# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2024-05-03T20:55:44+02:00
# Query:
# SELECT data.*
# FROM
#  data 
# WHERE
#  (status is null or status != 'retracted') and
#  (year = 2016 AND duplicateof IS NULL AND (status is NULL OR status != 'errors') AND (method is NULL OR method != 'theoretical'))
# ORDER BY file asc
file,a,siga,b,sigb,c,sigc,alpha,sigalpha,beta,sigbeta,gamma,siggamma,vol,sigvol,celltemp,sigcelltemp,diffrtemp,sigdiffrtemp,cellpressure,sigcellpressure,diffrpressure,sigdiffrpressure,thermalhist,pressurehist,compoundsource,nel,sg,sgHall,sgNumber,commonname,chemname,mineral,formula,calcformula,cellformula,Z,Zprime,acce_code,authors,title,journal,year,volume,issue,firstpage,lastpage,doi,method,radiation,wavelength,radType,radSymbol,Rall,Robs,Rref,wRall,wRobs,wRref,RFsqd,RI,gofall,gofobs,gofgt,gofref,duplicateof,optimal,status,flags,svnrevision,date,time,onhold
"1529430","18.646","0.002","12.596","0.0009","14.6475","0.0012","90","","112.453","0.011","90","","3179.4","0.5","290.92","0.1","290.92","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C36 H41 Na O6 -","- C36 H41 Na O6 -","- C144 H164 Na4 O24 -","4","1","","Dai, Zhongran; Sun, Yangyang; Xiong, Jiao; Pan, Xiaobo; Tang, Ning; Wu, Jincai","Simple sodium and potassium phenolates as catalysts for highly isoselective polymerization of rac-lactide","Catal. Sci. Technol.","2016","6","2","515","","10.1039/C5CY01194A","","","0.71073","MoKα","","0.2022","0.0784","","","0.143","0.2064","","","","","","0.988","","","","has coordinates","175859","2020-10-21","18:00:00",""
"1531039","14.3767","0.0009","24.3477","0.0016","24.5528","0.0014","90.131","0.002","93.427","0.003","91.09","0.003","8577.5","0.9","100","2","100","2","","","","","","","","5","P 1","P 1","1","","NR443-B","","- C70.45 H104.45 Cl13.38 N8 O12.05 -","- C70.4595 H104.46 Cl13.3785 N8 O12.053 -","- C281.838 H417.838 Cl53.514 N32 O48.212 -","4","4","","Rodríguez-Vázquez, Nuria; García-Fandiño, Rebeca; Amorín, Manuel; Granja, Juan R.","Self-assembling α,γ-cyclic peptides that generate cavities with tunable properties","Chem. Sci.","2016","7","1","183","","10.1039/C5SC03187G","","x-ray","0.71073","MoKα","","0.1402","0.0823","","","0.1987","0.2339","","","","","","1.016","","","","has coordinates,has disorder","175932","2020-10-21","18:00:00",""
"1532462","14.4834","0.001","6.1063","0.0005","16.8547","0.0012","90","","104.786","0.008","90","","1441.27","0.19","293","","293","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C16 H22 N2 O -","- C16 H22 N2 O -","- C64 H88 N8 O4 -","4","1","","Khalil, Khaled D.; Ibrahim, Enas I.; Al-Sagheer, Fakhreia A.","A novel, efficient, and recyclable biocatalyst for Michael addition reactions and its iron(iii) complex as promoter for alkyl oxidation reactions","Catal. Sci. Technol.","2016","6","5","1410","","10.1039/C5CY01034A","","","0.71075","MoKα","","","0.0481","","","","0.1645","","","","","","0.968","","","","has coordinates","177626","2020-10-21","18:00:00",""
"1532463","14.476","0.0006","6.097","0.00017","16.8438","0.0007","90","","104.788","0.0019","90","","1437.39","0.09","273","","273","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C15 H20 N2 O2 -","- C15 H20 N2 O2 -","- C60 H80 N8 O8 -","4","1","","Khalil, Khaled D.; Ibrahim, Enas I.; Al-Sagheer, Fakhreia A.","A novel, efficient, and recyclable biocatalyst for Michael addition reactions and its iron(iii) complex as promoter for alkyl oxidation reactions","Catal. Sci. Technol.","2016","6","5","1410","","10.1039/C5CY01034A","","","0.71075","MoKα","","","0.1067","","","","0.3238","","","","","","1.032","","","","has coordinates","177626","2020-10-21","18:00:00",""
"1532464","21.5645","0.0007","21.5645","0.0007","9.4379","0.0003","90","","90","","120","","3800.9","0.2","100","2","100","2","","","","","","","","5","P 6/m m m","-P 6 2","191","","VNU-10","","- C11 H10 Co N O4 -","- C11 H10 Co N O4 -","- C66 H60 Co6 N6 O24 -","6","0.25","","Tu, Thach N.; Nguyen, Khoa D.; Nguyen, Truong N.; Truong, Thanh; Phan, Nam T. S.","New topological Co2(BDC)2(DABCO) as a highly active heterogeneous catalyst for the amination of oxazoles via oxidative C‒H/N‒H couplings","Catal. Sci. Technol.","2016","6","5","1384","","10.1039/C5CY01145K","","","1.54178","CuKα","","0.0648","0.0524","","","0.139","0.1456","","","","","","1.129","","","","has coordinates","177628","2020-10-21","18:00:00",""
"1532467","26.261","0.003","5.162","0.0004","9.7804","0.001","90","","111.188","0.012","90","","1236.2","0.2","173","2","173","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C11 H7 F2 N3 O3 S -","- C11 H7 F2 N3 O3 S -","- C44 H28 F8 N12 O12 S4 -","4","1","","Zhang, Huatang; Liu, Ruochuan; Liu, Jie; Li, Lin; Wang, Ping; Yao, Shao Q.; Xu, Zhengtao; Sun, Hongyan","A minimalist fluorescent probe for differentiating Cys, Hcy and GSH in live cells","Chem. Sci.","2016","7","1","256","","10.1039/C5SC02431E","","","1.54178","CuKα","","0.0308","0.0293","","","0.0848","0.0857","","","","","","1.088","","","","has coordinates","175922","2020-10-21","18:00:00",""
"1532488","5.2396","0.0012","10.766","0.002","12.305","0.002","97.556","0.01","93.106","0.012","95.573","0.01","683.3","0.2","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","","","- C15 H10 Br N3 O2 -","- C15 H10 Br N3 O2 -","- C30 H20 Br2 N6 O4 -","2","1","","Vincent-Rocan, Jean-François; Ivanovich, Ryan A.; Clavette, Christian; Leckett, Kyle; Bejjani, Julien; Beauchemin, André M.","Cascade reactions of nitrogen-substituted isocyanates: a new tool in heterocyclic chemistry","Chem. Sci.","2016","7","1","315","","10.1039/C5SC03197D","","","0.71073","MoKα","","0.0419","0.0334","","","0.0846","0.0891","","","","","","1.031","","","","has coordinates,has disorder","175927","2020-10-21","18:00:00",""
"1532489","9.3536","0.0002","17.701","0.0004","9.8752","0.0002","90","","111.505","0.0012","90","","1521.2","0.06","200","2","200","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H15 N3 S -","- C18 H15 N3 S -","- C72 H60 N12 S4 -","4","1","","Vincent-Rocan, Jean-François; Ivanovich, Ryan A.; Clavette, Christian; Leckett, Kyle; Bejjani, Julien; Beauchemin, André M.","Cascade reactions of nitrogen-substituted isocyanates: a new tool in heterocyclic chemistry","Chem. Sci.","2016","7","1","315","","10.1039/C5SC03197D","","","0.71073","MoKα","","0.0497","0.0396","","","0.1047","0.1127","","","","","","1.033","","","","has coordinates,has disorder","175927","2020-10-21","18:00:00",""
"1532503","15.6926","0.0012","17.5019","0.0012","21.2042","0.0017","90","","110.633","0.0014","90","","5450.2","0.7","123","","123","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C38 H80 Fe2 O6 P2 Si8 -","- C38 H80 Fe2 O6 P2 Si8 -","- C152 H320 Fe8 O24 P8 Si32 -","4","1","","Sunada, Yusuke; Ishida, Shintaro; Hirakawa, Fumiya; Shiota, Yoshihito; Yoshizawa, Kazunari; Kanegawa, Shinji; Sato, Osamu; Nagashima, Hideo; Iwamoto, Takeaki","Persistent four-coordinate iron-centered radical stabilized by π-donation","Chem. Sci.","2016","7","1","191","","10.1039/C5SC02601F","","","0.71075","MoKα","","0.0829","0.0716","","","0.1764","0.1846","","","","","","1.092","","","","has coordinates","175939","2020-10-21","18:00:00",""
"1532504","9.4542","0.0008","11.3877","0.001","16.3807","0.0015","75.408","0.005","87.846","0.007","79.154","0.006","1676.1","0.3","123","","123","","","","","","","","","7","P -1","-P 1","2","","","","- C26 H52 Fe N O3 P Si4 -","- C26 H52 Fe N O3 P Si4 -","- C52 H104 Fe2 N2 O6 P2 Si8 -","2","1","","Sunada, Yusuke; Ishida, Shintaro; Hirakawa, Fumiya; Shiota, Yoshihito; Yoshizawa, Kazunari; Kanegawa, Shinji; Sato, Osamu; Nagashima, Hideo; Iwamoto, Takeaki","Persistent four-coordinate iron-centered radical stabilized by π-donation","Chem. Sci.","2016","7","1","191","","10.1039/C5SC02601F","","","0.71075","MoKα","","0.0328","0.0318","","","0.0845","0.0855","","","","","","1.069","","","","has coordinates","175939","2020-10-21","18:00:00",""
"1532505","11.1846","0.0009","11.2283","0.001","14.972","0.002","83.758","0.015","76.946","0.013","60.902","0.008","1600.5","0.3","123","","123","","","","","","","","","6","P -1","-P 1","2","","","","- C22 H49 Fe O3 P Si5 -","- C22 H49 Fe O3 P Si5 -","- C44 H98 Fe2 O6 P2 Si10 -","2","1","","Sunada, Yusuke; Ishida, Shintaro; Hirakawa, Fumiya; Shiota, Yoshihito; Yoshizawa, Kazunari; Kanegawa, Shinji; Sato, Osamu; Nagashima, Hideo; Iwamoto, Takeaki","Persistent four-coordinate iron-centered radical stabilized by π-donation","Chem. Sci.","2016","7","1","191","","10.1039/C5SC02601F","","","0.71075","MoKα","","0.0561","0.0444","","","0.0977","0.1048","","","","","","1.072","","","","has coordinates","175939","2020-10-21","18:00:00",""
"1532506","11.387","0.003","14.883","0.004","24.983","0.006","90","","90","","90","","4233.9","1.9","123","","123","","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C37 H56 Fe O3 P Si4 Sn -","- C37 H56 Fe O3 P Si4 Sn -","- C148 H224 Fe4 O12 P4 Si16 Sn4 -","4","1","","Sunada, Yusuke; Ishida, Shintaro; Hirakawa, Fumiya; Shiota, Yoshihito; Yoshizawa, Kazunari; Kanegawa, Shinji; Sato, Osamu; Nagashima, Hideo; Iwamoto, Takeaki","Persistent four-coordinate iron-centered radical stabilized by π-donation","Chem. Sci.","2016","7","1","191","","10.1039/C5SC02601F","","","0.71075","MoKα","","0.0741","0.0592","","","0.1244","0.1351","","","","","","1.089","","","","has coordinates","175939","2020-10-21","18:00:00",""
"1534126","7.2317","0.0005","11.2958","0.0007","32.232","0.002","90","","90","","90","","2633","0.3","150","2","150","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C16 H13 N O3 -","- C16 H13 N O3 -","- C128 H104 N8 O24 -","8","1","","Huang, Zheng; Askari, Mohammad S.; Esguerra, Kenneth Virgel N.; Dai, Tian-Yang; Kwon, Ohhyeon; Ottenwaelder, Xavier; Lumb, Jean-Philip","A bio-inspired synthesis of oxindoles by catalytic aerobic dual C‒H functionalization of phenols","Chem. Sci.","2016","7","1","358","","10.1039/C5SC02395E","","","0.71073","MoKα","","0.0437","0.0371","","","0.0943","0.099","","","","","","1.027","","","","has coordinates","175924","2020-10-21","18:00:00",""
"1534127","5.792","0.003","23.556","0.009","11.041","0.005","90","","113.83","0.03","90","","1378","1.1","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H15 N O3 -","- C17 H15 N O3 -","- C68 H60 N4 O12 -","4","1","","Huang, Zheng; Askari, Mohammad S.; Esguerra, Kenneth Virgel N.; Dai, Tian-Yang; Kwon, Ohhyeon; Ottenwaelder, Xavier; Lumb, Jean-Philip","A bio-inspired synthesis of oxindoles by catalytic aerobic dual C‒H functionalization of phenols","Chem. Sci.","2016","7","1","358","","10.1039/C5SC02395E","","","1.54178","CuKα","","0.0458","0.0392","","","0.1006","0.1056","","","","","","1.07","","","","has coordinates","175924","2020-10-21","18:00:00",""
"1534128","11.1595","0.0011","6.7253","0.0007","11.4275","0.0012","90","","103.413","0.001","90","","834.25","0.15","150","2","150","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C18 H19 N O5 -","- C18 H19 N O5 -","- C36 H38 N2 O10 -","2","1","","Huang, Zheng; Askari, Mohammad S.; Esguerra, Kenneth Virgel N.; Dai, Tian-Yang; Kwon, Ohhyeon; Ottenwaelder, Xavier; Lumb, Jean-Philip","A bio-inspired synthesis of oxindoles by catalytic aerobic dual C‒H functionalization of phenols","Chem. Sci.","2016","7","1","358","","10.1039/C5SC02395E","","","0.71073","MoKα","","0.0359","0.0334","","","0.0849","0.0872","","","","","","1.033","","","","has coordinates","175924","2020-10-21","18:00:00",""
"1534129","7.6287","0.0009","11.5801","0.0013","20.615","0.002","90","","90","","90","","1821.2","0.3","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C23 H19 N O4 -","- C23 H19 N O4 -","- C92 H76 N4 O16 -","4","1","","Huang, Zheng; Askari, Mohammad S.; Esguerra, Kenneth Virgel N.; Dai, Tian-Yang; Kwon, Ohhyeon; Ottenwaelder, Xavier; Lumb, Jean-Philip","A bio-inspired synthesis of oxindoles by catalytic aerobic dual C‒H functionalization of phenols","Chem. Sci.","2016","7","1","358","","10.1039/C5SC02395E","","","0.71073","MoKα","","0.0565","0.0391","","","0.0765","0.0829","","","","","","1.059","","","","has coordinates","175924","2020-10-21","18:00:00",""
"1534130","13.668","0.006","15.095","0.006","19.109","0.008","79.735","0.004","89.183","0.004","63.926","0.004","3475","3","150","2","150","2","","","","","","","","8","P -1","-P 1","2","","","","- C54.5 H79 Cl5 Cu2 F12 N6 O6 Sb2 -","- C54.5 H79 Cl5 Cu2 F12 N6 O6 Sb2 -","- C109 H158 Cl10 Cu4 F24 N12 O12 Sb4 -","2","1","","Huang, Zheng; Askari, Mohammad S.; Esguerra, Kenneth Virgel N.; Dai, Tian-Yang; Kwon, Ohhyeon; Ottenwaelder, Xavier; Lumb, Jean-Philip","A bio-inspired synthesis of oxindoles by catalytic aerobic dual C‒H functionalization of phenols","Chem. Sci.","2016","7","1","358","","10.1039/C5SC02395E","","","0.71073","MoKα","","0.1275","0.0567","","","0.1213","0.1484","","","","","","1","","","","has coordinates,has disorder","176429","2020-10-21","18:00:00",""
"1534131","7.553","0.005","12.357","0.007","12.549","0.008","83.18","0.04","74.39","0.02","84.51","0.04","1117.6","1.2","103","2","103","2","","","","","","","","4","P -1","-P 1","2","","","","- C64 H54 B2 O4 -","- C64 H54 B2 O4 -","- C64 H54 B2 O4 -","1","0.5","","Osumi, Shinichiro; Saito, Shohei; Dou, Chuandong; Matsuo, Kyohei; Kume, Keita; Yoshikawa, Hirofumi; Awaga, Kunio; Yamaguchi, Shigehiro","Boron-doped nanographene: Lewis acidity, redox properties, and battery electrode performance","Chem. Sci.","2016","7","1","219","","10.1039/C5SC02246K","","","0.71069","MoKα","","0.1813","0.0694","","","0.1185","0.1597","","","","","","0.947","","","","has coordinates","175928","2020-10-21","18:00:00",""
"1534132","11.769","0.012","14.134","0.013","23.62","0.02","84.13","0.03","87.54","0.02","84.78","0.02","3890","6","98","2","98","2","","","","","","","","4","P -1","-P 1","2","","","","- C96 H118 B2 O4 -","- C96 H118 B2 O4 -","- C192 H236 B4 O8 -","2","1","","Osumi, Shinichiro; Saito, Shohei; Dou, Chuandong; Matsuo, Kyohei; Kume, Keita; Yoshikawa, Hirofumi; Awaga, Kunio; Yamaguchi, Shigehiro","Boron-doped nanographene: Lewis acidity, redox properties, and battery electrode performance","Chem. Sci.","2016","7","1","219","","10.1039/C5SC02246K","","","0.7107","MoKα","","0.1791","0.1016","","","0.2431","0.3144","","","","","","1.064","","","","has coordinates","175928","2020-10-21","18:00:00",""
"1534133","15.4324","0.0012","29.3994","0.0018","21.2075","0.0013","90","","97.632","0.002","90","","9536.7","1.1","103","2","103","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C102 H130 B2 K3 N6 O18 -","- C102 H130 B2 K3 N6 O18 -","- C408 H520 B8 K12 N24 O72 -","4","1","","Osumi, Shinichiro; Saito, Shohei; Dou, Chuandong; Matsuo, Kyohei; Kume, Keita; Yoshikawa, Hirofumi; Awaga, Kunio; Yamaguchi, Shigehiro","Boron-doped nanographene: Lewis acidity, redox properties, and battery electrode performance","Chem. Sci.","2016","7","1","219","","10.1039/C5SC02246K","","","0.71075","MoKα","","0.106","0.088","","","0.2196","0.2351","","","","","","1.15","","","","has coordinates","175928","2020-10-21","18:00:00",""
"1534134","17.0469","0.0003","17.6986","0.0003","23.1757","0.0004","90","","99.4921","0.0009","90","","6896.5","0.2","123","2","123","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C88 H82 B2 N4 O4 -","- C88 H82 B2 N4 O4 -","- C352 H328 B8 N16 O16 -","4","1","","Osumi, Shinichiro; Saito, Shohei; Dou, Chuandong; Matsuo, Kyohei; Kume, Keita; Yoshikawa, Hirofumi; Awaga, Kunio; Yamaguchi, Shigehiro","Boron-doped nanographene: Lewis acidity, redox properties, and battery electrode performance","Chem. Sci.","2016","7","1","219","","10.1039/C5SC02246K","","","1.54187","CuKα","","0.0777","0.0555","","","0.142","0.1574","","","","","","1.063","","","","has coordinates,has disorder","175928","2020-10-21","18:00:00",""
"1534349","11.113","0.003","35.197","0.009","9.482","0.003","90","","102.084","0.007","90","","3626.6","1.8","293","","293","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","1,2,3-triol","(3R,4S,5S)-4-benzyloxy-2,2-dimethyl-5-tris(trimethylsilyl)siloxy-6-phenylhex-1-en-3-ol","","- C30 H54 O3 Si4 -","- C30 H54 O3 Si4 -","- C120 H216 O12 Si16 -","4","1","","Gati, Wafa; Yamamoto, Hisashi","A highly diastereoselective “super silyl” governed aldol reaction: synthesis of α,β-dioxyaldehydes and 1,2,3-triols","Chem. Sci.","2016","7","1","394","","10.1039/C5SC03307A","","","0.71075","MoKα","","","0.0847","","","","0.2172","","","","","","0.961","","","","has coordinates","214153","2020-10-21","18:00:00",""
"1534350","16.614","0.019","18.221","0.019","14.051","0.016","90","","105.69","0.02","90","","4095","8","173","","173","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","bissilyloxy aldehyde","(2R,3R)-2,3-bis(tris(trimethylsilyl)siloxy)-hexanal","","- C24 H64 O3 Si8 -","- C24 H64 O3 Si8 -","- C96 H256 O12 Si32 -","4","1","","Gati, Wafa; Yamamoto, Hisashi","A highly diastereoselective “super silyl” governed aldol reaction: synthesis of α,β-dioxyaldehydes and 1,2,3-triols","Chem. Sci.","2016","7","1","394","","10.1039/C5SC03307A","","","0.71075","MoKα","","","0.2228","","","","0.531","","","","","","1.285","","","","has coordinates","175923","2020-10-21","18:00:00",""
"1534393","11.1928","0.0019","21.893","0.004","32.961","0.006","90","","92.044","0.003","90","","8072","2","173.15","","173.15","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C86 H74 Cl4 F12 N6 O5 P2 -","- C86 H74 Cl4 F12 N6 O5 P2 -","- C344 H296 Cl16 F48 N24 O20 P8 -","4","1","","Wang, Han-Xiao; Meng, Zheng; Xiang, Jun-Feng; Xia, Yu-Xiang; Sun, Yihua; Hu, Shu-Zhen; Chen, Hui; Yao, Jiannian; Chen, Chuan-Feng","Guest-dependent directional complexation based on triptycene derived oxacalixarene: formation of oriented rotaxanes","Chem. Sci.","2016","7","1","469","","10.1039/C5SC03511B","","","0.71073","MoKα","","0.1526","0.1285","","","0.302","0.3181","","","","","","1.192","","","","has coordinates,has disorder","175916","2020-10-21","18:00:00",""
"1534394","11.354","0.002","17.925","0.004","30.835","0.006","103.44","0.03","93.42","0.03","103.76","0.03","5884","2","173.15","","173.15","","","","","","","","","7","P -1","-P 1","2","","","","- C106 H97 Cl21 F12 N6 O6 P2 -","- C106 H97 Cl21 F12 N6 O6 P2 -","- C212 H194 Cl42 F24 N12 O12 P4 -","2","1","","Wang, Han-Xiao; Meng, Zheng; Xiang, Jun-Feng; Xia, Yu-Xiang; Sun, Yihua; Hu, Shu-Zhen; Chen, Hui; Yao, Jiannian; Chen, Chuan-Feng","Guest-dependent directional complexation based on triptycene derived oxacalixarene: formation of oriented rotaxanes","Chem. Sci.","2016","7","1","469","","10.1039/C5SC03511B","","","0.71073","MoKα","","0.1317","0.1055","","","0.2671","0.2908","","","","","","1.124","","","","has coordinates,has disorder","175916","2020-10-21","18:00:00",""
"1534395","33.379","0.005","33.379","0.005","40.257","0.008","90","","90","","90","","44853","13","173.15","","173.15","","","","","","","","","6","I 41/a","-I 4ad","88","","","","- C99 H88 F6 N5 O7 P -","- C99 H88 F6 N5 O7 P -","- C1584 H1408 F96 N80 O112 P16 -","16","","","Wang, Han-Xiao; Meng, Zheng; Xiang, Jun-Feng; Xia, Yu-Xiang; Sun, Yihua; Hu, Shu-Zhen; Chen, Hui; Yao, Jiannian; Chen, Chuan-Feng","Guest-dependent directional complexation based on triptycene derived oxacalixarene: formation of oriented rotaxanes","Chem. Sci.","2016","7","1","469","","10.1039/C5SC03511B","","","0.71073","MoKα","","0.1898","0.1781","","","0.483","0.4905","","","","","","1.94","","","","has coordinates","175916","2020-10-21","18:00:00",""
"1534396","14.0049","0.0002","23.6564","0.0003","26.0431","0.0004","71.035","0.001","82.975","0.001","82.271","0.001","8057.2","0.2","180","2","180","2","","","","","","","","5","P -1","-P 1","2","","","","- C193 H178 Cl2 N8 O36 -","- C193 H178 Cl2 N8 O36 -","- C386 H356 Cl4 N16 O72 -","2","1","","Jarolímová, Zdeňka; Vishe, Mahesh; Lacour, Jérôme; Bakker, Eric","Potassium ion-selective fluorescent and pH independent nanosensors based on functionalized polyether macrocycles","Chem. Sci.","2016","7","1","525","","10.1039/C5SC03301B","","","1.54184","CuKα","","0.0691","0.0533","","","0.1522","0.1677","","","","","","0.996","","","","has coordinates","175919","2020-10-21","18:00:00",""
"1534397","13.8888","0.001","13.8888","0.001","25.754","0.004","90","","90","","120","","4302.3","0.8","296","2","296","2","","","","","","","","5","P 65","P 65","170","","","","- C30 H25 Cl3 N2 S2 -","- C30 H25 Cl3 N2 S2 -","- C180 H150 Cl18 N12 S12 -","6","1","","Chen, Jun-Feng; Gong, Dan-Ping; Wen, Jing; Ma, Haibo; Cao, Deng-Ke","2-(Anthracenyl)-4,5-bis(2,5-dimethyl(3-thienyl))-1H-imidazole: regulatable stacking structures, reversible grinding- and heating-induced emission switching, and solid-state photodimerization behavior","Chem. Sci.","2016","7","1","451","","10.1039/C5SC03201F","","","0.71073","MoKα","","0.1269","0.0631","","","0.1294","0.1637","","","","","","1.032","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1534398","22.178","0.006","7.454","0.002","18.052","0.005","90","","104.184","0.005","90","","2893.3","1.4","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C31 H32 N2 O2 S2 -","- C31 H32 N2 O2 S2 -","- C124 H128 N8 O8 S8 -","4","1","","Chen, Jun-Feng; Gong, Dan-Ping; Wen, Jing; Ma, Haibo; Cao, Deng-Ke","2-(Anthracenyl)-4,5-bis(2,5-dimethyl(3-thienyl))-1H-imidazole: regulatable stacking structures, reversible grinding- and heating-induced emission switching, and solid-state photodimerization behavior","Chem. Sci.","2016","7","1","451","","10.1039/C5SC03201F","","","0.71073","MoKα","","0.1235","0.0554","","","0.1208","0.1449","","","","","","1.055","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1534399","20.1561","0.0015","9.0577","0.0007","17.1173","0.0013","90","","93.287","0.001","90","","3119.9","0.4","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C32 H31 F3 N2 O4 S2 -","- C32 H31 F3 N2 O4 S2 -","- C128 H124 F12 N8 O16 S8 -","4","1","","Chen, Jun-Feng; Gong, Dan-Ping; Wen, Jing; Ma, Haibo; Cao, Deng-Ke","2-(Anthracenyl)-4,5-bis(2,5-dimethyl(3-thienyl))-1H-imidazole: regulatable stacking structures, reversible grinding- and heating-induced emission switching, and solid-state photodimerization behavior","Chem. Sci.","2016","7","1","451","","10.1039/C5SC03201F","","","0.71073","MoKα","","0.0587","0.0467","","","0.1601","0.1742","","","","","","1.021","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"1534400","18.22","0.005","12.964","0.004","24.265","0.007","90","","90","","90","","5731","3","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C64 H62 N6 O2 S4 -","- C64 H62 N6 O2 S4 -","- C256 H248 N24 O8 S16 -","4","0.5","","Chen, Jun-Feng; Gong, Dan-Ping; Wen, Jing; Ma, Haibo; Cao, Deng-Ke","2-(Anthracenyl)-4,5-bis(2,5-dimethyl(3-thienyl))-1H-imidazole: regulatable stacking structures, reversible grinding- and heating-induced emission switching, and solid-state photodimerization behavior","Chem. Sci.","2016","7","1","451","","10.1039/C5SC03201F","","","0.71073","MoKα","","0.1672","0.0698","","","0.147","0.1789","","","","","","1.032","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1536868","16.203","0.003","22.757","0.005","14.315","0.003","90","","104.77","0.03","90","","5104","1.9","293","2","293","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C44 H36 Cl3 Dy N4 O10 Zn2 -","- C44 H36 Cl3 Dy N4 O10 Zn2 -","- C176 H144 Cl12 Dy4 N16 O40 Zn8 -","4","0.5","","Sun, Wen-Bin; Yan, Peng-Fei; Jiang, Shang-Da; Wang, Bing-Wu; Zhang, Yi-Quan; Li, Hong-Feng; Chen, Peng; Wang, Zhe-Ming; Gao, Song","High symmetry or low symmetry, that is the question ‒ high performance Dy(iii) single-ion magnets by electrostatic potential design","Chem. Sci.","2016","7","1","684","","10.1039/C5SC02986D","","","0.71073","MoKα","","0.0528","0.0402","","","0.0922","0.0976","","","","","","1.037","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1536869","10.6898","0.0004","15.3759","0.0006","16.5328","0.0004","92.178","0.003","108.24","0.003","99.096","0.003","2537.31","0.16","293","2","293","2","","","","","","","","8","P -1","-P 1","2","","","","- C45 H40 Br3 Cl0 Dy N4 O12 Zn2 -","- C45 H40 Br3 Dy N4 O12 Zn2 -","- C90 H80 Br6 Dy2 N8 O24 Zn4 -","2","1","","Sun, Wen-Bin; Yan, Peng-Fei; Jiang, Shang-Da; Wang, Bing-Wu; Zhang, Yi-Quan; Li, Hong-Feng; Chen, Peng; Wang, Zhe-Ming; Gao, Song","High symmetry or low symmetry, that is the question ‒ high performance Dy(iii) single-ion magnets by electrostatic potential design","Chem. Sci.","2016","7","1","684","","10.1039/C5SC02986D","","","0.71073","MoKα","","0.0867","0.0684","","","0.1779","0.1924","","","","","","1.039","","","","has coordinates","175915","2020-10-21","18:00:00",""
"1536870","12.6367","0.0006","16.8613","0.0008","23.4058","0.0012","90","","104.117","0.005","90","","4836.5","0.4","180","0.1","180","0.1","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C88 H76 Br8 Dy2 N8 O18 Zn5 -","- C88 H76 Br8 Dy2 N8 O18 Zn5 -","- C176 H152 Br16 Dy4 N16 O36 Zn10 -","2","0.5","","Sun, Wen-Bin; Yan, Peng-Fei; Jiang, Shang-Da; Wang, Bing-Wu; Zhang, Yi-Quan; Li, Hong-Feng; Chen, Peng; Wang, Zhe-Ming; Gao, Song","High symmetry or low symmetry, that is the question ‒ high performance Dy(iii) single-ion magnets by electrostatic potential design","Chem. Sci.","2016","7","1","684","","10.1039/C5SC02986D","","","0.7107","MoKα","","0.0937","0.0517","","","0.1127","0.1346","","","","","","1.06","","","","has coordinates","175915","2020-10-21","18:00:00",""
"1536871","16.2823","0.0006","23.8976","0.001","14.0704","0.0006","90","","104.843","0.004","90","","5292.2","0.4","293","2","293","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C44 H48 Cl3 Dy N4 O8 Zn2 -","- C44 H48 Cl3 Dy N4 O8 Zn2 -","- C176 H192 Cl12 Dy4 N16 O32 Zn8 -","4","0.5","","Sun, Wen-Bin; Yan, Peng-Fei; Jiang, Shang-Da; Wang, Bing-Wu; Zhang, Yi-Quan; Li, Hong-Feng; Chen, Peng; Wang, Zhe-Ming; Gao, Song","High symmetry or low symmetry, that is the question ‒ high performance Dy(iii) single-ion magnets by electrostatic potential design","Chem. Sci.","2016","7","1","684","","10.1039/C5SC02986D","","","0.71073","MoKα","","0.0461","0.0366","","","0.0893","0.0947","","","","","","1.081","","","","has coordinates","175915","2020-10-21","18:00:00",""
"1536875","10.881","0.0016","19.554","0.003","29.442","0.004","90","","90","","90","","6264.3","1.6","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","3","","","- C66 H90 N2 O8 Zn2 -","- C66 H90 N2 O8 Zn2 -","- C264 H360 N8 O32 Zn8 -","4","0.5","","Glavinović, Martin; Qi, Feng; Katsenis, Athanassios D.; Friščić, Tomislav; Lumb, Jean-Philip","Redox-promoted associative assembly of metal‒organic materials","Chem. Sci.","2016","7","1","707","","10.1039/C5SC02214B","","","0.71073","MoKα","","0.1766","0.0825","","","0.1356","0.1631","","","","","","1.056","","","","has coordinates","175918","2020-10-21","18:00:00",""
"1536876","10.671","0.005","19.665","0.009","17.723","0.008","90","","97.137","0.007","90","","3690","3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C38 H50 N2 O4 Zn -","- C38 H50 N2 O4 Zn -","- C152 H200 N8 O16 Zn4 -","4","1","","Glavinović, Martin; Qi, Feng; Katsenis, Athanassios D.; Friščić, Tomislav; Lumb, Jean-Philip","Redox-promoted associative assembly of metal‒organic materials","Chem. Sci.","2016","7","1","707","","10.1039/C5SC02214B","","","0.71073","MoKα","","0.2969","0.1078","","","0.1372","0.1933","","","","","","0.997","","","","has coordinates","175918","2020-10-21","18:00:00",""
"1536877","12.2437","0.0008","18.3841","0.0011","30.3846","0.0019","90","","90","","90","","6839.3","0.7","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","5","","","- C32 H46 N2 O4 Zn -","- C32 H46 N2 O4 Zn -","- C256 H368 N16 O32 Zn8 -","8","1","","Glavinović, Martin; Qi, Feng; Katsenis, Athanassios D.; Friščić, Tomislav; Lumb, Jean-Philip","Redox-promoted associative assembly of metal‒organic materials","Chem. Sci.","2016","7","1","707","","10.1039/C5SC02214B","","","0.71073","MoKα","","0.1263","0.0486","","","0.0931","0.1202","","","","","","0.992","","","","has coordinates","175918","2020-10-21","18:00:00",""
"1536878","10.6541","0.0009","19.7432","0.0017","17.8899","0.0015","90","","99.193","0.001","90","","3714.7","0.5","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","6","","","- C36 H52 N4 O4 Zn -","- C36 H52 N4 O4 Zn -","- C144 H208 N16 O16 Zn4 -","4","1","","Glavinović, Martin; Qi, Feng; Katsenis, Athanassios D.; Friščić, Tomislav; Lumb, Jean-Philip","Redox-promoted associative assembly of metal‒organic materials","Chem. Sci.","2016","7","1","707","","10.1039/C5SC02214B","","","0.71073","MoKα","","0.1079","0.0582","","","0.1371","0.163","","","","","","1.015","","","","has coordinates,has disorder","175918","2020-10-21","18:00:00",""
"1536879","10.404","0.003","32.256","0.008","13.672","0.003","90","","111.664","0.004","90","","4264.1","1.9","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C47 H56 N2 O4 Zn -","- C47 H56 N2 O4 Zn -","- C188 H224 N8 O16 Zn4 -","4","1","","Glavinović, Martin; Qi, Feng; Katsenis, Athanassios D.; Friščić, Tomislav; Lumb, Jean-Philip","Redox-promoted associative assembly of metal‒organic materials","Chem. Sci.","2016","7","1","707","","10.1039/C5SC02214B","","","0.71073","MoKα","","0.2885","0.0812","","","0.1753","0.2965","","","","","","0.818","","","","has coordinates,has disorder","175918","2020-10-21","18:00:00",""
"1536880","12.617","0.003","18.443","0.004","15.543","0.003","90","","102.81","0.03","90","","3526.8","1.4","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","9","","","- C76 H96 N2 O8 Zn2 -","- C76 H96 N2 O8 Zn2 -","- C152 H192 N4 O16 Zn4 -","2","0.5","","Glavinović, Martin; Qi, Feng; Katsenis, Athanassios D.; Friščić, Tomislav; Lumb, Jean-Philip","Redox-promoted associative assembly of metal‒organic materials","Chem. Sci.","2016","7","1","707","","10.1039/C5SC02214B","","","0.71073","MoKα","","0.2124","0.1127","","","0.301","0.3719","","","","","","1.062","","","","has coordinates","215051","2020-10-21","18:00:00",""
"1536881","7.6947","0.0009","13.1945","0.0015","27.271","0.003","90","","95.507","0.002","90","","2756","0.5","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","10","","","- C31 H36 N O2 Zn0.5 -","- C31 H36 N O2 Zn0.5 -","- C124 H144 N4 O8 Zn2 -","4","1","","Glavinović, Martin; Qi, Feng; Katsenis, Athanassios D.; Friščić, Tomislav; Lumb, Jean-Philip","Redox-promoted associative assembly of metal‒organic materials","Chem. Sci.","2016","7","1","707","","10.1039/C5SC02214B","","","0.71073","MoKα","","0.1315","0.0583","","","0.1168","0.1434","","","","","","1.001","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1536882","15.4724","0.0016","15.4781","0.0016","28.908","0.003","78.73","0.004","88.358","0.004","60.122","0.003","5867.8","1.1","100","2","100","2","","","","","","","","5","P -1","-P 1","2","11","","","- C127.8 H160.2 N3 O12 Zn3 -","- C118 H148.648 N3 O12 Zn3 -","- C236 H297.296 N6 O24 Zn6 -","2","1","","Glavinović, Martin; Qi, Feng; Katsenis, Athanassios D.; Friščić, Tomislav; Lumb, Jean-Philip","Redox-promoted associative assembly of metal‒organic materials","Chem. Sci.","2016","7","1","707","","10.1039/C5SC02214B","","","0.71073","MoKα","","0.1811","0.1496","","","0.3209","0.3344","","","","","","1.216","","","","has coordinates,has disorder","175918","2020-10-21","18:00:00",""
"1538431","15.8828","0.0018","6.8328","0.0008","13.9502","0.0016","90","","107.844","0.002","90","","1441.1","0.3","200","2","200","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C17 H8 N2 O3 S -","- C17 H8 N2 O3 S -","- C68 H32 N8 O12 S4 -","4","1","","Tseng, Huan-Wei; Shen, Jiun-Yi; Kuo, Ting-Yi; Tu, Ting-Syun; Chen, Yi-An; Demchenko, Alexander P.; Chou, Pi-Tai","Excited-state intramolecular proton-transfer reaction demonstrating anti-Kasha behavior","Chem. Sci.","2016","7","1","655","","10.1039/C5SC01945A","","","0.71073","MoKα","","0.1021","0.0669","","","0.162","0.2021","","","","","","1.09","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1539136","12.6986","0.001","12.8906","0.0013","14.9043","0.0016","90.191","0.009","108.659","0.008","92.048","0.007","2309.7","0.4","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","","","- C45 H56 Cl2 N8 O5 Zn -","- C45 H56 Cl2 N8 O5 Zn -","- C90 H112 Cl4 N16 O10 Zn2 -","2","1","","Yu, Chun-Yue; Chuang, Hui-Ju; Ko, Bao-Tsan","Bimetallic bis(benzotriazole iminophenolate) cobalt, nickel and zinc complexes as versatile catalysts for coupling of carbon dioxide with epoxides and copolymerization of phthalic anhydride with cyclohexene oxide","Catal. Sci. Technol.","2016","6","6","1779","","10.1039/C5CY01290B","","","1.54184","CuKα","","0.1248","0.102","","","0.2717","0.3093","","","","","","1.009","","","","has coordinates","181522","2020-10-21","18:00:00",""
"1540023","30.518","0.002","31.449","0.002","54.722","0.004","81.113","0.004","76.27","0.004","68.114","0.004","47215","6","100","2","100","2","","","","","","","","9","P -1","-P 1","2","","","","- C625 H509 B25 Cd12 F142 N145 O3 P7 Ru4 -","- C625 H507 B5 Cd12 F26 N145 O3 P Ru4 -","- C1250 H1014 B10 Cd24 F52 N290 O6 P2 Ru8 -","2","1","","Metherell, Alexander J.; Ward, Michael D.","Imposing control on self-assembly: rational design and synthesis of a mixed-metal, mixed-ligand coordination cage containing four types of component","Chem. Sci.","2016","7","2","910","","10.1039/C5SC03526K","","","1.54178","CuKα","","0.2488","0.1639","","","0.3963","0.4363","","","","","","1.251","","","","has coordinates","175912","2020-10-21","18:00:00",""
"1540026","8.8558","0.0002","19.929","0.0004","19.9303","0.0004","61.0439","0.0008","87.8491","0.0008","84.3858","0.0011","3062.77","0.11","123","","123.15","","","","","","","","","6","P -1","-P 1","2","","","","- C35 H23 N2 O6 P W -","- C35 H23 N2 O6 P W -","- C140 H92 N8 O24 P4 W4 -","4","2","","Klein, Melina; Schnakenburg, Gregor; Espinosa Ferao, Arturo; Streubel, Rainer","Rearrangement and deoxygenation of 3,3-bis(2-pyridyl)oxaphosphirane complexes.","Dalton transactions (Cambridge, England : 2003)","2016","45","5","2085","2094","10.1039/c5dt03404c","","","0.71073","MoKα","","0.0793","0.0385","","","0.0771","0.0865","","","","","","0.934","","","","has coordinates","176078","2020-10-21","18:00:00",""
"1540027","21.2057","0.0004","52.0922","0.001","9.9308","0.0002","90","","90","","90","","10970.1","0.4","123","","123","2","","","","","","","","7","F d d 2","F 2 -2d","43","","","","- C23 H27 Cr N2 O6 P Si2 -","- C23 H27 Cr N2 O6 P Si2 -","- C368 H432 Cr16 N32 O96 P16 Si32 -","16","1","","Klein, Melina; Schnakenburg, Gregor; Espinosa Ferao, Arturo; Streubel, Rainer","Rearrangement and deoxygenation of 3,3-bis(2-pyridyl)oxaphosphirane complexes.","Dalton transactions (Cambridge, England : 2003)","2016","45","5","2085","2094","10.1039/c5dt03404c","","","0.71073","MoKα","","0.0225","0.0217","","","0.0583","0.0586","","","","","","1.045","","","","has coordinates","176078","2020-10-21","18:00:00",""
"1540028","8.7858","0.0008","10.8025","0.001","17.9022","0.0015","77.25","0.003","86.378","0.004","66.964","0.003","1524.5","0.2","100","","100","","","","","","","","","9","P -1","-P 1","2","","","","- C23 H27 Cl2 N2 O5 P Si2 W Zn -","- C23 H27 Cl2 N2 O5 P Si2 W Zn -","- C46 H54 Cl4 N4 O10 P2 Si4 W2 Zn2 -","2","1","","Klein, Melina; Schnakenburg, Gregor; Espinosa Ferao, Arturo; Streubel, Rainer","Rearrangement and deoxygenation of 3,3-bis(2-pyridyl)oxaphosphirane complexes.","Dalton transactions (Cambridge, England : 2003)","2016","45","5","2085","2094","10.1039/c5dt03404c","","","0.71073","MoKα","","0.0423","0.0309","","","0.0638","0.0672","","","","","","1.045","","","","has coordinates","176078","2020-10-21","18:00:00",""
"1540034","8.8018","0.0015","9.2775","0.0016","11.3673","0.0019","82.433","0.002","68.031","0.002","67.635","0.002","796","0.2","296","","296","","","","","","","","","6","P -1","-P 1","2","","","","- C32 H28 F6 N8 O4 Zn -","- C32 H28 F6 N8 O4 Zn -","- C32 H28 F6 N8 O4 Zn -","1","0.5","","Nakatake, Daiki; Yokote, Yuki; Matsushima, Yoshimasa; Yazaki, Ryo; Ohshima, Takashi","A highly stable but highly reactive zinc catalyst for transesterification supported by a bis(imidazole) ligand","Green Chem.","2016","18","6","1524","","10.1039/C5GC02056E","","","0.71075","MoKα","","0.0265","0.0264","","","0.0723","0.0726","","","","","","0.966","","","","has coordinates","181749","2020-10-21","18:00:00",""
"1540035","14.5768","0.0012","8.9341","0.0007","15.9047","0.0013","90","","103.294","0.001","90","","2015.8","0.3","296","","296","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C40 H44 F6 N8 O4 Zn -","- C40 H44 F6 N8 O4 Zn -","- C80 H88 F12 N16 O8 Zn2 -","2","0.5","","Nakatake, Daiki; Yokote, Yuki; Matsushima, Yoshimasa; Yazaki, Ryo; Ohshima, Takashi","A highly stable but highly reactive zinc catalyst for transesterification supported by a bis(imidazole) ligand","Green Chem.","2016","18","6","1524","","10.1039/C5GC02056E","","","0.71075","MoKα","","0.0386","0.037","","","0.1","0.102","","","","","","1.06","","","","has coordinates","181749","2020-10-21","18:00:00",""
"1540036","9.7675","0.0012","11.262","0.0014","11.576","0.0014","98.815","0.001","107.953","0.001","112.944","0.001","1059.8","0.2","296","","296","","","","","","","","","6","P -1","-P 1","2","","","","- C18 H14 F6 N4 O4 Zn -","- C18 H14 F6 N4 O4 Zn -","- C36 H28 F12 N8 O8 Zn2 -","2","1","","Nakatake, Daiki; Yokote, Yuki; Matsushima, Yoshimasa; Yazaki, Ryo; Ohshima, Takashi","A highly stable but highly reactive zinc catalyst for transesterification supported by a bis(imidazole) ligand","Green Chem.","2016","18","6","1524","","10.1039/C5GC02056E","","","0.71075","MoKα","","0.0269","0.0256","","","0.0663","0.0681","","","","","","1.066","","","","has coordinates","181749","2020-10-21","18:00:00",""
"1540182","12.657","0.0012","17.3227","0.0016","13.6878","0.0013","90","","91.065","0.004","90","","3000.6","0.5","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C28 H20 B2 Cu2 Mn4 O8 -","- C28 H20 B2 Cu2 Mn4 O8 -","- C112 H80 B8 Cu8 Mn16 O32 -","4","1","","Braunschweig, Holger; Ewing, William C.; Ghosh, Sundargopal; Kramer, Thomas; Mattock, James D.; Östreicher, Sebastian; Vargas, Alfredo; Werner, Christine","Trimetallaborides as starting points for the syntheses of large metal-rich molecular borides and clusters","Chem. Sci.","2016","7","1","109","","10.1039/C5SC03206G","","","0.71073","MoKα","","0.0396","0.0308","","","0.0743","0.078","","","","","","1.033","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1540183","17.4662","0.0013","12.1607","0.0009","15.4013","0.0018","90","","119.822","0.002","90","","2838.1","0.4","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C28 H20 Au2 B2 Mn4 O8 -","- C28 H20 Au2 B2 Mn4 O8 -","- C112 H80 Au8 B8 Mn16 O32 -","4","0.5","","Braunschweig, Holger; Ewing, William C.; Ghosh, Sundargopal; Kramer, Thomas; Mattock, James D.; Östreicher, Sebastian; Vargas, Alfredo; Werner, Christine","Trimetallaborides as starting points for the syntheses of large metal-rich molecular borides and clusters","Chem. Sci.","2016","7","1","109","","10.1039/C5SC03206G","","","0.71073","MoKα","","0.0195","0.0167","","","0.04","0.0409","","","","","","1.039","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1540184","11.174","0.0008","11.176","0.0008","19.8602","0.0014","83.931","0.002","83.831","0.002","75.995","0.002","2384.3","0.3","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C50 H76 B Cu Mn2 O4 P2 Pt -","- C50 H76 B Cu Mn2 O4 P2 Pt -","- C100 H152 B2 Cu2 Mn4 O8 P4 Pt2 -","2","1","","Braunschweig, Holger; Ewing, William C.; Ghosh, Sundargopal; Kramer, Thomas; Mattock, James D.; Östreicher, Sebastian; Vargas, Alfredo; Werner, Christine","Trimetallaborides as starting points for the syntheses of large metal-rich molecular borides and clusters","Chem. Sci.","2016","7","1","109","","10.1039/C5SC03206G","","","0.71073","MoKα","","0.068","0.0428","","","0.0869","0.0966","","","","","","0.992","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"1540185","12.516","0.002","13.405","0.003","19.099","0.004","100.262","0.005","97.963","0.005","95.107","0.005","3101.4","1.1","100","2","100","2","","","","","","","","9","P -1","-P 1","2","","","","- C70 H83 B Cu Mn2 N2 O4 P Pt -","- C70 H83 B Cu Mn2 N2 O4 P Pt -","- C140 H166 B2 Cu2 Mn4 N4 O8 P2 Pt2 -","2","1","","Braunschweig, Holger; Ewing, William C.; Ghosh, Sundargopal; Kramer, Thomas; Mattock, James D.; Östreicher, Sebastian; Vargas, Alfredo; Werner, Christine","Trimetallaborides as starting points for the syntheses of large metal-rich molecular borides and clusters","Chem. Sci.","2016","7","1","109","","10.1039/C5SC03206G","","","0.71073","MoKα","","0.0642","0.041","","","0.0839","0.0913","","","","","","1.117","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"1540186","20.1366","0.0014","18.5935","0.0012","28.856","0.002","90","","95.5214","0.0019","90","","10753.8","1.3","100","2","100","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C138 H112 Cu2 N4 S -","- C138 H112 Cu2 N4 S -","- C552 H448 Cu8 N16 S4 -","4","1","","Zhai, Junjie; Filatov, Alexander S.; Hillhouse, Gregory L.; Hopkins, Michael D.","Synthesis, structure, and reactions of a copper‒sulfido cluster comprised of the parent Cu2S unit: {(NHC)Cu}2(μ-S)","Chem. Sci.","2016","7","1","589","","10.1039/C5SC03258J","","","0.71073","MoKα","","0.0648","0.0549","","","0.134","0.14","","","","","","1.076","","","","has coordinates,has disorder","175926","2020-10-21","18:00:00",""
"1540187","12.65","0.003","18.177","0.005","23.842","0.006","90","","91.587","0.003","90","","5480","2","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C70 H59 Cl2 Cu N2 S -","- C70 H59 Cl2 Cu N2 S -","- C280 H236 Cl8 Cu4 N8 S4 -","4","1","","Zhai, Junjie; Filatov, Alexander S.; Hillhouse, Gregory L.; Hopkins, Michael D.","Synthesis, structure, and reactions of a copper‒sulfido cluster comprised of the parent Cu2S unit: {(NHC)Cu}2(μ-S)","Chem. Sci.","2016","7","1","589","","10.1039/C5SC03258J","","","0.71073","MoKα","","0.1443","0.0833","","","0.1864","0.2134","","","","","","1.056","","","","has coordinates","175926","2020-10-21","18:00:00",""
"1540188","12.6538","0.001","10.6947","0.0009","19.3375","0.0015","90","","90","","90","","2616.9","0.4","100","2","100","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C27 H37 Cu N2 S -","- C27 H37 Cu N2 S -","- C108 H148 Cu4 N8 S4 -","4","0.5","","Zhai, Junjie; Filatov, Alexander S.; Hillhouse, Gregory L.; Hopkins, Michael D.","Synthesis, structure, and reactions of a copper‒sulfido cluster comprised of the parent Cu2S unit: {(NHC)Cu}2(μ-S)","Chem. Sci.","2016","7","1","589","","10.1039/C5SC03258J","","","0.71073","MoKα","","0.0606","0.0561","","","0.126","0.1284","","","","","","1.04","","","","has coordinates","175926","2020-10-21","18:00:00",""
"1540189","6.3072","0.0001","12.4643","0.0003","12.5184","0.0003","101.141","0.001","100.174","0.001","103.802","0.0012","911.73","0.04","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C15 H31 B2 N O4 -","- C15 H31 B2 N O4 -","- C30 H62 B4 N2 O8 -","2","1","","Weetman, Catherine; Anker, Mathew D.; Arrowsmith, Merle; Hill, Michael S.; Kociok-Köhn, Gabriele; Liptrot, David J.; Mahon, Mary F.","Magnesium-catalysed nitrile hydroboration","Chem. Sci.","2016","7","1","628","","10.1039/C5SC03114A","","","0.71073","MoKα","","0.0613","0.0495","","","0.1087","0.1137","","","","","","1.093","","","","has coordinates","175936","2020-10-21","18:00:00",""
"1540190","12.741","0.0002","12.948","0.0002","20.76","0.0003","90","","92.575","0.001","90","","3421.33","0.09","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C37 H49 Mg N3 O -","- C37 H49 Mg N3 O -","- C148 H196 Mg4 N12 O4 -","4","1","","Weetman, Catherine; Anker, Mathew D.; Arrowsmith, Merle; Hill, Michael S.; Kociok-Köhn, Gabriele; Liptrot, David J.; Mahon, Mary F.","Magnesium-catalysed nitrile hydroboration","Chem. Sci.","2016","7","1","628","","10.1039/C5SC03114A","","","0.71073","MoKα","","0.0837","0.0569","","","0.1247","0.1347","","","","","","1.114","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1540191","22.747","0.0002","13.264","0.0001","24.917","0.0002","90","","115.512","0.001","90","","6784.83","0.11","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C74 H98 Mg2 N6 O2 -","- C74 H98 Mg2 N6 O2 -","- C296 H392 Mg8 N24 O8 -","4","1","","Weetman, Catherine; Anker, Mathew D.; Arrowsmith, Merle; Hill, Michael S.; Kociok-Köhn, Gabriele; Liptrot, David J.; Mahon, Mary F.","Magnesium-catalysed nitrile hydroboration","Chem. Sci.","2016","7","1","628","","10.1039/C5SC03114A","","","0.71073","MoKα","","0.1025","0.0561","","","0.1192","0.1405","","","","","","1.043","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1540192","13.7058","0.0002","13.1659","0.0002","22.9509","0.0003","90","","96.1775","0.0006","90","","4117.42","0.1","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C40 H64 B Mg N3 O -","- C40 H64 B Mg N3 O2 -","- C160 H256 B4 Mg4 N12 O8 -","4","1","","Weetman, Catherine; Anker, Mathew D.; Arrowsmith, Merle; Hill, Michael S.; Kociok-Köhn, Gabriele; Liptrot, David J.; Mahon, Mary F.","Magnesium-catalysed nitrile hydroboration","Chem. Sci.","2016","7","1","628","","10.1039/C5SC03114A","","","0.71073","MoKα","","0.0894","0.0498","","","0.1103","0.1273","","","","","","1.018","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1540193","12.3279","0.0005","30.1877","0.0009","26.5175","0.0011","90","","102.622","0.002","90","","9630","0.6","150","2","150","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C102 H132 B Mg2 N6 O2 -","- C102 H132 B Mg2 N6 O2 -","- C408 H528 B4 Mg8 N24 O8 -","4","1","","Weetman, Catherine; Anker, Mathew D.; Arrowsmith, Merle; Hill, Michael S.; Kociok-Köhn, Gabriele; Liptrot, David J.; Mahon, Mary F.","Magnesium-catalysed nitrile hydroboration","Chem. Sci.","2016","7","1","628","","10.1039/C5SC03114A","","","0.71073","MoKα","","0.1638","0.0804","","","0.1714","0.211","","","","","","1.015","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"1540390","37.115","0.008","37.115","0.008","8.929","0.0019","90","","90","","120","","10652","4","103","2","103","2","","","","","","","","2","R -3 :H","-R 3","148","","","","- C66 H56 -","- C66 H56 -","- C594 H504 -","9","0.5","","Maekawa, Takehisa; Ueno, Hiroshi; Segawa, Yasutomo; Haley, Michael M.; Itami, Kenichiro","Synthesis of open-shell ladder π-systems by catalytic C‒H annulation of diarylacetylenes","Chem. Sci.","2016","7","1","650","","10.1039/C5SC03391H","","","0.71075","MoKα","","0.0951","0.056","","","0.1134","0.1371","","","","","","1.059","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1540391","14.623","0.006","14.269","0.005","15.12","0.006","90","","109.197","0.007","90","","2979","2","103","2","103","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C84 H72 O2 -","- C84 H72 O2 -","- C168 H144 O4 -","2","0.5","","Maekawa, Takehisa; Ueno, Hiroshi; Segawa, Yasutomo; Haley, Michael M.; Itami, Kenichiro","Synthesis of open-shell ladder π-systems by catalytic C‒H annulation of diarylacetylenes","Chem. Sci.","2016","7","1","650","","10.1039/C5SC03391H","","","0.71075","MoKα","","0.1713","0.096","","","0.2429","0.2959","","","","","","0.957","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1540417","11.7833","0.0003","32.7044","0.001","13.6983","0.0004","90","","111.821","0.003","90","","4900.6","0.3","100","0.1","100","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C56 H73 Cl2 N2 P Ru -","- C56 H73 Cl2 N2 P Ru -","- C224 H292 Cl8 N8 P4 Ru4 -","4","1","","Yu, Baoyi; Luo, Zhixiong; Hamad, Fatma B.; Leus, Karen; van Hecke, Kristof; Verpoort, Francis","Effect of the bulkiness of indenylidene moieties on the catalytic initiation and efficiency of second-generation ruthenium-based olefin metathesis catalysts","Catal. Sci. Technol.","2016","6","7","2092","","10.1039/C5CY01506E","","","1.5418","CuKα","","0.1128","0.056","","","0.0905","0.1062","","","","","","0.984","","","","has coordinates","181521","2020-10-21","18:00:00",""
"1540418","18.3485","0.0007","16.9164","0.0007","17.4629","0.0008","90","","100.428","0.004","90","","5330.8","0.4","100","2","100","0.1","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C61 H76 Cl2 F N2 P Ru -","- C61 H76 Cl2 F N2 P Ru -","- C244 H304 Cl8 F4 N8 P4 Ru4 -","4","1","","Yu, Baoyi; Luo, Zhixiong; Hamad, Fatma B.; Leus, Karen; van Hecke, Kristof; Verpoort, Francis","Effect of the bulkiness of indenylidene moieties on the catalytic initiation and efficiency of second-generation ruthenium-based olefin metathesis catalysts","Catal. Sci. Technol.","2016","6","7","2092","","10.1039/C5CY01506E","","","1.5418","CuKα","","0.1056","0.0586","","","0.1413","0.1688","","","","","","1.016","","","","has coordinates,has disorder","181521","2020-10-21","18:00:00",""
"1540419","14.15","0.0004","14.3631","0.0003","24.5735","0.0004","90","","90","","90","","4994.27","0.19","100","0.1","100","0.1","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C56 H73 Cl2 N2 P Ru -","- C56 H73 Cl2 N2 P Ru -","- C224 H292 Cl8 N8 P4 Ru4 -","4","1","","Yu, Baoyi; Luo, Zhixiong; Hamad, Fatma B.; Leus, Karen; van Hecke, Kristof; Verpoort, Francis","Effect of the bulkiness of indenylidene moieties on the catalytic initiation and efficiency of second-generation ruthenium-based olefin metathesis catalysts","Catal. Sci. Technol.","2016","6","7","2092","","10.1039/C5CY01506E","","","1.5418","CuKα","","0.0762","0.0488","","","0.0703","0.0795","","","","","","0.905","","","","has coordinates","181521","2020-10-21","18:00:00",""
"1540420","9.8165","0.0006","12.2268","0.001","14.5725","0.0012","100.954","0.007","94.518","0.006","103.585","0.006","1655.1","0.2","173","2","173.15","","","","","","","","","4","P -1","-P 1","2","","5-(methylsulfonyl)-2,3-diphenylbenzofuran","","- C21 H16 O3 S -","- C21 H16 O3 S -","- C84 H64 O12 S4 -","4","2","","Zhang, Yun; Lam, Jacky W. Y.; Tang, Ben Zhong","Palladium-catalyzed alkyne polyannulation of diphenols and unactivated internal diynes: a new synthetic route to functional heterocyclic polymers","Polym. Chem.","2016","7","2","330","","10.1039/C5PY01466B","","","1.5418","CuKα","","0.0823","0.0539","","","0.1251","0.1392","","","","","","1.001","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1540421","9.6299","0.001","4.8972","0.0005","42.482","0.005","90","","95.129","0.003","90","","1995.4","0.4","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","N-dodecyl thiophene fused isoindigo","(E)-4,4'-dichloro-5,5'-didodecyl-[7,7'-bithieno[2,3-f]indolylidene]-6,6'(5H,5'H)-dione","","- C44 H56 Cl2 N2 O2 S2 -","- C44 H56 Cl2 N2 O2 S2 -","- C88 H112 Cl4 N4 O4 S4 -","2","0.5","","Zhao, Na; Ai, Na; Cai, Mian; Wang, Xiao; Pei, Jian; Wan, Xiaobo","Thiophene-fused isoindigo based conjugated polymers for ambipolar organic field-effect transistors","Polym. Chem.","2016","7","1","235","","10.1039/C5PY01488C","","","0.71073","MoKα","","0.106","0.049","","","0.1255","0.1816","","","","","","1.086","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1540422","15.2293","0.0008","17.6141","0.0009","19.9261","0.001","110.314","0.001","90.518","0.001","114.615","0.001","4482.6","0.4","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","3-bromo-4-chloro-5-dodecyl-5H-thieno[2,3-f]indole-6,7-dione","","- C22 H27 Br Cl N O2 S -","- C22 H27 Br Cl N O2 S -","- C176 H216 Br8 Cl8 N8 O16 S8 -","8","4","","Zhao, Na; Ai, Na; Cai, Mian; Wang, Xiao; Pei, Jian; Wan, Xiaobo","Thiophene-fused isoindigo based conjugated polymers for ambipolar organic field-effect transistors","Polym. Chem.","2016","7","1","235","","10.1039/C5PY01488C","","","0.71073","MoKα","","0.0954","0.0453","","","0.0829","0.0956","","","","","","1.047","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"1540423","9.117","0.003","9.259","0.0018","16.283","0.003","86.352","0.001","86.17","0.001","69.853","0.003","1286.3","0.5","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C22 H25 Br2 N O2 S2 Si -","- C22 H25 Br2 N O2 S2 Si -","- C44 H50 Br4 N2 O4 S4 Si2 -","2","1","","Liu, Lijie; Song, Jinsheng; Lu, Heng; Wang, Hua; Bo, Zhishan","Novel dithienosilole-based conjugated copolymers and their application in bulk heterojunction solar cells","Polym. Chem.","2016","7","2","319","","10.1039/C5PY01427A","","","0.71073","MoKα","","0.0586","0.0427","","","0.1221","0.1326","","","","","","1.072","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1540424","12.979","0.01","12.411","0.009","15.532","0.012","90","","92.684","0.015","90","","2499","3","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H26 N2 S2 Si3 -","- C20 H26 N2 S2 Si3 -","- C80 H104 N8 S8 Si12 -","4","1","","Liu, Lijie; Song, Jinsheng; Lu, Heng; Wang, Hua; Bo, Zhishan","Novel dithienosilole-based conjugated copolymers and their application in bulk heterojunction solar cells","Polym. Chem.","2016","7","2","319","","10.1039/C5PY01427A","","","0.71073","MoKα","","0.0912","0.0462","","","0.106","0.1276","","","","","","1.005","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1540427","31.467","0.005","9.589","0.005","30.77","0.005","90","","91.556","0.005","90","","9281","5","100","2","100","2","","","","","","","","6","P 1 2/c 1","-P 2yc","13","","","","- C78 H96 Cl16 Fe2 N8 O18 -","- C78 H96 Cl16 Fe2 N8 O18 -","- C312 H384 Cl64 Fe8 N32 O72 -","4","1","","Sil, Debangsu; Dey, Soumyajit; Kumar, Amit; Bhowmik, Susovan; Rath, Sankar Prasad","Oxidation triggers extensive conjugation and unusual stabilization of two di-heme dication diradical intermediates: role of bridging group for electronic communication","Chem. Sci.","2016","7","2","1212","","10.1039/C5SC03120F","","","0.71069","MoKα","","0.1108","0.0679","","","0.1584","0.1791","","","","","","1.031","","","","has coordinates,has disorder","175898","2020-10-21","18:00:00",""
"1540428","15.165","0.005","18.236","0.005","15.623","0.005","90","0.005","103.044","0.005","90","0.005","4209","2","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C76 H92 Cl14 Fe4 N8 -","- C76 H92 Cl14 Fe4 N8 -","- C152 H184 Cl28 Fe8 N16 -","2","0.5","","Sil, Debangsu; Dey, Soumyajit; Kumar, Amit; Bhowmik, Susovan; Rath, Sankar Prasad","Oxidation triggers extensive conjugation and unusual stabilization of two di-heme dication diradical intermediates: role of bridging group for electronic communication","Chem. Sci.","2016","7","2","1212","","10.1039/C5SC03120F","","","0.71073","MoKα","","0.068","0.0489","","","0.1214","0.1332","","","","","","1.032","","","","has coordinates,has disorder","175898","2020-10-21","18:00:00",""
"1540429","3.6831","0.0002","25.8877","0.0019","16.8155","0.0011","90","","90","","90","","1603.31","0.18","293","2","293","2","","","","","","","","3","C m c m","-C 2c 2","63","","","","- K2 S7 Sn3 -","- K2 S7 Sn3 -","- K8 S28 Sn12 -","4","0.25","","Sarma, Debajit; Malliakas, Christos D.; Subrahmanyam, K. S.; Islam, Saiful M.; Kanatzidis, Mercouri G.","K2xSn4−xS8−x(x = 0.65‒1): a new metal sulfide for rapid and selective removal of Cs+, Sr2+and UO22+ions","Chem. Sci.","2016","7","2","1121","","10.1039/C5SC03040D","","","0.71073","MoKα","","0.0796","0.0749","","","0.2183","0.2237","","","","","","1.14","","","","has coordinates","175905","2020-10-21","18:00:00",""
"1540430","13.092","0.003","16.882","0.002","7.3748","0.0013","90","","98.1","0.015","90","","1613.7","0.5","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- K1.92 S7.04 Sn3.04 -","- K1.912 S7.041 Sn3.041 -","- K7.648 S28.164 Sn12.164 -","4","1","","Sarma, Debajit; Malliakas, Christos D.; Subrahmanyam, K. S.; Islam, Saiful M.; Kanatzidis, Mercouri G.","K2xSn4−xS8−x(x = 0.65‒1): a new metal sulfide for rapid and selective removal of Cs+, Sr2+and UO22+ions","Chem. Sci.","2016","7","2","1121","","10.1039/C5SC03040D","","","0.71073","MoKα","","0.141","0.1063","","","0.2807","0.31","","","","","","1.135","","","","has coordinates","175905","2020-10-21","18:00:00",""
"1540431","10.8398","0.0018","16.34","0.003","17.69","0.003","85.439","0.006","75.15","0.005","82.111","0.006","2996.8","0.9","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C72 H74 As N4 -","- C72 H74 As N4 -","- C144 H148 As2 N8 -","2","1","","Hinz, Alexander; Schulz, Axel; Villinger, Alexander","Zwitterionic and biradicaloid heteroatomic cyclopentane derivatives containing different group 15 elements","Chem. Sci.","2016","7","1","745","","10.1039/C5SC03515E","","","0.71073","MoKα","","0.1623","0.0596","","","0.1122","0.147","","","","","","0.965","","","","has coordinates,has disorder","175929","2020-10-21","18:00:00",""
"1540432","10.6316","0.0009","12.8458","0.001","20.4651","0.0017","85.732","0.004","82.704","0.005","66.749","0.004","2546.3","0.4","123","2","123","2","","","","","","","","5","P -1","-P 1","2","","","","- C60 H62 As N3 P -","- C60 H62 As0.9995 N3 P0.9999 -","- C120 H124 As1.999 N6 P1.9998 -","2","1","","Hinz, Alexander; Schulz, Axel; Villinger, Alexander","Zwitterionic and biradicaloid heteroatomic cyclopentane derivatives containing different group 15 elements","Chem. Sci.","2016","7","1","745","","10.1039/C5SC03515E","","","0.71073","MoKα","","0.0767","0.0576","","","0.1413","0.1486","","","","","","1.008","","","","has coordinates,has disorder","175929","2020-10-21","18:00:00",""
"1540433","10.6707","0.0005","12.7933","0.0006","20.5386","0.0009","85.861","0.003","82.563","0.003","67.099","0.002","2560.3","0.2","123","2","123","2","","","","","","","","5","P -1","-P 1","2","","","","- C60 H62 As N3 P -","- C60 H62 As0.9997 N3 P0.9997 -","- C120 H124 As1.9994 N6 P1.9994 -","2","1","","Hinz, Alexander; Schulz, Axel; Villinger, Alexander","Zwitterionic and biradicaloid heteroatomic cyclopentane derivatives containing different group 15 elements","Chem. Sci.","2016","7","1","745","","10.1039/C5SC03515E","","","0.71073","MoKα","","0.0881","0.0465","","","0.0934","0.1013","","","","","","0.877","","","","has coordinates,has disorder","175929","2020-10-21","18:00:00",""
"1540434","24.123","0.002","12.4043","0.0009","39.14","0.003","90","","106.871","0.003","90","","11207.8","1.5","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C65.25 H71.25 As N3 P2 -","- C65.252 H71.252 As N3 P2 -","- C522.016 H570.016 As8 N24 P16 -","8","2","","Hinz, Alexander; Schulz, Axel; Villinger, Alexander","Zwitterionic and biradicaloid heteroatomic cyclopentane derivatives containing different group 15 elements","Chem. Sci.","2016","7","1","745","","10.1039/C5SC03515E","","","0.71073","MoKα","","0.0897","0.0511","","","0.1059","0.1204","","","","","","1.005","","","","has coordinates,has disorder","175929","2020-10-21","18:00:00",""
"1540435","13.5212","0.0003","15.0131","0.0004","16.025","0.0002","90","","116.716","0.001","90","","2905.73","0.11","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C29 H37 Ir O P2 S2 -","- C29 H37 Ir O P2 S2 -","- C116 H148 Ir4 O4 P8 S8 -","4","1","","Doyle, Lauren E.; Piers, Warren E.; Borau-Garcia, Javier; Sgro, Michael J.; Spasyuk, Denis M.","Mechanistic studies on the addition of hydrogen to iridaepoxide complexes with subsequent elimination of water","Chem. Sci.","2016","7","2","921","","10.1039/C5SC03575A","","","0.71073","MoKα","","0.0348","0.0276","","","0.0632","0.0682","","","","","","1.044","","","","has coordinates","175906","2020-10-21","18:00:00",""
"1540436","12.8155","0.0007","14.1374","0.0008","19.4358","0.0011","105.409","0.002","103.594","0.002","93.729","0.002","3269","0.3","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C32.5 H40 Ir O2 P2 S2 -","- C32.5 H40 Ir O2 P2 S2 -","- C130 H160 Ir4 O8 P8 S8 -","4","2","","Doyle, Lauren E.; Piers, Warren E.; Borau-Garcia, Javier; Sgro, Michael J.; Spasyuk, Denis M.","Mechanistic studies on the addition of hydrogen to iridaepoxide complexes with subsequent elimination of water","Chem. Sci.","2016","7","2","921","","10.1039/C5SC03575A","","","1.54178","CuKα","","0.0382","0.0356","","","0.0894","0.0917","","","","","","1.031","","","","has coordinates","214153","2020-10-21","18:00:00",""
"1540437","14.5417","0.0003","11.2071","0.0002","22.7055","0.0005","90","","106.959","0.001","90","","3539.41","0.13","173","2","173","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C36 H44 Br Ir O P2 S2 -","- C36 H44 Br Ir O P2 S2 -","- C144 H176 Br4 Ir4 O4 P8 S8 -","4","1","","Doyle, Lauren E.; Piers, Warren E.; Borau-Garcia, Javier; Sgro, Michael J.; Spasyuk, Denis M.","Mechanistic studies on the addition of hydrogen to iridaepoxide complexes with subsequent elimination of water","Chem. Sci.","2016","7","2","921","","10.1039/C5SC03575A","","","1.54178","CuKα","","0.0214","0.0201","","","0.0491","0.0497","","","","","","1.073","","","","has coordinates","175906","2020-10-21","18:00:00",""
"1540438","12.4862","0.0003","13.6671","0.0005","23.602","0.0006","90","","118.383","0.002","90","","3543.52","0.19","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C36 H44 Cl3 Ir P2 S2 -","- C36 H44 Cl3 Ir P2 S2 -","- C144 H176 Cl12 Ir4 P8 S8 -","4","1","","Doyle, Lauren E.; Piers, Warren E.; Borau-Garcia, Javier; Sgro, Michael J.; Spasyuk, Denis M.","Mechanistic studies on the addition of hydrogen to iridaepoxide complexes with subsequent elimination of water","Chem. Sci.","2016","7","2","921","","10.1039/C5SC03575A","","","0.71073","MoKα","","0.0757","0.0552","","","0.1355","0.1511","","","","","","1.132","","","","has coordinates,has disorder","175906","2020-10-21","18:00:00",""
"1540439","29.3975","0.0005","17.9182","0.0003","23.5916","0.0006","90","","122.649","0.001","90","","10463.3","0.4","173","2","173","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C31 H36 Cl F6 Ir O6 P2 S4 -","- C31 H36 Cl F6 Ir O6 P2 S4 -","- C248 H288 Cl8 F48 Ir8 O48 P16 S32 -","8","1","","Doyle, Lauren E.; Piers, Warren E.; Borau-Garcia, Javier; Sgro, Michael J.; Spasyuk, Denis M.","Mechanistic studies on the addition of hydrogen to iridaepoxide complexes with subsequent elimination of water","Chem. Sci.","2016","7","2","921","","10.1039/C5SC03575A","","","1.54178","CuKα","","0.0635","0.0498","","","0.1303","0.1443","","","","","","1.02","","","","has coordinates","175906","2020-10-21","18:00:00",""
"1540440","27.4764","0.0005","20.4688","0.0004","18.4422","0.0004","90","","112.874","0.001","90","","9556.4","0.3","173","2","173","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C31 H38 Cl F6 Ir O7 P2 S4 -","- C31 H38 Cl F6 Ir O7 P2 S4 -","- C248 H304 Cl8 F48 Ir8 O56 P16 S32 -","8","1","","Doyle, Lauren E.; Piers, Warren E.; Borau-Garcia, Javier; Sgro, Michael J.; Spasyuk, Denis M.","Mechanistic studies on the addition of hydrogen to iridaepoxide complexes with subsequent elimination of water","Chem. Sci.","2016","7","2","921","","10.1039/C5SC03575A","","","1.54178","CuKα","","0.0437","0.0391","","","0.1051","0.1089","","","","","","1.037","","","","has coordinates,has disorder","175906","2020-10-21","18:00:00",""
"1540441","11.8013","0.0012","5.5827","0.0006","22.723","0.002","90","","100.092","0.002","90","","1473.9","0.3","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C15.19 H10.98 Ca O6 S -","- C15.108 H10.77 Ca O6 S -","- C60.432 H43.08 Ca4 O24 S4 -","4","1","","Banerjee, Debasis; Wang, Hao; Gong, Qihan; Plonka, Anna M.; Jagiello, Jacek; Wu, Haohan; Woerner, William R.; Emge, Thomas J.; Olson, David H.; Parise, John B.; Li, Jing","Direct structural evidence of commensurate-to-incommensurate transition of hydrocarbon adsorption in a microporous metal organic framework","Chem. Sci.","2016","7","1","759","","10.1039/C5SC03685B","","","0.71073","MoKα","","0.0643","0.0523","","","0.1177","0.1233","","","","","","1.002","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"1540442","11.7292","0.0013","5.5685","0.0006","22.792","0.003","90","","100.493","0.002","90","","1463.7","0.3","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C14.6 H9.36 Ca O6 S -","- C14.63 H9.44 Ca O6 S -","- C58.52 H37.76 Ca4 O24 S4 -","4","1","","Banerjee, Debasis; Wang, Hao; Gong, Qihan; Plonka, Anna M.; Jagiello, Jacek; Wu, Haohan; Woerner, William R.; Emge, Thomas J.; Olson, David H.; Parise, John B.; Li, Jing","Direct structural evidence of commensurate-to-incommensurate transition of hydrocarbon adsorption in a microporous metal organic framework","Chem. Sci.","2016","7","1","759","","10.1039/C5SC03685B","","","0.71073","MoKα","","0.057","0.0462","","","0.1037","0.1088","","","","","","1.042","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1540443","11.715","0.0006","5.5679","0.0003","22.8208","0.0011","90","","100.532","0.001","90","","1463.48","0.13","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C14.63 H9.47 Ca O6 S -","- C14.63 H9.47 Ca O6 S -","- C58.52 H37.88 Ca4 O24 S4 -","4","1","","Banerjee, Debasis; Wang, Hao; Gong, Qihan; Plonka, Anna M.; Jagiello, Jacek; Wu, Haohan; Woerner, William R.; Emge, Thomas J.; Olson, David H.; Parise, John B.; Li, Jing","Direct structural evidence of commensurate-to-incommensurate transition of hydrocarbon adsorption in a microporous metal organic framework","Chem. Sci.","2016","7","1","759","","10.1039/C5SC03685B","","","0.71073","MoKα","","0.0645","0.0618","","","0.1292","0.1309","","","","","","1.005","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1540444","11.8767","0.0011","5.5769","0.0005","22.486","0.002","90","","99.893","0.001","90","","1467.2","0.2","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C15.58 H11.8 Ca O6 S -","- C15.58 H11.792 Ca O6 S -","- C62.32 H47.168 Ca4 O24 S4 -","4","1","","Banerjee, Debasis; Wang, Hao; Gong, Qihan; Plonka, Anna M.; Jagiello, Jacek; Wu, Haohan; Woerner, William R.; Emge, Thomas J.; Olson, David H.; Parise, John B.; Li, Jing","Direct structural evidence of commensurate-to-incommensurate transition of hydrocarbon adsorption in a microporous metal organic framework","Chem. Sci.","2016","7","1","759","","10.1039/C5SC03685B","","","0.71073","MoKα","","0.056","0.047","","","0.1151","0.1192","","","","","","1.111","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1540445","11.7073","0.001","5.5647","0.0005","22.83","0.002","90","","100.586","0.001","90","","1462","0.2","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C14.5 H9.34 Ca O6 S -","- C14.501 H9.336 Ca O6 S -","- C58.004 H37.344 Ca4 O24 S4 -","4","1","","Banerjee, Debasis; Wang, Hao; Gong, Qihan; Plonka, Anna M.; Jagiello, Jacek; Wu, Haohan; Woerner, William R.; Emge, Thomas J.; Olson, David H.; Parise, John B.; Li, Jing","Direct structural evidence of commensurate-to-incommensurate transition of hydrocarbon adsorption in a microporous metal organic framework","Chem. Sci.","2016","7","1","759","","10.1039/C5SC03685B","","","0.71073","MoKα","","0.0439","0.0372","","","0.0904","0.0939","","","","","","1.054","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1540446","11.6426","0.0008","5.5574","0.0004","22.8446","0.0016","90","","100.681","0.001","90","","1452.5","0.18","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C15.31 H11.5 Ca O6 S -","- C15.311 H11.496 Ca O6 S -","- C61.244 H45.984 Ca4 O24 S4 -","4","1","","Banerjee, Debasis; Wang, Hao; Gong, Qihan; Plonka, Anna M.; Jagiello, Jacek; Wu, Haohan; Woerner, William R.; Emge, Thomas J.; Olson, David H.; Parise, John B.; Li, Jing","Direct structural evidence of commensurate-to-incommensurate transition of hydrocarbon adsorption in a microporous metal organic framework","Chem. Sci.","2016","7","1","759","","10.1039/C5SC03685B","","","0.71073","MoKα","","0.0349","0.0324","","","0.084","0.0857","","","","","","1.049","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1540447","11.6884","0.0005","5.5643","0.0002","22.8159","0.001","90","","100.691","0.004","90","","1458.14","0.11","100","1","100","1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C14.72 H9.79 Ca O6 S -","- C14.716 H9.79 Ca O6 S -","- C58.864 H39.16 Ca4 O24 S4 -","4","1","","Banerjee, Debasis; Wang, Hao; Gong, Qihan; Plonka, Anna M.; Jagiello, Jacek; Wu, Haohan; Woerner, William R.; Emge, Thomas J.; Olson, David H.; Parise, John B.; Li, Jing","Direct structural evidence of commensurate-to-incommensurate transition of hydrocarbon adsorption in a microporous metal organic framework","Chem. Sci.","2016","7","1","759","","10.1039/C5SC03685B","","x-ray","0.71073","MoKα","","0.0437","0.0346","","","0.0806","0.0858","","","","","","1.01","","","","has coordinates","175934","2020-10-21","18:00:00",""
"1540448","9.7329","0.0009","14.233","0.002","11.6251","0.0006","90","","106.694","0.006","90","","1542.5","0.3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Adduct of N-methylimidazole and 2-(4-nitrophenyl)benzo[d][1,3,2]dioxaborole","","- C16 H14 B N3 O4 -","- C16 H14 B N3 O4 -","- C64 H56 B4 N12 O16 -","4","1","","Luisier, N.; Scopelliti, R.; Severin, K.","Supramolecular gels based on boronate esters and imidazolyl donors.","Soft matter","2016","12","2","588","593","10.1039/c5sm02298c","","","0.71073","MoKα","","0.0677","0.0453","","","0.0979","0.1109","","","","","","1.108","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1540449","8.0935","0.0003","8.3643","0.0005","20.7488","0.0018","90","","94.35","0.006","90","","1400.57","0.16","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Adduct of N-methylimidazole and 2-phenylbenzo[d][1,3,2]dioxaborole","","- C16 H15 B N2 O2 -","- C16 H15 B N2 O2 -","- C64 H60 B4 N8 O8 -","4","1","","Luisier, N.; Scopelliti, R.; Severin, K.","Supramolecular gels based on boronate esters and imidazolyl donors.","Soft matter","2016","12","2","588","593","10.1039/c5sm02298c","","","0.71073","MoKα","","0.1295","0.1247","","","0.325","0.3266","","","","","","1.285","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1540450","6.049","0.0005","14.0088","0.0016","27.989","0.003","90","","90","","90","","2371.8","0.4","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","Adduct of N-methylimidazole and 2-([1,1'-biphenyl]-4-yl)benzo[d][1,3,2]dioxaborole","","- C29 H27 B N2 O2 -","- C29 H27 B N2 O2 -","- C116 H108 B4 N8 O8 -","4","1","","Luisier, N.; Scopelliti, R.; Severin, K.","Supramolecular gels based on boronate esters and imidazolyl donors.","Soft matter","2016","12","2","588","593","10.1039/c5sm02298c","","","0.71073","MoKα","","0.1215","0.0722","","","0.1474","0.1723","","","","","","1.109","","","","has coordinates","176210","2020-10-21","18:00:00",""
"1540451","11.0667","0.0004","14.2602","0.0005","11.2083","0.0005","90","","112.988","0.005","90","","1628.35","0.13","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Adduct of N-methylimidazole and 5,6-dichloro-2-phenylbenzo[d][1,3,2]dioxaborole","","- C16 H13 B Cl2 N2 O2 -","- C16 H13 B Cl2 N2 O2 -","- C64 H52 B4 Cl8 N8 O8 -","4","1","","Luisier, N.; Scopelliti, R.; Severin, K.","Supramolecular gels based on boronate esters and imidazolyl donors.","Soft matter","2016","12","2","588","593","10.1039/c5sm02298c","","","0.71073","MoKα","","0.065","0.0428","","","0.0961","0.1101","","","","","","1.041","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1540452","6.0264","0.0004","14.0749","0.0012","12.3126","0.001","90","","94.934","0.006","90","","1040.5","0.14","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","Adduct of N-methylimidazole and 5-methyl-2-phenylbenzo[d][1,3,2]dioxaborole","","- C24 H25 B N2 O2 -","- C24 H25 B N2 O2 -","- C48 H50 B2 N4 O4 -","2","1","","Luisier, N.; Scopelliti, R.; Severin, K.","Supramolecular gels based on boronate esters and imidazolyl donors.","Soft matter","2016","12","2","588","593","10.1039/c5sm02298c","","","0.71073","MoKα","","0.0561","0.043","","","0.0931","0.1008","","","","","","1.1","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"1540453","19.788","0.0017","6.095","0.0006","12.5928","0.0008","90","","90","","90","","1518.8","0.2","100","2","100","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","Adduct of N-methylimidazole and 4-(benzo[d][1,3,2]dioxaborol-2-yl)benzonitrile","","- C17 H14 B N3 O2 -","- C17 H14 B N3 O2 -","- C68 H56 B4 N12 O8 -","4","1","","Luisier, N.; Scopelliti, R.; Severin, K.","Supramolecular gels based on boronate esters and imidazolyl donors.","Soft matter","2016","12","2","588","593","10.1039/c5sm02298c","","","0.71073","MoKα","","0.039","0.0345","","","0.0824","0.0861","","","","","","1.061","","","","has coordinates","176210","2020-10-21","18:00:00",""
"1540454","8.9174","0.0018","9.1478","0.0019","11.846","0.002","92.804","0.003","110.458","0.003","116.89","0.002","782.3","0.3","173","2","173","2","","","","","","","","3","P -1","-P 1","2","","","","- C20 H14 S2 -","- C20 H14 S2 -","- C40 H28 S4 -","2","1","","Nell, Kara M.; Fontenot, Sean A.; Carter, Timothy G.; Warner, Marvin G.; Warner, Cynthia L.; Addleman, R. Shane; Johnson, Darren W.","Non-covalent functionalization of high-surface area nanomaterials: a new class of sorbent materials","Environ. Sci.: Nano","2016","3","1","138","","10.1039/C5EN00170F","","","0.71073","MoKα","","0.0512","0.0423","","","0.111","0.1193","","","","","","1.033","","","","has coordinates","177940","2020-10-21","18:00:00",""
"1540455","27.57803","0.00073","11.91923","0.00033","27.111","0.00073","90","0","95.085","0.0008","90","0","8876.6","0.4","100","2","100","2","","","","","","","Synthesized","6","C 1 2/c 1","-C 2yc","15","[(Fc2-NHC)2Au][Cl]","","","- C94 H100 Au2 Cl6 Fe4 N8 -","- C94 H100 Au2 Cl6 Fe4 N8 -","- C376 H400 Au8 Cl24 Fe16 N32 -","4","0.5","","Arambula, J. F.; McCall, R.; Sidoran, K. J.; Magda, D.; Mitchell, N. A.; Bielawski, C. W.; Lynch, V. M.; Sessler, J. L.; Arumugam, K.","Targeting Antioxidant Pathways with Ferrocenylated N-Heterocyclic Carbene Supported Gold(I) Complexes in A549 Lung Cancer Cells.","Chemical science (Royal Society of Chemistry : 2010)","2016","7","2","1245","1256","10.1039/C5SC03519H","","","0.71069","MoKα","","0.0522","0.0495","","","0.1294","0.1306","","","","","","1.204","","","","has coordinates,has disorder","177711","2020-10-21","18:00:00",""
"1540456","12.3866","0.00231","12.62423","0.00237","15.23356","0.00286","90.566","0.0045","98.3173","0.004","114.321","0.004","2141.5","0.7","100","2","100","2","","","","","","","synthesized","6","P -1","-P 1","2","[Fc2-NHC)2Au][I]","","","- C50 H48 Au Fe4 I N4 -","- C50 H48 Au Fe4 I N4 -","- C100 H96 Au2 Fe8 I2 N8 -","2","1","","Arambula, J. F.; McCall, R.; Sidoran, K. J.; Magda, D.; Mitchell, N. A.; Bielawski, C. W.; Lynch, V. M.; Sessler, J. L.; Arumugam, K.","Targeting Antioxidant Pathways with Ferrocenylated N-Heterocyclic Carbene Supported Gold(I) Complexes in A549 Lung Cancer Cells.","Chemical science (Royal Society of Chemistry : 2010)","2016","7","2","1245","1256","10.1039/C5SC03519H","","","0.71069","MoKα","","0.0724","0.0644","","","0.1832","0.1903","","","","","","1.049","","","","has coordinates,has disorder","177711","2020-10-21","18:00:00",""
"1540457","5.8762","0.0009","23.96","0.002","12.4969","0.0012","90","","91.956","0.01","90","","1758.5","0.4","150","2","150","2","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","","","- C31 H56 Cl2 N10 -","- C31 H56 Cl1.9999 N10 -","- C62 H112 Cl3.9998 N20 -","2","0.5","","Zambon, A.; Mouesca, J.-M.; Gheorghiu, C.; Bayle, P. A.; Pécaut, J.; Claeys-Bruno, M.; Gambarelli, S.; Dubois, L.","s-Heptazine oligomers: promising structural models for graphitic carbon nitride","Chem. Sci.","2016","7","2","945","","10.1039/C5SC02992A","","","0.71073","MoKα","","0.128","0.0788","","","0.2","0.2294","","","","","","1.051","","","","has coordinates,has disorder","175913","2020-10-21","18:00:00",""
"1540458","21.414","0.0019","11.9388","0.0009","25.308","0.002","90","","96.333","0.008","90","","6430.7","0.9","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C60 H91 N21 O4 -","- C60 H91 N21 O4 -","- C240 H364 N84 O16 -","4","1","","Zambon, A.; Mouesca, J.-M.; Gheorghiu, C.; Bayle, P. A.; Pécaut, J.; Claeys-Bruno, M.; Gambarelli, S.; Dubois, L.","s-Heptazine oligomers: promising structural models for graphitic carbon nitride","Chem. Sci.","2016","7","2","945","","10.1039/C5SC02992A","","","0.71073","MoKα","","0.1552","0.0677","","","0.118","0.1495","","","","","","1.005","","","","has coordinates,has disorder","175913","2020-10-21","18:00:00",""
"1540459","14.485","0.004","7.985","0.002","23.646","0.007","90","","106.418","0.006","90","","2623.4","1.3","100","0.5","100","0.5","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","jonsc01","(4-MeO-t-BuPOCOP)NiCl","","- C23 H41 Cl Ni O3 P2 -","- C23 H41 Cl Ni O3 P2 -","- C92 H164 Cl4 Ni4 O12 P8 -","4","1","","Ramakrishnan, Srinivasan; Chakraborty, Sumit; Brennessel, William W.; Chidsey, Christopher E. D.; Jones, William D.","Rapid oxidative hydrogen evolution from a family of square-planar nickel hydride complexes","Chem. Sci.","2016","7","1","117","","10.1039/C5SC03189C","","","0.71073","MoKα","","0.0934","0.0498","","","0.0939","0.1087","","","","","","1.024","","","","has coordinates,has disorder","175921","2020-10-21","18:00:00",""
"1540460","9.8433","0.0017","19.618","0.003","13.982","0.002","90","","105.052","0.004","90","","2607.4","0.7","100","0.5","100","0.5","","","","","","","","6","P 1 21/n 1","-P 2yn","14","jonsc05","(4-Me-t-BuPOCOP)NiCl","","- C23 H41 Cl Ni O2 P2 -","- C23 H41 Cl Ni O2 P2 -","- C92 H164 Cl4 Ni4 O8 P8 -","4","1","","Ramakrishnan, Srinivasan; Chakraborty, Sumit; Brennessel, William W.; Chidsey, Christopher E. D.; Jones, William D.","Rapid oxidative hydrogen evolution from a family of square-planar nickel hydride complexes","Chem. Sci.","2016","7","1","117","","10.1039/C5SC03189C","","","0.71073","MoKα","","0.0928","0.0485","","","0.0973","0.1123","","","","","","1.022","","","","has coordinates","175921","2020-10-21","18:00:00",""
"1540461","9.756","0.003","19.408","0.006","14.026","0.004","90","","104.528","0.006","90","","2570.8","1.3","100","0.5","100","0.5","","","","","","","","5","P 1 21/n 1","-P 2yn","14","jonsc04","(4-MeO-t-BuPOCOP)Ni-H","","- C23 H42 Ni O3 P2 -","- C23 H42 Ni O3 P2 -","- C92 H168 Ni4 O12 P8 -","4","1","","Ramakrishnan, Srinivasan; Chakraborty, Sumit; Brennessel, William W.; Chidsey, Christopher E. D.; Jones, William D.","Rapid oxidative hydrogen evolution from a family of square-planar nickel hydride complexes","Chem. Sci.","2016","7","1","117","","10.1039/C5SC03189C","","","0.71073","MoKα","","0.0949","0.0493","","","0.099","0.1152","","","","","","1.029","","","","has coordinates","175921","2020-10-21","18:00:00",""
"1540462","9.528","0.003","20.201","0.007","13.434","0.005","90","","100.908","0.007","90","","2539","1.5","100","0.5","100","0.5","","","","","","","","5","P 1 21/n 1","-P 2yn","14","jonsc03","(4-Me-t-BuPOCOP)Ni-H","","- C23 H42 Ni O2 P2 -","- C23 H42 Ni O2 P2 -","- C92 H168 Ni4 O8 P8 -","4","1","","Ramakrishnan, Srinivasan; Chakraborty, Sumit; Brennessel, William W.; Chidsey, Christopher E. D.; Jones, William D.","Rapid oxidative hydrogen evolution from a family of square-planar nickel hydride complexes","Chem. Sci.","2016","7","1","117","","10.1039/C5SC03189C","","","0.71073","MoKα","","0.0868","0.0571","","","0.1174","0.1264","","","","","","1.134","","","","has coordinates","175921","2020-10-21","18:00:00",""
"1540463","15.131","0.003","12.589","0.002","17.529","0.003","90","","106.717","0.004","90","","3197.9","1","100","0.5","100","0.5","","","","","","","hexane/MeOH","5","P 1 21/n 1","-P 2yn","14","jonsc02","(3,5-t-Bu2-t-BuPOCOP)Ni-H","","- C30 H56 Ni O2 P2 -","- C30 H56 Ni O2 P2 -","- C120 H224 Ni4 O8 P8 -","4","1","","Ramakrishnan, Srinivasan; Chakraborty, Sumit; Brennessel, William W.; Chidsey, Christopher E. D.; Jones, William D.","Rapid oxidative hydrogen evolution from a family of square-planar nickel hydride complexes","Chem. Sci.","2016","7","1","117","","10.1039/C5SC03189C","","","0.71073","MoKα","","0.0988","0.0527","","","0.1088","0.1271","","","","","","1.043","","","","has coordinates","175921","2020-10-21","18:00:00",""
"1540464","7.6473","0.0009","12.5571","0.0015","15.1719","0.0018","90","","92.552","0.002","90","","1455.5","0.3","100","0.5","100","0.5","","","","","","","","8","P 1 21/m 1","-P 2yb","11","jonsc15","[(4-Me-t-BuPOCOP)Ni-NCMe]+ [BF4]-","","- C25 H44 B F4 N Ni O2 P2 -","- C25 H44 B F4 N Ni O2 P2 -","- C50 H88 B2 F8 N2 Ni2 O4 P4 -","2","0.5","","Ramakrishnan, Srinivasan; Chakraborty, Sumit; Brennessel, William W.; Chidsey, Christopher E. D.; Jones, William D.","Rapid oxidative hydrogen evolution from a family of square-planar nickel hydride complexes","Chem. Sci.","2016","7","1","117","","10.1039/C5SC03189C","","","0.71073","MoKα","","0.0588","0.0389","","","0.0817","0.0896","","","","","","1.029","","","","has coordinates,has disorder","175921","2020-10-21","18:00:00",""
"1540467","9.9877","0.0005","15.1541","0.0007","10.2131","0.0006","90","","103.161","0.005","90","","1505.2","0.14","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H11 N3 O6 -","- C17 H11 N3 O6 -","- C68 H44 N12 O24 -","4","1","","Meazza, Marta; Light, Mark E.; Mazzanti, Andrea; Rios, Ramon","Synergistic catalysis: cis-cyclopropanation of benzoxazoles","Chem. Sci.","2016","7","2","984","","10.1039/C5SC03597J","","x-ray","0.71073","MoKα","","0.1725","0.1503","","","0.3307","0.3428","","","","","","1.08","","","","has coordinates","175903","2020-10-21","18:00:00",""
"1540485","10.278","0.002","15.524","0.004","18.474","0.004","90","","90","","90","","2947.6","1.1","103","2","103","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C29 H39 Cl O3 P2 Pd -","- C29 H39 Cl O3 P2 Pd -","- C116 H156 Cl4 O12 P8 Pd4 -","4","1","","Mitsushige, Yusuke; Carrow, Brad P.; Ito, Shingo; Nozaki, Kyoko","Ligand-controlled insertion regioselectivity accelerates copolymerisation of ethylene with methyl acrylate by cationic bisphosphine monoxide‒palladium catalysts","Chem. Sci.","2016","7","1","737","","10.1039/C5SC03361F","","","0.71075","MoKα","","0.0372","0.0363","","","0.1018","0.1027","","","","","","1.06","","","","has coordinates","175917","2020-10-21","18:00:00",""
"1540486","8.338","0.004","13.576","0.006","14.319","0.007","81.992","0.015","83.829","0.016","75.466","0.016","1549.2","1.3","93","","93","","","","","","","","","6","P -1","-P 1","2","","","","- C25 H45 F6 O3 P3 Pd -","- C25 H45 F6 O3 P3 Pd -","- C50 H90 F12 O6 P6 Pd2 -","2","1","","Mitsushige, Yusuke; Carrow, Brad P.; Ito, Shingo; Nozaki, Kyoko","Ligand-controlled insertion regioselectivity accelerates copolymerisation of ethylene with methyl acrylate by cationic bisphosphine monoxide‒palladium catalysts","Chem. Sci.","2016","7","1","737","","10.1039/C5SC03361F","","","0.71075","MoKα","","0.0997","0.0879","","","0.141","0.1469","","","","","","1.229","","","","has coordinates,has disorder","175917","2020-10-21","18:00:00",""
"1540487","8.2128","0.0013","22.725","0.004","20.504","0.004","90","","100.299","0.0019","90","","3765.1","1.2","93","","93","","","","","","","","","8","C 1 c 1","C -2yc","9","","","","- C31 H51 Cl2 F6 N O3 P3 Pd -","- C31 H51 Cl2 F6 N O3 P3 Pd -","- C124 H204 Cl8 F24 N4 O12 P12 Pd4 -","4","1","","Mitsushige, Yusuke; Carrow, Brad P.; Ito, Shingo; Nozaki, Kyoko","Ligand-controlled insertion regioselectivity accelerates copolymerisation of ethylene with methyl acrylate by cationic bisphosphine monoxide‒palladium catalysts","Chem. Sci.","2016","7","1","737","","10.1039/C5SC03361F","","","0.71075","MoKα","","0.0269","0.0256","","","0.0569","0.0581","","","","","","1.032","","","","has coordinates","175917","2020-10-21","18:00:00",""
"1540488","11.521","0.003","16.475","0.004","22.564","0.006","90","","99.836","0.004","90","","4219.9","1.9","93","","93","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C35 H47 Cl5 F6 O5 P3 Pd -","- C35 H47 Cl5 F6 O5 P3 Pd -","- C140 H188 Cl20 F24 O20 P12 Pd4 -","4","1","","Mitsushige, Yusuke; Carrow, Brad P.; Ito, Shingo; Nozaki, Kyoko","Ligand-controlled insertion regioselectivity accelerates copolymerisation of ethylene with methyl acrylate by cationic bisphosphine monoxide‒palladium catalysts","Chem. Sci.","2016","7","1","737","","10.1039/C5SC03361F","","","0.71075","MoKα","","0.0614","0.0572","","","0.1488","0.1522","","","","","","1.094","","","","has coordinates,has disorder","175917","2020-10-21","18:00:00",""
"1540489","14.361","0.003","22.678","0.005","25.532","0.006","90","","90","","90","","8315","3","93","","93","","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C38 H44 F12 N O3 P3 Pd -","- C38 H44 F12 N O3 P3 Pd -","- C304 H352 F96 N8 O24 P24 Pd8 -","8","1","","Mitsushige, Yusuke; Carrow, Brad P.; Ito, Shingo; Nozaki, Kyoko","Ligand-controlled insertion regioselectivity accelerates copolymerisation of ethylene with methyl acrylate by cationic bisphosphine monoxide‒palladium catalysts","Chem. Sci.","2016","7","1","737","","10.1039/C5SC03361F","","","0.71075","MoKα","","0.09","0.083","","","0.1731","0.177","","","","","","1.306","","","","has coordinates,has disorder","175917","2020-10-21","18:00:00",""
"1540492","8.2586","0.0009","15.8638","0.0017","9.4209","0.001","90","","113.19","0.001","90","","1134.5","0.2","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","{H3N(CH2)4NH3}[Fe2(C2O4)3](H2O)6","","","- C10 H26 Fe2 N2 O18 -","- C10 H26 Fe2 N2 O18 -","- C20 H52 Fe4 N4 O36 -","2","0.5","","Sadakiyo, Masaaki; Yamada, Teppei; Kato, Kenichi; Takata, Masaki; Kitagawa, Hiroshi","A significant change in selective adsorption behaviour for ethanol by flexibility control through the type of central metals in a metal‒organic framework","Chem. Sci.","2016","7","2","1349","","10.1039/C5SC03325J","","","0.71069","MoKα","","0.0205","0.0196","","","0.0529","0.0535","","","","","","1.048","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1540493","8.292","0.002","15.688","0.004","9.38","0.003","90","","114.8","0.001","90","","1107.7","0.5","113","2","113","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","{H3N(CH2)4NH3}[Mg2(C2O4)3](H2O)6","","","- C10 H26 Mg2 N2 O18 -","- C10 Mg2 N2 O18 -","- C20 Mg4 N4 O36 -","2","0.5","","Sadakiyo, Masaaki; Yamada, Teppei; Kato, Kenichi; Takata, Masaki; Kitagawa, Hiroshi","A significant change in selective adsorption behaviour for ethanol by flexibility control through the type of central metals in a metal‒organic framework","Chem. Sci.","2016","7","2","1349","","10.1039/C5SC03325J","","","0.7107","MoKα","","0.0839","0.0613","","","0.198","0.2502","","","","","","1.178","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1540494","7.3879","0.0004","15.852","0.001","41.261","0.003","90","","90.675","0.003","90","","4831.9","0.5","93","","93","","","","","","","","","2","P 1 21/n 1","-P 2yn","14","","5Me-[5]CMP","","- C35 H30 -","- C35 H30 -","- C280 H240 -","8","2","","Xue, Jing Yang; Izumi, Tomoo; Yoshii, Asami; Ikemoto, Koki; Koretsune, Takashi; Akashi, Ryosuke; Arita, Ryotaro; Taka, Hideo; Kita, Hiroshi; Sato, Sota; Isobe, Hiroyuki","Aromatic hydrocarbon macrocycles for highly efficient organic light-emitting devices with single-layer architectures","Chem. Sci.","2016","7","2","896","","10.1039/C5SC03807C","","","1.54187","CuKα","","0.0539","0.0494","","","0.1236","0.1274","","","","","","1.097","","","","has coordinates","175897","2020-10-21","18:00:00",""
"1540495","18.861","0.011","18.861","0.011","7.446","0.005","90","","90","","120","","2294","2","93","","93","","","","","","","","","3","R -3 :H","-R 3","148","","6Me-[6]CMP","","- C44 H39 N -","- C44 H39.0001 N -","- C132 H117 N3 -","3","0.166667","","Xue, Jing Yang; Izumi, Tomoo; Yoshii, Asami; Ikemoto, Koki; Koretsune, Takashi; Akashi, Ryosuke; Arita, Ryotaro; Taka, Hideo; Kita, Hiroshi; Sato, Sota; Isobe, Hiroyuki","Aromatic hydrocarbon macrocycles for highly efficient organic light-emitting devices with single-layer architectures","Chem. Sci.","2016","7","2","896","","10.1039/C5SC03807C","","","1.54187","CuKα","","0.0725","0.0517","","","0.1287","0.1494","","","","","","1.078","","","","has coordinates,has disorder","175897","2020-10-21","18:00:00",""
"1540496","29.026","0.006","7.501","0.0015","33.242","0.007","90","","104.96","0.03","90","","6992","3","100","2","100","2","","","","","","","","2","C 1 2/c 1","-C 2yc","15","","7Me-[7]CMP","","- C49 H42 -","- C49 H42 -","- C392 H336 -","8","1","","Xue, Jing Yang; Izumi, Tomoo; Yoshii, Asami; Ikemoto, Koki; Koretsune, Takashi; Akashi, Ryosuke; Arita, Ryotaro; Taka, Hideo; Kita, Hiroshi; Sato, Sota; Isobe, Hiroyuki","Aromatic hydrocarbon macrocycles for highly efficient organic light-emitting devices with single-layer architectures","Chem. Sci.","2016","7","2","896","","10.1039/C5SC03807C","","","0.75","synchrotron","","0.0919","0.072","","","0.1942","0.2118","","","","","","0.988","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1540497","14.3269","0.0011","17.0916","0.0012","42.481","0.003","90","","90","","90","","10402.3","1.3","93","","93","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","8Me-[8]CMP","","- C62.9 H62.9 Cl2.71 -","- C62.904 H62.904 Cl2.712 -","- C503.232 H503.232 Cl21.696 -","8","1","","Xue, Jing Yang; Izumi, Tomoo; Yoshii, Asami; Ikemoto, Koki; Koretsune, Takashi; Akashi, Ryosuke; Arita, Ryotaro; Taka, Hideo; Kita, Hiroshi; Sato, Sota; Isobe, Hiroyuki","Aromatic hydrocarbon macrocycles for highly efficient organic light-emitting devices with single-layer architectures","Chem. Sci.","2016","7","2","896","","10.1039/C5SC03807C","","","1.54187","CuKα","","0.0675","0.0618","","","0.1835","0.1884","","","","","","1.028","","","","has coordinates","175897","2020-10-21","18:00:00",""
"1540498","22.263","0.002","7.4477","0.0008","28.978","0.003","90","","109.502","0.003","90","","4529.1","0.8","93","","93","","","","","","","","","2","P 1 21/n 1","-P 2yn","14","","9Me-[9]CMP","","- C63 H54 -","- C63 H54 -","- C252 H216 -","4","1","","Xue, Jing Yang; Izumi, Tomoo; Yoshii, Asami; Ikemoto, Koki; Koretsune, Takashi; Akashi, Ryosuke; Arita, Ryotaro; Taka, Hideo; Kita, Hiroshi; Sato, Sota; Isobe, Hiroyuki","Aromatic hydrocarbon macrocycles for highly efficient organic light-emitting devices with single-layer architectures","Chem. Sci.","2016","7","2","896","","10.1039/C5SC03807C","","","1.54187","CuKα","","0.0604","0.0534","","","0.1502","0.1562","","","","","","1.033","","","","has coordinates","175897","2020-10-21","18:00:00",""
"1540499","16.2912","0.0016","15.2859","0.0017","43.96","0.004","90","","90","","90","","10947.2","1.9","93","","93","","","","","","","","","2","P b c a","-P 2ac 2ab","61","","3Me-[6]CMP","","- C39 H30 -","- C39 H30 -","- C624 H480 -","16","2","","Xue, Jing Yang; Izumi, Tomoo; Yoshii, Asami; Ikemoto, Koki; Koretsune, Takashi; Akashi, Ryosuke; Arita, Ryotaro; Taka, Hideo; Kita, Hiroshi; Sato, Sota; Isobe, Hiroyuki","Aromatic hydrocarbon macrocycles for highly efficient organic light-emitting devices with single-layer architectures","Chem. Sci.","2016","7","2","896","","10.1039/C5SC03807C","","","1.54187","CuKα","","0.037","0.0343","","","0.0904","0.0926","","","","","","1.05","","","","has coordinates","175897","2020-10-21","18:00:00",""
"1540500","6.182","0.005","8.842","0.007","26.31","0.02","90","","90","","90","","1438","2","150","","150","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C15 H14 N2 O3 S -","- C15 H14 N2 O3 S -","- C60 H56 N8 O12 S4 -","4","1","","Kondoh, Azusa; Ota, Yusuke; Komuro, Takazumi; Egawa, Fuyuki; Kanomata, Kyohei; Terada, Masahiro","Chiral Brønsted acid-catalyzed enantioselective Friedel‒Crafts reaction of 2-methoxyfuran with aliphatic ketimines generated in situ","Chem. Sci.","2016","7","2","1057","","10.1039/C5SC03175C","","","0.71075","MoKα","","0.0322","0.0308","","","0.0748","0.076","","","","","","1.07","","","","has coordinates","175909","2020-10-21","18:00:00",""
"1540515","14.501","0.004","20.18","0.006","22.027","0.007","62.892","0.004","84.149","0.004","77.27","0.004","5597","3","110.15","","110.15","","","","","","","","","3","P -1","-P 1","2","","6,9-dimethyl-16-(1-octylnonyl)-16H-dinaphtho[1,2-b:2',1'-h]-carbazole","","- C47 H55 N -","- C47 H55 N -","- C282 H330 N6 -","6","3","","Lee, Jongbok; Rajeeva, Bharath Bangalore; Yuan, Tianyu; Guo, Zi-Hao; Lin, Yen-Hao; Al-Hashimi, Mohammed; Zheng, Yuebing; Fang, Lei","Thermodynamic synthesis of solution processable ladder polymers","Chem. Sci.","2016","7","2","881","","10.1039/C5SC02385H","","","0.71073","MoKα","","0.1331","0.0916","","","0.2314","0.2748","","","","","","1.14","","","","has coordinates,has disorder","175907","2020-10-21","18:00:00",""
"1540516","10.3672","0.0014","15.451","0.002","17.504","0.002","84.827","0.006","78.441","0.005","86.992","0.006","2734.1","0.6","123","","123","","","","","","","","","7","P -1","-P 1","2","","","","- C24 H18 B Cl3 F6 N2 O5 -","- C24 H18 B Cl3 F6 N2 O5 -","- C96 H72 B4 Cl12 F24 N8 O20 -","4","2","","Ishihara, Kazuaki; Lu, Yanhui","Boronic acid‒DMAPO cooperative catalysis for dehydrative condensation between carboxylic acids and amines","Chem. Sci.","2016","7","2","1276","","10.1039/C5SC03761A","","","0.71075","MoKα","","0.06","0.0422","","","0.1116","0.1186","","","","","","1.037","","","","has coordinates","214153","2020-10-21","18:00:00",""
"1540517","11.74","0.005","21.882","0.009","28.231","0.011","90","","92.244","0.008","90","","7247","5","173.15","","173.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C45 H26 Cl2 F N5 -","- C45 H26 Cl2 F N5 -","- C360 H208 Cl16 F8 N40 -","8","2","","Peng, Jiang; Guo, Xinyan; Jiang, Xinpeng; Zhao, Dahui; Ma, Yuguo","Developing efficient heavy-atom-free photosensitizers applicable to TTA upconversion in polymer films","Chem. Sci.","2016","7","2","1233","","10.1039/C5SC03245H","","","0.71073","MoKα","","0.2311","0.2184","","","0.5118","0.5154","","","","","","3.075","","","","has coordinates,has disorder","176429","2020-10-21","18:00:00",""
"1540518","9.568","0.004","14.645","0.004","21.564","0.006","90","","90","","90","","3021.6","1.7","93","","93","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C38 H35 N O Si -","- C38 H35 N O Si -","- C152 H140 N4 O4 Si4 -","4","1","","Shintani, Ryo; Takano, Ryo; Nozaki, Kyoko","Rhodium-catalyzed asymmetric synthesis of silicon-stereogenic silicon-bridged arylpyridinones","Chem. Sci.","2016","7","2","1205","","10.1039/C5SC03767K","","","1.54187","CuKα","","0.0735","0.0721","","","0.1856","0.1881","","","","","","1.046","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1540519","6.7057","0.0004","9.395","0.0005","10.2135","0.0007","75.517","0.004","77.083","0.005","71.249","0.003","582.7","0.06","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C28 H36 S2 -","- C28 H36 S2 -","- C28 H36 S2 -","1","0.5","","Eberhart, Andrew J.; Shrives, Harry; Zhang, Yuntong; Carrër, Amandine; Parry, Adam V. S.; Tate, Daniel J.; Turner, Michael L.; Procter, David J.","Sulfoxide-directed metal-free cross-couplings in the expedient synthesis of benzothiophene-based components of materials","Chem. Sci.","2016","7","2","1281","","10.1039/C5SC03823E","","","1.54178","CuKα","","0.0558","0.0503","","","0.1284","0.1338","","","","","","0.911","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1540520","6.1837","0.0006","9.106","0.0005","11.6714","0.0006","67.24","0.005","76.721","0.006","79.135","0.006","586.18","0.08","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C28 H36 S2 -","- C28 H36 S2 -","- C28 H36 S2 -","1","0.5","","Eberhart, Andrew J.; Shrives, Harry; Zhang, Yuntong; Carrër, Amandine; Parry, Adam V. S.; Tate, Daniel J.; Turner, Michael L.; Procter, David J.","Sulfoxide-directed metal-free cross-couplings in the expedient synthesis of benzothiophene-based components of materials","Chem. Sci.","2016","7","2","1281","","10.1039/C5SC03823E","","","1.5418","CuKα","","0.0631","0.0611","","","0.1658","0.1693","","","","","","0.928","","","","has coordinates","175911","2020-10-21","18:00:00",""
"1540521","5.4552","0.0002","9.113","0.0003","24.9685","0.0008","80.515","0.002","88.025","0.002","77.197","0.002","1193.85","0.07","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C28 H32 O2 S2 -","- C28 H32 O2 S2 -","- C56 H64 O4 S4 -","2","1","","Eberhart, Andrew J.; Shrives, Harry; Zhang, Yuntong; Carrër, Amandine; Parry, Adam V. S.; Tate, Daniel J.; Turner, Michael L.; Procter, David J.","Sulfoxide-directed metal-free cross-couplings in the expedient synthesis of benzothiophene-based components of materials","Chem. Sci.","2016","7","2","1281","","10.1039/C5SC03823E","","","1.54178","CuKα","","0.0416","0.036","","","0.0987","0.1033","","","","","","1.008","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1540522","11.2121","0.0004","10.8647","0.0002","19.8947","0.0004","90","","92.346","0.002","90","","2421.46","0.11","180","2","180","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C28 H32 O2 S2 -","- C28 H32 O2 S2 -","- C112 H128 O8 S8 -","4","1","","Eberhart, Andrew J.; Shrives, Harry; Zhang, Yuntong; Carrër, Amandine; Parry, Adam V. S.; Tate, Daniel J.; Turner, Michael L.; Procter, David J.","Sulfoxide-directed metal-free cross-couplings in the expedient synthesis of benzothiophene-based components of materials","Chem. Sci.","2016","7","2","1281","","10.1039/C5SC03823E","","","1.54178","CuKα","","0.0632","0.0417","","","0.0976","0.108","","","","","","1.053","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1540523","21.1876","0.0007","4.6865","0.0002","20.8975","0.0008","90","","91.004","0.002","90","","2074.71","0.14","100","2","100","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C26 H26 S2 -","- C26 H26 S2 -","- C104 H104 S8 -","4","0.5","","Eberhart, Andrew J.; Shrives, Harry; Zhang, Yuntong; Carrër, Amandine; Parry, Adam V. S.; Tate, Daniel J.; Turner, Michael L.; Procter, David J.","Sulfoxide-directed metal-free cross-couplings in the expedient synthesis of benzothiophene-based components of materials","Chem. Sci.","2016","7","2","1281","","10.1039/C5SC03823E","","","1.54178","CuKα","","0.0625","0.0509","","","0.1364","0.1451","","","","","","1.129","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1540530","12.7487","0.0004","19.7725","0.0006","18.4361","0.0005","90","","103.046","0.001","90","","4527.3","0.2","150","2","150","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C45 H62 N2 O2 P2 Rh2 S2 -","- C45 H62 N2 O2 P2 Rh2 S2 -","- C180 H248 N8 O8 P8 Rh8 S8 -","4","1","","Jongbloed, L. S.; de Bruin, B.; Reek, J. N. H.; Lutz, M.; van der Vlugt, J. I.","Reversible cyclometalation at RhIas a motif for metal‒ligand bifunctional bond activation and base-free formic acid dehydrogenation","Catal. Sci. Technol.","2016","6","5","1320","","10.1039/C5CY01505G","","","0.71073","MoKα","","0.0396","0.0255","","","0.0542","0.058","","","","","","1.023","","","","has coordinates","177625","2020-10-21","18:00:00",""
"1540531","16.151","0.003","9.5824","0.0019","16.403","0.003","90","","111.38","0.03","90","","2363.9","0.9","173","2","173","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C25 H29 Cl N O P Pd -","- C25 H29 Cl N O P Pd -","- C100 H116 Cl4 N4 O4 P4 Pd4 -","4","1","","Peng, Jing; Chen, Chao; Xi, Chanjuan","β-Arylation of oxime ethers using diaryliodonium salts through activation of inert C(sp3)‒H bonds using a palladium catalyst","Chem. Sci.","2016","7","2","1383","","10.1039/C5SC03903G","","","0.71073","MoKα","","0.0312","0.0291","","","0.0802","0.0818","","","","","","1.043","","","","has coordinates","175900","2020-10-21","18:00:00",""
"1540532","35.188","0.007","7.4837","0.0015","16.526","0.003","90","","98.87","0.03","90","","4299.9","1.5","173","2","173","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C47 H65 N O5 -","- C47 H65 N O5 -","- C188 H260 N4 O20 -","4","1","","Peng, Jing; Chen, Chao; Xi, Chanjuan","β-Arylation of oxime ethers using diaryliodonium salts through activation of inert C(sp3)‒H bonds using a palladium catalyst","Chem. Sci.","2016","7","2","1383","","10.1039/C5SC03903G","","","0.71073","MoKα","","0.1218","0.0992","","","0.2153","0.2303","","","","","","1.051","","","","has coordinates","175900","2020-10-21","18:00:00",""
"1540533","10.4376","0.0008","5.7148","0.0004","15.9916","0.0011","90","","102.543","0.002","90","","931.11","0.12","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H22 N4 O6 U -","- C16 H22 N4 O6 U -","- C32 H44 N8 O12 U2 -","2","0.5","","Abney, C. W.; Mayes, R. T.; Piechowicz, M.; Lin, Z.; Bryantsev, V. S.; Veith, G. M.; Dai, S.; Lin, W.","XAFS investigation of polyamidoxime-bound uranyl contests the paradigm from small molecule studies","Energy Environ. Sci.","2016","9","2","448","","10.1039/C5EE02913A","","","0.71073","MoKα","","0.0613","0.0288","","","0.0485","0.055","","","","","","1.043","","","","has coordinates","177877","2020-10-21","18:00:00",""
"1540538","34.19","0.004","32.89","0.004","44.013","0.005","90","","110.32","0.003","90","","46413","9","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C150.25 H144 Cl4.5 Mn12 N24 O56 -","- C150.25 H144 Cl4.5 Mn12 N24 O56 -","- C1202 H1152 Cl36 Mn96 N192 O448 -","8","2","","Nguyen, Tu N.; Wernsdorfer, Wolfgang; Shiddiq, Muhandis; Abboud, Khalil A.; Hill, Stephen; Christou, George","Supramolecular aggregates of single-molecule magnets: exchange-biased quantum tunneling of magnetization in a rectangular [Mn3]4tetramer","Chem. Sci.","2016","7","2","1156","","10.1039/C5SC02599K","","","0.71073","MoKα","","0.2135","0.074","","","0.1617","0.1886","","","","","","0.624","","","","has coordinates,has disorder","175904","2020-10-21","18:00:00",""
"1540539","16.0232","0.0017","41.093","0.004","13.0506","0.0014","90","","110.908","0.002","90","","8027.2","1.4","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C65 H86 Mn6 N10 O26 -","- C60 H68 Mn6 N8 O24 -","- C240 H272 Mn24 N32 O96 -","4","0.5","","Nguyen, Tu N.; Wernsdorfer, Wolfgang; Shiddiq, Muhandis; Abboud, Khalil A.; Hill, Stephen; Christou, George","Supramolecular aggregates of single-molecule magnets: exchange-biased quantum tunneling of magnetization in a rectangular [Mn3]4tetramer","Chem. Sci.","2016","7","2","1156","","10.1039/C5SC02599K","","","0.71073","MoKα","","0.065","0.046","","","0.1276","0.1337","","","","","","1.08","","","","has coordinates,has disorder","175904","2020-10-21","18:00:00",""
"1540540","16.7797","0.0018","16.9615","0.0018","20.538","0.004","93.849","0.003","105.068","0.003","116.263","0.002","4948.4","1.2","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C80 H98 Cl10 Mn6 N10 O32 -","- C68 H70 Cl2 Mn6 N10 O30 -","- C136 H140 Cl4 Mn12 N20 O60 -","2","1","","Nguyen, Tu N.; Wernsdorfer, Wolfgang; Shiddiq, Muhandis; Abboud, Khalil A.; Hill, Stephen; Christou, George","Supramolecular aggregates of single-molecule magnets: exchange-biased quantum tunneling of magnetization in a rectangular [Mn3]4tetramer","Chem. Sci.","2016","7","2","1156","","10.1039/C5SC02599K","","","0.71073","MoKα","","0.0937","0.0732","","","0.2028","0.2163","","","","","","1.112","","","","has coordinates,has disorder","175904","2020-10-21","18:00:00",""
"1540541","42.112","0.003","26.498","0.0016","30.5334","0.0018","90","","127.707","0.001","90","","26956","3","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C206 H252 Cl44 Mn12 N24 O48 -","- C188.6 H217.8 Cl8 Mn12 N24 O56 -","- C754.4 H871.2 Cl32 Mn48 N96 O224 -","4","0.5","","Nguyen, Tu N.; Wernsdorfer, Wolfgang; Shiddiq, Muhandis; Abboud, Khalil A.; Hill, Stephen; Christou, George","Supramolecular aggregates of single-molecule magnets: exchange-biased quantum tunneling of magnetization in a rectangular [Mn3]4tetramer","Chem. Sci.","2016","7","2","1156","","10.1039/C5SC02599K","","","0.71073","MoKα","","0.0845","0.0511","","","0.1321","0.1411","","","","","","1.001","","","","has coordinates,has disorder","175904","2020-10-21","18:00:00",""
"1540542","12.4983","0.0008","12.6057","0.0009","18.1384","0.0012","98.507","0.002","92.517","0.0019","95.084","0.0019","2810.4","0.3","100","","100","","","","","","","","","7","P -1","-P 1","2","","","","- C58 H94 Au B F4 N2 O3 -","- C58 H94 Au B F4 N2 O3 -","- C116 H188 Au2 B2 F8 N4 O6 -","2","1","","Jin, Liqun; Melaimi, Mohand; Kostenko, Arseni; Karni, Miriam; Apeloig, Yitzhak; Moore, Curtis E.; Rheingold, Arnold L.; Bertrand, Guy","Isolation of cationic and neutral (allenylidene)(carbene) and bis(allenylidene)gold complexes","Chem. Sci.","2016","7","1","150","","10.1039/C5SC03654B","","x-ray","0.71073","MoKα","","0.0793","0.0671","","","0.1527","0.1577","","","","","","1.212","","","","has coordinates,has disorder","175931","2020-10-21","18:00:00",""
"1540543","20.0066","0.0006","16.2975","0.0005","20.6068","0.0006","90","","119.023","0.0014","90","","5875.3","0.3","100","","100","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C60 H98 Au N2 O3.5 -","- C46 H70 Au N2 -","- C184 H280 Au4 N8 -","4","0.5","","Jin, Liqun; Melaimi, Mohand; Kostenko, Arseni; Karni, Miriam; Apeloig, Yitzhak; Moore, Curtis E.; Rheingold, Arnold L.; Bertrand, Guy","Isolation of cationic and neutral (allenylidene)(carbene) and bis(allenylidene)gold complexes","Chem. Sci.","2016","7","1","150","","10.1039/C5SC03654B","","x-ray","0.71073","MoKα","","0.0566","0.0474","","","0.1178","0.1209","","","","","","1.154","","","","has coordinates,has disorder","175931","2020-10-21","18:00:00",""
"1540544","15.393","0.004","14.569","0.004","24.605","0.006","90","","106.993","0.005","90","","5277","2","100","","100","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C50 H74 Au B Cl4 F4 N2 -","- C50 H74 Au B Cl4 F4 N2 -","- C200 H296 Au4 B4 Cl16 F16 N8 -","4","1","","Jin, Liqun; Melaimi, Mohand; Kostenko, Arseni; Karni, Miriam; Apeloig, Yitzhak; Moore, Curtis E.; Rheingold, Arnold L.; Bertrand, Guy","Isolation of cationic and neutral (allenylidene)(carbene) and bis(allenylidene)gold complexes","Chem. Sci.","2016","7","1","150","","10.1039/C5SC03654B","","x-ray","0.71073","MoKα","","0.1203","0.0499","","","0.0979","0.1179","","","","","","1.007","","","","has coordinates,has disorder","175931","2020-10-21","18:00:00",""
"1540545","9.726","0.005","17.928","0.009","17.689","0.009","90","","90.136","0.008","90","","3084","3","130","2","130","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C27 H43 B Cl Mg N6 -","- C27 H43 B Cl Mg N6 -","- C108 H172 B4 Cl4 Mg4 N24 -","4","2","","Rauch, Michael; Ruccolo, Serge; Mester, John Paul; Rong, Yi; Parkin, Gerard","Synthesis, structure and reactivity of a terminal magnesium fluoride compound, [TpBut,Me]MgF: hydrogen bonding, halogen bonding and C‒F bond formation","Chem. Sci.","2016","7","1","142","","10.1039/C5SC03504J","","","0.71073","MoKα","","0.0667","0.0541","","","0.1405","0.1531","","","","","","1.048","","","","has coordinates","175925","2020-10-21","18:00:00",""
"1540546","9.422","0.003","30.397","0.009","9.544","0.003","90","","98.992","0.004","90","","2699.8","1.4","130","2","130","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C24 H40 B F Mg N6 -","- C24 H40 B F Mg N6 -","- C96 H160 B4 F4 Mg4 N24 -","4","1","","Rauch, Michael; Ruccolo, Serge; Mester, John Paul; Rong, Yi; Parkin, Gerard","Synthesis, structure and reactivity of a terminal magnesium fluoride compound, [TpBut,Me]MgF: hydrogen bonding, halogen bonding and C‒F bond formation","Chem. Sci.","2016","7","1","142","","10.1039/C5SC03504J","","","0.71073","MoKα","","0.0696","0.0507","","","0.1234","0.1336","","","","","","1.036","","","","has coordinates,has disorder","175925","2020-10-21","18:00:00",""
"1540547","10.469","0.003","16.987","0.005","16.162","0.005","90","","91.359","0.004","90","","2873.4","1.5","130","2","130","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C24 H40 B I Mg N6 -","- C24 H40 B I Mg N6 -","- C96 H160 B4 I4 Mg4 N24 -","4","1","","Rauch, Michael; Ruccolo, Serge; Mester, John Paul; Rong, Yi; Parkin, Gerard","Synthesis, structure and reactivity of a terminal magnesium fluoride compound, [TpBut,Me]MgF: hydrogen bonding, halogen bonding and C‒F bond formation","Chem. Sci.","2016","7","1","142","","10.1039/C5SC03504J","","","0.71073","MoKα","","0.055","0.0387","","","0.0927","0.1012","","","","","","1.032","","","","has coordinates","175925","2020-10-21","18:00:00",""
"1540548","9.724","0.004","18.118","0.007","17.751","0.006","90","","90.132","0.006","90","","3127","2","130","2","130","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C27 H43 B Br Mg N6 -","- C27 H43 B Br Mg N6 -","- C108 H172 B4 Br4 Mg4 N24 -","4","2","","Rauch, Michael; Ruccolo, Serge; Mester, John Paul; Rong, Yi; Parkin, Gerard","Synthesis, structure and reactivity of a terminal magnesium fluoride compound, [TpBut,Me]MgF: hydrogen bonding, halogen bonding and C‒F bond formation","Chem. Sci.","2016","7","1","142","","10.1039/C5SC03504J","","","0.71073","MoKα","","0.088","0.0653","","","0.171","0.1845","","","","","","1.076","","","","has coordinates","175925","2020-10-21","18:00:00",""
"1540553","6.7708","0.0003","15.0499","0.0006","18.2635","0.0007","90","","98.942","0.004","90","","1838.43","0.13","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","N-(2-methylbut-3-en-1-yl)-N-(4-nitrobenzenesulfonyl)-2-methoxyaniline","","- C18 H20 N2 O5 S -","- C18 H20 N2 O5 S -","- C72 H80 N8 O20 S4 -","4","2","","Oda, Susumu; Franke, Jana; Krische, Michael J.","Diene hydroaminomethylation via ruthenium-catalyzed C‒C bond forming transfer hydrogenation: beyond carbonylation","Chem. Sci.","2016","7","1","136","","10.1039/C5SC03854E","","","1.54184","CuKα","","0.043","0.0406","","","0.1088","0.1112","","","","","","1.05","","","","has coordinates","175938","2020-10-21","18:00:00",""
"1540554","10.311","0.003","18.895","0.005","20.77","0.006","69.618","0.007","85.946","0.007","76.898","0.006","3694.3","1.8","298","","298","","","","","","","","","4","P -1","-P 1","2","","","","- C40 H56 B P -","- C40 H56 B P -","- C160 H224 B4 P4 -","4","2","","Takamizawa, Satoshi; Takasaki, Yuichi","Shape-memory effect in an organosuperelastic crystal","Chem. Sci.","2016","7","2","1527","","10.1039/C5SC04057D","","","0.71073","MoKα","","0.2319","0.112","","","0.3496","0.4207","","","","","","1.12","","","","has coordinates","175901","2020-10-21","18:00:00",""
"1540555","10.5582","0.0011","19.131","0.002","20.915","0.002","68.892","0.002","85.501","0.003","77.175","0.002","3842.8","0.7","394","","394","","","","","","","","","4","P -1","-P 1","2","","","","- C40 H56 B P -","- C40 H56 B P -","- C160 H224 B4 P4 -","4","2","","Takamizawa, Satoshi; Takasaki, Yuichi","Shape-memory effect in an organosuperelastic crystal","Chem. Sci.","2016","7","2","1527","","10.1039/C5SC04057D","","","0.71073","MoKα","","0.2774","0.096","","","0.266","0.3982","","","","","","0.894","","","","has coordinates","175901","2020-10-21","18:00:00",""
"1540556","12.1401","0.0014","36.975","0.004","17.688","0.002","90","","102.611","0.002","90","","7748.2","1.5","403","","403","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C40 H56 B P -","- C40 H56 B P -","- C320 H448 B8 P8 -","8","2","","Takamizawa, Satoshi; Takasaki, Yuichi","Shape-memory effect in an organosuperelastic crystal","Chem. Sci.","2016","7","2","1527","","10.1039/C5SC04057D","","","0.71073","MoKα","","0.443","0.1668","","","0.4463","0.5654","","","","","","1.123","","","","has coordinates","175901","2020-10-21","18:00:00",""
"1540557","10.1868","0.0007","18.7141","0.0013","20.7566","0.0015","70.748","0.002","86.972","0.002","76.006","0.002","3623.3","0.4","183","","183","","","","","","","","","4","P -1","-P 1","2","","","","- C40 H56 B P -","- C40 H56 B P -","- C160 H224 B4 P4 -","4","2","","Takamizawa, Satoshi; Takasaki, Yuichi","Shape-memory effect in an organosuperelastic crystal","Chem. Sci.","2016","7","2","1527","","10.1039/C5SC04057D","","","0.71073","MoKα","","0.2179","0.0888","","","0.1966","0.2639","","","","","","1.004","","","","has coordinates","175901","2020-10-21","18:00:00",""
"1540558","13.4225","0.0014","14.2249","0.0015","24.728","0.003","74.619","0.002","89.572","0.002","62.126","0.001","3986.3","0.8","120","2","120","2","","","","","","","","9","P -1","-P 1","2","MBar-JCA-1-107","","","- C40.75 H30.5 Au Cl1.5 Cr N O9 P S -","- C40.75 H29.5 Au Cl1.5 Cr N O9 P S -","- C163 H118 Au4 Cl6 Cr4 N4 O36 P4 S4 -","4","2","","Applegate, Jason C.; Okeowo, Monisola K.; Erickson, Nathan R.; Neal, Brad M.; Berrie, Cindy L.; Gerasimchukand, Nikolay N.; Barybin, Mikhail V.","First π-linker featuring mercapto and isocyano anchoring groups within the same molecule: Synthesis, heterobimetallic complexation and self-assembly on Au(111).","Chemical science (Royal Society of Chemistry : 2010)","2016","7","2","1422","1429","10.1039/C5SC04017E","","","0.71073","MoKα","","0.0954","0.0469","","","0.0843","0.1054","","","","","","1.041","","","","has coordinates,has disorder","177710","2020-10-21","18:00:00",""
"1540560","12.9311","0.0005","22.2426","0.0007","23.2785","0.0008","90","","102.771","0.004","90","","6529.8","0.4","143","2","143","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C64.5 H54 Cl8 I3 O2 Os P3 -","- C64.5 H54 Cl8 I3 O2 Os P3 -","- C258 H216 Cl32 I12 O8 Os4 P12 -","4","1","","Luo, Ming; Zhu, Congqing; Chen, Lina; Zhang, Hong; Xia, Haiping","Halogenation of carbyne complexes: isolation of unsaturated metallaiodirenium ion and metallabromirenium ion","Chem. Sci.","2016","7","3","1815","","10.1039/C5SC03963K","","","0.71073","MoKα","","0.0518","0.0419","","","0.103","0.1074","","","","","","1.067","","","","has coordinates,has disorder","177721","2020-10-21","18:00:00",""
"1540561","13.0217","0.0003","22.2992","0.0005","23.1406","0.0005","90","","102.857","0.002","90","","6551","0.3","123","2","123","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C64 H53 Br8 Cl2 O2 Os P3 -","- C64 H53 Br8 Cl2 O2 Os P3 -","- C256 H212 Br32 Cl8 O8 Os4 P12 -","4","1","","Luo, Ming; Zhu, Congqing; Chen, Lina; Zhang, Hong; Xia, Haiping","Halogenation of carbyne complexes: isolation of unsaturated metallaiodirenium ion and metallabromirenium ion","Chem. Sci.","2016","7","3","1815","","10.1039/C5SC03963K","","","0.71073","MoKα","","0.0937","0.067","","","0.1555","0.1669","","","","","","1.062","","","","has coordinates,has disorder","211178","2020-10-21","18:00:00",""
"1540562","10.47242","0.00008","19.20658","0.00014","10.61743","0.00009","90","","94.0778","0.0007","90","","2130.18","0.03","120","2","120","2","","","","","","","","7","P 1 21/m 1","-P 2yb","11","","","","- C42 H53 Dy N2 O P2 Si2 -","- C42 H53 Dy N2 O P2 Si2 -","- C84 H106 Dy2 N4 O2 P4 Si4 -","2","0.5","","Gregson, Matthew; Chilton, Nicholas F.; Ariciu, Ana-Maria; Tuna, Floriana; Crowe, Iain F.; Lewis, William; Blake, Alexander J.; Collison, David; McInnes, Eric J. L.; Winpenny, Richard E. P.; Liddle, Stephen T.","A monometallic lanthanide bis(methanediide) single molecule magnet with a large energy barrier and complex spin relaxation behaviour","Chem. Sci.","2016","7","1","155","","10.1039/C5SC03111G","","x-ray","1.54184","CuKα","","0.0197","0.0193","","","0.0494","0.0496","","","","","","1.043","","","","has coordinates,has disorder","175935","2020-10-21","18:00:00",""
"1540563","31.667","0.003","25.7439","0.0013","20.938","0.002","90","","132.786","0.016","90","","12527","4","90","2","90","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C62 H77 N4 P4 Si4 Y -","- C62 H77 N4 P4 Si4 Y -","- C496 H616 N32 P32 Si32 Y8 -","8","1","","Gregson, Matthew; Chilton, Nicholas F.; Ariciu, Ana-Maria; Tuna, Floriana; Crowe, Iain F.; Lewis, William; Blake, Alexander J.; Collison, David; McInnes, Eric J. L.; Winpenny, Richard E. P.; Liddle, Stephen T.","A monometallic lanthanide bis(methanediide) single molecule magnet with a large energy barrier and complex spin relaxation behaviour","Chem. Sci.","2016","7","1","155","","10.1039/C5SC03111G","","x-ray","1.54184","CuKα","","0.0683","0.06","","","0.1668","0.1764","","","","","","1.02","","","","has coordinates","175935","2020-10-21","18:00:00",""
"1540564","31.7145","0.0011","25.723","0.0004","20.9468","0.0007","90","","132.69","0.006","90","","12560.4","1.4","120","2","120","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C62 H77 Dy N4 P4 Si4 -","- C62 H77 Dy N4 P4 Si4 -","- C496 H616 Dy8 N32 P32 Si32 -","8","1","","Gregson, Matthew; Chilton, Nicholas F.; Ariciu, Ana-Maria; Tuna, Floriana; Crowe, Iain F.; Lewis, William; Blake, Alexander J.; Collison, David; McInnes, Eric J. L.; Winpenny, Richard E. P.; Liddle, Stephen T.","A monometallic lanthanide bis(methanediide) single molecule magnet with a large energy barrier and complex spin relaxation behaviour","Chem. Sci.","2016","7","1","155","","10.1039/C5SC03111G","","","1.54184","CuKα","","0.0257","0.0245","","","0.064","0.065","","","","","","1.037","","","","has coordinates","175935","2020-10-21","18:00:00",""
"1540565","15.1169","0.0005","15.282","0.0005","21.1716","0.0005","98.667","0.002","94.975","0.002","93.716","0.003","4801.8","0.3","120","2","120","2","","","","","","","","8","P -1","-P 1","2","","","","- C90 H132 K N4 O10 P4 Si4 Y -","- C90 H132 K N4 O10 P4 Si4 Y -","- C180 H264 K2 N8 O20 P8 Si8 Y2 -","2","1","","Gregson, Matthew; Chilton, Nicholas F.; Ariciu, Ana-Maria; Tuna, Floriana; Crowe, Iain F.; Lewis, William; Blake, Alexander J.; Collison, David; McInnes, Eric J. L.; Winpenny, Richard E. P.; Liddle, Stephen T.","A monometallic lanthanide bis(methanediide) single molecule magnet with a large energy barrier and complex spin relaxation behaviour","Chem. Sci.","2016","7","1","155","","10.1039/C5SC03111G","","x-ray","1.54184","CuKα","","0.086","0.0734","","","0.1877","0.2045","","","","","","1.031","","","","has coordinates,has disorder","175935","2020-10-21","18:00:00",""
"1540566","15.1483","0.0007","15.3041","0.0005","21.1587","0.0007","98.844","0.003","95.182","0.003","93.576","0.003","4812.6","0.3","120","2","120","2","","","","","","","","8","P -1","-P 1","2","","","","- C90 H132 Dy K N4 O10 P4 Si4 -","- C90 H132 Dy K N4 O10 P4 Si4 -","- C180 H264 Dy2 K2 N8 O20 P8 Si8 -","2","1","","Gregson, Matthew; Chilton, Nicholas F.; Ariciu, Ana-Maria; Tuna, Floriana; Crowe, Iain F.; Lewis, William; Blake, Alexander J.; Collison, David; McInnes, Eric J. L.; Winpenny, Richard E. P.; Liddle, Stephen T.","A monometallic lanthanide bis(methanediide) single molecule magnet with a large energy barrier and complex spin relaxation behaviour","Chem. Sci.","2016","7","1","155","","10.1039/C5SC03111G","","x-ray","1.54184","CuKα","","0.1057","0.0791","","","0.1888","0.2143","","","","","","1.023","","","","has coordinates,has disorder","175935","2020-10-21","18:00:00",""
"1540567","16.174","0.003","17.746","0.004","17.83","0.004","65","0.03","64","0.03","81","0.03","4166","2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","Au25(PET)18 in the neutral charge state","","- C148 H170 Au25 O2 S36 -","- C158 H180 Au25 S18 -","- C158 H180 Au25 S18 -","1","0.5","","Tofanelli, Marcus A.; Salorinne, Kirsi; Ni, Thomas W.; Malola, Sami; Newell, Brian; Phillips, Billy; Häkkinen, Hannu; Ackerson, Christopher J.","Jahn‒Teller effects in Au25(SR)18","Chem. Sci.","2016","7","3","1882","","10.1039/C5SC02134K","","","0.71073","MoKα","","0.0891","0.0387","","","0.0826","0.1095","","","","","","1.031","","","","has coordinates","177732","2020-10-21","18:00:00",""
"1540568","16.8533","0.0007","17.775","0.0008","18.2364","0.0008","93.765","0.002","114.867","0.002","112.147","0.002","4424.4","0.4","120","2","120","2","","","","","","","N/A","6","P -1","-P 1","2","","Au25(PET)18 +1","","- C144 H180 Au25 F6 P S18 -","- C144 H198 Au25 F12 P2 S18 -","- C144 H198 Au25 F12 P2 S18 -","1","0.5","","Tofanelli, Marcus A.; Salorinne, Kirsi; Ni, Thomas W.; Malola, Sami; Newell, Brian; Phillips, Billy; Häkkinen, Hannu; Ackerson, Christopher J.","Jahn‒Teller effects in Au25(SR)18","Chem. Sci.","2016","7","3","1882","","10.1039/C5SC02134K","","","0.71073","MoKα","","0.0769","0.0482","","","0.1268","0.1501","","","","","","1.074","","","","has coordinates","177732","2020-10-21","18:00:00",""
"1540579","7.9683","0.0002","12.0495","0.0003","25.4584","0.0005","90","","90","","90","","2444.36","0.1","118","2","118","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","O-(4-nitrobenzyl)-(R)-1k","","- C26 H29 F3 N2 O5 -","- C26 H29 F3 N2 O5 -","- C104 H116 F12 N8 O20 -","4","1","","Ozawa, Jun; Tashiro, Masayuki; Ni, Jizhi; Oisaki, Kounosuke; Kanai, Motomu","Chemo- and regioselective oxygenation of C(sp3)‒H bonds in aliphatic alcohols using a covalently bound directing activator and atmospheric oxygen","Chem. Sci.","2016","7","3","1904","","10.1039/C5SC04476F","","","1.54187","CuKα","","0.1456","0.0905","","","0.2223","0.3199","","","","","","1.111","","","","has coordinates","177725","2020-10-21","18:00:00",""
"1540581","6.1983","0.0001","9.7636","0.0003","17.0724","0.0004","75.866","0.002","84.107","0.001","87.755","0.001","996.5","0.04","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C23 H34 N2 O -","- C23 H34 N2 O -","- C46 H68 N4 O2 -","2","1","","Race, Nicholas J.; Faulkner, Adele; Shaw, Megan H.; Bower, John F.","Dichotomous mechanistic behavior in Narasaka‒Heck cyclizations: electron rich Pd-catalysts generate iminyl radicals","Chem. Sci.","2016","7","2","1508","","10.1039/C5SC04037J","","","0.71073","MoKα","","0.0429","0.037","","","0.0941","0.0985","","","","","","1.041","","","","has coordinates","175894","2020-10-21","18:00:00",""
"1540582","9.6325","0.0002","13.413","0.0003","18.8693","0.0013","96.651","0.007","91.573","0.007","109.521","0.008","2276.6","0.2","93","2","93","2","","","","","","","","5","P -1","-P 1","2","","(2-hydroxy-6-(2-(pyridin-2-yl)phenyl)cyclohexyl)(4-(trifluoromethyl)phenyl)methanone","","- C26.75 H24 F3 N O2 -","- C26.75 H24 F3 N O2 -","- C107 H96 F12 N4 O8 -","4","2","","Boerth, Jeffrey A.; Ellman, Jonathan A.","Rh(III)-Catalyzed Diastereoselective C-H Bond Addition/Cyclization Cascade of Enone Tethered Aldehydes.","Chemical science (Royal Society of Chemistry : 2010)","2016","7","2","1474","1479","10.1039/C5SC04138D","","","1.54187","CuKα","","0.0428","0.0394","","","0.1018","0.1039","","","","","","1.072","","","","has coordinates,has disorder","217633","2020-10-21","18:00:00",""
"1540583","11.854","0.0008","13.0781","0.0009","16.154","0.0011","79.702","0.002","80.128","0.002","73.163","0.002","2339.2","0.3","93","2","93","2","","","","","","","","7","P -1","-P 1","2","","Cp*Rhodium(III) Enolate of 1-phenyl-3-(2-(pyridin-2-yl)phenyl)propan-1-one","","- C54 H31 B F20 N O Rh -","- C54 H31 B F20 N O Rh -","- C108 H62 B2 F40 N2 O2 Rh2 -","2","1","","Boerth, Jeffrey A.; Ellman, Jonathan A.","Rh(III)-Catalyzed Diastereoselective C-H Bond Addition/Cyclization Cascade of Enone Tethered Aldehydes.","Chemical science (Royal Society of Chemistry : 2010)","2016","7","2","1474","1479","10.1039/C5SC04138D","","","1.54178","CuKα","","0.026","0.025","","","0.0727","0.0731","","","","","","1.126","","","","has coordinates","177712","2020-10-21","18:00:00",""
"1540585","10.9903","0.0019","17.558","0.003","19.758","0.004","99.562","0.003","105.779","0.003","107.217","0.003","3376.1","1.1","90","2","90","2","","","","","","","","5","P -1","-P 1","2","","","","- C109.5 H36 N3 S5 Sc3 -","- C109.5 H36 N3 S5 Sc3 -","- C219 H72 N6 S10 Sc6 -","2","1","","Chen, Muqing; Bao, Lipiao; Ai, Min; Shen, Wangqiang; Lu, Xing","Sc3N@Ih-C80as a novel Lewis acid to trap abnormal N-heterocyclic carbenes: the unprecedented formation of a singly bonded [6,6,6]-adduct","Chem. Sci.","2016","7","3","2331","","10.1039/C5SC04070A","","","0.71073","MoKα","","0.1272","0.0784","","","0.205","0.2401","","","","","","1.046","","","","has coordinates","215051","2020-10-21","18:00:00",""
"1540586","7.7762","0.0003","19.2554","0.0008","7.6287","0.0003","90","","98.728","0.002","90","","1129.05","0.08","200","2","200","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C11 H7 F3 I N -","- C11 H7 F3 I N -","- C44 H28 F12 I4 N4 -","4","1","","Jacquet, Jérémy; Blanchard, Sébastien; Derat, Etienne; Desage-El Murr, Marine; Fensterbank, Louis","Redox-ligand sustains controlled generation of CF3radicals by well-defined copper complex","Chem. Sci.","2016","7","3","2030","","10.1039/C5SC03636D","","","0.71073","MoKα","","0.0323","0.025","","","0.0516","0.0545","","","","","","1.046","","","","has coordinates","177726","2020-10-21","18:00:00",""
"1540587","8.1809","0.0001","8.1809","0.0001","8.1809","0.0001","90","","90","","90","","547.524","0.012","293","","293","","","","","","","","","5","I -4 3 m","I -4 2 3","217","","","","- Co2.581 F6 Mn0.419 O6 Sb4 -","- Co2.58 F6 Mn0.42 O6 Sb4 -","- Co5.16 F12 Mn0.84 O12 Sb8 -","2","0.0416667","","Svengren, H.; Torapava, N.; Athanassiadis, I.; Ali, S. I.; Johnsson, M.","A transition metal oxofluoride offering advantages in electrocatalysis and potential use in applications.","Faraday discussions","2016","188","","481","498","10.1039/c5fd00169b","","x-ray","0.71069","MoKα","","0.0232","0.0228","","","0.0293","0.0294","","","","1.99","1.99","1.98","","","","has coordinates","185552","2020-10-21","18:00:00",""
"1540650","7.7264","0.0017","17.285","0.003","14.927","0.003","90","","94.081","0.007","90","","1988.5","0.7","113","","113","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H26 Br2 Fe N4 -","- C16 H14 Br2 Fe N4 -","- C64 H56 Br8 Fe4 N16 -","4","1","","Nakanishi, So-ichiro; Kawamura, Mitsunobu; Sunada, Yusuke; Nagashima, Hideo","Atom transfer radical polymerization by solvent-stabilized (Me3TACN)FeX2: a practical access to reusable iron(ii) catalysts","Polym. Chem.","2016","7","5","1037","","10.1039/C5PY01762A","","","0.71075","MoKα","","0.0593","0.0572","","","0.1435","0.1458","","","","","","1.245","","","","has coordinates","176208","2020-10-21","18:00:00",""
"1540651","16.3535","0.0018","12.5257","0.0013","7.6117","0.0008","90","","90","","90","","1559.2","0.3","113","","113","","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C11 H24 Br2 Fe N4 -","- C11 H24 Br2 Fe N4 -","- C44 H96 Br8 Fe4 N16 -","4","1","","Nakanishi, So-ichiro; Kawamura, Mitsunobu; Sunada, Yusuke; Nagashima, Hideo","Atom transfer radical polymerization by solvent-stabilized (Me3TACN)FeX2: a practical access to reusable iron(ii) catalysts","Polym. Chem.","2016","7","5","1037","","10.1039/C5PY01762A","","","0.71075","MoKα","","","0.0643","","","","0.1631","","","","","","0.886","","","","has coordinates","176208","2020-10-21","18:00:00",""
"1540652","22.0243","0.0016","16.0659","0.0011","23.6931","0.0017","90","","90","","90","","8383.6","1","113","","113","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C27 H63 Br6 Fe3 N9 -","- C27 H63 Br6 Fe3 N9 -","- C216 H504 Br48 Fe24 N72 -","8","1","","Nakanishi, So-ichiro; Kawamura, Mitsunobu; Sunada, Yusuke; Nagashima, Hideo","Atom transfer radical polymerization by solvent-stabilized (Me3TACN)FeX2: a practical access to reusable iron(ii) catalysts","Polym. Chem.","2016","7","5","1037","","10.1039/C5PY01762A","","","0.71075","MoKα","","0.0661","0.0623","","","0.1372","0.1391","","","","","","1.3","","","","has coordinates","176208","2020-10-21","18:00:00",""
"1540653","15.919","0.002","11.3592","0.0016","17.894","0.003","90","","114.701","0.002","90","","2939.7","0.7","273","2","273","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C30 H47 Cl N2 Pd -","- C30 H47 Cl N2 Pd -","- C120 H188 Cl4 N8 Pd4 -","4","1","","Hu, Haibin; Chen, Darui; Gao, Haiyang; Zhong, Liu; Wu, Qing","Amine‒imine palladium catalysts for living polymerization of ethylene and copolymerization of ethylene with methyl acrylate: incorporation of acrylate units into the main chain and branch end","Polym. Chem.","2016","7","3","529","","10.1039/C5PY01743B","","","0.71073","MoKα","","0.0506","0.0308","","","0.0716","0.0807","","","","","","1.021","","","","has coordinates","176207","2020-10-21","18:00:00",""
"1540654","12.1356","0.0002","13.0597","0.0002","22.3007","0.0003","103.235","0.001","98.496","0.001","101.575","0.001","3300.29","0.09","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C64 H62 B F24 N3 O0.5 Pd -","- C64 H62 B F24 N3 O0.5 Pd -","- C128 H124 B2 F48 N6 O Pd2 -","2","1","","Hu, Haibin; Chen, Darui; Gao, Haiyang; Zhong, Liu; Wu, Qing","Amine‒imine palladium catalysts for living polymerization of ethylene and copolymerization of ethylene with methyl acrylate: incorporation of acrylate units into the main chain and branch end","Polym. Chem.","2016","7","3","529","","10.1039/C5PY01743B","","","0.71073","MoKα","","0.0722","0.0706","","","0.178","0.1794","","","","","","1.069","","","","has coordinates,has disorder","176207","2020-10-21","18:00:00",""
"1540655","20.447","0.0001","20.447","0.0001","20.447","0.0001","90","","90","","90","","8548.48","0.07","100","2","100","2","","","","","","","","5","I -4 3 d","I -4bd 2c 3","220","","[Cp2Co]3[In3(BTC)4]","","- C22 H14 Co In O8 -","- C22 H14 Co In O8 -","- C264 H168 Co12 In12 O96 -","12","0.25","","Grigoropoulos, Alexios; Whitehead, George F. S.; Perret, Noémie; Katsoulidis, Alexandros P.; Chadwick, F. Mark; Davies, Robert P.; Haynes, Anthony; Brammer, Lee; Weller, Andrew S.; Xiao, Jianliang; Rosseinsky, Matthew J.","Encapsulation of an organometallic cationic catalyst by direct exchange into an anionic MOF","Chem. Sci.","2016","7","3","2037","","10.1039/C5SC03494A","","","0.6889","synchrotron","","0.0362","0.0349","","","0.1184","0.1197","","","","","","1.188","","","","has coordinates,has disorder","177716","2020-10-21","18:00:00",""
"1540656","20.4031","0.0002","20.4031","0.0002","20.4031","0.0002","90","","90","","90","","8493.53","0.14","100","2","100","2","","","","","","","","5","I -4 3 d","I -4bd 2c 3","220","","[(Cp2Co)x(TEA)3-x][In3(BTC)4]","","- C12 H4 Co0.28 In O8 -","- C12 H4 Co0.282 In O8 -","- C144 H48 Co3.384 In12 O96 -","12","0.25","","Grigoropoulos, Alexios; Whitehead, George F. S.; Perret, Noémie; Katsoulidis, Alexandros P.; Chadwick, F. Mark; Davies, Robert P.; Haynes, Anthony; Brammer, Lee; Weller, Andrew S.; Xiao, Jianliang; Rosseinsky, Matthew J.","Encapsulation of an organometallic cationic catalyst by direct exchange into an anionic MOF","Chem. Sci.","2016","7","3","2037","","10.1039/C5SC03494A","","x-ray","0.71073","MoKα","","0.0651","0.0627","","","0.1998","0.2013","","","","","","1.243","","","","has coordinates","177716","2020-10-21","18:00:00",""
"1540657","38.0429","0.0009","5.96446","0.00015","19.5829","0.0005","90","","120.924","0.0007","90","","3811.83","0.17","173","","173","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C17 H23 F2 N O5 S -","- C17 H23 F2 N O5 S -","- C136 H184 F16 N8 O40 S8 -","8","1","","Saidalimu, Ibrayim; Suzuki, Shugo; Tokunaga, Etsuko; Shibata, Norio","Successive C‒C bond cleavage, fluorination, trifluoromethylthio- and pentafluorophenylthiolation under metal-free conditions to provide compounds with dual fluoro-functionalization","Chem. Sci.","2016","7","3","2106","","10.1039/C5SC04208A","","","0.71075","MoKα","","","0.0484","","","","0.1951","","","","","","1.411","","","","has coordinates","177719","2020-10-21","18:00:00",""
"1540658","8.1328","0.0003","19.0087","0.0006","10.727","0.0004","90","","104.653","0.0009","90","","1604.39","0.1","173","","173","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C14 H14 F4 O5 S -","- C14 H14 F4 O5 S -","- C56 H56 F16 O20 S4 -","4","1","","Saidalimu, Ibrayim; Suzuki, Shugo; Tokunaga, Etsuko; Shibata, Norio","Successive C‒C bond cleavage, fluorination, trifluoromethylthio- and pentafluorophenylthiolation under metal-free conditions to provide compounds with dual fluoro-functionalization","Chem. Sci.","2016","7","3","2106","","10.1039/C5SC04208A","","","0.71075","MoKα","","","0.0408","","","","0.1568","","","","","","1.268","","","","has coordinates","177719","2020-10-21","18:00:00",""
"1540659","56.36","0.02","9.525","0.003","42.145","0.018","90","","119.716","0.008","90","","19649","13","93","2","93","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C104.2 H58 F20 N8 O1.45 S4 -","- C104.2 H58 F20 N8 O1.45 S4 -","- C833.6 H464 F160 N64 O11.6 S32 -","8","1","","Oh, Juwon; Mori, Hirotaka; Sung, Young Mo; Kim, Woojae; Osuka, Atsuhiro; Kim, Dongho","Switchable π-electronic network of bis(α-oligothienyl)-substituted hexaphyrins between helical versus rectangular circuit","Chem. Sci.","2016","7","3","2239","","10.1039/C5SC04263A","","","1.54187","CuKα","","0.2087","0.0988","","","0.2639","0.3403","","","","","","1.066","","","","has coordinates,has disorder","177724","2020-10-21","18:00:00",""
"1540660","10.2568","0.0009","19.4457","0.0018","15.3511","0.0014","90","","107.575","0.0012","90","","2918.9","0.5","88","2","88","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C32 H44 N2 Ni O2 -","- C32 H44 N2 Ni O2 -","- C128 H176 N8 Ni4 O8 -","4","1","","Cameron, Lindsay A.; Ziller, Joseph W.; Heyduk, Alan F.","Near-IR absorbing donor‒acceptor ligand-to-ligand charge-transfer complexes of nickel(ii)","Chem. Sci.","2016","7","3","1807","","10.1039/C5SC02703A","","","0.71073","MoKα","","0.0505","0.0337","","","0.0731","0.0794","","","","","","1.033","","","","has coordinates","177730","2020-10-21","18:00:00",""
"1540661","15.7714","0.001","17.0164","0.0011","18.6084","0.0012","90","","90","","90","","4994","0.6","143","2","143","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C56 H73 N3 Ni O -","- C56 H73 N3 Ni O -","- C224 H292 N12 Ni4 O4 -","4","1","","Cameron, Lindsay A.; Ziller, Joseph W.; Heyduk, Alan F.","Near-IR absorbing donor‒acceptor ligand-to-ligand charge-transfer complexes of nickel(ii)","Chem. Sci.","2016","7","3","1807","","10.1039/C5SC02703A","","","0.71073","MoKα","","0.0531","0.0387","","","0.0789","0.0839","","","","","","1.024","","","","has coordinates","177730","2020-10-21","18:00:00",""
"1540662","10.3735","0.0005","18.252","0.0008","24.6774","0.0011","90","","97.1921","0.0006","90","","4635.6","0.4","88","2","88","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C54 H65 N3 Ni O2 -","- C54 H65 N3 Ni O2 -","- C216 H260 N12 Ni4 O8 -","4","1","","Cameron, Lindsay A.; Ziller, Joseph W.; Heyduk, Alan F.","Near-IR absorbing donor‒acceptor ligand-to-ligand charge-transfer complexes of nickel(ii)","Chem. Sci.","2016","7","3","1807","","10.1039/C5SC02703A","","","0.71073","MoKα","","0.0384","0.0312","","","0.0753","0.0795","","","","","","1.022","","","","has coordinates","177730","2020-10-21","18:00:00",""
"1540663","12.0935","0.0006","34.0051","0.0017","31.9458","0.0016","90","","93.564","0.003","90","","13112","1.1","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C44 H40 N8 O8 Zn2 -","- C44 H40 N8 O8 Zn2 -","- C352 H320 N64 O64 Zn16 -","8","1","","Ju, Huiyeong; Park, In-Hyeok; Lee, Eunji; Kim, Seulgi; Jung, Jong Hwa; Ikeda, Mari; Habata, Yoichi; Lee, Shim Sung","Guest-triggered assembly of zinc(ii) supramolecular isomers with accompanying dimensional change and reversible single-crystal-to-single-crystal transformation","CrystEngComm","2016","18","9","1600","","10.1039/C5CE02194D","","","0.71073","MoKα","","0.1069","0.0535","","","0.1332","0.1446","","","","","","0.889","","","","has coordinates","177762","2020-10-21","18:00:00",""
"1540664","19.5006","0.0005","20.5981","0.0006","18.7188","0.0005","90","","116.064","0.001","90","","6754.2","0.3","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C60 H88 N12 O18 Zn2 -","- C60 H76 N12 O18 Zn2 -","- C240 H304 N48 O72 Zn8 -","4","1","","Ju, Huiyeong; Park, In-Hyeok; Lee, Eunji; Kim, Seulgi; Jung, Jong Hwa; Ikeda, Mari; Habata, Yoichi; Lee, Shim Sung","Guest-triggered assembly of zinc(ii) supramolecular isomers with accompanying dimensional change and reversible single-crystal-to-single-crystal transformation","CrystEngComm","2016","18","9","1600","","10.1039/C5CE02194D","","","0.71073","MoKα","","0.1227","0.0701","","","0.1779","0.2044","","","","","","1.108","","","","has coordinates","177762","2020-10-21","18:00:00",""
"1540665","18.6866","0.0013","15.8553","0.0012","22.302","0.002","90","","90","","90","","6607.7","0.9","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C22 H20 N4 O4 Zn -","- C22 H20 N4 O4 Zn -","- C176 H160 N32 O32 Zn8 -","8","1","","Ju, Huiyeong; Park, In-Hyeok; Lee, Eunji; Kim, Seulgi; Jung, Jong Hwa; Ikeda, Mari; Habata, Yoichi; Lee, Shim Sung","Guest-triggered assembly of zinc(ii) supramolecular isomers with accompanying dimensional change and reversible single-crystal-to-single-crystal transformation","CrystEngComm","2016","18","9","1600","","10.1039/C5CE02194D","","","0.71073","MoKα","","0.2215","0.1201","","","0.3174","0.3491","","","","","","1.024","","","","has coordinates","177762","2020-10-21","18:00:00",""
"1540666","9.987","0.004","22.605","0.012","17.815","0.006","90","","121.513","0.017","90","","3429","3","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C37 H35 N4 O4 Zn -","- C37 H35 N4 O4 Zn -","- C148 H140 N16 O16 Zn4 -","4","1","","Ju, Huiyeong; Park, In-Hyeok; Lee, Eunji; Kim, Seulgi; Jung, Jong Hwa; Ikeda, Mari; Habata, Yoichi; Lee, Shim Sung","Guest-triggered assembly of zinc(ii) supramolecular isomers with accompanying dimensional change and reversible single-crystal-to-single-crystal transformation","CrystEngComm","2016","18","9","1600","","10.1039/C5CE02194D","","","0.71073","MoKα","","0.1547","0.0677","","","0.1388","0.1801","","","","","","1.021","","","","has coordinates","177762","2020-10-21","18:00:00",""
"1540667","10.3361","0.0004","20.4349","0.0007","16.2418","0.0005","90","","91.807","0.002","90","","3428.8","0.2","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C60 H81 N9 O13 Zn2 -","- C60 H73 N9 O13 Zn2 -","- C120 H146 N18 O26 Zn4 -","2","0.5","","Ju, Huiyeong; Park, In-Hyeok; Lee, Eunji; Kim, Seulgi; Jung, Jong Hwa; Ikeda, Mari; Habata, Yoichi; Lee, Shim Sung","Guest-triggered assembly of zinc(ii) supramolecular isomers with accompanying dimensional change and reversible single-crystal-to-single-crystal transformation","CrystEngComm","2016","18","9","1600","","10.1039/C5CE02194D","","","0.71073","MoKα","","0.1281","0.0782","","","0.2376","0.2753","","","","","","1.095","","","","has coordinates","177762","2020-10-21","18:00:00",""
"1540668","20.142","0.003","15.184","0.002","25.001","0.006","90","","104.581","0.009","90","","7400","2","110","","110","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C41 H39 Cr Fe3 O5 P -","- C41 H39 Cr Fe3 O5 P -","- C328 H312 Cr8 Fe24 O40 P8 -","8","1","","Rabiee Kenaree, Amir; Sauvé, Ethan R; Ragogna, Paul J.; Gilroy, Joe B.","Group 6 metal pentacarbonyl complexes of air-stable primary, secondary, and tertiary ferrocenylethylphosphines.","Dalton transactions (Cambridge, England : 2003)","2016","45","7","2859","2867","10.1039/c5dt03961d","","","1.54178","CuKα","","0.046","0.035","","","0.0772","0.0818","","","","","","1.045","","","","has coordinates","177772","2020-10-21","18:00:00",""
"1540669","20.3","0.008","15.312","0.005","25.118","0.01","90","","104.367","0.01","90","","7563","5","110","","110","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C41 H39 Fe3 Mo O5 P -","- C41 H39 Fe3 Mo O5 P -","- C328 H312 Fe24 Mo8 O40 P8 -","8","1","","Rabiee Kenaree, Amir; Sauvé, Ethan R; Ragogna, Paul J.; Gilroy, Joe B.","Group 6 metal pentacarbonyl complexes of air-stable primary, secondary, and tertiary ferrocenylethylphosphines.","Dalton transactions (Cambridge, England : 2003)","2016","45","7","2859","2867","10.1039/c5dt03961d","","","0.71073","MoKα","","0.0456","0.0312","","","0.0633","0.0691","","","","","","1.042","","","","has coordinates","177772","2020-10-21","18:00:00",""
"1540670","20.416","0.007","7.239","0.003","25.066","0.009","90","","97.888","0.015","90","","3669","2","110","","110","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C17 H15 Fe O5 P W -","- C17 H15 Fe O5 P W -","- C136 H120 Fe8 O40 P8 W8 -","8","2","","Rabiee Kenaree, Amir; Sauvé, Ethan R; Ragogna, Paul J.; Gilroy, Joe B.","Group 6 metal pentacarbonyl complexes of air-stable primary, secondary, and tertiary ferrocenylethylphosphines.","Dalton transactions (Cambridge, England : 2003)","2016","45","7","2859","2867","10.1039/c5dt03961d","","","0.71073","MoKα","","0.0615","0.0379","","","0.0631","0.0686","","","","","","1.063","","","","has coordinates,has disorder","177772","2020-10-21","18:00:00",""
"1540671","17.504","0.002","12.9315","0.0014","12.708","0.002","90","","109.26","0.005","90","","2715.5","0.6","110","","110","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C29 H27 Fe2 O5 P W -","- C29 H27 Fe2 O5 P W -","- C116 H108 Fe8 O20 P4 W4 -","4","1","","Rabiee Kenaree, Amir; Sauvé, Ethan R; Ragogna, Paul J.; Gilroy, Joe B.","Group 6 metal pentacarbonyl complexes of air-stable primary, secondary, and tertiary ferrocenylethylphosphines.","Dalton transactions (Cambridge, England : 2003)","2016","45","7","2859","2867","10.1039/c5dt03961d","","","0.71073","MoKα","","0.0684","0.0412","","","0.0971","0.1115","","","","","","1.019","","","","has coordinates","177772","2020-10-21","18:00:00",""
"1540672","20.307","0.006","15.287","0.005","25.101","0.007","90","","104.391","0.013","90","","7548","4","110","","110","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C41 H39 Fe3 O5 P W -","- C41 H39 Fe3 O5 P W -","- C328 H312 Fe24 O40 P8 W8 -","8","1","","Rabiee Kenaree, Amir; Sauvé, Ethan R; Ragogna, Paul J.; Gilroy, Joe B.","Group 6 metal pentacarbonyl complexes of air-stable primary, secondary, and tertiary ferrocenylethylphosphines.","Dalton transactions (Cambridge, England : 2003)","2016","45","7","2859","2867","10.1039/c5dt03961d","","","0.71073","MoKα","","0.067","0.0381","","","0.0688","0.0757","","","","","","1.062","","","","has coordinates","177772","2020-10-21","18:00:00",""
"1540673","19.005","0.0011","42.763","0.002","10.6834","0.0006","90","","90","","90","","8682.5","0.8","296","2","296","2","","","","","","","","7","F d d 2","F 2 -2d","43","","","","- C32 H30 Cu2 N4 O23 P2 W5 -","- C32 H30 Cu2 N4 O23 P2 W5 -","- C256 H240 Cu16 N32 O184 P16 W40 -","8","0.5","","Ma, Hong-Xin; Du, Jing; Zhu, Zai-Ming; Lu, Ting; Su, Fang; Zhang, Lan-Cui","Controllable assembly, characterization and catalytic properties of a new Strandberg-type organophosphotungstate.","Dalton transactions (Cambridge, England : 2003)","2016","45","4","1631","1637","10.1039/c5dt04412j","","","0.71073","MoKα","","0.024","0.0238","","","0.0624","0.0625","","","","","","1.082","","","","has coordinates","176023","2020-10-21","18:00:00",""
"1540674","12.796","0.004","25.625","0.007","16.112","0.003","90","","119.955","0.016","90","","4577","2","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C60 H74 Cu3 N12 O52 W12 -","- C60 H48 Cu3 N12 O51 W12 -","- C120 H96 Cu6 N24 O102 W24 -","2","0.5","","Ma, Hong-Xin; Du, Jing; Zhu, Zai-Ming; Lu, Ting; Su, Fang; Zhang, Lan-Cui","Controllable assembly, characterization and catalytic properties of a new Strandberg-type organophosphotungstate.","Dalton transactions (Cambridge, England : 2003)","2016","45","4","1631","1637","10.1039/c5dt04412j","","","0.71073","MoKα","","0.0936","0.0854","","","0.1845","0.1888","","","","","","1.047","","","","has coordinates,has disorder","176023","2020-10-21","18:00:00",""
"1540675","8.6926","0.0009","15.5671","0.0016","15.6537","0.0016","106.257","0.003","106.034","0.003","95.639","0.003","1918.7","0.3","100","","100","","","","","","","","NA","5","P -1","-P 1","2","","","","- C51 H33 Au N6 O2 -","- C51 H33 Au N6 O2 -","- C102 H66 Au2 N12 O4 -","2","1","","Sinha, Woormileela; Sommer, Michael G.; van der Meer, Margarethe; Plebst, Sebastian; Sarkar, Biprajit; Kar, Sanjib","Structural, electrochemical and spectroelectrochemical study on the geometric and electronic structures of [(corrolato)Au(III)](n) (n = 0, +1, -1) complexes.","Dalton transactions (Cambridge, England : 2003)","2016","45","7","2914","2923","10.1039/c5dt03737a","","","0.71073","MoKα","","0.0609","0.0432","","","0.1032","0.1195","","","","","","0.995","","","","has coordinates","177787","2020-10-21","18:00:00",""
"1540676","19.866","0.004","20.099","0.004","13.362","0.003","90","","90.6","0.03","90","","5335","1.9","298","2","298","2","","","","","","","","2","P 1 21/n 1","-P 2yn","14","Slicalite-1","","","- O48 Si24 -","- O48 Si24 -","- O192 Si96 -","4","1","","Pham, Tung Cao Thanh; Docao, Son; Hwang, In Chul; Song, Mee Kyung; Choi, Do Young; Moon, Dohyun; Oleynikov, Peter; Yoon, Kyung Byung","Capture of iodine and organic iodides using silica zeolites and the semiconductor behaviour of iodine in a silica zeolite","Energy Environ. Sci.","2016","9","3","1050","","10.1039/C5EE02843D","","","0.66999","synchrotron","","0.1206","0.1053","","","0.2917","0.3011","","","","","","1.15","","","","has coordinates","181746","2020-10-21","18:00:00",""
"1540677","20.1","0.004","19.912","0.004","13.386","0.003","90","","90","","90","","5357.5","1.9","296","2","296","2","","","","","","","","3","P n m a","-P 2ac 2n","62","I2@SL-1","Iodine silicalite-1","","- I24 O192 Si96 -","- I23.9872 O192 Si96 -","- I23.9872 O192 Si96 -","1","0.125","","Pham, Tung Cao Thanh; Docao, Son; Hwang, In Chul; Song, Mee Kyung; Choi, Do Young; Moon, Dohyun; Oleynikov, Peter; Yoon, Kyung Byung","Capture of iodine and organic iodides using silica zeolites and the semiconductor behaviour of iodine in a silica zeolite","Energy Environ. Sci.","2016","9","3","1050","","10.1039/C5EE02843D","","","0.67","synchrotron","","0.0926","0.0616","","","0.1559","0.1716","","","","","","1.027","","","","has coordinates,has disorder","181746","2020-10-21","18:00:00",""
"1540678","13.354","0.003","20.087","0.004","19.868","0.004","90","","90.72","0.03","90","","5329","1.9","150","2","150","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","I2@SL-1","Iodine Silicalte-1","","- I24 O192 Si96 -","- I24 O192 Si96 -","- I24 O192 Si96 -","1","0.25","","Pham, Tung Cao Thanh; Docao, Son; Hwang, In Chul; Song, Mee Kyung; Choi, Do Young; Moon, Dohyun; Oleynikov, Peter; Yoon, Kyung Byung","Capture of iodine and organic iodides using silica zeolites and the semiconductor behaviour of iodine in a silica zeolite","Energy Environ. Sci.","2016","9","3","1050","","10.1039/C5EE02843D","","","0.7","synchrotron","","0.1354","0.1293","","","0.3674","0.372","","","","","","1.039","","","","has coordinates,has disorder","181746","2020-10-21","18:00:00",""
"1540679","13.347","0.003","20.082","0.004","19.827","0.004","90","","90.84","0.03","90","","5313.7","1.9","150","2","150","2","","","","","","","","2","P 1 21/n 1","-P 2yn","14","Silicalite-1","Silicalite-1","","- O192 Si96 -","- O192 Si96 -","- O192 Si96 -","1","0.25","","Pham, Tung Cao Thanh; Docao, Son; Hwang, In Chul; Song, Mee Kyung; Choi, Do Young; Moon, Dohyun; Oleynikov, Peter; Yoon, Kyung Byung","Capture of iodine and organic iodides using silica zeolites and the semiconductor behaviour of iodine in a silica zeolite","Energy Environ. Sci.","2016","9","3","1050","","10.1039/C5EE02843D","","","0.7","synchrotron","","0.1273","0.1199","","","0.3915","0.3963","","","","","","1.135","","","","has coordinates","181746","2020-10-21","18:00:00",""
"1540680","13.593","0.005","17.194","0.005","18.45","0.005","99.319","0.005","100.076","0.005","107.842","0.005","3933","2","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C84 H52 Cl14 Co N6 S2 -","- C42 H24 Co N6 S2 -","- C84 H48 Co2 N12 S4 -","2","1","","Vallejo, Julia; Fortea-Pérez, Francisco R.; Pardo, Emilio; Benmansour, Samia; Castro, Isabel; Krzystek, J.; Armentano, Donatella; Cano, Joan","Guest-dependent single-ion magnet behaviour in a cobalt(ii) metal‒organic framework","Chem. Sci.","2016","7","3","2286","","10.1039/C5SC04461H","","","0.71073","MoKα","","0.1824","0.1485","","","0.3876","0.4104","","","","","","1.483","","","","has coordinates","177713","2020-10-21","18:00:00",""
"1540681","13.593","0.005","17.194","0.005","18.45","0.005","99.319","0.005","100.076","0.005","107.842","0.005","3933","2","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C84 H52 Cl14 Co N6 S2 -","- C78 H48 Cl12 Co N6 S2 -","- C156 H96 Cl24 Co2 N12 S4 -","2","1","","Vallejo, Julia; Fortea-Pérez, Francisco R.; Pardo, Emilio; Benmansour, Samia; Castro, Isabel; Krzystek, J.; Armentano, Donatella; Cano, Joan","Guest-dependent single-ion magnet behaviour in a cobalt(ii) metal‒organic framework","Chem. Sci.","2016","7","3","2286","","10.1039/C5SC04461H","","","0.71073","MoKα","","0.2422","0.2181","","","0.5409","0.5584","","","","","","2.434","","","","has coordinates","177713","2020-10-21","18:00:00",""
"1540682","13.8432","0.0009","20.8218","0.0009","14.0803","0.0006","90","","96.987","0.003","90","","4028.4","0.4","100","2","100","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- C94 H72 Co N6 O4 S10 -","- C42 H24 Co N6 S2 -","- C84 H48 Co2 N12 S4 -","2","0.25","","Vallejo, Julia; Fortea-Pérez, Francisco R.; Pardo, Emilio; Benmansour, Samia; Castro, Isabel; Krzystek, J.; Armentano, Donatella; Cano, Joan","Guest-dependent single-ion magnet behaviour in a cobalt(ii) metal‒organic framework","Chem. Sci.","2016","7","3","2286","","10.1039/C5SC04461H","","","0.71073","MoKα","","0.0738","0.0697","","","0.2019","0.2056","","","","","","1.073","","","","has coordinates","177713","2020-10-21","18:00:00",""
"1540683","13.8432","0.0009","20.8218","0.0009","14.0803","0.0006","90","","96.987","0.003","90","","4028.4","0.4","100","2","100","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- C94 H72 Co N6 O4 S10 -","- C67 H32 Co N6 S6 -","- C134 H64 Co2 N12 S12 -","2","0.25","","Vallejo, Julia; Fortea-Pérez, Francisco R.; Pardo, Emilio; Benmansour, Samia; Castro, Isabel; Krzystek, J.; Armentano, Donatella; Cano, Joan","Guest-dependent single-ion magnet behaviour in a cobalt(ii) metal‒organic framework","Chem. Sci.","2016","7","3","2286","","10.1039/C5SC04461H","","","0.71073","MoKα","","0.1426","0.1372","","","0.3916","0.4001","","","","","","1.572","","","","has coordinates","177713","2020-10-21","18:00:00",""
"1540684","31.601","0.004","21.039","0.004","27.275","0.005","90","","121.629","0.011","90","","15440","5","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C84 H72 Co N6 S2 -","- C42 H24 Co N6 S2 -","- C336 H192 Co8 N48 S16 -","8","1","","Vallejo, Julia; Fortea-Pérez, Francisco R.; Pardo, Emilio; Benmansour, Samia; Castro, Isabel; Krzystek, J.; Armentano, Donatella; Cano, Joan","Guest-dependent single-ion magnet behaviour in a cobalt(ii) metal‒organic framework","Chem. Sci.","2016","7","3","2286","","10.1039/C5SC04461H","","","0.71073","MoKα","","0.1581","0.0872","","","0.2189","0.2372","","","","","","1.054","","","","has coordinates","177713","2020-10-21","18:00:00",""
"1540685","31.601","0.004","21.039","0.004","27.275","0.005","90","","121.629","0.011","90","","15440","5","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C84 H72 Co N6 S2 -","- C70 H56 Co N6 S2 -","- C560 H448 Co8 N48 S16 -","8","1","","Vallejo, Julia; Fortea-Pérez, Francisco R.; Pardo, Emilio; Benmansour, Samia; Castro, Isabel; Krzystek, J.; Armentano, Donatella; Cano, Joan","Guest-dependent single-ion magnet behaviour in a cobalt(ii) metal‒organic framework","Chem. Sci.","2016","7","3","2286","","10.1039/C5SC04461H","","","0.71073","MoKα","","0.2071","0.1359","","","0.3739","0.4006","","","","","","1.207","","","","has coordinates","177713","2020-10-21","18:00:00",""
"1540686","11.653","0.004","13.567","0.006","13.662","0.006","94.5","0.02","94.78","0.02","111.12","0.02","1994.1","1.5","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C74 H64 Co N14 S2 -","- C42 H24 Co N6 S2 -","- C42 H24 Co N6 S2 -","1","0.5","","Vallejo, Julia; Fortea-Pérez, Francisco R.; Pardo, Emilio; Benmansour, Samia; Castro, Isabel; Krzystek, J.; Armentano, Donatella; Cano, Joan","Guest-dependent single-ion magnet behaviour in a cobalt(ii) metal‒organic framework","Chem. Sci.","2016","7","3","2286","","10.1039/C5SC04461H","","","0.71073","MoKα","","0.2098","0.1702","","","0.383","0.4078","","","","","","1.884","","","","has coordinates","177713","2020-10-21","18:00:00",""
"1540687","9.5101","0.0002","12.7112","0.0003","15.1706","0.0003","111.283","0.001","95.486","0.001","107.579","0.001","1584.95","0.06","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C41 H34 Fe O4 S -","- C41 H34 Fe O4 S -","- C82 H68 Fe2 O8 S2 -","2","1","","Del Hoyo, Ana M.; Urbano, Antonio; Carreño, M Carmen","Enantioselective Synthesis of Four Stereoisomers of Sulfinyl Ferrocenyl Quinones with Central, Planar, and Helical Chirality.","Organic letters","2016","18","1","20","23","10.1021/acs.orglett.5b03029","","","0.71073","","","0.0746","0.0421","","","0.1175","0.1503","","","","","","1.103","","","","has coordinates","175822","2020-10-21","18:00:00",""
"1540692","7.72422","0.0001","8.94615","0.00012","17.2197","0.0002","90","","101.049","0.0013","90","","1167.86","0.03","288.94","0.1","288.94","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C12 H13 N O4 -","- C12 H13 N O4 -","- C48 H52 N4 O16 -","4","2","","Xiao, Wei; Yin, Xiang; Zhou, Zhi; Du, Wei; Chen, Ying-Chun","Asymmetric α,γ-Regioselective [3 + 3] Formal Cycloadditions of α,β-Unsaturated Aldehydes via Cascade Dienamine-Dienamine Catalysis.","Organic letters","2016","18","1","116","119","10.1021/acs.orglett.5b03355","","x-ray","1.54184","CuKα","","0.0319","0.0304","","","0.0856","0.0874","","","","","","1.029","","","","has coordinates","214153","2020-10-21","18:00:00",""
"1540693","19.477","0.002","24.208","0.002","13.2882","0.0016","90","","131.418","0.006","90","","4698.4","0.9","100","2","100","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C39 H45 Cl9 N6 O6 -","- C39 H43.5 Cl9 N6 O6 -","- C156 H174 Cl36 N24 O24 -","4","1","","Kieryk, Przemysław; Janczak, Jan; Panek, Jarosław; Miklitz, Marcin; Lisowski, Jerzy","Chiral 2 + 3 Keto-Enamine Pseudocyclophanes Derived from 1,3,5-Triformylphloroglucinol.","Organic letters","2016","18","1","12","15","10.1021/acs.orglett.5b02989","","","0.71073","MoKα","","0.1054","0.0844","","","0.1825","0.1957","","","","","","1.034","","","","has coordinates,has disorder","175824","2020-10-21","18:00:00",""
"1540694","19.47","0.003","24.1563","0.0014","13.2943","0.0017","90","","131.46","0.02","90","","4685.8","1.7","100","2","100","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C39 H45 Cl9 N6 O6 -","- C39 H44 Cl9 N6 O6 -","- C156 H176 Cl36 N24 O24 -","4","1","","Kieryk, Przemysław; Janczak, Jan; Panek, Jarosław; Miklitz, Marcin; Lisowski, Jerzy","Chiral 2 + 3 Keto-Enamine Pseudocyclophanes Derived from 1,3,5-Triformylphloroglucinol.","Organic letters","2016","18","1","12","15","10.1021/acs.orglett.5b02989","","","0.71073","MoKα","","0.1077","0.0864","","","0.1773","0.1961","","","","","","1.009","","","","has coordinates,has disorder","175824","2020-10-21","18:00:00",""
"1540695","11.045","0.002","12.916","0.003","14.84","0.003","90","","111.48","0.03","90","","1970","0.8","273","2","273","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","N-(4-fluoro-3-oxoisochroman-4-yl)-N-(phenylsulfonyl)benzenesulfonamide","","- C21 H16 F N O6 S2 -","- C21 H16 F N O6 S2 -","- C84 H64 F4 N4 O24 S8 -","4","1","","Chen, Gui; Song, Jinshuai; Yu, Yinghua; Luo, Xuesong; Li, Chunsen; Huang, Xueliang","Aminofluorination: transition-metal-free N‒F bond insertion into diazocarbonyl compounds","Chem. Sci.","2016","7","3","1786","","10.1039/C5SC04237B","","","0.71073","MoKα","","0.0945","0.0556","","","0.1238","0.1473","","","","","","1.003","","","","has coordinates","177717","2020-10-21","18:00:00",""
"1540697","8.1717","0.0003","24.8088","0.001","11.6477","0.0005","90","","94.354","0.004","90","","2354.52","0.16","100","","100","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","1-Dy","","- C27 H34 As Dy -","- C27 H34 As Dy -","- C108 H136 As4 Dy4 -","4","1","","Pugh, Thomas; Vieru, Veacheslav; Chibotaru, Liviu F.; Layfield, Richard A.","Magneto-structural correlations in arsenic- and selenium-ligated dysprosium single-molecule magnets","Chem. Sci.","2016","7","3","2128","","10.1039/C5SC03755G","","","0.71073","MoKα","","0.0302","0.0252","","","0.0516","0.0545","","","","","","1.05","","","","has coordinates,has disorder","177714","2020-10-21","18:00:00",""
"1540698","14.9242","0.0003","18.6105","0.0004","23.7155","0.0005","90","","103.461","0.002","90","","6406","0.2","150","","150","","","","","","","","","4","C 1 c 1","C -2yc","9","","2-Dy","","- C70 H83 As3 Dy3 -","- C70 H83 As3 Dy3 -","- C280 H332 As12 Dy12 -","4","1","","Pugh, Thomas; Vieru, Veacheslav; Chibotaru, Liviu F.; Layfield, Richard A.","Magneto-structural correlations in arsenic- and selenium-ligated dysprosium single-molecule magnets","Chem. Sci.","2016","7","3","2128","","10.1039/C5SC03755G","","","0.71073","MoKα","","0.043","0.0384","","","0.0894","0.1035","","","","","","1.117","","","","has coordinates","177714","2020-10-21","18:00:00",""
"1540699","22.451","0.0004","15.8357","0.0003","28.0477","0.0005","90","","95.47","0.002","90","","9926.3","0.3","150.01","0.11","150.01","0.11","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","3-Dy","","- C99 H147 As3 Dy3 Li3 O9 -","- C99 H147 As3 Dy3 Li3 O9 -","- C396 H588 As12 Dy12 Li12 O36 -","4","1","","Pugh, Thomas; Vieru, Veacheslav; Chibotaru, Liviu F.; Layfield, Richard A.","Magneto-structural correlations in arsenic- and selenium-ligated dysprosium single-molecule magnets","Chem. Sci.","2016","7","3","2128","","10.1039/C5SC03755G","","","0.71073","MoKα","","0.0374","0.0303","","","0.0622","0.0648","","","","","","1.102","","","","has coordinates,has disorder","177714","2020-10-21","18:00:00",""
"1540700","14.8845","0.0013","18.4953","0.0014","23.4214","0.0018","90","","103.098","0.008","90","","6280","0.9","100","","100","","","","","","","","","4","C 1 c 1","C -2yc","9","","4-Dy","","- C70 H83 Dy3 Se3 -","- C70 H83 Dy3 Se3 -","- C280 H332 Dy12 Se12 -","4","1","","Pugh, Thomas; Vieru, Veacheslav; Chibotaru, Liviu F.; Layfield, Richard A.","Magneto-structural correlations in arsenic- and selenium-ligated dysprosium single-molecule magnets","Chem. Sci.","2016","7","3","2128","","10.1039/C5SC03755G","","","0.71073","MoKα","","0.0512","0.0401","","","0.0806","0.087","","","","","","1.021","","","","has coordinates","177714","2020-10-21","18:00:00",""
"1540701","14.9029","0.0001","18.4253","0.0001","23.423","0.0002","90","","103.035","0.001","90","","6266","0.08","100","","100","","","","","","","","","4","C 1 c 1","C -2yc","9","","4-Y","","- C70 H83 Se3 Y3 -","- C70 H83 Se3 Y3 -","- C280 H332 Se12 Y12 -","4","1","","Pugh, Thomas; Vieru, Veacheslav; Chibotaru, Liviu F.; Layfield, Richard A.","Magneto-structural correlations in arsenic- and selenium-ligated dysprosium single-molecule magnets","Chem. Sci.","2016","7","3","2128","","10.1039/C5SC03755G","","","1.54178","CuKα","","0.0225","0.0224","","","0.0582","0.0582","","","","","","1.076","","","","has coordinates","177714","2020-10-21","18:00:00",""
"1540702","7.7728","0.0004","8.7954","0.0006","13.4794","0.0007","81.826","0.004","79.433","0.003","64.156","0.002","813.27","0.08","90","2","90","2","","","","","","","","6","P -1","-P 1","2","In(DMSO)3Cl3","trichlorotris(dimethyl sulfoxide)indium(III)","","- C6 H18 Cl3 In O3 S3 -","- C6 H18 Cl3 In O3 S3 -","- C12 H36 Cl6 In2 O6 S6 -","2","1","","Uhl, A. R.; Katahara, J. K.; Hillhouse, H. W.","Molecular-ink route to 13.0% efficient low-bandgap CuIn(S,Se)2and 14.7% efficient Cu(In,Ga)(S,Se)2solar cells","Energy Environ. Sci.","2016","9","1","130","","10.1039/C5EE02870A","","","0.71073","MoKα","","0.0461","0.0348","","","0.0684","0.0715","","","","","","1.07","","","","has coordinates","176119","2020-10-21","18:00:00",""
"1540703","47.6239","0.0019","16.6379","0.0007","36.1489","0.0013","90","","127.438","0.002","90","","22742.9","1.7","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C180 H150 Ag12 Au13 Cl8 P10 -","- C180 H150 Ag12 Au13 Cl8 P10 -","- C720 H600 Ag48 Au52 Cl32 P40 -","4","0.5","","Liu, Lingli; Song, Yongbo; Chong, Hanbao; Yang, Sha; Xiang, Ji; Jin, Shan; Kang, Xi; Zhang, Jun; Yu, Haizhu; Zhu, Manzhou","Size-confined growth of atom-precise nanoclusters in metal-organic frameworks and their catalytic applications.","Nanoscale","2016","8","3","1407","1412","10.1039/c5nr06930k","","","0.71073","MoKα","","0.0896","0.054","","","0.1475","0.1592","","","","","","0.981","","","","has coordinates","176123","2020-10-21","18:00:00",""
"1540707","24.4634","0.0019","6.1982","0.0004","25.443","0.002","90","","90","","90","","3857.9","0.5","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","hd_bam","hd_bam_0ma","","- C21 H16 F2 N4 O4 -","- C21 H16 F2 N4 O4 -","- C168 H128 F16 N32 O32 -","8","1","","Dang, Hester; Whittaker, Aaron M.; Lalic, Gojko","Catalytic activation of a single C‒F bond in trifluoromethyl arenes","Chem. Sci.","2016","7","1","505","","10.1039/C5SC03415A","","","0.71073","MoKα","","0.1047","0.0487","","","0.0925","0.1112","","","","","","1.003","","","","has coordinates","171583","2020-10-21","18:00:00",""
"1540708","23.597","0.003","14.073","0.002","19.874","0.003","90","","93.283","0.002","90","","6588.9","1.6","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C32 H38 Cs3 O6 -","- C32 H38 Cs3 O6 -","- C256 H304 Cs24 O48 -","8","1","","Zabula, Alexander V.; Spisak, Sarah N.; Filatov, Alexander S.; Rogachev, Andrey Yu.; Clérac, Rodolphe; Petrukhina, Marina A.","Supramolecular trap for a transient corannulene trianion","Chem. Sci.","2016","7","3","1954","","10.1039/C5SC04385A","","","0.71073","Mo-Kα","","0.0598","0.0449","","","0.0978","0.1052","","","","","","1.09","","","","has coordinates","177723","2020-10-21","18:00:00",""
"1540709","6.6911","0.0015","10.822","0.002","12.259","0.003","85.174","0.004","76.655","0.004","84.714","0.004","858.2","0.3","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C9 H10 N18 O4 -","- C9 H10 N18 O4 -","- C18 H20 N36 O8 -","2","1","","Li, Xin; Liu, Xiangyu; Zhang, Sheng; Wu, Haipeng; Wang, Bozhou; Yang, Qi; Wei, Qing; Xie, Gang; Chen, Sanping; Gao, Shengli","A Low Sensitivity Energetic Salt Based on Furazan Derivative and Melamine: Synthesis, Structure, Density Functional Theory Calculation, and Physicochemical Property","Journal of Chemical & Engineering Data","2016","61","1","207","","10.1021/acs.jced.5b00458","","","0.71073","MoKα","","0.1612","0.1096","","","0.2395","0.2635","","","","","","1.023","","","","has coordinates","175790","2020-10-21","18:00:00",""
"1540710","8.464","0.0003","15.4214","0.0005","19.4594","0.0007","90","","90","","90","","2539.97","0.15","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C26 H30 O9 -","- C26 H30 O9 -","- C104 H120 O36 -","4","1","","Wang, Wei-Guang; Li, Ao; Yan, Bing-Chao; Niu, Shu-Bin; Tang, Jian-Wei; Li, Xiao-Nian; Du, Xue; Challis, Gregory L.; Che, Yongsheng; Sun, Han-Dong; Pu, Jian-Xin","LC-MS-Guided Isolation of Penicilfuranone A: A New Antifibrotic Furancarboxylic Acid from the Plant Endophytic Fungus Penicillium sp. sh18.","Journal of natural products","2016","79","1","149","155","10.1021/acs.jnatprod.5b00814","","","1.54178","CuKα","","0.054","0.0521","","","0.1648","0.1741","","","","","","1.046","","","","has coordinates","175791","2020-10-21","18:00:00",""
"1540711","11.852","0.002","17.309","0.003","18.485","0.004","102.763","0.003","90.722","0.003","94.945","0.003","3682.7","1.2","203","2","203","2","","","","","","","","5","P -1","-P 1","2","","","","- C75 H80 Cl4 N8 O7 -","- C75 H80 Cl4 N8 O7 -","- C150 H160 Cl8 N16 O14 -","2","1","","Meng, Xianfu; Xu, Yanxia; Liu, Jinliang; Sun, Lining; Shi, Liyi","A new fluorescent rhodamine B derivative as an “off‒on” chemosensor for Cu2+with high selectivity and sensitivity","Anal. Methods","2016","8","5","1044","","10.1039/C5AY02792F","","","0.71073","MoKα","","0.1383","0.1058","","","0.3019","0.3355","","","","","","1.233","","","","has coordinates,has disorder","175857","2020-10-21","18:00:00",""
"1540715","28.4784","0.0007","28.4784","0.0007","13.6334","0.0004","90","","90","","90","","11057","0.5","200.01","0.1","200.01","0.1","","","","","","","","5","I 41/a","-I 4ad","88","","Sr-NDI","","- C44 H44 N4 O23 Sr2 -","- C44 H44 N4 O23 Sr2 -","- C352 H352 N32 O184 Sr16 -","8","","","Garai, Bikash; Mallick, Arijit; Banerjee, Rahul","Photochromic metal‒organic frameworks for inkless and erasable printing","Chem. Sci.","2016","7","3","2195","","10.1039/C5SC04450B","","x-ray","0.71073","MoKα","","0.181","0.1393","","","0.3624","0.3919","","","","","","0.93","","","","has coordinates","177715","2020-10-21","18:00:00",""
"1540716","7.645","0.005","11.246","0.005","12.326","0.005","95.39","0.005","105.282","0.005","93.459","0.005","1013.7","0.9","327","2","327","2","","","","","","","","7","P -1","-P 1","2","","DSF","","- C17 H19 F6 N2 O P S2 -","- C17 H19 F6 N2 O P S2 -","- C34 H38 F12 N4 O2 P2 S4 -","2","1","","Li, Dandan; Tian, Xiaohe; Wang, Aidong; Guan, Lijuan; Zheng, Jun; Li, Fei; Li, Shengli; Zhou, Hongping; Wu, Jieying; Tian, Yupeng","Nucleic acid-selective light-up fluorescent biosensors for ratiometric two-photon imaging of the viscosity of live cells and tissues","Chem. Sci.","2016","7","3","2257","","10.1039/C5SC03956H","","","0.71069","MoKα","","0.0943","0.0733","","","0.2026","0.2238","","","","","","1.042","","","","has coordinates","177728","2020-10-21","18:00:00",""
"1540717","6.916","0.0007","8.3188","0.0008","10.4144","0.0009","76.992","0.003","76.986","0.003","86.369","0.004","568.75","0.09","218","2","218","2","","","","","","","","4","P -1","-P 1","2","","","","- C14 H11 N O3 -","- C14 H11 N O3 -","- C28 H22 N2 O6 -","2","1","","Mallick, Suman; Chandra, Falguni; Koner, Apurba L.","A ratiometric fluorescent probe for detection of biogenic primary amines with nanomolar sensitivity.","The Analyst","2016","141","3","827","831","10.1039/c5an01911g","","","0.71073","MoKα","","0.0516","0.0398","","","0.1103","0.1182","","","","","","1.077","","","","has coordinates","175856","2020-10-21","18:00:00",""
"1540718","11.2087","0.0004","15.5479","0.0006","20.7874","0.0008","90","","97.185","0.001","90","","3594.2","0.2","296","2","296","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C35 H37 F3 N O7 P2 Rh S -","- C35 H37 F3 N O7 P2 Rh S -","- C140 H148 F12 N4 O28 P8 Rh4 S4 -","4","1","","Wang, Peng; Liu, Huan; Li, Yong-Qi; Zhao, Xiao-Li; Lu, Yong; Liu, Ye","Phosphonium-based aminophosphines as bifunctional ligands for sequential catalysis of one-pot hydroformylation‒acetalization of olefins","Catal. Sci. Technol.","2016","6","11","3854","","10.1039/C5CY01827G","","","0.71073","MoKα","","0.0574","0.0436","","","0.1064","0.1168","","","","","","1.032","","","","has coordinates","185093","2020-10-21","18:00:00",""
"1540719","9.617","0.011","16.2","0.019","37.85","0.05","90","","90","","90","","5897","12","100","","100","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","chemosensor S2","","- C61 H44 Cl3 N7 O11 -","- C61 H44 Cl3 N7 O11 -","- C244 H176 Cl12 N28 O44 -","4","1","","Akdeniz, Ali; Minami, Tsuyoshi; Watanabe, Sagiri; Yokoyama, Maki; Ema, Tadashi; Anzenbacher, Pavel","Determination of enantiomeric excess of carboxylates by fluorescent macrocyclic sensors","Chem. Sci.","2016","7","3","2016","","10.1039/C5SC04235F","","","0.71075","MoKα","","0.2332","0.1267","","","0.2376","0.2814","","","","","","1.369","","","","has coordinates","177727","2020-10-21","18:00:00",""
"1540720","7.234","0.001","10.321","0.001","19.308","0.002","85.37","0.01","79.85","0.02","69.87","0.01","1332","0.3","173","2","173","2","","","","","","","","3","P 1","P 1","1","","","","- C27 H38 O4 -","- C27 H38 O4 -","- C54 H76 O8 -","2","2","","Cimmino, Alessio; Mathieu, Veronique; Masi, Marco; Baroncelli, Riccardo; Boari, Angela; Pescitelli, Gennaro; Ferderin, Marlène; Lisy, Romana; Evidente, Marco; Tuzi, Angela; Zonno, Maria Chiara; Kornienko, Alexander; Kiss, Robert; Evidente, Antonio","Higginsianins A and B, Two Diterpenoid α-Pyrones Produced by Colletotrichum higginsianum, with in Vitro Cytostatic Activity.","Journal of natural products","2016","79","1","116","125","10.1021/acs.jnatprod.5b00779","","","0.71073","MoKα","","0.2219","0.1026","","","0.2105","0.2528","","","","","","0.896","","","","has coordinates","175794","2020-10-21","18:00:00",""
"1540721","18.6608","0.0013","19.993","0.0015","21.8841","0.0015","90","","90","","90","","8164.6","1","296","2","296","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C43 H40 F6 N3 P3 Ru S -","- C43 H40 F6 N3 P3 Ru S -","- C344 H320 F48 N24 P24 Ru8 S8 -","8","1","","de Camargo, Mariana S.; da Silva, Monize M.; Correa, Rodrigo S.; Vieira, Sara D.; Castelli, Silvia; D'Anessa, Ilda; De Grandis, Rone; Varanda, Eliana; Deflon, Victor M.; Desideri, Alessandro; Batista, Alzir A.","Inhibition of human DNA topoisomerase IB by nonmutagenic ruthenium(ii)-based compounds with antitumoral activity.","Metallomics : integrated biometal science","2016","8","2","179","192","10.1039/c5mt00227c","","","0.71073","MoKα","","0.0653","0.0445","","","0.1127","0.1292","","","","","","1.038","","","","has coordinates,has disorder","177882","2020-10-21","18:00:00",""
"1540722","18.3794","0.0011","19.6522","0.0012","21.8753","0.0013","90","","90","","90","","7901.3","0.8","296","2","296","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C42 H39 F6 N4 P3 Ru S -","- C42 H39 F6 N4 P3 Ru S -","- C336 H312 F48 N32 P24 Ru8 S8 -","8","1","","de Camargo, Mariana S.; da Silva, Monize M.; Correa, Rodrigo S.; Vieira, Sara D.; Castelli, Silvia; D'Anessa, Ilda; De Grandis, Rone; Varanda, Eliana; Deflon, Victor M.; Desideri, Alessandro; Batista, Alzir A.","Inhibition of human DNA topoisomerase IB by nonmutagenic ruthenium(ii)-based compounds with antitumoral activity.","Metallomics : integrated biometal science","2016","8","2","179","192","10.1039/c5mt00227c","","","0.71073","MoKα","","0.123","0.0661","","","0.1692","0.2013","","","","","","1.025","","","","has coordinates,has disorder","177882","2020-10-21","18:00:00",""
"1540723","11.738","0.003","13.856","0.003","17.106","0.003","90","","90","","90","","2782.1","1.1","173","2","173","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C31 H48 O4 -","- C31 H48 O4 -","- C124 H192 O16 -","4","1","","Xu, Jing; Kang, Jing; Sun, Xiaocong; Cao, Xiangrong; Rena, Kasimu; Lee, Dongho; Ren, Quanhui; Li, Shen; Ohizumi, Yasushi; Guo, Yuanqiang","Di- and Triterpenoids from the Leaves of Casearia balansae and Neurite Outgrowth Promoting Effects of PC12 Cells.","Journal of natural products","2016","79","1","170","179","10.1021/acs.jnatprod.5b00815","","","1.54187","CuKα","","0.0501","0.0424","","","0.1094","0.1145","","","","","","1.028","","","","has coordinates","175793","2020-10-21","18:00:00",""
"1540724","9.43","0.0019","4.738","0.0009","18.556","0.004","90","","91.27","0.03","90","","828.9","0.3","100","","100","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C15 H24 N4 O4 -","- C15 H24 N4 O4 -","- C30 H48 N8 O8 -","2","1","","Beckmann, Sabrina; Welte, Cornelia; Li, Xiaomin; Oo, Yee M.; Kroeninger, Lena; Heo, Yooun; Zhang, Miaomiao; Ribeiro, Daniela; Lee, Matthew; Bhadbhade, Mohan; Marjo, Christopher E.; Seidel, Jan; Deppenmeier, Uwe; Manefield, Mike","Novel phenazine crystals enable direct electron transfer to methanogens in anaerobic digestion by redox potential modulation","Energy Environ. Sci.","2016","9","2","644","","10.1039/C5EE03085D","","","0.71073","MoKα","","0.2255","0.2218","","","0.4964","0.5053","","","","","","2.728","","","","has coordinates","177878","2020-10-21","18:00:00",""
"1540725","18.1246","0.001","12.1526","0.0009","11.0558","0.0006","90","","94.177","0.005","90","","2428.7","0.3","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C7.75 H3 Co1.5 N3.25 O3.25 -","- C7.75 H4.75 Co1.5 N3.25 O3.25 -","- C62 H38 Co12 N26 O26 -","8","1","","Ren, Hai-Yun; Zhang, Xian-Ming","Enhanced Selective CO2Capture upon Incorporation of Dimethylformamide in the Cobalt Metal‒Organic Framework [Co3(OH)2(btca)2]","Energy & Fuels","2016","30","1","526","","10.1021/acs.energyfuels.5b02393","","","1.54184","CuKα","","0.1013","0.0494","","","0.13","0.1522","","","","","","1.061","","","","has coordinates","175779","2020-10-21","18:00:00",""
"1540726","8.6391","0.0001","7.926","0.0001","11.5438","0.0002","90","","98.41","0.001","90","","781.945","0.019","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","(-)-19(R)-hydroxyeburnamenine","","","- C19 H22 N2 O -","- C19 H22 N2 O -","- C38 H44 N4 O2 -","2","1","","Yap, Wai-Sum; Gan, Chew-Yan; Sim, Kae-Shin; Lim, Siew-Huah; Low, Yun-Yee; Kam, Toh-Seok","Aspidofractinine and Eburnane Alkaloids from a North Borneo Kopsia. Ring-Contracted, Additional Ring-Fused, and Paucidactine-Type Aspidofractinine Alkaloids from K. pauciflora.","Journal of natural products","2016","79","1","230","239","10.1021/acs.jnatprod.5b00992","","","0.71073","MoKα","","0.0514","0.0419","","","0.0918","0.1068","","","","","","1.071","","","","has coordinates","175792","2020-10-21","18:00:00",""
"1540727","14.2796","0.0004","7.9986","0.0002","15.778","0.0005","90","","116.781","0.002","90","","1608.81","0.08","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","Larutienine B","","","- C19 H22 N2 O2 -","- C19 H22 N2 O2 -","- C76 H88 N8 O8 -","4","2","","Yap, Wai-Sum; Gan, Chew-Yan; Sim, Kae-Shin; Lim, Siew-Huah; Low, Yun-Yee; Kam, Toh-Seok","Aspidofractinine and Eburnane Alkaloids from a North Borneo Kopsia. Ring-Contracted, Additional Ring-Fused, and Paucidactine-Type Aspidofractinine Alkaloids from K. pauciflora.","Journal of natural products","2016","79","1","230","239","10.1021/acs.jnatprod.5b00992","","","0.71073","MoKα","","0.064","0.0473","","","0.0948","0.1004","","","","","","0.917","","","","has coordinates","175792","2020-10-21","18:00:00",""
"1540728","9.9492","0.0005","8.2037","0.0004","13.0494","0.0007","90","","109.845","0.003","90","","1001.84","0.09","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","Paucidactinine","","","- C23 H24 N2 O7 -","- C23 H24 N2 O7 -","- C46 H48 N4 O14 -","2","1","","Yap, Wai-Sum; Gan, Chew-Yan; Sim, Kae-Shin; Lim, Siew-Huah; Low, Yun-Yee; Kam, Toh-Seok","Aspidofractinine and Eburnane Alkaloids from a North Borneo Kopsia. Ring-Contracted, Additional Ring-Fused, and Paucidactine-Type Aspidofractinine Alkaloids from K. pauciflora.","Journal of natural products","2016","79","1","230","239","10.1021/acs.jnatprod.5b00992","","","0.71073","MoKα","","0.0664","0.0535","","","0.1226","0.1282","","","","","","1.037","","","","has coordinates","175792","2020-10-21","18:00:00",""
"1540729","6.7581","0.0002","11.4548","0.0003","23.3157","0.0006","90","","90","","90","","1804.93","0.09","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","Paucidirinine","","","- C21 H26 N2 O4 -","- C21 H26 N2 O4 -","- C84 H104 N8 O16 -","4","1","","Yap, Wai-Sum; Gan, Chew-Yan; Sim, Kae-Shin; Lim, Siew-Huah; Low, Yun-Yee; Kam, Toh-Seok","Aspidofractinine and Eburnane Alkaloids from a North Borneo Kopsia. Ring-Contracted, Additional Ring-Fused, and Paucidactine-Type Aspidofractinine Alkaloids from K. pauciflora.","Journal of natural products","2016","79","1","230","239","10.1021/acs.jnatprod.5b00992","","","0.71073","MoKα","","0.043","0.0361","","","0.0885","0.0994","","","","","","1.073","","","","has coordinates","175792","2020-10-21","18:00:00",""
"1540730","6.662","0.0004","9.811","0.0005","34.444","0.0018","90","","90","","90","","2251.3","0.2","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","Paucidirisine","","","- C25 H28 Cl2 N2 O3 -","- C25 H28 Cl2 N2 O3 -","- C100 H112 Cl8 N8 O12 -","4","1","","Yap, Wai-Sum; Gan, Chew-Yan; Sim, Kae-Shin; Lim, Siew-Huah; Low, Yun-Yee; Kam, Toh-Seok","Aspidofractinine and Eburnane Alkaloids from a North Borneo Kopsia. Ring-Contracted, Additional Ring-Fused, and Paucidactine-Type Aspidofractinine Alkaloids from K. pauciflora.","Journal of natural products","2016","79","1","230","239","10.1021/acs.jnatprod.5b00992","","","0.71073","MoKα","","0.1258","0.06","","","0.1277","0.1664","","","","","","0.853","","","","has coordinates","175792","2020-10-21","18:00:00",""
"1540731","8.4666","0.0003","12.1895","0.0004","16.9938","0.0006","90","","90","","90","","1753.82","0.1","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","(-)-19(R)-hydroxy-O-ethylisoeburnamine","","","- C21 H28 N2 O2 -","- C21 H28 N2 O2 -","- C84 H112 N8 O8 -","4","1","","Yap, Wai-Sum; Gan, Chew-Yan; Sim, Kae-Shin; Lim, Siew-Huah; Low, Yun-Yee; Kam, Toh-Seok","Aspidofractinine and Eburnane Alkaloids from a North Borneo Kopsia. Ring-Contracted, Additional Ring-Fused, and Paucidactine-Type Aspidofractinine Alkaloids from K. pauciflora.","Journal of natural products","2016","79","1","230","239","10.1021/acs.jnatprod.5b00992","","","0.71073","MoKα","","0.111","0.0603","","","0.0997","0.1151","","","","","","1.022","","","","has coordinates","175792","2020-10-21","18:00:00",""
"1540732","6.1843","0.0015","7.4512","0.0013","11.96","0.002","95.69","0.015","95.67","0.018","100.847","0.018","534.7","0.19","295","2","295","2","","","","","","","","3","P -1","-P 1","2","","","","- C30 H22 N2 -","- C30 H22 N2 -","- C30 H22 N2 -","1","0.5","","Wu, Jia-Ying; Yu, Cheng-Han; Wen, Jung-Jung; Chang, Chiou-Ling; Leung, Man-Kit","Pyrrolo-[3,2-b]pyrroles for Photochromic Analysis of Halocarbons.","Analytical chemistry","2016","88","2","1195","1201","10.1021/acs.analchem.5b03374","","","1.54178","CuKα","","0.1229","0.0798","","","0.2003","0.234","","","","","","1.082","","","","has coordinates","175767","2020-10-21","18:00:00",""
"1540733","14.2789","0.0013","8.5519","0.001","36.498","0.003","90","","90.697","0.01","90","","4456.5","0.8","150","2","150","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C61 H48 N4 -","- C61 H48 N4 -","- C244 H192 N16 -","4","1","","Wu, Jia-Ying; Yu, Cheng-Han; Wen, Jung-Jung; Chang, Chiou-Ling; Leung, Man-Kit","Pyrrolo-[3,2-b]pyrroles for Photochromic Analysis of Halocarbons.","Analytical chemistry","2016","88","2","1195","1201","10.1021/acs.analchem.5b03374","","","0.71073","MoKα","","0.2733","0.0951","","","0.1523","0.2248","","","","","","0.968","","","","has coordinates","175767","2020-10-21","18:00:00",""
"1540734","10.5757","0.0018","13.339","0.002","15.978","0.003","97.35","0.014","106.509","0.015","107.809","0.016","1999.7","0.7","200","2","200","2","","","","","","","","3","P -1","-P 1","2","","","","- C54 H40 N4 -","- C54 H40 N4 -","- C108 H80 N8 -","2","1","","Wu, Jia-Ying; Yu, Cheng-Han; Wen, Jung-Jung; Chang, Chiou-Ling; Leung, Man-Kit","Pyrrolo-[3,2-b]pyrroles for Photochromic Analysis of Halocarbons.","Analytical chemistry","2016","88","2","1195","1201","10.1021/acs.analchem.5b03374","","","1.54178","CuKα","","0.2052","0.0844","","","0.2282","0.3529","","","","","","0.908","","","","has coordinates","175767","2020-10-21","18:00:00",""
"1540735","10.2721","0.0015","12.99","0.0019","9.383","0.0014","90","","90","","90","","1252","0.3","296","2","296.15","","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C14 H12 N2 O4 -","- C14 H12 N2 O4 -","- C56 H48 N8 O16 -","4","1","","Piechowicz, Marek; Abney, Carter W.; Zhou, Xin; Thacker, Nathan C.; Li, Zhong; Lin, Wenbin","Design, Synthesis, and Characterization of a Bifunctional Chelator with Ultrahigh Capacity for Uranium Uptake from Seawater Simulant","Industrial & Engineering Chemistry Research","2016","55","15","4170","","10.1021/acs.iecr.5b03304","","","0.41328","","","0.1045","0.0602","","","0.126","0.1437","","","","","","1.015","","","","has coordinates","182491","2020-10-21","18:00:00",""
"1540736","8.5418","0.0014","6.32","0.0012","11.847","0.002","90","","107.98","0.02","90","","608.3","0.2","295","2","295","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C14 H12 N2 O2 -","- C14 H12 N2 O2 -","- C28 H24 N4 O4 -","2","0.5","","Ma, Xiaofeng; Sun, Rui; Cheng, Jinghui; Liu, Jiaoyan; Gou, Fei; Xiang, Haifeng; Zhou, Xiangge","Fluorescence Aggregation-Caused Quenching versus Aggregation-Induced Emission: A Visual Teaching Technology for Undergraduate Chemistry Students","Journal of Chemical Education","2016","93","2","345","","10.1021/acs.jchemed.5b00483","","","0.71073","MoKα","","0.0719","0.0453","","","0.0828","0.0941","","","","","","1.026","","","","has coordinates","186955","2020-10-21","18:00:00",""
"1540737","8.8043","0.0013","11.5507","0.0016","24.957","0.003","90","","90","","90","","2538","0.6","223","2","223","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C10 H17 Br O4 -","- C10 H17 Br O4 -","- C80 H136 Br8 O32 -","8","2","","Shim, Su Yong; Kim, Jae Yeon; Nam, Miso; Hwang, Geum-Sook; Ryu, Do Hyun","Enantioselective Cyclopropanation with α-Alkyl-α-diazoesters Catalyzed by Chiral Oxazaborolidinium Ion: Total Synthesis of (+)-Hamavellone B.","Organic letters","2016","18","2","160","163","10.1021/acs.orglett.5b02970","","","0.71073","MoKα","","0.0729","0.0362","","","0.0595","0.0687","","","","","","1.022","","","","has coordinates","175813","2020-10-21","18:00:00",""
"1540738","11.0816","0.0006","26.6736","0.0015","9.2178","0.0005","90","","107.909","0.001","90","","2592.6","0.2","143","2","143","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C33 H24 Br N3 O -","- C33 H24 Br N3 O -","- C132 H96 Br4 N12 O4 -","4","1","","Mazaheripour, Amir; Dibble, David J.; Umerani, Mehran J.; Park, Young S.; Lopez, Robert; Laidlaw, Dylan; Vargas, Eriberto; Ziller, Joseph W.; Gorodetsky, Alon A.","An Aza-Diels-Alder Approach to Crowded Benzoquinolines.","Organic letters","2016","18","2","156","159","10.1021/acs.orglett.5b02939","","","0.71073","MoKα","","0.0329","0.0276","","","0.0698","0.0722","","","","","","1.04","","","","has coordinates","175815","2020-10-21","18:00:00",""
"1540739","7.8355","0.0004","11.0538","0.0006","12.4164","0.0007","101.799","0.0005","91.9711","0.0006","102.741","0.0006","1023.2","0.1","143","2","143","2","","","","","","","","4","P -1","-P 1","2","","","","- C25 H28 Br N -","- C25 H28 Br N -","- C50 H56 Br2 N2 -","2","1","","Mazaheripour, Amir; Dibble, David J.; Umerani, Mehran J.; Park, Young S.; Lopez, Robert; Laidlaw, Dylan; Vargas, Eriberto; Ziller, Joseph W.; Gorodetsky, Alon A.","An Aza-Diels-Alder Approach to Crowded Benzoquinolines.","Organic letters","2016","18","2","156","159","10.1021/acs.orglett.5b02939","","","0.71073","MoKα","","0.0225","0.0212","","","0.0561","0.0567","","","","","","1.112","","","","has coordinates","175815","2020-10-21","18:00:00",""
"1540740","14.031","0.0007","8.951","0.0003","20.9862","0.0011","90","","106.794","0.006","90","","2523.3","0.2","293.33","0.1","293.33","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C32 H27 N2 O2 P -","- C32 H27 N2 O2 P -","- C128 H108 N8 O8 P4 -","4","1","","Hua, Hui-Liang; Zhang, Bo-Sheng; He, Yu-Tao; Qiu, Yi-Feng; Wu, Xin-Xing; Xu, Peng-Fei; Liang, Yong-Min","Silver-Catalyzed Oxidative Cyclization of Propargylamide-Substituted Indoles: Synthesis of Phosphorated Indoloazepinones Derivatives.","Organic letters","2016","18","2","216","219","10.1021/acs.orglett.5b03329","","x-ray","0.71073","MoKα","","0.0916","0.0575","","","0.1134","0.1396","","","","","","1.053","","","","has coordinates","175816","2020-10-21","18:00:00",""
"1540741","6.163","0.002","13.541","0.005","12.998","0.005","90","","101.222","0.006","90","","1064","0.7","298","2","298","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C14 H10 N2 -","- C14 H10 N2 -","- C56 H40 N8 -","4","1","","Shu, Wen-Ming; Ma, Jun-Rui; Zheng, Kai-Lu; Wu, An-Xin","Multicomponent Coupling Cyclization Access to Cinnolines via in Situ Generated Diazene with Arynes, and α-Bromo Ketones.","Organic letters","2016","18","2","196","199","10.1021/acs.orglett.5b03236","","","0.71073","MoKα","","0.1048","0.067","","","0.195","0.2296","","","","","","1.045","","","","has coordinates","175817","2020-10-21","18:00:00",""
"1540742","8.322","0.006","21.996","0.016","11.667","0.009","90","","107.208","0.008","90","","2040","3","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H22 N2 O5 -","- C24 H22 N2 O5 -","- C96 H88 N8 O20 -","4","1","","Chen, Xun; Hu, Xinwei; Bai, Siyi; Deng, Yuanfu; Jiang, Huanfeng; Zeng, Wei","Rh(III)-Catalyzed [4 + 2] Annulation of Indoles with Diazo Compounds: Access to Pyrimido[1,6-a]indole-1(2H)-ones.","Organic letters","2016","18","2","192","195","10.1021/acs.orglett.5b03231","","","0.71073","MoKα","","0.0613","0.0452","","","0.123","0.1372","","","","","","1.05","","","","has coordinates","175818","2020-10-21","18:00:00",""
"1540743","9.3895","0.0005","11.8119","0.0006","16.7592","0.0008","90","","119.122","0.003","90","","1623.76","0.15","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H20 N O5 P -","- C15 H20 N O5 P -","- C60 H80 N4 O20 P4 -","4","1","","Phatake, Ravindra S.; Patel, Pitambar; Ramana, Chepuri V.","Ir(III)-Catalyzed Synthesis of Isoquinoline N-Oxides from Aryloxime and α-Diazocarbonyl Compounds.","Organic letters","2016","18","2","292","295","10.1021/acs.orglett.5b03462","","","0.71073","MoKα","","0.0829","0.0789","","","0.1551","0.1573","","","","","","1.178","","","","has coordinates","175820","2020-10-21","18:00:00",""
"1540744","13.0925","0.00009","11.3675","0.00008","17.0939","0.00012","90","","90.408","0.001","90","","2544","0.03","296","2","296","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C44 H46 Ag2 F12 Ir2 N2 O10 -","- C44 H46 Ag2 F12 Ir2 N2 O10 -","- C88 H92 Ag4 F24 Ir4 N4 O20 -","2","0.5","","Phatake, Ravindra S.; Patel, Pitambar; Ramana, Chepuri V.","Ir(III)-Catalyzed Synthesis of Isoquinoline N-Oxides from Aryloxime and α-Diazocarbonyl Compounds.","Organic letters","2016","18","2","292","295","10.1021/acs.orglett.5b03462","","","1.54178","CuKα","","0.0462","0.0419","","","0.1099","0.1139","","","","","","1.07","","","","has coordinates","175820","2020-10-21","18:00:00",""
"1540745","7.016","0.004","11.027","0.004","11.187","0.004","107.843","0.004","94.401","0.007","92.67","0.02","819.2","0.6","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C15 H20 N O7 P -","- C15 H20 N O7 P -","- C30 H40 N2 O14 P2 -","2","1","","Phatake, Ravindra S.; Patel, Pitambar; Ramana, Chepuri V.","Ir(III)-Catalyzed Synthesis of Isoquinoline N-Oxides from Aryloxime and α-Diazocarbonyl Compounds.","Organic letters","2016","18","2","292","295","10.1021/acs.orglett.5b03462","","","0.71073","MoKα","","0.0663","0.0507","","","0.107","0.1142","","","","","","1.058","","","","has coordinates","175820","2020-10-21","18:00:00",""
"1540746","14.3558","0.0014","4.7227","0.0004","24.973","0.002","90","","105.882","0.004","90","","1628.5","0.2","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","Methyl 2-(2-(4-fluorobenzoyl)-5-(4-fluorophenyl)-1H-imidazol-1-yl)acetate","Methyl 2-(2-(4-fluorobenzoyl)-5-(4-fluorophenyl)-1H-imidazol-1-yl)acetate","","- C19 H14 F2 N2 O3 -","- C19 H14 F2 N2 O3 -","- C76 H56 F8 N8 O12 -","4","1","","Padala, Anil K.; Kumar, Raju Ranjith; Athimoolam, S.; Ahmed, Qazi Naveed","Divergent Reactivity of Amino Acid Alkyl Ester Hydrochlorides with 2-Oxoaldehydes: Role of Selenium Dioxide To Promote Regioselective Synthesis of Imidazoles.","Organic letters","2016","18","1","96","99","10.1021/acs.orglett.5b03321","","","0.71073","MoKα","","0.1071","0.0423","","","0.0985","0.1266","","","","","","1.006","","","","has coordinates","175825","2020-10-21","18:00:00",""
"1540747","15.0884","0.0011","31.4527","0.0015","18.2241","0.0014","90","","104.352","0.007","90","","8378.7","1","100","0.3","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C75.66 H95.66 B2 Cl10.97 F8 N8 Ni2 -","- C75.657 H95.657 B2 Cl10.971 F8 N8 Ni2 -","- C302.628 H382.628 B8 Cl43.884 F32 N32 Ni8 -","4","1","","Wicht, Richard; Bahnmüller, Stefanie; Brandhorst, Kai; Schweyen, Peter; Bröring, Martin","Cationic nickel porphyrinoids with unexpected reactivity","Chem. Sci.","2016","7","1","583","","10.1039/C5SC03663A","","","1.54184","CuKα","","0.0946","0.066","","","0.165","0.1844","","","","","","1.028","","","","has coordinates,has disorder","171863","2020-10-21","18:00:00",""
"1540748","9.666","0.0004","17.7362","0.0008","17.9259","0.0007","90","","104.302","0.002","90","","2977.9","0.2","100.08","","100.08","","","","","","","","","6","P 1 n 1","P -2yac","7","[(18-crown-6)K]2[Fe(C3S5)2]","","","- C42 H72 Fe K2 O15 S10 -","- C42 H72 Fe K2 O15 S10 -","- C84 H144 Fe2 K4 O30 S20 -","2","1","","Zadrozny, Joseph M.; Greer, Samuel M.; Hill, Stephen; Freedman, Danna E.","A flexible iron(ii) complex in which zero-field splitting is resistant to structural variation","Chem. Sci.","2016","7","1","416","","10.1039/C5SC02477C","","","0.71073","MoKα","","0.0425","0.0329","","","0.0852","0.1227","","","","","","1.158","","","","has coordinates,has disorder","171864","2020-10-21","18:00:00",""
"1540749","9.5532","0.0003","16.9392","0.0006","19.2199","0.0007","64.7735","0.0007","78.6184","0.0008","78.0782","0.0008","2731.85","0.16","100","","100","","","","","","","","","6","P -1","-P 1","2","(Ph4P)2[Fe(dmit)2](MeCN)","","","- C56 H43 Fe N P2 S10 -","- C56 H43 Fe N P2 S10 -","- C112 H86 Fe2 N2 P4 S20 -","2","1","","Zadrozny, Joseph M.; Greer, Samuel M.; Hill, Stephen; Freedman, Danna E.","A flexible iron(ii) complex in which zero-field splitting is resistant to structural variation","Chem. Sci.","2016","7","1","416","","10.1039/C5SC02477C","","","0.71073","MoKα","","0.033","0.0252","","","0.0574","0.0611","","","","","","1.033","","","","has coordinates,has disorder","171864","2020-10-21","18:00:00",""
"1540750","8.573","0.0005","32.0602","0.0017","17.6411","0.0009","90","","98.509","0.003","90","","4795.3","0.5","100","2","100.03","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","(Bu4N)2[Fe(C3S5)2]","","","- C38 H72 Fe N2 S10 -","- C38 H72 Fe N2 S10 -","- C152 H288 Fe4 N8 S40 -","4","1","","Zadrozny, Joseph M.; Greer, Samuel M.; Hill, Stephen; Freedman, Danna E.","A flexible iron(ii) complex in which zero-field splitting is resistant to structural variation","Chem. Sci.","2016","7","1","416","","10.1039/C5SC02477C","","","0.71073","MoKα","","0.0451","0.0334","","","0.0772","0.0841","","","","","","1.094","","","","has coordinates","171864","2020-10-21","18:00:00",""
"1541883","7.2942","0.0011","12.3961","0.0018","13.909","0.002","90","","90","","90","","1257.6","0.3","173","2","173","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C14 H22 O4 -","- C14 H22 O4 -","- C56 H88 O16 -","4","1","","Guo, Jing; Liu, Yangbin; Li, Xiangqiang; Liu, Xiaohua; Lin, Lili; Feng, Xiaoming","Nickel(ii)-catalyzed enantioselective cyclopropanation of 3-alkenyl-oxindoles with phenyliodonium ylide via free carbene","Chem. Sci.","2016","7","4","2717","","10.1039/C5SC03658E","","","0.71073","MoKα","","0.0328","0.0308","","","0.0738","0.0751","","","","","","1.024","","","","has coordinates","181578","2020-10-21","18:00:00",""
"1541884","10.52245","0.00015","10.52245","0.00015","48.9522","0.0016","90","","90","","90","","5420.1","0.2","293","","293","","","","","","","","","5","P 43 21 2","P 4nw 2abw","96","","","","- C24 H28 I N O9 -","- C24 H28 I N O9 -","- C192 H224 I8 N8 O72 -","8","1","","Guo, Jing; Liu, Yangbin; Li, Xiangqiang; Liu, Xiaohua; Lin, Lili; Feng, Xiaoming","Nickel(ii)-catalyzed enantioselective cyclopropanation of 3-alkenyl-oxindoles with phenyliodonium ylide via free carbene","Chem. Sci.","2016","7","4","2717","","10.1039/C5SC03658E","","x-ray","1.54184","CuKα","","0.0679","0.0614","","","0.1629","0.1685","","","","","","1.037","","","","has coordinates","181578","2020-10-21","18:00:00",""
"1541885","9.3038","0.0005","14.9607","0.0008","16.6489","0.0009","90","","91.195","0.002","90","","2316.9","0.2","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C23 H35 Au N O P -","- C23 H35 Au N O P -","- C92 H140 Au4 N4 O4 P4 -","4","1","","Liu, Liu; Ruiz, David A.; Dahcheh, Fatme; Bertrand, Guy; Suter, Riccardo; Tondreau, Aaron M.; Grützmacher, Hansjörg","Isolation of Au-, Co-η1PCO and Cu-η2PCO complexes, conversion of an Ir‒η1PCO complex into a dimetalladiphosphene, and an interaction-free PCO anion","Chem. Sci.","2016","7","3","2335","","10.1039/C5SC04504E","","","0.71073","MoKα","","0.0281","0.0203","","","0.04","0.0426","","","","","","1.023","","","","has coordinates","194547","2020-10-21","18:00:00",""
"1541886","10.7215","0.0007","13.536","0.0007","19.0499","0.0012","90","","90","","90","","2764.6","0.3","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C28 H43 Au N O P -","- C28 H43 Au N O P -","- C112 H172 Au4 N4 O4 P4 -","4","1","","Liu, Liu; Ruiz, David A.; Dahcheh, Fatme; Bertrand, Guy; Suter, Riccardo; Tondreau, Aaron M.; Grützmacher, Hansjörg","Isolation of Au-, Co-η1PCO and Cu-η2PCO complexes, conversion of an Ir‒η1PCO complex into a dimetalladiphosphene, and an interaction-free PCO anion","Chem. Sci.","2016","7","3","2335","","10.1039/C5SC04504E","","","0.71073","MoKα","","0.0378","0.0358","","","0.0658","0.0666","","","","","","1.321","","","","has coordinates","177722","2020-10-21","18:00:00",""
"1541887","9.1985","0.0007","15.0111","0.0011","16.6696","0.0013","90","","90.736","0.003","90","","2301.5","0.3","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C23 H35 Cu N O P -","- C23 H35 Cu N O P -","- C92 H140 Cu4 N4 O4 P4 -","4","1","","Liu, Liu; Ruiz, David A.; Dahcheh, Fatme; Bertrand, Guy; Suter, Riccardo; Tondreau, Aaron M.; Grützmacher, Hansjörg","Isolation of Au-, Co-η1PCO and Cu-η2PCO complexes, conversion of an Ir‒η1PCO complex into a dimetalladiphosphene, and an interaction-free PCO anion","Chem. Sci.","2016","7","3","2335","","10.1039/C5SC04504E","","","1.54178","CuKα","","0.0261","0.0255","","","0.0684","0.0689","","","","","","1.05","","","","has coordinates","177722","2020-10-21","18:00:00",""
"1541888","23.2392","0.0006","23.2392","0.0006","27.9791","0.001","90","","90","","120","","13086","0.7","100","2","100","2","","","","","","","","5","R 3 2 :H","R 3 2""","155","","","","- C81 H129 Au3 N3 P -","- C81 H129 Au3 N3 P -","- C486 H774 Au18 N18 P6 -","6","0.333333","","Liu, Liu; Ruiz, David A.; Dahcheh, Fatme; Bertrand, Guy; Suter, Riccardo; Tondreau, Aaron M.; Grützmacher, Hansjörg","Isolation of Au-, Co-η1PCO and Cu-η2PCO complexes, conversion of an Ir‒η1PCO complex into a dimetalladiphosphene, and an interaction-free PCO anion","Chem. Sci.","2016","7","3","2335","","10.1039/C5SC04504E","","","0.71073","MoKα","","0.0477","0.0384","","","0.0868","0.0899","","","","","","1.027","","","","has coordinates","215051","2020-10-21","18:00:00",""
"1541889","12.6627","0.0014","16.2794","0.0015","23.264","0.003","90","","98.409","0.003","90","","4744.1","0.9","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C49 H79 Cu N5 O P -","- C49 H79 Cu N5 O P -","- C196 H316 Cu4 N20 O4 P4 -","4","1","","Liu, Liu; Ruiz, David A.; Dahcheh, Fatme; Bertrand, Guy; Suter, Riccardo; Tondreau, Aaron M.; Grützmacher, Hansjörg","Isolation of Au-, Co-η1PCO and Cu-η2PCO complexes, conversion of an Ir‒η1PCO complex into a dimetalladiphosphene, and an interaction-free PCO anion","Chem. Sci.","2016","7","3","2335","","10.1039/C5SC04504E","","","0.71073","MoKα","","0.1331","0.0632","","","0.1133","0.1379","","","","","","1.029","","","","has coordinates","194547","2020-10-21","18:00:00",""
"1541890","9.4619","0.0004","13.4134","0.0006","16.9001","0.0008","90","","101.411","0.002","90","","2102.5","0.16","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C46 H70 Cu N2 O2 P -","- C46 H70 Cu N2 O2 P -","- C92 H140 Cu2 N4 O4 P2 -","2","0.5","","Liu, Liu; Ruiz, David A.; Dahcheh, Fatme; Bertrand, Guy; Suter, Riccardo; Tondreau, Aaron M.; Grützmacher, Hansjörg","Isolation of Au-, Co-η1PCO and Cu-η2PCO complexes, conversion of an Ir‒η1PCO complex into a dimetalladiphosphene, and an interaction-free PCO anion","Chem. Sci.","2016","7","3","2335","","10.1039/C5SC04504E","","","0.71073","MoKα","","0.1097","0.0893","","","0.2022","0.2121","","","","","","1.249","","","","has coordinates","177722","2020-10-21","18:00:00",""
"1541891","14.7478","0.0002","14.7478","0.0002","40.2121","0.001","90","","90","","90","","8746","0.3","100","2","100","2","","","","","","","","8","P 43 21 2","P 4nw 2abw","96","","","","- C46 H43 Au B F15 N O P -","- C46 H43 Au B F15 N O P -","- C368 H344 Au8 B8 F120 N8 O8 P8 -","8","1","","Liu, Liu; Ruiz, David A.; Dahcheh, Fatme; Bertrand, Guy; Suter, Riccardo; Tondreau, Aaron M.; Grützmacher, Hansjörg","Isolation of Au-, Co-η1PCO and Cu-η2PCO complexes, conversion of an Ir‒η1PCO complex into a dimetalladiphosphene, and an interaction-free PCO anion","Chem. Sci.","2016","7","3","2335","","10.1039/C5SC04504E","","","0.71073","MoKα","","0.0593","0.0437","","","0.0894","0.0952","","","","","","1.131","","","","has coordinates","177722","2020-10-21","18:00:00",""
"1541892","26.7657","0.0013","16.5433","0.0013","21.479","0.0013","90","","107.104","0.003","90","","9090.1","1","100","2","100","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C96 H86 B2 Cu2 F30 N2 O2 P2 -","- C96 H86 B2 Cu2 F30 N2 O2 P2 -","- C384 H344 B8 Cu8 F120 N8 O8 P8 -","4","0.5","","Liu, Liu; Ruiz, David A.; Dahcheh, Fatme; Bertrand, Guy; Suter, Riccardo; Tondreau, Aaron M.; Grützmacher, Hansjörg","Isolation of Au-, Co-η1PCO and Cu-η2PCO complexes, conversion of an Ir‒η1PCO complex into a dimetalladiphosphene, and an interaction-free PCO anion","Chem. Sci.","2016","7","3","2335","","10.1039/C5SC04504E","","","0.71073","MoKα","","0.0527","0.0347","","","0.0868","0.1059","","","","","","1.098","","","","has coordinates","215051","2020-10-21","18:00:00",""
"1541893","10.1044","0.0005","14.1614","0.0007","15.802","0.0007","111.476","0.004","93.948","0.004","104.766","0.004","2001.36","0.19","105","2","105","2","","","","","","","","6","P -1","-P 1","2","","iPr(PDI)Co(PCO)","","- C42 H59 Co N3 O3 P -","- C42 H59 Co N3 O3 P -","- C84 H118 Co2 N6 O6 P2 -","2","1","","Liu, Liu; Ruiz, David A.; Dahcheh, Fatme; Bertrand, Guy; Suter, Riccardo; Tondreau, Aaron M.; Grützmacher, Hansjörg","Isolation of Au-, Co-η1PCO and Cu-η2PCO complexes, conversion of an Ir‒η1PCO complex into a dimetalladiphosphene, and an interaction-free PCO anion","Chem. Sci.","2016","7","3","2335","","10.1039/C5SC04504E","","x-ray","0.71073","MoKα","","0.0852","0.0712","","","0.1356","0.1417","","","","","","1.158","","","","has coordinates,has disorder","177722","2020-10-21","18:00:00",""
"1541894","13.7808","0.0013","12.3485","0.0016","16.5685","0.0019","90","","96.53","0.004","90","","2801.2","0.6","100","2","100","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","[(MePDI)IrCO]2(μ-P2)","[(MePDI)IrCO]2(μ-P2)","","- C30 H35 Ir N3 O2 P -","- C30 H35 Ir N3 O2 P -","- C120 H140 Ir4 N12 O8 P4 -","4","1","","Liu, Liu; Ruiz, David A.; Dahcheh, Fatme; Bertrand, Guy; Suter, Riccardo; Tondreau, Aaron M.; Grützmacher, Hansjörg","Isolation of Au-, Co-η1PCO and Cu-η2PCO complexes, conversion of an Ir‒η1PCO complex into a dimetalladiphosphene, and an interaction-free PCO anion","Chem. Sci.","2016","7","3","2335","","10.1039/C5SC04504E","","","0.71073","MoKα","","0.0511","0.0321","","","0.0459","0.0471","","","","","","1.937","","","","has coordinates","177722","2020-10-21","18:00:00",""
"1541895","15.783","0.003","12.467","0.002","12.928","0.002","90","","102.277","0.003","90","","2485.6","0.7","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C15 H16 N2 -","- C15 H16 N2 -","- C120 H128 N16 -","8","2","","Xiu, Jianmin; Yi, Wenbin","Radical-based regioselective cross-coupling of indoles and cycloalkanes","Catal. Sci. Technol.","2016","6","4","998","","10.1039/C5CY01907A","","","0.71073","MoKα","","0.0663","0.043","","","0.1028","0.1153","","","","","","1.042","","","","has coordinates","177624","2020-10-21","18:00:00",""
"1541896","14.1613","0.0012","21.6112","0.0018","15.3855","0.0013","90","","114.339","0.0011","90","","4290.1","0.6","250","2","250","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C40.05 H38.1 Cl2 Fe N10 O11.35 -","- C40.05 H38.1 Cl2 Fe N10 O11.35 -","- C160.2 H152.4 Cl8 Fe4 N40 O45.4 -","4","1","","Aromí, G.; Beavers, C. M.; Sánchez Costa, J.; Craig, G. A.; Mínguez Espallargas, G.; Orera, A.; Roubeau, O.","Snapshots of a solid-state transformation: coexistence of three phases trapped in one crystal","Chem. Sci.","2016","7","4","2907","","10.1039/C5SC04287A","","","0.7749","synchrotron","","0.0902","0.0767","","","0.2215","0.2351","","","","","","1.05","","","","has coordinates,has disorder","181581","2020-10-21","18:00:00",""
"1541897","15.717","0.003","20.127","0.003","24.672","0.004","90","","90.353","0.01","90","","7804","2","250","2","250","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C36 H30 Cl2 Fe N10 O10 -","- C36 H30 Cl2 Fe N10 O10 -","- C288 H240 Cl16 Fe8 N80 O80 -","8","2","","Aromí, G.; Beavers, C. M.; Sánchez Costa, J.; Craig, G. A.; Mínguez Espallargas, G.; Orera, A.; Roubeau, O.","Snapshots of a solid-state transformation: coexistence of three phases trapped in one crystal","Chem. Sci.","2016","7","4","2907","","10.1039/C5SC04287A","","","0.7749","synchrotron","","0.1998","0.1521","","","0.3468","0.3892","","","","","","1.136","","","","has coordinates","181581","2020-10-21","18:00:00",""
"1541898","14.165","0.005","21.596","0.008","15.414","0.006","90","","114.29","0.004","90","","4298","3","250","2","250","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C39.75 H37.5 Cl2 Fe N10 O11.25 -","- C39.75 H37.5 Cl2 Fe N10 O11.25 -","- C159 H150 Cl8 Fe4 N40 O45 -","4","1","","Aromí, G.; Beavers, C. M.; Sánchez Costa, J.; Craig, G. A.; Mínguez Espallargas, G.; Orera, A.; Roubeau, O.","Snapshots of a solid-state transformation: coexistence of three phases trapped in one crystal","Chem. Sci.","2016","7","4","2907","","10.1039/C5SC04287A","","","0.7749","synchrotron","","0.107","0.0771","","","0.2095","0.2322","","","","","","1.229","","","","has coordinates,has disorder","181581","2020-10-21","18:00:00",""
"1541899","15.679","0.012","20.102","0.015","24.601","0.018","90","","90.221","0.008","90","","7754","10","250","2","250","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C36 H30 Cl2 Fe N10 O10 -","- C36 H30 Cl2 Fe N10 O10 -","- C288 H240 Cl16 Fe8 N80 O80 -","8","2","","Aromí, G.; Beavers, C. M.; Sánchez Costa, J.; Craig, G. A.; Mínguez Espallargas, G.; Orera, A.; Roubeau, O.","Snapshots of a solid-state transformation: coexistence of three phases trapped in one crystal","Chem. Sci.","2016","7","4","2907","","10.1039/C5SC04287A","","","0.7749","synchrotron","","0.1349","0.0696","","","0.1604","0.2093","","","","","","1.09","","","","has coordinates","181581","2020-10-21","18:00:00",""
"1541900","13.073","0.003","13.356","0.003","14.075","0.003","71.88","0.03","69.89","0.03","70.65","0.03","2122.8","1","250","2","250","2","","","","","","","","6","P -1","-P 1","2","","","","- C39 H36 Cl2 Fe N10 O11 -","- C39 H36 Cl2 Fe N10 O11 -","- C78 H72 Cl4 Fe2 N20 O22 -","2","1","","Aromí, G.; Beavers, C. M.; Sánchez Costa, J.; Craig, G. A.; Mínguez Espallargas, G.; Orera, A.; Roubeau, O.","Snapshots of a solid-state transformation: coexistence of three phases trapped in one crystal","Chem. Sci.","2016","7","4","2907","","10.1039/C5SC04287A","","","0.7749","synchrotron","","0.1147","0.0685","","","0.1821","0.2212","","","","","","1.045","","","","has coordinates,has disorder","181581","2020-10-21","18:00:00",""
"1541901","15.7","0.003","20.035","0.004","24.638","0.005","90","","90.45","0.03","90","","7750","3","250","2","250","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C36 H30 Cl2 Fe N10 O10 -","- C36 H30 Cl2 Fe N10 O10 -","- C288 H240 Cl16 Fe8 N80 O80 -","8","2","","Aromí, G.; Beavers, C. M.; Sánchez Costa, J.; Craig, G. A.; Mínguez Espallargas, G.; Orera, A.; Roubeau, O.","Snapshots of a solid-state transformation: coexistence of three phases trapped in one crystal","Chem. Sci.","2016","7","4","2907","","10.1039/C5SC04287A","","","0.7749","synchrotron","","0.1344","0.0809","","","0.1908","0.2456","","","","","","1.065","","","","has coordinates,has disorder","217275","2020-10-21","18:00:00",""
"1541902","13.0297","0.0008","13.2995","0.0009","14.0177","0.0009","71.801","0.005","69.822","0.004","70.752","0.004","2097.8","0.2","250","2","250","2","","","","","","","","6","P -1","-P 1","2","","","","- C39 H36 Cl2 Fe N10 O11 -","- C39 H36 Cl2 Fe N10 O11 -","- C78 H72 Cl4 Fe2 N20 O22 -","2","1","","Aromí, G.; Beavers, C. M.; Sánchez Costa, J.; Craig, G. A.; Mínguez Espallargas, G.; Orera, A.; Roubeau, O.","Snapshots of a solid-state transformation: coexistence of three phases trapped in one crystal","Chem. Sci.","2016","7","4","2907","","10.1039/C5SC04287A","","","0.7749","synchrotron","","0.1228","0.1052","","","0.2974","0.3116","","","","","","1.174","","","","has coordinates,has disorder","181581","2020-10-21","18:00:00",""
"1541903","12.906","0.009","13.199","0.009","14.759","0.01","71.402","0.008","68.242","0.008","67.214","0.008","2107","3","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C39 H36 Cl2 Fe N10 O11 -","- C39 H36 Cl2 Fe N10 O11 -","- C78 H72 Cl4 Fe2 N20 O22 -","2","1","","Aromí, G.; Beavers, C. M.; Sánchez Costa, J.; Craig, G. A.; Mínguez Espallargas, G.; Orera, A.; Roubeau, O.","Snapshots of a solid-state transformation: coexistence of three phases trapped in one crystal","Chem. Sci.","2016","7","4","2907","","10.1039/C5SC04287A","","","0.7749","synchrotron","","0.1252","0.0819","","","0.2314","0.2632","","","","","","1.033","","","","has coordinates","181581","2020-10-21","18:00:00",""
"1541904","13.085","0.006","13.381","0.006","14.139","0.007","72.092","0.006","69.882","0.007","70.219","0.006","2135.6","1.7","260","2","260","2","","","","","","","","6","P -1","-P 1","2","","","","- C39 H36 Cl2 Fe N10 O11 -","- C39 H36 Cl2 Fe N10 O11 -","- C78 H72 Cl4 Fe2 N20 O22 -","2","1","","Aromí, G.; Beavers, C. M.; Sánchez Costa, J.; Craig, G. A.; Mínguez Espallargas, G.; Orera, A.; Roubeau, O.","Snapshots of a solid-state transformation: coexistence of three phases trapped in one crystal","Chem. Sci.","2016","7","4","2907","","10.1039/C5SC04287A","","","0.7749","synchrotron","","0.1404","0.0911","","","0.2534","0.2849","","","","","","1.077","","","","has coordinates,has disorder","181581","2020-10-21","18:00:00",""
"1541905","10.2264","0.0003","15.4589","0.0004","17.0819","0.0004","73.0848","0.0012","88.2081","0.0014","86.3652","0.0014","2578.2","0.12","90","2","90","2","","","","","","","","6","P -1","-P 1","2","","","","- C59 H60 Al F6 N3 O2 -","- C59 H60 Al F6 N3 O2 -","- C118 H120 Al2 F12 N6 O4 -","2","1","","Loewen, Natalia D.; Thompson, Emily J.; Kagan, Michael; Banales, Carolina L.; Myers, Thomas W.; Fettinger, James C.; Berben, Louise A.","A pendant proton shuttle on [Fe4N(CO)12]−alters product selectivity in formate vs. H2production via the hydride [H‒Fe4N(CO)12]−","Chem. Sci.","2016","7","4","2728","","10.1039/C5SC03169A","","","1.54178","CuKα","","0.0505","0.047","","","0.1258","0.1293","","","","","","1.02","","","","has coordinates","181583","2020-10-21","18:00:00",""
"1541906","11.2001","0.0002","12.4244","0.0002","18.0337","0.0003","101.41","0.0007","98.4568","0.0006","114.494","0.0007","2163.42","0.07","90","2","90","2","","","","","","","","6","P -1","-P 1","2","","","","- C51 H55 Al F3 N3 O -","- C51 H55 Al F3 N3 O -","- C102 H110 Al2 F6 N6 O2 -","2","1","","Loewen, Natalia D.; Thompson, Emily J.; Kagan, Michael; Banales, Carolina L.; Myers, Thomas W.; Fettinger, James C.; Berben, Louise A.","A pendant proton shuttle on [Fe4N(CO)12]−alters product selectivity in formate vs. H2production via the hydride [H‒Fe4N(CO)12]−","Chem. Sci.","2016","7","4","2728","","10.1039/C5SC03169A","","","1.54178","CuKα","","0.047","0.0404","","","0.1088","0.1136","","","","","","1.05","","","","has coordinates","181583","2020-10-21","18:00:00",""
"1541907","5.385","0.008","9.274","0.013","25.69","0.04","92.65","0.02","95.509","0.019","93.348","0.02","1273","3","296","2","296","2","","","","","","","","5","P 1","P 1","1","","","","- C55 H82 N2 O8 S -","- C55 H82 N2 O8 S -","- C55 H82 N2 O8 S -","1","1","","Nuthanakanti, Ashok; Srivatsan, Seergazhi G.","Hierarchical self-assembly of switchable nucleolipid supramolecular gels based on environmentally-sensitive fluorescent nucleoside analogs.","Nanoscale","2016","8","6","3607","3619","10.1039/c5nr07490h","","","0.71073","MoKα","","0.2437","0.1082","","","0.2511","0.3229","","","","","","1.001","","","","has coordinates,has disorder","177883","2020-10-21","18:00:00",""
"1541908","5.4174","0.0005","9.3296","0.0009","24.033","0.002","95.858","0.002","92.994","0.002","93.33","0.002","1204.23","0.19","296","2","296","2","","","","","","","","5","P 1","P 1","1","","","","- C51 H74 N2 O8 S -","- C51 H74 N2 O8 S -","- C51 H74 N2 O8 S -","1","1","","Nuthanakanti, Ashok; Srivatsan, Seergazhi G.","Hierarchical self-assembly of switchable nucleolipid supramolecular gels based on environmentally-sensitive fluorescent nucleoside analogs.","Nanoscale","2016","8","6","3607","3619","10.1039/c5nr07490h","","","0.71073","MoKα","","0.0918","0.0676","","","0.1557","0.17","","","","","","1.054","","","","has coordinates","214153","2020-10-21","18:00:00",""
"1541909","8.671","0.007","11.183","0.009","27.36","0.02","94.389","0.014","97.977","0.016","109.553","0.014","2454","3","100","2","100","2","","","","","","","","4","P 1","P 1","1","","","","- C50.5 H79.5 N2.5 O9.5 -","- C50.5 H79.5 N2.5 O9.5 -","- C101 H159 N5 O19 -","2","2","","Nuthanakanti, Ashok; Srivatsan, Seergazhi G.","Hierarchical self-assembly of switchable nucleolipid supramolecular gels based on environmentally-sensitive fluorescent nucleoside analogs.","Nanoscale","2016","8","6","3607","3619","10.1039/c5nr07490h","","","0.71073","MoKα","","0.2949","0.0725","","","0.1467","0.2409","","","","","","0.643","","","","has coordinates","177883","2020-10-21","18:00:00",""
"1541910","8.615","0.003","11.124","0.004","25.315","0.009","101.343","0.007","91.424","0.007","109.601","0.006","2229.9","1.4","100","2","100","2","","","","","","","","4","P 1","P 1","1","","","","- C46.5 H71.5 N2.5 O9.5 -","- C46.5 H71.5 N2.5 O9.5 -","- C93 H143 N5 O19 -","2","2","","Nuthanakanti, Ashok; Srivatsan, Seergazhi G.","Hierarchical self-assembly of switchable nucleolipid supramolecular gels based on environmentally-sensitive fluorescent nucleoside analogs.","Nanoscale","2016","8","6","3607","3619","10.1039/c5nr07490h","","","0.71073","MoKα","","0.1361","0.0652","","","0.1124","0.1372","","","","","","0.958","","","","has coordinates","177883","2020-10-21","18:00:00",""
"1541912","7.852","0.003","8.191","0.003","15.597","0.007","92.81","0.03","103.81","0.03","116.1","0.02","861","0.6","170","2","170","2","","","","","","","","4","P -1","-P 1","2","JSP-20151214","","","- C20 H18 N2 O4 -","- C20 H18 N2 O4 -","- C40 H36 N4 O8 -","2","1","","Jeong, Taejoo; Han, Sang Hoon; Han, Sangil; Sharma, Satyasheel; Park, Jihye; Lee, Jong Suk; Kwak, Jong Hwan; Jung, Young Hoon; Kim, In Su","Access to 3-Acyl-(2H)-indazoles via Rh(III)-Catalyzed C-H Addition and Cyclization of Azobenzenes with α-Keto Aldehydes.","Organic letters","2016","18","2","232","235","10.1021/acs.orglett.5b03368","","","0.71073","","","0.1269","0.0761","","","0.1972","0.2268","","","","","","0.983","","","","has coordinates","175819","2020-10-21","18:00:00",""
"1541913","16.204","0.003","10.0147","0.0017","11.186","0.002","90","","90","","90","","1815.2","0.6","193","2","193","2","","","","","","","Schomaker Lab No. NCG2072","6","P c a 21","P 2c -2ac","29","","1-((4S,5R)-5-((tert-butyldimethylsilyl)oxy)-4-ethynyl-2,2-dioxido- 1,2,3-oxathiazepan-4-yl)ethanone","","- C14 H25 N O5 S Si -","- C14 H25 N O5 S Si -","- C56 H100 N4 O20 S4 Si4 -","4","1","","Gerstner, Nels C.; Adams, Christopher S.; Grigg, R. David; Tretbar, Maik; Rigoli, Jared W.; Schomaker, Jennifer M.","Diastereoselective Synthesis of the Aminocyclitol Core of Jogyamycin via an Allene Aziridination Strategy.","Organic letters","2016","18","2","284","287","10.1021/acs.orglett.5b03453","","x-ray","1.54184","CuKα","K-L~3~","0.0333","0.033","","","0.0919","0.0921","","","","","","1.125","","","","has coordinates","175821","2020-10-21","18:00:00",""
"1541914","7.4335","0.0015","12.118","0.002","14.438","0.003","90","","90","","90","","1300.6","0.4","100","2","100","2","","","","","","","Schomaker Lab No. CSA8084","5","P 21 21 21","P 2ac 2ab","19","","'4-ethyl-5-hydroxy-4-(-2-hydroxy-3-methylbut-3 -en-2-yl)-1,2,3-oxathiazepane 2,2-dioxide'","","- C11 H21 N O5 S -","- C11 H21 N O5 S -","- C44 H84 N4 O20 S4 -","4","1","","Gerstner, Nels C.; Adams, Christopher S.; Grigg, R. David; Tretbar, Maik; Rigoli, Jared W.; Schomaker, Jennifer M.","Diastereoselective Synthesis of the Aminocyclitol Core of Jogyamycin via an Allene Aziridination Strategy.","Organic letters","2016","18","2","284","287","10.1021/acs.orglett.5b03453","","x-ray","1.54178","CuKα","K-L~3~","0.0283","0.0277","","","0.0729","0.0733","","","","","","1.035","","","","has coordinates","175821","2020-10-21","18:00:00",""
"1541915","11.4437","0.0011","8.9623","0.0009","29.228","0.003","90","","94.705","0.002","90","","2987.6","0.5","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C80 H56 Co N2 O4 -","- C80 H56 Co N2 O4 -","- C160 H112 Co2 N4 O8 -","2","0.5","","Díaz-Torres, Raúl; Menelaou, Melita; Roubeau, Olivier; Sorrenti, Alessandro; Brandariz-de-Pedro, Guillem; Sañudo, E. Carolina; Teat, Simon J.; Fraxedas, Jordi; Ruiz, Eliseo; Aliaga-Alcalde, Núria","Multiscale study of mononuclear CoIISMMs based on curcuminoid ligands","Chem. Sci.","2016","7","4","2793","","10.1039/C5SC03298A","","","0.7749","synchrotron","","0.0944","0.0468","","","0.1013","0.1185","","","","","","0.987","","","","has coordinates","181580","2020-10-21","18:00:00",""
"1541916","17.249","0.003","16.9","0.003","22.44","0.004","90","","108.612","0.003","90","","6199.3","1.9","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C81 H55 Cl3 Co N2 O4 -","- C81 H55 Cl3 Co N2 O4 -","- C324 H220 Cl12 Co4 N8 O16 -","4","1","","Díaz-Torres, Raúl; Menelaou, Melita; Roubeau, Olivier; Sorrenti, Alessandro; Brandariz-de-Pedro, Guillem; Sañudo, E. Carolina; Teat, Simon J.; Fraxedas, Jordi; Ruiz, Eliseo; Aliaga-Alcalde, Núria","Multiscale study of mononuclear CoIISMMs based on curcuminoid ligands","Chem. Sci.","2016","7","4","2793","","10.1039/C5SC03298A","","","0.7749","synchrotron","","0.155","0.0744","","","0.1382","0.1627","","","","","","0.943","","","","has coordinates","181580","2020-10-21","18:00:00",""
"1541917","18.9677","0.0016","19.9186","0.0017","31.739","0.003","90","","95.287","0.004","90","","11940.3","1.8","100","2","100","2","","","","","","","","5","I 1 2 1","I 2y","5","Pyrene tetralactic acid","","","- C92 H89 N O20 Zn2 -","- C92 H89 N O20 Zn2 -","- C368 H356 N4 O80 Zn8 -","4","1","","Chandrasekhar, Pujari; Mukhopadhyay, Arindam; Savitha, Govardhan; Moorthy, Jarugu Narasimha","Remarkably selective and enantiodifferentiating sensing of histidine by a fluorescent homochiral Zn-MOF based on pyrene-tetralactic acid","Chem. Sci.","2016","7","5","3085","","10.1039/C5SC03839A","","","0.71073","MoKα","","0.2034","0.0871","","","0.2191","0.2596","","","","","","0.801","","","","has coordinates","182627","2020-10-21","18:00:00",""
"1541918","10.2155","0.0013","18.822","0.002","10.6623","0.0015","90","","110.299","0.003","90","","1922.8","0.4","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C25 H26 O2 -","- C25 H26 O2 -","- C100 H104 O8 -","4","1","","Chang, Meng-Yang; Cheng, Yu-Chieh","Synthesis of Substituted Tetralins and Benzosuberans via BF3·OEt2-Mediated Formal (4 + 2) and (5 + 2) Stereocontrolled Cycloaddition of 4-Alkenols with Veratrol.","Organic letters","2016","18","3","608","611","10.1021/acs.orglett.5b03696","","","0.71073","MoKα","","0.0583","0.0417","","","0.0934","0.1024","","","","","","1.013","","","","has coordinates","177442","2020-10-21","18:00:00",""
"1541919","23.259","0.003","5.6619","0.0004","17.6922","0.0016","90","","112.341","0.004","90","","2155","0.4","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C26 H28 O4 S -","- C26 H28 O4 S -","- C104 H112 O16 S4 -","4","1","","Chang, Meng-Yang; Cheng, Yu-Chieh","Synthesis of Substituted Tetralins and Benzosuberans via BF3·OEt2-Mediated Formal (4 + 2) and (5 + 2) Stereocontrolled Cycloaddition of 4-Alkenols with Veratrol.","Organic letters","2016","18","3","608","611","10.1021/acs.orglett.5b03696","","","0.71073","MoKα","","0.0841","0.0654","","","0.1875","0.2079","","","","","","1.255","","","","has coordinates","177442","2020-10-21","18:00:00",""
"1541920","15.2927","0.0005","18.9203","0.0005","22.9664","0.0007","90","","90.775","0.001","90","","6644.5","0.3","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C25 H31 F O3 S -","- C25 H31 F O3 S -","- C300 H372 F12 O36 S12 -","12","3","","Chang, Meng-Yang; Cheng, Yu-Chieh","Synthesis of Substituted Tetralins and Benzosuberans via BF3·OEt2-Mediated Formal (4 + 2) and (5 + 2) Stereocontrolled Cycloaddition of 4-Alkenols with Veratrol.","Organic letters","2016","18","3","608","611","10.1021/acs.orglett.5b03696","","","0.71073","MoKα","","0.0514","0.038","","","0.1018","0.1217","","","","","","1.107","","","","has coordinates","177442","2020-10-21","18:00:00",""
"1541921","11.85","0.0015","10.4794","0.0013","13.4988","0.0017","90","","91.813","0.003","90","","1675.5","0.4","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H19 N O5 S -","- C18 H19 N O5 S -","- C72 H76 N4 O20 S4 -","4","1","","Chang, Meng-Yang; Cheng, Yu-Chieh","Synthesis of Substituted Tetralins and Benzosuberans via BF3·OEt2-Mediated Formal (4 + 2) and (5 + 2) Stereocontrolled Cycloaddition of 4-Alkenols with Veratrol.","Organic letters","2016","18","3","608","611","10.1021/acs.orglett.5b03696","","","0.71073","MoKα","","0.0484","0.0352","","","0.0807","0.0877","","","","","","1.024","","","","has coordinates","177442","2020-10-21","18:00:00",""
"1541922","12.1307","0.0004","11.0079","0.0003","20.033","0.0005","90","","104.538","0.001","90","","2589.42","0.13","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C32 H32 O4 S -","- C32 H32 O4 S -","- C128 H128 O16 S4 -","4","1","","Chang, Meng-Yang; Cheng, Yu-Chieh","Synthesis of Substituted Tetralins and Benzosuberans via BF3·OEt2-Mediated Formal (4 + 2) and (5 + 2) Stereocontrolled Cycloaddition of 4-Alkenols with Veratrol.","Organic letters","2016","18","3","608","611","10.1021/acs.orglett.5b03696","","","0.71073","MoKα","","0.0487","0.0433","","","0.1107","0.114","","","","","","1.035","","","","has coordinates","177442","2020-10-21","18:00:00",""
"1541923","9.4078","0.0008","9.4698","0.0008","26.64","0.002","90","","90","","90","","2373.4","0.3","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C28 H32 O4 S -","- C28 H32 O4 S -","- C112 H128 O16 S4 -","4","1","","Chang, Meng-Yang; Cheng, Yu-Chieh","Synthesis of Substituted Tetralins and Benzosuberans via BF3·OEt2-Mediated Formal (4 + 2) and (5 + 2) Stereocontrolled Cycloaddition of 4-Alkenols with Veratrol.","Organic letters","2016","18","3","608","611","10.1021/acs.orglett.5b03696","","","0.71073","MoKα","","0.0368","0.0321","","","0.0781","0.0806","","","","","","1.033","","","","has coordinates","177442","2020-10-21","18:00:00",""
"1541924","10.8495","0.0005","9.9471","0.0005","19.6318","0.001","90","","94.688","0.001","90","","2111.6","0.18","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C25 H24 O4 S -","- C25 H24 O4 S -","- C100 H96 O16 S4 -","4","1","","Chang, Meng-Yang; Cheng, Yu-Chieh","Synthesis of Substituted Tetralins and Benzosuberans via BF3·OEt2-Mediated Formal (4 + 2) and (5 + 2) Stereocontrolled Cycloaddition of 4-Alkenols with Veratrol.","Organic letters","2016","18","3","608","611","10.1021/acs.orglett.5b03696","","","0.71073","MoKα","","0.0989","0.0596","","","0.1521","0.176","","","","","","1.053","","","","has coordinates","177442","2020-10-21","18:00:00",""
"1541925","16.05","0.0008","11.2326","0.0005","24.8893","0.0013","90","","90","","90","","4487.1","0.4","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C25 H32 O3 S -","- C25 H32 O3 S -","- C200 H256 O24 S8 -","8","1","","Chang, Meng-Yang; Cheng, Yu-Chieh","Synthesis of Substituted Tetralins and Benzosuberans via BF3·OEt2-Mediated Formal (4 + 2) and (5 + 2) Stereocontrolled Cycloaddition of 4-Alkenols with Veratrol.","Organic letters","2016","18","3","608","611","10.1021/acs.orglett.5b03696","","","0.71073","MoKα","","0.0687","0.0423","","","0.0999","0.1145","","","","","","1.011","","","","has coordinates","177442","2020-10-21","18:00:00",""
"1541926","6.019","0.0002","22.9167","0.001","13.0996","0.0006","90","","101.525","0.001","90","","1770.47","0.13","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H24 O3 S -","- C20 H24 O3 S -","- C80 H96 O12 S4 -","4","1","","Chang, Meng-Yang; Cheng, Yu-Chieh","Synthesis of Substituted Tetralins and Benzosuberans via BF3·OEt2-Mediated Formal (4 + 2) and (5 + 2) Stereocontrolled Cycloaddition of 4-Alkenols with Veratrol.","Organic letters","2016","18","3","608","611","10.1021/acs.orglett.5b03696","","","0.71073","MoKα","","0.0407","0.0353","","","0.1075","0.119","","","","","","1.184","","","","has coordinates","177442","2020-10-21","18:00:00",""
"1541927","5.6186","0.0006","8.359","0.0008","37.132","0.003","90","","90","","90","","1743.9","0.3","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C19 H19 F3 O3 S -","- C19 H19 F3 O3 S -","- C76 H76 F12 O12 S4 -","4","1","","Chang, Meng-Yang; Cheng, Yu-Chieh","Synthesis of Substituted Tetralins and Benzosuberans via BF3·OEt2-Mediated Formal (4 + 2) and (5 + 2) Stereocontrolled Cycloaddition of 4-Alkenols with Veratrol.","Organic letters","2016","18","3","608","611","10.1021/acs.orglett.5b03696","","","0.71073","MoKα","","0.0461","0.0388","","","0.0853","0.0961","","","","","","1.085","","","","has coordinates,has disorder","177442","2020-10-21","18:00:00",""
"1541928","10.3966","0.0008","11.0245","0.001","26.053","0.002","90","","91.85","0.004","90","","2984.6","0.4","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C34 H44 O5 S -","- C34 H44 O5 S -","- C136 H176 O20 S4 -","4","1","","Chang, Meng-Yang; Cheng, Yu-Chieh","Synthesis of Substituted Tetralins and Benzosuberans via BF3·OEt2-Mediated Formal (4 + 2) and (5 + 2) Stereocontrolled Cycloaddition of 4-Alkenols with Veratrol.","Organic letters","2016","18","3","608","611","10.1021/acs.orglett.5b03696","","","0.71073","MoKα","","0.0665","0.0437","","","0.1117","0.1384","","","","","","1.112","","","","has coordinates","177442","2020-10-21","18:00:00",""
"1541929","10.3721","0.0007","18.7809","0.0011","10.7938","0.0006","90","","110.397","0.002","90","","1970.8","0.2","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C25 H25 F O2 -","- C25 H25 F O2 -","- C100 H100 F4 O8 -","4","1","","Chang, Meng-Yang; Cheng, Yu-Chieh","Synthesis of Substituted Tetralins and Benzosuberans via BF3·OEt2-Mediated Formal (4 + 2) and (5 + 2) Stereocontrolled Cycloaddition of 4-Alkenols with Veratrol.","Organic letters","2016","18","3","608","611","10.1021/acs.orglett.5b03696","","","0.71073","MoKα","","0.0556","0.042","","","0.1217","0.1387","","","","","","1.115","","","","has coordinates","177442","2020-10-21","18:00:00",""
"1541930","18.2404","0.0007","22.7636","0.0007","14.3542","0.0005","90","","126.449","0.003","90","","4794.2","0.3","293","2","293","2","","","","","","","","7","C 1 2 1","C 2y","5","[Ni(ethylendiamine)3]3{V15Sb6O42(H2O)}*9H2O","'[Ni(C2H8N2)3]3{V15Sb6O42(H2O)}*9H2O'","","- C18 H92 N18 Ni3 O52 Sb6 V15 -","- C18 H72 N18 Ni3 O52 Sb6 V15 -","- C36 H144 N36 Ni6 O104 Sb12 V30 -","2","0.5","","Wendt, Michael; Warzok, Ulrike; Näther, Christian; van Leusen, Jan; Kögerler, Paul; Schalley, Christoph A.; Bensch, Wolfgang","Catalysis of “outer-phase” oxygen atom exchange reactions by encapsulated “inner-phase” water in {V15Sb6}-type polyoxovanadates","Chem. Sci.","2016","7","4","2684","","10.1039/C5SC04571A","","","0.71073","MoKα","","0.0454","0.0385","","","0.0923","0.0951","","","","","","1.024","","","","has coordinates","181582","2020-10-21","18:00:00",""
"1541931","18.2302","0.0014","22.6142","0.0016","14.4067","0.0011","90","","126.36","0.007","90","","4783","0.8","200","2","200","2","","","","","","","","7","C 1 2 1","C 2y","5","[Co(ethylendiamine)3]3{V15Sb6O42}*9H2O","'[Co(C2H8N2)3]3{V15Sb6O42}*9H2O'","","- C18 H90 Co3 N18 O51 Sb6 V15 -","- C18 H72 Co3 N18 O51 Sb6 V15 -","- C36 H144 Co6 N36 O102 Sb12 V30 -","2","0.5","","Wendt, Michael; Warzok, Ulrike; Näther, Christian; van Leusen, Jan; Kögerler, Paul; Schalley, Christoph A.; Bensch, Wolfgang","Catalysis of “outer-phase” oxygen atom exchange reactions by encapsulated “inner-phase” water in {V15Sb6}-type polyoxovanadates","Chem. Sci.","2016","7","4","2684","","10.1039/C5SC04571A","","","0.71073","MoKα","","0.0533","0.0453","","","0.1149","0.1187","","","","","","1.045","","","","has coordinates","181582","2020-10-21","18:00:00",""
"1541932","18.1991","0.0004","22.626","0.0006","14.3614","0.0003","90","","126.193","0.001","90","","4772.5","0.2","200","2","200","2","","","","","","","","7","C 1 2 1","C 2y","5","[Fe(ethylendiamine)3]3{V15Sb6O42}*9H2O","'[Fe(C2H8N2)3]3{V15Sb6O42}*9H2O'","","- C18 H90 Fe3 N18 O51 Sb6 V15 -","- C18 H72 Fe3 N18 O51 Sb6 V15 -","- C36 H144 Fe6 N36 O102 Sb12 V30 -","2","0.5","","Wendt, Michael; Warzok, Ulrike; Näther, Christian; van Leusen, Jan; Kögerler, Paul; Schalley, Christoph A.; Bensch, Wolfgang","Catalysis of “outer-phase” oxygen atom exchange reactions by encapsulated “inner-phase” water in {V15Sb6}-type polyoxovanadates","Chem. Sci.","2016","7","4","2684","","10.1039/C5SC04571A","","","0.71073","MoKα","","0.0361","0.0324","","","0.0754","0.0768","","","","","","1.058","","","","has coordinates","181582","2020-10-21","18:00:00",""
"1541933","23.7437","0.0005","23.7437","0.0005","14.9586","0.0003","90","","90","","120","","7303.3","0.3","200","2","200","2","","","","","","","","7","P 3 2 1","P 3 2""","150","[Ni(ethylendiamine)3]3{V15Sb6O42}*xH2O","'[Ni(C2H8N2)3]3{V15Sb6O42}*xH2O'","","- C18 H72 N18 Ni3 O42 Sb6 V15 -","- C18 H72 N18 Ni3 O42 Sb6 V15 -","- C54 H216 N54 Ni9 O126 Sb18 V45 -","3","0.5","","Wendt, Michael; Warzok, Ulrike; Näther, Christian; van Leusen, Jan; Kögerler, Paul; Schalley, Christoph A.; Bensch, Wolfgang","Catalysis of “outer-phase” oxygen atom exchange reactions by encapsulated “inner-phase” water in {V15Sb6}-type polyoxovanadates","Chem. Sci.","2016","7","4","2684","","10.1039/C5SC04571A","","","0.71073","MoKα","","0.0691","0.058","","","0.1369","0.1438","","","","","","0.987","","","","has coordinates","181582","2020-10-21","18:00:00",""
"1542253","31.4049","0.0006","31.4049","0.0006","31.4049","0.0006","90","","90","","90","","30973.6","1","93","","93","","","","","","","","","6","I 21 3","I 2b 2c 3","199","","","","- C90.09 H108.55 Cl24.19 N12 O6.18 Pd6 -","- C90.084 H96.168 Cl24.168 N12 O6.17 Pd6 -","- C720.672 H769.344 Cl193.344 N96 O49.36 Pd48 -","8","0.333333","","Kubota, Ryou; Tashiro, Shohei; Shionoya, Mitsuhiko","Chiral metal‒macrocycle frameworks: supramolecular chirality induction and helicity inversion of the helical macrocyclic structures","Chem. Sci.","2016","7","3","2217","","10.1039/C5SC04570C","","","0.71075","MoKα","","","0.0595","","","","0.1548","","","","","","1.089","","","","has coordinates","177718","2020-10-21","18:00:00",""
"1542254","31.495","0.0007","31.495","0.0007","31.495","0.0007","90","","90","","90","","31241","1.2","97","","97","","","","","","","","","6","I 21 3","I 2b 2c 3","199","","","","- C88.77 H103.38 Cl21.54 N12 O4.92 Pd6 -","- C88.77 H93.54 Cl21.54 N12 O4.93 Pd6 -","- C710.16 H748.32 Cl172.32 N96 O39.44 Pd48 -","8","0.333333","","Kubota, Ryou; Tashiro, Shohei; Shionoya, Mitsuhiko","Chiral metal‒macrocycle frameworks: supramolecular chirality induction and helicity inversion of the helical macrocyclic structures","Chem. Sci.","2016","7","3","2217","","10.1039/C5SC04570C","","","0.71075","MoKα","","","0.0917","","","","0.2429","","","","","","1.045","","","","has coordinates","177718","2020-10-21","18:00:00",""
"1542255","31.3834","0.001","31.3834","0.001","31.3834","0.001","90","","90","","90","","30910.1","1.7","95","","95","","","","","","","","","6","I 21 3","I 2b 2c 3","199","","","","- C88.81 H104.7 Cl21.61 N12 O5.54 Pd6 -","- C88.806 H93.612 Cl21.612 N12 O5.52 Pd6 -","- C710.448 H748.896 Cl172.896 N96 O44.16 Pd48 -","8","0.333333","","Kubota, Ryou; Tashiro, Shohei; Shionoya, Mitsuhiko","Chiral metal‒macrocycle frameworks: supramolecular chirality induction and helicity inversion of the helical macrocyclic structures","Chem. Sci.","2016","7","3","2217","","10.1039/C5SC04570C","","","0.71075","MoKα","","","0.084","","","","0.2381","","","","","","1.037","","","","has coordinates","177718","2020-10-21","18:00:00",""
"1542256","31.4527","0.0016","31.4527","0.0016","31.4527","0.0016","90","","90","","90","","31115","3","100","","100","","","","","","","","","6","I 21 3","I 2b 2c 3","199","","","","- C88.28 H102.34 Cl20.56 N12 O4.89 Pd6 -","- C88.29 H92.58 Cl20.58 N12 O4.8899 Pd6 -","- C706.32 H740.64 Cl164.64 N96 O39.1192 Pd48 -","8","0.333333","","Kubota, Ryou; Tashiro, Shohei; Shionoya, Mitsuhiko","Chiral metal‒macrocycle frameworks: supramolecular chirality induction and helicity inversion of the helical macrocyclic structures","Chem. Sci.","2016","7","3","2217","","10.1039/C5SC04570C","","","0.71075","MoKα","","","0.094","","","","0.2416","","","","","","1.03","","","","has coordinates","177718","2020-10-21","18:00:00",""
"1542257","31.493","0.003","31.493","0.003","31.493","0.003","90","","90","","90","","31235","5","93","","93","","","","","","","","","6","I 21 3","I 2b 2c 3","199","","","","- C88.82 H106.67 Cl21.63 N12 O6.52 Pd6 -","- C88.818 H93.636 Cl21.636 N12 O6.51 Pd6 -","- C710.544 H749.088 Cl173.088 N96 O52.08 Pd48 -","8","0.333333","","Kubota, Ryou; Tashiro, Shohei; Shionoya, Mitsuhiko","Chiral metal‒macrocycle frameworks: supramolecular chirality induction and helicity inversion of the helical macrocyclic structures","Chem. Sci.","2016","7","3","2217","","10.1039/C5SC04570C","","","0.71075","MoKα","","","0.0829","","","","0.2137","","","","","","1.047","","","","has coordinates","177718","2020-10-21","18:00:00",""
"1542258","31.3274","0.0006","31.3274","0.0006","31.3274","0.0006","90","","90","","90","","30744.9","1","97","","97","","","","","","","","","6","I -4 3 d","I -4bd 2c 3","220","","","","- C47.41 H49.41 Cl22.23 N6 O Pd3 -","- C47.41 H46.41 Cl22.23 N6 O Pd3 -","- C758.56 H742.56 Cl355.68 N96 O16 Pd48 -","16","0.333333","","Kubota, Ryou; Tashiro, Shohei; Shionoya, Mitsuhiko","Chiral metal‒macrocycle frameworks: supramolecular chirality induction and helicity inversion of the helical macrocyclic structures","Chem. Sci.","2016","7","3","2217","","10.1039/C5SC04570C","","","0.71075","MoKα","","","0.0629","","","","0.1823","","","","","","1.058","","","","has coordinates","177718","2020-10-21","18:00:00",""
"1542259","31.3922","0.0006","31.3922","0.0006","31.3922","0.0006","90","","90","","90","","30936.1","1","93","","93","","","","","","","","","6","I 21 3","I 2b 2c 3","199","","","","- C88.53 H106.99 Cl21.07 N12 O6.96 Pd6 -","- C88.53 H93.06 Cl21.06 N12 O6.97 Pd6 -","- C708.24 H744.48 Cl168.48 N96 O55.76 Pd48 -","8","0.333333","","Kubota, Ryou; Tashiro, Shohei; Shionoya, Mitsuhiko","Chiral metal‒macrocycle frameworks: supramolecular chirality induction and helicity inversion of the helical macrocyclic structures","Chem. Sci.","2016","7","3","2217","","10.1039/C5SC04570C","","","0.71075","MoKα","","","0.0961","","","","0.2535","","","","","","1.024","","","","has coordinates","177718","2020-10-21","18:00:00",""
"1542260","31.3469","0.0008","31.3469","0.0008","31.3469","0.0008","90","","90","","90","","30802.3","1.4","93","","93","","","","","","","","","6","I 21 3","I 2b 2c 3","199","","","","- C88.34 H103.54 Cl20.68 N12 O5.43 Pd6 -","- C88.338 H92.676 Cl20.676 N12 O5.4299 Pd6 -","- C706.704 H741.408 Cl165.408 N96 O43.4392 Pd48 -","8","0.333333","","Kubota, Ryou; Tashiro, Shohei; Shionoya, Mitsuhiko","Chiral metal‒macrocycle frameworks: supramolecular chirality induction and helicity inversion of the helical macrocyclic structures","Chem. Sci.","2016","7","3","2217","","10.1039/C5SC04570C","","","0.71075","MoKα","","","0.0799","","","","0.212","","","","","","1.073","","","","has coordinates","177718","2020-10-21","18:00:00",""
"1542261","31.4043","0.0006","31.4043","0.0006","31.4043","0.0006","90","","90","","90","","30971.9","1","93","","93","","","","","","","","","6","I 21 3","I 2b 2c 3","199","","","","- C88.49 H103.18 Cl20.98 N12 O5.1 Pd6 -","- C88.488 H92.976 Cl20.976 N12 O5.0998 Pd6 -","- C707.904 H743.808 Cl167.808 N96 O40.7984 Pd48 -","8","0.333333","","Kubota, Ryou; Tashiro, Shohei; Shionoya, Mitsuhiko","Chiral metal‒macrocycle frameworks: supramolecular chirality induction and helicity inversion of the helical macrocyclic structures","Chem. Sci.","2016","7","3","2217","","10.1039/C5SC04570C","","","0.71075","MoKα","","","0.0835","","","","0.2102","","","","","","1.016","","","","has coordinates","177718","2020-10-21","18:00:00",""
"1542262","31.4477","0.0006","31.4477","0.0006","31.4477","0.0006","90","","90","","90","","31100.4","1","93","","93","","","","","","","","","6","I 21 3","I 2b 2c 3","199","","","","- C88.52 H103.31 Cl21.04 N12 O5.14 Pd6 -","- C88.518 H93.036 Cl21.036 N12 O5.1299 Pd6 -","- C708.144 H744.288 Cl168.288 N96 O41.0392 Pd48 -","8","0.333333","","Kubota, Ryou; Tashiro, Shohei; Shionoya, Mitsuhiko","Chiral metal‒macrocycle frameworks: supramolecular chirality induction and helicity inversion of the helical macrocyclic structures","Chem. Sci.","2016","7","3","2217","","10.1039/C5SC04570C","","","0.71075","MoKα","","","0.0758","","","","0.1999","","","","","","1.07","","","","has coordinates","177718","2020-10-21","18:00:00",""
"1542263","15.9195","0.0004","13.7674","0.0003","17.3771","0.0004","90","","90","","90","","3808.54","0.15","150","0.1","150","0.1","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C24.5 H17 Cl N O S0.5 -","- C24.5 H17 Cl N O S0.5 -","- C196 H136 Cl8 N8 O8 S4 -","8","1","","Xu, Bingjia; Mu, Yingxiao; Mao, Zhu; Xie, Zongliang; Wu, Haozhong; Zhang, Yi; Jin, Chongjun; Chi, Zhenguo; Liu, Siwei; Xu, Jiarui; Wu, Yuan-Chun; Lu, Po-Yen; Lien, Alan; Bryce, Martin R.","Achieving remarkable mechanochromism and white-light emission with thermally activated delayed fluorescence through the molecular heredity principle","Chem. Sci.","2016","7","3","2201","","10.1039/C5SC04155D","","x-ray","1.54184","CuKα","","0.0606","0.0541","","","0.1459","0.1522","","","","","","1.056","","","","has coordinates","177731","2020-10-21","18:00:00",""
"1542264","8.1912","0.0003","20.1704","0.0006","18.0457","0.0006","90","","97.807","0.003","90","","2953.87","0.17","153","2","153","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C36 H24 N2 O2 S3 -","- C36 H24 N2 O2 S3 -","- C144 H96 N8 O8 S12 -","4","1","","Xu, Bingjia; Mu, Yingxiao; Mao, Zhu; Xie, Zongliang; Wu, Haozhong; Zhang, Yi; Jin, Chongjun; Chi, Zhenguo; Liu, Siwei; Xu, Jiarui; Wu, Yuan-Chun; Lu, Po-Yen; Lien, Alan; Bryce, Martin R.","Achieving remarkable mechanochromism and white-light emission with thermally activated delayed fluorescence through the molecular heredity principle","Chem. Sci.","2016","7","3","2201","","10.1039/C5SC04155D","","","1.54178","CuKα","","0.0543","0.0429","","","0.1103","0.1197","","","","","","1.017","","","","has coordinates","177731","2020-10-21","18:00:00",""
"1542265","19.365","0.004","12.947","0.003","13.257","0.003","90","","106.41","0.03","90","","3188.4","1.3","153","2","153","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C42 H28 N2 O2 S2 -","- C42 H28 N2 O2 S2 -","- C168 H112 N8 O8 S8 -","4","1","","Xu, Bingjia; Mu, Yingxiao; Mao, Zhu; Xie, Zongliang; Wu, Haozhong; Zhang, Yi; Jin, Chongjun; Chi, Zhenguo; Liu, Siwei; Xu, Jiarui; Wu, Yuan-Chun; Lu, Po-Yen; Lien, Alan; Bryce, Martin R.","Achieving remarkable mechanochromism and white-light emission with thermally activated delayed fluorescence through the molecular heredity principle","Chem. Sci.","2016","7","3","2201","","10.1039/C5SC04155D","","","0.71073","MoKα","","0.0682","0.0479","","","0.1133","0.1255","","","","","","1.052","","","","has coordinates","177731","2020-10-21","18:00:00",""
"1542266","10.1949","0.0008","8.4085","0.0007","35.446","0.003","90","","96.69","0.0011","90","","3017.9","0.4","173","2","173","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C14 H22 F12 Mg N2 O13 S4 -","- C14 H22 F12 Mg N2 O13 S4 -","- C56 H88 F48 Mg4 N8 O52 S16 -","4","1","","Terada, Shoshi; Mandai, Toshihiko; Suzuki, Soma; Tsuzuki, Seiji; Watanabe, Katsuya; Kamei, Yutaro; Ueno, Kazuhide; Dokko, Kaoru; Watanabe, Masayoshi","Thermal and Electrochemical Stability of Tetraglyme‒Magnesium Bis(trifluoromethanesulfonyl)amide Complex: Electric Field Effect of Divalent Cation on Solvate Stability","The Journal of Physical Chemistry C","2016","120","3","1353","","10.1021/acs.jpcc.5b09779","","","0.71073","MoKα","","0.0623","0.0389","","","0.0787","0.0911","","","","","","1.015","","","","has coordinates","175801","2020-10-21","18:00:00",""
"1542267","6.9902","0.0015","10.327","0.002","18.799","0.004","90","","90","","90","","1357.1","0.5","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C15 H11 N O4 S -","- C15 H11 N O4 S -","- C60 H44 N4 O16 S4 -","4","1","","Lai, Bo-Nan; Qiu, Jian-Feng; Zhang, Heng-Xia; Nie, Jing; Ma, Jun-An","Stereoselective Synthesis of Fused Aziridines via One-Pot Sequential Decarboxylative Mannich Reaction and Oxidative C-H Amination of Cyclic Imines with β-Ketoacids.","Organic letters","2016","18","3","520","523","10.1021/acs.orglett.5b03551","","","0.71073","MoKα","","0.0386","0.0342","","","0.0878","0.0914","","","","","","1.088","","","","has coordinates","177444","2020-10-21","18:00:00",""
"1542268","8.3056","0.0001","28.5217","0.0005","12.1649","0.0002","90","","90.909","0.001","90","","2881.38","0.08","140","2","140","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C29 H40 O10 -","- C29 H40 O10 -","- C116 H160 O40 -","4","2","","Yu, Jin-Hai; Liu, Qun-Fang; Sheng, Li; Wang, Guo-Cai; Li, Jia; Yue, Jian-Min","Cipacinoids A-D, Four Limonoids with Spirocyclic Skeletons from Cipadessa cinerascens.","Organic letters","2016","18","3","444","447","10.1021/acs.orglett.5b03487","","","1.54178","CuKα","","0.037","0.036","","","0.0963","0.0975","","","","","","1.014","","","","has coordinates","177447","2020-10-21","18:00:00",""
"1542269","8.7852","0.0001","14.5469","0.0002","11.599","0.0001","90","","110.9","","90","","1384.79","0.03","140","2","140","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C29 H40 O11 -","- C29 H40 O11 -","- C58 H80 O22 -","2","1","","Yu, Jin-Hai; Liu, Qun-Fang; Sheng, Li; Wang, Guo-Cai; Li, Jia; Yue, Jian-Min","Cipacinoids A-D, Four Limonoids with Spirocyclic Skeletons from Cipadessa cinerascens.","Organic letters","2016","18","3","444","447","10.1021/acs.orglett.5b03487","","","1.54178","CuKα","","0.0262","0.0261","","","0.0731","0.0732","","","","","","1.034","","","","has coordinates","177447","2020-10-21","18:00:00",""
"1542270","8.0689","0.0016","13.762","0.003","14.911","0.005","90","","115.54","0.02","90","","1494","0.7","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H15 N3 O3 -","- C16 H15 N3 O3 -","- C64 H60 N12 O12 -","4","1","","Amiri, Nayereh; Rofouei, Mohammad K.; Ghasemi, Jahan B.","Multivariate optimization, preconcentration and determination of mercury ions with (1-(p-acetyl phenyl)-3-(o-methyl benzoate)) triazene in aqueous samples using ICP-AES","Anal. Methods","2016","8","5","1111","","10.1039/C5AY03169A","","","0.71073","MoKα","","0.1986","0.0553","","","0.0773","0.1025","","","","","","0.823","","","","has coordinates","175858","2020-10-21","18:00:00",""
"1542271","11.3075","0.0007","17.5868","0.0011","20.908","0.0013","90","","90","","90","","4157.8","0.4","173","2","173.15","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C18 H34 Cr N4 -","- C18 H34 Cr N4 -","- C144 H272 Cr8 N32 -","8","1","","Beaumier, Evan P.; Billow, Brennan S.; Singh, Amrendra K.; Biros, Shannon M.; Odom, Aaron L.","A complex with nitrogen single, double, and triple bonds to the same chromium atom: synthesis, structure, and reactivity","Chem. Sci.","2016","7","4","2532","","10.1039/C5SC04608D","","","0.71073","MoKα","","0.0858","0.049","","","0.1197","0.1454","","","","","","1.044","","","","has coordinates","181586","2020-10-21","18:00:00",""
"1542272","13.565","0.0011","13.6133","0.0011","14.3228","0.0011","117.74","0.001","103.515","0.001","90.421","0.001","2255.3","0.3","173","2","173.15","","","","","","","","","6","P -1","-P 1","2","","","","- C77 H150 Cr2 K2 N12 O12 -","- C77 H150 Cr2 K2 N12 O12 -","- C77 H150 Cr2 K2 N12 O12 -","1","0.5","","Beaumier, Evan P.; Billow, Brennan S.; Singh, Amrendra K.; Biros, Shannon M.; Odom, Aaron L.","A complex with nitrogen single, double, and triple bonds to the same chromium atom: synthesis, structure, and reactivity","Chem. Sci.","2016","7","4","2532","","10.1039/C5SC04608D","","","0.71073","MoKα","","0.0771","0.0507","","","0.1309","0.1512","","","","","","1.03","","","","has coordinates,has disorder","181586","2020-10-21","18:00:00",""
"1542273","16.6334","0.0014","14.8352","0.0012","18.1191","0.0015","90","","90","","90","","4471.1","0.6","173","2","173.15","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C20 H36 Cr N4 O -","- C20 H36 Cr N4 O -","- C160 H288 Cr8 N32 O8 -","8","1","","Beaumier, Evan P.; Billow, Brennan S.; Singh, Amrendra K.; Biros, Shannon M.; Odom, Aaron L.","A complex with nitrogen single, double, and triple bonds to the same chromium atom: synthesis, structure, and reactivity","Chem. Sci.","2016","7","4","2532","","10.1039/C5SC04608D","","","0.71073","MoKα","","0.0533","0.0405","","","0.1057","0.1168","","","","","","1.042","","","","has coordinates","181586","2020-10-21","18:00:00",""
"1542274","10.3071","0.0009","27.649","0.002","18.4003","0.0016","90","","99.891","0.001","90","","5165.8","0.7","173","2","173.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C23 H42 Cr N4 O -","- C23 H42 Cr N4 O -","- C184 H336 Cr8 N32 O8 -","8","2","","Beaumier, Evan P.; Billow, Brennan S.; Singh, Amrendra K.; Biros, Shannon M.; Odom, Aaron L.","A complex with nitrogen single, double, and triple bonds to the same chromium atom: synthesis, structure, and reactivity","Chem. Sci.","2016","7","4","2532","","10.1039/C5SC04608D","","","0.71073","MoKα","","0.0591","0.0434","","","0.112","0.1238","","","","","","1.035","","","","has coordinates","214153","2020-10-21","18:00:00",""
"1542275","20.862","0.003","10.4975","0.0017","16.69","0.003","90","","90","","90","","3655.1","1","100","2","100","2","","","","","","","","4","P c c n","-P 2ab 2ac","56","","","","- C21 H22 N4 O -","- C21 H22 N4 O -","- C168 H176 N32 O8 -","8","1","","Blackham, Emma E.; Knowles, Jonathan P.; Burgess, Jonathan; Booker-Milburn, Kevin I.","Combining photochemistry and catalysis: rapid access to sp3‒ rich polyheterocycles from simple pyrroles","Chem. Sci.","2016","7","3","2302","","10.1039/C5SC04062K","","","0.71073","MoKα","","0.0867","0.0503","","","0.1068","0.1232","","","","","","1.041","","","","has coordinates","177729","2020-10-21","18:00:00",""
"1542276","7.4546","0.0004","18.7124","0.001","34.4314","0.0019","90","","91.776","0.003","90","","4800.6","0.4","100","2","99.98","","","","","","","","","5","P 1 c 1","P -2yc","7","","","","- C25 H28 N4 O5 S -","- C25 H28 N4 O5 S -","- C200 H224 N32 O40 S8 -","8","4","","Blackham, Emma E.; Knowles, Jonathan P.; Burgess, Jonathan; Booker-Milburn, Kevin I.","Combining photochemistry and catalysis: rapid access to sp3‒ rich polyheterocycles from simple pyrroles","Chem. Sci.","2016","7","3","2302","","10.1039/C5SC04062K","","","0.71073","MoKα","","0.0796","0.0585","","","0.1154","0.1245","","","","","","1.043","","","","has coordinates","177729","2020-10-21","18:00:00",""
"1542277","13.2995","0.0005","10.5425","0.0004","16.004","0.0006","90","","93.024","0.002","90","","2240.8","0.15","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C25 H29 N3 O3 S -","- C25 H29 N3 O3 S -","- C100 H116 N12 O12 S4 -","4","1","","Blackham, Emma E.; Knowles, Jonathan P.; Burgess, Jonathan; Booker-Milburn, Kevin I.","Combining photochemistry and catalysis: rapid access to sp3‒ rich polyheterocycles from simple pyrroles","Chem. Sci.","2016","7","3","2302","","10.1039/C5SC04062K","","","0.71073","MoKα","","0.0527","0.0428","","","0.0953","0.1009","","","","","","1.051","","","","has coordinates","177729","2020-10-21","18:00:00",""
"1542278","9.0044","0.0002","16.9419","0.0004","15.943","0.0003","90","","95.155","0.001","90","","2422.29","0.09","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C52 H68 B2 S4 -","- C52 H68 B2 S4 -","- C104 H136 B4 S8 -","2","0.5","","Yin, Xiaodong; Guo, Fang; Lalancette, Roger A.; Jäkle, Frieder","Luminescent Main-Chain Organoborane Polymers: Highly Robust, Electron-Deficient Poly(oligothiophene borane)s via Stille Coupling Polymerization","Macromolecules","2016","49","2","537","","10.1021/acs.macromol.5b02446","","","1.54178","CuKα","","0.044","0.042","","","0.111","0.112","","","","","","1.03","","","","has coordinates","175802","2020-10-21","18:00:00",""
"1542279","9.4008","0.0005","11.5017","0.0006","13.7959","0.0007","108.56","0.001","106.079","0.002","97.893","0.002","1316.5","0.12","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C42 H28 Cu La4 N6 O38 S2 -","- C42 H30 Cu La4 N6 O38 S2 -","- C42 H30 Cu La4 N6 O38 S2 -","1","0.5","","Cancino, P.; Vega, A.; Santiago-Portillo, Andrea; Navalon, Sergio; Alvaro, Mercedes; Aguirre, P.; Spodine, E.; García, Hermenegildo","A novel copper(ii)‒lanthanum(iii) metal organic framework as a selective catalyst for the aerobic oxidation of benzylic hydrocarbons and cycloalkenes","Catal. Sci. Technol.","2016","6","11","3727","","10.1039/C5CY01448D","","","0.71073","MoKα","","0.0296","0.0278","","","0.0765","0.0782","","","","","","1.039","","","","has coordinates","185092","2020-10-21","18:00:00",""
"1542280","7.9375","0.0003","8.7365","0.0004","12.1972","0.0005","102.684","0.002","107.187","0.002","103.796","0.002","745.41","0.06","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C10 H16 N6 Na O6 V -","- C10 H16 N6 Na O6 V -","- C20 H32 N12 Na2 O12 V2 -","2","1","","Leggett, C. J.; Parker, B. F.; Teat, S. J.; Zhang, Z.; Dau, P. D.; Lukens, W. W.; Peterson, S. M.; Cardenas, A. J. P.; Warner, M. G.; Gibson, J. K.; Arnold, J.; Rao, L.","Structural and spectroscopic studies of a rare non-oxido V(v) complex crystallized from aqueous solution","Chem. Sci.","2016","7","4","2775","","10.1039/C5SC03958D","","","0.7749","synchrotron","","0.0301","0.0263","","","0.0707","0.0729","","","","","","1.034","","","","has coordinates","181584","2020-10-21","18:00:00",""
"1542281","15.0543","0.0008","5.507","0.0003","10.1794","0.0005","90","","101.569","0.003","90","","826.77","0.08","100","","100.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","NaO2(cyclciAO)","NaO2(cyclciAO)","","- C5 H7 N3 Na O4 V -","- C5 H7 N3 Na O4 V -","- C20 H28 N12 Na4 O16 V4 -","4","1","","Leggett, C. J.; Parker, B. F.; Teat, S. J.; Zhang, Z.; Dau, P. D.; Lukens, W. W.; Peterson, S. M.; Cardenas, A. J. P.; Warner, M. G.; Gibson, J. K.; Arnold, J.; Rao, L.","Structural and spectroscopic studies of a rare non-oxido V(v) complex crystallized from aqueous solution","Chem. Sci.","2016","7","4","2775","","10.1039/C5SC03958D","","","0.71073","MoKα","","0.0485","0.033","","","0.0955","0.1112","","","","","","0.963","","","","has coordinates","181584","2020-10-21","18:00:00",""
"1542282","8.15438","0.00013","8.28026","0.00015","12.8297","0.0002","90","","92.0637","0.0014","90","","865.7","0.02","120","0.1","120","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C12 H26 Ga2 O6 -","- C12 H26 Ga2 O6 -","- C24 H52 Ga4 O12 -","2","0.5","","Horeglad, P.; Cybularczyk, M.; Litwińska, A.; Dąbrowska, A. M.; Dranka, M.; Żukowska, G. Z.; Urbańczyk, M.; Michalak, M.","Controlling the stereoselectivity of rac-LA polymerization by chiral recognition induced the formation of homochiral dimeric metal alkoxides","Polym. Chem.","2016","7","11","2022","","10.1039/C5PY02005K","","x-ray","0.71073","MoKα","","0.0197","0.0188","","","0.0459","0.0462","","","","","","1.196","","","","has coordinates","181809","2020-10-21","18:00:00",""
"1542283","6.9927","0.0003","8.3025","0.0003","8.4128","0.0003","76.086","0.003","83.924","0.003","87.628","0.003","471.36","0.03","100","0.3","100","0.3","","","","","","","","4","P 1","P 1","1","","","","- C12 H26 In2 O6 -","- C12 H26 In2 O6 -","- C12 H26 In2 O6 -","1","1","","Horeglad, P.; Cybularczyk, M.; Litwińska, A.; Dąbrowska, A. M.; Dranka, M.; Żukowska, G. Z.; Urbańczyk, M.; Michalak, M.","Controlling the stereoselectivity of rac-LA polymerization by chiral recognition induced the formation of homochiral dimeric metal alkoxides","Polym. Chem.","2016","7","11","2022","","10.1039/C5PY02005K","","x-ray","0.71073","MoKα","","0.0172","0.0158","","","0.0392","0.0398","","","","","","1.064","","","","has coordinates","181809","2020-10-21","18:00:00",""
"1542284","8.27","0.0002","8.4677","0.0002","13.1476","0.0003","90","","91.014","0.002","90","","920.55","0.04","120","0.1","120","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C12 H26 In2 O6 -","- C12 H26 In2 O6 -","- C24 H52 In4 O12 -","2","0.5","","Horeglad, P.; Cybularczyk, M.; Litwińska, A.; Dąbrowska, A. M.; Dranka, M.; Żukowska, G. Z.; Urbańczyk, M.; Michalak, M.","Controlling the stereoselectivity of rac-LA polymerization by chiral recognition induced the formation of homochiral dimeric metal alkoxides","Polym. Chem.","2016","7","11","2022","","10.1039/C5PY02005K","","x-ray","0.71073","MoKα","","0.0209","0.0202","","","0.0459","0.0461","","","","","","1.331","","","","has coordinates","181809","2020-10-21","18:00:00",""
"1542285","8.0739","0.0004","8.5229","0.0005","14.463","0.0008","90","","97.288","0.005","90","","987.2","0.09","120","0.1","120","0.1","","","","","","","","5","P 1 2/n 1","-P 2yac","13","","","","- C18 H28 Ga2 N2 O2 -","- C18 H28 Ga2 N2 O2 -","- C36 H56 Ga4 N4 O4 -","2","0.5","","Horeglad, P.; Cybularczyk, M.; Litwińska, A.; Dąbrowska, A. M.; Dranka, M.; Żukowska, G. Z.; Urbańczyk, M.; Michalak, M.","Controlling the stereoselectivity of rac-LA polymerization by chiral recognition induced the formation of homochiral dimeric metal alkoxides","Polym. Chem.","2016","7","11","2022","","10.1039/C5PY02005K","","x-ray","0.71073","MoKα","","0.0309","0.0283","","","0.0744","0.0765","","","","","","1.157","","","","has coordinates","181809","2020-10-21","18:00:00",""
"1542286","9.9794","0.001","14.104","0.0015","19.268","0.002","90","","90","","90","","2712","0.5","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C27 H40 N4 O7 -","- C27 H40 N4 O7 -","- C108 H160 N16 O28 -","4","1","","Almeida, Celso; Maddah, Fayrouz El; Kehraus, Stefan; Schnakenburg, Gregor; König, Gabriele M","Endolides A and B, Vasopressin and Serotonin-Receptor Interacting N-Methylated Peptides from the Sponge-Derived Fungus Stachylidium sp.","Organic letters","2016","18","3","528","531","10.1021/acs.orglett.5b03553","","","0.71073","MoKα","","0.1047","0.0768","","","0.2138","0.2404","","","","","","1.019","","","","has coordinates,has disorder","177448","2020-10-21","18:00:00",""
"1542287","9.873","0.002","7.792","0.0016","11.34","0.002","90","","91.557","0.006","90","","872.1","0.3","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C19 H22 O5 -","- C19 H22 O5 -","- C38 H44 O10 -","2","1","","Shaffer, Corena V.; Cai, Shengxin; Peng, Jiangnan; Robles, Andrew J.; Hartley, Rachel M.; Powell, Douglas R.; Du, Lin; Cichewicz, Robert H.; Mooberry, Susan L.","Texas Native Plants Yield Compounds with Cytotoxic Activities against Prostate Cancer Cells.","Journal of natural products","2016","79","3","531","540","10.1021/acs.jnatprod.5b00908","","","1.54178","CuKα","","0.1323","0.1117","","","0.2602","0.2975","","","","","","1.098","","","","has coordinates","181437","2020-10-21","18:00:00",""
"1542288","7.872","0.0009","7.872","0.0009","7.3258","0.001","90","","90","","120","","393.15","0.08","293","2","293","2","","","","","","","","3","P 63/m","-P 6c","176","","","","- Fe2 O9 Se3 -","- Fe2 O9 Se3 -","- Fe4 O18 Se6 -","2","0.166667","","Kovrugin, Vadim M.; Gordon, Elijah E.; Kasapbasi, Esra E.; Whangbo, Myung-Hwan; Colmont, Marie; Siidra, Oleg I.; Colis, Silviu; Krivovichev, Sergey V.; Mentré, Olivier","Bonding Scheme, Hydride Character, and Magnetic Paths of (HPO3)2‒Versus (SeO3)2‒Building Units in Solids","The Journal of Physical Chemistry C","2016","120","3","1650","","10.1021/acs.jpcc.5b10889","","","0.71073","MoKα","","0.0157","0.0141","","","0.0308","0.0311","","","","","","1.098","","","","has coordinates","177424","2020-10-21","18:00:00",""
"1542289","8.0195","0.0002","8.0195","0.0002","7.37","0.0002","90","","90","","120","","410.481","0.018","293","2","293","2","","","","","","","","4","P 63/m","-P 6c","176","","","","- Fe2 H3 O9 P3 -","- Fe2 H3 O9 P3 -","- Fe4 H6 O18 P6 -","2","0.166667","","Kovrugin, Vadim M.; Gordon, Elijah E.; Kasapbasi, Esra E.; Whangbo, Myung-Hwan; Colmont, Marie; Siidra, Oleg I.; Colis, Silviu; Krivovichev, Sergey V.; Mentré, Olivier","Bonding Scheme, Hydride Character, and Magnetic Paths of (HPO3)2‒Versus (SeO3)2‒Building Units in Solids","The Journal of Physical Chemistry C","2016","120","3","1650","","10.1021/acs.jpcc.5b10889","","","0.71073","MoKα","","0.0154","0.0133","","","0.0413","0.0433","","","","","","1.249","","","","has coordinates","177424","2020-10-21","18:00:00",""
"1542290","10.7568","0.0008","11.9888","0.0009","14.3677","0.0012","90","","108.538","0.003","90","","1756.7","0.2","100","","100","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C15 H9 Cl3 N3 O3 Re -","- C15 H9 Cl3 N3 O3 Re -","- C60 H36 Cl12 N12 O12 Re4 -","4","1","","Clark, Melissa L.; Rudshteyn, Benjamin; Ge, Aimin; Chabolla, Steven A.; Machan, Charles W.; Psciuk, Brian T.; Song, Jia; Canzi, Gabriele; Lian, Tianquan; Batista, Victor S.; Kubiak, Clifford P.","Orientation of Cyano-Substituted Bipyridine Re(I)fac-Tricarbonyl Electrocatalysts Bound to Conducting Au Surfaces","The Journal of Physical Chemistry C","2016","120","3","1657","","10.1021/acs.jpcc.5b10912","","","0.71073","MoKα","","0.019","0.0148","","","0.0277","0.0287","","","","","","1.0388","","","","has coordinates","177425","2020-10-21","18:00:00",""
"1542291","8.3755","0.001","11.7615","0.0014","19.164","0.002","90","","100.728","0.005","90","","1854.8","0.4","100","","100","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C16 H8 Cl3 N4 O3 Re -","- C16 H8 Cl3 N4 O3 Re -","- C64 H32 Cl12 N16 O12 Re4 -","4","1","","Clark, Melissa L.; Rudshteyn, Benjamin; Ge, Aimin; Chabolla, Steven A.; Machan, Charles W.; Psciuk, Brian T.; Song, Jia; Canzi, Gabriele; Lian, Tianquan; Batista, Victor S.; Kubiak, Clifford P.","Orientation of Cyano-Substituted Bipyridine Re(I)fac-Tricarbonyl Electrocatalysts Bound to Conducting Au Surfaces","The Journal of Physical Chemistry C","2016","120","3","1657","","10.1021/acs.jpcc.5b10912","","","0.71073","MoKα","","0.0279","0.0228","","","0.0492","0.0518","","","","","","1.0383","","","","has coordinates","177425","2020-10-21","18:00:00",""
"1542292","9.0877","0.0003","15.0437","0.0004","9.2994","0.0003","90","","111.757","0.004","90","","1180.78","0.07","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C28 H28 N2 O4 -","- C28 H28 N2 O4 -","- C56 H56 N4 O8 -","2","1","","Garve, Lennart K. B.; Petzold, Martin; Jones, Peter G.; Werz, Daniel B.","[3 + 3]-Cycloaddition of Donor-Acceptor Cyclopropanes with Nitrile Imines Generated in Situ: Access to Tetrahydropyridazines.","Organic letters","2016","18","3","564","567","10.1021/acs.orglett.5b03598","","","0.71073","MoKα","","0.0394","0.037","","","0.0915","0.0933","","","","","","1.053","","","","has coordinates","177441","2020-10-21","18:00:00",""
"1542293","8.721","0.0004","11.0214","0.0005","11.5267","0.0005","101.563","0.0009","96.6362","0.0009","110.424","0.0008","996.22","0.08","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C24 H30 N2 O2 -","- C24 H30 N2 O2 -","- C48 H60 N4 O4 -","2","1","","Zhu, Zhengbo; Seidel, Daniel","An Ugi Reaction Incorporating a Redox-Neutral Amine C-H Functionalization Step.","Organic letters","2016","18","4","631","633","10.1021/acs.orglett.5b03529","","","0.71073","MoKα","","0.0487","0.0428","","","0.112","0.1172","","","","","","1.002","","","","has coordinates","177434","2020-10-21","18:00:00",""
"1542294","9.8336","0.0006","14.2701","0.0009","16.3902","0.001","83.637","0.002","85.505","0.002","83.306","0.002","2265.2","0.2","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","Th1-TIPS","","- C48 H66 S3 Si2 -","- C48 H66 S3 Si2 -","- C96 H132 S6 Si4 -","2","1","","Shi, Xueliang; Quintero, Estefanía; Lee, Sangsu; Jing, Linzhi; Herng, Tun Seng; Zheng, Bin; Huang, Kuo-Wei; López Navarrete, Juan T.; Ding, Jun; Kim, Dongho; Casado, Juan; Chi, Chunyan","Benzo-thia-fused [n]thienoacenequinodimethanes with small to moderate diradical characters: the role of pro-aromaticity versus anti-aromaticity","Chem. Sci.","2016","7","5","3036","","10.1039/C5SC04706D","","","0.71073","MoKα","","0.0888","0.0591","","","0.1306","0.1444","","","","","","1.04","","","","has coordinates","182625","2020-10-21","18:00:00",""
"1542295","7.4217","0.0004","19.0953","0.0011","19.1877","0.0016","63.238","0.002","89.851","0.003","79.162","0.002","2374.2","0.3","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","Th2-TIPS","","- C50 H66 S4 Si2 -","- C50 H66 S4 Si2 -","- C100 H132 S8 Si4 -","2","1","","Shi, Xueliang; Quintero, Estefanía; Lee, Sangsu; Jing, Linzhi; Herng, Tun Seng; Zheng, Bin; Huang, Kuo-Wei; López Navarrete, Juan T.; Ding, Jun; Kim, Dongho; Casado, Juan; Chi, Chunyan","Benzo-thia-fused [n]thienoacenequinodimethanes with small to moderate diradical characters: the role of pro-aromaticity versus anti-aromaticity","Chem. Sci.","2016","7","5","3036","","10.1039/C5SC04706D","","","1.54178","CuKα","","0.1101","0.0922","","","0.2629","0.3472","","","","","","1.561","","","","has coordinates,has disorder","182625","2020-10-21","18:00:00",""
"1542296","14.9964","0.0004","18.3543","0.0005","19.3746","0.0005","96.6629","0.0012","99.0302","0.0012","98.7364","0.0011","5151.9","0.2","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","Th3-TIPS","","- C52 H66 S5 Si2 -","- C52 H66 S5 Si2 -","- C208 H264 S20 Si8 -","4","2","","Shi, Xueliang; Quintero, Estefanía; Lee, Sangsu; Jing, Linzhi; Herng, Tun Seng; Zheng, Bin; Huang, Kuo-Wei; López Navarrete, Juan T.; Ding, Jun; Kim, Dongho; Casado, Juan; Chi, Chunyan","Benzo-thia-fused [n]thienoacenequinodimethanes with small to moderate diradical characters: the role of pro-aromaticity versus anti-aromaticity","Chem. Sci.","2016","7","5","3036","","10.1039/C5SC04706D","","","1.54178","CuKα","","0.0642","0.0442","","","0.1035","0.1145","","","","","","1.027","","","","has coordinates,has disorder","217633","2020-10-21","18:00:00",""
"1542297","6.9436","0.0002","21.6735","0.0006","33.9795","0.0008","90","","94.396","0.001","90","","5098.6","0.2","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","BDTh-TIPS","","- C54 H68 S4 Si2 -","- C54 H68 S4 Si2 -","- C216 H272 S16 Si8 -","4","1","","Shi, Xueliang; Quintero, Estefanía; Lee, Sangsu; Jing, Linzhi; Herng, Tun Seng; Zheng, Bin; Huang, Kuo-Wei; López Navarrete, Juan T.; Ding, Jun; Kim, Dongho; Casado, Juan; Chi, Chunyan","Benzo-thia-fused [n]thienoacenequinodimethanes with small to moderate diradical characters: the role of pro-aromaticity versus anti-aromaticity","Chem. Sci.","2016","7","5","3036","","10.1039/C5SC04706D","","","1.54178","CuKα","","0.068","0.0495","","","0.1206","0.1327","","","","","","1.018","","","","has coordinates,has disorder","182625","2020-10-21","18:00:00",""
"1542298","10.2218","0.0007","9.8805","0.001","20.3205","0.0016","90","","117.561","0.006","90","","1819.4","0.3","104.6","","104.6","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","4,9-bis(4-(2,2-diphenylvinyl)phenyl)-naphtho[2,3-c][1,2,5]selenadiazole","","- C50 H34 N2 Se -","- C50 H34 N2 Se -","- C100 H68 N4 Se2 -","2","0.5","","Xue, Jie; Li, Chen; Xin, Lijun; Duan, Lian; Qiao, Juan","High-efficiency and low efficiency roll-off near-infrared fluorescent OLEDs through triplet fusion","Chem. Sci.","2016","7","4","2888","","10.1039/C5SC04685H","","","0.7107","MoKα","","0.0606","0.0426","","","0.0881","0.0951","","","","","","1.077","","","","has coordinates,has disorder","181585","2020-10-21","18:00:00",""
"1542299","14.9598","0.0007","22.5882","0.0011","16.6294","0.0008","90","","112.453","0.0013","90","","5193.3","0.4","100","","100","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","[(mfpy)2Ir(dib)]PF6","","- C57 H59 F6 Ir N7 P -","- C57 H59 F6 Ir N7 P -","- C228 H236 F24 Ir4 N28 P4 -","4","1","","Yang, Chen; Mehmood, Faisal; Lam, Tsz Lung; Chan, Sharon Lai-Fung; Wu, Yuan; Yeung, Chi-Shun; Guan, Xiangguo; Li, Kai; Chung, Clive Yik-Sham; Zhou, Cong-Ying; Zou, Taotao; Che, Chi-Ming","Stable luminescent iridium(iii) complexes with bis(N-heterocyclic carbene) ligands: photo-stability, excited state properties, visible-light-driven radical cyclization and CO2reduction, and cellular imaging","Chem. Sci.","2016","7","5","3123","","10.1039/C5SC04458H","","","1.54178","CuKα","","0.0706","0.0647","","","0.1706","0.1799","","","","","","1.049","","","","has coordinates","182618","2020-10-21","18:00:00",""
"1542300","13.346","0.0005","19.6302","0.0007","30.1437","0.0011","90","","90","","90","","7897.2","0.5","100","","100","","","","","","","","","7","P b c a","-P 2ac 2ab","61","","[(Hbta)2Ir(dib)]OTf","","- C42 H40 F3 Ir N6 O3 S3 -","- C42 H40 F3 Ir N6 O3 S3 -","- C336 H320 F24 Ir8 N48 O24 S24 -","8","1","","Yang, Chen; Mehmood, Faisal; Lam, Tsz Lung; Chan, Sharon Lai-Fung; Wu, Yuan; Yeung, Chi-Shun; Guan, Xiangguo; Li, Kai; Chung, Clive Yik-Sham; Zhou, Cong-Ying; Zou, Taotao; Che, Chi-Ming","Stable luminescent iridium(iii) complexes with bis(N-heterocyclic carbene) ligands: photo-stability, excited state properties, visible-light-driven radical cyclization and CO2reduction, and cellular imaging","Chem. Sci.","2016","7","5","3123","","10.1039/C5SC04458H","","","1.54178","CuKα","","0.0228","0.0227","","","0.0588","0.059","","","","","","1.127","","","","has coordinates","182618","2020-10-21","18:00:00",""
"1542301","15.8141","0.0006","16.3895","0.0006","18.8888","0.0007","67.048","0.0019","67.5521","0.0017","82.559","0.002","4165.4","0.3","100","","100","","","","","","","","","7","P -1","-P 1","2","","[cis-(Hbta)2Ir(dib)]OTf","","- C42 H40 F3 Ir N6 O3 S3 -","- C42 H40 F3 Ir N6 O3 S3 -","- C168 H160 F12 Ir4 N24 O12 S12 -","4","2","","Yang, Chen; Mehmood, Faisal; Lam, Tsz Lung; Chan, Sharon Lai-Fung; Wu, Yuan; Yeung, Chi-Shun; Guan, Xiangguo; Li, Kai; Chung, Clive Yik-Sham; Zhou, Cong-Ying; Zou, Taotao; Che, Chi-Ming","Stable luminescent iridium(iii) complexes with bis(N-heterocyclic carbene) ligands: photo-stability, excited state properties, visible-light-driven radical cyclization and CO2reduction, and cellular imaging","Chem. Sci.","2016","7","5","3123","","10.1039/C5SC04458H","","","1.54178","CuKα","","0.2365","0.1713","","","0.3922","0.4436","","","","","","1.036","","","","has coordinates","182618","2020-10-21","18:00:00",""
"1542302","11.6716","0.0007","12.4594","0.0008","14.7489","0.0009","74.683","0.002","86.255","0.002","83.689","0.002","2054.6","0.2","115","","115.04","","","","","","","","","7","P -1","-P 1","2","","(lpt)2Ir(dib)OTf","","- C44 H44 F3 Ir N6 O3 S3 -","- C44 H44 F3 Ir N6 O3 S3 -","- C88 H88 F6 Ir2 N12 O6 S6 -","2","1","","Yang, Chen; Mehmood, Faisal; Lam, Tsz Lung; Chan, Sharon Lai-Fung; Wu, Yuan; Yeung, Chi-Shun; Guan, Xiangguo; Li, Kai; Chung, Clive Yik-Sham; Zhou, Cong-Ying; Zou, Taotao; Che, Chi-Ming","Stable luminescent iridium(iii) complexes with bis(N-heterocyclic carbene) ligands: photo-stability, excited state properties, visible-light-driven radical cyclization and CO2reduction, and cellular imaging","Chem. Sci.","2016","7","5","3123","","10.1039/C5SC04458H","","","0.71073","MoKα","","0.0126","0.0123","","","0.0307","0.0309","","","","","","1.012","","","","has coordinates","182618","2020-10-21","18:00:00",""
"1542304","6.955","0.0003","10.6206","0.0004","23.9572","0.001","90","","90","","90","","1769.63","0.13","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C19 H24 N2 O -","- C19 H24 N2 O -","- C76 H96 N8 O4 -","4","1","","Pan, Zhiqiang; Qin, Xu-Jie; Liu, Ya-Ping; Wu, Ting; Luo, Xiao-Dong; Xia, Chengfeng","Alstoscholarisines H-J, Indole Alkaloids from Alstonia scholaris: Structural Evaluation and Bioinspired Synthesis of Alstoscholarisine H.","Organic letters","2016","18","4","654","657","10.1021/acs.orglett.5b03583","","","1.54178","CuKα","","0.0806","0.0779","","","0.2095","0.2165","","","","","","1.184","","","","has coordinates","177433","2020-10-21","18:00:00",""
"1542305","8.0376","0.0008","12.1437","0.0013","32.747","0.003","90","","90","","90","","3196.3","0.6","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C19 H24 N2 O -","- C19 H24 N2 O -","- C152 H192 N16 O8 -","8","2","","Pan, Zhiqiang; Qin, Xu-Jie; Liu, Ya-Ping; Wu, Ting; Luo, Xiao-Dong; Xia, Chengfeng","Alstoscholarisines H-J, Indole Alkaloids from Alstonia scholaris: Structural Evaluation and Bioinspired Synthesis of Alstoscholarisine H.","Organic letters","2016","18","4","654","657","10.1021/acs.orglett.5b03583","","","0.71073","MoKα","","0.0601","0.0443","","","0.1078","0.1195","","","","","","1.065","","","","has coordinates","177433","2020-10-21","18:00:00",""
"1542306","6.22509","0.00005","17.41592","0.00017","26.9154","0.0002","90","","90","","90","","2918.05","0.04","277.74","0.1","277.74","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C31 H30 O9 Se -","- C31 H30 O9 Se -","- C124 H120 O36 Se4 -","4","1","","McDonagh, Anthony W.; Mahon, Mary F.; Murphy, Paul V.","Lewis Acid Induced Anomerization of Se-Glycosides. Application to Synthesis of α-Se-GalCer.","Organic letters","2016","18","3","552","555","10.1021/acs.orglett.5b03591","","x-ray","1.54184","CuKα","","0.0284","0.0267","","","0.0641","0.065","","","","","","1.063","","","","has coordinates","177445","2020-10-21","18:00:00",""
"1542307","23.4378","0.0004","11.3628","0.0002","14.9029","0.0004","90","","117.124","0.001","90","","3532.43","0.13","180","2","180","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C22 H18 N2 O3 -","- C22 H18 N2 O3 -","- C176 H144 N16 O24 -","8","1","","Fox, J. C.; Gilligan, R. E.; Pitts, A. K.; Bennett, H. R.; Gaunt, M. J.","The total synthesis of K-252c (staurosporinone) via a sequential C‒H functionalisation strategy","Chem. Sci.","2016","7","4","2706","","10.1039/C5SC04399A","","","0.71073","MoKα","","0.0813","0.043","","","0.1031","0.112","","","","","","0.964","","","","has coordinates","181579","2020-10-21","18:00:00",""
"1542308","7.608","0.002","9.473","0.003","9.93","0.003","99.76","0.005","96.941","0.004","90.08","0.005","700","0.4","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C14 H10 Br N O4 S -","- C14 H10 Br N O4 S -","- C28 H20 Br2 N2 O8 S2 -","2","1","","Maji, Arun; Bhaskararao, Bangaru; Singha, Santanu; Sunoj, Raghavan B.; Maiti, Debabrata","Directing group assisted meta-hydroxylation by C‒H activation","Chem. Sci.","2016","7","5","3147","","10.1039/C5SC04060D","","","0.71075","MoKα","","0.0399","0.0364","","","0.0881","0.09","","","","","","1.076","","","","has coordinates","182621","2020-10-21","18:00:00",""
"1542309","8.087","0.002","8.59","0.003","11.637","0.004","87.857","0.013","79.184","0.011","79.188","0.012","779.9","0.4","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C16 H12 F N O5 S -","- C16 H12 F N O5 S -","- C32 H24 F2 N2 O10 S2 -","2","1","","Maji, Arun; Bhaskararao, Bangaru; Singha, Santanu; Sunoj, Raghavan B.; Maiti, Debabrata","Directing group assisted meta-hydroxylation by C‒H activation","Chem. Sci.","2016","7","5","3147","","10.1039/C5SC04060D","","","0.71075","MoKα","","0.048","0.0416","","","0.118","0.1227","","","","","","1.069","","","","has coordinates","182621","2020-10-21","18:00:00",""
"1542310","5.327","0.003","15.367","0.01","19.69","0.012","90","","90","","90","","1611.8","1.7","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C16 H12 Cl2 N O5 S -","- C16 H11 Cl2 N O5 S -","- C64 H44 Cl8 N4 O20 S4 -","4","1","","Maji, Arun; Bhaskararao, Bangaru; Singha, Santanu; Sunoj, Raghavan B.; Maiti, Debabrata","Directing group assisted meta-hydroxylation by C‒H activation","Chem. Sci.","2016","7","5","3147","","10.1039/C5SC04060D","","","0.71075","MoKα","","0.0736","0.0659","","","0.153","0.1579","","","","","","1.155","","","","has coordinates","182621","2020-10-21","18:00:00",""
"1542311","8.3889","0.0004","21.3112","0.001","11.195","0.0006","90","","93.127","0.003","90","","1998.43","0.17","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C45.5 H52.5 N6 O1.5 Zn -","- C45.5 H48.82 N6 O1.5 Zn -","- C91 H97.64 N12 O3 Zn2 -","2","1","","Black, Samuel P.; Wood, Daniel M.; Schwarz, Felix B.; Ronson, Tanya K.; Holstein, Julian J.; Stefankiewicz, Artur R.; Schalley, Christoph A.; Sanders, Jeremy. K. M.; Nitschke, Jonathan R.","Catenation and encapsulation induce distinct reconstitutions within a dynamic library of mixed-ligand Zn4L6cages","Chem. Sci.","2016","7","4","2614","","10.1039/C5SC04906G","","","0.6889","synchrotron","","0.0901","0.0584","","","0.1629","0.1776","","","","","","1.045","","","","has coordinates,has disorder","181587","2020-10-21","18:00:00",""
"1542312","29.307","0.005","45.11","0.009","26.896","0.006","90","","91.52","0.03","90","","35545","12","120","2","120","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C230 H132 F24 N37 O28 P3 S2 Zn4 -","- C230 H132 F24 N37 O28 P3 S2 Zn4 -","- C920 H528 F96 N148 O112 P12 S8 Zn16 -","4","1","","Black, Samuel P.; Wood, Daniel M.; Schwarz, Felix B.; Ronson, Tanya K.; Holstein, Julian J.; Stefankiewicz, Artur R.; Schalley, Christoph A.; Sanders, Jeremy. K. M.; Nitschke, Jonathan R.","Catenation and encapsulation induce distinct reconstitutions within a dynamic library of mixed-ligand Zn4L6cages","Chem. Sci.","2016","7","4","2614","","10.1039/C5SC04906G","","","1.54184","CuKα","","0.2138","0.1969","","","0.5204","0.5324","","","","","","2.255","","","","has coordinates","181587","2020-10-21","18:00:00",""
"1542313","35.224","0.0014","35.224","0.0014","43.354","0.002","90","","90","","120","","46584","3","100","2","100","2","","","","","","","","7","P -3 c 1","-P 3 2""c","165","","","","- C350 H327 F24 N51 O27 S8 Zn10 -","- C345 H327 F9 N51 O12 S3 Zn10 -","- C1380 H1308 F36 N204 O48 S12 Zn40 -","4","0.333333","","Black, Samuel P.; Wood, Daniel M.; Schwarz, Felix B.; Ronson, Tanya K.; Holstein, Julian J.; Stefankiewicz, Artur R.; Schalley, Christoph A.; Sanders, Jeremy. K. M.; Nitschke, Jonathan R.","Catenation and encapsulation induce distinct reconstitutions within a dynamic library of mixed-ligand Zn4L6cages","Chem. Sci.","2016","7","4","2614","","10.1039/C5SC04906G","","","0.6889","synchrotron","","0.1292","0.1034","","","0.2721","0.2977","","","","","","1.129","","","","has coordinates,has disorder","181587","2020-10-21","18:00:00",""
"1542314","15.0258","0.0002","15.0258","0.0002","24.0607","0.0007","90","","90","","90","","5432.3","0.19","295","2","295","2","","","","","","","","3","P 41 21 2","P 4abw 2nw","92","","","","- C29 H38 O8 -","- C29 H38 O8 -","- C232 H304 O64 -","8","1","","Chen, Chien-Chih; Tzeng, Tsai-Teng; Chen, Chin-Chu; Ni, Ching-Li; Lee, Li-Ya; Chen, Wan-Ping; Shiao, Young-Ji; Shen, Chien-Chang","Erinacine S, a Rare Sesterterpene from the Mycelia of Hericium erinaceus.","Journal of natural products","2016","79","2","438","441","10.1021/acs.jnatprod.5b00474","","","1.54178","CuKα","","0.0732","0.0508","","","0.1237","0.1403","","","","","","1.025","","","","has coordinates","177412","2020-10-21","18:00:00",""
"1542315","11.84","0.005","10.52","0.005","23.1","0.005","90","0.005","96.951","0.005","90","0.005","2856.1","1.9","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C32 H30 N4 O6 -","- C32 H30 N4 O6 -","- C128 H120 N16 O24 -","4","1","","Ghorai, Anupam; Mondal, Jahangir; Saha, Rajat; Bhattacharya, Sumantra; Patra, Goutam K.","A highly sensitive reversible fluorescent-colorimetric azino bis-Schiff base sensor for rapid detection of Pb2+in aqueous media","Anal. Methods","2016","8","9","2032","","10.1039/C5AY03374H","","","0.71073","MoKα","","0.1756","0.0963","","","0.2211","0.286","","","","","","1.088","","","","has coordinates","177623","2020-10-21","18:00:00",""
"1542316","16.8108","0.0005","19.7138","0.0007","23.9394","0.0009","90","","90","","90","","7933.6","0.5","100","0.1","100","0.1","","","","","","","GeO2","6","P n m a","-P 2ac 2n","62","germanate","PKU-15","","- C12 H32 Ge13.75 N2 O31 Si1.25 -","- C12 H30 Ge14.269 N2 O31 Si0.731 -","- C96 H240 Ge114.152 N16 O248 Si5.848 -","8","1","","Liang, Jie; Xia, Wei; Sun, Junliang; Su, Jie; Dou, Maofeng; Zou, Ruqiang; Liao, Fuhui; Wang, Yingxia; Lin, Jianhua","A multi-dimensional quasi-zeolite with 12 ×10 ×7-ring channels demonstrates high thermal stability and good gas adsorption selectivity","Chem. Sci.","2016","7","5","3025","","10.1039/C5SC04916D","","","0.71073","MoKα","","0.0741","0.0514","","","0.1222","0.1346","","","","","","1.098","","","","has coordinates","182629","2020-10-21","18:00:00",""
"1542317","6.3258","0.0013","8.2673","0.0017","16.726","0.003","78.52","0.03","85.68","0.03","79.53","0.03","842.3","0.3","295","2","295","2","","","","","","","","6","P -1","-P 1","2","","","","- C18 H18 Cl N O S -","- C18 H18 Cl N O S -","- C36 H36 Cl2 N2 O2 S2 -","2","1","","Wan, Jie-Ping; Zhong, Shanshan; Xie, Lili; Cao, Xiaoji; Liu, Yunyun; Wei, Li","KIO3-Catalyzed Aerobic Cross-Coupling Reactions of Enaminones and Thiophenols: Synthesis of Polyfunctionalized Alkenes by Metal-Free C-H Sulfenylation.","Organic letters","2016","18","3","584","587","10.1021/acs.orglett.5b03608","","","0.71073","MoKα","","0.0745","0.047","","","0.1233","0.1642","","","","","","1.161","","","","has coordinates","177443","2020-10-21","18:00:00",""
"1542318","11.1378","0.0003","11.3745","0.0002","13.5667","0.0003","90","","90","","90","","1718.72","0.07","90","2","90","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C20 H32 O2 -","- C20 H32 O2 -","- C80 H128 O8 -","4","1","","Barton, Naomi A.; Marsh, Benjamin J.; Lewis, William; Narraidoo, Nathalie; Seymour, Graham B.; Fray, Rupert; Hayes, Christopher J.","Accessing low-oxidation state taxanes: is taxadiene-4(5)-epoxide on the taxol biosynthetic pathway?","Chem. Sci.","2016","7","5","3102","","10.1039/C5SC03463A","","x-ray","1.54184","CuKα","","0.0397","0.0391","","","0.1065","0.1074","","","","","","1.044","","","","has coordinates","182623","2020-10-21","18:00:00",""
"1542319","18.4394","0.0005","13.7828","0.0003","8.116","0.0002","90","","92.319","0.002","90","","2060.96","0.09","150","2","150","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C24 H20 La N O9 -","- C21 H11 La O7 -","- C84 H44 La4 O28 -","4","1","","Gong, Yun-Nan; Ouyang, Ting; He, Chun-Ting; Lu, Tong-Bu","Photoinduced water oxidation by an organic ligand incorporated into the framework of a stable metal‒organic framework","Chem. Sci.","2016","7","2","1070","","10.1039/C5SC02679B","","","1.54178","CuKα","","0.0373","0.0356","","","0.0903","0.0917","","","","","","1.077","","","","has coordinates","175136","2020-10-21","18:00:00",""
"1542320","15.518","0.001","20.0893","0.0013","26.9179","0.0018","90","","104.175","0.0009","90","","8136","0.9","88","2","88","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C85 H121.5 Fe2 N3.5 O6 -","- C85 H121.5 Fe2 N3.5 O6 -","- C340 H486 Fe8 N14 O24 -","4","1","","Wong, Janice L.; Higgins, Robert F.; Bhowmick, Indrani; Cao, David Xi; Szigethy, Géza; Ziller, Joseph W.; Shores, Matthew P.; Heyduk, Alan F.","Bimetallic iron‒iron and iron‒zinc complexes of the redox-active ONO pincer ligand","Chem. Sci.","2016","7","2","1594","","10.1039/C5SC03006D","","","0.71073","MoKα","","0.0625","0.0412","","","0.0951","0.1059","","","","","","1.013","","","","has coordinates,has disorder","175138","2020-10-21","18:00:00",""
"1542321","15.5857","0.0008","20.1236","0.0011","26.8587","0.0014","90","","104.233","0.0007","90","","8165.4","0.7","143","2","143","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C84 H120 Fe N3 O6 Zn -","- C84 H120 Fe N3 O6 Zn -","- C336 H480 Fe4 N12 O24 Zn4 -","4","1","","Wong, Janice L.; Higgins, Robert F.; Bhowmick, Indrani; Cao, David Xi; Szigethy, Géza; Ziller, Joseph W.; Shores, Matthew P.; Heyduk, Alan F.","Bimetallic iron‒iron and iron‒zinc complexes of the redox-active ONO pincer ligand","Chem. Sci.","2016","7","2","1594","","10.1039/C5SC03006D","","","0.71073","MoKα","","0.0573","0.0429","","","0.1207","0.13","","","","","","1.035","","","","has coordinates,has disorder","175138","2020-10-21","18:00:00",""
"1542322","14.208","0.003","20.222","0.004","14.512","0.003","90","","108.954","0.003","90","","3943.4","1.4","88","2","88","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C41.5 H54 N4 O2 Zn -","- C41.5 H54 N4 O2 Zn -","- C166 H216 N16 O8 Zn4 -","4","2","","Wong, Janice L.; Higgins, Robert F.; Bhowmick, Indrani; Cao, David Xi; Szigethy, Géza; Ziller, Joseph W.; Shores, Matthew P.; Heyduk, Alan F.","Bimetallic iron‒iron and iron‒zinc complexes of the redox-active ONO pincer ligand","Chem. Sci.","2016","7","2","1594","","10.1039/C5SC03006D","","","0.71073","MoKα","","0.0503","0.0435","","","0.0978","0.1005","","","","","","1.074","","","","has coordinates","175138","2020-10-21","18:00:00",""
"1542323","18.9411","0.001","8.6917","0.0004","33.5158","0.0017","90","","90","","90","","5517.7","0.5","100","","100","","","","","","","","","4","P n a 21","P 2c -2n","33","Co(terpy)2(TCNQ)3(CH3CN)","Cobalt(II) bis(2,2?:6?,2??-terpyridine) tri-7,7,8,8-tetracyanoquinodimethanide acetonitrile","","- C68 H37 Co N19 -","- C68 H37 Co N19 -","- C272 H148 Co4 N76 -","4","1","","Zhang, Xuan; Wang, Zhao-Xi; Xie, Haomiao; Li, Ming-Xing; Woods, Toby J.; Dunbar, Kim R.","A cobalt(ii) spin-crossover compound with partially charged TCNQ radicals and an anomalous conducting behavior","Chem. Sci.","2016","7","2","1569","","10.1039/C5SC03547C","","","0.71073","MoKα","","0.0796","0.0507","","","0.1083","0.1243","","","","","","1.01","","","","has coordinates","175139","2020-10-21","18:00:00",""
"1542324","19.087","0.007","8.742","0.003","33.634","0.012","90","","90","","90","","5612","3","150","2","150.15","","","","","","","","","4","P n a 21","P 2c -2n","33","Co(terpy)2(TCNQ)3(CH3CN)","Cobalt(II) bis(2,2?:6?,2??-terpyridine) tri-7,7,8,8-tetracyanoquinodimethanide acetonitrile","","- C68 H37 Co N19 -","- C68 H37 Co N19 -","- C272 H148 Co4 N76 -","4","1","","Zhang, Xuan; Wang, Zhao-Xi; Xie, Haomiao; Li, Ming-Xing; Woods, Toby J.; Dunbar, Kim R.","A cobalt(ii) spin-crossover compound with partially charged TCNQ radicals and an anomalous conducting behavior","Chem. Sci.","2016","7","2","1569","","10.1039/C5SC03547C","","","0.71073","MoKα","","0.0838","0.045","","","0.0713","0.0817","","","","","","0.864","","","","has coordinates","175139","2020-10-21","18:00:00",""
"1542325","18.969","0.006","8.681","0.003","33.397","0.01","90","","90","","90","","5499","3","180.15","","180.15","","","","","","","","","4","P n a 21","P 2c -2n","33","Co(terpy)2(TCNQ)3(CH3CN)","Cobalt(II) bis(2,2?:6?,2??-terpyridine) tri-7,7,8,8-tetracyanoquinodimethanide acetonitrile","","- C68 H37 Co N19 -","- C68 H37 Co N19 -","- C272 H148 Co4 N76 -","4","1","","Zhang, Xuan; Wang, Zhao-Xi; Xie, Haomiao; Li, Ming-Xing; Woods, Toby J.; Dunbar, Kim R.","A cobalt(ii) spin-crossover compound with partially charged TCNQ radicals and an anomalous conducting behavior","Chem. Sci.","2016","7","2","1569","","10.1039/C5SC03547C","","","0.71073","MoKα","","0.1258","0.0508","","","0.0868","0.124","","","","","","0.845","","","","has coordinates","175139","2020-10-21","18:00:00",""
"1542326","19.2853","0.0015","8.727","0.0007","33.589","0.003","90","","90","","90","","5653.1","0.8","300","2","300","","","","","","","","","4","P n a 21","P 2c -2n","33","","Cobalt(II) bis(2,2?:6?,2??-terpyridine) tri-7,7,8,8-tetracyanoquinodimethanide acetonitrile","","- C68 H37 Co N19 -","- C68 H37 Co N19 -","- C272 H148 Co4 N76 -","4","1","","Zhang, Xuan; Wang, Zhao-Xi; Xie, Haomiao; Li, Ming-Xing; Woods, Toby J.; Dunbar, Kim R.","A cobalt(ii) spin-crossover compound with partially charged TCNQ radicals and an anomalous conducting behavior","Chem. Sci.","2016","7","2","1569","","10.1039/C5SC03547C","","","0.71073","MoKα","","0.0757","0.0482","","","0.1173","0.1483","","","","","","1.046","","","","has coordinates","175139","2020-10-21","18:00:00",""
"1542327","18.967","0.003","8.6864","0.0012","33.532","0.005","90","","90","","90","","5524.6","1.4","130.15","","130","","","","","","","","","4","P n a 21","P 2c -2n","33","Co(terpy)2(TCNQ)3_MeCN","Cobalt(II) bis(2,2';6',2""-terpyridine) tetracyanoquinodimethanide mono acetonitrile","","- C68 H37 Co N19 -","- C68 H37 Co N19 -","- C272 H148 Co4 N76 -","4","1","","Zhang, Xuan; Wang, Zhao-Xi; Xie, Haomiao; Li, Ming-Xing; Woods, Toby J.; Dunbar, Kim R.","A cobalt(ii) spin-crossover compound with partially charged TCNQ radicals and an anomalous conducting behavior","Chem. Sci.","2016","7","2","1569","","10.1039/C5SC03547C","","","0.71073","MoKα","","0.0854","0.0451","","","0.0783","0.0888","","","","","","0.872","","","","has coordinates","175139","2020-10-21","18:00:00",""
"1542328","19.074","0.006","8.705","0.003","33.611","0.01","90","","90","","90","","5581","3","190","","190","","","","","","","","","4","P n a 21","P 2c -2n","33","Co(terpy)2(TCNQ)3_MeCN","Cobalt(II) bis(2,2';6',2""-terpyridine) tetracyanoquinodimethanide mono acetonitrile","","- C68 H37 Co N19 -","- C68 H37 Co N19 -","- C272 H148 Co4 N76 -","4","1","","Zhang, Xuan; Wang, Zhao-Xi; Xie, Haomiao; Li, Ming-Xing; Woods, Toby J.; Dunbar, Kim R.","A cobalt(ii) spin-crossover compound with partially charged TCNQ radicals and an anomalous conducting behavior","Chem. Sci.","2016","7","2","1569","","10.1039/C5SC03547C","","","0.71073","MoKα","","0.0799","0.0475","","","0.071","0.0829","","","","","","1.018","","","","has coordinates","175139","2020-10-21","18:00:00",""
"1542329","22.597","0.002","8.0328","0.0006","20.9789","0.0019","90","","98.073","0.005","90","","3770.3","0.6","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Dibromo Dithieno[2,3-d;2?,3?-d]benzo[2,1-b:3,4-b']dithiophene","Br2-DTmBDT","","- C38 H52 Br2 S4 -","- C38 H52 Br2 S4 -","- C152 H208 Br8 S16 -","4","1","","Keerthi, Ashok; An, Cunbin; Li, Mengmeng; Marszalek, Tomasz; Ricciardulli, Antonio Gaetano; Radha, Boya; Alsewailem, Fares D.; Müllen, Klaus; Baumgarten, Martin","Dithieno[2,3-d;2′,3′-d]benzo[2,1-b;3,4-b‘]dithiophene: a novel building-block for a planar copolymer","Polym. Chem.","2016","7","8","1545","","10.1039/C6PY00023A","","","0.71073","MoKα","","0.0771","0.0432","","","0.0891","0.101","","","","","","0.987","","","","has coordinates","177939","2020-10-21","18:00:00",""
"1542332","8.4621","0.0004","10.291","0.0006","8.8558","0.0006","90","","105.314","0.006","90","","743.81","0.08","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C16 H17 O4 P -","- C16 H17 O4 P -","- C32 H34 O8 P2 -","2","1","","Bigler, Raphael; Mezzetti, Antonio","Highly Enantioselective Transfer Hydrogenation of Polar Double Bonds by Macrocyclic Iron(II)/(NH)2P2Catalysts","Organic Process Research & Development","2016","20","2","253","","10.1021/acs.oprd.5b00391","","x-ray","0.71073","MoKα","","0.0477","0.0413","","","0.0878","0.0927","","","","","","1.03","","","","has coordinates","177428","2020-10-21","18:00:00",""
"1542333","8.4358","0.0004","8.6021","0.0004","9.8323","0.0004","104.212","0.003","98.226","0.003","96.026","0.003","677.2","0.05","100","2","100","2","","","","","","","","4","P 1","P 1","1","","","","- C32 H32 O6 P2 -","- C32 H32 O6 P2 -","- C32 H32 O6 P2 -","1","1","","Bigler, Raphael; Mezzetti, Antonio","Highly Enantioselective Transfer Hydrogenation of Polar Double Bonds by Macrocyclic Iron(II)/(NH)2P2Catalysts","Organic Process Research & Development","2016","20","2","253","","10.1021/acs.oprd.5b00391","","x-ray","0.71073","MoKα","","0.062","0.0509","","","0.111","0.1154","","","","","","0.973","","","","has coordinates","177428","2020-10-21","18:00:00",""
"1542334","20.7004","0.0008","32.7257","0.0012","14.3246","0.0005","90","","107.689","0.001","90","","9245.2","0.6","100","2","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","[Ru(Phen)2(DPPZ)]2PF6","","- C47.5 H34.25 F12 N10.75 P2 Ru -","- C47.5 H34.25 F12 N10.75 P2 Ru -","- C380 H274 F96 N86 P16 Ru8 -","8","2","","Poynton, Fergus E.; Hall, James P.; Keane, Páraic M.; Schwarz, Christine; Sazanovich, Igor V.; Towrie, Michael; Gunnlaugsson, Thorfinnur; Cardin, Christine J.; Cardin, David J.; Quinn, Susan J.; Long, Conor; Kelly, John M.","Direct observation by time-resolved infrared spectroscopy of the bright and the dark excited states of the [Ru(phen)2(dppz)]2+light-switch compound in solution and when bound to DNA","Chem. Sci.","2016","7","5","3075","","10.1039/C5SC04514B","","","0.71073","MoKα","","0.063","0.0455","","","0.1008","0.109","","","","","","1.053","","","","has coordinates,has disorder","217275","2020-10-21","18:00:00",""
"1542335","14.59","0.003","17.504","0.004","28.499","0.006","90","","101.456","0.003","90","","7133","3","293","2","293","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C33 H34.5 Cl2.5 Cu F6 N3 O4 P -","- C33 H34.5 Cl2.5 Cu F6 N3 O4 P -","- C264 H276 Cl20 Cu8 F48 N24 O32 P8 -","8","2","","Lewis, J. E. M.; Bordoli, R. J.; Denis, M.; Fletcher, C. J.; Galli, M.; Neal, E. A.; Rochette, E. M.; Goldup, S. M.","High yielding synthesis of 2,2′-bipyridine macrocycles, versatile intermediates in the synthesis of rotaxanes","Chem. Sci.","2016","7","5","3154","","10.1039/C6SC00011H","","","0.71073","MoKα","","0.1628","0.1095","","","0.3244","0.363","","","","","","1.267","","","","has coordinates,has disorder","217275","2020-10-21","18:00:00",""
"1542336","9.688","0.002","11.374","0.002","13.628","0.003","100.535","0.001","110.126","0.001","109.435","0.002","1252.4","0.4","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C60 H60 N4 O8 -","- C60 H60 N4 O8 -","- C60 H60 N4 O8 -","1","0.5","","Lewis, J. E. M.; Bordoli, R. J.; Denis, M.; Fletcher, C. J.; Galli, M.; Neal, E. A.; Rochette, E. M.; Goldup, S. M.","High yielding synthesis of 2,2′-bipyridine macrocycles, versatile intermediates in the synthesis of rotaxanes","Chem. Sci.","2016","7","5","3154","","10.1039/C6SC00011H","","","0.71073","MoKα","","0.0667","0.0515","","","0.1451","0.1645","","","","","","1.034","","","","has coordinates","182624","2020-10-21","18:00:00",""
"1542337","10.1938","0.0016","25.558","0.004","21.504","0.003","90","","91.243","0.002","90","","5601.2","1.5","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C61 H75 Cl2 N5 O5 -","- C61 H75 Cl2 N5 O5 -","- C244 H300 Cl8 N20 O20 -","4","1","","Lewis, J. E. M.; Bordoli, R. J.; Denis, M.; Fletcher, C. J.; Galli, M.; Neal, E. A.; Rochette, E. M.; Goldup, S. M.","High yielding synthesis of 2,2′-bipyridine macrocycles, versatile intermediates in the synthesis of rotaxanes","Chem. Sci.","2016","7","5","3154","","10.1039/C6SC00011H","","","0.71073","MoKα","","0.1553","0.084","","","0.2327","0.3066","","","","","","0.865","","","","has coordinates,has disorder","182624","2020-10-21","18:00:00",""
"1542338","21.4238","0.0013","24.3862","0.0015","32.254","0.002","78.729","0.003","76.442","0.003","69.579","0.003","15231.9","1.7","150","","150","","","","","","","","","2","P -1","-P 1","2","","","","- C414 H324 -","- C414 H324 -","- C828 H648 -","2","1","","Daniel Beaudoin; Olivier Levasseur-Grenon; Thierry Maris; James D. Wuest","Building Giant Carbocycles by Reversible C-C Bond Formation","Angew. Chem. Int. Ed.","2016","55","","894","898","","","x-ray","1.54178","CuKα","","0.1514","0.0896","","","0.2487","0.3004","","","","","","1.031","","","","has coordinates,has disorder,has Fobs","175239","2020-10-21","18:00:00",""
"1542339","40.4249","0.0014","19.5832","0.0007","34.5941","0.0012","90","","104.404","0.0018","90","","26525.6","1.6","150","","150","","","","","","","","","2","C 1 2/c 1","-C 2yc","15","","","","- C340 H338 -","- C340 H338 -","- C1360 H1352 -","4","0.5","","Daniel Beaudoin; Olivier Levasseur-Grenon; Thierry Maris; James D. Wuest","Building Giant Carbocycles by Reversible C-C Bond Formation","Angew. Chem. Int. Ed.","2016","55","","894","898","","","x-ray","1.54178","CuKα","","0.0816","0.0664","","","0.189","0.2036","","","","","","1.03","","","","has coordinates,has disorder,has Fobs","175240","2020-10-21","18:00:00",""
"1542340","19.769","0.003","20.688","0.002","21.451","0.003","99.349","0.005","97.218","0.006","114.704","0.005","7678.8","1.8","150","","150","","","","","","","","","2","P -1","-P 1","2","","","","- C388 H398 -","- C388 H398 -","- C388 H398 -","1","0.5","","Daniel Beaudoin; Olivier Levasseur-Grenon; Thierry Maris; James D. Wuest","Building Giant Carbocycles by Reversible C-C Bond Formation","Angew. Chem. Int. Ed.","2016","55","","894","898","","","x-ray","1.54178","CuKα","","0.1526","0.112","","","0.3181","0.357","","","","","","1.23","","","","has coordinates,has disorder,has Fobs","175241","2020-10-21","18:00:00",""
"1542341","12.3203","0.0009","6.9979","0.0005","19.3532","0.0013","90","","102.017","0.003","90","","1632","0.2","102","2","101.7","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C19 H16 F4 N2 -","- C19 H16 F4 N2 -","- C76 H64 F16 N8 -","4","1","","Charpentier, Julie; Früh, Natalja; Foser, Simon; Togni, Antonio","Tandem Radical Fluoroalkylation-Cyclization: Synthesis of Tetrafluoro Imidazopyridines.","Organic letters","2016","18","4","756","759","10.1021/acs.orglett.6b00018","","x-ray","0.71073","MoKα","","0.0805","0.0682","","","0.1533","0.1626","","","","","","1.154","","","","has coordinates","177432","2020-10-21","18:00:00",""
"1542342","7.1579","0.0006","12.4992","0.0009","24.3054","0.0017","90","","90","","90","","2174.6","0.3","103","2","103.2","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C10 H12 F4 N2 O -","- C10 H12 F4 N2 O -","- C80 H96 F32 N16 O8 -","8","1","","Charpentier, Julie; Früh, Natalja; Foser, Simon; Togni, Antonio","Tandem Radical Fluoroalkylation-Cyclization: Synthesis of Tetrafluoro Imidazopyridines.","Organic letters","2016","18","4","756","759","10.1021/acs.orglett.6b00018","","x-ray","0.71073","MoKα","","0.0817","0.073","","","0.1768","0.1875","","","","","","1.099","","","","has coordinates","177432","2020-10-21","18:00:00",""
"1542343","10.869","0.0018","18.902","0.003","12.575","0.002","90","","108.712","0.003","90","","2446.9","0.7","100","2","100","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C14 H10 F4 N2 -","- C14 H10 F4 N2 -","- C112 H80 F32 N16 -","8","2","","Charpentier, Julie; Früh, Natalja; Foser, Simon; Togni, Antonio","Tandem Radical Fluoroalkylation-Cyclization: Synthesis of Tetrafluoro Imidazopyridines.","Organic letters","2016","18","4","756","759","10.1021/acs.orglett.6b00018","","x-ray","0.71073","MoKα","","0.138","0.053","","","0.1239","0.1609","","","","","","0.713","","","","has coordinates","177432","2020-10-21","18:00:00",""
"1542344","20.0066","0.0009","20.0066","0.0009","5.3686","0.0003","90","","90","","90","","2148.86","0.18","106","2","106","","","","","","","","","5","P 42/n","-P 4bc","86","","","","- C10 H8 F4 N2 O2 -","- C10 H8 F4 N2 O2 -","- C80 H64 F32 N16 O16 -","8","","","Charpentier, Julie; Früh, Natalja; Foser, Simon; Togni, Antonio","Tandem Radical Fluoroalkylation-Cyclization: Synthesis of Tetrafluoro Imidazopyridines.","Organic letters","2016","18","4","756","759","10.1021/acs.orglett.6b00018","","x-ray","0.71073","MoKα","","0.065","0.0441","","","0.1144","0.1263","","","","","","1.092","","","","has coordinates","177432","2020-10-21","18:00:00",""
"1542345","28.294","0.0017","11.04","0.0007","15.2266","0.0009","90","","111.304","0.001","90","","4431.3","0.5","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C21 H26 F3 Ir N2 O4 Si -","- C21 H26 F3 Ir N2 O4 Si -","- C168 H208 F24 Ir8 N16 O32 Si8 -","8","1","","Julián, Alejandro; Jaseer, E. A.; Garcés, Karin; Fernández-Alvarez, Francisco J.; García-Orduña, Pilar; Lahoz, Fernando J.; Oro, Luis A.","Tuning the activity and selectivity of iridium-NSiN catalyzed CO2hydrosilylation processes","Catal. Sci. Technol.","2016","6","12","4410","","10.1039/C5CY02139A","","","0.71073","MoKα","","0.0803","0.0645","","","0.1113","0.1155","","","","","","1.317","","","","has coordinates","185090","2020-10-21","18:00:00",""
"1542346","14.438","0.006","15.006","0.007","16.156","0.007","104.214","0.008","92.043","0.006","94.227","0.007","3379","3","150","","150","","","","","","","","","5","P -1","-P 1","2","","","","- C151 H146 Cl6 N8 O12 -","- C151 H146 Cl6 N8 O12 -","- C151 H146 Cl6 N8 O12 -","1","0.5","","Katoono, Ryo; Kawai, Shunsuke; Suzuki, Takanori","Dynamic helical cyclophanes with two quadruply-bridged planes arranged in an “obverse and/or reverse” relation","Chem. Sci.","2016","7","5","3240","","10.1039/C5SC04673D","","","0.71075","MoKα","","","0.0794","","","","0.23","","","","","","1.269","","","","has coordinates","182616","2020-10-21","18:00:00",""
"1542347","10.2818","0.0003","13.605","0.0004","14.1948","0.0004","75.66","0.002","74.772","0.002","86.297","0.002","1856.21","0.1","180","2","180","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H23 B F3 N -","- C22 H23 B F3 N -","- C88 H92 B4 F12 N4 -","4","2","","Yuan, Kang; Suzuki, Naoya; Mellerup, Soren K.; Wang, Xiang; Yamaguchi, Shigehiro; Wang, Suning","Pyridyl Directed Catalyst-Free trans-Hydroboration of Internal Alkynes.","Organic letters","2016","18","4","720","723","10.1021/acs.orglett.5b03698","","","0.71073","MoKα","","0.1022","0.0554","","","0.12","0.1419","","","","","","1.044","","","","has coordinates,has disorder","217633","2020-10-21","18:00:00",""
"1542348","17.9223","0.0007","15.0483","0.0005","14.7492","0.0006","90","","103.949","0.003","90","","3860.6","0.3","180","2","180","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C25 H28 B Fe N -","- C25 H28 B Fe N -","- C200 H224 B8 Fe8 N8 -","8","2","","Yuan, Kang; Suzuki, Naoya; Mellerup, Soren K.; Wang, Xiang; Yamaguchi, Shigehiro; Wang, Suning","Pyridyl Directed Catalyst-Free trans-Hydroboration of Internal Alkynes.","Organic letters","2016","18","4","720","723","10.1021/acs.orglett.5b03698","","","0.71073","MoKα","","0.1103","0.0531","","","0.1165","0.1432","","","","","","0.991","","","","has coordinates","182022","2020-10-21","18:00:00",""
"1542349","8.7114","0.0003","9.6629","0.0004","10.9661","0.0005","107.461","0.002","90.795","0.002","100.807","0.002","862.52","0.06","180","2","175","2","","","","","","","","4","P -1","-P 1","2","","","","- C22 H26 B N -","- C22 H26 B N -","- C44 H52 B2 N2 -","2","1","","Yuan, Kang; Suzuki, Naoya; Mellerup, Soren K.; Wang, Xiang; Yamaguchi, Shigehiro; Wang, Suning","Pyridyl Directed Catalyst-Free trans-Hydroboration of Internal Alkynes.","Organic letters","2016","18","4","720","723","10.1021/acs.orglett.5b03698","","","0.71073","MoKα","","0.0525","0.0431","","","0.1157","0.1257","","","","","","1.035","","","","has coordinates","177440","2020-10-21","18:00:00",""
"1542350","7.5492","0.0003","15.7188","0.0008","13.8319","0.0007","90","","95.749","0.004","90","","1633.1","0.13","180","2","180","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C21 H24 B N -","- C21 H24 B N -","- C84 H96 B4 N4 -","4","1","","Yuan, Kang; Suzuki, Naoya; Mellerup, Soren K.; Wang, Xiang; Yamaguchi, Shigehiro; Wang, Suning","Pyridyl Directed Catalyst-Free trans-Hydroboration of Internal Alkynes.","Organic letters","2016","18","4","720","723","10.1021/acs.orglett.5b03698","","","0.71073","MoKα","","0.1079","0.0514","","","0.102","0.1235","","","","","","1.016","","","","has coordinates","177440","2020-10-21","18:00:00",""
"1542351","6.6373","0.0003","9.5044","0.0004","27.3003","0.0011","90","","90","","90","","1722.2","0.13","180","2","180","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C18 H28 B N Si -","- C18 H28 B N Si -","- C72 H112 B4 N4 Si4 -","4","1","","Yuan, Kang; Suzuki, Naoya; Mellerup, Soren K.; Wang, Xiang; Yamaguchi, Shigehiro; Wang, Suning","Pyridyl Directed Catalyst-Free trans-Hydroboration of Internal Alkynes.","Organic letters","2016","18","4","720","723","10.1021/acs.orglett.5b03698","","","0.71073","MoKα","","0.0394","0.0351","","","0.0802","0.0826","","","","","","1.063","","","","has coordinates","177440","2020-10-21","18:00:00",""
"1542352","11.4197","0.0002","15.8645","0.0003","16.2611","0.0004","66.72","0.001","86.95","0.001","71.548","0.001","2558.26","0.09","296","2","296","2","","","","","","","","4","P 1","P 1","1","","","","- C52 H72 N4 O19 -","- C52 H72 N4 O19 -","- C104 H144 N8 O38 -","2","2","","Widlicka, Daniel W.; Murray, John C.; Coffman, Karen J.; Xiao, Chunguang; Brodney, Michael A.; Rainville, Joseph P.; Samas, Brian","Two Routes to 4-Fluorobenzisoxazol-3-one in the Synthesis of a 5-HT4Partial Agonist","Organic Process Research & Development","2016","20","2","233","","10.1021/acs.oprd.5b00389","","","1.54178","CuKα","","0.0468","0.0442","","","0.1139","0.1168","","","","","","1.05","","","","has coordinates,has disorder","177427","2020-10-21","18:00:00",""
"1542353","17.888","0.0011","8.6252","0.0005","21.0338","0.0013","90","","111.094","0.002","90","","3027.8","0.3","100","2","100","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C28 H41 B F4 Fe N3 O P -","- C28 H41 B F4 Fe N3 O P -","- C112 H164 B4 F16 Fe4 N12 O4 P4 -","4","1","","Butschke, B.; Feller, M.; Diskin-Posner, Y.; Milstein, D.","Ketone hydrogenation catalyzed by a new iron(ii)‒PNN complex","Catal. Sci. Technol.","2016","6","12","4428","","10.1039/C5CY02036K","","","0.71073","MoKα","","0.0719","0.0414","","","0.0915","0.104","","","","","","1.004","","","","has coordinates,has disorder","185087","2020-10-21","18:00:00",""
"1542354","6.9686","0.0004","22.9724","0.0013","17.7667","0.0012","90","","96.495","0.001","90","","2825.9","0.3","173","2","173.15","","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C23 H28 Cl Co F6 N5 O3 P -","- C23 H28 Cl Co F6 N5 O3 P -","- C92 H112 Cl4 Co4 F24 N20 O12 P4 -","4","1","","Basu, Debashis; Mazumder, Shivnath; Niklas, Jens; Baydoun, Habib; Wanniarachchi, Dakshika; Shi, Xuetao; Staples, Richard J.; Poluektov, Oleg; Schlegel, H. Bernhard; Verani, Cláudio N.","Evaluation of the coordination preferences and catalytic pathways of heteroaxial cobalt oximes towards hydrogen generation","Chem. Sci.","2016","7","5","3264","","10.1039/C5SC04214C","","","0.71073","MoKα","","0.0788","0.0518","","","0.1385","0.1609","","","","","","1.043","","","","has coordinates","201208","2020-10-21","18:00:00",""
"1542355","28.715","0.004","28.715","0.004","7.0017","0.0009","90","","90","","90","","5773.3","1.4","173","2","173","2","","","","","","","","8","I -4","I -4","82","","","","- C21 H34 Cl3 Co F6 N5 O2 P -","- C20 H32 Cl Co F6 N5 O2 P -","- C160 H256 Cl8 Co8 F48 N40 O16 P8 -","8","1","","Basu, Debashis; Mazumder, Shivnath; Niklas, Jens; Baydoun, Habib; Wanniarachchi, Dakshika; Shi, Xuetao; Staples, Richard J.; Poluektov, Oleg; Schlegel, H. Bernhard; Verani, Cláudio N.","Evaluation of the coordination preferences and catalytic pathways of heteroaxial cobalt oximes towards hydrogen generation","Chem. Sci.","2016","7","5","3264","","10.1039/C5SC04214C","","x-ray","0.71073","MoKα","","0.0385","0.0355","","","0.0946","0.0964","","","","","","1.07","","","","has coordinates","182622","2020-10-21","18:00:00",""
"1542356","14.9757","0.0013","10.6987","0.0013","24.941","0.003","90","","98.286","0.008","90","","3954.3","0.8","100","2","100.1","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C20 H30 Co N5 O2 -","- C20 H30 Co N5 O2 -","- C160 H240 Co8 N40 O16 -","8","1","","Basu, Debashis; Mazumder, Shivnath; Niklas, Jens; Baydoun, Habib; Wanniarachchi, Dakshika; Shi, Xuetao; Staples, Richard J.; Poluektov, Oleg; Schlegel, H. Bernhard; Verani, Cláudio N.","Evaluation of the coordination preferences and catalytic pathways of heteroaxial cobalt oximes towards hydrogen generation","Chem. Sci.","2016","7","5","3264","","10.1039/C5SC04214C","","","0.71073","MoKα","","0.1531","0.0597","","","0.07","0.0873","","","","","","0.944","","","","has coordinates","182622","2020-10-21","18:00:00",""
"1542357","12.5242","0.0014","16.7919","0.0019","18.462","0.002","90","","91.466","0.001","90","","3881.4","0.7","173","2","173.15","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C30 H49 Co F12 N6 O3 P2 -","- C30 H49 Co F12 N6 O3 P2 -","- C120 H196 Co4 F48 N24 O12 P8 -","4","1","","Basu, Debashis; Mazumder, Shivnath; Niklas, Jens; Baydoun, Habib; Wanniarachchi, Dakshika; Shi, Xuetao; Staples, Richard J.; Poluektov, Oleg; Schlegel, H. Bernhard; Verani, Cláudio N.","Evaluation of the coordination preferences and catalytic pathways of heteroaxial cobalt oximes towards hydrogen generation","Chem. Sci.","2016","7","5","3264","","10.1039/C5SC04214C","","x-ray","0.71073","MoKα","","0.0827","0.0579","","","0.1515","0.1704","","","","","","1.054","","","","has coordinates","182622","2020-10-21","18:00:00",""
"1542358","14.6868","0.0018","15.5818","0.0014","17.997","0.002","69.889","0.003","66.513","0.002","67.869","0.002","3406.9","0.6","100","2","100","2","","","","","","","","9","P -1","-P 1","2","","","","- C62 H57 Cl2 F12 Mn N15 O3 P2 Ru2 -","- C62 H57 Cl2 F12 Mn N15 O3 P2 Ru2 -","- C124 H114 Cl4 F24 Mn2 N30 O6 P4 Ru4 -","2","1","","Mognon, Lorenzo; Mandal, Sukanta; Castillo, Carmen E.; Fortage, Jérôme; Molton, Florian; Aromí, Guillem; Benet-Buchhlolz, Jordi; Collomb, Marie-Noëlle; Llobet, Antoni","Synthesis, structure, spectroscopy and reactivity of new heterotrinuclear water oxidation catalysts","Chem. Sci.","2016","7","5","3304","","10.1039/C5SC04672F","","","0.71073","MoKα","","0.1549","0.0741","","","0.1992","0.2546","","","","","","1.019","","","","has coordinates,has disorder","182628","2020-10-21","18:00:00",""
"1542359","14.471","0.003","15.501","0.004","16.913","0.004","114.334","0.005","112.431","0.004","91.203","0.005","3122.9","1.3","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C61 H50 F12 Mn N14 O5 P2 Ru2 -","- C61 H50 F12.152 Mn N14 O5 P2 Ru2 -","- C122 H100 F24.304 Mn2 N28 O10 P4 Ru4 -","2","1","","Mognon, Lorenzo; Mandal, Sukanta; Castillo, Carmen E.; Fortage, Jérôme; Molton, Florian; Aromí, Guillem; Benet-Buchhlolz, Jordi; Collomb, Marie-Noëlle; Llobet, Antoni","Synthesis, structure, spectroscopy and reactivity of new heterotrinuclear water oxidation catalysts","Chem. Sci.","2016","7","5","3304","","10.1039/C5SC04672F","","","0.71073","MoKα","","0.1433","0.0696","","","0.1485","0.1785","","","","","","1.036","","","","has coordinates,has disorder","182628","2020-10-21","18:00:00",""
"1542360","20.3857","0.0006","5.1021","0.0001","26.5935","0.0019","90","","95.583","0.009","90","","2752.9","0.2","85","2","85","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C16.75 H13.75 N2.25 O1.5 -","- C16.75 H13.75 N2.25 O1.5 -","- C134 H110 N18 O12 -","8","1","","Li, Zi; Matzger, Adam J.","Influence of Coformer Stoichiometric Ratio on Pharmaceutical Cocrystal Dissolution: Three Cocrystals of Carbamazepine/4-Aminobenzoic Acid.","Molecular pharmaceutics","2016","13","3","990","995","10.1021/acs.molpharmaceut.5b00843","","","1.54178","CuKα","","0.1811","0.1624","","","0.4071","0.4235","","","","","","1.767","","","","has coordinates,has disorder","181440","2020-10-21","18:00:00",""
"1542361","14.4216","0.0006","5.8914","0.0003","20.5783","0.001","90","","100.344","0.004","90","","1719.99","0.14","150","0.1","150","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C23 H15 N S2 -","- C23 H15 N S2 -","- C92 H60 N4 S8 -","4","1","","Irgashev, Roman A.; Karmatsky, Arseny A.; Rusinov, Gennady L.; Charushin, Valery N.","Construction of Heteroacenes with Fused Thiophene and Pyrrole Rings via the Fischer Indolization Reaction.","Organic letters","2016","18","4","804","807","10.1021/acs.orglett.6b00081","","","0.7107","MoKα","","0.0612","0.0433","","","0.1053","0.1163","","","","","","1.007","","","","has coordinates","177436","2020-10-21","18:00:00",""
"1542362","10.4822","0.0004","5.9694","0.0002","17.3911","0.0007","90","","106.202","0.002","90","","1044.98","0.07","200","2","200","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C25 H18 Br N O4 -","- C25 H18 Br N O4 -","- C50 H36 Br2 N2 O8 -","2","1","","Möhlmann, Lennart; Chang, Geng-Hua; Madhusudhan Reddy, G.; Lee, Chia-Jui; Lin, Wenwei","Organocatalytic Enantioselective Synthesis of Tetrahydrofluoren-9-ones via Vinylogous Michael Addition/Henry Reaction Cascade of 1,3-Indandione-Derived Pronucleophiles.","Organic letters","2016","18","4","688","691","10.1021/acs.orglett.5b03663","","","0.71073","MoKα","","0.0369","0.0276","","","0.0529","0.0606","","","","","","1.031","","","","has coordinates","177439","2020-10-21","18:00:00",""
"1542363","10.763","0.006","20.038","0.011","11.832","0.007","90","","117.008","0.015","90","","2274","2","200","2","200","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C26 H20 Br N O4 -","- C26 H20 Br N O4 -","- C104 H80 Br4 N4 O16 -","4","2","","Möhlmann, Lennart; Chang, Geng-Hua; Madhusudhan Reddy, G.; Lee, Chia-Jui; Lin, Wenwei","Organocatalytic Enantioselective Synthesis of Tetrahydrofluoren-9-ones via Vinylogous Michael Addition/Henry Reaction Cascade of 1,3-Indandione-Derived Pronucleophiles.","Organic letters","2016","18","4","688","691","10.1021/acs.orglett.5b03663","","","0.71073","MoKα","","0.2085","0.101","","","0.1854","0.2293","","","","","","0.986","","","","has coordinates","177439","2020-10-21","18:00:00",""
"1542364","9.1909","0.001","11.4084","0.001","14.6334","0.0012","86.77","0.003","83.447","0.003","87.553","0.003","1520.9","0.2","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C33 H33 N O8 S -","- C33 H33 N O8 S -","- C66 H66 N2 O16 S2 -","2","1","","Möhlmann, Lennart; Chang, Geng-Hua; Madhusudhan Reddy, G.; Lee, Chia-Jui; Lin, Wenwei","Organocatalytic Enantioselective Synthesis of Tetrahydrofluoren-9-ones via Vinylogous Michael Addition/Henry Reaction Cascade of 1,3-Indandione-Derived Pronucleophiles.","Organic letters","2016","18","4","688","691","10.1021/acs.orglett.5b03663","","","0.71073","MoKα","","0.1156","0.0715","","","0.1739","0.1991","","","","","","1.042","","","","has coordinates","177439","2020-10-21","18:00:00",""
"1542365","5.7185","0.0004","11.8378","0.0011","13.7061","0.0014","79.111","0.004","86.121","0.004","80.29","0.003","897.45","0.14","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H17 F O3 S -","- C22 H17 F O3 S -","- C44 H34 F2 O6 S2 -","2","1","","Xiong, Rui; Patel, Hitisha K.; Gutgesell, Lauren M.; Zhao, Jiong; Delgado-Rivera, Loruhama; Pham, Thao N. D.; Zhao, Huiping; Carlson, Kathryn; Martin, Teresa; Katzenellenbogen, John A.; Moore, Terry W.; Tonetti, Debra A.; Thatcher, Gregory R. J.","Selective Human Estrogen Receptor Partial Agonists (ShERPAs) for Tamoxifen-Resistant Breast Cancer.","Journal of medicinal chemistry","2016","59","1","219","237","10.1021/acs.jmedchem.5b01276","","","0.71073","MoKα","","0.0339","0.0298","","","0.0756","0.0789","","","","","","1.042","","","","has coordinates","175692","2020-10-21","18:00:00",""
"1542366","7.6344","0.0003","10.5128","0.0003","15.3514","0.0006","103.182","0.003","92.237","0.003","90.962","0.003","1198.29","0.08","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H36 Cl3 P Ru -","- C22 H36 Cl3 P Ru -","- C44 H72 Cl6 P2 Ru2 -","2","1","","González-Fernández, Rebeca; González-Liste, Pedro J.; Borge, Javier; Crochet, Pascale; Cadierno, Victorio","Chlorophosphines as auxiliary ligands in ruthenium-catalyzed nitrile hydration reactions: application to the preparation of β-ketoamides","Catal. Sci. Technol.","2016","6","12","4398","","10.1039/C5CY02142A","","","1.54184","CuKα","","0.0388","0.0335","","","0.0842","0.092","","","","","","1.06","","","","has coordinates","185088","2020-10-21","18:00:00",""
"1542367","6.8231","0.0001","11.2772","0.0002","33.5183","0.0006","90","","91.031","0.001","90","","2578.66","0.08","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C24 H23 Cl2 F6 O P Ru -","- C24 H23 Cl2 F6 O P Ru -","- C96 H92 Cl8 F24 O4 P4 Ru4 -","4","1","","González-Fernández, Rebeca; González-Liste, Pedro J.; Borge, Javier; Crochet, Pascale; Cadierno, Victorio","Chlorophosphines as auxiliary ligands in ruthenium-catalyzed nitrile hydration reactions: application to the preparation of β-ketoamides","Catal. Sci. Technol.","2016","6","12","4398","","10.1039/C5CY02142A","","","1.54184","CuKα","","0.056","0.0528","","","0.1227","0.1241","","","","","","1.17","","","","has coordinates","185088","2020-10-21","18:00:00",""
"1542368","7.1803","0.0005","8.0598","0.0006","13.9214","0.001","98.659","0.006","92.733","0.006","108.798","0.007","750","0.1","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C19 H12 N2 O4 -","- C19 H12 N2 O4 -","- C38 H24 N4 O8 -","2","1","","Manjappa, Kiran B.; Syu, Jia-Ru; Yang, Ding-Yah","Visible-Light-Promoted and Yb(OTf)3-Catalyzed Constructions of Coumarin-Pyrrole-(Iso)quinoline-Fused Pentacycles: Synthesis of Lamellarin Core, Lamellarin D Trimethyl Ether, and Lamellarin H.","Organic letters","2016","18","2","332","335","10.1021/acs.orglett.5b03524","","x-ray","0.71073","MoKα","","0.068","0.0463","","","0.105","0.1178","","","","","","1.123","","","","has coordinates","175729","2020-10-21","18:00:00",""
"1542369","23.3899","0.0008","6.7857","0.0003","11.147","0.0005","90","","90","","90","","1769.22","0.13","299","2","299","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C25 H15 N O2 -","- C25 H15 N O2 -","- C100 H60 N4 O8 -","4","0.5","","Manjappa, Kiran B.; Syu, Jia-Ru; Yang, Ding-Yah","Visible-Light-Promoted and Yb(OTf)3-Catalyzed Constructions of Coumarin-Pyrrole-(Iso)quinoline-Fused Pentacycles: Synthesis of Lamellarin Core, Lamellarin D Trimethyl Ether, and Lamellarin H.","Organic letters","2016","18","2","332","335","10.1021/acs.orglett.5b03524","","x-ray","0.71073","MoKα","","0.0759","0.0612","","","0.1806","0.1989","","","","","","1.086","","","","has coordinates","175730","2020-10-21","18:00:00",""
"1542370","4.5729","0.0005","14.7748","0.0014","19.072","0.002","90","","90","","90","","1288.6","0.2","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C19 H11 N O2 -","- C19 H11 N O2 -","- C76 H44 N4 O8 -","4","1","","Manjappa, Kiran B.; Syu, Jia-Ru; Yang, Ding-Yah","Visible-Light-Promoted and Yb(OTf)3-Catalyzed Constructions of Coumarin-Pyrrole-(Iso)quinoline-Fused Pentacycles: Synthesis of Lamellarin Core, Lamellarin D Trimethyl Ether, and Lamellarin H.","Organic letters","2016","18","2","332","335","10.1021/acs.orglett.5b03524","","x-ray","0.71073","MoKα","","0.0913","0.0602","","","0.1096","0.1249","","","","","","1.015","","","","has coordinates","175731","2020-10-21","18:00:00",""
"1542371","24.07","0.002","7.6955","0.0005","22.2172","0.0019","90","","117.372","0.011","90","","3654.6","0.6","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C25.5 H16 Cl N O2 -","- C25.5 H16 Cl N O2 -","- C204 H128 Cl8 N8 O16 -","8","1","","Manjappa, Kiran B.; Syu, Jia-Ru; Yang, Ding-Yah","Visible-Light-Promoted and Yb(OTf)3-Catalyzed Constructions of Coumarin-Pyrrole-(Iso)quinoline-Fused Pentacycles: Synthesis of Lamellarin Core, Lamellarin D Trimethyl Ether, and Lamellarin H.","Organic letters","2016","18","2","332","335","10.1021/acs.orglett.5b03524","","x-ray","0.71073","MoKα","","0.0814","0.0515","","","0.1066","0.1233","","","","","","1.022","","","","has coordinates","215051","2020-10-21","18:00:00",""
"1542372","10.3444","0.0008","7.3472","0.0005","25.724","0.002","90","","97.771","0.003","90","","1937.1","0.3","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C25 H19 N3 O2 -","- C25 H19 N3 O2 -","- C100 H76 N12 O8 -","4","1","","Thikekar, Tushar Ulhas; Selvaraju, Manikandan; Sun, Chung-Ming","Skeletally Diverse Synthesis of Indole-Fused Diazocine and Diazepine Frameworks by One-Pot, Two-Component Cascade Reaction.","Organic letters","2016","18","2","316","319","10.1021/acs.orglett.5b03481","","","0.71073","MoKα","","0.101","0.0844","","","0.2737","0.2907","","","","","","1.217","","","","has coordinates","175733","2020-10-21","18:00:00",""
"1542373","10.8282","0.0006","8.7931","0.0004","19.9988","0.001","90","","90","","90","","1904.15","0.17","100","2","100","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C24 H18 N2 O3 -","- C24 H18 N2 O3 -","- C96 H72 N8 O12 -","4","1","","Thikekar, Tushar Ulhas; Selvaraju, Manikandan; Sun, Chung-Ming","Skeletally Diverse Synthesis of Indole-Fused Diazocine and Diazepine Frameworks by One-Pot, Two-Component Cascade Reaction.","Organic letters","2016","18","2","316","319","10.1021/acs.orglett.5b03481","","","0.71073","MoKα","","0.0413","0.0346","","","0.0747","0.0777","","","","","","1.022","","","","has coordinates","175734","2020-10-21","18:00:00",""
"1542374","13.9894","0.0018","9.1257","0.0012","15.099","0.002","90","","108.295","0.003","90","","1830.2","0.4","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C23 H14 Br N3 -","- C23 H14 Br N3 -","- C92 H56 Br4 N12 -","4","1","","Thikekar, Tushar Ulhas; Selvaraju, Manikandan; Sun, Chung-Ming","Skeletally Diverse Synthesis of Indole-Fused Diazocine and Diazepine Frameworks by One-Pot, Two-Component Cascade Reaction.","Organic letters","2016","18","2","316","319","10.1021/acs.orglett.5b03481","","","0.71073","MoKα","","0.0972","0.045","","","0.0948","0.1119","","","","","","1.008","","","","has coordinates","175735","2020-10-21","18:00:00",""
"1542375","19.131","0.003","6.3759","0.0009","9.3218","0.0013","90","","90.05","0.005","90","","1137","0.3","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C11 H19 N O S -","- C11 H19 N O S -","- C44 H76 N4 O4 S4 -","4","1","","Wei, Jianpeng; Li, Yiming; Jiang, Xuefeng","Aqueous Compatible Protocol to Both Alkyl and Aryl Thioamide Synthesis.","Organic letters","2016","18","2","340","343","10.1021/acs.orglett.5b03541","","","0.71073","MoKα","","0.0994","0.0505","","","0.1287","0.1673","","","","","","1.046","","","","has coordinates","175736","2020-10-21","18:00:00",""
"1542376","12.7114","0.001","7.4836","0.0006","10.6854","0.0008","90","","90","","90","","1016.47","0.14","296","2","296","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C9 H8 Br N S -","- C9 H8 Br N S -","- C36 H32 Br4 N4 S4 -","4","0.5","","Wei, Jianpeng; Li, Yiming; Jiang, Xuefeng","Aqueous Compatible Protocol to Both Alkyl and Aryl Thioamide Synthesis.","Organic letters","2016","18","2","340","343","10.1021/acs.orglett.5b03541","","","0.71073","MoKα","","0.0338","0.0265","","","0.0694","0.0732","","","","","","1.058","","","","has coordinates","175737","2020-10-21","18:00:00",""
"1542377","12.6023","0.0003","13.271","0.0004","15.6239","0.0005","90","","90","","90","","2613.02","0.13","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C28 H31 N5 O5 -","- C28 H31 N5 O5 -","- C112 H124 N20 O20 -","4","1","","Yu, Guihong; Zhou, Guoliang; Zhu, Meilin; Wang, Wei; Zhu, Tianjiao; Gu, Qianqun; Li, Dehai","Neosartoryadins A and B, Fumiquinazoline Alkaloids from a Mangrove-Derived Fungus Neosartorya udagawae HDN13-313.","Organic letters","2016","18","2","244","247","10.1021/acs.orglett.5b02964","","","1.54184","CuKα","","0.0385","0.0356","","","0.0939","0.0971","","","","","","1.04","","","","has coordinates","175738","2020-10-21","18:00:00",""
"1542378","15.0536","0.0005","11.1765","0.0004","11.8469","0.0004","90","","107.065","0.001","90","","1905.44","0.11","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C19 H18 Cl2 N2 O3 S -","- C19 H18 Cl2 N2 O3 S -","- C76 H72 Cl8 N8 O12 S4 -","4","1","","He, Qun; Wu, Liang; Kou, Xuezhen; Butt, Nicholas; Yang, Guoqiang; Zhang, Wanbin","Pd(II)-Catalyzed Asymmetric Addition of Arylboronic Acids to Isatin-Derived Ketimines.","Organic letters","2016","18","2","288","291","10.1021/acs.orglett.5b03458","","","1.54178","CuKα","","0.0335","0.0312","","","0.1133","0.1182","","","","","","1.062","","","","has coordinates","175739","2020-10-21","18:00:00",""
"1542379","9.4307","0.0005","15.3888","0.0008","35.4348","0.0018","90","","90","","90","","5142.6","0.5","150","2","150","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C25.5 H25 Cl3 N2 O3 S -","- C25.5 H25 Cl3 N2 O3 S -","- C204 H200 Cl24 N16 O24 S8 -","8","2","","He, Qun; Wu, Liang; Kou, Xuezhen; Butt, Nicholas; Yang, Guoqiang; Zhang, Wanbin","Pd(II)-Catalyzed Asymmetric Addition of Arylboronic Acids to Isatin-Derived Ketimines.","Organic letters","2016","18","2","288","291","10.1021/acs.orglett.5b03458","","","1.54178","CuKα","","0.0315","0.0314","","","0.0954","0.0956","","","","","","0.902","","","","has coordinates","214153","2020-10-21","18:00:00",""
"1542380","18.5685","0.0005","6.67667","0.00014","13.82","0.0004","90","","108.928","0.003","90","","1620.7","0.08","180","2","180","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C16 H20 O8 -","- C16 H20 O8 -","- C64 H80 O32 -","4","0.5","","Tortoreto, Cecilia; Achard, Thierry; Egger, Léo; Guénée, Laure; Lacour, Jérôme","Synthesis of Spiro Ketals, Orthoesters, and Orthocarbonates by CpRu-Catalyzed Decomposition of α-Diazo-β-ketoesters.","Organic letters","2016","18","2","240","243","10.1021/acs.orglett.5b03380","","","1.54184","CuKα","","0.0458","0.0427","","","0.1554","0.1629","","","","","","1.67","","","","has coordinates","175741","2020-10-21","18:00:00",""
"1542381","9.60173","0.00018","12.9474","0.0002","13.2032","0.0003","90","","97.478","0.002","90","","1627.43","0.05","180","2","180","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C16 H20 O8 -","- C16 H20 O8 -","- C64 H80 O32 -","4","1","","Tortoreto, Cecilia; Achard, Thierry; Egger, Léo; Guénée, Laure; Lacour, Jérôme","Synthesis of Spiro Ketals, Orthoesters, and Orthocarbonates by CpRu-Catalyzed Decomposition of α-Diazo-β-ketoesters.","Organic letters","2016","18","2","240","243","10.1021/acs.orglett.5b03380","","x-ray","1.54184","CuKα","","0.0402","0.0354","","","0.0977","0.1023","","","","","","1.04","","","","has coordinates","175741","2020-10-21","18:00:00",""
"1542382","6.8204","0.0008","13.7059","0.0015","14.4554","0.0016","72.804","0.001","87.405","0.001","88.793","0.001","1289.5","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C31 H27 N O3 Se -","- C31 H27 N O3 Se -","- C62 H54 N2 O6 Se2 -","2","1","","Tang, E.; Wang, Weilin; Zhao, Yinjiao; Zhang, Meng; Dai, Xin","Catalytic and Atom-Economic Intermolecular Amidoselenenylation of Alkenes.","Organic letters","2016","18","2","176","179","10.1021/acs.orglett.5b03157","","","0.71073","MoKα","","0.0645","0.0398","","","0.0776","0.0868","","","","","","1.047","","","","has coordinates","175742","2020-10-21","18:00:00",""
"1542383","10.3434","0.0004","17.047","0.0008","30.5673","0.0013","90","","90","","90","","5389.7","0.4","100.9","","100.9","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C62 H71 Cl3 O8 -","- C62 H71 Cl3 O8 -","- C248 H284 Cl12 O32 -","4","1","","Li, Chuang-Jun; Ma, Jie; Sun, Hua; Zhang, Dan; Zhang, Dong-Ming","Guajavadimer A, a Dimeric Caryophyllene-Derived Meroterpenoid with a New Carbon Skeleton from the Leaves of Psidium guajava.","Organic letters","2016","18","2","168","171","10.1021/acs.orglett.5b03117","","","1.54184","CuKα","","0.0512","0.048","","","0.1283","0.1314","","","","","","1.036","","","","has coordinates","175743","2020-10-21","18:00:00",""
"1542384","9.7832","0.0007","24.3518","0.0014","27.7523","0.0019","90","","90","","90","","6611.7","0.8","173","2","173","2","","","","","","","","3","P 1 1 21","P 2c","4","","","","- C35 H46 O6 -","- C35 H46 O6 -","- C280 H368 O48 -","8","4","","Cao, Jia-Qing; Huang, Xiao-Jun; Li, Yu-Ting; Wang, Ying; Wang, Lei; Jiang, Ren-Wang; Ye, Wen-Cai","Callistrilones A and B, Triketone-Phloroglucinol-Monoterpene Hybrids with a New Skeleton from Callistemon rigidus.","Organic letters","2016","18","1","120","123","10.1021/acs.orglett.5b03360","","","1.54184","CuKα","","0.0835","0.0671","","","0.1606","0.1761","","","","","","1.035","","","","has coordinates","175744","2020-10-21","18:00:00",""
"1542385","6.4131","0.0002","14.8983","0.0007","32.7256","0.0014","90","","90","","90","","3126.7","0.2","173","2","173","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C34 H44 O7 -","- C34 H44 O7 -","- C136 H176 O28 -","4","1","","Cao, Jia-Qing; Huang, Xiao-Jun; Li, Yu-Ting; Wang, Ying; Wang, Lei; Jiang, Ren-Wang; Ye, Wen-Cai","Callistrilones A and B, Triketone-Phloroglucinol-Monoterpene Hybrids with a New Skeleton from Callistemon rigidus.","Organic letters","2016","18","1","120","123","10.1021/acs.orglett.5b03360","","","1.54184","CuKα","","0.0628","0.0585","","","0.15","0.1624","","","","","","1.124","","","","has coordinates","175745","2020-10-21","18:00:00",""
"1542386","8.8562","0.0002","9.9924","0.0003","11.4351","0.0003","90","","105.077","0.003","90","","977.11","0.05","173","2","173","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C21 H28 O4 -","- C21 H28 O4 -","- C42 H56 O8 -","2","1","","Cao, Jia-Qing; Huang, Xiao-Jun; Li, Yu-Ting; Wang, Ying; Wang, Lei; Jiang, Ren-Wang; Ye, Wen-Cai","Callistrilones A and B, Triketone-Phloroglucinol-Monoterpene Hybrids with a New Skeleton from Callistemon rigidus.","Organic letters","2016","18","1","120","123","10.1021/acs.orglett.5b03360","","","1.54184","CuKα","","0.0367","0.0355","","","0.0973","0.0991","","","","","","1.079","","","","has coordinates","175746","2020-10-21","18:00:00",""
"1542387","14.614","0.003","12.706","0.003","13.842","0.003","90","","90","","90","","2570.3","1","296","2","296","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C10 H16 N4 O5 -","- C10 H13 N4 O5 -","- C80 H104 N32 O40 -","8","1","","Zheng, Jing; Qi, Jifeng; Cui, Sunliang","Fe-Catalyzed Olefin Hydroamination with Diazo Compounds for Hydrazone Synthesis.","Organic letters","2016","18","1","128","131","10.1021/acs.orglett.5b03317","","","0.71073","MoKα","","0.0953","0.078","","","0.2131","0.2419","","","","","","1.05","","","","has coordinates,has disorder","175747","2020-10-21","18:00:00",""
"1542388","22.2134","0.0018","5.773","0.0005","19.6734","0.0016","90","","115.56","0.0014","90","","2276","0.3","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C12 H14 N2 O2 -","- C12 H11 N2 O2 -","- C96 H88 N16 O16 -","8","2","","Zheng, Jing; Qi, Jifeng; Cui, Sunliang","Fe-Catalyzed Olefin Hydroamination with Diazo Compounds for Hydrazone Synthesis.","Organic letters","2016","18","1","128","131","10.1021/acs.orglett.5b03317","","","0.71073","MoKα","","0.0993","0.082","","","0.2294","0.2466","","","","","","1.072","","","","has coordinates,has disorder","217633","2020-10-21","18:00:00",""
"1542389","9.829","0.002","17.878","0.004","11.147","0.002","90","","102.8","0.004","90","","1910.1","0.7","296","2","296","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C27 H21 N -","- C27 H21 N -","- C108 H84 N4 -","4","1","","Xiang, Jia-Chen; Wang, Miao; Cheng, Yan; Wu, An-Xin","Molecular Iodine-Mediated Chemoselective Synthesis of Multisubstituted Pyridines through Catabolism and Reconstruction Behavior of Natural Amino Acids.","Organic letters","2016","18","1","24","27","10.1021/acs.orglett.5b03037","","","0.71073","MoKα","","0.113","0.0498","","","0.1253","0.1671","","","","","","1.039","","","","has coordinates","175749","2020-10-21","18:00:00",""
"1542390","9.4429","0.0012","7.8615","0.001","37.294","0.005","90","","97.23","0.002","90","","2746.5","0.6","298","2","298","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C29 H38 O13 -","- C29 H32 O13 -","- C116 H128 O52 -","4","2","","Shi, Yi-Ming; Cai, Song-Liang; Li, Xiao-Nian; Liu, Miao; Shang, Shan-Zhai; Du, Xue; Xiao, Wei-Lie; Pu, Jian-Xin; Sun, Han-Dong","LC-UV-Guided Isolation and Structure Determination of Lancolide E: A Nortriterpenoid with a Tetracyclo[5.4.0.0(2,4).0(3,7)]undecane-Bridged System from a ""Talented"" Schisandra Plant.","Organic letters","2016","18","1","100","103","10.1021/acs.orglett.5b03334","","","0.71073","MoKα","","0.1427","0.1414","","","0.346","0.3474","","","","","","1.075","","","","has coordinates","175750","2020-10-21","18:00:00",""
"1542391","21.3292","0.0008","8.2239","0.0003","18.2075","0.0007","90","","91.151","0.002","90","","3193.1","0.2","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H17 N O5 -","- C18 H17 N O5 -","- C144 H136 N8 O40 -","8","2","","Dateer, Ramesh B.; Chang, Sukbok","Rh(III)-Catalyzed C-H Cyclization of Arylnitrones with Diazo Compounds: Access to N-Hydroxyindolines.","Organic letters","2016","18","1","68","71","10.1021/acs.orglett.5b03273","","","0.71073","MoKα","","0.0619","0.0487","","","0.1253","0.1421","","","","","","1.083","","","","has coordinates","175751","2020-10-21","18:00:00",""
"1542392","8.6285","0.0008","12.7114","0.0012","16.784","0.0017","90","","101.358","0.004","90","","1804.8","0.3","223","2","223","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H17 N O5 S -","- C20 H17 N O5 S -","- C80 H68 N4 O20 S4 -","4","1","","Dateer, Ramesh B.; Chang, Sukbok","Rh(III)-Catalyzed C-H Cyclization of Arylnitrones with Diazo Compounds: Access to N-Hydroxyindolines.","Organic letters","2016","18","1","68","71","10.1021/acs.orglett.5b03273","","","0.71073","MoKα","","0.0512","0.0364","","","0.0867","0.0943","","","","","","1.03","","","","has coordinates","175752","2020-10-21","18:00:00",""
"1542393","5.575","0.0004","7.9619","0.0005","23.2886","0.0015","90","","90.492","0.003","90","","1033.69","0.12","100","","100","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C20 H22 Br O7 P -","- C20 H22 Br O7 P -","- C40 H44 Br2 O14 P2 -","2","1","","Horwitz, Matthew A.; Zavesky, Blane P.; Martinez-Alvarado, Jesus I; Johnson, Jeffrey S.","Asymmetric Organocatalytic Reductive Coupling Reactions between Benzylidene Pyruvates and Aldehydes.","Organic letters","2016","18","1","36","39","10.1021/acs.orglett.5b03127","","","1.54178","CuKα","","0.0426","0.0405","","","0.0942","0.0951","","","","","","1.13","","","","has coordinates","175753","2020-10-21","18:00:00",""
"1542394","6.2177","0.0003","16.6885","0.0007","41.8862","0.0015","90","","90","","90","","4346.3","0.3","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","CI-759.F1","","","- C22 H27 N3 O S -","- C22 H27 N3 O S -","- C176 H216 N24 O8 S8 -","8","2","","Izquierdo, Cristina; Esteban, Francisco; Ruano, José Luis García; Fraile, Alberto; Alemán, José","Asymmetric Synthesis of 1,2-Diamines bearing Tetrasubstituted Centers from Nonstabilized Azomethine Ylides and N-Sulfinylketimines under Brønsted Acid Catalysis.","Organic letters","2016","18","1","92","95","10.1021/acs.orglett.5b03251","","","0.71073","","","0.073","0.0453","","","0.1148","0.1379","","","","","","1.068","","","","has coordinates","175754","2020-10-21","18:00:00",""
"1542395","6.1444","0.0001","12.3333","0.0002","26.7768","0.0004","90","","90","","90","","2029.17","0.06","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","FE0818","","","- C21 H25 N3 O S -","- C21 H25 N3 O S -","- C84 H100 N12 O4 S4 -","4","1","","Izquierdo, Cristina; Esteban, Francisco; Ruano, José Luis García; Fraile, Alberto; Alemán, José","Asymmetric Synthesis of 1,2-Diamines bearing Tetrasubstituted Centers from Nonstabilized Azomethine Ylides and N-Sulfinylketimines under Brønsted Acid Catalysis.","Organic letters","2016","18","1","92","95","10.1021/acs.orglett.5b03251","","","0.71073","","","0.0405","0.0315","","","0.0931","0.1147","","","","","","1.119","","","","has coordinates","175755","2020-10-21","18:00:00",""
"1542396","8.233","0.003","5.5792","0.0018","34.637","0.011","90","","90","","90","","1591","0.9","296","2","296","2","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- C21 H16 O3 -","- C21 H16 O3 -","- C84 H64 O12 -","4","1","","Laha, Radha M.; Khamarui, Saikat; Manna, Saikat K.; Maiti, Dilip K.","In Situ Generated Ag(II)-Catalyzed Selective Oxo-Esterification of Alkyne with Alcohol to α-Ketoester: Photophysical Study.","Organic letters","2016","18","1","144","147","10.1021/acs.orglett.5b03484","","","0.71073","MoKα","","0.0532","0.0511","","","0.1424","0.1439","","","","","","1.087","","","","has coordinates","175756","2020-10-21","18:00:00",""
"1542397","13.9192","0.0008","13.7516","0.0007","21.5005","0.0012","90","","103.466","0.001","90","","4002.3","0.4","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C44 H30 N8 O12 Zn -","- C44 H30 N8 O12 Zn -","- C176 H120 N32 O48 Zn4 -","4","1","","Lephoto, Mapudumo; Nakano, Koji; Appavoo, Divambal; Owaga, Bernard; Nozaki, Kyoko; Darkwa, James","Pyrazole Supported Zinc(II) Benzoates as Catalysts for the Ring Opening Copolymerization of Cyclohexene Oxide and Carbon Dioxide","Catalysts","2016","6","1","17","","10.3390/catal6010017","","","0.71073","MoKα","","0.0656","0.0402","","","0.0838","0.0947","","","","","","1.03","","","","has coordinates","175829","2020-10-21","18:00:00",""
"1542398","16.436","0.004","18.645","0.005","19.723","0.005","90","","90","","90","","6044","3","140","1","140","1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C32 H47 Br O U -","- C32 H47 Br O U -","- C256 H376 Br8 O8 U8 -","8","2","","Lichtscheidl, Alejandro; Pagano, Justin; Scott, Brian; Nelson, Andrew; Kiplinger, Jaqueline","Expanding the Chemistry of Actinide Metallocene Bromides. Synthesis, Properties and Molecular Structures of the Tetravalent and Trivalent Uranium Bromide Complexes: (C5Me4R)2UBr2, (C5Me4R)2U(O-2,6-iPr2C6H3)(Br), and [K(THF)][(C5Me4R)2UBr2] (R = Me, Et)","Inorganics","2016","4","1","1","","10.3390/inorganics4010001","","","0.71073","MoKα","","0.0705","0.0416","","","0.0865","0.1004","","","","","","0.991","","","","has coordinates","175830","2020-10-21","18:00:00",""
"1542399","14.9546","0.0012","17.323","0.002","8.194","0.0007","90","","90","","90","","2122.7","0.3","100","1","100","1","","","","","","","","4","F m m 2","F 2 -2","42","","","","- C20 H30 Br2 U -","- C20 H30 Br2 U -","- C80 H120 Br8 U4 -","4","0.25","","Lichtscheidl, Alejandro; Pagano, Justin; Scott, Brian; Nelson, Andrew; Kiplinger, Jaqueline","Expanding the Chemistry of Actinide Metallocene Bromides. Synthesis, Properties and Molecular Structures of the Tetravalent and Trivalent Uranium Bromide Complexes: (C5Me4R)2UBr2, (C5Me4R)2U(O-2,6-iPr2C6H3)(Br), and [K(THF)][(C5Me4R)2UBr2] (R = Me, Et)","Inorganics","2016","4","1","1","","10.3390/inorganics4010001","","","0.71073","MoKα","","0.0193","0.018","","","0.0498","0.066","","","","","","1.27","","","","has coordinates","175831","2020-10-21","18:00:00",""
"1542400","11.0688","0.0009","29.295","0.003","8.7573","0.0007","90","","102.609","0.001","90","","2771.2","0.4","100","1","100","1","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C24 H38 Br2 K O U -","- C24 H38 Br2 K O U -","- C96 H152 Br8 K4 O4 U4 -","4","1","","Lichtscheidl, Alejandro; Pagano, Justin; Scott, Brian; Nelson, Andrew; Kiplinger, Jaqueline","Expanding the Chemistry of Actinide Metallocene Bromides. Synthesis, Properties and Molecular Structures of the Tetravalent and Trivalent Uranium Bromide Complexes: (C5Me4R)2UBr2, (C5Me4R)2U(O-2,6-iPr2C6H3)(Br), and [K(THF)][(C5Me4R)2UBr2] (R = Me, Et)","Inorganics","2016","4","1","1","","10.3390/inorganics4010001","","","0.71073","MoKα","","0.0535","0.0483","","","0.1229","0.1308","","","","","","1.152","","","","has coordinates","175833","2020-10-21","18:00:00",""
"1542401","8.2013","0.0007","18.6785","0.0017","8.4618","0.0008","90","","118.833","0.001","90","","1135.55","0.18","100","1","100","1","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","","","- C22 H34 Br2 U -","- C22 H34 Br2 U -","- C44 H68 Br4 U2 -","2","0.5","","Lichtscheidl, Alejandro; Pagano, Justin; Scott, Brian; Nelson, Andrew; Kiplinger, Jaqueline","Expanding the Chemistry of Actinide Metallocene Bromides. Synthesis, Properties and Molecular Structures of the Tetravalent and Trivalent Uranium Bromide Complexes: (C5Me4R)2UBr2, (C5Me4R)2U(O-2,6-iPr2C6H3)(Br), and [K(THF)][(C5Me4R)2UBr2] (R = Me, Et)","Inorganics","2016","4","1","1","","10.3390/inorganics4010001","","","0.71073","MoKα","","0.029","0.0252","","","0.0663","0.0741","","","","","","1.361","","","","has coordinates","175834","2020-10-21","18:00:00",""
"1542402","8.178","0.002","28.223","0.006","42.452","0.005","90","","93.55","0.02","90","","9779","3","293","2","293","2","","","","","","","Tavagnasco mine, Italy","8","P 1 21/n 1","-P 2yn","14","","","ciriottiite","- Ag1.6 As25.48 Bi2.39 Cu10.93 Hg1.88 Pb75.54 S224 Sb69.38 -","- Ag1.6 As25.48 Bi2.388 Cu10.932 Hg1.88 Pb75.544 S224 Sb69.376 -","- Ag1.6 As25.48 Bi2.388 Cu10.932 Hg1.88 Pb75.544 S224 Sb69.376 -","1","0.25","","Bindi, Luca; Biagioni, Cristian; Martini, Bruno; Salvetti, Adrio","Ciriottiite, Cu(Cu,Ag)3Pb19(Sb,As)22(As2)S56, the Cu-Analogue of Sterryite from the Tavagnasco Mining District, Piedmont, Italy","Minerals","2016","6","1","8","","10.3390/min6010008","","","0.71073","MoKα","","0.1194","0.1176","","","0.3182","0.3187","","","","","","1.159","","","","has coordinates","175835","2020-10-21","18:00:00",""
"1542403","5.9591","0.0012","9.2931","0.0019","55.53","0.011","90","","90","","90","","3075.2","1.1","296","2","296","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C31 H28 Cl N5 O6 S2 -","- C31 H28 Cl N5 O6 S2 -","- C124 H112 Cl4 N20 O24 S8 -","4","1","","Zhang, Dan-Jie; Xie, Ming-Sheng; Qu, Gui-Rong; Gao, Yao-Wei; Guo, Hai-Ming","Synthesis of Azacyclic Nucleoside Analogues via Asymmetric [3 + 2] Cycloaddition of 9-(2-Tosylvinyl)-9H-purines.","Organic letters","2016","18","4","820","823","10.1021/acs.orglett.6b00108","","","0.71073","MoKα","","0.0619","0.0446","","","0.0882","0.0954","","","","","","1.044","","","","has coordinates","177435","2020-10-21","18:00:00",""
"1542404","7.5973","0.0006","8.106","0.0006","12.4901","0.0012","89.576","0.003","86.095","0.002","69.787","0.002","720.03","0.1","273","2","273","2","","","","","","","","5","P -1","-P 1","2","","","","- C12 H18 Cu N O6 -","- C12 H18 Cu N O6 -","- C24 H36 Cu2 N2 O12 -","2","1","","Fernandes, Tiago A.; Santos, Carla I. M.; André, Vânia; Dias, Sara S. P.; Kirillova, Marina V.; Kirillov, Alexander M.","New aqua-soluble dicopper(ii) aminoalcoholate cores for mild and water-assisted catalytic oxidation of alkanes","Catal. Sci. Technol.","2016","6","12","4584","","10.1039/C5CY02084K","","","0.71069","MoKα","","0.0394","0.0316","","","0.0762","0.0786","","","","","","1.098","","","","has coordinates","185089","2020-10-21","18:00:00",""
"1542405","9.2907","0.0005","13.3305","0.0006","15.2281","0.0007","90","","107.358","0.002","90","","1800.11","0.15","273","2","273","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H27 Cu N2 O9 -","- C14 H27 Cu N2 O9 -","- C56 H108 Cu4 N8 O36 -","4","1","","Fernandes, Tiago A.; Santos, Carla I. M.; André, Vânia; Dias, Sara S. P.; Kirillova, Marina V.; Kirillov, Alexander M.","New aqua-soluble dicopper(ii) aminoalcoholate cores for mild and water-assisted catalytic oxidation of alkanes","Catal. Sci. Technol.","2016","6","12","4584","","10.1039/C5CY02084K","","","0.71069","MoKα","","0.0719","0.0524","","","0.1452","0.1587","","","","","","1.049","","","","has coordinates","185089","2020-10-21","18:00:00",""
"1542406","19.1242","0.0017","16.7581","0.0014","18.8909","0.0019","90","","90","","90","","6054.3","1","90","2","90","2","","","","","","","","7","P n m a","-P 2ac 2n","62","","","","- C62 H80 N2 O2 P2 Si2 Th -","- C62 H80 N2 O2 P2 Si2 Th -","- C248 H320 N8 O8 P8 Si8 Th4 -","4","0.5","","Gregson, Matthew; Lu, Erli; Tuna, Floriana; McInnes, Eric J. L.; Hennig, Christoph; Scheinost, Andreas C.; McMaster, Jonathan; Lewis, William; Blake, Alexander J.; Kerridge, Andrew; Liddle, Stephen T.","Emergence of comparable covalency in isostructural cerium(iv)‒ and uranium(iv)‒carbon multiple bonds","Chem. Sci.","2016","7","5","3286","","10.1039/C6SC00278A","","","0.71073","MoKα","","0.066","0.0387","","","0.0761","0.085","","","","","","1.095","","","","has coordinates,has disorder","182630","2020-10-21","18:00:00",""
"1542407","18.4956","0.0002","16.94471","0.00014","18.98054","0.00016","90","","90","","90","","5948.55","0.1","90","2","90","2","","","","","","","","7","P n m a","-P 2ac 2n","62","","","","- C59 H82 N2 O3 P2 Si2 U -","- C59 H82 N2 O3 P2 Si2 U -","- C236 H328 N8 O12 P8 Si8 U4 -","4","0.5","","Gregson, Matthew; Lu, Erli; Tuna, Floriana; McInnes, Eric J. L.; Hennig, Christoph; Scheinost, Andreas C.; McMaster, Jonathan; Lewis, William; Blake, Alexander J.; Kerridge, Andrew; Liddle, Stephen T.","Emergence of comparable covalency in isostructural cerium(iv)‒ and uranium(iv)‒carbon multiple bonds","Chem. Sci.","2016","7","5","3286","","10.1039/C6SC00278A","","","1.54184","CuKα","","0.0221","0.022","","","0.0585","0.0586","","","","","","1.12","","","","has coordinates,has disorder","182630","2020-10-21","18:00:00",""
"1542408","7.47301","0.0001","12.0802","0.00015","15.6344","0.0002","90","","90","","90","","1411.4","0.03","100","","100.02","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","4-methoxyphenyl 1,3-dihydro-2-benzofuran-1-ylacetate","","- C17 H16 O4 -","- C17 H16 O4 -","- C68 H64 O16 -","4","1","","Weldy, N. Mace; Schafer, A. G.; Owens, C. P.; Herting, C. J.; Varela-Alvarez, A.; Chen, S.; Niemeyer, Z.; Musaev, D. G.; Sigman, M. S.; Davies, H. M. L.; Blakey, S. B.","Iridium(iii)-bis(imidazolinyl)phenyl catalysts for enantioselective C‒H functionalization with ethyl diazoacetate","Chem. Sci.","2016","7","5","3142","","10.1039/C6SC00190D","","x-ray","1.54178","CuKα","","0.0273","0.027","","","0.0668","0.067","","","","","","1.101","","","","has coordinates","182626","2020-10-21","18:00:00",""
"1542409","16.4147","0.0015","4.7888","0.0006","14.7033","0.0014","90","","109.132","0.01","90","","1091.9","0.2","223","2","223","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C13 H7 F3 N2 O -","- C13 H7 F3 N2 O -","- C52 H28 F12 N8 O4 -","4","1","","Liu, Meilin; Shu, Miaomiao; Yao, Chaochao; Yin, Guodong; Wang, Dunjia; Huang, Jinkun","Synthesis of Pyrido-Fused Quinazolinone Derivatives via Copper-Catalyzed Domino Reaction.","Organic letters","2016","18","4","824","827","10.1021/acs.orglett.6b00113","","","0.71073","MoKα","","0.0591","0.0415","","","0.1302","0.1458","","","","","","0.959","","","","has coordinates","177438","2020-10-21","18:00:00",""
"1542410","8.0698","0.0009","6.5112","0.0007","35.008","0.004","90","","92.98","0.002","90","","1837","0.4","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","Methyl 4-(4-nitrobenzoyloxy)biphenyl-2-carboxylate","","- C21 H15 N O6 -","- C21 H15 N O6 -","- C84 H60 N4 O24 -","4","2","","Joshi, Prabhakar Ramchandra; Nanubolu, Jagadeesh Babu; Menon, Rajeev S.","Oxygenative and Dehydrogenative [3 + 3] Benzannulation Reactions of α,β-Unsaturated Aldehydes and γ-Phosphonyl Crotonates Mediated by Air: Regioselective Synthesis of 4-Hydroxybiaryl-2-carboxylates.","Organic letters","2016","18","4","752","755","10.1021/acs.orglett.6b00016","","","0.71073","MoKα","","0.0747","0.0678","","","0.1396","0.1427","","","","","","1.237","","","","has coordinates","177437","2020-10-21","18:00:00",""
"1542411","10.4012","0.0003","6.5192","0.0002","12.5869","0.0003","90","","94.667","0.002","90","","850.66","0.04","130","","130","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C21 H28 O2 -","- C21 H28 O2 -","- C42 H56 O4 -","2","1","","Jiao, Wei-Hua; Shi, Guo-Hua; Xu, Ting-Ting; Chen, Guo-Dong; Gu, Bin-Bin; Wang, Zhuo; Peng, Shuang; Wang, Shu-Ping; Li, Jia; Han, Bing-Nan; Zhang, Wei; Lin, Hou-Wen","Dysiherbols A-C and Dysideanone E, Cytotoxic and NF-κB Inhibitory Tetracyclic Meroterpenes from a Dysidea sp. Marine Sponge.","Journal of natural products","2016","79","2","406","411","10.1021/acs.jnatprod.5b01079","","","1.54178","CuKα","","0.0467","0.0441","","","0.1295","0.1378","","","","","","1.085","","","","has coordinates","177413","2020-10-21","18:00:00",""
"1542412","10.6146","0.0008","13.7299","0.0011","16.5455","0.0014","90","","90","","90","","2411.3","0.3","296","2","296","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C32 H25 N2 -","- C32 H25 N2 -","- C128 H100 N8 -","4","1","","Han, Ya-Ping; Song, Xian-Rong; Qiu, Yi-Feng; Zhang, Heng-Rui; Li, Lian-Hua; Jin, Dong-Po; Sun, Xiao-Qing; Liu, Xue-Yuan; Liang, Yong-Min","Lewis Acid Catalyzed [4 + 3] Cycloaddition of Propargylic Alcohols with Azides.","Organic letters","2016","18","5","940","","10.1021/acs.orglett.5b03657","","","0.71073","MoKα","","0.065","0.0445","","","0.106","0.1188","","","","","","1.002","","","","has coordinates","177449","2020-10-21","18:00:00",""
"1542413","30.17","0.02","6.495","0.004","13.388","0.008","90","","92.76","0.012","90","","2620","3","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C26 H44 O2 Si2 -","- C26 H44 O2 Si2 -","- C104 H176 O8 Si8 -","4","0.5","","Lim, Hee Nam; Dong, Guangbin","Catalytic Cage Formation via Controlled Dimerization of Norbornadienes: An Entry to Functionalized HCTDs (Heptacyclo[6.6.0.0(2,6).0(3,13).0(4,11).0(5,9).0(10,14)]tetradecanes).","Organic letters","2016","18","5","1104","","10.1021/acs.orglett.6b00207","","","0.71075","MoKα","","0.0538","0.0419","","","0.1156","0.1299","","","","","","1.011","","","","has coordinates","177458","2020-10-21","18:00:00",""
"1542414","15.6222","0.0005","8.3147","0.0002","19.4923","0.0006","90","","111.898","0.004","90","","2349.25","0.14","100","2","100","2","","","","","","","","2","P 1 21/n 1","-P 2yn","14","","","","- C32 H36 -","- C32 H36 -","- C128 H144 -","4","1","","Lim, Hee Nam; Dong, Guangbin","Catalytic Cage Formation via Controlled Dimerization of Norbornadienes: An Entry to Functionalized HCTDs (Heptacyclo[6.6.0.0(2,6).0(3,13).0(4,11).0(5,9).0(10,14)]tetradecanes).","Organic letters","2016","18","5","1104","","10.1021/acs.orglett.6b00207","","","1.54184","CuKα","","0.0638","0.0533","","","0.1299","0.1357","","","","","","1.074","","","","has coordinates,has disorder","177458","2020-10-21","18:00:00",""
"1542415","14.1412","0.0004","9.6921","0.0003","13.6154","0.0004","90","","93.23","0.001","90","","1863.13","0.1","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C19 H19 Br2 Fe N3 Ni -","- C19 H17 Br2 Fe N3 Ni -","- C76 H68 Br8 Fe4 N12 Ni4 -","4","1","","Obuah, Collins; Jordaan, Johan H. L.; Darkwa, James","(Ferrocenylpyrazolyl)nickel(ii)-catalysed ethylene oligomerisation","Catal. Sci. Technol.","2016","6","13","4814","","10.1039/C5CY02055G","","","1.54178","CuKα","","0.0214","0.0208","","","0.0535","0.054","","","","","","1.059","","","","has coordinates","185081","2020-10-21","18:00:00",""
"1542416","14.2482","0.0003","9.8031","0.0002","14.1378","0.0003","90","","96.793","0.001","90","","1960.86","0.07","100","2","100.03","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C20 H19 Br2 Fe N3 Ni -","- C20 H19 Br2 Fe N3 Ni -","- C80 H76 Br8 Fe4 N12 Ni4 -","4","1","","Obuah, Collins; Jordaan, Johan H. L.; Darkwa, James","(Ferrocenylpyrazolyl)nickel(ii)-catalysed ethylene oligomerisation","Catal. Sci. Technol.","2016","6","13","4814","","10.1039/C5CY02055G","","","1.54178","CuKα","","0.051","0.0502","","","0.1279","0.129","","","","","","1.101","","","","has coordinates","185081","2020-10-21","18:00:00",""
"1542417","19.9909","0.0006","37.6313","0.0011","11.8656","0.0004","90","","93.9256","0.0014","90","","8905.4","0.5","100","","100","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","[Cu(t-butylPyridine)4(triflate)2]","","","- C38 H52.2 Cu F6 N4 O6.1 S2 -","- C38 H52.197 Cu F6 N4 O6.0985 S2 -","- C304 H417.576 Cu8 F48 N32 O48.788 S16 -","8","2","","Hoffeditz, William L.; Katz, Michael J.; Deria, Pravas; Cutsail III, George E.; Pellin, Michael J.; Farha, Omar K.; Hupp, Joseph T.","One Electron Changes Everything. A Multispecies Copper Redox Shuttle for Dye-Sensitized Solar Cells","The Journal of Physical Chemistry C","2016","120","7","3731","","10.1021/acs.jpcc.6b01020","","","0.71073","MoKα","","0.1616","0.0833","","0.2319","0.1792","0.1722","","","","","","1.0025","","","","has coordinates,has disorder","177423","2020-10-21","18:00:00",""
"1542418","7.0784","0.0006","8.053","0.0006","38.854","0.003","90","","91.395","0.006","90","","2214.1","0.3","90","0.5","90","0.5","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H33 N O2 Si -","- C24 H33 N O2 Si -","- C96 H132 N4 O8 Si4 -","4","1","","Ayala, Caitlan E.; Dange, Nitin S.; Stepherson, Jacob R.; Henry, Jeffrey L.; Fronczek, Frank R.; Kartika, Rendy","Functionalization of Silyldienol Ethers at the γ-Position via 2-Silyloxypentadienyl Cations.","Organic letters","2016","18","5","1084","","10.1021/acs.orglett.6b00196","","","1.54184","CuKα","","0.1468","0.0874","","","0.2411","0.2676","","","","","","1.09","","","","has coordinates,has disorder","177451","2020-10-21","18:00:00",""
"1542419","17.0398","0.0008","9.1263","0.0004","15.8008","0.0009","90","","112.88","0.002","90","","2263.9","0.2","90","0.5","90","0.5","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H35 N O2 Si -","- C24 H35 N O2 Si -","- C96 H140 N4 O8 Si4 -","4","1","","Ayala, Caitlan E.; Dange, Nitin S.; Stepherson, Jacob R.; Henry, Jeffrey L.; Fronczek, Frank R.; Kartika, Rendy","Functionalization of Silyldienol Ethers at the γ-Position via 2-Silyloxypentadienyl Cations.","Organic letters","2016","18","5","1084","","10.1021/acs.orglett.6b00196","","","0.71073","MoKα","","0.1314","0.0861","","","0.2374","0.2894","","","","","","1.14","","","","has coordinates","177451","2020-10-21","18:00:00",""
"1542420","9.465","0.005","9.827","0.005","14.255","0.005","98.362","0.005","100.338","0.005","113.651","0.005","1159.5","0.9","296","2","296","2","","","","","","","","3","P -1","-P 1","2","3-(4-(diphenylmethylene)cyclopent-2-en-1-yl)-2-phenyl-1H-indole","","","- C32 H25 N -","- C32 H25 N -","- C64 H50 N2 -","2","1","","Chand, S. Sarath; Gopalan, Greeshma; Santhini, P. V.; Preethanuj, P.; John, Jubi; Harakat, Dominique; Jaroschik, Florian; Radhakrishnan, K. V.","Lewis Acid Catalyzed Regioselective Hydroheteroarylation of Pentafulvenes.","Organic letters","2016","18","5","964","","10.1021/acs.orglett.6b00047","","","0.71073","MoKα","","0.0537","0.0397","","","0.1173","0.1399","","","","","","1.153","","","","has coordinates","177453","2020-10-21","18:00:00",""
"1542421","15.1361","0.0003","14.6365","0.0003","22.0466","0.0004","90","","98.281","0.002","90","","4833.27","0.17","100","0.4","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C64 H42 N12 -","- C64 H42 N12 -","- C256 H168 N48 -","4","1","","Zissimou, Georgia A.; Constantinides, Christos P.; Manoli, Maria; Pieridou, Galatia K.; Hayes, Sophia C.; Koutentis, Panayiotis A.","Oxidation of Tetraphenylhexaazaanthracene: Accessing a Scissor Dimer of a 16π Biscyanine.","Organic letters","2016","18","5","1116","","10.1021/acs.orglett.6b00222","","","1.54184","CuKα","","0.045","0.0396","","","0.1087","0.1129","","","","","","1.054","","","","has coordinates","177455","2020-10-21","18:00:00",""
"1542422","11.854","0.006","6.07","0.003","12.641","0.006","90","","104.097","0.006","90","","882.2","0.8","100","2","100","1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C18 H25 N3 Ni O3 -","- C18 H25 N3 Ni O3 -","- C36 H50 N6 Ni2 O6 -","2","1","","Rettenmeier, Christoph A.; Wadepohl, Hubert; Gade, Lutz H.","Electronic structure and reactivity of nickel(i) pincer complexes: their aerobic transformation to peroxo species and site selective C‒H oxygenation","Chem. Sci.","2016","7","6","3533","","10.1039/C5SC04644K","","x-ray","0.71073","MoKα","","0.0463","0.0345","","","0.0631","0.0662","","","","","","0.977","","","","has coordinates","185143","2020-10-21","18:00:00",""
"1542423","6.25709","0.0001","16.6261","0.0003","17.4692","0.0002","90","","90","","90","","1817.34","0.05","110","1","110","1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C18 H25 N3 Ni O4 -","- C18 H25 N3 Ni O4 -","- C72 H100 N12 Ni4 O16 -","4","1","","Rettenmeier, Christoph A.; Wadepohl, Hubert; Gade, Lutz H.","Electronic structure and reactivity of nickel(i) pincer complexes: their aerobic transformation to peroxo species and site selective C‒H oxygenation","Chem. Sci.","2016","7","6","3533","","10.1039/C5SC04644K","","x-ray","0.71073","MoKα","","0.0577","0.0451","","","0.1251","0.1319","","","","","","1.116","","","","has coordinates","185143","2020-10-21","18:00:00",""
"1542424","11.065","0.005","13.046","0.006","20.098","0.009","90","","90","","90","","2901","2","100","2","100","1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C28 H42 N4 Ni O5 -","- C28 H42 N4 Ni O5 -","- C112 H168 N16 Ni4 O20 -","4","1","","Rettenmeier, Christoph A.; Wadepohl, Hubert; Gade, Lutz H.","Electronic structure and reactivity of nickel(i) pincer complexes: their aerobic transformation to peroxo species and site selective C‒H oxygenation","Chem. Sci.","2016","7","6","3533","","10.1039/C5SC04644K","","x-ray","0.71073","MoKα","","0.0448","0.0354","","","0.0832","0.0879","","","","","","1.042","","","","has coordinates","185143","2020-10-21","18:00:00",""
"1542425","6.41635","0.00007","10.31527","0.00011","32.9233","0.0005","90","","90","","90","","2179.07","0.05","120","1","120","1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C25 H25 N3 Ni O4 -","- C25 H25 N3 Ni O4 -","- C100 H100 N12 Ni4 O16 -","4","1","","Rettenmeier, Christoph A.; Wadepohl, Hubert; Gade, Lutz H.","Electronic structure and reactivity of nickel(i) pincer complexes: their aerobic transformation to peroxo species and site selective C‒H oxygenation","Chem. Sci.","2016","7","6","3533","","10.1039/C5SC04644K","","x-ray","1.54184","CuKα","","0.0229","0.0228","","","0.0575","0.0576","","","","","","1.094","","","","has coordinates","185143","2020-10-21","18:00:00",""
"1542426","10.1489","0.00006","12.0802","0.00007","17.62895","0.00014","90","","90","","90","","2161.32","0.02","120","1","120","1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C25 H23 N3 Ni O4 -","- C25 H23 N3 Ni O4 -","- C100 H92 N12 Ni4 O16 -","4","1","","Rettenmeier, Christoph A.; Wadepohl, Hubert; Gade, Lutz H.","Electronic structure and reactivity of nickel(i) pincer complexes: their aerobic transformation to peroxo species and site selective C‒H oxygenation","Chem. Sci.","2016","7","6","3533","","10.1039/C5SC04644K","","x-ray","1.54184","CuKα","","0.0208","0.0205","","","0.0526","0.0528","","","","","","1.065","","","","has coordinates,has disorder","185143","2020-10-21","18:00:00",""
"1542427","16.7003","0.0009","14.0892","0.0012","9.3429","0.0006","90","","96.029","0.006","90","","2186.2","0.3","101.8","","101.8","","","","","","","","","3","C 1 c 1","C -2yc","9","","2,4-2CzBN","","- C31 H19 N3 -","- C31 H19 N3 -","- C124 H76 N12 -","4","1","","Zhang, Dongdong; Cai, Minghan; Bin, Zhengyang; Zhang, Yunge; Zhang, Deqiang; Duan, Lian","Highly efficient blue thermally activated delayed fluorescent OLEDs with record-low driving voltages utilizing high triplet energy hosts with small singlet‒triplet splittings","Chem. Sci.","2016","7","5","3355","","10.1039/C5SC04755B","","","0.7107","MoKα","","0.039","0.0355","","","0.0784","0.0806","","","","","","1.055","","","","has coordinates","182619","2020-10-21","18:00:00",""
"1542428","8.4562","0.0016","7.9666","0.0014","34.004","0.006","90","","94.974","0.004","90","","2282.1","0.7","298","2","298","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","2,6-2CzBN","","- C31 H19 N3 -","- C31 H19 N3 -","- C124 H76 N12 -","4","1","","Zhang, Dongdong; Cai, Minghan; Bin, Zhengyang; Zhang, Yunge; Zhang, Deqiang; Duan, Lian","Highly efficient blue thermally activated delayed fluorescent OLEDs with record-low driving voltages utilizing high triplet energy hosts with small singlet‒triplet splittings","Chem. Sci.","2016","7","5","3355","","10.1039/C5SC04755B","","","0.71073","MoKα","","0.1834","0.0746","","","0.1092","0.134","","","","","","1.05","","","","has coordinates,has disorder","182619","2020-10-21","18:00:00",""
"1542429","9.1838","0.0015","13.264","0.002","18.172","0.003","90","","97.142","0.004","90","","2196.4","0.6","295","2","295","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","3,5-2CzBN","","- C31 H19 N3 -","- C31 H19 N3 -","- C124 H76 N12 -","4","1","","Zhang, Dongdong; Cai, Minghan; Bin, Zhengyang; Zhang, Yunge; Zhang, Deqiang; Duan, Lian","Highly efficient blue thermally activated delayed fluorescent OLEDs with record-low driving voltages utilizing high triplet energy hosts with small singlet‒triplet splittings","Chem. Sci.","2016","7","5","3355","","10.1039/C5SC04755B","","","0.71073","MoKα","","0.1232","0.0584","","","0.0888","0.1029","","","","","","1.081","","","","has coordinates","182619","2020-10-21","18:00:00",""
"1542430","12.8317","0.0004","7.8512","0.0003","17.4533","0.0008","90","","90.411","0.002","90","","1758.27","0.12","295","2","295","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C50 H32 N2 -","- C50 H32 N2 -","- C100 H64 N4 -","2","0.5","","Chen, Ying-Hsiao; Tang, Kuo-Chun; Chen, Yi-Ting; Shen, Jiun-Yi; Wu, Yu-Sin; Liu, Shih-Hung; Lee, Chun-Shu; Chen, Chang-Hsuan; Lai, Tzu-Yu; Tung, Shih-Huang; Jeng, Ru-Jong; Hung, Wen-Yi; Jiao, Min; Wu, Chung-Chih; Chou, Pi-Tai","Insight into the mechanism and outcoupling enhancement of excimer-associated white light generation","Chem. Sci.","2016","7","6","3556","","10.1039/C5SC04902D","","","0.71073","MoKα","","0.1489","0.059","","","0.1219","0.1587","","","","","","1.017","","","","has coordinates","185136","2020-10-21","18:00:00",""
"1542431","10.3052","0.001","33.5364","0.0019","10.5825","0.0011","90","","117.953","0.013","90","","3230.6","0.6","151","2","151","2","","","","","","","University of Manchester","5","P 1 21/n 1","-P 2yn","14","","[9-BBN(i-DCDM)][HBCF]","","- C33 H27 B2 F15 N2 -","- C33 H27.0001 B2 F15 N2 -","- C132 H108 B8 F60 N8 -","4","1","","McGough, John S.; Butler, Samuel M.; Cade, Ian A.; Ingleson, Michael J.","Highly selective catalytic trans-hydroboration of alkynes mediated by borenium cations and B(C6F5)3","Chem. Sci.","2016","7","5","3384","","10.1039/C5SC04798F","","","0.71073","MoKα","","0.0985","0.0717","","0.1613","0.1491","0.1613","","","","","","1.0269","","","","has coordinates","182632","2020-10-21","18:00:00",""
"1542432","7.3696","0.0005","11.5512","0.0008","17.0873","0.0009","90","","93.641","0.005","90","","1451.67","0.16","150.01","0.13","150.01","0.13","","","","","","","University of Manchester","4","P 1 21/c 1","-P 2ybc","14","","9-BBN(H)(IMe4)","","- C15 H27 B N2 -","- C15 H27 B N2 -","- C60 H108 B4 N8 -","4","1","","McGough, John S.; Butler, Samuel M.; Cade, Ian A.; Ingleson, Michael J.","Highly selective catalytic trans-hydroboration of alkynes mediated by borenium cations and B(C6F5)3","Chem. Sci.","2016","7","5","3384","","10.1039/C5SC04798F","","","0.7107","MoKα","","0.0862","0.0516","","0.1277","0.1162","0.1277","","","","","","0.9866","","","","has coordinates","182632","2020-10-21","18:00:00",""
"1542433","8.8757","0.0006","20.3411","0.0011","10.7976","0.0007","90","","101.728","0.007","90","","1908.7","0.2","150","","150","","","","","","","","","6","P 1 21 1","P 2yb","4","","[9-BBN(I-DCDM)2][HBCF]","","- C36 H27 B2 Cl4 F15 N4 -","- C36 H27 B2 Cl4 F15 N4 -","- C72 H54 B4 Cl8 F30 N8 -","2","1","","McGough, John S.; Butler, Samuel M.; Cade, Ian A.; Ingleson, Michael J.","Highly selective catalytic trans-hydroboration of alkynes mediated by borenium cations and B(C6F5)3","Chem. Sci.","2016","7","5","3384","","10.1039/C5SC04798F","","","0.7107","MoKα","","0.0725","0.0528","","0.0879","0.0785","0.0879","","","","","","0.9775","","","","has coordinates","209529","2020-10-21","18:00:00",""
"1542434","15.2641","0.0004","10.389","0.0003","19.5887","0.0006","90","","92.115","0.003","90","","3104.24","0.15","150","","150","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","[1,3-Me2-4,5-Cl2-imidazolium][B((C6F5)3)-Z-(2-methylstyrene)]","","- C32 H16 B Cl2 F15 N2 -","- C32 H16 B Cl2 F15 N2 -","- C128 H64 B4 Cl8 F60 N8 -","4","1","","McGough, John S.; Butler, Samuel M.; Cade, Ian A.; Ingleson, Michael J.","Highly selective catalytic trans-hydroboration of alkynes mediated by borenium cations and B(C6F5)3","Chem. Sci.","2016","7","5","3384","","10.1039/C5SC04798F","","","0.71073","MoKα","","0.0714","0.0487","","0.1035","0.0916","0.1035","","","","","","0.9732","","","","has coordinates","182632","2020-10-21","18:00:00",""
"1542436","8.6885","0.001","12.1849","0.0012","18.105","0.002","79.834","0.005","85.356","0.006","81.823","0.005","1864.4","0.4","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","'LZr(CH3)2'","","- C42 H53 B N2 Si Zr -","- C42 H53 B N2 Si Zr -","- C84 H106 B2 N4 Si2 Zr2 -","2","1","","Wang, Min; Wang, Dongren; Widmann, Laura; Frey, Wolfgang; Buchmeiser, Michael R.","Tandem vinyl insertion-/ring-opening metathesis copolymerization with ansa-6-[2-(dimesitylboryl)-phenyl]pyrid-2-ylamido zirconium complexes: role of trialkylaluminum and MAO","Polym. Chem.","2016","7","10","1987","","10.1039/C6PY00078A","","","0.71073","MoKα","","0.0738","0.0423","","","0.0769","0.0833","","","","","","1.041","","","","has coordinates","177938","2020-10-21","18:00:00",""
"1542437","27.914","0.002","16.0147","0.0009","10.2151","0.0007","90","","95.322","0.004","90","","4546.8","0.5","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","'LZr(Bn)2'","","- C54 H61 B N2 Si Zr -","- C54 H61 B N2 Si Zr -","- C216 H244 B4 N8 Si4 Zr4 -","4","1","","Wang, Min; Wang, Dongren; Widmann, Laura; Frey, Wolfgang; Buchmeiser, Michael R.","Tandem vinyl insertion-/ring-opening metathesis copolymerization with ansa-6-[2-(dimesitylboryl)-phenyl]pyrid-2-ylamido zirconium complexes: role of trialkylaluminum and MAO","Polym. Chem.","2016","7","10","1987","","10.1039/C6PY00078A","","","0.71073","MoKα","","0.2007","0.0651","","","0.1143","0.1337","","","","","","1.061","","","","has coordinates","177938","2020-10-21","18:00:00",""
"1542438","11.1492","0.0005","11.3188","0.0005","20.2772","0.0009","89.308","0.002","82.967","0.002","77.549","0.002","2479.64","0.19","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","'LZr(CH2SiMe3)2'","","- C50 H74 B N2 O0.5 Si3 Zr -","- C50 H74 B N2 O0.5 Si3 Zr -","- C100 H148 B2 N4 O Si6 Zr2 -","2","1","","Wang, Min; Wang, Dongren; Widmann, Laura; Frey, Wolfgang; Buchmeiser, Michael R.","Tandem vinyl insertion-/ring-opening metathesis copolymerization with ansa-6-[2-(dimesitylboryl)-phenyl]pyrid-2-ylamido zirconium complexes: role of trialkylaluminum and MAO","Polym. Chem.","2016","7","10","1987","","10.1039/C6PY00078A","","","0.71073","MoKα","","0.044","0.0309","","","0.079","0.0835","","","","","","1.048","","","","has coordinates,has disorder","177938","2020-10-21","18:00:00",""
"1542439","12.18","0.005","15.448","0.006","22.984","0.01","90","","90","","90","","4325","3","296","2","296","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C23 H29.5 O6 -","- C23 H29.5 O6 -","- C184 H236 O48 -","8","2","","Zhao, Ximei; Xi, Xin; Hu, Zhan; Wu, Wenjun; Zhang, Jiwen","Exploration of Novel Botanical Insecticide Leads: Synthesis and Insecticidal Activity of β-Dihydroagarofuran Derivatives.","Journal of agricultural and food chemistry","2016","64","7","1503","1508","10.1021/acs.jafc.5b05782","","","0.71073","MoKα","","0.1008","0.0566","","","0.1372","0.161","","","","","","1.033","","","","has coordinates","177411","2020-10-21","18:00:00",""
"1542440","8.313","0.002","16.817","0.004","17.345","0.005","90","","90","","90","","2424.8","1.1","296","2","296","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C25 H38 O6 -","- C25 H38 O6 -","- C100 H152 O24 -","4","1","","Zhao, Ximei; Xi, Xin; Hu, Zhan; Wu, Wenjun; Zhang, Jiwen","Exploration of Novel Botanical Insecticide Leads: Synthesis and Insecticidal Activity of β-Dihydroagarofuran Derivatives.","Journal of agricultural and food chemistry","2016","64","7","1503","1508","10.1021/acs.jafc.5b05782","","","0.71073","MoKα","","0.0555","0.0405","","","0.0823","0.0887","","","","","","1.033","","","","has coordinates","177411","2020-10-21","18:00:00",""
"1542441","7.494","0.0008","15.0837","0.0017","17.3328","0.0019","90","","100.884","0.001","90","","1924","0.4","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C21 H26 O3 Se -","- C21 H26 O3 Se -","- C84 H104 O12 Se4 -","4","1","","Tang, E.; Zhao, Yinjiao; Li, Wen; Wang, Weilin; Zhang, Meng; Dai, Xin","Catalytic Selenium-Promoted Intermolecular Friedel-Crafts Alkylation with Simple Alkenes.","Organic letters","2016","18","5","912","","10.1021/acs.orglett.5b03579","","","0.71073","MoKα","","0.0519","0.0331","","","0.0788","0.0874","","","","","","1.065","","","","has coordinates","177452","2020-10-21","18:00:00",""
"1542442","7.3183","0.0011","10.0305","0.0015","10.947","0.0017","69.766","0.002","77.72","0.002","85.037","0.002","736.66","0.19","298","2","298","2","","","","","","","","3","P -1","-P 1","2","","","","- C18 H20 O -","- C18 H20 O -","- C36 H40 O2 -","2","1","","Tang, E.; Zhao, Yinjiao; Li, Wen; Wang, Weilin; Zhang, Meng; Dai, Xin","Catalytic Selenium-Promoted Intermolecular Friedel-Crafts Alkylation with Simple Alkenes.","Organic letters","2016","18","5","912","","10.1021/acs.orglett.5b03579","","","0.71073","MoKα","","0.0972","0.0551","","","0.1468","0.177","","","","","","1.04","","","","has coordinates","177452","2020-10-21","18:00:00",""
"1542443","7.5256","0.0015","7.9629","0.0016","13.641","0.003","103.84","0.03","91.68","0.03","98.51","0.03","783.2","0.3","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C19 H11 F3 N2 O2 -","- C19 H11 F3 N2 O2 -","- C38 H22 F6 N4 O4 -","2","1","","Li, Ting; Wang, Zhiqiang; Xu, Kun; Liu, Wenmin; Zhang, Xu; Mao, Wutao; Guo, Yongming; Ge, Xiaolin; Pan, Fei","Rhodium-Catalyzed/Copper-Mediated Tandem C(sp(2))-H Alkynylation and Annulation: Synthesis of 11-Acylated Imidazo[1,2-a:3,4-a']dipyridin-5-ium-4-olates from 2H-[1,2'-Bipyridin]-2-ones and Propargyl Alcohols.","Organic letters","2016","18","5","1064","","10.1021/acs.orglett.6b00177","","","0.71073","MoKα","","0.0957","0.0667","","","0.2068","0.2539","","","","","","0.945","","","","has coordinates","177456","2020-10-21","18:00:00",""
"1542444","16.336","0.011","7.549","0.005","21.555","0.016","90","","90","","90","","2658","3","296","2","296","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C18 H12 N2 O2 -","- C18 H12 N2 O2 -","- C144 H96 N16 O16 -","8","1","","Li, Ting; Wang, Zhiqiang; Xu, Kun; Liu, Wenmin; Zhang, Xu; Mao, Wutao; Guo, Yongming; Ge, Xiaolin; Pan, Fei","Rhodium-Catalyzed/Copper-Mediated Tandem C(sp(2))-H Alkynylation and Annulation: Synthesis of 11-Acylated Imidazo[1,2-a:3,4-a']dipyridin-5-ium-4-olates from 2H-[1,2'-Bipyridin]-2-ones and Propargyl Alcohols.","Organic letters","2016","18","5","1064","","10.1021/acs.orglett.6b00177","","","0.71073","MoKα","","0.1454","0.059","","","0.1623","0.2243","","","","","","0.636","","","","has coordinates","177456","2020-10-21","18:00:00",""
"1542445","8.823","0.0016","9.7832","0.0015","28.016","0.005","90","","90","","90","","2418.3","0.7","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C28 H37.68 N O4.34 -","- C28 H37 N O4.34 -","- C112 H148 N4 O17.36 -","4","1","","Yan, Bing-Chao; Wang, Wei-Guang; Hu, Dong-Bao; Sun, Xiang; Kong, Ling-Mei; Li, Xiao-Nian; Du, Xue; Luo, Shi-Hong; Liu, Yan; Li, Yan; Sun, Han-Dong; Pu, Jian-Xin","Phomopchalasins A and B, Two Cytochalasans with Polycyclic-Fused Skeletons from the Endophytic Fungus Phomopsis sp. shj2.","Organic letters","2016","18","5","1108","","10.1021/acs.orglett.6b00214","","","1.54178","CuKα","","0.2088","0.1134","","","0.3009","0.3545","","","","","","1.084","","","","has coordinates","177460","2020-10-21","18:00:00",""
"1542446","9.7486","0.0002","14.4556","0.0003","10.3782","0.0002","90","","102.099","0.001","90","","1430.03","0.05","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C31 H43 N O7 -","- C31 H43 N O7 -","- C62 H86 N2 O14 -","2","1","","Yan, Bing-Chao; Wang, Wei-Guang; Hu, Dong-Bao; Sun, Xiang; Kong, Ling-Mei; Li, Xiao-Nian; Du, Xue; Luo, Shi-Hong; Liu, Yan; Li, Yan; Sun, Han-Dong; Pu, Jian-Xin","Phomopchalasins A and B, Two Cytochalasans with Polycyclic-Fused Skeletons from the Endophytic Fungus Phomopsis sp. shj2.","Organic letters","2016","18","5","1108","","10.1021/acs.orglett.6b00214","","","1.54178","CuKα","","0.0888","0.0555","","","0.1459","0.1718","","","","","","1.176","","","","has coordinates","177460","2020-10-21","18:00:00",""
"1542447","12.9375","0.0002","11.6146","0.0002","32.205","0.002","90","","94.227","0.007","90","","4826.1","0.3","93","2","93","2","","","","","","","None","6","P 1 21/c 1","-P 2ybc","14","28","Peptidine 28","","- C49 H60 Cl N7 O6 S3 -","- C49 H60 Cl N7 O6 S3 -","- C196 H240 Cl4 N28 O24 S12 -","4","1","","Vastl, Julian; Kartika, Rendy; Park, Kichul; Cho, Art E.; Spiegel, David A.","Peptidines: glycine-amidine-based oligomers for solution- and solid-phase synthesis","Chem. Sci.","2016","7","5","3317","","10.1039/C5SC03882K","","","1.54187","CuKα","","0.0909","0.0697","","","0.1864","0.2067","","","","","","1.086","","","","has coordinates","182617","2020-10-21","18:00:00",""
"1542448","10.5922","0.0006","12.3446","0.0008","15.3053","0.0009","107.337","0.001","90.559","0.001","90.554","0.001","1910.1","0.2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C34 H34 Br Dy N13 O6.5 -","- C34 H30 Br Dy N13 O6.5 -","- C68 H60 Br2 Dy2 N26 O13 -","2","1","","Wu, Jianfeng; Jung, Julie; Zhang, Peng; Zhang, Haixia; Tang, Jinkui; Le Guennic, Boris","Cis‒trans isomerism modulates the magnetic relaxation of dysprosium single-molecule magnets","Chem. Sci.","2016","7","6","3632","","10.1039/C5SC04510J","","","0.71073","MoKα","","0.1017","0.0604","","","0.1185","0.1418","","","","","","1.008","","","","has coordinates","185137","2020-10-21","18:00:00",""
"1542449","30.25","0.005","17.599","0.003","20.537","0.003","90","","129.531","0.011","90","","8433","3","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C32 H30 Dy N13 O9 -","- C32 H30 Dy N13 O8.5 -","- C256 H240 Dy8 N104 O68 -","8","1","","Wu, Jianfeng; Jung, Julie; Zhang, Peng; Zhang, Haixia; Tang, Jinkui; Le Guennic, Boris","Cis‒trans isomerism modulates the magnetic relaxation of dysprosium single-molecule magnets","Chem. Sci.","2016","7","6","3632","","10.1039/C5SC04510J","","","0.71073","MoKα","","0.0769","0.0511","","","0.153","0.1661","","","","","","0.994","","","","has coordinates","185137","2020-10-21","18:00:00",""
"1542450","20.791","0.002","18.7611","0.0018","13.6144","0.0014","90","","129.032","0.002","90","","4125.1","0.7","293","2","293","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C33 H34 Dy F3 N12 O11 S -","- C33 H30 Dy F3 N12 O11 S -","- C132 H120 Dy4 F12 N48 O44 S4 -","4","0.5","","Wu, Jianfeng; Jung, Julie; Zhang, Peng; Zhang, Haixia; Tang, Jinkui; Le Guennic, Boris","Cis‒trans isomerism modulates the magnetic relaxation of dysprosium single-molecule magnets","Chem. Sci.","2016","7","6","3632","","10.1039/C5SC04510J","","","0.71073","MoKα","","0.0646","0.0508","","","0.139","0.1492","","","","","","1.09","","","","has coordinates","185137","2020-10-21","18:00:00",""
"1542452","11.5613","0.0007","16.4245","0.0013","8.873","0.0006","90","","107.768","0.006","90","","1604.5","0.2","295","2","295","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","(<i>E</i>)-<i>N</i>-[Cyclopentyl(morpholin-4-yl)methylidene]-4-fluorobenzenesulfonamide","","- C16 H21 F N2 O3 S -","- C16 H21 F N2 O3 S -","- C64 H84 F4 N8 O12 S4 -","4","1","HB4006","Efimov, Ilya; Slepukhin, Pavel; Beliaev, Nikolai; Bakulev, Vasiliy","(<i>E</i>)-<i>N</i>-[Cyclopentyl(morpholin-4-yl)methylidene]-4-fluorobenzenesulfonamide","IUCrData","2016","1","1","x160013","","10.1107/S2414314616000134","","","0.7107","MoKα","","0.0778","0.0464","","","0.1167","0.1371","","","","","","1.007","","","","has coordinates,has disorder,has Fobs","177499","2020-10-21","18:00:00",""
"1542453","17.743","0.0007","37.3075","0.0019","6.142","0.0002","90","","90","","90","","4065.7","0.3","120","2","119.99","","","","","","","","","4","F d d 2","F 2 -2d","43","","2-(Phenylsulfanyl)aniline","","- C12 H11 N S -","- C12 H11 N S -","- C192 H176 N16 S16 -","16","1","","Mdluli, Velabo; Golen, James A.; Manke, David R.","2-(Phenylsulfanyl)aniline","IUCrData","2016","1","1","x152489","","10.1107/S241431461502489X","","","0.71073","MoKα","","0.0258","0.0229","","","0.0538","0.0554","","","","","","1.098","","","","has coordinates,has Fobs","177500","2020-10-21","18:00:00",""
"1542454","6.1889","0.0018","6.614","0.002","7.835","0.002","90","","93.503","0.009","90","","320.11","0.16","120","2","120.15","","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","2-Bromo-5-methylpyridine","","- C6 H6 Br N -","- C6 H6 Br N -","- C12 H12 Br2 N2 -","2","0.5","SU4009","Roy, Mrittika; Golen, James A.; Manke, David R.","2-Bromo-5-methylpyridine","IUCrData","2016","1","1","x160090","","10.1107/S2414314616000900","","","0.71073","MoKα","","0.0273","0.0228","","","0.0556","0.0596","","","","","","1.0987","","","","has coordinates,has Fobs","177501","2020-10-21","18:00:00",""
"1542455","10.2208","0.0005","10.8693","0.0006","18.1059","0.0006","90","","90","","90","","2011.44","0.16","120","2","120","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","1-Anilino-5-methyl-1<i>H</i>-1,2,3-triazole-4-carbaldehyde","","- C10 H10 N4 O -","- C10 H10 N4 O -","- C80 H80 N32 O8 -","8","1","ZQ4001","Cunha, Anna C.; Jordão, Alessandro K.; de Souza, Maria C. B. V.; Ferreira, Vitor F.; de Almeida, Maria C. B.; Wardell, James L.; Tiekink, Edward R. T.","1-Anilino-5-methyl-1<i>H</i>-1,2,3-triazole-4-carbaldehyde","IUCrData","2016","1","1","x160038","","10.1107/S2414314616000389","","","0.71069","MoKα","","0.0757","0.0467","","","0.123","0.1378","","","","","","1.047","","","","has coordinates,has Fobs","177502","2020-10-21","18:00:00",""
"1542456","13.7434","0.0013","12.6277","0.0013","18.763","0.0018","90","","98.352","0.007","90","","3221.7","0.5","200","2","200","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","{[1,1'-Bis(diphenylphosphino)ferrocene]digold}sulfide methanol monosolvate","μ-Sulfido-bis{[1,1'-bis(diphenylphosphanyl)ferrocene-κ<i>P</i>,<i>P</i>']gold} methanol monosolvate","","- C35 H32 Au2 Fe O P2 S -","- C35 H32 Au2 Fe O P2 S -","- C140 H128 Au8 Fe4 O4 P8 S4 -","4","1","SJ4004","Itai, Takuma; Kojima, Tatsuhiro; Konno, Takumi","μ-Sulfido-bis{[1,1'-bis(diphenylphosphanyl)ferrocene-κ^2^<i>P</i>,<i>P</i>']gold} methanol monosolvate","IUCrData","2016","1","1","x152492","","10.1107/S241431461502492X","","","0.71075","MoKα","","0.0409","0.0307","","","0.0502","0.0524","","","","","","1.127","","","","has coordinates,has disorder,has Fobs","177503","2020-10-21","18:00:00",""
"1542457","9.2984","0.0012","9.3261","0.0014","12.5747","0.0016","107.16","0.002","103.719","0.003","96.55","0.002","992.1","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","Bis(acetato-κ<i>O</i>)bis{2-[4-(pyridin-2-yl)phenyl]-1<i>H</i>-imidazo[4,5-<i>f</i>][1,10]phenanthroline-κ^2^<i>N</i>,<i>N</i>'}cadmium(II)","","- C52 H36 Cd N10 O4 -","- C52 H36 Cd N10 O4 -","- C52 H36 Cd N10 O4 -","1","0.5","CV4002","Guo, Lei-Qun; Jiang, Yin-Hua","Bis(acetato-κ<i>O</i>)bis{2-[4-(pyridin-2-yl)phenyl]-1<i>H</i>-imidazo[4,5-<i>f</i>][1,10]phenanthroline-κ^2^<i>N</i>,<i>N</i>'}cadmium(II)","IUCrData","2016","1","1","x160063","","10.1107/S2414314616000638","","","0.71073","MoKα","","0.0555","0.0494","","","0.117","0.1224","","","","","","1.067","","","","has coordinates,has Fobs","177504","2020-10-21","18:00:00",""
"1542458","14.3033","0.0006","10.3598","0.0004","20.2825","0.0009","90","","105.468","0.002","90","","2896.6","0.2","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2-Dimethylamino-1-(2-ethoxy-2-oxoethyl)-3-methyl-4,5-dihydroimidazolium tetraphenylborate","","- C34 H40 B N3 O2 -","- C34 H40 B N3 O2 -","- C136 H160 B4 N12 O8 -","4","1","FF4001","Tiritiris, Ioannis; Kantlehner, Willi","2-Dimethylamino-1-(2-ethoxy-2-oxoethyl)-3-methyl-4,5-dihydroimidazolium tetraphenylborate","IUCrData","2016","1","1","x160109","","10.1107/S2414314616001097","","","0.71073","MoKα","","0.1172","0.0649","","","0.1256","0.1482","","","","","","1.041","","","","has coordinates,has disorder,has Fobs","177505","2020-10-21","18:00:00",""
"1542459","8.0307","0.0002","14.4939","0.0003","22.2528","0.0006","90","","98.814","0.002","90","","2559.55","0.11","150","2","150","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","(η^2^,η^2^-Cycloocta-1,5-diene)(η^5^-indenyl)cobalt(I)","","- C17 H19 Co -","- C17 H19 Co -","- C136 H152 Co8 -","8","2","","Jungk, Phillip; Spannenberg, Anke; Hapke, Marko","Crystal structure of (η^2^,η^2^-cycloocta-1,5-diene)(η^5^-indenyl)cobalt(I)","IUCrData","2016","1","1","x160027","","10.1107/S2414314616000274","","","0.71073","MoKα","","0.0265","0.0221","","","0.0593","0.0603","","","","","","1.028","","","","has coordinates,has Fobs","177506","2020-10-21","18:00:00",""
"1542460","10.5015","0.0012","23.561","0.003","7.7533","0.0006","90","","96.604","0.008","90","","1905.6","0.4","295","2","295","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Dimethyl[(<i>E</i>)-2-(1-methyl-5-nitro-1<i>H</i>-imidazol-4-yl)ethenyl]amine","","- C8 H12 N4 O2 -","- C8 H12 N4 O2 -","- C64 H96 N32 O16 -","8","2","","Beliaev, Nikolai; Slepukhin, Pavel","Crystal structure of dimethyl[(<i>E</i>)-2-(1-methyl-5-nitro-1<i>H</i>-imidazol-4-yl)ethenyl]amine","IUCrData","2016","1","1","x152488","","10.1107/S2414314615024888","","","0.71073","MoKα","","0.1139","0.0379","","","0.0619","0.0655","","","","","","1.003","","","","has coordinates,has Fobs","177507","2020-10-21","18:00:00",""
"1542461","9.205","0.006","9.688","0.007","12.943","0.009","104.871","0.011","91.465","0.007","100.983","0.012","1091.8","1.3","293","2","293.15","","","","","","","","","5","P -1","-P 1","2","Tramadolium 2-chlorobenzoate","[2-Hydroxy-2-(3-methoxyphenyl)cyclohexylmethyl]dimethylammonium 2-chlorobenzoate","","- C23 H30 Cl N O4 -","- C23 H30 Cl N O4 -","- C46 H60 Cl2 N2 O8 -","2","1","HB4009","Sheshadri, S. N.; Nagendra, P.; Siddaraju, B. P.; Byrappa, K.; Lokanath, N. K.; Madan Kumar, S.","Tramadolium 2-chlorobenzoate","IUCrData","2016","1","1","x160014","","10.1107/S2414314616000146","","","0.71075","MoKα","","0.0667","0.0471","","","0.1022","0.1113","","","","","","1.025","","","","has coordinates,has Fobs","177508","2020-10-21","18:00:00",""
"1542462","5.2434","0.0004","25.902","0.002","7.7027","0.0006","90","","104.756","0.005","90","","1011.64","0.14","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","5-Chloro-1-phenylpentan-1-one","","- C11 H13 Cl O -","- C11 H13 Cl O -","- C44 H52 Cl4 O4 -","4","1","CV4001","Bechmann, Nicole; Kniess, Torsten; Pietzsch, Jens; König, Jonas; Köckerling, Martin","5-Chloro-1-phenylpentan-1-one","IUCrData","2016","1","1","x160055","","10.1107/S2414314616000559","","","0.71073","MoKα","","0.0916","0.0426","","","0.086","0.1075","","","","","","1.012","","","","has coordinates,has Fobs","177509","2020-10-21","18:00:00",""
"1542463","16.1061","0.0019","19.891","0.002","15.254","0.003","90","","90","","90","","4886.9","1.2","100","","100","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","Tetrakis(μ~2~-diphenylphosphinato-κ^2^<i>O</i>,<i>O</i>')tetra-μ~3~-oxido-tetraoxidohexamolybdenum(V)","","- C48 H40 Mo4 O16 P4 -","- C48 H40 Mo4 O16 P4 -","- C192 H160 Mo16 O64 P16 -","4","0.5","SJ4007","Mota Merelo de Aguiar, Sara Raquel; Stöger, Berthold; Weil, Matthias; Kirchner, Karl","Tetrakis(μ~2~-diphenylphosphinato-κ^2^<i>O</i>,<i>O</i>')tetra-μ~3~-oxido-tetraoxidohexamolybdenum(V)","IUCrData","2016","1","1","x160036","","10.1107/S2414314616000365","","","0.71073","MoKα","","0.0524","0.0386","","","0.078","0.09","","","","","","1.272","","","","has coordinates,has Fobs","177511","2020-10-21","18:00:00",""
"1542464","8.9361","0.0006","14.832","0.001","18.968","0.0013","90","","101.613","0.001","90","","2462.6","0.3","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Bis(<i>N</i>-benzyl-<i>N</i>-methyldithiocarbamato-κ^2^<i>S</i>,<i>S</i>')(pyridine-κ<i>N</i>)cadmium(II)","","- C23 H25 Cd N3 S4 -","- C23 H25 Cd N3 S4 -","- C92 H100 Cd4 N12 S16 -","4","1","SJ4002","Ehsan, Muhammad Ali; Mazhar, Muhammad; Tiekink, Edward R. T.","Bis(<i>N</i>-benzyl-<i>N</i>-methyldithiocarbamato-κ^2^<i>S</i>,<i>S</i>')(pyridine-κ<i>N</i>)cadmium(II)","IUCrData","2016","1","1","x152429","","10.1107/S2414314615024293","","","0.71073","MoKα","","0.0234","0.0202","","","0.0489","0.0508","","","","","","1.04","","","","has coordinates,has Fobs","177512","2020-10-21","18:00:00",""
"1542465","11.0767","0.0012","12.067","0.0013","12.16","0.0013","90.825","0.002","102.561","0.0019","95.142","0.002","1579.1","0.3","100","1","100","1","","","","","","","","5","P -1","-P 1","2","","1-[5-(2-Chlorophenyl)-3-(4-methylphenyl)-4,5-dihydro-1<i>H</i>-pyrazol-1-yl]ethan-1-one","","- C18 H17 Cl N2 O -","- C18 H17 Cl N2 O -","- C72 H68 Cl4 N8 O4 -","4","2","","Adam, Farook; Ameram, Nadiah; Samshuddin, Seranthimata; Brighten Antony, Moonnanjilikkal; Ali Khan, Musthakeem","1-[5-(2-Chlorophenyl)-3-(4-methylphenyl)-4,5-dihydro-1<i>H</i>-pyrazol-1-yl]ethan-1-one","IUCrData","2016","1","1","x152460","","10.1107/S2414314615024608","","","0.71073","MoKα","","0.0431","0.0396","","","0.1155","0.1189","","","","","","1.097","","","","has coordinates,has Fobs","177513","2020-10-21","18:00:00",""
"1542466","13.225","0.0005","15.0844","0.0006","8.4294","0.0003","90","","93.951","0.003","90","","1677.59","0.11","99.98","0.1","99.98","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","{4,5-Dimethoxy-2-[(2,3-η)-2-prop-2-en-1-yl]phenyl-κ<i>C</i>^1^}(8-hydroxyquinolinato-κ<i>N</i>,<i>O</i>)platinum(II)","","- C20 H19 N O3 Pt -","- C20 H19 N O3 Pt -","- C80 H76 N4 O12 Pt4 -","4","1","WM4002","Bui, Thi Yen Hang; Nguyen Thi Thanh, Chi; Van Meervelt, Luc","{4,5-Dimethoxy-2-[(2,3-η)-2-prop-2-en-1-yl]phenyl-κ<i>C</i>^1^}(8-hydroxyquinolinato-κ<i>N</i>,<i>O</i>)platinum(II)","IUCrData","2016","1","1","x152428","","10.1107/S2414314615024281","","","0.71073","MoKα","","0.0184","0.0153","","","0.0328","0.034","","","","","","1.048","","","","has coordinates","177514","2020-10-21","18:00:00",""
"1542467","7.328","0.0004","17.0138","0.0007","8.9223","0.0004","90","","107.818","0.005","90","","1059.05","0.09","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","3-[(2-Hydroxybenzyl)azaniumyl]propanoate monohydrate","","- C10 H15 N O4 -","- C10 H15 N O4 -","- C40 H60 N4 O16 -","4","1","VM4003","Baul, Tushar S. Basu; Chaurasiya, Anurag; Tiekink, Edward R. T.","3-[(2-Hydroxybenzyl)azaniumyl]propanoate monohydrate","IUCrData","2016","1","1","x152453","","10.1107/S2414314615024530","","","0.71073","MoKα","","0.0505","0.0408","","","0.1015","0.1093","","","","","","1.047","","","","has coordinates,has Fobs","177515","2020-10-21","18:00:00",""
"1542468","8.1476","0.0002","17.6289","0.0004","8.8692","0.0003","90","","114.835","0.004","90","","1156.1","0.07","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Diethyl 2,2'-({[1,4-phenylenebis(azanediyl)]bis(methylene)}bis(1<i>H</i>-pyrrole-2,1-diyl))diacetate","","- C24 H30 N4 O4 -","- C24 H30 N4 O4 -","- C48 H60 N8 O8 -","2","0.5","SU4008","Alshawi, Jasim; Yousif, Muoayed; Timco, Grigore; Zangana, Karzan H.; Winpenny, Richard; Al-Jeboori, Mohamad J.","Diethyl 2,2'-({[1,4-phenylenebis(azanediyl)]bis(methylene)}bis(1<i>H</i>-pyrrole-2,1-diyl))diacetate","IUCrData","2016","1","1","x160046","","10.1107/S2414314616000468","","","0.71073","MoKα","","0.098","0.0535","","","0.1145","0.1349","","","","","","1.032","","","","has coordinates,has Fobs","177516","2020-10-21","18:00:00",""
"1542469","9.654","0.0007","9.9211","0.0006","11.2854","0.0008","73.537","0.003","88.138","0.003","72.42","0.003","986.5","0.12","200","","200","","","","","","","","","6","P -1","-P 1","2","","Bis[μ-2-(phenylsulfanyl)anilido-κ^2^<i>N</i>:<i>N</i>]bis[bis(tetrahydrofuran-κ<i>O</i>)lithium]","","- C40 H52 Li2 N2 O4 S2 -","- C40 H52 Li2 N2 O4 S2 -","- C40 H52 Li2 N2 O4 S2 -","1","0.5","WM4006","Mdluli, Velabo; Golen, James A.; Manke, David R.","Bis[μ-2-(phenylsulfanyl)anilido-κ^2^<i>N</i>:<i>N</i>]bis[bis(tetrahydrofuran-κ<i>O</i>)lithium]","IUCrData","2016","1","1","x160130","","10.1107/S2414314616001309","","","0.71073","MoKα","","0.0499","0.0419","","","0.1022","0.1105","","","","","","1.059","","","","has coordinates,has disorder,has Fobs","177517","2020-10-21","18:00:00",""
"1542470","6.0366","0.0004","7.6215","0.0005","23.0837","0.0014","90","","91.737","0.003","90","","1061.55","0.12","92","2","92","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","2-Chloro-1-ferrocenylethanol","","- C12 H13 Cl Fe O -","- C12 H13 Cl Fe O -","- C48 H52 Cl4 Fe4 O4 -","4","1","HB4003","McAdam, C. John; Simpson, Jim","2-Chloro-1-ferrocenylethanol","IUCrData","2016","1","1","x160102","","10.1107/S2414314616001024","","","0.71073","MoKα","","0.0406","0.0349","","","0.0904","0.0941","","","","","","1.033","","","","has coordinates","177518","2020-10-21","18:00:00",""
"1542471","8.1839","0.0002","9.1461","0.0003","11.7669","0.0004","106.557","0.003","97.687","0.002","96.63","0.002","825.65","0.05","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","3,3'-[(Cyclohexane-1,4-diyl)bis(azanediyl)]bis(cyclohex-2-en-1-one)","","- C18 H26 N2 O2 -","- C18 H26 N2 O2 -","- C36 H52 N4 O4 -","2","1","SU4002","Abdelhamida, Antar A.; Mohamed, Shaaban K.; Simpson, Jim","3,3'-[(Cyclohexane-1,4-diyl)bis(azanediyl)]bis(cyclohex-2-en-1-one)","IUCrData","2016","1","1","x152175","","10.1107/S2414314615021756","","x-ray","1.54184","CuKα","","0.0423","0.0391","","","0.0995","0.1033","","","","","","1.098","","","","has coordinates,has Fobs","177519","2020-10-21","18:00:00",""
"1542472","5.4194","0.0008","9.0619","0.0012","9.4607","0.0013","81.285","0.011","82.771","0.011","77.208","0.011","445.8","0.11","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","Tetraethyl pyrazine-2,3,5,6-tetracarboxylate","","- C16 H20 N2 O8 -","- C16 H20 N2 O8 -","- C16 H20 N2 O8 -","1","0.5","","Wang, Yi; Stoeckli-Evans, Helen","Tetraethyl pyrazine-2,3,5,6-tetracarboxylate","IUCrData","2016","1","1","x152174","","10.1107/S2414314615021744","","","0.71073","MoKα","","0.0837","0.0492","","","0.1137","0.1239","","","","","","0.857","","","","has coordinates,has Fobs","177520","2020-10-21","18:00:00",""
"1542473","21.494","0.004","6.43","0.0013","19.193","0.004","90","","99.98","0.03","90","","2612.5","0.9","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","Dimethylammonium 2-amino-5-nitroterephthalate hemihydrate","","- C10 H14 N8 O6.5 -","- C10 H14 N3 O6.5 -","- C80 H112 N24 O52 -","8","1","","Krueger, Martin; Albat, Martin; Pieper, Florian; Stock, Norbert","Dimethylammonium 2-amino-5-nitroterephthalate hemihydrate","IUCrData","2016","1","1","x160048","","10.1107/S2414314616000481","","","0.71073","MoKα","","0.113","0.0509","","","0.1128","0.1394","","","","","","1.001","","","","has coordinates,has Fobs","194547","2020-10-21","18:00:00",""
"1542474","9.7194","0.0003","9.4737","0.0003","17.9416","0.0008","90","","105.386","0.001","90","","1592.83","0.1","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Bis(morpholine-4-carboxamidinium) sulfate","","- C10 H24 N6 O6 S -","- C10 H24 N6 O6 S -","- C40 H96 N24 O24 S4 -","4","1","ZL4002","Tiritiris, Ioannis; Kantlehner, Willi","Morpholine-4-carboxamidinium sulfate","IUCrData","2016","1","1","x160069","","10.1107/S2414314616000699","","","0.71073","MoKα","","0.0383","0.031","","","0.0812","0.086","","","","","","1.044","","","","has coordinates,has disorder,has Fobs","177522","2020-10-21","18:00:00",""
"1542475","12.1957","0.0009","7.9654","0.0005","30.4821","0.0018","90","","97.934","0.004","90","","2932.8","0.3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","<i>N</i>-Benzyl-<i>N</i>-[2-(<i>N</i>-benzyl-<i>N</i>',<i>N</i>',<i>N</i>'',<i>N</i>''-tetramethylguanidiniumyl)ethyl]-<i>N</i>',<i>N</i>',<i>N</i>'',<i>N</i>''-tetramethylguanidinium dibromide 1.5-hydrate","","- C26 H45 Br2 N6 O1.5 -","- C26 H45 Br2 N6 O1.5 -","- C104 H180 Br8 N24 O6 -","4","1","SJ4008","Tiritiris, Ioannis; Kantlehner, Willi","<i>N</i>-Benzyl-<i>N</i>-[2-(<i>N</i>-benzyl-<i>N</i>',<i>N</i>',<i>N</i>'',<i>N</i>''-tetramethylguanidiniumyl)ethyl]-<i>N</i>',<i>N</i>',<i>N</i>'',<i>N</i>''-tetramethylguanidinium dibromide 1.5-hydrate","IUCrData","2016","1","1","x160047","","10.1107/S241431461600047X","","","0.71073","MoKα","","0.07","0.0404","","","0.0794","0.088","","","","","","1.02","","","","has coordinates,has Fobs","177523","2020-10-21","18:00:00",""
"1542476","15.1282","0.0005","7.25666","0.00017","16.3038","0.0005","90","","108.013","0.003","90","","1702.11","0.09","95","2","95.15","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","<i>trans</i>-Dichlorido{3,4-dimethoxy-2-[(2,3-η)-prop-2-en-1-yl]benzene}(pyridine-κ<i>N</i>)platinum(II)","","- C16 H19 Cl2 N O2 Pt -","- C16 H19 Cl2 N O2 Pt -","- C64 H76 Cl8 N4 O8 Pt4 -","4","1","SU4003","Bui, Thi Yen Hang; Nguyen Thi Thanh, Chi; Van Meervelt, Luc","<i>trans</i>-Dichlorido{3,4-dimethoxy-2-[(2,3-η)-prop-2-en-1-yl]benzene}(pyridine-κ<i>N</i>)platinum(II)","IUCrData","2016","1","1","x152176","","10.1107/S2414314615021768","","","0.71073","MoKα","","0.0285","0.0242","","","0.0485","0.0511","","","","","","1.11","","","","has coordinates,has disorder,has Fobs","177524","2020-10-21","18:00:00",""
"1542477","7.0474","0.0003","9.7775","0.0005","12.8695","0.0006","71.744","0.003","89.177","0.004","72.582","0.004","800.44","0.07","170","2","170","2","","","","","","","","4","P -1","-P 1","2","","6-Methyl-2-[(6-methylpyridin-2-yl)amino]pyridinium chloride chloroform monosolvate","","- C13 H15 Cl4 N3 -","- C13 H15 Cl4 N3 -","- C26 H30 Cl8 N6 -","2","1","HB4005","Klass, Michaela; Näther, Christian; Tuczek, Felix","6-Methyl-2-[(6-methylpyridin-2-yl)amino]pyridinium chloride chloroform monosolvate","IUCrData","2016","1","1","x152467","","10.1107/S2414314615024670","","","0.71073","MoKα","","0.0464","0.0366","","","0.0956","0.0998","","","","","","1.068","","","","has coordinates,has Fobs","177525","2020-10-21","18:00:00",""
"1542478","10.5878","0.0015","10.5878","0.0015","4.1528","0.0008","90","","90","","120","","403.17","0.11","293","2","293","2","","","","","","","","4","P -6","P -6","174","","Hexabarium lead(II) dodecafluoride dichloride","","- Ba5.78 Cl2 F12 Pb1.22 -","- Ba5.78 Cl2 F12 Pb1.22 -","- Ba5.78 Cl2 F12 Pb1.22 -","1","0.166667","HB4002","Weil, Matthias","The solid solution Ba~5.78~Pb~1.22~F~12~Cl~2~","IUCrData","2016","1","1","x152427","","10.1107/S241431461502427X","","","0.71073","MoKα","","0.0663","0.0568","","","0.1213","0.1272","","","","","","1.049","","","","has coordinates,has Fobs","177526","2020-10-21","18:00:00",""
"1542479","13.669","0.0007","10.817","0.0006","10.9271","0.0007","90","","109.365","0.007","90","","1524.25","0.16","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","2-(3-(<i>tert</i>-butoxycarbonyl)phenyl)- 3-methylpyridine-1-oxide","<i>tert</i>-Butyl 3-(3-methyl-1-oxidopyridin-1-ium-2-yl)benzoate","","- C17 H19 N O3 -","- C17 H19 N O3 -","- C68 H76 N4 O12 -","4","1","ZS2359","Laus, Gerhard; Kahlenberg, Volker; Nerdinger, Sven; Richter, Frank; Schottenberger, Herwig","<i>tert</i>-Butyl 3-(3-methyl-1-oxidopyridin-1-ium-2-yl)benzoate","IUCrData","2016","1","1","x152490","","10.1107/S2414314615024906","","","1.54184","CuKα","","0.0756","0.0531","","","0.137","0.1577","","","","","","1.036","","","","has coordinates,has Fobs","177528","2020-10-21","18:00:00",""
"1542480","10.2774","0.0007","7.4256","0.0005","17.4094","0.0011","90","","92.472","0.006","90","","1327.38","0.15","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","1-Methyl-3,5-diphenyl-1<i>H</i>-1,2,4-diazaphosphole","","- C15 H13 N2 P -","- C15 H13 N2 P -","- C60 H52 N8 P4 -","4","1","ZS2358","Duan, Lian; Ma, Fengle; Zheng, Wenjun","1-Methyl-3,5-diphenyl-1<i>H</i>-1,2,4-diazaphosphole","IUCrData","2016","1","1","x160083","","10.1107/S2414314616000833","","","0.71073","MoKα","","0.1208","0.0584","","","0.0996","0.1216","","","","","","1.008","","","","has coordinates,has Fobs","177529","2020-10-21","18:00:00",""
"1542481","7.3066","0.0004","7.9672","0.0004","12.8467","0.0007","72.994","0.003","86.5","0.003","87.152","0.003","713.42","0.07","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","Ethyl 2-(5-bromo-2-iodoanilino)cyclopent-1-ene-1-carboxylate","","- C14 H15 Br I N O2 -","- C14 H15 Br I N O2 -","- C28 H30 Br2 I2 N2 O4 -","2","1","WM4001","Barnes, Paul; Storey, John M. D.; Harrison, William T. A.","Ethyl 2-(5-bromo-2-iodoanilino)cyclopent-1-ene-1-carboxylate","IUCrData","2016","1","1","x152178","","10.1107/S2414314615021781","","","0.71073","MoKα","","0.0803","0.0552","","","0.1208","0.1328","","","","","","1.032","","","","has coordinates,has Fobs","177530","2020-10-21","18:00:00",""
"1542482","17.662","0.004","8.2854","0.0017","5.9719","0.0012","90","","91.38","0.03","90","","873.7","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Disodium <i>p</i>-terphenyl-4,4''-disulfonate","","- C18 H12 Na2 O6 S2 -","- C18 H12 Na2 O6 S2 -","- C36 H24 Na4 O12 S4 -","2","0.5","","Albat, Martin; Stock, Norbert","Polymeric structure of disodium <i>p</i>-terphenyl-4,4''-disulfonate [Na~2~(O~3~S-C~6~H~4~-C~6~H~4~-C~6~H~4~-SO~3~]","IUCrData","2016","1","1","x160039","","10.1107/S2414314616000390","","","0.71073","MoKα","","0.0986","0.0483","","","0.0937","0.1031","","","","","","1.049","","","","has coordinates,has Fobs","177531","2020-10-21","18:00:00",""
"1542483","12.1802","0.0005","7.3646","0.0004","13.9001","0.0008","90","","112.276","0.003","90","","1153.82","0.11","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","[1-(2,5-Dichloroanilino)-5-methyl-1<i>H</i>-1,2,3-triazol-4-yl]methanol","","- C10 H10 Cl2 N4 O -","- C10 H10 Cl2 N4 O -","- C40 H40 Cl8 N16 O4 -","4","1","HB4004","Cunha, Anna C.; Jordão, Alessandro K.; de Souza, Maria C. B. V.; Ferreira, Vitor F.; de Almeida, Maria C. B.; Wardell, James L.; Tiekink, Edward R. T.","[1-(2,5-Dichloroanilino)-5-methyl-1<i>H</i>-1,2,3-triazol-4-yl]methanol","IUCrData","2016","1","1","x152447","","10.1107/S2414314615024475","","","0.71069","MoKα","","0.0654","0.0431","","","0.1053","0.1174","","","","","","1.063","","","","has coordinates,has Fobs","177532","2020-10-21","18:00:00",""
"1542484","5.0283","0.0004","5.058","0.0004","20.8394","0.0018","86.645","0.002","83.338","0.003","68.908","0.005","491.08","0.07","293","2","293","2","","","","","","","","5","P 1","P 1","1","","<i>L</i>-Methionine‒succinic acid (2/1)","","- C14 H28 N2 O8 S2 -","- C14 H28 N2 O8 S2 -","- C14 H28 N2 O8 S2 -","1","1","","Nageshwari, M.; Kumaresan, S.; Caroline, M. Lydia; Mani, G.; Kumari, C. Rathika Thaya; Sudha, S.; Jayaprakash, P.","<small>L</small>-Methionine‒succinic acid (2/1)","IUCrData","2016","1","1","x152459","","10.1107/S2414314615024591","","","0.71073","MoKα","","0.066","0.0634","","","0.1697","0.1711","","","","","","1.114","","","","has coordinates,has Fobs","177533","2020-10-21","18:00:00",""
"1542485","11.2972","0.0008","13.0708","0.001","21.3833","0.0017","90","","98.4","0.002","90","","3123.7","0.4","100","","100","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","<i>cis</i>,<i>trans</i>,<i>cis</i>-1,2,3,4-Tetrakis[2-(ethylsulfanyl)phenyl]cyclobutane","","- C36 H40 S4 -","- C36 H40 S4 -","- C144 H160 S16 -","4","0.5","HB4001","Sohr, Barbara; Glöcklhofer, Florian; Stöger, Berthold; Weil, Matthias; Fröhlich, Johannes","<i>cis</i>,<i>trans</i>,<i>cis</i>-1,2,3,4-Tetrakis[2-(ethylsulfanyl)phenyl]cyclobutane","IUCrData","2016","1","1","x152426","","10.1107/S2414314615024268","","","0.71073","MoKα","","0.0531","0.0409","","","0.0572","0.058","","","","","","3.21","","","","has coordinates,has Fobs","177534","2020-10-21","18:00:00",""
"1542486","16.0067","0.0004","8.9455","0.0001","16.1617","0.0004","90","","128.853","0.004","90","","1802.17","0.12","100","2","100","2","","","","","","","","5","C 1 c 1","C -2yc","9","","9-(5-Bromo-2-hydroxyphenyl)-10-(2-hydroxyethyl)-3,4,6,7-tetrahydroacridine-1,8(2<i>H</i>,5<i>H</i>,9<i>H</i>,10<i>H</i>)-dione","","- C21 H22 Br N O4 -","- C21 H22 Br N O4 -","- C84 H88 Br4 N4 O16 -","4","1","VM4001","Abdelhamid, Antar A.; Mohamed, Shaaban K.; Simpson, Jim","9-(5-Bromo-2-hydroxyphenyl)-10-(2-hydroxyethyl)-3,4,6,7-tetrahydroacridine-1,8(2<i>H</i>,5<i>H</i>,9<i>H</i>,10<i>H</i>)-dione","IUCrData","2016","1","1","x152425","","10.1107/S2414314615024256","","","1.54184","CuKα","","0.0184","0.0183","","","0.0474","0.0474","","","","","","1.056","","","","has coordinates,has disorder","177535","2020-10-21","18:00:00",""
"1542487","7.8958","0.0002","8.0536","0.0002","25.2735","0.0008","90","","97.909","0.002","90","","1591.84","0.08","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","(6-Bromo-2-oxo-2<i>H</i>-chromen-4-yl)methyl diethylcarbamodithioate","","- C15 H16 Br N O2 S2 -","- C15 H16 Br N O2 S2 -","- C60 H64 Br4 N4 O8 S8 -","4","1","BV4001","Vinduvahini, M.; Anitha, B. R.; Kumar, K. Mahesh; Kotresh, O.; Devarajegowda, H. C.","(6-Bromo-2-oxo-2<i>H</i>-chromen-4-yl)methyl diethylcarbamodithioate","IUCrData","2016","1","1","x160015","","10.1107/S2414314616000158","","","0.71073","MoKα","","0.038","0.0303","","","0.0719","0.0744","","","","","","1.036","","","","has coordinates,has Fobs","177536","2020-10-21","18:00:00",""
"1542488","6.907","0.004","10.32","0.007","10.707","0.007","68.331","0.014","81.936","0.015","71.917","0.012","673.9","0.7","200","2","200","2","","","","","","","","7","P -1","-P 1","2","","(Acetato-κ<i>O</i>){2-[(2-aminoethyl-κ<i>N</i>)disulfanyl]ethan-1-aminium}dichloridozinc(II)","","- C6 H16 Cl2 N2 O2 S2 Zn -","- C6 H16 Cl2 N2 O2 S2 Zn -","- C12 H32 Cl4 N4 O4 S4 Zn2 -","2","1","GW2155","Kuwamura, Naoto; Laskar, Payel; Konno, Takumi","(Acetato-κ<i>O</i>){2-[(2-aminoethyl-κ<i>N</i>)disulfanyl]ethanaminium}dichloridozinc(II)","IUCrData","2016","1","1","x160105","","10.1107/S241431461600105X","","","0.71075","MoKα","","0.0639","0.0486","","","0.1174","0.1272","","","","","","1.104","","","","has coordinates,has Fobs","177537","2020-10-21","18:00:00",""
"1542489","6.9841","0.0014","8.3241","0.0018","13.116","0.003","89.276","0.009","75.614","0.009","72.095","0.01","701.2","0.3","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","(<i>Z</i>)-3-Allyl-5-(3-methoxybenzylidene)-2-sulfanylidene-1,3-thiazolidin-4-one","","- C14 H13 N O2 S2 -","- C14 H13 N O2 S2 -","- C28 H26 N2 O4 S4 -","2","1","IS4001","El Ajlaoui, Rahhal; Rakib, El Mostapha; Mojahidi, Souad; Saadi, Mohamed; El Ammari, Lahcen","(<i>Z</i>)-3-Allyl-5-(3-methoxybenzylidene)-2-sulfanylidene-1,3-thiazolidin-4-one","IUCrData","2016","1","1","x160052","","10.1107/S2414314616000523","","","0.71073","MoKα","","0.0517","0.0392","","","0.1051","0.1171","","","","","","1.023","","","","has coordinates,has Fobs","177538","2020-10-21","18:00:00",""
"1542490","7.621","0.005","10.753","0.005","13.138","0.005","92.102","0.005","93.806","0.005","91.275","0.005","1073.2","1","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","Diethyl 4-(3-chlorophenyl)-2-methyl-6-phenyl-1,4-dihydropyridine-3,5-dicarboxylate","","- C24 H24 Cl N O4 -","- C24 H24 Cl N O4 -","- C48 H48 Cl2 N2 O8 -","2","1","HB4010","Ahamed, F. M. Mashood; Padusha, M. Syed Ali; Gunasekaran, B.","Diethyl 4-(3-chlorophenyl)-2-methyl-6-phenyl-1,4-dihydropyridine-3,5-dicarboxylate","IUCrData","2016","1","1","x160155","","10.1107/S2414314616001553","","","0.71073","MoKα","","0.0599","0.0439","","","0.1107","0.1221","","","","","","1.019","","","","has coordinates,has Fobs","177539","2020-10-21","18:00:00",""
"1542491","7.4235","0.0004","9.6339","0.0004","7.5209","0.0003","90","","99.728","0.002","90","","530.14","0.04","92","2","92","2","","","","","","","","5","P 1 21 1","P 2yb","4","","2-Chloro-1-ferrocenylethanone","","- C12 H11 Cl Fe O -","- C12 H11 Cl Fe O -","- C24 H22 Cl2 Fe2 O2 -","2","1","WM4003","McAdam, C. John; Simpson, Jim","2-Chloro-1-ferrocenylethanone","IUCrData","2016","1","1","x152177","","10.1107/S241431461502177X","","","0.71073","MoKα","","0.021","0.0206","","","0.0524","0.0527","","","","","","1.061","","","","has coordinates,has Fobs","177540","2020-10-21","18:00:00",""
"1542492","20.944","0.006","9.316","0.003","24.309","0.007","90","","90","","90","","4743","2","90","","90","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","3,5,7-Triacetoxy-2-(3,4-diacetoxyphenyl)-4<i>H</i>-1-benzopyran-4-one","","- C25 H20 O12 -","- C25 H20 O12 -","- C200 H160 O96 -","8","1","ZS2360","Moriguchi, Tetsuji; Sakao, Kozue; Hou, De-Xing; Yoza, Kenji","3,5,7-Triacetoxy-2-(3,4-diacetoxyphenyl)-4<i>H</i>-1-benzopyran-4-one","IUCrData","2016","1","1","x160028","","10.1107/S2414314616000286","","","0.71073","MoKα","","0.0838","0.0616","","","0.156","0.1789","","","","","","1.21","","","","has coordinates,has disorder,has Fobs","177541","2020-10-21","18:00:00",""
"1542493","20.7072","0.0008","20.4462","0.0008","12.8292","0.0005","90","","107.294","0.001","90","","5186.1","0.4","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","<i>N</i>,<i>N</i>,<i>N</i>-Triethylethanaminium 5,11,17,23-tetra-<i>tert</i>-butyl-25-cyanomethoxy-26,28-dihydroxy-27-oxido-2,8,14,20-tetrathiacalix[4]arene","","- C50 H68 N2 O4 S4 -","- C50 H68 N2 O4 S4 -","- C200 H272 N8 O16 S16 -","4","1","SU4010","Omran, Omran A.; Mague, Joel T.; Mohamed, Shaaban K.; Akkurt, Mehmet; Mohamed, Alaa F.","<i>N</i>,<i>N</i>,<i>N</i>-Triethylethanaminium 5,11,17,23-tetra-<i>tert</i>-butyl-25-cyanomethoxy-26,28-dihydroxy-27-oxido-2,8,14,20-tetrathiacalix[4]arene: a molecular salt","IUCrData","2016","1","1","x160115","","10.1107/S2414314616001152","","","1.54178","CuKα","","0.0506","0.0462","","","0.1317","0.136","","","","","","1.023","","","","has coordinates,has Fobs","177542","2020-10-21","18:00:00",""
"1542494","10.922","0.005","11.661","0.005","13.641","0.006","86.619","0.005","79.75","0.005","62.441","0.005","1515.1","1.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","(η4-NBD)Ru(η2-3,5-tBu2dp)2","(η^4^-Bicyclo[2.2.1]hepta-2,5-diene)bis(η^2^-3,5-di-<i>tert</i>-butyl-1,2,4-diazaphospholido)ruthenium","","- C27 H44 N4 P2 Ru -","- C27 H44 N4 P2 Ru -","- C54 H88 N8 P4 Ru2 -","2","1","LH4001","Ren, Lili; Zheng, Wenjun","(η^4^-Bicyclo[2.2.1]hepta-2,5-diene)bis(η^2^-3,5-di-<i>tert</i>-butyl-1,2,4-diazaphospholido)ruthenium","IUCrData","2016","1","1","x160110","","10.1107/S2414314616001103","","","0.71073","MoKα","","0.055","0.0405","","","0.0965","0.1024","","","","","","1","","","","has coordinates,has disorder,has Fobs","177543","2020-10-21","18:00:00",""
"1542495","7.4556","0.0011","12.9055","0.0019","16.334","0.002","90","","95.063","0.005","90","","1565.5","0.4","120","2","120.15","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","6-Bromo-1<i>H</i>-indole-2,3-dione hemihydrate","","- C8 H5 Br N O2.5 -","- C8 H5 Br N O2.5 -","- C64 H40 Br8 N8 O20 -","8","1","TK4001","Turbitt, John R.; Golen, James A.; Manke, David R.","6-Bromo-1<i>H</i>-indole-2,3-dione hemihydrate","IUCrData","2016","1","1","x152434","","10.1107/S2414314615024347","","","0.71073","MoKα","","0.0298","0.0237","","","0.0617","0.0651","","","","","","1.085","","","","has coordinates,has Fobs","177544","2020-10-21","18:00:00",""
"1542496","7.351","0.003","12.452","0.004","13.423","0.005","90","","90","","90","","1228.7","0.8","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","3-(2-Hydroxyethyl)-3-methyl-1-(4-methylbenzoyl)thiourea","","- C12 H16 N2 O2 S -","- C12 H16 N2 O2 S -","- C48 H64 N8 O8 S4 -","4","1","VM4002","Jamaludin, Nazzatush Shimar; Halim, Siti Nadiah Abdul; Tiekink, Edward R. T.","3-(2-Hydroxyethyl)-3-methyl-1-(4-methylbenzoyl)thiourea","IUCrData","2016","1","1","x152457","","10.1107/S2414314615024578","","","0.71073","MoKα","","0.0337","0.0309","","","0.0715","0.0733","","","","","","1.017","","","","has coordinates,has Fobs","177545","2020-10-21","18:00:00",""
"1542497","12.1691","0.0009","13.1263","0.001","12.275","0.0009","90","","99.818","0.001","90","","1932","0.2","120","2","120","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","<i>syn</i>-6,15-Dihydroxy-2,11-dithia[3.3]metacyclophane ethyl acetate monosolvate","","- C20 H24 O4 S2 -","- C20 H24 O4 S2 -","- C80 H96 O16 S8 -","4","1","BH4001","Moriguchi, Tetsuji; Miyamoto, Daisuke; Jalli, Ventakaprasad; Yoza, Kenji; Tsuge, Akihiko","<i>syn</i>-6,15-Dihydroxy-2,11-dithia[3.3]metacyclophane ethyl acetate monosolvate","IUCrData","2016","1","1","x160082","","10.1107/S2414314616000821","","","0.71073","MoKα","","0.0623","0.0431","","","0.092","0.0996","","","","","","1","","","","has coordinates,has Fobs","177546","2020-10-21","18:00:00",""
"1542498","7.1879","0.0012","34.402","0.006","17.855","0.003","90","","91.042","0.003","90","","4414.4","1.3","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H33 N O Si -","- C24 H33 N O Si -","- C192 H264 N8 O8 Si8 -","8","2","","Shaikh, Aslam C.; Shinde, Dinesh R.; Patil, Nitin T.","Gold vs Rhodium Catalysis: Tuning Reactivity through Catalyst Control in the C-H Alkynylation of Isoquinolones.","Organic letters","2016","18","5","1056","","10.1021/acs.orglett.6b00175","","","0.71073","MoKα","","0.0977","0.0746","","","0.2182","0.2429","","","","","","1.058","","","","has coordinates,has disorder","177454","2020-10-21","18:00:00",""
"1542499","8.162","0.005","11.461","0.009","12.471","0.01","82.763","0.01","71.881","0.014","79.447","0.019","1087","1.4","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C21 H27 Br N O Si -","- C21 H27 Br N O Si -","- C42 H54 Br2 N2 O2 Si2 -","2","1","","Shaikh, Aslam C.; Shinde, Dinesh R.; Patil, Nitin T.","Gold vs Rhodium Catalysis: Tuning Reactivity through Catalyst Control in the C-H Alkynylation of Isoquinolones.","Organic letters","2016","18","5","1056","","10.1021/acs.orglett.6b00175","","","0.71073","MoKα","","0.0756","0.0516","","","0.1343","0.1529","","","","","","1.005","","","","has coordinates","177454","2020-10-21","18:00:00",""
"1542500","16.1198","0.0013","12.3819","0.001","15.1359","0.0012","90","","116.573","0.002","90","","2701.9","0.4","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C16 H14 Br N -","- C16 H14 Br N -","- C128 H112 Br8 N8 -","8","1","","Jhang, Yuan-Ye; Fan-Chiang, Tai-Ting; Huang, Jun-Min; Hsieh, Jen-Chieh","Copper-Catalyzed Annulation: A Method for the Systematic Synthesis of Phenanthridinium Bromide.","Organic letters","2016","18","5","1154","","10.1021/acs.orglett.6b00269","","","0.71073","MoKα","","0.0708","0.0392","","","0.0746","0.0828","","","","","","0.934","","","","has coordinates","177457","2020-10-21","18:00:00",""
"1542501","7.4548","0.0003","10.863","0.0005","19.6508","0.0009","90","","90","","90","","1591.35","0.12","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C17 H20 Br N O -","- C17 H20 Br N O -","- C68 H80 Br4 N4 O4 -","4","1","","Jhang, Yuan-Ye; Fan-Chiang, Tai-Ting; Huang, Jun-Min; Hsieh, Jen-Chieh","Copper-Catalyzed Annulation: A Method for the Systematic Synthesis of Phenanthridinium Bromide.","Organic letters","2016","18","5","1154","","10.1021/acs.orglett.6b00269","","","0.71073","MoKα","","0.0509","0.0343","","","0.0667","0.0716","","","","","","0.994","","","","has coordinates","177457","2020-10-21","18:00:00",""
"1542502","12.209","0.0005","20.3796","0.0014","7.4335","0.0009","90","","95.98","0.004","90","","1839.5","0.3","296","2","296","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","(5-Methyl-benzofuran-3-yl)-acetic acid","2-(5-Methyl-1-benzofuran-3-yl)acetic acid","","- C11 H10 O3 -","- C11 H10 O3 -","- C88 H80 O24 -","8","2","","Ramprasad, N.; Gowda, Ramakrishna; Gowda, K. V. Arjuna; Basanagouda, Mahantesha","2-(5-Methyl-1-benzofuran-3-yl)acetic acid","IUCrData","2016","1","2","x160170","","10.1107/S241431461600170X","","","0.71073","MoKα","","0.0828","0.0414","","","0.0943","0.1149","","","","","","1.016","","","","has coordinates,has Fobs","177480","2020-10-21","18:00:00",""
"1542503","22.135","0.004","8.468","0.0016","8.6198","0.0017","90","","93.287","0.002","90","","1613","0.5","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2,5-Bis(3,4-dimethoxyphenyl)-1,3,4-oxadiazole","","- C18 H20 N2 O5 -","- C18 H18 N2 O5 -","- C72 H72 N8 O20 -","4","1","HB4011","Moriguchi, Tetsuji; Kamoto, Ryota; Jalli, Venkataprasad; Tsuge, Akihiko","2,5-Bis(3,4-dimethoxyphenyl)-1,3,4-oxadiazole","IUCrData","2016","1","2","x160167","","10.1107/S241431461600167X","","","0.71073","MoKα","","0.0368","0.0309","","","0.0883","0.1014","","","","","","1.109","","","","has coordinates,has Fobs","177481","2020-10-21","18:00:00",""
"1542504","5.1565","0.0006","12.4881","0.0009","15.1083","0.0012","90","","90","","90","","972.9","0.15","193","2","193","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","1-Ethyl-3-nitroquinolin-4(1<i>H</i>)-one","","- C11 H10 N2 O3 -","- C11 H10 N2 O3 -","- C44 H40 N8 O12 -","4","1","","Limbach, Daniel; Stengelin, Elena; Schollmeyer, Dieter; Detert, Heiner","1-Ethyl-3-nitroquinolin-4(1<i>H</i>)-one","IUCrData","2016","1","2","x160125","","10.1107/S2414314616001255","","","0.71073","MoKα","","0.0384","0.0331","","","0.0836","0.0879","","","","","","1.048","","","","has coordinates,has Fobs","177482","2020-10-21","18:00:00",""
"1542505","8.877","0.001","14.533","0.002","17.748","0.002","90","","90","","90","","2289.7","0.5","299","2","299","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","Limonin","(4a<i>S</i>,14b<i>R</i>)-12-(Furan-3-yl)-6,6,8a,12a-tetramethyldecahydro-1<i>H</i>,3<i>H</i>-oxireno[2,3-<i>d</i>]pyrano[4',3':3,3a]isobenzofuro[5,4-<i>f</i>]isochromene-3,8,10(6<i>H</i>,9a<i>H</i>)-trione","","- C26 H30 O8 -","- C26 H30 O8 -","- C104 H120 O32 -","4","1","SU5274","Bauri, A. K.; Foro, Sabine; Nhu, Quynh Nguyen Do","Limonin isolated from the seeds of <i>Citrus limetta</i> (Indian sweet lemon)","IUCrData","2016","1","2","x160172","","10.1107/S2414314616001723","","","1.5418","CuKα","","0.044","0.036","","","0.106","0.1103","","","","","","1.104","","","","has coordinates,has Fobs","177483","2020-10-21","18:00:00",""
"1542506","11.6767","0.0003","16.2058","0.0003","9.1417","0.0002","90","","99.486","0.002","90","","1706.23","0.07","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(7,8-Dimethyl-2-oxo-2<i>H</i>-chromen-4-yl)methyl piperidine-1-carbodithioate","","- C18 H21 N O2 S2 -","- C18 H21 N O2 S2 -","- C72 H84 N4 O8 S8 -","4","1","HB4015","Ravi, A. J.; Kumar, K. Mahesh; Devarajegowda, H. C.","(7,8-Dimethyl-2-oxo-2<i>H</i>-chromen-4-yl)methyl piperidine-1-carbodithioate","IUCrData","2016","1","2","x160171","","10.1107/S2414314616001711","","","0.71073","MoKα","","0.0862","0.0487","","","0.1233","0.1404","","","","","","1.057","","","","has coordinates,has Fobs","177484","2020-10-21","18:00:00",""
"1542507","5.4965","0.0005","11.9528","0.001","17.7702","0.0018","90","","95.354","0.003","90","","1162.38","0.19","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","6<i>H</i>-Dipyrido[1,2-<i>a</i>:2',1'-<i>d</i>][1,3,5]triazin-5-ium bromide monohydrate","","- C11 H12 Br N3 O -","- C11 H12 Br N3 O -","- C44 H48 Br4 N12 O4 -","4","1","","Jiang, Xian-Wu; Zhang, Heng-Qiang; Sun, Zhuo-Dong; Shan, Yong-Kui","6<i>H</i>-Dipyrido[1,2-<i>a</i>:2',1'-<i>d</i>][1,3,5]triazin-5-ium bromide monohydrate","IUCrData","2016","1","2","x160180","","10.1107/S2414314616001802","","","0.71073","MoKα","","0.0666","0.0386","","","0.0789","0.0882","","","","","","1.018","","","","has coordinates,has Fobs","177485","2020-10-21","18:00:00",""
"1542508","10.9608","0.0009","9.5199","0.0008","14.0262","0.0011","90","","95.398","0.001","90","","1457.1","0.2","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","4-(3-Chlorophenyl)-1-(3-chloropropyl)piperazin-1-ium chloride","","- C13 H19 Cl3 N2 -","- C13 H19 Cl3 N2 -","- C52 H76 Cl12 N8 -","4","1","HB4012","Bhat, Muzzaffar Ahmad; Srivastava, Sanjay K.; Sharma, Pooja; Chopra, Ambika; Butcher, Ray J.","4-(3-Chlorophenyl)-1-(3-chloropropyl)piperazin-1-ium chloride redetermined at 100K","IUCrData","2016","1","2","x160168","","10.1107/S2414314616001681","","","0.71073","MoKα","","0.0328","0.0296","","","0.0811","0.0833","","","","","","1.075","","","","has coordinates,has Fobs","177486","2020-10-21","18:00:00",""
"1542509","6.9573","0.0002","7.9838","0.0002","15.6037","0.0004","75.485","0.002","87.122","0.001","75.763","0.001","813.22","0.04","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","(5,7-Dimethyl-2-oxo-2<i>H</i>-chromen-4-yl)methyl morpholine-4-carbodithioate","","- C17 H19 N O3 S2 -","- C17 H19 N O3 S2 -","- C34 H38 N2 O6 S4 -","2","1","HB4013","Anitha, B. R.; Roopashree, K. R.; Kumar, K. Mahesh; Ravi, A. J.; Devarajegowda, H. C.","(5,7-Dimethyl-2-oxo-2<i>H</i>-chromen-4-yl)methyl morpholine-4-carbodithioate","IUCrData","2016","1","2","x160169","","10.1107/S2414314616001693","","","0.71073","MoKα","","0.0348","0.0298","","","0.0826","0.0844","","","","","","1.077","","","","has coordinates,has Fobs","177487","2020-10-21","18:00:00",""
"1542510","14.1885","0.0005","17.5801","0.0007","22.2543","0.0009","72.911","0.005","86.243","0.006","80.123","0.006","5226.6","0.4","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","<i>N</i>,<i>N</i>,<i>N</i>',<i>N</i>',<i>N</i>''-pentamethyl-<i>N</i>''- [2-(trimethylazaniumyl)ethyl]guanidinium bis(tetraphenylborate) acetone monosolvate","","- C62 H74 B2 N4 O -","- C62 H74 B2 N4 O -","- C248 H296 B8 N16 O4 -","4","2","ZL4004","Tiritiris, Ioannis; Kantlehner, Willi","<i>N</i>,<i>N</i>,<i>N</i>',<i>N</i>',<i>N</i>''-Pentamethyl-<i>N</i>''-[2-(trimethylazaniumyl)ethyl]guanidinium bis(tetraphenylborate) acetone monosolvate","IUCrData","2016","1","2","x160231","","10.1107/S2414314616002315","","","0.71073","MoKα","","0.0694","0.0462","","","0.0975","0.1085","","","","","","1.027","","","","has coordinates,has disorder,has Fobs","177488","2020-10-21","18:00:00",""
"1542511","7.344","0.001","14.831","0.001","15.267","0.001","79.094","0.01","79.627","0.01","87.508","0.01","1606.1","0.3","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","<i>N</i>-Ferrocenymethyl-<i>N</i>-phenylacetamide","","- C19 H19 Fe N O -","- C19 H19 Fe N O -","- C76 H76 Fe4 N4 O4 -","4","2","SJ5494","Khelef, Abdelhamid; Mahboub, Mohammed Sadok; Lanez, Touhami","<i>N</i>-Ferrocenymethyl-<i>N</i>-phenylacetamide","IUCrData","2016","1","2","x160203","","10.1107/S2414314616002030","","","0.71073","MoKα","","0.0673","0.0424","","","0.1003","0.1148","","","","","","1.023","","","","has coordinates,has Fobs","177489","2020-10-21","18:00:00",""
"1542512","7.6138","0.0009","13.9658","0.0017","7.3866","0.001","90","","91.249","0.005","90","","785.25","0.17","298","2","297.68","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","4-Iodo-1<i>H</i>-indole-2,3-dione","","- C8 H4 I N O2 -","- C8 H4 I N O2 -","- C32 H16 I4 N4 O8 -","4","1","SU4013","Golen, James A.; Manke, David R.","4-Iodo-1<i>H</i>-indole-2,3-dione","IUCrData","2016","1","2","x160215","","10.1107/S2414314616002157","","","0.71073","MoKα","","0.0437","0.0332","","","0.0761","0.0819","","","","","","1.193","","","","has coordinates,has Fobs","177490","2020-10-21","18:00:00",""
"1542513","11.1568","0.0006","9.7852","0.0004","12.5715","0.0006","90","","107.055","0.01","90","","1312.09","0.13","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","<i>catena</i>-Poly[silver(I)-μ-[1-(pyridin-2-ylmethyl-κ<i>N</i>)-3-(3-sulfonatopropyl)imidazolin-2-ylidene]-κ<i>C</i>^2^]","","- C12 H14 Ag N3 O3 S -","- C12 H14 Ag N3 O3 S -","- C48 H56 Ag4 N12 O12 S4 -","4","1","HB4016","Rietzler, Barbara; Laus, Gerhard; Kahlenberg, Volker; Schottenberger, Herwig","<i>catena</i>-Poly[silver(I)-μ-[1-(pyridin-2-ylmethyl-κ<i>N</i>)-3-(3-sulfonatopropyl)imidazolin-2-ylidene]-κ<i>C</i>^2^]","IUCrData","2016","1","2","x160245","","10.1107/S2414314616002455","","","0.71073","MoKα","","0.0464","0.0315","","","0.0605","0.0657","","","","","","1.024","","","","has coordinates,has Fobs","177491","2020-10-21","18:00:00",""
"1542514","6.588","0.002","16.582","0.005","19.448","0.007","90","","95.051","0.007","90","","2116.3","1.2","200","2","200","2","","","","","","","","4","P 1 21 1","P 2yb","4","(3,5-Di-<i>tert</i>-butyl-2-hydroxybenzyl)[(<i>R</i>)-1-phenylethyl]amine","2,4-Di-<i>tert</i>-butyl-6-({[(<i>R</i>)-1-phenylethyl]amino}methyl)phenol","","- C23 H33 N O -","- C23 H33 N O -","- C92 H132 N4 O4 -","4","2","HB4018","Zhang, Fangqin; Zhang, Yongbin; Liu, Diansheng","2,4-Di-<i>tert</i>-butyl-6-({[(<i>R</i>)-1-phenylethyl]amino}methyl)phenol","IUCrData","2016","1","2","x160205","","10.1107/S2414314616002054","","","0.71073","MoKα","","0.1689","0.0844","","","0.1694","0.2116","","","","","","1.068","","","","has coordinates,has disorder,has Fobs","177492","2020-10-21","18:00:00",""
"1542515","6.9957","0.0007","12.0819","0.001","20.904","0.002","90","","97.296","0.01","90","","1752.5","0.3","295","2","295","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Bis(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')platinum(II) bis(3-carboxybenzenesulfonate) dihydrate","","- C38 H30 N4 O12 Pt S2 -","- C38 H30 N4 O12 Pt S2 -","- C76 H60 N8 O24 Pt2 S4 -","2","0.5","IM4001","Liu, Jing; Zhu, Long-Guan","Bis(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')platinum(II) bis(3-carboxybenzenesulfonate) dihydrate","IUCrData","2016","1","2","x160211","","10.1107/S241431461600211X","","","0.71073","MoKα","","0.0786","0.0496","","","0.1105","0.1216","","","","","","1.159","","","","has coordinates,has Fobs","177493","2020-10-21","18:00:00",""
"1542516","6.24258","0.00011","11.4063","0.0002","26.2386","0.0005","90","","90.1171","0.0007","90","","1868.31","0.06","173","","173","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Benzyl 3-(3,4,5-trimethoxybenzylidene)dithiocarbazate","","- C18 H20 N2 O3 S2 -","- C18 H20 N2 O3 S2 -","- C72 H80 N8 O12 S8 -","4","1","","Islam, M. A. A. A. A.; Sheikh, M. C.; Mahmud, A. A.; Miyatake, R.; Zangrando, E.","Benzyl 3-(3,4,5-trimethoxybenzylidene)dithiocarbazate","IUCrData","2016","1","2","x160190","","10.1107/S2414314616001905","","","1.54187","CuKα","","","0.0373","","","","0.0978","","","","","","1.059","","","","has coordinates,has Fobs","177494","2020-10-21","18:00:00",""
"1542517","4.988","0.0003","5.5522","0.0003","24.2578","0.0012","90","","90","","90","","671.8","0.06","298","2","297.95","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","6-Fluoro-1<i>H</i>-indole-2,3-dione","","- C8 H4 F N O2 -","- C8 H4 F N O2 -","- C32 H16 F4 N4 O8 -","4","1","SJ4011","Golen, James A.; Manke, David R.","6-Fluoro-1<i>H</i>-indole-2,3-dione","IUCrData","2016","1","2","x160165","","10.1107/S2414314616001656","","","1.54178","CuKα","","0.039","0.0386","","","0.1112","0.1115","","","","","","1.1","","","","has coordinates,has Fobs","177495","2020-10-21","18:00:00",""
"1542518","13.8527","0.0005","10.4892","0.0004","16.7462","0.0006","90","","103.034","0.002","90","","2370.6","0.15","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","<i>N</i>,<i>N</i>,<i>N</i>',<i>N</i>',<i>N</i>'',<i>N</i>'',<i>N</i>''',<i>N</i>'''-Octamethylbut-2-yne)bisamidinium bis(tetraphenylborate)","","- C60 H64 B2 N4 -","- C60 H64 B2 N4 -","- C120 H128 B4 N8 -","2","0.5","HB4007","Tiritiris, Ioannis; Kress, Ralf; Kantlehner, Willi","<i>N</i>,<i>N</i>,<i>N</i>',<i>N</i>',<i>N</i>'',<i>N</i>'',<i>N</i>''',<i>N</i>'''-Octamethyl(but-2-yne)bisamidinium bis(tetraphenylborate)","IUCrData","2016","1","2","x160166","","10.1107/S2414314616001668","","","0.71073","MoKα","","0.051","0.0401","","","0.105","0.1125","","","","","","1.018","","","","has coordinates,has Fobs","177496","2020-10-21","18:00:00",""
"1542519","25.1411","0.0018","5.6851","0.0004","5.1593","0.0003","90","","90","","90","","737.42","0.09","120","2","120.15","","","","","","","","","5","P n a 21","P 2c -2n","33","","5-Bromo-1<i>H</i>-indole-2,3-dione","","- C8 H4 Br N O2 -","- C8 H4 Br N O2 -","- C32 H16 Br4 N4 O8 -","4","1","FF4002","Gurung, Sita; Golen, James A.; Manke, David R.","5-Bromo-1<i>H</i>-indole-2,3-dione","IUCrData","2016","1","2","x160177","","10.1107/S2414314616001772","","","0.71073","MoKα","","0.0297","0.025","","","0.053","0.0543","","","","","","1.121","","","","has coordinates,has Fobs","177497","2020-10-21","18:00:00",""
"1542520","11.4419","0.0003","14.1461","0.0005","18.8503","0.0009","110.635","0.0013","101.824","0.001","97.8879","0.0008","2720.7","0.18","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","<i>N</i>,<i>N</i>,<i>N</i>',<i>N</i>'-Tetramethyl-<i>N</i>''-[2-(trimethylazaniumyl)ethyl]guanidinium bis(tetraphenylborate) acetone disolvate","","- C64 H78 B2 N4 O2 -","- C64 H78 B2 N4 O2 -","- C128 H156 B4 N8 O4 -","2","1","ZL4003","Tiritiris, Ioannis; Kantlehner, Willi","<i>N</i>,<i>N</i>,<i>N</i>',<i>N</i>'-Tetramethyl-<i>N</i>''-[2-(trimethylazaniumyl)ethyl]guanidinium bis(tetraphenylborate) acetone disolvate","IUCrData","2016","1","2","x160129","","10.1107/S2414314616001292","","","0.71073","MoKα","","0.067","0.0501","","","0.1265","0.1382","","","","","","1.022","","","","has coordinates,has disorder,has Fobs","177498","2020-10-21","18:00:00",""
"1542521","8.8945","0.0002","21.16","0.0005","9.0481","0.0002","90","","91.63","0.0019","90","","1702.23","0.07","99.9","0.3","99.9","0.3","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C21 H24 O3 -","- C21 H24 O3 -","- C84 H96 O12 -","4","2","","Hammer, Niels; Leth, Lars A.; Stiller, Julian; Jensen, Magnus E.; Jørgensen, Karl Anker","Oxadendralenes in asymmetric organocatalysis for the construction of tetrahydroisochromenes","Chem. Sci.","2016","7","6","3649","","10.1039/C6SC00185H","","x-ray","0.71073","MoKα","","0.0451","0.0368","","","0.0783","0.0847","","","","","","1.074","","","","has coordinates","185132","2020-10-21","18:00:00",""
"1542522","7.503","0.003","10.304","0.005","10.253","0.005","90","","92.82","0.04","90","","791.7","0.6","293.02","0.1","293.02","0.1","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C18 H20 O3 -","- C18 H20 O3 -","- C36 H40 O6 -","2","1","","Hammer, Niels; Leth, Lars A.; Stiller, Julian; Jensen, Magnus E.; Jørgensen, Karl Anker","Oxadendralenes in asymmetric organocatalysis for the construction of tetrahydroisochromenes","Chem. Sci.","2016","7","6","3649","","10.1039/C6SC00185H","","x-ray","0.71073","MoKα","","0.2768","0.104","","","0.2241","0.3441","","","","","","0.959","","","","has coordinates","278046","2022-09-21","15:45:40",""
"1542523","7.5376","0.0006","10.5784","0.001","23.8774","0.0019","90","","90","","90","","1903.9","0.3","100","0.2","100","0.2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C22 H28 O3 -","- C22 H28 O3 -","- C88 H112 O12 -","4","1","","Hammer, Niels; Leth, Lars A.; Stiller, Julian; Jensen, Magnus E.; Jørgensen, Karl Anker","Oxadendralenes in asymmetric organocatalysis for the construction of tetrahydroisochromenes","Chem. Sci.","2016","7","6","3649","","10.1039/C6SC00185H","","x-ray","0.71073","MoKα","","0.1427","0.0645","","","0.0978","0.13","","","","","","1.0032","","","","has coordinates","278046","2022-09-21","15:45:40",""
"1542524","6.1506","0.0018","7.564","0.002","28.362","0.008","90","","90","","90","","1319.5","0.6","100","2","100.15","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C15 H13 Br O2 -","- C15 H13 Br O2 -","- C60 H52 Br4 O8 -","4","1","","Hammer, Niels; Leth, Lars A.; Stiller, Julian; Jensen, Magnus E.; Jørgensen, Karl Anker","Oxadendralenes in asymmetric organocatalysis for the construction of tetrahydroisochromenes","Chem. Sci.","2016","7","6","3649","","10.1039/C6SC00185H","","x-ray","0.56086","AgKα","","0.047","0.0357","","","0.0693","0.0739","","","","","","1.003","","","","has coordinates","185132","2020-10-21","18:00:00",""
"1542525","8.6911","0.0005","9.1112","0.0004","21.5901","0.001","90","","90","","90","","1709.64","0.15","100.01","0.16","100.01","0.16","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C20 H24 O3 -","- C20 H24 O3 -","- C80 H96 O12 -","4","1","","Hammer, Niels; Leth, Lars A.; Stiller, Julian; Jensen, Magnus E.; Jørgensen, Karl Anker","Oxadendralenes in asymmetric organocatalysis for the construction of tetrahydroisochromenes","Chem. Sci.","2016","7","6","3649","","10.1039/C6SC00185H","","x-ray","0.71073","MoKα","","0.1907","0.0698","","","0.1552","0.2308","","","","","","0.9793","","","","has coordinates","278046","2022-09-21","15:45:40",""
"1542526","7.0175","0.0004","11.1406","0.0006","11.9874","0.0006","90","","90","","90","","937.16","0.09","110","14","110","14","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C12 H10 O2 -","- C12 H10 O2 -","- C48 H40 O8 -","4","1","","Hammer, Niels; Leth, Lars A.; Stiller, Julian; Jensen, Magnus E.; Jørgensen, Karl Anker","Oxadendralenes in asymmetric organocatalysis for the construction of tetrahydroisochromenes","Chem. Sci.","2016","7","6","3649","","10.1039/C6SC00185H","","x-ray","0.71073","MoKα","","0.076","0.0521","","","0.1119","0.1312","","","","","","1.067","","","","has coordinates","185132","2020-10-21","18:00:00",""
"1542527","22.825","0.003","22.825","0.003","22.825","0.003","90","","90","","90","","11891","3","","","","","","","","","","","","4","P a -3","-P 2ac 2ab 3","205","","","","- C72 H45 Ir N3 -","- C72 H45 Ir N3 -","- C576 H360 Ir8 N24 -","8","0.333333","","Pan, Long; Xu, Meng-Ying; Feng, Li-Juan; Chen, Qi; He, Yu-Jian; Han, Bao-Hang","Conjugated microporous polycarbazole containing tris(2-phenylpyridine)iridium(iii) complexes: phosphorescence, porosity, and heterogeneous organic photocatalysis","Polym. Chem.","2016","7","12","2299","","10.1039/C5PY01955A","","","","","","0.09","","","","","","","","","","","","","","","has coordinates","181808","2020-10-21","18:00:00",""
"1542528","6.8759","0.0004","8.2563","0.0005","12.0403","0.0007","109.156","0.002","103.979","0.002","91.485","0.002","622.41","0.06","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","(3<i>E</i>)-5-Chloro-3-(2-phenylhydrazinylidene)-1<i>H</i>-indol-2(3<i>H</i>)-one","","- C14 H10 Cl N3 O -","- C14 H10 Cl N3 O -","- C28 H20 Cl2 N6 O2 -","2","1","","Bittencourt, Viviane C. D.; Almeida, Roberta M. F. C.; Bortoluzzi, Adailton J.; Gervini, Vanessa C.; de Oliveira, Adriano Bof","(3<i>E</i>)-5-Chloro-3-(2-phenylhydrazinylidene)-1<i>H</i>-indol-2(3<i>H</i>)-one","IUCrData","2016","1","2","x160258","","10.1107/S2414314616002583","","","0.71073","MoKα","","0.046","0.0345","","","0.0985","0.1036","","","","","","1.093","","","","has coordinates,has Fobs","176769","2020-10-21","18:00:00",""
"1542529","3.832","0.0007","13.072","0.002","15.004","0.003","90","","91.917","0.007","90","","751.2","0.2","120","2","120.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","7-Bromo-1<i>H</i>-indole-2,3-dione","","- C8 H4 Br N O2 -","- C8 H4 Br N O2 -","- C32 H16 Br4 N4 O8 -","4","1","VM4006","Golen, James A.; Manke, David R.","7-Bromo-1<i>H</i>-indole-2,3-dione","IUCrData","2016","1","2","x160268","","10.1107/S2414314616002686","","","0.71073","MoKα","","0.0344","0.0286","","","0.0694","0.072","","","","","","1.185","","","","has coordinates,has Fobs","176770","2020-10-21","18:00:00",""
"1542530","9.4495","0.0006","10.0608","0.0006","12.3484","0.0008","109.133","0.001","91.964","0.001","106.201","0.001","1054.79","0.11","295","2","295","2","","","","","","","","4","P -1","-P 1","2","","5-[2,4-Dihydroxy-5-(5-hydroxy-2,4,6-trioxo-1,3-diazinan-5-yl)-3-methoxyphenyl]-5-hydroxy-1,3-diazinane-2,4,6-trione pentahydrate","","- C15 H22 N4 O16 -","- C15 H22 N4 O16 -","- C30 H44 N8 O32 -","2","1","","Bengiat, Ravell; Klein, Asne; Gil, Maayan; Bogoslavsky, Benny; Cohen, Shmuel; Yardeni, Guy; Zilbermann, Israel; Almog, Joseph","5-[2,4-Dihydroxy-5-(5-hydroxy-2,4,6-trioxo-3,5-dihydro-1<i>H</i>-pyrimidin-5-yl)-3-methoxyphenyl]-5-hydroxy-3,5-dihydro-1<i>H</i>-pyrimidine-2,4,6-trione pentahydrate","IUCrData","2016","1","2","x160261","","10.1107/S2414314616002613","","","0.71073","MoKα","","0.049","0.045","","","0.1288","0.133","","","","","","1.037","","","","has coordinates,has Fobs","176771","2020-10-21","18:00:00",""
"1542531","11.913","0.0009","11.445","0.001","20.7458","0.0017","90","","90","","90","","2828.6","0.4","120","2","120.01","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","Di-μ-chlorido-bis[(2,2'-bipyridine-κ^2^<i>N</i>,<i>N</i>')chlorido(<i>N</i>,<i>N</i>-dimethylformamide-κ<i>O</i>)nickel(II)]","","- C26 H30 Cl4 N6 Ni2 O2 -","- C26 H30 Cl4 N6 Ni2 O2 -","- C104 H120 Cl16 N24 Ni8 O8 -","4","0.5","LH5805","Glazier, Brian M.; Golen, James A.; Manke, David R.","Di-μ-chlorido-bis[(2,2'-bipyridine-κ^2^<i>N</i>,<i>N</i>')chlorido(<i>N</i>,<i>N</i>-dimethylformamide-κ<i>O</i>)nickel(II)]","IUCrData","2016","1","2","x160259","","10.1107/S2414314616002595","","","1.54178","CuKα","","0.0466","0.0315","","","0.0677","0.0729","","","","","","1.044","","","","has coordinates,has Fobs","176772","2020-10-21","18:00:00",""
"1542532","7.3655","0.0011","13.689","0.002","7.2866","0.0012","90","","93.378","0.005","90","","733.4","0.2","120","2","120.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","4-Bromo-1<i>H</i>-indole-2,3-dione","","- C8 H4 Br N O2 -","- C8 H4 Br N O2 -","- C32 H16 Br4 N4 O8 -","4","1","VM4004","Huang, Haobo; Golen, James A.; Manke, David R.","4-Bromo-1<i>H</i>-indole-2,3-dione","IUCrData","2016","1","2","x160007","","10.1107/S2414314616000079","","","0.71073","MoKα","","0.0209","0.0185","","","0.0477","0.0493","","","","","","1.08","","","","has coordinates,has Fobs","176773","2020-10-21","18:00:00",""
"1542533","6.0485","0.0007","6.9813","0.0004","15.2806","0.0016","94.625","0.006","94.955","0.009","95.942","0.007","636.76","0.11","180.01","0.1","180.01","0.1","","","","","","","","4","P -1","-P 1","2","P662T-3H","3,7-bis(3-hexylthiophen-2-yl)pyrano[4,3-c]pyran-1,5-dione","","- C28 H32 O4 S2 -","- C28 H32 O4 S2 -","- C28 H32 O4 S2 -","1","0.5","","Wang, Xiao-Ye; Zhang, Meng-Wen; Zhuang, Fang-Dong; Wang, Jie-Yu; Pei, Jian","Lactone-fused electron-deficient building blocks for n-type polymer field-effect transistors: synthesis, properties, and impact of alkyl substitution positions","Polym. Chem.","2016","7","12","2264","","10.1039/C6PY00143B","","","0.7107","MoKα","","0.1171","0.0745","","","0.1791","0.2069","","","","","","1.025","","","","has coordinates","181807","2020-10-21","18:00:00",""
"1542534","18.7959","0.0005","22.7469","0.0005","8.0182","0.0002","90","","90","","90","","3428.17","0.15","100","2","100","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C19 H18 N2 O3 -","- C19 H18 N2 O3 -","- C152 H144 N16 O24 -","8","2","","Kischkewitz, Marvin; Daniliuc, Constantin-Gabriel; Studer, Armido","3-Alkylperoxy-3-cyano-oxindoles from 2-Cyano-2-diazo-N-phenyl-acetamides via Cyclizing Carbene Insertion and Subsequent Radical Oxidation.","Organic letters","2016","18","5","1206","","10.1021/acs.orglett.6b00367","","","1.54178","CuKα","","0.0647","0.041","","","0.0884","0.097","","","","","","1.027","","","","has coordinates","177450","2020-10-21","18:00:00",""
"1542535","5.1196","0.0002","11.2852","0.0005","18.9656","0.0007","90","","97.224","0.003","90","","1087.05","0.08","200","1","200","1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C11 H10 F N O3 S -","- C11 H10 F N O3 S -","- C44 H40 F4 N4 O12 S4 -","4","1","","Lorion, Mélanie M; Duarte, Filipe J. S.; Calhorda, Maria José; Oble, Julie; Poli, Giovanni","Opening the Way to Catalytic Aminopalladation/Proxicyclic Dehydropalladation: Access to Methylidene γ-Lactams.","Organic letters","2016","18","5","1020","","10.1021/acs.orglett.6b00143","","","0.71073","MoKα","","0.0478","0.0354","","","0.0917","0.0995","","","","","","1.031","","","","has coordinates","177459","2020-10-21","18:00:00",""
"1542536","9.92044","0.00014","14.02733","0.00018","18.6185","0.0003","90","","101.515","0.0013","90","","2538.75","0.06","110.05","0.1","110.05","0.1","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C22 H16 F6 N4 O6 S2 Zn -","- C22 H16 F6 N4 O6 S2 Zn -","- C88 H64 F24 N16 O24 S8 Zn4 -","4","0.5","","Comerford, James W.; Hart, Sam J.; North, Michael; Whitwood, Adrian C.","Homogeneous and silica-supported zinc complexes for the synthesis of propylene carbonate from propane-1,2-diol and carbon dioxide","Catal. Sci. Technol.","2016","6","13","4824","","10.1039/C6CY00134C","","x-ray","0.7107","MoKα","","0.032","0.0274","","","0.0665","0.0691","","","","","","1.054","","","","has coordinates","185085","2020-10-21","18:00:00",""
"1542537","9.75476","0.00012","14.26536","0.00017","19.5942","0.0002","90","","95.2384","0.0011","90","","2715.25","0.05","110.05","0.1","110.05","0.1","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C26 H16 F6 N4 O6 S2 Zn -","- C26 H16 F6 N4 O6 S2 Zn -","- C104 H64 F24 N16 O24 S8 Zn4 -","4","0.5","","Comerford, James W.; Hart, Sam J.; North, Michael; Whitwood, Adrian C.","Homogeneous and silica-supported zinc complexes for the synthesis of propylene carbonate from propane-1,2-diol and carbon dioxide","Catal. Sci. Technol.","2016","6","13","4824","","10.1039/C6CY00134C","","x-ray","0.7107","MoKα","","0.0328","0.0271","","","0.0689","0.0722","","","","","","1.051","","","","has coordinates","185085","2020-10-21","18:00:00",""
"1542538","8.3731","0.0003","8.6907","0.0003","11.7281","0.0005","68.851","0.003","81.968","0.003","82.401","0.003","785.04","0.05","110.05","0.1","110.05","0.1","","","","","","","","7","P 1","P 1","1","","","","- C24 H32 F6 N8 O6 S2 Zn -","- C24 H32 F6 N8 O6 S2 Zn -","- C24 H32 F6 N8 O6 S2 Zn -","1","1","","Comerford, James W.; Hart, Sam J.; North, Michael; Whitwood, Adrian C.","Homogeneous and silica-supported zinc complexes for the synthesis of propylene carbonate from propane-1,2-diol and carbon dioxide","Catal. Sci. Technol.","2016","6","13","4824","","10.1039/C6CY00134C","","x-ray","0.71073","MoKα","","0.0331","0.0304","","","0.0525","0.0539","","","","","","0.966","","","","has coordinates","185085","2020-10-21","18:00:00",""
"1542539","11.1671","0.0002","7.62443","0.00014","14.6056","0.0003","90","","94.1026","0.0019","90","","1240.37","0.04","293","","293","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C26 H27 N O7 S -","- C26 H27 N O7 S -","- C52 H54 N2 O14 S2 -","2","1","","Liao, Yuting; Liu, Xiaohua; Zhang, Yu; Xu, Yali; Xia, Yong; Lin, Lili; Feng, Xiaoming","Asymmetric [3 + 2] cycloaddition of donor‒acceptor aziridines with aldehydes via carbon‒carbon bond cleavage","Chem. Sci.","2016","7","6","3775","","10.1039/C5SC04151A","","x-ray","1.54184","CuKα","","0.0534","0.0526","","","0.1353","0.1366","","","","","","1.071","","","","has coordinates","185138","2020-10-21","18:00:00",""
"1542540","8.9771","0.0005","12.868","0.0008","14.5449","0.0009","90","","90","","90","","1680.19","0.17","173","2","173","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","Caesium tetramethylammonium dodecahydro-<i>closo</i>-dodecaborate monohydrate","","- C4 H26 B12 Cs N O -","- C4 H26 B12 Cs N O -","- C16 H104 B48 Cs4 N4 O4 -","4","1","WM4007","Tiritiris, Ioannis; Schleid, Thomas","Caesium tetramethylammonium dodecahydrido-<i>closo</i>-dodecaborate monohydrate","IUCrData","2016","1","2","x160291","","10.1107/S2414314616002911","","","0.71073","MoKα","","0.0259","0.0241","","","0.0616","0.0628","","","","","","1.054","","","","has coordinates,has Fobs","176884","2020-10-21","18:00:00",""
"1542541","5.6473","0.0002","26.7798","0.0009","13.3219","0.0004","90","","99.743","0.002","90","","1985.66","0.11","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Diethyl 3-amino-6-methyl-4-[(<i>E</i>)-2-phenylethenyl]thieno[2,3-<i>b</i>]pyridine-2,5-dicarboxylate","","- C22 H22 N2 O4 S -","- C22 H22 N2 O4 S -","- C88 H88 N8 O16 S4 -","4","1","ZP4002","Mague, Joel T.; Mohamed, Shaaban K.; Akkurt, Mehmet; Bakhite, Etify A.; Albayati, Mustafa R.","Diethyl 3-amino-6-methyl-4-[(<i>E</i>)-2-phenylethenyl]thieno[2,3-<i>b</i>]pyridine-2,5-dicarboxylate","IUCrData","2016","1","2","x160270","","10.1107/S2414314616002704","","","1.54178","CuKα","","0.0481","0.0372","","","0.0876","0.0936","","","","","","1.065","","","","has coordinates,has Fobs","176885","2020-10-21","18:00:00",""
"1542542","6.778","0.003","6.953","0.003","9.458","0.004","109.182","0.006","93.369","0.006","98.437","0.006","413.7","0.3","173","","173","","","","","","","","","4","P 1","P 1","1","","4,4'-(1,2-Diazaniumylethane-1,2-diyl)dibenzoate trihydrate","","- C16 H22 N2 O7 -","- C16 H22 N2 O7 -","- C16 H22 N2 O7 -","1","1","RZ4001","Numata, Takashi; Ikenomoto, Shun; Akitsu, Takashiro","4,4'-(1,2-Diazaniumylethane-1,2-diyl)dibenzoate trihydrate","IUCrData","2016","1","2","x160252","","10.1107/S2414314616002522","","","0.71073","MoKα","","0.0394","0.0383","","","0.1009","0.1025","","","","","","1.031","","","","has coordinates,has Fobs","176886","2020-10-21","18:00:00",""
"1542543","12.657","0.004","12.657","0.004","9.296","0.003","90","","90","","120","","1289.7","0.7","117","2","117","2","","","","","","","","4","R -3 m :H","-R 3 2""","166","","","","- C9 H6.2 N6 O0.1 -","- C9 H6.2001 N6 O0.1 -","- C54 H37.2006 N36 O0.6 -","6","0.166667","","Zhou, Dong-Dong; Xu, Yan-Tong; Lin, Rui-Biao; Mo, Zong-Wen; Zhang, Wei-Xiong; Zhang, Jie-Peng","High-symmetry hydrogen-bonded organic frameworks: air separation and crystal-to-crystal structural transformation.","Chemical communications (Cambridge, England)","2016","52","28","4991","4994","10.1039/c6cc00366d","","","0.71073","MoKα","","0.0801","0.0541","","","0.1335","0.1549","","","","","","1.046","","","","has coordinates","181569","2020-10-21","18:00:00",""
"1542544","12.335","0.004","21.047","0.008","7.89","0.003","90","","90","","90","","2048.4","1.3","253","2","253","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C12 H17 F9 N6 O7 -","- C12 H17 F9 N6 O7 -","- C48 H68 F36 N24 O28 -","4","0.5","","Zhou, Dong-Dong; Xu, Yan-Tong; Lin, Rui-Biao; Mo, Zong-Wen; Zhang, Wei-Xiong; Zhang, Jie-Peng","High-symmetry hydrogen-bonded organic frameworks: air separation and crystal-to-crystal structural transformation.","Chemical communications (Cambridge, England)","2016","52","28","4991","4994","10.1039/c6cc00366d","","","1.54178","CuKα","","0.0551","0.0514","","","0.1247","0.1292","","","","","","1.055","","","","has coordinates,has disorder","181569","2020-10-21","18:00:00",""
"1542545","15.8427","0.0015","15.8427","0.0015","15.8427","0.0015","90","","90","","90","","3976.4","0.7","173","2","173","2","","","","","","","","4","P 41 3 2","P 4bd 2ab 3","213","","","","- C14 H3.5 F10.5 N7 -","- C13.9998 H3.5001 F10.5 N6.9999 -","- C111.998 H28.0008 F84 N55.9992 -","8","0.333333","","Zhou, Dong-Dong; Xu, Yan-Tong; Lin, Rui-Biao; Mo, Zong-Wen; Zhang, Wei-Xiong; Zhang, Jie-Peng","High-symmetry hydrogen-bonded organic frameworks: air separation and crystal-to-crystal structural transformation.","Chemical communications (Cambridge, England)","2016","52","28","4991","4994","10.1039/c6cc00366d","","","1.54178","CuKα","","0.0801","0.0797","","","0.2113","0.2114","","","","","","1.056","","","","has coordinates,has disorder","181569","2020-10-21","18:00:00",""
"1542546","10.5883","0.0014","21.967","0.002","14.4286","0.0016","90","","95.682","0.006","90","","3339.5","0.7","100","","100.01","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","[Cu(SAr)2][Na(12-crown-4)2]","[Cu(SAr)2][Na(12-crown-4)2]","","- C32 H50 Cu Na O8 S2 -","- C32 H50 Cu Na O8 S2 -","- C128 H200 Cu4 Na4 O32 S8 -","4","1","","Johnson, Miles W.; Hannoun, Kareem I.; Tan, Yichen; Fu, Gregory C.; Peters, Jonas C.","A mechanistic investigation of the photoinduced, copper-mediated cross-coupling of an aryl thiol with an aryl halide.","Chemical science","2016","7","7","4091","4100","10.1039/C5SC04709A","","","0.71073","MoKα","","0.1503","0.0666","","","0.0928","0.1104","","","","","","1.036","","","","has coordinates","190061","2020-10-21","18:00:00",""
"1542547","7.547","0.0008","7.886","0.0007","8.992","0.0009","66.005","0.007","85.305","0.008","83.508","0.008","485.4","0.09","180","","180","","","","","","","","synthesis as described","5","P -1","-P 1","2","[MBqn2+](BF4)2 Methylbiquinoxen bis tetrafluoroborate","N,N'-dimethyl-3,3'-biquinoxalinium bis tetrafluoroborate","","- C18 H16 B2 F8 N4 -","- C18 H16 B2 F8 N4 -","- C18 H16 B2 F8 N4 -","1","0.5","","Leblanc, Nicolas; Sproules, Stephen; Fink, Karin; Sanguinet, Lionel; Alévêque, Olivier; Levillain, Eric; Rosa, Patrick; Powell, Annie K.","A fascinating multifaceted redox-active chelating ligand: introducing the N,N′-dimethyl-3,3′-biquinoxalinium “methylbiquinoxen” platform","Chem. Sci.","2016","7","6","3820","","10.1039/C5SC04904K","","","0.71073","MoKα","","0.0504","0.0437","","","0.1188","0.1251","","","","","","1.017","","","","has coordinates","185134","2020-10-21","18:00:00",""
"1542548","7.133","0.0009","20.036","0.0016","11.526","0.0013","90","","99.454","0.009","90","","1624.9","0.3","180","2","180","","","","","","","","synthesis as described","5","P 1 21/n 1","-P 2yn","14","direduced monoprotonated Methylbiquinoxen cation tetrafluoroborate; [MBqn0-H+]BF4","4,4?-dimethyl-1?,4?-dihydro-[2,2?-biquinoxalin]-4-ium tetrafluoroborate","","- C18 H17 B F4 N4 -","- C18 H17 B F4 N4 -","- C72 H68 B4 F16 N16 -","4","1","","Leblanc, Nicolas; Sproules, Stephen; Fink, Karin; Sanguinet, Lionel; Alévêque, Olivier; Levillain, Eric; Rosa, Patrick; Powell, Annie K.","A fascinating multifaceted redox-active chelating ligand: introducing the N,N′-dimethyl-3,3′-biquinoxalinium “methylbiquinoxen” platform","Chem. Sci.","2016","7","6","3820","","10.1039/C5SC04904K","","","0.71073","MoKα","","0.0709","0.0416","","","0.1077","0.1263","","","","","","1.019","","","","has coordinates","185134","2020-10-21","18:00:00",""
"1542549","7.4683","0.0005","10.4739","0.0007","11.3249","0.0008","80.15","0.006","82.274","0.005","81.982","0.006","858.7","0.1","180","2","180","","","","","","","","synthesis as described","5","P -1","-P 1","2","[CdCl2(MBqn)]","dichloromethylbiquinoxencadmium (II)","","- C18 H16 Cd Cl2 N4 -","- C18 H16 Cd Cl2 N4 -","- C36 H32 Cd2 Cl4 N8 -","2","1","","Leblanc, Nicolas; Sproules, Stephen; Fink, Karin; Sanguinet, Lionel; Alévêque, Olivier; Levillain, Eric; Rosa, Patrick; Powell, Annie K.","A fascinating multifaceted redox-active chelating ligand: introducing the N,N′-dimethyl-3,3′-biquinoxalinium “methylbiquinoxen” platform","Chem. Sci.","2016","7","6","3820","","10.1039/C5SC04904K","","","0.71073","MoKα","","0.0329","0.0266","","","0.0648","0.0673","","","","","","1.065","","","","has coordinates","185134","2020-10-21","18:00:00",""
"1542550","12.5879","0.0006","20.8699","0.001","13.6448","0.0008","90","","93.531","0.004","90","","3577.8","0.3","133","2","133","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C40 H44 Fe N6 O6 -","- C40 H44 Fe N6 O6 -","- C160 H176 Fe4 N24 O24 -","4","1","","Deliomeroglu, Murat K.; Lynch, Vincent M.; Sessler, Jonathan L.","Non-cyclic formylated dipyrromethanes as phosphate anion receptors","Chem. Sci.","2016","7","6","3843","","10.1039/C6SC00015K","","","0.71073","MoKα","","0.1007","0.0471","","","0.0897","0.1109","","","","","","1.013","","","","has coordinates","185135","2020-10-21","18:00:00",""
"1542551","10.1932","0.0019","12.318","0.002","19.654","0.004","72.773","0.004","77.793","0.004","81.49","0.004","2294.1","0.7","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C44 H38 Cl6 N6 O6 -","- C44 H38 Cl6 N6 O6 -","- C88 H76 Cl12 N12 O12 -","2","1","","Deliomeroglu, Murat K.; Lynch, Vincent M.; Sessler, Jonathan L.","Non-cyclic formylated dipyrromethanes as phosphate anion receptors","Chem. Sci.","2016","7","6","3843","","10.1039/C6SC00015K","","","0.71073","MoKα","","0.145","0.0937","","","0.233","0.2589","","","","","","1.14","","","","has coordinates,has disorder","185135","2020-10-21","18:00:00",""
"1542552","19.5077","0.0003","15.3419","0.0003","22.1726","0.0003","90","","95.401","0.001","90","","6606.47","0.19","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C62.5 H99 Cl N6 O11 P2 -","- C62 H98 N6 O11 P2 -","- C248 H392 N24 O44 P8 -","4","1","","Deliomeroglu, Murat K.; Lynch, Vincent M.; Sessler, Jonathan L.","Non-cyclic formylated dipyrromethanes as phosphate anion receptors","Chem. Sci.","2016","7","6","3843","","10.1039/C6SC00015K","","","1.54184","CuKα","","0.0777","0.0603","","","0.1574","0.171","","","","","","1.029","","","","has coordinates,has disorder","185135","2020-10-21","18:00:00",""
"1542553","9.9599","0.0004","14.6932","0.0006","16.4802","0.0005","81.05","0.003","75.273","0.003","88.017","0.003","2304.1","0.15","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C46.5 H64.5 Cl1.5 N5 O8 P -","- C46.5 H64.5 Cl1.5 N5 O8 P -","- C93 H129 Cl3 N10 O16 P2 -","2","1","","Deliomeroglu, Murat K.; Lynch, Vincent M.; Sessler, Jonathan L.","Non-cyclic formylated dipyrromethanes as phosphate anion receptors","Chem. Sci.","2016","7","6","3843","","10.1039/C6SC00015K","","","1.54184","CuKα","","0.0641","0.05","","","0.1188","0.1237","","","","","","1.047","","","","has coordinates,has disorder","185135","2020-10-21","18:00:00",""
"1542554","16.0755","0.0007","18.9299","0.0007","24.4976","0.0006","93.415","0.002","96.103","0.003","111.261","0.004","6869.2","0.5","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C119 H151 Cl9 N14 O20 P2 -","- C119 H147 Cl9 N14 O20 P2 -","- C238 H294 Cl18 N28 O40 P4 -","2","1","","Deliomeroglu, Murat K.; Lynch, Vincent M.; Sessler, Jonathan L.","Non-cyclic formylated dipyrromethanes as phosphate anion receptors","Chem. Sci.","2016","7","6","3843","","10.1039/C6SC00015K","","","1.54184","CuKα","","0.1811","0.1255","","","0.3052","0.3446","","","","","","1.544","","","","has coordinates,has disorder","185135","2020-10-21","18:00:00",""
"1542555","35.7365","0.0013","15.061","0.0005","30.9345","0.0011","90","","104.141","0.007","90","","16145.3","1.1","93","2","93","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C69 H62.5 Cl6 I6 N12 Zn3 -","- C69 H62.5 Cl6 I6 N12 Zn3 -","- C552 H500 Cl48 I48 N96 Zn24 -","8","1","","Inokuma, Yasuhide; Ukegawa, Tomoya; Hoshino, Manabu; Fujita, Makoto","Structure determination of microbial metabolites by the crystalline sponge method","Chem. Sci.","2016","7","6","3910","","10.1039/C6SC00594B","","","0.71075","MoKα","","0.13","0.078","","","0.2382","0.2736","","","","","","1.065","","","","has coordinates,has disorder","185139","2020-10-21","18:00:00",""
"1542556","36.3783","0.0008","14.6755","0.0002","31.2278","0.0006","90","","103.184","0.002","90","","16232.2","0.5","100","2","100","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C132.77 H131.15 I12 N24 O15.14 Zn6 -","- C132.785 H131.15 I12 N24 O15.14 Zn6 -","- C531.14 H524.6 I48 N96 O60.56 Zn24 -","4","1","","Inokuma, Yasuhide; Ukegawa, Tomoya; Hoshino, Manabu; Fujita, Makoto","Structure determination of microbial metabolites by the crystalline sponge method","Chem. Sci.","2016","7","6","3910","","10.1039/C6SC00594B","","x-ray","1.54184","CuKα","","0.0562","0.0511","","","0.1352","0.1396","","","","","","1.039","","","","has coordinates,has disorder","185139","2020-10-21","18:00:00",""
"1542557","34.7707","0.0006","14.8406","0.0003","31.2152","0.0005","90","","102.601","0.002","90","","15719.6","0.5","93","2","93","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C134.29 H138.92 I12 N24 O8.41 Zn6 -","- C134.295 H138.93 I12 N24 O8.415 Zn6 -","- C537.18 H555.72 I48 N96 O33.66 Zn24 -","4","1","","Inokuma, Yasuhide; Ukegawa, Tomoya; Hoshino, Manabu; Fujita, Makoto","Structure determination of microbial metabolites by the crystalline sponge method","Chem. Sci.","2016","7","6","3910","","10.1039/C6SC00594B","","","1.54184","CuKα","","0.0935","0.0788","","","0.2091","0.2259","","","","","","1.005","","","","has coordinates,has disorder","185139","2020-10-21","18:00:00",""
"1542558","27.4702","0.0008","17.1432","0.0006","27.9778","0.0008","90","","90","","90","","13175.5","0.7","100","2","100","2","","","","","","","","8","P b c a","-P 2ac 2ab","61","","","","- C68 H74 N Ni O3 P3 S3 Si3 -","- C68 H74 N Ni O3 P3 S3 Si3 -","- C544 H592 N8 Ni8 O24 P24 S24 Si24 -","8","1","","Chiou, Tzung-Wen; Tseng, Yen-Ming; Lu, Tsai-Te; Weng, Tsu-Chien; Sokaras, Dimosthenes; Ho, Wei-Chieh; Kuo, Ting-Shen; Jang, Ling-Yun; Lee, Jyh-Fu; Liaw, Wen-Feng","[NiIII(OMe)]-mediated reductive activation of CO2affording a Ni(κ1-OCO) complex","Chem. Sci.","2016","7","6","3640","","10.1039/C5SC04652A","","","0.71073","MoKα","","0.0912","0.0552","","","0.1449","0.1725","","","","","","1.042","","","","has coordinates","185142","2020-10-21","18:00:00",""
"1542559","27.5733","0.0007","17.0409","0.0005","27.8585","0.0008","90","","90","","90","","13090","0.6","100","2","100","2","","","","","","","","8","P b c a","-P 2ac 2ab","61","","","","- C68 H74 N2 Ni O2 P3 S3 Si3 -","- C68 H74 N2 Ni O2 P3 S3 Si3 -","- C544 H592 N16 Ni8 O16 P24 S24 Si24 -","8","1","","Chiou, Tzung-Wen; Tseng, Yen-Ming; Lu, Tsai-Te; Weng, Tsu-Chien; Sokaras, Dimosthenes; Ho, Wei-Chieh; Kuo, Ting-Shen; Jang, Ling-Yun; Lee, Jyh-Fu; Liaw, Wen-Feng","[NiIII(OMe)]-mediated reductive activation of CO2affording a Ni(κ1-OCO) complex","Chem. Sci.","2016","7","6","3640","","10.1039/C5SC04652A","","","0.71073","MoKα","","0.0499","0.0382","","","0.106","0.1276","","","","","","1.171","","","","has coordinates","185142","2020-10-21","18:00:00",""
"1542560","14.316","0.0004","26.0756","0.0006","18.0992","0.0004","90","","97.069","0.002","90","","6705","0.3","200","2","200","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C67 H78 N3 Ni O P3 S3 Si3 -","- C67 H78 N3 Ni O P3 S3 Si3 -","- C268 H312 N12 Ni4 O4 P12 S12 Si12 -","4","1","","Chiou, Tzung-Wen; Tseng, Yen-Ming; Lu, Tsai-Te; Weng, Tsu-Chien; Sokaras, Dimosthenes; Ho, Wei-Chieh; Kuo, Ting-Shen; Jang, Ling-Yun; Lee, Jyh-Fu; Liaw, Wen-Feng","[NiIII(OMe)]-mediated reductive activation of CO2affording a Ni(κ1-OCO) complex","Chem. Sci.","2016","7","6","3640","","10.1039/C5SC04652A","","","0.71073","MoKα","","0.0547","0.0398","","","0.1124","0.1229","","","","","","0.923","","","","has coordinates","185142","2020-10-21","18:00:00",""
"1542561","9.1934","0.0004","13.5122","0.0005","18.2252","0.0009","76.83","0.004","75.995","0.004","86.625","0.003","2138.9","0.17","100","2","100","2","","","","","","","","3","P -1","-P 1","2","lizhen-3","THPE","","- C50 H68 O4 -","- C50 H68 O4 -","- C100 H136 O8 -","2","1","","Wang, Can; Xu, Bingjia; Li, Mengshu; Chi, Zhenguo; Xie, Yujun; Li, Qianqian; Li, Zhen","A stable tetraphenylethene derivative: aggregation-induced emission, different crystalline polymorphs, and totally different mechanoluminescence properties","Mater. Horiz.","2016","3","3","220","","10.1039/C6MH00025H","","","0.71","MoKα","","0.0957","0.088","","","0.2591","0.2673","","","","","","1.075","","","","has coordinates","182806","2020-10-21","18:00:00",""
"1542562","9.7421","0.0002","9.7391","0.0002","16.0471","0.0003","90","","90","","90","","1522.54","0.05","298","2","298","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C17 H21.3 N O4.15 -","- C17 H21.3 N O4.15 -","- C68 H85.2 N4 O16.6 -","4","1","","Zhan, Guanqun; Zhou, Junfei; Liu, Rong; Liu, Tingting; Guo, Guoli; Wang, Jianping; Xiang, Ming; Xue, Yongbo; Luo, Zengwei; Zhang, Yonghui; Yao, Guangmin","Galanthamine, Plicamine, and Secoplicamine Alkaloids from Zephyranthes candida and Their Anti-acetylcholinesterase and Anti-inflammatory Activities.","Journal of natural products","2016","79","4","760","766","10.1021/acs.jnatprod.5b00681","","","1.54178","CuKα","","0.029","0.0289","","","0.0798","0.0799","","","","","","1.068","","","","has coordinates,has disorder","183579","2020-10-21","18:00:00",""
"1542563","8.0372","0.0001","15.6818","0.0002","22.5648","0.0003","90","","90","","90","","2844.02","0.06","298","2","298","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H22 N O4.5 -","- C16 H22 N O4.5 -","- C128 H176 N8 O36 -","8","2","","Zhan, Guanqun; Zhou, Junfei; Liu, Rong; Liu, Tingting; Guo, Guoli; Wang, Jianping; Xiang, Ming; Xue, Yongbo; Luo, Zengwei; Zhang, Yonghui; Yao, Guangmin","Galanthamine, Plicamine, and Secoplicamine Alkaloids from Zephyranthes candida and Their Anti-acetylcholinesterase and Anti-inflammatory Activities.","Journal of natural products","2016","79","4","760","766","10.1021/acs.jnatprod.5b00681","","","1.54178","CuKα","","0.0595","0.044","","","0.1382","0.1976","","","","","","1.163","","","","has coordinates","183579","2020-10-21","18:00:00",""
"1542564","9.4965","0.0002","11.4906","0.0003","9.9133","0.0003","90","","95.247","0.001","90","","1077.21","0.05","298","2","298","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C23 H30.01 N2 O4 -","- C23.004 H30.011 N2 O4 -","- C46.008 H60.022 N4 O8 -","2","1","","Zhan, Guanqun; Zhou, Junfei; Liu, Rong; Liu, Tingting; Guo, Guoli; Wang, Jianping; Xiang, Ming; Xue, Yongbo; Luo, Zengwei; Zhang, Yonghui; Yao, Guangmin","Galanthamine, Plicamine, and Secoplicamine Alkaloids from Zephyranthes candida and Their Anti-acetylcholinesterase and Anti-inflammatory Activities.","Journal of natural products","2016","79","4","760","766","10.1021/acs.jnatprod.5b00681","","","1.54178","CuKα","","0.0441","0.0424","","","0.1192","0.1216","","","","","","1.069","","","","has coordinates,has disorder","183579","2020-10-21","18:00:00",""
"1542565","9.6195","0.0002","11.6392","0.0002","9.6441","0.0001","90","","94.229","0.001","90","","1076.85","0.03","298","2","298","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C23 H30 N2 O4 -","- C23 H30 N2 O4 -","- C46 H60 N4 O8 -","2","1","","Zhan, Guanqun; Zhou, Junfei; Liu, Rong; Liu, Tingting; Guo, Guoli; Wang, Jianping; Xiang, Ming; Xue, Yongbo; Luo, Zengwei; Zhang, Yonghui; Yao, Guangmin","Galanthamine, Plicamine, and Secoplicamine Alkaloids from Zephyranthes candida and Their Anti-acetylcholinesterase and Anti-inflammatory Activities.","Journal of natural products","2016","79","4","760","766","10.1021/acs.jnatprod.5b00681","","","1.54178","CuKα","","0.0451","0.0418","","","0.1131","0.1161","","","","","","1.047","","","","has coordinates","183579","2020-10-21","18:00:00",""
"1542566","7.9947","0.0002","8.6002","0.0002","24.7362","0.0005","90","","90","","90","","1700.76","0.07","298","2","298","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H27 N O5 -","- C18 H27 N O5 -","- C72 H108 N4 O20 -","4","1","","Zhan, Guanqun; Zhou, Junfei; Liu, Rong; Liu, Tingting; Guo, Guoli; Wang, Jianping; Xiang, Ming; Xue, Yongbo; Luo, Zengwei; Zhang, Yonghui; Yao, Guangmin","Galanthamine, Plicamine, and Secoplicamine Alkaloids from Zephyranthes candida and Their Anti-acetylcholinesterase and Anti-inflammatory Activities.","Journal of natural products","2016","79","4","760","766","10.1021/acs.jnatprod.5b00681","","","1.54178","CuKα","","0.0558","0.0487","","","0.1348","0.1364","","","","","","1.052","","","","has coordinates","183579","2020-10-21","18:00:00",""
"1542567","17.9422","0.0011","9.9101","0.0007","19.1301","0.0011","90","","99.879","0.005","90","","3351.1","0.4","170","","170","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C21 H17 N3 O -","- C21 H17 N3 O -","- C168 H136 N24 O8 -","8","1","","Chen, Zhengkai; Li, Hongli; Dong, Weipeng; Miao, Maozhong; Ren, Hongjun","I2-Catalyzed Oxidative Coupling Reactions of Hydrazones and Amines and the Application in the Synthesis of 1,3,5-Trisubstituted 1,2,4-Triazoles.","Organic letters","2016","18","6","1334","1337","10.1021/acs.orglett.6b00277","","","0.71073","MoKα","","0.0645","0.0458","","","0.1051","0.1175","","","","","","1.024","","","","has coordinates","181461","2020-10-21","18:00:00",""
"1542568","29.6046","0.0008","11.8388","0.0004","17.1781","0.0004","90","","90","","90","","6020.6","0.3","153","2","153","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C38 H30 N4 S3 -","- C38 H30 N4 S3 -","- C304 H240 N32 S24 -","8","1","","Zhang, Jing; Gu, Peiyang; Long, Guankui; Ganguly, Rakesh; Li, Yongxin; Aratani, Naoki; Yamada, Hiroko; Zhang, Qichun","Switching charge-transfer characteristics from p-type to n-type through molecular “doping” (co-crystallization)","Chem. Sci.","2016","7","6","3851","","10.1039/C5SC04954G","","","0.71073","MoKα","","0.1147","0.0512","","","0.1337","0.1985","","","","","","1.072","","","","has coordinates","185133","2020-10-21","18:00:00",""
"1542569","10.6919","0.0002","11.6399","0.0002","14.4791","0.0003","90.178","0.006","104.4","0.007","95.311","0.007","1737.22","0.08","103","","103","","","","","","","","","4","P -1","-P 1","2","","","","- C88 H64 N12 S6 -","- C88 H64 N12 S6 -","- C88 H64 N12 S6 -","1","0.5","","Zhang, Jing; Gu, Peiyang; Long, Guankui; Ganguly, Rakesh; Li, Yongxin; Aratani, Naoki; Yamada, Hiroko; Zhang, Qichun","Switching charge-transfer characteristics from p-type to n-type through molecular “doping” (co-crystallization)","Chem. Sci.","2016","7","6","3851","","10.1039/C5SC04954G","","","0.71075","MoKα","","0.0544","0.0427","","","0.105","0.1104","","","","","","1.044","","","","has coordinates","185133","2020-10-21","18:00:00",""
"1542570","7.02512","0.00015","8.17982","0.00017","10.0807","0.0002","104.135","0.0018","104.019","0.0018","91.6954","0.0018","542.58","0.02","100.01","0.1","100.01","0.1","","","","","","","","5","P 1","P 1","1","","(R)-7-chloro-1-oxo-1,2,3,3a-tetrahydropyrrolo[1,2-a] quinoline-4-carbaldehyde","","- C13 H10 Cl N O2 -","- C13 H10 Cl N O2 -","- C26 H20 Cl2 N2 O4 -","2","2","","Sanchez-Diez, Eduardo; Vesga, Diana L.; Reyes, Efraim; Uria, Uxue; Carrillo, Luisa; Vicario, Jose L.","Organocatalytically Generated Donor-Acceptor Cyclopropanes in Domino Reactions. One-Step Enantioselective Synthesis of Pyrrolo[1,2-a]quinolines.","Organic letters","2016","18","6","1270","1273","10.1021/acs.orglett.6b00173","","","1.54184","CuKα","","0.0327","0.0318","","","0.0852","0.0861","","","","","","1.065","","","","has coordinates","181449","2020-10-21","18:00:00",""
"1542571","6.4922","0.0013","8.38","0.0017","9.896","0.002","74.212","0.003","73.241","0.003","80.346","0.003","493.74","0.17","100","2","100","2","","","","","","","","5","P -1","-P 1","2","SMI-DOS-013-1","Epoxy thiolactone, 1","","- C8 H11 N O4 S -","- C8 H11 N O4 S -","- C16 H22 N2 O8 S2 -","2","1","","Mommer, Stefan; Truong, Khai-Nghi; Keul, Helmut; Möller, Martin","An epoxy thiolactone on stage: four component reactions, synthesis of poly(thioether urethane)s and the respective hydrogels","Polym. Chem.","2016","7","12","2291","","10.1039/C6PY00231E","","","0.71073","MoKα","","0.0397","0.0339","","","0.08","0.0832","","","","","","1.044","","","","has coordinates,has disorder","181806","2020-10-21","18:00:00",""
"1542572","5.82646","0.00009","9.44106","0.00013","15.616","0.0003","90","","100.11","0.0015","90","","845.67","0.02","99.9","0.4","99.9","0.4","","","","","","","","3","P 1 c 1","P -2yc","7","Methyl model compound","4-(4-methoxyphenyl)-6-methyl-3-phenyl-1H-isochromen-1-one","","- C23 H18 O3 -","- C23 H18 O3 -","- C46 H36 O6 -","2","1","","Han, Ting; Deng, Haiqin; Yu, Chris Y. Y.; Gui, Chen; Song, Zhegang; Kwok, Ryan T. K.; Lam, Jacky W. Y.; Tang, Ben Zhong","Functional isocoumarin-containing polymers synthesized by rhodium-catalyzed oxidative polycoupling of aryl diacid and internal diyne","Polym. Chem.","2016","7","14","2501","","10.1039/C6PY00206D","","x-ray","1.5418","CuKα","","0.0222","0.0221","","","0.0557","0.0558","","","","","","1.001","","","","has coordinates","181811","2020-10-21","18:00:00",""
"1542573","10.0072","0.001","23.043","0.002","9.4047","0.0009","90","","110.772","0.002","90","","2027.7","0.3","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C26 H19 N3 O2 -","- C26 H19 N3 O2 -","- C104 H76 N12 O8 -","4","1","","Cai, Qun; Li, Deng-Kui; Zhou, Rong-Rong; Shu, Wen-Ming; Wu, Yan-Dong; Wu, An-Xin","Acid-Catalyzed Multicomponent Tandem Cyclizations: Access to Polyfunctional Dihydroindolizino[8,7-b]indoles.","Organic letters","2016","18","6","1342","1345","10.1021/acs.orglett.6b00281","","","0.71073","MoKα","","0.1","0.0489","","","0.1134","0.1436","","","","","","0.923","","","","has coordinates","181451","2020-10-21","18:00:00",""
"1542574","12.2576","0.0016","19.07","0.002","11.4688","0.0015","90","","97.837","0.002","90","","2655.8","0.6","273","2","273","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H22 Cl3 N3 O3 -","- C28 H22 Cl3 N3 O3 -","- C112 H88 Cl12 N12 O12 -","4","1","","Cai, Qun; Li, Deng-Kui; Zhou, Rong-Rong; Shu, Wen-Ming; Wu, Yan-Dong; Wu, An-Xin","Acid-Catalyzed Multicomponent Tandem Cyclizations: Access to Polyfunctional Dihydroindolizino[8,7-b]indoles.","Organic letters","2016","18","6","1342","1345","10.1021/acs.orglett.6b00281","","","0.71073","MoKα","","0.0879","0.0722","","","0.202","0.2199","","","","","","1.03","","","","has coordinates,has disorder","181451","2020-10-21","18:00:00",""
"1542575","13.3161","0.0018","7.7509","0.0011","33.992","0.005","90","","90","","90","","3508.4","0.9","296","2","296","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C21 H15 Br N4 -","- C21 H15 Br N4 -","- C168 H120 Br8 N32 -","8","1","","Cai, Qun; Li, Deng-Kui; Zhou, Rong-Rong; Shu, Wen-Ming; Wu, Yan-Dong; Wu, An-Xin","Acid-Catalyzed Multicomponent Tandem Cyclizations: Access to Polyfunctional Dihydroindolizino[8,7-b]indoles.","Organic letters","2016","18","6","1342","1345","10.1021/acs.orglett.6b00281","","","0.71073","MoKα","","0.1112","0.0562","","","0.1338","0.1597","","","","","","1.028","","","","has coordinates","181451","2020-10-21","18:00:00",""
"1542576","7.2935","0.0006","8.8494","0.0008","19.329","0.0017","90","","90","","90","","1247.55","0.19","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C14 H16 O4 -","- C14 H16 O4 -","- C56 H64 O16 -","4","1","","Sun, Wang-Bin; Wang, Xuan; Sun, Bing-Feng; Zou, Jian-Ping; Lin, Guo-Qiang","Catalytic Asymmetric Total Synthesis of Hedyosumins A, B, and C.","Organic letters","2016","18","6","1219","1221","10.1021/acs.orglett.6b00150","","","0.71073","MoKα","","0.0468","0.0417","","","0.1092","0.113","","","","","","1.057","","","","has coordinates","181460","2020-10-21","18:00:00",""
"1542577","5.5435","0.0006","7.7426","0.0009","27.879","0.003","90","","90","","90","","1196.6","0.2","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C14 H16 O4 -","- C14 H16 O4 -","- C56 H64 O16 -","4","1","","Sun, Wang-Bin; Wang, Xuan; Sun, Bing-Feng; Zou, Jian-Ping; Lin, Guo-Qiang","Catalytic Asymmetric Total Synthesis of Hedyosumins A, B, and C.","Organic letters","2016","18","6","1219","1221","10.1021/acs.orglett.6b00150","","","0.71073","MoKα","","0.0519","0.0497","","","0.1155","0.1179","","","","","","1.065","","","","has coordinates","181460","2020-10-21","18:00:00",""
"1542578","7.1145","0.0002","7.6417","0.0002","15.3159","0.0005","93.275","0.001","97.569","0.001","113.744","0.001","749.96","0.04","123","","123","","","","","","","","see text","5","P -1","-P 1","2","","","","- C16 H11 F3 Mo O3 -","- C16 H11 F3 Mo O3 -","- C32 H22 F6 Mo2 O6 -","2","1","","Reich, Robert M.; Kaposi, Marlene; Pöthig, Alexander; Kühn, Fritz E.","Kinetic studies of fluorinated aryl molybdenum(ii) tricarbonyl precursors in epoxidation catalysis","Catal. Sci. Technol.","2016","6","13","4970","","10.1039/C5CY02220G","","x-ray","0.71073","MoKα","","0.0258","0.0244","","","0.0585","0.0594","","","","","","1.069","","","","has coordinates,has disorder","211179","2020-10-21","18:00:00",""
"1542579","7.2471","0.0004","31.8822","0.0018","6.7406","0.0003","90","","104.266","0.003","90","","1509.41","0.14","123","","123","","","","","","","","see text","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H11 F3 Mo O3 -","- C16 H11 F3 Mo O3 -","- C64 H44 F12 Mo4 O12 -","4","1","","Reich, Robert M.; Kaposi, Marlene; Pöthig, Alexander; Kühn, Fritz E.","Kinetic studies of fluorinated aryl molybdenum(ii) tricarbonyl precursors in epoxidation catalysis","Catal. Sci. Technol.","2016","6","13","4970","","10.1039/C5CY02220G","","x-ray","0.71073","MoKα","","0.0504","0.0328","","","0.0681","0.0739","","","","","","1.056","","","","has coordinates,has disorder","211179","2020-10-21","18:00:00",""
"1542580","8.9791","0.0006","12.3295","0.0008","13.7453","0.0009","90","","100.651","0.003","90","","1495.49","0.17","123","","123","","","","","","","","see text","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H11 F3 Mo O3 -","- C16 H11 F3 Mo O3 -","- C64 H44 F12 Mo4 O12 -","4","1","","Reich, Robert M.; Kaposi, Marlene; Pöthig, Alexander; Kühn, Fritz E.","Kinetic studies of fluorinated aryl molybdenum(ii) tricarbonyl precursors in epoxidation catalysis","Catal. Sci. Technol.","2016","6","13","4970","","10.1039/C5CY02220G","","x-ray","0.71073","MoKα","","0.1497","0.0624","","","0.1027","0.1299","","","","","","1.003","","","","has coordinates","211179","2020-10-21","18:00:00",""
"1542581","8.4202","0.0004","10.2245","0.0006","10.5319","0.0007","101.377","0.003","102.663","0.003","103.044","0.003","832.29","0.09","100","","100","","","","","","","","see text","5","P -1","-P 1","2","","","","- C17 H10 F6 Mo O3 -","- C17 H10 F6 Mo O3 -","- C34 H20 F12 Mo2 O6 -","2","1","","Reich, Robert M.; Kaposi, Marlene; Pöthig, Alexander; Kühn, Fritz E.","Kinetic studies of fluorinated aryl molybdenum(ii) tricarbonyl precursors in epoxidation catalysis","Catal. Sci. Technol.","2016","6","13","4970","","10.1039/C5CY02220G","","x-ray","0.71073","MoKα","","0.0295","0.0242","","","0.0488","0.0506","","","","","","1.058","","","","has coordinates","211179","2020-10-21","18:00:00",""
"1542582","11.0798","0.00008","21.9977","0.00013","11.88015","0.00009","90","","102.003","0.0007","90","","2832.25","0.03","99.9","0.3","99.9","0.3","","","","","","","","5","P 1 21 1","P 2yb","4","","(S)-({2-[1-(benzyl)pyrrolidine-2-carboxamide]-phenyl}phenylmethylene)-(S)-pentenylglycinato-N,N',N?,O}nickel(II)","","- C32 H33 N3 Ni O3 -","- C32 H33 N3 Ni O3 -","- C128 H132 N12 Ni4 O12 -","4","2","","Miles, Jennifer A.; Yeo, David J.; Rowell, Philip; Rodriguez-Marin, Silvia; Pask, Christopher M.; Warriner, Stuart L.; Edwards, Thomas A.; Wilson, Andrew J.","Hydrocarbon constrained peptides ‒ understanding preorganisation and binding affinity","Chem. Sci.","2016","7","6","3694","","10.1039/C5SC04048E","","","1.54184","CuKα","","0.0285","0.0274","","","0.0688","0.0696","","","","","","1.037","","","","has coordinates,has disorder","185140","2020-10-21","18:00:00",""
"1542583","7.7263","0.0014","11.203","0.002","11.9","0.002","94.504","0.01","108.019","0.01","93.687","0.01","972.2","0.3","110","2","110.15","","","","","","","","","6","P -1","-P 1","2","","","","- C16 H11 Fe3 N O7 S2 -","- C16 H11 Fe3 N O7 S2 -","- C32 H22 Fe6 N2 O14 S4 -","2","1","","Lunsford, Allen M.; Beto, Christopher C.; Ding, Shengda; Erdem, Özlen F.; Wang, Ning; Bhuvanesh, Nattamai; Hall, Michael B.; Darensbourg, Marcetta Y.","Cyanide-bridged iron complexes as biomimetics of tri-iron arrangements in maturases of the H cluster of the di-iron hydrogenase","Chem. Sci.","2016","7","6","3710","","10.1039/C6SC00213G","","","0.71073","MoKα","","0.038","0.0317","","","0.0756","0.0788","","","","","","1.051","","","","has coordinates,has disorder","185144","2020-10-21","18:00:00",""
"1542584","11.3103","0.0015","12.9416","0.0018","15.479","0.002","105.449","0.005","100.216","0.005","110.921","0.004","1944.2","0.5","150.15","","150.15","","","","","","","","","7","P -1","-P 1","2","","","","- C40 H35 Fe3 N O5 P2 S2 -","- C40 H35 Fe3 N O5 P2 S2 -","- C80 H70 Fe6 N2 O10 P4 S4 -","2","1","","Lunsford, Allen M.; Beto, Christopher C.; Ding, Shengda; Erdem, Özlen F.; Wang, Ning; Bhuvanesh, Nattamai; Hall, Michael B.; Darensbourg, Marcetta Y.","Cyanide-bridged iron complexes as biomimetics of tri-iron arrangements in maturases of the H cluster of the di-iron hydrogenase","Chem. Sci.","2016","7","6","3710","","10.1039/C6SC00213G","","","0.71073","MoKα","","0.0469","0.0366","","","0.0864","0.0946","","","","","","1.037","","","","has coordinates","185144","2020-10-21","18:00:00",""
"1542585","10.4593","0.0005","11.6085","0.0006","12.256","0.0006","76.988","0.002","85.341","0.002","81.75","0.002","1433.02","0.12","110.15","","110.15","","","","","","","","","8","P -1","-P 1","2","","","","- C20.2 H22.23 B F4 Fe3 N4.6 O6.72 S2 -","- C20.2 H22.234 B F4 Fe3 N4.6 O6.717 S2 -","- C40.4 H44.468 B2 F8 Fe6 N9.2 O13.434 S4 -","2","1","","Lunsford, Allen M.; Beto, Christopher C.; Ding, Shengda; Erdem, Özlen F.; Wang, Ning; Bhuvanesh, Nattamai; Hall, Michael B.; Darensbourg, Marcetta Y.","Cyanide-bridged iron complexes as biomimetics of tri-iron arrangements in maturases of the H cluster of the di-iron hydrogenase","Chem. Sci.","2016","7","6","3710","","10.1039/C6SC00213G","","","0.71073","MoKα","","0.0658","0.052","","","0.1487","0.1629","","","","","","1.055","","","","has coordinates,has disorder","185144","2020-10-21","18:00:00",""
"1542586","13.352","0.005","13.623","0.005","24.074","0.008","92.828","0.005","94.41","0.005","99.584","0.005","4296","3","150.15","","150.15","","","","","","","","","9","P -1","-P 1","2","","","","- C80 H75 B F24 Fe3 N O4 P4 S2 -","- C80 H75 B F24 Fe3 N O4 P4 S2 -","- C160 H150 B2 F48 Fe6 N2 O8 P8 S4 -","2","1","","Lunsford, Allen M.; Beto, Christopher C.; Ding, Shengda; Erdem, Özlen F.; Wang, Ning; Bhuvanesh, Nattamai; Hall, Michael B.; Darensbourg, Marcetta Y.","Cyanide-bridged iron complexes as biomimetics of tri-iron arrangements in maturases of the H cluster of the di-iron hydrogenase","Chem. Sci.","2016","7","6","3710","","10.1039/C6SC00213G","","","0.71073","MoKα","","0.1091","0.079","","","0.2135","0.2317","","","","","","1.082","","","","has coordinates","185144","2020-10-21","18:00:00",""
"1542587","7.856","0.005","11.799","0.007","14.315","0.008","66.98","0.014","77.401","0.015","74.377","0.016","1166.6","1.2","293","2","293","2","","","","","","","Synthesized","4","P -1","-P 1","2","","","","- C25 H23 N5 O8 -","- C25 H19 N5 O8.52 -","- C50 H38 N10 O17.04 -","2","1","","Biswas, Arnab; Dubey, Mrigendra; Mukhopadhyay, Sujay; Kumar, Ashish; Pandey, Daya Shankar","Anion triggered metallogels: demetalation and crystal growth inside the gel matrix and improvement in viscoelastic properties using Au-NPs.","Soft matter","2016","12","12","2997","3003","10.1039/c5sm02464a","","","0.71066","MoKα","","0.2665","0.1021","","","0.1971","0.2479","","","","","","1.128","","","","has coordinates","181812","2020-10-21","18:00:00",""
"1542589","11.1357","0.0009","10.6585","0.0008","17.1362","0.0015","90","","90.608","0.001","90","","2033.8","0.3","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C25 H25 N O -","- C25 H25 N O -","- C100 H100 N4 O4 -","4","1","","Wang, Nan-Nan; Huang, Lei-Rong; Hao, Wen-Juan; Zhang, Tian-Shu; Li, Guigen; Tu, Shu-Jiang; Jiang, Bo","Synergistic Rhodium/Copper Catalysis: Synthesis of 1,3-Enynes and N-Aryl Enaminones.","Organic letters","2016","18","6","1298","1301","10.1021/acs.orglett.6b00238","","","0.71073","MoKα","","0.1808","0.0494","","","0.0647","0.0762","","","","","","0.944","","","","has coordinates","181459","2020-10-21","18:00:00",""
"1542590","13.2144","0.0012","5.6194","0.0005","14.8801","0.0013","90","","111.914","0.002","90","","1025.11","0.16","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C26 H21 Cl O -","- C26 H21 Cl O -","- C52 H42 Cl2 O2 -","2","1","","Wang, Nan-Nan; Huang, Lei-Rong; Hao, Wen-Juan; Zhang, Tian-Shu; Li, Guigen; Tu, Shu-Jiang; Jiang, Bo","Synergistic Rhodium/Copper Catalysis: Synthesis of 1,3-Enynes and N-Aryl Enaminones.","Organic letters","2016","18","6","1298","1301","10.1021/acs.orglett.6b00238","","","0.71073","MoKα","","0.1724","0.0676","","","0.0701","0.1065","","","","","","0.973","","","","has coordinates","181459","2020-10-21","18:00:00",""
"1542591","10.0013","0.0012","14.5831","0.001","24.366","0.004","75.428","0.016","87.017","0.019","71.26","0.02","3255.5","0.8","93","2","93","2","","","","","","","","4","P -1","-P 1","2","","Quadruply Phenylene-fused Porphyrin Tape","","- C79.27 H80.86 N5.59 Zn -","- C79.282 H78.252 N5.594 Zn -","- C158.564 H156.504 N11.188 Zn2 -","2","1","","Fukui, Norihito; Lee, Seung-Kyu; Kato, Kenichi; Shimizu, Daiki; Tanaka, Takayuki; Lee, Sangsu; Yorimitsu, Hideki; Kim, Dongho; Osuka, Atsuhiro","Regioselective phenylene-fusion reactions of Ni(ii)-porphyrins controlled by an electron-withdrawing meso-substituent","Chem. Sci.","2016","7","7","4059","","10.1039/C5SC04748J","","","1.54187","CuKα","","0.0628","0.0531","","","0.1409","0.1531","","","","","","1.018","","","","has coordinates,has disorder","185114","2020-10-21","18:00:00",""
"1542592","11.0983","0.0014","34.992","0.005","32.965","0.004","90","","90","","90","","12802","3","93","2","93","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","doubly 10,12- and 18,20-phenylene-fused meso-nitoroporphyrin","","- C64.5 H68 Cl7.5 N5 Ni O2 -","- C64.5 H68 Cl7.5 N5 Ni O2 -","- C516 H544 Cl60 N40 Ni8 O16 -","8","1","","Fukui, Norihito; Lee, Seung-Kyu; Kato, Kenichi; Shimizu, Daiki; Tanaka, Takayuki; Lee, Sangsu; Yorimitsu, Hideki; Kim, Dongho; Osuka, Atsuhiro","Regioselective phenylene-fusion reactions of Ni(ii)-porphyrins controlled by an electron-withdrawing meso-substituent","Chem. Sci.","2016","7","7","4059","","10.1039/C5SC04748J","","","1.54187","CuKα","","0.1107","0.0921","","","0.2589","0.2889","","","","","","1.047","","","","has coordinates,has disorder","185114","2020-10-21","18:00:00",""
"1542593","14.734","0.006","20.554","0.008","20.788","0.009","90.073","0.008","103.209","0.015","109.518","0.005","5756","4","93","2","93","2","","","","","","","","5","P -1","-P 1","2","","13,15-phenylene-fused meso-nitroporphyrin","","- C69 H77 N5 Ni O2 -","- C69 H77 N5 Ni O2 -","- C276 H308 N20 Ni4 O8 -","4","2","","Fukui, Norihito; Lee, Seung-Kyu; Kato, Kenichi; Shimizu, Daiki; Tanaka, Takayuki; Lee, Sangsu; Yorimitsu, Hideki; Kim, Dongho; Osuka, Atsuhiro","Regioselective phenylene-fusion reactions of Ni(ii)-porphyrins controlled by an electron-withdrawing meso-substituent","Chem. Sci.","2016","7","7","4059","","10.1039/C5SC04748J","","","1.54187","CuKα","","0.1832","0.1419","","","0.3453","0.3713","","","","","","1.097","","","","has coordinates","185114","2020-10-21","18:00:00",""
"1542594","12.3714","0.0016","28.233","0.003","41.36","0.006","90","","96.168","0.004","90","","14363","3","93","2","93","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","doubly 10,12- and 18,20-phenylene-fused meso-diphenylphosphinylporphyrin","","- C74 H77 N4 Ni O P -","- C74.6667 H80.8889 N3.55556 Ni0.888889 O2.22222 P0.888889 -","- C672 H728 N32 Ni8 O20 P8 -","9","2.25","","Fukui, Norihito; Lee, Seung-Kyu; Kato, Kenichi; Shimizu, Daiki; Tanaka, Takayuki; Lee, Sangsu; Yorimitsu, Hideki; Kim, Dongho; Osuka, Atsuhiro","Regioselective phenylene-fusion reactions of Ni(ii)-porphyrins controlled by an electron-withdrawing meso-substituent","Chem. Sci.","2016","7","7","4059","","10.1039/C5SC04748J","","","1.54187","CuKα","","0.1063","0.0739","","","0.1927","0.233","","","","","","1.049","","","","has coordinates,has disorder","185114","2020-10-21","18:00:00",""
"1542595","11.12","0.002","12.074","0.003","15.487","0.004","69.218","0.004","72.309","0.004","70.811","0.004","1794.3","0.7","130","","130","","","","","","","","","7","P -1","-P 1","2","","","","- C44 H36 Br N O P2 Pd -","- C44 H36 Br N O P2 Pd -","- C88 H72 Br2 N2 O2 P4 Pd2 -","2","1","","Wu, Jiang; Liu, Yafei; Lu, Changhui; Shen, Qilong","Palladium-catalyzed difluoromethylthiolation of heteroaryl bromides, iodides, triflates and aryl iodides","Chem. Sci.","2016","7","6","3757","","10.1039/C6SC00082G","","","0.71073","MoKα","","0.0928","0.0544","","","0.1207","0.1383","","","","","","0.972","","","","has coordinates","185141","2020-10-21","18:00:00",""
"1542596","7.2371","0.0007","9.8802","0.001","15.9674","0.0016","90","","97.002","0.002","90","","1133.2","0.2","199","2","199","2","","","","","","","","6","P 1 21 1","P 2yb","4","19a","","","- C18 H27 Cl N2 O12 S -","- C18 H27 Cl N2 O12 S -","- C36 H54 Cl2 N4 O24 S2 -","2","1","","Liang, Yong; Suzol, Sazzad H.; Wen, Zhiwei; Artiles, Alain G.; Mathivathanan, Logesh; Raptis, Raphael G.; Wnuk, Stanislaw F.","Uracil Nucleosides with Reactive Group at C5 Position: 5-(1-Halo-2-sulfonylvinyl)uridine Analogues.","Organic letters","2016","18","6","1418","1421","10.1021/acs.orglett.6b00346","","","0.71073","MoKα","","0.0764","0.0597","","","0.1166","0.1251","","","","","","1.156","","","","has coordinates","181456","2020-10-21","18:00:00",""
"1542597","8.2793","0.0012","22.107","0.004","12.8092","0.0019","90","","105.304","0.003","90","","2261.3","0.6","292","2","292","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","24","","","- C23 H24 N2 O4 S2 -","- C23 H24 N2 O4 S2 -","- C92 H96 N8 O16 S8 -","4","1","","Liang, Yong; Suzol, Sazzad H.; Wen, Zhiwei; Artiles, Alain G.; Mathivathanan, Logesh; Raptis, Raphael G.; Wnuk, Stanislaw F.","Uracil Nucleosides with Reactive Group at C5 Position: 5-(1-Halo-2-sulfonylvinyl)uridine Analogues.","Organic letters","2016","18","6","1418","1421","10.1021/acs.orglett.6b00346","","","0.71073","MoKα","","0.1719","0.0759","","","0.1066","0.132","","","","","","1.027","","","","has coordinates,has disorder","181456","2020-10-21","18:00:00",""
"1542598","17.751","0.004","6.9635","0.0016","26.097","0.005","90","","107.904","0.006","90","","3069.6","1.2","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C41 H32 N2 O -","- C41 H32 N2 O -","- C164 H128 N8 O4 -","4","1","","Jiang, Pingping; Xu, Yongbao; Sun, Fuxing; Liu, Xufei; Li, Feng; Yu, Renfu; Li, Yang; Wang, Qifeng","Pd(II)-Catalyzed ortho-C-H Olefination/Dearomatization of N-Aryl Ureas: An Approach to Imine Derivatives.","Organic letters","2016","18","6","1426","1429","10.1021/acs.orglett.6b00363","","x-ray","0.71073","MoKα","","0.1028","0.0491","","","0.1029","0.1262","","","","","","0.891","","","","has coordinates","181458","2020-10-21","18:00:00",""
"1542599","20.5458","0.0011","14.0737","0.0007","20.9813","0.0011","90","","108.671","0.002","90","","5747.6","0.5","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C37 H30 N2 O -","- C37 H30 N2 O -","- C296 H240 N16 O8 -","8","2","","Jiang, Pingping; Xu, Yongbao; Sun, Fuxing; Liu, Xufei; Li, Feng; Yu, Renfu; Li, Yang; Wang, Qifeng","Pd(II)-Catalyzed ortho-C-H Olefination/Dearomatization of N-Aryl Ureas: An Approach to Imine Derivatives.","Organic letters","2016","18","6","1426","1429","10.1021/acs.orglett.6b00363","","x-ray","0.71073","MoKα","","0.1489","0.0549","","","0.1121","0.1543","","","","","","0.978","","","","has coordinates","182022","2020-10-21","18:00:00",""
"1542600","19.0371","0.0013","9.7457","0.0007","18.7726","0.0012","90","","114.993","0.002","90","","3156.7","0.4","296","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C41 H32 N2 O -","- C41 H32 N2 O -","- C164 H128 N8 O4 -","4","1","","Jiang, Pingping; Xu, Yongbao; Sun, Fuxing; Liu, Xufei; Li, Feng; Yu, Renfu; Li, Yang; Wang, Qifeng","Pd(II)-Catalyzed ortho-C-H Olefination/Dearomatization of N-Aryl Ureas: An Approach to Imine Derivatives.","Organic letters","2016","18","6","1426","1429","10.1021/acs.orglett.6b00363","","","0.71073","MoKα","","0.1247","0.0511","","","0.1101","0.1446","","","","","","0.999","","","","has coordinates","181458","2020-10-21","18:00:00",""
"1542601","6.4998","0.0002","7.4286","0.0002","14.8289","0.0004","84.859","0.002","86.707","0.002","83.313","0.002","707.47","0.03","295","2","295","2","","","","","","","","6","P -1","-P 1","2","","(<i>E</i>)-4-Chloro-<i>N</i>'-(2,4,5-trifluorobenzylidene)benzohydrazide","","- C14 H8 Cl F3 N2 O -","- C14 H8 Cl F3 N2 O -","- C28 H16 Cl2 F6 N4 O2 -","2","1","IS4002","Maheswari, R.; Manjula, J.; Gunasekaran, B.","(<i>E</i>)-4-Chloro-<i>N</i>'-(2,4,5-trifluorobenzylidene)benzohydrazide","IUCrData","2016","1","3","x160304","","10.1107/S2414314616003047","","","0.71073","MoKα","","0.0579","0.0419","","","0.1111","0.1203","","","","","","0.994","","","","has coordinates,has Fobs","181479","2020-10-21","18:00:00",""
"1542602","9.9339","0.0011","10.6614","0.0009","12.6802","0.0014","90","","105.863","0.011","90","","1291.8","0.2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","5-Hydroxy-1-(2-hydroxybenzoyl)-3-methyl-5-(trifluoromethyl)pyrazoline","(5-Hydroxy-3-methyl-5-trifluoromethyl-4,5-dihydro-1<i>H</i>-pyrazol-1-yl)(2-hydroxyphenyl)methanone","","- C12 H11 F3 N2 O3 -","- C12 H11 F3 N2 O3 -","- C48 H44 F12 N8 O12 -","4","1","SU4011","Avezov, Kuvondik G.; Umarov, Bako B.; Talipov, Samat A.; Kunafiev, Rishad J.; Ibragimov, Bakhtiyar T.","(5-Hydroxy-3-methyl-5-trifluoromethyl-4,5-dihydro-1<i>H</i>-pyrazol-1-yl)(2-hydroxyphenyl)methanone","IUCrData","2016","1","3","x160316","","10.1107/S2414314616003163","","","1.54184","CuKα","","0.0906","0.0504","","","0.119","0.1447","","","","","","1.038","","","","has coordinates,has Fobs","177156","2020-10-21","18:00:00",""
"1542603","3.8512","0.0006","19.078","0.003","21.23","0.003","90","","91.015","0.004","90","","1559.6","0.4","160","2","160","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C13 H9 N5 O2 -","- C13 H9 N5 O2 -","- C52 H36 N20 O8 -","4","1","","Kaloo, Masood Ayoub; Sunder Raman, Ramya; Sankar, Jeyaraman","Novel structurally tuned DAMN receptor for ""in situ"" diagnosis of bicarbonate in environmental waters.","The Analyst","2016","141","8","2367","2370","10.1039/c6an00218h","","","0.71073","MoKα","","0.1217","0.072","","","0.2212","0.2442","","","","","","1.085","","","","has coordinates","182593","2020-10-21","18:00:00",""
"1542604","7.2023","0.0003","13.3209","0.0004","16.1663","0.0005","90","","93.426","0.002","90","","1548.24","0.09","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C14 H23 O5 Rh -","- C14 H23 O5 Rh -","- C56 H92 O20 Rh4 -","4","1","","Jardim, Guilherme A. M.; da Silva Júnior, Eufrânio N.; Bower, John F.","Overcoming naphthoquinone deactivation: rhodium-catalyzed C-5 selective C‒H iodination as a gateway to functionalized derivatives","Chem. Sci.","2016","7","6","3780","","10.1039/C6SC00302H","","","0.71073","MoKα","","0.0376","0.0278","","","0.0463","0.0487","","","","","","1.038","","","","has coordinates","185145","2020-10-21","18:00:00",""
"1542605","28.1638","0.0009","28.1638","0.0009","8.1635","0.0003","90","","90","","120","","5607.8","0.3","100","2","100","2","","","","","","","","5","R -3","-R 3","148","","","","- C20 H24 Cl4 F6 Rh2 -","- C20 H24 Cl4 F6 Rh2 -","- C180 H216 Cl36 F54 Rh18 -","9","","","Jardim, Guilherme A. M.; da Silva Júnior, Eufrânio N.; Bower, John F.","Overcoming naphthoquinone deactivation: rhodium-catalyzed C-5 selective C‒H iodination as a gateway to functionalized derivatives","Chem. Sci.","2016","7","6","3780","","10.1039/C6SC00302H","","","0.71073","MoKα","","0.0544","0.0309","","","0.0491","0.0532","","","","","","0.611","","","","has coordinates","185145","2020-10-21","18:00:00",""
"1542606","8.2993","0.0002","8.9088","0.0002","9.3961","0.0002","102.335","0.0011","106.607","0.0011","94.5603","0.0011","643","0.03","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C24 H38 Cl4 Rh2 -","- C24 H38 Cl4 Rh2 -","- C24 H38 Cl4 Rh2 -","1","0.5","","Jardim, Guilherme A. M.; da Silva Júnior, Eufrânio N.; Bower, John F.","Overcoming naphthoquinone deactivation: rhodium-catalyzed C-5 selective C‒H iodination as a gateway to functionalized derivatives","Chem. Sci.","2016","7","6","3780","","10.1039/C6SC00302H","","","0.71073","MoKα","","0.0176","0.0163","","","0.0388","0.0393","","","","","","1.054","","","","has coordinates","185145","2020-10-21","18:00:00",""
"1542607","7.7536","0.0003","8.2731","0.0003","14.2858","0.0005","73.2168","0.0012","78.223","0.0015","85.339","0.0008","858.63","0.06","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C10 H5 I O2 -","- C10 H5 I O2 -","- C40 H20 I4 O8 -","4","2","","Jardim, Guilherme A. M.; da Silva Júnior, Eufrânio N.; Bower, John F.","Overcoming naphthoquinone deactivation: rhodium-catalyzed C-5 selective C‒H iodination as a gateway to functionalized derivatives","Chem. Sci.","2016","7","6","3780","","10.1039/C6SC00302H","","","0.71073","MoKα","","0.0164","0.0159","","","0.0403","0.0407","","","","","","1.163","","","","has coordinates","185145","2020-10-21","18:00:00",""
"1542608","8.1168","0.0003","7.9198","0.0002","15.1553","0.0005","90","","93.0671","0.0015","90","","972.84","0.05","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C11 H7 I O3 -","- C11 H7 I O3 -","- C44 H28 I4 O12 -","4","1","","Jardim, Guilherme A. M.; da Silva Júnior, Eufrânio N.; Bower, John F.","Overcoming naphthoquinone deactivation: rhodium-catalyzed C-5 selective C‒H iodination as a gateway to functionalized derivatives","Chem. Sci.","2016","7","6","3780","","10.1039/C6SC00302H","","","0.71073","MoKα","","0.0145","0.0135","","","0.0331","0.0335","","","","","","1.049","","","","has coordinates","185145","2020-10-21","18:00:00",""
"1542609","17.2465","0.0004","16.7627","0.0003","7.5137","0.0002","90","","91.9216","0.0012","90","","2170.97","0.09","100","","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C12 H9 I O3 -","- C12 H9 I O3 -","- C96 H72 I8 O24 -","8","2","","Jardim, Guilherme A. M.; da Silva Júnior, Eufrânio N.; Bower, John F.","Overcoming naphthoquinone deactivation: rhodium-catalyzed C-5 selective C‒H iodination as a gateway to functionalized derivatives","Chem. Sci.","2016","7","6","3780","","10.1039/C6SC00302H","","","0.71073","MoKα","","0.025","0.0202","","","0.0472","0.0492","","","","","","1.029","","","","has coordinates","185145","2020-10-21","18:00:00",""
"1542610","7.7794","0.0003","9.0897","0.0003","13.9834","0.0005","90","","99.5625","0.0014","90","","975.06","0.06","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C10 H4 I N O4 -","- C10 H4 I N O4 -","- C40 H16 I4 N4 O16 -","4","1","","Jardim, Guilherme A. M.; da Silva Júnior, Eufrânio N.; Bower, John F.","Overcoming naphthoquinone deactivation: rhodium-catalyzed C-5 selective C‒H iodination as a gateway to functionalized derivatives","Chem. Sci.","2016","7","6","3780","","10.1039/C6SC00302H","","","0.71073","MoKα","","0.0153","0.0145","","","0.0341","0.0344","","","","","","1.109","","","","has coordinates","185145","2020-10-21","18:00:00",""
"1542611","5.0752","0.0001","6.1752","0.0002","30.9217","0.0011","90","","90","","90","","969.1","0.05","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C10 H4 Br I O2 -","- C10 H4 Br I O2 -","- C40 H16 Br4 I4 O8 -","4","1","","Jardim, Guilherme A. M.; da Silva Júnior, Eufrânio N.; Bower, John F.","Overcoming naphthoquinone deactivation: rhodium-catalyzed C-5 selective C‒H iodination as a gateway to functionalized derivatives","Chem. Sci.","2016","7","6","3780","","10.1039/C6SC00302H","","","0.71073","MoKα","","0.0313","0.0278","","","0.0486","0.0493","","","","","","1.127","","","","has coordinates","185145","2020-10-21","18:00:00",""
"1542612","7.1805","0.0002","8.2069","0.0003","10.2503","0.0003","67.006","0.002","88.761","0.002","69.374","0.002","515.67","0.03","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C10 H3 Br2 I O2 -","- C10 H3 Br2 I O2 -","- C20 H6 Br4 I2 O4 -","2","1","","Jardim, Guilherme A. M.; da Silva Júnior, Eufrânio N.; Bower, John F.","Overcoming naphthoquinone deactivation: rhodium-catalyzed C-5 selective C‒H iodination as a gateway to functionalized derivatives","Chem. Sci.","2016","7","6","3780","","10.1039/C6SC00302H","","","0.71073","MoKα","","0.0277","0.0212","","","0.0489","0.051","","","","","","1.045","","","","has coordinates","185145","2020-10-21","18:00:00",""
"1542613","14.1706","0.0008","4.1298","0.0002","15.9165","0.001","90","","106.661","0.004","90","","892.36","0.09","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C10 H5 I O2 -","- C10 H5 I O2 -","- C40 H20 I4 O8 -","4","1","","Jardim, Guilherme A. M.; da Silva Júnior, Eufrânio N.; Bower, John F.","Overcoming naphthoquinone deactivation: rhodium-catalyzed C-5 selective C‒H iodination as a gateway to functionalized derivatives","Chem. Sci.","2016","7","6","3780","","10.1039/C6SC00302H","","","0.71073","MoKα","","0.0617","0.0414","","","0.0932","0.1009","","","","","","1.004","","","","has coordinates","185145","2020-10-21","18:00:00",""
"1542614","13.9652","0.0006","4.4527","0.0002","16.4351","0.0006","90","","102.327","0.003","90","","998.42","0.07","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C10 H4 I2 O2 -","- C10 H4 I2 O2 -","- C40 H16 I8 O8 -","4","1","","Jardim, Guilherme A. M.; da Silva Júnior, Eufrânio N.; Bower, John F.","Overcoming naphthoquinone deactivation: rhodium-catalyzed C-5 selective C‒H iodination as a gateway to functionalized derivatives","Chem. Sci.","2016","7","6","3780","","10.1039/C6SC00302H","","","0.71073","MoKα","","0.0289","0.022","","","0.0408","0.0426","","","","","","1.029","","","","has coordinates","185145","2020-10-21","18:00:00",""
"1542615","7.7808","0.0005","8.1027","0.0005","12.8379","0.0009","90","","94.413","0.005","90","","806.97","0.09","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C10 H5 Br O2 -","- C10 H5 Br O2 -","- C40 H20 Br4 O8 -","4","1","","Jardim, Guilherme A. M.; da Silva Júnior, Eufrânio N.; Bower, John F.","Overcoming naphthoquinone deactivation: rhodium-catalyzed C-5 selective C‒H iodination as a gateway to functionalized derivatives","Chem. Sci.","2016","7","6","3780","","10.1039/C6SC00302H","","","0.71073","MoKα","","0.0327","0.0248","","","0.0569","0.06","","","","","","1.04","","","","has coordinates","185145","2020-10-21","18:00:00",""
"1542616","9.65924","0.00008","9.12014","0.00009","50.6162","0.0005","90","","91.6555","0.0009","90","","4457.1","0.07","100","0.5","100","0.5","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C57 H38 Cl3 -","- C57 H38 Cl3 -","- C228 H152 Cl12 -","4","1","","Zhang, Yun; Zhao, Engui; Deng, Haiqin; Lam, Jacky W. Y.; Tang, Ben Zhong","Development of a transition metal-free polymerization route to functional conjugated polydiynes from a haloalkyne-based organic reaction","Polym. Chem.","2016","7","14","2492","","10.1039/C6PY00050A","","x-ray","1.54184","CuKα","","0.0973","0.0895","","","0.2148","0.2208","","","","","","1.002","","","","has coordinates,has disorder","181810","2020-10-21","18:00:00",""
"1542617","15.791","0.003","5.0056","0.0006","16.133","0.003","90","","122.52","0.02","90","","1075.3","0.4","293","2","293","2","","","","","","","Synthesized","4","C 1 2 1","C 2y","5","","","","- C9 H10 N3 O5 -","- C9 H10 N3 O5 -","- C36 H40 N12 O20 -","4","1","","Dixit, Manish Kumar; Pandey, Vinay Kumar; Dubey, Mrigendra","Alkali base triggered intramolecular charge transfer metallogels based on symmetrical A-π-D-chiral-D-π-A type ligands.","Soft matter","2016","12","15","3622","3630","10.1039/c6sm00372a","","","0.71073","MoKα","","0.086","0.0554","","","0.1116","0.1324","","","","","","1.038","","","","has coordinates","182805","2020-10-21","18:00:00",""
"1542618","7.5013","0.0001","11.6919","0.0002","14.619","0.0002","90","","103.882","0.001","90","","1244.7","0.03","140","2","140","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C27 H32 O8 -","- C27 H32 O8 -","- C54 H64 O16 -","2","1","","Wang, Guo-Cai; Yu, Jin-Hai; Shen, Yu; Leng, Ying; Zhang, Hua; Yue, Jian-Min","Limonoids and Triterpenoids as 11β-HSD1 Inhibitors from Walsura robusta.","Journal of natural products","2016","79","4","899","906","10.1021/acs.jnatprod.5b00952","","","1.54178","CuKα","","0.0424","0.0423","","","0.1051","0.1053","","","","","","1.062","","","","has coordinates","183583","2020-10-21","18:00:00",""
"1542619","7.4553","0.0002","12.0869","0.0004","28.1295","0.0007","90","","90.18","0.002","90","","2534.78","0.13","296","2","296.15","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C27 H34 O8 -","- C27 H34 O8 -","- C108 H136 O32 -","4","2","","Wang, Guo-Cai; Yu, Jin-Hai; Shen, Yu; Leng, Ying; Zhang, Hua; Yue, Jian-Min","Limonoids and Triterpenoids as 11β-HSD1 Inhibitors from Walsura robusta.","Journal of natural products","2016","79","4","899","906","10.1021/acs.jnatprod.5b00952","","","1.54178","CuKα","","0.0477","0.0432","","","0.1106","0.1147","","","","","","1.025","","","","has coordinates","183583","2020-10-21","18:00:00",""
"1542620","11.4484","0.0005","18.1806","0.001","25.8417","0.0012","90","","98.082","0.004","90","","5325.2","0.5","293","2","293","2","","","","","","","","3","C 1 2 1","C 2y","5","","","","- C27 H43 O5.5 -","- C27 H42 O5.25 -","- C216 H336 O42 -","8","2","","Liu, Zhaoming; Chen, Yan; Chen, Senhua; Liu, Yayue; Lu, Yongjun; Chen, Dongni; Lin, Yongcheng; Huang, Xishan; She, Zhigang","Aspterpenacids A and B, Two Sesterterpenoids from a Mangrove Endophytic Fungus Aspergillus terreus H010.","Organic letters","2016","18","6","1406","1409","10.1021/acs.orglett.6b00336","","","1.54178","CuKα","","0.1294","0.1006","","","0.2739","0.3189","","","","","","1.182","","","","has coordinates","214153","2020-10-21","18:00:00",""
"1542621","10.42","0.0013","11.567","0.0015","12.233","0.0017","60.629","0.007","74.155","0.012","87.858","0.013","1227.9","0.3","113","2","113","2","","","","","","","","4","P -1","-P 1","2","","","","- C26 H28 N3 O7.5 -","- C26 H28 N3 O7.5 -","- C52 H56 N6 O15 -","2","1","","Yang, Changjiang; Chen, Xiangyu; Tang, Tong; He, Zhengjie","Annulation Reaction of 3-Acylmethylidene Oxindoles with Huisgen Zwitterions and Its Applications in the Syntheses of Pyrrolo[4,3,2-de]quinolinones and Marine Alkaloids Ammosamides.","Organic letters","2016","18","6","1486","1489","10.1021/acs.orglett.6b00456","","","0.71075","MoKα","","0.0658","0.0492","","","0.1219","0.1316","","","","","","1.031","","","","has coordinates","181452","2020-10-21","18:00:00",""
"1542622","8.8587","0.0018","18.447","0.004","9.759","0.002","90","","110.87","0.03","90","","1490.1","0.6","113","2","113","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C14 H9 Cl N4 O7 -","- C14 H9 Cl N4 O7 -","- C56 H36 Cl4 N16 O28 -","4","1","","Yang, Changjiang; Chen, Xiangyu; Tang, Tong; He, Zhengjie","Annulation Reaction of 3-Acylmethylidene Oxindoles with Huisgen Zwitterions and Its Applications in the Syntheses of Pyrrolo[4,3,2-de]quinolinones and Marine Alkaloids Ammosamides.","Organic letters","2016","18","6","1486","1489","10.1021/acs.orglett.6b00456","","","0.71073","MoKα","","0.0433","0.0338","","","0.0894","0.0964","","","","","","1.019","","","","has coordinates","181452","2020-10-21","18:00:00",""
"1542623","8.201","0.004","11.187","0.005","17.705","0.007","91.352","0.004","103.004","0.007","105.472","0.006","1519.3","1.2","113","2","113","2","","","","","","","","5","P -1","-P 1","2","","","","- C33 H34 F N3 O7 -","- C33 H34 F N3 O7 -","- C66 H68 F2 N6 O14 -","2","1","","Yang, Changjiang; Chen, Xiangyu; Tang, Tong; He, Zhengjie","Annulation Reaction of 3-Acylmethylidene Oxindoles with Huisgen Zwitterions and Its Applications in the Syntheses of Pyrrolo[4,3,2-de]quinolinones and Marine Alkaloids Ammosamides.","Organic letters","2016","18","6","1486","1489","10.1021/acs.orglett.6b00456","","","0.71073","MoKα","","0.0791","0.048","","","0.0978","0.1068","","","","","","1.051","","","","has coordinates,has disorder","181452","2020-10-21","18:00:00",""
"1542624","10.485","0.0002","10.4852","0.0002","13.306","0.0003","79.14","0.03","67.26","0.03","76.51","0.03","1304","0.3","113","2","113","2","","","","","","","","4","P -1","-P 1","2","","","","- C30 H29 N3 O5 -","- C30 H29 N3 O5 -","- C60 H58 N6 O10 -","2","1","","Yang, Changjiang; Chen, Xiangyu; Tang, Tong; He, Zhengjie","Annulation Reaction of 3-Acylmethylidene Oxindoles with Huisgen Zwitterions and Its Applications in the Syntheses of Pyrrolo[4,3,2-de]quinolinones and Marine Alkaloids Ammosamides.","Organic letters","2016","18","6","1486","1489","10.1021/acs.orglett.6b00456","","","0.71073","MoKα","","0.0543","0.0346","","","0.0827","0.0882","","","","","","1.056","","","","has coordinates","181452","2020-10-21","18:00:00",""
"1542625","5.5058","0.0011","26.046","0.007","11.867","0.002","90","","97.83","0.03","90","","1685.9","0.6","293","2","293","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C23 H16 N2 O -","- C23 H16 N2 O -","- C92 H64 N8 O4 -","4","1","","Yang, Changjiang; Chen, Xiangyu; Tang, Tong; He, Zhengjie","Annulation Reaction of 3-Acylmethylidene Oxindoles with Huisgen Zwitterions and Its Applications in the Syntheses of Pyrrolo[4,3,2-de]quinolinones and Marine Alkaloids Ammosamides.","Organic letters","2016","18","6","1486","1489","10.1021/acs.orglett.6b00456","","","0.71073","MoKα","","0.0539","0.0345","","","0.0688","0.0742","","","","","","1.04","","","","has coordinates","181452","2020-10-21","18:00:00",""
"1542626","13.4022","0.0009","10.939","0.0006","16.5069","0.0011","90","","91.481","0.004","90","","2419.2","0.3","133","2","133","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C29 H27 N3 O5 -","- C29 H27 N3 O5 -","- C116 H108 N12 O20 -","4","1","","Yang, Changjiang; Chen, Xiangyu; Tang, Tong; He, Zhengjie","Annulation Reaction of 3-Acylmethylidene Oxindoles with Huisgen Zwitterions and Its Applications in the Syntheses of Pyrrolo[4,3,2-de]quinolinones and Marine Alkaloids Ammosamides.","Organic letters","2016","18","6","1486","1489","10.1021/acs.orglett.6b00456","","","0.71075","MoKα","","0.0681","0.0512","","","0.124","0.1348","","","","","","1.065","","","","has coordinates","181452","2020-10-21","18:00:00",""
"1542627","9.569","0.002","9.937","0.003","12.748","0.003","89.068","0.005","68.454","0.005","84.701","0.005","1122.4","0.5","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C23 H25 N2 O6 Re -","- C23 H25 N2 O6 Re -","- C46 H50 N4 O12 Re2 -","2","1","","Li, Dan; Chen, Yuanyuan; Wang, Xia; Deuther-Conrad, Winnie; Chen, Xin; Jia, Bing; Dong, Chengyan; Steinbach, Jörg; Brust, Peter; Liu, Boli; Jia, Hongmei","(99m)Tc-Cyclopentadienyl Tricarbonyl Chelate-Labeled Compounds as Selective Sigma-2 Receptor Ligands for Tumor Imaging.","Journal of medicinal chemistry","2016","59","3","934","946","10.1021/acs.jmedchem.5b01378","","","0.71073","MoKα","","0.0364","0.0311","","","0.0719","0.0748","","","","","","1.059","","","","has coordinates","177212","2020-10-21","18:00:00",""
"1542628","12.7129","0.0008","13.3917","0.0008","17.6166","0.0011","93.824","0.003","90.923","0.002","93.204","0.002","2987.2","0.3","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C63 H39 B F24 N3 P Pd -","- C63 H39 B F24 N3 P Pd -","- C126 H78 B2 F48 N6 P2 Pd2 -","2","1","","Ojwach, Stephen O.; Ogweno, Aloice O.; Akerman, Matthew P.","(Pyridyl)benzoazole palladium(ii) complexes as homogeneous catalysts in hydrogenation of alkenes and alkynes","Catal. Sci. Technol.","2016","6","13","5069","","10.1039/C5CY02204E","","","0.71073","MoKα","","0.0434","0.041","","","0.1009","0.1025","","","","","","1.035","","","","has coordinates,has disorder","185083","2020-10-21","18:00:00",""
"1542629","9.0373","0.0006","6.9446","0.0005","20.7426","0.0016","90","","100.138","0.004","90","","1281.49","0.16","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H12 N2 O2 -","- C16 H12 N2 O2 -","- C64 H48 N8 O8 -","4","1","","Dhanasekaran, Sivasankaran; Suneja, Arun; Bisai, Vishnumaya; Singh, Vinod K.","Approach to Isoindolinones, Isoquinolinones, and THIQs via Lewis Acid-Catalyzed Domino Strecker-Lactamization/Alkylations.","Organic letters","2016","18","4","634","637","10.1021/acs.orglett.5b03331","","","0.71073","MoKα","","0.0714","0.057","","","0.1748","0.1886","","","","","","1.142","","","","has coordinates","177285","2020-10-21","18:00:00",""
"1542630","8.4076","0.0001","9.6355","0.0001","20.2875","0.0003","90","","98.838","0.001","90","","1624.01","0.04","123","2","123","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C19 H20 N2 O3 -","- C19 H20 N2 O3 -","- C76 H80 N8 O12 -","4","1","","Dhanasekaran, Sivasankaran; Suneja, Arun; Bisai, Vishnumaya; Singh, Vinod K.","Approach to Isoindolinones, Isoquinolinones, and THIQs via Lewis Acid-Catalyzed Domino Strecker-Lactamization/Alkylations.","Organic letters","2016","18","4","634","637","10.1021/acs.orglett.5b03331","","","0.71073","MoKα","","0.0485","0.0389","","","0.1041","0.1143","","","","","","0.84","","","","has coordinates","177286","2020-10-21","18:00:00",""
"1542631","8.5688","0.001","19.141","0.003","21.222","0.003","90","","90","","90","","3480.7","0.8","296","","296","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C17 H22 N2 O5 -","- C17 H22 N2 O5 -","- C136 H176 N16 O40 -","8","1","","Izumi, Sanae; Kobayashi, Yusuke; Takemoto, Yoshiji","Catalytic Asymmetric Synthesis of anti-α,β-Diamino Acid Derivatives.","Organic letters","2016","18","4","696","699","10.1021/acs.orglett.5b03666","","","0.71075","MoKα","","0.1257","0.0704","","","0.1451","0.1697","","","","","","1.04","","","","has coordinates,has disorder","177287","2020-10-21","18:00:00",""
"1542632","10.8044","0.0014","6.7767","0.0008","12.3031","0.0014","90","","113.354","0.015","90","","827","0.2","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C19 H15 Br O4 -","- C19 H15 Br O4 -","- C38 H30 Br2 O8 -","2","1","","Sun, Xue-Li; Chen, Ying-Han; Zhu, Dan-Yang; Zhang, Yan; Liu, Yan-Kai","Substrate-Controlled, One-Pot Synthesis: Access to Chiral Chroman-2-one and Polycyclic Derivatives.","Organic letters","2016","18","4","864","867","10.1021/acs.orglett.6b00160","","","1.54184","CuKα","","0.0783","0.0577","","","0.1378","0.1759","","","","","","1.098","","","","has coordinates","177288","2020-10-21","18:00:00",""
"1542633","7.1955","0.0001","19.2595","0.0003","7.6395","0.0001","90","","101.353","0.002","90","","1037.98","0.03","291","2","291","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C23 H28 O5 -","- C23 H28 O5 -","- C46 H56 O10 -","2","1","","Wang, Peng; Li, Rui-Jun; Liu, Rui-Huan; Jian, Kai-Li; Yang, Ming-Hua; Yang, Lei; Kong, Ling-Yi; Luo, Jun","Sarglaperoxides A and B, Sesquiterpene-Normonoterpene Conjugates with a Peroxide Bridge from the Seeds of Sarcandra glabra.","Organic letters","2016","18","4","832","835","10.1021/acs.orglett.6b00112","","","1.54184","CuKα","","0.0361","0.0358","","","0.1017","0.1023","","","","","","1.039","","","","has coordinates","177289","2020-10-21","18:00:00",""
"1542634","10.6087","0.0013","12.4575","0.0014","10.8471","0.0015","90","","104.219","0.013","90","","1389.6","0.3","291.48","0.1","291.48","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H25 N O2 -","- C15 H25 N O2 -","- C60 H100 N4 O8 -","4","1","","Song, Dengpeng; Wang, Zhengshen; Mei, Ruoming; Zhang, Weiwei; Ma, Donghui; Xu, Dengyu; Xie, Xingang; She, Xuegong","Short and Scalable Total Synthesis of Myrioneuron Alkaloids (±)-α,β-Myrifabral A and B.","Organic letters","2016","18","4","669","671","10.1021/acs.orglett.6b00005","","x-ray","1.54184","CuKα","","0.077","0.0576","","","0.1606","0.1779","","","","","","1.083","","","","has coordinates","177290","2020-10-21","18:00:00",""
"1542635","10.139","0.004","11.268","0.005","11.71","0.005","92.64","0.005","97.053","0.005","92.437","0.005","1324.7","1","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C31 H31 N3 O3 -","- C31 H31 N3 O3 -","- C62 H62 N6 O6 -","2","1","","Tian, Yaming; Tian, Lumin; Li, Chunju; Jia, Xueshun; Li, Jian","Temperature-Dependent Double Isocyanide Insertion Reaction To Construct a Polycyclic Skeleton.","Organic letters","2016","18","4","840","843","10.1021/acs.orglett.6b00131","","","0.71073","MoKα","","0.0708","0.0487","","","0.1265","0.1402","","","","","","1.205","","","","has coordinates","177291","2020-10-21","18:00:00",""
"1542636","11.499","0.005","25.987","0.01","18.929","0.006","90","","115.027","0.019","90","","5125","3","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C30 H29 N3 O3 -","- C30 H29 N3 O3 -","- C240 H232 N24 O24 -","8","2","","Tian, Yaming; Tian, Lumin; Li, Chunju; Jia, Xueshun; Li, Jian","Temperature-Dependent Double Isocyanide Insertion Reaction To Construct a Polycyclic Skeleton.","Organic letters","2016","18","4","840","843","10.1021/acs.orglett.6b00131","","","0.71073","MoKα","","0.1467","0.0744","","","0.1989","0.2465","","","","","","0.99","","","","has coordinates","177292","2020-10-21","18:00:00",""
"1542637","7.873","0.0019","11.346","0.003","15.84","0.004","80.449","0.003","77.035","0.002","74.443","0.003","1319.9","0.6","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C33 H26 Br N3 O -","- C33 H26 Br N3 O -","- C66 H52 Br2 N6 O2 -","2","1","","Tian, Yaming; Tian, Lumin; Li, Chunju; Jia, Xueshun; Li, Jian","Temperature-Dependent Double Isocyanide Insertion Reaction To Construct a Polycyclic Skeleton.","Organic letters","2016","18","4","840","843","10.1021/acs.orglett.6b00131","","","0.71073","MoKα","","0.0447","0.0327","","","0.0757","0.0811","","","","","","1.037","","","","has coordinates","177293","2020-10-21","18:00:00",""
"1542638","9.9587","0.0008","12.7222","0.001","9.7025","0.0008","90","","94.493","0.008","90","","1225.5","0.17","293","2","293.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H11 N O -","- C16 H11 N O -","- C64 H44 N4 O4 -","4","1","","Zhang, Lianpeng; Peng, Zhixing; Wen, Qiaodong; Li, Xihui; Lu, Ping; Wang, Yanguang","Copper-Catalyzed Preparation of 2-Aryl-3-cyanobenzofurans with Bright Blue Photoluminescence.","Organic letters","2016","18","4","728","731","10.1021/acs.orglett.5b03704","","","0.71073","MoKα","","0.0691","0.0428","","","0.1023","0.1195","","","","","","1.014","","","","has coordinates","177294","2020-10-21","18:00:00",""
"1542639","32.528","0.007","6.026","0.0012","9.305","0.0019","90","","90","","90","","1823.9","0.7","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C16 H28 F N O5 -","- C16 H28 F N O5 -","- C64 H112 F4 N4 O20 -","4","1","","Hu, Xiang-Guo; Lawer, Aggie; Peterson, Matthew B.; Iranmanesh, Hasti; Ball, Graham E.; Hunter, Luke","Diastereoselective Synthesis and Conformational Analysis of (2R)- and (2S)-Fluorostatines: An Approach Based on Organocatalytic Fluorination of a Chiral Aldehyde.","Organic letters","2016","18","4","662","665","10.1021/acs.orglett.5b03592","","","0.71073","Synchrotron","","0.0643","0.0598","","","0.1423","0.1444","","","","","","1.159","","","","has coordinates","177295","2020-10-21","18:00:00",""
"1542640","8.28533","0.00015","11.53237","0.00019","14.1641","0.0003","111.2","0.0017","94.4487","0.0016","93.4599","0.0014","1252.27","0.04","290.7","0.1","290.7","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C28 H22 N2 O5 S -","- C28 H22 N2 O5 S -","- C56 H44 N4 O10 S2 -","2","1","","Wang, Kai-Kai; Jin, Tian; Huang, Xin; Ouyang, Qin; Du, Wei; Chen, Ying-Chun","α-Regioselective Asymmetric [3 + 2] Annulations of Morita-Baylis-Hillman Carbonates with Cyclic 1-Azadienes and Mechanism Elucidation.","Organic letters","2016","18","4","872","875","10.1021/acs.orglett.6b00189","","x-ray","1.54184","CuKα","","0.0381","0.0368","","","0.1004","0.1015","","","","","","1.05","","","","has coordinates","177296","2020-10-21","18:00:00",""
"1542641","15.5173","0.0004","9.24556","0.00019","15.6647","0.0005","90","","90.404","0.002","90","","2247.3","0.1","293","","293","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C26 H21 N O4 S -","- C26 H21 N O4 S -","- C104 H84 N4 O16 S4 -","4","1","","Wang, Kai-Kai; Jin, Tian; Huang, Xin; Ouyang, Qin; Du, Wei; Chen, Ying-Chun","α-Regioselective Asymmetric [3 + 2] Annulations of Morita-Baylis-Hillman Carbonates with Cyclic 1-Azadienes and Mechanism Elucidation.","Organic letters","2016","18","4","872","875","10.1021/acs.orglett.6b00189","","x-ray","1.54184","CuKα","","0.0762","0.0696","","","0.2006","0.209","","","","","","1.04","","","","has coordinates","177297","2020-10-21","18:00:00",""
"1542642","8.797","0.0012","12.2522","0.0017","22.914","0.003","90","","90","","90","","2469.7","0.6","153","2","153","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C28 H24 N2 O5 S -","- C28 H24 N2 O5 S -","- C112 H96 N8 O20 S4 -","4","1","","Wang, Kai-Kai; Jin, Tian; Huang, Xin; Ouyang, Qin; Du, Wei; Chen, Ying-Chun","α-Regioselective Asymmetric [3 + 2] Annulations of Morita-Baylis-Hillman Carbonates with Cyclic 1-Azadienes and Mechanism Elucidation.","Organic letters","2016","18","4","872","875","10.1021/acs.orglett.6b00189","","","0.71073","MoKα","","0.0478","0.0433","","","0.0993","0.1027","","","","","","1","","","","has coordinates","198632","2020-10-21","18:00:00",""
"1542643","16.262","0.003","8.2789","0.0017","15.194","0.003","90","","90","","90","","2045.6","0.7","293","2","293","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C24 H21 B F2 N2 -","- C24 H21 B F2 N2 -","- C96 H84 B4 F8 N8 -","4","1","","Zhou, Xin; Wu, Qinghua; Yu, Yang; Yu, Changjiang; Hao, Erhong; Wei, Yun; Mu, Xiaolong; Jiao, Lijuan","Metal-Free Direct α-Selective Arylation of Boron Dipyrromethenes via Base-Mediated C-H Functionalization.","Organic letters","2016","18","4","736","739","10.1021/acs.orglett.5b03706","","","0.71073","MoKα","","0.099","0.049","","","0.1086","0.1349","","","","","","1.006","","","","has coordinates","177299","2020-10-21","18:00:00",""
"1542644","17.9538","0.0017","8.2467","0.0008","14.4494","0.0014","90","","90","","90","","2139.4","0.4","293","2","293","2","","","","","","","","6","P n a 21","P 2c -2n","33","1e","","","- C25 H23 B F2 N2 O -","- C25 H23 B F2 N2 O -","- C100 H92 B4 F8 N8 O4 -","4","1","","Zhou, Xin; Wu, Qinghua; Yu, Yang; Yu, Changjiang; Hao, Erhong; Wei, Yun; Mu, Xiaolong; Jiao, Lijuan","Metal-Free Direct α-Selective Arylation of Boron Dipyrromethenes via Base-Mediated C-H Functionalization.","Organic letters","2016","18","4","736","739","10.1021/acs.orglett.5b03706","","","0.71073","MoKα","","0.0372","0.0322","","","0.0848","0.0884","","","","","","1.038","","","","has coordinates","177299","2020-10-21","18:00:00",""
"1542645","13.143","0.0018","13.3965","0.0019","15.473","0.002","67.831","0.002","78.64","0.002","87.648","0.002","2471.8","0.6","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H25 B F2 N2 -","- C30 H25 B F2 N2 -","- C120 H100 B4 F8 N8 -","4","2","","Zhou, Xin; Wu, Qinghua; Yu, Yang; Yu, Changjiang; Hao, Erhong; Wei, Yun; Mu, Xiaolong; Jiao, Lijuan","Metal-Free Direct α-Selective Arylation of Boron Dipyrromethenes via Base-Mediated C-H Functionalization.","Organic letters","2016","18","4","736","739","10.1021/acs.orglett.5b03706","","","0.71073","MoKα","","0.1758","0.09","","","0.272","0.3361","","","","","","1.033","","","","has coordinates","177299","2020-10-21","18:00:00",""
"1542646","11.523","0.0005","16.7116","0.0006","17.0577","0.0008","90","","106.759","0.005","90","","3145.2","0.2","200","2","200","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C43 H28 N4 -","- C43 H28 N4 -","- C172 H112 N16 -","4","1","","Huang, Jau-Jiun; Hung, Yu-Hsiang; Ting, Pei-Ling; Tsai, Yu-Ning; Gao, Huan-Jie; Chiu, Tien-Lung; Lee, Jiun-Haw; Chen, Chi-Lin; Chou, Pi-Tai; Leung, Man-Kit","Orthogonally Substituted Benzimidazole-Carbazole Benzene As Universal Hosts for Phosphorescent Organic Light-Emitting Diodes.","Organic letters","2016","18","4","672","675","10.1021/acs.orglett.5b03631","","","1.54178","CuKα","","0.0709","0.0466","","","0.11","0.1296","","","","","","1.035","","","","has coordinates","177300","2020-10-21","18:00:00",""
"1542647","9.8285","0.0001","13.81","0.0002","17.3341","0.0002","90","","91.02","0.001","90","","2352.41","0.05","295","2","295","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C31 H23 N3 O0.5 -","- C31 H23 N3 O0.5 -","- C124 H92 N12 O2 -","4","1","","Huang, Jau-Jiun; Hung, Yu-Hsiang; Ting, Pei-Ling; Tsai, Yu-Ning; Gao, Huan-Jie; Chiu, Tien-Lung; Lee, Jiun-Haw; Chen, Chi-Lin; Chou, Pi-Tai; Leung, Man-Kit","Orthogonally Substituted Benzimidazole-Carbazole Benzene As Universal Hosts for Phosphorescent Organic Light-Emitting Diodes.","Organic letters","2016","18","4","672","675","10.1021/acs.orglett.5b03631","","","1.54178","CuKα","","0.0459","0.0406","","","0.1159","0.1227","","","","","","1.03","","","","has coordinates","177301","2020-10-21","18:00:00",""
"1542648","6.8291","0.0007","15.1012","0.0015","16.8892","0.0018","90","","100.705","0.003","90","","1711.4","0.3","145","2","145","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C16 H8 Ag Br F8 N2 -","- C16 H8 Ag Br F8 N2 -","- C64 H32 Ag4 Br4 F32 N8 -","4","1","","Kaplan, Peter T.; Vicic, David A.","Versatile Route to Arylated Fluoroalkyl Bromide Building Blocks.","Organic letters","2016","18","4","884","886","10.1021/acs.orglett.6b00032","","","0.71073","MoKα","","0.0734","0.0548","","","0.1262","0.1445","","","","","","1.115","","","","has coordinates","177302","2020-10-21","18:00:00",""
"1542649","6.598","0.0006","17.1674","0.0015","14.6901","0.0012","90","","95.676","0.003","90","","1655.8","0.2","145","2","145","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C16 H8 Br Cu F8 N2 -","- C16 H8 Br Cu F8 N2 -","- C64 H32 Br4 Cu4 F32 N8 -","4","1","","Kaplan, Peter T.; Vicic, David A.","Versatile Route to Arylated Fluoroalkyl Bromide Building Blocks.","Organic letters","2016","18","4","884","886","10.1021/acs.orglett.6b00032","","","0.71073","MoKα","","0.0891","0.0659","","","0.1273","0.1382","","","","","","1.238","","","","has coordinates","177302","2020-10-21","18:00:00",""
"1542650","6.1276","0.0006","8.3737","0.0008","12.5585","0.0011","108.992","0.002","90.118","0.002","90.223","0.002","609.3","0.1","145","2","145","2","","","","","","","","6","P -1","-P 1","2","","","","- C10 H4 Br F8 N O2 -","- C10 H4 Br F8 N O2 -","- C20 H8 Br2 F16 N2 O4 -","2","1","","Kaplan, Peter T.; Vicic, David A.","Versatile Route to Arylated Fluoroalkyl Bromide Building Blocks.","Organic letters","2016","18","4","884","886","10.1021/acs.orglett.6b00032","","","0.71073","MoKα","","0.0573","0.0382","","","0.0719","0.0781","","","","","","1.09","","","","has coordinates","177302","2020-10-21","18:00:00",""
"1542651","5.9092","0.0004","15.55","0.001","13.5414","0.0008","90","","91.044","0.002","90","","1244.09","0.14","144","2","144","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C11 H4 Br F8 N -","- C11 H4 Br F8 N -","- C44 H16 Br4 F32 N4 -","4","1","","Kaplan, Peter T.; Vicic, David A.","Versatile Route to Arylated Fluoroalkyl Bromide Building Blocks.","Organic letters","2016","18","4","884","886","10.1021/acs.orglett.6b00032","","","0.71073","MoKα","","0.0357","0.0256","","","0.0545","0.058","","","","","","1.055","","","","has coordinates","177302","2020-10-21","18:00:00",""
"1542652","6.0576","0.0003","8.4076","0.0005","15.1254","0.0008","73.883","0.001","89.304","0.001","89.536","0.001","739.99","0.07","145","2","145","2","","","","","","","","6","P -1","-P 1","2","","","","- C12 H4 Br F12 N O2 -","- C12 H4 Br F12 N O2 -","- C24 H8 Br2 F24 N2 O4 -","2","1","","Kaplan, Peter T.; Vicic, David A.","Versatile Route to Arylated Fluoroalkyl Bromide Building Blocks.","Organic letters","2016","18","4","884","886","10.1021/acs.orglett.6b00032","","","0.71073","MoKα","","0.0488","0.0392","","","0.0849","0.0885","","","","","","1.153","","","","has coordinates","177302","2020-10-21","18:00:00",""
"1542653","5.9088","0.0004","8.397","0.0005","15.6935","0.0009","105.477","0.001","90.42","0.002","91.565","0.002","750.05","0.08","145","2","145","2","","","","","","","","5","P -1","-P 1","2","","","","- C13 H4 Br F12 N -","- C13 H4 Br F12 N -","- C26 H8 Br2 F24 N2 -","2","1","","Kaplan, Peter T.; Vicic, David A.","Versatile Route to Arylated Fluoroalkyl Bromide Building Blocks.","Organic letters","2016","18","4","884","886","10.1021/acs.orglett.6b00032","","","0.71073","MoKα","","0.0556","0.042","","","0.0775","0.0812","","","","","","1.203","","","","has coordinates","177302","2020-10-21","18:00:00",""
"1542654","5.9263","0.0002","14.358","0.0004","17.7263","0.0006","90","","90","","90","","1508.33","0.08","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C17 H15 N O4 -","- C17 H15 N O4 -","- C68 H60 N4 O16 -","4","1","","Sekikawa, Tohru; Kitaguchi, Takayuki; Kitaura, Hayato; Minami, Tatsuya; Hatanaka, Yasuo","Anti-Selective Asymmetric Nitro-Michael Reaction of Furanones: Diastereocontrol by Catalyst.","Organic letters","2016","18","4","646","649","10.1021/acs.orglett.5b03539","","","1.54178","CuKα","","0.0549","0.0475","","","0.1135","0.1198","","","","","","1.155","","","","has coordinates","177303","2020-10-21","18:00:00",""
"1542655","9.715","0.003","10.003","0.003","13.038","0.003","105.483","0.005","98.771","0.002","111.44","0.004","1091.5","0.5","113","2","113","2","","","","","","","","4","P -1","-P 1","2","","","","- C24 H26 N4 O4 -","- C24 H26 N4 O4 -","- C48 H52 N8 O8 -","2","1","","Zhao, Hong-Wu; Li, Bo; Pang, Hai-Liang; Tian, Ting; Chen, Xiao-Qin; Song, Xiu-Qing; Meng, Wei; Yang, Zhao; Zhao, Yu-Di; Liu, Yue-Yang","Diastereoselective 1,3-Dipolar Cycloadditions of N,N'-Cyclic Azomethine Imines with Iminooxindoles for Access to Oxindole Spiro-N,N-bicyclic Heterocycles.","Organic letters","2016","18","4","848","851","10.1021/acs.orglett.6b00139","","","0.71073","MoKα","","0.0558","0.0435","","","0.1084","0.1123","","","","","","1.004","","","","has coordinates","177304","2020-10-21","18:00:00",""
"1542656","11.338","0.002","11.077","0.002","18.981","0.004","90","","106.186","0.002","90","","2289.4","0.8","120","2","120","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C20 H11 Cl6 O2 P S2 -","- C20 H11 Cl6 O2 P S2 -","- C80 H44 Cl24 O8 P4 S8 -","4","1","","Yamamura, Masaki; Hasegawa, Toru; Nabeshima, Tatsuya","Synthesis of Phosphorus-Centered and Chalcogen-Bridged Concave Molecules: Modulation of Bowl Geometries and Packing Structures by Changing Bridging Atoms.","Organic letters","2016","18","4","816","819","10.1021/acs.orglett.6b00105","","","0.71073","MoKα","","0.058","0.0413","","","0.0944","0.1041","","","","","","1.109","","","","has coordinates,has disorder","177305","2020-10-21","18:00:00",""
"1542657","8.3936","0.0003","15.6127","0.0006","10.697","0.0004","90","","100.496","0.001","90","","1378.35","0.09","120","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H9 O3 P S -","- C18 H9 O3 P S -","- C72 H36 O12 P4 S4 -","4","1","","Yamamura, Masaki; Hasegawa, Toru; Nabeshima, Tatsuya","Synthesis of Phosphorus-Centered and Chalcogen-Bridged Concave Molecules: Modulation of Bowl Geometries and Packing Structures by Changing Bridging Atoms.","Organic letters","2016","18","4","816","819","10.1021/acs.orglett.6b00105","","","0.71073","MoKα","","0.0572","0.0425","","","0.0987","0.1066","","","","","","1.028","","","","has coordinates","177307","2020-10-21","18:00:00",""
"1542658","3.9829","0.0003","10.6559","0.0007","17.2702","0.0011","86.043","0.004","89.121","0.004","81.767","0.004","723.68","0.09","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","","","- C18 H9 P S3 -","- C18 H9 P S3 -","- C36 H18 P2 S6 -","2","1","","Yamamura, Masaki; Hasegawa, Toru; Nabeshima, Tatsuya","Synthesis of Phosphorus-Centered and Chalcogen-Bridged Concave Molecules: Modulation of Bowl Geometries and Packing Structures by Changing Bridging Atoms.","Organic letters","2016","18","4","816","819","10.1021/acs.orglett.6b00105","","","0.71073","MoKα","","0.0329","0.0275","","","0.057","0.0593","","","","","","1.033","","","","has coordinates","177308","2020-10-21","18:00:00",""
"1542659","16.762","0.002","22.071","0.003","7.4782","0.001","90","","90","","90","","2766.6","0.6","120","2","120","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C18 H9 O2 P S -","- C18 H9 O2 P S -","- C144 H72 O16 P8 S8 -","8","1","","Yamamura, Masaki; Hasegawa, Toru; Nabeshima, Tatsuya","Synthesis of Phosphorus-Centered and Chalcogen-Bridged Concave Molecules: Modulation of Bowl Geometries and Packing Structures by Changing Bridging Atoms.","Organic letters","2016","18","4","816","819","10.1021/acs.orglett.6b00105","","","0.71073","MoKα","","0.0342","0.0313","","","0.0681","0.0695","","","","","","1.01","","","","has coordinates","177309","2020-10-21","18:00:00",""
"1542660","11.099","0.003","11.479","0.003","14.854","0.003","90","","95.89","0.002","90","","1882.5","0.8","120","2","120","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C21 H16 F2 N O4 P S -","- C21 H16 F2 N O4 P S -","- C84 H64 F8 N4 O16 P4 S4 -","4","1","","Yamamura, Masaki; Hasegawa, Toru; Nabeshima, Tatsuya","Synthesis of Phosphorus-Centered and Chalcogen-Bridged Concave Molecules: Modulation of Bowl Geometries and Packing Structures by Changing Bridging Atoms.","Organic letters","2016","18","4","816","819","10.1021/acs.orglett.6b00105","","","0.71073","MoKα","","0.0687","0.0424","","","0.0975","0.1101","","","","","","1.027","","","","has coordinates","177310","2020-10-21","18:00:00",""
"1542661","9.166","0.007","10.699","0.008","15.212","0.012","90","","101.527","0.009","90","","1461.7","1.9","120","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H9 O P S3 -","- C18 H9 O P S3 -","- C72 H36 O4 P4 S12 -","4","1","","Yamamura, Masaki; Hasegawa, Toru; Nabeshima, Tatsuya","Synthesis of Phosphorus-Centered and Chalcogen-Bridged Concave Molecules: Modulation of Bowl Geometries and Packing Structures by Changing Bridging Atoms.","Organic letters","2016","18","4","816","819","10.1021/acs.orglett.6b00105","","","0.71073","MoKα","","0.0384","0.0347","","","0.1257","0.1316","","","","","","1.034","","","","has coordinates","177311","2020-10-21","18:00:00",""
"1542662","8.0119","0.0012","20.775","0.003","34.265","0.005","90","","90","","90","","5703.3","1.4","120","2","120","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C18 H9 O P S2 -","- C18 H9 O P S2 -","- C288 H144 O16 P16 S32 -","16","2","","Yamamura, Masaki; Hasegawa, Toru; Nabeshima, Tatsuya","Synthesis of Phosphorus-Centered and Chalcogen-Bridged Concave Molecules: Modulation of Bowl Geometries and Packing Structures by Changing Bridging Atoms.","Organic letters","2016","18","4","816","819","10.1021/acs.orglett.6b00105","","","0.71073","MoKα","","0.0469","0.0349","","","0.0727","0.0778","","","","","","1.058","","","","has coordinates","177312","2020-10-21","18:00:00",""
"1542663","8.675","0.008","19.74","0.018","15.454","0.012","90","","106.49","0.04","90","","2538","4","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C30 H28 N O3 P -","- C30 H28 N O3 P -","- C120 H112 N4 O12 P4 -","4","1","","Jiang, Jin; Liu, Hui; Lu, Chong-Dao; Xu, Yan-Jun","Diethyl Phosphite Initiated Coupling of α-Ketoesters with Imines for Synthesis of α-Phosphonyloxy-β-amino Acid Derivatives and Aziridine-2-carboxylates.","Organic letters","2016","18","4","880","883","10.1021/acs.orglett.6b00273","","","0.71073","MoKα","","0.1603","0.073","","","0.1594","0.2124","","","","","","1","","","","has coordinates,has disorder","177313","2020-10-21","18:00:00",""
"1542664","16.58","0.006","10.731","0.004","17.82","0.007","90","","104.369","0.005","90","","3071","2","296","2","296.15","","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C29 H36 N O9 P S -","- C29 H36 N O9 P S -","- C116 H144 N4 O36 P4 S4 -","4","1","","Jiang, Jin; Liu, Hui; Lu, Chong-Dao; Xu, Yan-Jun","Diethyl Phosphite Initiated Coupling of α-Ketoesters with Imines for Synthesis of α-Phosphonyloxy-β-amino Acid Derivatives and Aziridine-2-carboxylates.","Organic letters","2016","18","4","880","883","10.1021/acs.orglett.6b00273","","","0.71073","MoKα","","0.0989","0.0513","","","0.119","0.1441","","","","","","1.03","","","","has coordinates","177314","2020-10-21","18:00:00",""
"1542665","11.0944","0.0019","14.838","0.002","13.848","0.002","90","","105.603","0.004","90","","2195.6","0.6","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H26 Cl3 N2 Rh -","- C19 H26 Cl3 N2 Rh -","- C76 H104 Cl12 N8 Rh4 -","4","1","","Qi, Zisong; Yu, Songjie; Li, Xingwei","Rh(III)-Catalyzed Synthesis of N-Unprotected Indoles from Imidamides and Diazo Ketoesters via C-H Activation and C-C/C-N Bond Cleavage.","Organic letters","2016","18","4","700","703","10.1021/acs.orglett.5b03669","","","0.71073","MoKα","","0.0844","0.0674","","","0.143","0.1497","","","","","","1.218","","","","has coordinates","177315","2020-10-21","18:00:00",""
"1542666","4.4677","0.0002","16.8234","0.0008","20.1968","0.0011","90","","92.566","0.005","90","","1516.51","0.13","294.06","0.1","294.06","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C17 H13 Br N2 O2 -","- C17 H13 Br N2 O2 -","- C68 H52 Br4 N8 O8 -","4","1","","Ma, Haichao; Li, Dianjun; Yu, Wei","Synthesis of Quinoxaline Derivatives via Tandem Oxidative Azidation/Cyclization Reaction of N-Arylenamines.","Organic letters","2016","18","4","868","871","10.1021/acs.orglett.6b00148","","x-ray","0.71073","MoKα","","0.068","0.0432","","","0.0741","0.0838","","","","","","1.045","","","","has coordinates","177316","2020-10-21","18:00:00",""
"1542667","7.8754","0.0001","9.4243","0.0001","32.1424","0.0004","90","","90","","90","","2385.61","0.05","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C26 H34 O8 -","- C26 H34 O8 -","- C104 H136 O32 -","4","1","","Wan, Luo-Sheng; Shao, Li-Dong; Fu, Liangbing; Xu, Jun; Zhu, Guo-Lei; Peng, Xing-Rong; Li, Xiao-Nian; Li, Yan; Qiu, Ming-Hua","One-Step Semisynthesis of a Segetane Diterpenoid from a Jatrophane Precursor via a Diels-Alder Reaction.","Organic letters","2016","18","3","496","499","10.1021/acs.orglett.5b03473","","","1.54178","CuKα","","0.0311","0.031","","","0.0814","0.0815","","","","","","1.07","","","","has coordinates","177317","2020-10-21","18:00:00",""
"1542668","8.317","0.0015","16.04","0.003","23.373","0.005","108.62","0.006","98.945","0.007","90.295","0.005","2913.9","1","93","2","93","2","","","","","","","","3","P -1","-P 1","2","","","","- C42 H32 S -","- C42 H32 S -","- C168 H128 S4 -","4","2","","Bhanuchandra, M.; Yorimitsu, Hideki; Osuka, Atsuhiro","Synthesis of Spirocyclic Diarylfluorenes by One-Pot Twofold SNAr Reactions of Diaryl Sulfones with Diarylmethanes.","Organic letters","2016","18","3","384","387","10.1021/acs.orglett.5b03384","","","1.54187","CuKα","","0.0612","0.0541","","","0.1467","0.1513","","","","","","1.029","","","","has coordinates","214153","2020-10-21","18:00:00",""
"1542669","7.4947","0.0008","10.4244","0.0011","12.3741","0.0015","83","0.012","82.694","0.011","81.603","0.007","943.36","0.19","93","2","93","2","","","","","","","","4","P -1","-P 1","2","","","","- C26 H15 F3 S -","- C26 H15 F3 S -","- C52 H30 F6 S2 -","2","1","","Bhanuchandra, M.; Yorimitsu, Hideki; Osuka, Atsuhiro","Synthesis of Spirocyclic Diarylfluorenes by One-Pot Twofold SNAr Reactions of Diaryl Sulfones with Diarylmethanes.","Organic letters","2016","18","3","384","387","10.1021/acs.orglett.5b03384","","","1.54187","CuKα","","0.035","0.0331","","","0.0909","0.0922","","","","","","1.075","","","","has coordinates","177319","2020-10-21","18:00:00",""
"1542670","16.9083","0.0003","5.97938","0.00011","23.1232","0.0004","90","","103.885","0.001","90","","2269.47","0.07","193","2","193","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C24 H32 N2 O3 S -","- C24 H32 N2 O3 S -","- C96 H128 N8 O12 S4 -","4","2","","Yoshizaki, Soichi; Nakamura, Yu; Masutomi, Koji; Yoshida, Tomoka; Noguchi, Keiichi; Shibata, Yu; Tanaka, Ken","Rhodium-Catalyzed Asymmetric [2 + 2 + 2] Cycloaddition of 1,6-Enynes with Cyclopropylideneacetamides.","Organic letters","2016","18","3","388","391","10.1021/acs.orglett.5b03387","","","1.54187","CuKα","","0.0712","0.0463","","","0.1158","0.1451","","","","","","1.124","","","","has coordinates","177320","2020-10-21","18:00:00",""
"1542671","13.7519","0.0002","14.9993","0.0002","22.6562","0.0003","90","","90","","90","","4673.27","0.11","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C28 H20 N2 O6 S -","- C28 H20 N2 O6 S -","- C224 H160 N16 O48 S8 -","8","1","","Kumar, N. N. Bhuvan; Kutateladze, Andrei G.","Photoassisted Diversity-Oriented Synthesis: Intramolecular Cycloadditions of Photogenerated Azaxylylenes with Oxazole Pendants, and Subsequent Postphotochemical Multicomponent Modifications.","Organic letters","2016","18","3","460","463","10.1021/acs.orglett.5b03503","","","0.71073","MoKα","","0.0575","0.0374","","","0.108","0.1326","","","","","","0.784","","","","has coordinates","177321","2020-10-21","18:00:00",""
"1542672","9.1645","0.0001","8.7385","0.0001","18.3694","0.0003","90","","104.426","0.001","90","","1424.71","0.03","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C17 H14 N2 O4 -","- C17 H14 N2 O4 -","- C68 H56 N8 O16 -","4","1","","Kumar, N. N. Bhuvan; Kutateladze, Andrei G.","Photoassisted Diversity-Oriented Synthesis: Intramolecular Cycloadditions of Photogenerated Azaxylylenes with Oxazole Pendants, and Subsequent Postphotochemical Multicomponent Modifications.","Organic letters","2016","18","3","460","463","10.1021/acs.orglett.5b03503","","","0.71073","MoKα","","0.039","0.0373","","","0.1023","0.1061","","","","","","0.602","","","","has coordinates","177322","2020-10-21","18:00:00",""
"1542673","17.6228","0.0003","12.8352","0.0003","14.1014","0.0002","90","","91.786","0.001","90","","3188.08","0.1","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C19 H13 Cl N2 O3 -","- C19 H13 Cl N2 O3 -","- C152 H104 Cl8 N16 O24 -","8","1","","Kumar, N. N. Bhuvan; Kutateladze, Andrei G.","Photoassisted Diversity-Oriented Synthesis: Intramolecular Cycloadditions of Photogenerated Azaxylylenes with Oxazole Pendants, and Subsequent Postphotochemical Multicomponent Modifications.","Organic letters","2016","18","3","460","463","10.1021/acs.orglett.5b03503","","","0.71073","MoKα","","0.0371","0.0323","","","0.0879","0.0991","","","","","","1.011","","","","has coordinates","177323","2020-10-21","18:00:00",""
"1542674","12.2329","0.0004","17.7221","0.0006","19.3408","0.0006","69.034","0.002","72.015","0.002","72.867","0.002","3643.1","0.2","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C36 H50 S4 Si2 -","- C36 H50 S4 Si2 -","- C144 H200 S16 Si8 -","4","2","","Chang, Shao-Ling; Lu, Chih-Wen; Lai, Yu-Ying; Hsu, Jhih-Yang; Cheng, Yen-Ju","Synthesis and Molecular Properties of Two Isomeric Dialkylated Tetrathienonaphthalenes.","Organic letters","2016","18","3","368","371","10.1021/acs.orglett.5b03294","","","0.71073","MoKα","","0.0728","0.0511","","","0.14","0.1759","","","","","","1.127","","","","has coordinates,has disorder","177324","2020-10-21","18:00:00",""
"1542675","11.715","0.003","12.209","0.003","15.564","0.004","76.856","0.006","75.796","0.006","79.474","0.006","2082.4","0.9","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C34 H44 S4 Si2 -","- C36 H48 S4 Si2 -","- C72 H96 S8 Si4 -","2","1","","Chang, Shao-Ling; Lu, Chih-Wen; Lai, Yu-Ying; Hsu, Jhih-Yang; Cheng, Yen-Ju","Synthesis and Molecular Properties of Two Isomeric Dialkylated Tetrathienonaphthalenes.","Organic letters","2016","18","3","368","371","10.1021/acs.orglett.5b03294","","","0.71073","MoKα","","0.092","0.0557","","","0.1801","0.196","","","","","","1.051","","","","has coordinates,has disorder","177325","2020-10-21","18:00:00",""
"1542676","9.9595","0.0013","12.5319","0.0019","14.6208","0.0019","90","","97.484","0.007","90","","1809.3","0.4","296","2","296","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C24 H18 O3 -","- C24 H18 O3 -","- C96 H72 O12 -","4","1","","More, Atul A.; Ramana, Chepuri V.","o-Quinone Methides via Oxone-Mediated Benzofuran Oxidative Dearomatization and Their Intramolecular Cycloaddition with Carbonyl Groups: An Expeditious Construction of the Central Tetracyclic Core of Integrastatins, Epicoccolide A, and Epicocconigrone A.","Organic letters","2016","18","3","612","615","10.1021/acs.orglett.5b03707","","","0.71073","MoKα","","0.0868","0.054","","","0.1043","0.1189","","","","","","1.047","","","","has coordinates","177326","2020-10-21","18:00:00",""
"1542677","7.6359","0.0014","8.6199","0.0016","10.087","0.002","80.935","0.012","79.666","0.013","69.242","0.012","607.6","0.2","296","2","296","2","","","","","","","","3","P -1","-P 1","2","","","","- C16 H12 O3 -","- C16 H12 O3 -","- C32 H24 O6 -","2","1","","More, Atul A.; Ramana, Chepuri V.","o-Quinone Methides via Oxone-Mediated Benzofuran Oxidative Dearomatization and Their Intramolecular Cycloaddition with Carbonyl Groups: An Expeditious Construction of the Central Tetracyclic Core of Integrastatins, Epicoccolide A, and Epicocconigrone A.","Organic letters","2016","18","3","612","615","10.1021/acs.orglett.5b03707","","","0.71073","MoKα","","0.062","0.0553","","","0.1558","0.164","","","","","","1.036","","","","has coordinates","177327","2020-10-21","18:00:00",""
"1542678","9.4895","0.0018","8.7747","0.0017","19.062","0.004","90","","101.174","0.01","90","","1557.2","0.5","296","2","296","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C19 H18 O4 -","- C19 H18 O4 -","- C76 H72 O16 -","4","1","","More, Atul A.; Ramana, Chepuri V.","o-Quinone Methides via Oxone-Mediated Benzofuran Oxidative Dearomatization and Their Intramolecular Cycloaddition with Carbonyl Groups: An Expeditious Construction of the Central Tetracyclic Core of Integrastatins, Epicoccolide A, and Epicocconigrone A.","Organic letters","2016","18","3","612","615","10.1021/acs.orglett.5b03707","","","0.71073","MoKα","","0.0431","0.0375","","","0.0993","0.1042","","","","","","1.037","","","","has coordinates","177328","2020-10-21","18:00:00",""
"1542679","9.3485","0.0005","13.5764","0.0007","10.5947","0.0005","90","","101.444","0.003","90","","1317.94","0.12","200","2","200","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C17 H14 O3 -","- C17 H14 O3 -","- C68 H56 O12 -","4","1","","More, Atul A.; Ramana, Chepuri V.","o-Quinone Methides via Oxone-Mediated Benzofuran Oxidative Dearomatization and Their Intramolecular Cycloaddition with Carbonyl Groups: An Expeditious Construction of the Central Tetracyclic Core of Integrastatins, Epicoccolide A, and Epicocconigrone A.","Organic letters","2016","18","3","612","615","10.1021/acs.orglett.5b03707","","","0.71073","MoKα","","0.035","0.0334","","","0.0824","0.0839","","","","","","1.077","","","","has coordinates","177329","2020-10-21","18:00:00",""
"1542680","10.0417","0.0011","18.527","0.002","26.755","0.003","90","","90","","90","","4977.6","0.9","296","2","296","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C16 H12 O3 -","- C16 H12 O3 -","- C256 H192 O48 -","16","2","","More, Atul A.; Ramana, Chepuri V.","o-Quinone Methides via Oxone-Mediated Benzofuran Oxidative Dearomatization and Their Intramolecular Cycloaddition with Carbonyl Groups: An Expeditious Construction of the Central Tetracyclic Core of Integrastatins, Epicoccolide A, and Epicocconigrone A.","Organic letters","2016","18","3","612","615","10.1021/acs.orglett.5b03707","","","0.71073","MoKα","","0.1117","0.0973","","","0.1673","0.1734","","","","","","1.312","","","","has coordinates","182022","2020-10-21","18:00:00",""
"1542681","9.3342","0.0006","10.9832","0.0008","19.0771","0.0013","103.527","0.004","91.081","0.004","99.292","0.004","1873.3","0.2","296","2","296","2","","","","","","","","3","P -1","-P 1","2","","","","- C22 H22 O5 -","- C22 H22 O5 -","- C88 H88 O20 -","4","2","","More, Atul A.; Ramana, Chepuri V.","o-Quinone Methides via Oxone-Mediated Benzofuran Oxidative Dearomatization and Their Intramolecular Cycloaddition with Carbonyl Groups: An Expeditious Construction of the Central Tetracyclic Core of Integrastatins, Epicoccolide A, and Epicocconigrone A.","Organic letters","2016","18","3","612","615","10.1021/acs.orglett.5b03707","","","0.71073","MoKα","","0.0655","0.0529","","","0.1293","0.1382","","","","","","1.033","","","","has coordinates","177331","2020-10-21","18:00:00",""
"1542682","10.761","0.004","5.854","0.002","19.673","0.007","90","","102.693","0.006","90","","1209","0.7","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C12 H11 Cl F3 N O -","- C12 H11 Cl F3 N O -","- C48 H44 Cl4 F12 N4 O4 -","4","1","","Fu, Mingyang; Chen, Long; Jiang, Yongpeng; Jiang, Zhong-Xing; Yang, Zhigang","Copper-Catalyzed Intermolecular Chloro- and Bromotrifluoromethylation of Alkenes.","Organic letters","2016","18","3","348","351","10.1021/acs.orglett.5b03080","","","0.71073","MoKα","","0.136","0.1271","","","0.3472","0.3509","","","","","","1.1","","","","has coordinates","177332","2020-10-21","18:00:00",""
"1542683","27.2716","0.0008","10.7113","0.0003","11.2422","0.0003","90","","90.5644","0.0009","90","","3283.85","0.16","100","2","100","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C36 H36 Br N2 O4.5 S -","- C36 H36 Br N2 O4.5 S -","- C144 H144 Br4 N8 O18 S4 -","4","1","","Wang, Shoulei; Rodriguez-Escrich, Carles; Pericàs, Miquel A","H-Bond-Directing Organocatalyst for Enantioselective [4 + 2] Cycloadditions via Dienamine Catalysis.","Organic letters","2016","18","3","556","559","10.1021/acs.orglett.5b03575","","","0.71073","MoKα","","0.0443","0.0343","","","0.0693","0.0724","","","","","","1.054","","","","has coordinates,has disorder","177333","2020-10-21","18:00:00",""
"1542684","3.9105","0.0006","10.8964","0.0017","12.403","0.002","97.328","0.003","94.957","0.003","92.265","0.003","521.54","0.14","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C13 H10 N2 S -","- C13 H10 N2 S -","- C26 H20 N4 S2 -","2","1","","Sharma, Shivani; Pathare, Ramdas S.; Maurya, Antim K.; Gopal, Kandasamy; Roy, Tapta Kanchan; Sawant, Devesh M.; Pardasani, Ram T.","Ruthenium Catalyzed Intramolecular C-S Coupling Reactions: Synthetic Scope and Mechanistic Insight.","Organic letters","2016","18","3","356","359","10.1021/acs.orglett.5b03185","","","0.71073","MoKα","","0.0369","0.0311","","","0.0732","0.0762","","","","","","1.067","","","","has coordinates","177334","2020-10-21","18:00:00",""
"1542685","13.1514","0.0009","12.8014","0.0009","7.2224","0.0006","90","","105.094","0.002","90","","1173.99","0.15","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H12 N2 O S -","- C14 H12 N2 O S -","- C56 H48 N8 O4 S4 -","4","1","","Sharma, Shivani; Pathare, Ramdas S.; Maurya, Antim K.; Gopal, Kandasamy; Roy, Tapta Kanchan; Sawant, Devesh M.; Pardasani, Ram T.","Ruthenium Catalyzed Intramolecular C-S Coupling Reactions: Synthetic Scope and Mechanistic Insight.","Organic letters","2016","18","3","356","359","10.1021/acs.orglett.5b03185","","","0.71073","MoKα","","0.035","0.0299","","","0.076","0.0792","","","","","","1.063","","","","has coordinates","177334","2020-10-21","18:00:00",""
"1542686","9.921","0.0009","17.9238","0.0015","12.9555","0.0011","90","","90.022","","90","","2303.8","0.3","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H22 Cl2 N2 O4 -","- C26 H22 Cl2 N2 O4 -","- C104 H88 Cl8 N8 O16 -","4","1","","Zhou, Yunfei; Zhu, Jianming; Li, Bo; Zhang, Yong; Feng, Jia; Hall, Adrian; Shi, Jiye; Zhu, Weiliang","Access to Different Isomeric Dibenzoxazepinones through Copper-Catalyzed C-H Etherification and C-N Bond Construction with Controllable Smiles Rearrangement.","Organic letters","2016","18","3","380","383","10.1021/acs.orglett.5b03378","","","0.71073","MoKα","","0.0447","0.0338","","","0.0895","0.1003","","","","","","1.101","","","","has coordinates","177335","2020-10-21","18:00:00",""
"1542687","14.8316","0.0003","16.4395","0.0003","7.8011","0.0002","90","","93.277","0.001","90","","1898.99","0.07","170","","170","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H17 Cl N2 O3 -","- C24 H17 Cl N2 O3 -","- C96 H68 Cl4 N8 O12 -","4","1","","Zhou, Yunfei; Zhu, Jianming; Li, Bo; Zhang, Yong; Feng, Jia; Hall, Adrian; Shi, Jiye; Zhu, Weiliang","Access to Different Isomeric Dibenzoxazepinones through Copper-Catalyzed C-H Etherification and C-N Bond Construction with Controllable Smiles Rearrangement.","Organic letters","2016","18","3","380","383","10.1021/acs.orglett.5b03378","","","0.71073","MoKα","","0.0503","0.0371","","","0.0914","0.0984","","","","","","1.029","","","","has coordinates","177336","2020-10-21","18:00:00",""
"1542688","21.0972","0.0018","15.0686","0.0013","14.2085","0.0012","90","","128.249","0.002","90","","3547.3","0.5","90","2","90","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","Octa-bromo Perylenecarboxylicdianhydride","","","- C32 H16 Br8 O8 -","- C32 H16 Br8 O8 -","- C128 H64 Br32 O32 -","4","0.5","","Kumar, Yogendra; Kumar, Sharvan; Kumar Keshri, Sudhir; Shukla, Jyoti; Singh, Shiv Shankar; Thakur, Tejender S.; Denti, Mitchell; Facchetti, Antonio; Mukhopadhyay, Pritam","Synthesis of Octabromoperylene Dianhydride and Diimides: Evidence of Halogen Bonding and Semiconducting Properties.","Organic letters","2016","18","3","472","475","10.1021/acs.orglett.5b03513","","","0.71073","MoKα","","0.0653","0.0389","","","0.121","0.135","","","","","","0.893","","","","has coordinates","177337","2020-10-21","18:00:00",""
"1542689","10.487","0.0012","13.0919","0.0016","16.145","0.002","90","","90","","90","","2216.6","0.5","150","2","150","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C11 H10 N4 O3 -","- C11 H10 N4 O3 -","- C88 H80 N32 O24 -","8","1","","Pawar, Govind Goroba; Brahmanandan, Abhilashamole; Kapur, Manmohan","Palladium(II)-Catalyzed, Heteroatom-Directed, Regioselective C-H Nitration of Anilines Using Pyrimidine as a Removable Directing Group.","Organic letters","2016","18","3","448","451","10.1021/acs.orglett.5b03493","","","0.71073","MoKα","","0.1808","0.0642","","","0.1441","0.1926","","","","","","0.978","","","","has coordinates","177338","2020-10-21","18:00:00",""
"1542690","10.839","0.005","23.282","0.01","24.36","0.011","90","","90","","90","","6147","5","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C34 H35 Br N2 O -","- C34 H35 Br N2 O -","- C272 H280 Br8 N16 O8 -","8","2","","Li, Xuanyi; Xu, Xiuyan; Wei, Weiwei; Lin, Aijun; Yao, Hequan","Organocatalyzed Asymmetric 1,6-Conjugate Addition of para-Quinone Methides with Dicyanoolefins.","Organic letters","2016","18","3","428","431","10.1021/acs.orglett.5b03471","","","0.71073","MoKα","","0.162","0.0547","","","0.105","0.1408","","","","","","0.958","","","","has coordinates","177339","2020-10-21","18:00:00",""
"1542691","5.8834","0.0013","11.064","0.002","11.101","0.002","90","","102.611","0.006","90","","705.2","0.2","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C14 H17 F N2 O2 S -","- C14 H17 F N2 O2 S -","- C28 H34 F2 N4 O4 S2 -","2","1","","Hajra, Saumen; Aziz, Sk Mohammad; Jana, Bibekananda; Mahish, Prosenjit; Das, Dhiraj","Synthesis of Chiral Spiro-Aziridine Oxindoles via Aza-Corey-Chaykovsky Reaction of Isatin Derived N-tert-Butanesulfinyl Ketimines.","Organic letters","2016","18","3","532","535","10.1021/acs.orglett.5b03564","","","0.71073","MoKα","","0.0459","0.0379","","","0.0893","0.0967","","","","","","1.092","","","","has coordinates","177340","2020-10-21","18:00:00",""
"1542692","10.3073","0.0005","11.8581","0.0005","21.8138","0.0008","90","","94.816","0.004","90","","2656.8","0.2","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C32 H31 N O5 -","- C32 H31 N O5 -","- C128 H124 N4 O20 -","4","1","","Gao, Fei; Yang, Chao; Ma, Na; Gao, Guo-Lin; Li, Dazhi; Xia, Wujiong","Visible-Light-Mediated 1,7-Enyne Bicyclizations for Synthesis of Cyclopenta[c]quinolines and Benzo[j]phenanthridines.","Organic letters","2016","18","3","600","603","10.1021/acs.orglett.5b03662","","x-ray","0.71073","MoKα","","0.0778","0.0605","","","0.1494","0.1627","","","","","","1.02","","","","has coordinates","177341","2020-10-21","18:00:00",""
"1542693","18.3718","0.0011","5.6809","0.0003","40.089","0.003","90","","100.975","0.006","90","","4107.5","0.5","293","2","293","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C26 H20 F3 N O -","- C26 H20 F3 N O -","- C208 H160 F24 N8 O8 -","8","1","","Gao, Fei; Yang, Chao; Ma, Na; Gao, Guo-Lin; Li, Dazhi; Xia, Wujiong","Visible-Light-Mediated 1,7-Enyne Bicyclizations for Synthesis of Cyclopenta[c]quinolines and Benzo[j]phenanthridines.","Organic letters","2016","18","3","600","603","10.1021/acs.orglett.5b03662","","x-ray","0.71073","MoKα","","0.0892","0.0589","","","0.132","0.1504","","","","","","1.048","","","","has coordinates","177342","2020-10-21","18:00:00",""
"1542694","10.2357","0.0007","10.5168","0.0006","12.7893","0.0006","71.454","0.005","71.195","0.006","73.002","0.006","1207.61","0.13","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C29 H25 F2 N O3 -","- C29 H25 F2 N O3 -","- C58 H50 F4 N2 O6 -","2","1","","Gao, Fei; Yang, Chao; Ma, Na; Gao, Guo-Lin; Li, Dazhi; Xia, Wujiong","Visible-Light-Mediated 1,7-Enyne Bicyclizations for Synthesis of Cyclopenta[c]quinolines and Benzo[j]phenanthridines.","Organic letters","2016","18","3","600","603","10.1021/acs.orglett.5b03662","","x-ray","0.71073","MoKα","","0.0789","0.0566","","","0.1365","0.1541","","","","","","1.028","","","","has coordinates","177343","2020-10-21","18:00:00",""
"1542695","7.8269","0.0015","8.7254","0.0017","23.407","0.005","90","","90","","90","","1598.5","0.6","273","2","273","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C18 H24 O3 -","- C18 H24 O3 -","- C72 H96 O12 -","4","1","","Liu, Chenguang; Zeng, Zhixiong; Chen, Renzhi; Jiang, Xunjin; Wang, Yinglu; Zhang, Yandong","Total Synthesis of (+)-Fusarisetin A Driven by a One-Pot Four-Reaction Process.","Organic letters","2016","18","3","624","627","10.1021/acs.orglett.6b00036","","","0.71073","MoKα","","0.0731","0.0617","","","0.1399","0.1466","","","","","","1.085","","","","has coordinates","177344","2020-10-21","18:00:00",""
"1542696","7.9582","0.0015","8.0654","0.0015","13.665","0.003","82.257","0.003","84.908","0.003","72.622","0.003","828.3","0.3","273","2","273","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H12 Br2 O2 S -","- C18 H12 Br2 O2 S -","- C36 H24 Br4 O4 S2 -","2","1","","Wang, Miao; Xiang, Jia-Chen; Cheng, Yan; Wu, Yan-Dong; Wu, An-Xin","Synthesis of 2,4,5-Trisubstituted Furans via a Triple C(sp(3))-H Functionalization Reaction Using Rongalite as the C1 Unit.","Organic letters","2016","18","3","524","527","10.1021/acs.orglett.5b03552","","","0.71073","MoKα","","0.0671","0.0542","","","0.1705","0.1835","","","","","","1.013","","","","has coordinates","177345","2020-10-21","18:00:00",""
"1542697","7.573","0.009","8.012","0.01","15.475","0.019","77.359","0.016","78.217","0.017","86.315","0.018","896.7","1.9","273","2","273","2","","","","","","","","4","P -1","-P 1","2","","","","- C19 H16 O4 S2 -","- C19 H16 O4 S2 -","- C38 H32 O8 S4 -","2","1","","Wang, Miao; Xiang, Jia-Chen; Cheng, Yan; Wu, Yan-Dong; Wu, An-Xin","Synthesis of 2,4,5-Trisubstituted Furans via a Triple C(sp(3))-H Functionalization Reaction Using Rongalite as the C1 Unit.","Organic letters","2016","18","3","524","527","10.1021/acs.orglett.5b03552","","","0.71073","MoKα","","0.1033","0.0593","","","0.163","0.1816","","","","","","0.962","","","","has coordinates","177346","2020-10-21","18:00:00",""
"1542698","9.645","0.0004","11.531","0.0005","23.18","0.0009","92.059","0.002","90.249","0.002","95.534","0.002","2564.25","0.18","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C23.5 H14.5 Cl4.5 N3 O8 -","- C23.5 H14.5 Cl4.5 N3 O8 -","- C94 H58 Cl18 N12 O32 -","4","2","","Yoon, Ina; Suh, Sung-Eun; Barros, Stephanie A.; Chenoweth, David M.","Synthesis of 9-Substituted Triptycene Building Blocks for Solid-Phase Diversification and Nucleic Acid Junction Targeting.","Organic letters","2016","18","5","1096","","10.1021/acs.orglett.6b00169","","","0.71073","MoKα","","0.0644","0.0553","","","0.1464","0.1568","","","","","","1.036","","","","has coordinates","214153","2020-10-21","18:00:00",""
"1542699","5.5492","0.0005","10.9097","0.0011","11.6094","0.0012","102.644","0.003","93.799","0.003","96.078","0.003","679.03","0.12","103","2","103","2","","","","","","","","5","P -1","-P 1","2","","","","- C17 H16 F N O -","- C17 H16 F N O -","- C34 H32 F2 N2 O2 -","2","1","","Wang, Yi-Feng; Hu, Ming; Hayashi, Hirohito; Xing, Bengang; Chiba, Shunsuke","Linking of Alcohols with Vinyl Azides.","Organic letters","2016","18","5","992","","10.1021/acs.orglett.6b00116","","","0.71073","","","0.0756","0.0518","","","0.1228","0.138","","","","","","1.045","","","","has coordinates","177348","2020-10-21","18:00:00",""
"1542700","7.6378","0.0005","15.9147","0.0011","18.2712","0.0013","90","","90","","90","","2220.9","0.3","296","2","296","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C22 H17 Cl2 F3 N2 O3 -","- C22 H17 Cl2 F3 N2 O3 -","- C88 H68 Cl8 F12 N8 O12 -","4","1","","Li, Xiaoyuan; Su, Jinhuan; Liu, Zhourujun; Zhu, Yuanyuan; Dong, Zhenghao; Qiu, Shuai; Wang, Jiayi; Lin, Li; Shen, Zhiqiang; Yan, Wenjin; Wang, Kairong; Wang, Rui","Synthesis of Chiral α-Trifluoromethylamines with 2,2,2-Trifluoroethylamine as a ""Building Block"".","Organic letters","2016","18","5","956","","10.1021/acs.orglett.5b03566","","","0.71073","MoKα","","0.0436","0.0369","","","0.0924","0.0978","","","","","","1.003","","","","has coordinates","177350","2020-10-21","18:00:00",""
"1542701","10.2811","0.0014","11.149","0.0016","11.3115","0.0017","90","","115.56","0.002","90","","1169.7","0.3","296","2","296","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C26 H20 Cl F3 N2 O3 -","- C26 H20 Cl F3 N2 O3 -","- C52 H40 Cl2 F6 N4 O6 -","2","1","","Li, Xiaoyuan; Su, Jinhuan; Liu, Zhourujun; Zhu, Yuanyuan; Dong, Zhenghao; Qiu, Shuai; Wang, Jiayi; Lin, Li; Shen, Zhiqiang; Yan, Wenjin; Wang, Kairong; Wang, Rui","Synthesis of Chiral α-Trifluoromethylamines with 2,2,2-Trifluoroethylamine as a ""Building Block"".","Organic letters","2016","18","5","956","","10.1021/acs.orglett.5b03566","","","0.71073","MoKα","","0.0307","0.0294","","","0.0678","0.0688","","","","","","1.005","","","","has coordinates","177351","2020-10-21","18:00:00",""
"1542702","7.0244","0.0003","7.2782","0.0003","10.394","0.0004","99.34","0.002","92.323","0.001","91.732","0.002","523.55","0.04","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C10 H6 F3 N3 O -","- C10 H6 F3 N3 O -","- C20 H12 F6 N6 O2 -","2","1","","Pieber, Bartholomäus; Kappe, C. Oliver","Generation and Synthetic Application of Trifluoromethyl Diazomethane Utilizing Continuous Flow Technologies.","Organic letters","2016","18","5","1076","","10.1021/acs.orglett.6b00194","","","0.71073","MoKα","","0.0521","0.0409","","","0.1092","0.117","","","","","","1.032","","","","has coordinates","177352","2020-10-21","18:00:00",""
"1542703","5.584","0.0004","11.7071","0.0009","12.0947","0.0009","85.184","0.005","83.294","0.005","87.881","0.005","782.18","0.1","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H15 F5 O3 S -","- C16 H15 F5 O3 S -","- C32 H30 F10 O6 S2 -","2","1","","Friese, Florian W.; Dreier, Anna-Lena; Matsnev, Andrej V.; Daniliuc, Constantin G.; Thrasher, Joseph S.; Haufe, Günter","Anti-Selective Aldol Reactions of Pentafluorosulfanylacetic Acid Esters with Aldehydes Mediated by Dicyclohexylchloroborane.","Organic letters","2016","18","5","1012","","10.1021/acs.orglett.6b00136","","","1.54178","CuKα","","0.1165","0.0769","","","0.1609","0.1793","","","","","","1.092","","","","has coordinates","177353","2020-10-21","18:00:00",""
"1542704","10.0879","0.0006","13.4704","0.0007","16.5159","0.0009","66.318","0.002","85.001","0.002","89.698","0.002","2046.4","0.2","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C17 H23 Cl2 F5 O3 S -","- C17 H23 Cl2 F5 O3 S -","- C68 H92 Cl8 F20 O12 S4 -","4","2","","Friese, Florian W.; Dreier, Anna-Lena; Matsnev, Andrej V.; Daniliuc, Constantin G.; Thrasher, Joseph S.; Haufe, Günter","Anti-Selective Aldol Reactions of Pentafluorosulfanylacetic Acid Esters with Aldehydes Mediated by Dicyclohexylchloroborane.","Organic letters","2016","18","5","1012","","10.1021/acs.orglett.6b00136","","","1.54178","CuKα","","0.098","0.0669","","","0.1531","0.1726","","","","","","1.099","","","","has coordinates,has disorder","177353","2020-10-21","18:00:00",""
"1542705","9.2196","0.0018","6.1859","0.0012","14.23","0.003","90","","94.59","0.03","90","","809","0.3","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C19 H19 N O3 -","- C19 H19 N O3 -","- C38 H38 N2 O6 -","2","1","","Wang, Jie; Wang, Mingyang; Chen, Kehao; Zha, Shanke; Song, Chao; Zhu, Jin","C-H Activation-Based Traceless Synthesis via Electrophilic Removal of a Directing Group. Rhodium(III)-Catalyzed Entry into Indoles from N-Nitroso and α-Diazo-β-keto Compounds.","Organic letters","2016","18","5","1178","","10.1021/acs.orglett.6b00310","","","1.54178","CuKα","","0.0305","0.0304","","","0.0837","0.0838","","","","","","1.071","","","","has coordinates","177354","2020-10-21","18:00:00",""
"1542706","8.922","0.0018","19.474","0.004","8.18","0.0016","90","","111.49","0.03","90","","1322.4","0.5","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C12 H14 N2 O5 -","- C12 H14 N2 O5 -","- C48 H56 N8 O20 -","4","1","","Wang, Jie; Wang, Mingyang; Chen, Kehao; Zha, Shanke; Song, Chao; Zhu, Jin","C-H Activation-Based Traceless Synthesis via Electrophilic Removal of a Directing Group. Rhodium(III)-Catalyzed Entry into Indoles from N-Nitroso and α-Diazo-β-keto Compounds.","Organic letters","2016","18","5","1178","","10.1021/acs.orglett.6b00310","","","0.71073","MoKα","","0.0917","0.0557","","","0.1469","0.177","","","","","","1.004","","","","has coordinates","177355","2020-10-21","18:00:00",""
"1542707","15.7725","0.0006","9.1679","0.0003","16.4313","0.0006","90","","115.84","0.001","90","","2138.41","0.13","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C21 H29 N O6 -","- C21 H29 N O6 -","- C84 H116 N4 O24 -","4","1","","Shen, Xin-Yue; Peng, Xiao-Shui; Wong, Henry N. C.","Total Synthesis of (±)-Gracilioether F.","Organic letters","2016","18","5","1032","","10.1021/acs.orglett.6b00161","","","1.54178","CuKα","","0.0754","0.061","","","0.1763","0.1914","","","","","","1.065","","","","has coordinates","177356","2020-10-21","18:00:00",""
"1542708","7.0953","0.0008","12.6329","0.0015","16.757","0.002","90","","90","","90","","1502","0.3","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C14 H18 F N O4 S -","- C14 H18 F N O4 S -","- C56 H72 F4 N4 O16 S4 -","4","1","","Wu, Liang; Chen, Pinhong; Liu, Guosheng","Pd(II)-Catalyzed Aminofluorination of Alkenes in Total Synthesis 6-(R)-Fluoroswainsonine and 5-(R)-Fluorofebrifugine.","Organic letters","2016","18","5","960","","10.1021/acs.orglett.6b00030","","","0.71073","MoKα","","0.0462","0.0392","","","0.0858","0.0888","","","","","","0.985","","","","has coordinates","177357","2020-10-21","18:00:00",""
"1542709","3.8508","0.0001","12.3597","0.0004","18.3893","0.0006","82.341","0.002","88.727","0.002","87.157","0.002","866.25","0.05","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C22 H17 N3 O2 -","- C22 H17 N3 O2 -","- C44 H34 N6 O4 -","2","1","","Kumar, Gangam Srikanth; Kapur, Manmohan","Ruthenium-Catalyzed, Site-Selective C-H Allylation of Indoles with Allyl Alcohols as Coupling Partners.","Organic letters","2016","18","5","1112","","10.1021/acs.orglett.6b00217","","","0.71073","MoKα","","0.0961","0.059","","","0.1385","0.158","","","","","","1.082","","","","has coordinates","177358","2020-10-21","18:00:00",""
"1542710","9.7821","0.0009","10.3912","0.0009","35.968","0.003","90","","90","","90","","3656.1","0.6","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C22 H18 Br N O -","- C22 H18 Br N O -","- C176 H144 Br8 N8 O8 -","8","2","","Liu, Zhen-Ting; Wang, Ya-Hui; Zhu, Fu-Lin; Hu, Xiang-Ping","Enantioselective Copper-Catalyzed Formal [4 + 2] Cycloaddition of o-Aminophenol Derivatives with Propargylic Esters for Synthesis of Optically Active 3,4-Dihydro-2H-1,4-benzoxazines.","Organic letters","2016","18","5","1190","","10.1021/acs.orglett.6b00322","","","0.71073","MoKα","","0.1165","0.044","","","0.0815","0.0985","","","","","","0.922","","","","has coordinates","177359","2020-10-21","18:00:00",""
"1542711","7.603","0.004","10.723","0.005","16.702","0.008","90","","91.919","0.006","90","","1360.9","1.2","173","","173","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C15 H10 Br I O -","- C15 H10 Br I O -","- C60 H40 Br4 I4 O4 -","4","1","","Sasaki, Teppei; Miyagi, Kotaro; Moriyama, Katsuhiko; Togo, Hideo","Direct Preparation of 3-Iodochromenes from 3-Aryl- and 3-Alkyl-2-propyn-1-ols with Diaryliodonium Salts and NIS.","Organic letters","2016","18","5","944","","10.1021/acs.orglett.5b03651","","","0.71073","MoKα","","0.0463","0.0379","","","0.119","0.125","","","","","","1.116","","","","has coordinates","177360","2020-10-21","18:00:00",""
"1542712","11.161","0.004","9.295","0.002","15.244","0.005","90","","94.06","0.006","90","","1577.5","0.8","113","2","113","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H16 F N O4 -","- C18 H16 F N O4 -","- C72 H64 F4 N4 O16 -","4","1","","Yang, Chen; Liu, Yang; Yang, Jin-Dong; Li, Yi-He; Li, Xin; Cheng, Jin-Pei","Amination of 3-Substituted Benzofuran-2(3H)-ones Triggered by Single-Electron Transfer.","Organic letters","2016","18","5","1036","","10.1021/acs.orglett.6b00163","","","0.71073","MoKα","","0.0374","0.0334","","","0.0856","0.0886","","","","","","1.026","","","","has coordinates","177361","2020-10-21","18:00:00",""
"1542713","38.088","0.005","12.3446","0.0017","34.909","0.005","90","","107.222","0.002","90","","15678","4","100.15","","100.15","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C79 H72 N6 O10 -","- C79 H72 N6 O10 -","- C632 H576 N48 O80 -","8","1","","Bi, Jiahai; Zeng, Xiangfei; Tian, Demei; Li, Haibing","Temperature-Responsive Switch Constructed from an Anthracene-Functionalized Pillar[5]arene-Based Host-Guest System.","Organic letters","2016","18","5","1092","","10.1021/acs.orglett.6b00097","","","0.71073","MoKα","","0.1186","0.0643","","","0.1684","0.2003","","","","","","1.029","","","","has coordinates,has disorder","177362","2020-10-21","18:00:00",""
"1542714","8.0564","0.0002","12.2225","0.0004","28.0933","0.0006","90","","90","","90","","2766.33","0.13","150","2","150","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C30 H44 O4 -","- C30 H44 O4 -","- C120 H176 O16 -","4","1","","Coffinier, Romain; Assal, Mourad El; Peixoto, Philippe A.; Bosset, Cyril; Miqueu, Karinne; Sotiropoulos, Jean-Marc; Pouységu, Laurent; Quideau, Stéphane","Total Synthesis of (-)-Bacchopetiolone via an Asymmetric Hydroxylative Phenol Dearomatization/[4+2]-Dimerization Cascade Promoted by a Novel Salen-Type Chiral Iodane.","Organic letters","2016","18","5","1120","","10.1021/acs.orglett.6b00224","","","1.54178","CuKα","","0.0887","0.0777","","","0.2234","0.2717","","","","","","1.169","","","","has coordinates","177363","2020-10-21","18:00:00",""
"1542715","15.2095","0.0012","5.9093","0.0004","12.9247","0.0011","90","","102.997","0.008","90","","1131.88","0.16","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H10 N2 O2 -","- C14 H10 N2 O2 -","- C56 H40 N8 O8 -","4","1","","Bhat, Shreesha V.; Robinson, David; Moses, John E.; Sharma, Pallavi","Synthesis of Oxadiazol-5-imines via the Cyclizative Capture of in Situ Generated Cyanamide Ions and Nitrile Oxides.","Organic letters","2016","18","5","1100","","10.1021/acs.orglett.6b00203","","x-ray","1.54184","CuKα","","0.0464","0.0433","","","0.1158","0.1189","","","","","","1.026","","","","has coordinates","177364","2020-10-21","18:00:00",""
"1542716","19.423","0.004","23.548","0.005","30.226","0.006","90","","98.09","0.03","90","","13687","5","153","2","153","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C114 H105 Br7 Cl9 N16 O19 -","- C112 H102 Br7 N16 O19 -","- C448 H408 Br28 N64 O76 -","4","1","","Li, Xuesong; Qi, Ting; Srinivas, Kolupula; Massip, Stéphane; Maurizot, Victor; Huc, Ivan","Synthesis and Multibromination of Nanosized Helical Aromatic Amide Foldamers via Segment-Doubling Condensation.","Organic letters","2016","18","5","1044","","10.1021/acs.orglett.6b00165","","","1.54178","CuKα","","0.183","0.1486","","","0.3486","0.3609","","","","","","1.5","","","","has coordinates","177365","2020-10-21","18:00:00",""
"1542717","59.25","0.012","37.63","0.008","38.83","0.008","90","","104.6","0.03","90","","83779","3","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C699.6 H691.6 Br14 Cl64.8 N96 O101 -","- C672 H652.6 Br14 N96 O101 -","- C2688 H2610.4 Br56 N384 O404 -","4","1","","Li, Xuesong; Qi, Ting; Srinivas, Kolupula; Massip, Stéphane; Maurizot, Victor; Huc, Ivan","Synthesis and Multibromination of Nanosized Helical Aromatic Amide Foldamers via Segment-Doubling Condensation.","Organic letters","2016","18","5","1044","","10.1021/acs.orglett.6b00165","","","0.855","synchrotron","","0.1376","0.0978","","","0.2543","0.2792","","","","","","1.095","","","","has coordinates,has disorder","177367","2020-10-21","18:00:00",""
"1542718","6.101","0.002","15.371","0.005","19.086","0.006","90","","90","","90","","1789.9","1","173.15","","173.15","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C19 H23 N O3 S -","- C19 H23 N O3 S -","- C76 H92 N4 O12 S4 -","4","1","","Pan, Hongjie; Huang, Hu; Liu, Weigang; Tian, Hua; Shi, Yian","Phosphine Oxide-Sc(OTf)3 Catalyzed Highly Regio- and Enantioselective Bromoaminocyclization of (E)-Cinnamyl Tosylcarbamates. An Approach to a Class of Synthetically Versatile Functionalized Molecules.","Organic letters","2016","18","5","896","","10.1021/acs.orglett.5b03459","","","0.71073","MoKα","","0.049","0.0457","","","0.0813","0.0825","","","","","","1.162","","","","has coordinates","177368","2020-10-21","18:00:00",""
"1542719","5.804","0.002","22.592","0.007","6.639","0.002","90","","115.905","0.004","90","","783.1","0.4","173.15","","173.15","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C16 H19 N O3 S -","- C16 H19 N O3 S -","- C32 H38 N2 O6 S2 -","2","1","","Pan, Hongjie; Huang, Hu; Liu, Weigang; Tian, Hua; Shi, Yian","Phosphine Oxide-Sc(OTf)3 Catalyzed Highly Regio- and Enantioselective Bromoaminocyclization of (E)-Cinnamyl Tosylcarbamates. An Approach to a Class of Synthetically Versatile Functionalized Molecules.","Organic letters","2016","18","5","896","","10.1021/acs.orglett.5b03459","","","0.71073","MoKα","","0.0301","0.0296","","","0.0755","0.0757","","","","","","1.049","","","","has coordinates","177369","2020-10-21","18:00:00",""
"1542720","8.115","0.002","11.495","0.003","19.441","0.006","90","","90","","90","","1813.5","0.9","173.15","","173.15","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C18 H18 Br N O5 S -","- C18 H18 Br N O5 S -","- C72 H72 Br4 N4 O20 S4 -","4","1","","Pan, Hongjie; Huang, Hu; Liu, Weigang; Tian, Hua; Shi, Yian","Phosphine Oxide-Sc(OTf)3 Catalyzed Highly Regio- and Enantioselective Bromoaminocyclization of (E)-Cinnamyl Tosylcarbamates. An Approach to a Class of Synthetically Versatile Functionalized Molecules.","Organic letters","2016","18","5","896","","10.1021/acs.orglett.5b03459","","","0.71073","MoKα","","0.0341","0.0319","","","0.0642","0.0652","","","","","","1.101","","","","has coordinates","177370","2020-10-21","18:00:00",""
"1542721","7.758","0.005","10.373","0.007","19.137","0.017","90","","90","","90","","1540","2","173.15","","173.15","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C16 H19 N O4 S -","- C16 H19 N O4 S -","- C64 H76 N4 O16 S4 -","4","1","","Pan, Hongjie; Huang, Hu; Liu, Weigang; Tian, Hua; Shi, Yian","Phosphine Oxide-Sc(OTf)3 Catalyzed Highly Regio- and Enantioselective Bromoaminocyclization of (E)-Cinnamyl Tosylcarbamates. An Approach to a Class of Synthetically Versatile Functionalized Molecules.","Organic letters","2016","18","5","896","","10.1021/acs.orglett.5b03459","","","0.71073","MoKα","","0.0542","0.0513","","","0.1095","0.1113","","","","","","1.093","","","","has coordinates","177371","2020-10-21","18:00:00",""
"1542722","14.6","0.004","14.941","0.004","16.318","0.004","90","","90","","90","","3559.6","1.6","173.15","","173.15","","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C17 H13 Br F3 N O4 S -","- C17 H13 Br F3 N O4 S -","- C136 H104 Br8 F24 N8 O32 S8 -","8","2","","Pan, Hongjie; Huang, Hu; Liu, Weigang; Tian, Hua; Shi, Yian","Phosphine Oxide-Sc(OTf)3 Catalyzed Highly Regio- and Enantioselective Bromoaminocyclization of (E)-Cinnamyl Tosylcarbamates. An Approach to a Class of Synthetically Versatile Functionalized Molecules.","Organic letters","2016","18","5","896","","10.1021/acs.orglett.5b03459","","","0.71073","MoKα","","0.0669","0.0588","","","0.1141","0.1206","","","","","","1.12","","","","has coordinates","177372","2020-10-21","18:00:00",""
"1542723","5.9781","0.0018","19.198","0.006","7.657","0.002","90","","108.46","0.003","90","","833.6","0.4","173.15","","173.15","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C16 H18 Br N O3 S -","- C16 H18 Br N O3 S -","- C32 H36 Br2 N2 O6 S2 -","2","1","","Pan, Hongjie; Huang, Hu; Liu, Weigang; Tian, Hua; Shi, Yian","Phosphine Oxide-Sc(OTf)3 Catalyzed Highly Regio- and Enantioselective Bromoaminocyclization of (E)-Cinnamyl Tosylcarbamates. An Approach to a Class of Synthetically Versatile Functionalized Molecules.","Organic letters","2016","18","5","896","","10.1021/acs.orglett.5b03459","","","0.71073","MoKα","","0.029","0.0277","","","0.0671","0.0678","","","","","","1.111","","","","has coordinates","177373","2020-10-21","18:00:00",""
"1542724","5.4849","0.0014","12.639","0.003","24.563","0.007","90","","90","","90","","1702.8","0.8","223.15","","223.15","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C16 H18 N4 O3 S -","- C16 H18 N4 O3 S -","- C64 H72 N16 O12 S4 -","4","1","","Pan, Hongjie; Huang, Hu; Liu, Weigang; Tian, Hua; Shi, Yian","Phosphine Oxide-Sc(OTf)3 Catalyzed Highly Regio- and Enantioselective Bromoaminocyclization of (E)-Cinnamyl Tosylcarbamates. An Approach to a Class of Synthetically Versatile Functionalized Molecules.","Organic letters","2016","18","5","896","","10.1021/acs.orglett.5b03459","","","0.71073","MoKα","","0.0493","0.0474","","","0.0993","0.1003","","","","","","1.141","","","","has coordinates","177374","2020-10-21","18:00:00",""
"1542725","7.819","0.002","11.246","0.003","9.64","0.002","90","","94.539","0.004","90","","845","0.4","173.15","","173.15","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C17 H16 Br N O4 S -","- C17 H16 Br N O4 S -","- C34 H32 Br2 N2 O8 S2 -","2","1","","Pan, Hongjie; Huang, Hu; Liu, Weigang; Tian, Hua; Shi, Yian","Phosphine Oxide-Sc(OTf)3 Catalyzed Highly Regio- and Enantioselective Bromoaminocyclization of (E)-Cinnamyl Tosylcarbamates. An Approach to a Class of Synthetically Versatile Functionalized Molecules.","Organic letters","2016","18","5","896","","10.1021/acs.orglett.5b03459","","","0.71073","MoKα","","0.0316","0.0301","","","0.062","0.0629","","","","","","1.107","","","","has coordinates","177376","2020-10-21","18:00:00",""
"1542726","16.401","0.002","6.9386","0.0009","20.666","0.002","90","","97.089","0.003","90","","2333.8","0.5","147","2","147","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","(1a<i>R</i>*,2<i>R</i>*,7<i>S</i>*,7a<i>S</i>*)-<i>rel</i>-3,6-Dimethoxy-2-methyl-1a,2,7,7a-tetrahydro-2,7-epoxy-1<i>H</i>-cyclopropa[<i>b</i>]naphthalene","","- C14 H16 O3 -","- C14 H16 O3 -","- C112 H128 O24 -","8","1","HB4021","Lough, Alan J.; Carlson, Emily; Tam, William","(1a<i>R</i>*,2<i>R</i>*,7<i>S</i>*,7a<i>S</i>*)-<i>rel</i>-3,6-Dimethoxy-2-methyl-1a,2,7,7a-tetrahydro-2,7-epoxy-1<i>H</i>-cyclopropa[<i>b</i>]naphthalene","IUCrData","2016","1","3","x160341","","10.1107/S2414314616003412","","","0.71073","MoKα","","0.0672","0.0409","","","0.0909","0.1038","","","","","","1.017","","","","has coordinates,has Fobs","177600","2020-10-21","18:00:00",""
"1542727","12.44","0.003","13.07","0.003","13.579","0.003","93.489","0.005","117.157","0.004","115.354","0.004","1682.6","0.7","173","2","173","2","","","","","","","","8","P -1","-P 1","2","","μ-Chlorido-bis[(dimethyl sulfoxide-κ<i>O</i>)bis(triphenylphosphane-κ<i>P</i>)silver(I)] nitrate","","- C76 H72 Ag2 Cl N O5 P4 S2 -","- C76 H72 Ag2 Cl N O5 P4 S2 -","- C76 H72 Ag2 Cl N O5 P4 S2 -","1","0.5","WM4005","Li, Yun-Hua; Shao, Yong-Liang","μ-Chlorido-bis[(dimethyl sulfoxide-κ<i>O</i>)bis(triphenylphosphane-κ<i>P</i>)silver(I)] nitrate","IUCrData","2016","1","3","x160332","","10.1107/S2414314616003321","","","0.71073","MoKα","","0.0707","0.0639","","","0.1477","0.1528","","","","","","1.123","","","","has coordinates,has disorder,has Fobs","177601","2020-10-21","18:00:00",""
"1542728","5.2542","0.0017","10.374","0.003","11.341","0.004","94.937","0.003","102.429","0.003","102.811","0.003","582.8","0.3","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","<i>N</i>-Hexyl-3,4-dihydroxybenzamide","","- C13 H19 N O3 -","- C13 H19 N O3 -","- C26 H38 N2 O6 -","2","1","SU4015","Moriguchi, Tetsuji; Kamoto, Ryota; Jalli, Venkataprasad; Tsuge, Akihiko","<i>N</i>-Hexyl-3,4-dihydroxybenzamide","IUCrData","2016","1","3","x160346","","10.1107/S2414314616003461","","","0.71073","MoKα","","0.0448","0.0355","","","0.085","0.0897","","","","","","1.038","","","","has coordinates,has Fobs","177602","2020-10-21","18:00:00",""
"1542729","15.262","0.006","9.355","0.004","15.832","0.006","90","","92.858","0.004","90","","2257.6","1.6","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","Cu-tpbn","[μ-<i>N</i>,<i>N</i>,<i>N</i>',<i>N</i>'-Tetrakis(pyridin-2-ylmethyl)butane-1,4-diamine]bis[(dimethanol-κ<i>O</i>)(perchlorato-κ<i>O</i>)copper(II)] bis(perchlorate)","","- C32 H48 Cl4 Cu2 N6 O20 -","- C32 H48 Cl4 Cu2 N6 O20 -","- C64 H96 Cl8 Cu4 N12 O40 -","2","0.5","BT4002","Zhu, Xian-Hong; Li, Peng; Chen, Xiao-Wei; Ke, Wen-Shan; Chen, Fei; Zhang, Hua-Xin","[μ-<i>N</i>,<i>N</i>,<i>N</i>',<i>N</i>'-Tetrakis(pyridin-2-ylmethyl)butane-1,4-diamine]bis[(dimethanol-κ<i>O</i>)(perchlorato-κ<i>O</i>)copper(II)] bis(perchlorate)","IUCrData","2016","1","3","x160344","","10.1107/S2414314616003448","","","0.71073","MoKα","","0.0453","0.0398","","","0.1148","0.1193","","","","","","1.045","","","","has coordinates,has Fobs","181480","2020-10-21","18:00:00",""
"1542730","22.283","0.003","10.1485","0.0015","6.7864","0.0011","90","","90","","90","","1534.7","0.4","293","2","293","2","","","","","","","","2","P n a 21","P 2c -2n","33","","","","- C22 H18 -","- C22 H18 -","- C88 H72 -","4","1","","Chen, Gen-Qiang; Fang, Wei; Wei, Yin; Tang, Xiang-Ying; Shi, Min","Divergent reaction pathways in gold-catalyzed cycloisomerization of 1,5-enynes containing a cyclopropane ring: dramatic ortho substituent and temperature effects","Chem. Sci.","2016","7","7","4318","","10.1039/C6SC00058D","","","0.71073","MoKα","","0.049","0.0455","","","0.1115","0.1144","","","","","","1.077","","","","has coordinates","185120","2020-10-21","18:00:00",""
"1542731","7.4014","0.0012","11.2513","0.0018","19.726","0.003","90","","91.021","0.004","90","","1642.4","0.4","293","2","293","2","","","","","","","","2","P 1 21/n 1","-P 2yn","14","","","","- C24 H18 -","- C24 H18 -","- C96 H72 -","4","1","","Chen, Gen-Qiang; Fang, Wei; Wei, Yin; Tang, Xiang-Ying; Shi, Min","Divergent reaction pathways in gold-catalyzed cycloisomerization of 1,5-enynes containing a cyclopropane ring: dramatic ortho substituent and temperature effects","Chem. Sci.","2016","7","7","4318","","10.1039/C6SC00058D","","","0.71073","MoKα","","0.1389","0.0744","","","0.1758","0.2087","","","","","","1.052","","","","has coordinates","185120","2020-10-21","18:00:00",""
"1542732","9.9373","0.0012","5.8477","0.0007","23.768","0.003","90","","98.064","0.002","90","","1367.5","0.3","130","","130","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C19 H18 O -","- C19 H18 O -","- C76 H72 O4 -","4","1","","Chen, Gen-Qiang; Fang, Wei; Wei, Yin; Tang, Xiang-Ying; Shi, Min","Divergent reaction pathways in gold-catalyzed cycloisomerization of 1,5-enynes containing a cyclopropane ring: dramatic ortho substituent and temperature effects","Chem. Sci.","2016","7","7","4318","","10.1039/C6SC00058D","","","0.71073","MoKα","","0.0618","0.0498","","","0.1357","0.1454","","","","","","1.037","","","","has coordinates","185120","2020-10-21","18:00:00",""
"1542733","7.9475","0.0016","10.528","0.002","11.586","0.003","93.439","0.011","108.109","0.01","96.394","0.011","911.1","0.4","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C19 H19 Cl O5 -","- C19 H19 Cl O5 -","- C38 H38 Cl2 O10 -","2","1","","Che, Chao; Huang, Qianwen; Zheng, Hanliang; Zhu, Gangguo","Copper-catalyzed cascade annulation of unsaturated α-bromocarbonyls with enynals: a facile access to ketones from aldehydes","Chem. Sci.","2016","7","7","4134","","10.1039/C5SC04980F","","","0.71073","MoKα","","0.0832","0.0619","","","0.1631","0.1874","","","","","","1.042","","","","has coordinates","185130","2020-10-21","18:00:00",""
"1542734","8.172","0.0019","9.085","0.002","13.302","0.003","85.887","0.006","79.292","0.005","63.379","0.004","867.4","0.3","296","2","296","2","","","","","","","","3","P -1","-P 1","2","","","","- C20 H22 O5 -","- C20 H22 O5 -","- C40 H44 O10 -","2","1","","Che, Chao; Huang, Qianwen; Zheng, Hanliang; Zhu, Gangguo","Copper-catalyzed cascade annulation of unsaturated α-bromocarbonyls with enynals: a facile access to ketones from aldehydes","Chem. Sci.","2016","7","7","4134","","10.1039/C5SC04980F","","","0.71073","MoKα","","0.0959","0.0853","","","0.248","0.2574","","","","","","1.492","","","","has coordinates,has disorder","185130","2020-10-21","18:00:00",""
"1542735","9.9793","0.0012","11.954","0.0015","15.515","0.002","90.309","0.007","90.735","0.007","101.28","0.007","1814.9","0.4","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C19 H19 Cl O6 -","- C19 H19 Cl O6 -","- C76 H76 Cl4 O24 -","4","2","","Che, Chao; Huang, Qianwen; Zheng, Hanliang; Zhu, Gangguo","Copper-catalyzed cascade annulation of unsaturated α-bromocarbonyls with enynals: a facile access to ketones from aldehydes","Chem. Sci.","2016","7","7","4134","","10.1039/C5SC04980F","","","0.71073","MoKα","","0.1273","0.072","","","0.1765","0.2177","","","","","","1.017","","","","has coordinates","185130","2020-10-21","18:00:00",""
"1542736","14.8667","","23.2445","","16.5946","","90","","91.203","","90","","5733.31","","103","","103","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C22 H19 F6 N4 O8 Os S2 -","- C22 H17 F6 N4 O8 Os S2 -","- C176 H136 F48 N32 O64 Os8 S16 -","8","2","","Sugimoto, Hideki; Kanetake, Takayuki; Maeda, Kazuki; Itoh, Shinobu","Oxidative Cyclization of 1,5-Dienes with Hydrogen Peroxide Catalyzed by an Osmium(III) Complex: Synthesis of cis-Tetrahydrofurans.","Organic letters","2016","18","6","1246","1249","10.1021/acs.orglett.6b00064","","","0.71075","MoKα","","","0.0777","","","","0.1876","","","","","","1.132","","","","has coordinates","214153","2020-10-21","18:00:00",""
"1542737","28.1106","0.0007","5.872","0.0002","21.0927","0.0006","90","","130.543","0.001","90","","2645.79","0.14","133","2","133","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C15 H15 N O5 -","- C15 H15 N O5 -","- C120 H120 N8 O40 -","8","1","","Wendler, Felix; Rudolph, Tobias; Görls, Helmar; Jasinski, Nils; Trouillet, Vanessa; Barner-Kowollik, Christopher; Schacher, Felix H.","Maleimide-functionalized poly(2-ethyl-2-oxazoline): synthesis and reactivity","Polym. Chem.","2016","7","13","2419","","10.1039/C6PY00033A","","","0.71073","MoKα","","0.0448","0.0379","","","0.0925","0.0968","","","","","","1.057","","","","has coordinates","181805","2020-10-21","18:00:00",""
"1542741","4.832","0.0007","30.042","0.005","13.79","0.002","90","","90.81","0.004","90","","2001.6","0.5","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C27 H19 N3 O -","- C27 H19 N3 O -","- C108 H76 N12 O4 -","4","1","","Wang, Fen; Wang, He; Wang, Qiang; Yu, Songjie; Li, Xingwei","Co(III)-Catalyzed Synthesis of Quinazolines via C-H Activation of N-Sulfinylimines and Benzimidates.","Organic letters","2016","18","6","1306","1309","10.1021/acs.orglett.6b00227","","","0.71073","MoKα","","0.0967","0.0505","","","0.1328","0.1685","","","","","","0.896","","","","has coordinates,has disorder","181453","2020-10-21","18:00:00",""
"1542742","11.0077","0.0006","9.7685","0.0006","14.9709","0.0007","90","","103.216","0.003","90","","1567.17","0.15","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C33 H40 O7 S -","- C33 H40 O7 S -","- C66 H80 O14 S2 -","2","1","","Vibhute, Amol M.; Dhaka, Arun; Athiyarath, Vignesh; Sureshan, Kana M.","A versatile glycosylation strategy via Au(iii) catalyzed activation of thioglycoside donors","Chem. Sci.","2016","7","7","4259","","10.1039/C6SC00633G","","","0.71073","MoKα","","0.1106","0.0497","","","0.1087","0.136","","","","","","0.895","","","","has coordinates","185107","2020-10-21","18:00:00",""
"1542743","10.375","0.002","16.767","0.004","10.757","0.002","90","","97.534","0.004","90","","1855.1","0.7","273","2","273","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C22 H16 Cl N O2 S -","- C22 H16 Cl N O2 S -","- C88 H64 Cl4 N4 O8 S4 -","4","1","","Zhang, Liangliang; Chen, Su; Gao, Yuzhen; Zhang, Pengbo; Wu, Yile; Tang, Guo; Zhao, Yufen","tert-Butyl Hydroperoxide Mediated Cascade Synthesis of 3-Arylsulfonylquinolines.","Organic letters","2016","18","6","1286","1289","10.1021/acs.orglett.6b00198","","","0.71073","MoKα","","0.0766","0.0644","","","0.1371","0.1434","","","","","","1.156","","","","has coordinates","214153","2020-10-21","18:00:00",""
"1542744","9.1055","0.0002","9.4967","0.0002","30.8939","0.0007","90","","90","","90","","2671.46","0.1","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C14 H17 N O3 -","- C14 H17 N O3 -","- C112 H136 N8 O24 -","8","1","","Zhu, Chuanle; Li, Jiawei; Chen, Pengquan; Wu, Wanqing; Ren, Yanwei; Jiang, Huanfeng","Transition-Metal-Free Cyclopropanation of 2-Aminoacrylates with N-Tosylhydrazones: A General Route to Cyclopropane α-Amino Acid with Contiguous Quaternary Carbon Centers.","Organic letters","2016","18","6","1470","1473","10.1021/acs.orglett.6b00416","","","1.54178","CuKα","","0.0564","0.0492","","","0.1383","0.1457","","","","","","0.95","","","","has coordinates","194547","2020-10-21","18:00:00",""
"1542745","8.8082","0.0018","19.624","0.004","9.7487","0.0019","90","","95.42","0.03","90","","1677.5","0.6","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H19 N O5 -","- C16 H19 N O5 -","- C64 H76 N4 O20 -","4","1","","Zhu, Chuanle; Li, Jiawei; Chen, Pengquan; Wu, Wanqing; Ren, Yanwei; Jiang, Huanfeng","Transition-Metal-Free Cyclopropanation of 2-Aminoacrylates with N-Tosylhydrazones: A General Route to Cyclopropane α-Amino Acid with Contiguous Quaternary Carbon Centers.","Organic letters","2016","18","6","1470","1473","10.1021/acs.orglett.6b00416","","","0.71073","MoKα","","0.0975","0.0652","","","0.1822","0.2244","","","","","","0.952","","","","has coordinates","181457","2020-10-21","18:00:00",""
"1542746","27.1499","0.0001","27.1499","0.0001","27.1499","0.0001","90","","90","","90","","20012.7","0.13","293","2","293","2","","","","","","","","7","P 21 3","P 2ac 2ab 3","198","","","","- C48 H191 Co5 N40 O126 Sb9 W24 -","- C48 H93 Co5 N39.98 O120.01 Sb9 W24 -","- C192 H372 Co20 N159.92 O480.04 Sb36 W96 -","4","0.333333","","Zhang, Zhi-Ming; Duan, Xiaopin; Yao, Shuang; Wang, Zhishu; Lin, Zekai; Li, Yang-Guang; Long, La-Sheng; Wang, En-Bo; Lin, Wenbin","Cation-mediated optical resolution and anticancer activity of chiral polyoxometalates built from entirely achiral building blocks","Chem. Sci.","2016","7","7","4220","","10.1039/C5SC04408A","","","0.71073","MoKα","","0.0839","0.0615","","","0.1132","0.124","","","","","","1.053","","","","has coordinates","185122","2020-10-21","18:00:00",""
"1542747","21.9241","0.0013","26.104","0.0015","42.1665","0.0019","90","","119.618","0.002","90","","20979","2","100","2","100","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C60 H235 Cl Co4 N49 O133 Sb9 W24 -","- C60 H106 Cl Co4 N49 O118 Sb9 W24 -","- C240 H424 Cl4 Co16 N196 O472 Sb36 W96 -","4","1","","Zhang, Zhi-Ming; Duan, Xiaopin; Yao, Shuang; Wang, Zhishu; Lin, Zekai; Li, Yang-Guang; Long, La-Sheng; Wang, En-Bo; Lin, Wenbin","Cation-mediated optical resolution and anticancer activity of chiral polyoxometalates built from entirely achiral building blocks","Chem. Sci.","2016","7","7","4220","","10.1039/C5SC04408A","","","0.41328","","","0.0668","0.0454","","","0.1337","0.1562","","","","","","0.97","","","","has coordinates,has disorder","185122","2020-10-21","18:00:00",""
"1542748","16.853","0.003","17.211","0.003","18.087","0.004","99.16","0.03","91.7","0.03","96.78","0.03","5136.9","1.8","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C48 H47 N10 O10.5 S2 -","- C48 H42 N10 O8 S2 -","- C192 H168 N40 O32 S8 -","4","2","","Shang, Jia; Rambo, Brett M.; Hao, Xiang; Xiang, Jun-Feng; Gong, Han-Yuan; Sessler, Jonathan L.","Post-synthetic modification of a macrocyclic receptor via regioselective imidazolium ring-opening","Chem. Sci.","2016","7","7","4148","","10.1039/C5SC04860E","","","0.71073","MoKα","","0.2232","0.1539","","","0.3146","0.3478","","","","","","0.997","","","","has coordinates","185127","2020-10-21","18:00:00",""
"1542749","13.49","0.003","18.126","0.004","20.197","0.004","90","","101.26","0.03","90","","4843.5","1.9","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C48 H52 N10 O13 S2 -","- C48 H42 N10 O8 S2 -","- C192 H168 N40 O32 S8 -","4","1","","Shang, Jia; Rambo, Brett M.; Hao, Xiang; Xiang, Jun-Feng; Gong, Han-Yuan; Sessler, Jonathan L.","Post-synthetic modification of a macrocyclic receptor via regioselective imidazolium ring-opening","Chem. Sci.","2016","7","7","4148","","10.1039/C5SC04860E","","","0.71073","MoKα","","0.148","0.1162","","","0.22","0.2401","","","","","","1.005","","","","has coordinates","185127","2020-10-21","18:00:00",""
"1542750","10.032","0.002","10.288","0.002","15.459","0.003","80.45","0.03","80.06","0.03","80.81","0.03","1535.6","0.6","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C54 H68 F12 N10 O10 P2 -","- C54 H68 F12 N10 O10 P2 -","- C54 H68 F12 N10 O10 P2 -","1","0.5","","Shang, Jia; Rambo, Brett M.; Hao, Xiang; Xiang, Jun-Feng; Gong, Han-Yuan; Sessler, Jonathan L.","Post-synthetic modification of a macrocyclic receptor via regioselective imidazolium ring-opening","Chem. Sci.","2016","7","7","4148","","10.1039/C5SC04860E","","","0.71073","MoKα","","0.0846","0.0758","","","0.1585","0.1643","","","","","","1.011","","","","has coordinates","185127","2020-10-21","18:00:00",""
"1542751","11.353","0.002","20.065","0.004","19.117","0.004","90","","98.58","0.03","90","","4306.1","1.5","153","2","153","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C40 H39 F12 N11 O2 P2 -","- C40 H39 F12 N11 O2 P2 -","- C160 H156 F48 N44 O8 P8 -","4","1","","Shang, Jia; Rambo, Brett M.; Hao, Xiang; Xiang, Jun-Feng; Gong, Han-Yuan; Sessler, Jonathan L.","Post-synthetic modification of a macrocyclic receptor via regioselective imidazolium ring-opening","Chem. Sci.","2016","7","7","4148","","10.1039/C5SC04860E","","","0.71073","MoKα","","0.0985","0.0804","","","0.1687","0.1791","","","","","","1.02","","","","has coordinates,has disorder","185127","2020-10-21","18:00:00",""
"1542752","28.552","0.006","13.685","0.003","22.641","0.005","90","","103.63","0.03","90","","8597","3","153","2","153","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C40 H41 F12 N11 O3 P2 -","- C40 H41 F12 N11 O3 P2 -","- C320 H328 F96 N88 O24 P16 -","8","1","","Shang, Jia; Rambo, Brett M.; Hao, Xiang; Xiang, Jun-Feng; Gong, Han-Yuan; Sessler, Jonathan L.","Post-synthetic modification of a macrocyclic receptor via regioselective imidazolium ring-opening","Chem. Sci.","2016","7","7","4148","","10.1039/C5SC04860E","","","0.71073","MoKα","","0.099","0.0786","","","0.1624","0.1758","","","","","","1.016","","","","has coordinates","185127","2020-10-21","18:00:00",""
"1542753","11.2187","0.0006","15.6963","0.001","9.3981","0.0006","90","","90.354","0.005","90","","1654.9","0.17","296","2","296","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C20 H18 O6 -","- C20 H18 O6 -","- C80 H72 O24 -","4","1","","Do, Lien T. M.; Aree, Thammarat; Siripong, Pongpun; Pham, Tuyen N. K.; Nguyen, Phung K. P.; Tip-pyang, Santi","Bougainvinones A‒H, Peltogynoids from the Stem Bark of PurpleBougainvillea spectabilisand Their Cytotoxic Activity","Journal of Natural Products","2016","","","","","10.1021/acs.jnatprod.5b00996","","","0.71073","MoKα","","0.1471","0.0492","","","0.1077","0.1413","","","","","","0.831","","","","has coordinates","178102","2020-10-21","18:00:00",""
"1542754","11.962","0.0007","9.0103","0.0005","13.2047","0.0008","90","","109.893","0.006","90","","1338.29","0.14","123","","123","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","(Z)-N-(2-Iodophenyl)-4-nitrobenzimidoyl cyanide","(<i>Z</i>)-<i>N</i>-(2-Iodophenyl)-4-nitrobenzimidoyl cyanide","","- C14 H8 I N3 O2 -","- C14 H8 I N3 O2 -","- C56 H32 I4 N12 O8 -","4","1","TK4003","Moreno-Fuquen, Rodolfo; Garcia, Andres C.; Abonia, Rodrigo; Jaramillo-Gómez, Luz M.; Kennedy, Alan R.","(<i>Z</i>)-<i>N</i>-(2-Iodophenyl)-4-nitrobenzimidoyl cyanide","IUCrData","2016","1","2","x160315","","10.1107/S2414314616003151","","","0.71073","MoKα","","0.0392","0.0319","","","0.0801","0.0866","","","","","","1.071","","","","has coordinates,has Fobs","178120","2020-10-21","18:00:00",""
"1542755","4.5856","0.0003","14.2281","0.0009","8.3312","0.0004","90","","98.515","0.005","90","","537.57","0.06","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","2,5-Dimethoxy-3,4,6-trimethylbenzaldehyde","","- C12 H16 O3 -","- C12 H16 O3 -","- C24 H32 O6 -","2","0.5","HG4003","Wickramasinhage, Ravindra; McAdam, C. John; Simpson, Jim","2,5-Dimethoxy-3,4,6-trimethylbenzaldehyde","IUCrData","2016","1","2","x160307","","10.1107/S2414314616003072","","","1.54184","CuKα","","0.072","0.0648","","","0.1815","0.1864","","","","","","1.12","","","","has coordinates,has disorder,has Fobs","178121","2020-10-21","18:00:00",""
"1542756","11.0447","0.0005","13.4587","0.0006","13.9291","0.0006","64.297","0.004","82.371","0.004","85.629","0.004","1848.74","0.16","153","2","153","2","","","","","","","","6","P -1","-P 1","2","[η2(N,N)-Ph2Si(DippN)2Ge(μ-S)]2","1,3,7,9-Tetrakis[2,6-bis(1-methylethyl)phenyl]-2,2,8,8-tetraphenyl-5,10-dithia-1,3,7,9-tetraaza-2,8-disila-4,6-digermadispiro[3.1.3.1]decane acetonitrile monosolvate","","- C74 H91 Ge2 N5 S2 Si2 -","- C74 H91 Ge2 N5 S2 Si2 -","- C74 H91 Ge2 N5 S2 Si2 -","1","0.5","SJ4006","Guo, Wenzhen; Ma, Fengle; Zheng, Wenjun","1,3,7,9-Tetrakis[2,6-bis(1-methylethyl)phenyl]-2,2,8,8-tetraphenyl-5,10-dithia-1,3,7,9-tetraaza-2,8-disila-4,6-digermadispiro[3.1.3.1]decane acetonitrile monosolvate","IUCrData","2016","1","2","x160299","","10.1107/S2414314616002996","","","0.71073","MoKα","","0.0678","0.046","","","0.1238","0.1375","","","","","","1.075","","","","has coordinates,has Fobs","178122","2020-10-21","18:00:00",""
"1542757","12.6427","0.0006","18.8486","0.0011","15.1377","0.0009","90","","112.782","0.002","90","","3325.8","0.3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","<i>N</i>,<i>N</i>,<i>N</i>',<i>N</i>',<i>N</i>'',<i>N</i>''-Hexamethylguanidinium di-μ~3~-chlorido-tetra-μ~2~-chlorido-decachloridotetrabismuthate acetonitrile disolvate","","- C32 H78 Bi4 Cl16 N14 -","- C32 H78 Bi4 Cl16 N14 -","- C64 H156 Bi8 Cl32 N28 -","2","0.5","ZL4006","Tiritiris, Ioannis; Knobloch, Georg; Saur, Stefan; Kantlehner, Willi","<i>N</i>,<i>N</i>,<i>N</i>',<i>N</i>',<i>N</i>'',<i>N</i>''-Hexamethylguanidinium di-μ~3~-chlorido-tetra-μ~2~-chlorido-decachloridotetrabismuthate acetonitrile disolvate","IUCrData","2016","1","2","x160317","","10.1107/S2414314616003175","","","0.71073","MoKα","","0.033","0.0211","","","0.0355","0.038","","","","","","1.008","","","","has coordinates,has disorder,has Fobs","178123","2020-10-21","18:00:00",""
"1542758","5.98282","0.00012","11.5033","0.0003","22.3942","0.0004","83.2783","0.0017","89.5639","0.0015","85.3431","0.0017","1525.57","0.06","160","2","160","2","","","","","","","","5","P -1","-P 1","2","","(E)-3-Benzyl-5-benzylideneoxazolidin-2-one","","- C17.5 H16 Cl N O2 -","- C17 H15 N O2 -","- C68 H60 N4 O8 -","4","2","","García-Domínguez, Patricia; Fehr, Lorenz; Rusconi, Giulia; Nevado, Cristina","Palladium-catalyzed incorporation of atmospheric CO2: efficient synthesis of functionalized oxazolidinones","Chem. Sci.","2016","7","6","3914","","10.1039/C6SC00419A","","","1.54184","CuKα","","0.0455","0.0433","","","0.1164","0.1183","","","","","","1.06","","","","has coordinates","185146","2020-10-21","18:00:00",""
"1542759","7.498","0.0002","5.69208","0.00016","19.4188","0.0005","90","","90.668","0.003","90","","828.72","0.04","160","2","160","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","(E)-5-benzylideneoxazolidin-2-one","","- C10 H9 N O2 -","- C10 H9 N O2 -","- C40 H36 N4 O8 -","4","1","","García-Domínguez, Patricia; Fehr, Lorenz; Rusconi, Giulia; Nevado, Cristina","Palladium-catalyzed incorporation of atmospheric CO2: efficient synthesis of functionalized oxazolidinones","Chem. Sci.","2016","7","6","3914","","10.1039/C6SC00419A","","","0.71073","MoKα","","0.0435","0.0344","","","0.077","0.083","","","","","","1.05","","","","has coordinates","211332","2020-10-21","18:00:00",""
"1542760","12.43088","0.00018","15.8294","0.0002","18.0723","0.0003","92.4918","0.0012","101.882","0.0012","100.546","0.0012","3408.97","0.09","160","2","160","2","","","","","","","","4","P -1","-P 1","2","","Methyl (E)-4-[1-(3-benzyl-2-oxooxazolidin-5-ylidene)ethyl]benzoate","","- C20 H19 N O4 -","- C20 H19 N O4 -","- C160 H152 N8 O32 -","8","4","","García-Domínguez, Patricia; Fehr, Lorenz; Rusconi, Giulia; Nevado, Cristina","Palladium-catalyzed incorporation of atmospheric CO2: efficient synthesis of functionalized oxazolidinones","Chem. Sci.","2016","7","6","3914","","10.1039/C6SC00419A","","","1.54184","CuKα","","0.0407","0.0365","","","0.0954","0.0993","","","","","","1.025","","","","has coordinates","185146","2020-10-21","18:00:00",""
"1542761","15.775","0.005","7.137","0.003","16.382","0.005","90","","107.97","0.03","90","","1754.4","1.1","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C15 H19 Br2 Cl O3 -","- C15 H19 Br2 Cl O3 -","- C60 H76 Br8 Cl4 O12 -","4","2","","Gutiérrez-Cepeda, Adrián; Fernández, José J; Norte, Manuel; López-Rodríguez, Matías; Brito, Iván; Muller, Christian D.; Souto, María L","Additional Insights into the Obtusallene Family: Components of Laurencia marilzae.","Journal of natural products","2016","79","4","1184","1188","10.1021/acs.jnatprod.5b01080","","","1.5418","CuKα","","0.0846","0.0647","","","0.1704","0.2058","","","","","","0.995","","","","has coordinates","183581","2020-10-21","18:00:00",""
"1542762","5.3218","0.0004","14.7425","0.0008","21.8252","0.0014","90","","90","","90","","1712.33","0.19","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C20 H31 N3 O -","- C20 H31 N3 O -","- C80 H124 N12 O4 -","4","1","","Li, Xiao-Hui; Zhang, Yu; Zhang, Jia-Hui; Li, Xiao-Nian; Cao, Ming-Ming; Di, Ying-Tong; Peng, Zong-Gen; Jiang, Jian-Dong; Hao, Xiao-Jiang","Myritonines A-C, Alkaloids from Myrioneuron tonkinensis Based on a Novel Hexacyclic Skeleton.","Journal of natural products","2016","79","4","1203","1207","10.1021/acs.jnatprod.5b01130","","","1.54178","CuKα","","0.0922","0.0727","","","0.206","0.2251","","","","","","1.215","","","","has coordinates","183582","2020-10-21","18:00:00",""
"1542763","5.4602","0.0004","17.7085","0.0015","18.1951","0.0015","90","","90","","90","","1759.3","0.2","296","2","296","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C20 H33 N3 -","- C20 H33 N3 -","- C80 H132 N12 -","4","1","","Li, Xiao-Hui; Zhang, Yu; Zhang, Jia-Hui; Li, Xiao-Nian; Cao, Ming-Ming; Di, Ying-Tong; Peng, Zong-Gen; Jiang, Jian-Dong; Hao, Xiao-Jiang","Myritonines A-C, Alkaloids from Myrioneuron tonkinensis Based on a Novel Hexacyclic Skeleton.","Journal of natural products","2016","79","4","1203","1207","10.1021/acs.jnatprod.5b01130","","","1.54178","CuKα","","0.2544","0.1025","","","0.2314","0.3373","","","","","","0.88","","","","has coordinates","183582","2020-10-21","18:00:00",""
"1542764","36.067","0.003","15.5582","0.001","18.7893","0.0013","90","","92.869","0.004","90","","10530.2","1.3","100","2","100","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C50 H45 Cl F12 N10 O3 P2 Ru2 -","- C50 H45 Cl F12 N10 O3 P2 Ru2 -","- C400 H360 Cl8 F96 N80 O24 P16 Ru16 -","8","1","","Roeser, Stephan; Bozoglian, Fernando; Richmond, Craig J.; League, Aaron B.; Ertem, Mehmed Z.; Francàs, Laia; Miró, Pere; Benet-Buchholz, Jordi; Cramer, Christopher J.; Llobet, Antoni","Water oxidation catalysis with ligand substituted Ru‒bpp type complexes","Catal. Sci. Technol.","2016","6","13","5088","","10.1039/C6CY00197A","","","0.71073","MoKα","","0.1151","0.0619","","","0.1498","0.1812","","","","","","1.029","","","","has coordinates,has disorder","185086","2020-10-21","18:00:00",""
"1542765","15.1819","0.0015","26.556","0.002","15.5336","0.0019","90","","112.382","0.004","90","","5790.9","1","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C50.5 H43.25 Cl2 N13.75 O10 Ru2 -","- C50.5 H43.25 Cl2 N13.75 O10 Ru2 -","- C202 H173 Cl8 N55 O40 Ru8 -","4","1","","Roeser, Stephan; Bozoglian, Fernando; Richmond, Craig J.; League, Aaron B.; Ertem, Mehmed Z.; Francàs, Laia; Miró, Pere; Benet-Buchholz, Jordi; Cramer, Christopher J.; Llobet, Antoni","Water oxidation catalysis with ligand substituted Ru‒bpp type complexes","Catal. Sci. Technol.","2016","6","13","5088","","10.1039/C6CY00197A","","","0.71073","MoKα","","0.1422","0.0942","","","0.2548","0.2835","","","","","","1.072","","","","has coordinates,has disorder","185086","2020-10-21","18:00:00",""
"1542766","17.501","0.0019","5.6716","0.0006","12.6807","0.0014","90","","104.641","0.003","90","","1217.8","0.2","273","2","273.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H15 N O S -","- C14 H15 N O S -","- C56 H60 N4 O4 S4 -","4","1","","Gu, Zheng-Yang; Cao, Jia-Jia; Wang, Shun-Yi; Ji, Shun-Jun","The involvement of the trisulfur radical anion in electron-catalyzed sulfur insertion reactions: facile synthesis of benzothiazine derivatives under transition metal-free conditions","Chem. Sci.","2016","7","7","4067","","10.1039/C6SC00240D","","","0.71073","Mo","","0.0618","0.0467","","","0.1396","0.1504","","","","","","1.065","","","","has coordinates","185119","2020-10-21","18:00:00",""
"1542767","16.17","0.002","15.723","0.002","22.381","0.003","90","","98.896","0.002","90","","5621.7","1.3","293","2","293","2","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C45 H56 Cl4 Cs2 N20 O13 Zn -","- C45 H50 Cl4 Cs2 N20 O13 Zn -","- C180 H200 Cl16 Cs8 N80 O52 Zn4 -","4","1","","Wei, Lian Tong; Zhang, Yun Qian; Zhou, Kai Zhi; Zhan, Lin Ling; Qu, Yun Xia; Tao, Zhu; Ma, Pei Hua","Coordination of fully substituted cyclopentano cucurbit[5]uril with alkali cation in the presence of tetrachloridezicate anion","Inorganica Chimica Acta","2016","445","","1","7","10.1016/j.ica.2016.01.041","","","0.71073","MoKα","","0.0321","0.0294","","","0.0748","0.0781","","","","","","1.069","","","","has coordinates","178171","2020-10-21","18:00:00",""
"1542768","11.478","0.003","15.141","0.004","34.706","0.008","90","","90","","90","","6032","3","293","2","293","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C45 H77 Cl5 K2 N20 O23 Zn -","- C45 H50 Cl5 K2 N20 O12 Zn -","- C180 H200 Cl20 K8 N80 O48 Zn4 -","4","1","","Wei, Lian Tong; Zhang, Yun Qian; Zhou, Kai Zhi; Zhan, Lin Ling; Qu, Yun Xia; Tao, Zhu; Ma, Pei Hua","Coordination of fully substituted cyclopentano cucurbit[5]uril with alkali cation in the presence of tetrachloridezicate anion","Inorganica Chimica Acta","2016","445","","1","7","10.1016/j.ica.2016.01.041","","","0.71073","MoKα","","0.1055","0.0708","","","0.1745","0.1946","","","","","","0.966","","","","has coordinates","178172","2020-10-21","18:00:00",""
"1542769","11.522","0.0016","15.252","0.002","35.056","0.005","90","","90","","90","","6160.5","1.5","293","2","293","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C45 H75 Cl5 N20 Na2 O22 Zn -","- C45 H50 Cl5 N20 Na2 O12 Zn -","- C180 H200 Cl20 N80 Na8 O48 Zn4 -","4","1","","Wei, Lian Tong; Zhang, Yun Qian; Zhou, Kai Zhi; Zhan, Lin Ling; Qu, Yun Xia; Tao, Zhu; Ma, Pei Hua","Coordination of fully substituted cyclopentano cucurbit[5]uril with alkali cation in the presence of tetrachloridezicate anion","Inorganica Chimica Acta","2016","445","","1","7","10.1016/j.ica.2016.01.041","","","0.71073","MoKα","","0.0729","0.0566","","","0.1547","0.1632","","","","","","1.051","","","","has coordinates","178173","2020-10-21","18:00:00",""
"1542770","16.032","0.003","15.689","0.003","22.294","0.004","90","","99.974","0.002","90","","5522.8","1.8","293","2","293","2","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C45 H56 Cl4 N20 O13 Rb2 Zn -","- C45 H50 Cl4 N20 O13 Rb2 Zn -","- C180 H200 Cl16 N80 O52 Rb8 Zn4 -","4","1","","Wei, Lian Tong; Zhang, Yun Qian; Zhou, Kai Zhi; Zhan, Lin Ling; Qu, Yun Xia; Tao, Zhu; Ma, Pei Hua","Coordination of fully substituted cyclopentano cucurbit[5]uril with alkali cation in the presence of tetrachloridezicate anion","Inorganica Chimica Acta","2016","445","","1","7","10.1016/j.ica.2016.01.041","","","0.71073","MoKα","","0.0565","0.0432","","","0.1079","0.1158","","","","","","1.075","","","","has coordinates,has disorder","178174","2020-10-21","18:00:00",""
"1542862","8.8284","0.0018","10.076","0.002","14.925","0.003","76.39","0.03","78.81","0.03","66.84","0.03","1178.7","0.5","150","","150","","","","","","","","synthesis as described","6","P 1","P 1","1","","","","- C19 H20 Cl2 Cu N4 O9 -","- C19 H20 Cl2 Cu N4 O9 -","- C38 H40 Cl4 Cu2 N8 O18 -","2","2","","Hallett, Andrew J.; O'Brien, Thomas M.; Carter, Emma; Kariuki, Benson M.; Murphy, Damien M.; Ward, Benjamin D.","Copper(II) complexes of pyridine-oxazoline (Pyox) ligands: Coordination chemistry, ligand stability, and catalysis","Inorganica Chimica Acta","2016","441","","86","94","10.1016/j.ica.2015.10.032","","","0.71073","MoKα","","0.0669","0.0578","","0.1464","0.1376","0.1464","","","","","","0.9905","","","","has coordinates","188564","2020-10-21","18:00:00",""
"1542863","8.5615","0.0017","10.268","0.002","12.907","0.003","101.62","0.03","100.94","0.03","98.19","0.03","1071.8","0.4","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C18 H14 Cl Cu2 N3 O11 -","- C18 H14 Cl Cu2 N3 O11 -","- C36 H28 Cl2 Cu4 N6 O22 -","2","1","","Hallett, Andrew J.; O'Brien, Thomas M.; Carter, Emma; Kariuki, Benson M.; Murphy, Damien M.; Ward, Benjamin D.","Copper(II) complexes of pyridine-oxazoline (Pyox) ligands: Coordination chemistry, ligand stability, and catalysis","Inorganica Chimica Acta","2016","441","","86","94","10.1016/j.ica.2015.10.032","","","0.71073","MoKα","","0.1217","0.0716","","","0.1672","0.2111","","","","","","0.992","","","","has coordinates","178189","2020-10-21","18:00:00",""
"1542876","15.0004","0.0004","7.9035","0.0003","16.888","0.0006","90","","101.057","0.001","90","","1965","0.12","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","5-Chloro-1-(prop-2-ynyl)indoline-2,3-dione","","- C11 H6 Cl N O2 -","- C11 H6 Cl N O2 -","- C88 H48 Cl8 N8 O16 -","8","1","SU4018","Bargavi, Srinivasan; Kandhasamy, Subramani; Perumal, Paramasivam T.; Lakshmi, Srinivasakannan","5-Chloro-1-(prop-2-ynyl)indoline-2,3-dione","IUCrData","2016","1","3","x160397","","10.1107/S2414314616003977","","","0.71073","MoKα","","0.0442","0.0342","","","0.0841","0.0924","","","","","","1.062","","","","has coordinates,has Fobs","178203","2020-10-21","18:00:00",""
"1542877","10.216","0.003","8.507","0.002","11.445","0.004","90","","101.807","0.017","90","","973.6","0.5","110","","110","","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","Tetramethylammonium trifluoromethanesulfonate","","- C5 H12 F3 N O3 S -","- C5 H12 F3 N O3 S -","- C20 H48 F12 N4 O12 S4 -","4","1","ZQ4003","Bourque, Jeremy L.; Baines, Kim M.","Tetramethylammonium trifluoromethanesulfonate","IUCrData","2016","1","3","x160370","","10.1107/S2414314616003709","","","0.71073","MoKα","","0.0581","0.0395","","","0.0988","0.1057","","","","","","1.059","","","","has coordinates,has Fobs","178204","2020-10-21","18:00:00",""
"1542878","18.7962","0.0011","18.7962","0.0011","36.666","0.002","90","","90","","120","","11218.5","1.1","100","2","100","2","","","","","","","","5","R -3","-R 3","148","","Tris(<i>N</i>,<i>N</i>,<i>N</i>',<i>N</i>',<i>N</i>'',<i>N</i>''-hexaethylguanidinium) dodecaiodidotribismuthate(III)","","- C39 H90 Bi3 I12 N9 -","- C39 H90 Bi3 I12 N9 -","- C234 H540 Bi18 I72 N54 -","6","","PK4002","Tiritiris, Ioannis; Knobloch, Georg; Saur, Stefan; Kantlehner, Willi","Tris(<i>N</i>,<i>N</i>,<i>N</i>',<i>N</i>',<i>N</i>'',<i>N</i>''-hexaethylguanidinium) dodecaiodidotribismuthate(III)","IUCrData","2016","1","3","x160391","","10.1107/S2414314616003916","","","0.71073","MoKα","","0.0417","0.0236","","","0.0383","0.0417","","","","","","1.052","","","","has coordinates,has Fobs","178205","2020-10-21","18:00:00",""
"1542879","4.5284","0.0002","13.2044","0.0006","25.9133","0.0011","96.663","0.003","90.728","0.003","95.393","0.003","1531.77","0.12","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","5-Bromo-1-octylindoline-2,3-dione","","- C16 H20 Br N O2 -","- C16 H20 Br N O2 -","- C64 H80 Br4 N4 O8 -","4","2","","Kharbach, Yassine; Kandri Rodi, Youssef; Capet, Frédéric; Essassi, El Mokhtar; El Ammari, Lahcen","5-Bromo-1-octylindoline-2,3-dione","IUCrData","2016","1","3","x160371","","10.1107/S2414314616003710","","","0.71073","MoKα","","0.0461","0.0315","","","0.0669","0.0701","","","","","","1.216","","","","has coordinates,has Fobs","178206","2020-10-21","18:00:00",""
"1542880","4.0896","0.0003","13.2139","0.001","15.1946","0.0011","90","","92.325","0.004","90","","820.43","0.1","296","2","295.85","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","7-Iodoisatin","7-Iodo-1<i>H</i>-indole-2,3-dione","","- C8 H4 I N O2 -","- C8 H4 I N O2 -","- C32 H16 I4 N4 O8 -","4","1","FF4004","Golen, James A.; Manke, David R.","7-Iodo-1<i>H</i>-indole-2,3-dione","IUCrData","2016","1","3","x160412","","10.1107/S2414314616004120","","","1.54178","CuKα","","0.0398","0.0336","","","0.0734","0.0763","","","","","","1.123","","","","has coordinates,has Fobs","178207","2020-10-21","18:00:00",""
"1542881","3.9283","0.0004","5.9578","0.0006","15.1246","0.0014","92.925","0.003","90.62","0.004","94.71","0.004","352.28","0.06","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","4-Bromo-2-hydroxybenzoic acid","","- C7 H5 Br O3 -","- C7 H5 Br O3 -","- C14 H10 Br2 O6 -","2","1","HB4022","Suchetan, P. A.; Suneetha, V.; Naveen, S.; Lokanath, N. K.; Krishna Murthy, P.","4-Bromo-2-hydroxybenzoic acid","IUCrData","2016","1","3","x160325","","10.1107/S2414314616003254","","","1.54178","CuKα","","0.033","0.0324","","","0.0806","0.0811","","","","","","1.087","","","","has coordinates,has Fobs","178208","2020-10-21","18:00:00",""
"1542882","8.1735","0.0007","12.9313","0.0009","8.73","0.0008","90","","105.803","0.009","90","","887.83","0.13","293","","293","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","2,4,6-trimethylbenzene-1,3-diamine","2,4,6-Trimethylbenzene-1,3-diamine","","- C9 H14 N2 -","- C9 H14 N2 -","- C36 H56 N8 -","4","1","HB4017","Brihi, Ouarda; Hamdouni, Noudjoud; Boulcina, Raouf; Medjani, Meriem; Meinnel, Jean; Boudjada, Ali","Diaminomesitylene","IUCrData","2016","1","3","x160351","","10.1107/S2414314616003515","","","0.71073","MoKα","","0.09","0.0488","","0.162","0.1087","0.1029","","","","","","0.879","","","","has coordinates,has Fobs","178209","2020-10-21","18:00:00",""
"1542883","23.077","0.011","18.798","0.009","11.169","0.006","90","","98.744","0.007","90","","4789","4","173","","173","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Bis[2,6-bis(trimethylsilylamino)pyridine-κ<i>N</i>^1^]{[6-bis(trimethylsilylamino)pyridin-2-yl-κ<i>N</i>^1^](trimethylsilyl)azanido-κ<i>N</i>}lithium","","- C33 H68 Li N9 Si6 -","- C33 H68 Li N9 Si6 -","- C132 H272 Li4 N36 Si24 -","4","1","BH4002","Rave, Justin A.; Garcia, Diego A.; Hillesheim, Patrick C.; Guillet, Gary L.","Bis[2,6-bis(trimethylsilylamino)pyridine-κ<i>N</i>^1^]{[6-bis(trimethylsilylamino)pyridin-2-yl-κ<i>N</i>^1^](trimethylsilyl)azanido-κ<i>N</i>}lithium","IUCrData","2016","1","3","x160338","","10.1107/S2414314616003382","","","0.71073","MoKα","","0.1312","0.0681","","","0.1345","0.1745","","","","","","1.03","","","","has coordinates,has Fobs","178210","2020-10-21","18:00:00",""
"1542884","6.517","0.0012","19.393","0.003","8.5991","0.0016","90","","102.287","0.005","90","","1061.9","0.3","110","","110","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(<i>tert</i>-Butyl isocyanide-κ<i>C</i>)trichloridogallium(III)","","- C5 H9 Cl3 Ga N -","- C5 H9 Cl3 Ga N -","- C20 H36 Cl12 Ga4 N4 -","4","1","WM4009","Bourque, Jeremy L.; Tashkandi, Nada Y.; Baines, Kim M.","(<i>tert</i>-Butyl isocyanide-κ<i>C</i>)trichloridogallium(III)","IUCrData","2016","1","3","x160389","","10.1107/S2414314616003898","","","1.54178","CuKα","","0.0223","0.0211","","","0.0536","0.0545","","","","","","1.108","","","","has coordinates,has Fobs","178211","2020-10-21","18:00:00",""
"1542885","31.27","0.002","5.672","0.0004","7.8812","0.0005","90","","99.271","0.003","90","","1379.58","0.16","296","2","296","2","","","","","","","","3","C 1 c 1","C -2yc","9","","4-Benzyloxy-1,1'-biphenyl","","- C19 H16 O -","- C19 H16 O -","- C76 H64 O4 -","4","1","","Adam, Farook; Ameram, Nadiah; Kamath, Shevgoor Dhiraj; Pallavi; Samshuddin, Seranthimata","4-Benzyloxy-1,1'-biphenyl","IUCrData","2016","1","3","x160398","","10.1107/S2414314616003989","","","0.71073","MoKα","","0.0389","0.0339","","","0.0965","0.104","","","","","","0.867","","","","has coordinates,has Fobs","178212","2020-10-21","18:00:00",""
"1542886","11.39","0.002","10.9935","0.0018","12.5613","0.0019","90","","113.79","0.009","90","","1439.2","0.4","200","2","200","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","4-Methylcyclohexyl <i>p</i>-toluenesulfonate","4-Methylcyclohexyl 4-methylbenzenesulfonate","","- C14 H20 O3 S -","- C14 H20 O3 S -","- C56 H80 O12 S4 -","4","1","VM4007","Paquin, Cyrenus T.; Boerth, Donald W.; Golen, James A.; Manke, David R.","4-Methylcyclohexyl <i>p</i>-toluenesulfonate","IUCrData","2016","1","3","x160390","","10.1107/S2414314616003904","","","1.54178","CuKα","","0.0733","0.0494","","","0.1333","0.1505","","","","","","1.092","","","","has coordinates,has Fobs","178213","2020-10-21","18:00:00",""
"1542887","14.6122","0.0015","8.3882","0.0009","20.911","0.002","90","","90","","90","","2563.1","0.5","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","1-Benzyl-5-methylindoline-2,3-dione","","- C16 H13 N O2 -","- C16 H13 N O2 -","- C128 H104 N8 O16 -","8","1","","Sharmila, N.; Sundar, T. V.; Satish, G.; Venkatesan, P.","1-Benzyl-5-methylindoline-2,3-dione","IUCrData","2016","1","3","x160381","","10.1107/S2414314616003813","","","0.71073","MoKα","","0.1172","0.0566","","","0.1275","0.1638","","","","","","1.052","","","","has coordinates,has Fobs","178214","2020-10-21","18:00:00",""
"1542888","19.4893","0.0016","19.4893","0.0016","21.1331","0.0018","90","","90","","90","","8027","1.2","296","2","296.15","","","","","","","","","6","I -4","I -4","82","","","","- C31 H34 N2 O4 P2 Ru -","- C31 H34 N2 O4 P2 Ru -","- C248 H272 N16 O32 P16 Ru8 -","8","1","","Tan, Xuefeng; Wang, Guozhen; Zhu, Ziyue; Ren, Conghui; Zhou, Jinping; Lv, Hui; Zhang, Xiaoyong; Chung, Lung Wa; Zhang, Lina; Zhang, Xumu","Hydrogenation of Aldehydes Catalyzed by an Available Ruthenium Complex.","Organic letters","2016","18","7","1518","1521","10.1021/acs.orglett.6b00060","","","0.71073","MoKα","","0.0595","0.039","","","0.0843","0.0926","","","","","","1.007","","","","has coordinates,has disorder","181443","2020-10-21","18:00:00",""
"1542889","6.2663","0.001","14.1771","0.0019","16.226","0.003","90","","97.633","0.004","90","","1428.7","0.4","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C14 H18 O6 -","- C14 H18 O6 -","- C56 H72 O24 -","4","1","","Cao, Tao; Ma, Shengming","Highly Stereo- and Regioselective Hydrocarboxylation of Diynes with Carbon Dioxide.","Organic letters","2016","18","7","1510","1513","10.1021/acs.orglett.6b00028","","","0.71073","MoKα","","0.1064","0.0586","","","0.1381","0.1629","","","","","","1.014","","","","has coordinates,has disorder","181446","2020-10-21","18:00:00",""
"1542890","7.9442","0.0011","9.3857","0.0012","10.6485","0.0015","68.342","0.003","77.473","0.003","84.276","0.003","720.18","0.17","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- C14 H18 O6 -","- C14 H18 O6 -","- C28 H36 O12 -","2","1","","Cao, Tao; Ma, Shengming","Highly Stereo- and Regioselective Hydrocarboxylation of Diynes with Carbon Dioxide.","Organic letters","2016","18","7","1510","1513","10.1021/acs.orglett.6b00028","","","0.71073","MoKα","","0.064","0.0518","","","0.1436","0.1558","","","","","","1.025","","","","has coordinates","181446","2020-10-21","18:00:00",""
"1542891","9.556","0.009","10.061","0.01","10.958","0.01","73.61","0.02","65.525","0.016","68.71","0.02","882.6","1.5","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C23 H18 N2 O -","- C23 H18 N2 O -","- C46 H36 N4 O2 -","2","1","","Zhang, Jingjing; Gao, Qinghe; Wu, Xia; Geng, Xiao; Wu, Yan-Dong; Wu, Anxin","Dual Roles of Methyl Ketones in Radziszewski-Type Reaction: Formal [2 + 1 + 1 + 1] Synthesis of 1,2,5-Trisubstituted Imidazoles.","Organic letters","2016","18","7","1686","1689","10.1021/acs.orglett.6b00607","","","0.71073","MoKα","","0.0436","0.0385","","","0.1274","0.1424","","","","","","1.102","","","","has coordinates","181448","2020-10-21","18:00:00",""
"1542892","10.3027","0.0004","14.2644","0.0006","18.1624","0.0007","90","","90","","90","","2669.18","0.18","125","2","125","2","","","","","","","","7","P b c n","-P 2n 2ab","60","","[Fe(5-Br-salEen)2]ClO4","","- C22 H28 Br2 Cl Fe N4 O6 -","- C22 H28 Br2 Cl Fe N4 O6 -","- C88 H112 Br8 Cl4 Fe4 N16 O24 -","4","0.5","","Vicente, Ana I.; Joseph, Abhinav; Ferreira, Liliana P.; de Deus Carvalho, Maria; Rodrigues, Vítor H. N.; Duttine, Mathieu; Diogo, Hermínio P.; Minas da Piedade, Manuel E.; Calhorda, Maria José; Martinho, Paulo N.","Dynamic spin interchange in a tridentate Fe(iii) Schiff-base compound","Chem. Sci.","2016","7","7","4251","","10.1039/C5SC04577K","","","0.71073","MoKα","","0.0309","0.0231","","","0.0575","0.061","","","","","","1.044","","","","has coordinates","185111","2020-10-21","18:00:00",""
"1542893","11.931","0.003","12.17","0.003","19.166","0.005","90","","90","","90","","2782.9","1.2","297","2","297","2","","","","","","","","7","P b c n","-P 2n 2ab","60","","","","- C22 H28 Br2 Cl Fe N4 O6 -","- C22 H28 Br2 Cl Fe N4 O6 -","- C88 H112 Br8 Cl4 Fe4 N16 O24 -","4","0.5","","Vicente, Ana I.; Joseph, Abhinav; Ferreira, Liliana P.; de Deus Carvalho, Maria; Rodrigues, Vítor H. N.; Duttine, Mathieu; Diogo, Hermínio P.; Minas da Piedade, Manuel E.; Calhorda, Maria José; Martinho, Paulo N.","Dynamic spin interchange in a tridentate Fe(iii) Schiff-base compound","Chem. Sci.","2016","7","7","4251","","10.1039/C5SC04577K","","","0.71073","MoKα","","0.1583","0.1001","","","0.2984","0.3515","","","","","","1.098","","","","has coordinates","185111","2020-10-21","18:00:00",""
"1542894","15.8239","0.0008","19.3822","0.001","7.8312","0.0004","90","","90","","90","","2401.8","0.2","100","2","100","2","","","","","","","","4","P n m a","-P 2ac 2n","62","YR1","","","- C17 H10.5 N P0.5 -","- C17 H10.5 N P0.5 -","- C136 H84 N8 P4 -","8","1","","Ren, Yi; Sezen, Melda; Guo, Fang; Jäkle, Frieder; Loo, Yueh-Lin","[d]-Carbon‒carbon double bond engineering in diazaphosphepines: a pathway to modulate the chemical and electronic structures of heteropines","Chem. Sci.","2016","7","7","4211","","10.1039/C6SC00519E","","","0.71073","","","0.0656","0.0495","","","0.1197","0.1312","","","","","","0.912","","","","has coordinates,has disorder","185117","2020-10-21","18:00:00",""
"1542895","11.925","0.005","12.375","0.006","18.662","0.009","87.764","0.014","76.46","0.009","83.562","0.01","2660","2","100","2","100","2","","","","","","","","6","P -1","-P 1","2","YR5","","","- C34.5 H21.5 Cl1.5 N2 O P -","- C34.5 H21.5 Cl1.5 N2 O P -","- C138 H86 Cl6 N8 O4 P4 -","4","2","","Ren, Yi; Sezen, Melda; Guo, Fang; Jäkle, Frieder; Loo, Yueh-Lin","[d]-Carbon‒carbon double bond engineering in diazaphosphepines: a pathway to modulate the chemical and electronic structures of heteropines","Chem. Sci.","2016","7","7","4211","","10.1039/C6SC00519E","","","0.71073","MoKα","","0.0603","0.0431","","","0.1143","0.1286","","","","","","1.036","","","","has coordinates,has disorder","185117","2020-10-21","18:00:00",""
"1542896","17.008","0.008","32.243","0.012","7.688","0.003","90","","90","","90","","4216","3","100","2","100","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","YR4","","","- C28 H17 N4 P S -","- C28 H17 N4 P S -","- C224 H136 N32 P8 S8 -","8","1","","Ren, Yi; Sezen, Melda; Guo, Fang; Jäkle, Frieder; Loo, Yueh-Lin","[d]-Carbon‒carbon double bond engineering in diazaphosphepines: a pathway to modulate the chemical and electronic structures of heteropines","Chem. Sci.","2016","7","7","4211","","10.1039/C6SC00519E","","","0.71073","","","0.0438","0.0371","","","0.0975","0.1021","","","","","","1.06","","","","has coordinates","185117","2020-10-21","18:00:00",""
"1542897","8.5379","0.0004","12.3661","0.0006","20.2417","0.001","90","","99.918","0.001","90","","2105.19","0.18","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","YR3","","","- C28 H19 N2 P -","- C28 H19 N2 P -","- C112 H76 N8 P4 -","4","1","","Ren, Yi; Sezen, Melda; Guo, Fang; Jäkle, Frieder; Loo, Yueh-Lin","[d]-Carbon‒carbon double bond engineering in diazaphosphepines: a pathway to modulate the chemical and electronic structures of heteropines","Chem. Sci.","2016","7","7","4211","","10.1039/C6SC00519E","","","1.54178","CuKα","","0.0358","0.0342","","","0.0942","0.1","","","","","","1.078","","","","has coordinates","185117","2020-10-21","18:00:00",""
"1542898","10.2381","0.0006","13.0126","0.0008","17.4162","0.0011","89.311","0.002","88.175","0.002","67.825","0.001","2147.6","0.2","100","2","100","2","","","","","","","","5","P -1","-P 1","2","YR6","","","- C27 H18 N3 O3 P -","- C27 H18 N3 O3 P -","- C108 H72 N12 O12 P4 -","4","2","","Ren, Yi; Sezen, Melda; Guo, Fang; Jäkle, Frieder; Loo, Yueh-Lin","[d]-Carbon‒carbon double bond engineering in diazaphosphepines: a pathway to modulate the chemical and electronic structures of heteropines","Chem. Sci.","2016","7","7","4211","","10.1039/C6SC00519E","","","0.71073","MoKα","","0.043","0.0359","","","0.0979","0.1036","","","","","","1.043","","","","has coordinates","214153","2020-10-21","18:00:00",""
"1542899","8.1828","0.0002","12.1541","0.0003","12.3654","0.0003","114.474","0.001","93.681","0.001","96.949","0.001","1102.14","0.05","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","2-{[5-(4-Chlorophenoxymethyl)-4-phenyl-4<i>H</i>-1,2,4-triazol-3-yl]sulfanyl}-<i>N</i>-(4-nitrophenyl)acetamide","","- C23 H18 Cl N5 O4 S -","- C23 H18 Cl N5 O4 S -","- C46 H36 Cl2 N10 O8 S2 -","2","1","IS4005","Mague, Joel T.; Mohamed, Shaaban K.; Akkurt, Mehmet; Ahmed, Gamal A.-W.; Bakhite, Etify A.; Albayati, Mustafa R.","2-{[5-(4-Chlorophenoxymethyl)-4-phenyl-4<i>H</i>-1,2,4-triazol-3-yl]sulfanyl}-<i>N</i>-(4-nitrophenyl)acetamide","IUCrData","2016","1","3","x160452","","10.1107/S2414314616004521","","","1.54178","CuKα","","0.0377","0.0343","","","0.0862","0.0889","","","","","","1.044","","","","has coordinates,has Fobs","178346","2020-10-21","18:00:00",""
"1542900","9.8022","0.0006","14.9047","0.0009","12.643","0.0007","90","","90","","90","","1847.13","0.19","173","2","173.15","","","","","","","","","3","P c a 21","P 2c -2ac","29","2-(naphthalen-1-yl)ethanol","2-(Naphthalen-1-yl)ethanol","","- C12 H12 O -","- C12 H12 O -","- C96 H96 O8 -","8","2","HB4026","Garozzo, Lee Ann; Nazarenko, Alexander Y.","2-(Naphthalen-1-yl)ethanol","IUCrData","2016","1","3","x160423","","10.1107/S2414314616004235","","","1.54178","CuKα","","0.0286","0.0282","","","0.0732","0.0735","","","","","","1.038","","","","has coordinates,has Fobs","178349","2020-10-21","18:00:00",""
"1542901","11.7678","0.0007","13.0072","0.0007","9.9025","0.0006","90","","112.371","0.002","90","","1401.66","0.14","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(<i>E</i>)-4-Methoxy-<i>N</i>'-(4-methylbenzylidene)benzohydrazide","","- C16 H16 N2 O2 -","- C16 H16 N2 O2 -","- C64 H64 N8 O8 -","4","1","SU4020","Maheswari, R.; Manjula, J.; Gunasekaran, B.","(<i>E</i>)-4-Methoxy-<i>N</i>'-(4-methylbenzylidene)benzohydrazide","IUCrData","2016","1","3","x160431","","10.1107/S2414314616004314","","","0.71073","MoKα","","0.0546","0.0421","","","0.1231","0.1362","","","","","","0.998","","","","has coordinates,has Fobs","178350","2020-10-21","18:00:00",""
"1542902","16.1115","0.0019","7.704","0.0009","23.873","0.003","90","","90","","90","","2963.2","0.6","293","2","293","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","4-(4-Methoxyphenyl)-5,7-dimethylchroman-2-one","","- C18 H18 O3 -","- C18 H18 O3 -","- C144 H144 O24 -","8","1","SU4021","Queiroz, Jaqueline Evangelista; Vila Verde, Giuliana Muniz; Pereira, Mariette Miguens; Ramos Silva, Manuela; Aquino, Gilberto L. B.","4-(4-Methoxyphenyl)-5,7-dimethylchroman-2-one","IUCrData","2016","1","3","x160430","","10.1107/S2414314616004302","","","0.71073","MoKα","","0.0984","0.0501","","","0.1257","0.1547","","","","","","0.974","","","","has coordinates,has Fobs","178351","2020-10-21","18:00:00",""
"1542903","17.377","0.001","18.889","0.008","19.705","0.006","94.766","0.002","90.035","0.003","104.681","0.002","6233","3","223","2","223","2","","","","","","","","7","P -1","-P 1","2","","Hexakis(dimethyl sulfoxide-κ<i>O</i>)zinc(II) <i>mer</i>-aquatris(dimethyl sulfoxide-κ<i>O</i>)(ethanol-κ<i>O</i>)[octadecatungstodiphosphato(V)-κ<i>O</i>]zincate(II)‒dimethyl sulfoxide‒ethanol‒water (2/4/2/3)","","- C38 H119 O83.5 P2 S17 W18 Zn3 -","- C38 H119 O83.5 P2 S17 W18 Zn3 -","- C76 H238 O167 P4 S34 W36 Zn6 -","2","1","XU4002","Hammami, Imen; Ghandour, Yassine; Belkhiria, Mohamed Salah","Hexakis(dimethyl sulfoxide-κ<i>O</i>)zinc <i>mer</i>-aquatris(dimethyl sulfoxide-κ<i>O</i>)(ethanol-κ<i>O</i>)[octadecatungstodiphosphato(V)-κ<i>O</i>]zincate(II)‒dimethyl sulfoxide‒ethanol‒water (2/4/2/3)","IUCrData","2016","1","3","x160406","","10.1107/S2414314616004065","","","0.71073","MoKα","","0.0798","0.0506","","","0.119","0.1311","","","","","","0.976","","","","has coordinates,has disorder,has Fobs","178352","2020-10-21","18:00:00",""
"1542904","8.0327","0.0002","9.3726","0.0002","16.1657","0.0003","77.401","0.0013","85.464","0.0014","69.356","0.0014","1111.49","0.04","93","2","93","2","","","","","","","","4","P -1","-P 1","2","","","","- C24 H37 N O6 -","- C24 H37 N O6 -","- C48 H74 N2 O12 -","2","1","","Hagiwara, Koichi; Tabuchi, Toshiki; Urabe, Daisuke; Inoue, Masayuki","Expeditious synthesis of the fused hexacycle of puberuline C via a radical-based cyclization/translocation/cyclization process","Chem. Sci.","2016","7","7","4372","","10.1039/C6SC00671J","","","1.54178","","","0.0539","0.0452","","","0.1257","0.131","","","","","","1.278","","","","has coordinates,has disorder","185106","2020-10-21","18:00:00",""
"1542905","11.5247","0.0006","12.6097","0.0006","18.36","0.001","90","","90","","90","","2668.1","0.2","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C27 H44 O7 -","- C27 H44 O7 -","- C108 H176 O28 -","4","1","","Liu, Hui; Li, Xiao-Ming; Liu, Yang; Zhang, Peng; Wang, Jia-Ning; Wang, Bin-Gui","Chermesins A-D: Meroterpenoids with a Drimane-Type Spirosesquiterpene Skeleton from the Marine Algal-Derived Endophytic Fungus Penicillium chermesinum EN-480.","Journal of natural products","2016","79","4","806","811","10.1021/acs.jnatprod.5b00893","","","1.54178","CuKα","","0.0742","0.0534","","","0.1171","0.1312","","","","","","1.018","","","","has coordinates","183584","2020-10-21","18:00:00",""
"1542906","8.4475","0.0007","10.3954","0.0009","24.175","0.002","90","","90","","90","","2122.9","0.3","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C24 H34 O3 -","- C24 H34 O3 -","- C96 H136 O12 -","4","1","","Liu, Hui; Li, Xiao-Ming; Liu, Yang; Zhang, Peng; Wang, Jia-Ning; Wang, Bin-Gui","Chermesins A-D: Meroterpenoids with a Drimane-Type Spirosesquiterpene Skeleton from the Marine Algal-Derived Endophytic Fungus Penicillium chermesinum EN-480.","Journal of natural products","2016","79","4","806","811","10.1021/acs.jnatprod.5b00893","","","1.54178","CuKα","","0.1024","0.0589","","","0.1085","0.1332","","","","","","1.009","","","","has coordinates","183584","2020-10-21","18:00:00",""
"1542907","8.6259","0.0005","9.3446","0.0005","27.3784","0.0014","90","","90","","90","","2206.9","0.2","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C24 H36 O3 -","- C24 H36 O3 -","- C96 H144 O12 -","4","1","","Liu, Hui; Li, Xiao-Ming; Liu, Yang; Zhang, Peng; Wang, Jia-Ning; Wang, Bin-Gui","Chermesins A-D: Meroterpenoids with a Drimane-Type Spirosesquiterpene Skeleton from the Marine Algal-Derived Endophytic Fungus Penicillium chermesinum EN-480.","Journal of natural products","2016","79","4","806","811","10.1021/acs.jnatprod.5b00893","","","1.54178","CuKα","","0.0599","0.0476","","","0.1144","0.123","","","","","","1.048","","","","has coordinates","183584","2020-10-21","18:00:00",""
"1542908","8.0099","0.0005","8.5188","0.0004","35.9835","0.0018","90","","90","","90","","2455.3","0.2","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C26 H38 O6 -","- C26 H38 O6 -","- C104 H152 O24 -","4","1","","Liu, Hui; Li, Xiao-Ming; Liu, Yang; Zhang, Peng; Wang, Jia-Ning; Wang, Bin-Gui","Chermesins A-D: Meroterpenoids with a Drimane-Type Spirosesquiterpene Skeleton from the Marine Algal-Derived Endophytic Fungus Penicillium chermesinum EN-480.","Journal of natural products","2016","79","4","806","811","10.1021/acs.jnatprod.5b00893","","","1.54178","CuKα","","0.0507","0.0448","","","0.1163","0.1211","","","","","","1.045","","","","has coordinates","183584","2020-10-21","18:00:00",""
"1542909","6.088","0.0007","12.5452","0.0013","23.207","0.002","90","","90","","90","","1772.4","0.3","200","2","200","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C17 H19 N3 O2 S3 -","- C17 H19 N3 O2 S3 -","- C68 H76 N12 O8 S12 -","4","1","","Igarashi, Yasuhiro; Asano, Daisuke; Sawamura, Masashi; In, Yasuko; Ishida, Toshimasa; Imoto, Masaya","Ulbactins F and G, Polycyclic Thiazoline Derivatives with Tumor Cell Migration Inhibitory Activity from Brevibacillus sp.","Organic letters","2016","18","7","1658","1661","10.1021/acs.orglett.6b00531","","","0.71069","MoKα","","0.12","0.0998","","","0.2021","0.2117","","","","","","1.21","","","","has coordinates","181444","2020-10-21","18:00:00",""
"1542910","9.8806","0.0014","10.4876","0.0015","17.144","0.003","90","","90","","90","","1776.5","0.5","220","2","220","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C17 H19 N3 O2 S3 -","- C17 H19 N3 O2 S3 -","- C68 H76 N12 O8 S12 -","4","1","","Igarashi, Yasuhiro; Asano, Daisuke; Sawamura, Masashi; In, Yasuko; Ishida, Toshimasa; Imoto, Masaya","Ulbactins F and G, Polycyclic Thiazoline Derivatives with Tumor Cell Migration Inhibitory Activity from Brevibacillus sp.","Organic letters","2016","18","7","1658","1661","10.1021/acs.orglett.6b00531","","","0.71073","MoKα","","0.035","0.0332","","","0.084","0.0861","","","","","","1.094","","","","has coordinates","181444","2020-10-21","18:00:00",""
"1542911","8.914","0.0008","10.559","0.0007","10.6874","0.0007","82.779","0.006","72.066","0.007","70.261","0.007","900.55","0.13","100","2","100","2","","","","","","","","4","P 1","P 1","1","","","","- C21 H17 N O7 -","- C21 H17 N O7 -","- C42 H34 N2 O14 -","2","2","","Osorio-Planes, Laura; Rodríguez-Escrich, Carles; Pericàs, Miquel A.","Removing the superfluous: a supported squaramide catalyst with a minimalistic linker applied to the enantioselective flow synthesis of pyranonaphthoquinones","Catal. Sci. Technol.","2016","6","13","4686","","10.1039/C6CY00473C","","","0.7107","MoKα","","0.0657","0.0522","","","0.1289","0.1363","","","","","","1.004","","","","has coordinates","185082","2020-10-21","18:00:00",""
"1542912","23.023","0.004","23.023","0.004","16.459","0.003","90","","90","","120","","7555","2","100","2","100","2","","","","","","","","7","P -3","-P 3","147","","","","- C111 H81 Br2 F18 N15 O22 Zn5 -","- C111 H81 Br2 F18 N15 O22 Zn5 -","- C222 H162 Br4 F36 N30 O44 Zn10 -","2","0.333333","","Bilbeisi, Rana A.; Prakasam, Thirumurugan; Lusi, Matteo; El Khoury, Roberto; Platas-Iglesias, Carlos; Charbonnière, Loïc J.; Olsen, John-Carl; Elhabiri, Mourad; Trabolsi, Ali","[C‒H⋯anion] interactions mediate the templation and anion binding properties of topologically non-trivial metal‒organic structures in aqueous solutions","Chem. Sci.","2016","7","4","2524","","10.1039/C5SC04246A","","","1.54178","CuKα","","0.1205","0.0933","","","0.2711","0.2957","","","","","","1.067","","","","has coordinates","178854","2020-10-21","18:00:00",""
"1542913","9.94167","0.00014","11.68932","0.00013","15.15921","0.00019","90","","107.862","0.0015","90","","1676.76","0.04","100.01","0.1","100.01","0.1","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","1-phenyl-3 (pyren-1-yl)-1H-pyrazole","","- C25 H16 N2 -","- C25 H16 N2 -","- C100 H64 N8 -","4","1","","Flamholc, Rafał; Zakrzewski, Janusz; Makal, Anna; Brosseau, Arnaud; Métivier, Rémi","Synthesis, regioselective aerobic Pd(ii)-catalyzed C-H bond alkenylation and the photophysical properties of pyrenylphenylpyrazoles.","Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology","2016","15","4","580","588","10.1039/c6pp00009f","","x-ray","0.71073","MoKα","","0.0443","0.0422","","","0.1187","0.1202","","","","","","1.105","","","","has coordinates","182794","2020-10-21","18:00:00",""
"1542914","9.13704","0.0001","8.8076","0.00013","21.4207","0.0002","90","","93.0448","0.001","90","","1721.41","0.04","100.01","0.1","100.01","0.1","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","1-phenyl-5 (pyren-1-yl)-1H-pyrazole","","- C25 H16 N2 -","- C25 H16 N2 -","- C100 H64 N8 -","4","1","","Flamholc, Rafał; Zakrzewski, Janusz; Makal, Anna; Brosseau, Arnaud; Métivier, Rémi","Synthesis, regioselective aerobic Pd(ii)-catalyzed C-H bond alkenylation and the photophysical properties of pyrenylphenylpyrazoles.","Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology","2016","15","4","580","588","10.1039/c6pp00009f","","x-ray","1.54184","CuKα","","0.0427","0.0398","","","0.1147","0.117","","","","","","1.094","","","","has coordinates","182794","2020-10-21","18:00:00",""
"1542917","9.3535","0.0004","13.8812","0.0007","16.9106","0.0008","90","","90","","90","","2195.64","0.18","298","2","298","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","Catena-bis (mu~2~-1,3-diethyl-2-thiobarbiturato-O,O')-diaqua-calcium","","- C16 H26 Ca N4 O6 S2 -","- C16 H26 Ca N4 O6 S2 -","- C64 H104 Ca4 N16 O24 S8 -","4","0.5","","N. Golovnev; M. Molokeev; A. Samoilo; V. Atuchin","Influence of alkyl substituents in 1,3-diethyl-2-thiobarbituric acid on the coordination environment in M(H2O)2(1,3-diethyl-2-thiobarbiturate)2 M = Ca2+, Sr2+","Journal of Coordination Chemistry","2016","69","6","957","965","10.1080/00958972.2016.1149168","","","0.71073","MoKα","","0.0372","0.0295","","","0.081","0.0875","","","","","","1.011","","","","has coordinates,has Fobs","178987","2020-10-21","18:00:00",""
"1542918","9.529","0.0018","14.161","0.003","17.094","0.003","90","","90","","90","","2306.7","0.8","298","2","298","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","Catena-bis (mu~2~-1,3-diethyl-2-thiobarbiturato-O,O')-diaqua-strontium","","- C16 H26 N4 O6 S2 Sr -","- C16 H26 N4 O6 S2 Sr -","- C64 H104 N16 O24 S8 Sr4 -","4","0.5","","N. Golovnev; M. Molokeev; A. Samoilo; V. Atuchin","Influence of alkyl substituents in 1,3-diethyl-2-thiobarbituric acid on the coordination environment in M(H2O)2(1,3-diethyl-2-thiobarbiturate)2 M = Ca2+, Sr2+","Journal of Coordination Chemistry","2016","69","6","957","965","10.1080/00958972.2016.1149168","","","0.71073","MoKα","","0.0663","0.0322","","","0.0711","0.0845","","","","","","0.996","","","","has coordinates,has Fobs","178988","2020-10-21","18:00:00",""
"1542919","7.104645","0.000063","7.104645","0.000063","6.986941","0.000072","90","","90","","120","","305.424","0.005","300","","300","","","","","","","","","5","P 31 2 1","P 31 2""","152","","","","- B3 Ba2.76 Eu0.24 O15 P3 -","- B3 Ba2.76 Eu0.24 O15 P3 -","- B3 Ba2.76 Eu0.24 O15 P3 -","1","0.166667","","Lina Zhang; Minghao Fang; Zhaohui Huang; Yangai Liu; Xin Min; Hao Tang; Kai Chen; Ming Guan; Maxim S. Molokeev","Preparation and Luminescence Properties of the Blue-Emitting Phosphor BaBPO5:Eu2+","Science of Advanced Materials","2016","8","5","1086","1092","10.1166/sam.2016.2704","powder diffraction","x-ray","1.5406","CuKα~1~~2~","","","","","","","","","1.62","1.593","","","","","","","has coordinates,has Fobs","205493","2020-10-21","18:00:00",""
"1542920","9.1757","0.0012","12.3163","0.0016","2.9978","0.0004","90","","90","","90","","338.78","0.08","296","2","296","2","","","","","","","","4","P b a m","-P 2 2ab","55","","","","- B4 Mn5.64 Ni6.36 O20 -","- B4 Mn5.64 Ni6.36 O20 -","- B4 Mn5.64 Ni6.36 O20 -","1","0.125","","Moshkina Evgeniya; Sofronova Svetlana; Veligzhanin Alexey; Molokeev Maxim; Nazarenko Ilya; Eremin Evgeniy; Bezmaternykh Leonard","Magnetism and Structure of Ni2MnBO5 ludwigite","Journal of Magnetism and Magnetic Materials","2016","402","0","69","75","10.1016/j.jmmm.2015.11.033","","","0.71073","MoKα","","0.0312","0.0286","","","0.0668","0.0691","","","","","","1.171","","","","has coordinates,has Fobs","179009","2020-10-21","18:00:00",""
"1542921","5.568411","0.00008","5.568411","0.00008","22.00704","0.00032","90","","90","","120","","590.956","0.015","300","","300","","","","","","","","","4","P 63/m m c","-P 6c 2c","194","","","","- Al24 Eu0.12 O38 Sr1.88 -","- Al24 Eu0.12 O38 Sr1.88 -","- Al24 Eu0.12 O38 Sr1.88 -","1","0.0416667","","Bin Ma; Qingfeng Guo; Maxim S. Molokeev; Zhenfei Lv; Jun Yao; Lefu Mei; Zhaohui Huang","Crystal structure and luminescence properties of green-emitting Sr1-xAl12O19:xEu2+ phosphors","Ceramics International","2016","42","5","5995","5999","10.1016/j.ceramint.2015.12.149","powder diffraction","x-ray","1.5406","CuKα~1~~2~","","","","","","","","","2.91","1.935","","","","","","","has coordinates,has Fobs","205493","2020-10-21","18:00:00",""
"1542922","5.568011","0.000081","5.568011","0.000081","22.00807","0.00031","90","","90","","120","","590.898","0.015","300","","300","","","","","","","","","4","P 63/m m c","-P 6c 2c","194","","","","- Al24 Eu0.16 O38 Sr1.84 -","- Al24 Eu0.16 O38 Sr1.84 -","- Al24 Eu0.16 O38 Sr1.84 -","1","0.0416667","","Bin Ma; Qingfeng Guo; Maxim S. Molokeev; Zhenfei Lv; Jun Yao; Lefu Mei; Zhaohui Huang","Crystal structure and luminescence properties of green-emitting Sr1-xAl12O19:xEu2+ phosphors","Ceramics International","2016","42","5","5995","5999","10.1016/j.ceramint.2015.12.149","powder diffraction","x-ray","1.5406","CuKα~1~~2~","","","","","","","","","2.82","1.661","","","","","","","has coordinates,has Fobs","205493","2020-10-21","18:00:00",""
"1542923","8.7087","0.0002","31.9349","0.0006","14.3643","0.0003","90","","123.574","0.001","90","","3328.42","0.13","193","2","193","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H26 O Si -","- C17 H26 O Si -","- C136 H208 O8 Si8 -","8","2","","Kanno, Hiroshi; Nakamura, Kyosuke; Noguchi, Keiichi; Shibata, Yu; Tanaka, Ken","Rhodium-Catalyzed Cycloisomerization of 2-Silylethynyl Phenols and Anilines via 1,2-Silicon Migration.","Organic letters","2016","18","7","1654","1657","10.1021/acs.orglett.6b00529","","","1.54187","CuKα","","0.0399","0.0385","","","0.1065","0.1078","","","","","","1.045","","","","has coordinates","181442","2020-10-21","18:00:00",""
"1542924","16.557","0.002","10.8619","0.0015","9.5381","0.0013","90","","99.792","0.003","90","","1690.3","0.4","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H20 N2 O4 -","- C18 H20 N2 O4 -","- C72 H80 N8 O16 -","4","1","","Hu, Zhiyong; Tong, Xiaofeng; Liu, Guixia","Rhodium(III) Catalyzed Carboamination of Alkenes Triggered by C-H Activation of N-Phenoxyacetamides under Redox-Neutral Conditions.","Organic letters","2016","18","7","1702","1705","10.1021/acs.orglett.6b00616","","","0.71073","MoKα","","0.106","0.0511","","","0.1122","0.1355","","","","","","0.995","","","","has coordinates","181445","2020-10-21","18:00:00",""
"1542925","9.841","0.0003","15.741","0.0005","17.1529","0.0006","90","","104.041","0.001","90","","2577.72","0.15","180","2","180","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C32 H32 B N S -","- C32 H32 B N S -","- C128 H128 B4 N4 S4 -","4","1","","Shi, Yong-Gang; Yang, Deng-Tao; Mellerup, Soren K.; Wang, Nan; Peng, Tai; Wang, Suning","1,1-Hydroboration of Fused Azole-Isoindole Analogues as an Approach for Construction of B,N-Heterocycles and Azole-Fused B,N-Naphthalenes.","Organic letters","2016","18","7","1626","1629","10.1021/acs.orglett.6b00485","","","0.71073","MoKα","","0.0442","0.0381","","","0.1023","0.1077","","","","","","1.07","","","","has coordinates","181447","2020-10-21","18:00:00",""
"1542926","21.303","0.003","13.582","0.002","9.6038","0.0012","90","","95.171","0.005","90","","2767.4","0.7","152","2","152","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C34 H36 B N3 -","- C34 H36 B N3 -","- C136 H144 B4 N12 -","4","1","","Shi, Yong-Gang; Yang, Deng-Tao; Mellerup, Soren K.; Wang, Nan; Peng, Tai; Wang, Suning","1,1-Hydroboration of Fused Azole-Isoindole Analogues as an Approach for Construction of B,N-Heterocycles and Azole-Fused B,N-Naphthalenes.","Organic letters","2016","18","7","1626","1629","10.1021/acs.orglett.6b00485","","","0.71073","MoKα","","0.0882","0.047","","","0.0965","0.1101","","","","","","1.03","","","","has coordinates","181447","2020-10-21","18:00:00",""
"1542927","18.6106","0.0006","9.3237","0.0003","20.2857","0.0006","90","","98.941","0.001","90","","3477.2","0.19","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C38 H56 N4 O2 -","- C38 H56 N4 O2 -","- C152 H224 N16 O8 -","4","1","","Wezenberg, Sander J.; Croisetu, Christelle M.; Stuart, Marc C. A.; Feringa, Ben L.","Reversible gel‒sol photoswitching with an overcrowded alkene-based bis-urea supergelator","Chem. Sci.","2016","7","7","4341","","10.1039/C6SC00659K","","","0.71073","MoKα","","0.0755","0.0548","","","0.1405","0.1566","","","","","","1.035","","","","has coordinates","185129","2020-10-21","18:00:00",""
"1542928","15.7715","0.0013","12.9851","0.0011","32.521","0.003","90","","97.852","0.005","90","","6597.7","1","143","1","143","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C80 H76 Ce Li2 O11 -","- C80 H76 Ce Li2 O11 -","- C320 H304 Ce4 Li8 O44 -","4","1","","Robinson, Jerome R.; Qiao, Yusen; Gu, Jun; Carroll, Patrick J.; Walsh, Patrick J.; Schelter, Eric J.","The role of dynamic ligand exchange in the oxidation chemistry of cerium(iii)","Chem. Sci.","2016","7","7","4537","","10.1039/C5SC04897D","","","0.71073","MoKα","","0.0475","0.0366","","","0.0912","0.1","","","","","","1.086","","","","has coordinates","185113","2020-10-21","18:00:00",""
"1542929","15.6917","0.0012","16.7884","0.0006","18.8233","0.0007","111.706","0.002","103.016","0.002","97.558","0.003","4360.6","0.4","143","1","143","1","","","","","","","","5","P -1","-P 1","2","","","","- C97 H112 Ce Li3 O14 -","- C97 H112 Ce Li3 O14 -","- C194 H224 Ce2 Li6 O28 -","2","1","","Robinson, Jerome R.; Qiao, Yusen; Gu, Jun; Carroll, Patrick J.; Walsh, Patrick J.; Schelter, Eric J.","The role of dynamic ligand exchange in the oxidation chemistry of cerium(iii)","Chem. Sci.","2016","7","7","4537","","10.1039/C5SC04897D","","","0.71073","MoKα","","0.0463","0.0377","","","0.099","0.1074","","","","","","1.046","","","","has coordinates,has disorder","185113","2020-10-21","18:00:00",""
"1542930","8.0503","0.0013","8.2338","0.0013","12.787","0.0018","78.396","0.006","73.972","0.006","85.069","0.007","797.6","0.2","150","","150","","","","","","","","","5","P -1","-P 1","2","","","","- C18 H15 N O3 S -","- C18 H15 N O3 S -","- C36 H30 N2 O6 S2 -","2","1","","Murayama, Hiroaki; Nagao, Kazunori; Ohmiya, Hirohisa; Sawamura, Masaya","Phosphine-Catalyzed Vicinal Acylcyanation of Alkynoates.","Organic letters","2016","18","7","1706","1709","10.1021/acs.orglett.6b00677","","","0.71075","MoKα","","0.0488","0.0385","","","0.1141","0.1189","","","","","","1.075","","","","has coordinates","181441","2020-10-21","18:00:00",""
"1542931","13.1432","0.0011","13.613","0.0012","8.3381","0.0007","90","","98.495","0.004","90","","1475.5","0.2","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2-Methoxy-4-[3-(3-nitrophenyl)-4,5-dihydro-1<i>H</i>-pyrazol-5-yl]phenol","","- C16 H15 N3 O4 -","- C16 H15 N3 O4 -","- C64 H60 N12 O16 -","4","1","SU4019","Inturi, Bharathkumar; Roopashree, K. R.; Pujar, Gurubasavaraj V.; Mohammed, Irfan Ali; Devarajegowda, H. C.","2-Methoxy-4-[3-(3-nitrophenyl)-4,5-dihydro-1<i>H</i>-pyrazol-5-yl]phenol","IUCrData","2016","1","3","x160466","","10.1107/S2414314616004661","","","1.54178","CuKα","","0.0456","0.0391","","","0.1059","0.1125","","","","","","0.998","","","","has coordinates,has Fobs","179693","2020-10-21","18:00:00",""
"1542932","17.7676","0.0016","13.138","0.0013","11.4852","0.0011","90","","108.261","0.002","90","","2546","0.4","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","Bis[4-(2,4,4-trimethylpentan-2-yl)phenyl]amine","","- C28 H43 N -","- C28 H43 N -","- C112 H172 N4 -","4","1","HB4027","Wang, Limin; Wang, Shengpei; Liu, Shenggao","Bis[4-(2,4,4-trimethylpentan-2-yl)phenyl]amine","IUCrData","2016","1","3","x160424","","10.1107/S2414314616004247","","","0.71073","MoKα","","0.1157","0.0801","","","0.2345","0.2683","","","","","","1.069","","","","has coordinates,has disorder,has Fobs","179694","2020-10-21","18:00:00",""
"1542933","14.1643","0.0007","16.7047","0.0008","24.9505","0.0012","90","","91.601","0.002","90","","5901.2","0.5","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Tris(pyrrolidin-1-yl)carbenium tri-μ-iodido-bis[triiodidobismuthate(III)]","","- C39 H72 Bi2 I9 N9 -","- C39 H72 Bi2 I9 N9 -","- C156 H288 Bi8 I36 N36 -","4","0.5","ZL4007","Tiritiris, Ioannis; Knobloch, Georg; Saur, Stefan; Kantlehner, Willi","Tris(pyrrolidin-1-yl)carbenium tri-μ-iodido-bis[triiodidobismuthate(III)]","IUCrData","2016","1","3","x160427","","10.1107/S2414314616004272","","","0.71073","MoKα","","0.0224","0.018","","","0.033","0.0339","","","","","","1.094","","","","has coordinates,has disorder,has Fobs","179695","2020-10-21","18:00:00",""
"1542934","15.2211","0.0018","12.2037","0.0015","14.4716","0.0018","90","","98.788","0.005","90","","2656.6","0.6","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Dimethyl cyanocarbonimidodithioate","Dimethyl <i>N</i>-cyanodithioiminocarbonate","","- C4 H6 N2 S2 -","- C4 H6 N2 S2 -","- C64 H96 N32 S32 -","16","4","","Diop, Mouhamadou Birame; Diop, Libasse; Oliver, Allen G.","Dimethyl <i>N</i>-cyanodithioiminocarbonate","IUCrData","2016","1","3","x160454","","10.1107/S2414314616004545","","","0.71073","MoKα","","0.1031","0.0478","","","0.0891","0.1063","","","","","","1.066","","","","has coordinates,has disorder,has Fobs","179696","2020-10-21","18:00:00",""
"1542935","20.9334","0.0017","10.2009","0.0008","9.0493","0.0007","90","","90","","90","","1932.4","0.3","100","2","100","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","1-[(7<i>E</i>)-7-(2-Chlorobenzylidene)-3-(2-chlorophenyl)-3,3a,4,5,6,7-hexahydro-2<i>H</i>-indazol-2-yl]ethanone","","- C22 H20 Cl2 N2 O -","- C22 H20 Cl2 N2 O -","- C88 H80 Cl8 N8 O4 -","4","1","HB4029","Adam, Farook; Ameram, Nadiah; Samshuddin, Seranthimata; Akhilesh Bairy, Kurady; Shivashankarappa Sunil, Madhugiri","1-[(7<i>E</i>)-7-(2-Chlorobenzylidene)-3-(2-chlorophenyl)-3,3a,4,5,6,7-hexahydro-2<i>H</i>-indazol-2-yl]ethanone","IUCrData","2016","1","3","x160474","","10.1107/S2414314616004740","","","0.71073","MoKα","","0.0597","0.0409","","","0.0862","0.0939","","","","","","1.051","","","","has coordinates,has Fobs","179697","2020-10-21","18:00:00",""
"1542936","4.0105","0.0001","21.0705","0.0007","10.7451","0.0004","90","","96.323","0.002","90","","902.47","0.05","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","5-Nitro-1-(prop-2-yn-1-yl)-1<i>H</i>-indazole","","- C10 H7 N3 O2 -","- C10 H7 N3 O2 -","- C40 H28 N12 O8 -","4","1","ZQ4005","Boulhaoua, Mohammed; El Hafi, Mohamed; Benchidmi, Mohammed; Essassi, El Mokhtar; Mague, Joel T.","5-Nitro-1-(prop-2-yn-1-yl)-1<i>H</i>-indazole","IUCrData","2016","1","3","x160480","","10.1107/S2414314616004806","","","1.54178","CuKα","","0.0493","0.044","","","0.1198","0.1237","","","","","","1.041","","","","has coordinates,has Fobs","179698","2020-10-21","18:00:00",""
"1542937","7.7705","0.0005","9.8189","0.0006","21.5478","0.0014","90","","90","","90","","1644.05","0.18","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","<i>N</i>,<i>N</i>,<i>N</i>',<i>N</i>',<i>N</i>'',<i>N</i>''-hexamethylguanidinium 1,1,3,3-tetracyanoprop-2-en-1-ide","","- C14 H19 N7 -","- C14 H19 N7 -","- C56 H76 N28 -","4","1","SJ4016","Tiritiris, Ioannis; Kress, Ralf; Kantlehner, Willi","<i>N</i>,<i>N</i>,<i>N</i>',<i>N</i>',<i>N</i>'',<i>N</i>''-Hexamethylguanidinium 1,1,3,3-tetracyanoprop-2-en-1-ide","IUCrData","2016","1","3","x160478","","10.1107/S2414314616004788","","","0.71073","MoKα","","0.0555","0.0364","","","0.0699","0.0761","","","","","","1.018","","","","has coordinates,has disorder,has Fobs","179699","2020-10-21","18:00:00",""
"1542938","11.191","0.006","14.136","0.008","7.975","0.005","90","","106.894","0.007","90","","1207.2","1.2","293","2","293","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C11 H6 N O5 Zn -","- C11 H6 N O5 Zn -","- C44 H24 N4 O20 Zn4 -","4","0.5","","Yang, Xiaogang; Yan, Dongpeng","Long-afterglow metal‒organic frameworks: reversible guest-induced phosphorescence tunability","Chem. Sci.","2016","7","7","4519","","10.1039/C6SC00563B","","","0.71073","MoKα","","0.0532","0.052","","","0.1497","0.1501","","","","","","1.236","","","","has coordinates","185116","2020-10-21","18:00:00",""
"1542939","9.9475","0.0007","13.7704","0.001","14.6585","0.001","98.995","0.0019","100.851","0.0018","97.3666","0.0018","1921.9","0.2","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C40 H60 N P2 Pd -","- C40 H60 N P2 Pd -","- C80 H120 N2 P4 Pd2 -","2","1","","Cui, Peng; Hoffbauer, Melissa R.; Vyushkova, Mariya; Iluc, Vlad M.","Heterobimetallic Pd‒K carbene complexes via one-electron reductions of palladium radical carbenes","Chem. Sci.","2016","7","7","4444","","10.1039/C6SC00948D","","","0.71073","MoKα","","0.0302","0.0253","","","0.0606","0.0624","","","","","","1.039","","","","has coordinates","185126","2020-10-21","18:00:00",""
"1542940","20.2994","0.0014","17.5268","0.0014","15.9561","0.0016","90","","123.775","0.003","90","","4718.8","0.7","120","2","120","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C45 H62 N P2 Pd -","- C45 H62 N P2 Pd -","- C180 H248 N4 P8 Pd4 -","4","0.5","","Cui, Peng; Hoffbauer, Melissa R.; Vyushkova, Mariya; Iluc, Vlad M.","Heterobimetallic Pd‒K carbene complexes via one-electron reductions of palladium radical carbenes","Chem. Sci.","2016","7","7","4444","","10.1039/C6SC00948D","","","0.71073","MoKα","","0.03","0.0246","","","0.0587","0.0604","","","","","","1.059","","","","has coordinates","185126","2020-10-21","18:00:00",""
"1542941","26.989","0.003","12.0603","0.001","23.568","0.002","90","","96.879","0.004","90","","7616.1","1.2","120","2","120","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C40 H59 K P2 Pd -","- C40 H59 K P2 Pd -","- C320 H472 K8 P16 Pd8 -","8","1","","Cui, Peng; Hoffbauer, Melissa R.; Vyushkova, Mariya; Iluc, Vlad M.","Heterobimetallic Pd‒K carbene complexes via one-electron reductions of palladium radical carbenes","Chem. Sci.","2016","7","7","4444","","10.1039/C6SC00948D","","","0.71073","MoKα","","0.0349","0.0267","","","0.0661","0.0692","","","","","","1.066","","","","has coordinates","185126","2020-10-21","18:00:00",""
"1542942","10.2409","0.0009","18.169","0.0015","25.743","0.002","90","","90.553","0.003","90","","4789.7","0.7","120","2","120","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C49 H72 K N O P2 Pd -","- C49 H72 K N O P2 Pd -","- C196 H288 K4 N4 O4 P8 Pd4 -","4","1","","Cui, Peng; Hoffbauer, Melissa R.; Vyushkova, Mariya; Iluc, Vlad M.","Heterobimetallic Pd‒K carbene complexes via one-electron reductions of palladium radical carbenes","Chem. Sci.","2016","7","7","4444","","10.1039/C6SC00948D","","","0.71073","MoKα","","0.0318","0.0252","","","0.0563","0.0582","","","","","","1.049","","","","has coordinates,has disorder","185126","2020-10-21","18:00:00",""
"1542943","13.0334","0.0006","8.6509","0.0004","17.4221","0.0011","90","","101.862","0.005","90","","1922.41","0.18","293.6","0.1","293.6","0.1","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C23 H17 F4 N O -","- C23 H17 F4 N O -","- C92 H68 F16 N4 O4 -","4","1","","Wu, Xin-Xing; Chen, Wen-Long; Shen, Yi; Chen, Si; Xu, Peng-Fei; Liang, Yong-Min","Palladium-Catalyzed Domino Heck/Intermolecular C-H Bond Functionalization: Efficient Synthesis of Alkylated Polyfluoroarene Derivatives.","Organic letters","2016","18","8","1784","1787","10.1021/acs.orglett.6b00447","","x-ray","0.71073","MoKα","","0.1333","0.0674","","","0.1551","0.2076","","","","","","1.038","","","","has coordinates","182524","2020-10-21","18:00:00",""
"1542944","22.905","0.004","7.8263","0.0009","15.601","0.0017","90","","90","","90","","2796.7","0.7","273.77","0.1","273.77","0.1","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C16 H11 F5 O -","- C16 H11 F5 O -","- C128 H88 F40 O8 -","8","1","","Wu, Xin-Xing; Chen, Wen-Long; Shen, Yi; Chen, Si; Xu, Peng-Fei; Liang, Yong-Min","Palladium-Catalyzed Domino Heck/Intermolecular C-H Bond Functionalization: Efficient Synthesis of Alkylated Polyfluoroarene Derivatives.","Organic letters","2016","18","8","1784","1787","10.1021/acs.orglett.6b00447","","x-ray","0.71","MoKα","","0.201","0.0835","","","0.2207","0.2986","","","","","","0.993","","","","has coordinates","194547","2020-10-21","18:00:00",""
"1542945","11.2485","0.0003","11.2825","0.0003","20.3694","0.0006","90","","100.559","0.001","90","","2541.33","0.12","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C28 H40 O4 -","- C28 H40 O4 -","- C112 H160 O16 -","4","1","","Yang, Xing-Wei; Li, Yan-Ping; Su, Jia; Ma, Wei-Guang; Xu, Gang","Hyperjapones A-E, Terpenoid Polymethylated Acylphloroglucinols from Hypericum japonicum.","Organic letters","2016","18","8","1876","1879","10.1021/acs.orglett.6b00650","","","1.54178","CuKα","","0.0505","0.05","","","0.1211","0.1214","","","","","","1.126","","","","has coordinates,has disorder","182531","2020-10-21","18:00:00",""
"1542946","10.7495","0.0003","10.9897","0.0003","11.3193","0.0003","90","","106.928","0.001","90","","1279.25","0.06","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C29 H42 O4 -","- C29 H42 O4 -","- C58 H84 O8 -","2","1","","Yang, Xing-Wei; Li, Yan-Ping; Su, Jia; Ma, Wei-Guang; Xu, Gang","Hyperjapones A-E, Terpenoid Polymethylated Acylphloroglucinols from Hypericum japonicum.","Organic letters","2016","18","8","1876","1879","10.1021/acs.orglett.6b00650","","","1.54178","CuKα","","0.0313","0.0313","","","0.0803","0.0804","","","","","","1.05","","","","has coordinates","182531","2020-10-21","18:00:00",""
"1542947","11.0867","0.0004","10.5463","0.0004","11.7485","0.0004","90","","109.197","0.001","90","","1297.29","0.08","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C29 H42 O4 -","- C29 H42 O4 -","- C58 H84 O8 -","2","1","","Yang, Xing-Wei; Li, Yan-Ping; Su, Jia; Ma, Wei-Guang; Xu, Gang","Hyperjapones A-E, Terpenoid Polymethylated Acylphloroglucinols from Hypericum japonicum.","Organic letters","2016","18","8","1876","1879","10.1021/acs.orglett.6b00650","","","1.54178","CuKα","","0.071","0.0709","","","0.19","0.1902","","","","","","1.116","","","","has coordinates","182531","2020-10-21","18:00:00",""
"1542948","8.6184","0.0002","16.3163","0.0004","17.7667","0.0004","90","","90","","90","","2498.36","0.1","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C28 H40 O4 -","- C28 H40 O4 -","- C112 H160 O16 -","4","1","","Yang, Xing-Wei; Li, Yan-Ping; Su, Jia; Ma, Wei-Guang; Xu, Gang","Hyperjapones A-E, Terpenoid Polymethylated Acylphloroglucinols from Hypericum japonicum.","Organic letters","2016","18","8","1876","1879","10.1021/acs.orglett.6b00650","","","1.54178","CuKα","","0.0338","0.0336","","","0.0864","0.0866","","","","","","1.062","","","","has coordinates","182531","2020-10-21","18:00:00",""
"1542949","13.38314","0.00017","6.24052","0.00006","16.58575","0.00016","90","","105.584","0.0012","90","","1334.28","0.03","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C29 H44 O4 -","- C29 H44 O4 -","- C58 H88 O8 -","2","1","","Hilario-Martínez, J Ciciolil; Zeferino-Díaz, Reyna; Muñoz-Hernández, Miguel A; Hernández-Linares, Ma Guadalupe; Cabellos, José Luis; Merino, Gabriel; Sandoval-Ramírez, Jesús; Jin, Zhendong; Fernández-Herrera, María A","Regioselective Spirostan E-Ring Opening for the Synthesis of Dihydropyran Steroidal Frameworks.","Organic letters","2016","18","8","1772","1775","10.1021/acs.orglett.6b00492","","x-ray","1.54184","CuKα","","0.0524","0.0517","","","0.1446","0.1455","","","","","","1.04","","","","has coordinates","182533","2020-10-21","18:00:00",""
"1542950","11.2415","0.0007","12.0721","0.0007","12.4456","0.0007","71.657","0.001","70.424","0.001","72.905","0.001","1476.55","0.15","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C22 H22 F6 I N3 O8 S2 -","- C22 H22 F6 I N3 O8 S2 -","- C44 H44 F12 I2 N6 O16 S4 -","2","1","","Kelley, Brandon T.; Walters, Jennifer C.; Wengryniuk, Sarah E.","Access to Diverse Oxygen Heterocycles via Oxidative Rearrangement of Benzylic Tertiary Alcohols.","Organic letters","2016","18","8","1896","1899","10.1021/acs.orglett.6b00672","","","0.71073","MoKα","","0.0433","0.0299","","","0.0652","0.0683","","","","","","1.043","","","","has coordinates","182522","2020-10-21","18:00:00",""
"1542951","9.2002","0.0009","9.5076","0.0009","11.4762","0.0011","101.253","0.002","101.453","0.002","103.53","0.002","925.3","0.15","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C20 H18 F6 O2 -","- C20 H18 F6 O2 -","- C40 H36 F12 O4 -","2","1","","Kelley, Brandon T.; Walters, Jennifer C.; Wengryniuk, Sarah E.","Access to Diverse Oxygen Heterocycles via Oxidative Rearrangement of Benzylic Tertiary Alcohols.","Organic letters","2016","18","8","1896","1899","10.1021/acs.orglett.6b00672","","","0.71073","MoKα","","0.0489","0.0392","","","0.0916","0.0977","","","","","","1.053","","","","has coordinates","182522","2020-10-21","18:00:00",""
"1542952","13.5634","0.0004","9.094","0.0003","15.4845","0.0004","90","","100.494","0.0011","90","","1878","0.1","223","2","223","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H22 N2 O3 S -","- C20 H22 N2 O3 S -","- C80 H88 N8 O12 S4 -","4","1","","Kim, Youyoung; Park, Juhyeon; Chang, Sukbok","A Direct Access to 7-Aminoindoles via Iridium-Catalyzed Mild C-H Amidation of N-Pivaloylindoles with Organic Azides.","Organic letters","2016","18","8","1892","1895","10.1021/acs.orglett.6b00662","","","0.71073","MoKα","","0.0616","0.0429","","","0.1096","0.1202","","","","","","1.045","","","","has coordinates","182523","2020-10-21","18:00:00",""
"1542953","7.9172","0.0004","9.9111","0.0006","12.2268","0.0007","71.212","0.0017","89.404","0.0016","76.745","0.0015","882","0.09","150","","150","","","","","","","","","5","P -1","-P 1","2","","","","- C22 H15 Br N2 O -","- C22 H15 Br N2 O -","- C44 H30 Br2 N4 O2 -","2","1","","Martinez-Ariza, Guillermo; McConnell, Nicholas; Hulme, Christopher","One-Pot Two-Step Multicomponent Process of Indole and Other Nitrogenous Heterocycles or Amines toward α-Oxo-acetamidines.","Organic letters","2016","18","8","1864","1867","10.1021/acs.orglett.6b00634","","","0.71073","MoKα","","0.0345","0.0307","","","0.0767","0.0785","","","","","","1.068","","","","has coordinates","182532","2020-10-21","18:00:00",""
"1542954","9.2118","0.0005","9.4709","0.0006","10.8004","0.0006","84.286","0.001","77.568","0.001","64.183","0.001","828.32","0.08","100","","100.03","","","","","","","","","4","P -1","-P 1","2","","","","- C22 H18 N2 O -","- C22 H18 N2 O -","- C44 H36 N4 O2 -","2","1","","Martinez-Ariza, Guillermo; McConnell, Nicholas; Hulme, Christopher","One-Pot Two-Step Multicomponent Process of Indole and Other Nitrogenous Heterocycles or Amines toward α-Oxo-acetamidines.","Organic letters","2016","18","8","1864","1867","10.1021/acs.orglett.6b00634","","","0.71073","MoKα","","0.0398","0.0371","","","0.0942","0.0967","","","","","","1.042","","","","has coordinates","182532","2020-10-21","18:00:00",""
"1542955","12.492","0.003","9.7027","0.0019","31.799","0.006","90","","94.843","0.003","90","","3840.5","1.4","138","","138","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C38 H60 Cl Fe N2 O3 -","- C38 H60 Cl Fe N2 O3 -","- C152 H240 Cl4 Fe4 N8 O12 -","4","1","","Alhashmialameer, Dalal; Collins, Julie; Hattenhauer, Karen; Kerton, Francesca M.","Iron amino-bis(phenolate) complexes for the formation of organic carbonates from CO2and oxiranes","Catal. Sci. Technol.","2016","6","14","5364","","10.1039/C6CY00477F","","","0.71075","MoKα","","0.0417","0.04","","","0.1025","0.1039","","","","","","1.051","","","","has coordinates","185094","2020-10-21","18:00:00",""
"1542956","27.898","0.009","9.683","0.003","23.472","0.008","90","","110.032","0.004","90","","5957","3","168","","168","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C30.5 H45 Cl Fe N2 O2.5 -","- C30.5 H45 Cl Fe N2 O2.5 -","- C244 H360 Cl8 Fe8 N16 O20 -","8","1","","Alhashmialameer, Dalal; Collins, Julie; Hattenhauer, Karen; Kerton, Francesca M.","Iron amino-bis(phenolate) complexes for the formation of organic carbonates from CO2and oxiranes","Catal. Sci. Technol.","2016","6","14","5364","","10.1039/C6CY00477F","","","0.71075","MoKα","","0.0392","0.0375","","","0.0988","0.1006","","","","","","1.051","","","","has coordinates","185094","2020-10-21","18:00:00",""
"1542957","10.3771","0.0007","13.7178","0.0009","15.7246","0.001","90","","90","","90","","2238.4","0.3","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C26 H24 N2 O2 S -","- C26 H24 N2 O2 S -","- C104 H96 N8 O8 S4 -","4","1","","Wu, Qing-Feng; Zheng, Chao; Zhuo, Chun-Xiang; You, Shu-Li","Highly efficient synthesis and stereoselective migration reactions of chiral five-membered aza-spiroindolenines: scope and mechanistic understanding","Chem. Sci.","2016","7","7","4453","","10.1039/C6SC00176A","","","0.71073","MoKα","","0.039","0.0369","","","0.0955","0.097","","","","","","1.051","","","","has coordinates","185123","2020-10-21","18:00:00",""
"1542958","10.6807","0.001","8.6932","0.0008","12.7653","0.0012","90","","101.848","0.002","90","","1160","0.19","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C26 H24 N2 O2 S -","- C26 H24 N2 O2 S -","- C52 H48 N4 O4 S2 -","2","1","","Wu, Qing-Feng; Zheng, Chao; Zhuo, Chun-Xiang; You, Shu-Li","Highly efficient synthesis and stereoselective migration reactions of chiral five-membered aza-spiroindolenines: scope and mechanistic understanding","Chem. Sci.","2016","7","7","4453","","10.1039/C6SC00176A","","","0.71073","MoKα","","0.0475","0.0399","","","0.1007","0.1064","","","","","","1.046","","","","has coordinates","185123","2020-10-21","18:00:00",""
"1542959","6.763","0.0019","11.797","0.003","28.909","0.008","90","","90","","90","","2306.4","1.1","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C26 H25 N2 O2.5 S -","- C26 H25 N2 O2.5 S -","- C104 H100 N8 O10 S4 -","4","1","","Wu, Qing-Feng; Zheng, Chao; Zhuo, Chun-Xiang; You, Shu-Li","Highly efficient synthesis and stereoselective migration reactions of chiral five-membered aza-spiroindolenines: scope and mechanistic understanding","Chem. Sci.","2016","7","7","4453","","10.1039/C6SC00176A","","","0.71073","MoKα","","0.0584","0.0446","","","0.1","0.1057","","","","","","0.959","","","","has coordinates","185123","2020-10-21","18:00:00",""
"1542960","8.4047","0.0007","8.8853","0.0008","24","0.002","90","","90","","90","","1792.3","0.3","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C20 H20 N2 O2 S -","- C20 H20 N2 O2 S -","- C80 H80 N8 O8 S4 -","4","1","","Wu, Qing-Feng; Zheng, Chao; Zhuo, Chun-Xiang; You, Shu-Li","Highly efficient synthesis and stereoselective migration reactions of chiral five-membered aza-spiroindolenines: scope and mechanistic understanding","Chem. Sci.","2016","7","7","4453","","10.1039/C6SC00176A","","","0.71073","MoKα","","0.0463","0.0373","","","0.0967","0.1019","","","","","","1.049","","","","has coordinates","185123","2020-10-21","18:00:00",""
"1542961","11.8055","0.0008","13.0054","0.0009","14.4044","0.001","90","","90","","90","","2211.6","0.3","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C26 H24 N2 O2 S -","- C26 H24 N2 O2 S -","- C104 H96 N8 O8 S4 -","4","1","","Wu, Qing-Feng; Zheng, Chao; Zhuo, Chun-Xiang; You, Shu-Li","Highly efficient synthesis and stereoselective migration reactions of chiral five-membered aza-spiroindolenines: scope and mechanistic understanding","Chem. Sci.","2016","7","7","4453","","10.1039/C6SC00176A","","","0.71073","MoKα","","0.0446","0.0394","","","0.0994","0.1036","","","","","","1.042","","","","has coordinates,has disorder","185123","2020-10-21","18:00:00",""
"1542962","12.3031","0.0016","10.1584","0.0013","17.27","0.002","90","","95.303","0.002","90","","2149.2","0.5","133","2","133","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H24 N2 O2 S -","- C26 H24 N2 O2 S -","- C104 H96 N8 O8 S4 -","4","1","","Wu, Qing-Feng; Zheng, Chao; Zhuo, Chun-Xiang; You, Shu-Li","Highly efficient synthesis and stereoselective migration reactions of chiral five-membered aza-spiroindolenines: scope and mechanistic understanding","Chem. Sci.","2016","7","7","4453","","10.1039/C6SC00176A","","","0.71073","MoKα","","0.0672","0.0493","","","0.1068","0.1151","","","","","","0.951","","","","has coordinates,has disorder","185123","2020-10-21","18:00:00",""
"1542963","14.313","0.006","14.313","0.006","25.736","0.012","90","","90","","90","","5272","4","93","","93","","","","","","","","","5","I 4/m","-I 4","87","","","","- C124 H72 Cl16 N16 Tb2 -","- C124 H72 Cl16 N16 Tb2 -","- C248 H144 Cl32 N32 Tb4 -","2","0.125","","Katoh, Keiichi; Breedlove, Brian K.; Yamashita, Masahiro","Symmetry of octa-coordination environment has a substantial influence on dinuclear TbIIItriple-decker single-molecule magnets","Chem. Sci.","2016","7","7","4329","","10.1039/C5SC04669F","","","0.71075","MoKα","","","0.06","","","","0.1761","","","","","","1.153","","","","has coordinates","185125","2020-10-21","18:00:00",""
"1542964","13.8","0.003","27.638","0.006","23.522","0.005","90","","98.391","0.003","90","","8875","3","93","2","93","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C110 H62 Cl6 N20 Tb2 -","- C110 H62 Cl6 N20 Tb2 -","- C440 H248 Cl24 N80 Tb8 -","4","1","","Katoh, Keiichi; Breedlove, Brian K.; Yamashita, Masahiro","Symmetry of octa-coordination environment has a substantial influence on dinuclear TbIIItriple-decker single-molecule magnets","Chem. Sci.","2016","7","7","4329","","10.1039/C5SC04669F","","","0.71075","MoKα","","0.1055","0.0761","","","0.1859","0.2231","","","","","","1.109","","","","has coordinates","185125","2020-10-21","18:00:00",""
"1542965","8.3113","0.0005","12.197","0.0006","12.7574","0.0007","101.086","0.004","105.393","0.005","93.456","0.005","1215.1","0.12","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","4-(8-(2-chlorophenyl)-6-isopropylthiazolo[5,4-b]thieno[3,2-e]pyridin-2-yl)phenol","","- C25 H25 Cl N2 O3 S2 -","- C25 H23 Cl N2 O3 S2 -","- C50 H46 Cl2 N4 O6 S4 -","2","1","","Huang, Manna; Yu, Ruina; Xu, Ke; Ye, Shuxian; Kuang, Shi; Zhu, Xinhai; Wan, Yiqian","An arch-bridge-type fluorophore for bridging the gap between aggregation-caused quenching (ACQ) and aggregation-induced emission (AIE)","Chem. Sci.","2016","7","7","4485","","10.1039/C6SC01254J","","","1.54178","CuKα","","0.0609","0.0507","","","0.1294","0.1393","","","","","","1.028","","","","has coordinates,has disorder","185131","2020-10-21","18:00:00",""
"1542966","9.1702","0.0004","18.4101","0.0009","24.3386","0.0011","90","","90","","90","","4108.9","0.3","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","DF1","-(8-(2-chlorophenyl)-6-isopropylthiazolo[5,4-b]thieno[3,2-e]pyridin-2-yl)phenol","","- C23 H17 Cl N2 O S2 -","- C23 H17 Cl N2 O S2 -","- C184 H136 Cl8 N16 O8 S16 -","8","1","","Huang, Manna; Yu, Ruina; Xu, Ke; Ye, Shuxian; Kuang, Shi; Zhu, Xinhai; Wan, Yiqian","An arch-bridge-type fluorophore for bridging the gap between aggregation-caused quenching (ACQ) and aggregation-induced emission (AIE)","Chem. Sci.","2016","7","7","4485","","10.1039/C6SC01254J","","","0.71073","MoKα","","0.0833","0.0627","","","0.1646","0.1821","","","","","","1.029","","","","has coordinates,has disorder","185131","2020-10-21","18:00:00",""
"1542967","14.1636","0.0004","7.6109","0.0002","20.6614","0.0005","90","","103.485","0.003","90","","2165.85","0.1","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","4-(8-(2-chlorophenyl)-6-isopropylthiazolo[5,4-b]thieno[3,2-e]pyridin-2-yl)-3-hydroxybenzonitrile","","- C24 H16 Cl N3 O S2 -","- C24 H16 Cl N3 O S2 -","- C96 H64 Cl4 N12 O4 S8 -","4","1","","Huang, Manna; Yu, Ruina; Xu, Ke; Ye, Shuxian; Kuang, Shi; Zhu, Xinhai; Wan, Yiqian","An arch-bridge-type fluorophore for bridging the gap between aggregation-caused quenching (ACQ) and aggregation-induced emission (AIE)","Chem. Sci.","2016","7","7","4485","","10.1039/C6SC01254J","","","1.54178","CuKα","","0.0536","0.0444","","","0.1225","0.1325","","","","","","1.029","","","","has coordinates,has disorder","185131","2020-10-21","18:00:00",""
"1542968","9.5948","0.0006","10.3128","0.0007","12.0188","0.0008","87.285","0.005","86.081","0.005","83.966","0.005","1178.93","0.13","293","10","293","2","","","","","","","","6","P -1","-P 1","2","","N-(2-(8-(2-chlorophenyl)-6-isopropylthiazolo[5,4-b]thieno[3,2-e]pyridin-2-yl)phenyl)methanesulfonamide","","- C24 H20 Cl N3 O2 S3 -","- C24 H20 Cl N3 O2 S3 -","- C48 H40 Cl2 N6 O4 S6 -","2","1","","Huang, Manna; Yu, Ruina; Xu, Ke; Ye, Shuxian; Kuang, Shi; Zhu, Xinhai; Wan, Yiqian","An arch-bridge-type fluorophore for bridging the gap between aggregation-caused quenching (ACQ) and aggregation-induced emission (AIE)","Chem. Sci.","2016","7","7","4485","","10.1039/C6SC01254J","","","1.54178","CuKα","","0.0756","0.0651","","","0.1708","0.182","","","","","","1.046","","","","has coordinates,has disorder","185131","2020-10-21","18:00:00",""
"1542969","10.6742","0.0005","10.973","0.0006","13.2942","0.0007","112.061","0.005","95.45","0.004","93.025","0.004","1429.98","0.14","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","N-(2-(8-(2-chlorophenyl)-6-isopropylthiazolo[5,4-b]thieno [3,2-e]pyridin-2-yl)phenyl)-4-methylbenzenesulfonamide","","- C30 H24 Cl N3 O2 S3 -","- C30 H24 Cl N3 O2 S3 -","- C60 H48 Cl2 N6 O4 S6 -","2","1","","Huang, Manna; Yu, Ruina; Xu, Ke; Ye, Shuxian; Kuang, Shi; Zhu, Xinhai; Wan, Yiqian","An arch-bridge-type fluorophore for bridging the gap between aggregation-caused quenching (ACQ) and aggregation-induced emission (AIE)","Chem. Sci.","2016","7","7","4485","","10.1039/C6SC01254J","","","1.54178","CuKα","","0.068","0.0574","","","0.1593","0.1711","","","","","","1.03","","","","has coordinates","185131","2020-10-21","18:00:00",""
"1542970","4.037","0.002","5.968","0.003","13.092","0.006","79.09","0.013","87.09","0.015","85.96","0.014","308.7","0.3","173.15","","173.15","","","","","","","","","4","P -1","-P 1","2","","","","- C14 H8 Br2 F2 -","- C14 H8 Br2 F2 -","- C14 H8 Br2 F2 -","1","0.5","","Zhang, Weifeng; Shi, Keli; Huang, Jianyao; Gao, Dong; Mao, Zupan; Li, Dizao; Yu, Gui","Fluorodiphenylethene-Containing Donor‒Acceptor Conjugated Copolymers with Noncovalent Conformational Locks for Efficient Polymer Field-Effect Transistors","Macromolecules","2016","49","7","2582","","10.1021/acs.macromol.6b00144","","","0.71073","MoKα","","0.029","0.0278","","","0.0684","0.0696","","","","","","1.145","","","","has coordinates,has disorder","182508","2020-10-21","18:00:00",""
"1542971","11.2913","0.0017","9.9716","0.0015","12.7496","0.0019","90","","115.977","0.002","90","","1290.5","0.3","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C14 H14 Br N O2 -","- C14 H14 Br N O2 -","- C56 H56 Br4 N4 O8 -","4","1","","Gade, Amol B.; Patil, Nitin T.","Gold(I)-Catalyzed Hydroaminaloxylation and Petasis-Ferrier Rearrangement Cascade of Aminaloalkynes.","Organic letters","2016","18","8","1844","1847","10.1021/acs.orglett.6b00585","","","0.71073","MoKα","","0.0858","0.0452","","","0.0969","0.1149","","","","","","1.022","","","","has coordinates","182527","2020-10-21","18:00:00",""
"1542972","6.2853","0.0001","10.2495","0.0002","23.3386","0.0005","90","","90","","90","","1503.5","0.05","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C17 H20 Cl N O2 -","- C17 H20 Cl N O2 -","- C68 H80 Cl4 N4 O8 -","4","1","","Gade, Amol B.; Patil, Nitin T.","Gold(I)-Catalyzed Hydroaminaloxylation and Petasis-Ferrier Rearrangement Cascade of Aminaloalkynes.","Organic letters","2016","18","8","1844","1847","10.1021/acs.orglett.6b00585","","","0.71073","MoKα","","0.0238","0.0236","","","0.0532","0.0533","","","","","","1.102","","","","has coordinates","184979","2020-10-21","18:00:00",""
"1542973","11.8546","0.0009","8.9058","0.0007","17.5841","0.0016","90","","92.201","0.001","90","","1855.1","0.3","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H16 N2 O2 S -","- C22 H16 N2 O2 S -","- C88 H64 N8 O8 S4 -","4","1","","Hao, Wen-Juan; Du, Yan; Wang, Dan; Jiang, Bo; Gao, Qian; Tu, Shu-Jiang; Li, Guigen","Catalytic Diazosulfonylation of Enynals toward Diazoindenes via Oxidative Radical-Triggered 5-exo-trig Carbocyclizations.","Organic letters","2016","18","8","1884","1887","10.1021/acs.orglett.6b00655","","","0.71073","MoKα","","0.107","0.0495","","","0.0971","0.1176","","","","","","1","","","","has coordinates","182529","2020-10-21","18:00:00",""
"1542974","11.2207","0.0008","11.9968","0.0009","14.8113","0.0012","69.493","0.001","75.67","0.002","69.385","0.001","1730.2","0.2","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C44 H32 N2 O5 S -","- C44 H32 N2 O5 S -","- C88 H64 N4 O10 S2 -","2","1","","Hao, Wen-Juan; Du, Yan; Wang, Dan; Jiang, Bo; Gao, Qian; Tu, Shu-Jiang; Li, Guigen","Catalytic Diazosulfonylation of Enynals toward Diazoindenes via Oxidative Radical-Triggered 5-exo-trig Carbocyclizations.","Organic letters","2016","18","8","1884","1887","10.1021/acs.orglett.6b00655","","","0.71073","MoKα","","0.1347","0.055","","","0.1056","0.1268","","","","","","0.833","","","","has coordinates","182529","2020-10-21","18:00:00",""
"1542975","7.4551","0.0008","11.9212","0.0013","15.1931","0.0016","90.605","0.006","99.245","0.005","105.408","0.006","1282.8","0.2","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","Bis[4-(5-anilino-1,3,4-thiadiazol-2-yl)pyridinium] sulfate","","- C26 H22 N8 O4 S3 -","- C26 H22 N8 O4 S3 -","- C52 H44 N16 O8 S6 -","2","1","SJ4013","Bharti, Akhilesh; Nath, Paras; Bharati, Pooja; Gupta, Sushil K.; Bharty, Manoj K.","Bis[4-(5-anilino-1,3,4-thiadiazol-2-yl)pyridinium] sulfate","IUCrData","2016","1","3","x160446","","10.1107/S2414314616004466","","","0.71073","MoKα","","0.0356","0.0301","","","0.0711","0.0742","","","","","","1.073","","","","has coordinates,has Fobs","180627","2020-10-21","18:00:00",""
"1542976","14.0236","0.0003","6.9976","0.0001","25.3551","0.0005","90","","105.245","0.001","90","","2400.58","0.08","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","1-Benzyl-5-nitro-1<i>H</i>-indazole","","- C14 H11 N3 O2 -","- C14 H11 N3 O2 -","- C112 H88 N24 O16 -","8","2","SJ4014","Boulhaoua, Mohammed; Abdelahi, Mohammed Mokhtar; Benchidmi, Mohammed; Essassi, El Mokhtar; Mague, Joel T.","1-Benzyl-5-nitro-1<i>H</i>-indazole","IUCrData","2016","1","3","x160485","","10.1107/S2414314616004855","","","1.54178","CuKα","","0.0469","0.0365","","","0.0877","0.0942","","","","","","1.036","","","","has coordinates,has Fobs","180628","2020-10-21","18:00:00",""
"1542977","9.4106","0.0012","14.936","0.002","24.175","0.004","90","","90.29","0.002","90","","3397.9","0.8","150","2","150","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","(4,4'-Dimethoxy-2,2'-bipyridine-κ^2^<i>N</i>,<i>N</i>')bis[2-(pyridin-2-yl)phenyl-κ<i>C</i>^1^]iridium(III) hexafluoridophosphate","","- C34 H28 F6 Ir N4 O2 P -","- C34 H28 F6 Ir N4 O2 P -","- C136 H112 F24 Ir4 N16 O8 P4 -","4","1","TK4009","Natsumi, Yano; Yusuke, Kataoka; Tatsuya, Kawamoto; Makoto, Handa","(4,4'-Dimethoxy-2,2'-bipyridine-κ^2^<i>N</i>,<i>N</i>')bis[2-(pyridin-2-yl)phenyl-κ<i>C</i>^1^]iridium(III) hexafluoridophosphate unknown solvate","IUCrData","2016","1","3","x160487","","10.1107/S2414314616004879","","","0.71075","MoKα","","0.036","0.0321","","","0.0803","0.0828","","","","","","1.08","","","","has coordinates,has Fobs","180629","2020-10-21","18:00:00",""
"1542978","5.8594","0.0003","18.8756","0.0008","16.0649","0.0009","90","","108.13","0.004","90","","1688.56","0.15","296","","296","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","<i>N</i>-(3-{[(<i>Z</i>)-(3-Hydroxy-4-methylphenyl)imino]methyl}pyridin-2-yl)pivalamide","","- C18 H21 N3 O2 -","- C18 H21 N3 O2 -","- C72 H84 N12 O8 -","4","1","FF4003","Atalay, Şehriman; Gerçeker, Semra; Eserci, Hande; Ağar, Erbil","<i>N</i>-(3-{[(<i>Z</i>)-(3-Hydroxy-4-methylphenyl)imino]methyl}pyridin-2-yl)pivalamide","IUCrData","2016","1","3","x160464","","10.1107/S2414314616004648","","","0.71073","MoKα","","0.111","0.0588","","","0.1225","0.1417","","","","","","1.019","","","","has coordinates,has disorder,has Fobs","180630","2020-10-21","18:00:00",""
"1542979","11.5579","0.0005","9.9279","0.0004","12.5271","0.0005","90","","95.03","0.002","90","","1431.89","0.1","123","2","123","2","","","","","","","","4","P 1 21 1","P 2yb","4","Menthone-4-methylthiosemicarbazone","2-[(<i>E</i>)-(2<i>S</i>,5<i>R</i>)-2-Isopropyl-5-methylcyclohexylidene]-<i>N</i>-methylhydrazine-1-carbothioamide","","- C12 H23 N3 S -","- C12 H23 N3 S -","- C48 H92 N12 S4 -","4","2","BX4002","de Oliveira, Adriano Bof; Beck, Johannes; Daniels, Jörg; de Farias, Renan Lira","2-[(<i>E</i>)-(2<i>S</i>,5<i>R</i>)-2-Isopropyl-5-methylcyclohexylidene]-<i>N</i>-methylhydrazine-1-carbothioamide","IUCrData","2016","1","3","x160459","","10.1107/S2414314616004594","","","0.71073","MoKα","","0.0649","0.0444","","","0.096","0.104","","","","","","1.061","","","","has coordinates,has Fobs","180631","2020-10-21","18:00:00",""
"1542980","11.2326","0.0004","8.025","0.0003","16.3653","0.0007","90","","91.95","0.003","90","","1474.34","0.1","100","2","100","2","","","","","","","","5","P 1 2/n 1","-P 2yac","13","","(4,7,13,16,21,24-Hexaoxa-1,10-diazabicyclo[8.8.8]hexacosane-κ^8^<i>N</i>~2~,<i>O</i>~6~)rubidium 4,4'-bipyridinidyl","","- C28 H44 N4 O6 Rb -","- C28 H44 N4 O6 Rb -","- C56 H88 N8 O12 Rb2 -","2","0.5","WM4010","Mayer, Kerstin; Klein, Wilhelm; Fässler, Thomas F.","(4,7,13,16,21,24-Hexaoxa-1,10-diazabicyclo[8.8.8]hexacosane-κ^8^<i>N</i>~2~,<i>O</i>~6~)rubidium 4,4'-bipyridinidyl","IUCrData","2016","1","3","x160505","","10.1107/S2414314616005058","","","0.71073","MoKα","","0.0384","0.0293","","","0.0622","0.0651","","","","","","1.036","","","","has coordinates,has Fobs","180632","2020-10-21","18:00:00",""
"1542981","19.155","0.003","10.5762","0.0014","19.495","0.003","90","","92.382","0.003","90","","3946","1","223","","223","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2,7,10,13-Tetra-<i>tert</i>-butyl-<i>N</i>-phenylacenaphtho[1,2-<i>j</i>]fluoranthene-4,5-dicarboximide","","- C50 H49 N O2 -","- C50 H49 N O2 -","- C200 H196 N4 O8 -","4","1","HB4031","Ozoe, Hiroaki; Kitamura, Chitoshi; Nishida, Jun-ichi; Kawase, Takeshi","2,7,10,13-Tetra-<i>tert</i>-butyl-<i>N</i>-phenylacenaphtho[1,2-<i>j</i>]fluoranthene-4,5-dicarboximide","IUCrData","2016","1","3","x160473","","10.1107/S2414314616004739","","","0.71073","MoKα","","0.1644","0.0766","","","0.1814","0.2433","","","","","","1.061","","","","has coordinates,has disorder,has Fobs","180633","2020-10-21","18:00:00",""
"1542982","9.7001","0.0014","12.1805","0.0014","13.866","0.0017","75.99","0.005","89.069","0.006","87.074","0.006","1587.5","0.4","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","<i>N</i>-(4-Benzoylphenyl)pyridine-2-carbothioamide","","- C19 H14 N2 O S -","- C19 H14 N2 O S -","- C76 H56 N8 O4 S4 -","4","2","HB4032","Hanif, Muhammad; Hartinger, Christian G.; Shaheen, Muhammad Ashraf; Tahir, Muhammad Nawaz","<i>N</i>-(4-Benzoylphenyl)pyridine-2-carbothioamide","IUCrData","2016","1","3","x160471","","10.1107/S2414314616004715","","","0.71073","MoKα","","0.1242","0.0603","","","0.1626","0.2","","","","","","1","","","","has coordinates,has Fobs","180634","2020-10-21","18:00:00",""
"1542983","15.794","0.0012","11.1864","0.0008","24.8212","0.0018","90","","95.128","0.001","90","","4367.8","0.6","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","2-({5-[(4-Chlorophenoxy)methyl]-4-phenyl-4<i>H</i>-1,2,4-triazol-3-yl}sulfanyl)-<i>N</i>-phenylacetamide","","- C23 H19 Cl N4 O2 S -","- C23 H19 Cl N4 O2 S -","- C184 H152 Cl8 N32 O16 S8 -","8","1","RZ4002","Mague, Joel T.; Mohamed, Shaaban K.; Akkurt, Mehmet; Bakhite, Etify A.; Albayati, Mustafa R.","2-({5-[(4-Chlorophenoxy)methyl]-4-phenyl-4<i>H</i>-1,2,4-triazol-3-yl}sulfanyl)-<i>N</i>-phenylacetamide","IUCrData","2016","1","3","x160453","","10.1107/S2414314616004533","","","0.71073","MoKα","","0.0605","0.0431","","","0.1093","0.1177","","","","","","1.055","","","","has coordinates,has disorder,has Fobs","180635","2020-10-21","18:00:00",""
"1542984","10.2254","0.0003","26.6695","0.0009","9.921","0.0003","90","","110.718","0.001","90","","2530.56","0.14","150","2","150","2","","","","","","","","5","C 1 c 1","C -2yc","9","","Ethyl 3-({[(4-methylphenyl)carbamoyl]methyl}sulfanyl)-5,6-diphenylpyridazine-4-carboxylate","","- C28 H25 N3 O3 S -","- C28 H25 N3 O3 S -","- C112 H100 N12 O12 S4 -","4","1","XU4003","Mague, Joel T.; Mohamed, Shaaban K.; Akkurt, Mehmet; Bakhite, Etify A.; Albayati, Mustafa R.","Ethyl 3-({[(4-methylphenyl)carbamoyl]methyl}sulfanyl)-5,6-diphenylpyridazine-4-carboxylate","IUCrData","2016","1","3","x160479","","10.1107/S241431461600479X","","","1.54178","CuKα","","0.0286","0.0278","","","0.0704","0.071","","","","","","1.041","","","","has coordinates,has disorder,has Fobs","180636","2020-10-21","18:00:00",""
"1542985","13.85","0.003","15.604","0.003","14.083","0.003","90","","90.44","0.03","90","","3043.5","1.1","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C40 H68 Ca2 N16 O24 S4 -","- C40 H68 Ca2 N16 O24 S4 -","- C80 H136 Ca4 N32 O48 S8 -","2","1","","Sun, Jia; Xie, Chuang; Zhang, Xia; Bao, Ying; Hou, Baohong; Wang, Zhao; Gong, Junbo; Hao, Hongxun; Wang, Yongli; Wang, Jingkang; Yin, Qiuxiang","Preparation and Dehydration Kinetics of Complex Sulfadiazine Calcium Hydrate with Both Channel-Type and Coordinated Water","Organic Process Research & Development","2016","20","4","780","","10.1021/acs.oprd.6b00027","","","0.71073","MoKα","","0.0729","0.0498","","","0.1008","0.1104","","","","","","1.036","","","","has coordinates","182509","2020-10-21","18:00:00",""
"1542986","54.734","0.011","27.619","0.006","35.243","0.007","90","","90","","90","","53277","19","223","2","223","1","","","","","","","","7","P n a 21","P 2c -2n","33","","Cd-Nd-cluster","","- C342 H428 Cd24 Cl7 N24 Nd8 O128 -","- C342 H428 Cd24 Cl7 N24 Nd8 O128 -","- C1368 H1712 Cd96 Cl28 N96 Nd32 O512 -","4","1","","Yang, Xiaoping; Wang, Shiqing; King, Tyler L.; Kerr, Christopher J.; Blanchet, Clement; Svergun, Dmitri; Pal, Robert; Beeby, Andrew; Vadivelu, Jamuna; Brown, Katherine A.; Jones, Richard A.; Zhang, Lijie; Huang, Shaoming","Anisotropic lanthanide-based nano-clusters for imaging applications.","Faraday discussions","2016","191","","465","","10.1039/c6fd00018e","","","0.710747","MoKα","","0.1213","0.1018","","","0.2608","0.2844","","","","","","1.047","","","","has coordinates","187152","2020-10-21","18:00:00",""
"1542987","54.106","0.011","27.127","0.005","34.876","0.007","90","","90","","90","","51189","17","223","2","223","1","","","","","","","","7","P n a 21","P 2c -2n","33","","Cd-Tb-cluster","","- C342 H428 Cd24 Cl7 N24 O128 Tb8 -","- C342 H428 Cd24 Cl7 N24 O128 Tb8 -","- C1368 H1712 Cd96 Cl28 N96 O512 Tb32 -","4","1","","Yang, Xiaoping; Wang, Shiqing; King, Tyler L.; Kerr, Christopher J.; Blanchet, Clement; Svergun, Dmitri; Pal, Robert; Beeby, Andrew; Vadivelu, Jamuna; Brown, Katherine A.; Jones, Richard A.; Zhang, Lijie; Huang, Shaoming","Anisotropic lanthanide-based nano-clusters for imaging applications.","Faraday discussions","2016","191","","465","","10.1039/c6fd00018e","","","0.710747","MoKα","","0.2224","0.1038","","","0.2098","0.2575","","","","","","0.94","","","","has coordinates","187152","2020-10-21","18:00:00",""
"1542988","15.462","0.003","19.156","0.004","19.871","0.004","90","","107.63","0.03","90","","5609","2","223","2","223","1","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","Ni-Nd-cluster","","- C56 H50 Br4 N8 Nd2 Ni4 O51.5 -","- C56 H50 Br4 N8 Nd2 Ni4 O51.5 -","- C112 H100 Br8 N16 Nd4 Ni8 O103 -","2","0.5","","Yang, Xiaoping; Wang, Shiqing; King, Tyler L.; Kerr, Christopher J.; Blanchet, Clement; Svergun, Dmitri; Pal, Robert; Beeby, Andrew; Vadivelu, Jamuna; Brown, Katherine A.; Jones, Richard A.; Zhang, Lijie; Huang, Shaoming","Anisotropic lanthanide-based nano-clusters for imaging applications.","Faraday discussions","2016","191","","465","","10.1039/c6fd00018e","","","0.710747","MoKα","","0.0982","0.0781","","","0.2092","0.228","","","","","","1.027","","","","has coordinates","187152","2020-10-21","18:00:00",""
"1542989","23.0058","0.001","15.2127","0.0005","7.8037","0.0003","90","","90","","90","","2731.14","0.18","293.89","0.1","154.89","0.1","","","","","","","","3","P 21 21 2","P 2 2ab","18","","","","- C28 H34 O8 -","- C28 H34 O8 -","- C112 H136 O32 -","4","1","","Zhai, Ming-Ming; Qi, Feng-Ming; Li, Jie; Jiang, Chun-Xiao; Hou, Yue; Shi, Yan-Ping; Di, Duo-Long; Zhang, Ji-Wen; Wu, Quan-Xiang","Isolation of Secondary Metabolites from the Soil-Derived Fungus Clonostachys rosea YRS-06, a Biological Control Agent, and Evaluation of Antibacterial Activity.","Journal of agricultural and food chemistry","2016","64","11","2298","2306","10.1021/acs.jafc.6b00556","","x-ray","1.54184","CuKα","","0.0506","0.0443","","","0.1147","0.1205","","","","","","1.008","","","","has coordinates","181336","2020-10-21","18:00:00",""
"1542990","5.701","0.002","14.172","0.005","16.101","0.006","90","","96.143","0.012","90","","1293.4","0.8","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H9 F3 O S -","- C14 H9 F3 O S -","- C56 H36 F12 O4 S4 -","4","1","","Qiao, Zongjun; Jiang, Xuefeng","Ligand-Controlled Divergent Cross-Coupling Involving Organosilicon Compounds for Thioether and Thioester Synthesis.","Organic letters","2016","18","7","1550","1553","10.1021/acs.orglett.6b00324","","","0.71073","MoKα","","0.1833","0.0851","","","0.2112","0.284","","","","","","1.024","","","","has coordinates","181380","2020-10-21","18:00:00",""
"1542991","11.535","0.002","12.207","0.002","24.328","0.003","90","","97.723","0.002","90","","3394.5","0.9","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C39 H35 N O9 -","- C39 H35 N O9 -","- C156 H140 N4 O36 -","4","1","","Chen, Gang-Gang; Wei, Jun-Qiang; Yang, Xiaoliang; Yao, Zhu-Jun","Convenient One-Step Synthesis of Benzo[c]phenanthridines by Three-Component Reactions of Isochromenylium Tetrafluoroborates and Stilbenes in Acetonitrile.","Organic letters","2016","18","7","1502","1505","10.1021/acs.orglett.6b00010","","","0.71073","MoKα","","0.0916","0.0517","","","0.1171","0.1336","","","","","","1.017","","","","has coordinates,has disorder","181381","2020-10-21","18:00:00",""
"1542992","8.1304","0.0002","10.1754","0.0003","12.5578","0.0008","68.602","0.005","84.781","0.006","69.582","0.005","905.74","0.08","153","2","153","2","","","","","","","","4","P -1","-P 1","2","","","","- C19 H18 N2 O7 -","- C19 H18 N2 O7 -","- C38 H36 N4 O14 -","2","1","","Grélaud, Simon; Desvergnes, Valérie; Landais, Yannick","Stereocontrolled (Me3Si)3SiH-Mediated Radical and Ionic Hydride Transfer in Synthesis of 2,3,5-Trisubstituted THF.","Organic letters","2016","18","7","1542","1545","10.1021/acs.orglett.6b00303","","","1.54187","CuKα","","0.0672","0.0539","","","0.1388","0.1739","","","","","","1.033","","","","has coordinates","181382","2020-10-21","18:00:00",""
"1542993","9.8904","0.0002","32.7758","0.0006","18.3035","0.0013","90","","95.879","0.007","90","","5902.2","0.5","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C28 H40 O4 Si -","- C28 H40 O4 Si -","- C224 H320 O32 Si8 -","8","2","","Grélaud, Simon; Desvergnes, Valérie; Landais, Yannick","Stereocontrolled (Me3Si)3SiH-Mediated Radical and Ionic Hydride Transfer in Synthesis of 2,3,5-Trisubstituted THF.","Organic letters","2016","18","7","1542","1545","10.1021/acs.orglett.6b00303","","","1.54187","CuKα","","0.0774","0.0535","","","0.1472","0.1678","","","","","","1.029","","","","has coordinates,has disorder","217633","2020-10-21","18:00:00",""
"1542994","9.1174","0.0002","11.1302","0.0003","12.8185","0.0003","102.653","0.002","96.246","0.002","95.869","0.002","1250.97","0.05","150","0.1","150","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C15 H9 N3 S -","- C15 H9 N3 S -","- C60 H36 N12 S4 -","4","2","","Baert, François; Cabanetos, Clément; Allain, Magali; Silvestre, Virginie; Leriche, Philippe; Blanchard, Philippe","Thieno[2,3-b]indole-Based Small Push-Pull Chromophores: Synthesis, Structure, and Electronic Properties.","Organic letters","2016","18","7","1582","1585","10.1021/acs.orglett.6b00438","","x-ray","1.54184","CuKα","","0.0507","0.044","","","0.1176","0.1251","","","","","","1.085","","","","has coordinates","181384","2020-10-21","18:00:00",""
"1542995","12.496","0.003","11.563","0.003","13.831","0.003","90","","92.488","0.004","90","","1996.6","0.8","200","2","200","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H17 Br I N2 -","- C24 H17 Br I N2 -","- C96 H68 Br4 I4 N8 -","4","1","","Li, Ren-Hao; Ding, Cheng-Ke; Jiang, Ya-Nan; Ding, Zong-Cang; An, Xiao-Ming; Tang, Hai-Tao; Jing, Qi-Wei; Zhan, Zhuang-Ping","Synthesis of 5,6-Dihydropyrazolo[5,1-a]isoquinolines through Indium(III)-Promoted Halocyclizations of N-Propargylic Sulfonylhydrazones.","Organic letters","2016","18","7","1666","1669","10.1021/acs.orglett.6b00534","","","0.71073","MoKα","","0.0485","0.0457","","","0.1237","0.1256","","","","","","1.042","","","","has coordinates","181385","2020-10-21","18:00:00",""
"1542996","7.3389","0.0007","15.6186","0.0013","23.534","0.002","90","","90","","90","","2697.5","0.4","123","","123","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C17 H13 F N2 O3 -","- C17 H13 F N2 O3 -","- C136 H104 F8 N16 O24 -","8","1","","Duret, Guillaume; Quinlan, Robert; Martin, Rainer E.; Bisseret, Philippe; Neuburger, Markus; Gandon, Vincent; Blanchard, Nicolas","Inverse Electron-Demand [4 + 2]-Cycloadditions of Ynamides: Access to Novel Pyridine Scaffolds.","Organic letters","2016","18","7","1610","1613","10.1021/acs.orglett.6b00464","","","1.54178","CuKα","","0.0353","0.0333","","0.0418","0.035","0.0346","","","","","","1.116","","","","has coordinates","181386","2020-10-21","18:00:00",""
"1542997","11.2431","0.0009","11.648","0.0009","28.604","0.003","90","","92.21","0.007","90","","3743.2","0.6","123","","123","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C21 H17 F3 N2 O3 -","- C21 H17 F3 N2 O3 -","- C168 H136 F24 N16 O24 -","8","2","","Duret, Guillaume; Quinlan, Robert; Martin, Rainer E.; Bisseret, Philippe; Neuburger, Markus; Gandon, Vincent; Blanchard, Nicolas","Inverse Electron-Demand [4 + 2]-Cycloadditions of Ynamides: Access to Novel Pyridine Scaffolds.","Organic letters","2016","18","7","1610","1613","10.1021/acs.orglett.6b00464","","","1.54178","CuKα","","0.1238","0.0493","","0.1608","0.1023","0.1608","","","","","","1.0021","","","","has coordinates","181387","2020-10-21","18:00:00",""
"1542998","9.534","0.008","12.529","0.011","17.309","0.015","85.64","0.012","85.998","0.011","68.912","0.011","1922","3","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C22 H19 N O5 -","- C22 H19 N O5 -","- C88 H76 N4 O20 -","4","2","","Rao, Bin; Tang, Jinghua; Zeng, Xiaoming","Synthesis of 2-Benzylphenyl Ketones by Aryne Insertion into Unactivated C-C Bonds.","Organic letters","2016","18","7","1678","1681","10.1021/acs.orglett.6b00578","","","0.71073","MoKα","","0.0962","0.0537","","","0.1434","0.1629","","","","","","1.095","","","","has coordinates","181388","2020-10-21","18:00:00",""
"1542999","7.122","0.0005","12.4596","0.0009","29.1959","0.0018","90","","90","","90","","2590.8","0.3","293","2","293.15","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C15 H15 Cl -","- C15 H15 Cl -","- C120 H120 Cl8 -","8","2","","Chen, Jianhui; Chen, Chenhui; Ji, Chonglei; Lu, Zhan","Cobalt-Catalyzed Asymmetric Hydrogenation of 1,1-Diarylethenes.","Organic letters","2016","18","7","1594","1597","10.1021/acs.orglett.6b00453","","","0.71073","MoKα","","0.1047","0.0579","","","0.1201","0.142","","","","","","1.02","","","","has coordinates","181389","2020-10-21","18:00:00",""
"1543000","9.1755","0.0006","10.6216","0.0006","10.7652","0.0006","116.93","0.002","104.318","0.002","98.249","0.002","865.79","0.09","298","","298","","","","","","","","","4","P -1","-P 1","2","","","","- C21 H15 N S2 -","- C21 H15 N S2 -","- C42 H30 N2 S4 -","2","1","","Iwasaki, Masayuki; Topolovčan, Nikola; Hu, Hao; Nishimura, Yugo; Gagnot, Glwadys; Na Nakorn, Rungsaeng; Yuvacharaskul, Ramida; Nakajima, Kiyohiko; Nishihara, Yasushi","Palladium-Catalyzed Regio- and Stereoselective Carbothiolation of Terminal Alkynes with Azolyl Sulfides.","Organic letters","2016","18","7","1642","1645","10.1021/acs.orglett.6b00503","","","0.71075","MoKα","","0.0794","0.0502","","","0.0993","0.1105","","","","","","1.047","","","","has coordinates","181391","2020-10-21","18:00:00",""
"1543001","11.33","0.005","7.224","0.003","17.293","0.01","90","","98.28","0.02","90","","1400.6","1.2","298","","298","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H13 N O S2 -","- C16 H13 N O S2 -","- C64 H52 N4 O4 S8 -","4","1","","Iwasaki, Masayuki; Topolovčan, Nikola; Hu, Hao; Nishimura, Yugo; Gagnot, Glwadys; Na Nakorn, Rungsaeng; Yuvacharaskul, Ramida; Nakajima, Kiyohiko; Nishihara, Yasushi","Palladium-Catalyzed Regio- and Stereoselective Carbothiolation of Terminal Alkynes with Azolyl Sulfides.","Organic letters","2016","18","7","1642","1645","10.1021/acs.orglett.6b00503","","","0.71075","MoKα","","0.0433","0.034","","","0.0882","0.0946","","","","","","1.05","","","","has coordinates","181392","2020-10-21","18:00:00",""
"1543002","8.5565","0.0007","10.4912","0.0009","13.4305","0.0012","103.093","0.002","97.701","0.002","100.077","0.002","1137.06","0.17","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C25 H23 Br O4 S -","- C25 H23 Br O4 S -","- C50 H46 Br2 O8 S2 -","2","1","","Chang, Meng-Yang; Cheng, Yu-Chieh","Synthesis of 1-Aryltetralins and 1-Arylnaphthalenes via (4 + 2) Annulation of β-Ketosulfones with Styryl Bromides.","Organic letters","2016","18","7","1682","1685","10.1021/acs.orglett.6b00603","","","0.71073","MoKα","","0.1012","0.0646","","","0.1641","0.1803","","","","","","1.057","","","","has coordinates,has disorder","181393","2020-10-21","18:00:00",""
"1543003","17.1277","0.0009","11.8028","0.0006","22.7698","0.0013","90","","108.933","0.003","90","","4354","0.4","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C24 H21 Cl O3 S -","- C24 H21 Cl O3 S -","- C192 H168 Cl8 O24 S8 -","8","1","","Chang, Meng-Yang; Cheng, Yu-Chieh","Synthesis of 1-Aryltetralins and 1-Arylnaphthalenes via (4 + 2) Annulation of β-Ketosulfones with Styryl Bromides.","Organic letters","2016","18","7","1682","1685","10.1021/acs.orglett.6b00603","","","0.71073","MoKα","","0.0748","0.0442","","","0.1037","0.1195","","","","","","1.017","","","","has coordinates","181394","2020-10-21","18:00:00",""
"1543004","16.3404","0.0007","12.2597","0.0006","11.1997","0.0005","90","","106.631","0.002","90","","2149.76","0.17","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C25 H23 Br O2 S -","- C25 H23 Br O2 S -","- C100 H92 Br4 O8 S4 -","4","1","","Chang, Meng-Yang; Cheng, Yu-Chieh","Synthesis of 1-Aryltetralins and 1-Arylnaphthalenes via (4 + 2) Annulation of β-Ketosulfones with Styryl Bromides.","Organic letters","2016","18","7","1682","1685","10.1021/acs.orglett.6b00603","","","0.71073","MoKα","","0.0664","0.0425","","","0.1194","0.1302","","","","","","1.064","","","","has coordinates","181395","2020-10-21","18:00:00",""
"1543005","9.6011","0.0004","21.5757","0.0008","10.0691","0.0004","90","","109.771","0.001","90","","1962.86","0.13","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C23 H18 Br F O2 S -","- C23 H18 Br F O2 S -","- C92 H72 Br4 F4 O8 S4 -","4","1","","Chang, Meng-Yang; Cheng, Yu-Chieh","Synthesis of 1-Aryltetralins and 1-Arylnaphthalenes via (4 + 2) Annulation of β-Ketosulfones with Styryl Bromides.","Organic letters","2016","18","7","1682","1685","10.1021/acs.orglett.6b00603","","","0.71073","MoKα","","0.0471","0.0329","","","0.0749","0.0793","","","","","","1.027","","","","has coordinates","181396","2020-10-21","18:00:00",""
"1543006","8.29","0.003","16.342","0.006","39.875","0.012","90","","90","","90","","5402","3","296","2","296","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C34 H24 Br2 F2 -","- C34 H24 Br2 F2 -","- C272 H192 Br16 F16 -","8","1","","Chang, Meng-Yang; Cheng, Yu-Chieh","Synthesis of 1-Aryltetralins and 1-Arylnaphthalenes via (4 + 2) Annulation of β-Ketosulfones with Styryl Bromides.","Organic letters","2016","18","7","1682","1685","10.1021/acs.orglett.6b00603","","","0.71073","MoKα","","0.0961","0.0461","","","0.0869","0.1015","","","","","","1.012","","","","has coordinates","181397","2020-10-21","18:00:00",""
"1543007","11.5248","0.0007","26.0897","0.0017","15.4151","0.001","90","","93.083","0.002","90","","4628.3","0.5","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C28 H23 Br O2 S -","- C28 H23 Br O2 S -","- C224 H184 Br8 O16 S8 -","8","2","","Chang, Meng-Yang; Cheng, Yu-Chieh","Synthesis of 1-Aryltetralins and 1-Arylnaphthalenes via (4 + 2) Annulation of β-Ketosulfones with Styryl Bromides.","Organic letters","2016","18","7","1682","1685","10.1021/acs.orglett.6b00603","","","0.71073","MoKα","","0.1419","0.0724","","","0.1909","0.2332","","","","","","1.028","","","","has coordinates","214153","2020-10-21","18:00:00",""
"1543008","9.812","0.0004","10.5329","0.0005","11.5586","0.0006","97.807","0.002","101.735","0.002","116.313","0.002","1013.06","0.09","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H21 Br O2 S -","- C24 H21 Br O2 S -","- C48 H42 Br2 O4 S2 -","2","1","","Chang, Meng-Yang; Cheng, Yu-Chieh","Synthesis of 1-Aryltetralins and 1-Arylnaphthalenes via (4 + 2) Annulation of β-Ketosulfones with Styryl Bromides.","Organic letters","2016","18","7","1682","1685","10.1021/acs.orglett.6b00603","","","0.71073","MoKα","","0.0465","0.037","","","0.0965","0.1017","","","","","","1.084","","","","has coordinates","181399","2020-10-21","18:00:00",""
"1543009","10.1594","0.0006","11.9897","0.0005","12.8474","0.0008","90","","107.684","0.007","90","","1490.97","0.15","291","2","291","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C17 H16 Br N O2 -","- C17 H16 Br N O2 -","- C68 H64 Br4 N4 O8 -","4","2","","Zhao, Feng; Li, Nan; Zhu, Yi-Fan; Han, Zhi-Yong","Enantioselective Construction of Functionalized Tetrahydrocarbazoles Enabled by Asymmetric Relay Catalysis of Gold Complex and Chiral Brønsted Acid.","Organic letters","2016","18","7","1506","1509","10.1021/acs.orglett.6b00012","","","0.71073","MoKα","","0.0992","0.0556","","","0.1243","0.1778","","","","","","1.087","","","","has coordinates","181400","2020-10-21","18:00:00",""
"1543010","7.852","0.003","8.477","0.004","14.445","0.006","89.89","0.004","75.96","0.004","65.051","0.004","840.2","0.6","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C14 H29 N O2 Si -","- C14 H29 N O2 Si -","- C28 H58 N2 O4 Si2 -","2","1","","Sasaki, Michiko; Ando, Masafumi; Kawahata, Masatoshi; Yamaguchi, Kentaro; Takeda, Kei","Spontaneous Oxygenation of Siloxy-N-silylketenimines to α-Ketoamides.","Organic letters","2016","18","7","1598","1601","10.1021/acs.orglett.6b00455","","","0.71073","MoKα","","0.0357","0.0321","","","0.0822","0.0844","","","","","","1.076","","","","has coordinates","181401","2020-10-21","18:00:00",""
"1543011","13.2577","0.0003","12.2802","0.0004","22.5646","0.0005","90","","94.431","0.002","90","","3662.7","0.17","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C22 H15 F3 O S -","- C22 H15 F3 O S -","- C176 H120 F24 O8 S8 -","8","2","","Qiu, Yi-Feng; Song, Xian-Rong; Li, Ming; Zhu, Xin-Yu; Wang, An-Qi; Yang, Fang; Han, Ya-Ping; Zhang, Heng-Rui; Jin, Dong-Po; Li, Ying-Xiu; Liang, Yong-Min","BF3·OEt2-AgSCF3 Mediated Trifluoromethylthiolation/Cascade Cyclization of Propynols: Synthesis of 4-((Trifluoromethyl)thio)-2H-chromene and 4-((Trifluoromethyl)thio)-1,2-dihydroquinoline Derivatives.","Organic letters","2016","18","7","1514","1517","10.1021/acs.orglett.6b00065","","x-ray","0.71073","MoKα","","0.0974","0.0569","","","0.1094","0.136","","","","","","1.039","","","","has coordinates","181402","2020-10-21","18:00:00",""
"1543012","19.4188","0.0008","11.5902","0.0004","22.8272","0.0006","90","","90","","90","","5137.7","0.3","293.6","0.1","293.6","0.1","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C29 H20 F5 N O2 S2 -","- C29 H20 F5 N O2 S2 -","- C232 H160 F40 N8 O16 S16 -","8","1","","Qiu, Yi-Feng; Song, Xian-Rong; Li, Ming; Zhu, Xin-Yu; Wang, An-Qi; Yang, Fang; Han, Ya-Ping; Zhang, Heng-Rui; Jin, Dong-Po; Li, Ying-Xiu; Liang, Yong-Min","BF3·OEt2-AgSCF3 Mediated Trifluoromethylthiolation/Cascade Cyclization of Propynols: Synthesis of 4-((Trifluoromethyl)thio)-2H-chromene and 4-((Trifluoromethyl)thio)-1,2-dihydroquinoline Derivatives.","Organic letters","2016","18","7","1514","1517","10.1021/acs.orglett.6b00065","","x-ray","0.71","MoKα","","0.0982","0.0513","","","0.1082","0.1378","","","","","","1.066","","","","has coordinates","181403","2020-10-21","18:00:00",""
"1543013","10.9922","0.0006","34.479","0.002","11.1612","0.0005","90","","94.851","0.004","90","","4214.9","0.4","293.6","0.1","293.6","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C26 H17 F3 O S -","- C26 H17 F3 O S -","- C208 H136 F24 O8 S8 -","8","2","","Qiu, Yi-Feng; Song, Xian-Rong; Li, Ming; Zhu, Xin-Yu; Wang, An-Qi; Yang, Fang; Han, Ya-Ping; Zhang, Heng-Rui; Jin, Dong-Po; Li, Ying-Xiu; Liang, Yong-Min","BF3·OEt2-AgSCF3 Mediated Trifluoromethylthiolation/Cascade Cyclization of Propynols: Synthesis of 4-((Trifluoromethyl)thio)-2H-chromene and 4-((Trifluoromethyl)thio)-1,2-dihydroquinoline Derivatives.","Organic letters","2016","18","7","1514","1517","10.1021/acs.orglett.6b00065","","x-ray","0.71","MoKα","","0.1456","0.0714","","","0.16","0.2072","","","","","","1.04","","","","has coordinates,has disorder","181404","2020-10-21","18:00:00",""
"1543014","9.3849","0.0005","19.4808","0.0011","14.2431","0.0006","90","","93.135","0.004","90","","2600.1","0.2","273.77","0.1","273.77","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C25 H20 Cl3 F3 O3 S -","- C25 H20 Cl3 F3 O3 S -","- C100 H80 Cl12 F12 O12 S4 -","4","1","","Qiu, Yi-Feng; Song, Xian-Rong; Li, Ming; Zhu, Xin-Yu; Wang, An-Qi; Yang, Fang; Han, Ya-Ping; Zhang, Heng-Rui; Jin, Dong-Po; Li, Ying-Xiu; Liang, Yong-Min","BF3·OEt2-AgSCF3 Mediated Trifluoromethylthiolation/Cascade Cyclization of Propynols: Synthesis of 4-((Trifluoromethyl)thio)-2H-chromene and 4-((Trifluoromethyl)thio)-1,2-dihydroquinoline Derivatives.","Organic letters","2016","18","7","1514","1517","10.1021/acs.orglett.6b00065","","x-ray","0.71073","MoKα","","0.2045","0.0827","","","0.1962","0.2749","","","","","","0.963","","","","has coordinates,has disorder","181405","2020-10-21","18:00:00",""
"1543015","10.6524","0.001","11.9315","0.0013","23.654","0.003","96.938","0.002","95.935","0.002","92.1575","0.0019","2964.6","0.6","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C67 H86 Cl2 N4 O6 -","- C67 H86 Cl2 N4 O6 -","- C134 H172 Cl4 N8 O12 -","2","1","","Zahim, Sara; Wickramasinghe, Lasantha A.; Evano, Gwilherm; Jabin, Ivan; Schrock, Richard R.; Müller, Peter","Calix[6]azacryptand Ligand with a Sterically Protected Tren-Based Coordination Site for Metal Ions.","Organic letters","2016","18","7","1570","1573","10.1021/acs.orglett.6b00410","","","0.71073","MoKα","","0.0731","0.0485","","","0.1152","0.1291","","","","","","1.021","","","","has coordinates,has disorder","181406","2020-10-21","18:00:00",""
"1543016","17.5923","0.0012","26.1314","0.0017","19.613","0.0013","90","","109.576","0.0013","90","","8495.1","1","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C68 H89.2 F6 N4 O14.6 S2 Zn -","- C68 H89.204 F6 N4 O14.602 S2 Zn -","- C272 H356.816 F24 N16 O58.408 S8 Zn4 -","4","1","","Zahim, Sara; Wickramasinghe, Lasantha A.; Evano, Gwilherm; Jabin, Ivan; Schrock, Richard R.; Müller, Peter","Calix[6]azacryptand Ligand with a Sterically Protected Tren-Based Coordination Site for Metal Ions.","Organic letters","2016","18","7","1570","1573","10.1021/acs.orglett.6b00410","","","0.71073","MoKα","","0.0912","0.0573","","","0.1465","0.1709","","","","","","1.018","","","","has coordinates,has disorder","181407","2020-10-21","18:00:00",""
"1543017","13.7574","0.0006","8.8592","0.0003","18.0333","0.0006","90","","90","","90","","2197.89","0.14","173","0.1","173","0.1","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C24 H7 B F15 N -","- C24 H7 B F15 N -","- C96 H28 B4 F60 N4 -","4","1","","Zhang, Zhenbei; Miao, Chengxia; Xia, Chungu; Sun, Wei","Synergistic Acid-Catalyzed Synthesis of N-Aryl-Substituted Azacycles from Anilines and Cyclic Ethers.","Organic letters","2016","18","7","1522","1525","10.1021/acs.orglett.6b00157","","x-ray","0.71073","MoKα","","0.0539","0.0409","","","0.0765","0.0855","","","","","","1.058","","","","has coordinates","181408","2020-10-21","18:00:00",""
"1543018","10.044","0.0009","17.0692","0.0018","12.0304","0.0012","90","","95.588","0.003","90","","2052.7","0.4","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H19 Cl N2 O7 -","- C20 H19 Cl N2 O7 -","- C80 H76 Cl4 N8 O28 -","4","1","","Xu, Wen-Qin; Chen, Min; Wang, Kun-Yao; Ren, Zheng-Jiao; Lu, Ai-Min; Yang, Chun-Long","Synthesis, Characterization, and Antifungal Activity of Phenylpyrrole-Substituted Tetramic Acids Bearing Carbonates.","Molecules (Basel, Switzerland)","2016","21","3","355","","10.3390/molecules21030355","","","0.71073","MoKα","","0.1007","0.0569","","","0.1644","0.1984","","","","","","1.023","","","","has coordinates,has disorder","181481","2020-10-21","18:00:00",""
"1543019","18.495","0.003","10.4499","0.0015","20.683","0.003","90","","112.149","0.002","90","","3702.4","1","90","2","90","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","[Et4N][Fe4N(CO)11PPh2EtOH]","","","- C33 H35 Fe4 N2 O12 P -","- C33 H35 Fe4 N2 O12 P -","- C132 H140 Fe16 N8 O48 P4 -","4","1","","Loewen, Natalia D.; Thompson, Emily J.; Kagan, Michael; Banales, Carolina L.; Myers, Thomas W.; Fettinger, James C.; Berben, Louise A.","A pendant proton shuttle on [Fe4N(CO)12]−alters product selectivity in formate vs. H2production via the hydride [H‒Fe4N(CO)12]−","Chem. Sci.","2016","7","4","2728","","10.1039/C5SC03169A","","","0.71073","MoKα","","0.0296","0.024","","","0.0594","0.0626","","","","","","1.03","","","","has coordinates","181482","2020-10-21","18:00:00",""
"1543020","25.63","0.002","10.6233","0.0008","31.622","0.002","90","","95.408","0.001","90","","8571.6","1.1","90","2","90","2","","","","","","","","6","I 1 2/a 1","-I 2ya","15","[Et4N][Fe4N(CO)11PPh3]","","","- C41 H43 Fe4 N2 O12 P -","- C41 H43 Fe4 N2 O12 P -","- C328 H344 Fe32 N16 O96 P8 -","8","1","","Loewen, Natalia D.; Thompson, Emily J.; Kagan, Michael; Banales, Carolina L.; Myers, Thomas W.; Fettinger, James C.; Berben, Louise A.","A pendant proton shuttle on [Fe4N(CO)12]−alters product selectivity in formate vs. H2production via the hydride [H‒Fe4N(CO)12]−","Chem. Sci.","2016","7","4","2728","","10.1039/C5SC03169A","","","0.71073","MoKα","","0.0264","0.0229","","","0.0572","0.059","","","","","","1.056","","","","has coordinates,has disorder","181482","2020-10-21","18:00:00",""
"1543021","8.2087","0.0001","8.2087","0.0001","44.2189","0.0005","90","","90","","90","","2979.59","0.06","173","2","173","2","","","","","","","","3","P 41 21 2","P 4abw 2nw","92","","","","- C19 H18 O5 -","- C19 H18 O5 -","- C152 H144 O40 -","8","1","","Ni, Gang; Zhang, Hua; Fan, Yao-Yue; Liu, Hong-Chun; Ding, Jian; Yue, Jian-Min","Mannolides A-C with an Intact Diterpenoid Skeleton Providing Insights on the Biosynthesis of Antitumor Cephalotaxus Troponoids.","Organic letters","2016","18","8","1880","1883","10.1021/acs.orglett.6b00653","","","1.54178","CuKα","","0.0325","0.0323","","","0.084","0.0843","","","","","","1.092","","","","has coordinates","182530","2020-10-21","18:00:00",""
"1543022","7.1625","0.0002","7.788","0.0002","28.9103","0.0007","90","","90","","90","","1612.66","0.07","153","2","153","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C20 H24 O4 -","- C20 H24 O4 -","- C80 H96 O16 -","4","1","","Ni, Gang; Zhang, Hua; Fan, Yao-Yue; Liu, Hong-Chun; Ding, Jian; Yue, Jian-Min","Mannolides A-C with an Intact Diterpenoid Skeleton Providing Insights on the Biosynthesis of Antitumor Cephalotaxus Troponoids.","Organic letters","2016","18","8","1880","1883","10.1021/acs.orglett.6b00653","","","1.54178","CuKα","","0.036","0.0352","","","0.0992","0.1004","","","","","","1.019","","","","has coordinates,has disorder","182530","2020-10-21","18:00:00",""
"1543023","6.8416","0.0003","7.8031","0.0003","30.6323","0.0013","90","","90","","90","","1635.33","0.12","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C20 H24 O5 -","- C20 H24 O5 -","- C80 H96 O20 -","4","1","","Ni, Gang; Zhang, Hua; Fan, Yao-Yue; Liu, Hong-Chun; Ding, Jian; Yue, Jian-Min","Mannolides A-C with an Intact Diterpenoid Skeleton Providing Insights on the Biosynthesis of Antitumor Cephalotaxus Troponoids.","Organic letters","2016","18","8","1880","1883","10.1021/acs.orglett.6b00653","","","1.54178","CuKα","","0.0455","0.0423","","","0.122","0.1246","","","","","","1.095","","","","has coordinates,has disorder","182530","2020-10-21","18:00:00",""
"1543024","8.2506","0.0002","11.8258","0.0002","16.5504","0.0003","90","","90","","90","","1614.82","0.06","133","2","133","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C20 H24 O5 -","- C20 H24 O5 -","- C80 H96 O20 -","4","1","","Ni, Gang; Zhang, Hua; Fan, Yao-Yue; Liu, Hong-Chun; Ding, Jian; Yue, Jian-Min","Mannolides A-C with an Intact Diterpenoid Skeleton Providing Insights on the Biosynthesis of Antitumor Cephalotaxus Troponoids.","Organic letters","2016","18","8","1880","1883","10.1021/acs.orglett.6b00653","","","1.54178","CuKα","","0.0386","0.0382","","","0.0954","0.0958","","","","","","1.036","","","","has coordinates,has disorder","182530","2020-10-21","18:00:00",""
"1543025","13.4613","0.0005","9.1617","0.0004","23.4678","0.0009","90","","93.249","0.002","90","","2889.6","0.2","133","2","133","2","","","","","","","","3","C 1 2 1","C 2y","5","","","","- C19 H16 O4 -","- C19 H16 O4 -","- C152 H128 O32 -","8","2","","Ni, Gang; Zhang, Hua; Fan, Yao-Yue; Liu, Hong-Chun; Ding, Jian; Yue, Jian-Min","Mannolides A-C with an Intact Diterpenoid Skeleton Providing Insights on the Biosynthesis of Antitumor Cephalotaxus Troponoids.","Organic letters","2016","18","8","1880","1883","10.1021/acs.orglett.6b00653","","","1.54178","CuKα","","0.0379","0.0351","","","0.0896","0.0916","","","","","","1.03","","","","has coordinates","182530","2020-10-21","18:00:00",""
"1543026","19.202","0.004","20.734","0.004","24.321","0.005","93.96","0.03","108.19","0.03","96.25","0.03","9090","4","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","SL_127","","- C176.5 H153.4 B2 F8 N12 O8 Pd2 S2 -","- C176.575 H153.524 B2 F8 N12 O8 Pd2 S2 -","- C353.15 H307.048 B4 F16 N24 O16 Pd4 S4 -","2","1","","Löffler, Susanne; Lübben, Jens; Wuttke, Axel; Mata, Ricardo A.; John, Michael; Dittrich, Birger; Clever, Guido H.","Internal dynamics and guest binding of a sterically overcrowded host","Chem. Sci.","2016","7","7","4676","","10.1039/C6SC00985A","","","0.97896","","","0.1254","0.1071","","","0.3096","0.3285","","","","","","1.388","","","","has coordinates,has disorder","217633","2020-10-21","18:00:00",""
"1543027","15.19","0.003","18.168","0.004","18.77","0.004","64.9","0.03","79.12","0.03","76.17","0.03","4532","2","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","SL_125","","- C185 H173 B2 F8 N14 O6 Pd2 S2 -","- C185.49 H174.025 B2 F8 N14 O6 Pd2 S2 -","- C185.49 H174.025 B2 F8 N14 O6 Pd2 S2 -","1","0.5","","Löffler, Susanne; Lübben, Jens; Wuttke, Axel; Mata, Ricardo A.; John, Michael; Dittrich, Birger; Clever, Guido H.","Internal dynamics and guest binding of a sterically overcrowded host","Chem. Sci.","2016","7","7","4676","","10.1039/C6SC00985A","","","0.97896","","","0.0947","0.0798","","","0.2269","0.2374","","","","","","1.086","","","","has coordinates,has disorder","185109","2020-10-21","18:00:00",""
"1543028","18","0.004","24.665","0.005","25.221","0.005","109.16","0.03","97.62","0.03","100.3","0.03","10184","5","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","SL_123","","- C192 H177 Fe2 N12 O15 Pd2 S4 -","- C192 H177 Fe2 N12 O15 Pd2 S4 -","- C384 H354 Fe4 N24 O30 Pd4 S8 -","2","1","","Löffler, Susanne; Lübben, Jens; Wuttke, Axel; Mata, Ricardo A.; John, Michael; Dittrich, Birger; Clever, Guido H.","Internal dynamics and guest binding of a sterically overcrowded host","Chem. Sci.","2016","7","7","4676","","10.1039/C6SC00985A","","","0.71073","MoKα","","0.1384","0.1178","","","0.2947","0.3137","","","","","","1.164","","","","has coordinates","185109","2020-10-21","18:00:00",""
"1543029","16.196","0.003","16.375","0.003","17.065","0.003","74.2","0.03","62.65","0.03","71.79","0.03","3773.9","1.6","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","SL_ADA1","","- C172 H164 B4 F16 N12 Pd2 -","- C172 H164 B4 F16 N12 Pd2 -","- C172 H164 B4 F16 N12 Pd2 -","1","0.5","","Löffler, Susanne; Lübben, Jens; Wuttke, Axel; Mata, Ricardo A.; John, Michael; Dittrich, Birger; Clever, Guido H.","Internal dynamics and guest binding of a sterically overcrowded host","Chem. Sci.","2016","7","7","4676","","10.1039/C6SC00985A","","","1","","","0.183","0.1421","","","0.3421","0.3767","","","","","","1.28","","","","has coordinates","185109","2020-10-21","18:00:00",""
"1543030","5.8323","0.0004","6.989","0.0004","13.7431","0.0009","97.28","0.002","98.85","0.002","91.576","0.002","548.43","0.06","100","2","100","2","","","","","","","","6","P 1","P 1","1","","","","- C10 H12 B N O4 S -","- C10 H12 B N O4 S -","- C20 H24 B2 N2 O8 S2 -","2","2","","Bandyopadhyay, Anupam; Cambray, Samantha; Gao, Jianmin","Fast and selective labeling of N-terminal cysteines at neutral pH via thiazolidino boronate formation.","Chemical science","2016","7","7","4589","4593","10.1039/C6SC00172F","","","1.54178","CuKα","","0.0261","0.026","","","0.0701","0.0703","","","","","","1.033","","","","has coordinates","190060","2020-10-21","18:00:00",""
"1543032","11.0205","0.0002","11.8811","0.0003","12.7312","0.0002","100.933","0.001","109.704","0.001","101.161","0.001","1479.88","0.05","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","Catena-{tris(mu~2~-1,3-diethyl-2-thiobarbiturato-O,O')}-europium(III)","","- C24 H33 Eu N6 O6 S3 -","- C24 H33 Eu N6 O6 S3 -","- C48 H66 Eu2 N12 O12 S6 -","2","1","","N.N. Golovnev; M.S. Molokeev; S.N. Vereshchagin","Crystal structure and some properties of europium(III) Catena-{tris(1,3-diethyl-2-thiobarbiturate)}","Journal of Structural Chemistry","2016","57","1","167","174","10.1134/S0022476616010200","","","0.71073","MoKα","","0.0353","0.0269","","","0.0633","0.0673","","","","","","0.999","","","","has coordinates,has Fobs","181514","2020-10-21","18:00:00",""
"1543033","22.825","0.003","22.825","0.003","22.825","0.003","90","","90","","90","","11891","3","293","2","293","2","","","","","","","","4","P a -3","-P 2ac 2ab 3","205","","","","- C69 H45 Ir N6 -","- C69 H45 Ir N6 -","- C552 H360 Ir8 N48 -","8","0.333333","","Pan, Long; Xu, Meng-Ying; Feng, Li-Juan; Chen, Qi; He, Yu-Jian; Han, Bao-Hang","Conjugated microporous polycarbazole containing tris(2-phenylpyridine)iridium(iii) complexes: phosphorescence, porosity, and heterogeneous organic photocatalysis","Polym. Chem.","2016","7","12","2299","","10.1039/C5PY01955A","","","0.71073","MoKα","","0.0892","0.0588","","","0.1938","0.2211","","","","","","1.132","","","","has coordinates","181520","2020-10-21","18:00:00",""
"1543034","9.6625","0.0002","21.1407","0.0006","13.3829","0.0003","90","","95.786","0.002","90","","2719.82","0.11","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C24 H49 N O2 Si -","- C24 H49 N O2 Si -","- C96 H196 N4 O8 Si4 -","4","2","","Guignard, Guillaume; Llor, Núria; Molins, Elies; Bosch, Joan; Amat, Mercedes","Enantioselective Total Synthesis of Fluvirucinin B1.","Organic letters","2016","18","8","1788","1791","10.1021/acs.orglett.6b00513","","x-ray","1.54184","CuKα","","0.0878","0.0666","","","0.1759","0.1855","","","","","","1.153","","","","has coordinates,has disorder","182526","2020-10-21","18:00:00",""
"1543035","7.2253","0.0001","13.6771","0.0003","12.9015","0.0002","90","","103.485","0.001","90","","1239.79","0.04","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C30 H35 N3 O2 -","- C30 H35 N3 O2 -","- C60 H70 N6 O4 -","2","1","","Han, Wen Bo; Zhang, Ai Hua; Deng, Xin Zhao; Lei, Xinxiang; Tan, Ren Xiang","Curindolizine, an Anti-Inflammatory Agent Assembled via Michael Addition of Pyrrole Alkaloids Inside Fungal Cells.","Organic letters","2016","18","8","1816","1819","10.1021/acs.orglett.6b00549","","","1.54178","CuKα","","0.0367","0.0359","","","0.0957","0.0965","","","","","","1.033","","","","has coordinates","182528","2020-10-21","18:00:00",""
"1543036","7.9708","0.0004","10.4075","0.0006","11.9312","0.0007","90","","95.083","0.002","90","","985.87","0.1","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C10 H14 N O2.5 -","- C10 H14 N O2.5 -","- C40 H56 N4 O10 -","4","2","","Han, Wen Bo; Zhang, Ai Hua; Deng, Xin Zhao; Lei, Xinxiang; Tan, Ren Xiang","Curindolizine, an Anti-Inflammatory Agent Assembled via Michael Addition of Pyrrole Alkaloids Inside Fungal Cells.","Organic letters","2016","18","8","1816","1819","10.1021/acs.orglett.6b00549","","","1.54178","CuKα","","0.0348","0.0346","","","0.0842","0.0847","","","","","","1.093","","","","has coordinates","182528","2020-10-21","18:00:00",""
"1543037","7.6398","0.0003","10.8372","0.0011","25.982","0.004","90","","92.478","0.005","90","","2149.1","0.4","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","<i>cis</i>-Diammine[3-(3-chloro-7-methoxy-9,10-dihydroacridin-9-ylideneamino)propan-1-amine-κ^2^<i>N</i>,<i>N</i>']platinum(II) dinitrate","","- C17 H24 Cl N7 O7 Pt -","- C17 H24 Cl N7 O7 Pt -","- C68 H96 Cl4 N28 O28 Pt4 -","4","1","XU4005","Cheun, Young; Lee, Seongmin","<i>cis</i>-Diammine[3-(3-chloro-7-methoxy-9,10-dihydroacridin-9-ylideneamino)propan-1-amine-κ^2^<i>N</i>,<i>N</i>']platinum(II) dinitrate","IUCrData","2016","1","4","x160481","","10.1107/S2414314616004818","","","1.54184","CuKα","","0.0822","0.059","","","0.1388","0.1547","","","","","","1.038","","","","has coordinates,has Fobs","182548","2020-10-21","18:00:00",""
"1543038","14.824","0.003","8.2946","0.0017","16.924","0.003","90","","90","","90","","2081","0.7","293","2","293","2","","","","","","","","5","P n a 21","P 2c -2n","33","","1-[6-Chloro-2-(phenanthren-9-yl)quinolin-4-yl]pyrrolidin-2-one","","- C27 H19 Cl N2 O -","- C27 H19 Cl N2 O -","- C108 H76 Cl4 N8 O4 -","4","1","BH4004","Raja, Rajamani; Kandhasamy, Subramani; Narayanan, Uma Maheswari; Perumal, Paramasivam T.; Dhanapal, Ramu","1-[6-Chloro-2-(phenanthren-9-yl)quinolin-4-yl]pyrrolidin-2-one","IUCrData","2016","1","4","x160529","","10.1107/S2414314616005290","","","0.71073","MoKα","","0.0517","0.0344","","","0.0819","0.0934","","","","","","1.055","","","","has coordinates,has Fobs","181831","2020-10-21","18:00:00",""
"1543039","15.1498","0.0003","7.4949","0.0002","16.4795","0.0003","90","","90","","90","","1871.19","0.07","296","2","296","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","1,1'-(Hexane-1,6-diyl)bis(indoline-2,3-dione)","","- C22 H20 N2 O4 -","- C22 H20 N2 O4 -","- C88 H80 N8 O16 -","4","0.5","BT4003","Qachchachi, Fatima Zahrae; Kandri Rodi, Youssef; Haoudi, Amal; Essassi, El Mokhtar; Capet, Frédéric; Zouihri, Hafid","1,1'-(Hexane-1,6-diyl)bis(indoline-2,3-dione)","IUCrData","2016","1","4","x160542","","10.1107/S2414314616005423","","","0.71073","MoKα","","0.0772","0.0534","","","0.1502","0.1708","","","","","","1.03","","","","has coordinates,has Fobs","181832","2020-10-21","18:00:00",""
"1543040","9.8513","0.0002","15.0619","0.0002","28.931","0.0004","90","","90","","90","","4292.76","0.12","150","2","150","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","5-Acetyl-2-{[(1<i>H</i>-benzimidazol-2-yl)methyl]sulfanyl}-4-(4-methoxyphenyl)-6-methylpyridine-3-carbonitrile","","- C24 H20 N4 O2 S -","- C24 H20 N4 O2 S -","- C192 H160 N32 O16 S8 -","8","1","SJ4017","Mague, Joel T.; Mohamed, Shaaban K.; Akkurt, Mehmet; Ahmed, Gamal A.-W.; Albayati, Mustafa R.","5-Acetyl-2-{[(1<i>H</i>-benzimidazol-2-yl)methyl]sulfanyl}-4-(4-methoxyphenyl)-6-methylpyridine-3-carbonitrile","IUCrData","2016","1","4","x160492","","10.1107/S2414314616004922","","","1.54178","CuKα","","0.0393","0.0339","","","0.0869","0.0909","","","","","","1.023","","","","has coordinates,has Fobs","181833","2020-10-21","18:00:00",""
"1543041","5.9498","0.0002","8.0999","0.0002","16.3919","0.0004","85.99","0.001","81.41","0.001","82.294","0.001","773.05","0.04","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","Ethyl 4-(4-chlorophenyl)-5-cyano-2-methyl-6-sulfanylidene-1,6-dihydropyridine-3-carboxylate","","- C16 H13 Cl N2 O2 S -","- C16 H13 Cl N2 O2 S -","- C32 H26 Cl2 N4 O4 S2 -","2","1","SU4024","Mague, Joel T.; Mohamed, Shaaban K.; Akkurt, Mehmet; Bakhite, Etify A.; Albayati, Mustafa R.","Ethyl 4-(4-chlorophenyl)-5-cyano-2-methyl-6-sulfanylidene-1,6-dihydropyridine-3-carboxylate","IUCrData","2016","1","4","x160531","","10.1107/S2414314616005319","","","1.54178","CuKα","","0.0408","0.0373","","","0.1018","0.1052","","","","","","1.05","","","","has coordinates,has Fobs","181834","2020-10-21","18:00:00",""
"1543042","4.54371","0.00018","11.6697","0.0006","15.5677","0.0008","90.8429","0.0014","98.1733","0.0018","100.344","0.0011","803.11","0.07","173","","173","","","","","","","","","6","P -1","-P 1","2","","Bis[<i>S</i>-hexyl (<i>E</i>)-3-(4-methoxybenzylidene)dithiocarbazato-κ^2^<i>N</i>^3^,<i>S</i>]palladium(II)","","- C30 H42 N4 O2 Pd S4 -","- C30 H42 N4 O2 Pd S4 -","- C30 H42 N4 O2 Pd S4 -","1","0.5","","Zangrando, E.; Begum, M. S.; Howlader, M. B. H.; Sheikh, M. C.; Miyatake, R.","Bis[<i>S</i>-hexyl (<i>E</i>)-3-(4-methoxybenzylidene)dithiocarbazato-κ^2^<i>N</i>^3^,<i>S</i>]palladium(II)","IUCrData","2016","1","4","x160521","","10.1107/S2414314616005216","","","0.71075","MoKα","","","0.0214","","","","0.0567","","","","","","1.15","","","","has coordinates,has Fobs","181835","2020-10-21","18:00:00",""
"1543043","9.41","0.005","9.667","0.005","25.285","0.005","90","","90","","90","","2300.1","1.8","298","2","298","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(1<i>S</i>,3<i>R</i>,8<i>R</i>,9<i>S</i>,10<i>R</i>)-2,2-Dichloro-3,7,7,10-tetramethyltricyclo[6.4.0.0^1,3^]dodecan-9-yl 4-methylbenzene-1-sulfonate","","- C23 H32 Cl2 O3 S -","- C23 H32 Cl2 O3 S -","- C92 H128 Cl8 O12 S4 -","4","1","HB4024","Benharref, Ahmed; El Ammari, Lahcen; Saadi, Mohamed; Oukhrib, Abdelouahd; Berraho, Moha","(1<i>S</i>,3<i>R</i>,8<i>R</i>,9<i>S</i>,10<i>R</i>)-2,2-Dichloro-3,7,7,10-tetramethyltricyclo[6.4.0.0^1,3^]dodecan-9-yl 4-methylbenzene-1-sulfonate","IUCrData","2016","1","4","x160422","","10.1107/S2414314616004223","","","0.71073","MoKα","","0.0369","0.03","","","0.0665","0.0687","","","","","","0.966","","","","has coordinates,has Fobs","181836","2020-10-21","18:00:00",""
"1543044","16.7707","0.0005","12.8886","0.0003","24.1907","0.0006","90","","90","","90","","5228.8","0.2","180","2","180.15","","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C50 H39 Cl10 N7 O8 Ru -","- C50 H39 Cl10 N7 O8 Ru -","- C200 H156 Cl40 N28 O32 Ru4 -","4","1","","Zhu, Ben-Zhan; Chao, Xi-Juan; Huang, Chun-Hua; Li, Yan","Delivering the cell-impermeable DNA ‘light-switching’ Ru(ii) complexes preferentially into live-cell nucleus via an unprecedented ion-pairing method","Chem. Sci.","2016","7","7","4016","","10.1039/C5SC03796D","","","0.71073","MoKα","","0.0353","0.0314","","","0.0755","0.0783","","","","","","1.088","","","","has coordinates","185118","2020-10-21","18:00:00",""
"1543045","29.815","0.016","4.718","0.002","8.617","0.005","90","","90","","90","","1212.1","1.1","120","2","120","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C14 H12 N4 O2 -","- C14 H12 N4 O2 -","- C56 H48 N16 O8 -","4","1","","Wang, Huan; Hesek, Dusan; Lee, Mijoon; Lastochkin, Elena; Oliver, Allen G.; Chang, Mayland; Mobashery, Shahriar","The Natural Product Essramycin and Three of Its Isomers Are Devoid of Antibacterial Activity.","Journal of natural products","2016","79","4","1219","1222","10.1021/acs.jnatprod.6b00057","","","0.71073","MoKα","","0.0823","0.0569","","","0.125","0.1327","","","","","","1.042","","","","has coordinates","183580","2020-10-21","18:00:00",""
"1543046","5.5805","0.0002","8.5947","0.0004","25.896","0.0011","90","","93.211","0.002","90","","1240.09","0.09","120","2","120","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C14 H12 N4 O2 -","- C14 H12 N4 O2 -","- C56 H48 N16 O8 -","4","1","","Wang, Huan; Hesek, Dusan; Lee, Mijoon; Lastochkin, Elena; Oliver, Allen G.; Chang, Mayland; Mobashery, Shahriar","The Natural Product Essramycin and Three of Its Isomers Are Devoid of Antibacterial Activity.","Journal of natural products","2016","79","4","1219","1222","10.1021/acs.jnatprod.6b00057","","","1.54184","CuKα","","0.0453","0.0432","","","0.1145","0.1158","","","","","","1.086","","","","has coordinates","183580","2020-10-21","18:00:00",""
"1543047","11.0776","0.0012","15.1099","0.0016","7.6255","0.0008","90","","108","0.001","90","","1213.9","0.2","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H12 N4 O2 -","- C14 H12 N4 O2 -","- C56 H48 N16 O8 -","4","1","","Wang, Huan; Hesek, Dusan; Lee, Mijoon; Lastochkin, Elena; Oliver, Allen G.; Chang, Mayland; Mobashery, Shahriar","The Natural Product Essramycin and Three of Its Isomers Are Devoid of Antibacterial Activity.","Journal of natural products","2016","79","4","1219","1222","10.1021/acs.jnatprod.6b00057","","","0.71073","MoKα","","0.0385","0.036","","","0.0975","0.1001","","","","","","1.036","","","","has coordinates","183580","2020-10-21","18:00:00",""
"1543048","8.725","0.002","21.909","0.009","11.242","0.004","90","","97.7","0.02","90","","2129.6","1.3","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C23 H24 N4 O3 -","- C23 H24 N4 O3 -","- C92 H96 N16 O12 -","4","1","","Ievlev, Mikhail Yu; Ershov, Oleg V.; Tafeenko, Viktor A.","Diastereoselective Cascade Assembly of Functionalized Pyrano[3,4-c]pyrrole Derivatives.","Organic letters","2016","18","8","1940","1943","10.1021/acs.orglett.6b00867","","","1.54178","CuKα","","0.1101","0.0409","","","0.1029","0.1324","","","","","","0.978","","","","has coordinates","182525","2020-10-21","18:00:00",""
"1543049","9.0546","0.0004","11.0539","0.0004","12.5393","0.0005","82.698","0.003","74.104","0.003","71.775","0.003","1145.32","0.08","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H26 N4 O4 S -","- C22 H26 N4 O4 S -","- C44 H52 N8 O8 S2 -","2","1","","Ievlev, Mikhail Yu; Ershov, Oleg V.; Tafeenko, Viktor A.","Diastereoselective Cascade Assembly of Functionalized Pyrano[3,4-c]pyrrole Derivatives.","Organic letters","2016","18","8","1940","1943","10.1021/acs.orglett.6b00867","","","1.54186","CuKα","","0.0675","0.0574","","","0.1353","0.1421","","","","","","1.026","","","","has coordinates","182525","2020-10-21","18:00:00",""
"1543050","11.3656","0.0004","11.969","0.0005","13.0198","0.0004","80.827","0.003","85.462","0.003","76.099","0.003","1695.75","0.11","295","2","295","","","","","","","","","4","P -1","-P 1","2","","","","- C17 H20 N4 O2 -","- C17 H20 N4 O2 -","- C68 H80 N16 O8 -","4","2","","Ievlev, Mikhail Yu; Ershov, Oleg V.; Tafeenko, Viktor A.","Diastereoselective Cascade Assembly of Functionalized Pyrano[3,4-c]pyrrole Derivatives.","Organic letters","2016","18","8","1940","1943","10.1021/acs.orglett.6b00867","","","1.54186","CuKα","","0.0671","0.0561","","","0.1628","0.1703","","","","","","1.079","","","","has coordinates","182525","2020-10-21","18:00:00",""
"1543057","16.9274","0.0004","16.3647","0.0004","20.8867","0.0006","90","","103.701","0.003","90","","5621.2","0.3","150.01","0.1","150.01","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H44 N4 O6 S -","- C24 H44 N4 O6 S -","- C192 H352 N32 O48 S8 -","8","2","","Hiscock, Jennifer R.; Bustone, Gianluca P.; Wilson, Ben; Belsey, Kate E.; Blackholly, Laura R.","In situ modification of nanostructure configuration through the manipulation of hydrogen bonded amphiphile self-association.","Soft matter","2016","12","18","4221","","10.1039/c6sm00529b","","x-ray","1.54184","CuKα","","0.0744","0.051","","","0.1338","0.1429","","","","","","0.967","","","","has coordinates,has disorder","182804","2020-10-21","18:00:00",""
"1543058","9.22908","0.00018","7.25364","0.00012","38.9707","0.0009","90","","95.7583","0.0019","90","","2595.71","0.09","100","0.1","100","0.1","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C18 H20 F6 K2 N4 O10 S2 -","- C18 H20 F6 K2 N4 O10 S2 -","- C72 H80 F24 K8 N16 O40 S8 -","4","1","","Hiscock, Jennifer R.; Bustone, Gianluca P.; Wilson, Ben; Belsey, Kate E.; Blackholly, Laura R.","In situ modification of nanostructure configuration through the manipulation of hydrogen bonded amphiphile self-association.","Soft matter","2016","12","18","4221","","10.1039/c6sm00529b","","x-ray","1.54184","CuKα","","0.0479","0.0418","","","0.1007","0.104","","","","","","1.103","","","","has coordinates","182804","2020-10-21","18:00:00",""
"1543062","14.527","0.004","10.721","0.003","36.004","0.01","90","","97.459","0.003","90","","5560","3","223.15","","223.15","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","<i>N</i>^4^,<i>N</i>^5^,<i>N</i>^9^,<i>N</i>^10^-Tetrakis(2,6-diisopropylphenyl)pyrene-4,5,9,10-tetraimine","","- C64 H74 N4 -","- C64 H74 N4 -","- C256 H296 N16 -","4","1","","Williams, Owen M.; Cowley, Alan H.","(4<i>Z</i>,5<i>E</i>,9<i>E</i>,10<i>Z</i>)-<i>N</i>^4^,<i>N</i>^5^,<i>N</i>^9^,<i>N</i>^10^-Tetrakis(2,6-diisopropylphenyl)pyrene-4,5,9,10-tetraimine","IUCrData","2016","1","4","x160484","","10.1107/S2414314616004843","","","0.71075","MoKα","","0.0867","0.0637","","","0.1556","0.1745","","","","","","1.063","","","","has coordinates,has Fobs","181997","2020-10-21","18:00:00",""
"1543063","4.5205","0.0001","13.4538","0.0003","21.0436","0.0005","90","","90","","90","","1279.83","0.05","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","1-Benzyl-5-bromoindoline-2,3-dione","","- C15 H10 Br N O2 -","- C15 H10 Br N O2 -","- C60 H40 Br4 N4 O8 -","4","1","BT4004","Kharbach, Yassine; Kandri Rodi, Youssef; Renard, Catherine; Essassi, El Mokhtar; El Ammari, Lahcen","1-Benzyl-5-bromoindoline-2,3-dione","IUCrData","2016","1","4","x160559","","10.1107/S2414314616005599","","","0.71073","MoKα","","0.0321","0.0256","","","0.0563","0.0577","","","","","","1.064","","","","has coordinates,has Fobs","181998","2020-10-21","18:00:00",""
"1543064","15.984","0.0019","4.8453","0.0003","23.071","0.003","90","","93.835","0.009","90","","1782.8","0.3","203","2","203","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(<i>E</i>)-2-[(Pyren-1-ylimino)methyl]quinolin-8-ol","","- C26 H16 N2 O -","- C26 H16 N2 O -","- C104 H64 N8 O4 -","4","1","","Mukherjee, Soma; Talukder, Shrabani; Stoeckli-Evans, Helen","(<i>E</i>)-2-[(Pyren-1-ylimino)methyl]quinolin-8-ol","IUCrData","2016","1","4","x160543","","10.1107/S2414314616005435","","","0.71073","MoKα","","0.0842","0.04","","","0.0818","0.0934","","","","","","0.879","","","","has coordinates,has Fobs","181999","2020-10-21","18:00:00",""
"1543065","9.4796","0.0015","7.155","0.0012","13.651","0.002","90","","90.968","0.004","90","","925.8","0.3","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","(1<i>R</i>,2<i>R</i>)-8-Bromo-1-[(<i>E</i>)-2-(4-bromophenyl)ethenyl]-2-nitro-1,2-dihydronaphtho[2,1-<i>b</i>]furan","","- C20 H13 Br2 N O3 -","- C20 H13 Br2 N O3 -","- C40 H26 Br4 N2 O6 -","2","1","PK4003","Fang, Xiaoqin; Wang, Yifeng","(1<i>R</i>,2<i>R</i>)-8-Bromo-1-[(<i>E</i>)-2-(4-bromophenyl)ethenyl]-2-nitro-1,2-dihydronaphtho[2,1-<i>b</i>]furan","IUCrData","2016","1","4","x160515","","10.1107/S2414314616005150","","","0.71073","MoKα","","0.0518","0.0411","","","0.0885","0.0934","","","","","","0.972","","","","has coordinates,has Fobs","182000","2020-10-21","18:00:00",""
"1543066","9.9172","0.0005","10.001","0.0005","10.4124","0.0005","86.863","0.004","84.173","0.004","66.037","0.004","938.73","0.09","173","2","173","2","","","","","","","","5","P 1","P 1","1","","<i>N</i>'-[(1<i>S</i>,3<i>R</i>,8<i>R</i>)-2,2-Dichloro-3,7,7,10-tetramethyltricyclo[6.4.0.0^1,3^]dodecan-11-yl]acetohydrazide","","- C18 H26 Cl2 N2 O -","- C18 H26 Cl2 N2 O -","- C36 H52 Cl4 N4 O2 -","2","2","SU4028","Benharref, Ahmed; Oukhrib, Abdelouhed; Ait Elhad, Mustapha; Daran, Jean-Claude; Berraho, Moha","<i>N</i>'-[(1<i>S</i>,3<i>R</i>,8<i>R</i>)-2,2-Dichloro-3,7,7,10-tetramethyltricyclo[6.4.0.0^1,3^]dodecan-11-yl]acetohydrazide","IUCrData","2016","1","4","x160554","","10.1107/S241431461600554X","","","0.71073","MoKα","","0.0554","0.0534","","","0.1432","0.1456","","","","","","1.063","","","","has coordinates,has Fobs","182001","2020-10-21","18:00:00",""
"1543067","7.8922","0.0004","12.0779","0.0007","13.8862","0.0007","67.02","0.005","84.303","0.004","85.759","0.004","1211.69","0.12","180","0.14","180","0.14","","","","","","","","6","P -1","-P 1","2","","","","- C27 H30 B F4 N3 O2 -","- C27 H30 B F4 N3 O2 -","- C54 H60 B2 F8 N6 O4 -","2","1","","Delgado, I. Hernández; Pascal, S.; Wallabregue, A.; Duwald, R.; Besnard, C.; Guénée, L.; Nançoz, C.; Vauthey, E.; Tovar, R. C.; Lunkley, J. L.; Muller, G.; Lacour, J.","Functionalized cationic [4]helicenes with unique tuning of absorption, fluorescence and chiroptical properties up to the far-red range","Chem. Sci.","2016","7","7","4685","","10.1039/C6SC00614K","","x-ray","1.54184","CuKα","","0.0566","0.0403","","","0.0904","0.0977","","","","","","0.96","","","","has coordinates","185110","2020-10-21","18:00:00",""
"1543068","22.69881","0.00019","21.08434","0.00017","10.5946","0.00009","90","","90","","90","","5070.46","0.07","180","0.14","180","0.14","","","","","","","","6","P n 21 a","P -2ac -2n","33","","","","- C28 H29 B F4 N2 O3 -","- C28 H29 B F4 N2 O3 -","- C224 H232 B8 F32 N16 O24 -","8","2","","Delgado, I. Hernández; Pascal, S.; Wallabregue, A.; Duwald, R.; Besnard, C.; Guénée, L.; Nançoz, C.; Vauthey, E.; Tovar, R. C.; Lunkley, J. L.; Muller, G.; Lacour, J.","Functionalized cationic [4]helicenes with unique tuning of absorption, fluorescence and chiroptical properties up to the far-red range","Chem. Sci.","2016","7","7","4685","","10.1039/C6SC00614K","","x-ray","1.5418","CuKα","","0.0546","0.051","","","0.148","0.1533","","","","","","1.033","","","","has coordinates,has disorder","185110","2020-10-21","18:00:00",""
"1543069","7.9972","0.0004","20.6791","0.0007","13.5143","0.0004","90","","90.901","0.003","90","","2234.65","0.15","180","0.14","180","0.14","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C27 H29 Cl N2 O3 -","- C27 H29 Cl N2 O3 -","- C108 H116 Cl4 N8 O12 -","4","1","","Delgado, I. Hernández; Pascal, S.; Wallabregue, A.; Duwald, R.; Besnard, C.; Guénée, L.; Nançoz, C.; Vauthey, E.; Tovar, R. C.; Lunkley, J. L.; Muller, G.; Lacour, J.","Functionalized cationic [4]helicenes with unique tuning of absorption, fluorescence and chiroptical properties up to the far-red range","Chem. Sci.","2016","7","7","4685","","10.1039/C6SC00614K","","x-ray","1.5418","CuKα","","0.0733","0.0545","","","0.1508","0.1636","","","","","","1.046","","","","has coordinates","185110","2020-10-21","18:00:00",""
"1543070","10.9867","0.0006","12.0208","0.0006","13.2458","0.0008","82.687","0.005","66.161","0.006","79.273","0.005","1569.51","0.17","180","0.14","180","0.14","","","","","","","","7","P -1","-P 1","2","","","","- C31 H35 B Cl2 F4 N2 O4 -","- C31 H35 B Cl2 F4 N2 O4 -","- C62 H70 B2 Cl4 F8 N4 O8 -","2","1","","Delgado, I. Hernández; Pascal, S.; Wallabregue, A.; Duwald, R.; Besnard, C.; Guénée, L.; Nançoz, C.; Vauthey, E.; Tovar, R. C.; Lunkley, J. L.; Muller, G.; Lacour, J.","Functionalized cationic [4]helicenes with unique tuning of absorption, fluorescence and chiroptical properties up to the far-red range","Chem. Sci.","2016","7","7","4685","","10.1039/C6SC00614K","","x-ray","1.54184","CuKα","","0.0545","0.0502","","","0.132","0.1362","","","","","","1.067","","","","has coordinates","185110","2020-10-21","18:00:00",""
"1543071","8.8012","0.0003","13.0835","0.0004","14.2973","0.0004","108.555","0.003","106.512","0.003","97.631","0.003","1450.56","0.09","179.95","0.1","179.95","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C31 H36 B F4 N3 O3 -","- C31 H36 B F4 N3 O3 -","- C62 H72 B2 F8 N6 O6 -","2","1","","Delgado, I. Hernández; Pascal, S.; Wallabregue, A.; Duwald, R.; Besnard, C.; Guénée, L.; Nançoz, C.; Vauthey, E.; Tovar, R. C.; Lunkley, J. L.; Muller, G.; Lacour, J.","Functionalized cationic [4]helicenes with unique tuning of absorption, fluorescence and chiroptical properties up to the far-red range","Chem. Sci.","2016","7","7","4685","","10.1039/C6SC00614K","","x-ray","1.54184","CuKα","","0.048","0.0421","","","0.1129","0.1179","","","","","","1.063","","","","has coordinates,has disorder","185110","2020-10-21","18:00:00",""
"1543072","11.0563","0.0003","13.288","0.0004","14.0408","0.0005","115.683","0.003","92.594","0.003","112.243","0.003","1665.64","0.12","180","0.14","180","0.14","","","","","","","","6","P -1","-P 1","2","","","","- C35.5 H42 B F4 N3 O3 -","- C35.5 H42 B F4 N3 O3 -","- C71 H84 B2 F8 N6 O6 -","2","1","","Delgado, I. Hernández; Pascal, S.; Wallabregue, A.; Duwald, R.; Besnard, C.; Guénée, L.; Nançoz, C.; Vauthey, E.; Tovar, R. C.; Lunkley, J. L.; Muller, G.; Lacour, J.","Functionalized cationic [4]helicenes with unique tuning of absorption, fluorescence and chiroptical properties up to the far-red range","Chem. Sci.","2016","7","7","4685","","10.1039/C6SC00614K","","x-ray","1.5418","CuKα","","0.0631","0.0574","","","0.1675","0.1748","","","","","","1.049","","","","has coordinates,has disorder","185110","2020-10-21","18:00:00",""
"1543073","11.1714","0.0006","11.8849","0.0006","13.3323","0.0007","84.422","0.004","65.83","0.005","79.905","0.004","1589.32","0.16","180","2","180.15","","","","","","","","","8","P -1","-P 1","2","","","","- C31 H35 B Cl2 F4 N2 O3 S -","- C31 H35 B Cl2 F4 N2 O3 S -","- C62 H70 B2 Cl4 F8 N4 O6 S2 -","2","1","","Delgado, I. Hernández; Pascal, S.; Wallabregue, A.; Duwald, R.; Besnard, C.; Guénée, L.; Nançoz, C.; Vauthey, E.; Tovar, R. C.; Lunkley, J. L.; Muller, G.; Lacour, J.","Functionalized cationic [4]helicenes with unique tuning of absorption, fluorescence and chiroptical properties up to the far-red range","Chem. Sci.","2016","7","7","4685","","10.1039/C6SC00614K","","x-ray","1.54184","CuKα","","0.0643","0.061","","","0.175","0.1786","","","","","","1.066","","","","has coordinates","185110","2020-10-21","18:00:00",""
"1543074","7.8446","0.0004","12.7594","0.0007","13.7549","0.0008","69.935","0.005","78.524","0.005","82.802","0.005","1264.91","0.13","180","0.14","180","0.14","","","","","","","","6","P -1","-P 1","2","","","","- C28 H31 B F4 N2 O3 -","- C28 H31 B F4 N2 O3 -","- C56 H62 B2 F8 N4 O6 -","2","1","","Delgado, I. Hernández; Pascal, S.; Wallabregue, A.; Duwald, R.; Besnard, C.; Guénée, L.; Nançoz, C.; Vauthey, E.; Tovar, R. C.; Lunkley, J. L.; Muller, G.; Lacour, J.","Functionalized cationic [4]helicenes with unique tuning of absorption, fluorescence and chiroptical properties up to the far-red range","Chem. Sci.","2016","7","7","4685","","10.1039/C6SC00614K","","x-ray","1.5418","CuKα","","0.0615","0.0468","","","0.1223","0.1349","","","","","","1.026","","","","has coordinates","185110","2020-10-21","18:00:00",""
"1543075","10.025","0.0005","19.7722","0.0008","12.5456","0.0006","90","","95.411","0.004","90","","2475.7","0.2","180","2","180","2","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C27 H29 B F4 N2 O2 -","- C27 H29 B F4 N2 O2 -","- C108 H116 B4 F16 N8 O8 -","4","0.5","","Delgado, I. Hernández; Pascal, S.; Wallabregue, A.; Duwald, R.; Besnard, C.; Guénée, L.; Nançoz, C.; Vauthey, E.; Tovar, R. C.; Lunkley, J. L.; Muller, G.; Lacour, J.","Functionalized cationic [4]helicenes with unique tuning of absorption, fluorescence and chiroptical properties up to the far-red range","Chem. Sci.","2016","7","7","4685","","10.1039/C6SC00614K","","x-ray","1.54184","CuKα","","0.0705","0.0621","","","0.1794","0.1905","","","","","","1.067","","","","has coordinates,has disorder","185110","2020-10-21","18:00:00",""
"1543076","11.8159","0.0007","14.3381","0.0007","17.9959","0.0009","78.648","0.004","84.294","0.004","66.016","0.005","2730.4","0.3","179","2","179","2","","","","","","","","4","P -1","-P 1","2","","","","- C27 H29 N5 O10 -","- C27 H29 N5 O10 -","- C108 H116 N20 O40 -","4","2","","Delgado, I. Hernández; Pascal, S.; Wallabregue, A.; Duwald, R.; Besnard, C.; Guénée, L.; Nançoz, C.; Vauthey, E.; Tovar, R. C.; Lunkley, J. L.; Muller, G.; Lacour, J.","Functionalized cationic [4]helicenes with unique tuning of absorption, fluorescence and chiroptical properties up to the far-red range","Chem. Sci.","2016","7","7","4685","","10.1039/C6SC00614K","","x-ray","1.5418","CuKα","","0.0466","0.0407","","","0.1164","0.1227","","","","","","1.052","","","","has coordinates","185110","2020-10-21","18:00:00",""
"1543077","11.1685","0.0011","12.4485","0.0012","18.1823","0.0018","77.032","0.004","82.429","0.004","89.334","0.004","2441.5","0.4","100","2","100.15","","","","","","","","","5","P -1","-P 1","2","","","","- C98 H112 Cl4 Ni6 S12 -","- C98 H112 Cl4 Ni6 S12 -","- C98 H112 Cl4 Ni6 S12 -","1","0.5","","Joya, Khurram S.; Sinatra, Lutfan; AbdulHalim, Lina G.; Joshi, Chakra P.; Hedhili, M. N.; Bakr, Osman M.; Hussain, Irshad","Atomically monodisperse nickel nanoclusters as highly active electrocatalysts for water oxidation.","Nanoscale","2016","8","18","9695","9703","10.1039/c6nr00709k","","","1.54178","CuKα","","0.0564","0.052","","","0.145","0.1519","","","","","","1.063","","","","has coordinates,has disorder","183717","2020-10-21","18:00:00",""
"1543078","12.957","0.0009","15.3918","0.001","16.9527","0.0011","86.571","0.002","70.541","0.002","73.4","0.002","3052.6","0.4","140","1","140","1","","","","","","","","4","P -1","-P 1","2","","","","- C64 H72 Ni4 S8 -","- C64 H72 Ni4 S8 -","- C128 H144 Ni8 S16 -","2","1","","Joya, Khurram S.; Sinatra, Lutfan; AbdulHalim, Lina G.; Joshi, Chakra P.; Hedhili, M. N.; Bakr, Osman M.; Hussain, Irshad","Atomically monodisperse nickel nanoclusters as highly active electrocatalysts for water oxidation.","Nanoscale","2016","8","18","9695","9703","10.1039/c6nr00709k","","","1.54178","CuKα","","0.026","0.0244","","","0.0626","0.0639","","","","","","1.025","","","","has coordinates","183717","2020-10-21","18:00:00",""
"1543082","5.4311","0.0005","13.6861","0.0015","27.34","0.004","90","","90","","90","","2032.2","0.4","296","1","296","1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","Diaqua(nitrato-κ^2^<i>O</i>,<i>O</i>')bis(<i>L</i>-valine-κ<i>O</i>)lead(II) nitrate","","- C10 H26 N4 O12 Pb -","- C10 H26 N4 O12 Pb -","- C40 H104 N16 O48 Pb4 -","4","1","PJ4001","Bernès, Sylvain; Gasque, Laura","Diaqua(nitrato-κ^2^<i>O</i>,<i>O</i>')bis(<small>L</small>-valine-κ<i>O</i>)lead(II) nitrate at 296K","IUCrData","2016","1","4","x160539","","10.1107/S2414314616005393","","","0.71073","MoKα","","0.0617","0.0437","","","0.1042","0.116","","","","","","1.022","","","","has coordinates,has disorder,has Fobs","182043","2020-10-21","18:00:00",""
"1543083","15.8392","0.0013","12.9075","0.001","10.3997","0.0008","90","","103.354","0.008","90","","2068.7","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(4<i>Z</i>)-2-Phenyl-1-{(<i>E</i>)-[4-(propan-2-yl)benzylidene]amino}-4-[(thiophen-2-yl)methylidene]-1<i>H</i>-imidazol-5(4<i>H</i>)-one","","- C24 H21 N3 O S -","- C24 H21 N3 O S -","- C96 H84 N12 O4 S4 -","4","1","","Kamni; Singh, Vikram D.; Subbulakshmi, K. N.; Narayana, B.; Sarojini, B. K.; Anthal, Sumati; Kant, Rajni","(4<i>Z</i>)-2-Phenyl-1-{(<i>E</i>)-[4-(propan-2-yl)benzylidene]amino}-4-[(thiophen-2-yl)methylidene]-1<i>H</i>-imidazol-5(4<i>H</i>)-one","IUCrData","2016","1","4","x160587","","10.1107/S2414314616005873","","","0.71073","MoKα","","0.1203","0.0743","","","0.2092","0.2469","","","","","","1.047","","","","has coordinates,has Fobs","182044","2020-10-21","18:00:00",""
"1543084","9.8263","0.0004","7.4617","0.0002","11.9888","0.0004","90","","91.956","0.001","90","","878.52","0.05","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","","5-Ferrocenylmethyl-2,2-dimethyl-5-(prop-2-ynyl)-1,3-dioxane-4,6-dione","","- C20 H20 Fe O4 -","- C20 H20 Fe O4 -","- C40 H40 Fe2 O8 -","2","1","WM4012","Naier, Benjamin; Laus, Gerhard; Wurst, Klaus; Schottenberger, Herwig","5-Ferrocenylmethyl-2,2-dimethyl-5-(prop-2-ynyl)-1,3-dioxane-4,6-dione","IUCrData","2016","1","4","x160569","","10.1107/S2414314616005691","","","0.71073","MoKα","","0.0235","0.0212","","","0.0511","0.0521","","","","","","1.046","","","","has coordinates,has Fobs","182045","2020-10-21","18:00:00",""
"1543085","7.957","0.005","10.796","0.005","13.673","0.005","90","","90","","90","","1174.6","1","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(3a<i>R</i>,6<i>R</i>)-3,3,6-Trimethyl-3,3a,4,5,6,7-hexahydro-2<i>H</i>-indazole-2-carbothioamide","","- C11 H19 N3 S -","- C11 H19 N3 S -","- C44 H76 N12 S4 -","4","1","SU4023","N'Ait Ousidi, Abdellah; Ait Itto, My Youssef; Auhmani, Aziz; Riahi, Abdelkhalek; Chevreux, Sylviane; Berraho, Moha","(3a<i>R</i>,6<i>R</i>)-3,3,6-Trimethyl-3,3a,4,5,6,7-hexahydro-2<i>H</i>-indazole-2-carbothioamide","IUCrData","2016","1","4","x160573","","10.1107/S2414314616005733","","","1.5418","CuKα","","0.0213","0.0209","","","0.0537","0.0541","","","","","","1.056","","","","has coordinates,has Fobs","182046","2020-10-21","18:00:00",""
"1543086","20.6796","0.0018","5.4004","0.0004","17.2537","0.0016","90","","104.299","0.009","90","","1867.2","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(4<i>Z</i>)-1-[(<i>E</i>)-(4-Methoxybenzylidene)amino]-2-phenyl-4-[(thiophen-2-yl)methylidene]-1<i>H</i>-imidazol-5(4<i>H</i>)-one","","- C22 H17 N3 O2 S -","- C22 H17 N3 O2 S -","- C88 H68 N12 O8 S4 -","4","1","","Singh, Vikram D.; Kamni; Subbulakshmi, K. N.; Narayana, B.; Sarojini, B. K.; Anthal, Sumati; Kant, Rajni","(4<i>Z</i>)-1-[(<i>E</i>)-(4-Methoxybenzylidene)amino]-2-phenyl-4-[(thiophen-2-yl)methylidene]-1<i>H</i>-imidazol-5(4<i>H</i>)-one","IUCrData","2016","1","4","x160566","","10.1107/S2414314616005666","","","0.71073","MoKα","","0.0941","0.0496","","","0.1051","0.1356","","","","","","1.053","","","","has coordinates","182047","2020-10-21","18:00:00",""
"1543087","6.7563","0.0001","11.2307","0.0002","11.7323","0.0003","90","","90","","90","","890.22","0.03","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","1-Ethyl-5-nitro-1<i>H</i>-indazole","","- C9 H9 N3 O2 -","- C9 H9 N3 O2 -","- C36 H36 N12 O8 -","4","1","TK4008","Boulhaoua, Mohammed; El Hafi, Mohamed; Benchidmi, Mohammed; Essassi, El Mokhtar; Mague, Joel T.","1-Ethyl-5-nitro-1<i>H</i>-indazole","IUCrData","2016","1","4","x160567","","10.1107/S2414314616005678","","","1.54178","CuKα","","0.0331","0.0318","","","0.0822","0.0834","","","","","","1.139","","","","has coordinates,has Fobs","182048","2020-10-21","18:00:00",""
"1543088","4.2047","0.0006","34.146","0.004","13.347","0.003","90","","97.67","0.01","90","","1899.1","0.6","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","Dihydroxy phenyl tetradecyl ketone","1-(2,6-Dihydroxyphenyl)tetradecan-1-one","","- C20 H32 O3 -","- C20 H32 O3 -","- C80 H128 O12 -","4","1","SU4030","Bauri, A. K.; Foro, Sabine; Do, Nhu Quynh Nguyen","1-(2,6-Dihydroxyphenyl)tetradecan-1-one: isolated from the fruit rinds of <i>Myristica malabarica</i>","IUCrData","2016","1","4","x160577","","10.1107/S2414314616005770","","","0.71073","MoKα","","0.1364","0.0857","","","0.1395","0.1604","","","","","","1.299","","","","has coordinates,has Fobs","182049","2020-10-21","18:00:00",""
"1543089","12.4764","0.0006","7.8471","0.0003","16.7265","0.0008","90","","90.478","0.002","90","","1637.53","0.13","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","5-(2-Hydroxybenzoyl)-2-(1<i>H</i>-indol-3-yl)pyridine-3-carbonitrile","","- C21 H13 N3 O2 -","- C21 H13 N3 O2 -","- C84 H52 N12 O8 -","4","1","","Ezhilarasi, K. S.; Poomathi, Nataraj; Perumal, P. T.; Vasanthi, R.; Usha, G.","5-(2-Hydroxybenzoyl)-2-(1<i>H</i>-indol-3-yl)pyridine-3-carbonitrile","IUCrData","2016","1","4","x160586","","10.1107/S2414314616005861","","","0.71073","MoKα","","0.0558","0.0405","","","0.1134","0.1208","","","","","","1.57","","","","has coordinates,has Fobs","182050","2020-10-21","18:00:00",""
"1543090","7.4998","0.0008","13.835","0.0014","12.2324","0.0012","90","","107.474","0.004","90","","1210.7","0.2","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","5-(2-Hydroxybenzoyl)-1-methyl-3-nitropyridin-2(1<i>H</i>)-one","","- C13 H10 N2 O5 -","- C13 H10 N2 O5 -","- C52 H40 N8 O20 -","4","1","FF4005","Vimala, G.; Poomathi, N.; Perumal, P. T.; SubbiahPandi, A.","5-(2-Hydroxybenzoyl)-1-methyl-3-nitropyridin-2(1<i>H</i>)-one","IUCrData","2016","1","4","x160527","","10.1107/S2414314616005277","","","0.71073","MoKα","","0.1032","0.0557","","","0.1415","0.1757","","","","","","1.011","","","","has coordinates,has Fobs","182051","2020-10-21","18:00:00",""
"1543091","10.2688","0.0004","10.5322","0.0004","11.2934","0.0004","111.72","0.002","93.883","0.002","91.653","0.003","1130.18","0.08","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","5-Benzoyl-2-(1<i>H</i>-indol-3-yl)-4-(naphthalen-2-yl)-1<i>H</i>-pyrrole-3-carbonitrile","","- C30 H19 N3 O -","- C30 H19 N3 O -","- C60 H38 N6 O2 -","2","1","SU4022","Vimala, G.; Raja, J. Kamal; Perumal, P. T.; SubbiahPandi, A.","5-Benzoyl-2-(1<i>H</i>-indol-3-yl)-4-(naphthalen-2-yl)-1<i>H</i>-pyrrole-3-carbonitrile","IUCrData","2016","1","4","x160526","","10.1107/S2414314616005265","","","0.71073","MoKα","","0.0588","0.0389","","","0.0952","0.1287","","","","","","0.742","","","","has coordinates,has Fobs","182052","2020-10-21","18:00:00",""
"1543092","13.7628","0.001","14.6969","0.0013","20.612","0.003","92.199","0.01","108.292","0.008","115.12","0.008","3512","0.8","120","2","120","2","","","","","","","","7","P -1","-P 1","2","","","","- C40 H112 Dy I3 N8 O10 P4 -","- C40 H112 Dy I3 N8 O10 P4 -","- C80 H224 Dy2 I6 N16 O20 P8 -","2","1","","Gupta, Sandeep K.; Rajeshkumar, Thayalan; Rajaraman, Gopalan; Murugavel, Ramaswamy","An air-stable Dy(iii) single-ion magnet with high anisotropy barrier and blocking temperature","Chem. Sci.","2016","7","8","5181","","10.1039/C6SC00279J","","","0.71075","MoKα","","0.0335","0.0318","","","0.0658","0.0667","","","","","","1.09","","","","has coordinates","185147","2020-10-21","18:00:00",""
"1543093","13.737","0.0008","14.6858","0.0014","20.603","0.0017","92.107","0.009","108.177","0.007","115.121","0.012","3505.6","0.7","120","2","120","2","","","","","","","","7","P -1","-P 1","2","","","","- C40 H112 Er I3 N8 O10 P4 -","- C40 H112 Er I3 N8 O10 P4 -","- C80 H224 Er2 I6 N16 O20 P8 -","2","1","","Gupta, Sandeep K.; Rajeshkumar, Thayalan; Rajaraman, Gopalan; Murugavel, Ramaswamy","An air-stable Dy(iii) single-ion magnet with high anisotropy barrier and blocking temperature","Chem. Sci.","2016","7","8","5181","","10.1039/C6SC00279J","","","0.71075","MoKα","","0.0262","0.0256","","","0.0622","0.0625","","","","","","1.079","","","","has coordinates","185147","2020-10-21","18:00:00",""
"1543094","13.7506","0.0013","14.727","0.002","20.641","0.002","92.293","0.014","108.245","0.01","114.902","0.008","3528.3","0.8","120","2","120","2","","","","","","","","7","P -1","-P 1","2","","","","- C40 H112 I3 N8 O10 P4 Y -","- C40 H112 I3 N8 O10 P4 Y -","- C80 H224 I6 N16 O20 P8 Y2 -","2","1","","Gupta, Sandeep K.; Rajeshkumar, Thayalan; Rajaraman, Gopalan; Murugavel, Ramaswamy","An air-stable Dy(iii) single-ion magnet with high anisotropy barrier and blocking temperature","Chem. Sci.","2016","7","8","5181","","10.1039/C6SC00279J","","","0.71075","MoKα","","0.036","0.0336","","","0.0762","0.0775","","","","","","1.06","","","","has coordinates","185147","2020-10-21","18:00:00",""
"1543095","8.4474","0.0005","8.6414","0.0004","10.5047","0.0006","101.755","0.004","103.383","0.005","98.623","0.004","714.54","0.07","150","1","150","1","","","","","","","","5","P -1","-P 1","2","","","","- C28 H32 N4 O6 S2 -","- C28 H32 N4 O6 S2 -","- C28 H32 N4 O6 S2 -","1","0.5","","Qin, Lei; Hartley, Anna; Turner, Peter; Elmes, Robert B. P.; Jolliffe, Katrina A.","Macrocyclic squaramides: anion receptors with high sulfate binding affinity and selectivity in aqueous media","Chem. Sci.","2016","7","7","4563","","10.1039/C6SC01011C","","","1.5418","CuKα","","0.035","0.0328","","","0.088","0.0902","","","","","","1.323","","","","has coordinates","185108","2020-10-21","18:00:00",""
"1543096","8.4511","0.0002","8.5911","0.0002","10.8922","0.0002","73.717","0.002","84.157","0.002","69.545","0.002","711.23","0.03","150","1","150","1","","","","","","","","5","P -1","-P 1","2","","","","- C28 H32 N4 O6 S2 -","- C28 H32 N4 O6 S2 -","- C28 H32 N4 O6 S2 -","1","0.5","","Qin, Lei; Hartley, Anna; Turner, Peter; Elmes, Robert B. P.; Jolliffe, Katrina A.","Macrocyclic squaramides: anion receptors with high sulfate binding affinity and selectivity in aqueous media","Chem. Sci.","2016","7","7","4563","","10.1039/C6SC01011C","","","1.5418","CuKα","","0.0365","0.0357","","","0.0875","0.0879","","","","","","1.308","","","","has coordinates","185108","2020-10-21","18:00:00",""
"1543097","20.3065","0.0019","12.0238","0.001","25.441","0.002","90","","110.374","0.005","90","","5823.1","0.9","100","1","100","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C56 H96 N6 O10 S -","- C56 H96 N6 O10 S -","- C224 H384 N24 O40 S4 -","4","1","","Qin, Lei; Hartley, Anna; Turner, Peter; Elmes, Robert B. P.; Jolliffe, Katrina A.","Macrocyclic squaramides: anion receptors with high sulfate binding affinity and selectivity in aqueous media","Chem. Sci.","2016","7","7","4563","","10.1039/C6SC01011C","","","0.71073","MoKα","","0.0654","0.0482","","","0.1097","0.1182","","","","","","1.184","","","","has coordinates,has disorder","185108","2020-10-21","18:00:00",""
"1543098","6.0434","0.0003","8.9035","0.0005","20.1417","0.001","101.174","0.005","91.268","0.004","107.342","0.005","1011.2","0.1","150","1","150","1","","","","","","","","4","P -1","-P 1","2","","","","- C40 H48 N4 O14 -","- C40 H48 N4 O14 -","- C40 H48 N4 O14 -","1","0.5","","Qin, Lei; Hartley, Anna; Turner, Peter; Elmes, Robert B. P.; Jolliffe, Katrina A.","Macrocyclic squaramides: anion receptors with high sulfate binding affinity and selectivity in aqueous media","Chem. Sci.","2016","7","7","4563","","10.1039/C6SC01011C","","","1.5418","CuKα","","0.1039","0.0509","","","0.1016","0.1096","","","","","","1.176","","","","has coordinates,has disorder","185108","2020-10-21","18:00:00",""
"1543099","18.7479","0.0011","9.6392","0.0006","19.3565","0.0011","90","","90","","90","","3498","0.4","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","3a-hydroxy-11a-methyl-10-phenyl-3,3a,11,11a-tetrahydro-1H-cyclopenta[4,5]pyrrolo[1,2-b]isoquinoline-1,5(2H)-dione","","- C22 H19 N O3 -","- C22 H19 N O3 -","- C176 H152 N8 O24 -","8","1","","Gollapelli, Krishna Kumar; Kallepu, Shivakrishna; Govindappa, Nagendra; Nanubolu, Jagadeesh babu; Chegondi, Rambabu","Carbonyl-Assisted Reverse Regioselective Cascade Annulation of 2-Acetylenic Ketones Triggered by Ru-Catalyzed C‒H Activation","Chem. Sci.","2016","","","","","10.1039/C6SC01456A","","","0.71073","MoKα","","0.0543","0.044","","","0.1205","0.1297","","","","","","1.04","","","","has coordinates","182055","2020-10-21","18:00:00",""
"1543100","38.0927","0.0019","11.6377","0.0006","16.7259","0.0007","90","","100.791","0.005","90","","7283.7","0.6","173","2","173","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C36 H63 N0 O Si2 U -","- C36 H63 O Si2 U -","- C288 H504 O8 Si16 U8 -","8","1","","Tsoureas, Nikolaos; Kilpatrick, Alexander F. R.; Inman, Christopher J.; Cloke, F. Geoffrey N.","Steric control of redox events in organo-uranium chemistry: synthesis and characterisation of U(v) oxo and nitrido complexes","Chem. Sci.","2016","7","7","4624","","10.1039/C6SC00632A","","","0.71073","MoKα","","0.0495","0.0344","","","0.0655","0.0705","","","","","","1.021","","","","has coordinates,has disorder","185121","2020-10-21","18:00:00",""
"1543101","22.8816","0.0013","12.0603","0.0005","16.2087","0.0008","90","","108.372","0.006","90","","4245","0.4","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C41 H72 N O Si2 U -","- C41 H72 N O Si2 U -","- C164 H288 N4 O4 Si8 U4 -","4","1","","Tsoureas, Nikolaos; Kilpatrick, Alexander F. R.; Inman, Christopher J.; Cloke, F. Geoffrey N.","Steric control of redox events in organo-uranium chemistry: synthesis and characterisation of U(v) oxo and nitrido complexes","Chem. Sci.","2016","7","7","4624","","10.1039/C6SC00632A","","","0.71073","MoKα","","0.0804","0.0594","","","0.1288","0.1376","","","","","","1.119","","","","has coordinates,has disorder","185121","2020-10-21","18:00:00",""
"1543102","16.6069","0.0013","22.4849","0.0019","11.2503","0.0011","90","","90","","90","","4200.9","0.6","173","2","173","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C39 H72 O Si3 U -","- C39 H72 O Si3 U -","- C156 H288 O4 Si12 U4 -","4","0.5","","Tsoureas, Nikolaos; Kilpatrick, Alexander F. R.; Inman, Christopher J.; Cloke, F. Geoffrey N.","Steric control of redox events in organo-uranium chemistry: synthesis and characterisation of U(v) oxo and nitrido complexes","Chem. Sci.","2016","7","7","4624","","10.1039/C6SC00632A","","","1.54184","CuKα","","0.1465","0.0983","","","0.2378","0.2983","","","","","","1.014","","","","has coordinates","185121","2020-10-21","18:00:00",""
"1543103","10.7251","0.0002","18.7626","0.0003","11.9516","0.0002","90","","95.238","0.001","90","","2394.99","0.07","173","2","173","2","","","","","","","","7","P 1 21/m 1","-P 2yb","11","","","","- C22 H41.5 N0.5 Na0.5 O Si U0.5 -","- C22 H41.5 N0.5 Na0.5 O Si U0.5 -","- C88 H166 N2 Na2 O4 Si4 U2 -","4","1","","Tsoureas, Nikolaos; Kilpatrick, Alexander F. R.; Inman, Christopher J.; Cloke, F. Geoffrey N.","Steric control of redox events in organo-uranium chemistry: synthesis and characterisation of U(v) oxo and nitrido complexes","Chem. Sci.","2016","7","7","4624","","10.1039/C6SC00632A","","","1.54184","CuKα","","0.0343","0.0305","","","0.0728","0.0762","","","","","","1.032","","","","has coordinates","185121","2020-10-21","18:00:00",""
"1543104","12.3696","0.0004","13.4214","0.0005","21.7314","0.0006","98.997","0.003","99.477","0.002","109.711","0.003","3261.6","0.2","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C120 H204 N2 Na O6 Si8 U4 -","- C120 H204 N2 Na O6 Si8 U4 -","- C120 H204 N2 Na O6 Si8 U4 -","1","0.5","","Tsoureas, Nikolaos; Kilpatrick, Alexander F. R.; Inman, Christopher J.; Cloke, F. Geoffrey N.","Steric control of redox events in organo-uranium chemistry: synthesis and characterisation of U(v) oxo and nitrido complexes","Chem. Sci.","2016","7","7","4624","","10.1039/C6SC00632A","","","1.54184","CuKα","","0.0488","0.0338","","","0.084","0.0908","","","","","","1.024","","","","has coordinates,has disorder","282761","2023-04-20","06:45:56",""
"1543105","11.1168","0.0004","19.7384","0.0006","13.01","0.0005","90","","90.901","0.003","90","","2854.4","0.17","173","2","173","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C55 H95 K O7 Si2 U -","- C55 H95 K O7 Si2 U -","- C110 H190 K2 O14 Si4 U2 -","2","0.5","","Tsoureas, Nikolaos; Kilpatrick, Alexander F. R.; Inman, Christopher J.; Cloke, F. Geoffrey N.","Steric control of redox events in organo-uranium chemistry: synthesis and characterisation of U(v) oxo and nitrido complexes","Chem. Sci.","2016","7","7","4624","","10.1039/C6SC00632A","","","0.71073","MoKα","","0.045","0.0371","","","0.072","0.0744","","","","","","1.08","","","","has coordinates","186650","2020-10-21","18:00:00",""
"1543106","7.8163","0.0016","11.555","0.002","26.919","0.005","90","","90","","90","","2431.3","0.8","133.15","","133.15","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","7","","- C26 H33 N O5 S -","- C26 H33 N O5 S -","- C104 H132 N4 O20 S4 -","4","1","","Liu, Yang; Cheng, Li-Jie; Yue, Hai-Tao; Che, Wen; Xie, Jian-Hua; Zhou, Qi-Lin","Divergent enantioselective synthesis of hapalindole-type alkaloids using catalytic asymmetric hydrogenation of a ketone to construct the chiral core structure","Chem. Sci.","2016","7","7","4725","","10.1039/C6SC00686H","","","0.71073","MoKα","","0.1148","0.0837","","","0.1899","0.2057","","","","","","1.128","","","","has coordinates","185128","2020-10-21","18:00:00",""
"1543107","8.6706","0.0002","7.72008","0.00019","11.4872","0.0003","90","","90","","90","","768.93","0.03","123","3","123","3","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C3 H8 N2 O6 Zn -","- C3 H8 N2 O6 Zn -","- C12 H32 N8 O24 Zn4 -","4","1","","Kieslich, Gregor; Kumagai, Shohei; Forse, Alexander C.; Sun, Shijing; Henke, Sebastian; Yamashita, Masahiro; Grey, Clare P.; Cheetham, Anthony K.","Tuneable mechanical and dynamical properties in the ferroelectric perovskite solid solution [NH3NH2]1−x[NH3OH]xZn(HCOO)3","Chem. Sci.","2016","7","8","5108","","10.1039/C6SC01247G","","x-ray","0.71073","MoKα","","0.0299","0.0233","","","0.0512","0.0541","","","","","","1.059","","","","has coordinates","185163","2020-10-21","18:00:00",""
"1543108","8.61779","0.00012","7.73073","0.0001","11.50052","0.00016","90","","90","","90","","766.185","0.018","119.8","0.6","119.8","0.6","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C3 H7.5 N1.5 O6.5 Zn -","- C3 H7.5 N1.5 O6.5 Zn -","- C12 H30 N6 O26 Zn4 -","4","1","","Kieslich, Gregor; Kumagai, Shohei; Forse, Alexander C.; Sun, Shijing; Henke, Sebastian; Yamashita, Masahiro; Grey, Clare P.; Cheetham, Anthony K.","Tuneable mechanical and dynamical properties in the ferroelectric perovskite solid solution [NH3NH2]1−x[NH3OH]xZn(HCOO)3","Chem. Sci.","2016","7","8","5108","","10.1039/C6SC01247G","","x-ray","0.71073","MoKα","","0.0393","0.0264","","","0.0537","0.0581","","","","","","1.028","","","","has coordinates,has disorder","185163","2020-10-21","18:00:00",""
"1543109","9.0098","0.0006","7.1744","0.0005","14.3213","0.001","90","","92.2","0.005","90","","925.05","0.11","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","Apocidine A","","","- C21 H24 N2 O4 -","- C21 H24 N2 O4 -","- C42 H48 N4 O8 -","2","1","","Nge, Choy-Eng; Chong, Kam-Weng; Thomas, Noel F.; Lim, Siew-Huah; Low, Yun-Yee; Kam, Toh-Seok","Ibogan, Aspidosperman, Vincamine, and Bisindole Alkaloids from a Malayan Tabernaemontana corymbosa: Iboga Alkaloids with C-20α Substitution.","Journal of natural products","2016","79","5","1388","1399","10.1021/acs.jnatprod.6b00129","","","0.71073","MoKα","","0.0717","0.0495","","","0.0951","0.113","","","","","","1.054","","","","has coordinates","183588","2020-10-21","18:00:00",""
"1543110","6.575","0.0004","14.273","0.0008","19.3071","0.001","90","","90","","90","","1811.87","0.18","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","Conodusine C","","","- C20 H28 N2 O4 -","- C20 H28 N2 O4 -","- C80 H112 N8 O16 -","4","1","","Nge, Choy-Eng; Chong, Kam-Weng; Thomas, Noel F.; Lim, Siew-Huah; Low, Yun-Yee; Kam, Toh-Seok","Ibogan, Aspidosperman, Vincamine, and Bisindole Alkaloids from a Malayan Tabernaemontana corymbosa: Iboga Alkaloids with C-20α Substitution.","Journal of natural products","2016","79","5","1388","1399","10.1021/acs.jnatprod.6b00129","","","0.71073","MoKα","","0.0784","0.0498","","","0.0994","0.1155","","","","","","1.021","","","","has coordinates","183588","2020-10-21","18:00:00",""
"1543111","10.1845","0.0018","10.1845","0.0018","14.613","0.003","90","","90","","90","","1515.7","0.5","100","2","100","2","","","","","","","","4","P 41","P 4w","76","Conodusine A","","","- C19 H22 N2 O -","- C19 H22 N2 O -","- C76 H88 N8 O4 -","4","1","","Nge, Choy-Eng; Chong, Kam-Weng; Thomas, Noel F.; Lim, Siew-Huah; Low, Yun-Yee; Kam, Toh-Seok","Ibogan, Aspidosperman, Vincamine, and Bisindole Alkaloids from a Malayan Tabernaemontana corymbosa: Iboga Alkaloids with C-20α Substitution.","Journal of natural products","2016","79","5","1388","1399","10.1021/acs.jnatprod.6b00129","","","0.71073","MoKα","","0.0696","0.0402","","","0.0651","0.0715","","","","","","0.84","","","","has coordinates","183588","2020-10-21","18:00:00",""
"1543112","8.8859","0.0002","26.1897","0.0005","13.3329","0.0002","90","","91.416","0.001","90","","3101.87","0.1","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C31 H36 Cl N O10 -","- C31 H36 Cl N O10 -","- C124 H144 Cl4 N4 O40 -","4","2","","Kashima, Kenichi; Teraoka, Kota; Uekusa, Hidehiro; Shibata, Yu; Tanaka, Ken","Rhodium-Catalyzed Atroposelective [2 + 2 + 2] Cycloaddition of Ortho-Substituted Phenyl Diynes with Nitriles: Effect of Ortho Substituents on Regio- and Enantioselectivity.","Organic letters","2016","18","9","2170","2173","10.1021/acs.orglett.6b00791","","","1.54186","CuKα","","0.0453","0.0417","","","0.1064","0.1124","","","","","","1.067","","","","has coordinates,has disorder","184996","2020-10-21","18:00:00",""
"1543113","15.708","0.002","17.744","0.003","16.623","0.003","90","","99.335","0.002","90","","4571.8","1.3","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C50 H44 O10 -","- C50 H44 O10 -","- C200 H176 O40 -","4","2","","Du, Wen-Ke; Hung, Hsin-Yi; Kuo, Ping-Chung; Hwang, Tsong-Long; Shiu, Ler-Chun; Shiu, Kom-Bei; Lee, E-Jian; Tai, Shih-Huang; Wu, Tian-Shung","Dragonbloodin A1 and A2: Flavan Trimers and Anti-inflammatory Principles from Sanguis Draconis.","Organic letters","2016","","","","","10.1021/acs.orglett.6b00593","","","0.71073","MoKα","","0.1044","0.0696","","","0.1677","0.1821","","","","","","1.086","","","","has coordinates","182122","2020-10-21","18:00:00",""
"1543114","15.708","0.002","17.744","0.003","16.623","0.003","90","","99.335","0.002","90","","4571.8","1.3","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C50 H43 O10 -","- C50 H43 O10 -","- C200 H172 O40 -","4","1","","Du, Wen-Ke; Hung, Hsin-Yi; Kuo, Ping-Chung; Hwang, Tsong-Long; Shiu, Ler-Chun; Shiu, Kom-Bei; Lee, E-Jian; Tai, Shih-Huang; Wu, Tian-Shung","Dragonbloodin A1 and A2: Flavan Trimers and Anti-inflammatory Principles from Sanguis Draconis.","Organic letters","2016","","","","","10.1021/acs.orglett.6b00593","","","0.71073","MoKα","","0.0981","0.0716","","","0.1841","0.194","","","","","","1.094","","","","has coordinates,has disorder","182123","2020-10-21","18:00:00",""
"1543115","8.814","0.006","10.352","0.007","8.529","0.006","90","","97.784","0.01","90","","771","0.9","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C8 H9 N O4 -","- C8 H9 N O4 -","- C32 H36 N4 O16 -","4","1","","Shi, Shan; Shi, HongWei; Li, JianLong; Li, Fei; Chen, Lei; Zhang, Chao; Huang, ZhiYan; Zhao, Na; Li, Nan; Yang, Jun","Synthesis of the BCD Tricyclic Core of Densanins A and B.","Organic letters","2016","18","9","1949","1951","10.1021/acs.orglett.6b00606","","","0.71073","MoKα","","0.0432","0.0374","","","0.0975","0.1022","","","","","","1.05","","","","has coordinates","184998","2020-10-21","18:00:00",""
"1543116","9.6422","0.0003","12.8786","0.0004","22.6372","0.0007","90","","90","","90","","2811.04","0.15","296","2","296","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C23 H33 Br2 N O6 S -","- C23 H33 Br2 N O6 S -","- C92 H132 Br8 N4 O24 S4 -","4","1","","Cai, Sen-Lin; Song, Ran; Dong, Han-Qing; Lin, Guo-Qiang; Sun, Xing-Wen","Practical Asymmetric Synthesis of Amathaspiramides B, D, and F.","Organic letters","2016","18","9","1996","1999","10.1021/acs.orglett.6b00588","","","0.71073","MoKα","","0.0773","0.0359","","","0.0823","0.093","","","","","","1.001","","","","has coordinates","187985","2020-10-21","18:00:00",""
"1543117","11.7774","0.0006","14.2384","0.0007","16.4779","0.0008","90","","93.145","0.002","90","","2759","0.2","296","2","296","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C23 H33 Br2 N O6 S -","- C23 H33 Br2 N O6 S -","- C92 H132 Br8 N4 O24 S4 -","4","2","","Cai, Sen-Lin; Song, Ran; Dong, Han-Qing; Lin, Guo-Qiang; Sun, Xing-Wen","Practical Asymmetric Synthesis of Amathaspiramides B, D, and F.","Organic letters","2016","18","9","1996","1999","10.1021/acs.orglett.6b00588","","","0.71073","MoKα","","0.0792","0.0424","","","0.1041","0.1267","","","","","","1.037","","","","has coordinates","187985","2020-10-21","18:00:00",""
"1543118","8.689","0.003","13.353","0.004","18.075","0.006","90","","90","","90","","2097.1","1.2","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C16 H19 Br2 Cl3 N2 O3 -","- C16 H19 Br2 Cl3 N2 O3 -","- C64 H76 Br8 Cl12 N8 O12 -","4","1","","Cai, Sen-Lin; Song, Ran; Dong, Han-Qing; Lin, Guo-Qiang; Sun, Xing-Wen","Practical Asymmetric Synthesis of Amathaspiramides B, D, and F.","Organic letters","2016","18","9","1996","1999","10.1021/acs.orglett.6b00588","","","0.71073","MoKα","","0.0853","0.0347","","","0.0425","0.0465","","","","","","0.634","","","","has coordinates","187985","2020-10-21","18:00:00",""
"1543119","23.88","0.002","7.0491","0.0006","16.984","0.0015","90","","91.271","0.002","90","","2858.3","0.4","294","2","294","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C34 H36 N2 O9 -","- C34 H36 N2 O9 -","- C136 H144 N8 O36 -","4","0.5","","Gouthami, Pashikanti; Chegondi, Rambabu; Chandrasekhar, Srivari","Formal Total Synthesis of (±)-Cephalotaxine and Congeners via Aryne Insertion Reaction.","Organic letters","2016","18","9","2044","2046","10.1021/acs.orglett.6b00659","","","0.71073","MoKα","","0.0483","0.0448","","","0.1224","0.126","","","","","","1.081","","","","has coordinates,has disorder","185000","2020-10-21","18:00:00",""
"1543120","23.25","0.04","18.52","0.03","15.75","0.05","90","","131.715","0.014","90","","5062","2","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C26 H25 Br2 F N2 O2 -","- C26 H25 Br2 F N2 O2 -","- C208 H200 Br16 F8 N16 O16 -","8","1","","Jiang, Bin; Du, Chen Chen; Li, Min Jie; Gao, Ke; Kou, Li; Chen, Ming; Liu, Feng; Russell, Thomas P.; Wang, Hongyu","Synthesis of fluorinated diphenyl-diketopyrrolopyrrole derivatives as new building blocks for conjugated copolymers","Polym. Chem.","2016","7","19","3311","","10.1039/C6PY00346J","","","0.71073","MoKα","","0.1262","0.0737","","","0.2083","0.2467","","","","","","1.039","","","","has coordinates","183799","2020-10-21","18:00:00",""
"1543121","23.213","0.004","18.364","0.003","15.662","0.003","90","","131.74","0.002","90","","4981.8","1.5","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C26 H24 Br2 F2 N2 O2 -","- C26 H24 Br2 F2 N2 O2 -","- C208 H192 Br16 F16 N16 O16 -","8","1","","Jiang, Bin; Du, Chen Chen; Li, Min Jie; Gao, Ke; Kou, Li; Chen, Ming; Liu, Feng; Russell, Thomas P.; Wang, Hongyu","Synthesis of fluorinated diphenyl-diketopyrrolopyrrole derivatives as new building blocks for conjugated copolymers","Polym. Chem.","2016","7","19","3311","","10.1039/C6PY00346J","","","0.71073","MoKα","","0.1464","0.0844","","","0.2662","0.3129","","","","","","1.063","","","","has coordinates","214153","2020-10-21","18:00:00",""
"1543122","12.99","0.003","4.2334","0.001","17.997","0.004","90","","101.476","0.002","90","","969.9","0.4","296","2","296","2","","","","","","","","6","P 1 c 1","P -2yc","7","","","","- C22 H17 Br2 F N2 O2 -","- C22 H17 Br2 F N2 O2 -","- C44 H34 Br4 F2 N4 O4 -","2","1","","Jiang, Bin; Du, Chen Chen; Li, Min Jie; Gao, Ke; Kou, Li; Chen, Ming; Liu, Feng; Russell, Thomas P.; Wang, Hongyu","Synthesis of fluorinated diphenyl-diketopyrrolopyrrole derivatives as new building blocks for conjugated copolymers","Polym. Chem.","2016","7","19","3311","","10.1039/C6PY00346J","","","0.71073","MoKα","","0.059","0.0352","","","0.0808","0.0917","","","","","","1.016","","","","has coordinates","214153","2020-10-21","18:00:00",""
"1543123","7.389","0.003","8.698","0.003","12.87","0.005","70.95","0.005","73.447","0.004","74.305","0.004","734.9","0.5","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C30 H32 Br2 F2 N2 O4 -","- C30 H32 Br2 F2 N2 O4 -","- C30 H32 Br2 F2 N2 O4 -","1","0.5","","Jiang, Bin; Du, Chen Chen; Li, Min Jie; Gao, Ke; Kou, Li; Chen, Ming; Liu, Feng; Russell, Thomas P.; Wang, Hongyu","Synthesis of fluorinated diphenyl-diketopyrrolopyrrole derivatives as new building blocks for conjugated copolymers","Polym. Chem.","2016","7","19","3311","","10.1039/C6PY00346J","","","0.71073","MoKα","","0.0675","0.0539","","","0.1461","0.168","","","","","","1.022","","","","has coordinates","183799","2020-10-21","18:00:00",""
"1543124","9.8056","0.0009","10.1342","0.0009","13.2604","0.0013","106.4","0.002","94.409","0.002","93.758","0.002","1255.1","0.2","130","","130","","","","","","","","","6","P 1","P 1","1","","","","- C29 H21 Br N2 O3 S -","- C29 H21 Br N2 O3 S -","- C58 H42 Br2 N4 O6 S2 -","2","2","","Hu, Zhiyong; Tong, Xiaofeng; Liu, Guixia","Rhodium(III)-Catalyzed Cascade Cyclization/Electrophilic Amidation for the Synthesis of 3-Amidoindoles and 3-Amidofurans.","Organic letters","2016","18","9","2058","2061","10.1021/acs.orglett.6b00689","","","0.71073","MoKα","","0.0931","0.0517","","","0.1041","0.1182","","","","","","0.946","","","","has coordinates","185002","2020-10-21","18:00:00",""
"1543125","13.217","0.01","9.831","0.007","13.627","0.009","90","","90","","90","","1771","2","296","2","296","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","7-Hydroxy-4-(hydroxymethyl)-2-oxo-2<i>H</i>-chromene","","- C10 H8 O4 -","- C10 H8 O4 -","- C80 H64 O32 -","8","1","SJ4022","Bai, Jun-Hua; Dong, Jin-Long","7-Hydroxy-4-(hydroxymethyl)coumarin","IUCrData","2016","1","4","x160598","","10.1107/S2414314616005988","","","0.71073","MoKα","","0.0435","0.0333","","","0.0714","0.0781","","","","","","1.012","","","","has coordinates,has Fobs","182158","2020-10-21","18:00:00",""
"1543126","8.755","0.005","9.533","0.005","10.897","0.005","91.324","0.005","90.517","0.005","103.216","0.005","885.1","0.8","150","","150","","","","","","","","","5","P -1","-P 1","2","Dibromonitrotoluene","1,3-Dibromo-2-methyl-5-nitrobenzene","","- C7 H5 Br2 N O2 -","- C7 H5 Br2 N O2 -","- C28 H20 Br8 N4 O8 -","4","2","","Medjroubi, Mohamed Larbi; Jeannin, Olivier; Fourmigué, Marc; Boudjada, Ali; Meinnel, Jean","Dibromonitrotoluene","IUCrData","2016","1","4","x160621","","10.1107/S2414314616006210","","","0.71069","MoKα","","0.0419","0.0294","","0.0602","0.0554","0.0528","","","","","","0.8477","","","","has coordinates,has Fobs","182159","2020-10-21","18:00:00",""
"1543127","10.5765","0.0002","11.8088","0.0002","39.1512","0.0007","90","","92.618","0.001","90","","4884.72","0.15","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","4-Amino-<i>N</i>-(4-methylpyrimidin-2-yl)benzenesulfonamide tetrahydrofuran monosolvate","","- C15 H20 N4 O3 S -","- C15 H20 N4 O3 S -","- C180 H240 N48 O36 S12 -","12","3","HB4037","Hossain, G. M. Golzar","Sulfamerazine tetrahydrofuran monosolvate","IUCrData","2016","1","4","x160596","","10.1107/S2414314616005964","","","0.71073","MoKα","","0.1262","0.0628","","","0.1413","0.1691","","","","","","1.012","","","","has coordinates,has Fobs","182160","2020-10-21","18:00:00",""
"1543128","4.4793","0.0002","10.3596","0.0005","21.5724","0.0011","90","","90","","90","","1001.04","0.08","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","Ethyl 2-(2-methyl-4-nitro-1<i>H</i>-imidazol-1-yl)acetate","","- C8 H11 N3 O4 -","- C8 H11 N3 O4 -","- C32 H44 N12 O16 -","4","1","ZP4004","Hakmaoui, Yassine; Rakib, El Mostapha; Mojahidi, Souad; Saadi, Mohamed; El Ammari, Lahcen","Ethyl 2-(2-methyl-4-nitro-1<i>H</i>-imidazol-1-yl)acetate","IUCrData","2016","1","4","x160588","","10.1107/S2414314616005885","","","0.71073","MoKα","","0.0434","0.0372","","","0.0961","0.1002","","","","","","1.055","","","","has coordinates,has Fobs","182161","2020-10-21","18:00:00",""
"1543129","7.6842","0.0007","8.1013","0.0006","22.0669","0.0016","90","","90.893","0.003","90","","1373.54","0.19","295","2","295","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","4-Aminobenzoic acid‒quinoline (1/1)","","- C16 H14 N2 O2 -","- C16 H14 N2 O2 -","- C64 H56 N8 O8 -","4","1","HB4033","Sivakumar, P.; Sudhahar, S.; Israel, S.; Chakkaravarthi, G.","4-Aminobenzoic acid‒quinoline (1/1)","IUCrData","2016","1","4","x160604","","10.1107/S2414314616006040","","","0.71073","MoKα","","0.0779","0.0443","","","0.0979","0.1166","","","","","","1.029","","","","has coordinates,has Fobs","182162","2020-10-21","18:00:00",""
"1543130","4.4666","0.0002","12.9169","0.0006","16.3857","0.0008","90","","90","","90","","945.37","0.08","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","1-Propyl-1<i>H</i>-indole-2,3-dione","","- C11 H11 N O2 -","- C11 H11 N O2 -","- C44 H44 N4 O8 -","4","1","SJ4024","Qachchachi, Fatima Zahrae; Kandri Rodi, Youssef; Haoudi, Amal; Essassi, El Mokhtar; Capet, Frédéric; Zouihri, Hafid","1-Propyl-1<i>H</i>-indole-2,3-dione","IUCrData","2016","1","4","x160609","","10.1107/S241431461600609X","","","0.71073","MoKα","","0.0442","0.0379","","","0.0856","0.0891","","","","","","1.255","","","","has coordinates,has Fobs","182163","2020-10-21","18:00:00",""
"1543131","10.1721","0.0003","11.2475","0.0003","12.0154","0.0004","79.638","0.002","82.454","0.002","82.371","0.002","1332.14","0.07","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","5-Benzoyl-2-(5-bromo-1<i>H</i>-indol-3-yl)-4-(4-nitrophenyl)-1<i>H</i>-pyrrole-3-carbonitrile dimethyl sulfoxide monosolvate","","- C28 H21 Br N4 O4 S -","- C28 H21 Br N4 O4 S -","- C56 H42 Br2 N8 O8 S2 -","2","1","HG4002","AaminaNaaz, Y.; Kamalraja, Jayabal; Perumal, Paramasivam T.; SubbiahPandi, A.","5-Benzoyl-2-(5-bromo-1<i>H</i>-indol-3-yl)-4-(4-nitrophenyl)-1<i>H</i>-pyrrole-3-carbonitrile dimethyl sulfoxide monosolvate","IUCrData","2016","1","4","x160597","","10.1107/S2414314616005976","","","0.71073","MoKα","","0.089","0.0594","","","0.1534","0.1861","","","","","","1.039","","","","has coordinates,has Fobs","182164","2020-10-21","18:00:00",""
"1543132","7.7113","0.0002","8.1375","0.0002","17.8089","0.0004","90","","93.83","0.0013","90","","1115.03","0.05","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","1-(3-Bromopropyl)indoline-2,3-dione","","- C11 H10 Br N O2 -","- C11 H10 Br N O2 -","- C44 H40 Br4 N4 O8 -","4","1","HB4036","Qachchachi, Fatima Zahrae; Kandri Rodi, Youssef; Haoudi, Amal; Essassi, El Mokhtar; Capet, Frédéric; Zouihri, Hafid","1-(3-Bromopropyl)indoline-2,3-dione","IUCrData","2016","1","4","x160593","","10.1107/S2414314616005939","","","0.71073","MoKα","","0.0801","0.0547","","","0.1417","0.1575","","","","","","1.04","","","","has coordinates,has Fobs","182165","2020-10-21","18:00:00",""
"1543133","15.579","0.003","16.799","0.004","17.332","0.004","72.622","0.002","73.116","0.002","84.324","0.002","4142","1.6","296","2","296","2","","","","","","","","3","P -1","-P 1","2","","(1<i>E</i>,2<i>E</i>)-<i>N</i>^1^,<i>N</i>^2^-Bis(5'-methyl-[1,1':3',1''-\ terphenyl]-4'-yl)acenaphthylene-1,2-diimine unknown solvent","","- C50 H36 N2 -","- C50 H36 N2 -","- C200 H144 N8 -","4","2","","Zhu, Liqiong; Zhao, Yan","(1<i>E</i>,2<i>E</i>)-<i>N</i>^1^,<i>N</i>^2^-Bis(5'-methyl-[1,1':3',1''-terphenyl]-4'-yl)acenaphthylene-1,2-diimine unknown solvent","IUCrData","2016","1","4","x160594","","10.1107/S2414314616005940","","","0.71073","MoKα","","0.1653","0.065","","","0.1296","0.144","","","","","","1.039","","","","has coordinates,has Fobs","182166","2020-10-21","18:00:00",""
"1543134","19.7764","0.0014","17.2133","0.0011","20.4799","0.0014","90","","115.774","0.002","90","","6278.1","0.7","100","","100","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","IrPyr","YC49","","- C63 H46 Cl12 F6 Ir N4 P -","- C63 H46 Cl12 F6 Ir N4 P -","- C252 H184 Cl48 F24 Ir4 N16 P4 -","4","1","","Medina-Rodríguez, Santiago; Denisov, Sergey A.; Cudré, Yanouk; Male, Louise; Marín-Suárez, Marta; Fernández-Gutiérrez, Alberto; Fernández-Sánchez, Jorge F; Tron, Arnaud; Jonusauskas, Gediminas; McClenaghan, Nathan D.; Baranoff, Etienne","High performance optical oxygen sensors based on iridium complexes exhibiting interchromophore energy shuttling.","The Analyst","2016","141","10","3090","3097","10.1039/c6an00497k","","","0.71073","MoKα","","0.0901","0.0723","","","0.1897","0.2063","","","","","","1.041","","","","has coordinates","183710","2020-10-21","18:00:00",""
"1543135","13.1487","0.0009","23.0231","0.0016","23.3516","0.0016","67.2098","0.0019","75.538","0.002","78.319","0.002","6266.3","0.8","100","","100","","","","","","","","","7","P -1","-P 1","2","","IrbisPyr","","- C77.25 H54.5 Cl2.5 F6 Ir N4 P -","- C77.25 H54.5 Cl2.5 F6 Ir N4 P -","- C309 H218 Cl10 F24 Ir4 N16 P4 -","4","2","","Medina-Rodríguez, Santiago; Denisov, Sergey A.; Cudré, Yanouk; Male, Louise; Marín-Suárez, Marta; Fernández-Gutiérrez, Alberto; Fernández-Sánchez, Jorge F; Tron, Arnaud; Jonusauskas, Gediminas; McClenaghan, Nathan D.; Baranoff, Etienne","High performance optical oxygen sensors based on iridium complexes exhibiting interchromophore energy shuttling.","The Analyst","2016","141","10","3090","3097","10.1039/c6an00497k","","","0.71075","MoKα","","0.0807","0.0673","","","0.1815","0.1939","","","","","","1.027","","","","has coordinates,has disorder","183710","2020-10-21","18:00:00",""
"1543136","7.8372","0.0002","7.8372","0.0002","20.9938","0.0007","90","","90","","120","","1116.72","0.05","297.8","0.2","297.8","0.2","","","","","","","","5","R -3 m","-R 3 2""","166","","Methylammonium potassium bismuth chloride double perovskite","","- C2 Bi Cl6 K N2 -","- C2 Bi Cl6 K N2 -","- C6 Bi3 Cl18 K3 N6 -","3","","","Wei, Fengxia; Deng, Zeyu; Sun, Shijing; Xie, Fei; Kieslich, Gregor; Evans, Donald M.; Carpenter, Michael A.; Bristowe, Paul D.; Cheetham, Anthony K.","The synthesis, structure and electronic properties of a lead-free hybrid inorganic‒organic double perovskite (MA)2KBiCl6(MA = methylammonium)","Mater. Horiz.","2016","3","4","328","","10.1039/C6MH00053C","","x-ray","0.71073","MoKα","","0.0226","0.0226","","","0.054","0.054","","","","","","1.144","","","","has coordinates","185680","2020-10-21","18:00:00",""
"1543137","14.4978","0.0001","14.4978","0.0001","14.4978","0.0001","90","","90","","90","","3047.24","0.04","","","","","","","","","","","","3","F d -3 m :2","-F 4vw 2vw 3","227","","","","- Al20 Sc V2 -","- Al20 Sc V2 -","- Al160 Sc8 V16 -","8","0.0416667","","Winiarski, M.J.; Wiendlocha, B.; Sternik, M.; Wisniewski, P.; O Brien, J.R.; Kaczorowski, D.; Klimczuk, T.","Rattling-enhanced superconductivity in MV2Al20 (M = Sc, Lu, Y) intermetallic cage compounds","Physical Review B","2016","93","","134507","134507","10.1103/PhysRevB.93.134507","","","","","","0.1232","","","","","","","","","","","","","","","has coordinates","182175","2020-10-21","18:00:00",""
"1543138","14.5378","0.0001","14.5378","0.0001","14.5378","0.0001","90","","90","","90","","3072.53","0.04","","","","","","","","","","","","3","F d -3 m :2","-F 4vw 2vw 3","227","","","","- Al20 V2 Y -","- Al20 V2 Y -","- Al160 V16 Y8 -","8","0.0416667","","Winiarski, M.J.; Wiendlocha, B.; Sternik, M.; Wisniewski, P.; O Brien, J.R.; Kaczorowski, D.; Klimczuk, T.","Rattling-enhanced superconductivity in MV2Al20 (M = Sc, Lu, Y) intermetallic cage compounds","Physical Review B","2016","93","","134507","134507","10.1103/PhysRevB.93.134507","","","","","","0.0903","","","","","","","","","","","","","","","has coordinates","182176","2020-10-21","18:00:00",""
"1543139","14.6219","0.0005","14.6219","0.0005","14.6219","0.0005","90","","90","","90","","3126.16","0.19","","","","","","","","","","","","3","F d -3 m :2","-F 4vw 2vw 3","227","","","","- Al20 La V2 -","- Al20 La V2 -","- Al160 La8 V16 -","8","0.0416667","","Winiarski, M.J.; Wiendlocha, B.; Sternik, M.; Wisniewski, P.; O Brien, J.R.; Kaczorowski, D.; Klimczuk, T.","Rattling-enhanced superconductivity in MV2Al20 (M = Sc, Lu, Y) intermetallic cage compounds","Physical Review B","2016","93","","134507","134507","10.1103/PhysRevB.93.134507","","","","","","0.0793","","","","","","","","","","","","","","","has coordinates","182177","2020-10-21","18:00:00",""
"1543140","14.513","0.0001","14.513","0.0001","14.513","0.0001","90","","90","","90","","3056.83","0.04","","","","","","","","","","","","3","F d -3 m :2","-F 4vw 2vw 3","227","","","","- Al20 Lu V2 -","- Al20 Lu V2 -","- Al160 Lu8 V16 -","8","0.0416667","","Winiarski, M.J.; Wiendlocha, B.; Sternik, M.; Wisniewski, P.; O Brien, J.R.; Kaczorowski, D.; Klimczuk, T.","Rattling-enhanced superconductivity in MV2Al20 (M = Sc, Lu, Y) intermetallic cage compounds","Physical Review B","2016","93","","134507","134507","10.1103/PhysRevB.93.134507","","","","","","0.0614","","","","","","","","","","","","","","","has coordinates","182178","2020-10-21","18:00:00",""
"1543141","13.4369","0.001","13.7007","0.0009","15.474","0.0011","71.074","0.005","67.743","0.005","66.374","0.005","2364.9","0.3","200","","200","","","","","","","","","8","P -1","-P 1","2","","","","- C52 H38 Cl2 F3 N2 O7 P S -","- C52 H38 Cl2 F3 N2 O7 P S -","- C104 H76 Cl4 F6 N4 O14 P2 S2 -","2","1","","Nishikawa, Yasuhiro; Nakano, Saki; Tahira, Yuu; Terazawa, Kanako; Yamazaki, Ken; Kitamura, Chitoshi; Hara, Osamu","Chiral Pyridinium Phosphoramide as a Dual Brønsted Acid Catalyst for Enantioselective Diels-Alder Reaction.","Organic letters","2016","18","9","2004","2007","10.1021/acs.orglett.6b00608","","x-ray","0.71073","MoKα","","0.1179","0.0713","","","0.1896","0.2196","","","","","","1.008","","","","has coordinates,has disorder","187984","2020-10-21","18:00:00",""
"1543142","13.9563","0.0009","14.4188","0.001","15.4405","0.0011","91.044","0.006","108.456","0.006","109.296","0.006","2755.5","0.4","180","0.1","180","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C90 H21 Cl F5 N -","- C90 H21 Cl F5 N -","- C180 H42 Cl2 F10 N2 -","2","1","","Lou, Ning; Li, Yanbang; Cui, Chengxing; Liu, Yajun; Gan, Liangbing","Preparation of Azafullerene C59NR5 and Fullerene Derivative C60NAr5 with a Pyridine Moiety on the Cage Skeleton.","Organic letters","2016","18","9","2236","2239","10.1021/acs.orglett.6b00872","","","0.71073","MoKα","","0.1451","0.0976","","","0.2564","0.2894","","","","","","1.043","","","","has coordinates,has disorder","184997","2020-10-21","18:00:00",""
"1543143","10.0293","0.0009","18.123","0.0017","10.7973","0.001","90","","97.475","0.006","90","","1945.8","0.3","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","4,4,5,5-Tetramethyl-2-[(<i>Z</i>)-1-(3-methylphenoxy)hex-1-en-2-yl]-1,3,2-dioxaborolane","","- C19 H29 B O3 -","- C19 H29 B O3 -","- C76 H116 B4 O12 -","4","1","XU4004","Li, Kai-Xiao; Wang, Xiao-Juan","4,4,5,5-Tetramethyl-2-[(<i>Z</i>)-1-(3-methylphenoxy)hex-1-en-2-yl]-1,3,2-dioxaborolane","IUCrData","2016","1","4","x160611","","10.1107/S2414314616006118","","","0.71073","MoKα","","0.0882","0.0517","","","0.1473","0.1681","","","","","","1.094","","","","has coordinates,has Fobs","182208","2020-10-21","18:00:00",""
"1543144","5.0643","0.0003","12.8006","0.0007","20.554","0.0011","90","","91.076","0.002","90","","1332.2","0.13","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","4-Bromo-<i>N</i>-(4-bromophenyl)benzenesulfonamide","","- C12 H9 Br2 N O2 S -","- C12 H9 Br2 N O2 S -","- C48 H36 Br8 N4 O8 S4 -","4","1","ZQ4006","Rodrigues, Vinola Z.; Naveen, S.; Lokanath, N. K.; Suchetan, P. A.","4-Bromo-<i>N</i>-(4-bromophenyl)benzenesulfonamide","IUCrData","2016","1","4","x160631","","10.1107/S2414314616006313","","","1.54178","CuKα","","0.0619","0.0613","","","0.1797","0.1811","","","","","","1.156","","","","has coordinates,has Fobs","182209","2020-10-21","18:00:00",""
"1543145","7.7265","0.0002","13.4792","0.0004","14.5827","0.0003","90","","96.073","0.001","90","","1510.22","0.07","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","1,2,3,3-Tetramethyl-7-nitro-3,4-dihydroisoquinolinium tetrafluoroborate","","- C13 H17 B F4 N2 O2 -","- C13 H17 B F4 N2 O2 -","- C52 H68 B4 F16 N8 O8 -","4","1","BG4001","Bouzid, Mouna; Hrizi, Chakib; Kammoun, Majed","1,2,3,3-Tetramethyl-7-nitro-3,4-dihydroisoquinolinium tetrafluoroborate","IUCrData","2016","1","4","x160619","","10.1107/S2414314616006192","","","0.71073","MoKα","","0.0938","0.068","","","0.2189","0.244","","","","","","1.045","","","","has coordinates,has Fobs","182210","2020-10-21","18:00:00",""
"1543146","11.64797","0.00017","12.20869","0.00017","25.7274","0.0004","90","","90","","90","","3658.6","0.09","294","1","294","0.2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","(25<i>R</i>)-3β,16β-Diacetoxy-23-acetyl-22,26-epoxycholesta-5,22-diene <i>n</i>-hexane 0.8-solvate","","- C37.8 H59.2 O6 -","- C37.8 H59.2 O6 -","- C151.2 H236.8 O24 -","4","1","ZP4003","Hernández Linares, María-Guadalupe; Carrasco-Carballo, Alan; Guerrero-Luna, Gabriel; Bernès, Sylvain; Aguirre Hernández, Gerardo","(25<i>R</i>)-3β,16β-Diacetoxy-23-acetyl-22,26-epoxycholesta-5,22-diene <i>n</i>-hexane 0.8-solvate","IUCrData","2016","1","4","x160622","","10.1107/S2414314616006222","","","1.54184","CuKα","","0.0469","0.0397","","","0.1","0.1061","","","","","","1.013","","","","has coordinates,has disorder,has Fobs","182211","2020-10-21","18:00:00",""
"1543147","6.1031","0.0002","8.4657","0.0003","18.0015","0.0006","90","","94.016","0.001","90","","927.8","0.05","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C20 H28 O5 -","- C20 H28 O5 -","- C40 H56 O10 -","2","1","","Hu, Linzhen; Xue, Yongbo; Zhang, Jinwen; Zhu, Hucheng; Chen, Chunmei; Li, Xiao-Nian; Liu, Junjun; Wang, Zhenzhen; Zhang, Yu; Zhang, Yonghui","(±)-Japonicols A-D, Acylphloroglucinol-Based Meroterpenoid Enantiomers with Anti-KSHV Activities from Hypericum japonicum.","Journal of natural products","2016","79","5","1322","1328","10.1021/acs.jnatprod.5b01119","","","1.54178","CuKα","","0.0318","0.0317","","","0.081","0.0811","","","","","","1.054","","","","has coordinates","183585","2020-10-21","18:00:00",""
"1543148","9.9306","0.0012","13.3269","0.0016","14.2698","0.0017","90","","90","","90","","1888.5","0.4","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C20 H30 O6 -","- C20 H30 O6 -","- C80 H120 O24 -","4","1","","Hu, Linzhen; Xue, Yongbo; Zhang, Jinwen; Zhu, Hucheng; Chen, Chunmei; Li, Xiao-Nian; Liu, Junjun; Wang, Zhenzhen; Zhang, Yu; Zhang, Yonghui","(±)-Japonicols A-D, Acylphloroglucinol-Based Meroterpenoid Enantiomers with Anti-KSHV Activities from Hypericum japonicum.","Journal of natural products","2016","79","5","1322","1328","10.1021/acs.jnatprod.5b01119","","","1.54178","CuKα","","0.0322","0.03","","","0.073","0.0832","","","","","","1.06","","","","has coordinates","183585","2020-10-21","18:00:00",""
"1543149","11.6475","0.0011","12.2234","0.0007","15.9268","0.0008","90","","90","","90","","2267.5","0.3","101.8","","101.8","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C25 H28 O7 -","- C25 H28 O7 -","- C100 H112 O28 -","4","1","","Sun, Jing; Zhu, Zhi-Xiang; Song, Yue-Lin; Dong, Dan; Zheng, Jiao; Liu, Ting; Zhao, Yun-Fang; Ferreira, Daneel; Zjawiony, Jordan K.; Tu, Peng-Fei; Li, Jun","Nitric Oxide Inhibitory Meroterpenoids from the Fungus Penicillium purpurogenum MHZ 111.","Journal of natural products","2016","79","5","1415","1422","10.1021/acs.jnatprod.6b00160","","","1.5418","CuKα","","0.0394","0.0377","","","0.096","0.0976","","","","","","1.042","","","","has coordinates","183587","2020-10-21","18:00:00",""
"1543150","12.6572","0.0004","6.67349","0.00019","15.317","0.0005","90","","97.611","0.003","90","","1282.39","0.07","103.3","","103.3","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C24 H28 O10.79 -","- C24 H28 O10.79 -","- C48 H56 O21.58 -","2","1","","Sun, Jing; Zhu, Zhi-Xiang; Song, Yue-Lin; Dong, Dan; Zheng, Jiao; Liu, Ting; Zhao, Yun-Fang; Ferreira, Daneel; Zjawiony, Jordan K.; Tu, Peng-Fei; Li, Jun","Nitric Oxide Inhibitory Meroterpenoids from the Fungus Penicillium purpurogenum MHZ 111.","Journal of natural products","2016","79","5","1415","1422","10.1021/acs.jnatprod.6b00160","","","1.5418","CuKα","","0.0635","0.0619","","","0.1767","0.179","","","","","","1.064","","","","has coordinates,has disorder","183587","2020-10-21","18:00:00",""
"1543151","26.8752","0.0002","11.059","0.0001","12.0165","0.0001","90","","111.962","0.003","90","","3312.28","0.08","193","","193","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","(1S,2S,3R,3aR,4R,7S,7aR)-2-(3-hydroxy-2,2-dimethylpropyl)-1-methyl-3 -(prop-1-en-2-yl)-2,3,3a,4,7,7a-hexahydro-1H-4,7-methanoinden-1-ol","","- C19 H30 O2 -","- C19 H30 O2 -","- C152 H240 O16 -","8","1","","Parthasarathy, Gowrisankar; Eggert, Ulrike; Kalesse, Markus","Synthesis of (+)-Omphadiol and (+)-Pyxidatol C.","Organic letters","2016","18","9","2320","2322","10.1021/acs.orglett.6b00814","","","1.54187","CuKα","","0.0448","0.0433","","","0.1151","0.1166","","","","","","1.052","","","","has coordinates","184989","2020-10-21","18:00:00",""
"1543152","6.0481","0.0003","15.9843","0.0008","19.4099","0.001","90","","90","","90","","1876.45","0.16","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C21 H18 F3 N O3 -","- C21 H18 F3 N O3 -","- C84 H72 F12 N4 O12 -","4","1","","Vamisetti, Ganga B.; Chowdhury, Raghunath; Kumar, Mukesh; Ghosh, Sunil K.","“On Water” Organocatalyzed [4 + 2] Cycloaddition of Enones and Nitro Dienes for the Enantioselective Synthesis of Densely Substituted Cyclohexanones","Organic Letters","2016","","","","","10.1021/acs.orglett.6b00460","","","1.54184","CuKα","","0.0998","0.0857","","","0.238","0.2589","","","","","","1.049","","","","has coordinates","182278","2020-10-21","18:00:00",""
"1543153","5.9375","0.0005","12.3627","0.0014","12.7571","0.0011","90","","99.297","0.008","90","","924.12","0.15","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C20 H18 Cl N O3 -","- C20 H18 Cl N O3 -","- C40 H36 Cl2 N2 O6 -","2","1","","Vamisetti, Ganga B.; Chowdhury, Raghunath; Kumar, Mukesh; Ghosh, Sunil K.","“On Water” Organocatalyzed [4 + 2] Cycloaddition of Enones and Nitro Dienes for the Enantioselective Synthesis of Densely Substituted Cyclohexanones","Organic Letters","2016","","","","","10.1021/acs.orglett.6b00460","","","1.54184","CuKα","","0.0974","0.0601","","","0.1346","0.1741","","","","","","1.003","","","","has coordinates","182278","2020-10-21","18:00:00",""
"1543154","5.9479","0.0005","12.3464","0.0013","12.9363","0.0012","90","","99.635","0.008","90","","936.58","0.15","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C20 H18 Br N O3 -","- C20 H18 Br N O3 -","- C40 H36 Br2 N2 O6 -","2","1","","Vamisetti, Ganga B.; Chowdhury, Raghunath; Kumar, Mukesh; Ghosh, Sunil K.","“On Water” Organocatalyzed [4 + 2] Cycloaddition of Enones and Nitro Dienes for the Enantioselective Synthesis of Densely Substituted Cyclohexanones","Organic Letters","2016","","","","","10.1021/acs.orglett.6b00460","","","1.54184","CuKα","","0.1018","0.0619","","","0.1616","0.196","","","","","","0.981","","","","has coordinates","182278","2020-10-21","18:00:00",""
"1543155","6.04125","0.00016","9.8526","0.0004","31.9892","0.0011","90","","90","","90","","1904.06","0.11","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C20 H17 Br2 N O3 -","- C20 H17 Br2 N O3 -","- C80 H68 Br8 N4 O12 -","4","1","","Vamisetti, Ganga B.; Chowdhury, Raghunath; Kumar, Mukesh; Ghosh, Sunil K.","“On Water” Organocatalyzed [4 + 2] Cycloaddition of Enones and Nitro Dienes for the Enantioselective Synthesis of Densely Substituted Cyclohexanones","Organic Letters","2016","","","","","10.1021/acs.orglett.6b00460","","","1.54184","CuKα","","0.0766","0.0629","","","0.1633","0.1745","","","","","","1.073","","","","has coordinates","182278","2020-10-21","18:00:00",""
"1543156","7.8318","0.0006","10.2287","0.0009","13.5191","0.0012","108.782","0.003","106.051","0.003","94.161","0.003","969.7","0.15","100","0.2","100","0.2","","","","","","","","4","P -1","-P 1","2","","Diethyl 2 -(3-(4-aminophenyl)-4-cyano-5-(dimethylamino)-1H-pyrrol-2-yl)malonate","","- C20 H24 N4 O4 -","- C20 H24 N4 O4 -","- C40 H48 N8 O8 -","2","1","","Reekie, Tristan A.; Donckele, Etienne J.; Manenti, Giorgio; Püntener, Salome; Trapp, Nils; Diederich, François","A Three-Step Synthesis of Tetrasubstituted NH-Pyrroles.","Organic letters","2016","18","9","2252","2255","10.1021/acs.orglett.6b00890","","x-ray","0.71073","MoKα","","0.0526","0.04","","","0.0969","0.1044","","","","","","1.04","","","","has coordinates","184991","2020-10-21","18:00:00",""
"1543157","15.0264","0.0017","19.058","0.002","15.9395","0.0019","90","","112.057","0.003","90","","4230.6","0.8","100","0.2","100","0.2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H28 N4 O4 -","- C22 H28 N4 O4 -","- C176 H224 N32 O32 -","8","2","","Reekie, Tristan A.; Donckele, Etienne J.; Manenti, Giorgio; Püntener, Salome; Trapp, Nils; Diederich, François","A Three-Step Synthesis of Tetrasubstituted NH-Pyrroles.","Organic letters","2016","18","9","2252","2255","10.1021/acs.orglett.6b00890","","x-ray","0.71073","MoKα","","0.0762","0.0479","","","0.1115","0.1261","","","","","","1.018","","","","has coordinates","184991","2020-10-21","18:00:00",""
"1543158","8.514","0.0003","22.5","0.0007","11.0395","0.0004","90","","107.154","0.001","90","","2020.71","0.12","100","0.2","100","0.2","","","","","","","","5","P 1 21 1","P 2yb","4","","diethyl 2-(5-amino-4-cyano-3-(4-(dimethylamino)phenyl)thiophen-2-yl)malonate","","- C20 H23 N3 O4 S -","- C20 H23 N3 O4 S -","- C80 H92 N12 O16 S4 -","4","2","","Reekie, Tristan A.; Donckele, Etienne J.; Manenti, Giorgio; Püntener, Salome; Trapp, Nils; Diederich, François","A Three-Step Synthesis of Tetrasubstituted NH-Pyrroles.","Organic letters","2016","18","9","2252","2255","10.1021/acs.orglett.6b00890","","x-ray","0.71073","MoKα","","0.037","0.0328","","","0.0791","0.0812","","","","","","1.043","","","","has coordinates","184991","2020-10-21","18:00:00",""
"1543159","9.5426","0.0006","13.1663","0.0009","16.2954","0.001","90","","101.215","0.002","90","","2008.3","0.2","100","0.2","100","0.2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Diethyl 2-(4-cyano-5-(dimethylamino)-3-(4-nitrophenyl)-1H-pyrrol-2-yl)malonate","","- C20 H22 N4 O6 -","- C20 H22 N4 O6 -","- C80 H88 N16 O24 -","4","1","","Reekie, Tristan A.; Donckele, Etienne J.; Manenti, Giorgio; Püntener, Salome; Trapp, Nils; Diederich, François","A Three-Step Synthesis of Tetrasubstituted NH-Pyrroles.","Organic letters","2016","18","9","2252","2255","10.1021/acs.orglett.6b00890","","x-ray","0.71073","MoKα","","0.0789","0.0478","","","0.1049","0.1195","","","","","","1.029","","","","has coordinates,has disorder","184991","2020-10-21","18:00:00",""
"1543160","8.8","0.006","10.295","0.007","21.034","0.014","90.156","0.012","93.24","0.012","91.754","0.012","1902","2","296","2","296","2","","","","","","","","3","P -1","-P 1","2","","","","- C26 H20 O -","- C26 H20 O -","- C104 H80 O4 -","4","2","","Luo, Lei; Zheng, Huayu; Liu, Jingjing; Wang, Hui; Wang, Yaoyu; Luan, Xinjun","Highly Chemo- and Regioselective Construction of Spirocarbocycles by a Pd(0)-Catalyzed Dearomatization of Phenol-Based Biaryls with 1,3-Dienes.","Organic letters","2016","18","9","2082","2085","10.1021/acs.orglett.6b00710","","","0.71073","MoKα","","0.1769","0.1107","","","0.298","0.3445","","","","","","0.988","","","","has coordinates","214153","2020-10-21","18:00:00",""
"1543161","8.7878","0.0005","20.2223","0.0011","29.819","0.0016","90","","90","","90","","5299.1","0.5","298","2","298","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C28 H40 O5 -","- C28 H40 O5 -","- C224 H320 O40 -","8","2","","Hu, Linzhen; Zhang, Yu; Zhu, Hucheng; Liu, Junjun; Li, Hua; Li, Xiao-Nian; Sun, Weiguang; Zeng, Junfen; Xue, Yongbo; Zhang, Yonghui","Filicinic Acid Based Meroterpenoids with Anti-Epstein-Barr Virus Activities from Hypericum japonicum.","Organic letters","2016","18","9","2272","2275","10.1021/acs.orglett.6b00906","","","1.54178","CuKα","","0.0473","0.0448","","","0.1168","0.1191","","","","","","1.065","","","","has coordinates","184994","2020-10-21","18:00:00",""
"1543162","21.2968","0.0003","7.11439","0.00011","21.9163","0.0004","90","","108.646","0.0018","90","","3146.32","0.09","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C17 H13 N O3 S -","- C17 H13 N O3 S -","- C136 H104 N8 O24 S8 -","8","2","","Chen, Ming; Yang, Chao; Wang, Yanpei; Li, Dazhi; Xia, Wujiong","UV Light Induced Direct Synthesis of Phenanthrene Derivatives from a Linear 3-Aryl-N-(arylsulfonyl) Propiolamides.","Organic letters","2016","18","9","2280","2283","10.1021/acs.orglett.6b00878","","x-ray","1.54184","CuKα","","0.0685","0.0501","","","0.1463","0.1612","","","","","","1.056","","","","has coordinates","184995","2020-10-21","18:00:00",""
"1543163","6.8436","0.0005","10.3886","0.0006","9.9058","0.0006","90","","104.893","0.007","90","","680.6","0.08","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C16 H10 F N O3 S -","- C16 H10 F N O3 S -","- C32 H20 F2 N2 O6 S2 -","2","1","","Chen, Ming; Yang, Chao; Wang, Yanpei; Li, Dazhi; Xia, Wujiong","UV Light Induced Direct Synthesis of Phenanthrene Derivatives from a Linear 3-Aryl-N-(arylsulfonyl) Propiolamides.","Organic letters","2016","18","9","2280","2283","10.1021/acs.orglett.6b00878","","x-ray","0.71073","MoKα","","0.0671","0.05","","","0.1079","0.1216","","","","","","1.066","","","","has coordinates","184995","2020-10-21","18:00:00",""
"1543164","11.5438","0.0012","13.25","0.0013","19.248","0.002","84.314","0.002","82.576","0.003","64.917","0.002","2640.9","0.5","113","2","113","2","","","","","","","","2","P -1","-P 1","2","compound 1","2,2',13,13'-tetra-tert-butyl-11,11'-bibenzo[b]perylenyl","","- C71 H66 -","- C71 H66 -","- C142 H132 -","2","1","","Uchida, Yosuke; Hirose, Takashi; Nakashima, Takuya; Kawai, Tsuyoshi; Matsuda, Kenji","Synthesis and Photophysical Properties of a 13,13'-Bibenzo[b]perylenyl Derivative as a π-Extended 1,1'-Binaphthyl Analog.","Organic letters","2016","18","9","2118","2121","10.1021/acs.orglett.6b00747","","","0.71075","MoKα","","0.1067","0.0738","","","0.2229","0.2649","","","","","","1.118","","","","has coordinates,has disorder","184999","2020-10-21","18:00:00",""
"1543165","8.2585","0.0002","7.2677","0.0001","44.4667","0.0008","90","","90","","90","","2668.9","0.09","296","2","296","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","1-[(2<i>E</i>)-3-Phenylprop-2-en-1-yl]-1<i>H</i>-indole-2,3-dione","","- C17 H13 N O2 -","- C17 H13 N O2 -","- C136 H104 N8 O16 -","8","1","SU4035","Qachchachi, Fatima Zahrae; Kandri Rodi, Youssef; Haoudi, Amal; Essassi, El Mokhtar; Capet, Frédéric; Zouihri, Hafid","1-[(2<i>E</i>)-3-Phenylprop-2-en-1-yl]-1<i>H</i>-indole-2,3-dione","IUCrData","2016","1","4","x160633","","10.1107/S2414314616006337","","","0.71073","MoKα","","0.0843","0.0471","","","0.11","0.1268","","","","","","1.036","","","","has coordinates,has Fobs","182305","2020-10-21","18:00:00",""
"1543166","9.7478","0.0003","25.2229","0.0008","8.6354","0.0002","90","","101.733","0.002","90","","2078.8","0.1","295","","295","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","(±)-3-<i>tert</i>-Butyl-4-(4-chlorophenyl)-1-phenyl-1<i>H</i>-pyrazolo[3,4-<i>e</i>][1,4]thiazepin-7(4<i>H</i>,6<i>H</i>,8<i>H</i>)-one","","","- C22 H22 Cl N3 O S -","- C22 H22 Cl N3 O S -","- C88 H88 Cl4 N12 O4 S4 -","4","1","HG4005","Moreno-Fuquen, Rodolfo; Castillo, Juan C.; Abonia, Rodrigo; Tenorio, Juan C.; Ellena, Javier","3-<i>tert</i>-Butyl-4-(4-chlorophenyl)-1-phenyl-1<i>H</i>-pyrazolo[3,4-<i>e</i>][1,4]thiazepin-7(4<i>H</i>,6<i>H</i>,8<i>H</i>)-one","IUCrData","2016","1","4","x160608","","10.1107/S2414314616006088","","","0.71073","MoKα","","0.108","0.0483","","","0.1037","0.1146","","","","","","0.945","","","","has coordinates,has Fobs","182306","2020-10-21","18:00:00",""
"1543167","9.5461","0.0005","11.8724","0.0006","15.9962","0.0008","90","","90.104","0.002","90","","1812.93","0.16","150","2","150","2","","","","","","","","4","P 1 21 1","P 2yb","4","","<i>N</i>'-[(<i>E</i>)-2-Hydroxybenzylidene]-2-(6-methoxynaphthalen-2-yl)propanohydrazide","","- C21 H20 N2 O3 -","- C21 H20 N2 O3 -","- C84 H80 N8 O12 -","4","2","SJ4025","Mohamed, Shaaban K.; Mague, Joel T.; Akkurt, Mehmet; Mohamed, Alaa F.; Albayati, Mustafa R.","<i>N</i>'-[(<i>E</i>)-2-Hydroxybenzylidene]-2-(6-methoxynaphthalen-2-yl)propanohydrazide: a redetermination","IUCrData","2016","1","4","x160662","","10.1107/S2414314616006623","","","1.54178","CuKα","","0.0506","0.0423","","","0.1027","0.1085","","","","","","1.028","","","","has coordinates,has disorder,has Fobs","182307","2020-10-21","18:00:00",""
"1543168","8.5765","0.0002","9.8469","0.0002","10.2677","0.0002","78.903","0.001","79.552","0.001","68.655","0.001","786.65","0.03","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","Trimethyl 3,3',3''-(benzene-1,3,5-triyl)tripropynoate","","- C18 H12 O6 -","- C18 H12 O6 -","- C36 H24 O12 -","2","1","ZP4005","Katzsch, Felix; Gruber, Tobias; Weber, Edwin","Trimethyl 3,3',3''-(benzene-1,3,5-triyl)tripropynoate","IUCrData","2016","1","4","x160629","","10.1107/S2414314616006295","","","0.71073","MoKα","","0.032","0.0298","","","0.0809","0.0823","","","","","","1.084","","","","has coordinates,has Fobs","182308","2020-10-21","18:00:00",""
"1543169","10.5993","0.0003","9.7641","0.0003","12.4435","0.0004","90","","109.065","0.001","90","","1217.17","0.06","100","","100","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","3,5-Di-<i>tert</i>-butyl-1<i>H</i>-pyrazole-4-carbonitrile","","- C12 H19 N3 -","- C12 H19 N3 -","- C48 H76 N12 -","4","1","","Zhao, Ningfeng; Akwataghibe, Kelechi; Pompilius, Arielle; Shelly, Everett","3,5-Di-<i>tert</i>-butyl-1<i>H</i>-pyrazole-4-carbonitrile","IUCrData","2016","1","4","x160673","","10.1107/S2414314616006738","","","1.54178","CuKα","","0.0386","0.0366","","","0.0942","0.0958","","","","","","1.054","","","","has coordinates,has disorder,has Fobs","182309","2020-10-21","18:00:00",""
"1543170","29.063","0.002","9.9393","0.0006","25.645","0.003","90","","121.609","0.003","90","","6309","1","100","2","100","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","Di-μ-dimethylformamide-κ^4^<i>O</i>:<i>O</i>-μ-tetrahydrofuran-κ^2^<i>O</i>:<i>O</i>-bis[(tetrahydrofuran-κ<i>O</i>)sodium(I)] bis(μ-3,6-dichlorobenzene-1,2-dithiolato-κ^3^<i>S</i>,<i>S</i>':<i>S</i>)bis[(3,6-dichlorobenzene-1,2-dithiolato-κ^2^<i>S</i>,<i>S</i>')iron(III)]","","- C50 H62 Cl8 Fe2 N2 Na2 O7 S8 -","- C50 H62 Cl8 Fe2 N2 Na2 O7 S8 -","- C200 H248 Cl32 Fe8 N8 Na8 O28 S32 -","4","0.5","BH4005","Barrio, Jesús; Delgado, Esther; Hernández, Diego; Hernández, Elisa; Perles, Josefina; Zamora, Félix","Di-μ-dimethylformamide-κ^4^<i>O</i>:<i>O</i>-μ-tetrahydrofuran-κ^2^<i>O</i>:<i>O</i>-bis[(tetrahydrofuran-κ<i>O</i>)sodium(I)] bis(μ-3,6-dichlorobenzene-1,2-dithiolato-κ^3^<i>S</i>,<i>S</i>':<i>S</i>)bis[(3,6-dichlorobenzene-1,2-dithiolato-κ^2^<i>S</i>,<i>S</i>')iron(III)]","IUCrData","2016","1","4","x160643","","10.1107/S241431461600643X","","","0.71073","MoKα","","0.1076","0.0622","","","0.1447","0.1691","","","","","","1.036","","","","has coordinates,has Fobs","182310","2020-10-21","18:00:00",""
"1543171","5.7634","0.0002","8.2218","0.0002","12.0915","0.0003","105.541","0.0014","102.539","0.0016","97.4291","0.0014","528.03","0.03","296","2","296","2","","","","","","","","3","P -1","-P 1","2","","(<i>E</i>)-4-(4-Ethoxyphenyl)but-3-en-2-one","","- C12 H14 O2 -","- C12 H14 O2 -","- C24 H28 O4 -","2","1","","Kamalini, G. Joseline Sheeba; Sugaraj, Samuel R.; Reuben Jonathan, D.; Revathi, B. K.; Usha, G.","(<i>E</i>)-4-(4-Ethoxyphenyl)but-3-en-2-one","IUCrData","2016","1","4","x160610","","10.1107/S2414314616006106","","","0.71073","MoKα","","0.0461","0.0391","","","0.1129","0.121","","","","","","1.031","","","","has coordinates,has Fobs","182311","2020-10-21","18:00:00",""
"1543172","8.8388","0.0003","17.7686","0.0006","16.9487","0.0006","90","","94.159","0.002","90","","2654.84","0.16","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Ethyl 3-amino-4-(4-chlorophenyl)-2-[(4-methoxyphenyl)carbamoyl]-6-phenylthieno[2,3-<i>b</i>]pyridine-5-carboxylate","","- C30 H24 Cl N3 O4 S -","- C30 H24 Cl N3 O4 S -","- C120 H96 Cl4 N12 O16 S4 -","4","1","SU4032","Bakhite, Etify A.; Mague, Joel T.; Mohamed, Shaaban K.; Akkurt, Mehmet; Al-Taifi, Elham A.","Ethyl 3-amino-4-(4-chlorophenyl)-2-[(4-methoxyphenyl)carbamoyl]-6-phenylthieno[2,3-<i>b</i>]pyridine-5-carboxylate","IUCrData","2016","1","4","x160657","","10.1107/S241431461600657X","","","1.54178","CuKα","","0.0456","0.037","","","0.0884","0.0935","","","","","","1.022","","","","has coordinates,has Fobs","182312","2020-10-21","18:00:00",""
"1543173","8.9885","0.0013","15.43","0.002","11.4182","0.0016","90","","91.806","0.002","90","","1582.8","0.4","170","2","170","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","<i>catena</i>-Poly[[[[bis(pyridin-2-yl-κ<i>N</i>)amine]zinc(II)]-μ~2~-(2<i>E</i>,4<i>E</i>)-hexa-2,4-dienedioato-κ^4^<i>O</i>^1^,<i>O</i>^1'^:<i>O</i>^6^,<i>O</i>^6'^] monohydrate]","","- C16 H15 N3 O5 Zn -","- C16 H15 N3 O5 Zn -","- C64 H60 N12 O20 Zn4 -","4","1","LH4006","Lee, Do Nam; Kim, Youngmee","<i>catena</i>-Poly[[[[bis(pyridin-2-yl-κ<i>N</i>)amine]zinc(II)]-μ~2~-(2<i>E</i>,4<i>E</i>)-hexa-2,4-dienedioato-κ^4^<i>O</i>^1^,<i>O</i>^1'^:<i>O</i>^6^,<i>O</i>^6'^] monohydrate]","IUCrData","2016","1","4","x160636","","10.1107/S2414314616006362","","","0.71073","MoKα","","0.043","0.0343","","","0.0819","0.0834","","","","","","0.909","","","","has coordinates,has Fobs","182313","2020-10-21","18:00:00",""
"1543174","10.733","0.0004","16.0616","0.0006","20.9885","0.0008","96.662","0.002","102.673","0.001","98.067","0.001","3454.5","0.2","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","<i>N</i>'-Benzylidene-2-({5-[(4-chlorophenoxy)methyl]-4-phenyl-4<i>H</i>-1,2,4-triazol-3-yl}sulfanyl)acetohydrazide hemihydrate","","- C48 H42 Cl2 N10 O5 S2 -","- C48 H42 Cl2 N10 O5 S2 -","- C144 H126 Cl6 N30 O15 S6 -","3","1.5","SJ4023","Mague, Joel T.; Mohamed, Shaaban K.; Akkurt, Mehmet; Bakhite, Etify A.; Albayati, Mustafa R.","<i>N</i>'-Benzylidene-2-({5-[(4-chlorophenoxy)methyl]-4-phenyl-4<i>H</i>-1,2,4-triazol-3-yl}sulfanyl)acetohydrazide hemihydrate","IUCrData","2016","1","4","x160627","","10.1107/S2414314616006271","","","1.54178","CuKα","","0.0523","0.0402","","","0.1059","0.1146","","","","","","1.018","","","","has coordinates,has Fobs","182314","2020-10-21","18:00:00",""
"1543175","5.985","0.0003","21.0709","0.001","11.5617","0.0005","90","","100.423","0.002","90","","1433.98","0.12","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","3-Phenoxymethyl-6-phenyl-1,2,4-triazolo[3,4-<i>b</i>][1,3,4]thiadiazole","","- C16 H12 N4 O S -","- C16 H12 N4 O S -","- C64 H48 N16 O4 S4 -","4","1","SU4033","Mohamed, Shaaban K.; Mague, Joel T.; Akkurt, Mehmet; Bakhite, Etify A.; Albayati, Mustafa R.","3-Phenoxymethyl-6-phenyl-1,2,4-triazolo[3,4-<i>b</i>][1,3,4]thiadiazole","IUCrData","2016","1","4","x160626","","10.1107/S241431461600626X","","","1.54178","CuKα","","0.0407","0.0351","","","0.0856","0.0889","","","","","","1.03","","","","has coordinates,has Fobs","182315","2020-10-21","18:00:00",""
"1543176","16.5042","0.0004","9.6896","0.0003","18.1221","0.0005","90","","90","","90","","2898.07","0.14","296","2","296","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","1-Ethyl-4-phenyl-1<i>H</i>-1,5-benzodiazepin-2(3<i>H</i>)-one","","- C17 H16 N2 O -","- C17 H16 N2 O -","- C136 H128 N16 O8 -","8","1","","Essaghouani, Abdelhanine; Bouzian, Younos; Essassi, El Mokhtar; Saadi, Mohamed; El Ammari, Lahcen","1-Ethyl-4-phenyl-1<i>H</i>-1,5-benzodiazepin-2(3<i>H</i>)-one","IUCrData","2016","1","4","x160661","","10.1107/S2414314616006611","","","0.71073","MoKα","","0.0659","0.0483","","","0.1308","0.1458","","","","","","1.05","","","","has coordinates,has disorder,has Fobs","182316","2020-10-21","18:00:00",""
"1543177","12.4817","0.0006","12.3107","0.0006","8.5737","0.0004","90","","94.276","0.001","90","","1313.75","0.11","100.1","0.1","100.1","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","<i>N</i>-Benzylcinnamamide","<i>N</i>-Benzyl-3-phenylprop-2-enamide","","- C16 H15 N O -","- C16 H15 N O -","- C64 H60 N4 O4 -","4","1","","Bugenhagen, Bernhard; Al Jasem, Yosef; Thiemann, Thies","<i>N</i>-Benzylcinnamamide","IUCrData","2016","1","4","x160647","","10.1107/S2414314616006477","","","0.71073","MoKα","","0.04","0.0376","","","0.0958","0.0977","","","","","","1.036","","","","has coordinates,has Fobs","182317","2020-10-21","18:00:00",""
"1543178","7.2562","0.0002","16.4818","0.0005","18.0306","0.0006","90","","95.149","0.002","90","","2147.67","0.11","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2-[(4-Chlorophenyl)(2-phenyl-1<i>H</i>-indol-3-yl)methyl]cyclohexan-1-one","","- C27 H24 Cl N O -","- C27 H24 Cl N O -","- C108 H96 Cl4 N4 O4 -","4","1","BT4005","Venkatachalam, M.; Srinivasan, N.; Krishnakumar, R. V.; Chitra, S.; Manisankar, P.","2-[(4-Chlorophenyl)(2-phenyl-1<i>H</i>-indol-3-yl)methyl]cyclohexan-1-one","IUCrData","2016","1","4","x160644","","10.1107/S2414314616006441","","","0.71073","MoKα","","0.0734","0.0453","","","0.1087","0.1241","","","","","","1.035","","","","has coordinates,has Fobs","182318","2020-10-21","18:00:00",""
"1543179","7.2363","0.0002","24.26","0.0007","12.9049","0.0004","90","","105.603","0.001","90","","2182","0.11","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","Piperidinium 4-(4-chlorophenyl)-3-cyano-5-ethoxycarbonyl-6-methylpyridine-2-thiolate","Piperidin-1-ium [4-(4-chlorophenyl)-3-cyano-5-(ethoxycarbonyl)-6-methylpyridin-2-yl]sulfanide","","- C21 H24 Cl N3 O2 S -","- C21 H24 Cl N3 O2 S -","- C84 H96 Cl4 N12 O8 S4 -","4","1","XU4007","Mague, Joel T.; Akkurt, Mehmet; Mohamed, Shaaban K.; Bakhite, Etify A.; Albayati, Mustafa R.","Piperidinium 4-(4-chlorophenyl)-3-cyano-5-ethoxycarbonyl-6-methylpyridine-2-thiolate","IUCrData","2016","1","4","x160651","","10.1107/S2414314616006519","","","1.54178","CuKα","","0.0396","0.0364","","","0.0948","0.0974","","","","","","1.036","","","","has coordinates,has Fobs","182319","2020-10-21","18:00:00",""
"1543180","26.289","0.005","15.132","0.005","7.403","0.005","90","","95.179","0.005","90","","2933","2","293","","293","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","(4-Aminosulfonylphenyl)[(2-oxidonaphthalen-1-yl)imino]azanium","","","- C16 H13 N3 O3 S -","- C16 H13 N3 O3 S -","- C128 H104 N24 O24 S8 -","8","2","XU4006","Benosmane, A.; Rouag, D. A.; Mili, A.; Merazig, H.; Benaouida, M. A.","(4-Aminosulfonylphenyl)[(2-oxidonaphthalen-1-yl)imino]azanium","IUCrData","2016","1","4","x160658","","10.1107/S2414314616006581","","","0.71073","MoKα","","0.0878","0.0488","","","0.1068","0.1241","","","","","","1.055","","","","has coordinates,has Fobs","182320","2020-10-21","18:00:00",""
"1543181","7.593","0.003","11.744","0.004","16.592","0.005","90","","99.277","0.007","90","","1460.2","0.9","200","2","200","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H11 Br N2 O3 -","- C16 H11 Br N2 O3 -","- C64 H44 Br4 N8 O12 -","4","1","","Jeong, Jinseong; Park, Sehoon; Chang, Sukbok","Iridium-catalyzed selective 1,2-hydrosilylation of N-heterocycles","Chem. Sci.","2016","7","8","5362","","10.1039/C6SC01037G","","","0.71073","MoKα","","0.0885","0.0416","","","0.0813","0.1074","","","","","","1.021","","","","has coordinates","185149","2020-10-21","18:00:00",""
"1543182","9.1633","0.0007","9.3697","0.0007","16.2725","0.0013","80.079","0.007","75.592","0.007","68.886","0.007","1257.03","0.18","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C27 H28 F3 N3 O4 S -","- C27 H28 F3 N3 O4 S -","- C54 H56 F6 N6 O8 S2 -","2","1","","Berry, Stuart N.; Soto-Cerrato, Vanessa; Howe, Ethan N. W.; Clarke, Harriet J.; Mistry, Ishna; Tavassoli, Ali; Chang, Young-Tae; Pérez-Tomás, Ricardo; Gale, Philip A.","Fluorescent transmembrane anion transporters: shedding light on anionophoric activity in cells","Chem. Sci.","2016","7","8","5069","","10.1039/C6SC01643J","","x-ray","0.71073","MoKα","","0.1711","0.0878","","","0.1784","0.2178","","","","","","1.034","","","","has coordinates","185150","2020-10-21","18:00:00",""
"1543183","11.2679","0.0014","13.3101","0.0017","15.2998","0.0019","100.653","0.002","107.431","0.002","110.833","0.002","1933.8","0.4","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H44 B20 Ni P2 -","- C30 H44 B20 Ni P2 -","- C60 H88 B40 Ni2 P4 -","2","1","","Kirlikovali, Kent O.; Axtell, Jonathan C.; Gonzalez, Alejandra; Phung, Alice C.; Khan, Saeed I.; Spokoyny, Alexander M.","Luminescent metal complexes featuring photophysically innocent boron cluster ligands","Chem. Sci.","2016","7","8","5132","","10.1039/C6SC01146B","","","0.71073","MoKα","","0.0647","0.0396","","","0.0892","0.0999","","","","","","1.02","","","","has coordinates","185151","2020-10-21","18:00:00",""
"1543184","21.7659","0.0017","10.9289","0.0009","25.019","0.002","90","","96.4644","0.001","90","","5913.6","0.8","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C54 H68 B20 P2 Pd -","- C54 H68 B20 P2 Pd -","- C216 H272 B80 P8 Pd4 -","4","1","","Kirlikovali, Kent O.; Axtell, Jonathan C.; Gonzalez, Alejandra; Phung, Alice C.; Khan, Saeed I.; Spokoyny, Alexander M.","Luminescent metal complexes featuring photophysically innocent boron cluster ligands","Chem. Sci.","2016","7","8","5132","","10.1039/C6SC01146B","","","0.71073","MoKα","","0.0337","0.026","","","0.0682","0.0725","","","","","","1.017","","","","has coordinates","185151","2020-10-21","18:00:00",""
"1543185","11.2436","0.0008","13.3586","0.001","15.2381","0.0011","102.533","0.001","106.157","0.001","111.37","0.001","1913.1","0.2","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H44 B20 P2 Pt -","- C30 H44 B20 P2 Pt -","- C60 H88 B40 P4 Pt2 -","2","1","","Kirlikovali, Kent O.; Axtell, Jonathan C.; Gonzalez, Alejandra; Phung, Alice C.; Khan, Saeed I.; Spokoyny, Alexander M.","Luminescent metal complexes featuring photophysically innocent boron cluster ligands","Chem. Sci.","2016","7","8","5132","","10.1039/C6SC01146B","","","0.71073","MoKα","","0.031","0.0235","","","0.0527","0.0548","","","","","","1.05","","","","has coordinates","185151","2020-10-21","18:00:00",""
"1543186","10.7808","0.0009","14.3611","0.0012","15.6014","0.0013","63.9504","0.0012","79.9962","0.0013","76.7773","0.0013","2105.1","0.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C32 H64 B20 N2 O2 Pt -","- C32.055 H64.11 B20 N2 O2.011 Pt -","- C64.11 H128.22 B40 N4 O4.022 Pt2 -","2","1","","Kirlikovali, Kent O.; Axtell, Jonathan C.; Gonzalez, Alejandra; Phung, Alice C.; Khan, Saeed I.; Spokoyny, Alexander M.","Luminescent metal complexes featuring photophysically innocent boron cluster ligands","Chem. Sci.","2016","7","8","5132","","10.1039/C6SC01146B","","","0.71073","MoKα","","0.0173","0.0158","","","0.0389","0.0395","","","","","","1.068","","","","has coordinates,has disorder","185151","2020-10-21","18:00:00",""
"1543187","10.8488","0.0011","13.1236","0.0014","16.511","0.0017","112.701","0.001","97.749","0.001","94.541","0.001","2126.6","0.4","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C64 H130 B40 N4 O Pt2 -","- C64 H130 B40 N4 O Pt2 -","- C64 H130 B40 N4 O Pt2 -","1","0.5","","Kirlikovali, Kent O.; Axtell, Jonathan C.; Gonzalez, Alejandra; Phung, Alice C.; Khan, Saeed I.; Spokoyny, Alexander M.","Luminescent metal complexes featuring photophysically innocent boron cluster ligands","Chem. Sci.","2016","7","8","5132","","10.1039/C6SC01146B","","","0.71073","MoKα","","0.0636","0.046","","","0.0899","0.1023","","","","","","1.123","","","","has coordinates,has disorder","185151","2020-10-21","18:00:00",""
"1543188","7.2892","0.0004","17.2701","0.0011","9.625","0.0006","90","","97.582","0.004","90","","1201.05","0.13","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C12 H38 B20 -","- C12 H38 B20 -","- C24 H76 B40 -","2","0.5","","Kirlikovali, Kent O.; Axtell, Jonathan C.; Gonzalez, Alejandra; Phung, Alice C.; Khan, Saeed I.; Spokoyny, Alexander M.","Luminescent metal complexes featuring photophysically innocent boron cluster ligands","Chem. Sci.","2016","7","8","5132","","10.1039/C6SC01146B","","","1.54178","CuKα","","0.0537","0.0513","","","0.1463","0.1489","","","","","","1.089","","","","has coordinates","215051","2020-10-21","18:00:00",""
"1543189","10.298","","9.153","","10.795","","90","","104.69","","90","","984.25","","153","2","153","2","","","","","","","","3","P 1 21 1","P 2yb","4","","m-P4A","","- C27 H20 O -","- C27 H20 O -","- C54 H40 O2 -","2","1","","Xu, Bingjia; Li, Wenlang; He, Jiajun; Wu, Sikai; Zhu, Qiangzhong; Yang, Zhiyong; Wu, Yuan-Chun; Zhang, Yi; Jin, Chongjun; Lu, Po-Yen; Chi, Zhenguo; Liu, Siwei; Xu, Jiarui; Bryce, Martin R.","Achieving very bright mechanoluminescence from purely organic luminophores with aggregation-induced emission by crystal design","Chem. Sci.","2016","7","8","5307","","10.1039/C6SC01325B","","","1.54178","CuKα","","0.0475","0.0448","","","0.12","0.1232","","","","","","1.061","","","","has coordinates","185156","2020-10-21","18:00:00",""
"1543190","11.475","","8.27","","20.338","","90","","103.7","","90","","1875.13","","153","2","153","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","p-FP2A","","- C27 H18 O -","- C27 H18 O -","- C108 H72 O4 -","4","1","","Xu, Bingjia; Li, Wenlang; He, Jiajun; Wu, Sikai; Zhu, Qiangzhong; Yang, Zhiyong; Wu, Yuan-Chun; Zhang, Yi; Jin, Chongjun; Lu, Po-Yen; Chi, Zhenguo; Liu, Siwei; Xu, Jiarui; Bryce, Martin R.","Achieving very bright mechanoluminescence from purely organic luminophores with aggregation-induced emission by crystal design","Chem. Sci.","2016","7","8","5307","","10.1039/C6SC01325B","","","1.54178","CuKα","","0.0408","0.0384","","","0.0976","0.0997","","","","","","1.034","","","","has coordinates","185156","2020-10-21","18:00:00",""
"1543191","9.9253","0.0007","9.3614","0.0005","22.1685","0.0016","90","","99.015","0.007","90","","2034.3","0.2","153","2","153","2","","","","","","","","3","P 1 21 1","P 2yb","4","","p-P4A","","- C27 H20 O -","- C27 H20 O -","- C108 H80 O4 -","4","2","","Xu, Bingjia; Li, Wenlang; He, Jiajun; Wu, Sikai; Zhu, Qiangzhong; Yang, Zhiyong; Wu, Yuan-Chun; Zhang, Yi; Jin, Chongjun; Lu, Po-Yen; Chi, Zhenguo; Liu, Siwei; Xu, Jiarui; Bryce, Martin R.","Achieving very bright mechanoluminescence from purely organic luminophores with aggregation-induced emission by crystal design","Chem. Sci.","2016","7","8","5307","","10.1039/C6SC01325B","","","1.54178","CuKα","","0.1964","0.1163","","","0.2996","0.3571","","","","","","1.082","","","","has coordinates","214153","2020-10-21","18:00:00",""
"1543192","20.259","","10.585","","9.94","","90","","90","","90","","2131.55","","153","2","153","2","","","","","","","","3","P n a 21","P 2c -2n","33","","p-P4A2","","- C28 H20 O2 -","- C28 H20 O2 -","- C112 H80 O8 -","4","1","","Xu, Bingjia; Li, Wenlang; He, Jiajun; Wu, Sikai; Zhu, Qiangzhong; Yang, Zhiyong; Wu, Yuan-Chun; Zhang, Yi; Jin, Chongjun; Lu, Po-Yen; Chi, Zhenguo; Liu, Siwei; Xu, Jiarui; Bryce, Martin R.","Achieving very bright mechanoluminescence from purely organic luminophores with aggregation-induced emission by crystal design","Chem. Sci.","2016","7","8","5307","","10.1039/C6SC01325B","","","1.54178","CuKα","","0.047","0.0445","","","0.1009","0.1035","","","","","","1.096","","","","has coordinates","185156","2020-10-21","18:00:00",""
"1543193","9.075","","11.785","","19.801","","81.99","","81.95","","89.78","","2076.1","","153","2","153","2","","","","","","","","3","P -1","-P 1","2","","p-P4Ac","","- C28 H22 O -","- C28 H22 O -","- C112 H88 O4 -","4","2","","Xu, Bingjia; Li, Wenlang; He, Jiajun; Wu, Sikai; Zhu, Qiangzhong; Yang, Zhiyong; Wu, Yuan-Chun; Zhang, Yi; Jin, Chongjun; Lu, Po-Yen; Chi, Zhenguo; Liu, Siwei; Xu, Jiarui; Bryce, Martin R.","Achieving very bright mechanoluminescence from purely organic luminophores with aggregation-induced emission by crystal design","Chem. Sci.","2016","7","8","5307","","10.1039/C6SC01325B","","","1.54178","CuKα","","0.0515","0.0457","","","0.1206","0.1268","","","","","","1.03","","","","has coordinates","185156","2020-10-21","18:00:00",""
"1543194","16.9152","0.0002","16.9152","0.0002","31.3646","0.0006","90","","90","","120","","7771.9","0.2","150","0.2","150","0.2","","","","","","","","5","P -6 2 c","P -6c -2c","190","","","","- C106 H210 Gd7 N8 O45 -","- C106 H209.999 Gd7 N8 O45 -","- C212 H419.999 Gd14 N16 O90 -","2","0.166667","","Pineda, Eufemio Moreno; Lorusso, Giulia; Zangana, Karzan H.; Palacios, Elias; Schnack, Jürgen; Evangelisti, Marco; Winpenny, Richard E. P.; McInnes, Eric J. L.","Observation of the influence of dipolar and spin frustration effects on the magnetocaloric properties of a trigonal prismatic {Gd7} molecular nanomagnet","Chem. Sci.","2016","7","8","4891","","10.1039/C6SC01415A","","x-ray","0.71073","MoKα","","0.0355","0.031","","","0.0637","0.0672","","","","","","1.096","","","","has coordinates,has disorder","185157","2020-10-21","18:00:00",""
"1543195","9.5443","0.0003","12.2675","0.0003","13.2983","0.0004","68.395","0.003","89.878","0.002","84.475","0.002","1439.98","0.08","110","2","110","2","","","","","","","","7","P -1","-P 1","2","","","","- C31 H30 Cl2 N6 O2 Ru S -","- C31 H30 Cl2 N6 O2 Ru S -","- C62 H60 Cl4 N12 O4 Ru2 S2 -","2","1","","van Rixel, V. H. S.; Siewert, B.; Hopkins, S. L.; Askes, S. H. C.; Busemann, A.; Siegler, M. A.; Bonnet, Sylvestre","Green light-induced apoptosis in cancer cells by a tetrapyridyl ruthenium prodrug offering two trans coordination sites","Chem. Sci.","2016","7","8","4922","","10.1039/C6SC00167J","","","1.54178","CuKα","","0.0301","0.0283","","","0.0743","0.076","","","","","","1.043","","","","has coordinates","185162","2020-10-21","18:00:00",""
"1543196","7.7686","0.0008","6.4525","0.0006","13.9164","0.0013","90","","91.238","0.001","90","","697.42","0.12","200","2","200","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C13 H13 Cl N4 O3 -","- C13 H13 Cl N4 O3 -","- C26 H26 Cl2 N8 O6 -","2","1","","McCallum, T.; Barriault, L.","Direct alkylation of heteroarenes with unactivated bromoalkanes using photoredox gold catalysis","Chem. Sci.","2016","","","","","10.1039/C6SC00807K","","","0.71073","MoKα","","0.0293","0.0278","","","0.0711","0.0727","","","","","","1.034","","","","has coordinates","182327","2020-10-21","18:00:00",""
"1543197","7.5752","0.0018","25.656","0.005","11.692","0.002","90","","100.74","0.013","90","","2232.5","0.8","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C21 H12 N3 O3 -","- C21 H12 N3 O3 -","- C84 H48 N12 O12 -","4","1","","Bhattacharjee, Subham; Maiti, Bappa; Bhattacharya, Santanu","First report of charge-transfer induced heat-set hydrogel. Structural insights and remarkable properties.","Nanoscale","2016","8","21","11224","11233","10.1039/c6nr01128d","","","0.71073","MoKα","","0.2061","0.1417","","","0.4057","0.4303","","","","","","1.359","","","","has coordinates","183718","2020-10-21","18:00:00",""
"1543198","8.1387","0.0007","10.1108","0.0009","16.5691","0.0015","96.538","0.005","97.798","0.005","107.518","0.005","1270.8","0.2","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C26 H14 N6 O6 -","- C26 H14 N6 O6 -","- C52 H28 N12 O12 -","2","1","","Bhattacharjee, Subham; Maiti, Bappa; Bhattacharya, Santanu","First report of charge-transfer induced heat-set hydrogel. Structural insights and remarkable properties.","Nanoscale","2016","8","21","11224","11233","10.1039/c6nr01128d","","","0.71073","MoKα","","0.0684","0.0547","","","0.1595","0.1675","","","","","","1.076","","","","has coordinates","183718","2020-10-21","18:00:00",""
"1543199","13.7021","0.0005","19.5675","0.0009","31.9547","0.0013","103.934","0.003","95.761","0.002","105.409","0.002","7891.9","0.6","223","2","223","1","","","","","","","","6","P -1","-P 1","2","","","","- C218 H328 N12 Nd8 Ni6 O94 -","- C218 H328 N12 Nd8 Ni6 O94 -","- C218 H328 N12 Nd8 Ni6 O94 -","1","0.5","","Yang, Xiaoping; Wang, Shiqing; Schipper, Desmond; Zhang, Lijie; Li, Zongping; Huang, Shaoming; Yuan, Daqiang; Chen, Zhongning; Gnanam, Annie J.; Hall, Justin W.; King, Tyler L.; Que, Emily; Dieye, Yakhya; Vadivelu, Jamuna; Brown, Katherine A.; Jones, Richard A.","Self-assembly of high-nuclearity lanthanide-based nanoclusters for potential bioimaging applications.","Nanoscale","2016","8","21","11123","11129","10.1039/c6nr00642f","","","0.710747","MoKα","","0.1188","0.0762","","","0.1682","0.1914","","","","","","1.113","","","","has coordinates","183719","2020-10-21","18:00:00",""
"1543200","54.07","0.011","60.708","0.012","90.132","0.018","90","","90","","90","","295857","10","223","1","223","1","","","","","","","","7","F d d d :2","-F 2uv 2vw","70","","","","- C376 H490 Cd24 Cl4 N24 O136 Yb8 -","- C376 H490 Cd24 Cl4 N24 O136 Yb8 -","- C6016 H7840 Cd384 Cl64 N384 O2176 Yb128 -","16","0.5","","Yang, Xiaoping; Wang, Shiqing; Schipper, Desmond; Zhang, Lijie; Li, Zongping; Huang, Shaoming; Yuan, Daqiang; Chen, Zhongning; Gnanam, Annie J.; Hall, Justin W.; King, Tyler L.; Que, Emily; Dieye, Yakhya; Vadivelu, Jamuna; Brown, Katherine A.; Jones, Richard A.","Self-assembly of high-nuclearity lanthanide-based nanoclusters for potential bioimaging applications.","Nanoscale","2016","8","21","11123","11129","10.1039/c6nr00642f","","","0.710747","MoKα","","0.2013","0.0955","","","0.2258","0.242","","","","","","1.065","","","","has coordinates","183719","2020-10-21","18:00:00",""
"1543201","54.405","0.011","61.195","0.012","91.022","0.018","90","","90","","90","","303041","10","223","2","223","1","","","","","","","","7","F d d d :2","-F 2uv 2vw","70","","","","- C376 H490 Cd24 Cl4 N24 Nd8 O136 -","- C376 H490 Cd24 Cl4 N24 Nd8 O136 -","- C6016 H7840 Cd384 Cl64 N384 Nd128 O2176 -","16","0.5","","Yang, Xiaoping; Wang, Shiqing; Schipper, Desmond; Zhang, Lijie; Li, Zongping; Huang, Shaoming; Yuan, Daqiang; Chen, Zhongning; Gnanam, Annie J.; Hall, Justin W.; King, Tyler L.; Que, Emily; Dieye, Yakhya; Vadivelu, Jamuna; Brown, Katherine A.; Jones, Richard A.","Self-assembly of high-nuclearity lanthanide-based nanoclusters for potential bioimaging applications.","Nanoscale","2016","8","21","11123","11129","10.1039/c6nr00642f","","","0.710747","MoKα","","0.1798","0.1034","","","0.2692","0.3134","","","","","","0.935","","","","has coordinates","183719","2020-10-21","18:00:00",""
"1543202","13.643","0.003","19.294","0.004","31.918","0.006","103.53","0.03","95.86","0.03","106.04","0.03","7725","3","223","2","223","1","","","","","","","","6","P -1","-P 1","2","","","","- C224 H342 N12 Ni6 O98 Yb8 -","- C224 H342 N12 Ni6 O98 Yb8 -","- C224 H342 N12 Ni6 O98 Yb8 -","1","0.5","","Yang, Xiaoping; Wang, Shiqing; Schipper, Desmond; Zhang, Lijie; Li, Zongping; Huang, Shaoming; Yuan, Daqiang; Chen, Zhongning; Gnanam, Annie J.; Hall, Justin W.; King, Tyler L.; Que, Emily; Dieye, Yakhya; Vadivelu, Jamuna; Brown, Katherine A.; Jones, Richard A.","Self-assembly of high-nuclearity lanthanide-based nanoclusters for potential bioimaging applications.","Nanoscale","2016","8","21","11123","11129","10.1039/c6nr00642f","","","0.710747","MoKα","","0.1439","0.0876","","","0.2092","0.2499","","","","","","1.036","","","","has coordinates","183719","2020-10-21","18:00:00",""
"1543203","56.782","0.011","62.983","0.013","44.704","0.009","90","","90","","90","","159875","6","223","1","223","1","","","","","","","","6","C 2 2 2","C 2 2","21","","","","- C384 H504 Cd24 N24 O144 Sm8 -","- C384 H504 Cd24 N24 O144 Sm8 -","- C3072 H4032 Cd192 N192 O1152 Sm64 -","8","1","","Yang, Xiaoping; Wang, Shiqing; Schipper, Desmond; Zhang, Lijie; Li, Zongping; Huang, Shaoming; Yuan, Daqiang; Chen, Zhongning; Gnanam, Annie J.; Hall, Justin W.; King, Tyler L.; Que, Emily; Dieye, Yakhya; Vadivelu, Jamuna; Brown, Katherine A.; Jones, Richard A.","Self-assembly of high-nuclearity lanthanide-based nanoclusters for potential bioimaging applications.","Nanoscale","2016","8","21","11123","11129","10.1039/c6nr00642f","","","0.710747","MoKα","","0.2276","0.1089","","","0.2519","0.3063","","","","","","0.863","","","","has coordinates","215051","2020-10-21","18:00:00",""
"1543204","11.2593","0.0002","32.8268","0.0006","16.8592","0.0003","90","","97.612","0.002","90","","6176.36","0.19","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C42 H48 Cl12 Eu2 O33 -","- C42 H48 Cl12 Eu2 O33 -","- C168 H192 Cl48 Eu8 O132 -","4","1","","Chu, Tianshu; Hu, Yunsong; Wu, Jinlun; Zeng, Chenghui; Yang, Yangyi; Ng, Seik Weng","A new luminescent lanthanide supramolecular network possessing free Lewis base sites for highly selective and sensitive Cu(2+) sensing.","Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology","2016","15","6","744","751","10.1039/c6pp00059b","","","0.71073","MoKα","","0.0464","0.0401","","","0.0939","0.0978","","","","","","0.694","","","","has coordinates","183789","2020-10-21","18:00:00",""
"1543205","11.2461","0.0002","32.8782","0.0005","16.8424","0.0003","90","","97.574","0.002","90","","6173.17","0.18","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C42 H48 Cl12 Gd2 O33 -","- C42 H48 Cl12 Gd2 O33 -","- C168 H192 Cl48 Gd8 O132 -","4","1","","Chu, Tianshu; Hu, Yunsong; Wu, Jinlun; Zeng, Chenghui; Yang, Yangyi; Ng, Seik Weng","A new luminescent lanthanide supramolecular network possessing free Lewis base sites for highly selective and sensitive Cu(2+) sensing.","Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology","2016","15","6","744","751","10.1039/c6pp00059b","","","0.71073","MoKα","","0.0425","0.0366","","","0.0865","0.0905","","","","","","0.633","","","","has coordinates","183789","2020-10-21","18:00:00",""
"1543206","11.1659","0.0003","32.7362","0.0007","16.765","0.0005","90","","97.458","0.003","90","","6076.3","0.3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C42 H48 Cl12 O33 Tb2 -","- C42 H48 Cl12 O33 Tb2 -","- C168 H192 Cl48 O132 Tb8 -","4","1","","Chu, Tianshu; Hu, Yunsong; Wu, Jinlun; Zeng, Chenghui; Yang, Yangyi; Ng, Seik Weng","A new luminescent lanthanide supramolecular network possessing free Lewis base sites for highly selective and sensitive Cu(2+) sensing.","Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology","2016","15","6","744","751","10.1039/c6pp00059b","","","0.71073","MoKα","","0.0889","0.0719","","","0.1612","0.1716","","","","","","1.116","","","","has coordinates","183789","2020-10-21","18:00:00",""
"1543207","15.4997","0.0003","7.5991","0.0002","16.524","0.0005","90","","110.066","0.002","90","","1828.12","0.08","296","2","296","2","","","","","","","","5","P 1 2/n 1","-P 2yac","13","","","","- C13 H32 N3 O4 S -","- C13 H32 N3 O4 S -","- C52 H128 N12 O16 S4 -","4","1","","Liu, Linlin; Gao, Hongcheng; Li, Yupeng; Hanif, Muddasir; Li, Chuan; Gao, Yu; Yang, Bing; Xie, Zengqi; Ma, Yuguang","Six-membered-ring photocyclization in phenyl-substituted p-phenylenevinylene derivatives: a potential factor of instability in conjugated polymers","Polym. Chem.","2016","7","21","3496","","10.1039/C6PY00180G","","","0.71073","MoKα","","0.1031","0.0512","","","0.1327","0.1568","","","","","","1.026","","","","has coordinates","183797","2020-10-21","18:00:00",""
"1543208","14.249","0.005","11.262","0.005","17.886","0.006","90","","104.314","0.011","90","","2781.1","1.8","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C39 H27 N -","- C39 H27 N -","- C156 H108 N4 -","4","1","","Liu, Linlin; Gao, Hongcheng; Li, Yupeng; Hanif, Muddasir; Li, Chuan; Gao, Yu; Yang, Bing; Xie, Zengqi; Ma, Yuguang","Six-membered-ring photocyclization in phenyl-substituted p-phenylenevinylene derivatives: a potential factor of instability in conjugated polymers","Polym. Chem.","2016","7","21","3496","","10.1039/C6PY00180G","","","0.71075","MoKα","","0.217","0.0685","","","0.1133","0.1546","","","","","","0.944","","","","has coordinates","183797","2020-10-21","18:00:00",""
"1543209","8.5288","0.0011","8.7463","0.0011","9.9866","0.0014","105.144","0.007","93.192","0.007","117.597","0.008","623.53","0.16","100","","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C26 H30 N4 S4 -","- C26 H30 N4 S4 -","- C26 H30 N4 S4 -","1","0.5","","Conboy, Gary; Spencer, Howard J.; Angioni, Enrico; Kanibolotsky, Alexander L.; Findlay, Neil J.; Coles, Simon J.; Wilson, Claire; Pitak, Mateusz B.; Risko, Chad; Coropceanu, Veaceslav; Brédas, Jean-Luc; Skabara, Peter J.","To bend or not to bend ‒ are heteroatom interactions within conjugated molecules effective in dictating conformation and planarity?","Mater. Horiz.","2016","3","4","333","","10.1039/C6MH00051G","","","0.71075","MoKα","","0.0633","0.0453","","","0.1047","0.113","","","","","","1.05","","","","has coordinates","185679","2020-10-21","18:00:00",""
"1543210","14.575","0.019","7.664","0.009","14.393","0.019","90","","111.28","0.014","90","","1498","3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C36 H36 N2 O2 S2 -","- C36 H36 N2 O2 S2 -","- C72 H72 N4 O4 S4 -","2","0.5","","Conboy, Gary; Spencer, Howard J.; Angioni, Enrico; Kanibolotsky, Alexander L.; Findlay, Neil J.; Coles, Simon J.; Wilson, Claire; Pitak, Mateusz B.; Risko, Chad; Coropceanu, Veaceslav; Brédas, Jean-Luc; Skabara, Peter J.","To bend or not to bend ‒ are heteroatom interactions within conjugated molecules effective in dictating conformation and planarity?","Mater. Horiz.","2016","3","4","333","","10.1039/C6MH00051G","","","0.6889","","","0.1514","0.1081","","","0.2753","0.3062","","","","","","1.097","","","","has coordinates","185679","2020-10-21","18:00:00",""
"1543211","15.2375","0.001","7.3024","0.0006","28.201","0.003","90","","99.461","0.007","90","","3095.3","0.5","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C36 H36 N2 S4 -","- C36 H36 N2 S4 -","- C144 H144 N8 S16 -","4","0.5","","Conboy, Gary; Spencer, Howard J.; Angioni, Enrico; Kanibolotsky, Alexander L.; Findlay, Neil J.; Coles, Simon J.; Wilson, Claire; Pitak, Mateusz B.; Risko, Chad; Coropceanu, Veaceslav; Brédas, Jean-Luc; Skabara, Peter J.","To bend or not to bend ‒ are heteroatom interactions within conjugated molecules effective in dictating conformation and planarity?","Mater. Horiz.","2016","3","4","333","","10.1039/C6MH00051G","","x-ray","0.6889","Synchrotron","","0.0993","0.0878","","","0.2478","0.2551","","","","","","1.142","","","","has coordinates,has disorder","185679","2020-10-21","18:00:00",""
"1543212","14.526","0.002","5.1215","0.0007","20.577","0.003","90","","109.041","0.008","90","","1447.1","0.4","100","","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C34 H34 N4 O2 S2 -","- C34 H34 N4 O2 S2 -","- C68 H68 N8 O4 S4 -","2","0.5","","Conboy, Gary; Spencer, Howard J.; Angioni, Enrico; Kanibolotsky, Alexander L.; Findlay, Neil J.; Coles, Simon J.; Wilson, Claire; Pitak, Mateusz B.; Risko, Chad; Coropceanu, Veaceslav; Brédas, Jean-Luc; Skabara, Peter J.","To bend or not to bend ‒ are heteroatom interactions within conjugated molecules effective in dictating conformation and planarity?","Mater. Horiz.","2016","3","4","333","","10.1039/C6MH00051G","","","0.71075","MoKα","","0.3045","0.145","","","0.3462","0.4364","","","","","","1.137","","","","has coordinates","185679","2020-10-21","18:00:00",""
"1543213","14.834","0.0005","16.4316","0.0007","29.3685","0.0012","82.872","0.003","88.588","0.003","79.909","0.003","6993.2","0.5","100","","100","","","","101","","","","synthesised","6","P -1","-P 1","2","Halogen bonding molecular shuttle","Halogen bonding two-station [2]rotaxane","","- C283 H301 Cl5 I2 N16 O34 -","- C283 H301 Cl5 I2 N16 O34 -","- C283 H301 Cl5 I2 N16 O34 -","1","0.5","","Barendt, Timothy A.; Robinson, Sean W.; Beer, Paul D.","Superior anion induced shuttling behaviour exhibited by a halogen bonding two station rotaxane","Chem. Sci.","2016","7","8","5171","","10.1039/C6SC00783J","","","0.6889","synchrotron","","0.1988","0.1389","","0.3827","0.323","0.3827","","","","","","0.971","","","","has coordinates,has disorder","185161","2020-10-21","18:00:00",""
"1543214","6.1861","0.0002","14.2021","0.0005","22.962","0.0011","90","","94.024","0.002","90","","2012.37","0.14","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C25 H21 N O4 -","- C25 H21 N O4 -","- C100 H84 N4 O16 -","4","1","","El Bouakher, Abderrahman; Le Goff, Ronan; Tasserie, Jordan; Lhoste, Jérôme; Martel, Arnaud; Comesse, Sébastien","Synthesis of Oxazolidin-4-ones: Domino O-Alkylation/Aza-Michael/Intramolecular Retro-Claisen Condensation.","Organic letters","2016","18","10","2383","2386","10.1021/acs.orglett.6b00851","","","0.71073","MoKα","","0.1038","0.0486","","","0.1186","0.1454","","","","","","1.029","","","","has coordinates","184956","2020-10-21","18:00:00",""
"1543215","7.8917","0.0006","22.2343","0.0015","9.4685","0.0006","90","","91.94","0.002","90","","1660.5","0.2","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H21 N O5 -","- C17 H21 N O5 -","- C68 H84 N4 O20 -","4","1","","El Bouakher, Abderrahman; Le Goff, Ronan; Tasserie, Jordan; Lhoste, Jérôme; Martel, Arnaud; Comesse, Sébastien","Synthesis of Oxazolidin-4-ones: Domino O-Alkylation/Aza-Michael/Intramolecular Retro-Claisen Condensation.","Organic letters","2016","18","10","2383","2386","10.1021/acs.orglett.6b00851","","","0.71073","MoKα","","0.0942","0.0471","","","0.1069","0.1274","","","","","","1.016","","","","has coordinates","184956","2020-10-21","18:00:00",""
"1543216","22.7748","0.0019","6.0842","0.0005","16.1449","0.0016","90","","90","","90","","2237.1","0.3","296","2","296","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C24 H27 N O7 -","- C24 H27 N O7 -","- C96 H108 N4 O28 -","4","1","","El Bouakher, Abderrahman; Le Goff, Ronan; Tasserie, Jordan; Lhoste, Jérôme; Martel, Arnaud; Comesse, Sébastien","Synthesis of Oxazolidin-4-ones: Domino O-Alkylation/Aza-Michael/Intramolecular Retro-Claisen Condensation.","Organic letters","2016","18","10","2383","2386","10.1021/acs.orglett.6b00851","","","0.71073","MoKα","","0.1212","0.0521","","","0.1105","0.1506","","","","","","0.98","","","","has coordinates","184956","2020-10-21","18:00:00",""
"1543217","7.795","0.0005","21.513","0.0013","11.4883","0.0007","90","","95.42","0.002","90","","1917.9","0.2","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H21 N O5 S -","- C20 H21 N O5 S -","- C80 H84 N4 O20 S4 -","4","1","","El Bouakher, Abderrahman; Le Goff, Ronan; Tasserie, Jordan; Lhoste, Jérôme; Martel, Arnaud; Comesse, Sébastien","Synthesis of Oxazolidin-4-ones: Domino O-Alkylation/Aza-Michael/Intramolecular Retro-Claisen Condensation.","Organic letters","2016","18","10","2383","2386","10.1021/acs.orglett.6b00851","","","0.71073","MoKα","","0.1213","0.0833","","","0.2412","0.2805","","","","","","1.1","","","","has coordinates","184956","2020-10-21","18:00:00",""
"1543218","7.8503","0.0014","11.0271","0.0019","17.767","0.003","75.302","0.007","81.673","0.008","89.125","0.008","1471.6","0.4","296","2","296","2","","","","","","","","4","P 1","P 1","1","","","","- C22 H23 N O5 -","- C22 H23 N O5 -","- C66 H69 N3 O15 -","3","3","","El Bouakher, Abderrahman; Le Goff, Ronan; Tasserie, Jordan; Lhoste, Jérôme; Martel, Arnaud; Comesse, Sébastien","Synthesis of Oxazolidin-4-ones: Domino O-Alkylation/Aza-Michael/Intramolecular Retro-Claisen Condensation.","Organic letters","2016","18","10","2383","2386","10.1021/acs.orglett.6b00851","","","0.71073","MoKα","","0.1733","0.0574","","","0.1226","0.1674","","","","","","0.928","","","","has coordinates","184956","2020-10-21","18:00:00",""
"1543219","11.9275","0.0008","15.7557","0.001","18.3669","0.0012","90","","97.6486","0.0017","90","","3420.9","0.4","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","[1,3-bis(2,4,6-trimethylphenyl)-2-imidazolidinylidene]dichloro [3-(6-methoxy-3-(isopropylsulfonyl)quinoxalin-2-yl) propylidene]ruthenium(II)","","- C36 H44 Cl2 N4 O2 Ru -","- C36 H44 Cl2 N4 O2 Ru -","- C144 H176 Cl8 N16 O8 Ru4 -","4","1","","Williams, Michael J.; Kong, Jongrock; Chung, Cheol K.; Brunskill, Andrew; Campeau, Louis-Charles; McLaughlin, Mark","The Discovery of Quinoxaline-Based Metathesis Catalysts from Synthesis of Grazoprevir (MK-5172).","Organic letters","2016","18","9","1952","1955","10.1021/acs.orglett.6b00070","","","1.54178","CuKα","","0.0216","0.0211","","","0.0534","0.0536","","","","","","1.057","","","","has coordinates","185001","2020-10-21","18:00:00",""
"1543220","9.991","0.003","14.1075","0.0015","15.656","0.004","90","","102","0.02","90","","2158.5","0.9","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","4-bromo-4'-nitro-biphenyl","","","- C12 H8 Br N O2 -","- C12 H8 Br N O2 -","- C96 H64 Br8 N8 O16 -","8","4","","Burgener, Matthias; Aboulfadl, Hanane; Labat, Gaël Charles; Bonin, Michel; Sommer, Martin; Sankolli, Ravish; Wübbenhorst, Michael; Hulliger, Jürg","Peculiar orientational disorder in 4-bromo-4'-nitrobiphenyl (BNBP) and 4-bromo-4'-cyanobiphenyl (BCNBP) leading to bipolar crystals","IUCrJ","2016","3","3","219","225","10.1107/S2052252516006709","","","0.71073","MoKα","","0.3055","0.0853","","","0.1336","0.1815","","","","","","0.999","","","","has coordinates","182421","2020-10-21","18:00:00",""
"1543221","9.971","0.003","14.1307","0.0015","15.65","0.004","90","","101.71","0.02","90","","2159.1","0.9","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","4-bromo-4'-nitro-biphenyl","","","- C12 H8 Br N O2 -","- C12 H8 Br N O2 -","- C96 H64 Br8 N8 O16 -","8","4","","Burgener, Matthias; Aboulfadl, Hanane; Labat, Gaël Charles; Bonin, Michel; Sommer, Martin; Sankolli, Ravish; Wübbenhorst, Michael; Hulliger, Jürg","Peculiar orientational disorder in 4-bromo-4'-nitrobiphenyl (BNBP) and 4-bromo-4'-cyanobiphenyl (BCNBP) leading to bipolar crystals","IUCrJ","2016","3","3","219","225","10.1107/S2052252516006709","","","0.71073","MoKα","","0.3217","0.0918","","","0.1083","0.1552","","","","","","0.967","","","","has coordinates","182421","2020-10-21","18:00:00",""
"1543222","9.6028","0.0009","14.6523","0.0009","15.5726","0.0016","90","","97.34","0.008","90","","2173.2","0.3","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","4-bromo-4'-cyano-biphenyl","","","- C13 H8 Br N -","- C13 H8 Br N -","- C104 H64 Br8 N8 -","8","4","","Burgener, Matthias; Aboulfadl, Hanane; Labat, Gaël Charles; Bonin, Michel; Sommer, Martin; Sankolli, Ravish; Wübbenhorst, Michael; Hulliger, Jürg","Peculiar orientational disorder in 4-bromo-4'-nitrobiphenyl (BNBP) and 4-bromo-4'-cyanobiphenyl (BCNBP) leading to bipolar crystals","IUCrJ","2016","3","3","219","225","10.1107/S2052252516006709","","","0.71073","MoKα","","0.208","0.067","","","0.1314","0.184","","","","","","0.966","","","","has coordinates","182421","2020-10-21","18:00:00",""
"1543223","9.5964","0.0009","14.6438","0.0008","15.5585","0.0015","90","","97.429","0.008","90","","2168","0.3","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","4-bromo-4'-cyano-biphenyl","","","- C13 H8 Br N -","- C13 H8 Br N -","- C104 H64 Br8 N8 -","8","4","","Burgener, Matthias; Aboulfadl, Hanane; Labat, Gaël Charles; Bonin, Michel; Sommer, Martin; Sankolli, Ravish; Wübbenhorst, Michael; Hulliger, Jürg","Peculiar orientational disorder in 4-bromo-4'-nitrobiphenyl (BNBP) and 4-bromo-4'-cyanobiphenyl (BCNBP) leading to bipolar crystals","IUCrJ","2016","3","3","219","225","10.1107/S2052252516006709","","","0.71073","MoKα","","0.2336","0.0708","","","0.127","0.1844","","","","","","0.978","","","","has coordinates","182421","2020-10-21","18:00:00",""
"1543224","8.2745","0.0008","6.0367","0.0006","14.8609","0.0014","90","","104.746","0.005","90","","717.86","0.12","120","2","120.06","","","","","","","","","5","P 1 21 1","P 2yb","4","","4-Chloro-1<i>H</i>-indole-2,3-dione","","- C8 H4 Cl N O2 -","- C8 H4 Cl N O2 -","- C32 H16 Cl4 N4 O8 -","4","2","SJ4026","Juma, Rashid M.; Golen, James A.; Manke, David R.","4-Chloro-1<i>H</i>-indole-2,3-dione","IUCrData","2016","1","4","x160689","","10.1107/S2414314616006891","","","1.54178","CuKα","","0.0423","0.0379","","","0.0923","0.0959","","","","","","1.037","","","","has coordinates,has Fobs","182423","2020-10-21","18:00:00",""
"1543225","5.8932","0.0009","7.1714","0.0009","27.347","0.004","90","","90","","90","","1155.8","0.3","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","(4<i>S</i>,5<i>S</i>,6<i>R</i>,<i>E</i>)-3,5-Dimethyl-6-vinylhept-2-ene-1,4,7-triol","","- C11 H20 O3 -","- C11 H20 O3 -","- C44 H80 O12 -","4","1","","von Kiedrowski, Valeska; Quentin, Florian; Golz, Christopher; Strohmann, Carsten; Preut, Hans; Hiersemann, Martin","(4<i>S</i>,5<i>S</i>,6<i>R</i>,<i>E</i>)-3,5-Dimethyl-6-vinylhept-2-ene-1,4,7-triol","IUCrData","2016","1","4","x160697","","10.1107/S2414314616006970","","","1.54178","CuKα","","0.0309","0.0305","","","0.0792","0.0796","","","","","","1.095","","","","has coordinates,has Fobs","182424","2020-10-21","18:00:00",""
"1543226","7.5429","0.0004","21.4003","0.0016","9.7773","0.0006","90","","112.325","0.003","90","","1459.96","0.16","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Chlorido{(<i>E</i>)-1-[(2-methoxyphenyl)diazenyl]naphthalen-2-olato}palladium(II)","","- C17 H13 Cl N2 O2 Pd -","- C17 H13 Cl N2 O2 Pd -","- C68 H52 Cl4 N8 O8 Pd4 -","4","1","SU4039","Mili, Assia; Chetioui, Souheyla; Rouag, Djamil-Azzeddine; Djukic, Jean-Pierre; Bailly, Corinne","Chlorido{(<i>E</i>)-1-[(2-methoxyphenyl)diazenyl]naphthalen-2-olato}palladium(II)","IUCrData","2016","1","4","x160691","","10.1107/S241431461600691X","","","0.71073","MoKα","","0.1117","0.0535","","","0.1053","0.1271","","","","","","1.026","","","","has coordinates,has Fobs","182425","2020-10-21","18:00:00",""
"1543227","8.8711","0.0007","8.6175","0.0006","23.698","0.002","90","","99.672","0.004","90","","1785.9","0.2","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","5,6-Dipropylphthalazino[2,3-<i>a</i>]cinnoline-8,13-dione","","- C22 H22 N2 O2 -","- C22 H22 N2 O2 -","- C88 H88 N8 O8 -","4","1","SU4026","Vimala, G.; Krishnan, S. Maya; Perumal, P. T.; SubbiahPandi, A.","5,6-Dipropylphthalazino[2,3-<i>a</i>]cinnoline-8,13-dione","IUCrData","2016","1","4","x160688","","10.1107/S241431461600688X","","","0.71073","MoKα","","0.0558","0.0433","","","0.1317","0.1479","","","","","","1.083","","","","has coordinates,has Fobs","182426","2020-10-21","18:00:00",""
"1543228","17.17","0.06","4.267","0.013","20.22","0.06","90","","108.45","0.04","90","","1405","8","273","","273","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1,3,6-Tribromo-9-ethyl-9<i>H</i>-carbazole","","- C14 H10 Br3 N -","- C14 H10 Br3 N -","- C56 H40 Br12 N4 -","4","1","","Bezuglyi, Mkola; Bagdziunas, Gintautas; Grazulevicius, Juozas Vidas","1,3,6-Tribromo-9-ethyl-9<i>H</i>-carbazole","IUCrData","2016","1","4","x160708","","10.1107/S2414314616007082","","","0.71075","MoKα","","","0.0843","","","","0.2493","","","","","","1.087","","","","has coordinates,has Fobs","182427","2020-10-21","18:00:00",""
"1543229","6.4152","0.0012","7.5089","0.0012","8.9546","0.0015","110.162","0.007","96.12","0.008","91.997","0.008","401.43","0.12","200","2","200.15","","","","","","","","","5","P -1","-P 1","2","","6-Iodo-1<i>H</i>-indole-2,3-dione","","- C8 H4 I N O2 -","- C8 H4 I N O2 -","- C16 H8 I2 N2 O4 -","2","1","","Golen, James A.; Manke, David R.","6-Iodo-1<i>H</i>-indole-2,3-dione","IUCrData","2016","1","4","x160700","","10.1107/S2414314616007008","","","0.71073","MoKα","","0.0228","0.02","","","0.0428","0.0437","","","","","","1.129","","","","has coordinates,has Fobs","182428","2020-10-21","18:00:00",""
"1543230","5.7058","0.0001","10.6201","0.0002","18.8688","0.0004","90","","90","","90","","1143.38","0.04","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","(<i>Z</i>)-2-(5-Fluoro-2-oxoindolin-3-ylidene)-<i>N</i>-methylhydrazinecarbothioamide","","- C10 H9 F N4 O S -","- C10 H9 F N4 O S -","- C40 H36 F4 N16 O4 S4 -","4","1","IS4006","Ali, Amna Qasem; Eltayeb, Naser Eltaher; Teoh, Siang Guan","(<i>Z</i>)-2-(5-Fluoro-2-oxoindolin-3-ylidene)-<i>N</i>-methylhydrazinecarbothioamide","IUCrData","2016","1","4","x160659","","10.1107/S2414314616006593","","","0.71073","MoKα","","0.0292","0.0266","","","0.0675","0.0692","","","","","","1.047","","","","has coordinates,has Fobs","182429","2020-10-21","18:00:00",""
"1543231","10.8316","0.0014","8.7542","0.0011","17.959","0.002","90","","106.322","0.005","90","","1634.3","0.3","296","2","296","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","1,6-Diacetyl-2-isopropyl-4,7-dimethylnaphthalene","1-[6-Acetyl-4,7-dimethyl-2-(propan-2-yl)naphthalen-1-yl]ethanone","","- C19 H22 O2 -","- C19 H22 O2 -","- C76 H88 O8 -","4","1","BT4006","Benharref, Ahmed; Oukhrib, Abdelouhed; Ait Elhad, Mustapha; El Ammari, Lahcen; Saadi, Mohamed; Berraho, Moha","1,6-Diacetyl-2-isopropyl-4,7-dimethylnaphthalene","IUCrData","2016","1","4","x160703","","10.1107/S2414314616007033","","","0.71073","MoKα","","0.0593","0.0471","","","0.1262","0.1394","","","","","","1.032","","","","has coordinates,has Fobs","182430","2020-10-21","18:00:00",""
"1543232","10.3848","0.0003","10.4306","0.0003","14.4513","0.0004","69.394","0.001","72.388","0.001","70.871","0.001","1352.92","0.07","293","2","293","2","","","","","","","","5","P -1","-P 1","2","2-(4-Chlorophenyl)-15-hydroxy-4-methyl-4,18-diazaoctacyclo[14.11.1.1^6,10^.0^1,5^.0^5,15^.0^17,26^.0^19,24^.0^14,29^]nonacosa-6,8,10(29),11,13,17,19(24),20,22,25-decaen-27-one methanol hemisolvate","15-(4-Chlorophenyl)-6b-hydroxy-17-methyl-6b,7,16,17-tetrahydro- 7,14a-methanonaphtho[1',8':1,2,3]pyrrolo[3',2':8,8a]azuleno[5,6-<i>b</i>]quinolin-14(15<i>H</i>)-one methanol hemisolvate","","- C34.5 H26.5 Cl N2 O2.5 -","- C34.5 H26.5 Cl N2 O2.5 -","- C69 H53 Cl2 N4 O5 -","2","1","SU4031","Joseph, J. M.; Viswanathan, Vijayan; Velmurugan, Devadasan","15-(4-Chlorophenyl)-6b-hydroxy-17-methyl-6b,7,16,17-tetrahydro-7,14a-methanonaphtho[1',8':1,2,3]pyrrolo[3',2':8,8a]azuleno[5,6-<i>b</i>]quinolin-14(15<i>H</i>)-one methanol hemisolvate","IUCrData","2016","1","4","x160637","","10.1107/S2414314616006374","","","0.71073","MoKα","","0.0632","0.0519","","","0.1644","0.1781","","","","","","1.054","","","","has coordinates,has disorder,has Fobs","182431","2020-10-21","18:00:00",""
"1543233","5.6231","0.0006","4.993","0.0006","12.5145","0.0014","90","","91.916","0.007","90","","351.16","0.07","120","2","120.15","","","","","","","","","5","P 1 21 1","P 2yb","4","","6-Chloro-1<i>H</i>-indole-2,3-dione","","- C8 H4 Cl N O2 -","- C8 H4 Cl N O2 -","- C16 H8 Cl2 N2 O4 -","2","1","SU4040","Golen, James A.; Manke, David R.","6-Chloro-1<i>H</i>-indole-2,3-dione","IUCrData","2016","1","4","x160690","","10.1107/S2414314616006908","","","1.54178","CuKα","","0.0342","0.0305","","","0.0681","0.0701","","","","","","1.124","","","","has coordinates,has Fobs","182432","2020-10-21","18:00:00",""
"1543234","15.0422","0.0012","5.6323","0.0005","17.1019","0.0015","90","","102.48","0.002","90","","1414.7","0.2","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","3-(4-Chlorophenyl)-5-[4-(methylsulfanyl)phenyl]-1<i>H</i>-pyrazole","","- C16 H13 Cl N2 S -","- C16 H13 Cl N2 S -","- C64 H52 Cl4 N8 S4 -","4","1","","Suresh, Ganesan; Muniraj, Sarangapani","3-(4-Chlorophenyl)-5-[4-(methylsulfanyl)phenyl]-1<i>H</i>-pyrazole","IUCrData","2016","1","4","x160679","","10.1107/S2414314616006799","","","0.71073","MoKα","","0.0834","0.0577","","","0.1152","0.13","","","","","","1.124","","","","has coordinates,has Fobs","182433","2020-10-21","18:00:00",""
"1543235","14.2222","0.0006","12.0292","0.0004","19.1416","0.0008","90","","90","","90","","3274.8","0.2","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C22 H19 N O -","- C22 H19 N O -","- C176 H152 N8 O8 -","8","1","","Gu, Zheng-Yang; Liu, Cheng-Guo; Wang, Shun-Yi; Ji, Shun-Jun","Pd-Catalyzed Intramolecular Heck Reaction, C(sp(2))-H Activation, 1,4-Pd Migration, and Aminopalladation: Chemoselective Synthesis of Dihydroindeno[1,2,3-kl]acridines and 3-Arylindoles.","Organic letters","2016","18","10","2379","2382","10.1021/acs.orglett.6b00843","","","0.71073","MoKα","","0.0731","0.045","","","0.1029","0.1184","","","","","","1.019","","","","has coordinates","184957","2020-10-21","18:00:00",""
"1543236","8.9782","0.0005","18.2579","0.001","17.6665","0.001","90","","101.906","0.002","90","","2833.6","0.3","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H14 F N -","- C20 H14 F N -","- C160 H112 F8 N8 -","8","2","","Gu, Zheng-Yang; Liu, Cheng-Guo; Wang, Shun-Yi; Ji, Shun-Jun","Pd-Catalyzed Intramolecular Heck Reaction, C(sp(2))-H Activation, 1,4-Pd Migration, and Aminopalladation: Chemoselective Synthesis of Dihydroindeno[1,2,3-kl]acridines and 3-Arylindoles.","Organic letters","2016","18","10","2379","2382","10.1021/acs.orglett.6b00843","","","0.71073","MoKα","","0.0676","0.0556","","","0.1441","0.1534","","","","","","1.097","","","","has coordinates","184957","2020-10-21","18:00:00",""
"1543237","26.374","0.003","7.9979","0.0009","15.0584","0.0018","90","","99.855","0.002","90","","3129.5","0.6","113","","113","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C40 H26 F3 N O3 S -","- C40 H26 F3 N O3 S -","- C160 H104 F12 N4 O12 S4 -","4","0.5","","Ge, Qingmei; Hu, Yang; Li, Bin; Wang, Baiquan","Synthesis of Conjugated Polycyclic Quinoliniums by Rhodium(III)-Catalyzed Multiple C-H Activation and Annulation of Arylpyridiniums with Alkynes.","Organic letters","2016","18","10","2483","2486","10.1021/acs.orglett.6b01055","","","0.71073","MoKα","","0.0531","0.051","","","0.1303","0.1317","","","","","","1.046","","","","has coordinates,has disorder","184959","2020-10-21","18:00:00",""
"1543238","19.217","0.007","3.6996","0.0014","6.529","0.002","90","","109.056","0.004","90","","438.7","0.3","100","2","100","2","","","","","","","","3","C 1 2/m 1","-C 2y","12","","Lithium Tin Sulfide","","- Li5.05 S12 Sn4.74 -","- Li5.046 S12 Sn4.738 -","- Li5.046 S12 Sn4.738 -","1","0.125","","Holzmann, T.; Schoop, L. M.; Ali, M. N.; Moudrakovski, I.; Gregori, G.; Maier, J.; Cava, R. J.; Lotsch, B. V.","Li0.6[Li0.2Sn0.8S2] ‒ a layered lithium superionic conductor","Energy Environ. Sci.","2016","9","8","2578","","10.1039/C6EE00633G","","","0.71073","MoKα","","0.041","0.0241","","","","0.0664","","","","","","1.025","","","","has coordinates","185551","2020-10-21","18:00:00",""
"1543239","9.7156","0.0002","12.4425","0.0003","14.4092","0.0003","99.2448","0.0019","98.284","0.002","98.193","0.002","1676.66","0.07","295","2","295","2","","","","","","","","7","P -1","-P 1","2","","","","- C35 H31 F6 Ir N4 O3 P -","- C35 H31 F6 Ir N4 O3 P -","- C70 H62 F12 Ir2 N8 O6 P2 -","2","1","","Skórka, Łukasz; Filapek, Michał; Zur, Lidia; Małecki, Jan Grzegorz; Pisarski, Wojciech; Olejnik, Marian; Danikiewicz, Witold; Krompiec, Stanisław","Highly Phosphorescent Cyclometalated Iridium(III) Complexes for Optoelectronic Applications: Fine Tuning of the Emission Wavelength through Ancillary Ligands","The Journal of Physical Chemistry C","2016","120","13","7284","","10.1021/acs.jpcc.6b01663","","","0.71073","MoKα","","0.0449","0.036","","","0.08","0.0837","","","","","","1.021","","","","has coordinates","182484","2020-10-21","18:00:00",""
"1543240","9.5479","0.0005","30.4524","0.0013","12.3038","0.0005","90","","95.045","0.004","90","","3563.6","0.3","295","0.2","295","0.2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C36 H24 F10 Ir N4 O4 P -","- C36 H24 F10 Ir N4 O4 P -","- C144 H96 F40 Ir4 N16 O16 P4 -","4","1","","Skórka, Łukasz; Filapek, Michał; Zur, Lidia; Małecki, Jan Grzegorz; Pisarski, Wojciech; Olejnik, Marian; Danikiewicz, Witold; Krompiec, Stanisław","Highly Phosphorescent Cyclometalated Iridium(III) Complexes for Optoelectronic Applications: Fine Tuning of the Emission Wavelength through Ancillary Ligands","The Journal of Physical Chemistry C","2016","120","13","7284","","10.1021/acs.jpcc.6b01663","","","0.71073","MoKα","","0.0601","0.046","","","0.0991","0.1034","","","","","","1.11","","","","has coordinates","182485","2020-10-21","18:00:00",""
"1543241","9.9615","0.0005","24.4176","0.0008","14.2131","0.0006","90","","97.634","0.005","90","","3426.5","0.3","295","0.2","295","0.2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C32 H18 F12 Ir N4 P -","- C32 H18 F12 Ir N4 P -","- C128 H72 F48 Ir4 N16 P4 -","4","1","","Skórka, Łukasz; Filapek, Michał; Zur, Lidia; Małecki, Jan Grzegorz; Pisarski, Wojciech; Olejnik, Marian; Danikiewicz, Witold; Krompiec, Stanisław","Highly Phosphorescent Cyclometalated Iridium(III) Complexes for Optoelectronic Applications: Fine Tuning of the Emission Wavelength through Ancillary Ligands","The Journal of Physical Chemistry C","2016","120","13","7284","","10.1021/acs.jpcc.6b01663","","","0.71073","MoKα","","0.0907","0.0537","","","0.1103","0.1206","","","","","","0.996","","","","has coordinates","182486","2020-10-21","18:00:00",""
"1543242","12.246","0.0007","13.3943","0.0009","22.4079","0.0012","90","","105.858","0.006","90","","3535.6","0.4","295","0.2","295","0.2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C35 H24 Cl2 F6 Ir N6 P -","- C35 H24 Cl2 F6 Ir N6 P -","- C140 H96 Cl8 F24 Ir4 N24 P4 -","4","1","","Skórka, Łukasz; Filapek, Michał; Zur, Lidia; Małecki, Jan Grzegorz; Pisarski, Wojciech; Olejnik, Marian; Danikiewicz, Witold; Krompiec, Stanisław","Highly Phosphorescent Cyclometalated Iridium(III) Complexes for Optoelectronic Applications: Fine Tuning of the Emission Wavelength through Ancillary Ligands","The Journal of Physical Chemistry C","2016","120","13","7284","","10.1021/acs.jpcc.6b01663","","","0.71073","MoKα","","0.0561","0.0394","","","0.0951","0.1063","","","","","","1.073","","","","has coordinates","182487","2020-10-21","18:00:00",""
"1543243","9.3613","0.0015","9.3135","0.0014","11.8981","0.0019","90","","102.497","0.005","90","","1012.8","0.3","173","2","173","2","","","","","","","synthesis as described","4","P 1 21/c 1","-P 2ybc","14","","","","- C10 H13 N O2 -","- C10 H13 N O2 -","- C40 H52 N4 O8 -","4","1","","Baillargeon, Pierre; Caron-Duval, Édouard; Pellerin, Émilie; Gagné, Simon; Dory, Yves","Isomorphous Crystals from Diynes and Bromodiynes Involved in Hydrogen and Halogen Bonds","Crystals","2016","6","4","37","","10.3390/cryst6040037","","x-ray","1.54178","CuKα","","0.0541","0.0382","","","0.084","0.0915","","","","","","1.027","","","","has coordinates","182549","2020-10-21","18:00:00",""
"1543244","10.4435","0.0016","9.209","0.0015","12.2744","0.0019","90","","102.599","0.004","90","","1152.1","0.3","173","2","173","2","","","","","","","synthesis as described","5","P 1 21/c 1","-P 2ybc","14","","","","- C10 H12 Br N O2 -","- C10 H12 Br N O2 -","- C40 H48 Br4 N4 O8 -","4","1","","Baillargeon, Pierre; Caron-Duval, Édouard; Pellerin, Émilie; Gagné, Simon; Dory, Yves","Isomorphous Crystals from Diynes and Bromodiynes Involved in Hydrogen and Halogen Bonds","Crystals","2016","6","4","37","","10.3390/cryst6040037","","x-ray","1.54178","CuKα","","0.0659","0.0644","","","0.1662","0.1679","","","","","","1.133","","","","has coordinates","182549","2020-10-21","18:00:00",""
"1543245","16.6233","0.0011","7.5451","0.0003","12.2941","0.0008","90","","110.965","0.005","90","","1439.9","0.15","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H15 Cl2 N Si -","- C14 H15 Cl2 N Si -","- C56 H60 Cl8 N4 Si4 -","4","1","","Gerlach, Daniela; Brendler, Erica; Wagler, Jörg","Hexacoordinate Silicon Compounds with a Dianionic Tetradentate (N,N′,N′,N)-Chelating Ligand","Inorganics","2016","4","2","8","","10.3390/inorganics4020008","","","0.71073","MoKα","","0.0535","0.0348","","","0.0771","0.0841","","","","","","1.044","","","","has coordinates","182550","2020-10-21","18:00:00",""
"1543246","14.3173","0.0004","18.2897","0.0008","21.3671","0.0007","90","","101.839","0.002","90","","5476.1","0.3","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C32 H30 N4 O2.5 Si -","- C32 H30 N4 O2.5 Si -","- C256 H240 N32 O20 Si8 -","8","2","","Gerlach, Daniela; Brendler, Erica; Wagler, Jörg","Hexacoordinate Silicon Compounds with a Dianionic Tetradentate (N,N′,N′,N)-Chelating Ligand","Inorganics","2016","4","2","8","","10.3390/inorganics4020008","","","0.71073","MoKα","","0.0744","0.0441","","","0.1013","0.1129","","","","","","1.047","","","","has coordinates","214153","2020-10-21","18:00:00",""
"1543247","14.5651","0.0007","22.872","0.0008","10.4529","0.0005","90","","124.37","0.003","90","","2874.2","0.2","150","2","150","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C34 H35 N5 O Si -","- C34 H35 N5 O Si -","- C136 H140 N20 O4 Si4 -","4","1","","Gerlach, Daniela; Brendler, Erica; Wagler, Jörg","Hexacoordinate Silicon Compounds with a Dianionic Tetradentate (N,N′,N′,N)-Chelating Ligand","Inorganics","2016","4","2","8","","10.3390/inorganics4020008","","","0.71073","MoKα","","0.0381","0.0331","","","0.08","0.0831","","","","","","1.052","","","","has coordinates,has disorder","182552","2020-10-21","18:00:00",""
"1543248","9.7135","0.0003","14.9827","0.0004","18.4932","0.0004","82.491","0.001","83.162","0.001","88.353","0.001","2649.1","0.12","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C32 H30 N4 O Si -","- C32 H30 N4 O Si -","- C128 H120 N16 O4 Si4 -","4","2","","Gerlach, Daniela; Brendler, Erica; Wagler, Jörg","Hexacoordinate Silicon Compounds with a Dianionic Tetradentate (N,N′,N′,N)-Chelating Ligand","Inorganics","2016","4","2","8","","10.3390/inorganics4020008","","","0.71073","MoKα","","0.079","0.0463","","","0.114","0.1241","","","","","","1.06","","","","has coordinates,has disorder","182553","2020-10-21","18:00:00",""
"1543249","10.9099","0.0005","10.9099","0.0005","10.9099","0.0005","90","","90","","90","","1298.56","0.1","200","2","200","2","","","","","","","","3","P m -3 n","-P 4n 2 3","223","","","","- Cd3.7 Ge42.3 Rb8 -","- Cd3.666 Ge42.334 Rb8 -","- Cd3.666 Ge42.334 Rb8 -","1","0.0208333","","Schäfer, Marion; Bobev, Svilen","Synthesis and Structural Characterization of the New Clathrates K8Cd4Ge42, Rb8Cd4Ge42, and Cs8Cd4Ge42","Materials","2016","9","4","236","","10.3390/ma9040236","","","0.71073","MoKα","","0.0232","0.0178","","","0.0365","0.0386","","","","","","1.064","","","","has coordinates","182554","2020-10-21","18:00:00",""
"1543250","10.871","0.0004","10.871","0.0004","10.871","0.0004","90","","90","","90","","1284.72","0.08","200","2","200","2","","","","","","","","3","P m -3 n","-P 4n 2 3","223","","","","- Cd3.8 Ge42.2 K8 -","- Cd3.774 Ge42.226 K8 -","- Cd3.774 Ge42.226 K8 -","1","0.0208333","","Schäfer, Marion; Bobev, Svilen","Synthesis and Structural Characterization of the New Clathrates K8Cd4Ge42, Rb8Cd4Ge42, and Cs8Cd4Ge42","Materials","2016","9","4","236","","10.3390/ma9040236","","","0.71073","MoKα","","0.0241","0.0182","","","0.0359","0.0378","","","","","","1.156","","","","has coordinates","182555","2020-10-21","18:00:00",""
"1543251","10.9643","0.0007","10.9643","0.0007","10.9643","0.0007","90","","90","","90","","1318.08","0.15","200","2","200","2","","","","","","","","3","P m -3 n","-P 4n 2 3","223","","","","- Cd3.6 Cs7.8 Ge42.4 -","- Cd3.642 Cs7.796 Ge42.358 -","- Cd3.642 Cs7.796 Ge42.358 -","1","0.0208333","","Schäfer, Marion; Bobev, Svilen","Synthesis and Structural Characterization of the New Clathrates K8Cd4Ge42, Rb8Cd4Ge42, and Cs8Cd4Ge42","Materials","2016","9","4","236","","10.3390/ma9040236","","","0.71073","MoKα","","0.018","0.0138","","","0.0298","0.0314","","","","","","1.116","","","","has coordinates","182556","2020-10-21","18:00:00",""
"1543252","10.9643","0.0007","10.9643","0.0007","10.9643","0.0007","90","","90","","90","","1318.08","0.15","200","2","200","2","","","","","","","","3","P m -3 n","-P 4n 2 3","223","","","","- Cd4 Cs8 Ge42 -","- Cd3.864 Cs8 Ge42.136 -","- Cd3.864 Cs8 Ge42.136 -","1","0.0208333","","Schäfer, Marion; Bobev, Svilen","Synthesis and Structural Characterization of the New Clathrates K8Cd4Ge42, Rb8Cd4Ge42, and Cs8Cd4Ge42","Materials","2016","9","4","236","","10.3390/ma9040236","","","0.71073","MoKα","","0.0247","0.0205","","","0.0518","0.0539","","","","","","1.176","","","","has coordinates","182557","2020-10-21","18:00:00",""
"1543253","8.9612","0.0003","5.0796","0.0002","12.5535","0.0004","90","","102.438","0.001","90","","558.02","0.03","295","2","295","2","","","","","","","","4","P 1 21 1","P 2yb","4","Benzimidazolium <i>L</i>-aspartate","1<i>H</i>-benzo[<i>d</i>]imidazol-3-ium 2-azaniumylsuccinate","","- C11 H13 N3 O4 -","- C11 H13 N3 O4 -","- C22 H26 N6 O8 -","2","1","SU4038","Amudha, M.; Kumar, P. Praveen; Chakkaravarthi, G.","Benzimidazolium <small>L</small>-aspartate","IUCrData","2016","1","5","x160677","","10.1107/S2414314616006775","","","0.71073","MoKα","","0.0299","0.0278","","","0.0709","0.0729","","","","","","1.037","","","","has coordinates,has Fobs","182570","2020-10-21","18:00:00",""
"1543254","8.6253","0.0019","7.125","0.0016","26.289","0.006","90","","90","","90","","1615.6","0.6","120","2","120.02","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","4,6-Dichloro-1<i>H</i>-indole-2,3-dione","","- C8 H3 Cl2 N O2 -","- C8 H3 Cl2 N O2 -","- C64 H24 Cl16 N8 O16 -","8","1","HB4042","Mastrolia, Ronald J.; Golen, James A.; Manke, David R.","4,6-Dichloro-1<i>H</i>-indole-2,3-dione","IUCrData","2016","1","5","x160695","","10.1107/S2414314616006957","","","1.54178","CuKα","","0.0398","0.0381","","","0.0966","0.0977","","","","","","1.1","","","","has coordinates,has Fobs","182571","2020-10-21","18:00:00",""
"1543255","11.2908","0.001","13.8516","0.0014","14.6956","0.0017","104.477","0.008","96.359","0.008","111.675","0.007","2014.6","0.4","296","1","296","1","","","","","","","","7","P -1","-P 1","2","","Bis(pentafluorobenzenethiolato-κ<i>S</i>){(pentafluorophenyl)phenyl[3,4,5,6-tetrafluoro-2-(pentafluorophenylsulfanyl)phenyl]phosphane-κ^2^<i>P</i>,<i>S</i>}platinum(II) dichloromethane hemisolvate","","- C36.5 H6 Cl F24 P Pt S3 -","- C36.5 H6 Cl F24 P Pt S3 -","- C73 H12 Cl2 F48 P2 Pt2 S6 -","2","1","FF4006","Bernès, Sylvain; Torrens, Hugo","Bis(pentafluorobenzenethiolato-κ<i>S</i>){(pentafluorophenyl)phenyl[3,4,5,6-tetrafluoro-2-(pentafluorophenylsulfanyl)phenyl]phosphane-κ^2^<i>P</i>,<i>S</i>}platinum(II) dichloromethane hemisolvate","IUCrData","2016","1","5","x160696","","10.1107/S2414314616006969","","","0.71073","MoKα","","0.0521","0.0368","","","0.0824","0.089","","","","","","1.023","","","","has coordinates,has Fobs","182572","2020-10-21","18:00:00",""
"1543256","11.8562","0.0003","7.1984","0.0002","25.4331","0.0005","90","","101.045","0.001","90","","2130.4","0.09","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Ethyl 13-(4-chlorophenyl)-11-methyl-6-oxo-5-phenyl-8-thia-3,4,5,10-tetraazatricyclo[7.4.0.0^2,7^]trideca-1(9),2(7),3,10,12-pentaene-12-carboxylate","","- C24 H17 Cl N4 O3 S -","- C24 H17 Cl N4 O3 S -","- C96 H68 Cl4 N16 O12 S4 -","4","1","TK4011","Al-Taifi, Elham A.; Mague, Joel T.; Mohamed, Shaaban K.; Akkurt, Mehmet; Bakhite, Etify A.","Ethyl 13-(4-chlorophenyl)-11-methyl-6-oxo-5-phenyl-8-thia-3,4,5,10-tetraazatricyclo[7.4.0.0^2,7^]trideca-1(9),2(7),3,10,12-pentaene-12-carboxylate","IUCrData","2016","1","5","x160701","","10.1107/S241431461600701X","","","1.54178","CuKα","","0.0335","0.0313","","","0.0812","0.0832","","","","","","1.021","","","","has coordinates,has disorder,has Fobs","182573","2020-10-21","18:00:00",""
"1543257","9.87","0.007","10.624","0.008","11.319","0.007","74.34","0.02","81.35","0.02","68.246","0.019","1059.8","1.3","173","","173","","","","","","","","","6","P -1","-P 1","2","","Bis[μ-2-(trimethylsilylamido)-6-(trimethylsilylamino)pyridine-κ^3^<i>N</i>^1^,<i>N</i>^2^:<i>N</i>^2^]bis[(diethyl ether-κ<i>O</i>)lithium(I)]","","- C30 H64 Li2 N6 O2 Si4 -","- C30 H64 Li2 N6 O2 Si4 -","- C30 H64 Li2 N6 O2 Si4 -","1","0.5","BH4003","Rave, Justin A.; Garcia, Diego A.; Hillesheim, Patrick C.; Guillet, Gary L.","Bis[μ-2-(trimethylsilylamido)-6-(trimethylsilylamino)pyridine-κ^3^<i>N</i>^1^,<i>N</i>^2^:<i>N</i>^2^]bis[(diethyl ether-κ<i>O</i>)lithium(I)]","IUCrData","2016","1","5","x160707","","10.1107/S2414314616007070","","","0.71073","MoKα","","0.1087","0.0592","","","0.1249","0.1575","","","","","","1.032","","","","has coordinates,has disorder,has Fobs","183649","2020-10-21","18:00:00",""
"1543258","9.397","0.003","41.912","0.011","37.099","0.011","90","","90.262","0.003","90","","14611","7","150","","150","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C152 H152 Cl8 N8 O12 -","- C152 H52 Cl8 N8 O12 -","- C608 H208 Cl32 N32 O48 -","4","1","","Katoono, Ryo; Kawai, Shunsuke; Suzuki, Takanori","Dynamic helical cyclophanes with two quadruply-bridged planes arranged in an “obverse and/or reverse” relation","Chem. Sci.","2016","7","5","3240","","10.1039/C5SC04673D","","","0.71075","MoKα","","","0.1604","","","","0.4336","","","","","","1.997","","","","has coordinates","182583","2020-10-21","18:00:00",""
"1543259","5.9126","0.0003","22.9872","0.0019","12.2565","0.0008","90","","90.513","0.001","90","","1665.76","0.19","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C19 H26 O3 -","- C19 H26 O3 -","- C38 H52 O6 -","2","1","","Li, Xiao-Dong; Li, Xiao-Ming; Li, Xin; Xu, Gang-Ming; Liu, Yang; Wang, Bin-Gui","Aspewentins D-H, 20-Nor-isopimarane Derivatives from the Deep Sea Sediment-Derived Fungus Aspergillus wentii SD-310.","Journal of natural products","2016","79","5","1347","1353","10.1021/acs.jnatprod.5b01153","","","1.54178","CuKα","","0.1221","0.0838","","","0.2491","0.2967","","","","","","1.1","","","","has coordinates","194547","2020-10-21","18:00:00",""
"1543260","6.6545","0.0009","7.7124","0.001","12.1476","0.0016","87.201","0.003","88.293","0.003","71.09","0.003","589.03","0.14","291","2","291","2","","","","","","","","5","P -1","-P 1","2","","","","- C12 H11 N O2 S2 -","- C12 H11 N O2 S2 -","- C24 H22 N2 O4 S4 -","2","1","","Shukla, Gaurav; Srivastava, Abhijeet; Singh, Maya Shankar","Metal- and Catalyst-Free, Formal [4 + 1] Annulation via Tandem C═O/C═S Functionalization: One-Pot Access to 3,5-Disubstituted/Annulated Isothiazoles.","Organic letters","2016","18","10","2451","2454","10.1021/acs.orglett.6b00997","","","0.71073","MoKα","","0.0419","0.0359","","","0.0954","0.1002","","","","","","1.063","","","","has coordinates","184953","2020-10-21","18:00:00",""
"1543261","9.8714","0.0007","11.0898","0.0008","12.4017","0.0006","75.477","0.005","84.873","0.005","77.924","0.006","1284.2","0.15","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C26 H21 F N2 O4 S -","- C26 H21 F N2 O4 S -","- C52 H42 F2 N4 O8 S2 -","2","1","","Cheng, Dong; Ling, Fei; Zheng, Chenguang; Ma, Cheng","Tuning of Copper-Catalyzed Multicomponent Reactions toward 3-Functionalized Oxindoles.","Organic letters","2016","18","10","2435","2438","10.1021/acs.orglett.6b00964","","","0.71073","MoKα","","0.0987","0.0512","","","0.1293","0.1388","","","","","","0.868","","","","has coordinates","198632","2020-10-21","18:00:00",""
"1543262","12.8999","0.0002","8.74","0.00016","20.7336","0.0004","90","","92.1223","0.0015","90","","2336.01","0.07","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C26 H24 N2 O5 S -","- C26 H24 N2 O5 S -","- C104 H96 N8 O20 S4 -","4","1","","Cheng, Dong; Ling, Fei; Zheng, Chenguang; Ma, Cheng","Tuning of Copper-Catalyzed Multicomponent Reactions toward 3-Functionalized Oxindoles.","Organic letters","2016","18","10","2435","2438","10.1021/acs.orglett.6b00964","","","1.54184","CuKα","","0.0509","0.0401","","","0.0983","0.1065","","","","","","1.033","","","","has coordinates","198632","2020-10-21","18:00:00",""
"1543263","9.8063","0.0008","11.6743","0.0008","12.6069","0.0007","117.544","0.006","101.784","0.006","99.146","0.007","1198.13","0.18","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H22 N2 O4 S -","- C28 H22 N2 O4 S -","- C56 H44 N4 O8 S2 -","2","1","","Cheng, Dong; Ling, Fei; Zheng, Chenguang; Ma, Cheng","Tuning of Copper-Catalyzed Multicomponent Reactions toward 3-Functionalized Oxindoles.","Organic letters","2016","18","10","2435","2438","10.1021/acs.orglett.6b00964","","","0.71073","MoKα","","0.061","0.0431","","","0.1038","0.1161","","","","","","1.04","","","","has coordinates","184960","2020-10-21","18:00:00",""
"1543264","10.3056","0.0005","14.0546","0.0006","17.9127","0.0009","90","","106.449","0.005","90","","2488.3","0.2","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C28 H21 F N2 O4 S -","- C28 H21 F N2 O4 S -","- C112 H84 F4 N8 O16 S4 -","4","1","","Cheng, Dong; Ling, Fei; Zheng, Chenguang; Ma, Cheng","Tuning of Copper-Catalyzed Multicomponent Reactions toward 3-Functionalized Oxindoles.","Organic letters","2016","18","10","2435","2438","10.1021/acs.orglett.6b00964","","","0.71073","MoKα","","0.076","0.0462","","","0.104","0.1193","","","","","","1.018","","","","has coordinates,has disorder","184960","2020-10-21","18:00:00",""
"1543265","12.422","0.004","16.732","0.006","18.496","0.006","106.88","0.005","94.237","0.003","108.521","0.003","3429","2","173.15","","173.15","","","","","","","","","4","P -1","-P 1","2","","compound 2","","- C102.5 H38 O4 S7 -","- C102.5 H38 O4 S7 -","- C205 H76 O8 S14 -","2","1","","Xiao, Zuo; Geng, Xinjian; He, Dan; Jia, Xue; Ding, Liming","Development of isomer-free fullerene bisadducts for efficient polymer solar cells","Energy Environ. Sci.","2016","9","6","2114","","10.1039/C6EE01026A","","","0.71073","MoKα","","0.1248","0.1046","","","0.279","0.2971","","","","","","1.14","","","","has coordinates,has disorder","185550","2020-10-21","18:00:00",""
"1543266","14.1171","0.0005","17.2567","0.0007","18.6353","0.0006","101.068","0.003","102.967","0.003","96.525","0.003","4283.1","0.3","100.03","0.17","100.03","0.17","","","","","","","","3","P -1","-P 1","2","","compound 3","","- C110 H56 O8 -","- C110 H56 O8 -","- C220 H112 O16 -","2","1","","Xiao, Zuo; Geng, Xinjian; He, Dan; Jia, Xue; Ding, Liming","Development of isomer-free fullerene bisadducts for efficient polymer solar cells","Energy Environ. Sci.","2016","9","6","2114","","10.1039/C6EE01026A","","","0.71073","MoKα","","0.1302","0.0745","","","0.2014","0.2242","","","","","","1.023","","","","has coordinates","185550","2020-10-21","18:00:00",""
"1543267","23.316","0.007","10.157","0.003","17.402","0.005","90","","98.718","0.005","90","","4074","2","173.15","","173.15","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","e-PPMF","","- C77 H16 O2.6 -","- C77 H16 O2.618 -","- C308 H64 O10.472 -","4","1","","Xiao, Zuo; Geng, Xinjian; He, Dan; Jia, Xue; Ding, Liming","Development of isomer-free fullerene bisadducts for efficient polymer solar cells","Energy Environ. Sci.","2016","9","6","2114","","10.1039/C6EE01026A","","","0.71073","MoKα","","0.1307","0.1015","","","0.2375","0.2523","","","","","","1.438","","","","has coordinates,has disorder","185550","2020-10-21","18:00:00",""
"1543268","9.5684","0.0003","16.352","0.0005","13.9609","0.0004","90","","95.255","0.003","90","","2175.18","0.11","290","2","290","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","[(o-Cy2PC6H4SO3)Ni(allyl)] (1c)","","- C21 H31 Ni O3 P S -","- C21 H31 Ni O3 P S -","- C84 H124 Ni4 O12 P4 S4 -","4","1","","Wang, Ruikun; Zhao, Minhui; Chen, Changle","Influence of ligand second coordination sphere effects on the olefin (co)polymerization properties of α-diimine Pd(ii) catalysts","Polym. Chem.","2016","7","23","3933","","10.1039/C6PY00750C","","","0.71073","MoKα","","0.0418","0.0332","","","0.0814","0.0859","","","","","","1.032","","","","has coordinates","183798","2020-10-21","18:00:00",""
"1543269","17.9232","0.0008","12.4144","0.0005","19.2095","0.0008","90","","116.795","0.001","90","","3815.3","0.3","180","2","180","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C23 H16 Br N O2 -","- C23 H16 Br N O2 -","- C184 H128 Br8 N8 O16 -","8","1","","Xu, Ning; Gu, Da-Wei; Zi, Jing; Wu, Xin-Yan; Guo, Xun-Xiang","Enantioselective Synthesis of 3-Alkynyl-3-hydroxyindolin-2-ones by Copper-Catalyzed Asymmetric Addition of Terminal Alkynes to Isatins.","Organic letters","2016","18","10","2439","2442","10.1021/acs.orglett.6b00971","","","1.54178","CuKα","","0.0394","0.036","","","0.1109","0.1215","","","","","","1.256","","","","has coordinates","184954","2020-10-21","18:00:00",""
"1543270","13.8715","0.0006","5.5938","0.0002","17.2693","0.001","90","","113.43","0.0014","90","","1229.51","0.1","300","","300","","","","","","","","","3","P 1 21/a 1","-P 2yab","14","5,10-dimethyl-5,10-dihydroindolo[3,2-b]indole",";Indoloindole;","","- C16 H14 N2 -","- C16 H14 N2 -","- C64 H56 N8 -","4","1","","Ho, Hon Eong; Oniwa, Kazuaki; Yamamoto, Yoshinori; Jin, Tienan","N-Methyl Transfer Induced Copper-Mediated Oxidative Diamination of Alkynes.","Organic letters","2016","18","10","2487","2490","10.1021/acs.orglett.6b01067","","","0.71075","MoKα","","0.0754","0.0588","","","0.1768","0.1908","","","","","","1.067","","","","has coordinates","184958","2020-10-21","18:00:00",""
"1543271","8.8549","0.0004","18.0318","0.0009","10.1285","0.0005","90","","108.362","0.002","90","","1534.88","0.13","100","1","100","1","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","1-Benzhydrylphthalazine","","- C21 H16 N2 -","- C21 H16 N2 -","- C84 H64 N8 -","4","1","","Brachet, Etienne; Marzo, Leyre; Selkti, Mohamed; König, Burkhard; Belmont, Philippe","Visible light amination/Smiles cascade: access to phthalazine derivatives","Chem. Sci.","2016","7","8","5002","","10.1039/C6SC01095D","","","0.71073","MoKα","","0.0574","0.0468","","","0.1165","0.1245","","","","","","1.027","","","","has coordinates","185159","2020-10-21","18:00:00",""
"1543272","19.533","0.004","7.5052","0.0015","21.247","0.004","90","","90","","90","","3114.8","1.1","296","2","296","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C23 H15 N -","- C23 H15 N -","- C184 H120 N8 -","8","1","","Singh, Karandeep; Singh, Ajay K.; Singh, Devendra; Singh, Rakhi; Sharma, Siddharth","Pd/Fe3O4supported on nitrogen-doped reduced graphene oxide for room-temperature isocyanide insertion reactions","Catal. Sci. Technol.","2016","6","11","3723","","10.1039/C5CY01973G","","","0.71073","MoKα","","0.1231","0.0578","","","0.1398","0.1671","","","","","","0.934","","","","has coordinates","185091","2020-10-21","18:00:00",""
"1543273","12.9588","0.0011","13.5352","0.0009","18.2226","0.0015","90","","126.432","0.005","90","","2571.6","0.4","123","2","123","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C54 H73 N4 Si2 -","- C54 H73 N4 Si2 -","- C108 H146 N8 Si4 -","2","0.5","","Arz, Marius I.; Schnakenburg, Gregor; Meyer, Andreas; Schiemann, Olav; Filippou, Alexander C.","The Si2H radical supported by two N-heterocyclic carbenes","Chem. Sci.","2016","7","8","4973","","10.1039/C6SC01569G","","","0.71073","MoKα","","0.1885","0.0755","","","0.1721","0.2042","","","","","","0.754","","","","has coordinates","185148","2020-10-21","18:00:00",""
"1543274","29.889","0.002","4.8479","0.0003","20.0427","0.0016","90","","104.337","0.002","90","","2813.7","0.3","200","","200","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","4-(3-Bromopropyloxy)-1-hydroxy-9,10-anthraquinone","","- C17 H13 Br O4 -","- C17 H13 Br O4 -","- C136 H104 Br8 O32 -","8","1","PK4005","Ohira, Natsumi; Takehara, Munenori; Inoue, Yoshinori; Kitamura, Chitoshi","4-(3-Bromopropyloxy)-1-hydroxy-9,10-anthraquinone","IUCrData","2016","1","5","x160753","","10.1107/S2414314616007537","","","0.71073","MoKα","","0.0411","0.03","","","0.0742","0.0803","","","","","","1.102","","","","has coordinates,has Fobs","182859","2020-10-21","18:00:00",""
"1543275","14.1096","0.0006","14.1096","0.0006","24.6537","0.0011","90","","90","","90","","4908.1","0.4","293","2","293","2","","","","","","","","4","I 41/a :2","-I 4ad","88","","2-Amino-6-methylpyridinium 2-hydroxybenzoate","","- C13 H14 N2 O3 -","- C13 H14 N2 O3 -","- C208 H224 N32 O48 -","16","1","BT4008","Sivakumar, P.; Sudhahar, S.; Israel, S.; Chakkaravarthi, G.","2-Amino-6-methylpyridinium 2-hydroxybenzoate","IUCrData","2016","1","5","x160747","","10.1107/S2414314616007471","","","0.71073","MoKα","","0.1063","0.0546","","","0.1401","0.191","","","","","","1.052","","","","has coordinates,has Fobs","182860","2020-10-21","18:00:00",""
"1543276","6.3268","0.0008","7.2868","0.001","28.272","0.004","90","","90","","90","","1303.4","0.3","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","<i>N</i>'-[(<i>E</i>)-4-Methylbenzylidene]pyridine-4-carbohydrazide monohydrate","","- C14 H15 N3 O2 -","- C14 H15 N3 O2 -","- C56 H60 N12 O8 -","4","1","HB4039","Pereira Almeida, Wanda; Paes Koury, Isabela; de Simoni, Deborah","<i>N</i>'-[(<i>E</i>)-4-Methylbenzylidene]pyridine-4-carbohydrazide monohydrate","IUCrData","2016","1","5","x160752","","10.1107/S2414314616007525","","","0.71073","MoKα","","0.0315","0.0298","","","0.0779","0.0788","","","","","","1.061","","","","has coordinates,has Fobs","182861","2020-10-21","18:00:00",""
"1543277","14.6503","0.0006","9.6974","0.0003","15.2946","0.0007","90","","93.284","0.002","90","","2169.33","0.15","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","5-Benzoyl-2-(5-bromo-1<i>H</i>-indol-3-yl)-4-(4-methoxyphenyl)-1<i>H</i>-pyrrole-3-carbonitrile","","- C27 H18 Br N3 O2 -","- C27 H18 Br N3 O2 -","- C108 H72 Br4 N12 O8 -","4","1","SU4044","Vimala, G.; Raja, J. Kamal; Perumal, P. T.; SubbiahPandi, A.","5-Benzoyl-2-(5-bromo-1<i>H</i>-indol-3-yl)-4-(4-methoxyphenyl)-1<i>H</i>-pyrrole-3-carbonitrile","IUCrData","2016","1","5","x160724","","10.1107/S2414314616007240","","","0.71073","MoKα","","0.0692","0.0353","","","0.1025","0.1386","","","","","","0.78","","","","has coordinates,has Fobs","182862","2020-10-21","18:00:00",""
"1543278","30.1064","0.0012","17.5911","0.0007","13.7937","0.0008","90","","92.613","0.004","90","","7297.6","0.6","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","(<i>E</i>)-4-Hydroxy-6-methyl-3-[1-(2-phenylhydrazinylidene)ethyl]-2<i>H</i>-pyran-2-one","","- C14 H14 N2 O3 -","- C14 H14 N2 O3 -","- C336 H336 N48 O72 -","24","3","SJ4030","Rahmouni, Samra; Djedouani, Amel; Touzani, Rachid; Fleutot, Solenne; Bendaas, Abderrahmen","(<i>E</i>)-4-Hydroxy-6-methyl-3-[1-(2-phenylhydrazinylidene)ethyl]-2<i>H</i>-pyran-2-one","IUCrData","2016","1","5","x160729","","10.1107/S241431461600729X","","","0.71073","MoKα","","0.0867","0.0482","","","0.109","0.1253","","","","","","1.02","","","","has coordinates,has Fobs","182863","2020-10-21","18:00:00",""
"1543279","6.1422","0.0014","18.117","0.004","11.061","0.002","90","","98.896","0.008","90","","1216","0.4","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","<i>N</i>-(5-Chloro-2-hydroxyphenyl)-<i>N</i>'-(3-hydroxypropyl)ethanediamide","","- C11 H13 Cl N2 O4 -","- C11 H13 Cl N2 O4 -","- C44 H52 Cl4 N8 O16 -","4","1","SJ4028","Wang, Chang-Kai; Zheng, Kang; Li, Yan-Tuan; Wu, Zhi-Yong","<i>N</i>-(5-Chloro-2-hydroxyphenyl)-<i>N</i>'-(3-hydroxypropyl)oxalamide","IUCrData","2016","1","5","x160737","","10.1107/S2414314616007379","","","0.71073","MoKα","","0.1042","0.0471","","","0.0889","0.1065","","","","","","0.996","","","","has coordinates,has Fobs","182864","2020-10-21","18:00:00",""
"1543280","9.6524","0.0017","10.1168","0.0017","16.655","0.003","101.299","0.008","106.315","0.009","95.628","0.008","1510.2","0.5","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","(<i>E</i>)-2-Phenyl-<i>N</i>-(thiophen-2-ylmethylidene)imidazo[1,2-<i>a</i>]pyridin-3-amine","","- C18 H13 N3 S -","- C18 H13 N3 S -","- C72 H52 N12 S4 -","4","2","BT4007","Elaatiaoui, Abdelmalik; Elkalai, Fouad; Benchat, Noureddine; Saadi, Mohamed; El Ammari, Lahcen","(<i>E</i>)-2-Phenyl-<i>N</i>-(thiophen-2-ylmethylidene)imidazo[1,2-<i>a</i>]pyridin-3-amine","IUCrData","2016","1","5","x160723","","10.1107/S2414314616007239","","","0.71073","MoKα","","0.0742","0.0436","","","0.1068","0.1247","","","","","","1.023","","","","has coordinates,has Fobs","182865","2020-10-21","18:00:00",""
"1543281","20.258","0.005","20.258","0.005","18.302","0.004","90","","90","","120","","6505","3","100","2","100","2","","","","","","","","7","P 63","P 6c","173","","","","- C126.5 H171 Cl13 N6 O6 S2 U2 -","- C126.5 H170 Cl12.9999 N6 O6 S2 U2 -","- C253 H340 Cl25.9998 N12 O12 S4 U4 -","2","0.333333","","Rosenzweig, Michael W.; Scheurer, Andreas; Lamsfus, Carlos A.; Heinemann, Frank W.; Maron, Laurent; Andrez, Julie; Mazzanti, Marinella; Meyer, Karsten","Uranium(iv) terminal hydrosulfido and sulfido complexes: insights into the nature of the uranium‒sulfur bond","Chem. Sci.","2016","7","9","5857","","10.1039/C6SC00677A","","","0.71073","MoKα","","0.0385","0.0307","","","0.0696","0.0714","","","","","","1.133","","","","has coordinates,has disorder","186330","2020-10-21","18:00:00",""
"1543282","21.017","0.002","12.8557","0.0012","28.173","0.003","90","","101.271","0.003","90","","7465.2","1.3","100","2","100.15","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C85.23 H109.53 K N3 O9.38 S U -","- C85.234 H109.532 K N3 O9.383 S U -","- C340.936 H438.128 K4 N12 O37.532 S4 U4 -","4","1","","Rosenzweig, Michael W.; Scheurer, Andreas; Lamsfus, Carlos A.; Heinemann, Frank W.; Maron, Laurent; Andrez, Julie; Mazzanti, Marinella; Meyer, Karsten","Uranium(iv) terminal hydrosulfido and sulfido complexes: insights into the nature of the uranium‒sulfur bond","Chem. Sci.","2016","7","9","5857","","10.1039/C6SC00677A","","","0.71073","MoKα","","0.0561","0.0434","","","0.0829","0.0867","","","","","","1.286","","","","has coordinates,has disorder","186330","2020-10-21","18:00:00",""
"1543283","14.9009","0.0019","14.9009","0.0019","19.249","0.003","90","","90","","120","","3701.4","0.9","100","2","100.15","","","","","","","","","7","P 63","P 6c","173","","","","- C78 H114 K N5 O9 S U -","- C78 H114 K N5 O9 S U -","- C156 H228 K2 N10 O18 S2 U2 -","2","0.333333","","Rosenzweig, Michael W.; Scheurer, Andreas; Lamsfus, Carlos A.; Heinemann, Frank W.; Maron, Laurent; Andrez, Julie; Mazzanti, Marinella; Meyer, Karsten","Uranium(iv) terminal hydrosulfido and sulfido complexes: insights into the nature of the uranium‒sulfur bond","Chem. Sci.","2016","7","9","5857","","10.1039/C6SC00677A","","","0.71073","MoKα","","0.0687","0.0319","","","0.0561","0.0645","","","","","","1.028","","","","has coordinates","186330","2020-10-21","18:00:00",""
"1543284","13.2622","0.0007","15.3715","0.0006","20.3762","0.001","76.53","0.004","74.27","0.004","65.093","0.004","3592.7","0.3","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C51.5 H112 K2 O16 S Si4 U -","- C51.5 H112 K2 O16 S Si4 U -","- C103 H224 K4 O32 S2 Si8 U2 -","2","1","","Andrez, Julie; Pécaut, Jacques; Scopelliti, Rosario; Kefalidis, Christos E.; Maron, Laurent; Rosenzweig, Michael W.; Meyer, Karsten; Mazzanti, Marinella","Synthesis and reactivity of a terminal uranium(iv) sulfide supported by siloxide ligands","Chem. Sci.","2016","7","9","5846","","10.1039/C6SC00675B","","","0.71073","MoKα","","0.0637","0.0449","","","0.0785","0.0857","","","","","","1.017","","","","has coordinates,has disorder","186333","2020-10-21","18:00:00",""
"1543285","16.3304","0.0014","26.8","0.0019","18.8582","0.0015","90","","91.476","0.009","90","","8250.6","1.1","150","2","150","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C122 H256 K4 O38 S2 Si8 U2 -","- C122 H256 K4 O38 S2 Si8 U2 -","- C244 H512 K8 O76 S4 Si16 U4 -","2","0.5","","Andrez, Julie; Pécaut, Jacques; Scopelliti, Rosario; Kefalidis, Christos E.; Maron, Laurent; Rosenzweig, Michael W.; Meyer, Karsten; Mazzanti, Marinella","Synthesis and reactivity of a terminal uranium(iv) sulfide supported by siloxide ligands","Chem. Sci.","2016","7","9","5846","","10.1039/C6SC00675B","","","0.71073","MoKα","","0.1642","0.0778","","","0.1","0.1282","","","","","","0.931","","","","has coordinates,has disorder","186333","2020-10-21","18:00:00",""
"1543286","14.61","0.002","17.221","0.003","19.8684","0.0019","84.563","0.01","84.218","0.009","83.002","0.012","4919.1","1.2","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C72 H158 K2 N2 O22 S Si4 U -","- C72 H158 K2 N2 O22 S Si4 U -","- C144 H316 K4 N4 O44 S2 Si8 U2 -","2","1","","Andrez, Julie; Pécaut, Jacques; Scopelliti, Rosario; Kefalidis, Christos E.; Maron, Laurent; Rosenzweig, Michael W.; Meyer, Karsten; Mazzanti, Marinella","Synthesis and reactivity of a terminal uranium(iv) sulfide supported by siloxide ligands","Chem. Sci.","2016","7","9","5846","","10.1039/C6SC00675B","","","0.71073","MoKα","","0.1037","0.0677","","","0.1388","0.1574","","","","","","1.181","","","","has coordinates,has disorder","186333","2020-10-21","18:00:00",""
"1543287","27.6846","0.0008","17.5786","0.0004","14.8975","0.0004","90","","90","","90","","7250","0.3","150","2","150","2","","","","","","","","8","P 21 21 2","P 2 2ab","18","","","","- C90 H198 K4 N2 O30 S3 Si6 U2 -","- C90 H198 K4 N2 O30 S3 Si6 U2 -","- C180 H396 K8 N4 O60 S6 Si12 U4 -","2","0.5","","Andrez, Julie; Pécaut, Jacques; Scopelliti, Rosario; Kefalidis, Christos E.; Maron, Laurent; Rosenzweig, Michael W.; Meyer, Karsten; Mazzanti, Marinella","Synthesis and reactivity of a terminal uranium(iv) sulfide supported by siloxide ligands","Chem. Sci.","2016","7","9","5846","","10.1039/C6SC00675B","","","0.71073","MoKα","","0.1361","0.0752","","","0.1315","0.156","","","","","","1.021","","","","has coordinates,has disorder","186333","2020-10-21","18:00:00",""
"1543288","28.669","0.003","13.985","0.002","28.721","0.004","90","","97.583","0.009","90","","11415","3","100","2","100","2","","","","","","","","7","P 1 2/n 1","-P 2yac","13","","","","- C79 H170 K2 O24 S4.66 Si6 U2 -","- C79 H170 K2 O24 S4.651 Si6 U2 -","- C316 H680 K8 O96 S18.604 Si24 U8 -","4","1","","Andrez, Julie; Pécaut, Jacques; Scopelliti, Rosario; Kefalidis, Christos E.; Maron, Laurent; Rosenzweig, Michael W.; Meyer, Karsten; Mazzanti, Marinella","Synthesis and reactivity of a terminal uranium(iv) sulfide supported by siloxide ligands","Chem. Sci.","2016","7","9","5846","","10.1039/C6SC00675B","","","0.71073","MoKα","","0.1123","0.054","","","0.0946","0.1258","","","","","","1.146","","","","has coordinates,has disorder","186333","2020-10-21","18:00:00",""
"1543289","13.8962","0.0005","24.5807","0.0016","26.1417","0.0014","90","","95.317","0.005","90","","8891","0.8","150","2","150","2","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C67 H141 K O22 S Si4 U -","- C67 H141 K O22 S Si4 U -","- C268 H564 K4 O88 S4 Si16 U4 -","4","1","","Andrez, Julie; Pécaut, Jacques; Scopelliti, Rosario; Kefalidis, Christos E.; Maron, Laurent; Rosenzweig, Michael W.; Meyer, Karsten; Mazzanti, Marinella","Synthesis and reactivity of a terminal uranium(iv) sulfide supported by siloxide ligands","Chem. Sci.","2016","7","9","5846","","10.1039/C6SC00675B","","","0.71073","MoKα","","0.0941","0.0674","","","0.1322","0.1462","","","","","","1.075","","","","has coordinates,has disorder","186333","2020-10-21","18:00:00",""
"1543290","13.9735","0.0017","18.272","0.0011","22.168","0.003","90","","94.534","0.012","90","","5642.3","1.1","100","2","100","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C79 H170 K2 O24 S3 Si6 U2 -","- C79 H170 K2 O24 S3 Si6 U2 -","- C158 H340 K4 O48 S6 Si12 U4 -","2","1","","Andrez, Julie; Pécaut, Jacques; Scopelliti, Rosario; Kefalidis, Christos E.; Maron, Laurent; Rosenzweig, Michael W.; Meyer, Karsten; Mazzanti, Marinella","Synthesis and reactivity of a terminal uranium(iv) sulfide supported by siloxide ligands","Chem. Sci.","2016","7","9","5846","","10.1039/C6SC00675B","","","0.71073","MoKα","","0.0642","0.0463","","","0.1053","0.1327","","","","","","1.156","","","","has coordinates,has disorder","186333","2020-10-21","18:00:00",""
"1543291","19.2882","0.0005","19.378","0.0005","40.5378","0.0009","90","","90","","90","","15151.7","0.6","150","2","150","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C55 H116 K2 O16 S2 Si4 U -","- C55 H116 K2 O16 S2 Si4 U -","- C440 H928 K16 O128 S16 Si32 U8 -","8","1","","Andrez, Julie; Pécaut, Jacques; Scopelliti, Rosario; Kefalidis, Christos E.; Maron, Laurent; Rosenzweig, Michael W.; Meyer, Karsten; Mazzanti, Marinella","Synthesis and reactivity of a terminal uranium(iv) sulfide supported by siloxide ligands","Chem. Sci.","2016","7","9","5846","","10.1039/C6SC00675B","","","0.71073","MoKα","","0.109","0.055","","","0.0976","0.1153","","","","","","1.082","","","","has coordinates,has disorder","186333","2020-10-21","18:00:00",""
"1543292","14.1455","0.0008","18.059","0.0013","22.1126","0.0012","90","","92.218","0.005","90","","5644.5","0.6","150","2","150","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C79 H170 K2 O24 S4.36 Si6 U2 -","- C79 H170 K2 O24 S4.366 Si6 U2 -","- C158 H340 K4 O48 S8.732 Si12 U4 -","2","0.5","","Andrez, Julie; Pécaut, Jacques; Scopelliti, Rosario; Kefalidis, Christos E.; Maron, Laurent; Rosenzweig, Michael W.; Meyer, Karsten; Mazzanti, Marinella","Synthesis and reactivity of a terminal uranium(iv) sulfide supported by siloxide ligands","Chem. Sci.","2016","7","9","5846","","10.1039/C6SC00675B","","","0.71073","MoKα","","0.0839","0.0475","","","0.0922","0.1055","","","","","","1.034","","","","has coordinates,has disorder","186333","2020-10-21","18:00:00",""
"1543293","9.8099","0.0003","20.1079","0.0005","13.9635","0.0004","90","","106.852","0.002","90","","2636.11","0.13","100","2","99.99","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C22 H38 Cl Ir O3 P2 -","- C22 H38 Cl Ir O3 P2 -","- C88 H152 Cl4 Ir4 O12 P8 -","4","1","","Rimoldi, Martino; Nakamura, Akitake; Vermeulen, Nicolaas A.; Henkelis, James J.; Blackburn, Anthea K.; Hupp, Joseph T.; Stoddart, J. Fraser; Farha, Omar K.","A metal‒organic framework immobilised iridium pincer complex","Chem. Sci.","2016","7","8","4980","","10.1039/C6SC01376G","","","1.54178","CuKα","","0.0728","0.0711","","","0.1429","0.1437","","","","","","1.223","","","","has coordinates,has disorder","185152","2020-10-21","18:00:00",""
"1543294","8.794","0.004","13.276","0.006","13.314","0.005","93.189","0.008","90.359","0.008","100.071","0.011","1527.9","1.1","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C20 H16 Co Cr2 N8 O7 -","- C20 H16 Co Cr2 N8 O7 -","- C40 H32 Co2 Cr4 N16 O14 -","2","1","","Scott, Hayley S.; Ogiwara, Naoki; Chen, Kai-Jie; Madden, David G.; Pham, Tony; Forrest, Katherine; Space, Brian; Horike, Satoshi; Perry IV, John J.; Kitagawa, Susumu; Zaworotko, Michael J.","Crystal engineering of a family of hybrid ultramicroporous materials based upon interpenetration and dichromate linkers","Chem. Sci.","2016","7","8","5470","","10.1039/C6SC01385F","","","0.71073","MoKα","","0.1756","0.158","","","0.3935","0.403","","","","","","1.586","","","","has coordinates","185155","2020-10-21","18:00:00",""
"1543295","8.9931","0.0011","13.0017","0.0016","13.0138","0.0016","85.457","0.003","79.543","0.003","83.613","0.003","1484.4","0.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C20 H16 Cr2 Cu N8 O7 -","- C20 H16 Cr2 Cu N8 O7 -","- C40 H32 Cr4 Cu2 N16 O14 -","2","1","","Scott, Hayley S.; Ogiwara, Naoki; Chen, Kai-Jie; Madden, David G.; Pham, Tony; Forrest, Katherine; Space, Brian; Horike, Satoshi; Perry IV, John J.; Kitagawa, Susumu; Zaworotko, Michael J.","Crystal engineering of a family of hybrid ultramicroporous materials based upon interpenetration and dichromate linkers","Chem. Sci.","2016","7","8","5470","","10.1039/C6SC01385F","","","0.71073","MoKα","","0.1107","0.0632","","","0.1243","0.1375","","","","","","1.018","","","","has coordinates","185155","2020-10-21","18:00:00",""
"1543296","8.7338","0.0017","13.153","0.003","13.155","0.003","86.75","0.03","84.55","0.03","80.39","0.03","1482","0.6","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C20 H16 Cr2 N8 Ni O7 -","- C20 H16 Cr2 N8 Ni O7 -","- C40 H32 Cr4 N16 Ni2 O14 -","2","1","","Scott, Hayley S.; Ogiwara, Naoki; Chen, Kai-Jie; Madden, David G.; Pham, Tony; Forrest, Katherine; Space, Brian; Horike, Satoshi; Perry IV, John J.; Kitagawa, Susumu; Zaworotko, Michael J.","Crystal engineering of a family of hybrid ultramicroporous materials based upon interpenetration and dichromate linkers","Chem. Sci.","2016","7","8","5470","","10.1039/C6SC01385F","","","0.71073","MoKα","","0.0716","0.0612","","","0.1537","0.1614","","","","","","1.057","","","","has coordinates","185155","2020-10-21","18:00:00",""
"1543297","8.7822","0.0018","13.27","0.003","13.278","0.003","85.51","0.03","80.23","0.03","83.94","0.03","1513.6","0.6","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C20 H16 Cr2 N8 O7 Zn -","- C20 H16 Cr2 N8 O7 Zn -","- C40 H32 Cr4 N16 O14 Zn2 -","2","1","","Scott, Hayley S.; Ogiwara, Naoki; Chen, Kai-Jie; Madden, David G.; Pham, Tony; Forrest, Katherine; Space, Brian; Horike, Satoshi; Perry IV, John J.; Kitagawa, Susumu; Zaworotko, Michael J.","Crystal engineering of a family of hybrid ultramicroporous materials based upon interpenetration and dichromate linkers","Chem. Sci.","2016","7","8","5470","","10.1039/C6SC01385F","","","0.71073","MoKα","","0.0471","0.0425","","","0.1086","0.1121","","","","","","1.06","","","","has coordinates","185155","2020-10-21","18:00:00",""
"1543298","12.8149","0.0004","13.6703","0.0004","14.6341","0.0004","109.69","0.003","90.728","0.002","112.29","0.003","2204.15","0.14","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C39 H52 Cl3 Ga Ge N8 -","- C39 H52 Cl3 Ga Ge N8 -","- C78 H104 Cl6 Ga2 Ge2 N16 -","2","1","","Xiong, Yun; Yao, Shenglai; Karni, Miriam; Kostenko, Arseni; Burchert, Alexander; Apeloig, Yitzhak; Driess, Matthias","Heavier congeners of CO and CO2as ligands: from zero-valent germanium (‘germylone’) to isolable monomeric GeX and GeX2complexes (X = S, Se, Te)","Chem. Sci.","2016","7","8","5462","","10.1039/C6SC01839D","","","1.5418","CuKα","","0.0493","0.0458","","","0.1244","0.1268","","","","","","1.092","","","","has coordinates","185164","2020-10-21","18:00:00",""
"1543299","16.2434","0.0007","21.8215","0.0009","7.6828","0.0003","90","","110.197","0.004","90","","2555.76","0.19","150","2","150","2","","","","","","","","8","C 1 m 1","C -2y","8","","","","- C39 H56 Cl3 Ga Ge N4 O2 Se2 -","- C39 H56 Cl3 Ga Ge N4 O2 Se2 -","- C78 H112 Cl6 Ga2 Ge2 N8 O4 Se4 -","2","0.5","","Xiong, Yun; Yao, Shenglai; Karni, Miriam; Kostenko, Arseni; Burchert, Alexander; Apeloig, Yitzhak; Driess, Matthias","Heavier congeners of CO and CO2as ligands: from zero-valent germanium (‘germylone’) to isolable monomeric GeX and GeX2complexes (X = S, Se, Te)","Chem. Sci.","2016","7","8","5462","","10.1039/C6SC01839D","","","1.54184","CuKα","","0.0456","0.0443","","","0.1221","0.1245","","","","","","1.086","","","","has coordinates","185164","2020-10-21","18:00:00",""
"1543300","11.3788","0.0003","13.0772","0.0003","17.5125","0.0004","69.253","0.002","83.744","0.002","84.543","0.002","2417.94","0.11","150","2","150","2","","","","","","","","8","P -1","-P 1","2","","","","- C43 H64 Cl3 Ga Ge N4 O3 Te -","- C43 H64 Cl3 Ga Ge N4 O3 Te -","- C86 H128 Cl6 Ga2 Ge2 N8 O6 Te2 -","2","1","","Xiong, Yun; Yao, Shenglai; Karni, Miriam; Kostenko, Arseni; Burchert, Alexander; Apeloig, Yitzhak; Driess, Matthias","Heavier congeners of CO and CO2as ligands: from zero-valent germanium (‘germylone’) to isolable monomeric GeX and GeX2complexes (X = S, Se, Te)","Chem. Sci.","2016","7","8","5462","","10.1039/C6SC01839D","","","1.54184","CuKα","","0.0623","0.056","","","0.1475","0.1531","","","","","","1.086","","","","has coordinates,has disorder","185164","2020-10-21","18:00:00",""
"1543301","12.532","0.0001","18.8855","0.0001","16.0769","0.0001","90","","90.091","0.001","90","","3804.96","0.04","150","2","150","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C33 H43 Cl3 Ga Ge N5 Se -","- C33 H43 Cl3 Ga Ge N5 Se -","- C132 H172 Cl12 Ga4 Ge4 N20 Se4 -","4","1","","Xiong, Yun; Yao, Shenglai; Karni, Miriam; Kostenko, Arseni; Burchert, Alexander; Apeloig, Yitzhak; Driess, Matthias","Heavier congeners of CO and CO2as ligands: from zero-valent germanium (‘germylone’) to isolable monomeric GeX and GeX2complexes (X = S, Se, Te)","Chem. Sci.","2016","7","8","5462","","10.1039/C6SC01839D","","","1.54184","CuKα","","0.0381","0.0373","","","0.0995","0.1002","","","","","","1.07","","","","has coordinates","185164","2020-10-21","18:00:00",""
"1543302","16.323","0.0002","21.5944","0.0003","7.6252","0.0001","90","","109.772","0.001","90","","2529.32","0.06","150","2","150","2","","","","","","","","8","C 1 m 1","C -2y","8","","","","- C39 H56 Cl3 Ga Ge N4 O2 S2 -","- C39 H56 Cl3 Ga Ge N4 O2 S2 -","- C78 H112 Cl6 Ga2 Ge2 N8 O4 S4 -","2","0.5","","Xiong, Yun; Yao, Shenglai; Karni, Miriam; Kostenko, Arseni; Burchert, Alexander; Apeloig, Yitzhak; Driess, Matthias","Heavier congeners of CO and CO2as ligands: from zero-valent germanium (‘germylone’) to isolable monomeric GeX and GeX2complexes (X = S, Se, Te)","Chem. Sci.","2016","7","8","5462","","10.1039/C6SC01839D","","","1.54184","CuKα","","0.0435","0.0423","","","0.1193","0.1207","","","","","","1.123","","","","has coordinates","185164","2020-10-21","18:00:00",""
"1543303","29.8039","0.0012","9.4923","0.0004","22.1375","0.0009","90","","120.796","0.002","90","","5379.8","0.4","100","2","100","1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C25 H18 Cl3 N3 O8 -","- C25 H18 Cl3 N3 O8 -","- C200 H144 Cl24 N24 O64 -","8","1","","Barros, Stephanie A.; Yoon, Ina; Suh, Sung-Eun; Chenoweth, David M.","Bridgehead-Substituted Triptycenes for Discovery of Nucleic Acid Junction Binders.","Organic letters","2016","18","10","2423","2426","10.1021/acs.orglett.6b00945","","","0.71073","MoKα","","0.04","0.0335","","","0.0855","0.0897","","","","","","1.039","","","","has coordinates","184955","2020-10-21","18:00:00",""
"1543304","13.6534","0.0003","6.92272","0.00014","18.544","0.0004","90","","90","","90","","1752.75","0.06","93","","93","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C10 H12 N2 O -","- C10 H12 N2 O -","- C80 H96 N16 O8 -","8","1","","Arteaga, Fernando Arteaga; Liu, Zijian; Brewitz, Lennart; Chen, Jianyang; Sun, Bo; Kumagai, Naoya; Shibasaki, Masakatsu","Direct Catalytic Asymmetric Mannich-Type Reaction of Alkylamides.","Organic letters","2016","18","10","2391","2394","10.1021/acs.orglett.6b00879","","","1.54187","CuKα","","0.0566","0.0524","","","0.1149","0.1174","","","","","","1.135","","","","has coordinates","194547","2020-10-21","18:00:00",""
"1543305","6.3014","","11.7426","","15.4771","","90","","100.561","","90","","1125.82","","93","","93","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C12 H16 N2 O -","- C12 H16 N2 O -","- C48 H64 N8 O4 -","4","1","","Arteaga, Fernando Arteaga; Liu, Zijian; Brewitz, Lennart; Chen, Jianyang; Sun, Bo; Kumagai, Naoya; Shibasaki, Masakatsu","Direct Catalytic Asymmetric Mannich-Type Reaction of Alkylamides.","Organic letters","2016","18","10","2391","2394","10.1021/acs.orglett.6b00879","","","1.54187","CuKα","","0.0477","0.0431","","","0.112","0.1148","","","","","","1.081","","","","has coordinates,has disorder","184961","2020-10-21","18:00:00",""
"1543306","9.3255","0.0002","10.2652","0.0002","20.1671","0.0004","90","","90","","90","","1930.56","0.07","93","","93","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C22 H27 N3 O3 -","- C22 H27 N3 O3 -","- C88 H108 N12 O12 -","4","1","","Arteaga, Fernando Arteaga; Liu, Zijian; Brewitz, Lennart; Chen, Jianyang; Sun, Bo; Kumagai, Naoya; Shibasaki, Masakatsu","Direct Catalytic Asymmetric Mannich-Type Reaction of Alkylamides.","Organic letters","2016","18","10","2391","2394","10.1021/acs.orglett.6b00879","","","1.54187","CuKα","","0.0298","0.0291","","","0.0752","0.0756","","","","","","1.071","","","","has coordinates","184961","2020-10-21","18:00:00",""
"1543307","7.0381","0.0002","13.3229","0.0004","8.7353","0.0003","90","","112.215","0.008","90","","758.29","0.06","93","","93","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C9 H10 N2 O -","- C9 H10 N2 O -","- C36 H40 N8 O4 -","4","1","","Arteaga, Fernando Arteaga; Liu, Zijian; Brewitz, Lennart; Chen, Jianyang; Sun, Bo; Kumagai, Naoya; Shibasaki, Masakatsu","Direct Catalytic Asymmetric Mannich-Type Reaction of Alkylamides.","Organic letters","2016","18","10","2391","2394","10.1021/acs.orglett.6b00879","","","1.54187","CuKα","","0.1039","0.086","","","0.2235","0.231","","","","","","1.242","","","","has coordinates","184961","2020-10-21","18:00:00",""
"1543308","12.8125","0.0002","15.5638","0.0003","16.7344","0.0003","90","","110.994","0.008","90","","3115.51","0.19","93","","93","","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C61 H58 Cu F6 N2 O P3 -","- C61 H58 Cu F6 N2 O P3 -","- C122 H116 Cu2 F12 N4 O2 P6 -","2","1","","Arteaga, Fernando Arteaga; Liu, Zijian; Brewitz, Lennart; Chen, Jianyang; Sun, Bo; Kumagai, Naoya; Shibasaki, Masakatsu","Direct Catalytic Asymmetric Mannich-Type Reaction of Alkylamides.","Organic letters","2016","18","10","2391","2394","10.1021/acs.orglett.6b00879","","","1.54187","CuKα","","0.0721","0.0621","","","0.1567","0.1649","","","","","","1.069","","","","has coordinates","184961","2020-10-21","18:00:00",""
"1543309","9.11599","0.00016","13.3173","0.0002","34.5039","0.0006","90","","90","","90","","4188.79","0.12","93","","93","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C22 H26 F N3 O3 -","- C22 H26 F N3 O3 -","- C176 H208 F8 N24 O24 -","8","2","","Arteaga, Fernando Arteaga; Liu, Zijian; Brewitz, Lennart; Chen, Jianyang; Sun, Bo; Kumagai, Naoya; Shibasaki, Masakatsu","Direct Catalytic Asymmetric Mannich-Type Reaction of Alkylamides.","Organic letters","2016","18","10","2391","2394","10.1021/acs.orglett.6b00879","","","1.54187","CuKα","","0.051","0.041","","","0.0876","0.0938","","","","","","0.971","","","","has coordinates","184961","2020-10-21","18:00:00",""
"1543310","19.0396","0.0003","20.9444","0.0003","20.8471","0.0004","90","","93.561","0.002","90","","8297.2","0.2","180","2","180","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C42.75 H27.5 Dy N12 Na O5.25 -","- C42.75 H27.5 Dy N12 Na O5.25 -","- C342 H220 Dy8 N96 Na8 O42 -","8","2","","Bi, Ye; Chen, Cheng; Zhao, Yi-Fang; Zhang, Yi-Quan; Jiang, Shang-Da; Wang, Bing-Wu; Han, Jun-Bo; Sun, Jun-Liang; Bian, Zu-Qiang; Wang, Zhe-Ming; Gao, Song","Thermostability and photoluminescence of Dy(iii) single-molecule magnets under a magnetic field","Chem. Sci.","2016","7","8","5020","","10.1039/C6SC01157H","","","0.71073","MoKα","","0.0677","0.0343","","","0.0692","0.0839","","","","","","1.046","","","","has coordinates,has disorder","282761","2023-04-20","06:45:56",""
"1543311","12.3164","0.0002","14.0599","0.0003","14.9899","0.0003","85.328","0.002","68.185","0.002","84.879","0.002","2396.98","0.09","180","2","180","2","","","","","","","","6","P -1","-P 1","2","","","","- C47 H40 Dy K N12 O7 -","- C47 H40 Dy K N12 O7 -","- C94 H80 Dy2 K2 N24 O14 -","2","1","","Bi, Ye; Chen, Cheng; Zhao, Yi-Fang; Zhang, Yi-Quan; Jiang, Shang-Da; Wang, Bing-Wu; Han, Jun-Bo; Sun, Jun-Liang; Bian, Zu-Qiang; Wang, Zhe-Ming; Gao, Song","Thermostability and photoluminescence of Dy(iii) single-molecule magnets under a magnetic field","Chem. Sci.","2016","7","8","5020","","10.1039/C6SC01157H","","","0.71073","MoKα","","0.034","0.0269","","","0.0575","0.0609","","","","","","1.05","","","","has coordinates,has disorder","185153","2020-10-21","18:00:00",""
"1543312","12.1604","0.0004","14.3443","0.0005","14.978","0.0004","83.549","0.003","68.8","0.003","83.086","0.003","2411.43","0.14","180","2","180","2","","","","","","","","6","P -1","-P 1","2","","","","- C47 H40 Dy N12 O7 Rb -","- C47 H40 Dy N12 O7 Rb -","- C94 H80 Dy2 N24 O14 Rb2 -","2","1","","Bi, Ye; Chen, Cheng; Zhao, Yi-Fang; Zhang, Yi-Quan; Jiang, Shang-Da; Wang, Bing-Wu; Han, Jun-Bo; Sun, Jun-Liang; Bian, Zu-Qiang; Wang, Zhe-Ming; Gao, Song","Thermostability and photoluminescence of Dy(iii) single-molecule magnets under a magnetic field","Chem. Sci.","2016","7","8","5020","","10.1039/C6SC01157H","","","0.71073","MoKα","","0.0483","0.0388","","","0.0933","0.1016","","","","","","1.042","","","","has coordinates,has disorder","185153","2020-10-21","18:00:00",""
"1543313","12.1005","0.0005","14.5976","0.0006","14.9807","0.0006","82.535","0.004","69.08","0.004","81.967","0.003","2438.3","0.18","180","2","180","2","","","","","","","","6","P -1","-P 1","2","","","","- C47 H40 Cs Dy N12 O7 -","- C47 H40 Cs Dy N12 O7 -","- C94 H80 Cs2 Dy2 N24 O14 -","2","1","","Bi, Ye; Chen, Cheng; Zhao, Yi-Fang; Zhang, Yi-Quan; Jiang, Shang-Da; Wang, Bing-Wu; Han, Jun-Bo; Sun, Jun-Liang; Bian, Zu-Qiang; Wang, Zhe-Ming; Gao, Song","Thermostability and photoluminescence of Dy(iii) single-molecule magnets under a magnetic field","Chem. Sci.","2016","7","8","5020","","10.1039/C6SC01157H","","","0.71073","MoKα","","0.0509","0.035","","","0.0817","0.0954","","","","","","0.994","","","","has coordinates,has disorder","185153","2020-10-21","18:00:00",""
"1543314","19.5421","0.0004","19.8322","0.0004","20.8863","0.0004","90","","97.266","0.002","90","","8029.8","0.3","180","2","180","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C80 H49 Cs2 Dy2 N24 O8.5 -","- C80 H49 Cs2 Dy2 N24 O8.5 -","- C320 H196 Cs8 Dy8 N96 O34 -","4","1","","Bi, Ye; Chen, Cheng; Zhao, Yi-Fang; Zhang, Yi-Quan; Jiang, Shang-Da; Wang, Bing-Wu; Han, Jun-Bo; Sun, Jun-Liang; Bian, Zu-Qiang; Wang, Zhe-Ming; Gao, Song","Thermostability and photoluminescence of Dy(iii) single-molecule magnets under a magnetic field","Chem. Sci.","2016","7","8","5020","","10.1039/C6SC01157H","","","1.54178","CuKα","","0.0554","0.0426","","","0.1084","0.1177","","","","","","1.016","","","","has coordinates","185153","2020-10-21","18:00:00",""
"1543315","17.503","0.0017","10.588","0.001","36.844","0.003","90","","90","","90","","6828","1.1","150","2","150","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C38 H33 B Fe N6 O3 -","- C38 H33 B Fe N6 O3 -","- C304 H264 B8 Fe8 N48 O24 -","8","1","","Sheet, Debobrata; Paine, Tapan Kanti","Aerobic alcohol oxidation and oxygen atom transfer reactions catalyzed by a nonheme iron(ii)‒α-keto acid complex","Chem. Sci.","2016","7","8","5322","","10.1039/C6SC01476C","","","0.71073","MoKα","","0.0709","0.0472","","","0.1405","0.1576","","","","","","1.045","","","","has coordinates","185158","2020-10-21","18:00:00",""
"1543316","12.6392","0.0006","12.6903","0.0006","16.0016","0.0007","67.251","0.001","75.265","0.001","79.591","0.001","2279.31","0.18","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C47 H42 B Fe N8 O2 -","- C47 H42 B Fe N8 O2 -","- C94 H84 B2 Fe2 N16 O4 -","2","1","","Sheet, Debobrata; Paine, Tapan Kanti","Aerobic alcohol oxidation and oxygen atom transfer reactions catalyzed by a nonheme iron(ii)‒α-keto acid complex","Chem. Sci.","2016","7","8","5322","","10.1039/C6SC01476C","","","0.71073","MoKα","","0.0438","0.0378","","","0.1167","0.1211","","","","","","1.11","","","","has coordinates","185158","2020-10-21","18:00:00",""
"1543317","11.3141","0.0002","13.0066","0.0003","13.3059","0.0003","107.027","0.0007","97.7315","0.0007","113.173","0.0007","1650.25","0.06","123","","123","","","","","","","","","6","P 1","P 1","1","","","","- C24 H19 Br N2 O2 S -","- C24 H19 Br N2 O2 S -","- C72 H57 Br3 N6 O6 S3 -","3","3","","Kikuchi, Jun; Momiyama, Norie; Terada, Masahiro","Chiral Phosphoric Acid Catalyzed Diastereo- and Enantioselective Mannich-Type Reaction between Enamides and Thiazolones.","Organic letters","2016","18","11","2521","2523","10.1021/acs.orglett.6b00857","","","0.71075","MoKα","","0.0532","0.0323","","","0.0701","0.0975","","","","","","1.143","","","","has coordinates","184975","2020-10-21","18:00:00",""
"1543318","11.8931","0.0011","6.5358","0.0006","22.817","0.002","90","","93.239","0.001","90","","1770.8","0.3","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","(2<i>Z</i>)-4-Benzyl-[(4-chlorophenyl)methylidene]-3,4-dihydro-2<i>H</i>-1,4-benzothiazin-3(4<i>H</i>)-one","","- C22 H16 Cl N O S -","- C22 H16 Cl N O S -","- C88 H64 Cl4 N4 O4 S4 -","4","1","TK4010","Ellouz, Mohamed; Sebbar, Nada Kheira; Essassi, El Mokhtar; Ouzidan, Younes; Mague, Joel T.; Zouihri, Hafid","4-Benzyl-2-(4-chlorobenzylidene)-3,4-dihydro-2<i>H</i>-1,4-benzothiazin-3(4<i>H</i>)-one","IUCrData","2016","1","5","x160764","","10.1107/S2414314616007641","","","0.71073","MoKα","","0.0552","0.0437","","","0.1278","0.1321","","","","","","1.12","","","","has coordinates,has Fobs","182949","2020-10-21","18:00:00",""
"1543319","14.6923","0.0008","6.1988","0.0003","16.2254","0.0008","90","","92.911","0.001","90","","1475.82","0.13","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Ethyl 2-(6-bromo-2-phenyl-1<i>H</i>-imidazo[4,5-<i>b</i>]pyridin-1-yl)acetate","","- C16 H14 Br N3 O2 -","- C16 H14 Br N3 O2 -","- C64 H56 Br4 N12 O8 -","4","1","BT4010","Hjouji, Mohammed Yassin; Kandri Rodi, Youssef; Mague, Joel T.; Ouzidan, Younes; Essassi, El Mokhtar; Zouihri, Hafid","Ethyl 2-(6-bromo-2-phenyl-1<i>H</i>-imidazo[4,5-<i>b</i>]pyridin-1-yl)acetate","IUCrData","2016","1","5","x160771","","10.1107/S2414314616007719","","","0.71073","MoKα","","0.0414","0.0307","","","0.0781","0.0814","","","","","","1.064","","","","has coordinates,has Fobs","182950","2020-10-21","18:00:00",""
"1543320","12.1163","0.0002","9.7911","0.0002","20.9428","0.0004","90","","90","","90","","2484.48","0.08","150","2","150","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","6-Bromo-2-(4-chlorophenyl)-3-methyl-3<i>H</i>-imidazo[4,5-<i>b</i>]pyridine","","- C13 H9 Br Cl N3 -","- C13 H9 Br Cl N3 -","- C104 H72 Br8 Cl8 N24 -","8","1","BT4009","Bourichi, Selma; Kandri Rodi, Youssef; Ouzidan, Younes; Mague, Joel T.; Essassi, El Mokhtar; Zouihri, Hafid","6-Bromo-2-(4-chlorophenyl)-3-methyl-3<i>H</i>-imidazo[4,5-<i>b</i>]pyridine","IUCrData","2016","1","5","x160763","","10.1107/S241431461600763X","","","1.54178","CuKα","","0.0319","0.0261","","","0.0661","0.0694","","","","","","1.026","","","","has coordinates,has Fobs","182951","2020-10-21","18:00:00",""
"1543321","12.1726","0.001","7.9214","0.0006","12.7226","0.001","90","","112.682","0.005","90","","1131.89","0.16","296","2","296","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C5 H14 B10 -","- C5 H14 B10 -","- C20 H56 B40 -","4","1","","Quan, Yangjian; Tang, Cen; Xie, Zuowei","Palladium catalyzed regioselective B‒C(sp) coupling via direct cage B‒H activation: synthesis of B(4)-alkynylated o-carboranes","Chem. Sci.","2016","7","9","5838","","10.1039/C6SC00901H","","","0.71073","MoKα","","0.1485","0.1194","","","0.398","0.4253","","","","","","1.679","","","","has coordinates","186329","2020-10-21","18:00:00",""
"1543322","6.818","0.0007","13.8572","0.0013","11.6193","0.0012","90","","91.186","0.007","90","","1097.54","0.19","296","2","296","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C10 H26 B20 -","- C10 H26 B20 -","- C20 H52 B40 -","2","0.5","","Quan, Yangjian; Tang, Cen; Xie, Zuowei","Palladium catalyzed regioselective B‒C(sp) coupling via direct cage B‒H activation: synthesis of B(4)-alkynylated o-carboranes","Chem. Sci.","2016","7","9","5838","","10.1039/C6SC00901H","","","0.71073","MoKα","","0.1478","0.0838","","","0.2401","0.2737","","","","","","1.05","","","","has coordinates","186329","2020-10-21","18:00:00",""
"1543323","16.4051","0.0005","17.4587","0.0005","29.8313","0.0008","84.336","0.002","81.254","0.002","71.749","0.002","8008","0.4","100","","100","","","","","","","","","7","P -1","-P 1","2","","","","- C96 H88 B8 Co4 Fe4 K N68 -","- C96 H88 B8 Co4 Fe4 K N68 -","- C192 H176 B16 Co8 Fe8 K2 N136 -","2","1","","Garnier, D.; Jiménez, J.-R.; Li, Y.; von Bardeleben, J.; Journaux, Y.; Augenstein, T.; Moos, E. M. B.; Gamer, M. T.; Breher, F.; Lescouëzec, R.","K⊂{[FeII(Tp)(CN)3]4[CoIII(pzTp)]3[CoII(pzTp)]}: a neutral soluble model complex of photomagnetic Prussian blue analogues","Chem. Sci.","2016","7","8","4825","","10.1039/C6SC01435F","","","0.71073","MoKα","","0.0868","0.0527","","","0.1132","0.1243","","","","","","0.86","","","","has coordinates,has disorder","185154","2020-10-21","18:00:00",""
"1543324","9.5254","0.0003","12.2658","0.0005","24.0109","0.0007","90","","90","","90","","2805.35","0.17","223","2","223","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C36 H10 F10 S2 -","- C36 H10 F10 S2 -","- C144 H40 F40 S8 -","4","0.5","","Marshall, Jonathan L.; Uchida, Kazuyuki; Frederickson, Conerd K.; Schütt, Christian; Zeidell, Andrew M.; Goetz, Katelyn P.; Finn, Tristan W.; Jarolimek, Karol; Zakharov, Lev N.; Risko, Chad; Herges, Rainer; Jurchescu, Oana D.; Haley, Michael M.","Indacenodibenzothiophenes: synthesis, optoelectronic properties and materials applications of molecules with strong antiaromatic character","Chem. Sci.","2016","7","8","5547","","10.1039/C6SC00950F","","","1.54178","CuKα","","0.048","0.0385","","","0.1152","0.1244","","","","","","1.03","","","","has coordinates","185160","2020-10-21","18:00:00",""
"1543325","11.1062","0.0005","14.1291","0.0006","14.3389","0.0006","70.677","0.002","76.199","0.003","86.76","0.003","2061.4","0.16","223","2","223","2","","","","","","","","4","P -1","-P 1","2","","","","- C36 H10 F10 S2 -","- C36 H10 F10 S2 -","- C108 H30 F30 S6 -","3","1.5","","Marshall, Jonathan L.; Uchida, Kazuyuki; Frederickson, Conerd K.; Schütt, Christian; Zeidell, Andrew M.; Goetz, Katelyn P.; Finn, Tristan W.; Jarolimek, Karol; Zakharov, Lev N.; Risko, Chad; Herges, Rainer; Jurchescu, Oana D.; Haley, Michael M.","Indacenodibenzothiophenes: synthesis, optoelectronic properties and materials applications of molecules with strong antiaromatic character","Chem. Sci.","2016","7","8","5547","","10.1039/C6SC00950F","","","1.54178","CuKα","","0.0579","0.0467","","","0.117","0.1253","","","","","","1.044","","","","has coordinates","185160","2020-10-21","18:00:00",""
"1543326","13.7863","0.0011","37.373","0.003","7.098","0.0006","90","","100.313","0.005","90","","3598.1","0.5","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C44.5 H36.5 Cl1.5 S2 -","- C44.5 H36.5 Cl1.5 S2 -","- C178 H146 Cl6 S8 -","4","1","","Marshall, Jonathan L.; Uchida, Kazuyuki; Frederickson, Conerd K.; Schütt, Christian; Zeidell, Andrew M.; Goetz, Katelyn P.; Finn, Tristan W.; Jarolimek, Karol; Zakharov, Lev N.; Risko, Chad; Herges, Rainer; Jurchescu, Oana D.; Haley, Michael M.","Indacenodibenzothiophenes: synthesis, optoelectronic properties and materials applications of molecules with strong antiaromatic character","Chem. Sci.","2016","7","8","5547","","10.1039/C6SC00950F","","","1.54178","CuKα","","0.1126","0.0737","","","0.1903","0.2203","","","","","","1.031","","","","has coordinates,has disorder","185160","2020-10-21","18:00:00",""
"1543327","8.041","0.003","11.32","0.004","12.549","0.005","106.204","0.011","106.976","0.009","99.176","0.011","1012.3","0.7","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C46 H52 S2 Si2 -","- C46 H52 S2 Si2 -","- C46 H52 S2 Si2 -","1","0.5","","Marshall, Jonathan L.; Uchida, Kazuyuki; Frederickson, Conerd K.; Schütt, Christian; Zeidell, Andrew M.; Goetz, Katelyn P.; Finn, Tristan W.; Jarolimek, Karol; Zakharov, Lev N.; Risko, Chad; Herges, Rainer; Jurchescu, Oana D.; Haley, Michael M.","Indacenodibenzothiophenes: synthesis, optoelectronic properties and materials applications of molecules with strong antiaromatic character","Chem. Sci.","2016","7","8","5547","","10.1039/C6SC00950F","","","0.71073","MoKα","","0.1488","0.0667","","","0.1233","0.146","","","","","","0.985","","","","has coordinates","185160","2020-10-21","18:00:00",""
"1543328","17.5664","0.0003","17.5664","0.0003","44.8654","0.0011","90","","90","","90","","13844.5","0.5","150","2","150","2","","","","","","","","4","I 41/a","-I 4ad","88","","2,3-bis(5-octylthiophen-2-yl)-5,8-di(thiophen-2-yl)quinoxaline","","- C40 H46 N2 S4 -","- C40 H46 N2 S4 -","- C640 H736 N32 S64 -","16","","","Caffy, F.; Delbosc, N.; Chávez, P.; Lévêque, P.; Faure-Vincent, J.; Travers, J.-P.; Djurado, D.; Pécaut, J.; Grévin, B.; Lemaitre, N.; Leclerc, N.; Demadrille, R.","Synthesis, optoelectronic properties and photovoltaic performances of wide band-gap copolymers based on dibenzosilole and quinoxaline units, rivals to P3HT","Polym. Chem.","2016","7","25","4160","","10.1039/C6PY00370B","","","0.71073","MoKα","","0.1014","0.0556","","","0.1151","0.1373","","","","","","1.032","","","","has coordinates,has disorder","185678","2020-10-21","18:00:00",""
"1543329","9.0551","0.0006","10.0299","0.0007","22.0044","0.0012","91.596","0.005","97.865","0.005","105.823","0.006","1900.2","0.2","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","2,2'-(2,3-bis(5-octylthiophen-2-yl)quinoxaline-5,8-diyl)bis(5-bromothiazole)","","- C38 H42 Br2 N4 S4 -","- C38 H42 Br2 N4 S4 -","- C76 H84 Br4 N8 S8 -","2","1","","Caffy, F.; Delbosc, N.; Chávez, P.; Lévêque, P.; Faure-Vincent, J.; Travers, J.-P.; Djurado, D.; Pécaut, J.; Grévin, B.; Lemaitre, N.; Leclerc, N.; Demadrille, R.","Synthesis, optoelectronic properties and photovoltaic performances of wide band-gap copolymers based on dibenzosilole and quinoxaline units, rivals to P3HT","Polym. Chem.","2016","7","25","4160","","10.1039/C6PY00370B","","","0.71073","MoKα","","0.2292","0.087","","","0.1758","0.2507","","","","","","0.999","","","","has coordinates,has disorder","185678","2020-10-21","18:00:00",""
"1543330","16.7687","0.0011","18.2589","0.0012","20.607","0.0012","112.675","0.006","100.139","0.005","92.575","0.005","5686.5","0.7","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","5,8-bis(5-bromothiophen-2-yl)-6,7-difluoro-2,3-bis(5-octylthiophen-2-yl)quinoxaline","","- C40 H42 Br2 F2 N2 S4 -","- C40 H42 Br2 F2 N2 S4 -","- C240 H252 Br12 F12 N12 S24 -","6","3","","Caffy, F.; Delbosc, N.; Chávez, P.; Lévêque, P.; Faure-Vincent, J.; Travers, J.-P.; Djurado, D.; Pécaut, J.; Grévin, B.; Lemaitre, N.; Leclerc, N.; Demadrille, R.","Synthesis, optoelectronic properties and photovoltaic performances of wide band-gap copolymers based on dibenzosilole and quinoxaline units, rivals to P3HT","Polym. Chem.","2016","7","25","4160","","10.1039/C6PY00370B","","","0.71073","MoKα","","0.1857","0.0742","","","0.1218","0.1659","","","","","","0.973","","","","has coordinates","185678","2020-10-21","18:00:00",""
"1543331","7.4088","0.0002","12.5634","0.0003","20.4594","0.0007","90","","90","","90","","1904.36","0.09","150","","150","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C20 H18 Cl N O6 -","- C20 H18 Cl N O6 -","- C80 H72 Cl4 N4 O24 -","4","1","","Danda, Adithi; Kesava-Reddy, Naredla; Golz, Christopher; Strohmann, Carsten; Kumar, Kamal","Asymmetric Roadmap to Diverse Polycyclic Benzopyrans via Phosphine-Catalyzed Enantioselective [4 + 2]-Annulation Reaction","Organic Letters","2016","","","","","10.1021/acs.orglett.6b01030","","x-ray","0.71073","MoKα","","0.0388","0.0331","","","0.072","0.0741","","","","","","1.045","","","","has coordinates","182992","2020-10-21","18:00:00",""
"1543332","8.3536","0.001","13.8716","0.0016","21.444","0.003","90","","90","","90","","2484.9","0.5","170","2","170","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C29 H27 N O4 S -","- C29 H27 N O4 S -","- C116 H108 N4 O16 S4 -","4","1","","Zhang, Yu-Fang; Chen, Diao; Chen, Wen-Wen; Xu, Ming-Hua","Construction of Cyclic Sulfamidates Bearing Two gem-Diaryl Stereocenters through a Rhodium-Catalyzed Stepwise Asymmetric Arylation Protocol.","Organic letters","2016","18","11","2726","2729","10.1021/acs.orglett.6b01183","","","0.71073","MoKα","","0.0588","0.043","","","0.0992","0.109","","","","","","1.037","","","","has coordinates","187971","2020-10-21","18:00:00",""
"1543333","5.6514","0.0016","21.22","0.007","7.381","0.002","90","","96.473","0.017","90","","879.5","0.5","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Benzo[4,5]imidazo[2,1-<i>b</i>]thiazole-2-carbaldehyde","","- C10 H6 N2 O S -","- C10 H6 N2 O S -","- C40 H24 N8 O4 S4 -","4","1","SU4045","Yallur, Basappa; Krishna, P. Murali; Hosamani, Amar A.","Benzo[4,5]imidazo[2,1-<i>b</i>]thiazole-2-carbaldehyde","IUCrData","2016","1","5","x160778","","10.1107/S2414314616007781","","","0.71073","MoKα","","0.1921","0.0581","","","0.1085","0.1504","","","","","","0.911","","","","has coordinates,has Fobs","182999","2020-10-21","18:00:00",""
"1543334","13.2027","0.0005","11.5719","0.0005","18.2672","0.0008","90","","96.299","0.002","90","","2774","0.2","100","2","100","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C64 H66 O12 -","- C64 H66 O12 -","- C128 H132 O24 -","2","1","","Morcillo, Sara P.; Miguel, Delia; Álvarez de Cienfuegos, Luis; Justicia, José; Abbate, Sergio; Castiglioni, Ettore; Bour, Christophe; Ribagorda, María; Cárdenas, Diego J.; Paredes, José Manuel; Crovetto, Luis; Choquesillo-Lazarte, Duane; Mota, Antonio J.; Carreño, M. Carmen; Longhi, Giovanna; Cuerva, Juan M.","Stapled helical o-OPE foldamers as new circularly polarized luminescence emitters based on carbophilic interactions with Ag(i)-sensitivity","Chem. Sci.","2016","7","9","5663","","10.1039/C6SC01808D","","","1.54178","CuKα","","0.0412","0.0358","","","0.0873","0.0915","","","","","","1.055","","","","has coordinates","186339","2020-10-21","18:00:00",""
"1543335","17.138","0.002","9.7525","0.0005","13.831","0.002","90","","134.45","0.03","90","","1650.2","0.9","","","","","","","","","","","","4","P 1","P 1","1","","","","- C18 H17 N O6 -","- C18 H17 N O6 -","- C18 H17 N O6 -","1","1","","Yu, Xuelong; Guo, Qiang; Su, Guozhu; Yang, Ailin; Hu, Zhongdong; Qu, Changhai; Wan, Zhe; Li, Ruoyu; Tu, Pengfei; Chai, Xingyun","Usnic Acid Derivatives with Cytotoxic and Antifungal Activities from the Lichen Usnea longissima.","Journal of natural products","2016","79","5","1373","1380","10.1021/acs.jnatprod.6b00109","","","","","","0.034","","","","","","","","","","","","","","","has coordinates","214153","2020-10-21","18:00:00",""
"1543336","11.6293","0.0002","9.9961","0.0002","16.9428","0.0002","90","","93.84","0.001","90","","1965.14","0.06","","","","","","","","","","","","4","P 1","P 1","1","","","","- C20 H23 N O7 -","- C10 H11.5 N0.5 O3.5 -","- C40 H46 N2 O14 -","4","4","","Yu, Xuelong; Guo, Qiang; Su, Guozhu; Yang, Ailin; Hu, Zhongdong; Qu, Changhai; Wan, Zhe; Li, Ruoyu; Tu, Pengfei; Chai, Xingyun","Usnic Acid Derivatives with Cytotoxic and Antifungal Activities from the Lichen Usnea longissima.","Journal of natural products","2016","79","5","1373","1380","10.1021/acs.jnatprod.6b00109","","","","","","0.034","","","","","","","","","","","","","","","has coordinates","183586","2020-10-21","18:00:00",""
"1543337","5.9943","0.0009","8.2991","0.0014","20.452","0.003","90","","97.16","0.003","90","","1009.5","0.3","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C9 H6 F2 I N O -","- C9 H6 F2 I N O -","- C36 H24 F8 I4 N4 O4 -","4","1","","Miao, Wenjun; Ni, Chuanfa; Zhao, Yanchuan; Hu, Jinbo","Nucleophilic Iododifluoromethylation of Carbonyl Compounds Using Difluoromethyl 2-Pyridyl Sulfone.","Organic letters","2016","18","11","2766","2769","10.1021/acs.orglett.6b01258","","","0.71073","MoKα","","0.0551","0.0465","","","0.1055","0.1105","","","","","","1.028","","","","has coordinates","184976","2020-10-21","18:00:00",""
"1543338","5.4774","0.0011","14.656","0.003","11.788","0.002","90","","103.09","0.03","90","","921.7","0.3","173.15","","173.15","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C23 H17 Br O3 -","- C23 H17 Br O3 -","- C46 H34 Br2 O6 -","2","1","","Zhou, Yong; Zhu, Fu-Lin; Liu, Zhen-Ting; Zhou, Xiao-Mao; Hu, Xiang-Ping","Chiral Ferrocenyl P,N-Ligands for Palladium-Catalyzed Asymmetric Formal [3 + 2] Cycloaddition of Propargylic Esters with β-Ketoesters: Access to Functionalized Chiral 2,3-Dihydrofurans.","Organic letters","2016","18","11","2734","2737","10.1021/acs.orglett.6b01192","","","0.71073","MoKα","","0.0355","0.0336","","","0.0781","0.0793","","","","","","1.087","","","","has coordinates","184978","2020-10-21","18:00:00",""
"1543339","10.678","0.002","10.701","0.002","27.346","0.006","90","","90","","90","","3124.7","1.1","173.15","","173.15","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C35 H38 Fe N3 O P -","- C35 H38 Fe N3 O P -","- C140 H152 Fe4 N12 O4 P4 -","4","1","","Zhou, Yong; Zhu, Fu-Lin; Liu, Zhen-Ting; Zhou, Xiao-Mao; Hu, Xiang-Ping","Chiral Ferrocenyl P,N-Ligands for Palladium-Catalyzed Asymmetric Formal [3 + 2] Cycloaddition of Propargylic Esters with β-Ketoesters: Access to Functionalized Chiral 2,3-Dihydrofurans.","Organic letters","2016","18","11","2734","2737","10.1021/acs.orglett.6b01192","","","0.71073","MoKα","","0.0524","0.0483","","","0.0965","0.0985","","","","","","1.095","","","","has coordinates","184978","2020-10-21","18:00:00",""
"1543340","20.437","0.009","16.874","0.008","7.416","0.004","90","","96.712","0.008","90","","2540","2","273","2","273","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C28 H30 Cl N O Si -","- C28 H30 Cl N O Si -","- C112 H120 Cl4 N4 O4 Si4 -","4","1","","Zhang, Xingjie; Xie, Xin; Liu, Yuanhong","Nickel-catalyzed cyclization of alkyne-nitriles with organoboronic acids involving anti-carbometalation of alkynes","Chem. Sci.","2016","7","9","5815","","10.1039/C6SC01191H","","","0.71073","MoKα","","0.1712","0.1143","","","0.2462","0.276","","","","","","1.133","","","","has coordinates","186342","2020-10-21","18:00:00",""
"1543341","16.297","0.006","17.312","0.007","10.642","0.005","90","","90","","90","","3002","2","130","","130","","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C32 H43 N2 Ni O2 -","- C32 H43 N2 Ni O2 -","- C128 H172 N8 Ni4 O8 -","4","0.5","","Zhang, Xingjie; Xie, Xin; Liu, Yuanhong","Nickel-catalyzed cyclization of alkyne-nitriles with organoboronic acids involving anti-carbometalation of alkynes","Chem. Sci.","2016","7","9","5815","","10.1039/C6SC01191H","","","0.71073","MoKα","","0.1034","0.0679","","","0.1853","0.2274","","","","","","1.018","","","","has coordinates,has disorder","186342","2020-10-21","18:00:00",""
"1543342","11.0395","0.0012","6.4734","0.0007","11.1397","0.0012","90","","98.889","0.001","90","","786.52","0.15","150","2","150","2","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","6-Bromo-2-methyl-1<i>H</i>-imidazo[4,5-<i>b</i>]pyridine","","- C7 H6 Br N3 -","- C7 H6 Br N3 -","- C28 H24 Br4 N12 -","4","1","HB4043","Bouayad, Kaoutar; Kandri Rodi, Youssef; El Ghadraoui, El Houcine; Mague, Joel T.; Essassi, El Mokhtar; Zouihri, Hafid","6-Bromo-2-methyl-1<i>H</i>-imidazo[4,5-<i>b</i>]pyridine","IUCrData","2016","1","5","x160766","","10.1107/S2414314616007665","","","0.71073","MoKα","","0.0524","0.0348","","","0.0842","0.0901","","","","","","0.994","","","","has coordinates,has Fobs","183058","2020-10-21","18:00:00",""
"1543343","25.755","0.007","6.5962","0.0016","14.503","0.004","90","","116.935","0.005","90","","2196.6","1","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","(3,5-Dimethyl-1<i>H</i>-pyrrol-2-yl)(phenyl)methanone","","- C13 H13 N O -","- C13 H13 N O -","- C104 H104 N8 O8 -","8","1","","Wang, Fengzhen; Peng, Songsong; Yue, Mingbo; Zhu, Ruitao","(3,5-Dimethyl-1<i>H</i>-pyrrol-2-yl)(phenyl)methanone","IUCrData","2016","1","5","x160785","","10.1107/S2414314616007859","","","0.71073","MoKα","","0.0818","0.048","","","0.1019","0.1165","","","","","","1.013","","","","has coordinates,has Fobs","183059","2020-10-21","18:00:00",""
"1543344","9.8364","0.0008","5.9731","0.0005","17.0805","0.0015","90","","98.152","0.005","90","","993.4","0.15","295","2","295","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","3-Carboxy-2-(piperidin-1-ium-1-yl)propanoate","","- C9 H15 N O4 -","- C9 H15 N O4 -","- C36 H60 N4 O16 -","4","1","SJ4031","Sudhahar, S.; Sankaranarayanan, K.; Ravi, G.; Kumar, R. Mohan; Chakkaravarthi, G.","3-Carboxy-2-(piperidin-1-ium-1-yl)propanoate","IUCrData","2016","1","5","x160748","","10.1107/S2414314616007483","","","0.71073","MoKα","","0.1042","0.0566","","","0.1381","0.1716","","","","","","1.044","","","","has coordinates,has Fobs","183060","2020-10-21","18:00:00",""
"1543345","6.3283","0.0001","19.6204","0.0004","10.1245","0.0002","90","","105.746","0.001","90","","1209.92","0.04","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","5-Methyl-<i>N</i>'-[(<i>Z</i>)-4-methylbenzylidene]-1<i>H</i>-pyrazole-3-carbohydrazide","","- C13 H14 N4 O -","- C13 H14 N4 O -","- C52 H56 N16 O4 -","4","1","HB4045","Karrouchi, Khalid; Ramli, Youssef; Taoufik, Jamal; Radi, Smaail; Ansar, Mhammed; Mague, Joel T.","5-Methyl-<i>N</i>'-[(<i>Z</i>)-4-methylbenzylidene]-1<i>H</i>-pyrazole-3-carbohydrazide","IUCrData","2016","1","5","x160793","","10.1107/S2414314616007938","","","1.54178","CuKα","","0.0399","0.0355","","","0.0872","0.0909","","","","","","1.049","","","","has coordinates,has Fobs","183061","2020-10-21","18:00:00",""
"1543346","14.5487","0.0009","10.1675","0.0006","10.4269","0.0006","90","","100.104","0.0017","90","","1518.47","0.16","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","4-Methyl-<i>N</i>-(4-methylpyridin-2-yl)-<i>N</i>-(3,4,5,6-tetrahydro-2<i>H</i>-pyran-4-yl)pyridin-2-amine","","- C17 H21 N3 O -","- C17 H21 N3 O -","- C68 H84 N12 O4 -","4","1","","El-Gokha, Ahmed; Schollmeyer, Dieter; Koch, Pierre","4-Methyl-<i>N</i>-(4-methylpyridin-2-yl)-<i>N</i>-(3,4,5,6-tetrahydro-2<i>H</i>-pyran-4-yl)pyridin-2-amine","IUCrData","2016","1","5","x160804","","10.1107/S241431461600804X","","","0.71069","MoKα","","0.0463","0.0418","","","0.1137","0.1216","","","","","","1.045","","","","has coordinates,has Fobs","183062","2020-10-21","18:00:00",""
"1543347","5.83624","0.00017","8.4245","0.0003","17.0381","0.0005","90","","90","","90","","837.72","0.05","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","<i>D</i>-(-)-2-Azaniumyl-2-(4-hydroxyphenyl)acetate","","- C8 H9 N O3 -","- C8 H9 N O3 -","- C32 H36 N4 O12 -","4","1","SJ4032","Zhang, Xiaohui; Yu, Yuzhen; Li, Zhanjun; Li, Wen","<small>D</small>-({-})-2-Azaniumyl-2-(4-hydroxyphenyl)acetate: an orthorhombic polymorph","IUCrData","2016","1","5","x160768","","10.1107/S2414314616007689","","","1.54184","CuKα","","0.0356","0.0333","","","0.0941","0.096","","","","","","1.046","","","","has coordinates,has Fobs","183063","2020-10-21","18:00:00",""
"1543348","7.1355","0.0007","7.4786","0.0008","14.8254","0.0018","99.626","0.009","91.602","0.009","105.02","0.008","751.23","0.15","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","2-Amino-3-((<i>E</i>)-{[3-(trifluoromethyl)phenyl]imino}methyl)-4<i>H</i>-chromen-4-one","","- C17 H11 F3 N2 O2 -","- C17 H11 F3 N2 O2 -","- C34 H22 F6 N4 O4 -","2","1","HB4046","Atalay, Şehriman; Gerçeker, Semra; Meral, Seher; Alaman Ağar, Ayşen","2-Amino-3-((<i>E</i>)-{[3-(trifluoromethyl)phenyl]imino}methyl)-4<i>H</i>-chromen-4-one","IUCrData","2016","1","5","x160797","","10.1107/S2414314616007975","","","0.71073","MoKα","","0.0938","0.0487","","","0.1241","0.1405","","","","","","1","","","","has coordinates,has Fobs","183064","2020-10-21","18:00:00",""
"1543349","4.8428","0.0002","31.7181","0.0014","10.7171","0.0005","90","","101.206","0.002","90","","1614.81","0.12","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","5-Bromo-1-nonylindoline-2,3-dione","","- C17 H22 Br N O2 -","- C17 H22 Br N O2 -","- C68 H88 Br4 N4 O8 -","4","1","SU4049","Kharbach, Yassine; Haoudi, Amal; Capet, Frédéric; Mazzah, Ahmed; El Ammari, Lahcen","5-Bromo-1-nonylindoline-2,3-dione","IUCrData","2016","1","5","x160791","","10.1107/S2414314616007914","","","0.71073","MoKα","","0.0323","0.0262","","","0.0588","0.0608","","","","","","1.103","","","","has coordinates,has Fobs","183065","2020-10-21","18:00:00",""
"1543350","18.0701","0.0008","16.2611","0.0007","9.0801","0.0004","90","","97.645","0.002","90","","2644.4","0.2","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","3',6'-Bis(diethylamino)-2-(prop-2-ynyl)spiro[isoindoline-1,9'-xanthen]-3-one","","- C31 H33 N3 O2 -","- C31 H33 N3 O2 -","- C124 H132 N12 O8 -","4","1","SU4041","Naaz, Y. Aamina; Savithri, Jothinathan Sathiya; Rajakumar, Perumal; SubbiahPandi, A.","3',6'-Bis(diethylamino)-2-(prop-2-ynyl)spiro[isoindoline-1,9'-xanthen]-3-one","IUCrData","2016","1","5","x160772","","10.1107/S2414314616007720","","","0.71073","MoKα","","0.0839","0.0533","","","0.1219","0.1533","","","","","","1.094","","","","has coordinates,has disorder,has Fobs","183066","2020-10-21","18:00:00",""
"1543351","19.2938","0.0015","7.8839","0.0006","19.6969","0.0017","90","","109.639","0.005","90","","2821.8","0.4","100","","100","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Bis(μ-diethyl sulfide-κ^2^<i>S</i>:<i>S</i>)bis[(biphenyl-2,2'-diyl)platinum(ll)]","","- C32 H36 Pt2 S2 -","- C32 H36 Pt2 S2 -","- C128 H144 Pt8 S8 -","4","1","ZL4008","Rillema, D. Paul; Moore, Curtis; Jehan, Ali","Bis(μ-diethyl sulfide-κ^2^<i>S</i>:<i>S</i>)bis[(biphenyl-2,2'-diyl)platinum(ll)]","IUCrData","2016","1","5","x160789","","10.1107/S2414314616007896","","","0.71073","MoKα","","0.0456","0.0333","","","0.0633","0.0664","","","","","","1.097","","","","has coordinates,has Fobs","183067","2020-10-21","18:00:00",""
"1543352","8.9998","0.0008","9.0314","0.0006","10.2747","0.0005","67.15","0.02","72.45","0.03","82.91","0.03","733.76","0.18","293","2","293.15","","","","","","","","","5","P -1","-P 1","2","","Ethyl 2-(3,5-difluorophenyl)quinoline-4-carboxylate","","- C18 H13 F2 N O2 -","- C18 H13 F2 N O2 -","- C36 H26 F4 N2 O4 -","2","1","SJ4012","Shashidhar Bharadwaj, S.; Kumara, Karthik; Poojary, Boja; Yathirajan, H. S.; Byrappa, K.; Lokanath, N. K.; Madan Kumar, S.","Ethyl 2-(3,5-difluorophenyl)quinoline-4-carboxylate: a second triclinic polymorph","IUCrData","2016","1","5","x160739","","10.1107/S2414314616007392","","","0.71073","MoKα","","0.0837","0.0578","","","0.1528","0.1723","","","","","","1.046","","","","has coordinates,has Fobs","183068","2020-10-21","18:00:00",""
"1543353","19.9984","0.0008","22.3102","0.0009","22.5607","0.0009","90","","90","","90","","10065.9","0.7","110","2","110","2","","","","","","","","5","I 2 2 2","I 2 2","23","","T2","","- C120 H204 N84 O47.5 Pd12 -","- C120 H204 N84 O47.4 Pd12 -","- C240 H408 N168 O94.8 Pd24 -","2","0.25","","Howlader, Prodip; Mukherjee, Partha Sarathi","Face and edge directed self-assembly of Pd12tetrahedral nano-cages and their self-sorting","Chem. Sci.","2016","7","9","5893","","10.1039/C6SC02012G","","","0.71073","MoKα","","0.047","0.0433","","","0.1124","0.1144","","","","","","1.066","","","","has coordinates","186328","2020-10-21","18:00:00",""
"1543354","18.5319","0.0014","22.2301","0.0018","28.691","0.002","90","","95.243","0.002","90","","11770.3","1.5","110","2","110","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C60 H108 N42 O22 Pd6 -","- C60 H108 N42 O22 Pd6 -","- C240 H432 N168 O88 Pd24 -","4","1","","Howlader, Prodip; Mukherjee, Partha Sarathi","Face and edge directed self-assembly of Pd12tetrahedral nano-cages and their self-sorting","Chem. Sci.","2016","7","9","5893","","10.1039/C6SC02012G","","","0.71073","MoKα","","0.087","0.0788","","","0.2335","0.2452","","","","","","0.998","","","","has coordinates","186328","2020-10-21","18:00:00",""
"1543355","30.6898","0.0018","24.2224","0.0015","33.083","0.002","90","","96.418","0.002","90","","24439","3","110","2","110","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","T1","","- C120 H208 N78 O52 Pd12 -","- C120 H208 N78 O52 Pd12 -","- C480 H832 N312 O208 Pd48 -","4","0.5","","Howlader, Prodip; Mukherjee, Partha Sarathi","Face and edge directed self-assembly of Pd12tetrahedral nano-cages and their self-sorting","Chem. Sci.","2016","7","9","5893","","10.1039/C6SC02012G","","","0.71073","MoKα","","0.1259","0.0804","","","0.2155","0.25","","","","","","0.783","","","","has coordinates","186328","2020-10-21","18:00:00",""
"1543356","5.105","0.0001","9.985","0.0002","11.8359","0.0002","65.909","0.001","85.15","0.001","82.591","0.001","545.829","0.018","173","2","173","2","","","","","","","","3","P 1","P 1","1","YA375-F1","YA375-F1","","- C29 H22 O4 -","- C29 H22 O4 -","- C29 H22 O4 -","1","1","","Aida, Yukimasa; Sugiyama, Haruki; Uekusa, Hidehiro; Shibata, Yu; Tanaka, Ken","Rhodium-Catalyzed Asymmetric [2 + 2 + 2] Cycloaddition of α,ω-Diynes with Unsymmetrical 1,2-Disubstituted Alkenes.","Organic letters","2016","18","11","2672","2675","10.1021/acs.orglett.6b01116","","","1.54186","CuKα","","0.044","0.0406","","","0.1047","0.121","","","","","","1.222","","","","has coordinates","184974","2020-10-21","18:00:00",""
"1543357","8.0454","0.0005","9.1035","0.0005","11.6624","0.0008","91.647","0.002","96.901","0.002","93.582","0.002","845.76","0.09","147","2","147","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H14 I N3 S -","- C18 H14 I N3 S -","- C36 H28 I2 N6 S2 -","2","1","","Yamamoto, Kosuke; Bruun, Theodora; Kim, Jung Yun; Zhang, Lei; Lautens, Mark","A New Multicomponent Multicatalyst Reaction (MC)(2)R: Chemoselective Cycloaddition and Latent Catalyst Activation for the Synthesis of Fully Substituted 1,2,3-Triazoles.","Organic letters","2016","18","11","2644","2647","10.1021/acs.orglett.6b00975","","","0.71073","MoKα","","0.0195","0.0153","","","0.0324","0.0335","","","","","","1.025","","","","has coordinates","184977","2020-10-21","18:00:00",""
"1543358","6.677","0.0003","14.801","0.0008","15.5028","0.0008","90","","90","","90","","1532.08","0.13","119.2","","119.2","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C15 H24 O4 -","- C15 H24 O4 -","- C60 H96 O16 -","4","1","","Xu, Kuo; Jiang, Jian-Shuang; Feng, Zi-Ming; Yang, Ya-Nan; Li, Li; Zang, Cai-Xia; Zhang, Pei-Cheng","Bioactive Sesquiterpenoid and Polyacetylene Glycosides from Atractylodes lancea.","Journal of natural products","2016","79","6","1567","1575","10.1021/acs.jnatprod.6b00066","","","1.5418","CuKα","","0.0452","0.0398","","","0.0968","0.1017","","","","","","1.03","","","","has coordinates","184935","2020-10-21","18:00:00",""
"1543359","9.3889","0.0011","11.6277","0.0014","16.0269","0.0018","90","","96.069","0.004","90","","1739.9","0.4","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C20 H25 N O2 -","- C20 H25 N O2 -","- C80 H100 N4 O8 -","4","2","","Fernández-Pérez, Héctor; Lao, Joan R.; Vidal-Ferran, Anton","Stereoselective Rh-Catalyzed Hydrogenative Desymmetrization of Achiral Substituted 1,4-Dienes.","Organic letters","2016","18","12","2836","2839","10.1021/acs.orglett.6b01088","","","0.71073","MoKα","","0.1277","0.0903","","","0.2405","0.2703","","","","","","1.035","","","","has coordinates","184962","2020-10-21","18:00:00",""
"1543360","5.87215","0.00015","17.2976","0.0004","17.9057","0.0005","90","","90","","90","","1818.76","0.08","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C21 H24 O4 -","- C21 H24 O4 -","- C84 H96 O16 -","4","1","","Manaviazar, Soraya; Nockemann, Peter; Hale, Karl J.","Total Synthesis of the GRP78-Downregulatory Macrolide (+)-Prunustatin A, the Immunosuppressant (+)-SW-163A, and a JBIR-04 Diastereoisomer That Confirms JBIR-04 Has Nonidentical Stereochemistry to (+)-Prunustatin A.","Organic letters","2016","18","12","2902","2905","10.1021/acs.orglett.6b01235","","","1.54184","CuKα","","0.039","0.0376","","","0.0946","0.0961","","","","","","1.044","","","","has coordinates","184966","2020-10-21","18:00:00",""
"1543361","8.246","0.0003","6.3133","0.0003","11.1291","0.0004","90","","97.945","0.004","90","","573.81","0.04","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C13 H16 O3 -","- C13 H16 O3 -","- C26 H32 O6 -","2","1","","Manaviazar, Soraya; Nockemann, Peter; Hale, Karl J.","Total Synthesis of the GRP78-Downregulatory Macrolide (+)-Prunustatin A, the Immunosuppressant (+)-SW-163A, and a JBIR-04 Diastereoisomer That Confirms JBIR-04 Has Nonidentical Stereochemistry to (+)-Prunustatin A.","Organic letters","2016","18","12","2902","2905","10.1021/acs.orglett.6b01235","","","1.54184","CuKα","","0.0372","0.0364","","","0.1026","0.1034","","","","","","1.099","","","","has coordinates","184966","2020-10-21","18:00:00",""
"1543362","27.6917","0.0006","14.8522","0.0002","8.87923","0.00016","90","","90","","90","","3651.87","0.11","292.41","0.1","292.41","0.1","","","","","","","","4","P 21 21 2","P 2 2ab","18","","","","- C33 H43 N O12 -","- C33.5 H43 N O11.56 -","- C134 H172 N4 O46.24 -","4","1","","Manaviazar, Soraya; Nockemann, Peter; Hale, Karl J.","Total Synthesis of the GRP78-Downregulatory Macrolide (+)-Prunustatin A, the Immunosuppressant (+)-SW-163A, and a JBIR-04 Diastereoisomer That Confirms JBIR-04 Has Nonidentical Stereochemistry to (+)-Prunustatin A.","Organic letters","2016","18","12","2902","2905","10.1021/acs.orglett.6b01235","","x-ray","1.54184","CuKα","","0.0885","0.0861","","","0.2445","0.2485","","","","","","1.09","","","","has coordinates,has disorder","184966","2020-10-21","18:00:00",""
"1543363","27.6917","0.0006","14.8522","0.0002","8.87923","0.00016","90","","90","","90","","3651.87","0.11","100","","100","","","","","","","","","4","P 21 21 2","P 2 2ab","18","","","","- C31 H43 N O11 -","- C31 H43 N O11 -","- C124 H172 N4 O44 -","4","1","","Manaviazar, Soraya; Nockemann, Peter; Hale, Karl J.","Total Synthesis of the GRP78-Downregulatory Macrolide (+)-Prunustatin A, the Immunosuppressant (+)-SW-163A, and a JBIR-04 Diastereoisomer That Confirms JBIR-04 Has Nonidentical Stereochemistry to (+)-Prunustatin A.","Organic letters","2016","18","12","2902","2905","10.1021/acs.orglett.6b01235","","","1.54184","CuKα","","0.0507","0.0487","","","0.1291","0.131","","","","","","1.088","","","","has coordinates,has disorder","184966","2020-10-21","18:00:00",""
"1543364","48.523","0.01","6.2947","0.0013","20.561","0.004","90","","107.18","0.03","90","","6000","2","200","","200","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C28 H48 O3 Si2 -","- C28 H48 O3 Si2 -","- C224 H384 O24 Si16 -","8","1","","Rullière, Pauline; Grisel, Julien; Poittevin, Clément; Cividino, Pascale; Carret, Sébastien; Poisson, Jean-François","Thermal [2 + 2]-Cycloaddition of Ketenes with Chiral Enol Ethers: Route to Densely Substituted Cyclobutanones.","Organic letters","2016","18","12","2824","2827","10.1021/acs.orglett.6b01058","","x-ray","0.71073","MoKα","","0.0742","0.0435","","","0.1004","0.1173","","","","","","1.081","","","","has coordinates","184968","2020-10-21","18:00:00",""
"1543365","6.66247","0.00009","16.2362","0.0002","16.4824","0.0003","90","","90","","90","","1782.95","0.05","293.7","0.3","293.7","0.3","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C20 H26 O3 -","- C20 H26 O3 -","- C80 H104 O12 -","4","1","","Fei, Dong-Qing; Dong, Le-Le; Qi, Feng-Ming; Fan, Gai-Xia; Li, Hui-Hong; Li, Zheng-Yu; Zhang, Zhan-Xin","Euphorikanin A, a Diterpenoid Lactone with a Fused 5/6/7/3 Ring System from Euphorbia kansui.","Organic letters","2016","18","12","2844","2847","10.1021/acs.orglett.6b01093","","","1.5418","CuKα","","0.0447","0.0426","","","0.1128","0.1163","","","","","","1.037","","","","has coordinates","184970","2020-10-21","18:00:00",""
"1543366","7.5805","0.0001","17.2484","0.0002","32.295","0.0004","90","","90","","90","","4222.62","0.09","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C18.5 H22 Cl N O8 -","- C18.5 H22 Cl N O8 -","- C148 H176 Cl8 N8 O64 -","8","1","","Zhou, Qing-Fa; Zhang, Kui; Cai, Lingchao; Kwon, Ohyun","Phosphine-Catalyzed Intramolecular Cyclizations of α-Nitroethylallenoates Forming (Z)-Furanone Oximes.","Organic letters","2016","18","12","2954","2957","10.1021/acs.orglett.6b01299","","","1.54178","CuKα","","0.0724","0.0704","","","0.1837","0.1849","","","","","","1.051","","","","has coordinates,has disorder","184971","2020-10-21","18:00:00",""
"1543367","12.0924","0.0002","7.3293","0.0001","15.1975","0.0002","90","","90","","90","","1346.94","0.03","301","","301","","","","","","","","","4","P n m a","-P 2ac 2n","62","","Octaamminecalcium dichloride","","- Ca Cl2 H24 N8 -","- Ca Cl2 H24 N8 -","- Ca4 Cl8 H96 N32 -","4","0.5","WM4011","Kishida, Yoshihiro; Aoki, Masakazu","Calcium octaammine dichloride","IUCrData","2016","1","5","x160835","","10.1107/S241431461600835X","powder diffraction","","0.99958","synchrotron","","0.0295","","","","","","0.02947","0.03926","1.186","","","","","","","has coordinates,has Fobs","186580","2020-10-21","18:00:00",""
"1543368","14.193","0.003","11.912","0.002","21.253","0.004","90","","93.86","0.03","90","","3585","1.2","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Aqua(4-bromobenzoato-κ<i>O</i>)bis(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')manganese(II) 4-bromobenzoate dihydrate","","- C38 H30 Br2 Mn N4 O7 -","- C38 H30 Br2 Mn N4 O7 -","- C152 H120 Br8 Mn4 N16 O28 -","4","1","","Hu, Ling-Xia; Zhang, Bi-Song","Aqua(4-bromobenzoato-κ<i>O</i>)bis(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')manganese(II) 4-bromobenzoate dihydrate","IUCrData","2016","1","5","x160833","","10.1107/S2414314616008336","","","0.71073","MoKα","","0.1008","0.0555","","","0.1411","0.2049","","","","","","1.128","","","","has coordinates,has disorder,has Fobs","183131","2020-10-21","18:00:00",""
"1543369","6.6872","0.0002","7.9309","0.0002","13.9723","0.0004","82.348","0.002","84.783","0.001","88.71","0.001","731.35","0.04","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","(<i>E</i>)-4-Methoxy-<i>N</i>'-(2,4,5-trifluorobenzylidene)benzohydrazide monohydrate","","- C15 H13 F3 N2 O3 -","- C15 H13 F3 N2 O3 -","- C30 H26 F6 N4 O6 -","2","1","SU4051","Maheswari, R.; Manjula, J.; Gunasekaran, B.; Bakiyaraj, G.","(<i>E</i>)-4-Methoxy-<i>N</i>'-(2,4,5-trifluorobenzylidene)benzohydrazide monohydrate","IUCrData","2016","1","5","x160846","","10.1107/S2414314616008464","","","0.71073","MoKα","","0.0434","0.0364","","","0.104","0.1109","","","","","","1.044","","","","has coordinates,has Fobs","183132","2020-10-21","18:00:00",""
"1543370","9.3566","0.0003","12.1189","0.0004","12.7055","0.0004","94.49","0.002","93.3","0.002","107.554","0.001","1364.39","0.08","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","6b-Hydroxy-17-methyl-15-(3-nitrophenyl)-6b,7,16,17-tetrahydro-7,14a-methanonaphtho[1',8':1,2,3]pyrrolo[3',2':8,8a]azuleno[5,6-<i>b</i>]quinolin-14(15<i>H</i>)-one dichloromethane hemisolvate","","- C34.5 H26 Cl N3 O4 -","- C34.5 H26 Cl N3 O4 -","- C69 H52 Cl2 N6 O8 -","2","1","SU4048","Joseph, J. M.; Viswanathan, Vijayan; Velmurugan, Devadasan","6b-Hydroxy-17-methyl-15-(3-nitrophenyl)-6b,7,16,17-tetrahydro-7,14a-methanonaphtho[1',8':1,2,3]pyrrolo[3',2':8,8a]azuleno[5,6-<i>b</i>]quinolin-14(15<i>H</i>)-one dichloromethane hemisolvate","IUCrData","2016","1","5","x160828","","10.1107/S2414314616008282","","","0.71073","MoKα","","0.0594","0.0517","","","0.1423","0.1507","","","","","","1.03","","","","has coordinates,has Fobs","183133","2020-10-21","18:00:00",""
"1543371","15.1825","0.0008","17.7557","0.0007","26.2236","0.0013","90","","92.283","0.004","90","","7063.6","0.6","193","2","193","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","1-(3',6'-Dihydroxy-3-oxo-3<i>H</i>-spiro[isobenzofuran-1,9'-xanthen]-5-yl)-3-[4-({4-[1-(4-fluorophenyl)-1<i>H</i>-imidazol-5-yl]pyridin-2-yl}amino)phenyl]thiourea; methanol","","- C42 H31 F N6 O6 S -","- C42 H31 F N6 O6 S -","- C336 H248 F8 N48 O48 S8 -","8","1","","Ansideri, Francesco; Schollmeyer, Dieter; Koch, Pierre","1-(3',6'-Dihydroxy-3-oxo-3<i>H</i>-spiro[isobenzofuran-1,9'-xanthen]-5-yl)-3-[4-({4-[1-(4-fluorophenyl)-1<i>H</i>-imidazol-5-yl]pyridin-2-yl}amino)phenyl]thiourea methanol monosolvate","IUCrData","2016","1","5","x160840","","10.1107/S2414314616008403","","","0.71073","MoKα","","0.1938","0.0701","","","0.1618","0.2397","","","","","","0.918","","","","has coordinates,has disorder,has Fobs","183134","2020-10-21","18:00:00",""
"1543372","9.1567","0.0003","10.4987","0.0003","16.4783","0.0004","74.597","0.002","82.414","0.002","81.243","0.002","1502.43","0.08","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C5 H20 S2 Si5 -","- C4.57143 H13.1429 S0.571429 Si2 -","- C32 H92 S4 Si14 -","7","3.5","","Li, Haixing; Garner, Marc H.; Shangguan, Zhichun; Zheng, Qianwen; Su, Timothy A.; Neupane, Madhav; Li, Panpan; Velian, Alexandra; Steigerwald, Michael L.; Xiao, Shengxiong; Nuckolls, Colin; Solomon, Gemma C.; Venkataraman, Latha","Conformations of cyclopentasilane stereoisomers control molecular junction conductance","Chem. Sci.","2016","7","9","5657","","10.1039/C6SC01360K","","","1.54184","CuKα","","0.0986","0.0781","","","0.1947","0.227","","","","","","1.729","","","","has coordinates,has disorder","186332","2020-10-21","18:00:00",""
"1543373","28.678","0.004","9.1487","0.0011","44.801","0.006","90","","98.503","0.005","90","","11625","3","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C117 H86 Au4 Cl2 O4 P4 -","- C117 H86 Au4 Cl2 O4 P4 -","- C468 H344 Au16 Cl8 O16 P16 -","4","0.5","","Kondrasenko, Ilya; Chung, Kun-you; Chen, Yi-Ting; Koivistoinen, Juha; Grachova, Elena V.; Karttunen, Antti J.; Chou, Pi-Tai; Koshevoy, Igor O.","Harnessing Fluorescence versus Phosphorescence Ratio via Ancillary Ligand Fine-Tuned MLCT Contribution","The Journal of Physical Chemistry C","2016","120","22","12196","","10.1021/acs.jpcc.6b03064","","","0.71073","MoKα","","0.0633","0.0418","","","0.0919","0.0986","","","","","","1.012","","","","has coordinates","183593","2020-10-21","18:00:00",""
"1543374","17.548","0.002","8.8135","0.0012","20.148","0.003","90","","106.579","0.004","90","","2986.5","0.7","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C31 H40 Cl2 N2 O3 Ru -","- C31 H40 Cl2 N2 O3 Ru -","- C124 H160 Cl8 N8 O12 Ru4 -","4","1","","Chow, Mun Juinn; Babak, Maria V.; Wong, Daniel Yuan Qiang; Pastorin, Giorgia; Gaiddon, Christian; Ang, Wee Han","Structural Determinants of p53-Independence in Anticancer Ruthenium-Arene Schiff-Base Complexes.","Molecular pharmaceutics","2016","13","7","2543","2554","10.1021/acs.molpharmaceut.6b00348","","","0.71073","MoKα","","0.18","0.0771","","","0.1235","0.1516","","","","","","1.022","","","","has coordinates","184938","2020-10-21","18:00:00",""
"1543375","8.207","0.0003","12.9134","0.0006","15.5705","0.0007","95.336","0.002","104.273","0.002","96.96","0.002","1574.44","0.12","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H33 Cl7 N2 Ru -","- C30 H33 Cl7 N2 Ru -","- C60 H66 Cl14 N4 Ru2 -","2","1","","Chow, Mun Juinn; Babak, Maria V.; Wong, Daniel Yuan Qiang; Pastorin, Giorgia; Gaiddon, Christian; Ang, Wee Han","Structural Determinants of p53-Independence in Anticancer Ruthenium-Arene Schiff-Base Complexes.","Molecular pharmaceutics","2016","13","7","2543","2554","10.1021/acs.molpharmaceut.6b00348","","","0.71073","MoKα","","0.0836","0.052","","","0.1042","0.1139","","","","","","1.047","","","","has coordinates,has disorder","184938","2020-10-21","18:00:00",""
"1543376","9.4876","0.0004","8.0486","0.0003","16.3501","0.0007","90","","104.642","0.002","90","","1207.98","0.09","115","2","115","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C31 H26 O P2 -","- C31 H26 O P2 -","- C62 H52 O2 P4 -","2","1","","Bayardon, Jérôme; Rousselin, Yoann; Jugé, Sylvain","Designing P-Chirogenic 1,2-Diphosphinobenzenes at Both P-Centers Using P(III)-Phosphinites","Organic Letters","2016","","","","","10.1021/acs.orglett.6b01275","","x-ray","0.71073","MoKα","","0.0368","0.0354","","","0.0794","0.0808","","","","","","1.045","","","","has coordinates","183190","2020-10-21","18:00:00",""
"1543377","12.391","0.0006","8.0519","0.0004","14.1295","0.0005","90","","107.842","0.002","90","","1341.92","0.11","115","","115","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C34 H28 Fe P2 -","- C34 H28 Fe P2 -","- C68 H56 Fe2 P4 -","2","1","","Bayardon, Jérôme; Rousselin, Yoann; Jugé, Sylvain","Designing P-Chirogenic 1,2-Diphosphinobenzenes at Both P-Centers Using P(III)-Phosphinites","Organic Letters","2016","","","","","10.1021/acs.orglett.6b01275","","x-ray","0.71073","MoKα","","0.0332","0.032","","","0.0702","0.0712","","","","","","1.05","","","","has coordinates,has disorder","183190","2020-10-21","18:00:00",""
"1543378","21.1345","0.0007","7.5878","0.0004","19.4577","0.0008","90","","113.067","0.002","90","","2870.8","0.2","115","2","115","","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C65 H58 Cl2 O4 P4 -","- C65 H58 Cl2 O4 P4 -","- C130 H116 Cl4 O8 P8 -","2","0.5","","Bayardon, Jérôme; Rousselin, Yoann; Jugé, Sylvain","Designing P-Chirogenic 1,2-Diphosphinobenzenes at Both P-Centers Using P(III)-Phosphinites","Organic Letters","2016","","","","","10.1021/acs.orglett.6b01275","","x-ray","0.71073","MoKα","","0.0444","0.0414","","","0.087","0.09","","","","","","1.078","","","","has coordinates","183190","2020-10-21","18:00:00",""
"1543379","14.0554","0.0002","8.4226","0.0001","26.8488","0.0003","90","","121.048","0.001","90","","2723.08","0.07","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C29 H25 B2 Fe N9 -","- C29 H25 B2 Fe N9 -","- C116 H100 B8 Fe4 N36 -","4","1","","Spasyuk, Denis M.; Carpenter, Stephanie H.; Kefalidis, Christos E.; Piers, Warren E.; Neidig, Michael L.; Maron, Laurent","Facile hydrogen atom transfer to iron(III) imido radical complexes supported by a dianionic pentadentate ligand","Chemical Science","2016","7","9","5939","5944","10.1039/c6sc01433j","","","1.54178","CuKα","","0.0355","0.0315","","","0.0802","0.0831","","","","","","1.041","","","","has coordinates","211042","2020-10-21","18:00:00",""
"1543380","8.669","0.0004","12.5893","0.0006","17.1783","0.0007","88.37","0.002","78.459","0.002","73.105","0.003","1756.71","0.14","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C37 H41 B2 Fe N9 O2 -","- C37 H41 B2 Fe N9 O2 -","- C74 H82 B4 Fe2 N18 O4 -","2","1","","Spasyuk, Denis M.; Carpenter, Stephanie H.; Kefalidis, Christos E.; Piers, Warren E.; Neidig, Michael L.; Maron, Laurent","Facile hydrogen atom transfer to iron(III) imido radical complexes supported by a dianionic pentadentate ligand","Chemical Science","2016","7","9","5939","5944","10.1039/c6sc01433j","","","1.54178","CuKα","","0.0416","0.0372","","","0.0967","0.0995","","","","","","1.067","","","","has coordinates","211042","2020-10-21","18:00:00",""
"1543381","16.6523","0.0003","10.1363","0.0002","29.6556","0.0006","90","","90","","90","","5005.65","0.17","293","2","293","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C45 H47 B2 Fe N10 -","- C45 H47 B2 Fe N10 -","- C180 H188 B8 Fe4 N40 -","4","0.5","","Spasyuk, Denis M.; Carpenter, Stephanie H.; Kefalidis, Christos E.; Piers, Warren E.; Neidig, Michael L.; Maron, Laurent","Facile hydrogen atom transfer to iron(III) imido radical complexes supported by a dianionic pentadentate ligand","Chemical Science","2016","7","9","5939","5944","10.1039/c6sc01433j","","","1.54178","CuKα","","0.0465","0.0436","","","0.1158","0.1176","","","","","","1.04","","","","has coordinates,has disorder","211042","2020-10-21","18:00:00",""
"1543382","25.518","0.004","9.9742","0.0014","13.8788","0.0019","90","","90","","90","","3532.5","0.9","173","2","173","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C39 H39 B2 Fe N10 -","- C39 H39 B2 Fe N10 -","- C156 H156 B8 Fe4 N40 -","4","0.5","","Spasyuk, Denis M.; Carpenter, Stephanie H.; Kefalidis, Christos E.; Piers, Warren E.; Neidig, Michael L.; Maron, Laurent","Facile hydrogen atom transfer to iron(III) imido radical complexes supported by a dianionic pentadentate ligand","Chemical Science","2016","7","9","5939","5944","10.1039/c6sc01433j","","","1.54178","CuKα","","0.0686","0.0482","","","0.1218","0.1329","","","","","","1.028","","","","has coordinates","211042","2020-10-21","18:00:00",""
"1543383","13.5661","0.0012","16.623","0.0014","19.6115","0.0017","68.407","0.003","83.226","0.003","68.207","0.003","3817.4","0.6","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C74 H69 B4 Fe2 N19 O2 S -","- C74 H69 B4 Fe2 N19 O2 S -","- C148 H138 B8 Fe4 N38 O4 S2 -","2","1","","Spasyuk, Denis M.; Carpenter, Stephanie H.; Kefalidis, Christos E.; Piers, Warren E.; Neidig, Michael L.; Maron, Laurent","Facile hydrogen atom transfer to iron(III) imido radical complexes supported by a dianionic pentadentate ligand","Chemical Science","2016","7","9","5939","5944","10.1039/c6sc01433j","","","1.54178","CuKα","","0.1121","0.0769","","","0.1918","0.2093","","","","","","0.963","","","","has coordinates,has disorder","211042","2020-10-21","18:00:00",""
"1543384","18.1814","0.0016","21.881","0.003","16.8907","0.0014","90","","102.199","0.006","90","","6567.8","1.2","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","B2Pz4Py","","- C58 H52 B4 Li2 N18 -","- C58 H52 B4 Li2 N18 -","- C232 H208 B16 Li8 N72 -","4","0.5","","Spasyuk, Denis M.; Carpenter, Stephanie H.; Kefalidis, Christos E.; Piers, Warren E.; Neidig, Michael L.; Maron, Laurent","Facile hydrogen atom transfer to iron(III) imido radical complexes supported by a dianionic pentadentate ligand","Chemical Science","2016","7","9","5939","5944","10.1039/c6sc01433j","","","1.54178","CuKα","","0.0722","0.0513","","","0.1341","0.1453","","","","","","0.967","","","","has coordinates","211042","2020-10-21","18:00:00",""
"1543385","9.7337","0.0005","9.8376","0.0008","10.2179","0.0009","65.706","0.008","76.457","0.006","64.524","0.007","803.12","0.12","150","2","150","2","","","","","","","","6","P -1","-P 1","2","alsnphbr","LHBrAlMe3","","- C16 H17 Al Br N S -","- C16 H17 Al Br N S -","- C32 H34 Al2 Br2 N2 S2 -","2","1","","Huang, Yen-Tzu; Wang, Wei-Chu; Hsu, Chun-Pin; Lu, Wei-Yi; Chuang, Wan-Jung; Chiang, Michael Y.; Lai, Yi-Chun; Chen, Hsuan-Ying","The ring-opening polymerization of ε-caprolactone andl-lactide using aluminum complexes bearing benzothiazole ligands as catalysts","Polym. Chem.","2016","7","26","4367","","10.1039/C6PY00569A","","","0.71073","MoKα","","0.0518","0.0385","","","0.0846","0.0908","","","","","","1.023","","","","has coordinates","185677","2020-10-21","18:00:00",""
"1543386","8.4807","0.0005","10.2653","0.0005","11.1798","0.0007","63.422","0.006","72.126","0.006","72.803","0.005","813.96","0.09","150","2","150","2","","","","","","","","5","P -1","-P 1","2","alnsphme","LHMeALMe3","","- C17 H20 Al N S -","- C17 H20 Al N S -","- C34 H40 Al2 N2 S2 -","2","1","","Huang, Yen-Tzu; Wang, Wei-Chu; Hsu, Chun-Pin; Lu, Wei-Yi; Chuang, Wan-Jung; Chiang, Michael Y.; Lai, Yi-Chun; Chen, Hsuan-Ying","The ring-opening polymerization of ε-caprolactone andl-lactide using aluminum complexes bearing benzothiazole ligands as catalysts","Polym. Chem.","2016","7","26","4367","","10.1039/C6PY00569A","","","0.71073","MoKα","","0.0546","0.0437","","","0.1169","0.1238","","","","","","1.038","","","","has coordinates","185677","2020-10-21","18:00:00",""
"1543387","9.7682","0.0005","12.6868","0.0005","16.3518","0.0009","90","","101.613","0.002","90","","1984.95","0.17","200","2","200","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C11 H7 N S2 -","- C11 H7 N S2 -","- C88 H56 N8 S16 -","8","2","","Huang, Yen-Tzu; Wang, Wei-Chu; Hsu, Chun-Pin; Lu, Wei-Yi; Chuang, Wan-Jung; Chiang, Michael Y.; Lai, Yi-Chun; Chen, Hsuan-Ying","The ring-opening polymerization of ε-caprolactone andl-lactide using aluminum complexes bearing benzothiazole ligands as catalysts","Polym. Chem.","2016","7","26","4367","","10.1039/C6PY00569A","","","0.71073","MoKα","","0.1113","0.0981","","","0.2818","0.3022","","","","","","1.005","","","","has coordinates","185677","2020-10-21","18:00:00",""
"1543388","8.2963","0.0003","9.2804","0.0004","10.392","0.0004","87.69","0.002","84.941","0.002","71.092","0.002","753.93","0.05","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H16 Al N S2 -","- C14 H16 Al N S2 -","- C28 H32 Al2 N2 S4 -","2","1","","Huang, Yen-Tzu; Wang, Wei-Chu; Hsu, Chun-Pin; Lu, Wei-Yi; Chuang, Wan-Jung; Chiang, Michael Y.; Lai, Yi-Chun; Chen, Hsuan-Ying","The ring-opening polymerization of ε-caprolactone andl-lactide using aluminum complexes bearing benzothiazole ligands as catalysts","Polym. Chem.","2016","7","26","4367","","10.1039/C6PY00569A","","","0.71073","MoKα","","0.0507","0.0458","","","0.1376","0.1495","","","","","","1.131","","","","has coordinates","185677","2020-10-21","18:00:00",""
"1543389","8.0163","0.0007","5.9409","0.00059","10.63","0.001","90","","108.56","0.0051","90","","479.91","0.08","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C9 H11 N O5 -","- C9 H11 N O5 -","- C18 H22 N2 O10 -","2","1","","Gutiérrez-Jiménez, Marta I; Aydillo, Carlos; Navo, Claudio D.; Avenoza, Alberto; Corzana, Francisco; Jiménez-Osés, Gonzalo; Zurbano, María M; Busto, Jesús H; Peregrina, Jesús M","Bifunctional Chiral Dehydroalanines for Peptide Coupling and Stereoselective S-Michael Addition.","Organic letters","2016","18","12","2796","2799","10.1021/acs.orglett.6b00840","","","0.71073","MoKα","","0.044","0.0367","","","0.0869","0.0919","","","","","","1.041","","","","has coordinates","184967","2020-10-21","18:00:00",""
"1543390","10.6272","0.0008","12.262","0.001","25.592","0.002","90","","90","","90","","3334.9","0.5","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C25 H36 Cl4 N2 O13 S -","- C25 H36 Cl4 N2 O13 S -","- C100 H144 Cl16 N8 O52 S4 -","4","1","","Gutiérrez-Jiménez, Marta I; Aydillo, Carlos; Navo, Claudio D.; Avenoza, Alberto; Corzana, Francisco; Jiménez-Osés, Gonzalo; Zurbano, María M; Busto, Jesús H; Peregrina, Jesús M","Bifunctional Chiral Dehydroalanines for Peptide Coupling and Stereoselective S-Michael Addition.","Organic letters","2016","18","12","2796","2799","10.1021/acs.orglett.6b00840","","x-ray","0.71073","MoKα","","0.05","0.0421","","","0.1019","0.1057","","","","","","1.09","","","","has coordinates","184967","2020-10-21","18:00:00",""
"1543391","10.13364","0.00019","14.6711","0.0002","19.7677","0.0004","90","","90","","90","","2938.9","0.09","99.99","0.1","99.99","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C40 H29 B N2 O2 -","- C40 H29 B N2 O2 -","- C160 H116 B4 N8 O8 -","4","1","","Roose, Jesse; Leung, Anakin Chun Sing; Wang, Jia; Peng, Qian; Sung, Herman H.-Y.; Williams, Ian Duncan; Tang, Ben Zhong","A colour-tunable chiral AIEgen: reversible coordination, enantiomer discrimination and morphology visualization","Chem. Sci.","2016","7","9","6106","","10.1039/C6SC01614F","","x-ray","1.54184","CuKα","","0.0404","0.033","","","0.0791","0.0824","","","","","","1.002","","","","has coordinates","186327","2020-10-21","18:00:00",""
"1543392","14.5322","0.0006","18.0326","0.0006","19.3503","0.0007","90","","94.619","0.004","90","","5054.3","0.3","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C98 H95 Mo4 N13 O15 -","- C98 H95 Mo4 N13 O15 -","- C196 H190 Mo8 N26 O30 -","2","0.5","","Yu, Wei Yong; Meng, Miao; Lei, Hao; He, Xue Dan; Liu, Chun Y.","Optical Determination of Electron Transfer Dynamics and Kinetics for Asymmetrical [Mo2]‒ph‒[Mo2] Systems","The Journal of Physical Chemistry C","2016","120","23","12411","","10.1021/acs.jpcc.6b03792","","","1.54178","CuKα","","0.0682","0.0535","","","0.1207","0.1286","","","","","","1.074","","","","has coordinates,has disorder","183594","2020-10-21","18:00:00",""
"1543393","14.2854","0.0004","17.7654","0.0004","19.3037","0.0003","90","","93.602","0.002","90","","4889.33","0.19","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C98 H96 Mo4 N14 O14 -","- C98 H94 Mo4 N14 O14 -","- C196 H188 Mo8 N28 O28 -","2","0.5","","Yu, Wei Yong; Meng, Miao; Lei, Hao; He, Xue Dan; Liu, Chun Y.","Optical Determination of Electron Transfer Dynamics and Kinetics for Asymmetrical [Mo2]‒ph‒[Mo2] Systems","The Journal of Physical Chemistry C","2016","120","23","12411","","10.1021/acs.jpcc.6b03792","","","1.54178","CuKα","","0.0625","0.0523","","","0.139","0.1462","","","","","","1.044","","","","has coordinates,has disorder","183594","2020-10-21","18:00:00",""
"1543394","14.4182","0.0005","17.6154","0.0006","19.5327","0.0005","90","","94.294","0.003","90","","4947","0.3","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C99.6 H100.2 Cl3.2 Mo4 N15 O13 -","- C99.6 H96.2 Cl3.2 Mo4 N15 O13 -","- C199.2 H192.4 Cl6.4 Mo8 N30 O26 -","2","0.5","","Yu, Wei Yong; Meng, Miao; Lei, Hao; He, Xue Dan; Liu, Chun Y.","Optical Determination of Electron Transfer Dynamics and Kinetics for Asymmetrical [Mo2]‒ph‒[Mo2] Systems","The Journal of Physical Chemistry C","2016","120","23","12411","","10.1021/acs.jpcc.6b03792","","","1.54178","CuKα","","0.0912","0.0518","","","0.1183","0.142","","","","","","0.998","","","","has coordinates,has disorder","183594","2020-10-21","18:00:00",""
"1543395","10.019","0.003","9.396","0.002","19.802","0.005","90","0.013","112.805","0.016","90","0.012","1718.4","0.8","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C17 H20 F3 N O3 -","- C17 H20 F3 N O3 -","- C68 H80 F12 N4 O12 -","4","1","","Cheng, Cungui; Liu, Shuiyou; Lu, Danyang; Zhu, Gangguo","Copper-Catalyzed Trifluoromethylation of Alkenes with Redox-Neutral Remote Amidation of Aldehydes.","Organic letters","2016","18","12","2852","2855","10.1021/acs.orglett.6b01113","","","0.71073","MoKα","","0.1894","0.104","","","0.3276","0.3869","","","","","","1.058","","","","has coordinates","184963","2020-10-21","18:00:00",""
"1543396","12.52","0.0006","11.4587","0.0005","13.5749","0.0006","90","","93.825","0.001","90","","1943.16","0.15","120","2","120","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C26 H21 N3 -","- C26 H21 N3 -","- C104 H84 N12 -","4","1","","Mikshiev, Vladimir Y.; Antonov, Alexander S.; Pozharskii, Alexander F.","Tandem Synthesis of 10-Dimethylaminobenzo[h]quinazolines from 2-Ketimino-1,8-bis(dimethylamino)naphthalenes via Nucleophilic Replacement of the Unactivated Aromatic NMe2 Group.","Organic letters","2016","18","12","2872","2875","10.1021/acs.orglett.6b01178","","","0.71073","MoKα","","0.0596","0.0467","","","0.1132","0.1229","","","","","","1.027","","","","has coordinates","184964","2020-10-21","18:00:00",""
"1543397","20.8133","0.0011","12.4608","0.0006","16.5347","0.0008","90","","106.576","0.001","90","","4110.1","0.4","120","2","120","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C26 H20 Br N3 -","- C26 H20 Br N3 -","- C208 H160 Br8 N24 -","8","1","","Mikshiev, Vladimir Y.; Antonov, Alexander S.; Pozharskii, Alexander F.","Tandem Synthesis of 10-Dimethylaminobenzo[h]quinazolines from 2-Ketimino-1,8-bis(dimethylamino)naphthalenes via Nucleophilic Replacement of the Unactivated Aromatic NMe2 Group.","Organic letters","2016","18","12","2872","2875","10.1021/acs.orglett.6b01178","","","0.71073","MoKα","","0.0397","0.0304","","","0.0779","0.0826","","","","","","1.018","","","","has coordinates","184964","2020-10-21","18:00:00",""
"1543398","19.0121","0.0008","4.9106","0.0002","14.288","0.0006","90","","90","","90","","1333.94","0.1","302","2","302","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C16 H13 N3 O -","- C16 H13 N3 O -","- C64 H52 N12 O4 -","4","1","","Senadi, Gopal Chandru; Gore, Babasaheb Sopan; Hu, Wan-Ping; Wang, Jeh-Jeng","BF3-Etherate-Promoted Cascade Reaction of 2-Alkynylanilines with Nitriles: One-Pot Assembly of 4-Amido-Cinnolines.","Organic letters","2016","18","12","2890","2893","10.1021/acs.orglett.6b01207","","x-ray","0.71073","MoKα","","0.0464","0.0341","","","0.0748","0.0816","","","","","","1.038","","","","has coordinates","184965","2020-10-21","18:00:00",""
"1543399","12.0363","0.0006","17.5689","0.0009","14.3807","0.0007","90","","99.574","0.004","90","","2998.7","0.3","193","2","193","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H19 N O3 -","- C18 H19 N O3 -","- C144 H152 N8 O24 -","8","2","","Pusch, Stefan; Schollmeyer, Dieter; Opatz, Till","A Light-Induced Vinylogous Nazarov-Type Cyclization.","Organic letters","2016","18","13","3043","3045","10.1021/acs.orglett.6b01449","","","0.71073","MoKα","","0.088","0.0506","","","0.1153","0.1307","","","","","","1.019","","","","has coordinates,has disorder","184949","2020-10-21","18:00:00",""
"1543400","9.7259","0.001","12.0868","0.0008","19.6834","0.0016","90","","90","","90","","2313.9","0.3","120","2","120","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C15 H15 N O -","- C15 H15 N O -","- C120 H120 N8 O8 -","8","1","","Pusch, Stefan; Schollmeyer, Dieter; Opatz, Till","A Light-Induced Vinylogous Nazarov-Type Cyclization.","Organic letters","2016","18","13","3043","3045","10.1021/acs.orglett.6b01449","","","0.71073","MoKα","","0.0874","0.0476","","","0.1039","0.1183","","","","","","0.983","","","","has coordinates","184949","2020-10-21","18:00:00",""
"1543401","13.6505","0.0008","13.7482","0.0007","15.8641","0.0007","90","","90","","90","","2977.2","0.3","193","2","193","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C18 H19 N O3 -","- C18 H19 N O3 -","- C144 H152 N8 O24 -","8","1","","Pusch, Stefan; Schollmeyer, Dieter; Opatz, Till","A Light-Induced Vinylogous Nazarov-Type Cyclization.","Organic letters","2016","18","13","3043","3045","10.1021/acs.orglett.6b01449","","","0.71073","MoKα","","0.0644","0.0474","","","0.1138","0.1266","","","","","","1.009","","","","has coordinates,has disorder","184949","2020-10-21","18:00:00",""
"1543402","9.9913","0.0004","11.2227","0.0005","14.6382","0.0007","84.38","0.003","84.025","0.002","81.612","0.002","1609.27","0.12","213","2","213","2","","","","","","","","4","P -1","-P 1","2","","","","- C20 H21 N O2 -","- C20 H21 N O2 -","- C80 H84 N4 O8 -","4","2","","Pusch, Stefan; Schollmeyer, Dieter; Opatz, Till","A Light-Induced Vinylogous Nazarov-Type Cyclization.","Organic letters","2016","18","13","3043","3045","10.1021/acs.orglett.6b01449","","","0.71073","MoKα","","0.0609","0.047","","","0.1169","0.1272","","","","","","1.052","","","","has coordinates","184949","2020-10-21","18:00:00",""
"1543403","10.1906","0.0011","12.049","0.0014","14.4573","0.0015","110.513","0.009","90.495","0.009","93.15","0.009","1659.4","0.3","193","2","193","2","","","","","","","","4","P -1","-P 1","2","","","","- C20 H21 N O2 -","- C20 H21 N O2 -","- C80 H84 N4 O8 -","4","2","","Pusch, Stefan; Schollmeyer, Dieter; Opatz, Till","A Light-Induced Vinylogous Nazarov-Type Cyclization.","Organic letters","2016","18","13","3043","3045","10.1021/acs.orglett.6b01449","","","0.71073","MoKα","","0.1136","0.0657","","","0.142","0.1713","","","","","","1.079","","","","has coordinates,has disorder","184949","2020-10-21","18:00:00",""
"1543404","10.7025","0.001","5.6536","0.0004","19.5304","0.0017","90","","96.79","0.007","90","","1173.45","0.17","193","2","193","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H15 N O -","- C15 H15 N O -","- C60 H60 N4 O4 -","4","1","","Pusch, Stefan; Schollmeyer, Dieter; Opatz, Till","A Light-Induced Vinylogous Nazarov-Type Cyclization.","Organic letters","2016","18","13","3043","3045","10.1021/acs.orglett.6b01449","","","0.71073","MoKα","","0.0986","0.0469","","","0.1081","0.1263","","","","","","0.975","","","","has coordinates","184949","2020-10-21","18:00:00",""
"1543405","15.415","0.002","8.1212","0.001","21.625","0.004","90","","90","","90","","2707.2","0.7","90","0.5","90","0.5","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C18 H19 N -","- C18 H19 N -","- C144 H152 N8 -","8","1","","Stepherson, Jacob R.; Ayala, Caitlan E.; Tugwell, Thomas H.; Henry, Jeffrey L.; Fronczek, Frank R.; Kartika, Rendy","Carbazole Annulation via Cascade Nucleophilic Addition-Cyclization Involving 2-(Silyloxy)pentadienyl Cation.","Organic letters","2016","18","12","3002","3005","10.1021/acs.orglett.6b01376","","","0.71073","MoKα","","0.069","0.0449","","","0.1082","0.1202","","","","","","1.029","","","","has coordinates","184969","2020-10-21","18:00:00",""
"1543406","15.4841","0.0017","20.8131","0.0019","7.9546","0.0007","90","","90","","90","","2563.5","0.4","90","0.5","90","0.5","","","","","","","","3","I b a 2","I 2 -2c","45","","","","- C17 H17 N -","- C17 H17 N -","- C136 H136 N8 -","8","1","","Stepherson, Jacob R.; Ayala, Caitlan E.; Tugwell, Thomas H.; Henry, Jeffrey L.; Fronczek, Frank R.; Kartika, Rendy","Carbazole Annulation via Cascade Nucleophilic Addition-Cyclization Involving 2-(Silyloxy)pentadienyl Cation.","Organic letters","2016","18","12","3002","3005","10.1021/acs.orglett.6b01376","","","1.54184","CuKα","","0.034","0.0281","","","0.071","0.0722","","","","","","1.041","","","","has coordinates","184969","2020-10-21","18:00:00",""
"1543407","15.0538","0.0006","6.7288","0.0003","16.4896","0.0007","90","","97.322","0.002","90","","1656.68","0.12","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C15 H17 Br N2 O4 S -","- C15 H17 Br N2 O4 S -","- C60 H68 Br4 N8 O16 S4 -","4","1","","Seitz, Tobias; Fu, Peng; Haut, Franz-Lucas; Adam, Lutz; Habicht, Marija; Lentz, Dieter; MacMillan, John B.; Christmann, Mathias","One-Pot Synthesis of 5-Hydroxy-4H-1,3-thiazin-4-ones: Structure Revision, Synthesis, and NMR Shift Dependence of Thiasporine A.","Organic letters","2016","18","13","3070","3073","10.1021/acs.orglett.6b01166","","","0.71073","MoKα","","0.039","0.0352","","","0.0925","0.0951","","","","","","1.003","","","","has coordinates","184951","2020-10-21","18:00:00",""
"1543408","6.2837","0.0005","19.6717","0.0016","13.8626","0.0009","90","","95.1","0.003","90","","1706.8","0.2","142","2","142","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C15 H17 Br N2 O4 S -","- C15 H17 Br N2 O4 S -","- C60 H68 Br4 N8 O16 S4 -","4","1","","Seitz, Tobias; Fu, Peng; Haut, Franz-Lucas; Adam, Lutz; Habicht, Marija; Lentz, Dieter; MacMillan, John B.; Christmann, Mathias","One-Pot Synthesis of 5-Hydroxy-4H-1,3-thiazin-4-ones: Structure Revision, Synthesis, and NMR Shift Dependence of Thiasporine A.","Organic letters","2016","18","13","3070","3073","10.1021/acs.orglett.6b01166","","","0.71073","MoKα","","0.081","0.0525","","","0.0873","0.0957","","","","","","1.037","","","","has coordinates","184951","2020-10-21","18:00:00",""
"1543409","10.222","0.0003","20.4529","0.0006","11.0286","0.0003","90","","102.19","0.002","90","","2253.76","0.11","100","2","100","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C24 H22 N6 O3 Pd -","- C24 H22 N6 O3 Pd -","- C96 H88 N24 O12 Pd4 -","4","2","","Ye, Xiaohan; Xu, Chang; Wojtas, Lukasz; Akhmedov, Novruz G.; Chen, Hao; Shi, Xiaodong","Silver-Free Palladium-Catalyzed sp(3) and sp(2) C-H Alkynylation Promoted by a 1,2,3-Triazole Amine Directing Group.","Organic letters","2016","18","12","2970","2973","10.1021/acs.orglett.6b01319","","","1.54178","CuKα","","0.0356","0.03","","","0.058","0.0597","","","","","","1.028","","","","has coordinates","184972","2020-10-21","18:00:00",""
"1543410","8.1204","0.0004","11.3745","0.0006","11.7323","0.0006","79.619","0.002","85.682","0.002","81.305","0.002","1052.38","0.09","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H20 N2 O7 S2 -","- C20 H20 N2 O7 S2 -","- C40 H40 N4 O14 S4 -","2","1","","Martínez, Claudio; Pérez, Edwin G; Iglesias, Álvaro; Escudero-Adán, Eduardo C; Muñiz, Kilian","Regioselective Intermolecular Diamination and Aminooxygenation of Alkenes with Saccharin.","Organic letters","2016","18","12","2998","3001","10.1021/acs.orglett.6b01368","","","0.71073","MoKα","","0.0493","0.0433","","","0.1212","0.1264","","","","","","1.049","","","","has coordinates","184973","2020-10-21","18:00:00",""
"1543411","11.6132","0.0008","11.8042","0.0009","22.2493","0.0017","86.411","0.003","75.439","0.003","84.592","0.002","2936.5","0.4","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C47 H34 Cl2 N6 O20 Pd3 S6 -","- C47 H34 Cl2 N6 O20 Pd3 S6 -","- C94 H68 Cl4 N12 O40 Pd6 S12 -","2","1","","Martínez, Claudio; Pérez, Edwin G; Iglesias, Álvaro; Escudero-Adán, Eduardo C; Muñiz, Kilian","Regioselective Intermolecular Diamination and Aminooxygenation of Alkenes with Saccharin.","Organic letters","2016","18","12","2998","3001","10.1021/acs.orglett.6b01368","","","0.71073","MoKα","","0.0701","0.0489","","","0.1426","0.161","","","","","","1.06","","","","has coordinates,has disorder","184973","2020-10-21","18:00:00",""
"1543412","13.2563","0.0002","13.2563","0.0002","27.5616","0.0007","90","","90","","90","","4843.39","0.16","30","5","30","5","","","","","","","","6","I 4/m c m","-I 4 2c","140","","","","- C45 H32 Cu2 I2 N4 S1.95 -","- C45 H32 Cu2 I2 N4 S1.906 -","- C180 H128 Cu8 I8 N16 S7.624 -","4","0.125","ED5008","Kitagawa, Hakuba; Ohtsu, Hiroyoshi; Cruz-Cabeza, Aurora J.; Kawano, Masaki","Isolation and evolution of labile sulfur allotropesviakinetic encapsulation in interactive porous networks","IUCrJ","2016","3","4","","","10.1107/S2052252516008423","","","0.6899","synchrotron","","0.062","0.0372","","","0.0892","0.0981","","","","","","0.752","","","","has coordinates,has disorder","183354","2020-10-21","18:00:00",""
"1543413","26.7176","0.0005","26.7176","0.0005","7.1942","0.0002","90","","90","","90","","5135.4","0.2","250","2","250","2","","","","","","","","6","P -4","P -4","81","","","","- C45 H32 Cu1.88 I1.88 N4 S3 -","- C45 H32 Cu1.8762 I1.8762 N4 S2.991 -","- C180 H128 Cu7.5048 I7.5048 N16 S11.964 -","4","1","","Kitagawa, Hakuba; Ohtsu, Hiroyoshi; Cruz-Cabeza, Aurora J.; Kawano, Masaki","Isolation and evolution of labile sulfur allotropesviakinetic encapsulation in interactive porous networks","IUCrJ","2016","3","4","","","10.1107/S2052252516008423","","","0.8","synchrotron","","0.0866","0.0675","","","0.208","0.2346","","","","","","1.013","","","","has coordinates,has disorder","183354","2020-10-21","18:00:00",""
"1543414","26.8758","0.0004","26.8758","0.0004","7.1689","0.0001","90","","90","","90","","5178.16","0.13","300","2","300","2","","","","","","","","6","I -4","I -4","82","","","","- C45 H32 Cu1.88 I1.88 N4 S3.01 -","- C45 H32 Cu1.88 I1.88 N4 S3.012 -","- C180 H128 Cu7.52 I7.52 N16 S12.048 -","4","0.5","","Kitagawa, Hakuba; Ohtsu, Hiroyoshi; Cruz-Cabeza, Aurora J.; Kawano, Masaki","Isolation and evolution of labile sulfur allotropesviakinetic encapsulation in interactive porous networks","IUCrJ","2016","3","4","","","10.1107/S2052252516008423","","","0.8","synchrotron","","0.0441","0.0389","","","0.1115","0.1182","","","","","","1.079","","","","has coordinates,has disorder","183354","2020-10-21","18:00:00",""
"1543415","26.8987","0.0005","26.8987","0.0005","7.1788","0.0001","90","","90","","90","","5194.15","0.15","350","2","350","2","","","","","","","","6","I -4","I -4","82","","","","- C45 H32 Cu1.88 I1.88 N4 S3.01 -","- C45 H32 Cu1.8762 I1.8762 N4 S3.012 -","- C180 H128 Cu7.5048 I7.5048 N16 S12.048 -","4","0.5","","Kitagawa, Hakuba; Ohtsu, Hiroyoshi; Cruz-Cabeza, Aurora J.; Kawano, Masaki","Isolation and evolution of labile sulfur allotropesviakinetic encapsulation in interactive porous networks","IUCrJ","2016","3","4","","","10.1107/S2052252516008423","","","0.8","synchrotron","","0.046","0.0412","","","0.1146","0.1203","","","","","","1.053","","","","has coordinates,has disorder","183354","2020-10-21","18:00:00",""
"1543416","26.8664","0.0004","26.8664","0.0004","7.1717","0.0001","90","","90","","90","","5176.56","0.13","300","2","300","2","","","","","","","","6","I -4","I -4","82","","","","- C45 H32 Cu1.85 I1.85 N4 S3 -","- C45 H32 Cu1.848 I1.848 N4 S3.008 -","- C180 H128 Cu7.392 I7.392 N16 S12.032 -","4","0.5","","Kitagawa, Hakuba; Ohtsu, Hiroyoshi; Cruz-Cabeza, Aurora J.; Kawano, Masaki","Isolation and evolution of labile sulfur allotropesviakinetic encapsulation in interactive porous networks","IUCrJ","2016","3","4","","","10.1107/S2052252516008423","","","0.7","synchrotron","","0.0453","0.0356","","","0.0974","0.1048","","","","","","0.993","","","","has coordinates,has disorder","183354","2020-10-21","18:00:00",""
"1543417","6.2175","0.0002","10.2646","0.0004","20.7094","0.0008","102.511","0.002","94.343","0.002","95.263","0.002","1278.63","0.08","220","2","220","2","","","","","","","","4","P -1","-P 1","2","","(4<i>E</i>)-1-Phenyl-4-{[(pyridin-2-yl)amino]methylidene}pyrazolidine-3,5-dione","","- C15 H12 N4 O2 -","- C15 H12 N4 O2 -","- C60 H48 N16 O8 -","4","2","TK4017","Mohamed, Shaaban K.; Mague, Joel T.; Akkurt, Mehmet; Khodairy, Ahmed; Albayati, Mustafa R.; Ahmed, Eman A.","(4<i>E</i>)-1-Phenyl-4-{[(pyridin-2-yl)amino]methylidene}pyrazolidine-3,5-dione","IUCrData","2016","1","6","x160909","","10.1107/S2414314616009093","","","1.54178","CuKα","","0.075","0.0656","","","0.1648","0.1706","","","","","","1.112","","","","has coordinates,has Fobs","183356","2020-10-21","18:00:00",""
"1543418","14.178","0.003","6.9187","0.0018","7.6407","0.0012","90","","90","","90","","749.5","0.3","293","2","293","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","3,5-Dibromo-4-methylpyridine","","- C6 H5 Br2 N -","- C6 H5 Br2 N -","- C24 H20 Br8 N4 -","4","0.5","SJ4042","Medjani, Meriem; Brihi, Ouarda; Bouraoui, Hazem; Hamdouni, Noudjoud; Boudjada, Ali; Meinnel, Jean","3,5-Dibromo-4-methylpyridine","IUCrData","2016","1","6","x160859","","10.1107/S2414314616008592","","","0.71073","MoKα","","0.122","0.0511","","","0.125","0.125","","","","","","1.022","","","","has coordinates,has Fobs","183357","2020-10-21","18:00:00",""
"1543419","8.1594","0.0006","9.2419","0.0006","10.4393","0.0007","82.454","0.006","77.443","0.006","82.281","0.004","757.16","0.09","297","1","297","1","","","","","","","","5","P -1","-P 1","2","","<i>cis</i>-Dichlorido(6,11-dihydrodibenzo[<i>b</i>,<i>f</i>][1,4]dithiocine-κ^2^<i>S</i>,<i>S</i>')palladium(II)","","- C14 H12 Cl2 Pd S2 -","- C14 H12 Cl2 Pd S2 -","- C28 H24 Cl4 Pd2 S4 -","2","1","SJ4043","Bernès, Sylvain; Tiburcio, Jorge; Torrens, Hugo","<i>cis</i>-Dichlorido(6,11-dihydrodibenzo[<i>b</i>,<i>f</i>][1,4]dithiocine-κ^2^<i>S</i>,<i>S</i>')palladium(II)","IUCrData","2016","1","6","x160852","","10.1107/S241431461600852X","","","0.71073","MoKα","","0.0477","0.0318","","","0.0693","0.0759","","","","","","1.026","","","","has coordinates,has Fobs","183358","2020-10-21","18:00:00",""
"1543420","8.2338","0.0002","10.9617","0.0002","12.2646","0.0003","76.239","0.001","83.571","0.001","80.407","0.001","1057.12","0.04","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","2,4-Dichloro-<i>N</i>-{[1-(2,4-dichlorobenzoyl)piperidin-4-yl]methyl}benzamide","","- C20 H18 Cl4 N2 O2 -","- C20 H18 Cl4 N2 O2 -","- C40 H36 Cl8 N4 O4 -","2","1","","Gomathi, S.; Reuben Jonathan, D.; Dravida Thendral, E. R. A.; Revathi, B. K.; Usha, G.","2,4-Dichloro-<i>N</i>-{[1-(2,4-dichlorobenzoyl)piperidin-4-yl]methyl}benzamide","IUCrData","2016","1","6","x160919","","10.1107/S2414314616009196","","","0.71073","MoKα","","0.1545","0.0859","","","0.1477","0.1863","","","","","","1.065","","","","has coordinates,has Fobs","183359","2020-10-21","18:00:00",""
"1543421","8.2286","0.0003","14.9146","0.0006","10.4058","0.0004","90","","111.423","0.001","90","","1188.83","0.08","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Cyclohexane-1,4-diammonium dithiocyanate","","- C8 H16 N4 S2 -","- C8 H16 N4 S2 -","- C32 H64 N16 S8 -","4","1","SJ4044","Mague, Joel T.; Akkurt, Mehmet; Mohamed, Shaaban K.; Abdelhamid, Antar A.; Albayati, Mustafa R.","Cyclohexane-1,4-diammonium dithiocyanate","IUCrData","2016","1","6","x160864","","10.1107/S2414314616008646","","","1.54178","CuKα","","0.0417","0.037","","","0.097","0.1005","","","","","","1.04","","","","has coordinates,has Fobs","183360","2020-10-21","18:00:00",""
"1543422","8.4761","0.0002","15.2842","0.0002","20.5734","0.0003","90","","90","","90","","2665.29","0.08","103","2","103","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(1,4,7,10,13,16-Hexaoxacyclooctadecane-κ^6^<i>O</i>)potassium dicarbonyl(η^5^-pentamethylcyclopentadienyl)ferrate(II)","","- C24 H39 Fe K O8 -","- C24 H39 Fe K O8 -","- C96 H156 Fe4 K4 O32 -","4","1","WM4016","Mizuhata, Yoshiyuki; Yanagisawa, Tatsuya; Sasamori, Takahiro; Tokitoh, Norihiro","[K(18-crown-6)][FeCp*(CO)~2~]","IUCrData","2016","1","6","x160881","","10.1107/S2414314616008816","","","0.71075","MoKα","","0.0267","0.026","","","0.0665","0.0671","","","","","","1.11","","","","has coordinates,has Fobs","183361","2020-10-21","18:00:00",""
"1543423","3.9766","0.0004","11.9503","0.0013","17.947","0.002","90","","96.163","0.003","90","","847.94","0.16","299.69","","299.69","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","5-Chloro-1-methylindoline-2,3-dione","","- C9 H6 Cl N O2 -","- C9 H6 Cl N O2 -","- C36 H24 Cl4 N4 O8 -","4","1","TK4016","Tribak, Zineb; Kandri Rodi, Youssef; Haoudi, Amal; Essassi, El Mokhtar; Capet, Frédéric; Zouihri, Hafid","5-Chloro-1-methylindoline-2,3-dione","IUCrData","2016","1","6","x160913","","10.1107/S2414314616009135","","","0.71073","MoKα","","0.0538","0.0405","","","0.0959","0.1033","","","","","","1.045","","","","has coordinates,has Fobs","183362","2020-10-21","18:00:00",""
"1543424","12.8934","0.0009","7.6576","0.0004","13.2374","0.0009","90","","113.58","0.008","90","","1197.83","0.15","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(<i>N</i>-{Amino[(diaminomethylidene)amino]methylidene}-<i>N</i>-methylmethanaminium)tribromidozinc(II)","","- C4 H12 Br3 N5 Zn -","- C4 H12 Br3 N5 Zn -","- C16 H48 Br12 N20 Zn4 -","4","1","","Germán-Acacio, Juan M.; Rivas Arzate, Chrystian; Cardenas-Valencia, Zeus; Flores-Alamo, Marcos; Morales-Morales, David","(N-{Amino[(diaminomethylidene)amino]methylidene}-N-methylmethanaminium)tribromidozinc(II)","IUCrData","2016","1","6","","","10.1107/S2414314616008555","","","0.71073","MoKα","","0.0821","0.0623","","","0.1891","0.2056","","","","","","1.081","","","","has coordinates,has Fobs","183363","2020-10-21","18:00:00",""
"1543425","8.0406","0.0009","9.2313","0.0014","15.9898","0.0017","85.693","0.019","76.448","0.019","87.082","0.019","1149.9","0.3","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","2-Chloro-<i>N</i>-(4-phenyl-1,3-thiazol-2-yl)acetamide","","- C11 H9 Cl N2 O S -","- C11 H9 Cl N2 O S -","- C44 H36 Cl4 N8 O4 S4 -","4","2","ZQ4007","Saravanan, K.; Elancheran, R.; Divakar, S.; Kabilan, S.; Selvanayagam, S.","2-Chloro-<i>N</i>-(4-phenyl-1,3-thiazol-2-yl)acetamide","IUCrData","2016","1","6","x160879","","10.1107/S2414314616008798","","","0.71073","MoKα","","0.0771","0.0554","","","0.1534","0.1739","","","","","","1.027","","","","has coordinates,has Fobs","183364","2020-10-21","18:00:00",""
"1543426","24.9817","0.0018","11.9639","0.0009","26.6933","0.0019","90","","95.7654","0.0013","90","","7937.7","1","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C44 H48 B Mn N7 O0.5 -","- C44 H48 B Mn N7 O0.5 -","- C352 H384 B8 Mn8 N56 O4 -","8","2","","Ding, Mei; Cutsail, 3rd, George E; Aravena, Daniel; Amoza, Martín; Rouzières, Mathieu; Dechambenoit, Pierre; Losovyj, Yaroslav; Pink, Maren; Ruiz, Eliseo; Clérac, Rodolphe; Smith, Jeremy M.","A Low Spin Manganese(IV) Nitride Single Molecule Magnet.","Chemical science","2016","7","9","6132","6140","10.1039/C6SC01469K","","","0.41328","synchrotron","","0.1176","0.0646","","","0.1611","0.1935","","","","","","1.096","","","","has coordinates","188065","2020-10-21","18:00:00",""
"1543427","19.4894","0.001","16.2426","0.0009","49.107","0.003","90","","90.164","0.003","90","","15545.2","1.5","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C42 H44 B Cl Mn N6 -","- C42 H44 B Cl Mn N6 -","- C672 H704 B16 Cl16 Mn16 N96 -","16","2","","Ding, Mei; Cutsail, 3rd, George E; Aravena, Daniel; Amoza, Martín; Rouzières, Mathieu; Dechambenoit, Pierre; Losovyj, Yaroslav; Pink, Maren; Ruiz, Eliseo; Clérac, Rodolphe; Smith, Jeremy M.","A Low Spin Manganese(IV) Nitride Single Molecule Magnet.","Chemical science","2016","7","9","6132","6140","10.1039/C6SC01469K","","","0.71073","MoKα","","0.1088","0.0581","","","0.1295","0.1548","","","","","","1.035","","","","has coordinates","188065","2020-10-21","18:00:00",""
"1543428","6.8957","0.0003","18.2571","0.0008","26.4728","0.0013","90","","91.3638","0.0019","90","","3331.9","0.3","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C38 H36 N2 O3 S -","- C38 H36 N2 O3 S -","- C152 H144 N8 O12 S4 -","4","1","","Yadagiri, Dongari; Reddy, Angula Chandra Shekar; Anbarasan, Pazhamalai","Rhodium catalyzed diastereoselective synthesis of 2,2,3,3-tetrasubstituted indolines from N-sulfonyl-1,2,3-triazoles and ortho-vinylanilines","Chem. Sci.","2016","7","9","5934","","10.1039/C6SC01075J","","x-ray","0.71073","MoKα","","0.1049","0.0642","","","0.1774","0.2138","","","","","","1.063","","","","has coordinates","186334","2020-10-21","18:00:00",""
"1543429","8.5621","0.0003","12.1149","0.0004","25.0836","0.001","90","","99.7094","0.0014","90","","2564.63","0.16","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C30 H28 N2 O2 S -","- C30 H28 N2 O2 S -","- C120 H112 N8 O8 S4 -","4","1","","Yadagiri, Dongari; Reddy, Angula Chandra Shekar; Anbarasan, Pazhamalai","Rhodium catalyzed diastereoselective synthesis of 2,2,3,3-tetrasubstituted indolines from N-sulfonyl-1,2,3-triazoles and ortho-vinylanilines","Chem. Sci.","2016","7","9","5934","","10.1039/C6SC01075J","","x-ray","0.71073","MoKα","","0.0562","0.0398","","","0.0961","0.1069","","","","","","1.016","","","","has coordinates","186334","2020-10-21","18:00:00",""
"1543430","9.9852","0.0004","10.521","0.0005","22.3329","0.0009","90","","97.84","0.003","90","","2324.24","0.17","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C4 H14 B10 O2 -","- C4 H14 B10 O2 -","- C32 H112 B80 O16 -","8","2","","Zhao, Da; Xie, Zuowei","[3-N2-o-C2B10H11][BF4]: a useful synthon for multiple cage boron functionalizations of o-carborane","Chem. Sci.","2016","7","9","5635","","10.1039/C6SC01566B","","","0.71073","MoKα","","0.2063","0.1094","","","0.2933","0.3778","","","","","","1.035","","","","has coordinates,has disorder","186340","2020-10-21","18:00:00",""
"1543431","9.8848","0.001","9.8277","0.001","20.924","0.002","90","","90","","90","","2032.7","0.4","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C2 H11 B10 N O2 -","- C2 H9 B10 N O2 -","- C16 H72 B80 N8 O16 -","8","1","","Zhao, Da; Xie, Zuowei","[3-N2-o-C2B10H11][BF4]: a useful synthon for multiple cage boron functionalizations of o-carborane","Chem. Sci.","2016","7","9","5635","","10.1039/C6SC01566B","","","0.71073","MoKα","","0.0981","0.0696","","","0.1837","0.214","","","","","","1.041","","","","has coordinates","186340","2020-10-21","18:00:00",""
"1543432","18.9522","0.0004","12.8653","0.0002","33.3636","0.001","90","","96.738","0.002","90","","8078.7","0.3","291","2","291.15","","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C21 H17 N3 O3 S -","- C21 H17 N3 O3 S -","- C336 H272 N48 O48 S16 -","16","4","","Zhu, Bo; Qiu, Shuai; Li, Jiangtao; Coote, Michelle L.; Lee, Richmond; Jiang, Zhiyong","Asymmetric [4 + 2] annulation of 5H-thiazol-4-ones with a chiral dipeptide-based Brønsted base catalyst","Chem. Sci.","2016","7","9","6060","","10.1039/C6SC02039A","","","1.54184","CuKα","","0.0673","0.0536","","","0.1371","0.1486","","","","","","1.069","","","","has coordinates","186341","2020-10-21","18:00:00",""
"1543433","11.2983","0.0004","40.617","0.002","11.3731","0.0004","90","","112.949","0.004","90","","4806.1","0.4","291","2","291","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C25 H19 F3 N2 O3 S -","- C25 H19 F3 N2 O3 S -","- C200 H152 F24 N16 O24 S8 -","8","4","","Zhu, Bo; Qiu, Shuai; Li, Jiangtao; Coote, Michelle L.; Lee, Richmond; Jiang, Zhiyong","Asymmetric [4 + 2] annulation of 5H-thiazol-4-ones with a chiral dipeptide-based Brønsted base catalyst","Chem. Sci.","2016","7","9","6060","","10.1039/C6SC02039A","","","1.54184","CuKα","","0.092","0.0784","","","0.2049","0.2157","","","","","","1.065","","","","has coordinates","186341","2020-10-21","18:00:00",""
"1543434","9.6612","0.0002","14.6195","0.0003","20.0326","0.0005","90","","90","","90","","2829.44","0.11","293","2","293.15","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C32 H26 Br N3 O4 S -","- C32 H26 Br N3 O4 S -","- C128 H104 Br4 N12 O16 S4 -","4","1","","Zhu, Bo; Qiu, Shuai; Li, Jiangtao; Coote, Michelle L.; Lee, Richmond; Jiang, Zhiyong","Asymmetric [4 + 2] annulation of 5H-thiazol-4-ones with a chiral dipeptide-based Brønsted base catalyst","Chem. Sci.","2016","7","9","6060","","10.1039/C6SC02039A","","","1.54184","CuKα","","0.0464","0.0395","","","0.0951","0.1017","","","","","","1.041","","","","has coordinates","186341","2020-10-21","18:00:00",""
"1543435","13.9587","0.0012","3.8076","0.0003","14.2557","0.0012","90","","111.997","0.003","90","","702.52","0.1","100","2","100","2","","","","","","","","3","P 1 c 1","P -2yc","7","","diketone","","- C22 H12 O2 -","- C22 H12 O2 -","- C44 H24 O4 -","2","1","","Yang, Xuejin; Shi, Xueliang; Aratani, Naoki; Gonçalves, Théo P.; Huang, Kuo-Wei; Yamada, Hiroko; Chi, Chunyan; Miao, Qian","Benzo[4,5]cyclohepta[1,2-b]fluorene: an isomeric motif for pentacene containing linearly fused five-, six- and seven-membered rings","Chem. Sci.","2016","7","9","6176","","10.1039/C6SC01795A","","","0.71073","MoKα","","0.0453","0.0369","","","0.0853","0.0895","","","","","","1.036","","","","has coordinates","186343","2020-10-21","18:00:00",""
"1543436","20.925","0.002","8.4456","0.001","34.677","0.004","90","","91.177","0.003","90","","6127","1.2","90","","90","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C42 H37 N -","- C42 H37 N -","- C336 H296 N8 -","8","2","","Yang, Xuejin; Shi, Xueliang; Aratani, Naoki; Gonçalves, Théo P.; Huang, Kuo-Wei; Yamada, Hiroko; Chi, Chunyan; Miao, Qian","Benzo[4,5]cyclohepta[1,2-b]fluorene: an isomeric motif for pentacene containing linearly fused five-, six- and seven-membered rings","Chem. Sci.","2016","7","9","6176","","10.1039/C6SC01795A","","","0.71073","MoKα","","0.1248","0.0652","","","0.1536","0.1851","","","","","","1.03","","","","has coordinates,has disorder","186343","2020-10-21","18:00:00",""
"1543437","14.501","0.002","8.8433","0.0014","17.883","0.003","90","","107.206","0.003","90","","2190.6","0.6","296","2","296","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C21 H23 F4 N2 O2 S -","- C21 H23 F4 N2 O2 S -","- C84 H92 F16 N8 O8 S4 -","4","2","","Xie, Chen; Zhang, Lijun; Sha, Wanxing; Soloshonok, Vadim A.; Han, Jianlin; Pan, Yi","Detrifluoroacetylative in Situ Generation of Free 3-Fluoroindolin-2-one-Derived Tertiary Enolates: Design, Synthesis, and Assessment of Reactivity toward Asymmetric Mannich Reactions.","Organic letters","2016","18","13","3270","3273","10.1021/acs.orglett.6b01516","","","0.71073","MoKα","","0.0657","0.0487","","","0.1231","0.1361","","","","","","1.027","","","","has coordinates","184948","2020-10-21","18:00:00",""
"1543438","5.9339","0.0002","12.3047","0.0005","21.7128","0.0009","90","","90","","90","","1585.36","0.11","199.16","0.1","199.16","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C19 H19 N O2 -","- C19 H19 N O2 -","- C76 H76 N4 O8 -","4","1","","Jiang, Xiaojian; Yang, Junjie; Zhang, Feng; Yu, Pei; Yi, Peng; Sun, Yewei; Wang, Yuqiang","Synthesis of Quaternary 3,3-Disubstituted 2-Oxindoles from 2-Substituted Indole Using Selectfluor.","Organic letters","2016","18","13","3154","3157","10.1021/acs.orglett.6b01367","","x-ray","1.54184","CuKα","","0.0371","0.0337","","","0.086","0.0893","","","","","","1.052","","","","has coordinates","184952","2020-10-21","18:00:00",""
"1543439","19.469","0.003","12.2196","0.0016","16.391","0.002","90","","102.099","0.003","90","","3812.9","0.9","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C47 H46 N2 O3 Pd -","- C47 H46 N2 O3 Pd -","- C188 H184 N8 O12 Pd4 -","4","1","","Chow, Pui-Keong; Cheng, Gang; Tong, Glenna So Ming; Ma, Chensheng; Kwok, Wai-Ming; Ang, Wai-Hung; Chung, Clive Yik-Sham; Yang, Chen; Wang, Feng; Che, Chi-Ming","Highly luminescent palladium(ii) complexes with sub-millisecond blue to green phosphorescent excited states. Photocatalysis and highly efficient PSF-OLEDs","Chem. Sci.","2016","7","9","6083","","10.1039/C6SC00462H","","","1.54178","CuKα","","0.0323","0.0323","","","0.0884","0.0885","","","","","","1.043","","","","has coordinates","186325","2020-10-21","18:00:00",""
"1543440","15.2388","0.0013","14.5866","0.0013","15.9868","0.0014","90","","106.442","0.0018","90","","3408.3","0.5","100","","100","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C43 H36 F2 N2 O Pd -","- C43 H36 F2 N2 O Pd -","- C172 H144 F8 N8 O4 Pd4 -","4","1","","Chow, Pui-Keong; Cheng, Gang; Tong, Glenna So Ming; Ma, Chensheng; Kwok, Wai-Ming; Ang, Wai-Hung; Chung, Clive Yik-Sham; Yang, Chen; Wang, Feng; Che, Chi-Ming","Highly luminescent palladium(ii) complexes with sub-millisecond blue to green phosphorescent excited states. Photocatalysis and highly efficient PSF-OLEDs","Chem. Sci.","2016","7","9","6083","","10.1039/C6SC00462H","","","1.54178","CuKα","","0.0384","0.0379","","","0.1013","0.1019","","","","","","1.038","","","","has coordinates,has disorder","186325","2020-10-21","18:00:00",""
"1543441","10.9741","0.0004","21.744","0.0008","15.245","0.0011","90","","96.681","0.007","90","","3613.1","0.3","93","2","93","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","mini-15021","","","- C40 H56 Fe N2 O -","- C40 H56 Fe N2 O -","- C160 H224 Fe4 N8 O4 -","4","1","","MacLeod, K. Cory; McWilliams, Sean F.; Mercado, Brandon Q.; Holland, Patrick L.","Stepwise N‒H bond formation from N2-derived iron nitride, imide and amide intermediates to ammonia","Chem. Sci.","2016","7","9","5736","","10.1039/C6SC00423G","","","0.71075","MoKα","","0.1016","0.0697","","","0.1171","0.1268","","","","","","1.151","","","","has coordinates","186326","2020-10-21","18:00:00",""
"1543442","25.7232","0.0018","12.6083","0.0004","38.521","0.004","90","","92.547","0.009","90","","12481","1.6","93","2","93","2","","","","","","","","4","I 1 2/a 1","-I 2ya","15","007-14177","","","- C69 H89 Fe3 N8 -","- C69 H89 Fe3 N8 -","- C552 H712 Fe24 N64 -","8","1","","MacLeod, K. Cory; McWilliams, Sean F.; Mercado, Brandon Q.; Holland, Patrick L.","Stepwise N‒H bond formation from N2-derived iron nitride, imide and amide intermediates to ammonia","Chem. Sci.","2016","7","9","5736","","10.1039/C6SC00423G","","","1.54187","CuKα","","0.113","0.0756","","","0.1807","0.218","","","","","","0.975","","","","has coordinates,has disorder","186326","2020-10-21","18:00:00",""
"1543443","26.1506","0.0018","12.4838","0.0002","39.818","0.004","90","","90.725","0.009","90","","12997.9","1.6","93","2","93","2","","","","","","","","4","I 1 2/a 1","-I 2ya","15","spider-14106","","","- C71 H95 Fe3 N8 -","- C71 H95 Fe3 N8 -","- C568 H760 Fe24 N64 -","8","1","","MacLeod, K. Cory; McWilliams, Sean F.; Mercado, Brandon Q.; Holland, Patrick L.","Stepwise N‒H bond formation from N2-derived iron nitride, imide and amide intermediates to ammonia","Chem. Sci.","2016","7","9","5736","","10.1039/C6SC00423G","","","0.71075","MoKα","","0.0675","0.0483","","","0.1121","0.1216","","","","","","1.044","","","","has coordinates","186326","2020-10-21","18:00:00",""
"1543444","11.6617","0.0004","12.8275","0.0004","17.826","0.003","110.292","0.007","99.483","0.008","103.94","0.007","2335.4","0.5","93","2","93","2","","","","","","","","4","P -1","-P 1","2","spider-14080","","","- C51 H66 Fe2 N6 -","- C51 H66 Fe2 N6 -","- C102 H132 Fe4 N12 -","2","1","","MacLeod, K. Cory; McWilliams, Sean F.; Mercado, Brandon Q.; Holland, Patrick L.","Stepwise N‒H bond formation from N2-derived iron nitride, imide and amide intermediates to ammonia","Chem. Sci.","2016","7","9","5736","","10.1039/C6SC00423G","","","0.71075","MoKα","","0.0425","0.0349","","","0.0883","0.0924","","","","","","1.05","","","","has coordinates","186326","2020-10-21","18:00:00",""
"1543445","12.7872","0.0008","12.8768","0.0008","14.4731","0.0009","77.782","0.001","84.648","0.001","82.055","0.001","2301.7","0.2","100","0.5","100","0.5","","","","","","","","5","P -1","-P 1","2","holkg01","","","- C48 H66 Fe2 N4 O3 -","- C48 H66 Fe2 N4 O3 -","- C96 H132 Fe4 N8 O6 -","2","1","","MacLeod, K. Cory; McWilliams, Sean F.; Mercado, Brandon Q.; Holland, Patrick L.","Stepwise N‒H bond formation from N2-derived iron nitride, imide and amide intermediates to ammonia","Chem. Sci.","2016","7","9","5736","","10.1039/C6SC00423G","","","0.71073","MoKα","","0.1124","0.0534","","","0.1037","0.125","","","","","","1.009","","","","has coordinates,has disorder","186326","2020-10-21","18:00:00",""
"1543446","10.8292","0.0017","12.1016","0.0019","12.4355","0.0019","104.019","0.007","113.332","0.008","108.094","0.008","1291.9","0.4","93","2","93","2","","","","","","","","4","P -1","-P 1","2","mini-14047","","","- C60 H64 Fe2 N4 -","- C60 H64 Fe2 N4 -","- C60 H64 Fe2 N4 -","1","0.5","","MacLeod, K. Cory; McWilliams, Sean F.; Mercado, Brandon Q.; Holland, Patrick L.","Stepwise N‒H bond formation from N2-derived iron nitride, imide and amide intermediates to ammonia","Chem. Sci.","2016","7","9","5736","","10.1039/C6SC00423G","","","0.71075","MoKα","","0.094","0.0734","","","0.168","0.1794","","","","","","1.171","","","","has coordinates","186326","2020-10-21","18:00:00",""
"1543447","8.1716","0.0002","18.2611","0.0003","17.0223","0.0012","90","","99.181","0.007","90","","2507.6","0.2","93","2","93","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","spider-14140","","","- C31 H34 Fe N2 -","- C31 H34 Fe N2 -","- C124 H136 Fe4 N8 -","4","1","","MacLeod, K. Cory; McWilliams, Sean F.; Mercado, Brandon Q.; Holland, Patrick L.","Stepwise N‒H bond formation from N2-derived iron nitride, imide and amide intermediates to ammonia","Chem. Sci.","2016","7","9","5736","","10.1039/C6SC00423G","","","0.71075","MoKα","","0.0434","0.0376","","","0.0923","0.0956","","","","","","1.089","","","","has coordinates,has disorder","186326","2020-10-21","18:00:00",""
"1543449","7.5528","0.0002","11.7831","0.0003","14.103","0.0003","90","","90","","90","","1255.1","0.05","90","0.2","90","0.2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C15 H18 O3 -","- C15 H18 O3 -","- C60 H72 O12 -","4","1","","Ordóñez, Paola E; Sharma, Krishan K.; Bystrom, Laura M.; Alas, Maria A.; Enriquez, Raul G.; Malagón, Omar; Jones, Darin E.; Guzman, Monica L.; Compadre, Cesar M.","Dehydroleucodine, a Sesquiterpene Lactone from Gynoxys verrucosa, Demonstrates Cytotoxic Activity against Human Leukemia Cells.","Journal of natural products","2016","79","4","691","696","10.1021/acs.jnatprod.5b00383","","","1.54178","CuKα","","0.0286","0.0284","","","0.0751","0.0753","","","","","","1.054","","","","has coordinates","183540","2020-10-21","18:00:00",""
"1543450","11.7328","0.0001","13.0767","0.0001","19.2454","0.0002","90","","90","","90","","2952.75","0.05","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","Conoduzidine A","","","- C19 H20 N2 O2 -","- C19 H20 N2 O2 -","- C152 H160 N16 O16 -","8","2","","Nge, Choy-Eng; Chong, Kam-Weng; Thomas, Noel F.; Lim, Siew-Huah; Low, Yun-Yee; Kam, Toh-Seok","Ibogan, Aspidosperman, Vincamine, and Bisindole Alkaloids from a Malayan Tabernaemontana corymbosa: Iboga Alkaloids with C-20α Substitution.","Journal of natural products","2016","79","5","1388","1399","10.1021/acs.jnatprod.6b00129","","","1.54184","CuKα","","0.0358","0.0354","","","0.0898","0.0901","","","","","","1.072","","","","has coordinates","183541","2020-10-21","18:00:00",""
"1543451","10.2168","0.0002","8.9068","0.0001","14.1388","0.0002","90","","96.912","0.001","90","","1277.27","0.03","143","2","143","2","","","","","","","","5","P 1 n 1","P -2yac","7","","","","- C33 H25 B F4 Ni -","- C33 H25 B F4 Ni -","- C66 H50 B2 F8 Ni2 -","2","1","","Craig, Peter R.; Havlas, Zdeněk; Trujillo, Marianela; Rempala, Pawel; Kirby, James P.; Miller, John R.; Noll, Bruce C.; Michl, Josef","Electronic Spectra of the Tetraphenylcyclobutadienecyclopentadienylnickel(II) Cation and Radical.","The journal of physical chemistry. A","2016","120","20","3456","3462","10.1021/acs.jpca.6b00648","","","0.71073","MoKα","","0.0473","0.0414","","","0.0935","0.0961","","","","","","1.038","","","","has coordinates","183547","2020-10-21","18:00:00",""
"1543452","10.4604","0.0007","15.2727","0.0011","7.3353","0.0005","90","","104.354","0.003","90","","1135.29","0.14","100","","99.98","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C3 H4 Na2 O5 -","- C3 H4 Na2 O5 -","- C24 H32 Na16 O40 -","8","2","","Kissinger, Jared A.; Buttke, Lukas G.; Vinokur, Anastasiya I.; Guzei, Ilia A.; Beyer, Keith D.","Solubilities and Glass Formation in Aqueous Solutions of the Sodium Salts of Malonic Acid With and Without Ammonium Sulfate.","The journal of physical chemistry. A","2016","120","21","3827","3834","10.1021/acs.jpca.6b02656","","x-ray","1.54178","CuKα","","0.0244","0.0242","","","0.0647","0.0648","","","","","","1.135","","","","has coordinates","183548","2020-10-21","18:00:00",""
"1543453","9.0158","0.0006","12.2248","0.0007","13.1669","0.0008","108.203","0.001","99.324","0.001","107.088","0.001","1265.2","0.14","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C60 H58 Cl4 N4 O2 -","- C60 H58 Cl4 N4 O2 -","- C60 H58 Cl4 N4 O2 -","1","0.5","","Zhu, Yangjie; Chen, Weiping; Wang, Tong; Wang, Haibo; Wang, Yue; Yan, Donghang","Highly Crystalline Films of Organic Small Molecules with Alkyl Chains Fabricated by Weak Epitaxy Growth.","The journal of physical chemistry. B","2016","120","18","4310","4318","10.1021/acs.jpcb.6b01579","","","0.71073","MoKα","","0.0781","0.0637","","","0.1792","0.1993","","","","","","1.046","","","","has coordinates","183549","2020-10-21","18:00:00",""
"1543454","16.249","0.003","9.878","0.002","8.2425","0.0016","90","","104.79","0.03","90","","1279.2","0.5","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","<i>catena</i>-Poly[[(2,2'-bipyridine-κ^2^<i>N</i>,<i>N</i>')lead(II)]-di-μ-bromido]","","- C10 H8 Br2 N2 Pb -","- C10 H8 Br2 N2 Pb -","- C40 H32 Br8 N8 Pb4 -","4","0.5","","Zhang, Bi-Song; Wu, Chang-Sheng","<i>catena</i>-Poly[[(2,2'-bipyridine-κ^2^<i>N</i>,<i>N</i>')lead(II)]-di-μ-bromido]","IUCrData","2016","1","5","x160782","","10.1107/S2414314616007823","","","0.71073","MoKα","","0.0628","0.0426","","","0.086","0.1236","","","","","","1.211","","","","has coordinates,has Fobs","183619","2020-10-21","18:00:00",""
"1543455","18.2964","0.0014","7.1388","0.0006","10.3574","0.0006","90","","90","","90","","1352.82","0.17","295","2","295","2","","","","","","","","4","P n a 21","P 2c -2n","33","","Piperazin-1-ium 4-aminobenzoate monohydrate","","- C11 H19 N3 O3 -","- C11 H19 N3 O3 -","- C44 H76 N12 O12 -","4","1","SJ4036","Sivakumar, P.; Mani, A.; Sudhahar, S.; Israel, S.; Chakkaravarthi, G.","Piperazin-1-ium 4-aminobenzoate monohydrate","IUCrData","2016","1","5","x160819","","10.1107/S2414314616008191","","","0.71073","MoKα","","0.0654","0.0378","","","0.0794","0.0911","","","","","","1.058","","","","has coordinates,has Fobs","183620","2020-10-21","18:00:00",""
"1543456","15.5151","0.0003","7.1752","0.0001","14.4593","0.0003","90","","110.072","0.001","90","","1511.9","0.05","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","<i>N</i>'-[(1<i>E</i>)-4-Bromobenzylidene]-5-phenyl-1<i>H</i>-pyrazole-3-carbohydrazide","","- C17 H13 Br N4 O -","- C17 H13 Br N4 O -","- C68 H52 Br4 N16 O4 -","4","1","HB4044","Karrouchi, Khalid; Ramli, Youssef; Taoufik, Jamal; Radi, Smaail; Ansar, Mhammed; Mague, Joel T.","<i>N</i>'-[(1<i>E</i>)-4-Bromobenzylidene]-5-phenyl-1<i>H</i>-pyrazole-3-carbohydrazide","IUCrData","2016","1","5","x160830","","10.1107/S2414314616008300","","","1.54178","CuKα","","0.0333","0.0299","","","0.0737","0.0756","","","","","","1.038","","","","has coordinates,has Fobs","183621","2020-10-21","18:00:00",""
"1543457","4.0634","0.0001","11.9235","0.0003","18.0978","0.0005","90","","96.17","0.002","90","","871.76","0.04","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","5-Bromo-1-methylindoline-2,3-dione","","- C9 H6 Br N O2 -","- C9 H6 Br N O2 -","- C36 H24 Br4 N4 O8 -","4","1","SJ4033","Kharbach, Yassine; Haoudi, Amal; Capet, Frédéric; Mazzah, Ahmed; El Ammari, Lahcen","5-Bromo-1-methylindoline-2,3-dione","IUCrData","2016","1","5","x160792","","10.1107/S2414314616007926","","","0.71073","MoKα","","0.0528","0.0388","","","0.0954","0.1017","","","","","","1.073","","","","has coordinates,has Fobs","183622","2020-10-21","18:00:00",""
"1543458","8.2323","0.0003","12.9269","0.0006","16.6298","0.0008","90","","90","","90","","1769.71","0.13","173","2","173","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","(1<i>S</i>,3<i>R</i>,8<i>R</i>,11<i>S</i>)-2,2,11-Tribromo-10-bromomethyl-3,7,7-trimethyltricyclo[6.4.0.0^1,3^]dodec-9-ene","","- C16 H22 Br4 -","- C16 H22 Br4 -","- C64 H88 Br16 -","4","1","SU4046","Bimoussa, Abdoullah; Auhmani, Aziz; Ait Itto, My Youssef; Daran, Jean-Claude; Auhmani, Abdelwahed","(1<i>S</i>,3<i>R</i>,8<i>R</i>,11<i>S</i>)-2,2,11-Tribromo-10-bromomethyl-3,7,7-trimethyltricyclo[6.4.0.0^1,3^]dodec-9-ene","IUCrData","2016","1","5","x160820","","10.1107/S2414314616008208","","","0.71073","MoKα","","0.0456","0.0331","","","0.0557","0.059","","","","","","1.031","","","","has coordinates,has Fobs","183623","2020-10-21","18:00:00",""
"1543459","13.0967","0.0008","8.1049","0.0004","30.3013","0.0018","90","","97.543","0.003","90","","3188.6","0.3","295","2","295","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","2-Methylpyridinium 2-carboxybenzoate‒benzene-1,2-dicarboxylic acid (2/1)","","- C18 H16 N O6 -","- C18 H16 N O6 -","- C144 H128 N8 O48 -","8","1","SJ4037","Sivakumar, P.; Sudhahar, S.; Gunasekaran, B.; Israel, S.; Chakkaravarthi, G.","2-Methylpyridinium 2-carboxybenzoate‒benzene-1,2-dicarboxylic acid (2/1)","IUCrData","2016","1","5","x160817","","10.1107/S2414314616008178","","","0.71073","MoKα","","0.1097","0.0463","","","0.1093","0.1389","","","","","","0.999","","","","has coordinates,has Fobs","183624","2020-10-21","18:00:00",""
"1543460","7.3951","0.0004","9.0021","0.0004","10.5163","0.0004","97.298","0.003","92.096","0.003","90.4322","0.0018","693.9","0.06","100","1","100","1","","","","","","","","4","P -1","-P 1","2","","2-Amino-4-methoxy-6-methylpyrimidinium hydrogen phthalate","","- C14 H15 N3 O5 -","- C14 H15 N3 O5 -","- C28 H30 N6 O10 -","2","1","SU4043","Sangeetha, Ramalingam; Edison, Bellarmin; Thanikasalam, Kanagasabapathy; Kavitha, Savaridasson Jose; Balasubramani, Kasthuri","2-Amino-4-methoxy-6-methylpyrimidinium hydrogen phthalate","IUCrData","2016","1","5","x160794","","10.1107/S241431461600794X","","","0.71073","MoKα","","0.0767","0.0576","","","0.1713","0.209","","","","","","1.119","","","","has coordinates,has Fobs","183625","2020-10-21","18:00:00",""
"1543461","7.9149","0.0003","9.3676","0.0004","21.6431","0.0008","90","","90","","90","","1604.7","0.11","213","2","213","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(<i>E</i>)-1-(Pyridin-4-yl)propan-1-one oxime","","- C8 H10 N2 O -","- C8 H10 N2 O -","- C64 H80 N16 O8 -","8","2","","Eitel, Michael; Schollmeyer, Dieter; Koch, Pierre","(<i>E</i>)-1-(Pyridin-4-yl)propan-1-one oxime","IUCrData","2016","1","5","x160803","","10.1107/S2414314616008038","","","1.54178","CuKα","","0.0325","0.031","","","0.0824","0.0884","","","","","","1.115","","","","has coordinates,has Fobs","183626","2020-10-21","18:00:00",""
"1543462","12.4858","0.0006","14.0212","0.0006","9.848","0.0004","90","","98.179","0.001","90","","1706.51","0.13","183","2","183","2","","","","","","","","6","C 1 c 1","C -2yc","9","","1,3-Dimethoxy-2-methylimidazolium bis(trifluoromethanesulfonyl)imide","","- C8 H11 F6 N3 O6 S2 -","- C8 H11 F6 N3 O6 S2 -","- C32 H44 F24 N12 O24 S8 -","4","1","HB4048","Partl, Gabriel; Lampl, Martin; Laus, Gerhard; Wurst, Klaus; Huppertz, Hubert; Schottenberger, Herwig","1,3-Dimethoxy-2-methylimidazolium bis(trifluoromethanesulfonyl)imide","IUCrData","2016","1","5","x160824","","10.1107/S2414314616008245","","","0.71073","MoKα","","0.0334","0.0326","","","0.0906","0.0915","","","","","","1.051","","","","has coordinates,has Fobs","183627","2020-10-21","18:00:00",""
"1543463","16.1899","0.0012","18.2778","0.0014","27.093","0.002","90","","101.513","0.002","90","","7855.9","1","120","","120","","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C138 H178 Cl N2 Na Ni6 O52 Si12 -","- C138 H178 Cl N2 Na Ni6 O52 Si12 -","- C276 H356 Cl2 N4 Na2 Ni12 O104 Si24 -","2","0.5","","Bilyachenko, Alexey N.; Yalymov, Alexey I.; Shul'pina, Lidia S.; Mandelli, Dalmo; Korlyukov, Alexander A.; Vologzhanina, Anna V.; Es'kova, Marina A.; Shubina, Elena S.; Levitsky, Mikhail M.; Shul'pin, Georgiy B.","Novel Cage-Like Hexanuclear Nickel(II) Silsesquioxane. Synthesis, Structure, and Catalytic Activity in Oxidations with Peroxides.","Molecules (Basel, Switzerland)","2016","21","5","665","","10.3390/molecules21050665","","","0.71073","MoKα","","0.1883","0.0823","","","0.1614","0.205","","","","","","1.006","","","","has coordinates,has disorder","183650","2020-10-21","18:00:00",""
"1543464","18.5357","0.0005","20.6392","0.001","14.1552","0.0007","90","","90","","90","","5415.2","0.4","198","2","198","2","","","","","","","","7","C m c 21","C 2c -2","36","","","","- C59 H52 B4 Cl2 N4 O8 S2 -","- C59 H52 B4 Cl2 N4 O8 S2 -","- C236 H208 B16 Cl8 N16 O32 S8 -","4","0.5","","Ito, Suguru; Ono, Kosuke; Johmoto, Kohei; Uekusa, Hidehiro; Iwasawa, Nobuharu","Switching of the solid-state guest selectivity: solvent-dependent selective guest inclusion in a crystalline macrocyclic boronic ester","Chem. Sci.","2016","7","9","5765","","10.1039/C5SC04766H","","","1.54186","CuKα","","0.0965","0.0691","","","0.1682","0.219","","","","","","1.142","","","","has coordinates,has disorder","186335","2020-10-21","18:00:00",""
"1543465","13.734","0.0006","14.1169","0.0005","20.8001","0.0007","90","","122.833","0.002","90","","3388.5","0.2","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C58 H52 B4 Cl12 N4 O8 S2 -","- C58 H52 B4 Cl12 N4 O8 S2 -","- C116 H104 B8 Cl24 N8 O16 S4 -","2","0.5","","Ito, Suguru; Ono, Kosuke; Johmoto, Kohei; Uekusa, Hidehiro; Iwasawa, Nobuharu","Switching of the solid-state guest selectivity: solvent-dependent selective guest inclusion in a crystalline macrocyclic boronic ester","Chem. Sci.","2016","7","9","5765","","10.1039/C5SC04766H","","","1.54186","CuKα","","0.063","0.0518","","","0.127","0.1371","","","","","","1.149","","","","has coordinates,has disorder","186335","2020-10-21","18:00:00",""
"1543466","10.54186","0.00019","12.9408","0.0002","14.3073","0.0003","69.8702","0.0007","73.699","0.0007","79.771","0.0007","1751.79","0.06","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C62 H54 B4 Cl12 N4 O8 S2 -","- C62 H54 B4 Cl12.06 N4 O8 S2 -","- C62 H54 B4 Cl12.06 N4 O8 S2 -","1","0.5","","Ito, Suguru; Ono, Kosuke; Johmoto, Kohei; Uekusa, Hidehiro; Iwasawa, Nobuharu","Switching of the solid-state guest selectivity: solvent-dependent selective guest inclusion in a crystalline macrocyclic boronic ester","Chem. Sci.","2016","7","9","5765","","10.1039/C5SC04766H","","","1.54186","CuKα","","0.0769","0.0514","","","0.1284","0.1637","","","","","","1.12","","","","has coordinates,has disorder","186335","2020-10-21","18:00:00",""
"1543467","13.7207","0.0003","14.0837","0.0003","20.4986","0.0003","90","","122.84","0.001","90","","3328.08","0.12","93","2","93","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C49 H45 B4 Cl15 N4 O8 S2 -","- C49 H45 B4 Cl15 N4 O8 S2 -","- C98 H90 B8 Cl30 N8 O16 S4 -","2","0.5","","Ito, Suguru; Ono, Kosuke; Johmoto, Kohei; Uekusa, Hidehiro; Iwasawa, Nobuharu","Switching of the solid-state guest selectivity: solvent-dependent selective guest inclusion in a crystalline macrocyclic boronic ester","Chem. Sci.","2016","7","9","5765","","10.1039/C5SC04766H","","","1.54186","CuKα","","0.0536","0.0481","","","0.1183","0.1233","","","","","","1.077","","","","has coordinates,has disorder","186335","2020-10-21","18:00:00",""
"1543468","13.6699","0.0007","14.0308","0.0009","20.6325","0.0009","90","","122.572","0.003","90","","3334.9","0.3","173","2","173","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C56 H50 B4 Cl12 N4 O8 S3 -","- C56 H50 B4 Cl12 N4 O8 S3 -","- C112 H100 B8 Cl24 N8 O16 S6 -","2","0.5","","Ito, Suguru; Ono, Kosuke; Johmoto, Kohei; Uekusa, Hidehiro; Iwasawa, Nobuharu","Switching of the solid-state guest selectivity: solvent-dependent selective guest inclusion in a crystalline macrocyclic boronic ester","Chem. Sci.","2016","7","9","5765","","10.1039/C5SC04766H","","","0.71075","MoKα","","0.0704","0.0503","","","0.1339","0.1473","","","","","","1.047","","","","has coordinates,has disorder","186335","2020-10-21","18:00:00",""
"1543469","13.6823","0.0012","14.0543","0.0013","20.5851","0.0014","90","","122.711","0.004","90","","3330.6","0.5","173","2","173","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C56 H50 B4 Cl12 N4 O9 S2 -","- C56 H50 B4 Cl12 N4 O9 S2 -","- C112 H100 B8 Cl24 N8 O18 S4 -","2","0.5","","Ito, Suguru; Ono, Kosuke; Johmoto, Kohei; Uekusa, Hidehiro; Iwasawa, Nobuharu","Switching of the solid-state guest selectivity: solvent-dependent selective guest inclusion in a crystalline macrocyclic boronic ester","Chem. Sci.","2016","7","9","5765","","10.1039/C5SC04766H","","","0.71075","MoKα","","0.0614","0.0502","","","0.1366","0.1455","","","","","","1.05","","","","has coordinates,has disorder","186335","2020-10-21","18:00:00",""
"1543470","13.6829","0.001","14.0362","0.001","20.6735","0.0011","90","","122.667","0.003","90","","3342.4","0.4","173","2","173","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C57 H51 B4 Cl12 N5 O8 S2 -","- C57 H51 B4 Cl12 N5 O8 S2 -","- C114 H102 B8 Cl24 N10 O16 S4 -","2","0.5","","Ito, Suguru; Ono, Kosuke; Johmoto, Kohei; Uekusa, Hidehiro; Iwasawa, Nobuharu","Switching of the solid-state guest selectivity: solvent-dependent selective guest inclusion in a crystalline macrocyclic boronic ester","Chem. Sci.","2016","7","9","5765","","10.1039/C5SC04766H","","","0.71075","MoKα","","0.0668","0.0563","","","0.1492","0.1576","","","","","","1.052","","","","has coordinates,has disorder","186335","2020-10-21","18:00:00",""
"1543471","14.7","0.005","14.543","0.005","22.914","0.005","90","","100.884","0.005","90","","4810","3","210","2","210","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H8.75 K4 O9.125 -","- C24 H8.75 K4 O9.125 -","- C192 H70 K32 O73 -","8","2","","Sikdar, Nivedita; Dutta, Dipak; Haldar, Ritesh; Ray, Turjya; Hazra, Arpan; Bhattacharyya, Aninda Jiban; Maji, Tapas Kumar","Coordination-Driven Fluorescent J-Aggregates in a Perylenetetracarboxylate-Based MOF: Permanent Porosity and Proton Conductivity","The Journal of Physical Chemistry C","2016","120","25","13622","","10.1021/acs.jpcc.6b04347","","","0.71073","MoKα","","0.0813","0.0726","","","0.2024","0.2115","","","","","","1.022","","","","has coordinates,has disorder","186650","2020-10-21","18:00:00",""
"1543472","4.731","0.0001","11.9082","0.0003","13.2907","0.0004","87.354","0.001","82.381","0.001","85.283","0.001","739.17","0.03","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","Ethyl 2-[(5<i>Z</i>)-5-(4-methylbenzylidene)-2,4-dioxo-1,3-thiazolidin-3-yl]acetate","","- C15 H15 N O4 S -","- C15 H15 N O4 S -","- C30 H30 N2 O8 S2 -","2","1","HB4050","Khalid, Karrouchi; Tachallait, Hamza; Khalid, Bougrin; Mague, Joel T.; Ramli, Youssef","Ethyl 2-[(5<i>Z</i>)-5-(4-methylbenzylidene)-2,4-dioxo-1,3-thiazolidin-3-yl]acetate","IUCrData","2016","1","6","x160851","","10.1107/S2414314616008518","","","1.54178","CuKα","","0.0391","0.0366","","","0.0943","0.0956","","","","","","1.067","","","","has coordinates,has disorder,has Fobs","183684","2020-10-21","18:00:00",""
"1543473","4.4576","0.0002","27.6646","0.0011","20.953","0.0008","90","","93.87","0.002","90","","2577.98","0.18","296.15","","296.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","1-Benzyl-5-chloroindoline-2,3-dione","","- C15 H10 Cl N O2 -","- C15 H10 Cl N O2 -","- C120 H80 Cl8 N8 O16 -","8","2","HB4051","Tribak, Zineb; Kandri Rodi, Youssef; Haoudi, Amal; Essassi, El Mokhtar; Capet, Frédéric; Zouihri, Hafid","1-Benzyl-5-chloroindoline-2,3-dione","IUCrData","2016","1","6","x160854","","10.1107/S2414314616008543","","","0.71073","MoKα","","0.0738","0.0431","","","0.1024","0.1175","","","","","","1.02","","","","has coordinates,has Fobs","183685","2020-10-21","18:00:00",""
"1543474","7.6004","0.0003","7.92","0.0003","9.3621","0.0003","113.02","0.001","91.404","0.002","118.35","0.002","440.83","0.03","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","1-(5-Nitro-1<i>H</i>-indazol-1-yl)ethanone","","- C9 H7 N3 O3 -","- C9 H7 N3 O3 -","- C18 H14 N6 O6 -","2","1","ZQ4008","Boulhaoua, Mohammed; Essaghouani, Abdelhanine; Benchidmi, Mohammed; Essassi, El Mokhtar; Mague, Joel T.","1-(5-Nitro-1<i>H</i>-indazol-1-yl)ethanone","IUCrData","2016","1","6","x160939","","10.1107/S2414314616009391","","","1.54178","CuKα","","0.0423","0.0381","","","0.1002","0.1045","","","","","","1.068","","","","has coordinates,has Fobs","183686","2020-10-21","18:00:00",""
"1543475","4.6344","0.0002","12.6284","0.0006","25.3537","0.0012","90","","90","","90","","1483.83","0.12","299","2","299","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","5-Bromo-1-(6-bromohexyl)indoline-2,3-dione","","- C14 H15 Br2 N O2 -","- C14 H15 Br2 N O2 -","- C56 H60 Br8 N4 O8 -","4","1","BT4013","Kharbach, Yassine; Kandri Rodi, Youssef; Haoudi, Amal; Essassi, El Mokhtar; Capet, Frédéric; Zouihri, Hafid","5-Bromo-1-(6-bromohexyl)indoline-2,3-dione","IUCrData","2016","1","6","x160883","","10.1107/S241431461600883X","","","0.71073","MoKα","","0.0591","0.0333","","","0.0649","0.0717","","","","","","1.018","","","","has coordinates,has Fobs","183687","2020-10-21","18:00:00",""
"1543476","7.2571","0.0002","9.7909","0.0002","12.006","0.0002","112.984","0.001","98.163","0.001","96.909","0.001","762.8","0.03","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","1-((<i>E</i>)-{2-[4-(2-{(1<i>E</i>)-[(Carbamothioylamino)imino]methyl}phenoxy)butoxy]benzylidene}amino)thiourea dimethyl sulfoxide disolvate","","- C24 H36 N6 O4 S4 -","- C24 H36 N6 O4 S4 -","- C24 H36 N6 O4 S4 -","1","0.5","HG4009","Mague, Joel T.; Mohamed, Shaaban K.; Akkurt, Mehmet; Abdel-Raheem, Eman M. M.; Albayati, Mustafa R.","1-((<i>E</i>)-{2-[4-(2-{(1<i>E</i>)-[(carbamothioylamino)imino]methyl}phenoxy)butoxy]benzylidene}amino)thiourea dimethyl sulfoxide disolvate","IUCrData","2016","1","6","x160946","","10.1107/S2414314616009469","","","1.54178","CuKα","","0.0596","0.056","","","0.1582","0.1622","","","","","","1.082","","","","has coordinates,has disorder,has Fobs","183688","2020-10-21","18:00:00",""
"1543477","6.0099","0.0003","8.7905","0.0004","9.2603","0.0004","91.03","0.002","91.835","0.002","94.878","0.002","487.09","0.04","300","2","300","2","","","","","","","","6","P -1","-P 1","2","","1,1'-(Ethane-1,2-diyl)bis[3-(4-chlorobenzoyl)thiourea]","","- C18 H16 Cl2 N4 O2 S2 -","- C18 H16 Cl2 N4 O2 S2 -","- C18 H16 Cl2 N4 O2 S2 -","1","0.5","SJ4038","Abusaadiya, Salima M.; Yamin, Bohari M.; Ngatiman, Fadzlee; Hasbullah, Siti Aishah","1,1'-(Ethane-1,2-diyl)bis[3-(4-chlorobenzoyl)thiourea]","IUCrData","2016","1","6","x160927","","10.1107/S2414314616009275","","","0.71073","MoKα","","0.0476","0.0356","","","0.0859","0.0944","","","","","","1.056","","","","has coordinates,has Fobs","183689","2020-10-21","18:00:00",""
"1543478","8.0416","0.0008","9.4577","0.001","9.7397","0.001","74.168","0.002","84.636","0.002","78.731","0.002","698.28","0.12","150","2","150","2","","","","","","","","3","P -1","-P 1","2","","Methyl 8-oxo-2-phenyl-1-oxaspiro[4.5]deca-2,6,9-triene-3-carboxylate","","- C17 H14 O4 -","- C17 H14 O4 -","- C34 H28 O8 -","2","1","","Gomes, Ralph C.; de Simoni, Deborah; Coelho, Fernando","Methyl 8-oxo-2-phenyl-1-oxaspiro[4.5]deca-2,6,9-triene-3-carboxylate","IUCrData","2016","1","6","x160925","","10.1107/S2414314616009251","","","0.71073","MoKα","","0.0418","0.0391","","","0.096","0.0985","","","","","","1.048","","","","has coordinates,has Fobs","183690","2020-10-21","18:00:00",""
"1543479","9.7953","0.0003","12.4179","0.0003","14.4833","0.0004","90","","107.49","0.001","90","","1680.26","0.08","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","5-Acetamido-1<i>H</i>-pyrazole-4-carboxamide monohydrate","","- C6 H10 N4 O3 -","- C6 H10 N4 O3 -","- C48 H80 N32 O24 -","8","2","TK4015","El Ghayati, Lhoussaine; Ramli, Youssef; Essassi, El Mokhtar; Taha, Mohamed Labd; Mague, Joel T.","5-Acetamido-1<i>H</i>-pyrazole-4-carboxamide monohydrate","IUCrData","2016","1","6","x160947","","10.1107/S2414314616009470","","","1.54178","CuKα","","0.0413","0.0363","","","0.0919","0.096","","","","","","1.068","","","","has coordinates,has Fobs","183691","2020-10-21","18:00:00",""
"1543480","5.094","0.0012","14.738","0.003","15.703","0.003","90","","96.932","0.009","90","","1170.3","0.4","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","2-Chloro-<i>N</i>-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]acetamide","","- C11 H8 Cl2 N2 O S -","- C11 H8 Cl2 N2 O S -","- C44 H32 Cl8 N8 O4 S4 -","4","1","BT4014","Saravanan, K.; Priya, K.; Anand, S. Athavan Alias; Kabilan, S.; Selvanayagam, S.","2-Chloro-<i>N</i>-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]acetamide","IUCrData","2016","1","6","x160903","","10.1107/S2414314616009032","","","0.71073","MoKα","","0.0818","0.0627","","","0.1684","0.1776","","","","","","0.977","","","","has coordinates,has Fobs","183692","2020-10-21","18:00:00",""
"1543481","5.7659","0.0011","8.5396","0.0017","10.804","0.002","81.579","0.006","88.02","0.006","71.167","0.006","498.02","0.17","200","2","200.15","","","","","","","","","3","P -1","-P 1","2","","4-[(<i>E</i>)-4-Hydroxybut-2-en-1-yl]-2-methoxyphenol","","- C11 H14 O3 -","- C11 H14 O3 -","- C22 H28 O6 -","2","1","SJ4039","Knight, Kyle S.; Orick, Michael C.","4-[(<i>E</i>)-4-Hydroxybut-2-en-1-yl]-2-methoxyphenol","IUCrData","2016","1","6","x160936","","10.1107/S2414314616009366","","","0.71073","MoKα","","0.0551","0.0456","","","0.1085","0.1135","","","","","","1.067","","","","has coordinates,has Fobs","183693","2020-10-21","18:00:00",""
"1543482","31.2222","0.0006","7.9107","0.0002","8.3373","0.0002","90","","90","","90","","2059.23","0.08","296.15","","296.15","","","","","","","","","5","P c c n","-P 2ab 2ac","56","","1-Allyl-5-chloroindoline-2,3-dione","","- C11 H8 Cl N O2 -","- C11 H8 Cl N O2 -","- C88 H64 Cl8 N8 O16 -","8","1","HB4053","Tribak, Zineb; Kandri Rodi, Youssef; Haoudi, Amal; Essassi, El Mokhtar; Capet, Fréderic; Zouihri, Hafid","1-Allyl-5-chloroindoline-2,3-dione","IUCrData","2016","1","6","x160862","","10.1107/S2414314616008622","","","0.71073","MoKα","","0.0633","0.0459","","","0.1308","0.1462","","","","","","1.023","","","","has coordinates,has Fobs","183694","2020-10-21","18:00:00",""
"1543483","8.676","0.0003","8.7882","0.0003","9.8142","0.0004","78.2","0.001","73.311","0.001","86.242","0.001","701.61","0.04","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","2-[(2<i>Z</i>)-2-Benzylidene-3-oxo-3,4-dihydro-2<i>H</i>-1,4-benzothiazin-4-yl]acetic acid","","- C17 H13 N O3 S -","- C17 H13 N O3 S -","- C34 H26 N2 O6 S2 -","2","1","HB4054","Sebbar, Nada Kheira; Ellouz, Mohamed; Mague, Joel T.; Ouzidan, Younes; Essassi, El Mokhtar; Zouihri, Hafid","2-[(2<i>Z</i>)-2-Benzylidene-3-oxo-3,4-dihydro-2<i>H</i>-1,4-benzothiazin-4-yl]acetic acid","IUCrData","2016","1","6","x160863","","10.1107/S2414314616008634","","","1.54178","CuKα","","0.0333","0.0321","","","0.0821","0.0831","","","","","","1.044","","","","has coordinates,has Fobs","183695","2020-10-21","18:00:00",""
"1543484","7.8524","0.0004","14.8559","0.0009","12.6646","0.0006","90","","96.964","0.005","90","","1466.48","0.14","295","2","295","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","<i>catena</i>-Poly[[sodium-di-μ-aqua-μ-(boric acid)-μ-succinato-sodium-di-μ-aqua] boric acid monosolvate]","","- C4 H18 B2 Na2 O14 -","- C4 H18 B2 Na2 O14 -","- C16 H72 B8 Na8 O56 -","4","1","WM4014","Rajasekar, Gunasekaran; Vinothkumar, Panchanathan; Sudhahar, Sakkarapani; Chakkaravarthi, Ganesan; Bhaskaran, Arumugam","<i>catena</i>-Poly[[sodium-di-μ-aqua-μ-(boric acid)-μ-succinato-sodium-di-μ-aqua] boric acid monosolvate]","IUCrData","2016","1","6","x160948","","10.1107/S2414314616009482","","","0.71073","MoKα","","0.1153","0.0687","","","0.1338","0.1641","","","","","","1.094","","","","has coordinates,has Fobs","183696","2020-10-21","18:00:00",""
"1543485","7.2648","0.0003","8.7228","0.0004","8.9297","0.0004","82.834","0.002","71.465","0.002","85.478","0.001","531.86","0.04","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","2-(2-Amino-5-methyl-1,2,4-triazolo[1,5-<i>a</i>]pyrimidin-7-yl)acetohydrazide monohydrate","","- C8 H13 N7 O2 -","- C8 H13 N7 O2 -","- C16 H26 N14 O4 -","2","1","HG4007","Lahmidi, Sanae; Sebbar, Nada Kheira; Boulhaoua, Mohammed; Essassi, El Mokhtar; Mague, Joel T.; Zouihri, Hafid","2-(2-Amino-5-methyl-1,2,4-triazolo[1,5-<i>a</i>]pyrimidin-7-yl)acetohydrazide monohydrate","IUCrData","2016","1","6","x160870","","10.1107/S2414314616008701","","","1.54178","CuKα","","0.042","0.0393","","","0.1018","0.1042","","","","","","1.059","","","","has coordinates,has Fobs","183697","2020-10-21","18:00:00",""
"1543486","11.759","0.0011","7.2852","0.0006","15.967","0.0016","90","","105.42","0.003","90","","1318.6","0.2","200","","200","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1,4-Dihydroxy-2,3-dinitro-9,10-anthraquinone","","- C14 H6 N2 O8 -","- C14 H6 N2 O8 -","- C56 H24 N8 O32 -","4","1","SJ4045","Furukawa, Wataru; Takehara, Munenori; Inoue, Yoshinori; Kitamura, Chitoshi","1,4-Dihydroxy-2,3-dinitro-9,10-anthraquinone","IUCrData","2016","1","6","x160906","","10.1107/S2414314616009068","","","0.71073","MoKα","","0.0431","0.0388","","","0.1089","0.114","","","","","","1.062","","","","has coordinates,has Fobs","183698","2020-10-21","18:00:00",""
"1543487","10.5","0.008","7.818","0.006","16.997","0.013","90","","103.529","0.009","90","","1356.6","1.8","110","2","110","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","Co(Tpm)2","","","- C20 H20 Cl2 Co N12 O8 -","- C20 H20 Cl2 Co N12 O8 -","- C40 H40 Cl4 Co2 N24 O16 -","2","0.5","","Zhang, Yuan-Zhu; Gómez-Coca, Silvia; Brown, Andrew J.; Saber, Mohamed R.; Zhang, Xuan; Dunbar, Kim R.","Trigonal antiprismatic Co(ii) single molecule magnets with large uniaxial anisotropies: importance of Raman and tunneling mechanisms","Chem. Sci.","2016","7","10","6519","","10.1039/C6SC02035F","","","0.71073","MoKα","","0.0746","0.0602","","","0.1635","0.176","","","","","","1.078","","","","has coordinates","187023","2020-10-21","18:00:00",""
"1543488","9.7482","0.0008","17.1636","0.0014","18.9136","0.0016","90","","98.5041","0.0009","90","","3129.7","0.4","110","2","110","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","Co(Tpm)2(BPh4)2","","","- C72 H66 B2 Co N14 -","- C72 H66 B2 Co N14 -","- C144 H132 B4 Co2 N28 -","2","0.5","","Zhang, Yuan-Zhu; Gómez-Coca, Silvia; Brown, Andrew J.; Saber, Mohamed R.; Zhang, Xuan; Dunbar, Kim R.","Trigonal antiprismatic Co(ii) single molecule magnets with large uniaxial anisotropies: importance of Raman and tunneling mechanisms","Chem. Sci.","2016","7","10","6519","","10.1039/C6SC02035F","","","0.71073","MoKα","","0.0383","0.0323","","","0.0762","0.0796","","","","","","1.039","","","","has coordinates","187023","2020-10-21","18:00:00",""
"1543489","7.1039","0.0005","8.2133","0.0006","17.348","0.0012","102.227","0.006","90.177","0.006","90.407","0.006","989.2","0.12","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","","","- C21 H22 O3 P2 -","- C21 H22 O3 P2 -","- C42 H44 O6 P4 -","2","1","","Heift, Dominikus; Benkő, Zoltán; Suter, Riccardo; Verel, René; Grützmacher, Hansjörg","The reactivity of acyl chlorides towards sodium phosphaethynolate, Na(OCP): a mechanistic case study","Chem. Sci.","2016","7","9","6125","","10.1039/C6SC01269H","","x-ray","0.71073","MoKα","","0.0539","0.0476","","","0.128","0.1319","","","","","","1.105","","","","has coordinates","186338","2020-10-21","18:00:00",""
"1543490","9.4422","0.0004","10.657","0.0004","24.5794","0.001","90","","100.252","0.0007","90","","2433.83","0.17","100","","100","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","124-thiodiphospholide","sodium(1-thio-2,4-diphosphol-5-mesitoyl-3-olate)","","- C38 H62 Na2 O10 P4 S2 -","- C37.9936 H61.984 Na2 O9.9968 P4 S2 -","- C75.9872 H123.968 Na4 O19.9936 P8 S4 -","2","0.5","","Heift, Dominikus; Benkő, Zoltán; Suter, Riccardo; Verel, René; Grützmacher, Hansjörg","The reactivity of acyl chlorides towards sodium phosphaethynolate, Na(OCP): a mechanistic case study","Chem. Sci.","2016","7","9","6125","","10.1039/C6SC01269H","","x-ray","0.71073","MoKα","","0.0612","0.0501","","","0.1225","0.131","","","","","","1.065","","","","has coordinates,has disorder","186338","2020-10-21","18:00:00",""
"1543491","7.1716","0.0004","8.4029","0.0007","17.181","0.002","80.076","0.009","88.792","0.008","86.067","0.006","1017.43","0.16","100","","100","","","","","","","","","5","P -1","-P 1","2","","1-thio-2,4-diphospholo-5-mesityl-3-mesitoylester","","- C21 H22 O2 P2 S -","- C21 H22 O2 P2 S -","- C42 H44 O4 P4 S2 -","2","1","","Heift, Dominikus; Benkő, Zoltán; Suter, Riccardo; Verel, René; Grützmacher, Hansjörg","The reactivity of acyl chlorides towards sodium phosphaethynolate, Na(OCP): a mechanistic case study","Chem. Sci.","2016","7","9","6125","","10.1039/C6SC01269H","","x-ray","0.71073","MoKα","","0.0929","0.0547","","","0.1027","0.1102","","","","","","0.898","","","","has coordinates","186338","2020-10-21","18:00:00",""
"1543493","24.4","0.001","14.864","0.001","17.233","0.001","90","","108.543","0.003","90","","5925.6","0.6","100","","100","","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C194 H92 Cl4 Li2 N8 Ni2 -","- C193.996 H91.9936 Cl3.992 Li2 N8 Ni2 -","- C387.992 H183.987 Cl7.984 Li4 N16 Ni4 -","2","0.5","","Ueno, Hiroshi; Aoyagi, Shinobu; Yamazaki, Yu; Ohkubo, Kei; Ikuma, Naohiko; Okada, Hiroshi; Kato, Tatsuhisa; Matsuo, Yutaka; Fukuzumi, Shunichi; Kokubo, Ken","Electrochemical reduction of cationic Li+@C60to neutral Li+@C60˙−: isolation and characterisation of endohedral [60]fulleride","Chem. Sci.","2016","7","9","5770","","10.1039/C6SC01209D","","","0.41286","synchrotron","","0.0624","0.0611","","","0.155","0.1569","","","","","","0.964","","","","has coordinates","186337","2020-10-21","18:00:00",""
"1543494","24.505","0.001","14.95","0.002","17.435","0.001","90","","108.799","0.003","90","","6046.6","0.9","250","","250","","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- C194 H92 Cl4 Li2 N8 Ni2 -","- C193.996 H91.9968 Cl3.992 Li2 N8 Ni2 -","- C387.992 H183.994 Cl7.984 Li4 N16 Ni4 -","2","0.25","","Ueno, Hiroshi; Aoyagi, Shinobu; Yamazaki, Yu; Ohkubo, Kei; Ikuma, Naohiko; Okada, Hiroshi; Kato, Tatsuhisa; Matsuo, Yutaka; Fukuzumi, Shunichi; Kokubo, Ken","Electrochemical reduction of cationic Li+@C60to neutral Li+@C60˙−: isolation and characterisation of endohedral [60]fulleride","Chem. Sci.","2016","7","9","5770","","10.1039/C6SC01209D","","","0.41286","synchrotron","","0.0644","0.063","","","0.1484","0.1501","","","","","","0.854","","","","has coordinates","186337","2020-10-21","18:00:00",""
"1543495","12.74672","0.00016","15.92732","0.0002","10.89957","0.00011","90","","90.0415","0.0051","90","","2212.84","0.05","298","","298","","","","","","","","","4","I 1 2/a 1","-I 2ya","15","Li-CH2P(tBu)2","Lithium(bis-tert-butyl)phosphanylmethanide","","- C9 H20 Li P -","- C9 H20 Li P -","- C72 H160 Li8 P8 -","8","1","","Samigullin, Kamil; Bodach, Alexander; Wagner, Matthias; Alig, Edith; Fink, Lothar; Lerner, Hans-Wolfram","Donor-unsupported Phosphanylmethanides Li[CH2PR2] (R = tBu, Ph) – Crystal Structure of Li[CH2PtBu2] Solved by XRPD and DFT-D Calculations","Zeitschrift für anorganische und allgemeine Chemie","2016","642","3","282","287","10.1002/zaac.201500811","powder diffraction","","1.5406","CuKα~1~","","","","","","","","","0.00765","1.181","","","","","","","has coordinates","275233","2022-05-08","23:34:31",""
"1543496","7.7437","0.0016","24.157","0.005","14.585","0.003","90","","91.656","0.004","90","","2727.2","1","173.15","","173.15","","","","","","","","","3","P 1 n 1","P -2yac","7","","","","- C58 H56 O20 -","- C58 H56 O20 -","- C116 H112 O40 -","2","1","","Ren, Wen-Sheng; Zhao, Liang; Wang, Mei-Xiang","Functionalized O6-Corona[6]arenes: Synthesis, Structure, and Fullerene Complexation Property.","Organic letters","2016","18","13","3126","3129","10.1021/acs.orglett.6b01330","","","0.71073","MoKα","","0.0923","0.0793","","","0.1723","0.1833","","","","","","1.103","","","","has coordinates,has disorder","184950","2020-10-21","18:00:00",""
"1543497","10.8375","0.0004","9.941","0.0003","11.3983","0.0004","90","","101.181","0.004","90","","1204.69","0.07","293","","293","","","","","","","","","4","P 1 21 1","P 2yb","4","","dimethyl 2-((4-tert-butyl-5-morpholinooxazol-2-yl)(phenyl)methyl)malonate","","- C23 H30 N2 O6 -","- C23 H29 N2 O6 -","- C46 H58 N4 O12 -","2","1","","Luo, Weiwei; Yuan, Xiao; Lin, Lili; Zhou, Pengfei; Liu, Xiaohua; Feng, Xiaoming","A N,N′-dioxide/Mg(OTf)2complex catalyzed enantioselective α-addition of isocyanides to alkylidene malonates","Chem. Sci.","2016","7","7","4736","","10.1039/C6SC00689B","","x-ray","1.54184","CuKα","","0.0762","0.0735","","","0.1906","0.1967","","","","","","1.051","","","","has coordinates","185124","2020-10-21","18:00:00",""
"1543502","4.435","0.0002","5.4251","0.0003","48.735","0.003","90","","90","","90","","1172.58","0.11","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C12 H11 Br O4 -","- C12 H11 Br O4 -","- C48 H44 Br4 O16 -","4","1","","Ghosh, Arun K.; Nyalapatla, Prasanth R.","Correction to Enantioselective Total Synthesis of (+)-Amphirionin-4.","Organic letters","2016","18","14","3509","","10.1021/acs.orglett.6b01620","","","1.54178","CuKα","","0.0721","0.0676","","","0.1913","0.2008","","","","","","1.107","","","","has coordinates","184984","2020-10-21","18:00:00",""
"1543503","8.0353","0.0004","8.3496","0.0005","17.1096","0.0011","84.491","0.003","78.086","0.003","65.126","0.002","1018.94","0.1","296.15","","296.15","","","","","","","","","6","P -1","-P 1","2","","1-(12-Bromododecyl)-5-chloroindoline-2,3-dione","","- C20 H27 Br Cl N O2 -","- C20 H27 Br Cl N O2 -","- C40 H54 Br2 Cl2 N2 O4 -","2","1","FF4007","Tribak, Zineb; Kandri Rodi, Youssef; Haoudi, Amal; Essassi, El Mokhtar; Capet, Fréderic; Zouihri, Hafid","1-(12-Bromododecyl)-5-chloroindoline-2,3-dione","IUCrData","2016","1","6","x160971","","10.1107/S2414314616009718","","","0.71073","MoKα","","0.0683","0.0456","","","0.1098","0.1206","","","","","","1.036","","","","has coordinates,has Fobs","183849","2020-10-21","18:00:00",""
"1543504","18.28","0.014","5.493","0.004","18.298","0.014","90","","96.02","0.006","90","","1827","2","93","","93","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","4'-(3,4-Dimethoxyphenyl)-2,2':6',2''-terpyridine","","- C23 H19 N3 O2 -","- C23 H19 N3 O2 -","- C92 H76 N12 O8 -","4","1","","Takase, Tsugiko; Soga, Yuka; Oyama, Dai","4'-(3,4-Dimethoxyphenyl)-2,2':6',2''-terpyridine","IUCrData","2016","1","6","x160950","","10.1107/S2414314616009500","","","0.71075","MoKα","","","0.0998","","","","0.2237","","","","","","1.144","","","","has coordinates,has Fobs","183850","2020-10-21","18:00:00",""
"1543505","7.1617","0.0004","7.2787","0.0004","14.4257","0.0008","77.0382","0.0009","78.7453","0.0008","61.5479","0.0007","640.88","0.06","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","3,4-Bis(6-bromopyridin-3-yl)-1,2,5-thiadiazole","","- C12 H6 Br2 N4 S -","- C12 H6 Br2 N4 S -","- C24 H12 Br4 N8 S2 -","2","1","IS4008","Becker, Lisanne; Altenburger, Kai; Spannenberg, Anke; Arndt, Perdita; Rosenthal, Uwe","A second polymorph of 3,4-bis(6-bromopyridin-3-yl)-1,2,5-thiadiazole","IUCrData","2016","1","6","x160960","","10.1107/S2414314616009603","","","0.71073","MoKα","","0.03","0.0262","","","0.0727","0.0747","","","","","","1.061","","","","has coordinates,has Fobs","183851","2020-10-21","18:00:00",""
"1543506","6.3586","0.0004","13.6276","0.0009","11.7469","0.0008","90","","104.559","0.002","90","","985.21","0.11","295","2","295","2","","","","","","","","4","P 1 21 1","P 2yb","4","","3-Methylpyridinium 4-nitrobenzoate‒4-nitrobenzoic acid (1/1)","","- C20 H17 N3 O8 -","- C20 H17 N3 O8 -","- C40 H34 N6 O16 -","2","1","VM4009","Sivakumar, P.; Niranjana Devi, R.; Israel, S.; Chakkaravarthi, G.","3-Methylpyridinium 4-nitrobenzoate‒4-nitrobenzoic acid (1/1)","IUCrData","2016","1","6","x160979","","10.1107/S2414314616009792","","","0.71073","MoKα","","0.078","0.0452","","","0.1005","0.1172","","","","","","1.085","","","","has coordinates,has Fobs","183852","2020-10-21","18:00:00",""
"1543512","25.72","0.002","7.5763","0.0007","7.2135","0.0007","90","","92.727","0.003","90","","1404","0.2","173","","173","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H5 F5 I N3 -","- C14 H5 F5 I N3 -","- C56 H20 F20 I4 N12 -","4","1","","Maugeri, Leonardo; Asencio-Hernández, Julia; Lébl, Tomáš; Cordes, David B.; Slawin, Alexandra M. Z.; Delsuc, Marc-André; Philp, Douglas","Neutral iodotriazoles as scaffolds for stable halogen-bonded assemblies in solution","Chem. Sci.","2016","7","10","6422","","10.1039/C6SC01974A","","","0.71075","MoKα","","","0.017","","","","0.0495","","","","","","1.084","","","","has coordinates","187020","2020-10-21","18:00:00",""
"1543513","40.169","0.006","11.394","0.0013","9.9435","0.0012","90","","95.318","0.003","90","","4531.4","1","173","","173","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C22 H21 F5 I N3 -","- C22 H21 F5 I N3 -","- C176 H168 F40 I8 N24 -","8","1","","Maugeri, Leonardo; Asencio-Hernández, Julia; Lébl, Tomáš; Cordes, David B.; Slawin, Alexandra M. Z.; Delsuc, Marc-André; Philp, Douglas","Neutral iodotriazoles as scaffolds for stable halogen-bonded assemblies in solution","Chem. Sci.","2016","7","10","6422","","10.1039/C6SC01974A","","","0.71075","MoKα","","0.0403","0.0372","","","0.1093","0.115","","","","","","1.069","","","","has coordinates","187020","2020-10-21","18:00:00",""
"1543514","10.646","0.006","11.018","0.006","12.134","0.005","93.081","0.007","96.436","0.012","113.187","0.011","1292.6","1.2","93","","93","","","","","","","","","6","P -1","-P 1","2","","","","- C27 H25 F4 I N4 O -","- C27 H25 F4 I N4 O -","- C54 H50 F8 I2 N8 O2 -","2","1","","Maugeri, Leonardo; Asencio-Hernández, Julia; Lébl, Tomáš; Cordes, David B.; Slawin, Alexandra M. Z.; Delsuc, Marc-André; Philp, Douglas","Neutral iodotriazoles as scaffolds for stable halogen-bonded assemblies in solution","Chem. Sci.","2016","7","10","6422","","10.1039/C6SC01974A","","","0.71075","MoKα","","0.0402","0.0381","","","0.0926","0.0983","","","","","","0.917","","","","has coordinates","187020","2020-10-21","18:00:00",""
"1543515","7.1624","0.0011","7.4352","0.0013","33.215","0.005","90","","90","","90","","1768.8","0.5","173","","173","","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C20 H10 F4 I N3 -","- C20 H10 F4 I N3 -","- C80 H40 F16 I4 N12 -","4","1","","Maugeri, Leonardo; Asencio-Hernández, Julia; Lébl, Tomáš; Cordes, David B.; Slawin, Alexandra M. Z.; Delsuc, Marc-André; Philp, Douglas","Neutral iodotriazoles as scaffolds for stable halogen-bonded assemblies in solution","Chem. Sci.","2016","7","10","6422","","10.1039/C6SC01974A","","","0.71075","MoKα","","0.0234","0.0219","","","0.0517","0.052","","","","","","1.011","","","","has coordinates","187020","2020-10-21","18:00:00",""
"1543516","11.9881","0.0006","17.8532","0.0007","12.4745","0.0007","90","","109.769","0.006","90","","2512.5","0.2","102","2","102","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C42 H72 N4 Ni2 Zn4 -","- C42 H72 N4 Ni2 Zn4 -","- C84 H144 N8 Ni4 Zn8 -","2","0.5","","Freitag, Kerstin; Molon, Mariusz; Jerabek, Paul; Dilchert, Katharina; Rösler, Christoph; Seidel, Rüdiger W.; Gemel, Christian; Frenking, Gernot; Fischer, Roland A.","Zn⋯Zn interactions at nickel and palladium centers","Chem. Sci.","2016","7","10","6413","","10.1039/C6SC02106A","","","1.54184","CuKα","","0.0523","0.0371","","","0.093","0.1054","","","","","","1.056","","","","has coordinates","187022","2020-10-21","18:00:00",""
"1543517","9.2494","0.0004","10.0833","0.0004","15.9728","0.0006","100.172","0.003","92.322","0.003","109.339","0.004","1375.66","0.1","107","2","107","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H45 Ni P3 Zn2 -","- C20 H45 Ni P3 Zn2 -","- C40 H90 Ni2 P6 Zn4 -","2","1","","Freitag, Kerstin; Molon, Mariusz; Jerabek, Paul; Dilchert, Katharina; Rösler, Christoph; Seidel, Rüdiger W.; Gemel, Christian; Frenking, Gernot; Fischer, Roland A.","Zn⋯Zn interactions at nickel and palladium centers","Chem. Sci.","2016","7","10","6413","","10.1039/C6SC02106A","","","0.71073","MoKα","","0.0407","0.0348","","","0.0897","0.0961","","","","","","1.051","","","","has coordinates","187022","2020-10-21","18:00:00",""
"1543518","11.824","0.0009","17.8591","0.001","16.3145","0.0009","90","","92.362","0.005","90","","3442.1","0.4","104","2","104","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C28 H54 Ni P2 Zn4 -","- C28 H54 Ni P2 Zn4 -","- C112 H216 Ni4 P8 Zn16 -","4","1","","Freitag, Kerstin; Molon, Mariusz; Jerabek, Paul; Dilchert, Katharina; Rösler, Christoph; Seidel, Rüdiger W.; Gemel, Christian; Frenking, Gernot; Fischer, Roland A.","Zn⋯Zn interactions at nickel and palladium centers","Chem. Sci.","2016","7","10","6413","","10.1039/C6SC02106A","","","0.71073","MoKα","","0.0671","0.037","","","0.0935","0.0977","","","","","","0.94","","","","has coordinates","187022","2020-10-21","18:00:00",""
"1543519","12.2816","0.0003","13.0205","0.0004","29.8246","0.0008","100.247","0.002","97.965","0.002","90.646","0.002","4644.8","0.2","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C97 H150 P2 Pd3 Zn6 -","- C97.007 H150.008 P2 Pd3 Zn6 -","- C194.014 H300.016 P4 Pd6 Zn12 -","2","1","","Freitag, Kerstin; Molon, Mariusz; Jerabek, Paul; Dilchert, Katharina; Rösler, Christoph; Seidel, Rüdiger W.; Gemel, Christian; Frenking, Gernot; Fischer, Roland A.","Zn⋯Zn interactions at nickel and palladium centers","Chem. Sci.","2016","7","10","6413","","10.1039/C6SC02106A","","","1.54184","CuKα","","0.0472","0.0349","","","0.0841","0.091","","","","","","1.02","","","","has coordinates,has disorder","187022","2020-10-21","18:00:00",""
"1543520","25.6662","0.0006","25.5792","0.0006","35.0042","0.0008","90","","90","","90","","22981","0.9","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C57 H86 N2 Pd Zn4 -","- C57 H86 N2 Pd Zn4 -","- C912 H1376 N32 Pd16 Zn64 -","16","2","","Freitag, Kerstin; Molon, Mariusz; Jerabek, Paul; Dilchert, Katharina; Rösler, Christoph; Seidel, Rüdiger W.; Gemel, Christian; Frenking, Gernot; Fischer, Roland A.","Zn⋯Zn interactions at nickel and palladium centers","Chem. Sci.","2016","7","10","6413","","10.1039/C6SC02106A","","","0.71073","MoKα","","0.127","0.0585","","","0.1308","0.1725","","","","","","1.086","","","","has coordinates,has disorder","187022","2020-10-21","18:00:00",""
"1543526","13.5014","0.0009","15.6835","0.0009","16.226","0.0011","90","","90","","90","","3435.8","0.4","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C35 H38 O15 S -","- C35 H38 O15 S -","- C140 H152 O60 S4 -","4","1","","Che, Qian; Tan, Hongsheng; Han, Xiaoning; Zhang, Xiaomin; Gu, Qianqun; Zhu, Tianjiao; Li, Dehai","Naquihexcin A, a S-Bridged Pyranonaphthoquinone Dimer Bearing an Unsaturated Hexuronic Acid Moiety from a Sponge-Derived Streptomyces sp. HDN-10-293.","Organic letters","2016","18","14","3358","3361","10.1021/acs.orglett.6b01485","","","1.54184","CuKα","","0.0784","0.0613","","","0.1489","0.1646","","","","","","1.037","","","","has coordinates","184980","2020-10-21","18:00:00",""
"1543527","10.7582","0.0003","15.1305","0.0005","20.2832","0.0007","90","","90","","90","","3301.64","0.18","294.59","0.1","294.59","0.1","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C20 H15 N O2 S -","- C20 H15 N O2 S -","- C160 H120 N8 O16 S8 -","8","1","","Chen, Fei; Meng, Qiang; Han, Shang-Qing; Han, Bing","tert-Butyl Hydroperoxide (TBHP)-Initiated Vicinal Sulfonamination of Alkynes: A Radical Annulation toward 3-Sulfonylindoles.","Organic letters","2016","18","14","3330","3333","10.1021/acs.orglett.6b01427","","x-ray","0.71073","MoKα","","0.0662","0.0457","","","0.109","0.124","","","","","","1.079","","","","has coordinates","184982","2020-10-21","18:00:00",""
"1543528","9.7713","0.0007","9.5154","0.0007","11.5372","0.0009","90","","113.738","0.004","90","","981.95","0.13","133","2","133","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C8 H14 N2 O3 -","- C8 H14 N2 O3 -","- C32 H56 N8 O12 -","4","1","","Leiske, Meike N.; Hartlieb, Matthias; Sobotta, Fabian H.; Paulus, Renzo M.; Görls, Helmar; Bellstedt, Peter; Schubert, Ulrich S.","Cationic ring-opening polymerization of protected oxazolidine imines resulting in gradient copolymers of poly(2-oxazoline) and poly(urea)","Polym. Chem.","2016","7","30","4924","","10.1039/C6PY00785F","","","0.71073","MoKα","","0.0802","0.0682","","","0.1284","0.132","","","","","","1.307","","","","has coordinates","185676","2020-10-21","18:00:00",""
"1543529","19.1437","0.0006","7.642","0.0003","13.2619","0.0004","90","","97.369","0.001","90","","1924.14","0.11","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","4,4'-([4,4'-Bipyridine]-1,1'-diium-1,1'-diyl)dibenzoate dihydrate","","- C24 H20 N2 O6 -","- C24 H20 N2 O6 -","- C96 H80 N8 O24 -","4","0.5","PK4006","Rodriguez, Mark A.; Sava Gallis, Dorina F.; Chavez, James S.; Klivansky, Liana M.; Liu, Yi","4,4'-([4,4'-Bipyridine]-1,1'-diium-1,1'-diyl)dibenzoate dihydrate","IUCrData","2016","1","6","x160966","","10.1107/S2414314616009664","","","1.54178","CuKα","","0.0437","0.0408","","","0.1347","0.1388","","","","","","1.116","","","","has coordinates,has Fobs","183946","2020-10-21","18:00:00",""
"1543530","16.51","0.0008","4.459","0.0002","17.5229","0.0008","90","","98.108","0.005","90","","1277.11","0.1","173","2","173","2","","","","","","","","5","P 1 2/n 1","-P 2yac","13","","1,3-Bis(1-methyl-5-thioxo-1,2,4-triazolin-4-yl)urea","","- C7 H10 N8 O S2 -","- C7 H10 N8 O S2 -","- C28 H40 N32 O4 S8 -","4","1","","Laus, Gerhard; Kahlenberg, Volker; Schottenberger, Herwig","1,3-Bis(1-methyl-5-thioxo-1,2,4-triazolin-4-yl)urea","IUCrData","2016","1","6","x160992","","10.1107/S2414314616009925","","","0.71073","MoKα","","0.0406","0.0326","","","0.0731","0.078","","","","","","1.041","","","","has coordinates,has Fobs","183947","2020-10-21","18:00:00",""
"1543531","20.7884","0.0008","3.7215","0.0001","23.8849","0.0009","90","","98.582","0.002","90","","1827.14","0.11","150","2","150","2","","","","","","","","4","P 1 2/n 1","-P 2yac","13","","2-Oxo-1,2-dihydroquinoline-4-carboxylic acid monohydrate","","- C10 H9 N O4 -","- C10 H9 N O4 -","- C80 H72 N8 O32 -","8","2","BH4007","Filali Baba, Yassir; Mague, Joel T.; Kandri Rodi, Youssef; Ouzidan, Younes; Essassi, El Mokhtar; Zouihri, Hafid","2-Oxo-1,2-dihydroquinoline-4-carboxylic acid monohydrate","IUCrData","2016","1","6","x160997","","10.1107/S2414314616009974","","","1.54178","CuKα","","0.0498","0.0408","","","0.1028","0.1099","","","","","","1.04","","","","has coordinates,has disorder,has Fobs","183948","2020-10-21","18:00:00",""
"1543532","3.9098","0.0001","40.7555","0.0015","6.0917","0.0002","90","","93.748","0.001","90","","968.61","0.05","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","(5<i>Z</i>)-5-(4-Chlorobenzylidene)-1,3-thiazolidine-2,4-dione","","- C10 H6 Cl N O2 S -","- C10 H6 Cl N O2 S -","- C40 H24 Cl4 N4 O8 S4 -","4","1","XU4009","Mohamed, Shaaban K.; Mague, Joel T.; Akkurt, Mehmet; Younes, Sabry H. H.; Albayati, Mustafa R.","(5<i>Z</i>)-5-(4-Chlorobenzylidene)-1,3-thiazolidine-2,4-dione","IUCrData","2016","1","6","x160988","","10.1107/S2414314616009883","","","1.54178","CuKα","","0.0354","0.0342","","","0.0873","0.0882","","","","","","1.142","","","","has coordinates,has Fobs","183949","2020-10-21","18:00:00",""
"1543533","4.8087","0.0002","11.0283","0.0005","11.1135","0.0005","108.704","0.003","96.174","0.003","100.533","0.003","540.03","0.04","100","1","100","1","","","","","","","","5","P -1","-P 1","2","","2-Amino-4-methoxy-6-methylpyrimidin-1-ium trifluoroacetate","","- C8 H10 F3 N3 O3 -","- C8 H10 F3 N3 O3 -","- C16 H20 F6 N6 O6 -","2","1","SU4055","Jeevaraj, Muthaiah; Edison, Bellarmin; Kavitha, Savaridasson Jose; Thanikasalam, Kanagasabapathy; Britto, Sebastian; Balasubramani, Kasthuri","2-Amino-4-methoxy-6-methylpyrimidin-1-ium trifluoroacetate","IUCrData","2016","1","6","x161010","","10.1107/S2414314616010105","","","0.71073","MoKα","","0.096","0.0645","","","0.1963","0.2448","","","","","","1.078","","","","has coordinates,has Fobs","183950","2020-10-21","18:00:00",""
"1543534","12.7331","0.0003","12.9694","0.0003","14.6354","0.0003","104.159","0.0006","101.358","0.0006","112.687","0.0006","2044.33","0.08","150","2","150","2","","","","","","","","8","P -1","-P 1","2","","Di-μ-chlorido-bis({4-[bis(trimethylsilyl)amino]-6-chloro-2,2,8,8-tetramethyl- 5,7-bis(trimethylsilyl)-3,5,7-triaza-4,6-diphospha-2,8-disilanon-3-en-4-ido-κ^2^<i>P</i>,<i>P</i>'}palladium(II)) diethyl ether disolvate","","- C44 H128 Cl4 N8 O2 P4 Pd2 Si12 -","- C44 H128 Cl4 N8 O2 P4 Pd2 Si12 -","- C44 H128 Cl4 N8 O2 P4 Pd2 Si12 -","1","0.5","IS4009","Höhne, Martha; Müller, Bernd H.; Spannenberg, Anke; Rosenthal, Uwe","Di-μ-chlorido-bis({4-[bis(trimethylsilyl)amino]-6-chloro-2,2,8,8-tetramethyl-5,7-bis(trimethylsilyl)-3,5,7-triaza-4,6-diphospha-2,8-disilanon-3-en-4-ido-κ^2^<i>P</i>,<i>P</i>'}palladium(II)) diethyl ether disolvate","IUCrData","2016","1","6","x160986","","10.1107/S241431461600986X","","","0.71073","MoKα","","0.032","0.0285","","","0.0728","0.0755","","","","","","1.042","","","","has coordinates,has disorder,has Fobs","183951","2020-10-21","18:00:00",""
"1543535","11.7526","0.0003","10.4082","0.0003","25.5656","0.0007","90","","90","","90","","3127.27","0.15","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","4-[(3-Phenyl-4,5-dihydroisoxazol-5-yl)methyl]-2<i>H</i>-benzo[<i>b</i>][1,4]thiazin-3(4<i>H</i>)-one","","- C18 H16 N2 O2 S -","- C18 H16 N2 O2 S -","- C144 H128 N16 O16 S8 -","8","1","SJ4050","Sebbar, Nada Kheira; Ellouz, Mohamed; Essassi, El Mokhtar; Saadi, Mohamed; El Ammari, Lahcen","4-[(3-Phenyl-4,5-dihydroisoxazol-5-yl)methyl]-2<i>H</i>-benzo[<i>b</i>][1,4]thiazin-3(4<i>H</i>)-one","IUCrData","2016","1","6","x161012","","10.1107/S2414314616010129","","","0.71073","MoKα","","0.0772","0.0415","","","0.0962","0.1163","","","","","","1.016","","","","has coordinates,has Fobs","183952","2020-10-21","18:00:00",""
"1543536","33.4769","0.0017","7.4977","0.0003","9.7916","0.0004","90","","90","","90","","2457.69","0.19","296","2","296","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","1-Methyl-5-nitro-3-phenyl-1<i>H</i>-indazole","","- C14 H11 N3 O2 -","- C14 H11 N3 O2 -","- C112 H88 N24 O16 -","8","2","SJ4047","Naas, Mohammed; Benchidmi, Mohammed; Essassi, El Mokhtar; Saadi, Mohamed; El Ammari, Lahcen","1-Methyl-5-nitro-3-phenyl-1<i>H</i>-indazole","IUCrData","2016","1","6","x160961","","10.1107/S2414314616009615","","","0.71073","MoKα","","0.0906","0.049","","","0.1101","0.13","","","","","","1.01","","","","has coordinates,has Fobs","183953","2020-10-21","18:00:00",""
"1543537","10.857","0.003","26.523","0.008","33.064","0.01","90","","90","","90","","9521","5","298","","298","","","","","","","","","4","F d d d","-F 2uv 2vw","70","","Poly[(2,2'-bipyridine-κ^2^<i>N</i>,<i>N</i>')[μ~4~-2,2'-(1,3-phenylene)bis(imidazol-1-yl)-κ^4^<i>N</i>:<i>N</i>':<i>N</i>'':<i>N</i>''']dicopper(I)]","","- C30 H20 Cu2 N6 -","- C30 H20 Cu2 N6 -","- C480 H320 Cu32 N96 -","16","","WM5300","Zhou, Rui; Meng, Fa-Yan; Li, Xue-Hua","Poly[(2,2'-bipyridine-κ^2^<i>N</i>,<i>N</i>')[μ~4~-2,2'-(1,3-phenylene)bis(imidazol-1-yl)-κ^4^<i>N</i>:<i>N</i>':<i>N</i>'':<i>N</i>''']dicopper(I)]","IUCrData","2016","1","6","x161007","","10.1107/S2414314616010075","","","0.71073","MoKα","","0.049","0.0349","","","0.0775","0.0838","","","","","","1.088","","","","has coordinates,has Fobs","183954","2020-10-21","18:00:00",""
"1543538","5.8132","0.0008","19.763","0.002","11.656","0.001","90","","96.85","0.01","90","","1329.6","0.3","299","2","299","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","4-bromophenyl dipyrromethane","2,2'-[(4-Bromophenyl)methylene]bis(1<i>H</i>-pyrrole)","","- C15 H13 Br N2 -","- C15 H13 Br N2 -","- C60 H52 Br4 N8 -","4","1","SU4054","Bauri, A. K.; Foro, Sabine; Nguyen, Nhu Do Quynh","2,2'-[(4-Bromophenyl)methylene]bis(1<i>H</i>-pyrrole)","IUCrData","2016","1","6","x161005","","10.1107/S2414314616010051","","","0.71073","MoKα","","0.0835","0.0631","","","0.1641","0.1762","","","","","","1.2","","","","has coordinates,has Fobs","183955","2020-10-21","18:00:00",""
"1543539","19.564","0.016","9.127","0.008","11.001","0.01","90","","94.88","0.04","90","","1957","3","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(4<i>S</i>,5<i>R</i>)-3-(4-Chlorophenyl)-5-(4-methoxyphenyl)-4-methyl-1-phenyl-4,5-dihydro-1<i>H</i>-pyrazole","","- C23 H21 Cl N2 O -","- C23 H21 Cl N2 O -","- C92 H84 Cl4 N8 O4 -","4","1","BT4016","Ben Soumane, Yahya; Baouid, Abdesselam; El Hadrami, El Mestafa; El Ammari, Lahcen; Saadi, Mohamed; Berraho, Moha","(4<i>S</i>,5<i>R</i>)-3-(4-Chlorophenyl)-5-(4-methoxyphenyl)-4-methyl-1-phenyl-4,5-dihydro-1<i>H</i>-pyrazole","IUCrData","2016","1","6","x161022","","10.1107/S2414314616010221","","","0.71073","MoKα","","0.1321","0.0485","","","0.0968","0.1233","","","","","","0.966","","","","has coordinates,has Fobs","183956","2020-10-21","18:00:00",""
"1543540","8.6905","0.0002","9.0249","0.0003","10.824","0.0003","68.803","0.001","78.52","0.001","72.98","0.001","752.69","0.04","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","4-(2-Oxopropylidene)-1,3-bis(prop-2-yn-1-yl)-2,3,4,5-tetrahydro-1<i>H</i>-1,5-benzodiazepin-2-one","","- C18 H16 N2 O2 -","- C18 H16 N2 O2 -","- C36 H32 N4 O4 -","2","1","SJ4049","Sebhaoui, Jihad; El Bakri, Youness; Rayni, Ibtissam; Essassi, El Mokhtar; Mague, Joel T.","4-(2-Oxopropyl)-1,3-bis(prop-2-yn-1-yl)-2,3,4,5-tetrahydro-1,5-benzodiazepin-2(1<i>H</i>)-one","IUCrData","2016","1","6","x161013","","10.1107/S2414314616010130","","","1.54178","CuKα","","0.0412","0.0381","","","0.1043","0.1074","","","","","","1.048","","","","has coordinates,has Fobs","183957","2020-10-21","18:00:00",""
"1543541","11.8614","0.0004","15.8834","0.0006","6.7495","0.0002","90","","102.411","0.002","90","","1241.89","0.07","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Ethyl 2-[(<i>Z</i>)-2-(2-nitrophenyl)hydrazinylidene]propanoate","","- C11 H13 N3 O4 -","- C11 H13 N3 O4 -","- C44 H52 N12 O16 -","4","1","BT4015","Errossafi, Amal; El Kihel, Abdellatif; Guesmi, Salaheddine; Saadi, Mohamed; El Ammari, Lahcen","Ethyl 2-[(<i>Z</i>)-2-(2-nitrophenyl)hydrazinylidene]propanoate","IUCrData","2016","1","6","x161015","","10.1107/S2414314616010154","","","0.71073","MoKα","","0.1033","0.0488","","","0.1134","0.146","","","","","","1.022","","","","has coordinates,has Fobs","183958","2020-10-21","18:00:00",""
"1543542","6.3365","0.0004","21.5911","0.0018","6.6167","0.0006","90","","100.661","0.007","90","","889.62","0.12","200","1","200","1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","caesium salicylate monohydrate","Poly[(μ~2~-aqua-μ~4~-(salicylato-κ^4^<i>O</i>^1^:<i>O</i>^1^:<i>O</i>^1'^:\ <i>O</i>^2^)-caesium]","","- C7 H7 Cs O4 -","- C7 H7 Cs O4 -","- C28 H28 Cs4 O16 -","4","1","WM4017","Smith, Graham","A second monoclinic polymorph of caesium salicylate monohydrate","IUCrData","2016","1","6","x160980","","10.1107/S2414314616009809","","","0.71073","MoKα","","0.043","0.0328","","","0.0618","0.067","","","","","","1.015","","","","has coordinates,has Fobs","183959","2020-10-21","18:00:00",""
"1543543","7.6682","0.0003","16.5504","0.0006","16.2358","0.0007","90","","93.775","0.001","90","","2056.04","0.14","295","2","295","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Bis(2-amino-1-methyl-4-oxo-1<i>H</i>-imidazol-3-ium) 3-nitrobenzene-1,2-dioate monohydrate","","- C16 H21 N7 O9 -","- C16 H21 N7 O9 -","- C64 H84 N28 O36 -","4","1","","Thayanithi, V.; Kumar, P. Praveen; Gunasekaran, B.","Bis(creatininium) 3-nitrophthalate monohydrate","IUCrData","2016","1","6","x160989","","10.1107/S2414314616009895","","","0.71073","MoKα","","0.039","0.0339","","","0.0915","0.0971","","","","","","1.038","","","","has coordinates","183960","2020-10-21","18:00:00",""
"1543544","10.5214","0.0009","10.5369","0.0009","7.4348","0.0006","90","","90","","90","","824.24","0.12","100","2","100","2","","","","","","","","4","C c c a","-C 2a 2ac","68","","","","- Ba H2 O5 Te -","- Ba O5 Te -","- Ba8 O40 Te8 -","8","","","Matthias Weila; Berthold Stogera; Christian Gierl-Mayerb; Eugen Libowitzkyc","Structural insights into the thermal decomposition sequence of barium tetrahydrogenorthotellurate(VI), Ba[H4TeO6]","Journal of Solid State Chemistry","2016","241","","187","197","10.1016/j.jssc.2016.06.010","","","0.71073","MoKα","","0.0676","0.0374","","","0.0803","0.0879","","","","","","1.164","","","","has coordinates","211137","2020-10-21","18:00:00",""
"1543545","7.8271","0.0007","7.9998","0.0007","8.4624","0.0008","90","","106.443","0.002","90","","508.2","0.08","295","2","295","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Barium tetrahydrogenhexaoxotellurate(VI)","","- Ba H4 O6 Te -","- Ba O6 Te -","- Ba4 O24 Te4 -","4","1","","Matthias Weila; Berthold Stogera; Christian Gierl-Mayerb; Eugen Libowitzkyc","Structural insights into the thermal decomposition sequence of barium tetrahydrogenorthotellurate(VI), Ba[H4TeO6]","Journal of Solid State Chemistry","2016","241","","187","197","10.1016/j.jssc.2016.06.010","","","0.71073","MoKα","","0.0273","0.0244","","","0.0643","0.0659","","","","","","1.094","","","","has coordinates","211137","2020-10-21","18:00:00",""
"1543546","5.0437","0.0007","15.199","0.002","8.7291","0.0011","90","","90.419","0.002","90","","669.15","0.15","295","2","295","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- Ba H2 O8 Te2 -","- Ba H2 O8 Te2 -","- Ba4 H8 O32 Te8 -","4","1","","Matthias Weila; Berthold Stogera; Christian Gierl-Mayerb; Eugen Libowitzkyc","Structural insights into the thermal decomposition sequence of barium tetrahydrogenorthotellurate(VI), Ba[H4TeO6]","Journal of Solid State Chemistry","2016","241","","187","197","10.1016/j.jssc.2016.06.010","","","0.71073","MoKα","","0.0376","0.0311","","","0.0588","0.0609","","","","","","1.118","","","","has coordinates","211137","2020-10-21","18:00:00",""
"1543547","5.9083","0.0013","5.0195","0.0013","13.538","0.004","90","","92.715","0.017","90","","401.04","0.18","295","","295","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- Ba O4 Te -","- Ba O4 Te -","- Ba4 O16 Te4 -","4","1","","Matthias Weila; Berthold Stogera; Christian Gierl-Mayerb; Eugen Libowitzkyc","Structural insights into the thermal decomposition sequence of barium tetrahydrogenorthotellurate(VI), Ba[H4TeO6]","Journal of Solid State Chemistry","2016","241","","187","197","10.1016/j.jssc.2016.06.010","","","0.71073","MoKα","","0.1211","0.0878","","","0.1825","0.1961","","","","","","1.173","","","","has coordinates","211137","2020-10-21","18:00:00",""
"1543553","7.9301","0.0002","11.6306","0.0003","25.2568","0.0005","90","","90","","90","","2329.48","0.1","296","2","296","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C26 H36 O5 -","- C26 H36 O5 -","- C104 H144 O20 -","4","1","","Qi, Changxing; Bao, Jian; Wang, Jianping; Zhu, Hucheng; Xue, Yongbo; Wang, Xiaochuan; Li, Hua; Sun, Weiguang; Gao, Weixi; Lai, Yongji; Chen, Jian-Guo; Zhang, Yonghui","Asperterpenes A and B, two unprecedented meroterpenoids from Aspergillus terreus with BACE1 inhibitory activities","Chem. Sci.","2016","7","10","6563","","10.1039/C6SC02464E","","","1.54178","CuKα","","0.0345","0.0341","","","0.0985","0.0989","","","","","","1.083","","","","has coordinates","187021","2020-10-21","18:00:00",""
"1543554","15.9092","0.0004","18.9397","0.0005","8.0829","0.0002","90","","90","","90","","2435.5","0.11","298","2","298","2","","","","","","","","3","P 21 21 2","P 2 2ab","18","","","","- C26.5 H36 O7.5 -","- C26.5 H36 O7.5 -","- C106 H144 O30 -","4","1","","Qi, Changxing; Bao, Jian; Wang, Jianping; Zhu, Hucheng; Xue, Yongbo; Wang, Xiaochuan; Li, Hua; Sun, Weiguang; Gao, Weixi; Lai, Yongji; Chen, Jian-Guo; Zhang, Yonghui","Asperterpenes A and B, two unprecedented meroterpenoids from Aspergillus terreus with BACE1 inhibitory activities","Chem. Sci.","2016","7","10","6563","","10.1039/C6SC02464E","","","1.54178","CuKα","","0.0411","0.0407","","","0.1136","0.114","","","","","","1.046","","","","has coordinates,has disorder","187021","2020-10-21","18:00:00",""
"1543568","17.4037","0.0017","14.1343","0.0013","20.914","0.002","90","","111.783","0.0015","90","","4777.3","0.8","200","2","200","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C78 H40 Al2 F72 N2 O8 -","- C78 H40 Al2 F72 N2 O8 -","- C156 H80 Al4 F144 N4 O16 -","2","0.5","","Su, Yuanting; Wang, Xingyong; Wang, Lei; Zhang, Zaichao; Wang, Xinping; Song, You; Power, Philip P.","Thermally controlling the singlet‒triplet energy gap of a diradical in the solid state","Chem. Sci.","2016","7","10","6514","","10.1039/C6SC01825D","","","0.71073","MoKα","","0.1298","0.0905","","","0.2169","0.2438","","","","","","1.052","","","","has coordinates,has disorder","187024","2020-10-21","18:00:00",""
"1543569","17.262","0.003","13.956","0.002","20.301","0.003","90","","109.105","0.003","90","","4621.3","1.2","123","2","123","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C78 H40 Al2 F72 N2 O8 -","- C78 H40 Al2 F72 N2 O8 -","- C156 H80 Al4 F144 N4 O16 -","2","0.5","","Su, Yuanting; Wang, Xingyong; Wang, Lei; Zhang, Zaichao; Wang, Xinping; Song, You; Power, Philip P.","Thermally controlling the singlet‒triplet energy gap of a diradical in the solid state","Chem. Sci.","2016","7","10","6514","","10.1039/C6SC01825D","","","0.71073","MoKα","","0.0691","0.0489","","","0.1394","0.1581","","","","","","1.061","","","","has coordinates,has disorder","187024","2020-10-21","18:00:00",""
"1543570","9.3417","0.0009","19.5128","0.0015","9.2588","0.0011","90","","99.685","0.007","90","","1663.7","0.3","103","2","103","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H31 N O -","- C19 H31 N O -","- C76 H124 N4 O4 -","4","1","","Kaga, Atsushi; Tnay, Ya Lin; Chiba, Shunsuke","Synthesis of Fasicularin.","Organic letters","2016","18","14","3506","3508","10.1021/acs.orglett.6b01669","","","0.71073","MoKα","","0.0768","0.0465","","","0.1163","0.1406","","","","","","1.07","","","","has coordinates","184983","2020-10-21","18:00:00",""
"1543571","7.5726","0.0019","10.186","0.003","12.215","0.003","100.996","0.008","93.41","0.008","103.373","0.007","894.5","0.4","103","2","103","2","","","","","","","","4","P -1","-P 1","2","","","","- C20 H26 N2 O2 -","- C20 H26 N2 O2 -","- C40 H52 N4 O4 -","2","1","","Kaga, Atsushi; Tnay, Ya Lin; Chiba, Shunsuke","Synthesis of Fasicularin.","Organic letters","2016","18","14","3506","3508","10.1021/acs.orglett.6b01669","","","0.71073","MoKα","","0.0634","0.0458","","","0.1124","0.1268","","","","","","1.021","","","","has coordinates","184983","2020-10-21","18:00:00",""
"1543572","12.2909","0.0008","12.7985","0.0011","14.5821","0.0009","90","","101.076","0.006","90","","2251.1","0.3","291.23","0.1","291.23","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C22 H24 F3 N O3 S -","- C22 H24 F3 N O3 S -","- C88 H96 F12 N4 O12 S4 -","4","1","","Jin, Dong-Po; Gao, Pin; Chen, Dao-Qian; Chen, Si; Wang, Jia; Liu, Xue-Yuan; Liang, Yong-Min","AgSCF3-Mediated Oxidative Trifluoromethythiolation of Alkynes with Dearomatization to Synthesize SCF3-Substituted Spiro[4,5]trienones.","Organic letters","2016","18","14","3486","3489","10.1021/acs.orglett.6b01702","","x-ray","1.54184","CuKα","","0.0899","0.0668","","","0.1976","0.226","","","","","","1.055","","","","has coordinates","184987","2020-10-21","18:00:00",""
"1543573","8.287","0.0001","8.486","0.0001","25.305","0.0005","95.062","0.001","92.854","0.001","97.449","0.001","1754.25","0.05","150","2","150.15","","","","","","","","","8","P -1","-P 1","2","","","","- C30 H36 F6 N5 O3 P Ru S -","- C30 H36 F6 N5 O3 P Ru S -","- C60 H72 F12 N10 O6 P2 Ru2 S2 -","2","1","","Marcé, Patricia; Paterson, Andrew J.; Mahon, Mary F.; Frost, Christopher G.","Mechanistic insight into ruthenium catalysed meta-sulfonation of 2-phenylpyridine","Catal. Sci. Technol.","2016","6","19","7068","","10.1039/C6CY01254J","","","0.71073","MoKα","","0.0667","0.0439","","","0.0819","0.0883","","","","","","1.035","","","","has coordinates,has disorder","187018","2020-10-21","18:00:00",""
"1543574","7.9645","0.0005","10.3576","0.0006","12.7222","0.0007","101.576","0.005","101.64","0.005","100.566","0.005","979.21","0.11","293","2","293","2","","","","","","","","5","P -1","-P 1","2","Sulfamethizole‒2-amino-4,6-dimethoxypyrimidine (1/1)","4-Amino-<i>N</i>-(5-methyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide; 2-amino-4,6-dimethoxypyrimidine","","- C15 H19 N7 O4 S2 -","- C15 H19 N7 O4 S2 -","- C30 H38 N14 O8 S4 -","2","1","HB4056","Öztürk, Filiz; Bulut, İclal; Yavuz, Yunus Emre; Bulut, Ahmet","Sulfamethizole‒2-amino-4,6-dimethoxypyrimidine (1/1)","IUCrData","2016","1","6","x161030","","10.1107/S2414314616010300","","","0.71073","MoKα","","0.0533","0.0451","","","0.1065","0.1109","","","","","","1.077","","","","has coordinates,has Fobs","184085","2020-10-21","18:00:00",""
"1543575","9.7931","0.0012","8.6816","0.0011","14.1098","0.0017","90","","94.003","0.004","90","","1196.7","0.3","173","2","173","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","5,7,7,12,14,14-Hexamethyl-4,11-diaza-1,8-diazoniacyclotetradeca-4,11-diene bis(methanesulfonate)","","- C18 H40 N4 O6 S2 -","- C18 H40 N4 O6 S2 -","- C36 H80 N8 O12 S4 -","2","0.5","HB4059","Spendel, Katherine; Nazarenko, Alexander Y.","5,7,7,12,14,14-Hexamethyl-4,11-diaza-1,8-diazoniacyclotetradeca-4,11-diene bis(methanesulfonate)","IUCrData","2016","1","6","x161033","","10.1107/S2414314616010336","","","0.71073","MoKα","","0.0627","0.0408","","","0.0999","0.1102","","","","","","1.048","","","","has coordinates,has Fobs","184086","2020-10-21","18:00:00",""
"1543576","6.3184","0.0002","15.4673","0.0006","13.2528","0.0005","90","","98.762","0.002","90","","1280.06","0.08","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(4<i>E</i>)-1-Phenyl-4-[(piperidin-1-yl)methylidene]pyrazolidine-3,5-dione","","- C15 H17 N3 O2 -","- C15 H17 N3 O2 -","- C60 H68 N12 O8 -","4","1","HB4060","Mohamed, Shaaban K.; Mague, Joel T.; Akkurt, Mehmet; Ahmed, Eman A.; Mohamed, Alaa F.; Albayati, Mustafa R.","(4<i>E</i>)-1-Phenyl-4-[(piperidin-1-yl)methylidene]pyrazolidine-3,5-dione","IUCrData","2016","1","6","x161028","","10.1107/S2414314616010282","","","1.54178","CuKα","","0.06","0.0427","","","0.1018","0.1093","","","","","","1.028","","","","has coordinates,has Fobs","184087","2020-10-21","18:00:00",""
"1543577","10.0629","0.0004","10.0629","0.0004","28.901","0.003","90","","90","","90","","2926.6","0.3","296","2","296","2","","","","","","","","5","P 41","P 4w","76","","","","- C33 H35 Fe N P2 -","- C33 H35 Fe N P2 -","- C132 H140 Fe4 N4 P8 -","4","1","","Chen, Caiyou; Wang, Heng; Zhang, Zhefan; Jin, Shicheng; Wen, Songwei; Ji, Jianjian; Chung, Lung Wa; Dong, Xiu-Qin; Zhang, Xumu","Ferrocenyl chiral bisphosphorus ligands for highly enantioselective asymmetric hydrogenation via noncovalent ion pair interaction","Chem. Sci.","2016","7","11","6669","","10.1039/C6SC01845A","","","0.71073","MoKα","","0.0589","0.042","","","0.0948","0.1043","","","","","","1.024","","","","has coordinates","188060","2020-10-21","18:00:00",""
"1543598","12.939","0.001","8.252","0.0008","11.878","0.0008","90","","102.167","0.007","90","","1239.76","0.18","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C13 H11 F3 O S -","- C13 H11 F3 O S -","- C52 H44 F12 O4 S4 -","4","1","","Song, Xiaoning; Tian, Shuangquan; Zhao, Ziming; Zhu, Dongsheng; Wang, Mang","Controlled Ring-Opening of Siloxydifluorocyclopropanes for Carbocyclization: Synthesis of Difluorocyclopentenones.","Organic letters","2016","18","14","3414","3417","10.1021/acs.orglett.6b01567","","","0.71069","MoKα","","0.0577","0.0449","","","0.1104","0.1207","","","","","","1.062","","","","has coordinates","184981","2020-10-21","18:00:00",""
"1543599","5.4375","0.0008","10.0119","0.0015","22.541","0.003","90","","94.174","0.003","90","","1223.9","0.3","113","2","113","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C28 H20 Br Cl N2 O4 S2 -","- C28 H20 Br Cl N2 O4 S2 -","- C56 H40 Br2 Cl2 N4 O8 S4 -","2","0.5","","Yu, Junchao; Zhang-Negrerie, Daisy; Du, Yunfei","Cu(OAc)2-Mediated Cascade Annulation of Diarylalkyne Sulfonamides through Dual C-N Bond Formation: Synthesis of 5,10-Dihydroindolo[3,2-b]indoles.","Organic letters","2016","18","14","3322","3325","10.1021/acs.orglett.6b01343","","","0.71073","MoKα","","0.0288","0.0234","","","0.0586","0.0605","","","","","","1.059","","","","has coordinates,has disorder","184986","2020-10-21","18:00:00",""
"1543600","9.6686","0.0001","35.1961","0.0004","15.4447","0.0002","90","","100.103","0.0012","90","","5174.29","0.11","100","","100","","","","","","","","synthesis","6","P 1 21/n 1","-P 2yn","14","","24","","- C23 H27 I N4 O5 S2 -","- C23 H27 I N4 O5 S2 -","- C184 H216 I8 N32 O40 S16 -","8","2","","Peacock, Hayden; Luo, Jinghui; Yamashita, Tohru; Luccarelli, James; Thompson, Sam; Hamilton, Andrew D.","Non-covalent S⋯O interactions control conformation in a scaffold that disrupts islet amyloid polypeptide fibrillation","Chem. Sci.","2016","7","10","6435","","10.1039/C6SC00756B","","","0.6889","Synchrotron","","0.0525","0.0372","","0.0763","0.066","0.0763","","","","","","0.9203","","","","has coordinates","187025","2020-10-21","18:00:00",""
"1543601","10.019","0.003","10.019","0.003","42.875","0.012","90","","90","","90","","4304","2","100","2","100","2","","","","","","","","4","P 43","P 4cw","78","","","","- C22 H28 O8 S -","- C22 H28 O8 S -","- C176 H224 O64 S8 -","8","2","","de Castro, Marcos V.; Ióca, Laura P; Williams, David E.; Costa, Bruna Z.; Mizuno, Carolina M.; Santos, Mario F. C.; de Jesus, Karen; Ferreira, Éverton L F; Seleghim, Mirna H. R.; Sette, Lara D.; Pereira Filho, Edenir R.; Ferreira, Antonio G.; Gonçalves, Natália S; Santos, Raquel A.; Patrick, Brian O.; Andersen, Raymond J.; Berlinck, Roberto G. S.","Condensation of Macrocyclic Polyketides Produced by Penicillium sp. DRF2 with Mercaptopyruvate Represents a New Fungal Detoxification Pathway.","Journal of natural products","2016","79","6","1668","1678","10.1021/acs.jnatprod.6b00295","","x-ray","0.71073","MoKα","","0.1165","0.1115","","","0.3003","0.3038","","","","","","1.071","","","","has coordinates","184149","2020-10-21","18:00:00",""
"1543602","10.7952","0.0007","17.2819","0.0011","23.5916","0.0013","90","","90","","90","","4401.3","0.5","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C19.5 H28.98 O10.99 S -","- C19.5 H28.9833 O10.9916 S -","- C156 H231.866 O87.9332 S8 -","8","2","","de Castro, Marcos V.; Ióca, Laura P; Williams, David E.; Costa, Bruna Z.; Mizuno, Carolina M.; Santos, Mario F. C.; de Jesus, Karen; Ferreira, Éverton L F; Seleghim, Mirna H. R.; Sette, Lara D.; Pereira Filho, Edenir R.; Ferreira, Antonio G.; Gonçalves, Natália S; Santos, Raquel A.; Patrick, Brian O.; Andersen, Raymond J.; Berlinck, Roberto G. S.","Condensation of Macrocyclic Polyketides Produced by Penicillium sp. DRF2 with Mercaptopyruvate Represents a New Fungal Detoxification Pathway.","Journal of natural products","2016","79","6","1668","1678","10.1021/acs.jnatprod.6b00295","","x-ray","0.71073","MoKα","","0.0564","0.0414","","","0.0944","0.1055","","","","","","1.02","","","","has coordinates,has disorder","217633","2020-10-21","18:00:00",""
"1543603","5.6207","0.001","6.9699","0.0012","10.1484","0.0017","94.689","0.003","105.261","0.003","106.876","0.003","361.61","0.11","110","2","110","2","","","","","","","","6","P -1","-P 1","2","","","","- C8 H14 Cl2 I2 N2 O2 -","- C8 H14 Cl2 I2 N2 O2 -","- C8 H14 Cl2 I2 N2 O2 -","1","0.5","","Suponitsky, Kyrill Yu; Burakov, N. I.; Kanibolotsky, Alexander L.; Mikhailov, Vasilii A.","Multiple Noncovalent Bonding in Halogen Complexes with Oxygen Organics. I. Tertiary Amides.","The journal of physical chemistry. A","2016","120","24","4179","4190","10.1021/acs.jpca.6b02192","","","0.71073","MoKα","","0.0295","0.0265","","","0.0697","0.0716","","","","","","1.047","","","","has coordinates","184186","2020-10-21","18:00:00",""
"1543604","21.369","0.003","5.6645","0.0007","11.478","0.0014","90","","119.78","0.002","90","","1205.9","0.3","110","2","110","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C8 H14 I2 N2 O2 -","- C8 H14 I2 N2 O2 -","- C32 H56 I8 N8 O8 -","4","0.5","","Suponitsky, Kyrill Yu; Burakov, N. I.; Kanibolotsky, Alexander L.; Mikhailov, Vasilii A.","Multiple Noncovalent Bonding in Halogen Complexes with Oxygen Organics. I. Tertiary Amides.","The journal of physical chemistry. A","2016","120","24","4179","4190","10.1021/acs.jpca.6b02192","","","0.71073","MoKα","","0.0292","0.0275","","","0.0673","0.0683","","","","","","1.054","","","","has coordinates","184187","2020-10-21","18:00:00",""
"1543615","13.2463","0.0016","13.2463","0.0016","29.783","0.004","90","","90","","120","","4525.7","1","100","2","100","2","","","","","","","","6","P 63/m","-P 6c","176","","[K(Kryptofix-2,2,2)]2[Pb2(mBDCA-5t)]","","- C84 H132 K2 N12 O18 Pb2 -","- C83.655 H132 K2 N12 O18 Pb2 -","- C167.31 H264 K4 N24 O36 Pb4 -","2","0.166667","","Stauber, Julia; Mueller, Peter; Dai, Yizhe; Wu, Gang; Nocera, Daniel G.; Cummins, Christopher","Multi-electron reactivity of a cofacial di-tin(II) cryptand: Partial reduction of sulfur and selenium and reversible generation of S3●−","Chem. Sci.","2016","","","","","10.1039/C6SC01754A","","","0.71073","MoKα","","0.0532","0.0267","","","0.0517","0.0612","","","","","","1.014","","","","has coordinates,has disorder","184267","2020-10-21","18:00:00",""
"1543616","13.1963","0.0019","13.1963","0.0019","29.806","0.005","90","","90","","120","","4495.1","1.2","100","2","100","2","","","","","","","","6","P 63/m","-P 6c","176","","[K(Kryptofix-2,2,2]2[Sn2(mBDCA-5t)]","","- C84 H132 K2 N12 O18 Sn2 -","- C84 H132 K2 N12 O18 Sn2 -","- C168 H264 K4 N24 O36 Sn4 -","2","0.166667","","Stauber, Julia; Mueller, Peter; Dai, Yizhe; Wu, Gang; Nocera, Daniel G.; Cummins, Christopher","Multi-electron reactivity of a cofacial di-tin(II) cryptand: Partial reduction of sulfur and selenium and reversible generation of S3●−","Chem. Sci.","2016","","","","","10.1039/C6SC01754A","","","0.71073","MoKα","","0.0481","0.0372","","","0.0931","0.1008","","","","","","1.047","","","","has coordinates,has disorder","184267","2020-10-21","18:00:00",""
"1543617","13.2183","0.0019","18.536","0.003","16.295","0.002","90","","113.704","0.002","90","","3655.7","0.9","100","2","100","2","","","","","","","","7","P 1 21 1","P 2yb","4","","[K2(DMF)3][Se6Sn2(mBDCA-5t)]","","- C48 H60 K2 N8 O7.5 Se6 Sn2 -","- C48 H60 K2 N8 O7.5 Se6 Sn2 -","- C96 H120 K4 N16 O15 Se12 Sn4 -","2","1","","Stauber, Julia; Mueller, Peter; Dai, Yizhe; Wu, Gang; Nocera, Daniel G.; Cummins, Christopher","Multi-electron reactivity of a cofacial di-tin(II) cryptand: Partial reduction of sulfur and selenium and reversible generation of S3●−","Chem. Sci.","2016","","","","","10.1039/C6SC01754A","","","0.71073","MoKα","","0.1017","0.0718","","","0.1873","0.21","","","","","","1.035","","","","has coordinates,has disorder","184267","2020-10-21","18:00:00",""
"1543618","5.875","0.0002","25.9891","0.0012","10.3089","0.0004","90","","90.761","0.004","90","","1573.89","0.11","423","2","423","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","2-(3-benzoylthioureido)-3-phenylpropanoic acid","2-(3-Benzoylthioureido)-3-phenylpropanoic acid","","- C17 H16 N2 O3 S -","- C17 H16 N2 O3 S -","- C68 H64 N8 O12 S4 -","4","1","","Chong, Yan Yi; Mohamed Tahir, Mohamed Ibrahim; Kassim, Mohammad B.","2-(3-Benzoylthioureido)-3-phenylpropanoic acid","IUCrData","2016","1","7","x161091","","10.1107/S2414314616010919","","","1.54178","CuKα","","0.038","0.0354","","","0.0942","0.0964","","","","","","1.038","","","","has coordinates,has Fobs","184291","2020-10-21","18:00:00",""
"1543619","11.374","0.002","14.363","0.003","5.05","0.002","90","","90","","90","","825","0.4","150","2","150","2","","","","","","","","3","P n a 21","P 2c -2n","33","Veratraldehyde","3,4-Dimethoxybenzaldehyde","","- C9 H10 O3 -","- C9 H10 O3 -","- C36 H40 O12 -","4","1","HB4058","de Ronde, Erik; Brugman, Sander J.T.; Koning, Niels; Tinnemans, Paul; Vlieg, Elias","3,4-Dimethoxybenzaldehyde","IUCrData","2016","1","7","x161008","","10.1107/S2414314616010087","","","0.71073","MoKα","","0.0467","0.035","","","0.0899","0.0969","","","","","","1.028","","","","has coordinates,has Fobs","184292","2020-10-21","18:00:00",""
"1543620","8.7733","0.0002","8.8342","0.0002","39.4158","0.001","90","","94.15","0.002","90","","3046.92","0.12","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Bis(2,2':6',2''-terpyridine-κ^3^<i>N</i>,<i>N</i>',<i>N</i>'')nickel(II) bis(perchlorate) hemihydrate","","- C30 H23 Cl2 N6 Ni O8.5 -","- C30 H23 Cl2 N6 Ni O8.5 -","- C120 H92 Cl8 N24 Ni4 O34 -","4","1","SU4053","Anderer, Carolin; Näther, Christian; Bensch, Wolfgang","Bis(2,2':6',2''-terpyridine-κ^3^<i>N</i>,<i>N</i>',<i>N</i>'')nickel(II) bis(perchlorate) hemihydrate","IUCrData","2016","1","7","x161009","","10.1107/S2414314616010099","","","0.71073","MoKα","","0.0432","0.039","","","0.1037","0.1068","","","","","","1.051","","","","has coordinates,has Fobs","185026","2020-10-21","18:00:00",""
"1543621","31.808","0.003","4.6312","0.0004","19.0381","0.0016","90","","122.839","0.003","90","","2356.3","0.4","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","Ethyl 2-(6-nitro-2<i>H</i>-indazol-2-yl)acetate","","- C11 H11 N3 O4 -","- C11 H11 N3 O4 -","- C88 H88 N24 O32 -","8","1","TK4019","Rejouani, Fatima-Zahra; Mojahidi, Souad; Rakib, El Mostapha; Mdeghri Alaoui, Abdelouahed; Saadi, Mohamed; El Ammari, Lahcen","Ethyl 2-(6-nitro-2<i>H</i>-indazol-2-yl)acetate","IUCrData","2016","1","7","x161074","","10.1107/S2414314616010749","","","0.71073","MoKα","","0.06","0.0444","","","0.126","0.1401","","","","","","1.032","","","","has coordinates,has Fobs","184294","2020-10-21","18:00:00",""
"1543622","6.1957","0.0002","10.646","0.0003","12.2909","0.0003","68.845","0.001","78.971","0.001","84.919","0.001","741.93","0.04","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","Ethyl 2-[(5<i>Z</i>)-5-(4-methoxybenzylidene)-2,4-dioxo-1,3-thiazolidin-3-yl]acetate","","- C15 H15 N O5 S -","- C15 H15 N O5 S -","- C30 H30 N2 O10 S2 -","2","1","HB4063","Tachallait, Hamza; Karrouchi, Khalid; Bougrin, Khalid; Mague, Joel T.; Ramli, Youssef","Ethyl 2-[(5<i>Z</i>)-5-(4-methoxybenzylidene)-2,4-dioxo-1,3-thiazolidin-3-yl]acetate","IUCrData","2016","1","7","x161041","","10.1107/S2414314616010415","","","1.54178","CuKα","","0.0324","0.0302","","","0.077","0.0787","","","","","","1.046","","","","has coordinates,has Fobs","184295","2020-10-21","18:00:00",""
"1543623","7.9078","0.00014","8.27871","0.00015","13.4075","0.0003","73.8395","0.0007","79.2764","0.0007","68.1246","0.0007","779.01","0.03","173","","173","","","","","","","","","5","P -1","-P 1","2","","Dichlorido[2-(pyridin-2-yl-κ<i>N</i>)benzo[<i>b</i>]-1,5-naphthyridine-κ<i>N</i>^1^]zinc","","- C17 H11 Cl2 N3 Zn -","- C17 H11 Cl2 N3 Zn -","- C34 H22 Cl4 N6 Zn2 -","2","1","","Ohtsu, Hideki; Oura, Takahiro; Takaoka, Mikio; Tsuge, Kiyoshi; Tanaka, Koji","Dichlorido[2-(pyridin-2-yl-κ<i>N</i>)benzo[<i>b</i>][1,5]naphthyridine-κ<i>N</i>^1^]zinc","IUCrData","2016","1","7","x161093","","10.1107/S2414314616010932","","","1.54187","CuKα","","","0.039","","","","0.1082","","","","","","1.084","","","","has coordinates,has Fobs","184296","2020-10-21","18:00:00",""
"1543624","7.004","0.009","14.054","0.017","15.275","0.019","90","","90.368","0.012","90","","1504","3","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2-[4-(4-Methoxyphenyl)-1,3-thiazol-2-yl]-2,3-dihydro-1<i>H</i>-isoindole-1,3-dione","","- C18 H12 N2 O3 S -","- C18 H12 N2 O3 S -","- C72 H48 N8 O12 S4 -","4","1","BT4017","Saravanan, K.; Archana, K.; Lakshmithendral, K.; Kabilan, S.; Selvanayagam, S.","2-[4-(4-Methoxyphenyl)-1,3-thiazol-2-yl]-2,3-dihydro-1<i>H</i>-isoindole-1,3-dione","IUCrData","2016","1","7","x161053","","10.1107/S2414314616010531","","","0.71073","MoKα","","0.1041","0.0655","","","0.1724","0.2188","","","","","","1.072","","","","has coordinates,has Fobs","184297","2020-10-21","18:00:00",""
"1543625","9.5048","0.0004","4.8237","0.0002","23.3395","0.0011","90","","100.829","0.002","90","","1051.02","0.08","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","4,6-Dimethyl-benzofuran-3-yl-acetic acid","2-(4,6-Dimethyl-1-benzofuran-3-yl)acetic acid","","- C12 H12 O3 -","- C12 H12 O3 -","- C48 H48 O12 -","4","1","","Ramprasad, N.; Gowda, Ramakrishna; Gowda, K.V. Arjuna; Basanagouda, Mahantesha","2-(4,6-Dimethyl-1-benzofuran-3-yl)acetic acid","IUCrData","2016","1","7","x161032","","10.1107/S2414314616010324","","","0.71073","MoKα","","0.0594","0.0432","","","0.1145","0.1288","","","","","","1.059","","","","has coordinates,has Fobs","184298","2020-10-21","18:00:00",""
"1543626","8.082","0.004","11.9","0.006","18.387","0.009","96.689","0.007","97.921","0.008","102.152","0.008","1692.8","1.5","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C8 H7 N O3 S -","- C8 H7 N O3 S -","- C64 H56 N8 O24 S8 -","8","4","","Shi, Lei; Yang, Jian Hai; Zeng, Hai Bo; Chen, Yong Mei; Yang, Sheng Chun; Wu, Chao; Zeng, Hao; Yoshihito, Osada; Zhang, Qiqing","Carbon dots with high fluorescence quantum yield: the fluorescence originates from organic fluorophores.","Nanoscale","2016","8","30","14374","14378","10.1039/c6nr00451b","","","0.71073","MoKα","","0.0813","0.0444","","","0.0962","0.1128","","","","","","1.016","","","","has coordinates","185563","2020-10-21","18:00:00",""
"1543627","11.021","0.005","9.374","0.004","18.596","0.008","90","","90","","90","","1921.2","1.5","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C9 H7 N O5 S -","- C9 H7 N O5 S -","- C72 H56 N8 O40 S8 -","8","1","","Shi, Lei; Yang, Jian Hai; Zeng, Hai Bo; Chen, Yong Mei; Yang, Sheng Chun; Wu, Chao; Zeng, Hao; Yoshihito, Osada; Zhang, Qiqing","Carbon dots with high fluorescence quantum yield: the fluorescence originates from organic fluorophores.","Nanoscale","2016","8","30","14374","14378","10.1039/c6nr00451b","","","0.71073","MoKα","","0.0309","0.0285","","","0.0728","0.0748","","","","","","1.064","","","","has coordinates","185563","2020-10-21","18:00:00",""
"1543628","10.091","0.0003","10.4061","0.0003","11.4027","0.0003","67.445","0.001","72.988","0.001","70.32","0.001","1022.65","0.05","153","2","153","2","","","","","","","","4","P -1","-P 1","2","","","","- C24 H22 O5 S -","- C24 H22 O5 S -","- C48 H44 O10 S2 -","2","1","","Xu, Lun; Liu, Fengyi; Xu, Li-Wen; Gao, Ziwei; Zhao, Yu-Ming","A Total Synthesis of Paeoveitol.","Organic letters","2016","18","15","3698","3701","10.1021/acs.orglett.6b01736","","","0.71073","MoKα","","0.0391","0.0373","","","0.0991","0.1009","","","","","","1.047","","","","has coordinates","187954","2020-10-21","18:00:00",""
"1543629","19.3064","0.0009","8.9818","0.0004","18.1833","0.0008","90","","95.154","0.002","90","","3140.3","0.2","153","","153","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C19 H20 O5 -","- C19 H20 O5 -","- C152 H160 O40 -","8","1","","Xu, Lun; Liu, Fengyi; Xu, Li-Wen; Gao, Ziwei; Zhao, Yu-Ming","A Total Synthesis of Paeoveitol.","Organic letters","2016","18","15","3698","3701","10.1021/acs.orglett.6b01736","","","0.71073","MoKα","","0.0598","0.0467","","","0.1186","0.1261","","","","","","1.04","","","","has coordinates","187954","2020-10-21","18:00:00",""
"1543630","14.3087","0.0006","15.226","0.0008","18.5087","0.0009","90","","90","","90","","4032.4","0.3","293","2","293.15","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C47 H42 Br N3 O6 -","- C47 H42 Br N3 O6 -","- C188 H168 Br4 N12 O24 -","4","1","","Xu, Jianfeng; Yuan, Shiru; Miao, Maozhong","N-Heterocyclic Carbene Catalyzed [4 + 2] Annulation Reactions with in Situ Generated Heterocyclic ortho-Quinodimethanes.","Organic letters","2016","18","15","3822","3825","10.1021/acs.orglett.6b01831","","","0.71073","MoKα","","0.056","0.0382","","","0.0749","0.0823","","","","","","1.038","","","","has coordinates","187958","2020-10-21","18:00:00",""
"1543631","15.7112","0.0006","15.4073","0.001","21.2986","0.0012","90","","90","","90","","5155.7","0.5","193","2","193","2","","","","","","","","2","P b c a","-P 2ac 2ab","61","","","","- C38 H26 -","- C38 H26 -","- C304 H208 -","8","1","","Lehnherr, Dan; Chen, Chen; Pedramrazi, Zahra; DeBlase, Catherine R.; Alzola, Joaquin M.; Keresztes, Ivan; Lobkovsky, Emil B.; Crommie, Michael F.; Dichtel, William R.","Sequence-defined oligo(ortho-arylene) foldamers derived from the benzannulation of ortho(arylene ethynylene)s","Chem. Sci.","2016","7","10","6357","","10.1039/C6SC02520J","","","0.71073","MoKα","","0.086","0.0398","","","0.0794","0.0978","","","","","","1.031","","","","has coordinates","187027","2020-10-21","18:00:00",""
"1543632","22.5254","0.0005","17.7308","0.0004","24.2495","0.0005","90","","98.636","0.001","90","","9575.3","0.4","223","2","223","2","","","","","","","","2","C 1 2/c 1","-C 2yc","15","","","","- C70 H46 -","- C70 H46 -","- C560 H368 -","8","1","","Lehnherr, Dan; Chen, Chen; Pedramrazi, Zahra; DeBlase, Catherine R.; Alzola, Joaquin M.; Keresztes, Ivan; Lobkovsky, Emil B.; Crommie, Michael F.; Dichtel, William R.","Sequence-defined oligo(ortho-arylene) foldamers derived from the benzannulation of ortho(arylene ethynylene)s","Chem. Sci.","2016","7","10","6357","","10.1039/C6SC02520J","","","0.71073","MoKα","","0.1016","0.0417","","","0.0836","0.112","","","","","","1.028","","","","has coordinates","187027","2020-10-21","18:00:00",""
"1543633","16.2638","0.0011","21.1086","0.0015","14.1182","0.001","90","","115.136","0.002","90","","4387.9","0.5","296","2","296","2","","","","","","","","2","C 1 2/c 1","-C 2yc","15","","","","- C54 H36 -","- C54 H36 -","- C216 H144 -","4","0.5","","Lehnherr, Dan; Chen, Chen; Pedramrazi, Zahra; DeBlase, Catherine R.; Alzola, Joaquin M.; Keresztes, Ivan; Lobkovsky, Emil B.; Crommie, Michael F.; Dichtel, William R.","Sequence-defined oligo(ortho-arylene) foldamers derived from the benzannulation of ortho(arylene ethynylene)s","Chem. Sci.","2016","7","10","6357","","10.1039/C6SC02520J","","","0.71073","MoKα","","0.078","0.0525","","","0.1543","0.1701","","","","","","1.044","","","","has coordinates","187027","2020-10-21","18:00:00",""
"1543634","16.4358","0.001","19.7791","0.0012","10.5249","0.0006","90","","107.835","0.0006","90","","3257.1","0.3","296","2","296","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C22 H14 F2 -","- C22 H14 F2 -","- C176 H112 F16 -","8","2","","Lehnherr, Dan; Chen, Chen; Pedramrazi, Zahra; DeBlase, Catherine R.; Alzola, Joaquin M.; Keresztes, Ivan; Lobkovsky, Emil B.; Crommie, Michael F.; Dichtel, William R.","Sequence-defined oligo(ortho-arylene) foldamers derived from the benzannulation of ortho(arylene ethynylene)s","Chem. Sci.","2016","7","10","6357","","10.1039/C6SC02520J","","","0.71073","MoKα","","0.0704","0.0433","","","0.0981","0.1156","","","","","","1.012","","","","has coordinates","187027","2020-10-21","18:00:00",""
"1543635","15.7303","0.0014","15.2924","0.0017","23.248","0.003","90","","90","","90","","5592.4","1.1","296","2","296","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C38 H22 F4 -","- C38 H22 F4 -","- C304 H176 F32 -","8","1","","Lehnherr, Dan; Chen, Chen; Pedramrazi, Zahra; DeBlase, Catherine R.; Alzola, Joaquin M.; Keresztes, Ivan; Lobkovsky, Emil B.; Crommie, Michael F.; Dichtel, William R.","Sequence-defined oligo(ortho-arylene) foldamers derived from the benzannulation of ortho(arylene ethynylene)s","Chem. Sci.","2016","7","10","6357","","10.1039/C6SC02520J","","","0.71073","MoKα","","0.1003","0.0403","","","0.0837","0.1097","","","","","","1.002","","","","has coordinates","187027","2020-10-21","18:00:00",""
"1543636","21.8211","0.0007","19.2793","0.0006","19.7602","0.0008","90","","90","","90","","8313","0.5","296","2","296","2","","","","","","","","3","I b a 2","I 2 -2c","45","","","","- C54 H30 F6 -","- C54 H30 F6 -","- C432 H240 F48 -","8","1","","Lehnherr, Dan; Chen, Chen; Pedramrazi, Zahra; DeBlase, Catherine R.; Alzola, Joaquin M.; Keresztes, Ivan; Lobkovsky, Emil B.; Crommie, Michael F.; Dichtel, William R.","Sequence-defined oligo(ortho-arylene) foldamers derived from the benzannulation of ortho(arylene ethynylene)s","Chem. Sci.","2016","7","10","6357","","10.1039/C6SC02520J","","","0.71073","MoKα","","0.0557","0.0326","","","0.067","0.0743","","","","","","0.983","","","","has coordinates","187027","2020-10-21","18:00:00",""
"1543637","11.1751","0.0004","12.6389","0.0005","19.118","0.0007","83.981","0.002","85.728","0.002","64.491","0.002","2422.29","0.16","296","2","296","2","","","","","","","","3","P -1","-P 1","2","","","","- C64 H34 F8 -","- C64 H34 F8 -","- C128 H68 F16 -","2","1","","Lehnherr, Dan; Chen, Chen; Pedramrazi, Zahra; DeBlase, Catherine R.; Alzola, Joaquin M.; Keresztes, Ivan; Lobkovsky, Emil B.; Crommie, Michael F.; Dichtel, William R.","Sequence-defined oligo(ortho-arylene) foldamers derived from the benzannulation of ortho(arylene ethynylene)s","Chem. Sci.","2016","7","10","6357","","10.1039/C6SC02520J","","","0.71073","MoKα","","0.1096","0.0613","","","0.1925","0.2147","","","","","","1.035","","","","has coordinates,has disorder","187027","2020-10-21","18:00:00",""
"1543638","22.2731","0.0011","22.2731","0.0011","7.127","0.0006","90","","90","","90","","3535.6","0.4","223","2","223","2","","","","","","","","3","P 4 c c","P 4 -2c","103","","","","- C22 H14 Cl2 -","- C22 H14 Cl2 -","- C176 H112 Cl16 -","8","1","","Lehnherr, Dan; Chen, Chen; Pedramrazi, Zahra; DeBlase, Catherine R.; Alzola, Joaquin M.; Keresztes, Ivan; Lobkovsky, Emil B.; Crommie, Michael F.; Dichtel, William R.","Sequence-defined oligo(ortho-arylene) foldamers derived from the benzannulation of ortho(arylene ethynylene)s","Chem. Sci.","2016","7","10","6357","","10.1039/C6SC02520J","","","0.71073","MoKα","","0.0718","0.0454","","","0.111","0.1247","","","","","","0.997","","","","has coordinates","187027","2020-10-21","18:00:00",""
"1543639","20.7464","0.0008","13.0281","0.0005","24.8595","0.0011","90","","107.709","0.002","90","","6400.8","0.5","223","2","223","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C38.5 H22.5 Cl5.5 -","- C38.5 H22.5 Cl5.5 -","- C308 H180 Cl44 -","8","2","","Lehnherr, Dan; Chen, Chen; Pedramrazi, Zahra; DeBlase, Catherine R.; Alzola, Joaquin M.; Keresztes, Ivan; Lobkovsky, Emil B.; Crommie, Michael F.; Dichtel, William R.","Sequence-defined oligo(ortho-arylene) foldamers derived from the benzannulation of ortho(arylene ethynylene)s","Chem. Sci.","2016","7","10","6357","","10.1039/C6SC02520J","","","0.71073","MoKα","","0.0966","0.0533","","","0.1286","0.155","","","","","","1","","","","has coordinates","187027","2020-10-21","18:00:00",""
"1543640","10.1553","0.0017","10.4128","0.0017","12.5099","0.0019","80.379","0.01","69.257","0.007","70.505","0.007","1164.4","0.3","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- C25 H32 O7 -","- C25 H32 O7 -","- C50 H64 O14 -","2","1","","Zhang, Lai-Bin; Lv, Jie-Li; Liu, Jun-Wei","Phthalide Derivatives with Anticoagulation Activities from Angelica sinensis.","Journal of natural products","2016","79","7","1857","1861","10.1021/acs.jnatprod.6b00080","","","1.54178","CuKα","","0.0502","0.047","","","0.1364","0.1445","","","","","","1.06","","","","has coordinates","184934","2020-10-21","18:00:00",""
"1543641","12.9007","0.0004","22.9463","0.0007","11.5098","0.0003","90","","114.234","0.001","90","","3106.92","0.16","296","2","296.15","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C36 H42 O6 -","- C36 H42 O6 -","- C144 H168 O24 -","4","1","","Zhang, Lai-Bin; Lv, Jie-Li; Liu, Jun-Wei","Phthalide Derivatives with Anticoagulation Activities from Angelica sinensis.","Journal of natural products","2016","79","7","1857","1861","10.1021/acs.jnatprod.6b00080","","","1.54178","CuKα","","0.0484","0.0423","","","0.1173","0.1226","","","","","","1.04","","","","has coordinates","184934","2020-10-21","18:00:00",""
"1543642","7.7825","0.0011","33.713","0.005","9.4309","0.0013","90","","108.491","0.002","90","","2346.7","0.6","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C27 H26 N O6 -","- C27 H26 N O6 -","- C108 H104 N4 O24 -","4","2","","Zheng, Kai-Lu; Shu, Wen-Ming; Ma, Jun-Rui; Wu, Yan-Dong; Wu, An-Xin","Acid-Mediated N-H/α,β-C(sp(3))-H Trifunctionalization of Pyrrolidine: Intermolecular [3 + 2] Cycloaddition for the Construction of 2,3-Dihydro-1H-Pyrrolizine Derivatives.","Organic letters","2016","18","15","3526","3529","10.1021/acs.orglett.6b01369","","","0.71073","MoKα","","0.0814","0.0483","","","0.1213","0.143","","","","","","0.967","","","","has coordinates","214153","2020-10-21","18:00:00",""
"1543643","11.31","0.0002","10.2958","0.0002","17.6004","0.0003","90","","95.49","0.001","90","","2040.09","0.06","180","2","180","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H56 Cl4 La2 O12 -","- C24 H56 Cl4 La2 O12 -","- C48 H112 Cl8 La4 O24 -","2","0.5","","Banger, Kulbinder; Warwick, Christopher; Lang, Jiang; Broch, Katharina; Halpert, Jonathan E.; Socratous, Josephine; Brown, Adam; Leedham, Timothy; Sirringhaus, Henning","Identification of dipole disorder in low temperature solution processed oxides: its utility and suppression for transparent high performance solution-processed hybrid electronics","Chem. Sci.","2016","7","10","6337","","10.1039/C6SC01962E","","","0.71073","MoKα","","0.0467","0.0259","","","0.0548","0.0564","","","","","","0.963","","","","has coordinates","187026","2020-10-21","18:00:00",""
"1543644","10.364","0.002","19.222","0.004","15.466","0.004","90","","103.941","0.003","90","","2990.3","1.1","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C25 H Cl7 F15 O2 Sb -","- C25 H Cl7 F15 O2 Sb -","- C100 H4 Cl28 F60 O8 Sb4 -","4","1","","Tofan, Daniel; Gabbaï, François P.","Fluorinated antimony(v) derivatives: strong Lewis acidic properties and application to the complexation of formaldehyde in aqueous solutions","Chem. Sci.","2016","7","11","6768","","10.1039/C6SC02558G","","","0.71073","MoKα","","0.0357","0.0266","","","0.0583","0.064","","","","","","1.047","","","","has coordinates","188063","2020-10-21","18:00:00",""
"1543645","10.0997","0.0006","17.0938","0.0011","22.0155","0.0014","69.649","0.002","78.072","0.002","89.884","0.002","3476.5","0.4","110","2","110","2","","","","","","","","7","P -1","-P 1","2","","","","- C30.25 H15.5 Cl4.5 F15 O3 P Sb -","- C30.25 H15.5 Cl4.5 F15 O3 P Sb -","- C121 H62 Cl18 F60 O12 P4 Sb4 -","4","2","","Tofan, Daniel; Gabbaï, François P.","Fluorinated antimony(v) derivatives: strong Lewis acidic properties and application to the complexation of formaldehyde in aqueous solutions","Chem. Sci.","2016","7","11","6768","","10.1039/C6SC02558G","","","0.71073","MoKα","","0.05","0.0409","","","0.0992","0.1047","","","","","","1.092","","","","has coordinates,has disorder","188063","2020-10-21","18:00:00",""
"1543646","17.7168","0.001","11.1989","0.0007","20.8571","0.0012","90","","105.423","0.003","90","","3989.2","0.4","110","2","110","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C37 H29 Cl4 F15 O3 P Sb -","- C37 H29 Cl4 F15 O3 P Sb -","- C148 H116 Cl16 F60 O12 P4 Sb4 -","4","1","","Tofan, Daniel; Gabbaï, François P.","Fluorinated antimony(v) derivatives: strong Lewis acidic properties and application to the complexation of formaldehyde in aqueous solutions","Chem. Sci.","2016","7","11","6768","","10.1039/C6SC02558G","","","0.71073","MoKα","","0.0516","0.0328","","","0.0635","0.0714","","","","","","1.034","","","","has coordinates","188063","2020-10-21","18:00:00",""
"1543647","11.1609","0.0018","16.856","0.003","21.036","0.003","105.844","0.003","94.824","0.003","102.789","0.003","3668.3","1","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C74.5 H53 Cl13 O4 P2 Sb2 -","- C74.5 H53 Cl13 O4.221 P2 Sb2 -","- C149 H106 Cl26 O8.442 P4 Sb4 -","2","1","","Tofan, Daniel; Gabbaï, François P.","Fluorinated antimony(v) derivatives: strong Lewis acidic properties and application to the complexation of formaldehyde in aqueous solutions","Chem. Sci.","2016","7","11","6768","","10.1039/C6SC02558G","","","0.71073","MoKα","","0.0699","0.0424","","","0.0975","0.1177","","","","","","1.046","","","","has coordinates,has disorder","188063","2020-10-21","18:00:00",""
"1543648","10.758","0.0005","11.0777","0.0005","12.9446","0.0006","108.732","0.003","90.137","0.003","115.76","0.003","1297.41","0.11","110","2","110","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H14 F10 P Sb -","- C30 H14 F10 P Sb -","- C60 H28 F20 P2 Sb2 -","2","1","","Tofan, Daniel; Gabbaï, François P.","Fluorinated antimony(v) derivatives: strong Lewis acidic properties and application to the complexation of formaldehyde in aqueous solutions","Chem. Sci.","2016","7","11","6768","","10.1039/C6SC02558G","","","0.71073","MoKα","","0.0524","0.0366","","","0.0727","0.0796","","","","","","1.026","","","","has coordinates","188063","2020-10-21","18:00:00",""
"1543649","10.129","0.003","13.412","0.003","14.339","0.004","99.327","0.006","96.206","0.006","110.765","0.006","1768.2","0.8","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C36 H14 Cl4 F10 O2 P Sb -","- C36 H14 Cl4 F10 O2 P Sb -","- C72 H28 Cl8 F20 O4 P2 Sb2 -","2","1","","Tofan, Daniel; Gabbaï, François P.","Fluorinated antimony(v) derivatives: strong Lewis acidic properties and application to the complexation of formaldehyde in aqueous solutions","Chem. Sci.","2016","7","11","6768","","10.1039/C6SC02558G","","","0.71073","MoKα","","0.0432","0.0332","","","0.0766","0.0809","","","","","","1.037","","","","has coordinates","188063","2020-10-21","18:00:00",""
"1543650","11.241","0.004","12.544","0.004","13.673","0.004","73.997","0.004","71.62","0.004","64.203","0.004","1625.5","0.9","110","2","110","2","","","","","","","","6","P -1","-P 1","2","","","","- C37 H26 Cl4 O3 P Sb -","- C37 H26 Cl4 O3 P Sb -","- C74 H52 Cl8 O6 P2 Sb2 -","2","1","","Tofan, Daniel; Gabbaï, François P.","Fluorinated antimony(v) derivatives: strong Lewis acidic properties and application to the complexation of formaldehyde in aqueous solutions","Chem. Sci.","2016","7","11","6768","","10.1039/C6SC02558G","","","0.71073","MoKα","","0.0824","0.0479","","","0.0925","0.109","","","","","","1.041","","","","has coordinates","188063","2020-10-21","18:00:00",""
"1543651","13.9283","0.0006","13.9709","0.0006","14.2499","0.0007","102.466","0.002","110.1","0.002","106.711","0.002","2336.4","0.2","110","2","110","2","","","","","","","","7","P -1","-P 1","2","","","","- C39.5 H18.5 Cl11.5 F10 O3 P Sb -","- C39.5 H18.5 Cl11.5 F10 O3 P Sb -","- C79 H37 Cl23 F20 O6 P2 Sb2 -","2","1","","Tofan, Daniel; Gabbaï, François P.","Fluorinated antimony(v) derivatives: strong Lewis acidic properties and application to the complexation of formaldehyde in aqueous solutions","Chem. Sci.","2016","7","11","6768","","10.1039/C6SC02558G","","","0.71073","MoKα","","0.0531","0.0462","","","0.1323","0.1381","","","","","","1.059","","","","has coordinates,has disorder","188063","2020-10-21","18:00:00",""
"1543652","11.0232","0.0007","15.2532","0.001","28.605","0.002","90","","100.049","0.004","90","","4735.8","0.5","150","2","150","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C44 H31 Cl7 F10 O3 P Sb -","- C42.725 H27.685 Cl7.765 F10 O3 P Sb -","- C170.9 H110.74 Cl31.06 F40 O12 P4 Sb4 -","4","1","","Tofan, Daniel; Gabbaï, François P.","Fluorinated antimony(v) derivatives: strong Lewis acidic properties and application to the complexation of formaldehyde in aqueous solutions","Chem. Sci.","2016","7","11","6768","","10.1039/C6SC02558G","","","0.71073","MoKα","","0.1457","0.1255","","","0.3128","0.3272","","","","","","1.175","","","","has coordinates,has disorder","188063","2020-10-21","18:00:00",""
"1543653","7.5537","0.0002","14.124","0.0005","18.002","0.0006","90","","90","","90","","1920.61","0.11","100","2","100","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C18 H19 Au Cl N3 O S -","- C18 H19 Au Cl N3 O S -","- C72 H76 Au4 Cl4 N12 O4 S4 -","4","1","","Frutos, María; Avello, Marta G.; Viso, Alma; Fernández de la Pradilla, Roberto; de la Torre, María C; Sierra, Miguel A.; Gornitzka, Heinz; Hemmert, Catherine","Gold Sulfinyl Mesoionic Carbenes: Synthesis, Structure, and Catalytic Activity.","Organic letters","2016","18","15","3570","3573","10.1021/acs.orglett.6b01555","","","0.71073","MoKα","","0.0108","0.0104","","","0.024","0.0241","","","","","","1.05","","","","has coordinates","198632","2020-10-21","18:00:00",""
"1543654","10.9737","0.0004","17.4658","0.0007","19.9371","0.0007","90","","90","","90","","3821.2","0.2","100","2","100","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C18 H19 Au Cl N3 O S -","- C18 H19 Au Cl N3 O S -","- C144 H152 Au8 Cl8 N24 O8 S8 -","8","2","","Frutos, María; Avello, Marta G.; Viso, Alma; Fernández de la Pradilla, Roberto; de la Torre, María C; Sierra, Miguel A.; Gornitzka, Heinz; Hemmert, Catherine","Gold Sulfinyl Mesoionic Carbenes: Synthesis, Structure, and Catalytic Activity.","Organic letters","2016","18","15","3570","3573","10.1021/acs.orglett.6b01555","","","0.71073","MoKα","","0.0649","0.0498","","","0.0607","0.0639","","","","","","1.085","","","","has coordinates","198632","2020-10-21","18:00:00",""
"1543655","7.2343","0.0005","11.0385","0.0007","26.4489","0.0018","90","","90","","90","","2112.1","0.2","173","2","173","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C21 H19 Au Cl N3 O2 S -","- C21 H19 Au Cl N3 O2 S -","- C84 H76 Au4 Cl4 N12 O8 S4 -","4","1","","Frutos, María; Avello, Marta G.; Viso, Alma; Fernández de la Pradilla, Roberto; de la Torre, María C; Sierra, Miguel A.; Gornitzka, Heinz; Hemmert, Catherine","Gold Sulfinyl Mesoionic Carbenes: Synthesis, Structure, and Catalytic Activity.","Organic letters","2016","18","15","3570","3573","10.1021/acs.orglett.6b01555","","","0.71073","MoKα","","0.047","0.0305","","","0.0512","0.0549","","","","","","1.028","","","","has coordinates","198632","2020-10-21","18:00:00",""
"1543656","13.1617","0.0006","14.1804","0.0004","7.4923","0.0003","90","","98.758","0.002","90","","1382.04","0.09","295","2","295","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2-Methylpyridinium 2-carboxy-6-nitrobenzoate","","- C14 H12 N2 O6 -","- C14 H12 N2 O6 -","- C56 H48 N8 O24 -","4","1","IS4010","Sivakumar, P.; Sudhahar, S.; Israel, S.; Chakkaravarthi, G.","2-Methylpyridinium 2-carboxy-6-nitrobenzoate","IUCrData","2016","1","7","x161104","","10.1107/S2414314616011044","","","0.71073","MoKα","","0.0972","0.0587","","","0.1373","0.1632","","","","","","1.084","","","","has coordinates,has Fobs","184423","2020-10-21","18:00:00",""
"1543657","6.8692","0.0012","12.221","0.002","11.7933","0.0019","90","","105.726","0.005","90","","953","0.3","302","2","302","2","","","","","","","","3","P 1 21 1","P 2yb","4","","11β-Hydroxymedroxyprogesterone","","- C22 H32 O4 -","- C22 H32 O4 -","- C44 H64 O8 -","2","1","ZL4009","Yusop, Sharifah Nurfazilah Wan; Sultan, Sadia; Yamin, Bohari M.; Shah, Syed Adnan Ali; Naz, Humera","11β-Hydroxymedroxyprogesterone","IUCrData","2016","1","7","x161075","","10.1107/S2414314616010750","","","0.71073","MoKα","","0.0664","0.0535","","","0.1144","0.122","","","","","","1.087","","","","has coordinates,has Fobs","211179","2020-10-21","18:00:00",""
"1543658","8.0636","0.0007","8.4278","0.0007","17.2516","0.0014","90","","91.82","0.002","90","","1171.8","0.17","300","2","300","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Di-μ-bromido-bis[bromido(4,4'-dihydroxy-2,2'-bipyridine-κ^2^<i>N</i>,<i>N</i>')copper(II)]","","- C20 H16 Br4 Cu2 N4 O4 -","- C20 H16 Br4 Cu2 N4 O4 -","- C40 H32 Br8 Cu4 N8 O8 -","2","0.5","","Rodriguez-Santiago, Alan J; Acosta, Carlos; Raptis, Raphael G.","Di-μ-bromido-bis[bromido(4,4'-dihydroxy-2,2'-bipyridine-κ^2^<i>N</i>,<i>N</i>')copper(II)]","IUCrData","2016","1","7","x161029","","10.1107/S2414314616010294","","","0.71073","MoKα","","0.0645","0.0465","","","0.1003","0.106","","","","","","1.163","","","","has coordinates,has Fobs","184425","2020-10-21","18:00:00",""
"1543659","27.471","0.003","7.423","0.0006","31.425","0.003","90","","108.428","0.003","90","","6079.5","1","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Poly[bis[μ-4-(4-carboxyphenoxy)benzoato](μ-4,4'-oxydibenzoato)bis[μ-3-(pyridin-4-yl)-5-(pyridin-3-yl)-1<i>H</i>-1,2,4-triazole]dicadmium(II)]","","- C66 H44 Cd2 N10 O15 -","- C66 H44 Cd2 N10 O15 -","- C264 H176 Cd8 N40 O60 -","4","0.5","","Qi, Xiao-Jin; Yuan, Bing-Nian; Zhang, Kang-Long","Poly[bis[μ-4-(4-carboxyphenoxy)benzoato](μ-4,4'-oxydibenzoato)bis[μ-3-(pyridin-4-yl)-5-(pyridin-3-yl)-1<i>H</i>-1,2,4-triazole]dicadmium(II)]","IUCrData","2016","1","7","x161092","","10.1107/S2414314616010920","","","0.71073","MoKα","","0.0767","0.0467","","","0.0966","0.1074","","","","","","1.043","","","","has coordinates,has Fobs","184426","2020-10-21","18:00:00",""
"1543660","8.3253","0.0004","9.5065","0.0005","9.5909","0.0005","85.526","0.003","70.885","0.003","78.863","0.003","703.62","0.06","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","2-Amino-4-methylpyridinium 2-(3-methylphenyl)acetate","","- C15 H18 N2 O2 -","- C15 H18 N2 O2 -","- C30 H36 N4 O4 -","2","1","VM4010","Sivakumar, P.; Sudhahar, S.; Israel, S.; Chakkaravarthi, G.","2-Amino-4-methylpyridinium 2-(3-methylphenyl)acetate","IUCrData","2016","1","7","x161098","","10.1107/S2414314616010981","","","0.71073","MoKα","","0.0959","0.0498","","","0.1212","0.1495","","","","","","1.024","","","","has coordinates,has Fobs","184427","2020-10-21","18:00:00",""
"1543661","12.8062","0.0018","5.4759","0.0008","15.84","0.002","90","","92.709","0.004","90","","1109.5","0.3","295","2","295","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","1<i>H</i>-Benzo[<i>d</i>]imidazol-3-ium (<i>Z</i>)-3-carboxyprop-2-enoate","","- C11 H10 N2 O4 -","- C11 H10 N2 O4 -","- C44 H40 N8 O16 -","4","1","SJ4052","Amudha, M.; Gunasekaran, B.; Kumar, P. Praveen; Chakkaravarthi, G.","1<i>H</i>-Benzo[<i>d</i>]imidazol-3-ium (<i>Z</i>)-3-carboxyprop-2-enoate","IUCrData","2016","1","7","x161025","","10.1107/S2414314616010257","","","0.71073","MoKα","","0.0857","0.0439","","","0.0999","0.118","","","","","","1.012","","","","has coordinates,has Fobs","184428","2020-10-21","18:00:00",""
"1543662","11.145","0.003","9.878","0.002","18.355","0.004","90","","93.952","0.007","90","","2015.9","0.8","296","2","296.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Ethyl 1-benzyl-2-(3-chlorophenyl)-1<i>H</i>-benzimidazole-5-carboxylate","","- C23 H19 Cl N2 O2 -","- C23 H19 Cl N2 O2 -","- C92 H76 Cl4 N8 O8 -","4","1","HB4064","Kumar, S. Madan; Manasa, D.; Kumar, Vasantha; Poojary, Boja; Byrappa, K.; Abdoh, M. M. M.","Ethyl 1-benzyl-2-(3-chlorophenyl)-1<i>H</i>-benzimidazole-5-carboxylate","IUCrData","2016","1","7","x161068","","10.1107/S2414314616010683","","","0.71075","MoKα","","0.159","0.0776","","","0.1536","0.1846","","","","","","1.04","","","","has coordinates,has Fobs","184429","2020-10-21","18:00:00",""
"1543663","11.1721","0.0007","8.1249","0.0005","28.8799","0.0018","90","","100.213","0.001","90","","2580","0.3","173","2","173","2","","","","","","","","6","P 1 2/n 1","-P 2yac","13","","Poly[[tetramethanolbis[4-oxo-3-(pyridin-4-yl)-1-(2,4,6-trichlorophenyl)-4,5-dihydro-1<i>H</i>-pyrazolo[3,4-<i>d</i>]pyrimidin-6-olato]disodium]–diethyl ether–methanol (1/1/2)]","","- C21 H24 Cl3 N5 Na O5.5 -","- C21 H24 Cl3 N5 Na O5.5 -","- C84 H96 Cl12 N20 Na4 O22 -","4","1","","Abu Thaher, Bassam; Schollmeyer, Dieter; Laufer, Stefan","Poly[[tetramethanolbis[4-oxo-3-(pyridin-4-yl)-1-(2,4,6-trichlorophenyl)-4,5-dihydro-1<i>H</i>-pyrazolo[3,4-<i>d</i>]pyrimidin-6-olato]disodium]–diethyl ether–methanol (1/1/2)]","IUCrData","2016","1","7","x161081","","10.1107/S2414314616010816","","","0.71073","MoKα","","0.066","0.0554","","","0.126","0.1305","","","","","","1.153","","","","has coordinates,has disorder,has Fobs","282761","2023-04-20","06:45:56",""
"1543668","21.953","0.002","19.09","0.002","8.7353","0.0009","90","","108.626","0.005","90","","3469.1","0.6","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C38 H42 B2 N2 S2 -","- C38 H42 B2 N2 S2 -","- C152 H168 B8 N8 S8 -","4","0.5","","Zhang, Wanzheng; Zhang, Fan; Tang, Ruizhi; Fu, Yubin; Wang, Xinyang; Zhuang, Xiaodong; He, Gufeng; Feng, Xinliang","Angular BN-Heteroacenes with syn-Structure-Induced Promising Properties as Host Materials of Blue Organic Light-Emitting Diodes.","Organic letters","2016","18","15","3618","3621","10.1021/acs.orglett.6b01659","","","0.71073","MoKα","","0.0812","0.0553","","","0.1559","0.1826","","","","","","1.026","","","","has coordinates","187957","2020-10-21","18:00:00",""
"1543669","28.5686","0.001","10.069","0.0004","7.7705","0.0003","90","","90","","90","","2235.24","0.15","100","2","100.15","","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C30 H22 B2 N2 -","- C30 H22 B2 N2 -","- C120 H88 B8 N8 -","4","0.5","","Zhang, Wanzheng; Zhang, Fan; Tang, Ruizhi; Fu, Yubin; Wang, Xinyang; Zhuang, Xiaodong; He, Gufeng; Feng, Xinliang","Angular BN-Heteroacenes with syn-Structure-Induced Promising Properties as Host Materials of Blue Organic Light-Emitting Diodes.","Organic letters","2016","18","15","3618","3621","10.1021/acs.orglett.6b01659","","","1.54184","CuKα","","0.0589","0.0546","","","0.1486","0.1557","","","","","","1.049","","","","has coordinates","187957","2020-10-21","18:00:00",""
"1543670","5.232","0.0004","9.9727","0.0009","19.99","0.0018","90","","97.5196","0.0018","90","","1034.05","0.15","302","2","302","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(<i>E</i>)-1-(4-Hydroxybenzylidene)-4-methylthiosemicarbazide","","- C9 H11 N3 O S -","- C9 H11 N3 O S -","- C36 H44 N12 O4 S4 -","4","1","HG4008","Kassim, Karimah; Hashim, Nor Zakiah Nor; M.Yamin, Bohari; Zaki, Hamizah Mohd","(<i>E</i>)-1-(4-Hydroxybenzylidene)-4-methylthiosemicarbazide","IUCrData","2016","1","7","x161048","","10.1107/S2414314616010488","","","0.71073","MoKα","","0.068","0.048","","","0.1164","0.1295","","","","","","1.056","","","","has coordinates,has Fobs","211179","2020-10-21","18:00:00",""
"1543671","18.4827","0.0012","9.8467","0.0006","22.0681","0.0015","90","","90","","90","","4016.3","0.4","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","Ethyl 2-(4-cyanophenyl)-1-(4-fluorobenzyl)-1<i>H</i>-benzo[<i>d</i>]imidazole-5-carboxylate","","- C24 H18 F N3 O2 -","- C23.9999 H17.9995 F N3 O2 -","- C191.999 H143.996 F8 N24 O16 -","8","1","","Madan Kumar, S.; Vasantha, Kumar; Boja, Poojary; Byrappa, K.; Warad, Ismail","Ethyl 2-(4-cyanophenyl)-1-(4-fluorobenzyl)-1<i>H</i>-benzo[<i>d</i>]imidazole-5-carboxylate","IUCrData","2016","1","7","x161124","","10.1107/S241431461601124X","","","0.71075","MoKα","","0.1097","0.0587","","","0.1059","0.1214","","","","","","1.059","","","","has coordinates,has disorder,has Fobs","184488","2020-10-21","18:00:00",""
"1543672","7.0564","0.0004","7.8593","0.0005","24.1907","0.0018","90","","90","","90","","1341.58","0.15","295","2","295","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","2-Amino-1-methyl-4-oxo-4,5-dihydro-1<i>H</i>-imidazol-3-ium 4-methylbenzenesulfonate","","- C11 H15 N3 O4 S -","- C11 H15 N3 O4 S -","- C44 H60 N12 O16 S4 -","4","1","SU4059","Thayanithi, V.; Kumar, P. Praveen; Chakkaravarthi, G.","2-Amino-1-methyl-4-oxo-4,5-dihydro-1<i>H</i>-imidazol-3-ium 4-methylbenzenesulfonate","IUCrData","2016","1","7","x161125","","10.1107/S2414314616011251","","","0.71073","MoKα","","0.0514","0.0411","","","0.1028","0.11","","","","","","1.046","","","","has coordinates,has Fobs","184489","2020-10-21","18:00:00",""
"1543673","7.915","0.007","12.1641","0.001","17.255","0.014","69.51","0.02","79.5","0.02","82.93","0.03","1527","1.8","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","4-[2-(1,3-Dioxoisoindolin-2-yl)-1,3-thiazol-4-yl]benzonitrile","","- C18 H9 N3 O2 S -","- C18 H9 N3 O2 S -","- C72 H36 N12 O8 S4 -","4","2","ZP4007","Saravanan, K.; Divakar, S.; Elancheran, R.; Kabilan, S.; Selvanayagam, S.","4-[2-(1,3-Dioxoisoindolin-2-yl)-1,3-thiazol-4-yl]benzonitrile","IUCrData","2016","1","7","x161117","","10.1107/S2414314616011172","","","0.71073","MoKα","","0.0944","0.0584","","","0.1545","0.1827","","","","","","1.024","","","","has coordinates,has Fobs","184490","2020-10-21","18:00:00",""
"1543674","7.514","0.0002","10.3737","0.0003","17.8484","0.0005","90","","90","","90","","1391.25","0.07","296","2","296","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","1-Allyl-5-(2,5-dimethyl-1<i>H</i>-pyrrol-1-yl)-1<i>H</i>-indazole","","- C16 H17 N3 -","- C16 H17 N3 -","- C64 H68 N12 -","4","1","SU4060","El Ghozlani, Mohamed; Rais, Adiba; Rakib, El Mostapha; Mojahidi, Souad; Saadi, Mohamed; El Ammari, Lahcen","1-Allyl-5-(2,5-dimethyl-1<i>H</i>-pyrrol-1-yl)-1<i>H</i>-indazole","IUCrData","2016","1","7","x161121","","10.1107/S2414314616011214","","","0.71073","MoKα","","0.078","0.0446","","","0.0967","0.1128","","","","","","1.03","","","","has coordinates,has disorder,has Fobs","184491","2020-10-21","18:00:00",""
"1543675","9.3621","0.0002","11.3559","0.0002","15.192","0.0003","90","","98.0838","0.0018","90","","1599.09","0.05","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","5,7,12,14-Tetrahydro-5,14:7,12-bis([1,2]benzeno)pentacene-6,13-diol dimethylformamide disolvate","","- C40 H36 N2 O4 -","- C40 H36 N2 O4 -","- C80 H72 N4 O8 -","2","0.5","ZL4010","Nozari, Mohammad; Kaur, Manpreet; Jasinski, Jerry P.; Addison, Anthony W.; Arabi Shamsabadi, Ahmad; Soroush, Masoud","5,7,12,14-Tetrahydro-5,14:7,12-bis([1,2]benzeno)pentacene-6,13-diol dimethylformamide disolvate","IUCrData","2016","1","7","x161130","","10.1107/S2414314616011305","","","1.54184","CuKα","","0.0559","0.0511","","","0.1379","0.1438","","","","","","1.035","","","","has coordinates,has Fobs","184492","2020-10-21","18:00:00",""
"1543676","7.416","0.003","10.2","0.005","18.519","0.011","90","","90","","90","","1400.8","1.2","293","","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C15 H20 O4 -","- C15 H20 O4 -","- C60 H80 O16 -","4","1","","Liu, Jimei; Zhang, Dewu; Zhang, Min; Zhao, Jinlian; Chen, Ridao; Wang, Nan; Zhang, Dan; Dai, Jungui","Eremophilane Sesquiterpenes from an Endophytic FungusPericoniaSpecies","Journal of Natural Products","2016","","","","","10.1021/acs.jnatprod.6b00299","","","1.54187","CuKα","","0.0406","0.0383","","","0.1011","0.1041","","","","","","1.057","","","","has coordinates","184519","2020-10-21","18:00:00",""
"1543677","12.078","0.0005","10.4524","0.0005","18.2579","0.0008","90","","93.831","0.002","90","","2299.8","0.18","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C23 H25 Cl2 N3 O4 S -","- C23 H25 Cl2 N3 O4 S -","- C92 H100 Cl8 N12 O16 S4 -","4","1","","Dalvi, Prashant B.; Lin, Kuang-Ling; Kulkarni, Manohar V.; Sun, Chung-Ming","Rhodium-Catalyzed Regioselective Synthesis of Isocoumarins through Benzothiadiazine-Fused Frameworks.","Organic letters","2016","18","15","3706","3709","10.1021/acs.orglett.6b01408","","","0.71073","MoKα","","0.0369","0.031","","","0.0891","0.107","","","","","","1.139","","","","has coordinates","187953","2020-10-21","18:00:00",""
"1543678","10.4885","0.0003","12.1708","0.0004","14.9547","0.0004","90","","97.746","0.001","90","","1891.6","0.1","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C19 H18 Cl N3 O5 S -","- C19 H18 Cl N3 O5 S -","- C76 H72 Cl4 N12 O20 S4 -","4","1","","Dalvi, Prashant B.; Lin, Kuang-Ling; Kulkarni, Manohar V.; Sun, Chung-Ming","Rhodium-Catalyzed Regioselective Synthesis of Isocoumarins through Benzothiadiazine-Fused Frameworks.","Organic letters","2016","18","15","3706","3709","10.1021/acs.orglett.6b01408","","","0.71073","MoKα","","0.0372","0.0296","","","0.0887","0.1047","","","","","","1.158","","","","has coordinates","187953","2020-10-21","18:00:00",""
"1543679","10.3849","0.0004","11.4904","0.0005","12.6969","0.0005","91.474","0.002","97.59","0.002","115.976","0.002","1344.14","0.1","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C32 H25 N3 O5 S -","- C32 H25 N3 O5 S -","- C64 H50 N6 O10 S2 -","2","1","","Dalvi, Prashant B.; Lin, Kuang-Ling; Kulkarni, Manohar V.; Sun, Chung-Ming","Rhodium-Catalyzed Regioselective Synthesis of Isocoumarins through Benzothiadiazine-Fused Frameworks.","Organic letters","2016","18","15","3706","3709","10.1021/acs.orglett.6b01408","","","0.71073","MoKα","","0.0601","0.0417","","","0.1018","0.1134","","","","","","1.044","","","","has coordinates","187953","2020-10-21","18:00:00",""
"1543680","5.2273","0.0002","23.0379","0.0011","15.5364","0.0008","90","","95.558","0.001","90","","1862.19","0.15","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C19 H18 Cl N3 O5 S -","- C19 H18 Cl N3 O5 S -","- C76 H72 Cl4 N12 O20 S4 -","4","1","","Dalvi, Prashant B.; Lin, Kuang-Ling; Kulkarni, Manohar V.; Sun, Chung-Ming","Rhodium-Catalyzed Regioselective Synthesis of Isocoumarins through Benzothiadiazine-Fused Frameworks.","Organic letters","2016","18","15","3706","3709","10.1021/acs.orglett.6b01408","","","0.71073","MoKα","","0.0697","0.0531","","","0.1469","0.1745","","","","","","1.13","","","","has coordinates","187953","2020-10-21","18:00:00",""
"1543681","29.545","0.005","8.1425","0.0013","18.909","0.003","90","","128.727","0.002","90","","3548.8","1","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C18 H29 N Si -","- C18 H29 N Si -","- C144 H232 N8 Si8 -","8","1","","Zhou, Shuguang; Wang, Jinhu; Wang, Lili; Chen, Kehao; Song, Chao; Zhu, Jin","Co(III)-Catalyzed, Internal and Terminal Alkyne-Compatible Synthesis of Indoles","Organic Letters","2016","","","","","10.1021/acs.orglett.6b01805","","","0.71073","MoKα","","0.0755","0.0492","","","0.137","0.1546","","","","","","1.033","","","","has coordinates","184524","2020-10-21","18:00:00",""
"1543682","13.9118","0.0003","10.37486","0.00019","20.6696","0.0004","90","","103.929","0.0007","90","","2895.58","0.1","173","","173","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Bis[<i>S</i>-hexyl 3-(thiophen-2-ylmethylidene)dithiocarbazato-κ^2^<i>N</i>^3^,<i>S</i>]palladium(II)","","- C24 H34 N4 Pd S6 -","- C24 H34 N4 Pd S6 -","- C96 H136 N16 Pd4 S24 -","4","1","","Begum, K.; Sheikh, M. C.; Miyatake, R.; Zangrando, E.; Begum, M. S.","Bis[<i>S</i>-hexyl 3-(thiophen-2-ylmethylidene)dithiocarbazato-κ^2^<i>N</i>^3^,<i>S</i>]palladium(II)","IUCrData","2016","1","7","x161132","","10.1107/S2414314616011329","","","0.71075","MoKα","","","0.0206","","","","0.0554","","","","","","1.079","","","","has coordinates,has Fobs","184533","2020-10-21","18:00:00",""
"1543683","12.4679","0.0012","11.9467","0.0011","9.5278","0.0008","90","","95.701","0.007","90","","1412.1","0.2","273","2","273.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","2-[(5-Amino-1,3,4-thiadiazol-2-yl)sulfanyl]-<i>N</i>-(2,4,5-trichlorophenyl)acetamide","","- C10 H7 Cl3 N4 O S2 -","- C10 H7 Cl3 N4 O S2 -","- C40 H28 Cl12 N16 O4 S8 -","4","1","SU4061","Madan Kumar, S.; Madhu Kumar, D. J.; Shivakumar, H. P.; Jagadeesha Prasad, D.; Byrappa, K.; Abdoh, M. M. M.","2-[(5-Amino-1,3,4-thiadiazol-2-yl)sulfanyl]-<i>N</i>-(2,4,5-trichlorophenyl)acetamide","IUCrData","2016","1","7","x161123","","10.1107/S2414314616011238","","","0.71075","MoKα","","0.0757","0.0507","","","0.1177","0.1283","","","","","","1.094","","","","has coordinates,has Fobs","184534","2020-10-21","18:00:00",""
"1543684","12.2526","0.0008","6.6872","0.0003","16.6376","0.0012","90","","103.836","0.004","90","","1323.66","0.14","295","2","295","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","2-Amino-3-methylpyridinium 4-methoxybenzoate","","- C14 H16 N2 O3 -","- C14 H16 N2 O3 -","- C56 H64 N8 O12 -","4","1","SU4062","Sivakumar, P.; Devi, R. Niranjana; Israel, S.; Chakkaravarthi, G.","2-Amino-3-methylpyridinium 4-methoxybenzoate","IUCrData","2016","1","7","x161126","","10.1107/S2414314616011263","","","0.71073","MoKα","","0.1069","0.0531","","","0.1213","0.1506","","","","","","1.075","","","","has coordinates,has Fobs","184535","2020-10-21","18:00:00",""
"1543685","10.124","0.002","10.455","0.003","17.03","0.004","90.017","0.005","94.225","0.007","109.592","0.006","1693","0.7","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C40 H44 N2 O4 -","- C40 H44 N2 O4 -","- C80 H88 N4 O8 -","2","1","","Xin, Hanshen; Ge, Congwu; Yang, Xiaodi; Gao, Honglei; Yang, Xiaochun; Gao, Xike","Biazulene diimides: a new building block for organic electronic materials","Chem. Sci.","2016","7","11","6701","","10.1039/C6SC02504H","","","0.71073","MoKα","","0.1956","0.0785","","","0.1806","0.2416","","","","","","0.99","","","","has coordinates,has disorder","188061","2020-10-21","18:00:00",""
"1543686","11.1262","0.0001","13.0303","0.0002","23.6869","0.0002","84.976","0.001","80.666","0.001","80.653","0.001","3337","0.07","20","","20.15","","","","","","","","","5","P -1","-P 1","2","","","","- C60 H106 Co3 N2 O12 -","- C60 H106 Co3 N2 O12 -","- C120 H212 Co6 N4 O24 -","2","1","","Overgaard, Jacob; Møller, Louise H; Borup, Mette A.; Tricoire, Maxime; Walsh, James P. S.; Diehl, Marcel; Rentschler, Eva","Magnetism and variable temperature and pressure crystal structures of a linear oligonuclear cobalt bis-semiquinonate.","Dalton transactions (Cambridge, England : 2003)","2016","45","32","12924","12932","10.1039/c6dt02024k","","","0.4997","","","0.0649","0.046","","","0.1087","0.1179","","","","","","1.139","","","","has coordinates,has disorder","186442","2020-10-21","18:00:00",""
"1543687","11.1253","0.0001","13.03","0.0002","23.6966","0.0002","84.996","0.001","80.775","0.001","80.651","0.001","3339.05","0.07","40","","40.15","","","","","","","","","5","P -1","-P 1","2","","","","- C60 H106 Co3 N2 O12 -","- C60 H106 Co3 N2 O12 -","- C120 H212 Co6 N4 O24 -","2","1","","Overgaard, Jacob; Møller, Louise H; Borup, Mette A.; Tricoire, Maxime; Walsh, James P. S.; Diehl, Marcel; Rentschler, Eva","Magnetism and variable temperature and pressure crystal structures of a linear oligonuclear cobalt bis-semiquinonate.","Dalton transactions (Cambridge, England : 2003)","2016","45","32","12924","12932","10.1039/c6dt02024k","","","0.4997","","","0.0689","0.0464","","","0.1046","0.114","","","","","","1.089","","","","has coordinates,has disorder","186442","2020-10-21","18:00:00",""
"1543688","11.141","0.0005","13.0395","0.0005","23.719","0.001","84.992","0.006","80.834","0.006","80.683","0.006","3350.2","0.3","60","","60.15","","","","","","","","","5","P -1","-P 1","2","","","","- C60 H106 Co3 N2 O12 -","- C60 H106 Co3 N2 O12 -","- C120 H212 Co6 N4 O24 -","2","1","","Overgaard, Jacob; Møller, Louise H; Borup, Mette A.; Tricoire, Maxime; Walsh, James P. S.; Diehl, Marcel; Rentschler, Eva","Magnetism and variable temperature and pressure crystal structures of a linear oligonuclear cobalt bis-semiquinonate.","Dalton transactions (Cambridge, England : 2003)","2016","45","32","12924","12932","10.1039/c6dt02024k","","","0.4997","","","0.0694","0.0477","","","0.1094","0.1201","","","","","","1.095","","","","has coordinates,has disorder","186442","2020-10-21","18:00:00",""
"1543689","11.1496","0.0005","13.0524","0.0006","23.7319","0.0011","84.994","0.006","80.842","0.006","80.675","0.006","3357.9","0.3","80","","80.15","","","","","","","","","5","P -1","-P 1","2","","","","- C60 H106 Co3 N2 O12 -","- C60 H106 Co3 N2 O12 -","- C120 H212 Co6 N4 O24 -","2","1","","Overgaard, Jacob; Møller, Louise H; Borup, Mette A.; Tricoire, Maxime; Walsh, James P. S.; Diehl, Marcel; Rentschler, Eva","Magnetism and variable temperature and pressure crystal structures of a linear oligonuclear cobalt bis-semiquinonate.","Dalton transactions (Cambridge, England : 2003)","2016","45","32","12924","12932","10.1039/c6dt02024k","","","0.4997","","","0.0715","0.0496","","","0.1088","0.1176","","","","","","1.145","","","","has coordinates,has disorder","186442","2020-10-21","18:00:00",""
"1543690","11.1631","0.0003","13.0585","0.0003","23.7733","0.0005","84.9778","0.0018","80.6354","0.0018","80.772","0.002","3368.35","0.14","89.9","0.2","89.9","0.2","","","","","","","","5","P -1","-P 1","2","","","","- C60 H106 Co3 N2 O12 -","- C60 H106 Co3 N2 O12 -","- C120 H212 Co6 N4 O24 -","2","1","","Overgaard, Jacob; Møller, Louise H; Borup, Mette A.; Tricoire, Maxime; Walsh, James P. S.; Diehl, Marcel; Rentschler, Eva","Magnetism and variable temperature and pressure crystal structures of a linear oligonuclear cobalt bis-semiquinonate.","Dalton transactions (Cambridge, England : 2003)","2016","45","32","12924","12932","10.1039/c6dt02024k","","x-ray","0.71073","MoKα","","0.0572","0.0396","","","0.0874","0.0973","","","","","","1.049","","","","has coordinates,has disorder","186442","2020-10-21","18:00:00",""
"1543691","11.1736","0.0003","13.0734","0.0004","23.8027","0.0007","85.002","0.002","80.744","0.003","80.73","0.003","3380.24","0.17","99.97","0.13","99.97","0.13","","","","","","","","5","P -1","-P 1","2","","","","- C60 H106 Co3 N2 O12 -","- C60 H106 Co3 N2 O12 -","- C120 H212 Co6 N4 O24 -","2","1","","Overgaard, Jacob; Møller, Louise H; Borup, Mette A.; Tricoire, Maxime; Walsh, James P. S.; Diehl, Marcel; Rentschler, Eva","Magnetism and variable temperature and pressure crystal structures of a linear oligonuclear cobalt bis-semiquinonate.","Dalton transactions (Cambridge, England : 2003)","2016","45","32","12924","12932","10.1039/c6dt02024k","","x-ray","0.71073","MoKα","","0.0539","0.0391","","","0.0878","0.0966","","","","","","1.053","","","","has coordinates,has disorder","186442","2020-10-21","18:00:00",""
"1543692","11.1802","0.0002","13.0996","0.0002","23.8188","0.0004","84.9528","0.0014","80.7062","0.0016","80.7735","0.0015","3391.17","0.1","126","3","126","3","","","","","","","","5","P -1","-P 1","2","","","","- C60 H106 Co3 N2 O12 -","- C60 H106 Co3 N2 O12 -","- C120 H212 Co6 N4 O24 -","2","1","","Overgaard, Jacob; Møller, Louise H; Borup, Mette A.; Tricoire, Maxime; Walsh, James P. S.; Diehl, Marcel; Rentschler, Eva","Magnetism and variable temperature and pressure crystal structures of a linear oligonuclear cobalt bis-semiquinonate.","Dalton transactions (Cambridge, England : 2003)","2016","45","32","12924","12932","10.1039/c6dt02024k","","x-ray","0.71073","MoKα","","0.0629","0.0416","","","0.1068","0.1201","","","","","","1.225","","","","has coordinates,has disorder","186442","2020-10-21","18:00:00",""
"1543693","11.1939","0.0005","13.1136","0.0006","23.7996","0.0008","84.866","0.003","80.75","0.003","80.803","0.004","3396.5","0.2","150.1","0.3","150.1","0.3","","","","","","","","5","P -1","-P 1","2","","","","- C60 H106 Co3 N2 O12 -","- C60 H106 Co3 N2 O12 -","- C120 H212 Co6 N4 O24 -","2","1","","Overgaard, Jacob; Møller, Louise H; Borup, Mette A.; Tricoire, Maxime; Walsh, James P. S.; Diehl, Marcel; Rentschler, Eva","Magnetism and variable temperature and pressure crystal structures of a linear oligonuclear cobalt bis-semiquinonate.","Dalton transactions (Cambridge, England : 2003)","2016","45","32","12924","12932","10.1039/c6dt02024k","","x-ray","0.71073","MoKα","","0.0634","0.0409","","","0.1062","0.1184","","","","","","1.254","","","","has coordinates,has disorder","186442","2020-10-21","18:00:00",""
"1543694","11.1908","0.0002","13.1253","0.0002","23.8212","0.0004","84.9081","0.0014","80.7814","0.0017","80.7381","0.0016","3401.57","0.1","175.01","0.1","175.01","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C60 H106 Co3 N2 O12 -","- C60 H106 Co3 N2 O12 -","- C120 H212 Co6 N4 O24 -","2","1","","Overgaard, Jacob; Møller, Louise H; Borup, Mette A.; Tricoire, Maxime; Walsh, James P. S.; Diehl, Marcel; Rentschler, Eva","Magnetism and variable temperature and pressure crystal structures of a linear oligonuclear cobalt bis-semiquinonate.","Dalton transactions (Cambridge, England : 2003)","2016","45","32","12924","12932","10.1039/c6dt02024k","","x-ray","0.71073","MoKα","","0.0705","0.0443","","","0.1147","0.1282","","","","","","1.305","","","","has coordinates,has disorder","186442","2020-10-21","18:00:00",""
"1543695","11.2147","0.0004","13.1564","0.0005","23.8767","0.0008","84.904","0.003","80.795","0.003","80.717","0.003","3424.8","0.2","200","0.1","200","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C60 H106 Co3 N2 O12 -","- C60 H106 Co3 N2 O12 -","- C120 H212 Co6 N4 O24 -","2","1","","Overgaard, Jacob; Møller, Louise H; Borup, Mette A.; Tricoire, Maxime; Walsh, James P. S.; Diehl, Marcel; Rentschler, Eva","Magnetism and variable temperature and pressure crystal structures of a linear oligonuclear cobalt bis-semiquinonate.","Dalton transactions (Cambridge, England : 2003)","2016","45","32","12924","12932","10.1039/c6dt02024k","","x-ray","0.71073","MoKα","","0.0761","0.0465","","","0.121","0.1347","","","","","","1.353","","","","has coordinates,has disorder","186442","2020-10-21","18:00:00",""
"1543696","11.2253","0.0003","13.1918","0.0005","23.8945","0.0006","84.898","0.003","80.845","0.002","80.685","0.003","3439.95","0.18","225.01","0.15","225.01","0.15","","","","","","","","5","P -1","-P 1","2","","","","- C60 H106 Co3 N2 O12 -","- C60 H106 Co3 N2 O12 -","- C120 H212 Co6 N4 O24 -","2","1","","Overgaard, Jacob; Møller, Louise H; Borup, Mette A.; Tricoire, Maxime; Walsh, James P. S.; Diehl, Marcel; Rentschler, Eva","Magnetism and variable temperature and pressure crystal structures of a linear oligonuclear cobalt bis-semiquinonate.","Dalton transactions (Cambridge, England : 2003)","2016","45","32","12924","12932","10.1039/c6dt02024k","","x-ray","0.71073","MoKα","","0.1697","0.1005","","","0.2559","0.3543","","","","","","1.013","","","","has coordinates,has disorder","186442","2020-10-21","18:00:00",""
"1543697","14.6567","0.0016","17.3207","0.0017","23.808","0.002","99.402","0.006","105.188","0.007","96.155","0.006","5682.7","1","296","2","296.15","","","","","","","","","5","P -1","-P 1","2","","","","- C60 H106 Co3 N2 O12 -","- C60 H103.5 Co3 N2 O12 -","- C240 H414 Co12 N8 O48 -","4","2","","Overgaard, Jacob; Møller, Louise H; Borup, Mette A.; Tricoire, Maxime; Walsh, James P. S.; Diehl, Marcel; Rentschler, Eva","Magnetism and variable temperature and pressure crystal structures of a linear oligonuclear cobalt bis-semiquinonate.","Dalton transactions (Cambridge, England : 2003)","2016","45","32","12924","12932","10.1039/c6dt02024k","","","0.56086","AgKα","","0.1038","0.0663","","","0.1559","0.1778","","","","","","1.026","","","","has coordinates","186442","2020-10-21","18:00:00",""
"1543698","14.527","0.0019","17.177","0.002","23.735","0.002","99.475","0.008","105.533","0.008","95.668","0.008","5564.5","1.1","296","2","296.15","","","","","","","","","5","P -1","-P 1","2","","","","- C60 H106 Co3 N2 O12 -","- C60 H103.5 Co3 N2 O12 -","- C240 H414 Co12 N8 O48 -","4","2","","Overgaard, Jacob; Møller, Louise H; Borup, Mette A.; Tricoire, Maxime; Walsh, James P. S.; Diehl, Marcel; Rentschler, Eva","Magnetism and variable temperature and pressure crystal structures of a linear oligonuclear cobalt bis-semiquinonate.","Dalton transactions (Cambridge, England : 2003)","2016","45","32","12924","12932","10.1039/c6dt02024k","","","0.56086","AgKα","","0.1464","0.0903","","","0.2122","0.2534","","","","","","1.034","","","","has coordinates","186442","2020-10-21","18:00:00",""
"1543699","10.9575","0.0016","12.7764","0.0013","23.2676","0.0013","84.691","0.007","81.325","0.008","80.721","0.01","3170.2","0.6","295.6","0.3","295.6","0.3","","","","","","","","5","P -1","-P 1","2","","","","- C60 H106 Co3 N2 O12 -","- C60 H106 Co3 N2 O12 -","- C120 H212 Co6 N4 O24 -","2","1","","Overgaard, Jacob; Møller, Louise H; Borup, Mette A.; Tricoire, Maxime; Walsh, James P. S.; Diehl, Marcel; Rentschler, Eva","Magnetism and variable temperature and pressure crystal structures of a linear oligonuclear cobalt bis-semiquinonate.","Dalton transactions (Cambridge, England : 2003)","2016","45","32","12924","12932","10.1039/c6dt02024k","","x-ray","0.71073","MoKα","","0.1348","0.084","","","0.1859","0.2236","","","","","","1.057","","","","has coordinates,has disorder","186442","2020-10-21","18:00:00",""
"1543700","10.664","0.003","12.768","0.002","23.2107","0.0019","84.712","0.01","81.583","0.013","81.279","0.019","3082.2","1","295.5","0.4","295.5","0.4","","","","","","","","5","P -1","-P 1","2","","","","- C60 H106 Co3 N2 O12 -","- C60 H106 Co3 N2 O12 -","- C120 H212 Co6 N4 O24 -","2","1","","Overgaard, Jacob; Møller, Louise H; Borup, Mette A.; Tricoire, Maxime; Walsh, James P. S.; Diehl, Marcel; Rentschler, Eva","Magnetism and variable temperature and pressure crystal structures of a linear oligonuclear cobalt bis-semiquinonate.","Dalton transactions (Cambridge, England : 2003)","2016","45","32","12924","12932","10.1039/c6dt02024k","","x-ray","0.71073","MoKα","","0.141","0.0836","","","0.1942","0.2408","","","","","","1.07","","","","has coordinates,has disorder","186442","2020-10-21","18:00:00",""
"1543701","10.472","0.003","12.763","0.003","23.102","0.002","84.771","0.012","81.525","0.015","81.41","0.02","3012.2","1.2","295","1","295","1","","","","","","","","5","P -1","-P 1","2","","","","- C60 H106 Co3 N2 O12 -","- C60 H106 Co3 N2 O12 -","- C120 H212 Co6 N4 O24 -","2","1","","Overgaard, Jacob; Møller, Louise H; Borup, Mette A.; Tricoire, Maxime; Walsh, James P. S.; Diehl, Marcel; Rentschler, Eva","Magnetism and variable temperature and pressure crystal structures of a linear oligonuclear cobalt bis-semiquinonate.","Dalton transactions (Cambridge, England : 2003)","2016","45","32","12924","12932","10.1039/c6dt02024k","","x-ray","0.71073","MoKα","","0.171","0.1064","","","0.2665","0.3361","","","","","","1.042","","","","has coordinates,has disorder","186442","2020-10-21","18:00:00",""
"1543702","11.275","0.004","13.288","0.004","24.031","0.007","84.662","0.009","81.022","0.009","80.548","0.009","3499.6","1.9","297","","297","","","","","","","","","5","P -1","-P 1","2","","","","- C60 H106 Co3 N2 O12 -","- C60 H106 Co3 N2 O12 -","- C120 H212 Co6 N4 O24 -","2","1","","Overgaard, Jacob; Møller, Louise H; Borup, Mette A.; Tricoire, Maxime; Walsh, James P. S.; Diehl, Marcel; Rentschler, Eva","Magnetism and variable temperature and pressure crystal structures of a linear oligonuclear cobalt bis-semiquinonate.","Dalton transactions (Cambridge, England : 2003)","2016","45","32","12924","12932","10.1039/c6dt02024k","","","0.56086","AgKα","","0.0683","0.0454","","","0.1305","0.1588","","","","","","1.057","","","","has coordinates,has disorder","186442","2020-10-21","18:00:00",""
"1543703","14.1952","0.0006","10.5165","0.0004","22.0684","0.0009","90","","108.529","0.001","90","","3123.7","0.2","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C20 H14 N2 O2 -","- C20 H14 N2 O2 -","- C160 H112 N16 O16 -","8","2","","Hao, Xin-Qi; Du, Cong; Zhu, Xinju; Li, Peng-Xiang; Zhang, Jia-Heng; Niu, Jun-Long; Song, Mao-Ping","Cobalt(II)-Catalyzed Decarboxylative C-H Activation/Annulation Cascades: Regioselective Access to Isoquinolones and Isoindolinones.","Organic letters","2016","18","15","3610","3613","10.1021/acs.orglett.6b01632","","","0.71073","MoKα","","0.062","0.0426","","","0.101","0.1123","","","","","","1.044","","","","has coordinates","214153","2020-10-21","18:00:00",""
"1543704","10.283","0.0001","18.3022","0.0001","15.6495","0.0001","90","","108.079","0.001","90","","2799.85","0.04","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(IPr)PBr3","","- C27 H36 Br3 N2 P -","- C27 H36 Br3 N2 P -","- C108 H144 Br12 N8 P4 -","4","1","","Waters, Jordan; Everitt, Thomas; Myers, William; Goicoechea, Jose M.","N-heterocyclic carbene induced reductive coupling of phosphorus tribromide. Isolation of a bromine bridged P‒P bond and its subsequent reactivity.","Chem. Sci.","2016","","","","","10.1039/C6SC02343F","","","1.54178","CuKα","","0.0242","0.0236","","","0.0577","0.058","","","","","","1.138","","","","has coordinates","184564","2020-10-21","18:00:00",""
"1543705","12.7442","0.0006","15.5789","0.0007","18.8569","0.0006","76.13","0.003","81.932","0.003","68.427","0.004","3374.4","0.3","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","[{(IPr)PBr}2Br]Br*3THF","","- C66 H96 Br4 N4 O3 P2 -","- C66 H96 Br4 N4 O3 P2 -","- C132 H192 Br8 N8 O6 P4 -","2","1","","Waters, Jordan; Everitt, Thomas; Myers, William; Goicoechea, Jose M.","N-heterocyclic carbene induced reductive coupling of phosphorus tribromide. Isolation of a bromine bridged P‒P bond and its subsequent reactivity.","Chem. Sci.","2016","","","","","10.1039/C6SC02343F","","","1.54178","CuKα","","0.0469","0.0447","","","0.1335","0.1358","","","","","","1.021","","","","has coordinates,has disorder","184564","2020-10-21","18:00:00",""
"1543706","12.8207","0.0001","23.5342","0.0003","30.8558","0.0004","90.475","0.001","99.027","0.001","105.727","0.001","8837.79","0.18","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","[{(IPr)PBr}2Br][BArF]","","- C86 H84 B Br3 F24 N4 P2 -","- C86 H84 B Br3 F24 N4 P2 -","- C344 H336 B4 Br12 F96 N16 P8 -","4","2","","Waters, Jordan; Everitt, Thomas; Myers, William; Goicoechea, Jose M.","N-heterocyclic carbene induced reductive coupling of phosphorus tribromide. Isolation of a bromine bridged P‒P bond and its subsequent reactivity.","Chem. Sci.","2016","","","","","10.1039/C6SC02343F","","","1.54178","CuKα","","0.0473","0.0427","","","0.1163","0.1209","","","","","","1.025","","","","has coordinates,has disorder","184564","2020-10-21","18:00:00",""
"1543707","12.8045","0.0004","16.4182","0.0005","17.5699","0.0004","73.042","0.002","84.65","0.002","67.727","0.003","3268.83","0.18","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","[P2(IPr)2Br2][BArF]2*C6H4F2","","- C130 H104 B2 Br2 F52 N4 P2 -","- C130 H104 B2 Br2 F52 N4 P2 -","- C130 H104 B2 Br2 F52 N4 P2 -","1","0.5","","Waters, Jordan; Everitt, Thomas; Myers, William; Goicoechea, Jose M.","N-heterocyclic carbene induced reductive coupling of phosphorus tribromide. Isolation of a bromine bridged P‒P bond and its subsequent reactivity.","Chem. Sci.","2016","","","","","10.1039/C6SC02343F","","","1.54178","CuKα","","0.0605","0.057","","","0.1597","0.1636","","","","","","1.061","","","","has coordinates,has disorder","184564","2020-10-21","18:00:00",""
"1543708","12.9265","0.0001","19.5862","0.0002","25.8965","0.0003","91.462","0.001","100.922","0.001","103.341","0.001","6247.54","0.11","150","2","150","2","","","","","","","","8","P -1","-P 1","2","","[P2(IPr)2Br2][BArF]2*1.5CH2Cl2","","- C119.5 H99 B2 Br2 Cl3 F48 N4 P2 -","- C119.5 H99 B2 Br2 Cl3 F48 N4 P2 -","- C239 H198 B4 Br4 Cl6 F96 N8 P4 -","2","1","","Waters, Jordan; Everitt, Thomas; Myers, William; Goicoechea, Jose M.","N-heterocyclic carbene induced reductive coupling of phosphorus tribromide. Isolation of a bromine bridged P‒P bond and its subsequent reactivity.","Chem. Sci.","2016","","","","","10.1039/C6SC02343F","","","1.54178","CuKα","","0.0632","0.0595","","","0.1558","0.1594","","","","","","1.054","","","","has coordinates,has disorder","184564","2020-10-21","18:00:00",""
"1543709","21.5603","0.0002","26.1169","0.0002","22.7679","0.0002","90","","111.375","0.001","90","","11938.5","0.2","150","2","150","2","","","","","","","","7","I 1 a 1","I -2ya","9","","[P2(IPr)2Br]2[SnBr6]*THF","","- C112 H152 Br8 N8 O P4 Sn -","- C112 H152 Br8 N8 O P4 Sn -","- C448 H608 Br32 N32 O4 P16 Sn4 -","4","1","","Waters, Jordan; Everitt, Thomas; Myers, William; Goicoechea, Jose M.","N-heterocyclic carbene induced reductive coupling of phosphorus tribromide. Isolation of a bromine bridged P‒P bond and its subsequent reactivity.","Chem. Sci.","2016","","","","","10.1039/C6SC02343F","","","1.54178","CuKα","","0.0303","0.0298","","","0.0838","0.0844","","","","","","1.045","","","","has coordinates","184564","2020-10-21","18:00:00",""
"1543710","12.6812","0.0002","17.073","0.0003","20.7995","0.0004","81.712","0.002","74.258","0.002","86.832","0.002","4288.43","0.14","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","[P2(IPr)2][BArF]","","- C86 H84 B F24 N4 P2 -","- C86 H84 B F24 N4 P2 -","- C172 H168 B2 F48 N8 P4 -","2","1","","Waters, Jordan; Everitt, Thomas; Myers, William; Goicoechea, Jose M.","N-heterocyclic carbene induced reductive coupling of phosphorus tribromide. Isolation of a bromine bridged P‒P bond and its subsequent reactivity.","Chem. Sci.","2016","","","","","10.1039/C6SC02343F","","","1.54178","CuKα","","0.0571","0.0507","","","0.1318","0.1378","","","","","","1.049","","","","has coordinates,has disorder","184564","2020-10-21","18:00:00",""
"1543711","29.394","0.001","5.619","0.0002","25.1528","0.001","90","","104.918","0.002","90","","4014.3","0.3","100","2","100.02","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C16 H21 Na O4.5 P S2 -","- C16 H21 Na O4.5 P S2 -","- C128 H168 Na8 O36 P8 S16 -","8","2","","McGuirk, C. Michael; Mendez-Arroyo, Jose; d'Aquino, Andrea I.; Stern, Charlotte L.; Liu, Yuan; Mirkin, Chad A.","A concerted two-prong approach to the in situ allosteric regulation of bifunctional catalysis","Chem. Sci.","2016","7","11","6674","","10.1039/C6SC01454B","","","1.54178","CuKα","","0.0581","0.0532","","","0.1414","0.1449","","","","","","1.08","","","","has coordinates,has disorder","188062","2020-10-21","18:00:00",""
"1543712","48.8875","0.0019","6.1721","0.0002","13.7803","0.0005","90","","103.831","0.003","90","","4037.5","0.3","100","2","100","","","","","","","","","7","C 1 2 1","C 2y","5","","","","- C89 H98 Cl2 N8 O8 P2 S2 -","- C89 H98 Cl2 N8 O8 P2 S2 -","- C178 H196 Cl4 N16 O16 P4 S4 -","2","0.5","","McGuirk, C. Michael; Mendez-Arroyo, Jose; d'Aquino, Andrea I.; Stern, Charlotte L.; Liu, Yuan; Mirkin, Chad A.","A concerted two-prong approach to the in situ allosteric regulation of bifunctional catalysis","Chem. Sci.","2016","7","11","6674","","10.1039/C6SC01454B","","","1.54178","CuKα","","0.0517","0.0488","","","0.1288","0.1311","","","","","","1.042","","","","has coordinates,has disorder","188062","2020-10-21","18:00:00",""
"1543713","18.1695","0.0007","9.2664","0.0004","22.3","0.0009","90","","101.881","0.003","90","","3674.1","0.3","100","2","99.99","","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C36 H37 B F4 O3 P2 Pt S3 -","- C36 H37 B F4 O3 P2 Pt S3 -","- C144 H148 B4 F16 O12 P8 Pt4 S12 -","4","1","","McGuirk, C. Michael; Mendez-Arroyo, Jose; d'Aquino, Andrea I.; Stern, Charlotte L.; Liu, Yuan; Mirkin, Chad A.","A concerted two-prong approach to the in situ allosteric regulation of bifunctional catalysis","Chem. Sci.","2016","7","11","6674","","10.1039/C6SC01454B","","","1.54178","CuKα","","0.0708","0.0445","","","0.0989","0.1116","","","","","","1.017","","","","has coordinates,has disorder","188062","2020-10-21","18:00:00",""
"1543714","12.3832","0.0006","12.7027","0.0006","13.6428","0.0006","79.884","0.003","76.218","0.003","63.75","0.003","1863.19","0.16","100","2","100.01","","","","","","","","","5","P -1","-P 1","2","","pyridinium BArF","","- C37 H18 B F24 N -","- C37 H18 B F24 N -","- C74 H36 B2 F48 N2 -","2","1","","McGuirk, C. Michael; Mendez-Arroyo, Jose; d'Aquino, Andrea I.; Stern, Charlotte L.; Liu, Yuan; Mirkin, Chad A.","A concerted two-prong approach to the in situ allosteric regulation of bifunctional catalysis","Chem. Sci.","2016","7","11","6674","","10.1039/C6SC01454B","","","0.71073","MoKα","","0.0877","0.0636","","","0.1666","0.183","","","","","","1.06","","","","has coordinates,has disorder","188062","2020-10-21","18:00:00",""
"1543721","10.936","0.0004","10.936","0.0004","25.7965","0.0006","90","","90","","120","","2671.83","0.15","103.1","","103.1","","","","","","","","","3","P 65","P 65","170","","","","- C19 H20 O9 -","- C19 H20 O9 -","- C114 H120 O54 -","6","1","","Lai, Daowan; Wang, Ali; Cao, Yuheng; Zhou, Kaiyi; Mao, Ziling; Dong, Xuejiao; Tian, Jin; Xu, Dan; Dai, Jungui; Peng, Yu; Zhou, Ligang; Liu, Yang","Bioactive Dibenzo-α-pyrone Derivatives from the Endophytic FungusRhizopycnis vagumNitaf22","Journal of Natural Products","2016","","","","","10.1021/acs.jnatprod.6b00327","","","1.5418","CuKα","","0.0283","0.0281","","","0.0731","0.0733","","","","","","1.025","","","","has coordinates","184588","2020-10-21","18:00:00",""
"1543722","12.6105","0.0009","14.074","0.001","17.2452","0.0012","90","","104.291","0.001","90","","2966","0.4","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C30 H38 N2 O6 S -","- C30 H38 N2 O6 S -","- C120 H152 N8 O24 S4 -","4","1","","Potter, Tyler J.; Ellman, Jonathan A.","Rh(III)-Catalyzed C-H Bond Addition/Amine-Mediated Cyclization of Bis-Michael Acceptors.","Organic letters","2016","18","15","3838","3841","10.1021/acs.orglett.6b01846","","","1.54178","CuKα","","0.0525","0.0444","","","0.14","0.1468","","","","","","1.095","","","","has coordinates,has disorder","187955","2020-10-21","18:00:00",""
"1543723","11.8036","0.0009","21.3495","0.0016","7.9601","0.0006","90","","90","","90","","2006","0.3","296","2","296","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C23 H24 Br N O -","- C23 H24 Br N O -","- C92 H96 Br4 N4 O4 -","4","1","","Li, Yang; Pan, Gao-Hui; Hu, Ming; Liu, Bang; Song, Ren-Jie; Li, Jin-Heng","Intermolecular Oxidative Decarbonylative [2+2+2] Carbocyclization of N-(2-Ethynylaryl)acrylamides with Tertiary Alkyl Aldehydes involving C(sp3)-H Functionalization","Chem. Sci.","2016","","","","","10.1039/C6SC02451C","","","0.71073","MoKα","","0.0496","0.0318","","","0.0656","0.0707","","","","","","1.004","","","","has coordinates","184594","2020-10-21","18:00:00",""
"1543724","8.984","0.005","10.648","0.006","18.894","0.01","90","","90","","90","","1807.4","1.7","298","2","298","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","N-(2,3,4-Tri-O-acetyl-6-deoxy-α-L-mannopyranos -1-yl) thiourea","","- C13 H20 N2 O7 S -","- C13 H20 N2 O7 S -","- C52 H80 N8 O28 S4 -","4","1","","Li, Xiang; Krafczyk, Ralph; Macosek, Jakub; Li, Yulei; Zou, Yan; Simon, Bernd; Pan, Xing; Wu, Qiuye; Yan, Fang; Hennig, Janosch; Jung, Kirsten; Lassak, Jürgen; Hu, Honggang","Resolving the α-Glycosidic Linkage of Arginine-Rhamnosylated Translation Elongation Factor P (EF-P) Triggers Generation of the First ArgRha Specific Antibody","Chem. Sci.","2016","","","","","10.1039/C6SC02889F","","","0.71073","MoKα","","0.0624","0.041","","","0.0809","0.086","","","","","","0.841","","","","has coordinates","184595","2020-10-21","18:00:00",""
"1543725","13.2223","0.0003","19.43","0.0004","13.7491","0.0003","90","","103.14","0.001","90","","3439.79","0.13","130","","130","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C33 H44 O9 -","- C33 H44 O9 -","- C132 H176 O36 -","4","2","","Zhou, Bin; Wu, Yan; Dalal, Seema; Cassera, Maria B.; Yue, Jian-Min","Euphorbesulins A-P, Structurally Diverse Diterpenoids from Euphorbia esula.","Journal of natural products","2016","79","8","1952","1961","10.1021/acs.jnatprod.6b00205","","","1.54178","CuKα","","0.0772","0.0747","","","0.1902","0.1939","","","","","","1.031","","","","has coordinates","186253","2020-10-21","18:00:00",""
"1543726","9.33","0.006","18.724","0.004","13.484","0.003","90","","102.898","0.008","90","","2296.2","1.6","300","2","300","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","Ethyl 2-[(azidocarbonyl)amino]benzoate","","- C10 H10 N4 O3 -","- C10 H10 N4 O3 -","- C80 H80 N32 O24 -","8","1","HB4066","Yassine, Hasna; Hafid, Abderrafia; Khouili, Mostafa; Mentre, Olivier; Ketatni, El Mostafa","Ethyl 2-[(azidocarbonyl)amino]benzoate","IUCrData","2016","1","7","x161155","","10.1107/S241431461601155X","","","0.71073","MoKα","","0.0975","0.0425","","","0.0873","0.0963","","","","","","1.61","","","","has coordinates,has Fobs","184627","2020-10-21","18:00:00",""
"1543727","10.113","0.008","13.278","0.01","12.224","0.01","90","","102.219","0.015","90","","1604","2","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","5-(2,4-Dichlorophenoxy)-3-methyl-1-phenyl-1<i>H</i>-pyrazole-4-carbaldehyde","","- C17 H12 Cl2 N2 O2 -","- C17 H12 Cl2 N2 O2 -","- C68 H48 Cl8 N8 O8 -","4","1","VM4011","Kumar, S. Madan; Manju, N.; Asma; Kalluraya, Balakrishna; Byrappa, K.; Warad, Ismail","5-(2,4-Dichlorophenoxy)-3-methyl-1-phenyl-1<i>H</i>-pyrazole-4-carbaldehyde","IUCrData","2016","1","7","x161111","","10.1107/S2414314616011111","","","0.71075","MoKα","","0.1142","0.0724","","","0.1496","0.182","","","","","","1.207","","","","has coordinates,has Fobs","184628","2020-10-21","18:00:00",""
"1543728","10.2857","0.0012","14.325","0.0017","17.794","0.002","71.528","0.001","79.919","0.001","72.784","0.001","2365.7","0.5","173","2","173.15","","","","","","","","","5","P -1","-P 1","2","","Diaquabis[<i>N</i>,<i>N</i>'-(ethane-1,2-diyl)bis(isonicotinamide)-κ<i>N</i>]bis(hydrogen phthalato-κ<i>O</i>)nickel(II) hexahydrate","","- C44 H54 N8 Ni O20 -","- C44 H54 N8 Ni O20 -","- C88 H108 N16 Ni2 O40 -","2","1","WM4020","Beard, Torél; LaDuca, Robert L.","Diaquabis[<i>N</i>,<i>N</i>'-(ethane-1,2-diyl)bis(isonicotinamide)-κ<i>N</i>]bis(hydrogen phthalato-κ<i>O</i>)nickel(II) hexahydrate","IUCrData","2016","1","7","x161167","","10.1107/S2414314616011676","","","0.71073","MoKα","","0.0571","0.0427","","","0.1042","0.1145","","","","","","1.045","","","","has coordinates,has Fobs","184629","2020-10-21","18:00:00",""
"1543729","8.4132","0.0014","8.487","0.0014","16.67","0.003","83.56","0.002","85.919","0.002","62.599","0.002","1049.8","0.3","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","(4<i>E</i>)-1-Decyl-4-(2-oxopropylidene)-2,3,4,5-tetrahydro-1<i>H</i>-1,5-benzodiazepin-2-one","","- C22 H32 N2 O2 -","- C22 H32 N2 O2 -","- C44 H64 N4 O4 -","2","1","BH4008","Sebhaoui, Jihad; Zang Ondo, Cherryl Mirabelle; El Bakri, Youness; Essassi, El Mokhtar; Mague, Joel T.","(4<i>E</i>)-1-Decyl-4-(2-oxopropylidene)-2,3,4,5-tetrahydro-1<i>H</i>-1,5-benzodiazepin-2-one","IUCrData","2016","1","7","x161174","","10.1107/S2414314616011743","","","0.71073","MoKα","","0.0717","0.0472","","","0.1194","0.1359","","","","","","1.04","","","","has coordinates,has Fobs","184630","2020-10-21","18:00:00",""
"1543730","10.144","0.002","16.276","0.003","10.491","0.002","90","","101.27","0.03","90","","1698.7","0.6","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","1,1-Difluoro-3-phenyl-9-(pyridin-2-yl)-1<i>H</i>-1λ^4^,11λ^4^-1,3,5,2-oxadiazaborinino[3,4-<i>a</i>][1,8]naphthyridine","","- C20 H13 B F2 N4 O -","- C20 H13 B F2 N4 O -","- C80 H52 B4 F8 N16 O4 -","4","1","","Wang, Bang Zhong; Zhou, Yong; Zhou, Jun Ping; Luo, Jian Song; Chi, Shao Ming","1,1-Difluoro-3-phenyl-9-(pyridin-2-yl)-1<i>H</i>-1λ^4^,11λ^4^-1,3,5,2-oxadiazaborinino[3,4-<i>a</i>][1,8]naphthyridine","IUCrData","2016","1","7","x161129","","10.1107/S2414314616011299","","","0.71073","MoKα","","0.1218","0.0691","","","0.2002","0.233","","","","","","1.05","","","","has coordinates,has Fobs","184631","2020-10-21","18:00:00",""
"1543734","14.0128","0.0017","8.8244","0.0011","16.431","0.002","90","","112.361","0.002","90","","1879","0.4","295","2","295","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H17 N O4 S2 -","- C20 H17 N O4 S2 -","- C80 H68 N4 O16 S8 -","4","1","","Yang, Daoshan; Sun, Mingyang; Wei, Wei; Li, Jin; Sun, Pengfei; Zhang, Qingyun; Tian, Laijin; Wang, Hua","Copper-catalyzed decarboxylative stereospecific amidation of cinnamic acids with N-fluorobenzenesulfonimide","RSC Advances","2016","6","76","72361","72365","10.1039/C6RA16115D","","","0.71073","MoKα","","0.0952","0.0621","","","0.1508","0.169","","","","","","1.046","","","","has coordinates","282777","2023-04-20","11:56:44",""
"1543735","10.5123","0.0015","6.9425","0.001","26.301","0.004","90","","98.712","0.003","90","","1897.3","0.5","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C26 H18 O2 -","- C26 H18 O2 -","- C104 H72 O8 -","4","1","","Zheng, Min; Wu, Feng; Chen, Kai; Zhu, Shifa","Styrene as 4π-Component in Zn(II)-Catalyzed Intermolecular Diels-Alder/Ene Tandem Reaction.","Organic letters","2016","18","15","3554","3557","10.1021/acs.orglett.6b01511","","","0.71073","MoKα","","0.069","0.044","","","0.1065","0.1179","","","","","","1.042","","","","has coordinates","187950","2020-10-21","18:00:00",""
"1543736","8.199","0.002","7.653","0.002","8.986","0.003","90","","104.005","0.003","90","","547.1","0.3","100","","100","","","","","","","","","3","P 1 21 1","P 2yb","4","","Hexacyclo[7.5.1.0^1,6^.0^6,13^.0^8,12^.0^10,14^]pentadecane-7,15-dione","","- C15 H16 O2 -","- C15 H16 O2 -","- C30 H32 O4 -","2","1","","Kotha, Sambasivarao; Bandi, Vijayalakshmi; Gunta, Rama; Gaddamedi, Sreevani","Hexacyclo[7.5.1.0^1,6^.0^6,13^.0^8,12^.0^10,14^]pentadecane-7,15-dione","IUCrData","2016","1","7","x161173","","10.1107/S2414314616011731","","","0.71075","MoKα","","","0.0419","","","","0.0856","","","","","","0.852","","","","has coordinates,has Fobs","184677","2020-10-21","18:00:00",""
"1543737","21.231","0.003","10.8714","0.0014","14.589","0.004","90","","128.524","0.003","90","","2634.4","0.9","303","2","303","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","1-(4-Fluorophenyl)-4,4,6-trimethyl-3,4-dihydropyrimidine-2(1<i>H</i>)-thione","","- C13 H15 F N2 S -","- C13 H15 F N2 S -","- C104 H120 F8 N16 S8 -","8","1","LH4008","Kadir, Aisyah; Abd Malek, Normyzatul Akmal; Mohd Zaki, Hamizah; Hasbullah, Siti Aishah; Yamin, Bohari M.","1-(4-Fluorophenyl)-4,4,6-trimethyl-3,4-dihydropyrimidine-2(1<i>H</i>)-thione","IUCrData","2016","1","7","x161189","","10.1107/S2414314616011895","","","0.71073","MoKα","","0.0497","0.039","","","0.0913","0.1017","","","","","","1.1","","","","has coordinates,has Fobs","184678","2020-10-21","18:00:00",""
"1543738","7.49","0.002","18.968","0.006","28.635","0.009","90","","90","","90","","4068","2","110.15","","110.15","","","","","","","","","3","P b c a","-P 2ac 2ab","61","5-Butyl-5-(2-methyl-1<i>H</i>-inden-1-yl)-5<i>H</i>-dibenzo[<i>b</i>,<i>d</i>]silole","8-Butyl-8-(2-methyl-1<i>H</i>-inden-1-yl)-8-silatricyclo[7.4.0.0^2,3^]trideca-1(13),2,4,6,9,11-hexaene","","- C26 H26 Si -","- C26 H26 Si -","- C208 H208 Si8 -","8","1","XU4011","Medvedev, Michael G.; Izmer, Vyatcheslav V.; Kononovich, Dmitry S.; Uborsky, Dmitry V.; Voskoboynikov, Alexander Z.","5-Butyl-5-(2-methyl-1<i>H</i>-inden-1-yl)-5<i>H</i>-dibenzo[<i>b</i>,<i>d</i>]silole","IUCrData","2016","1","7","x161151","","10.1107/S2414314616011512","","","0.71073","MoKα","","0.1154","0.0565","","","0.1305","0.1477","","","","","","0.855","","","","has coordinates,has Fobs","184679","2020-10-21","18:00:00",""
"1543739","12.4962","0.0012","12.8055","0.001","17.6834","0.0017","90","","92.82","0.003","90","","2826.3","0.4","293","2","293","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","2-(5-Bromo-1<i>H</i>-indol-3-yl)-4-(4-bromophenyl)-5-(4-chlorobenzoyl)-1<i>H</i>-pyrrole-3-carbonitrile dimethyl sulfoxide monosolvate","","- C28 H20 Br2 Cl N3 O2 S -","- C28 H20 Br2 Cl N3 O2 S -","- C112 H80 Br8 Cl4 N12 O8 S4 -","4","1","SU4063","AaminaNaaz, Y.; Kamalraja, Jayabal; Vimala, G.; Perumal, Paramasivam T.; SubbiahPandi, A.","2-(5-Bromo-1<i>H</i>-indol-3-yl)-4-(4-bromophenyl)-5-(4-chlorobenzoyl)-1<i>H</i>-pyrrole-3-carbonitrile dimethyl sulfoxide monosolvate","IUCrData","2016","1","7","x161197","","10.1107/S2414314616011974","","","0.71073","MoKα","","0.1261","0.0698","","","0.0953","0.1069","","","","","","1.148","","","","has coordinates,has Fobs","184680","2020-10-21","18:00:00",""
"1543740","4.9667","0.0006","23.701","0.003","7.1113","0.0008","90","","104.189","0.004","90","","811.57","0.17","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","<i>N</i>,<i>N</i>'-(Ethane-1,2-diyl)bis(2-chlorobenzamide)","","- C16 H14 Cl2 N2 O2 -","- C16 H14 Cl2 N2 O2 -","- C32 H28 Cl4 N4 O4 -","2","0.5","","Mohamooda Sumaya, U.; Reuben Jonathan, D.; Dravida Thendral, E. R. A.; Revathi, B. K.; Usha, G.","<i>N</i>,<i>N</i>'-(Ethane-1,2-diyl)bis(2-chlorobenzamide)","IUCrData","2016","1","7","x161190","","10.1107/S2414314616011901","","","0.71073","MoKα","","0.0735","0.0641","","","0.1512","0.1561","","","","","","1.168","","","","has coordinates,has Fobs","184681","2020-10-21","18:00:00",""
"1543741","9.4679","0.0001","11.3192","0.0002","16.4547","0.0003","90.276","0.001","105.53","0.001","90.509","0.001","1698.94","0.05","180","2","180","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H22 Cl N O2 -","- C18 H22 Cl N O2 -","- C72 H88 Cl4 N4 O8 -","4","2","","Poh, Jian-Siang; Lau, Shing-Hing; Dykes, Iain G.; Tran, Duc N.; Battilocchio, Claudio; Ley, Steven V.","A multicomponent approach for the preparation of homoallylic alcohols","Chem. Sci.","2016","7","11","6803","","10.1039/C6SC02581A","","","0.71073","MoKα","","0.0505","0.0386","","","0.0894","0.0962","","","","","","1.029","","","","has coordinates","188064","2020-10-21","18:00:00",""
"1543742","5.7221","0.0001","9.3754","0.0002","24.6691","0.0005","90","","90","","90","","1323.42","0.05","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C12 H16 N2 O4 S -","- C12 H16 N2 O4 S -","- C48 H64 N8 O16 S4 -","4","1","","Lu, Hongjian; lang, kai; Jiang, Huiling; Wojtas, Lukasz; Zhang, Peter","Intramolecular 1,5-C(sp3)-H Radical Amination via Co(II)-Based Metalloradical Catalysis for Five-Membered Cyclic Sulfamides","Chem. Sci.","2016","","","","","10.1039/C6SC02231F","","","1.54178","CuKα","","0.0272","0.026","","","0.0653","0.0659","","","","","","1.071","","","","has coordinates","184712","2020-10-21","18:00:00",""
"1543743","6.1655","0.0002","9.5773","0.0003","24.0447","0.0008","90","","90","","90","","1419.81","0.08","100","2","100.15","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C13 H18 N2 O4 S -","- C13 H18 N2 O4 S -","- C52 H72 N8 O16 S4 -","4","1","","Lu, Hongjian; lang, kai; Jiang, Huiling; Wojtas, Lukasz; Zhang, Peter","Intramolecular 1,5-C(sp3)-H Radical Amination via Co(II)-Based Metalloradical Catalysis for Five-Membered Cyclic Sulfamides","Chem. Sci.","2016","","","","","10.1039/C6SC02231F","","","1.54178","CuKα","","0.0332","0.0304","","","0.0712","0.0723","","","","","","1.031","","","","has coordinates","184712","2020-10-21","18:00:00",""
"1543744","6.0617","0.0002","7.1812","0.0002","35.5229","0.001","90","","90","","90","","1546.32","0.08","100","2","100","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C15 H17 N3 O4 S -","- C15 H17 N3 O4 S -","- C60 H68 N12 O16 S4 -","4","1","","Lu, Hongjian; lang, kai; Jiang, Huiling; Wojtas, Lukasz; Zhang, Peter","Intramolecular 1,5-C(sp3)-H Radical Amination via Co(II)-Based Metalloradical Catalysis for Five-Membered Cyclic Sulfamides","Chem. Sci.","2016","","","","","10.1039/C6SC02231F","","","1.54178","CuKα","","0.0349","0.0323","","","0.0833","0.0849","","","","","","1.026","","","","has coordinates","184712","2020-10-21","18:00:00",""
"1543745","10.1061","0.0003","18.1581","0.0005","20.5423","0.0006","90","","90.228","0.001","90","","3769.64","0.19","100","2","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H22 N2 O2 S -","- C22 H22 N2 O2 S -","- C176 H176 N16 O16 S8 -","8","2","","Lu, Hongjian; lang, kai; Jiang, Huiling; Wojtas, Lukasz; Zhang, Peter","Intramolecular 1,5-C(sp3)-H Radical Amination via Co(II)-Based Metalloradical Catalysis for Five-Membered Cyclic Sulfamides","Chem. Sci.","2016","","","","","10.1039/C6SC02231F","","","1.54178","CuKα","","0.0424","0.0345","","","0.0821","0.088","","","","","","1.058","","","","has coordinates","184712","2020-10-21","18:00:00",""
"1543749","12.1091","0.0005","8.3218","0.0004","12.7681","0.0006","90","","93.387","0.004","90","","1284.39","0.1","173","0.2","173","0.2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C29 H44 O3 -","- C29 H44 O3 -","- C58 H88 O6 -","2","1","","Liu, Chao; Ang, Song; Huang, Xiao-Jun; Tian, Hai-Yan; Deng, Yuan-Yuan; Zhang, Dong-Mei; Wang, Ying; Ye, Wen-Cai; Wang, Lei","Meroterpenoids with New Skeletons from Myrtus communis and Structure Revision of Myrtucommulone K.","Organic letters","2016","18","16","4004","4007","10.1021/acs.orglett.6b01817","","","1.54184","CuKα","","0.0341","0.0335","","","0.0913","0.0922","","","","","","1.053","","","","has coordinates","187961","2020-10-21","18:00:00",""
"1543750","10.7392","0.0003","9.6056","0.0004","12.9349","0.0004","90","","91.623","0.003","90","","1333.78","0.08","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C29 H44 O3 -","- C29 H44 O3 -","- C58 H88 O6 -","2","1","","Liu, Chao; Ang, Song; Huang, Xiao-Jun; Tian, Hai-Yan; Deng, Yuan-Yuan; Zhang, Dong-Mei; Wang, Ying; Ye, Wen-Cai; Wang, Lei","Meroterpenoids with New Skeletons from Myrtus communis and Structure Revision of Myrtucommulone K.","Organic letters","2016","18","16","4004","4007","10.1021/acs.orglett.6b01817","","","1.54184","CuKα","","0.0331","0.032","","","0.0824","0.0836","","","","","","1.057","","","","has coordinates","187961","2020-10-21","18:00:00",""
"1543751","8.35689","0.00013","16.2511","0.0002","19.1684","0.0003","90","","90","","90","","2603.23","0.07","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C29 H44 O3 -","- C29 H44 O3 -","- C116 H176 O12 -","4","1","","Liu, Chao; Ang, Song; Huang, Xiao-Jun; Tian, Hai-Yan; Deng, Yuan-Yuan; Zhang, Dong-Mei; Wang, Ying; Ye, Wen-Cai; Wang, Lei","Meroterpenoids with New Skeletons from Myrtus communis and Structure Revision of Myrtucommulone K.","Organic letters","2016","18","16","4004","4007","10.1021/acs.orglett.6b01817","","","1.54184","CuKα","","0.0289","0.0283","","","0.0707","0.0711","","","","","","1.053","","","","has coordinates","187961","2020-10-21","18:00:00",""
"1543752","7.5774","0.0015","13.244","0.003","13.488","0.003","90","","97.157","0.007","90","","1343","0.5","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","4-Chloro-1-[2-(2-chlorophenyl)ethyl]-2-nitrobenzene","","- C14 H11 Cl2 N O2 -","- C14 H11 Cl2 N O2 -","- C56 H44 Cl8 N4 O8 -","4","1","VM4012","Yeshwanthkumar, H. S.; Nagendra, P.; Siddaraju, B. P.; Chaluvaraju, K. C.; Byrappa, K.; Lokanath, N. K.; Madan Kumar, S.","4-Chloro-1-[2-(2-chlorophenyl)ethyl]-2-nitrobenzene","IUCrData","2016","1","7","x161204","","10.1107/S2414314616012049","","","0.71075","MoKα","","0.0972","0.0602","","","0.1266","0.1439","","","","","","1.04","","","","has coordinates,has Fobs","184737","2020-10-21","18:00:00",""
"1543753","9.6138","0.0002","8.8891","0.0002","11.7292","0.0003","90","","97.127","0.001","90","","994.61","0.04","150","2","150","2","","","","","","","","4","P 1 21 1","P 2yb","4","","(3<i>S</i>,4<i>S</i>)-4-Phenyl-1,5-bis(prop-2-en-1-yl)-3-(prop-2-en-1-yloxy)-2,3,4,5-tetrahydro-1<i>H</i>-1,5-benzodiazepin-2-one","","- C24 H26 N2 O2 -","- C24 H26 N2 O2 -","- C48 H52 N4 O4 -","2","1","XU4010","Rida, Mohammed; El Bakri, Youness; Sebbar, Nada Kheira; Essassi, El Mokhtar; Mague, Joel T.","(3<i>S</i>,4<i>S</i>)-4-Phenyl-1,5-bis(prop-2-en-1-yl)-3-(prop-2-en-1-yloxy)-2,3,4,5-tetrahydro-1<i>H</i>-1,5-benzodiazepin-2-one","IUCrData","2016","1","7","x161175","","10.1107/S2414314616011755","","","1.54178","CuKα","","0.0312","0.0296","","","0.0733","0.0749","","","","","","1.048","","","","has coordinates,has Fobs","184738","2020-10-21","18:00:00",""
"1543755","6.238","0.002","7.234","0.003","10.887","0.004","103.331","0.015","92.329","0.016","113.846","0.015","432.3","0.3","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","6-Methyl-7<i>H</i>-1,2,4-triazolo[4,3-<i>b</i>][1,2,4]triazepin-8(9<i>H</i>)-thione","","- C6 H7 N5 S -","- C6 H7 N5 S -","- C12 H14 N10 S2 -","2","1","TK4020","El Bakri, Youness; Harmaoui, Abdallah; Essassi, El Mokhtar; Saadi, Mohamed; El Ammari, Lahcen","6-Methyl-7H-1,2,4-triazolo[4,3-b][1,2,4]triazepin-8(9H)-thione","IUCrData","2016","1","8","","","10.1107/S2414314616012293","","","0.71073","MoKα","","0.0443","0.0394","","","0.1145","0.1194","","","","","","1.073","","","","has coordinates,has Fobs","184767","2020-10-21","18:00:00",""
"1543763","5.1865","0.0003","9.3623","0.0005","40.6608","0.0018","90","","90","","90","","1974.39","0.18","90","2","90","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C17 H29 Cl3 O3 -","- C17 H29 Cl3 O3 -","- C68 H116 Cl12 O12 -","4","1","","Saska, Jan; Lewis, William; Paton, Robert; Denton, Ross Matthew","Synthesis of Malhamensilipin A Exploiting Iterative Epoxidation/Chlorination: Experimental and Computational Analysis of Epoxide-Derived Chloronium Ions","Chem. Sci.","2016","","","","","10.1039/C6SC03012B","","","1.5418","CuKα","","0.0726","0.0638","","","0.1382","0.1414","","","","","","1.218","","","","has coordinates","184769","2020-10-21","18:00:00",""
"1543764","5.554","0.0006","8.7336","0.001","36.98","0.005","90","","90","","90","","1793.8","0.4","120","2","120","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C15 H28 Cl2 O4 -","- C15 H28 Cl2 O4 -","- C60 H112 Cl8 O16 -","4","1","","Saska, Jan; Lewis, William; Paton, Robert; Denton, Ross Matthew","Synthesis of Malhamensilipin A Exploiting Iterative Epoxidation/Chlorination: Experimental and Computational Analysis of Epoxide-Derived Chloronium Ions","Chem. Sci.","2016","","","","","10.1039/C6SC03012B","","x-ray","1.54184","CuKα","","0.1504","0.1349","","","0.3369","0.3452","","","","","","1.084","","","","has coordinates","184769","2020-10-21","18:00:00",""
"1543765","7.1149","0.0003","26.5631","0.0011","8.515","0.0004","90","","90.955","0.003","90","","1609.06","0.12","100","2","100","1","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C20 H21 N3 -","- C20 H21 N3 -","- C80 H84 N12 -","4","2","","Suh, Sung-Eun; Chenoweth, David M.","Aryne Compatible Solvents are not Always Innocent.","Organic letters","2016","18","16","4080","4083","10.1021/acs.orglett.6b01977","","","0.71073","MoKα","","0.0748","0.0632","","","0.1647","0.1719","","","","","","1.08","","","","has coordinates","187959","2020-10-21","18:00:00",""
"1543766","8.5618","0.001","8.6657","0.0009","22.783","0.003","90","","90","","90","","1690.4","0.3","100","1","100","1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C19 H20 Cl2 N2 -","- C19 H20 Cl2 N2 -","- C76 H80 Cl8 N8 -","4","1","","Suh, Sung-Eun; Chenoweth, David M.","Aryne Compatible Solvents are not Always Innocent.","Organic letters","2016","18","16","4080","4083","10.1021/acs.orglett.6b01977","","","0.71073","MoKα","","0.0769","0.0764","","","0.1911","0.1913","","","","","","1.237","","","","has coordinates,has disorder","187959","2020-10-21","18:00:00",""
"1543767","13.5638","0.0004","6.3615","0.0002","20.0924","0.0007","90","","101.767","0.003","90","","1697.26","0.1","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C21 H14 N2 O2 S -","- C21 H14 N2 O2 S -","- C84 H56 N8 O8 S4 -","4","1","","Kalogirou, Andreas S.; Kourtellaris, Andreas; Koutentis, Panayiotis A.","The Acid and/or Thermal Mediated Ring Contraction of 4H-1,2,6-Thiadiazines To Afford 1,2,5-Thiadiazoles.","Organic letters","2016","18","16","4056","4059","10.1021/acs.orglett.6b01929","","","1.54184","CuKα","","0.0418","0.0335","","","0.0863","0.0916","","","","","","1.048","","","","has coordinates","187960","2020-10-21","18:00:00",""
"1543768","7.9088","0.0002","13.4071","0.0004","9.205","0.0003","90","","93.738","0.003","90","","973.97","0.05","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C21 H12 N4 O6 S -","- C21 H12 N4 O6 S -","- C42 H24 N8 O12 S2 -","2","1","","Kalogirou, Andreas S.; Kourtellaris, Andreas; Koutentis, Panayiotis A.","The Acid and/or Thermal Mediated Ring Contraction of 4H-1,2,6-Thiadiazines To Afford 1,2,5-Thiadiazoles.","Organic letters","2016","18","16","4056","4059","10.1021/acs.orglett.6b01929","","","1.54184","CuKα","","0.0427","0.042","","","0.1065","0.1071","","","","","","1.025","","","","has coordinates","187960","2020-10-21","18:00:00",""
"1543769","7.5707","0.0004","6.8326","0.0003","37.456","0.003","90","","94.606","0.006","90","","1931.3","0.2","101.7","0.3","101.7","0.3","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H15 N3 O5 S -","- C22 H15 N3 O5 S -","- C88 H60 N12 O20 S4 -","4","1","","Kalogirou, Andreas S.; Kourtellaris, Andreas; Koutentis, Panayiotis A.","The Acid and/or Thermal Mediated Ring Contraction of 4H-1,2,6-Thiadiazines To Afford 1,2,5-Thiadiazoles.","Organic letters","2016","18","16","4056","4059","10.1021/acs.orglett.6b01929","","","0.71073","MoKα","","0.0459","0.0392","","","0.0994","0.1036","","","","","","1.051","","","","has coordinates","187960","2020-10-21","18:00:00",""
"1543773","11.0841","0.0002","20.46","0.0004","12.6447","0.0002","90","","90","","90","","2867.57","0.09","293","2","293","2","","","","","","","","3","C 2 2 21","C 2c 2","20","","","","- C15 H19 O5.5 -","- C15 H19 O5.5 -","- C120 H152 O44 -","8","1","","Zhou, Xue-Ming; Zheng, Cai-Juan; Gan, Li-She; Chen, Guang-Ying; Zhang, Xiao-Peng; Song, Xiao-Ping; Li, Gao-Nan; Sun, Chong-Ge","Bioactive Phenanthrene and Bibenzyl Derivatives from the Stems of Dendrobium nobile.","Journal of natural products","2016","79","7","1791","1797","10.1021/acs.jnatprod.6b00252","","","1.54184","CuKα","","0.0345","0.0336","","","0.0918","0.0926","","","","","","1.021","","","","has coordinates","194547","2020-10-21","18:00:00",""
"1543774","34.9876","0.0009","5.52913","0.00013","18.7802","0.0004","90","","96.1833","0.0014","90","","3611.91","0.15","93.1","","","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C40 H12 F20 O8 -","- C40 H12 F20 O8 -","- C160 H48 F80 O32 -","4","0.5","","Itoh, Takahito; Morita, Erica; Takakura, Ryohei; Nakajima, Hiroto; Uno, Takahiro; Kubo, Masataka; Tohnai, Norimitsu; Miyata, Mikiji","Formation of Bundle Assemblies of Stereoregular Polymers in Thermal Solid-State Polymerization of 7,7,8,8-Tetrakis(aryloxycarbonyl)-p-quinodimethanes","Macromolecules","2016","49","13","4802","","10.1021/acs.macromol.6b00349","","","1.54187","CuKα","","","0.0586","","","","0.1967","","","","","","0.976","","","","has coordinates","184847","2020-10-21","18:00:00",""
"1543775","12.8116","0.0003","7.9273","0.00017","16.8621","0.0004","90","","95.3096","0.0013","90","","1705.19","0.07","93.1","","","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C40 H22 F10 O8 -","- C40 H22 F10 O8 -","- C80 H44 F20 O16 -","2","1","","Itoh, Takahito; Morita, Erica; Takakura, Ryohei; Nakajima, Hiroto; Uno, Takahiro; Kubo, Masataka; Tohnai, Norimitsu; Miyata, Mikiji","Formation of Bundle Assemblies of Stereoregular Polymers in Thermal Solid-State Polymerization of 7,7,8,8-Tetrakis(aryloxycarbonyl)-p-quinodimethanes","Macromolecules","2016","49","13","4802","","10.1021/acs.macromol.6b00349","","","1.54187","CuKα","","","0.0931","","","","0.3054","","","","","","1.114","","","","has coordinates","184848","2020-10-21","18:00:00",""
"1543776","10.8775","0.0008","7.9949","0.0003","18.0881","0.0009","90","","92.459","0.004","90","","1571.57","0.15","204.2","","","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C20 H16 O4 -","- C20 H16 O4 -","- C80 H64 O16 -","4","1","","Itoh, Takahito; Morita, Erica; Takakura, Ryohei; Nakajima, Hiroto; Uno, Takahiro; Kubo, Masataka; Tohnai, Norimitsu; Miyata, Mikiji","Formation of Bundle Assemblies of Stereoregular Polymers in Thermal Solid-State Polymerization of 7,7,8,8-Tetrakis(aryloxycarbonyl)-p-quinodimethanes","Macromolecules","2016","49","13","4802","","10.1021/acs.macromol.6b00349","","","1.5418","CuKα","","","0.0557","","","","0.1506","","","","","","1.862","","","","has coordinates","184849","2020-10-21","18:00:00",""
"1543777","13.5461","0.0015","7.7453","0.0009","19.625","0.002","90","","101.486","0.004","90","","2017.8","0.4","295","2","295","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Bis(2-amino-6-methylpyridinium) 3-nitrobenzene-1,2-dicarboxylate","","- C20 H21 N5 O6 -","- C20 H21 N5 O6 -","- C80 H84 N20 O24 -","4","1","VM4013","Sivakumar, P.; Sudhahar, S.; Israel, S.; Chakkaravarthi, G.","Bis(2-amino-6-methylpyridinium) 3-nitrobenzene-1,2-dicarboxylate","IUCrData","2016","1","8","x161233","","10.1107/S2414314616012335","","","0.71073","MoKα","","0.0593","0.0416","","","0.1082","0.1225","","","","","","1.031","","","","has coordinates,has Fobs","184867","2020-10-21","18:00:00",""
"1543778","7.5436","0.0003","15.6498","0.0006","10.9701","0.0004","90","","108.334","0.001","90","","1229.34","0.08","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(7<i>R</i>)-6-Methyl-7,9-bis(prop-2-yn-1-yl)-7<i>H</i>,8<i>H</i>,9<i>H</i>-1,2,4-triazolo[4,3-<i>b</i>][1,2,4]triazepin-8-one","","- C12 H11 N5 O -","- C12 H11 N5 O -","- C48 H44 N20 O4 -","4","1","BH4010","El Bakri, Youness; Harmaoui, Abdallah; Sebhaoui, Jihad; Ramli, Youssef; Essassi, El Mokhtar; Mague, Joel T.","(7<i>R</i>)-6-Methyl-7,9-bis(prop-2-yn-1-yl)-7<i>H</i>,8<i>H</i>,9<i>H</i>-1,2,4-triazolo[4,3-<i>b</i>][1,2,4]triazepin-8-one","IUCrData","2016","1","8","x161245","","10.1107/S2414314616012451","","","0.71073","MoKα","","0.056","0.0466","","","0.1343","0.1427","","","","","","1.053","","","","has coordinates,has disorder,has Fobs","184868","2020-10-21","18:00:00",""
"1543779","9.9165","0.0014","12.3529","0.0018","13.2009","0.0019","106.393","0.004","94.388","0.004","95.96","0.004","1533.4","0.4","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C15 H16 N2 O4 S -","- C15 H16 N2 O4 S -","- C60 H64 N8 O16 S4 -","4","2","","Seitz, Tobias; Fu, Peng; Haut, Franz-Lucas; Adam, Lutz; Habicht, Marija; Lentz, Dieter; MacMillan, John B.; Christmann, Mathias","One-Pot Synthesis of 5-Hydroxy-4H-1,3-thiazin-4-ones: Structure Revision, Synthesis, and NMR Shift Dependence of Thiasporine A.","Organic letters","2016","18","13","3070","3073","10.1021/acs.orglett.6b01166","","","1.54178","CuKα","","0.0441","0.0429","","","0.1205","0.1209","","","","","","1.229","","","","has coordinates","184869","2020-10-21","18:00:00",""
"1543780","12.441","0.004","8.216","0.002","26.04","0.007","90","","93.756","0.009","90","","2656","1.3","298","2","298","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","2-(4-methoxy-2,3-dimethylphenyl)-1H-benzo[d]imidazole, Water","","- C16 H17 N2 O1.5 -","- C16 H17 N2 O1.5 -","- C128 H136 N16 O12 -","8","1","","Hati, Santanu; Kumar Dutta, Pratip; Dutta, Sanjay; Munshi, Parthapratim; Sen, Subhabrata","Accessing Benzimidazoles via a Ring Distortion Strategy: An Oxone Mediated Tandem Reaction of 2-Aminobenzylamines.","Organic letters","2016","18","13","3090","3093","10.1021/acs.orglett.6b01217","","","0.71073","MoKα","","0.106","0.0576","","","0.1189","0.1357","","","","","","1.081","","","","has coordinates","194547","2020-10-21","18:00:00",""
"1543781","32.758","0.003","9.5956","0.0008","14.9338","0.0011","90","","116.53","0.002","90","","4199.9","0.6","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C23 H19 Cl2 N O3 -","- C23 H19 Cl2 N O3 -","- C184 H152 Cl16 N8 O24 -","8","1","","Zhang, Tian-Shu; Hao, Wen-Juan; Wang, Nan-Nan; Li, Guigen; Jiang, Dong-Fang; Tu, Shu-Jiang; Jiang, Bo","Catalytic Oxidative Carbene Coupling of α-Diazo Carbonyls for the Synthesis of β-Amino Ketones via C(sp(3))-H Functionalization.","Organic letters","2016","18","13","3078","3081","10.1021/acs.orglett.6b01189","","","0.71073","MoKα","","0.1231","0.0492","","","0.0875","0.1053","","","","","","1.019","","","","has coordinates","184871","2020-10-21","18:00:00",""
"1543782","17.951","0.004","14.649","0.004","22.079","0.005","90","","113.927","0.002","90","","5307","2","100","","100","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C20 H40 Cl N5 Ni O2 P2 -","- C20 H40 Cl N5 Ni O2 P2 -","- C160 H320 Cl8 N40 Ni8 O16 P16 -","8","2","","Mastalir, Matthias; Stöger, Berthold; Pittenauer, Ernst; Allmaier, Günter; Kirchner, Karl","Air-Stable Triazine-Based Ni(II) PNP Pincer Complexes As Catalysts for the Suzuki-Miyaura Cross-Coupling.","Organic letters","2016","18","13","3186","3189","10.1021/acs.orglett.6b01398","","x-ray","0.71073","MoKα","","0.0775","0.0556","","","0.0662","0.068","","","","2","2","1.81","","","","has coordinates","184872","2020-10-21","18:00:00",""
"1543783","18.1927","0.0018","14.0509","0.0014","21.446","0.002","90","","90","","90","","5482.1","0.9","100","","100","","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C17 H36 Cl2 N6 Ni P2 -","- C17 H36 Cl2 N6 Ni P2 -","- C136 H288 Cl16 N48 Ni8 P16 -","8","1","","Mastalir, Matthias; Stöger, Berthold; Pittenauer, Ernst; Allmaier, Günter; Kirchner, Karl","Air-Stable Triazine-Based Ni(II) PNP Pincer Complexes As Catalysts for the Suzuki-Miyaura Cross-Coupling.","Organic letters","2016","18","13","3186","3189","10.1021/acs.orglett.6b01398","","x-ray","0.71073","MoKα","","0.08","0.0533","","","0.0505","0.0536","","","","2.42","2.42","2.13","","","","has coordinates","184872","2020-10-21","18:00:00",""
"1543784","9.2794","0.0003","11.1179","0.0004","12.038","0.0004","84.916","0.003","69.397","0.003","79.875","0.003","1143.91","0.07","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C20 H14 F6 N2 O4 S2 -","- C20 H14 F6 N2 O4 S2 -","- C40 H28 F12 N4 O8 S4 -","2","1","","Qiu, Dachuan; He, Jia; Yue, Xiao; Shi, Jiarong; Li, Yang","Diamination of Domino Aryne Precursor with Sulfonamides.","Organic letters","2016","18","13","3130","3133","10.1021/acs.orglett.6b01334","","","0.71073","MoKα","","0.0602","0.0487","","","0.1208","0.1309","","","","","","1.054","","","","has coordinates","184873","2020-10-21","18:00:00",""
"1543785","11.0215","0.0005","13.1109","0.0006","15.1972","0.0007","90","","111.193","0.002","90","","2047.5","0.16","101","2","100.99","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C50 H22 O2 -","- C50 H22 O2 -","- C100 H44 O4 -","2","0.5","","Kumarasinghe, K G Upul R; Fronczek, Frank R.; Valle, Henry U.; Sygula, Andrzej","Bis-corannulenoanthracene: An Angularly Fused Pentacene as a Precursor for Barrelene-Tethered Receptors for Fullerenes.","Organic letters","2016","18","13","3054","3057","10.1021/acs.orglett.6b01049","","","1.54178","CuKα","","0.1157","0.1111","","","0.2901","0.2936","","","","","","1.054","","","","has coordinates","184874","2020-10-21","18:00:00",""
"1543786","10.889","0.0004","13.3104","0.0006","13.9583","0.0006","90","","106.526","0.002","90","","1939.5","0.14","90","0.5","90","0.5","","","","","","","","3","P 1 21/m 1","-P 2yb","11","","","","- C61 H32 O3 -","- C61 H32 O3 -","- C122 H64 O6 -","2","0.5","","Kumarasinghe, K G Upul R; Fronczek, Frank R.; Valle, Henry U.; Sygula, Andrzej","Bis-corannulenoanthracene: An Angularly Fused Pentacene as a Precursor for Barrelene-Tethered Receptors for Fullerenes.","Organic letters","2016","18","13","3054","3057","10.1021/acs.orglett.6b01049","","","1.54184","CuKα","","0.0509","0.046","","","0.1381","0.1445","","","","","","1.043","","","","has coordinates,has disorder","184875","2020-10-21","18:00:00",""
"1543787","19.7969","0.0005","12.4055","0.0003","14.0366","0.0003","90","","122.117","0.001","90","","2919.7","0.12","100","2","100","2","","","","","","","","7","C 1 2 1","C 2y","5","","","","- C26.25 H28.5 Cl0.5 F7 N3 O S -","- C26.25 H28.5 Cl0.5 F7 N3 O S -","- C105 H114 Cl2 F28 N12 O4 S4 -","4","1","","Lehnherr, Dan; Ford, David D.; Bendelsmith, Andrew J.; Kennedy, C. Rose; Jacobsen, Eric N.","Conformational Control of Chiral Amido-Thiourea Catalysts Enables Improved Activity and Enantioselectivity.","Organic letters","2016","18","13","3214","3217","10.1021/acs.orglett.6b01435","","","1.54178","CuKα","","0.0617","0.0588","","","0.1695","0.1736","","","","","","1.081","","","","has coordinates,has disorder","184876","2020-10-21","18:00:00",""
"1543788","6.3738","0.0004","10.3067","0.0007","22.7482","0.0015","90","","90","","90","","1494.39","0.17","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C16 H22 F N O2 -","- C16 H22 F N O2 -","- C64 H88 F4 N4 O8 -","4","1","","Lehnherr, Dan; Ford, David D.; Bendelsmith, Andrew J.; Kennedy, C. Rose; Jacobsen, Eric N.","Conformational Control of Chiral Amido-Thiourea Catalysts Enables Improved Activity and Enantioselectivity.","Organic letters","2016","18","13","3214","3217","10.1021/acs.orglett.6b01435","","","1.54178","CuKα","","0.0256","0.0254","","","0.0731","0.0732","","","","","","1.136","","","","has coordinates","184876","2020-10-21","18:00:00",""
"1543789","19.631","0.0019","12.4696","0.0012","14.2862","0.0014","90","","122.586","0.0014","90","","2946.6","0.5","100","2","100","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C29 H36 F6 N3 O S -","- C29 H36 F6 N3 O S -","- C116 H144 F24 N12 O4 S4 -","4","1","","Lehnherr, Dan; Ford, David D.; Bendelsmith, Andrew J.; Kennedy, C. Rose; Jacobsen, Eric N.","Conformational Control of Chiral Amido-Thiourea Catalysts Enables Improved Activity and Enantioselectivity.","Organic letters","2016","18","13","3214","3217","10.1021/acs.orglett.6b01435","","","0.71073","MoKα","","0.0535","0.0477","","","0.1281","0.1333","","","","","","1.04","","","","has coordinates,has disorder","184876","2020-10-21","18:00:00",""
"1543790","14.092","0.002","18.525","0.003","46.955","0.007","90","","90","","90","","12258","3","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C56.5 H68.5 Cl2.5 F14 N7 O4 -","- C56.5 H68.5 Cl2.5 F14 N7 O4 -","- C452 H548 Cl20 F112 N56 O32 -","8","2","","Lehnherr, Dan; Ford, David D.; Bendelsmith, Andrew J.; Kennedy, C. Rose; Jacobsen, Eric N.","Conformational Control of Chiral Amido-Thiourea Catalysts Enables Improved Activity and Enantioselectivity.","Organic letters","2016","18","13","3214","3217","10.1021/acs.orglett.6b01435","","","1.54178","CuKα","","0.0461","0.042","","","0.1121","0.1157","","","","","","1.027","","","","has coordinates,has disorder","217633","2020-10-21","18:00:00",""
"1543791","9.7657","0.0013","12.7259","0.0016","26.975","0.003","86.183","0.007","83.556","0.007","70.327","0.007","3135.3","0.7","100","2","100","2","","","","","","","","7","P 1","P 1","1","","","","- C56 H68 Cl F14 N7 O2 S2 -","- C56.0005 H68 Cl F14.0015 N7 O2 S2 -","- C112.001 H136 Cl2 F28.003 N14 O4 S4 -","2","2","","Lehnherr, Dan; Ford, David D.; Bendelsmith, Andrew J.; Kennedy, C. Rose; Jacobsen, Eric N.","Conformational Control of Chiral Amido-Thiourea Catalysts Enables Improved Activity and Enantioselectivity.","Organic letters","2016","18","13","3214","3217","10.1021/acs.orglett.6b01435","","","0.71073","MoKα","","0.0861","0.069","","","0.1756","0.1886","","","","","","1.036","","","","has coordinates,has disorder","184876","2020-10-21","18:00:00",""
"1543792","9.2304","0.0008","13.9651","0.0013","28.899","0.002","90","","90","","90","","3725.2","0.5","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C31 H41 Cl4 F7 N4 O2 -","- C31 H41 Cl4 F7 N4 O2 -","- C124 H164 Cl16 F28 N16 O8 -","4","1","","Lehnherr, Dan; Ford, David D.; Bendelsmith, Andrew J.; Kennedy, C. Rose; Jacobsen, Eric N.","Conformational Control of Chiral Amido-Thiourea Catalysts Enables Improved Activity and Enantioselectivity.","Organic letters","2016","18","13","3214","3217","10.1021/acs.orglett.6b01435","","","1.54178","CuKα","","0.0489","0.0408","","","0.096","0.1003","","","","","","1.032","","","","has coordinates,has disorder","184876","2020-10-21","18:00:00",""
"1543793","15.14","0.0004","7.9011","0.0002","14.1502","0.0004","90","","91.3074","0.0012","90","","1692.24","0.08","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C20 H14 N2 O S Se -","- C20 H14 N2 O S Se -","- C80 H56 N8 O4 S4 Se4 -","4","1","","Mandal, Anup; Sahoo, Harekrishna; Baidya, Mahiuddin","Copper-Catalyzed 8-Aminoquinoline-Directed Selenylation of Arene and Heteroarene C-H Bonds.","Organic letters","2016","18","13","3202","3205","10.1021/acs.orglett.6b01420","","","0.71073","MoKα","","0.0345","0.0252","","","0.0566","0.0597","","","","","","1.025","","","","has coordinates","184877","2020-10-21","18:00:00",""
"1543794","7.5562","0.0003","13.4128","0.0007","14.1944","0.0007","64.824","0.0016","85.1858","0.0016","88.7061","0.0017","1297.21","0.11","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C27 H19 Cl2 N3 O2 Se2 -","- C27 H19 Cl2 N3 O2 Se2 -","- C54 H38 Cl4 N6 O4 Se4 -","2","1","","Mandal, Anup; Sahoo, Harekrishna; Baidya, Mahiuddin","Copper-Catalyzed 8-Aminoquinoline-Directed Selenylation of Arene and Heteroarene C-H Bonds.","Organic letters","2016","18","13","3202","3205","10.1021/acs.orglett.6b01420","","","0.71073","MoKα","","0.0511","0.0355","","","0.0906","0.0988","","","","","","1.032","","","","has coordinates","184878","2020-10-21","18:00:00",""
"1543795","14.7324","0.0005","8.1294","0.0002","15.0674","0.0005","90","","91.7272","0.0015","90","","1803.74","0.1","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C20 H14 N2 O3 S Se -","- C20 H14 N2 O3 S Se -","- C80 H56 N8 O12 S4 Se4 -","4","1","","Mandal, Anup; Sahoo, Harekrishna; Baidya, Mahiuddin","Copper-Catalyzed 8-Aminoquinoline-Directed Selenylation of Arene and Heteroarene C-H Bonds.","Organic letters","2016","18","13","3202","3205","10.1021/acs.orglett.6b01420","","","0.71073","MoKα","","0.0356","0.0263","","","0.0587","0.0624","","","","","","1.031","","","","has coordinates","184879","2020-10-21","18:00:00",""
"1543796","6.431","0.001","8.943","0.001","18.239","0.002","90","","90","","90","","1049","0.2","198","2","198","2","","","","","","","synthesis","3","P 21 21 21","P 2ac 2ab","19","","","","- C12 H18 O2 -","- C12 H18 O2 -","- C48 H72 O8 -","4","1","","Barthel, André; Kaden, Felix; Jäger, Anne; Metz, Peter","Enantioselective Synthesis of Guaianolides in the Osmitopsin Family by Domino Metathesis.","Organic letters","2016","18","13","3298","3301","10.1021/acs.orglett.6b01619","","x-ray","0.71073","MoKα","","0.0534","0.0394","","","0.0909","0.0981","","","","","","1.029","","","","has coordinates","184880","2020-10-21","18:00:00",""
"1543797","6.223","0.001","7.076","0.001","28.09","0.005","90","","90","","90","","1236.9","0.3","198","2","198","2","","","","","","","synthesis","3","P 21 21 21","P 2ac 2ab","19","","","","- C14 H20 O3 -","- C14 H20 O3 -","- C56 H80 O12 -","4","1","","Barthel, André; Kaden, Felix; Jäger, Anne; Metz, Peter","Enantioselective Synthesis of Guaianolides in the Osmitopsin Family by Domino Metathesis.","Organic letters","2016","18","13","3298","3301","10.1021/acs.orglett.6b01619","","x-ray","0.71073","MoKα","","0.0543","0.0419","","","0.089","0.0943","","","","","","1.059","","","","has coordinates","184881","2020-10-21","18:00:00",""
"1543798","10.523","0.001","9.378","0.001","12.89","0.001","90","","91.59","0.01","90","","1271.6","0.2","198","2","198","2","","","","","","","synthesis","3","P 1 21 1","P 2yb","4","","","","- C14 H20 O3 -","- C14 H20 O3 -","- C56 H80 O12 -","4","2","","Barthel, André; Kaden, Felix; Jäger, Anne; Metz, Peter","Enantioselective Synthesis of Guaianolides in the Osmitopsin Family by Domino Metathesis.","Organic letters","2016","18","13","3298","3301","10.1021/acs.orglett.6b01619","","x-ray","0.71073","MoKα","","0.0934","0.0549","","","0.0933","0.1044","","","","","","1.226","","","","has coordinates","184882","2020-10-21","18:00:00",""
"1543799","21.15","0.01","4.978","0.003","24.55","0.011","90","","104.86","0.03","90","","2498","2","296","2","296","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C26 H28 N4 O6 -","- C26 H28 N4 O6 -","- C104 H112 N16 O24 -","4","1","","Kashinath, K.; Jachak, Gorakhnath R.; Athawale, Paresh R.; Marelli, Udaya Kiran; Gonnade, Rajesh G.; Reddy, D. Srinivasa","Total Synthesis of the Marine Natural Product Solomonamide B Necessitates Stereochemical Revision.","Organic letters","2016","18","13","3178","3181","10.1021/acs.orglett.6b01395","","","0.71073","MoKα","","0.1345","0.0834","","","0.1716","0.1956","","","","","","1.07","","","","has coordinates,has disorder","184883","2020-10-21","18:00:00",""
"1543800","28.205","0.007","5.7857","0.0014","17.974","0.004","90","","91.077","0.004","90","","2932.6","1.2","150","2","150","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C30 H38 N4 O7 -","- C30 H38 N4 O7 -","- C120 H152 N16 O28 -","4","1","","Kashinath, K.; Jachak, Gorakhnath R.; Athawale, Paresh R.; Marelli, Udaya Kiran; Gonnade, Rajesh G.; Reddy, D. Srinivasa","Total Synthesis of the Marine Natural Product Solomonamide B Necessitates Stereochemical Revision.","Organic letters","2016","18","13","3178","3181","10.1021/acs.orglett.6b01395","","","0.71073","MoKα","","0.1443","0.0817","","","0.1554","0.1807","","","","","","0.958","","","","has coordinates","184885","2020-10-21","18:00:00",""
"1543801","9.0001","0.0005","9.6916","0.0008","13.9766","0.0005","90.203","0.005","105.459","0.004","116.432","0.007","1041.58","0.13","100","0.1","100","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C24 H21 Br N2 O2 S -","- C24 H21 Br N2 O2 S -","- C48 H42 Br2 N4 O4 S2 -","2","1","","Shu, Chao; Wang, Yong-Heng; Shen, Cang-Hai; Ruan, Peng-Peng; Lu, Xin; Ye, Long-Wu","Gold-Catalyzed Intermolecular Ynamide Amination-Initiated Aza-Nazarov Cyclization: Access to Functionalized 2-Aminopyrroles.","Organic letters","2016","18","13","3254","3257","10.1021/acs.orglett.6b01503","","x-ray","1.54184","CuKα","","0.0346","0.0337","","","0.1114","0.1135","","","","","","1.004","","","","has coordinates","184886","2020-10-21","18:00:00",""
"1543802","14.5589","0.0005","5.345","0.0002","18.6931","0.0008","90","","98.725","0.004","90","","1437.81","0.1","123","2","123","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H13 Br O6 -","- C15 H13 Br O6 -","- C60 H52 Br4 O24 -","4","1","","Alamillo-Ferrer, Carla; Karabourniotis-Sotti, Marianna; Kennedy, Alan R.; Campbell, Matthew; Tomkinson, Nicholas C. O.","Alkene Dioxygenation with Malonoyl Peroxides: Synthesis of γ-Lactones, Isobenzofuranones, and Tetrahydrofurans.","Organic letters","2016","18","13","3102","3105","10.1021/acs.orglett.6b01253","","","0.71073","MoKα","","0.0466","0.0336","","","0.0684","0.0736","","","","","","1.058","","","","has coordinates","184887","2020-10-21","18:00:00",""
"1543803","7.9639","0.0007","8.2187","0.0007","9.601","0.0007","92.174","0.007","109.731","0.007","92.209","0.007","590.21","0.09","123","2","123","2","","","","","","","","3","P -1","-P 1","2","","","","- C14 H12 O6 -","- C14 H12 O6 -","- C28 H24 O12 -","2","1","","Alamillo-Ferrer, Carla; Karabourniotis-Sotti, Marianna; Kennedy, Alan R.; Campbell, Matthew; Tomkinson, Nicholas C. O.","Alkene Dioxygenation with Malonoyl Peroxides: Synthesis of γ-Lactones, Isobenzofuranones, and Tetrahydrofurans.","Organic letters","2016","18","13","3102","3105","10.1021/acs.orglett.6b01253","","","0.71073","MoKα","","0.0475","0.0375","","","0.0851","0.0923","","","","","","1.029","","","","has coordinates","184887","2020-10-21","18:00:00",""
"1543804","10.6142","0.0006","6.9676","0.0003","21.0046","0.0011","90","","97.064","0.005","90","","1541.61","0.14","123","2","123","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C17 H20 O5 -","- C17 H20 O5 -","- C68 H80 O20 -","4","1","","Alamillo-Ferrer, Carla; Karabourniotis-Sotti, Marianna; Kennedy, Alan R.; Campbell, Matthew; Tomkinson, Nicholas C. O.","Alkene Dioxygenation with Malonoyl Peroxides: Synthesis of γ-Lactones, Isobenzofuranones, and Tetrahydrofurans.","Organic letters","2016","18","13","3102","3105","10.1021/acs.orglett.6b01253","","","0.71073","MoKα","","0.0691","0.0435","","","0.088","0.099","","","","","","1.024","","","","has coordinates","184887","2020-10-21","18:00:00",""
"1543805","18.3425","0.0003","10.4967","0.0002","52.3489","0.0011","90","","90","","90","","10079","0.3","298","2","298","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C30 H23 N O4 S -","- C30 H23 N O4 S -","- C480 H368 N16 O64 S16 -","16","4","","Prabagar, B.; Nayak, Sanatan; Prasad, Rangu; Sahoo, Akhila K.","Dimethyl Sulfoxide and N-Iodosuccinimide Promoted 5-exo-dig Oxidative Cyclization of Yne-Tethered Ynamide: Access to Pyrrolidones and Spiro-pyrrolidones.","Organic letters","2016","18","13","3066","3069","10.1021/acs.orglett.6b01149","","","1.54184","CuKα","","0.0713","0.0578","","","0.1295","0.1383","","","","","","1.071","","","","has coordinates","184888","2020-10-21","18:00:00",""
"1543806","11.9577","0.0013","33.256","0.003","8.9182","0.0007","90","","90","","90","","3546.5","0.6","293","2","293","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C23 H17 N O2 -","- C23 H17 N O2 -","- C184 H136 N8 O16 -","8","2","","Prabagar, B.; Nayak, Sanatan; Prasad, Rangu; Sahoo, Akhila K.","Dimethyl Sulfoxide and N-Iodosuccinimide Promoted 5-exo-dig Oxidative Cyclization of Yne-Tethered Ynamide: Access to Pyrrolidones and Spiro-pyrrolidones.","Organic letters","2016","18","13","3066","3069","10.1021/acs.orglett.6b01149","","","0.71073","MoKα","","0.209","0.0908","","","0.1106","0.1372","","","","","","1.046","","","","has coordinates","184889","2020-10-21","18:00:00",""
"1543807","11.911","0.004","5.8447","0.0013","12.531","0.003","90","","103.47","0.02","90","","848.4","0.4","120","2","120","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C21 H19 Br O2 -","- C21 H19 Br O2 -","- C42 H38 Br2 O4 -","2","1","","Ahlin, Joachim S. E.; Cramer, Nicolai","Chiral N-Heterocyclic Carbene Ligand Enabled Nickel(0)-Catalyzed Enantioselective Three-Component Couplings as Direct Access to Silylated Indanols.","Organic letters","2016","18","13","3242","3245","10.1021/acs.orglett.6b01492","","","0.71073","MoKα","","0.0636","0.0482","","","0.1108","0.123","","","","","","1.063","","","","has coordinates","184890","2020-10-21","18:00:00",""
"1543808","7.9118","0.0006","11.5272","0.001","11.8921","0.001","68.353","0.008","88.982","0.007","82.872","0.007","999.83","0.15","293","2","293.15","","","","","","","","","5","P -1","-P 1","2","","","","- C18 H15 Cl4 N O3 -","- C18 H15 Cl4 N O3 -","- C36 H30 Cl8 N2 O6 -","2","1","","Bai, Peng; Huang, Xing-Fen; Xu, Guo-Dong; Huang, Zhi-Zhen","Cascade C-H Functionalization/Amidation Reaction for Synthesis of Azepinone Derivatives.","Organic letters","2016","18","13","3058","3061","10.1021/acs.orglett.6b01140","","","0.71073","MoKα","","0.0803","0.0517","","","0.1267","0.1494","","","","","","1.024","","","","has coordinates,has disorder","184891","2020-10-21","18:00:00",""
"1543809","4.4192","0.0003","33.029","0.002","27.3541","0.0019","90","","90","","90","","3992.7","0.5","293","","293","","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C40 H42 O2 S8 -","- C40 H42 O2 S8 -","- C160 H168 O8 S32 -","4","0.5","","Khadem, Mohammadreza; Walsh, Joshua C.; Bodwell, Graham J.; Zhao, Yuming","A Macrocyclization of 1,8-Bis(dithiafulvenyl)pyrenes.","Organic letters","2016","18","10","2403","2406","10.1021/acs.orglett.6b00894","","","0.71075","MoKα","","0.199","0.0915","","","0.2437","0.3251","","","","","","1.012","","","","has coordinates","184892","2020-10-21","18:00:00",""
"1543810","17.8024","0.0009","7.7552","0.0004","17.7401","0.0012","90","","90","","90","","2449.2","0.2","293","2","293","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C16 H11 N O2 -","- C16 H11 N O2 -","- C128 H88 N8 O16 -","8","2","","Chen, Xiaopei; Cui, Xiuling; Wu, Yangjie","""One-Pot"" Approach to 8-Acylated 2-Quinolinones via Palladium-Catalyzed Regioselective Acylation of Quinoline N-Oxides.","Organic letters","2016","18","10","2411","2414","10.1021/acs.orglett.6b00923","","x-ray","0.71073","MoKα","","0.0969","0.0506","","","0.0903","0.1113","","","","","","1.023","","","","has coordinates","184893","2020-10-21","18:00:00",""
"1543811","7.0519","0.0003","23.5069","0.0009","7.5339","0.0003","90","","90","","90","","1248.88","0.09","291","2","291.15","","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C16 H11 N O2 -","- C16 H11 N O2 -","- C64 H44 N4 O8 -","4","1","","Chen, Xiaopei; Cui, Xiuling; Wu, Yangjie","""One-Pot"" Approach to 8-Acylated 2-Quinolinones via Palladium-Catalyzed Regioselective Acylation of Quinoline N-Oxides.","Organic letters","2016","18","10","2411","2414","10.1021/acs.orglett.6b00923","","x-ray","1.54184","CuKα","","0.0467","0.0391","","","0.0961","0.1018","","","","","","1.039","","","","has coordinates","184894","2020-10-21","18:00:00",""
"1543812","10.2608","0.0005","16.6441","0.0009","15.6634","0.0008","90","","92.089","0.004","90","","2673.2","0.2","293","2","293","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C28 H23 Cl3 N O P Pd -","- C28 H23 Cl3 N O P Pd -","- C112 H92 Cl12 N4 O4 P4 Pd4 -","4","1","","Chen, Xiaopei; Cui, Xiuling; Wu, Yangjie","""One-Pot"" Approach to 8-Acylated 2-Quinolinones via Palladium-Catalyzed Regioselective Acylation of Quinoline N-Oxides.","Organic letters","2016","18","10","2411","2414","10.1021/acs.orglett.6b00923","","","0.71073","MoKα","","0.039","0.0292","","","0.0636","0.067","","","","","","1.029","","","","has coordinates","184895","2020-10-21","18:00:00",""
"1543813","10.116","0.002","10.554","0.002","11.501","0.002","105.31","0.03","93.11","0.03","96.37","0.03","1172.5","0.4","113","2","113","2","","","","","","","","3","P -1","-P 1","2","","","","- C31 H29 N2 -","- C31 H29 N2 -","- C62 H58 N4 -","2","1","","Wang, Hongkai; Wang, Chan; Huang, Kaimeng; Liu, Lingyan; Chang, Weixing; Li, Jing","Copper-Catalyzed Cascade Reaction via Intramolecular Hydroamination Cyclization of Homopropargylic Amines and Intermolecular Povarov Reaction with Imines.","Organic letters","2016","18","10","2367","2370","10.1021/acs.orglett.6b00804","","","0.71073","MoKα","","0.0637","0.0448","","","0.1318","0.1449","","","","","","1.005","","","","has coordinates","184896","2020-10-21","18:00:00",""
"1543814","8.1254","0.0007","14.0815","0.0011","10.0099","0.0008","90","","110.328","0.004","90","","1073.98","0.15","200","2","200","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C23 H26 Cl N O3 S -","- C23 H26 Cl N O3 S -","- C46 H52 Cl2 N2 O6 S2 -","2","1","","Yeh, Ming-Chang P; Shiue, Yuan-Shin; Lin, Hsin-Hui; Yu, Tzu-Yu; Hu, Ting-Chia; Hong, Jia-Jyun","Iron(II) Halide Promoted Cyclization of Cyclic 2-Enynamides: Stereoselective Synthesis of Halogenated Bicyclic γ-Lactams.","Organic letters","2016","18","10","2407","2410","10.1021/acs.orglett.6b00916","","","0.71073","MoKα","","0.0953","0.0908","","","0.2392","0.2433","","","","","","1.11","","","","has coordinates","184897","2020-10-21","18:00:00",""
"1543815","12.314","0.004","16.902","0.006","19.984","0.008","90","","107.769","0.006","90","","3961","2","200","2","200","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C19 H20 Cl N O3 S2 -","- C19 H20 Cl N O3 S2 -","- C152 H160 Cl8 N8 O24 S16 -","8","1","","Yeh, Ming-Chang P; Shiue, Yuan-Shin; Lin, Hsin-Hui; Yu, Tzu-Yu; Hu, Ting-Chia; Hong, Jia-Jyun","Iron(II) Halide Promoted Cyclization of Cyclic 2-Enynamides: Stereoselective Synthesis of Halogenated Bicyclic γ-Lactams.","Organic letters","2016","18","10","2407","2410","10.1021/acs.orglett.6b00916","","","0.71073","MoKα","","0.0534","0.0462","","","0.1146","0.1203","","","","","","1.031","","","","has coordinates","184898","2020-10-21","18:00:00",""
"1543816","11.767","0.0003","12.4537","0.0004","15.7544","0.0004","80.281","0.001","88.759","0.001","84.902","0.001","2266.5","0.11","200","2","200","2","","","","","","","","6","P -1","-P 1","2","","","","- C24 H28 Cl N O3 S -","- C24 H28 Cl N O3 S -","- C96 H112 Cl4 N4 O12 S4 -","4","2","","Yeh, Ming-Chang P; Shiue, Yuan-Shin; Lin, Hsin-Hui; Yu, Tzu-Yu; Hu, Ting-Chia; Hong, Jia-Jyun","Iron(II) Halide Promoted Cyclization of Cyclic 2-Enynamides: Stereoselective Synthesis of Halogenated Bicyclic γ-Lactams.","Organic letters","2016","18","10","2407","2410","10.1021/acs.orglett.6b00916","","","0.71073","MoKα","","0.0547","0.0414","","","0.1161","0.1349","","","","","","1.079","","","","has coordinates","184899","2020-10-21","18:00:00",""
"1543817","23.544","0.002","6.96","0.0005","24.234","0.002","90","","90","","90","","3971.1","0.6","200","2","200","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C21 H22 Br N O3 S -","- C21 H22 Br N O3 S -","- C168 H176 Br8 N8 O24 S8 -","8","2","","Yeh, Ming-Chang P; Shiue, Yuan-Shin; Lin, Hsin-Hui; Yu, Tzu-Yu; Hu, Ting-Chia; Hong, Jia-Jyun","Iron(II) Halide Promoted Cyclization of Cyclic 2-Enynamides: Stereoselective Synthesis of Halogenated Bicyclic γ-Lactams.","Organic letters","2016","18","10","2407","2410","10.1021/acs.orglett.6b00916","","","0.71073","MoKα","","0.0795","0.0554","","","0.1228","0.1334","","","","","","0.955","","","","has coordinates","184900","2020-10-21","18:00:00",""
"1543818","11.2348","0.0005","11.3819","0.0006","14.1336","0.0006","87.511","0.004","81.82","0.004","82.982","0.004","1774.9","0.15","291","2","291","2","","","","","","","","4","P -1","-P 1","2","","","","- C38 H48 O6 Si -","- C38 H48 O6 Si -","- C76 H96 O12 Si2 -","2","1","","Zhou, Jia-Hui; Cai, Sai-Hu; Xu, Yun-He; Loh, Teck-Peng","Anomalous Reactivity and Selectivity in the Intermolecular Diels-Alder Reactions of Multisubstituted Acyclic Dienes with Geometrical Isomers of Enals.","Organic letters","2016","18","10","2355","2358","10.1021/acs.orglett.6b00783","","","0.71073","MoKα","","0.0804","0.0562","","","0.1307","0.146","","","","","","1.032","","","","has coordinates,has disorder","184901","2020-10-21","18:00:00",""
"1543819","12.1373","0.0003","12.1458","0.0003","12.5058","0.0003","95.4973","0.0011","105.159","0.0011","113.259","0.0011","1593.08","0.07","93","","93","","","","","","","","","5","P -1","-P 1","2","","","","- C30 H39 N3 O10 S -","- C30 H39 N3 O10 S -","- C60 H78 N6 O20 S2 -","2","1","","Yamaguchi, Mami; Hayashi, Minami; Hamada, Yasumasa; Nemoto, Tetsuhiro","Synthetic Study of Pactamycin: Enantioselective Construction of the Pactamycin Core with Five Contiguous Stereocenters.","Organic letters","2016","18","10","2347","2350","10.1021/acs.orglett.6b00761","","","1.54187","CuKα","","","0.0634","","","","0.1954","","","","","","1.129","","","","has coordinates","184902","2020-10-21","18:00:00",""
"1543820","30.399","0.006","12.677","0.003","14.356","0.003","90","","90","","90","","5532","2","293","2","293","2","","","","","","","","3","F d d 2","F 2 -2d","43","","","","- C18 H17 N -","- C18 H17 N -","- C288 H272 N16 -","16","1","","Zhou, Shuguang; Wang, Jinhu; Zhang, Feifei; Song, Chao; Zhu, Jin","A Versatile, Traceless C-H Activation-Based Approach for the Synthesis of Heterocycles.","Organic letters","2016","18","10","2427","2430","10.1021/acs.orglett.6b00949","","","0.71073","MoKα","","0.0733","0.0435","","","0.1013","0.119","","","","","","1.003","","","","has coordinates","184903","2020-10-21","18:00:00",""
"1543821","14.736","0.003","5.881","0.0012","14.065","0.003","90","","107.9","0.03","90","","1159.9","0.5","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C12 H15 N O3 -","- C12 H15 N O3 -","- C48 H60 N4 O12 -","4","1","","Zhou, Shuguang; Wang, Jinhu; Zhang, Feifei; Song, Chao; Zhu, Jin","A Versatile, Traceless C-H Activation-Based Approach for the Synthesis of Heterocycles.","Organic letters","2016","18","10","2427","2430","10.1021/acs.orglett.6b00949","","","0.71073","MoKα","","0.0772","0.0566","","","0.146","0.1649","","","","","","1.004","","","","has coordinates","184904","2020-10-21","18:00:00",""
"1543822","12.08","0.002","8.276","0.0017","12.564","0.003","90","","90.03","0.03","90","","1256.1","0.4","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C16 H15 N -","- C16 H15 N -","- C64 H60 N4 -","4","1","","Zhou, Shuguang; Wang, Jinhu; Zhang, Feifei; Song, Chao; Zhu, Jin","A Versatile, Traceless C-H Activation-Based Approach for the Synthesis of Heterocycles.","Organic letters","2016","18","10","2427","2430","10.1021/acs.orglett.6b00949","","","0.71073","MoKα","","0.1544","0.0714","","","0.1755","0.2253","","","","","","1.003","","","","has coordinates","184905","2020-10-21","18:00:00",""
"1543823","8.3882","0.0003","14.1471","0.0004","14.5826","0.0005","84.405","0.003","81.153","0.003","84.229","0.003","1695.31","0.1","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C17 H22 Cl N2 Rh -","- C17 H22 Cl N2 Rh -","- C68 H88 Cl4 N8 Rh4 -","4","2","","Zhou, Shuguang; Wang, Jinhu; Zhang, Feifei; Song, Chao; Zhu, Jin","A Versatile, Traceless C-H Activation-Based Approach for the Synthesis of Heterocycles.","Organic letters","2016","18","10","2427","2430","10.1021/acs.orglett.6b00949","","","0.71073","MoKα","","0.0415","0.0302","","","0.0734","0.0803","","","","","","1.051","","","","has coordinates","184906","2020-10-21","18:00:00",""
"1543824","8.4169","0.0015","13.403","0.002","13.054","0.002","90","","107.974","0.002","90","","1400.8","0.4","298","2","298","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C14 H9 Br I N O2 -","- C14 H9 Br I N O2 -","- C56 H36 Br4 I4 N4 O8 -","4","1","","Wu, Xia; Gao, Qinghe; Geng, Xiao; Zhang, Jingjing; Wu, Yan-Dong; Wu, An-Xin","Iodine-Promoted Oxidative Cross-Coupling of Unprotected Anilines with Methyl Ketones: A Site-Selective Direct C-H Bond Functionalization to C4-Dicarbonylation of Anilines.","Organic letters","2016","18","10","2507","2510","10.1021/acs.orglett.6b01162","","","0.71073","MoKα","","0.0573","0.0329","","","0.0936","0.1082","","","","","","1.04","","","","has coordinates","184907","2020-10-21","18:00:00",""
"1543825","7.1942","0.0016","10.7514","0.0012","13.461","0.004","106.944","0.016","95.85","0.02","98.867","0.013","972.1","0.4","294.06","0.1","294.06","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C19 H22 N2 O2 -","- C19 H22 N2 O2 -","- C38 H44 N4 O4 -","2","1","","Zhao, Gaoyuan; Xie, Xingang; Sun, Haiyu; Yuan, Ziyun; Zhong, Zhuliang; Tang, Shouchu; She, Xuegong","Bioinspired Collective Syntheses of Iboga-Type Indole Alkaloids.","Organic letters","2016","18","10","2447","2450","10.1021/acs.orglett.6b00989","","x-ray","0.71073","MoKα","","0.1707","0.0991","","","0.2898","0.3492","","","","","","0.998","","","","has coordinates","184908","2020-10-21","18:00:00",""
"1543826","8.0151","0.0006","9.9592","0.0008","10.3467","0.0008","69.516","0.004","72.945","0.004","89.454","0.004","735.66","0.1","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H18 N O5 P -","- C14 H18 N O5 P -","- C28 H36 N2 O10 P2 -","2","1","","Phatake, Ravindra S.; Patel, Pitambar; Ramana, Chepuri V.","Ir(III)-Catalyzed Carbenoid Functionalization of Benzamides: Synthesis of N-Methoxyisoquinolinediones and N-Methoxyisoquinolinones.","Organic letters","2016","18","12","2828","2831","10.1021/acs.orglett.6b01072","","","0.71073","MoKα","","0.0928","0.0517","","","0.1405","0.1651","","","","","","1.043","","","","has coordinates","184909","2020-10-21","18:00:00",""
"1543827","9.2286","0.0006","12.6651","0.0009","8.3177","0.0006","90","","96.24","0.003","90","","966.42","0.12","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C10 H8 Cl N O3 -","- C10 H8 Cl N O3 -","- C40 H32 Cl4 N4 O12 -","4","1","","Phatake, Ravindra S.; Patel, Pitambar; Ramana, Chepuri V.","Ir(III)-Catalyzed Carbenoid Functionalization of Benzamides: Synthesis of N-Methoxyisoquinolinediones and N-Methoxyisoquinolinones.","Organic letters","2016","18","12","2828","2831","10.1021/acs.orglett.6b01072","","","0.71073","MoKα","","0.0697","0.0511","","","0.1419","0.156","","","","","","1.024","","","","has coordinates","184910","2020-10-21","18:00:00",""
"1543828","19.3078","0.0013","10.3786","0.0007","20.7335","0.0014","90","","90","","90","","4154.7","0.5","296.15","","296.15","","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C26 H22 N2 O2 -","- C26 H22 N2 O2 -","- C208 H176 N16 O16 -","8","2","","Zhang, Jianbo; Han, Xiuling; Lu, Xiyan","Synthesis of Indole-Substituted Indanones via Palladium(II)-Catalyzed Tandem Reaction of ortho-Electron-Deficient Alkynyl-Substituted Aryl Aldehydes with Indoles.","Organic letters","2016","18","12","2898","2901","10.1021/acs.orglett.6b01240","","","0.71073","MoKα","","0.0854","0.0425","","","0.0892","0.1065","","","","","","1.002","","","","has coordinates","184911","2020-10-21","18:00:00",""
"1543829","7.2748","0.0002","12.323","0.0003","13.1676","0.0003","114.212","0.001","90.277","0.001","91.395","0.001","1076.14","0.05","140","2","140","2","","","","","","","","3","P 1","P 1","1","","","","- C26 H32 O5 -","- C26 H32 O5 -","- C52 H64 O10 -","2","2","","Liu, Cui-Ping; Wang, Guo-Cai; Gan, Li-She; Xu, Cheng-Hui; Liu, Qun-Fang; Ding, Jian; Yue, Jian-Min","Ciliatonoids A and B, Two Limonoids from Toona ciliata.","Organic letters","2016","18","12","2894","2897","10.1021/acs.orglett.6b01213","","","1.54178","CuKα","","0.0648","0.0628","","","0.1622","0.1693","","","","","","1.023","","","","has coordinates","184912","2020-10-21","18:00:00",""
"1543830","8.959","0.002","10.483","0.002","13.867","0.003","77.615","0.003","85.443","0.003","71.589","0.003","1206.8","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H22 F3 N O2 -","- C30 H22 F3 N O2 -","- C60 H44 F6 N2 O4 -","2","1","","He, Ke-Han; Zhang, Wei-Dong; Yang, Ming-Yu; Tang, Kai-Li; Qu, Mengnan; Ding, You-Song; Li, Yang","Redox-Divergent Hydrogen-Retentive or Hydrogen-Releasing Synthesis of 3,4-Dihydroisoquinolines or Isoquinolines.","Organic letters","2016","18","12","2840","2843","10.1021/acs.orglett.6b01091","","","0.71073","MoKα","","0.0708","0.0516","","","0.135","0.1499","","","","","","1.055","","","","has coordinates","184913","2020-10-21","18:00:00",""
"1543831","9.2698","0.0011","12.7098","0.0014","14.3453","0.0015","74.173","0.007","75.883","0.007","79.171","0.007","1563.5","0.3","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C36 H24 Cl4 N O0 -","- C36 H24 Cl4 N -","- C72 H48 Cl8 N2 -","2","1","","He, Ke-Han; Zhang, Wei-Dong; Yang, Ming-Yu; Tang, Kai-Li; Qu, Mengnan; Ding, You-Song; Li, Yang","Redox-Divergent Hydrogen-Retentive or Hydrogen-Releasing Synthesis of 3,4-Dihydroisoquinolines or Isoquinolines.","Organic letters","2016","18","12","2840","2843","10.1021/acs.orglett.6b01091","","","0.71073","MoKα","","0.1651","0.0992","","","0.2923","0.3334","","","","","","1.061","","","","has coordinates,has disorder","184914","2020-10-21","18:00:00",""
"1543832","36.1249","0.0019","17.0168","0.0009","8.3417","0.0004","90","","93.726","0.003","90","","5117.1","0.5","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C31 H37 O Si -","- C31 H37 O Si -","- C248 H296 O8 Si8 -","8","1","","Yadav, Priya; Das, Soumyajit; Phan, Hoa; Herng, Tun Seng; Ding, Jun; Wu, Jishan","Kinetically Blocked Stable 5,6:12,13-Dibenzozethrene: A Laterally π-Extended Zethrene with Enhanced Diradical Character.","Organic letters","2016","18","12","2886","2889","10.1021/acs.orglett.6b01196","","","1.54178","CuKα","","0.1215","0.0962","","","0.2006","0.2142","","","","","","1.072","","","","has coordinates,has disorder","184915","2020-10-21","18:00:00",""
"1543833","39.372","0.002","8.0823","0.0002","27.4716","0.0014","90","","121.374","0.007","90","","7463.7","0.8","171.8","","171.8","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C39 H42 O18 -","- C39 H42 O18 -","- C312 H336 O144 -","8","1","","Xia, Danyu; Li, Yang; Jie, Kecheng; Shi, Bingbing; Yao, Yong","A Water-Soluble Cyclotriveratrylene-Based Supra-amphiphile: Synthesis, pH-Responsive Self-Assembly in Water, and Its Application in Controlled Drug Release.","Organic letters","2016","18","12","2910","2913","10.1021/acs.orglett.6b01264","","","1.54184","CuKα","","0.0617","0.0508","","","0.1304","0.1431","","","","","","1.032","","","","has coordinates,has disorder","184916","2020-10-21","18:00:00",""
"1543834","20.2347","0.001","20.2347","0.001","9.6664","0.0005","90","","90","","90","","3957.8","0.3","100","2","100","2","","","","","","","","4","P 4/n c c","-P 4a 2ac","130","cis-porphyrin","21,22-Dimethyl-5,10,15,20-tetrakis(pentafluorophenyl)porphyrin","","- C46 H14 F20 N4 -","- C46 H14 F20 N4 -","- C184 H56 F80 N16 -","4","","","Naito, Wakana; Yasuda, Nobuhiro; Morimoto, Tatsuki; Shigeta, Yasuteru; Takaya, Hikaru; Hisaki, Ichiro; Maeda, Hiromitsu","Doubly N-Methylated Porphyrinoids.","Organic letters","2016","18","12","3006","3009","10.1021/acs.orglett.6b01377","","","0.8","synchrotron","","0.0912","0.0586","","","0.1582","0.1876","","","","","","1.035","","","","has coordinates,has disorder","184917","2020-10-21","18:00:00",""
"1543835","29.637","0.007","11.513","0.002","36.067","0.007","90","","116.512","0.015","90","","11012","4","93","2","93","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C31 H11 F15 N2 O2 -","- C31 H11 F15 N2 O2 -","- C496 H176 F240 N32 O32 -","16","4","","Naito, Wakana; Yasuda, Nobuhiro; Morimoto, Tatsuki; Shigeta, Yasuteru; Takaya, Hikaru; Hisaki, Ichiro; Maeda, Hiromitsu","Doubly N-Methylated Porphyrinoids.","Organic letters","2016","18","12","3006","3009","10.1021/acs.orglett.6b01377","","","1.54187","CuKα","","0.1076","0.0773","","","0.2007","0.2329","","","","","","1.019","","","","has coordinates","214153","2020-10-21","18:00:00",""
"1543836","6.934","0.003","11.235","0.004","19.486","0.008","90","","90","","90","","1518","1.1","93","2","93","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C17 H13 F5 N2 -","- C17 H13 F5 N2 -","- C68 H52 F20 N8 -","4","1","","Naito, Wakana; Yasuda, Nobuhiro; Morimoto, Tatsuki; Shigeta, Yasuteru; Takaya, Hikaru; Hisaki, Ichiro; Maeda, Hiromitsu","Doubly N-Methylated Porphyrinoids.","Organic letters","2016","18","12","3006","3009","10.1021/acs.orglett.6b01377","","","1.54187","CuKα","","0.037","0.0367","","","0.0954","0.0958","","","","","","1.034","","","","has coordinates","184917","2020-10-21","18:00:00",""
"1543837","10.44","0.002","21.459","0.004","13.031","0.002","90","","107.973","0.003","90","","2776.9","0.9","93","2","93","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C31 H11 F15 N2 O2 -","- C31 H11 F15 N2 O2 -","- C124 H44 F60 N8 O8 -","4","1","","Naito, Wakana; Yasuda, Nobuhiro; Morimoto, Tatsuki; Shigeta, Yasuteru; Takaya, Hikaru; Hisaki, Ichiro; Maeda, Hiromitsu","Doubly N-Methylated Porphyrinoids.","Organic letters","2016","18","12","3006","3009","10.1021/acs.orglett.6b01377","","","1.54187","CuKα","","0.0446","0.0406","","","0.1187","0.1212","","","","","","1.063","","","","has coordinates","184917","2020-10-21","18:00:00",""
"1543838","29.84","0.03","85.63","0.07","5.44","0.004","90","","90","","90","","13900","2","100","2","100","2","","","","","","","","4","F d d 2","F 2 -2d","43","","5,10,15-Tris(pentafluorophenyl)-21,22-dimethylcorrole","","- C39 H15 F15 N4 -","- C39 H15 F15 N4 -","- C624 H240 F240 N64 -","16","1","","Naito, Wakana; Yasuda, Nobuhiro; Morimoto, Tatsuki; Shigeta, Yasuteru; Takaya, Hikaru; Hisaki, Ichiro; Maeda, Hiromitsu","Doubly N-Methylated Porphyrinoids.","Organic letters","2016","18","12","3006","3009","10.1021/acs.orglett.6b01377","","","0.78203","Synchrotron","","0.1793","0.0658","","","0.1219","0.1463","","","","","","0.736","","","","has coordinates,has disorder","184917","2020-10-21","18:00:00",""
"1543839","11.642","0.0019","30.056","0.005","11.989","0.002","90","","105.322","0.003","90","","4046","1.2","90","2","90","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","p-EtOcorrole","5,10,15-Tris(4-ethoxy-2,3,5,6-tetrafluorophenyl)-21,22-dimethylcorrole","","- C45.2 H30.81 F12 N4 O3.2 -","- C45.202 H30.808 F12 N4 O3.202 -","- C180.808 H123.232 F48 N16 O12.808 -","4","1","","Naito, Wakana; Yasuda, Nobuhiro; Morimoto, Tatsuki; Shigeta, Yasuteru; Takaya, Hikaru; Hisaki, Ichiro; Maeda, Hiromitsu","Doubly N-Methylated Porphyrinoids.","Organic letters","2016","18","12","3006","3009","10.1021/acs.orglett.6b01377","","","0.78203","Synchrotron","","0.1172","0.0668","","","0.1493","0.1973","","","","","","1.107","","","","has coordinates","184917","2020-10-21","18:00:00",""
"1543840","10.2204","0.0018","14.8005","0.0013","15.9075","0.0012","65.355","0.014","88.006","0.011","86.758","0.012","2183.4","0.5","93","2","93","2","","","","","","","","6","P -1","-P 1","2","","","","- C47.5 H17 Cl3 F20 N4 O -","- C47.5 H17 Cl3 F20 N4 O -","- C95 H34 Cl6 F40 N8 O2 -","2","1","","Naito, Wakana; Yasuda, Nobuhiro; Morimoto, Tatsuki; Shigeta, Yasuteru; Takaya, Hikaru; Hisaki, Ichiro; Maeda, Hiromitsu","Doubly N-Methylated Porphyrinoids.","Organic letters","2016","18","12","3006","3009","10.1021/acs.orglett.6b01377","","","1.54187","CuKα","","0.0938","0.0811","","","0.2377","0.248","","","","","","1.007","","","","has coordinates,has disorder","184917","2020-10-21","18:00:00",""
"1543841","8.184","0.0015","9.7886","0.0017","10.6117","0.0019","107.346","0.004","97.071","0.004","111.202","0.004","730.6","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H15 Br N2 O -","- C18 H15 Br N2 O -","- C36 H30 Br2 N4 O2 -","2","1","","Wang, He; Li, Lei; Yu, Songjie; Li, Yunyun; Li, Xingwei","Rh(III)-Catalyzed C-C/C-N Coupling of Imidates with α-Diazo Imidamide: Synthesis of Isoquinoline-Fused Indoles.","Organic letters","2016","18","12","2914","2917","10.1021/acs.orglett.6b01284","","","0.71073","MoKα","","0.0493","0.0364","","","0.0895","0.095","","","","","","0.998","","","","has coordinates","184918","2020-10-21","18:00:00",""
"1543842","19.5138","0.0006","7.8297","0.0002","25.5113","0.0008","90","","105.181","0.0015","90","","3761.77","0.19","93","2","93","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C45 H45 N5 O2 Zn -","- C45 H45 N5 O2 Zn -","- C180 H180 N20 O8 Zn4 -","4","1","","Omori, Hiroto; Hiroto, Satoru; Shinokubo, Hiroshi","Synthesis of Free-Base 10-Azacorroles.","Organic letters","2016","18","12","2978","2981","10.1021/acs.orglett.6b01323","","","0.71073","MoKα","","0.0576","0.0481","","","0.1215","0.1288","","","","","","1.038","","","","has coordinates,has disorder","184919","2020-10-21","18:00:00",""
"1543843","16.4227","0.0016","20.557","0.002","12.5961","0.0012","90","","112.282","0.002","90","","3934.9","0.7","93","2","93","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C45 H40.84 Br0.16 Cl2 N5 Pd -","- C45 H40.839 Br0.161 Cl2 N5 Pd -","- C180 H163.356 Br0.644 Cl8 N20 Pd4 -","4","1","","Omori, Hiroto; Hiroto, Satoru; Shinokubo, Hiroshi","Synthesis of Free-Base 10-Azacorroles.","Organic letters","2016","18","12","2978","2981","10.1021/acs.orglett.6b01323","","","0.71073","MoKα","","0.0887","0.0739","","","0.1692","0.1829","","","","","","1.13","","","","has coordinates,has disorder","184920","2020-10-21","18:00:00",""
"1543844","7.3051","0.001","11.626","0.0015","20.629","0.003","90","","90","","90","","1752","0.4","295","1","295","1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C19 H17 Br N2 O4 -","- C19 H17 Br N2 O4 -","- C76 H68 Br4 N8 O16 -","4","1","","Cayuelas, Alberto; Ortiz, Ricardo; Nájera, Carmen; Sansano, José M; Larrañaga, Olatz; de Cózar, Abel; Cossío, Fernando P","Enantioselective Synthesis of Polysubstituted Spiro-nitroprolinates Mediated by a (R,R)-Me-DuPhos·AgF-Catalyzed 1,3-Dipolar Cycloaddition.","Organic letters","2016","18","12","2926","2929","10.1021/acs.orglett.6b01273","","","0.71073","MoKα","","0.0471","0.0307","","","0.0593","0.0633","","","","","","0.94","","","","has coordinates","184921","2020-10-21","18:00:00",""
"1543845","21.859","0.004","10.0395","0.0018","20.683","0.004","90","","114.307","0.002","90","","4136.6","1.3","93","","93","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C60 H116 Mo8 N8 O26 -","- C60 H116 Mo8 N8 O26 -","- C120 H232 Mo16 N16 O52 -","2","0.5","","Kobayashi, Jun; Kawahara, Ryosuke; Uchida, Sayaka; Koguchi, Shinichi; Ito, Takeru","Conductive Hybrid Crystal Composed from Polyoxomolybdate and Deprotonatable Ionic-Liquid Surfactant.","International journal of molecular sciences","2016","17","7","994","","10.3390/ijms17070994","","","0.71075","MoKα","","0.0579","0.0422","","","0.1063","0.1292","","","","","","1.203","","","","has coordinates","185027","2020-10-21","18:00:00",""
"1543846","16.54064","0.00005","16.54064","0.00005","16.54064","0.00005","90","","90","","90","","4525.4","0.02","293","","293","","","","","","","","","4","F m -3 m","-F 4 2 3","225","","","","- As23 Cu36.152 Eu7 Ni7.848 -","- As23 Cu36.168 Eu7 Ni7.832 -","- As92 Cu144.672 Eu28 Ni31.328 -","4","0.0208333","","Plokhikh, Igor; Charkin, Dmitri; Verchenko, Valeriy; Ignatyev, Ivan; Kazakov, Sergey; Sobolev, Alexey; Presniakov, Igor; Tsirlin, Alexander; Shevelkov, Andrei","Effect of Transition Metal Substitution on the Structure and Properties of a Clathrate-Like Compound Eu7Cu44As23","Materials","2016","9","7","587","","10.3390/ma9070587","powder diffraction","x-ray","1.5418","CuKα","","0.0158","0.0155","","0.0211","0.021","","","","1.81","","","","","","","has coordinates","185028","2020-10-21","18:00:00",""
"1543847","16.64867","0.00018","16.64867","0.00018","16.64867","0.00018","90","","90","","90","","4614.65","0.09","293","","293","","","","","","","","","3","F m -3 m","-F 4 2 3","225","","","","- As23 Cu44 Eu7 -","- As23 Cu44 Eu7 -","- As92 Cu176 Eu28 -","4","0.0208333","","Plokhikh, Igor; Charkin, Dmitri; Verchenko, Valeriy; Ignatyev, Ivan; Kazakov, Sergey; Sobolev, Alexey; Presniakov, Igor; Tsirlin, Alexander; Shevelkov, Andrei","Effect of Transition Metal Substitution on the Structure and Properties of a Clathrate-Like Compound Eu7Cu44As23","Materials","2016","9","7","587","","10.3390/ma9070587","powder diffraction","x-ray","1.5418","CuKα","","0.0368","0.036","","0.0426","0.0425","","","","2.39","","","","","","","has coordinates","185029","2020-10-21","18:00:00",""
"1543848","16.54206","0.00016","16.54206","0.00016","16.54206","0.00016","90","","90","","90","","4526.57","0.08","293","","293","","","","","","","","","4","F m -3 m","-F 4 2 3","225","","","","- As23 Co4.779 Cu39.221 Eu7 -","- As23 Co5.28 Cu38.72 Eu7 -","- As92 Co21.12 Cu154.88 Eu28 -","4","0.0208333","","Plokhikh, Igor; Charkin, Dmitri; Verchenko, Valeriy; Ignatyev, Ivan; Kazakov, Sergey; Sobolev, Alexey; Presniakov, Igor; Tsirlin, Alexander; Shevelkov, Andrei","Effect of Transition Metal Substitution on the Structure and Properties of a Clathrate-Like Compound Eu7Cu44As23","Materials","2016","9","7","587","","10.3390/ma9070587","powder diffraction","x-ray","1.5418","CuKα","","0.0211","0.0194","","0.0258","0.0257","","","","2.47","","","","","","","has coordinates","185030","2020-10-21","18:00:00",""
"1543849","16.62514","0.00002","16.62514","0.00002","16.62514","0.00002","90","","90","","90","","4595.11","0.01","293","","293","","","","","","","","","4","F m -3 m","-F 4 2 3","225","","","","- As23 Cu37.231 Eu7 Fe6.769 -","- As23 Cu37.2304 Eu7 Fe6.7696 -","- As92 Cu148.922 Eu28 Fe27.0784 -","4","0.0208333","","Plokhikh, Igor; Charkin, Dmitri; Verchenko, Valeriy; Ignatyev, Ivan; Kazakov, Sergey; Sobolev, Alexey; Presniakov, Igor; Tsirlin, Alexander; Shevelkov, Andrei","Effect of Transition Metal Substitution on the Structure and Properties of a Clathrate-Like Compound Eu7Cu44As23","Materials","2016","9","7","587","","10.3390/ma9070587","powder diffraction","x-ray","1.5418","CuKα","","0.0193","0.0176","","0.0194","0.0191","","","","1.47","","","","","","","has coordinates","185031","2020-10-21","18:00:00",""
"1543850","16.483","0.00007","16.483","0.00007","16.483","0.00007","90","","90","","90","","4478.25","0.03","293","","293","","","","","","","","","4","F m -3 m","-F 4 2 3","225","","","","- As23 Cu25.186 Eu7 Ni18.814 -","- As23 Cu25.752 Eu7 Ni18.248 -","- As92 Cu103.008 Eu28 Ni72.992 -","4","0.0208333","","Plokhikh, Igor; Charkin, Dmitri; Verchenko, Valeriy; Ignatyev, Ivan; Kazakov, Sergey; Sobolev, Alexey; Presniakov, Igor; Tsirlin, Alexander; Shevelkov, Andrei","Effect of Transition Metal Substitution on the Structure and Properties of a Clathrate-Like Compound Eu7Cu44As23","Materials","2016","9","7","587","","10.3390/ma9070587","powder diffraction","x-ray","1.5418","CuKα","","0.023","0.0203","","0.0216","0.0209","","","","1.38","","","","","","","has coordinates","185032","2020-10-21","18:00:00",""
"1543851","16.3719","0.0001","16.3719","0.0001","16.3719","0.0001","90","","90","","90","","4388.31","0.05","293","","293","","","","","","","","","4","F m -3 m","-F 4 2 3","225","","","","- As23 Cu16.835 Eu7 Ni27.165 -","- As23 Cu16.8336 Eu7 Ni27.164 -","- As92 Cu67.3344 Eu28 Ni108.656 -","4","0.0208333","","Plokhikh, Igor; Charkin, Dmitri; Verchenko, Valeriy; Ignatyev, Ivan; Kazakov, Sergey; Sobolev, Alexey; Presniakov, Igor; Tsirlin, Alexander; Shevelkov, Andrei","Effect of Transition Metal Substitution on the Structure and Properties of a Clathrate-Like Compound Eu7Cu44As23","Materials","2016","9","7","587","","10.3390/ma9070587","powder diffraction","x-ray","1.5418","CuKα","","0.0164","0.0162","","0.0204","0.0204","","","","1.3","","","","","","","has coordinates","185033","2020-10-21","18:00:00",""
"1543852","11.829","0.002","12.023","0.002","19.877","0.004","90","","90","","90","","2826.9","0.9","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H13 Cl O3 -","- C16 H13 Cl O3 -","- C128 H104 Cl8 O24 -","8","2","","Wen, Genfa; Su, Yingpeng; Zhang, Guoxiang; Lin, Qiqiao; Zhu, Yujin; Zhang, Qianqian; Fang, Xinqiang","Stereodivergent Synthesis of Chromanones and Flavanones via Intramolecular Benzoin Reaction.","Organic letters","2016","18","16","3980","3983","10.1021/acs.orglett.6b01767","","","0.71073","MoKα","","0.0339","0.0318","","","0.0848","0.0869","","","","","","1.026","","","","has coordinates","187962","2020-10-21","18:00:00",""
"1543853","14.024","0.003","14.801","0.003","16.889","0.003","105.53","0.03","108.36","0.03","91.5","0.03","3182.2","1.4","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C31.5 H36 Cl3 Fe N3 -","- C31.5 H36 Cl3 Fe N3 -","- C126 H144 Cl12 Fe4 N12 -","4","2","","Du, Shizhen; Wang, Xinxin; Zhang, Wenjuan; Flisak, Zygmunt; Sun, Yang; Sun, Wen-Hua","A practical ethylene polymerization for vinyl-polyethylenes: synthesis, characterization and catalytic behavior of α,α′-bisimino-2,3:5,6-bis(pentamethylene)pyridyliron chlorides","Polym. Chem.","2016","7","25","4188","","10.1039/C6PY00745G","","","0.71073","MoKα","","0.0705","0.06","","","0.1463","0.1527","","","","","","1.107","","","","has coordinates","214153","2020-10-21","18:00:00",""
"1543858","9.6246","0.0007","5.2079","0.0004","43.103","0.003","90","","100.201","0.002","90","","2126.3","0.3","190","2","190","2","","","","","","","","4","I 1 2 1","I 2y","5","L-aminobutanoic acid","S-2-aminobutanoic acid","","- C4 H9 N O2 -","- C4 H9 N O2 -","- C64 H144 N16 O32 -","16","4","ED5010","Görbitz, Carl Henrik; Karen, Pavel; Dušek, Michal; Petříček, Václav","An exceptional series of phase transitions in hydrophobic amino acids with linear side chains","IUCrJ","2016","3","5","","","10.1107/S2052252516010472","","","0.71073","MoKα","","0.0475","0.039","","","0.101","0.105","","","","","","1.065","","","","has coordinates,has disorder","185715","2020-10-21","18:00:00",""
"1543859","9.6176","0.0009","5.2126","0.0005","21.768","0.002","90","","101.123","0.003","90","","1070.79","0.17","215","2","215","2","","","","","","","","4","P 1 21 1","P 2yb","4","L-aminobutanoic acid","S-2-aminobutanoic acid","","- C4 H9 N O2 -","- C4 H9 N O2 -","- C32 H72 N8 O16 -","8","4","","Görbitz, Carl Henrik; Karen, Pavel; Dušek, Michal; Petříček, Václav","An exceptional series of phase transitions in hydrophobic amino acids with linear side chains","IUCrJ","2016","3","5","","","10.1107/S2052252516010472","","","0.71073","MoKα","","0.0523","0.038","","","0.0861","0.0922","","","","","","1.075","","","","has coordinates,has disorder","185715","2020-10-21","18:00:00",""
"1543860","9.6132","0.0006","5.2239","0.0003","22.4134","0.0016","90","","101.453","0.002","90","","1103.15","0.12","330","2","330","2","","","","","","","","4","P 1 21 1","P 2yb","4","L-aminobutanoic acid","S-2-aminobutanoic acid","","- C4 H9 N O2 -","- C4 H9 N O2 -","- C32 H72 N8 O16 -","8","4","","Görbitz, Carl Henrik; Karen, Pavel; Dušek, Michal; Petříček, Václav","An exceptional series of phase transitions in hydrophobic amino acids with linear side chains","IUCrJ","2016","3","5","","","10.1107/S2052252516010472","","","0.71073","MoKα","","0.1134","0.0772","","","0.1649","0.1893","","","","","","1.082","","","","has coordinates,has disorder","185715","2020-10-21","18:00:00",""
"1543861","9.6233","0.0012","5.2274","0.0006","22.877","0.003","90","","100.764","0.004","90","","1130.6","0.2","365","2","365","2","","","","","","","","4","C 1 2 1","C 2y","5","L-aminobutanoic acid","S-2-aminobutanoic acid","","- C4 H9 N O2 -","- C4 H9 N O2 -","- C32 H72 N8 O16 -","8","2","","Görbitz, Carl Henrik; Karen, Pavel; Dušek, Michal; Petříček, Václav","An exceptional series of phase transitions in hydrophobic amino acids with linear side chains","IUCrJ","2016","3","5","","","10.1107/S2052252516010472","","","0.71073","MoKα","","0.0735","0.0473","","","0.0933","0.1028","","","","","","1.167","","","","has coordinates,has disorder","185715","2020-10-21","18:00:00",""
"1543862","9.6123","0.0015","5.1222","0.0009","13.183","0.002","90","","98.609","0.005","90","","641.77","0.18","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","L-norvaline","S-2-aminopentanoic acid","","- C5 H11 N O2 -","- C5 H11 N O2 -","- C20 H44 N4 O8 -","4","2","","Görbitz, Carl Henrik; Karen, Pavel; Dušek, Michal; Petříček, Václav","An exceptional series of phase transitions in hydrophobic amino acids with linear side chains","IUCrJ","2016","3","5","","","10.1107/S2052252516010472","","","0.71073","MoKα","","0.0652","0.0509","","","0.1002","0.1064","","","","","","1.062","","","","has coordinates","185715","2020-10-21","18:00:00",""
"1543863","9.604","0.003","5.1222","0.0016","13.352","0.004","90","","97.137","0.007","90","","651.7","0.3","190","2","190","2","","","","","","","","4","P 1 21 1","P 2yb","4","L-norvaline","S-2-aminopentanoic acid","","- C5 H11 N O2 -","- C5 H11 N O2 -","- C20 H44 N4 O8 -","4","2","","Görbitz, Carl Henrik; Karen, Pavel; Dušek, Michal; Petříček, Václav","An exceptional series of phase transitions in hydrophobic amino acids with linear side chains","IUCrJ","2016","3","5","","","10.1107/S2052252516010472","","","0.71073","MoKα","","0.0978","0.0521","","","0.1014","0.1167","","","","","","1.044","","","","has coordinates","185715","2020-10-21","18:00:00",""
"1543864","9.5868","0.0008","5.156","0.0004","27.477","0.003","90","","93.203","0.003","90","","1356.1","0.2","220","2","220","2","","","","","","","","4","I 1 2 1","I 2y","5","L-norvaline","S-2-aminopentanoic acid","","- C5 H11 N O2 -","- C4.998 H10.996 N O2 -","- C39.984 H87.968 N8 O16 -","8","2","","Görbitz, Carl Henrik; Karen, Pavel; Dušek, Michal; Petříček, Václav","An exceptional series of phase transitions in hydrophobic amino acids with linear side chains","IUCrJ","2016","3","5","","","10.1107/S2052252516010472","","","0.71073","MoKα","","0.059","0.0441","","","0.1038","0.1097","","","","","","1.106","","","","has coordinates,has disorder","185715","2020-10-21","18:00:00",""
"1543865","9.5855","0.0015","5.1752","0.0009","27.959","0.005","90","","92.057","0.005","90","","1386.1","0.4","270","2","270","2","","","","","","","","4","I 1 2 1","I 2y","5","L-norvaline","S-2-aminopentanoic acid","","- C5 H11 N O2 -","- C5 H11 N O2 -","- C40 H88 N8 O16 -","8","2","","Görbitz, Carl Henrik; Karen, Pavel; Dušek, Michal; Petříček, Václav","An exceptional series of phase transitions in hydrophobic amino acids with linear side chains","IUCrJ","2016","3","5","","","10.1107/S2052252516010472","","","0.71073","MoKα","","0.0882","0.0519","","","0.1208","0.1354","","","","","","1.088","","","","has coordinates,has disorder","185715","2020-10-21","18:00:00",""
"1543866","9.589","0.004","5.2054","0.0019","14.698","0.007","90","","104.77","0.005","90","","709.4","0.5","293","2","293","2","","","","","","","","4","C 1 2 1","C 2y","5","L-norvaline","S-2-aminopentanoic acid","","- C5 H11 N O2 -","- C5 H11 N O2 -","- C20 H44 N4 O8 -","4","1","","Görbitz, Carl Henrik; Karen, Pavel; Dušek, Michal; Petříček, Václav","An exceptional series of phase transitions in hydrophobic amino acids with linear side chains","IUCrJ","2016","3","5","","","10.1107/S2052252516010472","","","0.71073","MoKα","","0.0535","0.0388","","","0.1034","0.1154","","","","","","1.095","","","","has coordinates,has disorder","185715","2020-10-21","18:00:00",""
"1543867","28.516","0.005","5.2346","0.001","32.233","0.006","90","","116.25","","90","","4315.2","1.4","100","2","100","2","","","","","","","","4","C 1 2 1","C 2y","5","L-norleucine","S-2-aminohexanoic acid","","- C6 H13 N O2 -","- C6 H13 N O2 -","- C144 H312 N24 O48 -","24","6","","Görbitz, Carl Henrik; Karen, Pavel; Dušek, Michal; Petříček, Václav","An exceptional series of phase transitions in hydrophobic amino acids with linear side chains","IUCrJ","2016","3","5","","","10.1107/S2052252516010472","","","0.71073","MoKα","","0.1912","0.0813","","","0.1712","0.2193","","","","","","1.026","","","","has coordinates","185715","2020-10-21","18:00:00",""
"1543868","9.5327","0.0007","5.2545","0.0004","14.959","0.001","90","","97.628","0.002","90","","742.66","0.09","210","2","210","2","","","","","","","","4","C 1 2 1","C 2y","5","L-norleucine","S-2-aminohexanoic acid","","- C6 H13 N O2 -","- C6 H13 N O2 -","- C24 H52 N4 O8 -","4","1","","Görbitz, Carl Henrik; Karen, Pavel; Dušek, Michal; Petříček, Václav","An exceptional series of phase transitions in hydrophobic amino acids with linear side chains","IUCrJ","2016","3","5","","","10.1107/S2052252516010472","","","0.71073","MoKα","","0.0486","0.0362","","","0.0747","0.0785","","","","","","1.122","","","","has coordinates,has disorder","185715","2020-10-21","18:00:00",""
"1543869","9.5633","0.0015","5.2287","0.0009","15.674","0.003","90","","93.695","0.005","90","","782.1","0.2","330","2","330","2","","","","","","","","4","C 1 2 1","C 2y","5","L-norleucine","S-2-aminohexanoic acid","","- C6 H13 N O2 -","- C6 H13 N O2 -","- C24 H52 N4 O8 -","4","1","","Görbitz, Carl Henrik; Karen, Pavel; Dušek, Michal; Petříček, Václav","An exceptional series of phase transitions in hydrophobic amino acids with linear side chains","IUCrJ","2016","3","5","","","10.1107/S2052252516010472","","","0.71073","MoKα","","0.0911","0.051","","","0.1148","0.1294","","","","","","1.1","","","","has coordinates,has disorder","185715","2020-10-21","18:00:00",""
"1543870","9.6033","0.0015","5.2223","0.0008","15.983","0.003","90","","90.916","0.005","90","","801.5","0.2","380","2","380","2","","","","","","","","4","C 1 2 1","C 2y","5","L-norleucine","S-2-aminohexanoic acid","","- C6 H13 N O2 -","- C6 H13 N O2 -","- C24 H52 N4 O8 -","4","1","","Görbitz, Carl Henrik; Karen, Pavel; Dušek, Michal; Petříček, Václav","An exceptional series of phase transitions in hydrophobic amino acids with linear side chains","IUCrJ","2016","3","5","","","10.1107/S2052252516010472","","","0.71073","MoKα","","0.1703","0.0708","","","0.1572","0.1885","","","","","","1.092","","","","has coordinates,has disorder","185715","2020-10-21","18:00:00",""
"1543871","9.648","0.009","5.252","0.005","16.561","0.016","90","","103.11","0.02","90","","817.3","1.3","405","2","405","2","","","","","","","","4","C 1 2 1","C 2y","5","L-norleucine","S-2-aminohexanoic acid","","- C6 H13 N O2 -","- C6 H13 N O2 -","- C24 H52 N4 O8 -","4","1","","Görbitz, Carl Henrik; Karen, Pavel; Dušek, Michal; Petříček, Václav","An exceptional series of phase transitions in hydrophobic amino acids with linear side chains","IUCrJ","2016","3","5","","","10.1107/S2052252516010472","","","0.71073","MoKα","","0.2466","0.0974","","","0.1571","0.2054","","","","","","1.081","","","","has coordinates,has disorder","185715","2020-10-21","18:00:00",""
"1543872","9.5118","0.0006","5.1936","0.0004","15.3419","0.001","90","","97.635","0.002","90","","751.18","0.09","289","2","289","2","","","","","","","","5","P 1 21 1","P 2yb","4","L-methionine","S-2-amino-4-(methylthio)butanoic acid","","- C5 H11 N O2 S -","- C4.998 H10.996 N O2 S0.9995 -","- C19.992 H43.984 N4 O8 S3.998 -","4","2","","Görbitz, Carl Henrik; Karen, Pavel; Dušek, Michal; Petříček, Václav","An exceptional series of phase transitions in hydrophobic amino acids with linear side chains","IUCrJ","2016","3","5","","","10.1107/S2052252516010472","","","0.71073","MoKα","","0.0625","0.0466","","","0.1098","0.1179","","","","","","1.046","","","","has coordinates,has disorder","185715","2020-10-21","18:00:00",""
"1543873","9.5473","0.0006","5.183","0.0003","15.583","0.001","90","","94.98","0.002","90","","768.19","0.08","320","2","320","2","","","","","","","","5","P 1 21 1","P 2yb","4","L-methionine","S-2-amino-4-(methylthio)butanoic acid","","- C5 H11 N O2 S -","- C4.996 H10.992 N O2 S0.999 -","- C19.984 H43.968 N4 O8 S3.996 -","4","2","","Görbitz, Carl Henrik; Karen, Pavel; Dušek, Michal; Petříček, Václav","An exceptional series of phase transitions in hydrophobic amino acids with linear side chains","IUCrJ","2016","3","5","","","10.1107/S2052252516010472","","","0.71073","MoKα","","0.0999","0.0657","","","0.1694","0.1887","","","","","","1.073","","","","has coordinates,has disorder","185715","2020-10-21","18:00:00",""
"1543874","9.588","0.004","5.203","0.002","16.101","0.007","90","","99.869","0.013","90","","791.3","0.6","405","2","405","2","","","","","","","","5","P 1 21 1","P 2yb","4","L-methionine","S-2-amino-4-(methylthio)butanoic acid","","- C5 H11 N O2 S -","- C5.06 H11.12 N O2 S1.015 -","- C20.24 H44.48 N4 O8 S4.06 -","4","2","","Görbitz, Carl Henrik; Karen, Pavel; Dušek, Michal; Petříček, Václav","An exceptional series of phase transitions in hydrophobic amino acids with linear side chains","IUCrJ","2016","3","5","","","10.1107/S2052252516010472","","","0.71073","MoKα","","0.1753","0.1166","","","0.2624","0.2928","","","","","","1.16","","","","has coordinates,has disorder","185715","2020-10-21","18:00:00",""
"1543875","19.7608","0.0006","12.4156","0.0004","5.0776","0.0002","90","","90","","90","","1245.75","0.07","296","2","296","2","","","","","","","","7","P n a 21","P 2c -2n","33","","4-Bromo-<i>N</i>-(4-fluorophenyl)benzenesulfonamide","","- C12 H9 Br F N O2 S -","- C12 H9 Br F N O2 S -","- C48 H36 Br4 F4 N4 O8 S4 -","4","1","LH4010","Rodrigues, Vinola Z.; Suchetan, P. A.; Saritha, L.; Lokanath, N. K.; Naveen, S.","4-Bromo-<i>N</i>-(4-fluorophenyl)benzenesulfonamide","IUCrData","2016","1","8","x161256","","10.1107/S2414314616012566","","","1.54178","CuKα","","0.0346","0.0334","","","0.0823","0.0833","","","","","","1.034","","","","has coordinates,has Fobs","185717","2020-10-21","18:00:00",""
"1543876","9.743","0.0005","8.6535","0.0003","12.3173","0.0006","90","","111.67","0.004","90","","965.09","0.08","170","2","170","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Bis[dihydrobis(pyrazol-1-yl-κ<i>N</i>^2^)borato]bis(methanol-κ<i>O</i>)iron(II)","","- C14 H24 B2 Fe N8 O2 -","- C14 H24 B2 Fe N8 O2 -","- C28 H48 B4 Fe2 N16 O4 -","2","0.5","BT4021","Ossinger, Sascha; Näther, Christian; Tuczek, Felix","Bis[dihydrobis(pyrazol-1-yl-κN2)borato]bis(methanol-κO)iron(II)","IUCrData","2016","1","8","","","10.1107/S2414314616012529","","","0.71073","MoKα","","0.0385","0.0339","","","0.0867","0.0892","","","","","","1.072","","","","has coordinates,has Fobs","185718","2020-10-21","18:00:00",""
"1543877","8.4549","0.0006","14.7691","0.001","16.3607","0.0009","90","","90","","90","","2043","0.2","297","1","297","1","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","(-)-Sparteinium tetrachloridozincate monohydrate","(-)-7,15-Diazatetracyclo[7.7.1.0^2,7^.0^10,15^]heptadecane-7,15-diium tetrachloridozincate monohydrate","","- C15 H30 Cl4 N2 O Zn -","- C15 H30 Cl4 N2 O Zn -","- C60 H120 Cl16 N8 O4 Zn4 -","4","1","WM4021","Bernès, Sylvain; Gutiérrez, René; Hernández-Téllez, Guadalupe; Moreno, Gloria E.","({-})-Sparteinium tetrachloridozincate monohydrate","IUCrData","2016","1","8","x161237","","10.1107/S2414314616012372","","","0.71073","MoKα","","0.0304","0.0265","","","0.0659","0.0679","","","","","","1.05","","","","has coordinates,has Fobs","185719","2020-10-21","18:00:00",""
"1543878","27.3649","0.0009","9.496","0.0003","10.0932","0.0003","90","","97.371","0.003","90","","2601.12","0.14","100","0.1","100","0.1","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","<i>N</i>-(Pyrazin-2-yl)adamantane-1-carboxamide","","- C15 H19 N3 O -","- C15 H19 N3 O -","- C120 H152 N24 O8 -","8","1","BT4022","Dziuk, Błażej; Ośmiałowski, Borys; Ejsmont, Krzysztof; Zarychta, Bartosz","<i>N</i>-(Pyrazin-2-yl)adamantane-1-carboxamide","IUCrData","2016","1","8","x161258","","10.1107/S241431461601258X","","","0.71073","MoKα","","0.0399","0.0318","","","0.0803","0.0821","","","","","","1.057","","","","has coordinates,has Fobs","185720","2020-10-21","18:00:00",""
"1543881","58.539","0.004","34.472","0.002","41.488","0.003","90","","91.2322","0.0009","90","","83702","10","293","2","293.15","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C240 H312 Ag4 Au32 S24 -","- C240 H310 Ag4 Au32 S24 -","- C2880 H3720 Ag48 Au384 S288 -","12","1.5","","Fan, Jiqiang; Song, Yongbo; Chai, Jinsong; Yang, Sha; Chen, Tao; Rao, Bo; Yu, Haizhu; Zhu, Manzhou","The solely motif-doped Au36-xAgx(SPh-tBu)24 (x = 1-8) nanoclusters: X-ray crystal structure and optical properties.","Nanoscale","2016","8","33","15317","15322","10.1039/c6nr04255d","","","0.71073","MoKα","","0.1859","0.0828","","","0.2137","0.2441","","","","","","1.093","","","","has coordinates,has disorder","187157","2020-10-21","18:00:00",""
"1543883","10.0936","0.0006","10.3894","0.0006","12.0481","0.0007","90","","90","","90","","1263.44","0.13","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C14 H9 N O4 S -","- C14 H9 N O4 S -","- C56 H36 N4 O16 S4 -","4","1","","Liu, Chengwei; Meng, Guangrong; Liu, Yongmei; Liu, Ruzhang; Lalancette, Roger; Szostak, Roman; Szostak, Michal","N-Acylsaccharins: Stable Electrophilic Amide-Based Acyl Transfer Reagents in Pd-Catalyzed Suzuki‒Miyaura Coupling via N‒C Cleavage","Organic Letters","2016","","","","","10.1021/acs.orglett.6b01836","","","1.54178","CuKα","","0.0225","0.0223","","","0.0578","0.0579","","","","","","1.091","","","","has coordinates","185757","2020-10-21","18:00:00",""
"1543884","7.5362","0.0002","15.1084","0.0004","14.5384","0.0004","90","","90","","90","","1655.34","0.08","102","2","102","2","","","","","","","","4","P b c n","-P 2n 2ab","60","Tetra[dimethyloxyboryl]methane","Octamethyl methanetetrayltetraboronate","","- C9 H24 B4 O8 -","- C9 H24 B4 O8 -","- C36 H96 B16 O32 -","4","0.5","RZ4004","Liu, Sumeng; Girolami, Gregory S.","Tetrakis(dimethoxyboryl)methane","IUCrData","2016","1","8","x161264","","10.1107/S2414314616012645","","","1.54178","CuKα","","0.0397","0.037","","","0.0978","0.0998","","","","","","1.07","","","","has coordinates,has disorder,has Fobs","185788","2020-10-21","18:00:00",""
"1543885","4.7764","0.001","11.75","0.003","13.067","0.003","109.917","0.01","99.766","0.011","101.71","0.01","652","0.3","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","(<i>Z</i>)-3-Allyl-5-(4-fluorobenzylidene)-2-sulfanylidenethiazolidin-4-one","","- C13 H10 F N O S2 -","- C13 H10 F N O S2 -","- C26 H20 F2 N2 O2 S4 -","2","1","BT4020","El Ajlaoui, Rahhal; Belkhouya, Najat; Rakib, El Mostapha; Mojahidi, Souad; Saadi, Mohamed; El Ammari, Lahcen","(<i>Z</i>)-3-Allyl-5-(4-fluorobenzylidene)-2-sulfanylidenethiazolidin-4-one","IUCrData","2016","1","8","x161236","","10.1107/S2414314616012360","","","0.71073","MoKα","","0.0733","0.0496","","","0.1262","0.1475","","","","","","1.066","","","","has coordinates,has Fobs","185789","2020-10-21","18:00:00",""
"1543886","12.5891","0.0004","7.7739","0.0002","14.124","0.0004","90","","100.466","0.001","90","","1359.27","0.07","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","5-(2-Hydroxy-5-methoxybenzoyl)-1-methyl-3-nitropyridin-2(1<i>H</i>)-one","","- C14 H12 N2 O6 -","- C14 H12 N2 O6 -","- C56 H48 N8 O24 -","4","1","","Bargavi, Srinivasan; Nataraj, Poomathi; Perumal, Paramasivam T.; Lakshmi, Srinivasakannan","5-(2-Hydroxy-5-methoxybenzoyl)-1-methyl-3-nitropyridin-2(1<i>H</i>)-one","IUCrData","2016","1","8","x161235","","10.1107/S2414314616012359","","","0.71073","MoKα","","0.0483","0.0409","","","0.11","0.1158","","","","","","1.072","","","","has coordinates,has disorder,has Fobs","185790","2020-10-21","18:00:00",""
"1543887","17.5105","0.0015","7.7068","0.0007","10.6885","0.0013","90","","107.553","0.001","90","","1375.3","0.2","298","2","298","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","1,1'-Biphenyl-2,2',5,5'-tetracarboxylic acid","","- C16 H10 O8 -","- C16 H10 O8 -","- C64 H40 O32 -","4","0.5","ZL4011","Li, Yan-Hong; Lu, Li-Ping","1,1'-Biphenyl-2,2',5,5'-tetracarboxylic acid","IUCrData","2016","1","8","x161274","","10.1107/S2414314616012748","","","0.71073","MoKα","","0.047","0.0353","","","0.09","0.0986","","","","","","1.037","","","","has coordinates,has Fobs","185791","2020-10-21","18:00:00",""
"1543888","9.3289","0.001","9.9031","0.001","9.8984","0.0012","90","","97.221","0.011","90","","907.21","0.17","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","<i>N</i>-{(<i>Z</i>)-3-Oxo-3-[(<i>E</i>)-(pyridin-2-ylmethyl)diazenyl]-1-(thiophen-2-yl)prop-1-en-2-yl}benzamide","","- C20 H16 N4 O2 S -","- C20 H16 N4 O2 S -","- C40 H32 N8 O4 S2 -","2","1","","Sharma, Devinder K.; Subbulakshmi, K. N.; Narayana, B.; Sarojini, B. K.; Anthal, Sumati; Kant, Rajni","<i>N</i>-{(<i>Z</i>)-3-Oxo-3-[(<i>E</i>)-(pyridin-2-ylmethyl)diazenyl]-1-(thiophen-2-yl)prop-1-en-2-yl}benzamide","IUCrData","2016","1","8","x161276","","10.1107/S2414314616012761","","","0.71073","MoKα","","0.0773","0.0544","","","0.117","0.1366","","","","","","0.984","","","","has coordinates,has Fobs","185792","2020-10-21","18:00:00",""
"1543889","5.263","0.003","9.782","0.005","12.795","0.006","78.591","0.009","80.188","0.007","74.418","0.01","617.2","0.6","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","4-Chloro-<i>N</i>-(isoquinolin-3-yl)butanamide","","- C13 H13 Cl N2 O -","- C13 H13 Cl N2 O -","- C26 H26 Cl2 N4 O2 -","2","1","BT4019","Loganathan, C.; Ananad, S. Athavan Alias; Alphonsa, A. Therasa; Kabilan, S.; Selvanayagam, S.","4-Chloro-<i>N</i>-(isoquinolin-3-yl)butanamide","IUCrData","2016","1","8","x161290","","10.1107/S2414314616012906","","","0.71073","MoKα","","0.1134","0.0688","","","0.1786","0.2273","","","","","","1.011","","","","has coordinates,has Fobs","185793","2020-10-21","18:00:00",""
"1543890","7.9359","0.0003","9.6283","0.0004","9.6807","0.0005","88.01","0.003","74.936","0.002","81.561","0.002","706.54","0.05","295","2","295","2","","","","","","","","4","P -1","-P 1","2","","2-Amino-4-methylpyridinium 2-(4-nitrophenyl)acetate","","- C14 H15 N3 O4 -","- C14 H15 N3 O4 -","- C28 H30 N6 O8 -","2","1","HB4061","Sivakumar, P.; Sudhahar, S.; Israel, S.; Chakkaravarthi, G.","2-Amino-4-methylpyridinium 2-(4-nitrophenyl)acetate","IUCrData","2016","1","8","x161203","","10.1107/S2414314616012037","","","0.71073","MoKα","","0.0924","0.0524","","","0.1209","0.144","","","","","","1.029","","","","has coordinates,has Fobs","185794","2020-10-21","18:00:00",""
"1543897","9.539","0.005","5.738","0.003","29.193","0.015","90","","98.613","0.017","90","","1579.9","1.4","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C34 H18 F14 N2 -","- C34 H18 F14 N2 -","- C68 H36 F28 N4 -","2","0.5","","Godman, N. P.; Barbee, D. B.; Carty, F. B.; McMillen, C. D.; Corley, C. A.; Shurdha, E.; Iacono, S. T.","Synthesis, characterization, and electrochemical properties of new highly processable, hole-transporting fluorocyclic aryl amine polymers","Polym. Chem.","2016","7","37","5799","","10.1039/C6PY00966B","","","0.71073","MoKα","","0.0868","0.0657","","","0.1289","0.1456","","","","","","1.081","","","","has coordinates,has disorder","187206","2020-10-21","18:00:00",""
"1543898","5.0868","0.001","11.793","0.002","30.515","0.006","90","","90","","90","","1830.6","0.6","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C18 H17 Cl N2 O5 -","- C18 H17 Cl N2 O5 -","- C72 H68 Cl4 N8 O20 -","4","1","","Xie, Ming-Sheng; Zhou, Peng; Niu, Hong-Ying; Qu, Gui-Rong; Guo, Hai-Ming","Enantioselective Intermolecular Cyclopropanations for the Synthesis of Chiral Pyrimidine Carbocyclic Nucleosides","Organic Letters","2016","","","","","10.1021/acs.orglett.6b02104","","","0.71073","MoKα","","0.1122","0.067","","","0.173","0.2146","","","","","","1.11","","","","has coordinates","185835","2020-10-21","18:00:00",""
"1543899","6.0287","0.0001","6.0287","0.0001","7.7803","0.0002","90","","90","","90","","282.777","0.01","293","2","293","2","","","","","","","","3","I 41/a m d :2","-I 4bd 2","141","","","","- Cr2 Cu O4 -","- Cr2 Cu O4 -","- Cr8 Cu4 O16 -","4","0.125","","Tarantino, Serena C.; Giannini, Mattia; Carpenter, Michael A.; Zema, Michele","Cooperative Jahn‒Teller effect and the role of strain in the tetragonal-to-cubic phase transition in Mg<i>~x~</i>Cu~1{ηskip0.16667em~{-}{ηskip0.16667em}<i>x</i>}Cr~2~O~4~","IUCrJ","2016","3","5","","","10.1107/S2052252516012574","","","0.71073","MoKα","","0.0291","0.025","","","0.064","0.0658","","","","","","1.087","","","","has coordinates","185841","2020-10-21","18:00:00",""
"1543900","8.3288","0.0001","8.3288","0.0001","8.3288","0.0001","90","","90","","90","","577.76","0.012","293","2","293","2","","","","","","","","3","F d -3 m :2","-F 4vw 2vw 3","227","","","","- Cr2 Mg O4 -","- Cr2 Mg O4 -","- Cr16 Mg8 O32 -","8","0.0416667","","Tarantino, Serena C.; Giannini, Mattia; Carpenter, Michael A.; Zema, Michele","Cooperative Jahn‒Teller effect and the role of strain in the tetragonal-to-cubic phase transition in Mg<i>~x~</i>Cu~1{ηskip0.16667em~{-}{ηskip0.16667em}<i>x</i>}Cr~2~O~4~","IUCrJ","2016","3","5","","","10.1107/S2052252516012574","","","0.71073","MoKα","","0.0176","0.0171","","","0.0469","0.047","","","","","","1.169","","","","has coordinates","185841","2020-10-21","18:00:00",""
"1543901","16.442","0.011","10.991","0.007","11.722","0.008","90","","108.611","0.007","90","","2008","2","173","","173","","","","","","","","","5","C 1 c 1","C -2yc","9","","Tris(4-methoxyphenyl)phosphine selenide","","- C21 H21 O3 P Se -","- C21 H21 O3 P Se -","- C84 H84 O12 P4 Se4 -","4","1","","Raymundo, Melina; Padgett, Clifford W.; Lynch, Will E.","Tris(4-methoxyphenyl)phosphine selenide","IUCrData","2016","1","8","x161271","","10.1107/S2414314616012712","","","0.71075","MoKα","","0.0384","0.0328","","","0.0608","0.0649","","","","","","0.915","","","","has coordinates,has Fobs","185843","2020-10-21","18:00:00",""
"1543902","10.4487","0.0008","16.8817","0.0013","17.3829","0.0014","90","","90","","90","","3066.2","0.4","100","","100","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(Biphenyl-2,2'-diyl)[1,3-bis(diphenylphosphanyl)propane-κ^2^<i>P</i>,<i>P</i>']platinum(II)","","- C39 H34 P2 Pt -","- C39 H34 P2 Pt -","- C156 H136 P8 Pt4 -","4","1","WM4022","Rillema, D. Paul; Moore, Curtis; Jehan, Ali","(Biphenyl-2,2'-diyl)[1,3-bis(diphenylphosphanyl)propane-κ^2^<i>P</i>,<i>P</i>']platinum(II)","IUCrData","2016","1","8","x161277","","10.1107/S2414314616012773","","","0.71073","MoKα","","0.0172","0.0162","","","0.0346","0.0349","","","","","","1.039","","","","has coordinates,has Fobs","185844","2020-10-21","18:00:00",""
"1543903","4.2926","0.0004","17.7983","0.0013","14.8522","0.0013","90","","94.757","0.004","90","","1130.81","0.17","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(<i>E</i>)-3-(2,5-Difluorophenyl)-1-phenylprop-2-en-1-one","","- C15 H10 F2 O -","- C15 H10 F2 O -","- C60 H40 F8 O4 -","4","1","SU4068","Santos de Barros, Leonardo; Ramalho Freitas, Maria Clara; Rangel Campos, Vinícius; Assis da Silva, Francisco; Netto-Ferreira, José Carlos; Cesarin-Sobrinho, Darí","(<i>E</i>)-3-(2,5-Difluorophenyl)-1-phenylprop-2-en-1-one","IUCrData","2016","1","8","x161295","","10.1107/S2414314616012955","","","0.71073","MoKα","","0.0677","0.048","","","0.1224","0.1361","","","","","","1.066","","","","has coordinates,has Fobs","185845","2020-10-21","18:00:00",""
"1543904","4.9685","0.0001","18.8795","0.0005","8.2913","0.0002","90","","91.448","0.002","90","","777.5","0.03","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","(2-Amino-thiazol-4-yl)-aceticacidhydrazide","2-(2-Amino-1,3-thiazol-4-yl)acetohydrazide","","- C5 H8 N4 O S -","- C5 H8 N4 O S -","- C20 H32 N16 O4 S4 -","4","1","HB4068","Pallavi, G. B.; Gowda, Ramakrishna; Gowda, K. V. Arjuna; Basanagouda, Mahantesha; Latha, A. L.","2-(2-Amino-1,3-thiazol-4-yl)acetohydrazide","IUCrData","2016","1","8","x161273","","10.1107/S2414314616012736","","","0.71073","MoKα","","0.0322","0.0299","","","0.0769","0.0788","","","","","","1.0937","","","","has coordinates,has Fobs","185846","2020-10-21","18:00:00",""
"1543905","18.3767","0.0016","8.6094","0.0007","31.158","0.003","90","","100.972","0.005","90","","4839.5","0.7","100","","99.95","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","tetrabutylammonium cobalt bis-dmit","","- C38 H72 Co N2 S10 -","- C38 H72 Co N2 S10 -","- C152 H288 Co4 N8 S40 -","4","0.5","","Fataftah, Majed S.; Coste, Scott C.; Vlaisavljevich, Bess; Zadrozny, Joseph M.; Freedman, Danna E.","Transformation of the coordination complex [Co(C3S5)2]2−from a molecular magnet to a potential qubit","Chem. Sci.","2016","7","9","6160","","10.1039/C6SC02170K","","x-ray","0.71073","MoKα","","0.0941","0.0586","","","0.0971","0.1069","","","","","","1.119","","","","has coordinates","185847","2020-10-21","18:00:00",""
"1543906","9.6545","0.0004","20.7093","0.001","35.6868","0.0014","90","","90.969","0.003","90","","7134.1","0.5","100","2","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","[bis(triphenylphosphine)iminium]2[Co(dmit)2]","","- C78 H60 Co N2 P4 S10 -","- C78 H60 Co N2 P4 S10 -","- C312 H240 Co4 N8 P16 S40 -","4","1","","Fataftah, Majed S.; Coste, Scott C.; Vlaisavljevich, Bess; Zadrozny, Joseph M.; Freedman, Danna E.","Transformation of the coordination complex [Co(C3S5)2]2−from a molecular magnet to a potential qubit","Chem. Sci.","2016","7","9","6160","","10.1039/C6SC02170K","","","1.54178","CuKα","","0.0656","0.0454","","","0.1041","0.118","","","","","","1.053","","","","has coordinates","214153","2020-10-21","18:00:00",""
"1543907","9.8761","0.0016","17.519","0.003","37.155","0.006","90","","92.211","0.005","90","","6423.7","1.8","100","2","99.88","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","[(18-crown-6)K]2[Co(dmit)2]","","- C46 H80 Co K2 O16 S10 -","- C46 H79 Co K2 O16 S10 -","- C184 H316 Co4 K8 O64 S40 -","4","1","","Fataftah, Majed S.; Coste, Scott C.; Vlaisavljevich, Bess; Zadrozny, Joseph M.; Freedman, Danna E.","Transformation of the coordination complex [Co(C3S5)2]2−from a molecular magnet to a potential qubit","Chem. Sci.","2016","7","9","6160","","10.1039/C6SC02170K","","","0.71073","MoKα","","0.1324","0.0888","","","0.2647","0.3075","","","","","","1.098","","","","has coordinates","214153","2020-10-21","18:00:00",""
"1543916","8.4921","0.0001","8.4921","0.0001","4.1922","0.0001","90","","90","","120","","261.82","0.008","","","","","","","","","","","","3","P 6/m m m","-P 6 2","191","","","","- Ca2 Ge3 Pd -","- Ca2 Ge3 Pd -","- Ca4 Ge6 Pd2 -","2","0.0833333","","Klimczuk, T.; Xie, Weiwei; Winiarski, M.J.; Koziol, R.; Litzbarski, L.S.; Luo, Huixia; Cava, R.J.","Crystal structure and physical properties of new Ca2TGe3 (T = Pd and Pt) germanides","Journal of Solid State Chemistry","2016","243","","95","100","10.1016/j.jssc.2016.07.029","","","","","","0.0693","","","","","","","","","","","","","","","has coordinates","185881","2020-10-21","18:00:00",""
"1543917","8.452","0.0001","8.452","0.0001","4.2188","0.0001","90","","90","","120","","260.999","0.008","","","","","","","","","","","","3","P 6/m m m","-P 6 2","191","","","","- Ca2 Ge3 Pt -","- Ca2 Ge3 Pt -","- Ca4 Ge6 Pt2 -","2","0.0833333","","Klimczuk, T.; Xie, Weiwei; Winiarski, M.J.; Koziol, R.; Litzbarski, L.S.; Luo, Huixia; Cava, R.J.","Crystal structure and physical properties of new Ca2TGe3 (T = Pd and Pt) germanides","Journal of Solid State Chemistry","2016","243","","95","100","10.1016/j.jssc.2016.07.029","","","","","","0.118","","","","","","","","","","","","","","","has coordinates","185882","2020-10-21","18:00:00",""
"1543918","25.058","0.005","14.038","0.003","18.102","0.004","90","","97.313","0.003","90","","6316","2","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","tris(3,5-diisopropyl-1,2,4-triazolato-N,N)-tri-gold(I)","","- C24 H42 Au3 N9 -","- C24 H42 Au3 N9 -","- C192 H336 Au24 N72 -","8","1","","Woodall, Christopher H.; Christensen, Jeppe; Skelton, Jonathan M.; Hatcher, Lauren E.; Parlett, Andrew; Raithby, Paul R.; Walsh, Aron; Parker, Stephen C.; Beavers, Christine M.; Teat, Simon J.; Intissar, Mourad; Reber, Christian; Allan, David R.","Observation of a re-entrant phase transition in the molecular complex tris(μ~2~-3,5-diisopropyl-1,2,4-triazolato-κ^2^<i>N</i>^1^:<i>N</i>^2^)trigold(I) under high pressure","IUCrJ","2016","3","5","","","10.1107/S2052252516013129","","","0.6701","synchrotron","","0.0577","0.0392","","","0.1088","0.1215","","","","","","1.049","","","","has coordinates,has disorder","185884","2020-10-21","18:00:00",""
"1543919","24.7872","0.0011","13.8653","0.0008","17.7857","0.0013","90","","97.493","0.004","90","","6060.4","0.6","293","0.14","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","tris(3,5-diisopropyl-1,2,4-triazolato-N,N)-tri-gold(I)","","- C24 H42 Au3 N9 -","- C24 H42 Au3 N9 -","- C192 H336 Au24 N72 -","8","1","","Woodall, Christopher H.; Christensen, Jeppe; Skelton, Jonathan M.; Hatcher, Lauren E.; Parlett, Andrew; Raithby, Paul R.; Walsh, Aron; Parker, Stephen C.; Beavers, Christine M.; Teat, Simon J.; Intissar, Mourad; Reber, Christian; Allan, David R.","Observation of a re-entrant phase transition in the molecular complex tris(μ~2~-3,5-diisopropyl-1,2,4-triazolato-κ^2^<i>N</i>^1^:<i>N</i>^2^)trigold(I) under high pressure","IUCrJ","2016","3","5","","","10.1107/S2052252516013129","","","0.6701","synchrotron","","0.0741","0.0557","","","0.194","0.2302","","","","","","1.117","","","","has coordinates","185884","2020-10-21","18:00:00",""
"1543920","24.641","0.004","13.7018","0.0006","17.5317","0.0009","90","","97.572","0.008","90","","5867.5","1","293","0.14","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","tris(3,5-diisopropyl-1,2,4-triazolato-N,N)-tri-gold(I)","","- C24 H42 Au3 N9 -","- C24 H42 Au3 N9 -","- C192 H336 Au24 N72 -","8","1","","Woodall, Christopher H.; Christensen, Jeppe; Skelton, Jonathan M.; Hatcher, Lauren E.; Parlett, Andrew; Raithby, Paul R.; Walsh, Aron; Parker, Stephen C.; Beavers, Christine M.; Teat, Simon J.; Intissar, Mourad; Reber, Christian; Allan, David R.","Observation of a re-entrant phase transition in the molecular complex tris(μ~2~-3,5-diisopropyl-1,2,4-triazolato-κ^2^<i>N</i>^1^:<i>N</i>^2^)trigold(I) under high pressure","IUCrJ","2016","3","5","","","10.1107/S2052252516013129","","","0.6701","synchrotron","","0.0758","0.0549","","","0.1573","0.1891","","","","","","1.149","","","","has coordinates","185884","2020-10-21","18:00:00",""
"1543921","24.29","0.005","13.584","0.003","17.379","0.004","90","","98.51","0.03","90","","5671","2","293","0.14","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","tris(3,5-diisopropyl-1,2,4-triazolato-N,N)-tri-gold(I)","","- C24 H42 Au3 N9 -","- C24 H42 Au3 N9 -","- C192 H336 Au24 N72 -","8","1","","Woodall, Christopher H.; Christensen, Jeppe; Skelton, Jonathan M.; Hatcher, Lauren E.; Parlett, Andrew; Raithby, Paul R.; Walsh, Aron; Parker, Stephen C.; Beavers, Christine M.; Teat, Simon J.; Intissar, Mourad; Reber, Christian; Allan, David R.","Observation of a re-entrant phase transition in the molecular complex tris(μ~2~-3,5-diisopropyl-1,2,4-triazolato-κ^2^<i>N</i>^1^:<i>N</i>^2^)trigold(I) under high pressure","IUCrJ","2016","3","5","","","10.1107/S2052252516013129","","","0.6701","synchrotron","","0.0712","0.0466","","","0.1342","0.1748","","","","","","1.187","","","","has coordinates","185884","2020-10-21","18:00:00",""
"1543922","24.215","0.005","13.516","0.003","17.266","0.004","90","","98.7","0.03","90","","5586","2","293","0.14","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","tris(3,5-diisopropyl-1,2,4-triazolato-N,N)-tri-gold(I)","","- C24 H42 Au3 N9 -","- C24 H42 Au3 N9 -","- C192 H336 Au24 N72 -","8","1","","Woodall, Christopher H.; Christensen, Jeppe; Skelton, Jonathan M.; Hatcher, Lauren E.; Parlett, Andrew; Raithby, Paul R.; Walsh, Aron; Parker, Stephen C.; Beavers, Christine M.; Teat, Simon J.; Intissar, Mourad; Reber, Christian; Allan, David R.","Observation of a re-entrant phase transition in the molecular complex tris(μ~2~-3,5-diisopropyl-1,2,4-triazolato-κ^2^<i>N</i>^1^:<i>N</i>^2^)trigold(I) under high pressure","IUCrJ","2016","3","5","","","10.1107/S2052252516013129","","","0.6701","synchrotron","","0.0484","0.0408","","","0.126","0.1336","","","","","","1.097","","","","has coordinates","185884","2020-10-21","18:00:00",""
"1543923","23.765","0.005","13.396","0.003","16.789","0.003","90","","99.58","0.03","90","","5270.3","1.9","293","0.14","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","tris(3,5-diisopropyl-1,2,4-triazolato-N,N)-tri-gold(I)","","- C24 H42 Au3 N9 -","- C24 H42 Au3 N9 -","- C192 H336 Au24 N72 -","8","2","","Woodall, Christopher H.; Christensen, Jeppe; Skelton, Jonathan M.; Hatcher, Lauren E.; Parlett, Andrew; Raithby, Paul R.; Walsh, Aron; Parker, Stephen C.; Beavers, Christine M.; Teat, Simon J.; Intissar, Mourad; Reber, Christian; Allan, David R.","Observation of a re-entrant phase transition in the molecular complex tris(μ~2~-3,5-diisopropyl-1,2,4-triazolato-κ^2^<i>N</i>^1^:<i>N</i>^2^)trigold(I) under high pressure","IUCrJ","2016","3","5","","","10.1107/S2052252516013129","","","0.6701","synchrotron","","0.083","0.0564","","","0.165","0.2026","","","","","","1.107","","","","has coordinates","185884","2020-10-21","18:00:00",""
"1543924","26.529","0.005","13.396","0.003","31.094","0.006","90","","110.11","0.03","90","","10377","4","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","tris(3,5-diisopropyl-1,2,4-triazolato-N,N)-tri-gold(I)","","- C24 H42 Au3 N9 -","- C24 H41.75 Au3 N9 -","- C384 H668 Au48 N144 -","16","4","","Woodall, Christopher H.; Christensen, Jeppe; Skelton, Jonathan M.; Hatcher, Lauren E.; Parlett, Andrew; Raithby, Paul R.; Walsh, Aron; Parker, Stephen C.; Beavers, Christine M.; Teat, Simon J.; Intissar, Mourad; Reber, Christian; Allan, David R.","Observation of a re-entrant phase transition in the molecular complex tris(μ~2~-3,5-diisopropyl-1,2,4-triazolato-κ^2^<i>N</i>^1^:<i>N</i>^2^)trigold(I) under high pressure","IUCrJ","2016","3","5","","","10.1107/S2052252516013129","","","0.6701","synchrotron","","0.1853","0.132","","","0.2568","0.2903","","","","","","1.098","","","","has coordinates","185884","2020-10-21","18:00:00",""
"1543925","37.163","0.007","13.417","0.003","30.421","0.006","90","","88.48","0.03","90","","15163","5","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","tris(3,5-diisopropyl-1,2,4-triazolato-N,N)-tri-gold(I)","","- C24 H42 Au3 N9 -","- C24 H42 Au3 N9 -","- C576 H1008 Au72 N216 -","24","3","","Woodall, Christopher H.; Christensen, Jeppe; Skelton, Jonathan M.; Hatcher, Lauren E.; Parlett, Andrew; Raithby, Paul R.; Walsh, Aron; Parker, Stephen C.; Beavers, Christine M.; Teat, Simon J.; Intissar, Mourad; Reber, Christian; Allan, David R.","Observation of a re-entrant phase transition in the molecular complex tris(μ~2~-3,5-diisopropyl-1,2,4-triazolato-κ^2^<i>N</i>^1^:<i>N</i>^2^)trigold(I) under high pressure","IUCrJ","2016","3","5","","","10.1107/S2052252516013129","","","0.6701","synchrotron","","0.072","0.0495","","","0.1434","0.1723","","","","","","1.055","","","","has coordinates","185884","2020-10-21","18:00:00",""
"1543926","23.3975","0.0014","13.301","0.0011","16.1373","0.0015","90","","99.901","0.006","90","","4947.3","0.7","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","tris(3,5-diisopropyl-1,2,4-triazolato-N,N)-tri-gold(I)","","- C48 H83 Au6 N18 -","- C48 H83 Au6 N18 -","- C192 H332 Au24 N72 -","4","1","","Woodall, Christopher H.; Christensen, Jeppe; Skelton, Jonathan M.; Hatcher, Lauren E.; Parlett, Andrew; Raithby, Paul R.; Walsh, Aron; Parker, Stephen C.; Beavers, Christine M.; Teat, Simon J.; Intissar, Mourad; Reber, Christian; Allan, David R.","Observation of a re-entrant phase transition in the molecular complex tris(μ~2~-3,5-diisopropyl-1,2,4-triazolato-κ^2^<i>N</i>^1^:<i>N</i>^2^)trigold(I) under high pressure","IUCrJ","2016","3","5","","","10.1107/S2052252516013129","","","0.6701","synchrotron","","0.1036","0.0693","","","0.194","0.2246","","","","","","1.349","","","","has coordinates","185884","2020-10-21","18:00:00",""
"1543927","24.316","0.004","14.341","0.002","20.951","0.005","90","","121.105","0.002","90","","6256","2","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","tris(3,5-diisopropyl-1,2,4-triazolato-N,N)-tri-gold(I)","","- C24 H42 Au3 N9 -","- C24 H42 Au3 N9 -","- C192 H336 Au24 N72 -","8","1","","Woodall, Christopher H.; Christensen, Jeppe; Skelton, Jonathan M.; Hatcher, Lauren E.; Parlett, Andrew; Raithby, Paul R.; Walsh, Aron; Parker, Stephen C.; Beavers, Christine M.; Teat, Simon J.; Intissar, Mourad; Reber, Christian; Allan, David R.","Observation of a re-entrant phase transition in the molecular complex tris(μ~2~-3,5-diisopropyl-1,2,4-triazolato-κ^2^<i>N</i>^1^:<i>N</i>^2^)trigold(I) under high pressure","IUCrJ","2016","3","5","","","10.1107/S2052252516013129","","","0.6701","synchrotron","","0.0438","0.0346","","","0.0895","0.0949","","","","","","1.033","","","","has coordinates","185884","2020-10-21","18:00:00",""
"1543928","23.7794","0.0013","14.0552","0.0006","20.087","0.002","90","","121.333","0.01","90","","5734.5","0.9","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","tris(3,5-diisopropyl-1,2,4-triazolato-N,N)-tri-gold(I)","","- C24 H42 Au3 N9 -","- C24 H42 Au3 N9 -","- C192 H336 Au24 N72 -","8","1","","Woodall, Christopher H.; Christensen, Jeppe; Skelton, Jonathan M.; Hatcher, Lauren E.; Parlett, Andrew; Raithby, Paul R.; Walsh, Aron; Parker, Stephen C.; Beavers, Christine M.; Teat, Simon J.; Intissar, Mourad; Reber, Christian; Allan, David R.","Observation of a re-entrant phase transition in the molecular complex tris(μ~2~-3,5-diisopropyl-1,2,4-triazolato-κ^2^<i>N</i>^1^:<i>N</i>^2^)trigold(I) under high pressure","IUCrJ","2016","3","5","","","10.1107/S2052252516013129","","","0.6889","synchrotron","","0.0744","0.0481","","","0.1248","0.1542","","","","","","1.156","","","","has coordinates","185884","2020-10-21","18:00:00",""
"1543929","23.6575","0.0013","13.9552","0.0006","19.838","0.004","90","","121.445","0.006","90","","5587.6","1.2","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","tris(3,5-diisopropyl-1,2,4-triazolato-N,N)-tri-gold(I)","","- C24 H42 Au3 N9 -","- C24 H42 Au3 N9 -","- C192 H336 Au24 N72 -","8","1","","Woodall, Christopher H.; Christensen, Jeppe; Skelton, Jonathan M.; Hatcher, Lauren E.; Parlett, Andrew; Raithby, Paul R.; Walsh, Aron; Parker, Stephen C.; Beavers, Christine M.; Teat, Simon J.; Intissar, Mourad; Reber, Christian; Allan, David R.","Observation of a re-entrant phase transition in the molecular complex tris(μ~2~-3,5-diisopropyl-1,2,4-triazolato-κ^2^<i>N</i>^1^:<i>N</i>^2^)trigold(I) under high pressure","IUCrJ","2016","3","5","","","10.1107/S2052252516013129","","","0.6889","synchrotron","","0.0622","0.0383","","","0.1004","0.1204","","","","","","1.052","","","","has coordinates","185884","2020-10-21","18:00:00",""
"1543930","23.5723","0.0013","13.8758","0.0006","19.647","0.004","90","","121.589","0.006","90","","5474","1.2","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","tris(3,5-diisopropyl-1,2,4-triazolato-N,N)-tri-gold(I)","","- C24 H42 Au3 N9 -","- C24 H42 Au3 N9 -","- C192 H336 Au24 N72 -","8","1","","Woodall, Christopher H.; Christensen, Jeppe; Skelton, Jonathan M.; Hatcher, Lauren E.; Parlett, Andrew; Raithby, Paul R.; Walsh, Aron; Parker, Stephen C.; Beavers, Christine M.; Teat, Simon J.; Intissar, Mourad; Reber, Christian; Allan, David R.","Observation of a re-entrant phase transition in the molecular complex tris(μ~2~-3,5-diisopropyl-1,2,4-triazolato-κ^2^<i>N</i>^1^:<i>N</i>^2^)trigold(I) under high pressure","IUCrJ","2016","3","5","","","10.1107/S2052252516013129","","","0.6889","synchrotron","","0.0652","0.0432","","","0.1146","0.1362","","","","","","0.943","","","","has coordinates","185884","2020-10-21","18:00:00",""
"1543931","23.4383","0.0014","13.7533","0.0006","19.341","0.004","90","","121.812","0.006","90","","5298.1","1.2","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","tris(3,5-diisopropyl-1,2,4-triazolato-N,N)-tri-gold(I)","","- C24 H42 Au3 N9 -","- C24 H42 Au3 N9 -","- C192 H336 Au24 N72 -","8","1","","Woodall, Christopher H.; Christensen, Jeppe; Skelton, Jonathan M.; Hatcher, Lauren E.; Parlett, Andrew; Raithby, Paul R.; Walsh, Aron; Parker, Stephen C.; Beavers, Christine M.; Teat, Simon J.; Intissar, Mourad; Reber, Christian; Allan, David R.","Observation of a re-entrant phase transition in the molecular complex tris(μ~2~-3,5-diisopropyl-1,2,4-triazolato-κ^2^<i>N</i>^1^:<i>N</i>^2^)trigold(I) under high pressure","IUCrJ","2016","3","5","","","10.1107/S2052252516013129","","","0.6889","synchrotron","","0.073","0.0519","","","0.1354","0.154","","","","","","1.036","","","","has coordinates","185884","2020-10-21","18:00:00",""
"1543932","23.4449","0.0014","13.6963","0.0007","19.285","0.002","90","","121.92","0.01","90","","5256.2","0.9","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","tris(3,5-diisopropyl-1,2,4-triazolato-N,N)-tri-gold(I)","","- C24 H42 Au3 N9 -","- C24 H42 Au3 N9 -","- C192 H336 Au24 N72 -","8","1","","Woodall, Christopher H.; Christensen, Jeppe; Skelton, Jonathan M.; Hatcher, Lauren E.; Parlett, Andrew; Raithby, Paul R.; Walsh, Aron; Parker, Stephen C.; Beavers, Christine M.; Teat, Simon J.; Intissar, Mourad; Reber, Christian; Allan, David R.","Observation of a re-entrant phase transition in the molecular complex tris(μ~2~-3,5-diisopropyl-1,2,4-triazolato-κ^2^<i>N</i>^1^:<i>N</i>^2^)trigold(I) under high pressure","IUCrJ","2016","3","5","","","10.1107/S2052252516013129","","","0.6889","synchrotron","","0.1071","0.0672","","","0.1703","0.2299","","","","","","1.095","","","","has coordinates","185884","2020-10-21","18:00:00",""
"1543933","23.364","0.0012","13.6258","0.0007","19.112","0.002","90","","122.08","0.009","90","","5155.3","0.8","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","tris(3,5-diisopropyl-1,2,4-triazolato-N,N)-tri-gold(I)","","- C24 H42 Au3 N9 -","- C24 H42 Au3 N9 -","- C192 H336 Au24 N72 -","8","1","","Woodall, Christopher H.; Christensen, Jeppe; Skelton, Jonathan M.; Hatcher, Lauren E.; Parlett, Andrew; Raithby, Paul R.; Walsh, Aron; Parker, Stephen C.; Beavers, Christine M.; Teat, Simon J.; Intissar, Mourad; Reber, Christian; Allan, David R.","Observation of a re-entrant phase transition in the molecular complex tris(μ~2~-3,5-diisopropyl-1,2,4-triazolato-κ^2^<i>N</i>^1^:<i>N</i>^2^)trigold(I) under high pressure","IUCrJ","2016","3","5","","","10.1107/S2052252516013129","","","0.6889","synchrotron","","0.0783","0.054","","","0.1209","0.1405","","","","","","1.073","","","","has coordinates","185884","2020-10-21","18:00:00",""
"1543934","23.3195","0.001","13.5632","0.0007","18.951","0.003","90","","122.188","0.007","90","","5072.7","1","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","tris(3,5-diisopropyl-1,2,4-triazolato-N,N)-tri-gold(I)","","- C24 H42 Au3 N9 -","- C24 H42 Au3 N9 -","- C192 H336 Au24 N72 -","8","1","","Woodall, Christopher H.; Christensen, Jeppe; Skelton, Jonathan M.; Hatcher, Lauren E.; Parlett, Andrew; Raithby, Paul R.; Walsh, Aron; Parker, Stephen C.; Beavers, Christine M.; Teat, Simon J.; Intissar, Mourad; Reber, Christian; Allan, David R.","Observation of a re-entrant phase transition in the molecular complex tris(μ~2~-3,5-diisopropyl-1,2,4-triazolato-κ^2^<i>N</i>^1^:<i>N</i>^2^)trigold(I) under high pressure","IUCrJ","2016","3","5","","","10.1107/S2052252516013129","","","0.6889","synchrotron","","0.0996","0.0611","","","0.1463","0.2107","","","","","","1.133","","","","has coordinates","185884","2020-10-21","18:00:00",""
"1543935","9.4109","0.0007","11.7658","0.0008","15.5101","0.0007","77.188","0.005","80.638","0.005","67.2","0.007","1538.14","0.19","293","2","293.15","","","","","","","","","7","P -1","-P 1","2","","","","- C27 H33 Cl Cu F3 N5 O7 -","- C27 H33 Cl Cu F3 N5 O7 -","- C54 H66 Cl2 Cu2 F6 N10 O14 -","2","1","","Xiao, Ying; Xu, Kailin; Wang, Qing; Xiong, Xinnuo; Huang, Yanmei; Li, Hui","Synthesis, structure, and calf-thymus DNA binding of ternary fleroxacin–Cu( <scp>ii</scp> ) complexes","RSC Advances","2016","6","83","80286","80295","10.1039/C6RA18971G","","x-ray","0.71073","MoKα","","0.0503","0.0377","","","0.0887","0.0973","","","","","","1.041","","","","has coordinates","282777","2023-04-20","11:56:44",""
"1543936","4.737","0.002","17.24","0.007","16.17","0.007","90","","96.201","0.006","90","","1312.8","1","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C11 H11 Cl F3 N5 -","- C11 H11 Cl F3 N5 -","- C44 H44 Cl4 F12 N20 -","4","1","","Guo, Ran; Zheng, Yan; Ma, Jun-An","Electrophilic Reaction of 2,2,2-Trifluorodiazoethane with the in Situ Generated N-Heterocyclic Carbenes: Access to N-Aminoguanidines.","Organic letters","2016","18","17","4170","4173","10.1021/acs.orglett.6b01191","","","0.71073","MoKα","","0.1114","0.0503","","","0.1106","0.1398","","","","","","1.015","","","","has coordinates","187980","2020-10-21","18:00:00",""
"1543937","8.1397","0.0007","21.9119","0.0018","12.7475","0.0011","90","","95.889","0.002","90","","2261.6","0.3","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C23 H25 F3 N4 -","- C23 H25 F3 N4 -","- C92 H100 F12 N16 -","4","1","","Guo, Ran; Zheng, Yan; Ma, Jun-An","Electrophilic Reaction of 2,2,2-Trifluorodiazoethane with the in Situ Generated N-Heterocyclic Carbenes: Access to N-Aminoguanidines.","Organic letters","2016","18","17","4170","4173","10.1021/acs.orglett.6b01191","","","0.71073","MoKα","","0.1053","0.0565","","","0.1344","0.1626","","","","","","1.022","","","","has coordinates,has disorder","187980","2020-10-21","18:00:00",""
"1543938","9.6443","0.0014","11.0756","0.0015","28.466","0.004","90","","94.032","0.002","90","","3033.1","0.7","296","2","296","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C32 H27 F3 N6 O2 S -","- C32 H27 F3 N6 O2 S -","- C128 H108 F12 N24 O8 S4 -","4","2","","Guo, Ran; Zheng, Yan; Ma, Jun-An","Electrophilic Reaction of 2,2,2-Trifluorodiazoethane with the in Situ Generated N-Heterocyclic Carbenes: Access to N-Aminoguanidines.","Organic letters","2016","18","17","4170","4173","10.1021/acs.orglett.6b01191","","","0.71073","MoKα","","0.0608","0.0481","","","0.1234","0.1348","","","","","","1.033","","","","has coordinates","214153","2020-10-21","18:00:00",""
"1543939","6.027","0.003","8.625","0.005","20.271","0.012","80.818","0.012","84.718","0.013","80.883","0.013","1024.7","1","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C23 H29 F O2 -","- C23 H29 F O2 -","- C46 H58 F2 O4 -","2","1","","Dai, Wenpeng; Shi, Hongyan; Zhao, Xianghu; Cao, Song","Sterically Controlled Cu-Catalyzed or Transition-Metal-Free Cross-Coupling of gem-Difluoroalkenes with Tertiary, Secondary, and Primary Alkyl Grignard Reagents.","Organic letters","2016","18","17","4284","4287","10.1021/acs.orglett.6b02026","","","0.71073","MoKα","","0.1247","0.0904","","","0.1995","0.2227","","","","","","1.117","","","","has coordinates","187981","2020-10-21","18:00:00",""
"1543940","12.383","0.006","13.145","0.006","26.51","0.011","90","","90","","90","","4315","3","150","","150","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","Bis(triethylammonium) tetrabromidozincate","","- C12 H32 Br4 N2 Zn -","- C12 H32 Br4 N2 Zn -","- C96 H256 Br32 N16 Zn8 -","8","1","","Seck, Gorgui Awa; Sene, Aboubacary; Diop, Libasse; Schmidt, Horst","Bis(triethylammonium) tetrabromidozincate","IUCrData","2016","1","8","x161317","","10.1107/S2414314616013171","","","0.71073","MoKα","","0.0401","0.0238","","","0.0435","0.0453","","","","","","1.022","","","","has coordinates,has Fobs","185908","2020-10-21","18:00:00",""
"1543944","5.5852","0.0004","15.8761","0.0011","24.5341","0.0016","90","","90","","90","","2175.5","0.3","110","2","110","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C16 H11 Br Cl3 N2 O7 P -","- C16 H11 Br Cl3 N2 O7 P -","- C64 H44 Br4 Cl12 N8 O28 P4 -","4","1","","Ray Choudhury, Abhijnan; Mukherjee, Santanu","Enantioselective dearomatization of isoquinolines by anion-binding catalysis en route to cyclic α-aminophosphonates","Chem. Sci.","2016","","","","","10.1039/C6SC02466A","","","0.71073","MoKα","","0.0478","0.0377","","","0.0831","0.0868","","","","","","1.043","","","","has coordinates,has disorder","185910","2020-10-21","18:00:00",""
"1543962","9.73106","0.00013","10.22183","0.00014","19.6704","0.0002","90","","90","","90","","1956.6","0.04","279.66","0.1","279.66","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C17 H23 N4 O6 P -","- C17 H23 N4 O6 P -","- C68 H92 N16 O24 P4 -","4","1","","Chen, Jing; Wen, Xiaojing; Wang, Yan; Du, Fei; Cai, Liu; Peng, Yungui","Asymmetric Mannich Reaction of Isatin-Based Ketimines with α-Diazomethylphosphonates Catalyzed by Chiral Silver Phosphate.","Organic letters","2016","18","17","4336","4339","10.1021/acs.orglett.6b02095","","x-ray","1.54184","CuKα","","0.0648","0.0623","","","0.158","0.1605","","","","","","1.058","","","","has coordinates,has disorder","187982","2020-10-21","18:00:00",""
"1543963","6.9955","0.0012","14.118","0.002","12.822","0.002","90","","98.536","0.007","90","","1252.3","0.3","150","","150","","","","","","","","synthesis as described","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H11 N S -","- C18 H11 N S -","- C72 H44 N4 S4 -","4","1","","Hagui, Wided; Besbes, Néji; Srasra, Ezzeddine; Roisnel, Thierry; Soulé, Jean-François; Doucet, Henri","Short Synthesis of Sulfur Analogues of Polyaromatic Hydrocarbons through Three Palladium-Catalyzed C-H Bond Arylations.","Organic letters","2016","18","17","4182","4185","10.1021/acs.orglett.6b01735","","x-ray","0.71073","MoKα","","0.1092","0.061","","","0.119","0.1372","","","","","","0.995","","","","has coordinates","187983","2020-10-21","18:00:00",""
"1543975","10.2921","0.0001","12.3711","0.0001","26.3067","0.0002","90","","90","","90","","3349.49","0.05","150","2","150","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C35 H40.5 O15.25 -","- C35 H40.5 O15.25 -","- C140 H162 O61 -","4","1","","Dai, Yi-Guo; Li, Wan-Shan; Pedpradab, Patchara; Liu, Jun-Jun; Wu, Jun; Shen, Li","Thaixylomolins O–R: four new limonoids from the Trang mangrove, Xylocarpus moluccensis","RSC Advances","2016","6","89","85978","85984","10.1039/C6RA14721F","","x-ray","1.54184","CuKα","","0.0314","0.03","","","0.0766","0.0781","","","","","","1.051","","","","has coordinates","282777","2023-04-20","11:56:44",""
"1543976","12.4747","0.0003","8.9839","0.0001","13.2402","0.0003","90","","107.131","0.002","90","","1418.02","0.05","150","2","150","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C30 H38 O11 -","- C30 H38 O11 -","- C60 H76 O22 -","2","1","","Dai, Yi-Guo; Li, Wan-Shan; Pedpradab, Patchara; Liu, Jun-Jun; Wu, Jun; Shen, Li","Thaixylomolins O–R: four new limonoids from the Trang mangrove, Xylocarpus moluccensis","RSC Advances","2016","6","89","85978","85984","10.1039/C6RA14721F","","","1.54178","","","0.0695","0.0637","","","0.18","0.1888","","","","","","1.034","","","","has coordinates","282777","2023-04-20","11:56:45",""
"1543977","32.117","0.002","13.8184","0.0004","26.7619","0.0012","90","","110.83","0.006","90","","11100.8","1","293","2","293","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C20 H86 N2 Na6 O95 Ru2 Te2 W20 -","- C20 H36 N2 Na6 O97 Ru2 Te2 W20 -","- C80 H144 N8 Na24 O388 Ru8 Te8 W80 -","4","0.5","","Zheng, Da-Ming; Wang, Rui-Qiang; Du, Yu; Hou, Guang-Feng; Wu, Li-Xin; Bi, Li-Hua","A new organo-ruthenium substituted tungstotellurate: synthesis, structural characterization and catalytic properties","New J. Chem.","2016","40","10","8829","","10.1039/C6NJ01914E","","","0.71073","MoKα","","0.0866","0.0624","","","0.1294","0.145","","","","","","1.061","","","","has coordinates","187163","2020-10-21","18:00:00",""
"1543978","8.2824","0.0002","11.9132","0.0003","18.2409","0.0005","90","","90","","90","","1799.83","0.08","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C21 H15 Cl O8 -","- C21 H15 Cl O8 -","- C84 H60 Cl4 O32 -","4","1","","Chen, Senhua; Chen, Dongni; Cai, Runlin; Cui, Hui; Long, Yuhua; Lu, Yongjun; Li, Chunyuan; She, Zhigang","Cytotoxic and Antibacterial Preussomerins from the Mangrove Endophytic Fungus Lasiodiplodia theobromae ZJ-HQ1.","Journal of natural products","2016","79","9","2397","2402","10.1021/acs.jnatprod.6b00639","","","1.54178","CuKα","","0.0393","0.035","","","0.085","0.0896","","","","","","1.056","","","","has coordinates","186957","2020-10-21","18:00:00",""
"1543979","17.259","0.002","4.9915","0.0006","18.893","0.002","90","","111.712","0.004","90","","1512.1","0.3","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","JBM-367","","","- C19 H15 N3 O -","- C19 H15 N3 O -","- C76 H60 N12 O4 -","4","1","","Jeon, Bomi; Yeon, Uiseong; Son, Jeong-Yu; Lee, Phil Ho","Selective Rhodium-Catalyzed C‒H Amidation of Azobenzenes with Dioxazolones under Mild Conditions","Organic Letters","2016","","","","","10.1021/acs.orglett.6b02250","","","0.71073","","","0.1369","0.0777","","","0.1899","0.2149","","","","","","1.034","","","","has coordinates","186034","2020-10-21","18:00:00",""
"1543980","11.9289","0.0007","13.2908","0.0006","11.5","0.0006","90","","111.497","0.007","90","","1696.43","0.17","100","0.1","100","0.1","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","<i>N</i>,<i>N</i>'-Bis(pyridin-2-yl)octanediamide","","- C18 H22 N4 O2 -","- C18 H22 N4 O2 -","- C72 H88 N16 O8 -","4","0.5","HB4070","Dziuk, Błażej; Ośmiałowski, Borys; Ejsmont, Krzysztof; Zarychta, Bartosz","<i>N</i>,<i>N</i>'-Bis(pyridin-2-yl)octanediamide","IUCrData","2016","1","8","x161309","","10.1107/S2414314616013092","","","0.71073","MoKα","","0.0464","0.0315","","","0.0698","0.0729","","","","","","0.946","","","","has coordinates,has Fobs","186046","2020-10-21","18:00:00",""
"1543981","20.3301","0.001","17.4558","0.0006","20.5691","0.0011","90","","119.399","0.007","90","","6359.5","0.7","173","","173","","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","(18-Crown-6-κ^6^<i>O</i>){(trimethylsilyl)[6-(trimethylsilylamino)pyridin-2-yl-κ<i>N</i>^1^]azanido-κ<i>N</i>}potassium(I)","","- C23 H46 K N3 O6 Si2 -","- C23 H46 K N3 O6 Si2 -","- C184 H368 K8 N24 O48 Si16 -","8","1","BH4011","Toney, Sydney E.; Hillesheim, Patrick C.; Guillet, Gary L.","(18-Crown-6-κ^6^<i>O</i>){(trimethylsilyl)[6-(trimethylsilylamino)pyridin-2-yl-κ<i>N</i>^1^]azanido-κ<i>N</i>}potassium(I)","IUCrData","2016","1","8","x161338","","10.1107/S2414314616013389","","","0.71073","MoKα","","0.0753","0.0573","","","0.1304","0.1404","","","","","","1.049","","","","has coordinates,has disorder,has Fobs","186047","2020-10-21","18:00:00",""
"1543982","8.7638","0.0002","9.2286","0.0002","16.7192","0.0003","89.402","0.001","88.904","0.001","76.121","0.001","1312.47","0.05","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","(η^2^,η^2^-cycloocta-1,5-diene)[2-(diphenylphosphanylmethyl)pyridine-κ^2^<i>N</i>,<i>P</i>]rhodium(I) tetrafluoridoborate 1,2-dichloroethane monosolvate","","- C26 H28 B F4 N P Rh -","- C26 H28 B F4 N P Rh -","- C52 H56 B2 F8 N2 P2 Rh2 -","2","1","BT4024","Wei, Siping; Möller, Saskia; Heller, Detlef; Drexler, Hans-Joachim","(η^2^,η^2^-Cycloocta-1,5-diene)[2-(diphenylphosphanylmethyl)pyridine-κ^2^<i>N</i>,<i>P</i>]rhodium(I) tetrafluoridoborate 1,2-dichloroethane monosolvate","IUCrData","2016","1","8","x161318","","10.1107/S2414314616013183","","","0.71073","MoKα","","0.0213","0.0205","","","0.0535","0.0539","","","","","","1.049","","","","has coordinates,has Fobs","186048","2020-10-21","18:00:00",""
"1543983","13.414","0.004","12.654","0.003","9.964","0.001","90","","101.43","0.02","90","","1657.8","0.7","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Bis(methanol-κ<i>O</i>)bis{5-(pyridin-2-yl-κ<i>N</i>)-3-[4-(pyridin-4-yl)phenyl]-1<i>H</i>-1,2,4-triazol-1-ido-κ<i>N</i>^1^}cobalt(II)","","- C38 H32 Co N10 O2 -","- C38 H32 Co N10 O2 -","- C76 H64 Co2 N20 O4 -","2","0.5","","Peng, Zhen; Xia, Liang; Dong, Wen-Wen","Bis(methanol-κ<i>O</i>)bis{5-(pyridin-2-yl-κ<i>N</i>)-3-[4-(pyridin-4-yl)phenyl]-1<i>H</i>-1,2,4-triazol-1-ido-κ<i>N</i>^1^}cobalt(II)","IUCrData","2016","1","8","x161316","","10.1107/S241431461601316X","","","0.71073","MoKα","","0.1019","0.074","","","0.1744","0.1928","","","","","","1.004","","","","has coordinates,has Fobs","186049","2020-10-21","18:00:00",""
"1543984","11.6245","0.0007","6.913","0.0004","13.7792","0.001","90","","106.591","0.002","90","","1061.2","0.12","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","10-Methyl-10<i>H</i>-phenothiazine","","- C13 H11 N S -","- C13 H11 N S -","- C52 H44 N4 S4 -","4","1","BT4023","Malikireddy, Parvathi; Siddan, Gouthaman; Madurai, Sugunalakshmi; Chandramouleeswaran, Suvasini; Srinivasakannan, Lakshmi","10-Methyl-10<i>H</i>-phenothiazine","IUCrData","2016","1","8","x161299","","10.1107/S2414314616012992","","","0.71073","MoKα","","0.0451","0.0346","","","0.0825","0.0974","","","","","","1.052","","","","has coordinates,has Fobs","186050","2020-10-21","18:00:00",""
"1543985","8.3687","0.0007","13.0913","0.001","12.6778","0.0011","90","","99.086","0.005","90","","1371.5","0.2","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","<i>N</i>'-[(1<i>E</i>)-4-Hydroxy-3-methoxybenzylidene]isonicotinohydrazide monohydrate","","- C14 H15 N3 O4 -","- C14 H15 N3 O4 -","- C56 H60 N12 O16 -","4","1","BV4002","Roopashree, K. R.; Inturi, Bharathkumar; Pujar, Gurubasavaraj V.; Prem Kumar, S. R.; Devarajegowda, H. C.","<i>N</i>'-[(1<i>E</i>)-4-Hydroxy-3-methoxybenzylidene]isonicotinohydrazide monohydrate","IUCrData","2016","1","8","x161300","","10.1107/S2414314616013006","","","1.54178","CuKα","","0.0539","0.0429","","","0.104","0.114","","","","","","1.044","","","","has coordinates,has Fobs","186051","2020-10-21","18:00:00",""
"1543986","9.6719","0.0007","13.4005","0.0009","11.1874","0.0008","90","","112.994","0.002","90","","1334.77","0.16","193","2","193","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","1,2,3,5-Tetramethyl-1<i>H</i>-pyrazol-2-ium triiodide","","- C7 H13 I3 N2 -","- C7 H13 I3 N2 -","- C28 H52 I12 N8 -","4","1","HB4073","Oberparleiter, Stefan; Laus, Gerhard; Wurst, Klaus; Schottenberger, Herwig","1,2,3,5-Tetramethyl-1<i>H</i>-pyrazol-2-ium triiodide","IUCrData","2016","1","8","x161331","","10.1107/S2414314616013316","","","0.71073","MoKα","","0.0298","0.0255","","","0.0583","0.0619","","","","","","1.235","","","","has coordinates,has Fobs","186052","2020-10-21","18:00:00",""
"1543987","11.6972","0.0008","6.6637","0.0005","19.2325","0.0017","90","","103","0.002","90","","1460.7","0.2","295","2","295","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2-Amino-3-methylpyridinium 3,4-dimethoxybenzoate","","- C15 H18 N2 O4 -","- C15 H18 N2 O4 -","- C60 H72 N8 O16 -","4","1","HB4072","Sivakumar, P.; Devi, R. Niranjana; Israel, S.; Chakkaravarthi, G.","2-Amino-3-methylpyridinium 3,4-dimethoxybenzoate","IUCrData","2016","1","8","x161332","","10.1107/S2414314616013328","","","0.71073","MoKα","","0.0861","0.0483","","","0.109","0.1281","","","","","","1.029","","","","has coordinates,has Fobs","186053","2020-10-21","18:00:00",""
"1543988","128.559","0.003","18.5908","0.0004","5.29842","0.0001","90","","90","","90","","12663.3","0.5","99.9","0.6","99.9","0.6","","","","","","","","6","F d d 2","F 2 -2d","43","","","","- C36 H31 Cl2 N O3 S -","- C36 H31 Cl2 N O3 S -","- C576 H496 Cl32 N16 O48 S16 -","16","1","","Deng, Haiqin; Han, Ting; Zhao, Engui; Kwok, Ryan T. K.; Lam, Jacky W. Y.; Tang, Ben Zhong","Multicomponent polymerization: development of a one-pot synthetic route to functional polymers using diyne, N-sulfonyl azide and water/ethanol as reactants","Polym. Chem.","2016","7","36","5646","","10.1039/C6PY01337F","","x-ray","1.54184","CuKα","","0.046","0.0428","","","0.0969","0.0986","","","","","","1.004","","","","has coordinates,has disorder","187204","2020-10-21","18:00:00",""
"1543989","17.4283","0.0006","9.6165","0.0002","19.5792","0.0007","90","","115.005","0.004","90","","2973.89","0.19","99.9","0.6","99.9","0.6","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C37 H33 N O3 S -","- C37 H33 N O3 S -","- C148 H132 N4 O12 S4 -","4","1","","Deng, Haiqin; Han, Ting; Zhao, Engui; Kwok, Ryan T. K.; Lam, Jacky W. Y.; Tang, Ben Zhong","Multicomponent polymerization: development of a one-pot synthetic route to functional polymers using diyne, N-sulfonyl azide and water/ethanol as reactants","Polym. Chem.","2016","7","36","5646","","10.1039/C6PY01337F","","x-ray","1.54184","CuKα","","0.0593","0.0427","","","0.1103","0.1195","","","","","","1.001","","","","has coordinates","187204","2020-10-21","18:00:00",""
"1543990","18.966","0.004","12.681","0.002","16.462","0.003","90","","116.614","0.003","90","","3539.7","1.1","296","2","296.15","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C19 H22 Br N O2 -","- C19 H22 Br N O2 -","- C152 H176 Br8 N8 O16 -","8","1","","Cheng, Jie; Deng, Xia; Wang, Guoqiang; Li, Ying; Cheng, Xu; Li, Guigen","Intermolecular C-H Quaternary Alkylation of Aniline Derivatives Induced by Visible-Light Photoredox Catalysis.","Organic letters","2016","18","18","4538","4541","10.1021/acs.orglett.6b02179","","","0.71073","MoKα","","0.0683","0.045","","","0.1024","0.1106","","","","","","0.999","","","","has coordinates","187948","2020-10-21","18:00:00",""
"1543991","7.9399","0.0004","20.8101","0.0007","19.6719","0.0006","90","","90","","90","","3250.4","0.2","290.92","0.1","290.92","0.1","","","","","","","","3","P b c n","-P 2n 2ab","60","","","","- C44 H28 O4 -","- C44 H28 O4 -","- C176 H112 O16 -","4","0.5","","Zhu, Hai-Tao; Ke, Sen; Zhou, Ni-Ni; Fan, Ming-Jin; Yang, De-Suo","Regioselective Intermolecular [2 + 2]-Cycloaddition of α-Iodo-Unsaturated Ketones Promoted by Diisobutylaluminum Hydride.","Organic letters","2016","18","18","4554","4557","10.1021/acs.orglett.6b02195","","","0.71073","MoKα","","0.083","0.0529","","","0.1038","0.1201","","","","","","1.073","","","","has coordinates","187949","2020-10-21","18:00:00",""
"1543992","10.649","0.002","10.0527","0.0018","12.321","0.002","90","","98.931","0.004","90","","1303","0.4","113","2","113","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H34 Al2 N2 O2 -","- C28 H34 Al2 N2 O2 -","- C56 H68 Al4 N4 O4 -","2","0.5","","Huang, Hai-Chao; Wang, Bin; Zhang, Yan-Ping; Li, Yue-Sheng","Bimetallic aluminum complexes with cyclic β-ketiminato ligands: the cooperative effect improves their capability in polymerization of lactide and ε-caprolactone","Polym. Chem.","2016","7","37","5819","","10.1039/C6PY01092J","","","0.71073","MoKα","","0.033","0.0292","","","0.0852","0.0877","","","","","","1.048","","","","has coordinates","187205","2020-10-21","18:00:00",""
"1543993","10.1875","0.0007","23.8487","0.0016","12.0803","0.0008","90","","96.1673","0.0016","90","","2918","0.3","113","2","113","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C32 H40 Al2 N2 O2 -","- C32 H40 Al2 N2 O2 -","- C128 H160 Al8 N8 O8 -","4","1","","Huang, Hai-Chao; Wang, Bin; Zhang, Yan-Ping; Li, Yue-Sheng","Bimetallic aluminum complexes with cyclic β-ketiminato ligands: the cooperative effect improves their capability in polymerization of lactide and ε-caprolactone","Polym. Chem.","2016","7","37","5819","","10.1039/C6PY01092J","","","0.71075","MoKα","","0.0399","0.0334","","","0.0929","0.0969","","","","","","1.045","","","","has coordinates","187205","2020-10-21","18:00:00",""
"1543994","7.4541","0.0008","12.2711","0.0013","15.7103","0.0015","77.64","0.006","81.252","0.006","80.078","0.006","1372.8","0.2","113","2","113","2","","","","","","","","5","P -1","-P 1","2","","","","- C31 H40 Al2 N2 O2 -","- C31 H40 Al2 N2 O2 -","- C62 H80 Al4 N4 O4 -","2","1","","Huang, Hai-Chao; Wang, Bin; Zhang, Yan-Ping; Li, Yue-Sheng","Bimetallic aluminum complexes with cyclic β-ketiminato ligands: the cooperative effect improves their capability in polymerization of lactide and ε-caprolactone","Polym. Chem.","2016","7","37","5819","","10.1039/C6PY01092J","","","0.71073","MoKα","","0.0374","0.0328","","","0.0937","0.097","","","","","","1.038","","","","has coordinates","187205","2020-10-21","18:00:00",""
"1544014","8.9399","0.0002","12.3247","0.0002","15.5926","0.0003","90","","90","","90","","1718.02","0.06","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C20 H26 N2 O2 -","- C20 H26 N2 O2 -","- C80 H104 N8 O8 -","4","1","","Cheng, Gui-Guang; Li, Dan; Hou, Bo; Li, Xiao-Nian; Liu, Lu; Chen, Ying-Ying; Lunga, Paul-Keilah; Khan, Afsar; Liu, Ya-Ping; Zuo, Zhi-Li; Luo, Xiao-Dong","Melokhanines A-J, Bioactive Monoterpenoid Indole Alkaloids with Diverse Skeletons from Melodinus khasianus.","Journal of natural products","2016","79","9","2158","2166","10.1021/acs.jnatprod.6b00011","","","1.54178","CuKα","","0.0274","0.0274","","","0.0697","0.0698","","","","","","1.076","","","","has coordinates","186956","2020-10-21","18:00:00",""
"1544024","9.4679","0.001","10.2537","0.0011","10.3314","0.0012","95.058","0.007","91.227","0.008","99.386","0.006","985.05","0.19","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H21 N3 O4 S -","- C20 H21 N3 O4 S -","- C40 H42 N6 O8 S2 -","2","1","","Zhang, Ziqian; Li, Yi; He, Haihong; Qian, Xuhong; Yang, Youjun","Mild Chemotriggered Generation of a Fluorophore-Tethered Diazoalkane Species via Smiles Rearrangement.","Organic letters","2016","18","18","4674","4677","10.1021/acs.orglett.6b02303","","","1.54178","CuKα","","0.0722","0.0587","","","0.166","0.1862","","","","","","1.037","","","","has coordinates","187945","2020-10-21","18:00:00",""
"1544025","11.466","0.0003","16.5965","0.0004","20.5339","0.0007","90","","93.942","0.003","90","","3898.26","0.19","571","2","571","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H12 Cl N O2 -","- C15 H12 Cl N O2 -","- C180 H144 Cl12 N12 O24 -","12","3","","Chen, Xun; Hu, Xinwei; Deng, Yuanfu; Jiang, Huanfeng; Zeng, Wei","A [4 + 1] Cyclative Capture Access to Indolizines via Cobalt(III)-Catalyzed Csp(2)-H Bond Functionalization.","Organic letters","2016","","","","","10.1021/acs.orglett.6b02421","","","1.54184","CuKα","","0.0638","0.0405","","","0.0906","0.1033","","","","","","1.037","","","","has coordinates","214153","2020-10-21","18:00:00",""
"1544026","11.662","0.003","7.774","0.002","12.367","0.003","90","","115.135","0.004","90","","1015","0.4","273","2","273.15","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C22 H19 Br N2 O2 S -","- C22 H19 Br N2 O2 S -","- C44 H38 Br2 N4 O4 S2 -","2","1","","Shu, Chao; Shen, Cang-Hai; Wang, Yong-Heng; Li, Long; Li, Tao; Lu, Xin; Ye, Long-Wu","Synthesis of 2-Aza-1,3-butadienes through Gold-Catalyzed Intermolecular Ynamide Amination/C-H Functionalization.","Organic letters","2016","","","","","10.1021/acs.orglett.6b02267","","","0.71073","MoKα","","0.0398","0.0343","","","0.0771","0.0783","","","","","","0.986","","","","has coordinates","186167","2020-10-21","18:00:00",""
"1544027","13.538","0.004","5.123","0.0018","30.167","0.01","90","","95.968","0.009","90","","2080.9","1.2","200","2","200","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","bis(3-Chlorothiophene-2-carboxylic acid); 4,4'-bipyridine","","- C20 H14 Cl2 N2 O4 S2 -","- C20 H14 Cl2 N2 O4 S2 -","- C80 H56 Cl8 N8 O16 S8 -","4","0.5","HG5476","Prajina, Olakkandiyil; Thomas Muthiah, Packianathan; Geiger, David K.","Supramolecular interactions in the 1:2 co-crystal of 4,4'-bipyridine and 3-chlorothiophene-2-carboxylic acid","Acta Crystallographica Section E","2016","72","10","1362","1365","10.1107/S2056989016013724","","","0.71073","MoKα","","0.0692","0.0545","","","0.131","0.1358","","","","","","1.194","","","","has coordinates,has Fobs","187992","2020-10-21","18:00:00",""
"1544028","8.9453","0.0006","24.8813","0.0017","17.3105","0.0011","90","","103.135","0.002","90","","3752","0.4","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","<i>N</i>,<i>N</i>'-Diphenyl-4-methoxybenzamidinium nitrate","","- C20 H19 N3 O4 -","- C20 H19 N3 O4 -","- C160 H152 N24 O32 -","8","2","","Silva, Renata S.; Sena, Jonathan X.; Rodrigues-Santos, Claudio Eduardo; Echevarria, Aurea; Guedes, Guilherme P.; Herbst, Marcelo H.","<i>N</i>,<i>N</i>'-Diphenyl-4-methoxybenzamidinium nitrate","IUCrData","2016","1","9","x161392","","10.1107/S2414314616013924","","","0.71073","MoKα","","0.1157","0.0694","","","0.1756","0.2087","","","","","","1.034","","","","has coordinates,has Fobs","186183","2020-10-21","18:00:00",""
"1544029","21.3428","0.0008","5.7635","0.0002","28.287","0.0011","90","","91.634","0.001","90","","3478.1","0.2","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","(<i>E</i>)-1-(4-Aminophenyl)-3-[4-(benzyloxy)phenyl]prop-2-en-1-one","","- C22 H19 N O2 -","- C22 H19 N O2 -","- C176 H152 N8 O16 -","8","2","","Hannah Clara, T.; Prasana, Johanan Christian; Reuben Jonathan, D.; Revathi, B. K.; Usha, G.","(<i>E</i>)-1-(4-Aminophenyl)-3-[4-(benzyloxy)phenyl]prop-2-en-1-one","IUCrData","2016","1","9","x161371","","10.1107/S2414314616013717","","","0.71073","MoKα","","0.1042","0.0491","","","0.1375","0.1914","","","","","","1.017","","","","has coordinates,has disorder,has Fobs","186184","2020-10-21","18:00:00",""
"1544030","8.717","0.003","16.325","0.005","21.043","0.007","90","","90","","90","","2994.5","1.7","90","2","90","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","1,4-[4-(9,17-Dithia[3.3]metacyclophane)]-1,3-butadiyne","Bis[3,11-dithiatricyclo[11.3.1.1^5,9^]octadeca-1(17),5,7,9(18),13,15-hexaen-7-yl]-1,3-butadiyne","","- C36 H30 S4 -","- C36 H30 S4 -","- C144 H120 S16 -","4","0.5","HB4071","Moriguchi, Tetsuji; Yakeya, Daisuke; Jalli, Venkataprasad; Tsuge, Akihiko","Bis[3,11-dithiatricyclo[11.3.1.15,9]octadeca-1(17),5,7,9(18),13,15-hexaen-7-yl]-1,3-butadiyne","IUCrData","2016","1","9","","","10.1107/S241431461601378X","","","0.71073","MoKα","","0.0568","0.0433","","","0.1125","0.1298","","","","","","1.156","","","","has coordinates,has Fobs","186185","2020-10-21","18:00:00",""
"1544033","22.5227","0.0019","13.0043","0.0008","16.6637","0.0011","90","","105.449","0.008","90","","4704.3","0.6","293","2","293.15","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C27 H22 Cl N3 O2 -","- C27 H22 Cl N3 O2 -","- C216 H176 Cl8 N24 O16 -","8","1","","Zhou, Xiaorong; Fan, Zili; Zhang, Zhiyin; Lu, Ping; Wang, Yanguang","Construction of Pyrrolo[1,2-a]indoles via Cobalt(III)-Catalyzed Enaminylation of 1-(Pyrimidin-2-yl)-1H-indoles with Ketenimines and Subsequent Base-Promoted Cyclization.","Organic letters","2016","18","18","4706","4709","10.1021/acs.orglett.6b02353","","","0.71073","MoKα","","0.0867","0.0513","","","0.1232","0.1503","","","","","","1.024","","","","has coordinates,has disorder","187947","2020-10-21","18:00:00",""
"1544034","7.9757","0.0004","11.0702","0.0005","25.2461","0.0011","90","","90.966","0.004","90","","2228.73","0.18","293","2","293.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C27 H17 Cl N4 O -","- C27 H17 Cl N4 O -","- C108 H68 Cl4 N16 O4 -","4","1","","Zhou, Xiaorong; Fan, Zili; Zhang, Zhiyin; Lu, Ping; Wang, Yanguang","Construction of Pyrrolo[1,2-a]indoles via Cobalt(III)-Catalyzed Enaminylation of 1-(Pyrimidin-2-yl)-1H-indoles with Ketenimines and Subsequent Base-Promoted Cyclization.","Organic letters","2016","18","18","4706","4709","10.1021/acs.orglett.6b02353","","","0.71073","MoKα","","0.0593","0.0407","","","0.0932","0.1049","","","","","","1.026","","","","has coordinates","187947","2020-10-21","18:00:00",""
"1544035","5.3047","0.0003","9.4281","0.0005","10.3733","0.0006","73.857","0.003","79.443","0.004","83.488","0.003","488.84","0.05","299","2","299","2","","","","","","","","5","P 1","P 1","1","phthalonitrile","","","- C20 H14 N4 O2 S2 -","- C20 H14 N4 O2 S2 -","- C20 H14 N4 O2 S2 -","1","1","","Alpugan, Serkan; Ekineker, Gülçin; Ahsen, Vefa; Berber, Savaş; Önal, Emel; Dumoulin, Fabienne","Bisphthalonitrile with a Disulfide-Based Linker and its Dimethylene Analogue: Comparative Structural Insights","Crystals","2016","6","8","89","","10.3390/cryst6080089","","","0.71073","MoKα","","0.0403","0.0353","","","0.0874","0.0906","","","","","","1.031","","","","has coordinates","186267","2020-10-21","18:00:00",""
"1544036","9.6012","0.0015","14.683","0.002","38.686","0.006","90","","90","","90","","5453.7","1.4","223","2","223","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C34 H29 N O4 -","- C34 H29 N O4 -","- C272 H232 N8 O32 -","8","2","","Han, Dandan; Chen, Jinjin; He, Qiuqin; Fan, Renhua","Dearomatization-Induced Cycloaddition and Aromatization-Triggered Rearrangement: Synthesis of Vertically Expanded Five-Ring Fused Benzofurans.","Organic letters","2016","18","18","4690","4693","10.1021/acs.orglett.6b02329","","","0.71073","MoKα","","0.102","0.0558","","","0.1271","0.149","","","","","","1.012","","","","has coordinates,has disorder","217633","2020-10-21","18:00:00",""
"1544037","5.6873","0.0001","13.809","0.0003","29.7776","0.0006","90","","90","","90","","2338.61","0.08","100","","100","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","Allyl 3,4,6-tri-<i>O</i>-acetyl-2-deoxy-2-phthalimido-β-<i>D</i>-glucopyranoside","","- C23 H25 N O10 -","- C23 H25 N O10 -","- C92 H100 N4 O40 -","4","1","LH4012","Curran, Hannah; Zhang, Chenyao; Piro, Nicholas A.; Kassel, W. Scott; Giuliano, Robert M.","Allyl 3,4,6-tri-<i>O</i>-acetyl-2-deoxy-2-phthalimido-β-<small>D</small>-glucopyranoside","IUCrData","2016","1","8","x161363","","10.1107/S2414314616013638","","","0.71073","MoKα","","0.0505","0.0355","","","0.0703","0.077","","","","","","1.025","","","","has coordinates,has Fobs","186274","2020-10-21","18:00:00",""
"1544038","10.0156","0.0005","10.1116","0.0003","29.1958","0.001","92.445","0.002","96.7","0.003","104.735","0.003","2831.9","0.2","140","2","140.15","","","","","","","","","5","P -1","-P 1","2","","","","- C52 H42 N2 O4 S4 -","- C45.9293 H28 N1.33333 O3.28 S2.66667 -","- C137.788 H84 N4 O9.84 S8 -","3","1.5","","Paek, S.; Zimmermann, I.; Gao, P.; Gratia, P.; Rakstys, K.; Grancini, G.; Nazeeruddin, Mohammad Khaja; Rub, Malik Abdul; Kosa, Samia A.; Alamry, Khalid A.; Asiri, Abdullah M.","Donor‒π‒donor type hole transporting materials: marked π-bridge effects on optoelectronic properties, solid-state structure, and perovskite solar cell efficiency","Chem. Sci.","2016","7","9","6068","","10.1039/C6SC01478J","","","0.71073","MoKα","","0.1266","0.0686","","","0.1614","0.1949","","","","","","1.048","","","","has coordinates,has disorder","186281","2020-10-21","18:00:00",""
"1544039","19.904","0.002","8.9529","0.0011","24.941","0.002","90","","90","","90","","4444.4","0.8","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C48 H40 N2 O4 S2 -","- C50 H40 N2 O6 S2 -","- C200 H160 N8 O24 S8 -","4","0.5","","Paek, S.; Zimmermann, I.; Gao, P.; Gratia, P.; Rakstys, K.; Grancini, G.; Nazeeruddin, Mohammad Khaja; Rub, Malik Abdul; Kosa, Samia A.; Alamry, Khalid A.; Asiri, Abdullah M.","Donor‒π‒donor type hole transporting materials: marked π-bridge effects on optoelectronic properties, solid-state structure, and perovskite solar cell efficiency","Chem. Sci.","2016","7","9","6068","","10.1039/C6SC01478J","","","0.71073","MoKα","","0.1621","0.0763","","","0.1734","0.2315","","","","","","1.153","","","","has coordinates","186281","2020-10-21","18:00:00",""
"1544040","11.0264","0.0006","10.3433","0.0014","17.0214","0.0017","90","","93.313","0.005","90","","1938","0.3","120","2","120.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C46 H38 N2 O4 S2 -","- C46 H38 N2 O4 S2 -","- C92 H76 N4 O8 S4 -","2","0.5","","Paek, S.; Zimmermann, I.; Gao, P.; Gratia, P.; Rakstys, K.; Grancini, G.; Nazeeruddin, Mohammad Khaja; Rub, Malik Abdul; Kosa, Samia A.; Alamry, Khalid A.; Asiri, Abdullah M.","Donor‒π‒donor type hole transporting materials: marked π-bridge effects on optoelectronic properties, solid-state structure, and perovskite solar cell efficiency","Chem. Sci.","2016","7","9","6068","","10.1039/C6SC01478J","","","0.71073","MoKα","","0.0787","0.0525","","","0.1177","0.1336","","","","","","1.164","","","","has coordinates","186281","2020-10-21","18:00:00",""
"1544041","12.7253","0.0004","8.8911","0.0003","37.7183","0.0012","90","","94.23","0.002","90","","4255.9","0.2","99","2","99","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Dithienylbenzenedithiophene bis(platinum bisacetylide)","","- C86 H126 P4 Pt2 S4 -","- C86 H126 P4 Pt2 S4 -","- C172 H252 P8 Pt4 S8 -","2","0.5","","He, Wenhan; Livshits, Maksim Y.; Dickie, Diane A.; Yang, Jianzhong; Quinnett, Rachel; Rack, Jeffrey J.; Wu, Qin; Qin, Yang","A “roller-wheel” Pt-containing small molecule that outperforms its polymer analogs in organic solar cells","Chem. Sci.","2016","7","9","5798","","10.1039/C6SC00513F","","","0.71073","MoKα","","0.0796","0.0446","","","0.0875","0.0986","","","","","","1.013","","","","has coordinates,has disorder","186282","2020-10-21","18:00:00",""
"1544042","22.6505","0.0006","11.2352","0.0003","12.7961","0.0003","90","","90","","90","","3256.39","0.14","100","2","100","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C24 H33 Ca2 N3 O12 S2 -","- C24 H33 Ca2 N3 O12 S2 -","- C96 H132 Ca8 N12 O48 S8 -","4","1","","Xue, Hui; Chen, Qihui; Jiang, Feilong; Yuan, Daqiang; Lv, Guangxun; Liang, Linfeng; Liu, Luyao; Hong, Maochun","A regenerative metal‒organic framework for reversible uptake of Cd(ii): from effective adsorption to in situ detection","Chem. Sci.","2016","7","9","5983","","10.1039/C6SC00972G","","","1.54184","CuKα","","0.0431","0.041","","","0.0952","0.0967","","","","","","1.081","","","","has coordinates","186283","2020-10-21","18:00:00",""
"1544043","6.5562","0.0002","10.6424","0.0005","18.2951","0.0006","90","","98.07","0.003","90","","1263.88","0.08","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C10 H13 Ca N O6 S -","- C10 H13 Ca N O6 S -","- C40 H52 Ca4 N4 O24 S4 -","4","1","","Xue, Hui; Chen, Qihui; Jiang, Feilong; Yuan, Daqiang; Lv, Guangxun; Liang, Linfeng; Liu, Luyao; Hong, Maochun","A regenerative metal‒organic framework for reversible uptake of Cd(ii): from effective adsorption to in situ detection","Chem. Sci.","2016","7","9","5983","","10.1039/C6SC00972G","","","0.71073","MoKα","","0.0473","0.0345","","","0.0692","0.0777","","","","","","1.065","","","","has coordinates","186283","2020-10-21","18:00:00",""
"1544044","11.145","0.0007","24.8685","0.0014","20.3023","0.0012","90","","105.745","0.002","90","","5415.8","0.6","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C136.5 H112 Cl4 N10 O2 -","- C136.5 H112 Cl4 N10 O2 -","- C273 H224 Cl8 N20 O4 -","2","0.5","","Galán, Albano; Aragay, Gemma; Ballester, Pablo","A chiral “Siamese-Twin” calix[4]pyrrole tetramer","Chem. Sci.","2016","7","9","5976","","10.1039/C6SC01843B","","","0.71073","MoKα","","0.1263","0.0952","","","0.2438","0.2659","","","","","","1.113","","","","has coordinates,has disorder","186284","2020-10-21","18:00:00",""
"1544045","24.3201","0.0018","40.885","0.003","24.8903","0.0017","90","","107.986","0.002","90","","23540","3","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C283.25 H228 Cl5.25 N36.75 O4 -","- C283.25 H228 Cl5.25 N36.75 O4 -","- C1133 H912 Cl21 N147 O16 -","4","1","","Galán, Albano; Aragay, Gemma; Ballester, Pablo","A chiral “Siamese-Twin” calix[4]pyrrole tetramer","Chem. Sci.","2016","7","9","5976","","10.1039/C6SC01843B","","","0.71073","MoKα","","0.1321","0.0983","","","0.2594","0.2989","","","","","","1.09","","","","has coordinates,has disorder","186284","2020-10-21","18:00:00",""
"1544059","27.1174","0.0013","10.1914","0.0003","11.9292","0.0006","90","","94.075","0.004","90","","3288.5","0.2","193","2","193","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","3-(2,4-Difluorophenyl)-1-(pyridin-4-yl)benzo[4,5]imidazo[1,2-<i>d</i>][1,2,4]triazin-4(<i>3H</i>)-one","","- C20 H11 F2 N5 O -","- C20 H11 F2 N5 O -","- C160 H88 F16 N40 O8 -","8","1","","Abu Thaher, Bassam; Schollmeyer, Dieter; Qeshta, Basem; Deigner, Hans-Peter","3-(2,4-Difluorophenyl)-1-(pyridin-4-yl)benzo[4,5]imidazo[1,2-<i>d</i>][1,2,4]triazin-4(<i>3H</i>)-one","IUCrData","2016","1","9","x161380","","10.1107/S2414314616013808","","","0.71073","MoKα","","0.056","0.0375","","","0.089","0.0983","","","","","","1.056","","","","has coordinates,has Fobs","186496","2020-10-21","18:00:00",""
"1544060","15.9363","0.0008","15.9363","0.0008","16.8801","0.0008","90","","90","","90","","4287","0.4","100","","100","","","","","","","","","5","P -4 21 c","P -4 2n","114","","(η^5^-2,4-Dimethylcyclopenta[<i>b</i>]indolyl)(η^5^-pentamethylcyclopentadienyl)zirconium(IV) dichloride","","- C23 H27 Cl2 N Zr -","- C23 H27 Cl2 N Zr -","- C184 H216 Cl16 N8 Zr8 -","8","1","FF4008","Medvedev, Michael G.; Ryabov, Alexey N.; Uborsky, Dmitry V.; Kononovich, Dmitry S.; Izmer, Vyatcheslav V.; Voskoboynikov, Alexander Z.","(η5-2,4-Dimethylcyclopenta[b]indolyl)(η5-pentamethylcyclopentadienyl)zirconium(IV) dichloride","IUCrData","2016","1","9","","","10.1107/S2414314616014085","","","0.71073","MoKα","","0.0452","0.0422","","","0.0951","0.0963","","","","","","1.11","","","","has coordinates,has Fobs","186497","2020-10-21","18:00:00",""
"1544061","7.4207","0.0006","8.8159","0.0007","12.5246","0.001","86.873","0.003","87.735","0.003","77.166","0.003","797.39","0.11","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","2-(2-Azabicyclo[3.2.1]octa-3,6-dien-2-yl)-1,3-dimethoxyimidazolium hexafluoridophosphate","","- C12 H16 F6 N3 O2 P -","- C12 H16 F6 N3 O2 P -","- C24 H32 F12 N6 O4 P2 -","2","1","HB4076","Haslinger, Simone; Laus, Gerhard; Wurst, Klaus; Schottenberger, Herwig","2-(2-Azabicyclo[3.2.1]octa-3,6-dien-2-yl)-1,3-dimethoxyimidazolium hexafluoridophosphate","IUCrData","2016","1","9","x161410","","10.1107/S2414314616014103","","","0.71073","MoKα","","0.0627","0.0538","","","0.1178","0.1239","","","","","","1.115","","","","has coordinates,has disorder,has Fobs","186498","2020-10-21","18:00:00",""
"1544062","16.7541","0.0018","11.0261","0.0011","7.2064","0.0007","90","","90","","90","","1331.3","0.2","295","2","295","2","","","","","","","","4","P n a 21","P 2c -2n","33","","2-Amino-4-methylpyridinium 4-methylbenzoate","","- C14 H16 N2 O2 -","- C14 H16 N2 O2 -","- C56 H64 N8 O8 -","4","1","HB4078","Sivakumar, P.; Anzline, C.; Israel, S.; Chakkaravarthi, G.","2-Amino-4-methylpyridinium 4-methylbenzoate","IUCrData","2016","1","9","x161411","","10.1107/S2414314616014115","","","0.71073","MoKα","","0.0584","0.0386","","","0.0867","0.1018","","","","","","1.108","","","","has coordinates,has Fobs","186499","2020-10-21","18:00:00",""
"1544063","34.6","0.018","34.6","0.018","34.6","0.018","90","","90","","90","","41422","4","296","2","296","2","","","","","","","","4","I m -3 m","-I 4 2 3","229","","","","- C60 H24 Cu3 O15 -","- C60 H24 Cu3 O15 -","- C480 H192 Cu24 O120 -","8","0.0833333","","Gómez-Gualdrón, Diego A.; Colón, Yamil J.; Zhang, Xu; Wang, Timothy C.; Chen, Yu-Sheng; Hupp, Joseph T.; Yildirim, Taner; Farha, Omar K.; Zhang, Jian; Snurr, Randall Q.","Evaluating topologically diverse metal‒organic frameworks for cryo-adsorbed hydrogen storage","Energy Environ. Sci.","2016","9","10","3279","","10.1039/C6EE02104B","","","0.41328","Synchrotron","","0.0718","0.0608","","","0.2134","0.2237","","","","","","1.118","","","","has coordinates","187151","2020-10-21","18:00:00",""
"1544064","39.618","0.003","39.618","0.003","39.618","0.003","90","","90","","90","","62184","8","296","2","296","2","","","","","","","","4","I m -3 m","-I 4 2 3","229","","","","- C84 H48 Cu3 O15 -","- C84 H48 Cu3 O15 -","- C672 H384 Cu24 O120 -","8","0.0833333","","Gómez-Gualdrón, Diego A.; Colón, Yamil J.; Zhang, Xu; Wang, Timothy C.; Chen, Yu-Sheng; Hupp, Joseph T.; Yildirim, Taner; Farha, Omar K.; Zhang, Jian; Snurr, Randall Q.","Evaluating topologically diverse metal‒organic frameworks for cryo-adsorbed hydrogen storage","Energy Environ. Sci.","2016","9","10","3279","","10.1039/C6EE02104B","","","0.4428","Synchrotron","","0.153","0.1388","","","0.349","0.3607","","","","","","1.134","","","","has coordinates","187151","2020-10-21","18:00:00",""
"1544065","46.744","0.003","46.744","0.003","46.744","0.003","90","","90","","90","","102136","11","296","2","296","2","","","","","","","","4","I m -3 m","-I 4 2 3","229","","","","- C96 H48 Cu3 O15 -","- C96 H48 Cu3 O15 -","- C768 H384 Cu24 O120 -","8","0.0833333","","Gómez-Gualdrón, Diego A.; Colón, Yamil J.; Zhang, Xu; Wang, Timothy C.; Chen, Yu-Sheng; Hupp, Joseph T.; Yildirim, Taner; Farha, Omar K.; Zhang, Jian; Snurr, Randall Q.","Evaluating topologically diverse metal‒organic frameworks for cryo-adsorbed hydrogen storage","Energy Environ. Sci.","2016","9","10","3279","","10.1039/C6EE02104B","","","0.41328","Synchrotron","","0.1726","0.0981","","","0.2874","0.3556","","","","","","1.147","","","","has coordinates","187151","2020-10-21","18:00:00",""
"1544066","8.5367","0.0009","15.0339","0.0016","14.7258","0.0016","90","","90","","90","","1889.9","0.3","293","","293","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C19 H22 Br N O4 -","- C19 H23 Br N O4 -","- C76 H92 Br4 N4 O16 -","4","1","","Zhou, Fengtao; Yamamoto, Hisashi","A Disulfonimide Catalyst for Highly Enantioselective Mukaiyama-Mannich Reaction.","Organic letters","2016","18","19","4974","4977","10.1021/acs.orglett.6b02262","","","0.71075","MoKα","","","0.0371","","","","0.0877","","","","","","1.019","","","","has coordinates","187975","2020-10-21","18:00:00",""
"1544067","12.3916","0.0007","9.7149","0.0005","13.2453","0.001","90","","94.592","0.006","90","","1589.39","0.17","300.05","0.1","300.05","0.1","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","","","- C16 H20 N6 -","- C16 H20 N6 -","- C64 H80 N24 -","4","1","","Kroon, Edwin; Kurpiewska, Katarzyna; Kalinowska-Tłuścik, Justyna; Dömling, Alexander","Cleavable β-Cyanoethyl Isocyanide in the Ugi Tetrazole Reaction.","Organic letters","2016","18","19","4762","4765","10.1021/acs.orglett.6b01826","","","0.7107","MoKα","","0.1844","0.0821","","","0.1803","0.2405","","","","","","0.979","","","","has coordinates","187978","2020-10-21","18:00:00",""
"1544068","11.09","0.002","11.32","0.002","16.243","0.003","74.94","0.03","82.76","0.03","75.06","0.03","1898.7","0.7","113.15","","113.15","","","","","","","","","5","P -1","-P 1","2","","","","- C32 H35 N5 Nd2 O18 -","- C32 H35 N5 Nd2 O18 -","- C64 H70 N10 Nd4 O36 -","2","1","","Du, Pei-Yao; Gu, Wen; Liu, Xin","A three-dimensional Nd(iii)-based metal‒organic framework as a smart drug carrier","New J. Chem.","2016","40","11","9017","","10.1039/C6NJ02221A","","","0.71073","MoKα","","0.1055","0.0801","","","0.2135","0.2344","","","","","","1.082","","","","has coordinates,has disorder","188261","2020-10-21","18:00:00",""
"1544069","7.1366","0.0003","16.9882","0.0006","9.441","0.0004","90","","112.008","0.002","90","","1061.2","0.08","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C11 H8 N6 O -","- C11 H8 N6 O -","- C44 H32 N24 O4 -","4","1","","Cai, Jiawei; Li, Zhixin; Qiu, Yanxuan; OuYang, Zhijian; Lin, Wenning; Yang, Liu; Feng, Weijin; Yu, Xinwei; Dong, Wen","The syntheses, structures and azo‒hydrazone tautomeric studies of three triazole/tetrazole azo dyes","New J. Chem.","2016","40","11","9370","","10.1039/C5NJ02539G","","","0.71073","MoKα","","0.0682","0.0394","","","0.0917","0.1051","","","","","","1.017","","","","has coordinates","188270","2020-10-21","18:00:00",""
"1544070","3.7787","0.0003","15.4361","0.0013","17.0098","0.0014","90","","92.735","0.006","90","","991.02","0.14","296","2","296.15","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C12 H7 N5 O -","- C12 H7 N5 O -","- C48 H28 N20 O4 -","4","1","","Cai, Jiawei; Li, Zhixin; Qiu, Yanxuan; OuYang, Zhijian; Lin, Wenning; Yang, Liu; Feng, Weijin; Yu, Xinwei; Dong, Wen","The syntheses, structures and azo‒hydrazone tautomeric studies of three triazole/tetrazole azo dyes","New J. Chem.","2016","40","11","9370","","10.1039/C5NJ02539G","","","0.71073","MoKα","","0.1305","0.0505","","","0.1083","0.14","","","","","","0.986","","","","has coordinates","188270","2020-10-21","18:00:00",""
"1544071","6.734","0.004","12.536","0.006","9.12","0.005","90","","118.622","0.01","90","","675.8","0.6","173","2","173.15","","","","","","","","","5","C 1 m 1","C -2y","8","","","","- C10 H7 Ag2 Fe N7 -","- C10 H7 Ag2 Fe N7 -","- C20 H14 Ag4 Fe2 N14 -","2","0.5","","Gural'skiy, Il'ya A.; Shylin, Sergii I.; Golub, Bohdan O.; Ksenofontov, Vadim; Fritsky, Igor O.; Tremel, Wolfgang","High temperature spin crossover in [Fe(pyrazine){Ag(CN)2}2] and its solvate","New J. Chem.","2016","40","11","9012","","10.1039/C6NJ01472K","","","0.71073","MoKα","","0.0459","0.0389","","","0.0776","0.0791","","","","","","1.044","","","","has coordinates,has disorder","188272","2020-10-21","18:00:00",""
"1544072","21.4745","0.0008","7.4295","0.0002","26.173","0.0011","90","","127.366","0.002","90","","3318.8","0.2","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Poly[(dimethylformamide-1κ<i>O</i>)(ethanol-1κ<i>O</i>)(μ~5~-2,3,5,6-tetrafluorobenzenedicarboxylato-1:2κ^2^<i>O</i>;1:3κ^2^<i>O</i>';4κ<i>O</i>'';5κ<i>O</i>''')barium(II)]","","- C13 H13 Ba F4 N O6 -","- C13 H12 Ba F4 N O6 -","- C104 H96 Ba8 F32 N8 O48 -","8","2","WM4024","Smets, Daniel; Sobieray, Miriam; Ruschewitz, Uwe","A new alkaline earth metal tetrafluoroterephthalate: [Ba(tfBDC)(DMF)(EtOH)]","IUCrData","2016","1","9","x161409","","10.1107/S2414314616014097","","","0.71073","MoKα","","0.0536","0.0383","","","0.0919","0.0989","","","","","","1.038","","","","has coordinates,has disorder,has Fobs","186547","2020-10-21","18:00:00",""
"1544073","13.069","0.001","9.1387","0.0006","11.3367","0.0009","90","","112.841","0.003","90","","1247.81","0.16","295","2","295","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2-Amino-4-methylpyridinium 4-hydroxybenzoate","","- C13 H14 N2 O3 -","- C13 H14 N2 O3 -","- C52 H56 N8 O12 -","4","1","BT4025","Sivakumar, P.; Sudhahar, S.; Israel, S.; Chakkaravarthi, G.","2-Amino-4-methylpyridinium 4-hydroxybenzoate","IUCrData","2016","1","9","x161425","","10.1107/S2414314616014255","","","0.71073","MoKα","","0.1319","0.0686","","","0.1574","0.1985","","","","","","1.037","","","","has coordinates,has Fobs","186548","2020-10-21","18:00:00",""
"1544074","12.14","0.001","19.298","0.0015","19.449","0.0016","90","","90","","90","","4556.5","0.6","113","2","113","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","Bis[2-(pyrrol-2-ylmethyleneamino)-2'-methoxy-6,6'-dimethyl-1,1'-biphenyl-κ^2^<i>N,N</i>']bis(dimethylamido-κ<i>N</i>)vanadium(IV) toluene monosolvate","","- C51 H58 N6 O2 V -","- C51 H58 N6 O2 V -","- C204 H232 N24 O8 V4 -","4","1","HG4012","Wang, Qiuwen; Xiong, Yihan; Deng, Xuebin","Bis[2-(pyrrol-2-ylmethyleneamino)-2'-methoxy-6,6'-dimethyl-1,1'-biphenyl-κ^2^<i>N,N</i>']bis(dimethylamido-κ<i>N</i>)vanadium(IV) toluene monosolvate","IUCrData","2016","1","9","x161421","","10.1107/S2414314616014218","","","1.54187","CuKα","","0.0329","0.0297","","","0.0656","0.0678","","","","","","1.02","","","","has coordinates,has Fobs","186549","2020-10-21","18:00:00",""
"1544075","15.1215","0.0012","14.5537","0.0012","17.0259","0.0008","90","","92.957","0.004","90","","3742","0.5","290","2","290","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","bis(N-(2-Pyridylmethylene)-4-(phenylazo)aniline)-diisothiocyanato-iron(ii)","","- C38 H28 Fe N10 S2 -","- C38 H28 Fe N10 S2 -","- C152 H112 Fe4 N40 S8 -","4","1","","Lakhloufi, S.; Lemée-Cailleau, M H; Chastanet, G.; Rosa, P.; Daro, N.; Guionneau, P.","Structural movies of the gradual spin-crossover in a molecular complex at various physical scales.","Physical chemistry chemical physics : PCCP","2016","18","40","28307","28315","10.1039/c6cp04987g","","","0.71073","MoKα","","0.0633","0.0401","","","0.0806","0.0897","","","","","","1.042","","","","has coordinates","188317","2020-10-21","18:00:00",""
"1544076","15.1192","0.0007","14.5268","0.0009","17.0178","0.001","90","","93.017","0.004","90","","3732.5","0.4","275","2","275","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","bis(N-(2-Pyridylmethylene)-4-(phenylazo)aniline)-diisothiocyanato-iron(ii)","","- C38 H28 Fe N10 S2 -","- C38 H28 Fe N10 S2 -","- C152 H112 Fe4 N40 S8 -","4","1","","Lakhloufi, S.; Lemée-Cailleau, M H; Chastanet, G.; Rosa, P.; Daro, N.; Guionneau, P.","Structural movies of the gradual spin-crossover in a molecular complex at various physical scales.","Physical chemistry chemical physics : PCCP","2016","18","40","28307","28315","10.1039/c6cp04987g","","","0.71073","MoKα","","0.0618","0.0403","","","0.081","0.0906","","","","","","1.025","","","","has coordinates","188317","2020-10-21","18:00:00",""
"1544077","15.007","0.001","14.3798","0.001","16.6543","0.0006","90","","92.812","0.003","90","","3589.6","0.4","140","2","140","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","bis(N-(2-Pyridylmethylene)-4-(phenylazo)aniline)-diisothiocyanato-iron(ii)","","- C38 H28 Fe N10 S2 -","- C38 H28 Fe N10 S2 -","- C152 H112 Fe4 N40 S8 -","4","1","","Lakhloufi, S.; Lemée-Cailleau, M H; Chastanet, G.; Rosa, P.; Daro, N.; Guionneau, P.","Structural movies of the gradual spin-crossover in a molecular complex at various physical scales.","Physical chemistry chemical physics : PCCP","2016","18","40","28307","28315","10.1039/c6cp04987g","","","0.71073","MoKα","","0.0328","0.0265","","","0.0606","0.0634","","","","","","1.049","","","","has coordinates","188317","2020-10-21","18:00:00",""
"1544078","15.0917","0.0006","14.196","0.0009","17.1443","0.001","90","","94.31","0.003","90","","3662.6","0.3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","bis(N-(2-Pyridylmethylene)-4-(phenylazo)aniline)-diisothiocyanato-zinc(ii)","","- C38 H28 N10 S2 Zn -","- C38 H28 N10 S2 Zn -","- C152 H112 N40 S8 Zn4 -","4","1","","Lakhloufi, S.; Lemée-Cailleau, M H; Chastanet, G.; Rosa, P.; Daro, N.; Guionneau, P.","Structural movies of the gradual spin-crossover in a molecular complex at various physical scales.","Physical chemistry chemical physics : PCCP","2016","18","40","28307","28315","10.1039/c6cp04987g","","","0.71073","MoKα","","0.0458","0.0421","","","0.1076","0.11","","","","","","1.075","","","","has coordinates","188317","2020-10-21","18:00:00",""
"1544079","15.092","0.0006","14.1832","0.0009","17.1387","0.001","90","","94.321","0.003","90","","3658.2","0.3","90","2","90","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","bis(N-(2-Pyridylmethylene)-4-(phenylazo)aniline)-diisothiocyanato-zinc(ii)","","- C38 H28 N10 S2 Zn -","- C38 H28 N10 S2 Zn -","- C152 H112 N40 S8 Zn4 -","4","1","","Lakhloufi, S.; Lemée-Cailleau, M H; Chastanet, G.; Rosa, P.; Daro, N.; Guionneau, P.","Structural movies of the gradual spin-crossover in a molecular complex at various physical scales.","Physical chemistry chemical physics : PCCP","2016","18","40","28307","28315","10.1039/c6cp04987g","","","0.71073","MoKα","","0.0455","0.0423","","","0.1068","0.1088","","","","","","1.077","","","","has coordinates","188317","2020-10-21","18:00:00",""
"1544080","15.1117","0.0011","14.5148","0.0012","17.011","0.0008","90","","93.032","0.004","90","","3726","0.4","270","2","270","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","bis(N-(2-Pyridylmethylene)-4-(phenylazo)aniline)-diisothiocyanato-iron(ii)","","- C38 H28 Fe N10 S2 -","- C38 H28 Fe N10 S2 -","- C152 H112 Fe4 N40 S8 -","4","1","","Lakhloufi, S.; Lemée-Cailleau, M H; Chastanet, G.; Rosa, P.; Daro, N.; Guionneau, P.","Structural movies of the gradual spin-crossover in a molecular complex at various physical scales.","Physical chemistry chemical physics : PCCP","2016","18","40","28307","28315","10.1039/c6cp04987g","","","0.71073","MoKα","","0.0545","0.0371","","","0.0784","0.086","","","","","","1.046","","","","has coordinates","188317","2020-10-21","18:00:00",""
"1544081","15.0934","0.0006","14.2495","0.0009","17.147","0.001","90","","94.234","0.003","90","","3677.8","0.3","130","2","130","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","bis(N-(2-Pyridylmethylene)-4-(phenylazo)aniline)-diisothiocyanato-zinc(ii)","","- C38 H28 N10 S2 Zn -","- C38 H28 N10 S2 Zn -","- C152 H112 N40 S8 Zn4 -","4","1","","Lakhloufi, S.; Lemée-Cailleau, M H; Chastanet, G.; Rosa, P.; Daro, N.; Guionneau, P.","Structural movies of the gradual spin-crossover in a molecular complex at various physical scales.","Physical chemistry chemical physics : PCCP","2016","18","40","28307","28315","10.1039/c6cp04987g","","","0.71073","MoKα","","0.048","0.043","","","0.1128","0.1163","","","","","","1.083","","","","has coordinates","188317","2020-10-21","18:00:00",""
"1544082","15.1103","0.0011","14.4939","0.0012","17.0017","0.0008","90","","93.063","0.004","90","","3718.2","0.4","260","2","260","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","bis(N-(2-Pyridylmethylene)-4-(phenylazo)aniline)-diisothiocyanato-iron(ii)","","- C38 H28 Fe N10 S2 -","- C38 H28 Fe N10 S2 -","- C152 H112 Fe4 N40 S8 -","4","1","","Lakhloufi, S.; Lemée-Cailleau, M H; Chastanet, G.; Rosa, P.; Daro, N.; Guionneau, P.","Structural movies of the gradual spin-crossover in a molecular complex at various physical scales.","Physical chemistry chemical physics : PCCP","2016","18","40","28307","28315","10.1039/c6cp04987g","","","0.71073","MoKα","","0.0532","0.0364","","","0.0796","0.0869","","","","","","1.047","","","","has coordinates","188317","2020-10-21","18:00:00",""
"1544083","15.1196","0.0007","14.5444","0.001","17.023","0.0011","90","","92.966","0.004","90","","3738.4","0.4","285","2","285","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","bis(N-(2-Pyridylmethylene)-4-(phenylazo)aniline)-diisothiocyanato-iron(ii)","","- C38 H28 Fe N10 S2 -","- C38 H28 Fe N10 S2 -","- C152 H112 Fe4 N40 S8 -","4","1","","Lakhloufi, S.; Lemée-Cailleau, M H; Chastanet, G.; Rosa, P.; Daro, N.; Guionneau, P.","Structural movies of the gradual spin-crossover in a molecular complex at various physical scales.","Physical chemistry chemical physics : PCCP","2016","18","40","28307","28315","10.1039/c6cp04987g","","","0.71073","MoKα","","0.0561","0.0379","","","0.0789","0.0869","","","","","","1.037","","","","has coordinates","188317","2020-10-21","18:00:00",""
"1544084","15.0918","0.0006","14.2146","0.0009","17.1441","0.001","90","","94.286","0.003","90","","3667.5","0.3","110","2","110","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","bis(N-(2-Pyridylmethylene)-4-(phenylazo)aniline)-diisothiocyanato-zinc(ii)","","- C38 H28 N10 S2 Zn -","- C38 H28 N10 S2 Zn -","- C152 H112 N40 S8 Zn4 -","4","1","","Lakhloufi, S.; Lemée-Cailleau, M H; Chastanet, G.; Rosa, P.; Daro, N.; Guionneau, P.","Structural movies of the gradual spin-crossover in a molecular complex at various physical scales.","Physical chemistry chemical physics : PCCP","2016","18","40","28307","28315","10.1039/c6cp04987g","","","0.71073","MoKα","","0.0463","0.0423","","","0.1044","0.1069","","","","","","1.06","","","","has coordinates","188317","2020-10-21","18:00:00",""
"1544085","15.097","0.0006","14.3013","0.0009","17.1496","0.0011","90","","94.136","0.004","90","","3693.1","0.4","160","2","160","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","bis(N-(2-Pyridylmethylene)-4-(phenylazo)aniline)-diisothiocyanato-zinc(ii)","","- C38 H28 N10 S2 Zn -","- C38 H28 N10 S2 Zn -","- C152 H112 N40 S8 Zn4 -","4","1","","Lakhloufi, S.; Lemée-Cailleau, M H; Chastanet, G.; Rosa, P.; Daro, N.; Guionneau, P.","Structural movies of the gradual spin-crossover in a molecular complex at various physical scales.","Physical chemistry chemical physics : PCCP","2016","18","40","28307","28315","10.1039/c6cp04987g","","","0.71073","MoKα","","0.0513","0.0446","","","0.1185","0.1234","","","","","","1.053","","","","has coordinates","188317","2020-10-21","18:00:00",""
"1544086","15.094","0.0006","14.2636","0.0009","17.1499","0.0011","90","","94.206","0.003","90","","3682.3","0.4","140","2","140","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","bis(N-(2-Pyridylmethylene)-4-(phenylazo)aniline)-diisothiocyanato-zinc(ii)","","- C38 H28 N10 S2 Zn -","- C38 H28 N10 S2 Zn -","- C152 H112 N40 S8 Zn4 -","4","1","","Lakhloufi, S.; Lemée-Cailleau, M H; Chastanet, G.; Rosa, P.; Daro, N.; Guionneau, P.","Structural movies of the gradual spin-crossover in a molecular complex at various physical scales.","Physical chemistry chemical physics : PCCP","2016","18","40","28307","28315","10.1039/c6cp04987g","","","0.71073","MoKα","","0.0488","0.0431","","","0.1083","0.1119","","","","","","1.06","","","","has coordinates","188317","2020-10-21","18:00:00",""
"1544087","15.0958","0.0006","14.2842","0.0009","17.1476","0.0011","90","","94.159","0.003","90","","3687.8","0.4","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","bis(N-(2-Pyridylmethylene)-4-(phenylazo)aniline)-diisothiocyanato-zinc(ii)","","- C38 H28 N10 S2 Zn -","- C38 H28 N10 S2 Zn -","- C152 H112 N40 S8 Zn4 -","4","1","","Lakhloufi, S.; Lemée-Cailleau, M H; Chastanet, G.; Rosa, P.; Daro, N.; Guionneau, P.","Structural movies of the gradual spin-crossover in a molecular complex at various physical scales.","Physical chemistry chemical physics : PCCP","2016","18","40","28307","28315","10.1039/c6cp04987g","","","0.71073","MoKα","","0.0497","0.0437","","","0.1169","0.1212","","","","","","1.067","","","","has coordinates","188317","2020-10-21","18:00:00",""
"1544088","15.1034","0.0006","14.3594","0.001","17.1456","0.0011","90","","94.006","0.004","90","","3709.4","0.4","190","2","190","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","bis(N-(2-Pyridylmethylene)-4-(phenylazo)aniline)-diisothiocyanato-zinc(ii)","","- C38 H28 N10 S2 Zn -","- C38 H28 N10 S2 Zn -","- C152 H112 N40 S8 Zn4 -","4","1","","Lakhloufi, S.; Lemée-Cailleau, M H; Chastanet, G.; Rosa, P.; Daro, N.; Guionneau, P.","Structural movies of the gradual spin-crossover in a molecular complex at various physical scales.","Physical chemistry chemical physics : PCCP","2016","18","40","28307","28315","10.1039/c6cp04987g","","","0.71073","MoKα","","0.0548","0.0464","","","0.1233","0.1292","","","","","","1.058","","","","has coordinates","188317","2020-10-21","18:00:00",""
"1544089","15.0995","0.0006","14.3215","0.001","17.1475","0.0011","90","","94.087","0.004","90","","3698.7","0.4","170","2","170","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","bis(N-(2-Pyridylmethylene)-4-(phenylazo)aniline)-diisothiocyanato-zinc(ii)","","- C38 H28 N10 S2 Zn -","- C38 H28 N10 S2 Zn -","- C152 H112 N40 S8 Zn4 -","4","1","","Lakhloufi, S.; Lemée-Cailleau, M H; Chastanet, G.; Rosa, P.; Daro, N.; Guionneau, P.","Structural movies of the gradual spin-crossover in a molecular complex at various physical scales.","Physical chemistry chemical physics : PCCP","2016","18","40","28307","28315","10.1039/c6cp04987g","","","0.71073","MoKα","","0.0525","0.045","","","0.1197","0.1249","","","","","","1.051","","","","has coordinates","188317","2020-10-21","18:00:00",""
"1544090","15.1239","0.0007","14.5665","0.001","17.0273","0.0011","90","","92.929","0.004","90","","3746.3","0.4","295","2","295","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","bis(N-(2-Pyridylmethylene)-4-(phenylazo)aniline)-diisothiocyanato-iron(ii)","","- C38 H28 Fe N10 S2 -","- C38 H28 Fe N10 S2 -","- C152 H112 Fe4 N40 S8 -","4","1","","Lakhloufi, S.; Lemée-Cailleau, M H; Chastanet, G.; Rosa, P.; Daro, N.; Guionneau, P.","Structural movies of the gradual spin-crossover in a molecular complex at various physical scales.","Physical chemistry chemical physics : PCCP","2016","18","40","28307","28315","10.1039/c6cp04987g","","","0.71073","MoKα","","0.0657","0.0421","","","0.0822","0.092","","","","","","1.032","","","","has coordinates","188317","2020-10-21","18:00:00",""
"1544091","15.1158","0.0007","14.507","0.0009","17.0102","0.0011","90","","93.051","0.004","90","","3724.8","0.4","265","2","265","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","bis(N-(2-Pyridylmethylene)-4-(phenylazo)aniline)-diisothiocyanato-iron(ii)","","- C38 H28 Fe N10 S2 -","- C38 H28 Fe N10 S2 -","- C152 H112 Fe4 N40 S8 -","4","1","","Lakhloufi, S.; Lemée-Cailleau, M H; Chastanet, G.; Rosa, P.; Daro, N.; Guionneau, P.","Structural movies of the gradual spin-crossover in a molecular complex at various physical scales.","Physical chemistry chemical physics : PCCP","2016","18","40","28307","28315","10.1039/c6cp04987g","","","0.71073","MoKα","","0.053","0.036","","","0.0794","0.0874","","","","","","1.037","","","","has coordinates","188317","2020-10-21","18:00:00",""
"1544092","15.1104","0.0007","14.4217","0.001","17.1457","0.0012","90","","93.883","0.004","90","","3727.8","0.4","220","2","220","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","bis(N-(2-Pyridylmethylene)-4-(phenylazo)aniline)-diisothiocyanato-zinc(ii)","","- C38 H28 N10 S2 Zn -","- C38 H28 N10 S2 Zn -","- C152 H112 N40 S8 Zn4 -","4","1","","Lakhloufi, S.; Lemée-Cailleau, M H; Chastanet, G.; Rosa, P.; Daro, N.; Guionneau, P.","Structural movies of the gradual spin-crossover in a molecular complex at various physical scales.","Physical chemistry chemical physics : PCCP","2016","18","40","28307","28315","10.1039/c6cp04987g","","","0.71073","MoKα","","0.0585","0.0468","","","0.116","0.124","","","","","","1.046","","","","has coordinates","188317","2020-10-21","18:00:00",""
"1544093","15.1213","0.0007","14.5553","0.001","17.0282","0.0011","90","","92.945","0.004","90","","3742.9","0.4","290","2","290","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","bis(N-(2-Pyridylmethylene)-4-(phenylazo)aniline)-diisothiocyanato-iron(ii)","","- C38 H28 Fe N10 S2 -","- C38 H28 Fe N10 S2 -","- C152 H112 Fe4 N40 S8 -","4","1","","Lakhloufi, S.; Lemée-Cailleau, M H; Chastanet, G.; Rosa, P.; Daro, N.; Guionneau, P.","Structural movies of the gradual spin-crossover in a molecular complex at various physical scales.","Physical chemistry chemical physics : PCCP","2016","18","40","28307","28315","10.1039/c6cp04987g","","","0.71073","MoKα","","0.0548","0.0375","","","0.0807","0.0888","","","","","","1.029","","","","has coordinates","188317","2020-10-21","18:00:00",""
"1544094","15.1221","0.0007","14.5091","0.0011","17.1448","0.0013","90","","93.707","0.004","90","","3753.8","0.4","260","2","260","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","bis(N-(2-Pyridylmethylene)-4-(phenylazo)aniline)-diisothiocyanato-zinc(ii)","","- C38 H28 N10 S2 Zn -","- C38 H28 N10 S2 Zn -","- C152 H112 N40 S8 Zn4 -","4","1","","Lakhloufi, S.; Lemée-Cailleau, M H; Chastanet, G.; Rosa, P.; Daro, N.; Guionneau, P.","Structural movies of the gradual spin-crossover in a molecular complex at various physical scales.","Physical chemistry chemical physics : PCCP","2016","18","40","28307","28315","10.1039/c6cp04987g","","","0.71073","MoKα","","0.0635","0.0484","","","0.1251","0.1352","","","","","","1.071","","","","has coordinates","188317","2020-10-21","18:00:00",""
"1544095","15.1005","0.0006","14.3391","0.001","17.147","0.0011","90","","94.05","0.004","90","","3703.5","0.4","180","2","180","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","bis(N-(2-Pyridylmethylene)-4-(phenylazo)aniline)-diisothiocyanato-zinc(ii)","","- C38 H28 N10 S2 Zn -","- C38 H28 N10 S2 Zn -","- C152 H112 N40 S8 Zn4 -","4","1","","Lakhloufi, S.; Lemée-Cailleau, M H; Chastanet, G.; Rosa, P.; Daro, N.; Guionneau, P.","Structural movies of the gradual spin-crossover in a molecular complex at various physical scales.","Physical chemistry chemical physics : PCCP","2016","18","40","28307","28315","10.1039/c6cp04987g","","","0.71073","MoKα","","0.0532","0.0451","","","0.1167","0.1223","","","","","","1.039","","","","has coordinates","188317","2020-10-21","18:00:00",""
"1544096","15.117","0.0007","14.4666","0.001","17.1452","0.0012","90","","93.793","0.004","90","","3741.3","0.4","240","2","240","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","bis(N-(2-Pyridylmethylene)-4-(phenylazo)aniline)-diisothiocyanato-zinc(ii)","","- C38 H28 N10 S2 Zn -","- C38 H28 N10 S2 Zn -","- C152 H112 N40 S8 Zn4 -","4","1","","Lakhloufi, S.; Lemée-Cailleau, M H; Chastanet, G.; Rosa, P.; Daro, N.; Guionneau, P.","Structural movies of the gradual spin-crossover in a molecular complex at various physical scales.","Physical chemistry chemical physics : PCCP","2016","18","40","28307","28315","10.1039/c6cp04987g","","","0.71073","MoKα","","0.0717","0.0503","","","0.1274","0.1409","","","","","","1.018","","","","has coordinates","188317","2020-10-21","18:00:00",""
"1544097","15.1281","0.0007","14.555","0.0011","17.1464","0.0013","90","","93.621","0.004","90","","3767.9","0.4","280","2","280","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","bis(N-(2-Pyridylmethylene)-4-(phenylazo)aniline)-diisothiocyanato-zinc(ii)","","- C38 H28 N10 S2 Zn -","- C38 H28 N10 S2 Zn -","- C152 H112 N40 S8 Zn4 -","4","1","","Lakhloufi, S.; Lemée-Cailleau, M H; Chastanet, G.; Rosa, P.; Daro, N.; Guionneau, P.","Structural movies of the gradual spin-crossover in a molecular complex at various physical scales.","Physical chemistry chemical physics : PCCP","2016","18","40","28307","28315","10.1039/c6cp04987g","","","0.71073","MoKα","","0.0635","0.0468","","","0.1132","0.1231","","","","","","1.035","","","","has coordinates","188317","2020-10-21","18:00:00",""
"1544098","15.1251","0.0008","14.5335","0.0012","17.1467","0.0015","90","","93.657","0.005","90","","3761.5","0.5","270","2","270","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","bis(N-(2-Pyridylmethylene)-4-(phenylazo)aniline)-diisothiocyanato-zinc(ii)","","- C38 H28 N10 S2 Zn -","- C38 H28 N10 S2 Zn -","- C152 H112 N40 S8 Zn4 -","4","1","","Lakhloufi, S.; Lemée-Cailleau, M H; Chastanet, G.; Rosa, P.; Daro, N.; Guionneau, P.","Structural movies of the gradual spin-crossover in a molecular complex at various physical scales.","Physical chemistry chemical physics : PCCP","2016","18","40","28307","28315","10.1039/c6cp04987g","","","0.71073","MoKα","","0.0743","0.0501","","","0.1238","0.137","","","","","","1.033","","","","has coordinates","188317","2020-10-21","18:00:00",""
"1544099","15.092","0.0006","14.2288","0.0009","17.1508","0.001","90","","94.277","0.003","90","","3672.7","0.3","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","bis(N-(2-Pyridylmethylene)-4-(phenylazo)aniline)-diisothiocyanato-zinc(ii)","","- C38 H28 N10 S2 Zn -","- C38 H28 N10 S2 Zn -","- C152 H112 N40 S8 Zn4 -","4","1","","Lakhloufi, S.; Lemée-Cailleau, M H; Chastanet, G.; Rosa, P.; Daro, N.; Guionneau, P.","Structural movies of the gradual spin-crossover in a molecular complex at various physical scales.","Physical chemistry chemical physics : PCCP","2016","18","40","28307","28315","10.1039/c6cp04987g","","","0.71073","MoKα","","0.0465","0.0422","","","0.1077","0.1105","","","","","","1.087","","","","has coordinates","188317","2020-10-21","18:00:00",""
"1544100","15.1195","0.0007","14.4879","0.0011","17.1458","0.0013","90","","93.756","0.004","90","","3747.7","0.4","250","2","250","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","bis(N-(2-Pyridylmethylene)-4-(phenylazo)aniline)-diisothiocyanato-zinc(ii)","","- C38 H28 N10 S2 Zn -","- C38 H28 N10 S2 Zn -","- C152 H112 N40 S8 Zn4 -","4","1","","Lakhloufi, S.; Lemée-Cailleau, M H; Chastanet, G.; Rosa, P.; Daro, N.; Guionneau, P.","Structural movies of the gradual spin-crossover in a molecular complex at various physical scales.","Physical chemistry chemical physics : PCCP","2016","18","40","28307","28315","10.1039/c6cp04987g","","","0.71073","MoKα","","0.072","0.0571","","","0.1567","0.169","","","","","","1.054","","","","has coordinates","188317","2020-10-21","18:00:00",""
"1544101","15.13","0.0008","14.5806","0.0013","17.1485","0.0016","90","","93.558","0.005","90","","3775.7","0.5","290","2","290","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","bis(N-(2-Pyridylmethylene)-4-(phenylazo)aniline)-diisothiocyanato-zinc(ii)","","- C38 H28 N10 S2 Zn -","- C38 H28 N10 S2 Zn -","- C152 H112 N40 S8 Zn4 -","4","1","","Lakhloufi, S.; Lemée-Cailleau, M H; Chastanet, G.; Rosa, P.; Daro, N.; Guionneau, P.","Structural movies of the gradual spin-crossover in a molecular complex at various physical scales.","Physical chemistry chemical physics : PCCP","2016","18","40","28307","28315","10.1039/c6cp04987g","","","0.71073","MoKα","","0.0809","0.0504","","","0.1164","0.1323","","","","","","1.044","","","","has coordinates","188317","2020-10-21","18:00:00",""
"1544102","15.1135","0.0007","14.4437","0.001","17.1447","0.0012","90","","93.836","0.004","90","","3734.2","0.4","230","2","230","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","bis(N-(2-Pyridylmethylene)-4-(phenylazo)aniline)-diisothiocyanato-zinc(ii)","","- C38 H28 N10 S2 Zn -","- C38 H28 N10 S2 Zn -","- C152 H112 N40 S8 Zn4 -","4","1","","Lakhloufi, S.; Lemée-Cailleau, M H; Chastanet, G.; Rosa, P.; Daro, N.; Guionneau, P.","Structural movies of the gradual spin-crossover in a molecular complex at various physical scales.","Physical chemistry chemical physics : PCCP","2016","18","40","28307","28315","10.1039/c6cp04987g","","","0.71073","MoKα","","0.0589","0.0475","","","0.1253","0.133","","","","","","1.048","","","","has coordinates","188317","2020-10-21","18:00:00",""
"1544103","15.1082","0.0007","14.4006","0.001","17.1451","0.0012","90","","93.924","0.004","90","","3721.5","0.4","210","2","210","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","bis(N-(2-Pyridylmethylene)-4-(phenylazo)aniline)-diisothiocyanato-zinc(ii)","","- C38 H28 N10 S2 Zn -","- C38 H28 N10 S2 Zn -","- C152 H112 N40 S8 Zn4 -","4","1","","Lakhloufi, S.; Lemée-Cailleau, M H; Chastanet, G.; Rosa, P.; Daro, N.; Guionneau, P.","Structural movies of the gradual spin-crossover in a molecular complex at various physical scales.","Physical chemistry chemical physics : PCCP","2016","18","40","28307","28315","10.1039/c6cp04987g","","","0.71073","MoKα","","0.0579","0.0477","","","0.1269","0.1341","","","","","","1.064","","","","has coordinates","188317","2020-10-21","18:00:00",""
"1544104","15.1058","0.0007","14.379","0.001","17.1457","0.0012","90","","93.973","0.004","90","","3715.2","0.4","200","2","200","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","bis(N-(2-Pyridylmethylene)-4-(phenylazo)aniline)-diisothiocyanato-zinc(ii)","","- C38 H28 N10 S2 Zn -","- C38 H28 N10 S2 Zn -","- C152 H112 N40 S8 Zn4 -","4","1","","Lakhloufi, S.; Lemée-Cailleau, M H; Chastanet, G.; Rosa, P.; Daro, N.; Guionneau, P.","Structural movies of the gradual spin-crossover in a molecular complex at various physical scales.","Physical chemistry chemical physics : PCCP","2016","18","40","28307","28315","10.1039/c6cp04987g","","","0.71073","MoKα","","0.0558","0.0467","","","0.1203","0.1265","","","","","","1.057","","","","has coordinates","188317","2020-10-21","18:00:00",""
"1544105","15.0064","0.0008","14.3397","0.0011","16.6293","0.0013","90","","92.918","0.005","90","","3573.8","0.4","105","2","105","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","bis(N-(2-Pyridylmethylene)-4-(phenylazo)aniline)-diisothiocyanato-iron(ii)","","- C38 H28 Fe N10 S2 -","- C38 H28 Fe N10 S2 -","- C152 H112 Fe4 N40 S8 -","4","1","","Lakhloufi, S.; Lemée-Cailleau, M H; Chastanet, G.; Rosa, P.; Daro, N.; Guionneau, P.","Structural movies of the gradual spin-crossover in a molecular complex at various physical scales.","Physical chemistry chemical physics : PCCP","2016","18","40","28307","28315","10.1039/c6cp04987g","","","0.71073","MoKα","","0.0359","0.0286","","","0.0661","0.0697","","","","","","1.022","","","","has coordinates","188317","2020-10-21","18:00:00",""
"1544106","14.9984","0.0009","14.3524","0.001","16.635","0.0006","90","","92.822","0.003","90","","3576.6","0.4","110","2","110","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","bis(N-(2-Pyridylmethylene)-4-(phenylazo)aniline)-diisothiocyanato-iron(ii)","","- C38 H28 Fe N10 S2 -","- C38 H28 Fe N10 S2 -","- C152 H112 Fe4 N40 S8 -","4","1","","Lakhloufi, S.; Lemée-Cailleau, M H; Chastanet, G.; Rosa, P.; Daro, N.; Guionneau, P.","Structural movies of the gradual spin-crossover in a molecular complex at various physical scales.","Physical chemistry chemical physics : PCCP","2016","18","40","28307","28315","10.1039/c6cp04987g","","","0.71073","MoKα","","0.0332","0.0277","","","0.0661","0.0689","","","","","","1.04","","","","has coordinates","188317","2020-10-21","18:00:00",""
"1544107","15.0133","0.0008","14.3893","0.0011","16.6664","0.0012","90","","92.825","0.004","90","","3596.1","0.4","145","2","145","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","bis(N-(2-Pyridylmethylene)-4-(phenylazo)aniline)-diisothiocyanato-iron(ii)","","- C38 H28 Fe N10 S2 -","- C38 H28 Fe N10 S2 -","- C152 H112 Fe4 N40 S8 -","4","1","","Lakhloufi, S.; Lemée-Cailleau, M H; Chastanet, G.; Rosa, P.; Daro, N.; Guionneau, P.","Structural movies of the gradual spin-crossover in a molecular complex at various physical scales.","Physical chemistry chemical physics : PCCP","2016","18","40","28307","28315","10.1039/c6cp04987g","","","0.71073","MoKα","","0.039","0.0306","","","0.0678","0.0715","","","","","","1.026","","","","has coordinates","188317","2020-10-21","18:00:00",""
"1544108","15.0068","0.0009","14.35","0.0012","16.6364","0.0014","90","","92.859","0.005","90","","3578.1","0.5","115","2","115","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","bis(N-(2-Pyridylmethylene)-4-(phenylazo)aniline)-diisothiocyanato-iron(ii)","","- C38 H28 Fe N10 S2 -","- C38 H28 Fe N10 S2 -","- C152 H112 Fe4 N40 S8 -","4","1","","Lakhloufi, S.; Lemée-Cailleau, M H; Chastanet, G.; Rosa, P.; Daro, N.; Guionneau, P.","Structural movies of the gradual spin-crossover in a molecular complex at various physical scales.","Physical chemistry chemical physics : PCCP","2016","18","40","28307","28315","10.1039/c6cp04987g","","","0.71073","MoKα","","0.0386","0.0302","","","0.0702","0.0744","","","","","","1.03","","","","has coordinates","188317","2020-10-21","18:00:00",""
"1544109","15.007","0.0008","14.3657","0.001","16.6511","0.0012","90","","92.856","0.004","90","","3585.3","0.4","125","2","125","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","bis(N-(2-Pyridylmethylene)-4-(phenylazo)aniline)-diisothiocyanato-iron(ii)","","- C38 H28 Fe N10 S2 -","- C38 H28 Fe N10 S2 -","- C152 H112 Fe4 N40 S8 -","4","1","","Lakhloufi, S.; Lemée-Cailleau, M H; Chastanet, G.; Rosa, P.; Daro, N.; Guionneau, P.","Structural movies of the gradual spin-crossover in a molecular complex at various physical scales.","Physical chemistry chemical physics : PCCP","2016","18","40","28307","28315","10.1039/c6cp04987g","","","0.71073","MoKα","","0.0374","0.0292","","","0.0659","0.0699","","","","","","1.026","","","","has coordinates","188317","2020-10-21","18:00:00",""
"1544110","15.0091","0.0009","14.3725","0.0012","16.6495","0.0014","90","","92.839","0.005","90","","3587.2","0.5","135","2","135","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","bis(N-(2-Pyridylmethylene)-4-(phenylazo)aniline)-diisothiocyanato-iron(ii)","","- C38 H28 Fe N10 S2 -","- C38 H28 Fe N10 S2 -","- C152 H112 Fe4 N40 S8 -","4","1","","Lakhloufi, S.; Lemée-Cailleau, M H; Chastanet, G.; Rosa, P.; Daro, N.; Guionneau, P.","Structural movies of the gradual spin-crossover in a molecular complex at various physical scales.","Physical chemistry chemical physics : PCCP","2016","18","40","28307","28315","10.1039/c6cp04987g","","","0.71073","MoKα","","0.0386","0.0301","","","0.0682","0.0725","","","","","","1.015","","","","has coordinates","188317","2020-10-21","18:00:00",""
"1544111","15.0119","0.0011","14.3903","0.0011","16.6678","0.0008","90","","92.793","0.004","90","","3596.4","0.4","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","bis(N-(2-Pyridylmethylene)-4-(phenylazo)aniline)-diisothiocyanato-iron(ii)","","- C38 H28 Fe N10 S2 -","- C38 H28 Fe N10 S2 -","- C152 H112 Fe4 N40 S8 -","4","1","","Lakhloufi, S.; Lemée-Cailleau, M H; Chastanet, G.; Rosa, P.; Daro, N.; Guionneau, P.","Structural movies of the gradual spin-crossover in a molecular complex at various physical scales.","Physical chemistry chemical physics : PCCP","2016","18","40","28307","28315","10.1039/c6cp04987g","","","0.71073","MoKα","","0.0348","0.0273","","","0.0651","0.0689","","","","","","1.012","","","","has coordinates","188317","2020-10-21","18:00:00",""
"1544112","15.0171","0.0009","14.3939","0.0012","16.6705","0.0014","90","","92.807","0.005","90","","3599.1","0.5","155","2","155","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C38 H28 Fe N10 S2 -","- C38 H28 Fe N10 S2 -","- C152 H112 Fe4 N40 S8 -","4","1","","Lakhloufi, S.; Lemée-Cailleau, M H; Chastanet, G.; Rosa, P.; Daro, N.; Guionneau, P.","Structural movies of the gradual spin-crossover in a molecular complex at various physical scales.","Physical chemistry chemical physics : PCCP","2016","18","40","28307","28315","10.1039/c6cp04987g","","","0.71073","MoKα","","0.0427","0.0327","","","0.0727","0.0773","","","","","","1.026","","","","has coordinates","188317","2020-10-21","18:00:00",""
"1544113","15.009","0.0011","14.3641","0.0011","16.6475","0.0007","90","","92.803","0.004","90","","3584.8","0.4","130","2","130","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","bis(N-(2-Pyridylmethylene)-4-(phenylazo)aniline)-diisothiocyanato-iron(ii)","","- C38 H28 Fe N10 S2 -","- C38 H28 Fe N10 S2 -","- C152 H112 Fe4 N40 S8 -","4","1","","Lakhloufi, S.; Lemée-Cailleau, M H; Chastanet, G.; Rosa, P.; Daro, N.; Guionneau, P.","Structural movies of the gradual spin-crossover in a molecular complex at various physical scales.","Physical chemistry chemical physics : PCCP","2016","18","40","28307","28315","10.1039/c6cp04987g","","","0.71073","MoKα","","0.0328","0.0263","","","0.0619","0.065","","","","","","1.033","","","","has coordinates","188317","2020-10-21","18:00:00",""
"1544114","15.0178","0.001","14.4001","0.001","16.6809","0.0007","90","","92.794","0.004","90","","3603.1","0.4","160","2","160","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","bis(N-(2-Pyridylmethylene)-4-(phenylazo)aniline)-diisothiocyanato-iron(ii)","","- C38 H28 Fe N10 S2 -","- C38 H28 Fe N10 S2 -","- C152 H112 Fe4 N40 S8 -","4","1","","Lakhloufi, S.; Lemée-Cailleau, M H; Chastanet, G.; Rosa, P.; Daro, N.; Guionneau, P.","Structural movies of the gradual spin-crossover in a molecular complex at various physical scales.","Physical chemistry chemical physics : PCCP","2016","18","40","28307","28315","10.1039/c6cp04987g","","","0.71073","MoKα","","0.0366","0.0285","","","0.0653","0.0695","","","","","","1.041","","","","has coordinates","188317","2020-10-21","18:00:00",""
"1544115","15.0534","0.0008","14.4184","0.001","16.7682","0.0012","90","","92.865","0.004","90","","3634.9","0.4","185","2","185","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","bis(N-(2-Pyridylmethylene)-4-(phenylazo)aniline)-diisothiocyanato-iron(ii)","","- C38 H28 Fe N10 S2 -","- C38 H28 Fe N10 S2 -","- C152 H112 Fe4 N40 S8 -","4","1","","Lakhloufi, S.; Lemée-Cailleau, M H; Chastanet, G.; Rosa, P.; Daro, N.; Guionneau, P.","Structural movies of the gradual spin-crossover in a molecular complex at various physical scales.","Physical chemistry chemical physics : PCCP","2016","18","40","28307","28315","10.1039/c6cp04987g","","","0.71073","MoKα","","0.0486","0.0358","","","0.0791","0.0854","","","","","","1.023","","","","has coordinates","188317","2020-10-21","18:00:00",""
"1544116","15.08","0.0007","14.4253","0.0009","16.8673","0.0011","90","","92.994","0.003","90","","3664.2","0.4","205","2","205","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","bis(N-(2-Pyridylmethylene)-4-(phenylazo)aniline)-diisothiocyanato-iron(ii)","","- C38 H28 Fe N10 S2 -","- C38 H28 Fe N10 S2 -","- C152 H112 Fe4 N40 S8 -","4","1","","Lakhloufi, S.; Lemée-Cailleau, M H; Chastanet, G.; Rosa, P.; Daro, N.; Guionneau, P.","Structural movies of the gradual spin-crossover in a molecular complex at various physical scales.","Physical chemistry chemical physics : PCCP","2016","18","40","28307","28315","10.1039/c6cp04987g","","","0.71073","MoKα","","0.0472","0.0343","","","0.0749","0.0814","","","","","","1.034","","","","has coordinates","188317","2020-10-21","18:00:00",""
"1544117","15.0821","0.0011","14.4302","0.0011","16.8916","0.0007","90","","93.026","0.004","90","","3671.1","0.4","210","2","210","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","bis(N-(2-Pyridylmethylene)-4-(phenylazo)aniline)-diisothiocyanato-iron(ii)","","- C38 H28 Fe N10 S2 -","- C38 H28 Fe N10 S2 -","- C152 H112 Fe4 N40 S8 -","4","1","","Lakhloufi, S.; Lemée-Cailleau, M H; Chastanet, G.; Rosa, P.; Daro, N.; Guionneau, P.","Structural movies of the gradual spin-crossover in a molecular complex at various physical scales.","Physical chemistry chemical physics : PCCP","2016","18","40","28307","28315","10.1039/c6cp04987g","","","0.71073","MoKα","","0.0469","0.034","","","0.0778","0.084","","","","","","1.028","","","","has coordinates","188317","2020-10-21","18:00:00",""
"1544118","15.0294","0.0011","14.4106","0.0011","16.7098","0.0007","90","","92.796","0.004","90","","3614.7","0.4","170","2","170","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","bis(N-(2-Pyridylmethylene)-4-(phenylazo)aniline)-diisothiocyanato-iron(ii)","","- C38 H28 Fe N10 S2 -","- C38 H28 Fe N10 S2 -","- C152 H112 Fe4 N40 S8 -","4","1","","Lakhloufi, S.; Lemée-Cailleau, M H; Chastanet, G.; Rosa, P.; Daro, N.; Guionneau, P.","Structural movies of the gradual spin-crossover in a molecular complex at various physical scales.","Physical chemistry chemical physics : PCCP","2016","18","40","28307","28315","10.1039/c6cp04987g","","","0.71073","MoKα","","0.0387","0.0298","","","0.07","0.0743","","","","","","1.025","","","","has coordinates","188317","2020-10-21","18:00:00",""
"1544119","15.0368","0.0009","14.4119","0.0012","16.7208","0.0014","90","","92.815","0.005","90","","3619.2","0.5","175","2","175","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","bis(N-(2-Pyridylmethylene)-4-(phenylazo)aniline)-diisothiocyanato-iron(ii)","","- C38 H28 Fe N10 S2 -","- C38 H28 Fe N10 S2 -","- C152 H112 Fe4 N40 S8 -","4","1","","Lakhloufi, S.; Lemée-Cailleau, M H; Chastanet, G.; Rosa, P.; Daro, N.; Guionneau, P.","Structural movies of the gradual spin-crossover in a molecular complex at various physical scales.","Physical chemistry chemical physics : PCCP","2016","18","40","28307","28315","10.1039/c6cp04987g","","","0.71073","MoKα","","0.0469","0.0348","","","0.0773","0.0832","","","","","","1.047","","","","has coordinates","188317","2020-10-21","18:00:00",""
"1544120","15.0266","0.0008","14.4078","0.0011","16.6985","0.0013","90","","92.813","0.004","90","","3610.9","0.4","165","2","165","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","bis(N-(2-Pyridylmethylene)-4-(phenylazo)aniline)-diisothiocyanato-iron(ii)","","- C38 H28 Fe N10 S2 -","- C38 H28 Fe N10 S2 -","- C152 H112 Fe4 N40 S8 -","4","1","","Lakhloufi, S.; Lemée-Cailleau, M H; Chastanet, G.; Rosa, P.; Daro, N.; Guionneau, P.","Structural movies of the gradual spin-crossover in a molecular complex at various physical scales.","Physical chemistry chemical physics : PCCP","2016","18","40","28307","28315","10.1039/c6cp04987g","","","0.71073","MoKα","","0.0428","0.0333","","","0.0746","0.0793","","","","","","1.028","","","","has coordinates","188317","2020-10-21","18:00:00",""
"1544121","15.0861","0.0011","14.4369","0.0011","16.927","0.0007","90","","93.073","0.004","90","","3681.3","0.4","220","2","220","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","bis(N-(2-Pyridylmethylene)-4-(phenylazo)aniline)-diisothiocyanato-iron(ii)","","- C38 H28 Fe N10 S2 -","- C38 H28 Fe N10 S2 -","- C152 H112 Fe4 N40 S8 -","4","1","","Lakhloufi, S.; Lemée-Cailleau, M H; Chastanet, G.; Rosa, P.; Daro, N.; Guionneau, P.","Structural movies of the gradual spin-crossover in a molecular complex at various physical scales.","Physical chemistry chemical physics : PCCP","2016","18","40","28307","28315","10.1039/c6cp04987g","","","0.71073","MoKα","","0.0476","0.0339","","","0.0749","0.0809","","","","","","1.044","","","","has coordinates","188317","2020-10-21","18:00:00",""
"1544122","15.0406","0.001","14.4132","0.001","16.7432","0.0007","90","","92.832","0.003","90","","3625.2","0.4","180","2","180","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","bis(N-(2-Pyridylmethylene)-4-(phenylazo)aniline)-diisothiocyanato-iron(ii)","","- C38 H28 Fe N10 S2 -","- C38 H28 Fe N10 S2 -","- C152 H112 Fe4 N40 S8 -","4","1","","Lakhloufi, S.; Lemée-Cailleau, M H; Chastanet, G.; Rosa, P.; Daro, N.; Guionneau, P.","Structural movies of the gradual spin-crossover in a molecular complex at various physical scales.","Physical chemistry chemical physics : PCCP","2016","18","40","28307","28315","10.1039/c6cp04987g","","","0.71073","MoKα","","0.0412","0.0306","","","0.0697","0.0749","","","","","","1.03","","","","has coordinates","188317","2020-10-21","18:00:00",""
"1544123","15.1046","0.0011","14.4631","0.0011","16.9754","0.0008","90","","93.103","0.004","90","","3703","0.4","240","2","240","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","bis(N-(2-Pyridylmethylene)-4-(phenylazo)aniline)-diisothiocyanato-iron(ii)","","- C38 H28 Fe N10 S2 -","- C38 H28 Fe N10 S2 -","- C152 H112 Fe4 N40 S8 -","4","1","","Lakhloufi, S.; Lemée-Cailleau, M H; Chastanet, G.; Rosa, P.; Daro, N.; Guionneau, P.","Structural movies of the gradual spin-crossover in a molecular complex at various physical scales.","Physical chemistry chemical physics : PCCP","2016","18","40","28307","28315","10.1039/c6cp04987g","","","0.71073","MoKα","","0.0503","0.0351","","","0.0775","0.0841","","","","","","1.051","","","","has coordinates","188317","2020-10-21","18:00:00",""
"1544124","15.0984","0.0006","14.4452","0.0009","16.9444","0.001","90","","93.086","0.003","90","","3690.2","0.3","225","2","225","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","bis(N-(2-Pyridylmethylene)-4-(phenylazo)aniline)-diisothiocyanato-iron(ii)","","- C38 H28 Fe N10 S2 -","- C38 H28 Fe N10 S2 -","- C152 H112 Fe4 N40 S8 -","4","1","","Lakhloufi, S.; Lemée-Cailleau, M H; Chastanet, G.; Rosa, P.; Daro, N.; Guionneau, P.","Structural movies of the gradual spin-crossover in a molecular complex at various physical scales.","Physical chemistry chemical physics : PCCP","2016","18","40","28307","28315","10.1039/c6cp04987g","","","0.71073","MoKα","","0.0488","0.0349","","","0.075","0.0818","","","","","","1.035","","","","has coordinates","188317","2020-10-21","18:00:00",""
"1544125","15.0676","0.0007","14.4217","0.001","16.8187","0.0011","90","","92.929","0.004","90","","3649.9","0.4","195","2","195","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","bis(N-(2-Pyridylmethylene)-4-(phenylazo)aniline)-diisothiocyanato-iron(ii)","","- C38 H28 Fe N10 S2 -","- C38 H28 Fe N10 S2 -","- C152 H112 Fe4 N40 S8 -","4","1","","Lakhloufi, S.; Lemée-Cailleau, M H; Chastanet, G.; Rosa, P.; Daro, N.; Guionneau, P.","Structural movies of the gradual spin-crossover in a molecular complex at various physical scales.","Physical chemistry chemical physics : PCCP","2016","18","40","28307","28315","10.1039/c6cp04987g","","","0.71073","MoKα","","0.0512","0.0365","","","0.0779","0.0848","","","","","","1.024","","","","has coordinates","188317","2020-10-21","18:00:00",""
"1544126","15.1045","0.0007","14.4584","0.0009","16.9678","0.001","90","","93.103","0.004","90","","3700.1","0.4","235","2","235","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","bis(N-(2-Pyridylmethylene)-4-(phenylazo)aniline)-diisothiocyanato-iron(ii)","","- C38 H28 Fe N10 S2 -","- C38 H28 Fe N10 S2 -","- C152 H112 Fe4 N40 S8 -","4","1","","Lakhloufi, S.; Lemée-Cailleau, M H; Chastanet, G.; Rosa, P.; Daro, N.; Guionneau, P.","Structural movies of the gradual spin-crossover in a molecular complex at various physical scales.","Physical chemistry chemical physics : PCCP","2016","18","40","28307","28315","10.1039/c6cp04987g","","","0.71073","MoKα","","0.0566","0.0393","","","0.0798","0.0873","","","","","","1.043","","","","has coordinates","188317","2020-10-21","18:00:00",""
"1544127","15.1063","0.0011","14.4809","0.0011","16.9914","0.0008","90","","93.085","0.004","90","","3711.5","0.4","250","2","250","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","bis(N-(2-Pyridylmethylene)-4-(phenylazo)aniline)-diisothiocyanato-iron(ii)","","- C38 H28 Fe N10 S2 -","- C38 H28 Fe N10 S2 -","- C152 H112 Fe4 N40 S8 -","4","1","","Lakhloufi, S.; Lemée-Cailleau, M H; Chastanet, G.; Rosa, P.; Daro, N.; Guionneau, P.","Structural movies of the gradual spin-crossover in a molecular complex at various physical scales.","Physical chemistry chemical physics : PCCP","2016","18","40","28307","28315","10.1039/c6cp04987g","","","0.71073","MoKα","","0.0517","0.0353","","","0.0773","0.0847","","","","","","1.05","","","","has coordinates","188317","2020-10-21","18:00:00",""
"1544128","15.0902","0.0006","14.4342","0.0009","16.9112","0.001","90","","93.056","0.003","90","","3678.3","0.3","215","2","215","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","bis(N-(2-Pyridylmethylene)-4-(phenylazo)aniline)-diisothiocyanato-iron(ii)","","- C38 H28 Fe N10 S2 -","- C38 H28 Fe N10 S2 -","- C152 H112 Fe4 N40 S8 -","4","1","","Lakhloufi, S.; Lemée-Cailleau, M H; Chastanet, G.; Rosa, P.; Daro, N.; Guionneau, P.","Structural movies of the gradual spin-crossover in a molecular complex at various physical scales.","Physical chemistry chemical physics : PCCP","2016","18","40","28307","28315","10.1039/c6cp04987g","","","0.71073","MoKα","","0.0539","0.0381","","","0.0797","0.0872","","","","","","1.039","","","","has coordinates","188317","2020-10-21","18:00:00",""
"1544129","15.1127","0.0007","14.4897","0.0009","16.9969","0.001","90","","93.083","0.004","90","","3716.6","0.4","255","2","255","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","bis(N-(2-Pyridylmethylene)-4-(phenylazo)aniline)-diisothiocyanato-iron(ii)","","- C38 H28 Fe N10 S2 -","- C38 H28 Fe N10 S2 -","- C152 H112 Fe4 N40 S8 -","4","1","","Lakhloufi, S.; Lemée-Cailleau, M H; Chastanet, G.; Rosa, P.; Daro, N.; Guionneau, P.","Structural movies of the gradual spin-crossover in a molecular complex at various physical scales.","Physical chemistry chemical physics : PCCP","2016","18","40","28307","28315","10.1039/c6cp04987g","","","0.71073","MoKα","","0.0584","0.0389","","","0.0801","0.0895","","","","","","1.038","","","","has coordinates","188317","2020-10-21","18:00:00",""
"1544130","15.0573","0.001","14.42","0.001","16.7947","0.0007","90","","92.889","0.004","90","","3641.9","0.4","190","2","190","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","bis(N-(2-Pyridylmethylene)-4-(phenylazo)aniline)-diisothiocyanato-iron(ii)","","- C38 H28 Fe N10 S2 -","- C38 H28 Fe N10 S2 -","- C152 H112 Fe4 N40 S8 -","4","1","","Lakhloufi, S.; Lemée-Cailleau, M H; Chastanet, G.; Rosa, P.; Daro, N.; Guionneau, P.","Structural movies of the gradual spin-crossover in a molecular complex at various physical scales.","Physical chemistry chemical physics : PCCP","2016","18","40","28307","28315","10.1039/c6cp04987g","","","0.71073","MoKα","","0.0443","0.0326","","","0.0748","0.0806","","","","","","1.06","","","","has coordinates","188317","2020-10-21","18:00:00",""
"1544131","15.0961","0.0011","14.4493","0.0011","16.955","0.0007","90","","93.099","0.004","90","","3693","0.4","230","2","230","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","bis(N-(2-Pyridylmethylene)-4-(phenylazo)aniline)-diisothiocyanato-iron(ii)","","- C38 H28 Fe N10 S2 -","- C38 H28 Fe N10 S2 -","- C152 H112 Fe4 N40 S8 -","4","1","","Lakhloufi, S.; Lemée-Cailleau, M H; Chastanet, G.; Rosa, P.; Daro, N.; Guionneau, P.","Structural movies of the gradual spin-crossover in a molecular complex at various physical scales.","Physical chemistry chemical physics : PCCP","2016","18","40","28307","28315","10.1039/c6cp04987g","","","0.71073","MoKα","","0.0496","0.035","","","0.0778","0.0847","","","","","","1.032","","","","has coordinates","188317","2020-10-21","18:00:00",""
"1544132","15.1081","0.0007","14.4721","0.0009","16.9844","0.0011","90","","93.095","0.004","90","","3708.2","0.4","245","2","245","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","bis(N-(2-Pyridylmethylene)-4-(phenylazo)aniline)-diisothiocyanato-iron(ii)","","- C38 H28 Fe N10 S2 -","- C38 H28 Fe N10 S2 -","- C152 H112 Fe4 N40 S8 -","4","1","","Lakhloufi, S.; Lemée-Cailleau, M H; Chastanet, G.; Rosa, P.; Daro, N.; Guionneau, P.","Structural movies of the gradual spin-crossover in a molecular complex at various physical scales.","Physical chemistry chemical physics : PCCP","2016","18","40","28307","28315","10.1039/c6cp04987g","","","0.71073","MoKα","","0.0511","0.0359","","","0.0766","0.0843","","","","","","1.042","","","","has coordinates","188317","2020-10-21","18:00:00",""
"1544133","15.0713","0.001","14.4223","0.0011","16.8453","0.0007","90","","92.962","0.004","90","","3656.7","0.4","200","2","200","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","bis(N-(2-Pyridylmethylene)-4-(phenylazo)aniline)-diisothiocyanato-iron(ii)","","- C38 H28 Fe N10 S2 -","- C38 H28 Fe N10 S2 -","- C152 H112 Fe4 N40 S8 -","4","1","","Lakhloufi, S.; Lemée-Cailleau, M H; Chastanet, G.; Rosa, P.; Daro, N.; Guionneau, P.","Structural movies of the gradual spin-crossover in a molecular complex at various physical scales.","Physical chemistry chemical physics : PCCP","2016","18","40","28307","28315","10.1039/c6cp04987g","","","0.71073","MoKα","","0.0453","0.0329","","","0.0744","0.0802","","","","","","1.048","","","","has coordinates","188317","2020-10-21","18:00:00",""
"1544134","15.1186","0.0012","14.5293","0.0012","17.0171","0.0008","90","","93.012","0.004","90","","3732.9","0.5","280","2","280","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","bis(N-(2-Pyridylmethylene)-4-(phenylazo)aniline)-diisothiocyanato-iron(ii)","","- C38 H28 Fe N10 S2 -","- C38 H28 Fe N10 S2 -","- C152 H112 Fe4 N40 S8 -","4","1","","Lakhloufi, S.; Lemée-Cailleau, M H; Chastanet, G.; Rosa, P.; Daro, N.; Guionneau, P.","Structural movies of the gradual spin-crossover in a molecular complex at various physical scales.","Physical chemistry chemical physics : PCCP","2016","18","40","28307","28315","10.1039/c6cp04987g","","","0.71073","MoKα","","0.0554","0.0373","","","0.0763","0.0843","","","","","","1.051","","","","has coordinates","188317","2020-10-21","18:00:00",""
"1544135","12.2298","0.0013","7.6667","0.0008","17.9898","0.0014","90","","125.106","0.005","90","","1379.9","0.2","185","2","185","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C26 H20 F10 N4 Zn -","- C26 H20 F10 N4 Zn -","- C52 H40 F20 N8 Zn2 -","2","0.5","","Li, Xiao-Qing; Wang, Bin; Ji, He-Yuan; Li, Yue-Sheng","Insights into the mechanism for ring-opening polymerization of lactide catalyzed by Zn(C6F5)2/organic superbase Lewis pairs","Catal. Sci. Technol.","2016","6","21","7763","","10.1039/C6CY01587E","","","0.71073","MoKα","","0.0459","0.0372","","","0.0854","0.09","","","","","","1.057","","","","has coordinates","188059","2020-10-21","18:00:00",""
"1544136","12.0454","0.0006","19.9342","0.0012","15.6271","0.0007","90","","90","","90","","3752.3","0.3","293","2","293.15","","","","","","","","","4","P b c n","-P 2n 2ab","60","a-4","propane-2,2-diylbis(4,1-phenylene) (2Z,2'Z)-bis(3-phenyl-3-(phenylamino)acrylate)","","- C45 H38 N2 O4 -","- C45 H38 N2 O4 -","- C180 H152 N8 O16 -","4","0.5","","He, Benzhao; Zhen, Shijie; Wu, Yongwei; Hu, Rongrong; Zhao, Zujin; Qin, Anjun; Tang, Ben Zhong","Cu(i)-Catalyzed amino-yne click polymerization","Polym. Chem.","2016","7","48","7375","","10.1039/C6PY01501H","","","0.71073","MoKα","","0.0777","0.0455","","","0.1089","0.1261","","","","","","1.015","","","","has coordinates","190286","2020-10-21","18:00:00",""
"1544137","8.8102","0.0008","12.129","0.0011","13.7804","0.0011","105.048","0.008","91.812","0.007","110.568","0.008","1319.1","0.2","293","","293.15","","","","","","","","","3","P -1","-P 1","2","","4,4'-Isopropylidenediphenyl bis(3-phenylpropiolate)","","- C33 H24 O4 -","- C33 H24 O4 -","- C66 H48 O8 -","2","1","","He, Benzhao; Zhen, Shijie; Wu, Yongwei; Hu, Rongrong; Zhao, Zujin; Qin, Anjun; Tang, Ben Zhong","Cu(i)-Catalyzed amino-yne click polymerization","Polym. Chem.","2016","7","48","7375","","10.1039/C6PY01501H","","","0.71073","MoKα","","0.0865","0.052","","","0.1227","0.1478","","","","","","1.019","","","","has coordinates","190286","2020-10-21","18:00:00",""
"1544139","7.1696","0.0001","17.3429","0.0004","11.1994","0.0002","90","","106.232","0.001","90","","1337.04","0.04","90","0.2","90","0.2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C14 H13 B F4 N S -","- C14 H13 B F4 N S -","- C56 H52 B4 F16 N4 S4 -","4","1","","Milshtein, Jarrod D.; Kaur, Aman Preet; Casselman, Matthew D.; Kowalski, Jeffrey A.; Modekrutti, Subrahmanyam; Zhang, Peter L.; Harsha Attanayake, N.; Elliott, Corrine F.; Parkin, Sean R.; Risko, Chad; Brushett, Fikile R.; Odom, Susan A.","High current density, long duration cycling of soluble organic active species for non-aqueous redox flow batteries","Energy Environ. Sci.","2016","9","11","3531","","10.1039/C6EE02027E","","","1.54178","CuKα","","0.0542","0.0491","","","0.163","0.1731","","","","","","1.11","","","","has coordinates","188249","2020-10-21","18:00:00",""
"1544140","6.8493","0.0002","10.8341","0.0003","19.2816","0.0004","90","","90.004","0.002","90","","1430.81","0.06","90","0.2","90","0.2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C15 H15 B F4 N O S -","- C15 H15 B F4 N O S -","- C60 H60 B4 F16 N4 O4 S4 -","4","1","","Milshtein, Jarrod D.; Kaur, Aman Preet; Casselman, Matthew D.; Kowalski, Jeffrey A.; Modekrutti, Subrahmanyam; Zhang, Peter L.; Harsha Attanayake, N.; Elliott, Corrine F.; Parkin, Sean R.; Risko, Chad; Brushett, Fikile R.; Odom, Susan A.","High current density, long duration cycling of soluble organic active species for non-aqueous redox flow batteries","Energy Environ. Sci.","2016","9","11","3531","","10.1039/C6EE02027E","","","1.54178","CuKα","","0.0602","0.0487","","","0.1226","0.1313","","","","","","1.026","","","","has coordinates","188249","2020-10-21","18:00:00",""
"1544141","8.7624","0.0018","7.6786","0.0015","19.134","0.004","90","","99.37","0.03","90","","1270.2","0.5","90","0.2","90","0.2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C15 H15 N O S -","- C15 H15 N O S -","- C60 H60 N4 O4 S4 -","4","1","","Milshtein, Jarrod D.; Kaur, Aman Preet; Casselman, Matthew D.; Kowalski, Jeffrey A.; Modekrutti, Subrahmanyam; Zhang, Peter L.; Harsha Attanayake, N.; Elliott, Corrine F.; Parkin, Sean R.; Risko, Chad; Brushett, Fikile R.; Odom, Susan A.","High current density, long duration cycling of soluble organic active species for non-aqueous redox flow batteries","Energy Environ. Sci.","2016","9","11","3531","","10.1039/C6EE02027E","","","0.71073","MoKα","","0.0546","0.0432","","","0.113","0.1197","","","","","","1.105","","","","has coordinates","188249","2020-10-21","18:00:00",""
"1544142","7.0364","0.0001","12.4613","0.0002","19.4044","0.0003","90","","98.2495","0.0008","90","","1683.82","0.04","90","0.2","90","0.2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C17 H19 B F4 N O2 S -","- C17 H19 B F4 N O2 S -","- C68 H76 B4 F16 N4 O8 S4 -","4","1","","Milshtein, Jarrod D.; Kaur, Aman Preet; Casselman, Matthew D.; Kowalski, Jeffrey A.; Modekrutti, Subrahmanyam; Zhang, Peter L.; Harsha Attanayake, N.; Elliott, Corrine F.; Parkin, Sean R.; Risko, Chad; Brushett, Fikile R.; Odom, Susan A.","High current density, long duration cycling of soluble organic active species for non-aqueous redox flow batteries","Energy Environ. Sci.","2016","9","11","3531","","10.1039/C6EE02027E","","","0.71073","MoKα","","0.0423","0.0357","","","0.0917","0.0959","","","","","","1.054","","","","has coordinates","188249","2020-10-21","18:00:00",""
"1544143","8.9816","0.0004","29.4224","0.0015","13.9309","0.0007","90","","90.128","0.003","90","","3681.4","0.3","147","2","147","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C24 H21 N O -","- C24 H21 N O -","- C192 H168 N8 O8 -","8","4","","Yamamoto, Kosuke; Qureshi, Zafar; Tsoung, Jennifer; Pisella, Guillaume; Lautens, Mark","Combining Ru-Catalyzed C-H Functionalization with Pd-Catalyzed Asymmetric Allylic Alkylation: Synthesis of 3-Allyl-3-aryl Oxindole Derivatives from Aryl α-Diazoamides.","Organic letters","2016","18","19","4954","4957","10.1021/acs.orglett.6b02423","","","1.54178","CuKα","","0.0549","0.0515","","","0.1218","0.1245","","","","","","1.057","","","","has coordinates,has disorder","187976","2020-10-21","18:00:00",""
"1544144","13.856","0.002","4.5401","0.0007","11.926","0.002","90","","111.173","0.005","90","","699.59","0.19","295","2","295","2","","","","","","","","4","P 1 c 1","P -2yc","7","","2-(4-Nitrophenyl)acetate 2-amino-4-methylpyridin-1-ium","","- C14 H15 N3 O4 -","- C14 H15 N3 O4 -","- C28 H30 N6 O8 -","2","1","BG4002","Sivakumar, P.; Anzline, C.; Israel, S.; Chakkaravarthi, G.","2-(4-Nitrophenyl)acetate 2-amino-4-methylpyridin-1-ium","IUCrData","2016","1","9","x161433","","10.1107/S2414314616014334","","","0.71073","MoKα","","0.0832","0.046","","","0.0843","0.1011","","","","","","1.034","","","","has coordinates,has Fobs","186610","2020-10-21","18:00:00",""
"1544145","13.9972","0.0006","17.2985","0.0004","18.4787","0.0006","63.725","0.003","68.593","0.003","67.115","0.004","3594.1","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","<i>RS</i>-Efonidipine acetone hemisolvate","<i>RS</i>-2-(Phenyl-(phenylmethyl)amino)ethyl 5-(5,5-dimethyl-2-oxo-1,3-dioxa-2λ5-phosphacyclohex-2-yl)-2,6-dimethyl-4-(3-\ nitrophenyl)-1,4-dihydropyridine-3-carboxylate acetone hemisolvate","","- C35.5 H41 N3 O7.5 P -","- C35.5 H41 N3 O7.5 P -","- C142 H164 N12 O30 P4 -","4","2","XU4012","Liu, Yu-Heng; Li, Zhan-Jun; Li, Wen","(<i>RS</i>)-Efonidipine acetone hemisolvate","IUCrData","2016","1","9","x161432","","10.1107/S2414314616014322","","","1.54184","CuKα","","0.0686","0.0621","","","0.1883","0.1964","","","","","","1.053","","","","has coordinates,has Fobs","186611","2020-10-21","18:00:00",""
"1544146","9.78","0.003","17.698","0.005","15.819","0.004","90","","105.985","0.016","90","","2632.2","1.3","299","2","299","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","Butyl 2-[(azidocarbonyl)amino]benzoate","","- C12 H14 N4 O3 -","- C12 H14 N4 O3 -","- C96 H112 N32 O24 -","8","1","SJ4055","Yassine, Hasna; Khouili, Mostafa; Hafid, Abderrafia; Mentre, Olivier; Ketatni, El Mostafa","Butyl 2-[(azidocarbonyl)amino]benzoate","IUCrData","2016","1","9","x161454","","10.1107/S2414314616014541","","","0.71073","MoKα","","0.089","0.0445","","","0.1032","0.1173","","","","","","0.977","","","","has coordinates,has Fobs","186612","2020-10-21","18:00:00",""
"1544147","13.1126","0.0005","6.8916","0.0003","16.1831","0.0006","90","","90","","90","","1462.41","0.1","100","0.1","100","0.1","","","","","","","","5","P b c a","-P 2ac 2ab","61","","4-Fluoro-<i>N</i>-methyl-<i>N</i>-nitroaniline","","- C7 H7 F N2 O2 -","- C7 H7 F N2 O2 -","- C56 H56 F8 N16 O16 -","8","1","BT4026","Gajda, Katarzyna; Dziuk, Błażej; Daszkiewicz, Zdzisław","4-Fluoro-<i>N</i>-methyl-<i>N</i>-nitroaniline","IUCrData","2016","1","9","x161446","","10.1107/S2414314616014462","","","0.71073","MoKα","","0.0366","0.0302","","","0.0807","0.085","","","","","","1.037","","","","has coordinates,has Fobs","186613","2020-10-21","18:00:00",""
"1544148","12.6615","0.0009","13.8008","0.0011","15.4039","0.0014","90","","111.225","0.002","90","","2509.1","0.4","295","2","295","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2-Amino-4-methylpyridinium 2-hydroxybenzoate","","- C13 H14 N2 O3 -","- C13 H14 N2 O3 -","- C104 H112 N16 O24 -","8","2","HB4080","Sivakumar, P.; Israel, S.; Chakkaravarthi, G.","2-Amino-4-methylpyridinium 2-hydroxybenzoate","IUCrData","2016","1","9","x161443","","10.1107/S2414314616014437","","","0.71073","MoKα","","0.1185","0.0601","","","0.1251","0.1607","","","","","","1.077","","","","has coordinates,has Fobs","186614","2020-10-21","18:00:00",""
"1544157","17.771","0.002","17.771","0.002","27.217","0.002","90","","90","","120","","7443.8","1.3","170","2","170.15","","","","","","","","","4","R -3","-R 3","148","","","","- C54 H126 Au25 S18 -","- C54 H126 Au25 S18 -","- C162 H378 Au75 S54 -","3","","","Agrachev, Mikhail; Antonello, Sabrina; Dainese, Tiziano; Gascon, Jose; Pan, Fangfang; Rissanen, Kari; Ruzzi, Marco; Venzo, Alfonso; Zoleo, Alfonso; Maran, Flavio","A Magnetic Look into the Protecting Layer of Au25Clusters","Chem. Sci.","2016","","","","","10.1039/C6SC03691K","","x-ray","0.71073","MoKα","","0.0871","0.0474","","","0.0798","0.0935","","","","","","0.986","","","","has coordinates,has disorder","186646","2020-10-21","18:00:00",""
"1544163","11.97","0.006","16","0.008","8.19","0.004","90","","90","","90","","1568.5","1.3","296","2","296","2","","","","","","","","3","P c a 21","P 2c -2ac","29","","","","- C16 H18 O6 -","- C16 H18 O6 -","- C64 H72 O24 -","4","1","","Ren, Zhiqiang; Hao, Yu; Hu, Xiangdong","Total Synthesis and Structural Reassignment of (±)-Cereoanhydride.","Organic letters","2016","18","19","4958","4961","10.1021/acs.orglett.6b02424","","","0.71073","MoKα","","0.0708","0.0483","","","0.1077","0.1197","","","","","","0.966","","","","has coordinates","187972","2020-10-21","18:00:00",""
"1544164","17.022","0.018","8.362","0.009","19.77","0.02","90","","95.585","0.011","90","","2801","5","173","","173","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C32 H38 B N3 O -","- C32 H38 B N3 O -","- C128 H152 B4 N12 O4 -","4","1","","Nishikawa, Daiki; Hirano, Koji; Miura, Masahiro","Copper-Catalyzed Regio- and Stereoselective Aminoboration of Alkenylboronates.","Organic letters","2016","18","19","4856","4859","10.1021/acs.orglett.6b02338","","","0.71075","MoKα","","0.2839","0.0858","","","0.1269","0.1941","","","","","","0.99","","","","has coordinates","187977","2020-10-21","18:00:00",""
"1544165","11.904","0.012","10.2654","0.001","23.98","0.02","90","","100.941","0.012","90","","2877","4","173","","173","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C32 H39 B2 N5 O -","- C32 H39 B2 N5 O -","- C128 H156 B8 N20 O4 -","4","1","","Nishikawa, Daiki; Hirano, Koji; Miura, Masahiro","Copper-Catalyzed Regio- and Stereoselective Aminoboration of Alkenylboronates.","Organic letters","2016","18","19","4856","4859","10.1021/acs.orglett.6b02338","","","0.71075","MoKα","","0.2192","0.098","","","0.1762","0.236","","","","","","1.022","","","","has coordinates","187977","2020-10-21","18:00:00",""
"1544166","10.361","0.002","25.338","0.003","11.4215","0.0017","90","","114.89","0.02","90","","2719.9","0.9","170","","170","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C32 H38 O3 -","- C32 H38 O3 -","- C128 H152 O12 -","4","1","","Huang, Bo; Shen, Yangyong; Mao, Zhenjun; Liu, Yu; Cui, Sunliang","Metathesis Reaction of Diazo Compounds and para-Quinone Methides for C-C Double Bond Formation: Synthesis of Tetrasubstituted Alkenes and Quinolinones.","Organic letters","2016","18","19","4888","4891","10.1021/acs.orglett.6b02365","","","0.71073","MoKα","","0.1617","0.0681","","","0.1182","0.1605","","","","","","1.007","","","","has coordinates","187979","2020-10-21","18:00:00",""
"1544167","13.002","0.004","10.771","0.004","13.596","0.004","90","","109.47","0.005","90","","1795.2","1","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C22 H16 Cl N O2 -","- C22 H16 Cl N O2 -","- C88 H64 Cl4 N4 O8 -","4","1","","Huang, Bo; Shen, Yangyong; Mao, Zhenjun; Liu, Yu; Cui, Sunliang","Metathesis Reaction of Diazo Compounds and para-Quinone Methides for C-C Double Bond Formation: Synthesis of Tetrasubstituted Alkenes and Quinolinones.","Organic letters","2016","18","19","4888","4891","10.1021/acs.orglett.6b02365","","","0.71073","MoKα","","0.0873","0.0459","","","0.1049","0.1262","","","","","","0.975","","","","has coordinates","187979","2020-10-21","18:00:00",""
"1544168","10.472","0.004","26.208","0.011","11.754","0.005","90","","100.641","0.008","90","","3170","2","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C30 H34 N0 O3 -","- C30 H34 O3 -","- C120 H136 O12 -","4","1","","Huang, Bo; Shen, Yangyong; Mao, Zhenjun; Liu, Yu; Cui, Sunliang","Metathesis Reaction of Diazo Compounds and para-Quinone Methides for C-C Double Bond Formation: Synthesis of Tetrasubstituted Alkenes and Quinolinones.","Organic letters","2016","18","19","4888","4891","10.1021/acs.orglett.6b02365","","","0.71073","MoKα","","0.0755","0.0603","","","0.163","0.1784","","","","","","0.933","","","","has coordinates","187979","2020-10-21","18:00:00",""
"1544169","9.6348","0.0006","11.1945","0.0008","13.2323","0.0011","107.248","0.007","100.253","0.006","93.543","0.005","1331.24","0.18","170","","170","","","","","","","","","3","P -1","-P 1","2","","","","- C31 H36 O3 -","- C31 H36 O3 -","- C62 H72 O6 -","2","1","","Huang, Bo; Shen, Yangyong; Mao, Zhenjun; Liu, Yu; Cui, Sunliang","Metathesis Reaction of Diazo Compounds and para-Quinone Methides for C-C Double Bond Formation: Synthesis of Tetrasubstituted Alkenes and Quinolinones.","Organic letters","2016","18","19","4888","4891","10.1021/acs.orglett.6b02365","","","0.71073","MoKα","","0.0892","0.0537","","","0.1269","0.1515","","","","","","1.041","","","","has coordinates,has disorder","187979","2020-10-21","18:00:00",""
"1544170","14.1486","0.0007","11.072","0.0006","17.2118","0.0009","90","","92.697","0.005","90","","2693.3","0.2","293","2","293.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C30 H34 Cl N O2 -","- C30 H34 Cl N O2 -","- C120 H136 Cl4 N4 O8 -","4","1","","Huang, Bo; Shen, Yangyong; Mao, Zhenjun; Liu, Yu; Cui, Sunliang","Metathesis Reaction of Diazo Compounds and para-Quinone Methides for C-C Double Bond Formation: Synthesis of Tetrasubstituted Alkenes and Quinolinones.","Organic letters","2016","18","19","4888","4891","10.1021/acs.orglett.6b02365","","","0.71073","MoKα","","0.0791","0.0488","","","0.1066","0.1255","","","","","","1.018","","","","has coordinates","187979","2020-10-21","18:00:00",""
"1544171","7.659","0.0004","20.714","0.001","10.7415","0.0006","90","","92.162","0.003","90","","1702.91","0.15","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C18.5 H25 Cl O2 -","- C18 H24 O2 -","- C72 H96 O8 -","4","2","","Qian, Mingxing; Engler-Chiurazzi, Elizabeth B; Lewis, Sara E.; Rath, Nigam P.; Simpkins, James W.; Covey, Douglas F.","Structure-activity studies of non-steroid analogues structurally-related to neuroprotective estrogens.","Organic & biomolecular chemistry","2016","14","41","9790","9805","10.1039/c6ob01726f","","","0.71073","MoKα","","0.0677","0.0444","","","0.0932","0.101","","","","","","1.033","","","","has coordinates","214153","2020-10-21","18:00:00",""
"1544172","28.082","0.004","9.2623","0.0011","12.2258","0.0016","90","","99.923","0.007","90","","3132.4","0.7","100","2","100","2","","","","","","","","3","C 1 2 1","C 2y","5","","","","- C19 H26 O2 -","- C19 H26 O2 -","- C152 H208 O16 -","8","2","","Qian, Mingxing; Engler-Chiurazzi, Elizabeth B; Lewis, Sara E.; Rath, Nigam P.; Simpkins, James W.; Covey, Douglas F.","Structure-activity studies of non-steroid analogues structurally-related to neuroprotective estrogens.","Organic & biomolecular chemistry","2016","14","41","9790","9805","10.1039/c6ob01726f","","","0.71073","MoKα","","0.0483","0.0384","","","0.0984","0.1063","","","","","","1.021","","","","has coordinates","188283","2020-10-21","18:00:00",""
"1544173","5.917","0.0003","11.503","0.0006","12.0635","0.0006","90","","98.153","0.002","90","","812.78","0.07","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C20 H28 O2 -","- C20 H28 O2 -","- C40 H56 O4 -","2","1","","Qian, Mingxing; Engler-Chiurazzi, Elizabeth B; Lewis, Sara E.; Rath, Nigam P.; Simpkins, James W.; Covey, Douglas F.","Structure-activity studies of non-steroid analogues structurally-related to neuroprotective estrogens.","Organic & biomolecular chemistry","2016","14","41","9790","9805","10.1039/c6ob01726f","","","0.71073","MoKα","","0.0376","0.0353","","","0.0917","0.0935","","","","","","1.034","","","","has coordinates","188283","2020-10-21","18:00:00",""
"1544174","6.4809","0.0007","9.8124","0.0013","21.726","0.002","90","","90","","90","","1381.6","0.3","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C17 H22 O2 -","- C17 H22 O2 -","- C68 H88 O8 -","4","1","","Qian, Mingxing; Engler-Chiurazzi, Elizabeth B; Lewis, Sara E.; Rath, Nigam P.; Simpkins, James W.; Covey, Douglas F.","Structure-activity studies of non-steroid analogues structurally-related to neuroprotective estrogens.","Organic & biomolecular chemistry","2016","14","41","9790","9805","10.1039/c6ob01726f","","","0.71073","MoKα","","0.0749","0.0493","","","0.0855","0.0949","","","","","","1.006","","","","has coordinates","188283","2020-10-21","18:00:00",""
"1544175","8.424","0.005","9.093","0.007","12.323","0.007","71.63","0.02","89.35","0.02","74.44","0.03","860.2","1","293","2","293","2","","","","","","","Salvia miltiorrhiza Bge.","3","P -1","-P 1","2","DS-1","miltiolactone A","","- C19 H22 O4 -","- C19 H22 O4 -","- C38 H44 O8 -","2","1","","Li, Ling-Zhi; Liang, Xiao; Sun, Xue; Qi, Xiao-Li; Wang, Jian; Zhao, Qing-Chun; Song, Shao-Jiang","Bioactive norditerpenoids and neolignans from the roots of salvia miltiorrhiza.","Organic & biomolecular chemistry","2016","14","42","10050","10057","10.1039/c6ob01784c","","","0.71073","MoKα","","0.0641","0.0458","","","0.1268","0.1355","","","","","","1.118","","","","has coordinates","188309","2020-10-21","18:00:00",""
"1544176","8.808","","13.609","","14.247","","76.62","","87.56","","88.26","","1659.53","","296","2","296","2","","","","","","","","5","P -1","-P 1","2","F3","2,2-difluoro-4-(furan-2-yl)-6-(4'-methoxy-[1,1'-biphenyl]-4-yl)-2H-1,3,2-dioxaborinin-1-ium-2-uide","","- C20 H15 B F2 O4 -","- C20 H15 B F2 O4 -","- C80 H60 B4 F8 O16 -","4","2","","Liu, Chun; Zhang, Hao; Zhao, Jianzhang","Synthesis, characterization and properties of furan-containing difluoroboron complexes","RSC Advances","2016","6","95","92341","92348","10.1039/C6RA20489A","","","0.71073","MoKα","","0.0638","0.0535","","","0.143","0.1535","","","","","","1.042","","","","has coordinates","282777","2023-04-20","11:56:45",""
"1544177","16.88","","9.056","","11.782","","90","","97.5","","90","","1785.65","","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","F2","2,2-difluoro-4-(furan-2-yl)-6-(4-(naphthalen-2-yl)phenyl)-2H-1,3,2-dioxaborinin-1-ium-2-uide","","- C23 H15 B F2 O3 -","- C23 H15 B F2 O3 -","- C92 H60 B4 F8 O12 -","4","1","","Liu, Chun; Zhang, Hao; Zhao, Jianzhang","Synthesis, characterization and properties of furan-containing difluoroboron complexes","RSC Advances","2016","6","95","92341","92348","10.1039/C6RA20489A","","","0.71073","MoKα","","0.0879","0.0517","","","0.1301","0.1469","","","","","","1.017","","","","has coordinates","282777","2023-04-20","11:56:45",""
"1544178","10.848","0.0005","10.848","0.0005","29.771","0.003","90","","90","","90","","3503.4","0.4","100","2","100","2","","","","","","","","5","P 41 21 2","P 4abw 2nw","92","","","","- C35 H35 Co2 N5 O9 -","- C35 H35 Co2 N5 O9 -","- C140 H140 Co8 N20 O36 -","4","0.5","","Satska, Yulia A.; Mikhalyova, Elena A.; Chernenko, Zhanna V.; Kolotilov, Sergey V.; Zeller, Matthias; Komarov, Igor V.; Tymtsunik, Andriy V.; Tolmachev, Andrey; Gavrilenko, Konstantin S.; Addison, Anthony W.","Sorption discrimination between secondary alcohol enantiomers by chiral alkyl-dicarboxylate MOFs","RSC Advances","2016","6","96","93707","93714","10.1039/C6RA09353A","","","0.71073","MoKα","","0.0529","0.042","","","0.088","0.0945","","","","","","1.075","","","","has coordinates,has disorder","282777","2023-04-20","11:56:45",""
"1544179","6.817","0.005","18.957","0.005","20.898","0.005","103.091","0.005","90.526","0.005","94.227","0.005","2622","2","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C48 H36 N7 O8 S2 -","- C48 H36 N7 O8 S2 -","- C96 H72 N14 O16 S4 -","2","1","","Shweta, Shweta; Kumar, Ajit; Neeraj, Neeraj; Asthana, Sharad Kumar; Prakash, Anand; Roy, Jagat Kumar; Tiwari, Ida; Upadhyay, K. K.","A highly sensitive naphthaoxazole-based cell-permeable ratiometric chemodosimeter for hydrazine","RSC Advances","2016","6","97","94959","94966","10.1039/C6RA15081K","","","0.71073","MoKα","","0.145","0.0881","","","0.2092","0.2315","","","","","","0.984","","","","has coordinates","282777","2023-04-20","11:56:45",""
"1544180","6.4138","0.0006","7.6858","0.0007","15.2182","0.0014","90","","99.722","0.003","90","","739.41","0.12","299","2","299.43","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C16 H18 N2 O2 S -","- C16 H18 N2 O2 S -","- C32 H36 N4 O4 S2 -","2","1","","Aillerie, Alexandre; Lemau de Talencé, Vincent; Dumont, Clément; Pellegrini, Sylvain; Capet, Frédéric; Bousquet, Till; Pélinski, Lydie","Enantioselective transfer hydrogenation, a key step for the synthesis of 3-aminotetrahydroquinolines","New J. Chem.","2016","40","11","9034","","10.1039/C6NJ02249A","","","0.71073","MoKα","","0.0422","0.0359","","","0.0863","0.0903","","","","","","1.02","","","","has coordinates","188264","2020-10-21","18:00:00",""
"1544181","9.2335","0.0005","11.214","0.0005","25.4777","0.0013","90","","90","","90","","2638.1","0.2","150","2","150","2","","","","","","","synthesis as described","5","P 21 21 21","P 2ac 2ab","19","","","","- C26 H33 Fe N2 O8 -","- C26 H33 Fe N2 O8 -","- C104 H132 Fe4 N8 O32 -","4","1","","Srinivas, Palabindela; Prabhakar, Sunchu; Chevallier, Floris; Nassar, Ekhlass; Erb, William; Dorcet, Vincent; Jouikov, Viatcheslav; Radha Krishna, Palakodety; Mongin, Florence","Synthesis of ferrocene amides and esters from aminoferrocene and 2-substituted ferrocenecarboxylic acid and properties thereof","New J. Chem.","2016","40","11","9441","","10.1039/C6NJ02018F","","x-ray","0.71073","MoKα","","0.1327","0.1015","","","0.2636","0.2942","","","","","","1.037","","","","has coordinates","188265","2020-10-21","18:00:00",""
"1544189","13.636","0.003","10.254","0.002","30.557","0.006","90","","90","","90","","4272.6","1.5","113","2","113","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C24 H27 Br N2 O2 -","- C24 H27 Br N2 O2 -","- C192 H216 Br8 N16 O16 -","8","1","","Lu, Kui; Ma, Yantao; Gao, Meile; Liu, Yan; Li, Ming; Xu, Chuanming; Zhao, Xia; Yu, Peng","1,4-Addition Ugi Reaction Using Cyclic α,β-Unsaturated Ketone as Substrate.","Organic letters","2016","18","19","5038","5041","10.1021/acs.orglett.6b02493","","","0.71073","MoKα","","0.0729","0.057","","","0.1249","0.1326","","","","","","1.107","","","","has coordinates","204116","2020-10-21","18:00:00",""
"1544190","7.3989","0.0016","9.6247","0.001","17.483","0.002","90","","91.112","0.013","90","","1244.8","0.3","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","5,6-Bis(pyridin-2-yl)-2,3-dihydropyrazine","","- C14 H12 N4 -","- C14 H12 N4 -","- C56 H48 N16 -","4","1","","Posel, Maciej; Stoeckli-Evans, Helen","5,6-Bis(pyridin-2-yl)-2,3-dihydropyrazine","IUCrData","2016","1","9","x161467","","10.1107/S241431461601467X","","","0.71069","MoKα","","0.0696","0.0398","","","0.0886","0.0997","","","","","","0.979","","","","has coordinates,has Fobs","186754","2020-10-21","18:00:00",""
"1544191","9.995","0.0007","10.1492","0.0005","11.262","0.0008","90.656","0.005","92.291","0.005","101.925","0.005","1116.66","0.13","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","Ethyl 3-amino-2-carbamoyl-4-(4-methoxyphenyl)-6-methylthieno[2,3-<i>b</i>]pyridine-5-carboxylate dimethyl sulfoxide monosolvate","","- C21 H25 N3 O5 S2 -","- C21 H25 N3 O5 S2 -","- C42 H50 N6 O10 S4 -","2","1","HG4013","Bakhite, Etify A.; Kaur, Manpreet; Mohamed, Shaaban K.; Akkurt, Mehmet; Jasinski, Jerry P.; Albayati, Mustafa R.","Ethyl 3-amino-2-carbamoyl-4-(4-methoxyphenyl)-6-methylthieno[2,3-<i>b</i>]pyridine-5-carboxylate dimethyl sulfoxide monosolvate","IUCrData","2016","1","9","x161474","","10.1107/S2414314616014747","","","1.54184","CuKα","","0.0543","0.049","","","0.1322","0.1393","","","","","","1.058","","","","has coordinates,has Fobs","186755","2020-10-21","18:00:00",""
"1544192","5.1939","0.0011","8.0697","0.0017","9.1482","0.0015","106.819","0.019","96.077","0.018","92.804","0.018","363.69","0.13","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","(<i>E</i>)-<i>N</i>,<i>N</i>'-(1,2-Dicyanoethene-1,2-diyl)dipicolinamide","","- C16 H10 N6 O2 -","- C16 H10 N6 O2 -","- C16 H10 N6 O2 -","1","0.5","","Posel, Maciej; Stoeckli-Evans, Helen","(<i>E</i>)-<i>N</i>,<i>N</i>'-(1,2-Dicyanoethene-1,2-diyl)dipicolinamide","IUCrData","2016","1","9","x161464","","10.1107/S2414314616014644","","","0.71073","MoKα","","0.0781","0.0728","","","0.1522","0.1551","","","","","","1.404","","","","has coordinates,has Fobs","186756","2020-10-21","18:00:00",""
"1544193","11.3333","0.0006","16.4178","0.0009","12.765","0.0006","90","","94.14","0.005","90","","2369","0.2","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Histamine perchlorate","4-(2-Azaniumylethyl)-1<i>H</i>-imidazol-3-ium bis(perchlorate)","","- C5 H11 Cl2 N3 O8 -","- C5 H11 Cl2 N3 O8 -","- C40 H88 Cl16 N24 O64 -","8","2","HG4015","Okeke, Ugochukwu; Gultneh, Yilma; Jasinski, Jerry P.; Butcher, Ray J.","Histamine perchlorate","IUCrData","2016","1","9","x161481","","10.1107/S2414314616014814","","","0.71073","MoKα","","0.0999","0.0628","","","0.1831","0.2185","","","","","","1.065","","","","has coordinates,has disorder,has Fobs","186757","2020-10-21","18:00:00",""
"1544194","7.6303","0.0002","9.3142","0.0003","17.2518","0.0005","90.339","0.002","99.468","0.002","99.556","0.003","1191.91","0.06","295","2","295","2","","","","","","","","4","P -1","-P 1","2","","2-Aminopyridinium 2,4-dinitrophenolate","","- C11 H10 N4 O5 -","- C11 H10 N4 O5 -","- C44 H40 N16 O20 -","4","2","BH4014","Devi, S. Reena; Akilan, R.; Kumar, R. Mohan; Ganesh, T.; Chakkaravarthi, G.","2-Aminopyridinium 2,4-dinitrophenolate","IUCrData","2016","1","9","x161489","","10.1107/S2414314616014899","","","0.71073","MoKα","","0.1159","0.0512","","","0.1242","0.1566","","","","","","1.009","","","","has coordinates,has Fobs","186758","2020-10-21","18:00:00",""
"1544195","3.8639","0.001","13.933","0.004","15.019","0.004","90","","93.313","0.009","90","","807.2","0.4","120","2","120.03","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","4,7-Dichloro-1<i>H</i>-indole-2,3-dione","","- C8 H3 Cl2 N O2 -","- C8 H3 Cl2 N O2 -","- C32 H12 Cl8 N4 O8 -","4","1","VM4014","Golen, James A.; Manke, David R.","4,7-Dichloro-1<i>H</i>-indole-2,3-dione","IUCrData","2016","1","9","x161485","","10.1107/S2414314616014851","","","0.71073","MoKα","","0.0278","0.0251","","","0.0596","0.0613","","","","","","1.078","","","","has coordinates,has Fobs","186759","2020-10-21","18:00:00",""
"1544208","15.97714","0.00005","15.97714","0.00005","5.581157","0.000002","90","","90","","120","","1233.82","0.005","","","90","","","","","","","","","2","R -3 :H","-R 3","148","","","Benzene:ethane co-crystal","- C20 H24 -","- C20 H24 -","- C60 H72 -","3","0.166667","","Maynard-Casely, H.E.; Hodyss, R.; Cable, M.L.; Vu, T.H.; Rahm, M.","A co-crystal between benzene and ethane, an potential evaporite material for Saturn's moon Titan","IuCrJ","2016","3","","192","199","10.1107/S2052252516002815","","","0.826","synchrotron","","","","","","","","","","","","","","","","","has coordinates","197618","2020-10-21","18:00:00",""
"1544212","19.6761","0.0011","7.233","0.0004","9.9258","0.0007","90","","90","","90","","1412.61","0.15","173","2","173","2","","","","","","","","4","P n m a","-P 2ac 2n","62","2,3-dihydro-1<i>H</i>-cyclopenta[<i>b</i>]indole-4-carboxylic acid <i>tert</i>-butyl ester","<i>tert</i>-Butyl 2,3-dihydro-1<i>H</i>-cyclopenta[<i>b</i>]indole-4-carboxylate","","- C16 H19 N O2 -","- C16 H19 N O2 -","- C64 H76 N4 O8 -","4","0.5","BV4003","Jordon, Jason A.; Badenock, Jeanese C.; Gribble, Gordon W.; Kaur, Manpreet; Jasinski, Jerry P.","<i>tert</i>-Butyl 2,3-dihydro-1<i>H</i>-cyclopenta[<i>b</i>]indole-4-carboxylate","IUCrData","2016","1","9","x161468","","10.1107/S2414314616014681","","","0.71073","MoKα","","0.0672","0.056","","","0.1389","0.1465","","","","","","1.105","","","","has coordinates,has Fobs","186802","2020-10-21","18:00:00",""
"1544213","6.6659","0.0004","7.4965","0.0005","34.7364","0.0017","90","","94.7132","0.0019","90","","1729.94","0.18","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","4-{(1<i>E</i>,3<i>E</i>)-4-[4-(Dimethylamino)phenyl]buta-1,3-dien-1-yl}-1-methylpyridin-1-ium iodide","","- C18 H21 I N2 -","- C18 H21 I N2 -","- C72 H84 I4 N8 -","4","1","","John Sundaram, S.; Sagayaraj, P.; Antony Raj, A.; Dravida Thendral, E. R. A.; Usha, G.","4-{(1<i>E</i>,3<i>E</i>)-4-[4-(Dimethylamino)phenyl]buta-1,3-dien-1-yl}-1-methylpyridin-1-ium iodide","IUCrData","2016","1","9","x161463","","10.1107/S2414314616014632","","","0.71073","MoKα","","0.0431","0.0406","","","0.0788","0.0796","","","","","","1.33","","","","has coordinates,has Fobs","186803","2020-10-21","18:00:00",""
"1544214","8.2829","0.0002","13.8636","0.0004","15.1292","0.0004","72.328","0.001","74.922","0.001","87.252","0.001","1597.42","0.07","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","(4<i>Z</i>)-1-Benzyl-4-(2-oxopropylidene)-2,3,4,5-tetrahydro-1<i>H</i>-1,5-benzodiazepin-2-one","","- C19 H18 N2 O2 -","- C19 H18 N2 O2 -","- C76 H72 N8 O8 -","4","2","ZQ4012","Samba, Mohamed; Minnih, Mohamed Said; Ramli, Youssef; Ouzidan, Younes; Essassi, El Mokhtar; Mague, Joel T.","(4<i>Z</i>)-1-Benzyl-4-(2-oxopropylidene)-2,3,4,5-tetrahydro-1<i>H</i>-1,5-benzodiazepin-2-one","IUCrData","2016","1","9","x161448","","10.1107/S2414314616014486","","","0.71073","MoKα","","0.0658","0.0472","","","0.1419","0.1514","","","","","","1.096","","","","has coordinates,has disorder,has Fobs","186804","2020-10-21","18:00:00",""
"1544215","26.2392","0.0008","5.1197","0.0001","14.2546","0.0004","90","","103.826","0.001","90","","1859.43","0.09","296","2","296","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","6-Methyl-1-benzofuran-3-yl acetic acid","","","- C11 H10 O3 -","- C11 H10 O3 -","- C88 H80 O24 -","8","2","","Ramprasad, N.; Gowda, K. V. Arjuna; Gowda, Ramakrishna; Basanagouda, Mahantesha; Kantharaj, K. S.; Gowda, G. V. Jagadeesha","2-(6-Methyl-1-benzofuran-3-yl)acetic acid","IUCrData","2016","1","9","x161434","","10.1107/S2414314616014346","","","0.71073","MoKα","","0.0518","0.0387","","","0.1034","0.1153","","","","","","1.024","","","","has coordinates,has Fobs","186805","2020-10-21","18:00:00",""
"1544216","10.6503","0.0002","10.6112","0.0002","11.2086","0.0002","90","","97.857","0.002","90","","1254.82","0.04","100","0.1","100","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","2-Methyl-<i>N</i>-(pyrazin-2-yl)propanamide‒1,2,4,5-tetrafluoro-3,6-diiodobenzene (2/1)","","- C11 H11 F2 I N3 O -","- C11 H11 F2 I N3 O -","- C44 H44 F8 I4 N12 O4 -","4","1","BT4027","Dziuk, Błażej; Ośmiałowski, Borys; Zarychta, Bartosz; Ejsmont, Krzysztof","2-Methyl-<i>N</i>-(pyrazin-2-yl)propanamide‒1,2,4,5-tetrafluoro-3,6-diiodobenzene (2/1)","IUCrData","2016","1","9","x161466","","10.1107/S2414314616014668","","","0.71073","MoKα","","0.016","0.0145","","","0.0359","0.0363","","","","","","1.019","","","","has coordinates,has disorder,has Fobs","186806","2020-10-21","18:00:00",""
"1544217","7.2101","0.0003","8.2105","0.0003","20.5363","0.0008","90","","90.619","0.001","90","","1215.65","0.08","203","2","203","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(<i>E</i>)-2-[(2,3-Dibromoallyl)sulfanyl]-1-methyl-1<i>H</i>-imidazol-3-ium bromide","","- C7 H9 Br3 N2 S -","- C7 H9 Br3 N2 S -","- C28 H36 Br12 N8 S4 -","4","1","SJ4057","Oberparleiter, Stefan; Laus, Gerhard; Wurst, Klaus; Schottenberger, Herwig","(<i>E</i>)-2-[(2,3-Dibromoallyl)sulfanyl]-1-methyl-1<i>H</i>-imidazol-3-ium bromide","IUCrData","2016","1","9","x161499","","10.1107/S2414314616014991","","","0.71073","MoKα","","0.0266","0.0214","","","0.0507","0.0524","","","","","","1.036","","","","has coordinates,has disorder,has Fobs","186807","2020-10-21","18:00:00",""
"1544218","9.4212","0.0017","12.062","0.002","16.116","0.003","107.369","0.003","95.857","0.003","107.938","0.004","1624.5","0.5","110","2","110","2","","","","","","","","5","P -1","-P 1","2","","{6,6'-Dimethyl-2,2'-bis[(2-oxidobenzylidene)amino]-1,1'-biphenyl-κ^4^<i>O</i>,<i>N</i>,<i>N</i>',<i>O</i>'}bis(propan-2-olato-κ<i>O</i>)titanium(IV) <i>n</i>-hexane hemisolvate","","- C37 H43 N2 O4 Ti -","- C37 H43 N2 O4 Ti -","- C74 H86 N4 O8 Ti2 -","2","1","WM4027","Chen, Liang; Deng, Xuebin","{6,6'-Dimethyl-2,2'-bis[(2-oxidobenzylidene)amino]-1,1'-biphenyl-κ^4^<i>O</i>,<i>N</i>,<i>N</i>',<i>O</i>'}bis(propan-2-olato-κ<i>O</i>)titanium(IV) <i>n</i>-hexane hemisolvate","IUCrData","2016","1","9","x161482","","10.1107/S2414314616014826","","","0.71073","MoKα","","0.0896","0.0635","","","0.1611","0.1764","","","","","","1.053","","","","has coordinates,has Fobs","186808","2020-10-21","18:00:00",""
"1544219","15.969","0.0004","10.6225","0.0004","15.6395","0.0005","90","","91.922","0.003","90","","2651.45","0.15","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C22 H22 Cl5 F5 N2 Ru -","- C22 H22 Cl5 F5 N2 Ru -","- C88 H88 Cl20 F20 N8 Ru4 -","4","1","","Ventura-Espinosa, David; Vicent, Cristian; Baya, Miguel; Mata, Jose A.","Ruthenium molecular complexes immobilized on graphene as active catalysts for the synthesis of carboxylic acids from alcohol dehydrogenation","Catal. Sci. Technol.","2016","6","22","8024","","10.1039/C6CY01455K","","","0.71073","MoKα","","0.0463","0.0351","","","0.0833","0.0997","","","","","","0.859","","","","has coordinates,has disorder","190057","2020-10-21","18:00:00",""
"1544220","11.3681","0.0004","14.3155","0.0007","14.8357","0.0007","62.367","0.005","84.064","0.004","77.725","0.004","2090.04","0.19","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C36 H39 Cl8 N2 Ru -","- C36 H39 Cl8 N2 Ru -","- C72 H78 Cl16 N4 Ru2 -","2","1","","Ventura-Espinosa, David; Vicent, Cristian; Baya, Miguel; Mata, Jose A.","Ruthenium molecular complexes immobilized on graphene as active catalysts for the synthesis of carboxylic acids from alcohol dehydrogenation","Catal. Sci. Technol.","2016","6","22","8024","","10.1039/C6CY01455K","","","0.71073","MoKα","","0.0766","0.0613","","","0.1725","0.1917","","","","","","1.069","","","","has coordinates,has disorder","190057","2020-10-21","18:00:00",""
"1544222","13.831","0.007","16.046","0.008","9.43","0.005","90","","105.784","0.008","90","","2013.9","1.8","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C25 H17 Cl N O P -","- C25 H17 Cl N O P -","- C100 H68 Cl4 N4 O4 P4 -","4","1","","Li, Chun-Xiao; Tu, De-Shuang; Yao, Rui; Yan, Hong; Lu, Chang-Sheng","Visible-Light-Induced Cascade Reaction of Isocyanides and N-Arylacrylamides with Diphenylphosphine Oxide via Radical C-P and C-C Bond Formation.","Organic letters","2016","18","19","4928","4931","10.1021/acs.orglett.6b02413","","","0.71073","MoKα","","0.0539","0.0419","","","0.1111","0.128","","","","","","1.088","","","","has coordinates","187973","2020-10-21","18:00:00",""
"1544227","6.494","0.004","17.665","0.01","13.508","0.008","90","","92.402","0.009","90","","1548.2","1.6","300.15","","300.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","(<i>E</i>)-2-[(2-Butyl-4-chloro-1<i>H</i>-imidazol-5-yl)methylidene]-<i>N</i>-methylhydrazine-1-carbothioamide monohydrate","","- C10 H18 Cl N5 O S -","- C10 H18 Cl N5 O S -","- C40 H72 Cl4 N20 O4 S4 -","4","1","","Aabaka, Sreenath Reddy; Yaaratha, Sarala; Krishna, L. Sivarama; Das, Samar K.; Ammireddy, Varada Reddy","(<i>E</i>)-2-[(2-Butyl-4-chloro-1<i>H</i>-imidazol-5-yl)methylidene]-<i>N</i>-methylhydrazine-1-carbothioamide monohydrate","IUCrData","2016","1","9","x161514","","10.1107/S2414314616015145","","","0.71073","MoKα","","0.0645","0.0486","","","0.1383","0.1504","","","","","","1.03","","","","has coordinates,has disorder,has Fobs","186860","2020-10-21","18:00:00",""
"1544228","11.0789","0.0017","4.9866","0.0008","15.049","0.002","90","","108.041","0.007","90","","790.5","0.2","120","2","120.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","5,7-Dichloro-1<i>H</i>-indole-2,3-dione","","- C8 H3 Cl2 N O2 -","- C8 H3 Cl2 N O2 -","- C32 H12 Cl8 N4 O8 -","4","1","SJ4060","Golen, James A.; Manke, David R.","5,7-Dichloro-1<i>H</i>-indole-2,3-dione","IUCrData","2016","1","9","x161510","","10.1107/S2414314616015108","","","1.54178","CuKα","","0.0396","0.0353","","","0.0836","0.0861","","","","","","1.058","","","","has coordinates,has Fobs","186861","2020-10-21","18:00:00",""
"1544229","7.4849","0.0008","16.1306","0.0016","10.4904","0.001","90","","109.234","0.003","90","","1195.9","0.2","295","2","295","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","4-Methylanilinium 2-hydroxysuccinate","4-Methylanilinium 3-carboxy-2-hydroxypropanoate","","- C11 H15 N O5 -","- C11 H15 N O5 -","- C44 H60 N4 O20 -","4","1","VM4015","Kalaiyarasi, S.; Devi, S. Reena; Akilan, R.; Kumar, R. Mohan; Chakkaravarthi, G.","4-Methylanilinium 3-carboxy-2-hydroxypropanoate","IUCrData","2016","1","9","x161525","","10.1107/S241431461601525X","","","0.71073","MoKα","","0.0944","0.0483","","","0.1162","0.1363","","","","","","1.026","","","","has coordinates,has Fobs","186862","2020-10-21","18:00:00",""
"1544230","16.109","0.0009","11.2205","0.0005","10.7515","0.0005","90","","104.888","0.002","90","","1878.11","0.16","295","2","295","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(<i>E</i>)-4-Methoxy-<i>N</i>'-(2,3,4-trimethoxybenzylidene)benzohydrazide monohydrate","","- C18 H22 N2 O6 -","- C18 H22 N2 O6 -","- C72 H88 N8 O24 -","4","1","BT4029","Veeramanikandan, S.; Sherine, H. Benita; Gunasekaran, B.; Chakkaravarthi, G.","(<i>E</i>)-4-Methoxy-<i>N</i>'-(2,3,4-trimethoxybenzylidene)benzohydrazide monohydrate","IUCrData","2016","1","9","x161526","","10.1107/S2414314616015261","","","0.71073","MoKα","","0.1157","0.0486","","","0.113","0.1446","","","","","","0.99","","","","has coordinates,has Fobs","186863","2020-10-21","18:00:00",""
"1544231","5.9136","0.0001","19.1658","0.0004","10.8946","0.0002","90","","91.852","0.002","90","","1234.14","0.04","100","0.1","100","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","<i>N</i>,<i>N</i>-Dicyclohexylnitramine","<i>N</i>-Cyclohexyl-<i>N</i>-nitrocyclohexanamine","","- C12 H22 N2 O2 -","- C12 H22 N2 O2 -","- C48 H88 N8 O8 -","4","1","HB4079","Gajda, Katarzyna; Dziuk, Błażej; Daszkiewicz, Zdzisław; Zarychta, Bartosz","<i>N</i>,<i>N</i>-Dicyclohexylnitramine","IUCrData","2016","1","9","x161513","","10.1107/S2414314616015133","","","0.71073","MoKα","","0.0464","0.034","","","0.0808","0.0841","","","","","","1.073","","","","has coordinates,has Fobs","186864","2020-10-21","18:00:00",""
"1544240","8.1397","0.0009","15.2283","0.0016","18.0213","0.0019","90","","102.251","0.002","90","","2182.9","0.4","100","0.5","100","0.5","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","eisrs02","","","- C23 H23 F6 N2 O P -","- C23 H23 F6 N2 O P -","- C92 H92 F24 N8 O4 P4 -","4","1","","Sabatini, Randy P.; Mark, Michael F.; Mark, Daniel J.; Kryman, Mark W.; Hill, Jacqueline E.; Brennessel, William W.; Detty, Michael R.; Eisenberg, Richard; McCamant, David W.","A comparative study of the photophysics of phenyl, thienyl, and chalcogen substituted rhodamine dyes.","Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology","2016","15","11","1417","1432","10.1039/c6pp00233a","","","0.71073","MoKα","","0.0798","0.0524","","","0.1429","0.1622","","","","","","1.037","","","","has coordinates,has disorder","190278","2020-10-21","18:00:00",""
"1544241","15.031","0.002","21.396","0.003","7.4045","0.0011","90","","102.883","0.003","90","","2321.4","0.6","100","0.5","100","0.5","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","eisrs03","","","- C21 H21 F6 N2 O P S -","- C21 H21 F6 N2 O P S -","- C84 H84 F24 N8 O4 P4 S4 -","4","1","","Sabatini, Randy P.; Mark, Michael F.; Mark, Daniel J.; Kryman, Mark W.; Hill, Jacqueline E.; Brennessel, William W.; Detty, Michael R.; Eisenberg, Richard; McCamant, David W.","A comparative study of the photophysics of phenyl, thienyl, and chalcogen substituted rhodamine dyes.","Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology","2016","15","11","1417","1432","10.1039/c6pp00233a","","","0.71073","MoKα","","0.0957","0.0523","","","0.1119","0.1289","","","","","","1.014","","","","has coordinates,has disorder","190278","2020-10-21","18:00:00",""
"1544242","8.164","0.005","8.507","0.005","19.437","0.009","90.22","0.03","90.11","0.03","90.19","0.02","1349.9","1.3","296","","296","","","","","","","","","4","P 1","P 1","1","","","","- C16 H17 N O2 -","- C16 H16 N O2 -","- C64 H64 N4 O8 -","4","4","","Maeda, Hajime; Takenaka, Hiroki; Mizuno, Kazuhiko","Intermolecular hydrogen bonding controlled stereoselective photocycloaddition of vinyl ethers to 1-cyanonaphthalenes.","Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology","2016","15","11","1385","1392","10.1039/c6pp00281a","","","0.71075","MoKα","","0.1888","0.1534","","","0.3799","0.3958","","","","","","2.467","","","","has coordinates","190279","2020-10-21","18:00:00",""
"1544243","19.5521","0.0012","15.1072","0.0005","15.5543","0.0009","90","","126.057","0.004","90","","3714.3","0.4","193","2","193","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","1-(Pyridin-4-yl)-3-(2,4,6-trichlorophenyl)benz[4,5]imidazo[1,2-<i>d</i>][1,2,4]triazin-4(3<i>H</i>)-one","","- C20 H10 Cl3 N5 O -","- C20 H10 Cl3 N5 O -","- C160 H80 Cl24 N40 O8 -","8","1","","Abu Thaher, Bassam; Schollmeyer, Dieter; Qeshta, Basem; Wahedy, Kanan M.; Almasri, Ihab M.; Morjan, Rami Y.; Deigner, Hans-Peter","1-(Pyridin-4-yl)-3-(2,4,6-trichlorophenyl)benz[4,5]imidazo[1,2-<i>d</i>][1,2,4]triazin-4(3<i>H</i>)-one","IUCrData","2016","1","10","x161529","","10.1107/S2414314616015297","","","0.71073","MoKα","","0.059","0.0413","","","0.104","0.1133","","","","","","1.04","","","","has coordinates,has Fobs","187993","2020-10-21","18:00:00",""
"1544244","3.9059","0.0008","13.493","0.003","13.767","0.003","92.212","0.007","93.163","0.007","93.016","0.007","722.8","0.3","100","","100","","","","","","","","","4","P -1","-P 1","2","","Diethyl 2,2'-bipyridine-4,4'-dicarboxylate","","- C16 H16 N2 O4 -","- C16 H16 N2 O4 -","- C32 H32 N4 O8 -","2","1","","Rillema, D. Paul; Moore, Curtis; KomReddy, Venugopal","Diethyl 2,2'-bipyridine-4,4'-dicarboxylate","IUCrData","2016","1","10","x161547","","10.1107/S2414314616015479","","","0.71073","MoKα","","0.1059","0.0568","","","0.1226","0.1413","","","","","","1.02","","","","has coordinates,has Fobs","186917","2020-10-21","18:00:00",""
"1544245","20.1218","0.001","15.6745","0.0007","21.2107","0.0011","90","","90","","90","","6689.8","0.6","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C25 H40 Cl2 N4 O9 Zn2 -","- C25 H40 Cl2 N4 O9 Zn2 -","- C200 H320 Cl16 N32 O72 Zn16 -","8","1","","Martínez, Javier; Castro-Osma, José A.; Lara-Sánchez, Agustín; Otero, Antonio; Fernández-Baeza, Juan; Tejeda, Juan; Sánchez-Barba, Luis F.; Rodríguez-Diéguez, Antonio","Ring-opening copolymerisation of cyclohexene oxide and carbon dioxide catalysed by scorpionate zinc complexes","Polym. Chem.","2016","7","42","6475","","10.1039/C6PY01559J","","","0.71073","MoKα","","0.0633","0.0383","","","0.0907","0.1098","","","","","","1.119","","","","has coordinates","188321","2020-10-21","18:00:00",""
"1544246","8.9728","0.0004","13.5806","0.0006","16.6376","0.0007","93.952","0.002","103.777","0.002","90.502","0.002","1963.72","0.15","100","","296.15","","","","","","","","","3","P -1","-P 1","2","","","","- C21.5 H26 O6.5 -","- C21.5 H25.5 O6.5 -","- C86 H102 O26 -","4","2","","He, Ruijie; Huang, Xishan; Zhang, Yanjun; Wu, Liangdeng; Nie, Hui; Zhou, Dexiong; Liu, Buming; Deng, Shengping; Yang, Ruiyun; Huang, Shuai; Nong, Zhijie; Li, Jun; Huang, Yan","Structural Characterization and Assessment of the Cytotoxicity of 2,3-Dihydro-1H-indene Derivatives and Coumarin Glucosides from the Bark of Streblus indicus.","Journal of natural products","2016","79","10","2472","2478","10.1021/acs.jnatprod.6b00306","","","1.54184","CuKα","","0.0511","0.0478","","","0.1356","0.139","","","","","","1.047","","","","has coordinates","214153","2020-10-21","18:00:00",""
"1544250","35.113","0.004","34.407","0.004","24.991","0.003","90","","100.595","0.002","90","","29678","6","120","2","120.15","","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C226 H218 Ag38 Au3 Br1.9 Cl25.1 P2 S24 -","- C226 H218 Ag38 Au3 Br1.9 Cl25.1 P2 S24 -","- C904 H872 Ag152 Au12 Br7.6 Cl100.4 P8 S96 -","4","1","","Wang, Zhi; Senanayake, Ravithree; Aikens, Christine M.; Chen, Wen-Miao; Tung, Chen-Ho; Sun, Di","Gold-doped silver nanocluster [Au3Ag38(SCH2Ph)24X5](2-) (X = Cl or Br).","Nanoscale","2016","8","45","18905","18911","10.1039/c6nr06615a","","","0.71073","MoKα","","0.1507","0.0999","","","0.2695","0.2929","","","","","","1.059","","","","has coordinates","190227","2020-10-21","18:00:00",""
"1544251","4.6056","0.0003","24.7911","0.0013","13.7523","0.0007","90","","98.751","0.003","90","","1551.93","0.15","223","2","223","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","(<i>E</i>)-3-(2,3-Dimethoxyphenyl)-1-(2-hydroxy-5-methoxyphenyl)prop-2-en-1-one","","- C18 H18 O5 -","- C18 H18 O5 -","- C72 H72 O20 -","4","1","HB4081","Koh, Dongsoo","(<i>E</i>)-3-(2,3-Dimethoxyphenyl)-1-(2-hydroxy-5-methoxyphenyl)prop-2-en-1-one","IUCrData","2016","1","10","x161492","","10.1107/S2414314616014929","","","0.71073","MoKα","","0.1004","0.0499","","","0.1057","0.1263","","","","","","1.018","","","","has coordinates,has Fobs","187209","2020-10-21","18:00:00",""
"1544252","8.2241","0.0004","12.2161","0.0007","12.3952","0.0008","115.507","0.006","93.532","0.004","96.914","0.004","1106.77","0.13","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","1-(4-Nitrophenyl)-2-({4-phenyl-5-[(<i>p</i>-tolyloxy)methyl]-4<i>H</i>-1,2,4-triazol-3-yl}sulfanyl)acetamide","","- C24 H21 N5 O4 S -","- C24 H21 N5 O4 S -","- C48 H42 N10 O8 S2 -","2","1","SJ4062","Al-Taifi, Elham A.; Kaur, Manpreet; Akkurt, Mehmet; Mohamed, Shaaban K.; Jasinski, Jerry P.","1-(4-Nitrophenyl)-2-({4-phenyl-5-[(<i>p</i>-tolyloxy)methyl]-4<i>H</i>-1,2,4-triazol-3-yl}sulfanyl)acetamide","IUCrData","2016","1","10","x161533","","10.1107/S2414314616015339","","","1.54184","CuKα","","0.0479","0.0382","","","0.0956","0.1019","","","","","","1.021","","","","has coordinates,has Fobs","187210","2020-10-21","18:00:00",""
"1544253","11.0662","0.0005","11.1661","0.0005","11.2508","0.0005","65.2268","0.0006","67.0573","0.0006","71.9789","0.0006","1144.57","0.09","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","<i>N</i>-[1-Phenyl-2,5-bis(trimethylsilyl)pent-2-en-4-yn-1-yl]aniline","","- C23 H31 N Si2 -","- C23 H31 N Si2 -","- C46 H62 N2 Si4 -","2","1","","Burlakov, Vladimir V.; Spannenberg, Anke; Bogdanov, Vyacheslav S.; Andreev, Maxim V.; Arndt, Perdita; Rosenthal, Uwe","<i>N</i>-[1-Phenyl-2,5-bis(trimethylsilyl)pent-2-en-4-yn-1-yl]aniline","IUCrData","2016","1","10","x161559","","10.1107/S2414314616015595","","","0.71073","MoKα","","0.042","0.0321","","","0.079","0.0856","","","","","","1.033","","","","has coordinates,has Fobs","187211","2020-10-21","18:00:00",""
"1544254","8.1712","0.0004","20.1515","0.0009","9.136","0.0004","90","","105.806","0.005","90","","1447.47","0.12","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Diisopropylammonium 4-aminobenzenesulfonate","","- C12 H22 N2 O3 S -","- C12 H22 N2 O3 S -","- C48 H88 N8 O12 S4 -","4","1","","Sarr, Bougar; Diop, Cheikh Abdoul Khadir; Diop, Libasse; Blanchard, Florent; Michaud, Francois","Diisopropylammonium 4-aminobenzenesulfonate","IUCrData","2016","1","10","x161545","","10.1107/S2414314616015455","","","0.71073","MoKα","","0.0649","0.0497","","","0.1232","0.136","","","","","","1.035","","","","has coordinates,has Fobs","187212","2020-10-21","18:00:00",""
"1544255","11.5383","0.0007","7.9873","0.0005","28.3149","0.0019","90","","90.525","0.003","90","","2609.4","0.3","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Methyl 2-phenylquinoline-4-carboxylate","","- C17 H13 N O2 -","- C17 H13 N O2 -","- C136 H104 N8 O16 -","8","2","TK4021","Mague, Joel T.; Akkurt, Mehmet; Mohamed, Shaaban K.; Al-badrany, Khalid A.; Ahmed, Ehab A.","Methyl 2-phenylquinoline-4-carboxylate","IUCrData","2016","1","10","x161500","","10.1107/S2414314616015005","","","1.54178","CuKα","","0.0548","0.0431","","","0.105","0.1136","","","","","","1.042","","","","has coordinates,has Fobs","187213","2020-10-21","18:00:00",""
"1544256","6.1146","0.0009","28.3272","0.001","5.9614","0.0008","90","","90","","90","","1032.6","0.2","297","2","297","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(<i>S</i>)-2-Azaniumyl-2-methyl-3-phenylpropanoate monohydrate","","- C10 H15 N O3 -","- C10 H15 N O3 -","- C40 H60 N4 O12 -","4","1","BH4013","Fujii, Isao","(<i>S</i>)-2-Azaniumyl-2-methyl-3-phenylpropanoate monohydrate","IUCrData","2016","1","10","x161516","","10.1107/S2414314616015169","","","1.54184","CuKα","","0.0313","0.0285","","","0.0779","0.0818","","","","","","1.075","","","","has coordinates,has Fobs","187214","2020-10-21","18:00:00",""
"1544264","9.996","0.003","10.556","0.002","11.033","0.002","69.226","0.019","73.09","0.02","65.04","0.02","973","0.4","295.37","0.1","295.37","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C21 H23 N O5 -","- C21 H23 N O5 -","- C42 H46 N2 O10 -","2","1","","Han, Jing-Qiang; Zhang, Huan-Huan; Xu, Peng-Fei; Luo, Yong-Chun","Lewis Acid and (Hypo)iodite Relay Catalysis Allows a Strategy for the Synthesis of Polysubstituted Azetidines and Tetrahydroquinolines.","Organic letters","2016","18","20","5212","","10.1021/acs.orglett.6b02430","","x-ray","0.71073","MoKα","","0.1119","0.0615","","","0.1333","0.1749","","","","","","1.049","","","","has coordinates","187963","2020-10-21","18:00:00",""
"1544265","9.7358","0.0003","9.6518","0.0002","19.991","0.0005","90","","98.694","0.003","90","","1856.93","0.08","291.48","0.1","291.48","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C20 H21 N O4 -","- C20 H21 N O4 -","- C80 H84 N4 O16 -","4","1","","Han, Jing-Qiang; Zhang, Huan-Huan; Xu, Peng-Fei; Luo, Yong-Chun","Lewis Acid and (Hypo)iodite Relay Catalysis Allows a Strategy for the Synthesis of Polysubstituted Azetidines and Tetrahydroquinolines.","Organic letters","2016","18","20","5212","","10.1021/acs.orglett.6b02430","","x-ray","1.54184","CuKα","","0.049","0.0422","","","0.1151","0.1224","","","","","","1.025","","","","has coordinates","187963","2020-10-21","18:00:00",""
"1544266","11.8914","0.0007","12.9438","0.0007","15.3741","0.0009","90","","90","","90","","2366.4","0.2","100","","100","","","","","","","","","5","C 2 2 21","C 2c 2","20","","C4","","- C20 H26 Cl2 Co N4 -","- C20 H26 Cl2 Co N4 -","- C80 H104 Cl8 Co4 N16 -","4","0.5","","Wang, Feng; Cao, Bei; To, Wai-Pong; Tse, Chun-Wai; Li, Kai; Chang, Xiao-Yong; Zang, Chao; Chan, Sharon Lai-Fung; Che, Chi-Ming","The effects of chelating N4ligand coordination on Co(ii)-catalysed photochemical conversion of CO2to CO: reaction mechanism and DFT calculations","Catal. Sci. Technol.","2016","6","20","7408","","10.1039/C6CY01265E","","","1.54178","CuKα","","0.0661","0.0633","","","0.1615","0.164","","","","","","1.069","","","","has coordinates,has disorder","187242","2020-10-21","18:00:00",""
"1544267","14.2357","0.0014","8.2893","0.0008","15.2974","0.0017","90","","90","","90","","1805.2","0.3","115","2","114.99","","","","","","","","","5","P b c n","-P 2n 2ab","60","","C6","","- C17 H24 Cl2 Co N4 -","- C17 H24 Cl2 Co N4 -","- C68 H96 Cl8 Co4 N16 -","4","0.5","","Wang, Feng; Cao, Bei; To, Wai-Pong; Tse, Chun-Wai; Li, Kai; Chang, Xiao-Yong; Zang, Chao; Chan, Sharon Lai-Fung; Che, Chi-Ming","The effects of chelating N4ligand coordination on Co(ii)-catalysed photochemical conversion of CO2to CO: reaction mechanism and DFT calculations","Catal. Sci. Technol.","2016","6","20","7408","","10.1039/C6CY01265E","","","0.71073","MoKα","","0.0258","0.0216","","","0.0517","0.054","","","","","","1.06","","","","has coordinates,has disorder","187242","2020-10-21","18:00:00",""
"1544268","11.1898","0.001","8.5968","0.0008","14.2382","0.0013","90","","103.253","0.003","90","","1333.2","0.2","123","2","123","2","","","","","","","","5","P 1 21 1","P 2yb","4","","C7","","- C28 H31 Cl2 Co N5 -","- C28 H31 Cl2 Co N5 -","- C56 H62 Cl4 Co2 N10 -","2","1","","Wang, Feng; Cao, Bei; To, Wai-Pong; Tse, Chun-Wai; Li, Kai; Chang, Xiao-Yong; Zang, Chao; Chan, Sharon Lai-Fung; Che, Chi-Ming","The effects of chelating N4ligand coordination on Co(ii)-catalysed photochemical conversion of CO2to CO: reaction mechanism and DFT calculations","Catal. Sci. Technol.","2016","6","20","7408","","10.1039/C6CY01265E","","","0.71073","MoKα","","0.0207","0.0193","","","0.0464","0.0468","","","","","","1.051","","","","has coordinates","211332","2020-10-21","18:00:00",""
"1544269","9.0263","0.0011","9.19","0.0011","13.2981","0.0016","83.343","0.003","81.332","0.003","61.722","0.003","959.1","0.2","100","","100","","","","","","","","","6","P -1","-P 1","2","","C8","","- C12 H34 Cl2 Co N4 O2 -","- C12 H34 Cl2 Co N4 O2 -","- C24 H68 Cl4 Co2 N8 O4 -","2","1","","Wang, Feng; Cao, Bei; To, Wai-Pong; Tse, Chun-Wai; Li, Kai; Chang, Xiao-Yong; Zang, Chao; Chan, Sharon Lai-Fung; Che, Chi-Ming","The effects of chelating N4ligand coordination on Co(ii)-catalysed photochemical conversion of CO2to CO: reaction mechanism and DFT calculations","Catal. Sci. Technol.","2016","6","20","7408","","10.1039/C6CY01265E","","","1.54178","CuKα","","0.0503","0.0488","","","0.1316","0.1333","","","","","","1.081","","","","has coordinates","187242","2020-10-21","18:00:00",""
"1544270","11.2962","0.0006","13.9276","0.0008","14.5394","0.0009","90","","90","","90","","2287.5","0.2","108","2","108","2","","","","","","","","6","C 2 2 21","C 2c 2","20","[Co(DMPDP)Cl2]","","","- C22 H32 Cl2 Co N4 O -","- C22 H32 Cl2 Co N4 O -","- C88 H128 Cl8 Co4 N16 O4 -","4","0.5","","Wang, Feng; Cao, Bei; To, Wai-Pong; Tse, Chun-Wai; Li, Kai; Chang, Xiao-Yong; Zang, Chao; Chan, Sharon Lai-Fung; Che, Chi-Ming","The effects of chelating N4ligand coordination on Co(ii)-catalysed photochemical conversion of CO2to CO: reaction mechanism and DFT calculations","Catal. Sci. Technol.","2016","6","20","7408","","10.1039/C6CY01265E","","","0.71073","MoKα","","0.0171","0.0168","","","0.0437","0.0438","","","","","","1.092","","","","has coordinates","187242","2020-10-21","18:00:00",""
"1544273","11.752","0.003","12.212","0.004","13.257","0.003","85.95","0.02","87.98","0.02","70.17","0.02","1785.2","0.9","294","","294","","","","","","","","","7","P -1","-P 1","2","","Diaquatetrakis(dimethyl sulfoxide-κ<i>O</i>)cobalt(II) bis[diamminetetrakis(thiocyanato-κ<i>N</i>)chromate(III)] dimethyl sulfoxide hexasolvate dihydrate","","- C28 H80 Co Cr2 N12 O14 S18 -","- C28 H80 Co Cr2 N12 O14 S18 -","- C28 H80 Co Cr2 N12 O14 S18 -","1","0.5","SJ4061","Rusanova, Julia A.; Dyakonenko, Viktoriya V.; Semenaka, Valentina V.","Diaquatetrakis(dimethyl sulfoxide-κ<i>O</i>)cobalt(II) bis[diamminetetrakis(thiocyanato-κ<i>N</i>)chromate(III)] dimethyl sulfoxide hexasolvate dihydrate","IUCrData","2016","1","10","x161571","","10.1107/S2414314616015716","","","0.71073","MoKα","","0.1556","0.0693","","","0.1616","0.1954","","","","","","1.04","","","","has coordinates,has Fobs","187994","2020-10-21","18:00:00",""
"1544274","6.2844","0.0002","11.7141","0.0005","21.6006","0.001","90","","90","","90","","1590.15","0.11","173","2","173","2","","","","","","","","6","P n a 21","P 2c -2n","33","","3-Chloro-<i>r</i>-2,<i>c</i>-6-bis(4-fluorophenyl)-3-methylpiperidin-4-one","","- C18 H16 Cl F2 N O -","- C18 H16 Cl F2 N O -","- C72 H64 Cl4 F8 N4 O4 -","4","1","BV4004","Arulraj, R.; Sivakumar, S.; Thiruvalluvar, A.; Kaur, Manpreet; Jasinski, Jerry P.","3-Chloro-<i>r</i>-2,<i>c</i>-6-bis(4-fluorophenyl)-3-methylpiperidin-4-one","IUCrData","2016","1","10","x161580","","10.1107/S2414314616015807","","","1.54184","CuKα","","0.0512","0.0488","","","0.1198","0.1224","","","","","","1.075","","","","has coordinates,has Fobs","187281","2020-10-21","18:00:00",""
"1544275","9.938","0.002","10.085","0.002","14.23","0.004","80.194","0.003","86.588","0.003","81.534","0.003","1389.2","0.6","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","(<i>Z</i>)-2-(4-{[(<i>E</i>)-2-Hydroxybenzylidene]amino}phenyl)-3-[4-(1,4,7,10-tetraoxa-13-azacyclopentadecan-13-yl)phenyl]acrylonitrile","","- C32 H35 N3 O5 -","- C32 H35 N3 O5 -","- C64 H70 N6 O10 -","2","1","","Zhang, Xin; Wu, Zhi-Chao","(<i>Z</i>)-2-(4-{[(<i>E</i>)-2-Hydroxybenzylidene]amino}phenyl)-3-[4-(1,4,7,10-tetraoxa-13-azacyclopentadecan-13-yl)phenyl]acrylonitrile","IUCrData","2016","1","10","x161598","","10.1107/S2414314616015984","","","0.71073","MoKα","","0.095","0.0519","","","0.1361","0.1549","","","","","","1.037","","","","has coordinates,has Fobs","187282","2020-10-21","18:00:00",""
"1544276","7.53614","0.00016","30.5246","0.0006","15.4918","0.0004","90","","90","","90","","3563.7","0.14","173","","173","","","","","","","","","6","P n n a","-P 2a 2bc","52","","Chloridobis[2-(pyridin-2-yl-κ<i>N</i>)benzo[<i>b</i>][1,5]naphthyridine-κ<i>N</i>^1^]copper(II) perchlorate acetonitrile disolvate","","- C38 H28 Cl2 Cu N8 O4 -","- C38 H28 Cl2 Cu N8 O4 -","- C152 H112 Cl8 Cu4 N32 O16 -","4","0.5","BT4028","Ohtsu, Hideki; Tezuka, Yosuke; Narita, Michitari; Tsuge, Kiyoshi; Tanaka, Koji","Chloridobis[2-(pyridin-2-yl-κ<i>N</i>)benzo[<i>b</i>][1,5]naphthyridine-κ<i>N</i>^1^]copper(II) perchlorate acetonitrile disolvate","IUCrData","2016","1","10","x161562","","10.1107/S2414314616015625","","","0.71075","MoKα","","0.055","0.0432","","","0.124","0.1317","","","","","","1.056","","","","has coordinates,has Fobs","187283","2020-10-21","18:00:00",""
"1544281","10.4177","0.001","10.9492","0.0008","13.6822","0.0011","90","","110.206","0.002","90","","1464.6","0.2","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","catena-(mu~4~-2-Thiobarbiturato-O,O',S,S)- (mu~2~-2-Thiobarbiturato-S,S)-tris(mu~2~-aqua)-di-sodium","","- C4 H6 N2 Na O3.5 S -","- C4 H6 N2 Na O3.5 S -","- C32 H48 N16 Na8 O28 S8 -","8","2","","N.N. Golovnev; M.S. Molokeev; I.V. Sterkhova; V.V. Atuchin; M.Y. Sidorenko","Hydrated pseudo-polymorphs [Na2(H2O)x](2-thiobarbiturate)2 (x = 3, 4, 5): crystal structure, spectroscopic and thermal properties","Journal of Coordination Chemistry","2016","69","21","3219","3230","10.1080/00958972.2016.1228914","","","0.71073","MoKα","","0.0322","0.0263","","","0.069","0.0724","","","","","","1.051","","","","has coordinates,has Fobs","282761","2023-04-20","06:45:59",""
"1544282","6.7075","0.0006","11.0451","0.001","20.4865","0.0017","90","","90","","90","","1517.7","0.2","296","2","296","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","catena-(mu~4~-2-Thiobarbiturato-O,O',S,S)- (2-Thiobarbiturato-S)-tris(mu~2~-aqua)-aqua-di-sodium","","- C4 H7 N2 Na O4 S -","- C4 H7 N2 Na O4 S -","- C32 H56 N16 Na8 O32 S8 -","8","2","","N.N. Golovnev; M.S. Molokeev; I.V. Sterkhova; V.V. Atuchin; M.Y. Sidorenko","Hydrated pseudo-polymorphs [Na2(H2O)x](2-thiobarbiturate)2 (x = 3, 4, 5): crystal structure, spectroscopic and thermal properties","Journal of Coordination Chemistry","2016","69","21","3219","3230","10.1080/00958972.2016.1228914","","","0.71073","MoKα","","0.1074","0.0592","","","0.1091","0.1262","","","","","","0.916","","","","has coordinates,has Fobs","282761","2023-04-20","06:46:01",""
"1544283","7.2084","0.0006","11.366","0.0009","20.0517","0.0016","74.296","0.003","80.187","0.003","87.543","0.003","1558.4","0.2","100","2","100","2","","","","","","","synthesis as described","8","P -1","-P 1","2","","","","- C31 H23.5 Cl2 F6 N5.5 O P Ru -","- C31 H23.5 Cl2 F6 N5.5 O P Ru -","- C62 H47 Cl4 F12 N11 O2 P2 Ru2 -","2","1","","Akl, Joelle; Sasaki, Isabelle; Lacroix, Pascal G.; Hugues, Vincent; Vicendo, Patricia; Bocé, Mathilde; Mallet-Ladeira, Sonia; Blanchard-Desce, Mireille; Malfant, Isabelle","trans- and cis-(Cl,Cl)-[Ru(II)(FT)Cl2(NO)](PF6): promising candidates for NO release in the NIR region.","Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology","2016","15","12","1484","1491","10.1039/c6pp00181e","","x-ray","0.71073","MoKα","","0.0509","0.0373","","","0.0874","0.0944","","","","","","1.057","","","","has coordinates,has disorder","190277","2020-10-21","18:00:00",""
"1544284","10.8118","0.0012","11.8295","0.0011","12.3991","0.0014","103.956","0.005","108.342","0.005","101.033","0.005","1398","0.3","100","2","100","2","","","","","","","synthesis as described","6","P -1","-P 1","2","","","","- C30 H22 Cl2 N5 O3.5 Ru -","- C30 H22 Cl2 N5 O3.5 Ru -","- C60 H44 Cl4 N10 O7 Ru2 -","2","1","","Akl, Joelle; Sasaki, Isabelle; Lacroix, Pascal G.; Hugues, Vincent; Vicendo, Patricia; Bocé, Mathilde; Mallet-Ladeira, Sonia; Blanchard-Desce, Mireille; Malfant, Isabelle","trans- and cis-(Cl,Cl)-[Ru(II)(FT)Cl2(NO)](PF6): promising candidates for NO release in the NIR region.","Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology","2016","15","12","1484","1491","10.1039/c6pp00181e","","x-ray","0.71073","MoKα","","0.0946","0.0454","","","0.0934","0.1221","","","","","","1.028","","","","has coordinates,has disorder","190277","2020-10-21","18:00:00",""
"1544286","10.2062","0.0006","13.2507","0.0008","13.9258","0.0008","91.429","0.002","104.805","0.002","98.033","0.002","1799.3","0.18","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C23 H21 N O -","- C23 H21 N O -","- C92 H84 N4 O4 -","4","2","","Roy, Tony; Thangaraj, Manikandan; Kaicharla, Trinadh; Kamath, Rupa V.; Gonnade, Rajesh G.; Biju, Akkattu T.","The Aryne [2,3] Stevens Rearrangement.","Organic letters","2016","18","20","5428","","10.1021/acs.orglett.6b02809","","","0.71073","MoKα","","0.0684","0.0536","","","0.1215","0.1288","","","","","","1.041","","","","has coordinates,has disorder","187964","2020-10-21","18:00:00",""
"1544288","9.6854","0.0005","10.9169","0.0006","13.145","0.0007","79.029","0.004","75.615","0.003","85.345","0.004","1320.86","0.12","295","2","295","2","","","","","","","","4","P -1","-P 1","2","","2,5-Dimethylanilinium 4-hydroxybenzoate‒2,5-dimethylaniline‒4-hydroxybenzoic acid (1/1/1)","","- C30 H34 N2 O6 -","- C30 H34 N2 O6 -","- C60 H68 N4 O12 -","2","1","HB4085","Mani, A.; Rajesh, K.; Kumar, P. Praveen; Chakkaravarthi, G.","2,5-Dimethylanilinium 4-hydroxybenzoate‒2,5-dimethylaniline‒4-hydroxybenzoic acid (1/1/1)","IUCrData","2016","1","10","x161607","","10.1107/S2414314616016072","","","0.71073","MoKα","","0.1229","0.0586","","","0.1193","0.1446","","","","","","1.014","","","","has coordinates,has Fobs","187344","2020-10-21","18:00:00",""
"1544289","9.1166","0.0018","10.022","0.002","10.781","0.002","116.951","0.002","97.13","0.002","102.195","0.002","830.5","0.3","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","<i>N</i>,<i>N</i>'-Bis(pyrazin-2-ylmethyl)pyrazine-2,3-dicarboxamide","","- C16 H14 N8 O2 -","- C16 H14 N8 O2 -","- C32 H28 N16 O4 -","2","1","SJ4064","Wang, Zhaodong; Yang, Yanshuang; Lin, Huanzhu","<i>N</i>,<i>N</i>'-Bis(pyrazin-2-ylmethyl)pyrazine-2,3-dicarboxamide","IUCrData","2016","1","10","x161588","","10.1107/S2414314616015881","","","0.71073","MoKα","","0.0603","0.0405","","","0.1167","0.1318","","","","","","1.05","","","","has coordinates,has Fobs","187345","2020-10-21","18:00:00",""
"1544290","10.5321","0.0015","18.794","0.003","9.0491","0.0012","90","","113.903","0.005","90","","1637.6","0.4","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Ethyl 4,6-dimethyl-3-oxo-2-phenyl-3,7-dihydro-2<i>H</i>-pyrazolo[3,4-<i>b</i>]pyridine-5-carboxylate monohydrate","","- C17 H19 N3 O4 -","- C17 H19 N3 O4 -","- C68 H76 N12 O16 -","4","1","XU4017","Akhramez, Soufiane; Hafid, Abderrafia; Khouili, Mostafa; Mentre, Olivier; Ketatni, El Mostafa","Ethyl 4,6-dimethyl-3-oxo-2-phenyl-3,7-dihydro-2<i>H</i>-pyrazolo[3,4-<i>b</i>]pyridine-5-carboxylate monohydrate","IUCrData","2016","1","10","x161619","","10.1107/S2414314616016199","","","0.71073","MoKα","","0.1065","0.0561","","","0.1452","0.1664","","","","","","0.961","","","","has coordinates,has disorder,has Fobs","187346","2020-10-21","18:00:00",""
"1544291","13.6564","0.0006","12.3755","0.0004","7.7281","0.0003","90","","117.586","0.001","90","","1157.61","0.08","295","2","295","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","Benzene-1,2-diaminium phosphite","Benzene-1,2-diaminium bis(hydrogen phosphonate)","","- C6 H14 N2 O6 P2 -","- C6 H14 N2 O6 P2 -","- C24 H56 N8 O24 P8 -","4","0.5","VM4016","Zahid, Md.; Akilan, R.; Ganesh, T.; Kumar, R. Mohan; Chakkaravarthi, G.","Benzene-1,2-diaminium bis(hydrogen phosphonate)","IUCrData","2016","1","10","x161591","","10.1107/S2414314616015911","","","0.71073","MoKα","","0.0349","0.03","","","0.0879","0.0922","","","","","","1.071","","","","has coordinates,has Fobs","187347","2020-10-21","18:00:00",""
"1544292","12.35","0.003","4.8107","0.0013","42.812","0.011","90","","97.569","0.009","90","","2521.4","1.1","173","","173","","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","Ammonium hydrogen bis[4-(2-phenyl-2<i>H</i>-tetrazol-5-yl)benzoate]","","- C28 H23 N9 O4 -","- C28 H23 N9 O4 -","- C112 H92 N36 O16 -","4","0.5","SU4081","Janzen, Daron E.; Lange, Kayla A.; Wollack, James W.","Ammonium hydrogen bis[4-(2-phenyl-2<i>H</i>-tetrazol-5-yl)benzoate]","IUCrData","2016","1","10","x161570","","10.1107/S2414314616015704","","","0.71075","MoKα","","0.0757","0.0596","","","0.1232","0.1283","","","","","","1.185","","","","has coordinates,has Fobs","187348","2020-10-21","18:00:00",""
"1544293","12.5178","0.0011","7.8321","0.0009","12.6354","0.0015","90","","107.763","0.008","90","","1179.7","0.2","293","2","293","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","2,4-Dimethylpyrido[1,2-<i>a</i>]pyrimidin-5-ium perchlorate","","- C10 H11 Cl N2 O4 -","- C10 H11 Cl N2 O4 -","- C40 H44 Cl4 N8 O16 -","4","1","","Posel, Maciej; Stoeckli-Evans, Helen","2,4-Dimethylpyrido[1,2-<i>a</i>]pyrimidin-5-ium perchlorate","IUCrData","2016","1","10","x161543","","10.1107/S2414314616015431","","","0.71073","MoKα","","0.1173","0.0716","","","0.1382","0.1676","","","","","","1.129","","","","has coordinates,has Fobs","187349","2020-10-21","18:00:00",""
"1544294","8.8895","0.0007","8.9652","0.0007","19.6555","0.0015","95.093","0.003","95.922","0.003","98.563","0.003","1532.1","0.2","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","7,9-Didodecyl-6-methyl-3<i>H</i>,7<i>H</i>,8<i>H</i>,9<i>H</i>,9a<i>H</i>-[1,2,4]triazolo[4,3-<i>b</i>][1,2,4]triazepin-8-one","","- C30 H55 N5 O -","- C30 H55 N5 O -","- C60 H110 N10 O2 -","2","1","BH4015","El Bakri, Youness; Harmaoui, Abdallah; Sebhaoui, Jihad; Ramli, Youssef; Essassi, El Mokhtar; Mague, Joel T.","7,9-Didodecyl-6-methyl-3<i>H</i>,7<i>H</i>,8<i>H</i>,9<i>H</i>,9a<i>H</i>-[1,2,4]triazolo[4,3-<i>b</i>][1,2,4]triazepin-8-one","IUCrData","2016","1","10","x161587","","10.1107/S241431461601587X","","","1.54178","CuKα","","0.0535","0.0461","","","0.1272","0.1348","","","","","","1.058","","","","has coordinates,has Fobs","187350","2020-10-21","18:00:00",""
"1544295","8.0774","0.001","6.5801","0.0006","21.668","0.003","90","","98.24","0.005","90","","1139.8","0.2","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","(<i>E</i>)-4-Nitro-2-[(phenylimino)methyl]phenol","","- C13 H10 N2 O3 -","- C13 H10 N2 O3 -","- C52 H40 N8 O12 -","4","1","HG4016","Ida Malarselvi, R.; Ramachandra Raja, C.; Thiruvalluvar, A.; Priscilla, J.; Panneer Selvam, K.","(<i>E</i>)-4-Nitro-2-[(phenylimino)methyl]phenol","IUCrData","2016","1","10","x161595","","10.1107/S2414314616015959","","","0.71073","MoKα","","0.0963","0.0462","","","0.1063","0.1351","","","","","","1.036","","","","has coordinates,has Fobs","187351","2020-10-21","18:00:00",""
"1544296","18.249","0.003","5.9376","0.0011","18.227","0.003","90","","110.346","0.009","90","","1851.8","0.6","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","oxovanadium {(Z)-2-hydroxy-N-((E)-(2-oxidonaphthalen-1-yl)methylene)benzohydrazonate}ethanoate","","- C20 H17 N2 O5 V -","- C20 H17 N2 O5 V -","- C80 H68 N8 O20 V4 -","4","1","","Dash, Subhashree P.; Panda, Alok K.; Dhaka, Sarita; Pasayat, Sagarika; Biswas, Ashis; Maurya, Mannar R.; Majhi, Paresh Kumar; Crochet, Aurélien; Dinda, Rupam","A study of DNA/BSA interaction and catalytic potential of oxidovanadium(v) complexes with ONO donor ligands.","Dalton transactions (Cambridge, England : 2003)","2016","45","45","18292","18307","10.1039/c6dt03228a","","","0.71073","MoKα","","0.1296","0.0831","","","0.2028","0.256","","","","","","1.056","","","","has coordinates","190166","2020-10-21","18:00:00",""
"1544297","21.5608","0.0003","21.5608","0.0003","10.1344","0.0003","90","","90","","90","","4711.16","0.17","99.9","0.3","99.9","0.2","","","","","","","","5","P 4/n","-P 4a","85","","bis[oxovadnadium (Z)-2-hydroxy-N-((E)-(2-oxidonaphthalen-1-yl)methylene)benzohydrazonate ethanoate] 4,4'-bipyridine","","- C50 H42 N6 O10 V2 -","- C50 H42 N6 O10 V2 -","- C200 H168 N24 O40 V8 -","4","","","Dash, Subhashree P.; Panda, Alok K.; Dhaka, Sarita; Pasayat, Sagarika; Biswas, Ashis; Maurya, Mannar R.; Majhi, Paresh Kumar; Crochet, Aurélien; Dinda, Rupam","A study of DNA/BSA interaction and catalytic potential of oxidovanadium(v) complexes with ONO donor ligands.","Dalton transactions (Cambridge, England : 2003)","2016","45","45","18292","18307","10.1039/c6dt03228a","","","1.5418","CuKα","","0.0452","0.0377","","","0.0994","0.1054","","","","","","1.042","","","","has coordinates,has disorder","190166","2020-10-21","18:00:00",""
"1544298","17.9549","0.0011","5.7818","0.0003","55.027","0.003","90","","91.498","0.005","90","","5710.5","0.6","150","2","150","2","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","","","- C38 H26 N2 S -","- C38 H26 N2 S -","- C304 H208 N16 S8 -","8","1","","Jadhav, Thaksen; Dhokale, Bhausaheb; Patil, Yuvraj; Mobin, Shaikh M.; Misra, Rajneesh","Multi-Stimuli Responsive Donor‒Acceptor Tetraphenylethylene Substituted Benzothiadiazoles","The Journal of Physical Chemistry C","2016","120","42","24030","","10.1021/acs.jpcc.6b09015","","","1.5418","CuKα","","0.1152","0.0788","","","0.2292","0.2809","","","","","","1.066","","","","has coordinates","187939","2020-10-21","18:00:00",""
"1544299","5.9323","0.0003","9.0092","0.0005","28.6842","0.0016","91.068","0.004","90.99","0.004","101.891","0.004","1499.53","0.14","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C39 H28 N2 S -","- C39 H28 N2 S -","- C78 H56 N4 S2 -","2","1","","Jadhav, Thaksen; Dhokale, Bhausaheb; Patil, Yuvraj; Mobin, Shaikh M.; Misra, Rajneesh","Multi-Stimuli Responsive Donor‒Acceptor Tetraphenylethylene Substituted Benzothiadiazoles","The Journal of Physical Chemistry C","2016","120","42","24030","","10.1021/acs.jpcc.6b09015","","","0.71073","MoKα","","0.0967","0.061","","","0.1419","0.1647","","","","","","1.097","","","","has coordinates","187939","2020-10-21","18:00:00",""
"1544300","9.2584","0.0018","12.936","0.002","15.764","0.003","90","","90","","90","","1888","0.6","100","2","100","2","","","","","","","","3","F d d d :2","-F 2uv 2vw","70","","","","- C12 H8 N2 -","- C12 H8 N2 -","- C96 H64 N16 -","8","0.25","","Bajpai, Alankriti; Scott, Hayley S.; Pham, Tony; Chen, Kai-Jie; Space, Brian; Lusi, Matteo; Perry, Miranda L.; Zaworotko, Michael J.","Towards an understanding of the propensity for crystalline hydrate formation by molecular compounds","IUCrJ","2016","3","6","","","10.1107/S2052252516015633","","","0.71073","MoKα","","0.1183","0.0812","","","0.2058","0.2284","","","","","","1.144","","","","has coordinates","187406","2020-10-21","18:00:00",""
"1544301","22.1029","0.0005","5.6277","0.0001","7.5548","0.0002","90","","99.707","0.001","90","","926.28","0.04","113","2","113","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C26 H18 N2 -","- C26 H18 N2 -","- C52 H36 N4 -","2","0.5","","Bajpai, Alankriti; Scott, Hayley S.; Pham, Tony; Chen, Kai-Jie; Space, Brian; Lusi, Matteo; Perry, Miranda L.; Zaworotko, Michael J.","Towards an understanding of the propensity for crystalline hydrate formation by molecular compounds","IUCrJ","2016","3","6","","","10.1107/S2052252516015633","","","1.54178","CuKα","","0.0548","0.0464","","","0.1436","0.1519","","","","","","1.098","","","","has coordinates","187406","2020-10-21","18:00:00",""
"1544302","17.7436","0.0016","10.851","0.0011","7.5217","0.0007","90","","90","","90","","1448.2","0.2","100","2","100","2","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- C20 H12 N2 -","- C20 H12 N2 -","- C80 H48 N8 -","4","1","","Bajpai, Alankriti; Scott, Hayley S.; Pham, Tony; Chen, Kai-Jie; Space, Brian; Lusi, Matteo; Perry, Miranda L.; Zaworotko, Michael J.","Towards an understanding of the propensity for crystalline hydrate formation by molecular compounds","IUCrJ","2016","3","6","","","10.1107/S2052252516015633","","","1.54178","CuKα","","0.1506","0.0685","","","0.1328","0.1629","","","","","","1.011","","","","has coordinates","187406","2020-10-21","18:00:00",""
"1544303","14.957","0.003","4.8702","0.0009","11.199","0.002","90","","103.719","0.005","90","","792.5","0.3","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H16 N2 O2 -","- C20 H16 N2 O2 -","- C40 H32 N4 O4 -","2","0.5","","Bajpai, Alankriti; Scott, Hayley S.; Pham, Tony; Chen, Kai-Jie; Space, Brian; Lusi, Matteo; Perry, Miranda L.; Zaworotko, Michael J.","Towards an understanding of the propensity for crystalline hydrate formation by molecular compounds","IUCrJ","2016","3","6","","","10.1107/S2052252516015633","","","0.71073","MoKα","","0.1676","0.0784","","","0.1254","0.1498","","","","","","1.07","","","","has coordinates","187406","2020-10-21","18:00:00",""
"1544304","7.7923","0.0009","7.9651","0.0009","8.4455","0.001","102.627","0.003","95.961","0.003","114.174","0.003","455.51","0.09","273","2","273","2","","","","","","","","4","P -1","-P 1","2","","","","- C18 H22 N4 O4 -","- C18 H22 N4 O4 -","- C18 H22 N4 O4 -","1","0.5","","Bajpai, Alankriti; Scott, Hayley S.; Pham, Tony; Chen, Kai-Jie; Space, Brian; Lusi, Matteo; Perry, Miranda L.; Zaworotko, Michael J.","Towards an understanding of the propensity for crystalline hydrate formation by molecular compounds","IUCrJ","2016","3","6","","","10.1107/S2052252516015633","","","0.71073","MoKα","","0.1665","0.1018","","","0.1549","0.1736","","","","","","1.134","","","","has coordinates","187406","2020-10-21","18:00:00",""
"1544305","21.105","0.004","6.5848","0.0011","11.241","0.002","90","","90","","90","","1562.2","0.5","100","2","100","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C20 H20 N2 O0 -","- C20 H20 N2 -","- C80 H80 N8 -","4","1","","Bajpai, Alankriti; Scott, Hayley S.; Pham, Tony; Chen, Kai-Jie; Space, Brian; Lusi, Matteo; Perry, Miranda L.; Zaworotko, Michael J.","Towards an understanding of the propensity for crystalline hydrate formation by molecular compounds","IUCrJ","2016","3","6","","","10.1107/S2052252516015633","","","0.71073","MoKα","","0.1286","0.0745","","","0.1295","0.1467","","","","","","1.065","","","","has coordinates","187406","2020-10-21","18:00:00",""
"1544306","7.4431","0.0004","3.9111","0.0002","22.7679","0.0012","90","","99.239","0.004","90","","654.19","0.06","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H16 N2 O2 -","- C16 H16 N2 O2 -","- C32 H32 N4 O4 -","2","0.5","","Bajpai, Alankriti; Scott, Hayley S.; Pham, Tony; Chen, Kai-Jie; Space, Brian; Lusi, Matteo; Perry, Miranda L.; Zaworotko, Michael J.","Towards an understanding of the propensity for crystalline hydrate formation by molecular compounds","IUCrJ","2016","3","6","","","10.1107/S2052252516015633","","","1.54178","CuKα","","0.1322","0.0888","","","0.182","0.2074","","","","","","1.066","","","","has coordinates","187406","2020-10-21","18:00:00",""
"1544307","38.9915","0.0011","6.9971","0.0002","29.1584","0.0009","90","","130.424","0.002","90","","6056","0.4","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C12 H12 N9 O2.75 -","- C12 H12 N9 O2.75 -","- C192 H192 N144 O44 -","16","2","","Bajpai, Alankriti; Scott, Hayley S.; Pham, Tony; Chen, Kai-Jie; Space, Brian; Lusi, Matteo; Perry, Miranda L.; Zaworotko, Michael J.","Towards an understanding of the propensity for crystalline hydrate formation by molecular compounds","IUCrJ","2016","3","6","","","10.1107/S2052252516015633","","","1.54178","CuKα","","0.0744","0.0536","","","0.1288","0.1407","","","","","","1.036","","","","has coordinates","214153","2020-10-21","18:00:00",""
"1544308","7.1432","0.0002","13.35","0.0005","29.4794","0.001","90","","90","","90","","2811.21","0.16","295","2","295","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","Creatinium-4-methylbenzenesulfonate","{Amino[(carboxymethyl)(methyl)amino]methylidene}azanium 4-methylbenzenesulfonate","","- C11 H17 N3 O5 S -","- C11 H17 N3 O5 S -","- C88 H136 N24 O40 S8 -","8","1","HB4086","Thayanithi, V.; Kumar, P. Praveen; Gunasekaran, B.","Creatinium 4-methylbenzenesulfonate","IUCrData","2016","1","10","x161622","","10.1107/S2414314616016229","","","0.71073","MoKα","","0.0457","0.0381","","","0.0995","0.1079","","","","","","1.075","","","","has coordinates,has Fobs","187408","2020-10-21","18:00:00",""
"1544309","7.6704","0.0008","13.2898","0.0013","9.0627","0.0009","90","","107.22","0.006","90","","882.42","0.16","150","2","150","2","","","","","","","","4","P 1 c 1","P -2yc","7","","(<i>E</i>)-<i>N</i>'-Benzylidene-2-phenylquinoline-4-carbohydrazide","","- C23 H17 N3 O -","- C23 H17 N3 O -","- C46 H34 N6 O2 -","2","1","SU4080","Mague, Joel T.; Mohamed, Shaaban K.; Akkurt, Mehmet; Albayati, Mustafa R.; Ahmed, Ehab A.","(<i>E</i>)-<i>N</i>'-Benzylidene-2-phenylquinoline-4-carbohydrazide","IUCrData","2016","1","10","x161544","","10.1107/S2414314616015443","","","1.54178","CuKα","","0.0428","0.0369","","","0.0817","0.0868","","","","","","1.074","","","","has coordinates,has Fobs","187409","2020-10-21","18:00:00",""
"1544310","11.791","0.005","15.005","0.005","14.711","0.005","90","0.005","92.716","0.005","90","0.005","2599.8","1.7","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","4,4'-[(1<i>E</i>,1'<i>E</i>)-(2-Chloropyrimidine-4,6-diyl)bis(ethene-2,1-diyl)]bis(<i>N</i>,<i>N</i>-diethylaniline)","","- C28 H33 Cl N4 -","- C28 H33 Cl N4 -","- C112 H132 Cl4 N16 -","4","1","","Hu, Lei; Wang, Hui; Zhang, Qiong","4,4'-[(1<i>E</i>,1'<i>E</i>)-(2-Chloropyrimidine-4,6-diyl)bis(ethene-2,1-diyl)]bis(<i>N</i>,<i>N</i>-diethylaniline)","IUCrData","2016","1","10","x161590","","10.1107/S241431461601590X","","","0.71073","MoKα","","0.1714","0.0568","","","0.1361","0.2034","","","","","","0.907","","","","has coordinates,has Fobs","187410","2020-10-21","18:00:00",""
"1544311","6.0504","0.0011","10.2188","0.0013","10.8744","0.0016","106.062","0.012","102.923","0.014","103.358","0.014","598.14","0.18","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","Ethyl (naphthalen-2-yloxy)acetate","","- C14 H14 O3 -","- C14 H14 O3 -","- C28 H28 O6 -","2","1","HB4083","Madan Kumar, S.; Manju, N.; Kalluraya, Balakrishna; Byrappa, K.; Abdoh, M. M. M.","Ethyl (naphthalen-2-yloxy)acetate","IUCrData","2016","1","10","x161594","","10.1107/S2414314616015947","","","0.71073","MoKα","","0.1633","0.0827","","","0.1993","0.2589","","","","","","1.035","","","","has coordinates","187411","2020-10-21","18:00:00",""
"1544312","6.7439","0.0002","10.8441","0.0003","17.7415","0.0006","90","","100.732","0.0013","90","","1274.77","0.07","223","2","223","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","3-[5-(Pyridin-4-yl)-1,3,4-oxadiazol-2-yl]-4<i>H</i>-chromen-4-one","","- C16 H9 N3 O3 -","- C16 H9 N3 O3 -","- C64 H36 N12 O12 -","4","1","FF4010","Koh, Dongsoo","3-[5-(Pyridin-4-yl)-1,3,4-oxadiazol-2-yl]-4<i>H</i>-chromen-4-one","IUCrData","2016","1","10","x161625","","10.1107/S2414314616016254","","","0.71073","MoKα","","0.061","0.041","","","0.101","0.112","","","","","","1.065","","","","has coordinates,has Fobs","187412","2020-10-21","18:00:00",""
"1544313","9.2437","0.0008","9.2437","0.0008","47.683","0.004","90","","90","","120","","3528.5","0.5","100","2","100","2","","","","","","","","5","P 61","P 61","169","","Poly[tris{μ-2-[(dimethylamino)methyl]imidazolato-κ^3^<i>N</i>^1^,<i>N</i>^2^:<i>N</i>^3^}(nitrato-κ<i>O</i>)dizinc(II)]","","- C18 H30 N10 O3 Zn2 -","- C18 H30 N10 O3 Zn2 -","- C108 H180 N60 O18 Zn12 -","6","1","WM4025","Kuramoto, Takahiro; Sadakiyo, Masaaki; Yamauchi, Miho","Poly[tris{μ-2-[(dimethylamino)methyl]imidazolato-κ^3^<i>N</i>^1^,<i>N</i>^2^:<i>N</i>^3^}(nitrato-κ<i>O</i>)dizinc(II)]","IUCrData","2016","1","10","x161626","","10.1107/S2414314616016266","","","0.71069","MoKα","","0.0263","0.0246","","","0.0602","0.0607","","","","","","1.034","","","","has coordinates,has Fobs","187413","2020-10-21","18:00:00",""
"1544317","8.4155","0.0005","10.1342","0.0006","25.9099","0.0015","90","","90","","90","","2209.7","0.2","100.2","0.8","100.2","0.8","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","vernavosine methyl iodide","","","- C22 H29 I N2 O5 -","- C22 H29 I N2 O5 -","- C88 H116 I4 N8 O20 -","4","1","","Nge, Choy-Eng; Sim, Kae-Shin; Lim, Siew-Huah; Thomas, Noel F.; Low, Yun-Yee; Kam, Toh-Seok","A Hexacyclic, Iboga-Derived Monoterpenoid Indole with a Contracted Tetrahydroazepine C-Ring and Incorporation of an Isoxazolidine Moiety, a Seco-Corynanthean, an Aspidosperma-Aspidosperma Bisindole with Anticancer Properties, and the Absolute Configuration of the Pyridopyrimidine Indole Alkaloid, Vernavosine.","Journal of natural products","2016","79","10","2709","2717","10.1021/acs.jnatprod.6b00674","","","0.71073","MoKα","","0.0434","0.0381","","","0.0835","0.0861","","","","","","1.061","","","","has coordinates","187935","2020-10-21","18:00:00",""
"1544318","7.6879","0.0008","13.0251","0.0014","18.905","0.002","90","","90","","90","","1893.1","0.3","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","Cononuridine methyl iodide","","","- C20 H23 I N2 O2 -","- C20 H23 I N2 O2 -","- C80 H92 I4 N8 O8 -","4","1","","Nge, Choy-Eng; Sim, Kae-Shin; Lim, Siew-Huah; Thomas, Noel F.; Low, Yun-Yee; Kam, Toh-Seok","A Hexacyclic, Iboga-Derived Monoterpenoid Indole with a Contracted Tetrahydroazepine C-Ring and Incorporation of an Isoxazolidine Moiety, a Seco-Corynanthean, an Aspidosperma-Aspidosperma Bisindole with Anticancer Properties, and the Absolute Configuration of the Pyridopyrimidine Indole Alkaloid, Vernavosine.","Journal of natural products","2016","79","10","2709","2717","10.1021/acs.jnatprod.6b00674","","","0.71073","MoKα","","0.0606","0.0439","","","0.0974","0.1027","","","","","","0.938","","","","has coordinates","187935","2020-10-21","18:00:00",""
"1544319","7.7136","0.0004","12.8367","0.0005","26.8813","0.0011","90","","92.503","0.004","90","","2659.2","0.2","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C40 H76 N10 O20 S4 -","- C40 H76 N10 O20 S4 -","- C80 H152 N20 O40 S8 -","2","0.5","","Feng, Wei-Xu; van der Lee, Arie; Legrand, Yves-Marie; Petit, Eddy; Dumitrescu, Dan; Su, Cheng-Yong; Barboiu, Mihail","Adaptive Encapsulation of ω-Amino Acids and Their Guanidinium-Amide Congeners.","Organic letters","2016","18","21","5556","5559","10.1021/acs.orglett.6b02802","","","0.71073","MoKα","","0.1106","0.073","","","0.212","0.3003","","","","","","1.095","","","","has coordinates","187967","2020-10-21","18:00:00",""
"1544320","18.5465","0.0008","16.3492","0.0007","28.7869","0.0012","90","","90","","90","","8728.8","0.6","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C30 H54 N10 O17 S4 -","- C30 H54 N10 O17 S4 -","- C240 H432 N80 O136 S32 -","8","1","","Feng, Wei-Xu; van der Lee, Arie; Legrand, Yves-Marie; Petit, Eddy; Dumitrescu, Dan; Su, Cheng-Yong; Barboiu, Mihail","Adaptive Encapsulation of ω-Amino Acids and Their Guanidinium-Amide Congeners.","Organic letters","2016","18","21","5556","5559","10.1021/acs.orglett.6b02802","","","0.71073","MoKα","","0.0884","0.0551","","","0.1234","0.1428","","","","","","1.04","","","","has coordinates","187967","2020-10-21","18:00:00",""
"1544321","9.572","0.0002","19.0529","0.0004","22.861","0.0005","89.387","0.002","85.105","0.002","89.819","0.002","4153.81","0.15","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C28 H53 N2 Na2 O25.5 S4 -","- C28 H53 N2 Na2 O25.5 S4 -","- C112 H212 N8 Na8 O102 S16 -","4","2","","Feng, Wei-Xu; van der Lee, Arie; Legrand, Yves-Marie; Petit, Eddy; Dumitrescu, Dan; Su, Cheng-Yong; Barboiu, Mihail","Adaptive Encapsulation of ω-Amino Acids and Their Guanidinium-Amide Congeners.","Organic letters","2016","18","21","5556","5559","10.1021/acs.orglett.6b02802","","","0.71073","MoKα","","0.0678","0.0467","","","0.1169","0.1289","","","","","","1.018","","","","has coordinates","282761","2023-04-20","06:46:01",""
"1544322","12.658","0.0007","14.765","0.0006","19.6938","0.0011","102.257","0.004","99.362","0.005","103.809","0.004","3403.4","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C60 H102 N4 O20 S4 -","- C60 H102 N4 O20 S4 -","- C120 H204 N8 O40 S8 -","2","1","","Feng, Wei-Xu; van der Lee, Arie; Legrand, Yves-Marie; Petit, Eddy; Dumitrescu, Dan; Su, Cheng-Yong; Barboiu, Mihail","Adaptive Encapsulation of ω-Amino Acids and Their Guanidinium-Amide Congeners.","Organic letters","2016","18","21","5556","5559","10.1021/acs.orglett.6b02802","","","0.71073","MoKα","","0.1374","0.1206","","","0.286","0.2954","","","","","","1.211","","","","has coordinates","187967","2020-10-21","18:00:00",""
"1544323","7.6006","0.0007","10.2393","0.0007","12.7741","0.0008","96.042","0.005","101.703","0.006","91.37","0.006","967.02","0.13","175","2","175","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H48 N10 O16 S4 -","- C30 H48 N10 O16 S4 -","- C30 H48 N10 O16 S4 -","1","0.5","","Feng, Wei-Xu; van der Lee, Arie; Legrand, Yves-Marie; Petit, Eddy; Dumitrescu, Dan; Su, Cheng-Yong; Barboiu, Mihail","Adaptive Encapsulation of ω-Amino Acids and Their Guanidinium-Amide Congeners.","Organic letters","2016","18","21","5556","5559","10.1021/acs.orglett.6b02802","","","0.71073","MoKα","","0.0526","0.0433","","","0.0994","0.1055","","","","","","1.05","","","","has coordinates","187967","2020-10-21","18:00:00",""
"1544324","9.0606","0.0002","9.2632","0.0002","18.0169","0.0005","95.238","0.001","99.314","0.001","114.659","0.001","1334.71","0.06","243","2","243","2","","","","","","","","6","P -1","-P 1","2","","[Co(I){(DO)(DOH)pn}(PPh3)]","","- C29 H34 Co N4 O2 P -","- C29 H34 Co N4 O2 P -","- C58 H68 Co2 N8 O4 P2 -","2","1","","Brueggeller, Peter; Strabler, Christof; Sinn, Stephan; Pehn, Richard; Pann, Johann; Dutzler, Julian; Viertl, Wolfgang; Prock, Johannes; Ehrmann, Katharina; Weninger, Alexander; Kopacka, Holger; De Cola, Luisa","Stabilisation effects of phosphane ligands in the homogeneous approach of sunlight induced hydrogen production","Faraday Discuss.","2016","","","","","10.1039/C6FD00210B","","","0.71073","MoKα","","0.0651","0.0437","","","0.0818","0.0868","","","","","","1.057","","","","has coordinates","187445","2020-10-21","18:00:00",""
"1544325","15.072","0.0002","17.0259","0.0003","18.8998","0.0003","90","","90","","90","","4849.96","0.13","243","2","243","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","[Co(I){(DO)(DOH)pn}(PMePh2)]","","- C24 H32 Co N4 O2 P -","- C24 H32 Co N4 O2 P -","- C192 H256 Co8 N32 O16 P8 -","8","1","","Brueggeller, Peter; Strabler, Christof; Sinn, Stephan; Pehn, Richard; Pann, Johann; Dutzler, Julian; Viertl, Wolfgang; Prock, Johannes; Ehrmann, Katharina; Weninger, Alexander; Kopacka, Holger; De Cola, Luisa","Stabilisation effects of phosphane ligands in the homogeneous approach of sunlight induced hydrogen production","Faraday Discuss.","2016","","","","","10.1039/C6FD00210B","","","0.71073","MoKα","","0.072","0.0475","","","0.1022","0.1105","","","","","","1.018","","","","has coordinates","187445","2020-10-21","18:00:00",""
"1544326","17.6742","0.0003","13.931","0.0002","24.3295","0.0004","90","","107.34","0.0008","90","","5718.15","0.16","243","2","243","2","","","","","","","","8","P 1 n 1","P -2yac","7","","[Os(bpy)2(dppcb)Pd(dppm)](PF6)4","","- C99.54 H82 Cl5.08 F24 N4 Os P10 Pd -","- C99.54 H82 Cl5.08 F24 N4 Os P10 Pd -","- C199.08 H164 Cl10.16 F48 N8 Os2 P20 Pd2 -","2","1","","Brueggeller, Peter; Strabler, Christof; Sinn, Stephan; Pehn, Richard; Pann, Johann; Dutzler, Julian; Viertl, Wolfgang; Prock, Johannes; Ehrmann, Katharina; Weninger, Alexander; Kopacka, Holger; De Cola, Luisa","Stabilisation effects of phosphane ligands in the homogeneous approach of sunlight induced hydrogen production","Faraday Discuss.","2016","","","","","10.1039/C6FD00210B","","","0.71073","MoKα","","0.089","0.058","","","0.1184","0.1295","","","","","","1.027","","","","has coordinates","187445","2020-10-21","18:00:00",""
"1544327","5.37783","0.00014","5.37783","0.00014","11.75716","0.0003","90","","90","","90","","340.029","0.015","300","","300","","","","","","","","","5","I 41/a :2","-I 4ad","88","","","","- La1.33 Na1.33 O16 Sr1.33 W4 -","- La1.33333 Na1.33333 O16 Sr1.33333 W4 -","- La1.33333 Na1.33333 O16 Sr1.33333 W4 -","1","0.0625","","Lim, Chang Sung; Atuchin, Victor; Aleksandrovsky, Aleksandr; Molokeev, Maxim","Preparation of NaSrLa1-x(WO4)3:Ho3+/Yb3+ ternary tungstates and their upconversion photoluminescence properties","Materials Letters","2016","181","0","38","41","10.1016/j.matlet.2016.05.121","powder diffraction","x-ray","1.5406","CuKα~1~~2~","","","","","","","","","5.13","1.247","","","","","","","has coordinates,has Fobs","205493","2020-10-21","18:00:00",""
"1544328","5.360174","0.000093","5.360174","0.000093","11.71105","0.00022","90","","90","","90","","336.476","0.01","300","","300","","","","","","","","","6","I 41/a :2","-I 4ad","88","","","","- Ho0.27 La1.07 Na1.33 O16 Sr1.33 W4 -","- Ho0.266667 La1.06667 Na1.33333 O16 Sr1.33333 W4 -","- Ho0.266667 La1.06667 Na1.33333 O16 Sr1.33333 W4 -","1","0.0625","","Lim, Chang Sung; Atuchin, Victor; Aleksandrovsky, Aleksandr; Molokeev, Maxim","Preparation of NaSrLa1-x(WO4)3:Ho3+/Yb3+ ternary tungstates and their upconversion photoluminescence properties","Materials Letters","2016","181","0","38","41","10.1016/j.matlet.2016.05.121","powder diffraction","x-ray","1.5406","CuKα~1~~2~","","","","","","","","","3.51","1.176","","","","","","","has coordinates,has Fobs","205493","2020-10-21","18:00:00",""
"1544329","5.34372","0.0001","5.34372","0.0001","11.67359","0.00026","90","","90","","90","","333.343","0.012","300","","300","","","","","","","","","7","I 41/a :2","-I 4ad","88","","","","- Ho0.13 La0.93 Na1.33 O16 Sr1.33 W4 Yb0.27 -","- Ho0.133333 La0.933333 Na1.33333 O16 Sr1.33333 W4 Yb0.266667 -","- Ho0.133333 La0.933333 Na1.33333 O16 Sr1.33333 W4 Yb0.266667 -","1","0.0625","","Lim, Chang Sung; Atuchin, Victor; Aleksandrovsky, Aleksandr; Molokeev, Maxim","Preparation of NaSrLa1-x(WO4)3:Ho3+/Yb3+ ternary tungstates and their upconversion photoluminescence properties","Materials Letters","2016","181","0","38","41","10.1016/j.matlet.2016.05.121","powder diffraction","x-ray","1.5406","CuKα~1~~2~","","","","","","","","","3.83","1.224","","","","","","","has coordinates,has Fobs","205493","2020-10-21","18:00:00",""
"1544330","5.3257","0.00011","5.3257","0.00011","11.62354","0.00031","90","","90","","90","","329.679","0.013","300","","300","","","","","","","","","7","I 41/a :2","-I 4ad","88","","","","- Ho0.07 La0.67 Na1.33 O16 Sr1.33 W4 Yb0.6 -","- Ho0.0666667 La0.666667 Na1.33333 O16 Sr1.33333 W4 Yb0.6 -","- Ho0.0666667 La0.666667 Na1.33333 O16 Sr1.33333 W4 Yb0.6 -","1","0.0625","","Lim, Chang Sung; Atuchin, Victor; Aleksandrovsky, Aleksandr; Molokeev, Maxim","Preparation of NaSrLa1-x(WO4)3:Ho3+/Yb3+ ternary tungstates and their upconversion photoluminescence properties","Materials Letters","2016","181","0","38","41","10.1016/j.matlet.2016.05.121","powder diffraction","x-ray","1.5406","CuKα~1~~2~","","","","","","","","","2.6","1.177","","","","","","","has coordinates,has Fobs","205493","2020-10-21","18:00:00",""
"1544337","7.5729","0.0009","10.5422","0.0013","16.273","0.002","91.813","0.001","99.198","0.001","102.19","0.001","1250.7","0.3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C26 H36 B F2 N3 O -","- C26 H36 B F2 N3 O -","- C52 H72 B2 F4 N6 O2 -","2","1","","Li, Jin; Zhang, Qian; Yin, Jian; Yu, Changjiang; Cheng, Kai; Wei, Yun; Hao, Erhong; Jiao, Lijuan","Metal-Free and Versatile Synthetic Routes to Natural and Synthetic Prodiginines from Boron Dipyrrin.","Organic letters","2016","18","21","5696","5699","10.1021/acs.orglett.6b02924","","","0.71073","MoKα","","0.0631","0.0432","","","0.1099","0.123","","","","","","1.004","","","","has coordinates","187969","2020-10-21","18:00:00",""
"1544338","7.1123","0.0011","13.579","0.002","13.939","0.002","90","","100.474","0.002","90","","1323.8","0.3","293","2","293","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C11 H9 B Br2 F2 N2 O2 -","- C11 H9 B Br2 F2 N2 O2 -","- C44 H36 B4 Br8 F8 N8 O8 -","4","1","","Li, Jin; Zhang, Qian; Yin, Jian; Yu, Changjiang; Cheng, Kai; Wei, Yun; Hao, Erhong; Jiao, Lijuan","Metal-Free and Versatile Synthetic Routes to Natural and Synthetic Prodiginines from Boron Dipyrrin.","Organic letters","2016","18","21","5696","5699","10.1021/acs.orglett.6b02924","","","0.71073","MoKα","","0.1073","0.0992","","","0.3571","0.3795","","","","","","1.07","","","","has coordinates","187969","2020-10-21","18:00:00",""
"1544339","8.5071","0.0003","20.9755","0.0008","8.9099","0.0004","90","","90.173","0.003","90","","1589.88","0.11","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","[(Dimethylamino)methyl]dimethylazanium bis(trifluoromethanesulfonyl)amide","","- C7 H15 F6 N3 O4 S2 -","- C7 H15 F6 N3 O4 S2 -","- C28 H60 F24 N12 O16 S8 -","4","1","","Hummel, Michael; Laus, Gerhard; Kahlenberg, Volker; Schottenberger, Herwig","[(Dimethylamino)methyl]dimethylazanium bis(trifluoromethanesulfonyl)amide","IUCrData","2016","1","10","x161658","","10.1107/S2414314616016588","","","0.71073","MoKα","","0.0351","0.0318","","","0.0669","0.0681","","","","","","1.055","","","","has coordinates,has Fobs","187493","2020-10-21","18:00:00",""
"1544340","6.0265","0.0016","11.062","0.003","11.848","0.003","108.812","0.007","103.95","0.008","100.848","0.008","694.5","0.3","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","4-[(4-Hydroxymethyl-2<i>H</i>-1,2,3-triazol-2-yl)methyl]-6,8-dimethyl-2<i>H</i>-chromen-2-one","","- C15 H15 N3 O3 -","- C15 H15 N3 O3 -","- C30 H30 N6 O6 -","2","1","HB4087","El-Khatatneh, Nasseem; Chandra; Shamala, D.; Shivashankar, K.; Mahendra, M.","4-[(4-Hydroxymethyl-2<i>H</i>-1,2,3-triazol-2-yl)methyl]-6,8-dimethyl-2<i>H</i>-chromen-2-one","IUCrData","2016","1","10","x161644","","10.1107/S2414314616016448","","","1.54178","CuKα","","0.0423","0.0416","","","0.1134","0.1143","","","","","","1.039","","","","has coordinates,has Fobs","187494","2020-10-21","18:00:00",""
"1544341","10.6382","0.0007","7.6075","0.0005","19.8693","0.0013","90","","93.219","0.001","90","","1605.49","0.18","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Bis(μ-4-amino-<i>N</i>-oxidobenzamide)bis[(4-amino-<i>N</i>-oxidobenzamide)aquacobalt] dihydrate","","- C28 H36 Co2 N8 O12 -","- C28 H36 Co2 N8 O12 -","- C56 H72 Co4 N16 O24 -","2","0.5","SJ4066","Ding, Xulong; Li, Li","Bis(μ-4-amino-<i>N</i>-oxidobenzamide)bis[(4-amino-<i>N</i>-oxidobenzamide)aquacobalt] dihydrate","IUCrData","2016","1","10","x161640","","10.1107/S2414314616016400","","","0.71073","MoKα","","0.0501","0.0334","","","0.0778","0.0859","","","","","","0.946","","","","has coordinates,has Fobs","187495","2020-10-21","18:00:00",""
"1544342","8.1826","0.0009","25.666","0.003","31.715","0.004","90","","95.407","0.002","90","","6631","1.4","120","2","120","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C38 H26 F10 O6 -","- C38 H26 F10 O6 -","- C304 H208 F80 O48 -","8","2","","Grigalunas, Michael; Wiest, Olaf; Helquist, Paul","Single-Flask Multicomponent Synthesis of Highly Substituted α-Pyrones via a Sequential Enolate Arylation and Alkenylation Strategy.","Organic letters","2016","18","21","5724","5727","10.1021/acs.orglett.6b02969","","","0.71073","MoKα","","0.077","0.0545","","","0.1366","0.1502","","","","","","1.027","","","","has coordinates,has disorder","217275","2020-10-21","18:00:00",""
"1544343","27.9493","0.0007","14.6228","0.0004","26.5088","0.0007","90","","105.098","0.001","90","","10460.1","0.5","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C28 H26.5 Cl2 O9.25 -","- C28 H26.5 Cl2 O9.25 -","- C448 H424 Cl32 O148 -","16","4","","Grigalunas, Michael; Wiest, Olaf; Helquist, Paul","Single-Flask Multicomponent Synthesis of Highly Substituted α-Pyrones via a Sequential Enolate Arylation and Alkenylation Strategy.","Organic letters","2016","18","21","5724","5727","10.1021/acs.orglett.6b02969","","","1.54184","CuKα","","0.0756","0.0722","","","0.1908","0.1934","","","","","","1.076","","","","has coordinates,has disorder","217275","2020-10-21","18:00:00",""
"1544348","10.178","0.004","10.104","0.004","12.72","0.005","90","","108.216","0.006","90","","1242.5","0.8","293","2","293","2","","","","","","","","5","P 1 c 1","P -2yc","7","","","","- C11 H17 N O Si -","- C11 H17 N O Si -","- C44 H68 N4 O4 Si4 -","4","2","","Liu, Pei; Tang, Jinghua; Zeng, Xiaoming","Site-Selective Silylation of Aliphatic C-H Bonds Mediated by [1,5]-Hydrogen Transfer: Synthesis of α-Sila Benzamides.","Organic letters","2016","18","21","5536","5539","10.1021/acs.orglett.6b02784","","","0.71073","MoKα","","0.1578","0.133","","","0.3229","0.353","","","","","","1.261","","","","has coordinates","187970","2020-10-21","18:00:00",""
"1544354","11.701","0.002","10.947","0.002","7.4253","0.0015","90","","107.68","0.03","90","","906.2","0.3","113","2","113","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","4-Carboxy-2-(pyridinium-2-yl)-1<i>H</i>-imidazole-5-carboxylate","","- C10 H7 N3 O4 -","- C10 H7 N3 O4 -","- C40 H28 N12 O16 -","4","1","","Zhang, Kanglong; Qi, Xiaojin; Yuan, Bingnian","Zwitterionic 4-carboxy-2-(pyridinium-2-yl)-1<i>H</i>-imidazole-5-carboxylate","IUCrData","2016","1","10","x161641","","10.1107/S2414314616016412","","","0.71073","MoKα","","0.0527","0.0469","","","0.1193","0.1243","","","","","","1.002","","","","has coordinates,has Fobs","187573","2020-10-21","18:00:00",""
"1544355","13.1921","0.0009","7.5999","0.0005","15.2507","0.0011","90","","105.223","0.007","90","","1475.36","0.18","150","","150","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C7 H4 S3 -","- C7 H4 S3 -","- C56 H32 S24 -","8","1","","Boukebbous, Khaled; Laifa, El Adoui; De Mallmann, Aimery","3<i>H</i>-1,2-Benzodithiole-3-thione","IUCrData","2016","1","10","x161688","","10.1107/S2414314616016886","","","0.71073","MoKα","","0.0626","0.0588","","0.1737","0.1688","0.1737","","","","","","1.0434","","","","has coordinates,has Fobs","187574","2020-10-21","18:00:00",""
"1544365","13.6637","0.0007","5.6795","0.0003","13.4061","0.0007","90","","96.068","0.002","90","","1034.52","0.09","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C13 H10 O S -","- C13 H10 O S -","- C52 H40 O4 S4 -","4","1","","Wang, Ming; Fan, Qiaoling; Jiang, Xuefeng","Transition-Metal-Free Diarylannulated Sulfide and Selenide Construction via Radical/Anion-Mediated Sulfur-Iodine and Selenium-Iodine Exchange.","Organic letters","2016","18","21","5756","5759","10.1021/acs.orglett.6b03078","","","0.71073","MoKα","","0.0415","0.0326","","","0.0829","0.0894","","","","","","1.031","","","","has coordinates","187968","2020-10-21","18:00:00",""
"1544366","16.0575","0.0012","11.4137","0.0009","21.6746","0.0017","90","","90","","90","","3972.4","0.5","130","","130","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C26 H19 I -","- C26 H19 I -","- C208 H152 I8 -","8","1","","Wang, Ming; Fan, Qiaoling; Jiang, Xuefeng","Transition-Metal-Free Diarylannulated Sulfide and Selenide Construction via Radical/Anion-Mediated Sulfur-Iodine and Selenium-Iodine Exchange.","Organic letters","2016","18","21","5756","5759","10.1021/acs.orglett.6b03078","","","0.71073","MoKα","","0.0681","0.0572","","","0.1044","0.1093","","","","","","1.203","","","","has coordinates,has disorder","187968","2020-10-21","18:00:00",""
"1544367","9.044","0.0016","9.044","0.0016","40.737","0.01","90","","90","","120","","2885.6","1","293","2","293","2","","","","","","","","6","P 32 2 1","P 32 2""","154","","","","- C19 H20.24 Cl2 Co N4 O0.12 -","- C19 H20 Cl2 Co N4 O0.122 -","- C114 H120 Cl12 Co6 N24 O0.732 -","6","1","","Wang, Junfei; Li, Chao; Zhou, Qianxiong; Wang, Weibo; Hou, Yuanjun; Zhang, Baowen; Wang, Xuesong","A polypyridyl Co(ii) complex-based water reduction catalyst with double H2 evolution sites","Catal. Sci. Technol.","2016","6","24","8482","","10.1039/C6CY01897A","","","0.71073","MoKα","","0.0651","0.0535","","","0.1076","0.1154","","","","","","1.001","","","","has coordinates","198632","2020-10-21","18:00:00",""
"1544368","14.188","0.007","6.883","0.003","21.321","0.011","90","","107.131","0.009","90","","1989.7","1.7","153","2","153","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","CoHO-TMPAClCl? CoTMPAClCl","CoBr-TMPACl2","","- C18 H17 Br Cl2 Co N4 -","- C18 H17 Br Cl2 Co N4 -","- C72 H68 Br4 Cl8 Co4 N16 -","4","1","","Wang, Junfei; Li, Chao; Zhou, Qianxiong; Wang, Weibo; Hou, Yuanjun; Zhang, Baowen; Wang, Xuesong","A polypyridyl Co(ii) complex-based water reduction catalyst with double H2 evolution sites","Catal. Sci. Technol.","2016","6","24","8482","","10.1039/C6CY01897A","","","0.71073","MoKα","","0.1142","0.0832","","","0.2212","0.2487","","","","","","0.999","","","","has coordinates","198632","2020-10-21","18:00:00",""
"1544383","16.708","0.002","10.3275","0.0015","17.209","0.003","90","","110.656","0.002","90","","2778.6","0.7","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C32 H31 N3 O2 S -","- C32 H31 N3 O2 S -","- C128 H124 N12 O8 S4 -","4","1","","Li, Lixin; Liu, Peipei; Su, Yijin; Huang, Hanmin","Palladium-Catalyzed Aminomethylamination and Aromatization of Aminoalkenes with Aminals via C-N Bond Activation.","Organic letters","2016","18","21","5736","5739","10.1021/acs.orglett.6b03001","","","0.71073","MoKα","","0.0582","0.042","","","0.0895","0.098","","","","","","1.006","","","","has coordinates","187966","2020-10-21","18:00:00",""
"1544384","13.134","0.002","9.8729","0.0017","29.105","0.005","90","","93.355","0.003","90","","3767.6","1.1","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C18 H17 F3 N2 O2 S -","- C18 H17 F3 N2 O2 S -","- C144 H136 F24 N16 O16 S8 -","8","2","","Li, Lixin; Liu, Peipei; Su, Yijin; Huang, Hanmin","Palladium-Catalyzed Aminomethylamination and Aromatization of Aminoalkenes with Aminals via C-N Bond Activation.","Organic letters","2016","18","21","5736","5739","10.1021/acs.orglett.6b03001","","","0.71073","MoKα","","0.1073","0.0714","","","0.1853","0.211","","","","","","1.004","","","","has coordinates","187966","2020-10-21","18:00:00",""
"1544392","2.97065","0.00008","2.97065","0.00008","13.9033","0.00004","90","","90","","120","","106.256","0.004","","","","","","","","","","","","4","R -3 m","-R 3 2""","166","Mg2.45Si1.19O6D2.32","","phase E","- D2.32 Mg2.45 O6 Si1.19 -","- D2.322 Mg2.4531 O6 Si1.194 -","- D2.322 Mg2.4531 O6 Si1.194 -","1","","","Tomioka, N.; Okuchi, T.; Purevjav, N.; Abe, J.; Harjo, S.","Hydrogen sites in the dense hydrous magnesium silicate phase E: a pulsed neutron powder diffraction study","Physics and Chemistry of Minerals","2016","43","","267","475","","","","","","","","","","","","","","","","","","","","","","has coordinates","187655","2020-10-21","18:00:00",""
"1544393","2.97065","0.00008","2.97065","0.00008","13.9033","0.00004","90","","90","","120","","106.256","0.004","","","","","","","","","","","","4","R -3 m","-R 3 2""","166","Mg2.28Si1.31O6D2.22","","phase E","- D2.22 Mg2.28 O6 Si1.31 -","- D2.2176 Mg2.214 O6 Si1.3068 -","- D2.2176 Mg2.214 O6 Si1.3068 -","1","","","Tomioka, N.; Okuchi, T.; Purevjav, N.; Abe, J.; Harjo, S.","Hydrogen sites in the dense hydrous magnesium silicate phase E: a pulsed neutron powder diffraction study :tilted O-D dipole model","Physics and Chemistry of Minerals","2016","43","","267","475","","","","","","","","","","","","","","","","","","","","","","has coordinates","187656","2020-10-21","18:00:00",""
"1544394","7.6465","0.0007","11.1436","0.0011","11.8808","0.0009","116.215","0.002","94.594","0.003","107.174","0.003","841.15","0.13","103","2","103","2","","","","","","","","3","P -1","-P 1","2","","","","- C23 H22 O -","- C23 H22 O -","- C46 H44 O2 -","2","1","","Chen, Xiaoyu; Day, David Philip; Teo, Wan Teng; Chan, Philip Wai Hong","Gold- and Brønsted Acid-Catalyzed Cycloisomerization of 1,8-Diynyl Vinyl Acetates to Bicyclo[2.2.1]hept-2-en-7-ones.","Organic letters","2016","18","22","5936","","10.1021/acs.orglett.6b03049","","","0.71073","MoKα","","0.0676","0.0482","","","0.1247","0.1512","","","","","","1.089","","","","has coordinates","188911","2020-10-21","18:00:00",""
"1544395","9.4893","0.0013","13.5903","0.0019","9.0554","0.0012","90","","94.896","0.002","90","","1163.5","0.3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","1-[(<i>E</i>)-(3-Hydroxy-4-methoxybenzylidene)amino]-3-methylthiourea","","- C10 H13 N3 O2 S -","- C10 H13 N3 O2 S -","- C40 H52 N12 O8 S4 -","4","1","","Arafath, Md. Azharul; Adam, Farook; Razali, Mohd. R.","1-[(<i>E</i>)-(3-Hydroxy-4-methoxybenzylidene)amino]-3-methylthiourea","IUCrData","2016","1","10","x161599","","10.1107/S2414314616015996","","","0.71073","MoKα","","0.0654","0.0434","","","0.1038","0.1206","","","","","","1.057","","","","has coordinates,has Fobs","187663","2020-10-21","18:00:00",""
"1544396","4.5974","0.0003","30.675","0.002","13.809","0.0009","90","","91.961","0.001","90","","1946.3","0.2","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","5-Methoxy-2-{[(4-methoxy-3,5-dimethylpyridin-2-yl)methyl)]sulfinyl}-1-(prop-2-yn-1-yl)-1<i>H</i>-benzimidazole","","- C20 H21 N3 O3 S -","- C20 H21 N3 O3 S -","- C80 H84 N12 O12 S4 -","4","1","SU4087","El Bakri, Youness; Ramli, Youssef; Harmaoui, Abdallah; Elhafi, Mohamed; Essassi, El Mokhtar; Mague, Joel T.","5-Methoxy-2-{[(4-methoxy-3,5-dimethylpyridin-2-yl)methyl)]sulfinyl}-1-(prop-2-yn-1-yl)-1<i>H</i>-benzimidazole","IUCrData","2016","1","10","x161695","","10.1107/S2414314616016953","","","0.71073","MoKα","","0.1019","0.0825","","","0.2167","0.2257","","","","","","1.099","","","","has coordinates,has Fobs","187664","2020-10-21","18:00:00",""
"1544397","24.392","0.003","5.9336","0.0008","12.3651","0.0016","90","","100.828","0.008","90","","1757.8","0.4","296","","296","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","1-(2'-Ethoxy-4'-fluoro-[1,1'-biphenyl]-4-yl)-4-phenyl-1<i>H</i>-1,2,3-triazole","","- C22 H18 F N3 O -","- C22 H18 F N3 O -","- C88 H72 F4 N12 O4 -","4","1","HG4017","Gilandoust, Maryam; Naveen, S.; Harsha, K. B.; Lokanath, N. K.; Rangappa, K. S.","1-(2'-Ethoxy-4'-fluoro-[1,1'-biphenyl]-4-yl)-4-phenyl-1<i>H</i>-1,2,3-triazole","IUCrData","2016","1","10","x161712","","10.1107/S2414314616017120","","","1.54178","CuKα","","0.0676","0.0458","","","0.1249","0.1398","","","","","","1.039","","","","has coordinates,has Fobs","187665","2020-10-21","18:00:00",""
"1544398","8.895","0.005","7.648","0.005","15.091","0.005","90","","98.566","0.005","90","","1015.2","0.9","298","2","298","2","","","","","","","","4","P 1 21 1","P 2yb","4","","(<i>E</i>)-4-({[4-(Benzo[<i>d</i>]thiazol-2-yl)phenyl]imino}methyl)-<i>N</i>,<i>N</i>-diethylaniline","","- C24 H23 N3 S -","- C24 H23 N3 S -","- C48 H46 N6 S2 -","2","1","","Yao, Shun; Zhang, Xin","(<i>E</i>)-4-({[4-(Benzo[<i>d</i>]thiazol-2-yl)phenyl]imino}methyl)-<i>N</i>,<i>N</i>-diethylaniline","IUCrData","2016","1","10","x161621","","10.1107/S2414314616016217","","","0.71069","MoKα","","0.0558","0.0441","","","0.1129","0.122","","","","","","1.044","","","","has coordinates,has Fobs","187666","2020-10-21","18:00:00",""
"1544399","9.8203","0.0004","10.6193","0.0004","22.5202","0.0009","90","","98.098","0.001","90","","2325.09","0.16","200","2","200","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","2,5-Bis[(dimethylamino)methyl]-1<i>H</i>-pyrrole","","- C10 H19 N3 -","- C10 H19 N3 -","- C80 H152 N24 -","8","2","LH5824","Guo, Zhiqiang; Li, Pengxiang; Feng, Pengcheng; Liu, Kai; Wei, Xuehong","2,5-Bis[(dimethylamino)methyl]-1<i>H</i>-pyrrole","IUCrData","2016","1","10","x161617","","10.1107/S2414314616016175","","","0.71073","MoKα","","0.0564","0.0476","","","0.1122","0.1197","","","","","","0.998","","","","has coordinates,has Fobs","187667","2020-10-21","18:00:00",""
"1544400","14.3387","0.0016","25.331","0.003","9.8536","0.0012","90","","90","","90","","3579","0.7","173","2","173","2","","","","","","","","4","P n a 21","P 2c -2n","33","","5,31-Diaza-2,8,15,18,21,28,34,41,44,47-decaoxaheptacyclo[46.4.0.0^4,32^.0^6,30^.0^9,14^.0^22,27^.0^35,40^]dopentaconta-1(48),4,6(30),9(14),10,12,22(27),23,25,31,35(40),36,38,49,51-pentadecaene monohydrate","","- C40 H42 N2 O11 -","- C40 H42 N2 O11 -","- C160 H168 N8 O44 -","4","1","BH4016","Kim, Jong Sik; Lee, Jai Young; Lee, So Yeon; Lee, Tae Yeon; Sim, Wonbo","5,31-Diaza-2,8,15,18,21,28,34,41,44,47-decaoxaheptacyclo[46.4.0.0^4,32^.0^6,30^.0^9,14^.0^22,27^.0^35,40^]dopentaconta-1(48),4,6(30),9(14),10,12,22(27),23,25,31,35(40),36,38,49,51-pentadecaene monohydrate","IUCrData","2016","1","10","x161698","","10.1107/S2414314616016989","","","0.71073","MoKα","","0.1199","0.0473","","","0.0756","0.1055","","","","","","1.004","","","","has coordinates,has disorder,has Fobs","187670","2020-10-21","18:00:00",""
"1544401","8.9099","0.0012","24.55","0.003","7.2359","0.0011","90","","90","","90","","1582.8","0.4","293","2","293","2","","","","","","","","4","P n a 21","P 2c -2n","33","","6-<i>tert</i>-Butyl-4-[(4-hydroxymethyl-2<i>H</i>-1,2,3-triazol-2-yl)methyl]-2<i>H</i>-chromen-2-one","","- C17 H19 N3 O3 -","- C17 H19 N3 O3 -","- C68 H76 N12 O12 -","4","1","SU4083","El-Khatatneh, Nasseem; Chandra; Shamala, D.; Shivashankar, K.; Mahendra, M.","6-<i>tert</i>-Butyl-4-[(4-hydroxymethyl-2<i>H</i>-1,2,3-triazol-2-yl)methyl]-2<i>H</i>-chromen-2-one","IUCrData","2016","1","10","x161618","","10.1107/S2414314616016187","","","1.54178","CuKα","","0.0301","0.0299","","","0.0797","0.0799","","","","","","1.065","","","","has coordinates,has disorder,has Fobs","187671","2020-10-21","18:00:00",""
"1544402","34.026","0.005","10.447","0.005","8.967","0.005","90","0.005","97.601","0.005","90","0.005","3159","2","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","(<i>E</i>)-4-(Benzo[<i>d</i>]thiazol-2-yl)-<i>N</i>-(pyridin-3-ylmethylidene)aniline hemihydrate","","- C19 H14 N3 O0.5 S -","- C19 H14 N3 O0.5 S -","- C152 H112 N24 O4 S8 -","8","1","","Hong, Li; Xin, Zhang","(<i>E</i>)-4-(Benzo[<i>d</i>]thiazol-2-yl)-<i>N</i>-(pyridin-3-ylmethylidene)aniline hemihydrate","IUCrData","2016","1","10","x161608","","10.1107/S2414314616016084","","","0.71069","MoKα","","0.0409","0.0338","","","0.114","0.1309","","","","","","1.089","","","","has coordinates,has Fobs","187672","2020-10-21","18:00:00",""
"1544403","22.8977","0.0005","5.9947","0.0001","24.0352","0.0007","90","","93.297","0.002","90","","3293.73","0.13","298","2","298","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","2-Oxo-2<i>H</i>-chromen-3-yl 4-<i>tert</i>-butylbenzoate","","- C20 H18 O4 -","- C20 H18 O4 -","- C160 H144 O32 -","8","1","ZP4009","Kambo, Konan René; Sosso, Siaka; Djandé, Abdoulaye; Kakou-Yao, Rita; Tenon, Abodou Jules","2-Oxo-2<i>H</i>-chromen-3-yl 4-<i>tert</i>-butylbenzoate","IUCrData","2016","1","10","x161633","","10.1107/S2414314616016333","","","0.71073","MoKα","","0.0514","0.0482","","","0.1248","0.1266","","","","","","1.12","","","","has coordinates,has Fobs","187673","2020-10-21","18:00:00",""
"1544407","6.9628","0.0009","14.115","0.0015","14.1917","0.0014","112.085","0.005","96.677","0.007","97.399","0.007","1260.9","0.3","162","2","162","2","","","","","","","","6","P -1","-P 1","2","","","","- C27 H25 Br N2 O5 S2 -","- C27 H25 Br N2 O5 S2 -","- C54 H50 Br2 N4 O10 S4 -","2","1","","Finkler, Björn; Riemann, Iris; Vester, Michael; Grüter, Andreas; Stracke, Frank; Jung, Gregor","Monomolecular pyrenol-derivatives as multi-emissive probes for orthogonal reactivities.","Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology","2016","15","12","1544","1557","10.1039/c6pp00290k","","","0.71073","MoKα","","0.0712","0.0488","","","0.1173","0.1295","","","","","","1.057","","","","has coordinates","190276","2020-10-21","18:00:00",""
"1544415","11.3157","0.0004","38.855","0.0013","13.6376","0.0006","90","","113.036","0.005","90","","5517.9","0.4","104.7","","104.7","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C30 H48 O5 -","- C30 H48 O5 -","- C240 H384 O40 -","8","4","","Lv, Xiao-Jing; Li, Yong; Ma, Shuang-Gang; Qu, Jing; Liu, Yun-Bao; Li, Yu-Huan; Zhang, Dan; Li, Li; Yu, Shi-Shan","Antiviral Triterpenes from the Twigs and Leaves of Lyonia ovalifolia","Journal of Natural Products","2016","","","","","10.1021/acs.jnatprod.6b00585","","","1.5418","CuKα","","0.0529","0.0506","","","0.1316","0.134","","","","","","1.022","","","","has coordinates","187692","2020-10-21","18:00:00",""
"1544416","6.2924","0.0003","7.7144","0.0004","38.6461","0.0019","90","","93.863","0.003","90","","1871.7","0.16","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","0334-107-3","zuckermann31","","- C22 H26 N2 O2 -","- C22 H26 N2 O2 -","- C88 H104 N8 O8 -","4","1","","Robertson, Ellen J.; Proulx, Caroline; Su, Jessica K.; Garcia, Rita L.; Yoo, Stan; Nehls, Eric M.; Connolly, Michael D.; Taravati, Laudann; Zuckermann, Ronald N.","Molecular Engineering of the Peptoid Nanosheet Hydrophobic Core.","Langmuir : the ACS journal of surfaces and colloids","2016","32","45","11946","","10.1021/acs.langmuir.6b02735","","","1.54178","CuKα","","0.1726","0.1624","","","0.3973","0.402","","","","","","1.142","","","","has coordinates","204147","2020-10-21","18:00:00",""
"1544417","6.289","0.0002","7.8879","0.0002","40.5613","0.0012","90","","93.043","0.002","90","","2009.29","0.1","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","0334-84-01","zuckermann28","","- C24 H30 N2 O2 -","- C24 H30 N2 O2 -","- C96 H120 N8 O8 -","4","1","","Robertson, Ellen J.; Proulx, Caroline; Su, Jessica K.; Garcia, Rita L.; Yoo, Stan; Nehls, Eric M.; Connolly, Michael D.; Taravati, Laudann; Zuckermann, Ronald N.","Molecular Engineering of the Peptoid Nanosheet Hydrophobic Core.","Langmuir : the ACS journal of surfaces and colloids","2016","32","45","11946","","10.1021/acs.langmuir.6b02735","","","1.54178","CuKα","","0.1096","0.0841","","","0.179","0.1874","","","","","","1.093","","","","has coordinates","204147","2020-10-21","18:00:00",""
"1544418","19.5375","0.0004","5.7715","0.0001","8.0452","0.0002","90","","91.793","0.001","90","","906.74","0.03","200","2","200","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","383_35","zuckermann27","","- C20 H21 Cl N2 O2 -","- C20 H21 Cl N2 O2 -","- C40 H42 Cl2 N4 O4 -","2","0.5","","Robertson, Ellen J.; Proulx, Caroline; Su, Jessica K.; Garcia, Rita L.; Yoo, Stan; Nehls, Eric M.; Connolly, Michael D.; Taravati, Laudann; Zuckermann, Ronald N.","Molecular Engineering of the Peptoid Nanosheet Hydrophobic Core.","Langmuir : the ACS journal of surfaces and colloids","2016","32","45","11946","","10.1021/acs.langmuir.6b02735","","","1.54178","CuKα","","0.0607","0.0481","","","0.1153","0.1235","","","","","","1.064","","","","has coordinates,has disorder","204147","2020-10-21","18:00:00",""
"1544419","15.0462","0.0003","6.2345","0.0002","32.4582","0.0007","90","","96.519","0.001","90","","3025.07","0.13","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","JS-DKP-13dimethylphenyl","zuckermann25","","- C24 H30 N2 O2 -","- C24 H30 N2 O2 -","- C144 H180 N12 O12 -","6","1.5","","Robertson, Ellen J.; Proulx, Caroline; Su, Jessica K.; Garcia, Rita L.; Yoo, Stan; Nehls, Eric M.; Connolly, Michael D.; Taravati, Laudann; Zuckermann, Ronald N.","Molecular Engineering of the Peptoid Nanosheet Hydrophobic Core.","Langmuir : the ACS journal of surfaces and colloids","2016","32","45","11946","","10.1021/acs.langmuir.6b02735","","","1.54178","CuKα","","0.0487","0.04","","","0.1018","0.1072","","","","","","1.043","","","","has coordinates","204147","2020-10-21","18:00:00",""
"1544420","9.6897","0.0011","5.9729","0.0007","16.0765","0.0017","90","","90.997","0.005","90","","930.3","0.18","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","0334-84-03","zuckermann29","","- C22 H26 N2 O2 -","- C22 H26 N2 O2 -","- C44 H52 N4 O4 -","2","0.5","","Robertson, Ellen J.; Proulx, Caroline; Su, Jessica K.; Garcia, Rita L.; Yoo, Stan; Nehls, Eric M.; Connolly, Michael D.; Taravati, Laudann; Zuckermann, Ronald N.","Molecular Engineering of the Peptoid Nanosheet Hydrophobic Core.","Langmuir : the ACS journal of surfaces and colloids","2016","32","45","11946","","10.1021/acs.langmuir.6b02735","","","0.71073","MoKα","","0.0822","0.052","","","0.1202","0.138","","","","","","1.06","","","","has coordinates","204147","2020-10-21","18:00:00",""
"1544421","36.811","0.003","6.3458","0.0005","8.754","0.0007","90","","97.952","0.005","90","","2025.2","0.3","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","JJ-2-53-#6","zuckermann04","","- C24 H30 N2 O2 -","- C24 H30 N2 O2 -","- C96 H120 N8 O8 -","4","0.5","","Robertson, Ellen J.; Proulx, Caroline; Su, Jessica K.; Garcia, Rita L.; Yoo, Stan; Nehls, Eric M.; Connolly, Michael D.; Taravati, Laudann; Zuckermann, Ronald N.","Molecular Engineering of the Peptoid Nanosheet Hydrophobic Core.","Langmuir : the ACS journal of surfaces and colloids","2016","32","45","11946","","10.1021/acs.langmuir.6b02735","","","1.54178","CuKα","","0.0548","0.0506","","","0.1632","0.1675","","","","","","1.188","","","","has coordinates","204147","2020-10-21","18:00:00",""
"1544422","11.3119","0.0002","7.3309","0.0002","22.1215","0.0005","90","","90","","90","","1834.46","0.07","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","0334-107-2","zuckermann30","","- C22 H26 N2 O2 -","- C22 H26 N2 O2 -","- C88 H104 N8 O8 -","4","0.5","","Robertson, Ellen J.; Proulx, Caroline; Su, Jessica K.; Garcia, Rita L.; Yoo, Stan; Nehls, Eric M.; Connolly, Michael D.; Taravati, Laudann; Zuckermann, Ronald N.","Molecular Engineering of the Peptoid Nanosheet Hydrophobic Core.","Langmuir : the ACS journal of surfaces and colloids","2016","32","45","11946","","10.1021/acs.langmuir.6b02735","","","1.54178","CuKα","","0.0583","0.0423","","","0.0982","0.1082","","","","","","1.035","","","","has coordinates","204147","2020-10-21","18:00:00",""
"1544423","5.6649","0.0004","19.698","0.002","20.708","0.0015","90","","90","","90","","2310.7","0.3","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","ZL-04171","","","- C12 H12 F N O3 -","- C12 H12 F N O3 -","- C96 H96 F8 N8 O24 -","8","2","","Wu, Hongmiao; Yang, Bin; Zhu, Lin; Lu, Ronghua; Li, Guigen; Lu, Hongjian","High-Valent Palladium-Promoted Formal Wagner-Meerwein Rearrangement.","Organic letters","2016","18","22","5804","","10.1021/acs.orglett.6b02706","","","1.54178","CuKα","","0.1291","0.0639","","","0.0809","0.1063","","","","","","0.941","","","","has coordinates","188912","2020-10-21","18:00:00",""
"1544424","8.5173","0.0009","5.5799","0.0006","28.549","0.003","90","","95.813","0.001","90","","1349.8","0.2","298","2","298","2","","","","","","","","5","P 1 c 1","P -2yc","7","zl-i-04151","","","- C16 H12 F N O3 -","- C16 H12 F N O3 -","- C64 H48 F4 N4 O12 -","4","2","","Wu, Hongmiao; Yang, Bin; Zhu, Lin; Lu, Ronghua; Li, Guigen; Lu, Hongjian","High-Valent Palladium-Promoted Formal Wagner-Meerwein Rearrangement.","Organic letters","2016","18","22","5804","","10.1021/acs.orglett.6b02706","","","0.71073","MoKα","","0.1656","0.1117","","","0.2685","0.2946","","","","","","1.095","","","","has coordinates","188912","2020-10-21","18:00:00",""
"1544436","8.2623","0.0008","16.1821","0.0015","9.4702","0.0009","90","","111.917","0.001","90","","1174.66","0.19","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","(H2dab)[Mn2(ox)3].6H2O","Poly[butane-1,4-diammonium [tri-μ-oxalato-dimanganese(II)] hexahydrate]","","- C10 H26 Mn2 N2 O18 -","- C10 H26 Mn2 N2 O18 -","- C20 H52 Mn4 N4 O36 -","2","0.5","SJ4065","Sadakiyo, Masaaki; Yamada, Teppei; Kitagawa, Hiroshi","Poly[butane-1,4-diammonium [tri-μ-oxalato-dimanganese(II)] hexahydrate]","IUCrData","2016","1","11","x161639","","10.1107/S2414314616016394","","","0.71069","MoKα","","0.024","0.0222","","","0.0546","0.0562","","","","","","1.071","","","","has coordinates,has Fobs","187747","2020-10-21","18:00:00",""
"1544437","11.7947","0.0009","14.2221","0.0011","18.7864","0.0015","90","","90","","90","","3151.3","0.4","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","<i>R</i>-Camphor-4-phenylthiosemicarbazone","4-Phenyl-1-[(1<i>R</i>,4<i>R</i>)-1,7,7-trimethyl-2-oxobicyclo[2.2.1]heptan-3-ylidene]hydrazinecarbothioamide","","- C17 H21 N3 O S -","- C17 H21 N3 O S -","- C136 H168 N24 O8 S8 -","8","1","BX4004","de Oliveira, Gabriela Porto; Bresolin, Leandro; Nogueira, Vanessa Senna; Zambiazi, Priscila Jussiane; de Oliveira, Adriano Bof","4-Phenyl-1-[(1<i>R</i>,4<i>R</i>)-1,7,7-trimethyl-2-oxobicyclo[2.2.1]heptan-3-ylidene]hydrazinecarbothioamide","IUCrData","2016","1","11","x161730","","10.1107/S2414314616017302","","","0.71073","MoKα","","0.0842","0.0505","","","0.0959","0.1079","","","","","","1.084","","","","has coordinates,has Fobs","187748","2020-10-21","18:00:00",""
"1544438","8.2589","0.0009","8.3715","0.0009","18.097","0.002","87.327","0.006","82.242","0.006","63.248","0.007","1106.9","0.2","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","(4<i>Z</i>)-1-Dodecyl-4-(2-oxopropylidene)-2,3,4,5-tetrahydro-1<i>H</i>-1,5-benzodiazepin-2-one","","- C24 H36 N2 O2 -","- C24 H36 N2 O2 -","- C48 H72 N4 O4 -","2","1","BH4017","Sebhaoui, Jihad; El Bakri, Youness; Essassi, El Mokhtar; Mague, Joel T.","(4<i>Z</i>)-1-Dodecyl-4-(2-oxopropylidene)-2,3,4,5-tetrahydro-1<i>H</i>-1,5-benzodiazepin-2-one","IUCrData","2016","1","11","x161696","","10.1107/S2414314616016965","","","1.54178","CuKα","","0.0636","0.0497","","","0.1255","0.1383","","","","","","1.068","","","","has coordinates,has Fobs","187749","2020-10-21","18:00:00",""
"1544439","13.4883","0.0002","8.23273","0.00016","16.8923","0.0003","90","","93.8","0.0017","90","","1871.69","0.06","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Ethyl {[5-acetyl-3-cyano-4-(4-methoxyphenyl)-6-methylpyridin-2-yl]sulfanyl}acetate","","- C20 H20 N2 O4 S -","- C20 H20 N2 O4 S -","- C80 H80 N8 O16 S4 -","4","1","BV4005","Al-Taifi, Elham A.; Kaur, Manpreet; Mohamed, Shaaban K.; Akkurt, Mehmet; Jasinski, Jerry P.","Ethyl {[5-acetyl-3-cyano-4-(4-methoxyphenyl)-6-methylpyridin-2-yl]sulfanyl}acetate","IUCrData","2016","1","11","x161715","","10.1107/S2414314616017156","","","1.54184","CuKα","","0.0422","0.0395","","","0.1091","0.1121","","","","","","1.05","","","","has coordinates,has Fobs","187750","2020-10-21","18:00:00",""
"1544440","14.7421","0.0006","17.5573","0.0006","21.4675","0.0009","90","","90","","90","","5556.5","0.4","296","2","296","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","1-Benzyl-3'-[(1<i>H</i>-indol-3-yl)carbonyl]-1'-methyl-2-oxo-4'-(pyridin-3-yl)spiro[indoline-3,2'-pyrrolidine]-3'-carbonitrile","","- C34 H27 N5 O2 -","- C34 H27 N5 O2 -","- C272 H216 N40 O16 -","8","1","SU4077","Seethalakshmi, P.; Palanivel, C.","1-Benzyl-3'-[(1<i>H</i>-indol-3-yl)carbonyl]-1'-methyl-2-oxo-4'-(pyridin-3-yl)spiro[indoline-3,2'-pyrrolidine]-3'-carbonitrile","IUCrData","2016","1","11","x161686","","10.1107/S2414314616016862","","","0.71073","MoKα","","0.0764","0.0402","","","0.0767","0.0951","","","","","","0.969","","","","has coordinates,has Fobs","187751","2020-10-21","18:00:00",""
"1544441","10.5","0.005","21.888","0.005","23.348","0.005","90","","101.145","0.005","90","","5265","3","298","2","298","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","(<i>E</i>)-4-[4-(Dimethylamino)styryl]-1-methylpyridin-1-ium tetrakis[(<i>Z</i>)-4,4,4-trifluoro-3-oxo-1-(thiophen-2-yl)but-1-en-1-olato]gadolinate(III)","","- C48 H35 F12 Gd N2 O8 S4 -","- C48 H35 F12 Gd N2 O8 S4 -","- C192 H140 F48 Gd4 N8 O32 S16 -","4","1","XU4016","Wu, Da-Jun; Fang, Bin","(<i>E</i>)-4-[4-(Dimethylamino)styryl]-1-methylpyridin-1-ium tetrakis[(<i>Z</i>)-4,4,4-trifluoro-3-oxo-1-(thiophen-2-yl)but-1-en-1-olato]gadolinate(III) with an unknown amount of water as solvate","IUCrData","2016","1","11","x161727","","10.1107/S2414314616017272","","","0.71069","MoKα","","0.0826","0.0638","","","0.1348","0.1431","","","","","","1.09","","","","has coordinates,has disorder,has Fobs","188960","2020-10-21","18:00:00",""
"1544442","20.8964","0.0016","5.9156","0.0003","21.9821","0.0017","90","","120.415","0.01","90","","2343.4","0.4","173","2","173","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","5-(2-Methylfuran-3-yl)-<i>N</i>-phenyl-1,3,4-oxadiazol-2-amine","","- C13 H11 N3 O2 -","- C13 H11 N3 O2 -","- C104 H88 N24 O16 -","8","1","SJ4067","Paswan, Santosh; Bharty, Manoj K.; Gupta, Sushil K.; Butcher, Ray J.; Jasinski, Jerry P.","5-(2-Methylfuran-3-yl)-<i>N</i>-phenyl-1,3,4-oxadiazol-2-amine","IUCrData","2016","1","11","x161724","","10.1107/S2414314616017247","","","0.71073","MoKα","","0.0962","0.0574","","","0.1406","0.1667","","","","","","1.025","","","","has coordinates,has disorder,has Fobs","187753","2020-10-21","18:00:00",""
"1544459","12.4485","0.0002","3.74414","0.00003","19.9523","0.0005","90","","95.244","0.002","90","","926.06","0.03","","","","","","","","","","","","3","C 1 2/m 1","-C 2y","12","H2Ti12O25","","","- H2 O25 Ti12 -","- H2 O25 Ti12 -","- H4 O50 Ti24 -","2","0.25","","Kataoka, K.; Akimoto, J.","Soft chemical synthesis and crystal structure of novel hydrogen titanium oxide H2Ti12O25","Journal of the Ceramic Society of Japan","2016","124","","710","713","","","","","","","","","","","","","","","","","","","","","","has coordinates","187796","2020-10-21","18:00:00",""
"1544460","3.05831","0.00007","3.05831","0.00007","42.9942","0.0012","90","","90","","120","","348.26","0.015","","","","","","","","","","","","4","P 63/m m c","-P 6c 2c","194","Si0.39Al7.61O2.61N6.39 16H SiAlON","","","- Al7.61 N6.39 O2.61 Si0.39 -","- Al7.607 N6.39 O2.61 Si0.393 -","- Al15.214 N12.78 O5.22 Si0.786 -","2","0.0833333","","Nishimine, H.; Suzuki, Y.; Banno, H.; Asaka, T.; Fukuda, K.","Disordered crystal structure of 16H-SiAlON, Si3-xAl5+xOxN9-x (x~2.6)","Journal of the Ceramic Society of Japan","2016","124","","875","880","","","","","","","","","","","","","","","","","","","","","","has coordinates","187797","2020-10-21","18:00:00",""
"1544461","5.294","0.008","5.294","0.008","11.498","0.0008","90","","90","","90","","322.2","0.7","","","","","","","","","","","","4","I 41/a","-I 4ad","88","LiCeW2O8","","","- Ce Li O8 W2 -","- Ce0.5 Li0.5 O4 W -","- Ce2 Li2 O16 W4 -","4","","","Shimemura, T.; Sawaguchi, N.; Sasaki, M.","Synthesis and emission properties of scheelite-type LiCe(WO4)2","Journal of the Ceramic Society of Japan","2016","124","","938","942","","","","","","","","","","","","","","","","","","","","","","has coordinates","187798","2020-10-21","18:00:00",""
"1544467","8.05812","0.00014","8.05812","0.00014","8.05812","0.00014","90","","90","","90","","523.24","0.016","","","","","","","","","","","","4","F d -3 m","F 4d 2 3 -1d","227","LiCoMnO4","","","- Co Li Mn O4 -","- Co0.563 Li1.922 Mn0.515 O4 -","- Co4.504 Li15.376 Mn4.12 O32 -","8","","","Hamada, Y.; Hamao, N.; Kataoka, K.; Ishida, N.; Idemoto, Y.; Akimoto, J.","Single crystal synthesis, crystal structure and electrochemical property of spinel-type LiCoMnO4 as 5 V positive electrode materials","Journal of the Ceramic Society of Japan","2016","124","","706","710","","","","","","","","","","","","","","","","","","","","","","has coordinates","187812","2020-10-21","18:00:00",""
"1544475","9.2381","0.0005","6.9763","0.0006","16.891","0.0008","90","","90.987","0.003","90","","1088.43","0.12","100","","100.01","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C22 H36 O7 -","- C22 H36 O7 -","- C44 H72 O14 -","2","1","","Zhang, Yan; Adnani, Navid; Braun, Doug R.; Ellis, Gregory A.; Barns, Kenneth J.; Parker-Nance, Shirley; Guzei, Ilia A.; Bugni, Tim S.","Micromonohalimanes A and B: Antibacterial Halimane-Type Diterpenoids from a Marine Micromonospora Species","Journal of Natural Products","2016","","","","","10.1021/acs.jnatprod.6b00555","","x-ray","1.54178","CuKα","","0.0301","0.0297","","","0.0786","0.079","","","","","","1.032","","","","has coordinates,has disorder","187822","2020-10-21","18:00:00",""
"1544476","9.7525","0.0012","12.6566","0.0016","18.224","0.002","90","","90","","90","","2249.5","0.5","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C29 H20 Br N O2 -","- C29 H20 Br N O2 -","- C116 H80 Br4 N4 O8 -","4","1","","Shen, Hong-Qiang; Gao, Xiang; Liu, Cong; Hu, Shu-Bo; Zhou, Yong-Gui","A Hydrogenation/Oxidative Fragmentation Cascade for Synthesis of Chiral 4,5-Dihydro-1H-benzo[d]azepin-1-ones.","Organic letters","2016","18","22","5920","5923","10.1021/acs.orglett.6b03027","","","0.71073","MoKα","","0.0633","0.0416","","","0.0871","0.0958","","","","","","1.012","","","","has coordinates","189951","2020-10-21","18:00:00",""
"1544477","9.2696","0.0005","12.0477","0.0006","15.0296","0.0008","90","","90","","90","","1678.47","0.15","273","2","273.15","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C22 H17 N O2 -","- C22 H17 N O2 -","- C88 H68 N4 O8 -","4","1","","Shen, Hong-Qiang; Gao, Xiang; Liu, Cong; Hu, Shu-Bo; Zhou, Yong-Gui","A Hydrogenation/Oxidative Fragmentation Cascade for Synthesis of Chiral 4,5-Dihydro-1H-benzo[d]azepin-1-ones.","Organic letters","2016","18","22","5920","5923","10.1021/acs.orglett.6b03027","","","1.54178","CuKα","","0.0569","0.0493","","","0.1351","0.1432","","","","","","1.051","","","","has coordinates","189951","2020-10-21","18:00:00",""
"1544478","11.4926","0.0016","17.417","0.002","19.109","0.003","90","","103.684","0.002","90","","3716.4","0.9","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C44 H56 N3 O Rh -","- C44 H56 N3 O Rh -","- C176 H224 N12 O4 Rh4 -","4","1","","Palacios, Laura; Di Giuseppe, Andrea; Artigas, María José; Polo, Victor; Lahoz, Fernando J.; Castarlenas, Ricardo; Pérez-Torrente, Jesús J.; Oro, Luis A.","Mechanistic insight into the pyridine enhanced α-selectivity in alkyne hydrothiolation catalysed by quinolinolate‒rhodium(i)‒N-heterocyclic carbene complexes","Catal. Sci. Technol.","2016","6","24","8548","","10.1039/C6CY01884J","","","0.71073","MoKα","","0.1028","0.0618","","","0.1104","0.1242","","","","","","1.077","","","","has coordinates","190059","2020-10-21","18:00:00",""
"1544479","11.3475","0.0014","17.783","0.002","19.583","0.002","90","","103.994","0.002","90","","3834.4","0.8","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C45 H58 N3 O Rh -","- C45 H58 N3 O Rh -","- C180 H232 N12 O4 Rh4 -","4","1","","Palacios, Laura; Di Giuseppe, Andrea; Artigas, María José; Polo, Victor; Lahoz, Fernando J.; Castarlenas, Ricardo; Pérez-Torrente, Jesús J.; Oro, Luis A.","Mechanistic insight into the pyridine enhanced α-selectivity in alkyne hydrothiolation catalysed by quinolinolate‒rhodium(i)‒N-heterocyclic carbene complexes","Catal. Sci. Technol.","2016","6","24","8548","","10.1039/C6CY01884J","","","0.71073","MoKα","","0.046","0.0323","","","0.0755","0.0822","","","","","","1.029","","","","has coordinates,has disorder","190059","2020-10-21","18:00:00",""
"1544480","11.4003","0.0006","29.8414","0.0015","16.2873","0.0008","90","","105.512","0.001","90","","5339.1","0.5","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C63 H72 N3 O Rh -","- C63 H72 N3 O Rh -","- C252 H288 N12 O4 Rh4 -","4","1","","Palacios, Laura; Di Giuseppe, Andrea; Artigas, María José; Polo, Victor; Lahoz, Fernando J.; Castarlenas, Ricardo; Pérez-Torrente, Jesús J.; Oro, Luis A.","Mechanistic insight into the pyridine enhanced α-selectivity in alkyne hydrothiolation catalysed by quinolinolate‒rhodium(i)‒N-heterocyclic carbene complexes","Catal. Sci. Technol.","2016","6","24","8548","","10.1039/C6CY01884J","","","0.71073","MoKα","","0.0393","0.0327","","","0.0767","0.0807","","","","","","1.053","","","","has coordinates","190059","2020-10-21","18:00:00",""
"1544484","16.2628","0.0003","16.2628","0.0003","35.9975","0.001","90","","90","","90","","9520.6","0.4","293","2","293","2","","","","","","","","4","P 43 21 2","P 4nw 2abw","96","Conofolidine","","","- C45 H54 N4 O11 -","- C45 H54 N4 O11 -","- C360 H432 N32 O88 -","8","1","","Nge, Choy-Eng; Sim, Kae-Shin; Lim, Siew-Huah; Thomas, Noel F.; Low, Yun-Yee; Kam, Toh-Seok","A Hexacyclic, Iboga-Derived Monoterpenoid Indole with a Contracted Tetrahydroazepine C-Ring and Incorporation of an Isoxazolidine Moiety, a Seco-Corynanthean, an Aspidosperma-Aspidosperma Bisindole with Anticancer Properties, and the Absolute Configuration of the Pyridopyrimidine Indole Alkaloid, Vernavosine.","Journal of natural products","2016","79","10","2709","2717","10.1021/acs.jnatprod.6b00674","","","1.54184","CuKα","","0.0934","0.0808","","","0.2285","0.2397","","","","","","1.416","","","","has coordinates","187846","2020-10-21","18:00:00",""
"1544485","9.1262","0.0004","11.2141","0.0005","13.5183","0.0006","90","","99.968","0.003","90","","1362.61","0.11","296","2","296.15","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C25 H38 O10 -","- C25 H38 O10 -","- C50 H76 O20 -","2","1","","Liu, Qing-Xin; Yang, Yong-Xun; Zhang, Jian-Ping; Chen, Li-Ping; Shen, Yun-Heng; Li, Hui-Liang; Zhang, Wei-Dong","Isolation, Structure Elucidation, and Absolute Configuration of Highly Oxygenated Germacranolides from Carpesium cernuum.","Journal of natural products","2016","79","10","2479","2486","10.1021/acs.jnatprod.6b00315","","","1.54178","CuKα","","0.0533","0.0514","","","0.1426","0.1461","","","","","","1.027","","","","has coordinates","187847","2020-10-21","18:00:00",""
"1544486","9.8736","0.0003","18.0856","0.0006","27.7795","0.0009","90","","90","","90","","4960.6","0.3","296","2","296.15","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C24 H34 O9 -","- C24 H34 O9 -","- C192 H272 O72 -","8","2","","Liu, Qing-Xin; Yang, Yong-Xun; Zhang, Jian-Ping; Chen, Li-Ping; Shen, Yun-Heng; Li, Hui-Liang; Zhang, Wei-Dong","Isolation, Structure Elucidation, and Absolute Configuration of Highly Oxygenated Germacranolides from Carpesium cernuum.","Journal of natural products","2016","79","10","2479","2486","10.1021/acs.jnatprod.6b00315","","","1.54178","CuKα","","0.1267","0.0721","","","0.1846","0.219","","","","","","1.009","","","","has coordinates","187848","2020-10-21","18:00:00",""
"1544487","10.3232","0.0002","11.0194","0.0002","19.2565","0.0003","90","","90","","90","","2190.53","0.07","130","","130","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C20 H32 O10 -","- C20 H32 O10 -","- C80 H128 O40 -","4","1","","Liu, Qing-Xin; Yang, Yong-Xun; Zhang, Jian-Ping; Chen, Li-Ping; Shen, Yun-Heng; Li, Hui-Liang; Zhang, Wei-Dong","Isolation, Structure Elucidation, and Absolute Configuration of Highly Oxygenated Germacranolides from Carpesium cernuum.","Journal of natural products","2016","79","10","2479","2486","10.1021/acs.jnatprod.6b00315","","","1.54178","CuKα","","0.0337","0.0329","","","0.0855","0.0861","","","","","","1.085","","","","has coordinates,has disorder","187849","2020-10-21","18:00:00",""
"1544488","18.458","0.0002","18.458","0.0002","28.8647","0.0004","90","","90","","120","","8516.61","0.18","130","","130","","","","","","","","","3","P 32 2 1","P 32 2""","154","","","","- C25 H36 O9 -","- C25 H36 O9 -","- C300 H432 O108 -","12","2","","Liu, Qing-Xin; Yang, Yong-Xun; Zhang, Jian-Ping; Chen, Li-Ping; Shen, Yun-Heng; Li, Hui-Liang; Zhang, Wei-Dong","Isolation, Structure Elucidation, and Absolute Configuration of Highly Oxygenated Germacranolides from Carpesium cernuum.","Journal of natural products","2016","79","10","2479","2486","10.1021/acs.jnatprod.6b00315","","","1.54178","CuKα","","0.0598","0.0512","","","0.1372","0.1445","","","","","","0.999","","","","has coordinates","187850","2020-10-21","18:00:00",""
"1544489","10.2307","0.0001","10.2307","0.0001","20.5352","0.0003","90","","90","","90","","2149.36","0.04","130","","130","","","","","","","","","3","P 41","P 4w","76","","","","- C19 H32 O10 -","- C19 H32 O10 -","- C76 H128 O40 -","4","1","","Liu, Qing-Xin; Yang, Yong-Xun; Zhang, Jian-Ping; Chen, Li-Ping; Shen, Yun-Heng; Li, Hui-Liang; Zhang, Wei-Dong","Isolation, Structure Elucidation, and Absolute Configuration of Highly Oxygenated Germacranolides from Carpesium cernuum.","Journal of natural products","2016","79","10","2479","2486","10.1021/acs.jnatprod.6b00315","","","1.54178","CuKα","","0.0404","0.0393","","","0.1042","0.1054","","","","","","1.049","","","","has coordinates","187851","2020-10-21","18:00:00",""
"1544490","9.1352","0.0006","13.4879","0.001","20.6303","0.0014","90","","90","","90","","2542","0.3","130","","130","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C25 H34 O9 -","- C25 H34 O9 -","- C100 H136 O36 -","4","1","","Liu, Qing-Xin; Yang, Yong-Xun; Zhang, Jian-Ping; Chen, Li-Ping; Shen, Yun-Heng; Li, Hui-Liang; Zhang, Wei-Dong","Isolation, Structure Elucidation, and Absolute Configuration of Highly Oxygenated Germacranolides from Carpesium cernuum.","Journal of natural products","2016","79","10","2479","2486","10.1021/acs.jnatprod.6b00315","","","1.54178","CuKα","","0.067","0.0556","","","0.1431","0.1538","","","","","","1.039","","","","has coordinates","187852","2020-10-21","18:00:00",""
"1544491","18.4959","0.0002","18.4959","0.0002","28.8516","0.0005","90","","90","","120","","8547.7","0.2","130","","130","","","","","","","","","3","P 32 2 1","P 32 2""","154","","","","- C25 H36 O9 -","- C25 H36 O9 -","- C300 H432 O108 -","12","2","","Liu, Qing-Xin; Yang, Yong-Xun; Zhang, Jian-Ping; Chen, Li-Ping; Shen, Yun-Heng; Li, Hui-Liang; Zhang, Wei-Dong","Isolation, Structure Elucidation, and Absolute Configuration of Highly Oxygenated Germacranolides from Carpesium cernuum.","Journal of natural products","2016","79","10","2479","2486","10.1021/acs.jnatprod.6b00315","","","1.54178","CuKα","","0.0996","0.0875","","","0.2443","0.2594","","","","","","1.087","","","","has coordinates","187853","2020-10-21","18:00:00",""
"1544492","9.0537","0.0004","9.9085","0.0005","13.6295","0.0007","90","","93.611","0.002","90","","1220.26","0.1","130","","130","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C25 H34 O9 -","- C25 H34 O9 -","- C50 H68 O18 -","2","1","","Liu, Qing-Xin; Yang, Yong-Xun; Zhang, Jian-Ping; Chen, Li-Ping; Shen, Yun-Heng; Li, Hui-Liang; Zhang, Wei-Dong","Isolation, Structure Elucidation, and Absolute Configuration of Highly Oxygenated Germacranolides from Carpesium cernuum.","Journal of natural products","2016","79","10","2479","2486","10.1021/acs.jnatprod.6b00315","","","1.54178","CuKα","","0.0331","0.0329","","","0.0854","0.0857","","","","","","1.058","","","","has coordinates","187854","2020-10-21","18:00:00",""
"1544493","22.8955","0.0003","22.8955","0.0003","9.7127","0.0002","90","","90","","120","","4409.31","0.12","130","2","130","","","","","","","","","3","P 61","P 61","169","","","","- C26 H40 O10 -","- C26 H40 O10 -","- C156 H240 O60 -","6","1","","Liu, Qing-Xin; Yang, Yong-Xun; Zhang, Jian-Ping; Chen, Li-Ping; Shen, Yun-Heng; Li, Hui-Liang; Zhang, Wei-Dong","Isolation, Structure Elucidation, and Absolute Configuration of Highly Oxygenated Germacranolides from Carpesium cernuum.","Journal of natural products","2016","79","10","2479","2486","10.1021/acs.jnatprod.6b00315","","","1.54178","CuKα","","0.0573","0.0524","","","0.1456","0.1509","","","","","","1.051","","","","has coordinates","187855","2020-10-21","18:00:00",""
"1544494","5.7156","0.0001","18.5622","0.0002","23.127","0.0003","90","","90","","90","","2453.64","0.06","296","2","296.15","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C23 H34 O8 -","- C23 H34 O8 -","- C92 H136 O32 -","4","1","","Liu, Qing-Xin; Yang, Yong-Xun; Zhang, Jian-Ping; Chen, Li-Ping; Shen, Yun-Heng; Li, Hui-Liang; Zhang, Wei-Dong","Isolation, Structure Elucidation, and Absolute Configuration of Highly Oxygenated Germacranolides from Carpesium cernuum.","Journal of natural products","2016","79","10","2479","2486","10.1021/acs.jnatprod.6b00315","","","1.54178","CuKα","","0.0438","0.041","","","0.1091","0.1125","","","","","","1.035","","","","has coordinates","187856","2020-10-21","18:00:00",""
"1544508","11.0894","0.0007","11.1837","0.0009","11.8059","0.0009","63.655","0.008","83.383","0.006","68.088","0.007","1215.08","0.19","171.1","","171.1","","","","","","","","","5","P -1","-P 1","2","","","","- C29 H23 Cl N4 O2 -","- C29 H23 Cl N4 O2 -","- C58 H46 Cl2 N8 O4 -","2","1","","Zhou, Xiaorong; Fan, Zili; Zhang, Zhiyin; Lu, Ping; Wang, Yanguang","Construction of Pyrrolo[1,2-a]indoles via Cobalt(III)-Catalyzed Enaminylation of 1-(Pyrimidin-2-yl)-1H-indoles with Ketenimines and Subsequent Base-Promoted Cyclization.","Organic letters","2016","18","18","4706","4709","10.1021/acs.orglett.6b02353","","","0.71073","MoKα","","0.0567","0.0395","","","0.0845","0.0946","","","","","","1.046","","","","has coordinates","187875","2020-10-21","18:00:00",""
"1544518","6.9919","0.0003","11.5174","0.0004","20.7014","0.0007","90","","90","","90","","1667.05","0.11","150","0.1","150","0.1","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C11 H17.91 Cl Cu N7 O6 -","- C11 H17.91 Cl Cu N7 O6 -","- C44 H71.64 Cl4 Cu4 N28 O24 -","4","1","","Queyriaux, Nicolas; Andreiadis, Eugen; Torelli, Stephane; Pecaut, Jacques; Veldkamp, Brad S.; Margulies, Eric A.; Wasielewski, Michael R.; Chavarot-Kerlidou, Murielle; Artero, Vincent","CuAAC-based assembly and characterization of a ruthenium-copper dyad containing a diimine dioxime ligand framework","Faraday Discuss.","2016","","","","","10.1039/C6FD00204H","","x-ray","0.71073","MoKα","","0.0752","0.0571","","","0.1136","0.1208","","","","","","1.073","","","","has coordinates,has disorder","188031","2020-10-21","18:00:00",""
"1544521","11.118","0.002","19.642","0.003","12.625","0.002","90","","110.85","0.02","90","","2576.5","0.8","223","0.1","223","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C26 H32 N2 O4 Si -","- C26 H32 N2 O4 Si -","- C104 H128 N8 O16 Si4 -","4","1","","Deng, Yongming; Pei, Chao; Arman, Hadi; Dong, Kuiyong; Xu, Xinfang; Doyle, Michael P.","Syntheses of Tetrahydropyridazine and Tetrahydro-1,2-diazepine Scaffolds through Cycloaddition Reactions of Azoalkenes with Enol Diazoacetates.","Organic letters","2016","18","22","5884","5887","10.1021/acs.orglett.6b02965","","x-ray","0.71073","MoKα","","0.0934","0.0517","","","0.1126","0.1406","","","","","","1.026","","","","has coordinates","189950","2020-10-21","18:00:00",""
"1544522","35.35","0.04","5.606","0.005","21.4","0.02","90","","124.417","0.012","90","","3498","6","98","","98","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C20 H18 N2 O4 -","- C20 H18 N2 O4 -","- C160 H144 N16 O32 -","8","1","","Deng, Yongming; Pei, Chao; Arman, Hadi; Dong, Kuiyong; Xu, Xinfang; Doyle, Michael P.","Syntheses of Tetrahydropyridazine and Tetrahydro-1,2-diazepine Scaffolds through Cycloaddition Reactions of Azoalkenes with Enol Diazoacetates.","Organic letters","2016","18","22","5884","5887","10.1021/acs.orglett.6b02965","","","0.71075","MoKα","","0.071","0.0551","","","0.1129","0.122","","","","","","1.055","","","","has coordinates","189950","2020-10-21","18:00:00",""
"1544523","11.071","0.002","13.272","0.003","18.896","0.004","78.005","0.007","87.787","0.007","84.779","0.007","2704","1","273","2","273","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H32 N4 O4 Si -","- C26 H32 N4 O4 Si -","- C104 H128 N16 O16 Si4 -","4","2","","Deng, Yongming; Pei, Chao; Arman, Hadi; Dong, Kuiyong; Xu, Xinfang; Doyle, Michael P.","Syntheses of Tetrahydropyridazine and Tetrahydro-1,2-diazepine Scaffolds through Cycloaddition Reactions of Azoalkenes with Enol Diazoacetates.","Organic letters","2016","18","22","5884","5887","10.1021/acs.orglett.6b02965","","","0.71073","MoKα","","0.1092","0.0768","","","0.2095","0.2355","","","","","","1.011","","","","has coordinates","189950","2020-10-21","18:00:00",""
"1544524","9.3019","0.0009","20.691","0.002","10.107","0.001","90","","96.604","0.005","90","","1932.3","0.3","190","2","190.15","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","1-(4-bromophenyl)-4,5-diethyl-3-(pyridin-4-yl)-4H-1,2,4-triazol-1-ium tetrafluoroborate","","- C17 H18 B Br F4 N4 -","- C17 H18 B Br F4 N4 -","- C68 H72 B4 Br4 F16 N16 -","4","1","","Joshi, Madhur S.; Pigge, F. Christopher","Construction of 1,2,4-Triazole Derivatives via Cyclocondensation of Alkylidene Dihydropyridines and Aryldiazonium Salts.","Organic letters","2016","18","22","5916","5919","10.1021/acs.orglett.6b03019","","","0.71073","MoKα","","0.0617","0.0417","","","0.1042","0.1146","","","","","","1.025","","","","has coordinates,has disorder","189952","2020-10-21","18:00:00",""
"1544525","8.0644","0.0003","6.941","0.0002","8.6192","0.0003","90","","105.039","0.004","90","","465.94","0.03","123","2","123","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","4-Azaniumyl-5-methoxy-2-methylbenzenesulfonate","","- C8 H11 N O4 S -","- C8 H11 N O4 S -","- C16 H22 N2 O8 S2 -","2","0.5","SU4094","Kennedy, Alan R.; Silva de Moraes, Lygia","4-Ammonio-5-methoxy-2-methylbenzenesulfonate","IUCrData","2016","1","11","x161778","","10.1107/S2414314616017788","","","0.71073","MoKα","","0.0315","0.0289","","","0.0792","0.0813","","","","","","1.098","","","","has coordinates,has Fobs","188338","2020-10-21","18:00:00",""
"1544526","3.9268","0.0006","20.752","0.003","12.3431","0.0019","90","","99.182","0.014","90","","992.9","0.3","150","","150","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C9 H6 Cl N O S2 -","- C9 H6 Cl N O S2 -","- C36 H24 Cl4 N4 O4 S8 -","4","1","","Boukebbous, Khaled; Laifa, El Adoui; De Mallmann, Aimery; Taoufik, Mostafa","5-Anilino-4-chloro-3<i>H</i>-1,2-dithiol-3-one","IUCrData","2016","1","11","x161736","","10.1107/S2414314616017363","","","0.71073","MoKα","","0.0792","0.066","","0.1549","0.1242","0.1549","","","","","","1.012","","","","has coordinates,has Fobs","188339","2020-10-21","18:00:00",""
"1544527","9.6524","0.0006","22.6947","0.0013","29.0945","0.0017","90","","90","","90","","6373.4","0.7","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","Cyclolinopeptide acetonitrile disolvate","Cyclo-(prolyl-prolyl-phenylalanyl-phenylalanyl-leucyl-isoleucyl-isoleucylleucyl-valyl) acetonitrile disolvate","","- C61 H91 N11 O9 -","- C61 H91 N11 O9 -","- C244 H364 N44 O36 -","4","1","","Chitanda, Jackson Mulenga; Zhu, Jianfeng; Mausberg, Philip; Burnett, Peta-Gaye Gillian; Reaney, Martin J. T.","[1‒9-NαC]-Linusorb B3 (cyclolinopeptide A) acetonitrile disolvate","IUCrData","2016","1","11","x161706","","10.1107/S2414314616017065","","","1.54178","CuKα","","0.0811","0.0595","","","0.1537","0.1661","","","","","","1.048","","","","has coordinates,has Fobs","188340","2020-10-21","18:00:00",""
"1544528","21.1951","0.0006","4.028","0.0001","11.9433","0.0003","90","","90","","90","","1019.65","0.05","100","2","100","2","","","","","","","","6","P n a 21","P 2c -2n","33","","<i>catena</i>-Poly[[chloridolead(II)]-μ~2~-chlorido-di-μ~2~-thiourea-κ^2^<i>S</i>:<i>S</i>]","","- C2 H8 Cl2 N4 Pb S2 -","- C2 H8 Cl2 N4 Pb S2 -","- C8 H32 Cl8 N16 Pb4 S8 -","4","1","WM4030","Zouihri, Hafid; Yamni, Khalid; Messouss, Youssef; Tijani, Najib; Messaoudi, Lahcen","Redetermination of <i>catena</i>-poly[[chloridolead(II)]-μ~2~-chlorido-di-μ~2~-thiourea-κ^4^<i>S</i>:<i>S</i>] at 100K","IUCrData","2016","1","11","x161745","","10.1107/S2414314616017454","","","0.71073","MoKα","","0.0204","0.0181","","","0.0406","0.0412","","","","","","1.041","","","","has coordinates,has Fobs","188341","2020-10-21","18:00:00",""
"1544529","15.071","0.003","4.4304","0.0011","27.422","0.009","90","","106.59","0.03","90","","1754.8","0.8","150","","150","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C18 H18 O4 S3 -","- C18 H18 O4 S3 -","- C72 H72 O16 S12 -","4","0.5","","Boukebbous, Khaled; Laifa, El Adoui; De Mallmann, Aimery; Taoufik, Mostafa","Diethyl 2,2'-(trisulfane-1,3-diyl)dibenzoate","IUCrData","2016","1","11","x161708","","10.1107/S2414314616017089","","","0.71073","MoKα","","0.1043","0.0792","","0.1664","0.1556","0.1664","","","","","","0.9946","","","","has coordinates,has Fobs","188342","2020-10-21","18:00:00",""
"1544530","23.9226","0.0019","7.1372","0.0006","13.0562","0.0011","90","","99.158","0.005","90","","2200.8","0.3","273","2","273","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","Methyl 5-(4-hydroxyphenyl)-6-oxo-1,6-dihydropyrazine-2-carboxylate","","- C12 H10 N2 O4 -","- C12 H10 N2 O4 -","- C96 H80 N16 O32 -","8","1","IS4012","Eltayeb, Naser Eltaher","Methyl 5-(4-hydroxyphenyl)-6-oxo-1,6-dihydropyrazine-2-carboxylate","IUCrData","2016","1","11","x161689","","10.1107/S2414314616016898","","","0.71073","MoKα","","0.0682","0.0451","","","0.1041","0.1148","","","","","","1.072","","","","has coordinates,has Fobs","188343","2020-10-21","18:00:00",""
"1544531","13.978","0.002","13.208","0.0019","22.137","0.003","90","","90","","90","","4087","1","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","Diaqua[<i>N</i>,<i>N</i>'-bis(3-methoxy-2-oxidobenzylidene)ethylenediamine-κ^4^<i>O</i>,<i>N</i>,<i>N</i>',<i>O</i>']manganese(III) perchlorate","","- C18 H22 Cl Mn N2 O10 -","- C18 H22 Cl Mn N2 O10 -","- C144 H176 Cl8 Mn8 N16 O80 -","8","1","WM4031","Noor, Shabana; Seidel, Rüdiger W.; Goddard, Richard; Kumar, Sarvendra; Sabir, Suhail","Redetermination of diaqua[<i>N</i>,<i>N</i>'-bis(3-methoxy-2-oxidobenzylidene)ethylenediamine-κ^4^<i>O</i>,<i>N</i>,<i>N</i>',<i>O</i>']manganese(III) perchlorate at 100K","IUCrData","2016","1","11","x161735","","10.1107/S2414314616017351","","","0.71073","MoKα","","0.0508","0.0338","","","0.0805","0.0884","","","","","","1.057","","","","has coordinates,has Fobs","188344","2020-10-21","18:00:00",""
"1544532","14.7907","0.0005","4.80351","0.00015","17.1203","0.0008","90","","92.067","0.004","90","","1215.56","0.08","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","6-Amino-3-methyl-1-phenyl-1<i>H</i>-pyrazolo[3,4-<i>b</i>]pyrazine-5-carboxamide","","- C13 H12 N6 O -","- C13 H12 N6 O -","- C52 H48 N24 O4 -","4","1","TK4024","Kaur, Manpreet; Mohamed, Shaaban K.; Akkurt, Mehmet; Jasinski, Jerry P.; El-Emary, Talaat I.; Albayati, Mustafa R.","6-Amino-3-methyl-1-phenyl-1<i>H</i>-pyrazolo[3,4-<i>b</i>]pyrazine-5-carboxamide","IUCrData","2016","1","11","x161742","","10.1107/S2414314616017429","","","1.54184","CuKα","","0.0476","0.0414","","","0.1057","0.1123","","","","","","1.06","","","","has coordinates,has Fobs","188345","2020-10-21","18:00:00",""
"1544537","7.33","0.02","22.65","0.05","28.2","0.11","90","","101.877","0.013","90","","4582","2","200","2","200","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","Gross77 (Matan)","","","- C49 H10 Au F15 I4 N4 -","- C49 H10 Au F15 I4 N4 -","- C196 H40 Au4 F60 I16 N16 -","4","1","","Soll, Matan; Sudhakar, Kolanu; Fridman, Natalia; Müller, Alexander; Röder, Beate; Gross, Zeev","One-Pot Conversion of Fluorophores to Phosphorophores.","Organic letters","2016","18","22","5840","5843","10.1021/acs.orglett.6b02877","","","0.71073","MoKα","","0.1166","0.0752","","","0.1895","0.2132","","","","","","1.047","","","","has coordinates","189949","2020-10-21","18:00:00",""
"1544538","21.092","0.002","21.092","0.002","45.876","0.003","90","","90","","90","","20409","3","200","2","200","2","","","","","","","","6","I 41/a :2","-I 4ad","88","Gross82 (Sudhakar)","","","- C37.66667 H8.66667 Au Cl2 F15 N4 -","- C37.6667 H8.66667 Au Cl2 F15 N4 -","- C904 H208 Au24 Cl48 F360 N96 -","24","1.5","","Soll, Matan; Sudhakar, Kolanu; Fridman, Natalia; Müller, Alexander; Röder, Beate; Gross, Zeev","One-Pot Conversion of Fluorophores to Phosphorophores.","Organic letters","2016","18","22","5840","5843","10.1021/acs.orglett.6b02877","","","0.71073","MoKα","","0.0367","0.0296","","","0.0781","0.0811","","","","","","1.065","","","","has coordinates","215051","2020-10-21","18:00:00",""
"1544539","20.019","0.0004","13.865","0.0003","15.727","0.0006","90","","111.499","0.0011","90","","4061.5","0.2","200","2","200","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","Gross84 (Sudhakar)","","","- C38 H6 Cl2 Cu F15 I4 N4 -","- C38 H6 Cl2 Cu F15 I4 N4 -","- C152 H24 Cl8 Cu4 F60 I16 N16 -","4","1","","Soll, Matan; Sudhakar, Kolanu; Fridman, Natalia; Müller, Alexander; Röder, Beate; Gross, Zeev","One-Pot Conversion of Fluorophores to Phosphorophores.","Organic letters","2016","18","22","5840","5843","10.1021/acs.orglett.6b02877","","","0.71073","MoKα","","0.0485","0.0405","","","0.1017","0.1055","","","","","","1.085","","","","has coordinates","189949","2020-10-21","18:00:00",""
"1544540","10.923","0.001","14.1551","0.0012","14.1908","0.0012","108.623","0.003","93.277","0.003","90.412","0.003","2075.1","0.3","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- C41 H54 O9 -","- C41 H54 O9 -","- C82 H108 O18 -","2","1","","Tian, Dong Song; Yi, Ping; Xia, Lei; Xiao, Xin; Fan, Yi Min; Gu, Wei; Huang, Lie Jun; Ben-David, Yaacov; Di, Ying Tong; Yuan, Chun Mao; Hao, Xiao Jiang","Garmultins A‒G, Biogenetically Related Polycyclic Acylphloroglucinols from Garcinia multiflora","Organic Letters","2016","","","","","10.1021/acs.orglett.6b03004","","","0.71073","MoKα","","0.0744","0.0631","","","0.1951","0.2087","","","","","","1.035","","","","has coordinates","188379","2020-10-21","18:00:00",""
"1544541","9.455","0.0005","11.9077","0.0006","12.212","0.0007","62.429","0.005","79.276","0.004","77.627","0.004","1184.46","0.12","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","3-(9<i>H</i>-Carbazol-9-yl)propanoic acid","","- C15 H13 N O2 -","- C15 H13 N O2 -","- C60 H52 N4 O8 -","4","2","HB4092","Kaur, Manpreet; Mohamed, Shaaban K.; Akkurt, Mehmet; Jasinski, Jerry P.; El-Emary, Talaat I.; Albayati, Mustafa R.","3-(9<i>H</i>-Carbazol-9-yl)propanoic acid","IUCrData","2016","1","11","x161787","","10.1107/S2414314616017879","","","1.54184","CuKα","","0.0591","0.0445","","","0.1158","0.1251","","","","","","1.026","","","","has coordinates,has Fobs","188383","2020-10-21","18:00:00",""
"1544542","10.804","0.0002","13.6433","0.0003","13.2159","0.0003","90","","97.8812","0.0007","90","","1929.65","0.07","173","","173","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","[2-(2,2'-Bipyridin-6-yl-κ^2^<i>N</i>^1^,<i>N</i>^1'^)benzo[<i>b</i>][1,5]naphthyridine-κ<i>N</i>^1^]dichloridozinc","","- C22 H14 Cl2 N4 Zn -","- C22 H14 Cl2 N4 Zn -","- C88 H56 Cl8 N16 Zn4 -","4","1","BT4032","Tezuka, Yosuke; Tsuge, Kiyoshi; Ohtsu, Hideki","[2-(2,2'-Bipyridin-6-yl-κ^2^<i>N</i>^1^,<i>N</i>^1'^)benzo[<i>b</i>][1,5]naphthyridine-κ<i>N</i>^1^]dichloridozinc","IUCrData","2016","1","11","x161779","","10.1107/S241431461601779X","","","0.71075","MoKα","","0.0415","0.0381","","","0.0955","0.0972","","","","","","1.119","","","","has coordinates,has Fobs","188384","2020-10-21","18:00:00",""
"1544543","14.8773","0.0002","12.2499","0.0002","19.3288","0.0003","90","","90","","90","","3522.59","0.09","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","Ferrocenecarboxylic anhydride","","- C22 H18 Fe2 O3 -","- C22 H18 Fe2 O3 -","- C176 H144 Fe16 O24 -","8","1","HB4093","McAdam, C. John; Simpson, Jim","Ferrocenecarboxylic anhydride: a redetermination","IUCrData","2016","1","11","x161769","","10.1107/S2414314616017697","","","1.54184","CuKα","","0.0313","0.0295","","","0.0879","0.0904","","","","","","0.843","","","","has coordinates,has Fobs","188385","2020-10-21","18:00:00",""
"1544544","6.366","0.0011","15.282","0.003","21.575","0.004","88.968","0.002","87.985","0.002","79.217","0.002","2060.5","0.7","173","2","173.15","","","","","","","","","5","P -1","-P 1","2","","<i>catena</i>-Poly[[bis{2-[3-(carboxymethyl)adamantan-1-yl]acetato-κ^2^<i>O</i>,<i>O</i>'}cadmium(II)]-μ-<i>N</i>,<i>N</i>'-bis(pyridine-4-carboxamido)piperazine-κ^2^<i>N</i>:<i>N</i>']","","- C44 H54 Cd N4 O10 -","- C44 H54 Cd N4 O10 -","- C88 H108 Cd2 N8 O20 -","2","1","LH4013","Travis, Jamelah Z.; LaDuca, Robert L.","<i>catena</i>-Poly[[bis{2-[3-(carboxymethyl)adamantan-1-yl]acetato-κ^2^<i>O</i>,<i>O</i>'}cadmium(II)]-μ-<i>N</i>,<i>N</i>'-bis(pyridine-4-carboxamido)piperazine-κ^2^<i>N</i>:<i>N</i>']","IUCrData","2016","1","11","x161764","","10.1107/S2414314616017648","","","0.71073","MoKα","","0.0527","0.0429","","","0.1077","0.115","","","","","","1.061","","","","has coordinates,has disorder,has Fobs","188386","2020-10-21","18:00:00",""
"1544545","7.9543","0.0007","13.3271","0.0011","8.8107","0.0007","90","","92.761","0.003","90","","932.92","0.13","200","2","200","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","1-(3,4-Dimethoxyphenyl)ethanone","","- C10 H12 O3 -","- C10 H12 O3 -","- C40 H48 O12 -","4","1","VM4018","Mills-Robles, Heather A.; Desikan, Vasumathi; Golen, James A.; Manke, David R.","1-(3,4-Dimethoxyphenyl)ethanone","IUCrData","2016","1","11","x161794","","10.1107/S2414314616017946","","","0.71073","MoKα","","0.0514","0.0355","","","0.0863","0.0955","","","","","","1.039","","","","has coordinates,has Fobs","188387","2020-10-21","18:00:00",""
"1544546","7.5691","0.0005","7.7907","0.0005","14.904","0.001","101.911","0.005","91.311","0.005","107.224","0.005","818.06","0.1","193","2","193","2","","","","","","","","5","P -1","-P 1","2","","2-(4-Chloro-2-nitrophenyl)-5-[4-(propyloxy)phenyl]-1,3,4-oxadiazole","","- C17 H14 Cl N3 O4 -","- C17 H14 Cl N3 O4 -","- C34 H28 Cl2 N6 O8 -","2","1","SU4093","Limbach, Daniel; Detert, Heiner; Schollmeyer, Dieter","2-(4-Chloro-2-nitrophenyl)-5-[4-(propyloxy)phenyl]-1,3,4-oxadiazole","IUCrData","2016","1","11","x161782","","10.1107/S241431461601782X","","","0.71073","MoKα","","0.0464","0.0358","","","0.091","0.0978","","","","","","1.038","","","","has coordinates,has Fobs","188388","2020-10-21","18:00:00",""
"1544579","11.518","0.005","25.095","0.005","23.137","0.005","90","","98.217","0.005","90","","6619","3","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","(4'-Phenyl-2,2':6',2''-terpyridine-κ^3^<i>N</i>,<i>N</i>',<i>N</i>'')bis(thiocyanato-κ<i>N</i>)zinc(II) unknown solvate","","- C23 H15 N5 S2 Zn -","- C23 H15 N5 S2 Zn -","- C276 H180 N60 S24 Zn12 -","12","3","","Wang, An-ran; Wang, Cong; Li, Sheng-Li","(4'-Phenyl-2,2':6',2''-terpyridine-κ^3^<i>N</i>,<i>N</i>',<i>N</i>'')bis(thiocyanato-κ<i>N</i>)zinc(II) unknown solvate","IUCrData","2016","1","11","x161758","","10.1107/S2414314616017582","","","0.71069","MoKα","","0.1614","0.0797","","","0.1821","0.2133","","","","","","0.98","","","","has coordinates,has Fobs","188499","2020-10-21","18:00:00",""
"1544580","8.1948","0.0009","9.563","0.0011","9.7528","0.0011","68.106","0.001","73.141","0.001","85.379","0.001","678.37","0.13","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","9-Butyl-3-nitro-9<i>H</i>-carbazole","","- C16 H16 N2 O2 -","- C16 H16 N2 O2 -","- C32 H32 N4 O4 -","2","1","","Ping, Zhang; Ting, Zhang; Song, Chang-Chun","9-Butyl-3-nitro-9<i>H</i>-carbazole","IUCrData","2016","1","11","x161776","","10.1107/S2414314616017764","","","0.71073","MoKα","","0.0445","0.0392","","","0.1081","0.1125","","","","","","1.086","","","","has coordinates,has Fobs","188500","2020-10-21","18:00:00",""
"1544581","3.7072","0.0003","11.4251","0.0009","14.3713","0.0013","70.748","0.004","88.425","0.005","83.284","0.005","570.68","0.08","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","Methyl 5-(4-hydroxyphenyl)-6-oxo-1,6-dihydropyrazine-2-carboxylate monohydrate","","- C12 H12 N2 O5 -","- C12 H12 N2 O5 -","- C24 H24 N4 O10 -","2","1","HB4089","Eltayeb, Naser Eltaher","Methyl 5-(4-hydroxyphenyl)-6-oxo-1,6-dihydropyrazine-2-carboxylate monohydrate","IUCrData","2016","1","11","x161741","","10.1107/S2414314616017417","","","0.71073","MoKα","","0.074","0.0486","","","0.1075","0.1192","","","","","","1.016","","","","has coordinates,has Fobs","188501","2020-10-21","18:00:00",""
"1544582","21.598","0.0006","7.0666","0.0002","13.3909","0.0004","90","","105.031","0.002","90","","1973.85","0.1","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","4-Amino-5-tetradecylamino-4<i>H</i>-1,2,4-triazol-1-ium chloride","","- C16 H34 Cl N5 -","- C16 H34 Cl N5 -","- C64 H136 Cl4 N20 -","4","1","HB4094","El Bakri, Youness; Harmaoui, Abdallah; Sebhaoui, Jihad; Ramli, Youssef; Essassi, El Mokhtar; Mague, Joel T.","4-Amino-5-tetradecylamino-4<i>H</i>-1,2,4-triazol-1-ium chloride","IUCrData","2016","1","11","x161819","","10.1107/S2414314616018198","","","1.54178","CuKα","","0.0596","0.0443","","","0.1108","0.1211","","","","","","1.069","","","","has coordinates,has Fobs","188502","2020-10-21","18:00:00",""
"1544583","9.948","0.008","9.955","0.007","12.043","0.009","66.38","0.03","82.99","0.04","61.08","0.02","952.6","1.3","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","Poly[(μ~3~-5-hydroxyisophthalato)[μ~2~-1,1'-(1,4-phenylene)bis(1<i>H</i>-imidazole)]copper]","","- C20 H14 Cu N4 O5 -","- C20 H14 Cu N4 O5 -","- C40 H28 Cu2 N8 O10 -","2","1","","Tao, Hong-Hong; Chen, Yu-Han; Liu, Ya-Sai; Deji, Zhuo-Ga","Poly[(μ~3~-5-hydroxyisophthalato)[μ~2~-1,1'-(1,4-phenylene)bis(1<i>H</i>-imidazole)]copper]","IUCrData","2016","1","11","x161802","","10.1107/S2414314616018022","","","0.71073","MoKα","","0.0832","0.0547","","","0.116","0.1301","","","","","","1.039","","","","has coordinates,has Fobs","188503","2020-10-21","18:00:00",""
"1544584","3.9166","0.0003","16.6608","0.0011","18.8096","0.0014","90","","93.232","0.007","90","","1225.44","0.15","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","5-(2-Ethoxy-4-fluorophenyl)-1,2,4-triazolo[1,5-<i>a</i>]pyrimidine","","- C13 H11 F N4 O -","- C13 H11 F N4 O -","- C52 H44 F4 N16 O4 -","4","1","VM4017","Gilandoust, Maryam; Harsha, K. B.; Madan Kumar, S.; Rakesh, K. S.; Lokanath, N. K.; Byrappa, K.; Rangappa, K. S.","5-(2-Ethoxy-4-fluorophenyl)-1,2,4-triazolo[1,5-<i>a</i>]pyrimidine","IUCrData","2016","1","11","x161770","","10.1107/S2414314616017703","","","0.71073","MoKα","","0.0878","0.0611","","","0.1527","0.1817","","","","","","1.082","","","","has coordinates,has Fobs","188504","2020-10-21","18:00:00",""
"1544585","7.683","0.005","17.309","0.006","11.172","0.005","90","","109.26","0.005","90","","1402.6","1.2","295","2","295","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","4-Methylpyridinium 2-carboxy-6-nitrobenzoate","","- C14 H12 N2 O6 -","- C14 H12 N2 O6 -","- C56 H48 N8 O24 -","4","1","HB4095","Devi, S. Reena; Kalaiyarasi, S.; Akilan, R.; Kumar, R. Mohan; Chakkaravarthi, G.","4-Methylpyridinium 2-carboxy-6-nitrobenzoate","IUCrData","2016","1","11","x161803","","10.1107/S2414314616018034","","","0.71073","MoKα","","0.1051","0.0543","","","0.1276","0.1527","","","","","","1.044","","","","has coordinates,has Fobs","188505","2020-10-21","18:00:00",""
"1544586","12.957","0.002","5.3621","0.001","14.44","0.003","90","","109.548","0.002","90","","945.4","0.3","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","9<i>H</i>-Carbazole-9-carbaldehyde","","- C13 H9 N O -","- C13 H9 N O -","- C52 H36 N4 O4 -","4","2","","Wang, Cong; Wang, An-Ran; Li, Sheng-Li","9<i>H</i>-Carbazole-9-carbaldehyde","IUCrData","2016","1","11","x161757","","10.1107/S2414314616017570","","","0.71073","MoKα","","0.0299","0.0288","","","0.0746","0.0756","","","","","","1.069","","","","has coordinates,has Fobs","188506","2020-10-21","18:00:00",""
"1544587","9.7056","0.0006","7.7663","0.0005","20.262","0.0009","90","","93.49","0.002","90","","1524.45","0.15","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","<i>N</i>-[3-Methyl-1-phenyl-1-(1<i>H</i>-tetrazol-1-yl)butan-2-yl]acetamide","","- C14 H19 N5 O -","- C14 H19 N5 O -","- C56 H76 N20 O4 -","4","1","RZ4006","Geetha, Selvaraj; Yuva Priya, Muniraj Krishnaveni; Chandralekha, Kuppan; Thennarasu, Sathiah; Lakshmi, Srinivasakannan","<i>N</i>-[3-Methyl-1-phenyl-1-(1<i>H</i>-tetrazol-1-yl)butan-2-yl]acetamide","IUCrData","2016","1","11","x161810","","10.1107/S2414314616018101","","","0.71073","MoKα","","0.07","0.0471","","","0.118","0.1344","","","","","","1.024","","","","has coordinates,has Fobs","188507","2020-10-21","18:00:00",""
"1544588","8.453","0.0014","18.142","0.003","10.3805","0.0015","90","","97.637","0.004","90","","1577.8","0.4","90","","90","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C35 H48 N2 O Zn -","- C35 H48 N2 O Zn -","- C70 H96 N4 O2 Zn2 -","2","1","","Ebrahimi, Tannaz; Aluthge, Dinesh C.; Hatzikiriakos, Savvas G.; Mehrkhodavandi, Parisa","Highly Active Chiral Zinc Catalysts for Immortal Polymerization of β-Butyrolactone Form Melt Processable Syndio-Rich Poly(hydroxybutyrate)","Macromolecules","2016","","","","","10.1021/acs.macromol.6b01908","","x-ray","0.71073","MoKα","","0.0649","0.0444","","","0.073","0.0804","","","","","","0.963","","","","has coordinates","188519","2020-10-21","18:00:00",""
"1544589","12.0439","0.0015","12.0523","0.0015","13.1052","0.0016","91.335","0.003","107.129","0.003","109.096","0.003","1702.7","0.4","90","","90","","","","","","","","","5","P -1","-P 1","2","","","","- C80 H100 N4 O4 Zn2 -","- C80 H100 N4 O4 Zn2 -","- C80 H100 N4 O4 Zn2 -","1","0.5","","Ebrahimi, Tannaz; Aluthge, Dinesh C.; Hatzikiriakos, Savvas G.; Mehrkhodavandi, Parisa","Highly Active Chiral Zinc Catalysts for Immortal Polymerization of β-Butyrolactone Form Melt Processable Syndio-Rich Poly(hydroxybutyrate)","Macromolecules","2016","","","","","10.1021/acs.macromol.6b01908","","","0.71073","MoKα","","0.0465","0.0334","","","0.0727","0.0777","","","","","","1.021","","","","has coordinates","188519","2020-10-21","18:00:00",""
"1544590","10.894","0.002","33.799","0.007","21.937","0.005","90","","101.82","0.004","90","","7906","3","296","2","296.15","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C89 H98 N4 O4 Si2 Zn2 -","- C89 H100 N4 O4 Si2 Zn2 -","- C356 H400 N16 O16 Si8 Zn8 -","4","2","","Ebrahimi, Tannaz; Aluthge, Dinesh C.; Hatzikiriakos, Savvas G.; Mehrkhodavandi, Parisa","Highly Active Chiral Zinc Catalysts for Immortal Polymerization of β-Butyrolactone Form Melt Processable Syndio-Rich Poly(hydroxybutyrate)","Macromolecules","2016","","","","","10.1021/acs.macromol.6b01908","","","0.71073","MoKα","","0.0574","0.0433","","","0.0893","0.0933","","","","","","0.996","","","","has coordinates","188519","2020-10-21","18:00:00",""
"1544591","11.1804","0.0011","13.0247","0.0013","19.4626","0.0019","90","","95.724","0.002","90","","2820","0.5","90","","90","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C29 H45 N3 O2 Zn -","- C29 H43.044 N3 O2 Zn -","- C116 H172.176 N12 O8 Zn4 -","4","1","","Ebrahimi, Tannaz; Aluthge, Dinesh C.; Hatzikiriakos, Savvas G.; Mehrkhodavandi, Parisa","Highly Active Chiral Zinc Catalysts for Immortal Polymerization of β-Butyrolactone Form Melt Processable Syndio-Rich Poly(hydroxybutyrate)","Macromolecules","2016","","","","","10.1021/acs.macromol.6b01908","","x-ray","0.71073","MoKα","","0.0689","0.056","","","0.1291","0.1369","","","","","","1.134","","","","has coordinates,has disorder","188519","2020-10-21","18:00:00",""
"1544626","21.8833","0.0008","5.7007","0.0002","16.8054","0.0006","90","","100.234","0.001","90","","2063.12","0.13","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(2<i>Z</i>)-2-Benzylidene-4-[(1-benzyl-1<i>H</i>-1,2,3-triazol-4-yl)methyl]-3,4-dihydro-2<i>H</i>-1,4-benzothiazin-3-one","","- C25 H20 N4 O S -","- C25 H20 N4 O S -","- C100 H80 N16 O4 S4 -","4","1","TK4023","Sebbar, Nada Kheira; Ellouz, Mohamed; Boulhaoua, Mohammed; Ouzidan, Younes; Essassi, El Mokhtar; Mague, Joel T.","(2<i>Z</i>)-2-Benzylidene-4-[(1-benzyl-1<i>H</i>-1,2,3-triazol-4-yl)methyl]-3,4-dihydro-2<i>H</i>-1,4-benzothiazin-3-one","IUCrData","2016","1","11","x161823","","10.1107/S241431461601823X","","","1.54178","CuKα","","0.0679","0.0603","","","0.1491","0.154","","","","","","1.102","","","","has coordinates,has disorder,has Fobs","188580","2020-10-21","18:00:00",""
"1544627","8.678","0.002","7.9332","0.0014","8.734","0.0018","90","","98.62","0.02","90","","594.5","0.2","150","","150","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","4,5-Dichloro-3<i>H</i>-1,2-dithiol-3-one","","- C3 Cl2 O S2 -","- C3 Cl2 O S2 -","- C12 Cl8 O4 S8 -","4","1","","Boukebbous, Khaled; Laifa, El Adoui; De Mallmann, Aimery; Taoufik, Mostafa","4,5-Dichloro-3<i>H</i>-1,2-dithiol-3-one","IUCrData","2016","1","11","x161820","","10.1107/S2414314616018204","","","0.71073","MoKα","","0.0359","0.032","","0.0938","0.0858","0.0938","","","","","","0.992","","","","has coordinates,has Fobs","188581","2020-10-21","18:00:00",""
"1544628","4.0062","0.0009","10.739","0.002","17.178","0.003","90","","95.237","0.018","90","","736","0.3","150","","150","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C7 H4 S3 -","- C7 H4 S3 -","- C28 H16 S12 -","4","1","","Boukebbous, Khaled; Laifa, El Adoui; De Mallmann, Aimery; Taoufik, Mostafa","A second polymorph of 3<i>H</i>-1,2-benzodithiole-3-thione","IUCrData","2016","1","11","x161799","","10.1107/S2414314616017995","","","0.71073","MoKα","","0.0616","0.046","","0.1012","0.0834","0.1012","","","","","","1.0147","","","","has coordinates,has Fobs","188582","2020-10-21","18:00:00",""
"1544636","8.3428","0.0011","8.566","0.001","6.0769","0.0008","90","","90","","90","","434.28","0.1","","","","","","","","","","","","4","P n n m","-P 2 2n","58","Zn2AsO4(OH)","","Adamite","- As H O5 Zn2 -","- As H O5 Zn2 -","- As4 H4 O20 Zn8 -","4","0.5","","Jinnouchi, S.; Yoshiasa, A.; Sugiyama, K.; Shimura, R.; Arima, H.; Momma, K.; Miyawaki, R.","Crystal structure refinements of legrandite, adamite, and paradamite: The complex structure and characteristic hydrogen bonding network of legrandite","Journal of Mineralogical and Petrological Sciences","2016","111","","35","43","","","","","","","","","","","","","","","","","","","","","","has coordinates","287740","2023-11-22","19:37:36",""
"1544637","5.8438","0.0005","6.7226","0.0006","5.6566","0.0004","104.348","0.003","92.32","0.003","76.683","0.003","209.47","0.03","","","","","","","","","","","","4","P -1","-P 1","2","Zn2AsO4(OH)","","paradamite","- As H O5 Zn2 -","- As H O5 Zn2 -","- As2 H2 O10 Zn4 -","2","1","","Jinnouchi, S.; Yoshiasa, A.; Sugiyama, K.; Shimura, R.; Arima, H.; Momma, K.; Miyawaki, R.","Crystal structure refinements of legrandite, adamite, and paradamite: The complex structure and characteristic hydrogen bonding network of legrandite","Journal of Mineralogical and Petrological Sciences","2016","111","","35","43","","","","","","","","","","","","","","","","","","","","","","has coordinates","188589","2020-10-21","18:00:00",""
"1544638","12.8014","0.0011","7.939","0.0003","10.2262","0.0005","90","","104.49","0.002","90","","1006.23","0.11","","","","","","","","","","","Ojuela Mine, Mapimi, Durango, Mexico","4","P 1 21/c 1","-P 2ybc","14","Zn2AsO4(OH)*H2O","","legrandite","- As H3 O6 Zn2 -","- As H3 O6 Zn2 -","- As8 H24 O48 Zn16 -","8","2","","Jinnouchi, S.; Yoshiasa, A.; Sugiyama, K.; Shimura, R.; Arima, H.; Momma, K.; Miyawaki, R.","Crystal structure refinements of legrandite, adamite, and paradamite: The complex structure and characteristic hydrogen bonding network of legrandite","Journal of Mineralogical and Petrological Sciences","2016","111","","35","43","","","","","","","","","","","","","","","","","","","","","","has coordinates","282068","2023-03-26","10:12:03",""
"1544650","9.362","0.0003","17.7187","0.0007","22.1796","0.0009","90","","90","","90","","3679.2","0.2","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(2-Hydroxybenzoato-κ<i>O</i>)triphenyl(triphenylphosphine oxide-κ<i>O</i>)tin(IV)","","- C43 H35 O4 P Sn -","- C43 H35 O4 P Sn -","- C172 H140 O16 P4 Sn4 -","4","1","WM4029","Seye, Dame; Diop, Cheikh Abdoul Khadir; Diop, Libasse; Renald, David","(2-Hydroxybenzoato-κ<i>O</i>)triphenyl(triphenylphosphine oxide-κ<i>O</i>)tin(IV)","IUCrData","2016","1","11","x161840","","10.1107/S241431461601840X","","","0.71073","MoKα","","0.0648","0.0369","","","0.0566","0.0627","","","","","","1.048","","","","has coordinates,has Fobs","188631","2020-10-21","18:00:00",""
"1544651","8.9169","0.0002","17.636","0.0005","11.7937","0.0003","90","","109.199","0.001","90","","1751.51","0.08","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(3<i>S</i>,4<i>S</i>)-1-Benzyl-3-hydroxy-4-phenyl-2,3,4,5-tetrahydro-1<i>H</i>-1,5-benzodiazepin-2-one","","- C22 H20 N2 O2 -","- C22 H20 N2 O2 -","- C88 H80 N8 O8 -","4","1","BH4019","Rida, Mohammed; El Bakri, Youness; Doumbia, Mohamadou Lamine; Essassi, El Mokhtar; Mague, Joel T.","1-Benzyl-3-hydroxy-4-phenyl-2,3,4,5-tetrahydro-1<i>H</i>-1,5-benzodiazepin-2-one","IUCrData","2016","1","11","x161849","","10.1107/S2414314616018496","","","1.54178","CuKα","","0.0353","0.033","","","0.0892","0.092","","","","","","1.044","","","","has coordinates,has Fobs","188632","2020-10-21","18:00:00",""
"1544652","29.1709","0.0014","11.2898","0.0005","20.0517","0.001","90","","131.163","0.001","90","","4971.5","0.4","300","2","300","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","Aquabis(2,2'-bipyridine-κ^2^<i>N</i>,<i>N</i>')chloridonickel(II) chloride chloroform monosolvate hemihydrate","","- C21 H20 Cl5 N4 Ni O1.5 -","- C21 H19 Cl5 N4 Ni O1.5 -","- C168 H152 Cl40 N32 Ni8 O12 -","8","1","WM5333","Vasileiadou, Eugenia; Angaridis, Panagiotis A.; Raptis, Raphael G.; Mathivathanan, Logesh","Aquabis(2,2'-bipyridine-κ^2^<i>N</i>,<i>N</i>')chloridonickel(II) chloride chloroform monosolvate hemihydrate","IUCrData","2016","1","11","x161834","","10.1107/S2414314616018344","","","0.71073","MoKα","","0.0786","0.0522","","","0.1274","0.1395","","","","","","1.05","","","","has coordinates,has Fobs","188633","2020-10-21","18:00:00",""
"1544653","5.8948","0.0001","17.7215","0.0004","22.0042","0.0005","90","","90","","90","","2298.66","0.08","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","3-[2-(9<i>H</i>-Carbazol-9-yl)ethyl]-4-phenyl-1<i>H</i>-1,2,4-triazole-5(4<i>H</i>)-thione dimethyl sulfoxide monosolvate","","- C24 H24 N4 O S2 -","- C24 H24 N4 O S2 -","- C96 H96 N16 O4 S8 -","4","1","SJ4068","Mohamed, Shaaban K.; Mague, Joel T.; Akkurt, Mehmet; El-Emary, Talaat I.; R.Albayati, Mustafa","3-[2-(9<i>H</i>-Carbazol-9-yl)ethyl]-4-phenyl-1<i>H</i>-1,2,4-triazole-5(4<i>H</i>)-thione dimethyl sulfoxide monosolvate","IUCrData","2016","1","11","x161835","","10.1107/S2414314616018356","","","1.54178","CuKα","","0.0751","0.0441","","","0.0974","0.1156","","","","","","1.03","","","","has coordinates,has Fobs","188634","2020-10-21","18:00:00",""
"1544654","11.6675","0.0006","33.682","0.002","13.3653","0.0007","90","","94.184","0.004","90","","5238.4","0.5","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","1,5-Dichloro-1,1,2,2,3,3,4,4,5,5-decaphenylpentasilane","","- C60 H50 Cl2 Si5 -","- C60 H50 Cl2 Si5 -","- C240 H200 Cl8 Si20 -","4","1","ZS4003","Neumeyer, Felix; Kotil, Leyla; Auner, Norbert; Bolte, Michael","1,5-Dichloro-1,1,2,2,3,3,4,4,5,5-decaphenylpentasilane","IUCrData","2016","1","11","x161812","","10.1107/S2414314616018125","","","0.71073","MoKα","","0.0779","0.0703","","","0.1841","0.189","","","","","","1.098","","","","has coordinates,has Fobs","188635","2020-10-21","18:00:00",""
"1544662","14.762","0.0004","7.3509","0.0002","17.9987","0.0005","90","","106.936","0.001","90","","1868.41","0.09","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","4-Amino-3-[2-(9<i>H</i>-carbazol-9-yl)ethyl]-1<i>H</i>-1,2,4-triazole-5(4<i>H</i>)-thione dimethyl sulfoxide monosolvate","","- C18 H21 N5 O S2 -","- C18 H21 N5 O S2 -","- C72 H84 N20 O4 S8 -","4","1","WM4033","Mague, Joel T.; Mohamed, Shaaban K.; Akkurt, Mehmet; El-Emary, Talaat I.; Albayati, Mustafa R.","4-Amino-3-[2-(9<i>H</i>-carbazol-9-yl)ethyl]-1<i>H</i>-1,2,4-triazole-5(4<i>H</i>)-thione dimethyl sulfoxide monosolvate","IUCrData","2016","1","11","x161855","","10.1107/S2414314616018551","","","1.54178","CuKα","","0.0476","0.0455","","","0.1236","0.1253","","","","","","1.04","","","","has coordinates,has disorder,has Fobs","188678","2020-10-21","18:00:00",""
"1544663","13.4306","0.0013","7.3467","0.0007","21.643","0.002","90","","103.299","0.001","90","","2078.3","0.3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","1-[({5-[(4-Methylphenoxy)methyl]-4-phenyl-4<i>H</i>-1,2,4-triazol-3-yl}sulfanyl)methyl]-1<i>H</i>-benzo[<i>d</i>][1,2,3]triazole","","- C23 H20 N6 O S -","- C23 H20 N6 O S -","- C92 H80 N24 O4 S4 -","4","1","XU4019","Mohamed, Shaaban K.; Al-Taifi, Elham A.; Akkurt, Mehmet; Mague, Joel T.; Bakhit, Etiafy M.","1-[({5-[(4-Methylphenoxy)methyl]-4-phenyl-4<i>H</i>-1,2,4-triazol-3-yl}sulfanyl)methyl]-1<i>H</i>-benzo[<i>d</i>][1,2,3]triazole","IUCrData","2016","1","11","x161867","","10.1107/S2414314616018678","","","0.71073","MoKα","","0.0526","0.0414","","","0.1113","0.1171","","","","","","1.089","","","","has coordinates,has Fobs","188679","2020-10-21","18:00:00",""
"1544686","15.751","0.001","22.3712","0.0009","19.2423","0.0011","90","","109.938","0.006","90","","6374","0.6","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C70 H53 Cl4 Co2 N5 O7 -","- C70 H53 Cl4 Co2 N5 O7 -","- C280 H212 Cl16 Co8 N20 O28 -","4","1","","Gong, Chunhua; Zhang, Junyong; Zeng, Xianghua; Xie, Jingli","Highly effective synthesis of a cobalt(ii) metal-organic coordination polymer by using continuous flow chemistry.","Dalton transactions (Cambridge, England : 2003)","2016","46","1","25","28","10.1039/c6dt04000d","","","1.54184","CuKα","","0.1809","0.0976","","","0.2661","0.3284","","","","","","1.022","","","","has coordinates","191689","2020-10-21","18:00:00",""
"1544688","18.1759","0.0005","9.1998","0.0003","18.1799","0.0005","90","","106.594","0.001","90","","2913.34","0.15","170","2","170","2","","","","","","","","3","P 1 21 1","P 2yb","4","β-pallidopenillin A","","","- C15 H24 O4 -","- C15 H24 O4 -","- C120 H192 O32 -","8","4","","Sobolevskaya, Maria P.; Leshchenko, Elena V.; Hoai, Trinh P. T.; Denisenko, Vladimir A.; Dyshlovoy, Sergey A.; Kirichuk, Natalya N.; Khudyakova, Yuliya V.; Kim, Natalya Yu.; Berdyshev, Dmitrii V.; Pislyagin, Evgeny A.; Kuzmich, Aleksandra S.; Gerasimenko, Andrey V.; Popov, Roman S.; von Amsberg, Gunhild; Antonov, Alexandr S.; Afiyatullov, Shamil Sh.","Pallidopenillines: Polyketides from the Alga-Derived Fungus Penicillium thomii Maire KMM 4675","Journal of Natural Products","2016","","","","","10.1021/acs.jnatprod.6b00624","","","0.71073","MoKα","","0.0404","0.0357","","","0.0882","0.0926","","","","","","1.051","","","","has coordinates","188744","2020-10-21","18:00:00",""
"1544689","9.2372","0.0001","10.9057","0.0001","14.6437","0.0002","90","","90","","90","","1475.18","0.03","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","α-pallidopenillin A","","","- C15 H24 O4 -","- C15 H24 O4 -","- C60 H96 O16 -","4","1","","Sobolevskaya, Maria P.; Leshchenko, Elena V.; Hoai, Trinh P. T.; Denisenko, Vladimir A.; Dyshlovoy, Sergey A.; Kirichuk, Natalya N.; Khudyakova, Yuliya V.; Kim, Natalya Yu.; Berdyshev, Dmitrii V.; Pislyagin, Evgeny A.; Kuzmich, Aleksandra S.; Gerasimenko, Andrey V.; Popov, Roman S.; von Amsberg, Gunhild; Antonov, Alexandr S.; Afiyatullov, Shamil Sh.","Pallidopenillines: Polyketides from the Alga-Derived Fungus Penicillium thomii Maire KMM 4675","Journal of Natural Products","2016","","","","","10.1021/acs.jnatprod.6b00624","","","0.71073","MoKα","","0.0387","0.0361","","","0.1056","0.1082","","","","","","1.046","","","","has coordinates","188745","2020-10-21","18:00:00",""
"1544690","9.3676","0.0008","9.5884","0.0007","10.1228","0.0007","64.642","0.007","88.742","0.006","84.266","0.007","817.3","0.12","99.9","0.5","99.9","0.5","","","","","","","","4","P -1","-P 1","2","","","","- C22 H17 N O -","- C22 H17 N O -","- C44 H34 N2 O2 -","2","1","","Qiu, Zijie; Han, Ting; Kwok, Ryan T. K.; Lam, Jacky W. Y.; Tang, Ben Zhong","Polyarylcyanation of Diyne: A One-Pot Three-Component Convenient Route for In Situ Generation of Polymers with AIE Characteristics","Macromolecules","2016","","","","","10.1021/acs.macromol.6b02098","","x-ray","1.54184","CuKα","","0.0347","0.0329","","","0.084","0.0857","","","","","","1.001","","","","has coordinates","188746","2020-10-21","18:00:00",""
"1544691","19.6758","0.0008","12.9382","0.0005","21.1306","0.0009","90","","117.513","0.001","90","","4770.8","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","10-Ethyl-3,7-bis[(4-methylphenyl)carbonyl]phenothiazine","(10-Ethyl-10<i>H</i>-phenothiazine-3,7-diyl)bis(<i>p</i>-tolylmethanone)","","- C30 H25 N O2 S -","- C30 H25 N O2 S -","- C240 H200 N8 O16 S8 -","8","2","SU4092","Hemanathan, Karunakaran; Ravivarma, Mahalingam; Satheeshkumar, Chinnadurai; Rajakumar, Perumal; Sakthi Murugesan, K.","(10-Ethyl-10<i>H</i>-phenothiazine-3,7-diyl)bis(<i>p</i>-tolylmethanone)","IUCrData","2016","1","11","x161838","","10.1107/S2414314616018381","","","0.71073","MoKα","","0.0728","0.0458","","","0.1177","0.1409","","","","","","1.033","","","","has coordinates,has Fobs","188753","2020-10-21","18:00:00",""
"1544692","11.0177","0.0015","7.8508","0.0011","29.691","0.004","90","","90","","90","","2568.2","0.6","296","2","296","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","4-(Benzo[<i>d</i>]thiazol-2-yl)-<i>N</i>,<i>N</i>-dimethylaniline","","- C15 H14 N2 S -","- C15 H14 N2 S -","- C120 H112 N16 S8 -","8","1","SJ4063","Tang, Yi-Wen; Wang, Jing-Hang; Xie, Qing-Yuan; Wang, Quan; Wu, Jie-Ying","4-(Benzo[<i>d</i>]thiazol-2-yl)-<i>N</i>,<i>N</i>-dimethylaniline","IUCrData","2016","1","11","x161847","","10.1107/S2414314616018472","","","0.71073","MoKα","","0.0632","0.0426","","","0.131","0.1535","","","","","","1.046","","","","has coordinates,has Fobs","188754","2020-10-21","18:00:00",""
"1544693","5.519","0.002","21.594","0.008","9.917","0.004","90","","90.405","0.005","90","","1181.9","0.8","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","3-Hydroxy-4-phenyl-2,3,4,5-tetrahydro-1<i>H</i>-1,5-benzodiazepin-2-one","","- C15 H14 N2 O2 -","- C15 H14 N2 O2 -","- C60 H56 N8 O8 -","4","1","SU4096","Rida, Mohammed; El Bakri, Youness; Doumbia, Mohamadou Lamine; Benchidmi, Mohammed; Essassi, El Mokhtar; Mague, Joel T.","3-Hydroxy-4-phenyl-2,3,4,5-tetrahydro-1<i>H</i>-1,5-benzodiazepin-2-one: <i>cis</i> isomer","IUCrData","2016","1","11","x161879","","10.1107/S2414314616018794","","","0.71073","MoKα","","0.1158","0.0838","","","0.1967","0.2114","","","","","","1.095","","","","has coordinates,has Fobs","188755","2020-10-21","18:00:00",""
"1544694","11.5227","0.0001","25.5293","0.0003","12.4749","0.0001","90","","90.038","0.001","90","","3669.7","0.06","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Ethyl 8-amino-7-(furan-2-yl)-5,6-dihydrothieno[2,3-<i>b</i>]benzo[<i>h</i>]quinoline-9-carboxylate","","- C22 H18 N2 O3 S -","- C22 H18 N2 O3 S -","- C176 H144 N16 O24 S8 -","8","2","ZP4010","Bakhite, Etify A.; Kaur, Manpreet; Akkurt, Mehmet; Mohamed, Shaaban K.; Jasinski, Jerry P.; Albayati, Mustafa R.","Ethyl 8-amino-7-(furan-2-yl)-5,6-dihydrothieno[2,3-<i>b</i>]benzo[<i>h</i>]quinoline-9-carboxylate","IUCrData","2016","1","11","x161884","","10.1107/S2414314616018848","","","1.54184","CuKα","","0.0478","0.0424","","","0.1147","0.1206","","","","","","1.015","","","","has coordinates,has disorder,has Fobs","188756","2020-10-21","18:00:00",""
"1544695","4.2159","0.0001","16.773","0.0005","19.4656","0.0005","90","","91.149","0.001","90","","1376.2","0.06","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","7-Bromo-2,3-bis[(prop-2-yn-1-yl)sulfanyl]pyrido[2,3-<i>b</i>]pyrazine","","- C13 H8 Br N3 S2 -","- C13 H8 Br N3 S2 -","- C52 H32 Br4 N12 S8 -","4","1","SJ4070","Sikine, Meriem; Mague, Joel T.; Kandri Rodi, Youssef; Essassi, El Mokhtar; Ouzidan, Younes","7-Bromo-2,3-bis[(prop-2-yn-1-yl)sulfanyl]pyrido[2,3-<i>b</i>]pyrazine","IUCrData","2016","1","11","x161881","","10.1107/S2414314616018812","","","1.54178","CuKα","","0.0354","0.0325","","","0.0839","0.0857","","","","","","1.05","","","","has coordinates,has disorder,has Fobs","188757","2020-10-21","18:00:00",""
"1544696","5.5382","0.0002","28.864","0.0013","6.6112","0.0003","90","","111.935","0.001","90","","980.32","0.07","106","2","106","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","2,3-Dibromo-3-phenylpropanoic acid","","- C9 H8 Br2 O2 -","- C9 H8 Br2 O2 -","- C36 H32 Br8 O8 -","4","1","SU4098","Howard, Trent R.; Mendez-deMello, Kaleh A.; Cardenas, Allan Jay P.","2,3-Dibromo-3-phenylpropanoic acid: a monoclinic polymorph","IUCrData","2016","1","11","x161885","","10.1107/S241431461601885X","","","0.71073","MoKα","","0.0356","0.0329","","","0.0904","0.0925","","","","","","1.07","","","","has coordinates,has disorder,has Fobs","188758","2020-10-21","18:00:00",""
"1544697","17.6487","0.0008","8.8259","0.0003","18.973","0.0008","90","","93.616","0.002","90","","2949.5","0.2","296","2","296","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","Diisopropylammonium (3,6-dichlorobenzene-1,2-dithiolato)cuprato(III) tetrahydrofuran monosolvate","","- C22 H28 Cl4 Cu N O S4 -","- C22 H28 Cl4 Cu N O S4 -","- C88 H112 Cl16 Cu4 N4 O4 S16 -","4","1","SU4095","Barrio, Jesús; Delgado, Esther; Hernández, Diego; Hernández, Elisa; Perles, Josefina; Zamora, Félix","Diisopropylammonium (3,6-dichlorobenzene-1,2-dithiolato)cuprato(III) tetrahydrofuran monosolvate","IUCrData","2016","1","11","x161883","","10.1107/S2414314616018836","","","0.71073","MoKα","","0.0656","0.0368","","","0.0845","0.0959","","","","","","1.009","","","","has coordinates,has Fobs","188759","2020-10-21","18:00:00",""
"1544698","8.7498","0.0017","12.278","0.003","20.161","0.004","90","","100.27","0.03","90","","2131.2","0.8","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C23 H26 N2 O4 S -","- C23 H26 N2 O4 S -","- C92 H104 N8 O16 S4 -","4","1","","Zheng, Jia; Li, Zun; Wu, Wanqing; Jiang, Huanfeng","Controllable O-Nucleometalation Cyclization Strategy: Access to Divergent Ring-Functionalized Molecules.","Organic letters","2016","18","24","6232","6235","10.1021/acs.orglett.6b02710","","","0.71073","MoKα","","0.0417","0.0388","","","0.1184","0.1213","","","","","","1.084","","","","has coordinates","189953","2020-10-21","18:00:00",""
"1544699","8.239","0.0002","9.8871","0.0003","10.5292","0.0003","95.163","0.002","109.34","0.002","104.536","0.002","769.2","0.04","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C15 H18 N2 O4 S -","- C15 H18 N2 O4 S -","- C30 H36 N4 O8 S2 -","2","1","","Zheng, Jia; Li, Zun; Wu, Wanqing; Jiang, Huanfeng","Controllable O-Nucleometalation Cyclization Strategy: Access to Divergent Ring-Functionalized Molecules.","Organic letters","2016","18","24","6232","6235","10.1021/acs.orglett.6b02710","","","1.54178","CuKα","","0.0373","0.0358","","","0.0961","0.0976","","","","","","1.037","","","","has coordinates","189953","2020-10-21","18:00:00",""
"1544700","8.3281","0.0017","10.784","0.002","12.649","0.003","70.74","0.03","73.72","0.03","67.38","0.03","974.5","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C21 H22 N2 O4 S -","- C21 H22 N2 O4 S -","- C42 H44 N4 O8 S2 -","2","1","","Zheng, Jia; Li, Zun; Wu, Wanqing; Jiang, Huanfeng","Controllable O-Nucleometalation Cyclization Strategy: Access to Divergent Ring-Functionalized Molecules.","Organic letters","2016","18","24","6232","6235","10.1021/acs.orglett.6b02710","","","0.71073","MoKα","","0.0731","0.0428","","","0.1331","0.1831","","","","","","1.148","","","","has coordinates","189953","2020-10-21","18:00:00",""
"1544708","10.1258","0.0006","23.8593","0.0011","12.4713","0.0007","90","","95.388","0.002","90","","2999.7","0.3","200","2","200","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C35 H28 Cl Ir N6 -","- C35 H28 Cl Ir N6 -","- C140 H112 Cl4 Ir4 N24 -","4","1","","Manbeck, Gerald; Garg, Komal; Shimoda, Tomoe; Szalda, David S.; Ertem, Mehmed Z.; Muckerman, James T.; Fujita, Etsuko","Hydricity, electrochemistry, and excited-state chemistry of Ir complexes for CO2 reduction","Faraday Discuss.","2016","","","","","10.1039/C6FD00223D","","","0.71073","MoKα","","0.1128","0.0515","","","0.0846","0.0997","","","","","","0.919","","","","has coordinates","188831","2020-10-21","18:00:00",""
"1544709","9.0504","0.0002","9.0612","0.0001","14.3565","0.0002","90","","90","","90","","1177.34","0.03","296","2","296","2","","","","","","","","4","P n a 21","P 2c -2n","33","","3-[2-(2-Amino-1<i>H</i>-benzo[<i>d</i>]imidazol-1-yl)ethyl]-1,3-oxazolidin-2-one","","- C12 H14 N4 O2 -","- C12 H14 N4 O2 -","- C48 H56 N16 O8 -","4","1","","Bouayyadi, Abdellatif; Moussaif, Ahmed; Mesfioui, Abdelhalim; Mzibri, Mohammed; Saadi, Mohamed; El Ammari, Lahcen","3-[2-(2-Amino-1<i>H</i>-benzo[<i>d</i>]imidazol-1-yl)ethyl]-1,3-oxazolidin-2-one","IUCrData","2016","1","12","x161895","","10.1107/S2414314616018952","","","0.71073","MoKα","","0.0388","0.0354","","","0.0965","0.0995","","","","","","1.068","","","","has coordinates,has Fobs","188862","2020-10-21","18:00:00",""
"1544710","4.4865","0.0002","15.7001","0.0005","13.6313","0.0005","90","","91.481","0.002","90","","959.85","0.06","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Poly[di-μ~2~-acetato-κ^4^<i>O</i>:<i>O</i>'-μ~3~-thiourea-κ^3^<i>S</i>:<i>S</i>:<i>S</i>-lead(II)]","","- C5 H10 N2 O4 Pb S -","- C5 H10 N2 O4 Pb S -","- C20 H40 N8 O16 Pb4 S4 -","4","1","SJ4071","Zouihri, Hafid; Ait Mouha, Mbark; Ba Mohamed, Bouchra; Yamni, Khalid; Tijani, Najib","Poly[di-μ~2~-acetato-κ^4^<i>O</i>:<i>O</i>'-μ~3~-thiourea-κ^3^<i>S</i>:<i>S</i>:<i>S</i>-lead(II)]: a redetermination","IUCrData","2016","1","12","x161892","","10.1107/S2414314616018927","","","0.71073","MoKα","","0.0162","0.0153","","","0.0368","0.0371","","","","","","1.075","","","","has coordinates,has Fobs","189976","2020-10-21","18:00:00",""
"1544711","8.9422","0.0003","17.1851","0.0006","20.8463","0.0008","90","","90","","90","","3203.5","0.2","123","2","123","2","","","","","","","synthesis as described","7","P b c m","-P 2c 2b","57","","FePY5Me2Cl_PF6","","- C29 H25 Cl F6 Fe N5 P -","- C29 H25 Cl F6 Fe N5 P -","- C116 H100 Cl4 F24 Fe4 N20 P4 -","4","0.5","","Yoshida, Masaki; Kondo, Mio; Okamura, Masaya; Kanaike, Mari; Haesuwannakij, Setsiri; Sakurai, Hidehiro; Masaoka, Shigeyuki","Fe, Ru, and Os Complexes with the Same Molecular Framework: Comparison of Structures, Properties and Catalytic Activities","Faraday Discuss.","2016","","","","","10.1039/C6FD00227G","","x-ray","0.71073","MoKα","","0.0981","0.0584","","","0.1566","0.1904","","","","","","1.111","","","","has coordinates","188865","2020-10-21","18:00:00",""
"1544712","8.9368","0.0013","17.315","0.003","20.91","0.003","90","","90","","90","","3235.6","0.9","123","2","123","2","","","","","","","synthesis as described","7","P b c m","-P 2c 2b","57","","RuPY5Me2Cl_PF6","","- C29 H25 Cl F6 N5 P Ru -","- C29 H26 Cl F6 N5 P Ru -","- C116 H104 Cl4 F24 N20 P4 Ru4 -","4","0.5","","Yoshida, Masaki; Kondo, Mio; Okamura, Masaya; Kanaike, Mari; Haesuwannakij, Setsiri; Sakurai, Hidehiro; Masaoka, Shigeyuki","Fe, Ru, and Os Complexes with the Same Molecular Framework: Comparison of Structures, Properties and Catalytic Activities","Faraday Discuss.","2016","","","","","10.1039/C6FD00227G","","x-ray","0.71073","MoKα","","0.0353","0.0315","","","0.0712","0.0735","","","","","","1.085","","","","has coordinates","188865","2020-10-21","18:00:00",""
"1544713","8.978","0.002","17.366","0.005","20.947","0.006","90","","90","","90","","3265.9","1.5","123","2","123","2","","","","","","","synthesis as described","7","P b c m","-P 2c 2b","57","","OsPY5Me2Cl_PF6","","- C29 H25 Cl F6 N5 Os P -","- C29 H25 Cl F6 N5 Os P -","- C116 H100 Cl4 F24 N20 Os4 P4 -","4","0.5","","Yoshida, Masaki; Kondo, Mio; Okamura, Masaya; Kanaike, Mari; Haesuwannakij, Setsiri; Sakurai, Hidehiro; Masaoka, Shigeyuki","Fe, Ru, and Os Complexes with the Same Molecular Framework: Comparison of Structures, Properties and Catalytic Activities","Faraday Discuss.","2016","","","","","10.1039/C6FD00227G","","x-ray","0.71073","MoKα","","0.0214","0.019","","","0.0485","0.0493","","","","","","1.075","","","","has coordinates","188865","2020-10-21","18:00:00",""
"1544714","11.6708","0.0003","12.9661","0.0003","13.4037","0.0004","72.888","0.001","65.578","0.001","66.936","0.001","1677.9","0.08","123","2","123","2","","","","","","","synthesis as described","7","P -1","-P 1","2","","FePY5Me2OH2_PF6","","- C29 H33 F12 Fe N5 O4 P2 -","- C29 H33 F12 Fe N5 O4 P2 -","- C58 H66 F24 Fe2 N10 O8 P4 -","2","1","","Yoshida, Masaki; Kondo, Mio; Okamura, Masaya; Kanaike, Mari; Haesuwannakij, Setsiri; Sakurai, Hidehiro; Masaoka, Shigeyuki","Fe, Ru, and Os Complexes with the Same Molecular Framework: Comparison of Structures, Properties and Catalytic Activities","Faraday Discuss.","2016","","","","","10.1039/C6FD00227G","","x-ray","0.71073","MoKα","","0.0381","0.0342","","","0.1053","0.1083","","","","","","1.111","","","","has coordinates,has disorder","188865","2020-10-21","18:00:00",""
"1544715","21.36","0.006","11.5","0.003","13.126","0.004","90","","121.481","0.003","90","","2749.7","1.3","123","2","123","2","","","","","","","synthesis as described","5","C 1 2/c 1","-C 2yc","15","","RuPY5Me2OH2_NO3","","- C29 H27 N7 O7 Ru -","- C29 H27 N7 O7 Ru -","- C116 H108 N28 O28 Ru4 -","4","0.5","","Yoshida, Masaki; Kondo, Mio; Okamura, Masaya; Kanaike, Mari; Haesuwannakij, Setsiri; Sakurai, Hidehiro; Masaoka, Shigeyuki","Fe, Ru, and Os Complexes with the Same Molecular Framework: Comparison of Structures, Properties and Catalytic Activities","Faraday Discuss.","2016","","","","","10.1039/C6FD00227G","","x-ray","0.71073","MoKα","","0.0254","0.0231","","","0.0617","0.0632","","","","","","1.08","","","","has coordinates","188865","2020-10-21","18:00:00",""
"1544722","11.1727","0.0002","25.9159","0.0005","12.5581","0.0008","90","","91.097","0.006","90","","3635.5","0.3","193","2","193","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C37 H48 O12 -","- C37 H48 O12 -","- C148 H192 O48 -","4","2","","Esposito, Mélissa; Nothias, Louis-Félix; Nedev, Hirsto; Gallard, Jean-François; Leyssen, Pieter; Retailleau, Pascal; Costa, Jean; Roussi, Fanny; Iorga, Bogdan I.; Paolini, Julien; Litaudon, Marc","Euphorbia dendroides Latex as a Source of Jatrophane Esters: Isolation, Structural Analysis, Conformational Study, and Anti-CHIKV Activity.","Journal of natural products","2016","79","11","2873","","10.1021/acs.jnatprod.6b00644","","","1.54187","CuKα","","0.0522","0.0399","","","0.0922","0.1101","","","","","","1.106","","","","has coordinates","188878","2020-10-21","18:00:00",""
"1544723","41.529","0.0014","8.6149","0.0003","11.037","0.007","90","","100.788","0.007","90","","3879","2","193","2","193","2","","","","","","","","3","C 1 2 1","C 2y","5","","","","- C39 H46.5 O12.25 -","- C38 H44 O12 -","- C152 H176 O48 -","4","1","","Esposito, Mélissa; Nothias, Louis-Félix; Nedev, Hirsto; Gallard, Jean-François; Leyssen, Pieter; Retailleau, Pascal; Costa, Jean; Roussi, Fanny; Iorga, Bogdan I.; Paolini, Julien; Litaudon, Marc","Euphorbia dendroides Latex as a Source of Jatrophane Esters: Isolation, Structural Analysis, Conformational Study, and Anti-CHIKV Activity.","Journal of natural products","2016","79","11","2873","","10.1021/acs.jnatprod.6b00644","","","1.54187","CuKα","","0.0823","0.0483","","","0.1169","0.1512","","","","","","1.022","","","","has coordinates","188878","2020-10-21","18:00:00",""
"1544724","18.3977","0.0012","16.9305","0.0005","12.7043","0.0004","90","","90","","90","","3957.2","0.3","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C36 H50 O16 -","- C36 H50 O16 -","- C144 H200 O64 -","4","1","","Esposito, Mélissa; Nothias, Louis-Félix; Nedev, Hirsto; Gallard, Jean-François; Leyssen, Pieter; Retailleau, Pascal; Costa, Jean; Roussi, Fanny; Iorga, Bogdan I.; Paolini, Julien; Litaudon, Marc","Euphorbia dendroides Latex as a Source of Jatrophane Esters: Isolation, Structural Analysis, Conformational Study, and Anti-CHIKV Activity.","Journal of natural products","2016","79","11","2873","","10.1021/acs.jnatprod.6b00644","","","1.54187","CuKα","","0.068","0.053","","","0.137","0.1607","","","","","","1.035","","","","has coordinates","188878","2020-10-21","18:00:00",""
"1544737","16.0039","0.0003","5.6678","0.0001","17.5189","0.0003","90","","111.918","0.001","90","","1474.22","0.05","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C32 H42 N2 O2 S2 -","- C32 H42 N2 O2 S2 -","- C64 H84 N4 O4 S4 -","2","0.5","","Yoon, Won Sik; Kim, Dong Won; Park, Jun-Mo; Cho, Illhun; Kwon, Oh Kyu; Whang, Dong Ryeol; Kim, Jin Hong; Park, Jung-Hwa; Park, Soo Young","A Novel Bis-Lactam Acceptor with Outstanding Molar Extinction Coefficient and Structural Planarity for Donor‒Acceptor Type Conjugated Polymer","Macromolecules","2016","49","22","8489","","10.1021/acs.macromol.6b01680","","","0.71073","MoKα","","0.0504","0.0411","","","0.1121","0.1211","","","","","","1.037","","","","has coordinates","188898","2020-10-21","18:00:00",""
"1544750","18.6824","0.001","9.7571","0.0005","27.8985","0.001","90","","93.921","0.002","90","","5073.6","0.4","100","","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C40 H32 Bi2 Cl12 N8 -","- C40 H32 Bi2 Cl12 N8 -","- C160 H128 Bi8 Cl48 N32 -","4","1","","Wagner, Bettina; Dehnhardt, Natalie; Schmid, Martin; Klein, Benedikt P.; Ruppenthal, Lukas; Müller, Philipp; Zugermeier, Malte; Gottfried, J. Michael; Lippert, Sina; Halbich, Marc-Uwe; Rahimi-Iman, Arash; Heine, Johanna","Color Change Effect in an Organic‒Inorganic Hybrid Material Based on a Porphyrin Diacid","The Journal of Physical Chemistry C","2016","","","","","10.1021/acs.jpcc.6b11188","","","0.71073","MoKα","","0.0525","0.0376","","","0.0678","0.0717","","","","","","1.033","","","","has coordinates","188997","2020-10-21","18:00:00",""
"1544762","14.315","","8.311","","8.914","","90","","120.651","","90","","912.35","","","","","","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C5 H11 Mn N O6 -","- C5 H11 Mn N O6 -","- C20 H44 Mn4 N4 O24 -","4","1","","Jain, Prashant; Stroppa, Alessandro; Nabok, Dmitrii; Marino, Antigone; Rubano, Andrea; Paparo, Domenico; Matsubara, Masakazu; Nakotte, Heinz; Fiebig, Manfred; Picozzi, Silvia; Eun Sang Choi; Anthony K Cheetham; Claudia Draxl; Naresh S Dalal; Vivien S Zapf","Switchable electric polarization and ferroelectric domains in a metal-organic-framework","npj Quantum Materials","2016","1","","16012","","10.1038/npjquantmats.2016.12","powder diffraction","","","","","","","","","","","","","4.01","","","","","","","has coordinates","189028","2020-10-21","18:00:00",""
"1544763","15.869","0.003","9.991","0.002","12.328","0.003","90","","117.79","0.03","90","","1729.1","0.8","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","Dimethyl 4,4'-(dimethylsilanediyl)dibenzoate","","- C18 H20 O4 Si -","- C18 H20 O4 Si -","- C72 H80 O16 Si4 -","4","0.5","HB4082","Zhang, Lingling; Xia, Yan; Li, Dongfeng; Hou, Ruibin","Dimethyl 4,4'-(dimethylsilanediyl)dibenzoate","IUCrData","2016","1","12","x161887","","10.1107/S2414314616018873","","","0.71073","MoKα","","0.0502","0.0436","","","0.1255","0.13","","","","","","1.055","","","","has coordinates,has Fobs","189034","2020-10-21","18:00:00",""
"1544764","15.4222","0.0005","27.9355","0.0009","26.9314","0.0009","90","","93.4633","0.0013","90","","11581.6","0.7","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","{2-[Bis(2,4-di-<i>tert</i>-butylphenoxy)phosphanyloxy-κ<i>P</i>]-3,5-di-<i>tert</i>-butylphenyl-κ<i>C</i>^1^}{3,3'-Di-<i>tert</i>-butyl-5,5'-dimethoxy-2,2'-bis[(1,1,2,2-tetraphenylethane-1,2-dioxy)phosphanyloxy-κ<i>P</i>]biphenyl}rhodium(I) toluene-<i>d</i>~8~ 2.7-solvate","","- C134.9 H151.6 O11 P3 Rh -","- C134.9 H151.6 O11 P3 Rh -","- C539.6 H606.4 O44 P12 Rh4 -","4","1","RZ4007","Selent, Detlef; Spannenberg, Anke; Börner, Armin","{2-[Bis(2,4-di-<i>tert</i>-butylphenoxy)phosphanyloxy-κ<i>P</i>]-3,5-di-<i>tert</i>-butylphenyl-κ<i>C</i>^1^}{3,3'-di-<i>tert</i>-butyl-5,5'-dimethoxy-2,2'-bis[(1,1,2,2-tetraphenylethane-1,2-dioxy)phosphanyloxy-κ<i>P</i>]biphenyl}rhodium(I) toluene-<i>d</i>~8~ 2.7-solvate","IUCrData","2016","1","12","x161914","","10.1107/S2414314616019143","","","0.71073","MoKα","","0.0551","0.0428","","","0.1098","0.12","","","","","","1.029","","","","has coordinates,has disorder,has Fobs","189035","2020-10-21","18:00:00",""
"1544765","10.4566","0.0002","5.9821","0.0001","12.204","0.0003","90","","97.46","0.001","90","","756.93","0.03","296","2","296","2","","","","","","","","3","P 1 21 1","P 2yb","4","","Ethyl 2,2-dimethyl-4-oxo-6-phenyl-3,4-dihydro-2<i>H</i>-pyran-5-carboxylate","","- C16 H18 O4 -","- C16 H18 O4 -","- C32 H36 O8 -","2","1","BV4006","Sharmila, N.; Sundar, T. V.; Sakthivel, P.; Venkatesan, P.","Ethyl 2,2-dimethyl-4-oxo-6-phenyl-3,4-dihydro-2<i>H</i>-pyran-5-carboxylate","IUCrData","2016","1","12","x161924","","10.1107/S2414314616019246","","","0.71073","MoKα","","0.0638","0.042","","","0.1075","0.1215","","","","","","1.046","","","","has coordinates,has Fobs","189036","2020-10-21","18:00:00",""
"1544766","8.6944","0.0001","8.6944","0.0001","35.2843","0.0007","90","","90","","90","","2667.23","0.07","100","1","100","1","","","","","","","","5","P 41 21 2","P 4abw 2nw","92","","2-Amino-5-bromopyridinium 2-phenoxyacetate","","- C13 H13 Br N2 O3 -","- C13 H13 Br N2 O3 -","- C104 H104 Br8 N16 O24 -","8","1","IS5465","Dhanabalan, Nallathambi; Thanigaimani, Kaliyaperumal; Khalib, Nuridayanti Che; Santhanaraj, K. Joseph; Razak, Ibrahim Abdul","2-Amino-5-bromopyridinium 2-phenoxyacetate","IUCrData","2016","1","12","x161939","","10.1107/S2414314616019398","","","0.71073","MoKα","","0.0626","0.0423","","","0.0679","0.0779","","","","","","1.165","","","","has coordinates,has Fobs","189037","2020-10-21","18:00:00",""
"1544767","6.1364","0.0005","5.1034","0.0004","25.458","0.003","90","","95.937","0.008","90","","792.98","0.13","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2-(4-Nitrophenyl)acetic acid","","- C8 H7 N O4 -","- C8 H7 N O4 -","- C32 H28 N4 O16 -","4","1","HB4100","Kennedy, Alan R.; Silva de Moraes, Lygia","A monoclinic polymorph of 2-(4-nitrophenyl)acetic acid","IUCrData","2016","1","12","x161932","","10.1107/S2414314616019325","","","0.71073","MoKα","","0.1091","0.0536","","","0.1059","0.1302","","","","","","1.061","","","","has coordinates,has Fobs","189038","2020-10-21","18:00:00",""
"1544768","7.2438","0.0004","13.998","0.0008","20.1035","0.0011","81.913","0.002","86.409","0.002","78.801","0.002","1978.46","0.19","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","3-Methyl-4,5,6,7,8,9-hexahydrocycloocta[d][1,2,3]selenadiazol]-3-ium iodide triiodide (3/2/1)","","- C27 H45 I5 N6 Se3 -","- C27 H45 I5 N6 Se3 -","- C54 H90 I10 N12 Se6 -","2","1","","Schollmeyer, Dieter; Detert, Heiner","3-Methyl-4,5,6,7,8,9-hexahydrocycloocta[<i>d</i>][1,2,3]selenadiazol]-3-ium iodide triiodide (3/2/1)","IUCrData","2016","1","12","x161950","","10.1107/S2414314616019507","","","0.71073","MoKα","","0.0668","0.0569","","","0.144","0.1486","","","","","","1.162","","","","has coordinates,has Fobs","189039","2020-10-21","18:00:00",""
"1544769","7.467","0.0002","8.8307","0.0003","10.5426","0.0003","106.833","0.002","108.557","0.002","99.42","0.002","605.2","0.03","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","Ethyl 4-(furan-2-yl)-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate","","- C12 H14 N2 O4 -","- C12 H14 N2 O4 -","- C24 H28 N4 O8 -","2","1","SU4105","Novina, J. J.; Vasuki, G.; Suresh, M.; Viswanathan, Vijayan; Velmurugan, Devadasan","Ethyl 4-(furan-2-yl)-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate: a triclinic polymorph","IUCrData","2016","1","12","x161937","","10.1107/S2414314616019374","","","0.71073","MoKα","","0.0476","0.0415","","","0.117","0.1228","","","","","","1.078","","","","has coordinates,has Fobs","189040","2020-10-21","18:00:00",""
"1544770","5.0941","0.001","22.946","0.005","15.831","0.003","90","","96.229","0.004","90","","1839.5","0.6","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H11 Cl2 Hg N3 -","- C19 H11 Cl2 Hg N3 -","- C76 H44 Cl8 Hg4 N12 -","4","1","","Zhang, Peng; Yang, Qi; Zhao, Minjian","<i>catena</i>-Poly[[dichloridomercury(II)]-μ-3,5-bis[2-(pyridin-4-yl)ethynyl]pyridine-κ^2^<i>N</i>:<i>N</i>']","IUCrData","2016","1","12","x161951","","10.1107/S2414314616019519","","","0.71073","MoKα","","0.0462","0.0332","","","0.0752","0.079","","","","","","0.971","","","","has coordinates,has Fobs","189041","2020-10-21","18:00:00",""
"1544771","7.8989","0.0003","8.088","0.0003","8.2052","0.0003","90.297","0.002","113.319","0.002","98.488","0.002","474.94","0.03","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","9-Ethyl-6-methyl-7<i>H</i>-1,2,4-triazolo[4,3-<i>b</i>][1,2,4]triazepin-8(9<i>H</i>)-one","","- C8 H11 N5 O -","- C8 H11 N5 O -","- C16 H22 N10 O2 -","2","1","","El Bakri, Youness; Harmaoui, Abdallah; Essassi, El Mokhtar; Saadi, Mohamed; El Ammari, Lahcen","9-Ethyl-6-methyl-7<i>H</i>-1,2,4-triazolo[4,3-<i>b</i>][1,2,4]triazepin-8(9<i>H</i>)-one","IUCrData","2016","1","12","x161897","","10.1107/S2414314616018976","","","0.71073","MoKα","","0.0537","0.045","","","0.1238","0.1325","","","","","","1.036","","","","has coordinates,has disorder,has Fobs","189042","2020-10-21","18:00:00",""
"1544772","12.744","0.0008","11.482","0.0007","12.8707","0.0008","90","","118.234","0.001","90","","1659.25","0.18","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2,3-Dihydrobenz[4,5]imidazo[2,1-<i>b</i>]thiazole","","- C9 H8 N2 S -","- C9 H8 N2 S -","- C72 H64 N16 S8 -","8","2","SU4107","Moussaif, Ahmed; Ramli, Youssef; Sebbar, Nada Kheira; Essassi, El Mokhtar; Mague, Joel T.","2,3-Dihydrobenz[4,5]imidazo[2,1-<i>b</i>]thiazole","IUCrData","2016","1","12","x161948","","10.1107/S2414314616019489","","","0.71073","MoKα","","0.0822","0.0459","","","0.1182","0.1336","","","","","","1.02","","","","has coordinates,has Fobs","189043","2020-10-21","18:00:00",""
"1544773","11.856","0.0006","11.8836","0.0006","6.8348","0.0004","90","","92.044","0.001","90","","962.36","0.09","296","2","296","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","3-Methoxy-4-(prop-2-yn-1-yloxy)benzaldehyde","","- C11 H10 O3 -","- C11 H10 O3 -","- C44 H40 O12 -","4","1","","Ezhilarasu, Tamilarasu; Balasubramanian, Sengottuvelan","3-Methoxy-4-(prop-2-yn-1-yloxy)benzaldehyde","IUCrData","2016","1","12","x161919","","10.1107/S2414314616019192","","","0.71073","MoKα","","0.0476","0.0352","","","0.0831","0.0934","","","","","","1.068","","","","has coordinates,has Fobs","189044","2020-10-21","18:00:00",""
"1544774","6.6849","0.0003","8.9428","0.0005","10.7445","0.0005","103.935","0.003","95.015","0.004","96.86","0.003","614.44","0.05","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","(3<i>Z</i>)-3-Benzylidene-1<i>H</i>-benzimidazo[1,2-<i>a</i>]imidazol-2(3<i>H</i>)-one","","- C16 H11 N3 O -","- C16 H11 N3 O -","- C32 H22 N6 O2 -","2","1","SJ4073","Rida, Mohammed; El Bakri, Youness; Essassi, El Mokhtar; Mague, Joel T.","(3<i>Z</i>)-3-Benzylidene-1<i>H</i>-benzimidazo[1,2-<i>a</i>]imidazol-2(3<i>H</i>)-one","IUCrData","2016","1","12","x161908","","10.1107/S2414314616019088","","","1.54178","CuKα","","0.0617","0.0468","","","0.1108","0.1364","","","","","","1.086","","","","has coordinates,has Fobs","189045","2020-10-21","18:00:00",""
"1544775","24.4344","0.0014","6.2075","0.0005","30.306","0.002","90","","127.163","0.004","90","","3663.2","0.5","170","","170","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C44 H36 N4 Si -","- C44 H36 N4 Si -","- C176 H144 N16 Si4 -","4","1","","Tang, Xiaojuan; Zheng, Chao; Chen, Yizhao; Zhao, Zujin; Qin, Anjun; Hu, Rongrong; Tang, Ben Zhong","Multicomponent Tandem Polymerizations of Aromatic Diynes, Terephthaloyl Chloride, and Hydrazines toward Functional Conjugated Polypyrazoles","Macromolecules","2016","","","","","10.1021/acs.macromol.6b02192","","","0.71073","MoKα","","0.0778","0.055","","","0.1429","0.1572","","","","","","1.053","","","","has coordinates","189078","2020-10-21","18:00:00",""
"1544777","7.1482","0.0015","10.306","0.002","19.705","0.004","90","","99.711","0.003","90","","1430.9","0.5","298","2","298","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Ethyl (2<i>E</i>)-3-dimethylamino-2-(5-methyl-1,2,4-triazolo[1,5-<i>a</i>]pyrimidin-7-yl)prop-2-enoate","","- C13 H17 N5 O2 -","- C13 H17 N5 O2 -","- C52 H68 N20 O8 -","4","1","IS4013","Lahmidi, Sanae; Sebbar, Nada Kheira; Harmaoui, Abdallah; Ouzidan, Younes; Essassi, El Mokhtar; Mague, Joel T.","Ethyl (2<i>E</i>)-3-dimethylamino-2-(5-methyl-1,2,4-triazolo[1,5-<i>a</i>]pyrimidin-7-yl)prop-2-enoate","IUCrData","2016","1","12","x161946","","10.1107/S2414314616019465","","","0.71073","MoKα","","0.0794","0.0464","","","0.1361","0.1452","","","","","","0.868","","","","has coordinates,has Fobs","189106","2020-10-21","18:00:00",""
"1544778","7.2771","0.0005","9.9612","0.0007","11.9257","0.0008","78.778","0.001","75.616","0.001","72.829","0.001","793.16","0.09","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","(5<i>Z</i>)-3-(2-Oxopropyl)-5-(3,4,5-trimethoxybenzylidene)-1,3-thiazolidine-2,4-dione","","- C16 H17 N O6 S -","- C16 H17 N O6 S -","- C32 H34 N2 O12 S2 -","2","1","HG4018","Mague, Joel T.; Mohamed, Shaaban K.; Akkurt, Mehmet; El-Kashef, Hussein; Lebegue, Nicolas; Albayati, Mustafa R.","(5<i>Z</i>)-3-(2-Oxopropyl)-5-(3,4,5-trimethoxybenzylidene)-1,3-thiazolidine-2,4-dione","IUCrData","2016","1","12","x161959","","10.1107/S2414314616019593","","","0.71073","MoKα","","0.0416","0.0371","","","0.1085","0.111","","","","","","1.124","","","","has coordinates,has Fobs","189107","2020-10-21","18:00:00",""
"1544779","3.9511","0.0004","14.3306","0.0011","11.367","0.001","90","","94.574","0.008","90","","641.57","0.1","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","5-Bromo-1,2,4-triazolo[1,5-<i>a</i>]pyrimidine","","- C5 H3 Br N4 -","- C5 H3 Br N4 -","- C20 H12 Br4 N16 -","4","1","SJ4072","Gilandoust, Maryam; Harsha, K. B.; Madan Kumar, S.; Rakesh, K. S.; Lokanath, N. K.; Byrappa, K.; Rangappa, K. S.","5-Bromo-1,2,4-triazolo[1,5-<i>a</i>]pyrimidine","IUCrData","2016","1","12","x161944","","10.1107/S2414314616019441","","","0.71073","MoKα","","0.0494","0.0407","","","0.1047","0.1111","","","","","","1.084","","","","has coordinates,has Fobs","189108","2020-10-21","18:00:00",""
"1544781","7.8585","0.001","13.8457","0.0017","8.4093","0.001","90","","106.247","0.004","90","","878.45","0.19","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C21 H28 O5 -","- C21 H28 O5 -","- C42 H56 O10 -","2","1","","Qiao, Yuben; Xu, Qianqian; Hu, Zhengxi; Li, Xiao-Nian; Xiang, Ming; Liu, Junjun; Huang, Jinfeng; Zhu, Hucheng; Wang, Jianping; Luo, Zengwei; Xue, Yongbo; Zhang, Yonghui","Diterpenoids of the Cassane Type from Caesalpinia decapetala","Journal of Natural Products","2016","","","","","10.1021/acs.jnatprod.6b00910","","","1.54178","CuKα","","0.066","0.0366","","","0.1015","0.1041","","","","","","1.085","","","","has coordinates","189128","2020-10-21","18:00:00",""
"1544789","7.373","0.0006","10.7698","0.0007","17.1056","0.0012","90","","90","","90","","1358.28","0.17","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","4-Benzyl-1,2,4-triazaspiro[4.5]dec-1-ene-3-thione","","- C14 H17 N3 S -","- C14 H17 N3 S -","- C56 H68 N12 S4 -","4","1","SJ4077","Mohamed, Shaaban K.; Akkurt, Mehmet; Jasinski, Jerry P.; Hassan, Alaa A.; Abdel-Aziz, Ahmed T.; Albayati, Mustafa R.","4-Benzyl-1,2,4-triazaspiro[4.5]dec-1-ene-3-thione","IUCrData","2016","1","12","x161968","","10.1107/S2414314616019684","","","1.54184","CuKα","","0.0801","0.0556","","","0.1231","0.1378","","","","","","1.023","","","","has coordinates,has Fobs","189167","2020-10-21","18:00:00",""
"1544790","11.8139","0.0012","7.4803","0.0011","15.5204","0.001","90","","96.766","0.008","90","","1362","0.3","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2,3,5,6-Tetrakis{[(pyridin-2-yl)sulfanyl]methyl}pyrazine","","- C28 H24 N6 S4 -","- C28 H24 N6 S4 -","- C56 H48 N12 S8 -","2","0.5","","Assoumatine, Tokouré; Stoeckli-Evans, Helen","2,3,5,6-Tetrakis{[(pyridin-2-yl)sulfanyl]methyl}pyrazine","IUCrData","2016","1","12","x161977","","10.1107/S2414314616019775","","","0.71073","MoKα","","0.1242","0.0691","","","0.1052","0.1295","","","","","","1.139","","","","has coordinates,has Fobs","189168","2020-10-21","18:00:00",""
"1544791","14.6973","0.0007","5.9179","0.0003","19.8537","0.0009","90","","93.461","0.001","90","","1723.67","0.14","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1-Benzyl-4-phenyl-1<i>H</i>-1,5-benzodiazepin-2(3<i>H</i>)-one","","- C22 H18 N2 O -","- C22 H18 N2 O -","- C88 H72 N8 O4 -","4","1","VM4019","Essaghouani, Abdelhanine; Boulhaoua, Mohammed; Lahmidi, Sanae; El Hafi, Mohamed; Essassi, El Mokhtar; Mague, Joel T.","1-Benzyl-4-phenyl-1<i>H</i>-1,5-benzodiazepin-2(3<i>H</i>)-one","IUCrData","2016","1","12","x161988","","10.1107/S241431461601988X","","","0.71073","MoKα","","0.059","0.0438","","","0.129","0.1389","","","","","","1.069","","","","has coordinates,has Fobs","189169","2020-10-21","18:00:00",""
"1544792","13.6507","0.0008","18.8828","0.0011","14.5033","0.0008","90","","103.279","0.005","90","","3638.5","0.4","248","2","248","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","1,4-Bis{5-[bis(propan-2-yloxy)phosphoryl]thiophen-2-yl}-2,5-dipropoxybenzene","","- C32 H48 O8 P2 S2 -","- C32 H48 O8 P2 S2 -","- C128 H192 O32 P8 S8 -","4","1","BT4033","Detert, Heiner; Schollmeyer, Dieter","1,4-Bis{5-[bis(propan-2-yloxy)phosphoryl]thiophen-2-yl}-2,5-dipropoxybenzene","IUCrData","2016","1","12","x161963","","10.1107/S2414314616019635","","","0.71073","MoKα","","0.2121","0.0914","","","0.2383","0.3037","","","","","","0.949","","","","has coordinates,has disorder,has Fobs","189170","2020-10-21","18:00:00",""
"1544793","19.5024","0.0009","8.7503","0.0004","11.65","0.0006","90","","100.846","0.002","90","","1952.58","0.16","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","t(3)-Benzyl-r(2),c(6)-diphenylpiperidin-4-one oxime","3-Benzyl-2,6-diphenylpiperidin-4-one oxime","","- C24 H24 N2 O -","- C24 H24 N2 O -","- C96 H96 N8 O4 -","4","1","SU4109","Arulraj, R.; Sivakumar, S.; Thiruvalluvar, A.; Manimekalai, A.","<i>t</i>-3-Benzyl-<i>r</i>-2,<i>c</i>-6-diphenylpiperidin-4-one oxime","IUCrData","2016","1","12","x161982","","10.1107/S2414314616019829","","","1.54178","CuKα","","0.0503","0.0439","","","0.1156","0.1237","","","","","","1.039","","","","has coordinates,has Fobs","189171","2020-10-21","18:00:00",""
"1544794","15.204","0.0009","6.7388","0.0003","13.0699","0.0008","90","","107.951","0.007","90","","1273.91","0.13","200","2","200","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","manganese(II) <i>p</i>-arsanilate decahydrate","Hexaaquamanganese(II) bis[hydrogen (4-aminophenyl)arsonate] tetrahydrate","","- C12 H34 As2 Mn N2 O16 -","- C12 H34 As2 Mn N2 O16 -","- C24 H68 As4 Mn2 N4 O32 -","2","0.5","BT4034","Smith, Graham; Wermuth, Urs D.","Hexaaquamanganese(II) bis[hydrogen (4-aminophenyl)arsonate] tetrahydrate","IUCrData","2016","1","12","x161985","","10.1107/S2414314616019854","","","0.71073","MoKα","","0.0351","0.0272","","","0.0635","0.0679","","","","","","1.022","","","","has coordinates,has Fobs","189172","2020-10-21","18:00:00",""
"1544800","26.105","0.005","12.399","0.0018","9.071","0.0014","90","","97.138","0.014","90","","2913.3","0.8","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C12 H14 Cu N O4 -","- C12 H14 Cu N O4 -","- C96 H112 Cu8 N8 O32 -","8","1","","Goel, Nidhi","Study of new Cu(II) metal-organic frameworks: Syntheses, structural, gas sorption and magnetic properties","Inorganica Chimica Acta","2016","450","","330","336","10.1016/j.ica.2016.06.009","","","0.71073","MoKα","","0.0728","0.0448","","","0.1333","0.1605","","","","","","0.643","","","","has coordinates","275231","2022-05-08","23:19:31",""
"1544801","10.168","0.002","11.494","0.003","16.192","0.003","77.675","0.012","72.28","0.011","63.88","0.01","1611.5","0.6","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H32 Cu2 N2 O8 -","- C26 H32 Cu2 N2 O8 -","- C52 H64 Cu4 N4 O16 -","2","1","","Goel, Nidhi","Study of new Cu(II) metal-organic frameworks: Syntheses, structural, gas sorption and magnetic properties","Inorganica Chimica Acta","2016","450","","330","336","10.1016/j.ica.2016.06.009","","","0.71073","MoKα","","0.0885","0.0646","","","0.2007","0.2173","","","","","","0.99","","","","has coordinates","275231","2022-05-08","23:19:32",""
"1544816","21.1444","0.0014","7.697","0.0005","21.2671","0.0014","90","","118.073","0.001","90","","3054","0.3","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Ethyl 2-{6-bromo-2-phenyl-3<i>H</i>-imidazo[4,5-<i>b</i>]pyridin-3-yl}acetate","","- C16 H14 Br N3 O2 -","- C16 H14 Br N3 O2 -","- C128 H112 Br8 N24 O16 -","8","2","SU4112","Hjouji, Mohammed Yassin; Mague, Joel T.; Kandri Rodi, Youssef; Ouzidan, Younes; Essassi, El Mokhtar","Ethyl 2-(6-bromo-2-phenyl-3<i>H</i>-imidazo[4,5-<i>b</i>]pyridin-3-yl)acetate","IUCrData","2016","1","12","x161999","","10.1107/S2414314616019994","","","0.71073","MoKα","","0.043","0.0307","","","0.0755","0.0803","","","","","","1.035","","","","has coordinates,has Fobs","189279","2020-10-21","18:00:00",""
"1544817","6.2796","0.0012","9.6912","0.0018","21.152","0.004","90","","95.294","0.003","90","","1281.8","0.4","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","2-Methyl-3-(3-methylisoxazol-5-yl)-4-oxo-4<i>H</i>-pyrido[1,2-<i>a</i>]pyrimidin-1-ium chloride","","- C13 H12 Cl N3 O2 -","- C13 H12 Cl N3 O2 -","- C52 H48 Cl4 N12 O8 -","4","1","HB4105","Lahmidi, Sanae; El Ouasif, Latifa; Jilalat, Alae Eddine; Al-Garadi, Wedad; Essassi, El Mokhtar; Mague, Joel T.","2-Methyl-3-(3-methylisoxazol-5-yl)-4-oxo-4<i>H</i>-pyrido[1,2-<i>a</i>]pyrimidin-1-ium chloride","IUCrData","2016","1","12","x161978","","10.1107/S2414314616019787","","","0.71073","MoKα","","0.0911","0.0637","","","0.1763","0.1921","","","","","","1.04","","","","has coordinates,has disorder,has Fobs","189280","2020-10-21","18:00:00",""
"1544818","23.3174","0.0007","8.2979","0.0002","7.226","0.0002","90","","90.899","0.001","90","","1397.95","0.07","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(<i>E</i>)-4-Methoxy-3,5-dimethyl-2-[(3-nitrophenyl)ethenyl]pyridine","","- C16 H16 N2 O3 -","- C16 H16 N2 O3 -","- C64 H64 N8 O12 -","4","1","BH4020","El Bakri, Youness; Ramli, Youssef; Harmaoui, Abdallah; Sebhaoui, Jihad; Essassi, El Mokhtar; Mague, Joel T.","(<i>E</i>)-4-Methoxy-3,5-dimethyl-2-[(3-nitrophenyl)ethenyl]pyridine","IUCrData","2016","1","12","x161966","","10.1107/S2414314616019660","","","1.54178","CuKα","","0.0457","0.0391","","","0.0987","0.1036","","","","","","1.051","","","","has coordinates,has Fobs","189281","2020-10-21","18:00:00",""
"1544819","15.9745","0.0006","25.7276","0.001","7.4153","0.0003","90","","90","","90","","3047.6","0.2","293","2","293","2","","","","","","","","6","P c c n","-P 2ab 2ac","56","","(2<i>E</i>)-3-Anilino-1-(2-chlorophenyl)-3-(methylsulfanyl)prop-2-en-1-one","","- C16 H14 Cl N O S -","- C16 H14 Cl N O S -","- C128 H112 Cl8 N8 O8 S8 -","8","1","HB4098","Ravi, A. J.; Vinayaka, A. C.; Kumar, Shamantha; Sadashiva, M. P.; Devarajegowda, H. C.","(2<i>E</i>)-3-Anilino-1-(2-chlorophenyl)-3-(methylsulfanyl)prop-2-en-1-one","IUCrData","2016","1","12","x161994","","10.1107/S2414314616019945","","","1.54178","CuKα","","0.0497","0.0478","","","0.1309","0.1331","","","","","","1.062","","","","has coordinates,has Fobs","189282","2020-10-21","18:00:00",""
"1544820","8.715","0.005","7.301","0.004","12.113","0.006","90","","101.209","0.009","90","","756","0.7","273","2","273","2","","","","","","","","4","P 1 21 1","P 2yb","4","","4-[(4-Hydroxymethyl-2<i>H</i>-1,2,3-triazol-2-yl)methyl]-6-isopropyl-2<i>H</i>-chromen-2-one","","- C16 H17 N3 O3 -","- C16 H17 N3 O3 -","- C32 H34 N6 O6 -","2","1","TK4026","El-Khatatneh, Nasseem; Chandra; Shamala, D.; Shivashankar, K.; Mahendra, M.","4-[(4-Hydroxymethyl-2<i>H</i>-1,2,3-triazol-2-yl)methyl]-6-isopropyl-2<i>H</i>-chromen-2-one","IUCrData","2016","1","12","x161989","","10.1107/S2414314616019891","","","0.71073","MoKα","","0.0655","0.0579","","","0.1645","0.1733","","","","","","1.056","","","","has coordinates,has disorder,has Fobs","189283","2020-10-21","18:00:00",""
"1544821","9.2491","0.0005","18.1423","0.001","14.3719","0.0007","90","","96.61","0.003","90","","2395.6","0.2","296","2","296.15","","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","(<i>Z</i>)-3-(4-Methylbenzylidene)-4-oxopentanoic acid","","- C13 H14 O3 -","- C13 H14 O3 -","- C104 H112 O24 -","8","2","SJ4079","Boukharsa, Youness; Abba Touré, Hamadoun; Taoufik, Jamal; Benzeid, Hanane; Ansar, M'hammed","(<i>Z</i>)-3-(4-Methylbenzylidene)-4-oxopentanoic acid","IUCrData","2016","1","12","x162003","","10.1107/S2414314616020034","","","0.71073","MoKα","","0.078","0.0512","","","0.1525","0.1738","","","","","","1.05","","","","has coordinates,has Fobs","189284","2020-10-21","18:00:00",""
"1544827","19.4439","0.0006","7.6801","0.0001","19.4527","0.0005","90","","118.711","0.004","90","","2547.75","0.15","130","2","130","2","","","","","","","","5","P 1 c 1","P -2yc","7","3-(trimethylammonium)-benzoic acid iodide hydrate","3-(trimethylammonium)-benzoic acid iodide hydrate","","- C10 H16 I N O3 -","- C10 H16 I N O3 -","- C80 H128 I8 N8 O24 -","8","4","","Roszak, Kinga; Katrusiak, Andrzej; Dega-Szafran, Zofia; Komasa, Anna; Kowalczyk, Iwona; Szafran, Mirosław","Conformational flexibility and pseudosymmetric aggregation in a betainium salt hydrate","Structural Chemistry","2016","","","","","10.1007/s11224-016-0889-4","","","0.71073","MoKα","","0.0583","0.0464","","","0.1523","0.1553","","","","","","1.042","","","","has coordinates","189303","2020-10-21","18:00:00",""
"1544828","19.459","0.0009","7.6795","0.0002","19.492","0.0009","90","","118.687","0.006","90","","2555.3","0.2","150","2","150","2","","","","","","","","5","P 1 c 1","P -2yc","7","3-(trimethylammonium)-benzoic acid iodide hydrate","3-(trimethylammonium)-benzoic acid iodide hydrate","","- C10 H16 I N O3 -","- C10 H16 I N O3 -","- C80 H128 I8 N8 O24 -","8","4","","Roszak, Kinga; Katrusiak, Andrzej; Dega-Szafran, Zofia; Komasa, Anna; Kowalczyk, Iwona; Szafran, Mirosław","Conformational flexibility and pseudosymmetric aggregation in a betainium salt hydrate","Structural Chemistry","2016","","","","","10.1007/s11224-016-0889-4","","","0.71073","MoKα","","0.0594","0.0555","","","0.1521","0.1549","","","","","","1.04","","","","has coordinates","189303","2020-10-21","18:00:00",""
"1544829","19.4906","0.0005","7.6827","0.0001","19.5367","0.0004","90","","118.651","0.003","90","","2567.23","0.12","180","2","180","2","","","","","","","","5","P 1 c 1","P -2yc","7","3-(trimethylammonium)-benzoic acid iodide hydrate","3-(trimethylammonium)-benzoic acid iodide hydrate","","- C10 H16 I N O3 -","- C10 H16 I N O3 -","- C80 H128 I8 N8 O24 -","8","4","","Roszak, Kinga; Katrusiak, Andrzej; Dega-Szafran, Zofia; Komasa, Anna; Kowalczyk, Iwona; Szafran, Mirosław","Conformational flexibility and pseudosymmetric aggregation in a betainium salt hydrate","Structural Chemistry","2016","","","","","10.1007/s11224-016-0889-4","","","0.71073","MoKα","","0.0584","0.0461","","","0.1534","0.1574","","","","","","1.01","","","","has coordinates","189303","2020-10-21","18:00:00",""
"1544830","19.513","0.0011","7.6986","0.0004","19.589","0.001","90","","118.61","0.006","90","","2583.4","0.3","210","2","210","2","","","","","","","","5","P 1 c 1","P -2yc","7","3-(trimethylammonium)-benzoic acid iodide hydrate","3-(trimethylammonium)-benzoic acid iodide hydrate","","- C10 H16 I N O3 -","- C10 H16 I N O3 -","- C80 H128 I8 N8 O24 -","8","4","","Roszak, Kinga; Katrusiak, Andrzej; Dega-Szafran, Zofia; Komasa, Anna; Kowalczyk, Iwona; Szafran, Mirosław","Conformational flexibility and pseudosymmetric aggregation in a betainium salt hydrate","Structural Chemistry","2016","","","","","10.1007/s11224-016-0889-4","","","0.71073","MoKα","","0.1071","0.0535","","","0.0802","0.1147","","","","","","1.003","","","","has coordinates","189303","2020-10-21","18:00:00",""
"1544831","19.52","0.0012","7.7018","0.0003","19.601","0.0012","90","","118.593","0.008","90","","2587.4","0.3","220","2","220","2","","","","","","","","5","P 1 c 1","P -2yc","7","3-(trimethylammonium)-benzoic acid iodide hydrate","3-(trimethylammonium)-benzoic acid iodide hydrate","","- C10 H16 I N O3 -","- C10 H16 I N O3 -","- C80 H128 I8 N8 O24 -","8","4","","Roszak, Kinga; Katrusiak, Andrzej; Dega-Szafran, Zofia; Komasa, Anna; Kowalczyk, Iwona; Szafran, Mirosław","Conformational flexibility and pseudosymmetric aggregation in a betainium salt hydrate","Structural Chemistry","2016","","","","","10.1007/s11224-016-0889-4","","","0.71073","MoKα","","0.1035","0.0565","","","0.085","0.1216","","","","","","1.085","","","","has coordinates","189303","2020-10-21","18:00:00",""
"1544832","19.527","0.0013","7.7049","0.0003","19.617","0.0012","90","","118.58","0.008","90","","2591.8","0.3","230","2","230","2","","","","","","","","5","P 1 c 1","P -2yc","7","3-(trimethylammonium)-benzoic acid iodide hydrate","3-(trimethylammonium)-benzoic acid iodide hydrate","","- C10 H16 I N O3 -","- C10 H16 I N O3 -","- C80 H128 I8 N8 O24 -","8","4","","Roszak, Kinga; Katrusiak, Andrzej; Dega-Szafran, Zofia; Komasa, Anna; Kowalczyk, Iwona; Szafran, Mirosław","Conformational flexibility and pseudosymmetric aggregation in a betainium salt hydrate","Structural Chemistry","2016","","","","","10.1007/s11224-016-0889-4","","","0.71073","MoKα","","0.0808","0.0567","","","0.0804","0.1188","","","","","","1.087","","","","has coordinates","189303","2020-10-21","18:00:00",""
"1544833","19.53","0.0014","7.7094","0.0003","19.629","0.0013","90","","118.57","0.009","90","","2595.6","0.4","240","2","240","2","","","","","","","","5","P 1 c 1","P -2yc","7","3-(trimethylammonium)-benzoic acid iodide hydrate","3-(trimethylammonium)-benzoic acid iodide hydrate","","- C10 H16 I N O3 -","- C10 H16 I N O3 -","- C80 H128 I8 N8 O24 -","8","4","","Roszak, Kinga; Katrusiak, Andrzej; Dega-Szafran, Zofia; Komasa, Anna; Kowalczyk, Iwona; Szafran, Mirosław","Conformational flexibility and pseudosymmetric aggregation in a betainium salt hydrate","Structural Chemistry","2016","","","","","10.1007/s11224-016-0889-4","","","0.71073","MoKα","","0.0847","0.057","","","0.0746","0.1104","","","","","","1.082","","","","has coordinates","189303","2020-10-21","18:00:00",""
"1544834","19.533","0.0014","7.7136","0.0003","19.638","0.0014","90","","118.556","0.009","90","","2598.9","0.4","250","2","250","2","","","","","","","","5","P 1 c 1","P -2yc","7","3-(trimethylammonium)-benzoic acid iodide hydrate","3-(trimethylammonium)-benzoic acid iodide hydrate","","- C10 H16 I N O3 -","- C10 H16 I N O3 -","- C80 H128 I8 N8 O24 -","8","4","","Roszak, Kinga; Katrusiak, Andrzej; Dega-Szafran, Zofia; Komasa, Anna; Kowalczyk, Iwona; Szafran, Mirosław","Conformational flexibility and pseudosymmetric aggregation in a betainium salt hydrate","Structural Chemistry","2016","","","","","10.1007/s11224-016-0889-4","","","0.71073","MoKα","","0.1002","0.062","","","0.087","0.1269","","","","","","1.02","","","","has coordinates","189303","2020-10-21","18:00:00",""
"1544835","19.539","0.0013","7.718","0.0003","19.652","0.0013","90","","118.54","0.009","90","","2603.4","0.3","260","2","260","2","","","","","","","","5","P 1 c 1","P -2yc","7","3-(trimethylammonium)-benzoic acid iodide hydrate","3-(trimethylammonium)-benzoic acid iodide hydrate","","- C10 H16 I N O3 -","- C10 H16 I N O3 -","- C80 H128 I8 N8 O24 -","8","4","","Roszak, Kinga; Katrusiak, Andrzej; Dega-Szafran, Zofia; Komasa, Anna; Kowalczyk, Iwona; Szafran, Mirosław","Conformational flexibility and pseudosymmetric aggregation in a betainium salt hydrate","Structural Chemistry","2016","","","","","10.1007/s11224-016-0889-4","","","0.71073","MoKα","","0.0992","0.0577","","","0.081","0.1209","","","","","","1.067","","","","has coordinates","189303","2020-10-21","18:00:00",""
"1544836","19.544","0.0014","7.7236","0.0003","19.666","0.0014","90","","118.528","0.009","90","","2608.1","0.4","270","2","270","2","","","","","","","","5","P 1 c 1","P -2yc","7","3-(trimethylammonium)-benzoic acid iodide hydrate","3-(trimethylammonium)-benzoic acid iodide hydrate","","- C10 H16 I N O3 -","- C10 H16 I N O3 -","- C80 H128 I8 N8 O24 -","8","4","","Roszak, Kinga; Katrusiak, Andrzej; Dega-Szafran, Zofia; Komasa, Anna; Kowalczyk, Iwona; Szafran, Mirosław","Conformational flexibility and pseudosymmetric aggregation in a betainium salt hydrate","Structural Chemistry","2016","","","","","10.1007/s11224-016-0889-4","","","0.71073","MoKα","","0.1092","0.0592","","","0.0856","0.121","","","","","","1.01","","","","has coordinates","189303","2020-10-21","18:00:00",""
"1544837","19.557","0.0014","7.7351","0.0004","19.684","0.0014","90","","118.51","0.009","90","","2616.6","0.4","290","2","290","2","","","","","","","","5","P 1 c 1","P -2yc","7","3-(trimethylammonium)-benzoic acid iodide hydrate","3-(trimethylammonium)-benzoic acid iodide hydrate","","- C10 H16 I N O3 -","- C10 H16 I N O3 -","- C80 H128 I8 N8 O24 -","8","4","","Roszak, Kinga; Katrusiak, Andrzej; Dega-Szafran, Zofia; Komasa, Anna; Kowalczyk, Iwona; Szafran, Mirosław","Conformational flexibility and pseudosymmetric aggregation in a betainium salt hydrate","Structural Chemistry","2016","","","","","10.1007/s11224-016-0889-4","","","0.71073","MoKα","","0.109","0.0581","","","0.0795","0.1127","","","","","","1","","","","has coordinates","189303","2020-10-21","18:00:00",""
"1544838","19.559","0.0017","7.7357","0.0004","19.689","0.0015","90","","118.499","0.016","90","","2618","0.5","296","2","296","2","","","","","","","","5","P 1 c 1","P -2yc","7","3-(trimethylammonium)-benzoic acid iodide hydrate","3-(trimethylammonium)-benzoic acid iodide hydrate","","- C10 H16 I N O3 -","- C10 H16 I N O3 -","- C80 H128 I8 N8 O24 -","8","4","","Roszak, Kinga; Katrusiak, Andrzej; Dega-Szafran, Zofia; Komasa, Anna; Kowalczyk, Iwona; Szafran, Mirosław","Conformational flexibility and pseudosymmetric aggregation in a betainium salt hydrate","Structural Chemistry","2016","","","","","10.1007/s11224-016-0889-4","","","0.71073","MoKα","","0.0998","0.0594","","","0.0902","0.1176","","","","","","1.006","","","","has coordinates","189303","2020-10-21","18:00:00",""
"1544844","12.7365","0.0007","10.5803","0.0009","18.6662","0.0011","90","","106.531","0.003","90","","2411.4","0.3","296","2","296","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","9,9-Diethyl-7-ethynyl-<i>N</i>,<i>N</i>-diphenyl-9<i>H</i>-fluoren-2-amine","","- C31 H27 N -","- C31 H27 N -","- C124 H108 N4 -","4","1","SJ4075","Novina, J. J.; Vasuki, G.; Singh, Prachi; Thomas, K. R. Justin","9,9-Diethyl-7-ethynyl-<i>N</i>,<i>N</i>-diphenyl-9<i>H</i>-fluoren-2-amine","IUCrData","2016","1","12","x162006","","10.1107/S241431461602006X","","","0.71073","MoKα","","0.1211","0.0548","","","0.1446","0.1808","","","","","","0.984","","","","has coordinates,has Fobs","189334","2020-10-21","18:00:00",""
"1544845","6.2439","0.0002","7.9982","0.0003","27.0113","0.001","90","","90","","90","","1348.94","0.08","223","2","223","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","3-Methoxy-2-<i>p</i>-tolyl-4<i>H</i>-chromen-4-one","","- C17 H14 O3 -","- C17 H14 O3 -","- C68 H56 O12 -","4","1","HB4104","Koh, Dongsoo","3-Methoxy-2-<i>p</i>-tolyl-4<i>H</i>-chromen-4-one","IUCrData","2016","1","12","x162019","","10.1107/S2414314616020198","","","0.71073","MoKα","","0.0663","0.0406","","","0.0924","0.1037","","","","","","1.045","","","","has coordinates,has Fobs","189335","2020-10-21","18:00:00",""
"1544861","10.3417","0.0013","13.4837","0.0016","4.7756","0.0005","90","","105.306","0.004","90","","642.31","0.13","","","","","","","","","","","","5","C 1 2/m 1","-C 2y","12","Zn1.62Fe1.38(AsO4)2*8H2O","","kottigite-parasymplesite solid solution","- As2 Fe1.38 H16 O16 Zn1.62 -","- As0.5 Fe0.313 H8 O7 Zn0.312 -","- As2 Fe1.252 H32 O28 Zn1.248 -","4","0.5","","Yoshiasa, A.; Miyano, Y.; Isobe, H.; Sugiyama, K.; Arima, H.; Nakatsuka, A.; Momma, K.; Miyawaki, R.","Structural refinement of kottigite-parasymplesite solid solution: Unique cation site occupancy and chemical bonding with water molecules","Journal of Mineralogical and Petrological Sciences","2016","111","","363","369","","","","","","","","","","","","","","","","","","","","","","has coordinates","189373","2020-10-21","18:00:00",""
"1544862","15.816","0.001","15.816","0.001","7.0944","0.0006","90","","90","","120","","1536.88","0.19","","","","","","","","","","","","7","R 3 m :H","R 3 -2""","160","Na0.70(Li0.60Al2.40)Al6(BO3)3(Si5.58B0.42O18)(OH)3O","","elbaitic tourmaline","- Al8.4 B3.42 H3 Li0.6 Na0.7 O31 Si5.58 -","- Al8.4 B3.42 H3 Li0.6 Na0.7 O31 Si5.58 -","- Al25.2 B10.26 H9 Li1.8 Na2.1 O93 Si16.74 -","3","0.166667","","Sugiyama, K.; Arima, H.; Konno, H.; Kawamata, T.","Distribution of Mn in pink elbaitic tourmaline from Mogok, Myanmar","Journal of Mineralogical and Petrological Sciences","2016","111","","1","8","","","","","","","","","","","","","","","","","","","","","","has coordinates","208816","2020-10-21","18:00:00",""
"1544923","14.152","0.003","18.712","0.004","24.381","0.005","90","","90","","90","","6456","2","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C54 H97 N9 O17 -","- C54 H97 N9 O17 -","- C216 H388 N36 O68 -","4","1","","Motley, Jeremy L.; Stamps, Blake W.; Mitchell, Carter A.; Thompson, Alec T.; Cross, Jayson; You, Jianlan; Powell, Douglas R.; Stevenson, Bradley S.; Cichewicz, Robert H.","Opportunistic Sampling of Roadkill as an Entry Point to Accessing Natural Products Assembled by Bacteria Associated with Non-anthropoidal Mammalian Microbiomes","Journal of Natural Products","2016","","","","","10.1021/acs.jnatprod.6b00772","","","1.54178","CuKα","","0.161","0.1281","","","0.3038","0.3772","","","","","","1.238","","","","has coordinates","288505","2023-12-22","15:12:00",""
"1544927","4.037","0.005","10.599","0.008","14.452","0.014","94.28","0.03","95.46","0.06","90.17","0.04","613.8","1.1","566","2","566","2","","","","","","","","5","P -1","-P 1","2","","","","- C H N O S -","- C3 H2 N0.5 O0.5 S0.5 -","- C24 H16 N4 O4 S4 -","8","4","","Huang, Jun; Tang, Yumin; Gao, Ke; Liu, Feng; Guo, Han; Russell, Thomas P.; Yang, Tingbin; Liang, Yongye; Cheng, Xing; Guo, Xugang","Head-to-Head Linkage Containing Dialkoxybithiophene-Based Polymeric Semiconductors for Polymer Solar Cells with Large Open-Circuit Voltages","Macromolecules","2016","","","","","10.1021/acs.macromol.6b02275","","","0.71073","MoKα","","0.2471","0.2258","","","0.6851","0.7212","","","","","","1.788","","","","has coordinates","189663","2020-10-21","18:00:00",""
"1544931","12.907","0.014","5.227","0.006","19.57","0.02","90","","99.198","0.018","90","","1303","2","298","2","298","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C32 H38 N4 -","- C32 H38 N4 -","- C64 H76 N8 -","2","0.5","","Pati, Narendra N.; Kumar, B. Sathish; Panda, Pradeepta K.","β-Hexaalkylporphycenes: Positional Effect of Alkyl Groups toward Design and Control of Structural and Photophysical Properties in Isomeric Hexaethylporphycenes.","Organic letters","2016","","","","","10.1021/acs.orglett.6b03428","","","0.71073","MoKα","","0.1177","0.0723","","","0.198","0.2323","","","","","","1.042","","","","has coordinates","189687","2020-10-21","18:00:00",""
"1544932","9.517","0.003","18.851","0.007","7.525","0.003","90","","104.876","0.007","90","","1304.8","0.8","298","2","298","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C32 H38 N4 -","- C32 H38 N4 -","- C64 H76 N8 -","2","0.5","","Pati, Narendra N.; Kumar, B. Sathish; Panda, Pradeepta K.","β-Hexaalkylporphycenes: Positional Effect of Alkyl Groups toward Design and Control of Structural and Photophysical Properties in Isomeric Hexaethylporphycenes.","Organic letters","2016","","","","","10.1021/acs.orglett.6b03428","","","0.71073","MoKα","","0.1003","0.0559","","","0.1276","0.1509","","","","","","1.013","","","","has coordinates","189687","2020-10-21","18:00:00",""
"1544942","20.2861","0.0008","24.7581","0.0009","31.1511","0.0012","90","","90","","90","","15645.5","1","113","2","113.15","","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C30 H25 Cl N2 O3 -","- C30 H25 Cl N2 O3 -","- C720 H600 Cl24 N48 O72 -","24","6","","Zhao, Hong-Wu; Liu, Yue-Yang; Zhao, Yu-Di; Pang, Hai-Liang; Chen, Xiao-Qin; Song, Xiu-Qing; Tian, Ting; Li, Bo; Yang, Zhao; Du, Juan; Feng, Ning-Ning","[3 + 2] Cycloaddition of Oxazol-5-(4H)-ones with Nitrones for Diastereoselective Synthesis of Isoxazolidin-5-ones.","Organic letters","2016","","","","","10.1021/acs.orglett.6b03206","","","0.71073","MoKα","","0.0437","0.0358","","","0.0856","0.0897","","","","","","1.019","","","","has coordinates","189697","2020-10-21","18:00:00",""
"1544946","12.8335","0.0005","11.8956","0.0005","12.9307","0.0005","90","","106.751","0.001","90","","1890.26","0.13","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","DK-KS-Q87","((8R,8aS)-3-oxo-8a-propyloctahydroindolizin-8-yl)methyl 4-bromophenylcarbamate","","- C19 H25 Br N2 O3 -","- C19 H25 Br N2 O3 -","- C76 H100 Br4 N8 O12 -","4","2","","Srinivas, Kyatham; Singh, Nishant; Das, Dinabandhu; Koley, Dipankar","Organocatalytic, Asymmetric Synthesis of Aza-Quaternary Center of Izidine Alkaloids: Synthesis of (-)-Tricyclic Skeleton of Cylindricine.","Organic letters","2016","","","","","10.1021/acs.orglett.6b03605","","","0.71073","MoKα","","0.0407","0.0317","","","0.0631","0.0655","","","","","","0.994","","","","has coordinates","189701","2020-10-21","18:00:00",""
"1544949","24.87","0.0006","6.6662","0.0001","13.8578","0.0003","90","","107.661","0.002","90","","2189.18","0.08","173","0.3","173","0.3","","","","","","","","3","C 1 2 1","C 2y","5","","","","- C12 H12.5 O4.25 -","- C12 H12.5 O4.25 -","- C96 H100 O34 -","8","2","","Zhao, Huan; Chen, Guo-Dong; Zou, Jian; He, Rong-Rong; Qin, Sheng-Ying; Hu, Dan; Li, Guo-Qiang; Guo, Liang-Dong; Yao, Xin-Sheng; Gao, Hao","Dimericbiscognienyne A: A Meroterpenoid Dimer from Biscogniauxia sp. with New Skeleton and Its Activity.","Organic letters","2016","","","","","10.1021/acs.orglett.6b03264","","","1.54178","CuKα","","0.0341","0.0328","","","0.0873","0.0883","","","","","","1.083","","","","has coordinates","217633","2020-10-21","18:00:00",""
"1544950","24.2191","0.0004","14.0289","0.0002","18.017","0.0002","90","","103.396","0.0013","90","","5955.03","0.15","173","0.1","173","0.1","","","","","","","","3","C 1 2 1","C 2y","5","","","","- C64 H84 O14 -","- C64 H84 O14 -","- C256 H336 O56 -","4","1","","Zhao, Huan; Chen, Guo-Dong; Zou, Jian; He, Rong-Rong; Qin, Sheng-Ying; Hu, Dan; Li, Guo-Qiang; Guo, Liang-Dong; Yao, Xin-Sheng; Gao, Hao","Dimericbiscognienyne A: A Meroterpenoid Dimer from Biscogniauxia sp. with New Skeleton and Its Activity.","Organic letters","2016","","","","","10.1021/acs.orglett.6b03264","","x-ray","1.54184","CuKα","","0.0503","0.0481","","","0.13","0.1328","","","","","","1.039","","","","has coordinates,has disorder","189705","2020-10-21","18:00:00",""
"1544951","14.6149","0.0003","14.6149","0.0003","6.24615","0.00013","90","","90","","120","","1155.41","0.04","173","0.1","173","0.1","","","","","","","","3","P 31","P 31","144","","","","- C16 H22 O3 -","- C16 H22 O3 -","- C48 H66 O9 -","3","1","","Zhao, Huan; Chen, Guo-Dong; Zou, Jian; He, Rong-Rong; Qin, Sheng-Ying; Hu, Dan; Li, Guo-Qiang; Guo, Liang-Dong; Yao, Xin-Sheng; Gao, Hao","Dimericbiscognienyne A: A Meroterpenoid Dimer from Biscogniauxia sp. with New Skeleton and Its Activity.","Organic letters","2016","","","","","10.1021/acs.orglett.6b03264","","","1.54184","CuKα","","0.0519","0.0516","","","0.1358","0.1362","","","","","","1.046","","","","has coordinates","189706","2020-10-21","18:00:00",""
"1544954","11.394","0.0001","19.6042","0.0002","14.8451","0.0001","90","","93.367","0.001","90","","3310.23","0.05","150","2","150.15","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C65 H86 Cl2 O23 -","- C65 H74 Cl2 O23 -","- C130 H148 Cl4 O46 -","2","1","","Li, Wan Shan; Wu, Jun; Li, Jun; Satyanandamurty, Tirumani; Shen, Li; Bringmann, Gerhard","Krishnadimer A, an Axially Chiral Non-biaryl Natural Product: Discovery and Biomimetic Synthesis.","Organic letters","2016","","","","","10.1021/acs.orglett.6b03479","","","1.54178","CuKα","","0.1033","0.0989","","","0.2003","0.2024","","","","","","1.008","","","","has coordinates,has disorder","189709","2020-10-21","18:00:00",""
"1544955","17.38343","0.00014","17.46463","0.00015","23.5998","0.0002","90","","90","","90","","7164.79","0.1","294.1","0.1","294.1","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C72 H88 Cl6 O22 -","- C72 H88 Cl6 O22 -","- C288 H352 Cl24 O88 -","4","1","","Li, Wan Shan; Wu, Jun; Li, Jun; Satyanandamurty, Tirumani; Shen, Li; Bringmann, Gerhard","Krishnadimer A, an Axially Chiral Non-biaryl Natural Product: Discovery and Biomimetic Synthesis.","Organic letters","2016","","","","","10.1021/acs.orglett.6b03479","","x-ray","1.54178","CuKα","","0.0413","0.0394","","","0.1056","0.1075","","","","","","1.025","","","","has coordinates,has disorder","189710","2020-10-21","18:00:00",""
"1544956","9.2287","0.0001","12.5822","0.0002","28.2476","0.0003","90","","90","","90","","3280.04","0.07","150","0.1","150","0.1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C35 H44 O11 -","- C35 H44 O11 -","- C140 H176 O44 -","4","1","","Li, Wan Shan; Wu, Jun; Li, Jun; Satyanandamurty, Tirumani; Shen, Li; Bringmann, Gerhard","Krishnadimer A, an Axially Chiral Non-biaryl Natural Product: Discovery and Biomimetic Synthesis.","Organic letters","2016","","","","","10.1021/acs.orglett.6b03479","","x-ray","1.54178","CuKα","","0.0289","0.0284","","","0.0719","0.0724","","","","","","1.031","","","","has coordinates","189711","2020-10-21","18:00:00",""
"1544957","11.1304","0.0005","11.9608","0.0007","15.9285","0.0007","90","","90","","90","","2120.54","0.18","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C24 H24 N2 O2 S -","- C24 H24 N2 O2 S -","- C96 H96 N8 O8 S4 -","4","1","","Sengoden, Mani; Bhowmick, Abhisikta; Punniyamurthy, Tharmalingam","Stereospecific Copper-Catalyzed Domino Ring Opening and sp(3) C-H Functionalization of Activated Aziridines with N-Alkylanilines.","Organic letters","2016","","","","","10.1021/acs.orglett.6b03458","","x-ray","0.71073","MoKα","","0.0773","0.0504","","","0.1012","0.1185","","","","","","1.051","","","","has coordinates","189712","2020-10-21","18:00:00",""
"1544958","10.0307","0.0016","10.0307","0.0016","19.782","0.003","90","","90","","90","","1990.4","0.5","273.77","0.1","273.77","0.1","","","","","","","","4","P 43","P 4cw","78","","","","- C18 H30 N2 O5 -","- C18 H30 N2 O5 -","- C72 H120 N8 O20 -","4","1","","Song, Qiu-Yan; Yu, Hai-Tao; Zhang, Xing-Xu; Nan, Zhi-Biao; Gao, Kun","Dahurelmusin A, a Hybrid Peptide-Polyketide from Elymus dahuricus Infected by the Epichloë bromicola Endophyte.","Organic letters","2016","","","","","10.1021/acs.orglett.6b03568","","x-ray","1.54184","CuKα","","0.0866","0.0527","","","0.1239","0.1508","","","","","","0.977","","","","has coordinates","189713","2020-10-21","18:00:00",""
"1544959","7.9556","0.0005","13.9015","0.0009","14.3121","0.001","69.323","0.002","88.953","0.002","80.298","0.002","1458.25","0.17","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C22 H33 Cl2 F6 O2 Rh2 Sb -","- C22 H33 Cl2 F6 O2 Rh2 Sb -","- C44 H66 Cl4 F12 O4 Rh4 Sb2 -","2","1","","Yuan, Chunchen; Tu, Guangliang; Zhao, Yingsheng","Rhodium(III)-Catalyzed Selective Monoarylation of β or γ C(sp(3))-H Bonds Assisted by a Trimethylpyrazole Group.","Organic letters","2016","","","","","10.1021/acs.orglett.6b03522","","","0.71073","MoKα","","0.0376","0.0311","","","0.0863","0.0903","","","","","","1.073","","","","has coordinates","189714","2020-10-21","18:00:00",""
"1544960","30.303","0.002","14.1499","0.001","30.774","0.002","90","","115.729","0.0011","90","","11887.2","1.4","150","2","150","2","","","","","","","","3","I 1 2/a 1","-I 2ya","15","","","","- C72 H79 O9 -","- C66 H68 O6 -","- C528 H544 O48 -","8","1","","Wu, Chong; Ikejiri, Yusuke; Zeng, Xi; Elsegood, Mark R. J.; Redshaw, Carl; Yamato, Takehiko","Synthesis of Mono-O-alkylated Homooxacalix[3]arene and a Protection-Deprotection Strategy for Homooxacalix[3]arene.","Organic letters","2016","","","","","10.1021/acs.orglett.6b03338","","","0.71073","MoKα","","0.0875","0.0573","","","0.1347","0.1515","","","","","","1.071","","","","has coordinates","189715","2020-10-21","18:00:00",""
"1544961","22.6735","0.0016","14.6312","0.001","10.9828","0.0008","90","","100.386","0.0013","90","","3583.7","0.4","150","2","150","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C39 H54 O6 -","- C39 H54 O6 -","- C156 H216 O24 -","4","1","","Wu, Chong; Ikejiri, Yusuke; Zeng, Xi; Elsegood, Mark R. J.; Redshaw, Carl; Yamato, Takehiko","Synthesis of Mono-O-alkylated Homooxacalix[3]arene and a Protection-Deprotection Strategy for Homooxacalix[3]arene.","Organic letters","2016","","","","","10.1021/acs.orglett.6b03338","","","0.71073","MoKα","","0.1212","0.0573","","","0.1404","0.1808","","","","","","1.006","","","","has coordinates","189715","2020-10-21","18:00:00",""
"1544962","12.422","0.003","14.815","0.004","17.902","0.005","90","","90","","90","","3294.5","1.5","296","2","296","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C20 H18 N2 O3 -","- C20 H18 N2 O3 -","- C160 H144 N16 O24 -","8","1","","Cheng, Jian; Li, Weipeng; Duan, Yingqian; Cheng, Yixiang; Yu, Shouyun; Zhu, Chengjian","Relay Visible-Light Photoredox Catalysis: Synthesis of Pyrazole Derivatives via Formal [4 + 1] Annulation and Aromatization.","Organic letters","2016","","","","","10.1021/acs.orglett.6b03497","","","0.71073","MoKα","","0.1048","0.0646","","","0.1187","0.1361","","","","","","1.128","","","","has coordinates","189716","2020-10-21","18:00:00",""
"1544964","5.6289","0.0001","16.3886","0.0002","17.0415","0.0002","90","","90","","90","","1572.07","0.04","290","2","290","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C17 H17 N O4 -","- C17 H17 N O4 -","- C68 H68 N4 O16 -","4","1","","Li, Lu-Lu; Tao, Zhong-Lin; Han, Zhi-Yong; Gong, Liu-Zhu","Double Chiral Induction Enables a Stereoselective Carbonyl Allylation with Simple Alkenes under the Sequential Catalysis of Palladium Complex and Chiral Phosphoric Acid.","Organic letters","2016","","","","","10.1021/acs.orglett.6b03378","","","1.54184","CuKα","","0.0347","0.033","","","0.1013","0.1094","","","","","","1.07","","","","has coordinates","189718","2020-10-21","18:00:00",""
"1544968","12.6569","0.0014","6.8697","0.0007","11.6339","0.0013","90","","90","","90","","1011.56","0.19","295","2","295","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C11 H7 F3 O2 -","- C11 H7 F3 O2 -","- C44 H28 F12 O8 -","4","0.5","","Xiang, Haoyue; Zhao, Qinglan; Tang, Zhenyu; Xiao, Junan; Xia, Pengju; Wang, Chaoming; Yang, Chunhao; Chen, Xiaoqing; Yang, Hua","Visible-Light-Driven, Radical-Triggered Tandem Cyclization of o-Hydroxyaryl Enaminones: Facile Access to 3-CF2 /CF3-Containing Chromones.","Organic letters","2016","","","","","10.1021/acs.orglett.6b03441","","","0.71073","MoKα","","0.053","0.0455","","","0.1253","0.1365","","","","","","1.111","","","","has coordinates,has disorder","189722","2020-10-21","18:00:00",""
"1545001","8.407","0.0004","23.1784","0.0013","11.0659","0.0006","90","","100.323","0.002","90","","2121.41","0.19","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C23 H30 O6 -","- C23 H30 O6 -","- C92 H120 O24 -","4","2","","Qiao, Yuben; Xu, Qianqian; Hu, Zhengxi; Li, Xiao-Nian; Xiang, Ming; Liu, Junjun; Huang, Jinfeng; Zhu, Hucheng; Wang, Jianping; Luo, Zengwei; Xue, Yongbo; Zhang, Yonghui","Diterpenoids of the Cassane Type from Caesalpinia decapetala.","Journal of natural products","2016","79","12","3134","3142","10.1021/acs.jnatprod.6b00910","","","1.54178","CuKα","","0.0553","0.0545","","","0.1412","0.1422","","","","","","1.075","","","","has coordinates","189878","2020-10-21","18:00:00",""
"1545002","9.4232","0.0002","8.8867","0.0002","18.0421","0.0004","90","","104.356","0.001","90","","1463.69","0.06","296","2","296","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C30 H38 O11 -","- C30 H38 O11 -","- C60 H76 O22 -","2","1","","Gao, Lei; Zhang, Rujun; Lan, Jianfeng; Ning, Ruonan; Wu, Di; Chen, Di; Zhao, Weimin","β-Dihydroagarofuran-Type Sesquiterpenes from the Seeds of Celastrus monospermus and Their Lifespan-Extending Effects on the Nematode Caenorhabditis elegans.","Journal of natural products","2016","79","12","3039","3046","10.1021/acs.jnatprod.6b00648","","","1.54178","CuKα","","0.0322","0.0304","","","0.0807","0.0872","","","","","","1.094","","","","has coordinates","189879","2020-10-21","18:00:00",""
"1545004","5.1315","0.0006","14.049","0.0014","23.6852","0.0019","90","","90","","90","","1707.5","0.3","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C16 H18 F2 I N O3 -","- C16 H17 F2 I N O3 -","- C64 H68 F8 I4 N4 O12 -","4","1","","Sun, Guodong; Wei, Mingjie; Luo, Zhonghua; Liu, Yongjun; Chen, Zhijun; Wang, Zhongqing","An Alternative Scalable Process for the Synthesis of the Key Intermediate of Omarigliptin","Organic Process Research & Development","2016","20","12","2074","","10.1021/acs.oprd.6b00295","","","1.54178","CuKα","","0.0576","0.0454","","","0.1095","0.1204","","","","","","1.009","","","","has coordinates","214153","2020-10-21","18:00:00",""
"1545048","5.6865","0.0004","11.515","0.002","8.2545","0.0007","90","","90","","90","","540.51","0.11","","","","","","","","","","","","4","I m m a","-I 2b 2","74","hydrous wadsleyite","","hydrous wadsleyite","- H0.162 Mg1.8965 O4 Si1.001 -","- H2 Mg1.8965 O4 Si1.001 -","- H16 Mg15.172 O32 Si8.008 -","8","0.5","","Purevjav, N.; Okuchi, T.; Tomioka, N.; Wang, X.; Hoffmann, C.","Quantitative analysis of hydrogen sites and occupancy in deep mantle hydrous wadsleyite using single crystal neutron diffraction : Sample at 295 K","Scientific Reports","2016","6","","34988","-","","","","","","","","","","","","","","","","","","","","","","has coordinates","190551","2020-10-21","18:00:00",""
"1545053","4.01867","","4.01867","","4.06542","","90","","90","","90","","65.655","","300","","","","100","","","","","","","2","P 4/m m m","-P 4 2","123","","","","- Al Ti -","- Al Ti -","- Al2 Ti2 -","2","0.125","","Liss, Klaus-Dieter; Funakoshi, Ken-Ichi; Dippenaar, Rian; Higo, Yuji; Shiro, Ayumi; Reid, Mark; Suzuki, Hiroshi; Shobu, Takahisa; Akita, Koichi","Hydrostatic Compression Behavior and High-Pressure Stabilized β-Phase in γ-Based Titanium Aluminide Intermetallics","Metals","2016","6","7","165","","10.3390/met6070165","","","","","","","","","","","","","","","","","","","","","has coordinates","190600","2020-10-21","18:00:00",""
"1545054","5.76803","","5.76803","","4.64241","","90","","90","","120","","133.761","","300","","","","100","","","","","","","2","P 63/m m c","-P 6c 2c","194","","","","- Al Ti3 -","- Al Ti3 -","- Al2 Ti6 -","2","0.0833333","","Liss, Klaus-Dieter; Funakoshi, Ken-Ichi; Dippenaar, Rian; Higo, Yuji; Shiro, Ayumi; Reid, Mark; Suzuki, Hiroshi; Shobu, Takahisa; Akita, Koichi","Hydrostatic Compression Behavior and High-Pressure Stabilized β-Phase in γ-Based Titanium Aluminide Intermetallics","Metals","2016","6","7","165","","10.3390/met6070165","","","","","","","","","","","","","","","","","","","","","has coordinates","190601","2020-10-21","18:00:00",""
"1545083","12.9481","0.0001","12.9481","0.0001","12.9481","0.0001","90","","90","","90","","2170.79","0.03","","","","","","","","","","","","5","I a -3 d","-I 4bd 2c 3","230","Li6.5La3Zr1.5Ta0.5O12 cubic phase","","","- La3 Li6.5 O12 Ta0.5 Zr1.5 -","- La3 Li6.42 O12 Ta0.484 Zr1.518 -","- La24 Li51.36 O96 Ta3.872 Zr12.144 -","8","0.0833333","","Hamao, N.; Kataoka, K.; Kijima, N.; Akimoto, J.","Synthesis, crystal structure and conductive properties of garnet-type lithium ion conductor Al-free Li7-xLa3Zr2-xTaxO12 (0<=x<=0.6)","Journal of the Ceramic Society of Japan","2016","124","","678","683","","","","","","","","","","","","","","","","","","","","","","has coordinates","190735","2020-10-21","18:00:00",""
"1545084","12.9598","0.0002","12.9598","0.0002","12.9598","0.0002","90","","90","","90","","2176.68","0.06","","","","","","","","","","","","5","I a -3 d","-I 4bd 2c 3","230","Li6.7La3Zr1.7Ta0.3O12 cubic phase","","","- La3 Li6.7 O12 Ta0.3 Zr1.7 -","- La3 Li6.63 O12 Ta0.326 Zr1.676 -","- La24 Li53.04 O96 Ta2.608 Zr13.408 -","8","0.0833333","","Hamao, N.; Kataoka, K.; Kijima, N.; Akimoto, J.","Synthesis, crystal structure and conductive properties of garnet-type lithium ion conductor Al-free Li7-xLa3Zr2-xTaxO12 (0<=x<=0.6)","Journal of the Ceramic Society of Japan","2016","124","","678","683","","","","","","","","","","","","","","","","","","","","","","has coordinates","190736","2020-10-21","18:00:00",""
"1545085","13.101","0.002","13.101","0.002","12.72","0.005","90","","90","","90","","2183.2","1","","","","","","","","","","","","5","I 41/a c d","-I 4bd 2c","142","Li6.5La3Zr1.5Ta0.5O12 tetragonal phase","","","- La3 Li6.5 O12 Ta0.5 Zr1.5 -","- La3 Li7 O12 Zr2 -","- La24 Li56 O96 Zr16 -","8","","","Hamao, N.; Kataoka, K.; Kijima, N.; Akimoto, J.","Synthesis, crystal structure and conductive properties of garnet-type lithium ion conductor Al-free Li7-xLa3Zr2-xTaxO12 (0<=x<=0.6)","Journal of the Ceramic Society of Japan","2016","124","","678","683","","","","","","","","","","","","","","","","","","","","","","has coordinates","190737","2020-10-21","18:00:00",""
"1545086","13.1023","0.0006","13.1023","0.0006","12.6896","0.0008","90","","90","","90","","2178.4","0.2","","","","","","","","","","","","5","I 41/a c d","-I 4bd 2c","142","Li6.7La3Zr1.7Ta0.3O12 tetragonal phase","","","- La3 Li6.7 O12 Ta0.3 Zr1.7 -","- La3 Li7 O12 Zr2 -","- La24 Li56 O96 Zr16 -","8","","","Hamao, N.; Kataoka, K.; Kijima, N.; Akimoto, J.","Synthesis, crystal structure and conductive properties of garnet-type lithium ion conductor Al-free Li7-xLa3Zr2-xTaxO12 (0<=x<=0.6)","Journal of the Ceramic Society of Japan","2016","124","","678","683","","","","","","","","","","","","","","","","","","","","","","has coordinates","190738","2020-10-21","18:00:00",""
"1545547","7.7299","0.0002","7.7299","0.0002","5.6587","0.0002","90","","90","","90","","338.115","0.017","","","","","","","","","","","","2","P -4 21 c","P -4 2n","114","","","","- Bi2 O3 -","- Bi2 O3 -","- Bi8 O12 -","4","0.5","","Perez-Mezcua, Dulce; Bretos, Inigo; Jimenez, Ricardo; Ricote, Jesus; Jimenez-Rioboo, Rafael J.; Goncalves da Silva, Cosmelina; Chateigner, Daniel; Fuentes-Cobas, Luis; Sirera, Rafael; Calzada, Lourdes M.","Photochemical solution processing of films of metastable phases for flexible devices: the beta-Bi2O3 polymorph","Scientific Reports","2016","6","","39561","39561","10.1038/srep39561","","","","","","","","","","","","","","","","","","","","","has coordinates","194195","2020-10-21","18:00:00",""
"1545809","7.8566","0.0012","21.336","0.004","8.3872","0.0017","90","","90.911","0.011","90","","1405.8","0.4","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C32 H36 N4 O4 -","- C32 H36 N4 O4 -","- C64 H72 N8 O8 -","2","0.5","","Mir, Niyaz A.; Dubey, Ritesh; Desiraju, Gautam R.","Four- and five-component molecular solids: crystal engineering strategies based on structural inequivalence","IUCrJ","2016","3","2","96","101","10.1107/S2052252515023945","","","0.71073","MoKα","","0.0612","0.0561","","","0.1643","0.1744","","","","","","1.092","","","","has coordinates","195745","2020-10-21","18:00:00",""
"1545810","7.7971","0.0014","22.217","0.005","7.9179","0.0015","90","","91.479","0.015","90","","1371.1","0.5","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C30 H34 N2 O4 S2 -","- C30 H34 N2 O4 S2 -","- C60 H68 N4 O8 S4 -","2","0.5","","Mir, Niyaz A.; Dubey, Ritesh; Desiraju, Gautam R.","Four- and five-component molecular solids: crystal engineering strategies based on structural inequivalence","IUCrJ","2016","3","2","96","101","10.1107/S2052252515023945","","","0.71073","MoKα","","0.0589","0.0533","","","0.1565","0.168","","","","","","1.087","","","","has coordinates","195745","2020-10-21","18:00:00",""
"1545811","7.409","0.01","8.781","0.011","15.36","0.019","81.63","0.03","86.57","0.03","78.64","0.02","969","2","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C43 H49 N5 O4 -","- C43 H49 N5 O4 -","- C43 H49 N5 O4 -","1","0.5","","Mir, Niyaz A.; Dubey, Ritesh; Desiraju, Gautam R.","Four- and five-component molecular solids: crystal engineering strategies based on structural inequivalence","IUCrJ","2016","3","2","96","101","10.1107/S2052252515023945","","","0.71073","MoKα","","0.1435","0.0803","","","0.1939","0.2501","","","","","","0.933","","","","has coordinates","195745","2020-10-21","18:00:00",""
"1545812","7.5571","0.0007","24.125","0.002","12.9363","0.0013","90","","92.034","0.004","90","","2357","0.4","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C29 H30 N2 O2 -","- C29 H30 N2 O2 -","- C116 H120 N8 O8 -","4","1","","Mir, Niyaz A.; Dubey, Ritesh; Desiraju, Gautam R.","Four- and five-component molecular solids: crystal engineering strategies based on structural inequivalence","IUCrJ","2016","3","2","96","101","10.1107/S2052252515023945","","","0.71073","MoKα","","0.085","0.0678","","","0.1859","0.205","","","","","","1.175","","","","has coordinates","195745","2020-10-21","18:00:00",""
"1545813","8.292","0.006","20.615","0.015","8.47","0.006","90","","92.435","0.007","90","","1446.6","1.8","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C34 H38 N2 O4 -","- C34 H38 N2 O4 -","- C68 H76 N4 O8 -","2","0.5","","Mir, Niyaz A.; Dubey, Ritesh; Desiraju, Gautam R.","Four- and five-component molecular solids: crystal engineering strategies based on structural inequivalence","IUCrJ","2016","3","2","96","101","10.1107/S2052252515023945","","","0.71073","MoKα","","0.0807","0.0652","","","0.1946","0.2143","","","","","","1.072","","","","has coordinates","195745","2020-10-21","18:00:00",""
"1545814","7.485","0.006","8.797","0.007","14.171","0.012","96.618","0.013","93.306","0.012","91.826","0.014","924.6","1.3","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C44 H46 N6 O4 -","- C44 H46 N6 O4 -","- C44 H46 N6 O4 -","1","0.5","","Mir, Niyaz A.; Dubey, Ritesh; Desiraju, Gautam R.","Four- and five-component molecular solids: crystal engineering strategies based on structural inequivalence","IUCrJ","2016","3","2","96","101","10.1107/S2052252515023945","","","0.71073","MoKα","","0.0542","0.0486","","","0.1495","0.1632","","","","","","1.093","","","","has coordinates","195745","2020-10-21","18:00:00",""
"1545815","7.492","0.005","9.069","0.006","13.643","0.01","98.069","0.013","92.516","0.006","91.428","0.008","916.5","1.1","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C42 H44 N4 O4 S2 -","- C42 H44 N4 O4 S2 -","- C42 H44 N4 O4 S2 -","1","0.5","","Mir, Niyaz A.; Dubey, Ritesh; Desiraju, Gautam R.","Four- and five-component molecular solids: crystal engineering strategies based on structural inequivalence","IUCrJ","2016","3","2","96","101","10.1107/S2052252515023945","","","0.71073","MoKα","","0.0526","0.0479","","","0.1317","0.1459","","","","","","1.087","","","","has coordinates","195745","2020-10-21","18:00:00",""
"1545816","7.3795","0.001","8.8871","0.0013","29.533","0.005","89.495","0.017","84.054","0.016","85.281","0.01","1919.9","0.5","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C90 H96 N10 O8 -","- C90 H96 N10 O8 -","- C90 H96 N10 O8 -","1","0.5","","Mir, Niyaz A.; Dubey, Ritesh; Desiraju, Gautam R.","Four- and five-component molecular solids: crystal engineering strategies based on structural inequivalence","IUCrJ","2016","3","2","96","101","10.1107/S2052252515023945","","","0.71073","MoKα","","0.1001","0.0688","","","0.1879","0.2293","","","","","","1.093","","","","has coordinates","195745","2020-10-21","18:00:00",""
"1545817","7.478","0.012","8.739","0.014","23.37","0.03","92.36","0.03","90.29","0.03","93.131","0.019","1524","4","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C75 H73 N8 O6 -","- C75 H73 N8 O6 -","- C75 H73 N8 O6 -","1","0.5","","Mir, Niyaz A.; Dubey, Ritesh; Desiraju, Gautam R.","Four- and five-component molecular solids: crystal engineering strategies based on structural inequivalence","IUCrJ","2016","3","2","96","101","10.1107/S2052252515023945","","","0.71073","MoKα","","0.1271","0.0922","","","0.2642","0.3001","","","","","","1.011","","","","has coordinates","195745","2020-10-21","18:00:00",""
"1545818","7.528","0.011","8.948","0.014","14.11","0.02","96.219","0.017","94.61","0.02","90.598","0.013","942","2","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C46 H48 N4 O4 -","- C46 H48 N4 O4 -","- C46 H48 N4 O4 -","1","0.5","","Mir, Niyaz A.; Dubey, Ritesh; Desiraju, Gautam R.","Four- and five-component molecular solids: crystal engineering strategies based on structural inequivalence","IUCrJ","2016","3","2","96","101","10.1107/S2052252515023945","","","0.71073","MoKα","","0.0611","0.0511","","","0.1489","0.1668","","","","","","1.06","","","","has coordinates","195745","2020-10-21","18:00:00",""
"1545819","7.4957","0.0013","8.7882","0.0017","14.308","0.003","97.049","0.011","94.334","0.013","91.781","0.01","931.9","0.3","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C44 H48 N6 O4 -","- C44 H48 N6 O4 -","- C44 H48 N6 O4 -","1","0.5","","Mir, Niyaz A.; Dubey, Ritesh; Desiraju, Gautam R.","Four- and five-component molecular solids: crystal engineering strategies based on structural inequivalence","IUCrJ","2016","3","2","96","101","10.1107/S2052252515023945","","","0.71073","MoKα","","0.065","0.0565","","","0.1589","0.1813","","","","","","1.115","","","","has coordinates","195745","2020-10-21","18:00:00",""
"1545820","7.531","0.009","9.026","0.012","13.941","0.017","98.18","0.02","92.03","0.03","91.235","0.012","937","2","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C42 H46 N4 O4 S2 -","- C42 H46 N4 O4 S2 -","- C42 H46 N4 O4 S2 -","1","0.5","","Mir, Niyaz A.; Dubey, Ritesh; Desiraju, Gautam R.","Four- and five-component molecular solids: crystal engineering strategies based on structural inequivalence","IUCrJ","2016","3","2","96","101","10.1107/S2052252515023945","","","0.71073","MoKα","","0.0929","0.0823","","","0.2705","0.2817","","","","","","1.156","","","","has coordinates","195745","2020-10-21","18:00:00",""
"1545821","7.4611","0.0003","8.7285","0.0004","23.6219","0.001","92.85","0.001","91.347","0.001","93.317","0.001","1533.34","0.11","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C75 H75 N8 O6 -","- C75 H75 N8 O6 -","- C75 H75 N8 O6 -","1","0.5","","Mir, Niyaz A.; Dubey, Ritesh; Desiraju, Gautam R.","Four- and five-component molecular solids: crystal engineering strategies based on structural inequivalence","IUCrJ","2016","3","2","96","101","10.1107/S2052252515023945","","","0.71073","MoKα","","0.0627","0.0552","","","0.1315","0.1356","","","","","","1.091","","","","has coordinates","195745","2020-10-21","18:00:00",""
"1545822","7.4709","0.0003","8.7326","0.0003","23.6381","0.0009","92.857","0.001","91.317","0.001","93.293","0.001","1537.18","0.1","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C77 H79 N8 O5 -","- C77.0006 H79.0018 N8 O5 -","- C77.0006 H79.0018 N8 O5 -","1","0.5","","Mir, Niyaz A.; Dubey, Ritesh; Desiraju, Gautam R.","Four- and five-component molecular solids: crystal engineering strategies based on structural inequivalence","IUCrJ","2016","3","2","96","101","10.1107/S2052252515023945","","","0.71073","MoKα","","0.0892","0.0593","","","0.1473","0.1643","","","","","","1.031","","","","has coordinates","195745","2020-10-21","18:00:00",""
"1545823","7.4914","0.0003","8.8265","0.0004","23.583","0.001","92.722","0.001","92.976","0.001","91.626","0.001","1554.77","0.11","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C77 H77 N6 O6 -","- C77 H77 N6 O6 -","- C77 H77 N6 O6 -","1","0.5","","Mir, Niyaz A.; Dubey, Ritesh; Desiraju, Gautam R.","Four- and five-component molecular solids: crystal engineering strategies based on structural inequivalence","IUCrJ","2016","3","2","96","101","10.1107/S2052252515023945","","","0.71073","MoKα","","0.0917","0.0545","","","0.1472","0.1641","","","","","","1.059","","","","has coordinates","195745","2020-10-21","18:00:00",""
"1545824","7.5407","0.0012","8.9198","0.0013","14.284","0.003","96.506","0.007","96.093","0.01","90.634","0.01","948.9","0.3","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C46 H50 N4 O4 -","- C46 H50 N4 O4 -","- C46 H50 N4 O4 -","1","0.5","","Mir, Niyaz A.; Dubey, Ritesh; Desiraju, Gautam R.","Four- and five-component molecular solids: crystal engineering strategies based on structural inequivalence","IUCrJ","2016","3","2","96","101","10.1107/S2052252515023945","","","0.71073","MoKα","","0.0641","0.0546","","","0.1518","0.1686","","","","","","1.103","","","","has coordinates","195745","2020-10-21","18:00:00",""
"1545825","8.356","0.004","24.894","0.012","11.744","0.006","90","","96.324","0.006","90","","2428","2","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C27 H38 N2 O2 -","- C27 H38 N2 O2 -","- C108 H152 N8 O8 -","4","1","","Mir, Niyaz A.; Dubey, Ritesh; Desiraju, Gautam R.","Four- and five-component molecular solids: crystal engineering strategies based on structural inequivalence","IUCrJ","2016","3","2","96","101","10.1107/S2052252515023945","","","0.71073","MoKα","","0.0942","0.068","","","0.195","0.2218","","","","","","1.092","","","","has coordinates","195745","2020-10-21","18:00:00",""
"1545826","7.546","0.0009","9.4647","0.0016","14.8318","0.0019","85.58","0.02","77.14","0.02","86.77","0.03","1028.8","0.3","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C50 H52 N4 O4 -","- C50 H52 N4 O4 -","- C50 H52 N4 O4 -","1","0.5","","Mir, Niyaz A.; Dubey, Ritesh; Desiraju, Gautam R.","Four- and five-component molecular solids: crystal engineering strategies based on structural inequivalence","IUCrJ","2016","3","2","96","101","10.1107/S2052252515023945","","","0.71073","MoKα","","0.0919","0.0624","","","0.1955","0.2346","","","","","","0.931","","","","has coordinates","195745","2020-10-21","18:00:00",""
"1545827","7.324","0.007","8.723","0.008","15.107","0.014","82.27","0.03","88.73","0.03","78.76","0.02","938","1.5","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C42 H48 N6 O4 -","- C42 H48 N6 O4 -","- C42 H48 N6 O4 -","1","0.5","","Mir, Niyaz A.; Dubey, Ritesh; Desiraju, Gautam R.","Four- and five-component molecular solids: crystal engineering strategies based on structural inequivalence","IUCrJ","2016","3","2","96","101","10.1107/S2052252515023945","","","0.71073","MoKα","","0.0973","0.0653","","","0.1749","0.2126","","","","","","1.087","","","","has coordinates","195745","2020-10-21","18:00:00",""
"1545828","8.0059","0.0006","24.903","0.002","12.0892","0.0009","90","","91.065","0.003","90","","2409.8","0.3","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C31 H30 N2 O2 -","- C31 H30 N2 O2 -","- C124 H120 N8 O8 -","4","1","","Mir, Niyaz A.; Dubey, Ritesh; Desiraju, Gautam R.","Four- and five-component molecular solids: crystal engineering strategies based on structural inequivalence","IUCrJ","2016","3","2","96","101","10.1107/S2052252515023945","","","0.71073","MoKα","","0.0756","0.0637","","","0.1756","0.1893","","","","","","1.096","","","","has coordinates","195745","2020-10-21","18:00:00",""
"1545829","7.195","0.007","8.865","0.008","15.981","0.015","80.52","0.03","84.2","0.03","79.19","0.02","985","1.6","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C44 H50 N4 O4 -","- C44 H50 N4 O4 -","- C44 H50 N4 O4 -","1","0.5","","Mir, Niyaz A.; Dubey, Ritesh; Desiraju, Gautam R.","Four- and five-component molecular solids: crystal engineering strategies based on structural inequivalence","IUCrJ","2016","3","2","96","101","10.1107/S2052252515023945","","","0.71073","MoKα","","0.0721","0.0627","","","0.1763","0.1968","","","","","","1.072","","","","has coordinates","195745","2020-10-21","18:00:00",""
"1545830","4.9138","0.0004","33.192","0.003","8.3659","0.0007","90","","99.52","0.001","90","","1345.7","0.2","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","ACETAZOLAMIDE;2 PYRIDONE","","","- C9 H11 N5 O4 S2 -","- C9 H11 N5 O4 S2 -","- C36 H44 N20 O16 S8 -","4","1","ED5007","Bolla, Geetha; Nangia, Ashwini","Binary and ternary cocrystals of sulfa drug acetazolamide with pyridine carboxamides and cyclic amides","IUCrJ","2016","3","2","152","160","10.1107/S2052252516000543","","","0.71073","MoKα","","0.0483","0.0381","","","0.097","0.1011","","","","","","1.047","","","","has coordinates","195746","2020-10-21","18:00:00",""
"1545831","6.8501","0.0003","11.3563","0.0006","12.3387","0.0008","82.288","0.005","81.856","0.004","75.804","0.004","916.19","0.09","298","2","298","2","","","","","","","","5","P -1","-P 1","2","ACETAZOLAMIDE;2 PYRIDONE","","","- C14 H16 N6 O5 S2 -","- C14 H16 N6 O5 S2 -","- C28 H32 N12 O10 S4 -","2","1","ED5007","Bolla, Geetha; Nangia, Ashwini","Binary and ternary cocrystals of sulfa drug acetazolamide with pyridine carboxamides and cyclic amides","IUCrJ","2016","3","2","152","160","10.1107/S2052252516000543","","","1.54184","CuKα","","0.0668","0.0647","","","0.1674","0.1707","","","","","","1.032","","","","has coordinates","195746","2020-10-21","18:00:00",""
"1545832","4.9969","0.0002","11.6983","0.0006","14.6244","0.0008","70.868","0.005","81.892","0.004","80.262","0.004","792.65","0.07","298","2","298","2","","","","","","","","5","P -1","-P 1","2","ACETAZOLAMIDE; CAPROLACTAM; HYDRATE","","","- C10 H19 N5 O5 S2 -","- C10 H19 N5 O5 S2 -","- C20 H38 N10 O10 S4 -","2","1","ED5007","Bolla, Geetha; Nangia, Ashwini","Binary and ternary cocrystals of sulfa drug acetazolamide with pyridine carboxamides and cyclic amides","IUCrJ","2016","3","2","152","160","10.1107/S2052252516000543","","","1.54184","CuKα","","0.0393","0.0378","","","0.1091","0.1109","","","","","","1.078","","","","has coordinates","195746","2020-10-21","18:00:00",""
"1545833","52.62","0.03","4.816","0.002","17.814","0.009","90","","106.785","0.013","90","","4322","4","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","ACETAZOLAMIDE;DMSO","","","- C5 H9 N4 O3.5 S2.5 -","- C5 H9 N4 O3.5 S2.5 -","- C80 H144 N64 O56 S40 -","16","2","ED5007","Bolla, Geetha; Nangia, Ashwini","Binary and ternary cocrystals of sulfa drug acetazolamide with pyridine carboxamides and cyclic amides","IUCrJ","2016","3","2","152","160","10.1107/S2052252516000543","","","0.71073","MoKα","","0.0433","0.038","","","0.0971","0.1005","","","","","","1.04","","","","has coordinates","214153","2020-10-21","18:00:00",""
"1545834","11.3972","0.0007","18.1641","0.0003","10.338","0.003","90","","97.046","0.016","90","","2124","0.6","298","2","298","2","","","","","","","","5","P 1 c 1","P -2yc","7","ACETAZOLAMIDE;6 Me 2 PYRIDONE","","","- C10 H13 N5 O4 S2 -","- C10 H13 N5 O4 S2 -","- C60 H78 N30 O24 S12 -","6","3","ED5007","Bolla, Geetha; Nangia, Ashwini","Binary and ternary cocrystals of sulfa drug acetazolamide with pyridine carboxamides and cyclic amides","IUCrJ","2016","3","2","152","160","10.1107/S2052252516000543","","","1.54184","CuKα","","0.0423","0.0397","","","0.1037","0.1071","","","","","","1.022","","","","has coordinates","195746","2020-10-21","18:00:00",""
"1545835","5.1477","0.0008","10.8147","0.0014","14.2604","0.0016","69.797","0.011","85.463","0.012","81.889","0.012","737.2","0.18","298","2","298","2","","","","","","","","5","P -1","-P 1","2","ACETAZOLAMIDE;NICOTINAMIDE","","","- C10 H12 N6 O4 S2 -","- C10 H12 N6 O4 S2 -","- C20 H24 N12 O8 S4 -","2","1","ED5007","Bolla, Geetha; Nangia, Ashwini","Binary and ternary cocrystals of sulfa drug acetazolamide with pyridine carboxamides and cyclic amides","IUCrJ","2016","3","2","152","160","10.1107/S2052252516000543","","","1.54184","CuKα","","0.0819","0.0626","","","0.1722","0.1935","","","","","","1.006","","","","has coordinates","195746","2020-10-21","18:00:00",""
"1545836","7.0347","0.0003","10.2539","0.0007","13.7934","0.0009","81.685","0.006","83.028","0.005","88.283","0.005","977.14","0.1","298","2","298","2","","","","","","","","5","P -1","-P 1","2","ACETAZOLAMIDE;NICOTINAMIDE; 2 PYRIDONE","","","- C15 H17 N7 O5 S2 -","- C15 H17 N7 O5 S2 -","- C30 H34 N14 O10 S4 -","2","1","ED5007","Bolla, Geetha; Nangia, Ashwini","Binary and ternary cocrystals of sulfa drug acetazolamide with pyridine carboxamides and cyclic amides","IUCrJ","2016","3","2","152","160","10.1107/S2052252516000543","","","1.54184","CuKα","","0.0651","0.0612","","","0.1729","0.1789","","","","","","1.083","","","","has coordinates","195746","2020-10-21","18:00:00",""
"1545837","7.7872","0.0006","10.213","0.0007","10.2464","0.0007","88.192","0.005","76.587","0.006","77.996","0.006","775.22","0.1","298","2","298","2","","","","","","","","5","P -1","-P 1","2","ACETAZOLAMIDE; 3 OME 2 PYRIDONE","","","- C10 H15 N5 O6 S2 -","- C10 H15 N5 O6 S2 -","- C20 H30 N10 O12 S4 -","2","1","ED5007","Bolla, Geetha; Nangia, Ashwini","Binary and ternary cocrystals of sulfa drug acetazolamide with pyridine carboxamides and cyclic amides","IUCrJ","2016","3","2","152","160","10.1107/S2052252516000543","","","1.54184","CuKα","","0.0539","0.0496","","","0.1357","0.1413","","","","","","1.06","","","","has coordinates","195746","2020-10-21","18:00:00",""
"1545838","9.66166","0.00019","23.4685","0.0004","8.84352","0.00017","90","","100.773","0.0019","90","","1969.88","0.06","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","ACETAZOLAMIDE; VALEROLACTAM","","","- C14 H24 N6 O5 S2 -","- C14 H24 N6 O5 S2 -","- C56 H96 N24 O20 S8 -","4","1","ED5007","Bolla, Geetha; Nangia, Ashwini","Binary and ternary cocrystals of sulfa drug acetazolamide with pyridine carboxamides and cyclic amides","IUCrJ","2016","3","2","152","160","10.1107/S2052252516000543","","","1.54184","CuKα","","0.0478","0.0426","","","0.1215","0.1264","","","","","","1.077","","","","has coordinates","195746","2020-10-21","18:00:00",""
"1545839","8.8712","0.0008","10.1819","0.0009","11.2862","0.001","114.633","0.008","93.749","0.007","101","0.007","897.56","0.16","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C38 H52 N6 O4 -","- C38 H52 N6 O4 -","- C38 H52 N6 O4 -","1","0.5","","Dubey, Ritesh; Mir, Niyaz A.; Desiraju, Gautam R.","Quaternary cocrystals: combinatorial synthetic strategies based on long-range synthon Aufbau modules (LSAM)","IUCrJ","2016","3","2","102","107","10.1107/S2052252515023957","","","0.71073","MoKα","","0.0509","0.0434","","","0.1172","0.124","","","","","","1.072","","","","has coordinates","195747","2020-10-21","18:00:00",""
"1545840","15.533","0.007","8.564","0.004","21.8","0.01","90","","93.873","0.007","90","","2893","2","150","2","150","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C120 H160 N16 O17 -","- C120 H160 N16 O17 -","- C120 H160 N16 O17 -","1","0.125","","Dubey, Ritesh; Mir, Niyaz A.; Desiraju, Gautam R.","Quaternary cocrystals: combinatorial synthetic strategies based on long-range synthon Aufbau modules (LSAM)","IUCrJ","2016","3","2","102","107","10.1107/S2052252515023957","","","0.71073","MoKα","","0.0619","0.0513","","","0.1377","0.1454","","","","","","1.045","","","","has coordinates","195747","2020-10-21","18:00:00",""
"1545841","15.6084","0.0008","13.4786","0.0007","17.2209","0.0009","90","","90.2","0.002","90","","3622.9","0.3","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C36 H48 N6 O6 -","- C36 H48 N6 O6 -","- C144 H192 N24 O24 -","4","1","","Dubey, Ritesh; Mir, Niyaz A.; Desiraju, Gautam R.","Quaternary cocrystals: combinatorial synthetic strategies based on long-range synthon Aufbau modules (LSAM)","IUCrJ","2016","3","2","102","107","10.1107/S2052252515023957","","","0.71073","MoKα","","0.0757","0.0534","","","0.1812","0.2107","","","","","","0.845","","","","has coordinates","195747","2020-10-21","18:00:00",""
"1545842","9.0005","0.0008","10.0381","0.0009","14.4894","0.0013","108.432","0.008","101.78","0.007","90.484","0.006","1212","0.2","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C64 H56 N4 O4 -","- C64 H56 N4 O4 -","- C64 H56 N4 O4 -","1","0.5","","Dubey, Ritesh; Mir, Niyaz A.; Desiraju, Gautam R.","Quaternary cocrystals: combinatorial synthetic strategies based on long-range synthon Aufbau modules (LSAM)","IUCrJ","2016","3","2","102","107","10.1107/S2052252515023957","","","0.71073","MoKα","","0.0686","0.0502","","","0.1263","0.1376","","","","","","1.031","","","","has coordinates","195747","2020-10-21","18:00:00",""
"1545843","8.9943","0.0015","9.5169","0.0016","14.927","0.003","74.162","0.005","77.589","0.005","89.115","0.006","1199.2","0.4","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C29 H31 N3 O2 -","- C29 H31 N3 O2 -","- C58 H62 N6 O4 -","2","1","","Dubey, Ritesh; Mir, Niyaz A.; Desiraju, Gautam R.","Quaternary cocrystals: combinatorial synthetic strategies based on long-range synthon Aufbau modules (LSAM)","IUCrJ","2016","3","2","102","107","10.1107/S2052252515023957","","","0.71073","MoKα","","0.0801","0.0555","","","0.1406","0.1537","","","","","","1.053","","","","has coordinates","195747","2020-10-21","18:00:00",""
"1545844","9.034","0.002","9.889","0.002","14.505","0.004","107.761","0.008","101.019","0.007","91.432","0.006","1206.5","0.5","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C62 H54 N6 O4 -","- C62 H54 N6 O4 -","- C62 H54 N6 O4 -","1","0.5","","Dubey, Ritesh; Mir, Niyaz A.; Desiraju, Gautam R.","Quaternary cocrystals: combinatorial synthetic strategies based on long-range synthon Aufbau modules (LSAM)","IUCrJ","2016","3","2","102","107","10.1107/S2052252515023957","","","0.71073","MoKα","","0.0956","0.0593","","","0.145","0.1634","","","","","","1.026","","","","has coordinates","195747","2020-10-21","18:00:00",""
"1545845","8.6332","0.0013","9.0194","0.0014","14.869","0.002","105.2","0.004","91.263","0.004","91.519","0.004","1116.4","0.3","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C54 H54 N6 O6 -","- C54 H54 N6 O6 -","- C54 H54 N6 O6 -","1","0.5","","Dubey, Ritesh; Mir, Niyaz A.; Desiraju, Gautam R.","Quaternary cocrystals: combinatorial synthetic strategies based on long-range synthon Aufbau modules (LSAM)","IUCrJ","2016","3","2","102","107","10.1107/S2052252515023957","","","0.71073","MoKα","","0.1669","0.0881","","","0.247","0.2749","","","","","","0.989","","","","has coordinates","195747","2020-10-21","18:00:00",""
"1545846","7.812","0.009","8.763","0.01","14.3","0.016","95.009","0.014","95.415","0.011","101.04","0.02","950.9","1.9","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C44 H44 N6 O6 -","- C44 H44 N6 O6 -","- C44 H44 N6 O6 -","1","0.5","","Dubey, Ritesh; Mir, Niyaz A.; Desiraju, Gautam R.","Quaternary cocrystals: combinatorial synthetic strategies based on long-range synthon Aufbau modules (LSAM)","IUCrJ","2016","3","2","102","107","10.1107/S2052252515023957","","","0.71073","MoKα","","0.0637","0.0518","","","0.1519","0.1708","","","","","","1.108","","","","has coordinates","195747","2020-10-21","18:00:00",""
"1545847","10.151","0.0011","11.2084","0.0012","12.3363","0.0013","102.012","0.003","105.153","0.003","112.368","0.003","1176.1","0.2","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C56 H56 N6 O8 -","- C56 H56 N6 O8 -","- C56 H56 N6 O8 -","1","0.5","","Dubey, Ritesh; Mir, Niyaz A.; Desiraju, Gautam R.","Quaternary cocrystals: combinatorial synthetic strategies based on long-range synthon Aufbau modules (LSAM)","IUCrJ","2016","3","2","102","107","10.1107/S2052252515023957","","","0.71073","MoKα","","0.1121","0.1045","","","0.4103","0.4122","","","","","","1.193","","","","has coordinates","195747","2020-10-21","18:00:00",""
"1545848","8.662","0.002","10.289","0.003","11.523","0.003","65.003","0.005","76.93","0.005","80.277","0.006","903.5","0.4","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C38 H46 N4 O4 S2 -","- C38 H46 N4 O4 S2 -","- C38 H46 N4 O4 S2 -","1","0.5","","Dubey, Ritesh; Mir, Niyaz A.; Desiraju, Gautam R.","Quaternary cocrystals: combinatorial synthetic strategies based on long-range synthon Aufbau modules (LSAM)","IUCrJ","2016","3","2","102","107","10.1107/S2052252515023957","","","0.71073","MoKα","","0.1058","0.0725","","","0.1807","0.2011","","","","","","1.052","","","","has coordinates","195747","2020-10-21","18:00:00",""
"1545849","8.971","0.004","10.078","0.004","11.666","0.005","109.665","0.008","94.353","0.007","90.742","0.007","989.5","0.7","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C24 H23 N2 O2 -","- C24 H23 N2 O2 -","- C48 H46 N4 O4 -","2","1","","Dubey, Ritesh; Mir, Niyaz A.; Desiraju, Gautam R.","Quaternary cocrystals: combinatorial synthetic strategies based on long-range synthon Aufbau modules (LSAM)","IUCrJ","2016","3","2","102","107","10.1107/S2052252515023957","","","0.71073","MoKα","","0.224","0.0953","","","0.2195","0.276","","","","","","0.967","","","","has coordinates","195747","2020-10-21","18:00:00",""
"1545850","11.4579","0.0012","11.8325","0.0013","14.9792","0.0016","90","","107.229","0.007","90","","1939.7","0.4","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C42 H58 N4 O4 -","- C42 H58 N4 O4 -","- C84 H116 N8 O8 -","2","0.5","","Dubey, Ritesh; Mir, Niyaz A.; Desiraju, Gautam R.","Quaternary cocrystals: combinatorial synthetic strategies based on long-range synthon Aufbau modules (LSAM)","IUCrJ","2016","3","2","102","107","10.1107/S2052252515023957","","","0.71073","MoKα","","0.0785","0.0551","","","0.14","0.1532","","","","","","1.021","","","","has coordinates","195747","2020-10-21","18:00:00",""
"1545851","8.983","0.006","12.712","0.009","17.561","0.012","89.485","0.009","76.291","0.009","82.933","0.01","1933","2","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C46 H44 N6 O4 -","- C46 H44 N6 O4 -","- C92 H88 N12 O8 -","2","1","","Dubey, Ritesh; Mir, Niyaz A.; Desiraju, Gautam R.","Quaternary cocrystals: combinatorial synthetic strategies based on long-range synthon Aufbau modules (LSAM)","IUCrJ","2016","3","2","102","107","10.1107/S2052252515023957","","","0.71073","MoKα","","0.113","0.0656","","","0.1654","0.1919","","","","","","1.02","","","","has coordinates","195747","2020-10-21","18:00:00",""
"1545852","8.778","0.002","10.491","0.002","12.095","0.003","66.387","0.005","81.548","0.006","69.631","0.005","956.7","0.4","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C23 H22 N3 O2 -","- C23 H22 N3 O2 -","- C46 H44 N6 O4 -","2","1","","Dubey, Ritesh; Mir, Niyaz A.; Desiraju, Gautam R.","Quaternary cocrystals: combinatorial synthetic strategies based on long-range synthon Aufbau modules (LSAM)","IUCrJ","2016","3","2","102","107","10.1107/S2052252515023957","","","0.71073","MoKα","","0.0959","0.0597","","","0.1388","0.1559","","","","","","1.031","","","","has coordinates","195747","2020-10-21","18:00:00",""
"1545853","8.921","0.005","10.723","0.006","10.954","0.006","67.417","0.01","81.183","0.009","78.367","0.008","944.3","0.9","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C46 H50 N4 O4 -","- C46 H50 N4 O4 -","- C46 H50 N4 O4 -","1","0.5","","Dubey, Ritesh; Mir, Niyaz A.; Desiraju, Gautam R.","Quaternary cocrystals: combinatorial synthetic strategies based on long-range synthon Aufbau modules (LSAM)","IUCrJ","2016","3","2","102","107","10.1107/S2052252515023957","","","0.71073","MoKα","","0.1212","0.0736","","","0.187","0.209","","","","","","1.072","","","","has coordinates","195747","2020-10-21","18:00:00",""
"1545854","8.284","0.011","8.564","0.012","14.6","0.02","78.65","0.05","87.26","0.06","64.4","0.04","915","2","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C40 H48 N6 O6 -","- C40 H48 N6 O6 -","- C40 H48 N6 O6 -","1","0.5","","Dubey, Ritesh; Mir, Niyaz A.; Desiraju, Gautam R.","Quaternary cocrystals: combinatorial synthetic strategies based on long-range synthon Aufbau modules (LSAM)","IUCrJ","2016","3","2","102","107","10.1107/S2052252515023957","","","0.71073","MoKα","","0.1038","0.0744","","","0.2246","0.2453","","","","","","1.139","","","","has coordinates","195747","2020-10-21","18:00:00",""
"1545855","9.012","0.007","11.241","0.008","18.355","0.013","94.296","0.013","93.207","0.011","92.248","0.006","1850","2","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C44 H40 N6 O6 -","- C44 H40 N6 O6 -","- C88 H80 N12 O12 -","2","1","","Dubey, Ritesh; Mir, Niyaz A.; Desiraju, Gautam R.","Quaternary cocrystals: combinatorial synthetic strategies based on long-range synthon Aufbau modules (LSAM)","IUCrJ","2016","3","2","102","107","10.1107/S2052252515023957","","","0.71073","MoKα","","0.0785","0.0661","","","0.1803","0.2043","","","","","","1.07","","","","has coordinates","195747","2020-10-21","18:00:00",""
"1545856","7.576","0.005","9.081","0.006","16.503","0.011","96.651","0.013","90.601","0.011","91.433","0.008","1127.3","1.3","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C56 H48 N8 O6 -","- C56 H48 N8 O6 -","- C56 H48 N8 O6 -","1","0.5","","Dubey, Ritesh; Mir, Niyaz A.; Desiraju, Gautam R.","Quaternary cocrystals: combinatorial synthetic strategies based on long-range synthon Aufbau modules (LSAM)","IUCrJ","2016","3","2","102","107","10.1107/S2052252515023957","","","0.71073","MoKα","","0.0643","0.0562","","","0.155","0.1707","","","","","","1.068","","","","has coordinates","195747","2020-10-21","18:00:00",""
"1545857","8.876","0.004","11.941","0.006","17.98","0.009","90","","97.072","0.004","90","","1891.2","1.6","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C44 H46 N4 O6 -","- C44 H46 N4 O6 -","- C88 H92 N8 O12 -","2","0.5","","Dubey, Ritesh; Mir, Niyaz A.; Desiraju, Gautam R.","Quaternary cocrystals: combinatorial synthetic strategies based on long-range synthon Aufbau modules (LSAM)","IUCrJ","2016","3","2","102","107","10.1107/S2052252515023957","","","0.71073","MoKα","","0.0542","0.0486","","","0.1402","0.153","","","","","","1.104","","","","has coordinates","195747","2020-10-21","18:00:00",""
"1545858","34.376","0.0007","15.0832","0.0003","29.6413","0.0009","90","","100.675","0.002","90","","15103","0.6","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C66 H84 I6 N12 Zn3 -","- C66 H84 I6 N12 Zn3 -","- C528 H672 I48 N96 Zn24 -","8","1","","Hoshino, Manabu; Khutia, Anupam; Xing, Hongzhu; Inokuma, Yasuhide; Fujita, Makoto","The crystalline sponge method updated","IUCrJ","2016","3","2","139","151","10.1107/S2052252515024379","","x-ray","1.54184","CuKα","","0.063","0.0547","","","0.1515","0.1588","","","","","","1.053","","","","has coordinates,has disorder","195748","2020-10-21","18:00:00",""
"1545859","35.0725","0.0006","14.8911","0.0003","30.9658","0.0006","90","","101.956","0.002","90","","15821.6","0.5","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C73.5 H78.76 I6 N12 Zn3 -","- C73.5 H78.768 I6 N12 Zn3 -","- C588 H630.144 I48 N96 Zn24 -","8","1","","Hoshino, Manabu; Khutia, Anupam; Xing, Hongzhu; Inokuma, Yasuhide; Fujita, Makoto","The crystalline sponge method updated","IUCrJ","2016","3","2","139","151","10.1107/S2052252515024379","","x-ray","1.54184","CuKα","","0.0412","0.0379","","","0.1007","0.1035","","","","","","1.056","","","","has coordinates,has disorder","195748","2020-10-21","18:00:00",""
"1545860","32.8072","0.0002","14.9123","0.0001","34.9062","0.0002","90","","105.822","0.001","90","","16430.2","0.19","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C285 H317 I24 N48 O15 Zn12 -","- C285 H317 I24 N48 O15 Zn12 -","- C570 H634 I48 N96 O30 Zn24 -","2","1","","Hoshino, Manabu; Khutia, Anupam; Xing, Hongzhu; Inokuma, Yasuhide; Fujita, Makoto","The crystalline sponge method updated","IUCrJ","2016","3","2","139","151","10.1107/S2052252515024379","","x-ray","1.54184","CuKα","","0.0331","0.0312","","","0.0769","0.0781","","","","","","1.02","","","","has coordinates,has disorder","195748","2020-10-21","18:00:00",""
"1545861","34.4746","0.0008","15.0255","0.0003","30.1535","0.0009","90","","99.681","0.002","90","","15397","0.7","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C61.47 H64.79 I6.01 N12 O4.06 Zn3 -","- C61.476 H64.792 I6 N12 O4.064 Zn3 -","- C491.808 H518.336 I48 N96 O32.512 Zn24 -","8","1","","Hoshino, Manabu; Khutia, Anupam; Xing, Hongzhu; Inokuma, Yasuhide; Fujita, Makoto","The crystalline sponge method updated","IUCrJ","2016","3","2","139","151","10.1107/S2052252515024379","","x-ray","1.54184","CuKα","","0.0877","0.0808","","","0.2051","0.2136","","","","","","1.197","","","","has coordinates,has disorder","195748","2020-10-21","18:00:00",""
"1545862","34.1414","0.0019","14.5641","0.0005","34.9597","0.0014","90","","108.633","0.005","90","","16472.2","1.4","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C75 H72 I6 N12 O10.5 Zn3 -","- C75 H72 I6 N12 O10.5 Zn3 -","- C600 H576 I48 N96 O84 Zn24 -","8","1","","Hoshino, Manabu; Khutia, Anupam; Xing, Hongzhu; Inokuma, Yasuhide; Fujita, Makoto","The crystalline sponge method updated","IUCrJ","2016","3","2","139","151","10.1107/S2052252515024379","","x-ray","1.54184","CuKα","","0.0993","0.0768","","","0.1612","0.173","","","","","","1.091","","","","has coordinates,has disorder","195748","2020-10-21","18:00:00",""
"1545863","34.9043","0.0009","14.955","0.0002","30.3469","0.0008","90","","100.074","0.002","90","","15596.7","0.6","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C67 H66 I6 N12 O9 Zn3 -","- C67 H66 I6 N12 O9 Zn3 -","- C536 H528 I48 N96 O72 Zn24 -","8","1","","Hoshino, Manabu; Khutia, Anupam; Xing, Hongzhu; Inokuma, Yasuhide; Fujita, Makoto","The crystalline sponge method updated","IUCrJ","2016","3","2","139","151","10.1107/S2052252515024379","","x-ray","1.54184","CuKα","","0.0755","0.0536","","","0.1382","0.1545","","","","","","1.033","","","","has coordinates,has disorder","195748","2020-10-21","18:00:00",""
"1545864","36.8116","0.001","14.6974","0.0003","30.6993","0.0008","90","","103.07","0.002","90","","16179.1","0.7","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C69.69 H80.8 I6 N14.11 Zn3 -","- C69.678 H80.791 I6 N14.113 Zn3 -","- C557.424 H646.328 I48 N112.904 Zn24 -","8","1","","Hoshino, Manabu; Khutia, Anupam; Xing, Hongzhu; Inokuma, Yasuhide; Fujita, Makoto","The crystalline sponge method updated","IUCrJ","2016","3","2","139","151","10.1107/S2052252515024379","","x-ray","1.54184","CuKα","","0.0701","0.0653","","","0.1515","0.1541","","","","","","1.128","","","","has coordinates,has disorder","195748","2020-10-21","18:00:00",""
"1545865","32.5791","0.0008","15.2458","0.0003","29.0346","0.0009","90","","98.398","0.002","90","","14266.7","0.6","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C58.32 H48.8 I6 N14.2 O6.61 Zn3 -","- C58.316 H48.796 I6 N14.204 O6.612 Zn3 -","- C466.528 H390.368 I48 N113.632 O52.896 Zn24 -","8","1","","Hoshino, Manabu; Khutia, Anupam; Xing, Hongzhu; Inokuma, Yasuhide; Fujita, Makoto","The crystalline sponge method updated","IUCrJ","2016","3","2","139","151","10.1107/S2052252515024379","","x-ray","1.54184","CuKα","","0.0779","0.0667","","","0.1959","0.2061","","","","","","1.09","","","","has coordinates,has disorder","195748","2020-10-21","18:00:00",""
"1545866","35.1288","0.0012","14.767","0.0004","30.8649","0.0011","90","","101.432","0.003","90","","15693.4","0.9","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C64.44 H65.6 I6 N12 O1.48 Zn3 -","- C64.425 H65.59 I6 N12 O1.477 Zn3 -","- C515.4 H524.72 I48 N96 O11.816 Zn24 -","8","1","","Hoshino, Manabu; Khutia, Anupam; Xing, Hongzhu; Inokuma, Yasuhide; Fujita, Makoto","The crystalline sponge method updated","IUCrJ","2016","3","2","139","151","10.1107/S2052252515024379","","x-ray","1.54184","CuKα","","0.0517","0.0416","","","0.1136","0.1216","","","","","","1.044","","","","has coordinates,has disorder","195748","2020-10-21","18:00:00",""
"1545867","14.8292","0.0006","17.9234","0.0007","29.9062","0.0008","96.836","0.003","93.529","0.003","110.142","0.004","7364.6","0.5","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C120.9 H108 I11.99 N24 O12.59 Zn5.99 -","- C120.876 H108 I11.992 N24 O12.584 Zn5.996 -","- C241.752 H216 I23.984 N48 O25.168 Zn11.992 -","2","1","","Hoshino, Manabu; Khutia, Anupam; Xing, Hongzhu; Inokuma, Yasuhide; Fujita, Makoto","The crystalline sponge method updated","IUCrJ","2016","3","2","139","151","10.1107/S2052252515024379","","x-ray","1.54184","CuKα","","0.1572","0.1296","","","0.4157","0.439","","","","","","1.574","","","","has coordinates,has disorder","195748","2020-10-21","18:00:00",""
"1545868","14.8303","0.0005","17.913","0.0008","29.8943","0.0008","96.803","0.003","93.488","0.003","110.229","0.004","7355","0.5","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C123 H113.6 I12 N24 O12.14 Zn6 -","- C123 H113.592 I12 N24 O12.136 Zn6 -","- C246 H227.184 I24 N48 O24.272 Zn12 -","2","1","","Hoshino, Manabu; Khutia, Anupam; Xing, Hongzhu; Inokuma, Yasuhide; Fujita, Makoto","The crystalline sponge method updated","IUCrJ","2016","3","2","139","151","10.1107/S2052252515024379","","x-ray","1.54184","CuKα","","0.0983","0.053","","","0.1189","0.1308","","","","","","0.866","","","","has coordinates,has disorder","195748","2020-10-21","18:00:00",""
"1545869","14.8303","0.0005","17.913","0.0008","29.8943","0.0008","96.803","0.003","93.488","0.003","110.229","0.004","7355","0.5","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C123 H112.85 I11.99 N24 O12.39 Zn5.99 -","- C123 H112.848 I11.99 N24 O12.384 Zn5.995 -","- C246 H225.696 I23.98 N48 O24.768 Zn11.99 -","2","1","","Hoshino, Manabu; Khutia, Anupam; Xing, Hongzhu; Inokuma, Yasuhide; Fujita, Makoto","The crystalline sponge method updated","IUCrJ","2016","3","2","139","151","10.1107/S2052252515024379","","x-ray","1.54184","CuKα","","0.098","0.0546","","","0.1247","0.1379","","","","","","0.866","","","","has coordinates,has disorder","195748","2020-10-21","18:00:00",""
"1545870","35.8691","0.0014","14.8864","0.0003","31.2823","0.0009","90","","102.711","0.004","90","","16294.2","0.9","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C71.25 H57.96 Br1.92 I6 N12 Zn3 -","- C71.25 H57.963 Br1.923 I6 N12 Zn3 -","- C570 H463.704 Br15.384 I48 N96 Zn24 -","8","1","","Hoshino, Manabu; Khutia, Anupam; Xing, Hongzhu; Inokuma, Yasuhide; Fujita, Makoto","The crystalline sponge method updated","IUCrJ","2016","3","2","139","151","10.1107/S2052252515024379","","x-ray","1.54184","CuKα","","0.0915","0.0752","","","0.2182","0.2359","","","","","","1.038","","","","has coordinates,has disorder","195748","2020-10-21","18:00:00",""
"1545871","34.0465","0.0014","14.9235","0.0004","30.8377","0.0013","90","","100.629","0.004","90","","15399.6","1","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C60.92 H58.15 I6 N12 O5.89 Zn3 -","- C60.922 H58.156 I6 N12 O5.883 Zn3 -","- C487.376 H465.248 I48 N96 O47.064 Zn24 -","8","1","","Hoshino, Manabu; Khutia, Anupam; Xing, Hongzhu; Inokuma, Yasuhide; Fujita, Makoto","The crystalline sponge method updated","IUCrJ","2016","3","2","139","151","10.1107/S2052252515024379","","x-ray","1.54184","CuKα","","0.1046","0.0733","","","0.2113","0.2397","","","","","","1.038","","","","has coordinates,has disorder","195748","2020-10-21","18:00:00",""
"1547267","8.3512","0.0009","12.56","0.0013","15.3638","0.0016","90","","90","","90","","1611.5","0.3","180.01","0.1","180.01","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C20 H19 N3 O -","- C20 H19 N3 O -","- C80 H76 N12 O4 -","4","1","","Peng Lei; Xuebo Zhang; Yan Xu; Gaofei Xu; Xili Liu; Xinling Yang; Xiaohe Zhang; Yun Ling","Synthesis and fungicidal activity of pyrazole derivatives containing 1,2,3,4-tetrahydroquinoline","Chemistry Central Journal","2016","10","","40","","10.1186/s13065-016-0186-8","","","0.7107","MoKα","","0.046","0.0369","","","0.0809","0.0852","","","","","","1.033","","","","has coordinates","201099","2020-10-21","18:00:00",""
"1547268","9.0486","0.0004","9.1081","0.0005","11.7993","0.0006","68.513","0.005","80.348","0.004","64.771","0.005","818.47","0.08","123","","123","","","","","","","","","4","P -1","-P 1","2","","","","- C20 H18 N4 S -","- C20 H18 N4 S -","- C40 H36 N8 S2 -","2","1","","Ahmed T. A. Boraei; El Sayed H. El Ashry; Axel Duerkop","Regioselectivity of the alkylation of S-substituted 1,2,4-triazoles with dihaloalkanes","Chemistry Central Journal","2016","10","","22","","10.1186/s13065-016-0165-0","","","1.54184","CuKα","","0.034","0.032","","","0.0822","0.084","","","","","","1.046","","","","has coordinates","201100","2020-10-21","18:00:00",""
"1547269","14.839","0.0002","11.3364","0.0001","17.8545","0.0002","90","","102.292","0.001","90","","2934.64","0.06","123","","123","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C35 H28 N8 S2 -","- C35 H28 N8 S2 -","- C140 H112 N32 S8 -","4","1","","Ahmed T. A. Boraei; El Sayed H. El Ashry; Axel Duerkop","Regioselectivity of the alkylation of S-substituted 1,2,4-triazoles with dihaloalkanes","Chemistry Central Journal","2016","10","","22","","10.1186/s13065-016-0165-0","","","1.54184","CuKα","","0.0428","0.0388","","","0.1015","0.1058","","","","","","1.049","","","","has coordinates","201101","2020-10-21","18:00:00",""
"1547270","32.9005","0.0005","8.0484","0.00012","11.51861","0.00019","90","","106.019","0.0017","90","","2931.65","0.08","123","","123","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C35 H28 N8 S2 -","- C35 H28 N8 S2 -","- C140 H112 N32 S8 -","4","0.5","","Ahmed T. A. Boraei; El Sayed H. El Ashry; Axel Duerkop","Regioselectivity of the alkylation of S-substituted 1,2,4-triazoles with dihaloalkanes","Chemistry Central Journal","2016","10","","22","","10.1186/s13065-016-0165-0","","","0.71069","MoKα","","0.0328","0.0317","","","0.0841","0.0852","","","","","","1.033","","","","has coordinates","201102","2020-10-21","18:00:00",""
"1547271","9.13384","0.00013","21.768","0.0003","9.47711","0.00013","90","","93.8246","0.0013","90","","1880.09","0.05","123","","123.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H19 Br N4 S -","- C20 H19 Br N4 S -","- C80 H76 Br4 N16 S4 -","4","1","","Ahmed T. A. Boraei; El Sayed H. El Ashry; Axel Duerkop","Regioselectivity of the alkylation of S-substituted 1,2,4-triazoles with dihaloalkanes","Chemistry Central Journal","2016","10","","22","","10.1186/s13065-016-0165-0","","","1.54184","CuKα","","0.0356","0.0293","","","0.0776","0.0802","","","","","","1.072","","","","has coordinates","201103","2020-10-21","18:00:00",""
"1547272","8.3072","0.0011","13.5441","0.0019","17.41","0.002","90","","92.275","0.012","90","","1957.3","0.4","296","2","296","2","","","","","","","","4","P 1 21/a 1","-P 2yab","14","2-(10-Hexyl-10H-phenothiazin-3-ylmethylene)-malononitrile","2-(10-Hexyl-10H-phenothiazin-3-ylmethylene)-malononitrile","","- C22 H21 N3 S -","- C22 H21 N3 S -","- C88 H84 N12 S4 -","4","1","","Fatimah Ali Al-Zahrani; Muhammad Nadeem Arshad; Abdullah M. Asiri; Tariq Mahmood; Mazhar Amjad Gilani; Reda M. El-shishtawy","Synthesis and structural properties of 2-((10-alkyl-10H-phenothiazin-3-yl)methylene)malononitrile derivatives; a combined experimental and theoretical insight","Chemistry Central Journal","2016","10","","13","","10.1186/s13065-016-0158-z","","","0.71073","MoKα","","0.2559","0.0659","","","0.1162","0.1809","","","","","","0.837","","","","has coordinates","201104","2020-10-21","18:00:00",""
"1547273","16.4823","0.0007","16.9423","0.0008","17.6368","0.0007","106.027","0.004","110.499","0.004","96.744","0.004","4306.6","0.4","296","2","296","2","","","","","","","","4","P -1","-P 1","2","2-(10-Octyl-10<i>H</i>-phenothiazin-3-ylmethylene)-malononitrile","2-(10-Octyl-10<i>H</i>-phenothiazin-3-ylmethylene)-malononitrile","","- C24 H25 N3 S -","- C24 H25 N3 S -","- C192 H200 N24 S8 -","8","4","","Fatimah Ali Al-Zahrani; Muhammad Nadeem Arshad; Abdullah M. Asiri; Tariq Mahmood; Mazhar Amjad Gilani; Reda M. El-shishtawy","Synthesis and structural properties of 2-((10-alkyl-10H-phenothiazin-3-yl)methylene)malononitrile derivatives; a combined experimental and theoretical insight","Chemistry Central Journal","2016","10","","13","","10.1186/s13065-016-0158-z","","","0.71073","MoKα","","0.2263","0.0752","","","0.1474","0.2185","","","","","","1.013","","","","has coordinates","211409","2020-10-21","18:00:00",""
"1547276","9.696","0.002","2.8947","0.0006","11.428","0.003","90","","101.69","0.02","90","","314.1","0.13","","","293","","","","","","","","","2","C 1 2/m 1","-C 2y","12","","","","- Fe7 O9 -","- Fe7 O9 -","- Fe14 O18 -","2","0.25","","Ryosuke Sinmyo; Elena Bykova; Sergey V. Ovsyannikov; Catherine McCammon; Ilya Kupenko; Leyla Ismailova; Leonid Dubrovinsky","Discovery of Fe7O9: a new iron oxide with a complex monoclinic structure","Scientific Reports","2016","6","","32852","","10.1038/srep32852","","x-ray","0.71069","MoKα","","0.0345","0.0339","","","0.0898","0.0907","","","","","","1.187","","","","has coordinates","201108","2020-10-21","18:00:00",""
"1547277","9.6901","0.0012","2.8943","0.0005","11.4397","0.0014","90","","102.045","0.014","90","","313.77","0.08","","","293","","","","","","","","","3","C 1 2/m 1","-C 2y","12","","","","- Fe5.94 Mg1.06 O9 -","- Fe5.94 Mg1.064 O9 -","- Fe11.88 Mg2.128 O18 -","2","0.25","","Ryosuke Sinmyo; Elena Bykova; Sergey V. Ovsyannikov; Catherine McCammon; Ilya Kupenko; Leyla Ismailova; Leonid Dubrovinsky","Discovery of Fe7O9: a new iron oxide with a complex monoclinic structure","Scientific Reports","2016","6","","32852","","10.1038/srep32852","","x-ray","0.71069","MoKα","","0.0508","0.0427","","","0.1178","0.1229","","","","","","1.194","","","","has coordinates","201109","2020-10-21","18:00:00",""
"1547743","13.642","0.0011","11.1624","0.0009","21.3653","0.0016","90","","95.271","0.002","90","","3239.7","0.4","153","2","153","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C30 H18 N4 Ni -","- C30 H18 N4 Ni -","- C180 H108 N24 Ni6 -","6","1.5","","Ryo Nozawa; Hiroko Tanaka; Won-Young Cha; Yongseok Hong; Ichiro Hisaki; Soji Shimizu; Ji-Young Shin; Tim Kowalczyk; Stephan Irle; Dongho Kim; Hiroshi Shinokubo","Stacked antiaromatic porphyrins","Nature Communications","2016","7","","13620","","10.1038/ncomms13620","","","0.71073","MoKα","","0.0675","0.0508","","","0.1289","0.1386","","","","","","1.034","","","","has coordinates","215051","2020-10-21","18:00:00",""
"1547744","24.768","0.0002","13.8476","0.0001","33.0065","0.0003","90","","99.5763","0.0004","90","","11162.7","0.16","93","","93","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C66 H42 Cl6 N8 Ni2 S2 -","- C66 H42 Cl6 N8 Ni2 S2 -","- C528 H336 Cl48 N64 Ni16 S16 -","8","1","","Ryo Nozawa; Hiroko Tanaka; Won-Young Cha; Yongseok Hong; Ichiro Hisaki; Soji Shimizu; Ji-Young Shin; Tim Kowalczyk; Stephan Irle; Dongho Kim; Hiroshi Shinokubo","Stacked antiaromatic porphyrins","Nature Communications","2016","7","","13620","","10.1038/ncomms13620","","","0.8","synchrotron","","0.0748","0.0719","","","0.2003","0.2032","","","","","","1.067","","","","has coordinates,has disorder","202173","2020-10-21","18:00:00",""
"1547745","10.3437","0.0012","11.1763","0.0015","19.446","0.002","87.24","0.004","79.489","0.005","88.855","0.004","2207.6","0.5","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C43 H54 F6 Fe N O8 P -","- C43 H54 F6 Fe N O8 P -","- C86 H108 F12 Fe2 N2 O16 P2 -","2","1","","Kai-Jen Chen; Ya-Ching Tsai; Yuji Suzaki; Kohtaro Osakada; Atsushi Miura; Masaki Horie","Rapid and reversible photoinduced switching of a rotaxane crystal","Nature Communications","2016","7","","13321","","10.1038/ncomms13321","","","0.71073","MoKα","","0.1222","0.0597","","","0.1632","0.2144","","","","","","0.985","","","","has coordinates","202174","2020-10-21","18:00:00",""
"1547746","10.343","0.0006","11.1816","0.0008","19.4313","0.0013","87.281","0.002","79.707","0.002","88.818","0.002","2208.4","0.3","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C43 H54 F6 Fe N O8 P -","- C43 H54 F6 Fe N O8 P -","- C86 H108 F12 Fe2 N2 O16 P2 -","2","1","","Kai-Jen Chen; Ya-Ching Tsai; Yuji Suzaki; Kohtaro Osakada; Atsushi Miura; Masaki Horie","Rapid and reversible photoinduced switching of a rotaxane crystal","Nature Communications","2016","7","","13321","","10.1038/ncomms13321","","","0.71073","MoKα","","0.1274","0.0625","","","0.1724","0.224","","","","","","0.994","","","","has coordinates","202175","2020-10-21","18:00:00",""
"1547747","10.3504","0.0007","11.1958","0.0009","19.4394","0.0014","87.289","0.003","79.822","0.003","88.798","0.002","2214.5","0.3","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C43 H54 F6 Fe N O8 P -","- C43 H54 F6 Fe N O8 P -","- C86 H108 F12 Fe2 N2 O16 P2 -","2","1","","Kai-Jen Chen; Ya-Ching Tsai; Yuji Suzaki; Kohtaro Osakada; Atsushi Miura; Masaki Horie","Rapid and reversible photoinduced switching of a rotaxane crystal","Nature Communications","2016","7","","13321","","10.1038/ncomms13321","","","0.71073","MoKα","","0.1344","0.0658","","","0.1863","0.2398","","","","","","0.986","","","","has coordinates","202176","2020-10-21","18:00:00",""
"1547748","10.3258","0.0004","11.1596","0.0004","19.3998","0.0008","87.2796","0.001","79.5728","0.0009","88.8537","0.001","2195.93","0.15","303","2","303","2","","","","","","","","7","P -1","-P 1","2","","","","- C43 H54 F6 Fe N O8 P -","- C43 H54 F6 Fe N O8 P -","- C86 H108 F12 Fe2 N2 O16 P2 -","2","1","","Kai-Jen Chen; Ya-Ching Tsai; Yuji Suzaki; Kohtaro Osakada; Atsushi Miura; Masaki Horie","Rapid and reversible photoinduced switching of a rotaxane crystal","Nature Communications","2016","7","","13321","","10.1038/ncomms13321","","","0.71073","MoKα","","0.0708","0.0517","","","0.1334","0.1486","","","","","","1.04","","","","has coordinates","202177","2020-10-21","18:00:00",""
"1547749","10.3579","0.0009","11.21","0.0012","19.4479","0.0018","87.293","0.003","79.94","0.004","88.772","0.003","2220.7","0.4","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C43 H54 F6 Fe N O8 P -","- C43 H54 F6 Fe N O8 P -","- C86 H108 F12 Fe2 N2 O16 P2 -","2","1","","Kai-Jen Chen; Ya-Ching Tsai; Yuji Suzaki; Kohtaro Osakada; Atsushi Miura; Masaki Horie","Rapid and reversible photoinduced switching of a rotaxane crystal","Nature Communications","2016","7","","13321","","10.1038/ncomms13321","","","0.71073","MoKα","","0.1369","0.0646","","","0.1792","0.2375","","","","","","0.982","","","","has coordinates","202178","2020-10-21","18:00:00",""
"1547750","10.3393","0.0004","11.1764","0.0004","19.3966","0.0008","87.3043","0.001","79.8391","0.0009","88.8264","0.0009","2203.63","0.15","318","2","318","2","","","","","","","","7","P -1","-P 1","2","","","","- C43 H54 F6 Fe N O8 P -","- C43 H54 F6 Fe N O8 P -","- C86 H108 F12 Fe2 N2 O16 P2 -","2","1","","Kai-Jen Chen; Ya-Ching Tsai; Yuji Suzaki; Kohtaro Osakada; Atsushi Miura; Masaki Horie","Rapid and reversible photoinduced switching of a rotaxane crystal","Nature Communications","2016","7","","13321","","10.1038/ncomms13321","","","0.71073","MoKα","","0.0739","0.0527","","","0.1381","0.155","","","","","","1.042","","","","has coordinates","202179","2020-10-21","18:00:00",""
"1547751","10.3662","0.0012","11.2263","0.0015","19.458","0.002","87.294","0.004","80.055","0.005","88.745","0.004","2227.7","0.5","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C43 H54 F6 Fe N O8 P -","- C43 H54 F6 Fe N O8 P -","- C86 H108 F12 Fe2 N2 O16 P2 -","2","1","","Kai-Jen Chen; Ya-Ching Tsai; Yuji Suzaki; Kohtaro Osakada; Atsushi Miura; Masaki Horie","Rapid and reversible photoinduced switching of a rotaxane crystal","Nature Communications","2016","7","","13321","","10.1038/ncomms13321","","","0.71073","MoKα","","0.1418","0.0661","","","0.1848","0.2432","","","","","","0.968","","","","has coordinates","202180","2020-10-21","18:00:00",""
"1547752","10.3758","0.0015","11.2462","0.0019","19.467","0.003","87.299","0.006","80.198","0.006","88.715","0.005","2235.7","0.6","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C43 H54 F6 Fe N O8 P -","- C43 H54 F6 Fe N O8 P -","- C86 H108 F12 Fe2 N2 O16 P2 -","2","1","","Kai-Jen Chen; Ya-Ching Tsai; Yuji Suzaki; Kohtaro Osakada; Atsushi Miura; Masaki Horie","Rapid and reversible photoinduced switching of a rotaxane crystal","Nature Communications","2016","7","","13321","","10.1038/ncomms13321","","","0.71073","MoKα","","0.1445","0.0653","","","0.1765","0.2374","","","","","","0.964","","","","has coordinates","202181","2020-10-21","18:00:00",""
"1547753","10.3528","0.0005","11.195","0.0005","19.3916","0.0008","87.3094","0.001","80.1334","0.0009","88.7511","0.001","2211.58","0.17","333","2","333","2","","","","","","","","7","P -1","-P 1","2","","","","- C43 H54 F6 Fe N O8 P -","- C43 H54 F6 Fe N O8 P -","- C86 H108 F12 Fe2 N2 O16 P2 -","2","1","","Kai-Jen Chen; Ya-Ching Tsai; Yuji Suzaki; Kohtaro Osakada; Atsushi Miura; Masaki Horie","Rapid and reversible photoinduced switching of a rotaxane crystal","Nature Communications","2016","7","","13321","","10.1038/ncomms13321","","","0.71073","MoKα","","0.0777","0.054","","","0.1407","0.1583","","","","","","1.041","","","","has coordinates","202182","2020-10-21","18:00:00",""
"1547754","10.3815","0.0018","11.262","0.002","19.473","0.004","87.298","0.007","80.314","0.007","88.684","0.006","2241.5","0.7","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C43 H54 F6 Fe N O8 P -","- C43 H54 F6 Fe N O8 P -","- C86 H108 F12 Fe2 N2 O16 P2 -","2","1","","Kai-Jen Chen; Ya-Ching Tsai; Yuji Suzaki; Kohtaro Osakada; Atsushi Miura; Masaki Horie","Rapid and reversible photoinduced switching of a rotaxane crystal","Nature Communications","2016","7","","13321","","10.1038/ncomms13321","","","0.71073","MoKα","","0.1453","0.0648","","","0.18","0.2456","","","","","","0.958","","","","has coordinates","202183","2020-10-21","18:00:00",""
"1547755","10.3843","0.0006","11.2809","0.0006","19.3678","0.0011","87.3201","0.0013","81.11","0.0012","88.5831","0.0013","2238.8","0.2","378","2","378","2","","","","","","","","7","P -1","-P 1","2","","","","- C43 H54 F6 Fe N O8 P -","- C43 H54 F6 Fe N O8 P -","- C86 H108 F12 Fe2 N2 O16 P2 -","2","1","","Kai-Jen Chen; Ya-Ching Tsai; Yuji Suzaki; Kohtaro Osakada; Atsushi Miura; Masaki Horie","Rapid and reversible photoinduced switching of a rotaxane crystal","Nature Communications","2016","7","","13321","","10.1038/ncomms13321","","","0.71073","MoKα","","0.0948","0.0585","","","0.1536","0.1804","","","","","","1.025","","","","has coordinates","202184","2020-10-21","18:00:00",""
"1547756","10.391","0.002","11.288","0.003","19.483","0.004","87.29","0.008","80.485","0.009","88.65","0.008","2251","0.9","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C43 H54 F6 Fe N O8 P -","- C43 H54 F6 Fe N O8 P -","- C86 H108 F12 Fe2 N2 O16 P2 -","2","1","","Kai-Jen Chen; Ya-Ching Tsai; Yuji Suzaki; Kohtaro Osakada; Atsushi Miura; Masaki Horie","Rapid and reversible photoinduced switching of a rotaxane crystal","Nature Communications","2016","7","","13321","","10.1038/ncomms13321","","","0.71073","MoKα","","0.1561","0.0658","","","0.1825","0.2536","","","","","","0.945","","","","has coordinates","202185","2020-10-21","18:00:00",""
"1547757","10.3641","0.0005","11.2179","0.0005","19.3874","0.0008","87.325","0.001","80.4216","0.0009","88.7095","0.001","2219.95","0.17","348","2","348","2","","","","","","","","7","P -1","-P 1","2","","","","- C43 H54 F6 Fe N O8 P -","- C43 H54 F6 Fe N O8 P -","- C86 H108 F12 Fe2 N2 O16 P2 -","2","1","","Kai-Jen Chen; Ya-Ching Tsai; Yuji Suzaki; Kohtaro Osakada; Atsushi Miura; Masaki Horie","Rapid and reversible photoinduced switching of a rotaxane crystal","Nature Communications","2016","7","","13321","","10.1038/ncomms13321","","","0.71073","MoKα","","0.0825","0.0558","","","0.1447","0.1642","","","","","","1.045","","","","has coordinates","202186","2020-10-21","18:00:00",""
"1547758","10.3728","0.0006","11.2401","0.0006","19.3827","0.001","87.3342","0.0013","80.6721","0.0012","88.6789","0.0012","2227.3","0.2","360","2","360","2","","","","","","","","7","P -1","-P 1","2","","","","- C43 H54 F6 Fe N O8 P -","- C43 H54 F6 Fe N O8 P -","- C86 H108 F12 Fe2 N2 O16 P2 -","2","1","","Kai-Jen Chen; Ya-Ching Tsai; Yuji Suzaki; Kohtaro Osakada; Atsushi Miura; Masaki Horie","Rapid and reversible photoinduced switching of a rotaxane crystal","Nature Communications","2016","7","","13321","","10.1038/ncomms13321","","","0.71073","MoKα","","0.0883","0.0565","","","0.1511","0.1748","","","","","","1.047","","","","has coordinates","202187","2020-10-21","18:00:00",""
"1547817","6.68","","6.881","","6.118","","90","","92.33","","90","","280.982","","","","","","","","","","","","Synthetic","3","P 1 21/n 1","-P 2yn","14","","","","- Cr O4 Sr -","- Cr O4 Sr -","- Cr4 O16 Sr4 -","4","1","","Gleissner, J.; Errandonea, D.","Monazite-type SrCrO4 under compression","Phys. Rev B","2016","94","","134108","134108","","powder diffraction","","","","","","","","","","","","","","","","","","","","has coordinates","202407","2020-10-21","18:00:00",""
"1547818","4.97","","4.97","","11.844","","90","","90","","90","","292.557","","","","","","","","","","","","Synthetic","3","I 41/a :2","-I 4ad","88","","","","- Cr O4 Sr -","- Cr O4 Sr -","- Cr4 O16 Sr4 -","4","0.25","","Gleissner, J.; Errandonea, D.","Monazite-type SrCrO4 under compression","Phys. Rev B","2016","94","","134108","134108","","powder diffraction","","","","","","","","","","","","","","","","","","","","has coordinates","202408","2020-10-21","18:00:00",""
"1547819","7.065","","7.376","","6.741","","90","","103.1","","90","","342.141","","","","","","","","","","","","Synthetic","3","P 1 21/n 1","-P 2yn","14","","","","- Cr O4 Sr -","- Cr O4 Sr -","- Cr4 O16 Sr4 -","4","1","","Gleissner, J.; Errandonea, D.","Monazite-type SrCrO4 under compression","Phys. Rev B","2016","94","","134108","134108","","powder diffraction","","","","","","","","","","","","","","","","","","","","has coordinates","202409","2020-10-21","18:00:00",""
"1547967","16.2122","0.0003","16.2122","0.0003","16.0642","0.0007","90","","90","","120","","3656.57","0.19","296","2","296","2","","","","","","","","5","P 63/m m c","-P 6c 2c","194","","","","- C26 H27 Mg3 N O22 -","- C24 H6 Mg3 O22 -","- C48 H12 Mg6 O44 -","2","0.0833333","","Quan-Guo Zhai; Xianhui Bu; Chengyu Mao; Xiang Zhao; Luke Daemen; Yongqiang Cheng; Anibal J. Ramirez-Cuesta; Pingyun Feng","An ultra-tunable platform for molecular engineering of high-performance crystalline porous materials","Nature Communications","2016","7","","13645","","10.1038/ncomms13645","","","0.71073","MoKα","","0.075","0.0571","","","0.1693","0.1767","","","","","","1.067","","","","has coordinates","288476","2023-12-21","15:26:10",""
"1547968","16.997","0.0004","16.997","0.0004","14.9864","0.0009","90","","90","","120","","3749.5","0.3","296","2","296","2","","","","","","","","5","P 63/m m c","-P 6c 2c","194","","","","- C44 H36 Mg3 N10 O13 -","- C42 H18 Mg3 N9 O13 -","- C84 H36 Mg6 N18 O26 -","2","0.0833333","","Quan-Guo Zhai; Xianhui Bu; Chengyu Mao; Xiang Zhao; Luke Daemen; Yongqiang Cheng; Anibal J. Ramirez-Cuesta; Pingyun Feng","An ultra-tunable platform for molecular engineering of high-performance crystalline porous materials","Nature Communications","2016","7","","13645","","10.1038/ncomms13645","","","0.71073","MoKα","","0.0754","0.067","","","0.2027","0.2102","","","","","","1.091","","","","has coordinates","288476","2023-12-21","15:26:11",""
"1547969","17.4162","0.0004","17.4162","0.0004","14.9154","0.0007","90","","90","","120","","3918.1","0.2","296","2","296","2","","","","","","","","5","P 63/m m c","-P 6c 2c","194","","","","- C42 H25 Mn3 N6 O13 -","- C42 H24 Mn3 N6 O13 -","- C84 H48 Mn6 N12 O26 -","2","0.0833333","","Quan-Guo Zhai; Xianhui Bu; Chengyu Mao; Xiang Zhao; Luke Daemen; Yongqiang Cheng; Anibal J. Ramirez-Cuesta; Pingyun Feng","An ultra-tunable platform for molecular engineering of high-performance crystalline porous materials","Nature Communications","2016","7","","13645","","10.1038/ncomms13645","","","0.71073","MoKα","","0.0423","0.0345","","","0.1005","0.1034","","","","","","1.027","","","","has coordinates","288476","2023-12-21","15:26:11",""
"1547970","17.0539","0.0004","17.0539","0.0004","14.9837","0.0007","90","","90","","120","","3774","0.2","296","2","296","2","","","","","","","","5","P 63/m m c","-P 6c 2c","194","","","","- C42 H28 Co3 N9 O13 -","- C42 H18 Co3 N9 O13 -","- C84 H36 Co6 N18 O26 -","2","0.0833333","","Quan-Guo Zhai; Xianhui Bu; Chengyu Mao; Xiang Zhao; Luke Daemen; Yongqiang Cheng; Anibal J. Ramirez-Cuesta; Pingyun Feng","An ultra-tunable platform for molecular engineering of high-performance crystalline porous materials","Nature Communications","2016","7","","13645","","10.1038/ncomms13645","","","0.71073","MoKα","","0.0572","0.05","","","0.1668","0.1719","","","","","","1.004","","","","has coordinates","203059","2020-10-21","18:00:00",""
"1547971","17.0539","0.0004","17.0539","0.0004","14.9837","0.0007","90","","90","","120","","3774","0.2","296","2","296","2","","","","","","","","5","P 63/m m c","-P 6c 2c","194","","","","- C42 H28 N9 O13 Zn3 -","- C42 H18 N9 O13 Zn3 -","- C84 H36 N18 O26 Zn6 -","2","0.0833333","","Quan-Guo Zhai; Xianhui Bu; Chengyu Mao; Xiang Zhao; Luke Daemen; Yongqiang Cheng; Anibal J. Ramirez-Cuesta; Pingyun Feng","An ultra-tunable platform for molecular engineering of high-performance crystalline porous materials","Nature Communications","2016","7","","13645","","10.1038/ncomms13645","","","0.71073","MoKα","","0.0585","0.0501","","","0.1545","0.1611","","","","","","0.98","","","","has coordinates","203060","2020-10-21","18:00:00",""
"1547972","15.9423","0.0003","15.9423","0.0003","16.0411","0.0007","90","","90","","120","","3530.75","0.18","296","2","296","2","","","","","","","","5","P 63/m m c","-P 6c 2c","194","","","","- C24 H19 Mg2 O22 V -","- C24 H6 Mg2.0001 O22 V0.9999 -","- C48 H12 Mg4.0002 O44 V1.9998 -","2","0.0833333","","Quan-Guo Zhai; Xianhui Bu; Chengyu Mao; Xiang Zhao; Luke Daemen; Yongqiang Cheng; Anibal J. Ramirez-Cuesta; Pingyun Feng","An ultra-tunable platform for molecular engineering of high-performance crystalline porous materials","Nature Communications","2016","7","","13645","","10.1038/ncomms13645","","","0.71073","MoKα","","0.0743","0.0616","","","0.1823","0.1951","","","","","","1.072","","","","has coordinates","288476","2023-12-21","15:26:11",""
"1547973","16.6165","0.001","16.6165","0.001","15.3366","0.0019","90","","90","","120","","3667.2","0.6","296","2","296","2","","","","","","","","6","P 63/m m c","-P 6c 2c","194","","","","- C42 H25 Mg2 N6 O19 V -","- C42 H18 Mg2.0001 N6 O19 V0.9999 -","- C84 H36 Mg4.0002 N12 O38 V1.9998 -","2","0.0833333","","Quan-Guo Zhai; Xianhui Bu; Chengyu Mao; Xiang Zhao; Luke Daemen; Yongqiang Cheng; Anibal J. Ramirez-Cuesta; Pingyun Feng","An ultra-tunable platform for molecular engineering of high-performance crystalline porous materials","Nature Communications","2016","7","","13645","","10.1038/ncomms13645","","","0.71073","MoKα","","0.1229","0.1016","","","0.3266","0.3425","","","","","","1.358","","","","has coordinates","288476","2023-12-21","15:26:11",""
"1547974","16.9065","0.0005","16.9065","0.0005","14.7154","0.001","90","","90","","120","","3642.6","0.3","296","2","296","2","","","","","","","","6","P 63/m m c","-P 6c 2c","194","","","","- C42 H22 Mg2 N9 O19 V -","- C42 H12 Mg2.0001 N9 O19 V0.9999 -","- C84 H24 Mg4.0002 N18 O38 V1.9998 -","2","0.0833333","","Quan-Guo Zhai; Xianhui Bu; Chengyu Mao; Xiang Zhao; Luke Daemen; Yongqiang Cheng; Anibal J. Ramirez-Cuesta; Pingyun Feng","An ultra-tunable platform for molecular engineering of high-performance crystalline porous materials","Nature Communications","2016","7","","13645","","10.1038/ncomms13645","","","0.71073","MoKα","","0.1145","0.0942","","","0.2657","0.2816","","","","","","1.03","","","","has coordinates","288476","2023-12-21","15:26:11",""
"1547975","16.8599","0.0012","16.8599","0.0012","14.882","0.003","90","","90","","120","","3663.5","0.8","200","2","200","2","","","","","","","","6","P 63/m m c","-P 6c 2c","194","","","","- C54 H31 Mg2 N6 O13 V -","- C54 H12 Mg2.0001 N6 O13 V0.9999 -","- C108 H24 Mg4.0002 N12 O26 V1.9998 -","2","0.0833333","","Quan-Guo Zhai; Xianhui Bu; Chengyu Mao; Xiang Zhao; Luke Daemen; Yongqiang Cheng; Anibal J. Ramirez-Cuesta; Pingyun Feng","An ultra-tunable platform for molecular engineering of high-performance crystalline porous materials","Nature Communications","2016","7","","13645","","10.1038/ncomms13645","","","0.71073","MoKα","","0.1364","0.1244","","","0.3459","0.3663","","","","","","1.019","","","","has coordinates,has disorder","288476","2023-12-21","15:26:11",""
"1547976","16.7913","0.0002","16.7913","0.0002","20.6558","0.0005","90","","90","","120","","5043.61","0.15","200","2","200","2","","","","","","","","6","P 63/m m c","-P 6c 2c","194","","","","- C54 H31 Mg2 N6 O13 V -","- C57 H30 Mg2.0001 N6 O13 V0.9999 -","- C114 H60 Mg4.0002 N12 O26 V1.9998 -","2","0.0833333","","Quan-Guo Zhai; Xianhui Bu; Chengyu Mao; Xiang Zhao; Luke Daemen; Yongqiang Cheng; Anibal J. Ramirez-Cuesta; Pingyun Feng","An ultra-tunable platform for molecular engineering of high-performance crystalline porous materials","Nature Communications","2016","7","","13645","","10.1038/ncomms13645","","","0.71073","MoKα","","0.1207","0.0807","","","0.226","0.2473","","","","","","1.018","","","","has coordinates","288476","2023-12-21","15:26:11",""
"1547977","16.9671","0.0005","16.9671","0.0005","15.3079","0.001","90","","90","","120","","3816.5","0.3","296","2","296","2","","","","","","","","5","P 63/m m c","-P 6c 2c","194","","","","- C44 H33 Mg3 N7 O19 -","- C42 H18 Mg3 N6 O19 -","- C84 H36 Mg6 N12 O38 -","2","0.0833333","","Quan-Guo Zhai; Xianhui Bu; Chengyu Mao; Xiang Zhao; Luke Daemen; Yongqiang Cheng; Anibal J. Ramirez-Cuesta; Pingyun Feng","An ultra-tunable platform for molecular engineering of high-performance crystalline porous materials","Nature Communications","2016","7","","13645","","10.1038/ncomms13645","","","0.71073","MoKα","","0.0581","0.0431","","","0.1076","0.1126","","","","","","1.033","","","","has coordinates","288476","2023-12-21","15:26:11",""
"1547978","16.9886","0.0016","16.9886","0.0016","15.108","0.003","90","","90","","120","","3776.2","0.9","296","2","296","2","","","","","","","","5","P 63/m m c","-P 6c 2c","194","","","","- C44 H33 Mg3 N7 O16 -","- C42 H15 Mg3 N6 O16 -","- C84 H30 Mg6 N12 O32 -","2","0.0833333","","Quan-Guo Zhai; Xianhui Bu; Chengyu Mao; Xiang Zhao; Luke Daemen; Yongqiang Cheng; Anibal J. Ramirez-Cuesta; Pingyun Feng","An ultra-tunable platform for molecular engineering of high-performance crystalline porous materials","Nature Communications","2016","7","","13645","","10.1038/ncomms13645","","","0.71073","MoKα","","0.0722","0.0512","","","0.1381","0.1462","","","","","","1.053","","","","has coordinates","288476","2023-12-21","15:26:11",""
"1547979","17.0231","0.0011","17.0231","0.0011","14.947","0.003","90","","90","","120","","3751.1","0.8","296","2","296","2","","","","","","","","5","P 63/m m c","-P 6c 2c","194","","","","- C44 H33 Mg3 N7 O13 -","- C42 H24 Mg3 N6 O13 -","- C84 H48 Mg6 N12 O26 -","2","0.0833333","","Quan-Guo Zhai; Xianhui Bu; Chengyu Mao; Xiang Zhao; Luke Daemen; Yongqiang Cheng; Anibal J. Ramirez-Cuesta; Pingyun Feng","An ultra-tunable platform for molecular engineering of high-performance crystalline porous materials","Nature Communications","2016","7","","13645","","10.1038/ncomms13645","","","0.71073","MoKα","","0.075","0.0487","","","0.1235","0.132","","","","","","1.005","","","","has coordinates","288476","2023-12-21","15:26:11",""
"1547980","25.9071","0.0008","9.1614","0.0003","16.4713","0.0004","90","","100.956","0.001","90","","3838.1","0.2","100","1","100","1","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C16 H20 N4 Ni O6 P2 -","- C16 H20 N4 Ni O6 P2 -","- C128 H160 N32 Ni8 O48 P16 -","8","1","","Victoria E. Campbell; Monica Tonelli; Irene Cimatti; Jean-Baptiste Moussy; Ludovic Tortech; Yannick J. Dappe; Eric Riviere; Regis Guillot; Sophie Delprat; Richard Mattana; Pierre Seneor; Philippe Ohresser; Fadi Choueikani; Edwige Otero; Florian Koprowiak; Vijay Gopal Chilkuri; Nicolas Suaud; Nathalie Guihery; Anouk Galtayries; Frederic Miserque; Marie-Anne Arrio; Philippe Sainctavit; Talal Mallah","Engineering the magnetic coupling and anisotropy at the molecule-magnetic surface interface in molecular spintronic devices","Nature Communications","2016","7","","13646","","10.1038/ncomms13646","","x-ray","0.71073","MoKα","","0.0728","0.054","","","0.1274","0.1401","","","","","","1.036","","","","has coordinates,has disorder","203069","2020-10-21","18:00:00",""
"1547981","26.378","0.0013","9.059","0.0004","16.5517","0.0007","90","","102.286","0.001","90","","3864.6","0.3","100","1","100","1","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C16 H20 Co N4 O6 P2 -","- C16 H20 Co N4 O6 P2 -","- C128 H160 Co8 N32 O48 P16 -","8","1","","Victoria E. Campbell; Monica Tonelli; Irene Cimatti; Jean-Baptiste Moussy; Ludovic Tortech; Yannick J. Dappe; Eric Riviere; Regis Guillot; Sophie Delprat; Richard Mattana; Pierre Seneor; Philippe Ohresser; Fadi Choueikani; Edwige Otero; Florian Koprowiak; Vijay Gopal Chilkuri; Nicolas Suaud; Nathalie Guihery; Anouk Galtayries; Frederic Miserque; Marie-Anne Arrio; Philippe Sainctavit; Talal Mallah","Engineering the magnetic coupling and anisotropy at the molecule-magnetic surface interface in molecular spintronic devices","Nature Communications","2016","7","","13646","","10.1038/ncomms13646","","x-ray","0.71073","MoKα","","0.0951","0.0524","","","0.1117","0.1299","","","","","","1.031","","","","has coordinates,has disorder","203070","2020-10-21","18:00:00",""
"1547982","16.43","0.03","10.012","0.015","44.3","0.09","90","","95.65","0.08","90","","7252","2","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C77 H59 N7 O4 -","- C75.5 H57.75 N7 O4 -","- C302 H231 N28 O16 -","4","2","","Georgios Charalambidis; Evangelos Georgilis; Manas K. Panda; Christopher E. Anson; Annie K. Powell; Stephen Doyle; David Moss; Tobias Jochum; Peter N. Horton; Simon J. Coles; Mathieu Linares; David Beljonne; Jean-Valere Naubron; Jonas Conradt; Heinz Kalt; Anna Mitraki; Athanassios G. Coutsolelos; Teodor Silviu Balaban","A switchable self-assembling and disassembling chiral system based on a porphyrin-substituted phenylalanine-phenylalanine motif","Nature Communications","2016","7","","12657","","10.1038/ncomms12657","","","0.6889","","","0.5577","0.3323","","","0.5374","0.6531","","","","","","1.586","","","","has coordinates,has disorder","203071","2020-10-21","18:00:00",""
"1547983","28.8117","0.0004","29.9302","0.0004","54.0382","0.0005","79.591","0.001","86.179","0.001","83.426","0.0012","45480.7","1","100","","100.01","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C664 H852 Ag136.45 Cl3 P S64 -","- C664 H852 Ag136.45 Cl3 P S64 -","- C1328 H1704 Ag272.9 Cl6 P2 S128 -","2","1","","Huayan Yang; Yu Wang; Xi Chen; Xiaojing Zhao; Lin Gu; Huaqi Huang; Juanzhu Yan; Chaofa Xu; Gang Li; Junchao Wu; Alison J. Edwards; Birger Dittrich; Zichao Tang; Dongdong Wang; Lauri Lehtovaara; Hannu Hakkinen; Nanfeng Zheng","Plasmonic twinned silver nanoparticles with molecular precision","Nature Communications","2016","7","","12809","","10.1038/ncomms12809","","","1.54184","CuKα","","0.0994","0.0836","","0.1006","0.0953","0.0916","","","","","","1.1318","","","","has coordinates,has disorder","203072","2020-10-21","18:00:00",""
"1547984","67.3343","0.0006","67.3343","0.0006","188.5858","0.0017","90","","90","","120","","740478","11","100","1","100","1","","","","","","","","6","R -3 c :H","-R 3 2""c","167","","","","- C1130 H1469 Ag374 Br2 Cl2 S113 -","- C1130 H1469 Ag380 Br2 Cl2 S113 -","- C20340 H26442 Ag6840 Br36 Cl36 S2034 -","18","0.5","","Huayan Yang; Yu Wang; Xi Chen; Xiaojing Zhao; Lin Gu; Huaqi Huang; Juanzhu Yan; Chaofa Xu; Gang Li; Junchao Wu; Alison J. Edwards; Birger Dittrich; Zichao Tang; Dongdong Wang; Lauri Lehtovaara; Hannu Hakkinen; Nanfeng Zheng","Plasmonic twinned silver nanoparticles with molecular precision","Nature Communications","2016","7","","12809","","10.1038/ncomms12809","","","1.54184","CuKα","","0.1307","0.0951","","","0.2846","0.3317","","","","","","1.329","","","","has coordinates,has disorder","203073","2020-10-21","18:00:00",""
"1547985","5.6324","0.0003","26.1594","0.0016","9.3139","0.0005","90","","105.68","0.0019","90","","1321.25","0.13","103","2","103","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C15 H15 N O2 S -","- C15 H15 N O2 S -","- C60 H60 N4 O8 S4 -","4","2","","Lili Zong; Chao Wang; Adhitya Mangala Putra Moeljadi; Xinyi Ye; Rakesh Ganguly; Yongxin Li; Hajime Hirao; Choon-Hong Tan","Bisguanidinium dinuclear oxodiperoxomolybdosulfate ion pair-catalyzed enantioselective sulfoxidation","Nature Communications","2016","7","","13455","","10.1038/ncomms13455","","","0.71073","MoKα","","0.0528","0.0446","","","0.0925","0.0968","","","","","","1.044","","","","has coordinates","203074","2020-10-21","18:00:00",""
"1547986","9.9398","0.0008","30.471","0.003","17.5604","0.0015","90","","97.837","0.003","90","","5268.9","0.8","103","2","103","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C104 H148 Mo2 N8 O17 S -","- C104 H148 Mo2 N8 O17 S -","- C208 H296 Mo4 N16 O34 S2 -","2","1","","Lili Zong; Chao Wang; Adhitya Mangala Putra Moeljadi; Xinyi Ye; Rakesh Ganguly; Yongxin Li; Hajime Hirao; Choon-Hong Tan","Bisguanidinium dinuclear oxodiperoxomolybdosulfate ion pair-catalyzed enantioselective sulfoxidation","Nature Communications","2016","7","","13455","","10.1038/ncomms13455","","","0.71073","MoKα","","0.1283","0.0715","","","0.136","0.1585","","","","","","1.008","","","","has coordinates,has disorder","203075","2020-10-21","18:00:00",""
"1547987","5.279","0.0005","11.5315","0.0008","23.4325","0.0019","90","","90","","90","","1426.4","0.2","103","2","103","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C13 H17 Cl O3 S -","- C13 H17 Cl O3 S -","- C52 H68 Cl4 O12 S4 -","4","1","","Lili Zong; Chao Wang; Adhitya Mangala Putra Moeljadi; Xinyi Ye; Rakesh Ganguly; Yongxin Li; Hajime Hirao; Choon-Hong Tan","Bisguanidinium dinuclear oxodiperoxomolybdosulfate ion pair-catalyzed enantioselective sulfoxidation","Nature Communications","2016","7","","13455","","10.1038/ncomms13455","","","0.71073","MoKα","","0.0434","0.0377","","","0.0785","0.0808","","","","","","1.08","","","","has coordinates,has disorder","203076","2020-10-21","18:00:00",""
"1547988","26.8296","0.0016","9.6925","0.0005","10.5106","0.0006","90","","101.233","0.0019","90","","2680.9","0.3","103","2","103","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C12 H15 Br O3 S -","- C12 H15 Br O3 S -","- C96 H120 Br8 O24 S8 -","8","4","","Lili Zong; Chao Wang; Adhitya Mangala Putra Moeljadi; Xinyi Ye; Rakesh Ganguly; Yongxin Li; Hajime Hirao; Choon-Hong Tan","Bisguanidinium dinuclear oxodiperoxomolybdosulfate ion pair-catalyzed enantioselective sulfoxidation","Nature Communications","2016","7","","13455","","10.1038/ncomms13455","","","0.71073","MoKα","","0.1706","0.062","","","0.0935","0.1213","","","","","","0.949","","","","has coordinates","203077","2020-10-21","18:00:00",""
"1547989","9.98","0.0004","10.9599","0.0004","21.0009","0.0008","75.729","0.001","78.004","0.001","71.392","0.001","2088.84","0.14","122","2","122.15","","","","","","","","","6","P -1","-P 1","2","","","","- C48 H44 F6 Ir O2 P2 -","- C48 H44 F6 Ir O2 P2 -","- C96 H88 F12 Ir2 O4 P4 -","2","1","","Kasper S. Pedersen; Jesper Bendix; Alain Tressaud; Etienne Durand; Hogni Weihe; Zaher Salman; Thorbjorn J Morsing; Daniel N. Woodruff; Yanhua Lan; Wolfgang Wernsdorfer; Corine Mathoniere; Stergios Piligkos; Sophia I. Klokishner; Serghei Ostrovsky; Katharina Ollefs; Fabrice Wilhelm; Andrei Rogalev; Rodolphe Clerac","Iridates from the molecular side","Nature Communications","2016","7","","12195","","10.1038/ncomms12195","","","0.71073","MoKα","","0.023","0.0187","","","0.0409","0.0419","","","","","","1.063","","","","has coordinates","203078","2020-10-21","18:00:00",""
"1547990","12.4516","0.0004","12.4516","0.0004","8.1424","0.0003","90","","90","","90","","1262.42","0.07","122","1","122","1","","","","","","","","6","P 42/n","-P 4bc","86","","","","- C5 H6 F1.5 Ir0.25 N2 Zn0.25 -","- C5 H6 F1.5 Ir0.25 N2 Zn0.25 -","- C40 H48 F12 Ir2 N16 Zn2 -","8","","","Kasper S. Pedersen; Jesper Bendix; Alain Tressaud; Etienne Durand; Hogni Weihe; Zaher Salman; Thorbjorn J Morsing; Daniel N. Woodruff; Yanhua Lan; Wolfgang Wernsdorfer; Corine Mathoniere; Stergios Piligkos; Sophia I. Klokishner; Serghei Ostrovsky; Katharina Ollefs; Fabrice Wilhelm; Andrei Rogalev; Rodolphe Clerac","Iridates from the molecular side","Nature Communications","2016","7","","12195","","10.1038/ncomms12195","","","0.71073","MoKα","","0.0252","0.0134","","","0.0297","0.0349","","","","","","1.0337","","","","has coordinates","203079","2020-10-21","18:00:00",""
"1547991","10.0669","0.0009","10.1893","0.0009","11.8996","0.0011","93.574","0.003","99.116","0.003","115.451","0.003","1076.51","0.17","122","2","122","2","","","","","","","","5","P -1","-P 1","2","","","","- C48 H40 Cl6 Ir P2 -","- C48 H40 Cl6 Ir P2 -","- C48 H40 Cl6 Ir P2 -","1","0.5","","Kasper S. Pedersen; Jesper Bendix; Alain Tressaud; Etienne Durand; Hogni Weihe; Zaher Salman; Thorbjorn J Morsing; Daniel N. Woodruff; Yanhua Lan; Wolfgang Wernsdorfer; Corine Mathoniere; Stergios Piligkos; Sophia I. Klokishner; Serghei Ostrovsky; Katharina Ollefs; Fabrice Wilhelm; Andrei Rogalev; Rodolphe Clerac","Iridates from the molecular side","Nature Communications","2016","7","","12195","","10.1038/ncomms12195","","","0.71073","MoKα","","0.0128","0.0127","","","0.033","0.0331","","","","","","1.056","","","","has coordinates","203080","2020-10-21","18:00:00",""
"1547993","32.757","0.002","34.249","0.002","31.088","0.002","90","","90","","90","","34877","4","100","2","100","2","","","","","","","","5","F d d 2","F 2 -2d","43","","","","- C48 H138.5 N12 O51.25 S6 -","- C48 H84 N12 O51.25 S6 -","- C768 H1344 N192 O820 S96 -","16","1","","Ming Liu; Linjiang Chen; Scott Lewis; Samantha Y. Chong; Marc A. Little; Tom Hasell; Iain M. Aldous; Craig M. Brown; Martin W. Smith; Carole A. Morrison; Laurence J. Hardwick; Andrew I. Cooper","Three-dimensional protonic conductivity in porous organic cage solids","Nature Communications","2016","7","","12750","","10.1038/ncomms12750","","x-ray","0.71073","MoKα","","0.0684","0.066","","","0.1824","0.1854","","","","","","1.057","","","","has coordinates,has disorder","203107","2020-10-21","18:00:00",""
"1547994","32.848","0.006","34.298","0.006","31.413","0.005","90","","90","","90","","35391","11","293","","293","","","","","","","","","5","F d d 2","F 2 -2d","43","","","","- C48 H138.5 N12 O51.25 S6 -","- C48 H84 N12 O51.25 S6 -","- C768 H1344 N192 O820 S96 -","16","1","","Ming Liu; Linjiang Chen; Scott Lewis; Samantha Y. Chong; Marc A. Little; Tom Hasell; Iain M. Aldous; Craig M. Brown; Martin W. Smith; Carole A. Morrison; Laurence J. Hardwick; Andrew I. Cooper","Three-dimensional protonic conductivity in porous organic cage solids","Nature Communications","2016","7","","12750","","10.1038/ncomms12750","","x-ray","0.71073","MoKα","","0.1222","0.1051","","","0.2742","0.2909","","","","","","1.036","","","","has coordinates,has disorder","203108","2020-10-21","18:00:00",""
"1547995","20.2276","0.0015","20.2276","0.0015","32.016","0.003","90","","90","","90","","13099.5","1.8","100","","100","","","","","","","","","5","P 41","P 4w","76","","","","- C48 H91 Cl12 N12 O4 -","- C48 H84 Cl11.9999 N12 O4 -","- C384 H672 Cl95.9996 N96 O32 -","8","2","","Ming Liu; Linjiang Chen; Scott Lewis; Samantha Y. Chong; Marc A. Little; Tom Hasell; Iain M. Aldous; Craig M. Brown; Martin W. Smith; Carole A. Morrison; Laurence J. Hardwick; Andrew I. Cooper","Three-dimensional protonic conductivity in porous organic cage solids","Nature Communications","2016","7","","12750","","10.1038/ncomms12750","","x-ray","0.6889","","","0.0803","0.0751","","","0.1844","0.1911","","","","","","1.105","","","","has coordinates,has disorder","203109","2020-10-21","18:00:00",""
"1548007","22.313","0.004","26.967","0.005","12.873","0.003","90","","90","","90","","7746","3","123","2","123","2","","","","","","","","4","C c c a","-C 2a 2ac","68","","","","- C20 H17 N2 O4 -","- C20 H15 N2 O4 -","- C320 H240 N32 O64 -","16","","","You-Gui Huang; Yoshihito Shiota; Ming-Yan Wu; Sheng-Qun Su; Zi-Shuo Yao; Soonchul Kang; Shinji Kanegawa; Guo-Ling Li; Shu-Qi Wu; Takashi Kamachi; Kazunari Yoshizawa; Katsuhiko Ariga; Mao-Chun Hong; Osamu Sato","Superior thermoelasticity and shape-memory nanopores in a porous supramolecular organic framework","Nature Communications","2016","7","","11564","","10.1038/ncomms11564","","","1.54178","CuKα","","0.1737","0.1373","","","0.3141","0.339","","","","","","1.074","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1548008","22.143","0.005","26.947","0.006","12.88","0.003","90","","90","","90","","7685","3","123","2","123","2","","","","","","","","4","C c c a","-C 2a 2ac","68","","","","- C20 H17 N2 O4 -","- C20 H15 N2 O4 -","- C320 H240 N32 O64 -","16","","","You-Gui Huang; Yoshihito Shiota; Ming-Yan Wu; Sheng-Qun Su; Zi-Shuo Yao; Soonchul Kang; Shinji Kanegawa; Guo-Ling Li; Shu-Qi Wu; Takashi Kamachi; Kazunari Yoshizawa; Katsuhiko Ariga; Mao-Chun Hong; Osamu Sato","Superior thermoelasticity and shape-memory nanopores in a porous supramolecular organic framework","Nature Communications","2016","7","","11564","","10.1038/ncomms11564","","","1.54178","CuKα","","0.1628","0.1475","","","0.3733","0.3849","","","","","","1.155","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1548009","22.283","0.005","26.935","0.006","12.891","0.003","90","","90","","90","","7737","3","153","2","153","2","","","","","","","","4","C c c a","-C 2a 2ac","68","","","","- C20 H17 N2 O4 -","- C20 H15 N2 O4 -","- C320 H240 N32 O64 -","16","","","You-Gui Huang; Yoshihito Shiota; Ming-Yan Wu; Sheng-Qun Su; Zi-Shuo Yao; Soonchul Kang; Shinji Kanegawa; Guo-Ling Li; Shu-Qi Wu; Takashi Kamachi; Kazunari Yoshizawa; Katsuhiko Ariga; Mao-Chun Hong; Osamu Sato","Superior thermoelasticity and shape-memory nanopores in a porous supramolecular organic framework","Nature Communications","2016","7","","11564","","10.1038/ncomms11564","","","1.54178","CuKα","","0.1542","0.1406","","","0.3611","0.3714","","","","","","1.17","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1548010","22.39","0.005","26.954","0.006","12.88","0.003","90","","90","","90","","7773","3","173","2","183","2","","","","","","","","4","C c c a","-C 2a 2ac","68","","","","- C20 H17 N2 O4 -","- C20 H15 N2 O4 -","- C320 H240 N32 O64 -","16","","","You-Gui Huang; Yoshihito Shiota; Ming-Yan Wu; Sheng-Qun Su; Zi-Shuo Yao; Soonchul Kang; Shinji Kanegawa; Guo-Ling Li; Shu-Qi Wu; Takashi Kamachi; Kazunari Yoshizawa; Katsuhiko Ariga; Mao-Chun Hong; Osamu Sato","Superior thermoelasticity and shape-memory nanopores in a porous supramolecular organic framework","Nature Communications","2016","7","","11564","","10.1038/ncomms11564","","","1.54178","CuKα","","0.1499","0.1362","","","0.3342","0.344","","","","","","1.122","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1548011","22.519","0.005","26.938","0.006","12.867","0.003","90","","90","","90","","7805","3","213","2","213","2","","","","","","","","4","C c c a","-C 2a 2ac","68","","","","- C20 H17 N2 O4 -","- C20 H15 N2 O4 -","- C320 H240 N32 O64 -","16","","","You-Gui Huang; Yoshihito Shiota; Ming-Yan Wu; Sheng-Qun Su; Zi-Shuo Yao; Soonchul Kang; Shinji Kanegawa; Guo-Ling Li; Shu-Qi Wu; Takashi Kamachi; Kazunari Yoshizawa; Katsuhiko Ariga; Mao-Chun Hong; Osamu Sato","Superior thermoelasticity and shape-memory nanopores in a porous supramolecular organic framework","Nature Communications","2016","7","","11564","","10.1038/ncomms11564","","","1.54178","CuKα","","0.161","0.143","","","0.3729","0.3862","","","","","","1.126","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1548012","22.691","0.005","26.989","0.006","12.841","0.003","90","","90","","90","","7864","3","243","2","243","2","","","","","","","","4","C c c a","-C 2a 2ac","68","","","","- C20 H17 N2 O4 -","- C20 H15 N2 O4 -","- C320 H240 N32 O64 -","16","","","You-Gui Huang; Yoshihito Shiota; Ming-Yan Wu; Sheng-Qun Su; Zi-Shuo Yao; Soonchul Kang; Shinji Kanegawa; Guo-Ling Li; Shu-Qi Wu; Takashi Kamachi; Kazunari Yoshizawa; Katsuhiko Ariga; Mao-Chun Hong; Osamu Sato","Superior thermoelasticity and shape-memory nanopores in a porous supramolecular organic framework","Nature Communications","2016","7","","11564","","10.1038/ncomms11564","","","1.54178","CuKα","","0.1542","0.1347","","","0.3316","0.3453","","","","","","1.176","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1548013","22.819","0.006","27.035","0.007","12.839","0.003","90","","90","","90","","7921","3","273","2","273","2","","","","","","","","4","C c c a","-C 2a 2ac","68","","","","- C20 H17 N2 O4 -","- C20 H15 N2 O4 -","- C320 H240 N32 O64 -","16","","","You-Gui Huang; Yoshihito Shiota; Ming-Yan Wu; Sheng-Qun Su; Zi-Shuo Yao; Soonchul Kang; Shinji Kanegawa; Guo-Ling Li; Shu-Qi Wu; Takashi Kamachi; Kazunari Yoshizawa; Katsuhiko Ariga; Mao-Chun Hong; Osamu Sato","Superior thermoelasticity and shape-memory nanopores in a porous supramolecular organic framework","Nature Communications","2016","7","","11564","","10.1038/ncomms11564","","","1.54178","CuKα","","0.1693","0.1438","","","0.3428","0.3594","","","","","","1.181","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1548014","22.975","0.005","27.014","0.006","12.824","0.003","90","","90","","90","","7959","3","303","2","303","2","","","","","","","","4","C c c a","-C 2a 2ac","68","","","","- C20 H17 N2 O4 -","- C20 H15 N2 O4 -","- C320 H240 N32 O64 -","16","","","You-Gui Huang; Yoshihito Shiota; Ming-Yan Wu; Sheng-Qun Su; Zi-Shuo Yao; Soonchul Kang; Shinji Kanegawa; Guo-Ling Li; Shu-Qi Wu; Takashi Kamachi; Kazunari Yoshizawa; Katsuhiko Ariga; Mao-Chun Hong; Osamu Sato","Superior thermoelasticity and shape-memory nanopores in a porous supramolecular organic framework","Nature Communications","2016","7","","11564","","10.1038/ncomms11564","","","1.54178","CuKα","","0.169","0.1384","","","0.3404","0.3604","","","","","","1.205","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1548015","23.21","0.005","26.944","0.006","12.808","0.003","90","","90","","90","","8010","3","333","2","333","2","","","","","","","","4","C c c a","-C 2a 2ac","68","","","","- C20 H17 N2 O4 -","- C20 H15 N2 O4 -","- C320 H240 N32 O64 -","16","","","You-Gui Huang; Yoshihito Shiota; Ming-Yan Wu; Sheng-Qun Su; Zi-Shuo Yao; Soonchul Kang; Shinji Kanegawa; Guo-Ling Li; Shu-Qi Wu; Takashi Kamachi; Kazunari Yoshizawa; Katsuhiko Ariga; Mao-Chun Hong; Osamu Sato","Superior thermoelasticity and shape-memory nanopores in a porous supramolecular organic framework","Nature Communications","2016","7","","11564","","10.1038/ncomms11564","","","1.54178","CuKα","","0.1713","0.1385","","","0.3228","0.3425","","","","","","1.182","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1548016","23.552","0.006","26.838","0.007","12.801","0.003","90","","90","","90","","8091","4","363","2","363","2","","","","","","","","4","C c c a","-C 2a 2ac","68","","","","- C20 H17 N2 O4 -","- C20 H15 N2 O4 -","- C320 H240 N32 O64 -","16","","","You-Gui Huang; Yoshihito Shiota; Ming-Yan Wu; Sheng-Qun Su; Zi-Shuo Yao; Soonchul Kang; Shinji Kanegawa; Guo-Ling Li; Shu-Qi Wu; Takashi Kamachi; Kazunari Yoshizawa; Katsuhiko Ariga; Mao-Chun Hong; Osamu Sato","Superior thermoelasticity and shape-memory nanopores in a porous supramolecular organic framework","Nature Communications","2016","7","","11564","","10.1038/ncomms11564","","","1.54178","CuKα","","0.2216","0.1867","","","0.409","0.4323","","","","","","1.213","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1548017","23.966","0.008","26.5","0.008","12.776","0.004","90","","90","","90","","8114","4","393","2","393","2","","","","","","","","4","C c c a","-C 2a 2ac","68","","","","- C20 H17 N2 O4 -","- C20 H15 N2 O4 -","- C320 H240 N32 O64 -","16","","","You-Gui Huang; Yoshihito Shiota; Ming-Yan Wu; Sheng-Qun Su; Zi-Shuo Yao; Soonchul Kang; Shinji Kanegawa; Guo-Ling Li; Shu-Qi Wu; Takashi Kamachi; Kazunari Yoshizawa; Katsuhiko Ariga; Mao-Chun Hong; Osamu Sato","Superior thermoelasticity and shape-memory nanopores in a porous supramolecular organic framework","Nature Communications","2016","7","","11564","","10.1038/ncomms11564","","","1.54178","CuKα","","0.265","0.2317","","","0.4529","0.474","","","","","","1.278","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1548018","17.856","0.006","17.856","0.006","12.787","0.007","90","","90","","90","","4077","3","438","2","438","2","","","","","","","","4","P 42/n b c","-P 4ac 2b","133","C10 H8.50 N O2","","","- C10 H8.5 N O2 -","- C10 H8.5 N O2 -","- C160 H136 N16 O32 -","16","","","You-Gui Huang; Yoshihito Shiota; Ming-Yan Wu; Sheng-Qun Su; Zi-Shuo Yao; Soonchul Kang; Shinji Kanegawa; Guo-Ling Li; Shu-Qi Wu; Takashi Kamachi; Kazunari Yoshizawa; Katsuhiko Ariga; Mao-Chun Hong; Osamu Sato","Superior thermoelasticity and shape-memory nanopores in a porous supramolecular organic framework","Nature Communications","2016","7","","11564","","10.1038/ncomms11564","","","1.54178","CuKα","","0.2123","0.1735","","","0.4425","0.4742","","","","","","0.913","","","","has coordinates","203133","2020-10-21","18:00:00",""
"1548019","17.491","0.009","17.491","0.009","12.915","0.007","90","","90","","90","","3951","4","303","2","303","2","","","","","","","","4","P 42/n b c","-P 4ac 2b","133","C10 H8.50 N O2","","","- C10 H8.5 N O2 -","- C10 H6.5 N O2 -","- C160 H104 N16 O32 -","16","","","You-Gui Huang; Yoshihito Shiota; Ming-Yan Wu; Sheng-Qun Su; Zi-Shuo Yao; Soonchul Kang; Shinji Kanegawa; Guo-Ling Li; Shu-Qi Wu; Takashi Kamachi; Kazunari Yoshizawa; Katsuhiko Ariga; Mao-Chun Hong; Osamu Sato","Superior thermoelasticity and shape-memory nanopores in a porous supramolecular organic framework","Nature Communications","2016","7","","11564","","10.1038/ncomms11564","","","1.54178","CuKα","","0.3202","0.2921","","","0.6352","0.6533","","","","","","0.935","","","","has coordinates","203134","2020-10-21","18:00:00",""
"1548020","17.289","0.006","17.289","0.006","12.957","0.004","90","","90","","90","","3873","2","123","2","123","2","","","","","","","","4","P 42/n b c","-P 4ac 2b","133","C10 H8.50 N O2","","","- C10 H8.5 N O2 -","- C10 H6.5 N O2 -","- C160 H104 N16 O32 -","16","","","You-Gui Huang; Yoshihito Shiota; Ming-Yan Wu; Sheng-Qun Su; Zi-Shuo Yao; Soonchul Kang; Shinji Kanegawa; Guo-Ling Li; Shu-Qi Wu; Takashi Kamachi; Kazunari Yoshizawa; Katsuhiko Ariga; Mao-Chun Hong; Osamu Sato","Superior thermoelasticity and shape-memory nanopores in a porous supramolecular organic framework","Nature Communications","2016","7","","11564","","10.1038/ncomms11564","","","1.54178","CuKα","","0.3197","0.2856","","","0.5842","0.6084","","","","","","0.985","","","","has coordinates","203135","2020-10-21","18:00:00",""
"1548022","23.042","0.005","9.2011","0.0019","20.049","0.004","90","","116.718","0.004","90","","3796.8","1.4","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C34 H36 N6 O10 Pt3 -","- C34 H36 N6 O10 Pt3 -","- C136 H144 N24 O40 Pt12 -","4","0.5","","Christopher H. Hendon; Aron Walsh; Norinobu Akiyama; Yosuke Konno; Takashi Kajiwara; Tasuku Ito; Hiroshi Kitagawa; Ken Sakai","One-dimensional Magnus-type platinum double salts","Nature Communications","2016","7","","11950","","10.1038/ncomms11950","","","0.71073","MoKα","","0.1263","0.0596","","","0.1269","0.1499","","","","","","0.905","","","","has coordinates","288183","2023-12-08","14:41:40",""
"1548023","18.7199","0.0006","9.6901","0.0003","23.7454","0.0008","90","","101.185","0.001","90","","4225.5","0.2","200","2","200","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C34 H47 N6 O15.5 Pt3 -","- C34 H36 N6 O15.244 Pt3 -","- C136 H144 N24 O60.976 Pt12 -","4","1","","Christopher H. Hendon; Aron Walsh; Norinobu Akiyama; Yosuke Konno; Takashi Kajiwara; Tasuku Ito; Hiroshi Kitagawa; Ken Sakai","One-dimensional Magnus-type platinum double salts","Nature Communications","2016","7","","11950","","10.1038/ncomms11950","","","0.71073","MoKα","","0.07","0.0331","","","0.0607","0.0678","","","","","","0.911","","","","has coordinates,has disorder","203148","2020-10-21","18:00:00",""
"1548024","22.9917","0.0008","17.8912","0.0006","20.7881","0.0007","90","","102.477","0.001","90","","8349.2","0.5","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C68 H88 N12 O28 Pt6 -","- C68 H72 N12 O28 Pt6 -","- C272 H288 N48 O112 Pt24 -","4","0.5","","Christopher H. Hendon; Aron Walsh; Norinobu Akiyama; Yosuke Konno; Takashi Kajiwara; Tasuku Ito; Hiroshi Kitagawa; Ken Sakai","One-dimensional Magnus-type platinum double salts","Nature Communications","2016","7","","11950","","10.1038/ncomms11950","","","0.71073","MoKα","","0.1143","0.0372","","","0.0552","0.0673","","","","","","0.815","","","","has coordinates,has disorder","288183","2023-12-08","14:41:53",""
"1548025","12.158","0.002","10.943","0.002","16.944","0.003","90","","93.548","0.004","90","","2250","0.7","296","2","296","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C34 H50 N7 O20 Pt3 -","- C34 H36 N7.001 O20.002 Pt3 -","- C68 H72 N14.002 O40.004 Pt6 -","2","0.5","","Christopher H. Hendon; Aron Walsh; Norinobu Akiyama; Yosuke Konno; Takashi Kajiwara; Tasuku Ito; Hiroshi Kitagawa; Ken Sakai","One-dimensional Magnus-type platinum double salts","Nature Communications","2016","7","","11950","","10.1038/ncomms11950","","","0.71073","MoKα","","0.0352","0.0249","","","0.0497","0.0512","","","","","","0.873","","","","has coordinates,has disorder","203150","2020-10-21","18:00:00",""
"1548026","14.3496","0.0006","17.9265","0.0008","26.5741","0.0012","89.696","0.004","88.052","0.004","86.937","0.004","6822.1","0.5","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C67 H111 B N4 O2 Si3 Th -","- C67 H111 B N4 O2 Si3 Th -","- C268 H444 B4 N16 O8 Si12 Th4 -","4","2","","Elizabeth P. Wildman; Gabor Balazs; Ashley J. Wooles; Manfred Scheer; Stephen T. Liddle","Thorium-phosphorus triamidoamine complexes containing Th-P single- and multiple-bond interactions","Nature Communications","2016","7","","12884","","10.1038/ncomms12884","","x-ray","0.71073","MoKα","","0.2352","0.2147","","","0.488","0.498","","","","","","1.248","","","","has coordinates","203151","2020-10-21","18:00:00",""
"1548027","18.6189","0.0005","22.6046","0.0007","22.2818","0.0005","90","","113.726","0.003","90","","8585.2","0.4","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C33 H77 N4 P Si3 Th -","- C33 H77 N4 P Si3 Th -","- C264 H616 N32 P8 Si24 Th8 -","8","2","","Elizabeth P. Wildman; Gabor Balazs; Ashley J. Wooles; Manfred Scheer; Stephen T. Liddle","Thorium-phosphorus triamidoamine complexes containing Th-P single- and multiple-bond interactions","Nature Communications","2016","7","","12884","","10.1038/ncomms12884","","x-ray","0.71073","MoKα","","0.1171","0.0584","","","0.099","0.1192","","","","","","0.981","","","","has coordinates,has disorder","203152","2020-10-21","18:00:00",""
"1548028","13.5631","0.0005","21.2452","0.0007","23.4879","0.0008","90","","90","","90","","6768.1","0.4","150","2","150","2","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C56 H116 N4 Na O8 P Si3 Th -","- C56 H116 N4 Na O8 P Si3 Th -","- C224 H464 N16 Na4 O32 P4 Si12 Th4 -","4","1","","Elizabeth P. Wildman; Gabor Balazs; Ashley J. Wooles; Manfred Scheer; Stephen T. Liddle","Thorium-phosphorus triamidoamine complexes containing Th-P single- and multiple-bond interactions","Nature Communications","2016","7","","12884","","10.1038/ncomms12884","","x-ray","0.71073","MoKα","","0.051","0.0377","","","0.0621","0.0659","","","","","","1.01","","","","has coordinates","203153","2020-10-21","18:00:00",""
"1548029","13.8618","0.0004","15.2608","0.0005","22.2411","0.0006","96.043","0.002","91.075","0.002","98.324","0.002","4626.7","0.2","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C80 H167 N8 P Si6 Th2 -","- C80 H167 N8 P Si6 Th2 -","- C160 H334 N16 P2 Si12 Th4 -","2","1","","Elizabeth P. Wildman; Gabor Balazs; Ashley J. Wooles; Manfred Scheer; Stephen T. Liddle","Thorium-phosphorus triamidoamine complexes containing Th-P single- and multiple-bond interactions","Nature Communications","2016","7","","12884","","10.1038/ncomms12884","","x-ray","0.71073","MoKα","","0.0732","0.0479","","","0.0808","0.0891","","","","","","1.07","","","","has coordinates,has disorder","203154","2020-10-21","18:00:00",""
"1548030","23.1479","0.0007","17.4133","0.0005","26.4947","0.0009","90","","103.615","0.004","90","","10379.4","0.6","150","2","150","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C84 H187 N8 Na O9 P Si6 Th2 -","- C84 H187 N8 Na O9 P Si6 Th2 -","- C336 H748 N32 Na4 O36 P4 Si24 Th8 -","4","1","","Elizabeth P. Wildman; Gabor Balazs; Ashley J. Wooles; Manfred Scheer; Stephen T. Liddle","Thorium-phosphorus triamidoamine complexes containing Th-P single- and multiple-bond interactions","Nature Communications","2016","7","","12884","","10.1038/ncomms12884","","x-ray","0.71073","MoKα","","0.0923","0.0557","","","0.1075","0.1271","","","","","","1.045","","","","has coordinates,has disorder","203155","2020-10-21","18:00:00",""
"1548031","18.4228","0.0013","21.7375","0.0013","20.5577","0.0013","90","","108.19","0.007","90","","7821.2","0.9","120","2","120","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C75 H134 B N5 O3 Si3 Th -","- C75 H134 B N5 O3 Si3 Th -","- C300 H536 B4 N20 O12 Si12 Th4 -","4","1","","Elizabeth P. Wildman; Gabor Balazs; Ashley J. Wooles; Manfred Scheer; Stephen T. Liddle","Thorium-phosphorus triamidoamine complexes containing Th-P single- and multiple-bond interactions","Nature Communications","2016","7","","12884","","10.1038/ncomms12884","","x-ray","1.54184","CuKα","","0.146","0.0888","","","0.1983","0.2472","","","","","","1.05","","","","has coordinates","203156","2020-10-21","18:00:00",""
"1548037","4.9205","0.001","11.812","0.002","14.637","0.003","99.369","0.007","93.376","0.007","98.82","0.007","826.4","0.3","100","2","100","2","","","","","","","","4","P 1","P 1","1","","","","- C30 H50 N6 O9 -","- C30 H50 N6 O9 -","- C30 H50 N6 O9 -","1","1","","Tom Guterman; Micha Kornreich; Avigail Stern; Lihi Adler-Abramovich; Danny Porath; Roy Beck; Linda J. W. Shimon; Ehud Gazit","Formation of bacterial pilus-like nanofibres by designed minimalistic self-assembling peptides","Nature Communications","2016","7","","13482","","10.1038/ncomms13482","","","0.7","synchrotron","","0.0472","0.047","","","0.1255","0.1257","","","","","","1.029","","","","has coordinates,has disorder","203162","2020-10-21","18:00:00",""
"1548038","10.0403","0.0004","4.671","0.0001","15.6056","0.0007","90","","106.407","0.004","90","","702.07","0.05","150","2","150","2","","","","","","","","2","P 1 21/n 1","-P 2yn","14","","","","- C24 H12 -","- C24 H12 -","- C48 H24 -","2","0.5","","Jason Potticary; Lui R. Terry; Christopher Bell; Alexandros N. Papanikolopoulos; Peter C. M. Christianen; Hans Engelkamp; Andrew M. Collins; Claudio Fontanesi; Gabriele Kociok-Kohn; Simon Crampin; Enrico Da Como; Simon R. Hall","An unforeseen polymorph of coronene by the application of magnetic fields during crystal growth","Nature Communications","2016","7","","11555","","10.1038/ncomms11555","","","1.54184","CuKα","","0.0531","0.0474","","","0.1309","0.1405","","","","","","1.044","","","","has coordinates","203163","2020-10-21","18:00:00",""
"1548039","10.3855","0.0012","3.8212","0.0003","17.2111","0.0018","90","","96.235","0.01","90","","678.98","0.12","80","2","80","2","","","","","","","","2","P 1 21/n 1","-P 2yn","14","","","","- C24 H12 -","- C24 H12 -","- C48 H24 -","2","0.5","","Jason Potticary; Lui R. Terry; Christopher Bell; Alexandros N. Papanikolopoulos; Peter C. M. Christianen; Hans Engelkamp; Andrew M. Collins; Claudio Fontanesi; Gabriele Kociok-Kohn; Simon Crampin; Enrico Da Como; Simon R. Hall","An unforeseen polymorph of coronene by the application of magnetic fields during crystal growth","Nature Communications","2016","7","","11555","","10.1038/ncomms11555","","","1.54184","CuKα","","0.1043","0.0752","","","0.1913","0.2203","","","","","","1.008","","","","has coordinates","203164","2020-10-21","18:00:00",""
"1548040","11.6193","0.0005","5.5667","0.0002","22.9312","0.001","90","","100.897","0.004","90","","1456.47","0.11","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C14 H8 Ca O6 S Xe0.42 -","- C14 H8 Ca O6 S Xe0.421 -","- C56 H32 Ca4 O24 S4 Xe1.684 -","4","1","","Debasis Banerjee; Cory M. Simon; Anna M. Plonka; Radha K. Motkuri; Jian Liu; Xianyin Chen; Berend Smit; John B. Parise; Maciej Haranczyk; Praveen K. Thallapally","Metal-organic framework with optimally selective xenon adsorption and separation","Nature Communications","2016","7","","11831","","10.1038/ncomms11831","","","1.54184","CuKα","","0.0835","0.0703","","","0.2105","0.2231","","","","","","1.325","","","","has coordinates","203165","2020-10-21","18:00:00",""
"1548041","11.8819","0.0003","5.5555","0.0001","22.6411","0.0005","90","","101.302","0.002","90","","1465.55","0.06","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C14 H8 Ca Kr0.15 O6 S -","- C14 H8 Ca Kr0.1496 O6 S -","- C56 H32 Ca4 Kr0.5984 O24 S4 -","4","1","","Debasis Banerjee; Cory M. Simon; Anna M. Plonka; Radha K. Motkuri; Jian Liu; Xianyin Chen; Berend Smit; John B. Parise; Maciej Haranczyk; Praveen K. Thallapally","Metal-organic framework with optimally selective xenon adsorption and separation","Nature Communications","2016","7","","11831","","10.1038/ncomms11831","","","0.71073","MoKα","","0.0518","0.0411","","","0.0993","0.1059","","","","","","0.997","","","","has coordinates","203166","2020-10-21","18:00:00",""
"1548042","22.3181","0.0005","23.1069","0.0004","22.5654","0.0006","90","","112.263","0.003","90","","10769.5","0.5","150.06","0.14","150.06","0.14","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C45 H69 Co N3 O13 Ru2 -","- C45 H69 Co0.9999 N3 O13 Ru2.0001 -","- C360 H552 Co7.9992 N24 O104 Ru16.0008 -","8","2","","Jesus Ferrando-Soria; Eufemio Moreno Pineda; Alessandro Chiesa; Antonio Fernandez; Samantha A. Magee; Stefano Carretta; Paolo Santini; Inigo J. Vitorica-Yrezabal; Floriana Tuna; Grigore A. Timco; Eric J.L. McInnes; Richard E.P. Winpenny","A modular design of molecular qubits to implement universal quantum gates","Nature Communications","2016","7","","11377","","10.1038/ncomms11377","","","0.71073","MoKα","","0.0725","0.05","","","0.117","0.1295","","","","","","1.034","","","","has coordinates,has disorder","203167","2020-10-21","18:00:00",""
"1548043","11.466","0.0005","14.9252","0.0009","18.9394","0.0008","84.303","0.004","88.505","0.004","68.403","0.005","2998.5","0.3","100","2","100","2","","","","","","","","9","P -1","-P 1","2","","","","- C46 H71 Cl2 Co F6 N3 O13 P Ru2 -","- C46 H71 Cl2 Co0.9999 F6 N3 O13 P Ru2.0001 -","- C92 H142 Cl4 Co1.9998 F12 N6 O26 P2 Ru4.0002 -","2","1","","Jesus Ferrando-Soria; Eufemio Moreno Pineda; Alessandro Chiesa; Antonio Fernandez; Samantha A. Magee; Stefano Carretta; Paolo Santini; Inigo J. Vitorica-Yrezabal; Floriana Tuna; Grigore A. Timco; Eric J.L. McInnes; Richard E.P. Winpenny","A modular design of molecular qubits to implement universal quantum gates","Nature Communications","2016","7","","11377","","10.1038/ncomms11377","","x-ray","0.6889","","","0.1342","0.1192","","","0.3074","0.3372","","","","","","1.435","","","","has coordinates,has disorder","203168","2020-10-21","18:00:00",""
"1548044","24.8796","0.0005","24.8796","0.0005","96.7732","0.0016","90","","90","","120","","51876.7","1.7","100","2","100.15","","","","","","","","","9","P 61 2 2","P 61 2 (0 0 5)","178","","","","- C209 H369 Co Cr14 F16 N5 Ni2 O77 Ru2 -","- C209 H369 Co0.9999 Cr14 F16 N5 Ni2 O77 Ru2.0001 -","- C1254 H2214 Co5.9994 Cr84 F96 N30 Ni12 O462 Ru12.0006 -","6","0.5","","Jesus Ferrando-Soria; Eufemio Moreno Pineda; Alessandro Chiesa; Antonio Fernandez; Samantha A. Magee; Stefano Carretta; Paolo Santini; Inigo J. Vitorica-Yrezabal; Floriana Tuna; Grigore A. Timco; Eric J.L. McInnes; Richard E.P. Winpenny","A modular design of molecular qubits to implement universal quantum gates","Nature Communications","2016","7","","11377","","10.1038/ncomms11377","","x-ray","1.54184","CuKα","","0.1382","0.1276","","","0.3158","0.3266","","","","","","1.308","","","","has coordinates,has disorder","203169","2020-10-21","18:00:00",""
"1548045","19.3835","0.0003","27.6538","0.0004","29.1765","0.0006","76.822","0.0016","84.5616","0.0015","89.7001","0.0013","15156.9","0.5","100.15","","100.15","","","","","","","","","9","P -1","-P 1","2","","","","- C216 H347 Cl2 Co Cr14 F16 N9 Ni2 O72 -","- C224 H357 Cl Co Cr14 F16 N9 Ni2 O68 -","- C448 H714 Cl2 Co2 Cr28 F32 N18 Ni4 O136 -","2","1","","Jesus Ferrando-Soria; Eufemio Moreno Pineda; Alessandro Chiesa; Antonio Fernandez; Samantha A. Magee; Stefano Carretta; Paolo Santini; Inigo J. Vitorica-Yrezabal; Floriana Tuna; Grigore A. Timco; Eric J.L. McInnes; Richard E.P. Winpenny","A modular design of molecular qubits to implement universal quantum gates","Nature Communications","2016","7","","11377","","10.1038/ncomms11377","","x-ray","0.6889","","","0.1586","0.105","","","0.3098","0.3574","","","","","","1.199","","","","has coordinates,has disorder","203170","2020-10-21","18:00:00",""
"1548046","56.308","0.003","16.4647","0.0003","30.7417","0.0009","90","","93.238","0.003","90","","28455","1.8","100","2","100.15","","","","","","","","","9","C 1 2/c 1","-C 2yc","15","","","","- C206 H330 Cl2 Co Cr14 F16 N8 Ni2 O72 -","- C206 H330 Cl2 Co Cr14 F16 N8 Ni2 O72 -","- C824 H1320 Cl8 Co4 Cr56 F64 N32 Ni8 O288 -","4","0.5","","Jesus Ferrando-Soria; Eufemio Moreno Pineda; Alessandro Chiesa; Antonio Fernandez; Samantha A. Magee; Stefano Carretta; Paolo Santini; Inigo J. Vitorica-Yrezabal; Floriana Tuna; Grigore A. Timco; Eric J.L. McInnes; Richard E.P. Winpenny","A modular design of molecular qubits to implement universal quantum gates","Nature Communications","2016","7","","11377","","10.1038/ncomms11377","","x-ray","0.6889","","","0.1752","0.1272","","","0.3574","0.422","","","","","","1.301","","","","has coordinates,has disorder","203171","2020-10-21","18:00:00",""
"1548047","16.6948","0.0003","29.8156","0.0006","31.7036","0.0006","70.4222","0.0018","83.8761","0.0016","77.9945","0.0018","14531.7","0.5","100","2","100","2","","","","","","","","9","P -1","-P 1","2","","","","- C189 H322 Co Cr14 F16 N8 Ni2 O65 S2 -","- C189 H322 Co Cr14 F16 N8 Ni2 O65 S2 -","- C378 H644 Co2 Cr28 F32 N16 Ni4 O130 S4 -","2","1","","Jesus Ferrando-Soria; Eufemio Moreno Pineda; Alessandro Chiesa; Antonio Fernandez; Samantha A. Magee; Stefano Carretta; Paolo Santini; Inigo J. Vitorica-Yrezabal; Floriana Tuna; Grigore A. Timco; Eric J.L. McInnes; Richard E.P. Winpenny","A modular design of molecular qubits to implement universal quantum gates","Nature Communications","2016","7","","11377","","10.1038/ncomms11377","","x-ray","1.5418","CuKα","","0.0984","0.0697","","","0.1816","0.1984","","","","","","1.036","","","","has coordinates,has disorder","203172","2020-10-21","18:00:00",""
"1548048","40.103","0.002","9.0797","0.0004","21.8936","0.0012","90","","106.06","0.006","90","","7660.8","0.7","100","","100","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C34 H27 B2 Co F8 N6 O7 -","- C34 H27 B2 Co F8 N6 O7 -","- C272 H216 B16 Co8 F64 N48 O56 -","8","1","","Jesus Ferrando-Soria; Eufemio Moreno Pineda; Alessandro Chiesa; Antonio Fernandez; Samantha A. Magee; Stefano Carretta; Paolo Santini; Inigo J. Vitorica-Yrezabal; Floriana Tuna; Grigore A. Timco; Eric J.L. McInnes; Richard E.P. Winpenny","A modular design of molecular qubits to implement universal quantum gates","Nature Communications","2016","7","","11377","","10.1038/ncomms11377","","x-ray","1.54178","CuKα","","0.1321","0.0831","","","0.2314","0.2723","","","","","","1.02","","","","has coordinates,has disorder","203173","2020-10-21","18:00:00",""
"1548049","9.2332","0.0006","12.2853","0.0009","19.3386","0.0011","85.098","0.005","76.757","0.005","88.79","0.005","2127.5","0.2","100","","100","","","","","","","","","8","P -1","-P 1","2","","","","- C44.5 H29 B2 Cl Co F8 N6 O4 -","- C44.5 H29 B2 Cl Co F8 N6 O4 -","- C89 H58 B4 Cl2 Co2 F16 N12 O8 -","2","1","","Jesus Ferrando-Soria; Eufemio Moreno Pineda; Alessandro Chiesa; Antonio Fernandez; Samantha A. Magee; Stefano Carretta; Paolo Santini; Inigo J. Vitorica-Yrezabal; Floriana Tuna; Grigore A. Timco; Eric J.L. McInnes; Richard E.P. Winpenny","A modular design of molecular qubits to implement universal quantum gates","Nature Communications","2016","7","","11377","","10.1038/ncomms11377","","x-ray","1.54184","CuKα","","0.1357","0.1045","","","0.2864","0.3166","","","","","","1.04","","","","has coordinates","203174","2020-10-21","18:00:00",""
"1548050","16.7978","0.0004","31.2594","0.0011","24.9128","0.0009","90","","103.209","0.003","90","","12735.3","0.7","150.06","0.14","150.06","0.14","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C97 H161 Cr7.04 F8 N4 Ni0.96 O32 -","- C97 H161 Cr7.04 F8 N4 Ni0.96 O32 -","- C388 H644 Cr28.16 F32 N16 Ni3.84 O128 -","4","1","","Jesus Ferrando-Soria; Eufemio Moreno Pineda; Alessandro Chiesa; Antonio Fernandez; Samantha A. Magee; Stefano Carretta; Paolo Santini; Inigo J. Vitorica-Yrezabal; Floriana Tuna; Grigore A. Timco; Eric J.L. McInnes; Richard E.P. Winpenny","A modular design of molecular qubits to implement universal quantum gates","Nature Communications","2016","7","","11377","","10.1038/ncomms11377","","x-ray","0.71073","MoKα","","0.0965","0.0569","","","0.1141","0.1341","","","","","","1.025","","","","has coordinates,has disorder","203175","2020-10-21","18:00:00",""
"1548051","30.5037","0.0019","16.5057","0.0005","32.2556","0.0019","90","","115.872","0.007","90","","14612.5","1.6","100","","100","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C110 H173 Cr7 F8 N4 Ni O32 -","- C110 H173 Cr7 F8 N4 Ni O32 -","- C440 H692 Cr28 F32 N16 Ni4 O128 -","4","1","","Jesus Ferrando-Soria; Eufemio Moreno Pineda; Alessandro Chiesa; Antonio Fernandez; Samantha A. Magee; Stefano Carretta; Paolo Santini; Inigo J. Vitorica-Yrezabal; Floriana Tuna; Grigore A. Timco; Eric J.L. McInnes; Richard E.P. Winpenny","A modular design of molecular qubits to implement universal quantum gates","Nature Communications","2016","7","","11377","","10.1038/ncomms11377","","x-ray","1.54184","CuKα","","0.173","0.1191","","","0.3297","0.3876","","","","","","1.147","","","","has coordinates,has disorder","203176","2020-10-21","18:00:00",""
"1548075","10.9738","0.0004","11.9313","0.0004","12.6146","0.0006","118.021","0.003","108.361","0.004","96.476","0.003","1315.07","0.12","100","2","100","2","","","","","","","","7","P 1","P 1","1","","","","- C38 H80 As2 Ge2 K2 N6 O12 -","- C38 H80.0011 As2 Ge2 K2 N6 O12 -","- C38 H80.0011 As2 Ge2 K2 N6 O12 -","1","1","","Stefan Mitzinger; Lies Broeckaert; Werner Massa; Florian Weigend; Stefanie Dehnen","Understanding of multimetallic cluster growth","Nature Communications","2016","7","","10480","","10.1038/ncomms10480","","","0.71073","MoKα","","0.0494","0.0454","","","0.1157","0.1189","","","","","","1.076","","","","has coordinates,has disorder","203258","2020-10-21","18:00:00",""
"1548076","11.8653","0.0003","11.8653","0.0003","22.3848","0.0009","90","","90","","120","","2729.24","0.15","110","2","110","2","","","","","","","","7","P -3 c 1","-P 3 2""c","165","","","","- C36 H72 As2 Ge7 K2 N4 O12 -","- C36 H72 As2.0007 Ge6.9984 K2 N4 O12 -","- C72 H144 As4.0014 Ge13.9968 K4 N8 O24 -","2","0.166667","","Stefan Mitzinger; Lies Broeckaert; Werner Massa; Florian Weigend; Stefanie Dehnen","Understanding of multimetallic cluster growth","Nature Communications","2016","7","","10480","","10.1038/ncomms10480","","","0.71073","MoKα","","0.109","0.0521","","","0.0983","0.1048","","","","","","0.958","","","","has coordinates","203259","2020-10-21","18:00:00",""
"1548077","13.7543","0.0002","28.6077","0.0005","22.9845","0.0004","90","","92.489","0.001","90","","9035.4","0.3","100","2","100","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C68 H124 As4 Ge6 K3 N6 O18 Ta -","- C68 H124 As4 Ge6 K3 N6 O18 Ta -","- C272 H496 As16 Ge24 K12 N24 O72 Ta4 -","4","1","","Stefan Mitzinger; Lies Broeckaert; Werner Massa; Florian Weigend; Stefanie Dehnen","Understanding of multimetallic cluster growth","Nature Communications","2016","7","","10480","","10.1038/ncomms10480","","","0.71073","MoKα","","0.0562","0.0346","","","0.0795","0.0838","","","","","","0.884","","","","has coordinates,has disorder","203260","2020-10-21","18:00:00",""
"1548078","16.6082","0.0005","22.696","0.0008","23.9068","0.0008","94.96","0.003","94.036","0.003","91.402","0.003","8951.2","0.5","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C56 H116 As4.79 Ge8 K3 N8 O18 Ta -","- C47 H98.0001 As4.79065 Ge8.0004 K3 N7 O15 Ta -","- C188 H392.001 As19.1626 Ge32.0016 K12 N28 O60 Ta4 -","4","2","","Stefan Mitzinger; Lies Broeckaert; Werner Massa; Florian Weigend; Stefanie Dehnen","Understanding of multimetallic cluster growth","Nature Communications","2016","7","","10480","","10.1038/ncomms10480","","","0.71073","MoKα","","0.1187","0.0735","","","0.1838","0.1973","","","","","","0.991","","","","has coordinates","203261","2020-10-21","18:00:00",""
"1548079","27.6082","0.0004","23.0173","0.0004","24.3319","0.0004","90","","90","","90","","15462.1","0.4","173","","173","","","","","","","","Lab 312, RCS1, Imperial College London","5","A e a 2","A 2 -2ab","41","","Zn11Et10O4(DPPA)4","","- C68 H90 O12 P4 Zn11 -","- C68 H90 O12 P4 Zn11 -","- C544 H720 O96 P32 Zn88 -","8","1","","Sebastian D. Pike; Edward R. White; Milo S. P. Shaffer; Charlotte K. Williams","Simple phosphinate ligands access zinc clusters identified in the synthesis of zinc oxide nanoparticles","Nature Communications","2016","7","","13008","","10.1038/ncomms13008","","","0.71073","MoKα","","0.0443","0.0334","","0.0767","0.0719","0.0767","","","","","","0.9947","","","","has coordinates","203262","2020-10-21","18:00:00",""
"1548080","24.3886","0.0005","10.1308","0.0002","23.8034","0.0005","90","","110.684","0.002","90","","5502.2","0.2","173","","173","","","","","","","","RCS1 312 Imperial College London","5","C 1 2/c 1","-C 2yc","15","","Zn4Et4(DPPA)4","","- C56 H60 O8 P4 Zn4 -","- C56 H60 O8 P4 Zn4 -","- C224 H240 O32 P16 Zn16 -","4","0.5","","Sebastian D. Pike; Edward R. White; Milo S. P. Shaffer; Charlotte K. Williams","Simple phosphinate ligands access zinc clusters identified in the synthesis of zinc oxide nanoparticles","Nature Communications","2016","7","","13008","","10.1038/ncomms13008","","","0.71073","MoKα","","0.0374","0.0295","","0.0653","0.0618","0.0653","","","","","","0.9733","","","","has coordinates","203263","2020-10-21","18:00:00",""
"1548081","26.8366","0.0004","19.619","0.0003","18.5191","0.0003","90","","94.853","0.0014","90","","9715.5","0.3","173","","173","","","","","","","","RCS1 312 Imperial College London","5","P 1 21/c 1","-P 2ybc","14","","Zn4O(DMeOPPA)6","","- C98 H100 O25 P6 Zn4 -","- C98 H100 O25 P6 Zn4 -","- C392 H400 O100 P24 Zn16 -","4","1","","Sebastian D. Pike; Edward R. White; Milo S. P. Shaffer; Charlotte K. Williams","Simple phosphinate ligands access zinc clusters identified in the synthesis of zinc oxide nanoparticles","Nature Communications","2016","7","","13008","","10.1038/ncomms13008","","","0.71073","MoKα","","0.0599","0.0386","","0.0981","0.0844","0.098","","","","","","1.0132","","","","has coordinates","203264","2020-10-21","18:00:00",""
"1548082","18.0222","0.0003","27.3672","0.0004","24.9782","0.0004","90","","104.179","0.0018","90","","11944.4","0.3","173","","173","","","","","","","","RCS1 312 Imperial College London","5","P 1 21/c 1","-P 2ybc","14","","Zn6(OH)3(DPPA)9","","- C115 H101 O21 P9 Zn6 -","- C115 H101 O21 P9 Zn6 -","- C460 H404 O84 P36 Zn24 -","4","1","","Sebastian D. Pike; Edward R. White; Milo S. P. Shaffer; Charlotte K. Williams","Simple phosphinate ligands access zinc clusters identified in the synthesis of zinc oxide nanoparticles","Nature Communications","2016","7","","13008","","10.1038/ncomms13008","","","0.71073","MoKα","","0.0833","0.0449","","0.1015","0.0946","0.1015","","","","","","0.9335","","","","has coordinates,has disorder","203265","2020-10-21","18:00:00",""
"1548083","18.9696","0.0003","19.3442","0.0003","35.8523","0.0007","100.397","0.0016","98.3638","0.0016","98.829","0.0015","12582.2","0.4","173","","173","","","","","","","","Lab 312, RCS1, Imperial Collegel London","6","P -1","-P 1","2","","Zn6B3O6(DPPA)9","","- C124 H122 B3 O28 P9 Zn6 -","- C124 H122 B3 O28 P9 Zn6 -","- C496 H488 B12 O112 P36 Zn24 -","4","2","","Sebastian D. Pike; Edward R. White; Milo S. P. Shaffer; Charlotte K. Williams","Simple phosphinate ligands access zinc clusters identified in the synthesis of zinc oxide nanoparticles","Nature Communications","2016","7","","13008","","10.1038/ncomms13008","","","1.54184","CuKα","","0.0451","0.0389","","0.1054","0.1006","0.1053","","","","","","0.9889","","","","has coordinates,has disorder","203266","2020-10-21","18:00:00",""
"1548084","13.05","0.0002","13.05","0.0002","16.2992","0.0007","90","","90","","120","","2403.91","0.12","296","2","296","2","","","","","","","","5","P -3","-P 3","147","","","","- C51 H29 N3 O13 Zn3 -","- C51 H27 N3 O13 Zn3 -","- C102 H54 N6 O26 Zn6 -","2","0.333333","","Huajun He; En Ma; Yuanjing Cui; Jiancan Yu; Yu Yang; Tao Song; Chuan-De Wu; Xueyuan Chen; Banglin Chen; Guodong Qian","Polarized three-photon-pumped laser in a single MOF microcrystal","Nature Communications","2016","7","","11087","","10.1038/ncomms11087","","","0.71073","MoKα","","0.1279","0.0567","","","0.1294","0.1448","","","","","","1.019","","","","has coordinates","203267","2020-10-21","18:00:00",""
"1548085","37.092","0.002","15.8045","0.0002","22.2156","0.0012","90","","140.685","0.011","90","","8251","2","120","2","120","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C66 H150 Li2 N10 Si6 U2 -","- C66 H150 Li2 N10 Si6 U2 -","- C264 H600 Li8 N40 Si24 U8 -","4","0.5","","David M. King; Peter A. Cleaves; Ashley J. Wooles; Benedict M. Gardner; Nicholas F. Chilton; Floriana Tuna; William Lewis; Eric J. L. McInnes; Stephen T. Liddle","Molecular and electronic structure of terminal and alkali metal-capped uranium(V) nitride complexes","Nature Communications","2016","7","","13773","","10.1038/ncomms13773","","","1.54184","CuKα","","0.0257","0.0236","","","0.0586","0.0599","","","","","","1.035","","","","has coordinates","203269","2020-10-21","18:00:00",""
"1548086","13.8074","0.0007","23.2204","0.0019","26.3621","0.0015","90","","90","","90","","8452","0.9","120","2","120","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C66 H150 K2 N10 Si6 U2 -","- C66 H150 K2 N10 Si6 U2 -","- C264 H600 K8 N40 Si24 U8 -","4","0.5","","David M. King; Peter A. Cleaves; Ashley J. Wooles; Benedict M. Gardner; Nicholas F. Chilton; Floriana Tuna; William Lewis; Eric J. L. McInnes; Stephen T. Liddle","Molecular and electronic structure of terminal and alkali metal-capped uranium(V) nitride complexes","Nature Communications","2016","7","","13773","","10.1038/ncomms13773","","","1.54184","CuKα","","0.0636","0.051","","","0.1286","0.1372","","","","","","1.059","","","","has coordinates","203270","2020-10-21","18:00:00",""
"1548087","13.7527","0.0003","23.1023","0.0005","26.7606","0.0004","90","","90","","90","","8502.4","0.3","120","2","120","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C66 H150 N10 Rb2 Si6 U2 -","- C66 H150 N10 Rb2 Si6 U2 -","- C264 H600 N40 Rb8 Si24 U8 -","4","0.5","","David M. King; Peter A. Cleaves; Ashley J. Wooles; Benedict M. Gardner; Nicholas F. Chilton; Floriana Tuna; William Lewis; Eric J. L. McInnes; Stephen T. Liddle","Molecular and electronic structure of terminal and alkali metal-capped uranium(V) nitride complexes","Nature Communications","2016","7","","13773","","10.1038/ncomms13773","","","1.54184","CuKα","","0.0364","0.0314","","","0.0805","0.0824","","","","","","0.98","","","","has coordinates","203271","2020-10-21","18:00:00",""
"1548088","22.76348","0.00012","17.0958","0.00009","22.50605","0.00012","90","","100.782","0.0005","90","","8603.83","0.08","120","2","120","2","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C66 H150 Cs2 N10 Si6 U2 -","- C66 H150 Cs2 N10 Si6 U2 -","- C264 H600 Cs8 N40 Si24 U8 -","4","0.5","","David M. King; Peter A. Cleaves; Ashley J. Wooles; Benedict M. Gardner; Nicholas F. Chilton; Floriana Tuna; William Lewis; Eric J. L. McInnes; Stephen T. Liddle","Molecular and electronic structure of terminal and alkali metal-capped uranium(V) nitride complexes","Nature Communications","2016","7","","13773","","10.1038/ncomms13773","","","1.54184","CuKα","","0.0396","0.0395","","","0.1031","0.1031","","","","","","1.074","","","","has coordinates,has disorder","203272","2020-10-21","18:00:00",""
"1548089","11.3428","0.0003","16.5053","0.0005","18.3155","0.0005","79.554","0.003","85.928","0.002","81.641","0.002","3332.79","0.17","120","2","120","2","","","","","","","","7","P -1","-P 1","2","","","","- C53 H115 K N5 O10 Si3 U -","- C53 H115 K N5 O10 Si3 U -","- C106 H230 K2 N10 O20 Si6 U2 -","2","1","","David M. King; Peter A. Cleaves; Ashley J. Wooles; Benedict M. Gardner; Nicholas F. Chilton; Floriana Tuna; William Lewis; Eric J. L. McInnes; Stephen T. Liddle","Molecular and electronic structure of terminal and alkali metal-capped uranium(V) nitride complexes","Nature Communications","2016","7","","13773","","10.1038/ncomms13773","","","1.54184","CuKα","","0.0349","0.0321","","","0.0803","0.0823","","","","","","1.044","","","","has coordinates,has disorder","203273","2020-10-21","18:00:00",""
"1548090","15.8741","0.0003","18.5622","0.0003","24.7397","0.0004","90","","104.27","0.0016","90","","7064.8","0.2","120","2","120","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C61 H115 N5 O10 Rb Si3 U -","- C61 H115 N5 O10 Rb Si3 U -","- C244 H460 N20 O40 Rb4 Si12 U4 -","4","1","","David M. King; Peter A. Cleaves; Ashley J. Wooles; Benedict M. Gardner; Nicholas F. Chilton; Floriana Tuna; William Lewis; Eric J. L. McInnes; Stephen T. Liddle","Molecular and electronic structure of terminal and alkali metal-capped uranium(V) nitride complexes","Nature Communications","2016","7","","13773","","10.1038/ncomms13773","","","1.54184","CuKα","","0.0245","0.022","","","0.0526","0.054","","","","","","1.02","","","","has coordinates,has disorder","203274","2020-10-21","18:00:00",""
"1548091","16.09798","0.00019","18.4937","0.0002","24.5732","0.0003","90","","103.225","0.0012","90","","7121.71","0.15","120","2","120","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C61 H115 Cs N5 O10 Si3 U -","- C61 H115 Cs N5 O10 Si3 U -","- C244 H460 Cs4 N20 O40 Si12 U4 -","4","1","","David M. King; Peter A. Cleaves; Ashley J. Wooles; Benedict M. Gardner; Nicholas F. Chilton; Floriana Tuna; William Lewis; Eric J. L. McInnes; Stephen T. Liddle","Molecular and electronic structure of terminal and alkali metal-capped uranium(V) nitride complexes","Nature Communications","2016","7","","13773","","10.1038/ncomms13773","","","1.54184","CuKα","","0.0667","0.0585","","","0.1422","0.1488","","","","","","1.025","","","","has coordinates,has disorder","203275","2020-10-21","18:00:00",""
"1548092","25.5519","0.0002","13.37345","0.00009","14.81292","0.0001","90","","90","","90","","5061.83","0.06","120","2","120","2","","","","","","","","7","P n 21 a","P -2ac -2n","33","","","","- C41 H91 Li N5 O4 Si3 U -","- C41 H91 Li N5 O4 Si3 U -","- C164 H364 Li4 N20 O16 Si12 U4 -","4","1","","David M. King; Peter A. Cleaves; Ashley J. Wooles; Benedict M. Gardner; Nicholas F. Chilton; Floriana Tuna; William Lewis; Eric J. L. McInnes; Stephen T. Liddle","Molecular and electronic structure of terminal and alkali metal-capped uranium(V) nitride complexes","Nature Communications","2016","7","","13773","","10.1038/ncomms13773","","","1.54184","CuKα","","0.0304","0.0285","","","0.0708","0.0728","","","","","","1.017","","","","has coordinates,has disorder","203276","2020-10-21","18:00:00",""
"1548093","23.7586","0.0003","23.7586","0.0003","23.7586","0.0003","90","","90","","90","","13411","0.3","120","2","120","2","","","","","","","","7","P a -3","-P 2ac 2ab 3","205","","","","- C52.5 H116.5 N5 O6 Rb Si3 U -","- C45 H99 N5 O6 Rb Si3 U -","- C360 H792 N40 O48 Rb8 Si24 U8 -","8","0.333333","","David M. King; Peter A. Cleaves; Ashley J. Wooles; Benedict M. Gardner; Nicholas F. Chilton; Floriana Tuna; William Lewis; Eric J. L. McInnes; Stephen T. Liddle","Molecular and electronic structure of terminal and alkali metal-capped uranium(V) nitride complexes","Nature Communications","2016","7","","13773","","10.1038/ncomms13773","","","1.54184","CuKα","","0.0816","0.0699","","","0.1987","0.212","","","","","","1.061","","","","has coordinates,has disorder","203277","2020-10-21","18:00:00",""
"1548094","14.5874","0.0004","13.7318","0.0003","28.4495","0.0008","90","","91.52","0.003","90","","5696.7","0.3","120","2","120","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C45 H99 Cs N5 O6 Si3 U -","- C45 H99 Cs N5 O6 Si3 U -","- C180 H396 Cs4 N20 O24 Si12 U4 -","4","1","","David M. King; Peter A. Cleaves; Ashley J. Wooles; Benedict M. Gardner; Nicholas F. Chilton; Floriana Tuna; William Lewis; Eric J. L. McInnes; Stephen T. Liddle","Molecular and electronic structure of terminal and alkali metal-capped uranium(V) nitride complexes","Nature Communications","2016","7","","13773","","10.1038/ncomms13773","","","1.54184","CuKα","","0.0535","0.0457","","","0.1204","0.1285","","","","","","1.025","","","","has coordinates","203278","2020-10-21","18:00:00",""
"1548095","11.83314","0.0001","22.09845","0.00018","22.8903","0.00019","90","","90","","90","","5985.68","0.09","120","2","120","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C53 H99 K N5 O6 Si3 U -","- C53 H99 K N5 O6 Si3 U -","- C212 H396 K4 N20 O24 Si12 U4 -","4","1","","David M. King; Peter A. Cleaves; Ashley J. Wooles; Benedict M. Gardner; Nicholas F. Chilton; Floriana Tuna; William Lewis; Eric J. L. McInnes; Stephen T. Liddle","Molecular and electronic structure of terminal and alkali metal-capped uranium(V) nitride complexes","Nature Communications","2016","7","","13773","","10.1038/ncomms13773","","","1.54184","CuKα","","0.016","0.0158","","","0.0373","0.0374","","","","","","1.062","","","","has coordinates","203279","2020-10-21","18:00:00",""
"1548162","17.579","0.004","17.158","0.003","25.46","0.005","90","","101.8","0.03","90","","7517","3","173","2","173","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C81 H65 Au4 B Cl3 F4 N P4 -","- C81 H65 Au4 B Cl3 F4 N P4 -","- C324 H260 Au16 B4 Cl12 F16 N4 P16 -","4","1","","Jun Yuan; Tingting Sun; Xin He; Ke An; Jun Zhu; Liang Zhao","Synthesis of tetra- and octa-aurated heteroaryl complexes towards probing aromatic indoliums","Nature Communications","2016","7","","11489","","10.1038/ncomms11489","","","0.710747","MoKα","","0.1437","0.1162","","","0.2724","0.3049","","","","","","1.205","","","","has coordinates","203480","2020-10-21","18:00:00",""
"1548163","17.519","0.004","19.67","0.004","20.326","0.004","76.07","0.03","81.79","0.03","72.44","0.03","6463","3","173","2","173","2","","","","","","","","8","P -1","-P 1","2","","","","- C69 H55 Au3 B Cl3 F4 N P3 -","- C69 H55 Au3 B Cl3 F4 N P3 -","- C276 H220 Au12 B4 Cl12 F16 N4 P12 -","4","2","","Jun Yuan; Tingting Sun; Xin He; Ke An; Jun Zhu; Liang Zhao","Synthesis of tetra- and octa-aurated heteroaryl complexes towards probing aromatic indoliums","Nature Communications","2016","7","","11489","","10.1038/ncomms11489","","","0.710747","MoKα","","0.0924","0.0755","","","0.1907","0.2037","","","","","","1.158","","","","has coordinates","214153","2020-10-21","18:00:00",""
"1548164","10.506","0.002","16.748","0.003","19.375","0.004","67.55","0.03","89.98","0.03","89.81","0.03","3150.7","1.3","173","2","173","2","","","","","","","","9","P -1","-P 1","2","","","","- C63 H56 Au3 B Cl3 F4 N P3 Si -","- C63 H56 Au3 B Cl3 F4 N P3 Si -","- C126 H112 Au6 B2 Cl6 F8 N2 P6 Si2 -","2","1","","Jun Yuan; Tingting Sun; Xin He; Ke An; Jun Zhu; Liang Zhao","Synthesis of tetra- and octa-aurated heteroaryl complexes towards probing aromatic indoliums","Nature Communications","2016","7","","11489","","10.1038/ncomms11489","","","0.710747","MoKα","","0.063","0.0579","","","0.1447","0.149","","","","","","1.092","","","","has coordinates","203482","2020-10-21","18:00:00",""
"1548165","13.435","0.003","15.565","0.003","35.747","0.007","90","","97.59","0.03","90","","7410","3","173","2","173","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C156 H124 Au8 B2 Cl6 F8 N2 P8 -","- C156 H124 Au8 B2 Cl6 F8 N2 P8 -","- C312 H248 Au16 B4 Cl12 F16 N4 P16 -","2","0.5","","Jun Yuan; Tingting Sun; Xin He; Ke An; Jun Zhu; Liang Zhao","Synthesis of tetra- and octa-aurated heteroaryl complexes towards probing aromatic indoliums","Nature Communications","2016","7","","11489","","10.1038/ncomms11489","","","0.71073","MoKα","","0.087","0.0755","","","0.1966","0.2067","","","","","","1.161","","","","has coordinates,has disorder","203483","2020-10-21","18:00:00",""
"1548190","6.8269","0.0004","11.8121","0.0007","39.687","0.003","90","","90","","90","","3200.4","0.4","290","2","290","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","(2aS,4S,5'R,6aS,6bS,8aS,8bR,9S,10R,11aS,12aS,12bR)-5',6a,8a,9-tetramethyl-4-(4-p","","- C37 H54 O3 -","- C37 H54 O3 -","- C148 H216 O12 -","4","1","","Xi Lu; Bin Xiao; Zhenqi Zhang; Tianjun Gong; Wei Su; Jun Yi; Yao Fu; Lei Liu","Practical carbon?carbon bond formation from olefins through nickel-catalyzed reductive olefin hydrocarbonation","Nature Communications","2016","7","","11129","","10.1038/ncomms11129","","","1.54184","CuKα","","0.0721","0.0534","","","0.1236","0.145","","","","","","1.074","","","","has coordinates","203526","2020-10-21","18:00:00",""
"1548191","11.197","0.0001","11.9551","0.0001","14.1022","0.0002","90","","108.316","0.001","90","","1792.1","0.04","291","2","291","2","","","","","","","","7","P 1 21 1","P 2yb","4","","(1S,2S,4S,5R)-2-((R)-quinolin-4-yl((trimethylsilyl)oxy)methyl)-5-(2-(1-tosylpipe","","- C34 H50 Cl N3 O4 S Si -","- C34 H50 Cl N3 O4 S Si -","- C68 H100 Cl2 N6 O8 S2 Si2 -","2","1","","Xi Lu; Bin Xiao; Zhenqi Zhang; Tianjun Gong; Wei Su; Jun Yi; Yao Fu; Lei Liu","Practical carbon?carbon bond formation from olefins through nickel-catalyzed reductive olefin hydrocarbonation","Nature Communications","2016","7","","11129","","10.1038/ncomms11129","","","1.54184","CuKα","","0.0866","0.0854","","","0.2767","0.2802","","","","","","1.085","","","","has coordinates,has disorder","203527","2020-10-21","18:00:00",""
"1548192","28.9075","0.0003","29.7016","0.0002","78.032","0.0009","90","","90","","90","","66998.2","1.1","100","","100","","","","","","","","","8","P c a b","-P 2bc 2ac","61","","","","- C229.5 H354 Cr14 Cu F28 N4 Ni2 O70.5 -","- C229.5 H354 Cr14 Cu F28 N4 Ni2 O70.5 -","- C1836 H2832 Cr112 Cu8 F224 N32 Ni16 O564 -","8","1","","Antonio Fernandez; Jesus Ferrando-Soria; Eufemio Moreno Pineda; Floriana Tuna; Inigo J. Vitorica-Yrezabal; Christiane Knappke; Jakub Ujma; Christopher A. Muryn; Grigore A. Timco; Perdita E. Barran; Arzhang Ardavan; Richard E.P. Winpenny","Making hybrid [n]-rotaxanes as supramolecular arrays of molecular electron spin qubits","Nature Communications","2016","7","","10240","","10.1038/ncomms10240","","","1.54184","CuKα","","0.1588","0.1164","","","0.3052","0.3377","","","","","","1.025","","","","has coordinates,has disorder","203528","2020-10-21","18:00:00",""
"1548193","25.5047","0.0005","31.7138","0.0004","31.7614","0.0005","73.3116","0.0013","86.822","0.0014","78.9831","0.0014","24154.7","0.7","100","","100","","","","","","","","","9","P -1","-P 1","2","","","","- C336 H561 Co Cr21 F24 Fe2 N6 Ni3 O109 -","- C336 H561 Co0.9999 Cr21 F24 Fe2.0001 N6 Ni3 O109 -","- C672 H1122 Co1.9998 Cr42 F48 Fe4.0002 N12 Ni6 O218 -","2","1","","Antonio Fernandez; Jesus Ferrando-Soria; Eufemio Moreno Pineda; Floriana Tuna; Inigo J. Vitorica-Yrezabal; Christiane Knappke; Jakub Ujma; Christopher A. Muryn; Grigore A. Timco; Perdita E. Barran; Arzhang Ardavan; Richard E.P. Winpenny","Making hybrid [n]-rotaxanes as supramolecular arrays of molecular electron spin qubits","Nature Communications","2016","7","","10240","","10.1038/ncomms10240","","x-ray","0.6889","","","0.1133","0.0635","","","0.1597","0.1999","","","","","","0.995","","","","has coordinates,has disorder","203529","2020-10-21","18:00:00",""
"1548194","24.4826","0.0009","27.8069","0.0011","28.5719","0.0009","103.388","0.003","98.656","0.003","115.074","0.004","16443","1.3","100","2","100","2","","","","","","","","9","P -1","-P 1","2","","","","- C518 H842 Cr28 Cu2 F32 N6 Ni4 O136 S2 -","- C518 H842 Cr28.16 Cu2 F32 N6 Ni4.16 O136 S2 -","- C518 H842 Cr28.16 Cu2 F32 N6 Ni4.16 O136 S2 -","1","0.5","","Antonio Fernandez; Jesus Ferrando-Soria; Eufemio Moreno Pineda; Floriana Tuna; Inigo J. Vitorica-Yrezabal; Christiane Knappke; Jakub Ujma; Christopher A. Muryn; Grigore A. Timco; Perdita E. Barran; Arzhang Ardavan; Richard E.P. Winpenny","Making hybrid [n]-rotaxanes as supramolecular arrays of molecular electron spin qubits","Nature Communications","2016","7","","10240","","10.1038/ncomms10240","","","1.54184","CuKα","","0.1572","0.0913","","","0.2478","0.2958","","","","","","1.023","","","","has coordinates","203530","2020-10-21","18:00:00",""
"1548195","17.4882","0.0005","31.3959","0.0007","57.0602","0.0015","78.323","0.002","84.724","0.002","89.6349","0.0019","30548.6","1.4","293","2","293","2","","","","","","","","9","P -1","-P 1","2","","","","- C430 H719 Cr28 Cu F32 N8 Ni4 O134 S2 -","- C429.503 H718.078 Cr28 Cu0.9995 F32 N7.999 Ni4 O134 S2 -","- C859.006 H1436.16 Cr56 Cu1.999 F64 N15.998 Ni8 O268 S4 -","2","1","","Antonio Fernandez; Jesus Ferrando-Soria; Eufemio Moreno Pineda; Floriana Tuna; Inigo J. Vitorica-Yrezabal; Christiane Knappke; Jakub Ujma; Christopher A. Muryn; Grigore A. Timco; Perdita E. Barran; Arzhang Ardavan; Richard E.P. Winpenny","Making hybrid [n]-rotaxanes as supramolecular arrays of molecular electron spin qubits","Nature Communications","2016","7","","10240","","10.1038/ncomms10240","","x-ray","0.71073","MoKα","","0.229","0.1727","","","0.4375","0.4833","","","","","","1.462","","","","has coordinates,has disorder","203531","2020-10-21","18:00:00",""
"1548196","25.5619","0.0002","25.5619","0.0002","12.5769","0.0002","90","","90","","90","","8217.88","0.16","150","2","150","2","","","","","","","","6","P 41","P 4w","76","","","","- C41.5 H31 F12 N7 P2 Ru -","- C41.5 H31 F12 N7 P2 Ru -","- C332 H248 F96 N56 P16 Ru8 -","8","2","","Kai Wu; Kang Li; Ya-Jun Hou; Mei Pan; Lu-Yin Zhang; Ling Chen; Cheng-Yong Su","Homochiral D4-symmetric metal-organic cages from stereogenic Ru(II) metalloligands for effective enantioseparation of atropisomeric molecules","Nature Communications","2016","7","","10487","","10.1038/ncomms10487","","","0.71073","MoKα","","0.0772","0.0678","","","0.1681","0.1759","","","","","","1.05","","","","has coordinates,has disorder","216710","2020-10-21","18:00:00",""
"1548197","13.8114","0.0002","14.0525","0.0002","20.7957","0.0003","90","","90","","90","","4036.13","0.1","150","2","150","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C40 H24 Cl2 N8 O15 Ru -","- C40 H24 Cl2 N8 O15 Ru -","- C160 H96 Cl8 N32 O60 Ru4 -","4","1","","Kai Wu; Kang Li; Ya-Jun Hou; Mei Pan; Lu-Yin Zhang; Ling Chen; Cheng-Yong Su","Homochiral D4-symmetric metal-organic cages from stereogenic Ru(II) metalloligands for effective enantioseparation of atropisomeric molecules","Nature Communications","2016","7","","10487","","10.1038/ncomms10487","","","1.54178","CuKα","","0.0462","0.0438","","","0.1168","0.1195","","","","","","1.027","","","","has coordinates","203533","2020-10-21","18:00:00",""
"1548198","13.7734","0.0002","14.0148","0.0002","20.71","0.0003","90","","90","","90","","3997.68","0.1","150","2","150","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C40 H18 Cl2 N8 O15 Ru -","- C40 H18 Cl2 N8 O15 Ru -","- C160 H72 Cl8 N32 O60 Ru4 -","4","1","","Kai Wu; Kang Li; Ya-Jun Hou; Mei Pan; Lu-Yin Zhang; Ling Chen; Cheng-Yong Su","Homochiral D4-symmetric metal-organic cages from stereogenic Ru(II) metalloligands for effective enantioseparation of atropisomeric molecules","Nature Communications","2016","7","","10487","","10.1038/ncomms10487","","","1.54184","CuKα","","0.0424","0.0409","","","0.1069","0.1084","","","","","","1.032","","","","has coordinates,has disorder","203534","2020-10-21","18:00:00",""
"1548199","25.5802","0.0001","25.5802","0.0001","12.5709","0.0001","90","","90","","90","","8225.73","0.08","150","2","150","2","","","","","","","","6","P 43","P 4cw","78","","","","- C41.5 H31 F12 N7 P2 Ru -","- C41.5 H31 F12 N7 P2 Ru -","- C332 H248 F96 N56 P16 Ru8 -","8","2","","Kai Wu; Kang Li; Ya-Jun Hou; Mei Pan; Lu-Yin Zhang; Ling Chen; Cheng-Yong Su","Homochiral D4-symmetric metal-organic cages from stereogenic Ru(II) metalloligands for effective enantioseparation of atropisomeric molecules","Nature Communications","2016","7","","10487","","10.1038/ncomms10487","","","0.71073","MoKα","","0.0509","0.0408","","","0.0996","0.1071","","","","","","1.025","","","","has coordinates,has disorder","216710","2020-10-21","18:00:00",""
"1548200","32.2284","0.0004","32.2284","0.0004","38.2801","0.0007","90","","90","","90","","39760.4","1","150","2","150","2","","","","","","","","6","I 4 2 2","I 4 2","97","","","","- C512 H320 N120 O8 Pd6 Ru8 -","- C512 H320 N120 O8 Pd6 Ru8 -","- C1024 H640 N240 O16 Pd12 Ru16 -","2","0.125","","Kai Wu; Kang Li; Ya-Jun Hou; Mei Pan; Lu-Yin Zhang; Ling Chen; Cheng-Yong Su","Homochiral D4-symmetric metal-organic cages from stereogenic Ru(II) metalloligands for effective enantioseparation of atropisomeric molecules","Nature Communications","2016","7","","10487","","10.1038/ncomms10487","","x-ray","1.54184","","","0.1199","0.0711","","","0.1898","0.2375","","","","","","1.008","","","","has coordinates","203537","2020-10-21","18:00:00",""
"1548201","32.5722","0.0006","32.5722","0.0006","38.7258","0.0009","90","","90","","90","","41086.1","1.4","150","2","150","2","","","","","","","","6","I 4 2 2","I 4 2","97","","","","- C512 H320 N120 O8 Pd6 Ru8 -","- C512 H320 N120 O8 Pd6 Ru8 -","- C1024 H640 N240 O16 Pd12 Ru16 -","2","0.125","","Kai Wu; Kang Li; Ya-Jun Hou; Mei Pan; Lu-Yin Zhang; Ling Chen; Cheng-Yong Su","Homochiral D4-symmetric metal-organic cages from stereogenic Ru(II) metalloligands for effective enantioseparation of atropisomeric molecules","Nature Communications","2016","7","","10487","","10.1038/ncomms10487","","x-ray","1.54184","CuKα","","0.1523","0.0913","","","0.2275","0.268","","","","","","1.038","","","","has coordinates","203538","2020-10-21","18:00:00",""
"1548202","12.153","0.002","15.986","0.003","18.29","0.003","90","","90","","90","","3553.3","1.1","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C28 H52 Co N6 O8 S4 -","- C28 H52 Co N6 O8 S4 -","- C112 H208 Co4 N24 O32 S16 -","4","1","","Yvonne Rechkemmer; Frauke D. Breitgoff; Margarethe van der Meer; Mihail Atanasov; Michael Hakl; Milan Orlita; Petr Neugebauer; Frank Neese; Biprajit Sarkar; Joris van Slageren","A four-coordinate cobalt(II) single-ion magnet with coercivity and a very high energy barrier","Nature Communications","2016","7","","10467","","10.1038/ncomms10467","","","0.71073","MoKα","","0.0201","0.0193","","","0.0527","0.0531","","","","","","1.032","","","","has coordinates","203539","2020-10-21","18:00:00",""
"1548206","8.889","0.009","5.114","0.005","16.291","0.015","90","","100.396","0.016","90","","728.4","1.2","93","","93","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H20 Fe N2 O4 -","- C14 H18 Fe N2 O4 -","- C28 H36 Fe2 N4 O8 -","2","0.5","","Masanori Wakizaka; Takeshi Matsumoto; Ryota Tanaka; Ho-Chol Chang","Dehydrogenation of anhydrous methanol at room temperature by o-aminophenol-based photocatalysts","Nature Communicatons","2016","7","","12333","","10.1038/ncomms12333","","","0.71075","MoKα","","","0.0576","","","","0.1559","","","","","","1.194","","","","has coordinates","203543","2020-10-21","18:00:00",""
"1548207","9.665","0.006","9.683","0.006","12.954","0.007","82.699","0.015","80.834","0.013","89.75","0.015","1187","1.2","183","","200","","","","","","","","","5","P -1","-P 1","2","","","","- C12 H14 Cu N2 O3 -","- C12 H12 Cu N2 O3 -","- C48 H48 Cu4 N8 O12 -","4","2","","Masanori Wakizaka; Takeshi Matsumoto; Ryota Tanaka; Ho-Chol Chang","Dehydrogenation of anhydrous methanol at room temperature by o-aminophenol-based photocatalysts","Nature Communicatons","2016","7","","12333","","10.1038/ncomms12333","","","0.71075","MoKα","","","0.0623","","","","0.1869","","","","","","1.075","","","","has coordinates","203544","2020-10-21","18:00:00",""
"1548253","9.19","0.001","30.098","0.003","10.4179","0.0011","90","","102.688","0.003","90","","2811.2","0.5","103","2","103","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C35 H32 B2 N4 -","- C35 H32 B2 N4 -","- C140 H128 B8 N16 -","4","2","","Baolin Wang; Yongxin Li; Rakesh Ganguly; Hajime Hirao; Rei Kinjo","Ambiphilic boron in 1,4,2,5-diazadiborinine","Nature Communications","2016","7","","11871","","10.1038/ncomms11871","","","0.71073","MoKα","","0.0926","0.0665","","","0.1485","0.1648","","","","","","1.009","","","","has coordinates","203686","2020-10-21","18:00:00",""
"1548254","7.4966","0.0007","14.1674","0.0014","26.033","0.002","90","","95.734","0.003","90","","2751.1","0.4","103","2","103","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C31.5 H29 B2 Br N4 -","- C31.5 H29 B2 Br N4 -","- C126 H116 B8 Br4 N16 -","4","1","","Baolin Wang; Yongxin Li; Rakesh Ganguly; Hajime Hirao; Rei Kinjo","Ambiphilic boron in 1,4,2,5-diazadiborinine","Nature Communications","2016","7","","11871","","10.1038/ncomms11871","","","0.71073","MoKα","","0.0992","0.0546","","","0.0985","0.1113","","","","","","1.064","","","","has coordinates,has disorder","203687","2020-10-21","18:00:00",""
"1548255","7.5717","0.0011","13.808","0.002","27.35","0.004","90","","96.647","0.005","90","","2840.2","0.7","103","2","103","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C31 H32 B2 Cl N5 O -","- C31 H32 B2 Cl N5 O -","- C124 H128 B8 Cl4 N20 O4 -","4","1","","Baolin Wang; Yongxin Li; Rakesh Ganguly; Hajime Hirao; Rei Kinjo","Ambiphilic boron in 1,4,2,5-diazadiborinine","Nature Communications","2016","7","","11871","","10.1038/ncomms11871","","","0.71073","MoKα","","0.137","0.0695","","","0.1359","0.1643","","","","","","1.024","","","","has coordinates","203688","2020-10-21","18:00:00",""
"1548256","6.7243","0.0002","8.4506","0.0004","9.7798","0.0004","76.647","0.003","85.978","0.002","66.7788","0.0019","496.77","0.04","103","2","103","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H20 B2 Cl2 N4 -","- C20 H20 B2 Cl2 N4 -","- C20 H20 B2 Cl2 N4 -","1","0.5","","Baolin Wang; Yongxin Li; Rakesh Ganguly; Hajime Hirao; Rei Kinjo","Ambiphilic boron in 1,4,2,5-diazadiborinine","Nature Communications","2016","7","","11871","","10.1038/ncomms11871","","","0.71073","MoKα","","0.0722","0.0475","","","0.1146","0.1259","","","","","","1.025","","","","has coordinates","203689","2020-10-21","18:00:00",""
"1548257","28.875","0.004","8.473","0.0015","19.549","0.003","90","","132.202","0.004","90","","3543","1","103","2","103","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C20 H20 B2 N4 -","- C20 H20 B2 N4 -","- C160 H160 B16 N32 -","8","1","","Baolin Wang; Yongxin Li; Rakesh Ganguly; Hajime Hirao; Rei Kinjo","Ambiphilic boron in 1,4,2,5-diazadiborinine","Nature Communications","2016","7","","11871","","10.1038/ncomms11871","","","0.71073","MoKα","","0.0913","0.0538","","","0.1094","0.1261","","","","","","1.015","","","","has coordinates","203690","2020-10-21","18:00:00",""
"1548258","7.2251","0.0007","14.5333","0.0012","22.5468","0.0019","90","","91.921","0.005","90","","2366.2","0.4","153","2","153","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C22 H23 B2 F3 N4 O3 S -","- C22 H23 B2 F3 N4 O3 S -","- C88 H92 B8 F12 N16 O12 S4 -","4","1","","Baolin Wang; Yongxin Li; Rakesh Ganguly; Hajime Hirao; Rei Kinjo","Ambiphilic boron in 1,4,2,5-diazadiborinine","Nature Communications","2016","7","","11871","","10.1038/ncomms11871","","","0.71073","MoKα","","0.1568","0.0757","","","0.1838","0.2325","","","","","","1.016","","","","has coordinates","203691","2020-10-21","18:00:00",""
"1548259","29.987","0.003","7.0147","0.0007","25.999","0.003","90","","110.164","0.004","90","","5133.7","0.9","103","2","103","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C26 H33 B3 N4 O2 -","- C26 H33 B3 N4 O2 -","- C208 H264 B24 N32 O16 -","8","1","","Baolin Wang; Yongxin Li; Rakesh Ganguly; Hajime Hirao; Rei Kinjo","Ambiphilic boron in 1,4,2,5-diazadiborinine","Nature Communications","2016","7","","11871","","10.1038/ncomms11871","","","0.71073","MoKα","","0.1059","0.0544","","","0.1129","0.1375","","","","","","1.019","","","","has coordinates","203692","2020-10-21","18:00:00",""
"1548260","20.534","0.008","18.455","0.007","7.417","0.003","90","","94.979","0.009","90","","2800.1","1.9","103","2","103","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C32 H32 B2 N4 Si -","- C32 H32 B2 N4 Si -","- C128 H128 B8 N16 Si4 -","4","1","","Baolin Wang; Yongxin Li; Rakesh Ganguly; Hajime Hirao; Rei Kinjo","Ambiphilic boron in 1,4,2,5-diazadiborinine","Nature Communications","2016","7","","11871","","10.1038/ncomms11871","","","0.71073","MoKα","","0.1793","0.0752","","","0.1387","0.1811","","","","","","0.989","","","","has coordinates","203693","2020-10-21","18:00:00",""
"1548261","8.115","0.0008","13.162","0.0013","16.232","0.0016","106.603","0.003","102.639","0.003","104.799","0.003","1524.6","0.3","103","2","103","2","","","","","","","","6","P -1","-P 1","2","","","","- C35 H32 B2 F2 N4 P -","- C35 H32 B2 F2 N4 P -","- C70 H64 B4 F4 N8 P2 -","2","1","","Baolin Wang; Yongxin Li; Rakesh Ganguly; Hajime Hirao; Rei Kinjo","Ambiphilic boron in 1,4,2,5-diazadiborinine","Nature Communications","2016","7","","11871","","10.1038/ncomms11871","","","0.71073","MoKα","","0.1264","0.0635","","","0.1222","0.1462","","","","","","1.037","","","","has coordinates","203694","2020-10-21","18:00:00",""
"1548262","15.071","0.005","8.378","0.003","14.966","0.005","90","","90","","90","","1889.7","1.1","103","2","103","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C21 H20 B2 N4 O2 -","- C21 H20 B2 N4 O2 -","- C84 H80 B8 N16 O8 -","4","1","","Baolin Wang; Yongxin Li; Rakesh Ganguly; Hajime Hirao; Rei Kinjo","Ambiphilic boron in 1,4,2,5-diazadiborinine","Nature Communications","2016","7","","11871","","10.1038/ncomms11871","","","0.71073","MoKα","","0.2159","0.0847","","","0.146","0.1894","","","","","","1.013","","","","has coordinates,has disorder","203695","2020-10-21","18:00:00",""
"1548263","8.2613","0.0014","23.616","0.004","12.724","0.003","90","","106.778","0.005","90","","2376.8","0.8","103","2","103","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C28 H28 B2 N4 -","- C28 H28 B2 N4 -","- C112 H112 B8 N16 -","4","1","","Baolin Wang; Yongxin Li; Rakesh Ganguly; Hajime Hirao; Rei Kinjo","Ambiphilic boron in 1,4,2,5-diazadiborinine","Nature Communications","2016","7","","11871","","10.1038/ncomms11871","","","0.71073","MoKα","","0.1287","0.063","","","0.1307","0.1594","","","","","","1.008","","","","has coordinates","203696","2020-10-21","18:00:00",""
"1548340","7.4477","","9.5989","","9.6888","","90","","90","","90","","692.65","","293","","293","","","","","","","","","3","F d d d :2","-F 2uv 2vw","70","","","","- Cl16 Cu16 O8 -","- Cl16 Cu16 O8 -","- Cl16 Cu16 O8 -","1","0.03125","","Li Zhao; Maria Teresa Fernandez-Diaz; Liu Hao Tjeng; Alexander C. Komarek","Oxyhalides: A new class of high-TC multiferroic materials","Science Advances","2016","2","","1600353","","10.1126/sciadv.1600353","","x-ray","0.71069","MoKα","","0.0308","0.0256","","","0.0689","0.072","","","","2.53","2.53","2.39","","","","has coordinates","203825","2020-10-21","18:00:00",""
"1548341","42.105","0.008","12.613","0.003","24.741","0.005","90","","90.15","0.03","90","","13139","5","173","2","173","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C79 H64.5 B Cl2 F4 O0.5 Os P3 -","- C79 H64.5 B Cl2 F4 O0.25 Os P3 -","- C632 H516 B8 Cl16 F32 O2 Os8 P24 -","8","1","","Congqing Zhu; Caixia Yang; Yongheng Wang; Gan Lin; Yuhui Yang; Xiaoyong Wang; Jun Zhu; Xiaoyuan Chen; Xin Lu; Gang Liu; Haiping Xia","CCCCC pentadentate chelates with planar Mobius aromaticity and unique properties","Science Advances","2016","2","","1601031","","10.1126/sciadv.1601031","","","0.71073","MoKα","","0.038","0.0326","","","0.0819","0.0853","","","","","","1.084","","","","has coordinates","203826","2020-10-21","18:00:00",""
"1548342","13.14","0.003","18.625","0.004","26.176","0.005","90","","96.12","0.03","90","","6370","2","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C78 H74 B F4 Os P3 -","- C78 H74 B F4 Os P3 -","- C312 H296 B4 F16 Os4 P12 -","4","1","","Congqing Zhu; Caixia Yang; Yongheng Wang; Gan Lin; Yuhui Yang; Xiaoyong Wang; Jun Zhu; Xiaoyuan Chen; Xin Lu; Gang Liu; Haiping Xia","CCCCC pentadentate chelates with planar Mobius aromaticity and unique properties","Science Advances","2016","2","","1601031","","10.1126/sciadv.1601031","","","0.71073","MoKα","","0.0522","0.0368","","","0.0737","0.1101","","","","","","1.216","","","","has coordinates","203827","2020-10-21","18:00:00",""
"1548343","9.938","0.002","24.307","0.005","25.357","0.005","108.68","0.03","96.47","0.03","96.12","0.03","5699","2","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C68.5 H59 B Cl F4 Os P3 -","- C68.5 H59 B Cl F4 Os P3 -","- C274 H236 B4 Cl4 F16 Os4 P12 -","4","2","","Congqing Zhu; Caixia Yang; Yongheng Wang; Gan Lin; Yuhui Yang; Xiaoyong Wang; Jun Zhu; Xiaoyuan Chen; Xin Lu; Gang Liu; Haiping Xia","CCCCC pentadentate chelates with planar Mobius aromaticity and unique properties","Science Advances","2016","2","","1601031","","10.1126/sciadv.1601031","","","0.71073","MoKα","","0.0796","0.0494","","","0.0993","0.1086","","","","","","1.013","","","","has coordinates","214153","2020-10-21","18:00:00",""
"1548364","9.7625","0.0004","10.5921","0.0003","14.2369","0.0005","76.453","0.003","73.12","0.003","67.988","0.003","1292.94","0.09","293","2","293.15","","","","","","","","","5","P -1","-P 1","2","","","","- C31 H21 N4 O3 Pd -","- C31 H21 N4 O3 Pd -","- C62 H42 N8 O6 Pd2 -","2","1","","Gang Liao; Xue-Song Yin; Kai Chen; Qi Zhang; Shuo-Qing Zhang; Bing-Feng Shi","Stereoselective alkoxycarbonylation of unactivated C(sp3)-H bonds with alkyl chloroformates via Pd(II)/Pd(IV) catalysis","Nature Communications","2016","7","","12901","","10.1038/ncomms12901","","","0.71073","MoKα","","0.057","0.0508","","","0.1118","0.1143","","","","","","1.194","","","","has coordinates,has disorder","203927","2020-10-21","18:00:00",""
"1548365","7.7318","0.0004","14.2451","0.0008","21.9203","0.0017","90","","90","","90","","2414.3","0.3","170.5","","170.5","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C29 H23 N3 O5 -","- C29 H23 N3 O5 -","- C116 H92 N12 O20 -","4","1","","Gang Liao; Xue-Song Yin; Kai Chen; Qi Zhang; Shuo-Qing Zhang; Bing-Feng Shi","Stereoselective alkoxycarbonylation of unactivated C(sp3)-H bonds with alkyl chloroformates via Pd(II)/Pd(IV) catalysis","Nature Communications","2016","7","","12901","","10.1038/ncomms12901","","","0.71073","MoKα","","0.0591","0.0414","","","0.0932","0.1079","","","","","","1.124","","","","has coordinates","203928","2020-10-21","18:00:00",""
"1548366","7.6735","0.0005","14.4087","0.0011","21.653","0.002","90","","90","","90","","2394.1","0.3","293","2","293.15","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C28 H21 N3 O5 -","- C28 H21 N3 O5 -","- C112 H84 N12 O20 -","4","1","","Gang Liao; Xue-Song Yin; Kai Chen; Qi Zhang; Shuo-Qing Zhang; Bing-Feng Shi","Stereoselective alkoxycarbonylation of unactivated C(sp3)-H bonds with alkyl chloroformates via Pd(II)/Pd(IV) catalysis","Nature Communications","2016","7","","12901","","10.1038/ncomms12901","","","0.71073","MoKα","","0.0558","0.04","","","0.0937","0.1024","","","","","","1.037","","","","has coordinates","203929","2020-10-21","18:00:00",""
"1548367","7.7205","0.0004","14.332","0.0009","22.282","0.001","90","","90","","90","","2465.5","0.2","293","2","293.15","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C29 H22 F N3 O5 -","- C29 H22 F N3 O5 -","- C116 H88 F4 N12 O20 -","4","1","","Gang Liao; Xue-Song Yin; Kai Chen; Qi Zhang; Shuo-Qing Zhang; Bing-Feng Shi","Stereoselective alkoxycarbonylation of unactivated C(sp3)-H bonds with alkyl chloroformates via Pd(II)/Pd(IV) catalysis","Nature Communications","2016","7","","12901","","10.1038/ncomms12901","","","0.71073","MoKα","","0.0512","0.0369","","","0.0878","0.0983","","","","","","1.057","","","","has coordinates","203930","2020-10-21","18:00:00",""
"1548368","10.4773","0.0006","11.3275","0.0006","15.9059","0.0008","90","","90","","90","","1887.74","0.18","293","2","293.15","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C22 H17 N3 O5 -","- C22 H17 N3 O5 -","- C88 H68 N12 O20 -","4","1","","Gang Liao; Xue-Song Yin; Kai Chen; Qi Zhang; Shuo-Qing Zhang; Bing-Feng Shi","Stereoselective alkoxycarbonylation of unactivated C(sp3)-H bonds with alkyl chloroformates via Pd(II)/Pd(IV) catalysis","Nature Communications","2016","7","","12901","","10.1038/ncomms12901","","","0.71073","MoKα","","0.0441","0.0337","","","0.079","0.0847","","","","","","1.05","","","","has coordinates","203931","2020-10-21","18:00:00",""
"1548370","20.8082","0.0004","24.0721","0.0004","26.2995","0.0004","80.2288","0.0013","72.5101","0.0015","75.3058","0.0015","12090.9","0.4","100.01","0.1","100.01","0.1","","","","","","","","3","P -1","-P 1","2","(CCCC)-1&(AAAA)-1","","","- C228 H288 N12 -","- C228 H287.999 N12 -","- C456 H575.999 N24 -","2","1","","Xinchang Wang; Yu Wang; Huayan Yang; Hongxun Fang; Ruixue Chen; Yibin Sun; Nanfeng Zheng; Kai Tan; Xin Lu; Zhongqun Tian; Xiaoyu Cao","Assembled molecular face-rotating polyhedra to transfer chirality from two to three dimensions","Nature Communications","2016","7","","12469","","10.1038/ncomms12469","","","1.54184","CuKα","","0.1089","0.0955","","","0.2889","0.3075","","","","","","1.098","","","","has coordinates,has disorder","203933","2020-10-21","18:00:00",""
"1548371","23.3017","0.0003","23.3017","0.0003","51.4329","0.0007","90","","90","","120","","24185","0.5","100","2","100.15","","","","","","","","","3","R 3","R 3","146","(AAAA)-2","","","- C252 H324 N12 -","- C252 H324 N12 -","- C756 H972 N36 -","3","","","Xinchang Wang; Yu Wang; Huayan Yang; Hongxun Fang; Ruixue Chen; Yibin Sun; Nanfeng Zheng; Kai Tan; Xin Lu; Zhongqun Tian; Xiaoyu Cao","Assembled molecular face-rotating polyhedra to transfer chirality from two to three dimensions","Nature Communications","2016","7","","12469","","10.1038/ncomms12469","","","1.54178","CuKα","","0.1069","0.096","","","0.2428","0.2551","","","","","","0.982","","","","has coordinates,has disorder","203934","2020-10-21","18:00:00",""
"1548372","23.1134","0.0009","23.1134","0.0009","52.322","0.003","90","","90","","120","","24207.1","1.9","100.01","0.1","100.01","0.1","","","","","","","","3","R 3","R 3","146","(CAAA)-2","","","- C252 H324 N12 -","- C252 H324 N12 -","- C756 H972 N36 -","3","","","Xinchang Wang; Yu Wang; Huayan Yang; Hongxun Fang; Ruixue Chen; Yibin Sun; Nanfeng Zheng; Kai Tan; Xin Lu; Zhongqun Tian; Xiaoyu Cao","Assembled molecular face-rotating polyhedra to transfer chirality from two to three dimensions","Nature Communications","2016","7","","12469","","10.1038/ncomms12469","","","1.54184","CuKα","","0.0823","0.0696","","","0.1906","0.2059","","","","","","0.935","","","","has coordinates,has disorder","203935","2020-10-21","18:00:00",""
"1548373","23.121","0.002","23.121","0.002","51.666","0.002","90","","90","","120","","23919","3","100.01","0.1","100.01","0.1","","","","","","","","3","R 3","R 3","146","(CCCC)-3","","","- C252 H324 N12 -","- C252 H324 N12 -","- C756 H972 N36 -","3","","","Xinchang Wang; Yu Wang; Huayan Yang; Hongxun Fang; Ruixue Chen; Yibin Sun; Nanfeng Zheng; Kai Tan; Xin Lu; Zhongqun Tian; Xiaoyu Cao","Assembled molecular face-rotating polyhedra to transfer chirality from two to three dimensions","Nature Communications","2016","7","","12469","","10.1038/ncomms12469","","x-ray","1.54184","CuKα","","0.1038","0.0725","","","0.1663","0.185","","","","","","0.811","","","","has coordinates,has disorder","203936","2020-10-21","18:00:00",""
"1548374","23.2072","0.0006","23.2072","0.0006","52.1786","0.0011","90","","90","","120","","24337.1","1","100.15","","100.15","","","","","","","","","3","R 3","R 3","146","(CCCA)-3","","","- C252 H324 N12 -","- C252 H324 N12 -","- C756 H972 N36 -","3","","","Xinchang Wang; Yu Wang; Huayan Yang; Hongxun Fang; Ruixue Chen; Yibin Sun; Nanfeng Zheng; Kai Tan; Xin Lu; Zhongqun Tian; Xiaoyu Cao","Assembled molecular face-rotating polyhedra to transfer chirality from two to three dimensions","Nature Communications","2016","7","","12469","","10.1038/ncomms12469","","","1.54184","CuKα","","0.0763","0.0646","","","0.1752","0.1855","","","","","","0.941","","","","has coordinates,has disorder","203937","2020-10-21","18:00:00",""
"1548412","10.0193","0.0005","11.4723","0.0006","10.4263","0.0005","90","","92.079","0.003","90","","1197.66","0.1","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","SBP-20160126","","","- C23 H26 N6 O6 S -","- C23 H26 N6 O6 S -","- C46 H52 N12 O12 S2 -","2","1","","Jonghoon Kim; Jinjoo Jung; Jaeyoung Koo; Wansang Cho; Won Seok Lee; Chanwoo Kim; Wonwoo Park; Seung Bum Park","Diversity-oriented synthetic strategy for developing a chemical modulator of protein-protein interaction","Nature Communications","2016","7","","13196","","10.1038/ncomms13196","","","0.71073","","","0.317","0.138","","","0.2464","0.3164","","","","","","1.07","","","","has coordinates","204148","2020-10-21","18:00:00",""
"1548448","11.5577","0.0005","16.8408","0.0007","24.6521","0.0009","90","","90","","90","","4798.3","0.3","","","293.15","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C25 H40 O5 Si -","- C25 H40 O5 Si -","- C200 H320 O40 Si8 -","8","1","","Jing Gong; Huan Chen; Xiao-Yu Liu; Zhi-Xiu Wang; Wei Nie; Yong Qin","Total synthesis of atropurpuran","Nature Communications","2016","7","","12183","","10.1038/ncomms12183","","x-ray","0.71073","MoKα","","0.0699","0.0479","","","0.1143","0.127","","","","","","1.037","","","","has coordinates","204215","2020-10-21","18:00:00",""
"1548449","15.4318","0.0012","20.696","0.002","19.97","0.005","90","","99.256","0.014","90","","6294.9","1.8","127","2","127","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C68.08 H67 Cl2.12 Fe N8 O4 -","- C68.08 H67 Cl2.12 Fe N8 O4 -","- C272.32 H268 Cl8.48 Fe4 N32 O16 -","4","1","","Judith A. Serth-Guzzo; Ilona Turowska-Tyrk; Martin K. Safo; F. Ann Walker; Peter G. Debrunner; W. Robert Scheidt","Characterization of the mixed axial ligand complex (4-cyanopyridine)(imidazole)(tetramesitylporphinato)iron(iii) perchlorate. Stabilization by synergic bonding","Journal of Porphyrins and Phthalocyanines","2016","20","","254","264","10.1142/S1088424616500206","","","0.71073","MoKα","","0.1685","0.0864","","0.2609","","0.2095","","","1.051","","","1.202","","","","has coordinates","204216","2020-10-21","18:00:00",""
"1548450","13.146","0.0013","29.598","0.003","8.1392","0.0006","90","","90","","90","","3166.9","0.5","100","","100","","","","","","","","","4","I b a 2","I 2 -2c","45","","(E)-1-(2-amino-4.5-dimethoxyphenyl)-3-(4-methoxyphenyl)-prop-2-en-1-one","","- C18 H19 N O4 -","- C18 H19 N O4 -","- C144 H152 N8 O32 -","8","1","","Chiara Sulpizio; Alexander Roller; Gerald Giester; Annette Rompel","Synthesis, structure, and antioxidant activity of methoxy- and hydroxyl-substituted 2'-aminochalcones","Monatshefte Fur Chemie","2016","147","","1747","1757","10.1007/s00706-016-1812-9","","","0.71073","MoKα","","0.0602","0.0403","","","0.0867","0.0943","","","","","","1.033","","","","has coordinates","204219","2020-10-21","18:00:00",""
"1548451","18.877","0.004","16.644","0.003","19.387","0.004","90","","91.781","0.01","90","","6088","2","200","","200","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(E)-1-(2-aminophenyl)-3-(4-hydroxyphenyl)prop-2-en-1-one","","- C15 H13 N O2 -","- C15 H13 N O2 -","- C300 H260 N20 O40 -","20","5","","Chiara Sulpizio; Alexander Roller; Gerald Giester; Annette Rompel","Synthesis, structure, and antioxidant activity of methoxy- and hydroxyl-substituted 2'-aminochalcones","Monatshefte Fur Chemie","2016","147","","1747","1757","10.1007/s00706-016-1812-9","","","0.71073","MoKα","","0.1182","0.0579","","","0.1314","0.1596","","","","","","1.025","","","","has coordinates","204220","2020-10-21","18:00:00",""
"1548452","13.0528","0.0003","8.3014","0.0002","14.8105","0.0004","90","","101.605","0.001","90","","1572.01","0.07","","","100","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C30 H54 N4 O8 -","- C30 H42 N4 O8 -","- C60 H84 N8 O16 -","2","1","","Li-Na Liu; Jian-Qiang Ran; Li-Jun Li; Yu Zhao; Masuo Goto; Susan L. Morris-Natschke; Kuo-Hsiung Lee; Bao-Yu Zhao; Cheng-Jian Tan","Ochrocephalamine A, a new quinolizidine alkaloid from Oxytropis ochrocephala Bunge","Tetrahedron Letters","2016","57","","5047","5049","10.1016/j.tetlet.2016.10.009","","x-ray","1.54178","CuKα","","0.0542","0.0538","","","0.1398","0.1402","","","","","","3.704","","","","has coordinates","204221","2020-10-21","18:00:00",""
"1548453","8.81155","0.00006","12.58714","0.00009","8.55975","0.00006","90","","90","","90","","949.381","0.011","","","10","","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C H0.378 D5.622 I3 N Pb -","- C H0.378 D5.622 I3 N Pb -","- C4 H1.512 D22.488 I12 N4 Pb4 -","4","0.5","","P. S. Whitfield; N. Herron; W. E. Guise; K. Page; Y. Q. Cheng; I. Milas; M. K. Crawford","Structures, Phase Transitions and Tricritical Behavior of the Hybrid Perovskite Methyl Ammonium Lead Iodide","Scientific Reports","2016","6","","35685","","10.1038/srep35685","powder diffraction","neutron","","","","","","","","","","","","","","","2.71","","","","has coordinates","204239","2020-10-21","18:00:00",""
"1548467","8.79948","0.00006","8.79948","0.00006","12.6882","0.0001","90","","90","","90","","982.458","0.012","","","190","","","","","","","","","6","I 4/m c m","-I 4 2c","140","","","","- C H0.378 D5.622 I3 N Pb -","- C H0.384 D5.616 I3 N Pb -","- C4 H1.536 D22.464 I12 N4 Pb4 -","4","0.125","","P. S. Whitfield; N. Herron; W. E. Guise; K. Page; Y. Q. Cheng; I. Milas; M. K. Crawford","Structures, Phase Transitions and Tricritical Behavior of the Hybrid Perovskite Methyl Ammonium Lead Iodide","Scientific Reports","2016","6","","35685","","10.1038/srep35685","powder diffraction","neutron","","","","","","","","","","","","","","","2.52","","","","has coordinates","204284","2020-10-21","18:00:00",""
"1548468","6.30649","0.00003","6.30649","0.00003","6.30649","0.00003","90","","90","","90","","250.821","0.002","","","350","","","","","","","","","6","P m -3 m","-P 4 2 3","221","","","","- C H0.378 D5.622 I3 N Pb -","- C0.498 H0.192 D2.808 I1.5 N0.498 Pb0.499 -","- C0.996 H0.384 D5.616 I3 N0.996 Pb0.998 -","2","0.0416667","","P. S. Whitfield; N. Herron; W. E. Guise; K. Page; Y. Q. Cheng; I. Milas; M. K. Crawford","Structures, Phase Transitions and Tricritical Behavior of the Hybrid Perovskite Methyl Ammonium Lead Iodide","Scientific Reports","2016","6","","35685","","10.1038/srep35685","powder diffraction","neutron","","","","","","","","","","","","","","","1.97","","","","has coordinates","204285","2020-10-21","18:00:00",""
"1548481","11.3922","0.0007","16.9725","0.0011","17.7886","0.0011","90","","94.059","0.002","90","","3430.9","0.4","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C42 H31.5 Cr N O3 P2 S -","- C42 H30 Cr N0.5 O3 P2 S -","- C168 H120 Cr4 N2 O12 P8 S4 -","4","1","","Mastalir, Matthias; Schweinzer, Clara; Weil, Matthias; Pittenauer, Ernst; Allmaier, Günter; Kirchner, Karl","A chromium tricarbonyl complex featuring the 4,6-bis(diphenylphosphinomethyl)dibenzothiophene (PSPPh) ligand","Monatshefte für Chemie","2016","147","7","1183","1187","10.1007/s00706-016-1707-9","","","0.71073","MoKα","","0.0559","0.0368","","","0.0856","0.0955","","","","","","1.041","","","","has coordinates","210729","2020-10-21","18:00:00",""
"1548482","18.8083","0.0009","18.8083","0.0009","5.8941","0.0004","90","","90","","120","","1805.71","0.17","93","2","93","2","","","","","","","","6","P 31","P 31","144","","","","- C24 H26 F3 N3 O2 S -","- C24 H26 F3 N3 O2 S -","- C72 H78 F9 N9 O6 S3 -","3","1","","Jeffrey A. Boerth; Joshua R. Hummel; Jonathan A. Ellman","Highly Stereoselective Co(III)-Catalyzed Three-Component C-H Bond Addition Cascade","Angewandte Chemie International Edition Engl.","2016","55","","12650","12654","10.1002/anie.201603831","","","1.54178","CuKα","","0.036","0.0312","","","0.0718","0.0739","","","","","","1.038","","","","has coordinates","204352","2020-10-21","18:00:00",""
"1548483","6.10754","0.0001","15.2412","0.0003","20.5393","0.0004","90","","95.0631","0.0016","90","","1904.47","0.06","93","2","93","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C21 H28 N2 O2 -","- C21 H28 N2 O2 -","- C84 H112 N8 O8 -","4","1","","Jeffrey A. Boerth; Joshua R. Hummel; Jonathan A. Ellman","Highly Stereoselective Co(III)-Catalyzed Three-Component C-H Bond Addition Cascade","Angewandte Chemie International Edition Engl.","2016","55","","12650","12654","10.1002/anie.201603831","","","1.54184","CuKα","","0.0361","0.0343","","","0.0853","0.0869","","","","","","1.02","","","","has coordinates","204353","2020-10-21","18:00:00",""
"1548484","6.613","0.005","25.081","0.019","30.74","0.02","90","","90","","90","","5099","6","293","2","93.15","","","","","","","","","7","P 21 c n","P -2n 2a","33","","","","- C49 H36 F6 Mn2 N4 O10 S2 -","- C49 H36 F6 Mn2 N4 O10 S2 -","- C196 H144 F24 Mn8 N16 O40 S8 -","4","1","","Ahmed Fetoh; Goulven Cosquer; Masakazu Morimoto; Masahiro Irie; Ola El-Gammal; Gaber Abu El-Reash; Brian K. Breedlove; Masahiro Yamashita","Photo-activation of Single Molecule Magnet Behavior in a Manganese-based Complex","Scientific Reports","2016","6","","23785","","10.1038/srep23785","","","0.710747","MoKα","","0.4995","0.3013","","","0.5092","0.6549","","","","","","1.188","","","","has coordinates","204354","2020-10-21","18:00:00",""
"1548485","6.5329","0.0008","26.757","0.004","30.62","0.004","90","","90","","90","","5352.4","1.2","93.15","","93.15","","","","","","","","","7","P 21 c n","P -2n 2a","33","","","","- C53 H52 F6 Mn2 N4 O12 S2 -","- C53 H52 F6 Mn2 N4 O12 S2 -","- C212 H208 F24 Mn8 N16 O48 S8 -","4","1","","Ahmed Fetoh; Goulven Cosquer; Masakazu Morimoto; Masahiro Irie; Ola El-Gammal; Gaber Abu El-Reash; Brian K. Breedlove; Masahiro Yamashita","Photo-activation of Single Molecule Magnet Behavior in a Manganese-based Complex","Scientific Reports","2016","6","","23785","","10.1038/srep23785","","","0.710747","MoKα","","0.1261","0.0745","","","0.0945","0.1158","","","","","","1.037","","","","has coordinates","204355","2020-10-21","18:00:00",""
"1548497","8.3364","0.0001","9.3709","0.0002","21.315","0.0005","90","","90","","90","","1665.12","0.06","173","2","173","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","Sesquiterpene","","","- C17 H26 O4 -","- C17 H26 O4 -","- C68 H104 O16 -","4","1","","Wen-Jian Lan; Sheng-Jiao Fu; Meng-Yang Xu; Wan-Ling Liang; Chi-Keung Lam; Guo-Hua Zhong; Jun Xu; De-Po Yang; Hou-Jin Li","Five New Cytotoxic Metabolites from the Marine Fungus Neosartorya pseudofischeri","Marine Drugs","2016","14","","18","","10.3390/md14010018","","","1.54178","CuKα","","0.0349","0.0326","","","0.0838","0.086","","","","","","1.048","","","","has coordinates","204398","2020-10-21","18:00:00",""
"1548528","24.1896","0.0007","24.1896","0.0007","28.4068","0.0017","90","","90","","90","","16621.9","1.2","100","","100","","","","","","","","","6","I 41/a :1","I 4bw -1bw","88","","","","- C33 H35 Cl2 Fe N3 P2 -","- C33 H35 Cl2 Fe N3 P2 -","- C528 H560 Cl32 Fe16 N48 P32 -","16","1","","Christian Schroder-Holzhacker; Nikolaus Gorgas; Berthold Stoger; Karl Kirchner","Synthesis and reactivity of BINEPINE-based chiral Fe(II) PNP pincer complexes","Monatshefte Fur Chemie","2016","147","","1023","1030","10.1007/s00706-016-1706-x","","x-ray","0.71069","MoKα","","0.098","0.0763","","","0.0947","0.0967","","","","4.09","4.09","3.5","","","","has coordinates","204448","2020-10-21","18:00:00",""
"1548529","6.7424","0.0005","17.1958","0.0014","9.2973","0.0007","90","","102.425","0.0017","90","","1052.69","0.14","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C22 H31 Cl2 N -","- C22 H31 Cl2 N -","- C44 H62 Cl4 N2 -","2","1","","Shaolin Zhu; Nootaree Niljianskul; Stephen L. Buchwald","A direct approach to amines with remote stereocenters by enantioselective CuH-catalysed reductive relay hydroamination","Nature Chemistry","2016","8","","144","150","10.1038/nchem.2418","","","0.71073","MoKα","","0.0351","0.0321","","","0.0801","0.0821","","","","","","1.056","","","","has coordinates","204449","2020-10-21","18:00:00",""
"1548530","15.802","0.003","7.0481","0.0016","19.53","0.004","90","","96.341","0.01","90","","2161.8","0.8","105","2","105","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C25 H12 F6 N2 O6 -","- C25 H12 F6 N2 O6 -","- C100 H48 F24 N8 O24 -","4","1","","Shit, Shyamapada; Nandy, Madhusudan; Rizzoli, Corrado; Desplanches, Cédric; Mitra, Samiran","Crystal structure, characterization and magnetic properties of a 1D copper(II) polymer incorporating a Schiff base with carboxylate side arm","Journal of Chemical Sciences","2016","128","6","913","920","10.1007/s12039-016-1082-4","","","0.71073","MoKα","","0.0913","0.0599","","","0.1198","0.1333","","","","","","1.025","","","","has coordinates","210730","2020-10-21","18:00:00",""
"1548555","10.73257","0.00016","23.2562","0.0003","9.76351","0.00017","90","","105.393","0.0017","90","","2349.55","0.06","130","2","130","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H27 N5 O5 Zn -","- C22 H27 N5 O5 Zn -","- C88 H108 N20 O20 Zn4 -","4","1","","Marina Barsukova; Tatiana Goncharova; Denis Samsonenko; Danil Dybtsev; Andrei Potapov","Synthesis, Crystal Structure, and Luminescent Properties of New Zinc(II) and Cadmium(II) Metal-Organic Frameworks Based on Flexible Bis(imidazol-1-yl)alkane Ligands","Crystals","2016","6","","132","","10.3390/cryst6100132","","x-ray","0.71073","MoKα","","0.0409","0.0374","","","0.1059","0.1082","","","","","","1.075","","","","has coordinates","204579","2020-10-21","18:00:00",""
"1548556","10.8546","0.0003","23.6261","0.0007","9.6799","0.0003","90","","104.14","0.003","90","","2407.22","0.13","130","2","130","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H27 Cd N5 O5 -","- C22 H27 Cd N5 O5 -","- C88 H108 Cd4 N20 O20 -","4","1","","Marina Barsukova; Tatiana Goncharova; Denis Samsonenko; Danil Dybtsev; Andrei Potapov","Synthesis, Crystal Structure, and Luminescent Properties of New Zinc(II) and Cadmium(II) Metal-Organic Frameworks Based on Flexible Bis(imidazol-1-yl)alkane Ligands","Crystals","2016","6","","132","","10.3390/cryst6100132","","x-ray","0.71073","MoKα","","0.0317","0.0268","","","0.0607","0.0628","","","","","","1.09","","","","has coordinates","204580","2020-10-21","18:00:00",""
"1548557","15.123","0.005","18.806","0.005","20.722","0.004","90","","90","","90","","5893","3","120","2","120","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C20 H22 N4 O4 Zn -","- C20 H22 N4 O4 Zn -","- C240 H264 N48 O48 Zn12 -","12","3","","Marina Barsukova; Tatiana Goncharova; Denis Samsonenko; Danil Dybtsev; Andrei Potapov","Synthesis, Crystal Structure, and Luminescent Properties of New Zinc(II) and Cadmium(II) Metal-Organic Frameworks Based on Flexible Bis(imidazol-1-yl)alkane Ligands","Crystals","2016","6","","132","","10.3390/cryst6100132","","","1.54184","CuKα","","0.2661","0.1719","","","0.4597","0.5394","","","","","","1.76","","","","has coordinates","204581","2020-10-21","18:00:00",""
"1548558","9.2444","0.001","10.0116","0.0008","14.4659","0.0013","107.371","0.008","91.269","0.008","116.622","0.01","1123.1","0.2","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C21 H26 Cd N4 O5 -","- C21 H26 Cd N4 O5 -","- C42 H52 Cd2 N8 O10 -","2","1","","Marina Barsukova; Tatiana Goncharova; Denis Samsonenko; Danil Dybtsev; Andrei Potapov","Synthesis, Crystal Structure, and Luminescent Properties of New Zinc(II) and Cadmium(II) Metal-Organic Frameworks Based on Flexible Bis(imidazol-1-yl)alkane Ligands","Crystals","2016","6","","132","","10.3390/cryst6100132","","x-ray","1.54184","CuKα","","0.0503","0.0487","","","0.1236","0.1292","","","","","","1.055","","","","has coordinates","204582","2020-10-21","18:00:00",""
"1548581","13.6605","0.0017","14.7195","0.0018","17.277","0.002","86.231","0.005","68.978","0.005","80.007","0.005","3193.5","0.7","140","","143.99","","","","","","","","","4","P -1","-P 1","2","","","","- C81 H68 N4 O8 -","- C81 H68 N4 O8 -","- C162 H136 N8 O16 -","2","1","","Dong Shi; Xiang Qin; Yuan Li; Yao He; Cheng Zhong; Jun Pan; Huanli Dong; Wei Xu; Tao Li; Wenping Hu; Jean-Luc Bredas; Osman M. Bakr","Spiro-OMeTAD single crystals: Remarkably enhanced charge-carrier transport via mesoscale ordering","Science Advances","2016","2","","1501491","","10.1126/sciadv.1501491","","","1.54178","CuKα","","0.0445","0.0414","","","0.1052","0.1079","","","","","","1.0467","","","","has coordinates","214153","2020-10-21","18:00:00",""
"1548618","3.018","","3.018","","3.018","","90","","90","","90","","27.489","","1381","","","","9600000","","","","","","","2","P m -3 m","-P 4 2 3","221","","","","- Al Ti -","- Al Ti -","- Al Ti -","1","0.0208333","","Liss, Klaus-Dieter; Funakoshi, Ken-Ichi; Dippenaar, Rian; Higo, Yuji; Shiro, Ayumi; Reid, Mark; Suzuki, Hiroshi; Shobu, Takahisa; Akita, Koichi","Hydrostatic Compression Behavior and High-Pressure Stabilized β-Phase in γ-Based Titanium Aluminide Intermetallics","Metals","2016","6","7","165","","10.3390/met6070165","","","","","","0","","","0","","","","","0","","","","","","","has coordinates","281933","2023-03-17","18:17:25",""
"1548641","21.107","0.006","50.004","0.01","7.9376","0.0017","90","","90","","90","","8378","3","","","293","","","","","","","","","5","F d d 2","F 2 -2d","43","","","","- C23 H28 B F2 N3 -","- C23 H28 B F2 N3 -","- C368 H448 B16 F32 N48 -","16","1","","Wenming Ren; Mingming Xu; Steven H. Liang; Huaijiang Xiang; Li Tang; Minkui Zhang; Dejun Ding; Xin Li; Haiyan Zhang; Youhong Hu","Discovery of a Novel Fluorescent Probe for the Sensitive Detection of beta-Amyloid Deposits","Biosensors and Bioelectronics","2016","75","","136","141","10.1016/j.bios.2015.08.030","","x-ray","0.71069","MoKα","","","0.06","","","0.135","","","","","","","0.95","","","","has coordinates","204978","2020-10-21","18:00:00",""
"1549532","8.002","0.0008","12.2548","0.0007","14.0384","0.0009","100.282","0.005","94.515","0.007","95.596","0.006","1341.57","0.18","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H41 Co2 N8 O13 -","- C14 H41 Co2 N8 O13 -","- C28 H82 Co4 N16 O26 -","2","1","","Köferstein, Roberto; Robl, Christian","Synthesis, Crystal Structure, and Hydrogen Bonding of μ-Hydroxo-μ-peroxo-bis[bis(ethylenediamine)cobalt(III)] Squarate","Zeitschrift für anorganische und allgemeine Chemie","2016","642","7","560","","10.1002/zaac.201600080","","","0.71073","MoKα","","0.0409","0.0345","","0.0679","0.0665","","","","1.706","1.776","1.776","","","","","has coordinates","208273","2020-10-21","18:00:00",""
"1549550","14.836","0.002","6.6844","0.0008","4.363","0.0006","90","","93.28","0.02","90","","431.97","0.1","293","2","293","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C H5.2 Cu O4.6 P -","- C H2 Cu O4.6 P -","- C4 H8 Cu4 O18.4 P4 -","4","0.5","","Köferstein, Roberto; Arnold, Michael; Robl, Christian","A Novel Three-Dimensional Copper(II) 1,2-Ethylenediphosphonate Framework with Channel-like Voids","Zeitschrift für anorganische und allgemeine Chemie","2016","642","19","1126","","10.1002/zaac.201600248","","","0.71073","MoKα","","0.0509","0.0465","","0.1156","0.1124","","","","1.368","1.418","1.418","","","","","has coordinates","208341","2020-10-21","18:00:00",""
"1551314","2.861","0.0004","9.8123","0.0005","12.5425","0.0011","90","","90","","90","","352.11","0.06","4","","4","","","","","","","","","2","P 1 21/m 1 (c,2*a+c,b)","-P 2yb (-1/2*x+z,1/2*x,y)","11","","iron (II,III) oxide","","- Fe4 O5 -","- Fe4 O5 -","- Fe16 O20 -","4","","","Sergey V. Ovsyannikov; Maxim Bykov; Elena Bykova; Denis P. Kozlenko; Alexander A. Tsirlin; Alexander E. Karkin; Vladimir V. Shchennikov; Sergey E. Kichanov; Huiyang Gou; Artem M. Abakumov; Ricardo Egoavil; Johan Verbeeck; Catherine McCammon; Vadim Dyadkin; Dmitry Chernyshov; Sander van Smaalen; Leonid S. Dubrovinsky","Charge-ordering transition in iron oxide Fe4O5 involving competing dimer and trimer formation","Nature Chemistry","2016","8","","501","508","10.1038/nchem.2478","","x-ray","0.68884","synchrotron","","0.0582","0.0518","","","0.0845","0.085","","","","4.27","4.27","3.62","","","","has coordinates","215811","2020-10-21","18:00:00",""
"1551315","8.583","0.0004","39.2492","0.0005","12.5425","0.0011","90","","90","","90","","4225.3","0.4","","","","","","","","","","","","2","P 1","P 1","1","","","","- Fe4 O5 -","- Fe48 O60 -","- Fe192 O240 -","4","4","","Sergey V. Ovsyannikov; Maxim Bykov; Elena Bykova; Denis P. Kozlenko; Alexander A. Tsirlin; Alexander E. Karkin; Vladimir V. Shchennikov; Sergey E. Kichanov; Huiyang Gou; Artem M. Abakumov; Ricardo Egoavil; Johan Verbeeck; Catherine McCammon; Vadim Dyadkin; Dmitry Chernyshov; Sander van Smaalen; Leonid S. Dubrovinsky","Charge-ordering transition in iron oxide Fe4O5 involving competing dimer and trimer formation","Nature Chemistry","2016","8","","501","508","10.1038/nchem.2478","","","","","","","","","","","","","","","","","","","","","has coordinates","215812","2020-10-21","18:00:00",""
"1551316","8.9571","0.0009","5.9973","0.0006","9.1546","0.0009","90","","90","","90","","491.77","0.08","300","2","300.15","","","","","","","","","5","P m n 21","P 2ac -2","31","","quinuclidinium perrhenate","","- C7 H14 N O4 Re -","- C7 H14 N O4 Re -","- C14 H28 N2 O8 Re2 -","2","0.5","","Jun Harada; Takafumi Shimojo; Hideaki Oyamaguchi; Hiroyuki Hasegawa; Yukihiro Takahashi; Koichiro Satomi; Yasutaka Suzuki; Jun Kawamata; Tamotsu Inabe","Directionally tunable and mechanically deformable ferroelectric crystals from rotating polar globular ionic molecules","Nature Chemistry","2016","8","","946","952","10.1038/nchem.2567","","","0.71073","MoKα","","0.0148","0.0147","","","0.0368","0.0368","","","","","","1.152","","","","has coordinates","215813","2020-10-21","18:00:00",""
"1551317","6.36","0.002","6.36","0.002","6.36","0.002","89.912","0.003","89.912","0.003","89.912","0.003","257.26","0.14","350","","350","","","","","","","","","5","R 3 m :R","P 3* -2","160","","quinuclidinium perrhenate","","- C7 H14 N O4 Re -","- C6.9993 N0.9999 O4.0002 Re -","- C6.9993 N0.9999 O4.0002 Re -","1","0.166667","","Jun Harada; Takafumi Shimojo; Hideaki Oyamaguchi; Hiroyuki Hasegawa; Yukihiro Takahashi; Koichiro Satomi; Yasutaka Suzuki; Jun Kawamata; Tamotsu Inabe","Directionally tunable and mechanically deformable ferroelectric crystals from rotating polar globular ionic molecules","Nature Chemistry","2016","8","","946","952","10.1038/nchem.2567","","","0.71073","MoKα","","0.0255","0.0255","","","0.0624","0.0624","","","","","","1.154","","","","has coordinates","215814","2020-10-21","18:00:00",""
"1551318","6.3881","0.0011","6.3881","0.0011","6.3881","0.0011","90","","90","","90","","260.68","0.08","380","","380","","","","","","","","","5","P m -3 m","-P 4 2 3","221","","quinuclidinium perrhenate","","- C7 H14 N O4 Re -","- C7.9992 O4 Re -","- C7.9992 O4 Re -","1","0.0208333","","Jun Harada; Takafumi Shimojo; Hideaki Oyamaguchi; Hiroyuki Hasegawa; Yukihiro Takahashi; Koichiro Satomi; Yasutaka Suzuki; Jun Kawamata; Tamotsu Inabe","Directionally tunable and mechanically deformable ferroelectric crystals from rotating polar globular ionic molecules","Nature Chemistry","2016","8","","946","952","10.1038/nchem.2567","","","0.71073","MoKα","","0.0381","0.0375","","","0.0994","0.1","","","","","","1.179","","","","has coordinates","215815","2020-10-21","18:00:00",""
"1551372","10.4819","0.0003","10.4819","0.0003","57.62","0.002","90","","90","","90","","6330.7","0.3","147","2","147","2","","","","","","","","4","P 41 21 2","P 4abw 2nw","92","","","","- C28 H42 N7 O6.5 -","- C28 H42 N7 O6.5 -","- C224 H336 N56 O52 -","8","1","","John R. Frost; Conor C. G. Scully; Andrei K. Yudin","Oxadiazole grafts in peptide macrocycles","Nature Chemistry","2016","8","","1105","1111","10.1038/nchem.2636","","","1.54178","CuKα","","0.0399","0.0386","","","0.0992","0.1","","","","","","1.082","","","","has coordinates,has disorder","215890","2020-10-21","18:00:00",""
"1551397","7.5075","0.0008","15.2605","0.0016","7.4436","0.0008","90","","90","","90","","852.8","0.16","298","2","298","2","","","","","","","","5","C m m m","-C 2 2","65","","","","- C14 H10 Fe N6 Pt -","- C14 H10 Fe N6 Pt -","- C28 H20 Fe2 N12 Pt2 -","2","0.125","","Shun Sakaida; Kazuya Otsubo; Osami Sakata; Chulho Song; Akihiko Fujiwara; Masaki Takata; Hiroshi Kitagawa","Crystalline coordination framework endowed with dynamic gate-opening behaviour by being downsized to a thin film","Nature Chemistry","2016","8","","377","383","10.1038/nchem.2469","","","0.71073","MoKα","","0.0072","0.0072","","","0.0173","0.0173","","","","","","1.014","","","","has coordinates","215926","2020-10-21","18:00:00",""
"1551446","12.1881","0.0003","24.5629","0.0006","12.5908","0.0003","90","","117.009","0.002","90","","3358.27","0.15","100","","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C31 H44 Cl N7 O8 -","- C31 H44 Cl N7 O8 -","- C124 H176 Cl4 N28 O32 -","4","1","","Hongyu Li; Hennie Valkenier; Luke W. Judd; Peter R. Brotherhood; Sabir Hussain; James A. Cooper; Ondrej Jurcek; Hazel A. Sparkes; David N. Sheppard; Anthony P. Davis","Efficient, non-toxic anion transport by synthetic carriers in cells and epithelia","Nature Chemistry","2016","8","","24","32","10.1038/nchem.2384","","","0.71073","MoKα","","0.0706","0.0433","","","0.0889","0.0994","","","","","","1.019","","","","has coordinates","216014","2020-10-21","18:00:00",""
"1551504","9.8867","0.0006","25.51","0.0012","24.7353","0.0014","90","","90.22","0.02","90","","6238.4","0.6","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C61.5 H F S3 -","- C61.5 F S3 -","- C492 F8 S24 -","8","2","","Andrea Krachmalnicoff; Richard Bounds; Salvatore Mamone; Shamim Alom; Maria Concistre; Benno Meier; Karel Kouril; Mark E. Light; Mark R. Johnson; Stephane Rols; Anthony J. Horsewill; Anna Shugai; Urmas Nagel; Toomas Room; Marina Carravetta; Malcolm H. Levitt; Richard J. Whitby","The dipolar endofullerene HF@C60","Nature Chemistry","2016","8","","953","957","10.1038/nchem.2563","","x-ray","0.71073","MoKα","","0.1682","0.0878","","","0.1911","0.2368","","","","","","1.017","","","","has coordinates","275434","2022-05-16","05:31:56",""
"1551505","27.2747","0.0012","38.8257","0.0017","42.232","0.002","90","","108.089","0.003","90","","42512","3","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","M8L12 cubic cage with benzisoxazole guest","","","- C367 H317 B16 Co8 F64 N73 O25 -","- C367 H317 B12 Co8 F48 N73 O25 -","- C1468 H1268 B48 Co32 F192 N292 O100 -","4","0.5","","William Cullen; M. Cristina Misuraca; Christopher A. Hunter; Nicholas H. Williams; Michael D. Ward","Highly efficient catalysis of the Kemp elimination in the cavity of a cubic coordination cage","Nature Chemistry","2016","8","","231","236","10.1038/nchem.2452","","","0.71073","MoKα","","0.2881","0.1561","","","0.4039","0.4535","","","","","","1.104","","","","has coordinates","216108","2020-10-21","18:00:00",""
"1551597","7.8868","0.0002","8.1577","0.0003","16.1069","0.0005","85.5626","0.0019","77.79","0.002","67.5381","0.0018","936","0.05","113","","113","","","","","","","","","5","P -1","-P 1","2","","","","- C17 H21 N O5 S2 -","- C17 H21 N O5 S2 -","- C34 H42 N2 O10 S4 -","2","1","","NAGASE, Hiromasa; KOBAYASHI, Masaru; UEDA, Haruhisa; FURUISHI, Takayuki; GUNJI, Mihoko; ENDO, Tomohiro; YONEMOCHI, Etsuo","Crystal Structure of an Epalrestat Dimethanol Solvate","X-ray Structure Analysis Online","2016","32","0","7","","10.2116/xraystruct.32.7","","","1.54187","CuKα","","0.0658","0.0558","","","0.1637","0.173","","","","","","1.178","","","","has coordinates","216207","2020-10-21","18:00:00",""
"1551598","6.345","0.002","9.631","0.004","7.805","0.003","90","","112.462","0.005","90","","440.8","0.3","90","2","90","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C10 H12 N2 O -","- C10 H12 N2 O -","- C20 H24 N4 O2 -","2","1","","MITSUHASHI, Ryoji; UEDA, Takaaki; HOSOYA, Satoshi; MIKURIYA, Masahiro","Synthesis and Crystal Structure of (<i>R</i>)-2-(4-Methylimidazolin-2-yl)phenol","X-ray Structure Analysis Online","2016","32","0","59","","10.2116/xraystruct.32.59","","","0.71073","MoKα","","0.0438","0.0346","","","0.0746","0.0787","","","","","","1.02","","","","has coordinates","216208","2020-10-21","18:00:00",""
"1551599","23.6829","0.0013","7.5558","0.0004","24.1777","0.0013","90","","90","","90","","4326.4","0.4","295","2","295","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C10 H9 Br N4 O -","- C10 H9 Br N4 O -","- C160 H144 Br16 N64 O16 -","16","2","","HWANG, Long-Chih; CHUANG, Chung-Lin; SU, Chun-Wei; LEE, Gene-Hsiang","Packing of Two Independent Molecules: 3-Amino-2-benzyl-6-bromo-1,2,4-triazin-5(2<i>H</i>)-one","X-ray Structure Analysis Online","2016","32","0","33","","10.2116/xraystruct.32.33","","","0.71073","MoKα","","0.1003","0.0527","","","0.1161","0.1348","","","","","","1.06","","","","has coordinates","216209","2020-10-21","18:00:00",""
"1551600","8.616","0.005","22.925","0.012","8.991","0.005","90","","94.415","0.006","90","","1770.6","1.7","173","","173","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C10 H28 Cl2 N2 O2 Ru S2 -","- C10 H28 Cl2 N2 O2 Ru S2 -","- C40 H112 Cl8 N8 O8 Ru4 S8 -","4","1","","TOYAMA, Mari; IWATSUKI, Satoshi; NAGAO, Noriharu","Crystal Structure of <i>Trans</i>(Cl),<i>cis</i>(S)-dichlorobis(dimethyl sulfoxide-<i>S</i>)(<i>N,N,N</i>′,<i>N</i>′-tetramethylethylenediamine)ruthenium(II)","X-ray Structure Analysis Online","2016","32","0","25","","10.2116/xraystruct.32.25","","","0.71075","MoKα","","0.0668","0.054","","","0.1305","0.1359","","","","","","1.015","","","","has coordinates","216211","2020-10-21","18:00:00",""
"1551601","8.7375","0.0016","9.3944","0.0017","11.712","0.002","107.747","0.003","93.435","0.003","91.447","0.003","913","0.3","240","2","240","2","","","","","","","synthesis","3","P -1","-P 1","2","ocpf","","","- C20 H18 O10 -","- C20 H18 O10 -","- C40 H36 O20 -","2","1","","YAMAGUCHI, Takako; HOSHINO, Mitsuru; MIYACHI, Kanako; KAMINO, Shinichiro; NAKAHARA, Ryousuke; DOI, Mitsunobu; ASANO, Mamiko; MATSUMURA, Hitoshi; FUJITA, Yoshikazu","Crystal Structure of <i>o</i>-Carboxyphenylfluorone as a Multifunctional Dye","X-ray Structure Analysis Online","2016","32","0","9","","10.2116/xraystruct.32.9","","","0.71073","MoKα","","0.0842","0.074","","","0.215","0.2267","","","","","","1.104","","","","has coordinates,has disorder","216212","2020-10-21","18:00:00",""
"1551602","27.234","0.007","7.4964","0.0017","6.8201","0.0018","90","","93.803","0.018","90","","1389.3","0.6","123","","123","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C30 H42 N2 O4 -","- C30 H42 N2 O4 -","- C60 H84 N4 O8 -","2","0.5","","KUBO, Kanji; YAMAMOTO, Emi; MATSUMOTO, Taisuke; MORI, Akira","Crystal Structure of <i>N,N</i>′-Bis(4-hexyloxybenzoyl)piperazine","X-ray Structure Analysis Online","2016","32","0","19","","10.2116/xraystruct.32.19","","","1.54187","CuKα","","","0.0633","","","","0.1337","","","","","","0.829","","","","has coordinates","216213","2020-10-21","18:00:00",""
"1551603","10.799","0.005","11.339","0.005","11.703","0.005","109.294","0.009","114.158","0.007","102.452","0.009","1127","0.9","90","2","90","2","","","","","","","","6","P -1","-P 1","2","","","","- C34 H62 N2 O20 S2 V4 -","- C34 H62 N2 O20 S2 V4 -","- C34 H62 N2 O20 S2 V4 -","1","0.5","","MIKURIYA, Masahiro; FUKUTANI, Masami; OMOTE, Masataka; YOSHIOKA, Daisuke; MITSUHASHI, Ryoji","Synthesis and Crystal Structure of a Tetranuclear Oxidovanadium(IV) Complex with 2,6-Bis(hydroxymethyl)-4-methylphenol","X-ray Structure Analysis Online","2016","32","0","15","","10.2116/xraystruct.32.15","","","0.71073","MoKα","","0.085","0.0548","","","0.1025","0.1126","","","","","","0.985","","","","has coordinates","216214","2020-10-21","18:00:00",""
"1551604","6.8192","0.0017","9.204","0.003","10.178","0.003","108.65","0.03","106.23","0.02","92.71","0.03","574.6","0.3","123","","123","","","","","","","","","4","P -1","-P 1","2","","","","- C26 H34 N2 O4 -","- C26 H34 N2 O4 -","- C26 H34 N2 O4 -","1","0.5","","KUBO, Kanji; YAMAMOTO, Emi; MATSUMOTO, Taisuke; MORI, Akira","Crystal Structure of <i>N,N</i>′-Bis(5-butoxytropon-2-yl)piperazine","X-ray Structure Analysis Online","2016","32","0","37","","10.2116/xraystruct.32.37","","","0.71075","MoKα","","","0.0455","","","","0.1089","","","","","","1.085","","","","has coordinates","216215","2020-10-21","18:00:00",""
"1551605","30.231","0.005","9.2503","0.0014","22.083","0.003","90","","90","","90","","6175.4","1.6","90","2","90","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C66 H82 B2 N6 O6 Zn -","- C66 H82 B2 N6 O6 Zn -","- C264 H328 B8 N24 O24 Zn4 -","4","1","","ITO, Misaki; MITSUHASHI, Ryoji; MIKURIYA, Masahiro; SAKIYAMA, Hiroshi","Crystal Structure of a Trigonally Compressed Hexakis-DMF Zinc(II) Complex","X-ray Structure Analysis Online","2016","32","0","21","","10.2116/xraystruct.32.21","","","0.71073","MoKα","","0.0601","0.0365","","","0.0672","0.0744","","","","","","0.634","","","","has coordinates","216216","2020-10-21","18:00:00",""
"1551606","16.669","0.004","9.933","0.002","26.907","0.006","90","","90","","90","","4455.1","1.7","188","2","188","1","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C24 H27 B Ge O2 -","- C24 H27 B Ge O2 -","- C192 H216 B8 Ge8 O16 -","8","2","","BOWES, Eric G.; VOGELS, Christopher M.; DECKEN, Andreas; WESTCOTT, Stephen A.","Synthesis and Molecular Structure of Ph<sub>3</sub>GeBO<sub>2</sub>C<sub>2</sub>Me<sub>4</sub>","X-ray Structure Analysis Online","2016","32","0","35","","10.2116/xraystruct.32.35","","x-ray","0.71073","MoKα","","0.0665","0.0463","","","0.1077","0.1196","","","","","","1.06","","","","has coordinates","216217","2020-10-21","18:00:00",""
"1551607","6.432","0.003","10.098","0.005","22.74","0.011","90","0.009","90","0.009","90","0.009","1477","1.2","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C10 H16 Co K N2 O10 -","- C10 H12 Co K N2 O10 -","- C40 H48 Co4 K4 N8 O40 -","4","1","","MITSUHASHI, Ryoji; MIKURIYA, Masahiro","Synthesis and Crystal Structure of Potassium Ethylenediaminetetraacetato-cobaltate(III)","X-ray Structure Analysis Online","2016","32","0","5","","10.2116/xraystruct.32.5","","","0.71073","MoKα","","0.0308","0.0283","","","0.0714","0.0722","","","","","","1.038","","","","has coordinates","216218","2020-10-21","18:00:00",""
"1551608","6.716","0.001","8.323","0.002","9.453","0.002","82.75","0.02","86.17","0.01","68.75","0.01","488.41","0.18","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C10 H8 F N O4 -","- C10 H8 F N O4 -","- C20 H16 F2 N2 O8 -","2","1","","GUILLON, Jean; RONGA, Luisa; MARCHIVIE, Mathieu; MOREAU, Stéphane","Crystal Structure of (<i>E</i>)-1-(3,4-Methylenedioxy-6-fluorophenyl)-2-nitropropene","X-ray Structure Analysis Online","2016","32","0","23","","10.2116/xraystruct.32.23","","","1.5418","CuKα","","0.0514","0.0439","","","0.1255","0.134","","","","","","1.065","","","","has coordinates","216219","2020-10-21","18:00:00",""
"1551609","14.915","0.0018","10.2522","0.0012","26.964","0.004","90","","103.127","0.003","90","","4015.4","0.9","90","2","90","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C43 H47 B N2 O7 Zn2 -","- C43 H47 B N2 O7 Zn2 -","- C172 H188 B4 N8 O28 Zn8 -","4","1","","ITO, Misaki; MITSUHASHI, Ryoji; MIKURIYA, Masahiro; SAKIYAMA, Hiroshi","Crystal Structure of a Dinuclear Zinc(II) Complex with a Phenol-based Dinucleating Ligand","X-ray Structure Analysis Online","2016","32","0","13","","10.2116/xraystruct.32.13","","","0.71073","MoKα","","0.0608","0.0351","","","0.0594","0.0631","","","","","","0.801","","","","has coordinates","216220","2020-10-21","18:00:00",""
"1551610","13.277","0.002","5.2887","0.0007","21.962","0.005","90","","99.542","0.006","90","","1520.8","0.5","100","2","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H20 N O3 P -","- C16 H20 N O3 P -","- C64 H80 N4 O12 P4 -","4","1","","HAMZEHEE, Farahnaz; POURAYOUBI, Mehrdad; CHOQUESILLO-LAZARTE, Duane","Synthesis, Spectroscopic Study and Crystal Structure of a New Amidophosphonate, (C<sub>6</sub>H<sub>5</sub>O)<sub>2</sub>P(O)(NHCH(CH<sub>3</sub>)(C<sub>2</sub>H<sub>5</sub>))","X-ray Structure Analysis Online","2016","32","0","47","","10.2116/xraystruct.32.47","","","0.71073","MoKα","","0.1093","0.0725","","","0.1485","0.1651","","","","","","1.074","","","","has coordinates","216221","2020-10-21","18:00:00",""
"1551611","8.4258","0.0008","25.4258","0.0018","5.5515","0.0006","90","","103.301","0.004","90","","1157.41","0.19","153","2","153.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H12 I N O2 -","- C12 H12 I N O2 -","- C48 H48 I4 N4 O8 -","4","1","","GUILLON, Jean; RONGA, Luisa; MARCHIVIE, Mathieu; LISOWSKI, Vincent","Crystal Structure of 7-Amino-4-iodo-3-propyl-1<i>H</i>-isochromen-1-one","X-ray Structure Analysis Online","2016","32","0","45","","10.2116/xraystruct.32.45","","","1.54178","CuKα","","0.074","0.0623","","","0.1621","0.1725","","","","","","1.075","","","","has coordinates","216222","2020-10-21","18:00:00",""
"1551612","19.748","0.002","5.9608","0.0007","22.948","0.003","90","","113.455","0.001","90","","2478.1","0.5","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H36 N4 O2 Pt -","- C24 H36 N4 O2 Pt -","- C96 H144 N16 O8 Pt4 -","4","1","","MASUYA-SUZUKI, Atsuko; IKI, Nobuhiko","Crystal Structure of the <i>cis</i>-Bis(3-<i>tert</i>-butyl-<i>o</i>-diiminobenzosemiquinonato)platinum(II) Complex","X-ray Structure Analysis Online","2016","32","0","41","","10.2116/xraystruct.32.41","","","0.71073","MoKα","","0.0353","0.027","","","0.0614","0.0651","","","","","","1.04","","","","has coordinates","216223","2020-10-21","18:00:00",""
"1551613","9","0.003","11.561","0.003","10.591","0.003","90","","96.5568","0.0014","90","","1094.8","0.6","123.1","","123","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C12 H12 Br N O2 -","- C12 H12 Br N O2 -","- C48 H48 Br4 N4 O8 -","4","1","","KUBO, Kanji; MATSUMOTO, Taisuke; TAKECHI, Haruko","Crystal Structure of 3-Bromo-7-(dimethylamino)-4-methylcoumarin","X-ray Structure Analysis Online","2016","32","0","3","","10.2116/xraystruct.32.3","","","0.7107","MoKα","","","0.0426","","","","0.1217","","","","","","1.096","","","","has coordinates","216224","2020-10-21","18:00:00",""
"1551614","7.78174","0.00014","9.71395","0.00018","63.5236","0.0012","90","","92.4271","0.0007","90","","4797.53","0.15","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","acedoben-dimepranol (4:2)","4-acetamidobenzoic acid - N,N-dimethylamino-2-propanol (4:2)","","- C23 H31 N3 O7 -","- C23 H31 N3 O7 -","- C184 H248 N24 O56 -","8","2","","YOSHIDA, Tomomi; UMEDA, Daiki; PUTRA, Okky Dwichandra; UEKUSA, Hidehiro; YONEMOCHI, Etsuo","Drug-drug Multi-component Crystal of Acedoben‒Dimepranol 2:1","X-ray Structure Analysis Online","2016","32","0","39","","10.2116/xraystruct.32.39","","","1.54186","CuKα","","0.0565","0.0443","","","0.1241","0.1319","","","","","","1.255","","","","has coordinates","216225","2020-10-21","18:00:00",""
"1551615","10.816","0.002","12.803","0.002","15.812","0.003","109.245","0.003","95.243","0.004","92.303","0.003","2052.8","0.6","90","2","90","2","","","","","","","","5","P -1","-P 1","2","","","","- C38.5 H35.75 Co2 N9.75 O15.25 -","- C38.5 H35.25 Co2 N9.75 O15.25 -","- C77 H70.5 Co4 N19.5 O30.5 -","2","1","","MIKURIYA, Masahiro; NAKA, Yuko; YOSHIOKA, Daisuke; HANDA, Makoto","Synthesis and Crystal Structures of Dinuclear Cobalt(III) Complexes with 1,3-Bis(5-nitrosalicylideneamino)-2-propanol and 1,3-Bis(3-nitrosalicylideneamino)-2-propanol","X-ray Structure Analysis Online","2016","32","0","55","","10.2116/xraystruct.32.55","","","0.71073","MoKα","","0.0954","0.0469","","","0.1045","0.1207","","","","","","0.923","","","","has coordinates,has disorder","216226","2020-10-21","18:00:00",""
"1551616","31.56","0.019","17.013","0.01","18.888","0.012","90","","124.334","0.009","90","","8375","9","90","2","90","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C39 H37.5 Co2 N10 O15.75 -","- C39 H36 Co2 N10 O15.75 -","- C312 H288 Co16 N80 O126 -","8","1","","MIKURIYA, Masahiro; NAKA, Yuko; YOSHIOKA, Daisuke; HANDA, Makoto","Synthesis and Crystal Structures of Dinuclear Cobalt(III) Complexes with 1,3-Bis(5-nitrosalicylideneamino)-2-propanol and 1,3-Bis(3-nitrosalicylideneamino)-2-propanol","X-ray Structure Analysis Online","2016","32","0","55","","10.2116/xraystruct.32.55","","","0.71073","MoKα","","0.0831","0.05","","","0.1265","0.1376","","","","","","0.907","","","","has coordinates,has disorder","216227","2020-10-21","18:00:00",""
"1551617","10.638","0.002","11.483","0.002","23.538","0.004","90","","95.505","0.003","90","","2862.1","0.9","113","","113","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C31 H29 Mn N2 Ni O7 -","- C31 H29 Mn N2 Ni O7 -","- C124 H116 Mn4 N8 Ni4 O28 -","4","1","","YOSHITAKE, Megumi; YONEDA, Ko; YAMADA, Yasunori; KOIKAWA, Masayuki","Synthesis and Crystal Structure of a Tetranuclear Mn(III)-Ni(II) Heterometal Complex of <i>N</i>-(2-oxymethylphenyl)salicylideneimine","X-ray Structure Analysis Online","2016","32","0","1","","10.2116/xraystruct.32.1","","","0.71075","MoKα","","0.097","0.0682","","","0.1102","0.12","","","","","","1.13","","","","has coordinates","216228","2020-10-21","18:00:00",""
"1551618","45.69","0.008","45.69","0.008","12.589","0.002","90","0.004","90","0.004","120","0.003","22760","7","90","2","90","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C34 H64 N2 O21 S2 V4 -","- C28 H45 N O20 S2 V4 -","- C504 H810 N18 O360 S36 V72 -","18","1","","MIKURIYA, Masahiro; FUKUTANI, Masami; OMOTE, Masataka; YOSHIOKA, Daisuke; MITSUHASHI, Ryoji; TANAKA, Hidekazu; HANDA, Makoto","Synthesis and Crystal Structure of Another Tetranuclear Oxidovanadium(IV) Complex with 2,6-Bis(hydroxymethyl)-4-methylphenol Having an N<sub>2</sub>-Adsorption Property","X-ray Structure Analysis Online","2016","32","0","29","","10.2116/xraystruct.32.29","","","0.71073","MoKα","","0.0988","0.0614","","","0.1516","0.1702","","","","","","0.904","","","","has coordinates","216229","2020-10-21","18:00:00",""
"1551830","27.934","0.0009","7.5162","0.0003","26.0371","0.0007","90","","95.548","0.003","90","","5441.1","0.3","173","","173","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C72 H60 Fe6 -","- C72 H60 Fe6 -","- C288 H240 Fe24 -","4","0.5","","Michael S. Inkpen; Stefan Scheerer; Michael Linseis; Andrew J. P. White; Rainer F. Winter; Tim Albrecht; Nicholas J. Long","Oligomeric ferrocene rings","Nature Chemistry","2016","8","","825","830","10.1038/nchem.2553","","","0.71073","MoKα","","0.0458","0.0325","","","0.0654","0.0701","","","","","","1.042","","","","has coordinates,has disorder","216451","2020-10-21","18:00:00",""
"1551831","7.4131","0.0006","13.207","0.0009","14.5753","0.001","94.319","0.006","99.791","0.006","98.987","0.006","1381.32","0.18","173","","173","","","","","","","","","3","P -1","-P 1","2","","","","- C74 H64 Fe6 -","- C74 H64 Fe6 -","- C74 H64 Fe6 -","1","0.5","","Michael S. Inkpen; Stefan Scheerer; Michael Linseis; Andrew J. P. White; Rainer F. Winter; Tim Albrecht; Nicholas J. Long","Oligomeric ferrocene rings","Nature Chemistry","2016","8","","825","830","10.1038/nchem.2553","","","1.54184","CuKα","","0.0526","0.0375","","","0.0852","0.0921","","","","","","1.007","","","","has coordinates,has disorder","216452","2020-10-21","18:00:00",""
"1551912","12.1386","0.0011","12.3014","0.0011","19.1744","0.0017","76.241","0.001","77.026","0.001","69.951","0.001","2580.2","0.4","100","2","100","2","","","","","","","","6","P -1","-P 1","2","[MsTpCu-SCPh3]","","","- C60 H67 B Cu N6 S -","- C60 H67 B Cu N6 S -","- C120 H134 B2 Cu2 N12 S2 -","2","1","","Shiyu Zhang; Marie M. Melzer; S. Nermin Sen; Nihan Celebi-Olcum; Timothy H. Warren","A motif for reversible nitric oxide interactions in metalloenzymes","Nature Chemistry","2016","8","","663","669","10.1038/nchem.2502","","","0.71073","MoKα","","0.1012","0.0644","","","0.1496","0.1647","","","","","","1.107","","","","has coordinates","216577","2020-10-21","18:00:00",""
"1551913","40.0234","0.0005","13.3815","0.0002","26.2403","0.0003","90","","125.333","0.001","90","","11465","0.3","100","2","100","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","MsTpCuNOSCPh3","","","- C67 H65 B Cu F2 N7 O S -","- C67 H65 B Cu F2 N7 O S -","- C536 H520 B8 Cu8 F16 N56 O8 S8 -","8","1","","Shiyu Zhang; Marie M. Melzer; S. Nermin Sen; Nihan Celebi-Olcum; Timothy H. Warren","A motif for reversible nitric oxide interactions in metalloenzymes","Nature Chemistry","2016","8","","663","669","10.1038/nchem.2502","","","0.71073","MoKα","","0.1247","0.0623","","","0.1548","0.1954","","","","","","1.15","","","","has coordinates","216578","2020-10-21","18:00:00",""
"1551914","12.6639","0.0004","15.4161","0.0005","22.4366","0.0008","90","","92.779","0.002","90","","4375.1","0.3","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","iPr2TpCuCNArMe2","","","- C19 H26.5 B0.5 Cl2 Cu0.5 N3.5 -","- C19 H26.5 B0.5 Cl2 Cu0.5 N3.5 -","- C152 H212 B4 Cl16 Cu4 N28 -","8","2","","Shiyu Zhang; Marie M. Melzer; S. Nermin Sen; Nihan Celebi-Olcum; Timothy H. Warren","A motif for reversible nitric oxide interactions in metalloenzymes","Nature Chemistry","2016","8","","663","669","10.1038/nchem.2502","","","0.71073","MoKα","","0.0852","0.0578","","","0.1479","0.1648","","","","","","1.096","","","","has coordinates,has disorder","216579","2020-10-21","18:00:00",""
"1551919","22.883","0.013","9.955","0.003","28.329","0.009","90","","105.871","0.018","90","","6207","4","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H31 Be Cl2 N -","- C20 H31 Be Cl2 N -","- C240 H372 Be12 Cl24 N12 -","12","3","","Merle Arrowsmith; Holger Braunschweig; Mehmet Ali Celik; Theresa Dellermann; Rian D. Dewhurst; William C. Ewing; Kai Hammond; Thomas Kramer; Ivo Krummenacher; Jan Mies; Krzysztof Radacki; Julia K. Schuster","Neutral zero-valent s-block complexes with strong multiple bonding","Nature Chemistry","2016","8","","890","894","10.1038/nchem.2542","","","0.71073","MoKα","","0.0672","0.0396","","","0.0856","0.0974","","","","","","1.019","","","","has coordinates","216648","2020-10-21","18:00:00",""
"1551920","20.214","0.006","9.634","0.004","23.524","0.006","90","","90","","90","","4581","3","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C23 H35 Be Cl2 N -","- C23 H35 Be Cl2 N -","- C184 H280 Be8 Cl16 N8 -","8","1","","Merle Arrowsmith; Holger Braunschweig; Mehmet Ali Celik; Theresa Dellermann; Rian D. Dewhurst; William C. Ewing; Kai Hammond; Thomas Kramer; Ivo Krummenacher; Jan Mies; Krzysztof Radacki; Julia K. Schuster","Neutral zero-valent s-block complexes with strong multiple bonding","Nature Chemistry","2016","8","","890","894","10.1038/nchem.2542","","","0.71073","MoKα","","0.0424","0.0342","","","0.0885","0.0944","","","","","","1.044","","","","has coordinates","216649","2020-10-21","18:00:00",""
"1551921","10.009","0.003","10.854","0.004","11.522","0.003","73.426","0.012","71.114","0.008","78.842","0.011","1128","0.6","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C52 H74 Be N2 -","- C52 H74 Be N2 -","- C52 H74 Be N2 -","1","0.5","","Merle Arrowsmith; Holger Braunschweig; Mehmet Ali Celik; Theresa Dellermann; Rian D. Dewhurst; William C. Ewing; Kai Hammond; Thomas Kramer; Ivo Krummenacher; Jan Mies; Krzysztof Radacki; Julia K. Schuster","Neutral zero-valent s-block complexes with strong multiple bonding","Nature Chemistry","2016","8","","890","894","10.1038/nchem.2542","","","0.71073","MoKα","","0.0636","0.0469","","","0.1064","0.1152","","","","","","1.038","","","","has coordinates","216650","2020-10-21","18:00:00",""
"1551922","10.205","0.003","11.905","0.003","16.885","0.004","95.186","0.007","92.747","0.007","112.17","0.007","1884.4","0.9","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C43 H66 Be N2 -","- C43 H66 Be N2 -","- C86 H132 Be2 N4 -","2","1","","Merle Arrowsmith; Holger Braunschweig; Mehmet Ali Celik; Theresa Dellermann; Rian D. Dewhurst; William C. Ewing; Kai Hammond; Thomas Kramer; Ivo Krummenacher; Jan Mies; Krzysztof Radacki; Julia K. Schuster","Neutral zero-valent s-block complexes with strong multiple bonding","Nature Chemistry","2016","8","","890","894","10.1038/nchem.2542","","","0.71073","MoKα","","0.0882","0.0618","","","0.1585","0.1716","","","","","","1.02","","","","has coordinates","216651","2020-10-21","18:00:00",""
"1552002","31.5447","0.0004","15.1571","0.0002","16.326","0.0003","90","","102.94","0.0007","90","","7607.7","0.2","150","","150","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C37 H56 B Cl Ge N4 -","- C37 H56 B Cl Ge N4 -","- C296 H448 B8 Cl8 Ge8 N32 -","8","1","","Arnab Rit; Jesus Campos; Haoyu Niu; Simon Aldridge","A stable heavier group 14 analogue of vinylidene","Nature Chemistry","2016","8","","1022","1026","10.1038/nchem.2597","","","0.71073","MoKα","","0.0631","0.0469","","0.1164","0.1011","0.1164","","","","","","0.9075","","","","has coordinates","216811","2020-10-21","18:00:00",""
"1552003","51.304","0.002","13.7692","0.0006","27.1756","0.0005","90","","101.731","0.003","90","","18796.3","1.2","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C63 H92 B2 Ge2 N6 -","- C63 H92 B2 Ge2 N6 -","- C504 H736 B16 Ge16 N48 -","8","1","","Arnab Rit; Jesus Campos; Haoyu Niu; Simon Aldridge","A stable heavier group 14 analogue of vinylidene","Nature Chemistry","2016","8","","1022","1026","10.1038/nchem.2597","","","1.5418","CuKα","","0.1066","0.0793","","","0.2115","0.2418","","","","","","1.12","","","","has coordinates","216812","2020-10-21","18:00:00",""
"1552004","26.718","0.005","18.519","0.004","14.938","0.003","90","","108.53","0.03","90","","7008","3","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C33 H44 B Ge K N2 -","- C33 H44 B Ge K N2 -","- C264 H352 B8 Ge8 K8 N16 -","8","1","","Arnab Rit; Jesus Campos; Haoyu Niu; Simon Aldridge","A stable heavier group 14 analogue of vinylidene","Nature Chemistry","2016","8","","1022","1026","10.1038/nchem.2597","","","0.71073","MoKα","","0.0985","0.0639","","","0.1663","0.1797","","","","","","1.088","","","","has coordinates,has disorder","216813","2020-10-21","18:00:00",""
"1552005","16.8587","0.0002","19.0488","0.0002","19.5197","0.0002","90","","90","","90","","6268.52","0.12","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C63 H94 B2 Ge2 N6 -","- C63 H94 B2 Ge2 N6 -","- C252 H376 B8 Ge8 N24 -","4","1","","Arnab Rit; Jesus Campos; Haoyu Niu; Simon Aldridge","A stable heavier group 14 analogue of vinylidene","Nature Chemistry","2016","8","","1022","1026","10.1038/nchem.2597","","","1.5418","CuKα","","0.0297","0.029","","","0.0975","0.0992","","","","","","0.883","","","","has coordinates,has disorder","216814","2020-10-21","18:00:00",""
"1552006","22.4542","0.0007","10.5244","0.0003","23.651","0.0008","90","","112.271","0.004","90","","5172.2","0.3","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C52 H72 B2 Ge2 N4 -","- C52 H72 B2 Ge2 N4 -","- C208 H288 B8 Ge8 N16 -","4","1","","Arnab Rit; Jesus Campos; Haoyu Niu; Simon Aldridge","A stable heavier group 14 analogue of vinylidene","Nature Chemistry","2016","8","","1022","1026","10.1038/nchem.2597","","","1.5418","CuKα","","0.0442","0.0337","","","0.0884","0.0979","","","","","","1.006","","","","has coordinates","216815","2020-10-21","18:00:00",""
"1552007","13.6923","0.0003","12.3401","0.0002","15.7584","0.0004","90","","97.648","0.002","90","","2638.92","0.1","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C52 H76 B2 Ge2 N4 -","- C52 H76 B2 Ge2 N4 -","- C104 H152 B4 Ge4 N8 -","2","0.5","","Arnab Rit; Jesus Campos; Haoyu Niu; Simon Aldridge","A stable heavier group 14 analogue of vinylidene","Nature Chemistry","2016","8","","1022","1026","10.1038/nchem.2597","","","1.5418","CuKα","","0.0346","0.0299","","","0.0826","0.0881","","","","","","1.033","","","","has coordinates","216816","2020-10-21","18:00:00",""
"1552011","18.991","0.0014","14.9865","0.0011","10.1443","0.0008","90","","110.321","0.001","90","","2707.5","0.4","100","2","100.15","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Np(L)Cl","","- C32 H36 Cl N2 Np -","- C32 H36 Cl N2 Np -","- C128 H144 Cl4 N8 Np4 -","4","0.5","","Michal S. Dutkiewicz; Joy H. Farnaby; Christos Apostolidis; Eric Colineau; Olaf Walter; Nicola Magnani; Michael G. Gardiner; Jason B. Love; Nikolas Kaltsoyannis; Roberto Caciuffo; Polly L. Arnold","Organometallic neptunium(III) complexes","Nature Chemistry","2016","8","","797","802","10.1038/nchem.2520","","","0.71073","MoKα","","0.0204","0.0195","","","0.0498","0.0505","","","","","","1.084","","","","has coordinates","216820","2020-10-21","18:00:00",""
"1552012","10.5639","0.0007","13.6771","0.0008","18.1083","0.0011","75.147","0.001","75.732","0.001","84.334","0.001","2449.2","0.3","100","2","100.15","","","","","","","","","6","P -1","-P 1","2","","Np2Cl4(L)(THF)3","","- C46 H64 Cl4 N2 Np2 O3.5 -","- C46 H64 Cl4 N2 Np2 O3.5 -","- C92 H128 Cl8 N4 Np4 O7 -","2","1","","Michal S. Dutkiewicz; Joy H. Farnaby; Christos Apostolidis; Eric Colineau; Olaf Walter; Nicola Magnani; Michael G. Gardiner; Jason B. Love; Nikolas Kaltsoyannis; Roberto Caciuffo; Polly L. Arnold","Organometallic neptunium(III) complexes","Nature Chemistry","2016","8","","797","802","10.1038/nchem.2520","","","0.71073","MoKα","","0.0717","0.0414","","","0.0871","0.0997","","","","","","1","","","","has coordinates","216821","2020-10-21","18:00:00",""
"1552013","10.205","0.003","20.025","0.005","17.8","0.004","90","","105.645","0.005","90","","3502.8","1.6","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C37 H48 K N2 Np O3 -","- C37 H48 K N2 Np O3 -","- C148 H192 K4 N8 Np4 O12 -","4","1","","Michal S. Dutkiewicz; Joy H. Farnaby; Christos Apostolidis; Eric Colineau; Olaf Walter; Nicola Magnani; Michael G. Gardiner; Jason B. Love; Nikolas Kaltsoyannis; Roberto Caciuffo; Polly L. Arnold","Organometallic neptunium(III) complexes","Nature Chemistry","2016","8","","797","802","10.1038/nchem.2520","","","0.71073","MoKα","","0.1405","0.0664","","","0.1108","0.125","","","","","","0.978","","","","has coordinates","216822","2020-10-21","18:00:00",""
"1552014","4.9826","","4.9826","","9.9548","","90","","90","","90","","247.141","","","","","","","","","","","","","2","P 4/n c c :2","-P 4a 2ac","130","","","","- O5 Xe2 -","- O5 Xe2 -","- O20 Xe8 -","4","0.25","","Agnes Dewaele; Nicholas Worth; Chris J. Pickard; Richard J. Needs; Sakura Pascarelli; Olivier Mathon; Mohamed Mezouar; Tetsuo Irifune","Synthesis and stability of xenon oxides Xe2O5 and Xe3O2 under pressure","Nature Chemistry","2016","8","","784","790","10.1038/nchem.2528","","","","","","","","","","","","","","","","","","","","","has coordinates","216823","2020-10-21","18:00:00",""
"1552015","10.0009","","3.206","","11.0813","","90","","93.325","","90","","354.7","","","","","","","","","","","","","2","C 1 2/m 1","-C 2y","12","","","","- O Xe2 -","- O Xe2 -","- O8 Xe16 -","8","1","","Agnes Dewaele; Nicholas Worth; Chris J. Pickard; Richard J. Needs; Sakura Pascarelli; Olivier Mathon; Mohamed Mezouar; Tetsuo Irifune","Synthesis and stability of xenon oxides Xe2O5 and Xe3O2 under pressure","Nature Chemistry","2016","8","","784","790","10.1038/nchem.2528","","","","","","","","","","","","","","","","","","","","","has coordinates","216824","2020-10-21","18:00:00",""
"1552016","8.5363","","3.2173","","4.9636","","90","","90","","90","","136.32","","","","","","","","","","","","","2","I m m m","-I 2 2","71","","","","- O2 Xe3 -","- O2 Xe3 -","- O4 Xe6 -","2","0.125","","Agnes Dewaele; Nicholas Worth; Chris J. Pickard; Richard J. Needs; Sakura Pascarelli; Olivier Mathon; Mohamed Mezouar; Tetsuo Irifune","Synthesis and stability of xenon oxides Xe2O5 and Xe3O2 under pressure","Nature Chemistry","2016","8","","784","790","10.1038/nchem.2528","","","","","","","","","","","","","","","","","","","","","has coordinates","216825","2020-10-21","18:00:00",""
"1552017","3.5614","","5.7987","","4.4054","","90","","90","","90","","90.978","","","","","","","","","","","","","2","P n m a","-P 2ac 2n","62","","","","- O2 Xe -","- O2 Xe -","- O8 Xe4 -","4","0.5","","Agnes Dewaele; Nicholas Worth; Chris J. Pickard; Richard J. Needs; Sakura Pascarelli; Olivier Mathon; Mohamed Mezouar; Tetsuo Irifune","Synthesis and stability of xenon oxides Xe2O5 and Xe3O2 under pressure","Nature Chemistry","2016","8","","784","790","10.1038/nchem.2528","","","","","","","","","","","","","","","","","","","","","has coordinates","216826","2020-10-21","18:00:00",""
"1552018","7.6536","","3.2888","","4.5277","","90","","90","","90","","113.967","","","","","","","","","","","","","2","P 21 21 21","P 2ac 2ab","19","","","","- O3 Xe -","- O3 Xe -","- O12 Xe4 -","4","1","","Agnes Dewaele; Nicholas Worth; Chris J. Pickard; Richard J. Needs; Sakura Pascarelli; Olivier Mathon; Mohamed Mezouar; Tetsuo Irifune","Synthesis and stability of xenon oxides Xe2O5 and Xe3O2 under pressure","Nature Chemistry","2016","8","","784","790","10.1038/nchem.2528","","","","","","","","","","","","","","","","","","","","","has coordinates","216827","2020-10-21","18:00:00",""
"1552019","9.321","0.0005","15.264","0.0009","16.653","0.0007","74.721","0.004","84.365","0.004","78.162","0.004","2234.5","0.2","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","(NE,N'E,N''E,N'''E)-4,4',4'',4'''-(ethene-1,1,2,2-tetrayl)tetrakis(N-benzylideneaniline)","","- C56 H44 Cl2 N4 -","- C56 H44 Cl2 N4 -","- C112 H88 Cl4 N8 -","2","1","","Laura Ascherl; Torben Sick; Johannes T. Margraf; Saul H. Lapidus; Mona Calik; Christina Hettstedt; Konstantin Karaghiosoff; Markus Doblinger; Timothy Clark; Karena W. Chapman; Florian Auras; Thomas Bein","Molecular docking sites designed for the generation of highly crystalline covalent organic frameworks","Nature Chemistry","2016","8","","310","316","10.1038/nchem.2444","","","0.71073","MoKα","","0.0874","0.0526","","","0.1212","0.1422","","","","","","1.022","","","","has coordinates,has disorder","216828","2020-10-21","18:00:00",""
"1552020","14.393","0.0011","14.6571","0.0011","18.8797","0.0014","87.4893","0.0009","86.8843","0.0009","60.8258","0.0008","3471.8","0.5","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C114.93 H54.85 Cl1.84 N4 Ni O0.96 -","- C114.94 H54.88 Cl1.836 N4 Ni O0.97 -","- C229.88 H109.76 Cl3.672 N8 Ni2 O1.94 -","2","1","","Rui Zhang; Michihisa Murata; Tomoko Aharen; Atsushi Wakamiya; Takafumi Shimoaka,; Takeshi Hasegawa; Yasujiro Murata","Synthesis of a distinct water dimer inside fullerene C70","Nature Chemistry","2016","8","","435","441","10.1038/nchem.2464","","","0.71073","MoKα","","0.0423","0.0363","","","0.0869","0.0908","","","","","","1.03","","","","has coordinates,has disorder","216829","2020-10-21","18:00:00",""
"1552021","10.7048","0.0008","10.2381","0.0008","30.816","0.002","90","","92.257","0.002","90","","3374.7","0.4","100","2","100","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C37 H47 Br F O P Pd S -","- C37 H47 Br F O P Pd S -","- C148 H188 Br4 F4 O4 P4 Pd4 S4 -","4","1","","Beatrice S. L. Collins; Jos C. M. Kistemaker; Edwin Otten; Ben L. Feringa","A chemically powered unidirectional rotary molecular motor based on a palladium redox cycle","Nature Chemistry","2016","8","","860","866","10.1038/nchem.2543","","","0.71073","MoKα","","0.074","0.0557","","","0.0965","0.101","","","","","","1.232","","","","has coordinates","216830","2020-10-21","18:00:00",""
"1552022","11.0067","0.0004","11.0733","0.0004","13.4281","0.0004","90","","90","","90","","1636.62","0.1","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C19 H14 Br F O S -","- C19 H14 Br F O S -","- C76 H56 Br4 F4 O4 S4 -","4","1","","Beatrice S. L. Collins; Jos C. M. Kistemaker; Edwin Otten; Ben L. Feringa","A chemically powered unidirectional rotary molecular motor based on a palladium redox cycle","Nature Chemistry","2016","8","","860","866","10.1038/nchem.2543","","","0.71073","MoKα","","0.0159","0.0152","","","0.0387","0.0389","","","","","","1.101","","","","has coordinates","216831","2020-10-21","18:00:00",""
"1552023","7.3598","0.0003","14.3822","0.0004","15.5984","0.0005","90","","90","","90","","1651.09","0.1","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C19 H14 Br F O S -","- C19 H14 Br F O S -","- C76 H56 Br4 F4 O4 S4 -","4","1","","Beatrice S. L. Collins; Jos C. M. Kistemaker; Edwin Otten; Ben L. Feringa","A chemically powered unidirectional rotary molecular motor based on a palladium redox cycle","Nature Chemistry","2016","8","","860","866","10.1038/nchem.2543","","","0.71073","MoKα","","0.0227","0.0209","","","0.0481","0.0491","","","","","","1.095","","","","has coordinates","216832","2020-10-21","18:00:00",""
"1552024","11.8433","0.0014","16.994","0.002","12.4738","0.0014","90","","102.967","0.003","90","","2446.5","0.5","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C24 H20 F3 N5 O4 S -","- C24 H20 F3 N5 O4 S -","- C96 H80 F12 N20 O16 S4 -","4","1","","Qi-Qiang Wang; Sergio Gonell; Stefan H. A. M. Leenders; Maximilian Durr; Ivana Ivanovic-Burmazovic; Joost N. H. Reek","Self-assembled nanospheres with multiple endohedral binding sites pre-organize catalysts and substrates for highly efficient reactions","Nature Chemistry","2016","8","","225","230","10.1038/nchem.2425","","","0.71073","MoKα","","0.0584","0.0413","","","0.1038","0.1176","","","","","","0.912","","","","has coordinates","216833","2020-10-21","18:00:00",""
"1552053","28.134","0.002","15.138","0.0012","19.4067","0.0014","90","","90","","90","","8265.2","1.1","100","2","100","2","","","","","","","","5","P n n m","-P 2 2n","58","","","","- C72.5 H40 N12.8 O22.91 Pd2 -","- C72.5 H40 N12.788 O22.864 Pd2 -","- C290 H160 N51.152 O91.456 Pd8 -","4","0.5","","Aleksandr V. Zhukhovitskiy; Mingjiang Zhong; Eric G. Keeler; Vladimir K. Michaelis; Jessie E. P. Sun; Michael J. A. Hore; Darrin J. Pochan; Robert G. Griffin; Adam P. Willard; Jeremiah A. Johnson","Highly branched and loop-rich gels via formation of metal-organic cages linked by polymers","Nature Chemistry","2016","8","","33","41","10.1038/nchem.2390","","","0.71073","MoKα","","0.1056","0.0761","","","0.2273","0.2592","","","","","","1.058","","","","has coordinates,has disorder","216871","2020-10-21","18:00:00",""
"1552956","8.7445","0.0016","8.7445","0.0016","10.935","0.002","90","","90","","120","","724.1","0.2","150","2","150","2","","","","","","","","4","P 31 2 1","P 31 2""","152","Iron gallate hydrate","Iron gallate tri-hydrate","","- C7 H9.37 Fe O8.18 -","- C7 H3 Fe O8.173 -","- C21 H9 Fe3 O24.519 -","3","0.5","","Ponce, Aldo; Brostoff, Lynn B.; Gibbons, Sarah K.; Zavalij, Peter; Viragh, Carol; Hooper, Joseph; Alnemrat, Sufian; Gaskell, Karen J.; Eichhorn, Bryan","Elucidation of the Fe(III) Gallate Structure in Historical Iron Gall Ink.","Analytical chemistry","2016","88","10","5152","5158","10.1021/acs.analchem.6b00088","","","0.71073","MoKα","","0.043","0.0341","","","0.0587","0.0621","","","","","","1","","","","has coordinates,has disorder","231207","2020-10-21","18:00:00",""
"1553092","10.9605","0.0007","15.9334","0.001","13.4384","0.0008","90","","112.447","0.002","90","","2169","0.2","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C20 H29 Cl Mo N2 O3 -","- C20 H29 Cl Mo N2 O3 -","- C80 H116 Cl4 Mo4 N8 O12 -","4","1","","Gomes, Ana C.; Neves, Patrícia; Cunha-Silva, Luís; Valente, Anabela A.; Gonçalves, Isabel S.; Pillinger, Martyn","Oxidomolybdenum complexes for acid catalysis using alcohols as solvents and reactants","Catalysis Science & Technology","2016","6","13","5207","","10.1039/C5CY02052B","","","0.71073","MoKα","","0.0718","0.0464","","","0.1008","0.1116","","","","","","1.033","","","","has coordinates,has disorder","233426","2020-10-21","18:00:00",""
"1553093","58.3972","0.0004","58.3972","0.0004","58.3972","0.0004","90","","90","","90","","199148","2","150","2","150","2","","","","","","","","6","F d -3 c :2","-F 4ud 2vw 3","228","","","","- C41 H53 Cl17 Mo2 N4 O4 -","- C41 H53 Cl17 Mo2 N4 O4 -","- C3936 H5088 Cl1632 Mo192 N384 O384 -","96","0.5","","Gomes, Ana C.; Neves, Patrícia; Cunha-Silva, Luís; Valente, Anabela A.; Gonçalves, Isabel S.; Pillinger, Martyn","Oxidomolybdenum complexes for acid catalysis using alcohols as solvents and reactants","Catalysis Science & Technology","2016","6","13","5207","","10.1039/C5CY02052B","","","0.71073","MoKα","","0.0843","0.0545","","","0.1472","0.1751","","","","","","1.082","","","","has coordinates","233426","2020-10-21","18:00:00",""
"1553094","12.2348","0.0008","14.0396","0.0009","14.2351","0.001","92.035","0.003","107.553","0.003","104.751","0.003","2237.7","0.3","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C40 H60 Cl2 Mo2 N4 O6 -","- C40 H60 Cl2 Mo2 N4 O6 -","- C80 H120 Cl4 Mo4 N8 O12 -","2","1","","Gomes, Ana C.; Neves, Patrícia; Cunha-Silva, Luís; Valente, Anabela A.; Gonçalves, Isabel S.; Pillinger, Martyn","Oxidomolybdenum complexes for acid catalysis using alcohols as solvents and reactants","Catalysis Science & Technology","2016","6","13","5207","","10.1039/C5CY02052B","","","0.71073","MoKα","","0.0722","0.0447","","","0.0956","0.107","","","","","","1.019","","","","has coordinates","233426","2020-10-21","18:00:00",""
"1553182","11.3454","0.0004","13.013","0.0005","12.3899","0.0004","90","","91.009","0.002","90","","1828.93","0.11","299","2","299","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H19 N O7 -","- C20 H19 N O7 -","- C80 H76 N4 O28 -","4","1","","Kulkarni, Anand M.; Srinivas, Kolluru; Deshpande, Mukund V.; Ramana, Chepuri V.","Cu-catalyzed sequential C‒N bond formations: expeditious synthesis of tetracyclic indoloindol-3-ones","Organic Chemistry Frontiers","2016","3","1","43","","10.1039/C5QO00248F","","","0.71073","MoKα","","0.0518","0.0435","","","0.113","0.1195","","","","","","1.053","","","","has coordinates","233672","2020-10-21","18:00:00",""
"1553195","7.6889","0.0002","15.5382","0.0005","16.4272","0.0006","90","","90","","90","","1962.58","0.11","99.8","0.5","99.8","0.5","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C24 H22 N4 O4 -","- C24 H22 N4 O4 -","- C96 H88 N16 O16 -","4","1","","Mao, Zhong-Yi; Geng, Hui; Zhang, Tian-Tian; Ruan, Yuan-Ping; Ye, Jian-Liang; Huang, Pei-Qiang","Stereodivergent and enantioselective total syntheses of isochaetominines A‒C and four pairs of isochaetominine C enantiomers: a six-step approach","Organic Chemistry Frontiers","2016","3","1","24","","10.1039/C5QO00298B","","x-ray","1.54184","CuKα","","0.0459","0.0413","","","0.0978","0.1021","","","","","","1.048","","","","has coordinates","233686","2020-10-21","18:00:00",""
"1553196","9.32","0.0006","10.5489","0.0006","12.1772","0.0007","95.818","0.005","90.49","0.005","111.805","0.006","1104.44","0.12","173","0.14","173","0.14","","","","","","","","4","P -1","-P 1","2","","","","- C24 H26 N4 O6 -","- C24 H26 N4 O6 -","- C48 H52 N8 O12 -","2","1","","Mao, Zhong-Yi; Geng, Hui; Zhang, Tian-Tian; Ruan, Yuan-Ping; Ye, Jian-Liang; Huang, Pei-Qiang","Stereodivergent and enantioselective total syntheses of isochaetominines A‒C and four pairs of isochaetominine C enantiomers: a six-step approach","Organic Chemistry Frontiers","2016","3","1","24","","10.1039/C5QO00298B","","","1.54184","CuKα","","0.05","0.038","","","0.0869","0.0932","","","","","","0.96","","","","has coordinates","233686","2020-10-21","18:00:00",""
"1553197","8.8508","0.0008","10.0352","0.0008","10.7879","0.0009","116.066","0.0015","107.114","0.0016","90.5266","0.0017","811.83","0.12","100","2","99.65","","","","","","","","","5","P -1","-P 1","2","20","()-(1S,11S,13R,14R,Z)-14-Bromo-11,13-dimethoxy-15,15-dimethyl-2.5.12-trioxa-4-azatricyclo[9.2.1.13,13]pentadec-3-ene","","- C15 H24 Br N O5 -","- C15 H24 Br N O5 -","- C30 H48 Br2 N2 O10 -","2","1","","Acharya, A.; Eickhoff, J. A.; Chen, K.; Catalano, V. J.; Jeffrey, C. S.","Access to bicyclic hydroxamate macrocycles via intramolecular aza-(4 + 3) cyloaddition reactions of aza-oxyallylic cation intermediates","Organic Chemistry Frontiers","2016","3","3","330","","10.1039/C5QO00315F","","","0.71073","MoKα","","0.0483","0.0365","","","0.0694","0.0722","","","","","","1","","","","has coordinates","233688","2020-10-21","18:00:00",""
"1553198","11.7775","0.0008","8.7429","0.0006","16.8595","0.0012","90","","105.852","0.0013","90","","1670","0.2","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","11","()-(1R,11R,12S)-1,12-Dihydroxy-2,2-dimethyl-5.14-dioxa-4-azabicyclo[9.2.1]tetradecan-3-one","","- C14 H23 Cl2 N O5 -","- C14 H23 Cl2 N O5 -","- C56 H92 Cl8 N4 O20 -","4","1","","Acharya, A.; Eickhoff, J. A.; Chen, K.; Catalano, V. J.; Jeffrey, C. S.","Access to bicyclic hydroxamate macrocycles via intramolecular aza-(4 + 3) cyloaddition reactions of aza-oxyallylic cation intermediates","Organic Chemistry Frontiers","2016","3","3","330","","10.1039/C5QO00315F","","","0.71073","MoKα","","0.055","0.0401","","","0.1167","0.124","","","","","","1","","","","has coordinates","233688","2020-10-21","18:00:00",""
"1553199","11.3134","0.0005","9.429","0.0004","12.7345","0.0006","90","","110.991","0.0008","90","","1268.29","0.1","100","2","100","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","10","()-10,10-dimethylhexahydro-2H-pyrrolo[1,2-b][1,2]oxazecine-7,9,11(10H)-trione","","- C13 H19 N O4 -","- C13 H19 N O4 -","- C52 H76 N4 O16 -","4","1","","Acharya, A.; Eickhoff, J. A.; Chen, K.; Catalano, V. J.; Jeffrey, C. S.","Access to bicyclic hydroxamate macrocycles via intramolecular aza-(4 + 3) cyloaddition reactions of aza-oxyallylic cation intermediates","Organic Chemistry Frontiers","2016","3","3","330","","10.1039/C5QO00315F","","","0.71073","MoKα","","0.0791","0.0672","","","0.2501","0.2774","","","","","","1","","","","has coordinates","233688","2020-10-21","18:00:00",""
"1553200","17.0197","0.0005","16.271","0.0005","10.1414","0.0003","90","","99.0774","0.0005","90","","2773.26","0.14","100","2","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","12","12-Acetyl-2,2-Dimethyl-5.14-dioxa-4-azabicyclo[9.2.1]tetradeca-1(13),11-dien-3-one","","- C15 H21 N O4 -","- C15 H21 N O4 -","- C120 H168 N8 O32 -","8","2","","Acharya, A.; Eickhoff, J. A.; Chen, K.; Catalano, V. J.; Jeffrey, C. S.","Access to bicyclic hydroxamate macrocycles via intramolecular aza-(4 + 3) cyloaddition reactions of aza-oxyallylic cation intermediates","Organic Chemistry Frontiers","2016","3","3","330","","10.1039/C5QO00315F","","","0.71073","MoKα","","0.047","0.0362","","","0.1193","0.1275","","","","","","1","","","","has coordinates","273808","2022-03-18","10:32:15",""
"1553201","10.9816","0.0005","9.2222","0.0004","13.0751","0.0006","90","","107.689","0.0008","90","","1261.57","0.1","100","2","100.15","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","9","()-(1S,11R,12S,14S)-11-Hydroxy-10,10-dimethyl-7,13,15-trioxa-8-azatetracyclo[9.3.1.01,8.012,14]pentadecan-9-one","","- C13 H19 N O5 -","- C13 H19 N O5 -","- C52 H76 N4 O20 -","4","1","","Acharya, A.; Eickhoff, J. A.; Chen, K.; Catalano, V. J.; Jeffrey, C. S.","Access to bicyclic hydroxamate macrocycles via intramolecular aza-(4 + 3) cyloaddition reactions of aza-oxyallylic cation intermediates","Organic Chemistry Frontiers","2016","3","3","330","","10.1039/C5QO00315F","","","0.71073","MoKα","","0.0605","0.043","","","0.1239","0.1382","","","","","","1","","","","has coordinates","233688","2020-10-21","18:00:00",""
"1553202","13.083","0.003","9.848","0.002","18.876","0.004","90","","93.26","0.03","90","","2428.1","0.9","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","IrNC","IrNC","","- C25 H32 Cl Ir N2 -","- C25 H32 Cl Ir N2 -","- C100 H128 Cl4 Ir4 N8 -","4","1","","Tang, Guo-Dong; Pan, Cheng-Ling; Li, Xingwei","Iridium(iii)- and rhodium(iii)-catalyzed coupling of anilines with α-diazoesters via chelation-assisted C‒H activation","Organic Chemistry Frontiers","2016","3","1","87","","10.1039/C5QO00316D","","","0.71073","MoKα","","0.0331","0.0232","","","0.0533","0.0575","","","","","","1.016","","","","has coordinates","233690","2020-10-21","18:00:00",""
"1553203","15.5737","0.0005","12.7774","0.0004","11.4615","0.0003","90","","91.399","0.003","90","","2280.06","0.12","298","","298","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","TNY-TE-09","Benzoic acid 2-(cyclohexyl-phenyl-amino)-1-phenyl-ethyl ester","","- C27 H29 N O2 -","- C27 H29 N O2 -","- C108 H116 N4 O8 -","4","1","","Roy, Tony; Bhojgude, Sachin Suresh; Kaicharla, Trinadh; Thangaraj, Manikandan; Garai, Bikash; Biju, Akkattu T.","Employing carboxylic acids in aryne multicomponent coupling triggered by aziridines/azetidines","Organic Chemistry Frontiers","2016","3","1","71","","10.1039/C5QO00328H","","","0.71073","MoKα","","0.118","0.0678","","","0.1884","0.2219","","","","","","1.095","","","","has coordinates","233691","2020-10-21","18:00:00",""
"1553204","9.8964","0.0016","7.7982","0.0013","13.421","0.002","90","","91.267","0.002","90","","1035.5","0.3","301","2","301","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","1-((1R*,2R*)-2-Hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl)ethanone","","- C12 H14 O2 -","- C12 H14 O2 -","- C48 H56 O8 -","4","1","","Ling, Jesse; Lam, Sze Kui; Lo, Brian; Lam, Sarah; Wong, Wing-Tak; Sun, Jian; Chen, Guanhua; Chiu, Pauline","Epoxy and aziridinyl enolsilanes in diastereoselective inter- and intramolecular Friedel‒Crafts alkylations","Organic Chemistry Frontiers","2016","3","4","457","","10.1039/C5QO00333D","","","0.71073","MoKα","","0.0474","0.0401","","","0.1101","0.1162","","","","","","1.048","","","","has coordinates","233694","2020-10-21","18:00:00",""
"1553205","11.4861","0.0004","14.0594","0.0004","13.486","0.0004","90","","111.393","0.004","90","","2027.77","0.12","293","2","293","2","","","","","","","","6","I 1 a 1","I -2ya","9","","","","- C22 H20 Cl N O2 S -","- C22 H20 Cl N O2 S -","- C88 H80 Cl4 N4 O8 S4 -","4","1","","Prabagar, B.; Nayak, Sanatan; Mallick, Rajendra K.; Prasad, Rangu; Sahoo, Akhila K.","Triphenylphosphine promoted regio and stereoselective α-halogenation of ynamides","Organic Chemistry Frontiers","2016","3","1","110","","10.1039/C5QO00345H","","","1.54184","CuKα","","0.0533","0.053","","","0.1449","0.1455","","","","","","1.075","","","","has coordinates","276349","2022-06-28","16:34:21",""
"1553206","11.0065","0.0009","8.788","0.0007","14.4392","0.0012","90","","99.424","0.001","90","","1377.78","0.19","173","2","173","2","","","","","","","","6","P 1 21 1","P 2yb","4","","methyl (1S,3R,3aS,8bS)-1-(4-methoxyphenyl)-3-methyl-8b-nitro-4-tosyl-1,2,3,3a,4,8b-hexahydropyrrolo[3,4-b]indole-3-carboxylate","","- C27 H28 Br N3 O7 S -","- C27 H28 Br N3 O7 S -","- C54 H56 Br2 N6 O14 S2 -","2","1","","Gerten, Anthony L.; Stanley, Levi M.","Enantioselective dearomative [3 + 2] cycloadditions of indoles with azomethine ylides derived from alanine imino esters","Organic Chemistry Frontiers","2016","3","3","339","","10.1039/C5QO00346F","","","0.71073","MoKα","","0.0334","0.0275","","","0.0633","0.0814","","","","","","1.026","","","","has coordinates","233697","2020-10-21","18:00:00",""
"1553207","6.2154","0.0003","20.2473","0.0013","22.9882","0.0017","90","","90","","90","","2893","0.3","103","2","103","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C36 H29 Cl O6 -","- C36 H29 Cl O6 -","- C144 H116 Cl4 O24 -","4","1","","Fu, Zhenqian; Wu, Xingxing; Chi, Yonggui Robin","Rapid access to bicyclic δ-lactones via carbene-catalyzed activation and cascade reaction of unsaturated carboxylic esters","Organic Chemistry Frontiers","2016","3","2","145","","10.1039/C5QO00348B","","","0.71073","MoKα","","0.0801","0.0507","","","0.1004","0.1167","","","","","","1.021","","","","has coordinates","233699","2020-10-21","18:00:00",""
"1553208","7.1121","0.0007","8.5933","0.001","18.426","0.002","94.339","0.01","100.719","0.01","105.418","0.01","1057.3","0.2","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C24 H25 N3 O2 -","- C24 H25 N3 O2 -","- C48 H50 N6 O4 -","2","1","","Yang, Xiu-Long; Long, Yan; Chen, Fei; Han, Bing","Synthesis of isoxazoline-featured oxindoles by iminoxyl radical-promoted cascade oxyalkylation/alkylarylation of alkenes","Organic Chemistry Frontiers","2016","3","2","184","","10.1039/C5QO00352K","","","0.71073","MoKα","","0.1438","0.0566","","","0.1192","0.1338","","","","","","0.85","","","","has coordinates","233701","2020-10-21","18:00:00",""
"1553209","15.8733","0.0011","11.8466","0.0006","12.3385","0.0008","90","","99.402","0.006","90","","2289","0.2","293.69","0.1","293.69","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","3-((4,4-dimethyl-3-phenyl-4,5-dihydroisoxazol-5-yl)methyl)-1-methyl-4-phenyl-1-azaspiro[4.5]deca-3,6,9-triene-2,8-dione","","- C28 H26 N2 O3 -","- C28 H26 N2 O3 -","- C112 H104 N8 O12 -","4","1","","Yang, Xiu-Long; Long, Yan; Chen, Fei; Han, Bing","Synthesis of isoxazoline-featured oxindoles by iminoxyl radical-promoted cascade oxyalkylation/alkylarylation of alkenes","Organic Chemistry Frontiers","2016","3","2","184","","10.1039/C5QO00352K","","x-ray","0.71073","MoKα","","0.1327","0.0649","","","0.1287","0.1683","","","","","","1.038","","","","has coordinates","233701","2020-10-21","18:00:00",""
"1553210","9.1241","0.0002","10.2171","0.0002","11.3635","0.0008","78.194","0.006","82.379","0.006","72.418","0.005","985.63","0.08","295","2","295","2","","","","","","","","4","P -1","-P 1","2","","","","- C22 H24 Br2 N2 -","- C22 H24 Br2 N2 -","- C44 H48 Br4 N4 -","2","1","","Ma, Can-Liang; Li, Xiao-Hua; Yu, Xiao-Long; Zhu, Xiao-Long; Hu, Yong-Zhou; Dong, Xiao-Wu; Tan, Bin; Liu, Xin-Yuan","Gold-catalyzed tandem synthesis of bioactive spiro-dipyrroloquinolines and its application in the one-step synthesis of incargranine B aglycone and seneciobipyrrolidine (I)","Organic Chemistry Frontiers","2016","3","3","324","","10.1039/C5QO00354G","","","1.54178","CuKα","","0.0546","0.0466","","","0.1153","0.1361","","","","","","1.175","","","","has coordinates","233703","2020-10-21","18:00:00",""
"1553211","7.4987","0.0001","7.9073","0.0001","14.5997","0.001","77.721","0.006","79.566","0.006","69.529","0.005","787.06","0.06","295","2","295","2","","","","","","","","3","P -1","-P 1","2","","","","- C20 H22 N2 -","- C20 H22 N2 -","- C40 H44 N4 -","2","1","","Ma, Can-Liang; Li, Xiao-Hua; Yu, Xiao-Long; Zhu, Xiao-Long; Hu, Yong-Zhou; Dong, Xiao-Wu; Tan, Bin; Liu, Xin-Yuan","Gold-catalyzed tandem synthesis of bioactive spiro-dipyrroloquinolines and its application in the one-step synthesis of incargranine B aglycone and seneciobipyrrolidine (I)","Organic Chemistry Frontiers","2016","3","3","324","","10.1039/C5QO00354G","","","1.54178","CuKα","","0.0657","0.056","","","0.1397","0.1652","","","","","","1.217","","","","has coordinates","233703","2020-10-21","18:00:00",""
"1553212","10.016","0.005","10.025","0.004","21.596","0.01","90","","90","","90","","2168.5","1.7","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C22 H32 N2 O4 -","- C22 H32 N2 O4 -","- C88 H128 N8 O16 -","4","1","","Fu, Jian-Guo; Xu, Guang-Qiang; Ding, Rui; Lin, Guo-Qiang; Sun, Bing-Feng","Asymmetric total synthesis of Lycopodium alkaloids α-obscurine, N-desmethyl-α-obscurine, β-obscurine and N-desmethyl-β-obscurine","Organic Chemistry Frontiers","2016","3","1","62","","10.1039/C5QO00355E","","","0.71073","MoKα","","0.0399","0.0351","","","0.0918","0.0954","","","","","","1.03","","","","has coordinates","233705","2020-10-21","18:00:00",""
"1553213","10.351","0.003","11.942","0.003","26.963","0.006","90","","90","","90","","3332.9","1.5","293","2","293","2","","","","","","","","5","C 2 2 21","C 2c 2","20","","","","- C17 H25 Cl N2 O2 -","- C17 H25 Cl N2 O2 -","- C136 H200 Cl8 N16 O16 -","8","1","","Fu, Jian-Guo; Xu, Guang-Qiang; Ding, Rui; Lin, Guo-Qiang; Sun, Bing-Feng","Asymmetric total synthesis of Lycopodium alkaloids α-obscurine, N-desmethyl-α-obscurine, β-obscurine and N-desmethyl-β-obscurine","Organic Chemistry Frontiers","2016","3","1","62","","10.1039/C5QO00355E","","","0.71073","MoKα","","0.0725","0.0543","","","0.1086","0.1165","","","","","","1.046","","","","has coordinates","233705","2020-10-21","18:00:00",""
"1553214","12.0005","0.0005","9.4272","0.0004","25.9285","0.0011","90","","101.178","0.001","90","","2877.7","0.2","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C23 H27 Cl6 I N2 -","- C23 H27 Cl6 I N2 -","- C92 H108 Cl24 I4 N8 -","4","1","","Desens, Willi; Kohrt, Christina; Spannenberg, Anke; Werner, Thomas","A novel zinc based binary catalytic system for CO2utilization under mild conditions","Organic Chemistry Frontiers","2016","3","2","156","","10.1039/C5QO00356C","","","0.71073","MoKα","","0.0319","0.0258","","","0.057","0.0603","","","","","","1.03","","","","has coordinates","233707","2020-10-21","18:00:00",""
"1553215","8.3061","0.0002","9.701","0.0002","20.7173","0.0006","90","","90","","90","","1669.35","0.07","294.39","0.1","294.39","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C16 H17 Cl2 N O4 -","- C16 H17 Cl2 N O4 -","- C64 H68 Cl8 N4 O16 -","4","1","","Yang, Li; Song, Liqiang; Huang, Chong; Huang, Mingzheng; Liu, Bo","Exploiting ortho-substitution effect on formation of oxygen-containing [10]paracyclophane through ring-closing metathesis","Organic Chemistry Frontiers","2016","3","3","319","","10.1039/C5QO00373C","","x-ray","1.54184","CuKα","","0.051","0.0478","","","0.1284","0.1329","","","","","","1.022","","","","has coordinates","233709","2020-10-21","18:00:00",""
"1553216","8.3327","0.0007","9.5492","0.0009","11.4501","0.001","90","","108.133","0.009","90","","865.84","0.14","292.36","0.1","292.36","0.1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C16 H17 Br2 N O4 -","- C16 H17 Br2 N O4 -","- C32 H34 Br4 N2 O8 -","2","1","","Yang, Li; Song, Liqiang; Huang, Chong; Huang, Mingzheng; Liu, Bo","Exploiting ortho-substitution effect on formation of oxygen-containing [10]paracyclophane through ring-closing metathesis","Organic Chemistry Frontiers","2016","3","3","319","","10.1039/C5QO00373C","","x-ray","1.54184","CuKα","","0.0479","0.0459","","","0.1264","0.129","","","","","","1.082","","","","has coordinates","233709","2020-10-21","18:00:00",""
"1553217","7.1154","0.0003","11.1585","0.0005","11.1645","0.0005","107.811","0.003","95.51","0.003","91.238","0.003","838.83","0.07","296","2","296","2","","","","","","","","3","P -1","-P 1","2","","","","- C20 H16 O5 -","- C20 H16 O5 -","- C40 H32 O10 -","2","1","","Zhang, Wen-Zhen; Yang, Ming-Wang; Yang, Xu-Tong; Shi, Ling-Long; Wang, Hui-Bo; Lu, Xiao-Bing","Double carboxylation of o-alkynyl acetophenone with carbon dioxide","Organic Chemistry Frontiers","2016","3","2","217","","10.1039/C5QO00374A","","","0.71073","MoKα","","0.0621","0.0495","","","0.121","0.1331","","","","","","1.058","","","","has coordinates","233711","2020-10-21","18:00:00",""
"1553218","8.6446","0.0011","10.8046","0.0015","24.326","0.003","90","","99.922","0.002","90","","2238.1","0.5","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C25 H27 N O2 S -","- C25 H27 N O2 S -","- C100 H108 N4 O8 S4 -","4","1","","Li, Jiawen; Qin, Guiping; Liu, Yang; Huang, Hanmin","Palladium-catalysed coupling reaction of aminals with N-sulfonyl hydrazones to give allylic sulfones","Organic Chemistry Frontiers","2016","3","2","259","","10.1039/C5QO00381D","","","0.71073","MoKα","","0.0589","0.0399","","","0.0707","0.0781","","","","","","1.02","","","","has coordinates","233713","2020-10-21","18:00:00",""
"1553219","7.5687","0.0005","30.831","0.002","8.0907","0.0006","90","","90.916","0.002","90","","1887.7","0.2","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C20 H28 O2 Si -","- C20 H28 O2 Si -","- C80 H112 O8 Si4 -","4","1","","Cai, Shujun; Xiao, Zheming; Ou, Jinjie; Shi, Yingbo; Gao, Shuanhu","A photo-induced C‒C bond formation methodology to construct tetrahydrofluorenones and their related structures","Organic Chemistry Frontiers","2016","3","3","354","","10.1039/C5QO00392J","","","0.71073","MoKα","","0.0725","0.0535","","","0.13","0.1403","","","","","","1.089","","","","has coordinates","233715","2020-10-21","18:00:00",""
"1553220","7.3733","0.0006","11.2959","0.0009","14.9182","0.001","109.524","0.003","92.663","0.003","101.436","0.003","1139.24","0.15","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C14 H11 F3 O -","- C14 H11 F3 O -","- C56 H44 F12 O4 -","4","2","","Cai, Shujun; Xiao, Zheming; Ou, Jinjie; Shi, Yingbo; Gao, Shuanhu","A photo-induced C‒C bond formation methodology to construct tetrahydrofluorenones and their related structures","Organic Chemistry Frontiers","2016","3","3","354","","10.1039/C5QO00392J","","","0.71073","MoKα","","0.1258","0.0636","","","0.1493","0.1873","","","","","","1.021","","","","has coordinates,has disorder","233715","2020-10-21","18:00:00",""
"1553221","15.9874","0.0007","10.2887","0.0004","13.7969","0.0006","90","","108.28","0.001","90","","2154.92","0.16","173","2","173","2","","","","","","","","3","P 1 2/c 1","-P 2yc","13","","","","- C14 H12 O3 -","- C14 H12 O3 -","- C112 H96 O24 -","8","2","","Cai, Shujun; Xiao, Zheming; Ou, Jinjie; Shi, Yingbo; Gao, Shuanhu","A photo-induced C‒C bond formation methodology to construct tetrahydrofluorenones and their related structures","Organic Chemistry Frontiers","2016","3","3","354","","10.1039/C5QO00392J","","","0.71073","MoKα","","0.0706","0.0506","","","0.1169","0.1317","","","","","","1.022","","","","has coordinates","233715","2020-10-21","18:00:00",""
"1553222","34.01","0.05","9.158","0.013","7.196","0.01","90","","90","","90","","2241","6","296","2","296","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","no","3-fluoro-6,7,8,9-tetrahydrobenzo[a]azulen-10(5H)-one","","- C14 H13 F O -","- C14 H13 F O -","- C112 H104 F8 O8 -","8","1","","Cai, Shujun; Xiao, Zheming; Ou, Jinjie; Shi, Yingbo; Gao, Shuanhu","A photo-induced C‒C bond formation methodology to construct tetrahydrofluorenones and their related structures","Organic Chemistry Frontiers","2016","3","3","354","","10.1039/C5QO00392J","","","0.71073","MoKα","","0.094","0.047","","","0.1189","0.1405","","","","","","1.037","","","","has coordinates","233715","2020-10-21","18:00:00",""
"1553223","9.9764","0.0005","11.8382","0.0006","12.5698","0.0006","115.716","0.002","100.125","0.002","93.876","0.002","1299.22","0.11","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","7-(2-(diphenylphosphino)phenyl)-7H-benzo[c]carbazole","","- C34 H24 N P -","- C34 H24 N P -","- C68 H48 N2 P2 -","2","1","","Fu, Wai Chung; Zhou, Zhongyuan; Kwong, Fuk Yee","A benzo[c]carbazolyl-based phosphine ligand for Pd-catalyzed tetra-ortho-substituted biaryl syntheses","Organic Chemistry Frontiers","2016","3","2","273","","10.1039/C5QO00400D","","","0.71073","MoKα","","0.0766","0.0595","","","0.1549","0.168","","","","","","1.002","","","","has coordinates","233717","2020-10-21","18:00:00",""
"1553224","10.342","0.002","12.672","0.003","13.549","0.003","90","","90","","90","","1775.6","0.7","296","2","296","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C19 H16 F N O5 S -","- C19 H16 F N O5 S -","- C76 H64 F4 N4 O20 S4 -","4","1","","Yu, Jin-Sheng; Zhou, Jian","Organocatalytic enantioselective Mukaiyama‒Mannich reaction of fluorinated enol silyl ethers and cyclic N-sulfonyl ketimines","Organic Chemistry Frontiers","2016","3","3","298","","10.1039/C5QO00407A","","","0.71073","MoKα","","0.0294","0.0273","","","0.072","0.0739","","","","","","1.029","","","","has coordinates","233719","2020-10-21","18:00:00",""
"1553225","7.1956","0.0003","9.6833","0.0003","23.2873","0.0008","90","","90","","90","","1622.59","0.1","296","2","296","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C17 H14 F2 N2 O4 S -","- C17 H14 F2 N2 O4 S -","- C68 H56 F8 N8 O16 S4 -","4","1","","Yu, Jin-Sheng; Zhou, Jian","Organocatalytic enantioselective Mukaiyama‒Mannich reaction of fluorinated enol silyl ethers and cyclic N-sulfonyl ketimines","Organic Chemistry Frontiers","2016","3","3","298","","10.1039/C5QO00407A","","","0.71073","MoKα","","0.0337","0.0314","","","0.0781","0.0801","","","","","","1.052","","","","has coordinates","233719","2020-10-21","18:00:00",""
"1553226","8.9936","0.0003","20.9137","0.0005","10.6975","0.0004","90","","112.585","0.004","90","","1857.78","0.12","100.01","0.1","100.01","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C23 H14 Cl2 N2 O -","- C23 H14 Cl2 N2 O -","- C92 H56 Cl8 N8 O4 -","4","1","","Zhang, Zhiguo; Qian, Jingjing; Zhang, Guisheng; Ma, Nana; Liu, Qingfeng; Liu, Tongxin; Sun, Kai; Shi, Lei","Copper(i) catalyzed C(sp2)‒N bond formation: synthesis of pyrrolo[3,2-c]quinolinone derivatives","Organic Chemistry Frontiers","2016","3","3","344","","10.1039/C5QO00417A","","","1.54184","CuKα","","0.0479","0.0417","","","0.0991","0.1029","","","","","","1.031","","","","has coordinates","233720","2020-10-21","18:00:00",""
"1553227","6.3775","0.0005","12.1686","0.001","13.4121","0.0008","80.819","0.006","88.955","0.005","75.537","0.007","994.7","0.13","291","2","291.15","","","","","","","","","5","P -1","-P 1","2","","","","- C24 H14 Cl2 N2 O2 -","- C24 H14 Cl2 N2 O2 -","- C48 H28 Cl4 N4 O4 -","2","1","","Zhang, Zhiguo; Qian, Jingjing; Zhang, Guisheng; Ma, Nana; Liu, Qingfeng; Liu, Tongxin; Sun, Kai; Shi, Lei","Copper(i) catalyzed C(sp2)‒N bond formation: synthesis of pyrrolo[3,2-c]quinolinone derivatives","Organic Chemistry Frontiers","2016","3","3","344","","10.1039/C5QO00417A","","","1.54184","CuKα","","0.0623","0.0475","","","0.1165","0.1292","","","","","","1.046","","","","has coordinates","233720","2020-10-21","18:00:00",""
"1553228","5.2005","0.0005","13.556","0.003","15.6215","0.0013","73.584","0.012","85.49","0.008","87.12","0.012","1052.7","0.3","291","2","291.15","","","","","","","","","5","P -1","-P 1","2","","","","- C24 H14 Cl2 N2 O2 -","- C24 H14 Cl2 N2 O2 -","- C48 H28 Cl4 N4 O4 -","2","1","","Zhang, Zhiguo; Qian, Jingjing; Zhang, Guisheng; Ma, Nana; Liu, Qingfeng; Liu, Tongxin; Sun, Kai; Shi, Lei","Copper(i) catalyzed C(sp2)‒N bond formation: synthesis of pyrrolo[3,2-c]quinolinone derivatives","Organic Chemistry Frontiers","2016","3","3","344","","10.1039/C5QO00417A","","x-ray","1.54184","CuKα","","0.1141","0.0698","","","0.1908","0.2294","","","","","","1.026","","","","has coordinates","233720","2020-10-21","18:00:00",""
"1553229","8.0462","0.0005","9.2337","0.0006","26.6656","0.0013","90","","90","","90","","1981.2","0.2","291","2","291.15","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C24 H17 Cl N2 O2 -","- C24 H17 Cl N2 O2 -","- C96 H68 Cl4 N8 O8 -","4","1","","Zhang, Zhiguo; Qian, Jingjing; Zhang, Guisheng; Ma, Nana; Liu, Qingfeng; Liu, Tongxin; Sun, Kai; Shi, Lei","Copper(i) catalyzed C(sp2)‒N bond formation: synthesis of pyrrolo[3,2-c]quinolinone derivatives","Organic Chemistry Frontiers","2016","3","3","344","","10.1039/C5QO00417A","","","1.54184","CuKα","","0.0529","0.0399","","","0.1013","0.1123","","","","","","1.041","","","","has coordinates","233720","2020-10-21","18:00:00",""
"1553230","13.6461","0.0019","10.723","0.0015","22.268","0.004","90","","90.915","0.002","90","","3258","0.9","298","2","298","2","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","Wun1m","","- C20 H15 N3 O3 -","- C20 H15 N3 O3 -","- C160 H120 N24 O24 -","8","1","","Nack, W. A.; Wang, B.; Wu, X.; Jiao, R.; He, G.; Chen, G.","Palladium-catalyzed arylation of β-methylene C(sp3)‒H bonds at room temperature: desymmetrization of simple cycloalkyl carboxylic acids","Organic Chemistry Frontiers","2016","3","5","561","","10.1039/C5QO00421G","","","0.71073","MoKα","","0.159","0.153","","","0.3373","0.3402","","","","","","2.199","","","","has coordinates","233722","2020-10-21","18:00:00",""
"1553231","7.6839","0.0002","11.0556","0.0003","12.4153","0.0004","90","","106.486","0.004","90","","1011.32","0.05","291","2","291.15","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C23 H18 N2 O5 -","- C23 H18 N2 O5 -","- C46 H36 N4 O10 -","2","1","","Jiao, Lihui; Zhao, Xiaowei; Liu, Huixin; Ye, Xinyi; Li, Yun; Jiang, Zhiyong","Organocatalytic asymmetric conjugate addition of diaryloxazolidin-2,4-diones to nitroolefins: an efficient approach to chiral α-aryl-α-hydroxy carboxylic acids","Organic Chemistry Frontiers","2016","3","4","470","","10.1039/C5QO00428D","","","1.54184","CuKα","","0.0443","0.0395","","","0.105","0.1091","","","","","","1.048","","","","has coordinates,has disorder","233724","2020-10-21","18:00:00",""
"1553232","13.83","0.0011","21.2702","0.0018","14.1309","0.0013","90","","119.452","0.003","90","","3619.6","0.5","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C38 H34 N O4 P S -","- C38 H34 N O4 P S -","- C152 H136 N4 O16 P4 S4 -","4","1","","Zhu, Yi-Long; Wang, De-Cai; Jiang, Bo; Hao, Wen-Juan; Wei, Ping; Wang, Ai-Fang; Qiu, Jiang-Kai; Tu, Shu-Jiang","Metal-free oxidative hydrophosphinylation of 1,7-enynes","Organic Chemistry Frontiers","2016","3","3","385","","10.1039/C5QO00430F","","","0.71073","MoKα","","0.2249","0.0994","","","0.2293","0.249","","","","","","1.052","","","","has coordinates","233725","2020-10-21","18:00:00",""
"1553233","20.218","0.004","9.2121","0.0019","15.306","0.003","90","","95.315","0.004","90","","2838.5","1","173.15","","173.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C13 H14 Br N O3 S -","- C13 H14 Br N O3 S -","- C104 H112 Br8 N8 O24 S8 -","8","2","","Song, Lu; Luo, Sanzhong; Cheng, Jin-Pei","Visible-light promoted intermolecular halofunctionalization of alkenes with N-halogen saccharins","Organic Chemistry Frontiers","2016","3","4","447","","10.1039/C5QO00432B","","","0.71073","MoKα","","0.0444","0.038","","","0.0774","0.081","","","","","","1.106","","","","has coordinates","233727","2020-10-21","18:00:00",""
"1553234","7.8592","0.0017","9.0905","0.0018","9.748","0.002","79.19","0.007","89.1","0.008","77.31","0.006","667.1","0.2","173.15","","173.15","","","","","","","","","6","P -1","-P 1","2","","","","- C13 H14 Br N O3 S -","- C13 H14 Br N O3 S -","- C26 H28 Br2 N2 O6 S2 -","2","1","","Song, Lu; Luo, Sanzhong; Cheng, Jin-Pei","Visible-light promoted intermolecular halofunctionalization of alkenes with N-halogen saccharins","Organic Chemistry Frontiers","2016","3","4","447","","10.1039/C5QO00432B","","","0.71073","MoKα","","0.0271","0.0258","","","0.0625","0.0632","","","","","","1.088","","","","has coordinates","233727","2020-10-21","18:00:00",""
"1553235","11.83","0.002","9.2659","0.0019","14.59","0.003","90","","97.6","0.03","90","","1585.2","0.5","173.15","","173.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C16 H14 Br N O3 S -","- C16 H14 Br N O3 S -","- C64 H56 Br4 N4 O12 S4 -","4","1","","Song, Lu; Luo, Sanzhong; Cheng, Jin-Pei","Visible-light promoted intermolecular halofunctionalization of alkenes with N-halogen saccharins","Organic Chemistry Frontiers","2016","3","4","447","","10.1039/C5QO00432B","","","0.71073","MoKα","","0.0436","0.0387","","","0.0787","0.0807","","","","","","1.155","","","","has coordinates","233727","2020-10-21","18:00:00",""
"1553236","8.3045","0.0015","9.415","0.002","11.19","0.002","87.089","0.01","73.797","0.009","70.74","0.07","792.3","0.4","173.15","","173.15","","","","","","","","","6","P -1","-P 1","2","","","","- C16 H14 Br N O3 S -","- C16 H14 Br N O3 S -","- C32 H28 Br2 N2 O6 S2 -","2","1","","Song, Lu; Luo, Sanzhong; Cheng, Jin-Pei","Visible-light promoted intermolecular halofunctionalization of alkenes with N-halogen saccharins","Organic Chemistry Frontiers","2016","3","4","447","","10.1039/C5QO00432B","","","0.71073","MoKα","","0.0361","0.0333","","","0.0834","0.085","","","","","","1.152","","","","has coordinates,has disorder","233727","2020-10-21","18:00:00",""
"1553237","15.825","0.004","8.982","0.003","11.426","0.006","90","","109.905","0.004","90","","1527.1","1","173.15","","173.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C16 H14 Br N O3 S -","- C16 H14 Br N O3 S -","- C64 H56 Br4 N4 O12 S4 -","4","1","","Song, Lu; Luo, Sanzhong; Cheng, Jin-Pei","Visible-light promoted intermolecular halofunctionalization of alkenes with N-halogen saccharins","Organic Chemistry Frontiers","2016","3","4","447","","10.1039/C5QO00432B","","","0.71073","MoKα","","0.0748","0.0663","","","0.1402","0.1474","","","","","","1.126","","","","has coordinates","233727","2020-10-21","18:00:00",""
"1553238","8.1343","0.0014","27.626","0.005","8.8172","0.0015","90","","97.223","0.003","90","","1965.7","0.6","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C22 H25 N O3 -","- C22 H25 N O3 -","- C88 H100 N4 O12 -","4","2","","Mu, Yucheng; Tan, Xiaodong; Zhang, Yemin; Jing, Xiaobi; Shi, Zhuangzhi","Pd(ii)-catalyzed β-C‒H arylation of O-methyl ketoximes with iodoarenes","Organic Chemistry Frontiers","2016","3","3","380","","10.1039/C5QO00438A","","","0.71073","MoKα","","0.0695","0.0488","","","0.1228","0.1403","","","","","","1.031","","","","has coordinates","233729","2020-10-21","18:00:00",""
"1553239","14.9981","0.0003","14.2324","0.0003","14.6364","0.0003","90","","103.93","0.001","90","","3032.39","0.11","180","2","180","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C29 H24 Cl2 F6 N4 O4 -","- C29 H24 Cl2 F6 N4 O4 -","- C116 H96 Cl8 F24 N16 O16 -","4","0.5","","Poh, Jian-Siang; Browne, Duncan L.; Ley, Steven V.","A multistep continuous flow synthesis machine for the preparation of pyrazoles <i>via</i> a metal-free amine-redox process.","Reaction chemistry & engineering","2016","1","1","101","105","10.1039/c5re00082c","","","0.71073","MoKα","","0.0702","0.0481","","","0.1414","0.152","","","","","","1.087","","","","has coordinates,has disorder","233863","2020-10-21","18:00:00",""
"1553240","12.275","0.0008","7.265","0.0005","12.6939","0.0008","90","","107.016","0.002","90","","1082.46","0.12","180","2","180","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C11 H10 F3 N3 -","- C11 H10 F3 N3 -","- C44 H40 F12 N12 -","4","1","","Poh, Jian-Siang; Browne, Duncan L.; Ley, Steven V.","A multistep continuous flow synthesis machine for the preparation of pyrazoles <i>via</i> a metal-free amine-redox process.","Reaction chemistry & engineering","2016","1","1","101","105","10.1039/c5re00082c","","","1.54178","CuKα","","0.0539","0.048","","","0.1201","0.1268","","","","","","1.048","","","","has coordinates","233863","2020-10-21","18:00:00",""
"1553241","13.3249","0.0009","26.5982","0.0015","10.0862","0.0006","90","","90","","90","","3574.7","0.4","173","2","173","2","","","","","","","","3","A e m 2","A 2 -2b","39","","","","- C49 H34 Cl2 -","- C49 H32 Cl2 -","- C196 H128 Cl8 -","4","0.5","","Sisto, Thomas J.; Zakharov, Lev N.; White, Brittany M.; Jasti, Ramesh","Towards pi-extended cycloparaphenylenes as seeds for CNT growth: investigating strain relieving ring-openings and rearrangements.","Chemical science","2016","7","6","3681","3688","10.1039/c5sc04218f","","","1.54178","CuKα","","0.0809","0.075","","","0.2148","0.2231","","","","","","1.068","","","","has coordinates","233867","2020-10-21","18:00:00",""
"1553242","14.388","","6.189","","20.392","","90","","98.16","","90","","1797.47","","293","2","293","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","Cinnamaldimine","S1","","- C18 H27 Cl N2 O -","- C18 H27 Cl N2 O -","- C72 H108 Cl4 N8 O4 -","4","1","","Jiménez-Sánchez, Arturo; Santillan, Rosa","A photochromic-acidochromic HCl fluorescent probe. An unexpected chloride-directed recognition.","The Analyst","2016","141","13","4108","4120","10.1039/c6an00509h","","","0.71073","MoKα","","0.0897","0.0552","","","0.1192","0.1364","","","","","","1.041","","","","has coordinates","233974","2020-10-21","18:00:00",""
"1553250","30.024","0.006","7.0591","0.0014","13.29","0.003","90","","101.32","0.03","90","","2761.9","1","293","2","293","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C23 H31 F N3 O10 P -","- C23 H29 F N3 O10 P -","- C92 H116 F4 N12 O40 P4 -","4","1","","Peng, Youmei; Yu, Wenquan; Li, Ertong; Kang, Jinfeng; Wang, Yafeng; Yang, Qinghua; Liu, Bingjie; Zhang, Jingmin; Li, Longyu; Wu, Jie; Jiang, Jinhua; Wang, Qingduan; Chang, Junbiao","Discovery of an Orally Active and Liver-Targeted Prodrug of 5-Fluoro-2'-Deoxyuridine for the Treatment of Hepatocellular Carcinoma.","Journal of medicinal chemistry","2016","59","8","3661","3670","10.1021/acs.jmedchem.5b01807","","","0.71073","MoKα","","0.1461","0.1289","","","0.3587","0.3814","","","","","","1.363","","","","has coordinates","234007","2020-10-21","18:00:00",""
"1553251","13.571","0.0009","17.6203","0.0011","21.2057","0.0013","90","","90","","90","","5070.8","0.6","147","2","147","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C41.5 H70 N7 O13 -","- C41.5 H70 N7 O13 -","- C166 H280 N28 O52 -","4","1","","Hickey, Jennifer L.; Zaretsky, Serge; St Denis, Megan A.; Kumar Chakka, Sai; Morshed, M. Monzur; Scully, Conor C. G.; Roughton, Andrew L.; Yudin, Andrei K.","Passive Membrane Permeability of Macrocycles Can Be Controlled by Exocyclic Amide Bonds.","Journal of medicinal chemistry","2016","59","11","5368","5376","10.1021/acs.jmedchem.6b00222","","","1.54178","CuKα","","0.0684","0.0629","","","0.1803","0.187","","","","","","1.052","","","","has coordinates","234008","2020-10-21","18:00:00",""
"1553252","13.1244","0.001","13.601","0.0009","48.964","0.003","90","","90","","90","","8740.3","1","147","2","147","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C41 H63 N7 O9 -","- C41 H63 N7 O9 -","- C328 H504 N56 O72 -","8","2","","Hickey, Jennifer L.; Zaretsky, Serge; St Denis, Megan A.; Kumar Chakka, Sai; Morshed, M. Monzur; Scully, Conor C. G.; Roughton, Andrew L.; Yudin, Andrei K.","Passive Membrane Permeability of Macrocycles Can Be Controlled by Exocyclic Amide Bonds.","Journal of medicinal chemistry","2016","59","11","5368","5376","10.1021/acs.jmedchem.6b00222","","","1.54178","CuKα","","0.0352","0.0334","","","0.0854","0.0869","","","","","","1.024","","","","has coordinates","234009","2020-10-21","18:00:00",""
"1553288","5.8324","0.0007","12.9306","0.0014","17.55","0.002","90","","90","","90","","1323.6","0.3","90","","90","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C15 H22 O2 -","- C15 H22 O2 -","- C60 H88 O8 -","4","1","","Matsuo, Yukiko; Maeda, Saori; Ohba, Chika; Fukaya, Haruhiko; Mimaki, Yoshihiro","Vetiverianines A, B, and C: Sesquiterpenoids from Vetiveria zizanioides Roots.","Journal of natural products","2016","79","9","2175","2180","10.1021/acs.jnatprod.6b00140","","","0.71073","MoKα","","0.0325","0.0304","","","0.0763","0.0775","","","","","","1.04","","","","has coordinates","234058","2020-10-21","18:00:00",""
"1553289","6.242","0.0006","16.329","0.0015","28.076","0.003","90","","90","","90","","2861.7","0.5","90","","90","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C15 H27 O2.5 -","- C15 H27 O2.5 -","- C120 H216 O20 -","8","2","","Matsuo, Yukiko; Maeda, Saori; Ohba, Chika; Fukaya, Haruhiko; Mimaki, Yoshihiro","Vetiverianines A, B, and C: Sesquiterpenoids from Vetiveria zizanioides Roots.","Journal of natural products","2016","79","9","2175","2180","10.1021/acs.jnatprod.6b00140","","","0.71073","MoKα","","0.0425","0.0376","","","0.0825","0.0851","","","","","","1.05","","","","has coordinates","275856","2022-06-07","07:08:27",""
"1553290","5.6076","0.0005","7.3152","0.0006","32.2","0.003","90","","90","","90","","1320.9","0.2","90","","90","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C15 H24 O2 -","- C15 H24 O2 -","- C60 H96 O8 -","4","1","","Matsuo, Yukiko; Maeda, Saori; Ohba, Chika; Fukaya, Haruhiko; Mimaki, Yoshihiro","Vetiverianines A, B, and C: Sesquiterpenoids from Vetiveria zizanioides Roots.","Journal of natural products","2016","79","9","2175","2180","10.1021/acs.jnatprod.6b00140","","","0.71073","MoKα","","0.0338","0.0331","","","0.086","0.0868","","","","","","1.057","","","","has coordinates,has disorder","234060","2020-10-21","18:00:00",""
"1553291","9.1399","0.0002","11.2214","0.0003","19.328","0.0005","90","","90","","90","","1982.33","0.09","123","0.1","123","0.1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C23 H26 O7 -","- C23 H26 O7 -","- C92 H104 O28 -","4","1","","Abdissa, Negera; Pan, Fangfang; Gruhonjic, Amra; Gräfenstein, Jürgen; Fitzpatrick, Paul A.; Landberg, Göran; Rissanen, Kari; Yenesew, Abiy; Erdélyi, Máté","Naphthalene Derivatives from the Roots of Pentas parvifolia and Pentas bussei.","Journal of natural products","2016","79","9","2181","2187","10.1021/acs.jnatprod.6b00178","","x-ray","1.54184","CuKα","","0.0532","0.0494","","","0.1382","0.142","","","","","","1.022","","","","has coordinates","234061","2020-10-21","18:00:00",""
"1553292","5.20049","0.00004","18.36541","0.0001","22.63281","0.00012","90","","90","","90","","2161.64","0.02","123.01","0.1","123.01","0.1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C24 H28 O7 -","- C24 H28 O7 -","- C96 H112 O28 -","4","1","","Abdissa, Negera; Pan, Fangfang; Gruhonjic, Amra; Gräfenstein, Jürgen; Fitzpatrick, Paul A.; Landberg, Göran; Rissanen, Kari; Yenesew, Abiy; Erdélyi, Máté","Naphthalene Derivatives from the Roots of Pentas parvifolia and Pentas bussei.","Journal of natural products","2016","79","9","2181","2187","10.1021/acs.jnatprod.6b00178","","x-ray","1.54184","CuKα","","0.0387","0.0381","","","0.1001","0.1009","","","","","","1.025","","","","has coordinates","234062","2020-10-21","18:00:00",""
"1553293","6.5201","0.0001","7.2318","0.0001","24.7168","0.0004","90","","90","","90","","1165.45","0.03","290","2","290","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C13 H12 N2 O3 -","- C13 H12 N2 O3 -","- C52 H48 N8 O12 -","4","1","","Zhou, Haibo; Li, Liyuan; Wu, Chongming; Kurtán, Tibor; Mándi, Attila; Liu, Yankai; Gu, Qianqun; Zhu, Tianjiao; Guo, Peng; Li, Dehai","Penipyridones A-F, Pyridone Alkaloids from Penicillium funiculosum.","Journal of natural products","2016","79","7","1783","1790","10.1021/acs.jnatprod.6b00218","","","1.54184","CuKα","","0.03","0.0298","","","0.0817","0.0818","","","","","","1.039","","","","has coordinates","234063","2020-10-21","18:00:00",""
"1553294","6.3429","0.0001","7.2295","0.0001","22.835","0.0004","86.897","0.001","87.866","0.001","68.166","0.001","970.42","0.03","170","2","170","2","","","","","","","","4","P 1","P 1","1","celastrusin A","29-O-caffeoyl-friedelin","","- C45 H63 N O7 -","- C45 H63 N O7 -","- C45 H63 N O7 -","1","1","","Li, Jin-Long; Wu, Lei; Wu, Jian; Feng, Hong-Xuan; Wang, Hong-Min; Fu, Yan; Zhang, Ru-Jun; Zhang, Hai-Yan; Zhao, Wei-Min","Caffeoyl Triterpenoid Esters as Potential Anti-ischemic Stroke Agents from Celastrus orbiculatus.","Journal of natural products","2016","79","11","2774","2779","10.1021/acs.jnatprod.6b00314","","","1.54178","CuKα","","0.0405","0.0379","","","0.1002","0.1024","","","","","","1.065","","","","has coordinates","234065","2020-10-21","18:00:00",""
"1553295","7.33508","0.00019","7.7336","0.0002","16.8499","0.0004","90","","90","","90","","955.84","0.04","100.3","","100.3","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C10 H13 N O4 -","- C10 H13 N O4 -","- C40 H52 N4 O16 -","4","1","","Zeng, Yao-Bo; Liu, Xiao-Ling; Zhang, Yi; Li, Chuang-Jun; Zhang, Dong-Ming; Peng, Yao-Zong; Zhou, Xing; Du, Hong-Fei; Tan, Chun-Bing; Zhang, Yu-Yu; Yang, Da-Jian","Cantharimide and Its Derivatives from the Blister Beetle Mylabris phalerata Palla.","Journal of natural products","2016","79","8","2032","2038","10.1021/acs.jnatprod.6b00332","","","1.54184","CuKα","","0.0321","0.0318","","","0.0856","0.0857","","","","","","1.079","","","","has coordinates","234066","2020-10-21","18:00:00",""
"1553296","5.376","0.0005","11.9366","0.0011","13.1122","0.0013","90","","90","","90","","841.43","0.14","104.3","","104.3","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C9 H11 N O3 -","- C9 H11 N O3 -","- C36 H44 N4 O12 -","4","1","","Zeng, Yao-Bo; Liu, Xiao-Ling; Zhang, Yi; Li, Chuang-Jun; Zhang, Dong-Ming; Peng, Yao-Zong; Zhou, Xing; Du, Hong-Fei; Tan, Chun-Bing; Zhang, Yu-Yu; Yang, Da-Jian","Cantharimide and Its Derivatives from the Blister Beetle Mylabris phalerata Palla.","Journal of natural products","2016","79","8","2032","2038","10.1021/acs.jnatprod.6b00332","","","1.5418","CuKα","","0.0373","0.0364","","","0.0929","0.0945","","","","","","1.072","","","","has coordinates","234068","2020-10-21","18:00:00",""
"1553297","8.2263","0.0002","19.2406","0.0005","16.9322","0.0005","90","","93.261","0.002","90","","2675.67","0.12","173","","173","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","PC-3","","","- C37 H26 N2 O7 -","- C37 H26 N2 O7 -","- C148 H104 N8 O28 -","4","1","","Shono, Takumi; Ishikawa, Naoki; Toume, Kazufumi; Arai, Midori A.; Masu, Hyuma; Koyano, Takashi; Kowithayakorn, Thaworn; Ishibashi, Masami","Cerasoidine, a Bis-aporphine Alkaloid Isolated from Polyalthia cerasoides during Screening for Wnt Signal Inhibitors.","Journal of natural products","2016","79","8","2083","2088","10.1021/acs.jnatprod.6b00409","","","1.54178","CuKα","","0.0784","0.0525","","","0.1363","0.1526","","","","","","1.034","","","","has coordinates","234069","2020-10-21","18:00:00",""
"1553298","7.3316","0.0005","9.7804","0.0006","17.8769","0.0012","90","","90","","90","","1281.88","0.15","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C14 H19 Br O2 -","- C14 H19 Br O2 -","- C56 H76 Br4 O8 -","4","1","","Chen, Jia-Yu; Huang, Chiung-Yao; Lin, Yun-Sheng; Hwang, Tsong-Long; Wang, Wei-Lung; Chiou, Shu-Fen; Sheu, Jyh-Horng","Halogenated Sesquiterpenoids from the Red Alga Laurencia tristicha Collected in Taiwan.","Journal of natural products","2016","79","9","2315","2323","10.1021/acs.jnatprod.6b00452","","","1.54178","CuKα","","0.0186","0.0186","","","0.0488","0.0488","","","","","","1.181","","","","has coordinates","234070","2020-10-21","18:00:00",""
"1553299","6.3082","0.0004","7.5108","0.0005","8.11","0.0005","88.911","0.004","85.044","0.004","77.888","0.005","374.29","0.04","120","2","120","2","","","","","","","","3","P 1","P 1","1","Pestalotioprolide B hydrate","","","- C14 H22 O6 -","- C14 H22 O6 -","- C14 H22 O6 -","1","1","","Liu, Shuai; Dai, Haofu; Makhloufi, Gamall; Heering, Christian; Janiak, Christoph; Hartmann, Rudolf; Mándi, Attila; Kurtán, Tibor; Müller, Werner E G; Kassack, Matthias U.; Lin, Wenhan; Liu, Zhen; Proksch, Peter","Cytotoxic 14-Membered Macrolides from a Mangrove-Derived Endophytic Fungus, Pestalotiopsis microspora.","Journal of natural products","2016","79","9","2332","2340","10.1021/acs.jnatprod.6b00473","","","1.54178","CuKα","","0.0349","0.0342","","","0.0869","0.0878","","","","","","1.026","","","","has coordinates","234071","2020-10-21","18:00:00",""
"1553300","36.533","0.004","4.9693","0.0006","7.6479","0.0009","90","","90","","90","","1388.4","0.3","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","Pestalotioprolide C","","","- C14 H24 O4 -","- C14 H24 O4 -","- C56 H96 O16 -","4","1","","Liu, Shuai; Dai, Haofu; Makhloufi, Gamall; Heering, Christian; Janiak, Christoph; Hartmann, Rudolf; Mándi, Attila; Kurtán, Tibor; Müller, Werner E G; Kassack, Matthias U.; Lin, Wenhan; Liu, Zhen; Proksch, Peter","Cytotoxic 14-Membered Macrolides from a Mangrove-Derived Endophytic Fungus, Pestalotiopsis microspora.","Journal of natural products","2016","79","9","2332","2340","10.1021/acs.jnatprod.6b00473","","","1.54178","CuKα","","0.0931","0.0867","","","0.2354","0.2408","","","","","","1.161","","","","has coordinates","234074","2020-10-21","18:00:00",""
"1553301","4.8042","0.0003","7.6036","0.0004","37.247","0.002","90","","90","","90","","1360.6","0.13","150","2","150","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","nigrosporolide","","","- C14 H20 O4 -","- C14 H20 O4 -","- C56 H80 O16 -","4","1","","Liu, Shuai; Dai, Haofu; Makhloufi, Gamall; Heering, Christian; Janiak, Christoph; Hartmann, Rudolf; Mándi, Attila; Kurtán, Tibor; Müller, Werner E G; Kassack, Matthias U.; Lin, Wenhan; Liu, Zhen; Proksch, Peter","Cytotoxic 14-Membered Macrolides from a Mangrove-Derived Endophytic Fungus, Pestalotiopsis microspora.","Journal of natural products","2016","79","9","2332","2340","10.1021/acs.jnatprod.6b00473","","","0.71073","MoKα","","0.0331","0.0316","","","0.0787","0.0797","","","","","","1.088","","","","has coordinates","234075","2020-10-21","18:00:00",""
"1553302","10.0971","0.00018","6.95501","0.00013","18.0231","0.0003","90","","100.84","0.0007","90","","1243.1","0.04","90","","90","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C26 H40 O7 -","- C26 H40 O7 -","- C52 H80 O14 -","2","1","","Kim, Jong Won; Ko, Sung-Kyun; Kim, Hye-Min; Kim, Gun-Hee; Son, Sangkeun; Kim, Gil Soo; Hwang, Gwi Ja; Jeon, Eun Soo; Shin, Kee-Sun; Ryoo, In-Ja; Hong, Young-Soo; Oh, Hyuncheol; Lee, Kyung Ho; Soung, Nak-Kyun; Hashizume, Daisuke; Nogawa, Toshihiko; Takahashi, Shunji; Kim, Bo Yeon; Osada, Hiroyuki; Jang, Jae-Hyuk; Ahn, Jong Seog","Stachybotrysin, an Osteoclast Differentiation Inhibitor from the Marine-Derived Fungus Stachybotrys sp. KCB13F013.","Journal of natural products","2016","79","10","2703","2708","10.1021/acs.jnatprod.6b00641","","","1.54184","CuKα","","0.0435","0.0343","","","0.0744","0.0843","","","","","","1.146","","","","has coordinates","234077","2020-10-21","18:00:00",""
"1553303","6.5355","0.0013","12.797","0.003","24.34","0.005","90","","90","","90","","2035.7","0.8","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C22 H30 O5 -","- C22 H30 O5 -","- C88 H120 O20 -","4","1","","Xu, Jing; Wang, Meicheng; Sun, Xiaocong; Ren, Quanhui; Cao, Xiangrong; Li, Shen; Su, Guochen; Tuerhong, Muhetaer; Lee, Dongho; Ohizumi, Yasushi; Bartlam, Mark; Guo, Yuanqiang","Bioactive Terpenoids from Salvia plebeia: Structures, NO Inhibitory Activities, and Interactions with iNOS.","Journal of natural products","2016","79","11","2924","2932","10.1021/acs.jnatprod.6b00733","","","0.71073","MoKα","","0.1233","0.0723","","","0.1455","0.1659","","","","","","1.015","","","","has coordinates","234078","2020-10-21","18:00:00",""
"1553304","6.37","0.0003","12.1724","0.0006","34.2046","0.0015","90","","90","","90","","2652.2","0.2","100","","100","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C30 H42 O5 -","- C30 H42 O5 -","- C120 H168 O20 -","4","1","","Olivier, Wesley J.; Kilah, Nathan L.; Horne, James; Bissember, Alex C.; Smith, Jason A.","ent-Labdane Diterpenoids from Dodonaea viscosa.","Journal of natural products","2016","79","12","3117","3126","10.1021/acs.jnatprod.6b00858","","x-ray","1.54178","CuKα","","0.0571","0.0508","","0.0841","0.0806","0.0841","","","","","","0.9989","","","","has coordinates","234080","2020-10-21","18:00:00",""
"1553305","7.9309","0.0011","10.716","0.0014","31.529","0.004","90","","90","","90","","2679.6","0.6","100","","100","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C30 H42 O5 -","- C30 H42 O5 -","- C120 H168 O20 -","4","1","","Olivier, Wesley J.; Kilah, Nathan L.; Horne, James; Bissember, Alex C.; Smith, Jason A.","ent-Labdane Diterpenoids from Dodonaea viscosa.","Journal of natural products","2016","79","12","3117","3126","10.1021/acs.jnatprod.6b00858","","x-ray","1.54178","CuKα","","0.0424","0.0386","","0.0767","0.0731","0.0767","","","","","","0.984","","","","has coordinates","234080","2020-10-21","18:00:00",""
"1553306","29.0981","0.0016","8.0421","0.0005","11.3912","0.0006","90","","104.315","0.003","90","","2582.9","0.3","100","","100","","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C28 H39 Cl O4 -","- C28 H39 Cl O4 -","- C112 H156 Cl4 O16 -","4","1","","Olivier, Wesley J.; Kilah, Nathan L.; Horne, James; Bissember, Alex C.; Smith, Jason A.","ent-Labdane Diterpenoids from Dodonaea viscosa.","Journal of natural products","2016","79","12","3117","3126","10.1021/acs.jnatprod.6b00858","","x-ray","1.54178","CuKα","","0.0476","0.0419","","0.1042","0.098","0.1042","","","","","","0.9871","","","","has coordinates","234080","2020-10-21","18:00:00",""
"1553404","10.676","0.005","12.903","0.006","14.232","0.007","109.594","0.005","94.193","0.005","100.114","0.004","1799.8","1.5","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C41 H33 Cl N4 O11 -","- C41 H32.56 Cl N4 O11 -","- C82 H65.12 Cl2 N8 O22 -","2","1","","Pepe, Giulio; Cole, Jacqueline M.; Waddell, Paul G.; Perry, James I.","Rationalizing the suitability of rhodamines as chromophores in dye-sensitized solar cells: a systematic molecular design study","Molecular Systems Design & Engineering","2016","1","4","416","","10.1039/C6ME00076B","","","0.71073","MoKα","","0.08","0.0657","","","","0.1966","","","","","","1.079","","","","has coordinates,has disorder","234772","2020-10-21","18:00:00",""
"1553405","9.494","0.005","11.509","0.006","11.755","0.006","98.007","0.006","99.366","0.01","94.805","0.007","1247.5","1.1","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C27 H29 Cl N2 O7 -","- C27 H29 Cl N2 O7 -","- C54 H58 Cl2 N4 O14 -","2","1","","Pepe, Giulio; Cole, Jacqueline M.; Waddell, Paul G.; Perry, James I.","Rationalizing the suitability of rhodamines as chromophores in dye-sensitized solar cells: a systematic molecular design study","Molecular Systems Design & Engineering","2016","1","4","416","","10.1039/C6ME00076B","","","0.71073","MoKα","","0.0781","0.0661","","","","0.1888","","","","","","1.044","","","","has coordinates","234772","2020-10-21","18:00:00",""
"1553406","12.411","0.005","21.348","0.008","12.558","0.005","90","","117.284","0.006","90","","2957","2","120","2","120","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C34 H37 Cl N2 O8 -","- C34 H37 Cl N2 O8 -","- C136 H148 Cl4 N8 O32 -","4","1","","Pepe, Giulio; Cole, Jacqueline M.; Waddell, Paul G.; Perry, James I.","Rationalizing the suitability of rhodamines as chromophores in dye-sensitized solar cells: a systematic molecular design study","Molecular Systems Design & Engineering","2016","1","4","416","","10.1039/C6ME00076B","","","0.71073","MoKα","","0.0889","0.067","","","","0.1661","","","","","","1.118","","","","has coordinates,has disorder","234772","2020-10-21","18:00:00",""
"1553418","5.9396","0.0012","11.302","0.002","13.413","0.003","96.05","0.03","99.59","0.03","101.21","0.03","862","0.3","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C21 H15 Br F N O -","- C21 H15 Br F N O -","- C42 H30 Br2 F2 N2 O2 -","2","1","","Sheng, Jinyu; Su, Xiang; Cao, Chengyao; Chen, Chao","Synthesis of benzo[1,3]oxazines via copper(i)-catalyzed cascade annulation of nitriles, aldehydes and diaryliodonium salts","Organic Chemistry Frontiers","2016","3","4","501","","10.1039/C6QO00012F","","","0.71073","MoKα","","0.0534","0.0469","","","0.1183","0.1315","","","","","","1.035","","","","has coordinates","234973","2020-10-21","18:00:00",""
"1553419","9.1158","0.0003","9.8126","0.0003","28.3116","0.0009","90","","90","","90","","2532.46","0.14","294.29","0.1","294.29","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C28 H22 F3 N O5 -","- C28 H22 F3 N O5 -","- C112 H88 F12 N4 O20 -","4","1","","Gao, Tai-Ping; Liu, Dan; Lin, Jun-Bing; Hu, Xiu-Qin; Wang, Zhu-Yin; Xu, Peng-Fei","Direct construction of chiral quaternary dihydropyranones through highly enantioselective organocatalytic hetero-Diels‒Alder reactions of olefinic azlactones","Organic Chemistry Frontiers","2016","3","5","598","","10.1039/C6QO00018E","","","1.54184","CuKα","","0.0838","0.0533","","","0.12","0.1481","","","","","","1.013","","","","has coordinates,has disorder","234975","2020-10-21","18:00:00",""
"1553420","12.5809","0.0003","8.9728","0.0002","13.319","0.0003","90","","93.554","","90","","1500.64","0.06","153","2","153","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C2.632 H5.053 N0.211 O0.526 S0.105 Si0.105 -","- C2.63158 H5.05263 N0.210526 O0.526316 S0.105263 Si0.105263 -","- C50 H96 N4 O10 S2 Si2 -","19","9.5","","Ye, Jian-Liang; Chen, Hang; Zhang, Yu-Feng; Huang, Pei-Qiang","A versatile access to vicinal diamine motifs by highly anti-selective asymmetric vinylogous Mannich reactions: an efficient total synthesis of (+)-absouline","Organic Chemistry Frontiers","2016","3","6","683","","10.1039/C6QO00022C","","","0.71073","MoKα","","0.1561","0.0612","","","0.1222","0.2001","","","","","","0.9634","","","","has coordinates","234977","2020-10-21","18:00:00",""
"1553421","11.701","0.002","14.628","0.003","25.939","0.005","90","","90","","90","","4439.8","1.5","273","2","273.15","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C1.798 H2.517 Cl0.09 N0.18 O0.404 S0.09 -","- C1.79775 H2.51685 Cl0.0898876 N0.179775 O0.404494 S0.0898876 -","- C160 H224 Cl8 N16 O36 S8 -","89","22.25","","Ye, Jian-Liang; Chen, Hang; Zhang, Yu-Feng; Huang, Pei-Qiang","A versatile access to vicinal diamine motifs by highly anti-selective asymmetric vinylogous Mannich reactions: an efficient total synthesis of (+)-absouline","Organic Chemistry Frontiers","2016","3","6","683","","10.1039/C6QO00022C","","","0.71073","MoKα","","0.093","0.0653","","","0.1515","0.1711","","","","","","1.0281","","","","has coordinates","234977","2020-10-21","18:00:00",""
"1553422","22.824","0.001","22.583","0.001","47.813","0.001","90","","90","","90","","24644.5","1.6","100","1","100","1","","","","","","","","7","P n n n :2","-P 2ab 2bc","48","","","","- C250 H238 F24 N18 O12 P4 Ru2 -","- C190 H178 F24 N18 O12 P4 Ru2 -","- C760 H712 F96 N72 O48 P16 Ru8 -","4","0.5","","Klosterman, Jeremy K.; Veliks, Janis; Frantz, Derik K.; Yasui, Yoshizumi; Loepfe, Michael; Zysman-Colman, Eli; Linden, Anthony; Siegel, Jay S.","Conformations of large macrocycles and ring-in-ring complexes","Organic Chemistry Frontiers","2016","3","6","661","","10.1039/C6QO00024J","","","0.8","synchrotronX-rays","","0.175","0.1536","","","0.4615","0.494","","","","","","2.178","","","","has coordinates","234980","2020-10-21","18:00:00",""
"1553423","20.3614","0.0003","15.5902","0.0003","30.5936","0.0005","90","","94.4504","0.0009","90","","9682.3","0.3","160","1","160","1","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C90 H102 F12 N10 O8 P2 Ru -","- C82 H90 F12 N6 O8 P2 Ru -","- C328 H360 F48 N24 O32 P8 Ru4 -","4","1","","Klosterman, Jeremy K.; Veliks, Janis; Frantz, Derik K.; Yasui, Yoshizumi; Loepfe, Michael; Zysman-Colman, Eli; Linden, Anthony; Siegel, Jay S.","Conformations of large macrocycles and ring-in-ring complexes","Organic Chemistry Frontiers","2016","3","6","661","","10.1039/C6QO00024J","","","0.71073","MoKα","","0.1644","0.1001","","","0.2714","0.3174","","","","","","1.032","","","","has coordinates,has disorder","234980","2020-10-21","18:00:00",""
"1553424","11.0301","0.0002","12.3939","0.0004","21.8715","0.0007","76.878","0.0012","78.788","0.0019","87.305","0.002","2856.3","0.14","160","1","160","1","","","","","","","","7","P -1","-P 1","2","","","","- C102 H130 F12 N10 O26 S4 Zn2 -","- C102 H130 F12 N10 O26 S4 Zn2 -","- C102 H130 F12 N10 O26 S4 Zn2 -","1","0.5","","Klosterman, Jeremy K.; Veliks, Janis; Frantz, Derik K.; Yasui, Yoshizumi; Loepfe, Michael; Zysman-Colman, Eli; Linden, Anthony; Siegel, Jay S.","Conformations of large macrocycles and ring-in-ring complexes","Organic Chemistry Frontiers","2016","3","6","661","","10.1039/C6QO00024J","","","0.71073","MoKα","","0.0704","0.0495","","","0.115","0.1256","","","","","","1.035","","","","has coordinates,has disorder","234980","2020-10-21","18:00:00",""
"1553425","15.004","0.0005","15.1525","0.0004","21.5611","0.0007","98.4023","0.0018","98.0121","0.0012","108.321","0.002","4512.9","0.3","160","1","160","1","","","","","","","","8","P -1","-P 1","2","","","","- C155 H166 Cl22 F24 N12 O12 P4 Ru2 -","- C144 H144 F24 N12 O12 P4 Ru2 -","- C144 H144 F24 N12 O12 P4 Ru2 -","1","0.5","","Klosterman, Jeremy K.; Veliks, Janis; Frantz, Derik K.; Yasui, Yoshizumi; Loepfe, Michael; Zysman-Colman, Eli; Linden, Anthony; Siegel, Jay S.","Conformations of large macrocycles and ring-in-ring complexes","Organic Chemistry Frontiers","2016","3","6","661","","10.1039/C6QO00024J","","","0.71073","MoKα","","0.0964","0.0627","","","0.1493","0.1674","","","","","","1.023","","","","has coordinates,has disorder","234980","2020-10-21","18:00:00",""
"1553426","14.556","0.001","24.668","0.001","26.949","0.001","90","","93.27","0.01","90","","9660.8","0.9","100","2","100","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C98 H98 Br2 F12 N16 O10 P2 Ru -","- C78 H68 Br2 F12 N6 O10 P2 Ru -","- C312 H272 Br8 F48 N24 O40 P8 Ru4 -","4","1","","Veliks, Janis; Seifert, Helen M.; Frantz, Derik K.; Klosterman, Jeremy K.; Tseng, Jui-Chang; Linden, Anthony; Siegel, Jay S.","Towards the molecular Borromean link with three unequal rings: double-threaded ruthenium(ii) ring-in-ring complexes","Organic Chemistry Frontiers","2016","3","6","667","","10.1039/C6QO00025H","","","0.6916","synchrotronX-rays","","0.0797","0.0693","","","0.2007","0.2072","","","","","","1.054","","","","has coordinates","234983","2020-10-21","18:00:00",""
"1553427","13.6711","0.0002","16.967","0.0002","22.4266","0.0003","71.073","0.001","82.622","0.001","68.288","0.001","4571.45","0.11","160","1","160","1","","","","","","","","7","P -1","-P 1","2","","","","- C180 H194 F24 N22 O18 P4 Ru2 -","- C168 H176 F24 N16 O18 P4 Ru2 -","- C168 H176 F24 N16 O18 P4 Ru2 -","1","0.5","","Veliks, Janis; Seifert, Helen M.; Frantz, Derik K.; Klosterman, Jeremy K.; Tseng, Jui-Chang; Linden, Anthony; Siegel, Jay S.","Towards the molecular Borromean link with three unequal rings: double-threaded ruthenium(ii) ring-in-ring complexes","Organic Chemistry Frontiers","2016","3","6","667","","10.1039/C6QO00025H","","","1.54184","CuKα","","0.0803","0.069","","","0.2021","0.2134","","","","","","1.072","","","","has coordinates,has disorder","234983","2020-10-21","18:00:00",""
"1553428","19.5895","0.001","7.0388","0.0003","9.2405","0.0004","90","","91.626","0.004","90","","1273.63","0.1","100","0.1","100","0.1","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C14 H16 O5 -","- C14 H16 O5 -","- C56 H64 O20 -","4","1","","Yu, Jingxun; Ma, Haichen; Yao, Hongliang; Cheng, Hang; Tong, Rongbiao","Diastereoselective and regiodivergent oxa-[3 + 2] cycloaddition of Achmatowicz products and cyclic 1,3-dicarbonyl compounds","Organic Chemistry Frontiers","2016","3","6","714","","10.1039/C6QO00034G","","x-ray","0.71073","MoKα","","0.0674","0.0452","","","0.0972","0.1067","","","","","","1.002","","","","has coordinates","234985","2020-10-21","18:00:00",""
"1553429","8.144","0.0006","14.5913","0.001","11.013","0.0007","90","","94.901","0.007","90","","1303.91","0.16","100.01","0.1","100.01","0.1","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C14 H16 O5 -","- C14 H16 O5 -","- C56 H64 O20 -","4","1","","Yu, Jingxun; Ma, Haichen; Yao, Hongliang; Cheng, Hang; Tong, Rongbiao","Diastereoselective and regiodivergent oxa-[3 + 2] cycloaddition of Achmatowicz products and cyclic 1,3-dicarbonyl compounds","Organic Chemistry Frontiers","2016","3","6","714","","10.1039/C6QO00034G","","x-ray","0.71073","MoKα","","0.1435","0.0596","","","0.0906","0.1137","","","","","","1.001","","","","has coordinates","234985","2020-10-21","18:00:00",""
"1553430","8.1449","0.0002","10.8999","0.0004","16.4545","0.0006","90","","90","","90","","1460.81","0.08","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C17 H16 Cl N O2 -","- C17 H16 Cl N O2 -","- C68 H64 Cl4 N4 O8 -","4","1","","Vyas, Vijyesh K.; Bhanage, Bhalchandra M.","Asymmetric transfer hydrogenation of seven membered tricyclic ketones: N-substituted dibenzo[b,e]azepine-6,11-dione driven by nonclassical CH/O interactions","Organic Chemistry Frontiers","2016","3","5","614","","10.1039/C6QO00036C","","x-ray","1.54184","CuKα","","0.0619","0.05","","","0.1187","0.1301","","","","","","1.028","","","","has coordinates","234987","2020-10-21","18:00:00",""
"1553431","9.837","0.002","10.113","0.002","14.456","0.003","90","","106.063","0.008","90","","1382","0.5","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C31 H28 N4 O3 -","- C31 H28 N4 O3 -","- C62 H56 N8 O6 -","2","1","","Zhu, Yi; Li, Yao; Meng, Qingbin; Li, Xin","An organocatalytic enantioselective vinylogous Mannich reaction of α,α-dicyanoolefins with isatin N-Boc ketimines","Organic Chemistry Frontiers","2016","3","6","709","","10.1039/C6QO00038J","","","1.54187","CuKα","","0.0283","0.0278","","","0.0742","0.0783","","","","","","1.069","","","","has coordinates","234989","2020-10-21","18:00:00",""
"1553432","7.7032","0.001","16.441","0.002","14.9629","0.0018","90","","90","","90","","1895","0.4","293","2","293","2","","","","","","","","5","P c a 21","P 2c -2ac","29","4a","4a","","- C23 H15 Cl3 N2 O2 -","- C23 H15 Cl3 N2 O2 -","- C92 H60 Cl12 N8 O8 -","4","1","","Zhang, Zeyuan; Dai, Zhen; Ma, Xinkun; Liu, Yihan; Ma, Xiaojun; Li, Wanli; Ma, Chen","Cu-catalyzed one-pot synthesis of fused oxazepinone derivatives via sp2 C‒H and O‒H cross-dehydrogenative coupling","Organic Chemistry Frontiers","2016","3","7","799","","10.1039/C6QO00040A","","","0.71","MoKα","","0.0947","0.0629","","","0.1296","0.1592","","","","","","1.006","","","","has coordinates","234991","2020-10-21","18:00:00",""
"1553433","7.147","0.0016","7.9449","0.0018","16.405","0.004","101.767","0.002","96.018","0.002","106.731","0.0018","859.9","0.3","298","2","298.15","","","","","","","","","5","P -1","-P 1","2","3k","3k","","- C21 H12 Cl N3 O2 -","- C21 H12 Cl N3 O2 -","- C42 H24 Cl2 N6 O4 -","2","1","","Zhang, Zeyuan; Dai, Zhen; Ma, Xinkun; Liu, Yihan; Ma, Xiaojun; Li, Wanli; Ma, Chen","Cu-catalyzed one-pot synthesis of fused oxazepinone derivatives via sp2 C‒H and O‒H cross-dehydrogenative coupling","Organic Chemistry Frontiers","2016","3","7","799","","10.1039/C6QO00040A","","","0.71","MoKα","","0.0561","0.0422","","","0.141","0.155","","","","","","1.16","","","","has coordinates","234991","2020-10-21","18:00:00",""
"1553434","9.986","0.007","15.521","0.011","8.74","0.006","90","","101.027","0.009","90","","1329.6","1.6","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H11 Br O2 -","- C16 H11 Br O2 -","- C64 H44 Br4 O8 -","4","1","","Qiu, Guanyinsheng; Liu, Tong; Ding, Qiuping","Tandem oxidative radical brominative addition of activated alkynes and spirocyclization: switchable synthesis of 3-bromocoumarins and 3-bromo spiro-[4,5] trienone","Organic Chemistry Frontiers","2016","3","4","510","","10.1039/C6QO00041J","","","0.71073","MoKα","","0.0571","0.0369","","","0.0878","0.0934","","","","","","0.896","","","","has coordinates","234993","2020-10-21","18:00:00",""
"1553435","6.3266","0.0006","11.3868","0.0011","18.6894","0.0019","94.305","0.002","99.144","0.002","100.166","0.002","1301","0.2","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C37 H24 O3 -","- C37 H24 O3 -","- C74 H48 O6 -","2","1","","Wang, Lei; Zhang, Jianwei; Lang, Ming; Wang, Jian","Palladium-catalyzed ring contraction reaction of naphthoquinones upon reaction with alkynes","Organic Chemistry Frontiers","2016","3","5","603","","10.1039/C6QO00045B","","","0.71073","MoKα","","0.0539","0.047","","","0.1316","0.1432","","","","","","1.062","","","","has coordinates","234995","2020-10-21","18:00:00",""
"1553436","6.514","0.0009","11.9444","0.0016","17.215","0.002","93.28","0.003","94.949","0.003","104.241","0.003","1289.2","0.3","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C37 H26 O2 -","- C37 H26 O2 -","- C74 H52 O4 -","2","1","","Wang, Lei; Zhang, Jianwei; Lang, Ming; Wang, Jian","Palladium-catalyzed ring contraction reaction of naphthoquinones upon reaction with alkynes","Organic Chemistry Frontiers","2016","3","5","603","","10.1039/C6QO00045B","","","0.71073","MoKα","","0.0549","0.045","","","0.1126","0.1179","","","","","","1.045","","","","has coordinates","234995","2020-10-21","18:00:00",""
"1553437","12.8713","0.0007","12.9061","0.0008","18.4438","0.0011","83.491","0.001","70.221","0.001","87.197","0.001","2864.3","0.3","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C38 H27 N O3.5 -","- C38 H27 N O3.5 -","- C152 H108 N4 O14 -","4","2","","Wang, Lei; Zhang, Jianwei; Lang, Ming; Wang, Jian","Palladium-catalyzed ring contraction reaction of naphthoquinones upon reaction with alkynes","Organic Chemistry Frontiers","2016","3","5","603","","10.1039/C6QO00045B","","","0.71073","MoKα","","0.0783","0.0591","","","0.1486","0.164","","","","","","1.035","","","","has coordinates,has disorder","234995","2020-10-21","18:00:00",""
"1553438","9.5936","0.0012","9.4163","0.0012","34.688","0.005","90","","93.15","0.003","90","","3128.8","0.7","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C41 H34 O6 -","- C41 H34 O6 -","- C164 H136 O24 -","4","1","","Wang, Lei; Zhang, Jianwei; Lang, Ming; Wang, Jian","Palladium-catalyzed ring contraction reaction of naphthoquinones upon reaction with alkynes","Organic Chemistry Frontiers","2016","3","5","603","","10.1039/C6QO00045B","","","0.71073","MoKα","","0.068","0.0483","","","0.1235","0.1367","","","","","","1.037","","","","has coordinates","234995","2020-10-21","18:00:00",""
"1553439","9.837","0.002","10.766","0.002","13.71","0.003","87.68","0.03","77.4","0.03","71.54","0.03","1343.4","0.6","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C38 H26 O2 -","- C38 H26 O2 -","- C76 H52 O4 -","2","1","","Wang, Lei; Zhang, Jianwei; Lang, Ming; Wang, Jian","Palladium-catalyzed ring contraction reaction of naphthoquinones upon reaction with alkynes","Organic Chemistry Frontiers","2016","3","5","603","","10.1039/C6QO00045B","","","0.71073","MoKα","","0.0713","0.0533","","","0.1418","0.1527","","","","","","1.054","","","","has coordinates","234995","2020-10-21","18:00:00",""
"1553440","26.128","0.002","8.1552","0.0008","21.487","0.002","90","","119.724","0.002","90","","3976","0.6","100","2","100","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C29 H20 O -","- C29 H20 O -","- C232 H160 O8 -","8","1","","Wang, Lei; Zhang, Jianwei; Lang, Ming; Wang, Jian","Palladium-catalyzed ring contraction reaction of naphthoquinones upon reaction with alkynes","Organic Chemistry Frontiers","2016","3","5","603","","10.1039/C6QO00045B","","","0.71073","MoKα","","0.0664","0.0532","","","0.1243","0.1312","","","","","","1.065","","","","has coordinates","234995","2020-10-21","18:00:00",""
"1553441","19.7803","0.0006","8.925","0.0003","17.1219","0.0005","90","","93.062","0.001","90","","3018.37","0.16","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C71 H64 O24 -","- C71 H64 O24 -","- C142 H128 O48 -","2","0.5","","Leowanawat, Pawaret; Nowak-Król, Agnieszka; Würthner, Frank","Tetramethoxy-bay-substituted perylene bisimides by copper-mediated cross-coupling","Organic Chemistry Frontiers","2016","3","5","537","","10.1039/C6QO00047A","","","1.54178","CuKα","","0.0541","0.0448","","","0.1018","0.108","","","","","","1.081","","","","has coordinates,has disorder","234997","2020-10-21","18:00:00",""
"1553442","13.1094","0.0007","8.943","0.0005","14.6031","0.0009","90","","105.214","0.002","90","","1652.03","0.16","103","2","103","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C20 H24 N2 -","- C20 H24 N2 -","- C80 H96 N8 -","4","1","","Peng, Xingao; Kaga, Atsushi; Hirao, Hajime; Chiba, Shunsuke","Hydroamination of alkenyl N-arylhydrazones mediated by t-BuOK for the synthesis of nitrogen heterocycles","Organic Chemistry Frontiers","2016","3","5","609","","10.1039/C6QO00053C","","","0.71073","MoKα","","0.053","0.0421","","","0.1089","0.1168","","","","","","1.027","","","","has coordinates","234999","2020-10-21","18:00:00",""
"1553443","11.6939","0.0007","9.4598","0.0005","16.9069","0.001","90","","91.481","0.003","90","","1869.65","0.19","103","2","103","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C23 H24 N2 S -","- C23 H24 N2 S -","- C92 H96 N8 S4 -","4","1","","Peng, Xingao; Kaga, Atsushi; Hirao, Hajime; Chiba, Shunsuke","Hydroamination of alkenyl N-arylhydrazones mediated by t-BuOK for the synthesis of nitrogen heterocycles","Organic Chemistry Frontiers","2016","3","5","609","","10.1039/C6QO00053C","","","0.71073","MoKα","","0.0851","0.0497","","","0.1172","0.1342","","","","","","1.042","","","","has coordinates","234999","2020-10-21","18:00:00",""
"1553444","5.9262","0.0004","8.0475","0.0005","31.957","0.002","90","","90","","90","","1524.06","0.17","294","2","294","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H16 O3 S -","- C16 H16 O3 S -","- C64 H64 O12 S4 -","4","1","","Phanindrudu, Mandalaparthi; Tiwari, Dipak Kumar; Sridhar, B.; Likhar, Pravin R.; Tiwari, Dharmendra Kumar","Magnetically separable nano-copper catalyzed unprecedented stereoselective synthesis of E-vinyl sulfones from tosylmethyl isocyanide and alkynes: TosMIC as a source of the sulfonyl group","Organic Chemistry Frontiers","2016","3","7","795","","10.1039/C6QO00063K","","","0.71073","MoKα","","0.089","0.0663","","","0.1648","0.1804","","","","","","1.117","","","","has coordinates,has disorder","235001","2020-10-21","18:00:00",""
"1553445","13.4028","0.0008","11.2931","0.0006","14.0439","0.0008","90","","91.99","0.002","90","","2124.4","0.2","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C23 H20 Br2 N2 O2 -","- C23 H20 Br2 N2 O2 -","- C92 H80 Br8 N8 O8 -","4","1","","Hu, Haoxiang; Wang, Yidong; Qian, Deyun; Zhang, Zhan-Ming; Liu, Lu; Zhang, Junliang","Enantioselective gold-catalyzed intermolecular [2 + 2]-cycloadditions of 3-styrylindoles with N-allenyl oxazolidinone","Organic Chemistry Frontiers","2016","3","6","759","","10.1039/C6QO00087H","","","0.71073","MoKα","","0.0723","0.0423","","","0.1003","0.116","","","","","","1.026","","","","has coordinates","235003","2020-10-21","18:00:00",""
"1553446","12.5457","0.0006","22.382","0.001","12.6621","0.0005","90","","92.052","0.001","90","","3553.2","0.3","173","2","173","2","","","","","","","","8","P 1 21 1","P 2yb","4","","","","- C36 H56 Au Cl N O P S -","- C36 H56 Au Cl N O P S -","- C144 H224 Au4 Cl4 N4 O4 P4 S4 -","4","2","","Hu, Haoxiang; Wang, Yidong; Qian, Deyun; Zhang, Zhan-Ming; Liu, Lu; Zhang, Junliang","Enantioselective gold-catalyzed intermolecular [2 + 2]-cycloadditions of 3-styrylindoles with N-allenyl oxazolidinone","Organic Chemistry Frontiers","2016","3","6","759","","10.1039/C6QO00087H","","","0.71073","MoKα","","0.0372","0.033","","","0.0732","0.0763","","","","","","1.044","","","","has coordinates","235003","2020-10-21","18:00:00",""
"1553447","21.51","0.02","10.73","0.01","19.7","0.019","90","","113.492","0.012","90","","4170","7","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C26 H21 N O3 S -","- C26 H21 N O3 S -","- C208 H168 N8 O24 S8 -","8","1","","Gong, Xinxing; Xia, Hongguang; Wu, Jie","A palladium-catalyzed tandem reaction of 2-alkynylbenzenesulfonamides with 2-(2-bromoarylidene)cyclobutanones","Organic Chemistry Frontiers","2016","3","6","697","","10.1039/C6QO00091F","","","0.71073","MoKα","","0.1656","0.1158","","","0.3092","0.3265","","","","","","1.056","","","","has coordinates","235005","2020-10-21","18:00:00",""
"1553448","10.5273","0.0012","11.4221","0.0014","34.217","0.004","90.072","0.003","98.137","0.003","105.697","0.003","3917.7","0.8","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C23 H21 F N4 -","- C23 H21 F N4 -","- C184 H168 F8 N32 -","8","4","","Jiang, Yu; Wang, Qiang; Sun, Run; Tang, Xiang-Ying; Shi, Min","Base-induced synthesis of N-dialkylaminomethyl-2H-1,2,3-triazoles from N-sulfonyl-1,2,3-triazoles","Organic Chemistry Frontiers","2016","3","6","744","","10.1039/C6QO00102E","","","0.71073","MoKα","","0.1396","0.0679","","","0.1742","0.2272","","","","","","0.958","","","","has coordinates","235007","2020-10-21","18:00:00",""
"1553449","9.02156","0.00013","9.44417","0.00011","30.948","0.0004","90","","90","","90","","2636.81","0.06","291.29","0.1","291.29","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C32 H25 N O6 -","- C32 H25 N O5.955 -","- C128 H100 N4 O23.82 -","4","1","","Ran, Guang-Yao; Wang, Pan; Du, Wei; Chen, Ying-Chun","α-Regioselective [3 + 2] annulations with Morita‒Baylis‒Hillman carbonates of isatins and 2-nitro-1,3-enynes","Organic Chemistry Frontiers","2016","3","7","861","","10.1039/C6QO00118A","","x-ray","1.54184","CuKα","","0.0536","0.0532","","","0.1478","0.1485","","","","","","1.029","","","","has coordinates,has disorder","235009","2020-10-21","18:00:00",""
"1553450","7.187","0.003","10.356","0.004","11.075","0.004","66.214","0.01","86.273","0.017","89.284","0.017","752.6","0.5","173.15","","173.15","","","","","","","","","4","P -1","-P 1","2","","","","- C21 H13 N S -","- C21 H13 N S -","- C42 H26 N2 S2 -","2","1","","Wen, Li-Rong; Shen, Qiang-Yu; Guo, Wei-Si; Li, Ming","Copper-catalyzed tandem arylation‒cyclization of 2-alkynylaryl isothiocyanates with diaryliodonium salts: an efficient synthesis of thiochromeno[2,3-b]indoles","Organic Chemistry Frontiers","2016","3","7","870","","10.1039/C6QO00133E","","","0.71073","MoKα","","0.0659","0.0583","","","0.1187","0.1224","","","","","","1.176","","","","has coordinates","235011","2020-10-21","18:00:00",""
"1553451","11.0789","0.0015","11.6353","0.0015","16.29","0.003","93.084","0.009","106.29","0.01","115.259","0.008","1786.1","0.5","173.15","","173.15","","","","","","","","","5","P -1","-P 1","2","","","","- C22 H17 N O2 S -","- C22 H17 N O2 S -","- C88 H68 N4 O8 S4 -","4","2","","Wen, Li-Rong; Shen, Qiang-Yu; Guo, Wei-Si; Li, Ming","Copper-catalyzed tandem arylation‒cyclization of 2-alkynylaryl isothiocyanates with diaryliodonium salts: an efficient synthesis of thiochromeno[2,3-b]indoles","Organic Chemistry Frontiers","2016","3","7","870","","10.1039/C6QO00133E","","","0.71073","MoKα","","0.0546","0.0487","","","0.16","0.1651","","","","","","1.227","","","","has coordinates","235011","2020-10-21","18:00:00",""
"1553452","13.5013","0.001","18.6052","0.0013","13.6121","0.0009","90","","106.649","0.008","90","","3275.9","0.4","291","2","291","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C19 H17 N O5 -","- C19 H17 N O5 -","- C152 H136 N8 O40 -","8","2","","Görgen née Boersch, Christina; Lutsenko, Kiril; Merkul, Eugen; Frank, Walter; Müller, Thomas J. J.","Catalytic one-pot synthesis of 4-(hetero)aryl substituted 5-(2-oxoethyl) oxazol-2(3H)-ones by coupling‒isomerization‒elimination (CIE) sequence","Organic Chemistry Frontiers","2016","3","7","887","","10.1039/C6QO00138F","","","0.71073","MoKα","","0.0705","0.0318","","","0.0553","0.0581","","","","","","0.8","","","","has coordinates","235014","2020-10-21","18:00:00",""
"1553453","8.4973","0.001","40.566","0.006","26.516","0.004","90","","97.469","0.004","90","","9063","2","200","2","200","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","ru_nts_coord_diester_7a","","","- C48 H53 Cl2 N3 O6 Ru S -","- C48 H53 Cl2 N3 O6 Ru S -","- C384 H424 Cl16 N24 O48 Ru8 S8 -","8","2","","Sabbasani, Venkata R.; Yun, Sang Young; Lee, Daesung","Structure and reactivity of sulfonamide- and acetate-chelated ruthenium alkylidene complexes","Organic Chemistry Frontiers","2016","3","8","939","","10.1039/C6QO00148C","","","0.71073","","","0.186","0.0803","","","0.1831","0.244","","","","","","1.035","","","","has coordinates","235018","2020-10-21","18:00:00",""
"1553454","16.8326","0.0017","12.2762","0.0018","20.4575","0.0012","90","","90","","90","","4227.3","0.8","200","2","200","2","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C44 H49 Cl2 N3 O3 Ru S -","- C44 H49 Cl2 N3 O3 Ru S -","- C176 H196 Cl8 N12 O12 Ru4 S4 -","4","1","","Sabbasani, Venkata R.; Yun, Sang Young; Lee, Daesung","Structure and reactivity of sulfonamide- and acetate-chelated ruthenium alkylidene complexes","Organic Chemistry Frontiers","2016","3","8","939","","10.1039/C6QO00148C","","","0.71073","MoKα","","0.0556","0.0353","","","0.0837","0.0953","","","","","","1.084","","","","has coordinates,has disorder","235018","2020-10-21","18:00:00",""
"1553455","11.3136","0.0015","21.889","0.003","16.102","0.003","90","","97.063","0.005","90","","3957.3","1.1","200","2","200","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","vs_nts_vs_oac_2","","","- C40 H47 Cl2 N3 O4 Ru S -","- C40 H47 Cl2 N3 O4 Ru S -","- C160 H188 Cl8 N12 O16 Ru4 S4 -","4","1","","Sabbasani, Venkata R.; Yun, Sang Young; Lee, Daesung","Structure and reactivity of sulfonamide- and acetate-chelated ruthenium alkylidene complexes","Organic Chemistry Frontiers","2016","3","8","939","","10.1039/C6QO00148C","","","0.71073","MoKα","","0.0622","0.0479","","","0.1348","0.1589","","","","","","1.122","","","","has coordinates","235018","2020-10-21","18:00:00",""
"1553456","20.114","0.003","8.8782","0.001","20.665","0.003","90","","105.736","0.004","90","","3552","0.8","300","2","300","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C36 H46 Cl2 N2 O3 Ru -","- C36 H46 Cl2 N2 O3 Ru -","- C144 H184 Cl8 N8 O12 Ru4 -","4","1","","Sabbasani, Venkata R.; Yun, Sang Young; Lee, Daesung","Structure and reactivity of sulfonamide- and acetate-chelated ruthenium alkylidene complexes","Organic Chemistry Frontiers","2016","3","8","939","","10.1039/C6QO00148C","","","0.71073","MoKα","","0.0939","0.0789","","","0.2425","0.253","","","","","","1.218","","","","has coordinates,has disorder","235018","2020-10-21","18:00:00",""
"1553457","12.073","0.0019","18.008","0.003","10.7084","0.0015","90","","90","","90","","2328.1","0.6","199","2","199","2","","","","","","","","6","P 21 21 2","P 2 2ab","18","","","","- C22 H26 Cl3 N2 O Ru -","- C22 H26 Cl2.5 N2 O Ru -","- C88 H104 Cl10 N8 O4 Ru4 -","4","1","","Sabbasani, Venkata R.; Yun, Sang Young; Lee, Daesung","Structure and reactivity of sulfonamide- and acetate-chelated ruthenium alkylidene complexes","Organic Chemistry Frontiers","2016","3","8","939","","10.1039/C6QO00148C","","","0.71073","","","0.0935","0.0548","","","0.1458","0.1765","","","","","","1.085","","","","has coordinates","235018","2020-10-21","18:00:00",""
"1553458","40.354","0.008","40.354","0.008","14.657","0.003","90","","90","","120","","20670","7","200","2","200","2","","","","","","","","7","R -3 :H","-R 3","148","vs_nts_ru2","","","- C42 H43 Cl2 N3 O4 Ru S -","- C42 H43 Cl2 N3 O4 Ru S -","- C756 H774 Cl36 N54 O72 Ru18 S18 -","18","1","","Sabbasani, Venkata R.; Yun, Sang Young; Lee, Daesung","Structure and reactivity of sulfonamide- and acetate-chelated ruthenium alkylidene complexes","Organic Chemistry Frontiers","2016","3","8","939","","10.1039/C6QO00148C","","","0.71073","","","0.0857","0.066","","","0.1839","0.1966","","","","","","1.297","","","","has coordinates","235018","2020-10-21","18:00:00",""
"1553459","10.0639","0.0019","8.163","0.0016","20.469","0.004","90","","101.995","0.003","90","","1644.8","0.6","200","2","200","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","3ak in manuscript","","","- C14 H10 F12 N2 -","- C14 H10 F12 N2 -","- C56 H40 F48 N8 -","4","1","","Xie, Jin; Li, Jian; Wurm, Thomas; Weingand, Vanessa; Sung, Hui-Ling; Rominger, Frank; Rudolph, Matthias; Hashmi, A. Stephen K.","A general photoinduced electron transfer-directed chemoselective perfluoroalkylation of N,N-dialkylhydrazones","Organic Chemistry Frontiers","2016","3","7","841","","10.1039/C6QO00158K","","","0.71073","MoKα","","0.125","0.0629","","","0.1353","0.1556","","","","","","1.053","","","","has coordinates,has disorder","235020","2020-10-21","18:00:00",""
"1553460","16.558","0.003","17.307","0.004","19.571","0.004","90","","90","","90","","5608","2","173.15","","173.15","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C27 H26 Cl2 F3 N7 S -","- C27 H26 Cl2 F3 N7 S -","- C216 H208 Cl16 F24 N56 S8 -","8","1","","Wang, Fei; Zhao, Liang; You, Jingsong; Wang, Mei-Xiang","Synthesis of trifluoromethylthiolated azacalix[1]arene[3]pyridines from the Cu(ii)-mediated direct trifluoromethylthiolation reaction of arenes via reactive arylcopper(iii) intermediates","Organic Chemistry Frontiers","2016","3","7","880","","10.1039/C6QO00161K","","","0.71073","MoKα","","0.0947","0.0895","","","0.2241","0.2349","","","","","","1.243","","","","has coordinates,has disorder","235022","2020-10-21","18:00:00",""
"1553461","9.817","0.002","11.968","0.002","13.149","0.003","102.73","0.03","99.17","0.03","104.43","0.03","1421.3","0.6","173.15","","173.15","","","","","","","","","5","P -1","-P 1","2","","","","- C27 H23 F6 N7 S2 -","- C27 H23 F6 N7 S2 -","- C54 H46 F12 N14 S4 -","2","1","","Wang, Fei; Zhao, Liang; You, Jingsong; Wang, Mei-Xiang","Synthesis of trifluoromethylthiolated azacalix[1]arene[3]pyridines from the Cu(ii)-mediated direct trifluoromethylthiolation reaction of arenes via reactive arylcopper(iii) intermediates","Organic Chemistry Frontiers","2016","3","7","880","","10.1039/C6QO00161K","","","0.71073","MoKα","","0.0544","0.0491","","","0.1644","0.1691","","","","","","1.29","","","","has coordinates","235022","2020-10-21","18:00:00",""
"1553462","14.717","0.003","15.564","0.003","12.282","0.003","90","","103.48","0.03","90","","2735.8","1.1","173.15","","173.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C27 H23 F6 N7 S2 -","- C27 H23 F6 N7 S2 -","- C108 H92 F24 N28 S8 -","4","1","","Wang, Fei; Zhao, Liang; You, Jingsong; Wang, Mei-Xiang","Synthesis of trifluoromethylthiolated azacalix[1]arene[3]pyridines from the Cu(ii)-mediated direct trifluoromethylthiolation reaction of arenes via reactive arylcopper(iii) intermediates","Organic Chemistry Frontiers","2016","3","7","880","","10.1039/C6QO00161K","","","0.71073","MoKα","","0.0733","0.0659","","","0.1403","0.1443","","","","","","1.181","","","","has coordinates","235022","2020-10-21","18:00:00",""
"1553463","10.82","0.006","10.975","0.006","11.163","0.006","74.634","0.005","62.808","0.005","65.132","0.005","1065.4","1","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C17 H25 Cl2 N3 O4 S -","- C17 H25 Cl2 N3 O4 S -","- C34 H50 Cl4 N6 O8 S2 -","2","1","","Zhou, Kaida; Xia, Hongguang; Wu, Jie","Generation of (2-oxoindolin-3-yl)methanesulfonohydrazides via a photo-induced reaction of N-(2-iodoaryl)acrylamide, DABSO, and hydrazine","Organic Chemistry Frontiers","2016","3","7","865","","10.1039/C6QO00163G","","","0.71073","MoKα","","0.0899","0.0806","","","0.2404","0.2518","","","","","","1.058","","","","has coordinates","235024","2020-10-21","18:00:00",""
"1553464","11.266","0.0013","12.1474","0.0015","16.278","0.0019","73.095","0.003","73.52","0.003","84.96","0.003","2043.8","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H18 F3 N O6 -","- C22 H18 F3 N O6 -","- C88 H72 F12 N4 O24 -","4","2","","Li, Zong-Rui; Bao, Xing-Xing; Sun, Jian; Shen, Jing; Wu, Dun-Qi; Liu, Yan-Kai; Deng, Qing-Hai; Liu, Feng","Iron-catalyzed trifluoromethylation of vinylcyclopropanes: facile synthesis of CF3‒containing dihydronaphthalene derivatives","Organic Chemistry Frontiers","2016","3","8","934","","10.1039/C6QO00166A","","","0.71073","MoKα","","0.0784","0.0537","","","0.1486","0.1685","","","","","","1.014","","","","has coordinates","235026","2020-10-21","18:00:00",""
"1553465","25.856","0.0009","5.37038","0.00017","21.5154","0.0007","90","","101.646","0.003","90","","2926.05","0.17","99.98","0.11","99.98","0.11","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","8a","","- C16 H16 B N3 O2 -","- C16 H16 B N3 O2 -","- C128 H128 B8 N24 O16 -","8","1","","Zhai, Wenlei; Chapin, Brette M.; Yoshizawa, Akina; Wang, Hui-Chen; Hodge, Stephen A.; James, Tony D.; Anslyn, Eric V.; Fossey, John S.","“Click-fluors”: triazole-linked saccharide sensors","Organic Chemistry Frontiers","2016","3","8","918","","10.1039/C6QO00171H","","x-ray","0.71073","MoKα","","0.0491","0.0418","","","0.1011","0.1059","","","","","","1.09","","","","has coordinates","235028","2020-10-21","18:00:00",""
"1553466","7.1065","0.0004","9.0913","0.0006","17.685","0.0011","81.994","0.005","84.409","0.005","68.79","0.006","1053.43","0.12","99.9","0.2","99.9","0.2","","","","","","","","5","P -1","-P 1","2","","13a","","- C24 H24 B N3 O4 -","- C24 H24 B N3 O4 -","- C48 H48 B2 N6 O8 -","2","1","","Zhai, Wenlei; Chapin, Brette M.; Yoshizawa, Akina; Wang, Hui-Chen; Hodge, Stephen A.; James, Tony D.; Anslyn, Eric V.; Fossey, John S.","“Click-fluors”: triazole-linked saccharide sensors","Organic Chemistry Frontiers","2016","3","8","918","","10.1039/C6QO00171H","","x-ray","1.54184","CuKα","","0.0539","0.0443","","","0.1147","0.1232","","","","","","1.042","","","","has coordinates","235028","2020-10-21","18:00:00",""
"1553467","4.4197","0.0005","11.6677","0.0013","22.915","0.002","90","","90","","90","","1181.7","0.2","173","","173","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C14 H10 Br N O2 -","- C14 H10 Br N O2 -","- C56 H40 Br4 N4 O8 -","4","1","","Zhang, Xu; Xu, Bin; Xu, Ming-Hua","Rhodium-catalyzed asymmetric arylation of N- and O-containing cyclic aldimines: facile and efficient access to highly optically active 3,4-dihydrobenzo[1,4]oxazin-2-ones and dihydroquinoxalinones","Organic Chemistry Frontiers","2016","3","8","944","","10.1039/C6QO00191B","","","0.71073","MoKα","","0.1053","0.0562","","","0.0883","0.0994","","","","","","1.021","","","","has coordinates","277994","2022-09-20","08:32:41",""
"1553468","9.4647","0.0007","12.7252","0.0009","11.5908","0.0008","90","","108.624","0.001","90","","1322.9","0.16","100","2","100","2","","","","","","","","5","P 1 c 1","P -2yc","7","","","","- C14 H15 Cl N2 Pd -","- C14 H15 Cl N2 Pd -","- C56 H60 Cl4 N8 Pd4 -","4","2","","Roffe, Gavin W.; Tizzard, Graham J.; Coles, Simon J.; Cox, Hazel; Spencer, John","Synthesis of unsymmetrical NCN′ and PCN pincer palladacycles and their catalytic evaluation compared with a related SCN pincer palladacycle","Organic Chemistry Frontiers","2016","3","8","957","","10.1039/C6QO00198J","","","0.71075","MoKα","","0.0332","0.0331","","","0.0883","0.0884","","","","","","1.097","","","","has coordinates","235032","2020-10-21","18:00:00",""
"1553469","9.6575","0.0007","11.675","0.0008","26.2578","0.0018","90","","92.079","0.001","90","","2958.7","0.4","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H19 Cl N2 Pd -","- C16 H19 Cl N2 Pd -","- C128 H152 Cl8 N16 Pd8 -","8","2","","Roffe, Gavin W.; Tizzard, Graham J.; Coles, Simon J.; Cox, Hazel; Spencer, John","Synthesis of unsymmetrical NCN′ and PCN pincer palladacycles and their catalytic evaluation compared with a related SCN pincer palladacycle","Organic Chemistry Frontiers","2016","3","8","957","","10.1039/C6QO00198J","","x-ray","0.71075","MoKα","","0.0257","0.0229","","","0.0604","0.0616","","","","","","1.067","","","","has coordinates","235032","2020-10-21","18:00:00",""
"1553470","6.9704","0.0005","17.1706","0.0011","12.2014","0.0009","90","","97.943","0.002","90","","1446.33","0.18","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C16 H17 Cl N2 O Pd -","- C16 H17 Cl N2 O Pd -","- C64 H68 Cl4 N8 O4 Pd4 -","4","1","","Roffe, Gavin W.; Tizzard, Graham J.; Coles, Simon J.; Cox, Hazel; Spencer, John","Synthesis of unsymmetrical NCN′ and PCN pincer palladacycles and their catalytic evaluation compared with a related SCN pincer palladacycle","Organic Chemistry Frontiers","2016","3","8","957","","10.1039/C6QO00198J","","x-ray","0.71075","MoKα","","0.0249","0.0229","","","0.0556","0.0562","","","","","","1.187","","","","has coordinates","235032","2020-10-21","18:00:00",""
"1553471","12.2558","0.0003","9.9099","0.0003","17.4367","0.0005","90","","109.768","0.003","90","","1992.95","0.1","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C24 H19 Cl N O P Pd -","- C24 H19 Cl N O P Pd -","- C96 H76 Cl4 N4 O4 P4 Pd4 -","4","1","","Roffe, Gavin W.; Tizzard, Graham J.; Coles, Simon J.; Cox, Hazel; Spencer, John","Synthesis of unsymmetrical NCN′ and PCN pincer palladacycles and their catalytic evaluation compared with a related SCN pincer palladacycle","Organic Chemistry Frontiers","2016","3","8","957","","10.1039/C6QO00198J","","x-ray","0.71075","MoKα","","0.0321","0.0268","","","0.0649","0.0673","","","","","","1.038","","","","has coordinates","235032","2020-10-21","18:00:00",""
"1553472","9.0641","0.0002","9.6782","0.0003","12.7031","0.0004","91.535","0.003","108.207","0.003","112.231","0.003","966.47","0.06","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C23 H17 Cl N O P Pd -","- C23 H17 Cl N O P Pd -","- C46 H34 Cl2 N2 O2 P2 Pd2 -","2","1","","Roffe, Gavin W.; Tizzard, Graham J.; Coles, Simon J.; Cox, Hazel; Spencer, John","Synthesis of unsymmetrical NCN′ and PCN pincer palladacycles and their catalytic evaluation compared with a related SCN pincer palladacycle","Organic Chemistry Frontiers","2016","3","8","957","","10.1039/C6QO00198J","","x-ray","0.71075","MoKα","","0.0216","0.0201","","","0.0508","0.0514","","","","","","1.029","","","","has coordinates","235032","2020-10-21","18:00:00",""
"1553473","5.4373","0.0006","22.5643","0.0019","15.678","0.003","90","","91.295","0.01","90","","1923","0.5","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C25 H17 N O S -","- C25 H17 N O S -","- C100 H68 N4 O4 S4 -","4","1","","Singh, Radhey M.; Kumar, Ritush; Bharadwaj, Kishor Chandra; Gupta, Tanu","Pd catalyzed facile synthesis of cyclopenta[b]quinolin-1-one via sequential Sonogashira coupling and annulation. An unusual mode of ring closure, using sulphur as a soft nucleophile","Organic Chemistry Frontiers","2016","3","9","1100","","10.1039/C6QO00203J","","","0.71073","MoKα","","0.1745","0.0803","","","0.136","0.1715","","","","","","1.015","","","","has coordinates","235034","2020-10-21","18:00:00",""
"1553474","9.2253","0.0012","12.0172","0.0019","12.8207","0.0016","65.023","0.014","76.245","0.011","83.655","0.012","1251.4","0.3","143","","143","","","","","","","","","2","P -1","-P 1","2","","","","- C36 H26 -","- C36 H26 -","- C72 H52 -","2","1","","He, Bairong; Nie, Han; Luo, Wenwen; Hu, Rongrong; Qin, Anjun; Zhao, Zujin; Tang, Ben Zhong","Synthesis, structure and optical properties of tetraphenylethene derivatives with through-space conjugation between benzene and various planar chromophores","Organic Chemistry Frontiers","2016","3","9","1091","","10.1039/C6QO00204H","","x-ray","1.5418","CuKα","","0.0532","0.0389","","","0.0933","0.0973","","","","","","1.003","","","","has coordinates","235036","2020-10-21","18:00:00",""
"1553475","9.4248","0.0007","9.6366","0.0007","25.0543","0.0016","90","","94.474","0.002","90","","2268.6","0.3","173","2","173","2","","","","","","","","2","P 1 21/n 1","-P 2yn","14","","","","- C32 H24 -","- C32 H24 -","- C128 H96 -","4","1","","He, Bairong; Nie, Han; Luo, Wenwen; Hu, Rongrong; Qin, Anjun; Zhao, Zujin; Tang, Ben Zhong","Synthesis, structure and optical properties of tetraphenylethene derivatives with through-space conjugation between benzene and various planar chromophores","Organic Chemistry Frontiers","2016","3","9","1091","","10.1039/C6QO00204H","","","0.71073","MoKα","","0.0816","0.0469","","","0.0886","0.1","","","","","","1.043","","","","has coordinates","235036","2020-10-21","18:00:00",""
"1553476","16.4844","0.0014","9.1722","0.0012","19.225","0.003","90","","107.472","0.012","90","","2772.7","0.6","143","","143","","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","","","","- C40 H28 -","- C40 H28 -","- C160 H112 -","4","1","","He, Bairong; Nie, Han; Luo, Wenwen; Hu, Rongrong; Qin, Anjun; Zhao, Zujin; Tang, Ben Zhong","Synthesis, structure and optical properties of tetraphenylethene derivatives with through-space conjugation between benzene and various planar chromophores","Organic Chemistry Frontiers","2016","3","9","1091","","10.1039/C6QO00204H","","x-ray","1.5418","CuKα","","0.0563","0.0387","","","0.0832","0.0872","","","","","","1.006","","","","has coordinates","235036","2020-10-21","18:00:00",""
"1553477","11.3717","0.0002","15.9519","0.0003","15.1309","0.0003","90","","93.429","0.002","90","","2739.83","0.09","173","2","173","2","","","","","","","","2","P 1 21/n 1","-P 2yn","14","","","","- C40 H28 -","- C40 H28 -","- C160 H112 -","4","1","","He, Bairong; Nie, Han; Luo, Wenwen; Hu, Rongrong; Qin, Anjun; Zhao, Zujin; Tang, Ben Zhong","Synthesis, structure and optical properties of tetraphenylethene derivatives with through-space conjugation between benzene and various planar chromophores","Organic Chemistry Frontiers","2016","3","9","1091","","10.1039/C6QO00204H","","","1.54178","CuKα","","0.0443","0.036","","","0.0965","0.0995","","","","","","1.023","","","","has coordinates","235036","2020-10-21","18:00:00",""
"1553478","9.5798","0.0002","10.2198","0.0003","29.4004","0.0008","90","","96.324","0.002","90","","2860.89","0.13","173","","173","","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","","","","- C42 H28 -","- C42 H28 -","- C168 H112 -","4","1","","He, Bairong; Nie, Han; Luo, Wenwen; Hu, Rongrong; Qin, Anjun; Zhao, Zujin; Tang, Ben Zhong","Synthesis, structure and optical properties of tetraphenylethene derivatives with through-space conjugation between benzene and various planar chromophores","Organic Chemistry Frontiers","2016","3","9","1091","","10.1039/C6QO00204H","","x-ray","1.5418","CuKα","","0.0723","0.0474","","","0.1076","0.1135","","","","","","1.005","","","","has coordinates,has disorder","235036","2020-10-21","18:00:00",""
"1553479","12.766","0.003","16.24","0.003","13.427","0.003","90","","107.96","0.03","90","","2648","1.1","153","2","153","2","","","","","","","","5","P 1 21 1","P 2yb","4","","(5R,8S,9R,10R)-2-(4-Chlorophenyl)-8-(2-methoxyphenyl)-4-methyl-9-nitro-10-(3-nitrophenyl)-2,3-diazaspiro[4.5]dec-3-ene-1,6-dione","","- C28 H23 Cl N4 O7 -","- C28 H23 Cl N4 O7 -","- C112 H92 Cl4 N16 O28 -","4","2","","Li, Jun-Hua; Cui, Zhi-Hao; Du, Da-Ming","Diastereo- and enantioselective construction of cyclohexanone-fused spirospyrazolones containing four consecutive stereocenters through asymmetric sequential reactions","Organic Chemistry Frontiers","2016","3","9","1087","","10.1039/C6QO00208K","","","0.71073","MoKα","","0.0808","0.0718","","","0.1939","0.2157","","","","","","1.11","","","","has coordinates","235038","2020-10-21","18:00:00",""
"1553480","11.7876","0.0009","19.8876","0.0014","12.1607","0.0008","90","","94.193","0.007","90","","2843.2","0.4","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C17 H22 O2 -","- C17 H22 O2 -","- C136 H176 O16 -","8","2","","Ondet, Pierrick; Lempenauer, Luisa; Duñach, Elisabet; Lemière, Gilles","Bismuth(iii) triflate-catalysed tandem cyclisations towards complex polycyclic ethers","Organic Chemistry Frontiers","2016","3","8","999","","10.1039/C6QO00212A","","x-ray","0.71073","MoKα","","0.1574","0.0679","","","0.1576","0.2007","","","","","","1.02","","","","has coordinates,has disorder","279649","2022-11-30","18:17:27",""
"1553481","19.1606","0.0011","13.3348","0.0005","23.8068","0.0011","90","","108.315","0.005","90","","5774.6","0.5","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C17 H22 O2 -","- C17 H22 O2 -","- C272 H352 O32 -","16","4","","Ondet, Pierrick; Lempenauer, Luisa; Duñach, Elisabet; Lemière, Gilles","Bismuth(iii) triflate-catalysed tandem cyclisations towards complex polycyclic ethers","Organic Chemistry Frontiers","2016","3","8","999","","10.1039/C6QO00212A","","x-ray","1.54184","CuKα","","0.0707","0.0451","","","0.1126","0.131","","","","","","1.02","","","","has coordinates","275434","2022-05-16","05:31:57",""
"1553482","8.2306","0.0009","9.8924","0.0012","26.999","0.004","90","","98.152","0.013","90","","2176.1","0.5","293.78","0.1","293.78","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","(7aR,9aS,11R)-9a-methoxy-4-tosyl-3,4,5,6,9a,11-hexahydro-1H-7a,11-methanobenzofuro[3,3a-e]azonine-7,10(2H,8H)-dione","","- C23 H27 N O6 S -","- C23 H27 N O6 S -","- C92 H108 N4 O24 S4 -","4","1","","Duan, Shuangshuang; Long, Dan; Zhao, Changgui; Zhao, Gaoyuan; Yuan, Ziyun; Xie, Xingang; Fang, Jianguo; She, Xuegong","Efficient construction of the A/C/D tricyclic skeleton of palhinine A","Organic Chemistry Frontiers","2016","3","9","1137","","10.1039/C6QO00222F","","x-ray","0.71","MoKα","","0.2471","0.1529","","","0.3522","0.4085","","","","","","1.054","","","","has coordinates","235042","2020-10-21","18:00:00",""
"1553483","10.005","0.002","9.977","0.002","18.125","0.004","90","","92.34","0.03","90","","1807.7","0.7","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C23 H19 Br O -","- C23 H19 Br O -","- C92 H76 Br4 O4 -","4","1","","Liu, Yu; Zhao, Peng; Zhang, Bo; Xi, Chanjuan","MeOTf-catalyzed annulation of aldehydes and arylalkynes leading to 2,3-disubstituted indanones","Organic Chemistry Frontiers","2016","3","9","1116","","10.1039/C6QO00253F","","","0.71073","MoKα","","0.0762","0.0602","","","0.1883","0.2344","","","","","","1.042","","","","has coordinates","235044","2020-10-21","18:00:00",""
"1553484","9.756","0.004","10.716","0.005","10.881","0.004","65.921","0.018","68.07","0.016","63.361","0.019","902.7","0.7","296","2","296","2","","","","","","","","3","P -1","-P 1","2","","","","- C23 H20 S -","- C23 H20 S -","- C46 H40 S2 -","2","1","","Ramesh, E.; Shankar, Majji; Dana, Suman; Sahoo, Akhila K.","Silver-mediated oxidative annulation of N-arylthio succinimides with alkynes: direct access to benzo[b]thiophenes","Organic Chemistry Frontiers","2016","3","9","1126","","10.1039/C6QO00259E","","","0.71073","MoKα","","0.0664","0.0453","","","0.1129","0.1232","","","","","","1.076","","","","has coordinates","235046","2020-10-21","18:00:00",""
"1553485","6.0606","0.0006","13.4845","0.0014","18.39","0.002","90","","91.36","0.004","90","","1502.5","0.3","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H13 F S -","- C20 H13 F S -","- C80 H52 F4 S4 -","4","1","","Ramesh, E.; Shankar, Majji; Dana, Suman; Sahoo, Akhila K.","Silver-mediated oxidative annulation of N-arylthio succinimides with alkynes: direct access to benzo[b]thiophenes","Organic Chemistry Frontiers","2016","3","9","1126","","10.1039/C6QO00259E","","","0.71073","MoKα","","0.1383","0.0626","","","0.1128","0.1349","","","","","","1.012","","","","has coordinates","235046","2020-10-21","18:00:00",""
"1553486","31.8","0.014","8.994","0.004","13.605","0.006","90","","110.595","0.005","90","","3642","3","298","2","298","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C20 H17 F3 I N O -","- C20 H17 F3 I N O -","- C160 H136 F24 I8 N8 O8 -","8","1","","An, Yuanyuan; Kuang, Yunyan; Wu, Jie","Synthesis of trifluoromethylated 3,4-dihydroquinolin-2(1H)-ones via a photo-induced radical cyclization of benzene-tethered 1,7-enynes with Togni reagent","Organic Chemistry Frontiers","2016","3","8","994","","10.1039/C6QO00267F","","","0.71073","MoKα","","0.0489","0.0341","","","0.0798","0.0833","","","","","","0.936","","","","has coordinates","235048","2020-10-21","18:00:00",""
"1553487","8.4058","0.0003","10.8659","0.0004","21.9188","0.0009","90","","90","","90","","2001.99","0.13","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(S)-3o","","- C21 H19 Br N2 O4 -","- C21 H19 Br N2 O4 -","- C84 H76 Br4 N8 O16 -","4","1","","Ma, Qiao; Gong, Lei; Meggers, Eric","Enantioselective β-alkylation of pyrroles with the formation of an all-carbon quaternary stereocenter","Organic Chemistry Frontiers","2016","3","10","1319","","10.1039/C6QO00273K","","","0.71073","MoKα","","0.0545","0.0449","","","0.0864","0.0898","","","","","","0.999","","","","has coordinates","235049","2020-10-21","18:00:00",""
"1553488","20.5231","0.0017","9.5667","0.0008","20.3255","0.0018","90","","115.091","0.002","90","","3614.1","0.5","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H18 N6 O -","- C20 H18 N6 O -","- C160 H144 N48 O8 -","8","2","","Liu, Hou-Lu; Jiang, Yu; Hao, Jian; Tang, Xiang-Ying; Shi, Min","A new method to access triazole-fused spiro-guanidines from the reaction of isothiocyanates tethered N-sulfonyl-1,2,3-triazoles and amines","Organic Chemistry Frontiers","2016","3","11","1447","","10.1039/C6QO00304D","","","0.71073","MoKα","","0.124","0.0799","","","0.1656","0.1857","","","","","","1.088","","","","has coordinates","235050","2020-10-21","18:00:00",""
"1553489","7.504","0.011","8.467","0.012","13.179","0.018","95.607","0.018","102.6","0.02","110.95","0.02","748.8","1.8","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H11 I N2 O -","- C18 H11 I N2 O -","- C36 H22 I2 N4 O2 -","2","1","","Wu, Yan-Dong; Geng, Xiao; Gao, Qinghe; Zhang, Jingjing; Wu, Xia; Wu, An-Xin","Iodine-promoted sequential dual oxidative Csp3‒H amination/Csp3‒H iodination reactions: efficient synthesis of 1-iodoimidazo[1,5-a]pyridines","Organic Chemistry Frontiers","2016","3","11","1430","","10.1039/C6QO00313C","","","0.71073","MoKα","","0.0428","0.0332","","","0.0994","0.1136","","","","","","1.141","","","","has coordinates","235052","2020-10-21","18:00:00",""
"1553490","20.2007","0.0006","25.2676","0.0007","31.3498","0.0008","90","","90","","90","","16001.7","0.8","113","","113","","","","","","","","","5","P c c n","-P 2ab 2ac","56","2PdNAmX-2","","","- C60 H44 N4 O4 Pd2 -","- C60 H44 N4 O4 Pd2 -","- C720 H528 N48 O48 Pd24 -","12","1.5","","Naito, Masaya; Komiya, Naruyoshi; Naota, Takeshi","Homochiral association of binuclear trans-bis(β-iminoaryloxy)palladium(ii) complexes doubly linked with m-xylylene spacers: drastic linker-dependence of the association chirality of chiral clothespin-shaped molecules","Organic Chemistry Frontiers","2016","3","10","1286","","10.1039/C6QO00315J","","","0.71075","MoKα","","","0.0687","","","","0.1993","","","","","","1.037","","","","has coordinates","235053","2020-10-21","18:00:00",""
"1553491","27.6181","0.0017","13.0551","0.0009","30.802","0.002","90","","113.65","0.0017","90","","10173.2","1.2","113","","113","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","2PdNAmX-1","","","- C61 H45 Cl3 N4 O4 Pd2 -","- C61 H45 Cl3 N4 O4 Pd2 -","- C488 H360 Cl24 N32 O32 Pd16 -","8","1","","Naito, Masaya; Komiya, Naruyoshi; Naota, Takeshi","Homochiral association of binuclear trans-bis(β-iminoaryloxy)palladium(ii) complexes doubly linked with m-xylylene spacers: drastic linker-dependence of the association chirality of chiral clothespin-shaped molecules","Organic Chemistry Frontiers","2016","3","10","1286","","10.1039/C6QO00315J","","","0.71075","MoKα","","","0.0732","","","","0.1673","","","","","","1.053","","","","has coordinates","235053","2020-10-21","18:00:00",""
"1553492","11.5223","0.0012","14.9948","0.0015","16.4141","0.0017","90","","90","","90","","2835.9","0.5","110","2","110","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C29 H44 O6 Si -","- C29 H44 O6 Si -","- C116 H176 O24 Si4 -","4","1","","Pérez-Estrada, S.; Sayar, N.; Granja, J. R.","Towards taxane analogues synthesis by dienyne ring closing metathesis","Organic Chemistry Frontiers","2016","3","10","1331","","10.1039/C6QO00321D","","x-ray","0.71073","MoKα","","0.06","0.0423","","","0.0857","0.0937","","","","","","1.019","","","","has coordinates","235056","2020-10-21","18:00:00",""
"1553493","27.836","0.004","7.8125","0.001","14.1759","0.0019","90","","92.711","0.002","90","","3079.4","0.7","110","2","110","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C29 H40 O5 Si -","- C29 H40 O5 Si -","- C116 H160 O20 Si4 -","4","1","","Pérez-Estrada, S.; Sayar, N.; Granja, J. R.","Towards taxane analogues synthesis by dienyne ring closing metathesis","Organic Chemistry Frontiers","2016","3","10","1331","","10.1039/C6QO00321D","","x-ray","0.71073","MoKα","","0.0526","0.0394","","","0.0845","0.0894","","","","","","1.025","","","","has coordinates,has disorder","235056","2020-10-21","18:00:00",""
"1553494","13.6594","0.0014","5.9624","0.0005","17.4715","0.0018","90","","106.688","0.012","90","","1363","0.2","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C17 H14 O2 -","- C17 H14 O2 -","- C68 H56 O8 -","4","1","","Cui, Fei-Hu; Su, Shi-Xia; Xu, Yan-li; Liang, Ying; Wang, Heng-shan; Pan, Ying-Ming","Capture of CO2 in air for 4,5-disubstituted furan-2(5H)-ones","Organic Chemistry Frontiers","2016","3","10","1304","","10.1039/C6QO00328A","","x-ray","0.71073","MoKα","","0.1445","0.0656","","","0.1364","0.1923","","","","","","1.051","","","","has coordinates","235058","2020-10-21","18:00:00",""
"1553495","14.2296","0.0004","6.2823","0.0002","33.8457","0.001","90","","90.358","0.001","90","","3025.56","0.16","123","2","123","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C38 H24 Cl2 N2 O6 -","- C38 H24 Cl2 N2 O6 -","- C152 H96 Cl8 N8 O24 -","4","1","","Wirtanen, T.; Muuronen, M.; Hurmalainen, J.; Tuononen, H. M.; Nieger, M.; Helaja, J.","Intermolecular oxidative dehydrogenative 3,3′-coupling of benzo[b]furans and benzo[b]thiophenes promoted by DDQ/H+: total synthesis of shandougenine B","Organic Chemistry Frontiers","2016","3","12","1738","","10.1039/C6QO00331A","","","1.54178","CuKα","","0.0608","0.0554","","","0.1524","0.1571","","","","","","1.086","","","","has coordinates","235060","2020-10-21","18:00:00",""
"1553496","13.909","0.004","20.264","0.002","22.762","0.002","90","","91.41","0.03","90","","6414","2","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C62 H61 N7 O20 S4 -","- C62 H61 N7 O20 S4 -","- C248 H244 N28 O80 S16 -","4","1","","Gaeta, Carmine; Della Sala, Paolo; Talotta, Carmen; De Rosa, Margherita; Soriente, Annunziata; Brancatelli, Giovanna; Geremia, Silvano; Neri, Placido","A tetrasulfate-resorcin[6]arene cavitand as the host for organic ammonium guests","Organic Chemistry Frontiers","2016","3","10","1276","","10.1039/C6QO00336B","","","0.7","","","0.1064","0.1029","","","0.2779","0.2805","","","","","","1.053","","","","has coordinates,has disorder","235062","2020-10-21","18:00:00",""
"1553498","7.51038","0.0001","17.3551","0.0002","23.2172","0.0004","90","","90","","90","","3026.21","0.07","100","0.2","100","0.2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","Triple 3c","","- C14 H17 N5 O4 -","- C14 H17 N5 O4 -","- C112 H136 N40 O32 -","8","2","","Naik, Siddhi D.; Chandra, Girish; Sahu, Pramod K.; Kim, Hong-Rae; Qu, Shuhao; Yoon, Ji-seong; Jeong, Lak Shin","Stereo- and regio-selective synthesis of 3′-C-substituted-(N)-methanocarba adenosines as potential anticancer agents","Organic Chemistry Frontiers","2016","3","11","1472","","10.1039/C6QO00358C","","x-ray","1.54184","CuKα","","0.028","0.0264","","","0.067","0.068","","","","","","1.027","","","","has coordinates","235066","2020-10-21","18:00:00",""
"1553499","12.057","0.004","8.771","0.002","14.736","0.005","90","","113.287","0.005","90","","1431.4","0.8","93","","93","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","4-(2-Oxo-3-(trifluoromethyl)-1-oxaspiro[4.4]non-3-en-4-yl)benzonitrile","","- C16 H12 F3 N O2 -","- C16 H12 F3 N O2 -","- C64 H48 F12 N4 O8 -","4","1","","Mizuta, Satoshi; Otaki, Hiroki; Kitamura, Kanami; Nishi, Kodai; Watanabe, Ken; Makau, Juliann Nzembi; Hashimoto, Ryo; Usui, Toshiya; Chiba, Kenya","3,3-Dibromo-2-trifluoromethyl acrylic acid ethyl ester: a versatile platform for the stereoselective preparation of functionalized-α-trifluoromethyl α,β-unsaturated lactones and trifluoromethyl pyrazolinones","Organic Chemistry Frontiers","2016","3","12","1661","","10.1039/C6QO00360E","","","0.71075","MoKα","","0.0921","0.0578","","","0.0995","0.1121","","","","","","1.068","","","","has coordinates","235068","2020-10-21","18:00:00",""
"1553500","8.165","0.002","9.432","0.002","10.126","0.003","85.485","0.007","83.241","0.008","73.145","0.007","740.3","0.3","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C17 H10 Cl F3 N2 O -","- C17 H10 Cl F3 N2 O -","- C34 H20 Cl2 F6 N4 O2 -","2","1","","Jin, Li-Kun; Lu, Guo-Ping; Cai, Chun","Copper-catalyzed 8-amido chelation-induced regioselective C‒H fluoroalkylation of quinolines","Organic Chemistry Frontiers","2016","3","10","1309","","10.1039/C6QO00369A","","","0.71073","MoKα","","0.0787","0.063","","","0.1666","0.1787","","","","","","1.057","","","","has coordinates","235071","2020-10-21","18:00:00",""
"1553501","4.8217","0.0003","10.1093","0.0006","31.14","0.002","90","","90","","90","","1517.89","0.16","193","","","","","","","","","","see text","3","P 21 21 21","P 2ac 2ab","19","","","","- C24 H15 N -","- C24 H15 N -","- C96 H60 N4 -","4","1","","Zagranyarski, Yulian; Skabeev, Artem; Ma, Yingjie; Müllen, Klaus; Li, Chen","Facile synthesis of annulated heterocyclic benzo[kl]acridine derivatives via one-pot N‒H/C‒H coupling","Organic Chemistry Frontiers","2016","3","11","1520","","10.1039/C6QO00371K","","x-ray","0.71073","MoKα","","","","","","","","","","","","","","","","","has coordinates","235073","2020-10-21","18:00:00",""
"1553502","16.3471","0.0009","11.2916","0.0008","8.0242","0.0004","90","","90","","90","","1481.15","0.15","193","","","","","","","","","","see text","4","P c a 21","P 2c -2ac","29","","","","- C22 H13 N S -","- C22 H13 N S -","- C88 H52 N4 S4 -","4","1","","Zagranyarski, Yulian; Skabeev, Artem; Ma, Yingjie; Müllen, Klaus; Li, Chen","Facile synthesis of annulated heterocyclic benzo[kl]acridine derivatives via one-pot N‒H/C‒H coupling","Organic Chemistry Frontiers","2016","3","11","1520","","10.1039/C6QO00371K","","x-ray","0.71073","MoKα","","","","","","","","","","","","","","","","","has coordinates","235073","2020-10-21","18:00:00",""
"1553503","6.202","0.0005","10.169","0.001","14.7158","0.0018","75.057","0.01","85.343","0.008","84.132","0.007","890.56","0.16","283","10","283","10","","","","","","","","3","P -1","-P 1","2","","","","- C23 H24 N2 -","- C23 H24 N2 -","- C46 H48 N4 -","2","1","","Liu, Cheng-Guo; Gu, Zheng-Yang; Bai, Hui-Wen; Wang, Shun-Yi; Ji, Shun-Jun","An isocyanide insertion approach to substituted pyrrolo[2,3-b]quinolines under metal-free and azide-free conditions","Organic Chemistry Frontiers","2016","3","10","1299","","10.1039/C6QO00373G","","","0.7107","MoKα","","0.0777","0.0529","","","0.1261","0.1477","","","","","","1.012","","","","has coordinates,has disorder","235075","2020-10-21","18:00:00",""
"1553504","8.9115","0.0007","11.1099","0.0007","11.8272","0.0009","83.858","0.006","86.228","0.006","67.922","0.006","1078.45","0.14","291","2","291.15","","","","","","","","","5","P -1","-P 1","2","","","","- C22 H25 N2 O4 P -","- C22 H25 N2 O4 P -","- C44 H50 N4 O8 P2 -","2","1","","Sun, Mengmeng; Sun, Suyan; Qiao, Huijie; Yang, Fan; Zhu, Yu; Kang, Jianxun; Wu, Yusheng; Wu, Yangjie","Silver(i)-promoted C5‒H phosphonation of 8-aminoquinoline amides with H-phosphonates","Organic Chemistry Frontiers","2016","3","12","1646","","10.1039/C6QO00379F","","x-ray","0.71073","MoKα","","0.1204","0.0776","","","0.2075","0.2482","","","","","","1.054","","","","has coordinates,has disorder","235076","2020-10-21","18:00:00",""
"1553505","15.3031","0.0006","18.1046","0.0006","15.6855","0.0006","90","","90","","90","","4345.8","0.3","293","2","293","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C22 H25 N2 O4 P -","- C22 H25 N2 O4 P -","- C176 H200 N16 O32 P8 -","8","1","","Sun, Mengmeng; Sun, Suyan; Qiao, Huijie; Yang, Fan; Zhu, Yu; Kang, Jianxun; Wu, Yusheng; Wu, Yangjie","Silver(i)-promoted C5‒H phosphonation of 8-aminoquinoline amides with H-phosphonates","Organic Chemistry Frontiers","2016","3","12","1646","","10.1039/C6QO00379F","","x-ray","0.71073","MoKα","","0.1048","0.0608","","","0.1597","0.1898","","","","","","1.022","","","","has coordinates,has disorder","235076","2020-10-21","18:00:00",""
"1553506","8.681","0.007","17.323","0.014","32.77","0.03","90","","90","","90","","4928","7","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C31 H27 N2 O2 -","- C31 H27 N2 O2 -","- C248 H216 N16 O16 -","8","2","","Chen, Zhen; Huo, Yuwen; An, Ping; Wang, Xichao; Song, Chun; Ma, Yudao","[2.2]Paracyclophane-based N-heterocyclic carbene as efficient catalyst or as ligand for copper catalyst for asymmetric α-silylation of N-tosylaldimines","Organic Chemistry Frontiers","2016","3","12","1725","","10.1039/C6QO00386A","","","0.71073","MoKα","","0.1149","0.0538","","","0.1064","0.1312","","","","","","0.974","","","","has coordinates","275434","2022-05-16","05:31:57",""
"1553507","17.643","0.001","16.144","0.001","6.601","0.001","90","","90","","90","","1880.2","0.3","100","2","100","2","","","","","","","","4","P 21 21 2","P 2 2ab","18","","((3'S,3a'R,4'R,5'R)-4',5'-di-tert-butoxytetrahydro-3'H-spiro[cyclopropane-1,2'-pyrrolo[1,2-b]isoxazol]-3'-yl)methanol","","- C17 H31 N O4 -","- C17 H31 N O4 -","- C68 H124 N4 O16 -","4","1","","Cordero, F. M.; Vurchio, C.; Faggi, C.; Brandi, A.","Configuration-guided reactions: the case of highly decorated spiro[cyclopropane-1,2′(3′H)-pyrrolo[1,2-b]isoxazole] derivatives en route to polyhydroxyindolizidines","Organic Chemistry Frontiers","2016","3","12","1651","","10.1039/C6QO00410E","","","1.54178","CuKα","","0.0652","0.0456","","","0.0939","0.1068","","","","","","1.036","","","","has coordinates","235079","2020-10-21","18:00:00",""
"1553508","6.03","0.001","16.334","0.001","18.224","0.001","90","","90","","90","","1795","0.3","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","((3'R,3a'R,4'R,5'R)-4',5'-di-tert-butoxytetrahydro-3'H-spiro [cyclopropane-1,2'-pyrrolo[1,2-b]isoxazol]-3'-yl)methanol","","- C17 H31 N O4 -","- C17 H31 N O4 -","- C68 H124 N4 O16 -","4","1","","Cordero, F. M.; Vurchio, C.; Faggi, C.; Brandi, A.","Configuration-guided reactions: the case of highly decorated spiro[cyclopropane-1,2′(3′H)-pyrrolo[1,2-b]isoxazole] derivatives en route to polyhydroxyindolizidines","Organic Chemistry Frontiers","2016","3","12","1651","","10.1039/C6QO00410E","","","1.54178","CuKα","","0.041","0.0333","","","0.0786","0.0921","","","","","","1.1","","","","has coordinates","235079","2020-10-21","18:00:00",""
"1553509","10.178","0.001","21.78","0.001","11.615","0.001","90","","90.547","0.001","90","","2574.7","0.4","150","2","150","2","","","","","","","","4","P 1 21 1","P 2yb","4","","(3aS,6R,7S,7aR)-7-(tert-butoxy)tetrahydro-3aH-spiro [1,6-methanopyrano[4,3-c]isoxazole-3,1'-cyclopropane]","","- C13 H21 N O3 -","- C13 H21 N O3 -","- C104 H168 N8 O24 -","8","4","","Cordero, F. M.; Vurchio, C.; Faggi, C.; Brandi, A.","Configuration-guided reactions: the case of highly decorated spiro[cyclopropane-1,2′(3′H)-pyrrolo[1,2-b]isoxazole] derivatives en route to polyhydroxyindolizidines","Organic Chemistry Frontiers","2016","3","12","1651","","10.1039/C6QO00410E","","","1.54178","CuKα","","0.0535","0.045","","","0.1106","0.117","","","","","","1.064","","","","has coordinates","275856","2022-06-07","07:08:27",""
"1553510","6.078","0.0002","10.204","0.0003","19.957","0.0006","90","","90","","90","","1237.73","0.07","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(4aS,7R,8S,8aR)-8-(tert-butoxy)hexahydro-1,7-methanopyrano [4,3-b]pyridin-4(7H)-one","","- C13 H21 N O3 -","- C13 H21 N O3 -","- C52 H84 N4 O12 -","4","1","","Cordero, F. M.; Vurchio, C.; Faggi, C.; Brandi, A.","Configuration-guided reactions: the case of highly decorated spiro[cyclopropane-1,2′(3′H)-pyrrolo[1,2-b]isoxazole] derivatives en route to polyhydroxyindolizidines","Organic Chemistry Frontiers","2016","3","12","1651","","10.1039/C6QO00410E","","","1.54178","CuKα","","0.0518","0.0401","","","0.09","0.0961","","","","","","1.07","","","","has coordinates","235079","2020-10-21","18:00:00",""
"1553511","7.252","0.001","25.57","0.001","14.465","0.001","90","","100.17","0.002","90","","2640.2","0.4","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","(3R,4S,4aR,8aS,11R,12S,12aR,16aS)-4,12-di-tert-butoxydodecahydro-3,5:11,13- dimethanodipyrano[4,3-b:4',3'-h][1,7]diazacyclododecine-8,16(3H,11H)-dione","","- C26 H42 N2 O6 -","- C26 H42 N2 O6 -","- C104 H168 N8 O24 -","4","2","","Cordero, F. M.; Vurchio, C.; Faggi, C.; Brandi, A.","Configuration-guided reactions: the case of highly decorated spiro[cyclopropane-1,2′(3′H)-pyrrolo[1,2-b]isoxazole] derivatives en route to polyhydroxyindolizidines","Organic Chemistry Frontiers","2016","3","12","1651","","10.1039/C6QO00410E","","","1.54178","CuKα","","0.0632","0.0492","","","0.1151","0.125","","","","","","1.025","","","","has coordinates","275856","2022-06-07","07:08:27",""
"1553512","9.1392","0.0002","13.2716","0.0003","13.7699","0.0003","77.608","0.001","76.026","0.001","84.909","0.001","1581.79","0.06","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","","","- C41 H31 Cl2 N O2 -","- C40.999 H30.998 Cl1.998 N O2 -","- C81.998 H61.996 Cl3.996 N2 O4 -","2","1","","Seifert, Sabine; Schmidt, David; Würthner, Frank","A cross-coupling-annulation cascade from peri-dibromonaphthalimide to pseudo-rylene bisimides","Organic Chemistry Frontiers","2016","3","11","1435","","10.1039/C6QO00421K","","","1.54178","CuKα","","0.0802","0.0737","","","0.2179","0.2253","","","","","","1.035","","","","has coordinates,has disorder","235081","2020-10-21","18:00:00",""
"1553513","13.3641","0.0012","15.796","0.0014","14.8901","0.0013","90","","112.839","0.002","90","","2896.9","0.4","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C79 H66 Cl2 N2 O4 -","- C79 H66 Cl2 N2 O4 -","- C158 H132 Cl4 N4 O8 -","2","0.5","","Seifert, Sabine; Schmidt, David; Würthner, Frank","A cross-coupling-annulation cascade from peri-dibromonaphthalimide to pseudo-rylene bisimides","Organic Chemistry Frontiers","2016","3","11","1435","","10.1039/C6QO00421K","","","0.71073","MoKα","","0.0651","0.0494","","","0.1334","0.1459","","","","","","1.035","","","","has coordinates,has disorder","235081","2020-10-21","18:00:00",""
"1553514","9.2961","0.0002","10.1519","0.0002","20.823","0.0005","90","","102.267","0.001","90","","1920.26","0.07","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C24 H20 O2 S -","- C24 H20 O2 S -","- C96 H80 O8 S4 -","4","1","","Fu, Rong; Hao, Wen-Juan; Wu, Ya-Nan; Wang, Nan-Nan; Tu, Shu-Jiang; Li, Guigen; Jiang, Bo","Sulfonyl radical-enabled 6-endo-trig cyclization for regiospecific synthesis of unsymmetrical diaryl sulfones","Organic Chemistry Frontiers","2016","3","11","1452","","10.1039/C6QO00422A","","","0.71073","MoKα","","0.0569","0.0445","","","0.1197","0.1306","","","","","","1.028","","","","has coordinates","235083","2020-10-21","18:00:00",""
"1553515","7.0521","0.0006","28.03","0.002","10.4649","0.0008","90","","100.069","0.001","90","","2036.7","0.3","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C27 H20 O2 S -","- C27 H20 O2 S -","- C108 H80 O8 S4 -","4","1","","Fu, Rong; Hao, Wen-Juan; Wu, Ya-Nan; Wang, Nan-Nan; Tu, Shu-Jiang; Li, Guigen; Jiang, Bo","Sulfonyl radical-enabled 6-endo-trig cyclization for regiospecific synthesis of unsymmetrical diaryl sulfones","Organic Chemistry Frontiers","2016","3","11","1452","","10.1039/C6QO00422A","","","0.71073","MoKα","","0.1316","0.0684","","","0.1143","0.1437","","","","","","0.999","","","","has coordinates","235083","2020-10-21","18:00:00",""
"1553516","15.4186","0.0013","11.3388","0.0008","16.9081","0.0014","90","","107.55","0.009","90","","2818.4","0.4","180.01","0.1","180.01","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C33 H35 N O4 S -","- C33 H35 N O4 S -","- C132 H140 N4 O16 S4 -","4","1","","Lv, Leiyang; Bai, Xiaohui; Yan, Xiaoyu; Li, Zhiping","Iron-catalyzed decarbonylation initiated [2 + 2 + m] annulation of benzene-linked 1,n-enynes with aliphatic aldehydes","Organic Chemistry Frontiers","2016","3","11","1509","","10.1039/C6QO00429F","","","0.71073","MoKα","","0.1051","0.0534","","","0.1076","0.1358","","","","","","1.046","","","","has coordinates","235085","2020-10-21","18:00:00",""
"1553517","8.3151","0.0007","8.625","0.0007","18.7838","0.0016","99.74","0.001","96.686","0.001","104.017","0.001","1270.61","0.18","294","2","294","2","","","","","","","","5","P -1","-P 1","2","","","","- C29 H26 N2 O5 S -","- C29 H26 N2 O5 S -","- C58 H52 N4 O10 S2 -","2","1","","Sharma, Pankaj; Kumar, Niggula Praveen; Krishna, Namballa Hari; Prasanna, Daasi; Sridhar, Balasubramanian; Shankaraiah, Nagula","Silver(i)-catalysed domino alkyne-annulation/Diels‒Alder reaction: a mild synthetic approach to tetrahydrospiro[carbazole-4,3′-indoline] scaffolds","Organic Chemistry Frontiers","2016","3","11","1503","","10.1039/C6QO00430J","","","0.71073","MoKα","","0.061","0.0494","","","0.1373","0.1503","","","","","","1.016","","","","has coordinates","235087","2020-10-21","18:00:00",""
"1553518","8.849","0.005","10.773","0.006","17.758","0.009","90","","91.599","0.007","90","","1692.2","1.6","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C14 H17 F3 N2 O3 S -","- C14 H17 F3 N2 O3 S -","- C56 H68 F12 N8 O12 S4 -","4","1","","Li, Yuewen; Xiang, Yuanchao; Li, Zhiming; Wu, Jie","Direct vicinal difunctionalization of alkynes through trifluoromethylation and aminosulfonylation via insertion of sulfur dioxide under catalyst-free conditions","Organic Chemistry Frontiers","2016","3","11","1493","","10.1039/C6QO00434B","","","0.71073","MoKα","","0.0939","0.068","","","0.1757","0.1857","","","","","","0.963","","","","has coordinates","235089","2020-10-21","18:00:00",""
"1553528","12.7034","0.0011","11.6077","0.001","28.683","0.005","90","","90","","90","","4229.5","0.9","102.1","","102.1","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C22 H32 O2 Si -","- C22 H32 O2 Si -","- C176 H256 O16 Si8 -","8","1","","Liu, Zhen; Xia, Ying; Feng, Sheng; Zhang, Yan; Wang, Jianbo","Rh(i)-Catalyzed coupling of 2-bromoethyl aryldiazoacetates with tertiary propargyl alcohols through carbene migratory insertion","Organic Chemistry Frontiers","2016","3","12","1691","","10.1039/C6QO00453A","","","0.71073","MoKα","","0.1939","0.1532","","","0.3787","0.4104","","","","","","1.06","","","","has coordinates,has disorder","235099","2020-10-21","18:00:00",""
"1553529","9.3034","0.0001","9.6541","0.0002","11.6687","0.0008","101.875","0.007","106.962","0.008","96.397","0.007","964.39","0.09","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C24 H19 N O3 -","- C24 H19 N O3 -","- C48 H38 N2 O6 -","2","1","","Duan, Jindian; Cheng, Yuyu; Li, Rou; Li, Pengfei","Synthesis of spiro[indane-1,3-dione-1-pyrrolines] via copper-catalyzed heteroannulation of ketoxime acetates with 2-arylideneindane-1,3-diones","Organic Chemistry Frontiers","2016","3","12","1614","","10.1039/C6QO00454G","","","1.54187","CuKα","","0.0565","0.0529","","","0.1351","0.1403","","","","","","1.094","","","","has coordinates","235100","2020-10-21","18:00:00",""
"1553532","11.1348","0.0009","10.8734","0.001","24.741","0.002","90","","90","","90","","2995.5","0.4","293.26","0.1","293.26","0.1","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C18 H16 O S -","- C18 H16 O S -","- C144 H128 O8 S8 -","8","1","","An, Zhenyu; She, Yue; Yang, Xiaodong; Pang, Xiaobo; Yan, Rulong","Metal-free synthesis of 3-methylthiofurans from homopropargylic alcohols and DMSO via a tandem sulfenylation/cyclization reaction in a one-pot manner","Organic Chemistry Frontiers","2016","3","12","1746","","10.1039/C6QO00462H","","x-ray","0.71073","MoKα","","0.2039","0.0674","","","0.1267","0.1889","","","","","","0.926","","","","has coordinates","235104","2020-10-21","18:00:00",""
"1553533","9.2943","0.0019","18.714","0.004","20.557","0.004","90","","95.79","0.03","90","","3557.3","1.3","173.15","","173.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H21 N O -","- C24 H21 N O -","- C192 H168 N8 O8 -","8","2","","Mahmood, Qaiser; Yue, Erlin; Zhang, Wenjuan; Solan, Gregory A.; Liang, Tongling; Sun, Wen-Hua","Bisimino-functionalized dibenzo[a,c]acridines as highly conjugated pincer frameworks for palladium(ii): synthesis, characterization and catalytic performance in Heck coupling","Organic Chemistry Frontiers","2016","3","12","1668","","10.1039/C6QO00469E","","","0.71073","MoKα","","0.0781","0.07","","","0.1381","0.1456","","","","","","1.038","","","","has coordinates","235107","2020-10-21","18:00:00",""
"1553534","11.335","0.002","7.4991","0.0015","37.869","0.008","90","","90","","90","","3219","1.1","173.15","","173.15","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C24 H19 N -","- C24 H19 N -","- C192 H152 N8 -","8","1","","Mahmood, Qaiser; Yue, Erlin; Zhang, Wenjuan; Solan, Gregory A.; Liang, Tongling; Sun, Wen-Hua","Bisimino-functionalized dibenzo[a,c]acridines as highly conjugated pincer frameworks for palladium(ii): synthesis, characterization and catalytic performance in Heck coupling","Organic Chemistry Frontiers","2016","3","12","1668","","10.1039/C6QO00469E","","","0.71073","MoKα","","0.0799","0.0693","","","0.1375","0.1441","","","","","","1.172","","","","has coordinates","235107","2020-10-21","18:00:00",""
"1553535","10.641","0.002","10.978","0.002","17.744","0.003","100.04","0.03","106.43","0.03","93.41","0.03","1944.7","0.7","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C42 H34 Cl7 N3 Pd -","- C42 H34 Cl7 N3 Pd -","- C84 H68 Cl14 N6 Pd2 -","2","1","","Mahmood, Qaiser; Yue, Erlin; Zhang, Wenjuan; Solan, Gregory A.; Liang, Tongling; Sun, Wen-Hua","Bisimino-functionalized dibenzo[a,c]acridines as highly conjugated pincer frameworks for palladium(ii): synthesis, characterization and catalytic performance in Heck coupling","Organic Chemistry Frontiers","2016","3","12","1668","","10.1039/C6QO00469E","","","0.71073","MoKα","","0.0811","0.0765","","","0.2212","0.2352","","","","","","1.024","","","","has coordinates","235107","2020-10-21","18:00:00",""
"1553536","36.49","0.005","36.49","0.005","21.305","0.004","90","","90","","120","","24567","7","173.15","","173.15","","","","","","","","","5","R -3 :H","-R 3","148","","","","- C44 H40 Cl N3 Pd -","- C44 H40 Cl N3 Pd -","- C792 H720 Cl18 N54 Pd18 -","18","1","","Mahmood, Qaiser; Yue, Erlin; Zhang, Wenjuan; Solan, Gregory A.; Liang, Tongling; Sun, Wen-Hua","Bisimino-functionalized dibenzo[a,c]acridines as highly conjugated pincer frameworks for palladium(ii): synthesis, characterization and catalytic performance in Heck coupling","Organic Chemistry Frontiers","2016","3","12","1668","","10.1039/C6QO00469E","","","0.71073","MoKα","","0.0755","0.0652","","","0.2056","0.2162","","","","","","1.072","","","","has coordinates,has disorder","235107","2020-10-21","18:00:00",""
"1553537","11.611","0.002","19.188","0.004","13.466","0.003","90","","113.15","0.03","90","","2758.5","1.1","173.15","","173.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C33 H25 Cl3 N2 O Pd -","- C33 H25 Cl3 N2 O Pd -","- C132 H100 Cl12 N8 O4 Pd4 -","4","1","","Mahmood, Qaiser; Yue, Erlin; Zhang, Wenjuan; Solan, Gregory A.; Liang, Tongling; Sun, Wen-Hua","Bisimino-functionalized dibenzo[a,c]acridines as highly conjugated pincer frameworks for palladium(ii): synthesis, characterization and catalytic performance in Heck coupling","Organic Chemistry Frontiers","2016","3","12","1668","","10.1039/C6QO00469E","","","0.71073","MoKα","","0.0392","0.0369","","","0.0834","0.085","","","","","","1.107","","","","has coordinates","235107","2020-10-21","18:00:00",""
"1553538","14.187","0.003","12.38","0.003","14.674","0.003","90","","92.59","0.03","90","","2574.6","1","173.15","","173.15","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C34 H27 Cl N2 O Pd -","- C34 H27 Cl N2 O Pd -","- C136 H108 Cl4 N8 O4 Pd4 -","4","1","","Mahmood, Qaiser; Yue, Erlin; Zhang, Wenjuan; Solan, Gregory A.; Liang, Tongling; Sun, Wen-Hua","Bisimino-functionalized dibenzo[a,c]acridines as highly conjugated pincer frameworks for palladium(ii): synthesis, characterization and catalytic performance in Heck coupling","Organic Chemistry Frontiers","2016","3","12","1668","","10.1039/C6QO00469E","","","0.71073","MoKα","","0.0286","0.0281","","","0.0705","0.0708","","","","","","1.085","","","","has coordinates","235107","2020-10-21","18:00:00",""
"1553539","11.91","0.002","32.793","0.007","9.4655","0.0019","90","","113.37","0.03","90","","3393.6","1.4","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C40 H33 N3 O0 -","- C40 H33 N3 -","- C160 H132 N12 -","4","1","","Mahmood, Qaiser; Yue, Erlin; Zhang, Wenjuan; Solan, Gregory A.; Liang, Tongling; Sun, Wen-Hua","Bisimino-functionalized dibenzo[a,c]acridines as highly conjugated pincer frameworks for palladium(ii): synthesis, characterization and catalytic performance in Heck coupling","Organic Chemistry Frontiers","2016","3","12","1668","","10.1039/C6QO00469E","","","0.71073","MoKα","","0.0814","0.0633","","","0.1406","0.151","","","","","","1.047","","","","has coordinates","235107","2020-10-21","18:00:00",""
"1553540","12.0255","0.0007","18.091","0.0012","10.1121","0.0007","90","","105.935","0.002","90","","2115.4","0.2","100","1","100","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C50 H50 N2 O6 S2 -","- C50 H50 N2 O6 S2 -","- C100 H100 N4 O12 S4 -","2","0.5","","Michelet, Bastien; Tang, Shun; Thiery, Guillaume; Monot, Julien; Li, Huijing; Guillot, Régis; Bour, Christophe; Gandon, Vincent","Catalytic applications of [IPr·GaX2][SbF6] and related species","Organic Chemistry Frontiers","2016","3","12","1603","","10.1039/C6QO00470A","","x-ray","0.71073","MoKα","","0.0786","0.0468","","","0.1069","0.1223","","","","","","1.023","","","","has coordinates","235110","2020-10-21","18:00:00",""
"1553541","7.6825","0.0003","17.5861","0.0008","22.9639","0.0011","90","","90","","90","","3102.5","0.2","100","1","100","1","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C18 H22 O4 -","- C18 H22 O4 -","- C144 H176 O32 -","8","1","","Michelet, Bastien; Tang, Shun; Thiery, Guillaume; Monot, Julien; Li, Huijing; Guillot, Régis; Bour, Christophe; Gandon, Vincent","Catalytic applications of [IPr·GaX2][SbF6] and related species","Organic Chemistry Frontiers","2016","3","12","1603","","10.1039/C6QO00470A","","x-ray","0.71073","MoKα","","0.0669","0.0581","","","0.1538","0.1604","","","","","","1.041","","","","has coordinates","235110","2020-10-21","18:00:00",""
"1553542","6.0149","0.0004","13.4117","0.0009","18.2153","0.0012","90","","91.601","0.002","90","","1468.86","0.17","138","2","138","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H13 F S -","- C20 H13 F S -","- C80 H52 F4 S4 -","4","1","","Wang, Xiaoming; Gensch, Tobias; Glorius, Frank","Highly selective synthesis of 6-substituted benzothiophenes by Sc(OTf)3-catalyzed intermolecular cyclization and sulfur migration","Organic Chemistry Frontiers","2016","3","12","1619","","10.1039/C6QO00477F","","","0.71073","MoKα","","0.0566","0.0397","","","0.08","0.0861","","","","","","1.076","","","","has coordinates","235112","2020-10-21","18:00:00",""
"1553546","16.1503","0.0018","8.3426","0.0009","18.1574","0.0019","90","","108.184","0.002","90","","2324.3","0.4","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C24 H28 O8 -","- C24 H28 O8 -","- C96 H112 O32 -","4","1","","Cao, Tao; Ma, Shengming","Nickel-catalyzed alkyl-zincation and carboxylation of diynes","Organic Chemistry Frontiers","2016","3","12","1711","","10.1039/C6QO00484A","","","0.71073","MoKα","","0.0716","0.057","","","0.1473","0.1612","","","","","","1.032","","","","has coordinates","235120","2020-10-21","18:00:00",""
"1553553","5.828","0.0006","8.2327","0.0008","16.8844","0.0016","90","","98.492","0.003","90","","801.23","0.14","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C19 H17 Cl O -","- C19 H17 Cl O -","- C38 H34 Cl2 O2 -","2","1","","Luo, Hongwen; Yu, Yihua; Ma, Shengming","Suzuki coupling for preparation of allenes ‒ ligand effects and chirality transfer","Organic Chemistry Frontiers","2016","3","12","1705","","10.1039/C6QO00489J","","","0.71073","MoKα","","0.0341","0.0314","","","0.0819","0.0839","","","","","","1.033","","","","has coordinates","235125","2020-10-21","18:00:00",""
"1553640","9.37666","0.00019","9.37666","0.00019","36.6305","0.0012","90","","90","","90","","3220.62","0.14","180.01","0.1","180.01","0.1","","","","","","","","4","P 43 21 2","P 4nw 2abw","96","","","","- C19 H18 N2 O3 -","- C19 H18 N2 O3 -","- C152 H144 N16 O24 -","8","1","","Zhang, Yun; Xue, Yibin; Li, Gang; Yuan, Haosen; Luo, Tuoping","Enantioselective synthesis of <i>Iboga</i> alkaloids and vinblastine <i>via</i> rearrangements of quaternary ammoniums.","Chemical science","2016","7","8","5530","5536","10.1039/c6sc00932h","","","1.5418","CuKα","","0.0471","0.0421","","","0.1015","0.1052","","","","","","1.063","","","","has coordinates","235356","2020-10-21","18:00:00",""
"1553641","13.023","0.0011","21.0779","0.0016","12.8028","0.0009","90","","90.541","0.008","90","","3514.2","0.5","180.01","0.1","180.01","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19.5 H24.5 Cl1.5 N2 -","- C19.5 H24.5 Cl1.5 N2 -","- C156 H196 Cl12 N16 -","8","2","","Zhang, Yun; Xue, Yibin; Li, Gang; Yuan, Haosen; Luo, Tuoping","Enantioselective synthesis of <i>Iboga</i> alkaloids and vinblastine <i>via</i> rearrangements of quaternary ammoniums.","Chemical science","2016","7","8","5530","5536","10.1039/c6sc00932h","","","0.71073","MoKα","","0.1306","0.0896","","","0.2077","0.2393","","","","","","1.065","","","","has coordinates","275434","2022-05-16","05:31:57",""
"1553642","12.2491","0.0009","35.949","0.003","13.088","0.0013","90","","90","","90","","5763.2","0.9","100.02","0.18","100.02","0.18","","","","","","","","3","A e a 2","A 2 -2ab","41","","","","- C18 H19 N3 -","- C18 H19 N3 -","- C288 H304 N48 -","16","2","","Zhang, Yun; Xue, Yibin; Li, Gang; Yuan, Haosen; Luo, Tuoping","Enantioselective synthesis of <i>Iboga</i> alkaloids and vinblastine <i>via</i> rearrangements of quaternary ammoniums.","Chemical science","2016","7","8","5530","5536","10.1039/c6sc00932h","","","0.71073","MoKα","","0.0576","0.0459","","","0.1079","0.116","","","","","","1.066","","","","has coordinates","235356","2020-10-21","18:00:00",""
"1554005","13.7193","0.0003","16.2571","0.0004","11.2574","0.0004","90","","90","","90","","2510.81","0.12","100","2","100","2","","","","","","","","2","P n a 21","P 2c -2n","33","","","","- C37 H24 -","- C37 H24 -","- C148 H96 -","4","1","","Kobin, Björn; Behren, Sandra; Braun-Cula, Beatrice; Hecht, Stefan","Photochemical Degradation of Various Bridge-Substituted Fluorene-Based Materials.","The journal of physical chemistry. A","2016","120","28","5474","5480","10.1021/acs.jpca.6b02127","","","0.71073","MoKα","","0.0411","0.0389","","","0.1109","0.1127","","","","","","0.999","","","","has coordinates","236415","2020-10-21","18:00:00",""
"1554006","12.1659","0.0005","21.9295","0.0012","7.1708","0.0003","90","","90","","90","","1913.11","0.15","100","2","100","2","","","","","","","","2","P n a 21","P 2c -2n","33","","","","- C27 H22 -","- C27 H22 -","- C108 H88 -","4","1","","Kobin, Björn; Behren, Sandra; Braun-Cula, Beatrice; Hecht, Stefan","Photochemical Degradation of Various Bridge-Substituted Fluorene-Based Materials.","The journal of physical chemistry. A","2016","120","28","5474","5480","10.1021/acs.jpca.6b02127","","","0.71073","MoKα","","0.059","0.0442","","","0.0837","0.0873","","","","","","1.08","","","","has coordinates","236416","2020-10-21","18:00:00",""
"1554007","34.7372","0.0018","6.7517","0.0003","7.1631","0.0003","90","","90","","90","","1680","0.13","100","2","100","2","","","","","","","","3","C m c 21","C 2c -2","36","","","","- C25 H16 O -","- C25 H16 O -","- C100 H64 O4 -","4","0.5","","Kobin, Björn; Behren, Sandra; Braun-Cula, Beatrice; Hecht, Stefan","Photochemical Degradation of Various Bridge-Substituted Fluorene-Based Materials.","The journal of physical chemistry. A","2016","120","28","5474","5480","10.1021/acs.jpca.6b02127","","","0.71073","MoKα","","0.0301","0.0299","","","0.0769","0.0771","","","","","","1.088","","","","has coordinates","236418","2020-10-21","18:00:00",""
"1554008","9.6134","0.0004","19.636","0.001","9.8168","0.0004","90","","110.275","0.003","90","","1738.29","0.14","100","2","100","2","","","","","","","","3","P 1 21/m 1","-P 2yb","11","","","","- C25 H16 F2 -","- C25 H16 F2 -","- C100 H64 F8 -","4","1","","Kobin, Björn; Behren, Sandra; Braun-Cula, Beatrice; Hecht, Stefan","Photochemical Degradation of Various Bridge-Substituted Fluorene-Based Materials.","The journal of physical chemistry. A","2016","120","28","5474","5480","10.1021/acs.jpca.6b02127","","","0.71073","MoKα","","0.0714","0.0383","","","0.0682","0.0731","","","","","","0.992","","","","has coordinates","236419","2020-10-21","18:00:00",""
"1554009","5.8715","0.0001","9.4021","0.0002","13.3312","0.0002","90","","90","","90","","735.94","0.02","20","0.1","20","0.1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C9 H8 O3 -","- C9 H8 O3 -","- C36 H32 O12 -","4","1","","Gianopoulos, Christopher G.; Zarychta, Bartosz; Cenedese, Simone; Zhurov, Vladimir V.; Pinkerton, A. Alan","Experimental and Theoretical Electron Density Determination for Two Norbornene Derivatives: Topological Analysis Provides Insights on Reactivity.","The journal of physical chemistry. A","2016","120","23","4059","4070","10.1021/acs.jpca.6b03787","","","0.71073","MoKα","","0.013","0.012","","","","0.006","0.011","","","","","1.162","","","","has coordinates","236421","2020-10-21","18:00:00",""
"1554010","5.3018","0.0001","6.9265","0.0001","18.6795","0.0005","90","","90","","90","","685.97","0.02","20","0.1","20","0.1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C8 H6 O4 -","- C8 H6 O4 -","- C32 H24 O16 -","4","1","","Gianopoulos, Christopher G.; Zarychta, Bartosz; Cenedese, Simone; Zhurov, Vladimir V.; Pinkerton, A. Alan","Experimental and Theoretical Electron Density Determination for Two Norbornene Derivatives: Topological Analysis Provides Insights on Reactivity.","The journal of physical chemistry. A","2016","120","23","4059","4070","10.1021/acs.jpca.6b03787","","","0.71073","MoKα","","0.011","0.011","","","","0.005","0.012","","","","","1.233","","","","has coordinates","236421","2020-10-21","18:00:00",""
"1554011","6.294","0.0004","20.607","0.0016","11.2176","0.0008","90","","96.233","0.008","90","","1446.33","0.18","291","2","291","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C12 H14 F6 N O P -","- C12 H14 F6 N O P -","- C48 H56 F24 N4 O4 P4 -","4","1","","Sun, Xingxing; Zhang, Baicheng; Li, Xinyang; Trindle, Carl O.; Zhang, Guoqing","External Heavy-Atom Effect via Orbital Interactions Revealed by Single-Crystal X-ray Diffraction.","The journal of physical chemistry. A","2016","120","29","5791","5797","10.1021/acs.jpca.6b03867","","","0.71073","MoKα","","0.1163","0.0865","","","0.1899","0.2061","","","","","","1.087","","","","has coordinates,has disorder","236425","2020-10-21","18:00:00",""
"1554012","16.082","0.0005","7.689","0.0015","22.68","0.0007","90","","90","","90","","2804.5","0.6","291","2","291","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C16 H16 Br N -","- C16 H16 Br N -","- C128 H128 Br8 N8 -","8","1","","Sun, Xingxing; Zhang, Baicheng; Li, Xinyang; Trindle, Carl O.; Zhang, Guoqing","External Heavy-Atom Effect via Orbital Interactions Revealed by Single-Crystal X-ray Diffraction.","The journal of physical chemistry. A","2016","120","29","5791","5797","10.1021/acs.jpca.6b03867","","","1.54184","CuKα","","0.0602","0.0473","","","0.1242","0.1383","","","","","","1.036","","","","has coordinates","236427","2020-10-21","18:00:00",""
"1554013","15.898","0.0013","7.6343","0.0005","22.722","0.0018","90","","90","","90","","2757.8","0.4","290","2","290","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C16 H16 Cl N -","- C16 H16 Cl N -","- C128 H128 Cl8 N8 -","8","1","","Sun, Xingxing; Zhang, Baicheng; Li, Xinyang; Trindle, Carl O.; Zhang, Guoqing","External Heavy-Atom Effect via Orbital Interactions Revealed by Single-Crystal X-ray Diffraction.","The journal of physical chemistry. A","2016","120","29","5791","5797","10.1021/acs.jpca.6b03867","","","0.71073","MoKα","","0.1302","0.0654","","","0.1576","0.1981","","","","","","1.021","","","","has coordinates","236429","2020-10-21","18:00:00",""
"1554014","7.7226","0.0005","15.495","0.0009","10.3948","0.0006","90","","97.226","0.005","90","","1233.98","0.13","291","2","291","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C12 H11 Br F3 N -","- C12 H11 Br F3 N -","- C48 H44 Br4 F12 N4 -","4","1","","Sun, Xingxing; Zhang, Baicheng; Li, Xinyang; Trindle, Carl O.; Zhang, Guoqing","External Heavy-Atom Effect via Orbital Interactions Revealed by Single-Crystal X-ray Diffraction.","The journal of physical chemistry. A","2016","120","29","5791","5797","10.1021/acs.jpca.6b03867","","","0.71073","MoKα","","0.0562","0.0335","","","0.0607","0.0675","","","","","","1.042","","","","has coordinates,has disorder","236431","2020-10-21","18:00:00",""
"1554015","17.0726","0.0005","21.6048","0.0008","26.727","0.0007","90","","90","","90","","9858.3","0.5","290","2","290","2","","","","","","","","5","F d d d :2","-F 2uv 2vw","70","","","","- C12 H14 I N O -","- C12 H14 I N O -","- C384 H448 I32 N32 O32 -","32","1","","Sun, Xingxing; Zhang, Baicheng; Li, Xinyang; Trindle, Carl O.; Zhang, Guoqing","External Heavy-Atom Effect via Orbital Interactions Revealed by Single-Crystal X-ray Diffraction.","The journal of physical chemistry. A","2016","120","29","5791","5797","10.1021/acs.jpca.6b03867","","","0.71073","MoKα","","0.0533","0.0396","","","0.1253","0.1341","","","","","","1.073","","","","has coordinates","236433","2020-10-21","18:00:00",""
"1554016","16.3828","0.0018","8.1068","0.0007","24.499","0.003","90","","90","","90","","3253.8","0.6","290","2","290","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C18 H20 Br N -","- C18 H20 Br N -","- C144 H160 Br8 N8 -","8","1","","Sun, Xingxing; Zhang, Baicheng; Li, Xinyang; Trindle, Carl O.; Zhang, Guoqing","External Heavy-Atom Effect via Orbital Interactions Revealed by Single-Crystal X-ray Diffraction.","The journal of physical chemistry. A","2016","120","29","5791","5797","10.1021/acs.jpca.6b03867","","","0.71073","MoKα","","0.1508","0.0557","","","0.1192","0.1547","","","","","","1.012","","","","has coordinates","236435","2020-10-21","18:00:00",""
"1554017","5.3267","0.0007","12.3539","0.0016","17.375","0.003","90","","95.587","0.012","90","","1137.9","0.3","290","2","290","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H12 Cl N -","- C14 H12 Cl N -","- C56 H48 Cl4 N4 -","4","1","","Sun, Xingxing; Zhang, Baicheng; Li, Xinyang; Trindle, Carl O.; Zhang, Guoqing","External Heavy-Atom Effect via Orbital Interactions Revealed by Single-Crystal X-ray Diffraction.","The journal of physical chemistry. A","2016","120","29","5791","5797","10.1021/acs.jpca.6b03867","","","0.71073","MoKα","","0.0894","0.0562","","","0.1352","0.1565","","","","","","1.046","","","","has coordinates","236437","2020-10-21","18:00:00",""
"1554018","5.5702","0.0003","12.2317","0.0008","17.8865","0.0012","90","","97.608","0.006","90","","1207.93","0.13","291","2","291","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H12 I N -","- C14 H12 I N -","- C56 H48 I4 N4 -","4","1","","Sun, Xingxing; Zhang, Baicheng; Li, Xinyang; Trindle, Carl O.; Zhang, Guoqing","External Heavy-Atom Effect via Orbital Interactions Revealed by Single-Crystal X-ray Diffraction.","The journal of physical chemistry. A","2016","120","29","5791","5797","10.1021/acs.jpca.6b03867","","","0.71073","MoKα","","0.0565","0.0368","","","0.0772","0.0862","","","","","","1.022","","","","has coordinates","236438","2020-10-21","18:00:00",""
"1554019","6.9573","0.0009","8.2064","0.0011","11.7459","0.001","78.273","0.009","85.744","0.009","74.308","0.011","632.02","0.14","290","2","290","2","","","","","","","","5","P -1","-P 1","2","","","","- C11 H12 F6 N P -","- C11 H12 F6 N P -","- C22 H24 F12 N2 P2 -","2","1","","Sun, Xingxing; Zhang, Baicheng; Li, Xinyang; Trindle, Carl O.; Zhang, Guoqing","External Heavy-Atom Effect via Orbital Interactions Revealed by Single-Crystal X-ray Diffraction.","The journal of physical chemistry. A","2016","120","29","5791","5797","10.1021/acs.jpca.6b03867","","","0.71073","MoKα","","0.0678","0.0566","","","0.1597","0.1707","","","","","","1.082","","","","has coordinates","236440","2020-10-21","18:00:00",""
"1554020","7.4785","0.0005","17.1724","0.001","8.742","0.0006","90","","97.94","0.007","90","","1111.92","0.13","294","2","294","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C11 H12 I N -","- C11 H12 I N -","- C44 H48 I4 N4 -","4","1","","Sun, Xingxing; Zhang, Baicheng; Li, Xinyang; Trindle, Carl O.; Zhang, Guoqing","External Heavy-Atom Effect via Orbital Interactions Revealed by Single-Crystal X-ray Diffraction.","The journal of physical chemistry. A","2016","120","29","5791","5797","10.1021/acs.jpca.6b03867","","","0.71073","MoKα","","0.0405","0.0291","","","0.0656","0.0711","","","","","","1.021","","","","has coordinates","236442","2020-10-21","18:00:00",""
"1554021","7.9102","0.0009","8.4568","0.0009","9.3598","0.0007","94.319","0.007","104.239","0.008","109.133","0.01","564.99","0.11","291","2","291","2","","","","","","","","5","P -1","-P 1","2","","","","- C11 H14 Br N O -","- C11 H14 Br N O -","- C22 H28 Br2 N2 O2 -","2","1","","Sun, Xingxing; Zhang, Baicheng; Li, Xinyang; Trindle, Carl O.; Zhang, Guoqing","External Heavy-Atom Effect via Orbital Interactions Revealed by Single-Crystal X-ray Diffraction.","The journal of physical chemistry. A","2016","120","29","5791","5797","10.1021/acs.jpca.6b03867","","","0.71073","MoKα","","0.0611","0.0408","","","0.0848","0.0944","","","","","","1.03","","","","has coordinates","236443","2020-10-21","18:00:00",""
"1554022","9.789","0.0008","12.5062","0.0011","10.3991","0.0009","90","","91.746","0.007","90","","1272.5","0.19","291","2","291","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C12 H16 Br N O2 -","- C12 H16 Br N O2 -","- C48 H64 Br4 N4 O8 -","4","1","","Sun, Xingxing; Zhang, Baicheng; Li, Xinyang; Trindle, Carl O.; Zhang, Guoqing","External Heavy-Atom Effect via Orbital Interactions Revealed by Single-Crystal X-ray Diffraction.","The journal of physical chemistry. A","2016","120","29","5791","5797","10.1021/acs.jpca.6b03867","","","0.71073","MoKα","","0.0782","0.0417","","","0.0898","0.1043","","","","","","1.01","","","","has coordinates","236446","2020-10-21","18:00:00",""
"1554023","16.4326","0.0017","7.7795","0.0005","22.582","0.002","90","","90","","90","","2886.8","0.4","291","2","291","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C16 H16 I N -","- C16 H16 I N -","- C128 H128 I8 N8 -","8","1","","Sun, Xingxing; Zhang, Baicheng; Li, Xinyang; Trindle, Carl O.; Zhang, Guoqing","External Heavy-Atom Effect via Orbital Interactions Revealed by Single-Crystal X-ray Diffraction.","The journal of physical chemistry. A","2016","120","29","5791","5797","10.1021/acs.jpca.6b03867","","","0.71073","MoKα","","0.0695","0.0431","","","0.0946","0.1083","","","","","","1.021","","","","has coordinates","236448","2020-10-21","18:00:00",""
"1554024","5.4234","0.0004","12.2775","0.0009","17.5537","0.0011","90","","96.458","0.005","90","","1161.41","0.14","291","2","291","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H12 Br N -","- C14 H12 Br N -","- C56 H48 Br4 N4 -","4","1","","Sun, Xingxing; Zhang, Baicheng; Li, Xinyang; Trindle, Carl O.; Zhang, Guoqing","External Heavy-Atom Effect via Orbital Interactions Revealed by Single-Crystal X-ray Diffraction.","The journal of physical chemistry. A","2016","120","29","5791","5797","10.1021/acs.jpca.6b03867","","","0.71073","MoKα","","0.0864","0.0459","","","0.0683","0.0801","","","","","","1.057","","","","has coordinates","236449","2020-10-21","18:00:00",""
"1554025","15.8119","0.0012","7.3074","0.0004","11.4308","0.0005","90","","90","","90","","1320.76","0.14","294","2","294","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C12 H11 F3 I N -","- C12 H11 F3 I N -","- C48 H44 F12 I4 N4 -","4","0.5","","Sun, Xingxing; Zhang, Baicheng; Li, Xinyang; Trindle, Carl O.; Zhang, Guoqing","External Heavy-Atom Effect via Orbital Interactions Revealed by Single-Crystal X-ray Diffraction.","The journal of physical chemistry. A","2016","120","29","5791","5797","10.1021/acs.jpca.6b03867","","","0.71073","MoKα","","0.0473","0.034","","","0.0801","0.087","","","","","","1.032","","","","has coordinates","236451","2020-10-21","18:00:00",""
"1554026","5.624","0.0003","5.9498","0.0003","7.6329","0.0003","72.216","0.004","70.897","0.004","88.601","0.004","229","0.02","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C H3 N3 O2 S -","- C H3 N3 O2 S -","- C2 H6 N6 O4 S2 -","2","1","","Deng, Guohai; Li, Dingqing; Wu, Zhuang; Li, Hongmin; Bernhardt, Eduard; Zeng, Xiaoqing","Methanesulfonyl Azide: Molecular Structure and Photolysis in Solid Noble Gas Matrices.","The journal of physical chemistry. A","2016","120","28","5590","5597","10.1021/acs.jpca.6b05533","","","0.71073","MoKα","","0.0283","0.0256","","","0.0674","0.0697","","","","","","1.052","","","","has coordinates","236453","2020-10-21","18:00:00",""
"1554027","26.5617","0.0007","5.7076","0.0001","20.2096","0.0006","90","","109.72","0.003","90","","2884.16","0.14","104","8","104","2","","","","","","","","3","I 1 2/a 1","-I 2ya","15","triphenyl bismuth","","","- C18 H15 Bi -","- C18 H15 Bi -","- C144 H120 Bi8 -","8","1","","Bučinský, Lukáš; Jayatilaka, Dylan; Grabowsky, Simon","Importance of Relativistic Effects and Electron Correlation in Structure Factors and Electron Density of Diphenyl Mercury and Triphenyl Bismuth.","The journal of physical chemistry. A","2016","120","33","6650","6669","10.1021/acs.jpca.6b05769","","x-ray","0.71073","MoKα","","0.0383","0.0295","","","0.0598","0.063","","","","","","1.066","","","","has coordinates","236455","2020-10-21","18:00:00",""
"1554028","25.335","0.005","25.335","0.005","9.7336","0.0014","90","","90","","120","","5410.6","1.7","100","1.2","100","2","","","","","","","","2","P -3 c 1","-P 3 2""c","165","","","","- C50 H38 -","- C50 H38 -","- C300 H228 -","6","0.5","","Hathwar, Venkatesha R.; Thomsen, Maja K.; Mamakhel, Mohammad Aref H.; Filsø, Mette Ø; Overgaard, Jacob; Iversen, Bo B.","Electron Density Analysis of the ""O-O"" Charge-Shift Bonding in Rubrene Endoperoxide.","The journal of physical chemistry. A","2016","120","38","7510","7518","10.1021/acs.jpca.6b06588","","x-ray","0.71073","MoKα","","0.0761","0.059","","","0.1326","0.1454","","","","","","1.05","","","","has coordinates","236457","2020-10-21","18:00:00",""
"1554029","10.9977","0.0008","12.7275","0.001","25.4982","0.0019","76.418","0.003","88.985","0.003","66.708","0.002","3175.2","0.4","100","2","100","2","","","","","","","","2","P -1","-P 1","2","","","","- C46 H35 -","- C46 H35 -","- C184 H140 -","4","2","","Hathwar, Venkatesha R.; Thomsen, Maja K.; Mamakhel, Mohammad Aref H.; Filsø, Mette Ø; Overgaard, Jacob; Iversen, Bo B.","Electron Density Analysis of the ""O-O"" Charge-Shift Bonding in Rubrene Endoperoxide.","The journal of physical chemistry. A","2016","120","38","7510","7518","10.1021/acs.jpca.6b06588","","","0.56086","","","0.0742","0.0551","","","0.1306","0.1423","","","","","","1.045","","","","has coordinates","236459","2020-10-21","18:00:00",""
"1554030","11.1827","0.0001","21.6777","0.0003","13.4109","0.0001","90","","102.344","0.001","90","","3175.85","0.06","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","Rubrene peroxide p-xylene monosolvate","","","- C46 H33 O2 -","- C46 H33 O2 -","- C184 H132 O8 -","4","1","","Hathwar, Venkatesha R.; Thomsen, Maja K.; Mamakhel, Mohammad Aref H.; Filsø, Mette Ø; Overgaard, Jacob; Iversen, Bo B.","Electron Density Analysis of the ""O-O"" Charge-Shift Bonding in Rubrene Endoperoxide.","The journal of physical chemistry. A","2016","120","38","7510","7518","10.1021/acs.jpca.6b06588","","","0.7107","MoKα","","0.0346","0.0301","","","","0.0602","","","","","","1.41","","","","has coordinates","236461","2020-10-21","18:00:00",""
"1554043","16.5192","0.0006","16.5192","0.0006","46.471","0.003","90","","90","","90","","12681.2","1","200","2","200.15","","","","","","","","","4","P 41 21 2","P 4abw 2nw","92","","","","- C45.5 Cl6 Eu P3 -","- C45.5 Cl6 Eu P3 -","- C364 Cl48 Eu8 P24 -","8","1","","Alvarez-Vicente, Jorge; Dandil, Sahra; Banerjee, Dipanjan; Gunaratne, H. Q. Nimal; Gray, Suzanne; Felton, Solveig; Srinivasan, Geetha; Kaczmarek, Anna M.; Van Deun, Rik; Nockemann, Peter","Easily Accessible Rare-Earth-Containing Phosphonium Room-Temperature Ionic Liquids: EXAFS, Luminescence, and Magnetic Properties.","The journal of physical chemistry. B","2016","120","23","5301","5311","10.1021/acs.jpcb.6b03870","","","0.71073","MoKα","","0.1469","0.1267","","","0.2721","0.2823","","","","","","1.198","","","","has coordinates","236484","2020-10-21","18:00:00",""
"1554044","6.4415","0.0005","7.3787","0.0006","8.5998","0.0008","105.661","0.004","107.985","0.003","96.254","0.003","366","0.05","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C10 H14 Co N8 O2 -","- C10 H14 Co N8 O2 -","- C10 H14 Co N8 O2 -","1","0.5","","Pal, Pampi; Konar, Saugata; Lama, Prem; Das, Kinsuk; Bauzá, Antonio; Frontera, Antonio; Mukhopadhyay, Subrata","On the Importance of Noncovalent Carbon-Bonding Interactions in the Stabilization of a 1D Co(II) Polymeric Chain as a Precursor of a Novel 2D Coordination Polymer.","The journal of physical chemistry. B","2016","120","27","6803","6811","10.1021/acs.jpcb.6b04046","","","0.71073","MoKα","","0.0378","0.0376","","","0.1269","0.1271","","","","","","1.126","","","","has coordinates","236486","2020-10-21","18:00:00",""
"1554045","13.9366","0.001","8.8995","0.0006","14.6385","0.001","90","","117.76","0.002","90","","1606.63","0.19","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H11 Co N9 -","- C14 H11 Co N9 -","- C56 H44 Co4 N36 -","4","1","","Pal, Pampi; Konar, Saugata; Lama, Prem; Das, Kinsuk; Bauzá, Antonio; Frontera, Antonio; Mukhopadhyay, Subrata","On the Importance of Noncovalent Carbon-Bonding Interactions in the Stabilization of a 1D Co(II) Polymeric Chain as a Precursor of a Novel 2D Coordination Polymer.","The journal of physical chemistry. B","2016","120","27","6803","6811","10.1021/acs.jpcb.6b04046","","","0.71073","MoKα","","0.0514","0.0398","","","0.1495","0.1565","","","","","","1.277","","","","has coordinates","236487","2020-10-21","18:00:00",""
"1554046","11.549","0.005","11.549","0.005","27.874","0.005","90","0.005","90","0.005","120","0.005","3220","2","100","","100","","","","","","","","","4","P 32 2 1","P 32 2""","154","","","","- C53 H47 N O6 -","- C53 H47 N O6 -","- C159 H141 N3 O18 -","3","0.5","","Pitrat, Delphine; Daugey, Nicolas; Jean, Marion; Vanthuyne, Nicolas; Wien, Frank; Ducasse, Laurent; Calin, Nathalie; Buffeteau, Thierry; Brotin, Thierry","Unusual Chiroptical Properties of the Cryptophane-222 Skeleton.","The journal of physical chemistry. B","2016","120","49","12650","12659","10.1021/acs.jpcb.6b09771","","","1.5418","CuKα","","0.0472","0.0468","","","0.1252","0.1258","","","","","","1.04","","","","has coordinates,has disorder","236489","2020-10-21","18:00:00",""
"1554047","11.5313","0.0007","11.5313","0.0007","27.9387","0.0018","90","","90","","120","","3217.3","0.3","100","","100","","","","","","","","","3","P 31 2 1","P 31 2""","152","","","","- C48 H42 O6 -","- C48 H42 O6 -","- C144 H126 O18 -","3","0.5","","Pitrat, Delphine; Daugey, Nicolas; Jean, Marion; Vanthuyne, Nicolas; Wien, Frank; Ducasse, Laurent; Calin, Nathalie; Buffeteau, Thierry; Brotin, Thierry","Unusual Chiroptical Properties of the Cryptophane-222 Skeleton.","The journal of physical chemistry. B","2016","120","49","12650","12659","10.1021/acs.jpcb.6b09771","","","1.54184","CuKα","","0.0504","0.0472","","","0.1187","0.1222","","","","","","1.084","","","","has coordinates,has disorder","236491","2020-10-21","18:00:00",""
"1554065","9.4976","0.001","20.413","0.002","10.0843","0.0009","90","","112.307","0.009","90","","1808.8","0.3","293","","293","","","","","","","","","2","P 1 21/a 1","-P 2yab","14","","9,10-Diphenylanthracene","","- C26 H18 -","- C26 H18 -","- C104 H72 -","4","1","","Salzillo, Tommaso; Della Valle, Raffaele Guido; Venuti, Elisabetta; Brillante, Aldo; Siegrist, Theo; Masino, Matteo; Mezzadri, Francesco; Girlando, Alberto","Two New Polymorphs of the Organic Semiconductor 9,10-Diphenylanthracene: Raman and X-ray Analysis","The Journal of Physical Chemistry C","2016","120","3","1831","","10.1021/acs.jpcc.5b11115","","","0.71073","MoKα","","0.1273","0.0478","","0.0577","0.0457","0.0457","","","","","","0.9513","","","","has coordinates","236522","2020-10-21","18:00:00",""
"1554066","9.4051","0.0009","20.2644","0.0019","9.9777","0.0009","90","","113.003","0.009","90","","1750.4","0.3","105","","293","","","","","","","","9,10-Diphemylanthracene","2","P 1 21/a 1","-P 2yab","14","","","","- C26 H18 -","- C26 H18 -","- C104 H72 -","4","1","","Salzillo, Tommaso; Della Valle, Raffaele Guido; Venuti, Elisabetta; Brillante, Aldo; Siegrist, Theo; Masino, Matteo; Mezzadri, Francesco; Girlando, Alberto","Two New Polymorphs of the Organic Semiconductor 9,10-Diphenylanthracene: Raman and X-ray Analysis","The Journal of Physical Chemistry C","2016","120","3","1831","","10.1021/acs.jpcc.5b11115","","","0.71073","MoKα","","0.0945","0.0475","","0.0875","0.0782","0.0782","","","","","","0.8514","","","","has coordinates","236522","2020-10-21","18:00:00",""
"1554067","9.4528","0.0009","20.337","0.0019","10.0264","0.0009","90","","112.802","0.009","90","","1776.9","0.3","200","","293","","","","","","","","9,10-Diphenilanthracene","2","P 1 21/a 1","-P 2yab","14","","","","- C26 H18 -","- C26 H18 -","- C104 H72 -","4","1","","Salzillo, Tommaso; Della Valle, Raffaele Guido; Venuti, Elisabetta; Brillante, Aldo; Siegrist, Theo; Masino, Matteo; Mezzadri, Francesco; Girlando, Alberto","Two New Polymorphs of the Organic Semiconductor 9,10-Diphenylanthracene: Raman and X-ray Analysis","The Journal of Physical Chemistry C","2016","120","3","1831","","10.1021/acs.jpcc.5b11115","","","0.71073","MoKα","","0.1177","0.0472","","0.0777","0.0704","0.0704","","","","","","0.8308","","","","has coordinates","236522","2020-10-21","18:00:00",""
"1554068","9.216","0.002","21.111","0.005","10.041","0.002","90","","111.404","0.004","90","","1818.8","0.7","293","2","293","2","","","","","","","","2","P 1 21/n 1","-P 2yn","14","9,10-Diphenylanthracene","","","- C26 H18 -","- C26 H18 -","- C104 H72 -","4","1","","Salzillo, Tommaso; Della Valle, Raffaele Guido; Venuti, Elisabetta; Brillante, Aldo; Siegrist, Theo; Masino, Matteo; Mezzadri, Francesco; Girlando, Alberto","Two New Polymorphs of the Organic Semiconductor 9,10-Diphenylanthracene: Raman and X-ray Analysis","The Journal of Physical Chemistry C","2016","120","3","1831","","10.1021/acs.jpcc.5b11115","","","0.71073","MoKα","","0.0857","0.0533","","","0.1367","0.1516","","","","","","1.077","","","","has coordinates","236523","2020-10-21","18:00:00",""
"1554069","5.93493","0.0001","6.94133","0.00011","20.5754","0.0006","90","","90","","90","","847.63","0.03","","","294","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C6 H16 N2 O3 -","- C6 H16 N2 O3 -","- C24 H64 N8 O12 -","4","1","","Williams, P. Andrew; Hughes, Colan E.; Martin, Jean; Courvoisier, Emilie; Buanz, Asma B. M.; Gaisford, Simon; Harris, Kenneth D. M.","Understanding the Solid-State Hydration Behavior of a Common Amino Acid: Identification, Structural Characterization, and Hydration/Dehydration Processes of New Hydrate Phases of l-Lysine","The Journal of Physical Chemistry C","2016","120","17","9385","","10.1021/acs.jpcc.5b12420","powder diffraction","x-ray","1.5406","","","","","","","","","0.09509","","1.47","","","","","","","has coordinates","236526","2020-10-21","18:00:00",""
"1554070","9.5309","0.00027","5.21728","0.00017","17.6011","0.0008","90","","101.078","0.004","90","","858.91","0.06","","","294","","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C12 H29.99 N4 O5 -","- C12 H29.994 N4 O5 -","- C24 H59.988 N8 O10 -","2","0.5","","Williams, P. Andrew; Hughes, Colan E.; Martin, Jean; Courvoisier, Emilie; Buanz, Asma B. M.; Gaisford, Simon; Harris, Kenneth D. M.","Understanding the Solid-State Hydration Behavior of a Common Amino Acid: Identification, Structural Characterization, and Hydration/Dehydration Processes of New Hydrate Phases of l-Lysine","The Journal of Physical Chemistry C","2016","120","17","9385","","10.1021/acs.jpcc.5b12420","powder diffraction","x-ray","1.5406","","","","","","","","","0.24366","","1.37","","","","","","","has coordinates","236527","2020-10-21","18:00:00",""
"1554071","25.7579","0.001","15.1253","0.0006","34.8905","0.0016","90","","90.269","0.003","90","","13593","1","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C72 H162 Au30 S18 -","- C72 H162 Au30 S18 -","- C288 H648 Au120 S72 -","4","1","","Dass, Amala; Jones, Tanya; Rambukwella, Milan; Crasto, David; Gagnon, Kevin J.; Sementa, Luca; De Vetta, Martina; Baseggio, Oscar; Aprà, Edoardo; Stener, Mauro; Fortunelli, Alessandro","Crystal Structure and Theoretical Analysis of Green Gold Au30(S-tBu)18 Nanomolecules and Their Relation to Au30S(S-tBu)18","The Journal of Physical Chemistry C","2016","120","11","6256","","10.1021/acs.jpcc.6b00062","","","0.7293","synchrotron","","0.146","0.1093","","","0.2403","0.2656","","","","","","1.129","","","","has coordinates,has disorder","236528","2020-10-21","18:00:00",""
"1554072","15.5483","0.0006","19.9503","0.0007","25.7248","0.001","110.284","0.002","92.037","0.002","108.139","0.002","7020.1","0.5","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C72 H162 Au30 S18 -","- C71.972 H161.937 Au30 S18 -","- C143.944 H323.874 Au60 S36 -","2","1","","Dass, Amala; Jones, Tanya; Rambukwella, Milan; Crasto, David; Gagnon, Kevin J.; Sementa, Luca; De Vetta, Martina; Baseggio, Oscar; Aprà, Edoardo; Stener, Mauro; Fortunelli, Alessandro","Crystal Structure and Theoretical Analysis of Green Gold Au30(S-tBu)18 Nanomolecules and Their Relation to Au30S(S-tBu)18","The Journal of Physical Chemistry C","2016","120","11","6256","","10.1021/acs.jpcc.6b00062","","","0.7749","synchrotron","","0.0871","0.0526","","","0.1163","0.1335","","","","","","1.027","","","","has coordinates,has disorder","236530","2020-10-21","18:00:00",""
"1554073","36.1167","0.0008","36.1167","0.0008","14.507","0.0004","90","","90","","90","","18923.2","0.8","293","2","293","2","","","","","","","","6","I 41/a :2","-I 4ad","88","","","","- C66 H132 Co4 Dy2 N8 O30 -","- C66 H132 Co4 Dy2 N8 O30 -","- C528 H1056 Co32 Dy16 N64 O240 -","8","0.5","","Radu, Ioana; Kravtsov, Victor Ch.; Krämer, Karl; Decurtins, Silvio; Liu, Shi-Xia; Reu, Oleg S.; Ostrovsky, Serghei M.; Klokishner, Sophia I.; Baca, Svetlana G.","Synthesis, Characterization, and Modeling of Magnetic Properties of a Hexanuclear Amino Alcohol-Supported {CoII2CoIII2DyIII2} Pivalate Cluster","The Journal of Physical Chemistry C","2016","120","13","7435","","10.1021/acs.jpcc.6b01378","","","0.71073","MoKα","","0.0959","0.0502","","","0.1039","0.1192","","","","","","1.003","","","","has coordinates,has disorder","236532","2020-10-21","18:00:00",""
"1554074","7.3893","0.0003","21.4956","0.0008","20.095","0.0008","90","","91.442","0.002","90","","3190.8","0.2","105","","105","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C38 H31 N5 S2 -","- C38 H31 N5 S2 -","- C152 H124 N20 S8 -","4","1","","Tremblay, Marie-Hélène; Skalski, Thomas; Gautier, Yohan; Pianezzola, Grégory; Skene, W. G.","Investigation of Triphenylamine‒Thiophene‒Azomethine Derivatives: Toward Understanding Their Electrochromic Behavior","The Journal of Physical Chemistry C","2016","120","17","9081","","10.1021/acs.jpcc.6b01675","","x-ray","1.34139","GaKα","","0.0726","0.0591","","","0.1461","0.1571","","","","","","1.024","","","","has coordinates","236534","2020-10-21","18:00:00",""
"1554075","6.0602","0.0004","13.2376","0.0007","17.2213","0.001","88.871","0.002","85.214","0.002","79.282","0.002","1352.69","0.14","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","","","- C9 H10 Cl N O2 -","- C9 H10 Cl N O2 -","- C54 H60 Cl6 N6 O12 -","6","3","","Szell, Patrick M. J.; Bryce, David L.","35Cl Solid-State NMR and Computational Study of Chlorine Halogen Bond Donors in Single-Component Crystalline Chloronitriles","The Journal of Physical Chemistry C","2016","120","20","11121","","10.1021/acs.jpcc.6b02806","","","0.71073","MoKα","","0.0605","0.0454","","","0.1276","0.1377","","","","","","1.073","","","","has coordinates","274176","2022-03-31","10:10:26",""
"1554076","3.8642","0.0002","13.7861","0.0007","13.8809","0.0007","90","","91.073","0.004","90","","739.34","0.07","200","2","200","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C7 H3 Cl2 N -","- C7 H3 Cl2 N -","- C28 H12 Cl8 N4 -","4","1","","Szell, Patrick M. J.; Bryce, David L.","35Cl Solid-State NMR and Computational Study of Chlorine Halogen Bond Donors in Single-Component Crystalline Chloronitriles","The Journal of Physical Chemistry C","2016","120","20","11121","","10.1021/acs.jpcc.6b02806","","","0.71073","MoKα","","0.0432","0.0367","","","0.1018","0.1083","","","","","","1.043","","","","has coordinates","277994","2022-09-20","08:32:41",""
"1554077","17.9548","0.0008","5.7876","0.0003","26.0111","0.0013","90","","101.218","0.005","90","","2651.3","0.2","293","2","293.15","","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","","","","- C40 H26 -","- C40 H26 -","- C160 H104 -","4","1","","Li, Ye-Xin; Yang, Xiao-Feng; Miao, Jin-Ling; Sun, Guo-Xin","Substitution Position and Vinylene Bond Geometry Modulating the Fluorescence Solvatochromism and Aggregation-Induced Emission of (9-Anthryl)vinyl(1-pyrenyl)vinylbenzene Isomers","The Journal of Physical Chemistry C","2016","120","38","21722","","10.1021/acs.jpcc.6b04392","","x-ray","1.54184","CuKα","","0.106","0.0782","","","0.2099","0.2425","","","","","","1.016","","","","has coordinates","236540","2020-10-21","18:00:00",""
"1554078","18.261","0.005","6.743","0.0018","21.906","0.004","90","","98.39","0.02","90","","2668.5","1.1","293","2","293.15","","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","","","","- C40 H26 -","- C40 H26 -","- C160 H104 -","4","1","","Li, Ye-Xin; Yang, Xiao-Feng; Miao, Jin-Ling; Sun, Guo-Xin","Substitution Position and Vinylene Bond Geometry Modulating the Fluorescence Solvatochromism and Aggregation-Induced Emission of (9-Anthryl)vinyl(1-pyrenyl)vinylbenzene Isomers","The Journal of Physical Chemistry C","2016","120","38","21722","","10.1021/acs.jpcc.6b04392","","x-ray","1.54184","CuKα","","0.1773","0.0892","","","0.2145","0.289","","","","","","0.96","","","","has coordinates","236542","2020-10-21","18:00:00",""
"1554079","15.2929","0.0017","15.2929","0.0017","22.699","0.003","90","","90","","120","","4597.5","0.9","296","2","296","2","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","","","- B8 Ba10 F K5 O24 -","- B8 Ba10.02 F K4.98 O24 -","- B48 Ba60.12 F6 K29.88 O144 -","6","0.166667","","Liu, Lili; Yang, Yun; Jing, Qun; Dong, Xiaoyu; Yang, Zhihua; Pan, Shilie; Wu, Kui","K5Ba10(BO3)8F: A New Potassium Barium Borate Fluoride with a Perovskite-Like Structure","The Journal of Physical Chemistry C","2016","120","33","18763","","10.1021/acs.jpcc.6b05489","","","0.71073","MoKα","","0.0381","0.0339","","","0.0936","0.0965","","","","","","1.099","","","","has coordinates","236544","2020-10-21","18:00:00",""
"1554080","7.2297","0.0002","9.3101","0.0003","23.7779","0.0006","90","","96.213","0.002","90","","1591.07","0.08","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C19 H14 B F2 N3 O -","- C19 H14 B F2 N3 O -","- C76 H56 B4 F8 N12 O4 -","4","1","","Singh, Roop Shikha; Kumar, Ashish; Mukhopadhyay, Sujay; Sharma, Gunjan; Koch, Biplob; Pandey, Daya Shankar","An Unconventional Mechanistic Insight on Aggregation Induced Emission in Novel Boron Dipyrromethenes and Their Rational Biological Realizations","The Journal of Physical Chemistry C","2016","120","39","22605","","10.1021/acs.jpcc.6b05548","","","0.71073","MoKα","","0.0783","0.0553","","","0.1368","0.1509","","","","","","1.078","","","","has coordinates","236546","2020-10-21","18:00:00",""
"1554081","10.4767","0.0008","20.757","0.0011","8.7718","0.0007","90","","107.202","0.008","90","","1822.2","0.2","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C20 H16 B F2 N3 O2 -","- C20 H16 B F2 N3 O2 -","- C80 H64 B4 F8 N12 O8 -","4","1","","Singh, Roop Shikha; Kumar, Ashish; Mukhopadhyay, Sujay; Sharma, Gunjan; Koch, Biplob; Pandey, Daya Shankar","An Unconventional Mechanistic Insight on Aggregation Induced Emission in Novel Boron Dipyrromethenes and Their Rational Biological Realizations","The Journal of Physical Chemistry C","2016","120","39","22605","","10.1021/acs.jpcc.6b05548","","","0.71073","MoKα","","0.0849","0.0622","","","0.204","0.2294","","","","","","0.815","","","","has coordinates","236546","2020-10-21","18:00:00",""
"1554082","14.5623","0.0002","7.70158","0.00008","16.3082","0.0003","90","","115.411","0.002","90","","1652.06","0.05","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C21 H18 Fe N2 O -","- C21 H18 Fe N2 O -","- C84 H72 Fe4 N8 O4 -","4","1","","Senthilkumar, Kabali; Pizzotti, Maddalena; Thirumoorthy, Krishnan; Di Carlo, Gabriele; Righetto, Stefania; Orbelli Biroli, Alessio; Haukka, Matti; Palanisami, Nallasamy","New Internal-Charge-Transfer Second-Order Nonlinear Optical Chromophores Based on the Donor Ferrocenylpyrazole Moiety","The Journal of Physical Chemistry C","2016","120","36","20277","","10.1021/acs.jpcc.6b06364","","","0.71073","MoKα","","0.0309","0.027","","","0.0724","0.0749","","","","","","1.043","","","","has coordinates","236549","2020-10-21","18:00:00",""
"1554083","15.4527","0.0002","9.963","0.0001","10.9741","0.0002","90","","109.922","0.002","90","","1588.41","0.04","","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H17 F Fe N2 -","- C20 H17 F Fe N2 -","- C80 H68 F4 Fe4 N8 -","4","1","","Senthilkumar, Kabali; Pizzotti, Maddalena; Thirumoorthy, Krishnan; Di Carlo, Gabriele; Righetto, Stefania; Orbelli Biroli, Alessio; Haukka, Matti; Palanisami, Nallasamy","New Internal-Charge-Transfer Second-Order Nonlinear Optical Chromophores Based on the Donor Ferrocenylpyrazole Moiety","The Journal of Physical Chemistry C","2016","120","36","20277","","10.1021/acs.jpcc.6b06364","","","","","","0.031","","","","","","","","","","","","","","","has coordinates","236549","2020-10-21","18:00:00",""
"1554084","15.977","0.0003","9.55612","0.00014","11.1645","0.0002","90","","104.582","0.0019","90","","1649.67","0.05","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C21 H17 Fe N3 -","- C21 H17 Fe N3 -","- C84 H68 Fe4 N12 -","4","1","","Senthilkumar, Kabali; Pizzotti, Maddalena; Thirumoorthy, Krishnan; Di Carlo, Gabriele; Righetto, Stefania; Orbelli Biroli, Alessio; Haukka, Matti; Palanisami, Nallasamy","New Internal-Charge-Transfer Second-Order Nonlinear Optical Chromophores Based on the Donor Ferrocenylpyrazole Moiety","The Journal of Physical Chemistry C","2016","120","36","20277","","10.1021/acs.jpcc.6b06364","","","0.71073","MoKα","","0.0317","0.0274","","","0.0751","0.0773","","","","","","1.044","","","","has coordinates","236549","2020-10-21","18:00:00",""
"1554085","14.02705","0.00015","7.704","0.00006","16.75104","0.00016","90","","112.412","0.0012","90","","1673.45","0.03","120","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H17 Fe N3 O2 -","- C20 H17 Fe N3 O2 -","- C80 H68 Fe4 N12 O8 -","4","1","","Senthilkumar, Kabali; Pizzotti, Maddalena; Thirumoorthy, Krishnan; Di Carlo, Gabriele; Righetto, Stefania; Orbelli Biroli, Alessio; Haukka, Matti; Palanisami, Nallasamy","New Internal-Charge-Transfer Second-Order Nonlinear Optical Chromophores Based on the Donor Ferrocenylpyrazole Moiety","The Journal of Physical Chemistry C","2016","120","36","20277","","10.1021/acs.jpcc.6b06364","","","1.54184","CuKα","","0.034","0.0336","","","0.0917","0.0921","","","","","","1.081","","","","has coordinates","236549","2020-10-21","18:00:00",""
"1554086","6.06","0.002","7.962","0.003","15.135","0.005","97.682","0.006","93.7","0.005","96.533","0.006","716.6","0.4","193","2","193","2","","","","","","","","5","P -1","-P 1","2","","1-(2,2'-bithien-5-yl)-4-(4-fluorophenyl)-1H-1,2,3-triazole","","- C16 H10 F N3 S2 -","- C16 H10 F N3 S2 -","- C32 H20 F2 N6 S4 -","2","1","","Price, Jacquelyn T.; Li, Michelle S. M.; Brazeau, Allison L.; Tao, Danlei; Xiang, Guiming; Chen, Yanhua; McDonald, Robert; Jones, Nathan D.; Ding, Zhifeng","Structural Insight into Electrogenerated Chemiluminescence of Para-Substituted Aryl‒Triazole‒Thienyl Compounds","The Journal of Physical Chemistry C","2016","120","38","21778","","10.1021/acs.jpcc.6b06904","","","0.71073","MoKα","","0.1452","0.0638","","","0.1168","0.1443","","","","","","0.928","","","","has coordinates,has disorder","236551","2020-10-21","18:00:00",""
"1554087","6.0478","0.0009","12.876","0.002","16.732","0.003","90","","90","","90","","1302.9","0.4","193","2","193","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C14 H14 N4 S -","- C14 H14 N4 S -","- C56 H56 N16 S4 -","4","1","","Price, Jacquelyn T.; Li, Michelle S. M.; Brazeau, Allison L.; Tao, Danlei; Xiang, Guiming; Chen, Yanhua; McDonald, Robert; Jones, Nathan D.; Ding, Zhifeng","Structural Insight into Electrogenerated Chemiluminescence of Para-Substituted Aryl‒Triazole‒Thienyl Compounds","The Journal of Physical Chemistry C","2016","120","38","21778","","10.1021/acs.jpcc.6b06904","","","0.71073","MoKα","","0.0684","0.0439","","","0.0813","0.0889","","","","","","1.034","","","","has coordinates","236551","2020-10-21","18:00:00",""
"1554088","31.455","0.005","5.6198","0.0008","23.722","0.003","90","","90","","90","","4193.4","1","193","2","193","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C16 H11 N3 S2 -","- C16 H11 N3 S2 -","- C192 H132 N36 S24 -","12","3","","Price, Jacquelyn T.; Li, Michelle S. M.; Brazeau, Allison L.; Tao, Danlei; Xiang, Guiming; Chen, Yanhua; McDonald, Robert; Jones, Nathan D.; Ding, Zhifeng","Structural Insight into Electrogenerated Chemiluminescence of Para-Substituted Aryl‒Triazole‒Thienyl Compounds","The Journal of Physical Chemistry C","2016","120","38","21778","","10.1021/acs.jpcc.6b06904","","","0.71073","MoKα","","0.0505","0.0403","","","0.0877","0.0929","","","","","","1.028","","","","has coordinates,has disorder","236551","2020-10-21","18:00:00",""
"1554089","7.1982","0.0014","9.042","0.0018","10.639","0.002","93.52","0.03","96.36","0.03","111.59","0.03","636","0.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H26 Cl6 O4 Sb -","- C20 H26 Cl6 O4 Sb -","- C20 H26 Cl6 O4 Sb -","1","0.5","","Navale, Tushar S.; Talipov, Marat R.; Shukla, Ruchi; Rathore, Rajendra","Interplay between Entropy and Enthalpy in (Intramolecular) Cyclophane-Like Folding versus (Intermolecular) Dimerization of Diarylalkane Cation Radicals","The Journal of Physical Chemistry C","2016","120","35","19558","","10.1021/acs.jpcc.6b07006","","","1.54178","CuKα","","0.016","0.016","","","0.0404","0.0404","","","","","","1.053","","","","has coordinates,has disorder","236553","2020-10-21","18:00:00",""
"1554090","7.2231","0.0001","8.1194","0.0001","14.4953","0.0002","90","","91.139","0.001","90","","849.94","0.02","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C20 H26 O4 -","- C20 H26 O4 -","- C40 H52 O8 -","2","0.5","","Navale, Tushar S.; Talipov, Marat R.; Shukla, Ruchi; Rathore, Rajendra","Interplay between Entropy and Enthalpy in (Intramolecular) Cyclophane-Like Folding versus (Intermolecular) Dimerization of Diarylalkane Cation Radicals","The Journal of Physical Chemistry C","2016","120","35","19558","","10.1021/acs.jpcc.6b07006","","","1.54178","CuKα","","0.0296","0.029","","","0.0815","0.0822","","","","","","1.021","","","","has coordinates","236554","2020-10-21","18:00:00",""
"1554157","15.5307","0.0005","15.5307","0.0005","16.582","0.0005","90","","90","","120","","3463.77","0.19","123","","123","","","","","","","","see text","3","R -3 :H","-R 3","148","","","","- C27 H39 Y -","- C27 H39 Y -","- C162 H234 Y6 -","6","0.333333","","Soller, Benedikt S.; Sun, Qian; Salzinger, Stephan; Jandl, Christian; Pöthig, Alexander; Rieger, Bernhard","Ligand Induced Steric Crowding in Rare Earth Metal-Mediated Group Transfer Polymerization of Vinylphosphonates: Does Enthalpy Matter?","Macromolecules","2016","49","5","1582","","10.1021/acs.macromol.5b01937","","x-ray","0.71073","MoKα","","0.0223","0.0217","","","0.0628","0.0632","","","","","","1.137","","","","has coordinates","236696","2020-10-21","18:00:00",""
"1554158","8.2756","0.0004","22.251","0.0012","28.8955","0.0015","90","","90","","90","","5320.8","0.5","123","","123","","","","","","","","see text","4","P b c a","-P 2ac 2ab","61","","","","- C24 H39 Si3 Sm -","- C24 H39 Si3 Sm -","- C192 H312 Si24 Sm8 -","8","1","","Soller, Benedikt S.; Sun, Qian; Salzinger, Stephan; Jandl, Christian; Pöthig, Alexander; Rieger, Bernhard","Ligand Induced Steric Crowding in Rare Earth Metal-Mediated Group Transfer Polymerization of Vinylphosphonates: Does Enthalpy Matter?","Macromolecules","2016","49","5","1582","","10.1021/acs.macromol.5b01937","","x-ray","0.71073","MoKα","","0.0358","0.0253","","","0.052","0.0555","","","","","","1.105","","","","has coordinates","236697","2020-10-21","18:00:00",""
"1554160","8.98","0.0018","12.15","0.002","13.67","0.003","105","0.03","93","0.03","106.6","0.03","1367.7","0.6","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C36 H26 F N2 S -","- C36 H26 F N2 S -","- C72 H52 F2 N4 S2 -","2","1","","Zhong, Wenkai; Liang, Junfei; Hu, Shuzhi; Jiang, Xiao-Fang; Ying, Lei; Huang, Fei; Yang, Wei; Cao, Yong","Effect of Monofluoro Substitution on the Optoelectronic Properties of Benzo[c][1,2,5]thiadiazole Based Organic Semiconductors","Macromolecules","2016","49","16","5806","","10.1021/acs.macromol.6b00185","","","0.71073","MoKα","","0.1468","0.0589","","","0.1392","0.199","","","","","","0.98","","","","has coordinates,has disorder","236701","2020-10-21","18:00:00",""
"1554161","8.91","0.0018","11.88","0.002","13.67","0.003","107.8","0.03","93.2","0.03","102.2","0.03","1335.3","0.6","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C36 H28 N2 S -","- C36 H28 N2 S -","- C72 H56 N4 S2 -","2","1","","Zhong, Wenkai; Liang, Junfei; Hu, Shuzhi; Jiang, Xiao-Fang; Ying, Lei; Huang, Fei; Yang, Wei; Cao, Yong","Effect of Monofluoro Substitution on the Optoelectronic Properties of Benzo[c][1,2,5]thiadiazole Based Organic Semiconductors","Macromolecules","2016","49","16","5806","","10.1021/acs.macromol.6b00185","","","0.71073","MoKα","","0.187","0.0656","","","0.1302","0.1813","","","","","","1.044","","","","has coordinates","236703","2020-10-21","18:00:00",""
"1554162","6.25656","0.0002","20.1295","0.0008","17.8928","0.0006","90","","96.663","0.003","90","","2238.22","0.14","100.01","0.16","100.01","0.16","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H22 Br2 N2 S2 -","- C24 H22 Br2 N2 S2 -","- C96 H88 Br8 N8 S8 -","4","1","","Wang, Tingting; Wang, Hongyan; Li, Guangwu; Li, Mengwei; Bo, Zhishan; Chen, Yulan","Thiophene-Fused 1,10-Phenanthroline and Its Conjugated Polymers","Macromolecules","2016","49","11","4088","","10.1021/acs.macromol.6b00236","","x-ray","1.54184","CuKα","","0.0431","0.0344","","","0.0826","0.0904","","","","","","1.045","","","","has coordinates","236705","2020-10-21","18:00:00",""
"1554163","18.959","","15.531","","16.25","","90","","98.98","","90","","4726.2","","100","2","100","2","","","","","","","","9","P 1 21/c 1","-P 2ybc","14","","","","- C45 H47 F6 N O6 P Pd S2 Sb -","- C45 H47 F6 N O6 P Pd S2 Sb -","- C180 H188 F24 N4 O24 P4 Pd4 S8 Sb4 -","4","1","","Jian, Zhongbao; Mecking, Stefan","Short-Chain Branched Polar-Functionalized Linear Polyethylene via “Tandem Catalysis”","Macromolecules","2016","49","11","4057","","10.1021/acs.macromol.6b00581","","","0.71073","MoKα","","0.0589","0.0419","","","0.0908","0.0966","","","","","","1.042","","","","has coordinates","236706","2020-10-21","18:00:00",""
"1554164","8.5926","0.0016","6.5428","0.0013","20.975","0.004","90","","99.002","0.004","90","","1164.7","0.4","90","2","90","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C28 H30 N O P -","- C28 H30 N O P -","- C56 H60 N2 O2 P2 -","2","1","","Serin, Spencer C.; Dake, Gregory R.; Gates, Derek P.","Addition-Isomerization Polymerization of Chiral Phosphaalkenes: Observation of Styrene‒Phosphaalkene Linkages in a Random Copolymer","Macromolecules","2016","49","11","4067","","10.1021/acs.macromol.6b00667","","x-ray","0.71073","MoKα","","0.0461","0.0382","","","0.0866","0.0904","","","","","","1.022","","","","has coordinates","236709","2020-10-21","18:00:00",""
"1554165","10.369","0.003","10.511","0.003","16.499","0.004","94.563","0.007","96.525","0.006","114.894","0.006","1604.3","0.8","90","2","90","2","","","","","","","","5","P 1","P 1","1","","","","- C37 H48 N O P -","- C37 H48 N O P -","- C74 H96 N2 O2 P2 -","2","2","","Serin, Spencer C.; Dake, Gregory R.; Gates, Derek P.","Addition-Isomerization Polymerization of Chiral Phosphaalkenes: Observation of Styrene‒Phosphaalkene Linkages in a Random Copolymer","Macromolecules","2016","49","11","4067","","10.1021/acs.macromol.6b00667","","x-ray","0.71073","MoKα","","0.0642","0.0467","","","0.1071","0.1161","","","","","","1.019","","","","has coordinates,has disorder","236710","2020-10-21","18:00:00",""
"1554166","19.029","0.005","25.005","0.005","19.75","","90","","105.62","","90","","9050","3","244","60","244","60","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C68 H76.4 Mn6 N8 O27.2 Si2 -","- C68 H76.4 Mn6 N8 O27.2 Si2 -","- C272 H305.6 Mn24 N32 O108.8 Si8 -","4","1","","Zaltariov, Mirela-Fernanda; Cazacu, Maria; Sacarescu, Liviu; Vlad, Angelica; Novitchi, Ghenadie; Train, Cyrille; Shova, Sergiu; Arion, Vladimir B.","Oxime-Bridged Mn6 Clusters Inserted in One-Dimensional Coordination Polymer","Macromolecules","2016","49","17","6163","","10.1021/acs.macromol.6b01149","","","0.71073","MoKα","","0.2381","0.1067","","","0.2343","0.3069","","","","","","1.001","","","","has coordinates,has disorder","236712","2020-10-21","18:00:00",""
"1554167","13.7997","0.0005","10.1592","0.0004","19.6502","0.0007","90","","93.2918","0.0017","90","","2750.29","0.18","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C30 H36 Fe2 O4 Si -","- C30 H36 Fe2 O4 Si -","- C120 H144 Fe8 O16 Si4 -","4","1","","Chen, Jiawei; Gowda, Ravikumar R.; He, Jianghua; Zhang, Yuetao; Chen, Eugene Y.-X.","Controlled or High-Speed Group Transfer Polymerization by Silyl Ketene Acetals without Catalyst","Macromolecules","2016","49","21","8075","","10.1021/acs.macromol.6b01654","","","0.71073","MoKα","","0.0648","0.0463","","","0.1255","0.1378","","","","","","1.036","","","","has coordinates","236714","2020-10-21","18:00:00",""
"1555479","11.5512","0.0017","7.5173","0.0011","22.879","0.003","90","","91.554","0.004","90","","1985.9","0.5","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C24 H8 Br2 N2 -","- C24 H18 Br2 N2 -","- C96 H72 Br8 N8 -","4","1","","Min, Lijun; Pan, Bin; Gu, Yanlong","Synthesis of Quinoline-Fused 1-Benzazepines through a Mannich-Type Reaction of a C,N-Bisnucleophile Generated from 2-Aminobenzaldehyde and 2-Methylindole.","Organic letters","2016","18","3","364","367","10.1021/acs.orglett.5b03287","","","0.71073","MoKα","","0.1359","0.0835","","","0.1416","0.1596","","","","","","1.139","","","","has coordinates","238760","2020-10-21","18:00:00",""
"1555484","28.26","0.017","11.505","0.008","11.128","0.008","90","","90","","90","","3618","4","293","","293","2","","","","","","","see text","5","P b c a","-P 2ac 2ab","61","","","","- C16 H24 N3 O3 P -","- C16 H24 N3 O3 P -","- C128 H192 N24 O24 P8 -","8","1","","Ahamad, Shakir; Kant, Ruchir; Mohanan, Kishor","Metal-Free Three-Component Domino Approach to Phosphonylated Triazolines and Triazoles.","Organic letters","2016","18","2","280","283","10.1021/acs.orglett.5b03437","","","0.71075","MoKα","","0.1783","0.0901","","","0.238","0.3076","","","","","","0.908","","","","has coordinates","238770","2020-10-21","18:00:00",""
"1555485","17.7894","0.0015","18.2676","0.0016","5.7336","0.0006","90","","90","","90","","1863.2","0.3","298","2","298","2","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C22 H13 Cl F N3 O S -","- C22 H13 Cl F N3 O S -","- C88 H52 Cl4 F4 N12 O4 S4 -","4","1","","Fan, Wei; Li, Qun; Li, Yanrong; Sun, Hao; Jiang, Bo; Li, Guigen","I2/O2-Enabled N-S Bond Formation to Access Functionalized 1,2,3-Thiadiazoles.","Organic letters","2016","18","6","1258","1261","10.1021/acs.orglett.6b00079","","","0.71073","MoKα","","0.073","0.0442","","","0.0708","0.0776","","","","","","1.012","","","","has coordinates","238773","2020-10-21","18:00:00",""
"1555486","8.4976","0.0004","11.7441","0.0005","20.5928","0.001","80.687","0.003","83.765","0.003","78.031","0.003","1977.91","0.16","123","","123","","","","","","","","","5","P -1","-P 1","2","","","","- C25 H19.78 N3 O2.39 Pd -","- C25 H19.775 N3 O2.3875 Pd -","- C100 H79.1 N12 O9.55 Pd4 -","4","2","","Wiest, Johannes M.; Pöthig, Alexander; Bach, Thorsten","Pyrrole as a Directing Group: Regioselective Pd(II)-Catalyzed Alkylation and Benzylation at the Benzene Core of 2-Phenylpyrroles.","Organic letters","2016","18","4","852","855","10.1021/acs.orglett.6b00141","","x-ray","0.71073","MoKα","","0.0557","0.0351","","","0.069","0.0772","","","","","","1.021","","","","has coordinates","279649","2022-11-30","18:17:27",""
"1555487","14.6593","0.001","7.8044","0.0006","27.406","0.002","90","","90","","90","","3135.4","0.4","100","1","100","1","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C20 H21 N O2 -","- C20 H21 N O2 -","- C160 H168 N8 O16 -","8","1","","Nandi, Raj Kumar; Guillot, Régis; Kouklovsky, Cyrille; Vincent, Guillaume","Synthesis of 3,3-Spiroindolines via FeCl3-Mediated Cyclization of Aryl- or Alkene-Containing 3-Substituted N-Ac Indoles.","Organic letters","2016","18","8","1716","1719","10.1021/acs.orglett.6b00174","","x-ray","0.71073","MoKα","","0.0998","0.0474","","","0.1006","0.1211","","","","","","1.022","","","","has coordinates","238778","2020-10-21","18:00:00",""
"1555488","8.6142","0.0004","9.0565","0.0004","18.42","0.0008","90","","103.352","0.002","90","","1398.18","0.11","100","1","100","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C17 H17 N O S -","- C17 H17 N O S -","- C68 H68 N4 O4 S4 -","4","1","","Nandi, Raj Kumar; Guillot, Régis; Kouklovsky, Cyrille; Vincent, Guillaume","Synthesis of 3,3-Spiroindolines via FeCl3-Mediated Cyclization of Aryl- or Alkene-Containing 3-Substituted N-Ac Indoles.","Organic letters","2016","18","8","1716","1719","10.1021/acs.orglett.6b00174","","x-ray","0.71073","MoKα","","0.0849","0.0627","","","0.1667","0.1796","","","","","","1.044","","","","has coordinates,has disorder","238780","2020-10-21","18:00:00",""
"1555489","14.5023","0.0012","8.2306","0.0006","20.0369","0.0016","90","","98.744","0.003","90","","2363.9","0.3","100","1","100","1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C15 H17 N O -","- C15 H17 N O -","- C120 H136 N8 O8 -","8","2","","Nandi, Raj Kumar; Guillot, Régis; Kouklovsky, Cyrille; Vincent, Guillaume","Synthesis of 3,3-Spiroindolines via FeCl3-Mediated Cyclization of Aryl- or Alkene-Containing 3-Substituted N-Ac Indoles.","Organic letters","2016","18","8","1716","1719","10.1021/acs.orglett.6b00174","","","0.71073","MoKα","","0.123","0.1182","","","0.243","0.2451","","","","","","1.262","","","","has coordinates,has disorder","238782","2020-10-21","18:00:00",""
"1555490","13.21","0.0007","7.8624","0.0004","27.4014","0.0014","90","","90","","90","","2846","0.3","100","1","100","1","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C19 H19 N O -","- C19 H19 N O -","- C152 H152 N8 O8 -","8","1","","Nandi, Raj Kumar; Guillot, Régis; Kouklovsky, Cyrille; Vincent, Guillaume","Synthesis of 3,3-Spiroindolines via FeCl3-Mediated Cyclization of Aryl- or Alkene-Containing 3-Substituted N-Ac Indoles.","Organic letters","2016","18","8","1716","1719","10.1021/acs.orglett.6b00174","","x-ray","0.71073","MoKα","","0.0634","0.0473","","","0.1077","0.115","","","","","","1.039","","","","has coordinates","238784","2020-10-21","18:00:00",""
"1555491","9.523","0.0001","9.6405","0.0017","11.7824","0.0003","83.18","0.04","76.85","0.03","71.05","0.04","995.1","0.3","123","2","123","2","","","","","","","synthesis as described","5","P -1","-P 1","2","","","","- C23 H29 N O4 S -","- C23 H29 N O4 S -","- C46 H58 N2 O8 S2 -","2","1","","Murai, Kenichi; Matsuura, Kei; Aoyama, Hiroshi; Fujioka, Hiromichi","Oxidative Rearrangement via in Situ Generated N-Chloroamine: Synthesis of Fused Tetrahydroisoquinolines.","Organic letters","2016","18","6","1314","1317","10.1021/acs.orglett.6b00233","","x-ray","0.71073","MoKα","","0.0863","0.0555","","","0.1198","0.1397","","","","","","1.037","","","","has coordinates","238786","2020-10-21","18:00:00",""
"1555492","8.6512","0.0006","13.1178","0.0007","13.2085","0.0009","94.755","0.005","97.921","0.006","102.375","0.005","1440.34","0.17","291","2","291.15","","","","","","","","","4","P -1","-P 1","2","","","","- C16 H17 N3 O3 -","- C16 H17 N3 O3 -","- C64 H68 N12 O12 -","4","2","","Zhang, Lin-Bao; Zhang, Shou-Kun; Wei, Donghui; Zhu, Xinju; Hao, Xin-Qi; Su, Jian-Hang; Niu, Jun-Long; Song, Mao-Ping","Cobalt(II)-Catalyzed C-H Amination of Arenes with Simple Alkylamines.","Organic letters","2016","18","6","1318","1321","10.1021/acs.orglett.6b00241","","","1.54184","CuKα","","0.054","0.0417","","","0.1134","0.1241","","","","","","1.03","","","","has coordinates","238788","2020-10-21","18:00:00",""
"1555493","6.0723","0.0012","8.6709","0.0017","14.006","0.003","75.45","0.03","78.72","0.03","70.16","0.03","666.5","0.3","100","","100","","","","","","","","","3","P -1","-P 1","2","","","","- C17 H21 N -","- C17 H21 N -","- C34 H42 N2 -","2","1","","Schweighauser, Luca; Bodoky, Ina; Kessler, Simon N.; Häussinger, Daniel; Donsbach, Carsten; Wegner, Hermann A.","Bidentate Lewis Acid Catalyzed Domino Diels-Alder Reaction of Phthalazine for the Synthesis of Bridged Oligocyclic Tetrahydronaphthalenes.","Organic letters","2016","18","6","1330","1333","10.1021/acs.orglett.6b00276","","","0.71073","MoKα","","0.0654","0.0405","","","0.0941","0.1035","","","","","","0.885","","","","has coordinates","238791","2020-10-21","18:00:00",""
"1555494","19.714","0.004","6.3466","0.0013","16.045","0.003","90","","90.8","0.03","90","","2007.3","0.7","100","","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H33 N O6 -","- C19 H33 N O6 -","- C76 H132 N4 O24 -","4","1","","Schweighauser, Luca; Bodoky, Ina; Kessler, Simon N.; Häussinger, Daniel; Donsbach, Carsten; Wegner, Hermann A.","Bidentate Lewis Acid Catalyzed Domino Diels-Alder Reaction of Phthalazine for the Synthesis of Bridged Oligocyclic Tetrahydronaphthalenes.","Organic letters","2016","18","6","1330","1333","10.1021/acs.orglett.6b00276","","","0.71073","MoKα","","0.1195","0.0668","","","0.1404","0.1632","","","","","","0.953","","","","has coordinates","238791","2020-10-21","18:00:00",""
"1555495","12.8376","0.0005","12.9227","0.0006","14.0967","0.0005","90","","90","","90","","2338.59","0.16","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C24 H22 Br N3 O5.5 -","- C24 H22 Br N3 O5.5 -","- C96 H88 Br4 N12 O22 -","4","1","","Kumarswamyreddy, Nandarapu; Kesavan, Venkitasamy","Enantioselective Synthesis of Dihydrospiro[indoline-3,4'-pyrano[2,3-c]pyrazole] Derivatives via Michael/Hemiketalization Reaction.","Organic letters","2016","18","6","1354","1357","10.1021/acs.orglett.6b00287","","","0.71073","MoKα","","0.0902","0.0379","","","0.0952","0.1161","","","","","","1.022","","","","has coordinates,has disorder","238793","2020-10-21","18:00:00",""
"1555496","9.56524","0.00007","18.64102","0.00014","22.57118","0.00018","90","","90","","90","","4024.57","0.05","170","2","170","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C25 H22 F N O2 -","- C25 H22 F N O2 -","- C200 H176 F8 N8 O16 -","8","2","","Ošeka, Maksim; Kimm, Mariliis; Kaabel, Sandra; Järving, Ivar; Rissanen, Kari; Kanger, Tõnis","Asymmetric Organocatalytic Wittig [2,3]-Rearrangement of Oxindoles.","Organic letters","2016","18","6","1358","1361","10.1021/acs.orglett.6b00291","","x-ray","1.54184","CuKα","","0.0284","0.0281","","","0.0741","0.0744","","","","","","1.039","","","","has coordinates","238795","2020-10-21","18:00:00",""
"1555497","10.8203","0.0002","8.0501","0.0001","11.8593","0.0002","90","","90.3984","0.001","90","","1032.97","0.03","170","2","170","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C25 H22 Cl N O2 -","- C25 H22 Cl N O2 -","- C50 H44 Cl2 N2 O4 -","2","1","","Ošeka, Maksim; Kimm, Mariliis; Kaabel, Sandra; Järving, Ivar; Rissanen, Kari; Kanger, Tõnis","Asymmetric Organocatalytic Wittig [2,3]-Rearrangement of Oxindoles.","Organic letters","2016","18","6","1358","1361","10.1021/acs.orglett.6b00291","","x-ray","0.71073","MoKα","","0.0528","0.0387","","","0.0846","0.0912","","","","","","1.028","","","","has coordinates","238797","2020-10-21","18:00:00",""
"1555498","9.8983","0.0007","28.293","0.002","24.5786","0.0019","90","","96.552","0.007","90","","6838.3","0.9","100","0.1","100","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C88 H89 B3 N6 -","- C88 H89 B3 N6 -","- C352 H356 B12 N24 -","4","1","","Qiu, Feng; Zhang, Fan; Tang, Ruizhi; Fu, Yubin; Wang, Xinyang; Han, Sheng; Zhuang, Xiaodong; Feng, Xinliang","Triple Boron-Cored Chromophores Bearing Discotic 5,11,17-Triazatrinaphthylene-Based Ligands.","Organic letters","2016","18","6","1398","1401","10.1021/acs.orglett.6b00335","","x-ray","0.71","MoKα","","0.1608","0.084","","","0.2031","0.2903","","","","","","1.018","","","","has coordinates,has disorder","238799","2020-10-21","18:00:00",""
"1555499","16.672","0.004","6.7638","0.0015","37.518","0.008","90","","99.692","0.007","90","","4170.4","1.6","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C45 H51 B3 F6 N6 -","- C45 H51 B3 F6 N6 -","- C180 H204 B12 F24 N24 -","4","1","","Qiu, Feng; Zhang, Fan; Tang, Ruizhi; Fu, Yubin; Wang, Xinyang; Han, Sheng; Zhuang, Xiaodong; Feng, Xinliang","Triple Boron-Cored Chromophores Bearing Discotic 5,11,17-Triazatrinaphthylene-Based Ligands.","Organic letters","2016","18","6","1398","1401","10.1021/acs.orglett.6b00335","","","0.71073","MoKα","","0.1755","0.1","","","0.2669","0.3101","","","","","","1.042","","","","has coordinates,has disorder","238801","2020-10-21","18:00:00",""
"1555500","6.43415","0.00009","13.9695","0.0002","18.8234","0.0002","90","","90","","90","","1691.88","0.04","173","2","173.15","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C19 H26 O3 -","- C19 H26 O3 -","- C76 H104 O12 -","4","1","","Lin, Han; Xiao, Li-Jun; Zhou, Min-Jie; Yu, Hong-Ming; Xie, Jian-Hua; Zhou, Qi-Lin","Enantioselective Approach to (-)-Hamigeran B and (-)-4-Bromohamigeran B via Catalytic Asymmetric Hydrogenation of Racemic Ketone To Assemble the Chiral Core Framework.","Organic letters","2016","18","6","1434","1437","10.1021/acs.orglett.6b00369","","x-ray","1.54184","CuKα","","0.0322","0.0321","","","0.0848","0.085","","","","","","1.041","","","","has coordinates","238804","2020-10-21","18:00:00",""
"1555501","13.364","0.004","7.917","0.003","21.513","0.006","90","","127.54","0.018","90","","1804.8","1.1","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C20 H20 O7 -","- C20 H20 O7 -","- C80 H80 O28 -","4","1","","More, Atul A.; Ramana, Chepuri V.","Total Synthesis of Integrastatin B Enabled by a Benzofuran Oxidative Dearomatization Cascade.","Organic letters","2016","18","6","1458","1461","10.1021/acs.orglett.6b00404","","","0.71073","MoKα","","0.1387","0.094","","","0.1863","0.2077","","","","","","1.11","","","","has coordinates","238806","2020-10-21","18:00:00",""
"1555502","11.9383","0.0008","10.2634","0.0006","15.2907","0.0009","90","","97.621","0.003","90","","1857","0.2","200","2","200","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C21 H24 O6 -","- C21 H24 O6 -","- C84 H96 O24 -","4","1","","More, Atul A.; Ramana, Chepuri V.","Total Synthesis of Integrastatin B Enabled by a Benzofuran Oxidative Dearomatization Cascade.","Organic letters","2016","18","6","1458","1461","10.1021/acs.orglett.6b00404","","","0.71073","MoKα","","0.0377","0.0348","","","0.0935","0.0965","","","","","","1.045","","","","has coordinates","238808","2020-10-21","18:00:00",""
"1555503","7.2646","0.0007","8.0955","0.0008","8.184","0.0009","90.831","0.006","97.639","0.006","93.425","0.006","476.06","0.08","296","2","296","2","","","","","","","","3","P -1","-P 1","2","","","","- C11 H12 O3 -","- C11 H12 O3 -","- C22 H24 O6 -","2","1","","More, Atul A.; Ramana, Chepuri V.","Total Synthesis of Integrastatin B Enabled by a Benzofuran Oxidative Dearomatization Cascade.","Organic letters","2016","18","6","1458","1461","10.1021/acs.orglett.6b00404","","","0.71073","MoKα","","0.0409","0.0373","","","0.1039","0.1078","","","","","","1.07","","","","has coordinates","238809","2020-10-21","18:00:00",""
"1555504","25.162","0.005","15.406","0.003","16.174","0.004","90","","109.269","0.003","90","","5919","2","296","2","296.15","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C33 H37 Cl N2 O6 -","- C33 H37 Cl N2 O6 -","- C264 H296 Cl8 N16 O48 -","8","1","","Di Maso, Michael J.; Nepomuceno, Gabriella M.; St Peter, Michael A.; Gitre, Haley H.; Martin, Kevin S.; Shaw, Jared T.","Synthesis of (±)-Bisavenanthramide B-6 by an Anionic Anhydride Mannich Reaction.","Organic letters","2016","18","8","1740","1743","10.1021/acs.orglett.6b00413","","","0.71073","MoKα","","0.0371","0.035","","","0.0932","0.0953","","","","","","1.047","","","","has coordinates","238811","2020-10-21","18:00:00",""
"1555505","18.0825","0.0003","18.5554","0.0003","56.7015","0.001","90","","90","","90","","19024.9","0.6","296","","296","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C164 H260 N4 O75 S3 -","- C164 H260 N4 O75 S3 -","- C656 H1040 N16 O300 S12 -","4","1","","Inouye, Masahiko; Yoshizawa, Atsushi; Shibata, Mari; Yonenaga, Yuki; Fujimoto, Kazuhisa; Sakata, Takuma; Matsumoto, Shinya; Shiro, Motoo","Cyclodextrin-Isolated Alkynylpyrenes as UV-Stable and Blue-Light-Emitting Molecules Even in Condensed States.","Organic letters","2016","18","9","1960","1963","10.1021/acs.orglett.6b00420","","","1.54187","CuKα","","0.1086","0.0997","","","0.2617","0.2703","","","","","","1.021","","","","has coordinates,has disorder","238813","2020-10-21","18:00:00",""
"1555506","10.2913","0.0007","7.9908","0.0004","13.7239","0.0009","90","","97.986","0.002","90","","1117.65","0.12","243","2","243","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C13 H18 O1.5 -","- C13 H18 O1.5 -","- C52 H72 O6 -","4","2","","Kakde, Badrinath N.; Kumar, Nivesh; Mondal, Pradip Kumar; Bisai, Alakesh","Approach to Merosesquiterpenes via Lewis Acid Catalyzed Nazarov-Type Cyclization: Total Synthesis of Akaol A.","Organic letters","2016","18","8","1752","1755","10.1021/acs.orglett.6b00446","","","0.71073","MoKα","","0.1011","0.0666","","","0.1499","0.1689","","","","","","1.02","","","","has coordinates","238815","2020-10-21","18:00:00",""
"1555507","10.3364","0.0004","8.2959","0.0003","12.9455","0.0006","90","","96.995","0.001","90","","1101.81","0.08","114","2","114","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C26 H38 O3 -","- C26 H38 O3 -","- C52 H76 O6 -","2","1","","Kakde, Badrinath N.; Kumar, Nivesh; Mondal, Pradip Kumar; Bisai, Alakesh","Approach to Merosesquiterpenes via Lewis Acid Catalyzed Nazarov-Type Cyclization: Total Synthesis of Akaol A.","Organic letters","2016","18","8","1752","1755","10.1021/acs.orglett.6b00446","","","0.71073","MoKα","","0.039","0.0368","","","0.0922","0.0938","","","","","","1.033","","","","has coordinates","238816","2020-10-21","18:00:00",""
"1555508","12.4616","0.0014","7.5556","0.0008","17.8282","0.0019","90","","109.236","0.002","90","","1584.9","0.3","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C18 H21 N O5 -","- C18 H21 N O5 -","- C72 H84 N4 O20 -","4","1","","Raja, Arun; Hong, Bor-Cherng; Liao, Ju-Hsiou; Lee, Gene-Hsiang","Organocatalytic Enantioselective Michael-Michael-Henry Reaction Cascade. An Entry to Highly Functionalized Hajos-Parrish-Type Ketones with Five to Six Contiguous Stereogenic Centers and Two Quaternary Carbons.","Organic letters","2016","18","8","1760","1763","10.1021/acs.orglett.6b00459","","","0.71073","MoKα","","0.0562","0.0465","","","0.1278","0.1389","","","","","","1.081","","","","has coordinates","238818","2020-10-21","18:00:00",""
"1555509","6.891","0.002","11.883","0.004","20.413","0.007","90","","90","","90","","1671.5","0.9","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C17 H18 Cl N O5 -","- C17 H18 Cl N O5 -","- C68 H72 Cl4 N4 O20 -","4","1","","Raja, Arun; Hong, Bor-Cherng; Liao, Ju-Hsiou; Lee, Gene-Hsiang","Organocatalytic Enantioselective Michael-Michael-Henry Reaction Cascade. An Entry to Highly Functionalized Hajos-Parrish-Type Ketones with Five to Six Contiguous Stereogenic Centers and Two Quaternary Carbons.","Organic letters","2016","18","8","1760","1763","10.1021/acs.orglett.6b00459","","","0.71073","MoKα","","0.0411","0.0365","","","0.0976","0.1119","","","","","","1.207","","","","has coordinates","238820","2020-10-21","18:00:00",""
"1555510","16.5186","0.0017","6.7973","0.0007","17.4934","0.0018","90","","97.222","0.002","90","","1948.6","0.3","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C23 H23 N O5 -","- C23 H23 N O5 -","- C92 H92 N4 O20 -","4","1","","Raja, Arun; Hong, Bor-Cherng; Liao, Ju-Hsiou; Lee, Gene-Hsiang","Organocatalytic Enantioselective Michael-Michael-Henry Reaction Cascade. An Entry to Highly Functionalized Hajos-Parrish-Type Ketones with Five to Six Contiguous Stereogenic Centers and Two Quaternary Carbons.","Organic letters","2016","18","8","1760","1763","10.1021/acs.orglett.6b00459","","","0.71073","MoKα","","0.0656","0.0595","","","0.163","0.1719","","","","","","1.18","","","","has coordinates","238821","2020-10-21","18:00:00",""
"1555511","7.7825","0.0004","12.1682","0.0007","16.9656","0.0009","90","","90","","90","","1606.63","0.15","200","2","200","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C17 H19 N O5 -","- C17 H19 N O5 -","- C68 H76 N4 O20 -","4","1","","Raja, Arun; Hong, Bor-Cherng; Liao, Ju-Hsiou; Lee, Gene-Hsiang","Organocatalytic Enantioselective Michael-Michael-Henry Reaction Cascade. An Entry to Highly Functionalized Hajos-Parrish-Type Ketones with Five to Six Contiguous Stereogenic Centers and Two Quaternary Carbons.","Organic letters","2016","18","8","1760","1763","10.1021/acs.orglett.6b00459","","","0.71073","MoKα","","0.0562","0.0475","","","0.1069","0.1116","","","","","","1.049","","","","has coordinates","238824","2020-10-21","18:00:00",""
"1555512","11.3945","0.0008","16.435","0.0011","12.4553","0.0008","90","","107.236","0.0013","90","","2227.7","0.3","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H22 N3 O2 P -","- C26 H20 N3 O2 P -","- C104 H80 N12 O8 P4 -","4","1","","Zheng, Jing; Zhang, Yan; Wang, Dahai; Cui, Sunliang","Silver(I)-Mediated Phosphorylation/Cyclization Cascade of N-Cyanamide Alkenes for Divergent Access to Quinazolinones and Dihydroisoquinolinones.","Organic letters","2016","18","8","1768","1771","10.1021/acs.orglett.6b00481","","","0.71073","MoKα","","0.0856","0.0495","","","0.1141","0.1336","","","","","","0.94","","","","has coordinates","238825","2020-10-21","18:00:00",""
"1555513","10.704","0.0007","21.3272","0.0011","11.2625","0.0006","90","","120.672","0.004","90","","2211.4","0.2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H22 N3 O2 P -","- C26 H22 N3 O2 P -","- C104 H88 N12 O8 P4 -","4","1","","Zheng, Jing; Zhang, Yan; Wang, Dahai; Cui, Sunliang","Silver(I)-Mediated Phosphorylation/Cyclization Cascade of N-Cyanamide Alkenes for Divergent Access to Quinazolinones and Dihydroisoquinolinones.","Organic letters","2016","18","8","1768","1771","10.1021/acs.orglett.6b00481","","","0.71073","MoKα","","0.051","0.0422","","","0.0994","0.1052","","","","","","1.02","","","","has coordinates","238827","2020-10-21","18:00:00",""
"1555514","15.5552","0.001","15.6415","0.001","8.1031","0.0007","90","","94.596","0.007","90","","1965.2","0.2","173","","173","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C21 H28 O4 -","- C21 H28 O4 -","- C84 H112 O16 -","4","1","","Elliott, Daniel C.; Ma, Tsz-Kan; Selmani, Aymane; Cookson, Rosa; Parsons, Philip J.; Barrett, Anthony G. M.","Sequential Ketene Generation from Dioxane-4,6-dione-keto-dioxinones for the Synthesis of Terpenoid Resorcylates.","Organic letters","2016","18","8","1800","1803","10.1021/acs.orglett.6b00533","","","0.71073","MoKα","","0.1377","0.0751","","","0.1638","0.2066","","","","","","1.002","","","","has coordinates","238829","2020-10-21","18:00:00",""
"1555515","12.568","0.009","7.479","0.005","17.461","0.012","90","","108.353","0.008","90","","1557.8","1.9","150","","150.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H16 Cl N O2 -","- C19 H16 Cl N O2 -","- C76 H64 Cl4 N4 O8 -","4","1","","Kotha, Sambasivarao; Aswar, Vikas R.","Target Specific Tactics in Olefin Metathesis: Synthetic Approach to cis-syn-cis-Triquinanes and -Propellanes.","Organic letters","2016","18","8","1808","1811","10.1021/acs.orglett.6b00537","","","0.7107","MoKα","","0.0906","0.0699","","","0.188","0.203","","","","","","1.151","","","","has coordinates","238831","2020-10-21","18:00:00",""
"1555516","8.206","0.007","8.581","0.007","10.584","0.009","90.785","0.009","100.066","0.012","104.431","0.012","709.4","1","150","","150","","","","","","","","","4","P -1","-P 1","2","","","","- C19 H17 N O2 -","- C19 H17 N O2 -","- C38 H34 N2 O4 -","2","1","","Kotha, Sambasivarao; Aswar, Vikas R.","Target Specific Tactics in Olefin Metathesis: Synthetic Approach to cis-syn-cis-Triquinanes and -Propellanes.","Organic letters","2016","18","8","1808","1811","10.1021/acs.orglett.6b00537","","","0.7107","MoKα","","","0.0726","","","","0.1904","","","","","","1.049","","","","has coordinates","238833","2020-10-21","18:00:00",""
"1555517","29.475","0.011","29.475","0.011","7.245","0.004","90","","90","","120","","5451","4","295","2","295","2","","","","","","","","3","R -3 :H","-R 3","148","","","","- C15 H16 O3 -","- C15 H16 O3 -","- C270 H288 O54 -","18","1","","Li, Xiaoyu; Liu, Xiaoyu; Jiao, Xiaozhen; Yang, Hongguang; Yao, Yangyang; Xie, Ping","An approach to (±)-Lingzhiol.","Organic letters","2016","18","8","1944","1946","10.1021/acs.orglett.6b00542","","","1.54178","CuKα","","0.0545","0.0431","","","0.1091","0.1234","","","","","","1.086","","","","has coordinates","238835","2020-10-21","18:00:00",""
"1555518","6.613","0.005","28.29","0.012","8.886","0.004","90","","103.404","0.01","90","","1617.1","1.6","295","2","295","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C18 H22 O5 -","- C18 H22 O5 -","- C72 H88 O20 -","4","1","","Li, Xiaoyu; Liu, Xiaoyu; Jiao, Xiaozhen; Yang, Hongguang; Yao, Yangyang; Xie, Ping","An approach to (±)-Lingzhiol.","Organic letters","2016","18","8","1944","1946","10.1021/acs.orglett.6b00542","","","1.54178","CuKα","","0.0576","0.052","","","0.1429","0.1519","","","","","","1.068","","","","has coordinates","238836","2020-10-21","18:00:00",""
"1555519","10.4382","0.0006","24.2507","0.0011","10.9589","0.0005","90","","95.0262","0.0018","90","","2763.4","0.2","293","","293","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C13 H15 Br Cl N O2 -","- C13 H15 Br Cl N O2 -","- C104 H120 Br8 Cl8 N8 O16 -","8","2","","Wang, Mengzhou; Zhang, Yanyan; Wang, Tao; Wang, Chao; Xue, Dong; Xiao, Jianliang","Story of an Age-Old Reagent: An Electrophilic Chlorination of Arenes and Heterocycles by 1-Chloro-1,2-benziodoxol-3-one.","Organic letters","2016","18","9","1976","1979","10.1021/acs.orglett.6b00547","","x-ray","0.71073","MoKα","","0.0508","0.039","","","0.0973","0.1042","","","","","","1.02","","","","has coordinates","238838","2020-10-21","18:00:00",""
"1555520","9.8146","0.0003","3.9248","0.0001","20.553","0.0006","90","","103.021","0.001","90","","771.35","0.04","153","","153.01","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C9 H7 Cl N2 -","- C9 H7 Cl N2 -","- C36 H28 Cl4 N8 -","4","1","","Wang, Mengzhou; Zhang, Yanyan; Wang, Tao; Wang, Chao; Xue, Dong; Xiao, Jianliang","Story of an Age-Old Reagent: An Electrophilic Chlorination of Arenes and Heterocycles by 1-Chloro-1,2-benziodoxol-3-one.","Organic letters","2016","18","9","1976","1979","10.1021/acs.orglett.6b00547","","","0.71073","MoKα","","0.0421","0.0371","","","0.103","0.106","","","","","","1.093","","","","has coordinates","238840","2020-10-21","18:00:00",""
"1555521","7.8577","0.0006","14.9042","0.0008","9.3787","0.0007","90","","113.529","0.009","90","","1007.05","0.14","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C23 H16 F2 N4 O2 -","- C23 H16 F2 N4 O2 -","- C46 H32 F4 N8 O4 -","2","1","","Qiao, Jin-Bao; Zhao, Yu-Ming; Gu, Peiming","Asymmetric Intramolecular Desymmetrization of meso-α,α'-Diazido Alcohols with Aryldiazoacetates: Assembly of Chiral C3 Fragments with Three Continuous Stereocenters.","Organic letters","2016","18","9","1984","1987","10.1021/acs.orglett.6b00570","","x-ray","1.54184","CuKα","","0.0362","0.0319","","","0.0763","0.08","","","","","","1.046","","","","has coordinates","238842","2020-10-21","18:00:00",""
"1555522","6.433","0.002","7.542","0.003","15.771","0.006","90.874","0.006","95.675","0.007","109.593","0.008","716.4","0.5","90","2","90","2","","","","","","","","4","P -1","-P 1","2","","","","- C15 H21 N3 O3 -","- C15 H21 N3 O3 -","- C30 H42 N6 O6 -","2","1","","Mehr, S Hessam M; Patrick, Brian O.; MacLachlan, Mark J.","Stabilization of a Strained Heteroradialene by Peripheral Electron Delocalization.","Organic letters","2016","18","8","1840","1843","10.1021/acs.orglett.6b00577","","x-ray","0.71073","MoKα","","0.0645","0.0516","","","0.1365","0.1443","","","","","","1.05","","","","has coordinates","238844","2020-10-21","18:00:00",""
"1555523","13.3762","0.0008","9.6596","0.0006","13.4588","0.0008","90","","93.8818","0.001","90","","1735.01","0.18","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C17 H25 Cl F N O -","- C17 H25 Cl F N O -","- C68 H100 Cl4 F4 N4 O4 -","4","1","","Hamel, Jean-Denys; Cloutier, Mélissa; Paquin, Jean-François","Exploiting a Difference in Leaving Group Ability: An Approach to β-Substituted Monofluoroalkenes Using gem-Chlorofluoropropenes.","Organic letters","2016","18","8","1852","1855","10.1021/acs.orglett.6b00590","","","0.71073","MoKα","","0.0384","0.032","","","0.0832","0.0887","","","","","","1.0425","","","","has coordinates","238846","2020-10-21","18:00:00",""
"1555524","6.4855","0.0007","7.5481","0.0006","13.9074","0.0011","90","","95.824","0.009","90","","677.3","0.11","180","0.1","180","0.1","","","","","","","","2","P 1 21 1","P 2yb","4","","","","- C20 H14 -","- C20 H14 -","- C40 H28 -","2","1","","Zhou, Yujing; Ye, Fei; Zhou, Qi; Zhang, Yan; Wang, Jianbo","Cu(I)-Catalyzed Tandem Reaction of Carbene Coupling and Horner-Wadsworth-Emmons Type Olefination: Access toward Enynes.","Organic letters","2016","18","9","2024","2027","10.1021/acs.orglett.6b00631","","","0.71073","MoKα","","0.0645","0.0466","","","0.0963","0.1096","","","","","","1.13","","","","has coordinates","238848","2020-10-21","18:00:00",""
"1555525","11.2183","0.0014","17.958","0.002","25.733","0.002","90","","90","","90","","5184.1","1","173.15","","173.15","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C23 H39 N O3 S Si -","- C23 H39 N O3 S Si -","- C184 H312 N8 O24 S8 Si8 -","8","2","","Xu, Bing; Li, Guang; Li, Jing; Shi, Yian","Total Synthesis of the Proposed Structure of Marineosin A.","Organic letters","2016","18","9","2028","2031","10.1021/acs.orglett.6b00632","","","0.71073","MoKα","","0.0469","0.0444","","","0.0988","0.101","","","","","","1.048","","","","has coordinates","238850","2020-10-21","18:00:00",""
"1555526","8.174","0.003","12.797","0.005","21.823","0.008","90","","90","","90","","2282.7","1.5","173.15","","173.15","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C25 H37 N3 O3 -","- C25 H37 N3 O3 -","- C100 H148 N12 O12 -","4","1","","Xu, Bing; Li, Guang; Li, Jing; Shi, Yian","Total Synthesis of the Proposed Structure of Marineosin A.","Organic letters","2016","18","9","2028","2031","10.1021/acs.orglett.6b00632","","","0.71073","MoKα","","0.0677","0.0595","","","0.1051","0.1086","","","","","","1.133","","","","has coordinates","238851","2020-10-21","18:00:00",""
"1555527","11.42","0.0006","19.1624","0.001","9.3685","0.0009","90","","90","","90","","2050.2","0.2","173.15","","173.15","","","","","","","","","4","P 21 21 2","P 2 2ab","18","","","","- C21 H33 N O5 -","- C21 H33 N O5 -","- C84 H132 N4 O20 -","4","1","","Xu, Bing; Li, Guang; Li, Jing; Shi, Yian","Total Synthesis of the Proposed Structure of Marineosin A.","Organic letters","2016","18","9","2028","2031","10.1021/acs.orglett.6b00632","","","0.71073","MoKα","","0.0407","0.04","","","0.0987","0.0994","","","","","","1.113","","","","has coordinates,has disorder","238852","2020-10-21","18:00:00",""
"1555528","7.71375","0.00006","8.88494","0.00009","28.0459","0.0002","90","","90","","90","","1922.16","0.03","180.01","0.1","180.01","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H31 N O5 -","- C18 H31 N O5 -","- C72 H124 N4 O20 -","4","1","","Xu, Bing; Li, Guang; Li, Jing; Shi, Yian","Total Synthesis of the Proposed Structure of Marineosin A.","Organic letters","2016","18","9","2028","2031","10.1021/acs.orglett.6b00632","","","1.54184","CuKα","","0.0378","0.0372","","","0.1035","0.1042","","","","","","1.075","","","","has coordinates","238853","2020-10-21","18:00:00",""
"1555529","11.5555","0.0011","6.7668","0.0006","12.9264","0.0014","90","","98.846","0.005","90","","998.74","0.17","173.15","","173.15","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C21 H31 N O5 -","- C21 H31 N O5 -","- C42 H62 N2 O10 -","2","1","","Xu, Bing; Li, Guang; Li, Jing; Shi, Yian","Total Synthesis of the Proposed Structure of Marineosin A.","Organic letters","2016","18","9","2028","2031","10.1021/acs.orglett.6b00632","","","0.71073","MoKα","","0.0312","0.0308","","","0.0754","0.0757","","","","","","1.056","","","","has coordinates","238854","2020-10-21","18:00:00",""
"1555530","17.4392","0.0006","7.3355","0.0002","17.5242","0.0006","90","","94.296","0.003","90","","2235.49","0.12","100","2","100","2","","","","","","","","2","P 1 21/n 1","-P 2yn","14","","","","- C38 H22 -","- C38 H22 -","- C152 H88 -","4","1","","Hsieh, Ya-Chu; Wu, Tsun-Cheng; Li, Jen-Yi; Chen, Yi-Ting; Kuo, Ming-Yu; Chou, Pi-Tai; Wu, Yao-Ting","Dinaphthozethrene and Diindenozethrene: Synthesis, Structural Analysis, and Properties.","Organic letters","2016","18","8","1868","1871","10.1021/acs.orglett.6b00637","","","1.54178","CuKα","","0.06","0.0454","","","0.1209","0.1321","","","","","","1.018","","","","has coordinates","238856","2020-10-21","18:00:00",""
"1555531","12.7866","0.0005","3.9237","0.0001","42.438","0.0015","90","","95.156","0.003","90","","2120.53","0.12","296","2","296","2","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","","","","- C36 H18 -","- C36 H18 -","- C144 H72 -","4","1","","Hsieh, Ya-Chu; Wu, Tsun-Cheng; Li, Jen-Yi; Chen, Yi-Ting; Kuo, Ming-Yu; Chou, Pi-Tai; Wu, Yao-Ting","Dinaphthozethrene and Diindenozethrene: Synthesis, Structural Analysis, and Properties.","Organic letters","2016","18","8","1868","1871","10.1021/acs.orglett.6b00637","","","1.54178","CuKα","","0.0623","0.048","","","0.128","0.1399","","","","","","1.034","","","","has coordinates","238858","2020-10-21","18:00:00",""
"1555532","7.5865","0.0015","11.136","0.002","15.609","0.003","90","","96.63","0.03","90","","1309.9","0.4","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H11 Br N2 O -","- C15 H11 Br N2 O -","- C60 H44 Br4 N8 O4 -","4","1","","Wang, Jie; Zha, Shanke; Chen, Kehao; Zhang, Feifei; Song, Chao; Zhu, Jin","Quinazoline Synthesis via Rh(III)-Catalyzed Intermolecular C-H Functionalization of Benzimidates with Dioxazolones.","Organic letters","2016","18","9","2062","2065","10.1021/acs.orglett.6b00691","","","0.71073","MoKα","","0.0708","0.0365","","","0.0732","0.0822","","","","","","1.043","","","","has coordinates","238860","2020-10-21","18:00:00",""
"1555533","10.3493","0.0005","16.6118","0.0005","11.4274","0.0006","90","","116.111","0.006","90","","1764.1","0.16","293.18","0.1","293.18","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C20 H20 O2 S2 -","- C20 H20 O2 S2 -","- C80 H80 O8 S8 -","4","1","","Lai, Junshan; Liang, Yongping; Liu, Teng; Tang, Shouchu","Dithiane Induced Cycloaddition/Aromatization Tactic for the Synthesis of Multisubstituted Furans.","Organic letters","2016","18","9","2066","2069","10.1021/acs.orglett.6b00699","","x-ray","0.71073","MoKα","","0.0691","0.0453","","","0.0975","0.1133","","","","","","1.025","","","","has coordinates","238862","2020-10-21","18:00:00",""
"1555534","9.7442","0.0009","6.1717","0.0005","14.9524","0.0013","90","","90.609","0.002","90","","899.16","0.14","100","0.2","100","0.2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C20 H28 N2 O3 -","- C20 H28 N2 O3 -","- C40 H56 N4 O6 -","2","1","","Hsieh, Sheng-Ying; Bode, Jeffrey W.","Silicon Amine Reagents for the Photocatalytic Synthesis of Piperazines from Aldehydes and Ketones.","Organic letters","2016","18","9","2098","2101","10.1021/acs.orglett.6b00722","","x-ray","0.71073","MoKα","","0.0662","0.0448","","","0.0886","0.0969","","","","","","1.014","","","","has coordinates","238864","2020-10-21","18:00:00",""
"1555535","13.0578","0.0011","15.8566","0.0013","18.5108","0.0015","90","","91.055","0.002","90","","3832.1","0.5","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C19 H25 Cl N O Rh -","- C19 H25 Cl N O Rh -","- C152 H200 Cl8 N8 O8 Rh8 -","8","2","","Wang, Qiang; Li, Xingwei","Synthesis of 1H-Indazoles from Imidates and Nitrosobenzenes via Synergistic Rhodium/Copper Catalysis.","Organic letters","2016","18","9","2102","2105","10.1021/acs.orglett.6b00727","","","0.71073","MoKα","","0.0434","0.0327","","","0.0773","0.0829","","","","","","1.011","","","","has coordinates","238866","2020-10-21","18:00:00",""
"1555536","5.92604","0.00015","12.2676","0.0003","9.9444","0.0002","90","","103.755","0.002","90","","702.21","0.03","123","0.2","123","0.2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C15 H15 Br O3 S -","- C15 H15 Br O3 S -","- C30 H30 Br2 O6 S2 -","2","1","","Pagire, Santosh K.; Paria, Suva; Reiser, Oliver","Synthesis of β-Hydroxysulfones from Sulfonyl Chlorides and Alkenes Utilizing Visible Light Photocatalytic Sequences.","Organic letters","2016","18","9","2106","2109","10.1021/acs.orglett.6b00734","","x-ray","1.54184","CuKα","","0.0421","0.0419","","","0.1079","0.1082","","","","","","1.032","","","","has coordinates","238867","2020-10-21","18:00:00",""
"1555537","14.011","0.0003","16.7528","0.0003","20.7802","0.0004","90","","105.001","0.007","90","","4711.4","0.2","123","","123","","","","","","","","","8","P 1 c 1","P -2yc","7","","","","- C46 H39 Au2 F6 N O5 P2 S3 -","- C46 H39 Au2 F6 N O5 P2 S3 -","- C184 H156 Au8 F24 N4 O20 P8 S12 -","4","2","","Tamai, Taichi; Fujiwara, Keiko; Higashimae, Shinya; Nomoto, Akihiro; Ogawa, Akiya","Gold-Catalyzed Anti-Markovnikov Selective Hydrothiolation of Unactivated Alkenes.","Organic letters","2016","18","9","2114","2117","10.1021/acs.orglett.6b00746","","","0.71075","MoKα","","0.032","0.0294","","","0.073","0.0741","","","","","","1.062","","","","has coordinates","275434","2022-05-16","05:31:57",""
"1555538","9.8079","0.0017","8.8394","0.0015","12.567","0.002","90","","99.596","0.003","90","","1074.3","0.3","100","0.5","100","0.5","","","","","","","","4","P 1 21/n 1","-P 2yn","14","rutsbm01","","","- C12 H13 N O2 -","- C12 H13 N O2 -","- C48 H52 N4 O8 -","4","1","","Fraboni, Americo J.; Brenner-Moyer, Stacey E","Dienamine-Catalyzed Nitrone Formation via Redox Reaction.","Organic letters","2016","18","9","2146","2149","10.1021/acs.orglett.6b00770","","","0.71073","MoKα","","0.0776","0.049","","","0.1223","0.1379","","","","","","1.029","","","","has coordinates","238869","2020-10-21","18:00:00",""
"1555539","7.5091","0.0001","10.1225","0.0002","12.5419","0.0002","76.957","0.001","81.066","0.001","75.302","0.001","893.46","0.03","296","2","296","2","","","","","","","","6","P -1","-P 1","2","L206","","","- C16 H15 Br Cl3 N O2 -","- C16 H15 Br Cl3 N O2 -","- C32 H30 Br2 Cl6 N2 O4 -","2","1","","García-García, Carolina; Ortiz-Rojano, Laura; Álvarez, Susana; Álvarez, Rosana; Ribagorda, María; Carreño, M Carmen","Friedel-Crafts Alkylation of Indoles with p-Quinols: The Role of Hydrogen Bonding of Water for the Desymmetrization of the Cyclohexadienone System.","Organic letters","2016","18","9","2224","2227","10.1021/acs.orglett.6b00781","","","0.71073","","","0.0495","0.0444","","","0.1327","0.146","","","","","","0.999","","","","has coordinates","238871","2020-10-21","18:00:00",""
"1555540","3.991","0.002","10.967","0.005","15.118","0.006","73.536","0.008","86.417","0.008","81.507","0.007","627.5","0.5","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C17 H11 N O -","- C17 H11 N O -","- C34 H22 N2 O2 -","2","1","","Wang, Lianjie; Liu, Xiaocui; Wang, Mang; Liu, Jun","Copper(I)-Catalyzed Heterocyclization of α-Acyl-α-alkynyl Ketene Dithioacetals: Synthesis of 3-Cyanofurans.","Organic letters","2016","18","9","2162","2165","10.1021/acs.orglett.6b00785","","","0.71069","MoKα","","0.1627","0.0663","","","0.1698","0.2399","","","","","","0.933","","","","has coordinates","238873","2020-10-21","18:00:00",""
"1555541","19.7536","0.0013","19.7536","0.0013","9.0366","0.0007","90","","90","","90","","3526.1","0.4","100","2","100","2","","","","","","","","3","I 41","I 4bw","80","","","","- C20 H27 O3.5 -","- C20 H26 O3.5 -","- C160 H208 O28 -","8","1","","Wan, Luo-Sheng; Nian, Yin; Ye, Chen-Jun; Shao, Li-Dong; Peng, Xing-Rong; Geng, Chang-An; Zuo, Zhi-Li; Li, Xiao-Nian; Yang, Jian; Zhou, Ming; Qiu, Ming-Hua","Three Minor Diterpenoids with Three Carbon Skeletons from Euphorbia peplus.","Organic letters","2016","18","9","2166","2169","10.1021/acs.orglett.6b00787","","","1.54178","CuKα","","0.0791","0.0759","","","0.2215","0.2266","","","","","","1.083","","","","has coordinates","277994","2022-09-20","08:32:41",""
"1555542","9.7169","0.0002","10.1381","0.0002","17.5286","0.0003","90","","90","","90","","1726.76","0.06","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C20 H26 O3 -","- C20 H26 O3 -","- C80 H104 O12 -","4","1","","Wan, Luo-Sheng; Nian, Yin; Ye, Chen-Jun; Shao, Li-Dong; Peng, Xing-Rong; Geng, Chang-An; Zuo, Zhi-Li; Li, Xiao-Nian; Yang, Jian; Zhou, Ming; Qiu, Ming-Hua","Three Minor Diterpenoids with Three Carbon Skeletons from Euphorbia peplus.","Organic letters","2016","18","9","2166","2169","10.1021/acs.orglett.6b00787","","","1.54178","CuKα","","0.0296","0.0296","","","0.0771","0.0771","","","","","","1.058","","","","has coordinates","238877","2020-10-21","18:00:00",""
"1555543","18.2916","0.0005","8.7712","0.0003","12.993","0.0004","90","","103.232","0.001","90","","2029.24","0.11","100","2","100","2","","","","","","","","3","C 1 2 1","C 2y","5","","","","- C22 H32 O4 -","- C22 H32 O4 -","- C88 H128 O16 -","4","1","","Wan, Luo-Sheng; Nian, Yin; Ye, Chen-Jun; Shao, Li-Dong; Peng, Xing-Rong; Geng, Chang-An; Zuo, Zhi-Li; Li, Xiao-Nian; Yang, Jian; Zhou, Ming; Qiu, Ming-Hua","Three Minor Diterpenoids with Three Carbon Skeletons from Euphorbia peplus.","Organic letters","2016","18","9","2166","2169","10.1021/acs.orglett.6b00787","","","1.54178","CuKα","","0.0463","0.0462","","","0.1278","0.1282","","","","","","1.133","","","","has coordinates,has disorder","238879","2020-10-21","18:00:00",""
"1555544","8.6651","0.0006","5.8524","0.0003","18.9495","0.001","90","","93.712","0.005","90","","958.94","0.1","100","0.2","100","0.2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C22 H20 Br N O2 -","- C22 H20 Br N O2 -","- C44 H40 Br2 N2 O4 -","2","1","","Ruchti, Jonathan; Carreira, Erick M.","Rh-Catalyzed Stereospecific Synthesis of Allenes from Propargylic Benzoates and Arylboronic Acids.","Organic letters","2016","18","9","2174","2176","10.1021/acs.orglett.6b00793","","x-ray","0.71073","MoKα","","0.072","0.0589","","","0.1301","0.141","","","","","","1.091","","","","has coordinates","238880","2020-10-21","18:00:00",""
"1555545","12.7971","0.0003","12.8656","0.0003","14.0933","0.0003","88.968","0.001","86.108","0.001","66.582","0.001","2124.21","0.09","100","","100","","","","","","","","","4","P 1","P 1","1","","","","- C24 H25 N O4 -","- C24 H25 N O4 -","- C96 H100 N4 O16 -","4","4","","Ruchti, Jonathan; Carreira, Erick M.","Rh-Catalyzed Stereospecific Synthesis of Allenes from Propargylic Benzoates and Arylboronic Acids.","Organic letters","2016","18","9","2174","2176","10.1021/acs.orglett.6b00793","","x-ray","1.54178","CuKα","","0.0313","0.0307","","","0.0827","0.0833","","","","","","1.02","","","","has coordinates","238881","2020-10-21","18:00:00",""
"1555546","5.9977","0.0001","8.669","0.0001","42.0392","0.0007","90","","90","","90","","2185.79","0.06","100","0.2","100","0.2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C28 H25 N O2 -","- C28 H25 N O2 -","- C112 H100 N4 O8 -","4","1","","Ruchti, Jonathan; Carreira, Erick M.","Rh-Catalyzed Stereospecific Synthesis of Allenes from Propargylic Benzoates and Arylboronic Acids.","Organic letters","2016","18","9","2174","2176","10.1021/acs.orglett.6b00793","","x-ray","1.54178","CuKα","","0.0317","0.0299","","","0.0721","0.0732","","","","","","1.075","","","","has coordinates","238882","2020-10-21","18:00:00",""
"1555547","10.2707","0.0013","12.5581","0.0013","14.2615","0.0015","78.265","0.009","69.761","0.011","81.577","0.009","1684","0.4","295","2","295.15","","","","","","","","","5","P -1","-P 1","2","","","","- C40 H40 N2 O S -","- C40 H40 N2 O S -","- C80 H80 N4 O2 S2 -","2","1","","Makarov, Anton S.; Merkushev, Anton A.; Uchuskin, Maxim G.; Trushkov, Igor V.","Oxidative Furan-to-Indole Rearrangement. Synthesis of 2-(2-Acylvinyl)indoles and Flinderole C Analogues.","Organic letters","2016","18","9","2192","2195","10.1021/acs.orglett.6b00805","","x-ray","0.71073","MoKα","","0.0769","0.0539","","","0.1287","0.1486","","","","","","1.022","","","","has coordinates,has disorder","238883","2020-10-21","18:00:00",""
"1555548","9.9795","0.0017","10.2314","0.0013","12.8722","0.0013","92.489","0.01","106.194","0.013","96.538","0.012","1250.1","0.3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","5-methyl-3'-phenyl-1'-tosyl-5H-spiro[furan-2,2'-indolin]-5-ol","","- C26 H25 Cl2 N O4 S -","- C26 H25 Cl2 N O4 S -","- C52 H50 Cl4 N2 O8 S2 -","2","1","","Makarov, Anton S.; Merkushev, Anton A.; Uchuskin, Maxim G.; Trushkov, Igor V.","Oxidative Furan-to-Indole Rearrangement. Synthesis of 2-(2-Acylvinyl)indoles and Flinderole C Analogues.","Organic letters","2016","18","9","2192","2195","10.1021/acs.orglett.6b00805","","x-ray","0.71073","MoKα","","0.0779","0.0623","","","0.1761","0.1892","","","","","","1.06","","","","has coordinates,has disorder","238884","2020-10-21","18:00:00",""
"1555549","10.3062","0.0005","11.6276","0.0006","13.2088","0.0007","75.92","0.004","88.72","0.004","87.09","0.004","1533.28","0.14","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- C21 H15 N -","- C21 H15 N -","- C84 H60 N4 -","4","2","","Saunthwal, Rakesh K.; Patel, Monika; Verma, Akhilesh K.","Metal- and Protection-Free [4 + 2] Cycloadditions of Alkynes with Azadienes: Assembly of Functionalized Quinolines.","Organic letters","2016","18","9","2200","2203","10.1021/acs.orglett.6b00817","","","0.71073","MoKα","","0.0634","0.048","","","0.1599","0.1848","","","","","","0.603","","","","has coordinates","238885","2020-10-21","18:00:00",""
"1555550","9.3458","0.0007","13.3878","0.001","9.015","0.0007","90","","104.592","0.007","90","","1091.57","0.15","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2-(trifluoromethyl)-7,8,9,9a-tetrahydrobenzo[4,5]imidazo[1,2-a]pyridin-6(5aH)-one","","- C12 H9 F3 N2 O -","- C12 H9 F3 N2 O -","- C48 H36 F12 N8 O4 -","4","1","","Nguyen, Thanh Binh; Ermolenko, Ludmila; Retailleau, Pascal; Al-Mourabit, Ali","Molecular Iodine-Catalyzed Aerobic α,β-Diamination of Cyclohexanones with 2-Aminopyrimidine and 2-Aminopyridines.","Organic letters","2016","18","9","2177","2179","10.1021/acs.orglett.6b00823","","","0.71075","MoKα","","0.0615","0.0487","","","0.1413","0.1519","","","","","","1.081","","","","has coordinates,has disorder","238886","2020-10-21","18:00:00",""
"1555551","8.94706","0.00018","11.2291","0.0003","14.9983","0.0003","90","","102.552","0.002","90","","1470.83","0.06","100.01","0.1","100.01","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C16 H18 N2 O2 -","- C16 H18 N2 O2 -","- C64 H72 N8 O8 -","4","2","","Halskov, Kim Søholm; Næsborg, Line; Tur, Fernando; Jørgensen, Karl Anker","Asymmetric [3 + 2] Cycloaddition of Vinylcyclopropanes and α,β-Unsaturated Aldehydes by Synergistic Palladium and Organocatalysis.","Organic letters","2016","18","9","2220","2223","10.1021/acs.orglett.6b00852","","x-ray","0.71073","MoKα","","0.067","0.0514","","","0.1077","0.1176","","","","","","1.0567","","","","has coordinates","238887","2020-10-21","18:00:00",""
"1555552","15.3345","0.0015","17.4841","0.0018","6.9026","0.0006","90","","90","","90","","1850.7","0.3","173.15","","173.15","","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C8 H9 Cl N4 O -","- C8 H9 Cl N4 O -","- C64 H72 Cl8 N32 O8 -","8","2","","Sun, Huan-Li; Chen, Fei; Xie, Ming-Sheng; Guo, Hai-Ming; Qu, Gui-Rong; He, Yan-Mei; Fan, Qing-Hua","Asymmetric Hydrogenation of α-Purine Nucleobase-Substituted Acrylates with Rhodium Diphosphine Complexes: Access to Tenofovir Analogues.","Organic letters","2016","18","9","2260","2263","10.1021/acs.orglett.6b00869","","","0.71073","MoKα","","0.0318","0.0315","","","0.0821","0.0823","","","","","","1.119","","","","has coordinates","238888","2020-10-21","18:00:00",""
"1555553","9.7821","0.0003","11.5835","0.0004","14.8591","0.0005","90","","90","","90","","1683.7","0.1","298","2","298","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","ethyl (2'S,3R,4'S,5'S)-2'-ethyl-5-fluoro-5'-methyl-2-oxo-5',6' -dihydro-2'H,4'H-spiro[indoline-3,3'-pyran]-4'-carboxylate","","","- C18 H22 F N O4 -","- C18 H22 F N O4 -","- C72 H88 F4 N4 O16 -","4","1","","Zhu, Luyi; Chen, Qiliang; Shen, Dan; Zhang, Weihao; Shen, Cong; Zeng, Xiaofei; Zhong, Guofu","Enantioselective Construction of Spirocyclic Oxindole Derivatives with Multiple Stereocenters via an Organocatalytic Michael/Aldol/Hemiacetalization Cascade Reaction.","Organic letters","2016","18","10","2387","2390","10.1021/acs.orglett.6b00873","","","1.54178","CuKα","","0.0325","0.0311","","","0.0834","0.0847","","","","","","1.026","","","","has coordinates","238889","2020-10-21","18:00:00",""
"1555554","16.268","0.003","7.4469","0.0012","22.374","0.004","90","","110.413","0.003","90","","2540.3","0.8","296","","296","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C28 H24 O6 S2 -","- C28 H24 O6 S2 -","- C112 H96 O24 S8 -","4","1","","Ni, Chunjie; Wang, MingLi; Tong, Xiaofeng","Access to Thiophene and 1H-Pyrrole via Amine-Initiated (3 + 2) Annulation and Aromatization Cascade Reaction of β'-Acetoxy Allenoate and 1,2-Bisnucleophile.","Organic letters","2016","18","9","2240","2243","10.1021/acs.orglett.6b00874","","","0.71073","MoKα","","0.0681","0.0461","","","0.1335","0.1537","","","","","","0.959","","","","has coordinates","238890","2020-10-21","18:00:00",""
"1555555","10.2049","0.0013","23.693","0.002","12.5597","0.0016","90","","107.704","0.013","90","","2892.9","0.6","180.01","0.1","180.01","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C33 H26 Cl N O5 S -","- C33 H26 Cl N O5 S -","- C132 H104 Cl4 N4 O20 S4 -","4","1","","Lv, Leiyang; Li, Zhiping","Iron-Catalyzed Radical [2 + 2 + 2] Annulation of Benzene-Linked 1,7-Enynes with Aldehydes: Fused Pyran Compounds.","Organic letters","2016","18","9","2264","2267","10.1021/acs.orglett.6b00902","","","0.71073","MoKα","","0.126","0.0721","","","0.168","0.218","","","","","","1.025","","","","has coordinates","238891","2020-10-21","18:00:00",""
"1555556","8.4295","0.0003","10.9126","0.0004","22.07","0.0009","90","","90.7067","0.0013","90","","2030.02","0.13","105","2","105","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C22 H18 Br2 O4 -","- C22 H18 Br2 O4 -","- C88 H72 Br8 O16 -","4","1","","Li, Shuangjiang; Huang, Changfeng; Thakellapalli, Haresh; Farajidizaji, Behzad; Popp, Brian V.; Petersen, Jeffrey L.; Wang, Kung K.","Syntheses and Structures of Functionalized [9]Cycloparaphenylenes as Carbon Nanohoops Bearing Carbomethoxy and N-Phenylphthalimido Groups.","Organic letters","2016","18","9","2268","2271","10.1021/acs.orglett.6b00904","","","0.71073","MoKα","","0.0556","0.0348","","","0.0727","0.0811","","","","","","1.036","","","","has coordinates","238892","2020-10-21","18:00:00",""
"1555557","14.0233","0.0008","16.2794","0.001","19.2082","0.0011","66.9176","0.0015","72.0505","0.0016","77.5633","0.0016","3815.2","0.4","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C91 H80 Cl2 O12 -","- C91 H80 Cl2 O12 -","- C182 H160 Cl4 O24 -","2","1","","Li, Shuangjiang; Huang, Changfeng; Thakellapalli, Haresh; Farajidizaji, Behzad; Popp, Brian V.; Petersen, Jeffrey L.; Wang, Kung K.","Syntheses and Structures of Functionalized [9]Cycloparaphenylenes as Carbon Nanohoops Bearing Carbomethoxy and N-Phenylphthalimido Groups.","Organic letters","2016","18","9","2268","2271","10.1021/acs.orglett.6b00904","","","0.71073","MoKα","","0.1362","0.0792","","","0.1516","0.188","","","","","","1.048","","","","has coordinates,has disorder","238892","2020-10-21","18:00:00",""
"1555558","11.2926","0.0015","12.6823","0.0016","13.3977","0.0018","90","","112.956","0.002","90","","1766.8","0.4","293","","293.15","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C24 H20 O2 -","- C24 H20 O2 -","- C96 H80 O8 -","4","1","","Siyang, Hai Xiao; Ji, Xiao Yue; Wu, Xu Rui; Wu, Xin Yan; Liu, Pei Nian","Correction to ""Lewis Acid Catalyzed Tandem Polycyclization of Internal Alkynols and Vinyl Azides"".","Organic letters","2016","18","9","2323","2324","10.1021/acs.orglett.6b00921","","","0.71073","MoKα","","0.105","0.0522","","","0.1345","0.1628","","","","","","1.012","","","","has coordinates","238893","2020-10-21","18:00:00",""
"1555559","13.3405","0.0017","7.7448","0.001","22.406","0.003","90","","104.615","0.003","90","","2240.1","0.5","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C29 H24 O3 -","- C29 H24 O3 -","- C116 H96 O12 -","4","1","","Siyang, Hai Xiao; Ji, Xiao Yue; Wu, Xu Rui; Wu, Xin Yan; Liu, Pei Nian","Correction to ""Lewis Acid Catalyzed Tandem Polycyclization of Internal Alkynols and Vinyl Azides"".","Organic letters","2016","18","9","2323","2324","10.1021/acs.orglett.6b00921","","","0.71073","MoKα","","0.0774","0.0478","","","0.1223","0.1392","","","","","","1.024","","","","has coordinates","238894","2020-10-21","18:00:00",""
"1555560","5.737","0.0005","7.6865","0.0007","13.5874","0.0012","88.575","0.002","86.523","0.002","88.004","0.002","597.55","0.09","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C14 H8 F2 N2 O S -","- C14 H8 F2 N2 O S -","- C28 H16 F4 N4 O2 S2 -","2","1","","Castanheiro, Thomas; Suffert, Jean; Gulea, Mihaela; Donnard, Morgan","Aerobic Copper-Mediated Domino Three-Component Approach to 2-Aminobenzothiazole Derivatives.","Organic letters","2016","18","11","2588","2591","10.1021/acs.orglett.6b00967","","","0.71073","MoKα","","0.0563","0.0443","","","0.1068","0.1143","","","","","","1.071","","","","has coordinates","238895","2020-10-21","18:00:00",""
"1555561","7.7454","0.0002","10.3627","0.0003","11.1019","0.0004","107.48","0.003","90.474","0.003","97.723","0.003","841.1","0.05","113","2","113.15","","","","","","","","","5","P -1","-P 1","2","","","","- C20 H17 Br N2 O2 -","- C20 H17 Br N2 O2 -","- C40 H34 Br2 N4 O4 -","2","1","","Liang, Ling; Huang, You","Phosphine-Catalyzed [3 + 3]-Domino Cycloaddition of Ynones and Azomethine Imines To Construct Functionalized Hydropyridazine Derivatives.","Organic letters","2016","18","11","2604","2607","10.1021/acs.orglett.6b00988","","x-ray","0.71073","MoKα","","0.028","0.0262","","","0.0765","0.077","","","","","","1.165","","","","has coordinates","238896","2020-10-21","18:00:00",""
"1555562","13.5393","0.0008","9.9243","0.0004","17.0947","0.001","90","","103.566","0.006","90","","2232.9","0.2","295.35","0.1","295.35","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C23 H30 F2 N2 O2 -","- C23 H30 F2 N2 O2 -","- C92 H120 F8 N8 O8 -","4","1","","Wang, Qiang; He, Yu-Tao; Zhao, Jia-Hui; Qiu, Yi-Feng; Zheng, Lan; Hu, Jing-Yuan; Yang, Yu-Chen; Liu, Xue-Yuan; Liang, Yong-Min","Palladium-Catalyzed Regioselective Difluoroalkylation and Carbonylation of Alkynes.","Organic letters","2016","18","11","2664","2667","10.1021/acs.orglett.6b01038","","x-ray","0.71073","MoKα","","0.1148","0.0632","","","0.1678","0.2101","","","","","","1.047","","","","has coordinates","238897","2020-10-21","18:00:00",""
"1555563","15.368","0.003","8.0607","0.0016","16.717","0.003","90","","114.31","0.03","90","","1887.2","0.8","113","2","113","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C20 H15 Cl2 N O4 S -","- C20 H15 Cl2 N O4 S -","- C80 H60 Cl8 N4 O16 S4 -","4","1","","Jia, Penghao; Huang, You","Sequential Annulation Domino Reaction of Sulfur Ylides and α,β-Unsaturated Cyclic Ketimines: Synthesis of Cyclic 2-Alkenyl Aziridines.","Organic letters","2016","18","10","2475","2478","10.1021/acs.orglett.6b01045","","","0.71073","MoKα","","0.1053","0.0976","","","0.249","0.2526","","","","","","1.077","","","","has coordinates","238898","2020-10-21","18:00:00",""
"1555564","8.6938","0.0012","9.8115","0.0011","18.943","0.002","90","","90","","90","","1615.8","0.3","100","","100","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C16 H24 N2 O3 S -","- C16 H24 N2 O3 S -","- C64 H96 N8 O12 S4 -","4","1","","Crossley, Steven W. M.; Martinez, Ruben M.; Guevara-Zuluaga, Sebastián; Shenvi, Ryan A.","Synthesis of the Privileged 8-Arylmenthol Class by Radical Arylation of Isopulegol.","Organic letters","2016","18","11","2620","2623","10.1021/acs.orglett.6b01047","","x-ray","0.71073","MoKα","","0.0598","0.0472","","","0.1019","0.1106","","","","","","1.033","","","","has coordinates","238899","2020-10-21","18:00:00",""
"1555565","7.7666","0.0005","15.5767","0.0006","16.2634","0.0006","91.394","0.004","99.881","0.004","90.214","0.004","1937.69","0.16","100","","100","","","","","","","","","4","P -1","-P 1","2","","","","- C21 H22 N2 O6 -","- C21 H22 N2 O6 -","- C84 H88 N8 O24 -","4","2","","Crossley, Steven W. M.; Martinez, Ruben M.; Guevara-Zuluaga, Sebastián; Shenvi, Ryan A.","Synthesis of the Privileged 8-Arylmenthol Class by Radical Arylation of Isopulegol.","Organic letters","2016","18","11","2620","2623","10.1021/acs.orglett.6b01047","","x-ray","1.54178","CuKα","","0.0489","0.0412","","","0.1013","0.1049","","","","","","1.051","","","","has coordinates","238900","2020-10-21","18:00:00",""
"1555566","8.6308","0.0013","13.95","0.002","15.866","0.003","102.47","0.011","103.64","0.011","105.496","0.013","1707.7","0.5","293","","293","","","","","","","","","6","P -1","-P 1","2","","2-Methylnaphthalen-1-yl(S,E)-4-(4-fluorophenyl)-2-{(S)-[(4-methylphenyl) sulfonamido](phenyl)methyl}but-3-enoate dimethyl sulfoxide solvate","","- C37 H36 F N O5 S2 -","- C37 H36 F N O5 S2 -","- C74 H72 F2 N2 O10 S4 -","2","1","","Guang, Jie; Rout, Saroj; Bihani, Manisha; Larson, Ariel J.; Arman, Hadi D.; Zhao, John C.-G.","Organocatalyzed Enantioselective Direct Mannich Reaction of α-Styrylacetates.","Organic letters","2016","18","11","2648","2651","10.1021/acs.orglett.6b01087","","","0.71073","MoKα","","0.0749","0.0636","","","0.1332","0.1389","","","","","","0.992","","","","has coordinates","238901","2020-10-21","18:00:00",""
"1555567","5.76","0.0006","42.882","0.004","8.034","0.0008","90","","94.022","0.003","90","","1979.5","0.3","100","0.2","100","0.2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(3-(Methoxymethoxy)-2-(Perfluorophenyl)Piperidin-1-yl)(4-Nitrophenyl)Methanone","","- C20 H17 F5 N2 O5 -","- C20 H17 F5 N2 O5 -","- C80 H68 F20 N8 O20 -","4","1","","Luescher, Michael U.; Bode, Jeffrey W.","SnAP-eX Reagents for the Synthesis of Exocyclic 3-Amino- and 3-Alkoxypyrrolidines and Piperidines from Aldehydes.","Organic letters","2016","18","11","2652","2655","10.1021/acs.orglett.6b01099","","x-ray","0.71073","MoKα","","0.0478","0.0374","","","0.0814","0.0864","","","","","","1.033","","","","has coordinates","238902","2020-10-21","18:00:00",""
"1555568","13.2033","0.0017","7.3109","0.0011","17.144","0.002","90","","97.707","0.005","90","","1639.9","0.4","100","0.2","100","0.2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","trans-tert-Butyl (2-(o-tolyl)piperidin-3-yl)carbamate","","- C17 H26 N2 O2 -","- C17 H26 N2 O2 -","- C68 H104 N8 O8 -","4","1","","Luescher, Michael U.; Bode, Jeffrey W.","SnAP-eX Reagents for the Synthesis of Exocyclic 3-Amino- and 3-Alkoxypyrrolidines and Piperidines from Aldehydes.","Organic letters","2016","18","11","2652","2655","10.1021/acs.orglett.6b01099","","x-ray","0.71073","MoKα","","0.0748","0.0475","","","0.1063","0.1209","","","","","","1.056","","","","has coordinates","238903","2020-10-21","18:00:00",""
"1555569","14.84","0.0017","6.9273","0.0007","15.2459","0.0018","90","","109.128","0.003","90","","1480.8","0.3","100","0.2","100","0.2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C13 H15 Cl F5 N O2 -","- C13 H15 Cl F5 N O2 -","- C52 H60 Cl4 F20 N4 O8 -","4","1","","Luescher, Michael U.; Bode, Jeffrey W.","SnAP-eX Reagents for the Synthesis of Exocyclic 3-Amino- and 3-Alkoxypyrrolidines and Piperidines from Aldehydes.","Organic letters","2016","18","11","2652","2655","10.1021/acs.orglett.6b01099","","x-ray","0.71073","MoKα","","0.0492","0.0345","","","0.0805","0.089","","","","","","1.034","","","","has coordinates","238904","2020-10-21","18:00:00",""
"1555570","11.311","0.002","5.661","0.0012","16.455","0.003","90","","108.595","0.005","90","","998.6","0.3","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C24 H19 Br N2 O2 -","- C24 H19 Br N2 O2 -","- C48 H38 Br2 N4 O4 -","2","1","","Winterton, Sarah E.; Ready, Joseph M.","[3 + 2]-Cycloadditions of Azomethine Imines and Ynolates.","Organic letters","2016","18","11","2608","2611","10.1021/acs.orglett.6b01104","","","0.71073","MoKα","","0.042","0.0357","","","0.077","0.08","","","","","","0.986","","","","has coordinates","238905","2020-10-21","18:00:00",""
"1555571","5.9846","0.0016","7.913","0.002","12.691","0.003","99.814","0.01","95.953","0.009","107.509","0.01","557","0.2","298","2","298","2","","","","","","","","4","P 1","P 1","1","","(4aS,4bR,6R,10bR)-8,9-dimethoxy-1,1,4a,10b-tetramethyl-7-nitro-1,2,3,4,4a,4b,5,6,10b,11,12,12a,-dodecahydrochrysen-6-ol","","- C24 H35 N O5 -","- C24 H35 N O5 -","- C24 H35 N O5 -","1","1","","Nagaraju, Karre; Chegondi, Rambabu; Chandrasekhar, Srivari","Expanding Diversity without Protecting Groups: (+)-Sclareolide to Indolosesquiterpene Alkaloid Mycoleptodiscin A and Analogues.","Organic letters","2016","18","11","2684","2687","10.1021/acs.orglett.6b01145","","","0.71073","MoKα","","0.096","0.0617","","","0.13","0.1429","","","","","","1.049","","","","has coordinates","238906","2020-10-21","18:00:00",""
"1555572","6.0956","0.0002","15.5691","0.0007","24.6358","0.0011","90","","90","","90","","2338.01","0.17","298","2","298","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(4aS,4bR,6S,10bR)-8,9-dimethoxy-1,1,4a,10b-tetramethyl-7-nitro-1,2,3,4,4a,4b,5,6,10b,11,12,12a,-dodecahydrochrysene-6-carbonitrile","","- C25 H34 N2 O4 -","- C25 H34 N2 O4 -","- C100 H136 N8 O16 -","4","1","","Nagaraju, Karre; Chegondi, Rambabu; Chandrasekhar, Srivari","Expanding Diversity without Protecting Groups: (+)-Sclareolide to Indolosesquiterpene Alkaloid Mycoleptodiscin A and Analogues.","Organic letters","2016","18","11","2684","2687","10.1021/acs.orglett.6b01145","","","0.71073","MoKα","","0.0874","0.059","","","0.1397","0.1581","","","","","","1.185","","","","has coordinates","238907","2020-10-21","18:00:00",""
"1555573","11.7488","0.0003","11.331","0.0003","16.0382","0.0004","90","","110.789","0.001","90","","1996.09","0.09","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","compound 1","","","- C23 H21 B N2 O2 -","- C23 H21 B N2 O2 -","- C92 H84 B4 N8 O8 -","4","1","","Mazzanti, Andrea; Mercanti, Elia; Mancinelli, Michele","Axial Chirality about Boron-Carbon Bond: Atropisomeric Azaborines.","Organic letters","2016","18","11","2692","2695","10.1021/acs.orglett.6b01159","","","0.71073","MoKα","","0.0588","0.0467","","","0.1419","0.1616","","","","","","1.082","","","","has coordinates","238908","2020-10-21","18:00:00",""
"1555574","10.004","0.002","10.563","0.002","12.631","0.003","94.414","0.004","111.883","0.004","93.763","0.004","1228.5","0.4","296","2","296","2","","","","","","","","3","P -1","-P 1","2","","","","- C27 H38 O3 -","- C27 H38 O3 -","- C54 H76 O6 -","2","1","","Shen, Yangyong; Qi, Jifeng; Mao, Zhenjun; Cui, Sunliang","Fe-Catalyzed Hydroalkylation of Olefins with para-Quinone Methides.","Organic letters","2016","18","11","2722","2725","10.1021/acs.orglett.6b01173","","","0.71073","MoKα","","0.122","0.0594","","","0.1275","0.1578","","","","","","0.993","","","","has coordinates","238909","2020-10-21","18:00:00",""
"1555575","6.37164","0.00008","8.13751","0.00015","26.6535","0.0003","90","","90","","90","","1381.96","0.03","180","0.1","180","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H15 F3 N2 -","- C16 H15 F3 N2 -","- C64 H60 F12 N8 -","4","1","","Ma, Wenpeng; Chen, Fei; Liu, Youran; He, Yan-Mei; Fan, Qing-Hua","Ruthenium-Catalyzed Enantioselective Hydrogenation of 1,8-Naphthyridine Derivatives.","Organic letters","2016","18","11","2730","2733","10.1021/acs.orglett.6b01186","","","1.54184","CuKα","","0.0311","0.0309","","","0.079","0.0791","","","","","","1.068","","","","has coordinates,has disorder","238910","2020-10-21","18:00:00",""
"1555576","10.581","0.003","9.532","0.003","11.106","0.003","90","","90.577","0.003","90","","1120.1","0.6","173.15","","173.15","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C27 H24 N2 O2 S -","- C27 H24 N2 O2 S -","- C54 H48 N4 O4 S2 -","2","1","","Ma, Wenpeng; Chen, Fei; Liu, Youran; He, Yan-Mei; Fan, Qing-Hua","Ruthenium-Catalyzed Enantioselective Hydrogenation of 1,8-Naphthyridine Derivatives.","Organic letters","2016","18","11","2730","2733","10.1021/acs.orglett.6b01186","","","0.71073","MoKα","","0.0307","0.0302","","","0.0755","0.0759","","","","","","1.076","","","","has coordinates","238911","2020-10-21","18:00:00",""
"1555577","9.2442","0.001","9.4365","0.001","10.1285","0.0011","109.029","0.01","92.163","0.009","110.061","0.01","773.37","0.17","289","2","289","2","","","","","","","","4","P -1","-P 1","2","","","","- C18 H17 N O3 -","- C18 H17 N O3 -","- C36 H34 N2 O6 -","2","1","","Li, Chao; Jiang, Kun; Ouyang, Qin; Liu, Tian-Yu; Chen, Ying-Chun","[3 + 1]- and [3 + 2]-Cycloadditions of Azaoxyallyl Cations and Sulfur Ylides.","Organic letters","2016","18","11","2738","2741","10.1021/acs.orglett.6b01194","","","0.71073","MoKα","","0.0861","0.052","","","0.1272","0.1962","","","","","","1.07","","","","has coordinates","238912","2020-10-21","18:00:00",""
"1555578","20.6513","0.0013","5.9284","0.0004","14.7885","0.0009","90","","90","","90","","1810.5","0.2","290.56","0.1","290.56","0.1","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C24 H19 N0.25 O3 -","- C23 H19 N O3 -","- C92 H76 N4 O12 -","4","1","","Li, Chao; Jiang, Kun; Ouyang, Qin; Liu, Tian-Yu; Chen, Ying-Chun","[3 + 1]- and [3 + 2]-Cycloadditions of Azaoxyallyl Cations and Sulfur Ylides.","Organic letters","2016","18","11","2738","2741","10.1021/acs.orglett.6b01194","","x-ray","0.71073","MoKα","","0.0416","0.0375","","","0.0824","0.0843","","","","","","1.097","","","","has coordinates","238913","2020-10-21","18:00:00",""
"1555579","11.661","0.003","12.035","0.003","17.572","0.005","102.313","0.004","101.456","0.004","102.201","0.002","2276.9","1","120","2","120","2","","","","","","","","7","P -1","-P 1","2","","","","- C49 H42 B Cl3 F2 N2 O4 -","- C49 H42 B Cl3 F2 N2 O4 -","- C98 H84 B2 Cl6 F4 N4 O8 -","2","1","","Gobo, Yuki; Yamamura, Masaki; Nakamura, Takashi; Nabeshima, Tatsuya","Synthesis and Chiroptical Properties of a Ring-Fused BODIPY with a Skewed Chiral π Skeleton.","Organic letters","2016","18","11","2719","2721","10.1021/acs.orglett.6b01237","","","0.71073","MoKα","","0.0609","0.0496","","","0.1093","0.1146","","","","","","1.029","","","","has coordinates","238914","2020-10-21","18:00:00",""
"1555580","19.489","0.004","25.41","0.005","16.809","0.004","90","","100.702","0.002","90","","8179","3","120","2","120","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C48 H41 B F2 N2 O4 -","- C48 H41 B F2 N2 O4 -","- C384 H328 B8 F16 N16 O32 -","8","1","","Gobo, Yuki; Yamamura, Masaki; Nakamura, Takashi; Nabeshima, Tatsuya","Synthesis and Chiroptical Properties of a Ring-Fused BODIPY with a Skewed Chiral π Skeleton.","Organic letters","2016","18","11","2719","2721","10.1021/acs.orglett.6b01237","","","0.71073","MoKα","","0.0621","0.046","","","0.1182","0.125","","","","","","1.065","","","","has coordinates","238915","2020-10-21","18:00:00",""
"1555581","16.5088","0.0009","8.4395","0.0005","16.9774","0.0008","90","","109.4","0.001","90","","2231.1","0.2","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C21 H33 N O2 Si -","- C21 H33 N O2 Si -","- C84 H132 N4 O8 Si4 -","4","1","","Boobalan, Ramadoss; Gandeepan, Parthasarathy; Cheng, Chien-Hong","Ruthenium-Catalyzed C-H Alkynylation of Aromatic Amides with Hypervalent Iodine-Alkyne Reagents.","Organic letters","2016","18","14","3314","3317","10.1021/acs.orglett.6b01281","","","0.71073","MoKα","","0.0894","0.0524","","","0.1498","0.1768","","","","","","1.043","","","","has coordinates","238916","2020-10-21","18:00:00",""
"1555582","18.781","0.005","13.854","0.004","8.134","0.002","90","","93.886","0.004","90","","2111.5","1","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C19 H28 Cl N O2 Si -","- C19 H28 Cl N O2 Si -","- C76 H112 Cl4 N4 O8 Si4 -","4","1","","Boobalan, Ramadoss; Gandeepan, Parthasarathy; Cheng, Chien-Hong","Ruthenium-Catalyzed C-H Alkynylation of Aromatic Amides with Hypervalent Iodine-Alkyne Reagents.","Organic letters","2016","18","14","3314","3317","10.1021/acs.orglett.6b01281","","","0.71073","MoKα","","0.153","0.0692","","","0.1799","0.2323","","","","","","1.036","","","","has coordinates","238917","2020-10-21","18:00:00",""
"1555583","8.9792","0.0007","16.193","0.0013","13.2363","0.001","90","","106.625","0.001","90","","1844.1","0.2","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","bcg2-15B","","","- C43 H47 N3 O5 -","- C43 H47 N3 O5 -","- C86 H94 N6 O10 -","2","1","","Gorske, Benjamin C.; Mumford, Emily M.; Conry, Rebecca R.","Tandem Incorporation of Enantiomeric Residues Engenders Discrete Peptoid Structures.","Organic letters","2016","18","11","2780","2783","10.1021/acs.orglett.6b01283","","","0.71073","MoKα","","0.0463","0.0405","","","0.0891","0.0939","","","","","","1.047","","","","has coordinates","238918","2020-10-21","18:00:00",""
"1555584","12.9668","0.0015","13.1573","0.0015","13.5181","0.0015","90","","109.297","0.001","90","","2176.7","0.4","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","bcg1-109a","","","- C49 H55 N3 O6 -","- C49 H55 N3 O6 -","- C98 H110 N6 O12 -","2","1","","Gorske, Benjamin C.; Mumford, Emily M.; Conry, Rebecca R.","Tandem Incorporation of Enantiomeric Residues Engenders Discrete Peptoid Structures.","Organic letters","2016","18","11","2780","2783","10.1021/acs.orglett.6b01283","","","0.71073","MoKα","","0.052","0.0437","","","0.0981","0.104","","","","","","1.051","","","","has coordinates","238919","2020-10-21","18:00:00",""
"1555585","6.5067","0.0004","10.2546","0.0007","22.3875","0.0014","90","","90","","90","","1493.77","0.17","110","2","110","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C15 H23 N O2 S -","- C15 H23 N O2 S -","- C60 H92 N4 O8 S4 -","4","1","","Kubiak, 2nd, Robert W; Mighion, Jeffrey D.; Wilkerson-Hill, Sidney M; Alford, Joshua S.; Yoshidomi, Tetsushi; Davies, Huw M. L.","Enantioselective Intermolecular C-H Functionalization of Allylic and Benzylic sp(3) C-H Bonds Using N-Sulfonyl-1,2,3-triazoles.","Organic letters","2016","18","13","3118","3121","10.1021/acs.orglett.6b01298","","","0.71073","MoKα","","0.0547","0.0469","","","0.1122","0.1193","","","","","","1.027","","","","has coordinates","238920","2020-10-21","18:00:00",""
"1555586","9.8599","0.0003","11.9104","0.0004","11.9139","0.0004","61.836","0.001","72.739","0.001","86.003","0.001","1173.79","0.07","103","2","103","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H26 Br N O5 -","- C26 H26 Br N O5 -","- C52 H52 Br2 N2 O10 -","2","1","","Das, Saikat; Chakrabarty, Shyamal; Daniliuc, Constantin G.; Studer, Armido","Tetrahydroquinolines via Stereospecific [3 + 3]-Annulation of Donor-Acceptor Cyclopropanes with Nitrosoarenes.","Organic letters","2016","18","11","2784","2787","10.1021/acs.orglett.6b01302","","","1.54178","CuKα","","0.0395","0.0376","","","0.0884","0.0897","","","","","","1.091","","","","has coordinates,has disorder","238921","2020-10-21","18:00:00",""
"1555587","8.662","0.0002","9.2342","0.0003","26.0487","0.0007","90","","90","","90","","2083.55","0.1","102","2","102","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C22 H24 Br N O5 -","- C22 H24 Br N O5 -","- C88 H96 Br4 N4 O20 -","4","1","","Das, Saikat; Chakrabarty, Shyamal; Daniliuc, Constantin G.; Studer, Armido","Tetrahydroquinolines via Stereospecific [3 + 3]-Annulation of Donor-Acceptor Cyclopropanes with Nitrosoarenes.","Organic letters","2016","18","11","2784","2787","10.1021/acs.orglett.6b01302","","","1.54178","CuKα","","0.0225","0.0219","","","0.0553","0.0556","","","","","","1.052","","","","has coordinates","238921","2020-10-21","18:00:00",""
"1555588","8.0804","0.0006","16.5626","0.001","17.4337","0.0011","82.85","0.005","78.821","0.005","77.371","0.005","2225.3","0.3","90","0.5","90","0.5","","","","","","","","6","P -1","-P 1","2","","","","- C53.59 H49.59 Cl1.77 Cu N6 O2 -","- C53 H49 Cu N6 O2 -","- C106 H98 Cu2 N12 O4 -","2","1","","Berionni Berna, Beatrice; Nardis, Sara; Galloni, Pierluca; Savoldelli, Andrea; Stefanelli, Manuela; Fronczek, Frank R.; Smith, Kevin M.; Paolesse, Roberto","β-Pyrrolopyrazino Annulated Corroles via a Pictet-Spengler Approach.","Organic letters","2016","18","14","3318","3321","10.1021/acs.orglett.6b01314","","","1.54184","CuKα","","0.1867","0.0798","","","0.151","0.1861","","","","","","0.867","","","","has coordinates","238922","2020-10-21","18:00:00",""
"1555589","12.031","0.0011","30.509","0.003","13.9111","0.0009","90","","113.596","0.004","90","","4679.2","0.7","90","0.5","90","0.5","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C54 H52 Cl3 Cu N6 -","- C54 H52 Cl3 Cu N6 -","- C216 H208 Cl12 Cu4 N24 -","4","1","","Berionni Berna, Beatrice; Nardis, Sara; Galloni, Pierluca; Savoldelli, Andrea; Stefanelli, Manuela; Fronczek, Frank R.; Smith, Kevin M.; Paolesse, Roberto","β-Pyrrolopyrazino Annulated Corroles via a Pictet-Spengler Approach.","Organic letters","2016","18","14","3318","3321","10.1021/acs.orglett.6b01314","","","1.54184","CuKα","","0.1866","0.081","","","0.1779","0.227","","","","","","1","","","","has coordinates","238922","2020-10-21","18:00:00",""
"1555590","25.4929","0.0011","11.6131","0.0005","33.0447","0.0014","90","","98.807","0.002","90","","9667.6","0.7","90","0.5","90","0.5","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C55.5 H50.5 Cl4.5 Cu N6 -","- C55.5 H50.5 Cl4.5 Cu N6 -","- C444 H404 Cl36 Cu8 N48 -","8","1","","Berionni Berna, Beatrice; Nardis, Sara; Galloni, Pierluca; Savoldelli, Andrea; Stefanelli, Manuela; Fronczek, Frank R.; Smith, Kevin M.; Paolesse, Roberto","β-Pyrrolopyrazino Annulated Corroles via a Pictet-Spengler Approach.","Organic letters","2016","18","14","3318","3321","10.1021/acs.orglett.6b01314","","","0.71073","MoKα","","0.0814","0.0673","","","0.1727","0.1814","","","","","","1.094","","","","has coordinates,has disorder","238922","2020-10-21","18:00:00",""
"1555591","13.3931","0.0004","9.5262","0.0003","17.8614","0.0005","90","","101.589","0.002","90","","2232.4","0.12","100","0.2","100","0.2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C45 H52 Cl2 O12 P2 -","- C45 H52 Cl2 O12 P2 -","- C90 H104 Cl4 O24 P4 -","2","1","","Durantie, Estelle; Huwiler, Samuel; Leroux, Jean-Christophe; Castagner, Bastien","A Chiral Phosphoramidite Reagent for the Synthesis of Inositol Phosphates.","Organic letters","2016","18","13","3162","3165","10.1021/acs.orglett.6b01374","","x-ray","1.54178","CuKα","","0.0386","0.0356","","","0.092","0.094","","","","","","1.045","","","","has coordinates","238923","2020-10-21","18:00:00",""
"1555592","11.2057","0.0008","15.2204","0.0014","18.506","0.002","71.165","0.006","81.596","0.006","89.993","0.006","2951.5","0.5","100","0.2","100","0.2","","","","","","","","4","P 1","P 1","1","","","","- C66 H66 O12 P2 -","- C66 H64.5 O12 P2 -","- C132 H129 O24 P4 -","2","2","","Durantie, Estelle; Huwiler, Samuel; Leroux, Jean-Christophe; Castagner, Bastien","A Chiral Phosphoramidite Reagent for the Synthesis of Inositol Phosphates.","Organic letters","2016","18","13","3162","3165","10.1021/acs.orglett.6b01374","","x-ray","1.54178","CuKα","","0.1512","0.1275","","","0.2978","0.32","","","","","","1.069","","","","has coordinates","274567","2022-04-19","14:22:36",""
"1555593","7.1867","0.0018","11.58","0.003","17.91","0.005","87.008","0.008","85.211","0.008","87.346","0.009","1482","0.7","200","2","200","2","","","","","","","","7","P -1","-P 1","2","sy5","","","- C27 H36 F3 N O3 S2 Si -","- C27 H36 F3 N O3 S2 Si -","- C54 H72 F6 N2 O6 S4 Si2 -","2","1","","Karmakar, Rajdip; Mamidipalli, Phani; Salzman, Ryan M.; Hong, Seongwon; Yun, Sang Young; Guo, Wei; Xia, Yuanzhi; Lee, Daesung","Benzannulation of Triynes Initiated by an Alder-Ene Reaction and Subsequent Trifluoromethylthiolate Addition.","Organic letters","2016","18","15","3530","3533","10.1021/acs.orglett.6b01443","","","0.71073","MoKα","","0.0846","0.0699","","","0.2082","0.2263","","","","","","1.508","","","","has coordinates","238924","2020-10-21","18:00:00",""
"1555594","10.7656","0.0001","8.6732","0.0001","11.0548","0.0001","90","","95.097","0.001","90","","1028.13","0.018","100","0.1","100","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","3m","(S)-2-phenyl-2-(trityloxy)acetonitrile","","- C27 H21 N O -","- C27 H21 N O -","- C54 H42 N2 O2 -","2","1","","Cioc, Răzvan C; Schuckman, Peter; Preschel, Hans D.; Vlaar, Tjøstil; Ruijter, Eelco; Orru, Romano V. A.","Brønsted Acid-Catalyzed Cyanotritylation of Aldehydes by Trityl Isocyanide.","Organic letters","2016","18","15","3562","3565","10.1021/acs.orglett.6b01481","","x-ray","1.54184","CuKα","","0.0453","0.043","","","0.1106","0.1134","","","","","","1.048","","","","has coordinates","238925","2020-10-21","18:00:00",""
"1555595","26.236","0.003","8.1806","0.0011","21.79","0.003","90","","100.102","0.002","90","","4604.2","1","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C24 H21 Cl F3 N O4 -","- C24 H21 Cl F3 N O4 -","- C192 H168 Cl8 F24 N8 O32 -","8","1","","Zhu, Yuanyuan; Dong, Zhenghao; Cheng, Xin; Zhong, Xiaoling; Liu, Xiaolin; Lin, Li; Shen, Zhiqiang; Yang, Peiju; Li, Yuan; Wang, Hailin; Yan, Wenjin; Wang, Kairong; Wang, Rui","Asymmetric Synthesis of CF3- and Indole-Containing Thiochromanes via a Squaramide-Catalyzed Michael-Aldol Reaction.","Organic letters","2016","18","15","3546","3549","10.1021/acs.orglett.6b01498","","","0.71073","MoKα","","0.0575","0.0414","","","0.1327","0.1493","","","","","","1.002","","","","has coordinates","238926","2020-10-21","18:00:00",""
"1555596","10.4656","0.0003","10.4575","0.0002","26.8799","0.0005","90","","89.999","0.002","90","","2941.84","0.12","290.83","0.1","290.83","0.1","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C31 H27 Cl F3 N O5 S -","- C31 H27 Cl F3 N O5 S -","- C124 H108 Cl4 F12 N4 O20 S4 -","4","2","","Zhu, Yuanyuan; Dong, Zhenghao; Cheng, Xin; Zhong, Xiaoling; Liu, Xiaolin; Lin, Li; Shen, Zhiqiang; Yang, Peiju; Li, Yuan; Wang, Hailin; Yan, Wenjin; Wang, Kairong; Wang, Rui","Asymmetric Synthesis of CF3- and Indole-Containing Thiochromanes via a Squaramide-Catalyzed Michael-Aldol Reaction.","Organic letters","2016","18","15","3546","3549","10.1021/acs.orglett.6b01498","","x-ray","0.71073","MoKα","","0.0632","0.0451","","","0.0921","0.1043","","","","","","1.016","","","","has coordinates","238927","2020-10-21","18:00:00",""
"1555597","23.324","0.008","9.264","0.003","26.981","0.009","90","","105.014","0.005","90","","5631","3","296","2","296","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C30 H38 O5 -","- C30 H38 O5 -","- C240 H304 O40 -","8","2","","Yuan, Zhenbo; Wei, Weiwei; Lin, Aijun; Yao, Hequan","Bifunctional Organo/Metal Cooperatively Catalyzed [3 + 2] Annulation of para-Quinone Methides with Vinylcyclopropanes: Approach to Spiro[4.5]deca-6,9-diene-8-ones.","Organic letters","2016","18","14","3370","3373","10.1021/acs.orglett.6b01512","","","0.71073","MoKα","","0.1266","0.0728","","","0.2076","0.2425","","","","","","1.05","","","","has coordinates","238928","2020-10-21","18:00:00",""
"1555598","24.3768","0.0013","24.3768","0.0013","7.2197","0.0005","90","","90","","120","","3715.4","0.4","150","2","150","2","","","","","","","","4","R 3 :H","R 3","146","","","","- C19 H20 N2 O1.76 -","- C19 H20 N2 O1.76 -","- C171 H180 N18 O15.84 -","9","1","","Rahman, M. Toufiqur; Deschamps, Jeffrey R.; Imler, Gregory H.; Schwabacher, Alan W.; Cook, James M.","Total Synthesis of Macrocarpines D and E via an Enolate-Driven Copper-Mediated Cross-Coupling Process: Replacement of Catalytic Palladium with Copper Iodide.","Organic letters","2016","18","17","4174","4177","10.1021/acs.orglett.6b01526","","","1.54178","CuKα","","0.1244","0.1219","","","0.3453","0.351","","","","","","1.776","","","","has coordinates","238929","2020-10-21","18:00:00",""
"1555599","6.8328","0.0005","11.6515","0.0006","19.2975","0.0007","90","","90","","90","","1536.32","0.15","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C19 H20 N2 O -","- C19 H20 N2 O -","- C76 H80 N8 O4 -","4","1","","Rahman, M. Toufiqur; Deschamps, Jeffrey R.; Imler, Gregory H.; Schwabacher, Alan W.; Cook, James M.","Total Synthesis of Macrocarpines D and E via an Enolate-Driven Copper-Mediated Cross-Coupling Process: Replacement of Catalytic Palladium with Copper Iodide.","Organic letters","2016","18","17","4174","4177","10.1021/acs.orglett.6b01526","","","0.71073","MoKα","","0.0425","0.0351","","","0.0861","0.1031","","","","","","1.116","","","","has coordinates","238930","2020-10-21","18:00:00",""
"1555600","7.272","0.001","9.1963","0.0012","13.4788","0.0018","90","","101.735","0.005","90","","882.6","0.2","150","2","150","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C19 H21 I N2 O -","- C19 H21 I N2 O -","- C38 H42 I2 N4 O2 -","2","1","","Rahman, M. Toufiqur; Deschamps, Jeffrey R.; Imler, Gregory H.; Schwabacher, Alan W.; Cook, James M.","Total Synthesis of Macrocarpines D and E via an Enolate-Driven Copper-Mediated Cross-Coupling Process: Replacement of Catalytic Palladium with Copper Iodide.","Organic letters","2016","18","17","4174","4177","10.1021/acs.orglett.6b01526","","","1.54178","CuKα","","0.065","0.0648","","","0.1865","0.1873","","","","","","1.127","","","","has coordinates","238932","2020-10-21","18:00:00",""
"1555601","10.3077","0.0003","7.8255","0.0002","10.6948","0.0003","90","","117.859","0.001","90","","762.69","0.04","150","2","150","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C19 H20 N2 O -","- C19 H20 N2 O -","- C38 H40 N4 O2 -","2","1","","Rahman, M. Toufiqur; Deschamps, Jeffrey R.; Imler, Gregory H.; Schwabacher, Alan W.; Cook, James M.","Total Synthesis of Macrocarpines D and E via an Enolate-Driven Copper-Mediated Cross-Coupling Process: Replacement of Catalytic Palladium with Copper Iodide.","Organic letters","2016","18","17","4174","4177","10.1021/acs.orglett.6b01526","","","1.54178","CuKα","","0.043","0.043","","","0.116","0.116","","","","","","1.111","","","","has coordinates","238933","2020-10-21","18:00:00",""
"1555602","38.8089","0.0012","9.9944","0.0003","20.8313","0.0007","90","","111.915","0.001","90","","7496","0.4","294","2","294","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C41 H39 N3 O4 S2 -","- C41 H39 N3 O4 S2 -","- C328 H312 N24 O32 S16 -","8","1","","Zhang, Jingyi; Zhang, Qingshuang; Xia, Biao; Wu, Jie; Wang, Xiao-Na; Chang, Junbiao","Metal-Free [2 + 2 + 2] Cycloaddition of Ynamides with Nitriles to Construct 2,4-Diaminopyridines.","Organic letters","2016","18","14","3390","3393","10.1021/acs.orglett.6b01546","","","1.54178","CuKα","","0.0651","0.0514","","","0.1672","0.1924","","","","","","0.764","","","","has coordinates","238934","2020-10-21","18:00:00",""
"1555603","6.1927","0.0007","35.576","0.004","8.386","0.0009","90","","106.723","0.002","90","","1769.4","0.3","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H16 N4 O2 -","- C20 H16 N4 O2 -","- C80 H64 N16 O8 -","4","1","","Shelke, Anil M.; Suryavanshi, Gurunath","Fluoride-Assisted Synthesis of 1,4,5,6-Tetrahydropyridazines via [4 + 2] Cyclodimerization of in Situ-Generated Azoalkenes Followed by a C-N Bond Cleavage.","Organic letters","2016","18","16","3968","3971","10.1021/acs.orglett.6b01551","","","0.71073","MoKα","","0.1045","0.0813","","","0.2228","0.24","","","","","","1.099","","","","has coordinates","238935","2020-10-21","18:00:00",""
"1555604","16.103","0.0017","13.8295","0.0015","31.954","0.004","90","","92.721","0.006","90","","7108","1.4","293","2","293.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C82 H63 Cl6 N15 O3 -","- C81.998 H62.996 Cl5.998 N15 O3 -","- C327.992 H251.984 Cl23.992 N60 O12 -","4","1","","Samanta, Jayanta; Natarajan, Ramalingam","Cofacial Organic Click Cage to Intercalate Polycyclic Aromatic Hydrocarbons.","Organic letters","2016","18","14","3394","3397","10.1021/acs.orglett.6b01554","","","0.71073","MoKα","","0.1702","0.0757","","","0.1986","0.2486","","","","","","1.048","","","","has coordinates,has disorder","238936","2020-10-21","18:00:00",""
"1555605","17.7889","0.0016","21.013","0.002","37.032","0.003","90","","102.091","0.005","90","","13535","2","293","2","293.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C76 H59 Cl4 N15 O3 -","- C76 H59 Cl4 N15 O3 -","- C608 H472 Cl32 N120 O24 -","8","2","","Samanta, Jayanta; Natarajan, Ramalingam","Cofacial Organic Click Cage to Intercalate Polycyclic Aromatic Hydrocarbons.","Organic letters","2016","18","14","3394","3397","10.1021/acs.orglett.6b01554","","","0.71073","MoKα","","0.1981","0.1277","","","0.3335","0.3892","","","","","","1.013","","","","has coordinates,has disorder","238937","2020-10-21","18:00:00",""
"1555606","10.7001","0.0008","20.2403","0.0014","29.729","0.002","90","","91.17","0.004","90","","6437.2","0.8","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C61.5 H54 Cl7.5 N15 O3 -","- C61.5 H54 Cl7.5 N15 O3 -","- C246 H216 Cl30 N60 O12 -","4","1","","Samanta, Jayanta; Natarajan, Ramalingam","Cofacial Organic Click Cage to Intercalate Polycyclic Aromatic Hydrocarbons.","Organic letters","2016","18","14","3394","3397","10.1021/acs.orglett.6b01554","","","0.71073","MoKα","","0.1103","0.0838","","","0.2181","0.2374","","","","","","1.027","","","","has coordinates,has disorder","238938","2020-10-21","18:00:00",""
"1555607","16.133","0.005","13.761","0.004","32.115","0.009","90","","92.117","0.018","90","","7125","4","100","","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C73 H52 Cl9.01 N15 O3 -","- C73.003 H52.003 Cl9.009 N15 O3 -","- C292.012 H208.012 Cl36.036 N60 O12 -","4","1","","Samanta, Jayanta; Natarajan, Ramalingam","Cofacial Organic Click Cage to Intercalate Polycyclic Aromatic Hydrocarbons.","Organic letters","2016","18","14","3394","3397","10.1021/acs.orglett.6b01554","","","0.71073","MoKα","","0.1792","0.1047","","","0.2882","0.3751","","","","","","1.038","","","","has coordinates,has disorder","238939","2020-10-21","18:00:00",""
"1555608","21.861","0.003","15.4737","0.0018","18.6","0.002","90","","98.075","0.007","90","","6229.4","1.3","293","2","293.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C74 H55 Cl2 N15 O3 -","- C74 H55 Cl2 N15 O3 -","- C296 H220 Cl8 N60 O12 -","4","1","","Samanta, Jayanta; Natarajan, Ramalingam","Cofacial Organic Click Cage to Intercalate Polycyclic Aromatic Hydrocarbons.","Organic letters","2016","18","14","3394","3397","10.1021/acs.orglett.6b01554","","","0.71073","MoKα","","0.1604","0.0756","","","0.1847","0.2258","","","","","","1.042","","","","has coordinates","238940","2020-10-21","18:00:00",""
"1555609","10.7998","0.001","20.2414","0.0019","29.845","0.003","90","","91.909","0.005","90","","6520.6","1.1","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C75.47 H59 Cl2.36 N15 O3 -","- C75.475 H59 Cl2.35 N15 O3 -","- C301.9 H236 Cl9.4 N60 O12 -","4","1","","Samanta, Jayanta; Natarajan, Ramalingam","Cofacial Organic Click Cage to Intercalate Polycyclic Aromatic Hydrocarbons.","Organic letters","2016","18","14","3394","3397","10.1021/acs.orglett.6b01554","","","0.71073","MoKα","","0.2334","0.1317","","","0.3508","0.4114","","","","","","1.031","","","","has coordinates,has disorder","238941","2020-10-21","18:00:00",""
"1555610","16.154","0.004","13.571","0.003","31.638","0.006","90","","90.061","0.014","90","","6936","3","293","2","293.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C74 H61 Cl6 N15 O3 -","- C74 H61 Cl6 N15 O3 -","- C296 H244 Cl24 N60 O12 -","4","1","","Samanta, Jayanta; Natarajan, Ramalingam","Cofacial Organic Click Cage to Intercalate Polycyclic Aromatic Hydrocarbons.","Organic letters","2016","18","14","3394","3397","10.1021/acs.orglett.6b01554","","","0.71073","MoKα","","0.2291","0.104","","","0.2792","0.3517","","","","","","1.041","","","","has coordinates,has disorder","238942","2020-10-21","18:00:00",""
"1555611","16.218","0.0016","13.8125","0.0012","31.653","0.003","90","","92.288","0.006","90","","7085","1.1","100","","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C80 H63 Cl6 N15 O3 -","- C80 H63 Cl6 N15 O3 -","- C320 H252 Cl24 N60 O12 -","4","1","","Samanta, Jayanta; Natarajan, Ramalingam","Cofacial Organic Click Cage to Intercalate Polycyclic Aromatic Hydrocarbons.","Organic letters","2016","18","14","3394","3397","10.1021/acs.orglett.6b01554","","","0.71073","MoKα","","0.2277","0.1265","","","0.3332","0.3891","","","","","","1.194","","","","has coordinates,has disorder","238943","2020-10-21","18:00:00",""
"1555612","16.1736","0.0017","13.7072","0.0016","31.887","0.003","90","","92.389","0.006","90","","7063","1.3","100","","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C80 H63 Cl6 N15 O3 -","- C80 H63 Cl6 N15 O3 -","- C320 H252 Cl24 N60 O12 -","4","1","","Samanta, Jayanta; Natarajan, Ramalingam","Cofacial Organic Click Cage to Intercalate Polycyclic Aromatic Hydrocarbons.","Organic letters","2016","18","14","3394","3397","10.1021/acs.orglett.6b01554","","","0.71073","MoKα","","0.3066","0.1179","","","0.2958","0.4008","","","","","","1.025","","","","has coordinates,has disorder","238944","2020-10-21","18:00:00",""
"1555613","10.11","0.002","21.965","0.005","27.902","0.006","99.418","0.011","94.933","0.01","90.93","0.01","6087","2","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C56.75 H41.75 Cl8.25 N15 O3 -","- C56.75 H41.75 Cl8.25 N15 O3 -","- C227 H167 Cl33 N60 O12 -","4","2","","Samanta, Jayanta; Natarajan, Ramalingam","Cofacial Organic Click Cage to Intercalate Polycyclic Aromatic Hydrocarbons.","Organic letters","2016","18","14","3394","3397","10.1021/acs.orglett.6b01554","","","0.71073","MoKα","","0.1818","0.1239","","","0.363","0.4048","","","","","","1.388","","","","has coordinates,has disorder","238945","2020-10-21","18:00:00",""
"1555614","16.056","0.002","13.8514","0.0017","32.082","0.004","90","","91.878","0.007","90","","7131.1","1.5","100","","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C75 H54 Cl9 N15 O3 -","- C75 H54 Cl9 N15 O3 -","- C300 H216 Cl36 N60 O12 -","4","1","","Samanta, Jayanta; Natarajan, Ramalingam","Cofacial Organic Click Cage to Intercalate Polycyclic Aromatic Hydrocarbons.","Organic letters","2016","18","14","3394","3397","10.1021/acs.orglett.6b01554","","","0.71073","MoKα","","0.193","0.098","","","0.2734","0.3441","","","","","","1.075","","","","has coordinates,has disorder","238946","2020-10-21","18:00:00",""
"1555615","16.42","0.014","13.581","0.011","32.38","0.03","90","","92.96","0.03","90","","7211","11","100","","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C71.5 H52.5 Cl10.5 N15 O3 -","- C71.5 H52.5 Cl10.5 N15 O3 -","- C286 H210 Cl42 N60 O12 -","4","1","","Samanta, Jayanta; Natarajan, Ramalingam","Cofacial Organic Click Cage to Intercalate Polycyclic Aromatic Hydrocarbons.","Organic letters","2016","18","14","3394","3397","10.1021/acs.orglett.6b01554","","","0.71073","MoKα","","0.2592","0.0853","","","0.2148","0.2908","","","","","","0.882","","","","has coordinates,has disorder","238947","2020-10-21","18:00:00",""
"1555616","9.7462","0.0004","17.2319","0.0007","23.8323","0.001","90","","90","","90","","4002.5","0.3","100","","100","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C49 H25 F9 -","- C49 H25 F9 -","- C196 H100 F36 -","4","1","","Rao, M. Rajeswara; Johnson, Shea; Perepichka, Dmitrii F.","Aromatization of Benzannulated Perylene-3,9-diones: Unexpected Photophysical Properties and Reactivity.","Organic letters","2016","18","15","3574","3577","10.1021/acs.orglett.6b01559","","x-ray","1.34139","GaKα","","0.0678","0.0528","","","0.1382","0.1454","","","","","","1.065","","","","has coordinates,has disorder","238948","2020-10-21","18:00:00",""
"1555617","9.7084","0.0003","15.1043","0.0009","16.6406","0.0008","90","","90","","90","","2440.2","0.2","101","","101","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","pegaharmine A","","","- C26 H30 N4 O5 -","- C26 H30 N4 O5 -","- C104 H120 N16 O20 -","4","1","","Wang, Kai-Bo; Li, Da-Hong; Hu, Ping; Wang, Wen-Jing; Lin, Clement; Wang, Jian; Lin, Bin; Bai, Jiao; Pei, Yue-Hu; Jing, Yong-Kui; Li, Zhan-Lin; Yang, Danzhou; Hua, Hui-Ming","A Series of β-Carboline Alkaloids from the Seeds of Peganum harmala Show G-Quadruplex Interactions.","Organic letters","2016","18","14","3398","3401","10.1021/acs.orglett.6b01560","","","1.5418","CuKα","","0.0436","0.0402","","","0.0954","0.0982","","","","","","1.039","","","","has coordinates,has disorder","238949","2020-10-21","18:00:00",""
"1555618","9.7136","0.0005","8.3719","0.0005","16.672","0.0009","90","","97.5683","0.0013","90","","1343.98","0.13","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C6 H3 I O2 -","- C6 H3 I O2 -","- C48 H24 I8 O16 -","8","2","","Jardim, Guilherme A. M.; Bower, John F.; da Silva Júnior, Eufrânio N","Rh-Catalyzed Reactions of 1,4-Benzoquinones with Electrophiles: C-H Iodination, Bromination, and Phenylselenation.","Organic letters","2016","18","18","4454","4457","10.1021/acs.orglett.6b01586","","","0.71073","MoKα","","0.0279","0.0203","","","0.0412","0.0435","","","","","","1.035","","","","has coordinates","238950","2020-10-21","18:00:00",""
"1555619","8.0841","0.0002","14.9751","0.0003","6.2629","0.0001","90","","90","","90","","758.19","0.03","100","","100.02","","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C7 H5 I O3 -","- C7 H5 I O3 -","- C28 H20 I4 O12 -","4","1","","Jardim, Guilherme A. M.; Bower, John F.; da Silva Júnior, Eufrânio N","Rh-Catalyzed Reactions of 1,4-Benzoquinones with Electrophiles: C-H Iodination, Bromination, and Phenylselenation.","Organic letters","2016","18","18","4454","4457","10.1021/acs.orglett.6b01586","","","0.71073","MoKα","","0.0189","0.015","","","0.0305","0.0316","","","","","","1.033","","","","has coordinates","238951","2020-10-21","18:00:00",""
"1555620","7.8829","0.0002","8.6055","0.0002","18.1935","0.0004","90","","96.7142","0.0013","90","","1225.72","0.05","100","","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H10 O2 Se -","- C16 H10 O2 Se -","- C64 H40 O8 Se4 -","4","1","","Jardim, Guilherme A. M.; Bower, John F.; da Silva Júnior, Eufrânio N","Rh-Catalyzed Reactions of 1,4-Benzoquinones with Electrophiles: C-H Iodination, Bromination, and Phenylselenation.","Organic letters","2016","18","18","4454","4457","10.1021/acs.orglett.6b01586","","","0.71073","MoKα","","0.0229","0.0192","","","0.0495","0.0506","","","","","","1.067","","","","has coordinates","238952","2020-10-21","18:00:00",""
"1555621","17.814","0.0004","9.6903","0.0002","23.0455","0.0005","90","","90","","90","","3978.18","0.15","290","2","290","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C26 H23 N -","- C26 H23 N -","- C208 H184 N8 -","8","1","","Li, Nan; Lian, Xiao-Lei; Li, Yu-Hui; Wang, Tian-Yi; Han, Zhi-Yong; Zhang, Liming; Gong, Liu-Zhu","Gold-Catalyzed Direct Assembly of Aryl-Annulated Carbazoles from 2-Alkynyl Arylazides and Alkynes.","Organic letters","2016","18","17","4178","4181","10.1021/acs.orglett.6b01627","","","1.54184","CuKα","","0.0953","0.0725","","","0.1737","0.1929","","","","","","1.052","","","","has coordinates","238953","2020-10-21","18:00:00",""
"1555622","5.5711","0.0002","6.5999","0.0002","40.0657","0.0012","90","","90","","90","","1473.16","0.08","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C19 H15 N O S -","- C19 H15 N O S -","- C76 H60 N4 O4 S4 -","4","1","","Ahlemeyer, Nicholas A.; Birman, Vladimir B.","Asymmetric Catalytic Synthesis of Thiochromenes via an Acyl Transfer-Initiated Cascade.","Organic letters","2016","18","14","3454","3457","10.1021/acs.orglett.6b01639","","","0.71073","MoKα","","0.0335","0.0317","","","0.0832","0.0841","","","","","","1.085","","","","has coordinates","238954","2020-10-21","18:00:00",""
"1555623","7.9418","0.0008","9.0278","0.0009","28.012","0.003","90","","90","","90","","2008.4","0.4","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C24 H32 O3 -","- C24 H32 O3 -","- C96 H128 O12 -","4","1","","Ren, Jian; Shi, Xin; Li, Xiao-Nian; Li, Lai-Wei; Su, Jia; Shao, Li-Dong; Zhao, Qin-Shi","Synthesis of a Small-Molecule Library with Skeletal Diversity from Hemslecin A via the Reaction-Discovery Strategy.","Organic letters","2016","18","16","3948","3951","10.1021/acs.orglett.6b01654","","","0.71073","MoKα","","0.0369","0.0346","","","0.0875","0.0891","","","","","","1.073","","","","has coordinates","238955","2020-10-21","18:00:00",""
"1555624","9.4038","0.001","23.797","0.003","9.9633","0.0011","90","","90.656","0.002","90","","2229.5","0.4","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C26 H34 O4 -","- C26 H34 O4 -","- C104 H136 O16 -","4","2","","Ren, Jian; Shi, Xin; Li, Xiao-Nian; Li, Lai-Wei; Su, Jia; Shao, Li-Dong; Zhao, Qin-Shi","Synthesis of a Small-Molecule Library with Skeletal Diversity from Hemslecin A via the Reaction-Discovery Strategy.","Organic letters","2016","18","16","3948","3951","10.1021/acs.orglett.6b01654","","","0.71073","MoKα","","0.0441","0.0394","","","0.0963","0.0992","","","","","","1.028","","","","has coordinates","238956","2020-10-21","18:00:00",""
"1555625","8.352","0.0009","14.9946","0.0017","40.87","0.005","90","","90","","90","","5118.4","1","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C28 H38 O8 -","- C28 H38 O8 -","- C224 H304 O64 -","8","2","","Ren, Jian; Shi, Xin; Li, Xiao-Nian; Li, Lai-Wei; Su, Jia; Shao, Li-Dong; Zhao, Qin-Shi","Synthesis of a Small-Molecule Library with Skeletal Diversity from Hemslecin A via the Reaction-Discovery Strategy.","Organic letters","2016","18","16","3948","3951","10.1021/acs.orglett.6b01654","","","0.71073","MoKα","","0.0593","0.0463","","","0.1112","0.1193","","","","","","1.069","","","","has coordinates","238957","2020-10-21","18:00:00",""
"1555626","7.4728","0.0007","11.6974","0.0011","33.552","0.003","90","","90","","90","","2932.9","0.5","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C31 H46 O8 -","- C31 H46 O8 -","- C124 H184 O32 -","4","1","","Ren, Jian; Shi, Xin; Li, Xiao-Nian; Li, Lai-Wei; Su, Jia; Shao, Li-Dong; Zhao, Qin-Shi","Synthesis of a Small-Molecule Library with Skeletal Diversity from Hemslecin A via the Reaction-Discovery Strategy.","Organic letters","2016","18","16","3948","3951","10.1021/acs.orglett.6b01654","","","0.71073","MoKα","","0.0685","0.0621","","","0.1857","0.1916","","","","","","1.039","","","","has coordinates","238958","2020-10-21","18:00:00",""
"1555627","7.6253","0.001","11.8707","0.0016","16.229","0.002","90","","90.932","0.002","90","","1468.8","0.3","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C29 H40 Cl2 O8 -","- C29 H40 Cl2 O8 -","- C58 H80 Cl4 O16 -","2","1","","Ren, Jian; Shi, Xin; Li, Xiao-Nian; Li, Lai-Wei; Su, Jia; Shao, Li-Dong; Zhao, Qin-Shi","Synthesis of a Small-Molecule Library with Skeletal Diversity from Hemslecin A via the Reaction-Discovery Strategy.","Organic letters","2016","18","16","3948","3951","10.1021/acs.orglett.6b01654","","","0.71073","MoKα","","0.0368","0.0318","","","0.0822","0.0849","","","","","","1.021","","","","has coordinates","238959","2020-10-21","18:00:00",""
"1555628","13.3481","0.0011","15.278","0.0013","36.973","0.003","90","","90","","90","","7540","1.1","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C28 H40 O7 -","- C28 H40 O7 -","- C336 H480 O84 -","12","3","","Ren, Jian; Shi, Xin; Li, Xiao-Nian; Li, Lai-Wei; Su, Jia; Shao, Li-Dong; Zhao, Qin-Shi","Synthesis of a Small-Molecule Library with Skeletal Diversity from Hemslecin A via the Reaction-Discovery Strategy.","Organic letters","2016","18","16","3948","3951","10.1021/acs.orglett.6b01654","","","0.71073","MoKα","","0.0528","0.0429","","","0.0984","0.1037","","","","","","1.044","","","","has coordinates","238960","2020-10-21","18:00:00",""
"1555629","9.3211","0.0016","11.4032","0.0019","26.089","0.004","90","","90","","90","","2773","0.8","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C28 H44 O9 -","- C28 H44 O9 -","- C112 H176 O36 -","4","1","","Ren, Jian; Shi, Xin; Li, Xiao-Nian; Li, Lai-Wei; Su, Jia; Shao, Li-Dong; Zhao, Qin-Shi","Synthesis of a Small-Molecule Library with Skeletal Diversity from Hemslecin A via the Reaction-Discovery Strategy.","Organic letters","2016","18","16","3948","3951","10.1021/acs.orglett.6b01654","","","0.71073","MoKα","","0.0532","0.0383","","","0.0921","0.0984","","","","","","1.029","","","","has coordinates","238961","2020-10-21","18:00:00",""
"1555630","26.073","0.006","7.8003","0.0019","29.094","0.007","90","","91.171","0.004","90","","5916","2","100","2","100","2","","","","","","","","3","C 1 2 1","C 2y","5","","","","- C28 H40 O9 -","- C28 H38 O9 -","- C224 H304 O72 -","8","2","","Ren, Jian; Shi, Xin; Li, Xiao-Nian; Li, Lai-Wei; Su, Jia; Shao, Li-Dong; Zhao, Qin-Shi","Synthesis of a Small-Molecule Library with Skeletal Diversity from Hemslecin A via the Reaction-Discovery Strategy.","Organic letters","2016","18","16","3948","3951","10.1021/acs.orglett.6b01654","","","0.71073","MoKα","","0.1352","0.1209","","","0.3218","0.3308","","","","","","1.072","","","","has coordinates","238962","2020-10-21","18:00:00",""
"1555631","6.2298","0.0014","12.745","0.003","12.605","0.003","90","","99.799","0.003","90","","986.2","0.4","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C24 H30 O3 -","- C24 H30 O3 -","- C48 H60 O6 -","2","1","","Ren, Jian; Shi, Xin; Li, Xiao-Nian; Li, Lai-Wei; Su, Jia; Shao, Li-Dong; Zhao, Qin-Shi","Synthesis of a Small-Molecule Library with Skeletal Diversity from Hemslecin A via the Reaction-Discovery Strategy.","Organic letters","2016","18","16","3948","3951","10.1021/acs.orglett.6b01654","","","0.71073","MoKα","","0.0496","0.0415","","","0.1064","0.1118","","","","","","1.02","","","","has coordinates","238963","2020-10-21","18:00:00",""
"1555632","12.5299","0.0004","11.0917","0.0004","15.3671","0.0006","90","","90","","90","","2135.69","0.13","123","","123","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C12 H13 N O3 -","- C12 H13 N O3 -","- C96 H104 N8 O24 -","8","1","","Patzelt, Christoph; Pöthig, Alexander; Gulder, Tanja","Iodine(III)-Catalyzed Cascade Reactions Enabling a Direct Access to β-Lactams and α-Hydroxy-β-amino Acids.","Organic letters","2016","18","14","3466","3469","10.1021/acs.orglett.6b01658","","x-ray","0.71073","MoKα","","0.053","0.0399","","","0.0968","0.1045","","","","","","1.018","","","","has coordinates","238964","2020-10-21","18:00:00",""
"1555633","5.767","0.0008","26.604","0.004","17.464","0.002","90","","96.051","0.002","90","","2664.5","0.6","100","2","100","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C33 H32 N2 O2 Pt -","- C33 H32 N2 O2 Pt -","- C132 H128 N8 O8 Pt4 -","4","1","","Saris, Patrick J. G.; Thompson, Mark E.","Gram Scale Synthesis of Benzophenanthroline and Its Blue Phosphorescent Platinum Complex.","Organic letters","2016","18","16","3960","3963","10.1021/acs.orglett.6b01693","","","0.71073","MoKα","","0.0499","0.0349","","","0.056","0.0592","","","","","","0.967","","","","has coordinates","238965","2020-10-21","18:00:00",""
"1555634","9.5057","0.0005","14.8773","0.0007","11.4295","0.0006","90","","110.562","0.001","90","","1513.38","0.13","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C22 H14 N2 -","- C22 H14 N2 -","- C88 H56 N8 -","4","1","","Saris, Patrick J. G.; Thompson, Mark E.","Gram Scale Synthesis of Benzophenanthroline and Its Blue Phosphorescent Platinum Complex.","Organic letters","2016","18","16","3960","3963","10.1021/acs.orglett.6b01693","","","0.71073","MoKα","","0.0572","0.0429","","","0.1121","0.1232","","","","","","1.028","","","","has coordinates","238966","2020-10-21","18:00:00",""
"1555635","9.01057","0.00016","10.9727","0.0002","17.5326","0.0004","90","","90","","90","","1733.45","0.06","93","","93","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C20 H26 N2 O2 -","- C20 H26 N2 O2 -","- C80 H104 N8 O8 -","4","1","","Tokuda, Ryoko; Okamoto, Yoshiki; Koyama, Tetsuya; Kogure, Noriyuki; Kitajima, Mariko; Takayama, Hiromitsu","Asymmetric Total Synthesis of Kopsiyunnanine K, a Monoterpenoid Indole Alkaloid with a Rearranged Skeleton.","Organic letters","2016","18","14","3490","3493","10.1021/acs.orglett.6b01704","","","1.54187","CuKα","","","0.0345","","","","0.0793","","","","","","1.08","","","","has coordinates","238967","2020-10-21","18:00:00",""
"1555636","12.558","0.004","14.18","0.004","26.385","0.008","90","","102.72","0.005","90","","4583","2","93","","93","2","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","","","","- C35 H22 -","- C35 H22 -","- C280 H176 -","8","2","","Oyama, Hiromi; Akiyama, Midori; Nakano, Koji; Naito, Masanobu; Nobusawa, Kazuyuki; Nozaki, Kyoko","Synthesis and Properties of [7]Helicene-like Compounds Fused with a Fluorene Unit.","Organic letters","2016","18","15","3654","3657","10.1021/acs.orglett.6b01708","","","0.71075","MoKα","","0.0985","0.0817","","","0.1464","0.154","","","","","","1.257","","","","has coordinates","238968","2020-10-21","18:00:00",""
"1555637","13.816","0.002","13.862","0.003","19.248","0.004","90","","90","","90","","3686.3","1.2","293","2","293","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C29 H16 O -","- C29 H16 O -","- C232 H128 O8 -","8","1","","Oyama, Hiromi; Akiyama, Midori; Nakano, Koji; Naito, Masanobu; Nobusawa, Kazuyuki; Nozaki, Kyoko","Synthesis and Properties of [7]Helicene-like Compounds Fused with a Fluorene Unit.","Organic letters","2016","18","15","3654","3657","10.1021/acs.orglett.6b01708","","","0.71075","MoKα","","0.0439","0.0394","","","0.1259","0.1324","","","","","","1.071","","","","has coordinates","238969","2020-10-21","18:00:00",""
"1555638","9.8499","0.0002","11.1882","0.0002","24.6237","0.0004","90","","90","","90","","2713.6","0.09","296","2","296","2","","","","","","","","2","P 21 21 21","P 2ac 2ab","19","","","","- C41 H26 -","- C41 H26 -","- C164 H104 -","4","1","","Oyama, Hiromi; Akiyama, Midori; Nakano, Koji; Naito, Masanobu; Nobusawa, Kazuyuki; Nozaki, Kyoko","Synthesis and Properties of [7]Helicene-like Compounds Fused with a Fluorene Unit.","Organic letters","2016","18","15","3654","3657","10.1021/acs.orglett.6b01708","","","1.54187","CuKα","","0.1146","0.0758","","","0.1882","0.2675","","","","","","1.777","","","","has coordinates","238970","2020-10-21","18:00:00",""
"1555639","15.3059","0.0008","12.1881","0.0006","9.628","0.0006","90","","90","","90","","1796.1","0.17","293.6","0.1","293.6","0.1","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C24 H17 N O -","- C24 H17 N O -","- C96 H68 N4 O4 -","4","1","","Chen, Si; Wu, Xin-Xing; Wang, Jia; Hao, Xin-Hua; Xia, Yu; Shen, Yi; Jing, Huanwang; Liang, Yong-Min","Palladium-Catalyzed Intramolecular Dearomatization of Indoles via Decarboxylative Alkynyl Termination.","Organic letters","2016","18","16","4016","4019","10.1021/acs.orglett.6b01711","","x-ray","0.71073","MoKα","","0.0727","0.0499","","","0.105","0.122","","","","","","1.067","","","","has coordinates","238971","2020-10-21","18:00:00",""
"1555640","8.0776","0.0015","24.432","0.005","11.904","0.002","90","","108.916","0.004","90","","2222.4","0.7","133","2","133","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C22 H29 N2 O4.5 S -","- C22 H29 N2 O4.5 S -","- C88 H116 N8 O18 S4 -","4","2","","Lan, Xiaoyu; Tao, Chuangan; Liu, Xuliang; Zhang, Aina; Zhao, Baoguo","Asymmetric Transamination of α-Keto Acids Catalyzed by Chiral Pyridoxamines.","Organic letters","2016","18","15","3658","3661","10.1021/acs.orglett.6b01714","","","0.71073","MoKα","","0.0772","0.0684","","","0.1828","0.1903","","","","","","1.053","","","","has coordinates","274176","2022-03-31","10:10:26",""
"1555641","11.9912","0.0007","15.1463","0.0007","9.459","0.0006","90","","111.614","0.007","90","","1597.17","0.17","170.2","","170.2","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C17 H15 F N2 O3 S -","- C17 H15 F N2 O3 S -","- C68 H60 F4 N8 O12 S4 -","4","1","","Qian, Jing; Sheng, Guorong; Huang, Kai; Liu, Shaojie; Lu, Ping; Wang, Yanguang","α-Amidino Rhodium Carbenes: Key Intermediates for the Preparation of (E)-2-Aminomethylene-3-oxoindoles and Pyranoindoles.","Organic letters","2016","18","15","3682","3685","10.1021/acs.orglett.6b01728","","","0.71073","MoKα","","0.0679","0.0514","","","0.135","0.1483","","","","","","1.052","","","","has coordinates","238973","2020-10-21","18:00:00",""
"1555642","5.5675","0.0005","8.631","0.0006","19.5676","0.0016","77.417","0.006","83.698","0.007","82.645","0.006","906.89","0.13","293","2","293.15","","","","","","","","","5","P -1","-P 1","2","","","","- C20 H20 N2 O3 S -","- C20 H20 N2 O3 S -","- C40 H40 N4 O6 S2 -","2","1","","Qian, Jing; Sheng, Guorong; Huang, Kai; Liu, Shaojie; Lu, Ping; Wang, Yanguang","α-Amidino Rhodium Carbenes: Key Intermediates for the Preparation of (E)-2-Aminomethylene-3-oxoindoles and Pyranoindoles.","Organic letters","2016","18","15","3682","3685","10.1021/acs.orglett.6b01728","","","0.71073","MoKα","","0.0778","0.0545","","","0.1337","0.1507","","","","","","1.026","","","","has coordinates","238974","2020-10-21","18:00:00",""
"1555643","7.3603","0.0003","7.543","0.0004","17.2163","0.0009","87.384","0.005","86.032","0.004","74.912","0.005","920.29","0.08","170.1","","170.1","","","","","","","","","5","P -1","-P 1","2","","","","- C21 H18 N2 O4 S -","- C21 H18 N2 O4 S -","- C42 H36 N4 O8 S2 -","2","1","","Qian, Jing; Sheng, Guorong; Huang, Kai; Liu, Shaojie; Lu, Ping; Wang, Yanguang","α-Amidino Rhodium Carbenes: Key Intermediates for the Preparation of (E)-2-Aminomethylene-3-oxoindoles and Pyranoindoles.","Organic letters","2016","18","15","3682","3685","10.1021/acs.orglett.6b01728","","","0.71073","MoKα","","0.0547","0.0422","","","0.1036","0.1145","","","","","","1.052","","","","has coordinates","238975","2020-10-21","18:00:00",""
"1555644","14.438","0.0005","8.4217","0.0003","17.3621","0.0006","90","","93.541","0.002","90","","2107.07","0.13","90","","90","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C20 H24 F4 N2 O2 Zn -","- C20 H26 F4 N2 O2 Zn -","- C80 H104 F16 N8 O8 Zn4 -","4","1","","Aikawa, Kohsuke; Serizawa, Hiroki; Ishii, Koki; Mikami, Koichi","Palladium-Catalyzed Negishi Cross-Coupling Reaction of Aryl Halides with (Difluoromethyl)zinc Reagent.","Organic letters","2016","18","15","3690","3693","10.1021/acs.orglett.6b01734","","","1.54178","CuKα","","0.039","0.0306","","","0.0722","0.0759","","","","","","1.039","","","","has coordinates","238976","2020-10-21","18:00:00",""
"1555645","5.0975","0.0001","10.807","0.0001","40.2707","0.0004","90","","90","","90","","2218.46","0.05","133","2","133","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C28 H29 N O2 -","- C28 H29 N O2 -","- C112 H116 N4 O8 -","4","1","","Li, Wenbo; Yu, Xiuzhao; Yue, Zhenting; Zhang, Junliang","Asymmetric Construction of 2,3-Dihydroisoxazoles via an Organocatalytic Formal [3 + 2] Cycloaddition of Enynes with N-Hydroxylamines.","Organic letters","2016","18","16","3972","3975","10.1021/acs.orglett.6b01737","","","1.54178","CuKα","","0.0308","0.0303","","","0.0782","0.0787","","","","","","1.035","","","","has coordinates","238977","2020-10-21","18:00:00",""
"1555646","7.2743","0.0005","10.1737","0.0007","32.241","0.002","90","","90","","90","","2386","0.3","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C27 H22 Cl2 O6 -","- C27 H22 Cl2 O6 -","- C108 H88 Cl8 O24 -","4","1","","Ashtekar, Kumar Dilip; Ding, Xinliang; Toma, Edmond; Sheng, Wei; Gholami, Hadi; Rahn, Christopher; Reed, Paul; Borhan, Babak","Mechanistically Inspired Route toward Hexahydro-2H-chromenes via Consecutive [4 + 2] Cycloadditions.","Organic letters","2016","18","16","3976","3979","10.1021/acs.orglett.6b01742","","","0.71073","MoKα","","0.0719","0.0462","","","0.1005","0.1237","","","","","","1.036","","","","has coordinates","238978","2020-10-21","18:00:00",""
"1555647","10.9256","0.0004","14.7077","0.0004","19.6645","0.0008","90","","90","","90","","3159.9","0.19","173","2","173","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C31 H32 Cl4 O8 -","- C31 H32 Cl4 O8 -","- C124 H128 Cl16 O32 -","4","1","","Ashtekar, Kumar Dilip; Ding, Xinliang; Toma, Edmond; Sheng, Wei; Gholami, Hadi; Rahn, Christopher; Reed, Paul; Borhan, Babak","Mechanistically Inspired Route toward Hexahydro-2H-chromenes via Consecutive [4 + 2] Cycloadditions.","Organic letters","2016","18","16","3976","3979","10.1021/acs.orglett.6b01742","","","1.54178","CuKα","","0.0953","0.0631","","","0.1459","0.1646","","","","","","1.011","","","","has coordinates","238979","2020-10-21","18:00:00",""
"1555648","14.246","0.015","9.001","0.009","14.506","0.014","90","","89.933","0.012","90","","1860","3","173","","173","","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C10 H7 B F2 N2 O -","- C10 H7 B F2 N2 O -","- C80 H56 B8 F16 N16 O8 -","8","2","","Miura, Wataru; Hirano, Koji; Miura, Masahiro","Rhodium-Catalyzed C6-Selective C-H Borylation of 2-Pyridones.","Organic letters","2016","18","15","3742","3745","10.1021/acs.orglett.6b01762","","","0.71075","MoKα","","","0.0513","","","","0.105","","","","","","1.025","","","","has coordinates","238980","2020-10-21","18:00:00",""
"1555649","10.4857","0.0015","10.8482","0.001","14.0338","0.0011","70.4935","0.001","89.135","0.016","89.14","0.02","1504.5","0.3","173","","173","","","","","","","","","5","P -1","-P 1","2","","","","- C16 H19 B N2 O3 -","- C16 H19 B N2 O3 -","- C64 H76 B4 N8 O12 -","4","2","","Miura, Wataru; Hirano, Koji; Miura, Masahiro","Rhodium-Catalyzed C6-Selective C-H Borylation of 2-Pyridones.","Organic letters","2016","18","15","3742","3745","10.1021/acs.orglett.6b01762","","","0.71075","MoKα","","","0.0581","","","","0.1459","","","","","","1.101","","","","has coordinates","238981","2020-10-21","18:00:00",""
"1555650","8.41","0.01","11.941","0.014","13.209","0.016","74.04","0.02","89.25","0.03","85.17","0.03","1271","3","173","","173","","","","","","","","","4","P -1","-P 1","2","","","","- C16 H12 N2 O -","- C16 H12 N2 O -","- C64 H48 N8 O4 -","4","2","","Miura, Wataru; Hirano, Koji; Miura, Masahiro","Rhodium-Catalyzed C6-Selective C-H Borylation of 2-Pyridones.","Organic letters","2016","18","15","3742","3745","10.1021/acs.orglett.6b01762","","","0.71075","MoKα","","","0.0753","","","","0.1707","","","","","","0.981","","","","has coordinates","238982","2020-10-21","18:00:00",""
"1555651","8.5007","0.0009","10.25","0.0012","11.2985","0.0015","75.804","0.01","70.345","0.011","81.631","0.009","896.6","0.2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C17 H20 F N O4 S -","- C17 H20 F N O4 S -","- C34 H40 F2 N2 O8 S2 -","2","1","","Chang, Jian; Liu, Bangyu; Yang, Yang; Wang, Mang","Pd-Catalyzed C-S Activation/Isocyanide Insertion/Hydrogenation Enables a Selective Aerobic Oxidation/Cyclization.","Organic letters","2016","18","16","3984","3987","10.1021/acs.orglett.6b01780","","","0.71073","MoKα","","0.0749","0.0532","","","0.1305","0.1505","","","","","","1.024","","","","has coordinates,has disorder","238983","2020-10-21","18:00:00",""
"1555652","8.4205","0.0009","19.329","0.002","10.1617","0.0011","90","","103.506","0.002","90","","1608.2","0.3","296","2","296","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C19 H18 O5 -","- C19 H18 O5 -","- C76 H72 O20 -","4","1","","Shu, Wen-Ming; Zheng, Kai-Lu; Ma, Jun-Rui; Wu, An-Xin","Transition-Metal-Free Coupling Annulation of Arynes with Ketones and Alkynoates: Assembly of Functionalized Naphthalenes.","Organic letters","2016","18","15","3762","3765","10.1021/acs.orglett.6b01782","","","0.71073","MoKα","","0.0592","0.0438","","","0.1318","0.1468","","","","","","1.081","","","","has coordinates,has disorder","238984","2020-10-21","18:00:00",""
"1555653","5.6316","0.0004","8.8731","0.0006","13.3605","0.0007","76.69","0.003","87.767","0.003","85.418","0.003","647.47","0.07","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H13 N3 O S -","- C14 H13 N3 O S -","- C28 H26 N6 O2 S2 -","2","1","","Bongers, Amanda; Ranasinghe, Indee; Lemire, Philippe; Perozzo, Alyssa; Vincent-Rocan, Jean-François; Beauchemin, André M","Synthesis of Cyclic Azomethine Imines by Cycloaddition Reactions of N-Isocyanates and N-Isothiocyanates.","Organic letters","2016","18","15","3778","3781","10.1021/acs.orglett.6b01788","","","0.71073","MoKα","","0.0602","0.0415","","","0.1131","0.1199","","","","","","1.055","","","","has coordinates","238985","2020-10-21","18:00:00",""
"1555654","9.9759","0.0002","13.6806","0.0003","17.6508","0.0004","109.19","0.0019","96.4682","0.0017","98.2575","0.0016","2218.3","0.09","150","","150","","","","","","","","","3","P -1","-P 1","2","","","","- C27 H28 O3 -","- C27 H28 O3 -","- C108 H112 O12 -","4","2","","Nugent, Jeremy; Banwell, Martin G.; Schwartz, Brett D.","Total Synthesis of the Illicium-Derived Sesquineolignan Simonsol C.","Organic letters","2016","18","15","3798","3801","10.1021/acs.orglett.6b01799","","","1.54184","CuKα","","0.0607","0.0522","","0.1428","0.1343","0.1428","","","","","","0.9906","","","","has coordinates","238986","2020-10-21","18:00:00",""
"1555655","28.619","0.003","13.5049","0.0014","11.3279","0.0011","90","","101.05","0.002","90","","4297","0.8","123","2","123","2","","","","","","","","2","C 1 c 1","C -2yc","9","","","","- C36 H18 -","- C36 H18 -","- C288 H144 -","8","2","","Fujikawa, Takao; Preda, Dorin V.; Segawa, Yasutomo; Itami, Kenichiro; Scott, Lawrence T.","Corannulene-Helicene Hybrids: Chiral π-Systems Comprising Both Bowl and Helical Motifs.","Organic letters","2016","18","16","3992","3995","10.1021/acs.orglett.6b01801","","","0.71075","MoKα","","0.0406","0.033","","","0.0811","0.0893","","","","","","1.047","","","","has coordinates","238987","2020-10-21","18:00:00",""
"1555656","15.924","0.003","5.6656","0.0011","18.306","0.004","90","","114.74","0.03","90","","1500","0.6","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C16 H12 Br F3 O -","- C16 H12 Br F3 O -","- C64 H48 Br4 F12 O4 -","4","1","","Zhu, Chuanle; Chen, Pengquan; Wu, Wanqing; Qi, Chaorong; Ren, Yanwei; Jiang, Huanfeng","Transition-Metal-Free Diastereoselective Epoxidation of Trifluoromethylketones with N-Tosylhydrazones: Access to Tetrasubstituted Trifluoromethylated Oxiranes.","Organic letters","2016","18","16","4008","4011","10.1021/acs.orglett.6b01824","","","0.71073","MoKα","","0.0989","0.0587","","","0.1545","0.2007","","","","","","0.977","","","","has coordinates","238988","2020-10-21","18:00:00",""
"1555657","19.793","0.004","22.357","0.005","32.252","0.007","90","","92.9","0.03","90","","14254","5","100","0.2","100","0.2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C90 H188 Cd1.5 Cl4 N60 O79 -","- C90 H90 Cd1.572 Cl4 N60 O32 -","- C360 H360 Cd6.288 Cl16 N240 O128 -","4","1","","Li, Qing; Qiu, Sheng-Chao; Zhang, Jing; Chen, Kai; Huang, Ying; Xiao, Xin; Zhang, Yingjie; Li, Feng; Zhang, Yun-Qian; Xue, Sai-Feng; Zhu, Qian-Jiang; Tao, Zhu; Lindoy, Leonard F.; Wei, Gang","Twisted Cucurbit[n]urils.","Organic letters","2016","18","16","4020","4023","10.1021/acs.orglett.6b01842","","","0.71073","silicondoublecrystalmonochromatedsynchrotron","","0.1276","0.0929","","","0.2599","0.2824","","","","","","1.06","","","","has coordinates","238989","2020-10-21","18:00:00",""
"1555658","18.217","0.004","52.952","0.011","17.532","0.004","90","","110.13","0.03","90","","15879","7","100","0.2","100","0.2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C156 H286 Cd7 Cl20 Dy2 N104 O133 -","- C156 H156 Cd7 Cl20 Dy2 N104 O68 -","- C312 H312 Cd14 Cl40 Dy4 N208 O136 -","2","0.5","","Li, Qing; Qiu, Sheng-Chao; Zhang, Jing; Chen, Kai; Huang, Ying; Xiao, Xin; Zhang, Yingjie; Li, Feng; Zhang, Yun-Qian; Xue, Sai-Feng; Zhu, Qian-Jiang; Tao, Zhu; Lindoy, Leonard F.; Wei, Gang","Twisted Cucurbit[n]urils.","Organic letters","2016","18","16","4020","4023","10.1021/acs.orglett.6b01842","","","0.71073","silicondoublecrystalmonochromatedsynchrotron","","0.1117","0.1048","","","0.2967","0.3015","","","","","","1.069","","","","has coordinates","238990","2020-10-21","18:00:00",""
"1555659","6.9891","0.0006","17.3736","0.0017","8.347","0.0008","90","","105.219","0.003","90","","978","0.16","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C21 H22 O7 -","- C21 H22 O7 -","- C42 H44 O14 -","2","1","","Zhou, Jinchuan; Zhang, Jiaozhen; Li, Ruijuan; Liu, Jun; Fan, Peihong; Li, Yi; Ji, Mei; Dong, Yiwen; Yuan, Huiqing; Lou, Hongxiang","Hapmnioides A-C, Rearranged Labdane-Type Diterpenoids from the Chinese Liverwort Haplomitrium mnioides.","Organic letters","2016","18","17","4274","4276","10.1021/acs.orglett.6b01854","","","1.54178","CuKα","","0.0517","0.044","","","0.1105","0.1174","","","","","","1.044","","","","has coordinates","238991","2020-10-21","18:00:00",""
"1555660","10.2949","0.0004","10.4128","0.0005","16.2831","0.0007","90","","90","","90","","1745.53","0.13","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C20 H20 O6 -","- C20 H20 O6 -","- C80 H80 O24 -","4","1","","Zhou, Jinchuan; Zhang, Jiaozhen; Li, Ruijuan; Liu, Jun; Fan, Peihong; Li, Yi; Ji, Mei; Dong, Yiwen; Yuan, Huiqing; Lou, Hongxiang","Hapmnioides A-C, Rearranged Labdane-Type Diterpenoids from the Chinese Liverwort Haplomitrium mnioides.","Organic letters","2016","18","17","4274","4276","10.1021/acs.orglett.6b01854","","","1.54178","CuKα","","0.0529","0.0436","","","0.0989","0.1071","","","","","","1.026","","","","has coordinates","238992","2020-10-21","18:00:00",""
"1555661","11.2411","0.0008","11.9761","0.0009","19.9127","0.0014","100.2","0.006","94.644","0.006","113.781","0.007","2379.6","0.3","289.7","0.8","289.7","0.8","","","","","","","","3","P -1","-P 1","2","","","","- C31 H26 O -","- C31 H26 O -","- C124 H104 O4 -","4","2","","Han, Ya-Ping; Song, Xian-Rong; Qiu, Yi-Feng; Li, Xue-Song; Zhang, Heng-Rui; Zhu, Xin-Yu; Liu, Xue-Yuan; Liang, Yong-Min","Lewis Acid Catalyzed Cyclization of Propargylic Alcohols with 2-Vinylphenol.","Organic letters","2016","18","15","3866","3869","10.1021/acs.orglett.6b01875","","x-ray","0.71","MoKα","","0.1852","0.0728","","","0.1406","0.2031","","","","","","1.021","","","","has coordinates","238993","2020-10-21","18:00:00",""
"1555662","4.0802","0.0008","11.717","0.003","15.719","0.003","92.244","0.018","94.916","0.016","98.11","0.018","740.2","0.3","293.64","0.1","293.64","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C12.67 H8.67 Cl0.67 N1.33 -","- C12.6667 H8.66667 Cl0.666667 N1.33333 -","- C38 H26 Cl2 N4 -","3","1.5","","Mou, Xue-Qing; Xu, Zheng-Liang; Xu, Li; Wang, Shao-Hua; Zhang, Bang-Hong; Zhang, Di; Wang, Jie; Liu, Wei-Ting; Bao, Wen","The Synthesis of Multisubstituted Pyrroles via a Copper-Catalyzed Tandem Three-Component Reaction.","Organic letters","2016","18","16","4032","4035","10.1021/acs.orglett.6b01883","","x-ray","0.71073","MoKα","","0.0959","0.0584","","","0.1109","0.1382","","","","","","1.054","","","","has coordinates","238994","2020-10-21","18:00:00",""
"1555663","9.834","0.002","10.604","0.003","16.861","0.004","85.889","0.007","78.666","0.006","81.528","0.006","1703.5","0.7","93","","93","","","","","","","","","6","P -1","-P 1","2","","","","- C35 H40 Cl2 N4 P2 Ru -","- C35 H40 Cl2 N4 P2 Ru -","- C70 H80 Cl4 N8 P4 Ru2 -","2","1","","Ogata, Osamu; Nakayama, Yuji; Nara, Hideki; Fujiwhara, Mitsuhiko; Kayaki, Yoshihito","Atmospheric Hydrogenation of Esters Catalyzed by PNP-Ruthenium Complexes with an N-Heterocyclic Carbene Ligand.","Organic letters","2016","18","15","3894","3897","10.1021/acs.orglett.6b01900","","","0.71075","MoKα","","","0.0369","","","","0.0958","","","","","","1","","","","has coordinates","238995","2020-10-21","18:00:00",""
"1555664","19.082","0.005","19.769","0.005","29.22","0.008","90.481","0.004","100.258","0.003","92.601","0.004","10834","5","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C100 H72.78 Br8 Cl10.5 O15.5 -","- C100 H73.788 Br8 Cl10.5 O15.5 -","- C400 H295.152 Br32 Cl42 O62 -","4","2","","Hillyer, Matthew B.; Gibb, Corinne L. D.; Sokkalingam, Punidha; Jordan, Jacobs H.; Ioup, Sarah E.; Mague, Joel T.; Gibb, Bruce C.","Synthesis of Water-Soluble Deep-Cavity Cavitands.","Organic letters","2016","18","16","4048","4051","10.1021/acs.orglett.6b01903","","","0.71073","MoKα","","0.25","0.1494","","","0.3563","0.3799","","","","","","1.822","","","","has coordinates,has disorder","238996","2020-10-21","18:00:00",""
"1555665","6.3412","0.0001","17.9097","0.0001","23.6648","0.0001","90","","90","","90","","2687.59","0.05","290","2","290","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C30 H46 O3 -","- C30 H46 O3 -","- C120 H184 O12 -","4","1","","Zhang, Ya-Long; Chen, Chen; Wang, Xiao-Bing; Wu, Lin; Yang, Ming-Hua; Luo, Jun; Zhang, Can; Sun, Hong-Bin; Luo, Jian-Guang; Kong, Ling-Yi","Rhodomyrtials A and B, Two Meroterpenoids with a Triketone-Sesquiterpene-Triketone Skeleton from Rhodomyrtus tomentosa: Structural Elucidation and Biomimetic Synthesis.","Organic letters","2016","18","16","4068","4071","10.1021/acs.orglett.6b01944","","","1.54184","CuKα","","0.0351","0.0347","","","0.0953","0.0957","","","","","","1.029","","","","has coordinates","238997","2020-10-21","18:00:00",""
"1555666","9.6502","0.0003","13.9527","0.0006","31.7405","0.001","90","","90","","90","","4273.7","0.3","290","2","290","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C45 H68 O6 -","- C45 H68 O6 -","- C180 H272 O24 -","4","1","","Zhang, Ya-Long; Chen, Chen; Wang, Xiao-Bing; Wu, Lin; Yang, Ming-Hua; Luo, Jun; Zhang, Can; Sun, Hong-Bin; Luo, Jian-Guang; Kong, Ling-Yi","Rhodomyrtials A and B, Two Meroterpenoids with a Triketone-Sesquiterpene-Triketone Skeleton from Rhodomyrtus tomentosa: Structural Elucidation and Biomimetic Synthesis.","Organic letters","2016","18","16","4068","4071","10.1021/acs.orglett.6b01944","","","1.54184","CuKα","","0.0804","0.0546","","","0.1469","0.1857","","","","","","1.04","","","","has coordinates","238998","2020-10-21","18:00:00",""
"1555667","11.1615","0.0002","15.7291","0.0002","16.8829","0.0003","90","","105.689","0.002","90","","2853.54","0.09","290","2","290","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C30 H46 O3 -","- C30 H46 O3 -","- C120 H184 O12 -","4","2","","Zhang, Ya-Long; Chen, Chen; Wang, Xiao-Bing; Wu, Lin; Yang, Ming-Hua; Luo, Jun; Zhang, Can; Sun, Hong-Bin; Luo, Jian-Guang; Kong, Ling-Yi","Rhodomyrtials A and B, Two Meroterpenoids with a Triketone-Sesquiterpene-Triketone Skeleton from Rhodomyrtus tomentosa: Structural Elucidation and Biomimetic Synthesis.","Organic letters","2016","18","16","4068","4071","10.1021/acs.orglett.6b01944","","","1.54184","CuKα","","0.0466","0.0447","","","0.1257","0.1309","","","","","","1.054","","","","has coordinates","238999","2020-10-21","18:00:00",""
"1555668","9.9104","0.0001","10.8418","0.0001","26.6369","0.0002","90","","90","","90","","2862.04","0.04","290","2","290","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C30 H46 O3 -","- C30 H46 O3 -","- C120 H184 O12 -","4","1","","Zhang, Ya-Long; Chen, Chen; Wang, Xiao-Bing; Wu, Lin; Yang, Ming-Hua; Luo, Jun; Zhang, Can; Sun, Hong-Bin; Luo, Jian-Guang; Kong, Ling-Yi","Rhodomyrtials A and B, Two Meroterpenoids with a Triketone-Sesquiterpene-Triketone Skeleton from Rhodomyrtus tomentosa: Structural Elucidation and Biomimetic Synthesis.","Organic letters","2016","18","16","4068","4071","10.1021/acs.orglett.6b01944","","","1.54184","CuKα","","0.0769","0.0714","","","0.1541","0.1573","","","","","","1.041","","","","has coordinates,has disorder","239000","2020-10-21","18:00:00",""
"1555669","11.9618","0.0001","20.1271","0.0002","23.2612","0.0003","90","","90","","90","","5600.28","0.1","290","2","290","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C30 H46 O3 -","- C30 H46 O3 -","- C240 H368 O24 -","8","2","","Zhang, Ya-Long; Chen, Chen; Wang, Xiao-Bing; Wu, Lin; Yang, Ming-Hua; Luo, Jun; Zhang, Can; Sun, Hong-Bin; Luo, Jian-Guang; Kong, Ling-Yi","Rhodomyrtials A and B, Two Meroterpenoids with a Triketone-Sesquiterpene-Triketone Skeleton from Rhodomyrtus tomentosa: Structural Elucidation and Biomimetic Synthesis.","Organic letters","2016","18","16","4068","4071","10.1021/acs.orglett.6b01944","","","1.54184","CuKα","","0.0447","0.0425","","","0.1176","0.1206","","","","","","1.025","","","","has coordinates","239001","2020-10-21","18:00:00",""
"1555670","20.6774","0.0002","5.6019","0.0001","25.4783","0.0002","90","","90.3838","0.0008","90","","2951.15","0.06","150","","150","","","","","","","","local","4","P 1 21 1","P 2yb","4","","","","- C57 H77 Cl3 O22 -","- C57 H77 Cl3 O22 -","- C114 H154 Cl6 O44 -","2","1","","Ma, Xiang; Bolte, Benoit; Banwell, Martin G.; Willis, Anthony C.","Total Syntheses of the Resorcylic Acid Lactones Paecilomycin F and Cochliomycin C Using an Intramolecular Loh-Type α-Allylation Reaction for Macrolide Formation.","Organic letters","2016","18","17","4226","4229","10.1021/acs.orglett.6b01963","","","1.54184","CuKα","","0.0432","0.0413","","0.1171","0.1155","0.1171","","","","","","1.0219","","","","has coordinates","288308","2023-12-14","13:15:21",""
"1555671","16.1117","0.0002","9.544","0.0001","19.5581","0.0003","90","","111.371","0.001","90","","2800.66","0.07","200","1","200","1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C31 H34 O2 Si2 -","- C31 H34 O2 Si2 -","- C124 H136 O8 Si8 -","4","1","","Rivera-Hernández, Alejandro; Fallon, Brendan J.; Ventre, Sandrine; Simon, Cédric; Tremblay, Marie-Hélène; Gontard, Geoffrey; Derat, Etienne; Amatore, Muriel; Aubert, Corinne; Petit, Marc","Regio- and Stereoselective Hydrosilylation of Unsymmetrical Alkynes Catalyzed by a Well-Defined, Low-Valent Cobalt Catalyst.","Organic letters","2016","18","17","4242","4245","10.1021/acs.orglett.6b01987","","","0.71073","MoKα","","0.0539","0.0389","","","0.1088","0.1248","","","","","","1.032","","","","has coordinates","239003","2020-10-21","18:00:00",""
"1555672","9.1784","0.0002","9.8895","0.0002","17.0426","0.0004","95.596","0.002","105.569","0.002","90.183","0.002","1482.39","0.06","200","1","200","1","","","","","","","","4","P -1","-P 1","2","","","","- C34 H34 O Si2 -","- C34 H34 O Si2 -","- C68 H68 O2 Si4 -","2","1","","Rivera-Hernández, Alejandro; Fallon, Brendan J.; Ventre, Sandrine; Simon, Cédric; Tremblay, Marie-Hélène; Gontard, Geoffrey; Derat, Etienne; Amatore, Muriel; Aubert, Corinne; Petit, Marc","Regio- and Stereoselective Hydrosilylation of Unsymmetrical Alkynes Catalyzed by a Well-Defined, Low-Valent Cobalt Catalyst.","Organic letters","2016","18","17","4242","4245","10.1021/acs.orglett.6b01987","","","0.71073","MoKα","","0.0494","0.0437","","","0.109","0.1154","","","","","","1.04","","","","has coordinates","239003","2020-10-21","18:00:00",""
"1555673","14.788","0.0003","10.1322","0.0002","18.5936","0.0004","90","","106.521","0.002","90","","2670.95","0.1","200","1","200","1","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C34 H30 Si -","- C34 H30 Si -","- C136 H120 Si4 -","4","1","","Rivera-Hernández, Alejandro; Fallon, Brendan J.; Ventre, Sandrine; Simon, Cédric; Tremblay, Marie-Hélène; Gontard, Geoffrey; Derat, Etienne; Amatore, Muriel; Aubert, Corinne; Petit, Marc","Regio- and Stereoselective Hydrosilylation of Unsymmetrical Alkynes Catalyzed by a Well-Defined, Low-Valent Cobalt Catalyst.","Organic letters","2016","18","17","4242","4245","10.1021/acs.orglett.6b01987","","","0.71073","MoKα","","0.0553","0.0416","","","0.1075","0.1193","","","","","","1.047","","","","has coordinates","239003","2020-10-21","18:00:00",""
"1555674","10.203","0.002","12.287","0.003","14.177","0.003","90","","90.025","0.003","90","","1777.3","0.7","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C17 H24 B Br O3 -","- C17 H24 B Br O3 -","- C68 H96 B4 Br4 O12 -","4","2","","Xie, Jian-Bo; Lin, Siqi; Qiao, Shuo; Li, Guigen","Asymmetric Catalytic Enantio- and Diastereoselective Boron Conjugate Addition Reactions of α-Functionalized α,β-Unsaturated Carbonyl Substrates.","Organic letters","2016","18","15","3926","3929","10.1021/acs.orglett.6b01998","","","0.71073","MoKα","","0.0327","0.0322","","","0.0789","0.0792","","","","","","1.022","","","","has coordinates","239004","2020-10-21","18:00:00",""
"1555675","9.1643","0.0018","8.51","0.0017","18.787","0.004","90","","97.46","0.03","90","","1452.8","0.5","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C15 H17 F4 N3 -","- C15 H17 F4 N3 -","- C60 H68 F16 N12 -","4","1","","Shmatova, Olga I.; Khrustalev, Victor N.; Nenajdenko, Valentine G.","From Cyclic CF3-ketimines to a Family of Trifluoromethylated Nazlinine and Trypargine Analogues.","Organic letters","2016","18","18","4494","4497","10.1021/acs.orglett.6b02031","","","0.9699","synchrotron","","0.0621","0.0512","","","0.1263","0.1376","","","","","","1.011","","","","has coordinates","239005","2020-10-21","18:00:00",""
"1555676","7.1533","0.0015","10.925","0.002","12.115","0.003","75.115","0.003","77.43","0.003","81.256","0.003","888.4","0.3","110","2","110","2","","","","","","","","3","P -1","-P 1","2","","","","- C23 H25 N -","- C23 H25 N -","- C46 H50 N2 -","2","1","","Morrison, Alec E.; Hrudka, Jeremy J.; Dudley, Gregory B.","Thermal Cycloisomerization of Putative Allenylpyridines for the Synthesis of Isoquinoline Derivatives.","Organic letters","2016","18","16","4104","4107","10.1021/acs.orglett.6b02034","","","0.71073","MoKα","","0.1067","0.057","","","0.1558","0.1898","","","","","","1.03","","","","has coordinates","239006","2020-10-21","18:00:00",""
"1555677","6.7657","0.0002","12.1602","0.0003","16.0507","0.0004","90","","90","","90","","1320.53","0.06","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C14 H14 N2 O4 -","- C14 H14 N2 O4 -","- C56 H56 N8 O16 -","4","1","","Mondal, Mukulesh; Wheeler, Kraig A.; Kerrigan, Nessan J.","Alkaloid-Catalyzed Enantioselective [3 + 2] Cycloaddition of Ketenes and Azomethine Imines.","Organic letters","2016","18","16","4108","4111","10.1021/acs.orglett.6b02038","","","1.54178","CuKα","","0.0275","0.0261","","","0.0692","0.0702","","","","","","1.054","","","","has coordinates","239007","2020-10-21","18:00:00",""
"1555678","6.7037","0.0002","8.7886","0.0002","21.923","0.0007","90","","90","","90","","1291.62","0.06","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C14 H16 N2 O3 -","- C14 H16 N2 O3 -","- C56 H64 N8 O12 -","4","1","","Mondal, Mukulesh; Wheeler, Kraig A.; Kerrigan, Nessan J.","Alkaloid-Catalyzed Enantioselective [3 + 2] Cycloaddition of Ketenes and Azomethine Imines.","Organic letters","2016","18","16","4108","4111","10.1021/acs.orglett.6b02038","","","1.54178","CuKα","","0.0294","0.0282","","","0.0713","0.072","","","","","","1.076","","","","has coordinates","239008","2020-10-21","18:00:00",""
"1555679","5.9791","0.0004","10.7506","0.0009","17.3037","0.0015","73.509","0.007","81.064","0.006","73.991","0.006","1021.56","0.15","293","2","293.15","","","","","","","","","5","P -1","-P 1","2","","","","- C24 H19 Cl O3 S -","- C24 H19 Cl O3 S -","- C48 H38 Cl2 O6 S2 -","2","1","","Miao, Maozhong; Luo, Yi; Xu, Huaping; Chen, Zhengkai; Xu, Jianfeng; Ren, Hongjun","Solvent-Controlled, Tunable Hydrosulfonylation of 3-Cyclopropylideneprop-2-en-1-ones.","Organic letters","2016","18","17","4292","4295","10.1021/acs.orglett.6b02047","","","0.71073","MoKα","","0.0754","0.0468","","","0.0914","0.1084","","","","","","1.066","","","","has coordinates","239009","2020-10-21","18:00:00",""
"1555680","16.1137","0.0008","6.3712","0.0003","38.874","0.003","90","","92.022","0.006","90","","3988.5","0.4","171.3","","170","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C24 H20 O3 S -","- C24 H20 O3 S -","- C192 H160 O24 S8 -","8","2","","Miao, Maozhong; Luo, Yi; Xu, Huaping; Chen, Zhengkai; Xu, Jianfeng; Ren, Hongjun","Solvent-Controlled, Tunable Hydrosulfonylation of 3-Cyclopropylideneprop-2-en-1-ones.","Organic letters","2016","18","17","4292","4295","10.1021/acs.orglett.6b02047","","","0.71073","MoKα","","0.0758","0.0542","","","0.0992","0.1104","","","","","","1.054","","","","has coordinates","239010","2020-10-21","18:00:00",""
"1555681","9.4486","0.0003","11.0765","0.0003","16.057","0.0005","73.497","0.002","87.912","0.002","72.63","0.002","1535.63","0.08","100","2","100.15","","","","","","","","","6","P 1","P 1","1","","","","- C27.5 H23.5 Br Cl1.5 N2 O8 -","- C27.5 H23.5 Br Cl1.5 N2 O8 -","- C55 H47 Br2 Cl3 N4 O16 -","2","2","","Bender, Trandon A.; Dabrowski, Jennifer A.; Zhong, Hongyu; Gagné, Michel R","Diastereoselective B(C6F5)3-Catalyzed Reductive Carbocyclization of Unsaturated Carbohydrates.","Organic letters","2016","18","16","4120","4123","10.1021/acs.orglett.6b02050","","","1.54178","CuKα","","0.0549","0.0462","","","0.1161","0.1215","","","","","","1.034","","","","has coordinates","239011","2020-10-21","18:00:00",""
"1555682","5.804","0.0002","7.1933","0.0002","15.2241","0.0005","90","","94.904","0.001","90","","633.28","0.03","100.15","","100.15","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C13 H17 Br O3 -","- C13 H17 Br O3 -","- C26 H34 Br2 O6 -","2","1","","Bender, Trandon A.; Dabrowski, Jennifer A.; Zhong, Hongyu; Gagné, Michel R","Diastereoselective B(C6F5)3-Catalyzed Reductive Carbocyclization of Unsaturated Carbohydrates.","Organic letters","2016","18","16","4120","4123","10.1021/acs.orglett.6b02050","","","1.54178","CuKα","","0.0207","0.0206","","","0.0523","0.0524","","","","","","1.113","","","","has coordinates","239012","2020-10-21","18:00:00",""
"1555683","27.853","0.002","15.8192","0.0009","16.3354","0.0009","90","","93.008","0.005","90","","7187.7","0.8","100","2","100","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C35 H40 O10 -","- C35 H40 O10 -","- C280 H320 O80 -","8","1","","Dyadyuk, Alina; Sudheendran, Kavitha; Vainer, Yulia; Vershinin, Vlada; Shames, Alexander I.; Pappo, Doron","Direct Synthesis of Polyaryls by Consecutive Oxidative Cross-Coupling of Phenols with Arenes.","Organic letters","2016","18","17","4324","4327","10.1021/acs.orglett.6b02064","","","0.71073","MoKα","","0.0818","0.0588","","","0.1434","0.1525","","","","","","1.087","","","","has coordinates","239013","2020-10-21","18:00:00",""
"1555684","41.1943","0.0008","41.1943","0.0008","4.9303","0.0004","90","","90","","120","","7245.7","0.6","123","","123","","","","","","","","","5","R -3 :H","-R 3","148","","","","- C32 H28 F6 N4 S2 -","- C32 H28 F6 N4 S2 -","- C288 H252 F54 N36 S18 -","9","0.5","","Ie, Yutaka; Uchida, Ayana; Kawaguchi, Nana; Nitani, Masashi; Tada, Hirokazu; Kakiuchi, Fumitoshi; Aso, Yoshio","Electron-Accepting π-Conjugated Molecules with Fluorine-Containing Dicyanovinylidene as Terminal Groups: Synthesis, Properties, and Semiconducting Characteristics.","Organic letters","2016","18","17","4320","4323","10.1021/acs.orglett.6b02070","","","1.54187","CuKα","","0.0951","0.0708","","","0.1818","0.1927","","","","","","1.106","","","","has coordinates","239014","2020-10-21","18:00:00",""
"1555685","9.3041","0.00017","17.8786","0.0004","26.0132","0.0019","90","","94.968","0.007","90","","4310.9","0.3","123","","123","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C45 H28 F18 N4 S2 -","- C45 H28 F18 N4 S2 -","- C180 H112 F72 N16 S8 -","4","1","","Ie, Yutaka; Uchida, Ayana; Kawaguchi, Nana; Nitani, Masashi; Tada, Hirokazu; Kakiuchi, Fumitoshi; Aso, Yoshio","Electron-Accepting π-Conjugated Molecules with Fluorine-Containing Dicyanovinylidene as Terminal Groups: Synthesis, Properties, and Semiconducting Characteristics.","Organic letters","2016","18","17","4320","4323","10.1021/acs.orglett.6b02070","","","1.54187","CuKα","","","0.0692","","","","0.1951","","","","","","1.216","","","","has coordinates","239015","2020-10-21","18:00:00",""
"1555686","11.286","0.0002","12.0729","0.0002","13.6655","0.001","86.182","0.006","69.301","0.005","85.413","0.006","1734.75","0.15","123","","123","","","","","","","","","5","P -1","-P 1","2","","","","- C39 H28 F6 N4 S2 -","- C39 H28 F6 N4 S2 -","- C78 H56 F12 N8 S4 -","2","1","","Ie, Yutaka; Uchida, Ayana; Kawaguchi, Nana; Nitani, Masashi; Tada, Hirokazu; Kakiuchi, Fumitoshi; Aso, Yoshio","Electron-Accepting π-Conjugated Molecules with Fluorine-Containing Dicyanovinylidene as Terminal Groups: Synthesis, Properties, and Semiconducting Characteristics.","Organic letters","2016","18","17","4320","4323","10.1021/acs.orglett.6b02070","","","1.54187","CuKα","","0.0618","0.0548","","","0.1479","0.1535","","","","","","1.015","","","","has coordinates","239016","2020-10-21","18:00:00",""
"1555687","7.4804","0.00011","10.4902","0.00019","18.4048","0.0003","90","","90","","90","","1444.24","0.04","294.1","0.5","294.1","0.5","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H23 N O2 -","- C16 H23 N O2 -","- C64 H92 N4 O8 -","4","1","","Ma, Donghui; Zhong, Zhuliang; Liu, Zaimin; Zhang, Mingjie; Xu, Shiyan; Xu, Dengyu; Song, Dengpeng; Xie, Xingang; She, Xuegong","Protecting-Group-Free Total Synthesis of (-)-Lycopodine via Phosphoric Acid Promoted Alkyne Aza-Prins Cyclization.","Organic letters","2016","18","17","4328","4331","10.1021/acs.orglett.6b02072","","x-ray","1.54184","CuKα","","0.0522","0.0513","","","0.1299","0.1317","","","","","","1.107","","","","has coordinates","239017","2020-10-21","18:00:00",""
"1555688","10.9468","0.0004","13.1316","0.0005","19.8805","0.0008","90","","90","","90","","2857.8","0.19","296.71","0.1","296.71","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H23 N O2 -","- C16 H23 N O2 -","- C128 H184 N8 O16 -","8","2","","Ma, Donghui; Zhong, Zhuliang; Liu, Zaimin; Zhang, Mingjie; Xu, Shiyan; Xu, Dengyu; Song, Dengpeng; Xie, Xingang; She, Xuegong","Protecting-Group-Free Total Synthesis of (-)-Lycopodine via Phosphoric Acid Promoted Alkyne Aza-Prins Cyclization.","Organic letters","2016","18","17","4328","4331","10.1021/acs.orglett.6b02072","","x-ray","1.54184","CuKα","","0.0442","0.0395","","","0.0987","0.1037","","","","","","1.056","","","","has coordinates","239018","2020-10-21","18:00:00",""
"1555689","7.6484","0.0007","7.0465","0.0006","10.9071","0.0009","90","","98.254","0.009","90","","581.74","0.09","293.42","0.1","293.42","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C13 H19 N O2 -","- C13 H19 N O2 -","- C26 H38 N2 O4 -","2","1","","Ma, Donghui; Zhong, Zhuliang; Liu, Zaimin; Zhang, Mingjie; Xu, Shiyan; Xu, Dengyu; Song, Dengpeng; Xie, Xingang; She, Xuegong","Protecting-Group-Free Total Synthesis of (-)-Lycopodine via Phosphoric Acid Promoted Alkyne Aza-Prins Cyclization.","Organic letters","2016","18","17","4328","4331","10.1021/acs.orglett.6b02072","","x-ray","0.71073","MoKα","","0.0469","0.0417","","","0.0952","0.0995","","","","","","1.099","","","","has coordinates","239019","2020-10-21","18:00:00",""
"1555690","9.672","0.004","25.53","0.009","9.182","0.003","90","","90","","90","","2267.3","1.4","293","2","293","2","","","","","","","see text","5","P n a 21","P 2c -2n","33","","","","- C27 H24 F N O2 -","- C27 H24 F N O2 -","- C108 H96 F4 N4 O8 -","4","1","","Rajesh, Manda; Puri, Surendra; Kant, Ruchir; Sridhar Reddy, Maddi","Synthesis of Substituted Furan/Pyrrole-3-carboxamides through a Tandem Nucleopalladation and Isocyanate Insertion.","Organic letters","2016","18","17","4332","4335","10.1021/acs.orglett.6b02077","","","0.71075","MoKα","","0.1138","0.0591","","","0.1207","0.1367","","","","","","0.839","","","","has coordinates","239020","2020-10-21","18:00:00",""
"1555691","7.1372","0.0004","12.6521","0.0007","31.0391","0.0017","90","","90","","90","","2802.8","0.3","173","","173","","","","","","","","","6","P b c a","-P 2ac 2ab","61","ThioBr2","","","- C9 H16 B Br2 P S -","- C9 H16 B Br2 P S -","- C72 H128 B8 Br16 P8 S8 -","8","1","","Imamoto, Tsuneo; Horiuchi, Yumi; Tamura, Ken; Sugiya, Masashi; Masu, Hyuma","Catalyst-Free and Regioconvergent Substitution Reactions of Bromothiophenes with a BH3-Substituted Phosphide Anion.","Organic letters","2016","18","16","4132","4135","10.1021/acs.orglett.6b02094","","","0.71073","MoKα","","0.0514","0.0335","","","0.0714","0.077","","","","","","1.024","","","","has coordinates","239021","2020-10-21","18:00:00",""
"1555692","10.1556","0.0006","12.2943","0.0007","11.2898","0.0006","90","","101.946","0.0007","90","","1379.07","0.13","173","","173","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","3-4Br2","","","- C9 H16 B Br2 P S -","- C9 H16 B Br2 P S -","- C36 H64 B4 Br8 P4 S4 -","4","1","","Imamoto, Tsuneo; Horiuchi, Yumi; Tamura, Ken; Sugiya, Masashi; Masu, Hyuma","Catalyst-Free and Regioconvergent Substitution Reactions of Bromothiophenes with a BH3-Substituted Phosphide Anion.","Organic letters","2016","18","16","4132","4135","10.1021/acs.orglett.6b02094","","","0.71073","MoKα","","0.036","0.0274","","","0.0621","0.0649","","","","","","1.03","","","","has coordinates","239022","2020-10-21","18:00:00",""
"1555693","11.3376","0.0003","9.2055","0.0002","14.8038","0.0004","90","","106.365","0.001","90","","1482.45","0.07","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C36 H36 N2 O3 -","- C36 H36 N2 O3 -","- C72 H72 N4 O6 -","2","1","","Zhang, Jia-Xing; Wang, Hong-Yu; Jin, Qiao-Wen; Zheng, Chang-Wu; Zhao, Gang; Shang, Yong-Jia","Thiourea-Quaternary Ammonium Salt Catalyzed Asymmetric 1, 3-Dipolar Cycloaddition of Imino Esters To Construct Spiro[pyrrolidin-3,3'-oxindoles].","Organic letters","2016","18","19","4774","4777","10.1021/acs.orglett.6b02098","","","1.54178","CuKα","","0.0309","0.0294","","","0.0751","0.0764","","","","","","1.045","","","","has coordinates","239023","2020-10-21","18:00:00",""
"1555694","32.3","0.02","4.861","0.003","20.038","0.013","90","","126.539","0.017","90","","2528","3","296","2","296","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C16 H13 N O2 -","- C16 H15 N O2 -","- C128 H120 N8 O16 -","8","2","","Feng, Minghao; Tang, Bingqing; Xu, Hong-Xi; Jiang, Xuefeng","Collective Synthesis of Phenanthridinone through C-H Activation Involving a Pd-Catalyzed Aryne Multicomponent Reaction.","Organic letters","2016","18","17","4352","4355","10.1021/acs.orglett.6b02109","","","0.71073","MoKα","","0.1241","0.0541","","","0.11","0.1432","","","","","","0.983","","","","has coordinates","239024","2020-10-21","18:00:00",""
"1555695","8.4147","0.0007","9.8374","0.001","20.9238","0.0019","90","","90","","90","","1732","0.3","290.53","0.1","290.53","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C19 H19 Cl O3 -","- C19 H19 Cl O3 -","- C76 H76 Cl4 O12 -","4","1","","Su, Yan; Li, Qing-Fang; Zhao, Yu-Ming; Gu, Peiming","Preparation of Optically Active cis-Cyclopropane Carboxylates: Cyclopropanation of α-Silyl Stryenes with Aryldiazoacetates and Desilylation of the Resulting Silyl Cyclopropanes.","Organic letters","2016","18","17","4356","4359","10.1021/acs.orglett.6b02117","","x-ray","0.71073","MoKα","","0.0878","0.0586","","","0.1244","0.1599","","","","","","1.096","","","","has coordinates","239025","2020-10-21","18:00:00",""
"1555696","8.9734","0.0005","9.5887","0.0008","24.3831","0.0016","90","","90","","90","","2098","0.3","294.29","0.1","294.29","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C21 H25 Br O2 Si -","- C21 H25 Br O2 Si -","- C84 H100 Br4 O8 Si4 -","4","1","","Su, Yan; Li, Qing-Fang; Zhao, Yu-Ming; Gu, Peiming","Preparation of Optically Active cis-Cyclopropane Carboxylates: Cyclopropanation of α-Silyl Stryenes with Aryldiazoacetates and Desilylation of the Resulting Silyl Cyclopropanes.","Organic letters","2016","18","17","4356","4359","10.1021/acs.orglett.6b02117","","","0.71073","MoKα","","0.0939","0.055","","","0.0975","0.1135","","","","","","1.051","","","","has coordinates","239026","2020-10-21","18:00:00",""
"1555697","8.115","0.003","9.202","0.003","10.049","0.004","99.389","0.005","94.177","0.005","102.638","0.005","717.8","0.5","273","2","273","2","","","","","","","","3","P -1","-P 1","2","","","","- C17 H14 O5 -","- C17 H14 O5 -","- C34 H28 O10 -","2","1","","Xiang, Jia-Chen; Cheng, Yan; Wang, Miao; Wu, Yan-Dong; Wu, An-Xin","Direct Construction of 4-Hydroxybenzils via Para-Selective C-C Bond Coupling of Phenols and Aryl Methyl Ketones.","Organic letters","2016","18","17","4360","4363","10.1021/acs.orglett.6b02118","","","0.71073","MoKα","","0.0932","0.0662","","","0.1997","0.2499","","","","","","1.042","","","","has coordinates","239027","2020-10-21","18:00:00",""
"1555698","13.771","0.005","8.568","0.003","20.892","0.008","90","","100.249","0.006","90","","2425.7","1.5","100","2","100","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C15 H12 O3 -","- C15 H12 O3 -","- C120 H96 O24 -","8","1","","Xiang, Jia-Chen; Cheng, Yan; Wang, Miao; Wu, Yan-Dong; Wu, An-Xin","Direct Construction of 4-Hydroxybenzils via Para-Selective C-C Bond Coupling of Phenols and Aryl Methyl Ketones.","Organic letters","2016","18","17","4360","4363","10.1021/acs.orglett.6b02118","","","0.71073","MoKα","","0.0842","0.0618","","","0.1716","0.1859","","","","","","1.079","","","","has coordinates","277994","2022-09-20","08:32:41",""
"1555699","7.9918","0.0016","8.696","0.0017","22.75","0.005","90","","98.022","0.003","90","","1565.6","0.6","273","2","273","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C20 H16 O3 -","- C20 H16 O3 -","- C80 H64 O12 -","4","1","","Xiang, Jia-Chen; Cheng, Yan; Wang, Miao; Wu, Yan-Dong; Wu, An-Xin","Direct Construction of 4-Hydroxybenzils via Para-Selective C-C Bond Coupling of Phenols and Aryl Methyl Ketones.","Organic letters","2016","18","17","4360","4363","10.1021/acs.orglett.6b02118","","","0.71073","MoKα","","0.0823","0.0463","","","0.1304","0.1534","","","","","","0.993","","","","has coordinates","239029","2020-10-21","18:00:00",""
"1555700","10.3757","0.0002","11.5557","0.0002","24.7257","0.0004","90","","90","","90","","2964.57","0.09","200","2","200","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C23 H43 N2 O10 P S -","- C23 H43 N2 O10 P S -","- C92 H172 N8 O40 P4 S4 -","4","1","","Lin, Long-Zhi; Fang, Jim-Min","Total Synthesis of Anti-Influenza Agents Zanamivir and Zanaphosphor via Asymmetric Aza-Henry Reaction.","Organic letters","2016","18","17","4400","4403","10.1021/acs.orglett.6b02131","","","1.54178","CuKα","","0.062","0.0525","","","0.1386","0.1507","","","","","","1.027","","","","has coordinates","239031","2020-10-21","18:00:00",""
"1555701","10.1789","0.0003","11.9132","0.0004","18.0755","0.0007","90","","90","","90","","2191.89","0.13","295","2","295","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C16 H30 N2 O7 S -","- C16 H30 N2 O7 S -","- C64 H120 N8 O28 S4 -","4","1","","Lin, Long-Zhi; Fang, Jim-Min","Total Synthesis of Anti-Influenza Agents Zanamivir and Zanaphosphor via Asymmetric Aza-Henry Reaction.","Organic letters","2016","18","17","4400","4403","10.1021/acs.orglett.6b02131","","","1.54178","CuKα","","0.0605","0.0497","","","0.1257","0.136","","","","","","1.021","","","","has coordinates","239032","2020-10-21","18:00:00",""
"1555702","10.2553","0.0004","11.3826","0.0004","23.6017","0.0009","90","","90","","90","","2755.07","0.18","200","2","200","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C22 H38 N2 O9 S -","- C22 H38 N2 O9 S -","- C88 H152 N8 O36 S4 -","4","1","","Lin, Long-Zhi; Fang, Jim-Min","Total Synthesis of Anti-Influenza Agents Zanamivir and Zanaphosphor via Asymmetric Aza-Henry Reaction.","Organic letters","2016","18","17","4400","4403","10.1021/acs.orglett.6b02131","","","1.54178","CuKα","","0.063","0.0476","","","0.115","0.1286","","","","","","1.009","","","","has coordinates","239033","2020-10-21","18:00:00",""
"1555703","8.5903","0.0001","9.1195","0.0001","17.5588","0.0002","90","","90","","90","","1375.54","0.03","296","","296","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H21 N O2 -","- C16 H21 N O2 -","- C64 H84 N4 O8 -","4","1","","Tang, Yu; Xiong, Juan; Zhang, Jing-Jing; Wang, Wei; Zhang, Hai-Yan; Hu, Jin-Feng","Annotinolides A-C, Three Lycopodane-Derived 8,5-Lactones with Polycyclic Skeletons from Lycopodium annotinum.","Organic letters","2016","18","17","4376","4379","10.1021/acs.orglett.6b02132","","","1.54178","CuKα","","0.0518","0.0482","","","0.1399","0.1489","","","","","","1.08","","","","has coordinates","239034","2020-10-21","18:00:00",""
"1555704","8.7114","0.0002","9.1691","0.0002","16.9047","0.0005","90","","90","","90","","1350.27","0.06","296","2","296","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H21 N O2 -","- C16 H21 N O2 -","- C64 H84 N4 O8 -","4","1","","Tang, Yu; Xiong, Juan; Zhang, Jing-Jing; Wang, Wei; Zhang, Hai-Yan; Hu, Jin-Feng","Annotinolides A-C, Three Lycopodane-Derived 8,5-Lactones with Polycyclic Skeletons from Lycopodium annotinum.","Organic letters","2016","18","17","4376","4379","10.1021/acs.orglett.6b02132","","","1.54178","CuKα","","0.0349","0.0343","","","0.092","0.0925","","","","","","1.051","","","","has coordinates","239035","2020-10-21","18:00:00",""
"1555705","7.8847","0.0004","12.731","0.0006","13.5189","0.0007","90","","90","","90","","1357.03","0.12","296","","296","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H19 N O4 -","- C16 H19 N O4 -","- C64 H76 N4 O16 -","4","1","","Tang, Yu; Xiong, Juan; Zhang, Jing-Jing; Wang, Wei; Zhang, Hai-Yan; Hu, Jin-Feng","Annotinolides A-C, Three Lycopodane-Derived 8,5-Lactones with Polycyclic Skeletons from Lycopodium annotinum.","Organic letters","2016","18","17","4376","4379","10.1021/acs.orglett.6b02132","","","1.54178","CuKα","","0.034","0.0327","","","0.0875","0.0885","","","","","","1.039","","","","has coordinates","239036","2020-10-21","18:00:00",""
"1555706","8.7313","0.0001","10.0431","0.0001","14.6801","0.0002","90","","90","","90","","1287.29","0.03","130","","130","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H21 N O2 -","- C16 H21 N O2 -","- C64 H84 N4 O8 -","4","1","","Tang, Yu; Xiong, Juan; Zhang, Jing-Jing; Wang, Wei; Zhang, Hai-Yan; Hu, Jin-Feng","Annotinolides A-C, Three Lycopodane-Derived 8,5-Lactones with Polycyclic Skeletons from Lycopodium annotinum.","Organic letters","2016","18","17","4376","4379","10.1021/acs.orglett.6b02132","","","1.54178","CuKα","","0.0351","0.0347","","","0.0879","0.0885","","","","","","1.102","","","","has coordinates","239037","2020-10-21","18:00:00",""
"1555707","11.087","0.005","7.621","0.003","12.555","0.005","90","","112.697","0.006","90","","978.7","0.7","120","","120","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C26 H22 Si -","- C26 H22 Si -","- C52 H44 Si2 -","2","1","","Murai, Masahito; Okada, Ryo; Nishiyama, Atsushi; Takai, Kazuhiko","Synthesis and Properties of Sila[n]helicenes via Dehydrogenative Silylation of C-H Bonds under Rhodium Catalysis.","Organic letters","2016","18","17","4380","4383","10.1021/acs.orglett.6b02134","","","0.71075","MoKα","","0.0342","0.0319","","","0.0841","0.0852","","","","","","1.065","","","","has coordinates","239038","2020-10-21","18:00:00",""
"1555708","14.58554","0.00008","8.33918","0.00005","25.4351","0.0002","90","","90","","90","","3093.71","0.03","99.95","0.16","99.95","0.16","","","","","","","","3","P n a 21","P 2c -2n","33","","2-(2,6-Diisopropylphenyl)-2H-benzotriazole","","- C18 H21 N3 -","- C18 H21 N3 -","- C144 H168 N24 -","8","2","","Kim, Seyong; Jo, Junyong; Lee, Dongwhan","Conformationally Distorted π-Conjugation for Reaction-Based Detection of Nickel: Fluorescence Turn-on by Twist-and-Fragment.","Organic letters","2016","18","18","4530","4533","10.1021/acs.orglett.6b02140","","x-ray","1.54184","CuKα","","0.0324","0.032","","","0.0864","0.087","","","","","","1.045","","","","has coordinates","239039","2020-10-21","18:00:00",""
"1555709","45.749","0.003","10.2559","0.0007","26.996","0.002","90","","122.902","0.002","90","","10634.8","1.3","173","2","173","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C58 H47 Cl2 F6 P3 Pd3 -","- C58 H47 Cl2 F6 P3 Pd3 -","- C464 H376 Cl16 F48 P24 Pd24 -","8","1","","Deng, Xiao-Yun; Lin, Jin-Hong; Xiao, Ji-Chang","Pd-Catalyzed Transfer of Difluorocarbene.","Organic letters","2016","18","17","4384","4387","10.1021/acs.orglett.6b02141","","","0.71073","MoKα","","0.0357","0.0259","","","0.0693","0.0744","","","","","","1.067","","","","has coordinates","239040","2020-10-21","18:00:00",""
"1555710","12.021","0.002","3.7932","0.0006","23.197","0.004","90","","90.203","0.007","90","","1057.7","0.3","160","2","160","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C14 H8 F N O2 -","- C14 H8 F N O2 -","- C56 H32 F4 N4 O8 -","4","1","","Verma, Ajay; Kumar, Sangit","Selective Oxidative Decarbonylative Cleavage of Unstrained C(sp(3))-C(sp(2)) Bond: Synthesis of Substituted Benzoxazinones.","Organic letters","2016","18","17","4388","4391","10.1021/acs.orglett.6b02142","","x-ray","0.71073","MoKα","","0.1254","0.0595","","","0.1089","0.1284","","","","","","1.024","","","","has coordinates","239041","2020-10-21","18:00:00",""
"1555711","3.8804","0.0007","7.5188","0.0014","43.727","0.009","90","","90","","90","","1275.8","0.4","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C14 H7 Br N2 O4 -","- C14 H7 Br N2 O4 -","- C56 H28 Br4 N8 O16 -","4","1","","Verma, Ajay; Kumar, Sangit","Selective Oxidative Decarbonylative Cleavage of Unstrained C(sp(3))-C(sp(2)) Bond: Synthesis of Substituted Benzoxazinones.","Organic letters","2016","18","17","4388","4391","10.1021/acs.orglett.6b02142","","x-ray","0.71073","MoKα","","0.098","0.0494","","","0.0638","0.0712","","","","","","1.013","","","","has coordinates","239042","2020-10-21","18:00:00",""
"1555712","14.8278","0.001","15.0838","0.001","20.0662","0.0012","108.103","0.003","97.486","0.003","103.078","0.003","4056.5","0.5","133","2","133","2","","","","","","","","5","P -1","-P 1","2","","","","- C91 H86 Cl6 N6 O7 -","- C90 H85 Cl3 N6 O7 -","- C180 H170 Cl6 N12 O14 -","2","1","","Yeon, Yerim; Leem, Soojung; Wagen, Corin; Lynch, Vincent M.; Kim, Sung Kuk; Sessler, Jonathan L.","3-(Dicyanomethylidene)indan-1-one-Functionalized Calix[4]arene-Calix[4]pyrrole Hybrid: An Ion-Pair Sensor for Cesium Salts.","Organic letters","2016","18","17","4396","4399","10.1021/acs.orglett.6b02155","","","0.71073","MoKα","","0.1144","0.0624","","","0.153","0.1829","","","","","","1.019","","","","has coordinates,has disorder","239043","2020-10-21","18:00:00",""
"1555713","20.026","0.004","36.681","0.007","14.516","0.003","90","","110.35","0.03","90","","9998","4","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C108 H103 N9 O6 S -","- C108 H103 N9 O6 S -","- C432 H412 N36 O24 S4 -","4","1","","Jeon, Hae-Geun; Jang, Han Bit; Kang, Philjae; Choi, Ye Rin; Kim, Junyoung; Lee, Ji Hyun; Choi, Moon-Gun; Jeong, Kyu-Sung","Helical Aromatic Foldamers Functioning as a Fluorescence Turn-on Probe for Anions.","Organic letters","2016","18","17","4404","4407","10.1021/acs.orglett.6b02156","","","0.7","synchrotron","","0.1202","0.0776","","","0.2128","0.237","","","","","","1.02","","","","has coordinates,has disorder","239044","2020-10-21","18:00:00",""
"1555714","16.057","0.003","36.163","0.007","40.408","0.008","90","","90","","90","","23464","8","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C112 H114 N8 O8 -","- C112 H114 N8 O8 -","- C896 H912 N64 O64 -","8","1","","Jeon, Hae-Geun; Jang, Han Bit; Kang, Philjae; Choi, Ye Rin; Kim, Junyoung; Lee, Ji Hyun; Choi, Moon-Gun; Jeong, Kyu-Sung","Helical Aromatic Foldamers Functioning as a Fluorescence Turn-on Probe for Anions.","Organic letters","2016","18","17","4404","4407","10.1021/acs.orglett.6b02156","","","0.7","synchrotron","","0.1341","0.0733","","","0.1887","0.213","","","","","","0.958","","","","has coordinates,has disorder","239045","2020-10-21","18:00:00",""
"1555715","8.9435","0.0001","8.7011","0.0001","9.261","0.0002","90","","99.32","0.001","90","","711.162","0.019","200","1","200","1","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C13 H24 O4 -","- C13 H24 O4 -","- C26 H48 O8 -","2","1","","Cornil, Johan; Echeverria, Pierre-Georges; Reymond, Sébastien; Phansavath, Phannarath; Ratovelomanana-Vidal, Virginie; Guérinot, Amandine; Cossy, Janine","Synthetic Studies toward the C14-C29 Fragment of Mirabalin.","Organic letters","2016","18","18","4534","4537","10.1021/acs.orglett.6b02162","","","1.54178","CuKα","","0.0309","0.0308","","","0.0842","0.0845","","","","","","1.043","","","","has coordinates,has disorder","239046","2020-10-21","18:00:00",""
"1555716","11.851","0.003","12.377","0.004","11.931","0.003","90","","108.65","0.03","90","","1658.1","0.9","90","2","90","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H12 Br2 N4 -","- C19 H12 Br2 N4 -","- C76 H48 Br8 N16 -","4","1","","Ghorbani, Mahdi; Mohammadi, Bagher; Saraii, Mahnaz; Masoumi, Bakhshali; Abbasian, Mojtaba; Ramazani, Ali; Slepokura, Katarzyna; Lis, Tadeusz","A Three-Component Reaction for the Synthesis of 1-Azabicyclo[3.1.0]hexane-3-enes.","Organic letters","2016","18","19","4759","4761","10.1021/acs.orglett.6b02180","","","0.71073","MoKα","","0.0414","0.0305","","","0.0651","0.0689","","","","","","1.073","","","","has coordinates","239047","2020-10-21","18:00:00",""
"1555717","11.7811","0.0006","12.1808","0.0006","17.8426","0.0013","80.372","0.006","88.311","0.006","87.675","0.006","2521.7","0.3","293","","293","","","","","","","","","6","P -1","-P 1","2","","","","- C24 H35 Br N2 O2 Si -","- C24 H35 Br N2 O2 Si -","- C96 H140 Br4 N8 O8 Si4 -","4","2","","Jing, Changcheng; Cheng, Qing-Qing; Deng, Yongming; Arman, Hadi; Doyle, Michael P.","Highly Regio- and Enantioselective Formal [3 + 2]-Annulation of Indoles with Electrophilic Enol Carbene Intermediates.","Organic letters","2016","18","18","4550","4553","10.1021/acs.orglett.6b02192","","","0.71075","MoKα","","0.0986","0.0733","","","0.1565","0.1682","","","","","","1.108","","","","has coordinates","239048","2020-10-21","18:00:00",""
"1555718","8.5706","0.001","31.946","0.004","9.0911","0.0012","90","","99.794","0.004","90","","2452.8","0.5","90","0.5","90","0.5","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C27 H35 N O Si -","- C27 H35 N O Si -","- C108 H140 N4 O4 Si4 -","4","1","","Malone, Joshua A.; Cleveland, Alexander H.; Fronczek, Frank R.; Kartika, Rendy","Effects of Solvent and Residual Water on Enhancing the Reactivity of Six-Membered Silyloxyallyl Cations toward Nucleophilic Addition.","Organic letters","2016","18","17","4408","4411","10.1021/acs.orglett.6b02194","","","0.71073","MoKα","","0.0664","0.0448","","","0.1066","0.1179","","","","","","1.022","","","","has coordinates","239049","2020-10-21","18:00:00",""
"1555719","12.2375","0.0006","14.2198","0.0008","13.0699","0.0006","90","","113.855","0.002","90","","2080.06","0.19","90","0.5","90","0.5","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C21 H30 Br N O Si -","- C21 H30 Br N O Si -","- C84 H120 Br4 N4 O4 Si4 -","4","1","","Malone, Joshua A.; Cleveland, Alexander H.; Fronczek, Frank R.; Kartika, Rendy","Effects of Solvent and Residual Water on Enhancing the Reactivity of Six-Membered Silyloxyallyl Cations toward Nucleophilic Addition.","Organic letters","2016","18","17","4408","4411","10.1021/acs.orglett.6b02194","","","0.71073","MoKα","","0.044","0.029","","","0.0657","0.0702","","","","","","1.028","","","","has coordinates","239050","2020-10-21","18:00:00",""
"1555720","6.9086","0.0004","13.0711","0.0008","29.2663","0.0018","90","","90","","90","","2642.8","0.3","150","2","150","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C29.64 H34.56 O10.36 -","- C29.64 H34.56 O10.36 -","- C118.56 H138.24 O41.44 -","4","1","","Zhou, Ming; Liu, Ye; Song, Jian; Peng, Xiao-Gang; Cheng, Qi; Cao, Hui; Xiang, Ming; Ruan, Han-Li","Schincalide A, a Schinortriterpenoid with a Tricyclo[5.2.1.0(1,6)]decane-Bridged System from the Stems and Leaves of Schisandra incarnate.","Organic letters","2016","18","18","4558","4561","10.1021/acs.orglett.6b02197","","","1.54178","CuKα","","0.0662","0.0636","","","0.1807","0.1826","","","","","","1.116","","","","has coordinates,has disorder","239051","2020-10-21","18:00:00",""
"1555721","9.973","0.006","10.372","0.006","19.048","0.011","104.203","0.006","90.641","0.006","96.358","0.005","1896.8","1.9","298","2","298","","","","","","","","","4","P -1","-P 1","2","","","","- C24 H19 N3 O -","- C24 H19 N3 O -","- C96 H76 N12 O4 -","4","2","","Wang, Weiguo; Wei, Fang; Ma, Yudao; Tung, Chen-Ho; Xu, Zhenghu","Copper(I)-Catalyzed Three-Component Click/Alkynylation: One-Pot Synthesis of 5-Alkynyl-1,2,3-triazoles.","Organic letters","2016","18","17","4158","4161","10.1021/acs.orglett.6b02199","","","0.71","MoKα","","0.1002","0.057","","","0.1457","0.1716","","","","","","0.979","","","","has coordinates","273808","2022-03-18","10:32:16",""
"1555722","17.673","0.003","5.8274","0.0008","8.4242","0.0014","90","","92.611","0.013","90","","866.7","0.2","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C9 H9 N3 O -","- C9 H9 N3 O -","- C36 H36 N12 O4 -","4","1","","Taylor, Scott D.; Lohani, Chuda Raj","A Fresh Look at the Staudinger Reaction on Azido Esters: Formation of 2H-1,2,3-Triazol-4-ols from α-Azido Esters Using Trialkyl Phosphines.","Organic letters","2016","18","17","4412","4415","10.1021/acs.orglett.6b02204","","","0.71073","MoKα","","0.1016","0.0558","","","0.1033","0.1121","","","","","","1.223","","","","has coordinates","239053","2020-10-21","18:00:00",""
"1555723","14.669","0.002","32.397","0.005","19.484","0.003","90","","111.648","0.003","90","","8606","2","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C69 H33 N9 O6 -","- C69 H33 N9 O6 -","- C276 H132 N36 O24 -","4","1","","Wang, Zhen; Luo, Yi; Zhai, Tian-Long; Ma, Hui; Chen, Jing-Jing; Shu, Yuanjie; Zhang, Chun","Porous Triphenylbenzene-Based Bicyclooxacalixarene Cage for Selective Adsorption of CO2/N2.","Organic letters","2016","18","18","4574","4577","10.1021/acs.orglett.6b02219","","","0.71073","MoKα","","0.137","0.1169","","","0.311","0.33","","","","","","0.944","","","","has coordinates,has disorder","239054","2020-10-21","18:00:00",""
"1555724","13.386","0.0007","22.1035","0.0009","15.0948","0.0008","90","","90.213","0.005","90","","4466.2","0.4","223","2","223","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C29 H22 N O2 -","- C29 H22 N O2 -","- C232 H176 N8 O16 -","8","2","","Cai, Zhong-Jian; Li, Fang-Hui; Wang, Shun-Yi; Ji, Shun-Jun","Palladium-Catalyzed Cascade Arene/Alkyne Annulation: Synthesis of Fluorene-Benzoxazine Derivatives.","Organic letters","2016","18","19","4810","4813","10.1021/acs.orglett.6b02224","","","0.71073","MoKα","","0.1472","0.0648","","","0.1187","0.1419","","","","","","1","","","","has coordinates,has disorder","239055","2020-10-21","18:00:00",""
"1555725","7.3458","0.0002","11.9086","0.0003","21.862","0.0006","90","","90","","90","","1912.45","0.09","295.6","0.3","295.6","0.3","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C27 H16 F N O -","- C27 H16 F N O -","- C108 H64 F4 N4 O4 -","4","1","","Cai, Zhong-Jian; Li, Fang-Hui; Wang, Shun-Yi; Ji, Shun-Jun","Palladium-Catalyzed Cascade Arene/Alkyne Annulation: Synthesis of Fluorene-Benzoxazine Derivatives.","Organic letters","2016","18","19","4810","4813","10.1021/acs.orglett.6b02224","","","1.54184","CuKα","","0.0586","0.0505","","","0.1457","0.1552","","","","","","1.116","","","","has coordinates","239056","2020-10-21","18:00:00",""
"1555726","12.7082","0.0012","10.0795","0.0009","24.4296","0.0018","90","","90","","90","","3129.2","0.5","292.2","0.6","292.2","0.6","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C16 H19 N O4 -","- C16 H19 N O4 -","- C128 H152 N8 O32 -","8","1","","Bantreil, Xavier; Bourderioux, Aurélie; Mateo, Pierre; Hagerman, Caroline E.; Selkti, Mohamed; Brachet, Etienne; Belmont, Philippe","Phosphine-Triggered Selectivity Switch in Silver-Catalyzed o-Alkynylbenzohydroxamic Acid Cycloisomerizations.","Organic letters","2016","18","19","4814","4817","10.1021/acs.orglett.6b02235","","x-ray","0.71073","MoKα","","0.0947","0.0592","","","0.1679","0.1879","","","","","","1.075","","","","has coordinates","288248","2023-12-12","12:55:27",""
"1555727","10.5129","0.0006","8.026","0.0005","12.3315","0.0007","90","","99.836","0.002","90","","1025.19","0.1","122","2","122","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C18 H21 N3 O7 S -","- C18 H21 N3 O7 S -","- C36 H42 N6 O14 S2 -","2","1","","Glibstrup, Emil; Pedersen, Christian Marcus","Scalable Synthesis of Anomerically Pure Orthogonal-Protected GlcN3 and GalN3 from d-Glucosamine.","Organic letters","2016","18","17","4424","4427","10.1021/acs.orglett.6b02241","","","0.71073","MoKα","","0.0473","0.0431","","","0.1082","0.1111","","","","","","1.038","","","","has coordinates","239058","2020-10-21","18:00:00",""
"1555728","8.9053","0.0011","9.1342","0.0011","10.3857","0.0012","85.819","0.01","88.672","0.01","77.281","0.011","821.86","0.17","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C20 H19 N3 O2 -","- C20 H19 N3 O2 -","- C40 H38 N6 O4 -","2","1","","Li, Zexian; Sun, Suyan; Qiao, Huijie; Yang, Fan; Zhu, Yu; Kang, Jianxun; Wu, Yusheng; Wu, Yangjie","Palladium-Catalyzed Regioselective C8-H Amination of 1-Naphthylamine Derivatives with Aliphatic Amines.","Organic letters","2016","18","18","4594","4597","10.1021/acs.orglett.6b02243","","x-ray","0.71073","MoKα","","0.0806","0.052","","","0.1486","0.1756","","","","","","1.013","","","","has coordinates","239059","2020-10-21","18:00:00",""
"1555729","11.69","0.04","5.133","0.016","14.52","0.05","90","","109.05","0.03","90","","824","5","173","","173","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C17 H25 N O4 -","- C17 H25 N O4 -","- C34 H50 N2 O8 -","2","1","","Morita, Tomohiro; Akita, Mitsutoshi; Satoh, Tetsuya; Kakiuchi, Fumitoshi; Miura, Masahiro","Ruthenium-Catalyzed Cross-Coupling of Maleimides with Alkenes.","Organic letters","2016","18","18","4598","4601","10.1021/acs.orglett.6b02244","","","0.71075","MoKα","","0.2073","0.0892","","","0.1672","0.2218","","","","","","1.029","","","","has coordinates","239060","2020-10-21","18:00:00",""
"1555730","8.1402","0.0013","15.085","0.002","8.9672","0.0014","90","","104.569","0.005","90","","1065.7","0.3","147","2","147","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C12 H14 N2 O -","- C12 H14 N2 O -","- C48 H56 N8 O4 -","4","1","","Luo, Bo; Gao, Jin-Ming; Lautens, Mark","Palladium-Catalyzed Norbornene-Mediated Tandem Amination/Cyanation Reaction: A Method for the Synthesis of ortho-Aminated Benzonitriles.","Organic letters","2016","18","17","4166","4169","10.1021/acs.orglett.6b02249","","","0.71073","MoKα","","0.0455","0.0369","","","0.0852","0.0897","","","","","","1.023","","","","has coordinates","239061","2020-10-21","18:00:00",""
"1555731","9.1894","0.0014","9.4311","0.0015","10.3177","0.0015","105.277","0.005","93.849","0.005","116.71","0.004","752.5","0.2","147","2","147","2","","","","","","","","4","P -1","-P 1","2","","","","- C16 H21 N3 O2 -","- C16 H21 N3 O2 -","- C32 H42 N6 O4 -","2","1","","Luo, Bo; Gao, Jin-Ming; Lautens, Mark","Palladium-Catalyzed Norbornene-Mediated Tandem Amination/Cyanation Reaction: A Method for the Synthesis of ortho-Aminated Benzonitriles.","Organic letters","2016","18","17","4166","4169","10.1021/acs.orglett.6b02249","","","0.71073","MoKα","","0.0484","0.0366","","","0.0901","0.0983","","","","","","1.038","","","","has coordinates","239062","2020-10-21","18:00:00",""
"1555732","8.8389","0.0002","10.1118","0.0003","20.365","0.0006","91.087","0.002","95.709","0.002","107.236","0.002","1727.56","0.08","298","2","298.15","","","","","","","","","5","P -1","-P 1","2","","","","- C33 H38 N2 O8 S2 -","- C33 H38 N2 O8 S2 -","- C66 H76 N4 O16 S4 -","2","1","","Wang, Bin; Liang, Man; Tang, Jian; Deng, Yuting; Zhao, Jinhong; Sun, Hao; Tung, Chen-Ho; Jia, Jiong; Xu, Zhenghu","Gold/Lewis Acid Catalyzed Cycloisomerization/Diastereoselective [3 + 2] Cycloaddition Cascade: Synthesis of Diverse Nitrogen-Containing Spiro Heterocycles.","Organic letters","2016","18","18","4614","4617","10.1021/acs.orglett.6b02253","","","0.71","MoKα","","0.1282","0.0824","","","0.2329","0.2714","","","","","","1.039","","","","has coordinates","239063","2020-10-21","18:00:00",""
"1555733","8.76","0.05","10.03","0.06","20.67","0.12","97.61","0.04","97.04","0.05","107.15","0.04","1695","17","298","2","298.15","","","","","","","","","6","P -1","-P 1","2","","","","- C33 H37 Br N2 O8 S2 -","- C33 H37 Br N2 O8 S2 -","- C66 H74 Br2 N4 O16 S4 -","2","1","","Wang, Bin; Liang, Man; Tang, Jian; Deng, Yuting; Zhao, Jinhong; Sun, Hao; Tung, Chen-Ho; Jia, Jiong; Xu, Zhenghu","Gold/Lewis Acid Catalyzed Cycloisomerization/Diastereoselective [3 + 2] Cycloaddition Cascade: Synthesis of Diverse Nitrogen-Containing Spiro Heterocycles.","Organic letters","2016","18","18","4614","4617","10.1021/acs.orglett.6b02253","","","0.71","MoKα","","0.1253","0.0423","","","0.0805","0.1031","","","","","","0.895","","","","has coordinates","239064","2020-10-21","18:00:00",""
"1555734","9.901","0.002","11.342","0.002","13.766","0.003","97.9523","0.0018","97.714","0.0018","115.282","0.0016","1351.7","0.5","298","2","298.15","","","","","","","","","5","P -1","-P 1","2","","","","- C30 H31 N O7 S -","- C30 H31 N O7 S -","- C60 H62 N2 O14 S2 -","2","1","","Wang, Bin; Liang, Man; Tang, Jian; Deng, Yuting; Zhao, Jinhong; Sun, Hao; Tung, Chen-Ho; Jia, Jiong; Xu, Zhenghu","Gold/Lewis Acid Catalyzed Cycloisomerization/Diastereoselective [3 + 2] Cycloaddition Cascade: Synthesis of Diverse Nitrogen-Containing Spiro Heterocycles.","Organic letters","2016","18","18","4614","4617","10.1021/acs.orglett.6b02253","","","0.71","MoKα","","0.0771","0.0425","","","0.0831","0.0965","","","","","","1.007","","","","has coordinates","239065","2020-10-21","18:00:00",""
"1555735","8.22","0.03","13.26","0.06","13.66","0.06","62.43","0.03","75.81","0.04","86.19","0.04","1278","9","298","2","298.15","","","","","","","","","5","P -1","-P 1","2","","","","- C30 H31 N O7 S -","- C30 H31 N O7 S -","- C60 H62 N2 O14 S2 -","2","1","","Wang, Bin; Liang, Man; Tang, Jian; Deng, Yuting; Zhao, Jinhong; Sun, Hao; Tung, Chen-Ho; Jia, Jiong; Xu, Zhenghu","Gold/Lewis Acid Catalyzed Cycloisomerization/Diastereoselective [3 + 2] Cycloaddition Cascade: Synthesis of Diverse Nitrogen-Containing Spiro Heterocycles.","Organic letters","2016","18","18","4614","4617","10.1021/acs.orglett.6b02253","","","0.71","MoKα","","0.0536","0.0409","","","0.1044","0.115","","","","","","1.052","","","","has coordinates","239066","2020-10-21","18:00:00",""
"1555736","11.539","0.0013","16.419","0.002","18.984","0.002","77.096","0.002","85.285","0.002","73.926","0.002","3368","0.7","300","","300","","","","","","","","","6","P -1","-P 1","2","","","","- C51 H18 F51 I3 N6 O3 -","- C51 H18 F51 I3 N6 O3 -","- C102 H36 F102 I6 N12 O6 -","2","1","","Sun, Xiaoyang; Wang, Wenmin; Li, Yanle; Ma, Jing; Yu, Shouyun","Halogen-Bond-Promoted Double Radical Isocyanide Insertion under Visible-Light Irradiation: Synthesis of 2-Fluoroalkylated Quinoxalines.","Organic letters","2016","18","18","4638","4641","10.1021/acs.orglett.6b02271","","","0.71073","MoKα","","0.116","0.0639","","","0.17","0.2052","","","","","","1.017","","","","has coordinates,has disorder","239067","2020-10-21","18:00:00",""
"1555737","5.3794","0.0012","8.0586","0.0017","26.339","0.006","81.743","0.004","86.002","0.004","76.923","0.004","1099.8","0.4","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C17 H6 F17 I N2 O -","- C17 H6 F17 I N2 O -","- C34 H12 F34 I2 N4 O2 -","2","1","","Sun, Xiaoyang; Wang, Wenmin; Li, Yanle; Ma, Jing; Yu, Shouyun","Halogen-Bond-Promoted Double Radical Isocyanide Insertion under Visible-Light Irradiation: Synthesis of 2-Fluoroalkylated Quinoxalines.","Organic letters","2016","18","18","4638","4641","10.1021/acs.orglett.6b02271","","","0.71073","MoKα","","0.0808","0.0708","","","0.1927","0.2095","","","","","","1.051","","","","has coordinates","239068","2020-10-21","18:00:00",""
"1555738","9.6089","0.0005","9.7376","0.0006","14.4701","0.0008","90","","96.693","0.002","90","","1344.71","0.13","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H13 N O2 S -","- C16 H13 N O2 S -","- C64 H52 N4 O8 S4 -","4","1","","Du, Bingnan; Qian, Ping; Wang, Yang; Mei, Haibo; Han, Jianlin; Pan, Yi","Cu-Catalyzed Deoxygenative C2-Sulfonylation Reaction of Quinoline N-Oxides with Sodium Sulfinate.","Organic letters","2016","18","16","4144","4147","10.1021/acs.orglett.6b02289","","","0.71073","MoKα","","0.0354","0.0319","","","0.0825","0.0846","","","","","","1.044","","","","has coordinates","239069","2020-10-21","18:00:00",""
"1555739","8.3423","0.0016","14.044","0.003","15.465","0.003","90","","92.323","0.003","90","","1810.4","0.6","100","","100","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C21 H23 B O3 -","- C21 H23 B O3 -","- C84 H92 B4 O12 -","4","1","","Jakhar, Vineet Kumar; Barman, Milan Kr; Nembenna, Sharanappa","Aluminum Monohydride Catalyzed Selective Hydroboration of Carbonyl Compounds.","Organic letters","2016","18","18","4710","4713","10.1021/acs.orglett.6b02310","","","0.71073","MoKα","","0.0538","0.043","","","0.1075","0.1145","","","","","","1.051","","","","has coordinates","239070","2020-10-21","18:00:00",""
"1555740","12.2925","0.0007","12.5244","0.0006","16.9143","0.0009","90","","98.731","0.004","90","","2573.9","0.2","100","","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C27 H44 Al N3 -","- C27 H44 Al N3 -","- C108 H176 Al4 N12 -","4","1","","Jakhar, Vineet Kumar; Barman, Milan Kr; Nembenna, Sharanappa","Aluminum Monohydride Catalyzed Selective Hydroboration of Carbonyl Compounds.","Organic letters","2016","18","18","4710","4713","10.1021/acs.orglett.6b02310","","","0.71073","MoKα","","0.1096","0.077","","","0.2107","0.2354","","","","","","1.06","","","","has coordinates","239071","2020-10-21","18:00:00",""
"1555741","8.5731","0.0005","9.2969","0.0004","17.1079","0.0007","90","","90","","90","","1363.56","0.11","294.23","0.1","294.23","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C15 H23 N O3 -","- C15 H23 N O3 -","- C60 H92 N4 O12 -","4","1","","Xu, Shiyan; Zhang, Jing; Ma, Donghui; Xu, Dengyu; Xie, Xingang; She, Xuegong","Asymmetric Total Synthesis of (-)-Lycospidine A.","Organic letters","2016","18","18","4682","4685","10.1021/acs.orglett.6b02322","","x-ray","0.71073","MoKα","","0.0722","0.0532","","","0.0978","0.1118","","","","","","1.089","","","","has coordinates","239072","2020-10-21","18:00:00",""
"1555742","14.6129","0.0006","14.6129","0.0006","14.5834","0.0006","90","","90","","120","","2696.88","0.19","290.8","0.2","290.8","0.2","","","","","","","","5","P 61","P 61","169","","","","- C15 H19 Cl2 N O2 -","- C15 H19 Cl2 N O2 -","- C90 H114 Cl12 N6 O12 -","6","1","","Xu, Shiyan; Zhang, Jing; Ma, Donghui; Xu, Dengyu; Xie, Xingang; She, Xuegong","Asymmetric Total Synthesis of (-)-Lycospidine A.","Organic letters","2016","18","18","4682","4685","10.1021/acs.orglett.6b02322","","x-ray","1.54184","CuKα","","0.0682","0.0466","","","0.1113","0.1229","","","","","","0.993","","","","has coordinates","239073","2020-10-21","18:00:00",""
"1555743","8.4853","0.0003","8.4853","0.0003","37.19","0.0015","90","","90","","90","","2677.69","0.17","294.44","0.1","294.44","0.1","","","","","","","","4","P 43 21 2","P 4nw 2abw","96","","","","- C15 H21 N O3 -","- C15 H21 N O3 -","- C120 H168 N8 O24 -","8","1","","Xu, Shiyan; Zhang, Jing; Ma, Donghui; Xu, Dengyu; Xie, Xingang; She, Xuegong","Asymmetric Total Synthesis of (-)-Lycospidine A.","Organic letters","2016","18","18","4682","4685","10.1021/acs.orglett.6b02322","","x-ray","0.71073","MoKα","","0.082","0.0552","","","0.1114","0.1274","","","","","","1.062","","","","has coordinates","239074","2020-10-21","18:00:00",""
"1555744","7.8003","0.0009","16.2905","0.0009","17.4071","0.0012","79.797","0.005","87.838","0.007","87.209","0.006","2173.4","0.3","150","0.1","150","0.1","","","","","","","synthesis as described","4","P -1","-P 1","2","","","","- C52 H56 N2 Si2 -","- C52 H56 N2 Si2 -","- C104 H112 N4 Si4 -","2","1","","Antonicelli, Gabriella; Gozalvez, Cristian; Atxabal, Ainhoa; Melle-Franco, Manuel; Hueso, Luis E.; Mateo-Alonso, Aurelio","K-Conjugated Dibenzoazahexacenes.","Organic letters","2016","18","18","4694","4697","10.1021/acs.orglett.6b02332","","x-ray","1.54184","CuKα","","0.1143","0.0729","","","0.1791","0.2101","","","","","","1.037","","","","has coordinates","239075","2020-10-21","18:00:00",""
"1555745","7.7643","0.0008","16.145","0.0016","17.4579","0.0019","80.174","0.009","88.112","0.009","87.207","0.008","2153.1","0.4","150","0.1","150","0.1","","","","","","","synthesis as described","4","P -1","-P 1","2","","","","- C50 H54 N4 Si2 -","- C50 H54 N4 Si2 -","- C100 H108 N8 Si4 -","2","1","","Antonicelli, Gabriella; Gozalvez, Cristian; Atxabal, Ainhoa; Melle-Franco, Manuel; Hueso, Luis E.; Mateo-Alonso, Aurelio","K-Conjugated Dibenzoazahexacenes.","Organic letters","2016","18","18","4694","4697","10.1021/acs.orglett.6b02332","","x-ray","1.54184","CuKα","","0.1644","0.1272","","","0.3448","0.3858","","","","","","1.175","","","","has coordinates","239076","2020-10-21","18:00:00",""
"1555746","18.3635","0.0008","25.2508","0.0011","9.9745","0.0004","90","","90","","90","","4625.1","0.3","100","2","100","2","","","","","","","","5","C 2 2 21","C 2c 2","20","","","","- C43 H52 Cl6 N2 O8 -","- C43 H52 Cl6 N2 O8 -","- C172 H208 Cl24 N8 O32 -","4","0.5","","Garcia, Alfredo; Drown, Bryon S.; Hergenrother, Paul J.","Access to a Structurally Complex Compound Collection via Ring Distortion of the Alkaloid Sinomenine.","Organic letters","2016","18","19","4852","4855","10.1021/acs.orglett.6b02333","","","1.54178","CuKα","","0.0475","0.0471","","","0.1222","0.1226","","","","","","1.095","","","","has coordinates,has disorder","239077","2020-10-21","18:00:00",""
"1555747","8.4444","0.0003","10.0554","0.0004","18.0941","0.0007","90","","90","","90","","1536.4","0.1","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C19 H21 N O4 -","- C19 H21 N O4 -","- C76 H84 N4 O16 -","4","1","","Garcia, Alfredo; Drown, Bryon S.; Hergenrother, Paul J.","Access to a Structurally Complex Compound Collection via Ring Distortion of the Alkaloid Sinomenine.","Organic letters","2016","18","19","4852","4855","10.1021/acs.orglett.6b02333","","","1.54178","CuKα","","0.0268","0.0261","","","0.0647","0.0653","","","","","","1.104","","","","has coordinates","239078","2020-10-21","18:00:00",""
"1555748","10.1204","0.0004","17.4091","0.0007","19.0464","0.0008","90.665","0.002","104.582","0.002","94.448","0.002","3236.2","0.2","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C27.5 H26 Br3 Cl N2 O -","- C27.5 H26 Br3 Cl N2 O -","- C110 H104 Br12 Cl4 N8 O4 -","4","2","","Janssen-Müller, Daniel; Singha, Santanu; Olyschläger, Theresa; Daniliuc, Constantin G.; Glorius, Frank","Annulation of o-Quinodimethanes through N-Heterocyclic Carbene Catalysis for the Synthesis of 1-Isochromanones.","Organic letters","2016","18","17","4444","4447","10.1021/acs.orglett.6b02335","","","1.54178","CuKα","","0.0385","0.0334","","","0.079","0.0813","","","","","","1.045","","","","has coordinates,has disorder","239079","2020-10-21","18:00:00",""
"1555749","13.301","0.003","5.8835","0.0012","15.051","0.003","90","","98.531","0.01","90","","1164.8","0.4","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C12 H9 F3 O4 -","- C12 H9 F3 O4 -","- C48 H36 F12 O16 -","4","1","","Janssen-Müller, Daniel; Singha, Santanu; Olyschläger, Theresa; Daniliuc, Constantin G.; Glorius, Frank","Annulation of o-Quinodimethanes through N-Heterocyclic Carbene Catalysis for the Synthesis of 1-Isochromanones.","Organic letters","2016","18","17","4444","4447","10.1021/acs.orglett.6b02335","","","1.54178","CuKα","","0.1083","0.0893","","","0.2456","0.2759","","","","","","1.108","","","","has coordinates","239079","2020-10-21","18:00:00",""
"1555750","8.67174","0.00016","12.0843","0.0002","15.4857","0.0003","86.329","0.0008","78.921","0.0008","74.044","0.0008","1531.07","0.05","123","","123","","","","","","","","","5","P -1","-P 1","2","","","","- C30 H49 Li Ni O8 -","- C30 H49 Li Ni O8 -","- C60 H98 Li2 Ni2 O16 -","2","1","","Iwasaki, Takanori; Fukuoka, Asuka; Min, Xin; Yokoyama, Wataru; Kuniyasu, Hitoshi; Kambe, Nobuaki","Multicomponent Coupling Reaction of Perfluoroarenes with 1,3-Butadiene and Aryl Grignard Reagents Promoted by an Anionic Ni(II) Complex.","Organic letters","2016","18","19","4868","4871","10.1021/acs.orglett.6b02343","","","1.54187","CuKα","","0.0465","0.0415","","","0.1162","0.1193","","","","","","1.075","","","","has coordinates","239080","2020-10-21","18:00:00",""
"1555751","10.8104","0.0003","11.1726","0.0003","21.1349","0.0005","90","","90","","90","","2552.68","0.12","288","2","288","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C23 H29 Cl3 N2 O3 S -","- C23 H29 Cl3 N2 O3 S -","- C92 H116 Cl12 N8 O12 S4 -","4","1","","Zhang, Juan; Chen, Zhi-Xiong; Du, Ting; Li, Bing; Gu, Yonghong; Tian, Shi-Kai","Aryne-Mediated [2,3]-Sigmatropic Rearrangement of Tertiary Allylic Amines.","Organic letters","2016","18","19","4872","4875","10.1021/acs.orglett.6b02344","","","1.54184","CuKα","","0.0815","0.0771","","","0.1938","0.1985","","","","","","1.06","","","","has coordinates","239081","2020-10-21","18:00:00",""
"1555752","9.1897","0.0002","10.1219","0.0003","12.6525","0.0003","90","","95.598","0.002","90","","1171.29","0.05","289","2","289","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C22 H26 Br N3 O3 S -","- C22 H26 Br N3 O3 S -","- C44 H52 Br2 N6 O6 S2 -","2","1","","Zhang, Juan; Chen, Zhi-Xiong; Du, Ting; Li, Bing; Gu, Yonghong; Tian, Shi-Kai","Aryne-Mediated [2,3]-Sigmatropic Rearrangement of Tertiary Allylic Amines.","Organic letters","2016","18","19","4872","4875","10.1021/acs.orglett.6b02344","","","1.54184","CuKα","","0.0377","0.0355","","","0.0934","0.0967","","","","","","1.048","","","","has coordinates","239082","2020-10-21","18:00:00",""
"1555753","11.48668","0.00007","7.37203","0.00006","20.25344","0.00015","90","","106.033","0.0007","90","","1648.35","0.02","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C18 H17 Cl N2 O2 S -","- C18 H17 Cl N2 O2 S -","- C72 H68 Cl4 N8 O8 S4 -","4","1","","Hsueh, Nathanael; Clarkson, Guy J.; Shipman, Michael","Functionalization of Alkenes through Telescoped Continuous Flow Aziridination Processes.","Organic letters","2016","18","19","4908","4911","10.1021/acs.orglett.6b02349","","x-ray","1.54184","CuKα","","0.0348","0.0332","","","0.0911","0.093","","","","","","1.044","","","","has coordinates","239083","2020-10-21","18:00:00",""
"1555754","8.9249","0.00006","12.0771","0.00008","15.5355","0.00013","90","","98.2881","0.0007","90","","1657.03","0.02","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C15 H17 I N2 O3 S -","- C15 H17 I N2 O3 S -","- C60 H68 I4 N8 O12 S4 -","4","1","","Hsueh, Nathanael; Clarkson, Guy J.; Shipman, Michael","Functionalization of Alkenes through Telescoped Continuous Flow Aziridination Processes.","Organic letters","2016","18","19","4908","4911","10.1021/acs.orglett.6b02349","","x-ray","1.54184","CuKα","","0.0304","0.0302","","","0.0813","0.0816","","","","","","1.087","","","","has coordinates","239084","2020-10-21","18:00:00",""
"1555755","11.3527","0.0013","11.6672","0.0013","16.7434","0.0019","96.567","0.002","95.824","0.002","102.162","0.003","2135.7","0.4","100","0.5","100","0.5","","","","","","","","4","P -1","-P 1","2","froywh06","","","- C28 H27 N O2 -","- C28 H27 N O2 -","- C112 H108 N4 O8 -","4","2","","Huang, Yu-Wen; Frontier, Alison J.","Nazarov Cyclization/Internal Redox Cyclization Sequence for the Synthesis of N-Heterocyclic Bridged Ring Systems.","Organic letters","2016","18","19","4896","4899","10.1021/acs.orglett.6b02369","","","0.71073","MoKα","","0.1046","0.0512","","","0.094","0.1119","","","","","","0.999","","","","has coordinates","239085","2020-10-21","18:00:00",""
"1555756","6.9578","0.0015","11.041","0.002","24.685","0.005","90","","90","","90","","1896.3","0.7","100","0.5","100","0.5","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","froywh05","","","- C24 H23 N O3 -","- C24 H23 N O3 -","- C96 H92 N4 O12 -","4","1","","Huang, Yu-Wen; Frontier, Alison J.","Nazarov Cyclization/Internal Redox Cyclization Sequence for the Synthesis of N-Heterocyclic Bridged Ring Systems.","Organic letters","2016","18","19","4896","4899","10.1021/acs.orglett.6b02369","","","0.71073","MoKα","","0.1409","0.0644","","","0.1154","0.1444","","","","","","0.993","","","","has coordinates","239086","2020-10-21","18:00:00",""
"1555757","8.5529","0.0004","9.1794","0.0004","12.3004","0.0005","75.507","0.002","77.927","0.002","82.204","0.002","910.75","0.07","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C21 H22 N2 O3 -","- C21 H22 N2 O3 -","- C42 H44 N4 O6 -","2","1","","Foley, Christopher; Shaw, Arthur; Hulme, Christopher","Two-Step Route to Diverse N-Functionalized Peptidomimetic-like Isatins through an Oxidation/Intramolecular Oxidative-Amidation Cascade of Ugi Azide and Ugi Three-Component Reaction Products.","Organic letters","2016","18","19","4904","4907","10.1021/acs.orglett.6b02383","","","0.71073","","","0.0746","0.0462","","","0.1188","0.1417","","","","","","0.981","","","","has coordinates","239087","2020-10-21","18:00:00",""
"1555758","8.1296","0.0003","15.4679","0.0006","33.0511","0.0014","90","","94.9069","0.0019","90","","4140.9","0.3","376","2","376","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C25 H23 N O4 -","- C25 H23 N O4 -","- C200 H184 N8 O32 -","8","2","","Chen, Cuili; Zou, Yongzhen; Chen, Xianxiao; Zhang, Xiaoxiang; Rao, Weidong; Chan, Philip Wai Hong","Gold-Catalyzed Tandem 1,3-Migration/Double Cyclopropanation of 1-Ene-4,n-diyne Esters to Tetracyclodecene and Tetracycloundecene Derivatives.","Organic letters","2016","18","18","4730","4733","10.1021/acs.orglett.6b02404","","","0.71073","MoKα","","0.0731","0.0451","","","0.1182","0.1491","","","","","","1.088","","","","has coordinates","239088","2020-10-21","18:00:00",""
"1555759","8.1119","0.0004","15.0586","0.0008","10.8705","0.0005","90","","101.345","0.0019","90","","1301.93","0.11","103","2","103","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C17 H18 O -","- C17 H18 O -","- C68 H72 O4 -","4","1","","Chen, Cuili; Zou, Yongzhen; Chen, Xianxiao; Zhang, Xiaoxiang; Rao, Weidong; Chan, Philip Wai Hong","Gold-Catalyzed Tandem 1,3-Migration/Double Cyclopropanation of 1-Ene-4,n-diyne Esters to Tetracyclodecene and Tetracycloundecene Derivatives.","Organic letters","2016","18","18","4730","4733","10.1021/acs.orglett.6b02404","","","0.71073","MoKα","","0.0599","0.0461","","","0.1251","0.1362","","","","","","1.079","","","","has coordinates","277994","2022-09-20","08:32:41",""
"1555760","11.481","0.0002","13.8874","0.0003","14.2299","0.001","90","","111.405","0.008","90","","2112.3","0.2","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C25 H27 O6 -","- C25 H27 O6 -","- C100 H108 O24 -","4","1","","Qiao, Chuang; Zhang, Wen; Han, Jing-Chun; Li, Chuang-Chuang","Catalytic Enantioselective Total Synthesis of Hypocrolide A.","Organic letters","2016","18","19","4932","4935","10.1021/acs.orglett.6b02414","","","1.54187","CuKα","","0.0588","0.0556","","","0.1445","0.1473","","","","","","1.063","","","","has coordinates","239090","2020-10-21","18:00:00",""
"1555761","28.362","0.002","5.9866","0.0001","16.1832","0.0003","90","","100.97","0.007","90","","2697.6","0.2","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C29 H30 N2 O8 -","- C29 H30 N2 O8 -","- C116 H120 N8 O32 -","4","1","","Qiao, Chuang; Zhang, Wen; Han, Jing-Chun; Li, Chuang-Chuang","Catalytic Enantioselective Total Synthesis of Hypocrolide A.","Organic letters","2016","18","19","4932","4935","10.1021/acs.orglett.6b02414","","","1.54178","CuKα","","0.0897","0.0598","","","0.1565","0.1823","","","","","","1.067","","","","has coordinates","239091","2020-10-21","18:00:00",""
"1555762","9.22","0.002","9.221","0.003","17.022","0.004","90","","95.108","0.008","90","","1441.4","0.7","293","","293","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C15 H24 O4 -","- C15 H24 O4 -","- C60 H96 O16 -","4","1","","Qiao, Chuang; Zhang, Wen; Han, Jing-Chun; Li, Chuang-Chuang","Catalytic Enantioselective Total Synthesis of Hypocrolide A.","Organic letters","2016","18","19","4932","4935","10.1021/acs.orglett.6b02414","","","1.54178","CuKα","","0.1064","0.09","","","0.309","0.3901","","","","","","1.905","","","","has coordinates","239092","2020-10-21","18:00:00",""
"1555763","15.6433","0.0002","8.7737","0.0001","31.105","0.002","90","","90","","90","","4269.1","0.3","293","2","293","2","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- C25 H26 O6 -","- C25 H26 O6 -","- C200 H208 O48 -","8","2","","Qiao, Chuang; Zhang, Wen; Han, Jing-Chun; Li, Chuang-Chuang","Catalytic Enantioselective Total Synthesis of Hypocrolide A.","Organic letters","2016","18","19","4932","4935","10.1021/acs.orglett.6b02414","","","1.54187","CuKα","","0.0521","0.0449","","","0.1202","0.1277","","","","","","1.08","","","","has coordinates","239093","2020-10-21","18:00:00",""
"1555764","20.9111","0.0004","10.4665","0.0002","15.9414","0.0003","90","","105.059","0.0011","90","","3369.21","0.11","296","2","296","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C17 H18 N O6 -","- C17 H18 N O6 -","- C136 H144 N8 O48 -","8","2","","Qiao, Chuang; Zhang, Wen; Han, Jing-Chun; Li, Chuang-Chuang","Catalytic Enantioselective Total Synthesis of Hypocrolide A.","Organic letters","2016","18","19","4932","4935","10.1021/acs.orglett.6b02414","","","0.71073","MoKα","","0.0949","0.0505","","","0.1239","0.1448","","","","","","1.019","","","","has coordinates","239094","2020-10-21","18:00:00",""
"1555765","9.0774","0.0018","15.15","0.003","16.882","0.003","90","","93.62","0.03","90","","2317","0.8","113","2","113","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C23 H30 N2 O7 -","- C23 H30 N2 O7 -","- C92 H120 N8 O28 -","4","1","","Yang, Changjiang; Liu, Wei; He, Zijian; He, Zhengjie","Divergent Reactivity of Nitrocyclopropanes with Huisgen Zwitterions and Facile Syntheses of 3-Alkoxy Pyrazolines and Pyrazoles.","Organic letters","2016","18","19","4936","4939","10.1021/acs.orglett.6b02415","","","0.71073","MoKα","","0.0824","0.0661","","","0.193","0.2099","","","","","","1.04","","","","has coordinates","239095","2020-10-21","18:00:00",""
"1555766","8.296","0.003","8.793","0.003","10.13","0.003","100.061","0.002","106.015","0.004","108.472","0.002","645.2","0.4","113","2","113","2","","","","","","","","5","P -1","-P 1","2","","","","- C13 H13 Br N2 O3 -","- C13 H13 Br N2 O3 -","- C26 H26 Br2 N4 O6 -","2","1","","Yang, Changjiang; Liu, Wei; He, Zijian; He, Zhengjie","Divergent Reactivity of Nitrocyclopropanes with Huisgen Zwitterions and Facile Syntheses of 3-Alkoxy Pyrazolines and Pyrazoles.","Organic letters","2016","18","19","4936","4939","10.1021/acs.orglett.6b02415","","","0.71073","MoKα","","0.0245","0.0227","","","0.0611","0.0614","","","","","","1.078","","","","has coordinates","239096","2020-10-21","18:00:00",""
"1555767","5.3836","0.0003","31.775","0.002","9.5511","0.0006","90","","90","","90","","1633.85","0.17","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C19 H21 N O2 -","- C19 H21 N O2 -","- C76 H84 N4 O8 -","4","1","","Lynch, Denis; Deasy, Rebecca E.; Clarke, Leslie-Ann; Slattery, Catherine N.; Khandavilli, U. B. Rao; Lawrence, Simon E.; Maguire, Anita R.; Magnus, Nicholas A.; Moynihan, Humphrey A.","Exploring the Scope of Asymmetric Synthesis of β-Hydroxy-γ-lactams via Noyori-type Reductions.","Organic letters","2016","18","19","4978","4981","10.1021/acs.orglett.6b02416","","","1.54178","CuKα","","0.087","0.0826","","","0.2296","0.2324","","","","","","1.087","","","","has coordinates","239097","2020-10-21","18:00:00",""
"1555768","11.0767","0.0003","6.1023","0.0002","13.1637","0.0004","90","","104.848","0.001","90","","860.07","0.05","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","gamma-hydroxy-beta-lactam, methyl cyclohexyl derivative","","","- C19 H27 N O2 -","- C19 H27 N O2 -","- C38 H54 N2 O4 -","2","1","","Lynch, Denis; Deasy, Rebecca E.; Clarke, Leslie-Ann; Slattery, Catherine N.; Khandavilli, U. B. Rao; Lawrence, Simon E.; Maguire, Anita R.; Magnus, Nicholas A.; Moynihan, Humphrey A.","Exploring the Scope of Asymmetric Synthesis of β-Hydroxy-γ-lactams via Noyori-type Reductions.","Organic letters","2016","18","19","4978","4981","10.1021/acs.orglett.6b02416","","","1.54178","CuKα","","0.0276","0.0272","","","0.074","0.0745","","","","","","1.077","","","","has coordinates","239098","2020-10-21","18:00:00",""
"1555769","21.365","0.005","9.334","0.005","26.587","0.005","90","0.005","92.256","0.005","90","0.005","5298","3","298","","298","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","N-alkylazetidine","","","- C25 H29 N O9 S -","- C25 H31 N O9 S -","- C200 H248 N8 O72 S8 -","8","2","","Ghosh, Asit; Mandal, Subhajit; Chattaraj, Pratim Kumar; Banerjee, Prabal","Ring Expansion of Donor-Acceptor Cyclopropane via Substituent Controlled Selective N-Transfer of Oxaziridine: Synthetic and Mechanistic Insights.","Organic letters","2016","18","19","4940","4943","10.1021/acs.orglett.6b02417","","","0.71073","MoKα","","0.1278","0.0632","","","0.1403","0.1674","","","","","","1.03","","","","has coordinates","275434","2022-05-16","05:31:57",""
"1555770","21.286","0.005","12.49","0.005","20.712","0.005","90","0.005","118.061","0.005","90","0.005","4859","3","288","2","288","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","Pyrrolidine","","","- C26 H31 N O6 -","- C26 H31 N O6 -","- C208 H248 N8 O48 -","8","1","","Ghosh, Asit; Mandal, Subhajit; Chattaraj, Pratim Kumar; Banerjee, Prabal","Ring Expansion of Donor-Acceptor Cyclopropane via Substituent Controlled Selective N-Transfer of Oxaziridine: Synthetic and Mechanistic Insights.","Organic letters","2016","18","19","4940","4943","10.1021/acs.orglett.6b02417","","","0.71073","MoKα","","0.0918","0.0586","","","0.1481","0.1686","","","","","","1.016","","","","has coordinates","239100","2020-10-21","18:00:00",""
"1555771","8.651","0.0002","18.3861","0.0005","29.434","0.005","90","","90","","90","","4681.7","0.8","293","2","293","2","","","","","","","","5","P b n m","-P 2c 2ab","62","","","","- C49 H53 B3 F6 N6 -","- C49 H54 B3 F6 N6 -","- C196 H216 B12 F24 N24 -","4","0.5","","Ozdemir, Tugba; Bila, Jose Luis; Sozmen, Fazli; Yildirim, Leyla T.; Akkaya, Engin U.","Orthogonal Bodipy Trimers as Photosensitizers for Photodynamic Action.","Organic letters","2016","18","19","4821","4823","10.1021/acs.orglett.6b02418","","x-ray","0.71073","MoKα","","0.086","0.0599","","","","0.2036","","","","","","1.107","","","","has coordinates","239101","2020-10-21","18:00:00",""
"1555772","8.6021","0.0013","11.6111","0.0017","16.938","0.003","70.766","0.003","89.038","0.003","68.763","0.003","1478.7","0.4","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C35 H33 N O6 -","- C35 H33 N O6 -","- C70 H66 N2 O12 -","2","1","","Luo, Hejiang; Chen, Kai; Jiang, Huanfeng; Zhu, Shifa","A Route to Polysubstituted Aziridines from Carbenes and Imines through a Nondiazo Approach.","Organic letters","2016","18","20","5208","5211","10.1021/acs.orglett.6b02429","","","0.71073","MoKα","","0.0721","0.0526","","","0.1284","0.1425","","","","","","1.02","","","","has coordinates,has disorder","239102","2020-10-21","18:00:00",""
"1555773","9.92","0.002","11.199","0.002","12.122","0.002","64.365","0.004","68.38","0.004","81.92","0.004","1128.4","0.4","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C28 H25 N O2 -","- C28 H25 N O2 -","- C56 H50 N2 O4 -","2","1","","Luo, Hejiang; Chen, Kai; Jiang, Huanfeng; Zhu, Shifa","A Route to Polysubstituted Aziridines from Carbenes and Imines through a Nondiazo Approach.","Organic letters","2016","18","20","5208","5211","10.1021/acs.orglett.6b02429","","","0.71073","MoKα","","0.0754","0.0506","","","0.1298","0.1447","","","","","","1.028","","","","has coordinates","239103","2020-10-21","18:00:00",""
"1555774","11.0788","0.0015","11.3956","0.0017","13.782","0.002","74.825","0.003","88.857","0.004","85.704","0.004","1674.6","0.4","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C37 H41 N3 O6 -","- C37 H41 N3 O6 -","- C74 H82 N6 O12 -","2","1","","Luo, Hejiang; Chen, Kai; Jiang, Huanfeng; Zhu, Shifa","A Route to Polysubstituted Aziridines from Carbenes and Imines through a Nondiazo Approach.","Organic letters","2016","18","20","5208","5211","10.1021/acs.orglett.6b02429","","","0.71073","MoKα","","0.1377","0.0713","","","0.1503","0.1865","","","","","","1.009","","","","has coordinates","239104","2020-10-21","18:00:00",""
"1555775","5.961","0.005","7.819","0.007","20.316","0.018","90","","90","","90","","946.9","1.4","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","(E)-1-(1-Chloro-2-nitrovinyl)-4-methylbenzene","","","- C9 H8 Cl N O2 -","- C9 H8 Cl N O2 -","- C36 H32 Cl4 N4 O8 -","4","1","","Gao, Mingchun; Xu, Bin","Copper Nitrate Mediated Regio- and Stereoselective Difunctionalization of Alkynes: A Direct Approach to α-Chloro-β-nitroolefins.","Organic letters","2016","18","18","4746","4749","10.1021/acs.orglett.6b02464","","","0.71073","MoKα","","0.0484","0.0391","","","0.1074","0.1143","","","","","","1.06","","","","has coordinates","239105","2020-10-21","18:00:00",""
"1555776","6.758","0.005","8.245","0.006","18.741","0.015","90","","90","","90","","1044.2","1.4","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","(Z)-1-Methyl-4-(2-nitro-1-thiocyanatovinyl)benzene","","","- C10 H8 N2 O2 S -","- C10 H8 N2 O2 S -","- C40 H32 N8 O8 S4 -","4","1","","Gao, Mingchun; Xu, Bin","Copper Nitrate Mediated Regio- and Stereoselective Difunctionalization of Alkynes: A Direct Approach to α-Chloro-β-nitroolefins.","Organic letters","2016","18","18","4746","4749","10.1021/acs.orglett.6b02464","","","0.71073","MoKα","","0.0433","0.0329","","","0.0767","0.083","","","","","","1.071","","","","has coordinates","239106","2020-10-21","18:00:00",""
"1555777","8.018","0.006","16.118","0.013","10.272","0.008","90","","94.878","0.009","90","","1322.7","1.8","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","(E)-1-(2-Nitro-1-(p-tolyl)vinyl)piperidine","","","- C14 H18 N2 O2 -","- C14 H18 N2 O2 -","- C56 H72 N8 O8 -","4","1","","Gao, Mingchun; Xu, Bin","Copper Nitrate Mediated Regio- and Stereoselective Difunctionalization of Alkynes: A Direct Approach to α-Chloro-β-nitroolefins.","Organic letters","2016","18","18","4746","4749","10.1021/acs.orglett.6b02464","","","0.71073","MoKα","","0.0585","0.0439","","","0.1189","0.129","","","","","","1.05","","","","has coordinates","239107","2020-10-21","18:00:00",""
"1555778","12.151","0.002","23.564","0.005","5.864","0.0012","90","","90","","90","","1679","0.6","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C21 H18 O2 -","- C21 H18 O2 -","- C84 H72 O8 -","4","1","","Li, Jingfu; Chang, Wenju; Ren, Wenlong; Dai, Jie; Shi, Yian","Palladium-Catalyzed Highly Regio- and Enantioselective Hydroesterification of Aryl Olefins with Phenyl Formate.","Organic letters","2016","18","21","5456","5459","10.1021/acs.orglett.6b02467","","","0.71073","MoKα","","0.1316","0.0635","","","0.1199","0.147","","","","","","1.006","","","","has coordinates","239108","2020-10-21","18:00:00",""
"1555779","10.2906","0.0011","13.6532","0.0015","15.2519","0.0016","81.694","0.002","78.662","0.002","68.752","0.002","1951.9","0.4","130","2","130","2","","","","","","","","4","P -1","-P 1","2","","","","- C21 H24 Br2 O3 -","- C21 H24 Br2 O3 -","- C84 H96 Br8 O12 -","4","2","","Shen, Minxing; Kretschmer, Manuel; Brill, Zachary G.; Snyder, Scott A.","Strategies for the Total Synthesis of Diverse Bromo-Chamigrenes.","Organic letters","2016","18","19","5018","5021","10.1021/acs.orglett.6b02478","","","0.71073","MoKα","","0.0986","0.0565","","","0.1258","0.1453","","","","","","1.039","","","","has coordinates","239109","2020-10-21","18:00:00",""
"1555780","15.8482","0.0007","6.3578","0.0003","12.9413","0.0005","90","","90.951","0.002","90","","1303.78","0.1","100","2","100.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H21 Br O -","- C14 H21 Br O -","- C56 H84 Br4 O4 -","4","1","","Shen, Minxing; Kretschmer, Manuel; Brill, Zachary G.; Snyder, Scott A.","Strategies for the Total Synthesis of Diverse Bromo-Chamigrenes.","Organic letters","2016","18","19","5018","5021","10.1021/acs.orglett.6b02478","","","0.71073","MoKα","","0.0326","0.0255","","","0.0563","0.0585","","","","","","1.072","","","","has coordinates","239110","2020-10-21","18:00:00",""
"1555781","10.9219","0.0007","22.3462","0.0014","13.7789","0.0009","90","","90","","90","","3362.9","0.4","100","2","100","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C15 H25 Br O2 -","- C15 H25 Br O2 -","- C120 H200 Br8 O16 -","8","2","","Shen, Minxing; Kretschmer, Manuel; Brill, Zachary G.; Snyder, Scott A.","Strategies for the Total Synthesis of Diverse Bromo-Chamigrenes.","Organic letters","2016","18","19","5018","5021","10.1021/acs.orglett.6b02478","","","0.71073","MoKα","","0.0848","0.0452","","","0.0983","0.1115","","","","","","1.016","","","","has coordinates","239111","2020-10-21","18:00:00",""
"1555782","6.2175","0.0007","13.6079","0.0015","15.1894","0.0016","90","","93.374","0.003","90","","1282.9","0.2","100","","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H21 Br O -","- C14 H21 Br O -","- C56 H84 Br4 O4 -","4","1","","Shen, Minxing; Kretschmer, Manuel; Brill, Zachary G.; Snyder, Scott A.","Strategies for the Total Synthesis of Diverse Bromo-Chamigrenes.","Organic letters","2016","18","19","5018","5021","10.1021/acs.orglett.6b02478","","","0.71073","MoKα","","0.04","0.0279","","","0.0656","0.0694","","","","","","1.046","","","","has coordinates","239112","2020-10-21","18:00:00",""
"1555783","31.909","0.002","22.347","0.002","13.1317","0.0009","90","","97.044","0.003","90","","9293.2","1.2","100","2","100","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C15 H25 Br O2 -","- C15 H25 Br O2 -","- C360 H600 Br24 O48 -","24","3","","Shen, Minxing; Kretschmer, Manuel; Brill, Zachary G.; Snyder, Scott A.","Strategies for the Total Synthesis of Diverse Bromo-Chamigrenes.","Organic letters","2016","18","19","5018","5021","10.1021/acs.orglett.6b02478","","","0.71073","MoKα","","0.097","0.0754","","","0.1592","0.1685","","","","","","1.113","","","","has coordinates","239113","2020-10-21","18:00:00",""
"1555784","10.8777","0.0003","11.0084","0.0003","13.1029","0.0004","112.434","0.001","105.665","0.001","98.631","0.001","1338.75","0.07","294","2","294","2","","","","","","","","5","P -1","-P 1","2","","","","- C31 H27 N O6 S -","- C31 H27 N O6 S -","- C62 H54 N2 O12 S2 -","2","1","","Yang, Yanyan; Liu, Hongxu; Peng, Cheng; Wu, Jie; Zhang, Jingyi; Qiao, Yan; Wang, Xiao-Na; Chang, Junbiao","AlCl<sub>3</sub>-Catalyzed Annulations of Ynamides Involving a Torquoselective Process for the Simultaneous Control of Central and Axial Chirality.","Organic letters","2016","18","19","5022","5025","10.1021/acs.orglett.6b02480","","","1.54178","CuKα","","0.0479","0.0393","","","0.158","0.1816","","","","","","0.795","","","","has coordinates","239114","2020-10-21","18:00:00",""
"1555785","10.0018","0.0006","11.5034","0.0006","12.0989","0.0006","88.001","0.002","75.075","0.002","78.255","0.002","1316.69","0.12","273","2","273","2","","","","","","","","5","P -1","-P 1","2","","","","- C31 H25 N O7 S -","- C31 H25 N O7 S -","- C62 H50 N2 O14 S2 -","2","1","","Yang, Yanyan; Liu, Hongxu; Peng, Cheng; Wu, Jie; Zhang, Jingyi; Qiao, Yan; Wang, Xiao-Na; Chang, Junbiao","AlCl<sub>3</sub>-Catalyzed Annulations of Ynamides Involving a Torquoselective Process for the Simultaneous Control of Central and Axial Chirality.","Organic letters","2016","18","19","5022","5025","10.1021/acs.orglett.6b02480","","","0.71073","MoKα","","0.0592","0.0449","","","0.1419","0.1684","","","","","","0.725","","","","has coordinates","239115","2020-10-21","18:00:00",""
"1555786","11.089","0.002","21.075","0.004","12.128","0.002","90","","97.24","0.03","90","","2811.7","0.9","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C32 H29 N O6 S -","- C32 H29 N O6 S -","- C128 H116 N4 O24 S4 -","4","1","","Yang, Yanyan; Liu, Hongxu; Peng, Cheng; Wu, Jie; Zhang, Jingyi; Qiao, Yan; Wang, Xiao-Na; Chang, Junbiao","AlCl<sub>3</sub>-Catalyzed Annulations of Ynamides Involving a Torquoselective Process for the Simultaneous Control of Central and Axial Chirality.","Organic letters","2016","18","19","5022","5025","10.1021/acs.orglett.6b02480","","","0.71073","MoKα","","0.0747","0.0645","","","0.1919","0.1994","","","","","","1.295","","","","has coordinates","239116","2020-10-21","18:00:00",""
"1555787","11.544","0.002","14.011","0.003","17.128","0.003","90","","99.02","0.03","90","","2736.1","0.9","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C32 H29 N O6 S -","- C32 H29 N O6 S -","- C128 H116 N4 O24 S4 -","4","1","","Yang, Yanyan; Liu, Hongxu; Peng, Cheng; Wu, Jie; Zhang, Jingyi; Qiao, Yan; Wang, Xiao-Na; Chang, Junbiao","AlCl<sub>3</sub>-Catalyzed Annulations of Ynamides Involving a Torquoselective Process for the Simultaneous Control of Central and Axial Chirality.","Organic letters","2016","18","19","5022","5025","10.1021/acs.orglett.6b02480","","","0.71073","MoKα","","0.0744","0.0673","","","0.2052","0.2122","","","","","","1.42","","","","has coordinates","239117","2020-10-21","18:00:00",""
"1555788","9.6744","0.0019","11.557","0.002","12.09","0.002","86.67","0.03","80.45","0.03","87.22","0.03","1329.7","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C31 H27 N O6 S -","- C31 H27 N O6 S -","- C62 H54 N2 O12 S2 -","2","1","","Yang, Yanyan; Liu, Hongxu; Peng, Cheng; Wu, Jie; Zhang, Jingyi; Qiao, Yan; Wang, Xiao-Na; Chang, Junbiao","AlCl<sub>3</sub>-Catalyzed Annulations of Ynamides Involving a Torquoselective Process for the Simultaneous Control of Central and Axial Chirality.","Organic letters","2016","18","19","5022","5025","10.1021/acs.orglett.6b02480","","","0.71073","MoKα","","0.1136","0.0828","","","0.2068","0.2319","","","","","","1.149","","","","has coordinates","239118","2020-10-21","18:00:00",""
"1555789","17.864","0.003","23.111","0.004","18.348","0.003","90","","110.537","0.003","90","","7094","2","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C74 H18 F30 N8 -","- C74 H18 F30 N8 -","- C296 H72 F120 N32 -","4","1","","Kong, Jiahui; Zhang, Qiong; Savage, Mathew; Li, Minzhi; Li, Xin; Yang, Sihai; Liang, Xu; Zhu, Weihua; Ågren, Hans; Xie, Yongshu","Tetra- and Octapyrroles Synthesized from Confusion and Fusion Approaches.","Organic letters","2016","18","19","5046","5049","10.1021/acs.orglett.6b02495","","","0.71073","MoKα","","0.1223","0.0716","","","0.2039","0.2304","","","","","","0.997","","","","has coordinates","239119","2020-10-21","18:00:00",""
"1555790","16.2619","0.0011","30.2509","0.0007","10.0784","0.0007","90","","133.451","0.011","90","","3599.3","0.7","393","2","393","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C40 H18 F15 N5 O -","- C40 H18 F15 N5 O -","- C160 H72 F60 N20 O4 -","4","1","","Kong, Jiahui; Zhang, Qiong; Savage, Mathew; Li, Minzhi; Li, Xin; Yang, Sihai; Liang, Xu; Zhu, Weihua; Ågren, Hans; Xie, Yongshu","Tetra- and Octapyrroles Synthesized from Confusion and Fusion Approaches.","Organic letters","2016","18","19","5046","5049","10.1021/acs.orglett.6b02495","","","1.54184","CuKα","","0.0553","0.0454","","","0.1155","0.122","","","","","","1.043","","","","has coordinates","239120","2020-10-21","18:00:00",""
"1555791","12.7733","0.0012","12.9992","0.0013","14.5801","0.0017","95.103","0.001","107.136","0.002","114.829","0.003","2035.5","0.4","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C43 H19 Cl2 F15 N4 Ni O2 -","- C43 H19 Cl2 F15 N4 Ni O2 -","- C86 H38 Cl4 F30 N8 Ni2 O4 -","2","1","","Kong, Jiahui; Zhang, Qiong; Savage, Mathew; Li, Minzhi; Li, Xin; Yang, Sihai; Liang, Xu; Zhu, Weihua; Ågren, Hans; Xie, Yongshu","Tetra- and Octapyrroles Synthesized from Confusion and Fusion Approaches.","Organic letters","2016","18","19","5046","5049","10.1021/acs.orglett.6b02495","","","1.54178","CuKα","","0.2027","0.0927","","","0.1486","0.1916","","","","","","1.061","","","","has coordinates","239121","2020-10-21","18:00:00",""
"1555792","10.4528","0.0003","14.3902","0.0004","8.7251","0.0003","90","","92.7628","0.0015","90","","1310.89","0.07","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C30 H24 N2 O4 S2 -","- C30 H24 N2 O4 S2 -","- C60 H48 N4 O8 S4 -","2","0.5","","Seo, Boram; Kim, Ya Gob; Lee, Phil Ho","Synthesis of Isothiazole via the Rhodium-Catalyzed Transannulation of 1,2,3-Thiadiazoles with Nitriles.","Organic letters","2016","18","19","5050","5053","10.1021/acs.orglett.6b02499","","","0.71073","MoKα","","0.1038","0.0913","","","0.239","0.2587","","","","","","1","","","","has coordinates","239122","2020-10-21","18:00:00",""
"1555793","7.9207","0.0011","9.0758","0.0012","11.1924","0.0015","80.79","0.008","71.85","0.008","65.087","0.007","693.02","0.17","170","2","170","2","","","","","","","","6","P 1","P 1","1","","","","- C30 H22 Br2 N2 O4 S2 -","- C30 H22 Br2 N2 O4 S2 -","- C30 H22 Br2 N2 O4 S2 -","1","1","","Seo, Boram; Kim, Ya Gob; Lee, Phil Ho","Synthesis of Isothiazole via the Rhodium-Catalyzed Transannulation of 1,2,3-Thiadiazoles with Nitriles.","Organic letters","2016","18","19","5050","5053","10.1021/acs.orglett.6b02499","","","0.71073","MoKα","","0.0783","0.0435","","","0.0848","0.0968","","","","","","1.008","","","","has coordinates","239123","2020-10-21","18:00:00",""
"1555794","9.5374","0.0011","9.5911","0.0012","9.782","0.001","102.386","0.005","108.954","0.004","91.485","0.006","822.15","0.17","223","2","223","2","","","","","","","","6","P -1","-P 1","2","","","","- C18 H14 Br N O2 S -","- C18 H14 Br N O2 S -","- C36 H28 Br2 N2 O4 S2 -","2","1","","Seo, Boram; Kim, Ya Gob; Lee, Phil Ho","Synthesis of Isothiazole via the Rhodium-Catalyzed Transannulation of 1,2,3-Thiadiazoles with Nitriles.","Organic letters","2016","18","19","5050","5053","10.1021/acs.orglett.6b02499","","","0.71073","MoKα","","0.0455","0.0327","","","0.0841","0.0904","","","","","","1.038","","","","has coordinates","239124","2020-10-21","18:00:00",""
"1555795","16.487","0.002","19.2778","0.0017","18.1092","0.0018","90","","101.874","0.011","90","","5632.5","1","171","4","171","4","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C66 H62 Cl6 N4 -","- C66 H62 Cl6 N4 -","- C264 H248 Cl24 N16 -","4","1","","Zhu, Huangtianzhi; Shi, Bingbing; Chen, Kexian; Wei, Peifa; Xia, Danyu; Mondal, Julfikar Hassan; Huang, Feihe","Cyclo[4]carbazole, an Iodide Anion Macrocyclic Receptor.","Organic letters","2016","18","19","5054","5057","10.1021/acs.orglett.6b02500","","x-ray","0.71073","MoKα","","0.1701","0.1013","","","0.2657","0.3038","","","","","","0.961","","","","has coordinates","239125","2020-10-21","18:00:00",""
"1555796","31.6291","0.0013","31.6291","0.0013","12.7824","0.0005","90","","90","","120","","11074.3","0.8","170.3","","170.3","","","","","","","","","3","R -3 :H","-R 3","148","","","","- C64 H60 N4 -","- C64 H60 N4 -","- C576 H540 N36 -","9","0.5","","Zhu, Huangtianzhi; Shi, Bingbing; Chen, Kexian; Wei, Peifa; Xia, Danyu; Mondal, Julfikar Hassan; Huang, Feihe","Cyclo[4]carbazole, an Iodide Anion Macrocyclic Receptor.","Organic letters","2016","18","19","5054","5057","10.1021/acs.orglett.6b02500","","","0.71073","MoKα","","0.1051","0.0837","","","0.2344","0.2639","","","","","","1.026","","","","has coordinates,has disorder","239126","2020-10-21","18:00:00",""
"1555797","7.9712","0.0012","7.3926","0.0012","23.378","0.004","90","","94.406","0.002","90","","1373.5","0.4","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C18 H15 N O3 -","- C18 H15 N O3 -","- C72 H60 N4 O12 -","4","1","","Jia, Feng-Cheng; Xu, Cheng; Zhou, Zhi-Wen; Cai, Qun; Wu, Yan-Dong; Wu, An-Xin","Substrates as Electron-Donor Precursors: Synthesis of Naphtho-Fused Oxindoles via Benzannulation of 2-Halobenzaldehydes and Indolin-2-ones.","Organic letters","2016","18","20","5232","5235","10.1021/acs.orglett.6b02515","","","0.71073","MoKα","","0.046","0.0425","","","0.1203","0.125","","","","","","1.012","","","","has coordinates","239127","2020-10-21","18:00:00",""
"1555798","8.338","0.003","8.477","0.003","9.528","0.003","93.456","0.005","101.166","0.005","104.331","0.005","636","0.4","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C17 H13 N O2 -","- C17 H13 N O2 -","- C34 H26 N2 O4 -","2","1","","Jia, Feng-Cheng; Xu, Cheng; Zhou, Zhi-Wen; Cai, Qun; Wu, Yan-Dong; Wu, An-Xin","Substrates as Electron-Donor Precursors: Synthesis of Naphtho-Fused Oxindoles via Benzannulation of 2-Halobenzaldehydes and Indolin-2-ones.","Organic letters","2016","18","20","5232","5235","10.1021/acs.orglett.6b02515","","","0.71073","MoKα","","0.0716","0.0576","","","0.1687","0.1843","","","","","","1.07","","","","has coordinates","239128","2020-10-21","18:00:00",""
"1555799","14.933","0.004","5.3922","0.0015","25.637","0.007","90","","90","","90","","2064.3","1","296","2","296","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C15 H9 N O -","- C15 H9 N O -","- C120 H72 N8 O8 -","8","2","","Jia, Feng-Cheng; Xu, Cheng; Zhou, Zhi-Wen; Cai, Qun; Wu, Yan-Dong; Wu, An-Xin","Substrates as Electron-Donor Precursors: Synthesis of Naphtho-Fused Oxindoles via Benzannulation of 2-Halobenzaldehydes and Indolin-2-ones.","Organic letters","2016","18","20","5232","5235","10.1021/acs.orglett.6b02515","","","0.71073","MoKα","","0.0712","0.0476","","","0.1281","0.1456","","","","","","0.995","","","","has coordinates","275434","2022-05-16","05:31:57",""
"1555800","7.2723","0.001","12.1743","0.0016","13.9939","0.0018","90","","90","","90","","1239","0.3","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C17 H13 N O -","- C17 H13 N O -","- C68 H52 N4 O4 -","4","1","","Jia, Feng-Cheng; Xu, Cheng; Zhou, Zhi-Wen; Cai, Qun; Wu, Yan-Dong; Wu, An-Xin","Substrates as Electron-Donor Precursors: Synthesis of Naphtho-Fused Oxindoles via Benzannulation of 2-Halobenzaldehydes and Indolin-2-ones.","Organic letters","2016","18","20","5232","5235","10.1021/acs.orglett.6b02515","","","0.71073","MoKα","","0.0485","0.0425","","","0.1173","0.1235","","","","","","1.058","","","","has coordinates","239131","2020-10-21","18:00:00",""
"1555801","8.2974","0.0004","13.684","0.0006","15.775","0.0008","90","","90","","90","","1791.12","0.15","290.83","0.1","290.83","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C21 H17 Br O2 -","- C21 H17 Br O2 -","- C84 H68 Br4 O8 -","4","1","","Chen, Tao; Li, Yi-Fan; An, Yang; Zhang, Fu-Min","Iron-Catalyzed α-Arylation of Deoxybenzoins with Arenes through an Oxidative Dehydrogenative Approach.","Organic letters","2016","18","18","4754","4757","10.1021/acs.orglett.6b02516","","x-ray","0.71073","MoKα","","0.0827","0.0464","","","0.0774","0.09","","","","","","1.031","","","","has coordinates","239132","2020-10-21","18:00:00",""
"1555802","10.0284","0.0006","17.8821","0.0006","10.2286","0.0004","90","","98.735","0.004","90","","1813.01","0.14","290.83","0.1","290.83","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C21 H16 Cl2 O2 -","- C21 H16 Cl2 O2 -","- C84 H64 Cl8 O8 -","4","1","","Chen, Tao; Li, Yi-Fan; An, Yang; Zhang, Fu-Min","Iron-Catalyzed α-Arylation of Deoxybenzoins with Arenes through an Oxidative Dehydrogenative Approach.","Organic letters","2016","18","18","4754","4757","10.1021/acs.orglett.6b02516","","x-ray","0.71073","MoKα","","0.0776","0.0508","","","0.1095","0.1279","","","","","","1.046","","","","has coordinates","239133","2020-10-21","18:00:00",""
"1555803","7.5712","0.0004","8.8981","0.0007","14.6818","0.0011","76.585","0.007","82.407","0.005","74.099","0.006","922.81","0.12","290.83","0.1","290.83","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C21 H16 Cl2 O2 -","- C21 H16 Cl2 O2 -","- C42 H32 Cl4 O4 -","2","1","","Chen, Tao; Li, Yi-Fan; An, Yang; Zhang, Fu-Min","Iron-Catalyzed α-Arylation of Deoxybenzoins with Arenes through an Oxidative Dehydrogenative Approach.","Organic letters","2016","18","18","4754","4757","10.1021/acs.orglett.6b02516","","x-ray","0.71073","MoKα","","0.0871","0.0493","","","0.0967","0.1217","","","","","","1.052","","","","has coordinates","239134","2020-10-21","18:00:00",""
"1555804","10.098","0.0011","12.6554","0.0014","15.8728","0.0016","103.793","0.001","91.637","0.001","111.127","0.002","1822.8","0.3","113","2","113","2","","","","","","","","3","P -1","-P 1","2","","","","- C25 H18 N2 -","- C25 H18 N2 -","- C100 H72 N8 -","4","2","","Zhou, Tao; Wang, Yanwei; Li, Bin; Wang, Baiquan","Rh(III)-Catalyzed Carbocyclization of 3-(Indolin-1-yl)-3-oxopropanenitriles with Alkynes and Alkenes through C-H Activation.","Organic letters","2016","18","19","5066","5069","10.1021/acs.orglett.6b02521","","","0.71073","MoKα","","0.0418","0.0378","","","0.1046","0.107","","","","","","1.07","","","","has coordinates","239135","2020-10-21","18:00:00",""
"1555805","11.17","0.002","16.077","0.003","8.4209","0.0018","90","","108.359","0.004","90","","1435.3","0.5","113","2","113","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C20 H16 N2 -","- C20 H16 N2 -","- C80 H64 N8 -","4","1","","Zhou, Tao; Wang, Yanwei; Li, Bin; Wang, Baiquan","Rh(III)-Catalyzed Carbocyclization of 3-(Indolin-1-yl)-3-oxopropanenitriles with Alkynes and Alkenes through C-H Activation.","Organic letters","2016","18","19","5066","5069","10.1021/acs.orglett.6b02521","","","0.71073","MoKα","","0.0404","0.036","","","0.1019","0.1051","","","","","","1.035","","","","has coordinates","239135","2020-10-21","18:00:00",""
"1555806","11.1107","0.0012","9.7397","0.001","15.8289","0.0016","90","","101.488","0.002","90","","1678.6","0.3","113","2","113","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C25 H16 N2 -","- C25 H16 N2 -","- C100 H64 N8 -","4","1","","Zhou, Tao; Wang, Yanwei; Li, Bin; Wang, Baiquan","Rh(III)-Catalyzed Carbocyclization of 3-(Indolin-1-yl)-3-oxopropanenitriles with Alkynes and Alkenes through C-H Activation.","Organic letters","2016","18","19","5066","5069","10.1021/acs.orglett.6b02521","","","0.71073","MoKα","","0.0412","0.0368","","","0.0998","0.1028","","","","","","1.057","","","","has coordinates","239135","2020-10-21","18:00:00",""
"1555807","10.6778","0.0012","15.1304","0.0017","20.376","0.002","90","","90","","90","","3291.9","0.6","113","","113","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C19 H20 N2 O3 -","- C19 H20 N2 O3 -","- C152 H160 N16 O24 -","8","1","","Zhou, Tao; Wang, Yanwei; Li, Bin; Wang, Baiquan","Rh(III)-Catalyzed Carbocyclization of 3-(Indolin-1-yl)-3-oxopropanenitriles with Alkynes and Alkenes through C-H Activation.","Organic letters","2016","18","19","5066","5069","10.1021/acs.orglett.6b02521","","","0.71073","MoKα","","0.0379","0.035","","","0.0972","0.0994","","","","","","1.076","","","","has coordinates,has disorder","239135","2020-10-21","18:00:00",""
"1555808","5.86821","0.00012","16.6995","0.0003","20.8172","0.0005","90","","90","","90","","2040.01","0.07","293","","293","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C24 H19 F N2 O3 -","- C24 H19 F N2 O3 -","- C96 H76 F4 N8 O12 -","4","1","","Guo, Songsong; Liu, Xiaohua; Shen, Bin; Lin, Lili; Feng, Xiaoming","Organocatalytic Asymmetric Cascade Reaction of 2-Hydroxyphenyl-Substituted Enones and Isocyanates To Construct 1,3-Benzoxazin-2-ones.","Organic letters","2016","18","19","5070","5073","10.1021/acs.orglett.6b02522","","x-ray","1.54184","CuKα","","0.0553","0.0503","","","0.1358","0.1434","","","","","","1.039","","","","has coordinates","239136","2020-10-21","18:00:00",""
"1555809","12.179","0.003","12.639","0.003","15.612","0.003","95.437","0.005","101.771","0.005","115.319","0.005","2081.2","0.8","296","","296","","","","","","","","","6","P -1","-P 1","2","","","","- C23 H22 Cl N O3 S -","- C20 H24 Cl N O3 S -","- C80 H96 Cl4 N4 O12 S4 -","4","2","","Yabuuchi, Yuto; Kuzuguchi, Takeo; Yoshimura, Tomoyuki; Matsuo, Jun-Ichi","Synthesis of α-Halo-γ-hydroxyenamides by Titanium Tetrahalide Mediated Addition of Aldehydes or Ketones to Ynamides.","Organic letters","2016","18","19","4951","4953","10.1021/acs.orglett.6b02526","","","0.71075","MoKα","","0.1163","0.056","","","0.1569","0.2262","","","","","","1.141","","","","has coordinates","239137","2020-10-21","18:00:00",""
"1555810","30.1678","0.0018","8.0311","0.0007","14.2794","0.001","90","","100.975","0.0018","90","","3396.4","0.4","296","","296","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C17 H18 Cl N O2 S -","- C17 H18 Cl N O2 S -","- C136 H144 Cl8 N8 O16 S8 -","8","1","","Yabuuchi, Yuto; Kuzuguchi, Takeo; Yoshimura, Tomoyuki; Matsuo, Jun-Ichi","Synthesis of α-Halo-γ-hydroxyenamides by Titanium Tetrahalide Mediated Addition of Aldehydes or Ketones to Ynamides.","Organic letters","2016","18","19","4951","4953","10.1021/acs.orglett.6b02526","","","0.71075","MoKα","","","0.043","","","","0.1313","","","","","","1.082","","","","has coordinates","239138","2020-10-21","18:00:00",""
"1555811","19.24","0.004","21.296","0.004","14.917","0.003","90","","111.847","0.002","90","","5673","2","173.15","","173.15","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C35 H31 N7 -","- C35 H31 N7 -","- C280 H248 N56 -","8","2","","Liu, Yang; Long, Chao; Zhao, Liang; Wang, Mei-Xiang","Functionalization of Azacalixaromatics by Cu(II)-Catalyzed Oxidative Cross-Coupling Reaction between the Arene C-H Bond and Boronic Acids.","Organic letters","2016","18","19","5078","5081","10.1021/acs.orglett.6b02530","","","0.71073","MoKα","","0.094","0.0775","","","0.1335","0.1403","","","","","","1.234","","","","has coordinates","239139","2020-10-21","18:00:00",""
"1555812","17.296","0.0012","10.5965","0.0007","15.8781","0.0012","90","","101.794","0.008","90","","2848.7","0.4","180","0.1","180","0.1","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C35 H31 N7 -","- C35 H31 N7 -","- C140 H124 N28 -","4","1","","Liu, Yang; Long, Chao; Zhao, Liang; Wang, Mei-Xiang","Functionalization of Azacalixaromatics by Cu(II)-Catalyzed Oxidative Cross-Coupling Reaction between the Arene C-H Bond and Boronic Acids.","Organic letters","2016","18","19","5078","5081","10.1021/acs.orglett.6b02530","","","0.71073","MoKα","","0.1145","0.057","","","0.1082","0.1386","","","","","","1.076","","","","has coordinates","239140","2020-10-21","18:00:00",""
"1555813","9.3674","0.0005","22.177","0.0012","11.7","0.0007","90","","106.835","0.002","90","","2326.4","0.2","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C27 H23 N O4 S -","- C27 H23 N O4 S -","- C108 H92 N4 O16 S4 -","4","1","","Guo, Songjin; Yuan, Kai; Gu, Meng; Lin, Aijun; Yao, Hequan","Rh(III)-Catalyzed Cascade Annulation/C-H Activation of o-Ethynylanilines with Diazo Compounds: One-Pot Synthesis of Benzo[a]carbazoles via 1,4-Rhodium Migration.","Organic letters","2016","18","20","5236","5239","10.1021/acs.orglett.6b02534","","","0.71073","MoKα","","0.1088","0.0672","","","0.1842","0.204","","","","","","1.09","","","","has coordinates","239141","2020-10-21","18:00:00",""
"1555814","9.7091","0.0015","10.2062","0.0017","12.3","0.002","79.629","0.014","69.436","0.015","72.515","0.014","1084.7","0.3","173","","173","","","","","","","","","4","P -1","-P 1","2","","","","- C27 H24 O S2 -","- C27 H24 O S2 -","- C54 H48 O2 S4 -","2","1","","Liang, Yongping; Lai, Junshan; Liu, Teng; Tang, Shouchu","Direct Regioselective [3 + 2]-Cyclization Reactions of Ambivalent Electrophilic/Nucleophilic β-Chlorovinyl Dithianes: Access to Cyclopentene Derivatives.","Organic letters","2016","18","19","5086","5089","10.1021/acs.orglett.6b02536","","x-ray","0.71073","MoKα","","0.0608","0.0424","","","0.0859","0.0987","","","","","","1.059","","","","has coordinates","239142","2020-10-21","18:00:00",""
"1555815","15.4129","0.0003","9.30538","0.00016","15.704","0.0003","90","","99.233","0.0019","90","","2223.13","0.07","291.48","0.1","291.48","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C27 H24 O S2 -","- C27 H24 O S2 -","- C108 H96 O4 S8 -","4","1","","Liang, Yongping; Lai, Junshan; Liu, Teng; Tang, Shouchu","Direct Regioselective [3 + 2]-Cyclization Reactions of Ambivalent Electrophilic/Nucleophilic β-Chlorovinyl Dithianes: Access to Cyclopentene Derivatives.","Organic letters","2016","18","19","5086","5089","10.1021/acs.orglett.6b02536","","x-ray","1.54184","CuKα","","0.0446","0.0384","","","0.1016","0.1084","","","","","","1.039","","","","has coordinates","239143","2020-10-21","18:00:00",""
"1555816","6.2163","0.0006","23.306","0.002","11.8875","0.0012","90","","96.96","0.001","90","","1709.5","0.3","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H17 Cl O4 -","- C20 H17 Cl O4 -","- C80 H68 Cl4 O16 -","4","1","","Zhang, Ming-Liang; Wu, Zhi-Jun; Zhao, Jian-Qiang; Luo, Yuan; Xu, Xiao-Ying; Zhang, Xiao-Mei; Yuan, Wei-Cheng","Michael Addition-Lactonization of Arylacetyl Phosphonate to β,γ-Unsaturated α-Keto Esters for the Synthesis of Chiral syn-3,4-Dihydropyranones and 5,6-Dihydropyranones.","Organic letters","2016","18","19","5110","5113","10.1021/acs.orglett.6b02558","","","0.71073","MoKα","","0.0433","0.0393","","","0.1041","0.1069","","","","","","1.092","","","","has coordinates","239144","2020-10-21","18:00:00",""
"1555817","6.86","0.001","10.8272","0.0016","22.448","0.003","90","","90","","90","","1667.3","0.4","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C19 H15 Br O4 -","- C19 H15 Br O4 -","- C76 H60 Br4 O16 -","4","1","","Zhang, Ming-Liang; Wu, Zhi-Jun; Zhao, Jian-Qiang; Luo, Yuan; Xu, Xiao-Ying; Zhang, Xiao-Mei; Yuan, Wei-Cheng","Michael Addition-Lactonization of Arylacetyl Phosphonate to β,γ-Unsaturated α-Keto Esters for the Synthesis of Chiral syn-3,4-Dihydropyranones and 5,6-Dihydropyranones.","Organic letters","2016","18","19","5110","5113","10.1021/acs.orglett.6b02558","","","0.71073","MoKα","","0.0381","0.0286","","","0.0585","0.061","","","","","","1.013","","","","has coordinates","239145","2020-10-21","18:00:00",""
"1555818","7.4297","0.0009","13.2923","0.0017","23.557","0.003","90","","90","","90","","2326.4","0.5","193","2","193","2","","","","","","","","5","P 2 21 21","P 2bc 2","18","","","","- C29 H23 O2 P Se -","- C29 H23 O2 P Se -","- C116 H92 O8 P4 Se4 -","4","1","","Maekawa, Yuuki; Maruyama, Toshifumi; Murai, Toshiaki","Sequential Deprotonation-Alkylation of Binaphthyloxy-Substituted Phosphonochalcogenoates: Chiral Tri- and Tetrasubstituted Carbon Centers Adjacent to a Phosphorus Atom.","Organic letters","2016","18","20","5264","5267","10.1021/acs.orglett.6b02578","","","0.71075","MoKα","","0.0325","0.0278","","","0.0477","0.0494","","","","","","1.01","","","","has coordinates","239146","2020-10-21","18:00:00",""
"1555819","7.48","0.002","16.779","0.004","19.319","0.005","90","","90","","90","","2424.7","1.1","193","2","193","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C30 H25 O2 P Se -","- C30 H25 O2 P Se -","- C120 H100 O8 P4 Se4 -","4","1","","Maekawa, Yuuki; Maruyama, Toshifumi; Murai, Toshiaki","Sequential Deprotonation-Alkylation of Binaphthyloxy-Substituted Phosphonochalcogenoates: Chiral Tri- and Tetrasubstituted Carbon Centers Adjacent to a Phosphorus Atom.","Organic letters","2016","18","20","5264","5267","10.1021/acs.orglett.6b02578","","","0.71075","MoKα","","0.1112","0.0665","","","0.1068","0.1273","","","","","","1.035","","","","has coordinates","239147","2020-10-21","18:00:00",""
"1555820","11.8545","0.0012","15.6874","0.0016","16.0313","0.0017","90","","90","","90","","2981.3","0.5","193","2","193","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C36 H27 O4 P Se -","- C36 H29 O3 P Se -","- C144 H116 O12 P4 Se4 -","4","1","","Maekawa, Yuuki; Maruyama, Toshifumi; Murai, Toshiaki","Sequential Deprotonation-Alkylation of Binaphthyloxy-Substituted Phosphonochalcogenoates: Chiral Tri- and Tetrasubstituted Carbon Centers Adjacent to a Phosphorus Atom.","Organic letters","2016","18","20","5264","5267","10.1021/acs.orglett.6b02578","","","0.71075","MoKα","","0.0528","0.0483","","","0.1355","0.1407","","","","","","1.03","","","","has coordinates","239148","2020-10-21","18:00:00",""
"1555821","8.4714","0.0001","6.2472","0.00006","17.1326","0.0003","90","","101.606","0.002","90","","888.16","0.02","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C21 H22 O5 -","- C21 H22 O5 -","- C42 H44 O10 -","2","1","","Akula, Ramulu; Guiry, Patrick J.","Enantioselective Synthesis of α-Allyl-α-aryldihydrocoumarins and 3-Isochromanones via Pd-Catalyzed Decarboxylative Asymmetric Allylic Alkylation.","Organic letters","2016","18","21","5472","5475","10.1021/acs.orglett.6b02584","","","1.54184","CuKα","","0.0295","0.0277","","","0.0708","0.0723","","","","","","1.044","","","","has coordinates","239149","2020-10-21","18:00:00",""
"1555822","7.5079","0.0009","14.0053","0.0017","29.564","0.004","90","","90","","90","","3108.7","0.7","293","2","293","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C21 H18 O2 -","- C21 H18 O2 -","- C168 H144 O16 -","8","1","","Li, Deng Yuan; Jiang, Liang Liang; Chen, Shuang; Huang, Zheng Lu; Dang, Li; Wu, Xin Yan; Liu, Pei Nian","Cascade Reaction of Alkynols and 7-Oxabenzonorbornadienes Involving Transient Hemiketal Group Directed C-H Activation and Synergistic Rh<sup>III</sup>/Sc<sup>III</sup> Catalysis.","Organic letters","2016","18","19","5134","5137","10.1021/acs.orglett.6b02587","","","0.71073","MoKα","","0.0656","0.049","","","0.1201","0.1313","","","","","","1.037","","","","has coordinates","239150","2020-10-21","18:00:00",""
"1555823","16.6039","0.0015","12.5136","0.0011","9.0084","0.0008","90","","101.188","0.0018","90","","1836.1","0.3","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C23 H21 Br2 N2 O -","- C23 H12 Br2 N2 O -","- C92 H48 Br8 N8 O4 -","4","1","","Lin, Dongqing; Wei, Ying; Ou, Changjin; Huang, Hao; Xie, Linghai; Tang, Lei; Huang, Wei","Carbon Cationic Relay via Superelectrophiles: Synthesis of Spiro-diazafluorenes.","Organic letters","2016","18","24","6220","6223","10.1021/acs.orglett.6b02595","","x-ray","0.71073","MoKα","","0.1043","0.0871","","","0.1733","0.1823","","","","","","1.148","","","","has coordinates","239151","2020-10-21","18:00:00",""
"1555824","9.7672","0.0004","11.7742","0.0004","24.7073","0.0009","101.224","0.001","93.188","0.001","112.05","0.001","2557.16","0.17","100","","100","","","","","","","","","4","P -1","-P 1","2","","","","- C27 H28 O9 S -","- C27 H28 O9 S -","- C108 H112 O36 S4 -","4","2","","Huang, Lin; Ye, Liu; Li, Xiao-Hua; Li, Zhong-Liang; Lin, Jin-Shun; Liu, Xin-Yuan","Stereoselective Radical Cyclization Cascades Triggered by Addition of Diverse Radicals to Alkynes To Construct 6(5)-6-5 Fused Rings.","Organic letters","2016","18","20","5284","5287","10.1021/acs.orglett.6b02599","","","1.54178","CuKα","","0.0344","0.0341","","","0.0858","0.0861","","","","","","1.028","","","","has coordinates","239152","2020-10-21","18:00:00",""
"1555825","6.9696","0.0012","7.0783","0.0012","16.56","0.003","101.962","0.006","93.626","0.006","94.073","0.006","794.6","0.2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C16 H10 Br F3 N2 O -","- C16 H10 Br F3 N2 O -","- C32 H20 Br2 F6 N4 O2 -","2","1","","Huang, Lin; Ye, Liu; Li, Xiao-Hua; Li, Zhong-Liang; Lin, Jin-Shun; Liu, Xin-Yuan","Stereoselective Radical Cyclization Cascades Triggered by Addition of Diverse Radicals to Alkynes To Construct 6(5)-6-5 Fused Rings.","Organic letters","2016","18","20","5284","5287","10.1021/acs.orglett.6b02599","","","0.71073","MoKα","","0.0346","0.0308","","","0.0808","0.0831","","","","","","1.048","","","","has coordinates","239153","2020-10-21","18:00:00",""
"1555826","7.6607","0.0007","9.2315","0.0007","11.127","0.0008","72.019","0.007","79.887","0.007","74.428","0.007","717.29","0.11","293.6","0.1","293.6","0.1","","","","","","","","3","P 1","P 1","1","","","","- C18 H14 O3 -","- C18 H14 O3 -","- C36 H28 O6 -","2","2","","Zhu, Gongming; Bao, Guangjun; Li, Yiping; Yang, Junxian; Sun, Wangsheng; Li, Jing; Hong, Liang; Wang, Rui","Chiral Phosphoric Acid Catalyzed Asymmetric Oxidative Dearomatization of Naphthols with Quinones.","Organic letters","2016","18","20","5288","5291","10.1021/acs.orglett.6b02609","","x-ray","1.54184","CuKα","","0.0699","0.0429","","","0.0958","0.1185","","","","","","1.056","","","","has coordinates","239154","2020-10-21","18:00:00",""
"1555827","8.542","0.003","10.786","0.004","18.502","0.007","90","","102.652","0.007","90","","1663.3","1.1","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C23 H15 N O -","- C23 H15 N O -","- C92 H60 N4 O4 -","4","1","","Zhang, Fangfang; Qin, Zhengchen; Kong, Lingkai; Zhao, Yulei; Liu, Yuanyuan; Li, Yanzhong","Metal/Benzoyl Peroxide (BPO)-Controlled Chemoselective Cycloisomerization of (o-Alkynyl)phenyl Enaminones: Synthesis of α-Naphthylamines and Indeno[1,2-c]pyrrolones.","Organic letters","2016","18","19","5150","5153","10.1021/acs.orglett.6b02615","","","0.71073","MoKα","","0.0571","0.0407","","","0.1036","0.1135","","","","","","1.037","","","","has coordinates","239155","2020-10-21","18:00:00",""
"1555828","8.369","0.007","9.476","0.008","11.907","0.01","108.133","0.015","106.771","0.016","92.352","0.018","850.3","1.2","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C23 H17 N O -","- C23 H17 N O -","- C46 H34 N2 O2 -","2","1","","Zhang, Fangfang; Qin, Zhengchen; Kong, Lingkai; Zhao, Yulei; Liu, Yuanyuan; Li, Yanzhong","Metal/Benzoyl Peroxide (BPO)-Controlled Chemoselective Cycloisomerization of (o-Alkynyl)phenyl Enaminones: Synthesis of α-Naphthylamines and Indeno[1,2-c]pyrrolones.","Organic letters","2016","18","19","5150","5153","10.1021/acs.orglett.6b02615","","","0.71073","MoKα","","0.1038","0.0745","","","0.1903","0.2213","","","","","","1.025","","","","has coordinates","239156","2020-10-21","18:00:00",""
"1555829","5.5545","0.0008","22.3478","0.0018","25.462","0.003","90","","94.477","0.001","90","","3151","0.6","293","2","293","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C18 H14 N2 O4 -","- C18 H14 N2 O4 -","- C144 H112 N16 O32 -","8","2","","Meng, Ling-Hong; Wang, Chen-Yin; Mándi, Attila; Li, Xiao-Ming; Hu, Xue-Yi; Kassack, Matthias U.; Kurtán, Tibor; Wang, Bin-Gui","Three Diketopiperazine Alkaloids with Spirocyclic Skeletons and One Bisthiodiketopiperazine Derivative from the Mangrove-Derived Endophytic Fungus Penicillium brocae MA-231.","Organic letters","2016","18","20","5304","5307","10.1021/acs.orglett.6b02620","","","1.54178","CuKα","","0.1148","0.0737","","","0.1505","0.168","","","","","","1.163","","","","has coordinates","239157","2020-10-21","18:00:00",""
"1555830","6.7535","0.0002","10.0644","0.0002","12.3488","0.0003","90","","91.205","0.001","90","","839.16","0.04","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","YS-69-53","","","- C18 H20 O7 -","- C18 H20 O7 -","- C36 H40 O14 -","2","1","","Shi, Yunlong; Pierce, Joshua G.","Stereocontrolled Synthesis of (+)-Plagiogyrin A.","Organic letters","2016","18","20","5308","5311","10.1021/acs.orglett.6b02629","","","0.71073","MoKα","","0.0426","0.0362","","","0.0862","0.0909","","","","","","1.02","","","","has coordinates","239158","2020-10-21","18:00:00",""
"1555831","8.8256","0.0003","9.3741","0.0004","10.7509","0.0004","69.044","0.002","81.513","0.002","81.953","0.002","817.85","0.06","100","2","100","2","","","","","","","","3","P -1","-P 1","2","YS-88-24","","","- C18 H20 O7 -","- C18 H20 O7 -","- C36 H40 O14 -","2","1","","Shi, Yunlong; Pierce, Joshua G.","Stereocontrolled Synthesis of (+)-Plagiogyrin A.","Organic letters","2016","18","20","5308","5311","10.1021/acs.orglett.6b02629","","","0.71073","MoKα","","0.0461","0.037","","","0.0895","0.0948","","","","","","1.045","","","","has coordinates","239159","2020-10-21","18:00:00",""
"1555832","9.4188","0.0002","11.1969","0.0003","12.4356","0.0003","101.95","0.002","109.822","0.002","95.373","0.002","1187.75","0.05","100","0.1","100","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C25 H30 N2 O9 -","- C25 H30 N2 O9 -","- C50 H60 N4 O18 -","2","1","","Dwight, Stephen J.; Levin, Sergiy","Scalable Regioselective Synthesis of Rhodamine Dyes.","Organic letters","2016","18","20","5316","5319","10.1021/acs.orglett.6b02635","","x-ray","1.54184","CuKα","","0.0837","0.0722","","","0.2066","0.2233","","","","","","1.048","","","","has coordinates,has disorder","239160","2020-10-21","18:00:00",""
"1555833","8.5998","0.0003","9.2091","0.0005","13.2372","0.0007","84.15","0.004","72.472","0.004","64.512","0.005","901.91","0.09","100","0.1","100","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C22 H21 N O5 -","- C22 H21 N O5 -","- C44 H42 N2 O10 -","2","1","","Dwight, Stephen J.; Levin, Sergiy","Scalable Regioselective Synthesis of Rhodamine Dyes.","Organic letters","2016","18","20","5316","5319","10.1021/acs.orglett.6b02635","","x-ray","0.71073","MoKα","","0.0627","0.0493","","","0.1212","0.13","","","","","","1.042","","","","has coordinates","239161","2020-10-21","18:00:00",""
"1555834","7.26017","0.00016","9.48057","0.00019","11.4368","0.0003","90","","91.943","0.002","90","","786.75","0.03","100.05","0.1","100.05","0.1","","","","","","","","3","P 1 c 1","P -2yc","7","","","","- C9 H6 O5 -","- C9 H6 O5 -","- C36 H24 O20 -","4","2","","Dwight, Stephen J.; Levin, Sergiy","Scalable Regioselective Synthesis of Rhodamine Dyes.","Organic letters","2016","18","20","5316","5319","10.1021/acs.orglett.6b02635","","x-ray","1.54184","CuKα","","0.0415","0.0385","","","0.1005","0.1035","","","","","","1.037","","","","has coordinates,has disorder","239162","2020-10-21","18:00:00",""
"1555835","8.8765","0.0003","9.1065","0.0003","9.7523","0.0003","96.026","0.003","90.185","0.002","110.137","0.003","735.38","0.04","100","0.14","100","0.14","","","","","","","","4","P -1","-P 1","2","","","","- C15 H21 N O5 -","- C15 H21 N O5 -","- C30 H42 N2 O10 -","2","1","","Dwight, Stephen J.; Levin, Sergiy","Scalable Regioselective Synthesis of Rhodamine Dyes.","Organic letters","2016","18","20","5316","5319","10.1021/acs.orglett.6b02635","","x-ray","1.54184","CuKα","","0.0431","0.0381","","","0.1021","0.107","","","","","","1.031","","","","has coordinates","239163","2020-10-21","18:00:00",""
"1555836","12.8414","0.0003","7.46056","0.00017","15.3814","0.0004","90","","101.17","0.003","90","","1445.69","0.06","100.05","0.1","100.05","0.1","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C8 H5 Cl O3 -","- C8 H5 Cl O3 -","- C64 H40 Cl8 O24 -","8","1","","Dwight, Stephen J.; Levin, Sergiy","Scalable Regioselective Synthesis of Rhodamine Dyes.","Organic letters","2016","18","20","5316","5319","10.1021/acs.orglett.6b02635","","x-ray","1.54184","CuKα","","0.0379","0.0355","","","0.087","0.0893","","","","","","1.08","","","","has coordinates","239164","2020-10-21","18:00:00",""
"1555837","9.36155","0.00018","12.6426","0.0002","22.9131","0.0005","90","","90.3246","0.0017","90","","2711.82","0.09","100","0.1","100","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C35 H34 N2 O5 -","- C35 H34 N2 O5 -","- C140 H136 N8 O20 -","4","1","","Dwight, Stephen J.; Levin, Sergiy","Scalable Regioselective Synthesis of Rhodamine Dyes.","Organic letters","2016","18","20","5316","5319","10.1021/acs.orglett.6b02635","","x-ray","1.54184","CuKα","","0.0497","0.0411","","","0.1016","0.1077","","","","","","1.019","","","","has coordinates","239165","2020-10-21","18:00:00",""
"1555838","7.61287","0.0001","18.37433","0.0002","18.9503","0.0002","90","","90","","90","","2650.79","0.05","99.8","0.2","99.8","0.2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C34 H33 Cl N2 O3 -","- C34 H33 Cl N2 O3 -","- C136 H132 Cl4 N8 O12 -","4","1","","Dwight, Stephen J.; Levin, Sergiy","Scalable Regioselective Synthesis of Rhodamine Dyes.","Organic letters","2016","18","20","5316","5319","10.1021/acs.orglett.6b02635","","x-ray","1.54184","CuKα","","0.0638","0.0616","","","0.1543","0.1575","","","","","","1.055","","","","has coordinates","239166","2020-10-21","18:00:00",""
"1555839","8.3659","0.0008","8.5097","0.001","13.3207","0.0017","108.425","0.011","106.74","0.01","90.498","0.009","856.37","0.19","99.95","0.1","99.95","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C21 H20 Cl N O3 -","- C21 H20 Cl N O3 -","- C42 H40 Cl2 N2 O6 -","2","1","","Dwight, Stephen J.; Levin, Sergiy","Scalable Regioselective Synthesis of Rhodamine Dyes.","Organic letters","2016","18","20","5316","5319","10.1021/acs.orglett.6b02635","","x-ray","0.71073","MoKα","","0.15","0.0905","","","0.1475","0.1691","","","","","","1.103","","","","has coordinates","239167","2020-10-21","18:00:00",""
"1555840","9.6296","0.0004","11.8041","0.0007","14.0277","0.0008","96.799","0.005","105.982","0.004","92.907","0.004","1516.29","0.14","100","0.1","100","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C35 H40 N2 O8 -","- C35 H40 N2 O8 -","- C70 H80 N4 O16 -","2","1","","Dwight, Stephen J.; Levin, Sergiy","Scalable Regioselective Synthesis of Rhodamine Dyes.","Organic letters","2016","18","20","5316","5319","10.1021/acs.orglett.6b02635","","x-ray","1.54184","CuKα","","0.0924","0.061","","","0.1563","0.1772","","","","","","1.072","","","","has coordinates,has disorder","239168","2020-10-21","18:00:00",""
"1555841","5.8328","0.0001","14.6676","0.0003","14.1401","0.0003","90","","106.475","0.001","90","","1160.06","0.04","203","2","203","2","","","","","","","synthesis as described","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H13 N2 O S -","- C12 H13 N2 O S -","- C48 H52 N8 O4 S4 -","4","1","","Andeme Edzang, Judicaelle; Chen, Zhongrui; Audi, Hassib; Canard, Gabriel; Siri, Olivier","Transamination at the Crossroad of the One-Pot Synthesis of N-Substituted Quinonediimines and C-Substituted Benzobisimidazoles.","Organic letters","2016","18","20","5340","5343","10.1021/acs.orglett.6b02640","","x-ray","0.71073","MoKα","","0.0687","0.0487","","","0.1383","0.1671","","","","","","1.154","","","","has coordinates","239169","2020-10-21","18:00:00",""
"1555842","6.5009","0.0003","8.0222","0.0006","11.3792","0.0007","85.438","0.006","77.389","0.005","72.879","0.006","553.39","0.06","253","2","253","2","","","","","","","","3","P -1","-P 1","2","","","","- C11 H20 N2 -","- C11 H20 N2 -","- C22 H40 N4 -","2","1","","Andeme Edzang, Judicaelle; Chen, Zhongrui; Audi, Hassib; Canard, Gabriel; Siri, Olivier","Transamination at the Crossroad of the One-Pot Synthesis of N-Substituted Quinonediimines and C-Substituted Benzobisimidazoles.","Organic letters","2016","18","20","5340","5343","10.1021/acs.orglett.6b02640","","x-ray","1.54184","CuKα","","0.0491","0.0443","","","0.1227","0.1284","","","","","","1.051","","","","has coordinates","288248","2023-12-12","12:55:27",""
"1555843","8.8495","0.0006","15.8052","0.0011","14.3121","0.001","90","","95.864","0.002","90","","1991.3","0.2","90","","90","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C25 H24 O4 -","- C25 H24 O4 -","- C100 H96 O16 -","4","1","","Gratia, Synthia; Mosesohn, Kathryn; Diver, Steven T.","Highly Selective Ring Expansion of Bicyclo[3.1.0]hexenes.","Organic letters","2016","18","20","5320","5323","10.1021/acs.orglett.6b02641","","x-ray","0.71073","MoKα","","0.0583","0.0449","","","0.1026","0.1106","","","","","","1.039","","","","has coordinates","239171","2020-10-21","18:00:00",""
"1555844","8.8501","0.001","9.6086","0.0011","10.7805","0.0012","74.645","0.002","86.219","0.002","69.215","0.001","826.09","0.16","173","2","173","2","","","","","","","","3","P -1","-P 1","2","","","","- C21 H22 N2 -","- C21 H22 N2 -","- C42 H44 N4 -","2","1","","Song, Runzhe; Han, Zhaomeng; He, Qiuqin; Fan, Renhua","Amine-Mediated Transimination and Aromatization-Triggered Domino Reaction in the Synthesis of Polyfunctionalized 4-Aminoquinolines.","Organic letters","2016","18","20","5328","5331","10.1021/acs.orglett.6b02643","","","0.71073","MoKα","","0.0574","0.0473","","","0.1443","0.1716","","","","","","1.101","","","","has coordinates","239172","2020-10-21","18:00:00",""
"1555845","8.5881","0.0007","15.4507","0.0011","8.7345","0.0006","90","","99.603","0.008","90","","1142.76","0.15","150","0.1","150","0.1","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C14 H16 O2 -","- C14 H16 O2 -","- C56 H64 O8 -","4","1","","Peng, Yu; Xiao, Jian; Xu, Xiao-Bo; Duan, Shu-Ming; Ren, Li; Shao, Yong-Liang; Wang, Ya-Wen","Stereospecific Synthesis of Tetrahydronaphtho[2,3-b]furans Enabled by a Nickel-Promoted Tandem Reductive Cyclization.","Organic letters","2016","18","19","5170","5173","10.1021/acs.orglett.6b02665","","","1.54184","CuKα","","0.0598","0.0551","","","0.149","0.1555","","","","","","1.058","","","","has coordinates","239173","2020-10-21","18:00:00",""
"1555846","15.8269","0.0002","5.82087","0.00013","20.8138","0.0004","90","","90","","90","","1917.5","0.06","297.9","0.5","297.9","0.5","","","","","","","","3","P c a 21","P 2c -2ac","29","","","","- C22 H22 O7 -","- C22 H22 O7 -","- C88 H88 O28 -","4","1","","Peng, Yu; Xiao, Jian; Xu, Xiao-Bo; Duan, Shu-Ming; Ren, Li; Shao, Yong-Liang; Wang, Ya-Wen","Stereospecific Synthesis of Tetrahydronaphtho[2,3-b]furans Enabled by a Nickel-Promoted Tandem Reductive Cyclization.","Organic letters","2016","18","19","5170","5173","10.1021/acs.orglett.6b02665","","","1.54183","CuKα","","0.0519","0.0503","","","0.1437","0.1466","","","","","","1.05","","","","has coordinates","239174","2020-10-21","18:00:00",""
"1555847","6.8052","0.0004","10.2396","0.0008","15.216","0.0009","90","","100.317","0.006","90","","1043.15","0.12","291.76","0.1","291.76","0.1","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C13 H14 O2 -","- C13 H14 O2 -","- C52 H56 O8 -","4","1","","Peng, Yu; Xiao, Jian; Xu, Xiao-Bo; Duan, Shu-Ming; Ren, Li; Shao, Yong-Liang; Wang, Ya-Wen","Stereospecific Synthesis of Tetrahydronaphtho[2,3-b]furans Enabled by a Nickel-Promoted Tandem Reductive Cyclization.","Organic letters","2016","18","19","5170","5173","10.1021/acs.orglett.6b02665","","","0.71073","MoKα","","0.0656","0.0478","","","0.1127","0.124","","","","","","1.106","","","","has coordinates","239175","2020-10-21","18:00:00",""
"1555848","14.9062","0.0006","8.6079","0.0005","17.2918","0.001","90","","90","","90","","2218.7","0.2","293","2","293","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C14 H14 O2 -","- C14 H14 O2 -","- C112 H112 O16 -","8","1","","Peng, Yu; Xiao, Jian; Xu, Xiao-Bo; Duan, Shu-Ming; Ren, Li; Shao, Yong-Liang; Wang, Ya-Wen","Stereospecific Synthesis of Tetrahydronaphtho[2,3-b]furans Enabled by a Nickel-Promoted Tandem Reductive Cyclization.","Organic letters","2016","18","19","5170","5173","10.1021/acs.orglett.6b02665","","","0.71073","MoKα","","0.1361","0.0889","","","0.2426","0.2934","","","","","","1.047","","","","has coordinates","239176","2020-10-21","18:00:00",""
"1555849","25.983","0.002","5.7576","0.0005","10.4224","0.0011","90","","100.35","0.009","90","","1533.8","0.2","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C16 H22 O4 -","- C16 H22 O4 -","- C64 H88 O16 -","4","1","","Peng, Yu; Xiao, Jian; Xu, Xiao-Bo; Duan, Shu-Ming; Ren, Li; Shao, Yong-Liang; Wang, Ya-Wen","Stereospecific Synthesis of Tetrahydronaphtho[2,3-b]furans Enabled by a Nickel-Promoted Tandem Reductive Cyclization.","Organic letters","2016","18","19","5170","5173","10.1021/acs.orglett.6b02665","","","0.71073","MoKα","","0.1725","0.0845","","","0.2153","0.2818","","","","","","1.035","","","","has coordinates,has disorder","239177","2020-10-21","18:00:00",""
"1555850","8.27","0.005","8.534","0.006","13.743","0.009","90","","90.047","0.006","90","","969.9","1.1","296","2","296","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C12 H12 O2 -","- C12 H12 O2 -","- C48 H48 O8 -","4","1","","Peng, Yu; Xiao, Jian; Xu, Xiao-Bo; Duan, Shu-Ming; Ren, Li; Shao, Yong-Liang; Wang, Ya-Wen","Stereospecific Synthesis of Tetrahydronaphtho[2,3-b]furans Enabled by a Nickel-Promoted Tandem Reductive Cyclization.","Organic letters","2016","18","19","5170","5173","10.1021/acs.orglett.6b02665","","","0.71073","MoKα","","0.0976","0.0719","","","0.1958","0.2265","","","","","","0.934","","","","has coordinates","239178","2020-10-21","18:00:00",""
"1555851","7.236","0.0012","8.5114","0.0015","11.77","0.003","107.206","0.012","104.236","0.013","99.256","0.009","649.5","0.2","296","2","296.15","","","","","","","","","4","P -1","-P 1","2","","(E)-methyl 3-(3-acetyl-1-methyl-1H-indol-2-yl)acrylate","","- C15 H15 N O3 -","- C15 H15 N O3 -","- C30 H30 N2 O6 -","2","1","","Lanke, Veeranjaneyulu; Bettadapur, Kiran R.; Prabhu, Kandikere Ramaiah","Electronic Nature of Ketone Directing Group as a Key To Control C-2 vs C-4 Alkenylation of Indoles.","Organic letters","2016","18","21","5496","5499","10.1021/acs.orglett.6b02698","","","0.71073","MoKα","","0.1352","0.1283","","","0.4228","0.428","","","","","","1.948","","","","has coordinates","239179","2020-10-21","18:00:00",""
"1555852","28.703","0.003","13.0666","0.0014","8.1548","0.0009","90","","106.279","0.007","90","","2935.8","0.6","296","2","296.15","","","","","","","","","5","C 1 c 1","C -2yc","9","","(E)-methyl 3-(1-methyl-3-(2,2,2-trifluoroacetyl)-1H-indol-4-yl)acrylate","","- C15 H12 F3 N O3 -","- C15 H12 F3 N O3 -","- C120 H96 F24 N8 O24 -","8","2","","Lanke, Veeranjaneyulu; Bettadapur, Kiran R.; Prabhu, Kandikere Ramaiah","Electronic Nature of Ketone Directing Group as a Key To Control C-2 vs C-4 Alkenylation of Indoles.","Organic letters","2016","18","21","5496","5499","10.1021/acs.orglett.6b02698","","","0.71073","MoKα","","0.1606","0.1282","","","0.3334","0.352","","","","","","1.22","","","","has coordinates","239179","2020-10-21","18:00:00",""
"1555853","12.0449","0.0008","17.559","0.0003","11.278","0.0002","90","","105.674","0.007","90","","2296.56","0.18","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C23 H23 N O7 S -","- C23 H23 N O7 S -","- C92 H92 N4 O28 S4 -","4","1","","Yuan, Hao; Gong, Jianxian; Yang, Zhen","Stereoselective Synthesis of Oxabicyclo[2.2.1]heptenes via a Tandem Dirhodium(II)-Catalyzed Triazole Denitrogenation and [3 + 2] Cycloaddition.","Organic letters","2016","18","21","5500","5503","10.1021/acs.orglett.6b02703","","","1.54187","CuKα","","0.093","0.0825","","","0.1972","0.2184","","","","","","1.316","","","","has coordinates","239180","2020-10-21","18:00:00",""
"1555854","16.125","0.006","19.416","0.006","9.015","0.003","90","","102.099","0.016","90","","2759.7","1.6","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H31 N O7 S -","- C28 H31 N O7 S -","- C112 H124 N4 O28 S4 -","4","1","","Yuan, Hao; Gong, Jianxian; Yang, Zhen","Stereoselective Synthesis of Oxabicyclo[2.2.1]heptenes via a Tandem Dirhodium(II)-Catalyzed Triazole Denitrogenation and [3 + 2] Cycloaddition.","Organic letters","2016","18","21","5500","5503","10.1021/acs.orglett.6b02703","","","1.54187","CuKα","","0.1165","0.0815","","","0.2105","0.2595","","","","","","1.371","","","","has coordinates,has disorder","239181","2020-10-21","18:00:00",""
"1555855","10.264","0.003","17.364","0.005","21.635","0.007","90","","93.165","0.009","90","","3850","2","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C21 H23 N O3 S -","- C21 H23 N O3 S -","- C168 H184 N8 O24 S8 -","8","2","","Yuan, Hao; Gong, Jianxian; Yang, Zhen","Stereoselective Synthesis of Oxabicyclo[2.2.1]heptenes via a Tandem Dirhodium(II)-Catalyzed Triazole Denitrogenation and [3 + 2] Cycloaddition.","Organic letters","2016","18","21","5500","5503","10.1021/acs.orglett.6b02703","","","1.5418","CuKα","","0.131","0.0915","","","0.2809","0.3499","","","","","","1.176","","","","has coordinates","239182","2020-10-21","18:00:00",""
"1555856","7.5003","0.0003","8.43","0.0002","12.7367","0.0007","91.619","0.004","101.145","0.004","98.005","0.003","781.16","0.06","98","2","98","","","","","","","","","4","P -1","-P 1","2","","","","- C21 H16 N2 O -","- C21 H16 N2 O -","- C42 H32 N4 O2 -","2","1","","Stephens, David E.; Nguyen, Vu T.; Chhetri, Bhuwan; Clark, Emily R.; Arman, Hadi D.; Larionov, Oleg V.","Organocatalytic Synthesis of Methylene-Bridged N-Heterobiaryls.","Organic letters","2016","18","22","5808","5811","10.1021/acs.orglett.6b02719","","","0.71073","MoKα","","0.0608","0.0514","","","0.1247","0.1289","","","","","","1.027","","","","has coordinates","239183","2020-10-21","18:00:00",""
"1555857","9.2699","0.0002","17.2089","0.0003","10.2868","0.0002","90","","104.856","0.0009","90","","1586.14","0.05","150","","150","","","","","","","","synthesis","3","P 1 21/n 1","-P 2yn","14","","","","- C20 H15 N3 -","- C20 H15 N3 -","- C80 H60 N12 -","4","1","","Lamb, Alan D.; Davey, Peter D.; Driver, Russell W.; Thompson, Amber L.; Smith, Martin D.","Enantioselective Synthesis of 4- and 6-Azaindolines by a Cation-Directed Cyclization.","Organic letters","2016","18","20","5372","5375","10.1021/acs.orglett.6b02744","","","0.71073","MoKα","","0.0746","0.0509","","0.1374","0.1121","0.1374","","","","","","0.9466","","","","has coordinates","239184","2020-10-21","18:00:00",""
"1555858","11.6533","0.0002","10.6806","0.0002","13.6153","0.0003","90","","109.726","0.0008","90","","1595.18","0.05","150","","150","","","","","","","","synthesis","3","P 1 21/a 1","-P 2yab","14","","","","- C20 H15 N3 -","- C20 H15 N3 -","- C80 H60 N12 -","4","1","","Lamb, Alan D.; Davey, Peter D.; Driver, Russell W.; Thompson, Amber L.; Smith, Martin D.","Enantioselective Synthesis of 4- and 6-Azaindolines by a Cation-Directed Cyclization.","Organic letters","2016","18","20","5372","5375","10.1021/acs.orglett.6b02744","","","0.71073","MoKα","","0.0649","0.045","","0.1132","0.0989","0.1132","","","","","","0.9395","","","","has coordinates","239184","2020-10-21","18:00:00",""
"1555859","12.2019","0.0001","15.5905","0.0001","21.6362","0.0001","90","","90","","90","","4115.93","0.05","150","","150","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C21 H23 Br N2 O4 -","- C21 H23 Br N2 O4 -","- C168 H184 Br8 N16 O32 -","8","2","","Lamb, Alan D.; Davey, Peter D.; Driver, Russell W.; Thompson, Amber L.; Smith, Martin D.","Enantioselective Synthesis of 4- and 6-Azaindolines by a Cation-Directed Cyclization.","Organic letters","2016","18","20","5372","5375","10.1021/acs.orglett.6b02744","","","1.5418","CuKα","","0.0212","0.0205","","0.0513","0.0509","0.0513","","","","","","1.0028","","","","has coordinates,has disorder","239184","2020-10-21","18:00:00",""
"1555860","32.715","0.006","32.715","0.006","20.819","0.004","90","","90","","90","","22282","7","120","2","120","2","","","","","","","","6","P -4 21 c","P -4 2n","114","","","","- C116 H122 B2 F4 N8 O6 -","- C116 H122 B2 F4 N8 O6 -","- C928 H976 B16 F32 N64 O48 -","8","1","","Uchida, Junji; Nakamura, Takashi; Yamamura, Masaki; Yamaguchi, Gento; Nabeshima, Tatsuya","m-Phenylene-Linked Dipyrrins and Their Boron-Difluoride Complexes as Variously Shaped Macrocyclic Oligomers.","Organic letters","2016","18","20","5380","5383","10.1021/acs.orglett.6b02761","","","0.71073","MoKα","","0.0494","0.0444","","","0.1102","0.1132","","","","","","1.026","","","","has coordinates","239185","2020-10-21","18:00:00",""
"1555861","24.962","0.002","19.0061","0.0018","15.2293","0.0013","90","","104.651","0.006","90","","6990.3","1.1","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C85 H80 N6 O3 -","- C85 H80 N6 O3 -","- C340 H320 N24 O12 -","4","1","","Uchida, Junji; Nakamura, Takashi; Yamamura, Masaki; Yamaguchi, Gento; Nabeshima, Tatsuya","m-Phenylene-Linked Dipyrrins and Their Boron-Difluoride Complexes as Variously Shaped Macrocyclic Oligomers.","Organic letters","2016","18","20","5380","5383","10.1021/acs.orglett.6b02761","","","0.71073","MoKα","","0.1226","0.0595","","","0.1474","0.1821","","","","","","1.013","","","","has coordinates","239186","2020-10-21","18:00:00",""
"1555862","50.36","0.007","16.491","0.002","26.798","0.004","90","","119.019","0.003","90","","19461","5","120","2","120","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C104 H96 N8 O4 -","- C104 H96 N8 O4 -","- C832 H768 N64 O32 -","8","1","","Uchida, Junji; Nakamura, Takashi; Yamamura, Masaki; Yamaguchi, Gento; Nabeshima, Tatsuya","m-Phenylene-Linked Dipyrrins and Their Boron-Difluoride Complexes as Variously Shaped Macrocyclic Oligomers.","Organic letters","2016","18","20","5380","5383","10.1021/acs.orglett.6b02761","","","0.71073","MoKα","","0.1384","0.0815","","","0.1533","0.1681","","","","","","1.073","","","","has coordinates","239187","2020-10-21","18:00:00",""
"1555863","14.8093","0.0017","20.899","0.002","23.578","0.003","85.057","0.001","76.172","0.002","73.381","0.002","6788.6","1.3","120","","120","2","","","","","","","","4","P -1","-P 1","2","","","","- C130 H115 N10 O5 -","- C130 H115 N10 O5 -","- C260 H230 N20 O10 -","2","1","","Uchida, Junji; Nakamura, Takashi; Yamamura, Masaki; Yamaguchi, Gento; Nabeshima, Tatsuya","m-Phenylene-Linked Dipyrrins and Their Boron-Difluoride Complexes as Variously Shaped Macrocyclic Oligomers.","Organic letters","2016","18","20","5380","5383","10.1021/acs.orglett.6b02761","","","0.71073","MoKα","","0.1341","0.0771","","","0.1755","0.1928","","","","","","1.003","","","","has coordinates","239188","2020-10-21","18:00:00",""
"1555864","14.2376","0.0006","19.4354","0.0008","29.2846","0.0012","90","","97.352","0.002","90","","8036.8","0.6","120","2","120","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C84 H77 B3 Cl6 F6 N8 O3 -","- C84 H77 B3 Cl6 F6 N8 O3 -","- C336 H308 B12 Cl24 F24 N32 O12 -","4","1","","Uchida, Junji; Nakamura, Takashi; Yamamura, Masaki; Yamaguchi, Gento; Nabeshima, Tatsuya","m-Phenylene-Linked Dipyrrins and Their Boron-Difluoride Complexes as Variously Shaped Macrocyclic Oligomers.","Organic letters","2016","18","20","5380","5383","10.1021/acs.orglett.6b02761","","","0.71073","MoKα","","0.174","0.128","","","0.3554","0.3736","","","","","","2.408","","","","has coordinates","239189","2020-10-21","18:00:00",""
"1555865","22.2417","0.0015","22.2417","0.0015","12.1892","0.001","90","","90","","90","","6029.9","0.8","120","2","120","2","","","","","","","","6","I -4","I -4","82","","","","- C104 H92 B4 F8 N8 O4 -","- C104 H92 B4 F8 N8 O4 -","- C208 H184 B8 F16 N16 O8 -","2","0.25","","Uchida, Junji; Nakamura, Takashi; Yamamura, Masaki; Yamaguchi, Gento; Nabeshima, Tatsuya","m-Phenylene-Linked Dipyrrins and Their Boron-Difluoride Complexes as Variously Shaped Macrocyclic Oligomers.","Organic letters","2016","18","20","5380","5383","10.1021/acs.orglett.6b02761","","","0.71073","MoKα","","0.0496","0.0472","","","0.1012","0.1024","","","","","","1.108","","","","has coordinates","239190","2020-10-21","18:00:00",""
"1555866","20.228","0.002","10.5483","0.001","18.6443","0.0017","90","","92.898","0.002","90","","3973.1","0.7","120","2","120","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C52 H48 N4 O2 -","- C52 H48 N4 O2 -","- C208 H192 N16 O8 -","4","0.5","","Uchida, Junji; Nakamura, Takashi; Yamamura, Masaki; Yamaguchi, Gento; Nabeshima, Tatsuya","m-Phenylene-Linked Dipyrrins and Their Boron-Difluoride Complexes as Variously Shaped Macrocyclic Oligomers.","Organic letters","2016","18","20","5380","5383","10.1021/acs.orglett.6b02761","","","0.71073","MoKα","","0.0493","0.0448","","","0.1273","0.1319","","","","","","1.054","","","","has coordinates","239191","2020-10-21","18:00:00",""
"1555867","8.072","0.004","12.922","0.006","15.704","0.007","90","","90","","90","","1638","1.3","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C17 H18 Cl N O2 S -","- C17 H18 Cl N O2 S -","- C68 H72 Cl4 N4 O8 S4 -","4","1","","Song, Guangjun; Zheng, Ziwei; Wang, Yanhui; Yu, Xinhong","Pd-Catalyzed Site-Selective p-Hydroxyphenyloxylation of Benzylic α-C(sp<sup>3</sup>)-H Bonds with 1,4-Benzoquinone.","Organic letters","2016","18","23","6002","6005","10.1021/acs.orglett.6b02782","","","0.71073","MoKα","","0.1663","0.0816","","","0.1546","0.1816","","","","","","0.957","","","","has coordinates","239192","2020-10-21","18:00:00",""
"1555868","20.4233","0.0013","28.5691","0.0018","33.289","0.002","90","","90","","90","","19423","2","173","","173","","","","","","","","","7","C 2 2 21","C 2c 2","20","","","","- C90.5 H69 Br4 Cl5 N4 O8 S4 -","- C90.5 H69 Br4 Cl5 N4 O8 S4 -","- C724 H552 Br32 Cl40 N32 O64 S32 -","8","1","","Arai, Takayoshi; Miyazaki, Tomoya; Ogawa, Hiroki; Masu, Hyuma","PyBidine-Ni(OAc)<sub>2</sub>-Catalyzed Michael/Aldol Reaction of Methyleneindolinones and Thiosalicylaldehydes for Stereochemically Divergent Thiochromanyl-spirooxindoles.","Organic letters","2016","18","22","5824","5827","10.1021/acs.orglett.6b02783","","","0.71073","MoKα","","0.0792","0.0564","","","0.1421","0.1521","","","","","","0.994","","","","has coordinates,has disorder","239193","2020-10-21","18:00:00",""
"1555869","6.01931","0.00018","16.3547","0.0007","19.4786","0.0006","90","","90","","90","","1917.55","0.12","292.3","0.2","292.3","0.2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C22 H21 Cl N O2 -","- C22 H21 Cl N O2 -","- C88 H84 Cl4 N4 O8 -","4","1","","Guo, Jing; Lin, Lili; Liu, Yangbin; Li, Xiangqiang; Liu, Xiaohua; Feng, Xiaoming","Nickel(II)-Catalyzed Enantioselective α-Vinylation of β-Keto Amides/Esters with Hypervalent Iodine Salts.","Organic letters","2016","18","21","5540","5543","10.1021/acs.orglett.6b02785","","x-ray","0.71073","MoKα","","0.0559","0.0475","","","0.1245","0.1335","","","","","","1.054","","","","has coordinates","239194","2020-10-21","18:00:00",""
"1555870","7.0663","0.0004","8.3624","0.0005","8.9048","0.0007","115.442","0.007","109.848","0.006","92.591","0.005","435.48","0.06","293","","293","","","","","","","","","4","P 1","P 1","1","","","","- C20 H21 N O2 -","- C20 H21 N O2 -","- C20 H21 N O2 -","1","1","","Guo, Jing; Lin, Lili; Liu, Yangbin; Li, Xiangqiang; Liu, Xiaohua; Feng, Xiaoming","Nickel(II)-Catalyzed Enantioselective α-Vinylation of β-Keto Amides/Esters with Hypervalent Iodine Salts.","Organic letters","2016","18","21","5540","5543","10.1021/acs.orglett.6b02785","","x-ray","1.54184","CuKα","","0.0673","0.0669","","","0.1472","0.1484","","","","","","1.125","","","","has coordinates","239195","2020-10-21","18:00:00",""
"1555871","16.7926","0.0013","23.6471","0.0019","19.7202","0.0015","90","","91.4006","0.0015","90","","7828.5","1.1","200","2","200","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C142 H123 Cl8 Cu10 I10 N18 O12 -","- C138 H115 Cu10 I10 N18 O12 -","- C276 H230 Cu20 I20 N36 O24 -","2","1","","Dasgupta, Srimoyee; Liu, Jixin; Shoffler, Clarissa A.; Yap, Glenn P. A.; Watson, Mary P.","Enantioselective, Copper-Catalyzed Alkynylation of Ketimines To Deliver Isoquinolines with α-Diaryl Tetrasubstituted Stereocenters.","Organic letters","2016","18","23","6006","6009","10.1021/acs.orglett.6b02787","","","0.71073","MoKα","","0.0965","0.0535","","","0.1197","0.1335","","","","","","0.907","","","","has coordinates","239196","2020-10-21","18:00:00",""
"1555872","8.7464","0.0004","9.4368","0.0004","11.5501","0.0006","90","","93.365","0.002","90","","951.68","0.08","200","2","200","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C25 H19 N O2 -","- C25 H19 N O2 -","- C50 H38 N2 O4 -","2","1","","Dasgupta, Srimoyee; Liu, Jixin; Shoffler, Clarissa A.; Yap, Glenn P. A.; Watson, Mary P.","Enantioselective, Copper-Catalyzed Alkynylation of Ketimines To Deliver Isoquinolines with α-Diaryl Tetrasubstituted Stereocenters.","Organic letters","2016","18","23","6006","6009","10.1021/acs.orglett.6b02787","","","1.54178","CuKα","","0.0458","0.0411","","","0.1157","0.1207","","","","","","1.122","","","","has coordinates","239197","2020-10-21","18:00:00",""
"1555873","12.5479","0.0018","12.643","0.002","13.1867","0.0019","62.564","0.003","77.54","0.003","80.141","0.004","1806.7","0.5","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C44 H76 Cd2 Cl8 N24 O23 -","- C44 H50 Cd2 Cl8 N24 O13 -","- C44 H50 Cd2 Cl8 N24 O13 -","1","0.5","","Shen, Fang-Fang; Chen, Kai; Zhang, Yun-Qian; Zhu, Qian-Jiang; Tao, Zhu; Cong, Hang","Mono- and Dihydroxylated Symmetrical Octamethylcucurbiturils and Allylated Derivatives.","Organic letters","2016","18","21","5544","5547","10.1021/acs.orglett.6b02789","","","0.71073","MoKα","","0.1209","0.0814","","","0.2226","0.243","","","","","","1.075","","","","has coordinates","239198","2020-10-21","18:00:00",""
"1555874","12.4005","0.0017","12.7258","0.0018","34.039","0.005","83.66","0.003","83.95","0.003","82.86","0.004","5274.4","1.3","223","2","223","2","","","","","","","","4","P -1","-P 1","2","","","","- C66 H138 N36 O51 -","- C66 H73 N36 O21 -","- C132 H146 N72 O42 -","2","1","","Shen, Fang-Fang; Chen, Kai; Zhang, Yun-Qian; Zhu, Qian-Jiang; Tao, Zhu; Cong, Hang","Mono- and Dihydroxylated Symmetrical Octamethylcucurbiturils and Allylated Derivatives.","Organic letters","2016","18","21","5544","5547","10.1021/acs.orglett.6b02789","","","0.71073","MoKα","","0.1333","0.0979","","","0.2804","0.3018","","","","","","1.038","","","","has coordinates","239199","2020-10-21","18:00:00",""
"1555875","8.4386","0.0013","10.3727","0.0016","15.076","0.002","104.374","0.003","91.345","0.002","102.817","0.003","1242.1","0.3","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C32 H26 N2 O5 -","- C32 H26 N2 O5 -","- C64 H52 N4 O10 -","2","1","","Dighe, Shashikant U.; Yadav, Veena D.; Mahar, Rohit; Shukla, Sanjeev K.; Batra, Sanjay","Intramolecular C<sub>sp<sup>2</sup></sub>-C<sub>sp<sup>2</sup></sub> Friedel-Crafts Arylation: Substrate- and Condition-Controlled Divergent Synthesis of Fused-β-carbolines.","Organic letters","2016","18","23","6010","6013","10.1021/acs.orglett.6b02794","","","0.71073","MoKα","","0.118","0.0721","","","0.1747","0.2486","","","","","","1.081","","","","has coordinates","239200","2020-10-21","18:00:00",""
"1555876","14.8765","0.0006","9.6372","0.0004","24.3534","0.0009","90","","90","","90","","3491.5","0.2","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","SJY-005","","","- C19 H17 Br O2 S -","- C19 H17 Br O2 S -","- C152 H136 Br8 O16 S8 -","8","1","","Son, Jeong-Yu; Kim, Jonghye; Han, Sang Hoon; Kim, Sung Hong; Lee, Phil Ho","Regioselective Synthesis of Dihydrothiophenes and Thiophenes via the Rhodium-Catalyzed Transannulation of 1,2,3-Thiadiazoles with Alkenes.","Organic letters","2016","18","20","5408","5411","10.1021/acs.orglett.6b02805","","","0.71073","","","0.0998","0.059","","","0.116","0.1343","","","","","","1.08","","","","has coordinates","239201","2020-10-21","18:00:00",""
"1555877","9.7687","0.0003","18.1178","0.0006","16.7748","0.0005","90","","103.668","0.0015","90","","2884.85","0.16","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","SJY-007","","","- C32 H20 O4 S2 -","- C32 H20 O4 S2 -","- C128 H80 O16 S8 -","4","1","","Son, Jeong-Yu; Kim, Jonghye; Han, Sang Hoon; Kim, Sung Hong; Lee, Phil Ho","Regioselective Synthesis of Dihydrothiophenes and Thiophenes via the Rhodium-Catalyzed Transannulation of 1,2,3-Thiadiazoles with Alkenes.","Organic letters","2016","18","20","5408","5411","10.1021/acs.orglett.6b02805","","","0.71073","","","0.1696","0.1293","","","0.3203","0.3624","","","","","","1.23","","","","has coordinates","239202","2020-10-21","18:00:00",""
"1555878","10.1244","0.0004","18.7208","0.0008","9.5787","0.0004","90","","91.3035","0.0018","90","","1815.05","0.13","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","SJY-006","","","- C17 H24 O2 S Si -","- C17 H24 O2 S Si -","- C68 H96 O8 S4 Si4 -","4","1","","Son, Jeong-Yu; Kim, Jonghye; Han, Sang Hoon; Kim, Sung Hong; Lee, Phil Ho","Regioselective Synthesis of Dihydrothiophenes and Thiophenes via the Rhodium-Catalyzed Transannulation of 1,2,3-Thiadiazoles with Alkenes.","Organic letters","2016","18","20","5408","5411","10.1021/acs.orglett.6b02805","","","0.71073","","","0.0692","0.0662","","","0.1396","0.1413","","","","","","1.089","","","","has coordinates","239203","2020-10-21","18:00:00",""
"1555879","6.38","0.0011","11.8204","0.0017","13.095","0.002","96.666","0.013","95.878","0.014","102.772","0.013","948.2","0.3","300.79","0.1","300.79","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C25 H19 N O2 -","- C25 H19 N O2 -","- C50 H38 N2 O4 -","2","1","","Chen, Zi-Sheng; Yang, Fang; Ling, Huibo; Li, Mengxue; Gao, Jin-Ming; Ji, Kegong","Metal-Free, Site-Selective Addition to Ynones: An Approach to Synthesize Substituted Quinoline Derivatives.","Organic letters","2016","18","22","5828","5831","10.1021/acs.orglett.6b02813","","x-ray","1.54184","CuKα","","0.0574","0.0448","","","0.1282","0.1366","","","","","","1.084","","","","has coordinates","239204","2020-10-21","18:00:00",""
"1555880","9.247","0.006","10.736","0.004","12.601","0.005","74.29","0.03","78.02","0.04","74.27","0.04","1146.9","1","294.6","0.6","294.6","0.6","","","","","","","","4","P -1","-P 1","2","","","","- C31 H21 N O2 -","- C31 H21 N O2 -","- C62 H42 N2 O4 -","2","1","","Chen, Zi-Sheng; Yang, Fang; Ling, Huibo; Li, Mengxue; Gao, Jin-Ming; Ji, Kegong","Metal-Free, Site-Selective Addition to Ynones: An Approach to Synthesize Substituted Quinoline Derivatives.","Organic letters","2016","18","22","5828","5831","10.1021/acs.orglett.6b02813","","x-ray","0.71073","MoKα","","0.3872","0.0953","","","0.1803","0.3364","","","","","","0.879","","","","has coordinates","239205","2020-10-21","18:00:00",""
"1555881","8.303","0.0003","17.7016","0.0006","17.5144","0.0005","90","","99.293","0.001","90","","2540.42","0.15","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C28 H30 Br N O5 -","- C28 H30 Br N O5 -","- C112 H120 Br4 N4 O20 -","4","1","","Das, Saikat; Daniliuc, Constantin G.; Studer, Armido","Multicomponent 1,3-Bifunctionalization of Donor-Acceptor Cyclopropanes with Arenes and Nitrosoarenes.","Organic letters","2016","18","21","5576","5579","10.1021/acs.orglett.6b02815","","","0.71073","MoKα","","0.0431","0.031","","","0.0644","0.0687","","","","","","1.051","","","","has coordinates,has disorder","239206","2020-10-21","18:00:00",""
"1555882","8.5631","0.00008","11.52249","0.00011","13.97167","0.00011","90","","90","","90","","1378.56","0.02","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C15 H15 N O4 -","- C15 H15 N O4 -","- C60 H60 N4 O16 -","4","1","","Cao, Yang; Zhang, Xiang; Lin, Guangyu; Zhang-Negrerie, Daisy; Du, Yunfei","Chiral Aryliodine-Mediated Enantioselective Organocatalytic Spirocyclization: Synthesis of Spirofurooxindoles via Cascade Oxidative C-O and C-C Bond Formation.","Organic letters","2016","18","21","5580","5583","10.1021/acs.orglett.6b02816","","","1.54184","CuKα","","0.0298","0.0293","","","0.0834","0.0839","","","","","","1.027","","","","has coordinates","239207","2020-10-21","18:00:00",""
"1555883","9.625","0.003","16.95","0.005","8.295","0.003","90","","114.355","0.006","90","","1232.8","0.7","113","2","113","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H13 N O4 -","- C14 H13 N O4 -","- C56 H52 N4 O16 -","4","1","","Cao, Yang; Zhang, Xiang; Lin, Guangyu; Zhang-Negrerie, Daisy; Du, Yunfei","Chiral Aryliodine-Mediated Enantioselective Organocatalytic Spirocyclization: Synthesis of Spirofurooxindoles via Cascade Oxidative C-O and C-C Bond Formation.","Organic letters","2016","18","21","5580","5583","10.1021/acs.orglett.6b02816","","","0.71073","MoKα","","0.0757","0.0631","","","0.253","0.2627","","","","","","1.05","","","","has coordinates","239208","2020-10-21","18:00:00",""
"1555884","6.9549","0.0001","10.5071","0.0002","12.9403","0.0002","90","","90","","90","","945.62","0.03","123","2","123","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C11 H12 O2 -","- C11 H12 O2 -","- C44 H48 O8 -","4","1","","Rastelli, Ettore J.; Truong, Ngoc T.; Coltart, Don M.","Asymmetric Induction in Hydroacylation by Cooperative Iminium Ion-Transition-Metal Catalysis.","Organic letters","2016","18","21","5588","5591","10.1021/acs.orglett.6b02825","","","1.54178","CuKα","","0.0259","0.0256","","","0.0704","0.0711","","","","","","1.058","","","","has coordinates","239209","2020-10-21","18:00:00",""
"1555885","19.301","0.004","5.7434","0.001","12.35","0.003","90","","120.282","0.004","90","","1182.2","0.4","293","2","293","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C11 H13 Br O3 -","- C11 H13 Br O3 -","- C44 H52 Br4 O12 -","4","1","","Hou, Chuan-Jin; Hu, Xiang-Ping","Sterically Hindered Chiral Ferrocenyl P,N,N-Ligands for Highly Diastereo-/Enantioselective Ir-Catalyzed Hydrogenation of α-Alkyl-β-ketoesters via Dynamic Kinetic Resolution.","Organic letters","2016","18","21","5592","5595","10.1021/acs.orglett.6b02828","","","0.71073","MoKα","","0.0481","0.0343","","","0.083","0.0886","","","","","","1.059","","","","has coordinates","239210","2020-10-21","18:00:00",""
"1555886","10.7641","0.0008","11.7191","0.0008","11.5933","0.0008","90","","95.782","0.001","90","","1455","0.18","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C36 H34 Fe N2 P -","- C36 H34 Fe N2 P -","- C72 H68 Fe2 N4 P2 -","2","1","","Hou, Chuan-Jin; Hu, Xiang-Ping","Sterically Hindered Chiral Ferrocenyl P,N,N-Ligands for Highly Diastereo-/Enantioselective Ir-Catalyzed Hydrogenation of α-Alkyl-β-ketoesters via Dynamic Kinetic Resolution.","Organic letters","2016","18","21","5592","5595","10.1021/acs.orglett.6b02828","","","0.71073","MoKα","","0.032","0.0307","","","0.0709","0.0716","","","","","","0.999","","","","has coordinates,has disorder","239211","2020-10-21","18:00:00",""
"1555887","13.6186","0.0006","6.4135","0.0003","17.071","0.0009","90","","97.35","0.003","90","","1478.78","0.12","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C19 H24 N2 -","- C19 H24 N2 -","- C76 H96 N8 -","4","1","","Koovits, Paul J.; Knowles, Jonathan P.; Booker-Milburn, Kevin I","Conformationally Driven Two- and Three-Photon Cascade Processes in the Stereoselective Photorearrangement of Pyrroles.","Organic letters","2016","18","21","5608","5611","10.1021/acs.orglett.6b02829","","","0.71073","MoKα","","0.1016","0.0554","","","0.1168","0.1381","","","","","","1.023","","","","has coordinates","239212","2020-10-21","18:00:00",""
"1555888","8.0081","0.0003","10.4609","0.0003","11.1597","0.0004","78.2095","0.0019","78.146","0.002","81.6257","0.0019","890.37","0.05","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C10 H13 N O2 -","- C10 H13 N O2 -","- C40 H52 N4 O8 -","4","2","","Koovits, Paul J.; Knowles, Jonathan P.; Booker-Milburn, Kevin I","Conformationally Driven Two- and Three-Photon Cascade Processes in the Stereoselective Photorearrangement of Pyrroles.","Organic letters","2016","18","21","5608","5611","10.1021/acs.orglett.6b02829","","","0.71073","MoKα","","0.0455","0.0372","","","0.0904","0.0952","","","","","","1.032","","","","has coordinates","239213","2020-10-21","18:00:00",""
"1555889","15.9124","0.0004","10.2339","0.0003","19.2806","0.0005","90","","108.253","0.001","90","","2981.78","0.14","200","2","200","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C39 H36 O3 -","- C39 H36 O3 -","- C156 H144 O12 -","4","1","","Ye, Fei; Haddad, Mansour; Michelet, Véronique; Ratovelomanana-Vidal, Virginie","Access toward Fluorenone Derivatives through Solvent-Free Ruthenium Trichloride Mediated [2 + 2 + 2] Cycloadditions.","Organic letters","2016","18","21","5612","5615","10.1021/acs.orglett.6b02840","","","0.71073","MoKα","","0.0803","0.0468","","","0.1128","0.1293","","","","","","1.024","","","","has coordinates,has disorder","239214","2020-10-21","18:00:00",""
"1555890","8.0461","0.0016","17.462","0.003","10.6706","0.0019","90","","96.238","0.012","90","","1490.4","0.5","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H14 F3 N O2 -","- C16 H14 F3 N O2 -","- C64 H56 F12 N4 O8 -","4","1","","Bhojgude, Sachin Suresh; Roy, Tony; Gonnade, Rajesh G.; Biju, Akkattu T.","Substrate-Controlled Selectivity Switch in the Three-Component Coupling Involving Arynes, Aromatic Tertiary Amines, and CO<sub>2</sub>.","Organic letters","2016","18","20","5424","5427","10.1021/acs.orglett.6b02845","","","0.71073","MoKα","","0.0984","0.0716","","","0.1507","0.1678","","","","","","1.091","","","","has coordinates,has disorder","239215","2020-10-21","18:00:00",""
"1555891","16.799","0.002","16.6108","0.0017","19.616","0.003","90","","108.792","0.006","90","","5182","1.2","173","","173","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C30 H30 N P S -","- C30 H30 N P S -","- C240 H240 N8 P8 S8 -","8","2","","Unoh, Yuto; Yokoyama, Yuki; Satoh, Tetsuya; Hirano, Koji; Miura, Masahiro","Regioselective Synthesis of Benzo[b]phosphole Derivatives via Direct ortho-Alkenylation and Cyclization of Arylthiophosphinamides.","Organic letters","2016","18","20","5436","5439","10.1021/acs.orglett.6b02868","","","0.71075","MoKα","","0.1228","0.072","","","0.1211","0.1414","","","","","","1.096","","","","has coordinates","239216","2020-10-21","18:00:00",""
"1555892","19.87","0.03","16.3","0.02","8.985","0.012","90","","90","","90","","2910","7","173","","173","","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C31 H31 F3 N O3 P S2 -","- C31 H31 F3 N O3 P S2 -","- C124 H124 F12 N4 O12 P4 S8 -","4","1","","Unoh, Yuto; Yokoyama, Yuki; Satoh, Tetsuya; Hirano, Koji; Miura, Masahiro","Regioselective Synthesis of Benzo[b]phosphole Derivatives via Direct ortho-Alkenylation and Cyclization of Arylthiophosphinamides.","Organic letters","2016","18","20","5436","5439","10.1021/acs.orglett.6b02868","","","0.71075","MoKα","","0.1886","0.1115","","","0.2346","0.2773","","","","","","1.103","","","","has coordinates","239217","2020-10-21","18:00:00",""
"1555893","18.249","0.004","7.4323","0.0015","22.242","0.004","90","","90","","90","","3016.7","1","173","2","173","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C20 H17 Fe N -","- C20 H17 Fe N -","- C160 H136 Fe8 N8 -","8","1","","Zhou, Shuguang; Wang, Mingyang; Wang, Lili; Chen, Kehao; Wang, Jinhu; Song, Chao; Zhu, Jin","Bidentate Directing-Enabled, Traceless Heterocycle Synthesis: Cobalt-Catalyzed Access to Isoquinolines.","Organic letters","2016","18","21","5632","5635","10.1021/acs.orglett.6b02870","","","1.54178","CuKα","","0.0432","0.0386","","","0.1069","0.1118","","","","","","1.067","","","","has coordinates","239218","2020-10-21","18:00:00",""
"1555894","9.0735","0.0017","11.257","0.0019","11.893","0.002","91.917","0.005","90.265","0.005","99.335","0.005","1197.9","0.4","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C29 H25 F N2 O2 -","- C29 H25 F N2 O2 -","- C58 H50 F2 N4 O4 -","2","1","","Song, Zhidong; Huang, Xin; Yi, Wenbin; Zhang, Wei","One-Pot Reactions for Modular Synthesis of Polysubstituted and Fused Pyridines.","Organic letters","2016","18","21","5640","5643","10.1021/acs.orglett.6b02883","","","0.71073","MoKα","","0.0586","0.0436","","","0.1022","0.1098","","","","","","1.041","","","","has coordinates","239219","2020-10-21","18:00:00",""
"1555895","6.4113","0.0002","10.0776","0.0003","20.2079","0.0007","90","","90","","90","","1305.64","0.07","250","1","250","1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H12 O3 S -","- C16 H12 O3 S -","- C64 H48 O12 S4 -","4","1","","Vila, Carlos; Quintero, Lucia; Blay, Gonzalo; Muñoz, M Carmen; Pedro, José R","Organocatalytic Enantioselective Synthesis of α-Hydroxyketones through a Friedel-Crafts Reaction of Naphthols and Activated Phenols with Aryl- and Alkylglyoxal Hydrates.","Organic letters","2016","18","21","5652","5655","10.1021/acs.orglett.6b02893","","","0.71073","MoKα","","0.0447","0.0356","","","0.0885","0.0967","","","","","","0.92","","","","has coordinates","239220","2020-10-21","18:00:00",""
"1555896","15.954","0.003","16.992","0.002","17.29","0.004","107.17","0.01","114.97","0.01","94.23","0.01","3951.8","1.4","200","2","200","2","","","","","","","","6","P -1","-P 1","2","","","","- C145 H144 N4 O5 Pt2 S32 -","- C145 H144 N4 O5 Pt2 S32 -","- C145 H144 N4 O5 Pt2 S32 -","1","0.5","","Bastien, Guillaume; Dron, Paul I.; Vincent, Manon; Canevet, David; Allain, Magali; Goeb, Sébastien; Sallé, Marc","C<sub>60</sub> Recognition from Extended Tetrathiafulvalene Bis-acetylide Platinum(II) Complexes.","Organic letters","2016","18","22","5856","5859","10.1021/acs.orglett.6b02915","","x-ray","0.71073","MoKα","","0.1569","0.067","","","0.128","0.176","","","","","","1.123","","","","has coordinates","239221","2020-10-21","18:00:00",""
"1555897","8.4273","0.0008","9.8386","0.0009","22.562","0.002","90","","90","","90","","1870.7","0.3","213","","213","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C24 H17 F2 N O -","- C24 H17 F2 N O -","- C96 H68 F8 N4 O4 -","4","1","","Fujino, Takumi; Hinoue, Tomoaki; Usuki, Yoshinosuke; Satoh, Tetsuya","Synthesis of Difluorinated Enynes through Sonogashira-Type Coupling.","Organic letters","2016","18","21","5688","5691","10.1021/acs.orglett.6b02919","","","0.71075","MoKα","","0.0446","0.0391","","","0.1056","0.1098","","","","","","1.075","","","","has coordinates","239222","2020-10-21","18:00:00",""
"1555898","8.5766","0.0009","19.0076","0.0018","7.8189","0.0009","90","","92.3","0.005","90","","1273.6","0.2","213","","213","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C18 H10 F2 -","- C18 H10 F2 -","- C72 H40 F8 -","4","1","","Fujino, Takumi; Hinoue, Tomoaki; Usuki, Yoshinosuke; Satoh, Tetsuya","Synthesis of Difluorinated Enynes through Sonogashira-Type Coupling.","Organic letters","2016","18","21","5688","5691","10.1021/acs.orglett.6b02919","","","0.71075","MoKα","","","0.0445","","","","0.1283","","","","","","1.045","","","","has coordinates","239223","2020-10-21","18:00:00",""
"1555899","9.995","0.003","15.594","0.005","17.952","0.006","76.027","0.007","81.673","0.006","77.58","0.006","2638.9","1.5","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C29 H21 N O3 S2 -","- C29 H21 N O3 S2 -","- C116 H84 N4 O12 S8 -","4","2","","Dong, Yu-Ting; Jin, Quan; Zhou, Ling; Chen, Jie","N-Heterocyclic Carbene Catalyzed Sulfenylation of α,β-Unsaturated Aldehydes.","Organic letters","2016","18","21","5708","5711","10.1021/acs.orglett.6b02939","","","0.71073","MoKα","","0.1161","0.0622","","","0.143","0.1679","","","","","","1.071","","","","has coordinates","239224","2020-10-21","18:00:00",""
"1555900","12.31","0.004","14.356","0.006","18.752","0.008","82.396","0.012","76.856","0.013","70.392","0.012","3034","2","120","","120","","","","","","","","","3","P -1","-P 1","2","","","","- C63 H43 S16 -","- C63 H43 S16 -","- C126 H86 S32 -","2","1","","Ogi, Daisuke; Fujita, Yusuke; Mori, Shigeki; Shirahata, Takashi; Misaki, Yohji","Bis- and Tris-fused Tetrathiafulvalenes Extended with Anthracene-9,10-diylidene.","Organic letters","2016","18","22","5868","5871","10.1021/acs.orglett.6b02944","","","0.71075","MoKα","","0.1122","0.0848","","","0.1867","0.2049","","","","","","1.134","","","","has coordinates","239226","2020-10-21","18:00:00",""
"1555901","8.9306","0.0005","9.8068","0.0005","14.0936","0.0008","74.745","0.002","85.237","0.002","87.353","0.002","1186.34","0.11","298","","298","","","","","","","","","2","P -1","-P 1","2","","","","- C30 H32 -","- C30 H32 -","- C60 H64 -","2","1","","Kanno, Ken-Ichiro; Igarashi, Eri; Mizukami, Yuki; Nakajima, Kiyohiko; Song, Zhiyi; Takahashi, Tamotsu","Formation of Seven-Membered Carbocycles via 7-endo Mode Cyclization of Lithioheptatrienes.","Organic letters","2016","18","24","6217","6219","10.1021/acs.orglett.6b02956","","","0.71075","MoKα","","0.0713","0.0504","","","0.1173","0.1293","","","","","","1.047","","","","has coordinates","239227","2020-10-21","18:00:00",""
"1555902","6.13","0.0003","9.435","0.0004","17.3238","0.0008","79.085","0.002","82.396","0.002","67.34","0.002","905.93","0.07","298","","298","","","","","","","","","2","P -1","-P 1","2","","","","- C23 H26 -","- C23 H26 -","- C46 H52 -","2","1","","Kanno, Ken-Ichiro; Igarashi, Eri; Mizukami, Yuki; Nakajima, Kiyohiko; Song, Zhiyi; Takahashi, Tamotsu","Formation of Seven-Membered Carbocycles via 7-endo Mode Cyclization of Lithioheptatrienes.","Organic letters","2016","18","24","6217","6219","10.1021/acs.orglett.6b02956","","","0.71075","MoKα","","0.1067","0.0578","","","0.1215","0.1429","","","","","","1.034","","","","has coordinates","239228","2020-10-21","18:00:00",""
"1555903","15.1061","0.0013","6.2721","0.0006","15.7059","0.0014","90","","114.169","0.003","90","","1357.6","0.2","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H13 Br O3 -","- C14 H13 Br O3 -","- C56 H52 Br4 O12 -","4","1","","Chen, Zi-Sheng; Huang, Xiao-Yan; Gao, Jin-Ming; Ji, Kegong","Relay Rh(II)/Pd(0) Dual Catalysis: Selective Construction of Cyclic All-Quaternary Carbon Centers.","Organic letters","2016","18","22","5876","5879","10.1021/acs.orglett.6b02958","","","0.71073","MoKα","","0.1141","0.0534","","","0.0786","0.0854","","","","","","1.047","","","","has coordinates","239229","2020-10-21","18:00:00",""
"1555904","24.915","0.013","10.604","0.005","15.39","0.008","90","","113.315","0.009","90","","3734","3","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C21 H19 N O5 -","- C21 H19 N O5 -","- C168 H152 N8 O40 -","8","1","","Chen, Zi-Sheng; Huang, Xiao-Yan; Gao, Jin-Ming; Ji, Kegong","Relay Rh(II)/Pd(0) Dual Catalysis: Selective Construction of Cyclic All-Quaternary Carbon Centers.","Organic letters","2016","18","22","5876","5879","10.1021/acs.orglett.6b02958","","","0.71073","MoKα","","0.1859","0.1141","","","0.3437","0.3997","","","","","","1.245","","","","has coordinates","239230","2020-10-21","18:00:00",""
"1555905","8.6692","0.0003","9.105","0.0004","15.8619","0.0006","93.843","0.003","91.883","0.003","99.166","0.003","1232.06","0.08","150","","150","","","","","","","","","5","P -1","-P 1","2","","","","- C23 H33 F6 N O4 -","- C23 H33 F6 N O4 -","- C46 H66 F12 N2 O8 -","2","1","","Colomer, Ignacio; Barcelos, Rosimeire Coura; Christensen, Kirsten E.; Donohoe, Timothy J.","Orthogonally Protected 1,2-Diols from Electron-Rich Alkenes Using Metal-Free Olefin syn-Dihydroxylation.","Organic letters","2016","18","22","5880","5883","10.1021/acs.orglett.6b02959","","","1.54184","CuKα","","0.0479","0.0431","","0.1141","0.1098","0.1141","","","","","","0.9853","","","","has coordinates","239231","2020-10-21","18:00:00",""
"1555906","10.7863","0.0002","8.519","0.0002","22.5231","0.0005","90","","94.7132","0.0019","90","","2062.62","0.08","150","","150","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C21 H33 N O4 -","- C21 H33 N O4 -","- C84 H132 N4 O16 -","4","1","","Colomer, Ignacio; Barcelos, Rosimeire Coura; Christensen, Kirsten E.; Donohoe, Timothy J.","Orthogonally Protected 1,2-Diols from Electron-Rich Alkenes Using Metal-Free Olefin syn-Dihydroxylation.","Organic letters","2016","18","22","5880","5883","10.1021/acs.orglett.6b02959","","","1.54184","CuKα","","0.0489","0.0445","","0.1255","0.1186","0.1255","","","","","","0.9989","","","","has coordinates,has disorder","239231","2020-10-21","18:00:00",""
"1555907","11.326","0.002","12.672","0.003","9.2889","0.0019","90","","94.75","0.03","90","","1328.6","0.5","295","2","295","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H13 N3 O -","- C16 H13 N3 O -","- C64 H52 N12 O4 -","4","1","","Wan, Jie-Ping; Cao, Shuo; Liu, Yunyun","Base-Promoted Synthesis of N-Substituted 1,2,3-Triazoles via Enaminone-Azide Cycloaddition Involving Regitz Diazo Transfer.","Organic letters","2016","18","23","6034","6037","10.1021/acs.orglett.6b02975","","","0.71073","MoKα","","0.0471","0.0401","","","0.1221","0.1283","","","","","","1.116","","","","has coordinates","239232","2020-10-21","18:00:00",""
"1555908","7.5678","0.0006","5.1454","0.0004","16.9271","0.0014","90","","98.7561","0.0018","90","","651.45","0.09","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C16 H16 O S -","- C16 H16 O S -","- C32 H32 O2 S2 -","2","1","","Gómez, José Enrique; Guo, Wusheng; Kleij, Arjan W.","Palladium-Catalyzed Stereoselective Formation of Substituted Allylic Thioethers and Sulfones.","Organic letters","2016","18","23","6042","6045","10.1021/acs.orglett.6b02981","","","0.71073","MoKα","","0.039","0.0377","","","0.0992","0.1038","","","","","","1.049","","","","has coordinates","239233","2020-10-21","18:00:00",""
"1555909","7.9679","0.0003","11.4739","0.0005","14.9692","0.0006","90","","93.356","0.001","90","","1366.18","0.1","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C16 H16 O3 S -","- C16 H16 O3 S -","- C64 H64 O12 S4 -","4","1","","Gómez, José Enrique; Guo, Wusheng; Kleij, Arjan W.","Palladium-Catalyzed Stereoselective Formation of Substituted Allylic Thioethers and Sulfones.","Organic letters","2016","18","23","6042","6045","10.1021/acs.orglett.6b02981","","","0.71073","MoKα","","0.0399","0.0349","","","0.0948","0.0983","","","","","","1.044","","","","has coordinates","239234","2020-10-21","18:00:00",""
"1555910","8.3992","0.0017","10.526","0.002","11.746","0.002","68.85","0.03","80.94","0.03","76.25","0.03","937.8","0.4","295","2","295","2","","","","","","","","4","P -1","-P 1","2","","","","- C40 H52 N2 Si2 -","- C40 H52 N2 Si2 -","- C40 H52 N2 Si2 -","1","0.5","","Granger, Devin B.; Mei, Yaochuan; Thorley, Karl J.; Parkin, Sean R.; Jurchescu, Oana D.; Anthony, John E.","Synthesis and Electrical Properties of Derivatives of 1,4-bis(trialkylsilylethynyl)benzo[2,3-b:5,6-b']diindolizines.","Organic letters","2016","18","23","6050","6053","10.1021/acs.orglett.6b02991","","","0.71073","MoKα","","0.1164","0.0818","","","0.196","0.2218","","","","","","1.052","","","","has coordinates,has disorder","239235","2020-10-21","18:00:00",""
"1555911","15.6326","0.0003","6.4203","0.0001","14.8783","0.0003","90","","100.516","0.0011","90","","1468.2","0.05","210","2","210","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C32 H36 N2 Si2 -","- C32 H36 N2 Si2 -","- C64 H72 N4 Si4 -","2","0.5","","Granger, Devin B.; Mei, Yaochuan; Thorley, Karl J.; Parkin, Sean R.; Jurchescu, Oana D.; Anthony, John E.","Synthesis and Electrical Properties of Derivatives of 1,4-bis(trialkylsilylethynyl)benzo[2,3-b:5,6-b']diindolizines.","Organic letters","2016","18","23","6050","6053","10.1021/acs.orglett.6b02991","","","0.71073","MoKα","","0.0809","0.0689","","","0.203","0.2199","","","","","","1.07","","","","has coordinates,has disorder","239236","2020-10-21","18:00:00",""
"1555912","6.5863","0.0002","32.7261","0.0011","7.6981","0.0003","90","","112.553","0.002","90","","1532.39","0.09","90","0.2","90","0.2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C36 H40 N2 Si2 -","- C36 H40 N2 Si2 -","- C72 H80 N4 Si4 -","2","0.5","","Granger, Devin B.; Mei, Yaochuan; Thorley, Karl J.; Parkin, Sean R.; Jurchescu, Oana D.; Anthony, John E.","Synthesis and Electrical Properties of Derivatives of 1,4-bis(trialkylsilylethynyl)benzo[2,3-b:5,6-b']diindolizines.","Organic letters","2016","18","23","6050","6053","10.1021/acs.orglett.6b02991","","","1.54178","CuKα","","0.1094","0.0646","","","0.146","0.1672","","","","","","1.037","","","","has coordinates,has disorder","239237","2020-10-21","18:00:00",""
"1555913","6.5947","0.0008","32.761","0.003","7.661","0.0012","90","","113.1","0.008","90","","1522.4","0.3","240","2","240","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C34 H40 N2 Si2 -","- C34 H40 N2 Si2 -","- C68 H80 N4 Si4 -","2","0.5","","Granger, Devin B.; Mei, Yaochuan; Thorley, Karl J.; Parkin, Sean R.; Jurchescu, Oana D.; Anthony, John E.","Synthesis and Electrical Properties of Derivatives of 1,4-bis(trialkylsilylethynyl)benzo[2,3-b:5,6-b']diindolizines.","Organic letters","2016","18","23","6050","6053","10.1021/acs.orglett.6b02991","","","1.54178","CuKα","","0.1093","0.0848","","","0.2605","0.2861","","","","","","1.272","","","","has coordinates","239238","2020-10-21","18:00:00",""
"1555914","6.0278","0.0012","11.373","0.002","17.547","0.004","78.6","0.03","83.43","0.03","78.73","0.03","1152.9","0.4","150","2","150","2","","","","","","","","3","P -1","-P 1","2","","","","- C30 H28 N2 -","- C30 H28 N2 -","- C60 H56 N4 -","2","1","","Granger, Devin B.; Mei, Yaochuan; Thorley, Karl J.; Parkin, Sean R.; Jurchescu, Oana D.; Anthony, John E.","Synthesis and Electrical Properties of Derivatives of 1,4-bis(trialkylsilylethynyl)benzo[2,3-b:5,6-b']diindolizines.","Organic letters","2016","18","23","6050","6053","10.1021/acs.orglett.6b02991","","","0.71073","MoKα","","0.1006","0.0659","","","0.1589","0.1854","","","","","","1.104","","","","has coordinates","239239","2020-10-21","18:00:00",""
"1555915","6.585","0.0004","7.8652","0.0004","17.0204","0.0009","78.833","0.004","83.504","0.004","66.118","0.004","790.2","0.08","90","0.2","90","0.2","","","","","","","","4","P -1","-P 1","2","","","","- C36 H44 N2 Si2 -","- C36 H44 N2 Si2 -","- C36 H44 N2 Si2 -","1","0.5","","Granger, Devin B.; Mei, Yaochuan; Thorley, Karl J.; Parkin, Sean R.; Jurchescu, Oana D.; Anthony, John E.","Synthesis and Electrical Properties of Derivatives of 1,4-bis(trialkylsilylethynyl)benzo[2,3-b:5,6-b']diindolizines.","Organic letters","2016","18","23","6050","6053","10.1021/acs.orglett.6b02991","","","1.54178","CuKα","","0.0771","0.0678","","","0.1791","0.1869","","","","","","1.08","","","","has coordinates,has disorder","239240","2020-10-21","18:00:00",""
"1555916","6.247","0.0001","22.6384","0.0004","8.7822","0.0002","90","","100.885","0.001","90","","1219.65","0.04","90","0.2","90","0.2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C28 H28 N2 Si2 -","- C28 H28 N2 Si2 -","- C56 H56 N4 Si4 -","2","0.5","","Granger, Devin B.; Mei, Yaochuan; Thorley, Karl J.; Parkin, Sean R.; Jurchescu, Oana D.; Anthony, John E.","Synthesis and Electrical Properties of Derivatives of 1,4-bis(trialkylsilylethynyl)benzo[2,3-b:5,6-b']diindolizines.","Organic letters","2016","18","23","6050","6053","10.1021/acs.orglett.6b02991","","","1.54178","CuKα","","0.0376","0.0367","","","0.0943","0.0951","","","","","","1.046","","","","has coordinates","239241","2020-10-21","18:00:00",""
"1555917","8.7863","0.0004","19.6959","0.0008","19.81","0.0007","90","","90","","90","","3428.2","0.2","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C19 H26 N2 O -","- C19 H26 N2 O -","- C152 H208 N16 O8 -","8","1","","Peng, Jianwen; Gao, Yang; Hu, Weigao; Gao, Yinglan; Hu, Miao; Wu, Wanqing; Ren, Yanwei; Jiang, Huanfeng","Palladium-Catalyzed Multicomponent Reaction (MCR) of Propargylic Carbonates with Isocyanides.","Organic letters","2016","18","22","5924","5927","10.1021/acs.orglett.6b02999","","","1.54178","CuKα","","0.0614","0.0507","","","0.1404","0.1619","","","","","","1.091","","","","has coordinates","239242","2020-10-21","18:00:00",""
"1555918","7.0557","0.0001","18.3411","0.0003","18.3448","0.0003","90","","93.837","0.001","90","","2368.67","0.06","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H34 Br N3 O -","- C24 H34 Br N3 O -","- C96 H136 Br4 N12 O4 -","4","1","","Peng, Jianwen; Gao, Yang; Hu, Weigao; Gao, Yinglan; Hu, Miao; Wu, Wanqing; Ren, Yanwei; Jiang, Huanfeng","Palladium-Catalyzed Multicomponent Reaction (MCR) of Propargylic Carbonates with Isocyanides.","Organic letters","2016","18","22","5924","5927","10.1021/acs.orglett.6b02999","","","1.54178","CuKα","","0.0407","0.0329","","","0.0814","0.0873","","","","","","1.026","","","","has coordinates","239243","2020-10-21","18:00:00",""
"1555919","6.1726","0.0013","6.1726","0.0013","54.71","0.03","90","","90","","120","","1805.2","1.1","292.84","0.1","292.84","0.1","","","","","","","","4","P 65","P 65","170","","","","- C15 H12 N2 O -","- C15 H12 N2 O -","- C90 H72 N12 O6 -","6","1","","Yuan, Bingxiang; Zhang, Fuming; Li, Zhuomei; Yang, Shenghua; Yan, Rulong","AgNO<sub>2</sub> as the NO Source for the Synthesis of Substituted Pyrazole N-Oxides from N-Propargylamines.","Organic letters","2016","18","22","5928","5931","10.1021/acs.orglett.6b03021","","x-ray","0.71","MoKα","","0.1409","0.1199","","","0.2033","0.2131","","","","","","1.106","","","","has coordinates","239244","2020-10-21","18:00:00",""
"1555920","6.1726","0.0013","6.1726","0.0013","54.71","0.03","90","","90","","120","","1805.2","1.1","293","2","293","2","","","","","","","","4","P 65","P 65","170","","","","- C15 H12 N2 O -","- C15 H12 N2 O -","- C90 H72 N12 O6 -","6","1","","Yuan, Bingxiang; Zhang, Fuming; Li, Zhuomei; Yang, Shenghua; Yan, Rulong","AgNO<sub>2</sub> as the NO Source for the Synthesis of Substituted Pyrazole N-Oxides from N-Propargylamines.","Organic letters","2016","18","22","5928","5931","10.1021/acs.orglett.6b03021","","","0.71","MoKα","","0.1409","0.1199","","","0.2033","0.2131","","","","","","1.106","","","","has coordinates","239245","2020-10-21","18:00:00",""
"1555921","8.652","0.0007","9.9706","0.0008","14.1796","0.0012","78.8291","0.0017","89.706","0.0018","78.2333","0.0017","1174.07","0.17","120","2","120","2","","","","","","","","3","P -1","-P 1","2","","","","- C29 H28 O6 -","- C29 H28 O6 -","- C58 H56 O12 -","2","1","","Shirinian, Valerii Z.; Lvov, Andrey G.; Yadykov, Anton V.; Yaminova, Liana V.; Kachala, Vadim V.; Markosyan, Ashot I.","Triaryl-Substituted Divinyl Ketones Cyclization: Nazarov Reaction versus Friedel-Crafts Electrophilic Substitution.","Organic letters","2016","18","24","6260","6263","10.1021/acs.orglett.6b03023","","","0.71073","MoKα","","0.0528","0.0413","","","0.1056","0.1138","","","","","","1.029","","","","has coordinates","239246","2020-10-21","18:00:00",""
"1555922","5.7737","0.0006","7.9024","0.0007","11.5568","0.0009","90","","100.734","0.006","90","","518.07","0.08","123","2","123","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C10 H17 N O3 -","- C10 H17 N O3 -","- C20 H34 N2 O6 -","2","1","","Choi, Chulho; Nuhant, Philippe; Mousseau, James J.; Yang, Xiaojing; Gerstenberger, Brian S.; Williams, Jessica M.; Wright, Stephen W.","Synthesis of Chiral Azabicycles from Pyroglutaminols.","Organic letters","2016","18","21","5748","5751","10.1021/acs.orglett.6b03024","","","1.54178","CuKα","","0.0362","0.033","","","0.0813","0.0826","","","","","","1.272","","","","has coordinates","239247","2020-10-21","18:00:00",""
"1555923","6.9214","0.0005","6.4235","0.0005","11.479","0.0008","90","","105.437","0.005","90","","491.94","0.06","123","2","123","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C11 H12 N2 O2 -","- C11 H12 N2 O2 -","- C22 H24 N4 O4 -","2","1","","Choi, Chulho; Nuhant, Philippe; Mousseau, James J.; Yang, Xiaojing; Gerstenberger, Brian S.; Williams, Jessica M.; Wright, Stephen W.","Synthesis of Chiral Azabicycles from Pyroglutaminols.","Organic letters","2016","18","21","5748","5751","10.1021/acs.orglett.6b03024","","","1.54178","CuKα","","0.0427","0.0369","","","0.0858","0.0889","","","","","","1.051","","","","has coordinates","239248","2020-10-21","18:00:00",""
"1555924","5.8422","0.0005","10.2343","0.0009","19.63","0.0017","90","","90","","90","","1173.69","0.18","298","2","298","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C13 H15 N O2 -","- C13 H15 N O2 -","- C52 H60 N4 O8 -","4","1","","Choi, Chulho; Nuhant, Philippe; Mousseau, James J.; Yang, Xiaojing; Gerstenberger, Brian S.; Williams, Jessica M.; Wright, Stephen W.","Synthesis of Chiral Azabicycles from Pyroglutaminols.","Organic letters","2016","18","21","5748","5751","10.1021/acs.orglett.6b03024","","","1.54178","CuKα","","0.031","0.0297","","","0.085","0.0863","","","","","","1.032","","","","has coordinates","239249","2020-10-21","18:00:00",""
"1555925","11.104","0.004","9.075","0.003","27.414","0.01","90","","91.04","0.006","90","","2762","1.7","293","2","293","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C27 H20 F O P -","- C27 H20 F O P -","- C108 H80 F4 O4 P4 -","4","1","","Hu, Gaobo; Shan, Changkai; Chen, Weizhu; Xu, Pengxiang; Gao, Yuxing; Zhao, Yufen","Copper-Catalyzed Direct Coupling of Unprotected Propargylic Alcohols with P(O)H Compounds: Access to Allenylphosphoryl Compounds under Ligand- and Base-Free Conditions.","Organic letters","2016","18","23","6066","6069","10.1021/acs.orglett.6b03028","","","0.71","MoKα","","0.0985","0.0784","","","0.1998","0.2094","","","","","","1.047","","","","has coordinates","239250","2020-10-21","18:00:00",""
"1555926","13.1754","0.0003","12.8893","0.0003","9.6352","0.0002","90","","97.16","0.002","90","","1623.51","0.06","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H17 N O3 S -","- C18 H17 N O3 S -","- C72 H68 N4 O12 S4 -","4","1","","Siva Kumari, A. Leela; Siva Reddy, Alla; Swamy, K. C. Kumara","Transition Metal-Free Cascade Cyclization of Epoxy-Ynamides: To Go for 1,3-Oxazines or 1,4-Oxazines?","Organic letters","2016","18","21","5752","5755","10.1021/acs.orglett.6b03047","","","1.54184","CuKα","","0.0548","0.0453","","","0.1321","0.1408","","","","","","1.081","","","","has coordinates","239251","2020-10-21","18:00:00",""
"1555927","19.1531","0.0008","7.3529","0.0003","13.812","0.0006","90","","108.013","0.002","90","","1849.82","0.14","300","2","300","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H19 N O3 S -","- C22 H19 N O3 S -","- C88 H76 N4 O12 S4 -","4","1","","Siva Kumari, A. Leela; Siva Reddy, Alla; Swamy, K. C. Kumara","Transition Metal-Free Cascade Cyclization of Epoxy-Ynamides: To Go for 1,3-Oxazines or 1,4-Oxazines?","Organic letters","2016","18","21","5752","5755","10.1021/acs.orglett.6b03047","","","0.71073","MoKα","","0.0402","0.0345","","","0.0915","0.0959","","","","","","1.048","","","","has coordinates","239251","2020-10-21","18:00:00",""
"1555928","5.8986","0.0003","26.6087","0.0015","16.7845","0.0011","90","","96.428","0.002","90","","2617.8","0.3","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H33 N4 O3 S -","- C26 H33 N4 O3 S -","- C104 H132 N16 O12 S4 -","4","1","","Siva Kumari, A. Leela; Siva Reddy, Alla; Swamy, K. C. Kumara","Transition Metal-Free Cascade Cyclization of Epoxy-Ynamides: To Go for 1,3-Oxazines or 1,4-Oxazines?","Organic letters","2016","18","21","5752","5755","10.1021/acs.orglett.6b03047","","","0.71073","MoKα","","0.1311","0.0808","","","0.1959","0.223","","","","","","1.029","","","","has coordinates","239251","2020-10-21","18:00:00",""
"1555929","8.75","0.0007","15.7853","0.0017","24.961","0.002","90","","90","","90","","3447.6","0.5","293","2","293","2","","","","","","","","5","P c a b","-P 2bc 2ac","61","","","","- C17 H16 N4 O3 S -","- C17 H16 N4 O3 S -","- C136 H128 N32 O24 S8 -","8","1","","Siva Kumari, A. Leela; Siva Reddy, Alla; Swamy, K. C. Kumara","Transition Metal-Free Cascade Cyclization of Epoxy-Ynamides: To Go for 1,3-Oxazines or 1,4-Oxazines?","Organic letters","2016","18","21","5752","5755","10.1021/acs.orglett.6b03047","","","0.71073","MoKα","","0.1546","0.0772","","","0.1831","0.2145","","","","","","1.035","","","","has coordinates","239251","2020-10-21","18:00:00",""
"1555930","8.3734","0.001","25.188","0.003","11.2668","0.0013","90","","98.394","0.002","90","","2350.8","0.5","273","2","273","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H24 N4 O3 S -","- C26 H24 N4 O3 S -","- C104 H96 N16 O12 S4 -","4","1","","Siva Kumari, A. Leela; Siva Reddy, Alla; Swamy, K. C. Kumara","Transition Metal-Free Cascade Cyclization of Epoxy-Ynamides: To Go for 1,3-Oxazines or 1,4-Oxazines?","Organic letters","2016","18","21","5752","5755","10.1021/acs.orglett.6b03047","","","0.71073","MoKα","","0.0761","0.0577","","","0.1346","0.1478","","","","","","1.047","","","","has coordinates","239251","2020-10-21","18:00:00",""
"1555931","9.0147","0.0004","9.2814","0.0004","10.9521","0.0005","69.621","0.003","79.392","0.003","70.853","0.003","808.95","0.07","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C19 H19 N O4 -","- C19 H19 N O4 -","- C38 H38 N2 O8 -","2","1","","Reddy, B. Narendraprasad; Ramana, Chepuri V.","Synthesis of Functionalized 6-Hydroxy-2-oxindole Derivatives by Phenoxide Cyclization.","Organic letters","2016","18","24","6264","6267","10.1021/acs.orglett.6b03048","","","0.71073","MoKα","","0.0992","0.0694","","","0.1365","0.1514","","","","","","1.067","","","","has coordinates","239252","2020-10-21","18:00:00",""
"1555932","6.8886","0.0006","12.9983","0.0012","14.7636","0.0014","90","","94.523","0.001","90","","1317.8","0.2","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H15 N O4 -","- C15 H15 N O4 -","- C60 H60 N4 O16 -","4","1","","Reddy, B. Narendraprasad; Ramana, Chepuri V.","Synthesis of Functionalized 6-Hydroxy-2-oxindole Derivatives by Phenoxide Cyclization.","Organic letters","2016","18","24","6264","6267","10.1021/acs.orglett.6b03048","","","0.71073","MoKα","","0.0412","0.0362","","","0.0831","0.0855","","","","","","1.095","","","","has coordinates","239253","2020-10-21","18:00:00",""
"1555933","9.0841","0.0003","19.3749","0.0007","31.8706","0.0012","90","","95.862","0.002","90","","5580","0.3","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C21 H21 N O5 -","- C21 H21 N O5 -","- C252 H252 N12 O60 -","12","3","","Reddy, B. Narendraprasad; Ramana, Chepuri V.","Synthesis of Functionalized 6-Hydroxy-2-oxindole Derivatives by Phenoxide Cyclization.","Organic letters","2016","18","24","6264","6267","10.1021/acs.orglett.6b03048","","","0.71073","MoKα","","0.1217","0.075","","","0.1359","0.1542","","","","","","1.076","","","","has coordinates","239254","2020-10-21","18:00:00",""
"1555934","7.3578","0.0005","12.184","0.001","13.0111","0.001","86.19","0.002","75.871","0.002","74.332","0.002","1089.1","0.14","299","2","299","2","","","","","","","","4","P -1","-P 1","2","","","","- C24 H21 N O6 -","- C24 H21 N O6 -","- C48 H42 N2 O12 -","2","1","","Gao, Peng; Wang, Juan; Bai, Zi-Jing; Shen, Li; Yan, Yun-Yun; Yang, De-Suo; Fan, Ming-Jin; Guan, Zheng-Hui","Synthesis of Polycarbonyl Pyrroles via K<sub>2</sub>S<sub>2</sub>O<sub>8</sub>-Mediated Oxidative Cyclization of Enamines.","Organic letters","2016","18","23","6074","6077","10.1021/acs.orglett.6b03060","","","0.71073","MoKα","","0.0753","0.056","","","0.1744","0.1936","","","","","","1.145","","","","has coordinates,has disorder","239255","2020-10-21","18:00:00",""
"1555935","13.9835","0.0019","9.8343","0.0013","13.1233","0.0017","90","","100.67","0.002","90","","1773.5","0.4","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H17 N O4 -","- C20 H17 N O4 -","- C80 H68 N4 O16 -","4","1","","Gao, Peng; Wang, Juan; Bai, Zi-Jing; Shen, Li; Yan, Yun-Yun; Yang, De-Suo; Fan, Ming-Jin; Guan, Zheng-Hui","Synthesis of Polycarbonyl Pyrroles via K<sub>2</sub>S<sub>2</sub>O<sub>8</sub>-Mediated Oxidative Cyclization of Enamines.","Organic letters","2016","18","23","6074","6077","10.1021/acs.orglett.6b03060","","","0.71073","MoKα","","0.043","0.0379","","","0.1034","0.1086","","","","","","1.062","","","","has coordinates","239256","2020-10-21","18:00:00",""
"1555936","5.1132","0.0001","29.4098","0.0007","8.8232","0.0002","90","","92.686","0.001","90","","1325.36","0.05","250","2","250","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C27 H35 N3 O6 -","- C27 H35 N3 O6 -","- C54 H70 N6 O12 -","2","1","","Liew, Sean K.; Kaldas, Sherif J.; Yudin, Andrei K.","A Linchpin Synthesis of 6-Hydroxyceramides from Aziridine Aldehydes.","Organic letters","2016","18","24","6268","6271","10.1021/acs.orglett.6b03067","","","1.54178","CuKα","","0.0475","0.0422","","","0.1116","0.116","","","","","","1.057","","","","has coordinates,has disorder","239257","2020-10-21","18:00:00",""
"1555937","8.8021","0.0004","9.9889","0.0005","32.4893","0.0017","90","","90","","90","","2856.6","0.2","292.35","0.1","292.35","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C33 H28 Cl N O6 -","- C33 H28 Cl N O6 -","- C132 H112 Cl4 N4 O24 -","4","1","","Xiao, Yu; Lin, Jun-Bing; Zhao, Yin-Na; Liu, Jin-Yu; Xu, Peng-Fei","Exploring the Reactivity of Nitro-Activated 1,3-Enynes in an Organocatalytic One-Pot, Three-Component Coupling Reaction: A Tandem Catalytic Approach to a Novel 3-Nitrochroman Scaffold.","Organic letters","2016","18","24","6276","6279","10.1021/acs.orglett.6b03073","","x-ray","0.71073","MoKα","","0.0914","0.0584","","","0.1008","0.1205","","","","","","1.088","","","","has coordinates","239258","2020-10-21","18:00:00",""
"1555938","10.243","0.0003","9.991","0.0003","12.37","0.0004","90","","106.182","0.001","90","","1215.76","0.06","296","2","296","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C29 H26 F N O2 S -","- C29 H26 F N O2 S -","- C58 H52 F2 N2 O4 S2 -","2","1","","Xiao, Guolan; Ma, Chaoqun; Xing, Dong; Hu, Wenhao","Enantioselective Synthesis of α-Mercapto-β-amino Esters via Rh(II)/Chiral Phosphoric Acid-Cocatalyzed Three-Component Reaction of Diazo Compounds, Thiols, and Imines.","Organic letters","2016","18","23","6086","6089","10.1021/acs.orglett.6b03075","","","0.71073","MoKα","","0.0342","0.0317","","","0.0857","0.0882","","","","","","1.025","","","","has coordinates","239259","2020-10-21","18:00:00",""
"1555939","9.2014","0.0003","10.8506","0.0003","12.1","0.0004","90","","91.8595","0.0009","90","","1207.44","0.07","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C15 H16 O2 -","- C15 H16 O2 -","- C60 H64 O8 -","4","2","","Nelson, Jr, Shawn D; Wawer, Mathias J.; Schreiber, Stuart L.","Divergent Synthesis and Real-Time Biological Annotation of Optically Active Tetrahydrocyclopenta[c]pyranone Derivatives.","Organic letters","2016","18","24","6280","6283","10.1021/acs.orglett.6b03118","","","1.54178","CuKα","","0.0272","0.0272","","","0.0713","0.0713","","","","","","1.045","","","","has coordinates","239260","2020-10-21","18:00:00",""
"1555940","6.9162","0.0002","15.552","0.0004","12.5396","0.0003","90","","102.049","0.0009","90","","1319.05","0.06","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C15 H18 O4 -","- C15 H18 O4 -","- C60 H72 O16 -","4","2","","Nelson, Jr, Shawn D; Wawer, Mathias J.; Schreiber, Stuart L.","Divergent Synthesis and Real-Time Biological Annotation of Optically Active Tetrahydrocyclopenta[c]pyranone Derivatives.","Organic letters","2016","18","24","6280","6283","10.1021/acs.orglett.6b03118","","","1.54178","CuKα","","0.0285","0.0283","","","0.0734","0.0736","","","","","","1.04","","","","has coordinates","239261","2020-10-21","18:00:00",""
"1555941","6.3597","0.0002","8.5694","0.0002","22.6596","0.0005","90","","90","","90","","1234.92","0.06","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C15 H20 O2 -","- C15 H20 O2 -","- C60 H80 O8 -","4","1","","Nelson, Jr, Shawn D; Wawer, Mathias J.; Schreiber, Stuart L.","Divergent Synthesis and Real-Time Biological Annotation of Optically Active Tetrahydrocyclopenta[c]pyranone Derivatives.","Organic letters","2016","18","24","6280","6283","10.1021/acs.orglett.6b03118","","","1.54178","CuKα","","0.0296","0.0296","","","0.0772","0.0772","","","","","","1.062","","","","has coordinates","239262","2020-10-21","18:00:00",""
"1555942","36.538","0.006","14.716","0.001","30.585","0.006","90","","102.234","0.015","90","","16072","4","100","0.2","100","0.2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","ZnI tris(4-pyridyl)-1,3,5-triazene)2 MOF","","","- C60.84 H63.33 I6 N14.07 Zn3 -","- C60.84 H63.33 I6 N14.07 Zn3 -","- C486.72 H506.64 I48 N112.56 Zn24 -","8","1","","Waldhart, Greyson W.; Mankad, Neal P.; Santarsiero, Bernard D.","Improvements to the Practical Usability of the ""Crystalline Sponge"" Method for Organic Structure Determination.","Organic letters","2016","18","23","6112","6115","10.1021/acs.orglett.6b03119","","","0.70845","synchrotron","","0.1281","0.0916","","","0.2259","0.2463","","","","","","1.13","","","","has coordinates,has disorder","239263","2020-10-21","18:00:00",""
"1555943","34.026","0.002","15.046","0.001","30.424","0.001","90","","100.625","0.003","90","","15308.7","1.5","100","0.2","100","0.2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","ZnI tris(4-pyridyl)-1,3,5-triazene) MOF","","","- C48.64 H34.53 I6 N14.11 O4.21 Zn3 -","- C48.642 H34.535 I6 N14.107 O4.214 Zn3 -","- C389.136 H276.28 I48 N112.856 O33.712 Zn24 -","8","1","","Waldhart, Greyson W.; Mankad, Neal P.; Santarsiero, Bernard D.","Improvements to the Practical Usability of the ""Crystalline Sponge"" Method for Organic Structure Determination.","Organic letters","2016","18","23","6112","6115","10.1021/acs.orglett.6b03119","","","0.68878","synchrotron","","0.1017","0.0693","","","0.2003","0.2212","","","","","","1.059","","","","has coordinates,has disorder","239264","2020-10-21","18:00:00",""
"1555944","16.4591","0.0019","7.2887","0.0018","14.371","0.002","90","","90","0.003","90","","1724","0.5","150","2","150","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C20 H26 O5 -","- C20 H26 O5 -","- C80 H104 O20 -","4","1","","Mahdjour, Soumicha; Harche-Kaid, Meriem; Haidour, Alí; Chahboun, Rachid; Alvarez-Manzaneda, Enrique","Short Route to Cassane-Type Diterpenoids: Synthesis of the Supposed Structure of Benthaminin 1.","Organic letters","2016","18","22","5964","5967","10.1021/acs.orglett.6b03121","","","1.5405","CuKα","","0.0299","0.0274","","","0.068","0.0698","","","","","","1.078","","","","has coordinates","239265","2020-10-21","18:00:00",""
"1555945","23.889","0.007","10.077","0.003","12.378","0.003","90","","119.348","0.009","90","","2597.3","1.3","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C16 H12 N2 O2 -","- C16 H12 N2 O2 -","- C128 H96 N16 O16 -","8","1","","Kong, Lingkai; Wang, Mengdan; Zhang, Fangfang; Xu, Murong; Li, Yanzhong","Copper-Catalyzed Oxidative Dearomatization/Spirocyclization of Indole-2-Carboxamides: Synthesis of 2-Spiro-pseudoindoxyls.","Organic letters","2016","18","23","6124","6127","10.1021/acs.orglett.6b03131","","","0.71073","MoKα","","0.0738","0.0586","","","0.1551","0.1675","","","","","","1.04","","","","has coordinates","239266","2020-10-21","18:00:00",""
"1555946","7.46386","0.00006","20.34874","0.00017","14.16918","0.00013","90","","92.7434","0.0008","90","","2149.55","0.03","103","2","103","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C23 H39 O3 -","- C23 H39 O3 -","- C92 H156 O12 -","4","2","","Liu, Shao-Nan; Huang, Dane; Morris-Natschke, Susan L; Ma, Hang; Liu, Zhi-Hong; Seeram, Navindra P.; Xu, Jun; Lee, Kuo-Hsiung; Gu, Qiong","Euphomilones A and B, ent-Rosane Diterpenoids with 7/5/6 and 5/7/6 Skeletons from Euphorbia milii.","Organic letters","2016","18","23","6132","6135","10.1021/acs.orglett.6b03142","","x-ray","1.54184","CuKα","","0.0502","0.0482","","","0.1327","0.1358","","","","","","1.046","","","","has coordinates","275856","2022-06-07","07:08:27",""
"1555947","7.4778","0.00004","9.96312","0.00006","24.19049","0.00016","90","","90","","90","","1802.24","0.019","150","1","150","1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C20 H32 O3 -","- C20 H32 O3 -","- C80 H128 O12 -","4","1","","Liu, Shao-Nan; Huang, Dane; Morris-Natschke, Susan L; Ma, Hang; Liu, Zhi-Hong; Seeram, Navindra P.; Xu, Jun; Lee, Kuo-Hsiung; Gu, Qiong","Euphomilones A and B, ent-Rosane Diterpenoids with 7/5/6 and 5/7/6 Skeletons from Euphorbia milii.","Organic letters","2016","18","23","6132","6135","10.1021/acs.orglett.6b03142","","x-ray","1.54184","CuKα","","0.0334","0.0331","","","0.0889","0.0891","","","","","","1.066","","","","has coordinates","239268","2020-10-21","18:00:00",""
"1555948","22.1581","0.001","25.2375","0.0012","10.6695","0.0005","90","","108.244","0.003","90","","5666.6","0.5","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C26 H22 Cl N O4 S -","- C26 H22 Cl N O4 S -","- C208 H176 Cl8 N8 O32 S8 -","8","1","","Liu, Kang; Chang, Xin; Wang, Chun-Jiang","Nickel(II)-Catalyzed Cascade Vinylogous Mukaiyama 1,6-Michael/Michael Addition of 2-Silyloxyfuran with N-Sulfonyl-1-aza-1,3-dienes: Access to Fused Piperidine/Butyrolactone Skeletons.","Organic letters","2016","18","24","6288","6291","10.1021/acs.orglett.6b03150","","","1.54178","CuKα","","0.1355","0.1269","","","0.3668","0.3806","","","","","","1.672","","","","has coordinates","239269","2020-10-21","18:00:00",""
"1555949","6.0068","0.0008","15.6019","0.0019","12.0874","0.0016","90","","95.78","0.005","90","","1127","0.3","223","2","223","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H12 N2 O -","- C14 H12 N2 O -","- C56 H48 N8 O4 -","4","1","","Youn, So Won; Kim, Yi Hyun","Pd(II)/Ag(I)-Promoted One-Pot Synthesis of Cyclic Ureas from (Hetero)Aromatic Amines and Isocyanates.","Organic letters","2016","18","23","6140","6143","10.1021/acs.orglett.6b03151","","","0.71073","MoKα","","0.0636","0.0415","","","0.0946","0.1071","","","","","","1.046","","","","has coordinates","239270","2020-10-21","18:00:00",""
"1555950","12.0052","0.0002","7.5696","0.0001","12.6467","0.0002","90","","113.646","0.001","90","","1052.77","0.03","296","2","296","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C24 H34 O4 -","- C24 H34 O4 -","- C48 H68 O8 -","2","1","","Michalak, Karol; Morawiak, Maja; Wicha, Jerzy","Synthetic Approach to the Core Structure of Oleandrin and Related Cardiac Glycosides with Highly Functionalized Ring D.","Organic letters","2016","18","23","6148","6151","10.1021/acs.orglett.6b03157","","","1.54178","CuKα","","0.0457","0.0365","","","0.0879","0.0944","","","","","","1.041","","","","has coordinates","239271","2020-10-21","18:00:00",""
"1555951","6.1334","0.0013","25.169","0.006","7.7489","0.0016","90","","95.807","0.012","90","","1190.1","0.5","296","2","296","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C26 H38 O5 -","- C26 H38 O5 -","- C52 H76 O10 -","2","1","","Michalak, Karol; Morawiak, Maja; Wicha, Jerzy","Synthetic Approach to the Core Structure of Oleandrin and Related Cardiac Glycosides with Highly Functionalized Ring D.","Organic letters","2016","18","23","6148","6151","10.1021/acs.orglett.6b03157","","","1.54178","CuKα","","0.0647","0.0526","","","0.1516","0.1613","","","","","","1.014","","","","has coordinates","239272","2020-10-21","18:00:00",""
"1555952","9.2923","0.0006","9.2923","0.0006","38.5","0.003","90","","90","","90","","3324.4","0.4","150","2","150","2","","","","","","","","4","P 41 21 2","P 4abw 2nw","92","","","","- C14 H16 Cl4 O4 -","- C14 H16 Cl4 O4 -","- C112 H128 Cl32 O32 -","8","1","","Sarkar, Rahul; Mukherjee, Santanu","Catalytic Enantioselective Desymmetrization of Norbornenoquinones via C(sp<sup>2</sup>)-H Alkylation.","Organic letters","2016","18","23","6160","6163","10.1021/acs.orglett.6b03168","","","0.71073","MoKα","","0.0267","0.0242","","","0.0548","0.0558","","","","","","0.926","","","","has coordinates","239273","2020-10-21","18:00:00",""
"1555953","14.279","0.002","20.305","0.004","9.8589","0.0017","90","","119.294","0.002","90","","2492.9","0.7","296.15","","296.15","","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C30 H27 N3 O3 -","- C30 H27 N3 O3 -","- C120 H108 N12 O12 -","4","1","","Zhao, Yu; Chen, Jia-Rong; Xiao, Wen-Jing","Synthesis of Hydrazide-Containing Chroman-2-ones and Dihydroquinolin-2-ones via Photocatalytic Radical Cascade Reaction of Aroylhydrozones.","Organic letters","2016","18","24","6304","6307","10.1021/acs.orglett.6b03174","","","0.71073","MoKα","","0.0473","0.0389","","","0.1025","0.1092","","","","","","1.031","","","","has coordinates","239274","2020-10-21","18:00:00",""
"1555954","13.4161","0.0015","5.5776","0.0005","15.6055","0.0014","90","","106.023","0.003","90","","1122.39","0.19","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C13 H13 N O -","- C13 H13 N O -","- C52 H52 N4 O4 -","4","1","","Cheng, Wanli; Tang, Yanhua; Xu, Ze-Feng; Li, Chuan-Ying","Synthesis of Multifunctionalized 2-Carbonylpyrrole by Rhodium-Catalyzed Transannulation of 1-Sulfonyl-1,2,3-triazole with β-Diketone.","Organic letters","2016","18","23","6168","6171","10.1021/acs.orglett.6b03179","","","0.71073","MoKα","","0.0847","0.05","","","0.1194","0.1538","","","","","","1","","","","has coordinates","239275","2020-10-21","18:00:00",""
"1555955","8.7518","0.0002","8.9722","0.0002","13.5378","0.0003","90","","90","","90","","1063.03","0.04","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C13 H15 Cl O -","- C13 H15 Cl O -","- C52 H60 Cl4 O4 -","4","1","","Han, Yixin; Breitler, Simon; Zheng, Shao-Liang; Corey, E. J.","Enantioselective Conversion of Achiral Cyclohexadienones to Chiral Cyclohexenones by Desymmetrization.","Organic letters","2016","18","23","6172","6175","10.1021/acs.orglett.6b03186","","","1.54178","CuKα","","0.0201","0.0201","","","0.0523","0.0524","","","","","","1.089","","","","has coordinates","239276","2020-10-21","18:00:00",""
"1555956","18.9446","0.0005","24.3426","0.0006","6.2244","0.0002","90","","90","","90","","2870.45","0.14","147","2","147","2","","","","","","","","3","P b a 2","P 2 -2ab","32","","","","- C21 H16 O -","- C21 H16 O -","- C168 H128 O8 -","8","2","","Yoon, Hyung; Lossouarn, Alexis; Landau, Felicitas; Lautens, Mark","Pd-Catalyzed Spirocyclization via C-H Activation and Benzyne Insertion.","Organic letters","2016","18","24","6324","6327","10.1021/acs.orglett.6b03213","","","1.54178","CuKα","","0.032","0.0278","","","0.0668","0.0693","","","","","","1.052","","","","has coordinates","239277","2020-10-21","18:00:00",""
"1555957","11.8751","0.0011","8.3673","0.0008","15.6764","0.0016","90","","90.689","0.003","90","","1557.5","0.3","147","2","147","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H17 N O -","- C22 H17 N O -","- C88 H68 N4 O4 -","4","1","","Yoon, Hyung; Lossouarn, Alexis; Landau, Felicitas; Lautens, Mark","Pd-Catalyzed Spirocyclization via C-H Activation and Benzyne Insertion.","Organic letters","2016","18","24","6324","6327","10.1021/acs.orglett.6b03213","","","0.71073","MoKα","","0.0702","0.0411","","","0.0879","0.1014","","","","","","1.012","","","","has coordinates","239278","2020-10-21","18:00:00",""
"1555958","11.7599","0.001","18.0933","0.0013","23.3373","0.0019","90","","103.385","0.003","90","","4830.7","0.7","147","2","147","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C53 H44 Cl3 N O P2 Pd -","- C53 H44 Cl3 N O P2 Pd -","- C212 H176 Cl12 N4 O4 P8 Pd4 -","4","1","","Yoon, Hyung; Lossouarn, Alexis; Landau, Felicitas; Lautens, Mark","Pd-Catalyzed Spirocyclization via C-H Activation and Benzyne Insertion.","Organic letters","2016","18","24","6324","6327","10.1021/acs.orglett.6b03213","","","0.71073","MoKα","","0.0434","0.0289","","","0.0603","0.066","","","","","","1.025","","","","has coordinates","239279","2020-10-21","18:00:00",""
"1555959","8.9082","0.0006","9.9372","0.0008","11.1764","0.0008","90.17","0.003","100.71","0.003","95.382","0.003","967.63","0.12","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H18 Cl N O -","- C26 H17 Cl N O -","- C52 H34 Cl2 N2 O2 -","2","1","","Samineni, Ramesh; Bandi, Chandramohan Reddy C.; Srihari, Pabbaraja; Mehta, Goverdhan","Multiple Aryne Insertions into Oxindoles: Synthesis of Bioactive 3,3-Diarylated Oxindoles and Dibenzo[b,e]azepin-6-ones.","Organic letters","2016","18","23","6184","6187","10.1021/acs.orglett.6b03224","","","0.71073","MoKα","","0.1769","0.0675","","","0.1253","0.1544","","","","","","1.017","","","","has coordinates","239280","2020-10-21","18:00:00",""
"1555960","8.51","0.002","12.408","0.003","8.644","0.002","90","","90.049","0.004","90","","912.7","0.4","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","(E)-11-(2-(4-methylpiperazin-1-yl)-2-oxoethylidene)-5,11-dihydro-6H-dibenzo[b,e]azepin-6-one","","- C21 H21 N3 O2 -","- C21 H21 N3 O2 -","- C42 H42 N6 O4 -","2","1","","Samineni, Ramesh; Bandi, Chandramohan Reddy C.; Srihari, Pabbaraja; Mehta, Goverdhan","Multiple Aryne Insertions into Oxindoles: Synthesis of Bioactive 3,3-Diarylated Oxindoles and Dibenzo[b,e]azepin-6-ones.","Organic letters","2016","18","23","6184","6187","10.1021/acs.orglett.6b03224","","","0.71073","MoKα","","0.0366","0.0355","","","0.0913","0.0922","","","","","","1.075","","","","has coordinates","239281","2020-10-21","18:00:00",""
"1555961","8.996","0.003","9.168","0.004","14.637","0.007","90.061","0.017","106.475","0.014","117.452","0.014","1014.9","0.8","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H18 Br N O -","- C26 H18 Br N O -","- C52 H36 Br2 N2 O2 -","2","1","","Samineni, Ramesh; Bandi, Chandramohan Reddy C.; Srihari, Pabbaraja; Mehta, Goverdhan","Multiple Aryne Insertions into Oxindoles: Synthesis of Bioactive 3,3-Diarylated Oxindoles and Dibenzo[b,e]azepin-6-ones.","Organic letters","2016","18","23","6184","6187","10.1021/acs.orglett.6b03224","","","0.71073","MoKα","","0.2398","0.0632","","","0.157","0.2897","","","","","","1.092","","","","has coordinates","239282","2020-10-21","18:00:00",""
"1555962","11.5586","0.0007","37.6596","0.0019","12.2407","0.0007","90","","110.032","0.004","90","","5005.9","0.5","100","","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C57 H52 Cl4 N2 O7 -","- C57 H52 Cl4 N2 O7 -","- C228 H208 Cl16 N8 O28 -","4","1","","Zhu, Congzhi; Mu, Anthony U.; Lin, Yen-Hao; Guo, Zi-Hao; Yuan, Tianyu; Wheeler, Steven E.; Fang, Lei","Molecular Coplanarity and Self-Assembly Promoted by Intramolecular Hydrogen Bonds.","Organic letters","2016","18","24","6332","6335","10.1021/acs.orglett.6b03225","","","1.54178","CuKα","","0.1264","0.0875","","","0.1576","0.1759","","","","","","1.091","","","","has coordinates","239283","2020-10-21","18:00:00",""
"1555963","19.3264","0.0012","16.2685","0.001","9.8756","0.0006","90","","90","","90","","3105","0.3","100","2","100","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C66 H5 Co O -","- C66 H5 Co O -","- C264 H20 Co4 O4 -","4","1","","Hashikawa, Yoshifumi; Murata, Michihisa; Wakamiya, Atsushi; Murata, Yasujiro","Co(I)-Mediated Removal of Addends on the C<sub>60</sub> Cage and Formation of the Monovalent Cobalt Complex CpCo(CO)(η<sup>2</sup>-C<sub>60</sub>).","Organic letters","2016","18","24","6348","6351","10.1021/acs.orglett.6b03238","","","0.71073","MoKα","","0.0363","0.0344","","","0.0924","0.0957","","","","","","1.051","","","","has coordinates","239284","2020-10-21","18:00:00",""
"1555964","10.8707","0.0003","12.3272","0.0003","16.2931","0.0004","79.118","0.002","82.74","0.002","72.757","0.002","2041.96","0.09","100","2","100","2","","","","","","","","3","P -1","-P 1","2","SCX15_050","","","- C27 H27 N3 -","- C27 H27 N3 -","- C108 H108 N12 -","4","2","","Fandrick, Daniel R.; Hart, Christine A.; Okafor, Ifeanyi S.; Mercadante, Michael A.; Sanyal, Sanjit; Masters, James T.; Sarvestani, Max; Fandrick, Keith R.; Stockdill, Jennifer L.; Grinberg, Nelu; Gonnella, Nina; Lee, Heewon; Senanayake, Chris H.","Copper-Catalyzed Asymmetric Propargylation of Cyclic Aldimines.","Organic letters","2016","18","23","6192","6195","10.1021/acs.orglett.6b03253","","","1.54178","CuKα","","0.0425","0.0354","","","0.0908","0.0961","","","","","","1.016","","","","has coordinates","239285","2020-10-21","18:00:00",""
"1555965","5.9076","0.0004","8.2748","0.0006","28.655","0.004","90","","90","","90","","1400.8","0.2","99.9","0.3","99.9","0.3","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C19 H18 O -","- C19 H18 O -","- C76 H72 O4 -","4","1","","Kusy, Rafał; Grela, Karol","E- and Z-Selective Transfer Semihydrogenation of Alkynes Catalyzed by Standard Ruthenium Olefin Metathesis Catalysts.","Organic letters","2016","18","23","6196","6199","10.1021/acs.orglett.6b03254","","","1.54184","CuKα","","0.0545","0.0467","","","0.1207","0.1263","","","","","","1.027","","","","has coordinates","239286","2020-10-21","18:00:00",""
"1555966","10.9967","0.0003","16.5944","0.0004","25.1871","0.0005","90","","91.593","0.001","90","","4594.46","0.19","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C27 H22 Cl N O5 S -","- C27 H22 Cl N O5 S -","- C216 H176 Cl8 N8 O40 S8 -","8","2","","Xuan, Jun; Daniliuc, Constantin G.; Studer, Armido","Construction of Polycyclic γ-Lactams and Related Heterocycles via Electron Catalysis.","Organic letters","2016","18","24","6372","6375","10.1021/acs.orglett.6b03267","","","1.54178","CuKα","","0.0467","0.0429","","","0.116","0.1197","","","","","","1.044","","","","has coordinates,has disorder","239287","2020-10-21","18:00:00",""
"1555967","13.014","0.004","9.45","0.003","18.211","0.005","90","","98.828","0.008","90","","2213.1","1.2","120","2","120","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C21 H22 F2 N2 O7 -","- C21 H22 F2 N2 O7 -","- C84 H88 F8 N8 O28 -","4","1","","Evans, Christopher E.; Matarlo, Joe S.; Tonge, Peter J.; Tan, Derek S.","Stereoselective Synthesis, Docking, and Biological Evaluation of Difluoroindanediol-Based MenE Inhibitors as Antibiotics.","Organic letters","2016","18","24","6384","6387","10.1021/acs.orglett.6b03272","","","1.54178","CuKα","","0.0307","0.0305","","","0.0814","0.0816","","","","","","1.338","","","","has coordinates,has disorder","239288","2020-10-21","18:00:00",""
"1555968","7.1492","0.0004","10.4607","0.0005","12.1607","0.0006","77.086","0.003","77.386","0.004","87.983","0.004","864.96","0.08","296","","296.15","","","","","","","","","4","P -1","-P 1","2","","","","- C24 H16 N2 O2 -","- C24 H16 N2 O2 -","- C48 H32 N4 O4 -","2","1","","Zhang, Cheng; Huang, Jingjing; Qiu, Lihua; Xu, Xinfang","Thermally Induced [3 + 2] Cycloaddition of Alkynyl-Tethered Diazoamides: Synthetic and Mechanistic Insights.","Organic letters","2016","18","23","6208","6211","10.1021/acs.orglett.6b03288","","","0.71073","MoKα","","0.1142","0.0535","","","0.1162","0.1524","","","","","","1.041","","","","has coordinates","239289","2020-10-21","18:00:00",""
"1555969","12.2885","0.0009","6.3383","0.0005","17.583","0.0016","90","","100.49","0.007","90","","1346.62","0.19","278.04","0.1","278.04","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C12 H21 N3 O3 -","- C12 H21 N3 O3 -","- C48 H84 N12 O12 -","4","1","","Zhang, Cheng; Huang, Jingjing; Qiu, Lihua; Xu, Xinfang","Thermally Induced [3 + 2] Cycloaddition of Alkynyl-Tethered Diazoamides: Synthetic and Mechanistic Insights.","Organic letters","2016","18","23","6208","6211","10.1021/acs.orglett.6b03288","","","0.71073","MoKα","","0.096","0.0529","","","0.0988","0.1203","","","","","","1.041","","","","has coordinates","239290","2020-10-21","18:00:00",""
"1555970","7.1278","0.0005","11.0317","0.0007","24.0691","0.0017","90","","90","","90","","1892.6","0.2","100","","100","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C23 H31 N -","- C23 H31 N -","- C92 H124 N4 -","4","1","","Dethe, Dattatraya H.; Sau, Susanta Kumar; Mahapatra, Samarpita","Biomimetic Enantioselective Total Synthesis of (-)-Mycoleptodiscin A.","Organic letters","2016","18","24","6392","6395","10.1021/acs.orglett.6b03292","","","0.71073","MoKα","","0.1186","0.0599","","","0.0899","0.1037","","","","","","1.014","","","","has coordinates","239291","2020-10-21","18:00:00",""
"1555971","22.035","0.003","10.8485","0.0012","22.733","0.003","90","","114.59","0.004","90","","4941.4","1.1","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C33 H21 N O S -","- C33 H21 N O S -","- C264 H168 N8 O8 S8 -","8","2","","Shankar, Majji; Ghosh, Koushik; Mukherjee, Kallol; Rit, Raja K.; Sahoo, Akhila K.","Ru-Catalyzed One-Pot Diannulation of Heteroaryls: Direct Access to π-Conjugated Polycyclic Amides.","Organic letters","2016","18","24","6416","6419","10.1021/acs.orglett.6b03314","","","0.71073","MoKα","","0.1117","0.0557","","","0.1255","0.148","","","","","","1.045","","","","has coordinates","239292","2020-10-21","18:00:00",""
"1555972","17.6372","0.0012","11.5066","0.0009","12.8191","0.0009","90","","107.487","0.002","90","","2481.3","0.3","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C35 H22 F N O -","- C35 H22 F N O -","- C140 H88 F4 N4 O4 -","4","1","","Shankar, Majji; Ghosh, Koushik; Mukherjee, Kallol; Rit, Raja K.; Sahoo, Akhila K.","Ru-Catalyzed One-Pot Diannulation of Heteroaryls: Direct Access to π-Conjugated Polycyclic Amides.","Organic letters","2016","18","24","6416","6419","10.1021/acs.orglett.6b03314","","","0.71073","MoKα","","0.0841","0.0522","","","0.1203","0.1335","","","","","","1.056","","","","has coordinates","239293","2020-10-21","18:00:00",""
"1555973","10.8565","0.0007","16.1793","0.0011","12.2433","0.0009","90","","114.148","0.0019","90","","1962.3","0.2","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H29 B O4 -","- C19 H29 B O4 -","- C76 H116 B4 O16 -","4","1","","Butcher, Trevor W.; McClain, Edward J.; Hamilton, Tyler G.; Perrone, Trina M.; Kroner, Kayla M.; Donohoe, Gregory C.; Akhmedov, Novruz G.; Petersen, Jeffrey L.; Popp, Brian V.","Regioselective Copper-Catalyzed Boracarboxylation of Vinyl Arenes.","Organic letters","2016","18","24","6428","6431","10.1021/acs.orglett.6b03326","","","0.71073","MoKα","","0.0828","0.0599","","","0.1513","0.1699","","","","","","1.043","","","","has coordinates","239294","2020-10-21","18:00:00",""
"1555974","5.4346","0.0003","9.6489","0.0005","14.5339","0.0008","90","","99.157","0.002","90","","752.41","0.07","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C17 H14 Br N3 O -","- C17 H14 Br N3 O -","- C34 H28 Br2 N6 O2 -","2","1","","Vyas, Vijyesh K.; Bhanage, Bhalchandra M.","Kinetic Resolution Driven Diastereo- and Enantioselective Synthesis of cis-β-Heteroaryl Amino Cycloalkanols by Ruthenium-Catalyzed Asymmetric Transfer Hydrogenation.","Organic letters","2016","18","24","6436","6439","10.1021/acs.orglett.6b03334","","","0.71073","MoKα","","0.0252","0.0222","","","0.0431","0.044","","","","","","1.069","","","","has coordinates","239295","2020-10-21","18:00:00",""
"1555975","6.2872","0.0003","10.7075","0.0008","13.7223","0.0008","80.562","0.006","85.731","0.004","87.096","0.005","908.06","0.1","571","2","571","2","","","","","","","","5","P -1","-P 1","2","","","","- C11 H9 F0.5 N0.5 O1.5 -","- C11 H9 F0.5 N0.5 O1.5 -","- C44 H36 F2 N2 O6 -","4","2","","Liu, Jianchao; Peng, Hui; Lu, Lin; Xu, Xiaobing; Jiang, Huanfeng; Yin, Biaolin","Diastereospecific and Enantioselective Access to Dispirooxindoles from Furfurylcyclobutanols by Means of a Pd-Catalyzed Arylative Dearomatization/Ring Expansion Cascade.","Organic letters","2016","18","24","6440","6443","10.1021/acs.orglett.6b03339","","","1.54184","CuKα","","0.0424","0.0386","","","0.1001","0.1027","","","","","","1.046","","","","has coordinates","239296","2020-10-21","18:00:00",""
"1555976","11.7842","0.0004","10.5042","0.0004","16.7068","0.0006","90","","109.462","0.002","90","","1949.87","0.12","296","2","296","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","anti-9,10-Bis(2-chlorophenyl)phenanthrene","","- C26 H16 Cl2 -","- C26 H16 Cl2 -","- C104 H64 Cl8 -","4","1","","Li, Jen-Yi; Chang, Hung-Ing; Feng, Chieh-Ning; Wu, Yao-Ting","Rotation of Aryl Groups in 9,10-Diarylphenanthrenes: Does the Rotational Barrier Become Lower as the Backbone Becomes More Crowded?","Organic letters","2016","18","24","6444","6447","10.1021/acs.orglett.6b03343","","","0.71073","MoKα","","0.0412","0.0335","","","0.0901","0.0951","","","","","","1.066","","","","has coordinates","239297","2020-10-21","18:00:00",""
"1555977","7.2192","0.0009","12.2678","0.0016","27.633","0.003","90","","90","","90","","2447.3","0.5","100","2","100","2","","","","","","","","2","P 21 21 21","P 2ac 2ab","19","","","","- C34 H34 -","- C34 H34 -","- C136 H136 -","4","1","","Li, Jen-Yi; Chang, Hung-Ing; Feng, Chieh-Ning; Wu, Yao-Ting","Rotation of Aryl Groups in 9,10-Diarylphenanthrenes: Does the Rotational Barrier Become Lower as the Backbone Becomes More Crowded?","Organic letters","2016","18","24","6444","6447","10.1021/acs.orglett.6b03343","","","0.71073","MoKα","","0.0808","0.0683","","","0.1853","0.1947","","","","","","1.052","","","","has coordinates","239298","2020-10-21","18:00:00",""
"1555978","9.1927","0.0013","29.468","0.004","7.4968","0.0009","90","","104.857","0.007","90","","1962.9","0.5","296","2","296","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","syn-9,10-Bis(2-chlorophenyl)phenanthrene","","- C26 H16 Cl2 -","- C26 H16 Cl2 -","- C104 H64 Cl8 -","4","1","","Li, Jen-Yi; Chang, Hung-Ing; Feng, Chieh-Ning; Wu, Yao-Ting","Rotation of Aryl Groups in 9,10-Diarylphenanthrenes: Does the Rotational Barrier Become Lower as the Backbone Becomes More Crowded?","Organic letters","2016","18","24","6444","6447","10.1021/acs.orglett.6b03343","","","0.71073","MoKα","","0.0792","0.0428","","","0.1002","0.1226","","","","","","1.002","","","","has coordinates","239299","2020-10-21","18:00:00",""
"1555979","10.724","0.001","14.6596","0.0014","15.9412","0.0015","90","","106.043","0.002","90","","2408.5","0.4","100","2","100","2","","","","","","","","2","P 1 21/n 1","-P 2yn","14","","","","- C34 H34 -","- C34 H34 -","- C136 H136 -","4","1","","Li, Jen-Yi; Chang, Hung-Ing; Feng, Chieh-Ning; Wu, Yao-Ting","Rotation of Aryl Groups in 9,10-Diarylphenanthrenes: Does the Rotational Barrier Become Lower as the Backbone Becomes More Crowded?","Organic letters","2016","18","24","6444","6447","10.1021/acs.orglett.6b03343","","","0.71073","MoKα","","0.0621","0.0477","","","0.1194","0.1281","","","","","","1.051","","","","has coordinates","239300","2020-10-21","18:00:00",""
"1555981","11.8971","0.0006","5.9845","0.0003","12.3079","0.0007","90","","95.961","0.002","90","","871.56","0.08","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C22 H19 Br O2 -","- C22 H19 Br O2 -","- C44 H38 Br2 O4 -","2","1","","Ming, Jialin; Hayashi, Tamio","Aryloxymethyltrifluoroborates for Rhodium-Catalyzed Asymmetric Conjugate Arylation. o-Methoxyarylation through 1,4-Rhodium Shift.","Organic letters","2016","18","24","6452","6455","10.1021/acs.orglett.6b03347","","","1.54178","CuKα","","0.0267","0.0264","","","0.0694","0.0696","","","","","","1.09","","","","has coordinates","239302","2020-10-21","18:00:00",""
"1555982","15.792","0.003","12.08","0.003","19.334","0.004","90","","90","","90","","3688.3","1.4","296","2","296","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C22 H22 N2 O2 -","- C22 H22 N2 O2 -","- C176 H176 N16 O16 -","8","1","","Hu, Ming; Zou, Hua-Xu; Song, Ren-Jie; Xiang, Jian-Nan; Li, Jin-Heng","Copper-Catalyzed C-H Oxidative Radical Functionalization and Annulation of Aniline-Linked 1,7-Enynes: Evidence for a 1,5-Hydride Shift Mechanism.","Organic letters","2016","18","24","6460","6463","10.1021/acs.orglett.6b03352","","","0.71073","MoKα","","0.0822","0.0556","","","0.1371","0.1612","","","","","","1.049","","","","has coordinates","239303","2020-10-21","18:00:00",""
"1555983","8.02","0.002","19.607","0.006","7.492","0.002","90","","95.022","0.003","90","","1173.6","0.6","296","2","296","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C13 H14 O3 -","- C13 H14 O3 -","- C52 H56 O12 -","4","1","","Sun, Peng; Gao, Shang; Yang, Chi; Guo, Songjin; Lin, Aijun; Yao, Hequan","Controllable Rh(III)-Catalyzed Annulation between Salicylaldehydes and Diazo Compounds: Divergent Synthesis of Chromones and Benzofurans.","Organic letters","2016","18","24","6464","6467","10.1021/acs.orglett.6b03355","","","0.71073","MoKα","","0.0514","0.0438","","","0.1289","0.1342","","","","","","1.078","","","","has coordinates","239304","2020-10-21","18:00:00",""
"1555984","10.8033","0.0003","12.0109","0.0004","17.2824","0.0007","90","","90","","90","","2242.52","0.13","293.51","0.1","293.51","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C28 H24 Br N O2 -","- C28 H24 Br N O2 -","- C112 H96 Br4 N4 O8 -","4","1","","Shi, Ming-Lin; Zhan, Gu; Zhou, Su-Lan; Du, Wei; Chen, Ying-Chun","Asymmetric Inverse-Electron-Demand Oxa-Diels-Alder Reaction of Allylic Ketones through Dienamine Catalysis.","Organic letters","2016","18","24","6480","6483","10.1021/acs.orglett.6b03384","","x-ray","1.54184","CuKα","","0.0524","0.0505","","","0.1339","0.1376","","","","","","1.034","","","","has coordinates","239305","2020-10-21","18:00:00",""
"1555985","7.8152","0.0009","12.0816","0.0013","21.667","0.002","90","","90","","90","","2045.8","0.4","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C22 H28 O8 -","- C22 H28 O8 -","- C88 H112 O32 -","4","1","","Wu, Xing-De; Luo, Dan; Tu, Wen-Chao; Deng, Zhen-Tao; Chen, Xue-Jiao; Su, Jia; Ji, Xu; Zhao, Qin-Shi","Hypophyllins A-D, Labdane-Type Diterpenoids with Vasorelaxant Activity from Hypoestes phyllostachya ""Rosea"".","Organic letters","2016","18","24","6484","6487","10.1021/acs.orglett.6b03388","","","1.54178","CuKα","","0.0563","0.0388","","","0.1044","0.1406","","","","","","1.161","","","","has coordinates","239306","2020-10-21","18:00:00",""
"1555986","9.478","0.0014","9.5117","0.0013","21.743","0.003","90","","90","","90","","1960.2","0.5","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C21 H28 O6 -","- C21 H28 O6 -","- C84 H112 O24 -","4","1","","Wu, Xing-De; Luo, Dan; Tu, Wen-Chao; Deng, Zhen-Tao; Chen, Xue-Jiao; Su, Jia; Ji, Xu; Zhao, Qin-Shi","Hypophyllins A-D, Labdane-Type Diterpenoids with Vasorelaxant Activity from Hypoestes phyllostachya ""Rosea"".","Organic letters","2016","18","24","6484","6487","10.1021/acs.orglett.6b03388","","","1.54178","CuKα","","0.0318","0.0315","","","0.083","0.0837","","","","","","1.065","","","","has coordinates","239307","2020-10-21","18:00:00",""
"1555987","6.62","0.0004","10.9943","0.0007","27.0538","0.0018","90","","90","","90","","1969","0.2","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C21 H30 O6 -","- C21 H30 O6 -","- C84 H120 O24 -","4","1","","Wu, Xing-De; Luo, Dan; Tu, Wen-Chao; Deng, Zhen-Tao; Chen, Xue-Jiao; Su, Jia; Ji, Xu; Zhao, Qin-Shi","Hypophyllins A-D, Labdane-Type Diterpenoids with Vasorelaxant Activity from Hypoestes phyllostachya ""Rosea"".","Organic letters","2016","18","24","6484","6487","10.1021/acs.orglett.6b03388","","","1.54178","CuKα","","0.1392","0.1383","","","0.3486","0.3516","","","","","","1.746","","","","has coordinates","239308","2020-10-21","18:00:00",""
"1555988","7.128","0.0004","13.9482","0.0007","9.3993","0.0005","90","","92.464","0.002","90","","933.64","0.09","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C21 H28 O6 -","- C21 H28 O6 -","- C42 H56 O12 -","2","1","","Wu, Xing-De; Luo, Dan; Tu, Wen-Chao; Deng, Zhen-Tao; Chen, Xue-Jiao; Su, Jia; Ji, Xu; Zhao, Qin-Shi","Hypophyllins A-D, Labdane-Type Diterpenoids with Vasorelaxant Activity from Hypoestes phyllostachya ""Rosea"".","Organic letters","2016","18","24","6484","6487","10.1021/acs.orglett.6b03388","","","1.54178","CuKα","","0.0614","0.0607","","","0.1587","0.1603","","","","","","1.062","","","","has coordinates","239309","2020-10-21","18:00:00",""
"1555989","12.2561","0.0004","15.5951","0.0005","16.3454","0.0006","90","","97.262","0.002","90","","3099.12","0.18","147","2","147","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C18 H21 N O2 -","- C18 H21 N O2 -","- C144 H168 N8 O16 -","8","2","","Johnson, Thomas; Pultar, Felix; Menke, Friedericke; Lautens, Mark","Palladium-Catalyzed α-Arylation of Vinylogous Esters for the Synthesis of γ,γ-Disubstituted Cyclohexenones.","Organic letters","2016","18","24","6488","6491","10.1021/acs.orglett.6b03394","","","1.54178","CuKα","","0.0413","0.0391","","","0.0956","0.0975","","","","","","1.065","","","","has coordinates,has disorder","239310","2020-10-21","18:00:00",""
"1555990","16.0823","0.0017","18.0956","0.0019","28.619","0.003","90","","97.4057","0.0016","90","","8259.2","1.5","110","2","110","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C47 H50 N2 O5 S Si -","- C47 H50 N2 O5 S Si -","- C376 H400 N16 O40 S8 Si8 -","8","1","","Andreansky, Eric S.; Blakey, Simon B.","An Iminium Ion Cascade Annulation Strategy for the Synthesis of Akuammiline Alkaloid Pentacyclic Core Structures.","Organic letters","2016","18","24","6492","6495","10.1021/acs.orglett.6b03406","","","0.71073","MoKα","","0.0941","0.0684","","","0.1326","0.1526","","","","","","1.155","","","","has coordinates,has disorder","239311","2020-10-21","18:00:00",""
"1555991","17.4605","0.0007","8.5215","0.0003","15.4752","0.0006","90","","103.931","0.003","90","","2234.82","0.15","296","2","296","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C31 H18 O8 -","- C31 H18 O8 -","- C124 H72 O32 -","4","1","","Zhang, Ai Hua; Liu, Wen; Jiang, Nan; Xu, Qiang; Tan, Ren Xiang","Spirodalesol, an NLRP3 Inflammasome Activation Inhibitor.","Organic letters","2016","18","24","6496","6499","10.1021/acs.orglett.6b03435","","","1.54178","CuKα","","0.2149","0.1178","","","0.2069","0.2678","","","","","","1.041","","","","has coordinates","239312","2020-10-21","18:00:00",""
"1555995","37.5582","0.0009","37.5582","0.0009","9.9323","0.0003","90","","90","","120","","12133.6","0.6","298","2","298","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C36 H27 N O2 S -","- C36 H27 N O2 S -","- C648 H486 N18 O36 S18 -","18","1","","Jalal, Swapnadeep; Paul, Kartick; Jana, Umasish","Iron-Catalyzed 1,5-Enyne Cycloisomerization via 5-Endo-Dig Cyclization for the Synthesis of 3-(Inden-1-yl)indole Derivatives.","Organic letters","2016","18","24","6512","6515","10.1021/acs.orglett.6b03544","","","0.71073","MoKα","","0.119","0.053","","","0.1584","0.2213","","","","","","0.984","","","","has coordinates","239316","2020-10-21","18:00:00",""
"1556476","16.2901","0.0009","17.2775","0.0008","19.5167","0.0008","103.329","0.004","101.969","0.004","118.018","0.005","4388.4","0.5","180","2","180","2","","","","","","","","6","P -1","-P 1","2","","","","- C81 H108 Li N9 O9 Sn4 -","- C81 H108 Li N9 O9 Sn4 -","- C162 H216 Li2 N18 O18 Sn8 -","2","1","","Zeckert, K.","Monoanionic Tin Oligomers Featuring Sn-Sn or Sn-Pb Bonds: Synthesis and Characterization of a Tris(Triheteroarylstannyl)Stannate and -Plumbate","Inorganics","2016","4","","19","","10.3390/inorganics4020019","","","0.71073","MoKα","","0.1086","0.0574","","","0.0993","0.1172","","","","","","1.012","","","","has coordinates,has disorder","244959","2020-10-21","18:00:00",""
"1556477","17.2766","0.0004","19.4489","0.0006","28.6285","0.0007","88.874","0.002","85.776","0.002","65.256","0.003","8711.9","0.5","130","2","130","2","","","","","","","","7","P -1","-P 1","2","","","","- C81 H108 Li N9 O9 Pb Sn3 -","- C81 H108 Li N9 O9 Pb Sn3 -","- C324 H432 Li4 N36 O36 Pb4 Sn12 -","4","2","","Zeckert, K.","Monoanionic Tin Oligomers Featuring Sn-Sn or Sn-Pb Bonds: Synthesis and Characterization of a Tris(Triheteroarylstannyl)Stannate and -Plumbate","Inorganics","2016","4","","19","","10.3390/inorganics4020019","","","0.71073","MoKα","","0.0881","0.0531","","","0.092","0.105","","","","","","1.08","","","","has coordinates,has disorder","244960","2020-10-21","18:00:00",""
"1556478","14.4547","0.0003","14.4547","0.0003","8.7666","0.0003","90","","90","","120","","1586.28","0.07","130","2","130","2","","","","","","","","5","P -3","-P 3","147","","","","- C66 H84 N6 O6 Sn2 -","- C66 H84 N6 O6 Sn2 -","- C66 H84 N6 O6 Sn2 -","1","0.166667","","Zeckert, K.","Monoanionic Tin Oligomers Featuring Sn-Sn or Sn-Pb Bonds: Synthesis and Characterization of a Tris(Triheteroarylstannyl)Stannate and -Plumbate","Inorganics","2016","4","","19","","10.3390/inorganics4020019","","x-ray","0.71073","MoKα","","0.042","0.0321","","","0.06","0.0621","","","","","","1.056","","","","has coordinates","244961","2020-10-21","18:00:00",""
"1556479","9.3025","0.0003","10.1879","0.0004","15.2499","0.0006","104.318","0.002","106.891","0.002","95.661","0.002","1317.12","0.09","133","2","133","2","","","","","","","","4","P -1","-P 1","2","","","","- C32 H27 Br P2 -","- C32 H27 Br P2 -","- C64 H54 Br2 P4 -","2","1","","Koch, A.; Krieck, S.; Gorls, H.; Westerhausen, M.","Reduction of Bromo- and Iodo-2,6-bis(diphenylphosphanylmethyl)benzene with Magnesium and Calcium","Inorganics","2016","4","","39","","10.3390/inorganics4040039","","","0.71073","MoKα","","0.0494","0.038","","","0.0806","0.0863","","","","","","1.064","","","","has coordinates","244962","2020-10-21","18:00:00",""
"1556480","12.4695","0.0002","20.0948","0.0003","20.8722","0.0003","90","","90.828","0.001","90","","5229.45","0.14","133","2","133","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C64 H54 Mg P4 -","- C64 H54 Mg P4 -","- C256 H216 Mg4 P16 -","4","1","","Koch, A.; Krieck, S.; Gorls, H.; Westerhausen, M.","Reduction of Bromo- and Iodo-2,6-bis(diphenylphosphanylmethyl)benzene with Magnesium and Calcium","Inorganics","2016","4","","39","","10.3390/inorganics4040039","","","0.71073","MoKα","","0.0718","0.0576","","","0.1255","0.1342","","","","","","1.128","","","","has coordinates","244962","2020-10-21","18:00:00",""
"1556481","12.3778","0.0003","17.8753","0.0004","14.3016","0.0003","90","","103.851","0.001","90","","3072.31","0.12","133","2","133","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C56 H88 Ca2 I2 O12 P2 -","- C56 H88 Ca2 I2 O12 P2 -","- C112 H176 Ca4 I4 O24 P4 -","2","0.5","","Koch, A.; Krieck, S.; Gorls, H.; Westerhausen, M.","Reduction of Bromo- and Iodo-2,6-bis(diphenylphosphanylmethyl)benzene with Magnesium and Calcium","Inorganics","2016","4","","39","","10.3390/inorganics4040039","","","0.71073","MoKα","","0.0767","0.0701","","","0.1856","0.1914","","","","","","1.062","","","","has coordinates,has disorder","244962","2020-10-21","18:00:00",""
"1556482","11.4609","0.0003","11.5457","0.0003","14.2003","0.0003","90","","90","","90","","1879.04","0.08","133","2","133","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C12 H28 Br2 Ca O5 -","- C12 H28 Br2 Ca O5 -","- C48 H112 Br8 Ca4 O20 -","4","0.5","","Koch, A.; Krieck, S.; Gorls, H.; Westerhausen, M.","Reduction of Bromo- and Iodo-2,6-bis(diphenylphosphanylmethyl)benzene with Magnesium and Calcium","Inorganics","2016","4","","39","","10.3390/inorganics4040039","","","0.71073","MoKα","","0.0216","0.0185","","","0.0435","0.0452","","","","","","1.099","","","","has coordinates","244962","2020-10-21","18:00:00",""
"1556483","9.2087","0.0004","10.5543","0.0004","12.699","0.0005","71.752","0.001","70.245","0.001","73.105","0.001","1079.35","0.08","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C22 H26 N O2 P S Si -","- C22 H26 N O2 P S Si -","- C44 H52 N2 O4 P2 S2 Si2 -","2","1","","Feichtner, K.-S.; Gessner, V.H.","Synthesis and Characterization of a Sulfonyl- and Iminophosphoryl-Functionalized Methanide and Methandiide","Inorganics","2016","4","","40","","10.3390/inorganics4040040","","","0.71073","MoKα","","0.0321","0.029","","","0.1137","0.1189","","","","","","1.049","","","","has coordinates","244963","2020-10-21","18:00:00",""
"1556484","11.2841","0.001","15.3705","0.0014","16.8163","0.0015","112.315","0.003","90.34","0.003","110.779","0.003","2489.2","0.4","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C48 H58 K2 N2 O5 P2 S2 Si2 -","- C48 H58 K2 N2 O5 P2 S2 Si2 -","- C96 H116 K4 N4 O10 P4 S4 Si4 -","2","1","","Feichtner, K.-S.; Gessner, V.H.","Synthesis and Characterization of a Sulfonyl- and Iminophosphoryl-Functionalized Methanide and Methandiide","Inorganics","2016","4","","40","","10.3390/inorganics4040040","","","0.71073","MoKα","","0.0662","0.0408","","","0.0917","0.1028","","","","","","1.001","","","","has coordinates","244963","2020-10-21","18:00:00",""
"1556485","25.265","0.003","18.972","0.002","24.452","0.003","90","","116.547","0.003","90","","10485","2","100","2","100","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C98 H121 Li8 N4 O10.5 P4 S4 Si4 -","- C98 H121 Li8 N4 O10.5 P4 S4 Si4 -","- C392 H484 Li32 N16 O42 P16 S16 Si16 -","4","1","","Feichtner, K.-S.; Gessner, V.H.","Synthesis and Characterization of a Sulfonyl- and Iminophosphoryl-Functionalized Methanide and Methandiide","Inorganics","2016","4","","40","","10.3390/inorganics4040040","","","0.71073","MoKα","","0.1004","0.0494","","","0.0947","0.1144","","","","","","1.012","","","","has coordinates,has disorder","244963","2020-10-21","18:00:00",""
"1556735","15.955","0.01","15.955","0.01","7.227","0.004","90","","90","","120","","1593.2","1.7","","","298","","","","100","","","","","6","R 3 m :H","R 3 -2""","160","New structure","","maruyamaite, K-rich tourmaline","- Al7 B3 K Mg2 O28 Si6 -","- Al6.099 B3 Ca0.26 Fe0.6 K0.53 Mg2.187 Na0.19 O31 Si5.97 Ti0.141 -","- Al18.297 B9 Ca0.78 Fe1.8 K1.59 Mg6.561 Na0.57 O93 Si17.91 Ti0.423 -","3","0.166667","","Lussier, A.; Ball, N.A.; Hawthorne, F.C.; Henry, D.J.; Shimizu, R.; Ogasawara, Y.; Ota, T.","Maruyamaite, K(MgAl2)(Al5Mg)Si6O18(BO3)3O, a potassium-dominant tourmaline from the ultrahigh-pressure Kokchetav massif, northern Kazakhstan: Description and crystal structure","American Mineralogist","2016","101","","355","361","10.2138/am-2016-5359","","","","","","","","","","","","","","","","","","","","","has coordinates","245578","2020-10-21","18:00:00",""
"1556808","6.5705","0.0011","7.6756","0.0014","12.6098","0.0018","85.165","0.013","76.785","0.013","73.868","0.016","594.58","0.18","373","2","373.15","","","","","","","","","4","P -1","-P 1","2","","","","- C12 H14 Cl2 N2 -","- C12 H14 Cl2 N2 -","- C24 H28 Cl4 N4 -","2","1","","Sanjuan-Szklarz, W Fabiola; Hoser, Anna A.; Gutmann, Matthias; Madsen, Anders Østergaard; Woźniak, Krzysztof","Yes, one can obtain better quality structures from routine X-ray data collection.","IUCrJ","2016","3","Pt 1","61","70","10.1107/S2052252515020941","","","0.71073","MoKα","","0.0213","0.0206","","","0.0773","0.078","","","2.62","","","1.159","","","","has coordinates","246060","2020-10-21","18:00:00",""
"1556809","6.5705","0.0011","7.6756","0.0014","12.6098","0.0018","85.165","0.013","76.785","0.013","73.868","0.016","594.58","0.18","373","2","373.15","","","","","","","","","4","P -1","-P 1","2","","","","- C12 H14 Cl2 N2 -","- C12 H14 Cl2 N2 -","- C24 H28 Cl4 N4 -","2","1","","Sanjuan-Szklarz, W Fabiola; Hoser, Anna A.; Gutmann, Matthias; Madsen, Anders Østergaard; Woźniak, Krzysztof","Yes, one can obtain better quality structures from routine X-ray data collection.","IUCrJ","2016","3","Pt 1","61","70","10.1107/S2052252515020941","","","0.71073","MoKα","","0.0194","0.0179","","","0.0638","0.0654","","","2.62","","","1.089","","","","has coordinates","246060","2020-10-21","18:00:00",""
"1556810","6.5742","0.001","7.6702","0.0012","12.636","0.0019","85.26","0.011","76.735","0.011","73.823","0.011","595.5","0.16","","","","","","","","","","","","4","P -1","-P 1","2","","","","- C6 H7 Cl N -","- C6 H7 Cl N -","- C24 H28 Cl4 N4 -","4","2","","Sanjuan-Szklarz, W Fabiola; Hoser, Anna A.; Gutmann, Matthias; Madsen, Anders Østergaard; Woźniak, Krzysztof","Yes, one can obtain better quality structures from routine X-ray data collection.","IUCrJ","2016","3","Pt 1","61","70","10.1107/S2052252515020941","powder diffraction","","","","","","","","","","","","","2.62","","","","","","","has coordinates","246060","2020-10-21","18:00:00",""
"1556811","6.57","","7.676","","12.61","","85.17","","76.79","","73.87","","594.593","","","","","","","","","","","","","4","P -1","-P 1","2","","","","- C12 H14 Cl2 N2 -","- C12 H14 Cl2 N2 -","- C24 H28 Cl4 N4 -","2","1","","Sanjuan-Szklarz, W Fabiola; Hoser, Anna A.; Gutmann, Matthias; Madsen, Anders Østergaard; Woźniak, Krzysztof","Yes, one can obtain better quality structures from routine X-ray data collection.","IUCrJ","2016","3","Pt 1","61","70","10.1107/S2052252515020941","","","0.71073","MoKα","","0.0091","0.0101","","","0.0696","0.0697","","","2.62","","","2.972","","","","has coordinates","246060","2020-10-21","18:00:00",""
"1556812","6.57","","7.676","","12.61","","85.17","","76.79","","73.87","","594.593","","","","","","","","","","","","","4","P -1","-P 1","2","","","","- C12 H14 Cl2 N2 -","- C12 H14 Cl2 N2 -","- C24 H28 Cl4 N4 -","2","1","","Sanjuan-Szklarz, W Fabiola; Hoser, Anna A.; Gutmann, Matthias; Madsen, Anders Østergaard; Woźniak, Krzysztof","Yes, one can obtain better quality structures from routine X-ray data collection.","IUCrJ","2016","3","Pt 1","61","70","10.1107/S2052252515020941","","","0.71073","MoKα","","0.0094","0.0092","","","0.0427","0.0429","","","2.62","","","1.718","","","","has coordinates","246060","2020-10-21","18:00:00",""
"1556813","13.551","0.0005","8.0183","0.0003","14.8834","0.0004","90","","94.021","0.003","90","","1613.19","0.1","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C20 H14 Cl4 -","- C22 H16 Cl2 -","- C88 H64 Cl8 -","4","2","","Sanjuan-Szklarz, W Fabiola; Hoser, Anna A.; Gutmann, Matthias; Madsen, Anders Østergaard; Woźniak, Krzysztof","Yes, one can obtain better quality structures from routine X-ray data collection.","IUCrJ","2016","3","Pt 1","61","70","10.1107/S2052252515020941","","","0.71073","MoKα","","0.0216","0.0214","","","0.0588","0.0602","","","2.62","","","1.1","","","","has coordinates","246060","2020-10-21","18:00:00",""
"1556814","13.551","0.0005","8.0183","0.0003","14.8834","0.0004","90","","94.021","0.003","90","","1613.19","0.1","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C20 H14 Cl4 -","- C22 H16 Cl2 -","- C88 H64 Cl8 -","4","2","","Sanjuan-Szklarz, W Fabiola; Hoser, Anna A.; Gutmann, Matthias; Madsen, Anders Østergaard; Woźniak, Krzysztof","Yes, one can obtain better quality structures from routine X-ray data collection.","IUCrJ","2016","3","Pt 1","61","70","10.1107/S2052252515020941","","","0.71073","MoKα","","0.0269","0.0262","","","0.0724","0.0738","","","2.62","","","1.111","","","","has coordinates","246060","2020-10-21","18:00:00",""
"1556815","13.589","0.003","8.0415","0.0016","14.943","0.003","90","","93.998","0.013","90","","1628.9","0.6","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","1,4,-dichloro-9,10-dimethylotriptycene","1,4,-dichloro-9,10-dimethylotriptycene","","- C22 H16 Cl2 -","- C22 H16 Cl2 -","- C88 H64 Cl8 -","4","2","","Sanjuan-Szklarz, W Fabiola; Hoser, Anna A.; Gutmann, Matthias; Madsen, Anders Østergaard; Woźniak, Krzysztof","Yes, one can obtain better quality structures from routine X-ray data collection.","IUCrJ","2016","3","Pt 1","61","70","10.1107/S2052252515020941","","neutron","","Mo-Kα","","0.0724","0.0724","","","0.1923","0.1923","","","2.62","","","1.56","","","","has coordinates","246060","2020-10-21","18:00:00",""
"1556816","10.085","0.001","9.811","0.001","17.915","0.001","90","","101.639","0.001","90","","1736.1","0.3","103","2","103","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C14 H24 Cl2 N2 O2 -","- C14 H24 Cl2 N2 O2 -","- C56 H96 Cl8 N8 O8 -","4","1","","Sanjuan-Szklarz, W Fabiola; Hoser, Anna A.; Gutmann, Matthias; Madsen, Anders Østergaard; Woźniak, Krzysztof","Yes, one can obtain better quality structures from routine X-ray data collection.","IUCrJ","2016","3","Pt 1","61","70","10.1107/S2052252515020941","","","0.71073","MoKα","","0.0245","0.0235","","","0.084","0.0856","","","2.62","","","1.289","","","","has coordinates","246060","2020-10-21","18:00:00",""
"1556817","10.085","0.001","9.811","0.001","17.915","0.001","90","","101.639","0.001","90","","1736.1","0.3","103","2","103","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C14 H24 Cl2 N2 O2 -","- C14 H24 Cl2 N2 O2 -","- C56 H96 Cl8 N8 O8 -","4","1","","Sanjuan-Szklarz, W Fabiola; Hoser, Anna A.; Gutmann, Matthias; Madsen, Anders Østergaard; Woźniak, Krzysztof","Yes, one can obtain better quality structures from routine X-ray data collection.","IUCrJ","2016","3","Pt 1","61","70","10.1107/S2052252515020941","","","0.71073","MoKα","","0.0372","0.0327","","","0.0926","0.0977","","","2.62","","","1.164","","","","has coordinates","246060","2020-10-21","18:00:00",""
"1556818","10.085","0.001","9.811","0.001","17.915","0.001","90","","101.639","0.001","90","","1736.1","0.3","","","100.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C14 H24 Cl2 N2 O2 -","- C14 H24 Cl2 N2 O2 -","- C56 H96 Cl8 N8 O8 -","4","1","","Sanjuan-Szklarz, W Fabiola; Hoser, Anna A.; Gutmann, Matthias; Madsen, Anders Østergaard; Woźniak, Krzysztof","Yes, one can obtain better quality structures from routine X-ray data collection.","IUCrJ","2016","3","Pt 1","61","70","10.1107/S2052252515020941","","","0.71073","MoKα","","0.0806","0.0783","","","0.2879","0.2884","","","2.62","","","1.5059","","","","has coordinates","246060","2020-10-21","18:00:00",""
"1556819","10.085","","9.811","","17.915","","90","","101.64","","90","","1736.13","","","","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C14 H24 Cl2 N2 O2 -","- C14 H24 Cl2 N2 O2 -","- C56 H96 Cl8 N8 O8 -","4","1","","Sanjuan-Szklarz, W Fabiola; Hoser, Anna A.; Gutmann, Matthias; Madsen, Anders Østergaard; Woźniak, Krzysztof","Yes, one can obtain better quality structures from routine X-ray data collection.","IUCrJ","2016","3","Pt 1","61","70","10.1107/S2052252515020941","","","0.71073","MoKα","","0.0162","0.0149","","","0.0359","0.036","","","2.62","","","3.921","","","","has coordinates","246060","2020-10-21","18:00:00",""
"1556820","10.085","","9.811","","17.915","","90","","101.64","","90","","1736.13","","","","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C14 H24 Cl2 N2 O2 -","- C14 H24 Cl2 N2 O2 -","- C56 H96 Cl8 N8 O8 -","4","1","","Sanjuan-Szklarz, W Fabiola; Hoser, Anna A.; Gutmann, Matthias; Madsen, Anders Østergaard; Woźniak, Krzysztof","Yes, one can obtain better quality structures from routine X-ray data collection.","IUCrJ","2016","3","Pt 1","61","70","10.1107/S2052252515020941","","","0.71073","MoKα","","0.0221","0.0189","","","0.038","0.0382","","","2.62","","","3.009","","","","has coordinates","246060","2020-10-21","18:00:00",""
"1556821","15.0905","0.001","11.4741","0.0008","9.9484","0.0006","90","","90","","90","","1722.6","0.2","90","2","90","2","","","","","","","","3","C m c e","-C 2ac 2","64","","","","- C20 H30 Fe -","- C20 H30 Fe -","- C80 H120 Fe4 -","4","0.25","","Sanjuan-Szklarz, W Fabiola; Hoser, Anna A.; Gutmann, Matthias; Madsen, Anders Østergaard; Woźniak, Krzysztof","Yes, one can obtain better quality structures from routine X-ray data collection.","IUCrJ","2016","3","Pt 1","61","70","10.1107/S2052252515020941","","","0.71073","MoKα","","0.0214","0.021","","","0.0652","0.0656","","","2.62","","","1.505","","","","has coordinates","246060","2020-10-21","18:00:00",""
"1556822","15.0905","0.001","11.4741","0.0008","9.9484","0.0006","90","","90","","90","","1722.6","0.2","90","2","90","2","","","","","","","","3","C m c e","-C 2ac 2","64","","","","- C20 H30 Fe -","- C20 H30 Fe -","- C80 H120 Fe4 -","4","0.25","","Sanjuan-Szklarz, W Fabiola; Hoser, Anna A.; Gutmann, Matthias; Madsen, Anders Østergaard; Woźniak, Krzysztof","Yes, one can obtain better quality structures from routine X-ray data collection.","IUCrJ","2016","3","Pt 1","61","70","10.1107/S2052252515020941","","","0.71073","MoKα","","0.0253","0.0226","","","0.0632","0.0657","","","2.62","","","1.187","","","","has coordinates","246060","2020-10-21","18:00:00",""
"1556823","15.119","0.004","11.492","0.003","9.967","0.003","90","","90","","90","","1731.7","0.8","293","2","293","2","","","","","","","","3","C m c e","-C 2ac 2","64","","","","- C20 H30 Fe -","- C20 H30 Fe -","- C80 H120 Fe4 -","4","0.25","","Sanjuan-Szklarz, W Fabiola; Hoser, Anna A.; Gutmann, Matthias; Madsen, Anders Østergaard; Woźniak, Krzysztof","Yes, one can obtain better quality structures from routine X-ray data collection.","IUCrJ","2016","3","Pt 1","61","70","10.1107/S2052252515020941","","","0.71073","MoKα","","0.0886","0.0886","","","0.2442","0.2442","","","2.62","","","1.88","","","","has coordinates","246060","2020-10-21","18:00:00",""
"1556824","8.0798","0.0003","8.1645","0.0003","20.3778","0.0008","90","","90","","90","","1344.27","0.09","100","2","99.97","","","","","","","","","2","P 21 21 21","P 2ac 2ab","19","","","","- C20 H14 -","- C20 H14 -","- C80 H56 -","4","1","","Sanjuan-Szklarz, W Fabiola; Hoser, Anna A.; Gutmann, Matthias; Madsen, Anders Østergaard; Woźniak, Krzysztof","Yes, one can obtain better quality structures from routine X-ray data collection.","IUCrJ","2016","3","Pt 1","61","70","10.1107/S2052252515020941","","","0.71073","MoKα","","0.0252","0.025","","","0.0627","0.0629","","","2.62","","","1.091","","","","has coordinates","246060","2020-10-21","18:00:00",""
"1556825","8.0798","0.0003","8.1645","0.0003","20.3778","0.0008","90","","90","","90","","1344.27","0.09","100","2","99.97","","","","","","","","","2","P 21 21 21","P 2ac 2ab","19","","","","- C20 H14 -","- C20 H14 -","- C80 H56 -","4","1","","Sanjuan-Szklarz, W Fabiola; Hoser, Anna A.; Gutmann, Matthias; Madsen, Anders Østergaard; Woźniak, Krzysztof","Yes, one can obtain better quality structures from routine X-ray data collection.","IUCrJ","2016","3","Pt 1","61","70","10.1107/S2052252515020941","","","0.71073","MoKα","","0.0337","0.0328","","","0.0935","0.0943","","","2.62","","","1.122","","","","has coordinates","246060","2020-10-21","18:00:00",""
"1556826","8.1019","0.0013","8.1922","0.0013","20.442","0.003","90","","90","","90","","1356.8","0.4","100","2","100","2","","","","","","","","2","P 21 21 21","P 2ac 2ab","19","","triptycene","","- C20 H14 -","- C20 H14 -","- C80 H56 -","4","1","","Sanjuan-Szklarz, W Fabiola; Hoser, Anna A.; Gutmann, Matthias; Madsen, Anders Østergaard; Woźniak, Krzysztof","Yes, one can obtain better quality structures from routine X-ray data collection.","IUCrJ","2016","3","Pt 1","61","70","10.1107/S2052252515020941","","neutron","","Mo-Kα","","0.0726","0.0672","","","0.1557","0.1616","","","2.62","","","1.075","","","","has coordinates","246060","2020-10-21","18:00:00",""
"1556827","8.08","","8.165","","20.378","","90","","90","","90","","1344.4","","","","","","","","","","","","","2","P 21 21 21","P 2ac 2ab","19","","","","- C20 H14 -","- C20 H14 -","- C80 H56 -","4","1","","Sanjuan-Szklarz, W Fabiola; Hoser, Anna A.; Gutmann, Matthias; Madsen, Anders Østergaard; Woźniak, Krzysztof","Yes, one can obtain better quality structures from routine X-ray data collection.","IUCrJ","2016","3","Pt 1","61","70","10.1107/S2052252515020941","","","0.71073","MoKα","","0.0111","0.0109","","","0.0325","0.0326","","","2.62","","","1.226","","","","has coordinates","246060","2020-10-21","18:00:00",""
"1556828","8.08","","8.165","","20.378","","90","","90","","90","","1344.4","","","","","","","","","","","","","2","P 21 21 21","P 2ac 2ab","19","","","","- C20 H14 -","- C20 H14 -","- C80 H56 -","4","1","","Sanjuan-Szklarz, W Fabiola; Hoser, Anna A.; Gutmann, Matthias; Madsen, Anders Østergaard; Woźniak, Krzysztof","Yes, one can obtain better quality structures from routine X-ray data collection.","IUCrJ","2016","3","Pt 1","61","70","10.1107/S2052252515020941","","","0.71073","MoKα","","0.017","0.0161","","","0.0404","0.0407","","","2.62","","","1.17","","","","has coordinates","246060","2020-10-21","18:00:00",""
"1559838","11.4524","0.0007","10.1266","0.0006","12.3116","0.001","90","","122.009","0.001","90","","1210.74","0.14","296","2","296","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- B7 K9 Li3 Nd3 O21 -","- B7 K9 Li3 Nd3 O21 -","- B14 K18 Li6 Nd6 O42 -","2","0.5","","Chen, Pengyun; Xia, Mingjun; Li, Rukang","Mixed Alkali Neodymium Orthoborates: K9 Li3 Nd3 (BO3 )7 and A 2 LiNd(BO3 )2 (A = Rb, Cs)","Zeitschrift für anorganische und allgemeine Chemie","2016","642","5","424","430","10.1002/zaac.201500804","","","0.71073","MoKα","","0.0303","0.0298","","","0.0748","0.0753","","","","","","1.125","","","","has coordinates","260055","2020-12-21","17:55:32",""
"1559839","7.113","0.002","9.691","0.003","10.135","0.003","90","","90","","90","","698.6","0.4","296","2","296","2","","","","","","","","5","P b c m","-P 2c 2b","57","","","","- B2 Li Nd O6 Rb2 -","- B2 Li Nd O6 Rb2 -","- B8 Li4 Nd4 O24 Rb8 -","4","0.5","","Chen, Pengyun; Xia, Mingjun; Li, Rukang","Mixed Alkali Neodymium Orthoborates: K9 Li3 Nd3 (BO3 )7 and A 2 LiNd(BO3 )2 (A = Rb, Cs)","Zeitschrift für anorganische und allgemeine Chemie","2016","642","5","424","430","10.1002/zaac.201500804","","","0.71073","MoKα","","0.0618","0.0576","","","0.1329","0.1352","","","","","","1.222","","","","has coordinates","260056","2020-12-21","17:56:45",""
"1559840","7.2113","0.0003","9.9621","0.0004","10.3347","0.0004","90","","90","","90","","742.44","0.05","296","2","296","2","","","","","","","","5","P b c m","-P 2c 2b","57","","","","- B2 Cs2 Li Nd O6 -","- B2 Cs2 Li Nd O6 -","- B8 Cs8 Li4 Nd4 O24 -","4","0.5","","Chen, Pengyun; Xia, Mingjun; Li, Rukang","Mixed Alkali Neodymium Orthoborates: K9 Li3 Nd3 (BO3 )7 and A 2 LiNd(BO3 )2 (A = Rb, Cs)","Zeitschrift für anorganische und allgemeine Chemie","2016","642","5","424","430","10.1002/zaac.201500804","","","0.71073","MoKα","","0.0167","0.0166","","","0.0382","0.0383","","","","","","1.346","","","","has coordinates","260057","2020-12-21","17:58:27",""
"1561320","7.4963","0.001","10.9105","0.0013","11.4669","0.0015","111.743","0.004","99.371","0.004","100.616","0.004","828.35","0.19","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C9 H17 Gd N4 O11 -","- C9 H16 Gd N4 O11 -","- C18 H32 Gd2 N8 O22 -","2","1","","Zhang, Xiu-Mei; Li, Peng; Gao, Wei; Liu, Feng; Liu, Jie-Ping","Construction of three lanthanide metal-organic frameworks: Synthesis, structure, magnetic properties and highly selective sensing of metal ions","Journal of Solid State Chemistry","2016","244","","6","11","10.1016/j.jssc.2016.09.009","","","0.71073","MoKα","","0.0214","0.0197","","","0.0532","0.0542","","","","","","1.193","","","","has coordinates","263403","2021-03-29","07:19:34",""
"1561321","7.499","0.001","10.9055","0.0013","11.4538","0.0015","111.761","0.004","99.506","0.004","100.499","0.004","827.14","0.19","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C9 H17 N4 O11 Tb -","- C9 H16 N4 O11 Tb -","- C18 H32 N8 O22 Tb2 -","2","1","","Zhang, Xiu-Mei; Li, Peng; Gao, Wei; Liu, Feng; Liu, Jie-Ping","Construction of three lanthanide metal-organic frameworks: Synthesis, structure, magnetic properties and highly selective sensing of metal ions","Journal of Solid State Chemistry","2016","244","","6","11","10.1016/j.jssc.2016.09.009","","","0.71073","MoKα","","0.0189","0.0176","","","0.048","0.0487","","","","","","1.226","","","","has coordinates","263404","2021-03-29","07:20:34",""
"1561322","7.4832","0.001","10.9344","0.0013","11.4824","0.0015","111.817","0.004","99.39","0.004","100.699","0.004","828.86","0.19","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C9 H17 Dy N4 O11 -","- C9 H16 Dy N4 O11 -","- C18 H32 Dy2 N8 O22 -","2","1","","Zhang, Xiu-Mei; Li, Peng; Gao, Wei; Liu, Feng; Liu, Jie-Ping","Construction of three lanthanide metal-organic frameworks: Synthesis, structure, magnetic properties and highly selective sensing of metal ions","Journal of Solid State Chemistry","2016","244","","6","11","10.1016/j.jssc.2016.09.009","","","0.71073","MoKα","","0.0135","0.013","","","0.0321","0.0323","","","","","","1.144","","","","has coordinates","263405","2021-03-29","07:22:02",""
"1561323","7.4381","0.0009","14.6814","0.0018","21.426","0.003","90","","107.26","0.004","90","","2234.4","0.5","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C22 H19 Br Cd N4 O5 -","- C22 H19 Br Cd N4 O5 -","- C88 H76 Br4 Cd4 N16 O20 -","4","1","","Tang, Meng; Dong, Bao-Xia; Wu, Yi-Chen; Yang, Fang; Liu, Wen-Long; Teng, Yun-Lei","Diverse CdII coordination complexes derived from bromide isophthalic acid binding with auxiliary N-donor ligands","Journal of Solid State Chemistry","2016","244","","12","19","10.1016/j.jssc.2016.09.008","","","0.71073","MoKα","","0.0809","0.0496","","","0.1273","0.1453","","","","","","1.01","","","","has coordinates","263406","2021-03-29","07:55:33",""
"1561324","13.8331","0.0016","13.9331","0.0017","20.789","0.003","90","","105.485","0.001","90","","3861.4","0.9","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C18 H17 Br Cd N4 O4 -","- C18 H17 Br Cd N4 O4 -","- C144 H136 Br8 Cd8 N32 O32 -","8","1","","Tang, Meng; Dong, Bao-Xia; Wu, Yi-Chen; Yang, Fang; Liu, Wen-Long; Teng, Yun-Lei","Diverse CdII coordination complexes derived from bromide isophthalic acid binding with auxiliary N-donor ligands","Journal of Solid State Chemistry","2016","244","","12","19","10.1016/j.jssc.2016.09.008","","","0.71073","MoKα","","0.0445","0.0314","","","0.0747","0.0798","","","","","","1.03","","","","has coordinates","263407","2021-03-29","07:57:08",""
"1561325","15.466","0.004","8.0557","0.0018","18.445","0.003","90","","123.605","0.014","90","","1914","0.8","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C29 H30 Br2 Cd2 N6 O13 -","- C29 H30 Br2 Cd2 N6 O13 -","- C58 H60 Br4 Cd4 N12 O26 -","2","0.5","","Tang, Meng; Dong, Bao-Xia; Wu, Yi-Chen; Yang, Fang; Liu, Wen-Long; Teng, Yun-Lei","Diverse CdII coordination complexes derived from bromide isophthalic acid binding with auxiliary N-donor ligands","Journal of Solid State Chemistry","2016","244","","12","19","10.1016/j.jssc.2016.09.008","","","0.71073","MoKα","","0.0439","0.0313","","","0.0818","0.0887","","","","","","1.039","","","","has coordinates,has disorder","263408","2021-03-29","07:58:44",""
"1561326","14.5649","0.0015","7.8001","0.0007","16.8042","0.0017","90","","105.718","0.003","90","","1837.7","0.3","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C24 H36 Br2 Cd2 N6 O17 -","- C24 H36 Br2 Cd2 N6 O17 -","- C48 H72 Br4 Cd4 N12 O34 -","2","0.5","","Tang, Meng; Dong, Bao-Xia; Wu, Yi-Chen; Yang, Fang; Liu, Wen-Long; Teng, Yun-Lei","Diverse CdII coordination complexes derived from bromide isophthalic acid binding with auxiliary N-donor ligands","Journal of Solid State Chemistry","2016","244","","12","19","10.1016/j.jssc.2016.09.008","","","0.71073","MoKα","","0.0327","0.0296","","","0.0728","0.0745","","","","","","1.051","","","","has coordinates,has disorder","263409","2021-03-29","07:59:36",""
"1561327","11.038","0.002","11.249","0.002","16.132","0.003","75.24","0.03","82.8","0.03","75.26","0.03","1869.3","0.7","113.15","","113.15","","","","","","","","","5","P -1","-P 1","2","","","","- C32 H35 N5 O18 Sm2 -","- C32 H35 N5 O18 Sm2 -","- C64 H70 N10 O36 Sm4 -","2","1","","Du, Pei-Yao; Liao, Sheng-Yun; Gu, Wen; Liu, Xin","A multifunctional chemical sensor based on a three-dimensional lanthanide metal-organic framework","Journal of Solid State Chemistry","2016","244","","31","34","10.1016/j.jssc.2016.09.011","","","0.71073","MoKα","","0.0523","0.0463","","","0.1489","0.1557","","","","","","1.032","","","","has coordinates","263410","2021-03-29","08:48:40",""
"1561328","30.703","0.005","7.8834","0.0012","5.8115","0.0008","90","","90","","90","","1406.6","0.4","293","2","293","2","","","","","","","","4","I m a 2","I 2 -2a","46","","","","- C14 H12 Cd O7 -","- C14 H12 Cd O7 -","- C56 H48 Cd4 O28 -","4","0.5","","Singh, Suryabhan; Bhim, Anupam","Water linked 3D coordination polymers: Syntheses, structures and applications","Journal of Solid State Chemistry","2016","244","","151","159","10.1016/j.jssc.2016.09.025","","","0.71073","MoKα","","0.0259","0.0236","","","0.0549","0.0563","","","","","","1.134","","","","has coordinates","263411","2021-03-29","09:00:02",""
"1561329","28.807","0.004","7.5968","0.001","11.4852","0.0016","90","","90","","90","","2513.4","0.6","293","2","293","2","","","","","","","","4","P c c n","-P 2ab 2ac","56","","","","- C14 H10 O6 Pb -","- C14 H10 O6 Pb -","- C112 H80 O48 Pb8 -","8","1","","Singh, Suryabhan; Bhim, Anupam","Water linked 3D coordination polymers: Syntheses, structures and applications","Journal of Solid State Chemistry","2016","244","","151","159","10.1016/j.jssc.2016.09.025","","","0.71073","MoKα","","0.0259","0.0235","","","0.0492","0.05","","","","","","1.209","","","","has coordinates","263412","2021-03-29","09:01:06",""
"1561330","6.598","0.0003","11.2888","0.0006","12.4352","0.0006","66.96","0.005","78.305","0.004","81.581","0.004","832.32","0.08","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C37 H20 O14 Pb2 S2 -","- C37 H20 O14 Pb2 S2 -","- C37 H20 O14 Pb2 S2 -","1","0.5","","Singh, Suryabhan; Bhim, Anupam","Water linked 3D coordination polymers: Syntheses, structures and applications","Journal of Solid State Chemistry","2016","244","","151","159","10.1016/j.jssc.2016.09.025","","","0.71073","MoKα","","0.0399","0.0376","","","0.0957","0.0987","","","","","","1.051","","","","has coordinates","263413","2021-03-29","09:02:28",""
"1561331","24.185","0.002","24.185","0.002","27.067","0.003","90","","90","","90","","15832","3","103","2","103","2","","","","","","","","4","P -4 21 c","P -4 2n","114","","","","- O357 P8 Ta12 W60 -","- O357 P8 Ta12 W60 -","- O714 P16 Ta24 W120 -","2","0.25","","Li, Shujun; Peng, Qingpo; Chen, Xuenian; Wang, Ruoya; Zhai, Jianxin; Hu, Weihua; Ma, Fengji; Zhang, Jie; Liu, Shuxia","A Ta/W mixed addenda heteropolyacid with excellent acid catalytic activity and proton-conducting property","Journal of Solid State Chemistry","2016","243","","1","7","10.1016/j.jssc.2016.08.003","","","0.71073","MoKα","","0.1574","0.0841","","","0.1524","0.1893","","","","","","0.889","","","","has coordinates","263414","2021-03-29","09:15:27",""
"1561332","4.945","0.001","22.088","0.003","8.632","0.002","90","","91.47","0.01","90","","942.5","0.3","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- Al Li2 O12 P3 Sr2 -","- Al Li2 O12 P3 Sr2 -","- Al4 Li8 O48 P12 Sr8 -","4","1","","Kim, Sung-Chul; Kwak, Hyun-Jung; Yoo, Chung-Yul; Yun, Hoseop; Kim, Seung-Joo","Synthesis, crystal structure, and ionic conductivity of a new layered metal phosphate, Li2Sr2Al(PO4)3","Journal of Solid State Chemistry","2016","243","","12","17","10.1016/j.jssc.2016.08.006","","","0.71073","MoKα","","0.0472","0.0391","","","0.0977","0.1065","","","","","","1.095","","","","has coordinates","263415","2021-03-29","09:19:28",""
"1561333","12.6248","0.0005","12.6248","0.0005","19.4387","0.0018","90","","90","","90","","3098.2","0.3","150","","150","","","","","","","","","3","I -4 2 d","I -4 2bw","122","","","","- In2.67 S8 Sb1.33 -","- In2.67 S8 Sb1.33 -","- In10.68 S32 Sb5.32 -","4","0.25","","Lampkin, John D.; Powell, Anthony V.; Chippindale, Ann M.","Solvothermal synthesis of a new 3-D mixed-metal sulfide framework, (H1.33tren)[In2.67Sb1.33S8]·tren","Journal of Solid State Chemistry","2016","243","","44","49","10.1016/j.jssc.2016.08.007","","","0.71073","MoKα","","0.0608","0.0547","","0.0604","0.0565","0.0552","","","","","","0.9974","","","","has coordinates","263416","2021-03-29","09:25:06",""
"1561334","35.13","0.003","5.5269","0.0004","7.8852","0.0006","90","","95.245","0.007","90","","1524.6","0.2","273","2","273","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C12 H12 Hg2 O6 P2 -","- C12 H10 Hg2 O6 P2 -","- C48 H40 Hg8 O24 P8 -","4","0.5","","Padalwar, Nitin Balkrushna; Vidyasagar, Kanamaluru","Synthetic and structural investigations of mercurous and mercuric organophosphonates and phenylarsonates","Journal of Solid State Chemistry","2016","243","","83","94","10.1016/j.jssc.2016.08.012","","","0.71073","MoKα","","0.0653","0.0511","","","0.1504","0.1659","","","","","","1.052","","","","has coordinates","263417","2021-03-29","09:36:06",""
"1561335","25.3443","0.001","5.4417","0.0002","7.8749","0.0003","90","","107.043","0.003","90","","1038.38","0.07","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C6 H6 Hg2 O6 P2 -","- C6 H4 Hg2 O6 P2 -","- C24 H16 Hg8 O24 P8 -","4","0.5","","Padalwar, Nitin Balkrushna; Vidyasagar, Kanamaluru","Synthetic and structural investigations of mercurous and mercuric organophosphonates and phenylarsonates","Journal of Solid State Chemistry","2016","243","","83","94","10.1016/j.jssc.2016.08.012","","","0.71073","MoKα","","0.039","0.0301","","","0.0909","0.1144","","","","","","1.165","","","","has coordinates","263417","2021-03-29","09:36:07",""
"1561336","5.5393","0.0018","7.8707","0.0018","16.846","0.005","100.392","0.015","99.452","0.013","90.074","0.009","712.2","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C12 H10 Hg2 O6 P2 -","- C12 H8 Hg2 O6 P2 -","- C24 H16 Hg4 O12 P4 -","2","1","","Padalwar, Nitin Balkrushna; Vidyasagar, Kanamaluru","Synthetic and structural investigations of mercurous and mercuric organophosphonates and phenylarsonates","Journal of Solid State Chemistry","2016","243","","83","94","10.1016/j.jssc.2016.08.012","","","0.71073","MoKα","","0.1284","0.093","","","0.2517","0.2898","","","","","","1.001","","","","has coordinates","263417","2021-03-29","09:36:07",""
"1561337","9.4564","0.0006","7.7843","0.0005","6.9497","0.0004","90","","97.781","0.002","90","","506.87","0.05","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C4 H10 Hg2 O6 P2 -","- C4 H10 Hg2 O6 P2 -","- C8 H20 Hg4 O12 P4 -","2","0.5","","Padalwar, Nitin Balkrushna; Vidyasagar, Kanamaluru","Synthetic and structural investigations of mercurous and mercuric organophosphonates and phenylarsonates","Journal of Solid State Chemistry","2016","243","","83","94","10.1016/j.jssc.2016.08.012","","","0.71073","MoKα","","0.0259","0.0246","","","0.0655","0.0662","","","","","","1.066","","","","has coordinates","263417","2021-03-29","09:36:07",""
"1561338","4.9842","0.0007","5.7158","0.0009","17.259","0.003","90","","97.398","0.008","90","","487.59","0.13","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C6 H7 Hg2 O4 P -","- C6 Hg2 O4 P -","- C12 Hg4 O8 P2 -","2","1","","Padalwar, Nitin Balkrushna; Vidyasagar, Kanamaluru","Synthetic and structural investigations of mercurous and mercuric organophosphonates and phenylarsonates","Journal of Solid State Chemistry","2016","243","","83","94","10.1016/j.jssc.2016.08.012","","","0.71073","MoKα","","0.0896","0.0736","","","0.1944","0.2063","","","","","","1.077","","","","has coordinates","263417","2021-03-29","09:36:07",""
"1561339","10.4206","0.0004","11.1146","0.0005","8.2424","0.0003","90","","90","","90","","954.64","0.07","293","2","293","2","","","","","","","","5","I b a m","-I 2 2c","72","","","","- C2 H4 Hg4 O6 P2 -","- C2 H4 Hg4 O6 P2 -","- C8 H16 Hg16 O24 P8 -","4","0.25","","Padalwar, Nitin Balkrushna; Vidyasagar, Kanamaluru","Synthetic and structural investigations of mercurous and mercuric organophosphonates and phenylarsonates","Journal of Solid State Chemistry","2016","243","","83","94","10.1016/j.jssc.2016.08.012","","","0.71073","MoKα","","0.0514","0.0376","","","0.0857","0.0918","","","","","","1.094","","","","has coordinates","263417","2021-03-29","09:36:07",""
"1561340","11.9725","0.0007","10.4147","0.0007","8.3646","0.0006","90","","90","","90","","1042.98","0.12","293","2","293","2","","","","","","","","5","C m c m","-C 2c 2","63","","","","- C3 H6 Hg4 O6 P2 -","- C3 H4 Hg4 O6 P2 -","- C12 H16 Hg16 O24 P8 -","4","0.25","","Padalwar, Nitin Balkrushna; Vidyasagar, Kanamaluru","Synthetic and structural investigations of mercurous and mercuric organophosphonates and phenylarsonates","Journal of Solid State Chemistry","2016","243","","83","94","10.1016/j.jssc.2016.08.012","","","0.71073","MoKα","","0.0556","0.0384","","","0.0798","0.0882","","","","","","1.073","","","","has coordinates","263417","2021-03-29","09:36:07",""
"1561341","5.886","0.002","14.422","0.003","5.092","0.006","90","","90","","90","","432.2","0.5","293","2","293","2","","","","","","","","5","P m n 21","P 2ac -2","31","","","","- C6 H7 Hg O4 P -","- C6.003 Hg O4 P -","- C12.006 Hg2 O8 P2 -","2","0.5","","Padalwar, Nitin Balkrushna; Vidyasagar, Kanamaluru","Synthetic and structural investigations of mercurous and mercuric organophosphonates and phenylarsonates","Journal of Solid State Chemistry","2016","243","","83","94","10.1016/j.jssc.2016.08.012","","","0.71073","MoKα","","0.0184","0.0169","","","0.0385","0.0391","","","","","","1.078","","","","has coordinates","263417","2021-03-29","09:36:07",""
"1561342","15.1488","0.0012","5.9835","0.0005","10.4012","0.0008","90","","93.592","0.004","90","","940.94","0.13","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C7 H9 Hg O4 P -","- C7 H7 Hg O4 P -","- C28 H28 Hg4 O16 P4 -","4","1","","Padalwar, Nitin Balkrushna; Vidyasagar, Kanamaluru","Synthetic and structural investigations of mercurous and mercuric organophosphonates and phenylarsonates","Journal of Solid State Chemistry","2016","243","","83","94","10.1016/j.jssc.2016.08.012","","","0.71073","MoKα","","0.108","0.0666","","","0.1755","0.221","","","","","","1.045","","","","has coordinates","263417","2021-03-29","09:36:07",""
"1561343","5.957","0.0012","14.76","0.003","5.219","0.001","90","","90","","90","","458.88","0.16","293","2","293","2","","","","","","","","5","P m n 21","P 2ac -2","31","","","","- C6 H7 As Hg O4 -","- C6.56 As Hg O4 -","- C13.12 As2 Hg2 O8 -","2","0.5","","Padalwar, Nitin Balkrushna; Vidyasagar, Kanamaluru","Synthetic and structural investigations of mercurous and mercuric organophosphonates and phenylarsonates","Journal of Solid State Chemistry","2016","243","","83","94","10.1016/j.jssc.2016.08.012","","","0.71073","MoKα","","0.0482","0.0443","","","0.1071","0.1112","","","","","","1.091","","","","has coordinates","263417","2021-03-29","09:36:07",""
"1561344","5.8417","0.0011","8.2487","0.0015","15.443","0.003","92.536","0.009","92.87","0.009","83.446","0.009","737.8","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H22 As4 Hg3 O12 -","- C24 H20 As4 Hg3 O12 -","- C24 H20 As4 Hg3 O12 -","1","0.5","","Padalwar, Nitin Balkrushna; Vidyasagar, Kanamaluru","Synthetic and structural investigations of mercurous and mercuric organophosphonates and phenylarsonates","Journal of Solid State Chemistry","2016","243","","83","94","10.1016/j.jssc.2016.08.012","","","0.71073","MoKα","","0.0813","0.0604","","","0.1842","0.21","","","","","","1.085","","","","has coordinates","263417","2021-03-29","09:36:07",""
"1561345","19.5015","0.0019","5.4898","0.0005","20.311","0.002","90","","103.726","0.003","90","","2112.4","0.4","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C12 H12 Hg5 O14 P4 -","- C12 H8 Hg5 O14 P4 -","- C48 H32 Hg20 O56 P16 -","4","0.5","","Padalwar, Nitin Balkrushna; Vidyasagar, Kanamaluru","Synthetic and structural investigations of mercurous and mercuric organophosphonates and phenylarsonates","Journal of Solid State Chemistry","2016","243","","83","94","10.1016/j.jssc.2016.08.012","","","0.71073","MoKα","","0.1509","0.0892","","","0.1635","0.1842","","","","","","1.094","","","","has coordinates","263417","2021-03-29","09:36:07",""
"1561347","13.0101","0.0005","14.5594","0.0006","19.4444","0.0008","81.734","0.003","75.23","0.004","85.989","0.003","3522.3","0.3","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C40 H106 Co4 N8 O133 Si2 W24 -","- C40 H106 Co4 N8 O133 Si2 W24 -","- C40 H106 Co4 N8 O133 Si2 W24 -","1","0.5","","Teng, Chunlin; Xiao, Hanxi; Cai, Qing; Tang, Jianting; Cai, Tiejun; Deng, Qian","Two supramolecular complexes based on polyoxometalates and Co-EDTA units via covalent connection or non-covalent interaction","Journal of Solid State Chemistry","2016","243","","146","153","10.1016/j.jssc.2016.08.021","","","0.71","MoKα","","0.0954","0.0682","","","0.1804","0.1985","","","","","","1.025","","","","has coordinates,has disorder","263429","2021-03-30","07:57:56",""
"1561348","15.4691","0.0006","29.3237","0.0013","16.5389","0.0007","90","","102.16","0.001","90","","7333.9","0.5","296","2","296","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C80 H198 Co8 N16 Na22 O275 Si4 W48 -","- C80 H198 Co8 N16 Na22 O275 Si4 W48 -","- C80 H198 Co8 N16 Na22 O275 Si4 W48 -","1","0.25","","Teng, Chunlin; Xiao, Hanxi; Cai, Qing; Tang, Jianting; Cai, Tiejun; Deng, Qian","Two supramolecular complexes based on polyoxometalates and Co-EDTA units via covalent connection or non-covalent interaction","Journal of Solid State Chemistry","2016","243","","146","153","10.1016/j.jssc.2016.08.021","","","0.71073","MoKα","","0.0758","0.0524","","","0.1316","0.1415","","","","","","1.089","","","","has coordinates,has disorder","263429","2021-03-30","07:57:57",""
"1561349","14.3713","0.0005","7.7224","0.00023","19.6297","0.0007","90","","132.607","0.0009","90","","1603.41","0.1","100","","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C H10 B9 Na -","- C H10 B9 Na -","- C8 H80 B72 Na8 -","8","2","","Wu, Hui; Tang, Wan Si; Zhou, Wei; Tarver, Jacob D.; Stavila, Vitalie; Brown, Craig M.; Udovic, Terrence J.","The low-temperature structural behavior of sodium 1-carba-closo-decaborate: NaCB9H10","Journal of Solid State Chemistry","2016","243","","162","167","10.1016/j.jssc.2016.08.024","powder diffraction","x-ray","0.72768","synchrotron","","","","","","","","0.04794","","3.21","","","","","","","has coordinates","263430","2021-03-30","08:02:29",""
"1561350","9.98301","0.00032","10.6367","0.00032","7.82665","0.00022","90","","90","","90","","831.08","0.04","298","","298","","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C H10 B9 Na -","- C H10 B9 Na -","- C4 H40 B36 Na4 -","4","1","","Wu, Hui; Tang, Wan Si; Zhou, Wei; Tarver, Jacob D.; Stavila, Vitalie; Brown, Craig M.; Udovic, Terrence J.","The low-temperature structural behavior of sodium 1-carba-closo-decaborate: NaCB9H10","Journal of Solid State Chemistry","2016","243","","162","167","10.1016/j.jssc.2016.08.024","powder diffraction","x-ray","0.72768","synchrotron","","","","","","","","0.08624","","3.79","","","","","","","has coordinates","263430","2021-03-30","08:02:29",""
"1561351","7.762","","7.762","","11.092","","90","","90","","90","","668.278","","293","2","293","2","","","","","","","","3","I 4 c m","I 4 -2c","108","","","","- Al0.5 Ge2 U1.5 -","- Al0.54 Ge1.96 U1.5 -","- Al4.32 Ge15.68 U12 -","8","0.5","","Moussa, C.; El Sayah, Z.; Chajewski, G.; Berche, A.; Dorcet, V.; Pikul, A.P.; Pasturel, M.; Joanny, L.; Stepnik, B.; Tougait, O.","Investigation of the phase relations in the U-Al-Ge ternary system: Influence of the Al/Ge substitution on the properties of the intermediate phases","Journal of Solid State Chemistry","2016","243","","168","178","10.1016/j.jssc.2016.08.008","","","0.71073","MoKα","","0.046","0.0283","","","0.0424","0.0449","","","","","","1.042","","","","has coordinates","263431","2021-03-30","08:05:39",""
"1561352","7.762","","7.762","","11.092","","90","","90","","90","","668.278","","293","2","293","2","","","","","","","","3","I 4/m c m","-I 4 2c","140","","","","- Al Ge4 U3 -","- Al1.064 Ge3.936 U3 -","- Al4.256 Ge15.744 U12 -","4","0.125","","Moussa, C.; El Sayah, Z.; Chajewski, G.; Berche, A.; Dorcet, V.; Pikul, A.P.; Pasturel, M.; Joanny, L.; Stepnik, B.; Tougait, O.","Investigation of the phase relations in the U-Al-Ge ternary system: Influence of the Al/Ge substitution on the properties of the intermediate phases","Journal of Solid State Chemistry","2016","243","","168","178","10.1016/j.jssc.2016.08.008","","","0.71073","MoKα","","0.0494","0.0314","","","0.0536","0.0567","","","","","","1.147","","","","has coordinates","263432","2021-03-30","08:15:12",""
"1561353","7.724","","7.724","","11.056","","90","","90","","90","","659.603","","293","2","293","2","","","","","","","","3","I 4 c m","I 4 -2c","108","","","","- Al2 Ge3 U3 -","- Al0.52 Ge4.48 U3 -","- Al2.08 Ge17.92 U12 -","4","0.25","","Moussa, C.; El Sayah, Z.; Chajewski, G.; Berche, A.; Dorcet, V.; Pikul, A.P.; Pasturel, M.; Joanny, L.; Stepnik, B.; Tougait, O.","Investigation of the phase relations in the U-Al-Ge ternary system: Influence of the Al/Ge substitution on the properties of the intermediate phases","Journal of Solid State Chemistry","2016","243","","168","178","10.1016/j.jssc.2016.08.008","","","0.71073","MoKα","","0.0544","0.0308","","","0.0451","0.0489","","","","","","0.984","","","","has coordinates","263433","2021-03-30","08:16:40",""
"1561354","7.724","","7.724","","11.056","","90","","90","","90","","659.603","","293","2","293","2","","","","","","","","3","I 4/m c m","-I 4 2c","140","","","","- Al0.5 Ge4.5 U3 -","- Al0.532 Ge4.468 U3 -","- Al2.128 Ge17.872 U12 -","4","0.125","","Moussa, C.; El Sayah, Z.; Chajewski, G.; Berche, A.; Dorcet, V.; Pikul, A.P.; Pasturel, M.; Joanny, L.; Stepnik, B.; Tougait, O.","Investigation of the phase relations in the U-Al-Ge ternary system: Influence of the Al/Ge substitution on the properties of the intermediate phases","Journal of Solid State Chemistry","2016","243","","168","178","10.1016/j.jssc.2016.08.008","","","0.71073","MoKα","","0.0549","0.0313","","","0.0458","0.0494","","","","","","0.991","","","","has coordinates","263434","2021-03-30","08:18:03",""
"1561355","7.753","","7.753","","11.055","","90","","90","","90","","664.505","","293","2","293","2","","","","","","","","3","I 4 c m","I 4 -2c","108","","","","- Al1.5 Ge3.5 U3 -","- Al1.418 Ge3.582 U3 -","- Al5.672 Ge14.328 U12 -","4","0.25","","Moussa, C.; El Sayah, Z.; Chajewski, G.; Berche, A.; Dorcet, V.; Pikul, A.P.; Pasturel, M.; Joanny, L.; Stepnik, B.; Tougait, O.","Investigation of the phase relations in the U-Al-Ge ternary system: Influence of the Al/Ge substitution on the properties of the intermediate phases","Journal of Solid State Chemistry","2016","243","","168","178","10.1016/j.jssc.2016.08.008","","","0.71073","MoKα","","0.0533","0.0293","","","0.0494","0.0529","","","","","","1.028","","","","has coordinates","263435","2021-03-30","08:19:31",""
"1561356","7.7684","0.001","7.7684","0.001","11.0741","0.001","90","","90","","90","","668.3","0.14","293","2","293","2","","","","","","","","3","I 4 c m","I 4 -2c","108","","","","- Al2.07 Ge2.93 U3 -","- Al2.06 Ge2.94 U3 -","- Al8.24 Ge11.76 U12 -","4","0.25","","Moussa, C.; El Sayah, Z.; Chajewski, G.; Berche, A.; Dorcet, V.; Pikul, A.P.; Pasturel, M.; Joanny, L.; Stepnik, B.; Tougait, O.","Investigation of the phase relations in the U-Al-Ge ternary system: Influence of the Al/Ge substitution on the properties of the intermediate phases","Journal of Solid State Chemistry","2016","243","","168","178","10.1016/j.jssc.2016.08.008","","","0.71073","MoKα","","0.1161","0.0412","","","0.0671","0.0809","","","","","","0.996","","","","has coordinates","263436","2021-03-30","08:21:00",""
"1561357","6.2477","0.0017","6.2509","0.0017","9.408","0.003","80.674","0.006","75.611","0.006","80.849","0.006","348.47","0.17","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- Cl1.5 Cu1.5 O1.5 Te0.5 -","- Cl1.5 Cu1.5 O1.5 Te0.5 -","- Cl6 Cu6 O6 Te2 -","4","2","","Markovski, Mishel R.; Siidra, Oleg I.; Kayukov, Roman A.; Nazarchuk, Evgeni W.","Porous layered and open-framework mixed-valence copper tellurites","Journal of Solid State Chemistry","2016","243","","215","220","10.1016/j.jssc.2016.08.028","","","0.71073","MoKα","","0.0505","0.043","","","0.1115","0.1159","","","","","","1.04","","","","has coordinates","263437","2021-03-30","08:48:37",""
"1561358","9.2877","0.0007","21.0328","0.0016","6.4213","0.0005","90","","90","","90","","1254.38","0.17","296","2","296","2","","","","","","","","4","P b a m","-P 2 2ab","55","","","","- Cl1.23 Cu1.9 O2.33 Te0.67 -","- Cl1.23333 Cu1.9 O2.33333 Te0.666667 -","- Cl14.8 Cu22.8 O28 Te8 -","12","1.5","","Markovski, Mishel R.; Siidra, Oleg I.; Kayukov, Roman A.; Nazarchuk, Evgeni W.","Porous layered and open-framework mixed-valence copper tellurites","Journal of Solid State Chemistry","2016","243","","215","220","10.1016/j.jssc.2016.08.028","","","0.71073","MoKα","","0.0985","0.0549","","","0.1326","0.1545","","","","","","1.029","","","","has coordinates","263437","2021-03-30","08:48:47",""
"1561359","7.605","0.002","11.825","0.003","9.849","0.003","90","","90.978","0.008","90","","885.6","0.4","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- Cu2 O18 Te7 Tl2 -","- Cu2 O18 Te7 Tl2 -","- Cu4 O36 Te14 Tl4 -","2","0.5","","Markovski, Mishel R.; Siidra, Oleg I.; Kayukov, Roman A.; Nazarchuk, Evgeni W.","Porous layered and open-framework mixed-valence copper tellurites","Journal of Solid State Chemistry","2016","243","","215","220","10.1016/j.jssc.2016.08.028","","","0.71073","MoKα","","0.0499","0.0307","","","0.0522","0.0577","","","","","","0.983","","","","has coordinates","263437","2021-03-30","08:48:59",""
"1561360","10.1772","0.0008","10.1772","0.0008","6.0648","0.0005","90","","90","","120","","544.01","0.08","296","2","296","2","","","","","","","","3","P 63","P 6c","173","lanthanum gallium sulfide (3/1.67/7)","lanthanum gallium sulfide (3/1.67/7)","","- Ga1.67 La3 S7 -","- Ga1.667 La3 S7 -","- Ga3.334 La6 S14 -","2","0.333333","","Iyer, Abishek K.; Yin, Wenlong; Rudyk, Brent W.; Lin, Xinsong; Nilges, Tom; Mar, Arthur","Metal ion displacements in noncentrosymmetric chalcogenides La3Ga1.67S7, La3Ag0.6GaCh7 (Ch=S, Se), and La3MGaSe7 (M=Zn, Cd)","Journal of Solid State Chemistry","2016","243","","221","231","10.1016/j.jssc.2016.08.031","","","0.71073","MoKα","","0.022","0.0204","","","0.0441","0.0448","","","","","","1.124","","","","has coordinates","263438","2021-03-30","08:54:49",""
"1561361","10.229","0.0008","10.229","0.0008","6.0529","0.0005","90","","90","","120","","548.48","0.08","296","2","296","2","","","","","","","","4","P 63","P 6c","173","lanthanum silver gallium sulphide (3/0.6/1/7)","lanthanum silver gallium sulphide (3/0.6/1/7)","","- Ag0.6 Ga La3 S7 -","- Ag0.6 Ga La3 S7 -","- Ag1.2 Ga2 La6 S14 -","2","0.333333","","Iyer, Abishek K.; Yin, Wenlong; Rudyk, Brent W.; Lin, Xinsong; Nilges, Tom; Mar, Arthur","Metal ion displacements in noncentrosymmetric chalcogenides La3Ga1.67S7, La3Ag0.6GaCh7 (Ch=S, Se), and La3MGaSe7 (M=Zn, Cd)","Journal of Solid State Chemistry","2016","243","","221","231","10.1016/j.jssc.2016.08.031","","","0.71073","MoKα","","0.0184","0.0175","","","0.0391","0.0397","","","","","","1.093","","","","has coordinates","263439","2021-03-30","08:56:29",""
"1561362","10.5879","0.0017","10.5879","0.0017","6.3766","0.001","90","","90","","120","","619.07","0.17","296","2","296","2","","","","","","","","4","P 63","P 6c","173","lanthanum silver gallium selenide (3/0.6/1/7)","lanthanum silver gallium selenide (3/0.6/1/7)","","- Ag0.6 Ga La3 Se7 -","- Ag0.6 Ga La3 Se7 -","- Ag1.2 Ga2 La6 Se14 -","2","0.333333","","Iyer, Abishek K.; Yin, Wenlong; Rudyk, Brent W.; Lin, Xinsong; Nilges, Tom; Mar, Arthur","Metal ion displacements in noncentrosymmetric chalcogenides La3Ga1.67S7, La3Ag0.6GaCh7 (Ch=S, Se), and La3MGaSe7 (M=Zn, Cd)","Journal of Solid State Chemistry","2016","243","","221","231","10.1016/j.jssc.2016.08.031","","","0.71073","MoKα","","0.0644","0.0438","","","0.1028","0.1103","","","","","","1.057","","","","has coordinates","263440","2021-03-30","08:58:04",""
"1561363","10.63","0.009","10.63","0.009","6.374","0.005","90","","90","","120","","623.7","0.9","296","2","296","2","","","","","","","","4","P 63","P 6c","173","lanthanum zinc gallium selenide (3/1/1/7)","lanthanum zinc gallium selenide (3/1/1/7)","","- Ga La3 Se7 Zn -","- Ga La3 Se7 Zn -","- Ga2 La6 Se14 Zn2 -","2","0.333333","","Iyer, Abishek K.; Yin, Wenlong; Rudyk, Brent W.; Lin, Xinsong; Nilges, Tom; Mar, Arthur","Metal ion displacements in noncentrosymmetric chalcogenides La3Ga1.67S7, La3Ag0.6GaCh7 (Ch=S, Se), and La3MGaSe7 (M=Zn, Cd)","Journal of Solid State Chemistry","2016","243","","221","231","10.1016/j.jssc.2016.08.031","","","0.71073","MoKα","","0.0505","0.0405","","","0.0937","0.0988","","","","","","1.083","","","","has coordinates","263441","2021-03-30","08:59:12",""
"1561364","10.606","0.005","10.606","0.005","6.38","0.003","90","","90","","120","","621.5","0.5","296","2","296","2","","","","","","","","4","P 63","P 6c","173","lanthanum cadmium gallium selenide (3/1/1/7)","lanthanum cadmium gallium selenide (3/1/1/7)","","- Cd Ga La3 Se7 -","- Cd Ga La3 Se7 -","- Cd2 Ga2 La6 Se14 -","2","0.333333","","Iyer, Abishek K.; Yin, Wenlong; Rudyk, Brent W.; Lin, Xinsong; Nilges, Tom; Mar, Arthur","Metal ion displacements in noncentrosymmetric chalcogenides La3Ga1.67S7, La3Ag0.6GaCh7 (Ch=S, Se), and La3MGaSe7 (M=Zn, Cd)","Journal of Solid State Chemistry","2016","243","","221","231","10.1016/j.jssc.2016.08.031","","","0.71073","MoKα","","0.0586","0.0458","","","0.127","0.1361","","","","","","1.075","","","","has coordinates","263442","2021-03-30","09:00:57",""
"1561365","9.6199","0.0009","14.7172","0.0014","18.3974","0.0018","90","","90","","90","","2604.7","0.4","293","2","293","2","","","","","","","","5","P b c m","-P 2c 2b","57","","","","- C23 H15 N3 O5 Zn -","- C23 H15 N3 O5 Zn -","- C92 H60 N12 O20 Zn4 -","4","0.5","","Jin, Jun-Cheng; Guo, Rui-Li; Zhang, Wen-Yan; Jiang, Chen; Wang, Yao-Yu","Luminescent microporous metal‒organic framework with functional Lewis basic sites on the pore surface: Quantifiable evaluation of luminescent sensing mechanisms towards Fe3+","Journal of Solid State Chemistry","2016","243","","253","258","10.1016/j.jssc.2016.05.021","","","0.71073","MoKα","","0.0823","0.0662","","","0.2153","0.2247","","","","","","1.111","","","","has coordinates,has disorder","263443","2021-03-30","09:04:41",""
"1561366","12.853","0.0005","12.853","0.0005","12.853","0.0005","90","","90","","90","","2123.31","0.14","293","2","293","2","","","","","","","","6","P 21 3","P 2ac 2ab 3","198","","","","- B3 Ba2 Cs2 Li3 O24 P6 -","- B3 Ba2 Cs2 Li3 O24 P6 -","- B12 Ba8 Cs8 Li12 O96 P24 -","4","0.333333","","Khan, Muhammad Ali; Li, Yan-Yan; Lin, Hua; Zhang, Li-Jun; Liu, Peng-Fei; Zhao, Hua-Jun; Duan, Rui-Huan; Wang, Jin-Qiu; Chen, Ling","Syntheses of six and twelve membered borophosphate ring structure with nonlinear optical activity","Journal of Solid State Chemistry","2016","243","","259","266","10.1016/j.jssc.2016.05.030","","","0.71073","MoKα","","0.0295","0.0292","","","0.0783","0.0785","","","","","","1.045","","","","has coordinates","263444","2021-03-30","09:09:25",""
"1561367","7.281","0.0018","7.281","0.0018","14.33","0.005","90","","90","","90","","759.7","0.4","293","2","293","2","","","","","","","","5","I -4 2 d","I -4 2bw","122","","","","- B Ba O8 P2 Rb -","- B Ba O8 P2 Rb -","- B4 Ba4 O32 P8 Rb4 -","4","0.25","","Khan, Muhammad Ali; Li, Yan-Yan; Lin, Hua; Zhang, Li-Jun; Liu, Peng-Fei; Zhao, Hua-Jun; Duan, Rui-Huan; Wang, Jin-Qiu; Chen, Ling","Syntheses of six and twelve membered borophosphate ring structure with nonlinear optical activity","Journal of Solid State Chemistry","2016","243","","259","266","10.1016/j.jssc.2016.05.030","","","0.71073","MoKα","","0.0206","0.0198","","","0.0499","0.0503","","","","","","1.242","","","","has coordinates","263444","2021-03-30","09:09:26",""
"1561368","6.34257","0.00004","6.34257","","6.34257","","90","","90","","90","","255.15","0.0016","","","","","","","","","","","","4","F -4 3 m","F -4 2 3","216","","","","- Cd0.5 Cu0.25 In0.25 Te -","- Cd0.5 Cu0.25 In0.25 Te -","- Cd2 Cu In Te4 -","4","0.0416667","","Nolas, George S.; Hassan, M. Shafiq; Dong, Yongkwan; Martin, Joshua","Synthesis, crystal structure and electrical properties of the tetrahedral quaternary chalcogenides CuM2InTe4 (M=Zn, Cd)","Journal of Solid State Chemistry","2016","242","","50","54","10.1016/j.jssc.2016.03.038","powder diffraction","x-ray","1.5406","Kα~1~","","","","","","","","0.03144","","1.78","","","","","","","has coordinates","263445","2021-03-30","09:23:08",""
"1561369","6.15203","0.00009","6.15203","","6.15203","","90","","90","","90","","232.839","0.003","","","","","","","","","","","","4","F -4 3 m","F -4 2 3","216","","","","- Cu0.25 In0.25 Te Zn0.5 -","- Cu0.25 In0.25 Te Zn0.5 -","- Cu In Te4 Zn2 -","4","0.0416667","","Nolas, George S.; Hassan, M. Shafiq; Dong, Yongkwan; Martin, Joshua","Synthesis, crystal structure and electrical properties of the tetrahedral quaternary chalcogenides CuM2InTe4 (M=Zn, Cd)","Journal of Solid State Chemistry","2016","242","","50","54","10.1016/j.jssc.2016.03.038","powder diffraction","x-ray","1.5406","Kα~1~","","","","","","","","0.02635","","2.05","","","","","","","has coordinates","263446","2021-03-30","09:24:16",""
"1561370","5.73157","0.00005","5.73157","","5.73157","","90","","90","","90","","188.287","0.0016","","","","","","","","","","","","4","F -4 3 m","F -4 2 3","216","","","","- Cu0.25 In0.25 Se Zn0.5 -","- Cu0.25 In0.25 Se Zn0.5 -","- Cu In Se4 Zn2 -","4","0.0416667","","Nolas, George S.; Hassan, M. Shafiq; Dong, Yongkwan; Martin, Joshua","Synthesis, crystal structure and electrical properties of the tetrahedral quaternary chalcogenides CuM2InTe4 (M=Zn, Cd)","Journal of Solid State Chemistry","2016","242","","50","54","10.1016/j.jssc.2016.03.038","powder diffraction","x-ray","1.5406","Kα~1~","","","","","","","","0.05108","","2.42","","","","","","","has coordinates","263447","2021-03-30","09:25:25",""
"1561371","16.591","0.0011","16.591","0.0011","21.9197","0.0014","90","","90","","90","","6033.6","0.7","90","2","90","2","","","","","","","","4","I 41/a c d :2","-I 4bd 2c","142","","","","- Mn Sb11 Y0.13 Yb13.87 -","- Mn Sb11 Y0.132 Yb13.868 -","- Mn8 Sb88 Y1.056 Yb110.944 -","8","0.25","","Grebenkemper, Jason H.; Klemenz, Sebastian; Albert, Barbara; Bux, Sabah K.; Kauzlarich, Susan M.","Effects of Sc and Y substitution on the structure and thermoelectric properties of Yb14MnSb11","Journal of Solid State Chemistry","2016","242","","55","61","10.1016/j.jssc.2016.03.015","","","0.71073","MoKα","","0.0249","0.0244","","","0.0536","0.0538","","","","","","1.355","","","","has coordinates","263448","2021-03-30","09:31:13",""
"1561372","16.5903","0.0008","16.5903","0.0008","21.9416","0.001","90","","90","","90","","6039.2","0.5","90","2","90","2","","","","","","","","4","I 41/a c d :2","-I 4bd 2c","142","","","","- Mn Sb11 Y0.53 Yb13.47 -","- Mn Sb11 Y0.526 Yb13.474 -","- Mn8 Sb88 Y4.208 Yb107.792 -","8","0.25","","Grebenkemper, Jason H.; Klemenz, Sebastian; Albert, Barbara; Bux, Sabah K.; Kauzlarich, Susan M.","Effects of Sc and Y substitution on the structure and thermoelectric properties of Yb14MnSb11","Journal of Solid State Chemistry","2016","242","","55","61","10.1016/j.jssc.2016.03.015","","","0.71073","MoKα","","0.0202","0.0197","","","0.0411","0.0413","","","","","","1.425","","","","has coordinates","263449","2021-03-30","09:31:28",""
"1561373","16.5624","0.0005","16.5624","0.0005","21.9118","0.0007","90","","90","","90","","6010.7","0.3","90","2","90","2","","","","","","","","4","I 41/a c d :2","-I 4bd 2c","142","","","","- Mn Sb11 Sc0.37 Yb13.63 -","- Mn Sb11 Sc0.366 Yb13.634 -","- Mn8 Sb88 Sc2.928 Yb109.072 -","8","0.25","","Grebenkemper, Jason H.; Klemenz, Sebastian; Albert, Barbara; Bux, Sabah K.; Kauzlarich, Susan M.","Effects of Sc and Y substitution on the structure and thermoelectric properties of Yb14MnSb11","Journal of Solid State Chemistry","2016","242","","55","61","10.1016/j.jssc.2016.03.015","","","0.71073","MoKα","","0.0346","0.0259","","","0.0543","0.0571","","","","","","1.097","","","","has coordinates","263450","2021-03-30","09:31:55",""
"1561374","7.309","0.0017","7.309","0.0017","16.542","0.004","90","","90","","120","","765.3","0.3","220","2","220","2","","","","","","","","5","R -3 m :H","-R 3 2""","166","","","","- Fe3 H6 Na O14 S2 -","- Fe3 H6 Na O14 S2 -","- Fe9 H18 Na3 O42 S6 -","3","0.0833333","","Sandineni, Prashanth; Yaghoobnejad Asl, Hooman; Choudhury, Amitava","Kagomé lattices as cathode: Effect of particle size and fluoride substitution on electrochemical lithium insertion in sodium- and ammonium Jarosites","Journal of Solid State Chemistry","2016","242","","78","86","10.1016/j.jssc.2016.02.022","","","0.71073","MoKα","","0.0211","0.0203","","","0.0547","0.0551","","","","","","1.291","","","","has coordinates","263451","2021-03-30","09:36:56",""
"1561375","7.317","0.002","7.317","0.002","17.619","0.005","90","","90","","120","","816.9","0.4","571","2","571","2","","","","","","","","5","R -3 m :H","-R 3 2""","166","","","","- Fe3 H10 N O14 S2 -","- Fe3 H6 N O14 S2 -","- Fe9 H18 N3 O42 S6 -","3","0.0833333","","Sandineni, Prashanth; Yaghoobnejad Asl, Hooman; Choudhury, Amitava","Kagomé lattices as cathode: Effect of particle size and fluoride substitution on electrochemical lithium insertion in sodium- and ammonium Jarosites","Journal of Solid State Chemistry","2016","242","","78","86","10.1016/j.jssc.2016.02.022","","","0.71073","MoKα","","0.0241","0.0237","","","0.0676","0.0686","","","","","","1.293","","","","has coordinates","263451","2021-03-30","09:36:57",""
"1561378","7.4879","0.0002","12.9612","0.0003","13.106","0.0004","90","","101.01","0.002","90","","1248.55","0.06","297","","297","","","","","","","","","3","C 1 2/m 1","-C 2y","12","","","","- Er0.341 Ga2.005 Pt0.75 -","- Er0.340967 Ga2.00488 Pt0.75 -","- Er8.1832 Ga48.1172 Pt18 -","24","3","","Oswald, Iain W.H.; Gourdon, Olivier; Bekins, Amy; Evans, Jess; Treadwell, LaRico J.; Chan, Julia Y.; Macaluso, Robin T.","Er1.33Pt3Ga8: A modulated variant of the Er4Pt9Al24-structure type","Journal of Solid State Chemistry","2016","242","","161","167","10.1016/j.jssc.2016.04.009","","x-ray","0.71073","MoKα","","0.0775","0.0475","","","0.0738","0.0774","","","","3.37","3.37","2.93","","","","has coordinates","263482","2021-03-31","08:24:02",""
"1561379","7.4879","0.0002","4.3204","0.0003","13.106","0.0004","90","","101.01","0.002","90","","416.18","0.03","297","","297","","","","","","","","","3","C 1 2/m 1","-C 2y","12","","","","- Er0.341 Ga2.005 Pt0.75 -","- Er0.34095 Ga2.00485 Pt0.75 -","- Er2.7276 Ga16.0388 Pt6 -","8","1","","Oswald, Iain W.H.; Gourdon, Olivier; Bekins, Amy; Evans, Jess; Treadwell, LaRico J.; Chan, Julia Y.; Macaluso, Robin T.","Er1.33Pt3Ga8: A modulated variant of the Er4Pt9Al24-structure type","Journal of Solid State Chemistry","2016","242","","161","167","10.1016/j.jssc.2016.04.009","","x-ray","0.71073","MoKα","","0.0258","0.0234","","","0.0284","0.029","","","","1.76","1.76","1.76","","","","has coordinates","263482","2021-03-31","08:24:06",""
"1561380","21.0818","0.0007","9.4766","0.0003","33.6467","0.001","90","","126.573","0.002","90","","5398.5","0.3","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C45 H43 Ba3 N4 O25 P3 -","- C45 H43 Ba3 N4 O25 P3 -","- C180 H172 Ba12 N16 O100 P12 -","4","1","","Ling, Yajing; Bai, Dongjie; Feng, Yunlong; He, Yabing","Alkaline earth-based coordination polymers derived from a cyclotriphosphazene-functionalized hexacarboxylate","Journal of Solid State Chemistry","2016","242","","47","54","10.1016/j.jssc.2016.07.016","","","0.71073","MoKα","","0.1303","0.0901","","","0.2189","0.2422","","","","","","1.081","","","","has coordinates,has disorder","263483","2021-03-31","08:34:23",""
"1561381","12.1364","0.0014","15.2512","0.0017","15.5919","0.0017","89.746","0.006","80.369","0.006","70.907","0.006","2684.9","0.5","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C48 H38 Ca3 N5 O20 P3 -","- C48 H38 Ca3 N5 O20 P3 -","- C96 H76 Ca6 N10 O40 P6 -","2","1","","Ling, Yajing; Bai, Dongjie; Feng, Yunlong; He, Yabing","Alkaline earth-based coordination polymers derived from a cyclotriphosphazene-functionalized hexacarboxylate","Journal of Solid State Chemistry","2016","242","","47","54","10.1016/j.jssc.2016.07.016","","","0.71073","MoKα","","0.0533","0.0475","","","0.1283","0.1331","","","","","","1.082","","","","has coordinates","263483","2021-03-31","08:34:23",""
"1561382","18.571","0.0013","18.571","0.0013","28.8779","0.0015","90","","90","","120","","8625.2","1","293","2","293","2","","","","","","","","6","P 63/m","-P 6c","176","","","","- C84 H60 Mg3 N6 O42 P6 -","- C84 H60 Mg3 N6 O42 P6 -","- C168 H120 Mg6 N12 O84 P12 -","2","0.166667","","Ling, Yajing; Bai, Dongjie; Feng, Yunlong; He, Yabing","Alkaline earth-based coordination polymers derived from a cyclotriphosphazene-functionalized hexacarboxylate","Journal of Solid State Chemistry","2016","242","","47","54","10.1016/j.jssc.2016.07.016","","","0.71073","MoKα","","0.1483","0.1047","","","0.2642","0.2971","","","","","","1.001","","","","has coordinates","263483","2021-03-31","08:34:24",""
"1561383","4.4233","0.0009","4.4233","0.0009","17.601","0.007","90","","90","","120","","298.24","0.15","295","2","295","2","","","","","","","","3","P 63/m m c","-P 6c 2c","194","","","","- Ca Ga1.14 Sn0.86 -","- Ca Ga1.14 Sn0.86 -","- Ca4 Ga4.56 Sn3.44 -","4","0.166667","","Tillard, Monique","A phase width for CaGaSn. Crystal structure of mixed intermetallic Ca4Ga4+xSn4−x and SmGaxSn3−x, stability, geometry and electronic structure","Journal of Solid State Chemistry","2016","242","","63","70","10.1016/j.jssc.2016.07.018","","","0.71069","MoKα","","0.0673","0.0419","","","0.1042","0.1142","","","","","","1.183","","","","has coordinates","263484","2021-03-31","08:41:12",""
"1561384","4.5778","0.0008","4.5778","0.0008","4.5778","0.0008","90","","90","","90","","95.93","0.03","293","2","293","2","","","","","","","","3","P m -3 m","-P 4 2 3","221","","","","- Ga Sm Sn2 -","- Ga1.002 Sm Sn1.998 -","- Ga1.002 Sm Sn1.998 -","1","0.0208333","","Tillard, Monique","A phase width for CaGaSn. Crystal structure of mixed intermetallic Ca4Ga4+xSn4−x and SmGaxSn3−x, stability, geometry and electronic structure","Journal of Solid State Chemistry","2016","242","","63","70","10.1016/j.jssc.2016.07.018","","","0.71073","MoKα","","0.0118","0.0084","","","0.0207","0.0212","","","","","","1.074","","","","has coordinates","263484","2021-03-31","08:41:21",""
"1561385","15.901","0.003","3.73","0.0001","11.035","0.004","90","","125.19","0.008","90","","534.9","0.2","296","1","296","1","","","","","","","","3","C 1 2/m 1","-C 2y","12","Iridium Lead Selenide","","","- Ir4 Pb Se8 -","- Ir4 Pb1.002 Se8 -","- Ir8 Pb2.004 Se16 -","2","0.25","","Trump, Benjamin A.; McQueen, Tyrel M.","Structure, properties, and disorder in the new distorted-Hollandite PbIr4Se8","Journal of Solid State Chemistry","2016","242","","112","119","10.1016/j.jssc.2016.07.005","","","1.5418","CuKα","","","","","","","","","","1.97","","","","","","","has coordinates","263485","2021-03-31","08:47:51",""
"1561386","10.4145","0.0005","15.5824","0.0007","6.0437","0.0003","90","","90","","90","","980.79","0.08","293","","293","","","","","","","","","3","F d d 2","F 2 -2d","43","","","","- Al Pd2 Sr2 -","- Al Pd2 Sr2 -","- Al8 Pd16 Sr16 -","8","0.5","","Stegemann, Frank; Benndorf, Christopher; Touzani, Rachid St.; Fokwa, Boniface P.T.; Janka, Oliver","Experimental and theoretical investigations of the polar intermetallics SrPt3Al2 and Sr2Pd2Al","Journal of Solid State Chemistry","2016","242","","143","150","10.1016/j.jssc.2016.07.019","","x-ray","0.71073","MoKα","","0.0262","0.0174","","","0.0279","0.0291","","","","1.03","1.03","0.98","","","","has coordinates","263486","2021-03-31","08:56:01",""
"1561387","5.6629","0.0003","5.6629","0.0003","3.8939","0.0003","90","","90","","120","","108.142","0.012","293","","293","","","","","","","","","3","P 6/m m m","-P 6 2","191","","","","- Al2 Pt3 Sr -","- Al2 Pt3 Sr -","- Al2 Pt3 Sr -","1","0.0416667","","Stegemann, Frank; Benndorf, Christopher; Touzani, Rachid St.; Fokwa, Boniface P.T.; Janka, Oliver","Experimental and theoretical investigations of the polar intermetallics SrPt3Al2 and Sr2Pd2Al","Journal of Solid State Chemistry","2016","242","","143","150","10.1016/j.jssc.2016.07.019","","x-ray","0.71073","MoKα","","0.0085","0.0085","","","0.0202","0.0202","","","","1.36","1.36","1.36","","","","has coordinates","263486","2021-03-31","08:56:01",""
"1561388","10.79501","0.00003","10.79501","0.00003","10.79501","0.00003","90","","90","","90","","1257.97","0.006","298","","298","","","","","","","","","4","P m -3 n","-P 4n 2 3","223","","","","- Cs3 Ge21 Na Zn2 -","- Cs3 Ge20.9999 Na Zn2.0001 -","- Cs6 Ge41.9998 Na2 Zn4.0002 -","2","0.0416667","","Zhang, Hui; Mu, Gang; Huang, Fuqiang; Xie, Xiaoming","Synthesis and structures of type-I clathrates: Rb6Na2Ge44.89(1), Cs6Na2Zn4Ge42 and Cs6.40(1)Na1.60(1)Ga8Ge38","Journal of Solid State Chemistry","2016","242","","155","161","10.1016/j.jssc.2016.07.024","powder diffraction","x-ray","1.54056","CuKα~1~","","0.0514","","","","","","","","0.39218","","","","","","","has coordinates","263487","2021-03-31","09:03:38",""
"1561389","10.79726","0.00005","10.79726","0.00005","10.79726","0.00005","90","","90","","90","","1258.75","0.01","298","","298","","","","","","","","","4","P m -3 n","-P 4n 2 3","223","","","","- Cs0.8 Ga Ge4.75 Na0.2 -","- Cs0.8 Ga1.0005 Ge4.7495 Na0.2 -","- Cs6.4 Ga8.004 Ge37.996 Na1.6 -","8","0.166667","","Zhang, Hui; Mu, Gang; Huang, Fuqiang; Xie, Xiaoming","Synthesis and structures of type-I clathrates: Rb6Na2Ge44.89(1), Cs6Na2Zn4Ge42 and Cs6.40(1)Na1.60(1)Ga8Ge38","Journal of Solid State Chemistry","2016","242","","155","161","10.1016/j.jssc.2016.07.024","powder diffraction","x-ray","1.54056","CuKα~1~","","0.0467","","","","","","","","0.38193","","","","","","","has coordinates","263487","2021-03-31","09:03:38",""
"1561390","10.72755","0.00005","10.72755","0.00005","10.72755","0.00005","90","","90","","90","","1234.53","0.01","298","","298","","","","","","","","","3","P m -3 n","-P 4n 2 3","223","","","","- Ge44.89 Na2 Rb6 -","- Ge44.89 Na2 Rb6 -","- Ge44.89 Na2 Rb6 -","1","0.0208333","","Zhang, Hui; Mu, Gang; Huang, Fuqiang; Xie, Xiaoming","Synthesis and structures of type-I clathrates: Rb6Na2Ge44.89(1), Cs6Na2Zn4Ge42 and Cs6.40(1)Na1.60(1)Ga8Ge38","Journal of Solid State Chemistry","2016","242","","155","161","10.1016/j.jssc.2016.07.024","powder diffraction","x-ray","1.54056","CuKα~1~","","0.0625","","","","","","","","0.35545","","","","","","","has coordinates","263487","2021-03-31","09:03:38",""
"1561391","13.67","0.03","14.79","0.03","18.72","0.03","90","","97.78","0.02","90","","3750","13","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C41 H26 Co2 N4 O10 -","- C41 H26 Co2 N4 O10 -","- C164 H104 Co8 N16 O40 -","4","1","","Zhou, Zhi-Hang; Han, Min-Le; Wu, Ya-Pan; Dong, Wen-Wen; Li, Dong-Sheng; Lu, Jack Y.","N-donor co-ligands driven two new Co(II)- coordination polymers with bi- and trinuclear units: Crystal structures, and magnetic properties","Journal of Solid State Chemistry","2016","242","","207","211","10.1016/j.jssc.2016.07.015","","","0.71073","MoKα","","0.1402","0.0995","","","0.23","0.2604","","","","","","1.059","","","","has coordinates","263488","2021-03-31","09:21:41",""
"1561392","11.545","0.004","20.225","0.006","14.39","0.004","90","","90.528","0.004","90","","3359.9","1.8","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C27 H27 Co3 N3 O15 -","- C29 H15 Co3 N3 O15 -","- C116 H60 Co12 N12 O60 -","4","1","","Zhou, Zhi-Hang; Han, Min-Le; Wu, Ya-Pan; Dong, Wen-Wen; Li, Dong-Sheng; Lu, Jack Y.","N-donor co-ligands driven two new Co(II)- coordination polymers with bi- and trinuclear units: Crystal structures, and magnetic properties","Journal of Solid State Chemistry","2016","242","","207","211","10.1016/j.jssc.2016.07.015","","","0.71073","MoKα","","0.0567","0.048","","","0.1345","0.1444","","","","","","1.112","","","","has coordinates","263488","2021-03-31","09:21:46",""
"1561393","27.4047","0.0003","5.4859","0.00007","42.7442","0.0004","90","","90","","90","","6426.14","0.12","293","","293","","","","","","","","","3","F m 2 m","F -2 -2","42","","","","- Fe6 O15.4 Sr5 -","- Fe6 O15.4 Sr5 -","- Fe120 O308 Sr100 -","20","1.25","","Lepoittevin, Christophe","Structure resolution by electron diffraction tomography of the complex layered iron-rich Fe-2234-type Sr5Fe6O15.4","Journal of Solid State Chemistry","2016","242","","228","235","10.1016/j.jssc.2016.08.004","powder diffraction","","1.54056","CuKα","","","","","","","","","18.4544","","","","","","","","has coordinates","263489","2021-03-31","09:33:52",""
"1561394","5.88617","0.00005","5.88617","0.00005","23.0542","0.0003","90","","90","","120","","691.745","0.012","293","","293","","","","","","","","","3","P 63/m m c","-P 6c 2c","194","","","","- Fe12 O19 Sr -","- Fe11.9998 O18.9996 Sr -","- Fe23.9995 O37.9992 Sr2 -","2","0.0833333","","Lepoittevin, Christophe","Structure resolution by electron diffraction tomography of the complex layered iron-rich Fe-2234-type Sr5Fe6O15.4","Journal of Solid State Chemistry","2016","242","","228","235","10.1016/j.jssc.2016.08.004","powder diffraction","","1.54056","CuKα","","","","","","","","","15.776","","","","","","","","has coordinates","263489","2021-03-31","09:33:53",""
"1561395","10.954","0.004","9.664","0.004","17.412","0.007","90","","97.711","0.005","90","","1826.6","1.2","293","2","293","2","","","","","","","","5","P 1 c 1","P -2yc","7","","","","- C43 H28 Ag2 N4 O10 -","- C43 H28 Ag2 N4 O10 -","- C86 H56 Ag4 N8 O20 -","2","1","","Wu, Xue-Qian; Wen, Guo-Xuan; Wu, Ya-Pan; Dong, Wen-Wen; Zhao, Jun; Li, Dong-Sheng","A novel 3D Ag(I)-MOF: Surfactant-directed syntheses and catalytic degradation of o/m/p-Nitrophenol","Journal of Solid State Chemistry","2016","242","","243","247","10.1016/j.jssc.2016.08.001","","","0.71073","MoKα","","0.0386","0.0346","","","0.0847","0.1001","","","","","","1.068","","","","has coordinates","263490","2021-03-31","09:40:35",""
"1561400","7.4389","0.0017","11.574","0.003","10.914","0.002","90","","90","","90","","939.7","0.4","293","2","293","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- F2 Mn2 O7 Rb2 V2 -","- F2 Mn2 O7 Rb2 V2 -","- F8 Mn8 O28 Rb8 V8 -","4","0.5","","Sanjeewa, Liurukara D.; McGuire, Michael A.; Smith Pellizzeri, Tiffany M.; McMillen, Colin D.; Ovidiu Garlea, V.; Willett, Daniel; Chumanov, George; Kolis, Joseph W.","Synthesis and characterization of new fluoride-containing manganese vanadates A2Mn2V2O7F2 (A=Rb, Cs) and Mn2VO4F","Journal of Solid State Chemistry","2016","241","","30","37","10.1016/j.jssc.2016.05.008","","","0.71073","MoKα","","0.0405","0.0379","","","0.0971","0.0996","","","","","","1.127","","","","has coordinates","263515","2021-04-01","07:57:22",""
"1561401","7.5615","0.0015","11.745","0.002","11.127","0.002","90","","90","","90","","988.2","0.3","293","2","293","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- Cs2 F2 Mn2 O7 V2 -","- Cs2 F2 Mn2 O7 V2 -","- Cs8 F8 Mn8 O28 V8 -","4","0.5","","Sanjeewa, Liurukara D.; McGuire, Michael A.; Smith Pellizzeri, Tiffany M.; McMillen, Colin D.; Ovidiu Garlea, V.; Willett, Daniel; Chumanov, George; Kolis, Joseph W.","Synthesis and characterization of new fluoride-containing manganese vanadates A2Mn2V2O7F2 (A=Rb, Cs) and Mn2VO4F","Journal of Solid State Chemistry","2016","241","","30","37","10.1016/j.jssc.2016.05.008","","","0.71073","MoKα","","0.033","0.0322","","","0.0802","0.0812","","","","","","1.157","","","","has coordinates","263516","2021-04-01","07:58:19",""
"1561402","13.559","0.002","6.8036","0.0007","10.1408","0.0013","90","","116.16","0.03","90","","839.7","0.3","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- F Mn2 O4 V -","- F Mn2 O4 V -","- F8 Mn16 O32 V8 -","8","1","","Sanjeewa, Liurukara D.; McGuire, Michael A.; Smith Pellizzeri, Tiffany M.; McMillen, Colin D.; Ovidiu Garlea, V.; Willett, Daniel; Chumanov, George; Kolis, Joseph W.","Synthesis and characterization of new fluoride-containing manganese vanadates A2Mn2V2O7F2 (A=Rb, Cs) and Mn2VO4F","Journal of Solid State Chemistry","2016","241","","30","37","10.1016/j.jssc.2016.05.008","","","0.71073","MoKα","","0.0295","0.0275","","","0.0681","0.0699","","","","","","1.092","","","","has coordinates","263517","2021-04-01","07:59:23",""
"1561403","10.39994","0.00015","10.39994","0.00015","10.39994","0.00015","90","","90","","90","","1124.84","0.03","100","2","100","2","","","","","","","","4","F -4 3 m","F -4 2 3","216","","","","- Cs Mo O6 Ta -","- Cs Mo O6 Ta -","- Cs8 Mo8 O48 Ta8 -","8","0.0833333","","Fukina, D.G.; Suleimanov, E.V.; Yavetskiy, R.P.; Fukin, G.K.; Boryakov, A.V.; Borisov, E.N.; Borisov, E.V.; Surodin, S.I.; Saharov, N.V.","Single crystal structure and SHG of defect pyrochlores CsBVMoO6 (BV=Nb,Ta)","Journal of Solid State Chemistry","2016","241","","64","69","10.1016/j.jssc.2016.06.011","","","0.71073","MoKα","","0.0393","0.0388","","","0.0967","0.0969","","","","","","1.256","","","","has coordinates,has disorder","263518","2021-04-01","08:09:33",""
"1561404","10.796","0.005","7.74","0.005","25.054","0.005","90","","98.129","0.005","90","","2072.5","1.7","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C36 H38 Co N8 O14 S2 -","- C36 H38 Co N8 O14 S2 -","- C72 H76 Co2 N16 O28 S4 -","2","0.5","","Wang, Jin-Hua; Zhang, E.; Tang, Gui-Mei; Wang, Yong-Tao; Cui, Yue-Zhi; Ng, Seik Weng","Novel bipyridinyl oxadiazole-based metal coordination complexes: High efficient and green synthesis of 3,4-dihydropyrimidin-2(1H)-ones through the Biginelli reactions","Journal of Solid State Chemistry","2016","241","","86","98","10.1016/j.jssc.2016.05.009","","","0.71069","MoKα","","0.0688","0.0451","","","0.1311","0.1556","","","","","","0.983","","","","has coordinates","263519","2021-04-01","08:14:52",""
"1561405","10.8166","0.0001","7.6265","0.0001","26.3035","0.0003","90","","96.626","0.001","90","","2155.36","0.04","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C36 H40 Co N10 O14 S2 -","- C36 H40 Co N10 O14 S2 -","- C72 H80 Co2 N20 O28 S4 -","2","0.5","","Wang, Jin-Hua; Zhang, E.; Tang, Gui-Mei; Wang, Yong-Tao; Cui, Yue-Zhi; Ng, Seik Weng","Novel bipyridinyl oxadiazole-based metal coordination complexes: High efficient and green synthesis of 3,4-dihydropyrimidin-2(1H)-ones through the Biginelli reactions","Journal of Solid State Chemistry","2016","241","","86","98","10.1016/j.jssc.2016.05.009","","","0.71073","MoKα","","0.0631","0.0421","","","0.11","0.1223","","","","","","1.024","","","","has coordinates","263519","2021-04-01","08:15:01",""
"1561406","11.069","0.001","7.813","0.001","26.77","0.003","90","","96.92","0.02","90","","2298.3","0.5","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C38 H42 Co N8 O14 S2 -","- C38 H42 Co N8 O14 S2 -","- C76 H84 Co2 N16 O28 S4 -","2","0.5","","Wang, Jin-Hua; Zhang, E.; Tang, Gui-Mei; Wang, Yong-Tao; Cui, Yue-Zhi; Ng, Seik Weng","Novel bipyridinyl oxadiazole-based metal coordination complexes: High efficient and green synthesis of 3,4-dihydropyrimidin-2(1H)-ones through the Biginelli reactions","Journal of Solid State Chemistry","2016","241","","86","98","10.1016/j.jssc.2016.05.009","","","0.71073","MoKα","","0.1201","0.0667","","","0.1866","0.2376","","","","","","1.037","","","","has coordinates","263519","2021-04-01","08:15:01",""
"1561407","25.6433","0.0008","13.3904","0.0004","15.1209","0.0005","90","","92.753","0.003","90","","5186.1","0.3","293","2","293","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C36 H31 Cd2.5 N5 O16.5 -","- C36 H31 Cd2.5 N5 O16.5 -","- C144 H124 Cd10 N20 O66 -","4","1","","Xu, Zhong-Xuan; Ao, Ke-Hou; Zhang, Jian","A pair of novel Cd(II) enantiomers based on lactate derivatives: Synthesis, crystal structures and properties","Journal of Solid State Chemistry","2016","241","","105","109","10.1016/j.jssc.2016.06.001","","","1.54178","CuKα","","0.0469","0.0434","","","0.1093","0.113","","","","","","1.058","","","","has coordinates","263520","2021-04-01","08:21:17",""
"1561408","25.7374","0.0004","13.3941","0.0002","15.1777","0.0003","90","","92.727","0.002","90","","5226.27","0.15","293.67","0.1","293.67","0.1","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C36 H31 Cd2.5 N5 O16.5 -","- C36 H31 Cd2.5 N5 O16.5 -","- C144 H124 Cd10 N20 O66 -","4","1","","Xu, Zhong-Xuan; Ao, Ke-Hou; Zhang, Jian","A pair of novel Cd(II) enantiomers based on lactate derivatives: Synthesis, crystal structures and properties","Journal of Solid State Chemistry","2016","241","","105","109","10.1016/j.jssc.2016.06.001","","","1.54178","CuKα","","0.0355","0.0349","","","0.0966","0.0977","","","","","","0.965","","","","has coordinates","263520","2021-04-01","08:21:17",""
"1561409","13.5468","0.0004","13.5468","0.0004","6.4915","0.0002","90","","90","","90","","1191.29","0.06","296","2","296","2","","","","","","","","4","P -4 21 c","P -4 2n","114","barium gallium germanium selenide (4/4/1/12)","barium gallium germanium selenide (4/4/1/12)","","- Ba4 Ga4 Ge Se12 -","- Ba4 Ga4 Ge Se12 -","- Ba8 Ga8 Ge2 Se24 -","2","0.25","","Yin, Wenlong; Iyer, Abishek K.; Li, Chao; Lin, Xinsong; Yao, Jiyong; Mar, Arthur","Noncentrosymmetric selenide Ba4Ga4GeSe12: Synthesis, structure, and optical properties","Journal of Solid State Chemistry","2016","241","","131","136","10.1016/j.jssc.2016.06.004","","","0.71073","MoKα","","0.0268","0.0231","","","0.0481","0.0493","","","","","","1.077","","","","has coordinates","263521","2021-04-01","08:30:17",""
"1561410","18.508","0.0017","18.508","0.0017","38.802","0.004","90","","90","","120","","11510.8","1.9","293","2","293","2","","","","","","","","5","R -3 m :H","-R 3 2""","166","","","","- C11 H3 Cu N0 O5.5 -","- C11 H3 Cu O5.5 -","- C198 H54 Cu18 O99 -","18","0.5","","Yin, Wenlong; Iyer, Abishek K.; Li, Chao; Lin, Xinsong; Yao, Jiyong; Mar, Arthur","Noncentrosymmetric selenide Ba4Ga4GeSe12: Synthesis, structure, and optical properties","Journal of Solid State Chemistry","2016","241","","131","136","10.1016/j.jssc.2016.06.004","","","0.71073","MoKα","","0.1082","0.0613","","","0.1663","0.1927","","","","","","1.01","","","","has coordinates","263522","2021-04-01","08:34:02",""
"1561411","6.33571","0.00012","6.8484","0.00017","6.6516","0.0003","90","","104.023","0.002","90","","280.008","0.016","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- Gd O4 P -","- Gd O4 P -","- Gd4 O16 P4 -","4","1","","Heffernan, Karina M.; Ross, Nancy L.; Spencer, Elinor C.; Boatner, Lynn A.","The structural response of gadolinium phosphate to pressure","Journal of Solid State Chemistry","2016","241","","180","186","10.1016/j.jssc.2016.06.009","","","0.71073","MoKα","","0.0518","0.0451","","","0.1016","0.1036","","","","","","1.073","","","","has coordinates","263523","2021-04-01","08:39:31",""
"1561412","6.2979","0.00012","6.80019","0.00019","6.5923","0.0002","90","","103.833","0.002","90","","274.139","0.013","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- Gd O4 P -","- Gd O4 P -","- Gd4 O16 P4 -","4","1","","Heffernan, Karina M.; Ross, Nancy L.; Spencer, Elinor C.; Boatner, Lynn A.","The structural response of gadolinium phosphate to pressure","Journal of Solid State Chemistry","2016","241","","180","186","10.1016/j.jssc.2016.06.009","","","0.71073","MoKα","","0.0524","0.0433","","","0.0958","0.0985","","","","","","1.026","","","","has coordinates","263523","2021-04-01","08:39:32",""
"1561413","6.2683","0.00011","6.7632","0.0002","6.5466","0.0002","90","","103.672","0.002","90","","269.671","0.013","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- Gd O4 P -","- Gd O4 P -","- Gd4 O16 P4 -","4","1","","Heffernan, Karina M.; Ross, Nancy L.; Spencer, Elinor C.; Boatner, Lynn A.","The structural response of gadolinium phosphate to pressure","Journal of Solid State Chemistry","2016","241","","180","186","10.1016/j.jssc.2016.06.009","","","0.71073","MoKα","","0.0502","0.0442","","","0.1079","0.11","","","","","","1.03","","","","has coordinates","263523","2021-04-01","08:39:32",""
"1561414","6.24937","0.00012","6.7397","0.0002","6.5189","0.0002","90","","103.563","0.002","90","","266.912","0.013","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- Gd O4 P -","- Gd O4 P -","- Gd4 O16 P4 -","4","1","","Heffernan, Karina M.; Ross, Nancy L.; Spencer, Elinor C.; Boatner, Lynn A.","The structural response of gadolinium phosphate to pressure","Journal of Solid State Chemistry","2016","241","","180","186","10.1016/j.jssc.2016.06.009","","","0.71073","MoKα","","0.0478","0.0418","","","0.0945","0.0982","","","","","","0.999","","","","has coordinates","263523","2021-04-01","08:39:32",""
"1561415","20.076","0.008","11.329","0.005","23.937","0.01","90","","95.272","0.006","90","","5421","4","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C58 H48 N4 O20 Zn2 -","- C58 H48 N4 O20 Zn2 -","- C232 H192 N16 O80 Zn8 -","4","0.5","","Hu, Dong-Cheng; Fan, Yan; Si, Chang-Dai; Wu, Ya-Jun; Dong, Xiu-Yan; Yang, Yun-Xia; Yao, Xiao-Qiang; Liu, Jia-Cheng","A series of Zn/Cd coordination polymers constructed from 1,4-naphthalenedicarboxylate and N-donor ligands: Syntheses, structures and luminescence sensing of Cr3+ in aqueous solutions","Journal of Solid State Chemistry","2016","241","","198","204","10.1016/j.jssc.2016.06.017","","","0.71073","MoKα","","0.0958","0.0596","","","0.1561","0.1792","","","","","","1.041","","","","has coordinates","263524","2021-04-01","08:47:08",""
"1561416","10.1759","0.0014","14.504","0.002","17.893","0.003","90","","104.019","0.002","90","","2562.2","0.7","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C31 H18 N2 O7 Zn -","- C31 H18 N2 O7 Zn -","- C124 H72 N8 O28 Zn4 -","4","1","","Hu, Dong-Cheng; Fan, Yan; Si, Chang-Dai; Wu, Ya-Jun; Dong, Xiu-Yan; Yang, Yun-Xia; Yao, Xiao-Qiang; Liu, Jia-Cheng","A series of Zn/Cd coordination polymers constructed from 1,4-naphthalenedicarboxylate and N-donor ligands: Syntheses, structures and luminescence sensing of Cr3+ in aqueous solutions","Journal of Solid State Chemistry","2016","241","","198","204","10.1016/j.jssc.2016.06.017","","","0.71073","MoKα","","0.0529","0.0375","","","0.0922","0.1001","","","","","","1.06","","","","has coordinates","263524","2021-04-01","08:47:09",""
"1561417","32.428","0.005","10.1069","0.0016","25.908","0.004","90","","123.781","0.002","90","","7057.7","1.9","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C68 H58 Cd3 N12 O14 -","- C68 H58 Cd3 N12 O14 -","- C272 H232 Cd12 N48 O56 -","4","0.5","","Hu, Dong-Cheng; Fan, Yan; Si, Chang-Dai; Wu, Ya-Jun; Dong, Xiu-Yan; Yang, Yun-Xia; Yao, Xiao-Qiang; Liu, Jia-Cheng","A series of Zn/Cd coordination polymers constructed from 1,4-naphthalenedicarboxylate and N-donor ligands: Syntheses, structures and luminescence sensing of Cr3+ in aqueous solutions","Journal of Solid State Chemistry","2016","241","","198","204","10.1016/j.jssc.2016.06.017","","","0.71073","MoKα","","0.0329","0.0292","","","0.0843","0.0873","","","","","","1.142","","","","has coordinates","263524","2021-04-01","08:47:11",""
"1561418","32.215","0.004","9.9935","0.0014","25.649","0.003","90","","124.5","0.002","90","","6805.2","1.5","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C68 H60 N12 O14 Zn3 -","- C68 H60 N12 O14 Zn3 -","- C272 H240 N48 O56 Zn12 -","4","0.5","","Hu, Dong-Cheng; Fan, Yan; Si, Chang-Dai; Wu, Ya-Jun; Dong, Xiu-Yan; Yang, Yun-Xia; Yao, Xiao-Qiang; Liu, Jia-Cheng","A series of Zn/Cd coordination polymers constructed from 1,4-naphthalenedicarboxylate and N-donor ligands: Syntheses, structures and luminescence sensing of Cr3+ in aqueous solutions","Journal of Solid State Chemistry","2016","241","","198","204","10.1016/j.jssc.2016.06.017","","","0.71073","MoKα","","0.0547","0.0386","","","0.0998","0.1063","","","","","","0.982","","","","has coordinates","263524","2021-04-01","08:47:21",""
"1561419","10.362","0.012","9.039","0.01","17.887","0.017","90","","115.79","0.05","90","","1508","3","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C13 H10 Cd N4 O4 S -","- C13 H10 Cd N4 O4 S -","- C52 H40 Cd4 N16 O16 S4 -","4","1","","Li, Zhao-Hao; Xue, Li-Ping; Miao, Shao-Bin; Zhao, Bang-Tun","Assembly of 4-, 6- and 8-connected Cd(II) pseudo-polymorphic coordination polymers: Synthesis, solvent-dependent structural variation and properties","Journal of Solid State Chemistry","2016","240","","9","15","10.1016/j.jssc.2016.05.005","","","0.71073","MoKα","","0.0981","0.0596","","","0.1064","0.12","","","","","","1.101","","","","has coordinates","263525","2021-04-01","08:53:56",""
"1561420","10.8492","0.0007","15.3928","0.001","19.6356","0.0013","90","","94.17","0.001","90","","3270.5","0.4","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C26 H20 Cd2 N8 O8 S2 -","- C26 H20 Cd2 N8 O8 S2 -","- C104 H80 Cd8 N32 O32 S8 -","4","1","","Li, Zhao-Hao; Xue, Li-Ping; Miao, Shao-Bin; Zhao, Bang-Tun","Assembly of 4-, 6- and 8-connected Cd(II) pseudo-polymorphic coordination polymers: Synthesis, solvent-dependent structural variation and properties","Journal of Solid State Chemistry","2016","240","","9","15","10.1016/j.jssc.2016.05.005","","","0.71073","MoKα","","0.0273","0.0241","","","0.077","0.0823","","","","","","1.147","","","","has coordinates","263525","2021-04-01","08:53:56",""
"1561421","9.5095","0.0014","19.84","0.003","21.035","0.003","90","","90","","90","","3968.6","1","296","2","296","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C16 H17 Cd N5 O5 S -","- C16 H17 Cd N5 O5 S -","- C128 H136 Cd8 N40 O40 S8 -","8","1","","Li, Zhao-Hao; Xue, Li-Ping; Miao, Shao-Bin; Zhao, Bang-Tun","Assembly of 4-, 6- and 8-connected Cd(II) pseudo-polymorphic coordination polymers: Synthesis, solvent-dependent structural variation and properties","Journal of Solid State Chemistry","2016","240","","9","15","10.1016/j.jssc.2016.05.005","","","0.71073","MoKα","","0.0546","0.0299","","","0.0637","0.0749","","","","","","0.998","","","","has coordinates","263525","2021-04-01","08:53:56",""
"1561422","5.3414","0.0002","5.3414","0.0002","11.7393","0.0006","90","","90","","90","","334.93","0.02","296","2","296","2","","","","","","","","4","I 41/a :2","-I 4ad","88","","","","- La0.52 Mo Na0.48 O4 -","- La0.516 Mo Na0.484 O4 -","- La2.064 Mo4 Na1.936 O16 -","4","0.25","","Cortese, Anthony J.; Abeysinghe, Dileka; Smith, Mark D.; zur Loye, Hans-Conrad","Single crystal growth and characterization of NaxLn1−xMoO4, Ln=La, Ce, Pr, Nd, Sm, and Eu (x=0.397‒0.499)","Journal of Solid State Chemistry","2016","240","","76","81","10.1016/j.jssc.2016.05.007","","","0.71073","MoKα","","0.0289","0.0271","","","0.0434","0.044","","","","","","1.396","","","","has coordinates","263526","2021-04-01","09:14:31",""
"1561423","5.3173","0.0002","5.3173","0.0002","11.6652","0.0006","90","","90","","90","","329.82","0.02","301","2","301","2","","","","","","","","4","I 41/a :2","-I 4ad","88","","","","- Ce0.51 Mo Na0.49 O4 -","- Ce0.5121 Mo Na0.4879 O4 -","- Ce2.0484 Mo4 Na1.9516 O16 -","4","0.25","","Cortese, Anthony J.; Abeysinghe, Dileka; Smith, Mark D.; zur Loye, Hans-Conrad","Single crystal growth and characterization of NaxLn1−xMoO4, Ln=La, Ce, Pr, Nd, Sm, and Eu (x=0.397‒0.499)","Journal of Solid State Chemistry","2016","240","","76","81","10.1016/j.jssc.2016.05.007","","","0.71073","MoKα","","0.0313","0.0222","","","0.0439","0.0473","","","","","","1.224","","","","has coordinates","263526","2021-04-01","09:14:41",""
"1561424","5.3009","0.00015","5.3009","0.00015","11.6089","0.0007","90","","90","","90","","326.2","0.02","301","2","301","2","","","","","","","","4","I 41/a :2","-I 4ad","88","","","","- Mo Na0.5 O4 Pr0.5 -","- Mo Na0.4984 O4 Pr0.5016 -","- Mo4 Na1.9936 O16 Pr2.0064 -","4","0.25","","Cortese, Anthony J.; Abeysinghe, Dileka; Smith, Mark D.; zur Loye, Hans-Conrad","Single crystal growth and characterization of NaxLn1−xMoO4, Ln=La, Ce, Pr, Nd, Sm, and Eu (x=0.397‒0.499)","Journal of Solid State Chemistry","2016","240","","76","81","10.1016/j.jssc.2016.05.007","","","0.71073","MoKα","","0.0309","0.0195","","","0.0491","0.054","","","","","","1.042","","","","has coordinates","263526","2021-04-01","09:14:44",""
"1561425","5.2854","0.0002","5.2854","0.0002","11.5675","0.0006","90","","90","","90","","323.14","0.02","296","2","296","2","","","","","","","","4","I 41/a :2","-I 4ad","88","","","","- Mo Na0.5 Nd0.5 O4 -","- Mo Na0.4989 Nd0.5011 O4 -","- Mo4 Na1.9956 Nd2.0044 O16 -","4","0.25","","Cortese, Anthony J.; Abeysinghe, Dileka; Smith, Mark D.; zur Loye, Hans-Conrad","Single crystal growth and characterization of NaxLn1−xMoO4, Ln=La, Ce, Pr, Nd, Sm, and Eu (x=0.397‒0.499)","Journal of Solid State Chemistry","2016","240","","76","81","10.1016/j.jssc.2016.05.007","","","0.71073","MoKα","","0.0224","0.0185","","","0.0474","0.0498","","","","","","1.118","","","","has coordinates","263526","2021-04-01","09:14:44",""
"1561426","5.256","0.0002","5.256","0.0002","11.4921","0.0006","90","","90","","90","","317.48","0.02","296","2","296","2","","","","","","","","4","I 41/a :2","-I 4ad","88","","","","- Mo Na0.49 O4 Sm0.51 -","- Mo Na0.4908 O4 Sm0.5092 -","- Mo4 Na1.9632 O16 Sm2.0368 -","4","0.25","","Cortese, Anthony J.; Abeysinghe, Dileka; Smith, Mark D.; zur Loye, Hans-Conrad","Single crystal growth and characterization of NaxLn1−xMoO4, Ln=La, Ce, Pr, Nd, Sm, and Eu (x=0.397‒0.499)","Journal of Solid State Chemistry","2016","240","","76","81","10.1016/j.jssc.2016.05.007","","","0.71073","MoKα","","0.0312","0.0252","","","0.0664","0.0713","","","","","","1.212","","","","has coordinates","263526","2021-04-01","09:14:44",""
"1561427","5.2797","0.0002","5.2797","0.0002","11.5869","0.0007","90","","90","","90","","322.99","0.03","296","2","296","2","","","","","","","","4","I 41/a :2","-I 4ad","88","","","","- Eu0.6 Mo Na0.4 O4 -","- Eu0.6028 Mo Na0.3972 O4 -","- Eu2.4112 Mo4 Na1.5888 O16 -","4","0.25","","Cortese, Anthony J.; Abeysinghe, Dileka; Smith, Mark D.; zur Loye, Hans-Conrad","Single crystal growth and characterization of NaxLn1−xMoO4, Ln=La, Ce, Pr, Nd, Sm, and Eu (x=0.397‒0.499)","Journal of Solid State Chemistry","2016","240","","76","81","10.1016/j.jssc.2016.05.007","","","0.71073","MoKα","","0.023","0.0161","","","0.0334","0.0353","","","","","","1.158","","","","has coordinates","263526","2021-04-01","09:14:44",""
"1561428","7.4085","0.001","15.002","0.002","17.9311","0.0019","90","","107.583","0.005","90","","1899.8","0.4","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H15 N2 O7 Zn -","- C20 H15 N2 O7 Zn -","- C80 H60 N8 O28 Zn4 -","4","1","","Gao, Yan-Peng; Guo, Le; Dong, Wei; Jia, Min; Zhang, Jing-Xue; Sun, Zhong; Chang, Fei","Syntheses, structures and photoluminescent properties of Zn(Ⅱ)/Co(Ⅱ) coordination polymers based on flexible tetracarboxylate ligand of 5,5′-(butane-1,4-diyl)-bis(oxy)-di isophthalic acid","Journal of Solid State Chemistry","2016","240","","82","90","10.1016/j.jssc.2016.05.023","","","0.71073","MoKα","","0.091","0.0715","","","0.2147","0.2298","","","","","","1.046","","","","has coordinates","263527","2021-04-01","09:18:13",""
"1561429","8.045","0.004","17.549","0.008","18.014","0.007","90","","108.093","0.018","90","","2417.5","1.9","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","compound2","","","- C20 H21 N4 O9 Zn -","- C20 H21 N4 O9 Zn -","- C80 H84 N16 O36 Zn4 -","4","1","","Gao, Yan-Peng; Guo, Le; Dong, Wei; Jia, Min; Zhang, Jing-Xue; Sun, Zhong; Chang, Fei","Syntheses, structures and photoluminescent properties of Zn(Ⅱ)/Co(Ⅱ) coordination polymers based on flexible tetracarboxylate ligand of 5,5′-(butane-1,4-diyl)-bis(oxy)-di isophthalic acid","Journal of Solid State Chemistry","2016","240","","82","90","10.1016/j.jssc.2016.05.023","","","0.71073","MoKα","","0.1035","0.082","","","0.2289","0.2466","","","","","","1.045","","","","has coordinates","263527","2021-04-01","09:18:13",""
"1561430","8.0319","0.0008","17.9407","0.0019","17.9318","0.0017","90","","108.644","0.004","90","","2448.3","0.4","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","compound3","","","- C20 H21 Co N4 O9 -","- C20 H21 Co N4 O9 -","- C80 H84 Co4 N16 O36 -","4","1","","Gao, Yan-Peng; Guo, Le; Dong, Wei; Jia, Min; Zhang, Jing-Xue; Sun, Zhong; Chang, Fei","Syntheses, structures and photoluminescent properties of Zn(Ⅱ)/Co(Ⅱ) coordination polymers based on flexible tetracarboxylate ligand of 5,5′-(butane-1,4-diyl)-bis(oxy)-di isophthalic acid","Journal of Solid State Chemistry","2016","240","","82","90","10.1016/j.jssc.2016.05.023","","","0.71073","MoKα","","0.1077","0.0903","","","0.2549","0.2806","","","","","","1.067","","","","has coordinates","263527","2021-04-01","09:18:13",""
"1561431","10.7098","0.001","14.7837","0.001","6.6845","0.0007","90","","105.545","0.009","90","","1019.65","0.16","293","2","293","2","","","","","","","","4","C 1 2/m 1","-C 2y","12","","","","- As6 Co7 Na4 O24 -","- As6 Co7 Na4 O24 -","- As12 Co14 Na8 O48 -","2","0.25","","Ben Smida, Youssef; Marzouki, Riadh; Georges, Samuel; Kutteh, Ramzi; Avdeev, Maxim; Guesmi, Abderrahmen; Zid, Mohamed Faouzi","Synthesis, crystal structure, electrical properties, and sodium transport pathways of the new arsenate Na4Co7(AsO4)6","Journal of Solid State Chemistry","2016","239","","8","16","10.1016/j.jssc.2016.04.005","","","0.71073","MoKα","","0.0241","0.0203","","","0.0497","0.051","","","","","","1.12","","","","has coordinates","263528","2021-04-01","09:24:13",""
"1561432","21.2969","0.0018","37.398","0.003","28.267","0.002","90","","109.732","0.001","90","","21192","3","291","2","291","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C84 H56 N6 O10 Zn2 -","- C84 H56 N6 O10 Zn2 -","- C672 H448 N48 O80 Zn16 -","8","1","","Qin, Ling; Qiao, Wen-Cheng; Zuo, Wei-Juan; Zeng, Si-Ying; Mei, Cao; Liu, Chang-Jiang","Two Zn coordination polymers with meso-helical chains based on mononuclear or dinuclear cluster units","Journal of Solid State Chemistry","2016","239","","53","57","10.1016/j.jssc.2016.04.021","","","0.71073","MoKα","","0.063","0.05","","","0.1329","0.1344","","","","","","1.002","","","","has coordinates","263529","2021-04-01","09:30:58",""
"1561433","8.9575","0.0008","19.685","0.0018","25.063","0.002","90","","96.015","0.002","90","","4395","0.7","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C51 H39 N4 O5 Zn -","- C51 H39 N4 O5 Zn -","- C204 H156 N16 O20 Zn4 -","4","1","","Qin, Ling; Qiao, Wen-Cheng; Zuo, Wei-Juan; Zeng, Si-Ying; Mei, Cao; Liu, Chang-Jiang","Two Zn coordination polymers with meso-helical chains based on mononuclear or dinuclear cluster units","Journal of Solid State Chemistry","2016","239","","53","57","10.1016/j.jssc.2016.04.021","","","0.71073","MoKα","","0.1016","0.0741","","","0.2112","0.2298","","","","","","1.066","","","","has coordinates,has disorder","263529","2021-04-01","09:31:01",""
"1561434","16.293","0.002","16.709","0.002","17.586","0.002","90","","92.956","0.002","90","","4781.2","1","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C56 H40 N6 -","- C56 H40 N6 -","- C224 H160 N24 -","4","1","","Qin, Ling; Qiao, Wen-Cheng; Zuo, Wei-Juan; Zeng, Si-Ying; Mei, Cao; Liu, Chang-Jiang","Two Zn coordination polymers with meso-helical chains based on mononuclear or dinuclear cluster units","Journal of Solid State Chemistry","2016","239","","53","57","10.1016/j.jssc.2016.04.021","","","0.71073","MoKα","","0.1319","0.0669","","","0.1603","0.1837","","","","","","1.03","","","","has coordinates","263529","2021-04-01","09:31:01",""
"1561435","11.937","0.0004","11.937","0.0004","6.8073","0.0004","90","","90","","120","","840.03","0.06","293","2","295.15","","","","","","","","","3","R -3 c :H","-R 3 2""c","167","","","","- B3 Eu3 N6 -","- B3 Eu3 N6 -","- B18 Eu18 N36 -","6","0.166667","","Aydemir, Umut; Kokal, Ilkin; Prots, Yurii; Förster, Tobias; Sichelschmidt, Jörg; Schappacher, Falko M.; Pöttgen, Rainer; Ormeci, Alim; Somer, Mehmet","A novel europium (III) nitridoborate Eu3[B3N6]: Synthesis, crystal structure, magnetic properties, and Raman spectra","Journal of Solid State Chemistry","2016","239","","75","83","10.1016/j.jssc.2016.04.016","","","0.56087","AgKα","","0.04","0.038","","","0.1","0.102","","","","","","1.153","","","","has coordinates","263530","2021-04-01","09:39:35",""
"1561436","10.6427","0.0007","14.3732","0.0011","18.2143","0.0013","90","","90","","90","","2786.2","0.3","296","2","296","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C20 H20 I3 N5 O6 Zn -","- C20 H20 I3 N5 O6 Zn -","- C80 H80 I12 N20 O24 Zn4 -","4","1","","He, Tian; Yue, Ke-Fen; Zhao, Yi-xing; Chen, San-Ping; Zhou, Chun-sheng; Yan, Ni","Crystal structures and thermodynamics/kinetics of Zn(II) coordination polymers with helical chains","Journal of Solid State Chemistry","2016","239","","113","120","10.1016/j.jssc.2016.04.022","","","0.71073","MoKα","","0.0482","0.0383","","","0.1091","0.1193","","","","","","0.804","","","","has coordinates","263531","2021-04-01","09:45:36",""
"1561437","8.557","0.002","15.121","0.004","10.374","0.003","90","","90.834","0.005","90","","1342.2","0.6","296","2","296","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C20 H20 Br3 N5 O5 Zn -","- C20 H20 Br3 N5 O5 Zn -","- C40 H40 Br6 N10 O10 Zn2 -","2","1","","He, Tian; Yue, Ke-Fen; Zhao, Yi-xing; Chen, San-Ping; Zhou, Chun-sheng; Yan, Ni","Crystal structures and thermodynamics/kinetics of Zn(II) coordination polymers with helical chains","Journal of Solid State Chemistry","2016","239","","113","120","10.1016/j.jssc.2016.04.022","","","0.71073","MoKα","","0.1371","0.0754","","","0.166","0.2134","","","","","","0.963","","","","has coordinates","263531","2021-04-01","09:45:36",""
"1561438","8.1609","0.0007","19.9271","0.0018","12.3036","0.0011","90","","103.775","0.002","90","","1943.3","0.3","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C16 H22 N4 O4 S Zn -","- C16 H22 N4 O4 S Zn -","- C64 H88 N16 O16 S4 Zn4 -","4","1","","He, Tian; Yue, Ke-Fen; Zhao, Yi-xing; Chen, San-Ping; Zhou, Chun-sheng; Yan, Ni","Crystal structures and thermodynamics/kinetics of Zn(II) coordination polymers with helical chains","Journal of Solid State Chemistry","2016","239","","113","120","10.1016/j.jssc.2016.04.022","","","0.71073","MoKα","","0.1139","0.0527","","","0.1284","0.174","","","","","","0.845","","","","has coordinates","263531","2021-04-01","09:45:36",""
"1561439","17.5681","0.0015","9.664","0.0009","16.0081","0.0014","90","","90","","90","","2717.8","0.4","296","2","296","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C26 H36 N4 O5 Zn -","- C26 H28 N4 O5 Zn -","- C104 H112 N16 O20 Zn4 -","4","1","","He, Tian; Yue, Ke-Fen; Zhao, Yi-xing; Chen, San-Ping; Zhou, Chun-sheng; Yan, Ni","Crystal structures and thermodynamics/kinetics of Zn(II) coordination polymers with helical chains","Journal of Solid State Chemistry","2016","239","","113","120","10.1016/j.jssc.2016.04.022","","","0.71073","MoKα","","0.1037","0.0657","","","0.165","0.1906","","","","","","1.033","","","","has coordinates","263531","2021-04-01","09:45:37",""
"1561453","21.65","0.02","12.051","0.01","14.5","0.02","90","","96.61","0.02","90","","3758","7","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C22 H14 Cl N3 O2 Zn -","- C22 H14 Cl N3 O2 Zn -","- C176 H112 Cl8 N24 O16 Zn8 -","8","1","","Cheng, Yue; Yang, Meng-Lin; Hu, Huai-Ming; Xu, Bing; Wang, Xiaofang; Xue, Ganglin","Syntheses, structures and luminescence for zinc coordination polymers based on a multifunctional 4′-(3-carboxyphenyl)- 3,2′:6′,3″-terpyridine ligand","Journal of Solid State Chemistry","2016","239","","121","130","10.1016/j.jssc.2016.04.002","","","0.71073","MoKα","","0.1668","0.0824","","","0.175","0.221","","","","","","0.939","","","","has coordinates","263546","2021-04-02","08:55:30",""
"1561454","8.347","0.006","12.484","0.009","14.322","0.014","64.576","0.013","87.104","0.019","72.392","0.015","1279.3","1.8","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H19 N3 O7.5 Zn2 -","- C30 H19 N3 O7.5 Zn2 -","- C60 H38 N6 O15 Zn4 -","2","1","","Cheng, Yue; Yang, Meng-Lin; Hu, Huai-Ming; Xu, Bing; Wang, Xiaofang; Xue, Ganglin","Syntheses, structures and luminescence for zinc coordination polymers based on a multifunctional 4′-(3-carboxyphenyl)- 3,2′:6′,3″-terpyridine ligand","Journal of Solid State Chemistry","2016","239","","121","130","10.1016/j.jssc.2016.04.002","","","0.71073","MoKα","","0.2074","0.0846","","","0.1688","0.2274","","","","","","0.918","","","","has coordinates","263546","2021-04-02","08:55:31",""
"1561455","9.956","0.002","11.857","0.003","12.554","0.003","73.596","0.004","87.659","0.004","72.337","0.004","1353","0.5","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H21 N3 O8 Zn2 -","- C30 H21 N3 O8 Zn2 -","- C60 H42 N6 O16 Zn4 -","2","1","","Cheng, Yue; Yang, Meng-Lin; Hu, Huai-Ming; Xu, Bing; Wang, Xiaofang; Xue, Ganglin","Syntheses, structures and luminescence for zinc coordination polymers based on a multifunctional 4′-(3-carboxyphenyl)- 3,2′:6′,3″-terpyridine ligand","Journal of Solid State Chemistry","2016","239","","121","130","10.1016/j.jssc.2016.04.002","","","0.71073","MoKα","","0.1168","0.0564","","","0.0907","0.113","","","","","","0.948","","","","has coordinates","263546","2021-04-02","08:55:32",""
"1561456","14.585","0.006","12.639","0.005","26.214","0.01","90","","104.592","0.008","90","","4676","3","296","2","296","2","","","","","","","","5","P 1 2/n 1","-P 2yac","13","","","","- C104 H76 N12 O22 Zn4 -","- C104 H76 N12 O22 Zn4 -","- C208 H152 N24 O44 Zn8 -","2","0.5","","Cheng, Yue; Yang, Meng-Lin; Hu, Huai-Ming; Xu, Bing; Wang, Xiaofang; Xue, Ganglin","Syntheses, structures and luminescence for zinc coordination polymers based on a multifunctional 4′-(3-carboxyphenyl)- 3,2′:6′,3″-terpyridine ligand","Journal of Solid State Chemistry","2016","239","","121","130","10.1016/j.jssc.2016.04.002","","","0.71073","MoKα","","0.1925","0.0688","","","0.113","0.1588","","","","","","0.929","","","","has coordinates","263546","2021-04-02","08:55:32",""
"1561457","10.207","0.002","11.967","0.003","12.771","0.003","106.361","0.004","92.044","0.004","111.717","0.005","1373.3","0.5","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C31 H19 N3 O9 Zn2 -","- C31 H19 N3 O9 Zn2 -","- C62 H38 N6 O18 Zn4 -","2","1","","Cheng, Yue; Yang, Meng-Lin; Hu, Huai-Ming; Xu, Bing; Wang, Xiaofang; Xue, Ganglin","Syntheses, structures and luminescence for zinc coordination polymers based on a multifunctional 4′-(3-carboxyphenyl)- 3,2′:6′,3″-terpyridine ligand","Journal of Solid State Chemistry","2016","239","","121","130","10.1016/j.jssc.2016.04.002","","","0.71073","MoKα","","0.114","0.0624","","","0.1564","0.1886","","","","","","0.972","","","","has coordinates","263546","2021-04-02","08:55:32",""
"1561458","7.3781","0.0015","7.9622","0.0016","10.404","0.002","103.9","0.03","95.5","0.03","113.37","0.03","531.9","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C7 H7 N O8 U -","- C7 H7 N O8 U -","- C14 H14 N2 O16 U2 -","2","1","","Si, Zhen-Xiu; Xu, Wei; Zheng, Yue-Qing","Synthesis, structure, luminescence and photocatalytic properties of an uranyl-2,5-pyridinedicarboxylate coordination polymer","Journal of Solid State Chemistry","2016","239","","139","144","10.1016/j.jssc.2016.04.024","","","0.71073","MoKα","","0.0458","0.0422","","","0.0963","0.1074","","","","","","1.045","","","","has coordinates","263547","2021-04-02","08:58:32",""
"1561459","14.1804","0.0002","10.4935","0.0001","7.1722","0.0008","90","","90","","90","","1067.24","0.12","298","","298","","","","","","","","","6","P n a 21","P 2c -2n","33","VO[Fe(CN)5NO]2H2O","","","- C5 H4 Fe N6 O4 V -","- C5 Fe N6 O4 V -","- C20 Fe4 N24 O16 V4 -","4","1","","Gil, D.M.; Osiry, H.; Pomiro, F.; Varetti, E.L.; Carbonio, R.E.; Alejandro, R.R.; Ben Altabef, A.; Reguera, E.","Layered vanadyl (IV) nitroprusside: Magnetic interaction through a network of hydrogen bonds","Journal of Solid State Chemistry","2016","239","","159","164","10.1016/j.jssc.2016.04.025","powder diffraction","","1.5406","CuKα","","","0.0922","","","","0.127","","9.641","1.532","","","","","","","has coordinates","263548","2021-04-02","09:03:08",""
"1561460","5.67001","0.00006","8.01565","0.00008","5.68649","0.00006","90","","90","","90","","258.444","0.005","90","","90","","","","","","","","","3","I m m a","-I 2b 2","74","","","","- Eu Nb O3 -","- Eu Nb O3 -","- Eu4 Nb4 O12 -","4","0.25","","Kususe, Yoshiro; Yoshida, Suguru; Fujita, Koji; Akamatsu, Hirofumi; Fukuzumi, Masafumi; Murai, Shunsuke; Tanaka, Katsuhisa","Structural phase transitions in EuNbO3 perovskite","Journal of Solid State Chemistry","2016","239","","192","199","10.1016/j.jssc.2016.04.032","powder diffraction","","0.79915","","","0.0184","","","","","","0.01946","0.02325","1.1491","","","","","","","has coordinates","263549","2021-04-02","09:15:32",""
"1561461","5.68182","0.00005","8.03133","0.00007","5.6921","0.00005","90","","90","","90","","259.745","0.004","300","","300","","","","","","","","","3","I m m a","-I 2b 2","74","","","","- Eu Nb O3 -","- Eu Nb O3 -","- Eu4 Nb4 O12 -","4","0.25","","Kususe, Yoshiro; Yoshida, Suguru; Fujita, Koji; Akamatsu, Hirofumi; Fukuzumi, Masafumi; Murai, Shunsuke; Tanaka, Katsuhisa","Structural phase transitions in EuNbO3 perovskite","Journal of Solid State Chemistry","2016","239","","192","199","10.1016/j.jssc.2016.04.032","powder diffraction","","0.79924","","","0.02139","","","","","","0.03914","0.01731","1.0006","","","","","","","has coordinates","263549","2021-04-02","09:15:32",""
"1561462","5.6869","0.00005","5.6869","0.00005","8.0514","0.00009","90","","90","","90","","260.389","0.004","400","","400","","","","","","","","","3","I 4/m c m","-I 4 2c","140","","","","- Eu Nb O3 -","- Eu Nb O3 -","- Eu4 Nb4 O12 -","4","0.125","","Kususe, Yoshiro; Yoshida, Suguru; Fujita, Koji; Akamatsu, Hirofumi; Fukuzumi, Masafumi; Murai, Shunsuke; Tanaka, Katsuhisa","Structural phase transitions in EuNbO3 perovskite","Journal of Solid State Chemistry","2016","239","","192","199","10.1016/j.jssc.2016.04.032","powder diffraction","","0.79915","","","0.02541","","","","","","0.0754","0.02047","1.0943","","","","","","","has coordinates","263549","2021-04-02","09:15:33",""
"1561463","4.02753","0.00003","4.02753","0.00003","4.02753","0.00003","90","","90","","90","","65.3306","0.0008","500","","500","","","","","","","","","3","P m -3 m","-P 4 2 3","221","","","","- Eu Nb O3 -","- Eu Nb O3 -","- Eu Nb O3 -","1","0.0208333","","Kususe, Yoshiro; Yoshida, Suguru; Fujita, Koji; Akamatsu, Hirofumi; Fukuzumi, Masafumi; Murai, Shunsuke; Tanaka, Katsuhisa","Structural phase transitions in EuNbO3 perovskite","Journal of Solid State Chemistry","2016","239","","192","199","10.1016/j.jssc.2016.04.032","powder diffraction","","0.79915","","","0.02452","","","","","","0.04665","0.02161","1.1485","","","","","","","has coordinates","263549","2021-04-02","09:15:33",""
"1561464","12.1173","0.0004","12.1173","0.0004","5.6795","0.0002","90","","90","","90","","833.92","0.05","300","2","300","2","","","","","","","","5","I -4","I -4","82","","","","- F Ge4 Na5 O16 Pr4 -","- F Ge4 Na5 O16 Pr4 -","- F2 Ge8 Na10 O32 Pr8 -","2","0.25","","Latshaw, Allison M.; Wilkins, Branford O.; Morrison, Gregory; Smith, Mark D.; zur Loye, Hans-Conrad","A5RE4X[TO4]4 crystal growth: Fluoride flux synthesis of Na5Ln4F[GeO4]4 (Ln=Pr, Nd), the first quaternary germanate oxyfluorides","Journal of Solid State Chemistry","2016","239","","200","203","10.1016/j.jssc.2016.04.038","","","0.71073","MoKα","","0.0128","0.0116","","","0.0209","0.021","","","","","","1.07","","","","has coordinates","263550","2021-04-02","09:20:42",""
"1561465","12.0642","0.0017","12.0642","0.0017","5.6674","0.0011","90","","90","","90","","824.9","0.2","293","2","293","2","","","","","","","","5","I -4","I -4","82","","","","- F Ge4 Na5 Nd4 O16 -","- F Ge4 Na5 Nd4 O16 -","- F2 Ge8 Na10 Nd8 O32 -","2","0.25","","Latshaw, Allison M.; Wilkins, Branford O.; Morrison, Gregory; Smith, Mark D.; zur Loye, Hans-Conrad","A5RE4X[TO4]4 crystal growth: Fluoride flux synthesis of Na5Ln4F[GeO4]4 (Ln=Pr, Nd), the first quaternary germanate oxyfluorides","Journal of Solid State Chemistry","2016","239","","200","203","10.1016/j.jssc.2016.04.038","","","0.71073","MoKα","","0.0212","0.0209","","","0.0559","0.0561","","","","","","1.105","","","","has coordinates","263550","2021-04-02","09:20:51",""
"1561466","12.439","0.003","11.841","0.002","21.484","0.004","90","","104.33","0.03","90","","3065.9","1.1","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H18 Bi2 N4 O18 -","- C28 H18 Bi2 N4 O18 -","- C112 H72 Bi8 N16 O72 -","4","1","","Huang, Ya-Jing; Zheng, Yue-Qing; Zhu, Hong-Lin; Wang, Jin-Jian","Hydrothermal synthesis of Bismuth(III) coordination polymer and its transformation to nano α-Bi2O3 for photocatalytic degradation","Journal of Solid State Chemistry","2016","239","","274","281","10.1016/j.jssc.2016.05.006","","","0.71073","MoKα","","0.0536","0.0403","","","0.0845","0.1064","","","","","","1.111","","","","has coordinates","263551","2021-04-02","09:29:19",""
"1561467","7.6436","0.0004","25.0112","0.001","13.0248","0.0006","90","","95.708","0.004","90","","2477.7","0.2","293","2","293","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C20 H16 N4 Ni O10 Se2 V2 -","- C20 H16 N4 Ni O10 Se2 V2 -","- C80 H64 N16 Ni4 O40 Se8 V8 -","4","1","","Qian, Cheng; Kong, Fang; Mao, Jiang-Gao","Syntheses, structures and characterizations of three novel vanadium selenites with organically bonded copper/nickel complex","Journal of Solid State Chemistry","2016","238","","1","8","10.1016/j.jssc.2016.02.044","","","0.71073","MoKα","","0.0347","0.0281","","","0.0611","0.064","","","","","","1.072","","","","has coordinates","263552","2021-04-02","09:35:13",""
"1561468","9.0239","0.0004","10.6596","0.0005","11.0608","0.0006","62.134","0.005","69.284","0.005","89.034","0.004","865.47","0.1","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C10 H9 Cu N2 O10.5 Se2 V2 -","- C10 H8 Cu N2 O10.479 Se2 V2 -","- C20 H16 Cu2 N4 O20.958 Se4 V4 -","2","1","","Qian, Cheng; Kong, Fang; Mao, Jiang-Gao","Syntheses, structures and characterizations of three novel vanadium selenites with organically bonded copper/nickel complex","Journal of Solid State Chemistry","2016","238","","1","8","10.1016/j.jssc.2016.02.044","","","0.71073","MoKα","","0.0297","0.0239","","","0.0532","0.0559","","","","","","1.105","","","","has coordinates","263552","2021-04-02","09:35:13",""
"1561469","9.879","0.0005","10.4128","0.0006","16.2641","0.0008","76.463","0.004","73.915","0.004","84.66","0.004","1562.19","0.15","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C20 H16 Cu2 N4 O18 Se2 V5 -","- C20 H16 Cu2 N4 O18 Se2 V5 -","- C40 H32 Cu4 N8 O36 Se4 V10 -","2","1","","Qian, Cheng; Kong, Fang; Mao, Jiang-Gao","Syntheses, structures and characterizations of three novel vanadium selenites with organically bonded copper/nickel complex","Journal of Solid State Chemistry","2016","238","","1","8","10.1016/j.jssc.2016.02.044","","","1.54178","CuKα","","0.0536","0.0365","","","0.0781","0.0872","","","","","","1.007","","","","has coordinates","263552","2021-04-02","09:35:13",""
"1561470","16.7082","0.0009","20.8465","0.0015","21.0159","0.0014","90","","90","","90","","7320","0.8","293","2","293","2","","","","","","","","5","F d d d :2","-F 2uv 2vw","70","","","","- Cu H2 I3 O2 Pb2 -","- Cu I3 O2 Pb2 -","- Cu32 I96 O64 Pb64 -","32","1","","Welch, Mark D.; Rumsey, Michael S.; Kleppe, Annette K.","A naturally-occurring new lead-based halocuprate(I)","Journal of Solid State Chemistry","2016","238","","9","14","10.1016/j.jssc.2016.03.005","","","0.71073","MoKα","","0.0584","0.0369","","","0.0518","0.0572","","","","","","1.016","","","","has coordinates","263553","2021-04-02","09:39:18",""
"1561471","16.7082","0.0009","20.8465","0.0015","21.0159","0.0014","90","","90","","90","","7320","0.8","293","2","293","2","","","","","","","","5","F d d d :2","-F 2uv 2vw","70","","","","- Cu H2 I3 O2 Pb2 -","- Cu Im3 Om2 Pb2 -","- Cu32 Im96 Om64 Pb64 -","32","1","","Welch, Mark D.; Rumsey, Michael S.; Kleppe, Annette K.","A naturally-occurring new lead-based halocuprate(I)","Journal of Solid State Chemistry","2016","238","","9","14","10.1016/j.jssc.2016.03.005","","","0.71073","MoKα","","0.0585","0.037","","","0.0519","0.0573","","","","","","1.016","","","","has coordinates","263553","2021-04-02","09:39:27",""
"1561480","13.1079","0.0002","4.0007","0.00007","16.5085","0.0003","90","","94.0723","0.0012","90","","863.53","0.03","298","","298","","","","","","","","","3","C 1 2/m 1","-C 2y","12","","lithium tribismuth pentasulfide","","- Bi3 Li S5 -","- Bi3 Li S5 -","- Bi12 Li4 S20 -","4","0.5","","Nakhal, Suliman; Wiedemann, Dennis; Stanje, Bernhard; Dolotko, Oleksandr; Wilkening, Martin; Lerch, Martin","LiBi3S5—A lithium bismuth sulfide with strong cation disorder","Journal of Solid State Chemistry","2016","238","","60","67","10.1016/j.jssc.2016.03.010","powder diffraction","neutron","1.54831","neutron","","","","","0.0216","","","","0.0367","1.52","","","","","","","has coordinates","263890","2021-04-06","08:43:19",""
"1561481","13.1023","0.0006","4.00054","0.00018","16.5092","0.0007","90","","94.084","0.001","90","","863.15","0.07","293","","293","","","","","","","","","3","C 1 2/m 1","-C 2y","12","","lithium tribismuth pentasulfide","","- Bi3 Li S5 -","- Bi2.9995 Li1.0005 S5 -","- Bi11.998 Li4.002 S20 -","4","0.5","","Nakhal, Suliman; Wiedemann, Dennis; Stanje, Bernhard; Dolotko, Oleksandr; Wilkening, Martin; Lerch, Martin","LiBi3S5—A lithium bismuth sulfide with strong cation disorder","Journal of Solid State Chemistry","2016","238","","60","67","10.1016/j.jssc.2016.03.010","powder diffraction","x-ray","1.54184","CuKα","","","","","0.0426","","","","0.0658","3.4","","","","","","","has coordinates","263890","2021-04-06","08:43:20",""
"1561482","9.3213","0.0013","9.3213","0.0013","2.7572","0.0006","90","","90","","90","","239.56","0.07","293","2","293","2","","","","","","","","2","P 4/m b m","-P 4 2ab","127","","","","- Ga5.4 Ta1.6 -","- Ga5.376 Ta1.624 -","- Ga10.752 Ta3.248 -","2","0.125","","Koffi, Agbelenko; Ade, Martin; Hillebrecht, Harald","Single crystal studies of binary compounds Ta/Ga ‒ A system with experimental and crystallographic peculiarities","Journal of Solid State Chemistry","2016","238","","88","102","10.1016/j.jssc.2016.03.014","","","0.71073","MoKα","","0.0238","0.0232","","","0.0473","0.0475","","","","","","1.35","","","","has coordinates","263891","2021-04-06","08:51:22",""
"1561483","6.8388","0.0004","6.8388","0.0004","3.4933","0.0002","90","","90","","90","","163.379","0.016","293","2","293","2","","","","","","","","2","P 4/m b m","-P 4 2ab","127","","","","- Ga2 Ta3 -","- Ga1.88 Ta3 -","- Ga3.76 Ta6 -","2","0.125","","Koffi, Agbelenko; Ade, Martin; Hillebrecht, Harald","Single crystal studies of binary compounds Ta/Ga ‒ A system with experimental and crystallographic peculiarities","Journal of Solid State Chemistry","2016","238","","88","102","10.1016/j.jssc.2016.03.014","","","0.71073","MoKα","","0.0294","0.0204","","","0.0413","0.0428","","","","","","0.894","","","","has coordinates","263892","2021-04-06","08:52:35",""
"1561484","11.7934","0.0005","11.7934","0.0005","16.9667","0.0009","90","","90","","90","","2359.8","0.19","293","2","293","2","","","","","","","","2","P 42/m n m","-P 4n 2n","136","","","","- Ga5 Ta4 -","- Ga2.22222 Ta1.77778 -","- Ga80 Ta64 -","36","2.25","","Koffi, Agbelenko; Ade, Martin; Hillebrecht, Harald","Single crystal studies of binary compounds Ta/Ga ‒ A system with experimental and crystallographic peculiarities","Journal of Solid State Chemistry","2016","238","","88","102","10.1016/j.jssc.2016.03.014","","","0.71073","MoKα","","0.0806","0.0694","","","0.1148","0.1182","","","","","","1.305","","","","has coordinates","263893","2021-04-06","08:54:15",""
"1561485","7.7023","0.0004","7.7023","0.0004","5.3062","0.0003","90","","90","","120","","272.62","0.03","293","2","293","2","","","","","","","","3","P 63/m c m","-P 6c 2","193","","","","- Ga3 O1.5 Ta5 -","- Ga3 O0.37 Ta5 -","- Ga6 O0.74 Ta10 -","2","0.0833333","","Koffi, Agbelenko; Ade, Martin; Hillebrecht, Harald","Single crystal studies of binary compounds Ta/Ga ‒ A system with experimental and crystallographic peculiarities","Journal of Solid State Chemistry","2016","238","","88","102","10.1016/j.jssc.2016.03.014","","","0.71073","MoKα","","0.0147","0.0102","","","0.0167","0.0172","","","","","","0.959","","","","has coordinates","263894","2021-04-06","08:55:49",""
"1561486","10.2199","0.0007","10.2199","0.0007","5.1121","0.0004","90","","90","","90","","533.94","0.07","293","2","293","2","","","","","","","","2","I 4/m c m","-I 4 2c","140","","","","- Ga3 Ta5 -","- Ga3 Ta5 -","- Ga12 Ta20 -","4","0.125","","Koffi, Agbelenko; Ade, Martin; Hillebrecht, Harald","Single crystal studies of binary compounds Ta/Ga ‒ A system with experimental and crystallographic peculiarities","Journal of Solid State Chemistry","2016","238","","88","102","10.1016/j.jssc.2016.03.014","","","0.71073","MoKα","","0.0276","0.0272","","","0.0501","0.0502","","","","","","1.48","","","","has coordinates","263895","2021-04-06","08:57:17",""
"1561487","6.5986","0.0009","6.5986","0.0009","11.931","0.002","90","","90","","90","","519.49","0.13","293","2","293","2","","","","","","","","2","I 4/m c m","-I 4 2c","140","","","","- Ga3 Ta5 -","- Ga2.072 Ta5 -","- Ga8.288 Ta20 -","4","0.125","","Koffi, Agbelenko; Ade, Martin; Hillebrecht, Harald","Single crystal studies of binary compounds Ta/Ga ‒ A system with experimental and crystallographic peculiarities","Journal of Solid State Chemistry","2016","238","","88","102","10.1016/j.jssc.2016.03.014","","","0.71073","MoKα","","0.0659","0.0233","","","0.0396","0.0435","","","","","","0.742","","","","has coordinates","263896","2021-04-06","08:58:31",""
"1561488","9.6967","0.0014","9.6979","0.0015","14.878","0.003","87.18","0.013","80.833","0.013","85.181","0.012","1375.4","0.4","293","2","293","2","","","","","","","","2","P -1","-P 1","2","","","","- Ga31 Ta6 -","- Ga31 Ta6 -","- Ga62 Ta12 -","2","1","","Koffi, Agbelenko; Ade, Martin; Hillebrecht, Harald","Single crystal studies of binary compounds Ta/Ga ‒ A system with experimental and crystallographic peculiarities","Journal of Solid State Chemistry","2016","238","","88","102","10.1016/j.jssc.2016.03.014","","","0.71073","MoKα","","0.2674","0.1649","","","0.3671","0.4276","","","","","","1.181","","","","has coordinates","263897","2021-04-06","08:59:59",""
"1561489","14.311","0.0019","14.311","0.0019","15.344","0.003","90","","90","","120","","2721.5","0.7","293","2","293","2","","","","","","","","2","R -3 :H","-R 3","148","","","","- Ga41 Ta8 -","- Ga41 Ta8 -","- Ga123 Ta24 -","3","0.166667","","Koffi, Agbelenko; Ade, Martin; Hillebrecht, Harald","Single crystal studies of binary compounds Ta/Ga ‒ A system with experimental and crystallographic peculiarities","Journal of Solid State Chemistry","2016","238","","88","102","10.1016/j.jssc.2016.03.014","","","0.71073","MoKα","","0.2033","0.1632","","","0.3818","0.4144","","","","","","1.477","","","","has coordinates","263898","2021-04-06","09:01:04",""
"1561490","3.7695","0.0005","3.7695","0.0005","8.7271","0.0017","90","","90","","90","","124","0.03","293","2","293","2","","","","","","","","2","I 4/m m m","-I 4 2","139","","","","- Ga3 Ta -","- Ga3 Ta -","- Ga6 Ta2 -","2","0.0625","","Koffi, Agbelenko; Ade, Martin; Hillebrecht, Harald","Single crystal studies of binary compounds Ta/Ga ‒ A system with experimental and crystallographic peculiarities","Journal of Solid State Chemistry","2016","238","","88","102","10.1016/j.jssc.2016.03.014","","","0.71073","MoKα","","0.0995","0.0995","","","0.2236","0.2236","","","","","","1.179","","","","has coordinates","263899","2021-04-06","09:02:11",""
"1561491","10.3667","0.0004","13.0988","0.0007","6.48167","0.00033","90","","90","","90","","880.15","0.07","295","","295","","","","","","","","","5","I m m a","-I 2b 2","74","","","","- Cr Na2 Ni2 O12 P3 -","- Cr Na2 Ni2 O12 P3 -","- Cr4 Na8 Ni8 O48 P12 -","4","0.25","","Yahia, H. Ben; Essehli, R.; Avdeev, M.; Park, J-B.; Sun, Y-K.; Al-Maadeed, M.A.; Belharouak, I.","Neutron diffraction studies of the Na-ion battery electrode materials NaCoCr2(PO4)3, NaNiCr2(PO4)3, and Na2Ni2Cr(PO4)3","Journal of Solid State Chemistry","2016","238","","103","108","10.1016/j.jssc.2016.03.011","powder diffraction","neutron","2.4395","","","","","","","","","0.04086","","1.8","","","","","","","has coordinates","263900","2021-04-06","09:08:11",""
"1561492","10.39875","0.00027","12.9858","0.0006","6.36341","0.00028","90","","90","","90","","859.29","0.06","295","","295","","","","","","","","","5","I m m a","-I 2b 2","74","","","","- Cr0.67 Na0.33 Ni0.33 O4 P -","- Cr0.666667 Na0.333333 Ni0.333333 O4 P -","- Cr8 Na4 Ni4 O48 P12 -","12","0.75","","Yahia, H. Ben; Essehli, R.; Avdeev, M.; Park, J-B.; Sun, Y-K.; Al-Maadeed, M.A.; Belharouak, I.","Neutron diffraction studies of the Na-ion battery electrode materials NaCoCr2(PO4)3, NaNiCr2(PO4)3, and Na2Ni2Cr(PO4)3","Journal of Solid State Chemistry","2016","238","","103","108","10.1016/j.jssc.2016.03.011","powder diffraction","neutron","2.4395","","","","","","","","","0.02237","","1.61","","","","","","","has coordinates","263900","2021-04-06","09:08:11",""
"1561493","10.41716","0.0003","13.0366","0.0007","6.38045","0.00032","90","","90","","90","","866.49","0.07","295","","295","","","","","","","","","5","I m m a","-I 2b 2","74","","","","- Co Cr2 Na O12 P3 -","- Co Cr2 Na O12 P3 -","- Co4 Cr8 Na4 O48 P12 -","4","0.25","","Yahia, H. Ben; Essehli, R.; Avdeev, M.; Park, J-B.; Sun, Y-K.; Al-Maadeed, M.A.; Belharouak, I.","Neutron diffraction studies of the Na-ion battery electrode materials NaCoCr2(PO4)3, NaNiCr2(PO4)3, and Na2Ni2Cr(PO4)3","Journal of Solid State Chemistry","2016","238","","103","108","10.1016/j.jssc.2016.03.011","powder diffraction","neutron","2.4395","","","","","","","","","0.03197","","2.56","","","","","","","has coordinates","263900","2021-04-06","09:08:11",""
"1561494","6.8899","0.0003","6.9598","0.0003","17.707","0.0007","88.002","0.001","87.301","0.001","78.849","0.001","831.85","0.06","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- Ag0.97 Cr1.02 Mg2.98 Mo5 O20 -","- Ag0.969 Cr1.032 Mg2.968 Mo5 O20 -","- Ag1.938 Cr2.064 Mg5.936 Mo10 O40 -","2","1","","Kotova, Irina Yu.; Solodovnikov, Sergey F.; Solodovnikova, Zoya A.; Belov, Dmitry A.; Stefanovich, Sergey Yu.; Savina, Aleksandra A.; Khaikina, Elena G.","New series of triple molybdates AgA3R(MoO4)5 (A=Mg, R=Cr, Fe; A=Mn, R=Al, Cr, Fe, Sc, In) with framework structures and mobile silver ion sublattices","Journal of Solid State Chemistry","2016","238","","121","128","10.1016/j.jssc.2016.03.003","","","0.71073","MoKα","","0.0219","0.0185","","","0.0436","0.0447","","","","","","1.053","","","","has coordinates","263901","2021-04-06","09:12:40",""
"1561495","6.8987","0.0002","6.9649","0.0002","17.7208","0.0004","88.005","0.001","87.383","0.001","78.859","0.001","834.25","0.04","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- Ag0.95 Fe1.04 Mg2.96 Mo5 O20 -","- Ag0.96 Fe1.046 Mg2.954 Mo5 O20 -","- Ag1.92 Fe2.092 Mg5.908 Mo10 O40 -","2","1","","Kotova, Irina Yu.; Solodovnikov, Sergey F.; Solodovnikova, Zoya A.; Belov, Dmitry A.; Stefanovich, Sergey Yu.; Savina, Aleksandra A.; Khaikina, Elena G.","New series of triple molybdates AgA3R(MoO4)5 (A=Mg, R=Cr, Fe; A=Mn, R=Al, Cr, Fe, Sc, In) with framework structures and mobile silver ion sublattices","Journal of Solid State Chemistry","2016","238","","121","128","10.1016/j.jssc.2016.03.003","","","0.71073","MoKα","","0.0216","0.0208","","","0.0705","0.0715","","","","","","1.277","","","","has coordinates","263901","2021-04-06","09:12:41",""
"1561496","12.9512","0.0005","23.5801","0.0005","7.2851","0.0002","90","","90","","90","","2224.8","0.12","293","2","293","2","","","","","","","","4","F d d 2","F 2 -2d","43","","","","- Na2 S6 Sn2 Zn -","- Na2 S6 Sn2 Zn -","- Na16 S48 Sn16 Zn8 -","8","0.5","","Yohannan, Jinu P.; Vidyasagar, Kanamaluru","Syntheses and structural characterization of non-centrosymmetric Na2M2M'S6 (M, M′=Ga, In, Si, Ge, Sn, Zn, Cd) sulfides","Journal of Solid State Chemistry","2016","238","","147","155","10.1016/j.jssc.2016.03.026","","","0.71073","MoKα","","0.0199","0.0192","","","0.0429","0.0433","","","","","","1.092","","","","has coordinates","263903","2021-04-06","09:19:03",""
"1561497","12.4051","0.0011","22.7301","0.0014","7.2737","0.0005","90","","90","","90","","2051","0.3","293","2","293","2","","","","","","","","4","F d d 2","F 2 -2d","43","","","","- Ga2 Ge Na2 S6 -","- Ga2 Ge Na2 S6 -","- Ga16 Ge8 Na16 S48 -","8","0.5","","Yohannan, Jinu P.; Vidyasagar, Kanamaluru","Syntheses and structural characterization of non-centrosymmetric Na2M2M'S6 (M, M′=Ga, In, Si, Ge, Sn, Zn, Cd) sulfides","Journal of Solid State Chemistry","2016","238","","147","155","10.1016/j.jssc.2016.03.026","","","0.71073","MoKα","","0.0389","0.0325","","","0.0595","0.0623","","","","","","1.037","","","","has coordinates","263903","2021-04-06","09:19:03",""
"1561498","12.7376","0.0013","23.142","0.002","7.2822","0.001","90","","90","","90","","2146.6","0.4","293","2","293","2","","","","","","","","4","F d d 2","F 2 -2d","43","","","","- Ga2 Na2 S6 Sn -","- Ga2.01 Na2 S6 Sn0.99 -","- Ga16.08 Na16 S48 Sn7.92 -","8","0.5","","Yohannan, Jinu P.; Vidyasagar, Kanamaluru","Syntheses and structural characterization of non-centrosymmetric Na2M2M'S6 (M, M′=Ga, In, Si, Ge, Sn, Zn, Cd) sulfides","Journal of Solid State Chemistry","2016","238","","147","155","10.1016/j.jssc.2016.03.026","","","0.71073","MoKα","","0.0565","0.0405","","","0.0826","0.0916","","","","","","1.031","","","","has coordinates","263903","2021-04-06","09:19:03",""
"1561499","8.547","0.003","11.649","0.003","12.494","0.004","90","","109.818","0.012","90","","1170.3","0.6","293","2","293","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- Ga2 Na2 S6 Sn -","- Ga2.01 Na2 S6 Sn0.99 -","- Ga8.04 Na8 S24 Sn3.96 -","4","1","","Yohannan, Jinu P.; Vidyasagar, Kanamaluru","Syntheses and structural characterization of non-centrosymmetric Na2M2M'S6 (M, M′=Ga, In, Si, Ge, Sn, Zn, Cd) sulfides","Journal of Solid State Chemistry","2016","238","","147","155","10.1016/j.jssc.2016.03.026","","","0.71073","MoKα","","0.0967","0.06","","","0.1431","0.1668","","","","","","1.061","","","","has coordinates","263903","2021-04-06","09:19:03",""
"1561500","7.263","0.0002","12.3404","0.0004","11.3057","0.0005","90","","99.959","0.002","90","","998.04","0.06","293","2","293","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- Ge2 Na2 S6 Zn -","- Ge2 Na2 S6 Zn -","- Ge8 Na8 S24 Zn4 -","4","1","","Yohannan, Jinu P.; Vidyasagar, Kanamaluru","Syntheses and structural characterization of non-centrosymmetric Na2M2M'S6 (M, M′=Ga, In, Si, Ge, Sn, Zn, Cd) sulfides","Journal of Solid State Chemistry","2016","238","","147","155","10.1016/j.jssc.2016.03.026","","","0.71073","MoKα","","0.0382","0.0319","","","0.058","0.0604","","","","","","1.036","","","","has coordinates","263903","2021-04-06","09:19:04",""
"1561501","7.3038","0.0002","12.6573","0.0003","11.5297","0.0003","90","","98.8702","0.0016","90","","1053.13","0.05","293","2","293","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- Cd Ge2 Na2 S6 -","- Cd Ge2 Na2 S6 -","- Cd4 Ge8 Na8 S24 -","4","1","","Yohannan, Jinu P.; Vidyasagar, Kanamaluru","Syntheses and structural characterization of non-centrosymmetric Na2M2M'S6 (M, M′=Ga, In, Si, Ge, Sn, Zn, Cd) sulfides","Journal of Solid State Chemistry","2016","238","","147","155","10.1016/j.jssc.2016.03.026","","","0.71073","MoKα","","0.0341","0.0278","","","0.0403","0.0424","","","","","","0.942","","","","has coordinates","263903","2021-04-06","09:19:04",""
"1561502","11.983","0.004","7.786","0.003","12.126","0.004","90","","108.148","0.013","90","","1075.1","0.7","293","2","293","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- In2 Na2 S6 Si -","- In2 Na2 S6 Si -","- In8 Na8 S24 Si4 -","4","1","","Yohannan, Jinu P.; Vidyasagar, Kanamaluru","Syntheses and structural characterization of non-centrosymmetric Na2M2M'S6 (M, M′=Ga, In, Si, Ge, Sn, Zn, Cd) sulfides","Journal of Solid State Chemistry","2016","238","","147","155","10.1016/j.jssc.2016.03.026","","","0.71073","MoKα","","0.046","0.0404","","","0.0902","0.0949","","","","","","1.046","","","","has coordinates","263903","2021-04-06","09:19:04",""
"1561503","12.1651","0.0007","7.8212","0.0005","12.2355","0.0007","90","","108.655","0.002","90","","1102.99","0.11","293","2","293","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- Ge In2 Na2 S6 -","- Ge In2 Na2 S6 -","- Ge4 In8 Na8 S24 -","4","1","","Yohannan, Jinu P.; Vidyasagar, Kanamaluru","Syntheses and structural characterization of non-centrosymmetric Na2M2M'S6 (M, M′=Ga, In, Si, Ge, Sn, Zn, Cd) sulfides","Journal of Solid State Chemistry","2016","238","","147","155","10.1016/j.jssc.2016.03.026","","","0.71073","MoKα","","0.0202","0.0195","","","0.0392","0.0395","","","","","","1.003","","","","has coordinates","263903","2021-04-06","09:19:04",""
"1561504","6.6087","0.0013","24.776","0.007","6.2193","0.0012","90","","90","","90","","1018.3","0.4","293","","293","","","","","","","","","5","C c m 21","C 2c -2c","36","m-xylylenediamine zinc sulphide","m-xylylenediamine zinc sulphide","","- C4 H6 N S Zn -","- C4 H6 N S Zn -","- C32 H48 N8 S8 Zn8 -","8","1","","Luberda-Durnaś, K.; Guillén, A. González; Łasocha, W.","Synthesis optimisation and characterisation of the organic-inorganic layered materials ZnS(m-xylylenediamine)1/2 and ZnS(p-xylylenediamine)1/2","Journal of Solid State Chemistry","2016","238","","162","169","10.1016/j.jssc.2016.03.022","powder diffraction","","1.5418","CuKα","","5.28","","","","","","","","6.22","","","","","","","has coordinates","263904","2021-04-06","09:23:30",""
"1561505","6.6018","0.0006","24.829","0.005","6.217","0.0006","90","","90","","90","","1019.1","0.2","293","","293","","","","","","","","","5","P c a b","-P 2bc 2ac","61","p-xylylenediamine zinc sulphide","p-xylylenediamine zinc sulphide","","- C8 H12 N2 S2 Zn2 -","- C8 H12 N2 S2 Zn2 -","- C32 H48 N8 S8 Zn8 -","4","0.5","","Luberda-Durnaś, K.; Guillén, A. González; Łasocha, W.","Synthesis optimisation and characterisation of the organic-inorganic layered materials ZnS(m-xylylenediamine)1/2 and ZnS(p-xylylenediamine)1/2","Journal of Solid State Chemistry","2016","238","","162","169","10.1016/j.jssc.2016.03.022","powder diffraction","x-ray","1.5418","CuKα","","0.0195","0.0195","","0.0306","0.0306","","","","3.12","","","","","","","has coordinates","263904","2021-04-06","09:23:30",""
"1561506","27.72","0.005","27.72","0.005","8.84","0.003","90","","90","","120","","5883","2","296","2","296","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- C22 H14 Co N12 -","- C22 H14 Co N12 -","- C198 H126 Co9 N108 -","9","0.5","","Dong, Wen-Wen; Xia, Liang; Peng, Zhen; Zhao, Jun; Wu, Ya-Pan; Zhang, Jian; Li, Dong-Sheng","Unique microporous NbO-type CoII/ZnII MOFs from double helical chains: Sorption and luminescent properties","Journal of Solid State Chemistry","2016","238","","170","174","10.1016/j.jssc.2016.03.027","","","0.71073","MoKα","","0.0948","0.0762","","","0.1563","0.1677","","","","","","1.201","","","","has coordinates","263905","2021-04-06","09:28:38",""
"1561507","28.6","0.04","28.6","0.04","17.6","0.02","90","","90","","120","","12467","3","296","2","296","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- C22 H14 N12 Zn -","- C22 H14 N12 Zn -","- C396 H252 N216 Zn18 -","18","1","","Dong, Wen-Wen; Xia, Liang; Peng, Zhen; Zhao, Jun; Wu, Ya-Pan; Zhang, Jian; Li, Dong-Sheng","Unique microporous NbO-type CoII/ZnII MOFs from double helical chains: Sorption and luminescent properties","Journal of Solid State Chemistry","2016","238","","170","174","10.1016/j.jssc.2016.03.027","","","0.71073","MoKα","","0.1811","0.1697","","","0.4601","0.4738","","","","","","2.003","","","","has coordinates","263906","2021-04-06","09:30:01",""
"1561508","13.8647","0.0006","13.8647","0.0006","18.9623","0.0014","90","","90","","120","","3156.8","0.3","100","2","100","2","","","","","","","","7","R 3 2 :H","R 3 2""","155","","","","- C9 H40.5 N7.5 Na O1.5 Se14 Sn6 -","- C9 H37.5 N7.5 Na O1.5 Se14 Sn6 -","- C27 H112.5 N22.5 Na3 O4.5 Se42 Sn18 -","3","0.166667","","Du, Cheng-Feng; Li, Jian-Rong; Shen, Nan-Nan; Huang, Xiao-Ying","Ionothermal synthesis and electrochemical properties of a selenidostannate containing the mixed cations of Na+ and enH+","Journal of Solid State Chemistry","2016","238","","203","209","10.1016/j.jssc.2016.03.036","","","0.71073","MoKα","","0.0292","0.025","","","0.0527","0.0551","","","","","","1.006","","","","has coordinates,has disorder","263907","2021-04-06","09:35:29",""
"1561509","9.9931","0.0011","3.7664","0.0004","18.607","0.002","90","","90","","90","","700.33","0.13","193","2","193","2","","","","","","","","3","P n m a","-P 2ac 2n","62","potassium germanium arsenide (1/3/3)","potassium germanium arsenide (1/3/3)","","- As3 Ge3 K -","- As3 Ge3 K -","- As12 Ge12 K4 -","4","0.5","","Khatun, Mansura; Stoyko, Stanislav S.; Mar, Arthur","Ternary arsenides ATt3As3 (A=K, Rb; Tt=Ge, Sn) with layered structures","Journal of Solid State Chemistry","2016","238","","229","235","10.1016/j.jssc.2016.03.035","","","0.71073","MoKα","","0.0626","0.0386","","","0.0879","0.0961","","","","","","1.084","","","","has coordinates","263908","2021-04-06","09:42:13",""
"1561510","10.1657","0.0019","3.7595","0.0007","19.028","0.004","90","","90","","90","","727.2","0.2","193","2","193","2","","","","","","","","3","P n m a","-P 2ac 2n","62","rubidium germanium arsenide (1/3/3)","rubidium germanium arsenide (1/3/3)","","- As3 Ge3 Rb -","- As3 Ge3 Rb -","- As12 Ge12 Rb4 -","4","0.5","","Khatun, Mansura; Stoyko, Stanislav S.; Mar, Arthur","Ternary arsenides ATt3As3 (A=K, Rb; Tt=Ge, Sn) with layered structures","Journal of Solid State Chemistry","2016","238","","229","235","10.1016/j.jssc.2016.03.035","","","0.71073","MoKα","","0.1155","0.0616","","","0.1547","0.1882","","","","","","1.052","","","","has coordinates","263909","2021-04-06","09:44:56",""
"1561511","10.199","0.0012","4.084","0.0005","19.24","0.002","90","","90","","90","","801.4","0.16","173","2","173","2","","","","","","","","3","P n m a","-P 2ac 2n","62","potassium tin arsenide (1/3/3)","potassium tin arsenide (1/3/3)","","- As3 K Sn3 -","- As3 K Sn3 -","- As12 K4 Sn12 -","4","0.5","","Khatun, Mansura; Stoyko, Stanislav S.; Mar, Arthur","Ternary arsenides ATt3As3 (A=K, Rb; Tt=Ge, Sn) with layered structures","Journal of Solid State Chemistry","2016","238","","229","235","10.1016/j.jssc.2016.03.035","","","0.71073","MoKα","","0.0553","0.0341","","","0.068","0.0745","","","","","","1.02","","","","has coordinates","263910","2021-04-06","09:47:16",""
"1561512","10.3211","0.0011","4.0917","0.0004","19.57","0.002","90","","90","","90","","826.46","0.15","173","2","173","2","","","","","","","","3","P n m a","-P 2ac 2n","62","rubidium tin arsenide (1/3/3)","rubidium tin arsenide (1/3/3)","","- As3 Rb Sn3 -","- As3 Rb Sn3 -","- As12 Rb4 Sn12 -","4","0.5","","Khatun, Mansura; Stoyko, Stanislav S.; Mar, Arthur","Ternary arsenides ATt3As3 (A=K, Rb; Tt=Ge, Sn) with layered structures","Journal of Solid State Chemistry","2016","238","","229","235","10.1016/j.jssc.2016.03.035","","","0.71073","MoKα","","0.0426","0.0271","","","0.0547","0.0603","","","","","","1.017","","","","has coordinates","263911","2021-04-06","09:48:22",""
"1561517","20.559","0.005","13.824","0.003","13.607","0.004","90","","118.271","0.009","90","","3405.9","1.5","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C36 H34 N4 Ni O12 -","- C36 H34 N4 Ni O12 -","- C144 H136 N16 Ni4 O48 -","4","0.5","","Wang, Chao; Zhao, Jun; Xia, Liang; Wu, Xue-Qian; Wang, Jian-Fang; Dong, Wen-Wen; Wu, Ya-Pan","Utilization of mixed ligands to construct diverse Ni(II)-coordination polymers based on terphenyl-2,2′,4,4′-tetracarboxylic acid and varied N-donor co-ligands","Journal of Solid State Chemistry","2016","238","","273","278","10.1016/j.jssc.2016.03.049","","","0.71073","MoKα","","0.0544","0.0484","","","0.1241","0.1286","","","","","","1.033","","","","has coordinates","263937","2021-04-07","06:57:37",""
"1561518","9.596","0.01","11.207","0.01","14.281","0.015","83.41","0.03","89.53","0.02","74.86","0.02","1472","3","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C32 H27 N3 Ni O11 -","- C32 H27 N3 Ni O11 -","- C64 H54 N6 Ni2 O22 -","2","1","","Wang, Chao; Zhao, Jun; Xia, Liang; Wu, Xue-Qian; Wang, Jian-Fang; Dong, Wen-Wen; Wu, Ya-Pan","Utilization of mixed ligands to construct diverse Ni(II)-coordination polymers based on terphenyl-2,2′,4,4′-tetracarboxylic acid and varied N-donor co-ligands","Journal of Solid State Chemistry","2016","238","","273","278","10.1016/j.jssc.2016.03.049","","","0.71073","MoKα","","0.0737","0.0534","","","0.1203","0.1471","","","","","","1.044","","","","has coordinates","263937","2021-04-07","06:57:38",""
"1561519","8.828","0.006","18.361","0.011","14.652","0.01","90","","105.005","0.01","90","","2294","3","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H23 N2 Ni O6 -","- C24 H21 N2 Ni O6 -","- C96 H84 N8 Ni4 O24 -","4","1","","Wang, Chao; Zhao, Jun; Xia, Liang; Wu, Xue-Qian; Wang, Jian-Fang; Dong, Wen-Wen; Wu, Ya-Pan","Utilization of mixed ligands to construct diverse Ni(II)-coordination polymers based on terphenyl-2,2′,4,4′-tetracarboxylic acid and varied N-donor co-ligands","Journal of Solid State Chemistry","2016","238","","273","278","10.1016/j.jssc.2016.03.049","","","0.71073","MoKα","","0.0633","0.0528","","","0.1386","0.1501","","","","","","1.045","","","","has coordinates","263937","2021-04-07","06:57:38",""
"1561520","9.106","0.0005","11.6972","0.0005","13.3469","0.0007","87.194","0.004","79.717","0.005","82.506","0.004","1386.38","0.12","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C27 H26 N4 O9 Zn2 -","- C27 H26 N4 O9 Zn2 -","- C54 H52 N8 O18 Zn4 -","2","1","","Sun, Yayong; Zhao, Siwei; Ma, Haoran; Han, Yi; Liu, Kang; Wang, Lei","Positional isomerism-driven two 3D pillar-layered metal-organic frameworks: Syntheses, topological structures and photoluminescence properties","Journal of Solid State Chemistry","2016","238","","284","290","10.1016/j.jssc.2016.04.001","","","0.71073","MoKα","","0.048","0.0351","","","0.0745","0.0827","","","","","","1.026","","","","has coordinates","263938","2021-04-07","07:02:25",""
"1561521","37.786","0.0014","12.9841","0.0002","16.591","0.0006","90","","104.732","0.003","90","","7872.2","0.4","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C76 H72 K2 N8 O36 Zn5 -","- C76 H72 K2 N8 O36 Zn5 -","- C304 H288 K8 N32 O144 Zn20 -","4","0.5","","Sun, Yayong; Zhao, Siwei; Ma, Haoran; Han, Yi; Liu, Kang; Wang, Lei","Positional isomerism-driven two 3D pillar-layered metal-organic frameworks: Syntheses, topological structures and photoluminescence properties","Journal of Solid State Chemistry","2016","238","","284","290","10.1016/j.jssc.2016.04.001","","","0.7107","MoKα","","0.0363","0.0275","","","0.0632","0.0676","","","","","","1.035","","","","has coordinates","263938","2021-04-07","07:02:27",""
"1561522","13.0366","0.0005","13.0366","0.0005","13.0366","0.0005","90","","90","","90","","2215.61","0.15","293","2","293","2","","","","","","","","4","P a -3","-P 2ac 2ab 3","205","","","","- Ge In K S4 -","- Ge In K S4 -","- Ge12 In12 K12 S48 -","12","0.5","","Yohannan, Jinu P.; Vidyasagar, Kanamaluru","Syntheses, structural variants and characterization of AInM′S4 (A=alkali metals, Tl; M′ = Ge, Sn) compounds; facile ion-exchange reactions of layered NaInSnS4 and KInSnS4 compounds","Journal of Solid State Chemistry","2016","238","","291","302","10.1016/j.jssc.2016.03.045","","","0.71073","MoKα","","0.0528","0.0318","","","0.0563","0.063","","","","","","1.078","","","","has coordinates","263939","2021-04-07","07:20:24",""
"1561523","13.1865","0.0008","13.1865","0.0008","13.1865","0.0008","90","","90","","90","","2292.9","0.2","293","2","293","2","","","","","","","","4","P a -3","-P 2ac 2ab 3","205","","","","- Ge In Rb S4 -","- Ge In Rb S4 -","- Ge12 In12 Rb12 S48 -","12","0.5","","Yohannan, Jinu P.; Vidyasagar, Kanamaluru","Syntheses, structural variants and characterization of AInM′S4 (A=alkali metals, Tl; M′ = Ge, Sn) compounds; facile ion-exchange reactions of layered NaInSnS4 and KInSnS4 compounds","Journal of Solid State Chemistry","2016","238","","291","302","10.1016/j.jssc.2016.03.045","","","0.71073","MoKα","","0.0323","0.026","","","0.0465","0.048","","","","","","1.07","","","","has coordinates","263939","2021-04-07","07:20:36",""
"1561524","13.3832","0.0004","13.3832","0.0004","13.3832","0.0004","90","","90","","90","","2397.07","0.12","293","2","293","2","","","","","","","","4","P a -3","-P 2ac 2ab 3","205","","","","- Cs Ge In S4 -","- Cs Ge In S4 -","- Cs12 Ge12 In12 S48 -","12","0.5","","Yohannan, Jinu P.; Vidyasagar, Kanamaluru","Syntheses, structural variants and characterization of AInM′S4 (A=alkali metals, Tl; M′ = Ge, Sn) compounds; facile ion-exchange reactions of layered NaInSnS4 and KInSnS4 compounds","Journal of Solid State Chemistry","2016","238","","291","302","10.1016/j.jssc.2016.03.045","","","0.71073","MoKα","","0.0506","0.0405","","","0.0677","0.0706","","","","","","1.152","","","","has coordinates","263939","2021-04-07","07:20:49",""
"1561525","12.997","0.006","12.997","0.006","12.997","0.006","90","","90","","90","","2195.5","1.8","293","2","293","2","","","","","","","","4","P a -3","-P 2ac 2ab 3","205","","","","- Ge In S4 Tl -","- Ge In S4 Tl -","- Ge12 In12 S48 Tl12 -","12","0.5","","Yohannan, Jinu P.; Vidyasagar, Kanamaluru","Syntheses, structural variants and characterization of AInM′S4 (A=alkali metals, Tl; M′ = Ge, Sn) compounds; facile ion-exchange reactions of layered NaInSnS4 and KInSnS4 compounds","Journal of Solid State Chemistry","2016","238","","291","302","10.1016/j.jssc.2016.03.045","","","0.71073","MoKα","","0.1098","0.0526","","","0.1003","0.1215","","","","","","0.974","","","","has coordinates","263939","2021-04-07","07:21:02",""
"1561526","17.4966","0.0018","7.4425","0.001","12.5076","0.0019","90","","90","","90","","1628.7","0.4","293","2","293","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- Cs Ge In S4 -","- Cs Ge In S4 -","- Cs8 Ge8 In8 S32 -","8","1","","Yohannan, Jinu P.; Vidyasagar, Kanamaluru","Syntheses, structural variants and characterization of AInM′S4 (A=alkali metals, Tl; M′ = Ge, Sn) compounds; facile ion-exchange reactions of layered NaInSnS4 and KInSnS4 compounds","Journal of Solid State Chemistry","2016","238","","291","302","10.1016/j.jssc.2016.03.045","","","0.71073","MoKα","","0.0546","0.0332","","","0.0514","0.059","","","","","","1.038","","","","has coordinates","263939","2021-04-07","07:21:16",""
"1561527","17.2759","0.0012","7.3404","0.0005","11.6671","0.0008","90","","90","","90","","1479.53","0.18","293","2","293","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- Ge In S4 Tl -","- Ge In S4 Tl -","- Ge8 In8 S32 Tl8 -","8","1","","Yohannan, Jinu P.; Vidyasagar, Kanamaluru","Syntheses, structural variants and characterization of AInM′S4 (A=alkali metals, Tl; M′ = Ge, Sn) compounds; facile ion-exchange reactions of layered NaInSnS4 and KInSnS4 compounds","Journal of Solid State Chemistry","2016","238","","291","302","10.1016/j.jssc.2016.03.045","","","0.71073","MoKα","","0.1809","0.0748","","","0.1725","0.2236","","","","","","0.997","","","","has coordinates","263939","2021-04-07","07:21:29",""
"1561528","10.629","0.004","10.629","0.004","10.629","0.004","90","","90","","90","","1200.8","0.8","293","2","293","2","","","","","","","","4","F d -3 m :2","-F 4vw 2vw 3","227","","","","- In Li S4 Sn -","- In Li S4 Sn -","- In8 Li8 S32 Sn8 -","8","0.0416667","","Yohannan, Jinu P.; Vidyasagar, Kanamaluru","Syntheses, structural variants and characterization of AInM′S4 (A=alkali metals, Tl; M′ = Ge, Sn) compounds; facile ion-exchange reactions of layered NaInSnS4 and KInSnS4 compounds","Journal of Solid State Chemistry","2016","238","","291","302","10.1016/j.jssc.2016.03.045","","","0.71073","MoKα","","0.0271","0.0243","","","0.0535","0.0552","","","","","","1.324","","","","has coordinates","263939","2021-04-07","07:21:35",""
"1561529","3.7273","0.0006","3.7273","0.0006","8.56","0.0016","90","","90","","120","","102.99","0.03","293","2","293","2","","","","","","","","4","P 6/m","-P 6","175","","","","- In Na S4 Sn -","- In0.166667 Na0.166667 S0.666667 Sn0.166667 -","- In0.5 Na0.5 S2 Sn0.5 -","3","0.25","","Yohannan, Jinu P.; Vidyasagar, Kanamaluru","Syntheses, structural variants and characterization of AInM′S4 (A=alkali metals, Tl; M′ = Ge, Sn) compounds; facile ion-exchange reactions of layered NaInSnS4 and KInSnS4 compounds","Journal of Solid State Chemistry","2016","238","","291","302","10.1016/j.jssc.2016.03.045","","","0.71073","MoKα","","0.0558","0.0559","","","0.1642","0.1642","","","","","","1.428","","","","has coordinates,has disorder","263939","2021-04-07","07:21:55",""
"1561530","3.745","0.002","3.745","0.002","8.434","0.005","90","","90","","120","","102.44","0.1","293","2","293","2","","","","","","","","4","P 6/m","-P 6","175","","","","- In K S4 Sn -","- In0.166667 K0.166667 S0.666667 Sn0.166667 -","- In0.5 K0.5 S2 Sn0.5 -","3","0.25","","Yohannan, Jinu P.; Vidyasagar, Kanamaluru","Syntheses, structural variants and characterization of AInM′S4 (A=alkali metals, Tl; M′ = Ge, Sn) compounds; facile ion-exchange reactions of layered NaInSnS4 and KInSnS4 compounds","Journal of Solid State Chemistry","2016","238","","291","302","10.1016/j.jssc.2016.03.045","","","0.71073","MoKα","","0.0356","0.0356","","","0.0906","0.0906","","","","","","1.177","","","","has coordinates,has disorder","263939","2021-04-07","07:22:16",""
"1561531","3.698","0.006","3.698","0.006","24.52","0.03","90","","90","","120","","290.4","0.8","293","2","293","2","","","","","","","","4","R -3 m :H","-R 3 2""","166","","","","- In K S4 Sn -","- In0.166667 K0.166667 S0.666667 Sn0.166667 -","- In1.5 K1.5 S6 Sn1.5 -","9","0.25","","Yohannan, Jinu P.; Vidyasagar, Kanamaluru","Syntheses, structural variants and characterization of AInM′S4 (A=alkali metals, Tl; M′ = Ge, Sn) compounds; facile ion-exchange reactions of layered NaInSnS4 and KInSnS4 compounds","Journal of Solid State Chemistry","2016","238","","291","302","10.1016/j.jssc.2016.03.045","","","0.71073","MoKα","","0.0483","0.0412","","","0.1061","0.1103","","","","","","1.425","","","","has coordinates,has disorder","263939","2021-04-07","07:22:29",""
"1561532","13.4729","0.0005","13.4729","0.0005","13.4729","0.0005","90","","90","","90","","2445.59","0.16","293","2","293","2","","","","","","","","4","P a -3","-P 2ac 2ab 3","205","","","","- In Rb S4 Sn -","- In Rb S4 Sn -","- In12 Rb12 S48 Sn12 -","12","0.5","","Yohannan, Jinu P.; Vidyasagar, Kanamaluru","Syntheses, structural variants and characterization of AInM′S4 (A=alkali metals, Tl; M′ = Ge, Sn) compounds; facile ion-exchange reactions of layered NaInSnS4 and KInSnS4 compounds","Journal of Solid State Chemistry","2016","238","","291","302","10.1016/j.jssc.2016.03.045","","","0.71073","MoKα","","0.0251","0.0203","","","0.0388","0.0399","","","","","","1.12","","","","has coordinates","263939","2021-04-07","07:22:40",""
"1561533","13.6808","0.0001","13.6808","0.0001","13.6808","0.0001","90","","90","","90","","2560.56","0.03","293","2","293","2","","","","","","","","4","P a -3","-P 2ac 2ab 3","205","","","","- Cs In S4 Sn -","- Cs In S4 Sn -","- Cs12 In12 S48 Sn12 -","12","0.5","","Yohannan, Jinu P.; Vidyasagar, Kanamaluru","Syntheses, structural variants and characterization of AInM′S4 (A=alkali metals, Tl; M′ = Ge, Sn) compounds; facile ion-exchange reactions of layered NaInSnS4 and KInSnS4 compounds","Journal of Solid State Chemistry","2016","238","","291","302","10.1016/j.jssc.2016.03.045","","","0.71073","MoKα","","0.0297","0.0223","","","0.0344","0.0355","","","","","","1.117","","","","has coordinates","263939","2021-04-07","07:22:50",""
"1561534","18.068","0.004","17.228","0.004","17.651","0.004","90","","91.942","0.004","90","","5491","2","200","2","200","2","","","","","","","","3","C 1 2/m 1","-C 2y","12","","","","- Cd4 Eu21 Sb18 -","- Cd4 Eu21 Sb18 -","- Cd16 Eu84 Sb72 -","4","0.5","","Wang, Yi; Darone, Gregory M.; Bobev, Svilen","The new Zintl phases Eu21Cd4Sb18 and Eu21Mn4Sb18","Journal of Solid State Chemistry","2016","238","","303","310","10.1016/j.jssc.2016.03.044","","","0.71073","MoKα","","0.039","0.0281","","","0.05","0.0529","","","","","","0.991","","","","has coordinates","263940","2021-04-07","07:29:13",""
"1561535","18.0227","0.001","17.1988","0.0009","17.5981","0.0009","90","","91.876","0.001","90","","5451.9","0.5","200","2","200","2","","","","","","","","3","C 1 2/m 1","-C 2y","12","","","","- Eu21 Mn4 Sb18 -","- Eu21 Mn4 Sb18 -","- Eu84 Mn16 Sb72 -","4","0.5","","Wang, Yi; Darone, Gregory M.; Bobev, Svilen","The new Zintl phases Eu21Cd4Sb18 and Eu21Mn4Sb18","Journal of Solid State Chemistry","2016","238","","303","310","10.1016/j.jssc.2016.03.044","","","0.71073","MoKα","","0.0241","0.0212","","","0.0451","0.0459","","","","","","1.204","","","","has coordinates","263940","2021-04-07","07:29:16",""
"1561536","16.9466","0.0016","17.0564","0.0016","16.731","0.0016","90","","92.677","0.002","90","","4830.8","0.8","200","2","200","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- Mn4 Sb18 Yb21 -","- Mn4 Sb18 Yb21 -","- Mn16 Sb72 Yb84 -","4","0.5","","Wang, Yi; Darone, Gregory M.; Bobev, Svilen","The new Zintl phases Eu21Cd4Sb18 and Eu21Mn4Sb18","Journal of Solid State Chemistry","2016","238","","303","310","10.1016/j.jssc.2016.03.044","","","0.71073","MoKα","","0.059","0.0464","","","0.1121","0.1175","","","","","","1.374","","","","has coordinates","263940","2021-04-07","07:29:17",""
"1561537","16.5833","0.001","16.5833","0.001","21.9115","0.0014","90","","90","","90","","6025.8","0.6","90","","90","","","","","","","","","4","I 41/a c d :2","-I 4bd 2c","142","","","","- Dy0.21 Mn Sb11 Yb13.79 -","- Mn Sb11 Yb14 -","- Mn8 Sb88 Yb112 -","8","0.25","","Grebenkemper, Jason H.; Hu, Yufei; Abdusalyamova, M.N.; Makhmudov, F.A.; Kauzlarich, Susan M.","Magnetic remanence in Yb14−RE MnSb11 (RE=Tb, Dy, Ho) single crystals","Journal of Solid State Chemistry","2016","238","","321","326","10.1016/j.jssc.2016.03.037","","","0.71073","MoKα","","0.0164","0.0159","","","0.0331","0.0333","","","","","","1.307","","","","has coordinates","263941","2021-04-07","07:53:03",""
"1561538","16.611","0.003","16.611","0.003","21.966","0.005","90","","90","","90","","6061","2","90","","90","","","","","","","","","4","I 41/a c d :2","-I 4bd 2c","142","","","","- Dy0.48 Mn Sb11 Yb13.52 -","- Dy0.48 Mn Sb11 Yb13.52 -","- Dy3.84 Mn8 Sb88 Yb108.16 -","8","0.25","","Grebenkemper, Jason H.; Hu, Yufei; Abdusalyamova, M.N.; Makhmudov, F.A.; Kauzlarich, Susan M.","Magnetic remanence in Yb14−RE MnSb11 (RE=Tb, Dy, Ho) single crystals","Journal of Solid State Chemistry","2016","238","","321","326","10.1016/j.jssc.2016.03.037","","","0.71073","MoKα","","0.0248","0.0214","","","0.0413","0.0424","","","","","","1.122","","","","has coordinates","263942","2021-04-07","07:54:40",""
"1561539","16.5923","0.0012","16.5923","0.0012","21.916","0.0016","90","","90","","90","","6033.6","0.8","90","","90","","","","","","","","","4","I 41/a c d :2","-I 4bd 2c","142","","","","- Mn Sb11 Tb0.17 Yb14 -","- Mn Sb11 Yb14 -","- Mn8 Sb88 Yb112 -","8","0.25","","Grebenkemper, Jason H.; Hu, Yufei; Abdusalyamova, M.N.; Makhmudov, F.A.; Kauzlarich, Susan M.","Magnetic remanence in Yb14−RE MnSb11 (RE=Tb, Dy, Ho) single crystals","Journal of Solid State Chemistry","2016","238","","321","326","10.1016/j.jssc.2016.03.037","","","0.71073","MoKα","","0.0175","0.0168","","","0.034","0.0342","","","","","","1.36","","","","has coordinates","263943","2021-04-07","07:56:01",""
"1561540","16.5997","0.0019","16.5997","0.0019","21.963","0.003","90","","90","","90","","6051.9","1.3","90","","90","","","","","","","","","4","I 41/a c d :2","-I 4bd 2c","142","","","","- Mn Sb11 Tb0.4 Yb13.6 -","- Mn Sb11 Tb0.4 Yb13.6 -","- Mn8 Sb88 Tb3.2 Yb108.8 -","8","0.25","","Grebenkemper, Jason H.; Hu, Yufei; Abdusalyamova, M.N.; Makhmudov, F.A.; Kauzlarich, Susan M.","Magnetic remanence in Yb14−RE MnSb11 (RE=Tb, Dy, Ho) single crystals","Journal of Solid State Chemistry","2016","238","","321","326","10.1016/j.jssc.2016.03.037","","","0.71073","MoKα","","0.0175","0.0173","","","0.0354","0.0354","","","","","","1.486","","","","has coordinates","263944","2021-04-07","07:58:15",""
"1561541","16.5847","0.0006","16.5847","0.0006","21.9167","0.0008","90","","90","","90","","6028.2","0.4","90","","90","","","","","","","","","4","I 41/a c d :2","-I 4bd 2c","142","","","","- Ho0.17 Mn Sb11 Yb13.83 -","- Mn Sb11 Yb14 -","- Mn8 Sb88 Yb112 -","8","0.25","","Grebenkemper, Jason H.; Hu, Yufei; Abdusalyamova, M.N.; Makhmudov, F.A.; Kauzlarich, Susan M.","Magnetic remanence in Yb14−RE MnSb11 (RE=Tb, Dy, Ho) single crystals","Journal of Solid State Chemistry","2016","238","","321","326","10.1016/j.jssc.2016.03.037","","","0.71073","MoKα","","0.0196","0.0176","","","0.0347","0.0353","","","","","","1.169","","","","has coordinates","263945","2021-04-07","08:00:00",""
"1561542","16.5845","0.0006","16.5845","0.0006","21.9411","0.0008","90","","90","","90","","6034.8","0.4","90","","90","","","","","","","","","4","I 41/a c d :2","-I 4bd 2c","142","","","","- Ho0.49 Mn Sb11 Yb13.51 -","- Ho0.48 Mn Sb11 Yb13.52 -","- Ho3.84 Mn8 Sb88 Yb108.16 -","8","0.25","","Grebenkemper, Jason H.; Hu, Yufei; Abdusalyamova, M.N.; Makhmudov, F.A.; Kauzlarich, Susan M.","Magnetic remanence in Yb14−RE MnSb11 (RE=Tb, Dy, Ho) single crystals","Journal of Solid State Chemistry","2016","238","","321","326","10.1016/j.jssc.2016.03.037","","","0.71073","MoKα","","0.0197","0.0175","","","0.0317","0.0321","","","","","","1.189","","","","has coordinates","263946","2021-04-07","08:01:44",""
"1561543","7.4942","0.0012","7.4942","0.0012","5.3409","0.0018","90","","90","","90","","299.96","0.12","296","2","296","2","","","","","","","","4","P 4/n m m :2","-P 4a 2a","129","","","","- Cl Mo Na3 O4 -","- Cl Mo Na3 O4 -","- Cl2 Mo2 Na6 O8 -","2","0.125","","Han, Shujuan; Bai, Chunyan; Zhang, Bingbing; Yang, Zhihua; Pan, Shilie","Synthesis, structure and optical properties of two isotypic crystals, Na3MO4Cl (M=W, Mo)","Journal of Solid State Chemistry","2016","237","","14","18","10.1016/j.jssc.2016.01.009","","","0.71073","MoKα","","0.0127","0.0124","","","0.0333","0.0334","","","","","","1.187","","","","has coordinates","263947","2021-04-07","08:26:44",""
"1561544","7.5181","0.0015","7.5181","0.0015","5.36","0.002","90","","90","","90","","302.96","0.14","293","2","293","2","","","","","","","","4","P 4/n m m :2","-P 4a 2a","129","","","","- Cl Na3 O4 W -","- Cl Na3 O4 W -","- Cl2 Na6 O8 W2 -","2","0.125","","Han, Shujuan; Bai, Chunyan; Zhang, Bingbing; Yang, Zhihua; Pan, Shilie","Synthesis, structure and optical properties of two isotypic crystals, Na3MO4Cl (M=W, Mo)","Journal of Solid State Chemistry","2016","237","","14","18","10.1016/j.jssc.2016.01.009","","","0.71073","MoKα","","0.0104","0.0099","","","0.0275","0.0279","","","","","","1.192","","","","has coordinates","263947","2021-04-07","08:26:47",""
"1561545","7.5193","0.0006","7.5193","0.0006","13.4126","0.0017","90","","90","","90","","758.35","0.13","293","2","293","2","","","","","","","","4","I 4/m c m","-I 4 2c","140","","","","- Ga0.33 La2 S5 Sb -","- Ga0.34 La2 S5 Sb -","- Ga1.36 La8 S20 Sb4 -","4","0.125","","Zhao, Hua-Jun","Centrosymmetry vs noncentrosymmetry in La2Ga0.33SbS5 and Ce4GaSbS9 based on the interesting size effects of lanthanides: Syntheses, crystal structures, and optical properties","Journal of Solid State Chemistry","2016","237","","99","104","10.1016/j.jssc.2016.01.021","","","0.71073","MoKα","","0.0531","0.0521","","","0.1361","0.1377","","","","","","1.26","","","","has coordinates","263948","2021-04-07","09:02:26",""
"1561546","13.8834","0.0009","14.3004","0.0011","14.4102","0.0013","90","","90","","90","","2861","0.4","293","2","293","2","","","","","","","","4","A e a 2","A 2 -2ab","41","","","","- Ce4 Ga S9 Sb -","- Ce4 Ga S9 Sb -","- Ce32 Ga8 S72 Sb8 -","8","1","","Zhao, Hua-Jun","Centrosymmetry vs noncentrosymmetry in La2Ga0.33SbS5 and Ce4GaSbS9 based on the interesting size effects of lanthanides: Syntheses, crystal structures, and optical properties","Journal of Solid State Chemistry","2016","237","","99","104","10.1016/j.jssc.2016.01.021","","","0.71073","MoKα","","0.0217","0.0205","","","0.0343","0.0348","","","","","","1.017","","","","has coordinates","263948","2021-04-07","09:02:26",""
"1561551","13.2393","0.0005","6.4305","0.0002","20.6432","0.0008","90","","104.315","0.0006","90","","1702.9","0.11","296","2","296","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","barium gallium selenide (4/2/8)","barium gallium selenide (4/2/8)","","- Ba4 Ga2 Se8 -","- Ba4 Ga2 Se8 -","- Ba16 Ga8 Se32 -","4","1","","Yin, Wenlong; Iyer, Abishek K.; Lin, Xinsong; Mar, Arthur","Ba4Ga2Se8: A ternary selenide containing chains and discrete Se22− units","Journal of Solid State Chemistry","2016","237","","144","149","10.1016/j.jssc.2016.02.014","","","0.71073","MoKα","","0.0609","0.0359","","","0.0753","0.086","","","","","","1.052","","","","has coordinates","263969","2021-04-08","07:27:54",""
"1561552","7.8224","0.0011","10.6257","0.0015","13.1557","0.0019","94.72","0.002","92.336","0.002","110.181","0.002","1020.1","0.3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C12 H35 In5 N4 O33 P8 -","- C12 H34 In5 N4 O33 P8 -","- C12 H34 In5 N4 O33 P8 -","1","0.5","","Zuo, Mengmeng; Zhou, Mingdong; Hu, Dianwen; Gao, Fan; Dong, Sijie; Huang, Liangliang","A novel 3D framework indium phosphite-oxalate based on a pcu-type topology","Journal of Solid State Chemistry","2016","237","","219","224","10.1016/j.jssc.2016.02.019","","","0.71073","MoKα","","0.0754","0.0664","","","0.1798","0.1954","","","","","","1.168","","","","has coordinates,has disorder","263970","2021-04-08","07:35:11",""
"1561553","9.463","0.0008","11.2109","0.0009","12.9411","0.0011","90","","123.012","0.003","90","","1151.26","0.17","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C13 H9 N O5 -","- C13 H9 N O5 -","- C52 H36 N4 O20 -","4","1","","Yan, Xingxiu; Qiu, Xiandeng; Yan, Zhishuo; Li, Hongjiang; Gong, Yun; Lin, Jianhua","Configurations, band structures and photocurrent responses of 4-(4-oxopyridin-1(4H)-yl)phthalic acid and its metal-organic frameworks","Journal of Solid State Chemistry","2016","237","","313","322","10.1016/j.jssc.2016.02.041","","","0.71073","MoKα","","0.0929","0.0493","","","0.0971","0.1083","","","","","","0.998","","","","has coordinates","263971","2021-04-08","07:43:40",""
"1561554","8.718","0.0007","10.3129","0.0009","14.0421","0.0012","72.988","0.001","72.49","0.001","89.381","0.002","1147.18","0.17","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C25 H21 N3 O7 Zn -","- C25 H21 N3 O7 Zn -","- C50 H42 N6 O14 Zn2 -","2","1","","Yan, Xingxiu; Qiu, Xiandeng; Yan, Zhishuo; Li, Hongjiang; Gong, Yun; Lin, Jianhua","Configurations, band structures and photocurrent responses of 4-(4-oxopyridin-1(4H)-yl)phthalic acid and its metal-organic frameworks","Journal of Solid State Chemistry","2016","237","","313","322","10.1016/j.jssc.2016.02.041","","","0.71073","MoKα","","0.0757","0.0517","","","0.1251","0.1365","","","","","","1.001","","","","has coordinates","263971","2021-04-08","07:43:41",""
"1561555","7.914","0.0006","9.2739","0.0008","10.3051","0.0009","70.95","0.001","74.538","0.002","66.084","0.001","645.59","0.09","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C13 H11 Cd N O7 -","- C13 H11 Cd N O7 -","- C26 H22 Cd2 N2 O14 -","2","1","","Yan, Xingxiu; Qiu, Xiandeng; Yan, Zhishuo; Li, Hongjiang; Gong, Yun; Lin, Jianhua","Configurations, band structures and photocurrent responses of 4-(4-oxopyridin-1(4H)-yl)phthalic acid and its metal-organic frameworks","Journal of Solid State Chemistry","2016","237","","313","322","10.1016/j.jssc.2016.02.041","","","0.71073","MoKα","","0.0411","0.0366","","","0.0983","0.1004","","","","","","1.061","","","","has coordinates","263971","2021-04-08","07:43:41",""
"1561556","7.5226","0.0005","8.7212","0.0006","9.0959","0.0007","79.945","0.001","78.462","0.001","82.405","0.002","572.77","0.07","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C13 H7 Cd N O5 -","- C13 H7 Cd N O5 -","- C26 H14 Cd2 N2 O10 -","2","1","","Yan, Xingxiu; Qiu, Xiandeng; Yan, Zhishuo; Li, Hongjiang; Gong, Yun; Lin, Jianhua","Configurations, band structures and photocurrent responses of 4-(4-oxopyridin-1(4H)-yl)phthalic acid and its metal-organic frameworks","Journal of Solid State Chemistry","2016","237","","313","322","10.1016/j.jssc.2016.02.041","","","0.71073","MoKα","","0.0396","0.0324","","","0.0737","0.0775","","","","","","1.115","","","","has coordinates","263971","2021-04-08","07:43:41",""
"1561557","8.8983","0.0003","9.8333","0.0003","22.4579","0.0007","90","","99.58","0.003","90","","1937.65","0.11","173","2","173.15","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","Potassium lead propylenediaminetetraacetate","","","- C11 H20 K2 N2 O11 Pb -","- C11 H20 K2 N2 O11 Pb -","- C44 H80 K8 N8 O44 Pb4 -","4","1","","Dai, Jun-Wei; Li, Xing; Zheng, Jian-Mei; Dong, Xin; Zhou, Zhao-Hui","Transformations of lead 1,3-propylenediaminetetraacetate to its MOF products for the selective adsorption of methanol","Journal of Solid State Chemistry","2016","237","","364","370","10.1016/j.jssc.2016.02.026","","","0.71073","MoKα","","0.0392","0.0329","","","0.0653","0.068","","","","","","1.083","","","","has coordinates","277994","2022-09-20","08:32:41",""
"1561558","10.1672","0.0004","12.014","0.0003","14.0165","0.0004","90","","96.894","0.004","90","","1699.72","0.09","173","2","173.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C11 H22 N2 O11 Pb -","- C11 H22 N2 O11 Pb -","- C44 H88 N8 O44 Pb4 -","4","1","","Dai, Jun-Wei; Li, Xing; Zheng, Jian-Mei; Dong, Xin; Zhou, Zhao-Hui","Transformations of lead 1,3-propylenediaminetetraacetate to its MOF products for the selective adsorption of methanol","Journal of Solid State Chemistry","2016","237","","364","370","10.1016/j.jssc.2016.02.026","","","0.71073","MoKα","","0.0408","0.0323","","","0.0623","0.0656","","","","","","1.03","","","","has coordinates","263973","2021-04-08","07:52:09",""
"1561559","10.4941","0.0003","22.7391","0.0006","9.7704","0.0003","90","","108.208","0.003","90","","2214.73","0.12","153","0.1","153","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C11 H30 N2 O16 Pb2 -","- C11 H30 N2 O16 Pb2 -","- C44 H120 N8 O64 Pb8 -","4","1","","Dai, Jun-Wei; Li, Xing; Zheng, Jian-Mei; Dong, Xin; Zhou, Zhao-Hui","Transformations of lead 1,3-propylenediaminetetraacetate to its MOF products for the selective adsorption of methanol","Journal of Solid State Chemistry","2016","237","","364","370","10.1016/j.jssc.2016.02.026","","","0.71073","MoKα","","0.0455","0.0377","","","0.0703","0.0739","","","","","","1.038","","","","has coordinates","263974","2021-04-08","07:53:29",""
"1561560","22.1613","0.0012","9.6798","0.0005","7.552","0.0004","90","","93.273","0.005","90","","1617.39","0.15","173","2","173.15","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C11 H18 N2 O10 Pb2 -","- C11 H18 N2 O10 Pb2 -","- C44 H72 N8 O40 Pb8 -","4","0.5","","Dai, Jun-Wei; Li, Xing; Zheng, Jian-Mei; Dong, Xin; Zhou, Zhao-Hui","Transformations of lead 1,3-propylenediaminetetraacetate to its MOF products for the selective adsorption of methanol","Journal of Solid State Chemistry","2016","237","","364","370","10.1016/j.jssc.2016.02.026","","","0.71073","MOKα","","0.0341","0.029","","","0.0592","0.0614","","","","","","1.111","","","","has coordinates","263975","2021-04-08","07:54:38",""
"1561561","14.5952","0.0009","14.5216","0.0011","21.1317","0.0013","90","","90","","90","","4478.8","0.5","293.15","","293.15","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C19 H22 B Cd N10 O3 -","- C19 H22 B Cd N10 O3 -","- C152 H176 B8 Cd8 N80 O24 -","8","1","","Liu, Min; Zhang, De-Xiang; Chen, Shumei; Wen, Tian","Loading Ag nanoparticles on Cd(II) boron imidazolate framework for photocatalysis","Journal of Solid State Chemistry","2016","237","","32","35","10.1016/j.jssc.2016.01.016","","","0.71073","MoKα","","0.0785","0.0591","","","0.1331","0.1444","","","","","","1.112","","","","has coordinates","263976","2021-04-08","08:08:21",""
"1561562","10.7337","0.0014","6.2506","0.0003","12.8869","0.0014","90","","106.07","0.004","90","","830.82","0.15","","","300","","","","100","","","","","3","C 1 c 1","C -2yc","9","","","","- Cu2.06 O11 Ta4 -","- Cu2.05 O11 Ta4 -","- Cu8.2 O44 Ta16 -","4","1","","King, Nacole; Sullivan, Ian; Watkins-Curry, Pilanda; Chan, Julia Y.; Maggard, Paul A.","Flux-mediated syntheses, structural characterization and low-temperature polymorphism of the p-type semiconductor Cu2Ta4O11","Journal of Solid State Chemistry","2016","236","","10","18","10.1016/j.jssc.2015.08.041","powder diffraction","x-ray","1.5406","Kα~1,2~","","","","","","0.08587","","0.09653","","2.517","","","","","","","has coordinates","263977","2021-04-08","08:30:13",""
"1561563","5.734","0.0008","5.734","0.0008","7.3859","0.0015","90","","90","","120","","210.3","0.06","293","2","293","2","","","","","","","","5","P -3 m 1","-P 3 2""","164","","","","- Ba K2 Mn O8 V2 -","- Ba K2 Mn O8 V2 -","- Ba K2 Mn O8 V2 -","1","0.0833333","","Sanjeewa, Liurukara D.; McMillen, Colin D.; Willett, Daniel; Chumanov, George; Kolis, Joseph W.","Hydrothermal synthesis of single crystals of transition metal vanadates in the glaserite phase","Journal of Solid State Chemistry","2016","236","","61","68","10.1016/j.jssc.2015.07.039","","","0.71073","MoKα","","0.0225","0.0224","","","0.0541","0.0542","","","","","","1.124","","","","has coordinates","263978","2021-04-08","08:40:14",""
"1561564","5.2887","0.0007","5.2887","0.0007","7.3026","0.0015","90","","90","","120","","176.89","0.05","293","2","293","2","","","","","","","","5","P -3","-P 3","147","","","","- Ba Li2 Mn O8 V2 -","- Ba Li2 Mn O8 V2 -","- Ba Li2 Mn O8 V2 -","1","0.166667","","Sanjeewa, Liurukara D.; McMillen, Colin D.; Willett, Daniel; Chumanov, George; Kolis, Joseph W.","Hydrothermal synthesis of single crystals of transition metal vanadates in the glaserite phase","Journal of Solid State Chemistry","2016","236","","61","68","10.1016/j.jssc.2015.07.039","","","0.71073","MoKα","","0.0207","0.0207","","","0.055","0.0551","","","","","","1.19","","","","has coordinates","263978","2021-04-08","08:40:14",""
"1561565","5.5489","0.0008","5.5489","0.0008","7.0741","0.0014","90","","90","","120","","188.63","0.05","293","2","293","2","","","","","","","","5","P -3 m 1","-P 3 2""","164","","","","- Ba Co Na2 O8 V2 -","- Ba Co Na2 O8 V2 -","- Ba Co Na2 O8 V2 -","1","0.0833333","","Sanjeewa, Liurukara D.; McMillen, Colin D.; Willett, Daniel; Chumanov, George; Kolis, Joseph W.","Hydrothermal synthesis of single crystals of transition metal vanadates in the glaserite phase","Journal of Solid State Chemistry","2016","236","","61","68","10.1016/j.jssc.2015.07.039","","","0.71073","MoKα","","0.0265","0.0265","","","0.0631","0.0631","","","","","","1.125","","","","has coordinates","263978","2021-04-08","08:40:15",""
"1561566","5.5731","0.0008","5.5731","0.0008","7.1034","0.0014","90","","90","","120","","191.07","0.05","293","2","293","2","","","","","","","","5","P -3 m 1","-P 3 2""","164","","","","- Ba Fe Na2 O8 V2 -","- Ba Fe Na2 O8 V2 -","- Ba Fe Na2 O8 V2 -","1","0.0833333","","Sanjeewa, Liurukara D.; McMillen, Colin D.; Willett, Daniel; Chumanov, George; Kolis, Joseph W.","Hydrothermal synthesis of single crystals of transition metal vanadates in the glaserite phase","Journal of Solid State Chemistry","2016","236","","61","68","10.1016/j.jssc.2015.07.039","","","0.71073","MoKα","","0.0322","0.0322","","","0.0766","0.0766","","","","","","1.194","","","","has coordinates","263978","2021-04-08","08:40:15",""
"1561567","5.5921","0.0008","5.5921","0.0008","7.1628","0.0014","90","","90","","120","","193.98","0.05","293","2","293","2","","","","","","","","5","P -3 m 1","-P 3 2""","164","","","","- Ba Mn Na2 O8 V2 -","- Ba Mn Na2 O8 V2 -","- Ba Mn Na2 O8 V2 -","1","0.0833333","","Sanjeewa, Liurukara D.; McMillen, Colin D.; Willett, Daniel; Chumanov, George; Kolis, Joseph W.","Hydrothermal synthesis of single crystals of transition metal vanadates in the glaserite phase","Journal of Solid State Chemistry","2016","236","","61","68","10.1016/j.jssc.2015.07.039","","","0.71073","MoKα","","0.0258","0.0258","","","0.0766","0.0766","","","","","","1.184","","","","has coordinates","263978","2021-04-08","08:40:15",""
"1561568","13.677","0.003","5.5025","0.0011","9.5767","0.0019","90","","90.01","0.03","90","","720.7","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- Co Na2 O8 Sr V2 -","- Co Na2 O8 Sr V2 -","- Co4 Na8 O32 Sr4 V8 -","4","1","","Sanjeewa, Liurukara D.; McMillen, Colin D.; Willett, Daniel; Chumanov, George; Kolis, Joseph W.","Hydrothermal synthesis of single crystals of transition metal vanadates in the glaserite phase","Journal of Solid State Chemistry","2016","236","","61","68","10.1016/j.jssc.2015.07.039","","","0.71073","MoKα","","0.0609","0.0509","","","0.1173","0.1283","","","","","","1.196","","","","has coordinates","263978","2021-04-08","08:40:15",""
"1561569","13.823","0.003","5.5671","0.0011","9.6686","0.0019","90","","90.09","0.03","90","","744","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- Mn Na2 O8 Sr V2 -","- Mn Na2 O8 Sr V2 -","- Mn4 Na8 O32 Sr4 V8 -","4","1","","Sanjeewa, Liurukara D.; McMillen, Colin D.; Willett, Daniel; Chumanov, George; Kolis, Joseph W.","Hydrothermal synthesis of single crystals of transition metal vanadates in the glaserite phase","Journal of Solid State Chemistry","2016","236","","61","68","10.1016/j.jssc.2015.07.039","","","0.71073","MoKα","","0.0249","0.023","","","0.0555","0.0572","","","","","","1.118","","","","has coordinates","263978","2021-04-08","08:40:15",""
"1561570","9.8594","0.0003","9.8594","0.0003","13.0211","0.0008","90","","90","","120","","1096.17","0.08","100","2","100","2","","","","","","","","4","P -3 c 1","-P 3 2""c","165","","","","- F30 Mg1.43 Na3.13 U6 -","- F30 Mg1.4342 Na3.1298 U6 -","- F60 Mg2.8684 Na6.2596 U12 -","2","0.166667","","Yeon, Jeongho; Smith, Mark D.; Tapp, Joshua; Möller, Angela; zur Loye, Hans-Conrad","Mild hydrothermal crystal growth of new uranium(IV) fluorides, Na3.13Mg1.43U6F30 and Na2.50Mn1.75U6F30: Structures, optical and magnetic properties","Journal of Solid State Chemistry","2016","236","","83","88","10.1016/j.jssc.2015.04.036","","","0.71073","MoKα","","0.0281","0.0256","","","0.0535","0.0542","","","","","","1.19","","","","has coordinates","263979","2021-04-08","08:44:38",""
"1561571","9.8578","0.0003","9.8578","0.0003","13.192","0.0008","90","","90","","120","","1110.2","0.08","100","2","100","2","","","","","","","","4","P -3 c 1","-P 3 2""c","165","","","","- F30 Mn1.75 Na2.5 U6 -","- F30 Mn1.746 Na2.5042 U6 -","- F60 Mn3.492 Na5.0084 U12 -","2","0.166667","","Yeon, Jeongho; Smith, Mark D.; Tapp, Joshua; Möller, Angela; zur Loye, Hans-Conrad","Mild hydrothermal crystal growth of new uranium(IV) fluorides, Na3.13Mg1.43U6F30 and Na2.50Mn1.75U6F30: Structures, optical and magnetic properties","Journal of Solid State Chemistry","2016","236","","83","88","10.1016/j.jssc.2015.04.036","","","0.71073","MoKα","","0.0362","0.0307","","","0.0687","0.0703","","","","","","1.19","","","","has coordinates","263979","2021-04-08","08:44:39",""
"1561572","9.5292","0.0002","9.5292","0.0002","9.5292","0.0002","90","","90","","90","","865.31","0.03","296","2","296","2","","","","","","","","3","I m -3 m","-I 4 2 3","229","","","","- Fe0.36 Mo2.64 Sb7 -","- Fe0.363 Mo2.637 Sb7 -","- Fe1.452 Mo10.548 Sb28 -","4","0.0416667","","Guo, Quansheng; Assoud, Abdeljalil; Kleinke, Holger","Different site occupancies in substitution variants of Mo3Sb7","Journal of Solid State Chemistry","2016","236","","123","129","10.1016/j.jssc.2015.08.017","","","0.71073","MoKα","","0.0174","0.0151","","","0.0412","0.0423","","","","","","1.125","","","","has coordinates","263980","2021-04-08","09:03:42",""
"1561573","9.5653","0.0004","9.5653","0.0004","9.5653","0.0004","90","","90","","90","","875.18","0.06","293","2","296","2","","","","","","","","3","I m -3 m","-I 4 2 3","229","","","","- Mo2.85 Ni0.21 Sb7 -","- Mo2.85 Ni0.21 Sb7 -","- Mo11.4 Ni0.84 Sb28 -","4","0.0416667","","Guo, Quansheng; Assoud, Abdeljalil; Kleinke, Holger","Different site occupancies in substitution variants of Mo3Sb7","Journal of Solid State Chemistry","2016","236","","123","129","10.1016/j.jssc.2015.08.017","","","0.71073","MoKα","","0.0178","0.0176","","","0.0402","0.0405","","","","","","1.571","","","","has coordinates","263980","2021-04-08","09:03:51",""
"1561574","13.0114","0.001","13.0114","0.001","9.0552","0.001","90","","90","","120","","1327.6","0.2","293","2","293","2","","","","","","","","3","P 63/m c m","-P 6c 2","193","Gd2 Ru3 Al15.09","","","- Al15.09 Gd2 Ru3 -","- Al15.0861 Gd2 Ru3 -","- Al60.3444 Gd8 Ru12 -","4","0.166667","","Morrison, Gregory; Prestigiacomo, Joseph; Haldolaarachchige, Neel; Rai, Binod K.; Young, David P.; Stadler, Shane; Morosan, Emilia; Chan, Julia Y.","Synthesis and anisotropic properties of single crystalline Ln2Ru3Al15+ (Ln=Gd, Tb)","Journal of Solid State Chemistry","2016","236","","186","194","10.1016/j.jssc.2015.08.009","","","0.71073","MoKα","","0.0265","0.0229","","","0.0512","0.0528","","","","","","1.128","","","","has coordinates","263981","2021-04-08","09:11:16",""
"1561575","13.0072","0.001","13.0072","0.001","9.0289","0.001","90","","90","","120","","1322.9","0.2","293","2","293","2","","","","","","","","3","P 63/m c m","-P 6c 2","193","Tb2 Ru3 Al15.05","","","- Al15.05 Ru3 Tb2 -","- Al15.0467 Ru3 Tb2 -","- Al60.187 Ru12 Tb8 -","4","0.166667","","Morrison, Gregory; Prestigiacomo, Joseph; Haldolaarachchige, Neel; Rai, Binod K.; Young, David P.; Stadler, Shane; Morosan, Emilia; Chan, Julia Y.","Synthesis and anisotropic properties of single crystalline Ln2Ru3Al15+ (Ln=Gd, Tb)","Journal of Solid State Chemistry","2016","236","","186","194","10.1016/j.jssc.2015.08.009","","","0.71073","MoKα","","0.0276","0.0229","","","0.0528","0.0548","","","","","","1.154","","","","has coordinates","263981","2021-04-08","09:11:17",""
"1561576","12.0163","0.0001","12.0163","0.0001","16.5396","0.0002","90","","90","","90","","2388.18","0.04","296","2","296","2","","","","","","","","3","I 4/m m m","-I 4 2","139","","","","- Ce11 Ge3.73 In6.27 -","- Ce11 Ge3.731 In6.269 -","- Ce44 Ge14.924 In25.076 -","4","0.125","","Jeon, Beom-Yong; Nam, Gnu; Lee, Dong Woo; Min Ok, Kang; You, Tae-Soo","Ce11Ge3.73(2)In6.27: Solid-state synthesis, crystal structure and site-preference","Journal of Solid State Chemistry","2016","236","","195","202","10.1016/j.jssc.2015.07.049","","","0.71073","MoKα","","0.0224","0.0203","","","0.0367","0.0371","","","","","","1.28","","","","has coordinates","263982","2021-04-08","09:35:03",""
"1561577","8.548","0.003","9.168","0.003","12.58","0.005","89.467","0.01","72.849","0.01","65.478","0.014","849.8","0.5","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C6 H19 N2 O11 P3 V2 -","- C6 H19 N2 O11 P3 V2 -","- C12 H38 N4 O22 P6 V4 -","2","1","","Nourmahnad, Anahita; Wenny, Malia B.; Zeller, Matthias; Schrier, Joshua; Norquist, Alexander J.","The role of inorganic acidity on templated vanadate composition and dimensionality","Journal of Solid State Chemistry","2016","236","","215","221","10.1016/j.jssc.2015.08.007","","","0.71073","MoKα","","0.0284","0.0272","","0.0715","0.071","0.0702","","","","","","1.0067","","","","has coordinates","263983","2021-04-08","09:39:02",""
"1561578","7.7302","0.0015","11.269","0.002","6.8439","0.0014","90","","107.9","0.03","90","","567.3","0.2","90","2","90","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","NH4CoCl2(HCOO)","NH4CoCl2(HCOO)","","- C H5 Cl2 Co N O2 -","- C H5 Cl2 Co N O2 -","- C4 H20 Cl8 Co4 N4 O8 -","4","0.5","","Greenfield, Joshua T.; Ovidiu Garlea, V.; Kamali, Saeed; Chen, Michael; Kovnir, Kirill","Synthesis, crystal growth, structural and magnetic characterization of NH4MCl2(HCOO), M=(Fe, Co, Ni)","Journal of Solid State Chemistry","2016","236","","222","229","10.1016/j.jssc.2015.09.016","","","0.71073","MoKα","","0.0159","0.0139","","","0.0326","0.0335","","","","","","1.104","","","","has coordinates","263984","2021-04-08","09:43:30",""
"1561579","7.598","0.0015","11.336","0.002","6.753","0.0014","90","","107.68","0.03","90","","554.2","0.2","90","2","90","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","NH4NiCl2(HCOO)","NH4NiCl2(HCOO)","","- C H5 Cl2 N Ni O2 -","- C H5 Cl2 N Ni O2 -","- C4 H20 Cl8 N4 Ni4 O8 -","4","0.5","","Greenfield, Joshua T.; Ovidiu Garlea, V.; Kamali, Saeed; Chen, Michael; Kovnir, Kirill","Synthesis, crystal growth, structural and magnetic characterization of NH4MCl2(HCOO), M=(Fe, Co, Ni)","Journal of Solid State Chemistry","2016","236","","222","229","10.1016/j.jssc.2015.09.016","","","0.71073","MoKα","","0.0171","0.0157","","","0.0386","0.0394","","","","","","1.112","","","","has coordinates","263984","2021-04-08","09:43:31",""
"1561580","105.224","0.004","12.2441","0.0005","17.0143","0.0006","90","","89.9905","0.0013","90","","21920.8","1.4","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C13.5 H6.75 Al O7.75 -","- C13.5 H6.75 Al O7.75 -","- C864 H432 Al64 O496 -","64","16","","Wang, Xiqu; Jacobson, Allan J.","Hydrothermal crystal growth and Vernier structures of the metal benzenedicarboxylates MIL-47 and MIL-53 containing guest molecules of benzenecarboxylic acid","Journal of Solid State Chemistry","2016","236","","230","235","10.1016/j.jssc.2015.08.014","","","1.54178","CuKα","","0.2643","0.1583","","","0.374","0.406","","","","","","0.993","","","","has coordinates,has disorder","263985","2021-04-08","09:54:21",""
"1561581","114.562","0.005","12.1503","0.0005","17.4275","0.0007","90","","89.999","0.001","90","","24258.4","1.8","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C13.65 H8.24 Ga O7.82 -","- C13.6471 H6.82353 Ga O7.82353 -","- C928 H464 Ga68 O532 -","68","34","","Wang, Xiqu; Jacobson, Allan J.","Hydrothermal crystal growth and Vernier structures of the metal benzenedicarboxylates MIL-47 and MIL-53 containing guest molecules of benzenecarboxylic acid","Journal of Solid State Chemistry","2016","236","","230","235","10.1016/j.jssc.2015.08.014","","","1.54178","CuKα","","0.2135","0.1473","","","0.3661","0.3981","","","","","","1.006","","","","has coordinates","263985","2021-04-08","09:54:24",""
"1561582","23.903","0.002","17.1907","0.0015","25.722","0.002","90","","105.914","0.0008","90","","10164.3","1.5","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C13.71 H6.86 O7.86 V -","- C13.7143 H6.85714 O7.85714 V -","- C384 H192 O220 V28 -","28","14","","Wang, Xiqu; Jacobson, Allan J.","Hydrothermal crystal growth and Vernier structures of the metal benzenedicarboxylates MIL-47 and MIL-53 containing guest molecules of benzenecarboxylic acid","Journal of Solid State Chemistry","2016","236","","230","235","10.1016/j.jssc.2015.08.014","","","0.71073","MoKα","","0.1481","0.0361","","","0.0788","0.0964","","","","","","0.96","","","","has coordinates","263985","2021-04-08","09:54:24",""
"1561591","9.7205","0.0013","9.7205","0.0013","7.1987","0.001","90","","90","","120","","589.06","0.14","293","","293","","","","","","","","","3","P 63/m","-P 6c","176","","","","- La9.48 O26 Si5.89 -","- La9.484 O26 Si5.886 -","- La9.484 O26 Si5.886 -","1","0.0833333","","Fukuda, Koichiro; Hasegawa, Ryo; Kitagawa, Takuya; Nakamori, Hiroshi; Asaka, Toru; Berghout, Abid; Béchade, Emilie; Masson, Olivier; Jouin, Jenny; Thomas, Philippe","Well-aligned polycrystalline lanthanum silicate oxyapatite grown by reactive diffusion between solid La2SiO5 and gases [SiO+1/2O2]","Journal of Solid State Chemistry","2016","235","","1","6","10.1016/j.jssc.2015.12.007","","x-ray","0.71073","MoKα","","0.0273","0.0169","","","0.0201","0.0215","","","","1.17","1.17","1.12","","","","has coordinates","264002","2021-04-09","07:27:54",""
"1561592","8.785","0.0002","8.785","0.0002","22.6496","0.0003","90","","90","","120","","1513.82","0.05","298","","293","","","","","","","","","5","R 3 2 :H","R 3 2""","155","","","","- Ca Mn0.5 O12 P3 Zr1.5 -","- Ca0.232 Mn0.182 O12 P1.5 Zr0.5 -","- Ca1.392 Mn1.092 O72 P9 Zr3 -","6","0.333333","","Orlova, Maria; Perfler, Lukas; Tribus, Martina; Salnikov, Petr; Glorieux, Benoit; Orlova, Albina","Temperature induced phase transition of CaMn0.5Zr1.5(PO4)3 phosphate","Journal of Solid State Chemistry","2016","235","","36","42","10.1016/j.jssc.2015.12.014","powder diffraction","","","X-ray","","","","","","","","","3.3264","","","","","","","","has coordinates","264003","2021-04-09","07:43:00",""
"1561593","6.235","0.0003","6.6281","0.0003","14.4731","0.0006","90","","90","","90","","598.12","0.05","298","","283","","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- Ca0.66 Mn0.33 O8 P2 Zr -","- Ca0.66 Mn0.33 O8 P2 Zr -","- Ca2.64 Mn1.32 O32 P8 Zr4 -","4","0.5","","Orlova, Maria; Perfler, Lukas; Tribus, Martina; Salnikov, Petr; Glorieux, Benoit; Orlova, Albina","Temperature induced phase transition of CaMn0.5Zr1.5(PO4)3 phosphate","Journal of Solid State Chemistry","2016","235","","36","42","10.1016/j.jssc.2015.12.014","powder diffraction","","","X-ray","","","","","","","","","5.838","","","","","","","","has coordinates","264003","2021-04-09","07:43:00",""
"1561594","9.9764","0.0001","9.9764","0.0001","14.4844","0.0003","90","","90","","120","","1248.47","0.03","296","2","296","2","","","","","","","","4","P 63/m c m","-P 6c 2","193","","","","- K3 O7 Si2 Sm -","- K3 O7 Si2 Sm -","- K18 O42 Si12 Sm6 -","6","0.25","","Latshaw, Allison M.; Yeon, Jeongho; Smith, Mark D.; zur Loye, Hans-Conrad","Synthesis, structure, and polymorphism of A3LnSi2O7 (A=Na, K; Ln=Sm, Ho, Yb)","Journal of Solid State Chemistry","2016","235","","100","106","10.1016/j.jssc.2015.12.013","","","0.71073","MoKα","","0.0354","0.0279","","","0.0733","0.0766","","","","","","1.184","","","","has coordinates","264004","2021-04-09","07:52:42",""
"1561595","9.4233","0.0001","9.4233","0.0001","13.7882","0.0003","90","","90","","120","","1060.34","0.03","294","2","294","2","","","","","","","","4","P 63/m","-P 6c","176","","","","- Ho Na3 O7 Si2 -","- Ho Na3 O7 Si2 -","- Ho6 Na18 O42 Si12 -","6","0.5","","Latshaw, Allison M.; Yeon, Jeongho; Smith, Mark D.; zur Loye, Hans-Conrad","Synthesis, structure, and polymorphism of A3LnSi2O7 (A=Na, K; Ln=Sm, Ho, Yb)","Journal of Solid State Chemistry","2016","235","","100","106","10.1016/j.jssc.2015.12.013","","","0.71073","MoKα","","0.019","0.0187","","","0.0442","0.0443","","","","","","1.231","","","","has coordinates","264005","2021-04-09","07:53:39",""
"1561596","9.377","0.0002","9.377","0.0002","13.7187","0.0004","90","","90","","120","","1044.65","0.04","294","2","294.15","","","","","","","","","4","P 63/m","-P 6c","176","","","","- Na3 O7 Si2 Yb -","- Na3 O7 Si2 Yb -","- Na18 O42 Si12 Yb6 -","6","0.5","","Latshaw, Allison M.; Yeon, Jeongho; Smith, Mark D.; zur Loye, Hans-Conrad","Synthesis, structure, and polymorphism of A3LnSi2O7 (A=Na, K; Ln=Sm, Ho, Yb)","Journal of Solid State Chemistry","2016","235","","100","106","10.1016/j.jssc.2015.12.013","","","0.71073","MoKα","","0.0143","0.0142","","","0.0349","0.0349","","","","","","1.273","","","","has coordinates","264006","2021-04-09","07:54:57",""
"1561597","16.2081","0.0002","16.2081","0.0002","13.7077","0.0004","90","","90","","120","","3118.6","0.11","296","2","296","2","","","","","","","","4","P 3 1 c","P 3 -2c","159","","","","- Na3 O7 Si2 Yb -","- Na3 O7 Si2 Yb -","- Na54 O126 Si36 Yb18 -","18","3","","Latshaw, Allison M.; Yeon, Jeongho; Smith, Mark D.; zur Loye, Hans-Conrad","Synthesis, structure, and polymorphism of A3LnSi2O7 (A=Na, K; Ln=Sm, Ho, Yb)","Journal of Solid State Chemistry","2016","235","","100","106","10.1016/j.jssc.2015.12.013","","","0.71073","MoKα","","0.0256","0.0241","","","0.053","0.0536","","","","","","1.069","","","","has coordinates","264007","2021-04-09","07:57:45",""
"1561598","11.7187","0.0009","11.8894","0.0009","12.8895","0.001","76.098","0.001","72.933","0.001","63.313","0.001","1521.5","0.2","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C12 H60 N12 O50 V10 Zn3 -","- C12 H16 N12 O50 V10 Zn3 -","- C12 H16 N12 O50 V10 Zn3 -","1","0.5","","Wang, Mo; Sun, Wenlong; Pang, Haijun; Ma, Huiyuan; Yu, Jia; Zhang, Zhuanfang; Niu, Ying; Yin, Mingming","Tuning the microstructures of decavanadate-based supramolecular hybrids via regularly changing the spacers of bis(triazole) ligands","Journal of Solid State Chemistry","2016","235","","175","182","10.1016/j.jssc.2015.12.033","","","0.71073","MoKα","","0.0821","0.0601","","","0.2036","0.2219","","","","","","0.904","","","","has coordinates","264009","2021-04-09","08:07:57",""
"1561599","9.951","0.005","10.817","0.005","15.729","0.005","78.366","0.005","81.2","0.005","78.845","0.005","1615.5","1.2","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C28 H62 N24 O38 V10 Zn2 -","- C28 H40 N24 O38 V10 Zn2 -","- C28 H40 N24 O38 V10 Zn2 -","1","0.5","","Wang, Mo; Sun, Wenlong; Pang, Haijun; Ma, Huiyuan; Yu, Jia; Zhang, Zhuanfang; Niu, Ying; Yin, Mingming","Tuning the microstructures of decavanadate-based supramolecular hybrids via regularly changing the spacers of bis(triazole) ligands","Journal of Solid State Chemistry","2016","235","","175","182","10.1016/j.jssc.2015.12.033","","","0.71069","MoKα","","0.0477","0.0429","","","0.177","0.1827","","","","","","1.172","","","","has coordinates","264009","2021-04-09","08:07:58",""
"1561600","10.838","0.005","11.934","0.005","12.293","0.005","94.944","0.005","111.881","0.005","107.708","0.005","1369.3","1","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C16 H56 N12 O44 V10 Zn3 -","- C16 H24 N12 O44 V10 Zn3 -","- C16 H24 N12 O44 V10 Zn3 -","1","0.5","","Wang, Mo; Sun, Wenlong; Pang, Haijun; Ma, Huiyuan; Yu, Jia; Zhang, Zhuanfang; Niu, Ying; Yin, Mingming","Tuning the microstructures of decavanadate-based supramolecular hybrids via regularly changing the spacers of bis(triazole) ligands","Journal of Solid State Chemistry","2016","235","","175","182","10.1016/j.jssc.2015.12.033","","","0.71069","MoKα","","0.0478","0.0414","","","0.1444","0.1491","","","","","","1.154","","","","has coordinates","264009","2021-04-09","08:08:01",""
"1561601","8.871","0.005","10.213","0.005","15.85","0.005","74.234","0.005","86.443","0.005","66.979","0.005","1270.3","1","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C10 H50 N6 O44 V10 Zn2 -","- C10 H4 N6 O44 V10 Zn2 -","- C10 H4 N6 O44 V10 Zn2 -","1","0.5","","Wang, Mo; Sun, Wenlong; Pang, Haijun; Ma, Huiyuan; Yu, Jia; Zhang, Zhuanfang; Niu, Ying; Yin, Mingming","Tuning the microstructures of decavanadate-based supramolecular hybrids via regularly changing the spacers of bis(triazole) ligands","Journal of Solid State Chemistry","2016","235","","175","182","10.1016/j.jssc.2015.12.033","","","0.71069","MoKα","","0.0743","0.0513","","","0.1551","0.1663","","","","","","1.036","","","","has coordinates","264009","2021-04-09","08:08:01",""
"1561602","20.98","0.006","8.775","0.002","12.523","0.003","90","","121.053","0.014","90","","1975.1","0.9","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C6 H20 As2 Mn3 N4 S6 -","- C6 H20 As2 Mn3 N4 S6 -","- C24 H80 As8 Mn12 N16 S24 -","4","0.5","","Yue, Cheng-Yang; Lei, Xiao-Wu; Tian, Ya-Wei; Xu, Jing; Bai, Yi-Qun; Wang, Fei; Zhou, Peng-Fei; Liu, Xiao-Fan; Yi, Fei-Yan","Unsaturated Mn complex decorated hybrid thioarsenates: Syntheses, crystal structures and physical properties","Journal of Solid State Chemistry","2016","235","","183","192","10.1016/j.jssc.2016.01.003","","","0.71073","MoKα","","0.0312","0.0234","","","0.0533","0.0565","","","","","","1.028","","","","has coordinates","264010","2021-04-09","08:13:36",""
"1561603","6.9653","0.0005","10.4907","0.0008","10.9343","0.0008","86.688","0.001","87.022","0.001","87.187","0.001","795.72","0.1","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C12 H40 As2 Mn3 N8 S8 -","- C12 H40 As2 Mn3 N8 S8 -","- C12 H40 As2 Mn3 N8 S8 -","1","0.5","","Yue, Cheng-Yang; Lei, Xiao-Wu; Tian, Ya-Wei; Xu, Jing; Bai, Yi-Qun; Wang, Fei; Zhou, Peng-Fei; Liu, Xiao-Fan; Yi, Fei-Yan","Unsaturated Mn complex decorated hybrid thioarsenates: Syntheses, crystal structures and physical properties","Journal of Solid State Chemistry","2016","235","","183","192","10.1016/j.jssc.2016.01.003","","","0.71073","MoKα","","0.0347","0.0268","","","0.0635","0.0667","","","","","","1.019","","","","has coordinates","264010","2021-04-09","08:13:37",""
"1561604","10.8233","0.0006","13.2009","0.0007","22.2516","0.0012","90","","90","","90","","3179.2","0.3","296","2","296","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C10 H12 As Mn N3 S4 -","- C10 H12 As Mn N3 S4 -","- C80 H96 As8 Mn8 N24 S32 -","8","1","","Yue, Cheng-Yang; Lei, Xiao-Wu; Tian, Ya-Wei; Xu, Jing; Bai, Yi-Qun; Wang, Fei; Zhou, Peng-Fei; Liu, Xiao-Fan; Yi, Fei-Yan","Unsaturated Mn complex decorated hybrid thioarsenates: Syntheses, crystal structures and physical properties","Journal of Solid State Chemistry","2016","235","","183","192","10.1016/j.jssc.2016.01.003","","","0.71073","MoKα","","0.0274","0.02","","","0.0442","0.0465","","","","","","1.029","","","","has coordinates","264010","2021-04-09","08:13:37",""
"1561605","7.443","0.005","12.944","0.008","17.427","0.011","97.569","0.008","91.174","0.009","100.378","0.009","1635.4","1.8","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C24 H30 Ag2 Ho N5 O18 -","- C24 H30 Ag2 Ho N5 O18 -","- C48 H60 Ag4 Ho2 N10 O36 -","2","1","","Jin, Jing; Chen, Chong; Gao, Yan; Zhao, Ran; Wang, Xiuyan; Lü, Chunxin; Chi, Yuxian; Niu, Shuyun","Synthesis, structure, and luminescence property of a series of Ag‒Ln coordination polymers with the N-heterocyclic carboxylato ligand","Journal of Solid State Chemistry","2016","235","","193","201","10.1016/j.jssc.2016.01.001","","","0.71073","MoKα","","0.1001","0.0627","","","0.1497","0.1688","","","","","","1.059","","","","has coordinates","264011","2021-04-09","08:26:20",""
"1561606","7.4763","0.0014","13.001","0.002","17.404","0.003","97.365","0.003","91.549","0.003","100.476","0.002","1647.5","0.5","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C24 H30 Ag2 N5 O18 Tb -","- C24 H30 Ag2 N5 O18 Tb -","- C48 H60 Ag4 N10 O36 Tb2 -","2","1","","Jin, Jing; Chen, Chong; Gao, Yan; Zhao, Ran; Wang, Xiuyan; Lü, Chunxin; Chi, Yuxian; Niu, Shuyun","Synthesis, structure, and luminescence property of a series of Ag‒Ln coordination polymers with the N-heterocyclic carboxylato ligand","Journal of Solid State Chemistry","2016","235","","193","201","10.1016/j.jssc.2016.01.001","","","0.71073","MoKα","","0.0694","0.0502","","","0.1119","0.121","","","","","","1.047","","","","has coordinates","264011","2021-04-09","08:26:23",""
"1561607","16.9915","0.0013","24.799","0.0019","6.7833","0.0005","90","","95.784","0.001","90","","2843.7","0.4","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C24 H22 Ag2 N5 O14 Pr -","- C24 H22 Ag2 N5 O14 Pr -","- C96 H88 Ag8 N20 O56 Pr4 -","4","1","","Jin, Jing; Chen, Chong; Gao, Yan; Zhao, Ran; Wang, Xiuyan; Lü, Chunxin; Chi, Yuxian; Niu, Shuyun","Synthesis, structure, and luminescence property of a series of Ag‒Ln coordination polymers with the N-heterocyclic carboxylato ligand","Journal of Solid State Chemistry","2016","235","","193","201","10.1016/j.jssc.2016.01.001","","","0.71073","MoKα","","0.0304","0.0254","","","0.0626","0.0647","","","","","","1.072","","","","has coordinates","264011","2021-04-09","08:26:25",""
"1561608","7.253","0.003","10.436","0.004","11.639","0.004","100.616","0.005","101.063","0.004","95.708","0.004","841.5","0.6","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C14 H6 Ag Eu N2 O8 -","- C14 H6 Ag Eu N2 O8 -","- C28 H12 Ag2 Eu2 N4 O16 -","2","1","","Jin, Jing; Chen, Chong; Gao, Yan; Zhao, Ran; Wang, Xiuyan; Lü, Chunxin; Chi, Yuxian; Niu, Shuyun","Synthesis, structure, and luminescence property of a series of Ag‒Ln coordination polymers with the N-heterocyclic carboxylato ligand","Journal of Solid State Chemistry","2016","235","","193","201","10.1016/j.jssc.2016.01.001","","","0.71073","MoKα","","0.0776","0.0645","","","0.1894","0.1979","","","","","","1.103","","","","has coordinates","264011","2021-04-09","08:26:27",""
"1561609","7.3526","0.0006","10.4329","0.0009","11.6089","0.0009","99.124","0.001","100.888","0.001","96.428","0.001","854.11","0.12","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C14 H6 Ag N2 O8 Pr -","- C14 H6 Ag N2 O8 Pr -","- C28 H12 Ag2 N4 O16 Pr2 -","2","1","","Jin, Jing; Chen, Chong; Gao, Yan; Zhao, Ran; Wang, Xiuyan; Lü, Chunxin; Chi, Yuxian; Niu, Shuyun","Synthesis, structure, and luminescence property of a series of Ag‒Ln coordination polymers with the N-heterocyclic carboxylato ligand","Journal of Solid State Chemistry","2016","235","","193","201","10.1016/j.jssc.2016.01.001","","","0.71073","MoKα","","0.0469","0.0436","","","0.1305","0.1322","","","","","","1.113","","","","has coordinates","264011","2021-04-09","08:26:27",""
"1561610","7.052","0.006","22.093","0.018","11.769","0.01","90","","90","","90","","1834","3","296","2","296","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C18 H12 Ag N4 Nd O10 -","- C18 H12 Ag N4 Nd O10 -","- C72 H48 Ag4 N16 Nd4 O40 -","4","1","","Jin, Jing; Chen, Chong; Gao, Yan; Zhao, Ran; Wang, Xiuyan; Lü, Chunxin; Chi, Yuxian; Niu, Shuyun","Synthesis, structure, and luminescence property of a series of Ag‒Ln coordination polymers with the N-heterocyclic carboxylato ligand","Journal of Solid State Chemistry","2016","235","","193","201","10.1016/j.jssc.2016.01.001","","","0.71073","MoKα","","0.0974","0.0709","","","0.1724","0.1852","","","","","","1.075","","","","has coordinates","264011","2021-04-09","08:26:27",""
"1561611","7.3569","0.0003","11.7726","0.0004","14.2107","0.0005","78.379","0.002","87.424","0.002","86.612","0.002","1202.76","0.08","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H18 F6 Fe N2 -","- C30 H18 F6 Fe N2 -","- C60 H36 F12 Fe2 N4 -","2","1","","Ombaka, L.M.; Ndungu, P.G.; Omondi, B.; McGettrick, J.D.; Davies, M.L.; Nyamori, V.O.","A facile approach towards increasing the nitrogen-content in nitrogen-doped carbon nanotubes via halogenated catalysts","Journal of Solid State Chemistry","2016","235","","202","211","10.1016/j.jssc.2016.01.007","","x-ray","0.71073","MoKα","","0.0707","0.0699","","","0.1778","0.1782","","","","","","1.113","","","","has coordinates,has disorder","264012","2021-04-09","08:30:55",""
"1561612","14.243","0.002","4.1937","0.0007","14.647","0.002","90","","116.095","0.002","90","","785.7","0.2","296","2","296","2","","","","","","","","4","C 1 2/m 1","-C 2y","12","","","","- Bi Cu0.5 I0.5 Se1.5 -","- Bi Cu0.479 I0.5 Se1.5 -","- Bi8 Cu3.832 I4 Se12 -","8","1","","Liang, I-Chu; Bilc, Daniel I.; Manoli, Maria; Chang, Wei-Yun; Lin, Wen-Fu; Kyratsi, Theodora; Hsu, Kuei-Fang","Syntheses, crystal Structures and electronic Structures of new metal chalcoiodides Bi2CuSe3I and Bi6Cu3S10I","Journal of Solid State Chemistry","2016","234","","1","8","10.1016/j.jssc.2015.09.030","","","0.71073","MoKα","","0.0353","0.0305","","","0.0712","0.0737","","","","","","1.072","","","","has coordinates","264013","2021-04-09","08:39:08",""
"1561613","17.4761","0.0016","4.0078","0.0004","27.391","0.002","90","","90","","90","","1918.5","0.3","296","2","296","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- Bi3 Cu1.5 I0.5 S5 -","- Bi3 Cu1.5 I0.5 S5 -","- Bi24 Cu12 I4 S40 -","8","1","","Liang, I-Chu; Bilc, Daniel I.; Manoli, Maria; Chang, Wei-Yun; Lin, Wen-Fu; Kyratsi, Theodora; Hsu, Kuei-Fang","Syntheses, crystal Structures and electronic Structures of new metal chalcoiodides Bi2CuSe3I and Bi6Cu3S10I","Journal of Solid State Chemistry","2016","234","","1","8","10.1016/j.jssc.2015.09.030","","","0.71073","MoKα","","0.0407","0.0371","","","0.0865","0.0884","","","","","","1.074","","","","has coordinates","264013","2021-04-09","08:39:08",""
"1561614","7.2208","0.0012","8.5351","0.0014","8.8698","0.0015","90","","107.41","0.03","90","","521.61","0.17","200","2","200","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- Ba Cl F Mn O4 P -","- Ba Cl F Mn O4 P -","- Ba4 Cl4 F4 Mn4 O16 P4 -","4","1","","Pei, Da-Ting; Sun, Wei; Huang, Ya-Xi; Sun, Zhi-Mei; Pan, Yuanming; Mi, Jin-Xiao","Novel phosphate halides BaMnIII[PO4]FCl and BaMnIII[PO4]F2: Effects of mixed halides on crystal structures and magnetic properties","Journal of Solid State Chemistry","2016","234","","29","35","10.1016/j.jssc.2015.11.023","","","0.71073","MoKα","","0.0214","0.0209","","","0.053","0.0533","","","","","","1.067","","","","has coordinates","264014","2021-04-09","08:44:48",""
"1561615","5.1463","0.0009","12.691","0.002","7.8709","0.0014","90","","116.24","0.03","90","","461.09","0.18","200","2","200","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- Ba F2 Mn O4 P -","- Ba F2 Mn O4 P -","- Ba4 F8 Mn4 O16 P4 -","4","1","","Pei, Da-Ting; Sun, Wei; Huang, Ya-Xi; Sun, Zhi-Mei; Pan, Yuanming; Mi, Jin-Xiao","Novel phosphate halides BaMnIII[PO4]FCl and BaMnIII[PO4]F2: Effects of mixed halides on crystal structures and magnetic properties","Journal of Solid State Chemistry","2016","234","","29","35","10.1016/j.jssc.2015.11.023","","","0.71073","MoKα","","0.0402","0.0358","","","0.0935","0.0961","","","","","","1.043","","","","has coordinates","264014","2021-04-09","08:44:48",""
"1561616","7.8741","0.0011","9.0834","0.0013","19.283","0.003","101.181","0.002","92.501","0.002","111.959","0.002","1244.6","0.3","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C20 H24 Cd N4 O12 S -","- C20 H24 Cd N4 O12 S -","- C40 H48 Cd2 N8 O24 S2 -","2","1","","Ren, Yixia; Chai, Hongmei; Tang, Long; Hou, Xiangyang; Wang, Jijiang","Structural diversity and fluorescence properties of three 2-sulfoterephthalate CdII/ZnII coordination polymers employing 1,4-bisbenzimidazole","Journal of Solid State Chemistry","2016","234","","103","109","10.1016/j.jssc.2015.12.001","","","0.71073","MoKα","","0.0553","0.0428","","","0.1056","0.1172","","","","","","1.054","","","","has coordinates","264015","2021-04-09","08:52:54",""
"1561617","14.373","0.002","38.22","0.005","9.0099","0.0012","90","","90","","90","","4949.5","1.2","296","2","296","2","","","","","","","","6","A e a 2","A 2 -2ab","41","","","","- C20 H19 Cd1.5 N4 O10 S -","- C20 H19 Cd1.5 N4 O10 S -","- C160 H152 Cd12 N32 O80 S8 -","8","1","","Ren, Yixia; Chai, Hongmei; Tang, Long; Hou, Xiangyang; Wang, Jijiang","Structural diversity and fluorescence properties of three 2-sulfoterephthalate CdII/ZnII coordination polymers employing 1,4-bisbenzimidazole","Journal of Solid State Chemistry","2016","234","","103","109","10.1016/j.jssc.2015.12.001","","","0.71073","MoKα","","0.0208","0.0184","","","0.047","0.0573","","","","","","1.127","","","","has coordinates","264015","2021-04-09","08:52:55",""
"1561618","10.0991","0.0006","15.9353","0.0009","20.1512","0.0011","90","","93.981","0.002","90","","3235.2","0.3","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C26 H21 N6 O15 S Zn2 -","- C26 H21 N6 O15 S Zn2 -","- C104 H84 N24 O60 S4 Zn8 -","4","1","","Ren, Yixia; Chai, Hongmei; Tang, Long; Hou, Xiangyang; Wang, Jijiang","Structural diversity and fluorescence properties of three 2-sulfoterephthalate CdII/ZnII coordination polymers employing 1,4-bisbenzimidazole","Journal of Solid State Chemistry","2016","234","","103","109","10.1016/j.jssc.2015.12.001","","","0.71073","MoKα","","0.0512","0.0377","","","0.0973","0.1044","","","","","","1.032","","","","has coordinates,has disorder","264015","2021-04-09","08:52:55",""
"1561619","7.036","0.0002","7.5483","0.0002","5.4672","0.0001","90","","90","","90","","290.362","0.012","100","2","100","2","","","","","","","","3","P b c m","-P 2c 2b","57","Er3USe8","","","- Er3 Se8 U -","- Er3 Se8 U -","- Er3 Se8 U -","1","0.125","","Prakash, Jai; Mesbah, Adel; Beard, Jessica C.; Malliakas, Christos D.; Ibers, James A.","Syntheses, crystal structures, and resistivities of the two new ternary uranium selenides, Er3USe8 and Yb3USe8","Journal of Solid State Chemistry","2016","233","","90","94","10.1016/j.jssc.2015.10.003","","","0.71073","MoKα","","0.0093","0.0088","","","0.0208","0.021","","","","","","1.233","","","","has coordinates","264016","2021-04-09","09:11:53",""
"1561620","6.9937","0.0002","7.4807","0.0002","5.4967","0.0002","90","","90","","90","","287.575","0.015","100","2","100","2","","","","","","","","3","P b c m","-P 2c 2b","57","Yb3USe8","","","- Se8 U Yb3 -","- Se8 U Yb3 -","- Se8 U Yb3 -","1","0.125","","Prakash, Jai; Mesbah, Adel; Beard, Jessica C.; Malliakas, Christos D.; Ibers, James A.","Syntheses, crystal structures, and resistivities of the two new ternary uranium selenides, Er3USe8 and Yb3USe8","Journal of Solid State Chemistry","2016","233","","90","94","10.1016/j.jssc.2015.10.003","","","0.71073","MoKα","","0.0139","0.0134","","","0.0315","0.0317","","","","","","1.728","","","","has coordinates","264016","2021-04-09","09:12:03",""
"1561621","18.045","0.005","11.49","0.004","15.228","0.005","90","","90","","90","","3157.3","1.7","296","2","296","2","","","","","","","","5","P n n a","-P 2a 2bc","52","","","","- C40 H20 Ca N8 O4 -","- C40 H20 Ca N8 O4 -","- C160 H80 Ca4 N32 O16 -","4","0.5","","Lian, Chen; Liu, Liu; Guo, Xu; Long, Yinshuang; Jia, Shanshan; Li, Huanhuan; Yang, Lirong","Honeycomb-shaped coordination polymers based on the self-assembly of long flexible ligands and alkaline-earth ions","Journal of Solid State Chemistry","2016","233","","229","235","10.1016/j.jssc.2015.10.034","","","0.71073","MoKα","","0.049","0.0405","","","0.1215","0.1269","","","","","","1.078","","","","has coordinates","264017","2021-04-09","09:25:10",""
"1561622","18.0519","0.0011","11.7574","0.0007","15.2235","0.0009","90","","90","","90","","3231.1","0.3","296","2","296","2","","","","","","","","5","P n n a","-P 2a 2bc","52","","","","- C40 H22 N8 O4 Sr -","- C40 H22 N8 O4 Sr -","- C160 H88 N32 O16 Sr4 -","4","0.5","","Lian, Chen; Liu, Liu; Guo, Xu; Long, Yinshuang; Jia, Shanshan; Li, Huanhuan; Yang, Lirong","Honeycomb-shaped coordination polymers based on the self-assembly of long flexible ligands and alkaline-earth ions","Journal of Solid State Chemistry","2016","233","","229","235","10.1016/j.jssc.2015.10.034","","","0.71073","MoKα","","0.0566","0.0423","","","0.1301","0.1364","","","","","","1.062","","","","has coordinates","264017","2021-04-09","09:25:20",""
"1561623","13.373","0.001","7.519","0.001","7.519","0.001","90","","90","","90","","756.05","0.15","200","","200","","","","","","","","","4","I m a 2","I 2 -2a","46","","","","- Ce2 Cu S5 Sb -","- Ce2 Cu S5 Sb -","- Ce8 Cu4 S20 Sb4 -","4","0.5","","Kussainova, Ardak M.; Akselrud, Lev G.; Suen, Nian-Tzu; Voss, Leonard; Stoyko, Stanislav; Bobev, Svilen","Synthesis, crystal and electronic structure of the quaternary sulfides Ln2CuMS5 (Ln=La, Ce; M=Sb, Bi)","Journal of Solid State Chemistry","2016","233","","269","276","10.1016/j.jssc.2015.10.039","","","0.71073","MoKα","","","0.0663","","","","0.0676","","","","","","1","","","","has coordinates","264018","2021-04-09","09:33:11",""
"1561624","7.171","0.0015","7.6105","0.0017","7.8242","0.0017","115.752","0.017","93.948","0.017","107.64","0.017","356.37","0.16","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C12 H8 Cl2 Hg N6 -","- C12 H8 Cl2 Hg N6 -","- C12 H8 Cl2 Hg N6 -","1","0.5","","Saghatforoush, Lotfali; Khoshtarkib, Zeinab; Amani, Vahid; Bakhtiari, Akbar; Hakimi, Mohammad; Keypour, Hassan","One-dimensional mercury(II) halide coordination polymers of 3,6-bis(2-pyridyl)-1,2,4,5-tetrazine ligand: Synthesis, crystal structure, spectroscopic and DFT studies","Journal of Solid State Chemistry","2016","233","","311","319","10.1016/j.jssc.2015.11.002","","","0.71073","MoKα","","0.0656","0.0606","","","0.1637","0.1818","","","","","","1.157","","","","has coordinates","264019","2021-04-09","09:45:11",""
"1561625","7.366","0.0011","7.6676","0.0011","7.8964","0.0013","115.26","0.011","93.94","0.013","107.423","0.012","374.73","0.12","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C12 H8 Br2 Hg N6 -","- C12 H8 Br2 Hg N6 -","- C12 H8 Br2 Hg N6 -","1","0.5","","Saghatforoush, Lotfali; Khoshtarkib, Zeinab; Amani, Vahid; Bakhtiari, Akbar; Hakimi, Mohammad; Keypour, Hassan","One-dimensional mercury(II) halide coordination polymers of 3,6-bis(2-pyridyl)-1,2,4,5-tetrazine ligand: Synthesis, crystal structure, spectroscopic and DFT studies","Journal of Solid State Chemistry","2016","233","","311","319","10.1016/j.jssc.2015.11.002","","","0.71073","MoKα","","0.0464","0.0435","","","0.1145","0.1159","","","","","","1.035","","","","has coordinates","264019","2021-04-09","09:45:11",""
"1561626","7.2383","0.0012","8.2046","0.0015","9.8317","0.0018","86.452","0.015","78.654","0.014","64.386","0.012","516.03","0.17","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C12 H8 Hg2 I4 N6 -","- C12 H8 Hg2 I4 N6 -","- C12 H8 Hg2 I4 N6 -","1","0.5","","Saghatforoush, Lotfali; Khoshtarkib, Zeinab; Amani, Vahid; Bakhtiari, Akbar; Hakimi, Mohammad; Keypour, Hassan","One-dimensional mercury(II) halide coordination polymers of 3,6-bis(2-pyridyl)-1,2,4,5-tetrazine ligand: Synthesis, crystal structure, spectroscopic and DFT studies","Journal of Solid State Chemistry","2016","233","","311","319","10.1016/j.jssc.2015.11.002","","","0.71073","MoKα","","0.0557","0.0495","","","0.1362","0.1401","","","","","","1.004","","","","has coordinates","264019","2021-04-09","09:45:12",""
"1561627","11.075","0.0011","13.7569","0.0013","21.5561","0.0019","89.381","0.002","83.773","0.001","69.403","0.001","3054.8","0.5","298","2","298","2","","","","","","","","8","P -1","-P 1","2","","","","- C60 H72 Cu2 N24 Na O90 P2 W24 -","- C60 H72 Cu2 N24 Na O90 P2 W24 -","- C60 H72 Cu2 N24 Na O90 P2 W24 -","1","0.5","","Li, Na; Huang, Rudan","Six new inorganic‒organic hybrids based on rigid triangular ligands: Syntheses, structures and properties","Journal of Solid State Chemistry","2016","233","","320","328","10.1016/j.jssc.2015.11.009","","","0.71073","MoKα","","0.1056","0.0794","","","0.2193","0.2354","","","","","","1.038","","","","has coordinates,has disorder","264020","2021-04-09","09:54:11",""
"1561628","11.1","0.0009","13.8139","0.0011","21.6501","0.0018","89.362","0.002","83.7","0.001","69.377","0.001","3086.9","0.4","298","2","298","2","","","","","","","","8","P -1","-P 1","2","","","","- C30 H30 Cl2 Cu1.5 N12 O42 P W12 -","- C30 H30 Cl2 Cu1.5 N12 O42 P W12 -","- C60 H60 Cl4 Cu3 N24 O84 P2 W24 -","2","1","","Li, Na; Huang, Rudan","Six new inorganic‒organic hybrids based on rigid triangular ligands: Syntheses, structures and properties","Journal of Solid State Chemistry","2016","233","","320","328","10.1016/j.jssc.2015.11.009","","","0.71073","MoKα","","0.1312","0.1064","","","0.2879","0.3078","","","","","","1.044","","","","has coordinates","264020","2021-04-09","09:54:13",""
"1561629","10.823","0.0009","13.1109","0.0011","13.1481","0.0012","111.807","0.003","100.856","0.002","107.61","0.002","1552.8","0.2","298","2","298","2","","","","","","","","7","P -1","-P 1","2","","","","- C30 H34 Co N12 O43 P W12 -","- C30 H34 Co N12 O43 P W12 -","- C30 H34 Co N12 O43 P W12 -","1","0.5","","Li, Na; Huang, Rudan","Six new inorganic‒organic hybrids based on rigid triangular ligands: Syntheses, structures and properties","Journal of Solid State Chemistry","2016","233","","320","328","10.1016/j.jssc.2015.11.009","","","0.71073","MoKα","","0.1478","0.1207","","","0.3116","0.3286","","","","","","1.096","","","","has coordinates","264020","2021-04-09","09:54:13",""
"1561630","9.6424","0.0009","10.1504","0.0011","19.7263","0.0017","78.061","0.001","87.283","0.002","78.011","0.001","1847.7","0.3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C30 H30 Cu2 Mo2 N12 O11 -","- C30 H30 Cu2 Mo2 N12 O11 -","- C60 H60 Cu4 Mo4 N24 O22 -","2","1","","Li, Na; Huang, Rudan","Six new inorganic‒organic hybrids based on rigid triangular ligands: Syntheses, structures and properties","Journal of Solid State Chemistry","2016","233","","320","328","10.1016/j.jssc.2015.11.009","","","0.71073","MoKα","","0.1533","0.0725","","","0.1169","0.1595","","","","","","1.018","","","","has coordinates","264020","2021-04-09","09:54:14",""
"1561631","9.0268","0.0008","15.4589","0.0012","16.1191","0.0014","115.883","0.002","102.685","0.001","93.478","0.001","1942.7","0.3","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C40 H28 Mn Mo4 N8 O13 -","- C40 H28 Mn Mo4 N8 O13 -","- C80 H56 Mn2 Mo8 N16 O26 -","2","1","","Li, Na; Huang, Rudan","Six new inorganic‒organic hybrids based on rigid triangular ligands: Syntheses, structures and properties","Journal of Solid State Chemistry","2016","233","","320","328","10.1016/j.jssc.2015.11.009","","","0.71073","MoKα","","0.1192","0.0657","","","0.1535","0.1883","","","","","","1.027","","","","has coordinates","264020","2021-04-09","09:54:16",""
"1561632","8.092","0.0007","8.9919","0.0008","13.9961","0.0012","78.92","0.001","84.447","0.002","77.563","0.001","974.32","0.15","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C40 H28 Co Mo4 N8 O13 -","- C40 H28 Co Mo4 N8 O13 -","- C40 H28 Co Mo4 N8 O13 -","1","0.5","","Li, Na; Huang, Rudan","Six new inorganic‒organic hybrids based on rigid triangular ligands: Syntheses, structures and properties","Journal of Solid State Chemistry","2016","233","","320","328","10.1016/j.jssc.2015.11.009","","","0.71073","MoKα","","0.1682","0.1131","","","0.3235","0.3799","","","","","","1.1","","","","has coordinates","264020","2021-04-09","09:54:24",""
"1561643","7.8952","0.0005","9.8862","0.0006","14.6033","0.0008","90.825","0.002","101.748","0.002","110.018","0.002","1044.15","0.11","120","2","120","2","","","","","","","","5","P -1","-P 1","2","Lutetiumdiborate-nitrate dihydrate","","","- B4 H8 Lu4 N4 O26 -","- B4 Lu4 N4 O26 -","- B8 Lu8 N8 O52 -","2","1","","Ortner, Teresa S.; Wurst, Klaus; Hejny, Clivia; Huppertz, Hubert","Hydrothermal synthesis and characterization of the lutetium borate‒nitrate Lu2B2O5(NO3)2·2H2O","Journal of Solid State Chemistry","2016","233","","329","334","10.1016/j.jssc.2015.11.005","","","0.71073","MoKα","","0.0639","0.0439","","","0.0996","0.1086","","","","","","1.066","","","","has coordinates","264046","2021-04-12","07:25:44",""
"1561644","7.8828","0.0002","14.1596","0.0004","19.2427","0.0006","90","","90","","90","","2147.82","0.11","100.3","0.9","100.3","0.9","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C22 H21 Cd N3 O6 -","- C22 H21 Cd N3 O6 -","- C88 H84 Cd4 N12 O24 -","4","1","","Ma, Ning; Guo, Wei-Ying; Song, Hui-Hua; Yu, Hai-Tao","Diverse Cd(II) compounds based on N-benzoyl-L-glutamic acid and N-donor ligands: Structures and photoluminescent properties","Journal of Solid State Chemistry","2016","233","","381","389","10.1016/j.jssc.2015.11.010","","x-ray","0.71073","MoKα","","0.0234","0.0211","","","0.0436","0.045","","","","","","1.053","","","","has coordinates","264047","2021-04-12","07:34:00",""
"1561645","9.1277","0.0002","14.1531","0.0003","24.0109","0.0004","90","","90","","90","","3101.85","0.11","99.95","0.18","99.95","0.18","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C32 H35 Cd N5 O9 -","- C32 H35 Cd N5 O9 -","- C128 H140 Cd4 N20 O36 -","4","1","","Ma, Ning; Guo, Wei-Ying; Song, Hui-Hua; Yu, Hai-Tao","Diverse Cd(II) compounds based on N-benzoyl-L-glutamic acid and N-donor ligands: Structures and photoluminescent properties","Journal of Solid State Chemistry","2016","233","","381","389","10.1016/j.jssc.2015.11.010","","","0.7107","MoKα","","0.0427","0.0364","","","0.068","0.0714","","","","","","1.053","","","","has coordinates","264047","2021-04-12","07:34:01",""
"1561646","10.2121","0.0005","10.8045","0.0007","10.8685","0.0007","66.574","0.006","78.904","0.005","82.747","0.005","1078.13","0.12","99.97","0.16","99.97","0.16","","","","","","","","5","P -1","-P 1","2","","","","- C24 H21 Cd N3 O6 -","- C24 H21 Cd N3 O6 -","- C48 H42 Cd2 N6 O12 -","2","1","","Ma, Ning; Guo, Wei-Ying; Song, Hui-Hua; Yu, Hai-Tao","Diverse Cd(II) compounds based on N-benzoyl-L-glutamic acid and N-donor ligands: Structures and photoluminescent properties","Journal of Solid State Chemistry","2016","233","","381","389","10.1016/j.jssc.2015.11.010","","","0.7107","MoKα","","0.0422","0.0342","","","0.0588","0.0651","","","","","","1.062","","","","has coordinates","264047","2021-04-12","07:34:01",""
"1561647","9.3988","0.0005","10.5884","0.0008","11.6825","0.0007","115.641","0.007","97.561","0.004","91.879","0.005","1033.77","0.13","100.02","0.1","100.02","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C22 H21 Cd N3 O6 -","- C22 H21 Cd N3 O6 -","- C44 H42 Cd2 N6 O12 -","2","1","","Ma, Ning; Guo, Wei-Ying; Song, Hui-Hua; Yu, Hai-Tao","Diverse Cd(II) compounds based on N-benzoyl-L-glutamic acid and N-donor ligands: Structures and photoluminescent properties","Journal of Solid State Chemistry","2016","233","","381","389","10.1016/j.jssc.2015.11.010","","x-ray","0.71073","MoKα","","0.0444","0.0365","","","0.0731","0.0778","","","","","","1.062","","","","has coordinates","264047","2021-04-12","07:34:01",""
"1561648","9.6731","0.0002","12.1375","0.0003","22.6012","0.0006","90","","90","","90","","2653.54","0.11","99.97","0.16","99.97","0.16","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C25 H31 Cd N3 O8 -","- C25 H31 Cd N3 O8 -","- C100 H124 Cd4 N12 O32 -","4","1","","Ma, Ning; Guo, Wei-Ying; Song, Hui-Hua; Yu, Hai-Tao","Diverse Cd(II) compounds based on N-benzoyl-L-glutamic acid and N-donor ligands: Structures and photoluminescent properties","Journal of Solid State Chemistry","2016","233","","381","389","10.1016/j.jssc.2015.11.010","","","0.71073","MoKα","","0.0426","0.0355","","","0.0665","0.0708","","","","","","1.067","","","","has coordinates","264047","2021-04-12","07:34:01",""
"1562024","5.5947","0.001","7.8851","0.001","5.5634","0.001","90","","90","","90","","245.43","0.07","1273","","1273","","","","","","","","","4","P n m a","-P 2ac 2n","62","PrMn0.8Fe0.2O3","","","- Fe0.8 Mn3.2 O12 Pr4 -","- Fe0.8 Mn3.2 O12 Pr4 -","- Fe0.8 Mn3.2 O12 Pr4 -","1","0.125","","Mihalik M., Jaglicic Z., Fitta M., Kavecansky V., Csach K., Budziak A., Briancin J., Zentkova M., Mihalik M.","Structural and magnetic study of PrMn_(1-x)Fe_xO_3 compounds","Journal of Alloys and Compounds","2016","687","","652","661","10.1016/j.jallcom.2016.06.177","","","1.54056","CuKα~1~","","","","","","","","","0.118","6.095","","","","","","","has coordinates","264455","2021-04-23","08:38:40",""
"1562025","5.7594","0.001","7.6443","0.001","5.4602","0.001","90","","90","","90","","240.39","0.07","303","","303","","","","","","","","","4","P n m a","-P 2ac 2n","62","PrMn0.8Fe0.2O3","","","- Fe0.8 Mn3.2 O12 Pr4 -","- Fe0.8 Mn3.2 O12 Pr4 -","- Fe0.8 Mn3.2 O12 Pr4 -","1","0.125","","Mihalik M., Jaglicic Z., Fitta M., Kavecansky V., Csach K., Budziak A., Briancin J., Zentkova M., Mihalik M.","Structural and magnetic study of PrMn_(1-x)Fe_xO_3 compounds","Journal of Alloys and Compounds","2016","687","","652","661","10.1016/j.jallcom.2016.06.177","","","1.54056","CuKα~1~","","","","","","","","","0.1132","5.9819","","","","","","","has coordinates","264456","2021-04-23","08:38:47",""
"1562026","5.5936","0.001","7.8829","0.001","5.5627","0.001","90","","90","","90","","245.28","0.07","1273","","1273","","","","","","","","","4","P n m a","-P 2ac 2n","62","PrMn0.9Fe0.1O3","","","- Fe0.4 Mn3.6 O12 Pr4 -","- Fe0.4 Mn3.6 O12 Pr4 -","- Fe0.4 Mn3.6 O12 Pr4 -","1","0.125","","Mihalik M., Jaglicic Z., Fitta M., Kavecansky V., Csach K., Budziak A., Briancin J., Zentkova M., Mihalik M.","Structural and magnetic study of PrMn_(1-x)Fe_xO_3 compounds","Journal of Alloys and Compounds","2016","687","","652","661","10.1016/j.jallcom.2016.06.177","","","1.54056","CuKα~1~","","","","","","","","","0.119","6.579","","","","","","","has coordinates","264457","2021-04-23","08:38:54",""
"1562027","5.7952","0.001","7.6218","0.001","5.4605","0.001","90","","90","","90","","241.19","0.07","298","","298","","","","","","","","","4","P n m a","-P 2ac 2n","62","PrMn0.9Fe0.1O3","","","- Fe0.4 Mn3.6 O12 Pr4 -","- Fe0.4 Mn3.6 O12 Pr4 -","- Fe0.4 Mn3.6 O12 Pr4 -","1","0.125","","Mihalik M., Jaglicic Z., Fitta M., Kavecansky V., Csach K., Budziak A., Briancin J., Zentkova M., Mihalik M.","Structural and magnetic study of PrMn_(1-x)Fe_xO_3 compounds","Journal of Alloys and Compounds","2016","687","","652","661","10.1016/j.jallcom.2016.06.177","","","1.54056","CuKα~1~","","","","","","","","","0.1139","6.586","","","","","","","has coordinates","264458","2021-04-23","08:39:00",""
"1562028","5.592","0.001","7.8818","0.001","5.5627","0.001","90","","90","","90","","245.18","0.07","1273","","1273","","","","","","","","","3","P n m a","-P 2ac 2n","62","PrMnO3","","","- Mn O3 Pr -","- Mn O3 Pr -","- Mn4 O12 Pr4 -","4","0.5","","Mihalik M., Jaglicic Z., Fitta M., Kavecansky V., Csach K., Budziak A., Briancin J., Zentkova M., Mihalik M.","Structural and magnetic study of PrMn_(1-x)Fe_xO_3 compounds","Journal of Alloys and Compounds","2016","687","","652","661","10.1016/j.jallcom.2016.06.177","","","1.54056","CuKα~1~","","","","","","","","","0.131","6.906","","","","","","","has coordinates","264459","2021-04-23","08:39:18",""
"1562029","5.8276","0.001","7.5986","0.001","5.4589","0.001","90","","90","","90","","241.73","0.07","373","","373","","","","","","","","","3","P n m a","-P 2ac 2n","62","PrMnO3","","","- Mn O3 Pr -","- Mn O3 Pr -","- Mn4 O12 Pr4 -","4","0.5","","Mihalik M., Jaglicic Z., Fitta M., Kavecansky V., Csach K., Budziak A., Briancin J., Zentkova M., Mihalik M.","Structural and magnetic study of PrMn_(1-x)Fe_xO_3 compounds","Journal of Alloys and Compounds","2016","687","","652","661","10.1016/j.jallcom.2016.06.177","","","1.54056","CuKα~1~","","","","","","","","","0.131","7.937","","","","","","","has coordinates","264460","2021-04-23","08:39:27",""
"1564815","7.5806","0.0002","8.4946","0.0002","10.1092","0.0003","81.087","0.002","88.356","0.002","82.132","0.002","637.04","0.03","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C6 H26 Ag4 N2 O21 P6 -","- C6 H26 Ag4 N2 O21 P6 -","- C6 H26 Ag4 N2 O21 P6 -","1","0.5","","Somov, N.V.; Chausov, F.F.","Synthesis and Structure of New Light-Resistant Bactericide Bis(nitrilotrismethylenephosphonato)diaquatetrasilver Monohydrate {Ag4[NH(CH2PO3H)3]2(H2O)2} H2O","Crystallography Reports","2016","61","1","39","43","10.1134/S1063774516010235","","x-ray","0.71073","MoKα","","0.021","0.0194","","","0.0453","0.046","","","","","","1.028","","","","has coordinates","269557","2021-10-05","08:56:01",""
"1564818","9.1712","0.0001","16.057","0.0001","9.7089","0.0001","90","","115.83","0.002","90","","1286.91","0.03","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C3 H16 N Ni O12 P3 -","- C3 H16 N Ni O12 P3 -","- C12 H64 N4 Ni4 O48 P12 -","4","1","","Somov, N.V.; Chausov, F.F.; Zakirova, R.M.; Fedotova, I.V.","Synthesis, Structure, and Properties of Nickel Complexes with Nitrilotris(methylenephosphonic acid) [Ni(H2O)3N(CH2PO3H)3] and Na4[Ni(H2O)N(CH2PO3)3] 11H2O","Crystallography Reports","2016","61","2","216","224","10.1134/S1063774516020243","","x-ray","0.71073","MoKα","","0.0399","0.0311","","","0.0713","0.0745","","","","","","1.079","","","","has coordinates","269561","2021-10-05","09:59:58",""
"1564819","5.5732","0.0002","7.0106","0.0002","16.901","0.0005","97.515","0.002","94.551","0.002","95.123","0.002","649.28","0.04","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C3 H15 Li N O11 P3 -","- C3 H15 Li N O11 P3 -","- C6 H30 Li2 N2 O22 P6 -","2","1","","Somov, N.V.; Chausov, F.F.; Zakirova, R.M.","Aqua{pentahydrogennitrilotris(methylenephosphonato)}lithium Hydrate [Li(H2O){N(CH2PO3)3H5}] H2O: Synthesis and Structure","Crystallography Reports","2016","61","3","395","400","10.1134/S1063774516030263","","x-ray","0.71073","MoKα","","0.0338","0.0287","","","0.0764","0.079","","","","","","1.1","","","","has coordinates","269562","2021-10-05","10:00:08",""
"1564820","6.2553","0.0003","8.3041","0.0005","11.4036","0.0005","85.396","0.004","89.884","0.004","73.999","0.004","567.44","0.05","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C3 H11 K N O9 P3 -","- C3 H11 K N O9 P3 -","- C6 H22 K2 N2 O18 P6 -","2","1","","Somov, N.V.; Chausov, F.F.; Zakirova, R.M.","Nitrilotris(methylenephosphonato)potassium K[6-NH(CH2PO3)3H4]: Synthesis, Structure, and the Nature of the KO Chemical Bond","Crystallography Reports","2016","61","4","606","610","10.1134/S1063774516040209","","x-ray","0.71073","MoKα","","0.0238","0.0224","","","0.0626","0.0639","","","","","","1.13","","","","has coordinates","269563","2021-10-05","10:00:17",""
"1566649","6.23416","0.00006","6.21697","0.00007","5.83377","0.00006","90.033","0.005","89.922","0.003","89.999","0.006","226.103","0.004","","","","","","","","","","","","2","P -1","-P 1","2","ice XV","","","- D2 O -","- D2 O -","- D20 O10 -","10","5","","Salzmann, C. G.; Slater, B.; Radaelli, P. G.; Finney, J. L.; Shephard, J. J.; Rosillo-Lopez, M.; Hindley, J.","Detailed crystallographic analysis of the ice VI to ice XV hydrogen ordering phase transition","The Journal of Chemical Physics","2016","145","","204501","","","","","","","","","","","","","","","","","","","","","","","has coordinates","273843","2022-03-20","07:55:07",""
"1566650","6.245","0.0006","6.242","0.0006","5.77577","0.00009","90","","90","","90","","225.15","0.03","","","","","","","","","","","","2","P m m n :2","-P 2ab 2a","59","ice XV","","","- D2 O -","- D2 O -","- D20 O10 -","10","1.25","","Komatsu, K.; Noritake, F.; Machida, S.; Sano-Furukawa, A.; Hattori, T.; Yamane, R.; Kagi, H.","Partially ordered state of ice XV","Scientific Reports","2016","6","","28920","","","","","","","","","","","","","","","","","","","","","","","has coordinates","273844","2022-03-20","08:04:13",""
"1566652","6.32849","0.00014","6.32849","0.00014","6.05472","0.00022","90","","90","","120","","210.003","0.01","","","","","","","","","","","","2","P 61 2 2","P 61 2 (0 0 5)","178","ice XVII","","","- D2 O -","- D2 O -","- D12 O6 -","6","0.5","","del Rosso, L.; Grazzi, F.; Celli, M.; Colognesi, D.; Garcia-Sakai, V.; Ulivi, L.","Refined structure of metastable ice XVII from neutron diffraction measurements","The Journal of Physical Chemistry C","2016","120","","26955","","","","","","","","","","","","","","","","","","","","","","","has coordinates","273846","2022-03-20","08:55:39",""
"1566660","6.2446","0.00006","6.2446","0.00006","5.76203","0.0001","90","","90","","90","","224.691","0.005","","","","","","","","","","","","2","P 42/n m c :2","-P 4ac 2a","137","ice VI","","","- D2 O -","- D2 O -","- D20 O10 -","10","0.625","","Komatsu, K.; Noritake, F.; Machida, S.; Sano-Furukawa, A.; Hattori, T.; Yamane, R.; Kagi, H.","Partially ordered state of ice XV","Scientific Reports","2016","6","","28920","","","","","","","","","","","","","","","","","","","","","","","has coordinates","273856","2022-03-21","04:53:10",""
"1567246","7.4296","0.0003","7.5187","0.0003","14.3206","0.0007","90","","94.184","0.001","90","","797.83","0.06","200","2","200","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","5-Chloroisatin-3-oxime","(3<i>Z</i>)-5-Chloro-3-(hydroxyimino)indolin-2-one","","- C8 H5 Cl N2 O2 -","- C8 H5 Cl N2 O2 -","- C32 H20 Cl4 N8 O8 -","4","1","BX4003","Martins, Bianca Barreto; Gervini, Vanessa Carratu; Pires, Fabricio Carvalho; Bortoluzzi, Adailton João; de Oliveira, Adriano Bof","(3Z)-5-Chloro-3-(hydroxyimino)indolin-2-one","IUCrData","2016","1","10","x161506","","10.1107/s2414314616015066","","x-ray","0.71073","MoKα","","0.0372","0.032","","","0.0902","0.0953","","","","","","1.052","","","","has coordinates,has Fobs","276691","2022-07-06","20:37:47",""
"1570600","10.617","0.002","10.736","0.002","8.7354","0.0017","90","","90","","90","","995.7","0.3","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","Strontium triphosphate(V) chloride","","","- Cl O10 P3 Sr3 -","- Cl O10 P3 Sr3 -","- Cl4 O40 P12 Sr12 -","4","0.5","","Gao, Jianhua; Liu, Xi; Song, Limei; Sha, Xunshan; Zhao, Pan; Guo, Ping","Synthesis and structure of a new halophosphate Sr 3 P 3 O 10 Cl with the flexible [P 3 O 10 ] 5− anions","Solid State Sciences","2016","55","","159","163","10.1016/j.solidstatesciences.2016.03.008","","","","","","","","","","","","","","","","","","","","","has coordinates","288565","2023-12-28","20:06:03",""
"2020308","15.1305","0.0007","14.2921","0.0006","11.6939","0.0005","90","","117.37","0.002","90","","2245.69","0.17","100","","100","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","<i>catena</i>-Poly[<i>N</i>,<i>N</i>,<i>N</i>',<i>N</i>'-tetramethylguanidinium [(chloridocadmate)-di-μ-chlorido]]","","- C5 H14 Cd Cl3 N3 -","- C5 H14 Cd Cl3 N3 -","- C40 H112 Cd8 Cl24 N24 -","8","1","WM5207","Ndiaye, Mamadou; Samb, Abdoulaye; Diop, Libasse; Maris, Thierry","Crystal structure of <i>catena</i>-poly[<i>N</i>,<i>N</i>,<i>N</i>',<i>N</i>'-tetramethylguanidinium [(chloridocadmate)-di-μ-chlorido]]","Acta Crystallographica Section E","2016","72","1","1","3","10.1107/S2056989015020836","","","1.34139","GaKα","","0.0165","0.0164","","","0.0396","0.0397","","","","","","1.129","","","","has coordinates,has Fobs","176644","2020-10-21","18:00:00",""
"2020309","10.2035","0.0011","16.6206","0.0016","14.4854","0.0011","90","","122.76","0.005","90","","2065.8","0.4","180","2","180","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Dichloridobis(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')cobalt(II)","","- C24 H16 Cl2 Co N4 -","- C24 H16 Cl2 Co N4 -","- C96 H64 Cl8 Co4 N16 -","4","1","LG3174","Chen, Xiaocui; Han, Shumin; Wang, Ruiyao; Li, Yuan","Four supramolecular isomers of dichloridobis(1,10-phenanthroline)cobalt(II): synthesis, structure characterization and isomerization","Acta Crystallographica Section C","2016","72","1","6","13","10.1107/S2053229615022779","","","0.71073","MoKα","","0.0841","0.0413","","","0.0705","0.0818","","","","","","1.065","","","","has coordinates,has Fobs","176616","2020-10-21","18:00:00",""
"2020310","16.092","0.0008","11.1929","0.0006","14.1149","0.0008","90","","94.487","0.002","90","","2534.5","0.2","180","2","180","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Dichloridobis(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')cobalt(II) dimethylformamide monosolvate","","- C27 H23 Cl2 Co N5 O -","- C27 H23 Cl2 Co N5 O -","- C108 H92 Cl8 Co4 N20 O4 -","4","1","LG3174","Chen, Xiaocui; Han, Shumin; Wang, Ruiyao; Li, Yuan","Four supramolecular isomers of dichloridobis(1,10-phenanthroline)cobalt(II): synthesis, structure characterization and isomerization","Acta Crystallographica Section C","2016","72","1","6","13","10.1107/S2053229615022779","","","0.71073","MoKα","","0.0288","0.0247","","","0.0607","0.0634","","","","","","1.066","","","","has coordinates,has Fobs","176616","2020-10-21","18:00:00",""
"2020311","6.5667","0.0009","7.892","0.001","17.2051","0.0015","87.291","0.009","86.833","0.005","65.99","0.006","812.95","0.17","180","0.5","180","0.5","","","","","","","","5","P -1","-P 1","2","","2<i>H</i>-1,4-Benzotellurazin-3(4<i>H</i>)-one","","- C8 H7 N O Te -","- C8 H7 N O Te -","- C32 H28 N4 O4 Te4 -","4","2","","Myers, Joshua P.; Fronczek, Frank R.; Junk, Thomas","The first crystal structures of six- and seven-membered tellurium- and nitrogen-containing (Te—N) heterocycles: 2<i>H</i>-1,4-benzotellurazin-3(4<i>H</i>)-one and 2,3-dihydro-1,5-benzotellurazepin-4(5<i>H</i>)-one","Acta Crystallographica Section C","2016","72","1","1","5","10.1107/S2053229615022378","","","0.71073","MoKα","","0.0426","0.0335","","","0.0733","0.0767","","","","","","1.186","","","","has coordinates,has Fobs","176618","2020-10-21","18:00:00",""
"2020312","7.7404","0.0003","9.6523","0.0005","24.4699","0.001","90","","96","0.002","90","","1818.2","0.14","90","0.5","90","0.5","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2,3-Dihydro-1,5-benzotellurazepin-4(5<i>H</i>)-one","","- C9 H9 N O Te -","- C9 H9 N O Te -","- C72 H72 N8 O8 Te8 -","8","2","","Myers, Joshua P.; Fronczek, Frank R.; Junk, Thomas","The first crystal structures of six- and seven-membered tellurium- and nitrogen-containing (Te—N) heterocycles: 2<i>H</i>-1,4-benzotellurazin-3(4<i>H</i>)-one and 2,3-dihydro-1,5-benzotellurazepin-4(5<i>H</i>)-one","Acta Crystallographica Section C","2016","72","1","1","5","10.1107/S2053229615022378","","","1.54184","CuKα","","0.0458","0.035","","","0.0832","0.0886","","","","","","1.063","","","","has coordinates,has Fobs","176618","2020-10-21","18:00:00",""
"2020313","7.224","0.0018","12.935","0.003","22.0691","0.001","90","","90","","90","","2062.2","0.7","293","","293","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","3,4:6,7-Di-<i>O</i>-cyclohexylidene-<i>D</i>-glycero-α-<i>L</i>-talo-heptopyranose methanol monosolvate","","- C20 H34 O8 -","- C20 H34 O8 -","- C80 H136 O32 -","4","1","FN3209","Pullela, Srinivas Venkata; Acharya, Vinod; Reddy, Nagarjuna; Harlikar, Jayvant; Kulkarni, Amar; Chavan, Rakesh; Yadav, Ajay; Manna, Shuvendu; Ghosh, Angshuman","Structural corroboration of two important building blocks of the anticancer drug eribulin mesylate through two-dimensional NMR and single-crystal X-ray diffraction studies","Acta Crystallographica Section C","2016","72","1","14","20","10.1107/S2053229615022305","","","0.71075","MoKα","","0.0387","0.0373","","","0.0984","0.0999","","","","","","1.081","","","","has coordinates,has Fobs","176627","2020-10-21","18:00:00",""
"2020314","7.593","0.006","8.542","0.007","26.7","0.02","90","","90","","90","","1732","2","200","","200","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(2<i>R</i>,3<i>R</i>,4<i>R</i>,5<i>S</i>)-5-Allyl-2-[(<i>S</i>)-2,3-dihydroxypropyl]-4-[(phenylsulfonyl)methyl]tetrahydrofuran-3-ol","","- C17 H24 O6 S -","- C17 H24 O6 S -","- C68 H96 O24 S4 -","4","1","FN3209","Pullela, Srinivas Venkata; Acharya, Vinod; Reddy, Nagarjuna; Harlikar, Jayvant; Kulkarni, Amar; Chavan, Rakesh; Yadav, Ajay; Manna, Shuvendu; Ghosh, Angshuman","Structural corroboration of two important building blocks of the anticancer drug eribulin mesylate through two-dimensional NMR and single-crystal X-ray diffraction studies","Acta Crystallographica Section C","2016","72","1","14","20","10.1107/S2053229615022305","","","0.71075","MoKα","","0.0358","0.033","","","0.0804","0.0821","","","","","","1.048","","","","has coordinates,has Fobs","176627","2020-10-21","18:00:00",""
"2020315","7.2703","0.0004","14.6512","0.0007","13.8246","0.0009","90","","90","","90","","1472.58","0.14","293","2","293","2","","","","","","","","6","P b c m","-P 2c 2b","57","","Poly[aquatetra-μ~2~-cyanido-κ^8^<i>C</i>:<i>N</i>-dicyanido-κ^2^<i>C</i>-(piperazinium-κ<i>N</i>^4^)cobalt(III)copper(II)]","","- C10 H13 Co Cu N8 O -","- C10 H13 Co Cu N8 O -","- C40 H52 Co4 Cu4 N32 O4 -","4","0.5","KY3089","Qin, Ying-Lian; Yao, Chen-Zhong; Yang, Bin-Wu; Qin, Jian-Fang; Gong, Qiao-Juan","Synthesis, crystal structure and magnetic properties of a two-dimensional cyanide-based heterometallic coordination polymer with cationic piperazinium ligands: poly[aquatetra-μ~2~-cyanido-κ^8^<i>C</i>:<i>N</i>-dicyanido-κ^2^<i>C</i>-(piperazinium-κ<i>N</i>^4^)cobalt(III)copper(II)]","Acta Crystallographica Section C","2016","72","1","21","27","10.1107/S2053229615021361","","","0.71073","MoKα","","0.0344","0.0316","","","0.1055","0.1078","","","","","","1.103","","","","has coordinates,has Fobs","176626","2020-10-21","18:00:00",""
"2020317","11.307","0.003","6.17","0.002","14.678","0.004","90","","111.06","0.03","90","","955.6","0.5","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","Thymidine 3':5'-cyclic phosphate sodium salt heptahydrate","Sodium thymidine 3':5'-cyclic phosphate heptahydrate","","- C10 H26 N2 Na O14 P -","- C10 H26 N2 Na O14 P -","- C20 H52 N4 Na2 O28 P2 -","2","1","SK3608","Ślepokura, Katarzyna Anna","3':5'-Cyclic nucleotides: two sodium salts of cdTMP","Acta Crystallographica Section C","2016","72","1","35","47","10.1107/S2053229615022536","","","0.71073","MoKα","","0.0283","0.0261","","","0.0699","0.0708","","","","","","1.049","","","","has coordinates,has Fobs","176617","2020-10-21","18:00:00",""
"2020318","32.936","0.008","19.718","0.004","21.569","0.005","90","","112.18","0.03","90","","12971","6","100","2","100","2","","","","","","","","6","C 1 2 1","C 2y","5","Thymidine 3':5'-cyclic phosphate sodium salt 3.7-hydrate","Sodium thymidine 3':5'-cyclic phosphate 3.7-hydrate","","- C10 H19.4 N2 Na O10.7 P -","- C10 H14.8225 N2 Na O10.7189 P -","- C320 H474.32 N64 Na32 O343.004 P32 -","32","8","","Ślepokura, Katarzyna Anna","3':5'-Cyclic nucleotides: two sodium salts of cdTMP","Acta Crystallographica Section C","2016","72","1","35","47","10.1107/S2053229615022536","","","0.71073","MoKα","","0.1132","0.0521","","","0.0759","0.0821","","","","","","1.003","","","","has coordinates,has disorder,has Fobs","176617","2020-10-21","18:00:00",""
"2020319","8.5247","0.0005","10.9152","0.0006","15.1592","0.0008","82.98","0.002","79.248","0.002","70.022","0.002","1299.78","0.13","123","2","123","2","","","","","","","","6","P -1","-P 1","2","Bis(1,3,5-triazaniumyl-1,3,5-trideoxy-<i>cis</i>-inositolate-κ^3^<i>O</i>,<i>O</i>',<i>O</i>'')germanium(IV) tetrachloride hexahydrate","Bis[2,4,6-triazaniumylcyclohexane-1,3,5-tris(olate)-κ^3^<i>O</i>,<i>O</i>',<i>O</i>'']germanium(IV) tetrachloride hexahydrate","","- C12 H42 Cl4 Ge N6 O12 -","- C12 H42 Cl4 Ge N6 O12 -","- C24 H84 Cl8 Ge2 N12 O24 -","2","1","FP3019","Neis, Christian; Morgenstern, Bernd; Hegetschweiler, Kaspar","Hydrogen-bonding patterns in bis[2,4,6-triazaniumylcyclohexane-1,3,5-tris(olate)-κ^3^<i>O</i>,<i>O</i>',<i>O</i>'']germanium(IV) tetrachloride hexahydrate","Acta Crystallographica Section C","2016","72","1","28","34","10.1107/S2053229615023165","","","0.71073","MoKα","","0.0187","0.0181","","","0.048","0.0483","","","","","","1.07","","","","has coordinates,has Fobs","176619","2020-10-21","18:00:00",""
"2020320","6.625","0.0003","22.4796","0.0013","8.6355","0.0004","90","","100.61","0.003","90","","1264.07","0.11","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(RS)-8-chloro-6-methyl-1,2,6,7-tetrahydropyrimido[5',4':6,7]azepino[3,2,1-hi]indole","","- C15 H14 Cl N3 -","- C15 H14 Cl N3 -","- C60 H56 Cl4 N12 -","4","1","SK3612","Acosta Quintero, Lina M.; Burgos, Isidro; Palma, Alirio; Cobo, Justo; Glidewell, Christopher","Similar molecular constitutions but different conformations and different supramolecular assemblies in two related fused tetracyclic benzo[<i>b</i>]pyrimido[5,4-<i>f</i>]azepine derivatives","Acta Crystallographica Section C","2016","72","1","52","56","10.1107/S2053229615023876","","","0.71073","MoKα","","0.0625","0.045","","","0.1058","0.1135","","","","","","1.076","","","","has coordinates,has Fobs","176620","2020-10-21","18:00:00",""
"2020321","8.184","0.001","9.5399","0.0012","10.2185","0.0019","104.471","0.007","101.049","0.006","111.324","0.005","683.4","0.18","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","(RS)-9-chloro-7-methyl-2,3,7,8-tetrahydro-1H-pyrimido[5',4':6,7]azepino[3,2,1-ij]-quinoline","","- C16 H16 Cl N3 -","- C16 H16 Cl N3 -","- C32 H32 Cl2 N6 -","2","1","SK3612","Acosta Quintero, Lina M.; Burgos, Isidro; Palma, Alirio; Cobo, Justo; Glidewell, Christopher","Similar molecular constitutions but different conformations and different supramolecular assemblies in two related fused tetracyclic benzo[<i>b</i>]pyrimido[5,4-<i>f</i>]azepine derivatives","Acta Crystallographica Section C","2016","72","1","52","56","10.1107/S2053229615023876","","","0.71073","MoKα","","0.0446","0.0384","","","0.0949","0.0978","","","","","","1.037","","","","has coordinates,has Fobs","176620","2020-10-21","18:00:00",""
"2020322","14.4127","0.0002","10.8942","0.0002","20.2348","0.0004","90","","104.84","0.0007","90","","3071.2","0.09","180","2","180","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Poly[di-μ-chlorido-(μ-3,5-diaminobenzoato-κ^2^<i>O</i>:<i>O</i>')tricopper(I)(3 <i>Cu</i>—<i>Cu</i>)]","","- C7 H7 Cl2 Cu3 N2 O2 -","- C7 H7 Cl2 Cu3 N2 O2 -","- C84 H84 Cl24 Cu36 N24 O24 -","12","3","SK3607","Khosa, Muhammad Kaleem; Wood, Paul T.; Humphrey, Simon M.; Harrison, William T. A.","An unusual coordination polymer containing Cu^+^ ions and featuring possible Cu···Cu `cuprophilic' interactions: poly[di-μ-chlorido-(μ~4~-3,5-diaminobenzoato-κ^4^<i>O</i>:<i>O</i>':<i>N</i>:<i>N</i>')tricopper(I)(3 <i>Cu</i>—<i>Cu</i>)]","Acta Crystallographica Section C","2016","72","1","63","67","10.1107/S205322961502330X","","","0.71073","MoKα","","0.0813","0.0688","","","0.1868","0.2024","","","","","","1.036","","","","has coordinates,has Fobs","176625","2020-10-21","18:00:00",""
"2020323","13.9428","0.0003","9.3285","0.0002","13.6865","0.0003","90","","119.273","0.001","90","","1552.82","0.06","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Alpha-pyrrolidinopentiophenone chloride hydrate","1-(1-Oxo-1-phenylpentan-2-yl)pyrrolidin-1-ium chloride 0.786-hydrate","","- C15 H23.57 Cl N O1.79 -","- C15 H23.572 Cl N O1.786 -","- C60 H94.288 Cl4 N4 O7.144 -","4","1","LG3180","Wood, Matthew R.; Bernal, Ivan; Lalancette, Roger A.","The dangerous new synthetic drug α-PVP as the hydrated chloride salt α-pyrrolidinopentiophenone hydrochloride 0.786-hydrate","Acta Crystallographica Section C","2016","72","1","48","51","10.1107/S2053229615023621","","","1.54178","CuKα","","0.0529","0.0475","","","0.111","0.115","","","","","","1.088","","","","has coordinates,has Fobs","176628","2020-10-21","18:00:00",""
"2020324","6.1037","0.0004","9.3345","0.0007","10.4146","0.0007","83.039","0.001","77.139","0.009","85.055","0.001","573.15","0.07","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","<i>meso</i>-(<i>E</i>,<i>E</i>)-1,1'-[1,2-Bis(4-chlorophenyl)ethane-\ 1,2-diyl]bis(phenyldiazene)","","- C26 H20 Cl2 N4 -","- C26 H20 Cl2 N4 -","- C26 H20 Cl2 N4 -","1","0.5","FA3380","Mohamed, Shaaban K.; Younes, Sabry H. H.; Abdel-Raheem, Eman M. M.; Horton, Peter N.; Akkurt, Mehmet; Glidewell, Christopher","Triclinic and monoclinic polymorphs of <i>meso</i>-(<i>E</i>,<i>E</i>)-1,1'-[1,2-bis(4-chlorophenyl)ethane-1,2-diyl]bis(phenyldiazene): the high-yield synthesis of an unexpected product, concomitant polymorphism and configurational disorder","Acta Crystallographica Section C","2016","72","1","57","62","10.1107/S2053229615023578","","","0.71075","MoKα","","0.0748","0.0615","","","0.1686","0.1771","","","","","","1.075","","","","has coordinates,has Fobs","176629","2020-10-21","18:00:00",""
"2020325","22.657","0.01","5.4399","0.0018","19.086","0.006","90","","99.967","0.007","90","","2316.9","1.5","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","meso-(E,E)-1,1'-[1,2-bis(4-chlorophenyl)ethane- 1,2-diyl]bis(phenyldiazene), monoclinic polymorph","","- C26 H20 Cl2 N4 -","- C26 H20 Cl2 N4 -","- C104 H80 Cl8 N16 -","4","0.5","FA3380","Mohamed, Shaaban K.; Younes, Sabry H. H.; Abdel-Raheem, Eman M. M.; Horton, Peter N.; Akkurt, Mehmet; Glidewell, Christopher","Triclinic and monoclinic polymorphs of <i>meso</i>-(<i>E</i>,<i>E</i>)-1,1'-[1,2-bis(4-chlorophenyl)ethane-1,2-diyl]bis(phenyldiazene): the high-yield synthesis of an unexpected product, concomitant polymorphism and configurational disorder","Acta Crystallographica Section C","2016","72","1","57","62","10.1107/S2053229615023578","","","0.71073","MoKα","","0.0662","0.0524","","","0.1163","0.1241","","","","","","1.125","","","","has coordinates,has disorder,has Fobs","176629","2020-10-21","18:00:00",""
"2020326","6.5716","0.0002","16.3193","0.0005","12.8982","0.0004","90","","91.219","0.003","90","","1382.94","0.07","295","","295","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","<i>N</i>'-[Bis(methylsulfanyl)methylidene]-<i>N</i>-methyl-4-nitrobenzohydrazide","","- C11 H13 N3 O3 S2 -","- C11 H13 N3 O3 S2 -","- C44 H52 N12 O12 S8 -","4","1","","Szczesio, Małgorzata; Olczak, Andrzej; Gobis, Katarzyna; Mazerant, Ida; Kałużyńska, Sylwia; Foks, Henryk; Główka, Marek L.","Planarity of benzoyldithiocarbazate tuberculostatics. II. Diesters of benzoyldithiocarbazic acid","Acta Crystallographica Section C","2016","72","1","75","79","10.1107/S2053229615024201","","","0.71073","MoKα","","0.0408","0.0309","","","0.1069","0.1096","","","","","","1.178","","","","has coordinates,has Fobs","176615","2020-10-21","18:00:00",""
"2020327","28.5519","0.0016","7.9549","0.0004","21.393","0.0012","90","","111.841","0.005","90","","4510.2","0.5","296","","296","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","<i>N</i>'-[Bis(benzylsulfanyl)methylidene]-<i>N</i>-methyl-4-nitrobenzohydrazide","","- C23 H21 N3 O3 S2 -","- C23 H21 N3 O3 S2 -","- C184 H168 N24 O24 S16 -","8","2","","Szczesio, Małgorzata; Olczak, Andrzej; Gobis, Katarzyna; Mazerant, Ida; Kałużyńska, Sylwia; Foks, Henryk; Główka, Marek L.","Planarity of benzoyldithiocarbazate tuberculostatics. II. Diesters of benzoyldithiocarbazic acid","Acta Crystallographica Section C","2016","72","1","75","79","10.1107/S2053229615024201","","","0.71073","MoKα","","0.0508","0.0337","","","0.0861","0.089","","","","","","0.898","","","","has coordinates,has Fobs","176615","2020-10-21","18:00:00",""
"2020328","7.3383","0.0002","31.5484","0.0008","8.0521","0.0002","90","","110.253","0.001","90","","1748.9","0.08","290","","290","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","<i>N</i>'-[(Benzylsulfanyl)(methylsulfanyl)methylidene]-4-nitrobenzohydrazide","","- C16 H15 N3 O3 S2 -","- C16 H15 N3 O3 S2 -","- C64 H60 N12 O12 S8 -","4","1","","Szczesio, Małgorzata; Olczak, Andrzej; Gobis, Katarzyna; Mazerant, Ida; Kałużyńska, Sylwia; Foks, Henryk; Główka, Marek L.","Planarity of benzoyldithiocarbazate tuberculostatics. II. Diesters of benzoyldithiocarbazic acid","Acta Crystallographica Section C","2016","72","1","75","79","10.1107/S2053229615024201","","","1.54178","CuKα","","0.0432","0.038","","","0.1008","0.1048","","","","","","1.031","","","","has coordinates,has Fobs","176615","2020-10-21","18:00:00",""
"2020329","9.4985","0.0008","11.3423","0.001","23.3697","0.0018","90","","98.263","0.004","90","","2491.6","0.4","180","2","180","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Trichlorido[μ-<i>N</i>,<i>N</i>,<i>N</i>'-tris(pyridin-2-ylmethyl)ethylenediamine-<i>N</i>'-acetato]dizinc(II)","","- C22 H24 Cl3 N5 O2 Zn2 -","- C22 H24 Cl3 N5 O2 Zn2 -","- C88 H96 Cl12 N20 O8 Zn8 -","4","1","LG3178","Wegeberg, Christina; McKee, Vickie; McKenzie, Christine J.","A coordinatively flexible hexadentate ligand gives structurally isomeric complexes <i>M</i>~2~(<i>L</i>)<i>X</i>~3~ (<i>M</i> = Cu, Zn; <i>X</i> = Br, Cl)","Acta Crystallographica Section C","2016","72","1","68","74","10.1107/S2053229615023773","","","0.71073","MoKα","","0.0496","0.0394","","","0.0938","0.099","","","","","","1.138","","","","has coordinates,has Fobs","176623","2020-10-21","18:00:00",""
"2020330","18.7061","0.0012","13.3342","0.0009","20.4516","0.0013","90","","90","","90","","5101.3","0.6","180","2","180","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","Tribromido[μ-<i>N</i>,<i>N</i>,<i>N</i>'-tris(pyridin-2-ylmethyl)ethylenediamine-<i>N</i>'-acetato]dizinc(II)","","- C22 H24 Br3 N5 O2 Zn2 -","- C22 H24 Br3 N5 O2 Zn2 -","- C176 H192 Br24 N40 O16 Zn16 -","8","2","LG3178","Wegeberg, Christina; McKee, Vickie; McKenzie, Christine J.","A coordinatively flexible hexadentate ligand gives structurally isomeric complexes <i>M</i>~2~(<i>L</i>)<i>X</i>~3~ (<i>M</i> = Cu, Zn; <i>X</i> = Br, Cl)","Acta Crystallographica Section C","2016","72","1","68","74","10.1107/S2053229615023773","","","0.71073","MoKα","","0.074","0.0396","","","0.0691","0.0779","","","","","","1.016","","","","has coordinates,has Fobs","176623","2020-10-21","18:00:00",""
"2020331","11.2516","0.0009","15.0606","0.001","18.3213","0.0014","112.087","0.003","94.38","0.003","90.486","0.003","2866.1","0.4","180","2","180","2","","","","","","","","6","P -1","-P 1","2","","Aquatribromido[μ-<i>N</i>,<i>N</i>,<i>N</i>'-tris(pyridin-2-\ ylmethyl)ethylenediamine-<i>N</i>'-acetato]dicopper(II)‒tribromido[μ-\ <i>N</i>,<i>N</i>,<i>N</i>'-tris(pyridin-2-ylmethyl)ethylenediamine-\ <i>N</i>'-acetato]dicopper(II)‒water (1/1/6.5)","","- C44 H63 Br6 Cu4 N10 O11.5 -","- C44 H63 Br6 Cu4 N10 O11.5 -","- C88 H126 Br12 Cu8 N20 O23 -","2","1","LG3178","Wegeberg, Christina; McKee, Vickie; McKenzie, Christine J.","A coordinatively flexible hexadentate ligand gives structurally isomeric complexes <i>M</i>~2~(<i>L</i>)<i>X</i>~3~ (<i>M</i> = Cu, Zn; <i>X</i> = Br, Cl)","Acta Crystallographica Section C","2016","72","1","68","74","10.1107/S2053229615023773","","","0.71073","MoKα","","0.1097","0.054","","","0.0976","0.1139","","","","","","0.997","","","","has coordinates,has Fobs","199607","2020-10-21","18:00:00",""
"2020332","14.453","0.008","4.8879","0.0019","9.663","0.005","90","","103.24","0.02","90","","664.5","0.6","173","2","173","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","Diaquatetra-μ-fluorido-dioxidodivanadium(IV) monohydrate","","- F4 H6 O5 V2 -","- F4 H6 O5 V2 -","- F16 H24 O20 V8 -","4","0.5","FN3211","Black, Cameron; Lightfoot, Philip","V~2~O~2~F~4~(H~2~O)~2~·H~2~O: a new V^4+^ layer structure related to VOF~3~","Acta Crystallographica Section C","2016","72","1","80","83","10.1107/S2053229615024122","","","0.71073","MoKα","","0.0577","0.0348","","","0.0629","0.0707","","","","","","1.013","","","","has coordinates,has Fobs","176621","2020-10-21","18:00:00",""
"2020333","10.8229","0.0011","11.7395","0.0014","12.7637","0.0013","62.633","0.008","70.877","0.008","81.182","0.009","1360.7","0.3","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","(2-aminopyridin-1-ium 2-amino-6-chloro-4-oxo-4<i>H</i>-pyrimidin-3-ide)‒[2-amino-6-chloropyrimidin-4(3<i>H</i>)-one] (1/3)","","- C21 H22 Cl4 N14 O4 -","- C21 H22 Cl4 N14 O4 -","- C42 H44 Cl8 N28 O8 -","2","1","UK3121","Gerhardt, Valeska; Bolte, Michael","6-Chloroisocytosine and 5-bromo-6-methylisocytosine: again, one or two tautomers present in the same crystal?","Acta Crystallographica Section C","2016","72","1","84","93","10.1107/S2053229615024080","","","0.71073","MoKα","","0.1004","0.0579","","","0.135","0.1491","","","","","","0.916","","","","has coordinates,has Fobs","176622","2020-10-21","18:00:00",""
"2020334","14.0097","0.0007","14.0185","0.0007","21.4229","0.0011","83.774","0.004","84","0.004","83.554","0.004","4137.9","0.4","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","bis-(2-aminopyridin-1-ium 2-amino-6-chloro-4-oxo-4<i>H</i>-pyrimidin-3-ide)‒[2-amino-6-chloropyrimidin-4(3<i>H</i>)-one]‒2-aminopyridine (2/10/1)","","- C63 H66 Cl12 N42 O12 -","- C63 H66 Cl12 N42 O12 -","- C126 H132 Cl24 N84 O24 -","2","1","UK3121","Gerhardt, Valeska; Bolte, Michael","6-Chloroisocytosine and 5-bromo-6-methylisocytosine: again, one or two tautomers present in the same crystal?","Acta Crystallographica Section C","2016","72","1","84","93","10.1107/S2053229615024080","","","0.71073","MoKα","","0.1692","0.1358","","","0.3639","0.3786","","","","","","1.082","","","","has coordinates,has disorder,has Fobs","176622","2020-10-21","18:00:00",""
"2020335","9.8154","0.0013","9.9532","0.0008","14.344","0.002","90","","108.021","0.011","90","","1332.6","0.3","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","2-amino-5-bromo-6-methylpyrimidin-4(3<i>H</i>)-one‒2-amino-5-bromo-6-methylpyrimidin-4(1<i>H</i>)-one (1/1)","","- C5 H6 Br N3 O -","- C5 H6 Br N3 O -","- C40 H48 Br8 N24 O8 -","8","2","UK3121","Gerhardt, Valeska; Bolte, Michael","6-Chloroisocytosine and 5-bromo-6-methylisocytosine: again, one or two tautomers present in the same crystal?","Acta Crystallographica Section C","2016","72","1","84","93","10.1107/S2053229615024080","","","0.71073","MoKα","","0.0912","0.0762","","","0.2178","0.2283","","","","","","1.078","","","","has coordinates,has Fobs","176622","2020-10-21","18:00:00",""
"2020336","11.7075","0.0014","14.0308","0.0011","11.8308","0.0014","90","","103.096","0.01","90","","1892.8","0.4","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","2-amino-5-bromo-6-methylpyrimidin-4(3<i>H</i>)-one‒2-amino-5-bromo-6-methylpyrimidin-4(1<i>H</i>)-one <i>N</i>-methylpyrrolidin-2-one monosolvate (1/1/1)","","- C15 H21 Br2 N7 O3 -","- C15 H21 Br2 N7 O3 -","- C60 H84 Br8 N28 O12 -","4","1","UK3121","Gerhardt, Valeska; Bolte, Michael","6-Chloroisocytosine and 5-bromo-6-methylisocytosine: again, one or two tautomers present in the same crystal?","Acta Crystallographica Section C","2016","72","1","84","93","10.1107/S2053229615024080","","","0.71073","MoKα","","0.0712","0.0541","","","0.1363","0.1446","","","","","","0.998","","","","has coordinates,has Fobs","176622","2020-10-21","18:00:00",""
"2020337","9.27","0.005","11.423","0.004","12.559","0.007","90","","98.61","0.04","90","","1314.9","1.1","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","2-amino-5-bromo-6-methylpyrimidin-4(3<i>H</i>)-one‒2-amino-5-bromo-6-methylpyrimidin-4(1<i>H</i>)-one‒2-amino-6-chloropyrimidin-4(3<i>H</i>)-one (0.635/1/0.365)","","- C9.64 H11.27 Br1.64 Cl0.37 N6 O2 -","- C9.635 H11.27 Br1.635 Cl0.365 N6 O2 -","- C38.54 H45.08 Br6.54 Cl1.46 N24 O8 -","4","1","UK3121","Gerhardt, Valeska; Bolte, Michael","6-Chloroisocytosine and 5-bromo-6-methylisocytosine: again, one or two tautomers present in the same crystal?","Acta Crystallographica Section C","2016","72","1","84","93","10.1107/S2053229615024080","","","0.71073","MoKα","","0.1008","0.0926","","","0.1987","0.2021","","","","","","1.194","","","","has coordinates,has disorder,has Fobs","176622","2020-10-21","18:00:00",""
"2020385","4.1713","0.0001","14.7792","0.0004","16.1755","0.0004","90","","90","","90","","997.19","0.04","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","<i>N</i>-(4-Acetylphenyl)-2-chloroacetamide","","- C10 H10 Cl N O2 -","- C10 H10 Cl N O2 -","- C40 H40 Cl4 N4 O8 -","4","1","CU3092","Ashraf, Zaman; Kim, Daeyoung; Seo, Sung-Yum; Kang, Sung Kwon","Synthesis and crystal structures of the potential tyrosinase inhibitors <i>N</i>-(4-acetylphenyl)-2-chloroacetamide and 2-(4-acetylanilino)-2-oxoethyl cinnamate","Acta Crystallographica Section C","2016","72","2","94","98","10.1107/S205322961502433X","","","0.71073","MoKα","","0.0457","0.038","","","0.1","0.106","","","","","","1.051","","","","has coordinates,has Fobs","177472","2020-10-21","18:00:00",""
"2020386","9.7969","0.0015","17.594","0.003","9.6425","0.0015","90","","90","","90","","1662","0.5","296","2","296","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","2-(4-Acetylanilino)-2-oxoethyl cinnamate","","- C19 H17 N O4 -","- C19 H17 N O4 -","- C76 H68 N4 O16 -","4","1","CU3092","Ashraf, Zaman; Kim, Daeyoung; Seo, Sung-Yum; Kang, Sung Kwon","Synthesis and crystal structures of the potential tyrosinase inhibitors <i>N</i>-(4-acetylphenyl)-2-chloroacetamide and 2-(4-acetylanilino)-2-oxoethyl cinnamate","Acta Crystallographica Section C","2016","72","2","94","98","10.1107/S205322961502433X","","","0.71073","MoKα","","0.1528","0.0568","","","0.0921","0.1194","","","","","","0.986","","","","has coordinates,has Fobs","177472","2020-10-21","18:00:00",""
"2020387","12.0962","0.0003","7.87839","0.00017","20.4041","0.0004","90","","94.829","0.002","90","","1937.58","0.07","294","","294","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Aqua(nitrato-κ<i>O</i>)dioxido{2-[3-(pyridin-2-yl-κ<i>N</i>)-1<i>H</i>-1,2,4-triazol-5-yl-κ<i>N</i>^4^]phenolato-κ<i>O</i>}uranium(VI) acetonitrile monosolvate monohydrate","","- C15 H16 N6 O8 U -","- C15 H16 N6 O8 U -","- C60 H64 N24 O32 U4 -","4","1","","Vashchenko, Oleksandr; Raspertova, Ilona; Dyakonenko, Viktoriya; Shishkina, Svitlana; Khomenko, Dmytro; Doroschuk, Roman; Lampeka, Rostislav","Crystal structure of aqua(nitrato-κ<i>O</i>)dioxido{2-[3-(pyridin-2-yl-κ<i>N</i>)-1<i>H</i>-1,2,4-triazol-5-yl-κ<i>N</i>^4^]phenolato-κ<i>O</i>}uranium(VI) acetonitrile monosolvate monohydrate","Acta Crystallographica Section E","2016","72","2","111","113","10.1107/S205698901502438X","","","0.71073","MoKα","","0.0353","0.0287","","","0.0611","0.0635","","","","","","1.045","","","","has coordinates,has Fobs","177479","2020-10-21","18:00:00",""
"2020388","5.3844","0.0005","7.3682","0.0007","9.7405","0.0009","104.395","0.001","102.234","0.001","97.2263","0.0008","359.25","0.06","298","","298","","","","","","","","","5","P -1","-P 1","2","","1,1'-(Ethylene-1,2-diyl)dipyridinium dichloride dihydrate","","- C12 H18 Cl2 N2 O2 -","- C12 H18 Cl2 N2 O2 -","- C12 H18 Cl2 N2 O2 -","1","0.5","FA3378","Rukiah, Mwaffak; Al-Ktaifani, Mahmoud M.; Sabra, Mohammad K.","Reaction-path calculations and crystal structures of 1,1'-(ethylene-1,2-diyl)dipyridinium dichloride dihydrate and 1,1'-(ethylene-1,2-diyl)dipyridinium dibromide","Acta Crystallographica Section C","2016","72","2","","","10.1107/S2053229615024833","powder diffraction","","1.5406","CuKα~1~","","","","","","","","","","1.2","","","","","","","has coordinates,has Fobs","174508","2020-10-21","18:00:00",""
"2020389","5.7608","0.0003","6.4257","0.0003","9.6848","0.0005","80.7074","0.0011","81.2351","0.001","70.8554","0.0005","332.33","0.03","298","","298","","","","","","","","","4","P -1","-P 1","2","","1,1'-(Ethylene-1,2-diyl)dipyridinium dibromide","","- C12 H14 Br2 N2 -","- C12 H14 Br2 N2 -","- C12 H14 Br2 N2 -","1","0.5","","Rukiah, Mwaffak; Al-Ktaifani, Mahmoud M.; Sabra, Mohammad K.","Reaction-path calculations and crystal structures of 1,1'-(ethylene-1,2-diyl)dipyridinium dichloride dihydrate and 1,1'-(ethylene-1,2-diyl)dipyridinium dibromide","Acta Crystallographica Section C","2016","72","2","","","10.1107/S2053229615024833","powder diffraction","","1.5406","CuKα~1~","","","","","","","","","","1.3","","","","","","","has coordinates,has Fobs","174508","2020-10-21","18:00:00",""
"2020390","19.3239","0.0017","22.921","0.002","4.1385","0.0004","90","","90","","90","","1833","0.3","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","Nobiletin","2-(3,4-Dimethoxyphenyl)-5,6,7,8-tetramethoxy-4<i>H</i>-chromen-4-one","","- C21 H22 O8 -","- C21 H22 O8 -","- C84 H88 O32 -","4","1","YO3016","Noguchi, Shuji; Atsumi, Haruka; Iwao, Yasunori; Kan, Toshiyuki; Itai, Shigeru","Nobiletin: a citrus flavonoid displaying potent physiological activity","Acta Crystallographica Section C","2016","72","2","124","127","10.1107/S2053229616000577","","","0.70041","Synchrotron(SPring-8BL02B1)","","0.0805","0.0651","","","0.1854","0.1915","","","","","","1.294","","","","has coordinates,has Fobs","177466","2020-10-21","18:00:00",""
"2020391","6.7342","0.001","7.8271","0.001","10.7822","0.0017","90","","96.442","0.013","90","","564.73","0.14","200","1","200","1","","","","","","","","4","P 1 21 1","P 2yb","4","Morpholinium salicylate","Tetrahydro-2<i>H</i>-1,4-oxazin-4-ium 2-hydroxybenzoate","","- C11 H15 N O4 -","- C11 H15 N O4 -","- C22 H30 N2 O8 -","2","1","KY3097","Smith, Graham; Lynch, Daniel E.","Cyclic heterotetrameric and low-dimensional hydrogen-bonded polymeric structures in the morpholinium salts of ring-substituted benzoic acid analogues","Acta Crystallographica Section C","2016","72","2","105","111","10.1107/S2053229615024821","","","0.71073","MoKα","","0.0514","0.0409","","","0.083","0.0906","","","","","","1.051","","","","has coordinates,has Fobs","177470","2020-10-21","18:00:00",""
"2020392","17.8382","0.0011","10.322","0.0007","14.5599","0.0011","90","","101.06","0.006","90","","2631.1","0.3","200","2","200","2","","","","","","","","4","I 1 2/a 1","-I 2ya","15","Morpholinium 3,5-dinitrosalicylate","Tetrahydro-2<i>H</i>-1,4-oxazin-4-ium 2-carboxy-4,6-dinitrophenolate","","- C11 H13 N3 O8 -","- C11 H13 N3 O8 -","- C88 H104 N24 O64 -","8","1","KY3097","Smith, Graham; Lynch, Daniel E.","Cyclic heterotetrameric and low-dimensional hydrogen-bonded polymeric structures in the morpholinium salts of ring-substituted benzoic acid analogues","Acta Crystallographica Section C","2016","72","2","105","111","10.1107/S2053229615024821","","","0.71073","MoKα","","0.0523","0.0386","","","0.0893","0.0978","","","","","","1.032","","","","has coordinates,has Fobs","177470","2020-10-21","18:00:00",""
"2020393","21.208","0.002","5.6443","0.0004","23.9753","0.0019","90","","116.326","0.012","90","","2572.3","0.5","200","1","200","1","","","","","","","","4","C 1 2/c 1","-C 2yc","15","Morpholinium 3,5-dinitrobenzoate","Tetrahydro-2<i>H</i>-1,4-oxazin-4-ium 3,5-dinitrobenzoate","","- C11 H13 N3 O7 -","- C11 H13 N3 O7 -","- C88 H104 N24 O56 -","8","1","KY3097","Smith, Graham; Lynch, Daniel E.","Cyclic heterotetrameric and low-dimensional hydrogen-bonded polymeric structures in the morpholinium salts of ring-substituted benzoic acid analogues","Acta Crystallographica Section C","2016","72","2","105","111","10.1107/S2053229615024821","","","0.71073","MoKα","","0.0981","0.0558","","","0.0971","0.1138","","","","","","0.99","","","","has coordinates,has Fobs","177470","2020-10-21","18:00:00",""
"2020394","9.1015","0.0007","7.1128","0.0006","19.2693","0.0016","90","","91.233","0.007","90","","1247.15","0.18","200","1","200","1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","Morpholinium 4-nitroanthranilate","Tetrahydro-2<i>H</i>-1,4-oxazin-4-ium 2-amino-4-nitrobenzoate","","- C11 H15 N3 O5 -","- C11 H15 N3 O5 -","- C44 H60 N12 O20 -","4","1","KY3097","Smith, Graham; Lynch, Daniel E.","Cyclic heterotetrameric and low-dimensional hydrogen-bonded polymeric structures in the morpholinium salts of ring-substituted benzoic acid analogues","Acta Crystallographica Section C","2016","72","2","105","111","10.1107/S2053229615024821","","","0.71073","MoKα","","0.0469","0.0374","","","0.0892","0.0946","","","","","","1.057","","","","has coordinates,has Fobs","177470","2020-10-21","18:00:00",""
"2020395","20.526","0.003","7.5873","0.001","15.473","0.002","90","","105.598","0.002","90","","2321","0.5","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","<i>catena</i>-Poly[[bis(3-nitrobenzoato-κ^2^<i>O</i>,<i>O</i>')zinc(II)]-μ-4,4'-bipyridine-κ^2^<i>N</i>:<i>N</i>']","","- C24 H16 N4 O8 Zn -","- C24 H16 N4 O8 Zn -","- C96 H64 N16 O32 Zn4 -","4","1","","Tang, Long; Wang, Ji-Jiang; Fu, Feng; Wang, Sheng-Wen; Liu, Qi-Rui","A threefold interpenetrated two-dimensional zinc(II) supramolecular architecture based on 3-nitrobenzoic acid and 4,4'-bipyridine","Acta Crystallographica Section C","2016","72","2","128","132","10.1107/S2053229616000516","","","0.71073","MoKα","","0.0554","0.0418","","","0.1029","0.1133","","","","","","1.025","","","","has coordinates,has disorder,has Fobs","177473","2020-10-21","18:00:00",""
"2020396","8.4421","0.0017","11.435","0.002","11.909","0.002","111.67","0.03","107.76","0.03","95.87","0.03","987","0.5","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","Di-μ-acetato-bis{μ~4~-1-[(2-oxidophenyl)carbonyl]-2-(propanamidomethanethioyl)hydrazine-1,2-diido}tetracopper(II) dimethylformamide disolvate","","- C32 H40 Cu4 N8 O12 S2 -","- C32 H40 Cu4 N8 O12 S2 -","- C32 H40 Cu4 N8 O12 S2 -","1","0.5","QS3052","Jiao, Chen; Zhang, Si-Si; Li, Zuo-Yin; Liu, Jian-Jun; Lin, Mei-Jin; Huang, Chang-Cang","Syntheses and structures of discrete copper(II) and cadmium(II) supramolecular complexes based on 1,4-diacylthiosemicarbazone ligands","Acta Crystallographica Section C","2016","72","2","119","123","10.1107/S2053229616000310","","","0.71073","MoKα","","0.0591","0.0483","","","0.1","0.106","","","","","","1.115","","","","has coordinates,has Fobs","177475","2020-10-21","18:00:00",""
"2020397","9.959","0.002","10.531","0.002","12.617","0.003","81.35","0.03","82.13","0.03","65.6","0.03","1187.2","0.5","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","Bis{μ~2~-[(2-hydroxyphenyl)formamido](propanamidomethanethioyl)azanido}bis[(4,4'-bipyridine)nitratocadmium(II)] dihydrate","","- C42 H44 Cd2 N12 O14 S2 -","- C42 H44 Cd2 N12 O14 S2 -","- C42 H44 Cd2 N12 O14 S2 -","1","0.5","QS3052","Jiao, Chen; Zhang, Si-Si; Li, Zuo-Yin; Liu, Jian-Jun; Lin, Mei-Jin; Huang, Chang-Cang","Syntheses and structures of discrete copper(II) and cadmium(II) supramolecular complexes based on 1,4-diacylthiosemicarbazone ligands","Acta Crystallographica Section C","2016","72","2","119","123","10.1107/S2053229616000310","","","0.71073","MoKα","","0.0384","0.0292","","","0.0662","0.0708","","","","","","0.857","","","","has coordinates,has Fobs","177475","2020-10-21","18:00:00",""
"2020398","9.5585","0.0005","10.0434","0.0004","10.6027","0.0005","92.365","0.004","94.032","0.004","103.509","0.004","985.5","0.08","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","Poly[[diaqua[μ~4~-4,4'-(1,4-phenylenedioxy)bis(benzene-1,2-dicarboxylato)]bis(2,2'-bipyridine)dizinc(II)] monohydrate]","","- C42 H34 N4 O14 Zn2 -","- C42 H34 N4 O14 Zn2 -","- C42 H34 N4 O14 Zn2 -","1","0.5","LF3022","Lu, Ji-Tao; Meng, Dan-Dan; Meng, Qing-Guo","Assembly of Zn^II^ and Cd^II^ coordination polymers based on a flexible multicarboxylate ligand and nitrogen-containing auxiliary ligands through a mixed-ligand synthetic strategy: syntheses, structures and fluorescence properties","Acta Crystallographica Section C","2016","72","2","99","104","10.1107/S2053229615023967","","","0.71065","MoKα","","0.0471","0.0404","","","0.1128","0.1189","","","","","","1.073","","","","has coordinates,has Fobs","177477","2020-10-21","18:00:00",""
"2020399","6.8275","0.0004","12.7613","0.0007","14.877","0.0011","106.134","0.006","101.602","0.006","97.496","0.005","1195.55","0.14","250.01","0.1","250.01","0.1","","","","","","","","5","P -1","-P 1","2","","Poly[[diaquabis(1,10-phenanthroline)[μ~4~-4,4'-(1,4-phenylenedioxy)bis(benzene-1,2-dicarboxylato)]dicadmium(II)] dimethylformamide monosolvate]","","- C52 H44 Cd2 N6 O14 -","- C52 H44 Cd2 N6 O14 -","- C52 H44 Cd2 N6 O14 -","1","0.5","LF3022","Lu, Ji-Tao; Meng, Dan-Dan; Meng, Qing-Guo","Assembly of Zn^II^ and Cd^II^ coordination polymers based on a flexible multicarboxylate ligand and nitrogen-containing auxiliary ligands through a mixed-ligand synthetic strategy: syntheses, structures and fluorescence properties","Acta Crystallographica Section C","2016","72","2","99","104","10.1107/S2053229615023967","","","1.54184","CuKα","","0.0349","0.0299","","","0.0672","0.0726","","","","","","0.957","","","","has coordinates,has Fobs","177477","2020-10-21","18:00:00",""
"2020400","8.3119","0.0007","10.7358","0.0008","12.2031","0.001","106.332","0.004","90.296","0.005","93.842","0.005","1042.33","0.15","110","","110","","","","","","","","","5","P -1","-P 1","2","","11-Carboxymethyl-1,8-tetraaza-4,11-diazoniabicyclo[6.6.2]hexadecane-4-acetate chloride trihydrate","","- C16 H37 Cl N4 O7 -","- C16 H37 Cl N4 O7 -","- C32 H74 Cl2 N8 O14 -","2","1","SK3611","Jurek, Paul; Reibenspies, Joseph H.; Kiefer, Garry E.","CB-TE2A^+^·Cl^{-^}·3H~2~O: a short intermolecular hydrogen bond between zwitterionic bicyclo[6.6.2]tetraamine macrocycles","Acta Crystallographica Section C","2016","72","2","139","142","10.1107/S2053229616000358","","","1.54178","CuKα","","0.0419","0.0331","","","0.0909","0.0947","","","","","","1.036","","","","has coordinates,has Fobs","177467","2020-10-21","18:00:00",""
"2020401","7.3974","0.0008","16.5945","0.0019","10.3281","0.0012","90","","104.815","0.001","90","","1225.7","0.2","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Poly[(μ~4~-benzene-1,4-dicarboxylato-κ^4^<i>O</i>:<i>O</i>':<i>O</i>'':<i>O</i>''')(pyridine-κ<i>N</i>)zinc(II)]","","- C13 H9 N O4 Zn -","- C13 H9 N O4 Zn -","- C52 H36 N4 O16 Zn4 -","4","1","LF3027","Zhou, Li-Juan; Han, Chang-Bao; Wang, Yu-Ling","Two-dimensional Zn^II^ and one-dimensional Co^II^ coordination polymers based on benzene-1,4-dicarboxylate and pyridine ligands","Acta Crystallographica Section C","2016","72","2","133","138","10.1107/S2053229616000814","","","0.71073","MoKα","","0.0384","0.0265","","","0.0605","0.0648","","","","","","1.008","","","","has coordinates,has Fobs","177474","2020-10-21","18:00:00",""
"2020402","20.8487","0.0011","8.9363","0.0005","20.736","0.0011","90","","117.032","0.001","90","","3441.3","0.3","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","<i>catena</i>-Poly[aqua(μ~3~-benzene-1,4-dicarboxylato-κ^3^<i>O</i>:<i>O</i>':<i>O</i>'')bis(pyridine-κ<i>N</i>)cobalt(II)]","","- C18 H16 Co N2 O5 -","- C18 H16 Co N2 O5 -","- C144 H128 Co8 N16 O40 -","8","1","","Zhou, Li-Juan; Han, Chang-Bao; Wang, Yu-Ling","Two-dimensional Zn^II^ and one-dimensional Co^II^ coordination polymers based on benzene-1,4-dicarboxylate and pyridine ligands","Acta Crystallographica Section C","2016","72","2","133","138","10.1107/S2053229616000814","","","0.71073","MoKα","","0.034","0.0267","","","0.0681","0.072","","","","","","1","","","","has coordinates,has Fobs","177474","2020-10-21","18:00:00",""
"2020403","13.1337","0.0005","9.8973","0.0004","14.5191","0.0006","90","","116.449","0.005","90","","1689.77","0.14","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Bis(μ-5-carboxybenzene-1,3-dicarboxylato-κ^2^<i>O</i>^1^:<i>O</i>^3^)bis[(triethanolamine-κ^4^<i>N</i>,<i>O</i>,<i>O</i>',<i>O</i>'')cobalt(II)]","","- C30 H38 Co2 N2 O18 -","- C30 H38 Co2 N2 O18 -","- C60 H76 Co4 N4 O36 -","2","0.5","LF3026","Xie, Min; Xu, Guo-Hai","Bis(triethanolamine)bis(μ~2~-trimesato)dicobalt(II): a Co^II^ dimer with an unreported two-dimensional supramolecular topology formed from triethanolamine and trimesic acid ligands","Acta Crystallographica Section C","2016","72","2","143","148","10.1107/S2053229616000504","","","0.71069","MoKα","","0.038","0.0299","","","0.0757","0.0803","","","","","","1.036","","","","has coordinates","177476","2020-10-21","18:00:00",""
"2020404","10.114","0.0003","10.1578","0.0004","11.9844","0.0004","72.725","0.002","87.397","0.002","78.487","0.002","1151.91","0.07","150","2","150","2","","","","","","","","5","P -1","-P 1","2","Cu complex","<i>catena</i>-Poly[[[μ~2~-<i>N</i>,<i>N</i>'-bis(2-oxidobenzylidene)-2,2-dimethylpropane-1,3-diamine-1:2κ^6^<i>O</i>,<i>N</i>,<i>N</i>',<i>O</i>':<i>O</i>,<i>O</i>']dicopper]-di-μ-dicyanamido-1:2'κ^2^<i>N</i>^1^:<i>N</i>^5^;2:1'κ^2^<i>N</i>^1^:<i>N</i>^5^]","","- C23 H20 Cu2 N8 O2 -","- C23 H20 Cu2 N8 O2 -","- C46 H40 Cu4 N16 O4 -","2","1","LF3025","Hopa, Cigdem; Cokay, Ismail","Synthesis, structural characterization and thermal properties of a new copper(II) one-dimensional coordination polymer based on bridging <i>N</i>,<i>N</i>'-bis(2-hydroxybenzylidene)-2,2-dimethylpropane-1,3-diamine and dicyanamide ligands","Acta Crystallographica Section C","2016","72","2","149","154","10.1107/S2053229616000978","","","0.71073","MoKα","","0.0314","0.0269","","","0.0697","0.0719","","","","","","1.045","","","","has coordinates,has Fobs","177469","2020-10-21","18:00:00",""
"2020405","10.5079","0.0008","12.7461","0.0009","14.585","0.0013","111.551","0.007","95.979","0.007","98.854","0.006","1767.6","0.3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","Di-μ~3~-acetato-di-μ~2~-acetato-di-μ~3~-hydroxido-di-μ~3~-oxido-tetraoxidooctakis(pyridine-κ<i>N</i>)bis(μ~5~-salicylhydroxamato)hexanickel(II)dimolybdenum(VI) dihydrate","","- C62 H64 Mo2 N10 Ni6 O23 -","- C62 H63.956 Mo2 N10 Ni6 O22.978 -","- C62 H63.956 Mo2 N10 Ni6 O22.978 -","1","0.5","QS3051","Dou, Ming-Yu; Lu, Jing","A novel octanuclear nickel(II)‒molybdenum(VI) heterometallic cluster based on the salicylhydroxamate ligand","Acta Crystallographica Section C","2016","72","2","161","165","10.1107/S2053229616000243","","","0.71073","MoKα","","0.0804","0.0468","","","0.0863","0.1044","","","","","","1.036","","","","has coordinates,has Fobs","177468","2020-10-21","18:00:00",""
"2020406","6.4055","0.0014","11.587","0.003","15.805","0.004","90","","90","","90","","1173.1","0.5","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","Poly[tetra-μ-aqua-[μ~4~-4,4'-diazenediyl-bis(5-oxo-1<i>H</i>-1,2,4-triazolido)]disodium(I)]","","- C4 H10 N8 Na2 O6 -","- C4 H10 N8 Na2 O6 -","- C16 H40 N32 Na8 O24 -","4","0.5","OV3073","Guo, Jiajia; Cao, Wenli; Li, Shuailei; Miao, Kanghua; Song, Jirong; Huang, Jie","Synthesis and crystal structure of a two-dimensional sodium coordination polymer of 4,4'-(diazenediyl)bis(1<i>H</i>-1,2,4-triazol-5-one)","Acta Crystallographica Section C","2016","72","2","166","169","10.1107/S2053229616001509","","","0.71073","MoKα","","0.0427","0.0343","","","0.0834","0.0867","","","","","","1.049","","","","has coordinates,has Fobs","177471","2020-10-21","18:00:00",""
"2020407","5.4867","0.0017","9.8381","0.0003","50.3061","0.0017","90","","90","","90","","2715.5","0.9","123","2","123","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(10,11-Dihydro-5<i>H</i>-dibenzo[<i>b</i>,<i>f</i>]azepin-5-yl)(hydroxy)methylidene]azanium chloride","","- C15 H15 Cl N2 O -","- C15 H15 Cl N2 O -","- C120 H120 Cl8 N16 O8 -","8","2","YF3097","Buist, Amanda R.; Kennedy, Alan R.","Salt forms of the pharmaceutical amide dihydrocarbamazepine","Acta Crystallographica Section C","2016","72","2","155","160","10.1107/S2053229616001133","","","0.71073","MoKα","","0.0646","0.0485","","","0.0868","0.0932","","","","","","1.058","","","","has coordinates,has Fobs","177478","2020-10-21","18:00:00",""
"2020408","5.3048","0.0003","24.4966","0.0014","11.0163","0.0006","90","","96.731","0.005","90","","1421.7","0.14","123","2","123","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(10,11-Dihydro-5<i>H</i>-dibenzo[<i>b</i>,<i>f</i>]azepin-5-yl)(hydroxy)methylidene]azanium chloride monohydrate","","- C15 H17 Cl N2 O2 -","- C15 H17 Cl N2 O2 -","- C60 H68 Cl4 N8 O8 -","4","1","YF3097","Buist, Amanda R.; Kennedy, Alan R.","Salt forms of the pharmaceutical amide dihydrocarbamazepine","Acta Crystallographica Section C","2016","72","2","155","160","10.1107/S2053229616001133","","","0.71073","MoKα","","0.078","0.0437","","","0.0852","0.0994","","","","","","1.032","","","","has coordinates,has Fobs","177478","2020-10-21","18:00:00",""
"2020409","5.4857","0.0002","24.5526","0.0009","10.9796","0.0004","90","","96.931","0.003","90","","1468.02","0.09","123","2","123","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(10,11-Dihydro-5<i>H</i>-dibenzo[<i>b</i>,<i>f</i>]azepin-5-yl)(hydroxy)methylidene]azanium bromide monohydrate","","- C15 H17 Br N2 O2 -","- C15 H17 Br N2 O2 -","- C60 H68 Br4 N8 O8 -","4","1","YF3097","Buist, Amanda R.; Kennedy, Alan R.","Salt forms of the pharmaceutical amide dihydrocarbamazepine","Acta Crystallographica Section C","2016","72","2","155","160","10.1107/S2053229616001133","","","0.71073","MoKα","","0.0528","0.0361","","","0.0708","0.0779","","","","","","1.02","","","","has coordinates,has Fobs","177478","2020-10-21","18:00:00",""
"2020410","8.5194","0.0003","10.0059","0.0003","10.2685","0.0003","82.304","0.003","84.182","0.002","78.163","0.002","846.53","0.05","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","<i>catena</i>-Poly[[[dichloridocobalt(II)]-bis[μ-<i>N</i>,</i>N</i>'-bis(pyridin-3-yl)oxalamide-κ^2^<i>N</i>:<i>N</i>']] dimethylformamide disolvate]","","- C30 H34 Cl2 Co N10 O6 -","- C30 H34 Cl2 Co N10 O6 -","- C30 H34 Cl2 Co N10 O6 -","1","0.5","","Zhong, Di-Chang; Wen, Ya-Qiong; Deng, Ji-Hua; Jian, Tao-Hua; Wang, Ke-Jun","Two cobalt(II) supramolecular isomers based on <i>N</i>,<i>N</i>'-bis(pyridin-3-yl)oxalamide induced by the molecular orientation of lattice DMF molecules","Acta Crystallographica Section C","2016","72","2","170","173","10.1107/S205322961600156X","","","0.71073","MoKα","","0.1085","0.0653","","","0.1149","0.1281","","","","","","1.043","","","","has coordinates,has Fobs","175336","2020-10-21","18:00:00",""
"2020411","9.2991","0.0005","9.3832","0.0006","10.7003","0.0006","66.316","0.004","79.647","0.004","85.347","0.004","841.06","0.09","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","<i>catena</i>-Poly[[[dichloridocobalt(II)]-bis(μ-<i>N</i>,</i>N</i>'-bis(pyridin-3-yl)oxalamide-κ^2^<i>N</i>:<i>N</i>'] dimethylformamide disolvate]","","- C30 H34 Cl2 Co N10 O6 -","- C30 H34 Cl2 Co N10 O6 -","- C30 H34 Cl2 Co N10 O6 -","1","0.5","","Zhong, Di-Chang; Wen, Ya-Qiong; Deng, Ji-Hua; Jian, Tao-Hua; Wang, Ke-Jun","Two cobalt(II) supramolecular isomers based on <i>N</i>,<i>N</i>'-bis(pyridin-3-yl)oxalamide induced by the molecular orientation of lattice DMF molecules","Acta Crystallographica Section C","2016","72","2","170","173","10.1107/S205322961600156X","","","0.71073","MoKα","","0.0664","0.047","","","0.119","0.1323","","","","","","1.037","","","","has coordinates,has Fobs","175336","2020-10-21","18:00:00",""
"2020412","6.5063","0.0002","10.5966","0.0003","13.2066","0.0004","105.951","0.001","92.065","0.001","96.55","0.001","867.59","0.05","100","","100","","","","","","","","","5","P -1","-P 1","2","","Bis(1,4-diazabicyclo[2.2.2]octan-1-ium) thiosulfate dihydrate","","- C12 H30 N4 O5 S2 -","- C12 H30 N4 O5 S2 -","- C24 H60 N8 O10 S4 -","2","1","WM5264","Seck, Gorgui Awa; Sene, Aboubacary; Diop, Libasse; Maris, Thierry","Crystal structure of bis(1,4-diazabicyclo[2.2.2]octan-1-ium) thiosulfate dihydrate","Acta Crystallographica Section E","2016","72","3","273","275","10.1107/S2056989016001535","","","1.34139","GaKα","","0.03","0.0294","","","0.0783","0.0791","","","","","","1.066","","","","has coordinates,has Fobs","181476","2020-10-21","18:00:00",""
"2020413","19.49","0.004","9.985","0.002","15.54","0.003","90","","96.25","0.03","90","","3006.2","1.1","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Poly[bis(μ~3~-benzene-1,2-dicarboxylato)[μ~2~-1,4-bis(pyridin-3-ylmethoxy)benzene]dicadmium(II)]","","- C17 H12 Cd N O5 -","- C17 H12 Cd N O5 -","- C136 H96 Cd8 N8 O40 -","8","1","QS3053","Yu, Cai-Xia; Gao, Yan-Ping; Cui, Xiao-Qing; Guo, Meng-Jiao; Liu, Lei-Lei","The crystal structure and photocatalytic properties of a three-dimensional cadmium(II) metal‒organic framework: poly[bis(μ~3~-benzene-1,2-dicarboxylato)[μ~2~-1,4-bis(pyridin-3-ylmethoxy)benzene]dicadmium(II)]","Acta Crystallographica Section C","2016","72","3","174","178","10.1107/S2053229616001522","","","0.71073","MoKα","","0.0202","0.0188","","","0.0485","0.0499","","","","","","1.076","","","","has coordinates,has Fobs","181472","2020-10-21","18:00:00",""
"2020414","9.5183","0.0005","9.595","0.0007","36.207","0.004","90","","90","","90","","3306.7","0.5","100","","99.95","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","(4<i>R</i>,5<i>R</i>)-4,5-Bis(hydroxydiphenylmethyl)-2,2-dimethyl-1,3-dioxolane‒4,4a,5,6,7,8-hexahydronaphthalen-2(3<i>H</i>)-one‒4a-(hydroperoxymethyl)-4,4a,5,6,7,8-hexahydronaphthalen-2(3<i>H</i>)-one (1/0.85/0.15)","","- C41 H44 O5.3 -","- C41 H44 O5.298 -","- C164 H176 O21.192 -","4","1","FN3214","Guzei, Ilia A.; Miles, Kelsey C.","<i>Ab initio</i> X-ray structural characterization of an inclusion compound with a compositionally disordered chiral guest: no prior knowledge of the crystal composition","Acta Crystallographica Section C","2016","72","3","179","183","10.1107/S2053229616001972","","","1.54178","CuKα","","0.0354","0.0346","","","0.0871","0.0877","","","","","","1.049","","","","has coordinates,has disorder,has Fobs","181475","2020-10-21","18:00:00",""
"2020415","8.3748","0.0006","18.2499","0.0009","27.5695","0.0014","90","","90","","90","","4213.7","0.4","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","[3,5-Bis(trifluoromethyl)phenyl]bis[2-(trifluoromethyl)phenyl]borane","","- C22 H11 B F12 -","- C22 H11 B F12 -","- C176 H88 B8 F96 -","8","2","SK3617","Samigullin, Kamil; Soltani, Yashar; Lerner, Hans-Wolfram; Wagner, Matthias; Bolte, Michael","Conformational studies on heteroleptic trifluoromethyl-substituted phenylboranes","Acta Crystallographica Section C","2016","72","3","189","197","10.1107/S2053229616002242","","","0.71073","MoKα","","0.0954","0.048","","","0.0916","0.1052","","","","","","0.818","","","","has coordinates,has disorder,has Fobs","181468","2020-10-21","18:00:00",""
"2020416","8.2059","0.0006","8.7103","0.0007","18.0982","0.0014","103.491","0.006","95.43","0.006","99.093","0.006","1230.38","0.17","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","[3,5-Bis(trifluoromethyl)phenyl]bis[2,6-bis(trifluoromethyl)phenyl]borane","","- C24 H9 B F18 -","- C24 H9 B F18 -","- C48 H18 B2 F36 -","2","1","SK3617","Samigullin, Kamil; Soltani, Yashar; Lerner, Hans-Wolfram; Wagner, Matthias; Bolte, Michael","Conformational studies on heteroleptic trifluoromethyl-substituted phenylboranes","Acta Crystallographica Section C","2016","72","3","189","197","10.1107/S2053229616002242","","","0.71073","MoKα","","0.0733","0.0574","","","0.1383","0.1475","","","","","","1.037","","","","has coordinates,has disorder,has Fobs","181468","2020-10-21","18:00:00",""
"2020417","10.8257","0.0011","11.4704","0.0013","12.0198","0.0014","117.067","0.008","101.774","0.009","100.795","0.009","1232.1","0.3","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","[2,6-Bis(trifluoromethyl)phenyl]bis[3,5-bis(trifluoromethyl)phenyl]borane","","- C24 H9 B F18 -","- C24 H9 B F18 -","- C48 H18 B2 F36 -","2","1","SK3617","Samigullin, Kamil; Soltani, Yashar; Lerner, Hans-Wolfram; Wagner, Matthias; Bolte, Michael","Conformational studies on heteroleptic trifluoromethyl-substituted phenylboranes","Acta Crystallographica Section C","2016","72","3","189","197","10.1107/S2053229616002242","","","0.71073","MoKα","","0.0617","0.0461","","","0.1088","0.1153","","","","","","1.063","","","","has coordinates,has disorder,has Fobs","181468","2020-10-21","18:00:00",""
"2020418","8.35","0.0012","34.37","0.004","8.5512","0.0013","90","","107.062","0.011","90","","2346.1","0.6","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","[3,5-Bis(trifluoromethyl)phenyl]dimesitylborane","","- C26 H25 B F6 -","- C26 H25 B F6 -","- C104 H100 B4 F24 -","4","1","SK3617","Samigullin, Kamil; Soltani, Yashar; Lerner, Hans-Wolfram; Wagner, Matthias; Bolte, Michael","Conformational studies on heteroleptic trifluoromethyl-substituted phenylboranes","Acta Crystallographica Section C","2016","72","3","189","197","10.1107/S2053229616002242","","","0.71073","MoKα","","0.1184","0.0659","","","0.1489","0.1724","","","","","","0.927","","","","has coordinates,has disorder,has Fobs","181468","2020-10-21","18:00:00",""
"2020419","12.9807","0.0015","9.2709","0.0009","15.269","0.002","90","","113.455","0.009","90","","1685.7","0.4","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Bis[2,6-bis(trifluoromethyl)phenyl]fluoroborane","","- C16 H6 B F13 -","- C16 H6 B F13 -","- C64 H24 B4 F52 -","4","1","SK3617","Samigullin, Kamil; Soltani, Yashar; Lerner, Hans-Wolfram; Wagner, Matthias; Bolte, Michael","Conformational studies on heteroleptic trifluoromethyl-substituted phenylboranes","Acta Crystallographica Section C","2016","72","3","189","197","10.1107/S2053229616002242","","","0.71073","MoKα","","0.1056","0.0607","","","0.1396","0.1548","","","","","","1.051","","","","has coordinates,has Fobs","181468","2020-10-21","18:00:00",""
"2020420","4.5317","0.0004","12.6474","0.0011","28.675","0.003","90","","90","","90","","1643.5","0.3","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","2","(<i>SP</i>-4-4)-(<i>R</i>)-[2-(1-Aminoethyl)-5-fluorophenyl-κ^2^<i>C</i>^1^,<i>N</i>][(<i>R</i>)-1-(4-fluorophenyl)ethylamine-κ<i>N</i>](isocyanato-κ<i>N</i>)platinum(II)","","- C17 H19 F2 N3 O Pt -","- C17 H19 F2 N3 O Pt -","- C68 H76 F8 N12 O4 Pt4 -","4","1","YF3099","Raven, William; Joschko, Thomas; Kalf, Irmgard; Englert, Ulli","Hydrogen <i>versus</i> fluorine: effects on molecular structure and intermolecular interactions in a platinum isocyanate complex","Acta Crystallographica Section C","2016","72","3","184","188","10.1107/S2053229616002382","","","0.71073","MoKα","","0.0345","0.0307","","","0.063","0.0645","","","","","","1.069","","","","has coordinates,has Fobs","181474","2020-10-21","18:00:00",""
"2020421","11.37505","0.00013","16.09785","0.00017","11.60677","0.00014","90","","96.0475","0.0011","90","","2113.53","0.04","100","","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","1,1'-(1,2-Phenylene)bis(3-methyl-1<i>H</i>-imidazol-3-ium) bis(trifluoromethanesulfonate)","","- C16 H16 F6 N4 O6 S2 -","- C16 H16 F6 N4 O6 S2 -","- C64 H64 F24 N16 O24 S8 -","4","1","EG3198","Duhayon, Carine; Canac, Yves; Dubrulle, Laurent; Maaliki, Carine; Chauvin, Remi","The search for formal electrostatic effects on molecular conformation and crystal packing: crystal structure of 2,2''-disubstituted (H <i>versus</i> PPh~2~) 1,1'-(1,2-phenylene)bis(3-methyl-1<i>H</i>-imidazol-3-ium) bis(trifluoromethanesulfonate)","Acta Crystallographica Section C","2016","72","3","198","202","10.1107/S2053229616002576","","","0.71073","MoKα","","0.0332","0.0296","","0.0393","0.037","0.0365","","","","","","1.031","","","","has coordinates,has Fobs","181469","2020-10-21","18:00:00",""
"2020422","10.281404","0.000012","10.281404","0.000012","26.15892","0.00006","90","","90","","90","","2765.19","0.008","293","2","293","2","","","","","","","","4","P 41","P 4w","76","Theophylline:Benzamid 1:1","Theophylline‒Benzamide (1/1)","","- C14 H15 N5 O3 -","- C14 H15 N5 O3 -","- C112 H120 N40 O24 -","8","2","CU3095","Fischer, Franziska; Schmidt, Martin U.; Greiser, Sebastian; Emmerling, Franziska","The challenging case of the theophylline‒benzamide cocrystal","Acta Crystallographica Section C","2016","72","3","217","224","10.1107/S2053229616002643","powder diffraction","","1.0004","Synchrotron","","1.86","","","","","","","","1.1781","","","","","","","has coordinates,has Fobs","181467","2020-10-21","18:00:00",""
"2020423","11.1182","0.0015","10.5995","0.0008","19.338","0.003","90","","96.337","0.011","90","","2265","0.5","300","2","300","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","Dichlorido[tris(piperidin-1-yl)phosphane oxide-κ<i>O</i>]mercury(II)‒dichloridomercury(II) (2/1)","","- C30 H60 Cl6 Hg3 N6 O2 P2 -","- C30 H60 Cl6 Hg3 N6 O2 P2 -","- C60 H120 Cl12 Hg6 N12 O4 P4 -","2","0.5","LG3182","Saneei, Anahid; Pourayoubi, Mehrdad; Crochet, Aurelien; Fromm, Katharina M.","The first phosphoramide‒mercury(II) complex with a Cl~2~Hg‒OP[N(C)(C)]~3~ segment","Acta Crystallographica Section C","2016","72","3","230","233","10.1107/S2053229616002394","","","0.71073","MoKα","","0.0497","0.0363","","","0.0699","0.0744","","","","","","1.053","","","","has coordinates,has Fobs","181470","2020-10-21","18:00:00",""
"2020424","10.6114","0.0009","6.3184","0.0007","19.063","0.002","90","","104.075","0.009","90","","1239.7","0.2","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","Bis(1-hydroxy-2-methylpropan-2-aminium) carbonate","","- C9 H24 N2 O5 -","- C9 H24 N2 O5 -","- C36 H96 N8 O20 -","4","0.5","FM3039","Ben Nasr, Mahjouba; Aubert, Emmanuel; Espinosa, Enrique","A comparative study of two polymorphs of bis(1-hydroxy-2-methylpropan-2-aminium) carbonate","Acta Crystallographica Section C","2016","72","3","225","229","10.1107/S2053229616002849","","","1.54184","CuKα","","0.0605","0.0532","","","0.1514","0.159","","","","","","1.09","","","","has coordinates,has Fobs","181471","2020-10-21","18:00:00",""
"2020425","9.7987","0.0004","10.3849","0.0005","13.9923","0.0006","79.948","0.002","69.724","0.002","66.911","0.002","1227.39","0.1","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","Bis[<i>N</i>-(quinolin-8-yl)benzamidato-κ^2^<i>N</i>,<i>N</i>']copper(II)","","- C32 H22 Cu N4 O2 -","- C32 H22 Cu N4 O2 -","- C64 H44 Cu2 N8 O4 -","2","1","SK3616","Chatturgoon, Teshica; Akerman, Matthew P.","X-ray and DFT-calculated structures of bis[<i>N</i>-(quinolin-8-yl)benzamidato-κ^2^<i>N</i>,<i>N</i>']copper(II)","Acta Crystallographica Section C","2016","72","3","234","238","10.1107/S2053229616003120","","","0.71073","MoKα","","0.0401","0.0366","","","0.1012","0.1033","","","","","","1.065","","","","has coordinates,has Fobs","181473","2020-10-21","18:00:00",""
"2020426","9.8572","0.0009","9.8572","0.0009","10.7595","0.0009","90","","90","","90","","1045.44","0.16","295","2","295","2","","","","","","","","5","I 41","I 4bw","80","<i>catena</i>-Poly[[diaquasodium(I)]-μ-oxalato- κ^4^<i>O</i>^1^,<i>O</i>^2^:<i>O</i>^1'^,<i>O</i>^2'^- [diaquairon(III)]-μ-oxalato-\ κ^4^<i>O</i>^1^,<i>O</i>^2^:<i>O</i>^1'^,<i>O</i>^2'^]","","","- C4 H8 Fe Na O12 -","- C4 H8 Fe Na O12 -","- C16 H32 Fe4 Na4 O48 -","4","0.5","LY3026","Benhacine, Mohamed Al Amine; Hamadène, Malika; Bouacida, Sofiane; Merazig, Hocine","The new one-dimensional coordination polymer <i>catena</i>-poly[[diaquasodium(I)]-μ-oxalato-[diaquairon(III)]-μ-oxalato]","Acta Crystallographica Section C","2016","72","3","243","250","10.1107/S2053229616002953","","","0.71073","MoKα","","0.0378","0.0285","","","0.0535","0.0563","","","","","","0.975","","","","has coordinates,has Fobs","177098","2020-10-21","18:00:00",""
"2020427","33.62","0.03","14.897","0.011","20.948","0.016","90","","110.544","0.014","90","","9824","14","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","μ-Chlorido-μ-hydroxido-bis(chlorido{(1<i>E</i>,1'<i>E</i>,2<i>E</i>,2'<i>E</i>)-<i>N</i>,<i>N</i>'-(ethane-1,2-diyl)bis[3-(2-nitrophenyl)prop-2-en-1-imine]-κ^2^<i>N</i>,<i>N</i>'}copper(II)) dichloromethane sesquisolvate","","- C41.5 H40 Cl6 Cu2 N8 O9 -","- C41.5 H40 Cl6 Cu2 N8 O9 -","- C332 H320 Cl48 Cu16 N64 O72 -","8","1","FA3382","Barati, Kazem; Clegg, William; Habibi, Mohammad Hossein; Harrington, Ross W.; Lalegani, Arash; Montazerozohori, Morteza","Synthesis and crystal structure of the dinuclear copper(II) Schiff base complex μ-hydroxido-μ-chlorido-bis{[bis(<i>trans</i>-2-nitrocinnamaldehyde)ethylenediamine]chloridocopper(II)} dichloromethane sesquisolvate","Acta Crystallographica Section C","2016","72","3","239","242","10.1107/S2053229616003144","","","0.71073","MoKα","","0.113","0.0669","","","0.185","0.2231","","","","","","1.05","","","","has coordinates,has disorder,has Fobs","177099","2020-10-21","18:00:00",""
"2020428","21.4036","0.0008","5.7673","0.0002","19.5525","0.0007","90","","92.135","0.001","90","","2411.9","0.15","173","2","173","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","<i>N</i>-(3-Fluorobenzoyl)benzenesulfonamide","","- C13 H10 F N O3 S -","- C13 H10 F N O3 S -","- C104 H80 F8 N8 O24 S8 -","8","1","HB7565","Suchetan, P. A.; Naveen, S.; Lokanath, N. K.; Lakshmikantha, H. N.; Srivishnu, K. S.; Supriya, G. M.","Crystal structures of <i>N</i>-(3-fluorobenzoyl)benzenesulfonamide and <i>N</i>-(3-fluorobenzoyl)-4-methylbenzenesulfonamide","Acta Crystallographica Section E","2016","72","4","428","431","10.1107/S2056989016003248","","","1.54178","CuKα","","0.044","0.0419","","","0.1289","0.1332","","","","","","0.98","","","","has coordinates,has Fobs","182547","2020-10-21","18:00:00",""
"2020429","9.0376","0.0004","12.2912","0.0005","12.1377","0.0005","90","","105.107","0.002","90","","1301.7","0.1","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","<i>N</i>-(3-Fluorobenzoyl)-4-methylbenzenesulfonamide","","- C14 H12 F N O3 S -","- C14 H12 F N O3 S -","- C56 H48 F4 N4 O12 S4 -","4","1","HB7565","Suchetan, P. A.; Naveen, S.; Lokanath, N. K.; Lakshmikantha, H. N.; Srivishnu, K. S.; Supriya, G. M.","Crystal structures of <i>N</i>-(3-fluorobenzoyl)benzenesulfonamide and <i>N</i>-(3-fluorobenzoyl)-4-methylbenzenesulfonamide","Acta Crystallographica Section E","2016","72","4","428","431","10.1107/S2056989016003248","","","1.54178","CuKα","","0.0575","0.0499","","","0.1459","0.1517","","","","","","1.052","","","","has coordinates,has Fobs","182547","2020-10-21","18:00:00",""
"2020430","7.6972","0.0004","24.3703","0.0012","11.358","0.0007","90","","93.545","0.002","90","","2126.5","0.2","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","Regorafenib crystalline form I","4-[4-({[4-Chloro-3-(trifluoromethy)phenyl]carbamoyl}amino)-3-fluorophenoxy]-1-methylpyridine-2-carboxamide","","- C21 H15 Cl F4 N4 O3 -","- C21 H15 Cl F4 N4 O3 -","- C84 H60 Cl4 F16 N16 O12 -","4","1","KU3173","Sun, Meng-Ying; Wu, Su-Xiang; Zhou, Xin-Bo; Gu, Jian-Ming; Hu, Xiu-Rong","Comparison of the crystal structures of the potent anticancer and anti-angiogenic agent regorafenib and its monohydrate","Acta Crystallographica Section C","2016","72","4","291","296","10.1107/S2053229616003727","","","0.71073","MoKα","","0.0922","0.0477","","","0.1085","0.1481","","","","","","1","","","","has coordinates,has Fobs","182538","2020-10-21","18:00:00",""
"2020431","4.7783","0.0002","21.9538","0.0009","20.5581","0.0008","90","","92.341","0.001","90","","2154.78","0.15","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","Regorafenib monohydrate","4-[4-({[4-Chloro-3-(trifluoromethy)phenyl]carbamoyl}amino)-3-fluorophenoxy]-1-methylpyridine-2-carboxamide monohydrate","","- C21 H17 Cl F4 N4 O4 -","- C21 H17 Cl F4 N4 O4 -","- C84 H68 Cl4 F16 N16 O16 -","4","1","KU3173","Sun, Meng-Ying; Wu, Su-Xiang; Zhou, Xin-Bo; Gu, Jian-Ming; Hu, Xiu-Rong","Comparison of the crystal structures of the potent anticancer and anti-angiogenic agent regorafenib and its monohydrate","Acta Crystallographica Section C","2016","72","4","291","296","10.1107/S2053229616003727","","","0.71073","MoKα","","0.0737","0.0417","","","0.0979","0.1201","","","","","","1.002","","","","has coordinates,has Fobs","182538","2020-10-21","18:00:00",""
"2020432","15.722","0.0015","6.1383","0.0006","19.5185","0.0019","90","","94.954","0.002","90","","1876.6","0.3","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","4-[(4-Aminophenyl)sulfonyl]anilinium benzenesulfonate monohydrate","","- C18 H20 N2 O6 S2 -","- C18 H20 N2 O6 S2 -","- C72 H80 N8 O24 S8 -","4","1","OV3072","Gaytán-Barrientos, Nancy Sarahy; Morales-Morales, David; Herrera-Ruiz, Dea; Reyes-Martínez, Reyna; Rivera-Islas, Jesús","Sulfonate salts of the therapeutic agent dapsone: 4-[(4-aminophenyl)sulfonyl]anilinium benzenesulfonate monohydrate and 4-[(4-aminophenyl)sulfonyl]anilinium methanesulfonate monohydrate","Acta Crystallographica Section C","2016","72","4","280","284","10.1107/S2053229616003284","","","0.71073","MoKα","","0.0383","0.0322","","","0.078","0.083","","","","","","1.08","","","","has coordinates,has Fobs","182540","2020-10-21","18:00:00",""
"2020433","15.9355","0.0008","6.0062","0.0003","17.1547","0.0009","90","","97.222","0.002","90","","1628.88","0.14","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","4-[(4-Aminophenyl)sulfonyl]anilinium methanesulfonate monohydrate","","- C13 H18 N2 O6 S2 -","- C13 H18 N2 O6 S2 -","- C52 H72 N8 O24 S8 -","4","1","","Gaytán-Barrientos, Nancy Sarahy; Morales-Morales, David; Herrera-Ruiz, Dea; Reyes-Martínez, Reyna; Rivera-Islas, Jesús","Sulfonate salts of the therapeutic agent dapsone: 4-[(4-aminophenyl)sulfonyl]anilinium benzenesulfonate monohydrate and 4-[(4-aminophenyl)sulfonyl]anilinium methanesulfonate monohydrate","Acta Crystallographica Section C","2016","72","4","280","284","10.1107/S2053229616003284","","","0.71073","MoKα","","0.0608","0.0406","","","0.098","0.1089","","","","","","1.046","","","","has coordinates,has Fobs","182540","2020-10-21","18:00:00",""
"2020434","9.4131","0.0007","9.9334","0.0007","13.0829","0.0006","77.65","0.005","83.824","0.005","70.284","0.006","1124.11","0.13","100.01","0.1","100.01","0.1","","","","","","","","6","P -1","-P 1","2","","Bis{μ-3-[(pyridin-4-ylmethyl)sulfanyl]-5-(quinolin-2-yl)-4<i>H</i>-1,2,4-triazol-4-amine}bis[(methanol-κ<i>O</i>)(nitrato-κ^2^<i>O</i>,<i>O</i>') nickel(II)] dinitrate","","- C36 H36 N16 Ni2 O14 S2 -","- C36 H36 N16 Ni2 O14 S2 -","- C36 H36 N16 Ni2 O14 S2 -","1","0.5","FM3038","Wu, Xiang-Wen; Yin, Shi; Wu, Wan-Fu; Ma, Jian-Ping","Synthesis and characterization of two novel bimetallic macrocyclic complexes generated from 1,2,4-triazole-containing semi-rigid ligands and <i>M</i>(NO~3~)~2~ units (<i>M</i> = Ni and Zn)","Acta Crystallographica Section C","2016","72","4","285","290","10.1107/S205322961600348X","","","0.71073","MoKα","","0.0419","0.0333","","","0.0693","0.0751","","","","","","1.038","","","","has coordinates,has Fobs","182541","2020-10-21","18:00:00",""
"2020435","10.0414","0.0005","14.4893","0.0007","15.6001","0.0008","88.257","0.004","81.614","0.004","80.184","0.004","2212.53","0.19","100.1","0.5","100.1","0.5","","","","","","","","6","P -1","-P 1","2","","Bis{μ-3-[(pyridin-4-ylmethyl)sulfanyl]-5-(quinolin-2-yl)-4<i>H</i>-1,2,4-triazol-4-amine}bis[(methanol-κ<i>O</i>)(nitrato-κ^2^<i>O</i>,<i>O</i>') zinc(II)] dinitrate","","- C36 H36 N16 O14 S2 Zn2 -","- C36 H36 N16 O14 S2 Zn2 -","- C72 H72 N32 O28 S4 Zn4 -","2","1","FM3038","Wu, Xiang-Wen; Yin, Shi; Wu, Wan-Fu; Ma, Jian-Ping","Synthesis and characterization of two novel bimetallic macrocyclic complexes generated from 1,2,4-triazole-containing semi-rigid ligands and <i>M</i>(NO~3~)~2~ units (<i>M</i> = Ni and Zn)","Acta Crystallographica Section C","2016","72","4","285","290","10.1107/S205322961600348X","","","1.54184","CuKα","","0.0497","0.0397","","","0.1057","0.1122","","","","","","1.045","","","","has coordinates,has Fobs","182541","2020-10-21","18:00:00",""
"2020436","12.0347","0.0018","14.806","0.002","10.2883","0.0017","90","","90","","90","","1833.2","0.5","147","2","147","2","","","","","","","","5","P n m a","-P 2ac 2n","62","Cl-BsubPc","Chlorido(subphthalocyaninato)boron","","- C24 H12 B Cl N6 -","- C24 H12 B Cl N6 -","- C96 H48 B4 Cl4 N24 -","4","0.5","FM3033","Virdo, Jessica D.; Lough, Alan J.; Bender, Timothy P.","Redetermination of the crystal structure of boron subphthalocyanine chloride (Cl-BsubPc) enabled by slow train sublimation","Acta Crystallographica Section C","2016","72","4","297","307","10.1107/S2053229616003491","","","0.71073","MoKα","","0.0339","0.0303","","","0.081","0.0841","","","","","","1.061","","","","has coordinates,has Fobs","182544","2020-10-21","18:00:00",""
"2020437","12.0156","0.0013","14.8099","0.0016","10.242","0.0011","90","","90","","90","","1822.6","0.3","90","2","90","2","","","","","","","","5","P n m a","-P 2ac 2n","62","Cl-BsubPc","Chlorido(subphthalocyaninato)boron","","- C24 H12 B Cl N6 -","- C24 H12 B Cl N6 -","- C96 H48 B4 Cl4 N24 -","4","0.5","FM3033","Virdo, Jessica D.; Lough, Alan J.; Bender, Timothy P.","Redetermination of the crystal structure of boron subphthalocyanine chloride (Cl-BsubPc) enabled by slow train sublimation","Acta Crystallographica Section C","2016","72","4","297","307","10.1107/S2053229616003491","","","0.71073","MoKα","","0.0497","0.0321","","","0.0731","0.0815","","","","","","1.021","","","","has coordinates,has Fobs","182544","2020-10-21","18:00:00",""
"2020438","11.9993","0.0015","14.7761","0.0014","10.242","0.0013","90","","90","","90","","1815.9","0.4","123","2","123","2","","","","","","","","5","P n m a","-P 2ac 2n","62","Cl-BsubPc","Chlorido(subphthalocyaninato)boron","","- C24 H12 B Cl N6 -","- C24 H12 B Cl N6 -","- C96 H48 B4 Cl4 N24 -","4","0.5","FM3033","Virdo, Jessica D.; Lough, Alan J.; Bender, Timothy P.","Redetermination of the crystal structure of boron subphthalocyanine chloride (Cl-BsubPc) enabled by slow train sublimation","Acta Crystallographica Section C","2016","72","4","297","307","10.1107/S2053229616003491","","","0.71073","MoKα","","0.0739","0.0425","","","0.0843","0.0964","","","","","","1.009","","","","has coordinates,has Fobs","182544","2020-10-21","18:00:00",""
"2020439","12.0187","0.001","14.798","0.0013","10.2632","0.0008","90","","90","","90","","1825.3","0.3","147","2","147","2","","","","","","","","5","P n m a","-P 2ac 2n","62","Cl-BsubPc","Chlorido(subphthalocyaninato)boron","","- C24 H12 B Cl N6 -","- C24 H12 B Cl N6 -","- C96 H48 B4 Cl4 N24 -","4","0.5","FM3033","Virdo, Jessica D.; Lough, Alan J.; Bender, Timothy P.","Redetermination of the crystal structure of boron subphthalocyanine chloride (Cl-BsubPc) enabled by slow train sublimation","Acta Crystallographica Section C","2016","72","4","297","307","10.1107/S2053229616003491","","","0.71073","MoKα","","0.0706","0.0409","","","0.0829","0.0935","","","","","","1.012","","","","has coordinates,has Fobs","182544","2020-10-21","18:00:00",""
"2020440","12.0634","0.0009","14.8634","0.0011","10.3901","0.0006","90","","90","","90","","1863","0.2","295","2","295","2","","","","","","","","5","P n m a","-P 2ac 2n","62","Cl-BsubPc","Chlorido(subphthalocyaninato)boron","","- C24 H12 B Cl N6 -","- C24 H12 B Cl N6 -","- C96 H48 B4 Cl4 N24 -","4","0.5","FM3033","Virdo, Jessica D.; Lough, Alan J.; Bender, Timothy P.","Redetermination of the crystal structure of boron subphthalocyanine chloride (Cl-BsubPc) enabled by slow train sublimation","Acta Crystallographica Section C","2016","72","4","297","307","10.1107/S2053229616003491","","","0.71073","MoKα","","0.067","0.0401","","","0.0846","0.096","","","","","","1","","","","has coordinates,has Fobs","182544","2020-10-21","18:00:00",""
"2020441","10.1883","0.0001","12.9209","0.0001","23.0447","0.0002","102.352","0.0004","95.2584","0.0004","104.153","0.0005","2840.09","0.04","160","1","160","1","","","","","","","","5","P -1","-P 1","2","","Dimethylbis{2-hydroxy-5-[(<i>E</i>)-2-(4-methylphenyl)diazen-1-\ yl]benzoato}tin(IV)","","- C30 H28 N4 O6 Sn -","- C30 H28 N4 O6 Sn -","- C120 H112 N16 O24 Sn4 -","4","2","SK3620","Linden, Anthony; Basu Baul, Tushar S.","π‒π stacking motifs in dialkylbis{5-[(<i>E</i>)-2-aryldiazen-1-yl]-2-hydroxybenzoato}tin(IV) complexes","Acta Crystallographica Section C","2016","72","4","313","325","10.1107/S2053229616004435","","","0.71073","MoKα","","0.0911","0.0411","","","0.0833","0.099","","","","","","1.005","","","","has coordinates,has Fobs","182542","2020-10-21","18:00:00",""
"2020442","12.0462","0.0001","13.6264","0.0002","22.8143","0.0003","102.267","0.0006","100.318","0.0006","91.6029","0.0006","3591.71","0.08","160","1","160","1","","","","","","","","5","P -1","-P 1","2","","Di-<i>n</i>-butylbis{2-hydroxy-5-[(<i>E</i>)-2-(4-methylphenyl)diazen-1-yl]benzoato}tin(IV) benzene hemisolvate","","- C78 H86 N8 O12 Sn2 -","- C78 H86 N8 O12 Sn2 -","- C156 H172 N16 O24 Sn4 -","2","1","SK3620","Linden, Anthony; Basu Baul, Tushar S.","π‒π stacking motifs in dialkylbis{5-[(<i>E</i>)-2-aryldiazen-1-yl]-2-hydroxybenzoato}tin(IV) complexes","Acta Crystallographica Section C","2016","72","4","313","325","10.1107/S2053229616004435","","","0.71073","MoKα","","0.0977","0.0458","","","0.0978","0.1166","","","","","","1.028","","","","has coordinates,has disorder,has Fobs","182542","2020-10-21","18:00:00",""
"2020443","32.1","0.006","10.56","0.002","15.8","0.003","90","","110.7","0.03","90","","5010.1","1.9","100","2","100","2","","","","","","","","6","C 1 2 1","C 2y","5","","Bis[μ-(<i>R</i>)-2-({[4-(3-methoxypropoxy)-3-methylpyridin-2-yl]methyl}sulfinyl)-6,7-dihydro-3<i>H</i>-benzofuro[5,6-<i>d</i>]imidazol-1-ido]bis{dimethanol[(<i>R</i>)-2-({[4-(3-methoxypropoxy)-3-methylpyridin-2-yl]methyl}sulfinyl)-6,7-dihydro-3<i>H</i>-benzofuro[5,6-<i>d</i>]imidazol-1-ido]calcium(II)} methanol hexasolvate","","- C90 H128 Ca2 N12 O26 S4 -","- C90 H128 Ca2 N12 O26 S4 -","- C180 H256 Ca4 N24 O52 S8 -","2","0.5","LF3028","Cong, Hengjiang","Crystal structure and bonding analysis of the first dinuclear calcium(II)‒proton-pump inhibitor (PPI) `butterfly molecule': a combined microcrystal synchrotron and DFT study","Acta Crystallographica Section C","2016","72","4","326","336","10.1107/S2053229616004216","","","0.79987","synchrotron","","0.0364","0.0358","","","0.0941","0.0948","","","","","","1.077","","","","has coordinates,has disorder,has Fobs","182543","2020-10-21","18:00:00",""
"2020444","19.4354","0.0007","16.7556","0.0006","15.3266","0.0006","90","","119.483","0.0011","90","","4344.8","0.3","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","Bis(4-amino-5-chloro-2,6-dimethylpyrimidinium) tetrathiocyanatozinc(II)‒4-amino-5-chloro-2,6-dimethylpyrimidine‒water (1/2/2)","","- C28 H38 Cl4 N16 O2 S4 Zn -","- C28 H38 Cl4 N16 O2 S4 Zn -","- C112 H152 Cl16 N64 O8 S16 Zn4 -","4","0.5","CU3096","Karthikeyan, Ammasai; Zeller, Matthias; Thomas Muthiah, Packianathan","Supramolecular hydrogen-bonding patterns in the organic‒inorganic hybrid compound bis(4-amino-5-chloro-2,6-dimethylpyrimidinium) tetrathiocyanatozinc(II)‒4-amino-5-chloro-2,6-dimethylpyrimidine‒water (1/2/2)","Acta Crystallographica Section C","2016","72","4","337","340","10.1107/S2053229616004186","","","0.71073","MoKα","","0.0869","0.0457","","","0.0821","0.0946","","","","","","1.021","","","","has coordinates,has Fobs","182545","2020-10-21","18:00:00",""
"2020445","7.6227","0.0002","13.9464","0.0004","16.0161","0.0004","90","","101.644","0.0007","90","","1667.62","0.08","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","(3<i>E</i>)-8-Chloro-3-iodomethylidene-2,3-dihydro-1,4-oxazino[2,3,4-<i>ij</i>]quinolin-4-ium triiodide","","- C12 H8 Cl I4 N O -","- C12 H8 Cl I4 N O -","- C48 H32 Cl4 I16 N4 O4 -","4","1","LG3186","Bartashevich, E. V.; Batalov, V. I.; Yushina, I. D.; Stash, A. I.; Chen, Y. S.","Nontypical iodine‒halogen bonds in the crystal structure of (3<i>E</i>)-8-chloro-3-iodomethylidene-2,3-dihydro-1,4-oxazino[2,3,4-<i>ij</i>]quinolin-4-ium triiodide","Acta Crystallographica Section C","2016","72","4","341","345","10.1107/S2053229616003934","","","0.41328","synchrotron","","0.0213","0.0163","","","0.0336","0.035","","","","","","1.04","","","","has coordinates,has Fobs","182546","2020-10-21","18:00:00",""
"2020446","17.0839","0.0016","4.235","0.0003","16.2258","0.0018","90","","94.047","0.008","90","","1171.01","0.19","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","6,11-Dimethyl-3,5,6,11-tetrahydro-4<i>H</i>-benzo[<i>b</i>]pyrimido[5,4-<i>f</i>]azepin-4-one","","- C14 H15 N3 O -","- C14 H15 N3 O -","- C56 H60 N12 O4 -","4","1","YF3101","Acosta Quintero, Lina M.; Palma, Alirio; Cobo, Justo; Glidewell, Christopher","Six polycyclic pyrimidoazepine derivatives: syntheses, molecular structures and supramolecular assembly","Acta Crystallographica Section C","2016","72","4","346","357","10.1107/S2053229616004654","","","0.71073","MoKα","","0.1401","0.0611","","","0.1134","0.1409","","","","","","1.048","","","","has coordinates,has Fobs","182537","2020-10-21","18:00:00",""
"2020447","11.4233","0.0004","7.3707","0.0003","20.4624","0.0007","90","","93.561","0.002","90","","1719.56","0.11","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","4-Butoxy-6,11-dimethyl-6,11-dihydro-5<i>H</i>-benzo[<i>b</i>]pyrimido[5,4-<i>f</i>]azepin-8-ol","","- C18 H23 N3 O2 -","- C18 H23 N3 O2 -","- C72 H92 N12 O8 -","4","1","YF3101","Acosta Quintero, Lina M.; Palma, Alirio; Cobo, Justo; Glidewell, Christopher","Six polycyclic pyrimidoazepine derivatives: syntheses, molecular structures and supramolecular assembly","Acta Crystallographica Section C","2016","72","4","346","357","10.1107/S2053229616004654","","","1.54178","CuKα","","0.0926","0.0495","","","0.1078","0.125","","","","","","1.049","","","","has coordinates,has Fobs","182537","2020-10-21","18:00:00",""
"2020448","18.886","0.003","7.9898","0.0015","19.335","0.003","90","","90","","90","","2917.6","0.8","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","4-Dimethylamino-6,11-dimethyl-6,11-dihydro-5<i>H</i>-\ benzo[<i>b</i>]pyrimido[5,4-<i>f</i>]azepin-8-ol","","- C16 H20 N4 O -","- C16 H20 N4 O -","- C128 H160 N32 O8 -","8","1","YF3101","Acosta Quintero, Lina M.; Palma, Alirio; Cobo, Justo; Glidewell, Christopher","Six polycyclic pyrimidoazepine derivatives: syntheses, molecular structures and supramolecular assembly","Acta Crystallographica Section C","2016","72","4","346","357","10.1107/S2053229616004654","","","0.71073","MoKα","","0.0835","0.0543","","","0.1147","0.1246","","","","","","1.018","","","","has coordinates,has Fobs","182537","2020-10-21","18:00:00",""
"2020449","12.2994","0.0008","9.1501","0.0005","16.171","0.0009","90","","95.289","0.002","90","","1812.15","0.18","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","<i>N</i>-Benzyl-8-methoxy-6,11-dimethyl-6,11-dihydro-5<i>H</i>- benzo[<i>b</i>]pyrimido[5,4-<i>f</i>]azepin-4-amine","","- C22 H24 N4 O -","- C22 H24 N4 O -","- C88 H96 N16 O4 -","4","1","YF3101","Acosta Quintero, Lina M.; Palma, Alirio; Cobo, Justo; Glidewell, Christopher","Six polycyclic pyrimidoazepine derivatives: syntheses, molecular structures and supramolecular assembly","Acta Crystallographica Section C","2016","72","4","346","357","10.1107/S2053229616004654","","","0.71073","MoKα","","0.0764","0.0466","","","0.1029","0.1151","","","","","","1.042","","","","has coordinates,has Fobs","182537","2020-10-21","18:00:00",""
"2020450","7.7594","0.0004","8.5383","0.0006","13.4525","0.0008","90","","100.483","0.003","90","","876.38","0.09","120","2","120","2","","","","","","","","3","P 1 21 1","P 2yb","4","","<i>N</i>-Benzyl-6-methyl-1,2,6,7-tetrahydropyrimido\ [5',4':6,7]azepino[3,2,1-<i>hi</i>]indol-8-amine","","- C22 H22 N4 -","- C22 H22 N4 -","- C44 H44 N8 -","2","1","YF3101","Acosta Quintero, Lina M.; Palma, Alirio; Cobo, Justo; Glidewell, Christopher","Six polycyclic pyrimidoazepine derivatives: syntheses, molecular structures and supramolecular assembly","Acta Crystallographica Section C","2016","72","4","346","357","10.1107/S2053229616004654","","","1.54178","CuKα","","0.0312","0.0304","","","0.0776","0.0784","","","","","","1.094","","","","has coordinates,has Fobs","182537","2020-10-21","18:00:00",""
"2020451","15.083","0.003","27.563","0.004","8.8681","0.0013","90","","90","","90","","3686.8","1.1","120","2","120","2","","","","","","","","3","P c c n","-P 2ab 2ac","56","","<i>N</i>-Benzyl-7-methyl-2,3,7,8-tetrahydro-1<i>H</i>-\ pyrimido[5',4':6,7]azepino[3,2,1-<i>ij</i>]quinolin-9-amine","","- C23 H24 N4 -","- C23 H24 N4 -","- C184 H192 N32 -","8","1","YF3101","Acosta Quintero, Lina M.; Palma, Alirio; Cobo, Justo; Glidewell, Christopher","Six polycyclic pyrimidoazepine derivatives: syntheses, molecular structures and supramolecular assembly","Acta Crystallographica Section C","2016","72","4","346","357","10.1107/S2053229616004654","","","0.71073","MoKα","","0.0651","0.0451","","","0.0951","0.1028","","","","","","1.048","","","","has coordinates,has Fobs","182537","2020-10-21","18:00:00",""
"2020452","11.898","0.002","28.663","0.006","8.343","0.002","90","","97.77","0.03","90","","2819.1","1","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Poly[diaquabis(μ~4~-biphenyl-3,4',5-tricarboxylato-κ^4^<i>O</i>^3^:<i>O</i>^3'^:<i>O</i>^5^:<i>O</i>^4'^)tris[μ~2~-1,4-bis(1<i>H</i>-imidazol-1-yl)benzene-κ^2^<i>N</i>^3^:<i>N</i>^3'^]dicopper(II)dicopper(I)]","","- C66 H48 Cu4 N12 O14 -","- C66 H48 Cu4 N12 O14 -","- C132 H96 Cu8 N24 O28 -","2","0.5","WQ3109","Liu, Ya-Hui; Lu, Li-Ping; Zhu, Miao-Li; Su, Feng","A three-dimensional mixed-valence Cu^II^/Cu^I^ coordination polymer constructed from biphenyl-3,4',5-tricarboxylate and 1,4-bis(1<i>H</i>-imidazol-1-yl)benzene ligands","Acta Crystallographica Section C","2016","72","4","358","362","10.1107/S2053229616004824","","","0.72","synchrotron","","0.0443","0.0383","","","0.0988","0.1018","","","","","","1.071","","","","has coordinates,has Fobs","182539","2020-10-21","18:00:00",""
"2020453","14.9328","0.0002","6.01143","0.0001","33.9985","0.0007","90","","102.601","0.0017","90","","2978.45","0.09","298","2","298","2","","","","","","","","3","P 1 21 1","P 2yb","4","","(<i>S</i>)-(+)-2-{[(1-Phenylethyl)imino]methyl}naphthalene","","- C19 H17 N -","- C19 H17 N -","- C152 H136 N8 -","8","4","HB7571","Hernández-Téllez, Guadalupe; Moreno, Gloria E.; Bernès, Sylvain; Mendoza, Angel; Portillo, Oscar; Sharma, Pankaj; Gutiérrez, René","Crystal structures of ten enantiopure Schiff bases bearing a naphthyl group","Acta Crystallographica Section E Crystallographic Communications","2016","72","4","583","","10.1107/S2056989016004692","","","1.54184","CuKα","","0.0543","0.0392","","","0.0829","0.092","","","","","","1.036","","","","has coordinates,has Fobs","180667","2020-10-21","18:00:00",""
"2020454","6.0946","0.0005","7.5732","0.0005","34.046","0.003","90","","90","","90","","1571.4","0.2","298","2","298","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","(<i>S</i>)-(+)-2-({[(4-Methylphenyl)ethyl]imino}methyl)naphthalene","","- C20 H19 N -","- C20 H19 N -","- C80 H76 N4 -","4","1","HB7571","Hernández-Téllez, Guadalupe; Moreno, Gloria E.; Bernès, Sylvain; Mendoza, Angel; Portillo, Oscar; Sharma, Pankaj; Gutiérrez, René","Crystal structures of ten enantiopure Schiff bases bearing a naphthyl group","Acta Crystallographica Section E Crystallographic Communications","2016","72","4","583","","10.1107/S2056989016004692","","","1.54184","CuKα","","0.068","0.0443","","","0.1002","0.1117","","","","","","1.076","","","","has coordinates,has Fobs","180667","2020-10-21","18:00:00",""
"2020455","6.1094","0.0005","7.7266","0.0007","34.225","0.004","90","","90","","90","","1615.6","0.3","298","2","298","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(<i>R</i>)-(‒)-2-({[(4-Methoxylphenyl)ethyl]imino}methyl)naphthalene","","- C20 H19 N O -","- C20 H19 N O -","- C80 H76 N4 O4 -","4","1","HB7571","Hernández-Téllez, Guadalupe; Moreno, Gloria E.; Bernès, Sylvain; Mendoza, Angel; Portillo, Oscar; Sharma, Pankaj; Gutiérrez, René","Crystal structures of ten enantiopure Schiff bases bearing a naphthyl group","Acta Crystallographica Section E Crystallographic Communications","2016","72","4","583","","10.1107/S2056989016004692","","","1.54184","CuKα","","0.132","0.0628","","","0.1222","0.1546","","","","","","1.081","","","","has coordinates,has Fobs","180667","2020-10-21","18:00:00",""
"2020456","7.595","0.0011","5.8997","0.0009","16.996","0.003","90","","99.42","0.015","90","","751.3","0.2","298","2","298","2","","","","","","","","4","P 1 21 1","P 2yb","4","","(<i>R</i>)-(‒)-2-({[(4-Fluorophenyl)ethyl]imino}methyl)naphthalene","","- C19 H16 F N -","- C19 H16 F N -","- C38 H32 F2 N2 -","2","1","HB7571","Hernández-Téllez, Guadalupe; Moreno, Gloria E.; Bernès, Sylvain; Mendoza, Angel; Portillo, Oscar; Sharma, Pankaj; Gutiérrez, René","Crystal structures of ten enantiopure Schiff bases bearing a naphthyl group","Acta Crystallographica Section E Crystallographic Communications","2016","72","4","583","","10.1107/S2056989016004692","","","0.71073","MoKα","","0.1136","0.0655","","","0.1352","0.153","","","","","","1.252","","","","has coordinates,has Fobs","180667","2020-10-21","18:00:00",""
"2020457","6.0567","0.0005","7.6139","0.0005","33.853","0.003","90","","90","","90","","1561.1","0.2","298","2","298","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(<i>S</i>)-(+)-2-({[(4-Chlorophenyl)ethyl]imino}methyl)naphthalene","","- C19 H16 Cl N -","- C19 H16 Cl N -","- C76 H64 Cl4 N4 -","4","1","HB7571","Hernández-Téllez, Guadalupe; Moreno, Gloria E.; Bernès, Sylvain; Mendoza, Angel; Portillo, Oscar; Sharma, Pankaj; Gutiérrez, René","Crystal structures of ten enantiopure Schiff bases bearing a naphthyl group","Acta Crystallographica Section E Crystallographic Communications","2016","72","4","583","","10.1107/S2056989016004692","","","0.71073","MoKα","","0.0811","0.0567","","","0.1246","0.1386","","","","","","1.068","","","","has coordinates,has Fobs","180667","2020-10-21","18:00:00",""
"2020458","6.0526","0.0002","7.6671","0.0004","33.9712","0.0019","90","","90","","90","","1576.46","0.13","298","2","298","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(<i>S</i>)-(+)-2-({[(4-Bromophenyl)ethyl]imino}methyl)naphthalene","","- C19 H16 Br N -","- C19 H16 Br N -","- C76 H64 Br4 N4 -","4","1","HB7571","Hernández-Téllez, Guadalupe; Moreno, Gloria E.; Bernès, Sylvain; Mendoza, Angel; Portillo, Oscar; Sharma, Pankaj; Gutiérrez, René","Crystal structures of ten enantiopure Schiff bases bearing a naphthyl group","Acta Crystallographica Section E Crystallographic Communications","2016","72","4","583","","10.1107/S2056989016004692","","","0.71073","MoKα","","0.0837","0.044","","","0.0832","0.0979","","","","","","1.02","","","","has coordinates,has Fobs","180667","2020-10-21","18:00:00",""
"2020459","7.8555","0.0005","7.8724","0.0004","14.0494","0.0009","90","","99.859","0.006","90","","856.01","0.09","298","2","298","2","","","","","","","","3","P 1 21 1","P 2yb","4","","(<i>S</i>)-(+)-2-({[1-(Naphthalen-1-yl)ethyl]imino}methyl)naphthalene","","- C23 H19 N -","- C23 H19 N -","- C46 H38 N2 -","2","1","HB7571","Hernández-Téllez, Guadalupe; Moreno, Gloria E.; Bernès, Sylvain; Mendoza, Angel; Portillo, Oscar; Sharma, Pankaj; Gutiérrez, René","Crystal structures of ten enantiopure Schiff bases bearing a naphthyl group","Acta Crystallographica Section E Crystallographic Communications","2016","72","4","583","","10.1107/S2056989016004692","","","0.71073","MoKα","","0.098","0.0481","","","0.0958","0.1185","","","","","","1.013","","","","has coordinates,has Fobs","180667","2020-10-21","18:00:00",""
"2020460","15.406","0.003","5.9722","0.0007","36.002","0.007","90","","102.058","0.018","90","","3239.4","1","298","2","298","2","","","","","","","","3","P 1 21 1","P 2yb","4","","(<i>S</i>)-(+)-2-{[(1-Cyclohexylethyl)imino]methyl}naphthalene","","- C19 H23 N -","- C19 H23 N -","- C152 H184 N8 -","8","4","HB7571","Hernández-Téllez, Guadalupe; Moreno, Gloria E.; Bernès, Sylvain; Mendoza, Angel; Portillo, Oscar; Sharma, Pankaj; Gutiérrez, René","Crystal structures of ten enantiopure Schiff bases bearing a naphthyl group","Acta Crystallographica Section E Crystallographic Communications","2016","72","4","583","","10.1107/S2056989016004692","","","0.71073","MoKα","","0.1929","0.0782","","","0.1573","0.2306","","","","","","0.993","","","","has coordinates,has Fobs","180667","2020-10-21","18:00:00",""
"2020461","7.7571","0.0013","5.9246","0.001","17.82","0.004","90","","92.682","0.016","90","","818.1","0.3","298","2","298","2","","","","","","","","3","P 1 21 1","P 2yb","4","","(<i>S</i>)-(‒)-2-{[(1,2,3,4-Tetrahydronaphthalen-1-yl)imino]methyl}naphthalene","","- C21 H19 N -","- C21 H19 N -","- C42 H38 N2 -","2","1","HB7571","Hernández-Téllez, Guadalupe; Moreno, Gloria E.; Bernès, Sylvain; Mendoza, Angel; Portillo, Oscar; Sharma, Pankaj; Gutiérrez, René","Crystal structures of ten enantiopure Schiff bases bearing a naphthyl group","Acta Crystallographica Section E Crystallographic Communications","2016","72","4","583","","10.1107/S2056989016004692","","","0.7107","MoKα","","0.108","0.0691","","","0.1566","0.1751","","","","","","1.442","","","","has coordinates,has Fobs","180667","2020-10-21","18:00:00",""
"2020462","6.32427","0.00018","14.4559","0.0003","18.5421","0.0005","90","","90","","90","","1695.17","0.08","150","1","150","1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","(+)-2-({[(1<i>S</i>,2<i>S</i>,3<i>S</i>,5<i>R</i>)-2,6,6-Trimethylbicyclo[3.1.1]hept-3-yl]imino}methyl}naphthalene","","- C21 H25 N -","- C21 H25 N -","- C84 H100 N4 -","4","1","HB7571","Hernández-Téllez, Guadalupe; Moreno, Gloria E.; Bernès, Sylvain; Mendoza, Angel; Portillo, Oscar; Sharma, Pankaj; Gutiérrez, René","Crystal structures of ten enantiopure Schiff bases bearing a naphthyl group","Acta Crystallographica Section E Crystallographic Communications","2016","72","4","583","","10.1107/S2056989016004692","","","1.54184","CuKα","","0.0526","0.0407","","","0.0956","0.1032","","","","","","1.034","","","","has coordinates,has Fobs","180667","2020-10-21","18:00:00",""
"2020463","6.307","0.0007","14.9614","0.0018","8.9198","0.0011","90","","93.457","0.001","90","","840.15","0.17","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","3-Amino-4-hydroxy-6-oxocyclohexa-2,4-dien-1-iminium chloride monohydrate","","- C6 H9 Cl N2 O3 -","- C6 H9 Cl N2 O3 -","- C24 H36 Cl4 N8 O12 -","4","1","SJ5497","Plater, M. John; Harrison, William T. A.","A purple odyssey: synthesis and structure of 3-amino-4-hydroxy-6-oxocyclohexa-2,4-dien-1-iminium chloride monohydrate","Acta Crystallographica Section E","2016","72","5","604","607","10.1107/S2056989016005107","","","0.71073","MoKα","","0.082","0.0721","","","0.1546","0.1586","","","","","","1.222","","","","has coordinates,has Fobs","183646","2020-10-21","18:00:00",""
"2020464","16.864","0.004","11.067","0.002","22.764","0.004","90","","90","","90","","4248.5","1.5","296","2","296","2","","","","","","","","5","P c c a","-P 2a 2ac","54","","Poly[[(μ~2~-3,3'-dimethyl-4,4'-bipyridine-κ^2^<i>N</i>:<i>N</i>')bis(μ~4~-4,4'-oxydibenzoato-κ^4^<i>O</i>:<i>O</i>':<i>O</i>'':<i>O</i>''')dizinc] tetrahydrate]","","- C40 H36 N2 O14 Zn2 -","- C40 H27.128 N2 O10 Zn2 -","- C160 H108.512 N8 O40 Zn8 -","4","0.5","FP3027","Liang, Feng-Lan; Ma, De-Yun; Qin, Liang","A hydrostable and twofold interpenetrating three-dimensional zinc‒organic framework with rob topology based on 4,4'-oxydibenzoate and 3,3'-dimethyl-4,4'-bipyridine ligands","Acta Crystallographica Section C","2016","72","5","373","378","10.1107/S205322961600437X","","","0.71073","MoKα","","0.051","0.0449","","","0.1239","0.1281","","","","","","1.059","","","","has coordinates,has disorder,has Fobs","183639","2020-10-21","18:00:00",""
"2020465","4.874","0.003","7.663","0.002","8.325","0.003","66.97","0.02","88.09","0.02","87.07","0.02","285.7","0.2","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","5-(Hydroxymethyl)uracil","","- C5 H6 N2 O3 -","- C5 H6 N2 O3 -","- C10 H12 N4 O6 -","2","1","","Seiler, Vanessa Kristina; Hützler, Wilhelm Maximilian; Bolte, Michael","Eight new crystal structures of 5-(hydroxymethyl)uracil, 5-carboxyuracil and 5-carboxy-2-thiouracil: insights into the hydrogen-bonded networks and the predominant conformations of the C5-bound residues","Acta Crystallographica Section C","2016","72","5","379","388","10.1107/S2053229616004861","","","0.71073","MoKα","","0.0774","0.0554","","","0.1316","0.1452","","","","","","1.053","","","","has coordinates,has Fobs","183641","2020-10-21","18:00:00",""
"2020466","8.671","0.003","12.394","0.002","9.381","0.002","90","","90.17","0.02","90","","1008.2","0.4","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","5-Carboxyuracil <i>N</i>,<i>N</i>-dimethylformamide monosolvate","","- C8 H11 N3 O5 -","- C8 H11 N3 O5 -","- C32 H44 N12 O20 -","4","1","","Seiler, Vanessa Kristina; Hützler, Wilhelm Maximilian; Bolte, Michael","Eight new crystal structures of 5-(hydroxymethyl)uracil, 5-carboxyuracil and 5-carboxy-2-thiouracil: insights into the hydrogen-bonded networks and the predominant conformations of the C5-bound residues","Acta Crystallographica Section C","2016","72","5","379","388","10.1107/S2053229616004861","","","0.71073","MoKα","","0.1153","0.0642","","","0.1419","0.165","","","","","","0.996","","","","has coordinates,has Fobs","183641","2020-10-21","18:00:00",""
"2020467","6.9341","0.0009","6.9015","0.0005","20.919","0.003","90","","96.604","0.01","90","","994.5","0.2","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","5-Carboxyuracil dimethyl sulfoxide monosolvate","","- C7 H10 N2 O5 S -","- C7 H10 N2 O5 S -","- C28 H40 N8 O20 S4 -","4","1","","Seiler, Vanessa Kristina; Hützler, Wilhelm Maximilian; Bolte, Michael","Eight new crystal structures of 5-(hydroxymethyl)uracil, 5-carboxyuracil and 5-carboxy-2-thiouracil: insights into the hydrogen-bonded networks and the predominant conformations of the C5-bound residues","Acta Crystallographica Section C","2016","72","5","379","388","10.1107/S2053229616004861","","","0.7107","MoKα","","0.0666","0.0457","","","0.0997","0.1052","","","","","","1.055","","","","has coordinates,has Fobs","183641","2020-10-21","18:00:00",""
"2020468","11.7707","0.0019","6.1053","0.001","15.271","0.003","90","","90.858","0.013","90","","1097.3","0.3","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","5-Carboxyuracil <i>N</i>,<i>N</i>-dimethylacetamide monosolvate","","- C9 H13 N3 O5 -","- C9 H13 N3 O5 -","- C36 H52 N12 O20 -","4","1","","Seiler, Vanessa Kristina; Hützler, Wilhelm Maximilian; Bolte, Michael","Eight new crystal structures of 5-(hydroxymethyl)uracil, 5-carboxyuracil and 5-carboxy-2-thiouracil: insights into the hydrogen-bonded networks and the predominant conformations of the C5-bound residues","Acta Crystallographica Section C","2016","72","5","379","388","10.1107/S2053229616004861","","","0.71073","MoKα","","0.1033","0.0596","","","0.1313","0.1501","","","","","","0.994","","","","has coordinates,has disorder,has Fobs","183641","2020-10-21","18:00:00",""
"2020469","10.1742","0.001","11.4616","0.0012","9.9715","0.0011","90","","104.318","0.008","90","","1126.7","0.2","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","4-Oxo-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxylic acid dimethylformamide monosolvate","","- C8 H11 N3 O4 S -","- C8 H11 N3 O4 S -","- C32 H44 N12 O16 S4 -","4","1","","Seiler, Vanessa Kristina; Hützler, Wilhelm Maximilian; Bolte, Michael","Eight new crystal structures of 5-(hydroxymethyl)uracil, 5-carboxyuracil and 5-carboxy-2-thiouracil: insights into the hydrogen-bonded networks and the predominant conformations of the C5-bound residues","Acta Crystallographica Section C","2016","72","5","379","388","10.1107/S2053229616004861","","","0.71073","MoKα","","0.049","0.0363","","","0.0885","0.0932","","","","","","1.079","","","","has coordinates,has disorder,has Fobs","183641","2020-10-21","18:00:00",""
"2020470","7.0475","0.0009","8.9534","0.0012","9.2802","0.0013","115.79","0.01","95.753","0.011","95.791","0.01","517.72","0.13","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","4-Oxo-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxylic acid dimethyl sulfoxide monosolvate","","- C7 H10 N2 O4 S2 -","- C7 H10 N2 O4 S2 -","- C14 H20 N4 O8 S4 -","2","1","","Seiler, Vanessa Kristina; Hützler, Wilhelm Maximilian; Bolte, Michael","Eight new crystal structures of 5-(hydroxymethyl)uracil, 5-carboxyuracil and 5-carboxy-2-thiouracil: insights into the hydrogen-bonded networks and the predominant conformations of the C5-bound residues","Acta Crystallographica Section C","2016","72","5","379","388","10.1107/S2053229616004861","","","0.71073","MoKα","","0.034","0.027","","","0.0675","0.07","","","","","","1.054","","","","has coordinates,has Fobs","183641","2020-10-21","18:00:00",""
"2020471","5.2819","0.0007","10.3542","0.0012","13.0071","0.0015","89.377","0.01","85.143","0.01","77.7","0.01","692.51","0.15","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","4-Oxo-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxylic acid 1,4-dioxane sesquisolvate","","- C11 H16 N2 O6 S -","- C11 H16 N2 O6 S -","- C22 H32 N4 O12 S2 -","2","1","","Seiler, Vanessa Kristina; Hützler, Wilhelm Maximilian; Bolte, Michael","Eight new crystal structures of 5-(hydroxymethyl)uracil, 5-carboxyuracil and 5-carboxy-2-thiouracil: insights into the hydrogen-bonded networks and the predominant conformations of the C5-bound residues","Acta Crystallographica Section C","2016","72","5","379","388","10.1107/S2053229616004861","","","0.71073","MoKα","","0.0431","0.0362","","","0.0975","0.1004","","","","","","1.037","","","","has coordinates,has Fobs","183641","2020-10-21","18:00:00",""
"2020472","11.409","0.003","15.552","0.003","7.369","0.002","90","","97.599","0.019","90","","1296","0.6","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","4-Oxo-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxylic acid","","- C5 H4 N2 O3 S -","- C5 H4 N2 O3 S -","- C40 H32 N16 O24 S8 -","8","2","","Seiler, Vanessa Kristina; Hützler, Wilhelm Maximilian; Bolte, Michael","Eight new crystal structures of 5-(hydroxymethyl)uracil, 5-carboxyuracil and 5-carboxy-2-thiouracil: insights into the hydrogen-bonded networks and the predominant conformations of the C5-bound residues","Acta Crystallographica Section C","2016","72","5","379","388","10.1107/S2053229616004861","","","0.71073","MoKα","","0.1632","0.0772","","","0.1357","0.1641","","","","","","0.96","","","","has coordinates,has Fobs","183641","2020-10-21","18:00:00",""
"2020473","24.8049","0.001","10.7126","0.0005","12.1932","0.0004","90","","95.929","0.001","90","","3222.7","0.2","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(2<i>SR</i>,4<i>RS</i>)-6,8-Dimethyl-2-(naphthalen-1-yl)-2,3,4,5-tetrahydro-1<i>H</i>-1,4-epoxy-1-benzazepine","","- C22 H21 N O -","- C22 H21 N O -","- C176 H168 N8 O8 -","8","2","WQ3111","Macías, Mario A.; Acosta, Lina M.; Sanabria, Carlos M.; Palma, Alirio; Roussel, Pascal; Gauthier, Gilles H.; Suescun, Leopoldo","Crystal structures of five new substituted tetrahydro-1-benzazepines with potential antiparasitic activity","Acta Crystallographica Section C","2016","72","5","363","372","10.1107/S2053229616004885","","","0.71073","MoKα","","0.056","0.0467","","","0.1156","0.1216","","","","","","1.042","","","","has coordinates,has Fobs","183645","2020-10-21","18:00:00",""
"2020474","7.5541","0.0003","14.7914","0.0005","15.4049","0.0005","90","","90","","90","","1721.28","0.11","298","2","298","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(2<i>SR</i>,4<i>RS</i>)-6,9-Dimethyl-2-(naphthalen-1-yl)-2,3,4,5-tetrahydro-1<i>H</i>-1,4-epoxy-1-benzazepine","","- C22 H21 N O -","- C22 H21 N O -","- C88 H84 N4 O4 -","4","1","","Macías, Mario A.; Acosta, Lina M.; Sanabria, Carlos M.; Palma, Alirio; Roussel, Pascal; Gauthier, Gilles H.; Suescun, Leopoldo","Crystal structures of five new substituted tetrahydro-1-benzazepines with potential antiparasitic activity","Acta Crystallographica Section C","2016","72","5","363","372","10.1107/S2053229616004885","","","0.71073","MoKα","","0.0769","0.0431","","","0.0954","0.1094","","","","","","1.029","","","","has coordinates,has Fobs","183645","2020-10-21","18:00:00",""
"2020475","7.2201","0.0002","7.8128","0.0003","14.7409","0.0005","90","","93.69","0.002","90","","829.8","0.05","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","(2<i>SR</i>,4<i>RS</i>)-8,9-Dimethyl-2-(naphthalen-1-yl)-2,3,4,5-tetrahydro-1<i>H</i>-1,4-epoxy-1-benzazepine","","- C22 H21 N O -","- C22 H21 N O -","- C44 H42 N2 O2 -","2","1","","Macías, Mario A.; Acosta, Lina M.; Sanabria, Carlos M.; Palma, Alirio; Roussel, Pascal; Gauthier, Gilles H.; Suescun, Leopoldo","Crystal structures of five new substituted tetrahydro-1-benzazepines with potential antiparasitic activity","Acta Crystallographica Section C","2016","72","5","363","372","10.1107/S2053229616004885","","","0.71073","MoKα","","0.0355","0.0333","","","0.09","0.0919","","","","","","1.038","","","","has coordinates,has Fobs","183645","2020-10-21","18:00:00",""
"2020476","7.5932","0.0003","7.5859","0.0004","51.01","0.003","90","","90","","90","","2938.2","0.3","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","7-Fluoro-<i>cis</i>-2-[(<i>E</i>)-styryl]-2,3,4,5-tetrahydro-1<i>H</i>-1-\ benzazepin-4-ol","","- C18 H18 F N O -","- C18 H18 F N O -","- C144 H144 F8 N8 O8 -","8","1","","Macías, Mario A.; Acosta, Lina M.; Sanabria, Carlos M.; Palma, Alirio; Roussel, Pascal; Gauthier, Gilles H.; Suescun, Leopoldo","Crystal structures of five new substituted tetrahydro-1-benzazepines with potential antiparasitic activity","Acta Crystallographica Section C","2016","72","5","363","372","10.1107/S2053229616004885","","","0.71073","MoKα","","0.0502","0.045","","","0.1049","0.1077","","","","","","1.087","","","","has coordinates,has Fobs","183645","2020-10-21","18:00:00",""
"2020477","25.119","0.002","25.119","0.002","11.2812","0.0012","90","","90","","120","","6164.4","1","298","2","298","2","","","","","","","","5","R -3 :H","-R 3","148","","7-Fluoro-<i>cis</i>-2-[(<i>E</i>)-pent-1-enyl]-2,3,4,5-tetrahydro-1<i>H</i>-1-benzazepin-4-ol","","- C15 H20 F N O -","- C15 H20 F N O -","- C270 H360 F18 N18 O18 -","18","1","","Macías, Mario A.; Acosta, Lina M.; Sanabria, Carlos M.; Palma, Alirio; Roussel, Pascal; Gauthier, Gilles H.; Suescun, Leopoldo","Crystal structures of five new substituted tetrahydro-1-benzazepines with potential antiparasitic activity","Acta Crystallographica Section C","2016","72","5","363","372","10.1107/S2053229616004885","","","0.71073","MoKα","","0.0897","0.0663","","","0.1997","0.2288","","","","","","1.069","","","","has coordinates,has disorder,has Fobs","183645","2020-10-21","18:00:00",""
"2020478","49.395","0.002","49.395","0.002","11.1802","0.0005","90","","90","","120","","23623.6","1.7","100","2","100","2","","","","","","","","5","R -3 :H","-R 3","148","","7-Fluoro-<i>cis</i>-2-[(<i>E</i>)-pent-1-enyl]-2,3,4,5-tetrahydro-1<i>H</i>-1-benzazepin-4-ol","","- C15 H20 F N O -","- C15 H20 F N O -","- C1080 H1440 F72 N72 O72 -","72","4","","Macías, Mario A.; Acosta, Lina M.; Sanabria, Carlos M.; Palma, Alirio; Roussel, Pascal; Gauthier, Gilles H.; Suescun, Leopoldo","Crystal structures of five new substituted tetrahydro-1-benzazepines with potential antiparasitic activity","Acta Crystallographica Section C","2016","72","5","363","372","10.1107/S2053229616004885","","","0.71073","MoKα","","0.0721","0.0459","","","0.109","0.1217","","","","","","1.024","","","","has coordinates,has disorder,has Fobs","183645","2020-10-21","18:00:00",""
"2020479","9.9863","0.0004","10.3722","0.0005","15.7502","0.0007","91.755","0.004","99.029","0.005","95.042","0.003","1603.32","0.13","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","<i>catena</i>-Poly[[[aqua{4-[4-(1<i>H</i>-imidazol-1-yl-κ<i>N</i>^3^)phenyl]pyridine}cadmium(II)]-μ-5-hydroxybenzene-1,3-dicarboxylato-κ^3^<i>O</i>^1^,<i>O</i>^1'^:<i>O</i>^3^] monohydrate]","","- C36 H30 Cd N6 O7 -","- C36 H30 Cd N6 O7 -","- C72 H60 Cd2 N12 O14 -","2","1","FN3215","Zhang, Zhi-Liang; Liu, Jia-Cheng","A new one-dimensional cadmium(II) coordination polymer incorporating 4-[4-(1<i>H</i>-imidazol-1-yl)phenyl]pyridine and 5-hydroxybenzene-1,3-dicarboxylate ligands","Acta Crystallographica Section C","2016","72","5","389","392","10.1107/S2053229616004587","","","0.71073","MoKα","","0.033","0.0289","","","0.0689","0.0711","","","","","","1.048","","","","has coordinates,has Fobs","183638","2020-10-21","18:00:00",""
"2020480","13.0087","0.0012","7.2092","0.0006","17.0024","0.0016","90","","101.297","0.007","90","","1563.6","0.2","173","","173","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","2,4-dinitro-N-(2-(3,4-dimethoxy)phenylethyl)aniline","<i>N</i>-[2-(3,4-Dimethoxyphenyl)ethyl]-2,4-dinitroaniline","","- C16 H17 N3 O6 -","- C16 H17 N3 O6 -","- C64 H68 N12 O24 -","4","1","QS3054","Badour, Alec R.; Wisniewski, John A.; Mohanty, Dillip K.; Squattrito, Philip J.","Two <i>N</i>-(2-phenylethyl)nitroaniline derivatives as precursors for slow and sustained nitric oxide release agents","Acta Crystallographica Section C","2016","72","5","405","410","10.1107/S2053229616005763","","","0.71075","MoKα","","","0.0394","","","","0.1018","","","","","","1.035","","","","has coordinates,has Fobs","183634","2020-10-21","18:00:00",""
"2020481","21.26","0.003","5.7264","0.0006","14.2762","0.0016","90","","103.456","0.007","90","","1690.3","0.4","173","","173","","","","","","","","","5","C 1 2 1","C 2y","5","(4-methylsulfonyl-2-nitrophenyl)-N-L-phenylalanine","<i>N</i>-(4-Methylsulfonyl-2-nitrophenyl)-<i>L</i>-phenylalanine","","- C16 H16 N2 O6 S -","- C16 H16 N2 O6 S -","- C64 H64 N8 O24 S4 -","4","1","QS3054","Badour, Alec R.; Wisniewski, John A.; Mohanty, Dillip K.; Squattrito, Philip J.","Two <i>N</i>-(2-phenylethyl)nitroaniline derivatives as precursors for slow and sustained nitric oxide release agents","Acta Crystallographica Section C","2016","72","5","405","410","10.1107/S2053229616005763","","","0.71075","MoKα","","0.0476","0.0385","","","0.088","0.0923","","","","","","1.028","","","","has coordinates,has Fobs","183634","2020-10-21","18:00:00",""
"2020482","6.9028","0.0006","11.0334","0.001","24.451","0.002","90","","90","","90","","1862.2","0.3","100","","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","17α-Methyl-10β,17β-dihydroxyestr-4-en-3-one dihydrate","","- C19 H32 O5 -","- C19 H32 O5 -","- C76 H128 O20 -","4","1","FP3028","Faroque, Muhammad Umer; Yousuf, Sammer; Zafar, Salman; Choudhary, M. Iqbal; Ahmed, Maqsood","Transferred multipolar atom model for 10β,17β-dihydroxy-17α-methylestr-4-en-3-one dihydrate obtained from the biotransformation of methyloestrenolone","Acta Crystallographica Section C","2016","72","5","398","404","10.1107/S2053229616005441","","","0.71073","MoKα","","0.0478","0.0478","","","0.1161","0.1161","","","","","","0.949","","","","has coordinates,has Fobs","183635","2020-10-21","18:00:00",""
"2020483","11.7012","0.0007","16.2076","0.001","35.285","0.002","90","","90","","90","","6691.7","0.7","298","2","298","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","[2,6-Bis(di-<i>tert</i>-butylphosphinoyl)-4-(3,5-dinitrobenzoyloxy)phenyl-κ^3^<i>P</i>,<i>C</i>^1^,<i>P</i>']chloridonickel(II)","","- C29 H41 Cl N2 Ni O8 P2 -","- C29 H41 Cl N2 Ni O8 P2 -","- C232 H328 Cl8 N16 Ni8 O64 P16 -","8","1","","García-Eleno, Marco A.; Quezada-Miriel, Magdalena; Reyes-Martínez, Reyna; Hernández-Ortega, Simón; Morales-Morales, David","A comparative study of the packing of two polymorphs of the nickel(II) pincer complex [2,6-bis(di-<i>tert</i>-butylphosphinoyl)-4-(3,5-dinitrobenzoyloxy)phenyl-κ^3^<i>P</i>,<i>C</i>^1^,<i>P</i>']chloridonickel(II)","Acta Crystallographica Section C","2016","72","5","393","397","10.1107/S2053229616005143","","","0.71073","MoKα","","0.0863","0.0569","","","0.1062","0.1156","","","","","","1.088","","","","has coordinates,has disorder,has Fobs","183643","2020-10-21","18:00:00",""
"2020484","10.9248","0.0009","21.5339","0.0018","15.071","0.0012","90","","101.851","0.001","90","","3469.9","0.5","298","2","298","2","","","","","","","","7","C 1 c 1","C -2yc","9","","[2,6-Bis(di-<i>tert</i>-butylphosphinoyl)-4-(3,5-dinitrobenzoyloxy)phenyl-κ^3^<i>P</i>,<i>C</i>^1^,<i>P</i>']chloridonickel(II)","","- C29 H41 Cl N2 Ni O8 P2 -","- C29 H41 Cl N2 Ni O8 P2 -","- C116 H164 Cl4 N8 Ni4 O32 P8 -","4","1","","García-Eleno, Marco A.; Quezada-Miriel, Magdalena; Reyes-Martínez, Reyna; Hernández-Ortega, Simón; Morales-Morales, David","A comparative study of the packing of two polymorphs of the nickel(II) pincer complex [2,6-bis(di-<i>tert</i>-butylphosphinoyl)-4-(3,5-dinitrobenzoyloxy)phenyl-κ^3^<i>P</i>,<i>C</i>^1^,<i>P</i>']chloridonickel(II)","Acta Crystallographica Section C","2016","72","5","393","397","10.1107/S2053229616005143","","","0.71073","MoKα","","0.0505","0.0417","","","0.086","0.0899","","","","","","0.98","","","","has coordinates,has Fobs","183643","2020-10-21","18:00:00",""
"2020485","8.4228","0.0001","7.9082","0.0001","16.2102","0.0003","90","","97.152","0.002","90","","1071.35","0.03","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","4-(2-Methoxyphenyl)-4-thiazoline-2-thione","","- C10 H9 N O S2 -","- C10 H9 N O S2 -","- C40 H36 N4 O4 S8 -","4","1","","Balti, Monaem; Norberg, Bernadette; Efrit, Mohamed Lotfi; Lanners, Steve; Wouters, Johan","Conformation and tautomerism of methoxy-substituted 4-phenyl-4-thiazoline-2-thiones: a combined crystallographic and <i>ab initio</i> investigation","Acta Crystallographica Section C","2016","72","5","421","425","10.1107/S2053229616006069","","","1.54184","CuKα","","0.03","0.0277","","","0.0738","0.0751","","","","","","1.062","","","","has coordinates,has disorder,has Fobs","183636","2020-10-21","18:00:00",""
"2020486","4.7187","0.0003","12.0438","0.0007","17.8972","0.0011","90","","93.752","0.006","90","","1014.94","0.11","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","4-(4-Methoxyphenyl)-4-thiazoline-2-thione","","- C10 H9 N O S2 -","- C10 H9 N O S2 -","- C40 H36 N4 O4 S8 -","4","1","","Balti, Monaem; Norberg, Bernadette; Efrit, Mohamed Lotfi; Lanners, Steve; Wouters, Johan","Conformation and tautomerism of methoxy-substituted 4-phenyl-4-thiazoline-2-thiones: a combined crystallographic and <i>ab initio</i> investigation","Acta Crystallographica Section C","2016","72","5","421","425","10.1107/S2053229616006069","","","0.71073","MoKα","","0.0428","0.0337","","","0.0796","0.0843","","","","","","1.062","","","","has coordinates,has Fobs","183636","2020-10-21","18:00:00",""
"2020487","18.474","0.0012","25.4633","0.0018","19.3663","0.0013","90","","100.036","0.002","90","","8970.7","1.1","150","2","150","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","(PPh4)[V2(PS3'')2(mu-OMe)3]","Tetraphenylphosphonium tri-μ-methanolato-κ^6^<i>O</i>:<i>O</i>-bis({tris[2-sulfanidyl-3-(trimethylsilyl)phenyl]phosphane-κ^4^<i>P</i>,<i>S</i>,<i>S</i>',<i>S</i>''}vanadium(IV)) methanol disolvate","","- C83 H109 O5 P3 S6 Si6 V2 -","- C83 H101 O5 P3 S6 Si6 V2 -","- C332 H404 O20 P12 S24 Si24 V8 -","4","0.5","YO3020","Wu, Hong-Ming; Chang, Ya-Ho; Su, Chia-Lin; Lee, Gene-Hsiang; Hsu, Hua-Fen","A non-oxo methanolate-bridged divanadium(IV) complex with tris(2-sulfanidylphenyl)phosphane ligands: synthesis, structural characterization and magnetic investigation","Acta Crystallographica Section C","2016","72","5","416","420","10.1107/S2053229616005222","","","0.71073","MoKα","","0.1369","0.0877","","","0.1712","0.1912","","","","","","1.097","","","","has coordinates,has disorder,has Fobs","183637","2020-10-21","18:00:00",""
"2020488","8.1048","0.0004","10.3928","0.0006","11.574","0.0006","100.957","0.005","96.178","0.004","99.694","0.005","933.59","0.09","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","<i>catena</i>-Poly[bis[4-bromo-2-({[2-(pyrrolidin-1-yl)ethyl]imino}methyl)phenolato-κ^3^<i>N</i>,<i>N</i>',<i>O</i>]di-μ~3~-chlorido-di-μ~2~-chlorido-bis(methanol-κ<i>O</i>)tricadmium(II)]","","- C28 H40 Br2 Cd3 Cl4 N4 O4 -","- C28 H40 Br2 Cd3 Cl4 N4 O4 -","- C28 H40 Br2 Cd3 Cl4 N4 O4 -","1","0.5","LF3032","Yahsi, Yasemin; Ozbek, Hatice; Aygun, Muhittin; Kara, Hulya","Crystal structure and photoluminescence properties of a new Cd^II^ coordination polymer <i>catena</i>-poly[bis[4-bromo-2-({[2-(pyrrolidin-1-yl)ethyl]imino}methyl)phenolato-κ^3^<i>N</i>,<i>N</i>',<i>O</i>]di-μ~3~-chlorido-di-μ~2~-chlorido-bis(methanol-κ<i>O</i>)tricadmium(II)]","Acta Crystallographica Section C","2016","72","5","426","431","10.1107/S2053229616005180","","","0.71073","MoKα","","0.051","0.0368","","","0.0758","0.0822","","","","","","1.0343","","","","has coordinates,has Fobs","183644","2020-10-21","18:00:00",""
"2020489","6.667","0.003","12.16","0.004","12.911","0.004","72.3","0.03","81.03","0.03","85.57","0.03","984.5","0.7","99.98","0.13","99.98","0.13","","","","","","","","6","P -1","-P 1","2","","2-Aminopyridinium hexaaquaaluminium(III) bis(sulfate) tetrahydrate","","- C5 H27 Al N2 O18 S2 -","- C5 H27 Al N2 O18 S2 -","- C10 H54 Al2 N4 O36 S4 -","2","1","WQ3112","Bednarchuk, Tamara J.; Kinzhybalo, Vasyl; Pietraszko, Adam","Synthesis, structure and characterization of five new organically templated metal sulfates with 2-aminopyridinium","Acta Crystallographica Section C","2016","72","5","432","441","10.1107/S2053229616006458","","","0.71073","MoKα","","0.0522","0.036","","","0.0836","0.0928","","","","","","1.022","","","","has coordinates,has Fobs","183642","2020-10-21","18:00:00",""
"2020490","6.64","0.003","11.71","0.004","14.294","0.004","67.97","0.03","81.57","0.03","85.39","0.03","1018.8","0.7","100","0.15","100","0.15","","","","","","","","6","P -1","-P 1","2","","Bis(2-aminopyridinium) tris[hexaaquacobalt(II)] tetrakis(sulfate) dihydrate","","- C10 H54 Co3 N4 O36 S4 -","- C10 H54 Co3 N4 O36 S4 -","- C10 H54 Co3 N4 O36 S4 -","1","0.5","","Bednarchuk, Tamara J.; Kinzhybalo, Vasyl; Pietraszko, Adam","Synthesis, structure and characterization of five new organically templated metal sulfates with 2-aminopyridinium","Acta Crystallographica Section C","2016","72","5","432","441","10.1107/S2053229616006458","","","0.71073","MoKα","","0.0428","0.0314","","","0.0632","0.0686","","","","","","1.055","","","","has coordinates,has disorder,has Fobs","183642","2020-10-21","18:00:00",""
"2020491","6.682","0.003","11.807","0.004","14.309","0.004","68.23","0.03","82.13","0.03","84.76","0.03","1037.5","0.7","100","0.13","100","0.13","","","","","","","","6","P -1","-P 1","2","","Bis(2-aminopyridinium) tris[hexaaquamagnesium(II)] tetrakis(sulfate) dihydrate","","- C10 H54 Mg3 N4 O36 S4 -","- C10 H54 Mg3 N4 O36 S4 -","- C10 H54 Mg3 N4 O36 S4 -","1","0.5","","Bednarchuk, Tamara J.; Kinzhybalo, Vasyl; Pietraszko, Adam","Synthesis, structure and characterization of five new organically templated metal sulfates with 2-aminopyridinium","Acta Crystallographica Section C","2016","72","5","432","441","10.1107/S2053229616006458","","","0.71073","MoKα","","0.0574","0.04","","","0.0811","0.0894","","","","","","1.03","","","","has coordinates,has disorder,has Fobs","183642","2020-10-21","18:00:00",""
"2020492","6.97","0.003","7.913","0.003","11.391","0.004","72.31","0.03","89.57","0.03","64.2","0.03","533.2","0.4","99.99","0.17","99.99","0.17","","","","","","","","6","P -1","-P 1","2","","Bis(2-aminopyridinium) hexaaquanickel(II) bis(sulfate)","","- C10 H26 N4 Ni O14 S2 -","- C10 H26 N4 Ni O14 S2 -","- C10 H26 N4 Ni O14 S2 -","1","0.5","","Bednarchuk, Tamara J.; Kinzhybalo, Vasyl; Pietraszko, Adam","Synthesis, structure and characterization of five new organically templated metal sulfates with 2-aminopyridinium","Acta Crystallographica Section C","2016","72","5","432","441","10.1107/S2053229616006458","","","0.71073","MoKα","","0.033","0.026","","","0.0571","0.0596","","","","","","1.068","","","","has coordinates,has Fobs","183642","2020-10-21","18:00:00",""
"2020493","6.977","0.003","7.929","0.003","11.441","0.004","72.25","0.03","89.53","0.03","64.45","0.03","538.2","0.4","100","0.15","100","0.15","","","","","","","","6","P -1","-P 1","2","","Bis(2-aminopyridinium) hexaaquazinc(II) bis(sulfate)","","- C10 H26 N4 O14 S2 Zn -","- C10 H26 N4 O14 S2 Zn -","- C10 H26 N4 O14 S2 Zn -","1","0.5","","Bednarchuk, Tamara J.; Kinzhybalo, Vasyl; Pietraszko, Adam","Synthesis, structure and characterization of five new organically templated metal sulfates with 2-aminopyridinium","Acta Crystallographica Section C","2016","72","5","432","441","10.1107/S2053229616006458","","","0.71073","MoKα","","0.0515","0.037","","","0.0717","0.0783","","","","","","1.079","","","","has coordinates,has Fobs","183642","2020-10-21","18:00:00",""
"2020494","9.71","0.009","10.891","0.012","15.546","0.016","77.129","0.015","74.474","0.015","65.034","0.015","1425","3","296.15","","296.15","","","","","","","","","5","P -1","-P 1","2","","Bis(μ-4,4'-oxydibenzoato)-κ^3^<i>O</i>,<i>O</i>':<i>O</i>'';κ^3^<i>O</i>'':<i>O</i>,<i>O</i>'-bis[(4'-phenyl-2,2':6',2''-terpyridine-κ^3^<i>N</i>,<i>N</i>',<i>N</i>'')cobalt(II)]","","- C70 H46 Co2 N6 O10 -","- C70 H46 Co2 N6 O10 -","- C70 H46 Co2 N6 O10 -","1","0.5","EG3201","Liu, Runqiang; Zhao, Ning; Liu, Ping; An, Caixia; Lian, Zhaoxun","Enhanced third-order nonlinear optical properties determined in thin films using the Z-scan technique: bis(μ-4,4'-oxydibenzoato)bis[(4'-phenyl-2,2':6',2''-terpyridine)cobalt(II)]","Acta Crystallographica Section C","2016","72","5","451","455","10.1107/S2053229616006677","","","0.71073","MoKα","","0.0531","0.0422","","","0.1148","0.1208","","","","","","1.091","","","","has coordinates,has Fobs","183640","2020-10-21","18:00:00",""
"2020495","10.3553","0.0008","10.5983","0.001","12.4594","0.0008","114.574","0.006","104.4","0.006","99.442","0.005","1147.61","0.18","298","1","298","1","","","","","","","","6","P -1","-P 1","2","","Bis[(pentafluorophenyl)diphenylphosphane-κ<i>P</i>]bis(2,3,5,6-tetrafluorophenylthiolato-κ<i>S</i>)platinum(II)","","- C48 H22 F18 P2 Pt S2 -","- C48 H22 F18 P2 Pt S2 -","- C48 H22 F18 P2 Pt S2 -","1","0.5","LY3024","Bernès, Sylvain; Meléndez, Francisco J.; Torrens, Hugo","<i>Cis</i>‒<i>trans</i> isomerism in a square-planar platinum(II) complex bearing bulky fluorinated phosphane ligands","Acta Crystallographica Section C","2016","72","4","268","273","10.1107/S2053229616003132","","","0.71073","MoKα","","0.0217","0.0217","","","0.0566","0.0566","","","","","","1.074","","","","has coordinates,has Fobs","182534","2020-10-21","18:00:00",""
"2020496","20.348","0.003","19.511","0.002","22.6059","0.0018","90","","90","","90","","8974.8","1.8","298","1","298","1","","","","","","","","6","P b c a","-P 2ac 2ab","61","","Bis[(pentafluorophenyl)diphenylphosphane-κ<i>P</i>]bis(2,3,5,6-tetrafluorophenylthiolato-κ<i>S</i>)platinum(II)","","- C48 H22 F18 P2 Pt S2 -","- C48 H22 F18 P2 Pt S2 -","- C384 H176 F144 P16 Pt8 S16 -","8","1","LY3024","Bernès, Sylvain; Meléndez, Francisco J.; Torrens, Hugo","<i>Cis</i>‒<i>trans</i> isomerism in a square-planar platinum(II) complex bearing bulky fluorinated phosphane ligands","Acta Crystallographica Section C","2016","72","4","268","273","10.1107/S2053229616003132","","","0.71073","MoKα","","0.1028","0.0552","","","0.1278","0.1545","","","","","","1.014","","","","has coordinates,has Fobs","182534","2020-10-21","18:00:00",""
"2020497","9.2372","0.0015","9.7244","0.0016","14.511","0.002","79.099","0.002","83.298","0.002","75.012","0.002","1233.2","0.3","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","Poly[[aqua(μ~2~-4,4'-bipyridine-κ^2^<i>N</i>:<i>N</i>')bis(μ~3~-2,2-dimethylbutanedioato)-κ^4^<i>O</i>^1^,<i>O</i>^1'^:<i>O</i>^4^:<i>O</i>^4'^;κ^5^<i>O</i>^1^:<i>O</i>^1^,<i>O</i>^4^:<i>O</i>^4^,<i>O</i>^4'^-dizinc(II)] dihydrate]","","- C22 H30 N2 O11 Zn2 -","- C22 H30 N2 O11 Zn2 -","- C44 H60 N4 O22 Zn4 -","2","1","YF3098","Liu, Yang; Feng, Yong-Lan; Fu, Wei-Wei","A two-dimensional zinc(II) coordination polymer based on mixed dimethyl succinate and bipyridine ligands: synthesis, structure, thermostability and luminescence properties","Acta Crystallographica Section C","2016","72","4","308","312","10.1107/S2053229616003211","","","0.71073","MoKα","","0.0406","0.0322","","","0.0795","0.0835","","","","","","1.083","","","","has coordinates,has Fobs","182535","2020-10-21","18:00:00",""
"2020498","36.5539","0.0017","6.0781","0.0002","16.5167","0.0007","90","","102.228","0.004","90","","3586.4","0.3","295","2","295","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","Tetramethylammonium 2-hydroxy-5-[(<i>E</i>)-(4-nitrophenyl)diazenyl]benzoate","","- C17 H20 N4 O5 -","- C17 H20 N4 O5 -","- C136 H160 N32 O40 -","8","1","LG3183","Yatsenko, Alexandr V.; Paseshnichenko, Ksenia A.","Carboxylate‒phenolate tautomerism in 5-[(nitrophenyl)diazenyl]salicylate anions","Acta Crystallographica Section C","2016","72","4","274","279","10.1107/S2053229616003193","","","0.71073","MoKα","","0.0702","0.0337","","","0.0776","0.0889","","","","","","0.937","","","","has coordinates,has Fobs","182536","2020-10-21","18:00:00",""
"2020499","13.4305","0.0007","6.782","0.0004","19.4498","0.0011","90","","92.935","0.004","90","","1769.27","0.17","295","2","295","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Tetramethylammonium 2-hydroxy-5-[(<i>E</i>)-(2-nitrophenyl)diazenyl]benzoate","","- C17 H20 N4 O5 -","- C17 H20 N4 O5 -","- C68 H80 N16 O20 -","4","1","LG3183","Yatsenko, Alexandr V.; Paseshnichenko, Ksenia A.","Carboxylate‒phenolate tautomerism in 5-[(nitrophenyl)diazenyl]salicylate anions","Acta Crystallographica Section C","2016","72","4","274","279","10.1107/S2053229616003193","","","0.71073","MoKα","","0.1018","0.046","","","0.0772","0.0903","","","","","","1.02","","","","has coordinates,has Fobs","182536","2020-10-21","18:00:00",""
"2020500","9.3079","0.0017","9.4339","0.0017","15.195","0.003","90","","107.835","0.002","90","","1270.1","0.4","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","4-Methyl-1<i>H</i>imidazol-3-ium picrate","4-Methyl-1<i>H</i>-imidazol-3-ium 2,4,6-trinitrophenolate","","- C10 H9 N5 O7 -","- C10 H9 N5 O7 -","- C40 H36 N20 O28 -","4","1","LH5809","Song, Xue-gang; Su, Ping; Xu, Xing-man","Hydrogen-bonded network in the salt 4-methyl-1H-imidazol-3-ium picrate","Acta Crystallographica Section E Crystallographic Communications","2016","72","6","772","","10.1107/S205698901600712X","","","0.71073","MoKα","","0.0866","0.0524","","","0.1022","0.1103","","","","","","1.035","","","","has coordinates,has Fobs","182568","2020-10-21","18:00:00",""
"2020501","5.2513","0.0002","13.9534","0.0006","16.0336","0.0007","101.766","0.0005","93.23","0.0005","99.0746","0.0005","1130.99","0.08","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","1,1'-Methylenebis(3-butylimidazolium) diiodide acetonitrile monosolvate","","- C17 H29 I2 N5 -","- C17 H29 I2 N5 -","- C34 H58 I4 N10 -","2","1","EG3202","Cebollada, Andrea; Vellé, Alba; Sanz Miguel, Pablo J.","Hirshfeld and DFT analysis of the N-heterocyclic carbene proligand methylenebis(N-butylimidazolium) as the acetonitrile-solvated diiodide salt","Acta Crystallographica Section C Structural Chemistry","2016","72","6","","","10.1107/S2053229616006781","","","0.71073","MoKα","","0.0215","0.0188","","","0.0455","0.0468","","","","","","1.069","","","","has coordinates,has Fobs","182688","2020-10-21","18:00:00",""
"2020502","7.715","0.002","10.598","0.003","35.481","0.009","90","","90","","90","","2901.1","1.3","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","Adenosine 3':5'-cyclic phosphate dihydrate","Adenosine 3':5'-cyclic phosphate dihydrate","","- C10 H16 N5 O8 P -","- C10 H16 N5 O8 P -","- C80 H128 N40 O64 P8 -","8","2","","Ślepokura, Katarzyna Anna","Purine 3':5'-cyclic nucleotides with the nucleobase in a <i>syn</i> orientation: cAMP, cGMP and cIMP","Acta Crystallographica Section C","2016","72","6","","","10.1107/S2053229616006999","","","0.71073","MoKα","","0.0721","0.0464","","","0.083","0.0901","","","","","","1.008","","","","has coordinates,has Fobs","182819","2020-10-21","18:00:00",""
"2020503","7.786","0.002","10.638","0.003","29.887","0.008","90","","90","","90","","2475.5","1.2","120","2","120","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","Adenosine 3':5'-cyclic phosphate 0.3-hydrate","Adenosine 3':5'-cyclic phosphate 0.3-hydrate","","- C10 H12.6 N5 O6.3 P -","- C10 H12.63 N5 O6.315 P -","- C80 H101.04 N40 O50.52 P8 -","8","2","","Ślepokura, Katarzyna Anna","Purine 3':5'-cyclic nucleotides with the nucleobase in a <i>syn</i> orientation: cAMP, cGMP and cIMP","Acta Crystallographica Section C","2016","72","6","","","10.1107/S2053229616006999","","","1.5418","CuKα","","0.0578","0.0515","","","0.1297","0.1343","","","","","","1.047","","","","has coordinates,has Fobs","182819","2020-10-21","18:00:00",""
"2020504","6.691","0.002","13.555","0.003","19.863","0.004","90","","90","","90","","1801.5","0.8","298","2","298","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","Guanosine 3':5'-cyclic phosphate pentahydrate","Guanosine 3':5'-cyclic phosphate pentahydrate","","- C10 H22 N5 O12 P -","- C10 H12 N5 O12 P -","- C40 H48 N20 O48 P4 -","4","1","","Ślepokura, Katarzyna Anna","Purine 3':5'-cyclic nucleotides with the nucleobase in a <i>syn</i> orientation: cAMP, cGMP and cIMP","Acta Crystallographica Section C","2016","72","6","","","10.1107/S2053229616006999","","","0.71073","MoKα","","0.077","0.0622","","","0.1371","0.146","","","","","","1.124","","","","has coordinates,has disorder,has Fobs","182819","2020-10-21","18:00:00",""
"2020505","7.206","0.002","12.669","0.003","18.754","0.003","90","","90","","90","","1712.1","0.7","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","Guanosine 3':5'-cyclic phosphate sodium salt tetrahydrate","Guanosine 3':5'-cyclic phosphate sodium salt tetrahydrate","","- C10 H19 N5 Na O11 P -","- C10 H19 N5 Na O11 P -","- C40 H76 N20 Na4 O44 P4 -","4","1","","Ślepokura, Katarzyna Anna","Purine 3':5'-cyclic nucleotides with the nucleobase in a <i>syn</i> orientation: cAMP, cGMP and cIMP","Acta Crystallographica Section C","2016","72","6","","","10.1107/S2053229616006999","","","0.71073","MoKα","","0.0309","0.0284","","","0.0735","0.075","","","","","","1.103","","","","has coordinates,has disorder,has Fobs","182819","2020-10-21","18:00:00",""
"2020506","6.652","0.002","14.726","0.003","17.208","0.004","90","","90","","90","","1685.7","0.7","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","Inosine 3':5'-cyclic phosphate sodium salt tetrahydrate","Inosine 3':5'-cyclic phosphate sodium salt tetrahydrate","","- C10 H18 N4 Na O11 P -","- C10 H18 N4 Na O11 P -","- C40 H72 N16 Na4 O44 P4 -","4","1","","Ślepokura, Katarzyna Anna","Purine 3':5'-cyclic nucleotides with the nucleobase in a <i>syn</i> orientation: cAMP, cGMP and cIMP","Acta Crystallographica Section C","2016","72","6","","","10.1107/S2053229616006999","","","0.71073","MoKα","","0.0598","0.0485","","","0.0973","0.1028","","","","","","1.056","","","","has coordinates,has disorder,has Fobs","182819","2020-10-21","18:00:00",""
"2020507","6.613","0.002","7.018","0.003","7.078","0.003","97.374","0.01","104.521","0.009","92.038","0.01","314.6","0.2","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","2-Amino-5,6-dimethylpyrimidin-4(1<i>H</i>)-one","","- C6 H9 N3 O -","- C6 H9 N3 O -","- C12 H18 N6 O2 -","2","1","SK3624","Hall, Victoria M.; Bertke, Jeffery A.; Swift, Jennifer A.","Two tautomeric forms of 2-amino-5,6-dimethylpyrimidin-4-one","Acta Crystallographica Section C","2016","72","6","","","10.1107/S2053229616007403","","","0.71073","MoKα","","0.1033","0.0738","","","0.2119","0.2277","","","","","","1.064","","","","has coordinates,has Fobs","182820","2020-10-21","18:00:00",""
"2020508","7.188","0.0007","28.047","0.003","13.3265","0.0015","90","","101.414","0.003","90","","2633.5","0.5","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2-Amino-5,6-dimethylpyrimidin-4(1<i>H</i>)-one‒2-amino-5,6-dimethylpyrimidin-4(3<i>H</i>)-one (1/1)","","- C6 H9 N3 O -","- C6 H9 N3 O -","- C96 H144 N48 O16 -","16","4","SK3624","Hall, Victoria M.; Bertke, Jeffery A.; Swift, Jennifer A.","Two tautomeric forms of 2-amino-5,6-dimethylpyrimidin-4-one","Acta Crystallographica Section C","2016","72","6","","","10.1107/S2053229616007403","","","0.71073","MoKα","","0.1087","0.0615","","","0.1151","0.1303","","","","","","1.057","","","","has coordinates,has Fobs","182820","2020-10-21","18:00:00",""
"2020509","13.966","0.005","12.991","0.004","11.225","0.004","90","","100.931","0.016","90","","1999.6","1.2","150","2","150","2","","","","","","","","4","P 1 c 1","P -2yc","7","","","","- C22 H23 N3 O4 -","- C22 H23 N3 O4 -","- C88 H92 N12 O16 -","4","2","ZB5050","Sanphui, Palash; Rajput, Lalit; Gopi, Shanmukha Prasad; Desiraju, Gautam R.","New multi-component solid forms of anti-cancer drug Erlotinib: role of auxiliary interactions in determining a preferred conformation","Acta Crystallographica Section B","2016","72","3","291","300","10.1107/S2052520616003607","","","0.71073","MoKα","","0.1001","0.0898","","","0.2193","0.2349","","","","","","1.064","","","","has coordinates,has Fobs","183629","2020-10-21","18:00:00",""
"2020510","14.2922","0.0018","27.5","0.003","7.0784","0.0007","90","","90.467","0.007","90","","2782","0.5","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C28 H33 N3 O8 -","- C28 H33 N3 O8 -","- C112 H132 N12 O32 -","4","1","","Sanphui, Palash; Rajput, Lalit; Gopi, Shanmukha Prasad; Desiraju, Gautam R.","New multi-component solid forms of anti-cancer drug Erlotinib: role of auxiliary interactions in determining a preferred conformation","Acta Crystallographica Section B","2016","72","3","291","300","10.1107/S2052520616003607","","","0.71073","MoKα","","0.0911","0.0681","","","0.1819","0.2139","","","","","","1.213","","","","has coordinates,has Fobs","183629","2020-10-21","18:00:00",""
"2020511","7.916","0.01","14.012","0.015","14.349","0.014","61.73","0.03","79.64","0.06","86.58","0.06","1378","3","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C27 H33 N3 O9 -","- C27 H33 N3 O9 -","- C54 H66 N6 O18 -","2","1","","Sanphui, Palash; Rajput, Lalit; Gopi, Shanmukha Prasad; Desiraju, Gautam R.","New multi-component solid forms of anti-cancer drug Erlotinib: role of auxiliary interactions in determining a preferred conformation","Acta Crystallographica Section B","2016","72","3","291","300","10.1107/S2052520616003607","","","0.71073","MoKα","","0.1029","0.0671","","","0.1586","0.1967","","","","","","1.129","","","","has coordinates,has Fobs","183629","2020-10-21","18:00:00",""
"2020512","13.4269","0.0016","24.169","0.003","8.0606","0.0008","90","","92.41","0.005","90","","2613.5","0.5","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C26 H31 N3 O9 -","- C26 H31 N3 O9 -","- C104 H124 N12 O36 -","4","1","","Sanphui, Palash; Rajput, Lalit; Gopi, Shanmukha Prasad; Desiraju, Gautam R.","New multi-component solid forms of anti-cancer drug Erlotinib: role of auxiliary interactions in determining a preferred conformation","Acta Crystallographica Section B","2016","72","3","291","300","10.1107/S2052520616003607","","","0.71073","MoKα","","0.092","0.0649","","","0.1628","0.2068","","","","","","0.967","","","","has coordinates,has Fobs","183629","2020-10-21","18:00:00",""
"2020513","21.6051","0.0016","23.7024","0.0018","8.9076","0.0006","90","","90","","90","","4561.5","0.6","150","2","150","2","","","","","","","","4","P c c n","-P 2ab 2ac","56","","","","- C23 H27 N5 O5 -","- C23 H27 N5 O5 -","- C184 H216 N40 O40 -","8","1","","Sanphui, Palash; Rajput, Lalit; Gopi, Shanmukha Prasad; Desiraju, Gautam R.","New multi-component solid forms of anti-cancer drug Erlotinib: role of auxiliary interactions in determining a preferred conformation","Acta Crystallographica Section B","2016","72","3","291","300","10.1107/S2052520616003607","","","0.71073","MoKα","","0.0685","0.0514","","","0.1404","0.169","","","","","","1.1","","","","has coordinates,has Fobs","183629","2020-10-21","18:00:00",""
"2020514","8.5502","0.0017","9.2713","0.0019","15.363","0.003","88.48","0.03","83.73","0.03","76.65","0.03","1177.8","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","<i>catena</i>-Poly[[cadmium(II)-bis[μ-benzene-1,2-dicarboxylato-κ^4^<i>O</i>^1^,<i>O</i>^1'^:<i>O</i>^2^,<i>O</i>^2'^]-cadmium(II)-bis{μ-2-[(1<i>H</i>-imidazol-1-yl)methyl]-1<i>H</i>-benzimidazole}-κ^2^<i>N</i>^2^:<i>N</i>^3^;κ^2^<i>N</i>^3^:<i>N</i>^2^] dimethylformamide disolvate]","","- C22 H21 Cd N5 O5 -","- C22 H21 Cd N5 O5 -","- C44 H42 Cd2 N10 O10 -","2","1","","Huang, Qiu-Ying; Lin, Xiao-Yi; Meng, Xiang-Ru","A new one-dimensional Cd^II^ coordination polymer with a two-dimensional layered structure incorporating 2-[(1<i>H</i>-imidazol-1-yl)methyl]-1<i>H</i>-benzimidazole and benzene-1,2-dicarboxylate ligands","Acta Crystallographica Section C","2016","72","6","","","10.1107/S2053229616007658","","","0.71073","MoKα","","0.0724","0.0581","","","0.1293","0.14","","","","","","1.074","","","","has coordinates,has Fobs","182945","2020-10-21","18:00:00",""
"2020515","23.908","0.005","7.4853","0.0015","15.363","0.003","90","","91.89","0.03","90","","2747.8","1","153","2","153","2","","","","","","","","3","C 1 2 1","C 2y","5","","(20<i>R</i>,24<i>S</i>)-20-24-Epoxydammarane-3β,12β,25-triol","","- C30 H52 O4 -","- C30 H52 O4 -","- C120 H208 O16 -","4","1","LF3031","Xu, Yang-Rong; Yang, Jing-Jing; Liu, Juan; Hou, Gui-Ge; Meng, Qing-Guo","Synthesis and crystal structures of C24-epimeric 20(<i>R</i>)-ocotillol-type saponins","Acta Crystallographica Section C","2016","72","6","","","10.1107/S2053229616007270","","","0.71073","MoKα","","0.0477","0.0445","","","0.1057","0.1101","","","","","","1.104","","","","has coordinates","182994","2020-10-21","18:00:00",""
"2020516","6.8503","0.0006","29.1839","0.0018","14.8014","0.0009","90","","102.7","0.01","90","","2886.7","0.4","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","(20<i>R</i>,24<i>R</i>)-20,24-Epoxydammarane-3β,12β,25-triol monohydrate","","- C30 H54 O5 -","- C30 H54 O5 -","- C120 H216 O20 -","4","2","LF3031","Xu, Yang-Rong; Yang, Jing-Jing; Liu, Juan; Hou, Gui-Ge; Meng, Qing-Guo","Synthesis and crystal structures of C24-epimeric 20(<i>R</i>)-ocotillol-type saponins","Acta Crystallographica Section C","2016","72","6","","","10.1107/S2053229616007270","","","1.54178","CuKα","","0.1437","0.0925","","","0.2275","0.2772","","","","","","0.974","","","","has coordinates","182994","2020-10-21","18:00:00",""
"2020517","8.909","0.002","13.332","0.003","14.92","0.003","93.598","0.004","99.037","0.005","104.678","0.004","1683.2","0.6","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","Dichloridotetrakis[1-(4-chlorophenyl)-4,4-dimethyl-2-(1<i>H</i>-1,2,4-triazol-1-yl-κ<i>N</i>^4^)pent-1-en-3-ol]cobalt(II)","","- C60 H72 Cl6 Co N12 O4 -","- C60 H72 Cl6 Co N12 O4 -","- C60 H72 Cl6 Co N12 O4 -","1","0.5","OV3075","Zhang, Yao; Li, Jie; Ren, Guoyu; Qin, Baofu; Ma, Haixia","Synthesis, crystal structure and antifungal activity of a divalent cobalt(II) complex with uniconazole","Acta Crystallographica Section C","2016","72","6","","","10.1107/S2053229616007750","","","0.71073","MoKα","","0.1248","0.0579","","","0.1154","0.1455","","","","","","0.953","","","","has coordinates,has Fobs","182995","2020-10-21","18:00:00",""
"2020518","11.2504","0.0011","11.7298","0.0011","12.6588","0.0013","71.518","0.004","71.087","0.003","65.76","0.003","1407.9","0.2","200","2","200","2","","","","","","","","6","P -1","-P 1","2","","Dichlorido(dimethylformamide-κ<i>O</i>){5,6-dimethyl-2-(pyridin-2-yl-κ<i>N</i>)-1-[(pyridin-2-yl)methyl]-1<i>H</i>-benzimidazole-κ<i>N</i>^3^}zinc(II) dimethylformamide monosolvate","","- C26 H32 Cl2 N6 O2 Zn -","- C26 H32 Cl2 N6 O2 Zn -","- C52 H64 Cl4 N12 O4 Zn2 -","2","1","UK3125","DeStefano, Matthew R.; Geiger, David K.","Structural and spectroscopic characterization of two new blue luminescent pyridylbenzimidazole zinc(II) complexes","Acta Crystallographica Section C","2016","72","6","","","10.1107/S2053229616007798","","","0.71073","MoKa","","0.0522","0.0398","","","0.0992","0.1066","","","","","","1.045","","","","has coordinates,has Fobs","182996","2020-10-21","18:00:00",""
"2020519","16.0866","0.0017","8.715","0.0008","18.745","0.002","90","","94.193","0.004","90","","2620.9","0.5","200","2","200","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Bis(acetato-κ^2^<i>O</i>,<i>O</i>'){5,6-dimethyl-2-(pyridin-2-yl-κ<i>N</i>)-1-[(pyridin-2-yl)methyl]-1<i>H</i>-benzimidazole-κ<i>N</i>^3^}zinc(II) ethanol monosolvate","","- C26 H30 N4 O5 Zn -","- C26 H30 N4 O5 Zn -","- C104 H120 N16 O20 Zn4 -","4","1","UK3125","DeStefano, Matthew R.; Geiger, David K.","Structural and spectroscopic characterization of two new blue luminescent pyridylbenzimidazole zinc(II) complexes","Acta Crystallographica Section C","2016","72","6","","","10.1107/S2053229616007798","","","0.71073","MoKa","","0.0542","0.036","","","0.0823","0.0904","","","","","","1.022","","","","has coordinates,has disorder,has Fobs","182996","2020-10-21","18:00:00",""
"2020521","13.9227","0.0001","12.35","0.0001","19.7966","0.0001","90","","105.987","0.001","90","","3272.28","0.04","123","2","123","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","Carbonyl(cyanotrihydridoborato-κ<i>N</i>)bis(triphenylphosphine-κ<i>P</i>)rhodium(I)","","- C38 H33 B N O P2 Rh -","- C38 H33 B N O P2 Rh -","- C152 H132 B4 N4 O4 P8 Rh4 -","4","1","LY3032","Galding, M. R.; Virovets, A. V.; Kazakov, I. V.; Scheer, M.; Smirnov, S. N.; Timoshkin, A. Y.","Diminished electron density in the Vaska-type rhodium(I) complex <i>trans</i>-[Rh(NCBH~3~)(CO)(PPh~3~)~2~]","Acta Crystallographica Section C","2016","72","7","514","517","10.1107/S2053229616008536","","","1.54178","CuKα","","0.0222","0.0207","","","0.0553","0.0559","","","","","","1.078","","","","has coordinates,has disorder,has Fobs","185010","2020-10-21","18:00:00",""
"2020522","6.2155","0.0002","8.7681","0.0003","8.9686","0.0003","90","","106.14","0.003","90","","469.51","0.03","121","1","121","","","","","","","","","4","P 1 21 1","P 2yb","4","","2-Isopropyl-2,3-dihydro-1<i>H</i>-isoindol-1-one","","- C11 H13 N O -","- C11 H13 N O -","- C22 H26 N2 O2 -","2","1","LG3188","Donkeng Dazie, Joel; Liška, Alan; Ludvík, Jiří; Fábry, Jan; Dušek, Michal","A study of the planarity of the pyrrolone fragment in 2-isopropyl-2,3-dihydro-1<i>H</i>-isoindol-1-one","Acta Crystallographica Section C","2016","72","7","518","524","10.1107/S2053229616008767","","","1.54184","CuKα","","0.0256","0.0252","","","0.0675","0.0678","","","","","","2.16","","","","has coordinates,has Fobs","185017","2020-10-21","18:00:00",""
"2020523","12.8263","0.0009","7.1879","0.0003","12.2478","0.0009","90","","98.936","0.006","90","","1115.47","0.12","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Di-μ-thiocyanato-bis[diamminesilver(I)]","","- C2 H12 Ag2 N6 S2 -","- C2 H12 Ag2 N6 S2 -","- C8 H48 Ag8 N24 S8 -","4","0.5","WM5294","Müller, Thomas G.; Kraus, Florian","Crystal structure of Ag~2~(μ-SCN)~2~(NH~3~)~4~","Acta Crystallographica Section E","2016","72","7","881","883","10.1107/S2056989016008823","","","0.71073","MoKα","","0.0315","0.0289","","","0.0598","0.061","","","","","","1.107","","","","has coordinates,has Fobs","185024","2020-10-21","18:00:00",""
"2020525","18.5958","0.0011","16.6608","0.001","14.2394","0.0009","90","","93.692","0.002","90","","4402.5","0.5","150","2","150","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","<i>catena</i>-Poly[[copper(II)-di-μ-chlorido-copper(II)-{μ-1-ethyl-<i>N</i>'-[(1<i>H</i>-imidazol-3-yl)methylidene]-7-methyl-4-oxo-1,4-dihydro-1,8-naphthyridine-3-carbohydrazidato}-[dimethanolcopper(II)]-{μ-1-ethyl-<i>N</i>'-[(1<i>H</i>-imidazol-3-yl)methylidene]-7-methyl-4-oxo-1,4-dihydro-1,8-naphthyridine-3-carbohydrazidato}] dichloride methanol tetrasolvate]","","- C18 H23 Cl2 Cu1.5 N6 O4 -","- C36 H46 Cl4 Cu3 N12 O8 -","- C144 H184 Cl16 Cu12 N48 O32 -","4","0.5","FA3386","Bergamini, F. R. G.; Ribeiro, M. A.; Miranda, P. C. M. L.; Formiga, A. L. B.; Corbi, P. P.","A novel binuclear copper complex incorporating a nalidixic acid derivative displaying a one-dimensional coordination polymeric structure","Acta Crystallographica Section C","2016","72","7","544","548","10.1107/S2053229616008913","","","0.71073","MoKα","","0.0343","0.0274","","","0.0703","0.0739","","","","","","1.039","","","","has coordinates,has disorder,has Fobs","185009","2020-10-21","18:00:00",""
"2020526","21.612","0.004","10.421","0.002","19.246","0.004","90","","116.85","0.03","90","","3867.3","1.7","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Poly[[bis(μ~2~-benzene-1,4-dicarboxylato)-κ^4^<i>O</i>^1^,<i>O</i>^1'^:<i>O</i>^4^,<i>O</i>^4'^;κ^2^<i>O</i>^1^:<i>O</i>^4^-bis{μ~2~-2-[(1<i>H</i>-1,2,4-triazol-1-yl)methyl-κ<i>N</i>^4^]-1<i>H</i>-benzimidazole-κ<i>N</i>^3^}dizinc(II)] triihydrate]","","- C18 H16 N5 O5.5 Zn -","- C18 H16 N5 O5.5 Zn -","- C144 H128 N40 O44 Zn8 -","8","1","","Jian, Shou-Jun; Han, Qian-Qian; Yang, Huai-Xia; Meng, Xiang-Ru","A new three-dimensional zinc(II) coordination polymer involving 2-[(1<i>H</i>-1,2,4-triazol-1-yl)methyl]-1<i>H</i>-benzimidazole and benzene-1,4-dicarboxylate ligands","Acta Crystallographica Section C","2016","72","7","530","535","10.1107/S2053229616008779","","","0.71073","MoKα","","0.0465","0.0412","","","0.099","0.1026","","","","","","1.096","","","","has coordinates,has disorder,has Fobs","185012","2020-10-21","18:00:00",""
"2020527","8.3754","0.0007","12.6354","0.001","13.6686","0.0011","112.213","0.003","101.395","0.003","95.781","0.003","1287.99","0.19","300","2","300","2","","","","","","","","5","P -1","-P 1","2","","Bis[μ~2~-<i>N</i>'-(2-oxidobenzylidene)benzohydrazidato-κ^4^<i>O</i>:<i>O</i>,<i>N</i>',<i>O</i>']dilead(II)","","- C28 H20 N4 O4 Pb2 -","- C28 H20 N4 O4 Pb2 -","- C56 H40 N8 O8 Pb4 -","2","1","LG3189","Schwade, Vânia Denise; Faoro, Eliandro; Schulz Lang, Ernesto","Intermolecular Pb···N interactions in lead(II) dimers producing a supramolecular two-dimensional metal‒organic compound: bis[μ~2~-<i>N</i>'-(2-oxidobenzylidene)benzohydrazidato-κ^4^<i>O</i>:<i>O</i>,<i>N</i>',<i>O</i>']dilead(II)","Acta Crystallographica Section C","2016","72","7","525","529","10.1107/S2053229616008755","","","0.71073","MoKα","","0.0251","0.0177","","","0.0354","0.037","","","","","","1.068","","","","has coordinates,has Fobs","185014","2020-10-21","18:00:00",""
"2020528","9.489","0.0015","9.8774","0.0015","15.079","0.002","71.429","0.004","75.65","0.004","89.369","0.004","1294.4","0.3","103","2","103","2","","","","","","","","5","P 1","P 1","1","<i>L</i>-2-Aminobutyric acid‒<i>D</i>-methionine (1/1) <i>L</i>-Abu:<i>D</i>-Met","(<i>S</i>)-2-Aminobutanoic acid‒(<i>R</i>)-2-amino-4-(methylsulfanyl)butanoic acid (1/1)","","- C9 H20 N2 O4 S4 -","- C9 H20 N2 O4 S -","- C36 H80 N8 O16 S4 -","4","4","SK3626","Görbitz, Carl Henrik; Wragg, David S.; Bakke, Ingrid Marie Bergh; Fleischer, Christian; Grønnevik, Gaute; Mykland, Maria; Park, Yoomin; Trovik, Kristian Wiedicke; Serigstad, Halvard; Sundsli, Bård Edgar Vestheim","A phase transition from monoclinic <i>C</i>2 with <i>Z</i>' = 1 to triclinic <i>P</i>1 with <i>Z</i>' = 4 for the quasiracemate <small>L</small>-2-aminobutyric acid‒<small>D</small>-methionine (1/1)","Acta Crystallographica Section C","2016","72","7","536","543","10.1107/S2053229616008858","","","0.71073","MoKα","","0.0954","0.0716","","","0.1661","0.1861","","","","","","1.063","","","","has coordinates,has disorder,has Fobs","185020","2020-10-21","18:00:00",""
"2020529","29.1721","0.0018","4.7784","0.0003","9.8551","0.0006","90","","103.145","0.002","90","","1337.77","0.14","293","2","293","2","","","","","","","","5","C 1 2 1","C 2y","5","<i>L</i>-2-Aminobutyric acid:<i>D</i>-methionine <i>L</i>-Abu:<i>D</i>-Met","(<i>S</i>)-2-aminobutanoic acid‒(<i>R</i>)-2-amino-4-(methylsulfanyl)butanoic acid (1/1)","","- C9 H20 N2 O4 S -","- C8.992 H19.984 N2 O4 S0.998 -","- C35.968 H79.936 N8 O16 S3.992 -","4","1","SK3626","Görbitz, Carl Henrik; Wragg, David S.; Bakke, Ingrid Marie Bergh; Fleischer, Christian; Grønnevik, Gaute; Mykland, Maria; Park, Yoomin; Trovik, Kristian Wiedicke; Serigstad, Halvard; Sundsli, Bård Edgar Vestheim","A phase transition from monoclinic <i>C</i>2 with <i>Z</i>' = 1 to triclinic <i>P</i>1 with <i>Z</i>' = 4 for the quasiracemate <small>L</small>-2-aminobutyric acid‒<small>D</small>-methionine (1/1)","Acta Crystallographica Section C","2016","72","7","536","543","10.1107/S2053229616008858","","","0.71073","MoKα","","0.0796","0.0431","","","0.1055","0.1229","","","","","","1.042","","","","has coordinates,has disorder,has Fobs","185020","2020-10-21","18:00:00",""
"2020530","5.4764","0.0003","15.9117","0.0008","18.3228","0.001","90","","90","","90","","1596.63","0.15","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","<i>N</i>-Benzyl-4-hydroxy-1-methyl-2,2-dioxo-1<i>H</i>-2λ6,1-benzothiazine-3-carboxamide","","- C17 H16 N2 O4 S -","- C17 H16 N2 O4 S -","- C68 H64 N8 O16 S4 -","4","1","FN3216","Ukrainets, Igor V.; Shishkina, Svitlana V.; Baumer, Vyacheslav N.; Gorokhova, Olga V.; Petrushova, Lidiya A.; Sim, Galina","Two pseudo-enantiomeric forms of <i>N</i>-benzyl-4-hydroxy-1-methyl-2,2-dioxo-1<i>H</i>-2λ^6^,1-benzothiazine-3-carboxamide and their analgesic properties","Acta Crystallographica Section C","2016","72","5","411","415","10.1107/S2053229616005453","","","0.71073","MoKα","","0.0981","0.0507","","","0.0828","0.0938","","","","","","0.993","","","","has coordinates,has Fobs","183614","2020-10-21","18:00:00",""
"2020531","5.4469","0.0003","15.8455","0.001","18.2412","0.0009","90","","90","","90","","1574.38","0.15","293","","293.15","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","<i>N</i>-Benzyl-4-hydroxy-1-methyl-2,2-dioxo-1<i>H</i>-2λ6,1-benzothiazine-3-carboxamide","","- C17 H16 N2 O4 S -","- C17 H16 N2 O4 S -","- C68 H64 N8 O16 S4 -","4","1","FN3216","Ukrainets, Igor V.; Shishkina, Svitlana V.; Baumer, Vyacheslav N.; Gorokhova, Olga V.; Petrushova, Lidiya A.; Sim, Galina","Two pseudo-enantiomeric forms of <i>N</i>-benzyl-4-hydroxy-1-methyl-2,2-dioxo-1<i>H</i>-2λ^6^,1-benzothiazine-3-carboxamide and their analgesic properties","Acta Crystallographica Section C","2016","72","5","411","415","10.1107/S2053229616005453","","","0.71073","MoKα","","0.0545","0.0404","","","0.0489","0.1235","","","","","","0.8353","","","","has coordinates,has Fobs","183614","2020-10-21","18:00:00",""
"2020532","7.2407","0.0002","7.9326","0.0002","15.055","0.0005","92.932","0.002","102.406","0.002","102.727","0.002","819.37","0.04","293","2","293","2","","","","","","","","7","P -1","-P 1","2","(2-amino-4,6-dimethoxypyrimidine-N)-aqua-chlorido -(thiophene-2-carboxylato-O)cobalt(II) hidrate","(2-Amino-4,6-dimethoxypyrimidine-κ<i>N</i>)aquachlorido(thiophene-2-carboxylato-κ<i>O</i>)cobalt(II) monohydrate","","- C11 H16 Cl Co N3 O6 S -","- C11 H16 Cl Co N3 O6 S -","- C22 H32 Cl2 Co2 N6 O12 S2 -","2","1","KU3177","Karthikeyan, Ammasai; Thomas Muthiah, Packianathan; Perdih, Franc","Supramolecular architectures in Co^II^ and Cu^II^ complexes with thiophene-2-carboxylate and 2-amino-4,6-dimethoxypyrimidine ligands","Acta Crystallographica Section C","2016","72","5","442","450","10.1107/S2053229616006148","","","0.71073","MoKα","","0.0382","0.0297","","","0.074","0.0785","","","","","","1.038","","","","has coordinates,has disorder,has Fobs","183615","2020-10-21","18:00:00",""
"2020533","18.5881","0.0004","10.1091","0.0003","17.5284","0.0004","90","","111.847","0.002","90","","3057.19","0.14","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","catena-(μ^2^-2-amino-4,6-dimethoxypyrimidine-N,N') -tetra(μ^2^-thiophene-2-carboxylato-O,O')dicopper(II)","<i>catena</i>-Poly[copper(II)-tetrakis(μ-thiophene-2-carboxylato-κ^2^<i>O</i>:<i>O</i>')-copper(II)-(μ-2-amino-4,6-dimethoxypyrimidine-κ^2^<i>N</i>^1^:<i>N</i>^3^)]","","- C26 H21 Cu2 N3 O10 S4 -","- C26 H21 Cu2 N3 O10 S4 -","- C104 H84 Cu8 N12 O40 S16 -","4","0.5","KU3177","Karthikeyan, Ammasai; Thomas Muthiah, Packianathan; Perdih, Franc","Supramolecular architectures in Co^II^ and Cu^II^ complexes with thiophene-2-carboxylate and 2-amino-4,6-dimethoxypyrimidine ligands","Acta Crystallographica Section C","2016","72","5","442","450","10.1107/S2053229616006148","","","0.71073","MoKα","","0.0473","0.0327","","","0.0776","0.0839","","","","","","1.063","","","","has coordinates,has disorder,has Fobs","183615","2020-10-21","18:00:00",""
"2020534","3.9356","0.0004","7.2005","0.0006","25.41","0.002","90","","90.578","0.009","90","","720.04","0.11","291","2","291","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","o-nitrobenzoic acid","2-Nitrobenzoic acid","","- C7 H5 N O4 -","- C7 H5 N O4 -","- C28 H20 N4 O16 -","4","1","SK3630","Ibragimov, Aziz; Ashurov, Jamshid; Ibragimov, Bakhtiyar; Wang, Ai; Mouhib, Halima; Englert, Ulli","Conformational dimorphism in <i>o</i>-nitrobenzoic acid: alternative ways to avoid the O···O clash","Acta Crystallographica Section C","2016","72","7","566","571","10.1107/S2053229616009591","","","1.54184","CuKα","","0.0726","0.0495","","","0.1231","0.1438","","","","","","1.063","","","","has coordinates,has Fobs","185008","2020-10-21","18:00:00",""
"2020535","4.4603","0.0003","4.4603","0.0003","18.3197","0.0011","90","","90","","120","","315.63","0.04","293","2","293","2","","","","","","","","3","R 3 m :H","R 3 -2""","160","","Tetralithium digermanium boride","","- B Ge2 Li4 -","- B Ge2 Li4 -","- B3 Ge6 Li12 -","3","0.166667","","Pavlyuk, Volodymyr; Ciesielski, Wojciech; Rozdzynska-Kielbik, Beata; Dmytriv, Grygoriy; Ehrenberg, Helmut","Li~4~Ge~2~B as a new derivative of the Mo~2~B~5~ and Li~5~Sn~2~ structure types","Acta Crystallographica Section C","2016","72","7","561","565","10.1107/S2053229616009384","","","0.71073","MoKα","","0.0253","0.0223","","","0.0449","0.0469","","","","","","1.039","","","","has coordinates,has Fobs","185016","2020-10-21","18:00:00",""
"2020536","5.6051","0.0002","8.6411","0.0003","14.3853","0.0006","86.192","0.002","81.237","0.003","87.313","0.002","686.61","0.04","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","(6<i>RS</i>,11<i>RS</i>)-11-Ethyl-6,11-dihydro-5<i>H</i>-dibenzo[<i>b</i>,<i>e</i>]azepine-6-carboxamide","","- C17 H18 N2 O -","- C17 H18 N2 O -","- C34 H36 N4 O2 -","2","1","SK3628","Acosta Quintero, Lina M.; Palma, Alirio; Cobo, Justo; Glidewell, Christopher","Diastereoisomeric forms of 11-ethyl-6,11-dihydro-5<i>H</i>-dibenzo[<i>b</i>,<i>e</i>]azepine-6-carboxamide: syntheses and the molecular and supramolecular structure of the minor form (6<i>RS</i>,11<i>RS</i>)-11-ethyl-6,11-dihydro-5<i>H</i>-dibenzo[<i>b</i>,<i>e</i>]azepine-6-carboxamide","Acta Crystallographica Section C","2016","72","7","549","554","10.1107/S2053229616008950","","","0.71073","MoKα","","0.0895","0.0654","","","0.1595","0.1774","","","","","","1.049","","","","has coordinates,has Fobs","185018","2020-10-21","18:00:00",""
"2020537","14.1746","0.0007","7.0724","0.0004","8.894","0.0013","90","","90","","90","","891.61","0.15","293","2","293","2","","","","","","","","6","I m m a","-I 2b 2","74","","Poly[[diaquatetra-μ~2~-cyanido-κ^8^<i>C</i>:<i>N</i>-copper(II)nickel(II)] monohydrate]","","- C4 H6 Cu N4 Ni O3 -","- C4 H6 Cu N4 Ni O3 -","- C16 H24 Cu4 N16 Ni4 O12 -","4","0.25","OV3074","Qin, Ying Lian; Yang, Bin Wu; Wang, Gao Feng; Sun, Hong","A cyanide-bridged heterometallic coordination polymer constructed from square-planar [Ni(CN)4](2-): synthesis, crystal structure, thermal decomposition, electron paramagnetic resonance (EPR) spectrum and magnetic properties.","Acta Crystallographica, Section C: Structural Chemistry","2016","72","7","555","560","10.1107/S2053229616009372","","","0.71073","MoKα","","0.0413","0.034","","","0.0962","0.1021","","","","","","1.022","","","","has coordinates,has Fobs","201402","2020-10-21","18:00:00",""
"2020538","15.3542","0.0004","7.9565","0.0002","24.8986","0.0006","90","","98.477","0.002","90","","3008.52","0.13","294","2","294","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Bis(μ~3~-1,1-dioxo-1,2-benzisothiazole-3-thiolato-κ^3^<i>N</i>:<i>S</i>^3^:<i>S</i>^3^)bis(μ~2~-1,1-dioxo-1,2-benzisothiazole-3-thiolato-κ^2^<i>S</i>^3^:<i>S</i>^3^)tetrasilver(I)]","","- C29 H20 Ag2 N5 O4 S4 -","- C29 H20 Ag2 N5 O4 S4 -","- C116 H80 Ag8 N20 O16 S16 -","4","1","","Dennehy, Mariana; Delgado, Fermín; Freire, Eleonora; Halac, Emilia; Baggio, Ricardo","A polymeric silver thiosaccarinate complex with a two-dimensional triply entangled mesh and argentophilic interactions","Acta Crystallographica Section C","2016","72","7","572","577","10.1107/S2053229616009645","","","0.71073","MoKα","","0.078","0.0655","","","0.1648","0.1713","","","","","","1.171","","","","has coordinates,has Fobs","185022","2020-10-21","18:00:00",""
"2020539","12.0922","0.0006","13.9102","0.0007","23.1235","0.0012","90","","95.51","0.001","90","","3871.5","0.3","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","hexakis(diphenylacetato)-bis(1,2-dimethoxyethane)-di-europium","Tetrakis(μ-2,2-diphenylacetato)-κ^4^<i>O</i>:<i>O</i>';κ^3^<i>O</i>,<i>O</i>':<i>O</i>';κ^3^<i>O</i>:<i>O</i>,<i>O</i>'-bis[(1,2-dimethoxyethane-κ^2^<i>O</i>,<i>O</i>')(2,2-diphenylacetato-κ^2^<i>O</i>,<i>O</i>')europium(III)]","","- C92 H86 Eu2 O16 -","- C92 H86 Eu2 O16 -","- C184 H172 Eu4 O32 -","2","0.5","SK3627","Minyaev, Mikhail E.; Vinogradov, Alexandr A.; Roitershtein, Dmitrii M.; Lyssenko, Konstantin A.; Ananyev, Ivan V.; Nifant'ev, Ilya E.","Di- and triphenylacetate complexes of yttrium and europium","Acta Crystallographica Section C","2016","72","7","578","584","10.1107/S2053229616009748","","","0.71073","MoKα","","0.0543","0.0384","","","0.0846","0.0905","","","","","","1.023","","","","has coordinates,has disorder,has Fobs","185023","2020-10-21","18:00:00",""
"2020540","11.4292","0.0017","21.371","0.003","16.335","0.003","90","","102.37","0.005","90","","3897.3","1.1","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","hexakis(diphenylacetato)-bis(1,2-dimethoxyethane)-di-yttrium","Tetrakis(μ-2,2-diphenylacetato)-κ^4^<i>O</i>:<i>O</i>';κ^3^<i>O</i>,<i>O</i>':<i>O</i>';κ^3^<i>O</i>:<i>O</i>,<i>O</i>'-bis[(1,2-dimethoxyethane-κ^2^<i>O</i>,<i>O</i>')(2,2-diphenylacetato-κ^2^<i>O</i>,<i>O</i>')yttrium(III)]","","- C92 H86 O16 Y2 -","- C92 H86 O16 Y2 -","- C184 H172 O32 Y4 -","2","0.5","SK3627","Minyaev, Mikhail E.; Vinogradov, Alexandr A.; Roitershtein, Dmitrii M.; Lyssenko, Konstantin A.; Ananyev, Ivan V.; Nifant'ev, Ilya E.","Di- and triphenylacetate complexes of yttrium and europium","Acta Crystallographica Section C","2016","72","7","578","584","10.1107/S2053229616009748","","","0.71073","MoKα","","0.0714","0.0414","","","0.0853","0.0944","","","","","","1.013","","","","has coordinates,has Fobs","185023","2020-10-21","18:00:00",""
"2020541","13.3716","0.0006","13.5971","0.0006","17.7021","0.0007","93.0794","0.0008","92.9949","0.0008","118.475","0.0007","2813.9","0.2","120","2","120","2","","","","","","","","4","P -1","-P 1","2","tris(triphenylacetato)-tetrakis(methanol)-europium methanol disolvate","Tetrakis(methanol-κ<i>O</i>)tris(2,2,2-triphenylacetato)-κ^4^<i>O</i>:<i>O</i>';κ<i>O</i>-europium(III) methanol disolvate","","- C66 H69 Eu O12 -","- C66 H69 Eu O12 -","- C132 H138 Eu2 O24 -","2","1","SK3627","Minyaev, Mikhail E.; Vinogradov, Alexandr A.; Roitershtein, Dmitrii M.; Lyssenko, Konstantin A.; Ananyev, Ivan V.; Nifant'ev, Ilya E.","Di- and triphenylacetate complexes of yttrium and europium","Acta Crystallographica Section C","2016","72","7","578","584","10.1107/S2053229616009748","","","0.71073","MoKα","","0.0456","0.0352","","","0.0706","0.0752","","","","","","1.032","","","","has coordinates,has Fobs","185023","2020-10-21","18:00:00",""
"2020542","9.0043","0.0002","10.2212","0.0002","22.7814","0.0005","90","","92.085","0.001","90","","2095.29","0.08","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Bis(μ-4-bromo-2-{[(3-oxidopropyl)imino]methyl}phenolato)dicopper(II)","","- C20 H20 Br2 Cu2 N2 O4 -","- C20 H20 Br2 Cu2 N2 O4 -","- C80 H80 Br8 Cu8 N8 O16 -","4","1","UK3124","Yahsi, Yasemin","X-ray characterization and magnetic properties of dioxygen-bridged Cu^II^ and Mn^III^ Schiff base complexes","Acta Crystallographica Section C","2016","72","7","585","592","10.1107/S2053229616008974","","","0.71073","MoKα","","0.0221","0.0191","","","0.05","0.0515","","","","","","1.028","","","","has coordinates","185019","2020-10-21","18:00:00",""
"2020543","14.126","0.003","19.394","0.004","17.02","0.003","90","","91.66","0.03","90","","4660.8","1.6","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Bis(diaqua{4,4'-dichloro-2,2'-[(1,1-dimethylethane-1,2-diyl)bis(nitrilomethanylylidene)]diphenolato}manganese(III)) bis{μ-4,4'-dichloro-2,2'-[(1,1-dimethylethane-1,2-diyl)bis(nitrilomethanylylidene)]diphenolato}bis[aquamanganese(III)] tetrakis(perchlorate) ethanol disolvate","","- C76 H88 Cl12 Mn4 N8 O32 -","- C76 H88 Cl12 Mn4 N8 O32 -","- C152 H176 Cl24 Mn8 N16 O64 -","2","0.5","","Yahsi, Yasemin","X-ray characterization and magnetic properties of dioxygen-bridged Cu^II^ and Mn^III^ Schiff base complexes","Acta Crystallographica Section C","2016","72","7","585","592","10.1107/S2053229616008974","","","0.71073","MoKα","","0.182","0.0813","","","0.1547","0.1877","","","","","","1.024","","","","has coordinates,has disorder,has Fobs","185019","2020-10-21","18:00:00",""
"2020544","3.8856","0.0003","19.292","0.0011","10.9859","0.0006","90","","92.221","0.006","90","","822.9","0.09","299","2","299","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","2,6-Difluorocinnamic acid","3-(2,6-Difluorophenyl)prop-2-enoic acid","","- C9 H6 F2 O2 -","- C9 H6 F2 O2 -","- C36 H24 F8 O8 -","4","1","YF3104","Galica, Tomasz; Bakowicz, Julia; Broda, Piotr; Turowska-Tyrk, Ilona","Monitoring photo-induced transformations in crystals of 2,6-difluorocinnamic acid under ambient conditions","Acta Crystallographica Section C","2016","72","7","593","599","10.1107/S2053229616010019","","","0.71073","MoKα","","0.0825","0.0408","","","0.0834","0.0965","","","","","","1.012","","","","has coordinates,has Fobs","184084","2020-10-21","18:00:00",""
"2020545","3.886","0.0006","19.185","0.004","11.1567","0.0014","90","","92.873","0.014","90","","830.7","0.2","299","2","299","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2,6-Difluorocinnamic acid‒3,4-bis(2,6-difluorophenyl)cyclobutane-1,2-dicarboxylic acid (0.858/0.071)","","- C9 H6 F2 O2 -","- C9 H6 F2 O2 -","- C36 H24 F8 O8 -","4","1","YF3104","Galica, Tomasz; Bakowicz, Julia; Broda, Piotr; Turowska-Tyrk, Ilona","Monitoring photo-induced transformations in crystals of 2,6-difluorocinnamic acid under ambient conditions","Acta Crystallographica Section C","2016","72","7","593","599","10.1107/S2053229616010019","","","0.71073","MoKα","","0.1304","0.0742","","","0.1879","0.2326","","","","","","1.038","","","","has coordinates,has disorder,has Fobs","184084","2020-10-21","18:00:00",""
"2020546","7.6212","0.0005","10.3137","0.001","13.1849","0.001","112.145","0.008","96.843","0.006","97.96","0.007","933.94","0.15","299","2","299","2","","","","","","","","4","P -1","-P 1","2","","3,4-Bis(2,6-difluorophenyl)cyclobutane-1,2-dicarboxylic acid toluene hemisolvate","","- C21.5 H16 F4 O4 -","- C21.5 H16 F4 O4 -","- C43 H32 F8 O8 -","2","1","YF3104","Galica, Tomasz; Bakowicz, Julia; Broda, Piotr; Turowska-Tyrk, Ilona","Monitoring photo-induced transformations in crystals of 2,6-difluorocinnamic acid under ambient conditions","Acta Crystallographica Section C","2016","72","7","593","599","10.1107/S2053229616010019","","","0.71073","MoKα","","0.0672","0.0479","","","0.1155","0.1274","","","","","","1.027","","","","has coordinates,has disorder,has Fobs","184084","2020-10-21","18:00:00",""
"2020547","19.196","0.003","10.2943","0.0015","22.347","0.003","90","","97.998","0.007","90","","4373","1.1","150","2","150","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","Cu‒Ni‒Cu complex","Bis(dicyanamido-1κ<i>N</i>^1^)bis(dimethyl sulfoxide)-2κ<i>O</i>,3κ<i>O</i>-bis{μ-2,2'-[propane-1,3-diylbis(nitrilomethanylylidene)]diphenolato}-1:2κ^6^<i>O</i>,<i>O</i>':<i>O</i>,<i>N</i>,<i>N</i>',<i>O</i>';1:3κ^6^<i>O</i>,<i>O</i>':<i>O</i>,<i>N</i>,<i>N</i>',<i>O</i>'-dicopper(II)nickel(II)","","- C42 H44 Cu2 N10 Ni O6 S2 -","- C42 H44 Cu2 N10 Ni O6 S2 -","- C168 H176 Cu8 N40 Ni4 O24 S8 -","4","1","LF3035","Hopa, Cigdem; Cokay, Ismail","Designing a heterotrinuclear CuII—NiII—CuIIcomplex from a mononuclear CuIISchiff base precursor with dicyanamide as a coligand: synthesis, crystal structure, thermal and photoluminescence properties","Acta Crystallographica Section C Structural Chemistry","2016","72","8","","","10.1107/S205322961600944X","","","0.71073","MoKα","","0.0434","0.0307","","","0.0693","0.0742","","","","","","1.028","","","","has coordinates,has disorder,has Fobs","184241","2020-10-21","18:00:00",""
"2020548","12.7038","0.0001","16.5265","0.0002","16.683","0.0002","90","","109.774","0.001","90","","3296.05","0.07","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","Diaquahexakis(μ-4-chloropyrazolato-κ^2^<i>N</i>:<i>N</i>')bis(<i>N</i>,<i>N</i>-dimethylformamide)di-μ~3~-hydroxido-bis(μ~4~-sulfato-κ^4^<i>O</i>:<i>O</i>':<i>O</i>'':<i>O</i>'')hexacopper(II) <i>N</i>,<i>N</i>-dimethylformamide tetrasolvate dihydrate","","- C36 H64 Cl6 Cu6 N18 O20 S2 -","- C36 H64 Cl6 Cu6 N18 O20 S2 -","- C72 H128 Cl12 Cu12 N36 O40 S4 -","2","0.5","GK2663","Mezei, Gellert","Sulfate-bridged dimeric trinuclear copper(II)‒pyrazolate complex with three different terminal ligands","Acta Crystallographica Section E Crystallographic Communications","2016","72","8","1064","","10.1107/S2056989016010719","","","0.71073","MoKα","","0.0595","0.0351","","","0.0672","0.0751","","","","","","1.014","","","","has coordinates,has Fobs","184289","2020-10-21","18:00:00",""
"2020549","7.432","0.0015","9.962","0.002","11.373","0.002","85.63","0.03","85.34","0.03","81.32","0.03","827.9","0.3","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","1-(2-hydroxyphenyl)-2-(2-hydroxyethyl)-6,7-dimethoxy-1,2,3,4- tetrahydroisoquinoline","","- C19 H23 N O4 -","- C19 H23 N O4 -","- C38 H46 N2 O8 -","2","1","","Turgunov, Kambarali K.; Zhurakulov, Sherzod N.; Englert, Ulli; Vinogradova, Valentina I.; Tashkhodjaev, Bakhodir","Synthesis of 2-(2-hydroxyethyl)-1-(2-hydroxyphenyl)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline and pseudosymmetry in its crystal structure","Acta Crystallographica Section C","2016","72","8","","","10.1107/S2053229616010792","","","0.71073","MoKα","","0.0865","0.0573","","","0.1385","0.1568","","","","","","1.029","","","","has coordinates,has disorder","184372","2020-10-21","18:00:00",""
"2020550","7.429","0.002","14.535","0.004","15.675","0.004","97.575","0.005","98.902","0.005","92.28","0.005","1654.5","0.8","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","2-(2-Hydroxyethyl)-1-(2-hydroxyphenyl)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline","","- C19 H23 N O4 -","- C19 H23 N O4 -","- C76 H92 N4 O16 -","4","2","QS3055","Turgunov, Kambarali K.; Zhurakulov, Sherzod N.; Englert, Ulli; Vinogradova, Valentina I.; Tashkhodjaev, Bakhodir","Synthesis of 2-(2-hydroxyethyl)-1-(2-hydroxyphenyl)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline and pseudosymmetry in its crystal structure","Acta Crystallographica Section C","2016","72","8","","","10.1107/S2053229616010792","","","0.71073","MoKα","","0.1264","0.0692","","","0.1709","0.207","","","","","","0.995","","","","has coordinates,has Fobs","184373","2020-10-21","18:00:00",""
"2020551","11.8062","0.0007","8.0061","0.0004","17.6442","0.0012","90","","107.009","0.007","90","","1594.81","0.17","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","3-(4-Fluorophenyl)-1<i>H</i>-pyrazolium 2,4,6-trinitrophenolate","","- C15 H10 F N5 O7 -","- C15 H10 F N5 O7 -","- C60 H40 F4 N20 O28 -","4","1","SK3631","Girisha, Marisiddaiah; Yathirajan, Hemmige S.; Jasinski, Jerry P.; Glidewell, Christopher","Different acid‒base behaviour of a pyrazole and an isoxazole with organic acids: crystal and molecular structures of the salt 3-(4-fluorophenyl)-1<i>H</i>-pyrazolium 2,4,6-trinitrophenolate and of the cocrystal 4-amino-<i>N</i>-(3,4-dimethyl-1,2-oxazol-5-yl)benzenesulfonamide‒3,5-dinitrobenzoic acid (1/1)","Acta Crystallographica Section C","2016","72","8","","","10.1107/S2053229616010494","","","0.71073","MoKα","","0.0666","0.0482","","","0.1189","0.1326","","","","","","1.035","","","","has coordinates,has disorder,has Fobs","184413","2020-10-21","18:00:00",""
"2020552","7.8189","0.0004","8.6727","0.0005","15.9304","0.001","96.439","0.005","94.458","0.005","107.477","0.005","1016.79","0.11","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","4-Amino-<i>N</i>-(3,4-dimethyl-1,2-oxazol-5-yl)benzenesulfonamide‒3,5-dinitrobenzoic acid (1/1)","","- C18 H17 N5 O9 S -","- C18 H17 N5 O9 S -","- C36 H34 N10 O18 S2 -","2","1","SK3631","Girisha, Marisiddaiah; Yathirajan, Hemmige S.; Jasinski, Jerry P.; Glidewell, Christopher","Different acid‒base behaviour of a pyrazole and an isoxazole with organic acids: crystal and molecular structures of the salt 3-(4-fluorophenyl)-1<i>H</i>-pyrazolium 2,4,6-trinitrophenolate and of the cocrystal 4-amino-<i>N</i>-(3,4-dimethyl-1,2-oxazol-5-yl)benzenesulfonamide‒3,5-dinitrobenzoic acid (1/1)","Acta Crystallographica Section C","2016","72","8","","","10.1107/S2053229616010494","","","0.71073","MoKα","","0.0709","0.0474","","","0.112","0.1303","","","","","","1.041","","","","has coordinates,has Fobs","184413","2020-10-21","18:00:00",""
"2020553","9.0386","0.0009","8.2036","0.0008","25.119","0.003","90","","96.385","0.01","90","","1851","0.3","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","3-Acetyl-8-allyl-6-methyl-2-phenylquinolin-4-yl acetate","","- C23 H21 N O3 -","- C23 H21 N O3 -","- C92 H84 N4 O12 -","4","1","YF3108","Luque, Adriana L.; Sanabria, Carlos M.; Palma, Alirio; Cobo, Justo; Glidewell, Christopher","Unexpected ring-closure products derived from 3-(2-allylanilino)-3-phenylacrylate esters: crystal and molecular structures of 3-acetyl-8-allyl-6-methyl-2-phenylquinolin-4-yl acetate and (2<i>RS</i>)-2,8-dimethyl-4-phenyl-1,2-dihydro-6<i>H</i>-pyrrolo[3,2,1-<i>ij</i>]quinolin-6-one","Acta Crystallographica Section C","2016","72","8","","","10.1107/S2053229616011062","","","0.71073","MoKα","","0.1247","0.0573","","","0.1019","0.1257","","","","","","1.033","","","","has coordinates,has Fobs","184463","2020-10-21","18:00:00",""
"2020554","17.756","0.005","10.364","0.003","15.232","0.004","90","","92.774","0.008","90","","2799.8","1.3","120","2","120","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","(2<i>RS</i>)-2,8-Dimethyl-4-phenyl-1,2-dihydro-6<i>H</i>-pyrrolo[3,2,1-<i>ij</i>]quinolin-6-one","","- C19 H17 N O -","- C19 H17 N O -","- C152 H136 N8 O8 -","8","1","YF3108","Luque, Adriana L.; Sanabria, Carlos M.; Palma, Alirio; Cobo, Justo; Glidewell, Christopher","Unexpected ring-closure products derived from 3-(2-allylanilino)-3-phenylacrylate esters: crystal and molecular structures of 3-acetyl-8-allyl-6-methyl-2-phenylquinolin-4-yl acetate and (2<i>RS</i>)-2,8-dimethyl-4-phenyl-1,2-dihydro-6<i>H</i>-pyrrolo[3,2,1-<i>ij</i>]quinolin-6-one","Acta Crystallographica Section C","2016","72","8","","","10.1107/S2053229616011062","","","0.71073","MoKα","","0.1047","0.0534","","","0.1049","0.1287","","","","","","1.101","","","","has coordinates,has Fobs","184463","2020-10-21","18:00:00",""
"2020555","7.1772","0.0005","9.9314","0.0006","14.4116","0.0009","96.7621","0.0012","91.9467","0.0012","100.112","0.0012","1002.69","0.11","100","2","100","2","","","","","","","","4","P -1","-P 1","2","Strontium vanadium tellurite","Heptastrontium tetravanadium dodecatelluride hentetracontaoxide","","- O41 Sr7 Te12 V4 -","- O41 Sr7 Te12 V4 -","- O41 Sr7 Te12 V4 -","1","0.5","OV3079","Kim, Sun Woo; Emge, Thomas J.; Greenblatt, Martha","A new one-dimensional strontium vanadium tellurite, Sr~7~V~4~Te~12~O~41~","Acta Crystallographica Section C","2016","72","8","","","10.1107/S2053229616011475","","","0.71073","MoKα","","0.0362","0.0331","","","0.0834","0.0848","","","","","","1.07","","","","has coordinates,has Fobs","184561","2020-10-21","18:00:00",""
"2020556","7.9688","0.001","11.2412","0.0015","14.6144","0.0019","109.442","0.01","92.075","0.011","100.877","0.011","1205.4","0.3","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","2,4-Diaminopyrimidinium 6-propyl-2-thiouracilate‒2,4-diaminopyrimidine‒<i>N</i>,<i>N</i>-dimethylacetamide‒water (1/1/1/1)","","- C19 H33 N11 O3 S -","- C19 H33 N11 O3 S -","- C38 H66 N22 O6 S2 -","2","1","","Hützler, Wilhelm Maximilian; Egert, Ernst; Bolte, Michael","6-Propyl-2-thiouracil <i>versus</i> 6-methoxymethyl-2-thiouracil: enhancing the hydrogen-bonded synthon motif by replacement of a methylene group with an O atom","Acta Crystallographica Section C","2016","72","8","","","10.1107/S2053229616011281","","","0.71073","MoKα","","0.0533","0.0363","","","0.0868","0.092","","","","","","1.009","","","","has coordinates,has disorder,has Fobs","184562","2020-10-21","18:00:00",""
"2020557","7.2516","0.0016","8.9841","0.0017","10.736","0.002","109.275","0.016","109.132","0.017","97.283","0.017","601.7","0.2","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","6-Methoxymethyl-2-thiouracil‒<i>N</i>,<i>N</i>-dimethylformamide (1/1)","","- C9 H15 N3 O3 S -","- C9 H15 N3 O3 S -","- C18 H30 N6 O6 S2 -","2","1","","Hützler, Wilhelm Maximilian; Egert, Ernst; Bolte, Michael","6-Propyl-2-thiouracil <i>versus</i> 6-methoxymethyl-2-thiouracil: enhancing the hydrogen-bonded synthon motif by replacement of a methylene group with an O atom","Acta Crystallographica Section C","2016","72","8","","","10.1107/S2053229616011281","","","0.71073","MoKα","","0.0453","0.0422","","","0.1137","0.1162","","","","","","1.04","","","","has coordinates,has Fobs","184562","2020-10-21","18:00:00",""
"2020558","8.209","0.0015","9.1804","0.0017","9.5617","0.0017","65.128","0.014","83.198","0.015","78.854","0.014","640.9","0.2","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","6-Methoxymethyl-2-thiouracil‒<i>N</i>,<i>N</i>-dimethylacetamide (1/1)","","- C10 H17 N3 O3 S -","- C10 H17 N3 O3 S -","- C20 H34 N6 O6 S2 -","2","1","","Hützler, Wilhelm Maximilian; Egert, Ernst; Bolte, Michael","6-Propyl-2-thiouracil <i>versus</i> 6-methoxymethyl-2-thiouracil: enhancing the hydrogen-bonded synthon motif by replacement of a methylene group with an O atom","Acta Crystallographica Section C","2016","72","8","","","10.1107/S2053229616011281","","","0.71073","MoKα","","0.0553","0.0353","","","0.0744","0.0786","","","","","","0.961","","","","has coordinates,has disorder,has Fobs","184562","2020-10-21","18:00:00",""
"2020559","8.1891","0.0007","17.7131","0.0013","8.3032","0.0008","90","","94.643","0.008","90","","1200.46","0.18","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","6-Methoxymethyl-2-thiouracil‒dimethyl sulfoxide (1/1)","","- C8 H14 N2 O3 S2 -","- C8 H14 N2 O3 S2 -","- C32 H56 N8 O12 S8 -","4","1","","Hützler, Wilhelm Maximilian; Egert, Ernst; Bolte, Michael","6-Propyl-2-thiouracil <i>versus</i> 6-methoxymethyl-2-thiouracil: enhancing the hydrogen-bonded synthon motif by replacement of a methylene group with an O atom","Acta Crystallographica Section C","2016","72","8","","","10.1107/S2053229616011281","","","0.71073","MoKα","","0.0481","0.0366","","","0.0836","0.0869","","","","","","1.026","","","","has coordinates,has Fobs","184562","2020-10-21","18:00:00",""
"2020560","6.7673","0.0013","9.9189","0.0015","10.4097","0.0017","82.868","0.013","74.093","0.013","74.741","0.013","647.3","0.2","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","6-Methoxymethyl-2-thiouracil‒1-methylpyrrolidin-2-one (1/1)","","- C11 H17 N3 O3 S -","- C11 H17 N3 O3 S -","- C22 H34 N6 O6 S2 -","2","1","","Hützler, Wilhelm Maximilian; Egert, Ernst; Bolte, Michael","6-Propyl-2-thiouracil <i>versus</i> 6-methoxymethyl-2-thiouracil: enhancing the hydrogen-bonded synthon motif by replacement of a methylene group with an O atom","Acta Crystallographica Section C","2016","72","8","","","10.1107/S2053229616011281","","","0.71073","MoKα","","0.046","0.0402","","","0.1092","0.1124","","","","","","1.091","","","","has coordinates,has Fobs","184562","2020-10-21","18:00:00",""
"2020561","4.6843","0.0004","13.9818","0.0019","19.5128","0.0019","90","","91.45","0.008","90","","1277.6","0.2","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2,4-Diaminopyrimidinium 6-methoxymethyl-2-thiouracilate","","- C10 H14 N6 O2 S -","- C10 H14 N6 O2 S -","- C40 H56 N24 O8 S4 -","4","1","","Hützler, Wilhelm Maximilian; Egert, Ernst; Bolte, Michael","6-Propyl-2-thiouracil <i>versus</i> 6-methoxymethyl-2-thiouracil: enhancing the hydrogen-bonded synthon motif by replacement of a methylene group with an O atom","Acta Crystallographica Section C","2016","72","8","","","10.1107/S2053229616011281","","","0.71073","MoKα","","0.1074","0.0682","","","0.1475","0.1676","","","","","","0.955","","","","has coordinates,has Fobs","184562","2020-10-21","18:00:00",""
"2020562","6.8086","0.0004","8.1414","0.0005","18.6651","0.0014","90","","90","","90","","1034.64","0.12","173","2","173","2","","","","","","","","5","P 2 2 21","P 2c 2","17","","2,4,6-Triaminopyrimidinium 6-methoxymethyl-2-thiouracilate‒6-methoxymethyl-2-thiouracil (1/1)","","- C16 H23 N9 O4 S2 -","- C16 H23 N9 O4 S2 -","- C32 H46 N18 O8 S4 -","2","0.5","","Hützler, Wilhelm Maximilian; Egert, Ernst; Bolte, Michael","6-Propyl-2-thiouracil <i>versus</i> 6-methoxymethyl-2-thiouracil: enhancing the hydrogen-bonded synthon motif by replacement of a methylene group with an O atom","Acta Crystallographica Section C","2016","72","8","","","10.1107/S2053229616011281","","","0.71073","MoKα","","0.0244","0.0239","","","0.062","0.0623","","","","","","1.128","","","","has coordinates,has disorder,has Fobs","184562","2020-10-21","18:00:00",""
"2020563","23.095","0.005","6.843","0.0014","26.222","0.005","90","","90","","90","","4144.1","1.5","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","Poly[aquabis[μ~3~-5-carboxy-2-(pyridin-3-yl)-1<i>H</i>-imidazole-4-carboxylato-κ^5^<i>N</i>^1^,<i>O</i>^5^:<i>N</i>^3^,<i>O</i>^4^:<i>N</i>^2^]copper(II)dicopper(I)]","","- C20 H12 Cu3 N6 O9 -","- C20 H12 Cu3 N6 O9 -","- C160 H96 Cu24 N48 O72 -","8","1","EG3205","Zhang, Li-Yang; Lu, Li-Ping; Feng, Si-Si","A two-dimensional mixed-valence Cu^II^/Cu^I^ coordination polymer constructed from 2-(pyridin-3-yl)-1<i>H</i>-imidazole-4,5-dicarboxylate","Acta Crystallographica Section C","2016","72","8","","","10.1107/S205322961601161X","","","0.72","synchrotron","","0.0379","0.035","","","0.0996","0.1015","","","","","","1.077","","","","has coordinates,has Fobs","184617","2020-10-21","18:00:00",""
"2020564","10.059","0.006","20.839","0.013","13.198","0.008","90","","106.567","0.009","90","","2652","3","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Poly[[μ~2~-1,4-bis(imidazol-1-ylmethyl)benzene-κ^2^<i>N</i>^3^:<i>N</i>^3'^]bis(μ~3~-2,2-dimethylbutanoato-κ^3^<i>O</i>^1^:<i>O</i>^4^:<i>O</i>^4'^)dizinc(II)]","","- C26 H30 N4 O8 Zn2 -","- C26 H30 N4 O8 Zn2 -","- C104 H120 N16 O32 Zn8 -","4","0.5","YF3105","Liu, Yang; Feng, Yong-Lan; Fu, Wei-Wei","Synthesis, structure, thermostability and luminescence properties of ZnIIand CdIIcoordination polymers based on dimethysuccinate and flexible 1,4-bis(imidazol-1-ylmethyl)benzene ligands","Acta Crystallographica Section C Structural Chemistry","2016","72","9","","","10.1107/S2053229616010603","","","0.71073","MoKα","","0.0504","0.0385","","","0.0926","0.0981","","","","","","1.004","","","","has coordinates,has Fobs","185736","2020-10-21","18:00:00",""
"2020565","10.575","0.003","20.477","0.005","13.938","0.003","90","","115.703","0.014","90","","2719.6","1.2","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Poly[[μ~2~-1,4-bis(imidazol-1-ylmethyl)benzene-κ^2^<i>N</i>^3^:<i>N</i>^3'^]bis(μ~3~-2,2-dimethylbutanoato-κ^3^<i>O</i>^1^:<i>O</i>^4^:<i>O</i>^4'^)dicadmium(II)]","","- C26 H30 Cd2 N4 O8 -","- C26 H30 Cd2 N4 O8 -","- C104 H120 Cd8 N16 O32 -","4","0.5","","Liu, Yang; Feng, Yong-Lan; Fu, Wei-Wei","Synthesis, structure, thermostability and luminescence properties of ZnIIand CdIIcoordination polymers based on dimethysuccinate and flexible 1,4-bis(imidazol-1-ylmethyl)benzene ligands","Acta Crystallographica Section C Structural Chemistry","2016","72","9","","","10.1107/S2053229616010603","","","0.71073","MoKα","","0.0388","0.0342","","","0.089","0.0924","","","","","","1.049","","","","has coordinates,has Fobs","185736","2020-10-21","18:00:00",""
"2020566","14.73","0.006","12.413","0.005","16.464","0.005","90","","90","","90","","3010","2","296","2","296","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","(<i>E</i>)-1-[(2-Chloroquinolin-3-yl)methylidene]-2-(4-methylphenyl)hydrazine","","- C17 H14 Cl N3 -","- C17 H14 Cl N3 -","- C136 H112 Cl8 N24 -","8","1","SK3635","Kumara, Tholappanavara H. Suresha; Nagendrappa, Gopalpur; Chandrika, Nanjappa; Sowmya, Haliwana B. V.; Kaur, Manpreet; Jasinski, Jerry P.; Glidewell, Christopher","Reactions between arylhydrazinium chlorides and 2-chloroquinoline-3-carbaldehydes: molecular and supramolecular structures of a hydrazone, a 4,9-dihydro-1<i>H</i>-pyrazolo[3,4-<i>b</i>]quinoline and two 1<i>H</i>-pyrazolo[3,4-<i>b</i>]quinolines","Acta Crystallographica Section C","2016","72","9","","","10.1107/S205322961601278X","","","0.71073","MoKα","","0.0841","0.0427","","","0.1071","0.1252","","","","","","1.015","","","","has coordinates,has Fobs","185968","2020-10-21","18:00:00",""
"2020567","6.6676","0.0017","26.571","0.008","7.912","0.002","90","","104.561","0.009","90","","1356.7","0.6","300","2","300","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","1-(4-Methylphenyl)-4,9-dihydro-1<i>H</i>-pyrazolo[3,4-<i>b</i>]quinoline","","- C17 H15 N3 -","- C17 H15 N3 -","- C68 H60 N12 -","4","1","SK3635","Kumara, Tholappanavara H. Suresha; Nagendrappa, Gopalpur; Chandrika, Nanjappa; Sowmya, Haliwana B. V.; Kaur, Manpreet; Jasinski, Jerry P.; Glidewell, Christopher","Reactions between arylhydrazinium chlorides and 2-chloroquinoline-3-carbaldehydes: molecular and supramolecular structures of a hydrazone, a 4,9-dihydro-1<i>H</i>-pyrazolo[3,4-<i>b</i>]quinoline and two 1<i>H</i>-pyrazolo[3,4-<i>b</i>]quinolines","Acta Crystallographica Section C","2016","72","9","","","10.1107/S205322961601278X","","","0.71073","MoKα","","0.1098","0.0596","","","0.137","0.1568","","","","","","1.043","","","","has coordinates,has Fobs","185968","2020-10-21","18:00:00",""
"2020568","25.145","0.002","16.9623","0.0019","16.8138","0.0019","90","","90","","90","","7171.4","1.3","300","2","300","2","","","","","","","","3","P b c n","-P 2n 2ab","60","","1-Phenyl-1<i>H</i>-pyrazolo[3,4-<i>b</i>]quinoline","","- C16 H11 N3 -","- C16 H11 N3 -","- C384 H264 N72 -","24","3","SK3635","Kumara, Tholappanavara H. Suresha; Nagendrappa, Gopalpur; Chandrika, Nanjappa; Sowmya, Haliwana B. V.; Kaur, Manpreet; Jasinski, Jerry P.; Glidewell, Christopher","Reactions between arylhydrazinium chlorides and 2-chloroquinoline-3-carbaldehydes: molecular and supramolecular structures of a hydrazone, a 4,9-dihydro-1<i>H</i>-pyrazolo[3,4-<i>b</i>]quinoline and two 1<i>H</i>-pyrazolo[3,4-<i>b</i>]quinolines","Acta Crystallographica Section C","2016","72","9","","","10.1107/S205322961601278X","","","0.71073","MoKα","","0.0821","0.0471","","","0.1002","0.1187","","","","","","1.082","","","","has coordinates,has Fobs","185968","2020-10-21","18:00:00",""
"2020569","29.9202","0.0012","29.9202","0.0012","7.3811","0.0003","90","","90","","120","","5722.4","0.4","296","2","296","2","","","","","","","","3","R -3 :H","-R 3","148","","6-Methyl-1-phenyl-1<i>H</i>-pyrazolo[3,4-<i>b</i>]quinoline","","- C17 H13 N3 -","- C17 H13 N3 -","- C306 H234 N54 -","18","1","SK3635","Kumara, Tholappanavara H. Suresha; Nagendrappa, Gopalpur; Chandrika, Nanjappa; Sowmya, Haliwana B. V.; Kaur, Manpreet; Jasinski, Jerry P.; Glidewell, Christopher","Reactions between arylhydrazinium chlorides and 2-chloroquinoline-3-carbaldehydes: molecular and supramolecular structures of a hydrazone, a 4,9-dihydro-1<i>H</i>-pyrazolo[3,4-<i>b</i>]quinoline and two 1<i>H</i>-pyrazolo[3,4-<i>b</i>]quinolines","Acta Crystallographica Section C","2016","72","9","","","10.1107/S205322961601278X","","","0.71073","MoKα","","0.0814","0.0564","","","0.1468","0.1729","","","","","","1.039","","","","has coordinates,has Fobs","185968","2020-10-21","18:00:00",""
"2020570","10.1018","0.0004","10.6099","0.0005","18.8129","0.0011","100.292","0.003","91.881","0.003","116.873","0.002","1754.78","0.15","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","2-(4-Chlorophenyl)-<i>N</i>-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1<i>H</i>-pyrazol-4-yl)acetamide","","- C19 H18 Cl N3 O2 -","- C19 H18 Cl N3 O2 -","- C76 H72 Cl4 N12 O8 -","4","2","SK3634","Narayana, Badiadka; Yathirajan, Hemmige S.; Rathore, Ravindranath S.; Glidewell, Christopher","Different molecular conformations co-exist in each of three 2-aryl-<i>N</i>-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1<i>H</i>-pyrazol-4-yl)acetamides: hydrogen bonding in zero, one and two dimensions","Acta Crystallographica Section C","2016","72","9","","","10.1107/S2053229616012870","","","0.71073","MoKα","","0.0738","0.0457","","","0.1114","0.1326","","","","","","1.033","","","","has coordinates,has Fobs","185969","2020-10-21","18:00:00",""
"2020571","23.023","0.003","8.2976","0.001","21.602","0.003","90","","120.957","0.014","90","","3538.9","1","295","2","295","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","2-(2-Chlorophenyl)-<i>N</i>-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1<i>H</i>-pyrazol-4-yl)acetamide","","- C19 H18 Cl N3 O2 -","- C19 H18 Cl N3 O2 -","- C152 H144 Cl8 N24 O16 -","8","1","SK3634","Narayana, Badiadka; Yathirajan, Hemmige S.; Rathore, Ravindranath S.; Glidewell, Christopher","Different molecular conformations co-exist in each of three 2-aryl-<i>N</i>-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1<i>H</i>-pyrazol-4-yl)acetamides: hydrogen bonding in zero, one and two dimensions","Acta Crystallographica Section C","2016","72","9","","","10.1107/S2053229616012870","","","0.71073","MoKα","","0.0684","0.0512","","","0.1333","0.1494","","","","","","1.025","","","","has coordinates,has disorder,has Fobs","185969","2020-10-21","18:00:00",""
"2020572","5.299","0.0011","9.072","0.0018","10.604","0.002","92.3","0.03","90.1","0.03","99.61","0.03","502.18","0.18","101","2","101","2","","","","","","","","3","P -1","-P 1","2","","3,14-Dimethyl-2,6,13,17-tetraazapentacyclo[16.4.0.1^2,17^.1^6,13^.0^7,12^]tetracosane","","- C22 H40 N4 -","- C22 H40 N4 -","- C22 H40 N4 -","1","0.5","EG3206","Moon, Dohyun; Hong, Yong Pyo; Choi, Jong-Ha","Spectroscopic characterization and molecular structure of 3,14-dimethyl-2,6,13,17-tetraazapentacyclo[16.4.0.1^2,17^.1^6,13^.0^7,12^]tetracosane","Acta Crystallographica Section C","2016","72","9","","","10.1107/S2053229616013280","","","0.63001","synchrotron","","0.0978","0.0623","","","0.1628","0.189","","","","","","0.972","","","","has coordinates,has Fobs","186035","2020-10-21","18:00:00",""
"2020573","20.6614","0.0019","12.6052","0.0011","9.1691","0.0009","90","","109.284","0.009","90","","2254","0.4","110","2","110","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","1,3-Bis(3-fluorophenyl)urea","","- C13 H10 F2 N2 O -","- C13 H10 F2 N2 O -","- C104 H80 F16 N16 O8 -","8","1","LG3192","Capacci-Daniel, Christina A.; Bertke, Jeffery A.; Dehghan, Shoaleh; Hiremath-Darji, Rupa; Swift, Jennifer A.","Concomitant polymorphs of 1,3-bis(3-fluorophenyl)urea","Acta Crystallographica Section C","2016","72","9","","","10.1107/S2053229616013565","","","0.71073","MoKα","","0.0827","0.0542","","","0.1277","0.1452","","","","","","1.127","","","","has coordinates,has disorder,has Fobs","186036","2020-10-21","18:00:00",""
"2020574","23.5797","0.0019","10.1792","0.0008","4.6031","0.0004","90","","90","","90","","1104.85","0.16","100","2","100","2","","","","","","","","5","P n a 21","P 2c -2n","33","b-mFPU","1,3-Bis(3-fluorophenyl)urea","","- C13 H10 F2 N2 O -","- C13 H10 F2 N2 O -","- C52 H40 F8 N8 O4 -","4","1","","Capacci-Daniel, Christina A.; Bertke, Jeffery A.; Dehghan, Shoaleh; Hiremath-Darji, Rupa; Swift, Jennifer A.","Concomitant polymorphs of 1,3-bis(3-fluorophenyl)urea","Acta Crystallographica Section C","2016","72","9","","","10.1107/S2053229616013565","","","0.71073","MoKα","","0.0333","0.0299","","","0.0696","0.0715","","","","","","1.049","","","","has coordinates,has disorder,has Fobs","186036","2020-10-21","18:00:00",""
"2020575","12.033","0.0017","4.0256","0.0003","11.5992","0.0015","90","","118.346","0.01","90","","494.5","0.11","173","2","173","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","Pyrimidine-2,4-diamine","","- C4 H6 N4 -","- C4 H6 N4 -","- C16 H24 N16 -","4","1","","Hützler, Wilhelm Maximilian; Egert, Ernst; Bolte, Michael","One barbiturate and two solvated thiobarbiturates containing the triply hydrogen-bonded <i>ADA</i>/<i>DAD</i> synthon, plus one ansolvate and three solvates of their coformer 2,4-diaminopyrimidine","Acta Crystallographica Section C","2016","72","9","","","10.1107/S205322961601336X","","","0.71073","MoKα","","0.0422","0.0386","","","0.1074","0.1095","","","","","","1.1","","","","has coordinates,has Fobs","186037","2020-10-21","18:00:00",""
"2020576","7.6282","0.0014","7.2157","0.0009","13.879","0.002","90","","102.243","0.015","90","","746.6","0.2","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Pyrimidine-2,4-diamine‒1,4-dioxane (2/1)","","- C6 H10 N4 O -","- C6 H10 N4 O -","- C24 H40 N16 O4 -","4","1","","Hützler, Wilhelm Maximilian; Egert, Ernst; Bolte, Michael","One barbiturate and two solvated thiobarbiturates containing the triply hydrogen-bonded <i>ADA</i>/<i>DAD</i> synthon, plus one ansolvate and three solvates of their coformer 2,4-diaminopyrimidine","Acta Crystallographica Section C","2016","72","9","","","10.1107/S205322961601336X","","","0.71073","MoKα","","0.0406","0.0362","","","0.0951","0.0972","","","","","","1.117","","","","has coordinates,has Fobs","186037","2020-10-21","18:00:00",""
"2020577","8.0055","0.001","8.0256","0.001","9.3143","0.0011","81.779","0.002","78.053","0.002","62.518","0.002","518.63","0.11","180","2","180","2","","","","","","","","4","P -1","-P 1","2","","Pyrimidine-2,4-diamine‒<i>N</i>,<i>N</i>-dimethylacetamide (1/1)","","- C8 H15 N5 O -","- C8 H15 N5 O -","- C16 H30 N10 O2 -","2","1","","Hützler, Wilhelm Maximilian; Egert, Ernst; Bolte, Michael","One barbiturate and two solvated thiobarbiturates containing the triply hydrogen-bonded <i>ADA</i>/<i>DAD</i> synthon, plus one ansolvate and three solvates of their coformer 2,4-diaminopyrimidine","Acta Crystallographica Section C","2016","72","9","","","10.1107/S205322961601336X","","","0.71073","MoKα","","0.1665","0.1125","","","0.2535","0.2856","","","","","","1.122","","","","has coordinates,has disorder,has Fobs","186037","2020-10-21","18:00:00",""
"2020578","7.387","0.0006","24.8978","0.0013","11.5485","0.0008","90","","98.824","0.006","90","","2098.9","0.3","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Pyrimidine-2,4-diamine‒1-methylpyrrolidin-2-one (1/1)","","- C9 H15 N5 O -","- C9 H15 N5 O -","- C72 H120 N40 O8 -","8","2","","Hützler, Wilhelm Maximilian; Egert, Ernst; Bolte, Michael","One barbiturate and two solvated thiobarbiturates containing the triply hydrogen-bonded <i>ADA</i>/<i>DAD</i> synthon, plus one ansolvate and three solvates of their coformer 2,4-diaminopyrimidine","Acta Crystallographica Section C","2016","72","9","","","10.1107/S205322961601336X","","","0.71073","MoKα","","0.0634","0.054","","","0.1484","0.1565","","","","","","1.035","","","","has coordinates,has Fobs","186037","2020-10-21","18:00:00",""
"2020579","4.6822","0.0007","15.948","0.003","13.514","0.002","90","","90.24","0.013","90","","1009.1","0.3","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","2,4-Diaminopyrimidinium barbiturate","2,4-Diaminopyrimidinium 2,4,6-trioxopyrimidin-5-ide","","- C8 H10 N6 O3 -","- C8 H10 N6 O3 -","- C32 H40 N24 O12 -","4","1","","Hützler, Wilhelm Maximilian; Egert, Ernst; Bolte, Michael","One barbiturate and two solvated thiobarbiturates containing the triply hydrogen-bonded <i>ADA</i>/<i>DAD</i> synthon, plus one ansolvate and three solvates of their coformer 2,4-diaminopyrimidine","Acta Crystallographica Section C","2016","72","9","","","10.1107/S205322961601336X","","","0.71073","MoKα","","0.0751","0.0488","","","0.0895","0.0972","","","","","","0.971","","","","has coordinates,has Fobs","186037","2020-10-21","18:00:00",""
"2020580","8.0115","0.0009","19.2213","0.0014","12.9531","0.0013","90","","90.23","0.008","90","","1994.7","0.3","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","2,4-Diaminopyrimidinium 2-thiobarbiturate‒<i>N</i>,<i>N</i>-dimethylformamide (1/2)","2,4-Diaminopyrimidinium 4,6-dioxo-2-sulfanylidenepyrimidin-5-ide‒<i>N</i>,<i>N</i>-dimethylformamide (1/2)","","- C14 H24 N8 O4 S -","- C14 H24 N8 O4 S -","- C56 H96 N32 O16 S4 -","4","1","","Hützler, Wilhelm Maximilian; Egert, Ernst; Bolte, Michael","One barbiturate and two solvated thiobarbiturates containing the triply hydrogen-bonded <i>ADA</i>/<i>DAD</i> synthon, plus one ansolvate and three solvates of their coformer 2,4-diaminopyrimidine","Acta Crystallographica Section C","2016","72","9","","","10.1107/S205322961601336X","","","0.71073","MoKα","","0.0552","0.0404","","","0.0977","0.1037","","","","","","1.038","","","","has coordinates,has disorder,has Fobs","186037","2020-10-21","18:00:00",""
"2020581","9.8868","0.0012","17.238","0.0014","12.8571","0.0014","90","","88.151","0.009","90","","2190.1","0.4","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","2,4-Diaminopyrimidinium 2-thiobarbiturate‒<i>N</i>,<i>N</i>-dimethylacetamide (1/2)","2,4-Diaminopyrimidinium 4,6-dioxo-2-sulfanylidene‒<i>N</i>,<i>N</i>-dimethylacetamide (1/2)","","- C16 H28 N8 O4 S -","- C16 H28 N8 O4 S -","- C64 H112 N32 O16 S4 -","4","1","","Hützler, Wilhelm Maximilian; Egert, Ernst; Bolte, Michael","One barbiturate and two solvated thiobarbiturates containing the triply hydrogen-bonded <i>ADA</i>/<i>DAD</i> synthon, plus one ansolvate and three solvates of their coformer 2,4-diaminopyrimidine","Acta Crystallographica Section C","2016","72","9","","","10.1107/S205322961601336X","","","0.71073","MoKα","","0.0822","0.0471","","","0.0939","0.1034","","","","","","0.984","","","","has coordinates,has disorder,has Fobs","186037","2020-10-21","18:00:00",""
"2020582","11.6762","0.0012","18.3463","0.0019","16.07","0.0016","90","","100.105","0.002","90","","3389","0.6","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Bis{μ~3~-(<i>E</i>)-2-[(2-oxidobenzylidene)amino]phenolato}bis{μ~2~-(<i>E</i>)-2-[(2-oxidobenzylidene)amino]phenolato}bis(1,10-phenanthroline)tetracobalt(II)","","- C80 H60 Co4 N8 O8 -","- C80 H60 Co4 N8 O8 -","- C160 H120 Co8 N16 O16 -","2","0.5","LF3039","Wang, Yingying; Wen, Meixia; Gao, Zhongjun; Sheng, Ning","Crystal structure and magnetic properties of a linear tetranuclear Co^II^ cluster","Acta Crystallographica Section C","2016","72","9","","","10.1107/S205322961601281X","","","0.71073","MoKα","","0.0824","0.0397","","","0.0816","0.0958","","","","","","0.998","","","","has coordinates,has Fobs","186038","2020-10-21","18:00:00",""
"2020583","16.4384","0.0011","25.2929","0.0018","6.9599","0.0005","90","","91.493","0.003","90","","2892.8","0.4","180","2","180","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Poly[[diaqua[μ~4~-(4,5-dicyano-1,2-phenylene)bis(phosphonato)][μ~3~-(4,5-dicyano-1,2-phenylene)bis(phosphonato)]dicalcium(II)] tetrahydrate]","","- C16 H20 Ca2 N4 O18 P4 -","- C16 H18 Ca2 N4 O18 P4 -","- C64 H72 Ca8 N16 O72 P16 -","4","1","","Venkatramaiah, Nutalapati; Mendes, Ricardo F.; Silva, Artur M. S.; Tomé, João P. C.; Almeida Paz, Filipe A.","A ladder coordination polymer based on Ca^2+^ and (4,5-dicyano-1,2-phenylene)bis(phosphonic acid): crystal structure and solution-state NMR study","Acta Crystallographica Section C","2016","72","9","","","10.1107/S2053229616012328","","","0.71073","MoKα","","0.073","0.0509","","","0.1249","0.1326","","","","","","1.122","","","","has coordinates,has Fobs","186039","2020-10-21","18:00:00",""
"2020584","9.995","0.002","10.294","0.002","10.796","0.002","108.73","0.03","99.81","0.03","94.99","0.03","1024.6","0.4","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","Poly[diaqua(μ~4~-1,4-bis{[1-(pyridin-3-ylmethyl)-1<i>H</i>-benz[<i>d</i>]imidazol-2-yl]methoxy}benzene)bis(μ~2~-isophthalato)dicobalt(II)]","","- C25 H20 Co N3 O6 -","- C25 H20 Co N3 O6 -","- C50 H40 Co2 N6 O12 -","2","1","","Hasi, Qi-Meige; Fan, Yan; Hou, Chen; Yao, Xiao-Qiang; Liu, Jia-Cheng","Two new two-dimensional coordination polymers based on isophthalate and a flexible <i>N</i>-donor ligand containing benzimidazole and pyridine rings: synthesis, crystal structures and a solid-state UV‒Vis study","Acta Crystallographica Section C","2016","72","10","724","729","10.1107/S2053229616012912","","","0.71073","MoKα","","0.0558","0.0444","","","0.0941","0.1037","","","","","","1.036","","","","has coordinates,has Fobs","187987","2020-10-21","18:00:00",""
"2020585","9.9608","0.0008","10.548","0.001","11.1137","0.0013","108.408","0.01","99.712","0.008","96.218","0.007","1075.6","0.2","294.77","0.1","294.77","0.1","","","","","","","","5","P -1","-P 1","2","","Poly[diaqua(μ~4~-1,4-bis{[1-(pyridin-3-ylmethyl)-1<i>H</i>-benz[<i>d</i>]imidazol-2-yl]methoxy}benzene)bis(μ~2~-isophthalato)dicadmium(II)]","","- C25 H20 Cd N3 O6 -","- C25 H20 Cd N3 O6 -","- C50 H40 Cd2 N6 O12 -","2","1","","Hasi, Qi-Meige; Fan, Yan; Hou, Chen; Yao, Xiao-Qiang; Liu, Jia-Cheng","Two new two-dimensional coordination polymers based on isophthalate and a flexible <i>N</i>-donor ligand containing benzimidazole and pyridine rings: synthesis, crystal structures and a solid-state UV‒Vis study","Acta Crystallographica Section C","2016","72","10","724","729","10.1107/S2053229616012912","","","0.71073","MoKα","","0.0516","0.0415","","","0.0844","0.0925","","","","","","1.018","","","","has coordinates,has Fobs","187987","2020-10-21","18:00:00",""
"2020586","6.577","0.0002","9.5518","0.0003","17.8425","0.0013","90","","96.026","0.005","90","","1114.71","0.1","93","2","93","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Isobutylammonium 7-oxocyclohepta-1,3,5-trien-1-olate","","- C11 H17 N O2 -","- C11 H17 N O2 -","- C44 H68 N4 O8 -","4","1","FN3219","Vealey, Zachary N.; Mercado, Brandon Q.; Vaccaro, Patrick H.","The tropolone‒isobutylamine complex: a hydrogen-bonded troponoid without dominant π‒π interactions","Acta Crystallographica Section C","2016","72","10","730","737","10.1107/S2053229616013474","","","1.54178","CuKα","","0.0401","0.0357","","","0.0934","0.0964","","","","","","1.071","","","","has coordinates,has Fobs","187991","2020-10-21","18:00:00",""
"2020587","8.529","0.002","7.352","0.002","15.075","0.003","90","","100.18","0.03","90","","930.4","0.4","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","7-ethyl-10-hydroxycamptothecin","(4S)-4,11-Diethyl-4,9-dihydroxy-1H-pyrano[3',4':6,7] indolizino[1,2-b]quinoline-3,14(4H,12H)dione","","- C22 H22 N2 O6 -","- C22 H22 N2 O6 -","- C44 H44 N4 O12 -","2","1","YO3022","Ali, Md. Ashraf; Noguchi, Shuji; Watanabe, Miteki; Iwao, Yasunori; Itai, Shigeru","The antitumour drug 7-ethyl-10-hydroxycamptothecin monohydrate and its solid-state hydrolysis mechanism on heating","Acta Crystallographica Section C","2016","72","10","743","747","10.1107/S2053229616014492","","","0.70041","synchrotron(SPring-8BL02B1)","","0.0543","0.0431","","","0.1114","0.1197","","","","","","0.836","","","","has coordinates","187988","2020-10-21","18:00:00",""
"2020588","14.521","0.0008","15.5102","0.0009","15.6438","0.0009","80.506","0.005","88.951","0.005","70.168","0.005","3266.3","0.3","100","2","100","2","","","","","","","","4","P -1","-P 1","2","tryptaminium 3,5-dinitrobenzoate‒quinoline‒water (3/3/2/2)","Tryptaminium‒3,5-dinitrobenzoate‒quinoline‒water (3/3/2/2)","","- C69 H66 N14 O20 -","- C69 H66 N14 O20 -","- C138 H132 N28 O40 -","2","1","KY3107","Lynch, Daniel E.; Smith, Graham; Keene, Tony D.; Horton, Peter N.","Crystal structure and hydrogen bonding in the hydrated cocrystalline salt tryptaminium‒3,5-dinitrobenzoate‒quinoline‒water (3/3/2/2)","Acta Crystallographica Section C","2016","72","10","738","742","10.1107/S2053229616014728","","","0.71073","MoKα","","0.2187","0.0808","","","0.1409","0.1914","","","","","","0.976","","","","has coordinates,has Fobs","187989","2020-10-21","18:00:00",""
"2020589","19.749","0.01","7.284","0.003","13.374","0.007","90","","125.89","0.013","90","","1558.6","1.3","173","2","173","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","1,3-Diacetylbenzene‒1,4-diethynylbenzene (1/1)","1-(3-Acetylphenyl)ethan-1-one‒1,4-diethynylbenzene (1/1)","","- C20 H16 O2 -","- C20 H16 O2 -","- C80 H64 O8 -","4","0.5","FN3222","Bosch, Eric","Cocrystals of 1,4-diethynylbenzene with 1,3-diacetylbenzene and benzene-1,4-dicarbaldehyde exhibiting strong nonconventional alkyne‒carbonyl C—H···O hydrogen bonds between the components","Acta Crystallographica Section C","2016","72","10","748","752","10.1107/S2053229616014972","","","0.71073","MoKα","","0.0648","0.0514","","","0.1422","0.1588","","","","","","1.053","","","","has coordinates,has Fobs","187990","2020-10-21","18:00:00",""
"2020590","7.6207","0.0011","8.5205","0.0013","10.3361","0.0015","90","","91.762","0.003","90","","670.83","0.17","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","Benzene-1,4-dicarbaldehyde‒1,4-diethynylbenzene (1/1)","Benzene-1,4-dicarbaldehyde‒1,4-diethynylbenzene (1/1)","","- C18 H12 O2 -","- C18 H12 O2 -","- C36 H24 O4 -","2","0.5","","Bosch, Eric","Cocrystals of 1,4-diethynylbenzene with 1,3-diacetylbenzene and benzene-1,4-dicarbaldehyde exhibiting strong nonconventional alkyne‒carbonyl C—H···O hydrogen bonds between the components","Acta Crystallographica Section C","2016","72","10","748","752","10.1107/S2053229616014972","","","0.71073","MoKα","","0.0691","0.0474","","","0.1132","0.129","","","","","","1.036","","","","has coordinates,has Fobs","187990","2020-10-21","18:00:00",""
"2020591","8.3747","0.0004","10.5732","0.0005","11.0883","0.0004","76.67","0.004","89.496","0.003","82.641","0.004","947.3","0.07","100.01","0.1","100.01","0.1","","","","","","","","6","P -1","-P 1","2","","(Acetonitrile-κ<i>N</i>)(η^2^-2-allyl-4-methoxy-5-{[(propan-2-yloxy)\ carbonyl]methoxy}phenyl-κ<i>C</i>^1^)chloridoplatinum(II) monohydrate","","- C17 H24 Cl N O5 Pt -","- C17 H24 Cl N O5 Pt -","- C34 H48 Cl2 N2 O10 Pt2 -","2","1","","Nguyen Thi Thanh, Chi; Pham Van, Thong; Le Thi Hong, Hai; Van Meervelt, Luc","Crystallization experiments with the dinuclear chelate ring complex di-μ-chlorido-bis[(η^2^-2-allyl-4-methoxy-5-{[(propan-2-yloxy)carbonyl]methoxy}phenyl-κ<i>C</i>^1^)platinum(II)]","Acta Crystallographica Section C","2016","72","10","758","764","10.1107/S2053229616015151","","","0.71073","MoKα","","0.0242","0.0213","","","0.0491","0.0506","","","","","","1.089","","","","has coordinates,has Fobs","186846","2020-10-21","18:00:00",""
"2020592","8.792","0.0003","12.1383","0.0004","17.4745","0.0006","87.03","0.003","82.074","0.003","87.651","0.003","1843.5","0.11","101","2","101","2","","","","","","","","6","P -1","-P 1","2","","(η^2^-2-Allyl-4-methoxy-5-{[(propan-2-yloxy)carbonyl]methoxy}phenyl-κ<i>C</i>^1^)chlorido(dimethyl sulfoxide-κ<i>N</i>)platinum(II)","","- C16 H23 Cl O5 Pt S -","- C16 H23 Cl O5 Pt S -","- C64 H92 Cl4 O20 Pt4 S4 -","4","2","","Nguyen Thi Thanh, Chi; Pham Van, Thong; Le Thi Hong, Hai; Van Meervelt, Luc","Crystallization experiments with the dinuclear chelate ring complex di-μ-chlorido-bis[(η^2^-2-allyl-4-methoxy-5-{[(propan-2-yloxy)carbonyl]methoxy}phenyl-κ<i>C</i>^1^)platinum(II)]","Acta Crystallographica Section C","2016","72","10","758","764","10.1107/S2053229616015151","","","0.71073","MoKα","","0.0288","0.0239","","","0.0484","0.051","","","","","","1.052","","","","has coordinates,has Fobs","186846","2020-10-21","18:00:00",""
"2020593","13.56","0.0003","7.98332","0.00019","15.8057","0.0004","90","","104.815","0.003","90","","1654.15","0.07","200","0.1","200","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Di-μ-chlorido-bis[(η^2^-2-allyl-4-methoxy-5-{[(propan-2-yloxy)carbonyl]methoxy}phenyl-κ<i>C</i>^1^)platinum(II)]","","- C30 H38 Cl2 O8 Pt2 -","- C30 H38 Cl2 O8 Pt2 -","- C60 H76 Cl4 O16 Pt4 -","2","0.5","","Nguyen Thi Thanh, Chi; Pham Van, Thong; Le Thi Hong, Hai; Van Meervelt, Luc","Crystallization experiments with the dinuclear chelate ring complex di-μ-chlorido-bis[(η^2^-2-allyl-4-methoxy-5-{[(propan-2-yloxy)carbonyl]methoxy}phenyl-κ<i>C</i>^1^)platinum(II)]","Acta Crystallographica Section C","2016","72","10","758","764","10.1107/S2053229616015151","","","0.71073","MoKα","","0.0183","0.0154","","","0.0358","0.0371","","","","","","1.082","","","","has coordinates,has Fobs","186846","2020-10-21","18:00:00",""
"2020594","8.0707","0.0014","7.8733","0.0013","7.9305","0.0013","90","","90","","90","","503.93","0.15","100","2","100","2","","","","","","","","3","P b c n","-P 2n 2ab","60","Acetic anhydride","Ethanoic anhydride","","- C4 H6 O3 -","- C4 H6 O3 -","- C16 H24 O12 -","4","0.5","YF3110","Seidel, Rüdiger W.; Goddard, Richard; Nöthling, Nils; Lehmann, Christian W.","Acetic anhydride at 100K: the first crystal structure determination","Acta Crystallographica Section C","2016","72","10","753","757","10.1107/S2053229616015047","","","1.54178","CuKα","","0.0251","0.0248","","","0.0633","0.0635","","","","","","1.093","","","","has coordinates,has Fobs","186847","2020-10-21","18:00:00",""
"2020595","16.6906","0.0014","9.1942","0.0008","21.0159","0.0017","90","","95.501","0.002","90","","3210.2","0.5","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","<i>catena</i>-Poly[[[dichloridomercury(II)]-μ-<i>N</i>- (pyridin-4-ylmethyl)pyridin-3-amine-κ^2^<i>N</i>:<i>N</i>'] chloroform hemisolvate]","","- C11.5 H11.5 Cl3.5 Hg N3 -","- C11.5 H11.5 Cl3.5 Hg N3 -","- C92 H92 Cl28 Hg8 N24 -","8","1","","Moon, Suk-Hee; Kang, Donghyun; Park, Ki-Min","Crystal structure of an Hg^II^ coordination polymer with an unsymmetrical dipyridyl ligand: <i>catena</i>-poly[[[dichloridomercury(II)]-μ-<i>N</i>-(pyridin-4-ylmethyl)pyridin-3-amine-κ^2^<i>N</i>:<i>N</i>'] chloroform hemisolvate]","Acta Crystallographica Section E","2016","72","11","1513","1516","10.1107/S2056989016015310","","","0.71073","MoKα","","0.0626","0.0328","","","0.0658","0.0735","","","","","","0.987","","","","has coordinates,has disorder,has Fobs","188958","2020-10-21","18:00:00",""
"2020596","10.2899","0.0005","10.6653","0.0004","15.9818","0.001","72.157","0.006","83.838","0.008","67.742","0.007","1545.08","0.16","179","","179","","","","","","","","","8","P -1","-P 1","2","","Dichlorido(methanol-κ<i>O</i>)[tris(3-<i>tert</i>-butyl-2-sulfanylidene-1<i>H</i>-imidazol-1-yl-κ<i>S</i>)hydroborato]bismuth(III)","","- C22 H38 B Bi Cl2 N6 O S3 -","- C22 H38 B Bi Cl2 N6 O S3 -","- C44 H76 B2 Bi2 Cl4 N12 O2 S6 -","2","1","YP3123","Fujisawa, Kiyoshi; Kuboniwa, Ayaka; Kiss, Mercedesz; Szilagyi, Robert K.","Mono- and binuclear tris(3-<i>tert</i>-butyl-2-sulfanylidene-1<i>H</i>-imidazol-1-yl)hydroborate bismuth(III) dichloride complexes: a soft scorpionate ligand can coordinate to <i>p</i>-block elements","Acta Crystallographica Section C","2016","72","11","768","776","10.1107/S2053229616010615","","","0.71075","MoKα","","0.013","0.0123","","","0.0314","0.0315","","","","","","1.009","","","","has coordinates,has Fobs","188933","2020-10-21","18:00:00",""
"2020597","10.8009","0.0011","11.3698","0.0014","11.869","0.0013","95.125","0.004","91.947","0.004","99.549","0.003","1429.9","0.3","179","","179","","","","","","","","","7","P -1","-P 1","2","","Di-μ-chlorido-bis{chlorido[tris(3-<i>tert</i>-butyl-2-sulfanylidene-1<i>H</i>-\ imidazol-1-yl-κ<i>S</i>)hydroborato]bismuth(III)}","","- C42 H68 B2 Bi2 Cl4 N12 S6 -","- C42 H68 B2 Bi2 Cl4 N12 S6 -","- C42 H68 B2 Bi2 Cl4 N12 S6 -","1","0.5","YP3123","Fujisawa, Kiyoshi; Kuboniwa, Ayaka; Kiss, Mercedesz; Szilagyi, Robert K.","Mono- and binuclear tris(3-<i>tert</i>-butyl-2-sulfanylidene-1<i>H</i>-imidazol-1-yl)hydroborate bismuth(III) dichloride complexes: a soft scorpionate ligand can coordinate to <i>p</i>-block elements","Acta Crystallographica Section C","2016","72","11","768","776","10.1107/S2053229616010615","","","0.71075","MoKα","","0.014","0.0132","","","0.0331","0.0332","","","","","","1.043","","","","has coordinates,has Fobs","188933","2020-10-21","18:00:00",""
"2020598","11.7826","0.0011","11.7826","0.0011","47.755","0.0004","90","","90","","120","","5741.6","0.8","182","","182","","","","","","","","","6","R -3 :H","-R 3","148","","[Tris(3-mesityl-5-methyl-1<i>H</i>-pyrazol-1-yl-\ κ<i>N</i>^2^)hydroborato]thallium(I) monohydrate","","- C39 H48 B N6 O Tl -","- C39 H46 B N6 Tl -","- C234 H276 B6 N36 Tl6 -","6","0.333333","YP3109","Fujisawa, Kiyoshi; Shimizu, Masaya; Szilagyi, Robert K.","Comparison of thallium(I) complexes with mesityl-substituted tris(pyrazolyl)hydroborate ligands, [Tl{HB(3-Ms-5-Mepz)~3~}] and [Tl{HB(3-Ms-5-Mepz)~2~(3-Me-5-Mspz)}]","Acta Crystallographica Section C","2016","72","11","786","790","10.1107/S2053229615023797","","","0.71075","MoKα","","0.0222","0.0209","","","0.0595","0.0598","","","","","","1.171","","","","has coordinates,has Fobs","188934","2020-10-21","18:00:00",""
"2020599","11.5262","0.0013","11.8485","0.0015","14.523","0.002","108.735","0.004","100.095","0.003","94.933","0.009","1827.5","0.4","178","","178","","","","","","","","","5","P -1","-P 1","2","","[Bis(3-mesityl-5-methyl-1<i>H</i>-pyrazol-1-yl-κ<i>N</i>^2^)(5-mesityl-3-methyl-1<i>H</i>-pyrazol-1-yl-κ<i>N</i>^2^)hydroborato]thallium(I)","","- C39 H46 B N6 Tl -","- C39 H46 B N6 Tl -","- C78 H92 B2 N12 Tl2 -","2","1","YP3109","Fujisawa, Kiyoshi; Shimizu, Masaya; Szilagyi, Robert K.","Comparison of thallium(I) complexes with mesityl-substituted tris(pyrazolyl)hydroborate ligands, [Tl{HB(3-Ms-5-Mepz)~3~}] and [Tl{HB(3-Ms-5-Mepz)~2~(3-Me-5-Mspz)}]","Acta Crystallographica Section C","2016","72","11","786","790","10.1107/S2053229615023797","","","0.71075","MoKα","","0.0158","0.0146","","","0.038","0.0383","","","","","","1.119","","","","has coordinates,has Fobs","188934","2020-10-21","18:00:00",""
"2020600","12.833","0.005","21.295","0.008","22.787","0.009","69.299","0.006","74.191","0.006","89.546","0.006","5578","4","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","[Hydrotris(3,4-dibromo-5-phenyl-pyrazolyl)borato-κ<i>N</i>^2^][hydrotris(3-neopentylpyrazolyl-κ<i>N</i>^2^)lborato]nickel(II)","","- C51 H56 B2 Br6 N12 Ni -","- C51 H56 B2 Br6 N12 Ni -","- C204 H224 B8 Br24 N48 Ni4 -","4","2","FO3001","Trofimenko, Swiatoslaw; Jové, Fernando; Yap, Glenn P. A.","An unusual bis-heteroscorpionate complex with anomalous ligands: [tris(3,4-dibromo-5-phenylpyrazolyl)hydroborato][hydrotris(3-neopentylpyrazolyl)borato]nickel(II)","Acta Crystallographica Section C","2016","72","11","802","805","10.1107/S2053229616001376","","","0.71073","MoKα","","0.0663","0.0402","","","0.086","0.0945","","","","","","1.014","","","","has coordinates,has Fobs","188935","2020-10-21","18:00:00",""
"2020601","9.9552","0.0006","13.1693","0.0008","24.7993","0.0014","90","","91.463","0.002","90","","3250.2","0.3","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","[Tetrakis(3-phenyl-1<i>H</i>-pyrazol-1-yl)borato]thallium(I)","","- C36 H28 B N8 Tl -","- C36 H28 B N8 Tl -","- C144 H112 B4 N32 Tl4 -","4","1","YP3117","Infantes, Lourdes; Claramunt, Rosa M.; Sanz, Dionisia; Alkorta, Ibon; Elguero, José","The structures of two scorpionates: thallium tetrakis(3-phenyl-1<i>H</i>-pyrazol-1-yl)borate and potassium tetrakis(3-cyclopropyl-1<i>H</i>-pyrazol-1-yl)borate","Acta Crystallographica Section C","2016","72","11","819","825","10.1107/S2053229616007385","","","1.54178","CuKα","","0.0348","0.0285","","","0.0688","0.0721","","","","","","1.07","","","","has coordinates,has disorder,has Fobs","188936","2020-10-21","18:00:00",""
"2020602","19.547","0.008","8.391","0.003","17.153","0.008","90","","117.111","0.012","90","","2504.3","1.8","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","<i>catena</i>-Poly[potassium-[μ~2~-tetrakis(3-cyclopropyl-1<i>H</i>-pyrazol-1-yl)borato]]","","- C24 H28 B K N8 -","- C24 H28 B K N8 -","- C96 H112 B4 K4 N32 -","4","0.5","YP3117","Infantes, Lourdes; Claramunt, Rosa M.; Sanz, Dionisia; Alkorta, Ibon; Elguero, José","The structures of two scorpionates: thallium tetrakis(3-phenyl-1<i>H</i>-pyrazol-1-yl)borate and potassium tetrakis(3-cyclopropyl-1<i>H</i>-pyrazol-1-yl)borate","Acta Crystallographica Section C","2016","72","11","819","825","10.1107/S2053229616007385","","","1.54178","CuKα","","0.0944","0.051","","","0.1126","0.1353","","","","","","1.032","","","","has coordinates,has Fobs","188936","2020-10-21","18:00:00",""
"2020603","8.9547","0.0007","11.3267","0.0008","11.8011","0.0009","102.919","0.001","103.564","0.001","96.901","0.001","1115.14","0.15","100","2","99.96","","","","","","","","","6","P -1","-P 1","2","","(Acetonitrile-κ<i>N</i>){tris[5-methyl-3-(trifluoromethyl)pyrazol-1-yl-κ<i>N</i>^2^]hydroborato}silver(I)","","- C17 H16 Ag B F9 N7 -","- C17 H16 Ag B F9 N7 -","- C34 H32 Ag2 B2 F18 N14 -","2","1","YP3116","Dias, H. V. Rasika; Kulkarni, Naveen","The silver(I) complex [HB{3-(CF~3~),5-(CH~3~)Pz}~3~]AgNCCH~3~ supported by a partially fluorinated scorpionate ligand","Acta Crystallographica Section C","2016","72","11","853","856","10.1107/S2053229616006744","","","0.71073","MoKα","","0.0214","0.021","","","0.0545","0.0548","","","","","","1.059","","","","has coordinates,has Fobs","188937","2020-10-21","18:00:00",""
"2020604","20.4544","0.0006","11.9881","0.0004","21.4952","0.0007","90","","93.493","0.001","90","","5261","0.3","150","2","150","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","<i>catena</i>-Poly[[silver(I)-(μ-5-{[tris(pyrazol-1-yl)methoxy]methyl-κ^2^<i>N</i>,<i>N</i>'}-2,2'-bipyridine-κ^2^<i>N</i>,<i>N</i>')] diethyl ether hemisolvate]","","- C24 H25 Ag B F4 N8 O1.5 -","- C24 H25 Ag B F4 N8 O1.5 -","- C192 H200 Ag8 B8 F32 N64 O12 -","8","1","YP3124","Semeniuc, Radu F.; Reger, Daniel L.; Smith, Mark D.","Silver(I) and rhenium(I) metal complexes of a 2,2'-bipyridine-functionalized third-generation tris(pyrazolyl)methane ligand","Acta Crystallographica Section C","2016","72","11","826","831","10.1107/S2053229616012171","","","0.71073","MoKα","","0.0596","0.048","","","0.1209","0.1296","","","","","","1.043","","","","has coordinates,has disorder,has Fobs","188940","2020-10-21","18:00:00",""
"2020605","8.8322","0.0005","11.4361","0.0007","14.4346","0.0009","67.708","0.001","73.552","0.001","89.664","0.001","1285.31","0.13","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","Bromidotricarbonyl(5-{[tris(pyrazol-1-yl)methoxy]methyl}-2,2'-bipyridine-κ^2^<i>N</i>,<i>N</i>')rhenium(I)","","- C25 H20 Br N8 O4 Re -","- C25 H20 Br N8 O4 Re -","- C50 H40 Br2 N16 O8 Re2 -","2","1","","Semeniuc, Radu F.; Reger, Daniel L.; Smith, Mark D.","Silver(I) and rhenium(I) metal complexes of a 2,2'-bipyridine-functionalized third-generation tris(pyrazolyl)methane ligand","Acta Crystallographica Section C","2016","72","11","826","831","10.1107/S2053229616012171","","","0.71073","MoKα","","0.0519","0.0403","","","0.0806","0.0852","","","","","","0.966","","","","has coordinates,has Fobs","188940","2020-10-21","18:00:00",""
"2020606","13.175","0.007","13.672","0.007","19.571","0.01","77.203","0.007","80.89","0.007","89.522","0.007","3393","3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","(μ-3,4-Diacetylhexa-2,4-diene-2,5-diolato-κ^4^<i>O</i>^2^,<i>O</i>^3^:<i>O</i>^4^,<i>O</i>^5^)bis{[tris(3-cyclohexyl-1<i>H</i>-pyrazol-1-yl-κ<i>N</i>^2^)borato]cobalt(II)} acetonitrile disolvate","","- C68 H98 B2 Co2 N14 O4 -","- C68 H98 B2 Co2 N14 O4 -","- C136 H196 B4 Co4 N28 O8 -","2","1","YP3119","Mikhalyova, Elena A.; Trofimenko, Swiatoslaw; Zeller, Matthias; Addison, Anthony W.; Pavlishchuk, Vitaly V.","New homodinuclear tris(3-alkylpyrazolyl)borate complexes of Co^II^ and Ni^II^ with a tetraacetylethane dianion as a bridging ligand","Acta Crystallographica Section C","2016","72","11","777","785","10.1107/S205322961601398X","","","0.71073","MoKα","","0.1678","0.0826","","","0.1973","0.229","","","","","","1.17","","","","has coordinates,has disorder,has Fobs","188941","2020-10-21","18:00:00",""
"2020607","19.63","0.003","61.387","0.01","10.422","0.0017","90","","90","","90","","12559","3","100","2","100","2","","","","","","","","6","F d d 2","F 2 -2d","43","","(μ-3,4-Diacetylhexa-2,4-diene-2,5-diolato-κ^4^<i>O</i>^2^,<i>O</i>^3^:<i>O</i>^4^,<i>O</i>^5^)bis{[tris(3-neopentyl-1<i>H</i>-pyrazol-1-yl-κ<i>N</i>^2^)borato]nickel(II)}","","- C58 H92 B2 N12 Ni2 O4 -","- C58 H92 B2 N12 Ni2 O4 -","- C464 H736 B16 N96 Ni16 O32 -","8","0.5","YP3119","Mikhalyova, Elena A.; Trofimenko, Swiatoslaw; Zeller, Matthias; Addison, Anthony W.; Pavlishchuk, Vitaly V.","New homodinuclear tris(3-alkylpyrazolyl)borate complexes of Co^II^ and Ni^II^ with a tetraacetylethane dianion as a bridging ligand","Acta Crystallographica Section C","2016","72","11","777","785","10.1107/S205322961601398X","","","0.71073","MoKα","","0.0324","0.0297","","","0.0695","0.0714","","","","","","1.024","","","","has coordinates,has Fobs","188941","2020-10-21","18:00:00",""
"2020608","8.4544","0.0008","15.0084","0.0014","10.6904","0.001","90","","95.975","0.002","90","","1349.1","0.2","100","0.5","100","0.5","","","","","","","","6","P 1 21 1","P 2yb","4","jonyj35","(Pentanenitrile-κ<i>N</i>)(trimethylphosphane-κ<i>P</i>)[tris(3,5-dimethylimidazol-1-yl)hydroborato-κ^2^<i>N</i>^2^,<i>N</i>^2'^]rhodium(I)","","- C23 H40 B N7 P Rh -","- C23 H40 B N7 P Rh -","- C46 H80 B2 N14 P2 Rh2 -","2","1","YP3115","Jiao, Yunzhe; Brennessel, William W.; Jones, William D.","Nitrile coordination to rhodium does not lead to C—H activation","Acta Crystallographica Section C","2016","72","11","850","852","10.1107/S2053229616006859","","","0.71073","MoKα","","0.0908","0.053","","","0.0829","0.0964","","","","","","0.991","","","","has coordinates,has Fobs","188942","2020-10-21","18:00:00",""
"2020609","11.69","0.003","11.844","0.004","25.618","0.006","91.698","0.006","93.037","0.004","119.345","0.003","3081.2","1.5","200","2","200","2","","","","","","","","6","P -1","-P 1","2","","(2,6-Dimethylphenolato-κ<i>O</i>)[hydrotris(3-phenylpyrazolyl-κ<i>N</i>^2^)borato]nickel(II)","","- C35 H31 B N6 Ni O -","- C35 H31 B N6 Ni O -","- C140 H124 B4 N24 Ni4 O4 -","4","2","FO3002","Green, William L.; Sirianni, Eric R.; Yap, Glenn P. A.; Riordan, Charles G.","Steric and electronic factor comparisons in hydrotris(3-phenylpyrazolyl)borate nickel(II) aryloxides","Acta Crystallographica Section C","2016","72","11","791","796","10.1107/S2053229616001789","","","0.71073","MoKα","","0.0688","0.0446","","","0.1032","0.1147","","","","","","1.026","","","","has coordinates,has Fobs","188944","2020-10-21","18:00:00",""
"2020610","8.428","0.003","13.516","0.007","15.064","0.007","99.293","0.015","102.679","0.016","90.9","0.016","1649.8","1.3","200","2","200","2","","","","","","","","6","P -1","-P 1","2","","(4-<i>tert</i>-Butylphenolato-κ<i>O</i>)[hydrotris(3-phenylpyrazolyl-κ<i>N</i>^2^)borato]nickel(II)","","- C37 H35 B N6 Ni O -","- C37 H35 B N6 Ni O -","- C74 H70 B2 N12 Ni2 O2 -","2","1","FO3002","Green, William L.; Sirianni, Eric R.; Yap, Glenn P. A.; Riordan, Charles G.","Steric and electronic factor comparisons in hydrotris(3-phenylpyrazolyl)borate nickel(II) aryloxides","Acta Crystallographica Section C","2016","72","11","791","796","10.1107/S2053229616001789","","","0.71073","MoKα","","0.1053","0.0605","","","0.1309","0.1544","","","","","","1.007","","","","has coordinates,has disorder,has Fobs","188944","2020-10-21","18:00:00",""
"2020611","10.868","0.004","11.985","0.004","28.705","0.008","90","","90","","90","","3739","2","200","2","200","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","[Hydrotris(3-phenylpyrazolyl-κ<i>N</i>^2^)borato](phenolato-κ<i>O</i>)(tetrahydrofuran-κ<i>O</i>)nickel(II) tetrahydrofuran monosolvate","","- C41 H43 B N6 Ni O3 -","- C41 H43 B N6 Ni O3 -","- C164 H172 B4 N24 Ni4 O12 -","4","1","FO3002","Green, William L.; Sirianni, Eric R.; Yap, Glenn P. A.; Riordan, Charles G.","Steric and electronic factor comparisons in hydrotris(3-phenylpyrazolyl)borate nickel(II) aryloxides","Acta Crystallographica Section C","2016","72","11","791","796","10.1107/S2053229616001789","","","0.71073","MoKα","","0.0324","0.0308","","","0.0814","0.083","","","","","","1.063","","","","has coordinates,has Fobs","188944","2020-10-21","18:00:00",""
"2020612","11.941","0.002","11.986","0.002","14.034","0.002","80.223","0.002","81.483","0.002","67.81","0.002","1825.1","0.5","200","2","200","2","","","","","","","","6","P -1","-P 1","2","","Chlorido[hydrotris(3-phenylpyrazolyl-κ<i>N</i>^2^)borato](3-phenyl-1<i>H</i>-pyrazole-κ<i>N</i>^2^)nickel(II) chloroform monosolvate","","- C37 H31 B Cl4 N8 Ni -","- C37 H31 B Cl4 N8 Ni -","- C74 H62 B2 Cl8 N16 Ni2 -","2","1","FO3002","Green, William L.; Sirianni, Eric R.; Yap, Glenn P. A.; Riordan, Charles G.","Steric and electronic factor comparisons in hydrotris(3-phenylpyrazolyl)borate nickel(II) aryloxides","Acta Crystallographica Section C","2016","72","11","791","796","10.1107/S2053229616001789","","","0.71073","MoKα","","0.0698","0.0547","","","0.1487","0.1632","","","","","","1.003","","","","has coordinates,has disorder,has Fobs","188944","2020-10-21","18:00:00",""
"2020613","8.505","0.005","13.071","0.008","13.531","0.008","79.484","0.009","78.356","0.006","87.112","0.009","1448.4","1.5","200","2","200","2","","","","","","","","6","P -1","-P 1","2","","[Hydrotris(3-phenylpyrazolyl-κ<i>N</i>^2^)borato](phenolato-κ<i>O</i>)nickel(II)","","- C33 H27 B N6 Ni O -","- C33 H27 B N6 Ni O -","- C66 H54 B2 N12 Ni2 O2 -","2","1","FO3002","Green, William L.; Sirianni, Eric R.; Yap, Glenn P. A.; Riordan, Charles G.","Steric and electronic factor comparisons in hydrotris(3-phenylpyrazolyl)borate nickel(II) aryloxides","Acta Crystallographica Section C","2016","72","11","791","796","10.1107/S2053229616001789","","","0.71073","MoKα","","0.0725","0.0681","","","0.2032","0.2054","","","","","","1.067","","","","has coordinates,has Fobs","188944","2020-10-21","18:00:00",""
"2020614","8.956","0.0011","15.7745","0.0016","28.455","0.003","90","","94.067","0.003","90","","4009.9","0.8","100","","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Tetraphenylphosphonium tris(thiocyanato-κ<i>N</i>)[1,1,1-tris(pyridin-2-yl)ethane-κ^3^<i>N</i>,<i>N</i>',<i>N</i>'']ferrate(II)","","- C44 H35 Fe N6 P S3 -","- C44 H35 Fe N6 P S3 -","- C176 H140 Fe4 N24 P4 S12 -","4","1","YP3112","Ishida, Takayuki; Kanetomo, Takuya; Yamasaki, Masaru","An iron(II) complex tripodally chelated with 1,1,1-tris(pyridin-2-yl)ethane showing room-temperature spin-crossover behaviour","Acta Crystallographica Section C","2016","72","11","797","801","10.1107/S2053229616004174","","","0.71073","MoKα","","0.0748","0.0566","","","0.1441","0.1583","","","","","","1.08","","","","has coordinates,has Fobs","188946","2020-10-21","18:00:00",""
"2020615","9.069","0.002","15.984","0.003","28.82","0.006","90","","93.316","0.018","90","","4170.7","1.5","296","","296","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Tetraphenylphosphonium tris(thiocyanato-κ<i>N</i>)[1,1,1-tris(pyridin-2-yl)ethane-κ^3^<i>N</i>,<i>N</i>',<i>N</i>'']ferrate(II)","","- C44 H35 Fe N6 P S3 -","- C44 H35 Fe N6 P S3 -","- C176 H140 Fe4 N24 P4 S12 -","4","1","YP3112","Ishida, Takayuki; Kanetomo, Takuya; Yamasaki, Masaru","An iron(II) complex tripodally chelated with 1,1,1-tris(pyridin-2-yl)ethane showing room-temperature spin-crossover behaviour","Acta Crystallographica Section C","2016","72","11","797","801","10.1107/S2053229616004174","","","0.71073","MoKα","","0.1186","0.0338","","","0.0444","0.0507","","","","","","0.627","","","","has coordinates,has Fobs","188946","2020-10-21","18:00:00",""
"2020616","9.669","0.003","14.332","0.004","23.263","0.006","90","","97.809","0.005","90","","3193.8","1.6","200","2","200","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","[Ferrocenyltris(3-<i>tert</i>-butylpyrazol-1-yl-κ<i>N</i>^2^)borato]thallium(I)","","- C31 H42 B Fe N6 Tl -","- C31 H42 B Fe N6 Tl -","- C124 H168 B4 Fe4 N24 Tl4 -","4","1","FO3003","Sirianni, Eric R.; Cummins, Daniel C.; Yap, Glenn P. A.; Theopold, Klaus H.","FcTp(<i>R</i>) (<i>R</i> = ^<i>i^</i>Pr or ^<i>t^</i>Bu): third-generation ferrocenyl scorpionates","Acta Crystallographica Section C","2016","72","11","813","818","10.1107/S205322961601202X","","","0.71073","MoKα","","0.0477","0.0339","","","0.0701","0.0773","","","","","","1.016","","","","has coordinates,has Fobs","188948","2020-10-21","18:00:00",""
"2020617","21.4659","0.0009","15.7392","0.0007","17.27","0.0007","90","","97.87","0.002","90","","5779.8","0.4","200","2","200","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","[Ferrocenyltris(3-isopropylpyrazol-1-yl-κ<i>N</i>^2^)borato]thallium(I)","","- C28 H36 B Fe N6 Tl -","- C28 H36 B Fe N6 Tl -","- C224 H288 B8 Fe8 N48 Tl8 -","8","1","FO3003","Sirianni, Eric R.; Cummins, Daniel C.; Yap, Glenn P. A.; Theopold, Klaus H.","FcTp(<i>R</i>) (<i>R</i> = ^<i>i^</i>Pr or ^<i>t^</i>Bu): third-generation ferrocenyl scorpionates","Acta Crystallographica Section C","2016","72","11","813","818","10.1107/S205322961601202X","","","1.54178","CuKα","","0.0833","0.0608","","","0.1575","0.177","","","","","","1.041","","","","has coordinates,has Fobs","188948","2020-10-21","18:00:00",""
"2020618","10.3229","0.0019","18.362","0.003","16.642","0.003","90","","98.595","0.004","90","","3119","1","200","2","200","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","Chlorido[ferrocenyltris(3-<i>tert</i>-butylpyrazol-1-yl-κ<i>N</i>^2^)borato]cobalt(II)","","- C31 H42 B Cl Co Fe N6 -","- C31 H42 B Cl Co Fe N6 -","- C124 H168 B4 Cl4 Co4 Fe4 N24 -","4","1","FO3003","Sirianni, Eric R.; Cummins, Daniel C.; Yap, Glenn P. A.; Theopold, Klaus H.","FcTp(<i>R</i>) (<i>R</i> = ^<i>i^</i>Pr or ^<i>t^</i>Bu): third-generation ferrocenyl scorpionates","Acta Crystallographica Section C","2016","72","11","813","818","10.1107/S205322961601202X","","","0.71073","MoKα","","0.078","0.0488","","","0.1012","0.1161","","","","","","1.04","","","","has coordinates,has Fobs","188948","2020-10-21","18:00:00",""
"2020619","10.015","0.006","27.481","0.007","15.483","","90","0.019","92.66","","90","","4257","3","200","2","200","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","[Ferrocenyltris(3-<i>tert</i>-butylpyrazol-1-yl-κ<i>N</i>^2^)borato]iodidocobalt(II) benzene disolvate","","- C43 H54 B Co Fe I N6 -","- C43 H54 B Co Fe I N6 -","- C172 H216 B4 Co4 Fe4 I4 N24 -","4","1","FO3003","Sirianni, Eric R.; Cummins, Daniel C.; Yap, Glenn P. A.; Theopold, Klaus H.","FcTp(<i>R</i>) (<i>R</i> = ^<i>i^</i>Pr or ^<i>t^</i>Bu): third-generation ferrocenyl scorpionates","Acta Crystallographica Section C","2016","72","11","813","818","10.1107/S205322961601202X","","","0.71073","MoKα","","0.0362","0.0288","","","0.0672","0.0711","","","","","","1.031","","","","has coordinates,has disorder","188948","2020-10-21","18:00:00",""
"2020620","12.7937","0.0008","16.0612","0.001","14.7531","0.0009","90","","99.794","0.001","90","","2987.3","0.3","200","2","200","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","[Ferrocenyltris(3-isopropylpyrazol-1-yl-κ<i>N</i>^2^)borato]iodidocobalt(II)","","- C28 H36 B Co Fe I N6 -","- C28 H36 B Co Fe I N6 -","- C112 H144 B4 Co4 Fe4 I4 N24 -","4","1","FO3003","Sirianni, Eric R.; Cummins, Daniel C.; Yap, Glenn P. A.; Theopold, Klaus H.","FcTp(<i>R</i>) (<i>R</i> = ^<i>i^</i>Pr or ^<i>t^</i>Bu): third-generation ferrocenyl scorpionates","Acta Crystallographica Section C","2016","72","11","813","818","10.1107/S205322961601202X","","","0.71073","MoKα","","0.0472","0.0323","","","0.0843","0.0933","","","","","","1.085","","","","has coordinates,has Fobs","188948","2020-10-21","18:00:00",""
"2020621","11.2742","0.001","22.304","0.003","14.4624","0.0003","90","","95.3065","0.0006","90","","3621.1","0.6","293","","293","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Bis[tetrakis(3-methyl-1<i>H</i>-pyrazol-1-yl)borato]samarium(II)","","- C32 H40 B2 N16 Sm -","- C32 H40 B2 N16 Sm -","- C128 H160 B8 N64 Sm4 -","4","1","YP3122","Arikawa, Yasuhiro; Inada, Kei-ichiro; Onishi, Masayoshi","Side-on coordination mode of a pyrazolyl group in the structure of a divalent [Sm{B(3-Mepz)~4~}~2~] complex (3-Mepz is 3-methylpyrazol-1-yl)","Acta Crystallographica Section C","2016","72","11","838","841","10.1107/S2053229616011578","","","0.71069","MoKα","","0.0646","0.051","","","0.1097","0.1156","","","","","","1.138","","","","has coordinates,has Fobs","188949","2020-10-21","18:00:00",""
"2020622","14.761","0.003","11.358","0.002","20.73","0.004","90","","102.13","0.003","90","","3397.9","1.1","125","2","125","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","Dichlorido(η^5^-cyclopentadienyl)[tris(1-<i>tert</i>-butyl-2-sulfanylidene-2,3-dihydro-1<i>H</i>-imidazol-3-yl)borato-κ^3^<i>S</i>,<i>S</i>',<i>H</i>]zirconium(IV) benzene hemisolvate","","- C29 H42 B Cl2 N6 S3 Zr -","- C29 H42 B Cl2 N6 S3 Zr -","- C116 H168 B4 Cl8 N24 S12 Zr4 -","4","1","YP3125","Rong, Yi; Sambade, David; Parkin, Gerard","Molecular structures of tris(1-<i>tert</i>-butyl-2-mercaptoimidazolyl)hydroborate complexes of titanium, zirconium and hafnium","Acta Crystallographica Section C","2016","72","11","806","812","10.1107/S2053229616008925","","","0.71073","MoKα","","0.1456","0.058","","","0.0855","0.1062","","","","","","1.021","","","","has coordinates","188952","2020-10-21","18:00:00",""
"2020623","14.72","0.007","11.327","0.005","20.422","0.01","90","","102.593","0.007","90","","3323","3","150","2","150","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","Dichlorido(η^5^-cyclopentadienyl)[tris(1-<i>tert</i>-butyl-2-sulfanylidene-2,3-dihydro-1<i>H</i>-imidazol-3-yl)borato-κ^3^<i>S</i>,<i>S</i>',<i>H</i>]titanium(IV) benzene hemisolvate","","- C29 H42 B Cl2 N6 S3 Ti -","- C29 H42 B Cl2 N6 S3 Ti -","- C116 H168 B4 Cl8 N24 S12 Ti4 -","4","1","YP3125","Rong, Yi; Sambade, David; Parkin, Gerard","Molecular structures of tris(1-<i>tert</i>-butyl-2-mercaptoimidazolyl)hydroborate complexes of titanium, zirconium and hafnium","Acta Crystallographica Section C","2016","72","11","806","812","10.1107/S2053229616008925","","","0.71073","MoKα","","0.1719","0.0496","","","0.0763","0.0939","","","","","","0.678","","","","has coordinates,has disorder","188952","2020-10-21","18:00:00",""
"2020624","10.202","0.003","18.21","0.006","13.356","0.004","90","","90.814","0.005","90","","2481","1.3","150","2","150","2","","","","","","","","7","P 1 21 1","P 2yb","4","","[Bis(1-<i>tert</i>-butyl-2-sulfanylidene-2,3-dihydro-1<i>H</i>-imidazol-3-yl)borato-κ^3^<i>S</i>,<i>S</i>',<i>H</i>]dichlorido(η^5^-cyclopentadienyl)zirconium(IV)","","- C19 H29 B Cl2 N4 S2 Zr -","- C19 H29 B Cl2 N4 S2 Zr -","- C76 H116 B4 Cl8 N16 S8 Zr4 -","4","2","YP3125","Rong, Yi; Sambade, David; Parkin, Gerard","Molecular structures of tris(1-<i>tert</i>-butyl-2-mercaptoimidazolyl)hydroborate complexes of titanium, zirconium and hafnium","Acta Crystallographica Section C","2016","72","11","806","812","10.1107/S2053229616008925","","","0.71073","MoKα","","0.0892","0.0558","","","0.1144","0.1291","","","","","","1.001","","","","has coordinates","188952","2020-10-21","18:00:00",""
"2020625","10.5741","0.0017","10.7222","0.0017","14.246","0.004","93.93","0.003","92.094","0.003","118.274","0.002","1414.7","0.5","125","2","125","2","","","","","","","","6","P -1","-P 1","2","","(1-<i>tert</i>-butyl-2,3-dihydro-1<i>H</i>-imidazole-2-thione-κ<i>S</i>)(1-<i>tert</i>-butyl-2-sulfanylidene-1<i>H</i>-imidazol-3-ido-κ^2^<i>N</i>^3^,<i>S</i>)dichlorido(η^5^-cyclopentadienyl)zirconium(IV) benzene monosolvate","","- C25 H34 Cl2 N4 S2 Zr -","- C25 H34 Cl2 N4 S2 Zr -","- C50 H68 Cl4 N8 S4 Zr2 -","2","1","YP3125","Rong, Yi; Sambade, David; Parkin, Gerard","Molecular structures of tris(1-<i>tert</i>-butyl-2-mercaptoimidazolyl)hydroborate complexes of titanium, zirconium and hafnium","Acta Crystallographica Section C","2016","72","11","806","812","10.1107/S2053229616008925","","","0.71073","MoKα","","0.0941","0.049","","","0.0855","0.0978","","","","","","1","","","","has coordinates","188952","2020-10-21","18:00:00",""
"2020626","23.1441","0.0013","23.1441","0.0013","23.1441","0.0013","90","","90","","90","","12397.1","1.2","150","2","150","2","","","","","","","","6","P a -3","-P 2ac 2ab 3","205","","Tribenzyl[tris(1-<i>tert</i>-butyl-2-sulfanylidene-2,3-dihydro-1<i>H</i>-imidazol-3-yl)borato-κ^3^<i>S</i>,<i>S</i>',<i>S</i>'']hafnium(IV) benzene tetrasolvate","","- C66 H79 B Hf N6 S3 -","- C65.9994 H78.9994 B Hf N6 S3 -","- C527.995 H631.995 B8 Hf8 N48 S24 -","8","0.333333","YP3125","Rong, Yi; Sambade, David; Parkin, Gerard","Molecular structures of tris(1-<i>tert</i>-butyl-2-mercaptoimidazolyl)hydroborate complexes of titanium, zirconium and hafnium","Acta Crystallographica Section C","2016","72","11","806","812","10.1107/S2053229616008925","","","0.71073","MoKα","","0.1233","0.0584","","","0.1745","0.1979","","","","","","1.051","","","","has coordinates,has disorder","188952","2020-10-21","18:00:00",""
"2020627","10.8792","0.0017","13.221","0.002","15.972","0.003","90","","96.899","0.002","90","","2280.7","0.7","113","2","113","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","[Chloro(Phenyltris(oxiazolynyl)borato)nickel(II)]","Ni(Ph-To)Cl","","- C21 H29 B Cl N3 Ni O3 -","- C21 H29 B Cl N3 Ni O3 -","- C84 H116 B4 Cl4 N12 Ni4 O12 -","4","1","","Takayama, Tomoaki; Nakazawa, Jun; Hikichi, Shiro","A pseudotetrahedral nickel(II) complex with a tridentate oxazoline-based scorpionate ligand: chlorido[tris(4,4-dimethyloxazolin-2-yl)phenylborato]nickel(II)","Acta Crystallographica Section C","2016","72","11","842","845","10.1107/S2053229616012183","","","0.71073","MoKα","","0.0291","0.0235","","","0.059","0.0612","","","","","","0.987","","","","has coordinates,has Fobs","188953","2020-10-21","18:00:00",""
"2020628","14.4909","0.0006","16.1418","0.0007","18.2891","0.0008","90","","97.687","0.001","90","","4239.5","0.3","150","2","150","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","<i>catena</i>-Poly[[[[bis[acetonitrilecadmium(II)]-μ-4-1,2,4,5-([2,2,2-tris(1<i>H</i>-pyrazol-1-yl)ethoxy]methyl}benzene] tetrakis(tetrafluoridoborate)]‒diethyl ether‒acetonitrile (1/2/2)],","","- C70 H86 B4 Cd2 F16 N28 O6 -","- C70 H86 B4 Cd2 F16 N28 O6 -","- C140 H172 B8 Cd4 F32 N56 O12 -","2","0.5","YP3121","Semeniuc, Radu F.; Reger, Daniel L.; Smith, Mark D.","A cadmium(II) coordination polymer formed from a third generation tetratopic tris(pyrazolyl)methane ligand","Acta Crystallographica Section C","2016","72","11","832","837","10.1107/S205322961600783X","","","0.71073","MoKα","","0.1128","0.0781","","","0.1646","0.1784","","","","","","1.135","","","","has coordinates,has disorder,has Fobs","188954","2020-10-21","18:00:00",""
"2020629","17.0187","0.0005","9.7329","0.0002","25.7877","0.0008","90","","90","","90","","4271.5","0.2","150","0.1","150","0.1","","","","","","","","5","P n a 21","P 2c -2n","33","","Tris(3,4,5-tribromopyrazol-1-yl)phosphine oxide","","- C9 Br9 N6 O P -","- C9 Br9 N6 O P -","- C72 Br72 N48 O8 P8 -","8","2","YP3131","Nicolas, Emmanuel; Cheisson, Thibault; de Jong, G. Bas; Tazelaar, Cornelis G. J.; Slootweg, J. Chris","A new synthetic route to the electron-deficient ligand tris(3,4,5-tribromopyrazol-1-yl)phosphine oxide","Acta Crystallographica Section C","2016","72","11","846","849","10.1107/S2053229616015035","","","0.71069","MoKα","","0.093","0.07","","","0.1488","0.1655","","","","","","1.109","","","","has coordinates,has Fobs","188956","2020-10-21","18:00:00",""
"2020630","6.9686","0.0001","11.8758","0.0002","15.1008","0.0002","98.249","0.002","95.337","0.002","102.467","0.002","1197.63","0.03","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","Chlorido(1,3-dibenzyl-4,5-diphenylimidazol-2-ylidene)gold","","- C29 H24 Au Cl N2 -","- C29 H24 Au Cl N2 -","- C58 H48 Au2 Cl2 N4 -","2","1","FA3393","Tacke, Matthias; Dada, Oyinlola; O'Beirne, Cillian; Zhu, Xiangming; Müller-Bunz, Helge","The non-isomorphous crystal structures of NHC—Au—Cl and NHC—Au—Br (NHC is 1,3-dibenzyl-4,5-diphenylimidazol-2-ylidene)","Acta Crystallographica Section C","2016","72","11","857","860","10.1107/S2053229616015205","","","1.54184","CuKα","","0.0231","0.02","","","0.0469","0.0478","","","","","","1.074","","","","has coordinates,has Fobs","188957","2020-10-21","18:00:00",""
"2020631","7.0973","0.0002","15.3919","0.0003","45.4224","0.0006","87.896","0.002","87.876","0.002","89.871","0.002","4955.23","0.18","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","Bromido(1,3-dibenzyl-4,5-diphenylimidazol-2-ylidene)gold","","- C29 H24 Au Br N2 -","- C29 H24 Au Br N2 -","- C232 H192 Au8 Br8 N16 -","8","4","FA3393","Tacke, Matthias; Dada, Oyinlola; O'Beirne, Cillian; Zhu, Xiangming; Müller-Bunz, Helge","The non-isomorphous crystal structures of NHC—Au—Cl and NHC—Au—Br (NHC is 1,3-dibenzyl-4,5-diphenylimidazol-2-ylidene)","Acta Crystallographica Section C","2016","72","11","857","860","10.1107/S2053229616015205","","","1.54184","CuKα","","0.0791","0.0727","","","0.1478","0.1497","","","","","","1.303","","","","has coordinates,has Fobs","188957","2020-10-21","18:00:00",""
"2020632","8.234","0.004","11.872","0.009","14.212","0.007","104.37","0.03","94.85","0.1","96.85","0.08","1326.8","1.4","80","2","80","2","","","","","","","","5","P -1","-P 1","2","","5,10,15,20-tetrakis(3-cyanophenyl)porphyrinatocopper(II) nitrobenzene trisolvate","","- C66 H39 Cu N11 O6 -","- C66 H39 Cu N11 O6 -","- C66 H39 Cu N11 O6 -","1","0.5","YP3128","Seidel, Rüdiger W.; Goddard, Richard; Mayer-Gall, Thomas; Oppel, Iris M.","A synchrotron study of [5,10,15,20-tetrakis(3-cyanophenyl)porphyrinato-κ^4^<i>N</i>^5^,<i>N</i>^10^,<i>N</i>^15^,<i>N</i>^20^]copper(II) nitrobenzene trisolvate at 80K","Acta Crystallographica Section C","2016","72","11","861","866","10.1107/S2053229616015515","","","0.56305","synchrotron","","0.0529","0.049","","","0.1273","0.1297","","","","","","1.05","","","","has coordinates,has disorder,has Fobs","188939","2020-10-21","18:00:00",""
"2020633","7.9688","0.0005","12.5553","0.0008","32.4903","0.0018","90","","90","","90","","3250.7","0.3","200","2","200","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","5,6-Dimethyl-2-(pyridin-2-yl)-1-[(pyridin-2-yl)methyl]-1<i>H</i>-benzimidazole","","- C20 H18 N4 -","- C20 H18 N4 -","- C160 H144 N32 -","8","1","YP3132","Geiger, David K.; DeStefano, Matthew R.","Conformational differences and intermolecular C—H···N interactions in three polymorphs of a bis(pyridinyl)-substituted benzimidazole","Acta Crystallographica Section C","2016","72","11","867","874","10.1107/S2053229616015837","","","0.71073","MoKa","","0.0574","0.0507","","","0.1341","0.1385","","","","","","1.102","","","","has coordinates,has Fobs","188945","2020-10-21","18:00:00",""
"2020634","6.192","0.0018","8.214","0.003","16.488","0.005","85.335","0.009","85.257","0.009","85.774","0.009","831.1","0.5","200","2","200","2","","","","","","","","3","P -1","-P 1","2","","5,6-Dimethyl-2-(pyridin-2-yl)-1-[(pyridin-2-yl)methyl]-1<i>H</i>-benzimidazole","","- C20 H18 N4 -","- C20 H18 N4 -","- C40 H36 N8 -","2","1","YP3132","Geiger, David K.; DeStefano, Matthew R.","Conformational differences and intermolecular C—H···N interactions in three polymorphs of a bis(pyridinyl)-substituted benzimidazole","Acta Crystallographica Section C","2016","72","11","867","874","10.1107/S2053229616015837","","","0.71073","MoKa","","0.0905","0.061","","","0.1671","0.1964","","","","","","1.062","","","","has coordinates,has Fobs","188945","2020-10-21","18:00:00",""
"2020637","8.0598","0.0007","12.3474","0.0013","13.4484","0.001","100.996","0.007","98.101","0.007","103.659","0.008","1252.1","0.2","294","2","294","2","","","","","","","","6","P -1","-P 1","2","","3,5-Diamino-6-(2,3-dichlorophenyl)-1,2,4-triazin-2-ium 2-[(2-carboxyphenyl)disulfanyl]benzoate monohydrate","","- C23 H19 Cl2 N5 O5 S2 -","- C23 H19 Cl2 N5 O5 S2 -","- C46 H38 Cl4 N10 O10 S4 -","2","1","","Freire, Eleonora; Polla, Griselda; Baggio, Ricardo","Hydrogen-bonding synthons in lamotrigine salts: 3,5-diamino-6-(2,3-dichlorophenyl)-1,2,4-triazin-2-ium 2-[(2-carboxyphenyl)disulfanyl]benzoate in its monohydrate and anhydrous forms","Acta Crystallographica Section C","2016","72","11","910","916","10.1107/S2053229616016090","","","0.71073","MoKα","","0.0992","0.0574","","","0.138","0.1662","","","","","","1.002","","","","has coordinates,has disorder,has Fobs","194474","2020-10-21","18:00:00",""
"2020638","8.5368","0.0004","12.31","0.0008","12.9348","0.0008","64.689","0.006","86.474","0.005","77.23","0.005","1197.57","0.14","294","2","294","2","","","","","","","","6","P -1","-P 1","2","","3,5-Diamino-6-(2,3-dichlorophenyl)-1,2,4-triazin-2-ium 2-[(2-carboxyphenyl)disulfanyl]benzoate","","- C23 H17 Cl2 N5 O4 S2 -","- C23 H17 Cl2 N5 O4 S2 -","- C46 H34 Cl4 N10 O8 S4 -","2","1","","Freire, Eleonora; Polla, Griselda; Baggio, Ricardo","Hydrogen-bonding synthons in lamotrigine salts: 3,5-diamino-6-(2,3-dichlorophenyl)-1,2,4-triazin-2-ium 2-[(2-carboxyphenyl)disulfanyl]benzoate in its monohydrate and anhydrous forms","Acta Crystallographica Section C","2016","72","11","910","916","10.1107/S2053229616016090","","","0.71073","MoKα","","0.068","0.0452","","","0.1032","0.1178","","","","","","1.031","","","","has coordinates,has Fobs","188938","2020-10-21","18:00:00",""
"2020639","16.4815","0.0009","24.8758","0.0014","39.975","0.002","90","","90.0317","0.0019","90","","16389.4","1.5","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Ethyl 4-(9<i>H</i>-carbazol-9-yl)benzoate","","- C21 H17 N O2 -","- C21 H17 N O2 -","- C840 H680 N40 O80 -","40","10","YF3109","Lifshits, Liubov M.; Singh, Varun; Zeller, Matthias; Klosterman, Jeremy K.","Ethyl 4-(9<i>H</i>-carbazol-9-yl)benzoate: fivefold superstructure with ten crystallographically independent molecules refined from a twinned crystal","Acta Crystallographica Section C","2016","72","11","901","909","10.1107/S2053229616015825","","","1.54178","CuKα","","0.1052","0.0893","","","0.2265","0.2392","","","","","","1.064","","","","has coordinates,has disorder,has Fobs","188943","2020-10-21","18:00:00",""
"2020640","12.4659","0.0015","14.4336","0.0017","11.849","0.0015","90","","115.366","0.002","90","","1926.4","0.4","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Poly[(μ-benzene-1,2-dicarboxylato-κ^3^<i>O</i>^1^,<i>O</i>^1'^:<i>O</i>^3^){μ-1,2-bis[(1<i>H</i>-imidazol-1-yl)methyl]benzene-κ^2^<i>N</i>^3^:<i>N</i>^3'^}cobalt(II)]","","- C22 H18 Co N4 O4 -","- C22 H18 Co N4 O4 -","- C88 H72 Co4 N16 O16 -","4","1","OV3080","Liu, Ping; Liu, Qiuxia; Zhao, Ning; An, Caixia; Lian, Zhaoxun","Structure and third-order nonlinear optical properties of the two-dimensional Co^II^ coordination polymer [Co(1,2-BIB)(PA)]~<i>n~</i> {1,2-BIB is 1,2-bis[(1<i>H</i>-imidazol-1-yl)methyl]benzene and H~2~PA is phthalic acid}","Acta Crystallographica Section C","2016","72","11","890","894","10.1107/S2053229616015928","","","0.71073","MoKα","","0.0469","0.0332","","","0.0802","0.0868","","","","","","1.024","","","","has coordinates,has Fobs","188947","2020-10-21","18:00:00",""
"2020641","14.7254","0.0003","5.8819","0.0001","21.151","0.0005","90","","99.321","0.001","90","","1807.77","0.06","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","4-<i>O</i>-Benzoyl-2-<i>O</i>-phenoxycarbonyl-<i>myo</i>-inositol 1,3,5-orthoformate","","- C21 H18 O9 -","- C21 H18 O9 -","- C84 H72 O36 -","4","1","LY3039","Tamboli, Majid I.; Krishanaswamy, Shobhana; Gonnade, Rajesh G.; Shashidhar, Mysore S.","Engineering crystals that facilitate the acyl-transfer reaction: insight from a comparison of the crystal structures of <i>my</i>o-inositol-1,3,5-orthoformate-derived benzoates and carbonates","Acta Crystallographica Section C","2016","72","11","875","881","10.1107/S205322961601603X","","","0.71073","MoKα","","0.0442","0.0396","","","0.0985","0.1023","","","","","","1.029","","","","has coordinates,has Fobs","188950","2020-10-21","18:00:00",""
"2020642","14.5888","0.0007","6.044","0.0003","21.5364","0.0012","90","","100.216","0.002","90","","1868.86","0.17","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","4-<i>O</i>-Benzoyl-2-<i>O</i>-phenoxythiocarbonyl-<i>myo</i>-inositol 1,3,5-orthoformate","","- C21 H18 O8 S -","- C21 H18 O8 S -","- C84 H72 O32 S4 -","4","1","","Tamboli, Majid I.; Krishanaswamy, Shobhana; Gonnade, Rajesh G.; Shashidhar, Mysore S.","Engineering crystals that facilitate the acyl-transfer reaction: insight from a comparison of the crystal structures of <i>my</i>o-inositol-1,3,5-orthoformate-derived benzoates and carbonates","Acta Crystallographica Section C","2016","72","11","875","881","10.1107/S205322961601603X","","","0.71073","MoKα","","0.091","0.0559","","","0.1071","0.1158","","","","","","1.044","","","","has coordinates,has Fobs","188950","2020-10-21","18:00:00",""
"2020643","7.835","0.003","8.105","0.003","15.881","0.004","97.03","0.03","90.21","0.03","90.15","0.03","1000.9","0.6","295","","295","","","","","","","","","5","P -1","-P 1","2","","2-Amino-4-methyl-3-nitropyridinium hydrogen sulfate","","- C6 H9 N3 O6 S -","- C6 H9 N3 O6 S -","- C24 H36 N12 O24 S4 -","4","2","KU3189","Bednarchuk, Tamara J.; Kinzhybalo, Vasyl; Pietraszko, Adam","Synthesis and characterization of four organic‒inorganic salts: sulfates of 2-aminopyridinium derivatives","Acta Crystallographica Section C","2016","72","11","882","889","10.1107/S2053229616016004","","","0.71073","MoKα","","0.0832","0.0512","","","0.1169","0.1396","","","","","","1.025","","","","has coordinates,has disorder,has Fobs","188951","2020-10-21","18:00:00",""
"2020644","10.557","0.004","13.632","0.004","12.211","0.004","90","","97.12","0.03","90","","1743.8","1","295","","295","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Bis(2-amino-4-methyl-3-nitropyridinium) sulfate","","- C12 H16 N6 O8 S -","- C12 H16 N6 O8 S -","- C48 H64 N24 O32 S4 -","4","0.5","","Bednarchuk, Tamara J.; Kinzhybalo, Vasyl; Pietraszko, Adam","Synthesis and characterization of four organic‒inorganic salts: sulfates of 2-aminopyridinium derivatives","Acta Crystallographica Section C","2016","72","11","882","889","10.1107/S2053229616016004","","","0.71073","MoKα","","0.0522","0.0408","","","0.1108","0.1203","","","","","","1.071","","","","has coordinates,has Fobs","188951","2020-10-21","18:00:00",""
"2020645","8.029","0.003","10.645","0.004","11.541","0.004","82.95","0.03","87.95","0.03","67.93","0.03","907.1","0.6","295","","295","","","","","","","","","5","P -1","-P 1","2","","2-Amino-3-methylpyridinium hydrogen sulfate","","- C6 H10 N2 O4 S -","- C6 H10 N2 O4 S -","- C24 H40 N8 O16 S4 -","4","2","","Bednarchuk, Tamara J.; Kinzhybalo, Vasyl; Pietraszko, Adam","Synthesis and characterization of four organic‒inorganic salts: sulfates of 2-aminopyridinium derivatives","Acta Crystallographica Section C","2016","72","11","882","889","10.1107/S2053229616016004","","","0.71073","MoKα","","0.0865","0.0482","","","0.1142","0.1386","","","","","","1.016","","","","has coordinates,has Fobs","188951","2020-10-21","18:00:00",""
"2020646","10.909","0.004","10.7","0.004","14.267","0.004","90","","110.34","0.03","90","","1561.5","1","295","","295","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Bis(2-amino-3-methylpyridinium) sulfate monohydrate","","- C12 H20 N4 O5 S -","- C12 H20 N4 O5 S -","- C48 H80 N16 O20 S4 -","4","1","KU3189","Bednarchuk, Tamara J.; Kinzhybalo, Vasyl; Pietraszko, Adam","Synthesis and characterization of four organic‒inorganic salts: sulfates of 2-aminopyridinium derivatives","Acta Crystallographica Section C","2016","72","11","882","889","10.1107/S2053229616016004","","","0.71073","MoKα","","0.0782","0.0452","","","0.0982","0.1155","","","","","","1.031","","","","has coordinates,has Fobs","188951","2020-10-21","18:00:00",""
"2020647","8.8547","0.0006","9.9689","0.0007","12.9721","0.001","97.005","0.001","97.885","0.001","90.929","0.001","1125.14","0.14","223.15","","223.15","","","","","","","","","6","P -1","-P 1","2","","Poly[(ethane-1,2-diol-κ<i>O</i>)(μ-sulfato-κ^2^<i>O</i>:<i>O</i>'){μ~3~-1,3,5-tris[(1<i>H</i>-imidazol-1-yl)methyl]benzene-κ^3^<i>N</i>:<i>N</i>':<i>N</i>''}manganese(II)]","","- C20 H24 Mn N6 O6 S -","- C20 H24 Mn N6 O6 S -","- C40 H48 Mn2 N12 O12 S2 -","2","1","WQ3123","Lu, Xin-Hua; Zhong, Kai-Long","A new three-dimensional manganese(II) coordination polymer based on the 1,3,5-tris[(1<i>H</i>-imidazol-1-yl)methyl]benzene ligand","Acta Crystallographica Section C","2016","72","11","895","900","10.1107/S2053229616015965","","","0.71073","MoKα","","0.0481","0.0368","","","0.0897","0.0962","","","","","","1.028","","","","has coordinates,has disorder,has Fobs","188955","2020-10-21","18:00:00",""
"2020648","11.498","0.002","11.715","0.002","17.071","0.003","90","","90","","90","","2299.4","0.7","293","2","293","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","Bis{1-[(benzotriazol-1-yl)methyl]-1<i>H</i>-imidazole-κ<i>N</i>^3^}dibromidozinc(II)","","- C20 H18 Br2 N10 Zn -","- C20 H18 Br2 N10 Zn -","- C80 H72 Br8 N40 Zn4 -","4","0.5","","Liu, Chun-Li; Wei, Xu; Huang, Qiu-Ying; Meng, Xiang-Ru","Syntheses, structures and properties of two new isostructural zinc(II) complexes based on 1-[(benzotriazol-1-yl)methyl]-1<i>H</i>-imidazole","Acta Crystallographica Section C","2016","72","11","917","922","10.1107/S2053229616016430","","","0.71073","MoKα","","0.0519","0.0416","","","0.0781","0.0822","","","","","","1.124","","","","has coordinates,has Fobs","187709","2020-10-21","18:00:00",""
"2020649","11.729","0.002","11.853","0.002","17.563","0.004","90","","90","","90","","2441.7","0.8","293","2","293","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","Bis{1-[(benzotriazol-1-yl)methyl]-1<i>H</i>-imidazole-κ<i>N</i>^3^}diiodidozinc(II)","","- C20 H18 I2 N10 Zn -","- C20 H18 I2 N10 Zn -","- C80 H72 I8 N40 Zn4 -","4","0.5","","Liu, Chun-Li; Wei, Xu; Huang, Qiu-Ying; Meng, Xiang-Ru","Syntheses, structures and properties of two new isostructural zinc(II) complexes based on 1-[(benzotriazol-1-yl)methyl]-1<i>H</i>-imidazole","Acta Crystallographica Section C","2016","72","11","917","922","10.1107/S2053229616016430","","","0.71073","MoKα","","0.0362","0.0322","","","0.0618","0.0638","","","","","","1.143","","","","has coordinates,has Fobs","187709","2020-10-21","18:00:00",""
"2020650","7.3989","0.0005","24.491","0.0017","7.7126","0.0005","90","","96.022","0.002","90","","1389.86","0.16","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(<i>E</i>)-<i>N</i>-Methyl-<i>N</i>'-(2-nitrobenzylidene)-2-(thiophen-2-yl)acetohydrazide","","- C14 H13 N3 O3 S -","- C14 H13 N3 O3 S -","- C56 H52 N12 O12 S4 -","4","1","HG5478","Cardoso, Laura N. F.; Noguiera, Thais C. M.; Kaiser, Carlos R.; Wardell, James L.; de Souza, Marcus V. N.; Lancaster, Shaun T.; Harrison, William T. A.","Different weak interactions in the crystals of three isomeric (<i>E</i>)-<i>N</i>-methyl-<i>N</i>'-(nitrobenzylidene)-2-(thiophen-2-yl)acetohydrazides","Acta Crystallographica Section E","2016","72","12","1677","1682","10.1107/S2056989016016856","","","0.71073","MoKα","","0.0569","0.0406","","","0.0987","0.1056","","","","","","1.052","","","","has coordinates,has disorder,has Fobs","189974","2020-10-21","18:00:00",""
"2020651","5.6629","0.0004","15.6864","0.0011","15.2842","0.0011","90","","93.38","0.0018","90","","1355.34","0.17","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","(<i>E</i>)-<i>N</i>-Methyl-<i>N</i>'-(3-nitrobenzylidene)-2-(thiophen-2-yl)acetohydrazide","","- C14 H13 N3 O3 S -","- C14 H13 N3 O3 S -","- C56 H52 N12 O12 S4 -","4","1","HG5478","Cardoso, Laura N. F.; Noguiera, Thais C. M.; Kaiser, Carlos R.; Wardell, James L.; de Souza, Marcus V. N.; Lancaster, Shaun T.; Harrison, William T. A.","Different weak interactions in the crystals of three isomeric (<i>E</i>)-<i>N</i>-methyl-<i>N</i>'-(nitrobenzylidene)-2-(thiophen-2-yl)acetohydrazides","Acta Crystallographica Section E","2016","72","12","1677","1682","10.1107/S2056989016016856","","","0.71073","MoKα","","0.0374","0.0335","","","0.0931","0.0955","","","","","","1.08","","","","has coordinates,has Fobs","189974","2020-10-21","18:00:00",""
"2020652","6.1893","0.0004","12.9177","0.0009","17.3828","0.0012","93.995","0.007","90.386","0.006","95.963","0.007","1378.77","0.16","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","(<i>E</i>)-<i>N</i>-Methyl-<i>N</i>'-(4-nitrobenzylidene)-2-(thiophen-2-yl)acetohydrazide","","- C14 H13 N3 O3 S -","- C14 H13 N3 O3 S -","- C56 H52 N12 O12 S4 -","4","2","HG5478","Cardoso, Laura N. F.; Noguiera, Thais C. M.; Kaiser, Carlos R.; Wardell, James L.; de Souza, Marcus V. N.; Lancaster, Shaun T.; Harrison, William T. A.","Different weak interactions in the crystals of three isomeric (<i>E</i>)-<i>N</i>-methyl-<i>N</i>'-(nitrobenzylidene)-2-(thiophen-2-yl)acetohydrazides","Acta Crystallographica Section E","2016","72","12","1677","1682","10.1107/S2056989016016856","","","0.71073","MoKα","","0.0724","0.0575","","","0.1517","0.1657","","","","","","1.099","","","","has coordinates,has disorder,has Fobs","189974","2020-10-21","18:00:00",""
"2020653","12.3897","0.0003","8.794","0.0003","17.1791","0.0006","90","","108.369","0.003","90","","1776.38","0.1","170","2","170","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","4'-(Isoquinolin-4-yl)-2,2':6',2''-terpyridine","","- C24 H16 N4 -","- C24 H16 N4 -","- C96 H64 N16 -","4","1","WQ3124","Granifo, Juan; Arévalo, Beatriz; Gaviño, Rubén; Suárez, Sebastián; Baggio, Ricardo","Structural and theoretical characterization of a new twisted 4'-substituted terpyridine compound: 4'-(isoquinolin-4-yl)-2,2':6',2''-terpyridine","Acta Crystallographica Section C","2016","72","12","932","938","10.1107/S2053229616016533","","","0.71073","MoKα","","0.0663","0.0443","","","0.1056","0.1228","","","","","","1.023","","","","has coordinates,has Fobs","189967","2020-10-21","18:00:00",""
"2020654","10.8873","0.0012","11.4736","0.0012","13.4521","0.0015","87.806","0.003","88.438","0.003","69.247","0.003","1570","0.3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","Bis(3-amino-4-carboxybenzenesulfonato-κ<i>O</i>^1^)diaquabis{<i>N</i>,<i>N</i>'-bis[(pyridin-4-yl)methyl]oxamide-κ<i>N</i>}cadmium(II)‒<i>N</i>,<i>N</i>'-bis[(pyridin-4-yl)methyl]oxamide‒water (1/1/4)","","- C56 H66 Cd N14 O22 S2 -","- C56 H66 Cd N14 O22 S2 -","- C56 H66 Cd N14 O22 S2 -","1","0.5","YF3111","Yuan, Gan-Yin; Zhang, Lei; Wang, Meng-Jie; Zhang, Kou-Lin","Synthesis and characterization of a cadmium(II)‒organic supramolecular coordination compound based on the multifunctional 2-amino-5-sulfobenzoic acid ligand","Acta Crystallographica Section C","2016","72","12","939","946","10.1107/S2053229616016326","","","0.71073","MoKα","","0.0377","0.0305","","","0.0754","0.0792","","","","","","0.948","","","","has coordinates,has Fobs","189968","2020-10-21","18:00:00",""
"2020655","36.3376","0.0018","9.6778","0.0003","9.4818","0.0005","90","","93.86","0.004","90","","3326.9","0.3","296","","296","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","Bis{μ-2-[2-(2,6-dichloroanilino)phenyl]acetato-κ^3^<i>O</i>,<i>O</i>':<i>O</i>}bis(μ-2,5-dimethylpyrazine-κ^2^<i>N</i>:<i>N</i>')silver(I)","","- C34 H28 Ag2 Cl4 N4 O4 -","- C34 H28 Ag2 Cl4 N4 O4 -","- C136 H112 Ag8 Cl16 N16 O16 -","4","0.5","LF3042","Hamamci Alisir, Sevim; Dege, Necmi","A new antibacterial silver(I) complex incorporating 2,5-dimethylpyrazine and the anti-inflammatory diclofenac","Acta Crystallographica Section C","2016","72","12","947","951","10.1107/S2053229616017009","","","0.71073","MoKα","","0.0475","0.0331","","","0.078","0.0817","","","","","","0.93","","","","has coordinates,has Fobs","189971","2020-10-21","18:00:00",""
"2020656","8.766","0.0003","12.2655","0.0004","16.4903","0.0006","90","","90","","90","","1773.03","0.11","100","2","100","2","","","","","","","","4","P n a 21","P 2c -2n","33","","11,11,12,12-Tetracyano-2,6-diiodo-9,10-anthraquinodimethane","","- C20 H6 I2 N4 -","- C20 H6 I2 N4 -","- C80 H24 I8 N16 -","4","1","YO3023","Ren, Yi; Lee, Semin; Bertke, Jeffery; Gray, Danielle L.; Moore, Jeffrey S.","Synthesis and structures of 11,11,12,12-tetracyano-2,6-diiodo-9,10-anthraquinodimethane and its 2:1 cocrystals with anthracene, pyrene and tetrathiafulvalene","Acta Crystallographica Section C","2016","72","12","923","931","10.1107/S2053229616016387","","","0.71073","MoKα","","0.0197","0.0189","","","0.0447","0.045","","","","","","1.167","","","","has coordinates,has Fobs","189972","2020-10-21","18:00:00",""
"2020657","13.7727","0.0009","8.5843","0.0005","20.5752","0.0013","90","","105.115","0.003","90","","2348.4","0.3","273","2","273","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","11,11,12,12-Tetracyano-2,6-diiodo-9,10-anthraquinodimethane‒anthracene (2/1)","","- C27 H11 I2 N4 -","- C27 H11 I2 N4 -","- C108 H44 I8 N16 -","4","1","","Ren, Yi; Lee, Semin; Bertke, Jeffery; Gray, Danielle L.; Moore, Jeffrey S.","Synthesis and structures of 11,11,12,12-tetracyano-2,6-diiodo-9,10-anthraquinodimethane and its 2:1 cocrystals with anthracene, pyrene and tetrathiafulvalene","Acta Crystallographica Section C","2016","72","12","923","931","10.1107/S2053229616016387","","","0.71073","MoKα","","0.0357","0.0277","","","0.0687","0.0734","","","","","","1.047","","","","has coordinates,has disorder,has Fobs","189972","2020-10-21","18:00:00",""
"2020658","8.7758","0.0013","12.0214","0.0017","13.3155","0.0019","66.461","0.007","74.489","0.007","74.462","0.007","1220.2","0.3","273","2","273","2","","","","","","","","4","P -1","-P 1","2","","11,11,12,12-Tetracyano-2,6-diiodo-9,10-anthraquinodimethane‒pyrene (2/1)","","- C28 H11 I2 N4 -","- C28 H11 I2 N4 -","- C56 H22 I4 N8 -","2","1","","Ren, Yi; Lee, Semin; Bertke, Jeffery; Gray, Danielle L.; Moore, Jeffrey S.","Synthesis and structures of 11,11,12,12-tetracyano-2,6-diiodo-9,10-anthraquinodimethane and its 2:1 cocrystals with anthracene, pyrene and tetrathiafulvalene","Acta Crystallographica Section C","2016","72","12","923","931","10.1107/S2053229616016387","","","0.71073","MoKα","","0.0404","0.0333","","","0.0804","0.0852","","","","","","1.027","","","","has coordinates,has disorder,has Fobs","189972","2020-10-21","18:00:00",""
"2020659","8.615","0.002","11.631","0.003","12.45","0.003","80.247","0.009","74.695","0.009","70.392","0.008","1129","0.5","273","2","273","2","","","","","","","","5","P -1","-P 1","2","","11,11,12,12-Tetracyano-2,6-diiodo-9,10-anthraquinodimethane‒tetrathiafulvalene (2/1)","","- C46 H16 I4 N8 S4 -","- C46 H16 I4 N8 S4 -","- C46 H16 I4 N8 S4 -","1","0.5","","Ren, Yi; Lee, Semin; Bertke, Jeffery; Gray, Danielle L.; Moore, Jeffrey S.","Synthesis and structures of 11,11,12,12-tetracyano-2,6-diiodo-9,10-anthraquinodimethane and its 2:1 cocrystals with anthracene, pyrene and tetrathiafulvalene","Acta Crystallographica Section C","2016","72","12","923","931","10.1107/S2053229616016387","","","0.71073","MoKα","","0.0442","0.0406","","","0.1012","0.1036","","","","","","1.036","","","","has coordinates,has Fobs","219800","2020-10-21","18:00:00",""
"2020660","14.8441","0.0012","13.2872","0.0011","21.0311","0.0015","90","","105.191","0.003","90","","4003.2","0.5","293","2","293","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","Bis(<i>tert</i>-butylammonium) 2,6-dichlorophenolate 2,4-dichlorophenolate 2,4-dichlorophenol tetrahydrofuran disolvate","","- C34 H50 Cl6 N2 O5 -","- C34 H50 Cl6 N2 O5 -","- C136 H200 Cl24 N8 O20 -","4","0.5","KY3103","Cai, Xiao-Qing; Tian, Bei; Zhang, Jian-Nan; Jin, Zhi-Min","The hydrogen-bonded complex bis(<i>tert</i>-butylammonium) 2,6-dichlorophenolate 2,4-dichlorophenol‒2,4-dichlorophenolate tetrahydrofuran disolvate containing a chiral <i>R</i>~5~^3^(10) hydrogen-bonded ring as a supramolecular synthon","Acta Crystallographica Section C","2016","72","10","720","723","10.1107/S2053229616013577","","","0.71073","MoKα","","0.0735","0.0601","","","0.1577","0.1611","","","","","","0.934","","","","has coordinates,has disorder,has Fobs","187986","2020-10-21","18:00:00",""
"2020661","5.0535","0.0003","5.0535","0.0003","13.2229","0.0006","90","","90","","120","","292.44","0.03","293","2","293","2","","","","","","","","5","P 63/m c m","-P 6c 2","193","","","","- H0.5 K1.5 Mg2 O7 Si2 -","- K1.4712 Mg2 O7 Si2 -","- K2.9424 Mg4 O14 Si4 -","2","0.0833333","","Welch, M. D.; Bindi, L.; Petříček, V.; Plášil, J.","Vacancy pairing and superstructure in the high-pressure silicate K~1.5~Mg~2~Si~2~O~7~H~0.5~: a new potential host for potassium in the deep Earth","Acta Crystallographica Section B","2016","72","6","822","827","10.1107/S2052520616014049","","","0.71073","MoKα","","0.0296","0.0296","","","0.0827","0.0827","","","","","","1.451","","","","has coordinates","188932","2020-10-21","18:00:00",""
"2020662","8.7623","0.001","5.0703","0.0007","13.2505","0.0011","90","","90","","90","","588.69","0.12","293","","293","","","","","","","","","5","C m c m","-C 2c 2","63","","","","- H0 K1.5 Mg2 O7 Si2 -","- K1.5 Mg2 O7 Si2 -","- K6 Mg8 O28 Si8 -","4","0.25","","Welch, M. D.; Bindi, L.; Petříček, V.; Plášil, J.","Vacancy pairing and superstructure in the high-pressure silicate K~1.5~Mg~2~Si~2~O~7~H~0.5~: a new potential host for potassium in the deep Earth","Acta Crystallographica Section B","2016","72","6","822","827","10.1107/S2052520616014049","","x-ray","0.71069","MoKα","","0.146","0.0688","","","0.0826","0.1068","","","","2","2","1.59","","","","has coordinates","188932","2020-10-21","18:00:00",""
"2020663","13.4679","0.0004","7.6319","0.0002","19.1397","0.0006","90","","90.24","0.001","90","","1967.27","0.1","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Trihydroxonium enneabromidodiantimonate(III)","","- Br9 H9 O3 Sb2 -","- Br9 H9 O3 Sb2 -","- Br36 H36 O12 Sb8 -","4","1","YO3024","Chang, Jen-Hui; Doert, Thomas; Ruck, Michael","(H~3~O)~3~Sb~2~Br~9~: the first member of the <i>M</i>~3~<i>E</i>~2~<i>X</i>~9~ structure family with oxonium cations","Acta Crystallographica Section C","2016","72","12","966","970","10.1107/S2053229616017198","","","0.71073","MoKα","","0.0391","0.0256","","","0.0542","0.058","","","","","","1.017","","","","has coordinates,has Fobs","189966","2020-10-21","18:00:00",""
"2020664","9.713","0.002","10.334","0.002","14.717","0.003","96.909","0.006","101.43","0.007","110.323","0.006","1328.7","0.5","296","","296","","","","","","","","","5","P -1","-P 1","2","","Poly[bis(1-benzyl-1<i>H</i>-imidazole-κ<i>N</i>^3^)tris(μ-cyanido-κ^2^<i>C</i>:<i>N</i>)(cyanido-κ<i>C</i>)disilver(I)zinc(II)]","","- C24 H20 Ag2 N8 Zn -","- C24 H20 Ag2 N8 Zn -","- C48 H40 Ag4 N16 Zn2 -","2","1","UK3130","Krinchampa, Pattiya; Chainok, Kittipong; Phengthaisong, Siriporn; Youngme, Sujittra; Kielar, Filip; Wannarit, Nanthawat","A novel one-dimensional double-chain-like Zn^II^ coordination polymer: poly[bis(1-benzyl-1<i>H</i>-imidazole-κ<i>N</i>^3^)tris(μ-cyanido-κ^2^<i>C</i>:<i>N</i>)(cyanido-κ<i>C</i>)disilver(I)zinc(II)]","Acta Crystallographica Section C","2016","72","12","960","965","10.1107/S2053229616017502","","","0.71073","MoKα,0.71073","","0.0342","0.0266","","","0.0689","0.0721","","","","","","1.078","","","","has coordinates,has disorder,has Fobs","189970","2020-10-21","18:00:00",""
"2020665","30.904","0.005","9.3351","0.0016","14.353","0.002","90","","90.222","0.003","90","","4140.7","1.1","100","0.1","100","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Hexamethylenetetramine bis(<i>o</i>-toluic acid)","Hexamethylenetetramine‒2-methylbenzoic acid (1/2)","","- C22 H28 N4 O4 -","- C22 H28 N4 O4 -","- C176 H224 N32 O32 -","8","2","EG3207","Chia, Tze Shyang; Quah, Ching Kheng","Monoclinic-to-orthorhombic phase transition of the hexamethylenetetramine‒2-methylbenzoic acid (1/2) cocrystal with temperature-dependent dynamic molecular disorder","Acta Crystallographica Section C","2016","72","12","971","980","10.1107/S2053229616016831","","","0.71073","MoKα","","0.0681","0.06","","","0.1535","0.16","","","","","","1.048","","","","has coordinates,has Fobs","189969","2020-10-21","18:00:00",""
"2020666","30.92","0.003","9.3363","0.0009","14.3462","0.0014","90","","90.314","0.002","90","","4141.4","0.7","150","0.1","150","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Hexamethylenetetramine bis(<i>o</i>-toluic acid)","Hexamethylenetetramine‒2-methylbenzoic acid (1/2)","","- C22 H28 N4 O4 -","- C22 H28 N4 O4 -","- C176 H224 N32 O32 -","8","2","EG3207","Chia, Tze Shyang; Quah, Ching Kheng","Monoclinic-to-orthorhombic phase transition of the hexamethylenetetramine‒2-methylbenzoic acid (1/2) cocrystal with temperature-dependent dynamic molecular disorder","Acta Crystallographica Section C","2016","72","12","971","980","10.1107/S2053229616016831","","","0.71073","MoKα","","0.086","0.0662","","","0.1766","0.1967","","","","","","1.049","","","","has coordinates,has disorder,has Fobs","189969","2020-10-21","18:00:00",""
"2020667","30.975","0.002","9.3542","0.0007","14.3524","0.001","90","","90.149","0.0014","90","","4158.5","0.5","160","0.1","160","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Hexamethylenetetramine bis(<i>o</i>-toluic acid)","Hexamethylenetetramine‒2-methylbenzoic acid (1/2)","","- C22 H28 N4 O4 -","- C22 H28 N4 O4 -","- C176 H224 N32 O32 -","8","2","EG3207","Chia, Tze Shyang; Quah, Ching Kheng","Monoclinic-to-orthorhombic phase transition of the hexamethylenetetramine‒2-methylbenzoic acid (1/2) cocrystal with temperature-dependent dynamic molecular disorder","Acta Crystallographica Section C","2016","72","12","971","980","10.1107/S2053229616016831","","","0.71073","MoKα","","0.0733","0.054","","","0.1345","0.1508","","","","","","1.039","","","","has coordinates,has disorder,has Fobs","189969","2020-10-21","18:00:00",""
"2020668","30.9991","0.0017","9.3611","0.0005","14.3546","0.0008","90","","90.0906","0.0012","90","","4165.5","0.4","163","0.1","163","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Hexamethylenetetramine bis(<i>o</i>-toluic acid)","Hexamethylenetetramine‒2-methylbenzoic acid (1/2)","","- C22 H28 N4 O4 -","- C22 H28 N4 O4 -","- C176 H224 N32 O32 -","8","2","EG3207","Chia, Tze Shyang; Quah, Ching Kheng","Monoclinic-to-orthorhombic phase transition of the hexamethylenetetramine‒2-methylbenzoic acid (1/2) cocrystal with temperature-dependent dynamic molecular disorder","Acta Crystallographica Section C","2016","72","12","971","980","10.1107/S2053229616016831","","","0.71073","MoKα","","0.0743","0.0529","","","0.1326","0.1502","","","","","","1.019","","","","has coordinates,has disorder,has Fobs","189969","2020-10-21","18:00:00",""
"2020669","31.0071","0.0016","9.3634","0.0005","14.3544","0.0007","90","","90.0656","0.001","90","","4167.5","0.4","164","0.1","164","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Hexamethylenetetramine bis(<i>o</i>-toluic acid)","Hexamethylenetetramine‒2-methylbenzoic acid (1/2)","","- C22 H28 N4 O4 -","- C22 H28 N4 O4 -","- C176 H224 N32 O32 -","8","2","EG3207","Chia, Tze Shyang; Quah, Ching Kheng","Monoclinic-to-orthorhombic phase transition of the hexamethylenetetramine‒2-methylbenzoic acid (1/2) cocrystal with temperature-dependent dynamic molecular disorder","Acta Crystallographica Section C","2016","72","12","971","980","10.1107/S2053229616016831","","","0.71073","MoKα","","0.0775","0.0542","","","0.1284","0.1458","","","","","","1.03","","","","has coordinates,has disorder,has Fobs","189969","2020-10-21","18:00:00",""
"2020670","31.0109","0.0019","9.3651","0.0006","14.3551","0.0009","90","","90","","90","","4169","0.5","165","0.1","165","0.1","","","","","","","","4","P c c n","-P 2ab 2ac","56","Hexamethylenetetramine bis(<i>o</i>-toluic acid)","Hexamethylenetetramine‒2-methylbenzoic acid (1/2)","","- C22 H28 N4 O4 -","- C22 H28 N4 O4 -","- C176 H224 N32 O32 -","8","1","EG3207","Chia, Tze Shyang; Quah, Ching Kheng","Monoclinic-to-orthorhombic phase transition of the hexamethylenetetramine‒2-methylbenzoic acid (1/2) cocrystal with temperature-dependent dynamic molecular disorder","Acta Crystallographica Section C","2016","72","12","971","980","10.1107/S2053229616016831","","","0.71073","MoKα","","0.0812","0.06","","","0.1499","0.1667","","","","","","1.039","","","","has coordinates,has disorder,has Fobs","189969","2020-10-21","18:00:00",""
"2020671","31.0133","0.0015","9.3657","0.0005","14.354","0.0007","90","","90","","90","","4169.3","0.4","166","0.1","166","0.1","","","","","","","","4","P c c n","-P 2ab 2ac","56","Hexamethylenetetramine bis(<i>o</i>-toluic acid)","Hexamethylenetetramine‒2-methylbenzoic acid (1/2)","","- C22 H28 N4 O4 -","- C22 H28 N4 O4 -","- C176 H224 N32 O32 -","8","1","EG3207","Chia, Tze Shyang; Quah, Ching Kheng","Monoclinic-to-orthorhombic phase transition of the hexamethylenetetramine‒2-methylbenzoic acid (1/2) cocrystal with temperature-dependent dynamic molecular disorder","Acta Crystallographica Section C","2016","72","12","971","980","10.1107/S2053229616016831","","","0.71073","MoKα","","0.0775","0.0616","","","0.1447","0.1588","","","","","","1.043","","","","has coordinates,has disorder,has Fobs","189969","2020-10-21","18:00:00",""
"2020672","31.0259","0.0015","9.3706","0.0004","14.3567","0.0007","90","","90","","90","","4173.9","0.3","170","0.1","170","0.1","","","","","","","","4","P c c n","-P 2ab 2ac","56","Hexamethylenetetramine bis(<i>o</i>-toluic acid)","Hexamethylenetetramine‒2-methylbenzoic acid (1/2)","","- C22 H28 N4 O4 -","- C22 H28 N4 O4 -","- C176 H224 N32 O32 -","8","1","EG3207","Chia, Tze Shyang; Quah, Ching Kheng","Monoclinic-to-orthorhombic phase transition of the hexamethylenetetramine‒2-methylbenzoic acid (1/2) cocrystal with temperature-dependent dynamic molecular disorder","Acta Crystallographica Section C","2016","72","12","971","980","10.1107/S2053229616016831","","","0.71073","MoKα","","0.0771","0.0609","","","0.1458","0.1613","","","","","","1.061","","","","has coordinates,has disorder,has Fobs","189969","2020-10-21","18:00:00",""
"2020673","31.3604","0.0017","9.5095","0.0005","14.4182","0.0008","90","","90","","90","","4299.8","0.4","300","0.1","300","0.1","","","","","","","","4","P c c n","-P 2ab 2ac","56","Hexamethylenetetramine bis(<i>o</i>-toluic acid)","Hexamethylenetetramine‒2-methylbenzoic acid (1/2)","","- C22 H28 N4 O4 -","- C22 H28 N4 O4 -","- C176 H224 N32 O32 -","8","1","EG3207","Chia, Tze Shyang; Quah, Ching Kheng","Monoclinic-to-orthorhombic phase transition of the hexamethylenetetramine‒2-methylbenzoic acid (1/2) cocrystal with temperature-dependent dynamic molecular disorder","Acta Crystallographica Section C","2016","72","12","971","980","10.1107/S2053229616016831","","","0.71073","MoKα","","0.0825","0.0693","","","0.198","0.2189","","","","","","1.064","","","","has coordinates,has disorder,has Fobs","189969","2020-10-21","18:00:00",""
"2020674","14.113","0.0002","12.2433","0.0002","18.8793","0.0002","90","","105.68","0.001","90","","3140.75","0.08","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Trimethylazanium 2-[(2-carboxyphenyl)disulfanyl]benzoate 2,2'-(disulfanediyl)dibenzoic acid monosolvate","","- C31 H29 N O8 S4 -","- C31 H29 N O8 S4 -","- C124 H116 N4 O32 S16 -","4","1","YO3027","Yang, Yunxia; Li, Lihua; Zhang, Li; Dong, Wenjing; Ding, Keying","Three polymorphs of an inclusion compound of 2,2'-(disulfanediyl)dibenzoic acid and trimethylamine","Acta Crystallographica Section C","2016","72","12","981","989","10.1107/S2053229616017861","","","0.71073","MoKα","","0.0644","0.0505","","","0.1368","0.148","","","","","","1.04","","","","has coordinates,has Fobs","189973","2020-10-21","18:00:00",""
"2020675","31.7088","0.001","11.5254","0.0003","23.2263","0.0008","90","","123.43","0.003","90","","7083.9","0.5","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Tetrakis(trimethylazanium) bis{2-[(2-carboxyphenyl)disulfanyl]benzoate} 2,2'-(disulfanediyl)dibenzoate 2,2'-(disulfanediyl)dibenzoic acid monosolvate","","- C68 H76 N4 O16 S8 -","- C68 H76 N4 O16 S8 -","- C272 H304 N16 O64 S32 -","4","0.5","","Yang, Yunxia; Li, Lihua; Zhang, Li; Dong, Wenjing; Ding, Keying","Three polymorphs of an inclusion compound of 2,2'-(disulfanediyl)dibenzoic acid and trimethylamine","Acta Crystallographica Section C","2016","72","12","981","989","10.1107/S2053229616017861","","","0.71073","MoKα","","0.0842","0.0564","","","0.1665","0.1977","","","","","","1.282","","","","has coordinates,has Fobs","189973","2020-10-21","18:00:00",""
"2020676","13.5363","0.0004","12.1071","0.0003","22.1248","0.0006","90","","96.532","0.002","90","","3602.39","0.17","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Trimethylazanium 2-[(2-carboxyphenyl)disulfanyl]benzoate","","- C17 H19 N O4 S2 -","- C17 H19 N O4 S2 -","- C136 H152 N8 O32 S16 -","8","1","","Yang, Yunxia; Li, Lihua; Zhang, Li; Dong, Wenjing; Ding, Keying","Three polymorphs of an inclusion compound of 2,2'-(disulfanediyl)dibenzoic acid and trimethylamine","Acta Crystallographica Section C","2016","72","12","981","989","10.1107/S2053229616017861","","","0.71073","MoKα","","0.07","0.0423","","","0.1003","0.1142","","","","","","1.008","","","","has coordinates,has disorder,has Fobs","189973","2020-10-21","18:00:00",""
"2020677","10.4898","0.0011","11.3067","0.0012","12.737","0.0013","76.033","0.001","66.454","0.001","81.772","0.001","1342.1","0.2","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","Bis{μ-2-[(2,6-diisopropylphenyl)iminomethyl]phenolato}-κ^3^<i>N</i>,<i>O</i>:<i>O</i>;κ^3^<i>O</i>:<i>N</i>,<i>O</i>-bis[(hexamethyldisilazido-κ<i>N</i>)magnesium(II)]","","- C50 H80 Mg2 N4 O2 Si4 -","- C50 H80 Mg2 N4 O2 Si4 -","- C50 H80 Mg2 N4 O2 Si4 -","1","0.5","QS3059","Rood, Jeffrey A.; Landis, Ashley M.; Forster, Daniel R.; Goldkamp, Timothy; Oliver, Allen G.","Solvent dependence of the solid-state structures of salicylaldiminate magnesium amide complexes","Acta Crystallographica Section C","2016","72","12","990","996","10.1107/S2053229616018593","","","0.71073","MoKα","","0.035","0.0306","","","0.0997","0.1026","","","","","","1.588","","","","has coordinates,has Fobs","189964","2020-10-21","18:00:00",""
"2020678","31.633","0.004","13.4541","0.0015","17.467","0.003","90","","122.934","0.003","90","","6239.2","1.5","120","2","120","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","{2,4-Di-<i>tert-butyl</i>-6-[(2,6-diisopropylphenyl)iminomethyl]phenolato-κ^2^<i>N</i>,<i>O</i>}bis(pyridine-κ<i>N</i>)magnesium(II) toluene monosolvate","","- C69 H91 Mg N5 O2 -","- C69 H91 Mg N5 O2 -","- C276 H364 Mg4 N20 O8 -","4","0.5","","Rood, Jeffrey A.; Landis, Ashley M.; Forster, Daniel R.; Goldkamp, Timothy; Oliver, Allen G.","Solvent dependence of the solid-state structures of salicylaldiminate magnesium amide complexes","Acta Crystallographica Section C","2016","72","12","990","996","10.1107/S2053229616018593","","","0.71073","MoKα","","0.0835","0.0524","","","0.1176","0.1361","","","","","","1.01","","","","has coordinates,has disorder,has Fobs","189964","2020-10-21","18:00:00",""
"2020679","17.0284","0.001","7.8695","0.0003","22.0555","0.0015","90","","126.512","0.004","90","","2375.5","0.3","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","Furosemide <i>N</i>,<i>N</i>-dimethylacetamide disolvate","4-Chloro-2-[(furan-2-yl)methylamino]-5-sulfamoylbenzoic acid <i>N</i>,<i>N</i>-dimethylacetamide disolvate","","- C20 H29 Cl N4 O7 S -","- C20 H29 Cl N4 O7 S -","- C80 H116 Cl4 N16 O28 S4 -","4","1","SK3641","Beloborodova, Alina A.; Minkov, Vasily S.; Boldyreva, Elena V.","A new solvate of furosemide with dimethylacetamide","Acta Crystallographica Section C","2016","72","12","997","1001","10.1107/S2053229616018398","","","0.71073","MoKα","","0.0605","0.0364","","","0.082","0.0889","","","","","","0.987","","","","has coordinates,has disorder,has Fobs","189965","2020-10-21","18:00:00",""
"2020680","13.861","0.003","10.521","0.002","18.634","0.004","90","","90","","90","","2717.4","1","293","2","293","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","<i>catena</i>-Poly[[[bis{1-[(1<i>H</i>-benzimidazol-2-yl)methyl]-1<i>H</i>-tetrazole-κ<i>N</i>^3^}zinc(II)]-μ-hexane-1,6-dicarboxylato-κ^4^<i>O</i>^1^,<i>O</i>^1'^:<i>O</i>^6^,<i>O</i>^6'^] monohydrate]","","- C24 H26 N12 O5 Zn -","- C24 H26 N12 O5 Zn -","- C96 H104 N48 O20 Zn4 -","4","0.5","","Liu, Chun-Li; Huang, Qiu-Ying; Meng, Xiang-Ru","A one-dimensional zinc(II) coordination polymer with a three-dimensional supramolecular architecture incorporating 1-[(1<i>H</i>-benzimidazol-2-yl)methyl]-1<i>H</i>-tetrazole and adipate","Acta Crystallographica Section C","2016","72","12","1002","1006","10.1107/S205322961601874X","","","0.71073","MoKα","","0.0563","0.0524","","","0.1211","0.1234","","","","","","1.267","","","","has coordinates,has Fobs","188788","2020-10-21","18:00:00",""
"2020681","7.8651","0.0003","9.2595","0.0003","14.7958","0.0005","90","","101.151","0.001","90","","1057.19","0.06","100","0.2","100","0.2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","4-[(2,2,2-Trifluoroethoxy)methyl]pyridinium iodide","","- C8 H9 F3 I N O -","- C8 H9 F3 I N O -","- C32 H36 F12 I4 N4 O4 -","4","1","KU3190","Lu, Norman; Alagesan, Mani; Ho, Chi-Liang; Wei, Rong-Jyun; Kung, Chih-Chieh; Chang, Jung-Shan; Wen, Yuh-Sheng; Liu, Ling-Kang","New fluorous ponytailed 4-[(2,2,2-trifluoroethoxy)methyl]pyridinium halide salts","Acta Crystallographica Section C","2016","72","12","1007","1011","10.1107/S2053229616018428","","","0.71073","MoKα","","0.0125","0.0124","","","0.0279","0.0279","","","","","","1.213","","","","has coordinates,has Fobs","188789","2020-10-21","18:00:00",""
"2020682","9.2236","0.0003","13.5704","0.0005","15.86","0.0005","90","","90","","90","","1985.16","0.12","100","0.2","100","0.2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","4-[(2,2,2-Trifluoroethoxy)methyl]pyridinium chloride","","- C8 H9 Cl F3 N O -","- C8 H9 Cl F3 N O -","- C64 H72 Cl8 F24 N8 O8 -","8","1","","Lu, Norman; Alagesan, Mani; Ho, Chi-Liang; Wei, Rong-Jyun; Kung, Chih-Chieh; Chang, Jung-Shan; Wen, Yuh-Sheng; Liu, Ling-Kang","New fluorous ponytailed 4-[(2,2,2-trifluoroethoxy)methyl]pyridinium halide salts","Acta Crystallographica Section C","2016","72","12","1007","1011","10.1107/S2053229616018428","","","0.71073","MoKα","","0.0309","0.0249","","","0.0592","0.0636","","","","","","1.049","","","","has coordinates,has Fobs","188789","2020-10-21","18:00:00",""
"2022630","10.032","0.002","31.955","0.007","13.233","0.003","90","","105.92","0.002","90","","4079.4","1.5","98","2","98","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Bis(<i>N</i>,<i>N</i>-diethyldithiocarbamato-κ^2^<i>S</i>,<i>S</i>')(3-hydroxypyridine-κ<i>N</i>)zinc","","- C15 H25 N3 O S4 Zn -","- C15 H25 N3 O S4 Zn -","- C120 H200 N24 O8 S32 Zn8 -","8","2","HB7628","Jotani, Mukesh M.; Arman, Hadi D.; Poplaukhin, Pavel; Tiekink, Edward R. T.","Bis(N,N-diethyldithiocarbamato-κ2S,S')(3-hydroxypyridine-κN)zinc and bis[N-(2-hydroxyethyl)-N-methyldithiocarbamato-κ2S,S'](3-hydroxypyridine-κN)zinc: crystal structures and Hirshfeld surface analysis","Acta Crystallographica, Section E: Crystallographic Communications","2016","72","12","1700","1709","10.1107/S205698901601728X","","","0.71073","MoKα","","0.0459","0.0411","","","0.1021","0.106","","","","","","1.062","","","","has coordinates,has Fobs","276683","2022-07-06","20:16:55",""
"2022631","8.8645","0.0019","9.956","0.002","11.473","0.003","102.154","0.004","106.989","0.004","93.466","0.003","938.6","0.4","98","2","98","2","","","","","","","","6","P -1","-P 1","2","","Bis[<i>N</i>-(2-hydroxyethyl)-<i>N</i>-methyldithiocarbamato-κ^2^<i>S</i>,<i>S</i>'](3-hydroxypyridine-κ<i>N</i>)zinc","","- C13 H21 N3 O3 S4 Zn -","- C13 H21 N3 O3 S4 Zn -","- C26 H42 N6 O6 S8 Zn2 -","2","1","HB7628","Jotani, Mukesh M.; Arman, Hadi D.; Poplaukhin, Pavel; Tiekink, Edward R. T.","Bis(N,N-diethyldithiocarbamato-κ2S,S')(3-hydroxypyridine-κN)zinc and bis[N-(2-hydroxyethyl)-N-methyldithiocarbamato-κ2S,S'](3-hydroxypyridine-κN)zinc: crystal structures and Hirshfeld surface analysis","Acta Crystallographica, Section E: Crystallographic Communications","2016","72","12","1700","1709","10.1107/S205698901601728X","","","0.71073","MoKα","","0.0325","0.0316","","","0.0788","0.0795","","","","","","1.057","","","","has coordinates,has Fobs","276684","2022-07-06","20:17:08",""
"2107440","9.579","0.003","9.806","0.002","11.612","0.004","78.66","0.02","89.44","0.03","78.85","0.04","1048.8","0.6","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C21 H24 F N3 O8 -","- C21 H24 F N3 O8 -","- C42 H48 F2 N6 O16 -","2","1","AO5007","Zhang, Guoshun; Zhang, Li; Yang, Dezhi; Zhang, Na; He, Lan; Du, Guanhua; Lu, Yang","Salt screening and characterization of ciprofloxacin","Acta Crystallographica Section B","2016","72","1","20","28","10.1107/S2052520615018582","","","1.54178","CuKα","","0.0464","0.0431","","","0.1189","0.1236","","","","","","1.04","","","","has coordinates,has Fobs","176608","2020-10-21","18:00:00",""
"2107441","9.922","0.004","30.199","0.009","13.528","0.008","90","","109.717","0.013","90","","3816","3","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C38 H46 F2 N6 O13 -","- C38 H46 F2 N6 O13 -","- C152 H184 F8 N24 O52 -","4","1","","Zhang, Guoshun; Zhang, Li; Yang, Dezhi; Zhang, Na; He, Lan; Du, Guanhua; Lu, Yang","Salt screening and characterization of ciprofloxacin","Acta Crystallographica Section B","2016","72","1","20","28","10.1107/S2052520615018582","","","1.54178","CuKα","","0.1005","0.0819","","","0.2234","0.249","","","","","","1.053","","","","has coordinates,has disorder,has Fobs","176608","2020-10-21","18:00:00",""
"2107442","13.956","0.004","10.459","0.004","15.184","0.005","90","","108.765","0.006","90","","2098.5","1.2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C21 H22 F N3 O7 -","- C21 H22 F N3 O7 -","- C84 H88 F4 N12 O28 -","4","1","","Zhang, Guoshun; Zhang, Li; Yang, Dezhi; Zhang, Na; He, Lan; Du, Guanhua; Lu, Yang","Salt screening and characterization of ciprofloxacin","Acta Crystallographica Section B","2016","72","1","20","28","10.1107/S2052520615018582","","","1.54178","CuKα","","0.0467","0.0419","","","0.1175","0.123","","","","","","1.037","","","","has coordinates,has disorder,has Fobs","176608","2020-10-21","18:00:00",""
"2107443","10.225","0.002","13.835","0.0006","18.56","0.007","72.83","0.04","86.82","0.06","68.03","0.05","2321.9","1.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C44 H58 F2 N6 O17 -","- C44 H58 F2 N6 O17 -","- C88 H116 F4 N12 O34 -","2","1","","Zhang, Guoshun; Zhang, Li; Yang, Dezhi; Zhang, Na; He, Lan; Du, Guanhua; Lu, Yang","Salt screening and characterization of ciprofloxacin","Acta Crystallographica Section B","2016","72","1","20","28","10.1107/S2052520615018582","","","1.54178","CuKα","","0.0962","0.0743","","","0.1904","0.2176","","","","","","1.125","","","","has coordinates,has disorder,has Fobs","176608","2020-10-21","18:00:00",""
"2107444","5.047","0.005","6.979","0.006","16.333","0.009","98.79","0.16","93.52","0.15","95.39","0.15","564.3","0.9","100","1","100","1","","","","","","","","4","P -1","-P 1","2","","1,4-bis (5-hexyl-2-thienyl) butane-1,4 dione","","- C24 H34 O2 S2 -","- C24 H34 O2 S2 -","- C24 H34 O2 S2 -","1","0.5","GW5041","Ahmed, Maqsood; Nassour, Ayoub; Noureen, Sajida; Lecomte, Claude; Jelsch, Christian","Experimental and theoretical charge-density analysis of 1,4-bis(5-hexyl-2-thienyl)butane-1,4-dione: applications of a virtual-atom model","Acta Crystallographica Section B","2016","72","1","75","86","10.1107/S2052520615019083","","","0.71073","MoKα","","0.0425","0.0425","","","0.0634","0.0719","","","","","","1.045","","","","has coordinates,has Fobs","176609","2020-10-21","18:00:00",""
"2107445","3.6047","0.0002","3.6047","0.0002","5.184","0.0004","90","","90","","90","","67.36","0.007","293","","293","","","","","","","","","3","P 42/n m c","-P 4ac 2a","137","zirconia","zirconium dioxide","","- Eu0.04 O1.98 Zr0.96 -","- Eu0.039 O2 Zr0.961 -","- Eu0.078 O4 Zr1.922 -","2","","WF5122","Marin, Riccardo; Sponchia, Gabriele; Back, Michele; Riello, Pietro","Determining europium compositional fluctuations in partially stabilized zirconia nanopowders: a non-line-broadening-based method","Acta Crystallographica Section B","2016","72","1","","","10.1107/S2052520615021083","powder diffraction","","1.54056","CuKα~1~","","","","","","","","","","1.13","","","","","","","has coordinates,has Fobs","174996","2020-10-21","18:00:00",""
"2107446","3.6053","0.0001","3.6053","0.0001","5.1843","0.0002","90","","90","","90","","67.387","0.004","293","","293","","","","","","","","","3","P 42/n m c","-P 4ac 2a","137","zirconia","zirconium dioxide","","- Eu0.04 O1.98 Zr0.96 -","- Eu0.042 O2 Zr0.958 -","- Eu0.084 O4 Zr1.916 -","2","","WF5122","Marin, Riccardo; Sponchia, Gabriele; Back, Michele; Riello, Pietro","Determining europium compositional fluctuations in partially stabilized zirconia nanopowders: a non-line-broadening-based method","Acta Crystallographica Section B","2016","72","1","","","10.1107/S2052520615021083","powder diffraction","","1.54056","CuKα~1~","","","","","","","","","","1.33","","","","","","","has coordinates,has Fobs","174996","2020-10-21","18:00:00",""
"2107447","5.164","0.001","5.206","0.001","5.325","0.001","90","","98.7","0.01","90","","141.51","0.05","293","","293","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","zirconia","zirconium dioxide","","- Eu0.04 O1.98 Zr0.96 -","- Eu0.04 O2 Zr0.96 -","- Eu0.16 O8 Zr3.84 -","4","1","WF5122","Marin, Riccardo; Sponchia, Gabriele; Back, Michele; Riello, Pietro","Determining europium compositional fluctuations in partially stabilized zirconia nanopowders: a non-line-broadening-based method","Acta Crystallographica Section B","2016","72","1","","","10.1107/S2052520615021083","powder diffraction","","1.54056","CuKα~1~","","","","","","","","","","1.33","","","","","","","has coordinates,has Fobs","174996","2020-10-21","18:00:00",""
"2107448","3.6055","0.0001","3.6055","0.0001","5.1841","0.0003","90","","90","","90","","67.391","0.005","293","","293","","","","","","","","","3","P 42/n m c","-P 4ac 2a","137","zirconia","zirconium dioxide","","- Eu0.04 O1.98 Zr0.96 -","- Eu0.042 O2 Zr0.958 -","- Eu0.084 O4 Zr1.916 -","2","","WF5122","Marin, Riccardo; Sponchia, Gabriele; Back, Michele; Riello, Pietro","Determining europium compositional fluctuations in partially stabilized zirconia nanopowders: a non-line-broadening-based method","Acta Crystallographica Section B","2016","72","1","","","10.1107/S2052520615021083","powder diffraction","","1.54056","CuKα~1~","","","","","","","","","","1.53","","","","","","","has coordinates,has Fobs","174996","2020-10-21","18:00:00",""
"2107449","5.1623","0.0007","5.2052","0.0009","5.3229","0.0008","90","","98.63","0.008","90","","141.41","0.04","293","","293","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","zirconia","zirconium dioxide","","- Eu0.04 O1.98 Zr0.96 -","- Eu0.04 O2 Zr0.96 -","- Eu0.16 O8 Zr3.84 -","4","1","WF5122","Marin, Riccardo; Sponchia, Gabriele; Back, Michele; Riello, Pietro","Determining europium compositional fluctuations in partially stabilized zirconia nanopowders: a non-line-broadening-based method","Acta Crystallographica Section B","2016","72","1","","","10.1107/S2052520615021083","powder diffraction","","1.54056","CuKα~1~","","","","","","","","","","1.53","","","","","","","has coordinates,has Fobs","174996","2020-10-21","18:00:00",""
"2107450","3.6059","0.0002","3.6059","0.0002","5.1838","0.0004","90","","90","","90","","67.402","0.007","293","","293","","","","","","","","","3","P 42/n m c","-P 4ac 2a","137","zirconia","zirconium dioxide","","- Eu0.04 O1.98 Zr0.96 -","- Eu0.043 O2 Zr0.957 -","- Eu0.086 O4 Zr1.914 -","2","","WF5122","Marin, Riccardo; Sponchia, Gabriele; Back, Michele; Riello, Pietro","Determining europium compositional fluctuations in partially stabilized zirconia nanopowders: a non-line-broadening-based method","Acta Crystallographica Section B","2016","72","1","","","10.1107/S2052520615021083","powder diffraction","","1.54056","CuKα~1~","","","","","","","","","","1.69","","","","","","","has coordinates,has Fobs","174996","2020-10-21","18:00:00",""
"2107451","5.1595","0.0007","5.2069","0.0008","5.3223","0.0008","90","","98.78","0.007","90","","141.31","0.04","293","","293","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","zirconia","zirconium dioxide","","- Eu0.04 O1.98 Zr0.96 -","- Eu0.04 O2 Zr0.96 -","- Eu0.16 O8 Zr3.84 -","4","1","WF5122","Marin, Riccardo; Sponchia, Gabriele; Back, Michele; Riello, Pietro","Determining europium compositional fluctuations in partially stabilized zirconia nanopowders: a non-line-broadening-based method","Acta Crystallographica Section B","2016","72","1","","","10.1107/S2052520615021083","powder diffraction","","1.54056","CuKα~1~","","","","","","","","","","1.69","","","","","","","has coordinates,has Fobs","174996","2020-10-21","18:00:00",""
"2107452","3.6062","0.0003","3.6062","0.0003","5.1841","0.0006","90","","90","","90","","67.418","0.011","293","","293","","","","","","","","","3","P 42/n m c","-P 4ac 2a","137","zirconia","zirconium dioxide","","- Eu0.04 O1.98 Zr0.96 -","- Eu0.044 O2 Zr0.956 -","- Eu0.088 O4 Zr1.912 -","2","","WF5122","Marin, Riccardo; Sponchia, Gabriele; Back, Michele; Riello, Pietro","Determining europium compositional fluctuations in partially stabilized zirconia nanopowders: a non-line-broadening-based method","Acta Crystallographica Section B","2016","72","1","","","10.1107/S2052520615021083","powder diffraction","","1.54056","CuKα~1~","","","","","","","","","","1.9","","","","","","","has coordinates,has Fobs","174996","2020-10-21","18:00:00",""
"2107453","5.1604","0.0007","5.2072","0.0008","5.3208","0.0008","90","","98.822","0.007","90","","141.28","0.04","293","","293","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","zirconia","zirconium dioxide","","- Eu0.04 O1.98 Zr0.96 -","- Eu0.04 O2 Zr0.96 -","- Eu0.16 O8 Zr3.84 -","4","1","WF5122","Marin, Riccardo; Sponchia, Gabriele; Back, Michele; Riello, Pietro","Determining europium compositional fluctuations in partially stabilized zirconia nanopowders: a non-line-broadening-based method","Acta Crystallographica Section B","2016","72","1","","","10.1107/S2052520615021083","powder diffraction","","1.54056","CuKα~1~","","","","","","","","","","1.9","","","","","","","has coordinates,has Fobs","174996","2020-10-21","18:00:00",""
"2107454","3.612","0.001","3.612","0.001","5.172","0.003","90","","90","","90","","67.48","0.05","293","","293","","","","","","","","","3","P 42/n m c","-P 4ac 2a","137","zirconia","zirconium dioxide","","- Eu0.04 O1.98 Zr0.96 -","- Eu0.048 O2 Zr0.952 -","- Eu0.096 O4 Zr1.904 -","2","","WF5122","Marin, Riccardo; Sponchia, Gabriele; Back, Michele; Riello, Pietro","Determining europium compositional fluctuations in partially stabilized zirconia nanopowders: a non-line-broadening-based method","Acta Crystallographica Section B","2016","72","1","","","10.1107/S2052520615021083","powder diffraction","","1.54056","CuKα~1~","","","","","","","","","","1.75","","","","","","","has coordinates,has Fobs","174996","2020-10-21","18:00:00",""
"2107455","5.1603","0.0006","5.2086","0.0007","5.3211","0.0007","90","","98.912","0.006","90","","141.29","0.03","293","","293","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","zirconia","zirconium dioxide","","- Eu0.04 O1.98 Zr0.96 -","- Eu0.04 O2 Zr0.96 -","- Eu0.16 O8 Zr3.84 -","4","1","WF5122","Marin, Riccardo; Sponchia, Gabriele; Back, Michele; Riello, Pietro","Determining europium compositional fluctuations in partially stabilized zirconia nanopowders: a non-line-broadening-based method","Acta Crystallographica Section B","2016","72","1","","","10.1107/S2052520615021083","powder diffraction","","1.54056","CuKα~1~","","","","","","","","","","1.75","","","","","","","has coordinates,has Fobs","174996","2020-10-21","18:00:00",""
"2107456","10.116","0.003","28.856","0.008","4.8378","0.0016","90","","103.908","0.018","90","","1370.8","0.7","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H16 N2 O3 -","- C15 H16 N2 O3 -","- C60 H64 N8 O12 -","4","1","BI5051","Sovago, Ioana; Gutmann, Matthias J.; Senn, Hans Martin; Thomas, Lynne H.; Wilson, Chick C.; Farrugia, Louis J.","Electron density, disorder and polymorphism: high-resolution diffraction studies of the highly polymorphic neuralgic drug carbamazepine","Acta Crystallographica Section B","2016","72","1","39","50","10.1107/S2052520615019538","","","0.42","neutrons","","0.0651","0.0651","","","0.1724","0.1724","","","","","","1.101","","","","has coordinates,has disorder,has Fobs","176610","2020-10-21","18:00:00",""
"2107457","10.144","0.004","28.891","0.011","4.847","0.002","90","","103.763","0.012","90","","1379.7","0.9","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H16 N2 O3 -","- C15 H16 N2 O3 -","- C60 H64 N8 O12 -","4","1","BI5051","Sovago, Ioana; Gutmann, Matthias J.; Senn, Hans Martin; Thomas, Lynne H.; Wilson, Chick C.; Farrugia, Louis J.","Electron density, disorder and polymorphism: high-resolution diffraction studies of the highly polymorphic neuralgic drug carbamazepine","Acta Crystallographica Section B","2016","72","1","39","50","10.1107/S2052520615019538","","","0.71073","MoKα","","0.0936","0.0441","","","0.0743","0.0822","","","","","","0.992","","","","has coordinates,has disorder,has Fobs","176610","2020-10-21","18:00:00",""
"2107458","19.638","0.006","4.8378","0.0016","28.856","0.008","90","","90","","90","","2741.5","1.4","100","2","100","2","","","","","","","","4","C m c e","-C 2ac 2","64","","","","- C15 H16 N2 O3 -","- C15 H16 N2 O3 -","- C120 H128 N16 O24 -","8","0.5","BI5051","Sovago, Ioana; Gutmann, Matthias J.; Senn, Hans Martin; Thomas, Lynne H.; Wilson, Chick C.; Farrugia, Louis J.","Electron density, disorder and polymorphism: high-resolution diffraction studies of the highly polymorphic neuralgic drug carbamazepine","Acta Crystallographica Section B","2016","72","1","39","50","10.1107/S2052520615019538","","","","","","0.0646","0.0646","","","0.1708","0.1708","","","","","","1.069","","","","has coordinates,has disorder","176610","2020-10-21","18:00:00",""
"2107459","19.705","0.008","4.847","0.002","28.891","0.011","90","","90","","90","","2759.4","1.9","100","2","100","2","","","","","","","","4","C m c e","-C 2ac 2","64","","","","- C15 H16 N2 O3 -","- C15 H16 N2 O3 -","- C120 H128 N16 O24 -","8","0.5","BI5051","Sovago, Ioana; Gutmann, Matthias J.; Senn, Hans Martin; Thomas, Lynne H.; Wilson, Chick C.; Farrugia, Louis J.","Electron density, disorder and polymorphism: high-resolution diffraction studies of the highly polymorphic neuralgic drug carbamazepine","Acta Crystallographica Section B","2016","72","1","39","50","10.1107/S2052520615019538","","","0.71073","MoKα","","0.0693","0.0388","","","0.0686","0.0738","","","","","","1.012","","","","has coordinates,has disorder","176610","2020-10-21","18:00:00",""
"2107460","7.498","0.0015","11.058","0.002","13.789","0.003","90","","92.838","0.016","90","","1141.9","0.4","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C15 H12 N2 O -","- C15 H12 N2 O -","- C60 H48 N8 O4 -","4","1","BI5051","Sovago, Ioana; Gutmann, Matthias J.; Senn, Hans Martin; Thomas, Lynne H.; Wilson, Chick C.; Farrugia, Louis J.","Electron density, disorder and polymorphism: high-resolution diffraction studies of the highly polymorphic neuralgic drug carbamazepine","Acta Crystallographica Section B","2016","72","1","39","50","10.1107/S2052520615019538","","","0.42","","","0.0679","0.0679","","","0.164","0.164","","","","","","1.069","","","","has coordinates,has Fobs","176610","2020-10-21","18:00:00",""
"2107461","12.76","0.0002","8.0593","0.0001","16.6668","0.0002","90","","104.61","0.0005","90","","1658.53","0.04","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","(1)","","","- C9 H7 N O4 -","- C9 H7 N O4 -","- C72 H56 N8 O32 -","8","1","PI5027","Wang, Ai; Ashurov, Jamshid; Ibragimov, Aziz; Wang, Ruimin; Mouhib, Halima; Mukhamedov, Nasir; Englert, Ulli","Charge density of the biologically active molecule (2-oxo-1,3-benzoxazol-3(2<i>H</i>)-yl)acetic acid","Acta Crystallographica Section B","2016","72","1","142","150","10.1107/S2052520615023690","","","0.71073","MoKα","","0.0677","0.051","","","0.1319","0.1445","","","","","","1.057","","","","has coordinates,has Fobs","176605","2020-10-21","18:00:00",""
"2107462","12.60842","0.00004","9.24278","0.00004","6.74885","0.00002","90","","104.992","0.0003","90","","759.721","0.005","291","","291","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","Calcium Pyrophosphate Dihydrate","Calcium Pyrophosphate Dihydrate","","- Ca2 H4 O9 P2 -","- Ca2 H4 O9 P2 -","- Ca8 H16 O36 P8 -","4","1","RA5009","Gras, Pierre; Rey, Christian; André, Gilles; Charvillat, Cédric; Sarda, Stéphanie; Combes, Christèle","Crystal structure of monoclinic calcium pyrophosphate dihydrate (m-CPPD) involved in inflammatory reactions and osteoarthritis","Acta Crystallographica Section B","2016","72","1","96","101","10.1107/S2052520615021563","powder diffraction","","0.72442","synchrotron","","","","","","","","","5.0528","2.5703","","","","","","","has coordinates,has Fobs","213073","2020-10-21","18:00:00",""
"2107463","12.584","0.0014","9.2184","0.001","6.7372","0.0007","90","","104.949","0.011","90","","755.09","0.15","291","","291","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","Calcium Pyrophosphate Dihydrate","Calcium Pyrophosphate Dihydrate","","- Ca2 H4 O9 P2 -","- Ca2 H4 O9 P2 -","- Ca8 H16 O36 P8 -","4","1","RA5009","Gras, Pierre; Rey, Christian; André, Gilles; Charvillat, Cédric; Sarda, Stéphanie; Combes, Christèle","Crystal structure of monoclinic calcium pyrophosphate dihydrate (m-CPPD) involved in inflammatory reactions and osteoarthritis","Acta Crystallographica Section B","2016","72","1","96","101","10.1107/S2052520615021563","powder diffraction","","2.423","ConstantWavelengthNeutronDiffraction","","","","","","","","","6.903","2.2038","","","","","","","has coordinates","176606","2020-10-21","18:00:00",""
"2107464","11.91","0.005","19.682","0.008","25.516","0.009","90","","93.74","0.03","90","","5969","4","350","2","350","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","ammonium salt of 1,3-cyclic dihydroxyacetone phosphate dimethyl acetal","ammonium 5,5-dimethoxy-2-oxo-1,3,2-dioxaphosphorinan-2-olate","","- C5 H14 N O6 P -","- C5 H14 N O6 P -","- C120 H336 N24 O144 P24 -","24","6","WF5120","Ślepokura, Katarzyna Anna","Reversible <i>chair</i> {łeftrightarrow} <i>skew</i> conformational interconversion of 1,3,2-dioxaphosphorinane ring in the solid state","Acta Crystallographica Section B","2016","72","1","117","125","10.1107/S2052520615020259","","","0.71073","MoKα","","0.2248","0.077","","","0.1399","0.1771","","","","","","1.003","","","","has coordinates,has disorder","176607","2020-10-21","18:00:00",""
"2107465","11.873","0.004","19.569","0.006","14.218","0.005","116.88","0.03","93.62","0.03","90.15","0.03","2938.8","1.9","290","2","290","2","","","","","","","","5","P -1","-P 1","2","ammonium salt of 1,3-cyclic dihydroxyacetone phosphate dimethyl acetal","ammonium 5,5-dimethoxy-2-oxo-1,3,2-dioxaphosphorinan-2-olate","","- C5 H14 N O6 P -","- C5 H14 N O6 P -","- C60 H168 N12 O72 P12 -","12","6","","Ślepokura, Katarzyna Anna","Reversible <i>chair</i> {łeftrightarrow} <i>skew</i> conformational interconversion of 1,3,2-dioxaphosphorinane ring in the solid state","Acta Crystallographica Section B","2016","72","1","117","125","10.1107/S2052520615020259","","","0.71073","MoKα","","0.0835","0.0395","","","0.0872","0.0928","","","","","","1","","","","has coordinates,has disorder","176607","2020-10-21","18:00:00",""
"2107466","11.39","0.004","6.862","0.002","12.216","0.005","90","","97.86","0.03","90","","945.8","0.6","205","2","205","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","ammonium salt of 1,3-cyclic dihydroxyacetone phosphate dimethyl acetal","ammonium 5,5-dimethoxy-2-oxo-1,3,2-dioxaphosphorinan-2-olate","","- C5 H14 N O6 P -","- C5 H14 N O5.9999 P -","- C20 H56 N4 O23.9996 P4 -","4","1","","Ślepokura, Katarzyna Anna","Reversible <i>chair</i> {łeftrightarrow} <i>skew</i> conformational interconversion of 1,3,2-dioxaphosphorinane ring in the solid state","Acta Crystallographica Section B","2016","72","1","117","125","10.1107/S2052520615020259","","","0.71073","MoKα","","0.0787","0.0396","","","0.1025","0.1139","","","","","","1.013","","","","has coordinates,has disorder","176607","2020-10-21","18:00:00",""
"2107467","11.336","0.003","20.486","0.005","25.369","0.006","105.6","0.03","97.5","0.03","90.17","0.03","5621","3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","ammonium salt of 1,3-cyclic dihydroxyacetone phosphate dimethyl acetal","ammonium 5,5-dimethoxy-2-oxo-1,3,2-dioxaphosphorinan-2-olate","","- C5 H14 N O6 P -","- C5 H14 N O5.99996 P -","- C120 H336 N24 O143.999 P24 -","24","12","","Ślepokura, Katarzyna Anna","Reversible <i>chair</i> {łeftrightarrow} <i>skew</i> conformational interconversion of 1,3,2-dioxaphosphorinane ring in the solid state","Acta Crystallographica Section B","2016","72","1","117","125","10.1107/S2052520615020259","","","0.71073","MoKα","","0.1165","0.0405","","","0.0733","0.0792","","","","","","1.001","","","","has coordinates,has disorder","176607","2020-10-21","18:00:00",""
"2107468","23.52","0.01","23.52","0.01","5.03","0.01","90","","90","","90","","2783","6","10","","10","","","","","","","","","4","P 21 21 2","P 2 2ab","18","","","","- Ca2 Co O7 Si2 -","- Ca2 Co O7 Si2 -","- Ca36 Co18 O126 Si36 -","18","4.5","BP5083","Sazonov, Andrew; Hutanu, Vladimir; Meven, Martin; Roth, Georg; Kézsmárki, István; Murakawa, Hiroshi; Tokura, Yoshinori; Náfrádi, Bálint","The low-temperature crystal structure of the multiferroic melilite Ca~2~CoSi~2~O~7~","Acta Crystallographica Section B","2016","72","1","126","132","10.1107/S2052520615023057","","","1.1695","neutron","","0.0428","0.0428","","","0.0988","0.0988","","","","","","3.17","","","","has coordinates,has Fobs","176611","2020-10-21","18:00:00",""
"2107469","27","0.005","56.855","0.011","10.756","0.002","90","","90","","90","","16511","5","100","2","100","2","","","","","","","","5","F d d 2","F 2 -2d","43","","","","- C38 H42 Cu N6 O11 -","- C38 H42 Cu N6 O11 -","- C608 H672 Cu16 N96 O176 -","16","1","LO5005","Pradhan, Subhashis; Moon, Dohyun; John, Rohith P.","A double stranded metal‒organic assembly accommodating a pair of water trimers in the host cavity and catalysing Glaser coupling","Acta Crystallographica Section B","2016","72","1","102","108","10.1107/S2052520615020983","","","0.62996","synchrotron","","0.0346","0.0344","","","0.0945","0.0947","","","","","","1.064","","","","has coordinates","176612","2020-10-21","18:00:00",""
"2107470","13.8611","0.0013","13.8611","0.0013","6.9924","0.001","90","","90","","120","","1163.5","0.2","293","","293","","","","","","","","","4","R -3 m :H","-R 3 2""","166","","","","- Cs3 O15 Sc Si6 -","- Cs3 O15 Sc Si6 -","- Cs9 O45 Sc3 Si18 -","3","0.0833333","DK5038","Hejny, Clivia; Kahlenberg, Volker; Schmidmair, Daniela; Dabić, Predrag","(3+1)-Incommensurately modulated crystal structure of Cs~3~ScSi~6~O~15~","Acta Crystallographica Section B","2016","72","1","109","116","10.1107/S2052520615022076","","x-ray","0.71073","MoKα","","0.0289","0.02","","","0.0235","0.0259","","","","1.16","1.16","1.16","","","","has coordinates","176613","2020-10-21","18:00:00",""
"2107471","7.7952","0.0002","7.1669","0.0002","20.7708","0.0005","90","","93.2075","0.0017","90","","1158.59","0.05","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C28 H24 N2 O4 -","- C28 H24 N2 O4 -","- C56 H48 N4 O8 -","2","0.5","BM5077","Lorenzo, Daniel A.; Forrest, Sebastian J. K.; Sparkes, Hazel A.","Crystal engineering: co-crystals of cinnamic acid derivatives with a pyridyl derivative co-crystallizer","Acta Crystallographica Section B","2016","72","1","87","95","10.1107/S2052520615019678","","","0.71073","MoKα","","0.0432","0.0355","","","0.0907","0.0954","","","","","","1.063","","","","has coordinates,has Fobs","176614","2020-10-21","18:00:00",""
"2107472","8.4176","0.0003","10.6487","0.0004","15.0679","0.0005","75.883","0.002","82.329","0.002","83.301","0.002","1293.14","0.08","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C15 H14 N2 O3 -","- C15 H14 N2 O3 -","- C60 H56 N8 O12 -","4","2","","Lorenzo, Daniel A.; Forrest, Sebastian J. K.; Sparkes, Hazel A.","Crystal engineering: co-crystals of cinnamic acid derivatives with a pyridyl derivative co-crystallizer","Acta Crystallographica Section B","2016","72","1","87","95","10.1107/S2052520615019678","","","0.71073","MoKα","","0.0501","0.0385","","","0.1027","0.1104","","","","","","1.031","","","","has coordinates,has Fobs","176614","2020-10-21","18:00:00",""
"2107473","14.0191","0.0007","6.1871","0.0003","16.6387","0.0007","90","","111.74","0.003","90","","1340.55","0.11","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H14 N2 O3 -","- C15 H14 N2 O3 -","- C60 H56 N8 O12 -","4","1","","Lorenzo, Daniel A.; Forrest, Sebastian J. K.; Sparkes, Hazel A.","Crystal engineering: co-crystals of cinnamic acid derivatives with a pyridyl derivative co-crystallizer","Acta Crystallographica Section B","2016","72","1","87","95","10.1107/S2052520615019678","","","0.71073","MoKα","","0.081","0.0447","","","0.0924","0.1077","","","","","","1.001","","","","has coordinates,has Fobs","176614","2020-10-21","18:00:00",""
"2107474","10.8843","0.0002","15.651","0.0004","16.6073","0.0004","63.358","0.001","79.726","0.001","77.722","0.001","2459.66","0.1","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C30 H28 N2 O4 -","- C30 H28 N2 O4 -","- C120 H112 N8 O16 -","4","2","","Lorenzo, Daniel A.; Forrest, Sebastian J. K.; Sparkes, Hazel A.","Crystal engineering: co-crystals of cinnamic acid derivatives with a pyridyl derivative co-crystallizer","Acta Crystallographica Section B","2016","72","1","87","95","10.1107/S2052520615019678","","","0.71073","MoKα","","0.0857","0.0513","","","0.1197","0.1375","","","","","","1.019","","","","has coordinates,has disorder,has Fobs","176614","2020-10-21","18:00:00",""
"2107475","7.0311","0.0002","8.6172","0.0002","11.949","0.0003","77.4101","0.0014","87.9565","0.0014","82.6358","0.0014","700.71","0.03","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C16 H16 N2 O3 -","- C16 H16 N2 O3 -","- C32 H32 N4 O6 -","2","1","","Lorenzo, Daniel A.; Forrest, Sebastian J. K.; Sparkes, Hazel A.","Crystal engineering: co-crystals of cinnamic acid derivatives with a pyridyl derivative co-crystallizer","Acta Crystallographica Section B","2016","72","1","87","95","10.1107/S2052520615019678","","","0.71073","MoKα","","0.0393","0.0351","","","0.0967","0.1005","","","","","","1.04","","","","has coordinates,has Fobs","176614","2020-10-21","18:00:00",""
"2107476","6.4681","0.0003","28.9773","0.0013","6.893","0.0003","90","","103.812","0.002","90","","1254.58","0.1","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C30 H28 N2 O6 -","- C30 H28 N2 O6 -","- C60 H56 N4 O12 -","2","0.5","","Lorenzo, Daniel A.; Forrest, Sebastian J. K.; Sparkes, Hazel A.","Crystal engineering: co-crystals of cinnamic acid derivatives with a pyridyl derivative co-crystallizer","Acta Crystallographica Section B","2016","72","1","87","95","10.1107/S2052520615019678","","","0.71073","MoKα","","0.0455","0.0408","","","0.1038","0.1066","","","","","","1.065","","","","has coordinates,has Fobs","176614","2020-10-21","18:00:00",""
"2107477","9.1225","0.0004","11.5523","0.0004","14.1938","0.0005","90.7","0.003","90.577","0.003","104.055","0.003","1450.81","0.1","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C16 H16 N2 O4 -","- C16 H16 N2 O4 -","- C64 H64 N8 O16 -","4","2","","Lorenzo, Daniel A.; Forrest, Sebastian J. K.; Sparkes, Hazel A.","Crystal engineering: co-crystals of cinnamic acid derivatives with a pyridyl derivative co-crystallizer","Acta Crystallographica Section B","2016","72","1","87","95","10.1107/S2052520615019678","","","0.71073","MoKα","","0.1095","0.0567","","","0.1202","0.1407","","","","","","0.986","","","","has coordinates,has Fobs","176614","2020-10-21","18:00:00",""
"2107478","14.02","0.0008","9.8795","0.0005","11.6434","0.0006","90","","96.975","0.004","90","","1600.8","0.15","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H18 N2 O5 -","- C17 H18 N2 O5 -","- C68 H72 N8 O20 -","4","1","","Lorenzo, Daniel A.; Forrest, Sebastian J. K.; Sparkes, Hazel A.","Crystal engineering: co-crystals of cinnamic acid derivatives with a pyridyl derivative co-crystallizer","Acta Crystallographica Section B","2016","72","1","87","95","10.1107/S2052520615019678","","","0.71073","MoKα","","0.1151","0.0551","","","0.11","0.1343","","","","","","0.996","","","","has coordinates,has Fobs","176614","2020-10-21","18:00:00",""
"2107483","18.3127","0.0003","21.3286","0.0004","29.264","0.0006","81.874","0.001","89.211","0.001","69.108","0.001","10563.1","0.3","90","0.2","90","0.2","","","","","","","","7","P 1","P 1","1","","","","- C46.111 H40.444 F12 N8 O1.333 P2 Ru -","- C46.1111 H40.4444 F12 N8 O1.33333 P2 Ru -","- C415 H364 F108 N72 O12 P18 Ru9 -","9","9","BM5083","Wachter, Erin; Glazer, Edith C.; Parkin, Sean; Brock, Carolyn Pratt","An exceptional 5:4 enantiomeric structure","Acta Crystallographica Section B","2016","72","2","223","231","10.1107/S205252061600127X","","","1.54178","CuKα","","0.0627","0.0574","","","0.1476","0.1529","","","","","","1.035","","","","has coordinates,has Fobs","180692","2020-10-21","18:00:00",""
"2107484","4.1964","0.0003","7.0129","0.0005","14.4528","0.001","90","","90.924","0.007","90","","425.28","0.05","295","2","295","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C6 H6 N4 O4 -","- C6 H6 N4 O4 -","- C12 H12 N8 O8 -","2","1","XK5025","Pogoda, Dorota; Janczak, Jan; Videnova-Adrabinska, Veneta","New polymorphs of an old drug: conformational and synthon polymorphism of 5-nitrofurazone","Acta Crystallographica Section B","2016","72","2","263","273","10.1107/S2052520615024956","","","0.71073","MoKα","","0.0561","0.032","","","0.0526","0.0592","","","","","","1.002","","","","has coordinates,has Fobs","180693","2020-10-21","18:00:00",""
"2107485","13.5703","0.0006","7.8254","0.0003","7.9677","0.0004","90","","102.26","0.004","90","","826.82","0.06","295","2","295","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C6 H6 N4 O4 -","- C6 H6 N4 O4 -","- C24 H24 N16 O16 -","4","1","","Pogoda, Dorota; Janczak, Jan; Videnova-Adrabinska, Veneta","New polymorphs of an old drug: conformational and synthon polymorphism of 5-nitrofurazone","Acta Crystallographica Section B","2016","72","2","263","273","10.1107/S2052520615024956","","","0.71073","MoKα","","0.0413","0.0293","","","0.0771","0.0814","","","","","","1.001","","","","has coordinates,has Fobs","180693","2020-10-21","18:00:00",""
"2107486","8.978","0.0002","8.978","0.0002","8.2608","0.0003","90","","90","","90","","665.86","0.03","293","","293","","","","","","","","","5","P 42/m n m","-P 4n 2n","136","","","","- F K2 O6 Sc Si2 -","- F K2 O6 Sc Si2 -","- F4 K8 O24 Sc4 Si8 -","4","0.25","DK5040","Hejny, Clivia; Kahlenberg, Volker; Eberhard, Tim; Krüger, Hannes","Melilite-like modulation and temperature-dependent evolution in the framework structure of K~2~Sc[Si~2~O~6~]F","Acta Crystallographica Section B","2016","72","2","209","222","10.1107/S2052520615024865","","x-ray","0.7107","MoKα","","0.0362","0.0353","","","0.047","0.0472","","","","3.83","3.83","3.77","","","","has coordinates","180695","2020-10-21","18:00:00",""
"2107487","8.9878","0.0001","8.9878","0.0001","8.2694","0.0002","90","","90","","90","","668.007","0.019","293","","293","","","","","","","","","5","P 42/m n m","-P 4n 2n","136","","","","- F K2 O6 Sc Si2 -","- F K2 O6 Sc Si2 -","- F4 K8 O24 Sc4 Si8 -","4","0.25","DK5040","Hejny, Clivia; Kahlenberg, Volker; Eberhard, Tim; Krüger, Hannes","Melilite-like modulation and temperature-dependent evolution in the framework structure of K~2~Sc[Si~2~O~6~]F","Acta Crystallographica Section B","2016","72","2","209","222","10.1107/S2052520615024865","","x-ray","0.71069","MoKα","","0.0545","0.0515","","","0.0631","0.0639","","","","4.27","4.27","4.21","","","","has coordinates","180695","2020-10-21","18:00:00",""
"2107488","8.9939","0.0005","8.9939","0.0005","8.2758","0.0007","90","","90","","90","","669.43","0.08","293","","293","","","","","","","","","5","P 42/m n m","-P 4n 2n","136","","","","- F K2 O6 Sc Si2 -","- F K2 O6 Sc Si2 -","- F4 K8 O24 Sc4 Si8 -","4","0.25","DK5040","Hejny, Clivia; Kahlenberg, Volker; Eberhard, Tim; Krüger, Hannes","Melilite-like modulation and temperature-dependent evolution in the framework structure of K~2~Sc[Si~2~O~6~]F","Acta Crystallographica Section B","2016","72","2","209","222","10.1107/S2052520615024865","","x-ray","0.71069","MoKα","","0.0265","0.0262","","","0.038","0.0381","","","","3.61","3.61","3.59","","","","has coordinates","180695","2020-10-21","18:00:00",""
"2107489","8.9878","0.0001","8.9878","0.0001","8.2694","0.0002","90","","90","","90","","668.007","0.019","293","","293","","","","","","","","","5","P 42/m n m","-P 4n 2n","136","","","","- F K2 O6 Sc Si2 -","- F K2 O6 Sc Si2 -","- F4 K8 O24 Sc4 Si8 -","4","0.25","DK5040","Hejny, Clivia; Kahlenberg, Volker; Eberhard, Tim; Krüger, Hannes","Melilite-like modulation and temperature-dependent evolution in the framework structure of K~2~Sc[Si~2~O~6~]F","Acta Crystallographica Section B","2016","72","2","209","222","10.1107/S2052520615024865","","x-ray","0.71069","MoKα","","0.029","0.029","","","0.0528","0.0528","","","","3.95","3.95","3.95","","","","has coordinates","180695","2020-10-21","18:00:00",""
"2107490","8.9705","0.0004","8.9705","0.0004","8.2615","0.0004","90","","90","","90","","664.8","0.05","293","","293","","","","","","","","","5","P 42/m n m","-P 4n 2n","136","","","","- F K2 O6 Sc Si2 -","- F K2 O6 Sc Si2 -","- F4 K8 O24 Sc4 Si8 -","4","0.25","DK5040","Hejny, Clivia; Kahlenberg, Volker; Eberhard, Tim; Krüger, Hannes","Melilite-like modulation and temperature-dependent evolution in the framework structure of K~2~Sc[Si~2~O~6~]F","Acta Crystallographica Section B","2016","72","2","209","222","10.1107/S2052520615024865","","x-ray","0.7107","MoKα","","0.1086","0.0404","","","0.054","0.0628","","","","1.83","1.83","1.32","","","","has coordinates","180695","2020-10-21","18:00:00",""
"2107491","8.9622","0.0004","8.9622","0.0004","8.2705","0.0004","90","","90","","90","","664.3","0.05","293","","293","","","","","","","","","5","P 42/m n m","-P 4n 2n","136","","","","- F K2 O6 Sc Si2 -","- F K2 O6 Sc Si2 -","- F4 K8 O24 Sc4 Si8 -","4","0.25","DK5040","Hejny, Clivia; Kahlenberg, Volker; Eberhard, Tim; Krüger, Hannes","Melilite-like modulation and temperature-dependent evolution in the framework structure of K~2~Sc[Si~2~O~6~]F","Acta Crystallographica Section B","2016","72","2","209","222","10.1107/S2052520615024865","","x-ray","0.71073","MoKα","","0.099","0.0498","","","0.0619","0.0674","","","","2.31","2.31","1.82","","","","has coordinates","180695","2020-10-21","18:00:00",""
"2107492","12.2625","0.0005","14.1634","0.0007","15.425","0.0009","90","","113.843","0.0016","90","","2450.4","0.2","295","","295","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","tris(2-hydroxy-6-methyl-pyridine) phloroglucinol hydrate","","- C24 H29 N3 O7 -","- C24 H29 N3 O7 -","- C96 H116 N12 O28 -","4","1","AO5010","Cvetkovski, Aleksandar; Bertolasi, Valerio; Ferretti, Valeria","Supramolecular hydrogen-bonding patterns of co-crystals containing the active pharmaceutical ingredient (API) phloroglucinol and <i>N</i>-heterocycles","Acta Crystallographica Section B","2016","72","3","326","334","10.1107/S2052520616004406","","","0.71073","MoKα","","0.2346","0.0958","","","0.2371","0.3254","","","","","","1.026","","","","has coordinates,has Fobs","183628","2020-10-21","18:00:00",""
"2107493","7.7212","0.0002","12.4488","0.0002","14.2673","0.0003","112.608","0.0011","95.561","0.0009","93.541","0.0009","1252.69","0.05","295","","295","","","","","","","","","4","P -1","-P 1","2","","Phloroglucinol tris(2,4-dimethyl-6-hydroxy-pyrimidine)","","- C24 H30 N6 O6 -","- C24 H30 N6 O6 -","- C48 H60 N12 O12 -","2","1","","Cvetkovski, Aleksandar; Bertolasi, Valerio; Ferretti, Valeria","Supramolecular hydrogen-bonding patterns of co-crystals containing the active pharmaceutical ingredient (API) phloroglucinol and <i>N</i>-heterocycles","Acta Crystallographica Section B","2016","72","3","326","334","10.1107/S2052520616004406","","","0.71073","MoKα","","0.0847","0.0609","","","0.189","0.2222","","","","","","1.005","","","","has coordinates,has Fobs","183628","2020-10-21","18:00:00",""
"2107494","18.4503","0.0004","7.3939","0.0002","18.7699","0.0005","90","","114.924","0.0013","90","","2322.11","0.1","295","","295","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","bis(4-phenyl-pyridine) phloroglucinol","","- C28 H24 N2 O3 -","- C28 H24 N2 O3 -","- C112 H96 N8 O12 -","4","1","","Cvetkovski, Aleksandar; Bertolasi, Valerio; Ferretti, Valeria","Supramolecular hydrogen-bonding patterns of co-crystals containing the active pharmaceutical ingredient (API) phloroglucinol and <i>N</i>-heterocycles","Acta Crystallographica Section B","2016","72","3","326","334","10.1107/S2052520616004406","","","0.71073","MoKα","","0.1253","0.0584","","","0.1506","0.1949","","","","","","0.953","","","","has coordinates,has Fobs","183628","2020-10-21","18:00:00",""
"2107495","7.7275","0.0003","19.8281","0.001","11.308","0.0006","90","","117.679","0.002","90","","1534.35","0.13","295","","295","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","phloroglucinol bis(2-hydroxy-pyridine)","","- C16 H16 N2 O5 -","- C16 H16 N2 O5 -","- C64 H64 N8 O20 -","4","1","","Cvetkovski, Aleksandar; Bertolasi, Valerio; Ferretti, Valeria","Supramolecular hydrogen-bonding patterns of co-crystals containing the active pharmaceutical ingredient (API) phloroglucinol and <i>N</i>-heterocycles","Acta Crystallographica Section B","2016","72","3","326","334","10.1107/S2052520616004406","","","0.71073","MoKα","","0.1767","0.0593","","","0.1331","0.1905","","","","","","1.054","","","","has coordinates,has Fobs","183628","2020-10-21","18:00:00",""
"2107496","15.6225","0.0004","13.501","0.0003","17.2314","0.0005","90","","90.235","0.001","90","","3634.41","0.16","295","","295","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","bis(phloroglucinol) tris(2,3,5,6- tetramethylpyrazine)","","- C36 H48 N6 O6 -","- C36 H48 N6 O6 -","- C144 H192 N24 O24 -","4","1","","Cvetkovski, Aleksandar; Bertolasi, Valerio; Ferretti, Valeria","Supramolecular hydrogen-bonding patterns of co-crystals containing the active pharmaceutical ingredient (API) phloroglucinol and <i>N</i>-heterocycles","Acta Crystallographica Section B","2016","72","3","326","334","10.1107/S2052520616004406","","","0.71073","MoKα","","0.1544","0.0708","","","0.1759","0.2264","","","","","","1.058","","","","has coordinates,has Fobs","183628","2020-10-21","18:00:00",""
"2107497","12.6372","0.0004","12.985","0.0004","14.7076","0.0004","77.68","0.001","68.355","0.001","87.319","0.001","2190.24","0.12","150","2","150","2","","","","","","","","7","P -1","-P 1","2","trimer silver complex","","","- C32 H27 Ag2 F12 N10 O6 P5 -","- C32 H27 Ag2 F12 N10 O6 P5 -","- C64 H54 Ag4 F24 N20 O12 P10 -","2","1","","Davarcı, Derya; Gür, Rüştü; Beşli, Serap; Şenkuytu, Elif; Zorlu, Yunus","Silver(I) coordination polymers assembled from flexible cyclotriphosphazene ligand: structures, topologies and investigation of the counteranion effects","Acta Crystallographica Section B","2016","72","3","344","356","10.1107/S2052520616002663","","","0.71073","MoKα","","0.0408","0.038","","","0.0969","0.0987","","","","","","1.013","","","","has coordinates,has Fobs","183630","2020-10-21","18:00:00",""
"2107498","12.7463","0.0004","12.7843","0.0003","14.4175","0.0004","69.521","0.001","77.152","0.001","87.168","0.001","2144.75","0.1","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C32 H27 Ag2 Cl2 N10 O14 P3 -","- C32 H27 Ag2 Cl N10 O10 P3 -","- C64 H54 Ag4 Cl2 N20 O20 P6 -","2","1","","Davarcı, Derya; Gür, Rüştü; Beşli, Serap; Şenkuytu, Elif; Zorlu, Yunus","Silver(I) coordination polymers assembled from flexible cyclotriphosphazene ligand: structures, topologies and investigation of the counteranion effects","Acta Crystallographica Section B","2016","72","3","344","356","10.1107/S2052520616002663","","","0.71073","MoKα","","0.0411","0.0365","","","0.0949","0.0971","","","","","","1.018","","","","has coordinates,has Fobs","183630","2020-10-21","18:00:00",""
"2107499","13.1577","0.001","13.7793","0.0012","18.4731","0.0016","93.043","0.005","104.723","0.004","112.509","0.004","2949.8","0.4","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C51 H45 Ag3 N9 O15 P3 S3 -","- C51 H45 Ag3 N9 O15 P3 S3 -","- C102 H90 Ag6 N18 O30 P6 S6 -","2","1","","Davarcı, Derya; Gür, Rüştü; Beşli, Serap; Şenkuytu, Elif; Zorlu, Yunus","Silver(I) coordination polymers assembled from flexible cyclotriphosphazene ligand: structures, topologies and investigation of the counteranion effects","Acta Crystallographica Section B","2016","72","3","344","356","10.1107/S2052520616002663","","","0.71073","MoKα","","0.0658","0.0392","","","0.0767","0.0832","","","","","","1.063","","","","has coordinates,has Fobs","183630","2020-10-21","18:00:00",""
"2107500","8.1432","0.0008","9.879","0.001","13.567","0.0015","99.386","0.005","99.515","0.005","103.137","0.005","1025.1","0.19","300","2","300","2","","","","","","","","8","P 1","P 1","1","","","","- C32 H27 Ag2 B2 F8 N10 O6 P3 -","- C32 H27 Ag2 B2 F8 N10 O6 P3 -","- C32 H27 Ag2 B2 F8 N10 O6 P3 -","1","1","","Davarcı, Derya; Gür, Rüştü; Beşli, Serap; Şenkuytu, Elif; Zorlu, Yunus","Silver(I) coordination polymers assembled from flexible cyclotriphosphazene ligand: structures, topologies and investigation of the counteranion effects","Acta Crystallographica Section B","2016","72","3","344","356","10.1107/S2052520616002663","","","0.71073","MoKα","","0.0796","0.0748","","","0.2109","0.2174","","","","","","1.11","","","","has coordinates,has Fobs","183630","2020-10-21","18:00:00",""
"2107501","17.9886","0.0003","22.4886","0.0004","7.5366","0.0001","90","","90.522","0.001","90","","3048.72","0.08","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","cyclophosphazene","","","- C30 H24 N9 O6 P3 -","- C30 H24 N9 O6 P3 -","- C120 H96 N36 O24 P12 -","4","1","","Davarcı, Derya; Gür, Rüştü; Beşli, Serap; Şenkuytu, Elif; Zorlu, Yunus","Silver(I) coordination polymers assembled from flexible cyclotriphosphazene ligand: structures, topologies and investigation of the counteranion effects","Acta Crystallographica Section B","2016","72","3","344","356","10.1107/S2052520616002663","","","0.71073","MoKα","","0.038","0.0316","","","0.0836","0.0883","","","","","","1.047","","","","has coordinates,has Fobs","183630","2020-10-21","18:00:00",""
"2107502","8.2988","0.0002","23.5144","0.0007","9.673","0.0003","90","","101.61","0.001","90","","1848.98","0.09","150","2","150","2","","","","","","","","6","P 1 21 1","P 2yb","4","silver complex","","","- C30 H26 Ag2 N11 O13 P3 -","- C30 H26 Ag2 N11 O13 P3 -","- C60 H52 Ag4 N22 O26 P6 -","2","1","","Davarcı, Derya; Gür, Rüştü; Beşli, Serap; Şenkuytu, Elif; Zorlu, Yunus","Silver(I) coordination polymers assembled from flexible cyclotriphosphazene ligand: structures, topologies and investigation of the counteranion effects","Acta Crystallographica Section B","2016","72","3","344","356","10.1107/S2052520616002663","","","0.71073","MoKα","","0.0298","0.0276","","","0.0644","0.0656","","","","","","1.032","","","","has coordinates,has Fobs","183630","2020-10-21","18:00:00",""
"2107503","12.5705","0.0011","12.5705","0.0011","38.213","0.006","90","","90","","120","","5229.3","1","150","2","150","2","","","","","","","","8","R -3","-R 3","148","","","","- C31 H24 Ag F3 N9 O9 P3 S -","- C30 H24 Ag N9 O6 P3 -","- C180 H144 Ag6 N54 O36 P18 -","6","","","Davarcı, Derya; Gür, Rüştü; Beşli, Serap; Şenkuytu, Elif; Zorlu, Yunus","Silver(I) coordination polymers assembled from flexible cyclotriphosphazene ligand: structures, topologies and investigation of the counteranion effects","Acta Crystallographica Section B","2016","72","3","344","356","10.1107/S2052520616002663","","","0.71073","MoKα","","0.0279","0.0252","","","0.0661","0.0679","","","","","","1.063","","","","has coordinates,has Fobs","183630","2020-10-21","18:00:00",""
"2107504","8.476","0.002","9.923","0.002","20.882","0.004","92.5","0.003","93.048","0.003","106.171","0.003","1681.3","0.6","298","","298.15","","","","","","","","","4","P -1","-P 1","2","","","","- C18 H20 N2 O3 -","- C18 H20 N2 O3 -","- C72 H80 N8 O12 -","4","2","AO5008","Prasad, A. Aditya; Kumar, C. Udhaya; Prakasam, B. Arul; Meenakshisundaram, S. P.","Conformational polymorphs of isobutyl-6-amino-5-cyano-2-methyl-4-phenyl-4<i>H</i>-pyran-3-carboxylate: spectroscopic, structural and DFT approach","Acta Crystallographica Section B","2016","72","3","301","309","10.1107/S2052520616003310","","","0.71073","MoKα","","0.0622","0.0509","","","0.1402","0.1527","","","","","","1.0574","","","","has coordinates","183631","2020-10-21","18:00:00",""
"2107505","9.2198","0.0007","9.7844","0.0008","11.7345","0.001","94.456","0.007","103.358","0.007","95.444","0.007","1019.85","0.15","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","6'-amino-2-oxo-3'-propyl-2'H-spiro [indoline-3,4'-pyrano[2,3-c]pyrazole]-5'-carboxylate","","- C19 H21 N5 O3 S -","- C19 H21 N5 O3 S -","- C38 H42 N10 O6 S2 -","2","1","BP5086","Sharma, Sakshi; Brahmachari, Goutam; Kant, Rajni; Gupta, Vivek K.","One-pot green synthesis of biologically relevant novel spiro[indolin-2-one-3,4'-pyrano[2,3-<i>c</i>]pyrazoles] and studies on their spectral and X-ray crystallographic behaviors","Acta Crystallographica Section B","2016","72","3","335","343","10.1107/S2052520616005060","","","0.71073","MoKα","","0.0697","0.0473","","","0.1173","0.1337","","","","","","1.033","","","","has coordinates,has Fobs","183632","2020-10-21","18:00:00",""
"2107506","9.139","0.005","9.877","0.005","12.166","0.005","91.214","0.005","102.681","0.005","95.862","0.005","1064.7","0.9","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","6'-amino-5-fluoro-2-oxo-3'-propyl-2'H-spiro [indoline-3,4'-pyrano[2,3-c]pyrazole]-5'-carboxylate","","- C19 H20 F N5 O3 S -","- C19 H20 F N5 O3 S -","- C38 H40 F2 N10 O6 S2 -","2","1","","Sharma, Sakshi; Brahmachari, Goutam; Kant, Rajni; Gupta, Vivek K.","One-pot green synthesis of biologically relevant novel spiro[indolin-2-one-3,4'-pyrano[2,3-<i>c</i>]pyrazoles] and studies on their spectral and X-ray crystallographic behaviors","Acta Crystallographica Section B","2016","72","3","335","343","10.1107/S2052520616005060","","","0.71073","MoKα","","0.077","0.0537","","","0.1294","0.1469","","","","","","1.018","","","","has coordinates,has Fobs","183632","2020-10-21","18:00:00",""
"2107507","7.6155","0.0006","27.2024","0.0012","16.0187","0.0013","90","","98.988","0.008","90","","3277.7","0.4","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","Methyl 6'-amino,5'-cyano-1-methyl-2-oxo-2'H-spiro [indoline-3,4'-pyrano[2,3-c]pyrazole]-3'-carboxylate","","- C68 H52 N20 O17 -","- C68 H54 N20 O17 -","- C136 H108 N40 O34 -","2","0.25","","Sharma, Sakshi; Brahmachari, Goutam; Kant, Rajni; Gupta, Vivek K.","One-pot green synthesis of biologically relevant novel spiro[indolin-2-one-3,4'-pyrano[2,3-<i>c</i>]pyrazoles] and studies on their spectral and X-ray crystallographic behaviors","Acta Crystallographica Section B","2016","72","3","335","343","10.1107/S2052520616005060","","","0.71073","MoKα","","0.0973","0.0517","","","0.1158","0.1386","","","","","","1.004","","","","has coordinates,has Fobs","194474","2020-10-21","18:00:00",""
"2107508","11.4422","0.00009","4.13054","0.00004","4.449","0.00005","90","","90","","90","","210.271","0.004","100","5","100","5","","","","","","","","2","P n m a","-P 2ac 2n","62","Tin Selenide","","","- Se Sn0.9816 -","- Se Sn0.9816 -","- Se4 Sn3.9264 -","4","0.5","GW5043","Sist, Mattia; Zhang, Jiawei; Brummerstedt Iversen, Bo","Crystal structure and phase transition of thermoelectric SnSe","Acta Crystallographica Section B","2016","72","3","310","316","10.1107/S2052520616003334","powder diffraction","x-ray","0.50023","Synchrotron,monochromatic","","0.0115","0.0115","","0.0109","0.0109","","","","2.3","","","","","","","has coordinates,has Fobs","183633","2020-10-21","18:00:00",""
"2107509","11.46438","0.0001","4.13865","0.00004","4.44651","0.00006","90","","90","","90","","210.974","0.004","200","5","200","5","","","","","","","","2","P n m a","-P 2ac 2n","62","Tin Selenide","","","- Se Sn0.9816 -","- Se Sn0.9816 -","- Se4 Sn3.9264 -","4","0.5","GW5043","Sist, Mattia; Zhang, Jiawei; Brummerstedt Iversen, Bo","Crystal structure and phase transition of thermoelectric SnSe","Acta Crystallographica Section B","2016","72","3","310","316","10.1107/S2052520616003334","powder diffraction","x-ray","0.50023","Synchrotron,monochromatic","","0.0132","0.0132","","0.0124","0.0124","","","","2.41","","","","","","","has coordinates,has Fobs","183633","2020-10-21","18:00:00",""
"2107510","11.48933","0.00012","4.14894","0.00005","4.44118","0.00007","90","","90","","90","","211.705","0.005","275","5","275","5","","","","","","","","2","P n m a","-P 2ac 2n","62","Tin Selenide","","","- Se Sn0.9816 -","- Se Sn0.9816 -","- Se4 Sn3.9264 -","4","0.5","GW5043","Sist, Mattia; Zhang, Jiawei; Brummerstedt Iversen, Bo","Crystal structure and phase transition of thermoelectric SnSe","Acta Crystallographica Section B","2016","72","3","310","316","10.1107/S2052520616003334","powder diffraction","x-ray","0.50023","Synchrotron,monochromatic","","0.0209","0.0209","","0.0167","0.0167","","","","2.46","","","","","","","has coordinates,has Fobs","183633","2020-10-21","18:00:00",""
"2107511","11.49417","0.00012","4.15096","0.00005","4.44175","0.00007","90","","90","","90","","211.924","0.005","300","5","300","5","","","","","","","","2","P n m a","-P 2ac 2n","62","Tin Selenide","","","- Se Sn0.9816 -","- Se Sn0.9816 -","- Se4 Sn3.9264 -","4","0.5","GW5043","Sist, Mattia; Zhang, Jiawei; Brummerstedt Iversen, Bo","Crystal structure and phase transition of thermoelectric SnSe","Acta Crystallographica Section B","2016","72","3","310","316","10.1107/S2052520616003334","powder diffraction","x-ray","0.50021","Synchrotron,monochromatic","","0.0183","0.0183","","0.0152","0.0152","","","","1.59","","","","","","","has coordinates,has Fobs","183633","2020-10-21","18:00:00",""
"2107512","11.51746","0.00014","4.16192","0.00006","4.43267","0.00008","90","","90","","90","","212.479","0.006","370","5","370","5","","","","","","","","2","P n m a","-P 2ac 2n","62","Tin Selenide","","","- Se Sn0.9816 -","- Se Sn0.9816 -","- Se4 Sn3.9264 -","4","0.5","GW5043","Sist, Mattia; Zhang, Jiawei; Brummerstedt Iversen, Bo","Crystal structure and phase transition of thermoelectric SnSe","Acta Crystallographica Section B","2016","72","3","310","316","10.1107/S2052520616003334","powder diffraction","x-ray","0.50023","Synchrotron,monochromatic","","0.0154","0.0154","","0.012","0.012","","","","2.76","","","","","","","has coordinates,has Fobs","183633","2020-10-21","18:00:00",""
"2107513","11.51965","0.00014","4.16265","0.00006","4.43427","0.00008","90","","90","","90","","212.633","0.006","380","5","380","5","","","","","","","","2","P n m a","-P 2ac 2n","62","Tin Selenide","","","- Se Sn0.9816 -","- Se Sn0.9816 -","- Se4 Sn3.9264 -","4","0.5","GW5043","Sist, Mattia; Zhang, Jiawei; Brummerstedt Iversen, Bo","Crystal structure and phase transition of thermoelectric SnSe","Acta Crystallographica Section B","2016","72","3","310","316","10.1107/S2052520616003334","powder diffraction","x-ray","0.50021","Synchrotron,monochromatic","","0.0171","0.0171","","0.0126","0.0126","","","","1.65","","","","","","","has coordinates,has Fobs","183633","2020-10-21","18:00:00",""
"2107514","11.54547","0.00015","4.17619","0.00006","4.42402","0.00009","90","","90","","90","","213.309","0.006","465","5","465","5","","","","","","","","2","P n m a","-P 2ac 2n","62","Tin Selenide","","","- Se Sn0.9816 -","- Se Sn0.9816 -","- Se4 Sn3.9264 -","4","0.5","GW5043","Sist, Mattia; Zhang, Jiawei; Brummerstedt Iversen, Bo","Crystal structure and phase transition of thermoelectric SnSe","Acta Crystallographica Section B","2016","72","3","310","316","10.1107/S2052520616003334","powder diffraction","x-ray","0.50021","Synchrotron,monochromatic","","0.0244","0.0244","","0.0155","0.0155","","","","1.68","","","","","","","has coordinates,has Fobs","183633","2020-10-21","18:00:00",""
"2107515","11.57949","0.00014","4.19611","0.00005","4.40769","0.00008","90","","90","","90","","214.164","0.005","560","5","560","5","","","","","","","","2","P n m a","-P 2ac 2n","62","Tin Selenide","","","- Se Sn0.9816 -","- Se Sn0.9816 -","- Se4 Sn3.9264 -","4","0.5","GW5043","Sist, Mattia; Zhang, Jiawei; Brummerstedt Iversen, Bo","Crystal structure and phase transition of thermoelectric SnSe","Acta Crystallographica Section B","2016","72","3","310","316","10.1107/S2052520616003334","powder diffraction","x-ray","0.50021","Synchrotron,monochromatic","","0.0278","0.0278","","0.015","0.015","","","","1.64","","","","","","","has coordinates,has Fobs","183633","2020-10-21","18:00:00",""
"2107516","11.62","0.00013","4.22357","0.00006","4.38333","0.00007","90","","90","","90","","215.125","0.005","655","5","655","5","","","","","","","","2","P n m a","-P 2ac 2n","62","Tin Selenide","","","- Se Sn0.9816 -","- Se Sn0.9816 -","- Se4 Sn3.9264 -","4","0.5","GW5043","Sist, Mattia; Zhang, Jiawei; Brummerstedt Iversen, Bo","Crystal structure and phase transition of thermoelectric SnSe","Acta Crystallographica Section B","2016","72","3","310","316","10.1107/S2052520616003334","powder diffraction","x-ray","0.50021","Synchrotron,monochromatic","","0.0348","0.0342","","0.015","0.0148","","","","1.75","","","","","","","has coordinates,has Fobs","183633","2020-10-21","18:00:00",""
"2107517","11.64398","0.00013","4.24224","0.00005","4.36522","0.00007","90","","90","","90","","215.627","0.005","705","5","705","5","","","","","","","","2","P n m a","-P 2ac 2n","62","Tin Selenide","","","- Se Sn0.9816 -","- Se Sn0.9816 -","- Se4 Sn3.9264 -","4","0.5","GW5043","Sist, Mattia; Zhang, Jiawei; Brummerstedt Iversen, Bo","Crystal structure and phase transition of thermoelectric SnSe","Acta Crystallographica Section B","2016","72","3","310","316","10.1107/S2052520616003334","powder diffraction","x-ray","0.50021","Synchrotron,monochromatic","","0.0314","0.0307","","0.0132","0.0128","","","","1.81","","","","","","","has coordinates,has Fobs","183633","2020-10-21","18:00:00",""
"2107518","11.67175","0.00014","4.26761","0.00006","4.33976","0.00007","90","","90","","90","","216.166","0.005","755","5","755","5","","","","","","","","2","P n m a","-P 2ac 2n","62","Tin Selenide","","","- Se Sn0.9816 -","- Se Sn0.9816 -","- Se4 Sn3.9264 -","4","0.5","GW5043","Sist, Mattia; Zhang, Jiawei; Brummerstedt Iversen, Bo","Crystal structure and phase transition of thermoelectric SnSe","Acta Crystallographica Section B","2016","72","3","310","316","10.1107/S2052520616003334","powder diffraction","x-ray","0.50021","Synchrotron,monochromatic","","0.0417","0.0381","","0.0146","0.014","","","","1.99","","","","","","","has coordinates,has Fobs","183633","2020-10-21","18:00:00",""
"2107519","11.70577","0.00016","4.30722","0.00016","4.29911","0.00016","90","","90","","90","","216.758","0.012","805","5","805","5","","","","","","","","2","P n m a","-P 2ac 2n","62","Tin Selenide","","","- Se Sn0.9816 -","- Se Sn0.9816 -","- Se4 Sn3.9264 -","4","0.5","GW5043","Sist, Mattia; Zhang, Jiawei; Brummerstedt Iversen, Bo","Crystal structure and phase transition of thermoelectric SnSe","Acta Crystallographica Section B","2016","72","3","310","316","10.1107/S2052520616003334","powder diffraction","x-ray","0.50021","Synchrotron,monochromatic","","0.058","0.0454","","0.0158","0.0156","","","","2.26","","","","","","","has coordinates,has Fobs","183633","2020-10-21","18:00:00",""
"2107520","4.29978","0.00008","11.71878","0.00017","4.31479","0.00008","90","","90","","90","","217.414","0.007","855","5","855","5","","","","","","","","2","C m c m","-C 2c 2","63","Tin Selenide","","","- Se Sn0.9816 -","- Se Sn0.9816 -","- Se4 Sn3.9264 -","4","0.25","GW5043","Sist, Mattia; Zhang, Jiawei; Brummerstedt Iversen, Bo","Crystal structure and phase transition of thermoelectric SnSe","Acta Crystallographica Section B","2016","72","3","310","316","10.1107/S2052520616003334","powder diffraction","x-ray","0.50021","Synchrotron,monochromatic","","0.0315","0.0245","","0.0124","0.0122","","","","2.32","","","","","","","has coordinates,has Fobs","183633","2020-10-21","18:00:00",""
"2107521","3.8992","0.0004","3.8992","0.0004","4.1499","0.0006","90","","90","","90","","63.094","0.013","298","","298","","","","","","","","","3","P 4 m m","P 4 -2","99","","","","- O3 Pb Ti -","- O3 Pb Ti -","- O3 Pb Ti -","1","0.125","BP5087","Yoshiasa, Akira; Nakatani, Tomotaka; Nakatsuka, Akihiko; Okube, Maki; Sugiyama, Kazumasa; Mashimo, Tsutomu","High-temperature single-crystal X-ray diffraction study of tetragonal and cubic perovskite-type PbTiO~3~ phases","Acta Crystallographica Section B","2016","72","3","381","388","10.1107/S2052520616005114","","","0.71069","MoKα","","","0.0363","","","","0.0431","","","","","","1.751","","","","has coordinates,has Fobs","183115","2020-10-21","18:00:00",""
"2107522","3.9043","0.0004","3.9043","0.0004","4.1407","0.0005","90","","90","","90","","63.119","0.012","373","","373","","","","","","","","","3","P 4 m m","P 4 -2","99","","","","- O3 Pb Ti -","- O3 Pb Ti -","- O3 Pb Ti -","1","0.125","","Yoshiasa, Akira; Nakatani, Tomotaka; Nakatsuka, Akihiko; Okube, Maki; Sugiyama, Kazumasa; Mashimo, Tsutomu","High-temperature single-crystal X-ray diffraction study of tetragonal and cubic perovskite-type PbTiO~3~ phases","Acta Crystallographica Section B","2016","72","3","381","388","10.1107/S2052520616005114","","","0.71069","MoKα","","","0.0385","","","","0.0432","","","","","","1.738","","","","has coordinates,has Fobs","183115","2020-10-21","18:00:00",""
"2107523","3.9117","0.0004","3.9117","0.0004","4.1243","0.0006","90","","90","","90","","63.108","0.013","473","","473","","","","","","","","","3","P 4 m m","P 4 -2","99","","","","- O3 Pb Ti -","- O3 Pb Ti -","- O3 Pb Ti -","1","0.125","","Yoshiasa, Akira; Nakatani, Tomotaka; Nakatsuka, Akihiko; Okube, Maki; Sugiyama, Kazumasa; Mashimo, Tsutomu","High-temperature single-crystal X-ray diffraction study of tetragonal and cubic perovskite-type PbTiO~3~ phases","Acta Crystallographica Section B","2016","72","3","381","388","10.1107/S2052520616005114","","","0.71069","MoKα","","","0.0461","","","","0.0501","","","","","","1.784","","","","has coordinates,has Fobs","183115","2020-10-21","18:00:00",""
"2107524","3.9211","0.0005","3.9211","0.0005","4.1025","0.0007","90","","90","","90","","63.076","0.016","573","","573","","","","","","","","","3","P 4 m m","P 4 -2","99","","","","- O3 Pb Ti -","- O3 Pb Ti -","- O3 Pb Ti -","1","0.125","","Yoshiasa, Akira; Nakatani, Tomotaka; Nakatsuka, Akihiko; Okube, Maki; Sugiyama, Kazumasa; Mashimo, Tsutomu","High-temperature single-crystal X-ray diffraction study of tetragonal and cubic perovskite-type PbTiO~3~ phases","Acta Crystallographica Section B","2016","72","3","381","388","10.1107/S2052520616005114","","","0.71069","MoKα","","","0.0436","","","","0.0465","","","","","","1.759","","","","has coordinates,has Fobs","183115","2020-10-21","18:00:00",""
"2107525","3.9339","0.0009","3.9339","0.0009","4.0683","0.0012","90","","90","","90","","62.96","0.03","673","","673","","","","","","","","","3","P 4 m m","P 4 -2","99","","","","- O3 Pb Ti -","- O3 Pb Ti -","- O3 Pb Ti -","1","0.125","","Yoshiasa, Akira; Nakatani, Tomotaka; Nakatsuka, Akihiko; Okube, Maki; Sugiyama, Kazumasa; Mashimo, Tsutomu","High-temperature single-crystal X-ray diffraction study of tetragonal and cubic perovskite-type PbTiO~3~ phases","Acta Crystallographica Section B","2016","72","3","381","388","10.1107/S2052520616005114","","","0.71069","MoKα","","","0.0484","","","","0.0493","","","","","","1.793","","","","has coordinates,has Fobs","183115","2020-10-21","18:00:00",""
"2107526","3.9435","0.0007","3.9435","0.0007","4.0401","0.001","90","","90","","90","","62.83","0.02","723","","723","","","","","","","","","3","P 4 m m","P 4 -2","99","","","","- O3 Pb Ti -","- O3 Pb Ti -","- O3 Pb Ti -","1","0.125","","Yoshiasa, Akira; Nakatani, Tomotaka; Nakatsuka, Akihiko; Okube, Maki; Sugiyama, Kazumasa; Mashimo, Tsutomu","High-temperature single-crystal X-ray diffraction study of tetragonal and cubic perovskite-type PbTiO~3~ phases","Acta Crystallographica Section B","2016","72","3","381","388","10.1107/S2052520616005114","","","0.71069","MoKα","","","0.0463","","","","0.0474","","","","","","1.697","","","","has coordinates,has Fobs","183115","2020-10-21","18:00:00",""
"2107527","3.9474","0.0008","3.9474","0.0008","4.0263","0.001","90","","90","","90","","62.74","0.02","743","","743","","","","","","","","","3","P 4 m m","P 4 -2","99","","","","- O3 Pb Ti -","- O3 Pb Ti -","- O3 Pb Ti -","1","0.125","","Yoshiasa, Akira; Nakatani, Tomotaka; Nakatsuka, Akihiko; Okube, Maki; Sugiyama, Kazumasa; Mashimo, Tsutomu","High-temperature single-crystal X-ray diffraction study of tetragonal and cubic perovskite-type PbTiO~3~ phases","Acta Crystallographica Section B","2016","72","3","381","388","10.1107/S2052520616005114","","","0.71069","MoKα","","","0.0471","","","","0.0556","","","","","","1.645","","","","has coordinates,has Fobs","183115","2020-10-21","18:00:00",""
"2107528","3.9503","0.0009","3.9503","0.0009","4.0161","0.0012","90","","90","","90","","62.67","0.03","753","","753","","","","","","","","","3","P 4 m m","P 4 -2","99","","","","- O3 Pb Ti -","- O3 Pb Ti -","- O3 Pb Ti -","1","0.125","","Yoshiasa, Akira; Nakatani, Tomotaka; Nakatsuka, Akihiko; Okube, Maki; Sugiyama, Kazumasa; Mashimo, Tsutomu","High-temperature single-crystal X-ray diffraction study of tetragonal and cubic perovskite-type PbTiO~3~ phases","Acta Crystallographica Section B","2016","72","3","381","388","10.1107/S2052520616005114","","","0.71069","MoKα","","","0.049","","","","0.055","","","","","","1.695","","","","has coordinates,has Fobs","183115","2020-10-21","18:00:00",""
"2107529","3.9637","0.0007","3.9637","0.0007","3.9637","0.0007","90","","90","","90","","62.273","0.019","758","","758","","","","","","","","","3","P m -3 m","-P 4 2 3","221","","","","- O3 Pb Ti -","- O3 Pb Ti -","- O3 Pb Ti -","1","0.0208333","","Yoshiasa, Akira; Nakatani, Tomotaka; Nakatsuka, Akihiko; Okube, Maki; Sugiyama, Kazumasa; Mashimo, Tsutomu","High-temperature single-crystal X-ray diffraction study of tetragonal and cubic perovskite-type PbTiO~3~ phases","Acta Crystallographica Section B","2016","72","3","381","388","10.1107/S2052520616005114","","","0.71069","MoKα","","","0.0375","","","","0.0327","","","","","","1.5196","","","","has coordinates,has Fobs","183115","2020-10-21","18:00:00",""
"2107530","3.9639","0.0008","3.9639","0.0008","3.9639","0.0008","90","","90","","90","","62.28","0.02","763","","763","","","","","","","","","3","P m -3 m","-P 4 2 3","221","","","","- O3 Pb Ti -","- O3 Pb Ti -","- O3 Pb Ti -","1","0.0208333","","Yoshiasa, Akira; Nakatani, Tomotaka; Nakatsuka, Akihiko; Okube, Maki; Sugiyama, Kazumasa; Mashimo, Tsutomu","High-temperature single-crystal X-ray diffraction study of tetragonal and cubic perovskite-type PbTiO~3~ phases","Acta Crystallographica Section B","2016","72","3","381","388","10.1107/S2052520616005114","","","0.71069","MoKα","","","0.0332","","","","0.0302","","","","","","1.5876","","","","has coordinates,has Fobs","183115","2020-10-21","18:00:00",""
"2107531","3.9646","0.0009","3.9646","0.0009","3.9646","0.0009","90","","90","","90","","62.32","0.02","773","","773","","","","","","","","","3","P m -3 m","-P 4 2 3","221","","","","- O3 Pb Ti -","- O3 Pb Ti -","- O3 Pb Ti -","1","0.0208333","","Yoshiasa, Akira; Nakatani, Tomotaka; Nakatsuka, Akihiko; Okube, Maki; Sugiyama, Kazumasa; Mashimo, Tsutomu","High-temperature single-crystal X-ray diffraction study of tetragonal and cubic perovskite-type PbTiO~3~ phases","Acta Crystallographica Section B","2016","72","3","381","388","10.1107/S2052520616005114","","","0.71069","MoKα","","","0.036","","","","0.0317","","","","","","1.6135","","","","has coordinates,has Fobs","183115","2020-10-21","18:00:00",""
"2107532","3.9674","0.0008","3.9674","0.0008","3.9674","0.0008","90","","90","","90","","62.45","0.02","823","","823","","","","","","","","","3","P m -3 m","-P 4 2 3","221","","","","- O3 Pb Ti -","- O3 Pb Ti -","- O3 Pb Ti -","1","0.0208333","","Yoshiasa, Akira; Nakatani, Tomotaka; Nakatsuka, Akihiko; Okube, Maki; Sugiyama, Kazumasa; Mashimo, Tsutomu","High-temperature single-crystal X-ray diffraction study of tetragonal and cubic perovskite-type PbTiO~3~ phases","Acta Crystallographica Section B","2016","72","3","381","388","10.1107/S2052520616005114","","","0.71069","MoKα","","","0.0394","","","","0.0335","","","","","","1.5741","","","","has coordinates,has Fobs","183115","2020-10-21","18:00:00",""
"2107533","3.9702","0.0009","3.9702","0.0009","3.9702","0.0009","90","","90","","90","","62.58","0.02","873","","873","","","","","","","","","3","P m -3 m","-P 4 2 3","221","","","","- O3 Pb Ti -","- O3 Pb Ti -","- O3 Pb Ti -","1","0.0208333","","Yoshiasa, Akira; Nakatani, Tomotaka; Nakatsuka, Akihiko; Okube, Maki; Sugiyama, Kazumasa; Mashimo, Tsutomu","High-temperature single-crystal X-ray diffraction study of tetragonal and cubic perovskite-type PbTiO~3~ phases","Acta Crystallographica Section B","2016","72","3","381","388","10.1107/S2052520616005114","","","0.71069","MoKα","","","0.041","","","","0.0357","","","","","","1.5235","","","","has coordinates,has Fobs","183115","2020-10-21","18:00:00",""
"2107534","3.9734","0.0009","3.9734","0.0009","3.9734","0.0009","90","","90","","90","","62.73","0.02","923","","923","","","","","","","","","3","P m -3 m","-P 4 2 3","221","","","","- O3 Pb Ti -","- O3 Pb Ti -","- O3 Pb Ti -","1","0.0208333","","Yoshiasa, Akira; Nakatani, Tomotaka; Nakatsuka, Akihiko; Okube, Maki; Sugiyama, Kazumasa; Mashimo, Tsutomu","High-temperature single-crystal X-ray diffraction study of tetragonal and cubic perovskite-type PbTiO~3~ phases","Acta Crystallographica Section B","2016","72","3","381","388","10.1107/S2052520616005114","","","0.71069","MoKα","","","0.0571","","","","0.0504","","","","","","1.6498","","","","has coordinates,has Fobs","183115","2020-10-21","18:00:00",""
"2107535","11.7955","0.0011","4.768","0.0004","16.1261","0.0014","90","","99.354","0.007","90","","894.89","0.14","100","2","100.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C26 H12 N4 O2 -","- C26 H12 N4 O2 -","- C52 H24 N8 O4 -","2","0.5","BI5048","Teteruk, Jaroslav L.; Glinnemann, Jürgen; Heyse, Winfried; Johansson, Kristoffer E.; van de Streek, Jacco; Schmidt, Martin U.","Local structure in the disordered solid solution of <i>cis</i>- and <i>trans</i>-perinones","Acta Crystallographica Section B","2016","72","3","416","433","10.1107/S2052520616004972","","","1.54186","CuKα","","0.1137","0.0838","","","0.2143","0.2463","","","","","","1.094","","","","has coordinates,has disorder,has Fobs","183116","2020-10-21","18:00:00",""
"2107536","11.808","0.003","4.8032","0.001","16.246","0.004","90","","99.002","0.009","90","","910.1","0.4","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","perinone","","","- C26 H12 N4 O2 -","- C26 H12 N4 O2 -","- C52 H24 N8 O4 -","2","0.5","BI5048","Teteruk, Jaroslav L.; Glinnemann, Jürgen; Heyse, Winfried; Johansson, Kristoffer E.; van de Streek, Jacco; Schmidt, Martin U.","Local structure in the disordered solid solution of <i>cis</i>- and <i>trans</i>-perinones","Acta Crystallographica Section B","2016","72","3","416","433","10.1107/S2052520616004972","","","1.54178","CuKα","","0.0649","0.0478","","","0.118","0.1278","","","","","","1.067","","","","has coordinates,has disorder,has Fobs","183116","2020-10-21","18:00:00",""
"2107537","11.798","0.0016","4.8049","0.0006","16.239","0.002","90","","99.021","0.002","90","","909.2","0.2","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Vat Red 14","","","- C26 H12 N4 O2 -","- C26 H12 N4 O2 -","- C52 H24 N8 O4 -","2","0.5","BI5048","Teteruk, Jaroslav L.; Glinnemann, Jürgen; Heyse, Winfried; Johansson, Kristoffer E.; van de Streek, Jacco; Schmidt, Martin U.","Local structure in the disordered solid solution of <i>cis</i>- and <i>trans</i>-perinones","Acta Crystallographica Section B","2016","72","3","416","433","10.1107/S2052520616004972","","","0.71073","MoKα","","0.1361","0.0675","","","0.1374","0.1751","","","","","","1.148","","","","has coordinates,has disorder","183116","2020-10-21","18:00:00",""
"2107538","7.6231","0.0004","7.6231","0.0004","32.358","0.003","90","","90","","90","","1880.4","0.2","309","","309","","","","","","","","","2","I 41/a m d :2","-I 4bd 2","141","Indium Sulphide","","","- In31.14 S48 -","- In31.144 S48 -","- In31.144 S48 -","1","0.03125","YB5011","Pistor, Paul; Merino Álvarez, Jose M.; León, Máximo; di Michiel, Marco; Schorr, Susan; Klenk, Reiner; Lehmann, Sebastian","Structure reinvestigation of α-, β- and γ-In~2~S~3~","Acta Crystallographica Section B","2016","72","3","410","415","10.1107/S2052520616007058","powder diffraction","","0.14276","synchrotron","","","","","","","","","0.013751","3.2326","","","","","","","has coordinates,has Fobs","183117","2020-10-21","18:00:00",""
"2107539","10.8315","0.0002","10.8315","0.0002","10.8315","0.0002","90","","90","","90","","1270.77","0.04","749","","749","","","","","","","","","2","F d -3 m :2","-F 4vw 2vw 3","227","Indium Sulphide","","","- In20.77 S32 -","- In20.768 S32 -","- In20.768 S32 -","1","0.00520833","YB5011","Pistor, Paul; Merino Álvarez, Jose M.; León, Máximo; di Michiel, Marco; Schorr, Susan; Klenk, Reiner; Lehmann, Sebastian","Structure reinvestigation of α-, β- and γ-In~2~S~3~","Acta Crystallographica Section B","2016","72","3","410","415","10.1107/S2052520616007058","powder diffraction","","0.14276","synchrotron","","","","","","","","","0.016898","2.8036","","","","","","","has coordinates,has Fobs","183117","2020-10-21","18:00:00",""
"2107540","3.86564","0.00014","3.86564","0.00014","9.1569","0.0005","90","","90","","120","","118.501","0.009","1099","","1099","","","","","","","","","2","P -3 m 1","-P 3 2""","164","Indium Sulphide","","","- In1.95 S3 -","- In1.946 S3 -","- In1.946 S3 -","1","0.0833333","YB5011","Pistor, Paul; Merino Álvarez, Jose M.; León, Máximo; di Michiel, Marco; Schorr, Susan; Klenk, Reiner; Lehmann, Sebastian","Structure reinvestigation of α-, β- and γ-In~2~S~3~","Acta Crystallographica Section B","2016","72","3","410","415","10.1107/S2052520616007058","powder diffraction","","0.14276","synchrotron","","","","","","","","","0.027529","3.302","","","","","","","has coordinates,has Fobs","183117","2020-10-21","18:00:00",""
"2107541","8.4502","0.0004","12.1807","0.0005","10.3745","0.0004","90","","105.125","0.004","90","","1030.85","0.08","298","2","298","","100","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C6 H12 Cl2 O Pd S2 -","- C6 H12 Cl2 O Pd S2 -","- C24 H48 Cl8 O4 Pd4 S8 -","4","1","XK5029","Tidey, Jeremiah P.; Wong, Henry L. S.; McMaster, Jonathan; Schröder, Martin; Blake, Alexander J.","High-pressure studies of three polymorphs of a palladium(II) oxathioether macrocyclic complex","Acta Crystallographica Section B","2016","72","3","357","371","10.1107/S2052520616007435","","","0.71073","MoKα","","0.078","0.0475","","","0.0755","0.0938","","","","","","1.039","","","","has coordinates,has Fobs","183118","2020-10-21","18:00:00",""
"2107542","8.479","0.013","12.163","0.002","10.311","0.008","90","","105.08","0.13","90","","1026.8","1.9","298","2","298","","100","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C6 H12 Cl2 O Pd S2 -","- C6 H12 Cl2 O Pd S2 -","- C24 H48 Cl8 O4 Pd4 S8 -","4","1","","Tidey, Jeremiah P.; Wong, Henry L. S.; McMaster, Jonathan; Schröder, Martin; Blake, Alexander J.","High-pressure studies of three polymorphs of a palladium(II) oxathioether macrocyclic complex","Acta Crystallographica Section B","2016","72","3","357","371","10.1107/S2052520616007435","","","0.71073","MoKα","","0.0794","0.0609","","","0.1463","0.1666","","","","","","1.085","","","","has coordinates,has Fobs","183118","2020-10-21","18:00:00",""
"2107543","8.392","0.002","11.9978","0.0002","10.225","0.003","90","","105.16","0.03","90","","993.7","0.4","293","2","293","2","500000","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C6 H12 Cl2 O Pd S2 -","- C6 H12 Cl2 O Pd S2 -","- C24 H48 Cl8 O4 Pd4 S8 -","4","1","","Tidey, Jeremiah P.; Wong, Henry L. S.; McMaster, Jonathan; Schröder, Martin; Blake, Alexander J.","High-pressure studies of three polymorphs of a palladium(II) oxathioether macrocyclic complex","Acta Crystallographica Section B","2016","72","3","357","371","10.1107/S2052520616007435","","","0.71073","MoKα","","0.0213","0.0174","","","0.0367","0.0381","","","","","","1.111","","","","has coordinates,has Fobs","183118","2020-10-21","18:00:00",""
"2107544","8.295","0.008","11.7449","0.0008","10.028","0.009","90","","105.04","0.12","90","","943.5","1.4","293","2","293","2","1710000","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C6 H12 Cl2 O Pd S2 -","- C6 H12 Cl2 O Pd S2 -","- C24 H48 Cl8 O4 Pd4 S8 -","4","1","","Tidey, Jeremiah P.; Wong, Henry L. S.; McMaster, Jonathan; Schröder, Martin; Blake, Alexander J.","High-pressure studies of three polymorphs of a palladium(II) oxathioether macrocyclic complex","Acta Crystallographica Section B","2016","72","3","357","371","10.1107/S2052520616007435","","","0.71073","MoKα","","0.0709","0.0609","","","0.1427","0.1559","","","","","","1.095","","","","has coordinates,has Fobs","183118","2020-10-21","18:00:00",""
"2107545","8.19","0.003","11.534","0.0003","9.868","0.003","90","","105.27","0.04","90","","899.3","0.5","293","2","293","2","3220000","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C6 H12 Cl2 O Pd S2 -","- C6 H12 Cl2 O Pd S2 -","- C24 H48 Cl8 O4 Pd4 S8 -","4","1","","Tidey, Jeremiah P.; Wong, Henry L. S.; McMaster, Jonathan; Schröder, Martin; Blake, Alexander J.","High-pressure studies of three polymorphs of a palladium(II) oxathioether macrocyclic complex","Acta Crystallographica Section B","2016","72","3","357","371","10.1107/S2052520616007435","","","0.71073","MoKα","","0.0252","0.0197","","","0.0378","0.0392","","","","","","1.072","","","","has coordinates,has Fobs","183118","2020-10-21","18:00:00",""
"2107546","8.109","0.002","11.3526","0.0002","9.743","0.002","90","","105.22","0.03","90","","865.5","0.3","293","2","293","2","4650000","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C6 H12 Cl2 O Pd S2 -","- C6 H12 Cl2 O Pd S2 -","- C24 H48 Cl8 O4 Pd4 S8 -","4","1","","Tidey, Jeremiah P.; Wong, Henry L. S.; McMaster, Jonathan; Schröder, Martin; Blake, Alexander J.","High-pressure studies of three polymorphs of a palladium(II) oxathioether macrocyclic complex","Acta Crystallographica Section B","2016","72","3","357","371","10.1107/S2052520616007435","","","0.71073","MoKα","","0.023","0.0196","","","0.0385","0.0398","","","","","","1.119","","","","has coordinates,has Fobs","183118","2020-10-21","18:00:00",""
"2107547","8.062","0.002","11.2548","0.0002","9.673","0.002","90","","105.24","0.03","90","","846.8","0.3","293","2","293","2","5520000","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C6 H12 Cl2 O Pd S2 -","- C6 H12 Cl2 O Pd S2 -","- C24 H48 Cl8 O4 Pd4 S8 -","4","1","","Tidey, Jeremiah P.; Wong, Henry L. S.; McMaster, Jonathan; Schröder, Martin; Blake, Alexander J.","High-pressure studies of three polymorphs of a palladium(II) oxathioether macrocyclic complex","Acta Crystallographica Section B","2016","72","3","357","371","10.1107/S2052520616007435","","","0.71073","MoKα","","0.0206","0.0175","","","0.039","0.0404","","","","","","1.047","","","","has coordinates,has Fobs","183118","2020-10-21","18:00:00",""
"2107548","7.972","0.002","11.07662","0.00019","9.548","0.002","90","","105.3","0.03","90","","813.2","0.3","293","2","293","2","7920000","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C6 H12 Cl2 O Pd S2 -","- C6 H12 Cl2 O Pd S2 -","- C24 H48 Cl8 O4 Pd4 S8 -","4","1","","Tidey, Jeremiah P.; Wong, Henry L. S.; McMaster, Jonathan; Schröder, Martin; Blake, Alexander J.","High-pressure studies of three polymorphs of a palladium(II) oxathioether macrocyclic complex","Acta Crystallographica Section B","2016","72","3","357","371","10.1107/S2052520616007435","","","0.71073","MoKα","","0.0216","0.0184","","","0.0386","0.0395","","","","","","1.101","","","","has coordinates,has Fobs","183118","2020-10-21","18:00:00",""
"2107549","7.933","0.002","11.0001","0.0002","9.493","0.002","90","","105.31","0.03","90","","799","0.3","293","2","293","2","8960000","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C6 H12 Cl2 O Pd S2 -","- C6 H12 Cl2 O Pd S2 -","- C24 H48 Cl8 O4 Pd4 S8 -","4","1","","Tidey, Jeremiah P.; Wong, Henry L. S.; McMaster, Jonathan; Schröder, Martin; Blake, Alexander J.","High-pressure studies of three polymorphs of a palladium(II) oxathioether macrocyclic complex","Acta Crystallographica Section B","2016","72","3","357","371","10.1107/S2052520616007435","","","0.71073","MoKα","","0.0241","0.0197","","","0.043","0.0447","","","","","","1.066","","","","has coordinates,has Fobs","183118","2020-10-21","18:00:00",""
"2107550","7.884","0.003","10.9566","0.0003","9.442","0.003","90","","105.62","0.04","90","","785.5","0.4","293","2","293","2","10340000","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C6 H12 Cl2 O Pd S2 -","- C6 H12 Cl2 O Pd S2 -","- C24 H48 Cl8 O4 Pd4 S8 -","4","1","","Tidey, Jeremiah P.; Wong, Henry L. S.; McMaster, Jonathan; Schröder, Martin; Blake, Alexander J.","High-pressure studies of three polymorphs of a palladium(II) oxathioether macrocyclic complex","Acta Crystallographica Section B","2016","72","3","357","371","10.1107/S2052520616007435","","","0.71073","MoKα","","0.021","0.0162","","","0.0374","0.0403","","","","","","1.12","","","","has coordinates,has Fobs","183118","2020-10-21","18:00:00",""
"2107551","7.818","0.01","10.9711","0.0012","9.364","0.01","90","","106.24","0.14","90","","771.1","1.4","293","2","293","2","11780000","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C6 H12 Cl2 O Pd S2 -","- C6 H12 Cl2 O Pd S2 -","- C24 H48 Cl8 O4 Pd4 S8 -","4","1","","Tidey, Jeremiah P.; Wong, Henry L. S.; McMaster, Jonathan; Schröder, Martin; Blake, Alexander J.","High-pressure studies of three polymorphs of a palladium(II) oxathioether macrocyclic complex","Acta Crystallographica Section B","2016","72","3","357","371","10.1107/S2052520616007435","","","0.71073","MoKα","","0.0247","0.0191","","","0.0375","0.0409","","","","","","1.072","","","","has coordinates,has Fobs","183118","2020-10-21","18:00:00",""
"2107552","7.74","0.019","11.002","0.002","9.32","0.02","90","","106.6","0.3","90","","761","3","293","2","293","2","12710000","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C6 H12 Cl2 O Pd S2 -","- C6 H12 Cl2 O Pd S2 -","- C24 H48 Cl8 O4 Pd4 S8 -","4","1","","Tidey, Jeremiah P.; Wong, Henry L. S.; McMaster, Jonathan; Schröder, Martin; Blake, Alexander J.","High-pressure studies of three polymorphs of a palladium(II) oxathioether macrocyclic complex","Acta Crystallographica Section B","2016","72","3","357","371","10.1107/S2052520616007435","","","0.71073","MoKα","","0.0425","0.0291","","","0.057","0.0638","","","","","","1.096","","","","has coordinates,has Fobs","183118","2020-10-21","18:00:00",""
"2107553","7.75","0.03","10.971","0.004","9.32","0.03","90","","105.9","0.4","90","","762","4","293","2","293","2","13560000","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C6 H12 Cl2 O Pd S2 -","- C6 H12 Cl2 O Pd S2 -","- C24 H48 Cl8 O4 Pd4 S8 -","4","1","","Tidey, Jeremiah P.; Wong, Henry L. S.; McMaster, Jonathan; Schröder, Martin; Blake, Alexander J.","High-pressure studies of three polymorphs of a palladium(II) oxathioether macrocyclic complex","Acta Crystallographica Section B","2016","72","3","357","371","10.1107/S2052520616007435","","","0.71073","MoKα","","0.0964","0.0692","","","0.1635","0.1886","","","","","","1.091","","","","has coordinates,has Fobs","183118","2020-10-21","18:00:00",""
"2107554","9.3451","0.0004","12.6701","0.0005","9.0724","0.0004","90","","92.424","0.004","90","","1073.24","0.08","293","2","293","2","100","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C6 H12 Cl2 O Pd S2 -","- C6 H12 Cl2 O Pd S2 -","- C24 H48 Cl8 O4 Pd4 S8 -","4","1","","Tidey, Jeremiah P.; Wong, Henry L. S.; McMaster, Jonathan; Schröder, Martin; Blake, Alexander J.","High-pressure studies of three polymorphs of a palladium(II) oxathioether macrocyclic complex","Acta Crystallographica Section B","2016","72","3","357","371","10.1107/S2052520616007435","","","0.71073","MoKα","","0.0445","0.0332","","","0.0601","0.0673","","","","","","1.026","","","","has coordinates,has Fobs","183118","2020-10-21","18:00:00",""
"2107555","9.3358","0.0005","12.6654","0.0014","9.0617","0.0015","90","","92.354","0.007","90","","1070.6","0.2","293","2","293","2","100","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C6 H12 Cl2 O Pd S2 -","- C6 H12 Cl2 O Pd S2 -","- C24 H48 Cl8 O4 Pd4 S8 -","4","1","","Tidey, Jeremiah P.; Wong, Henry L. S.; McMaster, Jonathan; Schröder, Martin; Blake, Alexander J.","High-pressure studies of three polymorphs of a palladium(II) oxathioether macrocyclic complex","Acta Crystallographica Section B","2016","72","3","357","371","10.1107/S2052520616007435","","","0.71073","MoKα","","0.0538","0.0315","","","0.0522","0.0587","","","","","","1.096","","","","has coordinates,has Fobs","183118","2020-10-21","18:00:00",""
"2107556","9.1483","0.0003","12.4808","0.0008","8.9285","0.0009","90","","92.806","0.004","90","","1018.22","0.13","293","2","293","2","830000","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C6 H12 Cl2 O Pd S2 -","- C6 H12 Cl2 O Pd S2 -","- C24 H48 Cl8 O4 Pd4 S8 -","4","1","","Tidey, Jeremiah P.; Wong, Henry L. S.; McMaster, Jonathan; Schröder, Martin; Blake, Alexander J.","High-pressure studies of three polymorphs of a palladium(II) oxathioether macrocyclic complex","Acta Crystallographica Section B","2016","72","3","357","371","10.1107/S2052520616007435","","","0.71073","MoKα","","0.0454","0.0304","","","0.059","0.0636","","","","","","1.092","","","","has coordinates,has Fobs","183118","2020-10-21","18:00:00",""
"2107557","9.0373","0.0004","12.3612","0.001","8.8401","0.0011","90","","93.133","0.006","90","","986.07","0.15","293","2","293","2","1410000","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C6 H12 Cl2 O Pd S2 -","- C6 H12 Cl2 O Pd S2 -","- C24 H48 Cl8 O4 Pd4 S8 -","4","1","","Tidey, Jeremiah P.; Wong, Henry L. S.; McMaster, Jonathan; Schröder, Martin; Blake, Alexander J.","High-pressure studies of three polymorphs of a palladium(II) oxathioether macrocyclic complex","Acta Crystallographica Section B","2016","72","3","357","371","10.1107/S2052520616007435","","","0.71073","MoKα","","0.0459","0.0301","","","0.058","0.0633","","","","","","1.101","","","","has coordinates,has Fobs","183118","2020-10-21","18:00:00",""
"2107558","8.8358","0.0002","12.1339","0.0006","8.663","0.0006","90","","93.684","0.003","90","","926.86","0.08","293","2","293","2","3090000","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C6 H12 Cl2 O Pd S2 -","- C6 H12 Cl2 O Pd S2 -","- C24 H48 Cl8 O4 Pd4 S8 -","4","1","","Tidey, Jeremiah P.; Wong, Henry L. S.; McMaster, Jonathan; Schröder, Martin; Blake, Alexander J.","High-pressure studies of three polymorphs of a palladium(II) oxathioether macrocyclic complex","Acta Crystallographica Section B","2016","72","3","357","371","10.1107/S2052520616007435","","","0.71073","MoKα","","0.0374","0.0273","","","0.0545","0.0581","","","","","","1.105","","","","has coordinates,has Fobs","183118","2020-10-21","18:00:00",""
"2107559","8.7266","0.0002","12.0004","0.0006","8.552","0.0006","90","","94.034","0.004","90","","893.37","0.08","293","2","293","2","4350000","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C6 H12 Cl2 O Pd S2 -","- C6 H12 Cl2 O Pd S2 -","- C24 H48 Cl8 O4 Pd4 S8 -","4","1","","Tidey, Jeremiah P.; Wong, Henry L. S.; McMaster, Jonathan; Schröder, Martin; Blake, Alexander J.","High-pressure studies of three polymorphs of a palladium(II) oxathioether macrocyclic complex","Acta Crystallographica Section B","2016","72","3","357","371","10.1107/S2052520616007435","","","0.71073","MoKα","","0.0367","0.0267","","","0.0529","0.0564","","","","","","1.062","","","","has coordinates,has Fobs","183118","2020-10-21","18:00:00",""
"2107560","8.634","0.0002","11.8759","0.0007","8.4516","0.0008","90","","94.371","0.004","90","","864.08","0.1","293","2","293","2","5750000","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C6 H12 Cl2 O Pd S2 -","- C6 H12 Cl2 O Pd S2 -","- C24 H48 Cl8 O4 Pd4 S8 -","4","1","","Tidey, Jeremiah P.; Wong, Henry L. S.; McMaster, Jonathan; Schröder, Martin; Blake, Alexander J.","High-pressure studies of three polymorphs of a palladium(II) oxathioether macrocyclic complex","Acta Crystallographica Section B","2016","72","3","357","371","10.1107/S2052520616007435","","","0.71073","MoKα","","0.0365","0.0269","","","0.0604","0.0637","","","","","","1.106","","","","has coordinates,has Fobs","183118","2020-10-21","18:00:00",""
"2107561","8.62696","0.00019","11.8642","0.0006","8.4365","0.0006","90","","94.402","0.003","90","","860.95","0.08","293","2","293","2","6050000","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C6 H12 Cl2 O Pd S2 -","- C6 H12 Cl2 O Pd S2 -","- C24 H48 Cl8 O4 Pd4 S8 -","4","1","","Tidey, Jeremiah P.; Wong, Henry L. S.; McMaster, Jonathan; Schröder, Martin; Blake, Alexander J.","High-pressure studies of three polymorphs of a palladium(II) oxathioether macrocyclic complex","Acta Crystallographica Section B","2016","72","3","357","371","10.1107/S2052520616007435","","","0.71073","MoKα","","0.038","0.0292","","","0.0632","0.0664","","","","","","1.125","","","","has coordinates,has Fobs","183118","2020-10-21","18:00:00",""
"2107562","8.5993","0.0002","11.8196","0.0006","8.4004","0.0006","90","","94.507","0.003","90","","851.18","0.08","293","2","293","2","6540000","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C6 H12 Cl2 O Pd S2 -","- C6 H12 Cl2 O Pd S2 -","- C24 H48 Cl8 O4 Pd4 S8 -","4","1","","Tidey, Jeremiah P.; Wong, Henry L. S.; McMaster, Jonathan; Schröder, Martin; Blake, Alexander J.","High-pressure studies of three polymorphs of a palladium(II) oxathioether macrocyclic complex","Acta Crystallographica Section B","2016","72","3","357","371","10.1107/S2052520616007435","","","0.71073","MoKα","","0.0383","0.0291","","","0.0627","0.0674","","","","","","1.067","","","","has coordinates,has Fobs","183118","2020-10-21","18:00:00",""
"2107563","8.5935","0.0002","11.8028","0.0006","8.3867","0.0006","90","","94.545","0.003","90","","847.97","0.08","293","2","293","2","6810000","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C6 H12 Cl2 O Pd S2 -","- C6 H12 Cl2 O Pd S2 -","- C24 H48 Cl8 O4 Pd4 S8 -","4","1","","Tidey, Jeremiah P.; Wong, Henry L. S.; McMaster, Jonathan; Schröder, Martin; Blake, Alexander J.","High-pressure studies of three polymorphs of a palladium(II) oxathioether macrocyclic complex","Acta Crystallographica Section B","2016","72","3","357","371","10.1107/S2052520616007435","","","0.71073","MoKα","","0.0489","0.0288","","","0.0642","0.0716","","","","","","1.107","","","","has coordinates,has Fobs","183118","2020-10-21","18:00:00",""
"2107564","12.4719","0.0006","11.7861","0.0008","18.2203","0.0014","90","","108.659","0.007","90","","2537.5","0.3","293","2","293","2","6870000","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C6 H12 Cl2 O Pd S2 -","- C6 H12 Cl2 O Pd S2 -","- C72 H144 Cl24 O12 Pd12 S24 -","12","3","","Tidey, Jeremiah P.; Wong, Henry L. S.; McMaster, Jonathan; Schröder, Martin; Blake, Alexander J.","High-pressure studies of three polymorphs of a palladium(II) oxathioether macrocyclic complex","Acta Crystallographica Section B","2016","72","3","357","371","10.1107/S2052520616007435","","","0.71073","MoKα","","0.1331","0.0695","","","0.1332","0.1661","","","","","","1.044","","","","has coordinates,has disorder,has Fobs","211332","2020-10-21","18:00:00",""
"2107565","12.4621","0.0007","11.7356","0.0008","18.1595","0.0015","90","","108.791","0.007","90","","2514.3","0.3","293","2","293","2","7140000","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C6 H12 Cl2 O Pd S2 -","- C6 H12 Cl2 O Pd S2 -","- C72 H144 Cl24 O12 Pd12 S24 -","12","3","","Tidey, Jeremiah P.; Wong, Henry L. S.; McMaster, Jonathan; Schröder, Martin; Blake, Alexander J.","High-pressure studies of three polymorphs of a palladium(II) oxathioether macrocyclic complex","Acta Crystallographica Section B","2016","72","3","357","371","10.1107/S2052520616007435","","","0.71073","MoKα","","0.1514","0.1102","","","0.2821","0.3234","","","","","","1.166","","","","has coordinates,has disorder,has Fobs","183118","2020-10-21","18:00:00",""
"2107566","12.4107","0.0005","11.6668","0.0007","18.0201","0.0013","90","","108.898","0.006","90","","2468.5","0.3","293","2","293","2","8040000","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C6 H12 Cl2 O Pd S2 -","- C6 H12 Cl2 O Pd S2 -","- C72 H144 Cl24 O12 Pd12 S24 -","12","3","","Tidey, Jeremiah P.; Wong, Henry L. S.; McMaster, Jonathan; Schröder, Martin; Blake, Alexander J.","High-pressure studies of three polymorphs of a palladium(II) oxathioether macrocyclic complex","Acta Crystallographica Section B","2016","72","3","357","371","10.1107/S2052520616007435","","","0.71073","MoKα","","0.1542","0.1121","","","0.2827","0.327","","","","","","1.183","","","","has coordinates,has disorder,has Fobs","183118","2020-10-21","18:00:00",""
"2107567","12.3419","0.0006","11.5743","0.0007","17.8001","0.0013","90","","108.924","0.006","90","","2405.3","0.3","293","2","293","2","9740000","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C6 H12 Cl2 O Pd S2 -","- C6 H12 Cl2 O Pd S2 -","- C72 H144 Cl24 O12 Pd12 S24 -","12","3","","Tidey, Jeremiah P.; Wong, Henry L. S.; McMaster, Jonathan; Schröder, Martin; Blake, Alexander J.","High-pressure studies of three polymorphs of a palladium(II) oxathioether macrocyclic complex","Acta Crystallographica Section B","2016","72","3","357","371","10.1107/S2052520616007435","","","0.71073","MoKα","","0.1477","0.1171","","","0.2922","0.3269","","","","","","1.25","","","","has coordinates,has disorder,has Fobs","183118","2020-10-21","18:00:00",""
"2107568","12.2228","0.0007","11.4444","0.0009","17.6137","0.0016","90","","108.705","0.008","90","","2333.7","0.3","293","2","293","2","11980000","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C6 H12 Cl2 O Pd S2 -","- C6 H12 Cl2 O Pd S2 -","- C72 H144 Cl24 O12 Pd12 S24 -","12","3","","Tidey, Jeremiah P.; Wong, Henry L. S.; McMaster, Jonathan; Schröder, Martin; Blake, Alexander J.","High-pressure studies of three polymorphs of a palladium(II) oxathioether macrocyclic complex","Acta Crystallographica Section B","2016","72","3","357","371","10.1107/S2052520616007435","","","0.71073","MoKα","","0.1547","0.0695","","","0.1307","0.1734","","","","","","1.059","","","","has coordinates,has disorder,has Fobs","183118","2020-10-21","18:00:00",""
"2107569","7.02123","0.00016","11.402","0.0003","13.3817","0.0003","90","","96.785","0.002","90","","1063.78","0.04","293","2","293","2","100","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C6 H12 Cl2 O Pd S2 -","- C6 H12 Cl2 O Pd S2 -","- C24 H48 Cl8 O4 Pd4 S8 -","4","1","","Tidey, Jeremiah P.; Wong, Henry L. S.; McMaster, Jonathan; Schröder, Martin; Blake, Alexander J.","High-pressure studies of three polymorphs of a palladium(II) oxathioether macrocyclic complex","Acta Crystallographica Section B","2016","72","3","357","371","10.1107/S2052520616007435","","","0.71073","MoKα","","0.0592","0.0373","","","0.0737","0.0839","","","","","","1.049","","","","has coordinates,has Fobs","183118","2020-10-21","18:00:00",""
"2107570","7.0336","0.0007","11.384","0.012","13.4002","0.0014","90","","96.765","0.009","90","","1065.5","1.1","293","2","293","2","100","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C6 H12 Cl2 O Pd S2 -","- C6 H12 Cl2 O Pd S2 -","- C24 H48 Cl8 O4 Pd4 S8 -","4","1","","Tidey, Jeremiah P.; Wong, Henry L. S.; McMaster, Jonathan; Schröder, Martin; Blake, Alexander J.","High-pressure studies of three polymorphs of a palladium(II) oxathioether macrocyclic complex","Acta Crystallographica Section B","2016","72","3","357","371","10.1107/S2052520616007435","","","0.71073","MoKα","","0.0974","0.051","","","0.086","0.0991","","","","","","1.165","","","","has coordinates,has Fobs","183118","2020-10-21","18:00:00",""
"2107571","6.8903","0.0006","11.047","0.01","13.0243","0.0011","90","","97.505","0.008","90","","982.9","0.9","293","2","293","2","1160000","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C6 H12 Cl2 O Pd S2 -","- C6 H12 Cl2 O Pd S2 -","- C24 H48 Cl8 O4 Pd4 S8 -","4","1","","Tidey, Jeremiah P.; Wong, Henry L. S.; McMaster, Jonathan; Schröder, Martin; Blake, Alexander J.","High-pressure studies of three polymorphs of a palladium(II) oxathioether macrocyclic complex","Acta Crystallographica Section B","2016","72","3","357","371","10.1107/S2052520616007435","","","0.71073","MoKα","","0.088","0.0493","","","0.0931","0.1067","","","","","","1.098","","","","has coordinates,has Fobs","183118","2020-10-21","18:00:00",""
"2107572","6.7997","0.0005","10.861","0.009","12.8446","0.0008","90","","97.677","0.006","90","","940.1","0.8","293","2","293","2","1910000","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C6 H12 Cl2 O Pd S2 -","- C6 H12 Cl2 O Pd S2 -","- C24 H48 Cl8 O4 Pd4 S8 -","4","1","","Tidey, Jeremiah P.; Wong, Henry L. S.; McMaster, Jonathan; Schröder, Martin; Blake, Alexander J.","High-pressure studies of three polymorphs of a palladium(II) oxathioether macrocyclic complex","Acta Crystallographica Section B","2016","72","3","357","371","10.1107/S2052520616007435","","","0.71073","MoKα","","0.1053","0.0602","","","0.1088","0.1269","","","","","","1.129","","","","has coordinates,has Fobs","183118","2020-10-21","18:00:00",""
"2107573","6.7233","0.0004","10.696","0.005","12.6919","0.0008","90","","97.735","0.005","90","","904.4","0.4","293","2","293","2","3070000","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C6 H12 Cl2 O Pd S2 -","- C6 H12 Cl2 O Pd S2 -","- C24 H48 Cl8 O4 Pd4 S8 -","4","1","","Tidey, Jeremiah P.; Wong, Henry L. S.; McMaster, Jonathan; Schröder, Martin; Blake, Alexander J.","High-pressure studies of three polymorphs of a palladium(II) oxathioether macrocyclic complex","Acta Crystallographica Section B","2016","72","3","357","371","10.1107/S2052520616007435","","","0.71073","MoKα","","0.0599","0.0379","","","0.0697","0.0763","","","","","","1.077","","","","has coordinates,has Fobs","183118","2020-10-21","18:00:00",""
"2107574","6.6257","0.0003","10.477","0.004","12.5074","0.0005","90","","97.701","0.004","90","","860.4","0.3","293","2","293","2","5240000","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C6 H12 Cl2 O Pd S2 -","- C6 H12 Cl2 O Pd S2 -","- C24 H48 Cl8 O4 Pd4 S8 -","4","1","","Tidey, Jeremiah P.; Wong, Henry L. S.; McMaster, Jonathan; Schröder, Martin; Blake, Alexander J.","High-pressure studies of three polymorphs of a palladium(II) oxathioether macrocyclic complex","Acta Crystallographica Section B","2016","72","3","357","371","10.1107/S2052520616007435","","","0.71073","MoKα","","0.0519","0.0351","","","0.0651","0.0702","","","","","","1.087","","","","has coordinates,has Fobs","183118","2020-10-21","18:00:00",""
"2107575","6.5492","0.0003","10.261","0.004","12.3694","0.0005","90","","97.693","0.004","90","","823.8","0.3","293","2","293","2","7410000","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C6 H12 Cl2 O Pd S2 -","- C6 H12 Cl2 O Pd S2 -","- C24 H48 Cl8 O4 Pd4 S8 -","4","1","","Tidey, Jeremiah P.; Wong, Henry L. S.; McMaster, Jonathan; Schröder, Martin; Blake, Alexander J.","High-pressure studies of three polymorphs of a palladium(II) oxathioether macrocyclic complex","Acta Crystallographica Section B","2016","72","3","357","371","10.1107/S2052520616007435","","","0.71073","MoKα","","0.0549","0.0367","","","0.0823","0.0909","","","","","","1.097","","","","has coordinates,has Fobs","183118","2020-10-21","18:00:00",""
"2107576","6.4761","0.0003","10.113","0.004","12.2352","0.0005","90","","97.648","0.004","90","","794.2","0.3","293","2","293","2","9860000","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C6 H12 Cl2 O Pd S2 -","- C6 H12 Cl2 O Pd S2 -","- C24 H48 Cl8 O4 Pd4 S8 -","4","1","","Tidey, Jeremiah P.; Wong, Henry L. S.; McMaster, Jonathan; Schröder, Martin; Blake, Alexander J.","High-pressure studies of three polymorphs of a palladium(II) oxathioether macrocyclic complex","Acta Crystallographica Section B","2016","72","3","357","371","10.1107/S2052520616007435","","","0.71073","MoKα","","0.0498","0.0358","","","0.09","0.0985","","","","","","1.039","","","","has coordinates,has Fobs","183118","2020-10-21","18:00:00",""
"2107577","8.418","0.0017","12.086","0.002","10.284","0.002","90","","105.23","0.03","90","","1009.5","0.4","90","2","90","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C6 H12 Cl2 O Pd S2 -","- C6 H12 Cl2 O Pd S2 -","- C24 H48 Cl8 O4 Pd4 S8 -","4","1","","Tidey, Jeremiah P.; Wong, Henry L. S.; McMaster, Jonathan; Schröder, Martin; Blake, Alexander J.","High-pressure studies of three polymorphs of a palladium(II) oxathioether macrocyclic complex","Acta Crystallographica Section B","2016","72","3","357","371","10.1107/S2052520616007435","","","0.71073","MoKα","","0.0195","0.0184","","","0.0444","0.045","","","","","","1.088","","","","has coordinates,has Fobs","183118","2020-10-21","18:00:00",""
"2107578","8.444","0.0017","12.15","0.002","10.356","0.002","90","","105.16","0.03","90","","1025.5","0.4","240","2","240","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C6 H12 Cl2 O Pd S2 -","- C6 H12 Cl2 O Pd S2 -","- C24 H48 Cl8 O4 Pd4 S8 -","4","1","","Tidey, Jeremiah P.; Wong, Henry L. S.; McMaster, Jonathan; Schröder, Martin; Blake, Alexander J.","High-pressure studies of three polymorphs of a palladium(II) oxathioether macrocyclic complex","Acta Crystallographica Section B","2016","72","3","357","371","10.1107/S2052520616007435","","","0.71073","MoKα","","0.022","0.0188","","","0.0484","0.0495","","","","","","1.03","","","","has coordinates,has Fobs","183118","2020-10-21","18:00:00",""
"2107579","8.452","0.0009","12.1793","0.0014","10.3752","0.0011","90","","105.126","0.002","90","","1031","0.2","290","2","290","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C6 H12 Cl2 O Pd S2 -","- C6 H12 Cl2 O Pd S2 -","- C24 H48 Cl8 O4 Pd4 S8 -","4","1","","Tidey, Jeremiah P.; Wong, Henry L. S.; McMaster, Jonathan; Schröder, Martin; Blake, Alexander J.","High-pressure studies of three polymorphs of a palladium(II) oxathioether macrocyclic complex","Acta Crystallographica Section B","2016","72","3","357","371","10.1107/S2052520616007435","","","0.71073","MoKα","","0.0225","0.0197","","","0.046","0.0474","","","","","","1.051","","","","has coordinates,has Fobs","183118","2020-10-21","18:00:00",""
"2107580","8.5114","0.0017","12.259","0.003","10.447","0.002","90","","105.32","0.03","90","","1051.3","0.4","390","2","390","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C6 H12 Cl2 O Pd S2 -","- C6 H12 Cl2 O Pd S2 -","- C24 H48 Cl8 O4 Pd4 S8 -","4","1","","Tidey, Jeremiah P.; Wong, Henry L. S.; McMaster, Jonathan; Schröder, Martin; Blake, Alexander J.","High-pressure studies of three polymorphs of a palladium(II) oxathioether macrocyclic complex","Acta Crystallographica Section B","2016","72","3","357","371","10.1107/S2052520616007435","","","0.71073","MoKα","","0.0303","0.0261","","","0.0608","0.0629","","","","","","1.082","","","","has coordinates,has Fobs","183118","2020-10-21","18:00:00",""
"2107581","9.33953","0.00019","12.6686","0.0002","9.07081","0.00019","90","","92.3136","0.0018","90","","1072.37","0.04","290","0.1","290","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C6 H12 Cl2 O Pd S2 -","- C6 H12 Cl2 O Pd S2 -","- C24 H48 Cl8 O4 Pd4 S8 -","4","1","","Tidey, Jeremiah P.; Wong, Henry L. S.; McMaster, Jonathan; Schröder, Martin; Blake, Alexander J.","High-pressure studies of three polymorphs of a palladium(II) oxathioether macrocyclic complex","Acta Crystallographica Section B","2016","72","3","357","371","10.1107/S2052520616007435","","","1.54184","CuKα","","0.0266","0.0226","","","0.0552","0.0576","","","","","","1.03","","","","has coordinates,has Fobs","183118","2020-10-21","18:00:00",""
"2107582","9.3369","0.0002","12.6686","0.0003","9.0672","0.0002","90","","92.319","0.002","90","","1071.64","0.04","280","0.1","280","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C6 H12 Cl2 O Pd S2 -","- C6 H12 Cl2 O Pd S2 -","- C24 H48 Cl8 O4 Pd4 S8 -","4","1","","Tidey, Jeremiah P.; Wong, Henry L. S.; McMaster, Jonathan; Schröder, Martin; Blake, Alexander J.","High-pressure studies of three polymorphs of a palladium(II) oxathioether macrocyclic complex","Acta Crystallographica Section B","2016","72","3","357","371","10.1107/S2052520616007435","","","1.54184","CuKα","","0.0261","0.0221","","","0.0536","0.0565","","","","","","1.037","","","","has coordinates,has Fobs","183118","2020-10-21","18:00:00",""
"2107583","9.33259","0.00018","12.6698","0.0002","9.0641","0.00017","90","","92.3369","0.0017","90","","1070.87","0.03","270.01","0.1","270.01","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C6 H12 Cl2 O Pd S2 -","- C6 H12 Cl2 O Pd S2 -","- C24 H48 Cl8 O4 Pd4 S8 -","4","1","","Tidey, Jeremiah P.; Wong, Henry L. S.; McMaster, Jonathan; Schröder, Martin; Blake, Alexander J.","High-pressure studies of three polymorphs of a palladium(II) oxathioether macrocyclic complex","Acta Crystallographica Section B","2016","72","3","357","371","10.1107/S2052520616007435","","","1.54184","CuKα","","0.0274","0.0234","","","0.0556","0.0577","","","","","","1.061","","","","has coordinates,has Fobs","183118","2020-10-21","18:00:00",""
"2107584","9.32836","0.00016","12.667","0.0002","9.06026","0.00016","90","","92.373","0.0016","90","","1069.66","0.03","260","0.1","260","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C6 H12 Cl2 O Pd S2 -","- C6 H12 Cl2 O Pd S2 -","- C24 H48 Cl8 O4 Pd4 S8 -","4","1","","Tidey, Jeremiah P.; Wong, Henry L. S.; McMaster, Jonathan; Schröder, Martin; Blake, Alexander J.","High-pressure studies of three polymorphs of a palladium(II) oxathioether macrocyclic complex","Acta Crystallographica Section B","2016","72","3","357","371","10.1107/S2052520616007435","","","1.54184","CuKα","","0.0281","0.0243","","","0.0594","0.0619","","","","","","1.063","","","","has coordinates,has Fobs","183118","2020-10-21","18:00:00",""
"2107585","9.32986","0.00018","12.6697","0.0002","9.0599","0.00018","90","","92.3374","0.0017","90","","1070.05","0.03","260.01","0.1","260.01","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C6 H12 Cl2 O Pd S2 -","- C6 H12 Cl2 O Pd S2 -","- C24 H48 Cl8 O4 Pd4 S8 -","4","1","","Tidey, Jeremiah P.; Wong, Henry L. S.; McMaster, Jonathan; Schröder, Martin; Blake, Alexander J.","High-pressure studies of three polymorphs of a palladium(II) oxathioether macrocyclic complex","Acta Crystallographica Section B","2016","72","3","357","371","10.1107/S2052520616007435","","","1.54184","CuKα","","0.028","0.0236","","","0.057","0.0599","","","","","","1.099","","","","has coordinates,has Fobs","183118","2020-10-21","18:00:00",""
"2107586","9.31919","0.00018","12.6638","0.0002","9.05327","0.00017","90","","92.3688","0.0017","90","","1067.52","0.03","240","0.1","240","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C6 H12 Cl2 O Pd S2 -","- C6 H12 Cl2 O Pd S2 -","- C24 H48 Cl8 O4 Pd4 S8 -","4","1","","Tidey, Jeremiah P.; Wong, Henry L. S.; McMaster, Jonathan; Schröder, Martin; Blake, Alexander J.","High-pressure studies of three polymorphs of a palladium(II) oxathioether macrocyclic complex","Acta Crystallographica Section B","2016","72","3","357","371","10.1107/S2052520616007435","","","1.54184","CuKα","","0.0271","0.0234","","","0.0575","0.0599","","","","","","1.088","","","","has coordinates,has Fobs","183118","2020-10-21","18:00:00",""
"2107587","9.319","0.0006","12.6665","0.0008","9.0468","0.0006","90","","92.379","0.006","90","","1066.96","0.12","230","0.1","230","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C6 H12 Cl2 O Pd S2 -","- C6 H12 Cl2 O Pd S2 -","- C24 H48 Cl8 O4 Pd4 S8 -","4","1","","Tidey, Jeremiah P.; Wong, Henry L. S.; McMaster, Jonathan; Schröder, Martin; Blake, Alexander J.","High-pressure studies of three polymorphs of a palladium(II) oxathioether macrocyclic complex","Acta Crystallographica Section B","2016","72","3","357","371","10.1107/S2052520616007435","","","1.54184","CuKα","","0.0292","0.0251","","","0.0627","0.0658","","","","","","1.022","","","","has coordinates,has Fobs","183118","2020-10-21","18:00:00",""
"2107588","9.3118","0.0003","12.6639","0.0004","9.0463","0.0003","90","","92.402","0.003","90","","1065.84","0.06","220","0.1","220","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C6 H12 Cl2 O Pd S2 -","- C6 H12 Cl2 O Pd S2 -","- C24 H48 Cl8 O4 Pd4 S8 -","4","1","","Tidey, Jeremiah P.; Wong, Henry L. S.; McMaster, Jonathan; Schröder, Martin; Blake, Alexander J.","High-pressure studies of three polymorphs of a palladium(II) oxathioether macrocyclic complex","Acta Crystallographica Section B","2016","72","3","357","371","10.1107/S2052520616007435","","","1.54184","CuKα","","0.0279","0.0247","","","0.0614","0.0635","","","","","","1.039","","","","has coordinates,has Fobs","183118","2020-10-21","18:00:00",""
"2107589","9.30755","0.00018","12.6617","0.0002","9.04501","0.00018","90","","92.4045","0.0018","90","","1065.01","0.03","210","0.1","210","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C6 H12 Cl2 O Pd S2 -","- C6 H12 Cl2 O Pd S2 -","- C24 H48 Cl8 O4 Pd4 S8 -","4","1","","Tidey, Jeremiah P.; Wong, Henry L. S.; McMaster, Jonathan; Schröder, Martin; Blake, Alexander J.","High-pressure studies of three polymorphs of a palladium(II) oxathioether macrocyclic complex","Acta Crystallographica Section B","2016","72","3","357","371","10.1107/S2052520616007435","","","1.54184","CuKα","","0.0273","0.0243","","","0.0601","0.062","","","","","","1.081","","","","has coordinates,has Fobs","183118","2020-10-21","18:00:00",""
"2107590","9.3016","0.0002","12.6567","0.0003","9.0416","0.0002","90","","92.401","0.002","90","","1063.51","0.04","200","0.1","200","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C6 H12 Cl2 O Pd S2 -","- C6 H12 Cl2 O Pd S2 -","- C24 H48 Cl8 O4 Pd4 S8 -","4","1","","Tidey, Jeremiah P.; Wong, Henry L. S.; McMaster, Jonathan; Schröder, Martin; Blake, Alexander J.","High-pressure studies of three polymorphs of a palladium(II) oxathioether macrocyclic complex","Acta Crystallographica Section B","2016","72","3","357","371","10.1107/S2052520616007435","","","1.54184","CuKα","","0.0262","0.0227","","","0.0555","0.0574","","","","","","1.04","","","","has coordinates,has Fobs","183118","2020-10-21","18:00:00",""
"2107591","9.2988","0.0003","12.6607","0.0004","9.0373","0.0003","90","","92.434","0.003","90","","1063","0.06","190","0.1","190","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C6 H12 Cl2 O Pd S2 -","- C6 H12 Cl2 O Pd S2 -","- C24 H48 Cl8 O4 Pd4 S8 -","4","1","","Tidey, Jeremiah P.; Wong, Henry L. S.; McMaster, Jonathan; Schröder, Martin; Blake, Alexander J.","High-pressure studies of three polymorphs of a palladium(II) oxathioether macrocyclic complex","Acta Crystallographica Section B","2016","72","3","357","371","10.1107/S2052520616007435","","","1.54184","CuKα","","0.0274","0.0242","","","0.0595","0.0621","","","","","","1.067","","","","has coordinates,has Fobs","183118","2020-10-21","18:00:00",""
"2107592","9.294","0.0003","12.6577","0.0004","9.0341","0.0003","90","","92.469","0.003","90","","1061.79","0.06","180","0.1","180","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C6 H12 Cl2 O Pd S2 -","- C6 H12 Cl2 O Pd S2 -","- C24 H48 Cl8 O4 Pd4 S8 -","4","1","","Tidey, Jeremiah P.; Wong, Henry L. S.; McMaster, Jonathan; Schröder, Martin; Blake, Alexander J.","High-pressure studies of three polymorphs of a palladium(II) oxathioether macrocyclic complex","Acta Crystallographica Section B","2016","72","3","357","371","10.1107/S2052520616007435","","","1.54184","CuKα","","0.0272","0.0236","","","0.0574","0.0596","","","","","","1.078","","","","has coordinates,has Fobs","183118","2020-10-21","18:00:00",""
"2107593","9.2959","0.0002","12.6555","0.0003","9.0333","0.0002","90","","92.464","0.002","90","","1061.73","0.04","170","0.1","170","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C6 H12 Cl2 O Pd S2 -","- C6 H12 Cl2 O Pd S2 -","- C24 H48 Cl8 O4 Pd4 S8 -","4","1","","Tidey, Jeremiah P.; Wong, Henry L. S.; McMaster, Jonathan; Schröder, Martin; Blake, Alexander J.","High-pressure studies of three polymorphs of a palladium(II) oxathioether macrocyclic complex","Acta Crystallographica Section B","2016","72","3","357","371","10.1107/S2052520616007435","","","1.54184","CuKα","","0.0263","0.0226","","","0.0554","0.0574","","","","","","1.06","","","","has coordinates,has Fobs","183118","2020-10-21","18:00:00",""
"2107594","9.2925","0.0002","12.654","0.0003","9.0308","0.0002","90","","92.474","0.002","90","","1060.92","0.04","160","0.1","160","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C6 H12 Cl2 O Pd S2 -","- C6 H12 Cl2 O Pd S2 -","- C24 H48 Cl8 O4 Pd4 S8 -","4","1","","Tidey, Jeremiah P.; Wong, Henry L. S.; McMaster, Jonathan; Schröder, Martin; Blake, Alexander J.","High-pressure studies of three polymorphs of a palladium(II) oxathioether macrocyclic complex","Acta Crystallographica Section B","2016","72","3","357","371","10.1107/S2052520616007435","","","1.54184","CuKα","","0.0271","0.0237","","","0.0578","0.0596","","","","","","1.052","","","","has coordinates,has Fobs","211332","2020-10-21","18:00:00",""
"2107595","9.28752","0.00019","12.6574","0.0003","9.02963","0.00018","90","","92.466","0.0018","90","","1060.5","0.04","150.01","0.1","150.01","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C6 H12 Cl2 O Pd S2 -","- C6 H12 Cl2 O Pd S2 -","- C24 H48 Cl8 O4 Pd4 S8 -","4","1","","Tidey, Jeremiah P.; Wong, Henry L. S.; McMaster, Jonathan; Schröder, Martin; Blake, Alexander J.","High-pressure studies of three polymorphs of a palladium(II) oxathioether macrocyclic complex","Acta Crystallographica Section B","2016","72","3","357","371","10.1107/S2052520616007435","","","1.54184","CuKα","","0.0257","0.0218","","","0.0535","0.0553","","","","","","1.03","","","","has coordinates,has Fobs","211332","2020-10-21","18:00:00",""
"2107596","9.2825","0.0002","12.6543","0.0003","9.027","0.0002","90","","92.466","0.002","90","","1059.36","0.04","140.01","0.1","140.01","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C6 H12 Cl2 O Pd S2 -","- C6 H12 Cl2 O Pd S2 -","- C24 H48 Cl8 O4 Pd4 S8 -","4","1","","Tidey, Jeremiah P.; Wong, Henry L. S.; McMaster, Jonathan; Schröder, Martin; Blake, Alexander J.","High-pressure studies of three polymorphs of a palladium(II) oxathioether macrocyclic complex","Acta Crystallographica Section B","2016","72","3","357","371","10.1107/S2052520616007435","","","1.54184","CuKα","","0.0263","0.0226","","","0.0556","0.0575","","","","","","1.036","","","","has coordinates,has Fobs","183118","2020-10-21","18:00:00",""
"2107597","9.2825","0.0002","12.6537","0.0003","9.02394","0.00019","90","","92.4988","0.0019","90","","1058.93","0.04","130","0.1","130","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C6 H12 Cl2 O Pd S2 -","- C6 H12 Cl2 O Pd S2 -","- C24 H48 Cl8 O4 Pd4 S8 -","4","1","","Tidey, Jeremiah P.; Wong, Henry L. S.; McMaster, Jonathan; Schröder, Martin; Blake, Alexander J.","High-pressure studies of three polymorphs of a palladium(II) oxathioether macrocyclic complex","Acta Crystallographica Section B","2016","72","3","357","371","10.1107/S2052520616007435","","","1.54184","CuKα","","0.0254","0.0215","","","0.0505","0.0521","","","","","","1.045","","","","has coordinates,has Fobs","183118","2020-10-21","18:00:00",""
"2107598","9.2826","0.0002","12.6502","0.0003","9.0188","0.0002","90","","92.499","0.002","90","","1058.04","0.04","120","0.1","120","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C6 H12 Cl2 O Pd S2 -","- C6 H12 Cl2 O Pd S2 -","- C24 H48 Cl8 O4 Pd4 S8 -","4","1","","Tidey, Jeremiah P.; Wong, Henry L. S.; McMaster, Jonathan; Schröder, Martin; Blake, Alexander J.","High-pressure studies of three polymorphs of a palladium(II) oxathioether macrocyclic complex","Acta Crystallographica Section B","2016","72","3","357","371","10.1107/S2052520616007435","","","1.54184","CuKα","","0.0255","0.0221","","","0.051","0.0527","","","","","","1.059","","","","has coordinates,has Fobs","183118","2020-10-21","18:00:00",""
"2107599","9.28172","0.00019","12.6461","0.0002","9.01718","0.00018","90","","92.5053","0.0018","90","","1057.4","0.03","110","0.11","110","0.11","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C6 H12 Cl2 O Pd S2 -","- C6 H12 Cl2 O Pd S2 -","- C24 H48 Cl8 O4 Pd4 S8 -","4","1","","Tidey, Jeremiah P.; Wong, Henry L. S.; McMaster, Jonathan; Schröder, Martin; Blake, Alexander J.","High-pressure studies of three polymorphs of a palladium(II) oxathioether macrocyclic complex","Acta Crystallographica Section B","2016","72","3","357","371","10.1107/S2052520616007435","","","1.54184","CuKα","","0.0263","0.0227","","","0.0544","0.0564","","","","","","1.028","","","","has coordinates,has Fobs","183118","2020-10-21","18:00:00",""
"2107600","9.2773","0.0002","12.6455","0.0003","9.0171","0.0002","90","","92.483","0.002","90","","1056.86","0.04","99.98","0.11","99.98","0.11","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C6 H12 Cl2 O Pd S2 -","- C6 H12 Cl2 O Pd S2 -","- C24 H48 Cl8 O4 Pd4 S8 -","4","1","","Tidey, Jeremiah P.; Wong, Henry L. S.; McMaster, Jonathan; Schröder, Martin; Blake, Alexander J.","High-pressure studies of three polymorphs of a palladium(II) oxathioether macrocyclic complex","Acta Crystallographica Section B","2016","72","3","357","371","10.1107/S2052520616007435","","","1.54184","CuKα","","0.0269","0.023","","","0.0566","0.059","","","","","","1.043","","","","has coordinates,has Fobs","183118","2020-10-21","18:00:00",""
"2107601","9.2738","0.0002","12.6428","0.0003","9.0144","0.0002","90","","92.47","0.002","90","","1055.93","0.04","89.9","0.3","89.9","0.3","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C6 H12 Cl2 O Pd S2 -","- C6 H12 Cl2 O Pd S2 -","- C24 H48 Cl8 O4 Pd4 S8 -","4","1","","Tidey, Jeremiah P.; Wong, Henry L. S.; McMaster, Jonathan; Schröder, Martin; Blake, Alexander J.","High-pressure studies of three polymorphs of a palladium(II) oxathioether macrocyclic complex","Acta Crystallographica Section B","2016","72","3","357","371","10.1107/S2052520616007435","","","1.54184","CuKα","","0.0276","0.0239","","","0.0582","0.0603","","","","","","1.037","","","","has coordinates,has Fobs","183118","2020-10-21","18:00:00",""
"2107602","9.3857","0.0003","12.7073","0.0004","9.0665","0.0003","90","","92.194","0.003","90","","1080.54","0.06","290","0.1","290","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C6 H12 Cl2 O Pd S2 -","- C6 H12 Cl2 O Pd S2 -","- C24 H48 Cl8 O4 Pd4 S8 -","4","1","","Tidey, Jeremiah P.; Wong, Henry L. S.; McMaster, Jonathan; Schröder, Martin; Blake, Alexander J.","High-pressure studies of three polymorphs of a palladium(II) oxathioether macrocyclic complex","Acta Crystallographica Section B","2016","72","3","357","371","10.1107/S2052520616007435","","","1.54184","CuKα","","0.0343","0.0282","","","0.0696","0.0739","","","","","","1.062","","","","has coordinates,has Fobs","183118","2020-10-21","18:00:00",""
"2107603","9.4049","0.0003","12.7226","0.0004","9.0743","0.0003","90","","92.152","0.003","90","","1085.02","0.06","309.99","0.1","309.99","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C6 H12 Cl2 O Pd S2 -","- C6 H12 Cl2 O Pd S2 -","- C24 H48 Cl8 O4 Pd4 S8 -","4","1","","Tidey, Jeremiah P.; Wong, Henry L. S.; McMaster, Jonathan; Schröder, Martin; Blake, Alexander J.","High-pressure studies of three polymorphs of a palladium(II) oxathioether macrocyclic complex","Acta Crystallographica Section B","2016","72","3","357","371","10.1107/S2052520616007435","","","1.54184","CuKα","","0.0347","0.0282","","","0.0681","0.0719","","","","","","1.057","","","","has coordinates,has Fobs","183118","2020-10-21","18:00:00",""
"2107604","9.4161","0.0003","12.7255","0.0004","9.0843","0.0003","90","","92.068","0.003","90","","1087.81","0.06","330.01","0.1","330.01","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C6 H12 Cl2 O Pd S2 -","- C6 H12 Cl2 O Pd S2 -","- C24 H48 Cl8 O4 Pd4 S8 -","4","1","","Tidey, Jeremiah P.; Wong, Henry L. S.; McMaster, Jonathan; Schröder, Martin; Blake, Alexander J.","High-pressure studies of three polymorphs of a palladium(II) oxathioether macrocyclic complex","Acta Crystallographica Section B","2016","72","3","357","371","10.1107/S2052520616007435","","","1.54184","CuKα","","0.0377","0.0297","","","0.077","0.082","","","","","","1.067","","","","has coordinates,has Fobs","183118","2020-10-21","18:00:00",""
"2107605","9.428","0.0002","12.7377","0.0003","9.0927","0.0002","90","","91.994","0.002","90","","1091.29","0.04","350.01","0.1","350.01","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C6 H12 Cl2 O Pd S2 -","- C6 H12 Cl2 O Pd S2 -","- C24 H48 Cl8 O4 Pd4 S8 -","4","1","","Tidey, Jeremiah P.; Wong, Henry L. S.; McMaster, Jonathan; Schröder, Martin; Blake, Alexander J.","High-pressure studies of three polymorphs of a palladium(II) oxathioether macrocyclic complex","Acta Crystallographica Section B","2016","72","3","357","371","10.1107/S2052520616007435","","","1.54184","CuKα","","0.0404","0.0321","","","0.0795","0.0858","","","","","","1.044","","","","has coordinates,has Fobs","183118","2020-10-21","18:00:00",""
"2107606","9.4503","0.0003","12.748","0.0004","9.1023","0.0003","90","","91.926","0.003","90","","1095.96","0.06","370","0.1","370","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C6 H12 Cl2 O Pd S2 -","- C6 H12 Cl2 O Pd S2 -","- C24 H48 Cl8 O4 Pd4 S8 -","4","1","","Tidey, Jeremiah P.; Wong, Henry L. S.; McMaster, Jonathan; Schröder, Martin; Blake, Alexander J.","High-pressure studies of three polymorphs of a palladium(II) oxathioether macrocyclic complex","Acta Crystallographica Section B","2016","72","3","357","371","10.1107/S2052520616007435","","","1.54184","CuKα","","0.0408","0.0313","","","0.0758","0.0824","","","","","","1.041","","","","has coordinates,has Fobs","183118","2020-10-21","18:00:00",""
"2107607","9.4658","0.0003","12.7447","0.0004","9.1115","0.0003","90","","91.912","0.003","90","","1098.59","0.06","390","0.1","390","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C6 H12 Cl2 O Pd S2 -","- C6 H12 Cl2 O Pd S2 -","- C24 H48 Cl8 O4 Pd4 S8 -","4","1","","Tidey, Jeremiah P.; Wong, Henry L. S.; McMaster, Jonathan; Schröder, Martin; Blake, Alexander J.","High-pressure studies of three polymorphs of a palladium(II) oxathioether macrocyclic complex","Acta Crystallographica Section B","2016","72","3","357","371","10.1107/S2052520616007435","","","1.54184","CuKα","","0.0427","0.0324","","","0.0784","0.0854","","","","","","1.058","","","","has coordinates,has Fobs","183118","2020-10-21","18:00:00",""
"2107608","9.4832","0.0004","12.7407","0.0005","9.1205","0.0004","90","","91.892","0.004","90","","1101.36","0.08","410","0.1","410","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C6 H12 Cl2 O Pd S2 -","- C6 H12 Cl2 O Pd S2 -","- C24 H48 Cl8 O4 Pd4 S8 -","4","1","","Tidey, Jeremiah P.; Wong, Henry L. S.; McMaster, Jonathan; Schröder, Martin; Blake, Alexander J.","High-pressure studies of three polymorphs of a palladium(II) oxathioether macrocyclic complex","Acta Crystallographica Section B","2016","72","3","357","371","10.1107/S2052520616007435","","","1.54184","CuKα","","0.0439","0.0319","","","0.076","0.0837","","","","","","1.047","","","","has coordinates,has Fobs","183118","2020-10-21","18:00:00",""
"2107609","9.5005","0.0004","12.7399","0.0005","9.1283","0.0003","90","","91.889","0.003","90","","1104.25","0.07","430","0.1","430","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C6 H12 Cl2 O Pd S2 -","- C6 H12 Cl2 O Pd S2 -","- C24 H48 Cl8 O4 Pd4 S8 -","4","1","","Tidey, Jeremiah P.; Wong, Henry L. S.; McMaster, Jonathan; Schröder, Martin; Blake, Alexander J.","High-pressure studies of three polymorphs of a palladium(II) oxathioether macrocyclic complex","Acta Crystallographica Section B","2016","72","3","357","371","10.1107/S2052520616007435","","","1.54184","CuKα","","0.0456","0.0336","","","0.0799","0.0879","","","","","","1.059","","","","has coordinates,has Fobs","183118","2020-10-21","18:00:00",""
"2107610","9.5132","0.0004","12.7475","0.0005","9.1351","0.0004","90","","91.838","0.004","90","","1107.24","0.08","450","0.1","450","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C6 H12 Cl2 O Pd S2 -","- C6 H12 Cl2 O Pd S2 -","- C24 H48 Cl8 O4 Pd4 S8 -","4","1","","Tidey, Jeremiah P.; Wong, Henry L. S.; McMaster, Jonathan; Schröder, Martin; Blake, Alexander J.","High-pressure studies of three polymorphs of a palladium(II) oxathioether macrocyclic complex","Acta Crystallographica Section B","2016","72","3","357","371","10.1107/S2052520616007435","","","1.54184","CuKα","","0.0504","0.0342","","","0.0817","0.0922","","","","","","1.038","","","","has coordinates,has Fobs","183118","2020-10-21","18:00:00",""
"2107611","9.5273","0.0006","12.7522","0.0007","9.1401","0.0005","90","","91.801","0.006","90","","1109.92","0.11","470","0.1","470","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C6 H12 Cl2 O Pd S2 -","- C6 H12 Cl2 O Pd S2 -","- C24 H48 Cl8 O4 Pd4 S8 -","4","1","","Tidey, Jeremiah P.; Wong, Henry L. S.; McMaster, Jonathan; Schröder, Martin; Blake, Alexander J.","High-pressure studies of three polymorphs of a palladium(II) oxathioether macrocyclic complex","Acta Crystallographica Section B","2016","72","3","357","371","10.1107/S2052520616007435","","","1.54184","CuKα","","0.0551","0.0366","","","0.0855","0.0974","","","","","","1.016","","","","has coordinates,has Fobs","183118","2020-10-21","18:00:00",""
"2107612","9.5075","0.0006","12.74","0.0006","9.1388","0.0004","90","","91.892","0.005","90","","1106.34","0.1","470.01","0.1","470.01","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C6 H12 Cl2 O Pd S2 -","- C6 H12 Cl2 O Pd S2 -","- C24 H48 Cl8 O4 Pd4 S8 -","4","1","","Tidey, Jeremiah P.; Wong, Henry L. S.; McMaster, Jonathan; Schröder, Martin; Blake, Alexander J.","High-pressure studies of three polymorphs of a palladium(II) oxathioether macrocyclic complex","Acta Crystallographica Section B","2016","72","3","357","371","10.1107/S2052520616007435","","","1.54184","CuKα","","0.063","0.039","","","0.0908","0.1062","","","","","","1.024","","","","has coordinates,has Fobs","183118","2020-10-21","18:00:00",""
"2107613","7.0235","0.0003","11.4057","0.0005","13.3987","0.0006","90","","96.708","0.004","90","","1065.99","0.08","290","0.1","290","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C6 H12 Cl2 O Pd S2 -","- C6 H12 Cl2 O Pd S2 -","- C24 H48 Cl8 O4 Pd4 S8 -","4","1","","Tidey, Jeremiah P.; Wong, Henry L. S.; McMaster, Jonathan; Schröder, Martin; Blake, Alexander J.","High-pressure studies of three polymorphs of a palladium(II) oxathioether macrocyclic complex","Acta Crystallographica Section B","2016","72","3","357","371","10.1107/S2052520616007435","","","1.5418","CuKα","","0.0231","0.0225","","","0.0589","0.0593","","","","","","1.084","","","","has coordinates,has Fobs","183118","2020-10-21","18:00:00",""
"2107614","7.0116","0.0002","11.3717","0.0003","13.3708","0.0004","90","","96.705","0.003","90","","1058.81","0.05","242","4","242","4","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C6 H12 Cl2 O Pd S2 -","- C6 H12 Cl2 O Pd S2 -","- C24 H48 Cl8 O4 Pd4 S8 -","4","1","","Tidey, Jeremiah P.; Wong, Henry L. S.; McMaster, Jonathan; Schröder, Martin; Blake, Alexander J.","High-pressure studies of three polymorphs of a palladium(II) oxathioether macrocyclic complex","Acta Crystallographica Section B","2016","72","3","357","371","10.1107/S2052520616007435","","","0.71073","MoKα","","0.0225","0.0218","","","0.0563","0.0569","","","","","","1.11","","","","has coordinates,has Fobs","183118","2020-10-21","18:00:00",""
"2107615","7.001","0.0002","11.3406","0.0004","13.3463","0.0004","90","","96.705","0.003","90","","1052.39","0.06","192","4","192","4","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C6 H12 Cl2 O Pd S2 -","- C6 H12 Cl2 O Pd S2 -","- C24 H48 Cl8 O4 Pd4 S8 -","4","1","","Tidey, Jeremiah P.; Wong, Henry L. S.; McMaster, Jonathan; Schröder, Martin; Blake, Alexander J.","High-pressure studies of three polymorphs of a palladium(II) oxathioether macrocyclic complex","Acta Crystallographica Section B","2016","72","3","357","371","10.1107/S2052520616007435","","","0.71073","MoKα","","0.0211","0.0205","","","0.0524","0.0528","","","","","","1.131","","","","has coordinates,has Fobs","183118","2020-10-21","18:00:00",""
"2107616","6.988","0.0002","11.3115","0.0004","13.3234","0.0004","90","","96.682","0.003","90","","1045.99","0.06","142","4","142","4","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C6 H12 Cl2 O Pd S2 -","- C6 H12 Cl2 O Pd S2 -","- C24 H48 Cl8 O4 Pd4 S8 -","4","1","","Tidey, Jeremiah P.; Wong, Henry L. S.; McMaster, Jonathan; Schröder, Martin; Blake, Alexander J.","High-pressure studies of three polymorphs of a palladium(II) oxathioether macrocyclic complex","Acta Crystallographica Section B","2016","72","3","357","371","10.1107/S2052520616007435","","","1.5418","CuKα","","0.0222","0.0218","","","0.0566","0.0567","","","","","","1.146","","","","has coordinates,has Fobs","183118","2020-10-21","18:00:00",""
"2107617","6.977","0.0002","11.2898","0.0003","13.3041","0.0004","90","","96.687","0.003","90","","1040.82","0.05","99","13","99","13","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C6 H12 Cl2 O Pd S2 -","- C6 H12 Cl2 O Pd S2 -","- C24 H48 Cl8 O4 Pd4 S8 -","4","1","","Tidey, Jeremiah P.; Wong, Henry L. S.; McMaster, Jonathan; Schröder, Martin; Blake, Alexander J.","High-pressure studies of three polymorphs of a palladium(II) oxathioether macrocyclic complex","Acta Crystallographica Section B","2016","72","3","357","371","10.1107/S2052520616007435","","","1.54184","CuKα","","0.0195","0.019","","","0.0494","0.0498","","","","","","1.101","","","","has coordinates,has Fobs","211332","2020-10-21","18:00:00",""
"2107618","7.0391","0.0003","11.4914","0.0005","13.4616","0.0005","90","","96.676","0.004","90","","1081.51","0.08","335","8","335","8","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C6 H12 Cl2 O Pd S2 -","- C6 H12 Cl2 O Pd S2 -","- C24 H48 Cl8 O4 Pd4 S8 -","4","1","","Tidey, Jeremiah P.; Wong, Henry L. S.; McMaster, Jonathan; Schröder, Martin; Blake, Alexander J.","High-pressure studies of three polymorphs of a palladium(II) oxathioether macrocyclic complex","Acta Crystallographica Section B","2016","72","3","357","371","10.1107/S2052520616007435","","","0.71073","MoKα","","0.0266","0.0256","","","0.0676","0.0683","","","","","","1.09","","","","has coordinates,has Fobs","183118","2020-10-21","18:00:00",""
"2107619","7.0534","0.0003","11.5465","0.0005","13.4903","0.0006","90","","96.648","0.004","90","","1091.29","0.08","388","4","388","4","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C6 H12 Cl2 O Pd S2 -","- C6 H12 Cl2 O Pd S2 -","- C24 H48 Cl8 O4 Pd4 S8 -","4","1","","Tidey, Jeremiah P.; Wong, Henry L. S.; McMaster, Jonathan; Schröder, Martin; Blake, Alexander J.","High-pressure studies of three polymorphs of a palladium(II) oxathioether macrocyclic complex","Acta Crystallographica Section B","2016","72","3","357","371","10.1107/S2052520616007435","","","0.71073","MoKα","","0.0261","0.0249","","","0.0655","0.0665","","","","","","1.059","","","","has coordinates,has Fobs","183118","2020-10-21","18:00:00",""
"2107620","7.0638","0.0009","11.6103","0.0014","13.5208","0.0015","90","","96.459","0.011","90","","1101.8","0.2","438","4","438","4","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C6 H12 Cl2 O Pd S2 -","- C6 H12 Cl2 O Pd S2 -","- C24 H48 Cl8 O4 Pd4 S8 -","4","1","","Tidey, Jeremiah P.; Wong, Henry L. S.; McMaster, Jonathan; Schröder, Martin; Blake, Alexander J.","High-pressure studies of three polymorphs of a palladium(II) oxathioether macrocyclic complex","Acta Crystallographica Section B","2016","72","3","357","371","10.1107/S2052520616007435","","","0.71073","MoKα","","0.0397","0.0366","","","0.0999","0.1032","","","","","","1.056","","","","has coordinates,has Fobs","183118","2020-10-21","18:00:00",""
"2107621","7.0749","0.0006","11.6762","0.0009","13.5923","0.0012","90","","96.32","0.008","90","","1116.01","0.16","488","4","488","4","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C6 H12 Cl2 O Pd S2 -","- C6 H12 Cl2 O Pd S2 -","- C24 H48 Cl8 O4 Pd4 S8 -","4","1","","Tidey, Jeremiah P.; Wong, Henry L. S.; McMaster, Jonathan; Schröder, Martin; Blake, Alexander J.","High-pressure studies of three polymorphs of a palladium(II) oxathioether macrocyclic complex","Acta Crystallographica Section B","2016","72","3","357","371","10.1107/S2052520616007435","","","0.71073","MoKα","","0.0501","0.0419","","","0.1121","0.1202","","","","","","1.066","","","","has coordinates,has Fobs","183118","2020-10-21","18:00:00",""
"2107622","14.648","0.0009","12.4006","0.001","16.6062","0.001","90","","90","","90","","3016.4","0.4","296","2","296.15","","300000","16","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C15 H14 Mn N2 O6 -","- C15 H14 Mn N2 O6 -","- C120 H112 Mn8 N16 O48 -","8","1","BM5080","Madsen, Solveig R.; Moggach, Stephen A.; Overgaard, Jacob; Brummerstedt Iversen, Bo","Anisotropic compressibility of the coordination polymer emim[Mn(btc)]","Acta Crystallographica Section B","2016","72","3","389","394","10.1107/S2052520616005515","","","0.71073","MoKα","","0.1068","0.0621","","","0.1333","0.1504","","","","","","1.069","","","","has coordinates,has Fobs","183119","2020-10-21","18:00:00",""
"2107623","14.3847","0.0006","12.2888","0.0006","16.6029","0.0007","90","","90","","90","","2934.9","0.2","296","2","296.15","","700000","2","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C15 H14 Mn N2 O6 -","- C15 H14 Mn N2 O6 -","- C120 H112 Mn8 N16 O48 -","8","1","","Madsen, Solveig R.; Moggach, Stephen A.; Overgaard, Jacob; Brummerstedt Iversen, Bo","Anisotropic compressibility of the coordination polymer emim[Mn(btc)]","Acta Crystallographica Section B","2016","72","3","389","394","10.1107/S2052520616005515","","","0.71073","MoKα","","0.0883","0.0514","","","0.1171","0.1324","","","","","","1.04","","","","has coordinates,has Fobs","183119","2020-10-21","18:00:00",""
"2107624","14.1985","0.0009","12.0745","0.0009","16.5616","0.0011","90","","90","","90","","2839.3","0.3","296","2","296.15","","1670000","19","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C15 H14 Mn N2 O6 -","- C15 H14 Mn N2 O6 -","- C120 H112 Mn8 N16 O48 -","8","1","","Madsen, Solveig R.; Moggach, Stephen A.; Overgaard, Jacob; Brummerstedt Iversen, Bo","Anisotropic compressibility of the coordination polymer emim[Mn(btc)]","Acta Crystallographica Section B","2016","72","3","389","394","10.1107/S2052520616005515","","","0.71073","MoKα","","0.1032","0.0631","","","0.1699","0.1927","","","","","","1.044","","","","has coordinates","183119","2020-10-21","18:00:00",""
"2107625","14.15","0.002","11.86","0.002","16.574","0.002","90","","90","","90","","2781.4","0.7","296","2","296.15","","2480000","12","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C15 H14 Mn N2 O6 -","- C15 H14 Mn N2 O6 -","- C120 H112 Mn8 N16 O48 -","8","1","","Madsen, Solveig R.; Moggach, Stephen A.; Overgaard, Jacob; Brummerstedt Iversen, Bo","Anisotropic compressibility of the coordination polymer emim[Mn(btc)]","Acta Crystallographica Section B","2016","72","3","389","394","10.1107/S2052520616005515","","","0.71073","MoKα","","0.1605","0.0892","","","0.2134","0.2518","","","","","","1.063","","","","has coordinates,has Fobs","183119","2020-10-21","18:00:00",""
"2107626","14.138","0.003","11.686","0.003","16.583","0.003","90","","90","","90","","2739.8","1","296","2","296.15","","3170000","11","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C15 H14 Mn N2 O6 -","- C15 H14 Mn N2 O6 -","- C120 H112 Mn8 N16 O48 -","8","1","","Madsen, Solveig R.; Moggach, Stephen A.; Overgaard, Jacob; Brummerstedt Iversen, Bo","Anisotropic compressibility of the coordination polymer emim[Mn(btc)]","Acta Crystallographica Section B","2016","72","3","389","394","10.1107/S2052520616005515","","","0.71073","MoKα","","0.1795","0.1053","","","0.2112","0.2482","","","","","","1.077","","","","has coordinates,has Fobs","183119","2020-10-21","18:00:00",""
"2107627","14.14","0.005","11.319","0.005","16.6","0.006","90","","90","","90","","2656.8","1.8","296","2","296.15","","4310000","16","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C15 H14 Mn N2 O6 -","- C15 H14 Mn N2 O6 -","- C120 H112 Mn8 N16 O48 -","8","1","","Madsen, Solveig R.; Moggach, Stephen A.; Overgaard, Jacob; Brummerstedt Iversen, Bo","Anisotropic compressibility of the coordination polymer emim[Mn(btc)]","Acta Crystallographica Section B","2016","72","3","389","394","10.1107/S2052520616005515","","","0.71073","MoKα","","0.1345","0.1022","","","0.2756","0.2986","","","","","","1.289","","","","has coordinates,has Fobs","183119","2020-10-21","18:00:00",""
"2107628","5.3869","0.0005","5.3874","0.0004","24.579","0.003","90","","90.01","0.01","90","","713.32","0.12","","","293","","","","","","","","","4","A 1 2/a 1","-A 2ya","15","bismuth strontium copper oxide","","","- Bi2.27 Cu O6.18 Sr1.73 -","- Bi2.27 Cu O6.246 Sr1.73 -","- Bi9.08 Cu4 O24.984 Sr6.92 -","4","0.5","BP5088","Mironov, Andrei V.; Petříček, Vaclav; Khasanova, Nellie R.; Antipov, Evgeny V.","New insight on bismuth cuprates with incommensurate modulated structures","Acta Crystallographica Section B","2016","72","3","395","403","10.1107/S2052520616005643","","","0.71069","MoKα","","0.0407","0.0407","","","0.0518","0.0518","","","","3.78","3.78","3.78","","","","has coordinates,has Fobs","183120","2020-10-21","18:00:00",""
"2107629","8.4283","0.0001","14.5984","0.0001","15.7057","0.0001","90","","90","","89.9943","0.0003","1932.42","0.03","95","","95","","","","","","","","","5","P 1 21 1 (c,2*a+c,b)","P 2yb (-1/2*x+z,1/2*x,y)","4","","","","- C12 H30 Co N11 O9 -","- C12 H30 Co N11.0006 O9 -","- C48 H120 Co4 N44.0024 O36 -","4","","DK5043","Dey, Somnath; Schönleber, Andreas; Mondal, Swastik; Prathapa, Siriyara Jagannatha; van Smaalen, Sander; Larsen, Finn Krebs","The <i>Z</i>' = 12 superstructure of Λ-cobalt(III) sepulchrate trinitrate governed by C—H···O hydrogen bonds","Acta Crystallographica Section B","2016","72","3","372","380","10.1107/S2052520616005503","","x-ray","0.50917","synchrotron","","0.1519","0.0493","","","0.0595","0.0662","","","","2.11","2.11","1.32","","","","has coordinates,has Fobs","183121","2020-10-21","18:00:00",""
"2107630","8.2451","0.0008","6.5202","0.0006","8.8214","0.0008","90","","96.509","0.003","90","","471.18","0.08","100","2","100","2","","","","","","","","3","P 1 21/m 1","-P 2yb","11","","","","- C11 H19 N -","- C11 H19 N -","- C22 H38 N2 -","2","0.5","GP5081","Mohamed, Sharmarke; Karothu, Durga Prasad; Naumov, Panče","Using crystal structure prediction to rationalize the hydration propensities of substituted adamantane hydrochloride salts","Acta Crystallographica Section B","2016","72","4","551","561","10.1107/S2052520616006326","","","0.71073","MoKα","","0.081","0.0758","","","0.1456","0.1478","","","","","","1.039","","","","has coordinates,has disorder,has Fobs","185006","2020-10-21","18:00:00",""
"2107631","6.6114","0.0003","20.4778","0.001","24.6057","0.0012","90","","90","","90","","3331.3","0.3","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C11 H20 Cl N -","- C11 H20 Cl N -","- C132 H240 Cl12 N12 -","12","3","","Mohamed, Sharmarke; Karothu, Durga Prasad; Naumov, Panče","Using crystal structure prediction to rationalize the hydration propensities of substituted adamantane hydrochloride salts","Acta Crystallographica Section B","2016","72","4","551","561","10.1107/S2052520616006326","","","1.54178","CuKα","","0.0512","0.0481","","","0.1145","0.1162","","","","","","1.06","","","","has coordinates,has Fobs","185006","2020-10-21","18:00:00",""
"2107632","20.275","0.0008","20.275","0.0008","5.0989","0.0002","90","","90","","90","","2096.03","0.14","296.2","0.2","296.2","0.2","","","","","","","","4","I 4/m","-I 4","87","","","","- C21 H27 Cl N2 -","- C21 H26 Cl N2 -","- C84 H104 Cl4 N8 -","4","0.25","","Chodkiewicz, Michał Leszek; Makal, Anna; Gajda, Roman; Vidovic, Dragoslav; Woźniak, Krzysztof","An insight into real and average structure from diffuse X-ray scattering ‒ a case study","Acta Crystallographica Section B","2016","72","4","571","583","10.1107/S2052520616005552","","x-ray","0.71073","MoKα","","0.0514","0.0411","","","0.1239","0.1561","","","","","","1.155","","","","has coordinates,has disorder,has Fobs","185007","2020-10-21","18:00:00",""
"2107633","20.275","0.0008","20.275","0.0008","5.0989","0.0002","90","","90","","90","","2096.03","0.14","296.2","0.2","296.2","0.2","","","","","","","","4","I 4/m","-I 4","87","","","","- C21 H27 Cl N2 -","- C21 H27 Cl N2 -","- C84 H108 Cl4 N8 -","4","0.25","","Chodkiewicz, Michał Leszek; Makal, Anna; Gajda, Roman; Vidovic, Dragoslav; Woźniak, Krzysztof","An insight into real and average structure from diffuse X-ray scattering ‒ a case study","Acta Crystallographica Section B","2016","72","4","571","583","10.1107/S2052520616005552","","x-ray","0.71073","MoKα","","0.0496","0.0395","","","0.1208","0.1535","","","","","","1.166","","","","has coordinates,has disorder,has Fobs","185007","2020-10-21","18:00:00",""
"2107634","19.924","0.01","19.924","0.01","5.088","0.003","90","","90","","90","","2019.8","1.9","100","0.2","100","0.2","","","","","","","","4","I 4/m","-I 4","87","","","","- C21 H27 Cl N2 -","- C21 H27 Cl N2 -","- C84 H108 Cl4 N8 -","4","0.25","","Chodkiewicz, Michał Leszek; Makal, Anna; Gajda, Roman; Vidovic, Dragoslav; Woźniak, Krzysztof","An insight into real and average structure from diffuse X-ray scattering ‒ a case study","Acta Crystallographica Section B","2016","72","4","571","583","10.1107/S2052520616005552","","x-ray","0.71073","MoKα","","0.048","0.04","","","0.1131","0.1318","","","","","","1.124","","","","has coordinates,has disorder,has Fobs","185007","2020-10-21","18:00:00",""
"2107635","19.924","0.01","19.924","0.01","5.088","0.003","90","","90","","90","","2019.8","1.9","100","0.2","100","0.2","","","","","","","","4","I 4/m","-I 4","87","","","","- C21 H27 Cl N2 -","- C21 H27 Cl N2 -","- C84 H108 Cl4 N8 -","4","0.25","","Chodkiewicz, Michał Leszek; Makal, Anna; Gajda, Roman; Vidovic, Dragoslav; Woźniak, Krzysztof","An insight into real and average structure from diffuse X-ray scattering ‒ a case study","Acta Crystallographica Section B","2016","72","4","571","583","10.1107/S2052520616005552","","x-ray","0.71073","MoKα","","0.0454","0.0378","","","0.1084","0.1276","","","","","","1.124","","","","has coordinates,has disorder,has Fobs","185007","2020-10-21","18:00:00",""
"2107636","9.2196","0.0006","8.9077","0.0006","8.83","0.0006","90","","108.69","0.007","90","","686.93","0.08","303","2","303","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C6 H15 As2 N3 O10 -","- C6 H15 As2 N3 O10 -","- C12 H30 As4 N6 O20 -","2","1","GW5042","Tyagi, Nidhi; Sinha, Nidhi; Yadav, Harsh; Kumar, Binay","Growth, morphology, structure and characterization of <small>L</small>-histidinium dihydrogen arsenate orthoarsenic acid single crystal","Acta Crystallographica Section B","2016","72","4","593","601","10.1107/S2052520616007629","","","0.71073","MoKα","","0.0716","0.0689","","","0.1969","0.2026","","","","","","1.121","","","","has coordinates,has Fobs","184760","2020-10-21","18:00:00",""
"2107637","9.6664","0.0009","9.6664","0.0009","2.8645","0.0003","90","","90","","90","","267.66","0.05","293","","293","","","","","","","","","3","P 4/m b m","-P 4 2ab","127","indium molybdate","indium tetramolybdenum hexoxide","","- In Mo4 O6 -","- In Mo4 O6 -","- In2 Mo8 O12 -","2","0.125","DK5041","Schultz, Peter; Simon, Arndt; Oeckler, Oliver","Modulated crystal structure of InMo~4~O~6~","Acta Crystallographica Section B","2016","72","4","642","649","10.1107/S205252061600874X","","x-ray","0.71069","MoKα","","0.0456","0.0389","","","0.0739","0.076","","","","3.85","3.85","3.66","","","","has coordinates","184761","2020-10-21","18:00:00",""
"2107638","12.9577","0.0005","13.0369","0.0004","16.3908","0.0005","90","","90","","90","","2768.87","0.16","130","2","130","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","ethyl ester of glycyrrhetinic acid","ethyl-3/b-hydroxy-11-oxoolean-12-en-30-oate","","- C32 H50 O4 -","- C32 H50 O4 -","- C128 H200 O16 -","4","1","","Langer, Dominik; Wicher, Barbara; Szczołko, Wojciech; Gdaniec, Maria; Tykarska, Ewa","Self-assembly modes of glycyrrhetinic acid esters in view of the crystal packing of related triterpene molecules","Acta Crystallographica Section B","2016","72","4","584","592","10.1107/S2052520616008180","","","0.71073","MoKα","","0.0631","0.0427","","","0.0697","0.0749","","","","","","0.923","","","","has coordinates,has Fobs","184762","2020-10-21","18:00:00",""
"2107639","11.7789","0.0002","13.0812","0.0003","18.7845","0.0004","90","","90","","90","","2894.36","0.1","130","2","130","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","isopropyl ester of glycyrrhetinic acid","isopropyl-3/b-hydroxy-11-oxoolean-12-en-30-oate","","- C33 H52 O4 -","- C33 H52 O4 -","- C132 H208 O16 -","4","1","","Langer, Dominik; Wicher, Barbara; Szczołko, Wojciech; Gdaniec, Maria; Tykarska, Ewa","Self-assembly modes of glycyrrhetinic acid esters in view of the crystal packing of related triterpene molecules","Acta Crystallographica Section B","2016","72","4","584","592","10.1107/S2052520616008180","","","1.54184","CuKα","","0.0566","0.0526","","","0.139","0.1436","","","","","","1.076","","","","has coordinates,has Fobs","184762","2020-10-21","18:00:00",""
"2107640","12.87","0.0001","13.6972","0.0002","18.5682","0.0003","90","","90","","90","","3273.26","0.08","130","2","130","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","4-etylmorpholine ester of glycyrrhetinic acid","2-(morpholin-4-yl)ethyl-3/b-hydroxy-11-oxoolean-12-en-30-oate","","- C36 H57 N O5 -","- C36 H57 N O5 -","- C144 H228 N4 O20 -","4","1","","Langer, Dominik; Wicher, Barbara; Szczołko, Wojciech; Gdaniec, Maria; Tykarska, Ewa","Self-assembly modes of glycyrrhetinic acid esters in view of the crystal packing of related triterpene molecules","Acta Crystallographica Section B","2016","72","4","584","592","10.1107/S2052520616008180","","","1.54178","CuKα","","0.0406","0.0388","","","0.1075","0.1096","","","","","","1.042","","","","has coordinates,has Fobs","184762","2020-10-21","18:00:00",""
"2107952","3.8551","0.0003","3.8551","0.0003","11.6782","0.0008","90","","90","","90","","173.56","0.02","293","","293","","","","","","","","","6","P 4/m m m","-P 4 2","123","YBCO","","","- Al0.16 Ba2 Ca0.05 Cu2.84 O6.75 Y0.95 -","- Al0.156 Ba2 Ca0.052 Cu2.844 O6.74 Y0.948 -","- Al0.156 Ba2 Ca0.052 Cu2.844 O6.74 Y0.948 -","1","0.0625","YB5010","Pascale, Lise; Truccato, Marco; Operti, Lorenza; Agostino, Angelo","Effect of Al and Ca co-doping, in the presence of Te, in superconducting YBCO whiskers growth","Acta Crystallographica Section B","2016","72","5","702","708","10.1107/S2052520616009823","","","0.7107","MoKα","","0.0207","0.0207","","","0.0375","0.0375","","","","","","1.52","","","","has coordinates","186963","2020-10-21","18:00:00",""
"2107953","3.8526","0.0005","3.8526","0.0005","11.666","0.0015","90","","90","","90","","173.15","0.04","293","","293","","","","","","","","","6","P 4/m m m","-P 4 2","123","YBCO","","","- Al0.1 Ba2 Ca0.08 Cu2.9 O6.89 Y0.92 -","- Al0.101 Ba2 Ca0.077 Cu2.899 O6.88 Y0.923 -","- Al0.101 Ba2 Ca0.077 Cu2.899 O6.88 Y0.923 -","1","0.0625","","Pascale, Lise; Truccato, Marco; Operti, Lorenza; Agostino, Angelo","Effect of Al and Ca co-doping, in the presence of Te, in superconducting YBCO whiskers growth","Acta Crystallographica Section B","2016","72","5","702","708","10.1107/S2052520616009823","","","0.7107","MoKα","","0.0199","0.0199","","","0.0274","0.0274","","","","","","0.92","","","","has coordinates","186963","2020-10-21","18:00:00",""
"2107954","8.88375","0.00018","8.88375","0.00018","12.701","0.0003","90","","90","","90","","1002.38","0.04","293","","293","","","","","","","","","5","I 4 2 2","I 4 2","97","","","","- C H6 I3 N Pb -","- C H6 I3 N Pb -","- C4 H24 I12 N4 Pb4 -","4","0.25","DK5045","Arakcheeva, Alla; Chernyshov, Dmitry; Spina, Massimo; Forró, László; Horváth, Endre","CH~3~NH~3~PbI~3~: precise structural consequences of water absorption at ambient conditions","Acta Crystallographica Section B","2016","72","5","716","722","10.1107/S2052520616010428","","","0.68362","synchrotron","","0.0129","0.0118","","","0.0149","0.0153","","","","","","1.19","","","","has coordinates","186964","2020-10-21","18:00:00",""
"2107955","8.8829","0.0003","8.8829","0.0003","12.7008","0.0004","90","","90","","90","","1002.17","0.06","293","","293","","","","","","","","","6","P 42 21 2","P 4n 2n","94","","","","- C0.925 H5.55 I2.982 N0.925 O0.088 Pb -","- C0.924 H5.544 I2.98 N0.924 O0.088 Pb -","- C3.696 H22.176 I11.92 N3.696 O0.352 Pb4 -","4","0.5","DK5045","Arakcheeva, Alla; Chernyshov, Dmitry; Spina, Massimo; Forró, László; Horváth, Endre","CH~3~NH~3~PbI~3~: precise structural consequences of water absorption at ambient conditions","Acta Crystallographica Section B","2016","72","5","716","722","10.1107/S2052520616010428","","","0.68362","synchrotron","","0.0756","0.0411","","","0.058","0.0676","","","","","","1.52","","","","has coordinates,has Fobs","186964","2020-10-21","18:00:00",""
"2107956","8.9389","0.0005","9.7292","0.0007","16.065","0.0008","89.067","0.005","78.856","0.004","62.927","0.006","1216.48","0.15","170","2","170","2","","","","","","","","4","P -1","-P 1","2","","","","- C28 H26 N4 O2 -","- C28 H26 N4 O2 -","- C56 H52 N8 O4 -","2","1","EB5049","Di Paolo, Matias; Bossi, Mariano L.; Baggio, Ricardo; Suarez, Sebastián A.","Two rhodamine 6G derivative compounds: a structural and fluorescence single-crystal study","Acta Crystallographica Section B","2016","72","5","684","692","10.1107/S2052520616009343","","","0.71073","MoKα","","0.1112","0.0653","","","0.165","0.2026","","","","","","0.909","","","","has coordinates,has disorder,has Fobs","186965","2020-10-21","18:00:00",""
"2107957","9.425","0.0006","11.6209","0.0004","12.608","0.0005","88.708","0.003","68.696","0.005","86.313","0.004","1283.89","0.11","170","2","170","2","","","","","","","","4","P -1","-P 1","2","","","","- C30 H33 N3 O4 -","- C30 H33 N3 O4 -","- C60 H66 N6 O8 -","2","1","EB5049","Di Paolo, Matias; Bossi, Mariano L.; Baggio, Ricardo; Suarez, Sebastián A.","Two rhodamine 6G derivative compounds: a structural and fluorescence single-crystal study","Acta Crystallographica Section B","2016","72","5","684","692","10.1107/S2052520616009343","","","0.71073","MoKα","","0.1033","0.0598","","","0.1339","0.1712","","","","","","1.037","","","","has coordinates,has Fobs","186965","2020-10-21","18:00:00",""
"2107958","16.663","0.006","7.943","0.005","8.924","0.005","90","","94.725","0.005","90","","1177.1","1.1","294","2","294","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C10 H12 Br2 O2 -","- C10 H12 Br2 O2 -","- C40 H48 Br8 O8 -","4","1","LO5009","Suarez, Sebastián A.; Muller, Federico; Gutiérrez Suburu, Matías E.; Fonrouge, Ana; Baggio, Ricardo F.; Cukiernik, Fabio D.","Br···Br and van der Waals interactions along a homologous series: crystal packing of 1,2-dibromo-4,5-dialkoxybenzenes","Acta Crystallographica Section B","2016","72","5","693","701","10.1107/S2052520616009835","","","0.71073","MoKα","","0.1599","0.0774","","","0.1909","0.2646","","","","","","0.967","","","","has coordinates,has Fobs","186966","2020-10-21","18:00:00",""
"2107959","39.897","0.006","8.421","0.004","9.321","0.005","90","","91.622","0.005","90","","3130","2","294","2","294","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C30 H52 Br2 O2 -","- C30 H52 Br2 O2 -","- C120 H208 Br8 O8 -","4","1","","Suarez, Sebastián A.; Muller, Federico; Gutiérrez Suburu, Matías E.; Fonrouge, Ana; Baggio, Ricardo F.; Cukiernik, Fabio D.","Br···Br and van der Waals interactions along a homologous series: crystal packing of 1,2-dibromo-4,5-dialkoxybenzenes","Acta Crystallographica Section B","2016","72","5","693","701","10.1107/S2052520616009835","","","0.71073","MoKα","","0.164","0.0929","","","0.1996","0.2304","","","","","","1.053","","","","has coordinates,has Fobs","186966","2020-10-21","18:00:00",""
"2107960","45.22","0.007","8.374","0.004","9.279","0.004","90","","91.809","0.005","90","","3512","2","294","2","294","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C34 H60 Br2 O2 -","- C34 H60 Br2 O2 -","- C136 H240 Br8 O8 -","4","1","","Suarez, Sebastián A.; Muller, Federico; Gutiérrez Suburu, Matías E.; Fonrouge, Ana; Baggio, Ricardo F.; Cukiernik, Fabio D.","Br···Br and van der Waals interactions along a homologous series: crystal packing of 1,2-dibromo-4,5-dialkoxybenzenes","Acta Crystallographica Section B","2016","72","5","693","701","10.1107/S2052520616009835","","","0.71073","MoKα","","0.1752","0.1074","","","0.2824","0.3195","","","","","","1.035","","","","has coordinates,has Fobs","186966","2020-10-21","18:00:00",""
"2107961","110.75","0.005","8.2292","0.0003","9.1539","0.0003","90","","92.268","0.002","90","","8336.2","0.6","294","2","294","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C42 H76 Br2 O2 -","- C42 H76 Br2 O2 -","- C336 H608 Br16 O16 -","8","1","","Suarez, Sebastián A.; Muller, Federico; Gutiérrez Suburu, Matías E.; Fonrouge, Ana; Baggio, Ricardo F.; Cukiernik, Fabio D.","Br···Br and van der Waals interactions along a homologous series: crystal packing of 1,2-dibromo-4,5-dialkoxybenzenes","Acta Crystallographica Section B","2016","72","5","693","701","10.1107/S2052520616009835","","","0.71073","MoKα","","0.1329","0.1132","","","0.2814","0.2923","","","","","","1.129","","","","has coordinates,has Fobs","186966","2020-10-21","18:00:00",""
"2107962","8.7977","0.0009","10.3488","0.001","13.4887","0.001","84.101","0.007","87.035","0.007","73.903","0.009","1173.34","0.19","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- C24 H34 N6 -","- C24 H34 N6 -","- C48 H68 N12 -","2","1","","Raghavaiah, P.; Kuladeep, R.; Narayana Rao, D.; Jyothi Lakshmi, A.; Srujana, P.; Subbalakshmi, J.","<i>Bis</i>-(1-(2-aminoethyl)piperidino), (2-(2-aminoethyl)pyridino) and (1-(2-aminoethyl)pyrrolidino)-substituted dicyanoquinodimethanes: consequences of flexible ethylene spacers with heterocyclic moieties and amine functionalities","Acta Crystallographica Section B","2016","72","5","709","715","10.1107/S2052520616009537","","","0.71073","MoKα","","0.1078","0.0594","","","0.1274","0.1581","","","","","","1.015","","","","has coordinates,has Fobs","186967","2020-10-21","18:00:00",""
"2107963","8.2134","0.0011","12.2105","0.0011","21.052","0.003","90","","90","","90","","2111.3","0.5","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C24 H22 N6 -","- C24 H22 N6 -","- C96 H88 N24 -","4","1","","Raghavaiah, P.; Kuladeep, R.; Narayana Rao, D.; Jyothi Lakshmi, A.; Srujana, P.; Subbalakshmi, J.","<i>Bis</i>-(1-(2-aminoethyl)piperidino), (2-(2-aminoethyl)pyridino) and (1-(2-aminoethyl)pyrrolidino)-substituted dicyanoquinodimethanes: consequences of flexible ethylene spacers with heterocyclic moieties and amine functionalities","Acta Crystallographica Section B","2016","72","5","709","715","10.1107/S2052520616009537","","","0.71073","MoKα","","0.1534","0.071","","","0.0907","0.1228","","","","","","0.951","","","","has coordinates,has Fobs","186967","2020-10-21","18:00:00",""
"2107964","13.143","0.0012","10.3517","0.0009","16.1607","0.0015","90","","101.651","0.001","90","","2153.4","0.3","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C22 H30 N6 -","- C22 H30 N6 -","- C88 H120 N24 -","4","1","","Raghavaiah, P.; Kuladeep, R.; Narayana Rao, D.; Jyothi Lakshmi, A.; Srujana, P.; Subbalakshmi, J.","<i>Bis</i>-(1-(2-aminoethyl)piperidino), (2-(2-aminoethyl)pyridino) and (1-(2-aminoethyl)pyrrolidino)-substituted dicyanoquinodimethanes: consequences of flexible ethylene spacers with heterocyclic moieties and amine functionalities","Acta Crystallographica Section B","2016","72","5","709","715","10.1107/S2052520616009537","","","0.71073","MoKα","","0.0752","0.0511","","","0.1391","0.1573","","","","","","1.031","","","","has coordinates,has Fobs","186967","2020-10-21","18:00:00",""
"2107965","7.3215","0.0001","9.8106","0.0001","6.7539","0.0001","90","","115.71","0.002","90","","437.095","0.012","110","2","110","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","2-nitroimidazole","","","- C3 H3 N3 O2 -","- C3 H3 N3 O2 -","- C12 H12 N12 O8 -","4","1","GW5044","Kalaiarasi, Chinnasamy; Pavan, Mysore S.; Kumaradhas, Poomani","Topological characterization of electron density, electrostatic potential and intermolecular interactions of 2-nitroimidazole: an experimental and theoretical study","Acta Crystallographica Section B","2016","72","5","775","786","10.1107/S2052520616010581","","x-ray","0.71073","MoKα","","0.034","0.023","","","","0.046","","","","","","1.635","","","","has coordinates","186840","2020-10-21","18:00:00",""
"2107966","5.6366","0.0004","11.0112","0.0008","17.8309","0.0014","90","","90","","90","","1106.69","0.14","100","","100","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C9 H16 S Si -","- C9 H16 S Si -","- C36 H64 S4 Si4 -","4","1","PS5052","Lumpi, Daniel; Kautny, Paul; Stöger, Berthold; Fröhlich, Johannes","Crystal chemistry of trialkylsilyl-capped (3<i>Z</i>)-4-(methylthio)-3-penten-1-yne: polymorphism, twinning and ambiguity of order‒disorder descriptions","Acta Crystallographica Section B","2016","72","5","753","762","10.1107/S2052520616010969","","","0.71073","MoKα","","0.03","0.0247","","","0.0276","0.0281","","","","","","1.52","","","","has coordinates,has Fobs","186841","2020-10-21","18:00:00",""
"2107967","7.962","0.002","13.842","0.003","15.326","0.003","92.33","0.006","99.313","0.01","90.721","0.011","1665.1","0.6","100","","100","","","","","","","","","4","P -1","-P 1","2","","","","- C15 H28 S Si -","- C15 H28 S Si -","- C60 H112 S4 Si4 -","4","2","","Lumpi, Daniel; Kautny, Paul; Stöger, Berthold; Fröhlich, Johannes","Crystal chemistry of trialkylsilyl-capped (3<i>Z</i>)-4-(methylthio)-3-penten-1-yne: polymorphism, twinning and ambiguity of order‒disorder descriptions","Acta Crystallographica Section B","2016","72","5","753","762","10.1107/S2052520616010969","","","0.71069","MoKα","","0.0995","0.0565","","","0.0511","0.054","","","","","","1.74","","","","has coordinates,has Fobs","186841","2020-10-21","18:00:00",""
"2107968","9.4082","0.0007","11.2004","0.0008","16.3446","0.0012","79.108","0.003","83.424","0.003","89.3","0.003","1680.1","0.2","100","","100","","","","","","","","","4","P -1","-P 1","2","","","","- C15 H28 S Si -","- C15 H28 S Si -","- C60 H112 S4 Si4 -","4","2","","Lumpi, Daniel; Kautny, Paul; Stöger, Berthold; Fröhlich, Johannes","Crystal chemistry of trialkylsilyl-capped (3<i>Z</i>)-4-(methylthio)-3-penten-1-yne: polymorphism, twinning and ambiguity of order‒disorder descriptions","Acta Crystallographica Section B","2016","72","5","753","762","10.1107/S2052520616010969","","","0.71073","MoKα","","0.0661","0.0385","","","0.0417","0.0431","","","","","","1.95","","","","has coordinates,has Fobs","186841","2020-10-21","18:00:00",""
"2107969","6.2535","0.0007","7.2501","0.0008","32.335","0.004","92.496","0.006","91.452","0.006","107.191","0.006","1398.1","0.3","100","","100","","","","","","","","","4","P -1","-P 1","2","","","","- C12 H22 S Si -","- C12 H22 S Si -","- C48 H88 S4 Si4 -","4","2","","Lumpi, Daniel; Kautny, Paul; Stöger, Berthold; Fröhlich, Johannes","Crystal chemistry of trialkylsilyl-capped (3<i>Z</i>)-4-(methylthio)-3-penten-1-yne: polymorphism, twinning and ambiguity of order‒disorder descriptions","Acta Crystallographica Section B","2016","72","5","753","762","10.1107/S2052520616010969","","","0.71069","MoKα","","0.0477","0.0438","","","0.0538","0.0545","","","","","","2.37","","","","has coordinates,has Fobs","186841","2020-10-21","18:00:00",""
"2107970","8.3052","0.0005","6.1117","0.0003","23.7414","0.0013","90","","93.652","0.002","90","","1202.64","0.11","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C22 H33 N3 O6 S -","- C22 H33 N3 O6 S -","- C44 H66 N6 O12 S2 -","2","1","AO5012","Zhou, Xinbo; Hu, Xiurong; Wu, Suxiang; Ye, Jiali; Sun, Mengying; Gu, Jianming; Zhu, Jianrong; Zhang, Zhongliang","Structures and physicochemical properties of vortioxetine salts","Acta Crystallographica Section B","2016","72","5","723","732","10.1107/S2052520616010556","","","0.71073","MoKα","","0.0762","0.0361","","","0.0779","0.1128","","","","","","1.004","","","","has coordinates","186842","2020-10-21","18:00:00",""
"2107971","16.9513","0.0009","6.9458","0.0005","21.5346","0.0011","90","","95.409","0.001","90","","2524.2","0.3","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C25 H30 N2 O4 S -","- C25 H30 N2 O4 S -","- C100 H120 N8 O16 S4 -","4","1","AO5012","Zhou, Xinbo; Hu, Xiurong; Wu, Suxiang; Ye, Jiali; Sun, Mengying; Gu, Jianming; Zhu, Jianrong; Zhang, Zhongliang","Structures and physicochemical properties of vortioxetine salts","Acta Crystallographica Section B","2016","72","5","723","732","10.1107/S2052520616010556","","","0.71073","MoKα","","0.1487","0.0679","","","0.1431","0.1922","","","","","","1.005","","","","has coordinates","186842","2020-10-21","18:00:00",""
"2107972","8.6363","0.0003","20.6504","0.0008","12.9243","0.0006","90","","93.435","0.001","90","","2300.82","0.16","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C25 H28 N2 O3 S -","- C25 H28 N2 O3 S -","- C100 H112 N8 O12 S4 -","4","1","AO5012","Zhou, Xinbo; Hu, Xiurong; Wu, Suxiang; Ye, Jiali; Sun, Mengying; Gu, Jianming; Zhu, Jianrong; Zhang, Zhongliang","Structures and physicochemical properties of vortioxetine salts","Acta Crystallographica Section B","2016","72","5","723","732","10.1107/S2052520616010556","","","0.71073","MoKα","","0.0946","0.046","","","0.1041","0.1373","","","","","","1.003","","","","has coordinates","186842","2020-10-21","18:00:00",""
"2107973","6.8375","0.0003","15.8835","0.0007","23.2329","0.0009","90","","92.451","0.001","90","","2520.86","0.18","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C25 H27 N3 O3 S2 -","- C25 H27 N3 O3 S2 -","- C100 H108 N12 O12 S8 -","4","1","AO5012","Zhou, Xinbo; Hu, Xiurong; Wu, Suxiang; Ye, Jiali; Sun, Mengying; Gu, Jianming; Zhu, Jianrong; Zhang, Zhongliang","Structures and physicochemical properties of vortioxetine salts","Acta Crystallographica Section B","2016","72","5","723","732","10.1107/S2052520616010556","","","0.71073","MoKα","","0.09","0.0463","","","0.1078","0.1482","","","","","","1.002","","","","has coordinates","186842","2020-10-21","18:00:00",""
"2107974","16.9383","0.0008","6.5283","0.0003","17.8173","0.0009","90","","111.406","0.002","90","","1834.3","0.15","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H23 Cl N2 S -","- C18 H23 Cl N2 S -","- C72 H92 Cl4 N8 S4 -","4","1","AO5012","Zhou, Xinbo; Hu, Xiurong; Wu, Suxiang; Ye, Jiali; Sun, Mengying; Gu, Jianming; Zhu, Jianrong; Zhang, Zhongliang","Structures and physicochemical properties of vortioxetine salts","Acta Crystallographica Section B","2016","72","5","723","732","10.1107/S2052520616010556","","","0.71073","MoKα","","0.1004","0.0485","","","0.1014","0.1382","","","","","","1","","","","has coordinates","186842","2020-10-21","18:00:00",""
"2107975","20.9755","0.0012","7.716","0.0004","10.6432","0.0007","90","","93.067","0.002","90","","1720.1","0.17","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C36 H45 Cl N4 S2 -","- C36 H45 Cl N4 S2 -","- C72 H90 Cl2 N8 S4 -","2","0.5","AO5012","Zhou, Xinbo; Hu, Xiurong; Wu, Suxiang; Ye, Jiali; Sun, Mengying; Gu, Jianming; Zhu, Jianrong; Zhang, Zhongliang","Structures and physicochemical properties of vortioxetine salts","Acta Crystallographica Section B","2016","72","5","723","732","10.1107/S2052520616010556","","","0.71073","MoKα","","0.1363","0.097","","","0.2615","0.2955","","","","","","1","","","","has coordinates","186842","2020-10-21","18:00:00",""
"2107976","13.0982","0.0008","18.2551","0.0009","7.8088","0.0004","90","","100.698","0.002","90","","1834.7","0.17","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H23 Br N2 S -","- C18 H23 Br N2 S -","- C72 H92 Br4 N8 S4 -","4","1","AO5012","Zhou, Xinbo; Hu, Xiurong; Wu, Suxiang; Ye, Jiali; Sun, Mengying; Gu, Jianming; Zhu, Jianrong; Zhang, Zhongliang","Structures and physicochemical properties of vortioxetine salts","Acta Crystallographica Section B","2016","72","5","723","732","10.1107/S2052520616010556","","","0.71073","MoKα","","0.1075","0.0494","","","0.1072","0.1493","","","","","","1.004","","","","has coordinates","186842","2020-10-21","18:00:00",""
"2107977","21.1781","0.0012","7.8799","0.0004","10.5126","0.0008","90","","87.993","0.002","90","","1753.28","0.19","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C36 H45 Br N4 S2 -","- C36 H45 Br N4 S2 -","- C72 H90 Br2 N8 S4 -","2","0.5","AO5012","Zhou, Xinbo; Hu, Xiurong; Wu, Suxiang; Ye, Jiali; Sun, Mengying; Gu, Jianming; Zhu, Jianrong; Zhang, Zhongliang","Structures and physicochemical properties of vortioxetine salts","Acta Crystallographica Section B","2016","72","5","723","732","10.1107/S2052520616010556","","","0.71073","MoKα","","0.1369","0.0923","","","0.2438","0.2869","","","","","","1.003","","","","has coordinates","186842","2020-10-21","18:00:00",""
"2107978","11.6341","0.0017","17.8996","0.0016","20.096","0.003","90","","101.098","0.012","90","","4106.6","0.9","90","2","90","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C42 H67 N O3 S Si -","- C42 H67 N O3 S Si -","- C168 H268 N4 O12 S4 Si4 -","4","1","EB5051","Mielcarek, Agnieszka; Daszkiewicz, Marek; Kazimierczuk, Katarzyna; Ciborska, Anna; Dołega, Anna","Variable-temperature X-ray diffraction study of structural parameters of NH—S hydrogen bonds in triethylammonium and pyridinium silanethiolates","Acta Crystallographica Section B","2016","72","5","763","770","10.1107/S2052520616011562","","","0.71073","MoKα","","0.0797","0.0501","","","0.0966","0.1045","","","","","","0.879","","","","has coordinates,has Fobs","186843","2020-10-21","18:00:00",""
"2107979","11.6463","0.0011","17.9257","0.0012","20.11","0.003","90","","101.06","0.009","90","","4120.3","0.8","120","2","120","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C42 H67 N O3 S Si -","- C42 H67 N O3 S Si -","- C168 H268 N4 O12 S4 Si4 -","4","1","EB5051","Mielcarek, Agnieszka; Daszkiewicz, Marek; Kazimierczuk, Katarzyna; Ciborska, Anna; Dołega, Anna","Variable-temperature X-ray diffraction study of structural parameters of NH—S hydrogen bonds in triethylammonium and pyridinium silanethiolates","Acta Crystallographica Section B","2016","72","5","763","770","10.1107/S2052520616011562","","","0.71073","MoKα","","0.0493","0.0378","","","0.0787","0.0814","","","","","","0.983","","","","has coordinates,has Fobs","186843","2020-10-21","18:00:00",""
"2107980","11.6801","0.0009","17.9212","0.001","20.1555","0.0015","90","","100.954","0.006","90","","4142.1","0.5","150","2","150","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C42 H67 N O3 S Si -","- C42 H67 N O3 S Si -","- C168 H268 N4 O12 S4 Si4 -","4","1","EB5051","Mielcarek, Agnieszka; Daszkiewicz, Marek; Kazimierczuk, Katarzyna; Ciborska, Anna; Dołega, Anna","Variable-temperature X-ray diffraction study of structural parameters of NH—S hydrogen bonds in triethylammonium and pyridinium silanethiolates","Acta Crystallographica Section B","2016","72","5","763","770","10.1107/S2052520616011562","","","0.71073","MoKα","","0.0345","0.03","","","0.0688","0.0705","","","","","","1.009","","","","has coordinates,has Fobs","186843","2020-10-21","18:00:00",""
"2107981","11.6874","0.0011","17.9345","0.0012","20.1975","0.0018","90","","100.976","0.007","90","","4156.1","0.6","165","2","165","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C42 H67 N O3 S Si -","- C42 H67 N O3 S Si -","- C168 H268 N4 O12 S4 Si4 -","4","1","EB5051","Mielcarek, Agnieszka; Daszkiewicz, Marek; Kazimierczuk, Katarzyna; Ciborska, Anna; Dołega, Anna","Variable-temperature X-ray diffraction study of structural parameters of NH—S hydrogen bonds in triethylammonium and pyridinium silanethiolates","Acta Crystallographica Section B","2016","72","5","763","770","10.1107/S2052520616011562","","","0.71073","MoKα","","0.0424","0.0351","","","0.0754","0.0786","","","","","","0.977","","","","has coordinates,has Fobs","186843","2020-10-21","18:00:00",""
"2107982","11.703","0.0012","17.9455","0.0013","20.2104","0.0019","90","","101.001","0.008","90","","4166.5","0.7","180","2","180","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C42 H67 N O3 S Si -","- C42 H67 N O3 S Si -","- C168 H268 N4 O12 S4 Si4 -","4","1","EB5051","Mielcarek, Agnieszka; Daszkiewicz, Marek; Kazimierczuk, Katarzyna; Ciborska, Anna; Dołega, Anna","Variable-temperature X-ray diffraction study of structural parameters of NH—S hydrogen bonds in triethylammonium and pyridinium silanethiolates","Acta Crystallographica Section B","2016","72","5","763","770","10.1107/S2052520616011562","","","0.71073","MoKα","","0.0446","0.0363","","","0.0763","0.0794","","","","","","0.978","","","","has coordinates,has Fobs","186843","2020-10-21","18:00:00",""
"2107983","11.7471","0.0014","17.9659","0.0015","20.25","0.002","90","","100.904","0.009","90","","4196.5","0.7","210","2","210","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C42 H67 N O3 S Si -","- C42 H67 N O3 S Si -","- C168 H268 N4 O12 S4 Si4 -","4","1","EB5051","Mielcarek, Agnieszka; Daszkiewicz, Marek; Kazimierczuk, Katarzyna; Ciborska, Anna; Dołega, Anna","Variable-temperature X-ray diffraction study of structural parameters of NH—S hydrogen bonds in triethylammonium and pyridinium silanethiolates","Acta Crystallographica Section B","2016","72","5","763","770","10.1107/S2052520616011562","","","0.71073","MoKα","","0.0583","0.0442","","","0.0913","0.0971","","","","","","0.966","","","","has coordinates,has Fobs","186843","2020-10-21","18:00:00",""
"2107984","11.801","0.002","18.019","0.002","20.201","0.004","90","","100.958","0.015","90","","4217.3","1.2","240","2","240","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C42 H67 N O3 S Si -","- C42 H67 N O3 S Si -","- C168 H268 N4 O12 S4 Si4 -","4","1","EB5051","Mielcarek, Agnieszka; Daszkiewicz, Marek; Kazimierczuk, Katarzyna; Ciborska, Anna; Dołega, Anna","Variable-temperature X-ray diffraction study of structural parameters of NH—S hydrogen bonds in triethylammonium and pyridinium silanethiolates","Acta Crystallographica Section B","2016","72","5","763","770","10.1107/S2052520616011562","","","0.71073","MoKα","","0.0727","0.0593","","","0.159","0.1808","","","","","","1.04","","","","has coordinates,has Fobs","186843","2020-10-21","18:00:00",""
"2107985","13.4301","0.0011","16.2937","0.0008","18.8001","0.0014","90","","106.835","0.006","90","","3937.6","0.5","90","2","90","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C41 H57 N O3 S Si -","- C41 H57 N O3 S Si -","- C164 H228 N4 O12 S4 Si4 -","4","1","EB5051","Mielcarek, Agnieszka; Daszkiewicz, Marek; Kazimierczuk, Katarzyna; Ciborska, Anna; Dołega, Anna","Variable-temperature X-ray diffraction study of structural parameters of NH—S hydrogen bonds in triethylammonium and pyridinium silanethiolates","Acta Crystallographica Section B","2016","72","5","763","770","10.1107/S2052520616011562","","","0.71073","MoKα","","0.0686","0.0441","","","0.1005","0.1113","","","","","","1.024","","","","has coordinates,has Fobs","186843","2020-10-21","18:00:00",""
"2107986","13.4487","0.0012","16.3096","0.0009","18.8302","0.0016","90","","106.902","0.006","90","","3951.9","0.5","120","2","120","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C41 H57 N O3 S Si -","- C41 H57 N O3 S Si -","- C164 H228 N4 O12 S4 Si4 -","4","1","EB5051","Mielcarek, Agnieszka; Daszkiewicz, Marek; Kazimierczuk, Katarzyna; Ciborska, Anna; Dołega, Anna","Variable-temperature X-ray diffraction study of structural parameters of NH—S hydrogen bonds in triethylammonium and pyridinium silanethiolates","Acta Crystallographica Section B","2016","72","5","763","770","10.1107/S2052520616011562","","","0.71073","MoKα","","0.0727","0.0457","","","0.1026","0.1145","","","","","","1.02","","","","has coordinates,has Fobs","186843","2020-10-21","18:00:00",""
"2107987","13.4625","0.0006","16.3181","0.0005","18.8624","0.0008","90","","106.983","0.003","90","","3963","0.3","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C41 H57 N O3 S Si -","- C41 H57 N O3 S Si -","- C164 H228 N4 O12 S4 Si4 -","4","1","EB5051","Mielcarek, Agnieszka; Daszkiewicz, Marek; Kazimierczuk, Katarzyna; Ciborska, Anna; Dołega, Anna","Variable-temperature X-ray diffraction study of structural parameters of NH—S hydrogen bonds in triethylammonium and pyridinium silanethiolates","Acta Crystallographica Section B","2016","72","5","763","770","10.1107/S2052520616011562","","","0.71073","MoKα","","0.0796","0.0461","","","0.1059","0.1219","","","","","","1.013","","","","has coordinates,has Fobs","186843","2020-10-21","18:00:00",""
"2107988","13.4813","0.0014","16.3521","0.001","18.8926","0.0018","90","","107.073","0.008","90","","3981.3","0.6","180","2","180","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C41 H57 N O3 S Si -","- C41 H57 N O3 S Si -","- C164 H228 N4 O12 S4 Si4 -","4","1","EB5051","Mielcarek, Agnieszka; Daszkiewicz, Marek; Kazimierczuk, Katarzyna; Ciborska, Anna; Dołega, Anna","Variable-temperature X-ray diffraction study of structural parameters of NH—S hydrogen bonds in triethylammonium and pyridinium silanethiolates","Acta Crystallographica Section B","2016","72","5","763","770","10.1107/S2052520616011562","","","0.71073","MoKα","","0.0801","0.0462","","","0.1058","0.122","","","","","","1.013","","","","has coordinates,has Fobs","186843","2020-10-21","18:00:00",""
"2107989","13.5052","0.0013","16.382","0.001","18.9409","0.0018","90","","107.106","0.007","90","","4005.1","0.6","210","2","210","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C41 H57 N O3 S Si -","- C41 H57 N O3 S Si -","- C164 H228 N4 O12 S4 Si4 -","4","1","EB5051","Mielcarek, Agnieszka; Daszkiewicz, Marek; Kazimierczuk, Katarzyna; Ciborska, Anna; Dołega, Anna","Variable-temperature X-ray diffraction study of structural parameters of NH—S hydrogen bonds in triethylammonium and pyridinium silanethiolates","Acta Crystallographica Section B","2016","72","5","763","770","10.1107/S2052520616011562","","","0.71073","MoKα","","0.1113","0.051","","","0.1068","0.1308","","","","","","0.97","","","","has coordinates,has Fobs","186843","2020-10-21","18:00:00",""
"2107990","13.5221","0.0018","16.3924","0.0013","18.982","0.002","90","","107.079","0.01","90","","4022","0.8","240","2","240","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C41 H57 N O3 S Si -","- C41 H57 N O3 S Si -","- C164 H228 N4 O12 S4 Si4 -","4","1","EB5051","Mielcarek, Agnieszka; Daszkiewicz, Marek; Kazimierczuk, Katarzyna; Ciborska, Anna; Dołega, Anna","Variable-temperature X-ray diffraction study of structural parameters of NH—S hydrogen bonds in triethylammonium and pyridinium silanethiolates","Acta Crystallographica Section B","2016","72","5","763","770","10.1107/S2052520616011562","","","0.71073","MoKα","","0.1095","0.051","","","0.1125","0.1414","","","","","","1.008","","","","has coordinates,has Fobs","186843","2020-10-21","18:00:00",""
"2107991","13.5393","0.0017","16.4475","0.0016","19.021","0.002","90","","107.159","0.009","90","","4047.2","0.8","270","2","270","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C41 H57 N O3 S Si -","- C41 H57 N O3 S Si -","- C164 H228 N4 O12 S4 Si4 -","4","1","EB5051","Mielcarek, Agnieszka; Daszkiewicz, Marek; Kazimierczuk, Katarzyna; Ciborska, Anna; Dołega, Anna","Variable-temperature X-ray diffraction study of structural parameters of NH—S hydrogen bonds in triethylammonium and pyridinium silanethiolates","Acta Crystallographica Section B","2016","72","5","763","770","10.1107/S2052520616011562","","","0.71073","MoKα","","0.128","0.0493","","","0.1052","0.1377","","","","","","0.914","","","","has coordinates,has Fobs","186843","2020-10-21","18:00:00",""
"2107992","17.8252","0.0007","7.2708","0.0002","20.6396","0.0007","90","","90","","90","","2674.96","0.16","100.03","0.1","100.03","0.1","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C13 H19 Cl N2 O2 -","- C13 H19 Cl N2 O2 -","- C104 H152 Cl8 N16 O16 -","8","1","UM5004","Jacobs, Jeroen; Moris, Michele; De Samber, Tim; Vrijdag, Johannes; De Borggraeve, Wim; Van Meervelt, Luc","The orthorhombic pseudopolymorph of tacrine hydrochloride","Acta Crystallographica Section B","2016","72","5","771","774","10.1107/S2052520616011094","","","0.71073","MoKα","","0.0521","0.0423","","","0.1018","0.1067","","","","","","1.075","","","","has coordinates,has disorder","186844","2020-10-21","18:00:00",""
"2107993","15.5326","0.0002","15.5326","0.0002","11.804","0.0002","90","","90","","90","","2847.85","0.07","293","","293","","","","","","","","","8","P 4/n n c :2","-P 4a 2bc","126","","","","- Al7.62 Ca18.1 Fe2.55 Mg0.63 Na0.9 O78 Si18 Ti2.2 -","- Al7.616 Ca18.104 Fe2.576 Mg0.616 Na0.896 O78 Si18 Ti2.192 -","- Al15.232 Ca36.208 Fe5.152 Mg1.232 Na1.792 O156 Si36 Ti4.384 -","2","0.125","BP5089","Aksenov, Sergey M.; Chukanov, Nikita V.; Rusakov, Vyacheslav S.; Panikorovskii, Taras L.; Rastsvetaeva, Ramiza K.; Gainov, Ramil R.; Vagizov, Farit G.; Lyssenko, Konstantin A.; Belakovskiy, Dmitry I.","Towards a revisitation of vesuvianite-group nomenclature: the crystal structure of Ti-rich vesuvianite from Alchuri, Shigar Valley, Pakistan","Acta Crystallographica Section B","2016","72","5","744","752","10.1107/S2052520616010246","","","0.71069","MoKα","","0.0356","0.0312","","","0.0534","0.0565","","","","","","1.02","","","","has coordinates,has Fobs","186845","2020-10-21","18:00:00",""
"2107996","7.6021","0.0015","8.4538","0.0017","15.375","0.003","88.99","0.03","84.05","0.03","64.75","0.03","888.5","0.4","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","2-(2,3-dimethylphenyl)aminobenzoic acid 2-methylpyridine solvate form I","","- C21 H22 N2 O2 -","- C21 H22 N2 O2 -","- C42 H44 N4 O4 -","2","1","LO5010","Bouanga Boudiombo, Jacky S.; Jacobs, Ayesha","Solvates of selected fenamic acids with substituted pyridines: structure, thermal stability and desolvation","Acta Crystallographica Section B","2016","72","6","836","845","10.1107/S2052520616014128","","","0.71073","MoKα","","0.0523","0.0434","","","0.1154","0.1228","","","","","","1.049","","","","has coordinates","188930","2020-10-21","18:00:00",""
"2107997","7.7857","0.0016","8.1859","0.0016","27.953","0.006","90","","96.87","0.03","90","","1768.7","0.6","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","2-(2,3-dimethylphenyl)aminobenzoic acid 2methylpyridine solvate form II","","- C21 H22 N2 O2 -","- C21 H22 N2 O2 -","- C84 H88 N8 O8 -","4","1","","Bouanga Boudiombo, Jacky S.; Jacobs, Ayesha","Solvates of selected fenamic acids with substituted pyridines: structure, thermal stability and desolvation","Acta Crystallographica Section B","2016","72","6","836","845","10.1107/S2052520616014128","","","0.71073","MoKα","","0.0642","0.0446","","","0.1166","0.1306","","","","","","1.044","","","","has coordinates","188930","2020-10-21","18:00:00",""
"2107998","7.6738","0.0006","7.7598","0.0006","16.2725","0.0012","78.957","0.001","83.673","0.002","65.094","0.001","862.12","0.11","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","2-(2,3-dimethylphenyl)aminobenzoic acid 3-methylpyridine solvate","","- C21 H22 N2 O2 -","- C21 H22 N2 O2 -","- C42 H44 N4 O4 -","2","1","","Bouanga Boudiombo, Jacky S.; Jacobs, Ayesha","Solvates of selected fenamic acids with substituted pyridines: structure, thermal stability and desolvation","Acta Crystallographica Section B","2016","72","6","836","845","10.1107/S2052520616014128","","","0.71073","MoKα","","0.0483","0.0406","","","0.1105","0.1172","","","","","","1.049","","","","has coordinates,has Fobs","188930","2020-10-21","18:00:00",""
"2107999","7.6718","0.0015","7.7441","0.0015","16.056","0.003","80.06","0.03","84.88","0.03","65.5","0.03","854.8","0.4","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","2-(2,3-dimethylphenyl)aminobenzoic acid 3-chloropyridine solvate","","- C20 H19 Cl N2 O2 -","- C20 H19 Cl N2 O2 -","- C40 H38 Cl2 N4 O4 -","2","1","","Bouanga Boudiombo, Jacky S.; Jacobs, Ayesha","Solvates of selected fenamic acids with substituted pyridines: structure, thermal stability and desolvation","Acta Crystallographica Section B","2016","72","6","836","845","10.1107/S2052520616014128","","","0.71073","MoKα","","0.0542","0.04","","","0.1125","0.1218","","","","","","1.046","","","","has coordinates,has Fobs","188930","2020-10-21","18:00:00",""
"2108000","7.5271","0.0015","7.5702","0.0015","15.664","0.003","88.11","0.03","78.41","0.03","89.2","0.03","873.9","0.3","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","2-(2,3-dimethylphenyl)aminobenzoic acid 4-methylpyridine solvate","","- C21 H22 N2 O2 -","- C21 H22 N2 O2 -","- C42 H44 N4 O4 -","2","1","","Bouanga Boudiombo, Jacky S.; Jacobs, Ayesha","Solvates of selected fenamic acids with substituted pyridines: structure, thermal stability and desolvation","Acta Crystallographica Section B","2016","72","6","836","845","10.1107/S2052520616014128","","","0.71073","MoKα","","0.0627","0.046","","","0.1246","0.1351","","","","","","1.065","","","","has coordinates,has Fobs","188930","2020-10-21","18:00:00",""
"2108001","7.7585","0.0016","8.0699","0.0016","28.056","0.006","90","","97.29","0.03","90","","1742.4","0.6","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","2-[(3-chloro-2-methylphenyl)amino]benzoic acid) 2-methylpyridine solvate","","- C20 H19 Cl N2 O2 -","- C20 H19 Cl N2 O2 -","- C80 H76 Cl4 N8 O8 -","4","1","","Bouanga Boudiombo, Jacky S.; Jacobs, Ayesha","Solvates of selected fenamic acids with substituted pyridines: structure, thermal stability and desolvation","Acta Crystallographica Section B","2016","72","6","836","845","10.1107/S2052520616014128","","","0.71073","MoKα","","0.051","0.0386","","","0.0973","0.1054","","","","","","1.024","","","","has coordinates,has Fobs","188930","2020-10-21","18:00:00",""
"2108002","7.8069","0.0016","13.987","0.003","32.185","0.006","90","","90","","90","","3514.4","1.2","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","2-[(3-chloro-2-methylphenyl)amino]benzoic acid) 3-methylpyridine solvate","","- C20 H19 Cl N2 O2 -","- C20 H19 Cl N2 O2 -","- C160 H152 Cl8 N16 O16 -","8","1","","Bouanga Boudiombo, Jacky S.; Jacobs, Ayesha","Solvates of selected fenamic acids with substituted pyridines: structure, thermal stability and desolvation","Acta Crystallographica Section B","2016","72","6","836","845","10.1107/S2052520616014128","","","0.71073","MoKα","","0.061","0.0397","","","0.0934","0.1077","","","","","","1.032","","","","has coordinates,has Fobs","188930","2020-10-21","18:00:00",""
"2108003","9.3862","0.0002","10.7268","0.0002","13.3463","0.0003","70.106","0.001","75.783","0.002","84.529","0.001","1224.77","0.05","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C24 H17 Cu F6 N3 O4 -","- C24 H17 Cu F6 N3 O4 -","- C48 H34 Cu2 F12 N6 O8 -","2","1","EB5048","Perdih, Franc","Cu^II^ and Zn^II^ β-diketonate coordination polymers based on pyrimidin-2-amine, pyrazine and 1,2-bis(4-pyridyl)ethane","Acta Crystallographica Section B","2016","72","6","828","835","10.1107/S2052520616014566","","","0.71073","MoKα","","0.0555","0.0456","","","0.126","0.1368","","","","","","1.043","","","","has coordinates,has Fobs","188931","2020-10-21","18:00:00",""
"2108004","11.5334","0.0004","9.2949","0.0002","13.0287","0.0005","90","","115.198","0.005","90","","1263.79","0.09","293","2","293","2","","","","","","","","6","P 1 2/n 1","-P 2yac","13","","","","- C24 H17 F6 N3 O4 Zn -","- C24 H17 F6 N3 O4 Zn -","- C48 H34 F12 N6 O8 Zn2 -","2","0.5","EB5048","Perdih, Franc","Cu^II^ and Zn^II^ β-diketonate coordination polymers based on pyrimidin-2-amine, pyrazine and 1,2-bis(4-pyridyl)ethane","Acta Crystallographica Section B","2016","72","6","828","835","10.1107/S2052520616014566","","","0.71073","MoKα","","0.0479","0.0344","","","0.0812","0.0893","","","","","","1.055","","","","has coordinates,has disorder,has Fobs","188931","2020-10-21","18:00:00",""
"2108005","16.698","0.0004","7.5724","0.0002","11.9436","0.0003","90","","121.097","0.002","90","","1293.17","0.06","293","2","293","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- C24 H16 Cu F6 N2 O4 -","- C24 H16 Cu F6 N2 O4 -","- C48 H32 Cu2 F12 N4 O8 -","2","0.25","EB5048","Perdih, Franc","Cu^II^ and Zn^II^ β-diketonate coordination polymers based on pyrimidin-2-amine, pyrazine and 1,2-bis(4-pyridyl)ethane","Acta Crystallographica Section B","2016","72","6","828","835","10.1107/S2052520616014566","","","0.71073","MoKα","","0.0451","0.0439","","","0.127","0.1285","","","","","","1.07","","","","has coordinates,has disorder,has Fobs","188931","2020-10-21","18:00:00",""
"2108006","16.8348","0.0015","7.2272","0.0004","12.2602","0.0008","90","","121.311","0.005","90","","1274.43","0.17","293","2","293","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- C24 H16 F6 N2 O4 Zn -","- C24 H16 F6 N2 O4 Zn -","- C48 H32 F12 N4 O8 Zn2 -","2","0.25","EB5048","Perdih, Franc","Cu^II^ and Zn^II^ β-diketonate coordination polymers based on pyrimidin-2-amine, pyrazine and 1,2-bis(4-pyridyl)ethane","Acta Crystallographica Section B","2016","72","6","828","835","10.1107/S2052520616014566","","","1.54184","CuKα","","0.05","0.0445","","","0.114","0.1184","","","","","","1.048","","","","has coordinates,has disorder,has Fobs","188931","2020-10-21","18:00:00",""
"2108007","7.211","0.0005","8.9713","0.0007","10.9554","0.0009","92.223","0.007","106.931","0.007","113.347","0.007","612.83","0.1","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C24 H16 F6 N2 O4 Zn -","- C24 H16 F6 N2 O4 Zn -","- C24 H16 F6 N2 O4 Zn -","1","0.5","EB5048","Perdih, Franc","Cu^II^ and Zn^II^ β-diketonate coordination polymers based on pyrimidin-2-amine, pyrazine and 1,2-bis(4-pyridyl)ethane","Acta Crystallographica Section B","2016","72","6","828","835","10.1107/S2052520616014566","","","1.54184","CuKα","","0.0546","0.05","","","0.1297","0.1376","","","","","","1.082","","","","has coordinates,has Fobs","188931","2020-10-21","18:00:00",""
"2108008","8.646","0.0004","9.6246","0.0004","9.6615","0.0005","65.711","0.005","78.619","0.004","88.191","0.004","717.29","0.07","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C32 H22 Cu F6 N2 O4 -","- C32 H22 Cu F6 N2 O4 -","- C32 H22 Cu F6 N2 O4 -","1","0.5","EB5048","Perdih, Franc","Cu^II^ and Zn^II^ β-diketonate coordination polymers based on pyrimidin-2-amine, pyrazine and 1,2-bis(4-pyridyl)ethane","Acta Crystallographica Section B","2016","72","6","828","835","10.1107/S2052520616014566","","","0.71073","MoKα","","0.0622","0.0457","","","0.1031","0.1132","","","","","","1.032","","","","has coordinates,has Fobs","188931","2020-10-21","18:00:00",""
"2108010","8.1661","0.0003","12.8545","0.0002","14.235","0.0004","93.5777","0.0008","116.309","0.0007","89.593","0.003","1336.52","0.07","100","","100","","","","","","","","Chengde, Hebei, China","5","?","?","","andesine","","","- Al1.44 Ca0.49 Na0.51 O8 Si2.56 -","- Al1.44 Ca0.49 Na0.51 O8 Si2.56 -","- Al11.52 Ca3.92 Na4.08 O64 Si20.48 -","8","","DK5048","Xu, Huifang; Jin, Shiyun; Noll, Bruce C.","Incommensurate density modulation in a Na-rich plagioclase feldspar: <i>Z</i>-contrast imaging and single-crystal X-ray diffraction study","Acta Crystallographica Section B","2016","72","6","904","915","10.1107/S205252061601578X","","x-ray","0.71073","MoKα","","0.037","0.029","","","0.1071","0.1107","","","","2.05","2.05","1.84","","","","has coordinates","188818","2020-10-21","18:00:00",""
"2108011","9.606","0.003","5.324","0.007","14.666","0.002","90","","94.06","0.03","90","","748.2","1","300","","300","","","","","","","","","4","P 1 21 1","P 2yb","4","l-leucine at 300 K","2-amino-4-methylpentanoic acid","","- C6 H13 N O2 -","- C6 H13 N O2 -","- C24 H52 N4 O8 -","4","2","FX5005","Binns, Jack; Parsons, Simon; McIntyre, Garry J.","Accurate hydrogen parameters for the amino acid <small>L</small>-leucine","Acta Crystallographica Section B","2016","72","6","885","892","10.1107/S2052520616015699","","","0.8","neutron","","0.0818","0.0582","","","0.1203","0.1341","","","","","","1.102","","","","has coordinates,has Fobs","188819","2020-10-21","18:00:00",""
"2108012","9.562","0.002","5.301","0.001","14.519","0.003","90","","94.2","0.02","90","","734","0.3","120","","120","","","","","","","","","4","P 1 21 1","P 2yb","4","l-leucine at 120 K","2-amino-4-methylpentanoic acid","","- C6 H13 N O2 -","- C6 H13 N O2 -","- C24 H52 N4 O8 -","4","2","","Binns, Jack; Parsons, Simon; McIntyre, Garry J.","Accurate hydrogen parameters for the amino acid <small>L</small>-leucine","Acta Crystallographica Section B","2016","72","6","885","892","10.1107/S2052520616015699","","","0.8","neutron","","0.1183","0.079","","","0.1525","0.1713","","","","","","1.141","","","","has coordinates,has Fobs","188819","2020-10-21","18:00:00",""
"2108013","14.2651","0.0005","4.5853","0.0002","14.2789","0.0005","90","","117.999","0.002","90","","824.66","0.06","150","","150","","","","","","","","","4","P 1 n 1","P -2yac","7","","rubidium hydrogen sulfate","","- H O4 Rb S -","- H O4 Rb S -","- H8 O32 Rb8 S8 -","8","4","FX5004","Binns, Jack; McIntyre, Garry J.; Parsons, Simon","Neutron and high-pressure X-ray diffraction study of hydrogen-bonded ferroelectric rubidium hydrogen sulfate","Acta Crystallographica Section B","2016","72","6","855","863","10.1107/S2052520616013494","","","0.85","neutron","","0.0626","0.0482","","0.1313","0.1121","0.1121","","","","","","0.9617","","","","has coordinates,has Fobs","188820","2020-10-21","18:00:00",""
"2108014","14.3602","0.0019","4.6156","0.0006","14.413","0.002","90","","118.069","0.008","90","","842.9","0.2","293","","293","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","rubidium hydrogensulfate","","- H O4 Rb S -","- H O4 Rb S -","- H8 O32 Rb8 S8 -","8","2","","Binns, Jack; McIntyre, Garry J.; Parsons, Simon","Neutron and high-pressure X-ray diffraction study of hydrogen-bonded ferroelectric rubidium hydrogen sulfate","Acta Crystallographica Section B","2016","72","6","855","863","10.1107/S2052520616013494","","","0.85","neutron","","0.0886","0.0552","","0.1444","0.1062","0.1062","","","","","","0.9998","","","","has coordinates,has Fobs","188820","2020-10-21","18:00:00",""
"2108015","14.3602","0.0019","4.6156","0.0006","14.413","0.002","90","","118.069","0.008","90","","842.9","0.2","300","","300","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","rubidium hydrogen sulfate","","- H O4 Rb S -","- H O4 Rb S -","- H8 O32 Rb8 S8 -","8","2","","Binns, Jack; McIntyre, Garry J.; Parsons, Simon","Neutron and high-pressure X-ray diffraction study of hydrogen-bonded ferroelectric rubidium hydrogen sulfate","Acta Crystallographica Section B","2016","72","6","855","863","10.1107/S2052520616013494","","","0.85","neutron","","0.0837","0.0508","","0.1318","0.0957","0.0957","","","","","","0.9097","","","","has coordinates","188820","2020-10-21","18:00:00",""
"2108016","14.3602","0.0019","4.6156","0.0006","14.413","0.002","90","","118.069","0.008","90","","842.9","0.2","298","","298","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Rubidium hydrogensulfate","","- H O4 Rb S -","- H O4 Rb S -","- H8 O32 Rb8 S8 -","8","2","","Binns, Jack; McIntyre, Garry J.; Parsons, Simon","Neutron and high-pressure X-ray diffraction study of hydrogen-bonded ferroelectric rubidium hydrogen sulfate","Acta Crystallographica Section B","2016","72","6","855","863","10.1107/S2052520616013494","","","0.71073","MoKα","","0.038","0.0274","","0.057","0.0532","0.057","","","","","","1","","","","has coordinates,has Fobs","188820","2020-10-21","18:00:00",""
"2108017","14.324","0.003","4.6263","0.0009","14.401","0.007","90","","117.74","0.03","90","","844.6","0.5","293","","293","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Rubidium hydrogensulfate","","- H O4 Rb S -","- H O4 Rb S -","- H8 O32 Rb8 S8 -","8","2","","Binns, Jack; McIntyre, Garry J.; Parsons, Simon","Neutron and high-pressure X-ray diffraction study of hydrogen-bonded ferroelectric rubidium hydrogen sulfate","Acta Crystallographica Section B","2016","72","6","855","863","10.1107/S2052520616013494","","","0.71073","MoKα","","0.0403","0.0234","","0.0749","0.055","0.055","","","","","","1.0174","","","","has coordinates,has Fobs","188820","2020-10-21","18:00:00",""
"2108018","14.166","0.005","4.5982","0.0009","14.326","0.004","90","","117.68","0.03","90","","826.4","0.5","293","","293","","","","","","","","","4","P 1 n 1","P -2yac","7","","rubidium hydrogen sulfate","","- H O4 Rb S -","- H O4 Rb S -","- H8 O32 Rb8 S8 -","8","4","","Binns, Jack; McIntyre, Garry J.; Parsons, Simon","Neutron and high-pressure X-ray diffraction study of hydrogen-bonded ferroelectric rubidium hydrogen sulfate","Acta Crystallographica Section B","2016","72","6","855","863","10.1107/S2052520616013494","","","0.71073","MoKα","","0.0484","0.0437","","0.1823","0.1162","0.1162","","","","","","0.8328","","","","has coordinates,has Fobs","188820","2020-10-21","18:00:00",""
"2108019","7.3202","0.0007","7.765","0.002","7.3247","0.0008","90","","110.938","0.007","90","","388.85","0.12","293","","293","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","rubidium hydrogensulfate","","- H O4 Rb S -","- H O4 Rb S -","- H4 O16 Rb4 S4 -","4","1","","Binns, Jack; McIntyre, Garry J.; Parsons, Simon","Neutron and high-pressure X-ray diffraction study of hydrogen-bonded ferroelectric rubidium hydrogen sulfate","Acta Crystallographica Section B","2016","72","6","855","863","10.1107/S2052520616013494","","","0.71073","MoKα","","0.0447","0.032","","0.2266","0.0727","0.0727","","","","","","0.9804","","","","has coordinates,has Fobs","188820","2020-10-21","18:00:00",""
"2108020","14.3405","0.0007","4.615","0.0002","14.3723","0.0012","90","","118.054","0.004","90","","839.42","0.09","293","","293","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Rubidium hydrogensulfate","","- H O4 Rb S -","- H O4 Rb S -","- H8 O32 Rb8 S8 -","8","2","","Binns, Jack; McIntyre, Garry J.; Parsons, Simon","Neutron and high-pressure X-ray diffraction study of hydrogen-bonded ferroelectric rubidium hydrogen sulfate","Acta Crystallographica Section B","2016","72","6","855","863","10.1107/S2052520616013494","","","0.71073","MoKα","","0.0622","0.0557","","0.1569","0.148","0.1569","","","","","","0.9896","","","","has coordinates,has Fobs","188820","2020-10-21","18:00:00",""
"2108021","14.334","0.005","4.6197","0.0017","14.361","0.009","90","","118.94","0.03","90","","832.2","0.7","293","","293","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","rubidium hydrogensulfate","","- H O4 Rb S -","- H O4 Rb S -","- H8 O32 Rb8 S8 -","8","2","","Binns, Jack; McIntyre, Garry J.; Parsons, Simon","Neutron and high-pressure X-ray diffraction study of hydrogen-bonded ferroelectric rubidium hydrogen sulfate","Acta Crystallographica Section B","2016","72","6","855","863","10.1107/S2052520616013494","","","0.71073","MoKα","","0.0996","0.0689","","0.1809","0.139","0.139","","","","","","1.0386","","","","has coordinates,has Fobs","188820","2020-10-21","18:00:00",""
"2108022","15.9356","0.0004","7.48389","0.00015","17.139","0.0004","90","","112.052","0.003","90","","1894.47","0.09","295","2","295","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C7 H9 N3 O5 -","- C7 H9 N3 O5 -","- C56 H72 N24 O40 -","8","2","EB5052","Daszkiewicz, Marek; Mielcarek, Agnieszka","Comparison of hydrogen bonds and diverse weak interactions of the nitro group in 2-methyl-4-nitroanilinium nitrate, bisulfate and two hexafluoridosilicates: elementary graph-set approach","Acta Crystallographica Section B","2016","72","6","916","926","10.1107/S2052520616016139","","","0.71073","MoKα","","0.0466","0.0382","","","0.0991","0.1052","","","","","","1.046","","","","has coordinates,has Fobs","188821","2020-10-21","18:00:00",""
"2108023","15.9394","0.0004","5.01801","0.00011","12.931","0.0003","90","","101.367","0.002","90","","1013.99","0.04","295","2","295","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C7 H10 N2 O6 S -","- C7 H10 N2 O6 S -","- C28 H40 N8 O24 S4 -","4","1","","Daszkiewicz, Marek; Mielcarek, Agnieszka","Comparison of hydrogen bonds and diverse weak interactions of the nitro group in 2-methyl-4-nitroanilinium nitrate, bisulfate and two hexafluoridosilicates: elementary graph-set approach","Acta Crystallographica Section B","2016","72","6","916","926","10.1107/S2052520616016139","","","0.71073","MoKα","","0.0322","0.0282","","","0.075","0.077","","","","","","1.084","","","","has coordinates,has Fobs","188821","2020-10-21","18:00:00",""
"2108024","6.1643","0.0003","10.2128","0.0004","29.824","0.0016","90","","92.439","0.004","90","","1875.86","0.15","295","2","295","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C14 H18 F6 N4 O4 Si -","- C14 H18 F6 N4 O4 Si -","- C56 H72 F24 N16 O16 Si4 -","4","1","","Daszkiewicz, Marek; Mielcarek, Agnieszka","Comparison of hydrogen bonds and diverse weak interactions of the nitro group in 2-methyl-4-nitroanilinium nitrate, bisulfate and two hexafluoridosilicates: elementary graph-set approach","Acta Crystallographica Section B","2016","72","6","916","926","10.1107/S2052520616016139","","","0.71073","MoKα","","0.0677","0.0437","","","0.1109","0.1267","","","","","","1.026","","","","has coordinates,has Fobs","188821","2020-10-21","18:00:00",""
"2108025","15.0445","0.0008","8.8682","0.0004","8.1133","0.0004","90","","104.638","0.005","90","","1047.32","0.09","295","2","295","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C14 H22 F6 N4 O6 Si -","- C14 H22 F6 N4 O6 Si -","- C28 H44 F12 N8 O12 Si2 -","2","0.5","","Daszkiewicz, Marek; Mielcarek, Agnieszka","Comparison of hydrogen bonds and diverse weak interactions of the nitro group in 2-methyl-4-nitroanilinium nitrate, bisulfate and two hexafluoridosilicates: elementary graph-set approach","Acta Crystallographica Section B","2016","72","6","916","926","10.1107/S2052520616016139","","","0.71073","MoKα","","0.0764","0.0471","","","0.1003","0.1128","","","","","","1.088","","","","has coordinates,has Fobs","219800","2020-10-21","18:00:00",""
"2108026","11.947","0.002","6.696","0.001","12.598","0.003","90","","108.6","0.03","90","","955.2","0.4","150","2","150","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","tricyano-1,4-dithiino[c]-isothiazole","tricyano-1,4-dithiino[c]-isothiazole","","- C8 N4 S3 -","- C8 N4 S3 -","- C32 N16 S12 -","4","1","","Curtis, Farren; Wang, Xiaopeng; Marom, Noa","Effect of packing motifs on the energy ranking and electronic properties of putative crystal structures of tricyano-1,4-dithiino[<i>c</i>]-isothiazole","Acta Crystallographica Section B","2016","72","4","562","570","10.1107/S2052520616009227","","","0.71073","MoKα","","0.0997","0.0474","","","0.0875","0.1049","","","","","","0.959","","","","has coordinates","190750","2020-10-21","18:00:00",""
"2108351","7.40203","0.00019","12.96634","0.00034","7.28776","0.00017","90","","90.6602","0.0024","90","","699.41","0.03","293.2","","293.2","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C4 H12 Al N -","- C4 H12 Al N -","- C16 H48 Al4 N4 -","4","1","RA5011","Bernert, Thomas; Ley, Morten Brix; Ruiz-Fuertes, Javier; Fischer, Michael; Felderhoff, Michael; Weidenthaler, Claudia","Title (type here to add)","Acta Crystallographica, Section B","2016","72","02","232","240","10.1107/S2052520616000093","powder diffraction","x-ray","0.7093","MoKα~1~","","","","","","","","0.28094","","1.17","","","","","","","has coordinates","213158","2020-10-21","18:00:00",""
"2108352","9.502","0","9.502","0","6.8356","0.0048","90","","90","","120","","534.5","0.4","","","295","","","","","","","","","5","P 63/m","-P 6c","176","","Chlorapatite","","- Ca5 Cl0.9 F0.1 O12 P3 -","- Ca5 Cl0.88 F0.12 O12 P3 -","- Ca10 Cl1.76 F0.24 O24 P6 -","2","0.166667","BM5088","Christoph, Staehli; Thuering, Juerg; Galea, Laetitia; Tadier, Solene; Bohner, Marc; Doebelin, Nicola","Hydrogen-substituted beta-tricalcium phosphate synthesized in organic media","Acta Crystallographica, Section B","2016","72","06","875","884","10.1107/S2052520616015675","powder diffraction","x-ray","1.5406","","","","","","","","","","","1.0638","","","","","","","has coordinates,has Fobs","213161","2020-10-21","18:00:00",""
"2108439","22.5199","0.0006","2.83987","0.00006","14.8815","0.0004","90","","105.092","0.0016","90","","918.9","0.04","293","","293","","","","","","","","","3","C 1 2/m 1","-C 2y","12","","sodium manganese oxide","","- Mn13 Na3.98 O26 -","- Mn13 Na3.984 O26 -","- Mn26 Na7.968 O52 -","2","0.25","DK5050","Mugnaioli, Enrico; Gemmi, Mauro; Merlini, Marco; Gregorkiewitz, Miguel","(Na,Ω)5[MnO2]13 does not have the romanèchite framework: a new tunnel structure determined and refined by EDT and synchrotron powder diffraction.","Acta Crystallographica, Section B","2016","72","06","893","903","10.1107/S2052520616015651","powder diffraction","x-ray","0.415352","synchrotron","","","","","","","","0.035","","0.83","","","","","","","has coordinates","216842","2020-10-21","18:00:00",""
"2108440","22.6338","","2.8255","","14.9075","","90","","104.599","","90","","922.58","","293","","293","","","","","","","","","3","C 1 2/m 1","-C 2y","12","","","","- Mn13 Na3.94 O26 -","- Mn13 Na3.936 O26 -","- Mn26 Na7.872 O52 -","2","0.25","DK5050","Mugnaioli, Enrico; Gemmi, Mauro; Merlini, Marco; Gregorkiewitz, Miguel","(Na,Ω)5[MnO2]13 does not have the romanèchite framework: a new tunnel structure determined and refined by EDT and synchrotron powder diffraction.","Acta Crystallographica, Section B","2016","72","06","893","903","10.1107/S2052520616015651","","electron","0.0335","electron","","0.2389","0.0665","","","0.0722","0.086","","","","2.1","2.1","1.49","","","","has coordinates","216842","2020-10-21","18:00:00",""
"2241378","18.0213","0.0005","19.4619","0.0006","13.8664","0.0004","90","","102.205","0.001","90","","4753.4","0.2","110","2","110","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","Aquabis(heptafluorobutanoato-κ<i>O</i>)(1,10'-phenanthroline-κ^2^<i>N</i>,<i>N</i>')copper(II)","","- C20 H10 Cu F14 N2 O5 -","- C20 H10 Cu F14 N2 O5 -","- C160 H80 Cu8 F112 N16 O40 -","8","1","PJ2026","Kani, Ibrahim","Crystal structure of aquabis(heptafluorobutanoato-κ<i>O</i>)(1,10'-phenanthroline-κ^2^<i>N</i>,<i>N</i>')copper(II)","Acta Crystallographica Section E","2016","72","1","4","7","10.1107/S2056989015022720","","","0.71073","MoKα","","0.0759","0.0558","","","0.1405","0.1562","","","","","","0.947","","","","has coordinates,has disorder,has Fobs","176645","2020-10-21","18:00:00",""
"2241379","14.7129","0.0011","18.9613","0.0013","11.3031","0.0006","90","","111.632","0.007","90","","2931.2","0.4","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","Ethyl 6-(4-methylphenyl)-4-oxo-4<i>H</i>-chromene-2-carboxylate","","- C19 H16 O4 -","- C19 H16 O4 -","- C152 H128 O32 -","8","2","","Gomes, Ligia R.; Low, John Nicolson; Fernandes, Carlos; Gaspar, Alexandra; Borges, Fernanda","Crystal structures of ethyl 6-(4-methylphenyl)-4-oxo-4<i>H</i>-chromene-2-carboxylate and ethyl 6-(4-fluorophenyl)-4-oxo-4<i>H</i>-chromene-2-carboxylate","Acta Crystallographica Section E","2016","72","1","8","13","10.1107/S2056989015022781","","","0.71075","MoKα","","0.0505","0.0384","","","0.0983","0.1035","","","","","","1.111","","","","has coordinates,has Fobs","176632","2020-10-21","18:00:00",""
"2241380","3.8521","0.0002","20.697","0.0015","17.5478","0.0011","90","","91.546","0.001","90","","1398.52","0.15","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Ethyl 6-(4-fluorophenyl)-4-oxo-4<i>H</i>-chromene-2-carboxylate","","- C18 H13 F O4 -","- C18 H13 F O4 -","- C72 H52 F4 O16 -","4","1","","Gomes, Ligia R.; Low, John Nicolson; Fernandes, Carlos; Gaspar, Alexandra; Borges, Fernanda","Crystal structures of ethyl 6-(4-methylphenyl)-4-oxo-4<i>H</i>-chromene-2-carboxylate and ethyl 6-(4-fluorophenyl)-4-oxo-4<i>H</i>-chromene-2-carboxylate","Acta Crystallographica Section E","2016","72","1","8","13","10.1107/S2056989015022781","","","0.71075","MoKα","","0.0381","0.0309","","","0.0818","0.0866","","","","","","0.977","","","","has coordinates,has Fobs","176632","2020-10-21","18:00:00",""
"2241381","11.325","0.004","15.101","0.006","18.273","0.007","90","","100.61","0.03","90","","3072","2","133","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","μ-Fluorido-bis{(η^4^-cyclooctadiene)[hexafluoridoantimonato(V)-κ<i>F</i>]platinum(II)} hexafluoridoantimonate(V) hydrogen fluoride 0.75-solvate","","- C16 H24.75 F19.75 Pt2 Sb3 -","- C16 H24 F19.75 Pt2 Sb3 -","- C64 H96 F79 Pt8 Sb12 -","4","1","WM5233","Seppelt, Konrad; Friedemann, Roland","Crystal structure of μ-fluorido-bis{(η^4^-cyclooctadiene)[hexafluoridoantimonato(V)]platinum(II)} hexafluoridoantimonate(V) hydrogen fluoride 0.75-solvate","Acta Crystallographica Section E","2016","72","1","14","16","10.1107/S2056989015022835","","","0.71073","MoKα","","0.0508","0.0377","","","0.0703","0.0738","","","","","","1.104","","","","has coordinates,has Fobs","176636","2020-10-21","18:00:00",""
"2241382","23.5604","0.0004","7.0367","0.0003","9.5792","0.0004","90","","90","","90","","1588.11","0.1","100","2","100","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","(2,2'-Bipyridine-κ^2^<i>N</i>,<i>N</i>')triiodidomethyltin(IV)","","- C11 H11 I3 N2 Sn -","- C11 H11 I3 N2 Sn -","- C44 H44 I12 N8 Sn4 -","4","1","","Reuter, Hans; Reichelt, Martin","Crystal structure of the coordination compound of triiodidomethyltin(IV) with 2,2'-bipyridine, MeSnI~3~·bipy","Acta Crystallographica Section E","2016","72","1","17","20","10.1107/S2056989015022975","","","0.71073","MoKα","","0.016","0.0157","","","0.0373","0.0374","","","","","","1.207","","","","has coordinates,has Fobs","176646","2020-10-21","18:00:00",""
"2241419","10.997","0.002","7.7489","0.0009","27.852","0.004","90","","90","","90","","2373.4","0.6","120","2","120","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","(±)-(3a<i>R</i>,4<i>S</i>,5<i>S</i>,6a<i>S</i>)-4-Methyl-5-phenylhexahydro-1<i>H</i>-cyclopenta[<i>c</i>]furan-4,5-diol","","- C14 H18 O3 -","- C14 H18 O3 -","- C112 H144 O24 -","8","1","GK2648","Jones, Alan M.; Storey, John M. D.; Harrison, William T. A.","Investigations into the construction of the pentasubstituted ring <i>C</i> of Neosurugatoxin ‒ a crystallographic study","Acta Crystallographica Section E","2016","72","1","44","48","10.1107/S2056989015023506","","","0.71073","MoKα","","0.1808","0.0945","","","0.126","0.1482","","","","","","1.091","","","","has coordinates,has Fobs","176630","2020-10-21","18:00:00",""
"2241420","12.8872","0.0003","19.3544","0.0006","6.8046","0.0001","90","","92.3907","0.0016","90","","1695.75","0.07","120","2","120","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","(±)-(3a<i>R</i>,4<i>S</i>,5<i>S</i>,6a<i>S</i>)-4-Benzyloxy-4-methyl-5-phenylhexahydro-1<i>H</i>-cyclopenta[<i>c</i>]furan-5-ol","","- C21 H24 O3 -","- C21 H24 O3 -","- C84 H96 O12 -","4","1","GK2648","Jones, Alan M.; Storey, John M. D.; Harrison, William T. A.","Investigations into the construction of the pentasubstituted ring <i>C</i> of Neosurugatoxin ‒ a crystallographic study","Acta Crystallographica Section E","2016","72","1","44","48","10.1107/S2056989015023506","","","0.71073","MoKα","","0.0801","0.0526","","","0.1197","0.1322","","","","","","1.056","","","","has coordinates,has Fobs","176630","2020-10-21","18:00:00",""
"2241421","5.6392","0.0002","11.0427","0.0005","26.6311","0.0013","90","","90","","90","","1658.37","0.13","120","2","120","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","(±)-(1a<i>R</i>,1b<i>S</i>,4a<i>R</i>,5<i>S</i>,5a<i>R</i>)-5-Benzyloxy-5-methyl-5a-phenylhexahydro-2<i>H</i>-oxireno[2',3':3,4]cyclopenta[1,2-<i>c</i>]furan","","- C21 H22 O3 -","- C21 H22 O3 -","- C84 H88 O12 -","4","1","GK2648","Jones, Alan M.; Storey, John M. D.; Harrison, William T. A.","Investigations into the construction of the pentasubstituted ring <i>C</i> of Neosurugatoxin ‒ a crystallographic study","Acta Crystallographica Section E","2016","72","1","44","48","10.1107/S2056989015023506","","","0.71073","MoKα","","0.1399","0.1232","","","0.2713","0.2793","","","","","","1.174","","","","has coordinates,has disorder,has Fobs","176630","2020-10-21","18:00:00",""
"2241422","14.8766","0.0013","29.903","0.003","7.3102","0.0006","90","","90","","90","","3252","0.5","120","2","120","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","Bis(diethylammonium) tetrachloridocuprate","","- C8 H24 Cl4 Cu N2 -","- C8 H24 Cl4 Cu N2 -","- C64 H192 Cl32 Cu8 N16 -","8","2","PK2565","Aldrich, Emily P.; Bussey, Katherine A.; Connell, Jennifer R.; Reinhart, Erin F.; Oshin, Kayode D.; Mercado, Brandon Q.; Oliver, Allen G.","Crystal structure of the thermochromic bis(diethylammonium) tetrachloridocuprate(II) complex","Acta Crystallographica Section E","2016","72","1","40","43","10.1107/S2056989015023348","","","0.71073","MoKα","","0.0238","0.0204","","","0.0417","0.0429","","","","","","1.095","","","","has coordinates,has Fobs","176633","2020-10-21","18:00:00",""
"2241423","26.786","0.003","13.3398","0.0013","13.7571","0.0013","90","","105.837","0.001","90","","4729.1","0.8","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Poly[[tris(nitrato-κ^2^<i>O</i>,<i>O</i>')cerium(III)]-bis(μ-4,4'-bipyridine <i>N</i>,<i>N</i>'-dioxide-κ^2^<i>N</i>:<i>N</i>')]","","- C20 H16 Ce N7 O13 -","- C20 H16 Ce N7 O13 -","- C160 H128 Ce8 N56 O104 -","8","1","WM5242","Stromyer, Michael L.; Lilly, Cassandra P.; Dillner, Adam J.; Knaust, Jacqueline M.","Crystal structures of [<i>Ln</i>(NO~3~)~3~(μ~2~-bpydo)~2~], where <i>Ln</i> = Ce, Pr or Nd, and bpydo = 4,4'-bipyridine <i>N</i>,<i>N</i>'-dioxide: layered coordination networks containing 4^4^ grids","Acta Crystallographica Section E","2016","72","1","25","30","10.1107/S205698901502318X","","","0.71073","MoKα","","0.0218","0.0199","","","0.0493","0.0503","","","","","","1.049","","","","has coordinates,has Fobs","176634","2020-10-21","18:00:00",""
"2241424","26.7416","0.0018","13.3127","0.0009","13.7586","0.0009","90","","105.981","0.001","90","","4708.8","0.5","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Poly[[tris(nitrato-κ^2^<i>O</i>,<i>O</i>')praeseodymium(III)]-bis(μ-4,4'-bipyridine <i>N</i>,<i>N</i>'-dioxide-κ^2^<i>N</i>:<i>N</i>')]","","- C20 H16 N7 O13 Pr -","- C20 H16 N7 O13 Pr -","- C160 H128 N56 O104 Pr8 -","8","1","WM5242","Stromyer, Michael L.; Lilly, Cassandra P.; Dillner, Adam J.; Knaust, Jacqueline M.","Crystal structures of [<i>Ln</i>(NO~3~)~3~(μ~2~-bpydo)~2~], where <i>Ln</i> = Ce, Pr or Nd, and bpydo = 4,4'-bipyridine <i>N</i>,<i>N</i>'-dioxide: layered coordination networks containing 4^4^ grids","Acta Crystallographica Section E","2016","72","1","25","30","10.1107/S205698901502318X","","","0.71073","MoKα","","0.0229","0.0207","","","0.0511","0.0524","","","","","","1.051","","","","has coordinates,has Fobs","176634","2020-10-21","18:00:00",""
"2241425","26.7422","0.001","13.3035","0.0005","13.7804","0.0005","90","","106.065","0.001","90","","4711.1","0.3","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Poly[[tris(nitrato-κ^2^<i>O</i>,<i>O</i>')neodymium(III)]-bis(μ-4,4'-bipyridine <i>N</i>,<i>N</i>'-dioxide-κ^2^<i>N</i>:<i>N</i>'}]","","- C20 H16 N7 Nd O13 -","- C20 H16 N7 Nd O13 -","- C160 H128 N56 Nd8 O104 -","8","1","WM5242","Stromyer, Michael L.; Lilly, Cassandra P.; Dillner, Adam J.; Knaust, Jacqueline M.","Crystal structures of [<i>Ln</i>(NO~3~)~3~(μ~2~-bpydo)~2~], where <i>Ln</i> = Ce, Pr or Nd, and bpydo = 4,4'-bipyridine <i>N</i>,<i>N</i>'-dioxide: layered coordination networks containing 4^4^ grids","Acta Crystallographica Section E","2016","72","1","25","30","10.1107/S205698901502318X","","","0.71073","MoKα","","0.1234","0.051","","","0.0557","0.0666","","","","","","1.006","","","","has coordinates,has Fobs","176634","2020-10-21","18:00:00",""
"2241426","9.753","0.005","10.029","0.006","11.099","0.005","106.281","0.004","96.42","0.005","104.913","0.005","987","0.9","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","Ethyl (1<i>RS</i>,6<i>SR</i>)-4-(2-methyl-1<i>H</i>-imidazol-4-yl)-2-oxo-6-(2,3,5-trichlorophenyl)cyclohex-3-ene-1-carboxylate","","- C19 H17 Cl3 N2 O3 -","- C19 H17 Cl3 N2 O3 -","- C38 H34 Cl6 N4 O6 -","2","1","SU5251","Mohan, Billava J.; Sarojini, Balladka K.; Yathirajan, Hemmige S.; Rathore, Ravindranath; Glidewell, Christopher","Crystal structure of ethyl (1<i>RS</i>,6<i>SR</i>)-4-(2-methyl-1<i>H</i>-imidazol-4-yl)-2-oxo-6-(2,3,5-trichlorophenyl)cyclohex-3-ene-1-carboxylate","Acta Crystallographica Section E","2016","72","1","31","34","10.1107/S2056989015023245","","","0.71073","MoKα","","0.0796","0.0498","","","0.119","0.1459","","","","","","1.033","","","","has coordinates,has Fobs","176635","2020-10-21","18:00:00",""
"2241427","8.7477","0.001","13.488","0.002","20.336","0.003","90","","90","","90","","2399.4","0.6","298","2","298","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","<i>catena</i>-Poly[bis(piperazine-1,4-diium) [[tetraiodidoplumbate(II)]-μ-iodido] iodide monohydrate]","","- C8 H26 I6 N4 O Pb -","- C8 H26 I6 N4 O Pb -","- C32 H104 I24 N16 O4 Pb4 -","4","0.5","VN2104","Mokhnache, Oualid; Boughzala, Habib","Crystal structure of a new hybrid compound based on an iodidoplumbate(II) anionic motif","Acta Crystallographica Section E","2016","72","1","56","59","10.1107/S2056989015023786","","","0.71073","MoKα","","0.0663","0.0372","","","0.0775","0.0862","","","","","","1.05","","","","has coordinates,has Fobs","176637","2020-10-21","18:00:00",""
"2241428","14.6408","0.0016","12.9891","0.0014","16.819","0.0018","90","","90","","90","","3198.5","0.6","193","2","193.15","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","Di-μ-chlorido-bis[chloridobis(tri-<i>tert</i>-butylphosphane)zinc]","","- C24 H54 Cl4 P2 Zn2 -","- C24 H54 Cl4 P2 Zn2 -","- C96 H216 Cl16 P8 Zn8 -","4","0.5","PK2569","Finke, Aaron D.; Gray, Danielle L.; Moore, Jeffrey S.","Crystal structures of three complexes of zinc chloride with tri-<i>tert</i>-butylphosphane","Acta Crystallographica Section E","2016","72","1","35","39","10.1107/S2056989015023373","","","0.71073","MoKα","","0.101","0.0449","","","0.0797","0.0985","","","","","","1.003","","","","has coordinates,has Fobs","176638","2020-10-21","18:00:00",""
"2241429","26.458","0.0011","8.9281","0.0004","8.579","0.0004","90","","90","","90","","2026.53","0.16","193","2","193.15","","","","","","","","","6","P n a 21","P 2c -2n","33","","Dichlorido(tetrahydrofuran-κ<i>O</i>)(tri-<i>tert</i>-butylphosphane-κ<i>P</i>)zinc","","- C16 H35 Cl2 O P Zn -","- C16 H35 Cl2 O P Zn -","- C64 H140 Cl8 O4 P4 Zn4 -","4","1","","Finke, Aaron D.; Gray, Danielle L.; Moore, Jeffrey S.","Crystal structures of three complexes of zinc chloride with tri-<i>tert</i>-butylphosphane","Acta Crystallographica Section E","2016","72","1","35","39","10.1107/S2056989015023373","","","0.71073","MoKα","","0.032","0.0305","","","0.0743","0.0749","","","","","","1.137","","","","has coordinates,has Fobs","176638","2020-10-21","18:00:00",""
"2241430","25.3722","0.0005","8.5841","0.0002","32.912","0.002","90","","98.909","0.007","90","","7081.7","0.5","123","2","123.15","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Tri-<i>tert</i>-butylphosphonium aquatrichloridozincate 1,2-dichloroethane monosolvate","","- C14 H34 Cl5 O P Zn -","- C14 H34 Cl5 O P Zn -","- C168 H408 Cl60 O12 P12 Zn12 -","12","3","","Finke, Aaron D.; Gray, Danielle L.; Moore, Jeffrey S.","Crystal structures of three complexes of zinc chloride with tri-<i>tert</i>-butylphosphane","Acta Crystallographica Section E","2016","72","1","35","39","10.1107/S2056989015023373","","","1.54187","CuKα","","0.0812","0.0487","","","0.1241","0.1417","","","","","","0.982","","","","has coordinates,has disorder,has Fobs","176638","2020-10-21","18:00:00",""
"2241431","6.6981","0.0004","6.9988","0.0004","14.177","0.0009","91.07","0.005","92.131","0.005","96.602","0.005","659.56","0.07","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","4-Nitrobenzoic acid‒<i>N</i>,<i>N</i>'-bis(pyridin-3-ylmethyl)ethanediamide (2/1)","","- C28 H24 N6 O10 -","- C28 H24 N6 O10 -","- C28 H24 N6 O10 -","1","0.5","HB7557","Syed, Sabrina; Halim, Siti Nadiah Abdul; Jotani, Mukesh M.; Tiekink, Edward R. T.","A 2:1 co-crystal of <i>p</i>-nitrobenzoic acid and <i>N</i>,<i>N</i>'-bis(pyridin-3-ylmethyl)ethanediamide: crystal structure and Hirshfeld surface analysis","Acta Crystallographica Section E","2016","72","1","76","82","10.1107/S2056989015024068","","","0.71073","MoKα","","0.0508","0.0398","","","0.0997","0.1095","","","","","","1.054","","","","has coordinates,has Fobs","176641","2020-10-21","18:00:00",""
"2241432","7.0138","0.0003","10.6077","0.0004","6.6021","0.0002","90","","90","","90","","491.2","0.03","296","","296","","","","","","","","","4","P n m a","-P 2ac 2n","62","","Poly[(μ~3~-formato)(μ~4~-oxalato)terbium(III)]","","- C3 H O6 Tb -","- C3 H O6 Tb -","- C12 H4 O24 Tb4 -","4","0.5","ZS2356","Kittipong, Chainok; Khemthong, Phailyn; Kielar, Filip; Zhou, Yan","Crystal structure of a mixed-ligand terbium(III) coordination polymer containing oxalate and formate ligands, having a three-dimensional fcu topology","Acta Crystallographica Section E","2016","72","1","87","91","10.1107/S205698901502397X","","","0.71073","MoKα","","0.0147","0.0119","","","0.0241","0.0247","","","","","","1.097","","","","has coordinates,has Fobs","176643","2020-10-21","18:00:00",""
"2241433","5.6257","0.0006","9.8661","0.0011","14.3979","0.0015","90.834","0.007","91.431","0.007","91.645","0.007","798.47","0.15","150","2","150","2","","","","","","","","4","P -1","-P 1","2","Butylparaben isonicotinamide","Butyl 4-hydroxybenzoate‒isonicotinamide (1/1)","","- C17 H20 N2 O4 -","- C17 H20 N2 O4 -","- C34 H40 N4 O8 -","2","1","CV5494","Bhardwaj, Rajni M.; Yang, Huaiyu; Florence, Alastair J.","Crystal structure of the co-crystal butylparaben‒isonicotinamide (1/1)","Acta Crystallographica Section E","2016","72","1","53","55","10.1107/S2056989015023518","","","0.71073","MoKα","","0.0734","0.0454","","","0.1015","0.1162","","","","","","1.045","","","","has coordinates,has Fobs","176647","2020-10-21","18:00:00",""
"2241434","10.1567","0.0005","10.1567","0.0005","9.2774","0.0006","90","","90","","120","","828.82","0.08","100","2","100","2","","","","","","","","5","P -3 c 1","-P 3 2""c","165","","Potassium hexaphosphitopentaferrate(II,III) hemihydrate","","- Fe5 H7 K0.75 O18.5 P6 -","- Fe5 H6 K0.75 O18.5 P6 -","- Fe10 H12 K1.5 O37 P12 -","2","0.166667","","Larrea, Edurne S.; Mesa, José Luis; Legarra, Estibaliz; Aguayo, Andrés Tomás; Arriortua, Maria Isabel","Crystal structure of K~0.75~[Fe^II^~3.75~Fe^III^~1.25~(HPO~3~)~6~]·0.5H~2~O, an open-framework iron phosphite with mixed-valent Fe^II^/Fe^III^ ions","Acta Crystallographica Section E","2016","72","1","63","65","10.1107/S2056989015024007","","","0.71073","MoKα","","0.0271","0.0256","","","","0.0607","","","","","","1.187","","","","has coordinates,has disorder,has Fobs","176648","2020-10-21","18:00:00",""
"2241435","9.8506","0.0006","11.0603","0.0007","17.8574","0.0012","73.11","0.003","75.53","0.002","89.01","0.002","1799.4","0.2","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","[Bis(2-aminoethyl-κ<i>N</i>)(2-{[4-(trifluoromethyl)benzylidene]amino}ethyl)amine-κ<i>N</i>]dichloridocopper(II)","","- C14 H21 Cl2 Cu F3 N4 -","- C14 H21 Cl2 Cu F3 N4 -","- C56 H84 Cl8 Cu4 F12 N16 -","4","2","PK2570","Bussey, Katherine A.; Cavalier, Annie R.; Mraz, Margaret E.; Holderread, Ashley S.; Oshin, Kayode D.; Oliver, Allen G.; Zeller, Matthias","Crystal structure of [bis(2-aminoethyl-κ<i>N</i>)(2-{[4-(trifluoromethyl)benzylidene]amino}ethyl)amine-κ<i>N</i>]dichloridocopper(II)","Acta Crystallographica Section E","2016","72","1","83","86","10.1107/S2056989015024147","","","0.71073","MoKα","","0.0949","0.0731","","","0.1433","0.151","","","","","","1.223","","","","has coordinates,has Fobs","176649","2020-10-21","18:00:00",""
"2241436","8.8173","0.0011","10.7036","0.0013","10.8452","0.0014","61.939","0.002","77.597","0.002","69.636","0.002","845.15","0.18","298","2","298","2","","","","","","","","6","P -1","-P 1","2","C~19~H~13~Cl~F~2~N~2~O~2","<i>N</i>-{4-[(6-Chloropyridin-3-yl)methoxy]phenyl}-2,6-difluorobenzamide","","- C19 H13 Cl F2 N2 O2 -","- C19 H13 Cl F2 N2 O2 -","- C38 H26 Cl2 F4 N4 O4 -","2","1","SJ5486","Liang, Ying; Shi, Li-Qiao; Yang, Zi-Wen","Crystal structure of <i>N</i>-{4-[(6-chloropyridin-3-yl)methoxy]phenyl}-2,6-difluorobenzamide","Acta Crystallographica Section E","2016","72","1","60","62","10.1107/S2056989015023701","","","0.71073","MoKα","","0.0513","0.0454","","","0.1114","0.1157","","","","","","1.061","","","","has coordinates,has Fobs","176650","2020-10-21","18:00:00",""
"2241437","7.568","0.005","8.879","0.005","19.168","0.005","90","","90","","90","","1288","1.2","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","Poly[diaqua(μ-2-carboxyacetato-κ^3^<i>O</i>,<i>O</i>':<i>O</i>'')(2-carboxyacetato-κ<i>O</i>)di-μ-chlorido-cobalt(II)]","","- C6 H10 Cl2 Co2 O10 -","- C6 H10 Cl2 Co2 O10 -","- C24 H40 Cl8 Co8 O40 -","4","0.5","WM5235","Bouaoud, Yasmina; Setifi, Zouaoui; Buvailo, Andrii; Potaskalov, Vadim A.; Merazig, Hocine; Dénés, Georges","Crystal structure of poly[diaqua(μ-2-carboxyacetato-κ^3^<i>O</i>,<i>O</i>':<i>O</i>'')(2-carboxyacetato-κ<i>O</i>)di-μ-chlorido-dicobalt(II)]","Acta Crystallographica Section E","2016","72","1","21","24","10.1107/S2056989015023269","","","0.71073","MoKα","","0.0711","0.0459","","","0.1057","0.1159","","","","","","1.053","","","","has coordinates,has Fobs","176651","2020-10-21","18:00:00",""
"2241438","14.2425","0.0003","15.4113","0.0003","16.8537","0.0003","90","","90","","90","","3699.31","0.12","100","2","100.01","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","Tris(dimethylamido-κ<i>N</i>)bis(dimethylamine-κ<i>N</i>)zirconium(IV) iodide","","- C10 H32 I N5 Zr -","- C10 H32 I N5 Zr -","- C80 H256 I8 N40 Zr8 -","8","1","PK2563","Clark, Wesley D.; Akurathi, Gopalakrishna; Valle, Henry U.; Hollis, T. Keith","Crystal structure of tris(dimethylamido-κ<i>N</i>)bis(dimethylamine-κ<i>N</i>)zirconium(IV) iodide","Acta Crystallographica Section E","2016","72","1","73","75","10.1107/S2056989015023919","","","0.71073","MoKα","","0.0173","0.0146","","","0.0351","0.0363","","","","","","1.067","","","","has coordinates,has Fobs","176653","2020-10-21","18:00:00",""
"2241439","18.7857","0.0014","18.7857","0.0014","13.8572","0.0012","90","","90","","90","","4890.2","0.7","120","2","120","2","","","","","","","","6","I -4 2 d","I -4 2bw","122","","Tris(<i>trans</i>-1,2-diaminocyclohexane-κ^2^<i>N</i>,<i>N</i>')cobalt(III) trichloride monohydrate","","- C18 H44 Cl3 Co N6 O -","- C18 H44 Cl3 Co N6 O -","- C144 H352 Cl24 Co8 N48 O8 -","8","0.5","LH5797","Gallagher, Megan K.; Oliver, Allen G.; Lappin, A. Graham","Crystal structure of tris(<i>trans</i>-1,2-diaminocyclohexane-κ^2^<i>N</i>,<i>N</i>')cobalt(III) trichloride monohydrate","Acta Crystallographica Section E","2016","72","1","49","52","10.1107/S2056989015023683","","","0.71073","MoKα","","0.0541","0.0471","","","0.1257","0.1297","","","","","","1.061","","","","has coordinates,has Fobs","189124","2020-10-21","18:00:00",""
"2241440","8.4309","0.0006","16.1488","0.0011","8.6878","0.0006","90","","112.994","0.002","90","","1088.85","0.13","295","2","295","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(<i>RS</i>)-(4-Chlorophenyl)(pyridin-2-yl)methanol","","- C12 H10 Cl N O -","- C12 H10 Cl N O -","- C48 H40 Cl4 N4 O4 -","4","1","HB7553","Narayana, Badiadka; Sarojini, Balladka K.; Yathirajan, Hemmige S.; Rathore, Ravindranath; Glidewell, Christopher","Crystal structure of (<i>RS</i>)-(4-chlorophenyl)(pyridin-2-yl)methanol","Acta Crystallographica Section E","2016","72","1","69","72","10.1107/S2056989015023154","","","0.71073","MoKα","","0.0634","0.0445","","","0.1079","0.1183","","","","","","1.059","","","","has coordinates,has Fobs","176655","2020-10-21","18:00:00",""
"2241441","8.8533","0.001","8.8722","0.001","11.2487","0.0014","72.823","0.003","87.281","0.004","80.072","0.003","831.51","0.17","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","Dichloridobis(dimethyl <i>N</i>-cyanodithioiminocarbonate)cobalt(II)","","- C8 H12 Cl2 Co N4 S4 -","- C8 H12 Cl2 Co N4 S4 -","- C16 H24 Cl4 Co2 N8 S8 -","2","1","WM5249","Diop, Mouhamadou Birame; Diop, Libasse; Oliver, Allen G.","Crystal structure of dichloridobis(dimethyl <i>N</i>-cyanodithioiminocarbonate)cobalt(II)","Acta Crystallographica Section E","2016","72","1","66","68","10.1107/S2056989015023439","","","0.71073","MoKα","","0.0397","0.0331","","","0.0827","0.0865","","","","","","1.09","","","","has coordinates,has Fobs","176656","2020-10-21","18:00:00",""
"2241443","10.9173","0.0008","5.8011","0.0006","23.085","0.002","90","","93.16","0.007","90","","1459.8","0.2","110","2","110","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","3-Ferrocenyl-1-phenyl-1<i>H</i>-pyrrole","","- C20 H17 Fe N -","- C20 H17 Fe N -","- C80 H68 Fe4 N4 -","4","1","WM5252","Pfaff, Ulrike; Korb, Marcus; Lang, Heinrich","Crystal structure of 3-ferrocenyl-1-phenyl-1<i>H</i>-pyrrole, [Fe(η^5^-C~5~H~4~^<i>c^</i>C~4~H~3~<i>N</i>Ph)(η^5^-C~5~H~5~)]","Acta Crystallographica Section E","2016","72","1","92","95","10.1107/S2056989015024214","","","0.71073","MoKα","","0.0668","0.045","","","0.1005","0.1102","","","","","","1.021","","","","has coordinates,has Fobs","176639","2020-10-21","18:00:00",""
"2241444","10.7986","0.0006","11.0555","0.0006","11.4118","0.0004","87.918","0.004","82.785","0.004","79.815","0.005","1330.16","0.12","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","Bis(benzylamine-κ<i>N</i>)[5,10,15,20-tetrakis(4-chlorophenyl)porphyrinato-κ^4^<i>N</i>]iron(II) <i>n</i>-hexane monosolvate","","- C64 H56 Cl4 Fe N6 -","- C64 H56 Cl4 Fe N6 -","- C64 H56 Cl4 Fe N6 -","1","0.5","WM5253","Dhifaoui, Selma; Harhouri, Wafa; Bujacz, Anna; Nasri, Habib","Crystal structure of bis(benzylamine-κ<i>N</i>)[5,10,15,20-tetrakis(4-chlorophenyl)porphyrinato-κ^4^<i>N</i>]iron(II) <i>n</i>-hexane monosolvate","Acta Crystallographica Section E","2016","72","1","102","105","10.1107/S2056989015024135","","","1.54184","CuKα","","0.0527","0.0484","","","0.1285","0.1326","","","","","","1.056","","","","has coordinates,has Fobs","176640","2020-10-21","18:00:00",""
"2241445","13.8369","0.0009","12.2202","0.0008","6.8468","0.0004","90","","90","","90","","1157.72","0.13","100","2","100","2","","","","","","","","3","P n a 21","P 2c -2n","33","","7,8,9,10-Tetrahydrobenzo[<i>b</i>]naphtho[2,1-<i>d</i>]furan","","- C16 H14 O -","- C16 H14 O -","- C64 H56 O4 -","4","1","SU5264","Wu, Zhongyuan; Reetz, Manfred T.; Harms, Klaus","Crystal structure of 7,8,9,10-tetrahydrobenzo[<i>b</i>]naphtho[2,1-<i>d</i>]furan","Acta Crystallographica Section E","2016","72","1","106","108","10.1107/S2056989015024512","","","0.71073","MoKα","","0.0467","0.0375","","","0.0778","0.0809","","","","","","1.089","","","","has coordinates,has Fobs","176642","2020-10-21","18:00:00",""
"2241446","13.1128","0.0007","20.8621","0.0012","17.6284","0.001","90","","106.725","0.001","90","","4618.4","0.4","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","0.25-Aqua(benzene-1,4-dicarboxylato-κ^2^<i>O</i>,<i>O</i>')bis(sparfloxacin-κ^2^<i>O</i>,<i>O</i>')manganese(II) dihydrate","","- C46 H52.5 F4 Mn N8 O12.25 -","- C46 H52.5 F4 Mn N8 O12.25 -","- C184 H210 F16 Mn4 N32 O49 -","4","1","SJ5492","An, Zhe; Gao, Jing; Harrison, William T. A.","Crystal structures of [Mn(bdc)(Hspar)~2~(H~2~O)~0.25~]·2H~2~O containing MnO~6+1~ capped trigonal prisms and [Cu(Hspar)~2~](bdc)·2H~2~O containing CuO~4~ squares (Hspar = sparfloxacin and bdc = benzene-1,4-dicarboxylate)","Acta Crystallographica Section E","2016","72","1","96","101","10.1107/S205698901502424X","","","0.71073","MoKα","","0.1223","0.0592","","","0.1284","0.1548","","","","","","1.038","","","","has coordinates,has Fobs","176652","2020-10-21","18:00:00",""
"2241447","13.6039","0.0002","7.8019","0.0001","22.087","0.0003","90","","103.764","0.001","90","","2276.91","0.05","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Bis(sparfloxacin-κ^2^<i>O</i>,<i>O</i>')copper(II) benzene-1,4-dicarboxylate dihydrate","","- C46 H52 Cu F4 N8 O12 -","- C46 H52 Cu F4 N8 O12 -","- C92 H104 Cu2 F8 N16 O24 -","2","0.5","SJ5492","An, Zhe; Gao, Jing; Harrison, William T. A.","Crystal structures of [Mn(bdc)(Hspar)~2~(H~2~O)~0.25~]·2H~2~O containing MnO~6+1~ capped trigonal prisms and [Cu(Hspar)~2~](bdc)·2H~2~O containing CuO~4~ squares (Hspar = sparfloxacin and bdc = benzene-1,4-dicarboxylate)","Acta Crystallographica Section E","2016","72","1","96","101","10.1107/S205698901502424X","","","0.71073","MoKα","","0.0793","0.052","","","0.1274","0.1423","","","","","","1.057","","","","has coordinates,has disorder,has Fobs","176652","2020-10-21","18:00:00",""
"2241449","9.692","0.0006","10.279","0.0006","12.4154","0.0008","96.836","0.002","98.481","0.002","94.188","0.002","1209.47","0.13","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","(<i>n</i>-Butyl)[2-(2,6-dimethoxyphenyl)-6-methylphenyl](2-methoxyphenyl)phosphonium chloride monohydrate","","- C26 H34 Cl O4 P -","- C26 H34 Cl O4 P -","- C52 H68 Cl2 O8 P2 -","2","1","HG5467","Feng, Ge; Filatov, Alexander S.; Jordan, Richard F.","Crystal structure of (<i>n</i>-butyl)[2-(2,6-dimethoxyphenyl)-6-methylphenyl](2-methoxyphenyl)phosphonium chloride monohydrate","Acta Crystallographica Section E","2016","72","2","174","177","10.1107/S2056989015024780","","","0.71073","MoKα","","0.051","0.0379","","","0.0892","0.0963","","","","","","1.043","","","","has coordinates,has Fobs","174433","2020-10-21","18:00:00",""
"2241450","7.3641","0.0002","10.3759","0.0005","12.1358","0.0005","68.853","0.002","84.803","0.003","87.825","0.003","861.27","0.06","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","μ-Oxalodihydroxamato-bis[(2,2'-bipyridyl)(dimethyl sulfoxide-κ<i>O</i>)copper(II)] bis(perchlorate)","","- C26 H30 Cl2 Cu2 N6 O14 S2 -","- C26 H30 Cl2 Cu2 N6 O14 S2 -","- C26 H30 Cl2 Cu2 N6 O14 S2 -","1","0.5","","Odarich, Irina A.; Pavlishchuk, Anna V.; Kalibabchuk, Valentina A.; Haukka, Matti","Crystal structure of μ-oxalodihydroxamato-bis[(2,2'-bipyridyl)(dimethyl sulfoxide-κ<i>O</i>)copper(II)] bis(perchlorate)","Acta Crystallographica Section E","2016","72","2","147","150","10.1107/S2056989016000050","","","0.71069","MoKα","","0.0449","0.0342","","","0.0814","0.0868","","","","","","1.111","","","","has coordinates,has Fobs","174434","2020-10-21","18:00:00",""
"2241451","11.8587","0.0003","16.1619","0.0005","19.2167","0.0005","68.207","0.003","81.077","0.002","86.866","0.002","3378.43","0.18","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","(4-Cyanopyridine-κ<i>N</i>)]{5,10,15,20-tetrakis[4-(benzoyloxy)phenyl]porphyrinato-κ^4^<i>N</i>}zinc‒4-cyanopyridine (1/1)","","- C84 H52 N8 O8 Zn -","- C84 H52 N8 O8 Zn -","- C168 H104 N16 O16 Zn2 -","2","1","XU5882","Nasri, Soumaya; Amiri, Nesrine; Turowska-Tyrk, Ilona; Daran, Jean-Claude; Nasri, Habib","Crystal structure of (4-cyanopyridine-κ<i>N</i>){5,10,15,20-tetrakis[4-(benzoyloxy)phenyl]porphyrinato-κ^4^<i>N</i>}zinc‒4-cyanopyridine (1/1)","Acta Crystallographica Section E","2016","72","2","164","169","10.1107/S2056989016000062","","","0.71073","MoKα","","0.0793","0.0537","","","0.1361","0.1551","","","","","","1.02","","","","has coordinates,has disorder,has Fobs","174435","2020-10-21","18:00:00",""
"2241452","8.6394","0.001","12.0694","0.0013","12.2249","0.0014","113.343","0.003","110.629","0.004","96.54","0.004","1046.6","0.2","180","2","180","2","","","","","","","","5","P -1","-P 1","2","","Bis[4,4'-methylenebis(3,5-dimethyl-1<i>H</i>-pyrazol-2-ium)] β-octamolybdate","","- C22 H36 Mo8 N8 O26 -","- C22 H36 Mo8 N8 O26 -","- C22 H36 Mo8 N8 O26 -","1","0.5","","Amarante, Tatiana R.; Gonçalves, Isabel S.; Almeida Paz, Filipe A.","Crystal structure of an organic‒inorganic supramolecular salt based on a 4,4'-methylenebis(3,5-dimethyl-1<i>H</i>-pyrazol-2-ium) cation and a β-octamolybdate anion","Acta Crystallographica Section E","2016","72","2","124","127","10.1107/S2056989015024524","","","0.71073","MoKα","","0.0329","0.0207","","","0.0418","0.0449","","","","","","1.05","","","","has coordinates,has Fobs","174436","2020-10-21","18:00:00",""
"2241453","15.341","0.003","16.9915","0.0007","9.0308","0.0008","90","","100.62","0.016","90","","2313.7","0.5","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Bis[<i>N</i>-(2-hydroxyethyl)-<i>N</i>-isopropyldithiocarbamato-κ^2^<i>S</i>,<i>S</i>'](piperazine-κ<i>N</i>)cadmium","","- C16 H34 Cd N4 O2 S4 -","- C16 H34 Cd N4 O2 S4 -","- C64 H136 Cd4 N16 O8 S16 -","4","1","HB7558","Safbri, Siti Artikah M.; Halim, Siti Nadiah Abdul; Jotani, Mukesh M.; Tiekink, Edward R. T.","Bis[<i>N</i>-(2-hydroxyethyl)-<i>N</i>-isopropyldithiocarbamato-κ^2^<i>S</i>,<i>S</i>'](piperazine-κ<i>N</i>)cadmium: crystal structure and Hirshfeld surface analysis","Acta Crystallographica Section E","2016","72","2","158","163","10.1107/S2056989016000165","","","0.71073","MoKα","","0.0358","0.0259","","","0.0527","0.058","","","","","","1.033","","","","has coordinates,has Fobs","174437","2020-10-21","18:00:00",""
"2241454","4.5596","0.0009","5.9351","0.0012","9.1874","0.0018","90","","90","","90","","248.63","0.09","293","2","293","2","","","","","","","","3","I m m m","-I 2 2","71","","Distrontium cadmium diplatinum","","- Cd Pt2 Sr2 -","- Cd Pt2 Sr2 -","- Cd2 Pt4 Sr4 -","2","0.125","WM5254","Nawawi, Effendi; Gulo, Fakhili; Köhler, Jürgen","Crystal structure of Sr~2~CdPt~2~ containing linear platinum chains","Acta Crystallographica Section E","2016","72","2","144","146","10.1107/S2056989015024937","","","0.71073","MoKα","","0.0251","0.022","","","0.0562","0.0578","","","","","","1.159","","","","has coordinates,has Fobs","174438","2020-10-21","18:00:00",""
"2241455","18.1637","0.0003","10.3463","0.0002","14.5322","0.0003","90","","90","","90","","2730.99","0.09","160","2","160","2","","","","","","","","6","P n a 21","P 2c -2n","33","","<i>fac</i>-Tricarbonyl(quinoline-2-carboxylato-κ^2^<i>N</i>,<i>O</i>)(triphenylarsane-κ<i>As</i>)rhenium(I)","","- C31 H21 As N O5 Re -","- C31 H21 As N O5 Re -","- C124 H84 As4 N4 O20 Re4 -","4","1","","Triantis, Charalampos; Shegani, Antonio; Kiritsis, Christos; Raptopoulou, Catherine P.; Psycharis, Vassilis; Pelecanou, Maria; Pirmettis, Ioannis; Papadopoulos, Minas","Crystal structure of <i>fac</i>-tricarbonyl(quinoline-2-carboxylato-κ^2^<i>N</i>,<i>O</i>)(triphenylarsane-κ<i>As</i>)rhenium(I)","Acta Crystallographica Section E","2016","72","2","114","116","10.1107/S2056989015024640","","","1.54178","CuKα","","0.0332","0.0325","","","0.0758","0.0762","","","","","","1.054","","","","has coordinates,has Fobs","174439","2020-10-21","18:00:00",""
"2241456","13.2727","0.001","8.6401","0.0004","21.3018","0.0012","90","","105.316","0.007","90","","2356.1","0.3","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(2<i>Z</i>,5<i>Z</i>)-3-(4-Methoxyphenyl)-2-[(4-methoxyphenyl)imino]-5-[(<i>E</i>)-3-(2-nitrophenyl)allylidene]-1,3-thiazolidin-4-one","","- C26 H21 N3 O5 S -","- C26 H21 N3 O5 S -","- C104 H84 N12 O20 S4 -","4","1","XU5881","Rahmani, Rachida; Djafri, Ahmed; Daran, Jean-Claude; Djafri, Ayada; Chouaih, Abdelkader; Hamzaoui, Fodil","Crystal structure of (2<i>Z</i>,5<i>Z</i>)-3-(4-methoxyphenyl)-2-[(4-methoxyphenyl)imino]-5-[(<i>E</i>)-3-(2-nitrophenyl)allylidene]-1,3-thiazolidin-4-one","Acta Crystallographica Section E","2016","72","2","155","157","10.1107/S2056989016000207","","","0.71073","MoKα","","0.1156","0.064","","","0.1448","0.1662","","","","","","1.021","","","","has coordinates,has Fobs","174440","2020-10-21","18:00:00",""
"2241457","18.7471","0.0013","3.8129","0.0004","20.4813","0.0017","90","","100.57","0.007","90","","1439.2","0.2","298","","298","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","<i>N</i>-Hydroxypicolinamide monohydrate","<i>N</i>-Hydroxypyridine-2-carboxamide monohydrate","","- C6 H8 N2 O3 -","- C6 H8 N2 O3 -","- C48 H64 N16 O24 -","8","1","GK2650","Safyanova, Inna S.; Ohui, Kateryna A.; Omelchenko, Irina V.","Crystal structure of <i>N</i>-hydroxypicolinamide monohydrate","Acta Crystallographica Section E","2016","72","2","117","119","10.1107/S2056989015024706","","","0.71073","MoKα","","0.0686","0.0527","","","0.1323","0.1425","","","","","","0.988","","","","has coordinates,has Fobs","174441","2020-10-21","18:00:00",""
"2241458","7.0798","0.0003","15.0376","0.0006","7.9329","0.0003","90","","110.88","0.0006","90","","789.1","0.05","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","<i>catena</i>-Poly[[[<i>trans</i>-bis(acetonitrile-κ<i>N</i>)diaquacobalt(II)]-μ-pyrazine-κ^2^<i>N</i>:<i>N</i>'] dinitrate]","","- C8 H14 Co N6 O8 -","- C8 H14 Co N6 O8 -","- C16 H28 Co2 N12 O16 -","2","0.5","WM5260","Liu, Chen; Felts, Ashley C.; Thuijs, Annaliese E.; Useche, Aaron; Abboud, Khalil A.","Crystal structure of <i>catena</i>-poly[[[<i>trans</i>-bis(acetonitrile-κ<i>N</i>)diaquacobalt(II)]-μ-pyrazine-κ^2^<i>N</i>:<i>N</i>'] dinitrate]","Acta Crystallographica Section E","2016","72","2","151","154","10.1107/S2056989016000220","","","0.71073","MoKα","","0.0206","0.019","","","0.054","0.0549","","","","","","1.069","","","","has coordinates,has Fobs","174442","2020-10-21","18:00:00",""
"2241459","27.254","0.009","16.016","0.006","17.938","0.007","90","","105.92","0.02","90","","7530","5","120","2","120","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Pentakis(μ-carbonyl-κ^2^<i>C</i>:<i>C</i>)tetrakis(triphenylphosphane-κ<i>P</i>)tetrapalladium(5 <i>Pd</i>—<i>Pd</i>) tetrahydrofuran disolvate","","- C85 H76 O7 P4 Pd4 -","- C85 H76 O7 P4 Pd4 -","- C340 H304 O28 P16 Pd16 -","4","0.5","","Robeyns, Koen; Willocq, Christopher; Tinant, Bernard; Devillers, Michel; Hermans, Sophie","Crystal structure of a Pd~4~ carbonyl triphenylphosphane cluster [Pd~4~(CO)~5~(PPh~3~)~4~]·2C~4~H~8~O, comparing solvates","Acta Crystallographica Section E","2016","72","2","120","123","10.1107/S205698901502441X","","","0.71069","MoKα","","0.0466","0.035","","","0.0806","0.0856","","","","","","1.035","","","","has coordinates,has Fobs","174443","2020-10-21","18:00:00",""
"2241460","5.0215","0.0004","9.8852","0.001","17.7668","0.0014","90","","90","","90","","881.92","0.13","100","2","99.97","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","<i>N</i>-(3-Oxobutanoyl)-<i>L</i>-homoserine lactone","","- C8 H11 N O4 -","- C8 H11 N O4 -","- C32 H44 N4 O16 -","4","1","LD2139","Newberry, R.W.; Raines, R.T.","Crystal structure of <i>N</i>-(3-oxobutanoyl)-<small>L</small>-homoserine lactone","Acta Crystallographica Section E","2016","72","2","136","139","10.1107/S2056989015024913","","","1.54178","CuKα","","0.0273","0.0264","","","0.0662","0.0671","","","","","","1.043","","","","has coordinates,has Fobs","174444","2020-10-21","18:00:00",""
"2241461","5.5296","0.0006","23.083","0.003","9.3088","0.0009","90","","112.94","0.005","90","","1094.2","0.2","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1-Benzyl-4-formyl-1<i>H</i>-pyrrole-3-carboxamide","","- C13 H12 N2 O2 -","- C13 H12 N2 O2 -","- C52 H48 N8 O8 -","4","1","SU5268","Zhong, Qi-Di; Hu, Sheng-Quan; Yan, Hong","Crystal structure of 1-benzyl-4-formyl-1<i>H</i>-pyrrole-3-carboxamide","Acta Crystallographica Section E","2016","72","2","133","135","10.1107/S2056989016000128","","","0.71073","MoKα","","0.0358","0.0342","","","0.1202","0.1226","","","","","","1.004","","","","has coordinates,has Fobs","174446","2020-10-21","18:00:00",""
"2241462","4.8742","0.0015","10.247","0.003","8.683","0.003","90","","94.97","0.01","90","","432","0.2","173","2","173","2","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","2,4,6-Tribromobenzonitrile - polytype I","","- C7 H2 Br3 N -","- C7 H2 Br3 N -","- C14 H4 Br6 N2 -","2","0.5","LH5796","Britton, Doyle; Noland, Wayland E.; Tritch, Kenneth J.","Two new polytypes of 2,4,6-tribromobenzonitrile","Acta Crystallographica Section E","2016","72","2","178","183","10.1107/S2056989016000256","","","0.71073","MoKα","","0.0563","0.0462","","","0.1106","0.1158","","","","","","1.012","","","","has coordinates,has Fobs","174447","2020-10-21","18:00:00",""
"2241463","13.6183","0.0013","10.2147","0.001","12.4754","0.0012","90","","90","","90","","1735.4","0.3","173","2","173","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","2,4,6-Tribromobenzonitrile - polytype II","","- C7 H2 Br3 N -","- C7 H2 Br3 N -","- C56 H16 Br24 N8 -","8","1","LH5796","Britton, Doyle; Noland, Wayland E.; Tritch, Kenneth J.","Two new polytypes of 2,4,6-tribromobenzonitrile","Acta Crystallographica Section E","2016","72","2","178","183","10.1107/S2056989016000256","","","0.71073","MoKα","","0.0421","0.0283","","","0.0589","0.0628","","","","","","1.02","","","","has coordinates,has Fobs","174447","2020-10-21","18:00:00",""
"2241464","20.399","0.004","10.2167","0.0018","12.493","0.002","90","","90","","90","","2603.7","0.8","173","2","173","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","2,4,6-Tribromobenzonitrile - polytype III","","- C7 H2 Br3 N -","- C7 H2 Br3 N -","- C84 H24 Br36 N12 -","12","1.5","LH5796","Britton, Doyle; Noland, Wayland E.; Tritch, Kenneth J.","Two new polytypes of 2,4,6-tribromobenzonitrile","Acta Crystallographica Section E","2016","72","2","178","183","10.1107/S2056989016000256","","","0.71073","MoKα","","0.0362","0.023","","","0.0428","0.046","","","","","","1.066","","","","has coordinates,has Fobs","174447","2020-10-21","18:00:00",""
"2241465","13.5916","0.0018","10.1464","0.0013","12.6158","0.0016","90","","90","","90","","1739.8","0.4","173","2","173","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","1,3,5-Tribromo-2-isocyanobenzene - polytype II","","- C7 H2 Br3 N -","- C7 H2 Br3 N -","- C56 H16 Br24 N8 -","8","1","LH5796","Britton, Doyle; Noland, Wayland E.; Tritch, Kenneth J.","Two new polytypes of 2,4,6-tribromobenzonitrile","Acta Crystallographica Section E","2016","72","2","178","183","10.1107/S2056989016000256","","","0.71073","MoKα","","0.0423","0.0254","","","0.0507","0.0554","","","","","","1.057","","","","has coordinates,has Fobs","174447","2020-10-21","18:00:00",""
"2241466","11.3373","0.0004","12.6936","0.0005","21.9616","0.0008","90","","90","","90","","3160.5","0.2","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","5-<i>tert</i>-Butyl-10,15,20-triphenylporphyrin","","- C42 H34 N4 -","- C42 H34 N4 -","- C168 H136 N16 -","4","1","","Flanagan, Keith J.; Mothi, Ebrahim Mohamed; Kötzner, Lisa; Senge, Mathias O.","Crystal structure of 5-<i>tert</i>-butyl-10,15,20-triphenylporphyrin","Acta Crystallographica Section E","2016","72","2","128","132","10.1107/S2056989016000025","","","0.71073","MoKα","","0.04","0.0375","","","0.1035","0.1058","","","","","","1.063","","","","has coordinates,has Fobs","174448","2020-10-21","18:00:00",""
"2241467","12.7949","0.001","10.5639","0.0009","9.6676","0.0006","90","","90","","90","","1306.71","0.17","293","2","293","2","","","","","","","","4","P n a 21","P 2c -2n","33","<i>N</i>^6^-benzoyladeninium nitrate","<i>N</i>^6^-benzoyladeninium nitrate","","- C12 H10 N6 O4 -","- C12 H10 N6 O4 -","- C48 H40 N24 O16 -","4","1","SJ5489","Karthikeyan, Ammasai; Jeeva Jasmine, Nithianantham; Thomas Muthiah, Packianathan; Perdih, Franc","Supramolecular hydrogen-bonding patterns in the N(9)—H protonated and N(7)—H tautomeric form of an <i>N^6^</i>-benzoyladenine salt: <i>N</i>^6^-benzoyladeninium nitrate","Acta Crystallographica Section E","2016","72","2","140","143","10.1107/S2056989015024871","","","0.71073","MoKα","","0.0531","0.0399","","","0.0863","0.0969","","","","","","1.098","","","","has coordinates,has Fobs","174449","2020-10-21","18:00:00",""
"2241468","9.6999","0.0004","25.8275","0.0013","13.5791","0.0007","90","","110.222","0.002","90","","3192.2","0.3","120","2","120","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","[<i>N</i>'-(Pyridin-2-ylmethylidene-κ<i>N</i>)benzohydrazide-κ^2^<i>N</i>',<i>O</i>]tris(thiocyanato-κ<i>N</i>)praseodymium(III) monohydrate","","- C29 H24 N9 O3 Pr S3 -","- C29 H24 N9 O3 Pr S3 -","- C116 H96 N36 O12 Pr4 S12 -","4","1","SU5267","Paschalidis, Damianos G.; Harrison, William T. A.","Two mixed-ligand lanthanide‒hydrazone complexes: [Pr(NCS)~3~(pbh)~2~]·H~2~O and [Nd(NCS)(NO~3~)(pbh)~2~(H~2~O)]NO~3~·2.33H~2~O [pbh is <i>N</i>'-(pyridin-2-ylmethylidene)benzohydrazide, C~13~H~11~N~3~O]","Acta Crystallographica Section E","2016","72","2","191","195","10.1107/S2056989015024962","","","0.71073","MoKα","","0.0717","0.0365","","","0.0682","0.0787","","","","","","1.038","","","","has coordinates,has Fobs","174532","2020-10-21","18:00:00",""
"2241469","11.2796","0.0003","17.3802","0.0003","17.4298","0.0004","90","","96.8035","0.0009","90","","3392.91","0.13","120","2","120","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Aqua(nitrato-κ^2^<i>O</i>,<i>O</i>')[<i>N</i>'-(pyridin-2-ylmethylidene-κ<i>N</i>)benzohydrazide-κ^2^<i>N</i>',<i>O</i>](thiocyanato-κ<i>N</i>)neodymium(III) nitrate 2.33-hydrate","","- C27 H28.66 N9 Nd O11.33 S -","- C27 H28.656 N9 Nd O11.328 S -","- C108 H114.624 N36 Nd4 O45.312 S4 -","4","1","SU5267","Paschalidis, Damianos G.; Harrison, William T. A.","Two mixed-ligand lanthanide‒hydrazone complexes: [Pr(NCS)~3~(pbh)~2~]·H~2~O and [Nd(NCS)(NO~3~)(pbh)~2~(H~2~O)]NO~3~·2.33H~2~O [pbh is <i>N</i>'-(pyridin-2-ylmethylidene)benzohydrazide, C~13~H~11~N~3~O]","Acta Crystallographica Section E","2016","72","2","191","195","10.1107/S2056989015024962","","","0.70173","MoKα","","0.0353","0.0258","","","0.0562","0.0603","","","","","","1.025","","","","has coordinates,has Fobs","174532","2020-10-21","18:00:00",""
"2241470","4.3564","0.0002","16.4069","0.0008","15.8598","0.0007","90","","94.793","0.002","90","","1129.62","0.09","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","2-Hydroxy-3-(2-methylprop-1-en-1-yl)naphthalene-1,4-dione","","- C14 H12 O3 -","- C14 H12 O3 -","- C56 H48 O12 -","4","1","ZS2357","Alcantara Emiliano, Sannyele; Welma Duarte Silva, Sheyla; Alves Pereira, Mariano; R.dos Santos Malta, Valeria; Luciano Balliano, Tatiane","Crystal structure and conformational analysis of 2-hydroxy-3-(2-methylprop-1-en-1-yl)naphthalene-1,4-dione","Acta Crystallographica Section E","2016","72","2","188","190","10.1107/S2056989015024755","","","0.71073","MoKα","","0.0883","0.0612","","","","0.1908","","","","","","1.033","","","","has coordinates,has Fobs","174533","2020-10-21","18:00:00",""
"2241471","6.184","0.0003","9.6495","0.0004","23.1111","0.001","90","","90","","90","","1379.1","0.11","90","1","90","1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(<i>S</i>)-(+)-5-(3-Bromo-4-isopropoxyphenyl)-5-methylimidazolidine-2,4-dione","","- C13 H15 Br N2 O3 -","- C13 H15 Br N2 O3 -","- C52 H60 Br4 N8 O12 -","4","1","SJ5484","Ohba, Shigeru; Koura, Minoru; Sumida, Hisashi; Shibuya, Kimiyuki","Crystal structures of (<i>S</i>)-(+)-5-(3-bromo/chloro-4-isopropoxyphenyl)-5-methylimidazolidine-2,4-dione","Acta Crystallographica Section E","2016","72","2","184","187","10.1107/S2056989015023014","","","0.71073","MoKα","","0.018","0.0173","","","0.0469","0.0474","","","","","","1.294","","","","has coordinates","174534","2020-10-21","18:00:00",""
"2241472","7.1397","0.0003","10.0128","0.0004","20.0431","0.0008","90","","90","","90","","1432.85","0.1","90","1","90","1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(<i>S</i>)-(+)-5-(3-Chloro-4-isopropoxyphenyl)-5-methylimidazolidine-2,4-dione","","- C13 H15 Cl N2 O3 -","- C13 H15 Cl N2 O3 -","- C52 H60 Cl4 N8 O12 -","4","1","SJ5484","Ohba, Shigeru; Koura, Minoru; Sumida, Hisashi; Shibuya, Kimiyuki","Crystal structures of (<i>S</i>)-(+)-5-(3-bromo/chloro-4-isopropoxyphenyl)-5-methylimidazolidine-2,4-dione","Acta Crystallographica Section E","2016","72","2","184","187","10.1107/S2056989015023014","","","0.71073","MoKα","","0.0279","0.0272","","","0.079","0.0793","","","","","","1.68","","","","has coordinates","174534","2020-10-21","18:00:00",""
"2241473","6.773","0.0003","23.1063","0.0011","16.9483","0.0008","90","","90","","90","","2652.4","0.2","100","2","100","2","","","","","","","","6","P c c n","-P 2ab 2ac","56","","(2,2'-Bipyridyl-κ^2^<i>N</i>,<i>N</i>')bis[<i>N</i>,<i>N</i>-bis(2-hydroxyethyl)dithiocarbamato-κ^2^<i>S</i>,<i>S</i>']zinc dihydrate","","- C20 H32 N4 O6 S4 Zn -","- C20 H32 N4 O6 S4 Zn -","- C80 H128 N16 O24 S16 Zn4 -","4","0.5","WM5262","Safbri, Siti Artikah M.; Halim, Siti Nadiah Abdul; Tiekink, Edward R. T.","Crystal structures of (2,2'-bipyridyl-κ^2^<i>N</i>,<i>N</i>')bis[<i>N</i>,<i>N</i>-bis(2-hydroxyethyl)dithiocarbamato-κ^2^<i>S</i>,<i>S</i>']zinc dihydrate and (2,2'-bipyridyl-κ^2^<i>N</i>,<i>N</i>')bis[<i>N</i>-(2-hydroxyethyl)-<i>N</i>-isopropyldithiocarbamato-κ^2^<i>S</i>,<i>S</i>']zinc","Acta Crystallographica Section E","2016","72","2","203","208","10.1107/S2056989016000700","","","0.71073","MoKα","","0.0361","0.0271","","","0.0602","0.0661","","","","","","1.019","","","","has coordinates,has Fobs","174630","2020-10-21","18:00:00",""
"2241474","19.4997","0.0011","9.0027","0.0005","15.5352","0.0008","90","","98.031","0.005","90","","2700.5","0.3","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","(2,2'-Bipyridyl-κ^2^<i>N</i>,<i>N</i>')bis[<i>N</i>-(2-hydroxyethyl)-<i>N</i>-isopropyldithiocarbamato-κ^2^<i>S</i>,<i>S</i>']zinc","","- C22 H32 N4 O2 S4 Zn -","- C22 H32 N4 O2 S4 Zn -","- C88 H128 N16 O8 S16 Zn4 -","4","0.5","WM5262","Safbri, Siti Artikah M.; Halim, Siti Nadiah Abdul; Tiekink, Edward R. T.","Crystal structures of (2,2'-bipyridyl-κ^2^<i>N</i>,<i>N</i>')bis[<i>N</i>,<i>N</i>-bis(2-hydroxyethyl)dithiocarbamato-κ^2^<i>S</i>,<i>S</i>']zinc dihydrate and (2,2'-bipyridyl-κ^2^<i>N</i>,<i>N</i>')bis[<i>N</i>-(2-hydroxyethyl)-<i>N</i>-isopropyldithiocarbamato-κ^2^<i>S</i>,<i>S</i>']zinc","Acta Crystallographica Section E","2016","72","2","203","208","10.1107/S2056989016000700","","","0.71073","MoKα","","0.0395","0.0302","","","0.0674","0.073","","","","","","1.028","","","","has coordinates,has Fobs","174630","2020-10-21","18:00:00",""
"2241475","10.2826","0.0002","16.2448","0.0003","14.9849","0.0003","90","","111.674","0.001","90","","2326.09","0.08","295","2","295","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","<i>catena</i>-Poly[1,3-benzothiazol-3-ium [[dichloridoantimonate(III)]-di-μ-chlorido-μ-oxido-[chloridoantimonate(III)]-μ-chlorido]]","","- C14 H12 Cl6 N2 O S2 Sb2 -","- C14 H12 Cl6 N2 O S2 Sb2 -","- C56 H48 Cl24 N8 O4 S8 Sb8 -","4","1","HG5468","Chebout, Oussama; Boudraa, Mhamed; Bouacida, Sofiane; Merazig, Hocine; Boudaren, Chaouki","<i>catena</i>-Poly[bis(1,3-benzothiazol-3-ium) [[dichloridoantimonate(III)]-di-μ-chlorido-μ-oxido-[chloridoantimonate(III)]-μ-chlorido]]","Acta Crystallographica Section E","2016","72","2","212","214","10.1107/S2056989016000785","","","0.71073","MoKα","","0.0284","0.0217","","","0.0466","0.0495","","","","","","1.022","","","","has coordinates,has Fobs","174631","2020-10-21","18:00:00",""
"2241476","15.6223","0.0003","5.8379","0.0001","14.7114","0.0003","90","","101.868","0.002","90","","1313.02","0.04","120","2","120","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Poly[μ~2~-aqua-aqua[μ~3~-<i>N</i>-butyl-<i>N</i>-(2-hydroxyethyl)dithiocarbamato-κ^3^<i>O</i>,<i>O</i>':<i>S</i>]sodium]","","- C7 H18 N Na O3 S2 -","- C7 H18 N Na O3 S2 -","- C28 H72 N4 Na4 O12 S8 -","4","1","CV5500","Bhat, Muzzaffar A.; Jain, Shalini; Srivastava, Sanjay K.; Butcher, Ray J.; Wikaira, Jan","Poly[μ~2~-aqua-aqua[μ~3~-<i>N</i>-butyl-<i>N</i>-(2-hydroxyethyl)dithiocarbamato-κ^3^<i>O</i>,<i>O</i>':<i>S</i>]sodium]","Acta Crystallographica Section E","2016","72","2","196","198","10.1107/S2056989016000657","","","1.54184","CuKα","","0.0299","0.0288","","","0.0789","0.0798","","","","","","1.052","","","","has coordinates,has Fobs","174632","2020-10-21","18:00:00",""
"2241477","16.564","0.002","6.3581","0.0007","15.962","0.002","90","","105.239","0.005","90","","1621.9","0.3","296","2","296","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","(1<i>E</i>,4<i>E</i>)-1,5-Bis(5-bromothiophen-2-yl)-2,4-dimethylpenta-1,4-dien-3-one","","- C15 H12 Br2 O S2 -","- C15 H12 Br2 O S2 -","- C60 H48 Br8 O4 S8 -","4","1","BG2578","Nithya, C.; Sithambaresan, M.; Kurup, M. R. Prathapachandra","Crystal structures of (1<i>E</i>,4<i>E</i>)-1,5-bis(5-bromothiophen-2-yl)-2,4-dimethylpenta-1,4-dien-3-one and (<i>E</i>)-4-(5-bromothiophen-2-yl)-1,3-diphenylbut-3-en-2-one","Acta Crystallographica Section E","2016","72","2","199","202","10.1107/S205698901600058X","","","0.71073","MoKα","","0.1394","0.0591","","","0.1439","0.181","","","","","","0.984","","","","has coordinates,has Fobs","174633","2020-10-21","18:00:00",""
"2241478","7.5879","0.0004","8.5361","0.0006","14.097","0.0008","99.51","0.003","97.673","0.003","101.956","0.003","867.58","0.09","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","(<i>E</i>)-4-(5-Bromothiophen-2-yl)-1,3-diphenylbut-3-en-2-one","","- C20 H15 Br O S -","- C20 H15 Br O S -","- C40 H30 Br2 O2 S2 -","2","1","BG2578","Nithya, C.; Sithambaresan, M.; Kurup, M. R. Prathapachandra","Crystal structures of (1<i>E</i>,4<i>E</i>)-1,5-bis(5-bromothiophen-2-yl)-2,4-dimethylpenta-1,4-dien-3-one and (<i>E</i>)-4-(5-bromothiophen-2-yl)-1,3-diphenylbut-3-en-2-one","Acta Crystallographica Section E","2016","72","2","199","202","10.1107/S205698901600058X","","","0.71073","MoKα","","0.0676","0.0428","","","0.107","0.1175","","","","","","1.054","","","","has coordinates,has Fobs","174633","2020-10-21","18:00:00",""
"2241479","9.5507","0.0003","9.5507","0.0003","7.0513","0.0003","90","","90","","120","","557.02","0.03","298","2","298","2","","","","","","","","4","P 63/m","-P 6c","176","","Dicalcium octaneodymium hexakis(orthosilicate) dioxide","","- Ca2.49 Nd7.51 O25.75 Si6 -","- Ca2.494 Nd7.506 O25.76 Si6 -","- Ca2.494 Nd7.506 O25.76 Si6 -","1","0.0833333","RU2066","Le, Thu Hoai; Brooks, Neil R.; Binnemans, Koen; Blanpain, Bart; Guo, Muxing; Van Meervelt, Luc","Crystal structure of apatite type Ca~2.49~Nd~7.51~(SiO~4~)~6~O~1.75~","Acta Crystallographica Section E","2016","72","2","209","211","10.1107/S205698901600089X","","","0.71073","MoKα","","0.0215","0.0186","","","0.0339","0.0348","","","","","","1.108","","","","has coordinates,has disorder,has Fobs","174634","2020-10-21","18:00:00",""
"2241517","11.9512","0.0005","12.9022","0.0005","6.7756","0.0003","90","","111.678","0.001","90","","970.88","0.07","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Sodium (sodium,manganese) triiron(II,III) tris[vanadate(V)]","","- Fe3 Mn0.3 Na1.4 O12 V3 -","- Fe3 Mn0.3 Na1.4 O12 V3 -","- Fe12 Mn1.2 Na5.6 O48 V12 -","4","0.5","WM5259","Benhsina, Elhassan; Assani, Abderrazzak; Saadi, Mohamed; El Ammari, Lahcen","Crystal structure of (Na~0.70~)(Na~0.70~,Mn~0.30~)(Fe^3+^,Fe^2+^)~2~Fe^2+^(VO~4~)~3~, a sodium-, iron- and manganese-based vanadate with the alluaudite-type structure","Acta Crystallographica Section E","2016","72","2","220","222","10.1107/S2056989016000931","","","0.71073","MoKα","","0.0245","0.0202","","","0.054","0.0559","","","","","","1.122","","","","has coordinates,has Fobs","174795","2020-10-21","18:00:00",""
"2241518","10.0279","0.0003","12.954","0.0004","16.819","0.0005","112.306","0.003","96.08","0.003","103.601","0.003","1917.8","0.12","110","2","110","2","","","","","","","","6","P -1","-P 1","2","","(μ-1,4-Dicarboxybutane-1,4-dicarboxylato)bis[bis(triphenylphosphane)silver(I)] dichloromethane trisolvate","","- C83 H74 Ag2 Cl6 O8 P4 -","- C83 H74 Ag2 Cl6 O8 P4 -","- C83 H74 Ag2 Cl6 O8 P4 -","1","0.5","","Frenzel, Peter; Korb, Marcus; Lang, Heinrich","Crystal structure of (μ-1,4-dicarboxybutane-1,4-dicarboxylato)bis[bis(triphenylphosphane)silver(I)] dichloromethane trisolvate","Acta Crystallographica Section E","2016","72","2","215","219","10.1107/S2056989016000797","","","0.71073","MoKα","","0.0381","0.0338","","","0.0803","0.0827","","","","","","1.058","","","","has coordinates,has disorder,has Fobs","174796","2020-10-21","18:00:00",""
"2241519","14.6943","0.0005","11.1227","0.0003","8.3523","0.0003","90","","105.778","0.004","90","","1313.67","0.08","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Bis(1,3-diaminopropane-κ^2^<i>N</i>,<i>N</i>')bis[2-(4-nitrophenyl)acetato-κ<i>O</i>]cadmium","","- C22 H32 Cd N6 O8 -","- C22 H32 Cd N6 O8 -","- C44 H64 Cd2 N12 O16 -","2","0.5","WM5258","Rahn, Ian M.; Crawford, Carlos L.; Assefa, Zerihun; Hendrich, Jeffery; Sykora, Richard E.","Crystal structure of bis(1,3-diaminopropane-κ^2^<i>N</i>,<i>N</i>')bis[2-(4-nitrophenyl)acetato-κ<i>O</i>]cadmium","Acta Crystallographica Section E","2016","72","2","226","228","10.1107/S2056989016000943","","","0.71073","MoKα","","0.0362","0.0248","","","0.0506","0.0559","","","","","","1.064","","","","has coordinates,has Fobs","174797","2020-10-21","18:00:00",""
"2241520","8.063","0.0016","8.511","0.0017","10.927","0.002","80.52","0.03","88.26","0.03","86.44","0.03","738","0.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","<i>trans</i>-(1,8-Dibutyl-1,3,6,8,10,13-hexaazacyclotetradecane-κ^4^<i>N</i>^3^,<i>N</i>^6^,<i>N</i>^10^,<i>N</i>^13^)bis(isonicotinato-κ<i>O</i>)nickel(II)","","- C28 H46 N8 Ni O4 -","- C28 H46 N8 Ni O4 -","- C28 H46 N8 Ni O4 -","1","0.5","WM5263","Shin, Jong Won; Kim, Dae-Woong; Moon, Dohyun","Crystal structure of <i>trans</i>-(1,8-dibutyl-1,3,6,8,10,13-hexaazacyclotetradecane-κ^4^<i>N</i>^3^,<i>N</i>^6^,<i>N</i>^10^,<i>N</i>^13^)bis(isonicotinato-κ<i>O</i>)nickel(II) determined from synchrotron data","Acta Crystallographica Section E","2016","72","2","223","225","10.1107/S2056989016001031","","","0.62998","synchrotron","","0.0499","0.0404","","","0.105","0.1099","","","","","","1.044","","","","has coordinates,has Fobs","174798","2020-10-21","18:00:00",""
"2241521","8.4249","0.0012","12.2465","0.001","16.2561","0.0013","90","","103.73","0.008","90","","1629.3","0.3","293","2","293","2","","","","","","","","4","I 1 a 1","I -2ya","9","","Dimethyl 5,6-bis(pyridin-2-yl)pyrazine-2,3-dicarboxylate","","- C18 H14 N4 O4 -","- C18 H14 N4 O4 -","- C72 H56 N16 O16 -","4","1","","Alfonso, Montserrat; Stoeckli-Evans, Helen","Dimethyl and diethyl esters of 5,6-bis(pyridin-2-yl)pyrazine-2,3-dicarboxylic acid: a comparison","Acta Crystallographica Section E","2016","72","2","233","237","10.1107/S2056989016001080","","","0.71073","MoKα","","0.0572","0.0495","","","0.126","0.1351","","","","","","1.108","","","","has coordinates,has Fobs","175183","2020-10-21","18:00:00",""
"2241522","10.2295","0.0006","10.2295","0.0006","36.281","0.003","90","","90","","90","","3796.5","0.4","223","2","223","2","","","","","","","","4","I 41/a","-I 4ad","88","","Diethyl 5,6-bis(pyridin-2-yl)pyrazine-2,3-dicarboxylate","","- C20 H18 N4 O4 -","- C20 H18 N4 O4 -","- C160 H144 N32 O32 -","8","","","Alfonso, Montserrat; Stoeckli-Evans, Helen","Dimethyl and diethyl esters of 5,6-bis(pyridin-2-yl)pyrazine-2,3-dicarboxylic acid: a comparison","Acta Crystallographica Section E","2016","72","2","233","237","10.1107/S2056989016001080","","","0.71073","MoKα","","0.0793","0.0492","","","0.1358","0.1493","","","","","","1.006","","","","has coordinates,has Fobs","175183","2020-10-21","18:00:00",""
"2241523","8.9221","0.0006","9.1927","0.0007","20.3446","0.0016","90","","93.829","0.002","90","","1664.9","0.2","103","2","103","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Diethyl 3-(3-chlorophenyl)-2,2-dicyanocyclopropane-1,1-dicarboxylate","","- C17 H15 Cl N2 O4 -","- C17 H15 Cl N2 O4 -","- C68 H60 Cl4 N8 O16 -","4","1","","May, Nóra Veronika; Gál, Gyula Tamás; Rapi, Zsolt; Bakó, Péter","Crystal structure of diethyl 3-(3-chlorophenyl)-2,2-dicyanocyclopropane-1,1-dicarboxylate","Acta Crystallographica Section E","2016","72","2","253","256","10.1107/S2056989016001444","","","0.71073","MoKα","","0.0511","0.0416","","","0.0992","0.1125","","","","","","1.109","","","","has coordinates,has Fobs","175184","2020-10-21","18:00:00",""
"2241524","13.469","0.003","13.48","0.003","13.442","0.002","90","","90","","90","","2440.6","0.8","293","","293","","","","","","","","","4","P b c a","-P 2ac 2ab","61","rubidium nickel silicon oxide","Dirubidium nickel(II) pentasilicate","","- Ni O12 Rb2 Si5 -","- Ni O12 Rb2 Si5 -","- Ni8 O96 Rb16 Si40 -","8","1","VN2106","Bell, Anthony M. T.; Henderson, C. Michael B.","Rietveld refinement of the crystal structures of Rb~2~<i>X</i>Si~5~O~12~ (<i>X</i> = Ni, Mn).","Acta Crystallographica Section E","2016","72","2","249","252","10.1107/S2056989016001390","powder diffraction","","1.5418","CuKα","","","","","","","","","","2.817","","","","","","","has coordinates,has Fobs","175185","2020-10-21","18:00:00",""
"2241525","13.4085","0.001","13.6979","0.0011","13.5761","0.001","90","","90","","90","","2493.5","0.3","293","","293","","","","","","","","","4","P b c a","-P 2ac 2ab","61","rubidium manganese silicon oxide","Dirubidium managnese(II) pentasilicate","","- Mn O12 Rb2 Si5 -","- Mn O12 Rb2 Si5 -","- Mn8 O96 Rb16 Si40 -","8","1","VN2106","Bell, Anthony M. T.; Henderson, C. Michael B.","Rietveld refinement of the crystal structures of Rb~2~<i>X</i>Si~5~O~12~ (<i>X</i> = Ni, Mn).","Acta Crystallographica Section E","2016","72","2","249","252","10.1107/S2056989016001390","powder diffraction","","1.5418","CuKα","","","","","","","","","","2.263","","","","","","","has coordinates","175185","2020-10-21","18:00:00",""
"2241526","11.0111","0.0007","13.1762","0.0008","15.8196","0.0009","90","","93.802","0.002","90","","2290.1","0.2","103","2","103","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","diethyl-2-acetoxy-2-(3-(4-nitrophenyl)3-oxo-1-phenylpropyl)malonate","","- C24 H25 N O9 -","- C24 H25 N O9 -","- C96 H100 N4 O36 -","4","1","","May, Nóra Veronika; Gál, Gyula Tamás; Rapi, Zsolt; Bakó, Péter","Crystal structure of diethyl 2-acetoxy-2-[3-(4-nitrophenyl)-3-oxo-1-phenylpropyl]malonate","Acta Crystallographica Section E","2016","72","2","257","260","10.1107/S2056989016001432","","","0.71073","MoKα","","0.0641","0.0486","","","0.1135","0.1278","","","","","","1.118","","","","has coordinates,has Fobs","175186","2020-10-21","18:00:00",""
"2241527","7.5488","0.0004","21.4944","0.0014","7.8936","0.0005","90","","111.717","0.0019","90","","1189.88","0.13","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","6-[6-(Pyridin-2-yl)-1,2,4,5-tetrazin-3-yl]pyridin-3-amine monohydrate","","- C12 H11 N7 O -","- C12 H11 N7 O -","- C48 H44 N28 O4 -","4","1","ZL4001","Broichhagen, Johannes; Klingl, Yvonne E.; Trauner, Dirk; Mayer, Peter","6-[6-(Pyridin-2-yl)-1,2,4,5-tetrazin-3-yl]pyridin-3-amine monohydrate","Acta Crystallographica Section E","2016","72","2","238","240","10.1107/S2056989016000608","","","0.71073","MoKα","","0.0527","0.0379","","","0.0931","0.1005","","","","","","1.064","","","","has coordinates,has Fobs","175187","2020-10-21","18:00:00",""
"2241528","5.0436","0.0003","18.4232","0.001","16.0796","0.0009","90","","95.878","0.005","90","","1486.25","0.15","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2-({[(Pyridin-1-ium-2-ylmethyl)carbamoyl]formamido}methyl)pyridin-1-ium bis(3,5-dicarboxybenzoate)","","- C32 H26 N4 O14 -","- C32 H26 N4 O14 -","- C64 H52 N8 O28 -","2","0.5","HB7560","Jotani, Mukesh M.; Syed, Sabrina; Halim, Siti Nadiah Abdul; Tiekink, Edward R. T.","2-({[(Pyridin-1-ium-2-ylmethyl)carbamoyl]formamido}methyl)pyridin-1-ium bis(3,5-dicarboxybenzoate): crystal structure and Hirshfeld surface analysis","Acta Crystallographica Section E","2016","72","2","241","248","10.1107/S2056989016000980","","","0.71073","MoKα","","0.0687","0.0506","","","0.1204","0.1343","","","","","","1.071","","","","has coordinates,has Fobs","175188","2020-10-21","18:00:00",""
"2241529","9.6437","0.0006","15.9441","0.0011","15.9641","0.0011","90","","105.051","0.002","90","","2370.4","0.3","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","2-[Bis(2-methoxyphenyl)phosphaniumyl]-4-methylbenzenesulfonate monohydrate dichloromethane monosolvate","","- C22 H25 Cl2 O6 P S -","- C22 H25 Cl2 O6 P S -","- C88 H100 Cl8 O24 P4 S4 -","4","1","CV5502","Zhang, Hongyang; Feng, Ge; Filatov, Alexander S.; Jordan, Richard F.","Crystal structure of zwitterionic 2-[bis(2-methoxyphenyl)phosphaniumyl]-4-methylbenzenesulfonate monohydrate dichloromethane monosolvate","Acta Crystallographica Section E","2016","72","2","229","232","10.1107/S2056989016000669","","","0.71073","MoKα","","0.044","0.0381","","","0.1015","0.1058","","","","","","1.045","","","","has coordinates,has Fobs","175189","2020-10-21","18:00:00",""
"2241530","9.0152","0.0003","13.6579","0.0004","14.6366","0.0004","90","","102.176","0.001","90","","1761.64","0.09","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Methyl (<i>E</i>)-3-(2-chlorophenyl)-2-({2-[(<i>E</i>)-2-nitrovinyl]phenoxy}methyl)acrylate","","- C19 H16 Cl N O5 -","- C19 H16 Cl N O5 -","- C76 H64 Cl4 N4 O20 -","4","1","SU5265","Vimala, G.; Poomathi, N.; Perumal, P. T.; SubbiahPandi, A.","Crystal structures of methyl (<i>E</i>)-3-(2-chlorophenyl)-2-({2-[(<i>E</i>)-2-nitrovinyl]phenoxy}methyl)acrylate and methyl (<i>E</i>)-2-({4-chloro-2-[(<i>E</i>)-2-nitrovinyl]phenoxy}methyl)-3-(2-chlorophenyl)acrylate","Acta Crystallographica Section E","2016","72","2","261","265","10.1107/S2056989016001493","","","0.71073","MoKα","","0.0615","0.0402","","","0.0975","0.109","","","","","","1.037","","","","has coordinates,has Fobs","175337","2020-10-21","18:00:00",""
"2241531","9.2372","0.0003","14.5027","0.0005","14.483","0.0005","90","","94.521","0.002","90","","1934.17","0.11","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Methyl (<i>E</i>)-2-({4-chloro-2-[(<i>E</i>)-2-nitrovinyl]phenoxy}methyl)-3-(2-chlorophenyl)acrylate","","- C19 H15 Cl2 N O5 -","- C19 H15 Cl2 N O5 -","- C76 H60 Cl8 N4 O20 -","4","1","SU5265","Vimala, G.; Poomathi, N.; Perumal, P. T.; SubbiahPandi, A.","Crystal structures of methyl (<i>E</i>)-3-(2-chlorophenyl)-2-({2-[(<i>E</i>)-2-nitrovinyl]phenoxy}methyl)acrylate and methyl (<i>E</i>)-2-({4-chloro-2-[(<i>E</i>)-2-nitrovinyl]phenoxy}methyl)-3-(2-chlorophenyl)acrylate","Acta Crystallographica Section E","2016","72","2","261","265","10.1107/S2056989016001493","","","0.71073","MoKα","","0.0887","0.0552","","","0.1261","0.1426","","","","","","1.039","","","","has coordinates,has Fobs","175337","2020-10-21","18:00:00",""
"2241532","15.2925","0.0002","10.0745","0.0001","11.9726","0.0001","90","","93.413","0.001","90","","1841.28","0.03","100","1","100","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","3-{[4-(2-Methoxyphenyl)piperazin-1-yl]methyl}-5-(thiophen-2-yl)-1,3,4-oxadiazole-2(3<i>H</i>)-thione","","- C18 H20 N4 O2 S2 -","- C18 H20 N4 O2 S2 -","- C72 H80 N16 O8 S8 -","4","1","SU5269","Al-Alshaikh, Monirah A.; Abuelizz, Hatem A.; El-Emam, Ali A.; Abdelbaky, Mohammed S. M.; Garcia-Granda, Santiago","Crystal structure of 3-{[4-(2-methoxyphenyl)piperazin-1-yl]methyl}-5-(thiophen-2-yl)-1,3,4-oxadiazole-2(3<i>H</i>)-thione","Acta Crystallographica Section E","2016","72","2","269","272","10.1107/S2056989016000992","","","1.54184","CuKα","","0.0452","0.0445","","","0.1125","0.1129","","","","","","1.043","","","","has coordinates,has disorder,has Fobs","175338","2020-10-21","18:00:00",""
"2241533","5.8831","0.0001","12.9095","0.0004","18.5655","0.0005","90","","90","","90","","1410.01","0.06","173","2","173","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","(1<i>S</i>,2<i>R</i>)-6,6-Dimethyl-4,8-dioxo-2-phenylspiro[2.5]octane-1-carbaldehyde","","- C17 H18 O3 -","- C17 H18 O3 -","- C68 H72 O12 -","4","1","SU5275","Chelli, Saloua; Troshin, Konstantin; Lakhdar, Sami; Mayr, Herbert; Mayer, Peter","Crystal structure of (1<i>S</i>,2<i>R</i>)-6,6-dimethyl-4,8-dioxo-2-phenylspiro[2.5]octane-1-carbaldehyde","Acta Crystallographica Section E","2016","72","2","266","268","10.1107/S205698901600164X","","","0.71073","MoKα","","0.0511","0.0369","","","0.0791","0.085","","","","","","1.054","","","","has coordinates,has Fobs","175339","2020-10-21","18:00:00",""
"2241534","9.9754","0.0008","10.2139","0.0008","14.0294","0.0011","75.7386","0.0015","71.0062","0.0014","83.1264","0.0014","1308.73","0.18","297","","297","","","","","","","","","5","P -1","-P 1","2","","3-{5-[3-(4-Fluorophenyl)-1-isopropyl-1<i>H</i>-indol-2-yl]-1<i>H</i>-pyrazol-1-yl}indolin-2-one ethanol monosolvate","","- C30 H29 F N4 O2 -","- C30 H29 F N4 O2 -","- C60 H58 F2 N8 O4 -","2","1","PK2572","Rahman, Md. Lutfor; Kulkarni, Ajaykumar D.; Mohd. Yusoff, Mashitah; Kwong, Huey Chong; Quah, Ching Kheng","Crystal structure of 3-{5-[3-(4-fluorophenyl)-1-isopropyl-1<i>H</i>-indol-2-yl]-1<i>H</i>-pyrazol-1-yl}indolin-2-one ethanol monosolvate","Acta Crystallographica Section E","2016","72","3","283","286","10.1107/S2056989016001614","","","0.71073","MoKα","","0.0955","0.0569","","","0.1119","0.1304","","","","","","1.206","","","","has coordinates,has disorder,has Fobs","175689","2020-10-21","18:00:00",""
"2241535","9.611","0.0019","14.837","0.003","17.283","0.004","90","","94.93","0.03","90","","2455.4","0.9","243","2","243","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","<i>cis</i>-Aquabis(2,2'-bipyridine-κ^2^<i>N</i>,<i>N</i>')chloridochromium(III) tetrachloridozincate","","- C20 H18 Cl5 Cr N4 O Zn -","- C20 H18 Cl5 Cr N4 O Zn -","- C80 H72 Cl20 Cr4 N16 O4 Zn4 -","4","1","WM5266","Moon, Dohyun; Ryoo, Keon Sang; Choi, Jong-Ha","Crystal structure of <i>cis</i>-aquabis(2,2'-bipyridine-κ^2^<i>N</i>,<i>N</i>')chloridochromium(III) tetrachloridozincate determined from synchrotron data","Acta Crystallographica Section E","2016","72","3","280","282","10.1107/S2056989016001870","","","0.6","synchrotron","","0.0281","0.0267","","","0.0732","0.0737","","","","","","1.064","","","","has coordinates,has Fobs","175690","2020-10-21","18:00:00",""
"2241536","10.8454","0.0019","9.5675","0.0016","28.891","0.005","90","","92.886","0.003","90","","2994","0.9","298","","298","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","Chlorido(2,3-diphenyl-3,4,5,6-tetrahydro-2<i>H</i>-1,3-thiazin-4-one-κ<i>O</i>)triphenyltin","","- C34 H30 Cl N O S Sn -","- C34 H30 Cl N O S Sn -","- C136 H120 Cl4 N4 O4 S4 Sn4 -","4","1","BG2579","Yennawar, Hemant P.; Fox, Ryan; Silverberg, Lee J.","Crystal structure of the 1:1 adduct of 2,3-diphenyl-3,4,5,6-tetrahydro-2<i>H</i>-1,3-thiazin-4-one with triphenyltin chloride","Acta Crystallographica Section E","2016","72","3","276","279","10.1107/S2056989016001730","","","0.71073","MoKα","","0.0557","0.0479","","","0.1378","0.1435","","","","","","1.076","","","","has coordinates,has Fobs","175691","2020-10-21","18:00:00",""
"2241537","10.4277","0.0007","10.7014","0.0007","18.7154","0.0013","90","","90","","90","","2088.5","0.2","150","2","150","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","<i>meso</i>-2,6-Dibromoheptanedioic acid","","- C7 H10 Br2 O4 -","- C7 H10 Br2 O4 -","- C56 H80 Br16 O32 -","8","1","PK2573","Dirda, Nathaniel D. A.; Zavalij, Peter Y.; Kao, Joseph P. Y.","Crystal and molecular structure of <i>meso</i>-2,6-dibromoheptanedioic acid (<i>meso</i>-2,6-dibromopimelic acid)","Acta Crystallographica Section E","2016","72","3","322","324","10.1107/S2056989016001754","","","0.71073","MoKα","","0.0539","0.0359","","","0.0777","0.0841","","","","","","1.076","","","","has coordinates,has Fobs","176355","2020-10-21","18:00:00",""
"2241538","31.083","0.003","12.0766","0.001","14.7678","0.0012","90","","109.446","0.001","90","","5227.3","0.8","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Ethyl 3-amino-6-methyl-2-[(4-methylphenyl)carbamoyl]-4-[(<i>E</i>)-2-phenylethenyl]thieno[2,3-<i>b</i>]pyridine-5-carboxylate monohydrate","","- C27 H27 N3 O4 S -","- C27 H27 N3 O4 S -","- C216 H216 N24 O32 S8 -","8","1","RZ5183","Mague, Joel T.; Akkurt, Mehmet; Mohamed, Shaaban K.; Bakhite, Etify A.; Albayati, Mustafa R.","Crystal structure of ethyl 3-amino-6-methyl-2-[(4-methylphenyl)carbamoyl]-4-[(<i>E</i>)-2-phenylethenyl]thieno[2,3-<i>b</i>]pyridine-5-carboxylate monohydrate","Acta Crystallographica Section E","2016","72","3","297","299","10.1107/S2056989016001341","","","0.71073","MoKα","","0.0675","0.0465","","","0.1307","0.1401","","","","","","1.082","","","","has coordinates,has Fobs","176356","2020-10-21","18:00:00",""
"2241539","12.9681","0.0015","12.9681","0.0015","12.9681","0.0015","90","","90","","90","","2180.9","0.4","301","2","301","2","","","","","","","","5","I -4 3 d","I -4bd 2c 3","220","","Lithium gallium lanthanum zirconate","","- Ga0.52 La2.67 Li6.43 O12 Zr2 -","- Ga0.522 La2.667 Li6.43296 O12 Zr2 -","- Ga4.176 La21.336 Li51.4637 O96 Zr16 -","8","0.166667","WM5261","Robben, Lars; Merzlyakova, Elena; Heitjans, Paul; Gesing, Thorsten M.","Symmetry reduction due to gallium substitution in the garnet Li~6.43(2)~Ga~0.52(3)~La~2.67(4)~Zr~2~O~12~","Acta Crystallographica Section E","2016","72","3","287","289","10.1107/S2056989016001924","","","0.71073","MoKα","","0.027","0.0256","","","0.0556","0.056","","","","","","1.463","","","","has coordinates,has Fobs","176357","2020-10-21","18:00:00",""
"2241540","7.6343","0.0005","26.2356","0.0018","8.1332","0.0005","90","","112.725","0.002","90","","1502.54","0.17","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","2-[(9-Acetyl-9<i>H</i>-purin-6-yl)sulfanyl]-1-(3-methoxyphenyl)ethan-1-one","","- C16 H14 N4 O3 S -","- C16 H14 N4 O3 S -","- C64 H56 N16 O12 S4 -","4","1","HB7562","Gomes, Lígia R.; Low, John Nicolson; Magalhães e Silva, Diogo; Cagide, Fernando; Borges, Fernanda","Crystal structures of five 6-mercaptopurine derivatives","Acta Crystallographica Section E","2016","72","3","307","313","10.1107/S2056989016001833","","","0.71075","MoKα","","0.0646","0.0534","","","0.1383","0.1477","","","","","","1.048","","","","has coordinates,has Fobs","176358","2020-10-21","18:00:00",""
"2241541","5.992","0.0003","9.9795","0.0005","24.9907","0.0013","90","","95.977","0.005","90","","1486.25","0.13","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2-[(9-Acetyl-9<i>H</i>-purin-6-yl)sulfanyl]-1-(4-methoxyphenyl)ethan-1-one","","- C16 H14 N4 O3 S -","- C16 H14 N4 O3 S -","- C64 H56 N16 O12 S4 -","4","1","HB7562","Gomes, Lígia R.; Low, John Nicolson; Magalhães e Silva, Diogo; Cagide, Fernando; Borges, Fernanda","Crystal structures of five 6-mercaptopurine derivatives","Acta Crystallographica Section E","2016","72","3","307","313","10.1107/S2056989016001833","","","0.71073","MoKα","","0.0813","0.048","","","0.1016","0.116","","","","","","1.021","","","","has coordinates,has Fobs","176358","2020-10-21","18:00:00",""
"2241542","5.99","0.0004","9.9169","0.0007","24.3238","0.0017","90","","96.072","0.002","90","","1436.78","0.17","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","2-[(9-Acetyl-9<i>H</i>-purin-6-yl)sulfanyl]-1-(4-chlorophenyl)ethan-1-one","","- C15 H11 Cl N4 O2 S -","- C15 H11 Cl N4 O2 S -","- C60 H44 Cl4 N16 O8 S4 -","4","1","HB7562","Gomes, Lígia R.; Low, John Nicolson; Magalhães e Silva, Diogo; Cagide, Fernando; Borges, Fernanda","Crystal structures of five 6-mercaptopurine derivatives","Acta Crystallographica Section E","2016","72","3","307","313","10.1107/S2056989016001833","","","0.71075","MoKα","","0.0478","0.035","","","0.0854","0.0918","","","","","","1.024","","","","has coordinates,has Fobs","176358","2020-10-21","18:00:00",""
"2241543","6.0705","0.0004","10.0668","0.0007","24.3492","0.0017","90","","96.58","0.002","90","","1478.19","0.18","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","2-[(9-Acetyl-9<i>H</i>-purin-6-yl)sulfanyl]-1-(4-bromophenyl)ethan-1-one","","- C15 H11 Br N4 O2 S -","- C15 H11 Br N4 O2 S -","- C60 H44 Br4 N16 O8 S4 -","4","1","HB7562","Gomes, Lígia R.; Low, John Nicolson; Magalhães e Silva, Diogo; Cagide, Fernando; Borges, Fernanda","Crystal structures of five 6-mercaptopurine derivatives","Acta Crystallographica Section E","2016","72","3","307","313","10.1107/S2056989016001833","","","0.71075","MoKα","","0.0616","0.056","","","0.1473","0.1533","","","","","","1.059","","","","has coordinates,has Fobs","176358","2020-10-21","18:00:00",""
"2241544","7.6683","0.0005","21.8004","0.0015","8.4131","0.0005","90","","107.507","0.002","90","","1341.29","0.15","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","1-(3-Methoxyphenyl)-2-[(9<i>H</i>-purin-6-yl)sulfanyl]ethan-1-one","","- C14 H12 N4 O2 S -","- C14 H12 N4 O2 S -","- C56 H48 N16 O8 S4 -","4","1","HB7562","Gomes, Lígia R.; Low, John Nicolson; Magalhães e Silva, Diogo; Cagide, Fernando; Borges, Fernanda","Crystal structures of five 6-mercaptopurine derivatives","Acta Crystallographica Section E","2016","72","3","307","313","10.1107/S2056989016001833","","","0.71075","MoKα","","0.036","0.033","","","0.091","0.0934","","","","","","1.028","","","","has coordinates,has Fobs","176358","2020-10-21","18:00:00",""
"2241545","10.0235","0.0005","11.1997","0.0006","19.0655","0.0012","90","","100.429","0.006","90","","2104.9","0.2","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","2-[Chloro(4-methoxyphenyl)methyl]-2-(4-methoxyphenyl)-5,5-dimethylcyclohexane-1,3-dione","","- C23 H25 Cl O4 -","- C23 H25 Cl O4 -","- C92 H100 Cl4 O16 -","4","1","RZ5184","Chelli, Saloua; Troshin, Konstantin; Lakhdar, Sami; Mayr, Herbert; Mayer, Peter","Crystal structure of 2-[chloro(4-methoxyphenyl)methyl]-2-(4-methoxyphenyl)-5,5-dimethylcyclohexane-1,3-dione","Acta Crystallographica Section E","2016","72","3","300","303","10.1107/S2056989016002085","","","0.71069","MoKα","","0.0565","0.04","","","0.0909","0.102","","","","","","1.025","","","","has coordinates,has Fobs","176359","2020-10-21","18:00:00",""
"2241546","18.9744","0.0004","16.0269","0.0003","21.1146","0.0004","90","","100.808","0.001","90","","6307.1","0.2","173","2","173","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","<i>S</i>-Hexyl (<i>E</i>)-3-(2-hydroxybenzylidene)dithiocarbazate","","- C14 H20 N2 O S2 -","- C14 H20 N2 O S2 -","- C224 H320 N32 O16 S32 -","16","4","","Begum, M. S.; Howlader, M. B. H.; Sheikh, M. C.; Miyatake, R.; Zangrando, E.","Crystal structure of <i>S</i>-hexyl (<i>E</i>)-3-(2-hydroxybenzylidene)dithiocarbazate","Acta Crystallographica Section E","2016","72","3","290","292","10.1107/S2056989016001857","","","1.54187","CuKα","","0.0876","0.0646","","","0.1605","0.1756","","","","","","0.933","","","","has coordinates,has Fobs","176360","2020-10-21","18:00:00",""
"2241547","7.6492","0.0001","6.1262","0.0001","8.9241","0.0002","90","","112.195","0.001","90","","387.202","0.012","293","2","293","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","Brackebuschite","Dilead(II) manganese(III) vanadate(V) hydroxide","","- H Mn O9 Pb2 V2 -","- H Mn O9 Pb2 V2 -","- H2 Mn2 O18 Pb4 V4 -","2","0.5","WM5265","Lafuente, Barbara; Downs, Robert T.","Redetermination of brackebuschite, Pb~2~Mn^3+^(VO~4~)~2~(OH)","Acta Crystallographica Section E","2016","72","3","293","296","10.1107/S2056989016001948","","","0.71073","MoKα","","0.0303","0.0249","","","0.054","0.0562","","","","","","1.046","","","","has coordinates,has Fobs","176361","2020-10-21","18:00:00",""
"2241548","19.0095","0.0005","19.0095","0.0005","31.9862","0.001","90","","90","","120","","10010","0.5","110","","110","","","","","","","","","6","P -3","-P 3","147","","Bis[tetrakis(triphenylphosphane-κ<i>P</i>)silver(I)] (nitrilotriacetato-κ^4^<i>N</i>,<i>O</i>,<i>O</i>',<i>O</i>'')(triphenylphosphane-κ<i>P</i>)argentate(I) methanol monosolvate","","- C168 H141 Ag3 N O6 P9 -","- C168 H141 Ag3 N O6 P9 -","- C336 H282 Ag6 N2 O12 P18 -","2","0.333333","PK2571","Noll, Julian; Korb, Marcus; Lang, Heinrich","Crystal structure of bis[tetrakis(triphenylphosphane-κ<i>P</i>)silver(I)] (nitrilotriacetato-κ^4^<i>N</i>,<i>O</i>,<i>O</i>',<i>O</i>'')(triphenylphosphane-κ<i>P</i>)argentate(I) with an unknown amount of methanol as solvate","Acta Crystallographica Section E","2016","72","3","318","321","10.1107/S2056989016001262","","","0.71073","MoKα","","0.0969","0.0664","","","0.1849","0.1972","","","","","","1.048","","","","has coordinates,has Fobs","176362","2020-10-21","18:00:00",""
"2241549","5.5044","0.0002","12.6144","0.0004","21.6348","0.0009","90","","90","","90","","1502.21","0.1","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(3a<i>R</i>,5<i>S</i>,6<i>R</i>,6a<i>R</i>)-5-[(<i>R</i>)-2,2-Dimethyl-1,3-\ dioxolan-4-yl]-2,2-dimethyl-6-(nitromethyl)tetrahydrofuro[2,3-<i>d</i>][1,3]\ dioxole","","- C13 H21 N O7 -","- C13 H21 N O7 -","- C52 H84 N4 O28 -","4","1","SU5270","Lugiņina, Jevgeņija; Rjabovs, Vitālijs; Stepanovs, Dmitrijs","Crystal structure of 3-deoxy-3-nitromethyl-1,2;5,6-di-<i>O</i>-isopropylidene-α-<small>D</small>-allofuranose","Acta Crystallographica Section E","2016","72","3","314","317","10.1107/S2056989016001845","","","0.71073","MoKα","","0.1482","0.065","","","0.1045","0.1272","","","","","","1.012","","","","has coordinates,has Fobs","176363","2020-10-21","18:00:00",""
"2241550","9.7258","0.0009","19.3588","0.0009","9.6125","0.0002","90","","90","","90","","1809.84","0.19","150","2","150","2","","","","","","","","5","I m m a","-I 2b 2","74","mercury chalcohalide","Mercury antimony sulfide selenide iodide","","- Hg2.899 I1.908 S0.054 Sb0.101 Se2.038 -","- Hg2.899 I1.908 S0.057 Sb0.101 Se2.035 -","- Hg23.192 I15.264 S0.456 Sb0.808 Se16.28 -","8","0.5","VN2108","Kars, Mohammed; Herrero, Adrian Gómez; Roisnel, Thierry; Rebbah, Allaoua; Otero-Diáz, L. Carlos","Structure cristalline du composé Hg~3-<i>x~</i>Sb~<i>x~</i>(S+Se)~2+<i>x~</i>I~2-<i>x~</i> (<i>x</i> ≃0.1)","Acta Crystallographica Section E","2016","72","3","304","306","10.1107/S2056989016002127","","","0.71073","MoKα","","0.082","0.0478","","","0.0581","0.0637","","","","","","1.44","","","","has coordinates,has Fobs","176364","2020-10-21","18:00:00",""
"2241551","9.9388","0.0013","5.0999","0.0006","10.6755","0.0014","90","","94.136","0.004","90","","539.7","0.12","120","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","<i>N</i>-[(Methylsulfanyl)carbonyl]urea","","- C3 H6 N2 O2 S -","- C3 H6 N2 O2 S -","- C12 H24 N8 O8 S4 -","4","1","HB7563","Diop, Mouhamadou Birame; Diop, Libasse; Oliver, Allen G.","Crystal structure of <i>N</i>-[(methylsulfanyl)carbonyl]urea","Acta Crystallographica Section E","2016","72","3","325","327","10.1107/S2056989016002322","","","0.71073","MoKα","","0.035","0.0309","","","0.0811","0.0835","","","","","","1.085","","","","has coordinates,has Fobs","176410","2020-10-21","18:00:00",""
"2241552","10.8046","0.001","9.0459","0.0009","6.8108","0.0007","90","","96.71","0.002","90","","661.11","0.11","100","","100","","","","","","","","","4","C 1 2/m 1","-C 2y","12","","2,6-Diaminopyridin-1-ium chloride","","- C5 H8 Cl N3 -","- C5 H8 Cl N3 -","- C20 H32 Cl4 N12 -","4","0.5","HB7564","Mastalir, Matthias; Schroffenegger, Martina; Stöger, Berthold; Weil, Matthias; Kirchner, Karl","Crystal structure of 2,6-diaminopyridinium chloride","Acta Crystallographica Section E","2016","72","3","331","333","10.1107/S2056989016002425","","","0.71073","MoKα","","0.0268","0.0244","","","0.038","0.0384","","","","","","2.24","","","","has coordinates,has Fobs","176411","2020-10-21","18:00:00",""
"2241553","28.58","0.0014","4.0632","0.0002","14.4806","0.0007","90","","115.1","0.001","90","","1522.78","0.13","105","2","105","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","Dimethyl 4,4'-dimethoxybiphenyl-3,3'-dicarboxylate","","- C18 H18 O6 -","- C18 H18 O6 -","- C72 H72 O24 -","4","0.5","","Lundvall, Fredrik; Dietzel, Pascal D. C.; Fjellvåg, Helmer","Crystal structure of dimethyl 4,4'-dimethoxybiphenyl-3,3'-dicarboxylate","Acta Crystallographica Section E","2016","72","3","328","330","10.1107/S2056989016002449","","","0.71073","MoKα","","0.043","0.0376","","","0.1047","0.1091","","","","","","1.099","","","","has coordinates,has Fobs","176412","2020-10-21","18:00:00",""
"2241554","10.5556","0.0003","11.0236","0.0003","15.5261","0.0005","75.9922","0.0008","71.9673","0.0007","65.5889","0.0007","1550.67","0.08","173","","173","","","","","","","","","5","P -1","-P 1","2","1,2-Bis((benzylsulfanyl){2-[1-(2-hydroxyphenyl)ethylidene]hydrazin-1-ylidene}methyl)disulfane","2-[1-(2-{(Benzylsulfanyl)[((benzylsulfanyl){2-[1-(2-hydroxyphenyl)ethylidene]hydrazin-1-ylidene}methyl)disulfanyl]methylidene}hydrazin-1-ylidene)ethyl]phenol","","- C32 H30 N4 O2 S4 -","- C32 H30 N4 O2 S4 -","- C64 H60 N8 O4 S8 -","2","1","","Islam, M. A. A. A. A.; Sheikh, M. C.; Islam, M. H.; Miyatake, R.; Zangrando, E.","Crystal structure of 1,2-bis((benzylsulfanyl){2-[1-(2-hydroxyphenyl)ethylidene]hydrazin-1-ylidene}methyl)disulfane","Acta Crystallographica Section E","2016","72","3","337","339","10.1107/S2056989016002371","","","0.71075","MoKα","","","0.0342","","","","0.093","","","","","","1.09","","","","has coordinates,has Fobs","176674","2020-10-21","18:00:00",""
"2241555","8.5519","0.0002","18.9335","0.0004","8.9165","0.0003","90","","110.203","0.003","90","","1354.91","0.07","180","2","180","2","","","","","","","","5","P 1 21 1","P 2yb","4","","2-[(3a<i>S</i>,6<i>R</i>)-3,3,6-Trimethyl-3,3a,4,5,6,7-hexahydro-2<i>H</i>-indazol-2-yl]thiazol-4(5<i>H</i>)-one","","- C13 H19 N3 O S -","- C13 H19 N3 O S -","- C52 H76 N12 O4 S4 -","4","2","SU5277","Ousidi, Abdellah N'ait; Itto, My Youssef Ait; Auhmani, Aziz; Riahi, Abdelkhalek; Daran, Jean-Claude; Abdelwahed, Auhmani","Crystal structure of 2-[(3a<i>S</i>,6<i>R</i>)-3,3,6-trimethyl-3,3a,4,5,6,7-hexahydro-2<i>H</i>-indazol-2-yl]thiazol-4(5<i>H</i>)-one","Acta Crystallographica Section E","2016","72","3","334","336","10.1107/S2056989016002498","","","0.71073","MoKα","","0.0378","0.0329","","","0.0743","0.0774","","","","","","1.044","","","","has coordinates,has Fobs","176675","2020-10-21","18:00:00",""
"2241556","7.1529","0.0001","29.5703","0.0005","9.6309","0.0002","90","","105.572","0.001","90","","1962.29","0.06","170","2","170","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","<i>fac</i>-Tricarbonyl(cyclohexyl isocyanide-κ<i>C</i>)(quinoline-2-carboxylato-κ^2^<i>N</i>,<i>O</i>)rhenium(I)","","- C20 H17 N2 O5 Re -","- C20 H17 N2 O5 Re -","- C80 H68 N8 O20 Re4 -","4","1","WM5257","Triantis, Charalampos; Shegani, Antonio; Kiritsis, Christos; Raptopoulou, Catherine; Psycharis, Vassilis; Pelecanou, Maria; Pirmettis, Ioannis; Papadopoulos, Minas","Crystal structure of <i>fac</i>-tricarbonyl(cyclohexyl isocyanide-κ<i>C</i>)(quinoline-2-carboxylato-κ^2^<i>N</i>,<i>O</i>)rhenium(I)","Acta Crystallographica Section E","2016","72","3","358","362","10.1107/S2056989016002206","","","1.54178","CuKα","","0.0458","0.0384","","","0.0894","0.102","","","","","","1.174","","","","has coordinates,has Fobs","176676","2020-10-21","18:00:00",""
"2241557","20.1391","0.0013","7.0651","0.0005","13.4942","0.0009","90","","106.582","0.002","90","","1840.2","0.2","110","","110","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Bis(2-methyl-1<i>H</i>-imidazol-3-ium) dihydroxidobis(oxalato-κ^2^<i>O</i>^1^,<i>O</i>^2^)stannate(IV) monohydrate","","- C12 H18 N4 O11 Sn -","- C12 H18 N4 O11 Sn -","- C48 H72 N16 O44 Sn4 -","4","1","WM5268","Diop, Mouhamadou Birame; Diop, Libasse; Plasseraud, Laurent; Maris, Thierry","Crystal structure of bis(2-methyl-1<i>H</i>-imidazol-3-ium) dihydroxidobis(oxalato-κ^2^<i>O</i>^1^,<i>O</i>^2^)stannate(IV) monohydrate","Acta Crystallographica Section E","2016","72","3","355","357","10.1107/S2056989016002061","","","1.34139","GaKα","","0.0403","0.0396","","","0.1004","0.101","","","","","","1.072","","","","has coordinates,has Fobs","176677","2020-10-21","18:00:00",""
"2241558","13.5605","0.0018","4.7386","0.0003","14.14","0.002","90","","118.181","0.019","90","","800.9","0.2","120","2","120","2","","","","","","","","4","P 1 21 1","P 2yb","4","","<i>N</i>-(2-Acetamido-2-deoxy-β-<i>D</i>-glucopyranosyl)-<i>N</i>-(3-azidopropyl)-<i>O</i>-methylhydroxylamine","","- C12 H23 N5 O6 -","- C12 H23 N5 O6 -","- C24 H46 N10 O12 -","2","1","LH5798","Munneke, Stefan; Stocker, Bridget L.; Timmer, Mattie S. M.; Gainsford, Graeme J.","<i>N</i>-(2-Acetamido-2-deoxy-β-<small>D</small>-glucopyranosyl)-<i>N</i>-(3-azidopropyl)-<i>O</i>-methylhydroxylamine","Acta Crystallographica Section E","2016","72","3","340","342","10.1107/S2056989016002164","","","1.54184","CuKα","","0.0656","0.0594","","","0.1573","0.1648","","","","","","1.028","","","","has coordinates,has Fobs","176678","2020-10-21","18:00:00",""
"2241559","5.9093","0.0004","7.6258","0.0005","12.657","0.0008","87.802","0.005","78.329","0.005","87.427","0.005","557.76","0.06","298","2","298","2","","","","","","","","4","P 1","P 1","1","","2,5-Bis[(<i>S</i>)-(+)-(1,2,3,4-tetrahydro-1-naphthyl)imino]thiophene","","- C26 H26 N2 S -","- C26 H26 N2 S -","- C26 H26 N2 S -","1","1","SJ5495","Hernández-Téllez, Guadalupe; Bernès, Sylvain; Mendoza, Angel; Ríos-Merino, Francisco Javier; Moreno, Gloria E.; Portillo, Oscar; Gutiérrez, René","Crystal structures of four chiral imine-substituted thiophene derivatives","Acta Crystallographica Section E","2016","72","3","350","354","10.1107/S2056989016002516","","","0.71073","MoKα","","0.0859","0.0576","","","0.1104","0.1265","","","","","","1.022","","","","has coordinates,has Fobs","176679","2020-10-21","18:00:00",""
"2241560","25.3917","0.0013","5.9488","0.0003","7.5623","0.0004","90","","97.174","0.004","90","","1133.34","0.1","298","2","298","2","","","","","","","","5","C 1 2 1","C 2y","5","","2,5-Bis{[(<i>R</i>)-(-)-1-(4-methoxyphenyl)ethyl]iminomethyl}thiophene","","- C24 H26 N2 O2 S -","- C24 H26 N2 O2 S -","- C48 H52 N4 O4 S2 -","2","0.5","SJ5495","Hernández-Téllez, Guadalupe; Bernès, Sylvain; Mendoza, Angel; Ríos-Merino, Francisco Javier; Moreno, Gloria E.; Portillo, Oscar; Gutiérrez, René","Crystal structures of four chiral imine-substituted thiophene derivatives","Acta Crystallographica Section E","2016","72","3","350","354","10.1107/S2056989016002516","","","0.71073","MoKα","","0.0487","0.0363","","","0.0768","0.0845","","","","","","1.02","","","","has coordinates,has Fobs","176679","2020-10-21","18:00:00",""
"2241561","21.1153","0.0016","7.7846","0.0006","6.1343","0.0005","90","","90","","90","","1008.32","0.14","298","2","298","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","2,5-Bis{[(<i>R</i>)-(-)-1-(4-fluorophenyl)ethyl]iminomethyl}thiophene","","- C22 H20 F2 N2 S -","- C22 H20 F2 N2 S -","- C44 H40 F4 N4 S2 -","2","0.5","SJ5495","Hernández-Téllez, Guadalupe; Bernès, Sylvain; Mendoza, Angel; Ríos-Merino, Francisco Javier; Moreno, Gloria E.; Portillo, Oscar; Gutiérrez, René","Crystal structures of four chiral imine-substituted thiophene derivatives","Acta Crystallographica Section E","2016","72","3","350","354","10.1107/S2056989016002516","","","0.71073","MoKα","","0.0704","0.0439","","","0.082","0.0918","","","","","","1.061","","","","has coordinates,has Fobs","176679","2020-10-21","18:00:00",""
"2241562","21.893","0.002","7.9212","0.0006","6.2315","0.0004","90","","90","","90","","1080.66","0.15","298","2","298","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","2,5-Bis{[(<i>S</i>)-(+)-1-(4-chlorophenyl)ethyl]iminomethyl}thiophene","","- C22 H20 Cl2 N2 S -","- C22 H20 Cl2 N2 S -","- C44 H40 Cl4 N4 S2 -","2","0.5","SJ5495","Hernández-Téllez, Guadalupe; Bernès, Sylvain; Mendoza, Angel; Ríos-Merino, Francisco Javier; Moreno, Gloria E.; Portillo, Oscar; Gutiérrez, René","Crystal structures of four chiral imine-substituted thiophene derivatives","Acta Crystallographica Section E","2016","72","3","350","354","10.1107/S2056989016002516","","","0.71073","MoKα","","0.1207","0.0517","","","0.0928","0.1173","","","","","","1.011","","","","has coordinates,has Fobs","176679","2020-10-21","18:00:00",""
"2241563","14.8821","0.0009","5.5847","0.0003","17.2971","0.0014","90","","105.847","0.002","90","","1382.96","0.16","90","","90","","","","","","","","","5","I 1 2 1","I 2y","5","","(+)-Methyl (<i>E</i>)-3-[(2<i>S</i>,4<i>S</i>,5<i>R</i>)-2-amino-5-(hydroxymethyl)-2-trichloromethyl-1,3-dioxolan-4-yl]-2-methylprop-2-enoate","","- C10 H14 Cl3 N O5 -","- C10 H14 Cl3 N O5 -","- C40 H56 Cl12 N4 O20 -","4","1","IS5442","Oishi, Takeshi; Yasushima, Daichi; Yuasa, Kihiro; Sato, Takaaki; Chida, Noritaka","Crystal structure of (+)-methyl (<i>E</i>)-3-[(2<i>S</i>,4<i>S</i>,5<i>R</i>)-2-amino-5-hydroxymethyl-2-trichloromethyl-1,3-dioxolan-4-yl]-2-methylprop-2-enoate","Acta Crystallographica Section E","2016","72","3","343","346","10.1107/S2056989016002474","","","0.71073","MoKα","","0.0269","0.0233","","","0.0502","0.0521","","","","","","1.029","","","","has coordinates,has disorder,has Fobs","176680","2020-10-21","18:00:00",""
"2241564","5.0968","0.0005","13.8189","0.0015","14.6993","0.0017","71.484","0.005","84.018","0.005","82.531","0.005","971.2","0.18","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","Ethyl 2-[2-(4-methylbenzoyl)-5-<i>p</i>-tolyl-1<i>H</i>-imidazol-1-yl]acetate","","- C22 H22 N2 O3 -","- C22 H22 N2 O3 -","- C44 H44 N4 O6 -","2","1","SJ5493","Prabha, E. Arockia Jeya Yasmi; Kumar, S. Suresh; Padala, Anil K.; Ahmed, Qazi Naveed; Athimoolam, S.","Crystal structure of ethyl 2-[2-(4-methylbenzoyl)-5-<i>p</i>-tolyl-1<i>H</i>-imidazol-1-yl]acetate","Acta Crystallographica Section E","2016","72","3","347","349","10.1107/S2056989016002504","","","0.71073","MoKα","","0.0857","0.0539","","","0.1352","0.1675","","","","","","1.067","","","","has coordinates,has disorder,has Fobs","176681","2020-10-21","18:00:00",""
"2241565","10.8355","0.0002","10.8865","0.0002","14.5653","0.0002","90","","106.481","0.002","90","","1647.54","0.05","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","5-Chloromethyl-<i>N</i>-methyl-4-[(4-phenyl-1,2,3-triazol-1-yl)methyl]isoxazolidine-3-carboxamide","","- C15 H18 Cl N5 O2 -","- C15 H18 Cl N5 O2 -","- C60 H72 Cl4 N20 O8 -","4","2","SU5281","Brahmi, Jihed; Nasri, Soumaya; Aouadi, Kaïss; Jeanneau, Erwann; Vidal, Sébastien; Msaddek, Moncef","Crystal structure of 5-chloromethyl-<i>N</i>-methyl-4-[(4-phenyl-1,2,3-triazol-1-yl)methyl]isoxazolidine-3-carboxamide","Acta Crystallographica Section E","2016","72","3","378","381","10.1107/S2056989016002784","","","1.54178","CuKα","","0.0392","0.0364","","","0.094","0.0977","","","","","","1.025","","","","has coordinates,has Fobs","176801","2020-10-21","18:00:00",""
"2241566","25.1891","0.001","5.8729","0.0002","15.508","0.0006","90","","90.124","0.003","90","","2294.14","0.15","200","2","200","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","<i>catena</i>-Poly[[[bis(pyridine-4-carbothioamide-κ<i>N</i>^1^)cadmium]-di-μ-thiocyanato-κ^2^<i>N</i>:<i>S</i>;κ^2^<i>S</i>:<i>N</i>] methanol disolvate]","","- C32 H40 Cd2 N12 O4 S8 -","- C32 H40 Cd2 N12 O4 S8 -","- C64 H80 Cd4 N24 O8 S16 -","2","0.25","","Neumann, Tristan; Jess, Inke; Näther, Christian","Crystal structure of <i>catena</i>-poly[[[bis(pyridine-4-carbothioamide-κ<i>N</i>^1^)cadmium]-di-μ-thiocyanato-κ^2^<i>N</i>:<i>S</i>;κ^2^<i>S</i>:<i>N</i>] methanol disolvate]","Acta Crystallographica Section E","2016","72","3","370","373","10.1107/S2056989016002632","","","0.71073","MoKα","","0.0311","0.0255","","","0.0653","0.0669","","","","","","1.063","","","","has coordinates,has disorder,has Fobs","176802","2020-10-21","18:00:00",""
"2241567","7.4136","0.0005","7.507","0.0005","10.9519","0.0008","101.274","0.007","92.218","0.006","97.893","0.007","590.74","0.07","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","1-(2-Phenyl-1<i>H</i>-indol-3-yl)ethanone","","- C16 H13 N O -","- C16 H13 N O -","- C32 H26 N2 O2 -","2","1","XU5883","Kerr, Jamie R.; Trembleau, Laurent; Storey, John M. D.; Wardell, James L.; Harrison, William T. A.","Crystal structures of four indole derivatives with a phenyl substituent at the 2-position and a carbonyl group at the 3-position: the <i>C</i>(6) N—H···O chain remains the same, but the weak reinforcing interactions are different","Acta Crystallographica Section E","2016","72","3","363","369","10.1107/S2056989016002620","","","0.71075","MoKα","","0.0436","0.0401","","","0.1116","0.1141","","","","","","1.071","","","","has coordinates,has Fobs","176803","2020-10-21","18:00:00",""
"2241568","7.3587","0.0005","13.225","0.001","17.5445","0.0013","90","","90","","90","","1707.4","0.2","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","2-Cyclohexyl-1-(2-phenyl-1<i>H</i>-indol-3-yl)ethanone","","- C22 H23 N O -","- C22 H23 N O -","- C88 H92 N4 O4 -","4","1","XU5883","Kerr, Jamie R.; Trembleau, Laurent; Storey, John M. D.; Wardell, James L.; Harrison, William T. A.","Crystal structures of four indole derivatives with a phenyl substituent at the 2-position and a carbonyl group at the 3-position: the <i>C</i>(6) N—H···O chain remains the same, but the weak reinforcing interactions are different","Acta Crystallographica Section E","2016","72","3","363","369","10.1107/S2056989016002620","","","0.71075","MoKα","","0.0793","0.0511","","","0.089","0.0995","","","","","","1.205","","","","has coordinates,has Fobs","176803","2020-10-21","18:00:00",""
"2241569","23.3305","0.0016","23.3305","0.0016","15.3681","0.0011","90","","90","","120","","7244.3","0.9","100","2","100","2","","","","","","","","4","R -3 :H","-R 3","148","","3,3-Dimethyl-1-(2-phenyl-1<i>H</i>-indol-3-yl)butan-1-one","","- C20 H21 N O -","- C20 H21 N O -","- C360 H378 N18 O18 -","18","1","XU5883","Kerr, Jamie R.; Trembleau, Laurent; Storey, John M. D.; Wardell, James L.; Harrison, William T. A.","Crystal structures of four indole derivatives with a phenyl substituent at the 2-position and a carbonyl group at the 3-position: the <i>C</i>(6) N—H···O chain remains the same, but the weak reinforcing interactions are different","Acta Crystallographica Section E","2016","72","3","363","369","10.1107/S2056989016002620","","","0.71073","MoKα","","0.0449","0.0355","","","0.0884","0.0917","","","","","","1.078","","","","has coordinates,has Fobs","176803","2020-10-21","18:00:00",""
"2241570","14.5065","0.001","11.7911","0.0009","18.6961","0.0013","90","","107.782","0.002","90","","3045.1","0.4","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","3-Benzoyl-2-phenyl-1<i>H</i>-indole","","- C21 H15 N O -","- C21 H15 N O -","- C168 H120 N8 O8 -","8","2","XU5883","Kerr, Jamie R.; Trembleau, Laurent; Storey, John M. D.; Wardell, James L.; Harrison, William T. A.","Crystal structures of four indole derivatives with a phenyl substituent at the 2-position and a carbonyl group at the 3-position: the <i>C</i>(6) N—H···O chain remains the same, but the weak reinforcing interactions are different","Acta Crystallographica Section E","2016","72","3","363","369","10.1107/S2056989016002620","","","0.71073","MoKα","","0.1179","0.0761","","","0.1896","0.2154","","","","","","1.045","","","","has coordinates,has Fobs","176803","2020-10-21","18:00:00",""
"2241571","8.0986","0.0004","12.9213","0.0006","13.7344","0.0007","90","","90","","90","","1437.23","0.12","200","2","200","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","1-Aza-8-azoniabicyclo[5.4.0]undec-7-ene 4-aminobenzoate","","- C16 H23 N3 O2 -","- C16 H23 N3 O2 -","- C64 H92 N12 O8 -","4","1","PK2574","Smith, Graham; Lynch, Daniel E.","Crystal structures of three anhydrous salts of the Lewis base 1,8-diazabicyclo[5.4.0]undec-7-ene (DBU) with the ring-substituted benzoic acid analogues 4-aminobenzoic acid, 3,5-dinitrobenzoic acid and 3,5-dinitrosalicylic acid","Acta Crystallographica Section E","2016","72","3","382","386","10.1107/S205698901600267X","","","0.71073","MoKα","","0.055","0.0436","","","0.0887","0.0977","","","","","","1.067","","","","has coordinates,has Fobs","176804","2020-10-21","18:00:00",""
"2241572","6.0197","0.0004","19.6228","0.0013","14.3866","0.0008","90","","98.078","0.005","90","","1682.53","0.18","200","1","200","1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Aza-8-azoniabicyclo[5.4.0]undec-7-ene 3,5-dinitrobenzoate","","- C16 H20 N4 O6 -","- C16 H20 N4 O6 -","- C64 H80 N16 O24 -","4","1","PK2574","Smith, Graham; Lynch, Daniel E.","Crystal structures of three anhydrous salts of the Lewis base 1,8-diazabicyclo[5.4.0]undec-7-ene (DBU) with the ring-substituted benzoic acid analogues 4-aminobenzoic acid, 3,5-dinitrobenzoic acid and 3,5-dinitrosalicylic acid","Acta Crystallographica Section E","2016","72","3","382","386","10.1107/S205698901600267X","","","0.71073","MoKα","","0.0621","0.0447","","","0.0989","0.1093","","","","","","1.015","","","","has coordinates,has disorder,has Fobs","176804","2020-10-21","18:00:00",""
"2241573","6.1537","0.0003","19.1541","0.0014","14.5527","0.0011","90","","98.343","0.006","90","","1697.2","0.2","200","1","200","1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","1-Aza-8-azoniabicyclo[5.4.0]undec-7-ene 2-hydroxy-3,5-dinitrobenzoate","","- C16 H20 N4 O7 -","- C16 H20 N4 O7 -","- C64 H80 N16 O28 -","4","1","PK2574","Smith, Graham; Lynch, Daniel E.","Crystal structures of three anhydrous salts of the Lewis base 1,8-diazabicyclo[5.4.0]undec-7-ene (DBU) with the ring-substituted benzoic acid analogues 4-aminobenzoic acid, 3,5-dinitrobenzoic acid and 3,5-dinitrosalicylic acid","Acta Crystallographica Section E","2016","72","3","382","386","10.1107/S205698901600267X","","","0.71073","MoKα","","0.0899","0.0576","","","0.1086","0.1227","","","","","","1.027","","","","has coordinates,has disorder,has Fobs","176804","2020-10-21","18:00:00",""
"2241574","12.0252","0.0013","14.3481","0.0015","15.3502","0.0011","90","","128.98","0.005","90","","2058.9","0.4","131","2","131","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Diaquatris(1-ethyl-1<i>H</i>-imidazole-κ<i>N</i>^3^)(sulfato-κ<i>O</i>)nickel(II)","","- C15 H28 N6 Ni O6 S -","- C15 H28 N6 Ni O6 S -","- C60 H112 N24 Ni4 O24 S4 -","4","1","LH5802","Holczbauer, Tamas; Domjan, Attila; Fodor, Csaba","Crystal structure of diaquatris(1-ethyl-1<i>H</i>-imidazole-κ<i>N</i>^3^)(sulfato-κ<i>O</i>)nickel(II)","Acta Crystallographica Section E","2016","72","3","374","377","10.1107/S2056989016002863","","","0.71075","MoKα","","0.0372","0.0327","","","0.0788","0.0848","","","","","","1.073","","","","has coordinates,has disorder,has Fobs","176805","2020-10-21","18:00:00",""
"2241575","10.8861","0.0004","11.4899","0.0004","11.9171","0.0004","83.83","0.01","65.253","0.008","86.397","0.01","1345.6","0.12","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","5''-Benzylidene-1'-methyl-4'-phenyltrispiro[acenaphthylene-1,2'-pyrrolidine-3',1''-cyclohexane-3'',2'''-[1,3]dioxane]-2,6''-dione","","- C36 H31 N O4 -","- C36 H31 N O4 -","- C72 H62 N2 O8 -","2","1","RZ5182","Chandralekha, Kuppan; Gavaskar, Deivasigamani; Sureshbabu, Adukamparai Rajukrishnan; Lakshmi, Srinivasakannan","Crystal structure of 5''-benzylidene-1'-methyl-4'-phenyltrispiro[acenaphthylene-1,2'-pyrrolidine-3',1''-cyclohexane-3'',2'''-[1,3]dioxane]-2,6''-dione","Acta Crystallographica Section E","2016","72","3","387","390","10.1107/S2056989016002875","","","0.71073","MoKα","","0.0613","0.0381","","","0.0991","0.1217","","","","","","1.092","","","","has coordinates,has Fobs","176806","2020-10-21","18:00:00",""
"2241576","6.8948","0.0005","9.7219","0.0005","9.9621","0.0007","82.971","0.005","81.638","0.006","85.686","0.005","654.58","0.08","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","2-Methylbenzoic acid‒\ <i>N</i>,<i>N</i>'-bis(pyridin-4-ylmethyl)ethanediamide (2/1)","","- C30 H30 N4 O6 -","- C30 H30 N4 O6 -","- C30 H30 N4 O6 -","1","0.5","HB7566","Syed, Sabrina; Jotani, Mukesh M.; Halim, Siti Nadiah Abdul; Tiekink, Edward R. T.","A 2:1 co-crystal of 2-methylbenzoic acid and <i>N</i>,<i>N</i>'-bis(pyridin-4-ylmethyl)ethanediamide: crystal structure and Hirshfeld surface analysis","Acta Crystallographica Section E","2016","72","3","391","398","10.1107/S2056989016002735","","","0.71073","MoKα","","0.0577","0.0406","","","0.0942","0.106","","","","","","1.059","","","","has coordinates,has Fobs","176807","2020-10-21","18:00:00",""
"2241577","12.114","0.003","10.656","0.003","34.043","0.009","90","","90","","90","","4395","2","100","","100","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","Tetraethylammonium tribromido(2-methyl-1,3-benzothiazole-κ<i>N</i>)platinate(II)","","- C16 H27 Br3 N2 Pt S -","- C16 H27 Br3 N2 Pt S -","- C128 H216 Br24 N16 Pt8 S8 -","8","1","BG2580","Carmona-Negrón, José A.; Cádiz, Mayra E.; Moore, Curtis E.; Rheingold, Arnold L.; Meléndez, Enrique","New platinum(II) complexes with benzothiazole ligands","Acta Crystallographica Section E","2016","72","3","412","416","10.1107/S2056989016002826","","","0.71073","MoKα","","0.0412","0.0314","","","0.0758","0.081","","","","","","1.033","","","","has coordinates,has Fobs","176875","2020-10-21","18:00:00",""
"2241578","7.7591","0.0002","30.4214","0.0008","9.6551","0.0003","90","","94.539","0.001","90","","2271.87","0.11","100","","100","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","Tetraethylammonium tribromido(6-methoxy-2-methyl-1,3-benzothiazole-κ<i>N</i>)platinate(II)","","- C17 H29 Br3 N2 O Pt S -","- C17 H29 Br3 N2 O Pt S -","- C68 H116 Br12 N8 O4 Pt4 S4 -","4","1","","Carmona-Negrón, José A.; Cádiz, Mayra E.; Moore, Curtis E.; Rheingold, Arnold L.; Meléndez, Enrique","New platinum(II) complexes with benzothiazole ligands","Acta Crystallographica Section E","2016","72","3","412","416","10.1107/S2056989016002826","","","0.71073","MoKα","","0.0289","0.0266","","","0.0653","0.0663","","","","","","1.078","","","","has coordinates,has Fobs","176875","2020-10-21","18:00:00",""
"2241579","7.9742","0.0004","30.2807","0.0014","9.6427","0.0005","90","","100.151","0.003","90","","2291.9","0.2","100","","100","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Tetraethylammonium tribromido(2,5,6-trimethyl-1,3-benzothiazole-κ<i>N</i>)platinate(II)","","- C18 H31 Br3 N2 Pt S -","- C18 H31 Br3 N2 Pt S -","- C72 H124 Br12 N8 Pt4 S4 -","4","1","","Carmona-Negrón, José A.; Cádiz, Mayra E.; Moore, Curtis E.; Rheingold, Arnold L.; Meléndez, Enrique","New platinum(II) complexes with benzothiazole ligands","Acta Crystallographica Section E","2016","72","3","412","416","10.1107/S2056989016002826","","","0.71073","MoKα","","0.0454","0.0392","","","0.1017","0.1055","","","","","","1.052","","","","has coordinates,has disorder,has Fobs","176875","2020-10-21","18:00:00",""
"2241580","8.117","0.0003","29.2717","0.0012","9.5102","0.0004","90","","100.72","0.001","90","","2220.17","0.15","100","","100","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","Tetraethylammonium tribromido(2-methyl-5-nitro-1,3-benzothiazole-κ<i>N</i>)platinate(II)","","- C16 H26 Br3 N3 O2 Pt S -","- C16 H26 Br3 N3 O2 Pt S -","- C64 H104 Br12 N12 O8 Pt4 S4 -","4","1","","Carmona-Negrón, José A.; Cádiz, Mayra E.; Moore, Curtis E.; Rheingold, Arnold L.; Meléndez, Enrique","New platinum(II) complexes with benzothiazole ligands","Acta Crystallographica Section E","2016","72","3","412","416","10.1107/S2056989016002826","","","0.71073","MoKα","","0.032","0.0288","","","0.0592","0.0602","","","","","","1.176","","","","has coordinates,has Fobs","176875","2020-10-21","18:00:00",""
"2241581","8.8574","0.0005","8.8833","0.0006","11.2391","0.0007","73.0839","0.0016","87.4301","0.0016","79.9801","0.0016","833.14","0.09","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","Dichloridobis(dimethyl <i>N</i>-cyanodithioiminocarbonate)zinc","","- C8 H12 Cl2 N4 S4 Zn -","- C8 H12 Cl2 N4 S4 Zn -","- C16 H24 Cl4 N8 S8 Zn2 -","2","1","IS5443","Diop, Mouhamadou Birame; Diop, Libasse; Oliver, Allen G.","Crystal structure of dichloridobis(dimethyl <i>N</i>-cyanodithioiminocarbonate)zinc","Acta Crystallographica Section E","2016","72","3","417","419","10.1107/S2056989016002607","","","0.71073","MoKα","","0.0271","0.0249","","","0.0611","0.0624","","","","","","1.157","","","","has coordinates,has Fobs","176876","2020-10-21","18:00:00",""
"2241582","10.934","0.002","11.088","0.002","12.402","0.002","102.873","0.003","106.083","0.003","95.548","0.003","1388.1","0.4","173","1","173","2","","","","","","","","4","P -1","-P 1","2","","Bis(benzyltrimethylazanium) bis[(4<i>SR</i>,12<i>SR</i>,18<i>RS</i>,26<i>RS</i>)-4,18,26-trihydroxy-12-oxido-13,17-dioxaheptacyclo[14.10.0.0^3,14^.0^4,12^.0^6,11^.0^18,26^.0^19,24^]hexacosa-1,3(14),6,8,10,15,19,21,23-nonaene-5,25-dione] sesquihydrate","","- C68 H61 N2 O17.5 -","- C68 H61 N2 O17.5 -","- C68 H61 N2 O17.5 -","1","0.5","","Bengiat, Ravell; Gil, Maayan; Klein, Asne; Bogoslavsky, Benny; Cohen, Shmuel; Almog, Joseph","Bis(benzyltrimethylammonium) bis[(4<i>SR</i>,12<i>SR</i>,18<i>RS</i>,26<i>RS</i>)-4,18,26-trihydroxy-12-oxido-13,17-dioxaheptacyclo[14.10.0.0^3,14^.0^4,12^.0^6,11^.0^18,26^.0^19,24^]hexacosa-1,3(14),6,8,10,15,19,21,23-nonaene-5,25-dione] sesquihydrate: dimeric structure formation <i>via</i> [O—H—O]^{-^} <i>negative charge-assisted hydrogen bonds ({‒</i>CAHB)} with benzyltrimethylammonium counter-ions","Acta Crystallographica Section E","2016","72","3","399","402","10.1107/S2056989016002899","","","0.71073","MoKα","","0.0584","0.0446","","","0.103","0.1078","","","","","","0.986","","","","has coordinates,has Fobs","176877","2020-10-21","18:00:00",""
"2241583","14.6953","0.0006","9.7043","0.0003","12.1311","0.0004","90","","98.513","0.004","90","","1710.93","0.11","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Bis(triethanolamine-κ^3^<i>N</i>,<i>O</i>,<i>O</i>')cobalt(II) bis[2-(2-oxo-2,3-dihydro-1,3-benzothiazol-3-yl)acetate]","","- C30 H42 Co N4 O12 S2 -","- C30 H42 Co N4 O12 S2 -","- C60 H84 Co2 N8 O24 S4 -","2","0.5","PJ2027","Ashurov, Jamshid M.; Obidova, Nodira J.; Abdireymov, Hudaybergen B.; Ibragimov, Bakhtiyar T.","Crystal structure of the salt bis(triethanolamine-κ^3^<i>N</i>,<i>O</i>,<i>O</i>')cobalt(II) bis[2-(2-oxo-2,3-dihydro-1,3-benzothiazol-3-yl)acetate]","Acta Crystallographica Section E","2016","72","3","420","423","10.1107/S2056989016002930","","","1.54184","CuKα","","0.0777","0.0605","","","0.1563","0.1748","","","","","","1.027","","","","has coordinates,has Fobs","176879","2020-10-21","18:00:00",""
"2241584","6.473","0.0013","11.449","0.002","10.385","0.002","90","","102.42","0.03","90","","751.6","0.3","243","2","243","2","","","","","","","","6","P 1 n 1","P -2yac","7","","<i>trans</i>-Dichlorido(1,4,8,11-tetraazaundecane-κ^4^<i>N</i>)chromium(III) perchlorate","","- C7 H20 Cl3 Cr N4 O4 -","- C7 H20 Cl3 Cr N4 O4 -","- C14 H40 Cl6 Cr2 N8 O8 -","2","1","WM5269","Moon, Dohyun; Choi, Jong-Ha","Crystal structure of <i>trans</i>-dichlorido(1,4,8,11-tetraazaundecane-κ^4^<i>N</i>)chromium(III) perchlorate determined from synchrotron data","Acta Crystallographica Section E","2016","72","3","424","427","10.1107/S2056989016002978","","","0.62","synchrotron","","0.0279","0.0252","","","0.065","0.0658","","","","","","1.066","","","","has coordinates,has Fobs","176880","2020-10-21","18:00:00",""
"2241585","11.6193","0.0008","7.68","0.0005","11.3584","0.0008","90","","90","","90","","1013.58","0.12","100","2","100","2","","","","","","","","3","P c a 21","P 2c -2ac","29","","2-[(<i>E</i>)-2-Phenylethenyl]phenol","","- C14 H12 O -","- C14 H12 O -","- C56 H48 O4 -","4","1","SU5278","Harrison, William T. A.; Plater, M. John; Yin, Lee J.","Investigations of new potential photo-acid generators: crystal structures of 2-[(<i>E</i>)-2-phenylethenyl]phenol (orthorhombic polymorph) and (2<i>E</i>)-3-(2-bromophenyl)-2-phenylprop-2-enoic acid","Acta Crystallographica Section E","2016","72","3","407","411","10.1107/S2056989016002942","","","0.71073","MoKα","","0.0362","0.0341","","","0.0901","0.0913","","","","","","1.058","","","","has coordinates,has disorder","176881","2020-10-21","18:00:00",""
"2241586","13.89","0.001","10.9048","0.0008","17.8121","0.001","90","","106.064","0.001","90","","2592.6","0.3","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","(2<i>E</i>)-3-(2-Bromophenyl)-2-phenylprop-2-enoic acid","","- C15 H11 Br O2 -","- C15 H11 Br O2 -","- C120 H88 Br8 O16 -","8","2","SU5278","Harrison, William T. A.; Plater, M. John; Yin, Lee J.","Investigations of new potential photo-acid generators: crystal structures of 2-[(<i>E</i>)-2-phenylethenyl]phenol (orthorhombic polymorph) and (2<i>E</i>)-3-(2-bromophenyl)-2-phenylprop-2-enoic acid","Acta Crystallographica Section E","2016","72","3","407","411","10.1107/S2056989016002942","","","0.71073","MoKα","","0.0289","0.0245","","","0.0615","0.0634","","","","","","1.038","","","","has coordinates","176881","2020-10-21","18:00:00",""
"2241587","10.443","0.005","16.154","0.009","10.891","0.006","90","","91.259","0.01","90","","1836.8","1.7","200","2","200","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Bis(<i>N</i>-<i>tert</i>-butylbenzamidinium) hexachloridozirconate(IV) dichloromethane disolvate","","- C24 H38 Cl10 N4 Zr -","- C24 H38 Cl10 N4 Zr -","- C48 H76 Cl20 N8 Zr2 -","2","0.5","XU5884","Jiang, Zhi-Hao; Zhao, Jian-Ping; Ma, Xiu-Ming; Bai, Sheng-Di","Crystal structure of bis(<i>N</i>-<i>tert</i>-butylbenzamidinium) hexachloridozirconate(IV) dichloromethane disolvate","Acta Crystallographica Section E","2016","72","4","432","435","10.1107/S2056989016003030","","","0.71073","MoKα","","0.1045","0.0714","","","0.1839","0.2132","","","","","","1.003","","","","has coordinates,has Fobs","177152","2020-10-21","18:00:00",""
"2241588","24.96","0.002","5.1055","0.0004","12.4664","0.0009","90","","117.545","0.005","90","","1408.6","0.2","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","Isonicotinamide Hydrochloride","4-Carbamoylpyridinium chloride","","- C6 H7 Cl N2 O -","- C6 H7 Cl N2 O -","- C48 H56 Cl8 N16 O8 -","8","1","ZL2658","Fellows, Simon M.; Prior, Timothy J.","Crystal structure of 4-carbamoylpyridinium chloride","Acta Crystallographica Section E","2016","72","4","436","439","10.1107/S2056989016003340","","","0.71073","MoKα","","0.0405","0.0337","","","0.0911","0.0931","","","","","","1.011","","","","has coordinates,has Fobs","177591","2020-10-21","18:00:00",""
"2241589","9.5867","0.0004","16.3018","0.0007","22.8548","0.001","104.179","0.002","94.449","0.002","91.992","0.002","3447.2","0.3","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","Bis[(acetato-κ<i>O</i>)(imidazolidine-2-thione-κ<i>S</i>)bis(triphenylphosphane-κ<i>P</i>)silver(I)] di-μ-imidazolidine-2-thione-κ^4^<i>S</i>:<i>S</i>-bis[(imidazolidine-2-thione-κ<i>S</i>)bis(triphenylphosphane-κ<i>P</i>)silver(I)] diacetate acetonitrile disolvate tetrahydrate","","- C138 H152 Ag4 N14 O12 P6 S6 -","- C138 H152 Ag4 N14 O12 P6 S6 -","- C138 H152 Ag4 N14 O12 P6 S6 -","1","0.5","","Nimthong-Roldán, Arunpatcha; Ratthiwan, Janejira; Lakmas, Sawanya; Wattanakanjana, Yupa","Crystal structure of bis[(acetato-κ<i>O</i>)(imidazolidine-2-thione-κ<i>S</i>)bis(triphenylphosphane-κ<i>P</i>)silver(I)] di-μ-imidazolidine-2-thione-κ^4^<i>S</i>:<i>S</i>-bis[(imidazolidine-2-thione-κ<i>S</i>)bis(triphenylphosphane-κ<i>P</i>)silver(I)] diacetate acetonitrile disolvate tetrahydrate","Acta Crystallographica Section E","2016","72","4","444","447","10.1107/S205698901600308X","","","0.71073","MoKα","","0.0483","0.0421","","","0.0859","0.088","","","","","","1.259","","","","has coordinates,has Fobs","177592","2020-10-21","18:00:00",""
"2241590","26.9108","0.001","18.3506","0.0006","13.4494","0.0004","90","","90","","90","","6641.7","0.4","296","2","296","2","","","","","","","","7","P n a 21","P 2c -2n","33","","Octakis(<i>N</i>,<i>N</i>-dimethylformamide-κ<i>O</i>)europium(III) tetracosa-μ~2~-oxido-dodecaoxido-μ~12~-phosphato-dodecamolybdate(VI)","","- C24 H56 Eu Mo12 N8 O48 P -","- C24 H56 Eu Mo12 N8 O48 P -","- C96 H224 Eu4 Mo48 N32 O192 P4 -","4","1","WM5274","Ghandour, Yassine; Hammami, Imen; Najmudin, Shabir; Bonifácio, Cecilia; Belkhiria, Mohamed Salah","Crystal structure of octakis(<i>N</i>,<i>N</i>-dimethylformamide-κ<i>O</i>)europium(III) tetracosa-μ~2~-oxido-dodecaoxido-μ~12~-phosphato-dodecamolybdate(VI)","Acta Crystallographica Section E","2016","72","4","448","451","10.1107/S2056989016003546","","","0.71073","MoKα","","0.1086","0.0471","","","0.079","0.0947","","","","","","0.975","","","","has coordinates,has Fobs","177593","2020-10-21","18:00:00",""
"2241591","7.1755","0.0003","11.5855","0.0003","17.2515","0.0005","90","","90.36","0.003","90","","1434.12","0.08","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(<i>E</i>)-9-(4-Nitrobenzylidene)-8,9-dihydropyrido[2,3-<i>d</i>]pyrrolo[1,2-<i>a</i>]pyrimidin-5(7<i>H</i>)-one","","- C17 H12 N4 O3 -","- C17 H12 N4 O3 -","- C68 H48 N16 O12 -","4","1","SU5283","Khodjaniyazov, Khamid U.; Ashurov, Jamshid M.","Crystal structure of (<i>E</i>)-9-(4-nitrobenzylidene)-8,9-dihydropyrido[2,3-<i>d</i>]pyrrolo[1,2-<i>a</i>]pyrimidin-5(7<i>H</i>)-one","Acta Crystallographica Section E","2016","72","4","452","455","10.1107/S2056989016003583","","","1.54184","CuKα","","0.076","0.0571","","","0.161","0.1751","","","","","","1.084","","","","has coordinates,has Fobs","177594","2020-10-21","18:00:00",""
"2241592","8.849","0.004","5.336","0.001","14.994","0.005","90","","99.21","0.02","90","","698.9","0.4","299","2","299","2","","","","","","","","3","P 1 21 1","P 2yb","4","Sesquiterpene","1-(6-Hydroxy-7-(propan-2-yl)-4-methylidene-2,3,3a,4,5,6,7,7a-octahydro-1<i>H</i>-inden-1-yl)ethanone","","- C15 H24 O2 -","- C15 H24 O2 -","- C30 H48 O4 -","2","1","LH5803","Bauri, A. K.; Foro, Sabine; Do, Nhu Quynh Nguyen","Crystal structure of a bioactive sesquiterpene isolated from <i>Artemisia reticulata</i>","Acta Crystallographica Section E","2016","72","4","460","462","10.1107/S2056989016003236","","","1.5418","CuKα","","0.0657","0.0596","","","0.1568","0.1639","","","","","","1.102","","","","has coordinates,has Fobs","177595","2020-10-21","18:00:00",""
"2241593","8.3365","0.0017","10.453","0.002","19.03","0.004","90","","90","","90","","1658.3","0.6","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","Poly[(4-aminopyridine-κ<i>N</i>)(<i>N</i>,<i>N</i>-dimethylformamide-κ<i>O</i>)(μ~3~-pyridine-3,5-dicarboxylato-κ^3^<i>N</i>:<i>O</i>^3^:<i>O</i>^5^)copper(II)]","","- C15 H16 Cu N4 O5 -","- C15 H16 Cu N4 O5 -","- C60 H64 Cu4 N16 O20 -","4","1","LH5806","Shen, Cheng-Chen; Hua, Xiu-Ni; Han, Lei","Crystal structure of poly[(4-aminopyridine-κ<i>N</i>)(<i>N</i>,<i>N</i>-dimethylformamide-κ<i>O</i>)(μ~3~-pyridine-3,5-dicarboxylato-κ^3^<i>N</i>:<i>O</i>^3^:<i>O</i>^5^)copper(II)]","Acta Crystallographica Section E","2016","72","4","440","443","10.1107/S205698901600342X","","","0.71073","MoKα","","0.0635","0.0385","","","0.0868","0.1322","","","","","","1.145","","","","has coordinates,has Fobs","177596","2020-10-21","18:00:00",""
"2241594","7.2738","0.0009","21.426","0.002","8.0152","0.0009","90","","100.88","0.01","90","","1226.7","0.2","299","2","299","2","","","","","","","","3","P 1 21 1","P 2yb","4","","9-Hydroxy-2-(prop-1-en-2-yl)-2,3-dihydro-7<i>H</i>-furo[3,2-<i>g</i>]chromen-7-one","","- C14 H12 O4 -","- C14 H12 O4 -","- C56 H48 O16 -","4","2","SU5279","Bauri, A. K.; Foro, Sabine; Nguyen Do, Nhu Quynh","Crystal structure of a photobiologically active furanocoumarin from <i>Artemisia reticulata</i>","Acta Crystallographica Section E","2016","72","4","463","466","10.1107/S2056989016003303","","","1.5418","CuKα","","0.0692","0.0573","","","0.1362","0.1483","","","","","","1.082","","","","has coordinates,has Fobs","177597","2020-10-21","18:00:00",""
"2241595","9.398","0.0019","14.876","0.003","17.981","0.004","66.03","0.03","76.03","0.03","78.74","0.03","2215.7","1","243","2","243","2","","","","","","","","7","P -1","-P 1","2","","<i>trans</i>-Diammine(1,4,8,11-tetraazacyclotetradecane-κ<i>N</i>^4^)chromium(III) tetrachloridozincate chloride monohydrate","","- C10 H32 Cl5 Cr N6 O Zn -","- C10 H32 Cl5 Cr N6 O Zn -","- C40 H128 Cl20 Cr4 N24 O4 Zn4 -","4","2","WM5272","Moon, Dohyun; Choi, Jong-Ha","Crystal structure of <i>trans</i>-diammine(1,4,8,11-tetraazacyclotetradecane-κ^4^<i>N</i>)chromium(III) tetrachloridozincate chloride monohydrate from synchrotron data","Acta Crystallographica Section E","2016","72","4","456","459","10.1107/S205698901600356X","","","0.62","synchrotron","","0.0351","0.0292","","","0.0817","0.084","","","","","","1.072","","","","has coordinates,has Fobs","177598","2020-10-21","18:00:00",""
"2241596","6.1616","0.0007","7.3109","0.0008","13.4537","0.0015","96.771","0.001","103.049","0.002","96.607","0.001","579.96","0.11","298","2","298","2","","","","","","","","4","P -1","-P 1","2","(<i>E</i>,<i>E</i>)-2',4'-Dihydroxyacetophenone azine dimethylformamide disolvate","4,4'-[1,1'-(Hydrazinediylidene)bis(ethan-1-yl-1-ylidene)]bis(benzene-1,3-diol)","","- C22 H30 N4 O6 -","- C22 H30 N4 O6 -","- C22 H30 N4 O6 -","1","0.5","XU5885","Li, Wen-Juan; Han, Hong-Fei","Crystal structure of (<i>E</i>,<i>E</i>)-2',4'-dihydroxyacetophenone azine dimethylformamide disolvate","Acta Crystallographica Section E","2016","72","4","467","469","10.1107/S2056989016003686","","","0.71073","MoKα","","0.0825","0.0554","","","0.1551","0.1874","","","","","","1.021","","","","has coordinates,has Fobs","178112","2020-10-21","18:00:00",""
"2241597","8.8487","0.0013","8.1514","0.0011","29.284","0.004","90","","90","","90","","2112.2","0.5","173","2","173","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","Methyl 4-bromo-2-(methoxymethoxy)benzoate","","- C10 H11 Br O4 -","- C10 H11 Br O4 -","- C80 H88 Br8 O32 -","8","1","","Suchetan, P. A.; Suneetha, V.; Naveen, S.; Lokanath, N. K.; Krishna Murthy, P.","Comparison of the crystal structures of methyl 4-bromo-2-(methoxymethoxy)benzoate and 4-bromo-3-(methoxymethoxy)benzoic acid","Acta Crystallographica Section E","2016","72","4","477","481","10.1107/S2056989016003777","","","1.54178","CuKα","","0.0529","0.0522","","","0.1382","0.1392","","","","","","1.136","","","","has coordinates","178113","2020-10-21","18:00:00",""
"2241598","7.7211","0.0003","9.6881","0.0004","14.2627","0.0006","73.635","0.001","77.664","0.001","69.577","0.001","951.4","0.07","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","4-Bromo-3-(methoxymethoxy)benzoic acid","","- C9 H9 Br O4 -","- C9 H9 Br O4 -","- C36 H36 Br4 O16 -","4","2","","Suchetan, P. A.; Suneetha, V.; Naveen, S.; Lokanath, N. K.; Krishna Murthy, P.","Comparison of the crystal structures of methyl 4-bromo-2-(methoxymethoxy)benzoate and 4-bromo-3-(methoxymethoxy)benzoic acid","Acta Crystallographica Section E","2016","72","4","477","481","10.1107/S2056989016003777","","","1.54178","CuKα","","0.0401","0.039","","","0.1184","0.1203","","","","","","1.094","","","","has coordinates","178113","2020-10-21","18:00:00",""
"2241599","8.8421","0.0002","8.8636","0.0002","10.5686","0.0002","70.114","0.001","88.6311","0.001","66.765","0.001","709.87","0.03","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","Bis{μ~2~-3-(pyridin-2-yl)-5-[(1,2,4-triazol-1-yl)methyl]-1,2,4-triazolato}bis[aquanitratocopper(II)] dihydrate","","- C20 H24 Cu2 N16 O10 -","- C20 H24 Cu2 N16 O10 -","- C20 H24 Cu2 N16 O10 -","1","0.5","RZ5185","Doroschuk, Roman","Crystal structure of bis{μ~2~-3-(pyridin-2-yl)-5-[(1,2,4-triazol-1-yl)methyl]-1,2,4-triazolato}bis[aquanitratocopper(II)] dihydrate","Acta Crystallographica Section E","2016","72","4","486","488","10.1107/S2056989016003479","","","0.71073","MoKα","","0.0295","0.027","","","0.0716","0.073","","","","","","1.073","","","","has coordinates,has Fobs","178114","2020-10-21","18:00:00",""
"2241600","19.9014","0.0004","8.7044","0.0002","27.1181","0.0005","90","","90.753","0.001","90","","4697.26","0.17","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","Bis{bis(azido-κ<i>N</i>)bis[bis(pyridin-2-yl-κ<i>N</i>)amine]cobalt(III)} sulfate dihydrate","","- C40 H40 Co2 N24 O6 S -","- C40 H40 Co2 N24 O6 S -","- C160 H160 Co8 N96 O24 S4 -","4","0.5","ZL2656","Setifi, Fatima; Knaust, Jacqueline M.; Setifi, Zouaoui; Touzani, Rachid","Bis{bis(azido-κ<i>N</i>)bis[bis(pyridin-2-yl-κ<i>N</i>)amine]cobalt(III)} sulfate dihydrate","Acta Crystallographica Section E","2016","72","4","470","476","10.1107/S2056989016003662","","","0.71073","MoKα","","0.0989","0.0431","","","0.0818","0.0939","","","","","","0.901","","","","has coordinates,has Fobs","178117","2020-10-21","18:00:00",""
"2241601","17.533","0.001","13.8815","0.0007","16.6179","0.0008","90","","104.771","0.006","90","","3910.9","0.4","298","","298","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","Tetrakis[μ~2~-2-(dimethylamino)ethanolato-κ^3^<i>N</i>,<i>O</i>:<i>O</i>]di-μ~3~-hydroxido-dithiocyanato-κ^2^<i>N</i>-dichromium(III)dilead(II) dithiocyanate acetonitrile monosolvate","","- C22 H45 Cr2 N9 O6 Pb2 S4 -","- C20 H42 Cr2 N8 O6 Pb2 S4 -","- C80 H168 Cr8 N32 O24 Pb8 S16 -","4","0.5","IS5439","Rusanova, Julia A.; Semenaka, Valentyna V.; Omelchenko, Irina V.","Crystal structure of tetrakis[μ~2~-2-(dimethylamino)ethanolato-κ^3^<i>N</i>,<i>O</i>:<i>O</i>]di-μ~3~-hydroxido-dithiocyanato-κ^2^<i>N</i>-dichromium(III)dilead(II) dithiocyanate acetonitrile monosolvate","Acta Crystallographica Section E","2016","72","4","489","491","10.1107/S2056989016003996","","","0.71073","MoKα","","0.0594","0.0349","","","0.0526","0.058","","","","","","0.928","","","","has coordinates,has Fobs","178118","2020-10-21","18:00:00",""
"2241602","14.1402","0.0011","6.2297","0.0005","7.4571","0.0006","90","","90","","90","","656.89","0.09","110","","110","","","","","","","","","4","P n m a","-P 2ac 2n","62","","2-Methyl-1<i>H</i>-imidazol-3-ium nitrate","","- C4 H7 N3 O3 -","- C4 H7 N3 O3 -","- C16 H28 N12 O12 -","4","0.5","WM5276","Diop, Mouhamadou Birame; Diop, Libasse; Maris, Thierry","Crystal structures of the two salts 2-methyl-1<i>H</i>-imidazol-3-ium nitrate‒2-methyl-1<i>H</i>-imidazole (1/1) and 2-methyl-1<i>H</i>-imidazol-3-ium nitrate","Acta Crystallographica Section E","2016","72","4","482","485","10.1107/S2056989016003789","","","1.34139","GaKα","","0.0515","0.0491","","","0.1426","0.1459","","","","","","1.036","","","","has coordinates,has disorder,has Fobs","178119","2020-10-21","18:00:00",""
"2241603","10.1879","0.0004","10.0912","0.0004","11.9055","0.0005","90","","115.188","0.002","90","","1107.6","0.08","100","","100","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","2-Methyl-1<i>H</i>-imidazol-3-ium nitrate‒2-methyl-1<i>H</i>-imidazole (1/1)","","- C8 H13 N5 O3 -","- C8 H13 N5 O3 -","- C32 H52 N20 O12 -","4","0.5","WM5276","Diop, Mouhamadou Birame; Diop, Libasse; Maris, Thierry","Crystal structures of the two salts 2-methyl-1<i>H</i>-imidazol-3-ium nitrate‒2-methyl-1<i>H</i>-imidazole (1/1) and 2-methyl-1<i>H</i>-imidazol-3-ium nitrate","Acta Crystallographica Section E","2016","72","4","482","485","10.1107/S2056989016003789","","","1.34139","GaKα","","0.0367","0.0344","","","0.0983","0.1002","","","","","","1.039","","","","has coordinates,has Fobs","178119","2020-10-21","18:00:00",""
"2241604","23.038","0.002","23.038","0.002","18.4214","0.0017","90","","90","","120","","8467.3","1.3","296","2","296","2","","","","","","","","7","R 3","R 3","146","","Tris[bis(triphenylphosphoranylidene)ammonium] tris(μ~2~-4-chloropyrazolato-κ^2^<i>N</i>:<i>N</i>')-μ~3~-oxido-tris[(nitrato-κ^2^<i>O</i>,<i>O</i>')cuprate(II)] nitrate monohydrate","","- C117 H98 Cl3 Cu3 N13 O14 P6 -","- C117 H98 Cl3 Cu3 N13 O14 P6 -","- C351 H294 Cl9 Cu9 N39 O42 P18 -","3","","WM4004","Mathivathanan, Logesh; Cruz, Raquel; Raptis, Raphael G.","A [Cu~3~(μ~3~-O)]‒pyrazolate metallacycle with terminal nitrate ligands exhibiting point group symmetry 3","Acta Crystallographica Section E","2016","72","4","492","494","10.1107/S2056989016003741","","","0.71073","MoKα","","0.0466","0.034","","","0.0811","0.0882","","","","","","1.027","","","","has coordinates,has Fobs","194389","2020-10-21","18:00:00",""
"2241605","8.2903","0.0003","8.2903","0.0003","8.2903","0.0003","90","","90","","90","","569.78","0.04","298","2","298","2","","","","","","","","4","F d -3 m :2","-F 4vw 2vw 3","227","","Lithium diiron(III) germanium tetraoxide","","- Fe2.15 Ge0.21 Li0.64 O4 -","- Fe2.151 Ge0.205 Li0.644 O4 -","- Fe17.208 Ge1.64 Li5.152 O32 -","8","0.0416667","WM5279","Redhammer, Günther J.; Tippelt, Gerold","Crystal structure of spinel-type Li~0.64~Fe~2.15~Ge~0.21~O~4~","Acta Crystallographica Section E","2016","72","4","505","508","10.1107/S205698901600414X","","","0.71073","MoKα","","0.0186","0.0178","","","","0.0419","","","","","","1.367","","","","has coordinates,has Fobs","178197","2020-10-21","18:00:00",""
"2241606","10.612","0.0004","10.8219","0.0004","21.7591","0.0008","90","","90","","90","","2498.86","0.16","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","<i>trans</i>-Bis(diethanolamine-κ^3^<i>O</i>,<i>N</i>,<i>O</i>')manganese(II) bis(3-aminobenzoate)","","- C22 H34 Mn N4 O8 -","- C22 H34 Mn N4 O8 -","- C88 H136 Mn4 N16 O32 -","4","0.5","WM5277","Ibragimov, Aziz B.; Zakirov, Bakhtiyar S.; Ashurov, Jamshid M.","Crystal structure of <i>trans</i>-bis(diethanolamine-κ^3^<i>O</i>,<i>N</i>,<i>O</i>')manganese(II) bis(3-aminobenzoate)","Acta Crystallographica Section E","2016","72","4","502","504","10.1107/S2056989016004072","","","1.54184","CuKα","","0.0736","0.0445","","","0.1108","0.1359","","","","","","1.056","","","","has coordinates,has Fobs","178198","2020-10-21","18:00:00",""
"2241607","27.3226","0.0005","7.3618","0.0002","14.6742","0.0004","90","","93.905","0.001","90","","2944.77","0.13","298","2","298","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","Cytosinium hydrogen maleate","Cytosinium hydrogen maleate‒cytosine (1/1)","","- C12 H14 N6 O6 -","- C12 H14 N6 O6 -","- C96 H112 N48 O48 -","8","1","SU5280","Fábry, Jan","Redetermination of cytosinium hydrogen maleate‒cytosine (1/1) from the original data","Acta Crystallographica Section E","2016","72","4","509","511","10.1107/S2056989016003923","","","0.71073","MoKα","","0.0654","0.038","","","0.0864","0.0928","","","","","","1.85","","","","has coordinates,has Fobs","178199","2020-10-21","18:00:00",""
"2241608","12.9646","0.0004","10.8636","0.0003","15.6297","0.0005","90","","111.596","0.003","90","","2046.79","0.12","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Diaquabis(<i>N</i>,<i>N</i>-diethylnicotinamide-κ<i>N</i>^1^)bis(2,4,6-trimethylbenzoato-κ<i>O</i>^1^)cobalt(II)","","- C40 H54 Co N4 O8 -","- C40 H54 Co N4 O8 -","- C80 H108 Co2 N8 O16 -","2","0.5","WM5273","Aşkın, Gülçin Şefiye; Necefoğlu, Hacali; Özkaya, Safiye; Çatak Çelik, Raziye; Hökelek, Tuncer","Crystal structure of diaquabis(<i>N</i>,<i>N</i>-diethylnicotinamide-κ<i>N</i>^1^)bis(2,4,6-trimethylbenzoato-κ<i>O</i>^1^)cobalt(II)","Acta Crystallographica Section E","2016","72","4","498","501","10.1107/S2056989016004059","","","0.71073","MoKα","","0.0921","0.0628","","","0.1393","0.155","","","","","","1.072","","","","has coordinates,has disorder,has Fobs","178200","2020-10-21","18:00:00",""
"2241609","10.5797","0.0002","14.5528","0.0003","6.6441","0.0003","90","","105.608","0.009","90","","985.23","0.07","293","2","293","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","","Tetrasodium hepta(cobalt/aluminium) hexa(arsenate/phosphate)","","- Al1.08 As5.3 Co5.4 Na4 O24 P0.7 -","- Al1.081 As5.298 Co5.399 Na4 O24 P0.702 -","- Al2.162 As10.596 Co10.798 Na8 O48 P1.404 -","2","0.25","BR2258","Issaoui, Chokri; Chebbi, Hammouda; Guesmi, Abderrahmen","Crystal structure of Na~4~Co~7{-~<i>x</i>}Al~0.67<i>x~</i>(As~1{-~<i>y</i>}P~<i>y~</i>O~4~)~6~ (<i>x</i>~= 1.60; <i>y</i> = 0.116)","Acta Crystallographica Section E","2016","72","4","495","497","10.1107/S205698901600400X","","","0.71073","MoKα","","0.045","0.0297","","","0.0765","0.083","","","","","","1.065","","","","has coordinates,has Fobs","178201","2020-10-21","18:00:00",""
"2241610","20.7896","0.001","4.6965","0.0002","32.5217","0.0013","90","","95.004","0.004","90","","3163.3","0.2","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","2-[(1<i>E</i>)-({[(Benzylsulfanyl)methanethioyl]amino}imino)methyl]-6-methoxyphenol","","- C16 H16 N2 O2 S2 -","- C16 H16 N2 O2 S2 -","- C128 H128 N16 O16 S16 -","8","1","HB7572","Yusof, Enis Nadia Md; Jotani, Mukesh M.; Tiekink, Edward R. T.; Ravoof, Thahira B. S. A.","2-[(1<i>E</i>)-({[(Benzylsulfanyl)methanethioyl]amino}imino)methyl]-6-methoxyphenol: crystal structure and Hirshfeld surface analysis","Acta Crystallographica Section E","2016","72","4","516","521","10.1107/S2056989016004291","","","0.71073","MoKα","","0.0566","0.041","","","0.0887","0.0973","","","","","","1.059","","","","has coordinates,has Fobs","178343","2020-10-21","18:00:00",""
"2241611","6.6358","0.0004","7.556","0.0005","27.4226","0.0016","90","","94.418","0.002","90","","1370.89","0.15","293","","293","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2-Amino-4,6-dimethoxypyrimidin-1-ium 4-aminobenzoate","","- C13 H16 N4 O4 -","- C13 H16 N4 O4 -","- C52 H64 N16 O16 -","4","1","SU5289","Fábry, Jan","A redetermination from the original data of the crystal structure of 2-amino-4,6-dimethoxypyrimidin-1-ium 4-aminobenzoate","Acta Crystallographica Section E","2016","72","4","512","515","10.1107/S2056989016004321","","","0.71073","MoKα","","0.0581","0.037","","","0.0805","0.0844","","","","","","1.91","","","","has coordinates,has Fobs","178344","2020-10-21","18:00:00",""
"2241612","7.8768","0.0003","12.2939","0.0005","12.612","0.0004","95.692","0.003","97.267","0.003","103.574","0.003","1167.09","0.08","183.05","0.1","183.05","0.1","","","","","","","","5","P -1","-P 1","2","","<i>trans</i>-Dichlorido[3-methyl-1-(4-vinylbenzyl)-1<i>H</i>-imidazol-3-ium-2-yl-κ<i>C</i>^2^](4-phenylpyridine-κ<i>N</i>)palladium(II)","","- C24 H23 Cl2 N3 Pd -","- C24 H23 Cl2 N3 Pd -","- C48 H46 Cl4 N6 Pd2 -","2","1","","Majeed, Maitham H.; Wendt, Ola F.","Synthesis and crystal structure of <i>trans</i>-dichlorido[3-methyl-1-(4-vinylbenzyl)-1<i>H</i>-imidazol-3-ium-2-yl-κ<i>C</i>^2^](4-phenylpyridine-κ<i>N</i>)palladium(II)","Acta Crystallographica Section E","2016","72","4","534","537","10.1107/S2056989016004394","","","0.71073","MoKα","","0.0345","0.0269","","","0.0629","0.0675","","","","","","1.043","","","","has coordinates,has Fobs","179285","2020-10-21","18:00:00",""
"2241613","4.7613","0.0007","10.8925","0.0017","15.054","0.002","107.263","0.003","94.06","0.003","94.549","0.003","739.56","0.19","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","Bis(2-aminoanilinium) hydrogen phosphate","","- C12 H19 N4 O4 P -","- C12 H19 N4 O4 P -","- C24 H38 N8 O8 P2 -","2","1","RZ5186","Ittyachan, Reena; Ahigna, Melesuparambil Sundaram; Jagan, Rajamony","Crystal structure of bis(2-aminoanilinium) hydrogen phosphate","Acta Crystallographica Section E","2016","72","4","530","533","10.1107/S2056989016004709","","","0.71073","MoKα","","0.0705","0.0522","","","0.1076","0.1186","","","","","","1.16","","","","has coordinates,has Fobs","179286","2020-10-21","18:00:00",""
"2241614","10.7061","0.0005","12.2157","0.0005","14.6159","0.0008","65.52","0.005","79.6","0.004","82.417","0.004","1707.6","0.16","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","Bis(triethanolamine-κ^4^<i>N</i>,<i>O</i>,<i>O</i>',<i>O</i>'')cadmium bis[2-(2-oxo-2,3-dihydro-1,3-benzothiazol-3-yl)acetate]","","- C30 H42 Cd N4 O12 S2 -","- C30 H42 Cd N4 O12 S2 -","- C60 H84 Cd2 N8 O24 S4 -","2","1","WM5280","Ashurov, Jamshid Mengnorovich","Crystal structure of the salt bis(triethanolamine-κ^4^<i>N</i>,<i>O</i>,<i>O</i>',<i>O</i>'')cadmium bis[2-(2-oxo-2,3-dihydro-1,3-benzothiazol-3-yl)acetate]","Acta Crystallographica Section E","2016","72","4","526","529","10.1107/S2056989016004515","","","1.54184","CuKα","","0.0428","0.04","","","0.1041","0.1067","","","","","","1.064","","","","has coordinates,has Fobs","179287","2020-10-21","18:00:00",""
"2241615","16.5415","0.0009","14.66","0.0011","17.0026","0.0012","90","","90","","90","","4123.1","0.5","193","2","193","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","(<i>OC</i>-6-42)-Acetonitrilechloridobis[2-(pyridin-2-yl)phenyl-κ^2^<i>N</i>,<i>C</i>^1^]rhodium(III)","","- C24 H19 Cl N3 Rh -","- C24 H19 Cl N3 Rh -","- C192 H152 Cl8 N24 Rh8 -","8","1","IS5448","Sakate, Mika; Hosoda, Haruka; Suzuki, Takayoshi","Crystal structures of bis[2-(pyridin-2-yl)phenyl-κ^2^<i>N</i>,<i>C</i>^1^]rhodium(III) complexes containing an acetonitrile or monodentate thyminate(1{-}) ligand","Acta Crystallographica Section E","2016","72","4","543","547","10.1107/S2056989016004837","","","0.71075","MoKα","","0.0258","0.0237","","","0.0592","0.0602","","","","","","1.071","","","","has coordinates,has Fobs","179691","2020-10-21","18:00:00",""
"2241616","10.6964","0.0007","15.5329","0.0009","32.6325","0.0015","90","","90","","90","","5421.8","0.5","192","2","192","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","(<i>OC</i>-6-42)-Methanol(5-methyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-ido-κ<i>N</i>^1^)bis[2-(pyridin-2-yl)phenyl-κ^2^<i>N</i>,<i>C</i>^1^]rhodium(III)","","- C29 H30 N4 O4.5 Rh -","- C29 H29 N4 O4.5 Rh -","- C232 H232 N32 O36 Rh8 -","8","1","IS5448","Sakate, Mika; Hosoda, Haruka; Suzuki, Takayoshi","Crystal structures of bis[2-(pyridin-2-yl)phenyl-κ^2^<i>N</i>,<i>C</i>^1^]rhodium(III) complexes containing an acetonitrile or monodentate thyminate(1{-}) ligand","Acta Crystallographica Section E","2016","72","4","543","547","10.1107/S2056989016004837","","","0.71075","MoKα","","0.0407","0.0343","","","0.0916","0.0957","","","","","","1.038","","","","has coordinates,has Fobs","179691","2020-10-21","18:00:00",""
"2241617","11.1082","0.0005","15.5556","0.0006","32.6747","0.0015","90","","90","","90","","5646","0.4","192","2","192","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","(<i>OC</i>-6-42)-Ethanol(5-methyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-ido-κ<i>N</i>^1^)bis[2-(pyridin-2-yl)phenyl-κ^2^<i>N</i>,<i>C</i>^1^]rhodium(III)","","- C31 H33 N4 O4 Rh -","- C31 H33 N4 O4 Rh -","- C248 H264 N32 O32 Rh8 -","8","1","IS5448","Sakate, Mika; Hosoda, Haruka; Suzuki, Takayoshi","Crystal structures of bis[2-(pyridin-2-yl)phenyl-κ^2^<i>N</i>,<i>C</i>^1^]rhodium(III) complexes containing an acetonitrile or monodentate thyminate(1{-}) ligand","Acta Crystallographica Section E","2016","72","4","543","547","10.1107/S2056989016004837","","","0.71075","MoKα","","0.0322","0.0291","","","0.0741","0.0757","","","","","","1.072","","","","has coordinates,has Fobs","179691","2020-10-21","18:00:00",""
"2241618","15.973","0.003","18.639","0.003","22.785","0.004","90","","101.757","0.004","90","","6641","2","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Bis[μ~2~-9,10-bis(oxidoimino)phenanthrene]bis[μ~2~-10-(oxidoimino)phenanthrene-9-one oxime](phenanthrene-9,10-dione dioxime)trinickel(II) toluene disolvate","","- C84 H60 N10 Ni3 O10 -","- C84 H60 N10 Ni3 O10 -","- C336 H240 N40 Ni12 O40 -","4","1","PK2575","Williams, Owen M.; Cowley, Alan H.","Trinuclear nickel coordination complexes of phenanthrene-9,10-dione dioxime","Acta Crystallographica Section E","2016","72","4","538","542","10.1107/S2056989016004023","","","0.71069","MoKα","","0.0746","0.067","","","0.1467","0.1507","","","","","","1.211","","","","has coordinates,has disorder,has Fobs","179692","2020-10-21","18:00:00",""
"2241619","15.6414","0.0008","30.8358","0.0011","14.738","0.0008","90","","112.411","0.006","90","","6571.5","0.6","100","2","100","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","Bis(μ~2~-bis{[10-(oxidoimino)-9,10-dihydrophenanthren-9-ylidene]amino} difluoroborato)(phenanthrene-9,10-dione dioxime)trinickel(II) dichloromethane trisolvate","","- C73 H48 B2 Cl6 F4 N10 Ni3 O10 -","- C70 H42 B2 F4 N10 Ni3 O10 -","- C280 H168 B8 F16 N40 Ni12 O40 -","4","1","PK2575","Williams, Owen M.; Cowley, Alan H.","Trinuclear nickel coordination complexes of phenanthrene-9,10-dione dioxime","Acta Crystallographica Section E","2016","72","4","538","542","10.1107/S2056989016004023","","","1.54184","CuKα","","0.1112","0.0771","","","0.1914","0.2264","","","","","","1.03","","","","has coordinates,has Fobs","179692","2020-10-21","18:00:00",""
"2241620","8.0427","0.0017","10.343","0.002","11.007","0.002","104.469","0.002","95.12","0.002","102.851","0.002","854.1","0.3","173","2","173","2","","","","","","","","5","P -1","-P 1","2","FNWI-021","4'-Bromo-2',5'-dimethoxy-2,5-dioxo-[1,1'-biphenyl]-3,4-dicarbonitrile benzene hemisolvate","","- C19 H12 Br N2 O4 -","- C19 H12 Br N2 O4 -","- C38 H24 Br2 N4 O8 -","2","1","HB7567","Meany, Joseph E.; Gerlach, Deidra L.; Papish, Elizabeth T.; Woski, Stephen A.","Crystal structure of 4'-bromo-2',5'-dimethoxy-2,5-dioxo-[1,1'-biphenyl]-3,4-dicarbonitrile [BrHBQ(CN)~2~] benzene hemisolvate","Acta Crystallographica Section E","2016","72","4","600","603","10.1107/S2056989016005120","","","0.71073","MoKα","","0.0355","0.0276","","","0.0646","0.0676","","","","","","1.058","","","","has coordinates,has Fobs","180662","2020-10-21","18:00:00",""
"2241621","7.1229","0.0005","7.2913","0.0007","22.6098","0.0018","90","","90","","90","","1174.24","0.17","213","2","213","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","<i>fac</i>-Aquatricarbonyl[(<i>S</i>)-valinato-\ κ^2^<i>N</i>,<i>O</i>]rhenium(I)","","- C8 H12 N O6 Re -","- C8 H12 N O6 Re -","- C32 H48 N4 O24 Re4 -","4","1","WM5283","Piletska, Kseniia O.; Domasevitch, Kostiantyn V.; Shtemenko, Alexander V.","Crystal structure of <i>fac</i>-aquatricarbonyl[(<i>S</i>)-valinato-κ^2^<i>N</i>,<i>O</i>]rhenium(I)","Acta Crystallographica Section E","2016","72","4","590","592","10.1107/S2056989016005235","","","0.71073","MoKα","","0.0265","0.0219","","","0.0464","0.0473","","","","","","0.993","","","","has coordinates,has Fobs","180663","2020-10-21","18:00:00",""
"2241622","17.1911","0.0002","14.9027","0.0002","18.4492","0.0002","90","","114.255","0.0015","90","","4309.35","0.1","100","0.1","100","0.1","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","(±)-[<i>trans</i>-Cyclohexane-1,2-diylbis(azanediyl)]diphosphonium dibromide dichloromethane disolvate","","- C44 H46 Br2 Cl4 N2 P2 -","- C44 H46 Br2 Cl4 N2 P2 -","- C176 H184 Br8 Cl16 N8 P8 -","4","0.5","","Rodríguez Álvarez, Aurora; Tlahuext, Hugo; Grévy, Jean-Michel","Crystal structure of (±)-[<i>trans</i>-cyclohexane-1,2-diylbis(azanediyl)]diphosphonium dibromide dichloromethane disolvate","Acta Crystallographica Section E","2016","72","4","559","562","10.1107/S2056989016004576","","","1.54184","CuKα","","0.0386","0.0382","","","0.0975","0.0978","","","","","","1.038","","","","has coordinates,has Fobs","180664","2020-10-21","18:00:00",""
"2241623","7.7468","0.0003","15.1573","0.0004","7.2328","0.0007","90","","90","","90","","849.28","0.09","100","2","100","2","","","","","","","","5","P n n m","-P 2 2n","58","","<i>catena</i>-Poly[[bis(acetylacetonato-κ^2^<i>O</i>,<i>O</i>')cobalt(II)]-μ-1,4-diazabicyclo[2.2.2]octane-κ^2^<i>N</i>^1^:<i>N</i>^4^]","","- C16 H26 Co N2 O4 -","- C16 H26 Co N2 O4 -","- C32 H52 Co2 N4 O8 -","2","0.25","WM5278","Dumitru, Florina; Englert, Ulli; Braun, Beatrice","Orientational disorder in the one-dimensional coordination polymer <i>catena</i>-poly[[bis(acetylacetonato-κ^2^<i>O</i>,<i>O</i>')cobalt(II)]-μ-1,4-diazabicyclo[2.2.2]octane-κ^2^<i>N</i>^1^:<i>N</i>^4^]","Acta Crystallographica Section E","2016","72","4","548","551","10.1107/S205698901600428X","","","0.71073","MoKα","","0.0237","0.0199","","","0.0541","0.055","","","","","","1.09","","","","has coordinates,has Fobs","180665","2020-10-21","18:00:00",""
"2241624","16.8603","0.0008","7.2655","0.0003","14.4534","0.0006","90","","128.751","0.001","90","","1380.78","0.11","150","","150","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","<i>trans</i>-2,5-Dimethylpiperazine-1,4-diium bis(perchlorate) dihydrate","","- C6 H20 Cl2 N2 O10 -","- C6 H20 Cl2 N2 O10 -","- C24 H80 Cl8 N8 O40 -","4","0.5","HB7574","Ben Mleh, Cherifa; Roisnel, Thierry; Marouani, Houda","<i>trans</i>-2,5-Dimethylpiperazine-1,4-diium bis(perchlorate) dihydrate: crystal structure and Hirshfeld surface analysis","Acta Crystallographica Section E","2016","72","4","593","596","10.1107/S205698901600520X","","","0.71073","MoKα","","0.0302","0.0279","","","0.073","0.0744","","","","","","1.125","","","","has coordinates,has Fobs","180666","2020-10-21","18:00:00",""
"2241625","7.5315","0.0003","15.564","0.0008","17.3901","0.0008","90","","90","","90","","2038.47","0.16","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","Isoquinolinium 5-(2,4-dinitrophenyl)-1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-olate","","- C21 H17 N5 O7 -","- C21 H17 N5 O7 -","- C84 H68 N20 O28 -","4","1","CV5504","Poornima Devi, Ponnusamy; Kalaivani, Doraisamyraja","Isoquinolinium 5-(2,4-dinitrophenyl)-1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-olate: crystal structure, Hirshfeld surface analysis and pharmacological evaluation","Acta Crystallographica Section E","2016","72","4","570","574","10.1107/S2056989016005004","","","0.71073","MoKα","","0.0838","0.0552","","","0.1332","0.1639","","","","","","1.105","","","","has coordinates,has Fobs","180668","2020-10-21","18:00:00",""
"2241626","31.2431","0.0006","10.7872","0.0002","15.2556","0.0003","90","","90","","90","","5141.53","0.17","250","2","250.15","","","","","","","","","5","P b c n","-P 2n 2ab","60","","Hexa-μ~2~-acetato-bis(2-{[(2,2,6,6-tetramethylpiperidin-4-yl)imino]methyl}phenolato-κ^3^<i>O</i>,<i>N</i>,<i>N</i>')tetracopper(II)","","- C44 H64 Cu4 N4 O14 -","- C44 H64 Cu4 N4 O14 -","- C176 H256 Cu16 N16 O56 -","4","0.5","LH5808","Huang, Guohui; Liu, Xiaoxuan","Crystal structure of a tetranuclear Cu^II^ complex with an <i>O</i>,<i>N</i>,<i>N</i>'-donor Schiff base ligand: hexa-μ~2~-acetato-bis(2-{[(2,2,6,6-tetramethylpiperidin-4-yl)imino]methyl}phenolato-κ^3^<i>O</i>,<i>N</i>,<i>N</i>')tetracopper(II)","Acta Crystallographica Section E","2016","72","4","597","599","10.1107/S2056989016005041","","","1.54178","CuKα","","0.058","0.038","","","0.0941","0.109","","","","","","1.051","","","","has coordinates,has Fobs","180669","2020-10-21","18:00:00",""
"2241627","5.0618","0.0003","14.6282","0.0008","6.1294","0.0004","90","","106.321","0.002","90","","435.56","0.05","150","2","150","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","1,2-Bis[(1<i>H</i>-imidazol-2-yl)methylidene]hydrazine","","- C8 H8 N6 -","- C8 H8 N6 -","- C16 H16 N12 -","2","0.5","BG2582","Lee, Chia-Hwa; Lee, Gene-Hsiang","Crystal structure of 1,2-bis[(1<i>H</i>-imidazol-2-yl)methylidene]hydrazine and its one-dimensional hydrogen-bonding network","Acta Crystallographica Section E","2016","72","4","556","558","10.1107/S2056989016004497","","","0.71073","MoKα","","0.0467","0.0423","","","0.1133","0.1165","","","","","","1.119","","","","has coordinates,has Fobs","180670","2020-10-21","18:00:00",""
"2241628","10.0259","0.0003","12.4289","0.0003","21.6241","0.0006","90","","92.443","0.001","90","","2692.15","0.13","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","4-Fluoro-<i>N</i>-(2-methylphenylsulfonyl)benzamide","","- C14 H12 F N O3 S -","- C14 H12 F N O3 S -","- C112 H96 F8 N8 O24 S8 -","8","2","SU5287","Suchetan, P. A.; Naveen, S.; Lokanath, N. K.; Srivishnu, K. S.; Supriya, G. M.; Lakshmikantha, H. N.","Crystal structures of three <i>N</i>-(arylsulfonyl)-4-fluorobenzamides","Acta Crystallographica Section E","2016","72","4","575","582","10.1107/S2056989016005089","","","1.54178","CuKα","","0.0423","0.0404","","","0.1172","0.1206","","","","","","1","","","","has coordinates","180671","2020-10-21","18:00:00",""
"2241629","7.9009","0.0002","9.0775","0.0003","18.4216","0.0005","90","","99.801","0.001","90","","1301.92","0.06","173","2","173","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","<i>N</i>-(2-Chlorophenylsulfonyl)-4-fluorobenzamide","","- C13 H9 Cl F N O3 S -","- C13 H9 Cl F N O3 S -","- C52 H36 Cl4 F4 N4 O12 S4 -","4","1","SU5287","Suchetan, P. A.; Naveen, S.; Lokanath, N. K.; Srivishnu, K. S.; Supriya, G. M.; Lakshmikantha, H. N.","Crystal structures of three <i>N</i>-(arylsulfonyl)-4-fluorobenzamides","Acta Crystallographica Section E","2016","72","4","575","582","10.1107/S2056989016005089","","","1.54178","CuKα","","0.0414","0.0409","","","0.123","0.1237","","","","","","0.971","","","","has coordinates","180671","2020-10-21","18:00:00",""
"2241630","45.5989","0.0011","4.8853","0.0001","12.6517","0.0003","90","","94.481","0.001","90","","2809.73","0.11","173","2","173","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","<i>N</i>-(4-Chlorophenylsulfonyl)-4-fluorobenzamide monohydrate","","- C13 H11 Cl F N O4 S -","- C13 H11 Cl F N O4 S -","- C104 H88 Cl8 F8 N8 O32 S8 -","8","1","SU5287","Suchetan, P. A.; Naveen, S.; Lokanath, N. K.; Srivishnu, K. S.; Supriya, G. M.; Lakshmikantha, H. N.","Crystal structures of three <i>N</i>-(arylsulfonyl)-4-fluorobenzamides","Acta Crystallographica Section E","2016","72","4","575","582","10.1107/S2056989016005089","","","1.54178","CuKα","","0.0442","0.0385","","","0.1136","0.1184","","","","","","0.935","","","","has coordinates","180671","2020-10-21","18:00:00",""
"2241631","10.947","0.003","12.999","0.004","12.44","0.004","90","","101.833","0.004","90","","1732.6","0.9","120","2","120","2","","","","","","","","5","P 1 21 1","P 2yb","4","","<i>L</i>-Leucyl-<i>L</i>-isoleucine 2,2,2-trifluoroethanol monosolvate","","- C14 H27 F3 N2 O4 -","- C14 H27 F3 N2 O4 -","- C56 H108 F12 N8 O16 -","4","2","HB7570","Görbitz, Carl Henrik","Crystal structure of <small>L</small>-leucyl-<small>L</small>-isoleucine 2,2,2-trifluoroethanol monosolvate","Acta Crystallographica Section E","2016","72","5","635","638","10.1107/S2056989016005302","","","0.71073","MoKα","","0.0516","0.0408","","","0.0886","0.0947","","","","","","1.03","","","","has coordinates,has disorder,has Fobs","181818","2020-10-21","18:00:00",""
"2241632","8.5361","0.0003","8.6272","0.0003","8.8576","0.0003","77.761","0.001","72.307","0.001","60.985","0.001","541.81","0.03","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","1,4-Bis(3-ammoniopropyl)piperazine-1,4-diium bis[dichromate(VI)]","","- C10 H28 Cr4 N4 O14 -","- C10 H28 Cr4 N4 O14 -","- C10 H28 Cr4 N4 O14 -","1","0.5","WM5281","Vetrivel, S.; Vinoth, E.; Mullai, R. U.; Aruljothi, R.; NizamMohideen, M.","Crystal structure of 1,4-bis(3-ammoniopropyl)piperazine-1,4-diium bis[dichromate(VI)]","Acta Crystallographica Section E","2016","72","5","616","619","10.1107/S2056989016005284","","","0.71073","MoKα","","0.0238","0.023","","","0.0675","0.0682","","","","","","1.062","","","","has coordinates,has Fobs","181819","2020-10-21","18:00:00",""
"2241633","8.1817","0.0001","26.4033","0.0005","8.88","0.0002","90","","98.023","0.001","90","","1899.52","0.06","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","9-[(2<i>R</i>,4<i>S</i>,5<i>R</i>)-4-Hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-2-{[(2<i>R</i>,4<i>S</i>,5<i>R</i>)-4-methoxy-5-(methoxymethyl)tetrahydrofuran-2-yl]amino}-1<i>H</i>-purin-6(9<i>H</i>)-one","","- C17 H25 N5 O7 -","- C17 H25 N5 O7 -","- C68 H100 N20 O28 -","4","2","HB7568","Catalano, Michael J.; Ruddraraju, Kasi Viswanatharaju; Barnes, Charles L.; Gates, Kent S.","Crystal structure of a nucleoside model for the interstrand cross-link formed by the reaction of 2'-deoxyguanosine and an abasic site in duplex DNA","Acta Crystallographica Section E","2016","72","5","624","627","10.1107/S205698901600517X","","","1.54178","CuKα","","0.0284","0.027","","","0.0704","0.0715","","","","","","1.038","","","","has coordinates,has Fobs","181820","2020-10-21","18:00:00",""
"2241634","9.6869","0.0002","12.614","0.0002","14.7498","0.0003","77.839","0.001","76.533","0.0009","70.875","0.001","1638.19","0.06","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","3-[(<i>E</i>)-(2-Hydroxy-3-methoxybenzylidene)amino]-1-methyl-1-\ phenylthiourea","","- C16 H17 N3 O2 S -","- C16 H17 N3 O2 S -","- C64 H68 N12 O8 S4 -","4","2","IS5446","Gangadharan, Rajeswari; Muralisankar, Mathiyan; Sreekanth, Anandaram; Rahman, Abdullakutty Anees; Sethusankar, K.","Crystal structure of 3-[(<i>E</i>)-(2-hydroxy-3-methoxybenzylidene)amino]-1-methyl-1-phenylthiourea","Acta Crystallographica Section E","2016","72","5","608","611","10.1107/S2056989016005326","","","0.71073","MoKα","","0.0642","0.0466","","","0.1274","0.139","","","","","","1.05","","","","has coordinates,has Fobs","181821","2020-10-21","18:00:00",""
"2241635","11.6395","0.0005","19.0487","0.0006","20.4977","0.0007","90","","90","","90","","4544.7","0.3","103","2","103","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","Levomepromazine-maleate","(-)-(<i>S</i>)-3-(2-Methoxyphenothiazin-10-yl)-<i>N</i>,<i>N</i>,2-trimethylpropanaminium hydrogen maleate","","- C23 H28 N2 O5 S -","- C23 H28 N2 O5 S -","- C184 H224 N16 O40 S8 -","8","2","GK2652","Gál, Gyula Tamás; May, Nóra Veronika; Bombicz, Petra","Crystal structure of levomepromazine maleate","Acta Crystallographica Section E","2016","72","5","612","615","10.1107/S2056989016004916","","","0.71073","MoKα","","0.0602","0.0491","","","0.1244","0.1326","","","","","","1.049","","","","has coordinates,has Fobs","181822","2020-10-21","18:00:00",""
"2241636","12.6926","0.0003","7.3093","0.0002","20.6213","0.0005","90","","100.42","0.004","90","","1881.57","0.09","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","Creatininium 5-(2,4-dinitrophenyl)-1,3-dimethylbarbiturate monohydrate","2-Amino-1-methyl-4-oxo-4,5-dihydro-1<i>H</i>- imidazol-3-ium 5-(2,4-dinitrophenyl)-1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-olate monohydrate","","- C16 H19 N7 O9 -","- C16 H19 N7 O9 -","- C64 H76 N28 O36 -","4","1","SU5291","Poornima Devi, Ponnusamy; Kalaivani, Doraisamyraja","Crystal structure of creatininium 5-(2,4-dinitrophenyl)-1,3-dimethylbarbiturate monohydrate: a potential anticonvulsant agent","Acta Crystallographica Section E","2016","72","5","620","623","10.1107/S2056989016005247","","","0.71073","MoKα","","0.0869","0.0511","","","0.1153","0.1371","","","","","","1.026","","","","has coordinates,has Fobs","181823","2020-10-21","18:00:00",""
"2241637","4.8558","0.0007","5.8496","0.001","8.795","0.0013","76.517","0.013","81.528","0.012","71.392","0.014","229.51","0.07","140","2","140","1","","","","","","","","5","P 1","P 1","1","","Sodium (1<i>S</i>,2<i>S</i>,3<i>S</i>,4<i>R</i>)-1,2,3,4,5-pentahydroxypentane-1-sulfonate","","- C5 H11 Na O8 S -","- C5 H11 Na O8 S -","- C5 H11 Na O8 S -","1","1","SJ5496","Haines, Alan H.; Hughes, David L.","Crystal structure of sodium (1<i>S</i>)-<small>D</small>-lyxit-1-ylsulfonate","Acta Crystallographica Section E","2016","72","5","628","631","10.1107/S2056989016005375","","","0.71073","Mo-Kα","","0.024","0.0226","","","0.059","0.0592","","","","","","1.091","","","","has coordinates,has Fobs","181824","2020-10-21","18:00:00",""
"2241638","14.5383","0.0011","14.5047","0.0011","10.612","0.0008","90","","118.299","0.002","90","","1970.3","0.3","293","","293","","","","","","","","","4","C 1 2/m 1","-C 2y","12","","Tetrasodium heptanickel hexaarsenate","","- As6 Na4 Ni7 O24 -","- As6 Na4 Ni7 O24 -","- As24 Na16 Ni28 O96 -","4","0.5","VN2109","David, Rénald","Synthesis and crystal structure of Na~4~Ni~7~(AsO~4~)~6~","Acta Crystallographica Section E","2016","72","5","632","634","10.1107/S2056989016005417","","","0.71073","MoKα","","0.0592","0.0391","","","0.0509","0.0518","","","","","","2.73","","","","has coordinates,has Fobs","181826","2020-10-21","18:00:00",""
"2241639","18.2226","0.0004","13.7954","0.0005","15.5594","0.0005","90","","90","","90","","3911.4","0.2","90","0.2","90","0.2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","(<i>Z</i>)-5-[2-(Benzo[<i>b</i>]thiophen-2-yl)-1-(3,5-dimethoxyphenyl)ethenyl]-1<i>H</i>-tetrazole methanol monosolvate","","- C20 H20 N4 O3 S -","- C20 H20 N4 O3 S -","- C160 H160 N32 O24 S8 -","8","2","HG5472","Penthala, Narsimha Reddy; Yadlapalli, Jaishankar K. B.; Parkin, Sean; Crooks, Peter A.","Crystal structures of (<i>Z</i>)-5-[2-(benzo[<i>b</i>]thiophen-2-yl)-1-(3,5-dimethoxyphenyl)ethenyl]-1<i>H</i>-tetrazole and (<i>Z</i>)-5-[2-(benzo[<i>b</i>]thiophen-3-yl)-1-(3,4,5-trimethoxyphenyl)ethenyl]-1<i>H</i>-tetrazole","Acta Crystallographica Section E","2016","72","5","652","655","10.1107/S2056989016005600","","","1.54178","CuKα","","0.0432","0.0419","","","0.1075","0.1085","","","","","","1.096","","","","has coordinates,has disorder,has Fobs","181991","2020-10-21","18:00:00",""
"2241640","4.8888","0.0001","24.665","0.0006","15.5956","0.0004","90","","91.031","0.001","90","","1880.25","0.08","90","0.2","90","0.2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(<i>Z</i>)-5-[2-(Benzo[<i>b</i>]thiophen-3-yl)-1-(3,4,5-trimethoxyphenyl)ethenyl]-1<i>H</i>-tetrazole","","- C20 H18 N4 O3 S -","- C20 H18 N4 O3 S -","- C80 H72 N16 O12 S4 -","4","1","HG5472","Penthala, Narsimha Reddy; Yadlapalli, Jaishankar K. B.; Parkin, Sean; Crooks, Peter A.","Crystal structures of (<i>Z</i>)-5-[2-(benzo[<i>b</i>]thiophen-2-yl)-1-(3,5-dimethoxyphenyl)ethenyl]-1<i>H</i>-tetrazole and (<i>Z</i>)-5-[2-(benzo[<i>b</i>]thiophen-3-yl)-1-(3,4,5-trimethoxyphenyl)ethenyl]-1<i>H</i>-tetrazole","Acta Crystallographica Section E","2016","72","5","652","655","10.1107/S2056989016005600","","","1.54178","CuKα","","0.0359","0.0338","","","0.0923","0.0941","","","","","","1.126","","","","has coordinates,has Fobs","181991","2020-10-21","18:00:00",""
"2241641","9.2846","0.0009","9.8777","0.001","10.3624","0.0011","94.364","0.002","113.352","0.0019","92.866","0.002","866.63","0.15","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","(<i>E</i>)-1-(Anthracen-9-yl)-3-(2-chloro-6-fluorophenyl)prop-2-en-1-one","","- C23 H14 Cl F O -","- C23 H14 Cl F O -","- C46 H28 Cl2 F2 O2 -","2","1","HB7569","Abdullah, Amzar Ahlami; Hassan, Nur Hafiq Hanif; Arshad, Suhana; Khalib, Nuridayanti Che; Razak, Ibrahim Abdul","(<i>E</i>)-1-(Anthracen-9-yl)-3-(2-chloro-6-fluorophenyl)prop-2-en-1-one: crystal structure and Hirshfeld surface analysis","Acta Crystallographica Section E","2016","72","5","648","651","10.1107/S2056989016005028","","","0.71073","MoKα","","0.0609","0.0462","","","0.1425","0.1592","","","","","","1.04","","","","has coordinates,has Fobs","181992","2020-10-21","18:00:00",""
"2241642","8.40515","0.00012","21.4397","0.0003","9.48944","0.00014","90","","106.184","0.0015","90","","1642.27","0.04","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Bis(triethanolamine-κ^3^<i>N</i>,<i>O</i>,<i>O</i>')nickel(II) bis(3-hydroxybenzoate) tetrahydrate","","- C26 H48 N2 Ni O16 -","- C26 H48 N2 Ni O16 -","- C52 H96 N4 Ni2 O32 -","2","0.5","WM5282","Ibragimov, Aziz B.","Crystal structure of bis(triethanolamine-κ^3^<i>N</i>,<i>O</i>,<i>O</i>')nickel(II) bis(3-hydroxybenzoate) tetrahydrate","Acta Crystallographica Section E","2016","72","5","643","647","10.1107/S2056989016005521","","","1.54184","CuKα","","0.0417","0.0381","","","0.1108","0.1148","","","","","","1.029","","","","has coordinates,has Fobs","181993","2020-10-21","18:00:00",""
"2241643","7.6051","0.0003","10.0027","0.0004","10.2152","0.0004","78.067","0.003","88.43","0.004","71.746","0.003","721.45","0.05","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","<i>trans</i>-Diaquabis(nicotinamide-κ<i>N</i>^1^)bis(4-nitrobenzoato-κ<i>O</i>)manganese(II)","","- C26 H24 Mn N6 O12 -","- C26 H24 Mn N6 O12 -","- C26 H24 Mn N6 O12 -","1","0.5","IS5449","Aşkın, Gülçin Şefiye; Necefoğlu, Hacali; Tonbul, Ali Murat; Dilek, Nefise; Hökelek, Tuncer","Crystal structure of <i>trans</i>-diaquabis(nicotinamide-κ<i>N</i>^1^)bis(4-nitrobenzoato-κ<i>O</i>)manganese(II)","Acta Crystallographica Section E","2016","72","5","656","658","10.1107/S2056989016005612","","","0.71073","MoKα","","0.0601","0.0582","","","0.1753","0.1775","","","","","","1.167","","","","has coordinates,has Fobs","181994","2020-10-21","18:00:00",""
"2241644","7.3371","0.0004","8.3286","0.0005","13.3819","0.0008","107.577","0.005","97.706","0.005","93.953","0.005","767.32","0.08","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","Acridine‒3-chlorothiophene-2-carboxylic acid (1/1)","","- C18 H12 Cl N O2 S -","- C18 H12 Cl N O2 S -","- C36 H24 Cl2 N2 O4 S2 -","2","1","HG5473","Prajina, Olakkandiyil; Thomas Muthiah, Packianathan; Perdih, Franc","Supramolecular interactions in a 1:1 co-crystal of acridine and 3-chlorothiophene-2-carboxylic acid","Acta Crystallographica Section E","2016","72","5","659","662","10.1107/S2056989016005685","","","0.71073","MoKα","","0.053","0.0381","","","0.0943","0.1091","","","","","","1.021","","","","has coordinates,has Fobs","181995","2020-10-21","18:00:00",""
"2241645","10.1614","0.001","12.0782","0.0012","14.0537","0.0014","90","","95.027","0.002","90","","1718.2","0.3","90","","90","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","5-Aminoisophthalic acid‒1,2-bis(pyridin-4-yl)ethene (1/1)","","- C20 H17 N3 O4 -","- C20 H17 N3 O4 -","- C80 H68 N12 O16 -","4","1","HB7561","McGuire, Scott C.; Travis, Steven C.; Tuohey, Daniel W.; Deering, Thomas J.; Martin, Bob; Cox, Jordan M.; Benedict, Jason B.","Crystal structure of the co-crystal of 5-aminoisophthalic acid and 1,2-bis(pyridin-4-yl)ethene","Acta Crystallographica Section E","2016","72","5","639","642","10.1107/S2056989016005259","","","0.71073","MoKα","","0.0747","0.047","","","0.1247","0.1425","","","","","","1.02","","","","has coordinates,has disorder,has Fobs","181996","2020-10-21","18:00:00",""
"2241646","8.4726","0.0003","23.7748","0.0008","8.0833","0.0003","90","","111.699","0.0017","90","","1512.88","0.09","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","4'-Bromo-2,5-dihydroxy-2',5'-dimethoxy-[1,1'-biphenyl]-3,4-dicarbonitrile","","- C16 H11 Br N2 O4 -","- C16 H11 Br N2 O4 -","- C64 H44 Br4 N8 O16 -","4","1","ZS2361","Meany, Joseph E.; Kelley, Steven P.; Rogers, Robin D.; Woski, Stephen A.","Crystal structure of 4'-bromo-2,5-dihydroxy-2',5'-dimethoxy-[1,1'-biphenyl]-3,4-dicarbonitrile","Acta Crystallographica Section E","2016","72","5","667","670","10.1107/S2056989016005715","","","0.71073","MoKα","","0.0568","0.0354","","","0.0818","0.089","","","","","","1.032","","","","has coordinates,has Fobs","182040","2020-10-21","18:00:00",""
"2241647","10.594","0.002","13.075","0.003","22.384","0.005","90","","100.87","0.03","90","","3044.9","1.2","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","Tris(<i>trans</i>-1,2-cyclohexanediamine-κ^2^<i>N</i>,<i>N</i>')chromium(III) tetrachloridozincate chloride trihydrate","","- C18 H48 Cl5 Cr N6 O3 Zn -","- C18 H48 Cl5 Cr N6 O3 Zn -","- C72 H192 Cl20 Cr4 N24 O12 Zn4 -","4","1","WM5284","Moon, Dohyun; Choi, Jong-Ha","Crystal structure of tris(<i>trans</i>-1,2-cyclohexanediamine-κ^2^<i>N</i>,<i>N</i>')chromium(III) tetrachloridozincate chloride trihydrate from synchrotron data","Acta Crystallographica Section E","2016","72","5","671","674","10.1107/S2056989016005788","","","0.62998","synchrotron","","0.0293","0.0273","","","0.0717","0.0726","","","","","","1.051","","","","has coordinates,has disorder,has Fobs","182041","2020-10-21","18:00:00",""
"2241648","10.0819","0.0004","10.4531","0.0004","23.6016","0.0009","90","","100.607","0.001","90","","2444.8","0.16","100","","100","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","26-(4-Methylphenyl)-8,11,14,17-tetraoxa-28-azatetracyclo[22.3.1.0^2,7^.0^18,23^]hexacosa-2,4,6,18(23),19,21,24(1),25,27-nonaene","","- C30 H29 N O4 -","- C30 H29 N O4 -","- C120 H116 N4 O16 -","4","1","","Tran, T. Thanh Van; Anh, Le Tuan; Nguyen, Hung Huy; Truong, Hong Hieu; Soldatenkov, Anatoly T.","Crystal structure of 26-(4-methylphenyl)-8,11,14,17-tetraoxa-28-azatetracyclo[22.3.1.0^2,7^.0^18,23^]hexacosa-2,4,6,18(23),19,21,24(1),25,27-nonaene","Acta Crystallographica Section E","2016","72","5","663","666","10.1107/S2056989016005752","","","0.71073","MoKα","","0.0539","0.0396","","","0.0919","0.0992","","","","","","1.012","","","","has coordinates,has Fobs","182042","2020-10-21","18:00:00",""
"2241649","7.5071","0.0002","23.6113","0.0008","24.518","0.0008","90","","90","","90","","4345.9","0.2","223","2","223","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","(1<i>S</i>*,2<i>R</i>*)-7-Benzyloxy-2-methyl-3-tosyl-2,3,4,5-tetrahydro-1<i>H</i>-3-benzazepin-1-ol","","- C25 H27 N O4 S -","- C25 H27 N O4 S -","- C200 H216 N8 O32 S8 -","8","1","SU5286","Tewes, Bastian; Frehland, Bastian; Fröhlich, Roland; Wünsch, Bernhard","Crystal structure of (1<i>S</i>*,2<i>R</i>*)-7-benzyloxy-2-methyl-3-tosyl-2,3,4,5-tetrahydro-1<i>H</i>-3-benzazepin-1-ol: elucidation of the relative configuration of potent allosteric GluN2B selective NMDA receptor antagonists","Acta Crystallographica Section E","2016","72","5","683","686","10.1107/S2056989016005855","","","1.54178","CuKα","","0.0625","0.0576","","","0.1467","0.1506","","","","","","1.101","","","","has coordinates,has Fobs","182291","2020-10-21","18:00:00",""
"2241650","9.698","0.002","8.8127","0.0019","10.133","0.002","90","","92.248","0.003","90","","865.4","0.3","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","(5<i>R</i>)-5-ethylamino-3-(3-methoxypropyl)-2,2-dioxo-2,9-dithia-3-azabicyclo[4.3.0]nona-1(6)7-diene-8-sulfonamide","","- C12 H21 N3 O5 S3 -","- C12 H21 N3 O5 S3 -","- C24 H42 N6 O10 S6 -","2","1","SU5292","Zheng, Huirong; Lou, Benyong","Crystal structure of Brinzolamide: a carbonic anhydrase inhibitor","Acta Crystallographica Section E","2016","72","5","692","695","10.1107/S2056989016006022","","","0.71073","MoKα","","0.0222","0.0217","","","0.0583","0.0588","","","","","","1.035","","","","has coordinates,has Fobs","182292","2020-10-21","18:00:00",""
"2241651","10.3594","0.0002","18.8246","0.0004","10.9981","0.0003","90","","117.889","0.001","90","","1895.65","0.08","223","2","223","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","(1<i>S</i>*,2<i>R</i>*)-7-Methoxy-2-methyl-3-(4-phenylbutyl)-2,3,4,5-tetrahydro-1<i>H</i>-3-benzazepin-1-ol","","- C22 H29 N O2 -","- C22 H29 N O2 -","- C88 H116 N4 O8 -","4","1","SU5285","Tewes, Bastian; Frehland, Bastian; Fröhlich, Roland; Wünsch, Bernhard","Novel GluN2B selective NMDA receptor antagonists: relative configuration of 7-methoxy-2-methyl-2,3,4,5-tetrahydro-1<i>H</i>-3-benzazepin-1-ols","Acta Crystallographica Section E","2016","72","5","687","691","10.1107/S2056989016005843","","","1.54178","CuKα","","0.0476","0.0449","","","0.1151","0.1176","","","","","","1.036","","","","has coordinates","182293","2020-10-21","18:00:00",""
"2241652","9.2049","0.0005","25.4468","0.0017","8.2451","0.0006","90","","90","","90","","1931.3","0.2","223","2","223","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","(1<i>R</i>*,2<i>R</i>*)-7-Methoxy-2-methyl-3-(4-phenylbutyl)-2,3,4,5-tetrahydro-1<i>H</i>-3-benzazepin-1-ol","","- C22 H29 N O2 -","- C22 H29 N O2 -","- C88 H116 N4 O8 -","4","1","SU5285","Tewes, Bastian; Frehland, Bastian; Fröhlich, Roland; Wünsch, Bernhard","Novel GluN2B selective NMDA receptor antagonists: relative configuration of 7-methoxy-2-methyl-2,3,4,5-tetrahydro-1<i>H</i>-3-benzazepin-1-ols","Acta Crystallographica Section E","2016","72","5","687","691","10.1107/S2056989016005843","","","1.54178","CuKα","","0.1254","0.0873","","","0.196","0.2314","","","","","","1.254","","","","has coordinates","182293","2020-10-21","18:00:00",""
"2241653","12.4525","0.0009","5.736","0.0004","12.5896","0.0009","90","","116.081","0.006","90","","807.68","0.11","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","6-Isopropyl-3-(2-nitro-1-phenylethyl)-1<i>H</i>-indole","","- C19 H20 N2 O2 -","- C19 H20 N2 O2 -","- C38 H40 N4 O4 -","2","1","PK2578","Kerr, Jamie R.; Trembleau, Laurent; Storey, John M. D.; Wardell, James L.; Harrison, William T. A.","Different N—H···π interactions in two indole derivatives","Acta Crystallographica Section E","2016","72","5","699","703","10.1107/S2056989016006162","","","0.71073","MoKα","","0.15","0.0813","","","0.1359","0.1636","","","","","","1.121","","","","has coordinates,has Fobs","182294","2020-10-21","18:00:00",""
"2241654","9.2014","0.0005","9.4543","0.0007","21.6201","0.0014","98.563","0.004","93.416","0.004","98.354","0.004","1833.7","0.2","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","2-(4-Methoxyphenyl)-3-(2-nitro-1-phenylethyl)-1<i>H</i>-indole","","- C23 H20 N2 O3 -","- C23 H20 N2 O3 -","- C92 H80 N8 O12 -","4","2","PK2578","Kerr, Jamie R.; Trembleau, Laurent; Storey, John M. D.; Wardell, James L.; Harrison, William T. A.","Different N—H···π interactions in two indole derivatives","Acta Crystallographica Section E","2016","72","5","699","703","10.1107/S2056989016006162","","","0.71073","MoKα","","0.062","0.0457","","","0.1146","0.1235","","","","","","1.028","","","","has coordinates,has Fobs","182294","2020-10-21","18:00:00",""
"2241655","11.0909","0.0001","12.9169","0.0001","13.7931","0.0001","78.333","0.003","81.162","0.004","74.179","0.003","1851.66","0.04","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","Aqua(5,10,15,20-tetraphenylporphyrinato-κ^4^<i>N</i>)manganese(III) trifluoromethanesulfonate","","- C45 H30 F3 Mn N4 O4 S -","- C45 H30 F3 Mn N4 O4 S -","- C90 H60 F6 Mn2 N8 O8 S2 -","2","1","WM5285","Harhouri, Wafa; Mchiri, Chadlia; Najmudin, Shabir; Bonifácio, Cecilia; Nasri, Habib","Synthesis, FT‒IR characterization and crystal structure of aqua(5,10,15,20-tetraphenylporphyrinato-κ^4^<i>N</i>)manganese(III) trifluoromethanesulfonate","Acta Crystallographica Section E","2016","72","5","720","723","10.1107/S2056989016006630","","","0.71073","MoKα","","0.0513","0.0358","","","0.0796","0.0855","","","","","","1.049","","","","has coordinates,has Fobs","182295","2020-10-21","18:00:00",""
"2241656","9.0832","0.0013","11.1072","0.0013","13.9564","0.0017","90","","102.027","0.003","90","","1377.1","0.3","294","2","294","2","","","","","","","","5","C 1 c 1","C -2yc","9","","(<i>E</i>)-3- (2-Chloro-6-fluorophenyl)-1-(3-fluoro-4-methoxyphenyl)prop-2-en-1-one","","- C16 H11 Cl F2 O2 -","- C16 H11 Cl F2 O2 -","- C64 H44 Cl4 F8 O8 -","4","1","HB7578","Hassan, Nur Hafiq Hanif; Abdullah, Amzar Ahlami; Arshad, Suhana; Khalib, Nuridayanti Che; Razak, Ibrahim Abdul","Crystal structure and Hirshfeld surface analysis of (<i>E</i>)-3-(2-chloro-6-fluorophenyl)-1-(3-fluoro-4-methoxyphenyl)prop-2-en-1-one","Acta Crystallographica Section E","2016","72","5","716","719","10.1107/S2056989016006526","","","0.71073","MoKα","","0.0538","0.0386","","","0.1051","0.1159","","","","","","1.046","","","","has coordinates,has Fobs","182296","2020-10-21","18:00:00",""
"2241657","6.74","0.005","7.514","0.007","9.81","0.002","84.46","0.03","78.15","0.04","88.57","0.06","484","0.6","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","<i>catena</i>-Poly[guanidinium [[aquachloridomanganese(II)]-μ~2~-oxalato-κ^4^<i>O</i>^1^,<i>O</i>^2^:<i>O</i>^1'^,<i>O</i>^2'^] monohydrate]","","- C3 H10 Cl Mn N3 O6 -","- C3 H10 Cl Mn N3 O6 -","- C6 H20 Cl2 Mn2 N6 O12 -","2","1","ZL2659","Sehimi, Hiba; Chérif, Ichraf; Zid, Mohamed Faouzi","Crystal structure and spectroscopic analysis of a new oxalate-bridged Mn^II^ compound: <i>catena</i>-poly[guanidinium [[aquachloridomanganese(II)]-μ~2~-oxalato-κ^4^<i>O</i>^1^,<i>O</i>^2^:<i>O</i>^1'^,<i>O</i>^2'^] monohydrate]","Acta Crystallographica Section E","2016","72","5","724","729","10.1107/S2056989016006605","","","0.71073","MoKα","","0.025","0.0237","","","0.0639","0.0647","","","","","","1.1","","","","has coordinates,has disorder,has Fobs","182297","2020-10-21","18:00:00",""
"2241658","9.831","0.0009","5.274","0.0006","13.617","0.002","90","","90.334","0.008","90","","706.01","0.15","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Silver sodium iron(III) bis[molybdate(VI)]","","- Ag0.6 Fe Mo2 Na0.4 O8 -","- Ag0.597 Fe Mo2 Na0.403 O8 -","- Ag2.388 Fe4 Mo8 Na1.612 O32 -","4","0.5","VN2110","Souilem, Amira; Zid, Mohamed Faouzi","Synthèse, étude et validation structurale d'un triple bis-molybdate en couches, Ag~0.60~Na~0.40~Fe(MoO~4~)~2~ lié à yavapaiite","Acta Crystallographica Section E","2016","72","5","737","740","10.1107/S2056989016006654","","","0.71073","MoKα","","0.0268","0.0254","","","0.0709","0.0717","","","","","","1.146","","","","has coordinates,has Fobs","182298","2020-10-21","18:00:00",""
"2241659","8.4259","0.0004","11.4264","0.0007","45.706","0.002","90","","90","","90","","4400.5","0.4","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","canagliflozin","(2<i>S</i>,3<i>R</i>,4<i>R</i>,5<i>S</i>,6<i>R</i>)-2-(3-{[5-(4-Fluorophenyl)thiophen-2-yl]methyl}-4-methylphenyl)-6-(hydroxymethyl)-3,4,5,6-tetrahydro-2<i>H</i>-pyran-3,4,5-triol hemihydrate","","- C24 H26 F O5.5 S -","- C24 H26 F O5.5 S -","- C192 H208 F8 O44 S8 -","8","2","XU5886","Liu, Kai-Hang; Gu, Jian-Ming; Hu, Xiu-Rong; Tang, Gu-Ping","Crystal structure of canagliflozin hemihydrate","Acta Crystallographica Section E","2016","72","5","734","736","10.1107/S2056989016006769","","","0.71073","MoKα","","0.1699","0.08","","","0.1166","0.1465","","","","","","0.999","","","","has coordinates,has Fobs","188723","2020-10-21","18:00:00",""
"2241660","7.3722","0.001","8.7235","0.0007","11.7032","0.0015","69.263","0.01","87.519","0.011","69.113","0.01","654.66","0.15","173","2","173","2","","","","","","","","3","P -1","-P 1","2","","4-Methyl-2-oxo-2<i>H</i>-chromene-7,8-diyl diacetate","","- C14 H12 O6 -","- C14 H12 O6 -","- C28 H24 O12 -","2","1","HG5471","Akinyemi, Akintunde; Thomas, Courtney; Marsh, Willis; Butcher, Ray J.; Jasinski, Jerry P.; Maynard-Smith, Lystranne A.","Crystal structures of 4-methyl-2-oxo-2<i>H</i>-chromene-7,8-diyl diacetate and 4-methyl-2-oxo-2<i>H</i>-chromene-7,8-diyl bis(pent-4-ynoate)","Acta Crystallographica Section E","2016","72","5","704","708","10.1107/S2056989016005892","","","0.71073","MoKα","","0.0779","0.0545","","","0.1352","0.1555","","","","","","1.038","","","","has coordinates,has disorder,has Fobs","182300","2020-10-21","18:00:00",""
"2241661","5.2785","0.0003","16.3785","0.0008","20.0502","0.0011","90","","95.992","0.002","90","","1723.95","0.16","200","2","200","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","4-Methyl-2-oxo-2<i>H</i>-chromene-7,8-diyl bis(pent-4-ynoate)","","- C20 H16 O6 -","- C20 H16 O6 -","- C80 H64 O24 -","4","1","","Akinyemi, Akintunde; Thomas, Courtney; Marsh, Willis; Butcher, Ray J.; Jasinski, Jerry P.; Maynard-Smith, Lystranne A.","Crystal structures of 4-methyl-2-oxo-2<i>H</i>-chromene-7,8-diyl diacetate and 4-methyl-2-oxo-2<i>H</i>-chromene-7,8-diyl bis(pent-4-ynoate)","Acta Crystallographica Section E","2016","72","5","704","708","10.1107/S2056989016005892","","","0.71073","MoKα","","0.0847","0.0571","","","0.1275","0.1417","","","","","","1.067","","","","has coordinates,has disorder,has Fobs","182300","2020-10-21","18:00:00",""
"2241662","22.3351","0.0018","5.0467","0.0004","14.2265","0.001","90","","99.956","0.007","90","","1579.4","0.2","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","<i>N</i>-(6-Hydroxyhexyl)-3,4,5-trimethoxybenzamide","","- C16 H25 N O5 -","- C16 H25 N O5 -","- C64 H100 N4 O20 -","4","1","HB7575","Gomes, Ligia R.; Low, John Nicolson; Oliveira, Catarina; Cagide, Fernando; Borges, Fernanda","Crystal structures of three 3,4,5-trimethoxybenzamide-based derivatives","Acta Crystallographica Section E","2016","72","5","675","682","10.1107/S2056989016005958","","","0.71073","MoKα","","0.1405","0.0622","","","0.1065","0.1328","","","","","","0.966","","","","has coordinates,has Fobs","182301","2020-10-21","18:00:00",""
"2241663","11.5626","0.0008","19.5328","0.0009","9.5488","0.0007","90","","109.369","0.008","90","","2034.5","0.2","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","<i>N</i>-(6-Anilinohexyl)-3,4,5-trimethoxybenzamide","","- C22 H30 N2 O4 -","- C22 H30 N2 O4 -","- C88 H120 N8 O16 -","4","1","HB7575","Gomes, Ligia R.; Low, John Nicolson; Oliveira, Catarina; Cagide, Fernando; Borges, Fernanda","Crystal structures of three 3,4,5-trimethoxybenzamide-based derivatives","Acta Crystallographica Section E","2016","72","5","675","682","10.1107/S2056989016005958","","","0.71075","MoKα","","0.0535","0.0413","","","0.099","0.1048","","","","","","1.041","","","","has coordinates,has Fobs","182301","2020-10-21","18:00:00",""
"2241664","24.6345","0.0018","8.4646","0.0005","10.0598","0.0007","90","","100.851","0.002","90","","2060.2","0.2","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","<i>N</i>-(6,6-Diethoxyhexyl)-3,4,5-trimethoxybenzamide","","- C20 H33 N O6 -","- C20 H33 N O6 -","- C80 H132 N4 O24 -","4","1","HB7575","Gomes, Ligia R.; Low, John Nicolson; Oliveira, Catarina; Cagide, Fernando; Borges, Fernanda","Crystal structures of three 3,4,5-trimethoxybenzamide-based derivatives","Acta Crystallographica Section E","2016","72","5","675","682","10.1107/S2056989016005958","","","1.5418","CuKα","","0.0384","0.0349","","","0.0921","0.095","","","","","","1.046","","","","has coordinates,has Fobs","182301","2020-10-21","18:00:00",""
"2241665","27.1825","0.0005","8.53737","0.00013","26.0667","0.0005","90","","100.844","0.0017","90","","5941.2","0.19","298","","298","","","","","","","","","7","I 1 2/a 1","-I 2ya","15","","Bis(ethylenedithio)tetrathiafulvalenium μ~2~-acetato-bis[tribromidorhenate(III)] 1,1,2-trichloroethane hemisolvate","","- C13 H12.5 Br6 Cl1.5 O2 Re2 S8 -","- C13 H12.5 Br6 Cl1.5 O2 Re2 S8 -","- C104 H100 Br48 Cl12 O16 Re16 S64 -","8","1","RZ5188","Golichenko, Alexander A.; Kravchenko, Andrey V.; Omelchenko, Irina V.; Chudak, Denis M.; Starodub, Vladimir A.; Barszcz, Boleslaw; Shtemenko, Alexander V.","Crystal structure of bis(ethylenedithio)tetrathiafulvalenium μ~2~-acetato-bis[tribromidorhenate(III)] 1,1,2-trichloroethane hemisolvate","Acta Crystallographica Section E","2016","72","5","712","715","10.1107/S2056989016006058","","","0.71073","MoKα","","0.0555","0.0521","","","0.1357","0.1373","","","","","","1.136","","","","has coordinates,has disorder,has Fobs","182302","2020-10-21","18:00:00",""
"2241666","9.6745","0.0003","13.9432","0.0006","23.3654","0.001","90","","90","","90","","3151.8","0.2","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(1<i>S</i>,3<i>R</i>,8<i>R</i>,10<i>S</i>)-2,2-Dichloro-10-hydroxy-3,7,7,10-tetramethyltricyclo[6.4.0.0^1,3^]dodecan-9-one","","- C16 H24 Cl2 O2 -","- C16 H24 Cl2 O2 -","- C128 H192 Cl16 O16 -","8","2","","Benzalim, Ahmed; Auhmani, Aziz; Ait Itto, My Youssef; Daran, Jean-Claude; Abdelwahed, Auhmani","Crystal structure of (1<i>S</i>,3<i>R</i>,8<i>R</i>,10<i>S</i>)-2,2-dichloro-10-hydroxy-3,7,7,10-tetramethyltricyclo[6.4.0.0^1,3^]dodecan-9-one","Acta Crystallographica Section E","2016","72","5","709","711","10.1107/S2056989016006174","","","0.71073","MoKα","","0.0617","0.0524","","","0.1262","0.1342","","","","","","1.065","","","","has coordinates,has disorder,has Fobs","182303","2020-10-21","18:00:00",""
"2241667","8.9497","0.0006","11.0906","0.0006","14.2608","0.0009","90","","90","","90","","1415.49","0.15","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","Hydromorphone form I","(4<i>R</i>,4a<i>R</i>,7a<i>R</i>,12b<i>S</i>)-9-Hydroxy-3-methyl-1,2,4,4a,5,6,7a,13-octahydro-4,12-methanobenzofuro[3,2-<i>e</i>]isoquinolin-7-one]","","- C17 H19 N O3 -","- C17 H19 N O3 -","- C68 H76 N4 O12 -","4","1","GK2659","Mazurek, Jaroslaw; Hoffmann, Marcel; Fernandez Casares, Ana; Cox, D. Phillip; Minardi, Mathew D.; Sasine, Josh","Two orthorhombic polymorphs of hydromorphone","Acta Crystallographica Section E","2016","72","5","730","733","10.1107/S2056989016006563","","","0.71073","MoKα","","0.0486","0.0416","","","0.0914","0.0959","","","","","","1.051","","","","has coordinates,has Fobs","182304","2020-10-21","18:00:00",""
"2241668","8.8802","0.0006","10.6208","0.0008","14.4733","0.0009","90","","90","","90","","1365.05","0.16","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","Hydromorphone Form II","(4R,4aR,7aR,12bS)-9-hydroxy-3-methyl-1,2,4,4a,5,6,7a,13-octahydro-4,12-methanobenzofuro[3,2-e]isoquinoline-7-one","","- C17 H19 N O3 -","- C17 H19 N O3 -","- C68 H76 N4 O12 -","4","1","GK2659","Mazurek, Jaroslaw; Hoffmann, Marcel; Fernandez Casares, Ana; Cox, D. Phillip; Minardi, Mathew D.; Sasine, Josh","Two orthorhombic polymorphs of hydromorphone","Acta Crystallographica Section E","2016","72","5","730","733","10.1107/S2056989016006563","","","0.71073","MoKα","","0.0354","0.0333","","","0.0926","0.0947","","","","","","1.073","","","","has coordinates,has Fobs","182304","2020-10-21","18:00:00",""
"2241669","15.2183","0.0006","20.081","0.0008","15.3652","0.0006","90","","90.544","0.001","90","","4695.4","0.3","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","3-Benzamido-1-(4-nitrobenzyl)quinolinium trifluoromethanesulfonate","","- C24 H18 F3 N3 O6 S -","- C24 H18 F3 N3 O6 S -","- C192 H144 F24 N24 O48 S8 -","8","2","HG5469","Nicolas-Gomez, Mariana; Bazany-Rodríguez, Iván J.; Plata-Vargas, Eduardo; Hernández-Ortega, Simón; Dorazco-González, Alejandro","Crystal structure of 3-benzamido-1-(4-nitrobenzyl)quinolinium trifluoromethanesulfonate","Acta Crystallographica Section E","2016","72","5","747","750","10.1107/S2056989016006423","","","0.71073","MoKα","","0.1298","0.0458","","","0.0842","0.1103","","","","","","0.854","","","","has coordinates,has disorder,has Fobs","182414","2020-10-21","18:00:00",""
"2241670","7.6553","0.0003","12.3238","0.0005","31.96","0.002","90","","90","","90","","3015.2","0.3","200","1","200","1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","brucinium <i>p</i>-arsanilate tetrahydrate","2,3-Dimethoxy-10-oxostrychnidinium 4-aminophenylarsonate tetrahydrate","","- C29 H42 As N3 O11 -","- C29 H42 As N3 O11 -","- C116 H168 As4 N12 O44 -","4","1","LH5811","Smith, Graham; Wermuth, Urs D.","Crystal structure and hydrogen bonding in the water-stabilized proton-transfer salt brucinium 4-aminophenylarsonate tetrahydrate","Acta Crystallographica Section E","2016","72","5","751","755","10.1107/S2056989016006691","","","0.71073","MoKα","","0.0558","0.048","","","0.0904","0.0957","","","","","","1.048","","","","has coordinates,has Fobs","182415","2020-10-21","18:00:00",""
"2241671","8.2102","0.0003","9.9513","0.0003","8.748","0.0003","90","","108.142","0.002","90","","679.2","0.04","90","","90","","","","","","","","","4","P 1 21 1","P 2yb","4","","(+)-<i>N</i>-[(1<i>R</i>,5<i>S</i>,6<i>S</i>,9<i>S</i>)-5-Hydroxymethyl-3,3,9-trimethyl-8-oxo-2,4,7-trioxabicyclo[4.3.0]nonan-9-yl]acetamide","","- C12 H19 N O6 -","- C12 H19 N O6 -","- C24 H38 N2 O12 -","2","1","IS5451","Oishi, Takeshi; Tsuzaki, Shun; Sugai, Tomoya; Sato, Takaaki; Chida, Noritaka","Crystal structure of (+)-<i>N</i>-[(1<i>R</i>,5<i>S</i>,6<i>S</i>,9<i>S</i>)-5-hydroxymethyl-3,3,9-trimethyl-8-oxo-2,4,7-trioxabicyclo[4.3.0]nonan-9-yl]acetamide","Acta Crystallographica Section E","2016","72","5","756","759","10.1107/S2056989016006800","","","1.54178","CuKα","","0.037","0.0323","","","0.0651","0.0678","","","","","","1.002","","","","has coordinates,has Fobs","182416","2020-10-21","18:00:00",""
"2241672","9.47","0.004","12.351","0.005","13.575","0.005","90","","94.327","0.005","90","","1583.3","1.1","100","2","100","2","","","","","","","","5","P 1 n 1","P -2yac","7","","Poly[bis(ammonium) [bis(μ~4~-benzene-1,3,5-tricarboxylato)dizincate] 1-methylpyrrolidin-2-one disolvate]","","- C28 H32 N4 O14 Zn2 -","- C28 H32 N4 O14 Zn2 -","- C56 H64 N8 O28 Zn4 -","2","1","ZL2661","Ordonez, Carlos; Fonari, Marina S.; Wei, Qiang; Timofeeva, Tatiana V.","Crystal structure of poly[bis(ammonium) [bis(μ~4~-benzene-1,3,5-tricarboxylato)dizincate] 1-methylpyrrolidin-2-one disolvate]","Acta Crystallographica Section E","2016","72","5","764","767","10.1107/S2056989016007027","","","0.71073","MoKα","","0.0408","0.033","","","0.0639","0.0676","","","","","","0.994","","","","has coordinates,has disorder,has Fobs","182417","2020-10-21","18:00:00",""
"2241673","10.22","0.003","15.468","0.005","19.151","0.006","90","","92.15","0.005","90","","3025.3","1.6","297","2","297","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Bis(acetophenone 4-benzoylthiosemicarbazonato-κ^2^<i>N</i>^1^,<i>S</i>)nickel(II)","","- C32 H28 N6 Ni O2 S2 -","- C32 H28 N6 Ni O2 S2 -","- C128 H112 N24 Ni4 O8 S8 -","4","1","PJ2029","Karim, Faraidoon Karim; Shamsuddin, Mustaffa; Rosli, Mohd Mustaqim","Crystal structure of bis(acetophenone 4-benzoylthiosemicarbazonato-κ^2^<i>N</i>^1^,<i>S</i>)nickel(II)","Acta Crystallographica Section E","2016","72","5","760","763","10.1107/S2056989016006873","","","0.71073","MoKα","","0.0665","0.0478","","","0.0928","0.0997","","","","","","1.048","","","","has coordinates,has Fobs","182418","2020-10-21","18:00:00",""
"2241674","6.869","0.0009","11.9405","0.0016","14.2731","0.0017","104.107","0.004","99.695","0.004","92.235","0.004","1115.2","0.2","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","Tetramethylammonium (2,2'-bipyridine-κ^2^<i>N</i>,<i>N</i>')tetracyanidoferrate(III) trihydrate","","- C18 H26 Fe N7 O3 -","- C18 H26 Fe N7 O3 -","- C36 H52 Fe2 N14 O6 -","2","1","BG2584","Chanthee, Songwuit; Punyain, Wikorn; Namuangrak, Supawadee; Chainok, Kittipong","Crystal structures of tetramethylammonium (2,2'-bipyridine)tetracyanidoferrate(III) trihydrate and poly[[(2,2'-bipyridine-κ^2^<i>N</i>,<i>N</i>')di-μ~2~-cyanido-dicyanido(μ-ethylenediamine)(ethylenediamine-κ^2^<i>N</i>,<i>N</i>')cadmium(II)iron(II)] monohydrate]","Acta Crystallographica Section E","2016","72","5","741","746","10.1107/S2056989016006848","","","0.71073","MoKα","","0.0794","0.0526","","","0.1277","0.1417","","","","","","1.04","","","","has coordinates,has disorder,has Fobs","182419","2020-10-21","18:00:00",""
"2241675","7.4184","0.0014","28.534","0.005","11.094","0.002","90","","109.143","0.006","90","","2218.5","0.7","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","Poly[[(2,2'-bipyridine-κ^2^<i>N</i>,<i>N</i>')di-μ~2~-cyanido-dicyanido(μ-ethylenediamine)(ethylenediamine-κ^2^<i>N</i>,<i>N</i>')cadmium(II)iron(II)] monohydrate]","","- C18 H26 Cd Fe N10 O -","- C18 H26 Cd Fe N10 O -","- C72 H104 Cd4 Fe4 N40 O4 -","4","0.5","BG2584","Chanthee, Songwuit; Punyain, Wikorn; Namuangrak, Supawadee; Chainok, Kittipong","Crystal structures of tetramethylammonium (2,2'-bipyridine)tetracyanidoferrate(III) trihydrate and poly[[(2,2'-bipyridine-κ^2^<i>N</i>,<i>N</i>')di-μ~2~-cyanido-dicyanido(μ-ethylenediamine)(ethylenediamine-κ^2^<i>N</i>,<i>N</i>')cadmium(II)iron(II)] monohydrate]","Acta Crystallographica Section E","2016","72","5","741","746","10.1107/S2056989016006848","","","0.71073","MoKα","","0.0249","0.0195","","","0.0441","0.0463","","","","","","1.065","","","","has coordinates,has Fobs","182419","2020-10-21","18:00:00",""
"2241676","10.5631","0.0007","7.0296","0.0004","20.371","0.0013","90","","90.6447","0.0011","90","","1512.54","0.16","100","2","100","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","<i>catena</i>-Poly[[(dimethyl sulfoxide-κ<i>O</i>)(pyridine-2,6-dicarboxylato-κ^3^<i>O</i>,<i>N</i>,<i>O</i>')nickel(II)]-μ-pyrazine-κ^2^<i>N</i>:<i>N</i>']","","- C13 H13 N3 Ni O5 S -","- C13 H13 N3 Ni O5 S -","- C52 H52 N12 Ni4 O20 S4 -","4","1","WM5288","Liu, Chen; Thuijs, Annaliese E.; Felts, Ashley C.; Ballouk, Hamza F.; Abboud, Khalil A.","Crystal structure of <i>catena</i>-poly[[(dimethyl sulfoxide-κ<i>O</i>)(pyridine-2,6-dicarboxylato-κ^3^<i>O</i>,<i>N</i>,<i>O</i>')nickel(II)]-μ-pyrazine-κ^2^<i>N</i>:<i>N</i>']","Acta Crystallographica Section E","2016","72","5","768","771","10.1107/S2056989016007064","","","0.71073","MoKα","","0.0215","0.0201","","","0.0527","0.0551","","","","","","1.065","","","","has coordinates,has disorder,has Fobs","182420","2020-10-21","18:00:00",""
"2241677","8.8839","0.0018","10.591","0.002","12.7","0.003","96.75","0.04","108.93","0.03","99.15","0.03","1097.5","0.5","100","2","100","","","","","","","","","7","P -1","-P 1","2","","Tetrakis[μ~2~-bis(trimethylsilyl)amido]-μ~4~-oxido-dicobalt(II)disodium","","- C24 H72 Co2 N4 Na2 O Si8 -","- C24 H72 Co2 N4 Na2 O Si8 -","- C24 H72 Co2 N4 Na2 O Si8 -","1","0.5","WM5287","Hansen, Christopher B.; Filatov, Alexander S.; Hillhouse, Gregory L.","Crystal structure of the inverse crown ether tetrakis[μ~2~-bis(trimethylsilyl)amido]-μ~4~-oxido-dicobalt(II)disodium, [Co~2~Na~2~{μ~2~-N(SiMe~3~)~2~}~4~](μ~4~-O)","Acta Crystallographica Section E","2016","72","6","780","784","10.1107/S2056989016006861","","","0.71073","MoKα","","0.091","0.0646","","","0.1402","0.1535","","","","","","1.025","","","","has coordinates,has Fobs","182565","2020-10-21","18:00:00",""
"2241678","12.841","0.001","6.0989","0.0005","15.9642","0.0009","90","","125.791","0.004","90","","1014.15","0.14","150","","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","<i>m</i>-Xylylenediaminium sulfate","[1,3-Phenylenebis(methylene)]bis(azanium) sulfate","","- C8 H14 N2 O4 S -","- C8 H14 N2 O4 S -","- C32 H56 N8 O16 S4 -","4","1","HB7579","Guesmi, Afef; Gatfaoui, Sofian; Roisnel, Thierry; Marouani, Houda","<i>m</i>-Xylylenediaminium sulfate: crystal structure and Hirshfeld surface analysis","Acta Crystallographica Section E","2016","72","6","776","779","10.1107/S2056989016006940","","","0.71073","MoKα","","0.0402","0.0379","","","0.1113","0.1135","","","","","","1.143","","","","has coordinates,has Fobs","182569","2020-10-21","18:00:00",""
"2241679","8.0592","0.0017","8.611","0.002","10.17","0.002","104.148","0.007","96.778","0.006","98.132","0.006","668.9","0.2","100","","100","","","","","","","","","6","P -1","-P 1","2","","Bis[μ-2-(diisopropylphosphoryl)propan-2-olato-κ^3^<i>O</i>^1^,<i>O</i>^2^:<i>O</i>^1^]bis[chloridooxidovanadium(IV)]","","- C18 H40 Cl2 O6 P2 V2 -","- C18 H40 Cl2 O6 P2 V2 -","- C18 H40 Cl2 O6 P2 V2 -","1","0.5","","Glatz, Mathias; Stöger, Berthold; Weil, Matthias; Kirchner, Karl","Crystal structure of bis[μ-2-(diisopropylphosphoryl)propan-2-olato-κ^3^<i>O</i>^1^,<i>O</i>^2^:<i>O</i>^1^]bis[chloridooxidovanadium(IV)]","Acta Crystallographica Section E","2016","72","6","785","788","10.1107/S2056989016007362","","","0.71073","MoKα","","0.0727","0.0401","","","0.0424","0.0444","","","","","","1.53","","","","has coordinates,has Fobs","182821","2020-10-21","18:00:00",""
"2241680","12.3401","0.0011","6.5421","0.0006","16.135","0.0014","90","","92.1159","0.001","90","","1301.7","0.2","173","2","173.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Phenyl 2,4,5-trichlorobenzenesulfonate","","- C12 H7 Cl3 O3 S -","- C12 H7 Cl3 O3 S -","- C48 H28 Cl12 O12 S4 -","4","1","SU5297","Riley, Sean; Staples, Richard J.; Biros, Shannon M.; Ngassa, Felix N.","Crystal structure of phenyl 2,4,5-trichlorobenzenesulfonate","Acta Crystallographica Section E","2016","72","6","789","792","10.1107/S2056989016007325","","","0.71073","MoKα","","0.0381","0.0312","","","0.0767","0.0834","","","","","","1.055","","","","has coordinates,has Fobs","182822","2020-10-21","18:00:00",""
"2241681","10.309","0.002","10.391","0.002","10.566","0.002","69.598","0.002","75.79","0.002","61.445","0.002","927.5","0.3","293","","293","","","","","","","","","5","P -1","-P 1","2","","(<i>E</i>)-3-(Furan-2-yl)-<i>N</i>-(4-methylphenylsulfonyl)-2-phenylacrylamide","","- C20 H17 N O4 S -","- C20 H17 N O4 S -","- C40 H34 N2 O8 S2 -","2","1","SU5296","Cheng, Dong; Meng, Xiangzhen; Sheng, Zeyuan; Wang, Shuangming; Duan, Yuanyuan; Li, Ziqian","Crystal structures of (<i>E</i>)-3-(furan-2-yl)-2-phenyl-<i>N</i>-tosylacrylamide and (<i>E</i>)-3-phenyl-2-(<i>m</i>-tolyl)-<i>N</i>-tosylacrylamide","Acta Crystallographica Section E","2016","72","6","797","800","10.1107/S2056989016007611","","","0.71073","MoKα","","0.0374","0.0351","","","0.0996","0.1022","","","","","","1.042","","","","has coordinates","182857","2020-10-21","18:00:00",""
"2241682","9.2595","0.001","10.1158","0.0011","11.9271","0.0012","72.396","0.001","67.518","0.001","79.346","0.001","980.89","0.18","293","","293","","","","","","","","","5","P -1","-P 1","2","","(<i>E</i>)-2-(3-Methylphenyl)-<i>N</i>-(4-methylphenylsulfonyl)-3-phenylacrylamide","","- C23 H21 N O3 S -","- C23 H21 N O3 S -","- C46 H42 N2 O6 S2 -","2","1","SU5296","Cheng, Dong; Meng, Xiangzhen; Sheng, Zeyuan; Wang, Shuangming; Duan, Yuanyuan; Li, Ziqian","Crystal structures of (<i>E</i>)-3-(furan-2-yl)-2-phenyl-<i>N</i>-tosylacrylamide and (<i>E</i>)-3-phenyl-2-(<i>m</i>-tolyl)-<i>N</i>-tosylacrylamide","Acta Crystallographica Section E","2016","72","6","797","800","10.1107/S2056989016007611","","","0.71073","MoKα","","0.0436","0.04","","","0.0991","0.1029","","","","","","1.002","","","","has coordinates","182857","2020-10-21","18:00:00",""
"2241683","11.5415","0.0007","15.2747","0.0009","19.9663","0.0012","88.425","0.002","75.894","0.002","69.65","0.002","3194.4","0.3","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","[Tris(pyridin-2-ylmethyl)amine-κ^4^<i>N</i>]copper(II) bromide","","- C18 H18 Br2 Cu N4 -","- C18 H18 Br2 Cu N4 -","- C108 H108 Br12 Cu6 N24 -","6","3","LH5812","Bridgman, Emma C.; Doherty, Megan M.; Ellis, Kaleigh A.; Homer, Elizabeth A.; Lashbrook, Taylor N.; Mraz, Margaret E.; Pernesky, Gina C.; Vreeke, Emma M.; Oshin, Kayode D.; Oliver, Allen G.","Crystal structure of [tris(pyridin-2-ylmethyl)amine-κ^4^<i>N</i>]copper(II) bromide","Acta Crystallographica Section E","2016","72","6","801","804","10.1107/S2056989016007568","","","0.71073","MoKα","","0.1008","0.0856","","","0.2428","0.2538","","","","","","1.036","","","","has coordinates,has disorder,has Fobs","182858","2020-10-21","18:00:00",""
"2241684","6.1776","0.0004","9.2296","0.0004","25.748","0.0015","90","","97.117","0.006","90","","1456.76","0.14","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","<i>N</i>^6^-Benzoyladenine‒adipic acid (1/0.5)","","- C15 H14 N5 O3 -","- C15 H14 N5 O3 -","- C60 H56 N20 O12 -","4","1","HG5474","Swinton Darious, Robert; Thomas Muthiah, Packianathan; Perdih, Franc","Supramolecular architecture in a co-crystal of the N(7)—H tautomeric form of <i>N</i>^6^-benzoyladenine with adipic acid (1/0.5)","Acta Crystallographica Section E","2016","72","6","805","808","10.1107/S2056989016007581","","","0.71073","MoKα","","0.0537","0.045","","","0.1137","0.1218","","","","","","1.047","","","","has coordinates,has disorder,has Fobs","182946","2020-10-21","18:00:00",""
"2241685","9.2164","0.0005","20.376","0.0009","21.8731","0.0009","90","","90","","90","","4107.6","0.3","100","2","100","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","12-(3,4,5-Trimethoxyphenyl)-2,3,4,12-tetrahydro-1<i>H</i>-5-oxatetraphen-1-one","","- C26 H24 O5 -","- C26 H24 O5 -","- C208 H192 O40 -","8","1","HB7584","Jotani, Mukesh M.; Iniyavan, P.; Vijayakumar, V.; Sarveswari, S.; Tan, Yee Seng; Tiekink, Edward R. T.","12-(3,4,5-Trimethoxyphenyl)-2,3,4,12-tetrahydro-1<i>H</i>-5-oxatetraphen-1-one: crystal structure and Hirshfeld surface analysis","Acta Crystallographica Section E","2016","72","6","809","814","10.1107/S2056989016007775","","","0.71073","MoKα","","0.0485","0.0396","","","0.0932","0.0995","","","","","","1.036","","","","has coordinates,has Fobs","182947","2020-10-21","18:00:00",""
"2241686","8.0258","0.0002","39.7598","0.0012","7.8932","0.0002","90","","103.937","0.001","90","","2444.6","0.11","173","2","173.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","3-Fluoro-<i>N</i>-[2-(trifluoromethyl)phenyl]benzamide","","- C14 H9 F4 N O -","- C14 H9 F4 N O -","- C112 H72 F32 N8 O8 -","8","2","SU5298","Suchetan, P. A.; Suresha, E.; Naveen, S.; Lokanath, N. K.","Crystal structures of 3-fluoro-<i>N</i>-[2-(trifluoromethyl)phenyl]benzamide, 3-bromo-<i>N</i>-[2-(trifluoromethyl)phenyl]benzamide and 3-iodo-<i>N</i>-[2-(trifluoromethyl)phenyl]benzamide","Acta Crystallographica Section E","2016","72","6","819","823","10.1107/S2056989016007866","","","1.54178","CuKα","","0.0348","0.0334","","","0.0898","0.0913","","","","","","1.06","","","","has coordinates,has Fobs","182997","2020-10-21","18:00:00",""
"2241687","12.9456","0.0006","4.7377","0.0002","21.9025","0.001","90","","104.77","0.002","90","","1298.94","0.1","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","3-Bromo-<i>N</i>-[2-(trifluoromethyl)phenyl]benzamide","","- C14 H9 Br F3 N O -","- C14 H9 Br F3 N O -","- C56 H36 Br4 F12 N4 O4 -","4","1","SU5298","Suchetan, P. A.; Suresha, E.; Naveen, S.; Lokanath, N. K.","Crystal structures of 3-fluoro-<i>N</i>-[2-(trifluoromethyl)phenyl]benzamide, 3-bromo-<i>N</i>-[2-(trifluoromethyl)phenyl]benzamide and 3-iodo-<i>N</i>-[2-(trifluoromethyl)phenyl]benzamide","Acta Crystallographica Section E","2016","72","6","819","823","10.1107/S2056989016007866","","","1.54178","CuKα","","0.0359","0.0341","","","0.0886","0.0897","","","","","","1.054","","","","has coordinates,has Fobs","182997","2020-10-21","18:00:00",""
"2241688","13.3358","0.0006","4.7471","0.0002","22.3558","0.001","90","","105.848","0.002","90","","1361.47","0.1","173","2","173.15","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","3-Iodo-<i>N</i>-[2-(trifluoromethyl)phenyl]benzamide","","- C14 H9 F3 I N O -","- C14 H9 F3 I N O -","- C56 H36 F12 I4 N4 O4 -","4","1","SU5298","Suchetan, P. A.; Suresha, E.; Naveen, S.; Lokanath, N. K.","Crystal structures of 3-fluoro-<i>N</i>-[2-(trifluoromethyl)phenyl]benzamide, 3-bromo-<i>N</i>-[2-(trifluoromethyl)phenyl]benzamide and 3-iodo-<i>N</i>-[2-(trifluoromethyl)phenyl]benzamide","Acta Crystallographica Section E","2016","72","6","819","823","10.1107/S2056989016007866","","","1.54178","CuKα","","0.0439","0.0426","","","0.1074","0.1087","","","","","","1.089","","","","has coordinates,has Fobs","182997","2020-10-21","18:00:00",""
"2241689","9.305","0.0005","9.4479","0.0005","19.5429","0.0009","90","","99.205","0.002","90","","1695.94","0.15","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","1,3-Bis(1<i>H</i>-benzotriazol-1-ylmethyl)benzene","","- C20 H16 N6 -","- C20 H16 N6 -","- C80 H64 N24 -","4","1","BG2585","Macías, Mario A.; Nuñez-Dallos, Nelson; Hurtado, John; Suescun, Leopoldo","Crystal structure of 1,3-bis(1<i>H</i>-benzotriazol-1-ylmethyl)benzene","Acta Crystallographica Section E","2016","72","6","815","818","10.1107/S2056989016007805","","","0.71073","MoKα","","0.084","0.0671","","","0.1478","0.1598","","","","","","1.418","","","","has coordinates,has Fobs","182998","2020-10-21","18:00:00",""
"2241690","13.883","0.003","6.7448","0.0013","19.11","0.004","90","","102","0.03","90","","1750.3","0.7","130","2","130","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","7,8,17,18-Tetrabromo-5,10,15,20-tetraphenylporphyrin","","- C44 H26 Br4 N4 -","- C44 H26 Br4 N4 -","- C88 H52 Br8 N8 -","2","0.5","HB7580","Scheidt, W. Robert; Duval, Hugues F.; Oliver, Allen G.","Ring-strain release in neutral and dicationic 7,8,17,18-tetrabromo-5,10,15,20-tetraphenylporphyrin: crystal structures of C~44~H~26~Br~4~N~4~ and C~44~H~28~Br~4~N~4~^2+^·2ClO~4~^{-^}·3CH~2~Cl~2~","Acta Crystallographica Section E","2016","72","6","824","828","10.1107/S2056989016007349","","","0.71073","MoKα","","0.0835","0.0592","","","0.1307","0.1562","","","","","","1.077","","","","has coordinates","183053","2020-10-21","18:00:00",""
"2241691","12.903","0.003","13.761","0.003","14.876","0.003","90","","96.67","0.03","90","","2623.5","1","130","2","130","2","","","","","","","","6","P 1 n 1","P -2yac","7","","7,8,17,18-Tetrabromo-5,10,15,20-tetraphenylporphyrin(2+) bis(perchlorate) dichloromethane trisolvate","","- C47 H34 Br4 Cl8 N4 O8 -","- C47 H34 Br4 Cl8 N4 O8 -","- C94 H68 Br8 Cl16 N8 O16 -","2","1","HB7580","Scheidt, W. Robert; Duval, Hugues F.; Oliver, Allen G.","Ring-strain release in neutral and dicationic 7,8,17,18-tetrabromo-5,10,15,20-tetraphenylporphyrin: crystal structures of C~44~H~26~Br~4~N~4~ and C~44~H~28~Br~4~N~4~^2+^·2ClO~4~^{-^}·3CH~2~Cl~2~","Acta Crystallographica Section E","2016","72","6","824","828","10.1107/S2056989016007349","","","0.71073","MoKα","","0.0848","0.0596","","","0.1509","0.1851","","","","","","1.06","","","","has coordinates,has Fobs","183053","2020-10-21","18:00:00",""
"2241692","12.655","0.002","13.578","0.002","7.1405","0.0008","90","","112.58","0.02","90","","1132.9","0.3","298","2","298","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","Nonasodium chromium(III) hexakis[molybdate(VI)]","","- Cr Mo6 Na9 O24 -","- Cr Mo6 Na9 O24 -","- Cr2 Mo12 Na18 O48 -","2","0.25","RU2067","Sonni, Manel; Marzouki, Riadh; Zid, Mohamed Faouzi; Souilem, Amira","Elaboration, étude structurale et analyse CHARDI et BVS d'une nouvelle variété β-Na~9~Cr(MoO~4~)~6~ de type alluaudite","Acta Crystallographica Section E","2016","72","6","833","837","10.1107/S205698901600774X","","","0.71073","MoKα","","0.0349","0.0279","","","0.0769","0.0801","","","","","","1.058","","","","has coordinates,has Fobs","213925","2020-10-21","18:00:00",""
"2241693","26.9702","0.0005","14.3845","0.0002","34.1762","0.0007","90","","111.896","0.002","90","","12302.3","0.4","203","0.1","203","0.1","","","","","","","","7","C 1 2/c 1","-C 2yc","15","Manganese(II) Wells‒Dawson polyoxotungstate","Hexakis(dimethylformamide-κ<i>O</i>)manganese(II) decakis(dimethylformamide-1κ^5^<i>O</i>,2κ^5^<i>O</i>)[μ-octadecatungstodiphosphato(V)-κ<i>O</i>:κ<i>O</i>']dimanganate(II) dimethylformamide disolvate","","- C54 H126 Mn3 N18 O80 P2 W18 -","- C54 H126 Mn3 N18 O80 P2 W18 -","- C216 H504 Mn12 N72 O320 P8 W72 -","4","0.5","GK2660","Dhifallah, Fatma; Belkhiria, Mohamed Salah","Crystal structure of hexakis(dimethylformamide-κ<i>O</i>)manganese(II) decakis(dimethylformamide-1κ^5^<i>O</i>,2κ^5^<i>O</i>)[μ-octadecatungstodiphosphato(V)-κ<i>O</i>:κ<i>O</i>']dimanganate(II) dimethylformamide disolvate","Acta Crystallographica Section E","2016","72","6","841","844","10.1107/S2056989016007842","","","0.71073","MoKα","","0.043","0.0348","","","0.0674","0.0715","","","","","","1.116","","","","has coordinates,has Fobs","183055","2020-10-21","18:00:00",""
"2241694","9.461","0.0008","11.673","0.001","12.9862","0.0011","83.78","0.002","79.998","0.002","67.335","0.002","1301.95","0.19","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","(1<i>RS</i>,21<i>SR</i>,22<i>RS</i>,24<i>SR</i>)-28-Oxo-24-propyl-8,11,14-trioxa-24,27-diazapentacyclo[19.5.1.1^22,26^.0^2,7^.0^15,20^]octacosa-2,4,6,15(20),16,18-hexaene acetic acid monosolvate","","- C28 H36 N2 O6 -","- C28 H36 N2 O6 -","- C56 H72 N4 O12 -","2","1","CV5505","Hieu, Truong Hong; Anh, Le Tuan; Soldatenkov, Anatoly T.; Tuyen, Nguyen Van; Khrustalev, Victor N.","Crystal structure of (1<i>RS</i>,21<i>SR</i>,22<i>RS</i>,24<i>SR</i>)-28-oxo-24-propyl-8,11,14-trioxa-24,27-diazapentacyclo[19.5.1.1^22,26^.0^2,7^.0^15,20^]octacosa-2,4,6,15(20),16,18-hexaene acetic acid monosolvate","Acta Crystallographica Section E","2016","72","6","829","832","10.1107/S2056989016007556","","","0.71073","MoKα","","0.1062","0.0646","","","0.1245","0.1425","","","","","","1.012","","","","has coordinates,has Fobs","183056","2020-10-21","18:00:00",""
"2241695","11.8318","0.0002","12.0638","0.0004","12.3169","0.0002","98.26","0.001","114.283","0.001","101.418","0.001","1520.15","0.06","130","2","130","2","","","","","","","","6","P -1","-P 1","2","","{(<i>E</i>)-2-[(Phenylimino)methyl]phenolato-κ^2^<i>N</i>,<i>O</i>}bis[2-(pyridin-2-yl)phenyl-κ^2^<i>C</i>^1^,<i>N</i>]iridium(III) dichloromethane monosolvate","","- C36 H28 Cl2 Ir N3 O -","- C36 H28 Cl2 Ir N3 O -","- C72 H56 Cl4 Ir2 N6 O2 -","2","1","","Goo, Moo-Sung; Park, Ki-Min; Kim, Hee-Joon","Crystal structure of {(<i>E</i>)-2-[(phenylimino)methyl]phenolato-κ^2^<i>N</i>,<i>O</i>}bis[2-(pyridin-2-yl)phenyl-κ^2^<i>C</i>^1^,<i>N</i>]iridium(III) dichloromethane monosolvate","Acta Crystallographica Section E","2016","72","6","838","840","10.1107/S2056989016008100","","","0.71073","MoKα","","0.0208","0.0187","","","0.0465","0.047","","","","","","1.075","","","","has coordinates,has disorder,has Fobs","183057","2020-10-21","18:00:00",""
"2241696","7.2124","0.0009","14.1782","0.0019","20.794","0.003","90","","90","","90","","2126.4","0.5","273","2","273","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","1-(Pyridin-2-yl)-3-(pyridin-3-yl)propane-1,3-dione","(2<i>Z</i>)-3-Hydroxy-1-(pyridin-2-yl)-3-(pyridin-3-yl)prop-2-en-1-one","","- C13 H10 N2 O2 -","- C13 H10 N2 O2 -","- C104 H80 N16 O16 -","8","1","HB7587","Lee, Sze-Ling; Tan, Ai Ling; Young, David J.; Jotani, Mukesh M.; Tiekink, Edward R. T.","(2<i>Z</i>)-3-Hydroxy-1-(pyridin-2-yl)-3-(pyridin-3-yl)prop-2-en-1-one: crystal structure and Hirshfeld surface analysis","Acta Crystallographica Section E","2016","72","6","849","853","10.1107/S205698901600832X","","","0.71073","MoKα","","0.0521","0.0422","","","0.1137","0.1205","","","","","","1.045","","","","has coordinates,has Fobs","183122","2020-10-21","18:00:00",""
"2241697","7.4178","0.0012","11.2436","0.0015","16.116","0.0018","90","","93.148","0.004","90","","1342.1","0.3","100","","100","","","","","","","","","5","P 1 21 1","P 2yb","4","","16-Ferrocenylmethyl-3β-hydroxyestra-1,3,5(10)-trien-17-one dimethyl sulfoxide monosolvate","","- C31 H38 Fe O3 S -","- C31 H38 Fe O3 S -","- C62 H76 Fe2 O6 S2 -","2","1","BG2586","Carmona-Negrón, José A.; Flores-Rivera, Mariola M.; Díaz-Reyes, Zaibeth; Moore, Curtis E.; Rheigold, Arnold L.; Meléndez, Enrique","Crystal structure of 16-ferrocenylmethyl-3β-hydroxyestra-1,3,5(10)-trien-17-one: a potential chemotherapeutic drug","Acta Crystallographica Section E","2016","72","6","868","871","10.1107/S2056989016008446","","","0.71073","MoKα","","0.048","0.0425","","","0.0927","0.0969","","","","","","1.02","","","","has coordinates","183123","2020-10-21","18:00:00",""
"2241698","6.9","0.004","6.928","0.001","11.055","0.001","80.24","0.01","83.55","0.02","80.22","0.03","511.3","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- Fe Mg Mo3 Na O12 -","- Fe Mg Mo3 Na O12 -","- Fe2 Mg2 Mo6 Na2 O24 -","2","1","BR2259","Mhiri, Manel; Badri, Abdessalem; Ben Amara, Mongi","Synthesis and crystal structure of NaMgFe(MoO~4~)~3~","Acta Crystallographica Section E","2016","72","6","864","867","10.1107/S205698901600829X","","","0.71073","MoKα","","0.0265","0.025","","","0.0676","0.0682","","","","","","1.188","","","","has coordinates,has Fobs","183124","2020-10-21","18:00:00",""
"2241699","13.4674","0.0005","11.4709","0.0004","10.203","0.0003","90","","100.453","0.001","90","","1550.03","0.09","200","2","200","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Bis(2-methyl-1<i>H</i>-imidazol-3-ium) μ-oxalato-bis[<i>n</i>-butyltrichloridostannate(IV)]","","- C18 H32 Cl6 N4 O4 Sn2 -","- C18 H32 Cl6 N4 O4 Sn2 -","- C36 H64 Cl12 N8 O8 Sn4 -","2","0.5","WM5293","Diop, Mouhamadou Birame; Diop, Libasse; Oliver, Allen G.","Crystal structure of bis(2-methyl-1<i>H</i>-imidazol-3-ium) μ-oxalato-bis[<i>n</i>-butyltrichloridostannate(IV)]","Acta Crystallographica Section E","2016","72","6","858","860","10.1107/S2056989016008434","","","0.71073","MoKα","","0.0241","0.021","","","0.0493","0.0511","","","","","","1.057","","","","has coordinates,has disorder,has Fobs","183125","2020-10-21","18:00:00",""
"2241700","7.521","0.0001","13.3056","0.0003","14.8445","0.0004","69.283","0.001","76.336","0.002","85.759","0.002","1350.06","0.05","120","2","120","2","","","","","","","","5","P 1","P 1","1","","2-{[2,8-Bis(trifluoromethyl)quinolin-4-yl](hydroxy)methyl}piperidin-1-ium (+)-3,3,3-trifluoro-2-methoxy-2-phenylpropanoate","","- C27 H25 F9 N2 O4 -","- C27 H25 F9 N2 O4 -","- C54 H50 F18 N4 O8 -","2","2","HB7588","Wardell, James L.; Wardell, Solange M. S. V.; Tiekink, Edward R. T.","A kryptoracemic salt: 2-{[2,8-bis(trifluoromethyl)quinolin-4-yl](hydroxy)methyl}piperidin-1-ium (+)-3,3,3-trifluoro-2-methoxy-2-phenylpropanoate","Acta Crystallographica Section E","2016","72","6","872","877","10.1107/S2056989016008495","","","0.71073","MoKα","","0.0536","0.0455","","","0.0996","0.1079","","","","","","1.042","","","","has coordinates,has Fobs","183128","2020-10-21","18:00:00",""
"2241701","4.2447","0.0014","16.95","0.005","21.839","0.007","90","","92.029","0.006","90","","1570.3","0.9","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1<i>H</i>-Pyrazol-2-ium 2,4,6-trinitrophenolate 1<i>H</i>-pyrazole","","- C12 H11 N7 O7 -","- C12 H11 N7 O7 -","- C48 H44 N28 O28 -","4","1","LH5810","Su, Ping; Song, Xue-gang; Sun, Ren-qiang; Xu, Xing-man","Hydrogen bonding in the crystal structure of the molecular salt of pyrazole‒pyrazolium picrate","Acta Crystallographica Section E","2016","72","6","861","863","10.1107/S2056989016008215","","","0.71073","MoKα","","0.1087","0.0565","","","0.1314","0.1574","","","","","","0.982","","","","has coordinates,has disorder,has Fobs","183129","2020-10-21","18:00:00",""
"2241702","13.5778","0.0003","9.9492","0.0003","19.024","0.0004","90","","98.302","0.002","90","","2542.99","0.11","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Bis{4-bromo-2-[(carbamimidamidoimino)methyl]phenolato-κ^3^<i>N</i>,<i>N</i>',<i>O</i>}cobalt(III) nitrate dimethylformamide monosolvate","","- C19 H23 Br2 Co N10 O6 -","- C19 H23 Br2 Co N10 O6 -","- C76 H92 Br8 Co4 N40 O24 -","4","1","HG5475","Buvaylo, Elena A.; Kasyanova, Katerina A.; Vassilyeva, Olga Yu.; Skelton, Brian W.","Crystal structure of bis{4-bromo-2-[(carbamimidamidoimino)methyl]phenolato-κ^3^<i>N</i>,<i>N</i>',<i>O</i>}cobalt(III) nitrate dimethylformamide monosolvate","Acta Crystallographica Section E","2016","72","7","907","911","10.1107/S2056989016008690","","","0.71073","MoKα","","0.0623","0.0453","","","0.1022","0.1096","","","","","","1.022","","","","has coordinates,has Fobs","183341","2020-10-21","18:00:00",""
"2241703","11.6801","0.0005","8.1098","0.0003","22.6345","0.0008","90","","98.736","0.002","90","","2119.14","0.14","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Bis(benzoato-κ<i>O</i>)dibutyltin(IV)","","- C22 H28 O4 Sn -","- C22 H28 O4 Sn -","- C88 H112 O16 Sn4 -","4","1","ZL2663","Reuter, Hans; Okio, Coco K. Y. A.","Crystal structure of bis(benzoato-κ<i>O</i>)dibutyltin(IV), nBu~2~Sn(bzo)~2~","Acta Crystallographica Section E","2016","72","7","897","900","10.1107/S2056989016008604","","","0.71073","MoKα","","0.031","0.0281","","","0.0681","0.0699","","","","","","1.203","","","","has coordinates,has Fobs","183342","2020-10-21","18:00:00",""
"2241704","27.614","0.003","10.5561","0.0011","10.6875","0.0009","90","","91.722","0.009","90","","3114","0.5","298","1","298","1","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","<i>trans</i>-<i>N</i>,<i>N</i>'-Bis(3,5-di-<i>tert</i>-butyl-2-hydroxyphenyl)oxamide methanol monosolvate","","- C31 H48 N2 O5 -","- C30.9994 H47.9982 N2 O5 -","- C123.998 H191.993 N8 O20 -","4","0.5","SU5302","Velázquez-Carmona, Miguel-Ángel; Bernès, Sylvain; Ríos-Merino, Francisco Javier; Reyes Ortega, Yasmi","Crystal structure of <i>trans</i>-<i>N</i>,<i>N</i>'-bis(3,5-di-<i>tert</i>-butyl-2-hydroxyphenyl)oxamide methanol monosolvate","Acta Crystallographica Section E","2016","72","7","918","921","10.1107/S205698901600880X","","","0.71073","MoKα","","0.0834","0.0532","","","0.1354","0.1552","","","","","","1.008","","","","has coordinates,has disorder,has Fobs","183343","2020-10-21","18:00:00",""
"2241705","13.8322","0.0006","15.0753","0.0004","21.0367","0.0009","90","","106.683","0.005","90","","4202","0.3","100","","100","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","<i>trans</i>-Dichlorido(4-chloroaniline-κ<i>N</i>){3-methoxy-4-methoxycarbonylmethoxy-1-[(2,3-η)-prop-2-en-1-yl]benzene}platinum(II) 0.1-hydrate","","- C19 H22.2 Cl3 N O4.1 Pt -","- C19 H22 Cl3 N O4.05 Pt -","- C152 H176 Cl24 N8 O32.4 Pt8 -","8","1","RZ5189","Le Thi Hong, Hai; Dao Thi Bich, Diep; Nguyen Bich, Ngan; Van Meervelt, Luc","Crystal structures of organoplatinum complexes containing alkyleugenoxyacetate and <i>p</i>-chloroaniline","Acta Crystallographica Section E","2016","72","7","912","917","10.1107/S2056989016008872","","","0.71073","MoKα","","0.0351","0.0324","","","0.0629","0.0639","","","","","","1.216","","","","has coordinates,has disorder,has Fobs","183344","2020-10-21","18:00:00",""
"2241706","9.9093","0.0003","10.0102","0.0003","11.1414","0.0004","97.302","0.003","99.706","0.003","92.572","0.002","1078.02","0.06","100","","100","","","","","","","","","6","P -1","-P 1","2","","<i>trans</i>-Dichlorido(4-chloroaniline-κ<i>N</i>){4-ethoxycarbonylmethoxy-3-methoxy-1-[(2,3-η)-prop-2-en-1-yl]benzene}platinum(II)","","- C20 H24 Cl3 N O4 Pt -","- C20 H24 Cl3 N O4 Pt -","- C40 H48 Cl6 N2 O8 Pt2 -","2","1","RZ5189","Le Thi Hong, Hai; Dao Thi Bich, Diep; Nguyen Bich, Ngan; Van Meervelt, Luc","Crystal structures of organoplatinum complexes containing alkyleugenoxyacetate and <i>p</i>-chloroaniline","Acta Crystallographica Section E","2016","72","7","912","917","10.1107/S2056989016008872","","","0.71073","MoKα","","0.0288","0.0264","","","0.0555","0.0565","","","","","","1.199","","","","has coordinates,has disorder,has Fobs","183344","2020-10-21","18:00:00",""
"2241707","7.9608","0.0005","10.0679","0.0006","12.3007","0.0007","72.087","0.002","74.841","0.003","78.66","0.003","898.17","0.09","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","Diaquabis(4-<i>tert</i>-butylbenzoato-κ<i>O</i>)bis(nicotinamide-κ<i>N</i>^1^)cobalt(II) dihydrate","","- C34 H46 Co N4 O10 -","- C34 H46 Co N4 O10 -","- C34 H46 Co N4 O10 -","1","0.5","PK2579","Aşkın, Gülçin Şefiye; Necefoğlu, Hacali; Özkaya, Safiye; Çatak Çelik, Raziye; Hökelek, Tuncer","Crystal structure of diaquabis(4-<i>tert</i>-butylbenzoato-κ<i>O</i>)bis(nicotinamide-κ<i>N</i>^1^)cobalt(II) dihydrate","Acta Crystallographica Section E","2016","72","7","888","891","10.1107/S2056989016008689","","","0.71073","MoKα","","0.0384","0.0358","","","0.0982","0.1014","","","","","","1.036","","","","has coordinates,has disorder,has Fobs","183345","2020-10-21","18:00:00",""
"2241708","9.1047","0.001","10.0086","0.0011","10.5871","0.0011","90","","90","","90","","964.75","0.18","125","2","125","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","(R)-(-)-O-acetylmandelic acid","(<i>R</i>)-(-)-2-Acetoxy-2-phenylacetic acid","","- C10 H10 O4 -","- C10 H10 O4 -","- C40 H40 O16 -","4","1","PK2580","Cirbes, Cady; Tanski, Joseph M.","Crystallographic and spectroscopic characterization of (<i>R</i>)-<i>O</i>-acetylmandelic acid","Acta Crystallographica Section E","2016","72","7","901","903","10.1107/S2056989016008653","","","1.54178","CuKα","","0.025","0.025","","","0.0623","0.0623","","","","","","1.099","","","","has coordinates,has Fobs","183347","2020-10-21","18:00:00",""
"2241709","10.609","0.002","11.669","0.002","14.319","0.002","74.741","0.002","70.932","0.002","89.095","0.002","1611.5","0.5","173","1","173","1","","","","","","","","4","P -1","-P 1","2","","(Acetato-κ<i>O</i>)(ethanol-κ<i>O</i>)[(9<i>S</i>,17<i>S</i>,21<i>S</i>,29<i>S</i>)-9,17,21,29-tetrahydroxy-18,30-dioxaoctacyclo[18.10.0.0^2,7^.0^8,19^.0^9,17^.0^11,16^.0^21,29^.0^23,28^]triaconta-1,3,5,7,11(16),12,14,19,23(28),24,26-undecaene-10,22-dione-κ^3^<i>O</i>^18^,<i>O</i>^21^,<i>O</i>^22^]caesium ethanol monosolvate","","- C34 H31 Cs O12 -","- C34 H31 Cs O12 -","- C68 H62 Cs2 O24 -","2","1","LH5813","Bengiat, Ravell; Gil, Maayan; Klein, Asne; Bogoslavsky, Benny; Cohen, Shmuel; Yardeni, Guy; Zilbermann, Israel; Almog, Joseph","Crystal structure of (acetato-κ<i>O</i>)(ethanol-κ<i>O</i>)[(9<i>S</i>,17<i>S</i>,21<i>S</i>,29<i>S</i>)-9,17,21,29-tetrahydroxy-18,30-dioxaoctacyclo[18.10.0.0^2,7^.0^8,19^.0^9,17^.0^11,16^.0^21,29^.0^23,28^]triaconta-1,3,5,7,11(16),12,14,19,23(28),24,26-undecaene-10,22-dione-κ^3^<i>O</i>^18^,<i>O</i>^21^,<i>O</i>^22^]caesium ethanol monosolvate","Acta Crystallographica Section E","2016","72","7","884","887","10.1107/S2056989016008860","","","0.71073","MoKα","","0.0342","0.0336","","","0.0848","0.0853","","","","","","1.19","","","","has coordinates,has Fobs","183348","2020-10-21","18:00:00",""
"2241710","5.51","0.003","14.809","0.009","10.824","0.007","90","","100.757","0.007","90","","867.7","0.9","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","2-(4-Acetylanilino)-2-oxoethyl 3-(4-hydroxyphenyl)propionate","","- C19 H19 N O5 -","- C19 H19 N O5 -","- C38 H38 N2 O10 -","2","1","IS5453","Ashraf, Zaman; Kim, Daeyoung; Seo, Sung-Yum; Kang, Sung Kwon","Crystal structure of 2-(4-acetylanilino)-2-oxoethyl 3-(4-hydroxyphenyl)propionate","Acta Crystallographica Section E","2016","72","7","933","936","10.1107/S205698901600894X","","","0.71073","MoKα","","0.1278","0.053","","","0.1001","0.126","","","","","","0.997","","","","has coordinates,has disorder,has Fobs","183349","2020-10-21","18:00:00",""
"2241711","8.356","0.0011","13.7347","0.0013","11.2928","0.0012","90","","93.991","0.009","90","","1292.9","0.3","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Poly[<i>N</i>,<i>N</i>-diethyl-2-hydroxyethan-1-aminium [μ~3~-cyanido-κ^3^<i>C</i>:<i>C</i>:<i>N</i>-di-μ-cyanido-κ^4^<i>C</i>:<i>N</i>-dicuprate(I)]]","","- C9 H16 Cu2 N4 O -","- C9 H15 Cu2 N4 O -","- C36 H60 Cu8 N16 O4 -","4","1","WM5295","Corfield, Peter W. R.; Cleary, Emma; Michalski, Joseph F.","Crystal structure of poly[<i>N</i>,<i>N</i>-diethyl-2-hydroxyethan-1-aminium [μ~3~-cyanido-κ^3^<i>C</i>:<i>C</i>:<i>N</i>-di-μ-cyanido-κ^4^<i>C</i>:<i>N</i>-dicuprate(I)]]","Acta Crystallographica Section E","2016","72","7","892","896","10.1107/S2056989016008781","","","0.71073","MoKα","","0.0361","0.0269","","","0.0774","0.0815","","","","","","1.047","","","","has coordinates,has Fobs","211179","2020-10-21","18:00:00",""
"2241712","7.2117","0.0003","8.0491","0.0003","23.6242","0.0009","90","","94.388","0.004","90","","1367.31","0.09","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","6-Methyl-<i>N</i>-(3-methylphenyl)-2-oxo-2<i>H</i>-chromene-3-carboxamide","","- C18 H15 N O3 -","- C18 H15 N O3 -","- C72 H60 N4 O12 -","4","1","","Gomes, Lígia R.; Low, John Nicolson; Fonseca, André; Matos, Maria João; Borges, Fernanda","Crystal structures of three 6-substituted coumarin-3-carboxamide derivatives","Acta Crystallographica Section E","2016","72","7","926","932","10.1107/S2056989016008665","","","0.71075","MoKα","","0.0525","0.0411","","","0.1128","0.1203","","","","","","1.031","","","","has coordinates,has Fobs","183351","2020-10-21","18:00:00",""
"2241713","7.1028","0.0004","10.1367","0.0004","10.8171","0.0005","75.827","0.004","88.318","0.004","71.271","0.004","714.1","0.06","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","6-Methyl-<i>N</i>-(3-methoxyphenyl)-2-oxo-2<i>H</i>-chromene-3-carboxamide","","- C18 H15 N O4 -","- C18 H15 N O4 -","- C36 H30 N2 O8 -","2","1","","Gomes, Lígia R.; Low, John Nicolson; Fonseca, André; Matos, Maria João; Borges, Fernanda","Crystal structures of three 6-substituted coumarin-3-carboxamide derivatives","Acta Crystallographica Section E","2016","72","7","926","932","10.1107/S2056989016008665","","","0.71075","MoKα","","0.0576","0.0469","","","0.1304","0.139","","","","","","1.02","","","","has coordinates,has Fobs","183351","2020-10-21","18:00:00",""
"2241714","6.7722","0.0005","8.3098","0.0007","14.4202","0.0013","91.874","0.007","100.009","0.007","113.042","0.007","730.84","0.11","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","6-Methoxy-<i>N</i>-(3-methoxyphenyl)-2-oxo-2<i>H</i>-chromene-3-carboxamide","","- C18 H15 N O5 -","- C18 H15 N O5 -","- C36 H30 N2 O10 -","2","1","","Gomes, Lígia R.; Low, John Nicolson; Fonseca, André; Matos, Maria João; Borges, Fernanda","Crystal structures of three 6-substituted coumarin-3-carboxamide derivatives","Acta Crystallographica Section E","2016","72","7","926","932","10.1107/S2056989016008665","","","0.71073","MoKα","","0.0935","0.071","","","0.1414","0.1518","","","","","","1.159","","","","has coordinates,has Fobs","183351","2020-10-21","18:00:00",""
"2241715","19.1926","0.0009","36.3044","0.0012","5.293","0.0002","90","","90","","90","","3688","0.3","200","2","200","2","","","","","","","","6","F d d 2","F 2 -2d","43","","Bis(isonicotinamide-κ<i>N</i>^1^)bis(thiocyanato-κ<i>N</i>)zinc","","- C14 H12 N6 O2 S2 Zn -","- C14 H12 N6 O2 S2 Zn -","- C112 H96 N48 O16 S16 Zn8 -","8","0.5","WM5297","Neumann, Tristan; Jess, Inke; Näther, Christian","Crystal structure of bis(isonicotinamide-κ<i>N</i>^1^)bis(thiocyanato-κ<i>N</i>)zinc","Acta Crystallographica Section E","2016","72","7","922","925","10.1107/S2056989016008963","","","0.71073","MoKα","","0.0349","0.0311","","","0.0658","0.0672","","","","","","1.125","","","","has coordinates,has Fobs","183352","2020-10-21","18:00:00",""
"2241716","12.0996","0.0014","24.511","0.003","11.2999","0.0013","90","","119.577","0.003","90","","2914.6","0.6","100","2","100","2","","","","","","","","6","C 1 c 1","C -2yc","9","","Hexakis(dimethyl sulfoxide-κ<i>O</i>)manganese(II) diiodide","","- C12 H36 I2 Mn O6 S6 -","- C12 H36 I2 Mn O6 S6 -","- C48 H144 I8 Mn4 O24 S24 -","4","1","SU5305","Glatz, Mathias; Schroffenegger, Martina; Weil, Matthias; Kirchner, Karl","Crystal structure of hexakis(dimethyl sulfoxide-κ<i>O</i>)manganese(II) diiodide","Acta Crystallographica Section E","2016","72","7","904","906","10.1107/S2056989016008896","","","0.71073","MoKα","","0.0649","0.0441","","","0.068","0.0742","","","","","","1.155","","","","has coordinates,has Fobs","183353","2020-10-21","18:00:00",""
"2241717","9.036","0.0003","6.1683","0.0002","11.9601","0.0004","90","","91.433","0.002","90","","666.41","0.04","293","2","293","2","","","","","","","","5","C 1 2 1","C 2y","5","Ruizite","Dicalcium dimanganese(III) tetrasilicate tetrahydroxide dihydrate","","- Ca2 H8 Mn2 O17 Si4 -","- Ca2 H8 Mn2 O17 Si4 -","- Ca4 H16 Mn4 O34 Si8 -","2","0.5","WM5291","Fendrich, Kim V.; Downs, Robert T.; Origlieri, Marcus J.","Redetermination of ruizite, Ca~2~Mn^3+^~2~[Si~4~O~11~(OH)~2~](OH)~2~·2H~2~O","Acta Crystallographica Section E","2016","72","7","959","963","10.1107/S2056989016009129","","","0.71073","MoKα","","0.0413","0.03","","","0.0617","0.0653","","","","","","1.061","","","","has coordinates,has Fobs","183675","2020-10-21","18:00:00",""
"2241718","8.885","0.008","14.253","0.013","11.583","0.011","90","","92.76","0.009","90","","1465","2","173","","173","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(<i>E</i>)-2-[(2-Bromopyridin-3-yl)methylidene]-6-methoxy-3,4-dihydronaphthalen-1(2<i>H</i>)-one","","- C17 H14 Br N O2 -","- C17 H14 Br N O2 -","- C68 H56 Br4 N4 O8 -","4","1","","Zingales, Sarah K.; Moore, Morgan E.; Goetz, Andrew D.; Padgett, Clifford W.","Crystal structure of (<i>E</i>)-2-[(2-bromopyridin-3-yl)methylidene]-6-methoxy-3,4-dihydronaphthalen-1(2<i>H</i>)-one and 3-[(<i>E</i>)-(6-methoxy-1-oxo-1,2,3,4-tetrahydronaphthalen-2-ylidene)methyl]pyridin-2(1<i>H</i>)-one","Acta Crystallographica Section E","2016","72","7","955","958","10.1107/S2056989016009300","","","0.71075","MoKα","","","0.0406","","","","0.0877","","","","","","0.985","","","","has coordinates,has Fobs","183676","2020-10-21","18:00:00",""
"2241719","8.079","0.008","12.296","0.012","14.009","0.013","88.85","0.03","76.969","0.016","89.43","0.03","1356","2","173","","173","","","","","","","","","4","P -1","-P 1","2","","3-[(<i>E</i>)-(6-Methoxy-1-oxo-1,2,3,4-tetrahydronaphthalen-2-ylidene)methyl]pyridin-2(1<i>H</i>)-one","","- C17 H15 N O3 -","- C17 H15 N O3 -","- C68 H60 N4 O12 -","4","2","","Zingales, Sarah K.; Moore, Morgan E.; Goetz, Andrew D.; Padgett, Clifford W.","Crystal structure of (<i>E</i>)-2-[(2-bromopyridin-3-yl)methylidene]-6-methoxy-3,4-dihydronaphthalen-1(2<i>H</i>)-one and 3-[(<i>E</i>)-(6-methoxy-1-oxo-1,2,3,4-tetrahydronaphthalen-2-ylidene)methyl]pyridin-2(1<i>H</i>)-one","Acta Crystallographica Section E","2016","72","7","955","958","10.1107/S2056989016009300","","","0.71075","MoKα","","","0.0581","","","","0.1568","","","","","","1.033","","","","has coordinates,has Fobs","183676","2020-10-21","18:00:00",""
"2241720","8.4332","0.0008","20.1895","0.0017","21.0104","0.0019","102.338","0.003","100.996","0.003","98.412","0.003","3364.6","0.5","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","(Piperazine-κ<i>N</i>){5,10,15,20-tetrakis[4-(benzoyloxy)phenyl]\ porphyrinato-κ^4^<i>N</i>}zinc unknown solvate","","- C76 H54 N6 O8 Zn -","- C76 H54 N6 O8 Zn -","- C152 H108 N12 O16 Zn2 -","2","1","LH5815","Nasri, Soumaya; Ezzayani, Khaireddine; Turowska-Tyrk, Ilona; Roisnel, Thierry; Nasri, Habib","Crystal structure of an unknown solvate of (piperazine-κ<i>N</i>){5,10,15,20-tetrakis[4-(benzoyloxy)phenyl]porphyrinato-κ^4^<i>N</i>}zinc","Acta Crystallographica Section E","2016","72","7","937","942","10.1107/S2056989016009269","","","0.71073","MoKα","","0.0475","0.0428","","","0.1153","0.1187","","","","","","1.05","","","","has coordinates,has Fobs","183677","2020-10-21","18:00:00",""
"2241721","12.1863","0.0009","10.7079","0.0008","11.1726","0.0008","90","","105.412","0.008","90","","1405.48","0.19","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","6-Hydroxy-5-(2-methoxyphenoxy)-2,2'-bipyrimidin-4(3<i>H</i>)-one","","- C15 H12 N4 O4 -","- C15 H12 N4 O4 -","- C60 H48 N16 O16 -","4","1","HB7590","Sagar, Belakavadi K.; Yathirajan, Hemmige S.; Jasinski, Jerry P.; Glidewell, Christopher","Crystal structure of 6-hydroxy-5-(2-methoxyphenoxy)-2,2'-bipyrimidin-4(3<i>H</i>)-one","Acta Crystallographica Section E","2016","72","7","969","971","10.1107/S2056989016009075","","","0.71073","MoKα","","0.0713","0.0505","","","0.1176","0.1344","","","","","","1.071","","","","has coordinates,has Fobs","183678","2020-10-21","18:00:00",""
"2241722","13.7168","0.0006","4.5783","0.0001","16.5929","0.0011","90","","97.464","0.007","90","","1033.2","0.09","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Ethyl 5-chloro-1<i>H</i>-indole-2-carboxylate","","- C11 H10 Cl N O2 -","- C11 H10 Cl N O2 -","- C44 H40 Cl4 N4 O8 -","4","1","SJ5499","Kerr, Jamie R.; Trembleau, Laurent; Storey, John M. D.; Wardell, James L.; Harrison, William T. A.","Weak interactions in the crystal structures of two indole derivatives","Acta Crystallographica Section E","2016","72","7","964","968","10.1107/S2056989016008616","","","0.71073","MoKα","","0.0358","0.0309","","","0.0803","0.0821","","","","","","1.089","","","","has coordinates,has Fobs","183679","2020-10-21","18:00:00",""
"2241723","7.7733","0.0005","7.824","0.0005","10.4594","0.0007","86.085","0.008","80.575","0.007","71.308","0.006","594.35","0.07","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","Ethyl 5-chloro-3-iodo-1<i>H</i>-indole-2-carboxylate","","- C11 H9 Cl I N O2 -","- C11 H9 Cl I N O2 -","- C22 H18 Cl2 I2 N2 O4 -","2","1","SJ5499","Kerr, Jamie R.; Trembleau, Laurent; Storey, John M. D.; Wardell, James L.; Harrison, William T. A.","Weak interactions in the crystal structures of two indole derivatives","Acta Crystallographica Section E","2016","72","7","964","968","10.1107/S2056989016008616","","","0.71073","MoKα","","0.0221","0.0216","","","0.0577","0.058","","","","","","1.042","","","","has coordinates,has Fobs","183679","2020-10-21","18:00:00",""
"2241724","13.301","0.003","13.797","0.003","16.527","0.003","75.919","0.013","71.129","0.012","69.383","0.012","2657.3","1","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","<i>catena</i>-Poly[[silver(I)-bis{μ-4-[1-(5'-isopropyl-[1,1':3',1''-terphenyl]-2'-yl)-1<i>H</i>-imidazol-2-yl]pyridine-κ^2^<i>N</i>:<i>N</i>'}] nitrate methanol monosolvate monohydrate]","","- C59 H56 Ag N7 O5 -","- C59 H54 Ag N7 O5 -","- C118 H108 Ag2 N14 O10 -","2","1","","Moon, Suk-Hee; Park, Ki-Min; Kang, Youngjin","Crystal structure of a one-dimensional looped-chain silver(I) coordination polymer: <i>catena</i>-poly[[silver(I)-bis{μ-4-[1-(5'-isopropyl-[1,1':3',1''-terphenyl]-2'-yl)-1<i>H</i>-imidazol-2-yl]pyridine-κ^2^<i>N</i>:<i>N</i>'}] nitrate methanol monosolvate monohydrate]","Acta Crystallographica Section E","2016","72","7","972","975","10.1107/S205698901600949X","","","0.71073","MoKα","","0.1312","0.0831","","","0.187","0.2084","","","","","","1.066","","","","has coordinates,has Fobs","183680","2020-10-21","18:00:00",""
"2241725","12.4229","0.0005","9.6392","0.0005","13.2384","0.0006","90","","102.457","0.003","90","","1547.94","0.12","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Ethyl 4-[(<i>E</i>)-(4-hydroxy-3-methoxybenzylidene)amino]benzoate","","- C17 H17 N O4 -","- C17 H17 N O4 -","- C68 H68 N4 O16 -","4","1","","Ling, Jing; Kavuru, Padmini; Wojtas, Lukasz; Chadwick, Keith","Crystal structure of ethyl 4-[(<i>E</i>)-(4-hydroxy-3-methoxybenzylidene)amino]benzoate: a <i>p</i>-hydroxy Schiff base","Acta Crystallographica Section E","2016","72","7","951","954","10.1107/S2056989016008999","","","1.54178","CuKα","","0.0515","0.0402","","","0.1113","0.1208","","","","","","1.05","","","","has coordinates,has Fobs","183681","2020-10-21","18:00:00",""
"2241726","10.833","0.0012","10.833","0.0012","39.169","0.005","90","","90","","120","","3980.8","0.8","173","2","173.15","","","","","","","","","3","P 32","P 32","145","Dimethyl-3,4,5,6-tetraphenylcyclohexa-3,5-diene-1,2-dicarboxylate","","","- C34 H28 O4 -","- C34 H28 O4 -","- C204 H168 O24 -","6","2","ZL2665","Greenberg, Fred H.; Nazarenko, Alexander Y.","Crystal structure of dimethyl 3,4,5,6-tetraphenylcyclohexa-3,5-diene-1,2-dicarboxylate","Acta Crystallographica Section E","2016","72","7","947","950","10.1107/S2056989016009403","","","1.54178","CuKα","","0.035","0.0334","","","0.0899","0.0914","","","","","","1.045","","","","has coordinates,has Fobs","183682","2020-10-21","18:00:00",""
"2241727","8.5318","0.0004","15.9973","0.0008","9.4637","0.0005","90","","102.738","0.002","90","","1259.87","0.11","296","","296","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","(<i>E</i>)-<i>N</i>'-(2-Hydroxy-5-methylbenzylidene)isonicotinohydrazide","","- C14 H13 N3 O2 -","- C14 H13 N3 O2 -","- C56 H52 N12 O8 -","4","1","","Chainok, Kittipong; Makmuang, Sureerat; Kielar, Filip","Crystal structures of (<i>E</i>)-<i>N</i>'-(2-hydroxy-5-methylbenzylidene)isonicotinohydrazide and (<i>E</i>)-<i>N</i>'-(5-fluoro-2-hydroxybenzylidene)isonicotinohydrazide","Acta Crystallographica Section E","2016","72","7","980","983","10.1107/S2056989016009762","","","0.71073","MoKα","","0.0774","0.0457","","","0.1105","0.1261","","","","","","1.012","","","","has coordinates,has Fobs","183683","2020-10-21","18:00:00",""
"2241728","8.9195","0.0003","10.1128","0.0003","13.6254","0.0004","90","","103.481","0.001","90","","1195.16","0.06","296","2","296","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(<i>E</i>)-<i>N</i>'-(5-Fluoro-2-hydroxybenzylidene)isonicotinohydrazide","","- C13 H10 F N3 O2 -","- C13 H10 F N3 O2 -","- C52 H40 F4 N12 O8 -","4","1","","Chainok, Kittipong; Makmuang, Sureerat; Kielar, Filip","Crystal structures of (<i>E</i>)-<i>N</i>'-(2-hydroxy-5-methylbenzylidene)isonicotinohydrazide and (<i>E</i>)-<i>N</i>'-(5-fluoro-2-hydroxybenzylidene)isonicotinohydrazide","Acta Crystallographica Section E","2016","72","7","980","983","10.1107/S2056989016009762","","","0.71073","MoKα","","0.0623","0.0423","","","0.1106","0.1237","","","","","","1.031","","","","has coordinates,has Fobs","183683","2020-10-21","18:00:00",""
"2241729","14.4354","0.0005","14.1925","0.0005","19.1682","0.0006","90","","98.786","0.001","90","","3881","0.2","293","2","293","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","(Benzenecarbothioamide-κ<i>S</i>)bromidobis(triphenylphosphane-κ<i>P</i>)silver(I)","","- C43 H37 Ag Br N P2 S -","- C43 H37 Ag Br N P2 S -","- C172 H148 Ag4 Br4 N4 P8 S4 -","4","1","HB7592","Ruangwut, Wattana; Saithong, Saowanit; Pakawatchai, Chaveng","Crystal structure and Hirshfeld-surface analysis of (benzenecarbothioamide-κ<i>S</i>)bromidobis(triphenylphosphane-κ<i>P</i>)silver(I)","Acta Crystallographica Section E","2016","72","7","984","987","10.1107/S2056989016009518","","","0.71073","MoKα","","0.0606","0.0362","","","0.0759","0.0849","","","","","","1.017","","","","has coordinates,has Fobs","183841","2020-10-21","18:00:00",""
"2241730","8.4458","0.0003","11.4318","0.0005","13.8713","0.0006","76.94","0.005","85.785","0.005","77.541","0.005","1273.49","0.1","103","2","103","2","","","","","","","","7","P -1","-P 1","2","","Chlorido[<i>trans</i>-1-(diphenylphosphanethioyl-κ<i>S</i>)-2-(diphenylphosphanoyl)ethene]gold(I) dichloromethane hemisolvate","","- C26.5 H23 Au Cl2 O P2 S -","- C26.5 H23 Au Cl2 O P2 S -","- C53 H46 Au2 Cl4 O2 P4 S2 -","2","1","PJ2031","Taouss, Christina; Jones, Peter G.","Crystal structure of chlorido[<i>trans</i>-1-(diphenylphosphanethioyl-κ<i>S</i>)-2-(diphenylphosphanoyl)ethene]gold(I) dichloromethane hemisolvate","Acta Crystallographica Section E","2016","72","7","1006","1008","10.1107/S2056989016009816","","","0.71073","MoKα","","0.038","0.0284","","","0.0681","0.0695","","","","","","0.975","","","","has coordinates,has disorder,has Fobs","183842","2020-10-21","18:00:00",""
"2241731","8.6918","0.0012","12.0588","0.0016","20.068","0.003","90","","90.153","0.003","90","","2103.4","0.5","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","[2,7,12-Trimethyl-3,7,11,17-tetraazabicyclo[11.3.1]heptadeca-\ 1(17),13,15-triene-κ^4^<i>N</i>]copper(II) bis(perchlorate)","","- C16 H28 Cl2 Cu N4 O8 -","- C16 H28 Cl2 Cu N4 O8 -","- C64 H112 Cl8 Cu4 N16 O32 -","4","1","ZL2666","Hilvano, Edward Gabrielle V.; Yang, Guang; Emnacen, Inno A.; Rybak-Akimova, Elena V.; Billones, Junie B.; Carrillo, Maria Constancia O.; Noll, Bruce C.; Organo, Voltaire G.","Synthesis and crystal structure of [2,7,12-trimethyl-3,7,11,17-tetraazabicyclo[11.3.1]heptadeca-1(17),13,15-triene-κ^4^<i>N</i>]copper(II) bis(perchlorate)","Acta Crystallographica Section E","2016","72","7","1009","1012","10.1107/S2056989016009701","","","0.71073","MoKα","","0.0272","0.0255","","","0.0616","0.0623","","","","","","1.062","","","","has coordinates,has Fobs","183843","2020-10-21","18:00:00",""
"2241732","14.682","0.002","7.689","0.004","21.28","0.003","90","","97.197","0.01","90","","2383.4","1.3","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Bis[4-(dimethylamino)pyridinium] aquabis(oxalato)oxidovanadate(IV) dihydrate","","- C18 H28 N4 O12 V -","- C18 H28 N4 O12 V -","- C72 H112 N16 O48 V4 -","4","0.5","WM5298","Sehimi, Hiba; Chérif, Ichraf; Zid, Mohamed Faouzi","Crystal structure of bis[4-(dimethylamino)pyridinium] aquabis(oxalato)oxidovanadate(IV) dihydrate","Acta Crystallographica Section E","2016","72","7","1002","1005","10.1107/S2056989016009695","","","0.71073","MoKα","","0.0683","0.038","","","0.094","0.1064","","","","","","1.013","","","","has coordinates,has Fobs","183844","2020-10-21","18:00:00",""
"2241733","5.7268","0.0003","5.7268","0.0003","9.9841","0.0006","90","","90","","120","","283.57","0.03","293","2","293","2","","","","","","","","4","P 63 m c","P 6c -2c","186","","Dilithium germanium trimolybdenum octaoxide","","- Ge Li2 Mo3 O8 -","- Ge Li2 Mo3 O8 -","- Ge2 Li4 Mo6 O16 -","2","0.166667","WM5299","Gall, Philippe; Gougeon, Patrick","Li~2~GeMo~3~O~8~: a novel reduced molybdenum oxide containing Mo~3~O~13~ cluster units","Acta Crystallographica Section E","2016","72","7","995","997","10.1107/S2056989016009750","","","0.71073","MoKα","","0.0322","0.0304","","","0.0753","0.0762","","","","","","1.101","","","","has coordinates,has Fobs","183845","2020-10-21","18:00:00",""
"2241734","4.794","0.0004","14.412","0.0009","14.536","0.0009","90","","93.848","0.006","90","","1002.04","0.12","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","2-Ethyl-4-methyl-1-(2-oxido-3,4-dioxocyclobut-1-en-1-yl)-1<i>H</i>-imidazol-3-ium","","- C10 H10 N2 O3 -","- C10 H10 N2 O3 -","- C40 H40 N8 O12 -","4","1","XU5888","Korkmaz, Ufuk; Bulut, Iclal; Bulut, Ahmet","Crystal structure of 2-ethyl-4-methyl-1-(2-oxido-3,4-dioxocyclobut-1-en-1-yl)-1<i>H</i>-imidazol-3-ium","Acta Crystallographica Section E","2016","72","7","998","1001","10.1107/S2056989016009725","","","0.71073","MoKα","","0.1642","0.0801","","","0.184","0.2469","","","","","","1.039","","","","has coordinates,has Fobs","183846","2020-10-21","18:00:00",""
"2241735","10.2566","0.0004","16.5665","0.0008","11.512","0.0005","90","","115.86","0.003","90","","1760.2","0.14","147","2","147","2","","","","","","","","5","P 1 21 1","P 2yb","4","","Bis(3-methylphenoxy)(phthalocyanine)silicon","","- C46 H30 N8 O2 Si -","- C46 H30 N8 O2 Si -","- C92 H60 N16 O4 Si2 -","2","1","HB7581","Lessard, Beno\?ît H.; Lough, Alan J.; Bender, Timothy P.","Crystal structures of bis(phenoxy)silicon phthalocyanines: increasing π‒π interactions, solubility and disorder and no halogen bonding observed","Acta Crystallographica Section E","2016","72","7","988","994","10.1107/S205698901600935X","","","1.54178","CuKα","","0.0514","0.0439","","","0.1061","0.1111","","","","","","1.027","","","","has coordinates,has Fobs","183847","2020-10-21","18:00:00",""
"2241736","12.6431","0.0006","19.587","0.001","7.5403","0.0004","90","","103.222","0.001","90","","1817.78","0.16","147","2","147","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Bis(2-<i>sec</i>-butylphenoxy)(phthalocyanine)silicon","","- C44 H24 I2 N8 O2 Si -","- C44 H24 I2 N8 O2 Si -","- C88 H48 I4 N16 O4 Si2 -","2","0.5","","Lessard, Beno\?ît H.; Lough, Alan J.; Bender, Timothy P.","Crystal structures of bis(phenoxy)silicon phthalocyanines: increasing π‒π interactions, solubility and disorder and no halogen bonding observed","Acta Crystallographica Section E","2016","72","7","988","994","10.1107/S205698901600935X","","","0.71073","MoKα","","0.0408","0.0365","","","0.0969","0.1011","","","","","","1.066","","","","has coordinates,has Fobs","183847","2020-10-21","18:00:00",""
"2241737","10.9239","0.0003","25.7282","0.0007","33.2065","0.0008","90","","90","","90","","9332.8","0.4","220","2","220","2","","","","","","","","5","I b c a","-I 2b 2c","73","","Bis(3-iodophenoxy)(phthalocyanine)silicon","","- C52 H42 N8 O2 Si -","- C52 H42 N8 O2 Si -","- C416 H336 N64 O16 Si8 -","8","0.5","","Lessard, Beno\?ît H.; Lough, Alan J.; Bender, Timothy P.","Crystal structures of bis(phenoxy)silicon phthalocyanines: increasing π‒π interactions, solubility and disorder and no halogen bonding observed","Acta Crystallographica Section E","2016","72","7","988","994","10.1107/S205698901600935X","","","1.54178","CuKα","","0.084","0.0662","","","0.1968","0.2084","","","","","","1.076","","","","has coordinates,has Fobs","183847","2020-10-21","18:00:00",""
"2241738","5.2704","0.0002","20.2885","0.0008","16.0314","0.0008","90","","94.21","0.002","90","","1709.59","0.13","90","0.5","90","0.5","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Diaquabis(7-diethylamino-3-formyl-2-oxo-2<i>H</i>-chromen-4-olato-κ^2^<i>O</i>^3^,<i>O</i>^4^)zinc(II) dimethyl sulfoxide disolvate","","- C32 H44 N2 O12 S2 Zn -","- C32 H44 N2 O12 S2 Zn -","- C64 H88 N4 O24 S4 Zn2 -","2","0.5","ZL2668","Davis, Aaron B.; Fronczek, Frank R.; Wallace, Karl J.","Crystal structure of diaquabis(7-diethylamino-3-formyl-2-oxo-2<i>H</i>-chromen-4-olato-κ^2^<i>O</i>^3^,<i>O</i>^4^)zinc(II) dimethyl sulfoxide disolvate","Acta Crystallographica Section E","2016","72","7","1032","1036","10.1107/S2056989016009853","","","0.71073","MoKα","","0.0366","0.0285","","","0.0706","0.0739","","","","","","1.05","","","","has coordinates,has Fobs","183937","2020-10-21","18:00:00",""
"2241739","7.9948","0.0003","11.3928","0.0004","15.7757","0.0006","90","","98.52","0.002","90","","1421.04","0.09","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","4-Amino-5-chloro-2,6-dimethylpyrimidinium thiophene-2,5-dicarboxylate","","- C12 H12 Cl N3 O4 S -","- C12 H12 Cl N3 O4 S -","- C48 H48 Cl4 N12 O16 S4 -","4","1","LH5814","Rajam, Ammaiyappan; Thomas Muthiah, Packianathan; Butcher, Ray J.; Zeller, Matthias","Crystal structure of 4-amino-5-chloro-2,6-dimethylpyrimidinium thiophene-2,5-dicarboxylate","Acta Crystallographica Section E","2016","72","7","1043","1046","10.1107/S2056989016010148","","","0.71073","MoKα","","0.081","0.0602","","","0.164","0.1851","","","","","","1.101","","","","has coordinates,has Fobs","183938","2020-10-21","18:00:00",""
"2241740","17.4072","0.0016","17.4072","0.0016","14.4881","0.001","90","","90","","90","","4390","0.6","100","2","100","2","","","","","","","","5","I 41 c d","I 4bw -2c","110","","<i>N</i>'-[(1<i>E</i>)-(5-Nitrofuran-2-yl)methylidene]thiophene-2-carbohydrazide","","- C10 H7 N3 O4 S -","- C10 H7 N3 O4 S -","- C160 H112 N48 O64 S16 -","16","1","HB7593","Cardoso, Laura N. F.; Nogueira, Thais C. M.; Wardell, James L.; Wardell, Solange M. S. V.; de Souza, Marcus V. N.; Jotani, Mukesh M.; Tiekink, Edward R. T.","<i>N</i>'-[(1<i>E</i>)-(5-Nitrofuran-2-yl)methylidene]thiophene-2-carbohydrazide: crystal structure and Hirshfeld surface analysis","Acta Crystallographica Section E","2016","72","7","1025","1031","10.1107/S2056989016009968","","","0.71073","MoKα","","0.0508","0.0449","","","0.1093","0.1134","","","","","","1.048","","","","has coordinates,has Fobs","183939","2020-10-21","18:00:00",""
"2241741","8.4039","0.0009","7.5206","0.0007","14.1667","0.0015","90","","90","","90","","895.37","0.16","300","2","300","2","","","","","","","","5","P n m a","-P 2ac 2n","62","C6H8N2ZnCl2","(Benzene-1,2-diamine-κ^2^<i>N</i>,<i>N</i>')dichloroidozinc","","- C6 H8 Cl2 N2 Zn -","- C6 H8 Cl2 N2 Zn -","- C24 H32 Cl8 N8 Zn4 -","4","0.5","LH5817","Zick, Patricia L.; Geiger, David K.","Structural characterization of two benzene-1,2-diamine complexes of zinc chloride: a molecular compound and a co-crystal salt","Acta Crystallographica Section E","2016","72","7","1037","1042","10.1107/S2056989016010033","","","0.71073","MoKa","","0.0229","0.0198","","","0.0493","0.0507","","","","","","1.091","","","","has coordinates,has Fobs","183940","2020-10-21","18:00:00",""
"2241742","18.529","0.002","12.6227","0.0016","7.8691","0.0008","90","","94.665","0.004","90","","1834.4","0.4","200","2","200","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","PLZ03172016","<i>trans</i>-Diaquabis(4,5-dimethylbenzene-1,2-diamine-κ^2^<i>N</i>,<i>N</i>')zinc chloride‒4,5-dimethylbenzene-1,2-diamine (1/2)","","- C32 H52 Cl2 N8 O2 Zn -","- C32 H52 Cl2 N8 O2 Zn -","- C64 H104 Cl4 N16 O4 Zn2 -","2","0.5","LH5817","Zick, Patricia L.; Geiger, David K.","Structural characterization of two benzene-1,2-diamine complexes of zinc chloride: a molecular compound and a co-crystal salt","Acta Crystallographica Section E","2016","72","7","1037","1042","10.1107/S2056989016010033","","","0.71073","MoKa","","0.0435","0.0311","","","0.0739","0.0793","","","","","","1.052","","","","has coordinates,has Fobs","183940","2020-10-21","18:00:00",""
"2241743","8.4152","0.0012","7.5141","0.0009","14.199","0.002","90","","90","","90","","897.8","0.2","200","2","200","2","","","","","","","","5","P n m a","-P 2ac 2n","62","PLZ09092015LT","(Benzene-1,2-diamine-κ^2^<i>N</i>,<i>N</i>')dichloroidozinc","","- C6 H8 Cl2 N2 Zn -","- C6 H8 Cl2 N2 Zn -","- C24 H32 Cl8 N8 Zn4 -","4","0.5","LH5817","Zick, Patricia L.; Geiger, David K.","Structural characterization of two benzene-1,2-diamine complexes of zinc chloride: a molecular compound and a co-crystal salt","Acta Crystallographica Section E","2016","72","7","1037","1042","10.1107/S2056989016010033","","","0.71073","MoKα","","0.0291","0.0267","","","0.0724","0.0736","","","","","","1.156","","","","has coordinates,has Fobs","183940","2020-10-21","18:00:00",""
"2241744","10.6849","0.001","7.454","0.0007","13.3961","0.0012","90","","93.482","0.002","90","","1064.97","0.17","294","2","294","2","","","","","","","","6","P 1 21 1","P 2yb","4","","Bis(4-methoxybenzylammonium) tetrachloridozincate","","- C16 H24 Cl4 N2 O2 Zn -","- C16 H24 Cl4 N2 O2 Zn -","- C32 H48 Cl8 N4 O4 Zn2 -","2","1","WM5302","Mahbouli Rhouma, Najla; Rayes, Ali; Mezzadri, Francesco; Calestani, Gianluca; Loukil, Mohamed","Crystal structure of non-centrosymmetric bis(4-methoxybenzylammonium) tetrachloridozincate","Acta Crystallographica Section E","2016","72","7","1050","1053","10.1107/S2056989016010069","","","0.71073","MoKα","","0.0487","0.0426","","","0.1033","0.1075","","","","","","1.075","","","","has coordinates,has disorder,has Fobs","183941","2020-10-21","18:00:00",""
"2241745","18.9274","0.0005","8.2441","0.0002","14.8654","0.0004","90","","124.165","0.001","90","","1919.28","0.09","100","","100","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Bis(<i>N</i>,<i>N</i>,<i>N</i>',<i>N</i>'-tetramethylguanidinium) tetrachloridocuprate(II)","","- C10 H28 Cl4 Cu N6 -","- C10 H28 Cl4 Cu N6 -","- C40 H112 Cl16 Cu4 N24 -","4","0.5","WM5303","Ndiaye, Mamadou; Samb, Abdoulaye; Diop, Libasse; Maris, Thierry","Crystal structure of bis(<i>N</i>,<i>N</i>,<i>N</i>',<i>N</i>'-tetramethylguanidinium) tetrachloridocuprate(II)","Acta Crystallographica Section E","2016","72","7","1047","1049","10.1107/S2056989016010161","","","1.34139","GaKα","","0.0288","0.0284","","","0.0709","0.0711","","","","","","1.107","","","","has coordinates,has Fobs","183942","2020-10-21","18:00:00",""
"2241746","11.7258","0.0002","12.7819","0.0002","6.8264","0.0001","90","","111.069","0.001","90","","954.73","0.03","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Disodium di(cobalt/iron) cobalt tris(orthovanadate)","","- Co2 Fe Na2 O12 V3 -","- Co2 Fe Na2 O12 V3 -","- Co8 Fe4 Na8 O48 V12 -","4","0.5","WM5292","Hadouchi, Mohammed; Assani, Abderrazzak; Saadi, Mohamed; El Ammari, Lahcen","The alluaudite-type crystal structures of Na~2~(Fe/Co)~2~Co(VO~4~)~3~ and Ag~2~(Fe/Co)~2~Co(VO~4~)~3~","Acta Crystallographica Section E","2016","72","7","1017","1020","10.1107/S2056989016009981","","","0.71073","MoKα","","0.0254","0.0217","","","0.0522","0.0537","","","","","","1.095","","","","has coordinates,has Fobs","183943","2020-10-21","18:00:00",""
"2241747","11.7846","0.0004","12.8314","0.0004","6.8064","0.0002","90","","111.001","0.001","90","","960.85","0.05","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Disilver di(cobalt/iron) cobalt tris(orthovanadate)","","- Ag1.97 Co1.98 Fe1.02 O12 V3 -","- Ag1.97 Co1.975 Fe1.025 O12 V3 -","- Ag7.88 Co7.9 Fe4.1 O48 V12 -","4","0.5","WM5292","Hadouchi, Mohammed; Assani, Abderrazzak; Saadi, Mohamed; El Ammari, Lahcen","The alluaudite-type crystal structures of Na~2~(Fe/Co)~2~Co(VO~4~)~3~ and Ag~2~(Fe/Co)~2~Co(VO~4~)~3~","Acta Crystallographica Section E","2016","72","7","1017","1020","10.1107/S2056989016009981","","","0.71073","MoKα","","0.0196","0.0179","","","0.0405","0.0412","","","","","","1.136","","","","has coordinates,has Fobs","183943","2020-10-21","18:00:00",""
"2241748","10.4408","0.0006","6.2129","0.0005","10.5052","0.0005","90","","90","","90","","681.45","0.07","140","2","140","1","","","","","","","","4","P n a 21","P 2c -2n","33","","4-Methyl-2,6,7-trioxa-1-phosphabicyclo[2.2.2]octane","","- C5 H9 O3 P -","- C5 H9 O3 P -","- C20 H36 O12 P4 -","4","1","LH5816","Said, Musa A.; Al Belewi, Bayan L.; Hughes, David L.","Crystal structure of 4-methyl-2,6,7-trioxa-1-phosphabicyclo[2.2.2]octane","Acta Crystallographica Section E","2016","72","7","1021","1024","10.1107/S2056989016009993","","","0.71073","Mo-Kα","","0.0393","0.0333","","","0.0809","0.0844","","","","","","1.106","","","","has coordinates,has Fobs","183944","2020-10-21","18:00:00",""
"2241749","14.691","0.002","14.691","0.002","20.075","0.004","90","","90","","90","","4332.7","1.2","100","2","100","","","","","","","","","5","I 41/a","-I 4ad","88","","Bis(1-ethyl-3-methylimidazolium) tetrabromidocadmate(II)","","- C12 H22 Br4 Cd N4 -","- C12 H22 Br4 Cd N4 -","- C96 H176 Br32 Cd8 N32 -","8","","WM5286","Dordević, Tamara; Gerger, Sabrina; Karanović, Ljiljana","Crystal structure of the tetragonal polymorph of bis(1-ethyl-3-methylimidazolium) tetrabromidocadmate","Acta Crystallographica Section E","2016","72","7","1013","1016","10.1107/S2056989016009919","","","0.71073","MoKα","","0.0687","0.037","","","0.067","0.0742","","","","","","0.963","","","","has coordinates,has Fobs","183945","2020-10-21","18:00:00",""
"2241750","7.8463","0.0005","16.2514","0.0009","10.2032","0.0006","90","","108.839","0.002","90","","1231.35","0.13","173","2","173.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","[3-(3-Nitrophenyl)oxiran-2-yl](phenyl)methanone","","- C15 H11 N O4 -","- C15 H11 N O4 -","- C60 H44 N4 O16 -","4","1","ZL2667","Greenberg, Fred H.; Nazarenko, Alexander Y.","Two polymorphs of <i>trans</i>-[3-(3-nitrophenyl)oxiran-2-yl](phenyl)methanone","Acta Crystallographica Section E","2016","72","7","1054","1059","10.1107/S2056989016010239","","","0.71073","MoKα","","0.0558","0.0439","","","0.1163","0.1245","","","","","","1.063","","","","has coordinates,has Fobs","184034","2020-10-21","18:00:00",""
"2241751","4.1615","0.0002","14.7498","0.0006","20.3168","0.0008","90","","90","","90","","1247.07","0.09","173","2","173.15","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","1-benzoyl-2-(m-nitrophenyl)ethylene oxide","[3-(3-Nitrophenyl)oxiran-2-yl](phenyl)methanone","","- C15 H11 N O4 -","- C15 H11 N O4 -","- C60 H44 N4 O16 -","4","1","","Greenberg, Fred H.; Nazarenko, Alexander Y.","Two polymorphs of <i>trans</i>-[3-(3-nitrophenyl)oxiran-2-yl](phenyl)methanone","Acta Crystallographica Section E","2016","72","7","1054","1059","10.1107/S2056989016010239","","","1.54178","CuKα","","0.0338","0.029","","","0.0685","0.0708","","","","","","1.055","","","","has coordinates,has Fobs","184034","2020-10-21","18:00:00",""
"2241752","5.6788","0.0003","5.6788","0.0003","18.3368","0.0014","90","","90","","120","","512.11","0.05","295","2","295","2","","","","","","","","5","P -3 m 1","-P 3 2""","164","","Trimagnesium beryllium octaaluminium hexadecaoxide","","- Al7.92 Be Cr0.15 Mg2.92 O16 -","- Al7.9235 Be Cr0.1525 Mg2.924 O16 -","- Al15.847 Be2 Cr0.305 Mg5.848 O32 -","2","0.166667","WM5296","Malcherek, Thomas; Schlüter, Jochen","Crystal structure of Cr-bearing Mg~3~BeAl~8~O~16~, a new polytype of magnesiotaaffeite-2<i>N</i>'2<i>S</i>","Acta Crystallographica Section E","2016","72","7","1060","1063","10.1107/S2056989016010215","","","0.71069","MoKα","","0.0186","0.018","","","0.04","0.0404","","","","","","0.834","","","","has coordinates,has Fobs","184035","2020-10-21","18:00:00",""
"2241753","13.601","0.004","13.304","0.005","8.978","0.009","90","","100.76","0.05","90","","1596","1.8","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Rubidium zinc Iron(III) phosphate","","- Fe O8 P2 Rb Zn -","- Fe O8 P2 Rb Zn -","- Fe8 O64 P16 Rb8 Zn8 -","8","1","BR2261","Badri, Abdessalem; Ben Amara, Mongi","RbZnFe(PO~4~)~2~: synthesis and crystal structure","Acta Crystallographica Section E","2016","72","8","1074","1076","10.1107/S205698901601046X","","","0.71073","MoKα","","0.0463","0.0358","","","0.1005","0.11","","","","","","1.049","","","","has coordinates,has Fobs","184287","2020-10-21","18:00:00",""
"2241754","9.0078","0.0004","17.4732","0.0007","15.5641","0.0007","90","","97.595","0.004","90","","2428.22","0.18","100","2","100","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","[(<i>Z</i>)-<i>N</i>-(3-Chlorophenyl)-<i>O</i>-methylthiocarbamato-κ<i>S</i>](triphenylphosphane-κ<i>P</i>)gold(I)","","- C26 H22 Au Cl N O P S -","- C26 H22 Au Cl N O P S -","- C104 H88 Au4 Cl4 N4 O4 P4 S4 -","4","1","HB7598","Yeo, Chien Ing; Tan, Sang Loon; Tiekink, Edward R. T.","A monoclinic polymorph of [(<i>Z</i>)-<i>N</i>-(3-chlorophenyl)-<i>O</i>-methylthiocarbamato-κ<i>S</i>](triphenylphosphane-κ<i>P</i>)gold(I): crystal structure and Hirshfeld surface analysis","Acta Crystallographica Section E","2016","72","8","1068","1073","10.1107/S2056989016010781","","","0.71073","MoKα","","0.0575","0.0399","","","0.079","0.0895","","","","","","1.052","","","","has coordinates,has Fobs","184288","2020-10-21","18:00:00",""
"2241755","10.264","0.0005","9.648","0.0005","12.048","0.0005","90","","96.204","0.005","90","","1186.09","0.1","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","(1<i>S</i>,2<i>S</i>,2'<i>R</i>,3a'<i>S</i>,5<i>R</i>)-2'-[(5-Bromo-1<i>H</i>-indol-3-yl)methyl]-2-isopropyl-5,5'-dimethyldihydro-2'<i>H</i>-spiro[cyclohexane-1,6'-imidazo[1,5-<i>b</i>]isoxazol]-4'(5'<i>H</i>)-one","","- C24 H32 Br N3 O2 -","- C24 H32 Br N3 O2 -","- C48 H64 Br2 N6 O4 -","2","1","ZS2365","Ghannay, Siwar; Brahmi, Jihed; Nasri, Soumaya; Aouadi, Kaïss; Jeanneau, Erwann; Msaddek, Moncef","Crystal structure of (1<i>S</i>,2<i>S</i>,2'<i>R</i>,3a'<i>S</i>,5<i>R</i>)-2'-[(5-bromo-1<i>H</i>-indol-3-yl)methyl]-2-isopropyl-5,5'-dimethyldihydro-2'<i>H</i>-spiro[cyclohexane-1,6'-imidazo[1,5-<i>b</i>]isoxazol]-4'(5'<i>H</i>)-one","Acta Crystallographica Section E","2016","72","8","1081","1084","10.1107/S2056989016010872","","","0.71073","MoKα","","0.0892","0.0529","","","0.1195","0.1351","","","","","","0.97","","","","has coordinates,has Fobs","184414","2020-10-21","18:00:00",""
"2241756","11.953","0.002","14.516","0.003","24.546","0.005","90","","101.024","0.004","90","","4180.4","1.4","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","2-Phenyl-3-[4-(trifluoromethyl)phenyl]-2,3-dihydro-4<i>H</i>-1,3-benzothiazin-4-one toluene hemisolvate","","- C49 H36 F6 N2 O2 S2 -","- C49 H36 F6 N2 O2 S2 -","- C196 H144 F24 N8 O8 S8 -","4","1","","Yennawar, Hemant P.; Coyle, David J.; Noble, Duncan J.; Yang, Ziwei; Silverberg, Lee J.","Crystal structures of three substituted 3-aryl-2-phenyl-2,3-dihydro-4<i>H</i>-1,3-benzothiazin-4-ones","Acta Crystallographica Section E","2016","72","8","1108","1112","10.1107/S2056989016011002","","","0.71073","MoKα","","0.1583","0.1327","","","0.2282","0.2396","","","","","","1.31","","","","has coordinates,has disorder","184415","2020-10-21","18:00:00",""
"2241757","15.736","0.002","9.353","0.0015","27.259","0.004","90","","99.56","0.003","90","","3956.2","1","298","2","298.15","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","3-(3-Bromophenyl)-2-phenyl-2,3-dihydro-4<i>H</i>-1,3-benzothiazin-4-one toluene hemisolvate","","- C47 H36 Br2 N2 O2 S2 -","- C47 H36 Br2 N2 O2 S2 -","- C188 H144 Br8 N8 O8 S8 -","4","0.5","","Yennawar, Hemant P.; Coyle, David J.; Noble, Duncan J.; Yang, Ziwei; Silverberg, Lee J.","Crystal structures of three substituted 3-aryl-2-phenyl-2,3-dihydro-4<i>H</i>-1,3-benzothiazin-4-ones","Acta Crystallographica Section E","2016","72","8","1108","1112","10.1107/S2056989016011002","","","0.71073","MoKα","","0.114","0.0489","","","0.1291","0.1526","","","","","","0.786","","","","has coordinates,has disorder","184415","2020-10-21","18:00:00",""
"2241758","17.82","0.004","11.016","0.003","17.89","0.004","90","","98.385","0.005","90","","3474.4","1.5","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","3-(4-Methoxyphenyl)-2-phenyl-4<i>H</i>-1,3-benzothiazin-4-one","","- C21 H17 N O2 S -","- C21 H17 N O2 S -","- C168 H136 N8 O16 S8 -","8","1","","Yennawar, Hemant P.; Coyle, David J.; Noble, Duncan J.; Yang, Ziwei; Silverberg, Lee J.","Crystal structures of three substituted 3-aryl-2-phenyl-2,3-dihydro-4<i>H</i>-1,3-benzothiazin-4-ones","Acta Crystallographica Section E","2016","72","8","1108","1112","10.1107/S2056989016011002","","","0.71073","MoKα","","0.0572","0.0452","","","0.1173","0.1254","","","","","","1.045","","","","has coordinates","184415","2020-10-21","18:00:00",""
"2241759","12.5318","0.0009","13.8181","0.0009","7.1159","0.0007","90","","111.95","0.02","90","","1142.9","0.2","298","2","298","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","Tetrasodium copper(II) tris[molybdate(VI)]","","- Cu Mo3 Na4 O12 -","- Cu Mo3 Na4 O12 -","- Cu4 Mo12 Na16 O48 -","4","0.5","PJ2032","Dridi, Wassim; Zid, Mohamed Faouzi","Synthesis, crystal structure and charge-distribution validation of β-Na~4~Cu(MoO~4~)~3~ adopting the alluadite structure-type","Acta Crystallographica Section E","2016","72","8","1103","1107","10.1107/S2056989016010367","","","0.71073","MoKα","","0.0242","0.0229","","","0.0573","0.0579","","","","","","1.174","","","","has coordinates,has Fobs","184416","2020-10-21","18:00:00",""
"2241760","26.7161","0.001","16.6111","0.0006","24.9673","0.0008","90","","103.538","0.001","90","","10772.2","0.7","130","2","130","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","[Fe(TTP)(2-MeHim)2]ClO4","Bis(2-methyl-1<i>H</i>-imidazole-κ<i>N</i>^3^)(<i>meso</i>-tetra-<i>p</i>-tolyl)porphyrinato-κ^4^<i>N</i>)iron(III) perchlorate tetrahydrofuran sesquisolvate","","- C62 H60 Cl Fe N8 O5.5 -","- C62 H60 Cl Fe N8 O5.5 -","- C496 H480 Cl8 Fe8 N64 O44 -","8","1","RZ5191","Sun, Wenyan; Li, Jianfeng","Crystal structure of bis(2-methyl-1<i>H</i>-imidazole-κ<i>N</i>^3^)(<i>meso</i>-tetra-<i>p</i>-tolylporphyrinato-κ^4^<i>N</i>)iron(III) perchlorate tetrahydrofuran sesquisolvate","Acta Crystallographica Section E","2016","72","8","1116","1120","10.1107/S2056989016010562","","","0.71073","MoKα","","0.0641","0.0476","","","0.1201","0.1325","","","","","","1.044","","","","has coordinates,has disorder,has Fobs","184417","2020-10-21","18:00:00",""
"2241761","6.7139","0.0007","9.5116","0.0007","15.2115","0.0013","90","","101.151","0.006","90","","953.07","0.15","115","2","115","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","2-Methyl-1<i>H</i>-imidazol-3-ium hydrogen oxalate dihydrate","","- C6 H12 N2 O6 -","- C6 H12 N2 O6 -","- C24 H48 N8 O24 -","4","1","HB7595","Diop, Mouhamadou Birame; Diop, Libasse; Plasseraud, Laurent; Cattey, Hélène","Crystal structure of 2-methyl-1<i>H</i>-imidazol-3-ium hydrogen oxalate dihydrate","Acta Crystallographica Section E","2016","72","8","1113","1115","10.1107/S2056989016011038","","","0.71073","MoKα","","0.1013","0.0428","","","0.0904","0.1151","","","","","","1.013","","","","has coordinates,has Fobs","184418","2020-10-21","18:00:00",""
"2241762","7.799","0.003","7.014","0.003","27.64","0.018","90","","90.18","0.06","90","","1512","1.3","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C20 H14 N2 O3 -","- C20 H14 N2 O3 -","- C80 H56 N8 O12 -","4","1","","Gomes, Lígia R.; Low, John Nicolson; Fonseca, André; Matos, Maria João; Borges, Fernanda","6-Methyl-2-oxo-<i>N</i>-(quinolin-6-yl)-2<i>H</i>-chromene-3-carboxamide: crystal structure and Hirshfeld surface analysis","Acta Crystallographica Section E","2016","72","8","1121","1125","10.1107/S2056989016011026","","","0.68891","synchrotron'","","0.06","0.0508","","","0.1489","0.1561","","","","","","1.131","","","","has coordinates","184419","2020-10-21","18:00:00",""
"2241763","11.9423","0.0007","12.1314","0.001","12.8974","0.001","90","","107.032","0.004","90","","1786.6","0.2","173","2","173","2","","","","","","","","6","P 1 21 1","P 2yb","4","","Bis{(<i>E</i>)-1-[(2,4,6-tribromophenyl)diazenyl]naphthalen-2-olato}copper(II)","","- C32 H16 Br6 Cu N4 O2 -","- C32 H16 Br6 Cu N4 O2 -","- C64 H32 Br12 Cu2 N8 O4 -","2","1","SU5299","Chetioui, Souheyla; Rouag, Djamil-Azzeddine; Djukic, Jean-Pierre; Bochet, Christian G.; Touzani, Rachid; Bailly, Corinne; Crochet, Aurélien; Fromm, Katharina M.","Crystal structures of a copper(II) and the isotypic nickel(II) and palladium(II) complexes of the ligand (<i>E</i>)-1-[(2,4,6-tribromophenyl)diazenyl]naphthalen-2-ol","Acta Crystallographica Section E","2016","72","8","1093","1098","10.1107/S205698901601080X","","","0.71073","MoKα","","0.115","0.0643","","","0.1255","0.1398","","","","","","0.957","","","","has coordinates,has Fobs","184420","2020-10-21","18:00:00",""
"2241764","11.0909","0.0006","12.4571","0.0006","12.5382","0.0007","90","","107.82","0.002","90","","1649.17","0.15","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Bis{(<i>E</i>)-1-[(2,4,6-tribromophenyl)diazenyl]naphthalen-2-olato}nickel(II)","","- C32 H16 Br6 N4 Ni O2 -","- C32 H16 Br6 N4 Ni O2 -","- C64 H32 Br12 N8 Ni2 O4 -","2","0.5","SU5299","Chetioui, Souheyla; Rouag, Djamil-Azzeddine; Djukic, Jean-Pierre; Bochet, Christian G.; Touzani, Rachid; Bailly, Corinne; Crochet, Aurélien; Fromm, Katharina M.","Crystal structures of a copper(II) and the isotypic nickel(II) and palladium(II) complexes of the ligand (<i>E</i>)-1-[(2,4,6-tribromophenyl)diazenyl]naphthalen-2-ol","Acta Crystallographica Section E","2016","72","8","1093","1098","10.1107/S205698901601080X","","","0.71073","MoKα","","0.0982","0.0431","","","0.0797","0.0957","","","","","","0.953","","","","has coordinates,has Fobs","184420","2020-10-21","18:00:00",""
"2241765","11.1896","0.0008","12.454","0.0008","12.5511","0.0009","90","","107.749","0.005","90","","1665.8","0.2","200","2","200","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Bis{(<i>E</i>)-1-[(2,4,6-tribromophenyl)diazenyl]naphthalen-2-olato}palladium(II)","","- C32 H16 Br6 N4 O2 Pd -","- C32 H16 Br6 N4 O2 Pd -","- C64 H32 Br12 N8 O4 Pd2 -","2","0.5","SU5299","Chetioui, Souheyla; Rouag, Djamil-Azzeddine; Djukic, Jean-Pierre; Bochet, Christian G.; Touzani, Rachid; Bailly, Corinne; Crochet, Aurélien; Fromm, Katharina M.","Crystal structures of a copper(II) and the isotypic nickel(II) and palladium(II) complexes of the ligand (<i>E</i>)-1-[(2,4,6-tribromophenyl)diazenyl]naphthalen-2-ol","Acta Crystallographica Section E","2016","72","8","1093","1098","10.1107/S205698901601080X","","","1.54186","CuKα","","0.0681","0.0572","","","0.155","0.1698","","","","","","1.105","","","","has coordinates,has Fobs","184420","2020-10-21","18:00:00",""
"2241766","16.884","0.002","14.4021","0.0015","17.327","0.002","90","","109.112","0.003","90","","3981.1","0.8","153","2","153","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","[μ~2~-<i>trans</i>-1,2-Bis(pyridin-4-yl)ethene-κ^2^<i>N</i>:<i>N</i>']bis{[1,2-bis(pyridin-4-yl)ethene-κ<i>N</i>]bis[<i>N</i>-(2-hydroxyethyl)-<i>N</i>-<i>N</i>-isopropyldithiocarbamato-κ^2^<i>S</i>,<i>S</i>']cadmium} acetonitrile tetrasolvate:","","- C68 H90 Cd2 N14 O4 S8 -","- C68 H90 Cd2 N14 O4 S8 -","- C136 H180 Cd4 N28 O8 S16 -","2","0.5","HB7594","Jotani, Mukesh M.; Poplaukhin, Pavel; Arman, Hadi D.; Tiekink, Edward R. T.","[μ~2~-<i>trans</i>-1,2-Bis(pyridin-4-yl)ethene-κ^2^<i>N</i>:<i>N</i>']bis{[1,2-bis(pyridin-4-yl)ethene-κ<i>N</i>]bis[<i>N</i>-(2-hydroxyethyl)-<i>N</i>-isopropyldithiocarbamato-κ^2^<i>S</i>,<i>S</i>']cadmium} acetonitrile tetrasolvate: crystal structure and Hirshfeld surface analysis","Acta Crystallographica Section E","2016","72","8","1085","1092","10.1107/S2056989016010768","","","0.71073","MoKα","","0.0497","0.0467","","","0.1129","0.1152","","","","","","1.129","","","","has coordinates,has Fobs","184421","2020-10-21","18:00:00",""
"2241767","22.5212","0.0007","10.1879","0.0004","17.3592","0.0005","90","","105.801","0.003","90","","3832.5","0.2","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","2-Benzoylamino-<i>N</i>'-(4-hydroxybenzylidene)-3-(thiophen-2-yl)prop-2-enohydrazide","","- C21 H17 N3 O3 S -","- C21 H17 N3 O3 S -","- C168 H136 N24 O24 S8 -","8","1","HB7597","Subbulakshmi, Karanth N.; Narayana, Badiadka; Yathirajan, Hemmige S.; Jasinski, Jerry P.; Rathore, Ravindranath S.; Glidewell, Christopher","Crystal structure of 2-benzoylamino-<i>N</i>'-(4-hydroxybenzylidene)-3-(thiophen-2-yl)prop-2-enohydrazide","Acta Crystallographica Section E","2016","72","8","1099","1102","10.1107/S2056989016010975","","","0.71073","MoKα","","0.0588","0.0426","","","0.1029","0.1134","","","","","","1.04","","","","has coordinates,has Fobs","184422","2020-10-21","18:00:00",""
"2241768","6.8925","0.0004","7.6352","0.0004","8.0605","0.0006","95.063","0.005","105.135","0.006","107.647","0.005","383.69","0.05","295","2","295","2","","","","","","","","4","P -1","-P 1","2","","6,7-Dihydroxy-6,7-dihydro-3<i>H</i>-imidazo[1,2-<i>a</i>]\ purin-9(5<i>H</i>)-one","","- C7 H7 N5 O3 -","- C7 H7 N5 O3 -","- C14 H14 N10 O6 -","2","1","XU5887","Guo, Wei; Li, Cheng-Xun; Lv, Jie; Wang, Jing","Crystal structure of 6,7-dihydroxy-6,7-dihydro-3<i>H</i>-imidazo[1,2-<i>a</i>]purin-9(5<i>H</i>)-one","Acta Crystallographica Section E","2016","72","8","1147","1149","10.1107/S2056989016009087","","","1.54178","CuKα","","0.0618","0.0574","","","0.1693","0.1804","","","","","","1.003","","","","has coordinates,has Fobs","184526","2020-10-21","18:00:00",""
"2241769","14.7179","0.0007","7.5783","0.0004","11.5451","0.0005","90","","102.999","0.004","90","","1254.7","0.11","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(2<i>E</i>)-1-(5-Chlorothiophen-2-yl)-3-(2-methylphenyl)prop-2-en-1-one","","- C14 H11 Cl O S -","- C14 H11 Cl O S -","- C56 H44 Cl4 O4 S4 -","4","1","SU5313","Girisha, Marisiddaiah; Yathirajan, Hemmige S.; Jasinski, Jerry P.; Glidewell, Christopher","The crystal structures of two chalcones: (2<i>E</i>)-1-(5-chlorothiophen-2-yl)-3-(2-methylphenyl)prop-2-en-1-one and (2<i>E</i>)-1-(anthracen-9-yl)-3-[4-(propan-2-yl)phenyl]prop-2-en-1-one","Acta Crystallographica Section E","2016","72","8","1153","1158","10.1107/S2056989016011592","","","0.71073","MoKα","","0.0615","0.0395","","","0.0815","0.0942","","","","","","1.035","","","","has coordinates,has Fobs","184527","2020-10-21","18:00:00",""
"2241770","9.015","0.0004","14.0601","0.0006","16.2611","0.0008","105.146","0.004","95.967","0.004","98.057","0.004","1948.46","0.16","296","2","296","2","","","","","","","","3","P -1","-P 1","2","","(2<i>E</i>)-1-(Anthracen-9-yl)-3-[4-(propan-2-yl)phenyl]prop-2-en-1-one","","- C26 H22 O -","- C26 H22 O -","- C104 H88 O4 -","4","2","SU5313","Girisha, Marisiddaiah; Yathirajan, Hemmige S.; Jasinski, Jerry P.; Glidewell, Christopher","The crystal structures of two chalcones: (2<i>E</i>)-1-(5-chlorothiophen-2-yl)-3-(2-methylphenyl)prop-2-en-1-one and (2<i>E</i>)-1-(anthracen-9-yl)-3-[4-(propan-2-yl)phenyl]prop-2-en-1-one","Acta Crystallographica Section E","2016","72","8","1153","1158","10.1107/S2056989016011592","","","1.54184","CuKα","","0.0726","0.0501","","","0.1286","0.1425","","","","","","1.038","","","","has coordinates,has disorder,has Fobs","184527","2020-10-21","18:00:00",""
"2241771","7.256","0.0015","20.654","0.004","7.016","0.0014","90","","94.63","0.03","90","","1048","0.4","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","Yttrium copper (II) tellurite (IV) nitrate trihydrate","Yttrium(III) copper(II) bis[trioxidotellurate(IV)] nitrate trihydrate","","- Cu H6 N O12 Te2 Y -","- Cu H6 N O12 Te2 Y -","- Cu4 H24 N4 O48 Te8 Y4 -","4","1","WM5307","Mills, Stuart J.; Dunstan, Maja A.; Christy, Andrew G.","YCu(TeO~3~)~2~(NO~3~)(H~2~O)~3~: a novel layered tellurite","Acta Crystallographica Section E","2016","72","8","1138","1142","10.1107/S2056989016011464","","","0.71073","synchrotron","","0.0338","0.0329","","","0.0733","0.0737","","","","","","1.14","","","","has coordinates,has Fobs","184528","2020-10-21","18:00:00",""
"2241772","7.7474","0.0006","11.1404","0.0008","19.208","0.002","90","","90","","90","","1657.8","0.2","150","","150","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C17 H28 N2 O3 -","- C17 H28 N2 O3 -","- C68 H112 N8 O12 -","4","1","ZS2363","Abda, Heithem; Ezzayani, Khaireddine; Aouadi, Kaiss; Guerfel, Taha; Vidal, Sebastien; Msaddek, Moncef","Crystal structure of 2-isopropyl-5,7'-dimethyl-1',3',3a',6',8a',8b'-hexahydrospiro[cyclohexane-1,6'-furo[3,4-<i>d</i>]imidazo[1,5-<i>b</i>]isoxazol]-8'(7'<i>H</i>)-one","Acta Crystallographica Section E","2016","72","8","1150","1152","10.1107/S2056989016010641","","","1.5418","CuKα","","0.046","0.0423","","0.0957","0.0887","0.0957","","","","","","1.0287","","","","has coordinates,has Fobs","184529","2020-10-21","18:00:00",""
"2241773","10.4097","0.0002","13.2714","0.0003","6.5481","0.0002","90","","90","","90","","904.63","0.04","296","2","296","2","","","","","","","","5","I m m a","-I 2b 2","74","","Strontium dicobalt iron(III) tris(orthophosphate)","","- Co2 Fe O12 P3 Sr -","- Co2 Fe O12 P3 Sr -","- Co8 Fe4 O48 P12 Sr4 -","4","0.25","PK2584","Bouraima, Adam; Makani, Thomas; Assani, Abderrazzak; Saadi, Mohamed; El Ammari, Lahcen","Crystal structure of strontium dicobalt iron(III) tris(orthophosphate): SrCo~2~Fe(PO~4~)~3~","Acta Crystallographica Section E","2016","72","8","1143","1146","10.1107/S2056989016011373","","","0.71073","MoKα","","0.0184","0.0171","","","0.0452","0.0457","","","","","","1.155","","","","has coordinates,has Fobs","184530","2020-10-21","18:00:00",""
"2241774","18.3808","0.0014","8.2809","0.0004","19.083","0.003","90","","118.071","0.008","90","","2562.9","0.5","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","Bis[<i>N</i>,<i>N</i>-bis(2-methoxyethyl)dithiocarbamato-κ^2^<i>S</i>,<i>S</i>']diphenyltin(IV)","","- C22 H30 N2 O2 S4 Sn -","- C22 H30 N2 O2 S4 Sn -","- C88 H120 N8 O8 S16 Sn4 -","4","0.5","HB7599","Mohamad, Rapidah; Awang, Normah; Jotani, Mukesh M.; Tiekink, Edward R. T.","Distinct coordination geometries in bis[<i>N</i>,<i>N</i>-bis(2-methoxyethyl)dithiocarbamato-κ^2^<i>S</i>,<i>S</i>']diphenyltin(IV) and bis[<i>N</i>-(2-methoxyethyl)-<i>N</i>-methyldithiocarbamato-κ^2^<i>S</i>,<i>S</i>']diphenyltin(IV): crystal structures and Hirshfeld surface analysis","Acta Crystallographica Section E","2016","72","8","1130","1137","10.1107/S2056989016011385","","","0.71073","MoKα","","0.0304","0.0256","","","0.0604","0.0628","","","","","","1.065","","","","has coordinates,has Fobs","184531","2020-10-21","18:00:00",""
"2241775","7.4386","0.0004","14.3334","0.0008","16.5398","0.001","110.32","0.005","91.282","0.005","101.865","0.004","1609.93","0.17","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","Bis[<i>N</i>-(2-methoxyethyl)-<i>N</i>-methyldithiocarbamato-κ^2^<i>S</i>,<i>S</i>']diphenyltin(IV)","","- C26 H38 N2 O4 S4 Sn -","- C26 H38 N2 O4 S4 Sn -","- C52 H76 N4 O8 S8 Sn2 -","2","1","HB7599","Mohamad, Rapidah; Awang, Normah; Jotani, Mukesh M.; Tiekink, Edward R. T.","Distinct coordination geometries in bis[<i>N</i>,<i>N</i>-bis(2-methoxyethyl)dithiocarbamato-κ^2^<i>S</i>,<i>S</i>']diphenyltin(IV) and bis[<i>N</i>-(2-methoxyethyl)-<i>N</i>-methyldithiocarbamato-κ^2^<i>S</i>,<i>S</i>']diphenyltin(IV): crystal structures and Hirshfeld surface analysis","Acta Crystallographica Section E","2016","72","8","1130","1137","10.1107/S2056989016011385","","","0.71073","MoKα","","0.0418","0.0312","","","0.0696","0.0782","","","","","","1.058","","","","has coordinates,has Fobs","184531","2020-10-21","18:00:00",""
"2241776","11.782","0.005","16.741","0.005","14.147","0.005","90","","98.013","0.005","90","","2763.1","1.7","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","6'-Ferrocenyl-6a'-nitro-6',6a',6b',7',9',11a'-hexahydro-2<i>H</i>-\ spiro[acenaphthylene-1,11'-chromeno[3',4':3,4]pyrrolo[1,2-<i>c</i>]thiazol]-\ 2-one","","- C34 H26 Fe N2 O4 S -","- C34 H26 Fe N2 O4 S -","- C136 H104 Fe4 N8 O16 S4 -","4","1","BG2588","Viswanathan, Vijayan; Rao, Naga Siva; Raghunathan, Raghavachary; Velmurugan, Devadasan","Crystal structures of two substituted thiazolidine derivatives","Acta Crystallographica Section E","2016","72","8","1126","1129","10.1107/S2056989016011336","","","0.71073","MoKα","","0.0511","0.0348","","","0.0886","0.0968","","","","","","1.032","","","","has coordinates,has Fobs","184532","2020-10-21","18:00:00",""
"2241777","11.1123","0.0005","11.6373","0.0002","12.4095","0.0003","117.812","0.001","110.812","0.001","95.468","0.001","1258.89","0.07","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","6'-(4-Methoxyphenyl)-6a'-nitro-6',6a',6b',7',9',11a'-hexahydro-2<i>H</i>-spiro[acenaphthylene-1,11'-chromeno[3',4':3,4]pyrrolo[1,2-<i>c</i>]thiazol]-2-one","","- C31 H24 N2 O5 S -","- C31 H24 N2 O5 S -","- C62 H48 N4 O10 S2 -","2","1","BG2588","Viswanathan, Vijayan; Rao, Naga Siva; Raghunathan, Raghavachary; Velmurugan, Devadasan","Crystal structures of two substituted thiazolidine derivatives","Acta Crystallographica Section E","2016","72","8","1126","1129","10.1107/S2056989016011336","","","0.71073","MoKα","","0.0478","0.0373","","","0.0973","0.1047","","","","","","1.043","","","","has coordinates,has Fobs","184532","2020-10-21","18:00:00",""
"2241778","3.8486","0.0008","14.676","0.002","16.866","0.003","90","","92.12","0.02","90","","952","0.3","299","2","299","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","Bergapten","4-Methoxy-7<i>H</i>-furo[3,2-<i>g</i>]chromen-7-one","","- C12 H8 O4 -","- C12 H8 O4 -","- C48 H32 O16 -","4","1","","Bauri, A. K.; Foro, Sabine; Nhu Do, Quynh Nguyen","Crystal structure of bergapten: a photomutagenic and photobiologically active furanocoumarin","Acta Crystallographica Section E","2016","72","8","1194","1196","10.1107/S2056989016011221","","","0.71073","MoKα","","0.1088","0.0546","","","0.1223","0.1377","","","","","","0.855","","","","has coordinates,has Fobs","184618","2020-10-21","18:00:00",""
"2241779","14.6207","0.0004","8.016","0.0003","22.2892","0.0005","90","","101.725","0.003","90","","2557.78","0.13","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","<i>catena</i>-Poly[[aquabis(4-cyanobenzoato-κ<i>O</i>)copper(II)]-μ-<i>N</i>,<i>N</i>-diethylnicotinamide-κ^2^<i>N</i>^1^:<i>O</i>]","","- C26 H24 Cu N4 O6 -","- C26 H24 Cu N4 O6 -","- C104 H96 Cu4 N16 O24 -","4","1","GK2662","Akduran, Nurcan; Necefoğlu, Hacali; Aydoğdu, Ömer; Hökelek, Tuncer","Crystal structure of <i>catena</i>-poly[[aquabis(4-cyanobenzoato-κ<i>O</i>)copper(II)]-μ-<i>N</i>,<i>N</i>-diethylnicotinamide-κ^2^<i>N</i>^1^:<i>O</i>]","Acta Crystallographica Section E","2016","72","8","1183","1186","10.1107/S205698901601183X","","","0.71073","MoKα","","0.0658","0.0423","","","0.0943","0.1027","","","","","","1.046","","","","has coordinates,has Fobs","184619","2020-10-21","18:00:00",""
"2241780","7.2326","0.0001","14.3442","0.0002","14.094","0.0003","90","","90","","90","","1462.19","0.04","293","2","293","2","","","","","","","","5","P n a 21","P 2c -2n","33","","2-[(4,6-Diaminopyrimidin-2-yl)sulfanyl]-<i>N</i>-(3-nitrophenyl)acetamide monohydrate","","- C12 H14 N6 O4 S -","- C12 H14 N6 O4 S -","- C48 H56 N24 O16 S4 -","4","1","SU5311","Subasri, S.; Timiri, Ajay Kumar; Barji, Nayan Sinha; Venkatesh, Jayaprakash; Vijayan, Viswanathan; Velmurugan, Devadasan","Crystal structures of 2-[(4,6-diaminopyrimidin-2-yl)sulfanyl]-<i>N</i>-(3-nitrophenyl)acetamide monohydrate and <i>N</i>-(2-chlorophenyl)-2-[(4,6-diaminopyrimidin-2-yl)sulfanyl]acetamide","Acta Crystallographica Section E","2016","72","8","1171","1175","10.1107/S2056989016011658","","","0.71073","MoKα","","0.0304","0.0271","","","0.0671","0.0693","","","","","","1.039","","","","has coordinates,has Fobs","184620","2020-10-21","18:00:00",""
"2241781","7.2528","0.0002","7.6249","0.0003","13.0649","0.0004","91.41","0.002","105.924","0.002","94.647","0.002","691.68","0.04","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","<i>N</i>-(2-Chlorophenyl)-2-[(4,6-diaminopyrimidin-2-yl)sulfanyl]acetamide","","- C12 H12 Cl N5 O S -","- C12 H12 Cl N5 O S -","- C24 H24 Cl2 N10 O2 S2 -","2","1","SU5311","Subasri, S.; Timiri, Ajay Kumar; Barji, Nayan Sinha; Venkatesh, Jayaprakash; Vijayan, Viswanathan; Velmurugan, Devadasan","Crystal structures of 2-[(4,6-diaminopyrimidin-2-yl)sulfanyl]-<i>N</i>-(3-nitrophenyl)acetamide monohydrate and <i>N</i>-(2-chlorophenyl)-2-[(4,6-diaminopyrimidin-2-yl)sulfanyl]acetamide","Acta Crystallographica Section E","2016","72","8","1171","1175","10.1107/S2056989016011658","","","0.71073","MoKα","","0.0392","0.0354","","","0.0957","0.0994","","","","","","1.037","","","","has coordinates,has Fobs","184620","2020-10-21","18:00:00",""
"2241782","15.5186","0.0007","5.1007","0.0002","10.925","0.0005","90","","107.651","0.005","90","","824.06","0.07","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Glycidamide","Oxirane-2-carboxamide","","- C3 H5 N O2 -","- C3 H5 N O2 -","- C24 H40 N8 O16 -","8","2","","Hemgesberg, Melanie N.; Bonck, Thorsten; Merz, Karl-Heinz; Sun, Yu; Schrenk, Dieter","Crystal structure of glycidamide: the mutagenic and genotoxic metabolite of acrylamide","Acta Crystallographica Section E","2016","72","8","1179","1182","10.1107/S2056989016010859","","","1.54184","CuKα","","0.0374","0.035","","","0.0909","0.0932","","","","","","1.104","","","","has coordinates,has Fobs","184621","2020-10-21","18:00:00",""
"2241783","12.3075","0.0004","13.9332","0.0007","18.6716","0.0009","90","","90","","90","","3201.9","0.2","180","2","180","2","","","","","","","","4","P 21 21 2","P 2 2ab","18","","(1<i>S</i>,3<i>R</i>,8<i>R</i>,9<i>R</i>)-2,2-Dichloro-3,7,7-trimethyl-10-methylenetricyclo[6.4.0.0^1,3^]dodecan-9-ol","","- C16 H24 Cl2 O -","- C16 H24 Cl2 O -","- C128 H192 Cl16 O8 -","8","2","PK2583","Benzalim, Ahmed; Auhmani, Aziz; Bimoussa, Abdoullah; Ait Itto, My Youssef; Daran, Jean-Claude; Auhmani, Abdelwahed","Crystal structure of (1<i>S</i>,3<i>R</i>,8<i>R</i>,9<i>R</i>)-2,2-dichloro-3,7,7-trimethyl-10-methylenetricyclo[6.4.0.0^1,3^]dodecan-9-ol","Acta Crystallographica Section E","2016","72","8","1163","1166","10.1107/S2056989016011166","","","0.71073","MoKα","","0.0592","0.0467","","","0.112","0.1211","","","","","","1.06","","","","has coordinates,has disorder,has Fobs","184622","2020-10-21","18:00:00",""
"2241784","8.0205","0.0003","7.8434","0.0003","21.3454","0.0009","90","","92.565","0.002","90","","1341.45","0.09","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Bis[2,5-bis(pyridin-2-yl)-1,3,4-thiadiazole-κ^2^<i>N</i>^2^,<i>N</i>^3^]bis(thiocyanato-κ<i>S</i>)copper(II)","","- C26 H16 Cu N10 S4 -","- C26 H16 Cu N10 S4 -","- C52 H32 Cu2 N20 S8 -","2","0.5","RZ5192","Laachir, Abdelhakim; Bentiss, Fouad; Guesmi, Salaheddine; Saadi, Mohamed; El Ammari, Lahcen","Crystal structure of bis[2,5-bis(pyridin-2-yl)-1,3,4-thiadiazole-κ^2^<i>N</i>^2^,<i>N</i>^3^]bis(thiocyanato-κ<i>S</i>)copper(II)","Acta Crystallographica Section E","2016","72","8","1176","1178","10.1107/S2056989016011713","","","0.71073","MoKα","","0.0541","0.0359","","","0.0871","0.0972","","","","","","1.042","","","","has coordinates,has Fobs","184623","2020-10-21","18:00:00",""
"2241785","7.6878","0.0004","9.2782","0.0005","10.8111","0.0006","106.162","0.002","100.887","0.002","110.009","0.002","660.57","0.06","100","","100","","","","","","","","","5","P -1","-P 1","2","","4,4-Dibromo-1-(3,4-dimethoxyphenyl)-2-azabuta-1,3-diene-1-carbonitrile","","- C12 H10 Br2 N2 O2 -","- C12 H10 Br2 N2 O2 -","- C24 H20 Br4 N4 O4 -","2","1","PK2582","Chaabene, Marwa; Khatyr, Abderrahim; Knorr, Michael; Askri, Moheddine; Rousselin, Yoann; Kubicki, Marek M.","Crystal structure of 4,4-dibromo-1-(3,4-dimethoxyphenyl)-2-azabuta-1,3-diene-1-carbonitrile","Acta Crystallographica Section E","2016","72","8","1167","1170","10.1107/S2056989016011075","","","0.71073","MoKα","","0.0432","0.0272","","","0.0607","0.067","","","","","","1.034","","","","has coordinates,has Fobs","184624","2020-10-21","18:00:00",""
"2241786","7.5731","0.0009","22.1795","0.0016","8.3093","0.0016","90","","117.967","0.01","90","","1232.7","0.3","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","2,4-Dichloro-<i>N</i>-[(<i>E</i>)-(5-nitrothiophen-2-yl)methylidene]aniline","","- C11 H6 Cl2 N2 O2 S -","- C11 H6 Cl2 N2 O2 S -","- C44 H24 Cl8 N8 O8 S4 -","4","1","PK2586","Köysal, Yavuz; Bülbül, Hakan; Gümüş, Sümeyye; Ağar, Erbil; Soylu, Mustafa Serkan","Crystal structure and computational study of 2,4-dichloro-<i>N</i>-[(<i>E</i>)-(5-nitrothiophen-2-yl)methylidene]aniline","Acta Crystallographica Section E","2016","72","8","1187","1189","10.1107/S2056989016011816","","","0.71073","MoKα","","0.1298","0.0632","","","0.0938","0.1383","","","","","","1.09","","","","has coordinates,has Fobs","184625","2020-10-21","18:00:00",""
"2241787","14.241","0.002","8.7129","0.0014","16.393","0.003","90","","102.56","0.002","90","","1985.4","0.6","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Bis(1-hexyl-<i>N</i>,<i>N</i>-dimethylpyridinium) bis(maleonitriledithiolato)nickelate(II)","","","- C34 H46 N8 Ni S4 -","- C34 H46 N8 Ni S4 -","- C68 H92 N16 Ni2 S8 -","2","0.5","ZS2364","Yu, Shan-Shan; Zhang, Hui","Crystal structure of bis(1-hexyl-<i>N</i>,<i>N</i>-dimethylpyridinium) bis(maleonitriledithiolato)nickelate(II)","Acta Crystallographica Section E","2016","72","8","1197","1200","10.1107/S2056989016011191","","","0.71073","MoKα","","0.0829","0.0467","","","0.1147","0.1423","","","","","","0.996","","","","has coordinates,has Fobs","184676","2020-10-21","18:00:00",""
"2241788","6.9661","0.0006","8.0082","0.0006","16.9007","0.0013","78.907","0.002","79.128","0.002","88.886","0.002","908.46","0.13","100","2","99.95","","","","","","","","","6","P -1","-P 1","2","","<i>fac</i>-Tricarbonylchlorido(6,6'-dihydroxy-2,2'-bipyridine)rhenium(I) tetrahydrofuran monosolvate","","- C17 H16 Cl N2 O6 Re -","- C17 H16 Cl N2 O6 Re -","- C34 H32 Cl2 N4 O12 Re2 -","2","1","IS5457","Lense, Sheri; Piro, Nicholas A.; Kassel, Scott W.; Wildish, Andrew; Jeffery, Brent","Crystal structures of <i>fac</i>-tricarbonylchlorido(6,6'-dihydroxy-2,2'-bipyridine)rhenium(I) tetrahydrofuran monosolvate and <i>fac</i>-bromidotricarbonyl(6,6'-dihydroxy-2,2'-bipyridine)manganese(I) tetrahydrofuran monosolvate","Acta Crystallographica Section E","2016","72","8","1201","1205","10.1107/S2056989016011841","","","0.71073","MoKα","","0.045","0.033","","","0.0591","0.0628","","","","","","1.005","","","","has coordinates,has disorder,has Fobs","184731","2020-10-21","18:00:00",""
"2241789","10.2401","0.0012","13.1783","0.0015","14.248","0.0016","90","","106.228","0.003","90","","1846.1","0.4","100","2","100.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","<i>fac</i>-Bromidotricarbonyl(6,6'-dihydroxy-2,2'-bipyridine)manganese(I) tetrahydrofuran monosolvate","","- C17 H16 Br Mn N2 O6 -","- C17 H16 Br Mn N2 O6 -","- C68 H64 Br4 Mn4 N8 O24 -","4","1","IS5457","Lense, Sheri; Piro, Nicholas A.; Kassel, Scott W.; Wildish, Andrew; Jeffery, Brent","Crystal structures of <i>fac</i>-tricarbonylchlorido(6,6'-dihydroxy-2,2'-bipyridine)rhenium(I) tetrahydrofuran monosolvate and <i>fac</i>-bromidotricarbonyl(6,6'-dihydroxy-2,2'-bipyridine)manganese(I) tetrahydrofuran monosolvate","Acta Crystallographica Section E","2016","72","8","1201","1205","10.1107/S2056989016011841","","","0.71073","MoKα","","0.0425","0.0267","","","0.0555","0.0606","","","","","","1.006","","","","has coordinates,has Fobs","184731","2020-10-21","18:00:00",""
"2241790","7.8919","0.0007","10.5898","0.0007","12.0875","0.0012","90","","102.061","0.011","90","","987.9","0.15","223","2","223","2","","","","","","","","6","P 1 2/n 1","-P 2yac","13","","<i>catena</i>-Poly[[dichloridocadmium(II)]-μ-5,6-bis(pyridin-2-yl)pyrazine-2,3-dicarboxylato-κ^2^<i>N</i>^5^:<i>N</i>^6^]","","- C18 H14 Cd Cl2 N4 O4 -","- C18 H14 Cd Cl2 N4 O4 -","- C36 H28 Cd2 Cl4 N8 O8 -","2","0.5","","Alfonso, Montserrat; Stoeckli-Evans, Helen","Isotypic one-dimensional coordination polymers: <i>catena</i>-poly[[dichloridocadmium]-μ-5,6-bis(pyridin-2-yl)pyrazine-2,3-dicarboxylato-κ^2^<i>N</i>^5^:<i>N</i>^6^] and <i>catena</i>-poly[[dichloridomercury(II)]-μ-5,6-bis(pyridin-2-yl)pyrazine-2,3-dicarboxylato-κ^2^<i>N</i>^5^:<i>N</i>^6^]","Acta Crystallographica Section E","2016","72","8","1214","1218","10.1107/S2056989016012093","","","0.71073","MoKα","","0.0275","0.0219","","","0.0492","0.0503","","","","","","0.952","","","","has coordinates,has Fobs","184732","2020-10-21","18:00:00",""
"2241791","8.1042","0.0006","10.6002","0.0016","12.2063","0.001","90","","103.158","0.007","90","","1021.07","0.19","293","2","293","2","","","","","","","","6","P 1 2/n 1","-P 2yac","13","","<i>catena</i>-Poly[[dichloridomercury(II)]-μ-5,6-bis(pyridin-2-yl)pyrazine-2,3-dicarboxylato-κ^2^<i>N</i>^5^:<i>N</i>^6^]","","- C18 H14 Cl2 Hg N4 O4 -","- C18 H14 Cl2 Hg N4 O4 -","- C36 H28 Cl4 Hg2 N8 O8 -","2","0.5","","Alfonso, Montserrat; Stoeckli-Evans, Helen","Isotypic one-dimensional coordination polymers: <i>catena</i>-poly[[dichloridocadmium]-μ-5,6-bis(pyridin-2-yl)pyrazine-2,3-dicarboxylato-κ^2^<i>N</i>^5^:<i>N</i>^6^] and <i>catena</i>-poly[[dichloridomercury(II)]-μ-5,6-bis(pyridin-2-yl)pyrazine-2,3-dicarboxylato-κ^2^<i>N</i>^5^:<i>N</i>^6^]","Acta Crystallographica Section E","2016","72","8","1214","1218","10.1107/S2056989016012093","","","0.71073","MoKα","","0.0375","0.0317","","","0.0713","0.0743","","","","","","1.111","","","","has coordinates,has Fobs","184732","2020-10-21","18:00:00",""
"2241792","10.998","0.002","9.276","0.0017","25.661","0.005","90","","90","","90","","2617.9","0.8","100","2","100","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","5-[(4-Carboxybenzyl)oxy]isophthalic acid","5-[(4-Carboxybenzyl)oxy]benzene-1,3-dicarboxylic acid","","- C16 H12 O7 -","- C16 H12 O7 -","- C128 H96 O56 -","8","1","SU5300","Faizi, Md. Serajul Haque; Ahmad, Musheer; Ali, Akram; Potaskalov, Vadim A.","Crystal structure of 5-[(4-carboxybenzyl)oxy]isophthalic acid","Acta Crystallographica Section E","2016","72","8","1219","1222","10.1107/S2056989016011762","","","0.71073","MoKα","","0.0495","0.0398","","","0.0939","0.1017","","","","","","1.069","","","","has coordinates,has Fobs","184733","2020-10-21","18:00:00",""
"2241793","13.2423","0.0002","5.1239","0.0001","16.1839","0.0003","90","","94.838","0.002","90","","1094.2","0.03","100","2","100","2","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","1,1-Dimethylhydrazin-1-ium bromide","","- C2 H9 Br N2 -","- C2 H9 Br N2 -","- C16 H72 Br8 N16 -","8","1","SU5314","Katinaitė, Judita; Harrison, William T. A.","Different cation-protonation patterns in molecular salts of unsymmetrical dimethyhydrazine: C~2~H~9~N~2~·Br and C~2~H~9~N~2~·H~2~PO~3~","Acta Crystallographica Section E","2016","72","8","1206","1210","10.1107/S2056989016011993","","","0.71073","MoKα","","0.0202","0.0197","","","0.0506","0.0509","","","","","","1.122","","","","has coordinates,has Fobs","184734","2020-10-21","18:00:00",""
"2241794","8.069","0.0002","6.997","0.0002","11.7001","0.0006","90","","90","","90","","660.57","0.04","100","2","100","2","","","","","","","","5","P n a 21","P 2c -2n","33","","2,2-Dimethylhydrazin-1-ium dihydrogen phosphite","","- C2 H11 N2 O3 P -","- C2 H11 N2 O3 P -","- C8 H44 N8 O12 P4 -","4","1","SU5314","Katinaitė, Judita; Harrison, William T. A.","Different cation-protonation patterns in molecular salts of unsymmetrical dimethyhydrazine: C~2~H~9~N~2~·Br and C~2~H~9~N~2~·H~2~PO~3~","Acta Crystallographica Section E","2016","72","8","1206","1210","10.1107/S2056989016011993","","","0.71073","MoKα","","0.0258","0.0249","","","0.0641","0.0645","","","","","","1.087","","","","has coordinates,has Fobs","184734","2020-10-21","18:00:00",""
"2241795","12.2872","0.0009","10.7186","0.0008","10.583","0.0008","90","","108.462","0.001","90","","1322.06","0.17","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","4-Bromo-2-((1<i>E</i>)-{[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]iminiumyl}methyl)-6-methoxybenzen-1-olate","","- C12 H16 Br N O5 -","- C12 H16 Br N O5 -","- C48 H64 Br4 N4 O20 -","4","1","HB7605","Lee, See Mun; Lo, Kong Mun; Tan, Sang Loon; Tiekink, Edward R. T.","Zwitterionic 4-bromo-6-methoxy-2-{[tris(hydroxymethyl)methyl]iminiumylmethyl}phenolate: crystal structure and Hirshfeld surface analysis","Acta Crystallographica Section E","2016","72","8","1223","1227","10.1107/S2056989016012159","","","0.71073","MoKα","","0.0383","0.0295","","","0.0643","0.0683","","","","","","1.04","","","","has coordinates,has Fobs","184735","2020-10-21","18:00:00",""
"2241796","4.0876","0.0005","4.0876","0.0005","8.1351","0.0019","90","","90","","90","","135.93","0.04","293","2","293","2","","","","","","","","2","I 4/m m m","-I 4 2","139","","Niobium(IV) tetrafluoride","","- F4 Nb -","- F4 Nb -","- F8 Nb2 -","2","0.0625","WM5309","Bandemehr, Jascha; Conrad, Matthias; Kraus, Florian","Redetermination of the crystal structure of NbF~4~","Acta Crystallographica Section E","2016","72","8","1211","1213","10.1107/S2056989016012081","","","0.71073","MoKα","","0.0139","0.0139","","","0.0322","0.0322","","","","","","0.982","","","","has coordinates,has Fobs","184736","2020-10-21","18:00:00",""
"2241797","5.7654","0.0004","10.3155","0.0006","19.4879","0.0012","90","","90","","90","","1159","0.13","298","2","298","2","","","","","","","","2","F d d d","-F 2uv 2vw","70","","Titanium dibismuth","","- Bi2 Ti -","- Bi2 Ti -","- Bi32 Ti16 -","16","","BR2262","Watanabe, Kei; Yamane, Hisanori","Crystal structure of TiBi~2~","Acta Crystallographica Section E","2016","72","9","1254","1256","10.1107/S2056989016012391","","","0.71073","MoKα","","0.0257","0.0242","","","0.0603","0.0622","","","","","","1.313","","","","has coordinates,has Fobs","184857","2020-10-21","18:00:00",""
"2241798","8.568","0.0004","10.0475","0.0004","11.6778","0.0005","90","","103.272","0.004","90","","978.46","0.07","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1-Amino-2-oxo-2,5,6,7,8,9-hexahydro-1<i>H</i>-cyclohepta[<i>b</i>]pyridine-3-carbonitrile","","- C11 H13 N3 O -","- C11 H13 N3 O -","- C44 H52 N12 O4 -","4","1","SU5315","Elgemeie, Galal H.; Jones, Peter G.","Crystal structure of 1-amino-2-oxo-2,5,6,7,8,9-hexahydro-1<i>H</i>-cyclohepta[<i>b</i>]pyridine-3-carbonitrile","Acta Crystallographica Section E","2016","72","9","1239","1241","10.1107/S2056989016012196","","","1.54184","CuKα","","0.0519","0.0394","","","0.0992","0.1088","","","","","","1.056","","","","has coordinates,has Fobs","184858","2020-10-21","18:00:00",""
"2241799","12.0236","0.0004","9.7045","0.0004","13.2607","0.0004","90","","96.26","0.002","90","","1538.07","0.09","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Methyl (<i>E</i>)-4-[2-(8-hydroxyquinolin-2-yl)vinyl]benzoate","","- C19 H15 N O3 -","- C19 H15 N O3 -","- C76 H60 N4 O12 -","4","1","SU5312","Xu, Yu-Xing; Hu, Wei-Ji; Zhao, Guo-Liang","Crystal structure of methyl (<i>E</i>)-4-[2-(8-hydroxyquinolin-2-yl)vinyl]benzoate","Acta Crystallographica Section E","2016","72","9","1251","1253","10.1107/S205698901601210X","","","0.71073","MoKα","","0.089","0.0455","","","0.113","0.1366","","","","","","1.018","","","","has coordinates,has Fobs","184859","2020-10-21","18:00:00",""
"2241800","8.5619","0.0003","15.2699","0.0005","8.119","0.0003","90","","117.788","0.002","90","","939.06","0.06","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Calcium dizinc iron(III) tris(orthophosphate)","","- Ca Fe O12 P3 Zn2 -","- Ca Fe O12 P3 Zn2 -","- Ca4 Fe4 O48 P12 Zn8 -","4","1","PJ2033","Khmiyas, Jamal; Assani, Abderrazzak; Saadi, Mohamed; El Ammari, Lahcen","Synthesis and crystal structure of calcium dizinc iron(III) tris(orthophosphate), CaZn~2~Fe(PO~4~)~3~","Acta Crystallographica Section E","2016","72","9","1260","1262","10.1107/S2056989016012421","","","0.71073","MoKα","","0.0211","0.017","","","0.0401","0.0412","","","","","","1.042","","","","has coordinates,has Fobs","184862","2020-10-21","18:00:00",""
"2241801","10.1194","0.0004","10.8066","0.0004","14.9948","0.0006","110.57","0.02","97.1","0.02","106.17","0.02","1429.1","0.4","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","Methyl 3'-benzamido-4'-(4-methoxyphenyl)-1'-methylspiro[indeno[1,2-<i>b</i>]quinoxaline-11,2'-pyrrolidine]-3'-carboxylate","","- C35 H30 N4 O3 -","- C35 H30 N4 O3 -","- C70 H60 N8 O6 -","2","1","IS5458","Chandralekha, Kuppan; Sureshbabu, Adukamparai Rajukrishnan; Gavaskar, Deivasigamani; Lakshmi, Srinivasakannan","Crystal structure of methyl 3'-benzamido-4'-(4-methoxyphenyl)-1'-methylspiro[indeno[1,2-<i>b</i>]quinoxaline-11,2'-pyrrolidine]-3'-carboxylate","Acta Crystallographica Section E","2016","72","9","1257","1259","10.1107/S2056989016012469","","","0.71073","MoKα","","0.0999","0.0462","","","0.1047","0.1399","","","","","","1.025","","","","has coordinates,has Fobs","184863","2020-10-21","18:00:00",""
"2241802","8.7315","0.0004","27.4581","0.0013","13.7943","0.0006","90","","94.061","0.004","90","","3298.9","0.3","100.01","0.1","100.01","0.1","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","Hexaaquanickel(II) bis{5-bromo-7-[(2-hydroxyethyl)amino]-1-methyl-6-oxidoquinoline-1-ium-3-sulfonate} monohydrate","","- C24 H38 Br2 N4 Ni O17 S2 -","- C24 H38 Br2 N4 Ni O17 S2 -","- C96 H152 Br8 N16 Ni4 O68 S8 -","4","0.5","IS5459","Le Thi Hong, Hai; Nguyen Thi Ngoc, Vinh; Do Thi Van, Anh; Van Meervelt, Luc","Crystal structure of hexaaquanickel(II) bis{5-bromo-7-[(2-hydroxyethyl)amino]-1-methyl-6-oxidoquinolin-1-ium-3-sulfonate} monohydrate","Acta Crystallographica Section E","2016","72","9","1242","1245","10.1107/S2056989016012408","","","0.71073","MoKα","","0.028","0.0235","","","0.0537","0.0556","","","","","","1.077","","","","has coordinates,has Fobs","184864","2020-10-21","18:00:00",""
"2241803","18.1861","0.0002","7.1187","0.0001","35.707","0.0004","90","","100.448","0.001","90","","4546.03","0.1","123","2","123","2","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","[Tris(4,4-bipyridine)]diium bis(1,1,3,3-tetracyano-2-ethoxypropenide) trihydrate","","- C48 H42 N14 O5 -","- C48 H36 N14 O5 -","- C192 H144 N56 O20 -","4","0.5","HB7603","Setifi, Fatima; Valkonen, Arto; Setifi, Zouaoui; Nummelin, Sami; Touzani, Rachid; Glidewell, Christopher","Crystal structure of [tris(4,4'-bipyridine)]diium bis(1,1,3,3-tetracyano-2-ethoxypropenide) trihydrate","Acta Crystallographica Section E","2016","72","9","1246","1250","10.1107/S2056989016012160","","","0.71073","MoKα","","0.0572","0.049","","","0.1106","0.1148","","","","","","1.085","","","","has coordinates,has Fobs","184865","2020-10-21","18:00:00",""
"2241804","16.47","0.0018","12.2257","0.0012","17.0862","0.0019","90","","114.932","0.002","90","","3119.8","0.6","98","2","98","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Bis[μ~2~-<i>N</i>-(2-hydroxyethyl)-<i>N</i>-isopropylcarbamodithioato-κ^3^<i>S</i>:<i>S</i>,<i>S</i>']bis{[<i>N</i>-(2-hydroxyethyl)-<i>N</i>-isopropylcarbamodithioato-κ^2^<i>S</i>,<i>S</i>'](3-{(1<i>E</i>)-[(<i>E</i>)-2-(pyridin-3-ylmethylidene)hydrazin-1-ylidene]methyl}pyridine-κ<i>N</i>)cadmium]} dihydrate","","- C48 H72 Cd2 N12 O6 S8 -","- C48 H72 Cd2 N12 O6 S8 -","- C96 H144 Cd4 N24 O12 S16 -","2","0.5","WM5312","Arman, Hadi D.; Poplaukhin, Pavel; Tiekink, Edward R. T.","An unprecedented binuclear cadmium dithiocarbamate adduct: bis[μ~2~-<i>N</i>-(2-hydroxyethyl)-<i>N</i>-isopropylcarbamodithioato-κ^3^<i>S</i>:<i>S</i>,<i>S</i>']bis{[<i>N</i>-(2-hydroxyethyl)-<i>N</i>-isopropylcarbamodithioato-κ^2^<i>S</i>,<i>S</i>'](3-{(1<i>E</i>)-[(<i>E</i>)-2-(pyridin-3-ylmethylidene)hydrazin-1-ylidene]methyl}pyridine-κ<i>N</i>)cadmium]} dihydrate","Acta Crystallographica Section E","2016","72","9","1234","1238","10.1107/S2056989016012214","","","0.71073","MoKα","","0.0304","0.0286","","","0.0635","0.065","","","","","","1.084","","","","has coordinates,has Fobs","184866","2020-10-21","18:00:00",""
"2241805","24.001","0.001","6.2369","0.0003","9.3266","0.0004","90","","99.621","0.002","90","","1376.48","0.11","295","2","295","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","2-(4-Chlorophenyl)-<i>N</i>-(2-iodophenyl)acetamide","","- C14 H11 Cl I N O -","- C14 H11 Cl I N O -","- C56 H44 Cl4 I4 N4 O4 -","4","1","SU5316","Narayana, Badiadka; Yathirajan, Hemmige S.; Rathore, Ravindranath; Glidewell, Christopher","Crystal structures of two C,N-disubstituted acetamides: 2-(4-chlorophenyl)-<i>N</i>-(2-iodophenyl)acetamide and 2-(4-chlorophenyl)-<i>N</i>-(pyrazin-2-yl)acetamide","Acta Crystallographica Section E","2016","72","9","1270","1275","10.1107/S2056989016012512","","","0.71073","MoKα","","0.0491","0.0365","","","0.0704","0.0743","","","","","","1.071","","","","has coordinates,has Fobs","185710","2020-10-21","18:00:00",""
"2241806","10.7041","0.0004","7.5724","0.0003","28.6619","0.0011","90","","90","","90","","2323.21","0.15","295","2","295","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","2-(4-Chlorophenyl)-<i>N</i>-(pyrazin-2-yl)acetamide","","- C12 H10 Cl N3 O -","- C12 H10 Cl N3 O -","- C96 H80 Cl8 N24 O8 -","8","1","SU5316","Narayana, Badiadka; Yathirajan, Hemmige S.; Rathore, Ravindranath; Glidewell, Christopher","Crystal structures of two C,N-disubstituted acetamides: 2-(4-chlorophenyl)-<i>N</i>-(2-iodophenyl)acetamide and 2-(4-chlorophenyl)-<i>N</i>-(pyrazin-2-yl)acetamide","Acta Crystallographica Section E","2016","72","9","1270","1275","10.1107/S2056989016012512","","","0.71073","MoKα","","0.0745","0.0471","","","0.1185","0.1363","","","","","","1.022","","","","has coordinates,has Fobs","185710","2020-10-21","18:00:00",""
"2241807","19.2539","0.0016","13.1442","0.0008","20.7913","0.0016","90","","97.327","0.01","90","","5218.8","0.7","200","2","200","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","Aquatris(isonicotinamide-κ<i>N</i>)bis(thiocyanato-κ<i>N</i>)cobalt(II) 2.5-hydrate","","- C20 H25 Co N8 O6.5 S2 -","- C20 H25 Co N8 O6.5 S2 -","- C160 H200 Co8 N64 O52 S16 -","8","1","","Neumann, Tristan; Jess, Inke; Näther, Christian","Crystal structure of aquatris(isonicotinamide-κ<i>N</i>)bis(thiocyanato-κ<i>N</i>)cobalt(II) 2.5-hydrate","Acta Crystallographica Section E","2016","72","9","1263","1266","10.1107/S2056989016012470","","","0.71073","MoKα","","0.0529","0.0397","","","0.087","0.0936","","","","","","1.012","","","","has coordinates,has Fobs","185711","2020-10-21","18:00:00",""
"2241808","6.2059","0.0004","7.0635","0.0004","7.7516","0.0005","93.166","0.004","96.548","0.004","105.883","0.004","323.36","0.04","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","Calcium vanadium (V) oxide dihydrate","","- Ca H4 O8 V2 -","- Ca H4 O8 V2 -","- Ca2 H8 O16 V4 -","2","1","WM5311","Kobsch, Anaïs; Downs, Robert T.; Domanik, Kenneth J.","Redetermination of metarossite, CaV^5+^~2~O~6~·2H~2~O","Acta Crystallographica Section E","2016","72","9","1280","1284","10.1107/S2056989016012433","","","0.71073","MoKα","","0.0649","0.0361","","","0.0668","0.076","","","","","","1.013","","","","has coordinates,has Fobs","185712","2020-10-21","18:00:00",""
"2241809","6.955","0.0006","21.7483","0.0019","12.4482","0.0011","90","","94.509","0.001","90","","1877.1","0.3","273","2","273","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","Tricarbonylchlorido{1-[(pyridin-2-ylmethylidene)amino]adamantane}rhenium(I)","Tricarbonylchlorido{1-[(pyridin-2-ylmethylidene)amino]tricyclo[3.3.1.1^3,7^]\ decane}rhenium(I)","","- C19 H20 Cl N2 O3 Re -","- C19 H20 Cl N2 O3 Re -","- C76 H80 Cl4 N8 O12 Re4 -","4","1","WM5310","Jimenez, Jorge; Chakraborty, Indranil; Mascharak, Pradip","Synthesis and crystal structure of tricarbonylchlorido{1-[(pyridin-2-ylmethylidene)amino]adamantane}rhenium(I)","Acta Crystallographica Section E","2016","72","9","1276","1279","10.1107/S205698901601255X","","","0.71073","MoKα","","0.031","0.0232","","","0.0476","0.0501","","","","","","1.052","","","","has coordinates,has Fobs","185713","2020-10-21","18:00:00",""
"2241810","18.508","0.005","4.994","0.005","29.594","0.005","90","","90","","90","","2735","3","173","2","173","2","","","","","","","","4","P n a 21","P 2c -2n","33","","4-[4-(Ethoxycarbonyl)piperazin-1-yl]benzoic acid","","- C14 H18 N2 O4 -","- C14 H18 N2 O4 -","- C112 H144 N16 O32 -","8","2","LH5818","Faizi, Md. Serajul Haque; Ahmad, Musheer; Golenya, Irina A.","Crystal structure of 4-[4-(ethoxycarbonyl)piperazin-1-yl]benzoic acid","Acta Crystallographica Section E","2016","72","9","1267","1269","10.1107/S2056989016012482","","","0.71073","MoKα","","0.0982","0.0768","","","0.1815","0.2016","","","","","","1.077","","","","has coordinates,has Fobs","185714","2020-10-21","18:00:00",""
"2241811","9.0254","0.0009","11.4601","0.0012","12.3621","0.0014","90","","90","","90","","1278.6","0.2","100","","100","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","Dimethylformamidium bis(trifluoromethanesulfonyl)amide","","- C5 H8 F6 N2 O5 S2 -","- C5 H8 F6 N2 O5 S2 -","- C20 H32 F24 N8 O20 S8 -","4","1","HB7586","Cardenas, Allan Jay P.; O'Hagan, Molly","Crystal structure of dimethylformamidium bis(trifluoromethanesulfonyl)amide: an ionic liquid","Acta Crystallographica Section E","2016","72","9","1290","1292","10.1107/S2056989016012251","","","0.71073","MoKα","","0.028","0.0254","","","0.0645","0.0658","","","","","","1.059","","","","has coordinates,has Fobs","185785","2020-10-21","18:00:00",""
"2241812","9.6655","0.0004","6.2286","0.0003","29.1778","0.0013","90","","90","","90","","1756.58","0.14","173","2","173.15","","","","","","","","","4","P n a 21","P 2c -2n","33","1-naphthalene boronic acid","(Naphthalen-1-yl)boronic acid","","- C10 H9 B O2 -","- C10 H9 B O2 -","- C80 H72 B8 O16 -","8","2","HB7602","Bemisderfer, Kayleigh; Nazarenko, Alexander Y.","Two forms of (naphthalen-1-yl)boronic acid","Acta Crystallographica Section E","2016","72","9","1285","1289","10.1107/S2056989016012494","","","1.54178","CuKα","","0.0386","0.0346","","","0.0912","0.0944","","","","","","1.024","","","","has coordinates,has Fobs","185786","2020-10-21","18:00:00",""
"2241813","14.8469","0.0011","6.1023","0.0004","9.6797","0.0007","90","","93.978","0.003","90","","874.87","0.11","173","2","173.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(Naphthalen-1-yl)boronic acid","","- C10 H9 B O2 -","- C10 H9 B O2 -","- C40 H36 B4 O8 -","4","1","","Bemisderfer, Kayleigh; Nazarenko, Alexander Y.","Two forms of (naphthalen-1-yl)boronic acid","Acta Crystallographica Section E","2016","72","9","1285","1289","10.1107/S2056989016012494","","","1.54178","CuKα","","0.0426","0.0345","","","0.0862","0.0914","","","","","","1.037","","","","has coordinates,has Fobs","185786","2020-10-21","18:00:00",""
"2241814","6.524","0.0013","17.35","0.004","12.901","0.003","90","","97.18","0.03","90","","1448.8","0.6","253","2","253","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Bis[<i>trans</i>-dichloridobis(propane-1,3-diamine-κ^2^<i>N</i>,<i>N</i>')chromium(III)]dichromate","","- C12 H40 Cl4 Cr4 N8 O7 -","- C12 H40 Cl4 Cr4 N8 O7 -","- C24 H80 Cl8 Cr8 N16 O14 -","2","0.5","WM5308","Moon, Dohyun; Ryoo, Keon Sang; Choi, Jong-Ha","Crystal structure of bis[<i>trans</i>-dichloridobis(propane-1,3-diamine-κ^2^<i>N</i>,<i>N</i>')chromium(III)] dichromate from synchrotron data","Acta Crystallographica Section E","2016","72","9","1293","1296","10.1107/S2056989016012755","","","0.61","synchrotron","","0.0422","0.0372","","","0.1019","0.1047","","","","","","1.095","","","","has coordinates,has disorder,has Fobs","185787","2020-10-21","18:00:00",""
"2241815","16.6854","0.0012","7.0799","0.0006","13.4537","0.001","90","","96.236","0.009","90","","1579.9","0.2","223","2","223","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Poly[diaqua[μ~3~-5,6-bis(pyridin-2-yl)pyrazine-2,3-dicarboxylato-κ^5^<i>O</i>^2^:<i>O</i>^3^:<i>O</i>^3^,<i>N</i>^4^,<i>N</i>^5^]cadmium]","","- C16 H12 Cd N4 O6 -","- C16 H12 Cd N4 O6 -","- C64 H48 Cd4 N16 O24 -","4","1","","Alfonso, Monserrat; Stoeckli-Evans, Helen","A two-dimensional Cd^II^ coordination polymer: poly[diaqua[μ~3~-5,6-bis(pyridin-2-yl)pyrazine-2,3-dicarboxylato-κ^5^<i>O</i>^2^:<i>O</i>^3^:<i>O</i>^3^,<i>N</i>^4^,<i>N</i>^5^]cadmium]","Acta Crystallographica Section E","2016","72","9","1297","1300","10.1107/S2056989016012858","","","0.71073","MoKα","","0.0884","0.038","","","0.0558","0.0625","","","","","","0.747","","","","has coordinates,has Fobs","185836","2020-10-21","18:00:00",""
"2241816","11.916","0.0003","10.2528","0.0002","14.9434","0.0004","90","","107.202","0.003","90","","1744","0.08","100.2","0.3","100.2","0.3","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","<i>mer</i>-Trichloridotris(tetrahydrothiophene-κ<i>S</i>)iridium(III)","","- C12 H24 Cl3 Ir S3 -","- C12 H24 Cl3 Ir S3 -","- C48 H96 Cl12 Ir4 S12 -","4","1","PK2588","Brown, Loren C.; DuChane, Christine M.; Merola, Joseph S.","<i>mer</i>-Trichloridotris(tetrahydrothiophene-κ<i>S</i>)iridium(III): preparation and comparison with other <i>mer</i>-trichloridotris(tetrahydrothiophene-κ<i>S</i>)metal complexes","Acta Crystallographica Section E","2016","72","9","1305","1309","10.1107/S2056989016012883","","","0.71073","MoKα","","0.035","0.0286","","","0.0602","0.0631","","","","","","1.052","","","","has coordinates,has Fobs","185837","2020-10-21","18:00:00",""
"2241817","12.526","0.002","7.2647","0.0013","14.712","0.003","90","","107.86","0.002","90","","1274.2","0.4","125","2","125","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","Bis(η^2^-ethylene)(η^5^-pentamethylcyclopentadienyl)cobalt","","- C14 H23 Co -","- C14 H23 Co -","- C56 H92 Co4 -","4","1","IS5456","Ramful, Chandika D.; Robertson, Katherine N.; Ylijoki, Kai E. O.","Crystal structure of bis(η^2^-ethylene)(η^5^-pentamethylcyclopentadienyl)cobalt","Acta Crystallographica Section E","2016","72","9","1301","1304","10.1107/S2056989016012822","","","0.71073","MoKα","","0.0481","0.0394","","","0.1003","0.1055","","","","","","1.055","","","","has coordinates,has Fobs","185838","2020-10-21","18:00:00",""
"2241818","6.2404","0.0003","11.1725","0.0006","12.9987","0.0007","109.284","0.002","100.233","0.004","93.925","0.002","833.9","0.08","296","2","296","2","","","","","","","","3","P -1","-P 1","2","2-(4-Methylphenyl)-17-thiatetracyclo[8.7.0.0^3,8^.0^11,16^]heptadeca-1(10),2,4,6,8,11(16),12,14-octaene","6-(<i>p</i>-Tolyl)benzo[<i>b</i>]naphtho[2,3-<i>d</i>]thiophene","","- C23 H16 S -","- C23 H16 S -","- C46 H32 S2 -","2","1","LH5819","Gopinath, S.; Sethusankar, K.; Stoeckli-Evans, Helen; Rafiq, Muhamad; Mohanakrishnan, Arasambattu K.","Crystal structure of 6-(<i>p</i>-tolyl)benzo[<i>b</i>]naphtho[2,3-<i>d</i>]thiophene and of an orthorhombic polymorph of 7-phenylanthra[2,3-<i>b</i>]benzo[<i>d</i>]thiophene","Acta Crystallographica Section E","2016","72","9","1310","1314","10.1107/S2056989016012937","","","0.71073","MoKα","","0.0541","0.0388","","","0.0965","0.1131","","","","","","1.071","","","","has coordinates,has Fobs","185839","2020-10-21","18:00:00",""
"2241819","12.2159","0.0008","33.1138","0.0004","8.8993","0.0005","90","","90","","90","","3599.9","0.3","296","2","296","2","","","","","","","","3","P c c n","-P 2ab 2ac","56","14-Phenyl-10-thiapentacyclo[11.8.0.0^3,11^.0^4,9^.0^15,20^]\ henicosa-1,3(11),4(9),57,12,14,16,18,20-decaene","7-Phenylanthra[2,3-<i>b</i>]benzo[<i>d</i>]thiophene","","- C26 H16 S -","- C26 H16 S -","- C208 H128 S8 -","8","1","LH5819","Gopinath, S.; Sethusankar, K.; Stoeckli-Evans, Helen; Rafiq, Muhamad; Mohanakrishnan, Arasambattu K.","Crystal structure of 6-(<i>p</i>-tolyl)benzo[<i>b</i>]naphtho[2,3-<i>d</i>]thiophene and of an orthorhombic polymorph of 7-phenylanthra[2,3-<i>b</i>]benzo[<i>d</i>]thiophene","Acta Crystallographica Section E","2016","72","9","1310","1314","10.1107/S2056989016012937","","","0.71073","MoKα","","0.0755","0.0589","","","0.164","0.182","","","","","","1.044","","","","has coordinates,has Fobs","185839","2020-10-21","18:00:00",""
"2241820","5.4534","0.0011","17.203","0.003","20.06","0.004","90","","90","","90","","1881.9","0.6","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","Ethyl {2-[4-(4-isopropylphenyl)thiazol-2-yl]phenyl}carbamate","","- C21 H22 N2 O2 S -","- C21 H22 N2 O2 S -","- C84 H88 N8 O8 S4 -","4","1","HB7607","Sukhonosova, Elena V.; Sokov, Sergey A.; Ostapenko, Gennady I.; Bunev, Alexander S.; Dorovatovskii, Pavel V.; Zubavichus, Yan V.; Khrustalev, Victor N.","Crystal structures of ethyl {2-[4-(4-isopropylphenyl)thiazol-2-yl]phenyl}carbamate and ethyl {2-[4-(3-nitrophenyl)thiazol-2-yl]phenyl}carbamate","Acta Crystallographica Section E","2016","72","9","1321","1325","10.1107/S2056989016013104","","","0.9699","synchrotron","","0.0734","0.0524","","","0.1088","0.1225","","","","","","0.964","","","","has coordinates,has Fobs","185906","2020-10-21","18:00:00",""
"2241821","23.84","0.005","9.7401","0.0019","7.1403","0.0014","90","","90","","90","","1658","0.6","100","2","100","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","Ethyl {2-[4-(3-nitrophenyl)thiazol-2-yl]phenyl}carbamate","","- C18 H15 N3 O4 S -","- C18 H15 N3 O4 S -","- C72 H60 N12 O16 S4 -","4","1","HB7607","Sukhonosova, Elena V.; Sokov, Sergey A.; Ostapenko, Gennady I.; Bunev, Alexander S.; Dorovatovskii, Pavel V.; Zubavichus, Yan V.; Khrustalev, Victor N.","Crystal structures of ethyl {2-[4-(4-isopropylphenyl)thiazol-2-yl]phenyl}carbamate and ethyl {2-[4-(3-nitrophenyl)thiazol-2-yl]phenyl}carbamate","Acta Crystallographica Section E","2016","72","9","1321","1325","10.1107/S2056989016013104","","","0.9699","synchrotron","","0.0446","0.0372","","","0.0855","0.0901","","","","","","1.05","","","","has coordinates,has Fobs","185906","2020-10-21","18:00:00",""
"2241822","8.2868","0.0017","8.657","0.0017","6.5263","0.0013","90","","92.87","0.03","90","","467.6","0.16","300","2","300","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Barium manganese(II) pyroborate","","- B2 Ba Mn O5 -","- B2 Ba Mn O5 -","- B8 Ba4 Mn4 O20 -","4","1","WM5306","Maschmeyer, Elizabeth M.; Sanjeewa, Liurukara D.; Ranmohotti, Kulugammana G. S.","Crystal structure of BaMnB~2~O~5~ containing structurally isolated manganese oxide sheets","Acta Crystallographica Section E","2016","72","9","1315","1320","10.1107/S2056989016013074","","","0.71073","MoKα","","0.0289","0.0248","","","0.0552","0.0564","","","","","","1.098","","","","has coordinates,has Fobs","185907","2020-10-21","18:00:00",""
"2241823","10.7527","0.0006","11.6731","0.0006","12.4456","0.0007","98.236","0.002","112.374","0.001","108.944","0.002","1301.16","0.13","150","2","150","2","","","","","","","","4","P -1","-P 1","2","Dihydropyrimidine","Methyl 4-(4-hydroxyphenyl)-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate monohydrate","","- C13 H16 N2 O5 -","- C13 H16 N2 O5 -","- C52 H64 N8 O20 -","4","2","HB7604","Bairagi, Keshab M.; Venugopala, Katharigatta N.; Mondal, Pradip Kumar; Odhav, Bharti; Nayak, Susanta K.","Crystal structure of methyl 4-(4-hydroxyphenyl)-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate monohydrate","Acta Crystallographica Section E","2016","72","9","1335","1338","10.1107/S2056989016013359","","","0.71073","MoKα","","0.0455","0.0375","","","0.0953","0.0988","","","","","","1.042","","","","has coordinates,has Fobs","186040","2020-10-21","18:00:00",""
"2241824","6.4941","0.0011","13.491","0.002","15.086","0.003","102.911","0.003","91.824","0.003","101.5","0.003","1258.4","0.4","100","1","100","1","","","","","","","","5","P -1","-P 1","2","","Bis[(adamantan-1-yl)methanaminium chloride] 1,4-dioxane hemisolvate monohydrate","","- C12 H23 Cl N O -","- C12 H23 Cl N O -","- C48 H92 Cl4 N4 O4 -","4","2","HB7608","Mohamed, Sharmarke","Solvent inclusion in the crystal structure of bis[(adamantan-1-yl)methanaminium chloride] 1,4-dioxane hemisolvate monohydrate explained using the computed crystal energy landscape","Acta Crystallographica Section E","2016","72","9","1348","1352","10.1107/S2056989016013256","","","0.71073","MoKα","","0.0999","0.0562","","","0.0937","0.1047","","","","","","1.059","","","","has coordinates,has Fobs","219800","2020-10-21","18:00:00",""
"2241825","6.3726","0.0005","14.2549","0.0011","18.2817","0.0012","90","","90","","90","","1660.7","0.2","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","((<i>E</i>)-{2-[(<i>E</i>)-(4-Hydroxynaphthalen-1-yl)methylidene]hydrazin-1-yl}(methylsulfanyl)methylidene)azanium hydrogen sulfate monohydrate","","- C13 H17 N3 O6 S2 -","- C13 H17 N3 O6 S2 -","- C52 H68 N12 O24 S8 -","4","1","","Nehar, Oussama; Louhibi, Samira; Boukli-Hacene, Leila; Roisnel, Thierry","Synthesis and crystal structure of ((<i>E</i>)-{2-[(<i>E</i>)-(4-hydroxynaphthalen-1-yl)methylidene]hydrazin-1-yl}(methylsulfanyl)methylidene)azanium hydrogen sulfate monohydrate","Acta Crystallographica Section E","2016","72","9","1326","1329","10.1107/S2056989016013232","","","0.71073","MoKα","","0.0413","0.0386","","","0.1004","0.1025","","","","","","1.07","","","","has coordinates,has Fobs","186042","2020-10-21","18:00:00",""
"2241826","11.2517","0.0005","16.424","0.001","31.1181","0.0018","90","","90","","90","","5750.6","0.5","147","2","147","2","","","","","","","","9","P 21 21 21","P 2ac 2ab","19","","(+)-<i>trans</i>-Chlorido{2-[(<i>R</i>~p~)-2-(methylsulfanyl)ferrocenyl]-2,5,6,7-tetrahydropyrrolo[1,2-<i>c</i>]imidazol-3-ylidene}bis(triphenylphosphane-κ<i>P</i>)palladium(II) hexafluoridophosphate dichloroform disolvate","","- C55 H50 Cl7 F6 Fe N2 P3 Pd S -","- C55 H50 Cl7 F6 Fe N2 P3 Pd S -","- C220 H200 Cl28 F24 Fe4 N8 P12 Pd4 S4 -","4","1","HB7606","Wilson-Konderka, Cody; Lough, Alan J.; Metallinos, Costa","(+)-<i>trans</i>-Chlorido{2-[(<i>R</i>~p~)-2-(methylsulfanyl)ferrocenyl]-2,5,6,7-tetrahydropyrrolo[1,2-<i>c</i>]imidazol-3-ylidene}bis(triphenylphosphane-κ<i>P</i>)palladium(II) hexafluoridophosphate dichloroform disolvate","Acta Crystallographica Section E","2016","72","9","1330","1334","10.1107/S2056989016013190","","","0.71073","MoKα","","0.0697","0.0444","","","0.067","0.0745","","","","","","0.98","","","","has coordinates,has disorder,has Fobs","186043","2020-10-21","18:00:00",""
"2241827","9.2713","0.0006","19.0235","0.0011","15.6054","0.0009","90","","105.118","0.002","90","","2657.1","0.3","300","2","300","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","(<i>E</i>)-4-Hydroxy-<i>N</i>'-(3-methoxybenzylidene)benzohydrazide","(<i>E</i>)-4-Hydroxy-<i>N</i>'-(3-methoxybenzylidene)benzohydrazide","","- C15 H14 N2 O3 -","- C15 H14 N2 O3 -","- C120 H112 N16 O24 -","8","2","PK2585","Chantrapromma, Suchada; Prachumrat, Patcharawadee; Ruanwas, Pumsak; Boonnak, Nawong; Kassim, Mohammad B.","Crystal structure of (<i>E</i>)-4-hydroxy-<i>N</i>'-(3-methoxybenzylidene)benzohydrazide","Acta Crystallographica Section E","2016","72","9","1339","1342","10.1107/S2056989016013268","","","0.71073","MoKα","","0.094","0.0459","","","0.0874","0.1054","","","","","","1.06","","","","has coordinates,has Fobs","186044","2020-10-21","18:00:00",""
"2241828","12.901","0.003","5.516","0.0011","23.143","0.005","90","","105.32","0.03","90","","1588.4","0.6","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","<i>N</i>-[(4-Phenylthiazol-2-yl)carbamothioyl]benzamide","","- C17 H13 N3 O S2 -","- C17 H13 N3 O S2 -","- C68 H52 N12 O4 S8 -","4","1","HB7611","Gantimurova, Ekaterina S.; Bunev, Alexander S.; Talina, Kristina Yu.; Ostapenko, Gennady I.; Dorovatovskii, Pavel V.; Lobanov, Nikolai N.; Khrustalev, Victor N.","Crystal structures of <i>N</i>-[(4-phenylthiazol-2-yl)carbamothioyl]benzamide and <i>N</i>-{[4-(4-bromophenyl)thiazol-2-yl]carbamothioyl}benzamide from synchrotron X-ray diffraction","Acta Crystallographica Section E","2016","72","9","1343","1347","10.1107/S2056989016013396","","","0.9699","synchrotron","","0.0437","0.0355","","","0.0898","0.0953","","","","","","1.029","","","","has coordinates,has Fobs","186045","2020-10-21","18:00:00",""
"2241829","37.21","0.007","4","0.0008","28.45","0.006","90","","128.69","0.03","90","","3305.2","1.8","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","<i>N</i>-{[4-(4-Bromophenyl)thiazol-2-yl]carbamothioyl}benzamide","","- C17 H12 Br N3 O S2 -","- C17 H12 Br N3 O S2 -","- C136 H96 Br8 N24 O8 S16 -","8","1","HB7611","Gantimurova, Ekaterina S.; Bunev, Alexander S.; Talina, Kristina Yu.; Ostapenko, Gennady I.; Dorovatovskii, Pavel V.; Lobanov, Nikolai N.; Khrustalev, Victor N.","Crystal structures of <i>N</i>-[(4-phenylthiazol-2-yl)carbamothioyl]benzamide and <i>N</i>-{[4-(4-bromophenyl)thiazol-2-yl]carbamothioyl}benzamide from synchrotron X-ray diffraction","Acta Crystallographica Section E","2016","72","9","1343","1347","10.1107/S2056989016013396","","","0.9699","synchrotron","","0.0566","0.0402","","","0.0835","0.092","","","","","","1.016","","","","has coordinates,has Fobs","186045","2020-10-21","18:00:00",""
"2241830","9.8193","0.0004","16.0492","0.0007","11.3312","0.0005","90","","96.511","0.002","90","","1774.19","0.13","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","[μ-Ethane-1,2-diylbis(diphenylphosphane)-κ^2^<i>P</i>:<i>P</i>']bis[pentacarbonyltungsten(0)]","","- C36 H24 O10 P2 W2 -","- C36 H24 O10 P2 W2 -","- C72 H48 O20 P4 W4 -","2","0.5","VN2114","Drake, Hannah F.; Wheeler, Kraig A.; Bellott, Brian J.","Crystal structure of (OC)~5~W(μ-dppe)W(CO)~5~","Acta Crystallographica Section E","2016","72","10","1383","1385","10.1107/S2056989016013670","","","1.54178","CuKα","","0.0239","0.0206","","","0.0465","0.0478","","","","","","1.057","","","","has coordinates,has Fobs","186170","2020-10-21","18:00:00",""
"2241831","8.447","0.0017","9.895","0.002","15.254","0.003","90","","97.13","0.03","90","","1265.1","0.4","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Dichlorido{2-methyl-2-[(pyridin-2-ylmethyl)amino]propan-1-ol-κ^3^<i>N</i>,<i>N</i>',<i>O</i>}copper(II)","","- C10 H16 Cl2 Cu N2 O -","- C10 H16 Cl2 Cu N2 O -","- C40 H64 Cl8 Cu4 N8 O4 -","4","1","ZL2674","Shin, Jong Won; Lee, Dong Won; Kim, Dae-Woong; Moon, Dohyun","Crystal structure of dichlorido{2-methyl-2-[(pyridin-2-ylmethyl)amino]propan-1-ol-κ^3^<i>N</i>,<i>N</i>',<i>O</i>}copper(II) from synchrotron data","Acta Crystallographica Section E","2016","72","10","1400","1403","10.1107/S2056989016013773","","","0.61","Synchrotron","","0.0235","0.0224","","","0.0602","0.0606","","","","","","1.056","","","","has coordinates,has Fobs","186171","2020-10-21","18:00:00",""
"2241832","8.3456","0.0001","13.3241","0.0001","12.7011","0.0001","90","","99.284","0.001","90","","1393.83","0.02","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Tricarbonyl(<i>N</i>-methylpyridine-2-carboxamide-κ^2^<i>N</i>^1^,<i>O</i>)(thiocyanato-κ<i>N</i>)rhenium(I)","","- C11 H8 N3 O4 Re S -","- C11 H8 N3 O4 Re S -","- C44 H32 N12 O16 Re4 S4 -","4","1","WM5320","Lyczko, Krzysztof","Crystal structure of a second polymorph of tricarbonyl(<i>N</i>-methylpyridine-2-carboxamide-κ^2^<i>N</i>^1^,<i>O</i>)(thiocyanato-κ<i>N</i>)rhenium(I)","Acta Crystallographica Section E","2016","72","10","1386","1389","10.1107/S205698901601389X","","","0.71073","MoKα","","0.0115","0.0107","","","0.0248","0.0251","","","","","","1.114","","","","has coordinates,has Fobs","186172","2020-10-21","18:00:00",""
"2241833","22.683","0.0011","16.6644","0.0006","16.8388","0.0006","90","","91.026","0.003","90","","6364","0.4","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","μ-4-Oxidobenzoato-κ^2^<i>O</i>^1^:<i>O</i>^4^-bis[bis(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')copper(II)] bis(4-hydroxybenzoate) 7.5-hydrate","","- C69 H61 Cu2 N8 O16.5 -","- C69 H61 Cu2 N8 O16.5 -","- C276 H244 Cu8 N32 O66 -","4","1","HB7601","Su, Jian-Rong; Li, Yu","Crystal structure of μ-4-oxidobenzoato-κ^2^<i>O</i>^1^:<i>O</i>^4^-bis[bis(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')copper(II)] bis(4-hydroxybenzoate) 7.5-hydrate","Acta Crystallographica Section E","2016","72","10","1396","1399","10.1107/S2056989016013943","","","0.71073","MoKα","","0.1068","0.0671","","","0.167","0.2013","","","","","","1.031","","","","has coordinates,has Fobs","199607","2020-10-21","18:00:00",""
"2241834","7.4916","0.0003","8.5915","0.0003","15.0343","0.0006","86.363","0.003","75.894","0.002","74.39","0.002","903.87","0.06","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","<i>trans</i>-Diaquabis(4-cyanobenzoato-κ<i>O</i>)bis(<i>N</i>,<i>N</i>-diethylnicotinamide-κ<i>N</i>)zinc(II)","","- C36 H40 N6 O8 Zn -","- C36 H40 N6 O8 Zn -","- C36 H40 N6 O8 Zn -","1","0.5","XU5890","Akduran, Nurcan; Necefoğlu, Hacali; Aydoğdu, Ömer; Hökelek, Tuncer","Crystal structure of <i>trans</i>-diaquabis(4-cyanobenzoato-κ<i>O</i>)bis(<i>N</i>,<i>N</i>-diethylnicotinamide-κ<i>N</i>)zinc(II)","Acta Crystallographica Section E","2016","72","10","1374","1376","10.1107/S2056989016013815","","","0.71073","MoKα","","0.0353","0.0316","","","0.0817","0.084","","","","","","1.06","","","","has coordinates,has Fobs","186176","2020-10-21","18:00:00",""
"2241835","5.1776","0.0003","27.9346","0.0017","8.7893","0.0006","90","","96.203","0.002","90","","1263.79","0.14","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","BHQMBD","9,9'-{(1<i>E</i>,1'<i>E</i>)-[1,4-Phenylenebis(azanylylidene)]bis(methanylylidene)}bis(2,3,6,7-tetrahydro-1<i>H</i>,5<i>H</i>-pyrido[3,2,1-<i>ij</i>]quinolin-8-ol)","","- C32 H34 N4 O2 -","- C32 H34 N4 O2 -","- C64 H68 N8 O4 -","2","0.5","SU5322","Faizi, Md. Serajul Haque; Ali, Akram; Potaskalov, Vadim A.","Crystal structure of 9,9'-{(1<i>E</i>,1'<i>E</i>)-[1,4-phenylenebis(azanylylidene)]bis(methanylylidene)}bis(2,3,6,7-tetrahydro-1<i>H</i>,5<i>H</i>-pyrido[3,2,1-<i>ij</i>]quinolin-8-ol)","Acta Crystallographica Section E","2016","72","10","1366","1369","10.1107/S205698901601344X","","","0.71073","MoKα","","0.0991","0.0504","","","0.1085","0.1272","","","","","","1.023","","","","has coordinates,has Fobs","186177","2020-10-21","18:00:00",""
"2241836","7.7318","0.0003","9.6675","0.0004","12.8299","0.0005","76.511","0.004","76.157","0.004","73.928","0.003","880.3","0.06","294","2","294","2","","","","","","","","5","P -1","-P 1","2","","2-[2-(2,5-Dichlorobenzyloxy)-2-(furan-2-yl)ethyl]-2<i>H</i>-indazole","","- C20 H16 Cl2 N2 O2 -","- C20 H16 Cl2 N2 O2 -","- C40 H32 Cl4 N4 O4 -","2","1","XU5891","Özel Güven, Özden; Türk, Gökhan; Adler, Philip D. F.; Coles, Simon J.; Hökelek, Tuncer","Crystal structure of 2-[2-(2,5-dichlorobenzyloxy)-2-(furan-2-yl)ethyl]-2<i>H</i>-indazole","Acta Crystallographica Section E","2016","72","10","1377","1379","10.1107/S2056989016013827","","","0.71073","MoKα","","0.0348","0.0307","","","0.0801","0.0827","","","","","","1.048","","","","has coordinates,has Fobs","186178","2020-10-21","18:00:00",""
"2241837","5.663","0.0008","8.707","0.001","20.152","0.003","81.69","0.01","86.48","0.01","88.48","0.01","981.2","0.2","293","2","293","2","","","","","","","","3","P -1","-P 1","2","aryl cyclohexyl nonanoid","3,5-Dihydroxy-2-[9-(4-hydroxyphenyl)nonanoyl]cyclohexa-2,4-dien-1-one","","- C21 H26 O5 -","- C21 H26 O5 -","- C42 H52 O10 -","2","1","","Bauri, Ajoy Kumar; Foro, Sabine; Do, Nhu Quynh Nguyen","Crystal structure of an aryl cyclohexyl nonanoid, an antiproliferative molecule isolated from the spice <i>Myristica malabarica</i>","Acta Crystallographica Section E","2016","72","10","1408","1411","10.1107/S2056989016013797","","","0.71073","MoKα","","0.0948","0.0705","","","0.1626","0.1775","","","","","","1.098","","","","has coordinates,has disorder,has Fobs","186179","2020-10-21","18:00:00",""
"2241838","10.0452","0.0002","13.151","0.0002","21.0926","0.0004","90","","101.221","0.001","90","","2733.16","0.09","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","(Tris{2-[(5-chloro-2-oxidobenzylidene-κ<i>O</i>)amino-κ<i>N</i>]ethyl}amine)ytterbium(III)","","- C27 H24 Cl3 N4 O3 Yb -","- C27 H24 Cl3 N4 O3 Yb -","- C108 H96 Cl12 N16 O12 Yb4 -","4","1","HB7612","Lee, See Mun; Lo, Kong Mun; Tan, Sang Loon; Tiekink, Edward R. T.","(Tris{2-[(5-chloro-2-oxidobenzylidene-κ<i>O</i>)amino-κ<i>N</i>]ethyl}amine)ytterbium(III): crystal structure and Hirshfeld surface analysis","Acta Crystallographica Section E","2016","72","10","1390","1395","10.1107/S2056989016013748","","","0.71073","MoKα","","0.0341","0.0224","","","0.0491","0.0545","","","","","","1.053","","","","has coordinates,has Fobs","186180","2020-10-21","18:00:00",""
"2241839","6.9725","0.0001","7.3174","0.0001","8.9189","0.0002","69.241","0.001","79.975","0.001","70.127","0.001","399.422","0.012","153","2","153","2","","","","","","","","3","P -1","-P 1","2","","2-Acetyl-4-ethynylphenol","","- C10 H8 O2 -","- C10 H8 O2 -","- C20 H16 O4 -","2","1","SU5317","Hübscher, Jörg; Rosin, Robert; Seichter, Wilhelm; Weber, Edwin","Crystal structures of 2-acetyl-4-ethynylphenol and 2-acetyl-4-(3-hydroxy-3,3-dimethyl-1-propynyl)phenol","Acta Crystallographica Section E","2016","72","10","1370","1373","10.1107/S2056989016013451","","","0.71073","MoKα","","0.0422","0.038","","","0.1105","0.1154","","","","","","1.06","","","","has coordinates,has Fobs","186181","2020-10-21","18:00:00",""
"2241840","22.5787","0.0006","16.9306","0.0004","9.2849","0.0002","90","","101.815","0.001","90","","3474.15","0.14","153","2","153","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","2-Acetyl-4-(3-hydroxy-3,3-dimethyl-1-propynyl)phenol","","- C13 H14 O3 -","- C13 H14 O3 -","- C156 H168 O36 -","12","3","SU5317","Hübscher, Jörg; Rosin, Robert; Seichter, Wilhelm; Weber, Edwin","Crystal structures of 2-acetyl-4-ethynylphenol and 2-acetyl-4-(3-hydroxy-3,3-dimethyl-1-propynyl)phenol","Acta Crystallographica Section E","2016","72","10","1370","1373","10.1107/S2056989016013451","","","0.71073","MoKα","","0.0989","0.0472","","","0.1019","0.1171","","","","","","0.894","","","","has coordinates,has Fobs","186181","2020-10-21","18:00:00",""
"2241841","6.7773","0.0014","13.87","0.003","16.104","0.003","90","","93.788","0.003","90","","1510.5","0.5","294","2","294","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","4-(2-Ammonioethyl)morpholin-4-ium dichloridodiiodidocadmate/chloridotriiodidocadmate (0.90/0.10)","","- C6 H16 Cd Cl1.9 I2.1 N2 O -","- C6 H16 Cd Cl1.8977 I2.1023 N2 O -","- C24 H64 Cd4 Cl7.5908 I8.4092 N8 O4 -","4","1","WM5315","Mahbouli Rhouma, Najla; Rayes, Ali; Mezzadri, Francesco; Calestani, Gianluca; Loukil, Mohamed","Synthesis and crystal structure of 4-(2-ammonioethyl)morpholin-4-ium dichloridodiiodidocadmate/chloridotriiodidocadmate (0.90/0.10)","Acta Crystallographica Section E","2016","72","10","1404","1407","10.1107/S2056989016013967","","","0.71073","MoKα","","0.0283","0.0241","","","0.053","0.0545","","","","","","1.086","","","","has coordinates,has Fobs","186182","2020-10-21","18:00:00",""
"2241842","14.977","0.005","8.777","0.003","7.16","0.003","90","","97.9","0.005","90","","932.3","0.6","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","<i>catena</i>)-Poly[[(2,2'-bi-1<i>H</i>-imidazole-κ^2^<i>N</i>,<i>N</i>')cadmium]di-μ-chlorido]","","- C6 H6 Cd Cl2 N4 -","- C6 H6 Cd Cl2 N4 -","- C24 H24 Cd4 Cl8 N16 -","4","1","WM5319","Liu, Yang; Liu, Hai-Hui","Crystal structure and fluorescence properties of <i>catena</i>)-poly[[(2,2'-bi-1<i>H</i>-imidazole-κ^2^<i>N</i>,<i>N</i>')cadmium]di-μ-chlorido]","Acta Crystallographica Section E","2016","72","10","1421","1424","10.1107/S2056989016013736","","","0.71073","MoKα","","0.0466","0.0427","","","0.1099","0.1133","","","","","","1.099","","","","has coordinates,has Fobs","186492","2020-10-21","18:00:00",""
"2241843","35.4631","0.0011","40.2873","0.0012","4.8423","0.0001","90","","90","","90","","6918.3","0.3","296","2","296","2","","","","","","","","5","F d d 2","F 2 -2d","43","","Poly[{μ~3~-(<i>E</i>)-3-[3-(carboxylatomethoxy)phenyl]acrylato-κ^3^<i>O</i>,<i>O</i>':<i>O</i>'':<i>O</i>'''}[μ~2~-3-(pyridin-4-yl)-1<i>H</i>-pyrazole-κ^2^<i>N</i>:<i>N</i>']cobalt(II)]","","- C19 H15 Co N3 O5 -","- C19 H15 Co N3 O5 -","- C304 H240 Co16 N48 O80 -","16","1","PK2590","Zhao, Can; Li, Xiao-Zong; Kang, Hong-Lan; Wen, Yi-Hang","Crystal structure of poly[{μ~3~-(<i>E</i>)-3-[3-(carboxylatomethoxy)phenyl]acrylato-κ^3^<i>O</i>,<i>O</i>':<i>O</i>'':<i>O</i>'''}[μ~2~-3-(pyridin-4-yl)-1<i>H</i>-pyrazole-κ^2^<i>N</i>:<i>N</i>']cobalt(II)]","Acta Crystallographica Section E","2016","72","10","1425","1428","10.1107/S205698901601402X","","","0.71073","MoKα","","","0.0293","","","0.0585","0.061","","","","","","1.018","","","","has coordinates,has Fobs","186493","2020-10-21","18:00:00",""
"2241844","8.148","0.007","10.4408","0.0013","11.5796","0.0011","70.527","0.008","84.232","0.009","84.849","0.008","922.4","0.8","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","Bis[μ-5,6-bis(pyridin-2-yl)pyrazine-2,3-dicarboxylato]-κ^4^<i>N</i>^1^,<i>O</i>^2^,<i>N</i>^6^:<i>O</i>^3^;κ^4^<i>O</i>^3^:<i>N</i>^1^,<i>O</i>^2^,<i>N</i>^6^-bis[diaquamanganese(II)] tetrahydrate","","- C32 H32 Mn2 N8 O16 -","- C32 H32 Mn2 N8 O16 -","- C32 H32 Mn2 N8 O16 -","1","0.5","","Alfonso, Monserrat; Stoeckli-Evans, Helen","Isotypic Mn^II^ and Fe^II^ binuclear complexes of the ligand 5,6-bis(pyridin-2-yl)-pyrazine-2,3-dicarboxylic acid","Acta Crystallographica Section E","2016","72","10","1412","1416","10.1107/S2056989016014055","","","0.71073","MoKα","","0.0611","0.045","","","0.0971","0.108","","","","","","1.112","","","","has coordinates,has Fobs","186494","2020-10-21","18:00:00",""
"2241845","8.0933","0.0009","10.3403","0.0011","11.5679","0.0012","69.5","0.012","83.593","0.013","84.238","0.013","899.16","0.18","223","2","223","2","","","","","","","","5","P -1","-P 1","2","","Bis[μ-5,6-bis(pyridin-2-yl)pyrazine-2,3-dicarboxylato]-κ^4^<i>N</i>^1^,<i>O</i>^2^,<i>N</i>^6^:<i>O</i>^3^;κ^4^<i>O</i>^3^:<i>N</i>^1^,<i>O</i>^2^,<i>N</i>^6^-bis[diaquairon(II)] tetrahydrate","","- C32 H32 Fe2 N8 O16 -","- C32 H32 Fe2 N8 O16 -","- C32 H32 Fe2 N8 O16 -","1","0.5","","Alfonso, Monserrat; Stoeckli-Evans, Helen","Isotypic Mn^II^ and Fe^II^ binuclear complexes of the ligand 5,6-bis(pyridin-2-yl)-pyrazine-2,3-dicarboxylic acid","Acta Crystallographica Section E","2016","72","10","1412","1416","10.1107/S2056989016014055","","","0.71073","MoKα","","0.0591","0.0458","","","0.1113","0.1155","","","","","","0.969","","","","has coordinates,has Fobs","186494","2020-10-21","18:00:00",""
"2241846","18.599","0.004","26.986","0.005","14.042","0.003","90","","90","","90","","7048","3","243","2","243","2","","","","","","","","6","F d d 2","F 2 -2d","43","","<i>cis</i>-[dichlorido(1,4,8,11-tetraazacyclotetradecane-<i>κN</i>^4^)chromium(III)][oxalato(1,4,8,11-tetraazacyclotetradecane-<i>κN</i>^4^)chromium(III)]","","- C22 H48 Cl4 Cr2 N8 O12 -","- C22 H48 Cl4 Cr2 N8 O12 -","- C176 H384 Cl32 Cr16 N64 O96 -","8","0.5","WM5323","Moon, Dohyun; Choi, Jong-Ha","Crystal structure of <i>cis</i>-[dichlorido(1,4,8,11-tetraazacyclotetradecane-<i>{κ</i>N}^4^)chromium(III)][oxalato(1,4,8,11-tetraazacyclotetradecane-<i>{κ</i>N}^4^)chromium(III)] diperchlorate from synchrotron data","Acta Crystallographica Section E","2016","72","10","1417","1420","10.1107/S2056989016014134","","","0.67","synchrotron","","0.0651","0.0567","","","0.1427","0.1502","","","","","","1.036","","","","has coordinates,has Fobs","186495","2020-10-21","18:00:00",""
"2241847","11.045","0.002","9.2023","0.0018","11.062","0.002","90","","100.91","0.03","90","","1104","0.4","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","5a(<i>RS</i>),6(<i>SR</i>),7(<i>RS</i>),9a(<i>SR</i>),9b(<i>SR</i>)-5-Oxo-1,2,3,5,5a,6,7,9b-octahydro-7,9a-epoxypyrrolo[2,1-<i>a</i>]isoindole-6-carboxylic acid","","- C12 H13 N O4 -","- C12 H13 N O4 -","- C48 H52 N4 O16 -","4","1","ZS2368","Poplevin, Dmitry S.; Zubkov, Fedor I.; Dorovatovskii, Pavel V.; Zubavichus, Yan V.; Khrustalev, Victor N.","Crystal structures of the two epimers from the unusual thermal C6-epimerization of 5-oxo-1,2,3,5,5a,6,7,9b-octahydro-7,9a-epoxypyrrolo[2,1-<i>a</i>]isoindole-6-carboxylic acid, 5a(<i>RS</i>),6(<i>SR</i>),7(<i>RS</i>),9a(<i>SR</i>),9b(<i>SR</i>) and 5a(<i>RS</i>),6(<i>RS</i>),7(<i>RS</i>),9a(<i>SR</i>),9b(<i>SR</i>)","Acta Crystallographica Section E","2016","72","10","1429","1433","10.1107/S2056989016014420","","","0.9699","synchrotron","","0.0838","0.0718","","","0.1757","0.189","","","","","","1.016","","","","has coordinates,has Fobs","186606","2020-10-21","18:00:00",""
"2241848","8.47","0.0017","8.51","0.0017","8.59","0.0017","94.04","0.03","111.12","0.03","105.17","0.03","548","0.3","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","5a(<i>RS</i>),6(<i>RS</i>),7(<i>RS</i>),9a(<i>SR</i>),9b(<i>SR</i>)-5-Oxo-1,2,3,5,5a,6,7,9b-octahydro-7,9a-epoxypyrrolo[2,1-<i>a</i>]isoindole-6-carboxylic acid","","- C12 H13 N O4 -","- C12 H13 N O4 -","- C24 H26 N2 O8 -","2","1","ZS2368","Poplevin, Dmitry S.; Zubkov, Fedor I.; Dorovatovskii, Pavel V.; Zubavichus, Yan V.; Khrustalev, Victor N.","Crystal structures of the two epimers from the unusual thermal C6-epimerization of 5-oxo-1,2,3,5,5a,6,7,9b-octahydro-7,9a-epoxypyrrolo[2,1-<i>a</i>]isoindole-6-carboxylic acid, 5a(<i>RS</i>),6(<i>SR</i>),7(<i>RS</i>),9a(<i>SR</i>),9b(<i>SR</i>) and 5a(<i>RS</i>),6(<i>RS</i>),7(<i>RS</i>),9a(<i>SR</i>),9b(<i>SR</i>)","Acta Crystallographica Section E","2016","72","10","1429","1433","10.1107/S2056989016014420","","","0.9699","synchrotron","","0.1278","0.0988","","","0.2098","0.2404","","","","","","0.928","","","","has coordinates,has Fobs","186606","2020-10-21","18:00:00",""
"2241849","5.9601","0.0015","6.767","0.0017","13.112","0.004","84.955","0.018","83.25","0.02","83.042","0.019","519.8","0.2","10","2","10","2","","","","","","","","6","P -1","-P 1","2","glycine zinc sulfate pentahydrate","Hexaaquazinc(II) tetraaqua-diglycine zinc(II) bissulfate","","- C4 H30 N2 O22 S2 Zn2 -","- C4 H30 N2 O22 S2 Zn2 -","- C4 H30 N2 O22 S2 Zn2 -","1","0.5","WM5318","Fortes, A. Dominic; Howard, Christopher M.; Wood, Ian G.; Gutmann, Matthias J.","Glycine zinc sulfate pentahydrate, redetermination at 10K from time-of-flight neutron Laue diffraction","Acta Crystallographica Section E","2016","72","10","1438","1445","10.1107/S2056989016014304","","","","neutron","","0.0892","0.0892","","","0.2456","0.2456","","","","","","1.092","","","","has coordinates,has Fobs","186607","2020-10-21","18:00:00",""
"2241850","9.3884","0.0008","10.061","0.0008","13.3572","0.0011","96.194","0.001","102.487","0.001","99.443","0.001","1201.6","0.17","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","[(<i>Z</i>-<i>N</i>-(2-methylphenyl)-<i>O</i>-methylthiocarbamato-κ<i>S</i>)(triphenylphosphane)-κ<i>P</i>]gold(I)","","- C27 H25 Au N O P S -","- C27 H25 Au N O P S -","- C54 H50 Au2 N2 O2 P2 S2 -","2","1","HB7616","Yeo, Chien Ing; Tan, Sang Loon; Tiekink, Edward R. T.","A non-solvated form of [(<i>Z</i>-<i>N</i>-(2-methylphenyl)-<i>O</i>-methylthiocarbamato-κ<i>S</i>)(triphenylphosphane)-κ<i>P</i>]gold(I): crystal structure and Hirshfeld surface analysis","Acta Crystallographica Section E","2016","72","10","1446","1452","10.1107/S2056989016014419","","","0.71073","MoKα","","0.0254","0.0225","","","0.054","0.0551","","","","","","1.041","","","","has coordinates,has Fobs","186608","2020-10-21","18:00:00",""
"2241851","8.2739","0.0002","17.4955","0.0005","7.2365","0.0002","90","","108.756","0.001","90","","991.9","0.05","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","<i>N</i>,<i>N</i>'-Bis(pyridin-4-ylmethyl)cyclohexane-1,4-diammonium dichloride dihydrate","","- C18 H30 Cl2 N4 O2 -","- C18 H30 Cl2 N4 O2 -","- C36 H60 Cl4 N8 O4 -","2","0.5","","Moon, Suk-Hee; Kang, Donghyun; Park, Ki-Min","Crystal structure of <i>N</i>,<i>N</i>'-bis(pyridin-4-ylmethyl)cyclohexane-1,4-diammonium dichloride dihydrate","Acta Crystallographica Section E","2016","72","10","1453","1455","10.1107/S2056989016014626","","","0.71073","MoKα","","0.0385","0.0339","","","0.0854","0.0883","","","","","","1.042","","","","has coordinates,has Fobs","186748","2020-10-21","18:00:00",""
"2241852","18.5025","0.0012","17.8739","0.0012","19.7857","0.0013","90","","116.428","0.001","90","","5859.5","0.7","125","2","125","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","2-Chloro-1,3-(2,6-diisopropylphenyl)-4,5-dihydro-1<i>H</i>-imidazol-3-ium tetrakis(3,5-trifluoromethylphenyl)borate","","- C59 H50 B Cl F24 N2 -","- C59 H50 B Cl F23.9982 N2 -","- C236 H200 B4 Cl4 F95.9928 N8 -","4","1","LH5822","Stack, Darcie L.; Masuda, Jason D.","Crystal structure of 2-chloro-1,3-(2,6-diisopropylphenyl)-4,5-dihydro-1<i>H</i>-imidazol-3-ium tetrakis(3,5-trifluoromethylphenyl)borate","Acta Crystallographica Section E","2016","72","10","1471","1474","10.1107/S2056989016014584","","","0.71073","MoKα","","0.0628","0.044","","","0.1025","0.1133","","","","","","1.022","","","","has coordinates,has disorder,has Fobs","186749","2020-10-21","18:00:00",""
"2241853","8.3925","0.0009","14.0939","0.0015","15.8448","0.0017","90","","90","","90","","1874.2","0.3","296","2","296.15","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","[<i>N</i>,<i>N</i>-Bis(2-hydroxyethyl)glycinato]chloridocobalt(II)","","- C6 H12 Cl Co N O4 -","- C6 H12 Cl Co N O4 -","- C48 H96 Cl8 Co8 N8 O32 -","8","1","LH5821","Zhou, Yanling; Liu, Xianrong; Wang, Qijun; Wang, Lisheng; Song, Baoling","Crystal structure, solvothermal synthesis, thermogravimetric studies and DFT calculations of a five-coordinate cobalt(II) compound based on the <i>N</i>,<i>N</i>-bis(2-hydroxyethyl)glycine anion","Acta Crystallographica Section E","2016","72","10","1463","1467","10.1107/S2056989016014596","","","0.71073","MoKα","","0.026","0.0252","","","0.065","0.0656","","","","","","1.135","","","","has coordinates,has Fobs","186750","2020-10-21","18:00:00",""
"2241854","7.6451","0.0002","15.1102","0.0004","17.0314","0.0005","67.1562","0.0018","80.5936","0.0017","84.0996","0.0017","1787.08","0.09","173","2","173","2","","","","","","","","5","P -1","-P 1","2","azimsulfuron","1-(4,6-Dimethoxypyrimidin-2-yl)-3-{[1-methyl-4-(2-methyl-2<i>H</i>-tetrazol-5-yl)pyrazol-5-yl]sulfonyl}urea","","- C13 H16 N10 O5 S -","- C13 H16 N10 O5 S -","- C52 H64 N40 O20 S4 -","4","2","","Kwon, Eunjin; Kim, Jineun; Park, Hyunjin; Kim, Tae Ho","A second triclinic polymorph of azimsulfuron","Acta Crystallographica Section E","2016","72","10","1468","1470","10.1107/S2056989016014845","","","0.71073","MoKα","","0.0642","0.0445","","","0.1044","0.1136","","","","","","1.067","","","","has coordinates,has Fobs","186751","2020-10-21","18:00:00",""
"2241855","6.7275","0.0004","6.8963","0.0004","20.0643","0.001","97.956","0.004","98.767","0.004","94.309","0.005","906.73","0.09","123","2","123","2","","","","","","","","5","P -1","-P 1","2","","4-Aminopyridinium hydrogen (9-phosphonononyl)phosphonate","","- C14 H28 N2 O6 P2 -","- C14 H28 N2 O6 P2 -","- C28 H56 N4 O12 P4 -","2","1","","van Megen, Martin; Reiss, Guido J.; Frank, Walter","Hydrogen bonding, π‒π stacking and van der Waals forces-dominated layered regions in the crystal structure of 4-aminopyridinium hydrogen (9-phosphonononyl)phosphonate","Acta Crystallographica Section E","2016","72","10","1456","1459","10.1107/S2056989016014298","","","0.71073","MoKα","","0.0456","0.0378","","","0.0753","0.0786","","","","","","1.015","","","","has coordinates,has Fobs","186752","2020-10-21","18:00:00",""
"2241856","5.6138","0.0018","9.018","0.002","16.514","0.005","80.533","0.013","87.519","0.014","83.353","0.014","818.8","0.4","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","6-(4-Chlorophenyl)-2-(4-methylbenzyl)imidazo[2,1-<i>b</i>][1,3,4]thiadiazole-5-carbaldehyde","","- C19 H14 Cl N3 O S -","- C19 H14 Cl N3 O S -","- C38 H28 Cl2 N6 O2 S2 -","2","1","SU5325","Sowmya, A.; Anil Kumar, G. N.; Kumar, Sujeet; Karki, Subhas S.","The crystal structure of 6-(4-chlorophenyl)-2-(4-methylbenzyl)imidazo[2,1-<i>b</i>][1,3,4]thiadiazole-5-carbaldehyde","Acta Crystallographica Section E","2016","72","10","1460","1462","10.1107/S2056989016014754","","","0.71073","MoKα","","0.0494","0.0415","","","","0.11","","","","","","1.048","","","","has coordinates,has Fobs","186753","2020-10-21","18:00:00",""
"2241857","9.5856","0.0002","11.614","0.0002","13.6795","0.0003","78.043","0.002","77.868","0.002","82.358","0.002","1450.2","0.05","139","2","139","2","","","","","","","","5","P -1","-P 1","2","","[<i>N</i>-Benzyl-<i>N</i>-(2-phenylethyl)dithiocarbamato-κ^2^<i>S</i>,<i>S</i>']triphenyltin(IV)","","- C34 H31 N S2 Sn -","- C34 H31 N S2 Sn -","- C68 H62 N2 S4 Sn2 -","2","1","HB7618","Mohamad, Rapidah; Awang, Normah; Kamaludin, Nurul Farahana; Jotani, Mukesh M.; Tiekink, Edward R. T.","[<i>N</i>-Benzyl-<i>N</i>-(2-phenylethyl)dithiocarbamato-κ^2^<i>S</i>,<i>S</i>']triphenyltin(IV) and [bis(2-methoxyethyl)dithiocarbamato-κ^2^<i>S</i>,<i>S</i>']triphenyltin(IV): crystal structures and Hirshfeld surface analysis","Acta Crystallographica Section E","2016","72","10","1480","1487","10.1107/S2056989016014985","","","0.71073","MoKα","","0.0257","0.0224","","","0.0527","0.0547","","","","","","0.997","","","","has coordinates,has Fobs","186799","2020-10-21","18:00:00",""
"2241858","9.6703","0.0002","9.8015","0.0002","13.8515","0.0003","95.092","0.002","99.467","0.002","105.841","0.002","1233.41","0.05","147","2","147","2","","","","","","","","6","P -1","-P 1","2","","[Bis(2-methoxyethyl)dithiocarbamato-κ^2^<i>S</i>,<i>S</i>']triphenyltin(IV)","","- C25 H29 N O2 S2 Sn -","- C25 H29 N O2 S2 Sn -","- C50 H58 N2 O4 S4 Sn2 -","2","1","HB7618","Mohamad, Rapidah; Awang, Normah; Kamaludin, Nurul Farahana; Jotani, Mukesh M.; Tiekink, Edward R. T.","[<i>N</i>-Benzyl-<i>N</i>-(2-phenylethyl)dithiocarbamato-κ^2^<i>S</i>,<i>S</i>']triphenyltin(IV) and [bis(2-methoxyethyl)dithiocarbamato-κ^2^<i>S</i>,<i>S</i>']triphenyltin(IV): crystal structures and Hirshfeld surface analysis","Acta Crystallographica Section E","2016","72","10","1480","1487","10.1107/S2056989016014985","","","0.71073","MoKα","","0.027","0.0234","","","0.0543","0.0561","","","","","","1.03","","","","has coordinates,has disorder,has Fobs","186799","2020-10-21","18:00:00",""
"2241859","18.5886","0.0004","9.3071","0.0004","10.6646","0.0008","90","","105.644","0.003","90","","1776.69","0.16","293","2","293","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Poly[{μ~2~-2-[2-(2,6-dichloroanilino)phenyl]acetato-κ^2^<i>O</i>:<i>O</i>'}(μ~2~-pyrimidine-κ^2^<i>N</i>^1^:<i>N</i>^3^)silver(I)]","","- C18 H14 Ag Cl2 N3 O2 -","- C18 H14 Ag Cl2 N3 O2 -","- C72 H56 Ag4 Cl8 N12 O8 -","4","1","ZS2370","Hamamci Alisir, Sevim; Dege, Necmi","Crystal structure of a mixed-ligand silver(I) complex of the non-steroidal anti-inflammatory drug diclofenac and pyrimidine","Acta Crystallographica Section E","2016","72","10","1475","1479","10.1107/S2056989016014730","","","0.71073","MoKα","","0.0514","0.0394","","","0.0899","0.0949","","","","","","1.042","","","","has coordinates,has Fobs","186800","2020-10-21","18:00:00",""
"2241860","12.17737","0.00014","17.2876","0.0002","17.8916","0.0002","110.954","0.0012","96.276","0.0011","103.516","0.001","3341.92","0.08","100","0.1","100","0.1","","","","","","","","6","P -1","-P 1","2","","<i>N</i>,<i>N</i>'-Bis[2-((benzyl){[5-(dimethylamino)naphthalen-1-yl]sulfonyl}amino)ethyl]naphthalene-1,8:4,5-tetracarboximide 1,2-dichlorobenzene trisolvate","","- C74 H62 Cl6 N6 O8 S2 -","- C74 H62 Cl6 N6 O8 S2 -","- C148 H124 Cl12 N12 O16 S4 -","2","1","ZS2369","Claudio-Catalán, Miguel Ángel; Medrano, Felipe; Tlahuext, Hugo; Godoy-Alcántar, Carolina","Crystal structure of <i>N</i>,<i>N</i>'-bis[2-((benzyl){[5-(dimethylamino)naphthalen-1-yl]sulfonyl}amino)ethyl]naphthalene-1,8:4,5-tetracarboximide 1,2-dichlorobenzene trisolvate","Acta Crystallographica Section E","2016","72","10","1503","1508","10.1107/S2056989016015188","","","1.54184","CuKα","","0.0377","0.0343","","","0.0946","0.0973","","","","","","1.033","","","","has coordinates,has Fobs","186854","2020-10-21","18:00:00",""
"2241861","7.0242","0.0006","6.2316","0.0006","17.1574","0.0015","90","","91.473","0.007","90","","750.77","0.12","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","6-Fluoro-3-[2-(6-fluoro-3,4-dihydro-2<i>H</i>-1,3-benzoxazin-3-yl)ethyl]-\ 3,4-dihydro-2<i>H</i>-1,3-benzoxazine","3,3'-(Ethane-1,2-diyl)bis(6-fluoro-3,4-dihydro-2<i>H</i>-1,3-benzoxazine)","","- C18 H18 F2 N2 O2 -","- C18 H18 F2 N2 O2 -","- C36 H36 F4 N4 O4 -","2","0.5","SJ5506","Rivera, Augusto; Rojas, Jicli José; Ríos-Motta, Jaime; Bolte, Michael","Crystal structure and C—H···F hydrogen bonding in the fluorinated bis-benzoxazine: 3,3'-(ethane-1,2-diyl)bis(6-fluoro-3,4-dihydro-2<i>H</i>-1,3-benzoxazine)","Acta Crystallographica Section E","2016","72","10","1509","1511","10.1107/S2056989016015243","","","0.71073","MoKα","","0.0525","0.0411","","","0.0963","0.101","","","","","","1.083","","","","has coordinates,has Fobs","186855","2020-10-21","18:00:00",""
"2241862","8.1798","0.0008","15.8675","0.0013","27.775","0.004","90","","90","","90","","3605","0.7","296","2","296","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","Bis(azido-κ<i>N</i>)bis(quinolin-8-amine-κ^2^<i>N</i>,<i>N</i>')iron(II)","","- C18 H16 Fe N10 -","- C18 H16 Fe N10 -","- C144 H128 Fe8 N80 -","8","1","PJ2035","Setifi, Fatima; Moon, Dohyun; Koen, Robeyns; Setifi, Zouaoui; Lamsayah, Morad; Touzani, Rachid","Crystal structure of bis(azido-κ<i>N</i>)bis(quinolin-8-amine-κ^2^<i>N</i>,<i>N</i>')iron(II)","Acta Crystallographica Section E","2016","72","10","1488","1491","10.1107/S2056989016014808","","","0.71073","MoKα","","0.136","0.0527","","","0.0966","0.1205","","","","","","0.969","","","","has coordinates,has Fobs","186856","2020-10-21","18:00:00",""
"2241863","17.132","0.001","13.6108","0.0008","18.9712","0.0011","90","","110.887","0.001","90","","4133","0.4","273","2","273.15","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","Bis(1-{[(quinolin-8-yl)imino]methyl}pyrene-κ^2^<i>N</i>,<i>N</i>')silver(I) trifluoromethanesulfonate","","- C53 H32 Ag F3 N4 O3 S -","- C53 H32 Ag F3 N4 O3 S -","- C212 H128 Ag4 F12 N16 O12 S4 -","4","1","WM5314","Pinto, Miguel; Chakraborty, Indranil; Mascharak, Pradip","Synthesis and crystal structure of bis(1-{[(quinolin-8-yl)imino]methyl}pyrene-κ^2^<i>N</i>,<i>N</i>')silver(I) trifluoromethanesulfonate","Acta Crystallographica Section E","2016","72","10","1495","1498","10.1107/S205698901601519X","","","0.71073","MoKα","","0.111","0.0584","","","0.1489","0.1813","","","","","","1.028","","","","has coordinates,has Fobs","186857","2020-10-21","18:00:00",""
"2241864","11.0786","0.0008","18.9529","0.0014","6.699","0.0005","90","","90","","90","","1406.6","0.18","154","","154","","","","","","","","","4","P 21 21 2","P 2 2ab","18","","Diaquadi-μ-hydroxido-tris[trimethyltin(IV)] diformatotrimethylstannate(IV)","","- C7 H22 O4 Sn2 -","- C7 H22 O4 Sn2 -","- C28 H88 O16 Sn8 -","4","1","","Otte, Felix; Koller, Stephan G.; Golz, Christopher; Strohmann, Carsten","Crystal structures of diaquadi-μ-hydroxido-tris[trimethyltin(IV)] diformatotrimethylstannate(IV) and di-μ-hydroxido-tris[trimethyltin(IV)] chloride monohydrate","Acta Crystallographica Section E","2016","72","10","1499","1502","10.1107/S2056989016014912","","","0.71073","MoKα","","0.0152","0.0135","","","0.0262","0.0266","","","","","","1.056","","","","has coordinates,has disorder,has Fobs","186858","2020-10-21","18:00:00",""
"2241865","12.623","0.003","8.2675","0.0018","18.421","0.005","90","","90","","90","","1922.4","0.8","100.02","","100.02","","","","","","","","","5","P c a 21","P 2c -2ac","29","","Di-μ-hydroxido-tris[trimethyltin(IV)] chloride monohydrate","","- C9 H31 Cl O3 Sn3 -","- C9 H31 Cl O3 Sn3 -","- C36 H124 Cl4 O12 Sn12 -","4","1","","Otte, Felix; Koller, Stephan G.; Golz, Christopher; Strohmann, Carsten","Crystal structures of diaquadi-μ-hydroxido-tris[trimethyltin(IV)] diformatotrimethylstannate(IV) and di-μ-hydroxido-tris[trimethyltin(IV)] chloride monohydrate","Acta Crystallographica Section E","2016","72","10","1499","1502","10.1107/S2056989016014912","","","0.71073","MoKα","","0.024","0.0217","","","0.0491","0.0501","","","","","","1.061","","","","has coordinates,has Fobs","186858","2020-10-21","18:00:00",""
"2241866","19.5045","0.0015","7.5486","0.0005","14.9387","0.0011","90","","125.56","0.007","90","","1789.3","0.3","200","2","200","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","Diaquabis(2-chloropyridine-κ<i>N</i>)bis(thiocyanato-κ<i>N</i>)nickel(II)","","- C12 H12 Cl2 N4 Ni O2 S2 -","- C12 H12 Cl2 N4 Ni O2 S2 -","- C48 H48 Cl8 N16 Ni4 O8 S8 -","4","0.5","WM5326","Suckert, Stefan; Jess, Inke; Näther, Christian","Crystal structure of diaquabis(2-chloropyridine-κ<i>N</i>)bis(thiocyanato-κ<i>N</i>)nickel(II)","Acta Crystallographica Section E","2016","72","10","1492","1494","10.1107/S2056989016015218","","","0.71073","MoKα","","0.0573","0.0492","","","0.1174","0.1226","","","","","","1.029","","","","has coordinates,has Fobs","186859","2020-10-21","18:00:00",""
"2241867","9.6621","0.0005","9.6621","0.0005","27.894","0.0017","90","","90","","90","","2604.1","0.2","200","2","200","2","","","","","","","","4","P 41","P 4w","76","","Dimethylammonium 2,4,5-tricarboxybenzoate","","- C12 H13 N O8 -","- C12 H13 N O8 -","- C96 H104 N8 O64 -","8","2","SJ5505","Hulushe, S. T.; Hosten, E. C.; Watkins, G. M.","Dimethylammonium 2,4,5-tricarboxybenzoate: an example of the decarbonylation of <i>N</i>,<i>N</i>-dimethylformamide in the presence of a metal and a benzenepolycarboxylic acid. Is zirconium(IV) the <i>Tsotsi</i>?","Acta Crystallographica Section E","2016","72","11","1521","1525","10.1107/S2056989016014948","","","0.71073","MoKα","","0.0482","0.0455","","","0.1322","0.1338","","","","","","1.147","","","","has coordinates,has Fobs","186912","2020-10-21","18:00:00",""
"2241868","11.3604","0.0002","11.5688","0.0002","23.22","0.0003","103.707","0.001","90.409","0.001","93.654","0.001","2958","0.08","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","Bis(tetrabutylammonium) di-μ~3~-chlorido-tris(μ-4-iodopyrazolato-κ^2^<i>N</i>:<i>N</i>')tris[chloridocuprate(II)] 1,4-dioxane hemisolvate","","- C43 H82 Cl5 Cu3 I3 N8 O -","- C43 H82 Cl5 Cu3 I3 N8 O -","- C86 H164 Cl10 Cu6 I6 N16 O2 -","2","1","GK2666","Surmann, Stuart A.; Mezei, Gellert","Halogen-bonded network of trinuclear copper(II) 4-iodopyrazolate complexes formed by mutual breakdown of chloroform and nanojars","Acta Crystallographica Section E","2016","72","11","1517","1520","10.1107/S205698901601536X","","","0.71073","MoKα","","0.0705","0.054","","","0.1391","0.1532","","","","","","1.015","","","","has coordinates,has disorder,has Fobs","186914","2020-10-21","18:00:00",""
"2241869","9.93297","0.00007","13.7239","0.0001","18.0794","0.00013","90","","92.838","0.0006","90","","2461.54","0.03","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Bis[μ-<i>N</i>,<i>N</i>',<i>N</i>'',<i>N</i>'''-tetraisopropyl-1-(1-butylamidinato)guanidinato-κ^3^<i>N</i>^1^,<i>N</i>^2^:<i>N</i>^2^]bis[(tetrahydrofuran)lithium]","","- C44 H90 Li2 N8 O2 -","- C44 H90 Li2 N8 O2 -","- C88 H180 Li4 N16 O4 -","2","0.5","ZL2679","Sroor, Farid M.; Liebing, Phil; Hrib, Cristian G.; Gräsing, Daniel; Hilfert, Liane; Edelmann, Frank T.","Formation and structure of the first metal complexes comprising amidinoguanidinate ligands","Acta Crystallographica Section E","2016","72","11","1526","1531","10.1107/S2056989016015322","","","1.54184","CuKα","","0.0399","0.0361","","","0.0932","0.0964","","","","","","1.046","","","","has coordinates,has Fobs","186915","2020-10-21","18:00:00",""
"2241870","12.909","0.003","15.095","0.003","16.786","0.003","100.67","0.03","97.2","0.03","109.5","0.03","2967.5","1.3","153","2","153","2","","","","","","","","7","P -1","-P 1","2","","[Bis(tetrahydrofuran)lithium]-di-μ-chlorido-{(<i>N</i>,<i>N</i>'-dicyclohexyl-1-butylamidinato-κ^2^<i>N</i>^1^,<i>N</i>^2^)[<i>N</i>,<i>N</i>',<i>N</i>'',<i>N</i>'''-tetracyclohexyl-1-(1-butylamidinato)guanidinato-κ^2^<i>N</i>^1^,<i>N</i>^2^]holmate(III)}","","- C55 H100 Cl2 Ho Li N6 O2 -","- C55 H100 Cl2 Ho Li N6 O2 -","- C110 H200 Cl4 Ho2 Li2 N12 O4 -","2","1","","Sroor, Farid M.; Liebing, Phil; Hrib, Cristian G.; Gräsing, Daniel; Hilfert, Liane; Edelmann, Frank T.","Formation and structure of the first metal complexes comprising amidinoguanidinate ligands","Acta Crystallographica Section E","2016","72","11","1526","1531","10.1107/S2056989016015322","","","0.71073","MoKα","","0.0794","0.0476","","","0.0682","0.074","","","","","","0.911","","","","has coordinates,has disorder,has Fobs","186915","2020-10-21","18:00:00",""
"2241871","16.319","0.006","6.024","0.002","7.745","0.003","90","","99.524","0.005","90","","750.9","0.5","125","2","125","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","6-Chloroindanone","6-Chloroindan-1-one","","- C9 H7 Cl O -","- C9 H7 Cl O -","- C36 H28 Cl4 O4 -","4","1","SJ5508","Caruso, Alessio; Blair, Benjamin; Tanski, Joseph M.","Crystal structures of 6-chloroindan-1-one and 6-bromoindan-1-one exhibit different intermolecular packing interactions","Acta Crystallographica Section E","2016","72","11","1536","1540","10.1107/S2056989016015371","","","0.71073","MoKα","","0.0317","0.0299","","","0.0819","0.0833","","","","","","1.081","","","","has coordinates,has Fobs","187004","2020-10-21","18:00:00",""
"2241872","6.489","0.002","17.101","0.006","7.224","0.003","90","","102.964","0.005","90","","781.2","0.5","125","2","125","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","6-Bromoindanone","6-Bromoindan-1-one","","- C9 H7 Br O -","- C9 H7 Br O -","- C36 H28 Br4 O4 -","4","1","SJ5508","Caruso, Alessio; Blair, Benjamin; Tanski, Joseph M.","Crystal structures of 6-chloroindan-1-one and 6-bromoindan-1-one exhibit different intermolecular packing interactions","Acta Crystallographica Section E","2016","72","11","1536","1540","10.1107/S2056989016015371","","","0.71073","MoKα","","0.0416","0.03","","","0.1144","0.1515","","","","","","1.03","","","","has coordinates,has Fobs","187004","2020-10-21","18:00:00",""
"2241873","16.0785","0.001","5.7927","0.0005","8.9262","0.0007","90","","107.542","0.004","90","","792.71","0.11","295","2","295","2","","","","","","","","4","C 1 2 1","C 2y","5","","Pentastrontium tetrakis[oxotellurate(IV)] dihydroxide","","- H2 O14 Sr5 Te4 -","- H2 O14 Sr5 Te4 -","- H4 O28 Sr10 Te8 -","2","0.5","HB7619","Weil, Matthias; Shirkhanlou, Mahdi","Crystal structure of Sr~5~Te~4~O~12~(OH)~2~, the first basic strontium oxotellurate(IV)","Acta Crystallographica Section E","2016","72","11","1532","1535","10.1107/S2056989016015577","","","0.71073","MoKα","","0.0816","0.0418","","","0.075","0.0851","","","","","","1.019","","","","has coordinates,has Fobs","194389","2020-10-21","18:00:00",""
"2241874","6.1456","0.0003","5.6385","0.0002","28.2561","0.001","90","","94.147","0.002","90","","976.57","0.07","293","2","293","2","","","","","","","","5","I 1 2 1","I 2y","5","","1-Carboxy-2-(3,4-dihydroxyphenyl)ethan-1-aminium bromide 2-ammonio-3-(3,4-dihydroxyphenyl)propanoate","","- C18 H23 Br N2 O8 -","- C18 H23 Br N2 O8 -","- C36 H46 Br2 N4 O16 -","2","0.5","","Kathiravan, Perumal; Balakrishnan, Thangavelu; Venkatesan, Perumal; Ramamurthi, Kandasamy; Percino, María Judith; Thamotharan, Subbiah","Crystal structure and Hirshfeld surface analysis of 1-carboxy-2-(3,4-dihydroxyphenyl)ethan-1-aminium bromide 2-ammonio-3-(3,4-dihydroxyphenyl)propanoate","Acta Crystallographica Section E","2016","72","11","1544","1548","10.1107/S2056989016015425","","","0.71073","MoKα","","0.0329","0.026","","","0.0549","0.0562","","","","","","0.972","","","","has coordinates,has Fobs","187006","2020-10-21","18:00:00",""
"2241875","10.547","0.004","17.317","0.006","7.592","0.003","90","","90","","90","","1386.6","0.9","298","2","298","2","","","","","","","","5","P n a 21","P 2c -2n","33","","<i>rac</i>-2,3-Diphenyl-2,3,5,6-tetrahydro-4<i>H</i>-1,3-thiazin-4-one 1-oxide","","- C16 H15 N O2 S -","- C16 H15 N O2 S -","- C64 H60 N4 O8 S4 -","4","1","GK2665","Yennawar, Hemant P.; Yang, Ziwei; Silverberg, Lee J.","Crystal structure of <i>rac</i>-2,3-diphenyl-2,3,5,6-tetrahydro-4<i>H</i>-1,3-thiazin-4-one 1-oxide","Acta Crystallographica Section E","2016","72","11","1541","1543","10.1107/S2056989016015395","","","0.71073","MoKα","","0.0801","0.0746","","","0.1587","0.1612","","","","","","1.264","","","","has coordinates,has Fobs","187007","2020-10-21","18:00:00",""
"2241876","4.6834","0.0002","12.9567","0.0007","16.113","0.0008","90","","90","","90","","977.76","0.08","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","1-(2-Bromoethyl)indoline-2,3-dione","","- C10 H8 Br N O2 -","- C10 H8 Br N O2 -","- C40 H32 Br4 N4 O8 -","4","1","","Sharmila, N.; Sundar, T. V.; Sathish, G.; Venkatesan, P.","Crystal and geometry-optimized structure, and Hirshfeld surface analysis of 1-(2-bromoethyl)indoline-2,3-dione","Acta Crystallographica Section E","2016","72","11","1569","1573","10.1107/S2056989016015760","","","0.71073","MoKα","","0.1384","0.0549","","","0.0697","0.0838","","","","","","1.016","","","","has coordinates,has Fobs","187274","2020-10-21","18:00:00",""
"2241877","7.294","0.0015","10.738","0.002","10.845","0.002","114.1","0.03","102.46","0.03","97.57","0.03","733.7","0.4","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","(5<i>RS</i>)-(<i>Z</i>)-4-[5-(Furan-2-yl)-3-phenyl-4,5-dihydro-1<i>H</i>-pyrazol-1-yl]-4-oxobut-2-enoic acid","","- C17 H14 N2 O4 -","- C17 H14 N2 O4 -","- C34 H28 N4 O8 -","2","1","XU5892","Borisova, Kseniya K.; Toze, Flavien A. A.; Yagafarov, Nniyaz Z.; Zubkov, Fedor I.; Dorovatovskii, Pavel V.; Zubavichus, Yan V.; Khrustalev, Victor N.","Crystal structures of (5<i>RS</i>)-(<i>Z</i>)-4-[5-(furan-2-yl)-3-phenyl-4,5-dihydro-1<i>H</i>-pyrazol-1-yl]-4-oxobut-2-enoic acid and (5<i>RS</i>)-(<i>Z</i>)-4-[5-(furan-2-yl)-3-(thiophen-2-yl)-4,5-dihydro-1<i>H</i>-pyrazol-1-yl]-4-oxobut-2-enoic acid","Acta Crystallographica Section E","2016","72","11","1557","1561","10.1107/S2056989016013992","","","0.9699","synchrotron","","0.0916","0.0754","","","0.1798","0.1989","","","","","","1.039","","","","has coordinates,has Fobs","187275","2020-10-21","18:00:00",""
"2241878","9.6702","0.0019","13.15","0.003","11.24","0.002","90","","98.29","0.03","90","","1414.4","0.5","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","(5<i>RS</i>)-(<i>Z</i>)-4-[5-(Furan-2-yl)-3-(thiophen-2-yl)-4,5-dihydro-1<i>H</i>-pyrazol-1-yl]-4-oxobut-2-enoic acid","","- C15 H12 N2 O4 S -","- C15 H12 N2 O4 S -","- C60 H48 N8 O16 S4 -","4","1","XU5892","Borisova, Kseniya K.; Toze, Flavien A. A.; Yagafarov, Nniyaz Z.; Zubkov, Fedor I.; Dorovatovskii, Pavel V.; Zubavichus, Yan V.; Khrustalev, Victor N.","Crystal structures of (5<i>RS</i>)-(<i>Z</i>)-4-[5-(furan-2-yl)-3-phenyl-4,5-dihydro-1<i>H</i>-pyrazol-1-yl]-4-oxobut-2-enoic acid and (5<i>RS</i>)-(<i>Z</i>)-4-[5-(furan-2-yl)-3-(thiophen-2-yl)-4,5-dihydro-1<i>H</i>-pyrazol-1-yl]-4-oxobut-2-enoic acid","Acta Crystallographica Section E","2016","72","11","1557","1561","10.1107/S2056989016013992","","","0.9699","synchrotron","","0.0496","0.0448","","","0.114","0.1185","","","","","","1.047","","","","has coordinates,has Fobs","187275","2020-10-21","18:00:00",""
"2241879","8.8337","0.0003","12.424","0.0004","12.9995","0.0004","94.357","0.001","99.607","0.001","107.27","0.001","1331.28","0.08","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","Bis(μ-4-nitrobenzoato-κ^2^<i>O</i>:<i>O</i>')bis[bis(4-methylpyridine-κ<i>N</i>)(4-nitrobenzoato-κ^2^<i>O</i>,<i>O</i>')manganese(II)]","","- C52 H44 Mn2 N8 O16 -","- C52 H44 Mn2 N8 O16 -","- C52 H44 Mn2 N8 O16 -","1","0.5","VN2116","Bharali, Sourav J.; Bora, Sanchay J.; Das, Birinchi K.","Crystal structure of bis(μ-4-nitrobenzoato-κ^2^<i>O</i>:<i>O</i>')bis[bis(4-methylpyridine-κ<i>N</i>)(4-nitrobenzoato-κ^2^<i>O</i>,<i>O</i>')manganese(II)]","Acta Crystallographica Section E","2016","72","11","1549","1553","10.1107/S2056989016015589","","","0.71073","MoKα","","0.0437","0.0358","","","0.1012","0.1095","","","","","","1.033","","","","has coordinates,has Fobs","187276","2020-10-21","18:00:00",""
"2241880","12.1179","0.0004","5.7243","0.0002","15.3275","0.0005","90","","94.881","0.003","90","","1059.36","0.06","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","2-Oxo-2<i>H</i>-chromen-3-yl propanoate","","- C12 H10 O4 -","- C12 H10 O4 -","- C48 H40 O16 -","4","1","","Ziki, Eric; Yoda, Jules; Djandé, Abdoulaye; Saba, Adama; Kakou-Yao, Rita","Crystal structure of 2-oxo-2<i>H</i>-chromen-3-yl propanoate","Acta Crystallographica Section E","2016","72","11","1562","1564","10.1107/S2056989016015279","","","1.54184","CuKα","","0.0442","0.0382","","","0.1101","0.1168","","","","","","1.062","","","","has coordinates,has Fobs","187277","2020-10-21","18:00:00",""
"2241881","11.723","0.015","12.967","0.016","16.06","0.02","108.302","0.013","98.665","0.012","103.284","0.013","2189","5","123","2","123","2","","","","","","","","7","P -1","-P 1","2","","Bis[μ-1,4-bis(diphenylphosphanyl)butane-κ^2^<i>P</i>:<i>P</i>']bis[(3,4,7,8-tetramethyl-1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')copper(I)] bis(hexafluoridophosphate) dichloromethane disolvate","","- C90 H92 Cl4 Cu2 F12 N4 P6 -","- C90 H92 Cl4 Cu2 F12 N4 P6 -","- C90 H92 Cl4 Cu2 F12 N4 P6 -","1","0.5","RZ5194","Nishikawa, Michihiro; Mutsuura, Kotaro; Tsubomura, Taro","Crystal structure of bis[μ-1,4-bis(diphenylphosphanyl)butane-κ^2^<i>P</i>:<i>P</i>']bis[(3,4,7,8-tetramethyl-1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')copper(I)] bis(hexafluoridophosphate) dichloromethane disolvate","Acta Crystallographica Section E","2016","72","11","1554","1556","10.1107/S2056989016015553","","","0.71073","MoKα","","","0.0717","","","","0.1688","","","","","","1.093","","","","has coordinates,has Fobs","187278","2020-10-21","18:00:00",""
"2241882","16.4048","0.0006","16.4048","0.0006","16.4048","0.0006","90","","90","","90","","4414.8","0.3","294","","294","","","","","","","","","5","F m -3 m","-F 4 2 3","225","","Henicosalanthanum octachromium alumimium hexagermanium dodecacarbide","","- C12 Al0.758 Cr7.556 Ge6.242 La21 -","- C12 Al0.758 Cr7.552 Ge6.242 La21 -","- C48 Al3.032 Cr30.208 Ge24.968 La84 -","4","0.0208333","PK2592","Pabla, Jaskarun; Janssen, Yuri; Simonson, Jack W.","Synthesis and crystal structure of La~21~Cr~8{-~2<i>a</i>}Al~<i>b~</i>Ge~7{-~<i>b</i>}C~12~ [<i>a</i> = 0.22(2) and <i>b</i> = 0.758(19)]","Acta Crystallographica Section E","2016","72","11","1565","1568","10.1107/S2056989016015668","","","0.71073","MoKα","","0.0127","0.0119","","","0.0447","0.0452","","","","","","1.91","","","","has coordinates,has Fobs","201219","2020-10-21","18:00:00",""
"2241883","10.197","0.0007","18.6174","0.0012","7.5136","0.0005","90","","90","","90","","1426.39","0.16","293","2","293","2","","","","","","","","5","P n a 21","P 2c -2n","33","","Methyl 1-allyl-4-methyl-1<i>H</i>-benzo[<i>c</i>][1,2]thiazine-3-carboxylate 2,2-dioxide","","- C14 H15 N O4 S -","- C14 H15 N O4 S -","- C56 H60 N4 O16 S4 -","4","1","","Azotla-Cruz, Liliana; Shishkina, Svitlana; Ukrainets, Igor; Lijanova, Irina; Likhanova, Natalya","Crystal structure of methyl 1-allyl-4-methyl-1<i>H</i>-benzo[<i>c</i>][1,2]thiazine-3-carboxylate 2,2-dioxide","Acta Crystallographica Section E","2016","72","11","1574","1576","10.1107/S2056989016015978","","","0.71073","MoKα","","0.0509","0.0437","","","0.1137","0.1195","","","","","","1.05","","","","has coordinates,has Fobs","187343","2020-10-21","18:00:00",""
"2241884","22.233","0.012","9.566","0.005","16.017","0.008","90","","123.78","0.03","90","","2831","3","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","Bis(2,9-dimethyl-1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')(peroxodisulfato-κ^2^<i>O</i>,<i>O</i>')cadmium(II)","","- C28 H24 Cd N4 O8 S2 -","- C28 H24 Cd N4 O8 S2 -","- C112 H96 Cd4 N16 O32 S8 -","4","0.5","RZ5195","Harvey, Miguel Angel; Suarez, Sebastián; Baggio, Ricardo","Three phenanthroline‒metal complexes with topologically similar but geometrically different conformations","Acta Crystallographica Section E","2016","72","11","1581","1586","10.1107/S2056989016016029","","","0.71073","MoKα","","0.0309","0.0273","","","0.0707","0.0728","","","","","","1.114","","","","has coordinates,has Fobs","187402","2020-10-21","18:00:00",""
"2241885","15.6244","0.0002","10.8803","0.0002","17.9446","0.0003","90","","90","","90","","3050.55","0.09","294","2","294","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","Bis(3,4,7,8-tetramethy-1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')(peroxodisulfato-κ^2^<i>O</i>,<i>O</i>')zinc(II)","","- C32 H32 N4 O8 S2 Zn -","- C32 H32 N4 O8 S2 Zn -","- C128 H128 N16 O32 S8 Zn4 -","4","0.5","RZ5195","Harvey, Miguel Angel; Suarez, Sebastián; Baggio, Ricardo","Three phenanthroline‒metal complexes with topologically similar but geometrically different conformations","Acta Crystallographica Section E","2016","72","11","1581","1586","10.1107/S2056989016016029","","","0.71073","MoKα","","0.0442","0.0332","","","0.0851","0.0923","","","","","","1.037","","","","has coordinates,has Fobs","187402","2020-10-21","18:00:00",""
"2241886","8.601","0.003","11.063","0.004","16.932","0.005","98.788","0.005","97.713","0.005","97.943","0.005","1557","0.9","294","2","294","2","","","","","","","","6","P -1","-P 1","2","","Bis(3,4,7,8-tetramethy-1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')(peroxodisulfato-κ^2^<i>O</i>,<i>O</i>')cadmium(II)","","- C32 H32 Cd N4 O8 S2 -","- C32 H32 Cd N4 O8 S2 -","- C64 H64 Cd2 N8 O16 S4 -","2","1","RZ5195","Harvey, Miguel Angel; Suarez, Sebastián; Baggio, Ricardo","Three phenanthroline‒metal complexes with topologically similar but geometrically different conformations","Acta Crystallographica Section E","2016","72","11","1581","1586","10.1107/S2056989016016029","","","0.71069","MoKα","","0.0451","0.0333","","","0.0659","0.0712","","","","","","1.071","","","","has coordinates,has Fobs","187402","2020-10-21","18:00:00",""
"2241887","14.2527","0.0008","4.7524","0.0003","17.6489","0.0011","90","","103.538","0.004","90","","1162.22","0.12","173","2","173","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","olivetolic acid","2,4-Dihydroxy-6-pentylbenzoic acid","","- C12 H16 O4 -","- C12 H16 O4 -","- C48 H64 O16 -","4","1","HB7614","Ismed, Friardi; Farhan, Aulia; Bakhtiar, Amri; Zaini, Erizal; Nugraha, Yuda Prasetya; Dwichandra Putra, Okky; Uekusa, Hidehiro","Crystal structure of olivetolic acid: a natural product from <i>Cetrelia sanguinea</i> (Schaer.)","Acta Crystallographica Section E","2016","72","11","1587","1589","10.1107/S2056989016016273","","","1.54186","CuKα","","0.0497","0.0446","","","0.1293","0.1359","","","","","","1.135","","","","has coordinates,has Fobs","211332","2020-10-21","18:00:00",""
"2241888","6.6731","0.0004","9.8806","0.0006","21.4108","0.001","83.992","0.004","82.81","0.004","87.508","0.005","1392.25","0.14","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","(<i>E</i>)-[Diazene-1,2-diylbis(3,1-phenylene)]bis(dimethylsilanol)","","- C16 H22 N2 O2 Si2 -","- C16 H22 N2 O2 Si2 -","- C48 H66 N6 O6 Si6 -","3","1.5","WM5327","Strüben, Jan; Hoffmann, Jonas; Presa-Soto, David; Näther, Christian; Staubitz, Anne","Crystal structures of 3,3'-bis(hydroxydimethylsilanyl)azobenzene and 4,4'-bis(hydroxydimethylsilane)azobenzene","Acta Crystallographica Section E","2016","72","11","1590","1594","10.1107/S2056989016016297","","","0.71073","MoKα","","0.0758","0.0503","","","0.1139","0.1262","","","","","","1.034","","","","has coordinates,has Fobs","187404","2020-10-21","18:00:00",""
"2241889","17.8705","0.0004","10.0016","0.0003","20.5323","0.0005","90","","97.013","0.002","90","","3642.36","0.16","200","2","200","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","(<i>E</i>)-[Diazene-1,2-diylbis(4,1-phenylene)]bis(dimethylsilanol)","","- C16 H22 N2 O2 Si2 -","- C16 H22 N2 O2 Si2 -","- C128 H176 N16 O16 Si16 -","8","2","WM5327","Strüben, Jan; Hoffmann, Jonas; Presa-Soto, David; Näther, Christian; Staubitz, Anne","Crystal structures of 3,3'-bis(hydroxydimethylsilanyl)azobenzene and 4,4'-bis(hydroxydimethylsilane)azobenzene","Acta Crystallographica Section E","2016","72","11","1590","1594","10.1107/S2056989016016297","","","0.71073","MoKα","","0.0463","0.0374","","","0.0917","0.0958","","","","","","1.042","","","","has coordinates,has Fobs","187404","2020-10-21","18:00:00",""
"2241890","9.0947","0.0002","31.0133","0.0006","7.1934","0.0001","90","","90","","90","","2028.95","0.07","173","2","173","2","","","","","","","","6","P n a 21","P 2c -2n","33","","<i>catena</i>-Poly[[(<i>N</i>,<i>N</i>-diethyl-3-mesitylsulfonyl-1<i>H</i>-1,2,4-triazole-1-carboxamide-κ<i>N</i>^1^)silver(I)]-μ-nitrato-κ^3^<i>O</i>,<i>O</i>':<i>O</i>]","","- C16 H22 Ag N5 O6 S -","- C16 H22 Ag N5 O6 S -","- C64 H88 Ag4 N20 O24 S4 -","4","1","","Park, Hyunjin; Kwon, Eunjin; Yoon, Il; Kim, Jineun","Crystal structure of <i>catena</i>-poly[[(<i>N</i>,<i>N</i>-diethyl-3-mesitylsulfonyl-1<i>H</i>-1,2,4-triazole-1-carboxamide-κ<i>N</i>^1^)silver(I)]-μ-nitrato-κ^3^<i>O</i>,<i>O</i>':<i>O</i>]","Acta Crystallographica Section E","2016","72","11","1610","1613","10.1107/S2056989016016662","","","0.71073","MoKα","","0.0345","0.0295","","","0.0515","0.0533","","","","","","0.983","","","","has coordinates,has Fobs","187489","2020-10-21","18:00:00",""
"2241891","12.816","0.005","6.371","0.003","10.439","0.004","90","","90","","90","","852.4","0.6","215","2","215","2","","","","","","","","5","P n a 21","P 2c -2n","33","","<i>N</i>,<i>N</i>,<i>N</i>-Triethylhydroxylammonium chloride","","- C6 H16 Cl N O -","- C6 H16 Cl N O -","- C24 H64 Cl4 N4 O4 -","4","1","HB7617","Averkiev, Boris B.; Valencia, Bianca C.; Getmanenko, Yulia A.; Timofeeva, Tatiana V.","Crystal structure of <i>N</i>,<i>N</i>,<i>N</i>-triethylhydroxylammonium chloride","Acta Crystallographica Section E","2016","72","11","1607","1609","10.1107/S2056989016016169","","","0.71073","MoKα","","0.0209","0.0206","","","0.056","0.0563","","","","","","1.039","","","","has coordinates,has Fobs","187490","2020-10-21","18:00:00",""
"2241892","11.3275","0.0006","13.9365","0.0007","17.6082","0.0009","90","","99.028","0.001","90","","2745.3","0.2","100.15","","100.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","di[(μ-bromo)(η^5^-2-dimethylaminoindenyl)dibromozirconium(IV)]","Di-μ-bromido-bis{dibromido[η^5^-2-(dimethylamino)indenyl]zirconium(IV)}","","- C22 H24 Br6 N2 Zr2 -","- C22 H24 Br6 N2 Zr2 -","- C88 H96 Br24 N8 Zr8 -","4","1","","Medvedev, Michael G.; Borisov, Ilya S.; Kulyabin, Pavel S.; Izmer, Vyatcheslav V.; Kononovich, Dmitry S.; Uborsky, Dmitry V.; Voskoboynikov, Alexander Z.","Crystal structures of di-μ-bromido-bis{dibromido[η^5^-2-(dimethylamino)indenyl]zirconium(IV)} and dibromidobis[η^5^-2-(dimethylamino)indenyl]zirconium(IV)","Acta Crystallographica Section E","2016","72","11","1599","1602","10.1107/S2056989016016595","","","0.71073","MoKα","","0.0473","0.0327","","","0.0696","0.075","","","","","","1.039","","","","has coordinates","187491","2020-10-21","18:00:00",""
"2241893","18.4476","0.0005","8.3497","0.0002","14.3737","0.0004","90","","111.854","0.001","90","","2054.9","0.09","100","","100","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","bis(η^5^-2-dimethylaminoindenyl)dibromozirconium(IV)","Dibromidobis[η^5^-2-(dimethylamino)indenyl]zirconium(IV)#","","- C22 H24 Br2 N2 Zr -","- C22 H24 Br2 N2 Zr -","- C88 H96 Br8 N8 Zr4 -","4","0.5","","Medvedev, Michael G.; Borisov, Ilya S.; Kulyabin, Pavel S.; Izmer, Vyatcheslav V.; Kononovich, Dmitry S.; Uborsky, Dmitry V.; Voskoboynikov, Alexander Z.","Crystal structures of di-μ-bromido-bis{dibromido[η^5^-2-(dimethylamino)indenyl]zirconium(IV)} and dibromidobis[η^5^-2-(dimethylamino)indenyl]zirconium(IV)","Acta Crystallographica Section E","2016","72","11","1599","1602","10.1107/S2056989016016595","","","0.71073","MoKα","","0.0161","0.015","","","0.0382","0.0386","","","","","","1.072","","","","has coordinates","187491","2020-10-21","18:00:00",""
"2241894","23.9836","0.0019","7.3271","0.0006","22.6809","0.0017","90","","94.4257","0.0014","90","","3973.8","0.5","100","2","100","2","","","","","","","","5","C 1 c 1","C -2yc","9","","<i>catena</i>-Poly[bis(tetraethylammonium) [tetraaquatris(μ-dicyanamido-κ^2^<i>N</i>^1^:<i>N</i>^5^)bis(dicyanamido-κ<i>N</i>^1^)dicobaltate(II)] dicyanamide]","","- C28 H48 Co2 N20 O4 -","- C28 H48 Co2 N20 O4 -","- C112 H192 Co8 N80 O16 -","4","1","WM5330","Liu, Chen; Thuijs, Annaliese E.; Abboud, Khalil A.","Crystal structure of <i>catena</i>-poly[bis(tetraethylammonium) [tetraaquatris(μ-dicyanamido-κ^2^<i>N</i>^1^:<i>N</i>^5^)bis(dicyanamido-κ<i>N</i>^1^)dicobaltate(II)] dicyanamide]","Acta Crystallographica Section E","2016","72","11","1603","1606","10.1107/S2056989016016637","","","0.71073","MoKα","","0.0311","0.0279","","","0.0693","0.0704","","","","","","1.021","","","","has coordinates,has disorder,has Fobs","187492","2020-10-21","18:00:00",""
"2241895","36.03","0.002","24.2248","0.0016","10.1301","0.0006","90","","90","","90","","8841.7","0.9","295","2","295","2","","","","","","","","4","F d d 2","F 2 -2d","43","","2'-Benzoyl-1'-(4-methylphenyl)-1,1',2,2',5',6',7',7a'-octahydrospiro[indole-3,3'-pyrrolizin]-2-one","","- C28 H26 N2 O2 -","- C28 H26 N2 O2 -","- C448 H416 N32 O32 -","16","1","","Chandrarekha, M.; Srinivasan, N.; Kottala Vijaya, P.; Siva, A.; Krishnakumar, R. V.","Crystal structures of 2'-benzoyl-1'-(4-methylphenyl)-1,1',2,2',5',6',7',7a'-octahydrospiro[indole-3,3'-pyrrolizin]-2-one and 2'-(4-bromobenzoyl)-1'-(2-chlorophenyl)-1,1',2,2',5',6',7',7a'-octahydrospiro[indole-3,3'-pyrrolizin]-2-one","Acta Crystallographica Section E","2016","72","11","1637","1641","10.1107/S2056989016016741","","","0.71073","MoKα","","0.0701","0.0413","","","0.0967","0.1126","","","","","","0.984","","","","has coordinates","187561","2020-10-21","18:00:00",""
"2241896","10.728","0.0004","9.7793","0.0004","22.6746","0.0009","90","","98.972","0.001","90","","2349.74","0.16","295","2","295","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","2'-(4-Bromobenzoyl)-1'-(2-chlorophenyl)-1,1',2,2',5',6',7',7a'-octahydrospiro[indole-3,3'-pyrrolizin]-2-one","","- C27 H22 Br Cl N2 O2 -","- C27 H22 Br Cl N2 O2 -","- C108 H88 Br4 Cl4 N8 O8 -","4","1","","Chandrarekha, M.; Srinivasan, N.; Kottala Vijaya, P.; Siva, A.; Krishnakumar, R. V.","Crystal structures of 2'-benzoyl-1'-(4-methylphenyl)-1,1',2,2',5',6',7',7a'-octahydrospiro[indole-3,3'-pyrrolizin]-2-one and 2'-(4-bromobenzoyl)-1'-(2-chlorophenyl)-1,1',2,2',5',6',7',7a'-octahydrospiro[indole-3,3'-pyrrolizin]-2-one","Acta Crystallographica Section E","2016","72","11","1637","1641","10.1107/S2056989016016741","","","0.71073","MoKα","","0.0635","0.0387","","","0.0957","0.1061","","","","","","1.032","","","","has coordinates","187561","2020-10-21","18:00:00",""
"2241897","19.464","0.002","5.9444","0.0007","17.2225","0.0019","90","","121.557","0.007","90","","1698","0.3","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","1,2-Bis(6-bromo-3,4-dihydro-2<i>H</i>-benz[<i>e</i>][1,3]oxazin-3-yl)ethane","","- C18 H18 Br2 N2 O2 -","- C18 H18 Br2 N2 O2 -","- C72 H72 Br8 N8 O8 -","4","0.5","SJ5510","Rivera, Augusto; Rojas, Jicli José'; Ríos-Motta, Jaime; Bolte, Michael","Crystal structure of 1,2-bis(6-bromo-3,4-dihydro-2<i>H</i>-benz[<i>e</i>][1,3]oxazin-3-yl)ethane: a bromine-containing bis-benzoxazine","Acta Crystallographica Section E","2016","72","11","1645","1647","10.1107/S2056989016016509","","","0.71073","MoKα","","0.0626","0.0563","","","0.1386","0.1428","","","","","","1.065","","","","has coordinates,has Fobs","187562","2020-10-21","18:00:00",""
"2241898","6.1768","0.0003","5.4349","0.0003","28.7651","0.0016","90","","98.14","0.004","90","","955.92","0.09","293","2","293","2","","","","","","","","5","I 1 2 1","I 2y","5","","1-Carboxy-2-(3,4-dihydroxyphenyl)ethan-1-aminium chloride 2-ammonio-3-(3,4-dihydroxyphenyl)propanoate","","- C18 H23 Cl N2 O8 -","- C18 H23 Cl N2 O8 -","- C36 H46 Cl2 N4 O16 -","2","0.5","SU5331","Kathiravan, Perumal; Balakrishnan, Thangavelu; Venkatesan, Perumal; Ramamurthi, Kandasamy; Percino, María Judith; Thamotharan, Subbiah","Crystal structure and Hirshfeld surface analysis of 1-carboxy-2-(3,4-dihydroxyphenyl)ethan-1-aminium chloride 2-ammonio-3-(3,4-dihydroxyphenyl)propanoate: a new polymorph of <small>L</small>-dopa HCl and isotypic with its bromide counterpart","Acta Crystallographica Section E","2016","72","11","1628","1632","10.1107/S2056989016016789","","","0.71073","MoKα","","0.0442","0.0348","","","0.088","0.0936","","","","","","1.049","","","","has coordinates,has Fobs","187563","2020-10-21","18:00:00",""
"2241899","17.161","0.003","7.2169","0.0014","11.678","0.002","90","","90","","90","","1446.3","0.5","293","2","293","2","","","","","","","","7","P n m a","-P 2ac 2n","62","","9-(Dibromomethyl)-1,1-difluoro-3,7-dimethyl-1<i>H</i>-[1,3,5,2]oxadiazaborinino[3,4-<i>a</i>][1,8]naphthyridin-11-ium-1-uide","","- C12 H10 B Br2 F2 N3 O -","- C12 H10 B Br2 F2 N3 O -","- C48 H40 B4 Br8 F8 N12 O4 -","4","0.5","WM5325","Wang, Bang Zhong; Zhou, Jun Ping; Zhou, Yong; Luo, Jian Song; Chi, Shao Ming","Crystal structure of 9-(dibromomethyl)-1,1-difluoro-3,7-dimethyl-1<i>H</i>-[1,3,5,2]oxadiazaborinino[3,4-<i>a</i>][1,8]naphthyridin-11-ium-1-uide","Acta Crystallographica Section E","2016","72","11","1642","1644","10.1107/S2056989016016704","","","0.71073","MoKα","","0.122","0.0535","","","0.0985","0.1196","","","","","","0.954","","","","has coordinates,has Fobs","187564","2020-10-21","18:00:00",""
"2241900","9.5317","0.0002","15.8217","0.0005","16.298","0.0005","85.926","0.002","77.418","0.002","83.003","0.002","2378.46","0.12","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","2-{[2,8-Bis(trifluoromethyl)quinolin-4-yl](hydroxy)methyl}piperidin-1-ium 2-hydroxy-2-phenylacetate hemihydrate","","- C50 H50 F12 N4 O9 -","- C50 H50 F12 N4 O9 -","- C100 H100 F24 N8 O18 -","2","1","HB7620","Wardell, James L.; Jotani, Mukesh M.; Tiekink, Edward R. T.","Crystal structure and Hirshfeld surface analysis of 2-{[2,8-bis(trifluoromethyl)quinolin-4-yl](hydroxy)methyl}piperidin-1-ium 2-hydroxy-2-phenylacetate hemihydrate","Acta Crystallographica Section E","2016","72","11","1618","1627","10.1107/S2056989016016492","","","0.71073","MoKα","","0.1274","0.077","","","0.1844","0.2141","","","","","","1.017","","","","has coordinates,has disorder,has Fobs","187567","2020-10-21","18:00:00",""
"2241901","14.4357","0.0009","14.4357","0.0009","6.0404","0.0005","90","","90","","120","","1090.11","0.13","123","2","123","2","","","","","","","","3","P 31","P 31","144","","2,4-Di-<i>tert</i>-butyl-6-(hydroxymethyl)phenol","","- C15 H24 O2 -","- C15 H24 O2 -","- C45 H72 O6 -","3","1","LH5825","Aranburu Leiva, Ane I.; Benjamin, Sophie L.; Langley, Stuart K.; Mewis, Ryan E.","Crystal structure of 2,4-di-<i>tert</i>-butyl-6-(hydroxymethyl)phenol","Acta Crystallographica Section E","2016","72","11","1614","1617","10.1107/S2056989016016753","","","0.71073","MoKα","","0.0455","0.0416","","","0.0877","0.0893","","","","","","1.082","","","","has coordinates,has Fobs","187568","2020-10-21","18:00:00",""
"2241902","5.9495","0.0003","27.6927","0.0008","11.9402","0.0005","90","","92.585","0.003","90","","1965.24","0.14","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","1,3,6,8-Tetraazatricyclo[4.3.1.1^3,8^]undecane‒4-chlorophenol (1/2)","","- C19 H24 Cl2 N4 O2 -","- C19 H24 Cl2 N4 O2 -","- C76 H96 Cl8 N16 O8 -","4","1","SJ5511","Rivera, Augusto; Rojas, Jicli José; Osorio, Héctor Jairo; Ríos-Motta, Jaime; Bolte, Michael","Crystal structure of the 1:2 co-crystal of 1,3,6,8-tetraazatricyclo[4.3.1.1^3,8^]undecane (TATU) and 4-chlorophenol (1/2)","Acta Crystallographica Section E","2016","72","11","1648","1650","10.1107/S2056989016016546","","","0.71073","MoKα","","0.0415","0.0402","","","0.1079","0.1091","","","","","","1.089","","","","has coordinates,has Fobs","187569","2020-10-21","18:00:00",""
"2241903","16.3875","0.0002","16.6136","0.0002","14.7959","0.0002","90","","90.654","0.001","90","","4028","0.09","110","2","110","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","Poly[[bis(μ~2~-4,4'-bipyridine)(μ~2~-hexafluoridosilicato)copper(II)] 4,4'-bipyridine disolvate pentahydrate]","","- C40 H42 Cu F6 N8 O5 Si -","- C40 H42 Cu F6 N8 O5 Si -","- C160 H168 Cu4 F24 N32 O20 Si4 -","4","1","VN2118","Aubert, Emmanuel; Doudouh, Abdelatif; Peluso, Paola; Mamane, Victor","Channels with ordered water and bipyridine molecules in the porous coordination polymer {[Cu(SiF~6~)(C~10~H~8~N~2~)~2~]·2C~10~N~2~H~8~·5H~2~O}~<i>n~</i>","Acta Crystallographica Section E","2016","72","11","1654","1658","10.1107/S2056989016016686","","","1.54184","CuKα","","0.038","0.0356","","","0.1051","0.11","","","","","","1.062","","","","has coordinates,has Fobs","187570","2020-10-21","18:00:00",""
"2241904","13.9545","0.0008","6.7004","0.0004","19.5031","0.0011","90","","96.424","0.001","90","","1812.1","0.18","130","2","130","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Di-μ-chlorido-bis[chloridobis(1,2-dimethyl-5-nitro-1<i>H</i>-imidazole-κ<i>N</i>^3^)copper(II)] acetonitrile disolvate","","- C24 H34 Cl4 Cu2 N14 O8 -","- C20 H28 Cl4 Cu2 N12 O8 -","- C40 H56 Cl8 Cu4 N24 O16 -","2","0.5","LH5820","Quinlivan, Patrick J.; Upmacis, Rita K.","Crystal structure of di-μ-chlorido-bis[chloridobis(1,2-dimethyl-5-nitro-1<i>H</i>-imidazole-κ<i>N</i>^3^)copper(II)] acetonitrile disolvate","Acta Crystallographica Section E","2016","72","11","1633","1636","10.1107/S2056989016015413","","","0.71073","MoKα","","0.0264","0.0236","","","0.0697","0.0709","","","","","","1.26","","","","has coordinates,has Fobs","187571","2020-10-21","18:00:00",""
"2241905","14.517","0.0008","7.6178","0.0004","22.1756","0.0011","90","","101.824","0.004","90","","2400.3","0.2","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","1,3,6,8-Tetraazatricyclo[4.3.1.1^3,8^]undecane‒4-chloro-3,5-dimethylphenol (1/2)","","- C23 H32 Cl2 N4 O2 -","- C23 H32 Cl2 N4 O2 -","- C92 H128 Cl8 N16 O8 -","4","1","SJ5512","Rivera, Augusto; Rojas, Jicli José; Sadat-Bernal, John; Ríos-Motta, Jaime; Bolte, Michael","Mechanochemical synthesis and crystal structure of a 1:2 co-crystal of 1,3,6,8-tetraazatricyclo[4.3.1.1^3,8^]undecane (TATU) and 4-chloro-3,5-dimethylphenol","Acta Crystallographica Section E","2016","72","11","1651","1653","10.1107/S2056989016016650","","","0.71073","MoKα","","0.0595","0.042","","","0.0936","0.0998","","","","","","1.034","","","","has coordinates,has Fobs","187572","2020-10-21","18:00:00",""
"2241906","11.259","0.004","7.2693","0.0017","14.758","0.004","90","","105.706","0.015","90","","1162.8","0.6","93","1","93","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","4-Methoxybenzoic acid‒(<i>E</i>)-1,2-di(pyridin-4-yl)ethene (2/1)","","- C28 H26 N2 O6 -","- C28 H26 N2 O6 -","- C56 H52 N4 O12 -","2","0.5","","Tabuchi, Yohei; Gotoh, Kazuma; Ishida, Hiroyuki","Crystal structures of four co-crystals of (<i>E</i>)-1,2-di(pyridin-4-yl)ethene with 4-alkoxybenzoic acids: 4-methoxybenzoic acid‒(<i>E</i>)-1,2-di(pyridin-4-yl)ethene (2/1), 4-ethoxybenzoic acid‒(<i>E</i>)-1,2-di(pyridin-4-yl)ethene (2/1), 4-<i>n</i>-propoxybenzoic acid‒(<i>E</i>)-1,2-di(pyridin-4-yl)ethene (2/1) and 4-<i>n</i>-butoxybenzoic acid‒(<i>E</i>)-1,2-di(pyridin-4-yl)ethene (2/1)","Acta Crystallographica Section E","2016","72","11","1666","1671","10.1107/S2056989016017138","","","0.71075","MoKα","","0.0393","0.0365","","","0.097","0.0991","","","","","","1.101","","","","has coordinates,has Fobs","187659","2020-10-21","18:00:00",""
"2241907","10.873","0.003","11.197","0.004","12.921","0.004","82.399","0.013","66.241","0.01","62.207","0.011","1270.6","0.7","93","1","93","2","","","","","","","","4","P -1","-P 1","2","","4-Ethoxybenzoic acid‒(<i>E</i>)-1,2-di(pyridin-4-yl)ethene (2/1)","","- C30 H30 N2 O6 -","- C30 H30 N2 O6 -","- C60 H60 N4 O12 -","2","1","","Tabuchi, Yohei; Gotoh, Kazuma; Ishida, Hiroyuki","Crystal structures of four co-crystals of (<i>E</i>)-1,2-di(pyridin-4-yl)ethene with 4-alkoxybenzoic acids: 4-methoxybenzoic acid‒(<i>E</i>)-1,2-di(pyridin-4-yl)ethene (2/1), 4-ethoxybenzoic acid‒(<i>E</i>)-1,2-di(pyridin-4-yl)ethene (2/1), 4-<i>n</i>-propoxybenzoic acid‒(<i>E</i>)-1,2-di(pyridin-4-yl)ethene (2/1) and 4-<i>n</i>-butoxybenzoic acid‒(<i>E</i>)-1,2-di(pyridin-4-yl)ethene (2/1)","Acta Crystallographica Section E","2016","72","11","1666","1671","10.1107/S2056989016017138","","","0.71075","MoKα","","0.042","0.038","","","0.1066","0.1094","","","","","","1.085","","","","has coordinates,has Fobs","187659","2020-10-21","18:00:00",""
"2241908","11.1192","0.0018","10.8289","0.0013","23.02","0.003","90","","93.517","0.008","90","","2766.6","0.7","93","1","93","2","","","","","","","","4","P 1 c 1","P -2yc","7","","4-<i>n</i>-Propoxybenzoic acid‒(<i>E</i>)-1,2-di(pyridin-4-yl)ethene (2/1)","","- C32 H34 N2 O6 -","- C32 H34 N2 O6 -","- C128 H136 N8 O24 -","4","2","","Tabuchi, Yohei; Gotoh, Kazuma; Ishida, Hiroyuki","Crystal structures of four co-crystals of (<i>E</i>)-1,2-di(pyridin-4-yl)ethene with 4-alkoxybenzoic acids: 4-methoxybenzoic acid‒(<i>E</i>)-1,2-di(pyridin-4-yl)ethene (2/1), 4-ethoxybenzoic acid‒(<i>E</i>)-1,2-di(pyridin-4-yl)ethene (2/1), 4-<i>n</i>-propoxybenzoic acid‒(<i>E</i>)-1,2-di(pyridin-4-yl)ethene (2/1) and 4-<i>n</i>-butoxybenzoic acid‒(<i>E</i>)-1,2-di(pyridin-4-yl)ethene (2/1)","Acta Crystallographica Section E","2016","72","11","1666","1671","10.1107/S2056989016017138","","","0.71075","MoKα","","0.033","0.0321","","","0.0791","0.0795","","","","","","1.063","","","","has coordinates,has Fobs","187659","2020-10-21","18:00:00",""
"2241909","7.103","0.004","9.06","0.005","11.627","0.007","82.29","0.02","78.54","0.03","86.79","0.03","726.4","0.7","93","2","93","","","","","","","","","4","P -1","-P 1","2","","4-<i>n</i>-Butoxybenzoic acid‒(<i>E</i>)-1,2-di(pyridin-4-yl)ethene (2/1)","","- C34 H38 N2 O6 -","- C34 H38 N2 O6 -","- C34 H38 N2 O6 -","1","0.5","","Tabuchi, Yohei; Gotoh, Kazuma; Ishida, Hiroyuki","Crystal structures of four co-crystals of (<i>E</i>)-1,2-di(pyridin-4-yl)ethene with 4-alkoxybenzoic acids: 4-methoxybenzoic acid‒(<i>E</i>)-1,2-di(pyridin-4-yl)ethene (2/1), 4-ethoxybenzoic acid‒(<i>E</i>)-1,2-di(pyridin-4-yl)ethene (2/1), 4-<i>n</i>-propoxybenzoic acid‒(<i>E</i>)-1,2-di(pyridin-4-yl)ethene (2/1) and 4-<i>n</i>-butoxybenzoic acid‒(<i>E</i>)-1,2-di(pyridin-4-yl)ethene (2/1)","Acta Crystallographica Section E","2016","72","11","1666","1671","10.1107/S2056989016017138","","","0.71075","MoKα","","0.0441","0.0406","","","0.1151","0.1182","","","","","","1.079","","","","has coordinates,has Fobs","187659","2020-10-21","18:00:00",""
"2241910","8.6557","0.0006","12.1432","0.0008","12.5842","0.0009","61.396","0.001","74.216","0.001","75.411","0.001","1105.83","0.13","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","Poly[dichlorido(μ-2,5-dicarboxybenzene-1,4-dicarboxylato-κ^2^<i>O</i>^1^:<i>O</i>^4^)bis[μ-4'-(pyridin-3-yl)-4,2':6',4''-terpyridine-κ^2^<i>N</i>^1^:<i>N</i>^4'^]dizinc]","","- C25 H16 Cl N4 O4 Zn -","- C25 H16 Cl N4 O4 Zn -","- C50 H32 Cl2 N8 O8 Zn2 -","2","1","XU5893","Tian, Yue; Xu, Sha-Sha; Su, Jian; Zhang, Yang; Zhao, Shao-Shuai; Tian, Yu-Peng","Crystal structure of poly[dichlorido(μ-2,5-dicarboxybenzene-1,4-dicarboxylato-κ^2^<i>O</i>^1^:<i>O</i>^4^)bis[μ-4'-(pyridin-3-yl)-4,2':6',4''-terpyridine-κ^2^<i>N</i>^1^:<i>N</i>^4'^]dizinc]","Acta Crystallographica Section E","2016","72","11","1663","1665","10.1107/S2056989016016285","","","0.71073","MoKα","","0.0336","0.0287","","","0.0772","0.0797","","","","","","1.067","","","","has coordinates,has Fobs","187660","2020-10-21","18:00:00",""
"2241911","9.2854","0.0002","7.59144","0.00018","19.4452","0.0005","90","","102.818","0.003","90","","1336.53","0.06","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","5-Butylamino-3-methyl-1-(pyridin-2-yl)-1<i>H</i>-pyrazole-4-carbaldehyde","","- C14 H18 N4 O -","- C14 H18 N4 O -","- C56 H72 N16 O4 -","4","1","BG2597","Macías, Mario A.; Orrego-Hernández, Jessica; Portilla, Jaime","Crystal structure of 5-butylamino-3-methyl-1-(pyridin-2-yl)-1<i>H</i>-pyrazole-4-carbaldehyde obtained from a microwave-assisted reaction using caesium carbonate as catalyst","Acta Crystallographica Section E","2016","72","11","1672","1674","10.1107/S2056989016017187","","","0.71073","MoKα","","0.0428","0.0373","","","0.1068","0.1102","","","","","","1.046","","","","has coordinates,has Fobs","187661","2020-10-21","18:00:00",""
"2241912","11.53","0.007","10.938","0.006","13.013","0.007","90","","115.614","0.007","90","","1479.9","1.5","90","2","90","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1',3',3'-Trimethylspiro[chromene-2,2'-indoline]","","- C19 H19 N O -","- C19 H19 N O -","- C76 H76 N4 O4 -","4","1","HB7609","Beckett, Joseph O. S.; Olmstead, Marilyn M.; Fettinger, James C.; Gray, David A.; Manabe, Shuhei; Mascal, Mark","Crystal structure determination as part of an undergraduate laboratory experiment: 1',3',3'-trimethylspiro[chromene-2,2'-indoline] and 1',3',3'-trimethyl-4-[(<i>E</i>)-(1,3,3-trimethylindolin-2-ylidene)methyl]spiro[chroman-2,2'-indoline]","Acta Crystallographica Section E","2016","72","11","1659","1662","10.1107/S2056989016016042","","","0.71073","MoKα","","0.0674","0.0502","","","0.1202","0.1391","","","","","","1.054","","","","has coordinates,has Fobs","187662","2020-10-21","18:00:00",""
"2241913","14.1774","0.0011","11.6019","0.0009","16.2847","0.0017","90","","115.613","0.0012","90","","2415.4","0.4","90","2","90","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1',3',3'-Trimethyl-4-[(<i>E</i>)-(1,3,3-trimethylindolin-2-ylidene)methyl]spiro[chroman-2,2'-indoline]","","- C31 H34 N2 O -","- C31 H34 N2 O -","- C124 H136 N8 O4 -","4","1","","Beckett, Joseph O. S.; Olmstead, Marilyn M.; Fettinger, James C.; Gray, David A.; Manabe, Shuhei; Mascal, Mark","Crystal structure determination as part of an undergraduate laboratory experiment: 1',3',3'-trimethylspiro[chromene-2,2'-indoline] and 1',3',3'-trimethyl-4-[(<i>E</i>)-(1,3,3-trimethylindolin-2-ylidene)methyl]spiro[chroman-2,2'-indoline]","Acta Crystallographica Section E","2016","72","11","1659","1662","10.1107/S2056989016016042","","","0.71073","MoKα","","0.0553","0.046","","","0.1172","0.1239","","","","","","1.029","","","","has coordinates,has Fobs","187662","2020-10-21","18:00:00",""
"2241914","8.7709","0.0012","6.9476","0.0009","14.529","0.0017","90","","90.966","0.012","90","","885.2","0.2","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","3,5-lutidine N-oxide dihydrate","3,5-Dimethylpyridine <i>N</i>-oxide dihydrate","","- C7 H13 N O3 -","- C7 H13 N O3 -","- C28 H52 N4 O12 -","4","1","HB7624","Merino García, Rosario; Ríos-Merino, Francisco Javier; Bernès, Sylvain; Reyes-Ortega, Yasmi","Crystal structure of 3,5-dimethylpyridine <i>N</i>-oxide dihydrate","Acta Crystallographica Section E","2016","72","12","1687","1690","10.1107/S205698901601687X","","","0.71073","MoKα","","0.0959","0.0467","","","0.1113","0.1405","","","","","","1.016","","","","has coordinates,has disorder,has Fobs","187743","2020-10-21","18:00:00",""
"2241915","11.2593","0.0005","7.5563","0.0002","13.0437","0.0006","90","","96.716","0.002","90","","1102.13","0.08","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Dimethylazanium 2-amino-4-nitrobenzoate","","- C9 H13 N3 O4 -","- C9 H13 N3 O4 -","- C36 H52 N12 O16 -","4","1","HB7627","Wardell, James L.; Jotani, Mukesh M.; Tiekink, Edward R. T.","Two dialkylammonium salts of 2-amino-4-nitrobenzoic acid: crystal structures and Hirshfeld surface analysis","Acta Crystallographica Section E","2016","72","12","1691","1699","10.1107/S2056989016017266","","","0.71073","MoKα","","0.061","0.043","","","0.1126","0.1246","","","","","","1.012","","","","has coordinates,has Fobs","187744","2020-10-21","18:00:00",""
"2241916","11.1615","0.0003","12.5172","0.0004","13.2399","0.0004","82.405","0.001","78.107","0.002","70.915","0.002","1706.36","0.09","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","Dibutylazanium 2-amino-4-nitrobenzoate","","- C15 H25 N3 O4 -","- C15 H25 N3 O4 -","- C60 H100 N12 O16 -","4","2","HB7627","Wardell, James L.; Jotani, Mukesh M.; Tiekink, Edward R. T.","Two dialkylammonium salts of 2-amino-4-nitrobenzoic acid: crystal structures and Hirshfeld surface analysis","Acta Crystallographica Section E","2016","72","12","1691","1699","10.1107/S2056989016017266","","","0.71073","MoKα","","0.1058","0.0619","","","0.1561","0.1804","","","","","","1.025","","","","has coordinates,has Fobs","187744","2020-10-21","18:00:00",""
"2241917","13.4014","0.0005","21.8127","0.001","18.2427","0.0006","90","","100.539","0.004","90","","5242.8","0.4","100","","100","","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","Aquatris{μ-<i>N</i>-[bis(diethylamino)phosphoryl]-2,2,2-trichloroacetamidato-κ^3^<i>O</i>,<i>O</i>':<i>O</i>}calciumsodium","","- C30 H62 Ca Cl9 N9 Na O7 P3 -","- C30 H62 Ca Cl9 N9 Na O7 P3 -","- C120 H248 Ca4 Cl36 N36 Na4 O28 P12 -","4","1","BG2595","Shatrava, Iuliia; Gubina, Kateryna; Ovchynnikov, Vladimir; Dyakonenko, Viktoriya; Amirkhanov, Vladimir","Crystal structure of aquatris{μ-<i>N</i>-[bis(diethylamino)phosphoryl]-2,2,2-trichloroacetamidato-κ^3^<i>O</i>,<i>O</i>':<i>O</i>}calciumsodium","Acta Crystallographica Section E","2016","72","12","1683","1686","10.1107/S2056989016017035","","","0.71073","MoKα","","0.118","0.0633","","","0.1094","0.1307","","","","","","1.053","","","","has coordinates,has Fobs","187745","2020-10-21","18:00:00",""
"2241918","15.7497","0.0002","7.7375","0.0001","18.8126","0.0002","90","","90","","90","","2292.57","0.05","123","2","123","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","Pentaamine dioxido uranium(V) nitrate ammoniate","Pentaammine dioxide uranium(V) nitrate ammonia monosolvate","","- H18 N7 O5 U -","- H18 N7 O5 U -","- H144 N56 O40 U8 -","8","1","WM5331","Woidy, Patrick; Kraus, Florian","Crystal structure of [UO~2~(NH~3~)~5~]NO~3~·NH~3~","Acta Crystallographica Section E","2016","72","12","1710","1713","10.1107/S2056989016016480","","","0.71073","MoKα","","0.0531","0.0329","","","0.0845","0.0895","","","","","","1.043","","","","has coordinates,has Fobs","187746","2020-10-21","18:00:00",""
"2241919","9.572","0.004","7.533","0.004","13.095","0.009","90","","103.06","0.04","90","","919.8","0.9","100","","100","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","7-Iodo-4-oxo-4<i>H</i>-chromene-3-carbaldehyde","","- C10 H5 I O3 -","- C10 H5 I O3 -","- C40 H20 I4 O12 -","4","1","ZL2682","Ishikawa, Yoshinobu","Crystal structure of 7-iodo-4-oxo-4<i>H</i>-chromene-3-carbaldehyde","Acta Crystallographica Section E","2016","72","12","1724","1727","10.1107/S2056989016016972","","","0.71069","MoKα","","0.027","0.0208","","","0.0503","0.053","","","","","","1.062","","","","has coordinates,has Fobs","187829","2020-10-21","18:00:00",""
"2241920","8.3037","0.0002","14.3468","0.0003","18.4068","0.0005","70.594","0.001","78.139","0.001","85.356","0.001","2023.9","0.09","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","12-Ethyl-7-phenylsulfonyl-7<i>H</i>-benzofuro[2,3-b]carbazole","","- C26 H19 N O3 S -","- C26 H19 N O3 S -","- C104 H76 N4 O12 S4 -","4","2","SU5330","Gangadharan, Rajeswari; Narayanan, P.; Sethusankar, K.; Saravanan, Velu; Mohanakrishnan, Arasambattu K.","Crystal structures of three carbazole derivatives: 12-ethyl-7-phenylsulfonyl-7<i>H</i>-benzofuro[2,3-<i>b</i>]carbazole, (1), 2-(4,5-dimethoxy-2-nitrophenyl)-4-hydroxy-9-phenylsulfonyl-9<i>H</i>-carbazole-3-carbaldehyde, (2), and 12-phenyl-7-phenylsulfonyl-7<i>H</i>-benzofuro[2,3-<i>b</i>]carbazole, (3)","Acta Crystallographica Section E","2016","72","12","1744","1750","10.1107/S2056989016016819","","","0.71073","MoKα","","0.0611","0.0455","","","0.1137","0.1247","","","","","","1.012","","","","has coordinates","187830","2020-10-21","18:00:00",""
"2241921","11.2133","0.0003","14.5811","0.0004","15.1509","0.0004","90","","102.32","0.001","90","","2420.16","0.11","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2-(4,5-Dimethoxy-2-nitrophenyl)-4-hydroxy-9-phenylsulfonyl-9<i>H</i>-carbazole-3-carbaldehyde","","- C27 H20 N2 O8 S -","- C27 H20 N2 O8 S -","- C108 H80 N8 O32 S4 -","4","1","SU5330","Gangadharan, Rajeswari; Narayanan, P.; Sethusankar, K.; Saravanan, Velu; Mohanakrishnan, Arasambattu K.","Crystal structures of three carbazole derivatives: 12-ethyl-7-phenylsulfonyl-7<i>H</i>-benzofuro[2,3-<i>b</i>]carbazole, (1), 2-(4,5-dimethoxy-2-nitrophenyl)-4-hydroxy-9-phenylsulfonyl-9<i>H</i>-carbazole-3-carbaldehyde, (2), and 12-phenyl-7-phenylsulfonyl-7<i>H</i>-benzofuro[2,3-<i>b</i>]carbazole, (3)","Acta Crystallographica Section E","2016","72","12","1744","1750","10.1107/S2056989016016819","","","0.71073","MoKα","","0.075","0.0469","","","0.1256","0.1504","","","","","","1.004","","","","has coordinates","187830","2020-10-21","18:00:00",""
"2241922","10.6461","0.001","11.8994","0.0011","18.2418","0.0016","90","","90","","90","","2310.9","0.4","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","12-Phenyl-7-phenylsulfonyl-7<i>H</i>-benzofuro[2,3-<i>b</i>]carbazole","","- C30 H19 N O3 S -","- C30 H19 N O3 S -","- C120 H76 N4 O12 S4 -","4","1","SU5330","Gangadharan, Rajeswari; Narayanan, P.; Sethusankar, K.; Saravanan, Velu; Mohanakrishnan, Arasambattu K.","Crystal structures of three carbazole derivatives: 12-ethyl-7-phenylsulfonyl-7<i>H</i>-benzofuro[2,3-<i>b</i>]carbazole, (1), 2-(4,5-dimethoxy-2-nitrophenyl)-4-hydroxy-9-phenylsulfonyl-9<i>H</i>-carbazole-3-carbaldehyde, (2), and 12-phenyl-7-phenylsulfonyl-7<i>H</i>-benzofuro[2,3-<i>b</i>]carbazole, (3)","Acta Crystallographica Section E","2016","72","12","1744","1750","10.1107/S2056989016016819","","","0.71073","MoKα","","0.0933","0.0424","","","0.0841","0.1011","","","","","","0.997","","","","has coordinates","187830","2020-10-21","18:00:00",""
"2241923","10.4637","0.0002","8.1942","0.0002","11.2797","0.0002","90","","107.812","0.001","90","","920.78","0.03","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","<i>N</i>,<i>N</i>'-Bis(pyridin-3-ylmethyl)cyclohexane-1,4-diammonium dichloride","","- C18 H26 Cl2 N4 -","- C18 H26 Cl2 N4 -","- C36 H52 Cl4 N8 -","2","0.5","","Moon, Suk-Hee; Im, Hansu; Kim, Tae Ho; Park, Ki-Min","Crystal structure of <i>N</i>,<i>N</i>'-bis(pyridin-3-ylmethyl)cyclohexane-1,4-diammonium dichloride","Acta Crystallographica Section E","2016","72","12","1728","1730","10.1107/S2056989016017205","","","0.71073","MoKα","","0.0328","0.0304","","","0.0812","0.0829","","","","","","1.03","","","","has coordinates,has Fobs","187831","2020-10-21","18:00:00",""
"2241924","15.3519","0.0006","9.4005","0.0004","9.9702","0.0004","90","","106.954","0.001","90","","1376.32","0.1","296","","296","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","7-Hydroxy-8-[(4-methylpiperazin-1-yl)methyl]-2<i>H</i>-chromen-2-one","","- C15 H18 N2 O3 -","- C15 H18 N2 O3 -","- C60 H72 N8 O12 -","4","1","IS5461","Kubono, Koji; Kise, Ryuma; Kashiwagi, Yukiyasu; Tani, Keita; Yokoi, Kunihiko","Crystal structure of 7-hydroxy-8-[(4-methylpiperazin-1-yl)methyl]-2<i>H</i>-chromen-2-one","Acta Crystallographica Section E","2016","72","12","1751","1753","10.1107/S2056989016017217","","","0.71075","MoKα","","0.1003","0.0424","","","0.1154","0.1622","","","","","","1.049","","","","has coordinates,has Fobs","187832","2020-10-21","18:00:00",""
"2241925","10.3419","0.0004","11.7885","0.0006","19.2267","0.0011","77.606","0.005","89.306","0.004","86.658","0.004","2285.5","0.2","173","2","173","2","","","","","","","","3","P -1","-P 1","2","Nonacyclo[14.6.6.6^5,12^.0^2,15^.0^4,13^.0^6,11^.0^17,22^.0^23,28^.0^29,34^]tetratriaconta-2(15),4(13),6,8,10,17,19,21,23,25,27,29(34),30,32-tetradecaene-3,14-dione","5,7,12,14-Tetrahydro-5,14:7,12-bis([1,2]benzeno)pentacene-6,13-dione","","- C34 H20 O2 -","- C34 H20 O2 -","- C136 H80 O8 -","4","2","","Nozari, Mohammad; Jasinski, Jerry P.; Kaur, Manpreet; Addison, Anthony W.; Arabi Shamsabadi, Ahmad; Soroush, Masoud","Crystal structure of 5,7,12,14-tetrahydro-5,14:7,12-bis([1,2]benzeno)pentacene-6,13-dione","Acta Crystallographica Section E","2016","72","12","1734","1738","10.1107/S2056989016017461","","","1.54184","CuKα","","0.0704","0.0568","","","0.1485","0.1612","","","","","","1.05","","","","has coordinates,has Fobs","187833","2020-10-21","18:00:00",""
"2241926","19.1596","0.0015","21.0532","0.0016","16.5711","0.0013","90","","99.935","0.0008","90","","6584.1","0.9","173","2","173","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","Di-μ-iodido-bis[({4-amino-1,5-bis[2,6-bis(propan-2-yl)phenyl]pent-3-en-2-ylidene}azanido-κ^2^<i>N</i>,<i>N</i>')magnesium(II] toluene sesquisolvate","","- C68.5 H94 I2 Mg2 N4 -","- C68.5 H94 I2 Mg2 N4 -","- C274 H376 I8 Mg8 N16 -","4","0.5","ZL2683","MacNeil, Connor S.; Johnson, Kevin R. D.; Hayes, Paul G.; Boeré, René T.","Crystal structure of a dimeric β-diketiminate magnesium complex","Acta Crystallographica Section E","2016","72","12","1754","1756","10.1107/S2056989016017394","","","0.71073","MoKα","","0.0339","0.0292","","","0.0837","0.0867","","","","","","1.057","","","","has coordinates,has disorder,has Fobs","187834","2020-10-21","18:00:00",""
"2241927","7.9081","0.0003","5.8434","0.0003","37.4435","0.0016","90","","90","","90","","1730.27","0.13","173","2","173","2","","","","","","","","4","P n a 21","P 2c -2n","33","","1,3-Bis[(<i>E</i>)-4-methoxybenzylideneamino]propan-2-ol","","- C19 H22 N2 O3 -","- C19 H22 N2 O3 -","- C76 H88 N8 O12 -","4","1","HB7623","Rivera, Augusto; Miranda-Carvajal, Ingrid; Ríos-Motta, Jaime; Bolte, Michael","Crystal structure of 1,3-bis[(<i>E</i>)-4-methoxybenzylideneamino]propan-2-ol","Acta Crystallographica Section E","2016","72","12","1731","1733","10.1107/S2056989016016947","","","0.71073","MoKα","","0.0505","0.0462","","","0.1198","0.1231","","","","","","1.01","","","","has coordinates,has Fobs","187835","2020-10-21","18:00:00",""
"2241928","23.283","0.003","7.2399","0.0009","14.2744","0.0016","90","","96.887","0.004","90","","2388.8","0.5","200","2","200","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Poly[tetra-μ~2~-acetato-κ^8^<i>O</i>:<i>O</i>'-bis(μ~2~-benzene-1,2-diamine-κ^2^<i>N</i>:<i>N</i>')dicadmium]","","- C10 H14 Cd N2 O4 -","- C10 H14 Cd N2 O4 -","- C80 H112 Cd8 N16 O32 -","8","1","PJ2037","Geiger, David K.; Parsons, Dylan E.; Pagano, Bracco A.","Two cadmium coordination polymers with bridging acetate and phenylenediamine ligands that exhibit two-dimensional layered structures","Acta Crystallographica Section E","2016","72","12","1718","1723","10.1107/S2056989016017382","","","0.71073","MoKa","","0.0554","0.0375","","","0.0983","0.1094","","","","","","1.046","","","","has coordinates,has Fobs","187836","2020-10-21","18:00:00",""
"2241929","20.777","0.006","8.2374","0.0018","15.002","0.004","90","","102.583","0.009","90","","2505.9","1.1","200","2","200","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Poly[[(μ~2~-acetato-κ^2^<i>O</i>:<i>O</i>')(acetato-κ^2^<i>O</i>,<i>O</i>')(μ~2~-benzene-1,3-diamine-κ^2^<i>N</i>:<i>N</i>')cadmium] hemihydrate]","","- C20 H30 Cd2 N4 O9 -","- C20 H30 Cd2 N4 O9 -","- C80 H120 Cd8 N16 O36 -","4","0.5","PJ2037","Geiger, David K.; Parsons, Dylan E.; Pagano, Bracco A.","Two cadmium coordination polymers with bridging acetate and phenylenediamine ligands that exhibit two-dimensional layered structures","Acta Crystallographica Section E","2016","72","12","1718","1723","10.1107/S2056989016017382","","","0.71073","MoKa","","0.0557","0.0371","","","0.0868","0.0954","","","","","","0.994","","","","has coordinates,has Fobs","187836","2020-10-21","18:00:00",""
"2241930","12.1347","0.0005","12.0708","0.0005","17.6391","0.0007","90","","108.617","0.002","90","","2448.5","0.18","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","12-(4-Nitrophenyl)-7-phenylsulfonyl-7<i>H</i>-benzofuro[2,3-<i>b</i>]carbazole","","- C30 H18 N2 O5 S -","- C30 H18 N2 O5 S -","- C120 H72 N8 O20 S4 -","4","1","SU5333","Swaminathan, K.; Narayanan, P.; Sethusankar, K.; Saravanan, Velu; Mohanakrishnan, Arasambattu K.","Crystal structures of two new carbazole derivatives: 12-(4-nitrophenyl)-7-phenylsulfonyl-7<i>H</i>-benzofuro[2,3-<i>b</i>]carbazole and 2-methyl-4-(4-nitrophenyl)-9-phenylsulfonyl-9<i>H</i>-thieno[2,3-<i>b</i>]carbazole","Acta Crystallographica Section E","2016","72","12","1739","1743","10.1107/S2056989016016996","","","0.71073","MoKα","","0.0779","0.0425","","","0.1066","0.1312","","","","","","1.046","","","","has coordinates,has disorder,has Fobs","187837","2020-10-21","18:00:00",""
"2241931","12.5052","0.0008","11.2594","0.0006","17.0731","0.0009","90","","102.914","0.002","90","","2343.1","0.2","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","2-Methyl-4-(4-nitrophenyl)-9-phenylsulfonyl-9<i>H</i>-thieno[2,3-<i>b</i>]carbazole","","- C27 H18 N2 O4 S2 -","- C27 H18 N2 O4 S2 -","- C108 H72 N8 O16 S8 -","4","1","SU5333","Swaminathan, K.; Narayanan, P.; Sethusankar, K.; Saravanan, Velu; Mohanakrishnan, Arasambattu K.","Crystal structures of two new carbazole derivatives: 12-(4-nitrophenyl)-7-phenylsulfonyl-7<i>H</i>-benzofuro[2,3-<i>b</i>]carbazole and 2-methyl-4-(4-nitrophenyl)-9-phenylsulfonyl-9<i>H</i>-thieno[2,3-<i>b</i>]carbazole","Acta Crystallographica Section E","2016","72","12","1739","1743","10.1107/S2056989016016996","","","0.71073","MoKα","","0.084","0.0549","","","0.1359","0.1628","","","","","","1.081","","","","has coordinates,has Fobs","187837","2020-10-21","18:00:00",""
"2241932","8.8764","0.0003","13.406","0.0005","15.2678","0.0006","80.466","0.0015","85.4332","0.0015","78.4602","0.0015","1753.48","0.11","105","2","105","2","","","","","","","","5","P -1","-P 1","2","Piroxicam‒gentisic acid (2/1)","4-Hydroxy-1,1-dioxo-<i>N</i>-(pyridin-2-yl)-2<i>H</i>-1λ^6^,2-benzothiazine-3-carboxamide‒2-(4-oxido-1,1-dioxo-2<i>H</i>-1λ^6^,2-benzothiazine-3-amido)pyridin-1-ium‒2,5-dihydroxybenzoic acid","","- C37 H32 N6 O12 S2 -","- C37 H32 N6 O12 S2 -","- C74 H64 N12 O24 S4 -","2","1","HB7625","Horstman, Elizabeth M.; Bertke, Jeffery A.; Woods, Toby J.; Kenis, Paul J. A.","Crystal structure of a 2:1 piroxicam‒gentisic acid co-crystal featuring neutral and zwitterionic piroxicam molecules","Acta Crystallographica Section E","2016","72","12","1714","1717","10.1107/S2056989016017321","","","1.54178","CuKα","","0.0384","0.0334","","","0.0836","0.086","","","","","","1.11","","","","has coordinates,has disorder,has Fobs","187838","2020-10-21","18:00:00",""
"2241933","11.683","0.002","8.594","0.002","20.083","0.004","90","","100.59","0.03","90","","1982.1","0.7","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","(18-Crown-6)potassium acetate dihydrate","(Acetato-κ^2^<i>O</i>,<i>O</i>')(1,4,7,10,13,16-hexaoxacyclooctadecane-\ κ^6^<i>O</i>)potassium dihydrate","","- C14 H31 K O10 -","- C14 H31 K O10 -","- C56 H124 K4 O40 -","4","1","HB7621","Liebing, Phil; Zaeni, Ahmad; Olbrich, Falk; Edelmann, Frank T.","Crystal structures of two solvates of (18-crown-6)potassium acetate","Acta Crystallographica Section E","2016","72","12","1757","1761","10.1107/S2056989016017436","","","0.71073","MoKα","","0.0386","0.0305","","","0.0753","0.0795","","","","","","1.043","","","","has coordinates,has Fobs","188332","2020-10-21","18:00:00",""
"2241934","11.3233","0.0001","8.545","0.0001","23.3869","0.0003","90","","99.053","0.001","90","","2234.67","0.04","200","2","200","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Acetatoaqua(18-crown-6)potassium acetic acid monosolvate","(Acetato-κ^2^<i>O</i>,<i>O</i>')aqua(1,4,7,10,13,16-hexaoxacyclooctadecane-\ κ^6^<i>O</i>)potassium acetic acid monosolvate","","- C16 H33 K O11 -","- C16 H33 K O11 -","- C64 H132 K4 O44 -","4","1","","Liebing, Phil; Zaeni, Ahmad; Olbrich, Falk; Edelmann, Frank T.","Crystal structures of two solvates of (18-crown-6)potassium acetate","Acta Crystallographica Section E","2016","72","12","1757","1761","10.1107/S2056989016017436","","","0.71073","MoKα","","0.0581","0.0407","","","0.0949","0.1039","","","","","","1.046","","","","has coordinates,has Fobs","188332","2020-10-21","18:00:00",""
"2241935","4.0382","0.0001","8.9362","0.0004","12.1015","0.0004","90","","93.763","0.003","90","","435.76","0.03","296","1","296","1","","","","","","","","4","P 1 21/m 1","-P 2yb","11","4-Bromo-3,5-dimethylbenzonitrile","","","- C9 H8 Br N -","- C9 H8 Br N -","- C18 H16 Br2 N2 -","2","0.5","IS5462","Navarrete Guitérrez, Angélica; Aguirre Hernández, Gerardo; Bernès, Sylvain","Crystal structures of <i>p</i>-substituted derivatives of 2,6-dimethylbromobenzene with {σcriptstyle{1øver2}} {łeq} <i>Z</i>' {łeq} 4","Acta Crystallographica Section E","2016","72","12","1762","1767","10.1107/S2056989016017485","","","1.54184","CuKα","","0.0486","0.0443","","","0.1413","0.1471","","","","","","1.084","","","","has coordinates,has Fobs","188333","2020-10-21","18:00:00",""
"2241936","4.0502","0.0005","9.3817","0.0006","12.1823","0.0005","93.498","0.004","99.284","0.004","101.722","0.005","445.2","0.07","296","1","296","1","","","","","","","","5","P -1","-P 1","2","","2-Bromo-1,3-dimethyl-5-nitrobenzene","","- C8 H8 Br N O2 -","- C8 H8 Br N O2 -","- C16 H16 Br2 N2 O4 -","2","1","IS5462","Navarrete Guitérrez, Angélica; Aguirre Hernández, Gerardo; Bernès, Sylvain","Crystal structures of <i>p</i>-substituted derivatives of 2,6-dimethylbromobenzene with {σcriptstyle{1øver2}} {łeq} <i>Z</i>' {łeq} 4","Acta Crystallographica Section E","2016","72","12","1762","1767","10.1107/S2056989016017485","","","1.54184","CuKα","","0.0495","0.0449","","","0.1215","0.1276","","","","","","1.069","","","","has coordinates,has Fobs","188333","2020-10-21","18:00:00",""
"2241937","10.48314","0.00015","6.10173","0.0001","26.6195","0.0005","90","","100.073","0.0016","90","","1676.48","0.05","296","1","296","1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","4-Bromo-3,5-dimethylaniline","","","- C8 H10 Br N -","- C8 H10 Br N -","- C64 H80 Br8 N8 -","8","2","IS5462","Navarrete Guitérrez, Angélica; Aguirre Hernández, Gerardo; Bernès, Sylvain","Crystal structures of <i>p</i>-substituted derivatives of 2,6-dimethylbromobenzene with {σcriptstyle{1øver2}} {łeq} <i>Z</i>' {łeq} 4","Acta Crystallographica Section E","2016","72","12","1762","1767","10.1107/S2056989016017485","","","1.54184","CuKα","","0.0614","0.0543","","","0.1563","0.1647","","","","","","1.108","","","","has coordinates,has Fobs","188333","2020-10-21","18:00:00",""
"2241938","14.65213","0.00017","17.952","0.0002","24.0079","0.0003","90","","90","","90","","6314.92","0.13","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","4-Bromo-3,5-dimethylphenol","","- C8 H9 Br O -","- C8 H9 Br O -","- C256 H288 Br32 O32 -","32","4","IS5462","Navarrete Guitérrez, Angélica; Aguirre Hernández, Gerardo; Bernès, Sylvain","Crystal structures of <i>p</i>-substituted derivatives of 2,6-dimethylbromobenzene with {σcriptstyle{1øver2}} {łeq} <i>Z</i>' {łeq} 4","Acta Crystallographica Section E","2016","72","12","1762","1767","10.1107/S2056989016017485","","","1.54184","CuKα","","0.0323","0.0261","","","0.0625","0.0652","","","","","","1.021","","","","has coordinates,has Fobs","188333","2020-10-21","18:00:00",""
"2241939","7.406","0.004","9.042","0.004","11.719","0.005","80.42","0.017","81.03","0.02","87.66","0.03","764.3","0.6","93","1","93","2","","","","","","","","4","P -1","-P 1","2","","4-(<i>n</i>-Pentyloxy)benzoic acid‒(<i>E</i>)-1,2-bis(pyridin-4-yl)ethene (2/1)","","- C36 H42 N2 O6 -","- C36 H42 N2 O6 -","- C36 H42 N2 O6 -","1","0.5","","Tabuchi, Yohei; Gotoh, Kazuma; Ishida, Hiroyuki","Crystal structures of hydrogen-bonded co-crystals as liquid crystal precursors: 4-(<i>n</i>-pentyloxy)benzoic acid‒(<i>E</i>)-1,2-bis(pyridin-4-yl)ethene (2/1) and 4-(<i>n</i>-hexyloxy)benzoic acid‒(<i>E</i>)-1,2-bis(pyridin-4-yl)ethene (2/1)","Acta Crystallographica Section E","2016","72","12","1771","1775","10.1107/S2056989016017655","","","0.71075","MoKα","","0.0443","0.0416","","","0.1154","0.1178","","","","","","1.077","","","","has coordinates,has Fobs","188334","2020-10-21","18:00:00",""
"2241940","9.107","0.003","12.02","0.005","16.672","0.006","81.584","0.016","88.416","0.015","67.905","0.015","1672","1.1","93","1","93","2","","","","","","","","4","P -1","-P 1","2","","4-(<i>n</i>-Hexyloxy)benzoic acid‒(<i>E</i>)-1,2-bis(pyridin-4-yl)ethene","","- C38 H46 N2 O6 -","- C38 H46 N2 O6 -","- C76 H92 N4 O12 -","2","1","","Tabuchi, Yohei; Gotoh, Kazuma; Ishida, Hiroyuki","Crystal structures of hydrogen-bonded co-crystals as liquid crystal precursors: 4-(<i>n</i>-pentyloxy)benzoic acid‒(<i>E</i>)-1,2-bis(pyridin-4-yl)ethene (2/1) and 4-(<i>n</i>-hexyloxy)benzoic acid‒(<i>E</i>)-1,2-bis(pyridin-4-yl)ethene (2/1)","Acta Crystallographica Section E","2016","72","12","1771","1775","10.1107/S2056989016017655","","","0.71075","MoKα","","0.0601","0.0425","","","0.1027","0.1101","","","","","","1.014","","","","has coordinates,has disorder,has Fobs","188334","2020-10-21","18:00:00",""
"2241941","19.8293","0.0003","8.6464","0.0001","18.1551","0.0003","90","","106.715","0.001","90","","2981.21","0.08","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","<i>fac</i>-[2-(4-Methyl-5-phenylpyridin-2-yl)phenyl-κ^2^<i>C</i>^1^,<i>N</i>]bis[2-(pyridin-2-yl)phenyl-κ^2^<i>C</i>^1^,<i>N</i>]iridium(III)","","- C40 H30 Ir N3 -","- C40 H30 Ir N3 -","- C160 H120 Ir4 N12 -","4","1","","Lee, Chi-Heon; Moon, Suk-Hee; Park, Ki-Min; Kang, Youngjin","Crystal structure of <i>fac</i>-[2-(4-methyl-5-phenylpyridin-2-yl)phenyl-κ^2^<i>C</i>^1^,<i>N</i>]bis[2-(pyridin-2-yl)phenyl-κ^2^<i>C</i>^1^,<i>N</i>]iridium(III)","Acta Crystallographica Section E","2016","72","12","1768","1770","10.1107/S2056989016017618","","","0.71073","MoKα","","0.0313","0.026","","","0.0603","0.0623","","","","","","1.019","","","","has coordinates,has Fobs","188335","2020-10-21","18:00:00",""
"2241942","10.5572","0.0005","11.0764","0.0004","11.4408","0.0005","104.622","0.001","97.327","0.002","90.695","0.001","1282.57","0.1","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","4-(2-Carbamoyl-1-benzofuran-5-yl)-1-[4-(5-cyano-1<i>H</i>-indol-3-yl)butyl]piperazin-1-ium chloride methanol monosolvate","","- C27 H32 Cl N5 O3 -","- C27 H32 Cl N5 O3 -","- C54 H64 Cl2 N10 O6 -","2","1","XU5894","Hu, Xiu-Rong; Ye, Jia-Li; Gu, Jian-Ming","Crystal structure of vilazodone hydrochloride methanol monosolvate","Acta Crystallographica Section E","2016","72","12","1783","1785","10.1107/S2056989016017734","","","0.71073","MoKα","","0.0688","0.053","","","0.1308","0.1537","","","","","","1.002","","","","has coordinates,has Fobs","188380","2020-10-21","18:00:00",""
"2241943","22.581","0.0005","13.7701","0.0003","18.5242","0.0004","90","","92.125","0.002","90","","5756","0.2","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Tetrakis[μ~3~-4-methyl-<i>N</i>-(2-oxidophenyl)salicylideneiminato]tetrakis[methanolnickel(II)] methanol 0.8-solvate","","- C60.8 H63.2 N4 Ni4 O12.8 -","- C60.8 H63.2 N4 Ni4 O12.8 -","- C243.2 H252.8 N16 Ni16 O51.2 -","4","1","RZ5196","Pavlović, Gordana; Majer, Mihael; Cindrić, Marina","A tetranuclear cubane-like nickel(II) complex with a tridentate salicylideneimine Schiff base ligand: tetrakis[μ~3~-4-methyl-<i>N</i>-(2-oxidophenyl)salicylideneiminato]tetrakis[methanolnickel(II)] methanol 0.8-solvate","Acta Crystallographica Section E","2016","72","12","1776","1779","10.1107/S2056989016017722","","","0.71073","MoKα","","0.1432","0.0675","","","0.1092","0.1301","","","","","","0.994","","","","has coordinates,has Fobs","188381","2020-10-21","18:00:00",""
"2241944","4.8564","0.0002","13.5188","0.0005","6.7205","0.0003","90","","96.992","0.002","90","","437.94","0.03","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","(N H4)2 [Cu (C2 O4)2]","<i>catena</i>-Poly[diammonium [di-μ-oxalato-cuprate(II)]]","","- C4 H8 Cu N2 O8 -","- C4 H8 Cu N2 O8 -","- C8 H16 Cu2 N4 O16 -","2","0.5","PJ2038","Dickie, Diane A.; Kemp, Richard A.","Crystal structure of <i>catena</i>-poly[diammonium [di-μ-oxalato-cuprate(II)]]","Acta Crystallographica Section E","2016","72","12","1780","1782","10.1107/S2056989016017631","","","0.71073","MoKα","","0.0204","0.0179","","","0.0498","0.0509","","","","","","1.077","","","","has coordinates,has Fobs","188382","2020-10-21","18:00:00",""
"2241945","6.15","0.0005","4.7475","0.0003","31.002","0.002","90","","90.461","0.003","90","","905.14","0.11","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","<i>N</i>,<i>N</i>'-Dibenzylpyromellitic diimide","2,6-Dibenzylpyrrolo[3,4-<i>f</i>]isoindole-1,3,5,7(2<i>H</i>,6<i>H</i>)-\ tetraone","","- C24 H16 N2 O4 -","- C24 H16 N2 O4 -","- C48 H32 N4 O8 -","2","0.5","","Im, Hansu; Moon, Suk-Hee; Kim, Tae Ho; Park, Ki-Min","Crystal structure of <i>N</i>,<i>N</i>'-dibenzylpyromellitic diimide","Acta Crystallographica Section E","2016","72","12","1809","1811","10.1107/S2056989016017710","","","0.71073","MoKα","","0.0692","0.0478","","","0.1087","0.1194","","","","","","1.042","","","","has coordinates,has Fobs","188490","2020-10-21","18:00:00",""
"2241946","11.8702","0.001","11.8702","0.001","19.386","0.0018","90","","90","","120","","2365.6","0.4","200","2","200","2","","","","","","","","6","R -3 :H","-R 3","148","","Hexakis(dimethyl sulfoxide-κ<i>O</i>)manganese(II) tetraiodide","","- C12 H36 I4 Mn O6 S6 -","- C12 H36 I4 Mn O6 S6 -","- C36 H108 I12 Mn3 O18 S18 -","3","0.166667","WM5337","Haque, Md Azimul; Davaasuren, Bambar; Rothenberger, Alexander; Wu, Tom","Crystal structure of hexakis(dimethyl sulfoxide-κ<i>O</i>)manganese(II) tetraiodide","Acta Crystallographica Section E","2016","72","12","1791","1793","10.1107/S2056989016017904","","","0.71073","MoKα","","0.0198","0.0172","","","0.0374","0.0384","","","","","","1.064","","","","has coordinates,has Fobs","188491","2020-10-21","18:00:00",""
"2241947","7.163","0.0008","9.1309","0.001","29.694","0.003","90","","90","","90","","1942.1","0.4","294","2","294","2","","","","","","","","6","P b c n","-P 2n 2ab","60","4-Fluorobenzylammonium dihydrogen phosphate","","","- C7 H11 F N O4 P -","- C7 H11 F N O4 P -","- C56 H88 F8 N8 O32 P8 -","8","1","WM5335","Rayes, Ali; Dadi, Ahlem; Mahbouli Rhouma, Najla; Mezzadri, Francesco; Calestani, Gianluca","Synthesis and crystal structure of 4-fluorobenzylammonium dihydrogen phosphate, [FC~6~H~4~CH~2~NH~3~]H~2~PO~4~","Acta Crystallographica Section E","2016","72","12","1812","1815","10.1107/S2056989016018090","","","0.71073","MoKα","","0.0777","0.0774","","","0.1694","0.1695","","","","","","1.327","","","","has coordinates,has Fobs","188492","2020-10-21","18:00:00",""
"2241948","10.7271","0.0002","13.5412","0.0002","15.9361","0.0003","67.747","0.002","87.126","0.002","72.826","0.002","2041.92","0.07","100","2","100","1","","","","","","","","8","P -1","-P 1","2","","[<i>N</i>,<i>N</i>-Bis(2-hydroxyethyl)dithiocarbamato-κ^2^<i>S</i>,<i>S</i>']bis(triphenylphosphane-κ<i>P</i>)copper(I) chloroform monosolvate","","- C42 H41 Cl3 Cu N O2 P2 S2 -","- C42 H41 Cl3 Cu N O2 P2 S2 -","- C84 H82 Cl6 Cu2 N2 O4 P4 S4 -","2","1","HB7632","Tan, Sang Loon; Yeo, Chien Ing; Heard, Peter J.; Akien, Geoffrey R.; Halcovitch, Nathan R.; Tiekink, Edward R. T.","[<i>N</i>,<i>N</i>-Bis(2-hydroxyethyl)dithiocarbamato-κ^2^<i>S</i>,<i>S</i>']bis(triphenylphosphane-κ<i>P</i>)copper(I) chloroform monosolvate: crystal structure, Hirshfeld surface analysis and solution NMR measurements","Acta Crystallographica Section E","2016","72","12","1799","1805","10.1107/S2056989016017837","","","0.71073","MoKα","","0.0504","0.0445","","","0.1127","0.1172","","","","","","1.034","","","","has coordinates,has Fobs","188493","2020-10-21","18:00:00",""
"2241949","12.283","0.001","12.736","0.001","6.494","0.005","90","","114.76","0.03","90","","922.5","0.8","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","Na2 Ca Mn Fe (P O4)3","Disodium calcium manganese iron tris(phosphate)","","- Ca Fe Mn Na2 O12 P3 -","- Ca Fe1.0002 Mn0.9998 Na2 O12 P3 -","- Ca4 Fe4.0008 Mn3.9992 Na8 O48 P12 -","4","0.5","BR2263","Jebli, Semeh; Badri, Abdessalem; Ben Amara, Mongi","Synthesis and crystal structure of a new alluaudite-like iron phosphate Na~2~CaMnFe(PO~4~)~3~","Acta Crystallographica Section E","2016","72","12","1806","1808","10.1107/S2056989016017771","","","0.71073","MoKα","","0.0376","0.0281","","","0.0764","0.0806","","","","","","1.065","","","","has coordinates,has Fobs","188494","2020-10-21","18:00:00",""
"2241950","7.8819","0.0005","24.5497","0.0014","7.3137","0.0004","90","","98.739","0.002","90","","1398.76","0.14","180","2","180","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Poly[[μ~7~-dihydrogen (4,5-dicyano-1,2-phenylene)diphosphonato](oxonium)caesium]","","- C8 H7 Cs N2 O7 P2 -","- C8 H7 Cs N2 O7 P2 -","- C32 H28 Cs4 N8 O28 P8 -","4","1","","Mendes, Ricardo F.; Venkatramaiah, Nutalapati; Tomé, João P. C.; Almeida Paz, Filipe A.","Crystal structure of a compact three-dimensional metal‒organic framework based on Cs^+^ and (4,5-dicyano-1,2-phenylene)bis(phosphonic acid)","Acta Crystallographica Section E","2016","72","12","1794","1798","10.1107/S2056989016016765","","","0.71073","MoKα","","0.031","0.0305","","","0.0796","0.0798","","","","","","1.502","","","","has coordinates,has Fobs","188495","2020-10-21","18:00:00",""
"2241951","11.7112","0.0006","15.9238","0.0006","14.8703","0.0006","90","","90","","90","","2773.1","0.2","153","2","153","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","Bis[μ-<i>N</i>^1^,<i>N</i>^2^-bis(propan-2-yl)benzamidinato-κ^2^<i>N</i>^1^:<i>N</i>^2^]disilver(I)","","- C26 H38 Ag2 N4 -","- C26 H38 Ag2 N4 -","- C104 H152 Ag8 N16 -","4","0.5","WM5332","Wang, Sida; Harmgarth, Nicole; Liebing, Phil; Edelmann, Frank T.","Crystal and molecular structures of two silver(I) amidinates, including an unexpected co-crystal with a lithium amidinate","Acta Crystallographica Section E","2016","72","12","1786","1790","10.1107/S2056989016017680","","","0.71073","MoKα","","0.037","0.0238","","","0.044","0.0467","","","","","","0.991","","","","has coordinates,has Fobs","188496","2020-10-21","18:00:00",""
"2241952","10.588","0.0003","14.562","0.0004","14.983","0.0005","99.871","0.002","102.825","0.002","106.538","0.002","2090.17","0.12","133","2","133","2","","","","","","","","6","P -1","-P 1","2","","Bis(μ-<i>N</i>^1^,<i>N</i>^2^-dicyclohexyl-3-cyclopropylpropynamidinato-κ^2^<i>N</i>^1^:<i>N</i>^2^)disilver(I) bis(μ-<i>N</i>^1^,<i>N</i>^2^-dicyclohexyl-3-cyclopropylpropynamidinato-κ^3^<i>N</i>^1^,<i>N</i>^2^:<i>N</i>^1^)bis(tetrahydrofuran- κ<i>O</i>)lithium(I) toluene monosolvate","","- C87 H132 Ag2 Li2 N8 O2 -","- C87 H132 Ag2 Li2 N8 O2 -","- C87 H132 Ag2 Li2 N8 O2 -","1","0.5","","Wang, Sida; Harmgarth, Nicole; Liebing, Phil; Edelmann, Frank T.","Crystal and molecular structures of two silver(I) amidinates, including an unexpected co-crystal with a lithium amidinate","Acta Crystallographica Section E","2016","72","12","1786","1790","10.1107/S2056989016017680","","","0.71073","MoKα","","0.0335","0.0282","","","0.0712","0.0731","","","","","","1.028","","","","has coordinates,has disorder,has Fobs","188496","2020-10-21","18:00:00",""
"2241953","7.7027","0.0005","7.8688","0.0005","9.197","0.0005","87.403","0.005","81.419","0.005","76.295","0.005","535.48","0.06","170","2","170","2","","","","","","","","6","P -1","-P 1","2","","Bis(3,5-dimethylpyridine-κ<i>N</i>)bis(methanol-κ<i>O</i>)bis(thiocyanato-κ<i>n</i>)cobalt(II)","","- C18 H26 Co N4 O2 S2 -","- C18 H26 Co N4 O2 S2 -","- C18 H26 Co N4 O2 S2 -","1","0.5","WM5338","Suckert, Stefan; Jess, Inke; Näther, Christian","Crystal structure of bis(3,5-dimethylpyridine-κ<i>N</i>)bis(methanol-κ<i>O</i>)bis(thiocyanato-κ<i>N</i>)cobalt(II)","Acta Crystallographica Section E","2016","72","12","1824","1826","10.1107/S2056989016018326","","","0.71073","MoKα","","0.043","0.0344","","","0.0868","0.0943","","","","","","1.08","","","","has coordinates,has Fobs","188574","2020-10-21","18:00:00",""
"2241954","11.419","0.003","5.6731","0.0016","15.226","0.004","90","","95.53","0.004","90","","981.8","0.5","120","2","120","2","","","","","","","","5","P 1 21 1","P 2yb","4","","Diethylammonium aniline-4-sulfonate anilinium-4-sulfonate","","- C16 H25 N3 O6 S2 -","- C16 H25 N3 O6 S2 -","- C32 H50 N6 O12 S4 -","2","1","HB7622","Toure, Assane; Diop, Libasse; Diop, Cheikh Abdoul Khadir; Oliver, Allen G.","Crystal structure of diethylammonium aniline-4-sulfonate anilinium-4-sulfonate","Acta Crystallographica Section E","2016","72","12","1830","1832","10.1107/S2056989016018041","","","0.71073","MoKα","","0.0452","0.0385","","","0.0751","0.0768","","","","","","0.975","","","","has coordinates,has Fobs","188575","2020-10-21","18:00:00",""
"2241955","18.5975","0.0003","12.9604","0.0002","16.89","0.0003","90","","96.365","0.0007","90","","4045.92","0.12","193","2","193","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","1-[(Anthracen-9-yl)carbonyl]-2,7-dimethoxynaphthalene","","- C27 H20 O3 -","- C27 H20 O3 -","- C216 H160 O24 -","8","2","IS5460","Siqingaowa; Tsumuki, Takehiro; Ogata, Kazuki; Yonezawa, Noriyuki; Okamoto, Akiko","1-[(Anthracen-9-yl)carbonyl]-2,7-dimethoxynaphthalene: a chain-like structure composed of face-to-face type dimeric molecular aggregates","Acta Crystallographica Section E","2016","72","12","1819","1823","10.1107/S2056989016018077","","","1.54187","CuKα","","0.0675","0.0402","","","0.1054","0.1127","","","","","","0.972","","","","has coordinates,has Fobs","188576","2020-10-21","18:00:00",""
"2241956","8.3367","0.0004","10.7752","0.0005","24.1016","0.0012","90","","90","","90","","2165.04","0.18","173","2","173","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","(<i>Z</i>)-[(Dimethylcarbamoyl)(methylsulfanyl)methylidene]amino <i>N</i>-methylcarbamate","","- C7 H13 N3 O3 S -","- C7 H13 N3 O3 S -","- C56 H104 N24 O24 S8 -","8","2","","Kwon, Eunjin; Park, Ki-Min; Park, Hyunjin; Kim, Tae Ho","Crystal structure of oxamyl","Acta Crystallographica Section E","2016","72","12","1816","1818","10.1107/S2056989016018168","","","0.71073","MoKα","","0.043","0.0369","","","0.0862","0.0898","","","","","","1.035","","","","has coordinates,has Fobs","188577","2020-10-21","18:00:00",""
"2241957","7.5125","0.0002","8.6671","0.0003","15.3079","0.0005","86.198","0.003","76.249","0.004","74.73","0.003","933.97","0.05","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","<i>trans</i>-Diaquabis(4-cyanobenzoato-κ<i>O</i>)bis(<i>N</i>,<i>N</i>-diethylnicotinamide-κ<i>N</i>)cadmium","","- C36 H40 Cd N6 O8 -","- C36 H40 Cd N6 O8 -","- C36 H40 Cd N6 O8 -","1","0.5","WM5339","Akduran, Nurcan; Sertçelik, Mustafa; Aydoğdu, Ömer; Necefoğlu, Hacali; Hökelek, Tuncer","Crystal structure of <i>trans</i>-diaquabis(4-cyanobenzoato-κ<i>O</i>)bis(<i>N</i>,<i>N</i>-diethylnicotinamide-κ<i>N</i>)cadmium","Acta Crystallographica Section E","2016","72","12","1827","1829","10.1107/S2056989016018247","","","0.71073","MoKα","","0.0279","0.0266","","","0.0662","0.0677","","","","","","1.088","","","","has coordinates,has Fobs","188578","2020-10-21","18:00:00",""
"2241958","8.9431","0.0002","12.3682","0.0003","13.886","0.0003","66.795","0.001","85.501","0.001","86.367","0.001","1406.44","0.06","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","[Dimethylbis(η^5^-tetramethylcyclopentadienyl)silane](trifluoromethanesulfonato-κ^2^<i>O</i>,<i>O</i>')titanium(III) toluene monosolvate","","- C28 H38 F3 O3 S Si Ti -","- C28 H38 F3 O3 S Si Ti -","- C56 H76 F6 O6 S2 Si2 Ti2 -","2","1","","Kessler, Monty; Godemann, Christian; Spannenberg, Anke; Beweries, Torsten","Crystal structures of two <i>ansa</i>-titanocene trifluoromethanesulfonate complexes bearing the Me~2~Si(C~5~Me~4~)~2~ ligand","Acta Crystallographica Section E","2016","72","12","1833","1835","10.1107/S2056989016018363","","","0.71073","MoKα","","0.0336","0.0303","","","0.0806","0.0836","","","","","","1.042","","","","has coordinates,has Fobs","188630","2020-10-21","18:00:00",""
"2241959","10.0958","0.0003","15.8656","0.0005","14.5544","0.0005","90","","91.9841","0.0008","90","","2329.87","0.13","150","2","150","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","Chlorido[dimethylbis(η^5^-tetramethylcyclopentadienyl)silane](trifluoromethanesulfonato-κ<i>O</i>)titanium(IV)","","- C21 H30 Cl F3 O3 S Si Ti -","- C21 H30 Cl F3 O3 S Si Ti -","- C84 H120 Cl4 F12 O12 S4 Si4 Ti4 -","4","1","","Kessler, Monty; Godemann, Christian; Spannenberg, Anke; Beweries, Torsten","Crystal structures of two <i>ansa</i>-titanocene trifluoromethanesulfonate complexes bearing the Me~2~Si(C~5~Me~4~)~2~ ligand","Acta Crystallographica Section E","2016","72","12","1833","1835","10.1107/S2056989016018363","","","0.71073","MoKα","","0.0335","0.03","","","0.0826","0.0851","","","","","","1.042","","","","has coordinates,has Fobs","188630","2020-10-21","18:00:00",""
"2241960","7.1116","0.0009","7.6131","0.0009","8.9414","0.0011","86.927","0.006","80.354","0.006","72.587","0.005","455.38","0.1","173","2","173","2","","","","","","","","6","P -1","-P 1","2","fluroxypyr","2-[(4-Amino-3,5-dichloro-6-fluoropyridin-2-yl)oxy]acetic acid","","- C7 H5 Cl2 F N2 O3 -","- C7 H5 Cl2 F N2 O3 -","- C14 H10 Cl4 F2 N4 O6 -","2","1","","Park, Hyunjin; Choi, Myong Yong; Kwon, Eunjin; Kim, Tae Ho","Crystal structure of fluroxypyr","Acta Crystallographica Section E","2016","72","12","1836","1838","10.1107/S2056989016018533","","","0.71073","MoKα","","0.0296","0.0281","","","0.0752","0.0763","","","","","","1.123","","","","has coordinates,has Fobs","188677","2020-10-21","18:00:00",""
"2241961","7.3861","0.0003","8.5629","0.0003","15.1619","0.0006","75.839","0.003","79.196","0.003","70.1","0.003","868.55","0.06","293","","293","","","","","","","","","5","P -1","-P 1","2","Meloxicam acetylenedicarboxylic acid","4-Hydroxy-2-methyl-<i>N</i>-(5-methyl-1,3-thiazol-2-yl)-2<i>H</i>-1,2-benzothiazine-3-carboxamide‒2-butynedioic acid (2/1)","","- C32 H28 N6 O12 S4 -","- C32 H28 N6 O12 S4 -","- C32 H28 N6 O12 S4 -","1","0.5","LH5829","Tantardini, Christian; Arkhipov, Sergey G.; Cherkashina, Ksenya A.; Kil'met'ev, Alexander S.; Boldyreva, Elena V.","Crystal structure of a 2:1 co-crystal of meloxicam with acetylendicarboxylic acid","Acta Crystallographica Section E","2016","72","12","1856","1859","10.1107/S2056989016018909","","","0.71073","MoKα","","0.0471","0.0362","","","0.0914","0.0982","","","","","","1.045","","","","has coordinates,has Fobs","219800","2020-10-21","18:00:00",""
"2241962","14.689","0.003","8.0775","0.0015","21.861","0.004","90","","103.942","0.003","90","","2517.4","0.8","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(Acetonitrile-κ<i>N</i>)iodido(2-(naphthalen-1-yl)-6-{1-[(2,4,6-trimethylphenyl)imino]ethyl}pyridine-κ^2^<i>N</i>,<i>N</i>')copper(I)","","- C28 H27 Cu I N3 -","- C28 H27 Cu I N3 -","- C112 H108 Cu4 I4 N12 -","4","1","WM5341","Al-Najjar, Nada; Solan, Gregory A.; Singh, Kuldip","Crystal structure of (acetonitrile-κ<i>N</i>)iodido(2-(naphthalen-1-yl)-6-{1-[(2,4,6-trimethylphenyl)imino]ethyl}pyridine-κ^2^<i>N</i>,<i>N</i>')copper(I)","Acta Crystallographica Section E","2016","72","12","1845","1847","10.1107/S2056989016018685","","","0.71073","MoKα","","0.0981","0.0511","","","0.0746","0.085","","","","","","0.769","","","","has coordinates,has Fobs","188748","2020-10-21","18:00:00",""
"2241963","20.7156","0.0011","6.366","0.0003","16.0288","0.0007","90","","105.183","0.004","90","","2040.02","0.17","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(3<i>Z</i>)-4-Benzoyl-3-[(2,4-dinitrophenyl)hydrazinylidene]-5-phenylfuran-2(3<i>H</i>)-one","","- C23 H14 N4 O7 -","- C23 H14 N4 O7 -","- C92 H56 N16 O28 -","4","1","WM5340","Köysal, Yavuz; Bülbül, Hakan; İlhan, İlhan Özer; Akın, Nazenin; Dege, Necmi","Crystal structure and computational studies of (3<i>Z</i>)-4-benzoyl-3-[(2,4-dinitrophenyl)hydrazinylidene]-5-phenylfuran-2(3<i>H</i>)-one","Acta Crystallographica Section E","2016","72","12","1852","1855","10.1107/S2056989016018600","","","0.71073","MoKα","","0.0736","0.0385","","","0.0796","0.0888","","","","","","1.012","","","","has coordinates,has Fobs","188749","2020-10-21","18:00:00",""
"2241964","11.4286","0.0007","12.7227","0.0008","20.1915","0.0012","94.005","0.005","105.839","0.006","103.952","0.006","2712","0.3","100","","100","","","","","","","","","7","P -1","-P 1","2","","Bis(bis{μ~3~-3-methyl-3-[(4-nitro-2-oxidobenzylidene)amino]propane-1,3-diolato}tris[chlorido(dimethyl sulfoxide)iron(III)]) dimethyl sulfoxide heptasolvate dihydrate","","- C70 H126 Cl6 Fe6 N8 O35 S13 -","- C70 H126 Cl6 Fe6 N8 O35 S13 -","- C70 H126 Cl6 Fe6 N8 O35 S13 -","1","0.5","BG2596","Chygorin, Eduard; Smal, Yuri; Omelchenko, Irina V.","Crystal structure of bis(bis{μ~3~-3-methyl-3-[(4-nitro-2-oxidobenzylidene)amino]propane-1,3-diolato}tris[chlorido(dimethyl sulfoxide)iron(III)]) dimethyl sulfoxide heptasolvate dihydrate","Acta Crystallographica Section E","2016","72","12","1848","1851","10.1107/S2056989016018508","","","0.71073","MoKα","","0.1824","0.0811","","","0.1273","0.1634","","","","","","0.988","","","","has coordinates,has disorder,has Fobs","188750","2020-10-21","18:00:00",""
"2241965","7.3274","0.0002","19.4495","0.0004","7.8579","0.0003","90","","113.205","0.004","90","","1029.27","0.06","123","2","123","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Bis[triamminesilver(I)] bis[diamminesilver(I)] hexafluoridostannate(IV) difluoride","","- Ag4 F8 H30 N10 Sn -","- Ag4 F8 H30 N10 Sn -","- Ag8 F16 H60 N20 Sn2 -","2","0.5","WM5342","Kraus, Florian; Fichtl, Matthias; Baer, Sebastian","Crystal structure of [Ag(NH~3~)~3~]~2~[Ag(NH~3~)~2~]~2~[SnF~6~]F~2~, a compound showing argentophilic interactions","Acta Crystallographica Section E","2016","72","12","1860","1863","10.1107/S2056989016019010","","","0.71073","MoKα","","0.0355","0.0201","","","0.0402","0.0458","","","","","","0.993","","","","has coordinates,has Fobs","188751","2020-10-21","18:00:00",""
"2241966","9.5538","0.0006","8.3655","0.0003","19.1395","0.001","90","","96.837","0.004","90","","1518.8","0.14","210","2","210","2","","","","","","","","3","P 1 21 1","P 2yb","4","","[(1<i>R</i>,3<i>R</i>,4<i>R</i>,5<i>R</i>,6<i>S</i>)-4,5-Bis(acetyloxy)-7-oxo-2-oxabicyclo[4.2.0]octan-3-yl]methyl acetate","","- C14 H18 O8 -","- C14 H18 O8 -","- C56 H72 O32 -","4","2","ZL2684","Schilde, Uwe; Kelling, Alexandra; Umbreen, Sumaira; Linker, Torsten","Crystal structures of three bicyclic carbohydrate derivatives","Acta Crystallographica Section E","2016","72","12","1839","1844","10.1107/S2056989016018727","","","0.71073","MoKα","","0.039","0.0318","","","0.0783","0.0816","","","","","","1.026","","","","has coordinates,has Fobs","188752","2020-10-21","18:00:00",""
"2241967","8.991","0.0003","9.6231","0.0005","14.4915","0.0006","90","","101.742","0.003","90","","1227.59","0.09","210","2","210","2","","","","","","","","4","P 1 21 1","P 2yb","4","","(1<i>S</i>,4<i>R</i>,5<i>S</i>,6<i>R</i>)-\ 5-Acetyloxy-7-hydroxyimino-2-oxabicyclo[4.2.0]octan-4-yl acetate","","- C11 H15 N O6 -","- C11 H15 N O6 -","- C44 H60 N4 O24 -","4","2","ZL2684","Schilde, Uwe; Kelling, Alexandra; Umbreen, Sumaira; Linker, Torsten","Crystal structures of three bicyclic carbohydrate derivatives","Acta Crystallographica Section E","2016","72","12","1839","1844","10.1107/S2056989016018727","","","0.71073","MoKα","","0.0405","0.0374","","","0.0999","0.1025","","","","","","1.032","","","","has coordinates,has disorder,has Fobs","188752","2020-10-21","18:00:00",""
"2241968","7.0784","0.0005","6.1454","0.0003","18.5176","0.0012","90","","100.476","0.005","90","","792.08","0.09","210","2","210","2","","","","","","","","4","P 1 21 1","P 2yb","4","","[(3a<i>R</i>,5<i>R</i>,6<i>R</i>,7<i>R</i>,7a<i>S</i>)-6,7-Bis(acetyloxy)-2-oxooctahydropyrano[3,2-<i>b</i>]pyrrol-5-yl]methyl acetate","","- C14 H19 N O8 -","- C14 H19 N O8 -","- C28 H38 N2 O16 -","2","1","ZL2684","Schilde, Uwe; Kelling, Alexandra; Umbreen, Sumaira; Linker, Torsten","Crystal structures of three bicyclic carbohydrate derivatives","Acta Crystallographica Section E","2016","72","12","1839","1844","10.1107/S2056989016018727","","","0.71073","MoKα","","0.0435","0.0417","","","0.1101","0.1122","","","","","","1.076","","","","has coordinates,has Fobs","188752","2020-10-21","18:00:00",""
"2241970","9.91","0.002","8.373","0.0017","22.999","0.005","90","","90","","90","","1908.4","0.7","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","<i>trans</i>-Cyclohexane-1,2-diammonium chromate(VI)","","- C6 H16 Cr N2 O4 -","- C6 H16 Cr N2 O4 -","- C48 H128 Cr8 N16 O32 -","8","1","WM5343","Moon, Dohyun; Choi, Jong-Ha","Crystal structure of <i>trans</i>-cyclohexane-1,2-diammonium chromate(VI) from synchrotron X-ray diffraction data","Acta Crystallographica Section E","2016","72","12","1872","1874","10.1107/S2056989016019009","","","0.65","synchrotron","","0.0723","0.0553","","","0.1464","0.1599","","","","","","0.987","","","","has coordinates,has Fobs","188961","2020-10-21","18:00:00",""
"2241971","3.9601","0.0008","7.5102","0.0015","22.35","0.005","90","","94.32","0.03","90","","662.8","0.2","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","2-(Chloroselanyl)pyridine 1-oxide","","- C5 H4 Cl N O Se -","- C5 H4 Cl N O Se -","- C20 H16 Cl4 N4 O4 Se4 -","4","1","SU5337","Askerov, Rizvan K.; Matsulevich, Zhanna V.; Borisova, Galina N.; Zalepkina, Svetlana A.; Smirnov, Vasiliy F.; Grishina, Maria M.; Dorovatovskii, Pavel V.; Borisov, Alexander V.; Khrustalev, Victor N.","The synthesis and crystal structure of 2-(chloroselanyl)pyridine 1-oxide: the first monomeric organoselenenyl chloride stabilized by an intramolecular secondary Se···O interaction","Acta Crystallographica Section E","2016","72","12","1864","1866","10.1107/S2056989016018946","","","0.9699","synchrotron","","0.0834","0.0741","","","0.1633","0.1753","","","","","","1.009","","","","has coordinates,has Fobs","188962","2020-10-21","18:00:00",""
"2241972","10.2155","0.001","11.3645","0.0011","13.5252","0.0013","90","","101.141","0.002","90","","1540.6","0.3","297","2","297","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","1-(2-Bromophenyl)-2-chloro-3-(2-chloracetyl)-1<i>H</i>-indole","","- C16 H10 Br Cl2 N O -","- C16 H10 Br Cl2 N O -","- C64 H40 Br4 Cl8 N4 O4 -","4","1","LH5827","Zhang, Ting-ting; Wang, Bing; Lu, Qing; Zhao, Jun-fang; Lei, Hong; Fang, Qi","Synthesis and structure of 1-(2-bromophenyl)-2-chloro-3-(2-chloracetyl)-1<i>H</i>-indole","Acta Crystallographica Section E","2016","72","12","1867","1871","10.1107/S2056989016018880","","","0.71073","MoKα","","0.0549","0.0319","","","0.0814","0.0862","","","","","","0.936","","","","has coordinates,has disorder,has Fobs","188963","2020-10-21","18:00:00",""
"2300576","11.6416","0.0004","11.6416","0.0004","16.4524","0.0009","90","","90","","90","","2229.74","0.16","473","","473","","","","","","","","","3","I 41/a :2","-I 4ad","88","","","","- Mo4 O23.12 Sr11 -","- Mo4 O23.12 Sr11 -","- Mo16 O92.48 Sr44 -","4","0.25","","López, Carlos A.; Pedregosa, José C.; Fernández-Díaz, María T.; Alonso, José A.","High-temperature dynamic octahedral tilting in the ionic conductor Sr~11~Mo~4~O~23~","Journal of Applied Crystallography","2016","49","1","78","84","10.1107/S160057671502261X","powder diffraction","","1.594","ConstantWavelengthNeutronDiffraction","","","","","","","","","8.5682","3.5825","","","","","","","has coordinates,has Fobs","176657","2020-10-21","18:00:00",""
"2300577","11.6696","0.0004","11.6696","0.0004","16.4869","0.0009","90","","90","","90","","2245.18","0.16","673","","673","","","","","","","","","3","I 41/a :2","-I 4ad","88","","","","- Mo4 O23.16 Sr11 -","- Mo4 O23.16 Sr11 -","- Mo16 O92.64 Sr44 -","4","0.25","","López, Carlos A.; Pedregosa, José C.; Fernández-Díaz, María T.; Alonso, José A.","High-temperature dynamic octahedral tilting in the ionic conductor Sr~11~Mo~4~O~23~","Journal of Applied Crystallography","2016","49","1","78","84","10.1107/S160057671502261X","powder diffraction","","1.594","ConstantWavelengthNeutronDiffraction","","","","","","","","","7.0763","3.1381","","","","","","","has coordinates,has Fobs","176657","2020-10-21","18:00:00",""
"2300578","11.7075","0.0003","11.7075","0.0003","16.5548","0.0008","90","","90","","90","","2269.09","0.14","873","","873","","","","","","","","","3","I 41/a :2","-I 4ad","88","","","","- Mo4 O21.84 Sr11 -","- Mo4 O21.84 Sr11 -","- Mo16 O87.36 Sr44 -","4","0.25","","López, Carlos A.; Pedregosa, José C.; Fernández-Díaz, María T.; Alonso, José A.","High-temperature dynamic octahedral tilting in the ionic conductor Sr~11~Mo~4~O~23~","Journal of Applied Crystallography","2016","49","1","78","84","10.1107/S160057671502261X","powder diffraction","","1.594","ConstantWavelengthNeutronDiffraction","","","","","","","","","11.1079","2.9203","","","","","","","has coordinates,has Fobs","176657","2020-10-21","18:00:00",""
"2300579","11.7466","0.0003","11.7466","0.0003","16.6088","0.0008","90","","90","","90","","2291.73","0.14","1073","","1073","","","","","","","","","3","I 41/a :2","-I 4ad","88","","","","- Mo4 O21.92 Sr11 -","- Mo4 O21.92 Sr11 -","- Mo16 O87.68 Sr44 -","4","0.25","","López, Carlos A.; Pedregosa, José C.; Fernández-Díaz, María T.; Alonso, José A.","High-temperature dynamic octahedral tilting in the ionic conductor Sr~11~Mo~4~O~23~","Journal of Applied Crystallography","2016","49","1","78","84","10.1107/S160057671502261X","powder diffraction","","1.594","ConstantWavelengthNeutronDiffraction","","","","","","","","","10.7211","2.651","","","","","","","has coordinates,has Fobs","176657","2020-10-21","18:00:00",""
"2300613","10.1252","0.0014","10.1252","0.0014","8.8687","0.0018","90","","90","","120","","787.4","0.2","296","2","296","2","","","","","","","","4","R 3 m :H","R 3 -2""","160","","","","- B6 Br K3 O10 -","- B6 Br K3 O10 -","- B18 Br3 K9 O30 -","3","0.166667","","Xia, Mingjun; Xu, Bo; Liu, Lijuan; Wang, Xiaoyang; Li, Rukang; Chen, Chuangtian","Thermo-physical properties of nonlinear optical crystal K~3~B~6~O~10~Br","Journal of Applied Crystallography","2016","49","2","539","543","10.1107/S1600576716001126","","","0.71073","MoKα","","0.0194","0.0194","","","0.0449","0.0449","","","","","","1.184","","","","has coordinates,has Fobs","181477","2020-10-21","18:00:00",""
"2300614","8.392","0.001","8.392","0.001","5.561","0.001","90","","90","","90","","391.64","0.1","300","","300","","","","","","","","","4","P -4 21 m","P -4 2ab","113","","","","- Ba2 Co Ge2 O7 -","- Ba2 Co Ge2 O7 -","- Ba4 Co2 Ge4 O14 -","2","0.25","","Sazonov, Andrew; Meven, Martin; Roth, Georg; Georgii, Robert; Kézsmárki, István; Kocsis, Vilmos; Tokunaga, Yusuke; Taguchi, Yasujiro; Tokura, Yoshinori; Hutanu, Vladimir","Origin of forbidden reflections in multiferroic Ba~2~CoGe~2~O~7~ by neutron diffraction: symmetry lowering or Renninger effect?","Journal of Applied Crystallography","2016","49","2","556","560","10.1107/S1600576716002405","","neutron","0.793","Neutron","","0.0164","0.0164","","","0.042","0.042","","","","1.68","1.68","1.68","","","","has coordinates,has Fobs","181478","2020-10-21","18:00:00",""
"2300619","4.5622","0.0003","4.5622","0.0003","4.5622","0.0003","90","","90","","90","","94.956","0.011","293","2","293","2","","","","","","","","2","P 21 3","P 2ac 2ab 3","198","","","","- Mn Si -","- Mn Si -","- Mn4 Si4 -","4","0.333333","","Dyadkin, Vadim; Wright, Jon; Pattison, Philip; Chernyshov, Dmitry","Probing structural chirality with high-energy synchrotron radiation","Journal of Applied Crystallography","2016","49","3","918","922","10.1107/S1600576716006282","","","0.68894","synchrotron","","0.0355","0.0355","","","0.0743","0.0743","","","","","","1.336","","","","has coordinates,has Fobs","183647","2020-10-21","18:00:00",""
"2300620","4.5662","0.0001","4.5662","0.0001","4.5662","0.0001","90","","90","","90","","95.206","0.004","293","2","293","2","","","","","","","","2","P 21 3","P 2ac 2ab 3","198","","","","- Mn Si -","- Mn Si -","- Mn4 Si4 -","4","0.333333","","Dyadkin, Vadim; Wright, Jon; Pattison, Philip; Chernyshov, Dmitry","Probing structural chirality with high-energy synchrotron radiation","Journal of Applied Crystallography","2016","49","3","918","922","10.1107/S1600576716006282","","","0.158","","","0.0151","0.0146","","","0.0369","0.0374","","","","","","1.08","","","","has coordinates,has Fobs","183647","2020-10-21","18:00:00",""
"2300621","4.4732","0.0005","4.4732","0.0005","4.4732","0.0005","90","0.01","90","0.01","90","0.01","89.507","0.017","120","1","120","5","","","","","","","","3","P 21 3","P 2ac 2ab 3","198","","","","- Co0.3 Fe0.7 Si -","- Co0.3 Fe0.6999 Si -","- Co1.2 Fe2.7996 Si4 -","4","0.333333","","Dyadkin, Vadim; Wright, Jon; Pattison, Philip; Chernyshov, Dmitry","Probing structural chirality with high-energy synchrotron radiation","Journal of Applied Crystallography","2016","49","3","918","922","10.1107/S1600576716006282","","","0.19","","","0.024","0.0236","","","0.0614","0.0617","","","","","","1.055","","","","has coordinates,has Fobs","183647","2020-10-21","18:00:00",""
"2300622","8.6068","","5.6226","","4.3728","","90","","90","","90","","211.611","","293","","293","","","","","","","","","3","P m m a","-P 2a 2a","51","","","","- Mn1.52 Ni2 Sn0.48 -","- Mn1.52 Ni2 Sn0.48 -","- Mn6.08 Ni8 Sn1.92 -","4","0.5","","Lin, Chunqing; Yan, Haile; Zhang, Yudong; Esling, Claude; Zhao, Xiang; Zuo, Liang","Crystal structure of modulated martensite and crystallographic correlations between martensite variants of Ni~50~Mn~38~Sn~12~ alloy","Journal of Applied Crystallography","2016","49","4","1276","1283","10.1107/S1600576716010372","powder diffraction","","1.5418","RigakuSmartLab","","0.0735","","","","","","","","3.59","","","","","","","has coordinates,has Fobs","208743","2020-10-21","18:00:00",""
"2300623","7.9986","0.0005","8.2984","0.0008","13.55","0.0009","90","","90","","90","","899.39","0.12","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C6 H16 Br N -","- C6 H16 Br N -","- C24 H64 Br4 N4 -","4","1","EI5011","Yadav, Harsh; Sinha, Nidhi; Goel, Sahil; Hussain, Abid; Kumar, Binay","Growth and structural and physical properties of diisopropylammonium bromide molecular single crystals","Journal of Applied Crystallography","2016","49","6","2053","2062","10.1107/S1600576716014552","","","0.71073","MoKα","","0.0796","0.0512","","","0.0943","0.1057","","","","","","1.129","","","","has coordinates,has Fobs","188959","2020-10-21","18:00:00",""
"2300624","11.6771","0.0002","29.1114","0.0004","9.36146","0.00016","90","","109.21","0.002","90","","3005.11","0.09","293","","293","","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C32 H39 Cl N2 O6 -","- C32 H39 Cl N2 O6 -","- C128 H156 Cl4 N8 O24 -","4","1","KC5042","Rohlíček, Jan; Skořepová, Eliška; Babor, Martin; Čejka, Jan","<i>CrystalCMP</i>: an easy-to-use tool for fast comparison of molecular packing","Journal of Applied Crystallography","2016","49","6","2172","2183","10.1107/S1600576716016058","powder diffraction","x-ray","1.5418","CuKα","","0.0572","0.0572","","0.0686","0.0686","","","","2.99","","","","","","","has coordinates,has Fobs","194474","2020-10-21","18:00:00",""
"2300625","15.64921","0.00016","19.57407","0.00017","9.67099","0.00009","90","","102.129","0.001","90","","2896.28","0.05","190","","190","","","","101","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C32 H36 Cl N O5 -","- C32 H36 Cl N O5 -","- C128 H144 Cl4 N4 O20 -","4","1","KC5042","Rohlíček, Jan; Skořepová, Eliška; Babor, Martin; Čejka, Jan","<i>CrystalCMP</i>: an easy-to-use tool for fast comparison of molecular packing","Journal of Applied Crystallography","2016","49","6","2172","2183","10.1107/S1600576716016058","","","1.54184","CuKα","","0.0512","0.0474","","0.1329","0.1268","0.1329","","","","","","0.9763","","","","has coordinates,has Fobs","188929","2020-10-21","18:00:00",""
"2300626","14.912","0.003","9.4993","0.0016","19.407","0.003","90","","112.594","0.0011","90","","2538.1","0.8","150","","150","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C28 H36 Cl N O4 -","- C28 H36 Cl N O4 -","- C112 H144 Cl4 N4 O16 -","4","1","KC5042","Rohlíček, Jan; Skořepová, Eliška; Babor, Martin; Čejka, Jan","<i>CrystalCMP</i>: an easy-to-use tool for fast comparison of molecular packing","Journal of Applied Crystallography","2016","49","6","2172","2183","10.1107/S1600576716016058","","","1.5418","CuKα","","0.1163","0.0618","","0.1785","0.1561","0.1785","","","","","","0.9999","","","","has coordinates,has Fobs","188929","2020-10-21","18:00:00",""
"2300627","14.2061","0.0004","12.6581","0.0003","17.5097","0.0004","90","","113.36","0.003","90","","2890.55","0.14","190","","190","","","","101","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C32 H36 N2 O7 S -","- C32 H36 N2 O7 S -","- C128 H144 N8 O28 S4 -","4","1","KC5042","Rohlíček, Jan; Skořepová, Eliška; Babor, Martin; Čejka, Jan","<i>CrystalCMP</i>: an easy-to-use tool for fast comparison of molecular packing","Journal of Applied Crystallography","2016","49","6","2172","2183","10.1107/S1600576716016058","","","1.54184","CuKα","","0.0555","0.041","","0.1125","0.0982","0.1125","","","","","","0.9347","","","","has coordinates,has disorder,has Fobs","188929","2020-10-21","18:00:00",""
"2300628","13.2637","0.0002","12.7583","0.0002","17.5667","0.0004","90","","107.448","0.002","90","","2835.9","0.09","190","","190","","","","101","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C32 H36 N2 O7 S -","- C32 H36 N2 O7 S -","- C128 H144 N8 O28 S4 -","4","1","KC5042","Rohlíček, Jan; Skořepová, Eliška; Babor, Martin; Čejka, Jan","<i>CrystalCMP</i>: an easy-to-use tool for fast comparison of molecular packing","Journal of Applied Crystallography","2016","49","6","2172","2183","10.1107/S1600576716016058","","","1.54184","CuKα","","0.0542","0.0528","","0.1347","0.1317","0.1347","","","","","","0.918","","","","has coordinates,has Fobs","188929","2020-10-21","18:00:00",""
"2311081","7.578","0.012","11.176","0.002","13.991","0.013","90","","93.08","0.06","90","","1183","2","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C15 H12 N2 O -","- C15 H12 N2 O -","- C60 H48 N8 O4 -","4","1","","van Genderen, E.; Clabbers, M. T. B.; Das, P. P.; Stewart, A.; Nederlof, I.; Barentsen, K. C.; Portillo, Q.; Pannu, N. S.; Nicolopoulos, S.; Gruene, T.; Abrahams, J. P.","<i>Ab initio</i> structure determination of nanocrystals of organic pharmaceutical compounds by electron diffraction at room temperature using a Timepix quantum area direct electron detector","Acta Crystallographica Section A","2016","72","2","236","242","10.1107/S2053273315022500","","","0.02508","electron","","0.2803","0.2545","","","0.5435","0.5564","","","","","","2.113","","","","has coordinates,has Fobs","195238","2020-10-21","18:00:00",""
"2311082","7.303","0.011","11.693","0.002","7.33","0.03","90","","113.68","0.14","90","","573","3","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C6 H5 N O2 -","- C6 H5 N O2 -","- C24 H20 N4 O8 -","4","1","","van Genderen, E.; Clabbers, M. T. B.; Das, P. P.; Stewart, A.; Nederlof, I.; Barentsen, K. C.; Portillo, Q.; Pannu, N. S.; Nicolopoulos, S.; Gruene, T.; Abrahams, J. P.","<i>Ab initio</i> structure determination of nanocrystals of organic pharmaceutical compounds by electron diffraction at room temperature using a Timepix quantum area direct electron detector","Acta Crystallographica Section A","2016","72","2","236","242","10.1107/S2053273315022500","","","0.02508","electron","","0.3459","0.3026","","","0.6088","0.6385","","","","","","2.27","","","","has coordinates,has Fobs","195238","2020-10-21","18:00:00",""
"2311083","7.576","0.012","11.188","0.002","13.967","0.013","90","","87.03","0.06","90","","1182","2","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C15 H12 N2 O -","- C15 H12 N2 O -","- C60 H48 N8 O4 -","4","1","","van Genderen, E.; Clabbers, M. T. B.; Das, P. P.; Stewart, A.; Nederlof, I.; Barentsen, K. C.; Portillo, Q.; Pannu, N. S.; Nicolopoulos, S.; Gruene, T.; Abrahams, J. P.","<i>Ab initio</i> structure determination of nanocrystals of organic pharmaceutical compounds by electron diffraction at room temperature using a Timepix quantum area direct electron detector","Acta Crystallographica Section A","2016","72","2","236","242","10.1107/S2053273315022500","","","0.02508","electron","","0.4316","0.4054","","","0.698","0.7106","","","","","","2.507","","","","has coordinates,has Fobs","195238","2020-10-21","18:00:00",""
"2311084","7.41","0.03","11.692","0.002","7.377","0.011","90","","114.45","0.14","90","","582","3","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C6 H5 N O2 -","- C6 H5 N O2 -","- C24 H20 N4 O8 -","4","1","","van Genderen, E.; Clabbers, M. T. B.; Das, P. P.; Stewart, A.; Nederlof, I.; Barentsen, K. C.; Portillo, Q.; Pannu, N. S.; Nicolopoulos, S.; Gruene, T.; Abrahams, J. P.","<i>Ab initio</i> structure determination of nanocrystals of organic pharmaceutical compounds by electron diffraction at room temperature using a Timepix quantum area direct electron detector","Acta Crystallographica Section A","2016","72","2","236","242","10.1107/S2053273315022500","","","0.02508","electron","","0.4019","0.3371","","","0.6328","0.6754","","","","","","2.216","","","","has coordinates,has Fobs","195238","2020-10-21","18:00:00",""
"2311085","7.68","","11.44","","13.92","","90","","91.22","","90","","1222.72","","293","2","293","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C15 H12 N2 O -","- C15 H12 N2 O -","- C60 H48 N8 O4 -","4","1","TD5026","van Genderen, E.; Clabbers, M. T. B.; Das, P. P.; Stewart, A.; Nederlof, I.; Barentsen, K. C.; Portillo, Q.; Pannu, N. S.; Nicolopoulos, S.; Gruene, T.; Abrahams, J. P.","<i>Ab initio</i> structure determination of nanocrystals of organic pharmaceutical compounds by electron diffraction at room temperature using a Timepix quantum area direct electron detector","Acta Crystallographica Section A","2016","72","2","236","242","10.1107/S2053273315022500","","","0.02508","electron","","0.389","0.389","","","0.369","0.369","","","1.366","","","","","","","has coordinates,has Fobs","181466","2020-10-21","18:00:00",""
"2311086","5.578","0.0006","5.578","0.0006","4.686","0.0007","90","","90","","90","","145.8","0.03","293","2","293","2","","","","","","","","4","P -4 21 m","P -4 2ab","113","","","","- C H4 N2 O -","- C H4 N2 O -","- C2 H8 N4 O2 -","2","0.25","","Hoser, Anna A.; Madsen, Anders Ø.","Dynamic quantum crystallography: lattice-dynamical models refined against diffraction data. I. Theory","Acta Crystallographica Section A","2016","72","2","206","214","10.1107/S2053273315024699","","","0.5996","","","0.0512","0.0406","","","0.158","0.1581","","","","","","1.267","","","","has coordinates","219800","2020-10-21","18:00:00",""
"2311093","6.6123","0.0002","8.7948","0.0003","5.41074","0.00015","92.603","0.002","94.0843","0.0018","71.3262","0.0018","297.249","0.016","293","","293","","","","","","","","","4","P -1","-P 1","2","","sodium hafnium disilicate","","- Hf Na2 O7 Si2 -","- Hf Na2 O7 Si2 -","- Hf2 Na4 O14 Si4 -","2","1","","Massoni, Nicolas; Pierrick, Chevreux","Crystal structure of Na~2~HfSi~2~O~7~ by Rietveld refinement","Acta Crystallographica, Section e","2016","72","","1434","","10.1107/S2056989016014225","powder diffraction","","1.54176","CuKα~1~","","0.0236","0.0236","","0.0297","0.0297","","","","2.23","","","2.23","","","","has coordinates","207162","2020-10-21","18:00:00",""
"2311330","5.99933","0.00018","8.2277","0.0002","10.1419","0.0003","74.8964","0.0019","76.019","0.002","71.4496","0.0014","451.27","0.02","300","","300","","","","","","","","","5","P -1","-P 1","2","Sodium potassium hydrogen citrate","sodium potassium hydrogen citrate","","- C6 H6 K Na O7 -","- C6 H6 K Na O7 -","- C12 H12 K2 Na2 O14 -","2","1","BR2256","Rammohan, Alagappa; Kaduk, James A.","Sodium potassium hydrogen citrate, NaKHC6H5O7.","Acta crystallographica. Section E, Crystallographic communications","2016","72","Pt 2","170","173","10.1107/S2056989016000232","powder diffraction","","1.54063","Kα~1~","","","","","","","","","","2.01","","","","","","","has coordinates","245800","2020-10-21","18:00:00",""
"2311331","5.9993","","8.2277","","10.1419","","74.8964","","76.0187","","71.4496","","451.264","","","","","","","","","","","","","5","P -1","-P 1","2","","","","- C6 H6 K Na O7 -","- C6 H6 K Na O7 -","- C12 H12 K2 Na2 O14 -","2","1","","Rammohan, Alagappa; Kaduk, James A.","Sodium potassium hydrogen citrate, NaKHC6H5O7.","Acta crystallographica. Section E, Crystallographic communications","2016","72","Pt 2","170","173","10.1107/S2056989016000232","","","","","","","","","","","","","","","","","","","","","has coordinates","245800","2020-10-21","18:00:00",""
"2311332","5.51284","0.00012","7.62583","0.00013","11.37121","0.00014","83.4276","0.0017","88.991","0.002","84.3488","0.0016","472.586","0.014","300","","300","","","","","","","","","5","P -1","-P 1","2","sodium dipotassium citrate","Sodium dipotassium citrate","","- C6 H5 K2 Na O7 -","- C6 H5 K2 Na O7 -","- C12 H10 K4 Na2 O14 -","2","1","CV5503","Rammohan, Alagappa; Kaduk, James A.","Sodium dipotassium citrate, NaK2C6H5O7.","Acta crystallographica. Section E, Crystallographic communications","2016","72","Pt 3","403","406","10.1107/S2056989016002966","powder diffraction","","1.54063","Kα~1~","","","","","","","","","","1.75","","","","","","","has coordinates","245801","2020-10-21","18:00:00",""
"2311333","5.5128","","7.6258","","11.3712","","83.4276","","88.991","","84.3488","","472.58","","300","","","","","","","","","","","5","P -1","-P 1","2","","","","- C6 H5 K2 Na O7 -","- C6 H5 K2 Na O7 -","- C12 H10 K4 Na2 O14 -","2","1","","Rammohan, Alagappa; Kaduk, James A.","Sodium dipotassium citrate, NaK2C6H5O7.","Acta crystallographica. Section E, Crystallographic communications","2016","72","Pt 3","403","406","10.1107/S2056989016002966","","","","","","","","","","","","","","","","","","","","","has coordinates","245801","2020-10-21","18:00:00",""
"2311334","5.2454","0.0005","15.386","0.0014","19.042","0.003","90","","90.927","0.01","90","","1536.6","0.3","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","4-[(1-Benzyl-1<i>H</i>-1,2,3-triazol-4-yl)methoxy]benzene-1,2-dicarbonitrile","","- C18 H13 N5 O -","- C18 H13 N5 O -","- C72 H52 N20 O4 -","4","1","HB7573","Shamsudin, Norzianah; Tan, Ai Ling; Young, David J.; Jotani, Mukesh M.; Otero-de-la-Roza, A; Tiekink, Edward R. T.","4-[(1-Benzyl-1H-1,2,3-triazol-4-yl)meth-oxy]benzene-1,2-dicarbo-nitrile: crystal structure, Hirshfeld surface analysis and energy-minimization calculations.","Acta crystallographica. Section E, Crystallographic communications","2016","72","Pt 4","563","569","10.1107/S2056989016004722","","","0.71073","MoKα","","0.1146","0.0565","","","0.1056","0.1357","","","","","","1.07","","","","has coordinates","245802","2020-10-21","18:00:00",""
"2311335","18.343","0.004","7.9591","0.0016","19.68","0.004","90","","114.65","0.03","90","","2611.3","1.1","200","","200","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","4-Amino-5-fluoro-1,2-dihydropyrimidin-2-one‒1,3,5-triazine-2,4,6-triamine (4/1)","","- C19 H22 F4 N18 O4 -","- C19 H22 F4 N18 O4 -","- C76 H88 F16 N72 O16 -","4","0.5","HG5470","Mohana, Marimuthu; Muthiah, Packianathan Thomas; Sanjeewa, Liurukara D.; McMillen, Colin D.","Hydrogen-bonding patterns in 5-fluoro-cytosine-melamine co-crystal (4/1).","Acta crystallographica. Section E, Crystallographic communications","2016","72","Pt 4","552","555","10.1107/S205698901600476X","","","0.71073","MoKα","","0.0478","0.0449","","","0.1176","0.1227","","","","","","1.065","","","","has coordinates","245803","2020-10-21","18:00:00",""
"2311336","5.8403","0.0005","16.3195","0.0013","17.3615","0.0014","90","","90","","90","","1654.7","0.2","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","1-{4-Hydroxy-3-[(pyrrolidin-1-yl)methyl]phenyl}-3-phenylprop-2-en-1-one","","- C20 H21 N O2 -","- C20 H21 N O2 -","- C80 H84 N4 O8 -","4","1","HB7576","Aydın, Abdullah; Akkurt, Mehmet; Gul, Halise Inci; Yerdelen, Kadir Ozden; Celik, Raziye Catak","Crystal structure of 1-{4-hy-droxy-3-[(pyrrolidin-1-yl)meth-yl]phen-yl}-3-phenyl-prop-2-en-1-one.","Acta crystallographica. Section E, Crystallographic communications","2016","72","Pt 5","696","698","10.1107/S2056989016006009","","","0.71073","MoKα","","0.0491","0.0426","","","0.1122","0.1175","","","","","","1.034","","","","has coordinates","245804","2020-10-21","18:00:00",""
"2311337","4.0548","0.0009","4.0548","0.0009","13.37","0.003","90","","90","","90","","219.82","0.08","300","2","300","2","","","","","","","","6","P 4/n m m :2","-P 4a 2a","129","","Lanthanum calcium bismuth oxide fluoride disulfide","","- Bi0.857 Ca0.143 F0.143 La O0.857 S2 -","- Bi0.857 Ca0.143 F0.143 La O0.857 S2 -","- Bi1.714 Ca0.286 F0.286 La2 O1.714 S4 -","2","0.125","","Huang, Rongtie; Zhang, Hui; Wang, Dong; Cai, Chuanbing; Huang, Fuqiang","Crystal structure and magnetic properties of LaCa0.143 (4)O0.857 (4)F0.143 (4)Bi0.857 (4)S2.","Acta crystallographica. Section E, Crystallographic communications","2016","72","Pt 6","845","848","10.1107/S2056989016008082","","","0.71073","MoKα","","0.02","0.0197","","","0.0489","0.0524","","","","","","1.305","","","","has coordinates","245805","2020-10-21","18:00:00",""
"2311338","14.0915","0.0011","15.8984","0.0012","11.2964","0.0007","90","","95.421","0.002","90","","2519.4","0.3","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","[(1<i>R</i>,2<i>S</i>,3<i>R</i>,4<i>S</i>,6<i>S</i>)-2,6-Bis(furan-2-yl)-4-hydroxy-4-(thiophen-2-yl)cyclohexane-1,3-diyl]bis(thiophen-2-ylmethanone)","","- C28 H22 O5 S3 -","- C28 H22 O5 S3 -","- C112 H88 O20 S12 -","4","1","SJ5500","Çelik, Ísmail; Ersanlı, Cem Cüneyt; Akkurt, Mehmet; Gezegen, Hayrettin; Köseoğlu, Rahmi","Crystal structure of racemic [(1R,2S,3R,4S,6S)-2,6-bis-(furan-2-yl)-4-hy-droxy-4-(thio-phen-2-yl)cyclo-hexane-1,3-di-yl]bis-(thio-phen-2-yl-methanone).","Acta crystallographica. Section E, Crystallographic communications","2016","72","Pt 7","976","979","10.1107/S2056989016009452","","","0.71073","MoKα","","0.1142","0.066","","","0.1746","0.204","","","","","","1.037","","","","has coordinates,has disorder","245806","2020-10-21","18:00:00",""
"2311339","9.1877","0.0004","13.6779","0.0005","20.3185","0.0008","104.027","0.003","97.256","0.003","109.576","0.003","2273.13","0.17","200","2","200","2","","","","","","","","6","P -1","-P 1","2","","Tetrakis(isonicotinamide-κ<i>N</i>)bis(thiocyanato-κ<i>N</i>)cobalt(II)‒isonicotinamide‒ethanol (1/2/1)","","- C40 H42 Co N14 O7 S2 -","- C40 H42 Co N14 O7 S2 -","- C80 H84 Co2 N28 O14 S4 -","2","1","WM5305","Neumann, Tristan; Jess, Inke; Näther, Christian","Crystal structure of tetra-kis-(isonicotinamide-κN)bis-(thio-cyanato-κN)cobalt(II)-isonicotinamide-ethanol (1/2/1).","Acta crystallographica. Section E, Crystallographic communications","2016","72","Pt 8","1077","1080","10.1107/S2056989016010951","","","0.71073","MoKα","","0.0701","0.0541","","","0.1346","0.142","","","","","","1.098","","","","has coordinates,has disorder","245807","2020-10-21","18:00:00",""
"2311340","9.4578","0.0002","19.291","0.0006","22.2114","0.0005","90","","90","","90","","4052.48","0.18","153","2","153","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","Bis(η^5^-cyclopentadienyl)(3-cyclopropyl-<i>N</i>,<i>N</i>'-diisopropylpropynamidinato-κ^2^<i>N</i>,<i>N</i>')ytterbium(III)","","- C22 H29 N2 Yb -","- C22 H29 N2 Yb -","- C176 H232 N16 Yb8 -","8","1","ZL2671","Wang, Sida; Sroor, Farid M.; Liebing, Phil; Lorenz, Volker; Hilfert, Liane; Edelmann, Frank T.","Crystal structures of two ytterbium(III) complexes comprising alkynylamidinate ligands.","Acta crystallographica. Section E, Crystallographic communications","2016","72","Pt 9","1229","1233","10.1107/S2056989016012135","","","0.71073","MoKα","","0.0291","0.0184","","","0.0379","0.0399","","","","","","0.976","","","","has coordinates","245808","2020-10-21","18:00:00",""
"2311341","20.3469","0.0003","20.3469","0.0003","50.3074","0.0011","90","","90","","120","","18036.8","0.5","153","2","153","2","","","","","","","","4","R -3 c :H","-R 3 2""c","167","","Tris(3-phenyl-<i>N</i>,<i>N</i>'-dicyclohexylpropynamidinato-κ^2^<i>N</i>,<i>N</i>')ytterbium(III)","","- C63 H81 N6 Yb -","- C63 H81 N6 Yb -","- C756 H972 N72 Yb12 -","12","0.333333","","Wang, Sida; Sroor, Farid M.; Liebing, Phil; Lorenz, Volker; Hilfert, Liane; Edelmann, Frank T.","Crystal structures of two ytterbium(III) complexes comprising alkynylamidinate ligands.","Acta crystallographica. Section E, Crystallographic communications","2016","72","Pt 9","1229","1233","10.1107/S2056989016012135","","","0.71073","MoKα","","0.0404","0.0289","","","0.0663","0.0712","","","","","","1.067","","","","has coordinates,has disorder","245808","2020-10-21","18:00:00",""
"2311342","10.11944","0.00009","8.25445","0.00008","33.8907","0.0003","90","","97.8676","0.0004","90","","2804.26","0.04","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1,3-Bis(3-<i>tert</i>-butyl-2-hydroxy-5-methylbenzyl)-1,3-diazinan-5-ol monohydrate","","- C28 H44 N2 O4 -","- C28 H44 N2 O4 -","- C112 H176 N8 O16 -","4","1","SJ5503","Rivera, Augusto; Miranda-Carvajal, Ingrid; Ríos-Motta, Jaime; Bolte, Michael","Crystal structure of 1,3-bis-(3-<i>tert</i>-butyl-2-hy-droxy-5-methyl-benz-yl)-1,3-diazinan-5-ol monohydrate.","Acta crystallographica. Section E, Crystallographic communications","2016","72","Pt 9","1353","1355","10.1107/S2056989016013645","","","1.54187","CuKα","","0.0838","0.0786","","","0.2015","0.2066","","","","","","1.07","","","","has coordinates,has disorder","245809","2020-10-21","18:00:00",""
"2311343","8.8587","0.0005","22.1427","0.0008","7.1657","0.0002","90","","108.497","0.003","90","","1332.98","0.1","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","3-(2-Hydroxyethyl)-2-methylsulfanyl-6-nitro-3<i>H</i>-benzimidazol-1-ium chloride monohydrate","","- C10 H14 Cl N3 O4 S -","- C10 H14 Cl N3 O4 S -","- C40 H56 Cl4 N12 O16 S4 -","4","1","","Abou, Akoun; Coulibali, Siomenan; Kakou-Yao, Rita; Zoueu, T Jérémie; Tenon, A. Jules","Crystal structure of 3-(2-hy-droxy-eth-yl)-2-methyl-sulfanyl-6-nitro-3<i>H</i>-benzimidazol-1-ium chloride monohydrate.","Acta crystallographica. Section E, Crystallographic communications","2016","72","Pt 9","1356","1359","10.1107/S2056989016013657","","","0.71073","MoKα","","0.0545","0.0374","","","0.0972","0.1099","","","","","","1.057","","","","has coordinates","245810","2020-10-21","18:00:00",""
"2311344","7.1114","0.0004","16.3899","0.0012","32.812","0.002","90","","90","","90","","3824.4","0.4","296","2","296","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","3,4a,7,7,10a-Pentamethyl-3-vinyldodecahydro-1<i>H</i>-benzo[<i>f</i>]chromen-9-ol","","- C20 H34 O2 -","- C20 H34 O2 -","- C160 H272 O16 -","8","2","BG2593","Çelik, Ísmail; Ersanlı, Cem Cüneyt; Köseoğlu, Rahmi; Akşit, Hüseyin; Erenler, Ramazan; Demirtaş, Ibrahim; Akkurt, Mehmet","Crystal structure of 3,4a,7,7,10a-penta-methyl-3-vinyl-dodeca-hydro-1<i>H</i>-benzo[<i>f</i>]chromen-9-ol isolated from <i>Sideritis perfoliata</i>.","Acta crystallographica. Section E, Crystallographic communications","2016","72","Pt 10","1380","1382","10.1107/S2056989016013864","","","0.71073","MoKα","","0.134","0.0603","","","0.1089","0.1296","","","","","","1.021","","","","has coordinates","245811","2020-10-21","18:00:00",""
"2311345","11.9028","0.0005","32.2189","0.0014","35.5223","0.0015","90","","90","","90","","13622.6","1","100","2","100","2","","","","","","","","4","C c c a :2","-C 2a 2ac","68","","1-Phenylimido-1-{6-[1-(phenylimino)ethyl]pyridin-2-yl}ethan-1-yl-κ^3^<i>N</i>,<i>N</i>',<i>N</i>'')iron(II)","","- C42 H38 Fe N6 -","- C42 H38 Fe N6 -","- C672 H608 Fe16 N96 -","16","1","WM5324","Lau, Ka-Cheong; Filatov, Alexander S.; Jordan, Richard F.","Crystal structure of 1-phenyl-imido-1-{6-[1-(phenyl-imino)-eth-yl]pyridin-2-yl}ethan-1-yl-κ<sup>3</sup><i>N</i>,<i>N</i>',<i>N</i>'')iron(II).","Acta crystallographica. Section E, Crystallographic communications","2016","72","Pt 11","1595","1598","10.1107/S2056989016015528","","","0.71073","MoKα","","0.0667","0.0534","","","0.1218","0.1278","","","","","","1.193","","","","has coordinates","245812","2020-10-21","18:00:00",""
"2311346","11.0235","0.0004","20.5399","0.0009","12.9222","0.0005","90","","93.25","0.003","90","","2921.2","0.2","110","","110","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","(Nitrato-κ<i>O</i>)bis(1,10'-phenanthroline-κ^2^<i>N</i>,<i>N</i>')copper(II) nitrate gallic acid monosolvate monohydrate","","- C31 H24 Cu N6 O12 -","- C31 H24 Cu N6 O12 -","- C124 H96 Cu4 N24 O48 -","4","1","WM5328","Shen, Fwu Ming; Lush, Shie Fu","Crystal structure of (nitrato-κ<i>O</i>)bis-(1,10'-phenanthroline-κ<sup>2</sup><i>N</i>,<i>N</i>')copper(II) nitrate gallic acid monosolvate monohydrate.","Acta crystallographica. Section E, Crystallographic communications","2016","72","Pt 11","1577","1580","10.1107/S2056989016016066","","","0.71073","MoKα","","0.0633","0.0507","","","0.1282","0.1366","","","","","","1.101","","","","has coordinates","245813","2020-10-21","18:00:00",""
"2311686","9.6697","0.0016","5.2749","0.0009","12.063","0.002","90","","90.803","0.014","90","","615.23","0.18","298","","298","","","","","","","","","4","P 1 21 1","P 2yb","4","","L-valine","","- C5 H11 N O2 -","- C5 H11 N O2 -","- C20 H44 N4 O8 -","4","2","XK5024","Rychkov, Denis; Arkhipov, Sergey; Boldyreva, Elena","Structure-forming units of amino acid maleates. Case study of L-valinium hydrogen maleate.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2016","72","Pt 1","160","163","10.1107/S2052520615021022","","","0.71073","MoKα","","0.0912","0.037","","","0.061","0.0708","","","","","","0.783","","","","has coordinates","246083","2020-10-21","18:00:00",""
"2311687","5.7793","0.0008","7.5974","0.0011","12.9136","0.0017","90","","93.13","0.01","90","","566.16","0.14","298","","298","","","","","","","","","4","P 1 21 1","P 2yb","4","","L-valinium maleate","","- C9 H15 N O6 -","- C9 H15 N O6 -","- C18 H30 N2 O12 -","2","1","XK5024","Rychkov, Denis; Arkhipov, Sergey; Boldyreva, Elena","Structure-forming units of amino acid maleates. Case study of L-valinium hydrogen maleate.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2016","72","Pt 1","160","163","10.1107/S2052520615021022","","","0.71073","MoKα","","0.1017","0.0399","","","0.0543","0.0647","","","","","","0.769","","","","has coordinates","246083","2020-10-21","18:00:00",""
"2311688","7.1511","0.0008","10.1107","0.0011","7.6405","0.001","90","","119.405","0.008","90","","481.26","0.11","298","","298","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","maleic acid","","- C4 H4 O4 -","- C4 H4 O4 -","- C16 H16 O16 -","4","1","XK5024","Rychkov, Denis; Arkhipov, Sergey; Boldyreva, Elena","Structure-forming units of amino acid maleates. Case study of L-valinium hydrogen maleate.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2016","72","Pt 1","160","163","10.1107/S2052520615021022","","","0.71073","MoKα","","0.0784","0.0416","","","0.0944","0.1066","","","","","","0.842","","","","has coordinates","246083","2020-10-21","18:00:00",""
"2311689","3.6961","0.00004","3.96122","0.00005","13.85331","0.00019","90","","90","","90","","202.827","0.004","293","","293","","","","","","","","","2","P m c n","-P 2n 2a","62","","","","- Mo O3 -","- Mo O3 -","- Mo4 O12 -","4","0.5","BM5082","Sławiński, Wojciech A; Fjellvåg, Øystein S; Ruud, Amund; Fjellvåg, Helmer","A novel polytype - the stacking fault based γ-MoO3 nanobelts.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2016","72","Pt 2","201","208","10.1107/S2052520615024804","powder diffraction","x-ray","0.50566","","","0.0669","0.0624","","0.0649","0.0636","","","","1","","","","","","","has coordinates","246084","2020-10-21","18:00:00",""
"2311690","7.0603","0.0011","9.2687","0.0012","29.062","0.004","90","","90","","90","","1901.8","0.5","123","","123","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C8 H15 N O3 -","- C8 H15 N O3 -","- C64 H120 N8 O24 -","8","1","","Yajima, Tatsuo; Kimura, Makiko; Hori, Yoshihiro; Shiraiwa, Tadashi","Structures of N-acetyl-DL-isoleucine, N-acetyl-DL-alloisoleucine and their ammonium salts; role of ammonium ions in crystal structure formation.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2016","72","Pt 4","650","657","10.1107/S2052520616007319","","","0.71073","MoKα","","","0.0368","","","","0.1066","","","","","","1.062","","","","has coordinates","246085","2020-10-21","18:00:00",""
"2311691","11.6067","0.0006","12.8312","0.0005","13.3226","0.0005","90","","90","","90","","1984.11","0.15","123","","123","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C8 H15 N O3 -","- C8 H15 N O3 -","- C64 H120 N8 O24 -","8","1","","Yajima, Tatsuo; Kimura, Makiko; Hori, Yoshihiro; Shiraiwa, Tadashi","Structures of N-acetyl-DL-isoleucine, N-acetyl-DL-alloisoleucine and their ammonium salts; role of ammonium ions in crystal structure formation.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2016","72","Pt 4","650","657","10.1107/S2052520616007319","","","0.71073","MoKα","","","0.036","","","","0.0997","","","","","","1.063","","","","has coordinates","246085","2020-10-21","18:00:00",""
"2311692","7.907","0.004","5.843","0.003","23.633","0.01","90","","96.126","0.008","90","","1085.6","0.9","123","","123","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C8 H18 N2 O3 -","- C8 H18 N2 O3 -","- C32 H72 N8 O12 -","4","1","","Yajima, Tatsuo; Kimura, Makiko; Hori, Yoshihiro; Shiraiwa, Tadashi","Structures of N-acetyl-DL-isoleucine, N-acetyl-DL-alloisoleucine and their ammonium salts; role of ammonium ions in crystal structure formation.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2016","72","Pt 4","650","657","10.1107/S2052520616007319","","","0.71073","MoKα","","","0.0364","","","","0.098","","","","","","1.052","","","","has coordinates","246085","2020-10-21","18:00:00",""
"2311693","24.376","0.003","7.5507","0.0008","5.8064","0.0005","90","","90","","90","","1068.7","0.2","296","","296","","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C8 H18 N2 O3 -","- C8 H18 N2 O3 -","- C32 H72 N8 O12 -","4","1","","Yajima, Tatsuo; Kimura, Makiko; Hori, Yoshihiro; Shiraiwa, Tadashi","Structures of N-acetyl-DL-isoleucine, N-acetyl-DL-alloisoleucine and their ammonium salts; role of ammonium ions in crystal structure formation.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2016","72","Pt 4","650","657","10.1107/S2052520616007319","","","0.71073","MoKα","","","0.0551","","","","0.15","","","","","","1.022","","","","has coordinates","246085","2020-10-21","18:00:00",""
"2311694","15.9791","0.00003","15.9791","0.00003","5.58227","0.00002","90","","90","","120","","1234.37","0.006","90","","90","","","","","","","","","2","R -3 :H","-R 3","148","","Benzene:ethane co-crystal","","- C20 H24 -","- C20 H24 -","- C60 H72 -","3","0.166667","RA5013","Solovyov, Leonid A.","Accurate unrestrained DDM refinement of crystal structures from highly distorted and low-resolution powder diffraction data.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2016","72","Pt 5","738","743","10.1107/S2052520616011690","powder diffraction","x-ray","0.826","","","0.055","","","","","","","0.03191","1.19353","","","","","","","has coordinates","246086","2020-10-21","18:00:00",""
"2311695","3.81737","0.00006","9.60821","0.00016","13.36297","0.00024","94.2993","0.0006","91.7434","0.0006","91.7142","0.0007","488.268","0.014","298","","298","","","","","","","","","4","P -1","-P 1","2","","Bis(2-aminopyridinium) fumarate‒fumaric acid (1/1)","","- C18 H20 N4 O8 -","- C18 H20 N4 O8 -","- C18 H20 N4 O8 -","1","0.5","RA5013","Solovyov, Leonid A.","Accurate unrestrained DDM refinement of crystal structures from highly distorted and low-resolution powder diffraction data.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2016","72","Pt 5","738","743","10.1107/S2052520616011690","powder diffraction","x-ray","1.5406","","","0.03942","","","","","","","0.02784","1.73354","","","","","","","has coordinates","246086","2020-10-21","18:00:00",""
"2311850","11.9879","0.0004","19.1972","0.0006","17.072","0.0006","90","","90.542","0.003","90","","3928.7","0.2","175","","175","","","","","","","","","5","P 1 21 1","P 2yb","4","","<i>rac</i>-<i>N</i>-<i>tert</i>-Butyl-<i>N</i>',<i>N</i>''-dicyclohexyl-<i>N</i>''-methylphosphoric triamide","","- C17 H36 N3 O P -","- C17 H36 N3 O P -","- C136 H288 N24 O8 P8 -","8","4","FP3025","Keikha, Mojtaba; Pourayoubi, Mehrdad; Tarahhomi, Atekeh; van der Lee, Arie","Syntheses and structures of four new mixed-amide phosphoric triamides.","Acta crystallographica. Section C, Structural chemistry","2016","72","Pt 3","251","259","10.1107/S2053229616001595","","","0.71073","MoKα","","0.1133","0.096","","0.1199","0.1131","0.1184","","","","","","1.0883","","","","has coordinates,has disorder","246139","2020-10-21","18:00:00",""
"2311851","10.9207","0.0004","24.0557","0.0007","24.3993","0.0008","90","","98.98","0.003","90","","6331.3","0.4","175","","175","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","<i>rac</i>-<i>N</i>,<i>N</i>'-Dicyclohexyl-<i>N</i>'-methyl-<i>N</i>''-(<i>p</i>-tolyl)phosphoric triamide","","- C20 H34 N3 O P -","- C20 H34 N3 O P -","- C240 H408 N36 O12 P12 -","12","3","FP3025","Keikha, Mojtaba; Pourayoubi, Mehrdad; Tarahhomi, Atekeh; van der Lee, Arie","Syntheses and structures of four new mixed-amide phosphoric triamides.","Acta crystallographica. Section C, Structural chemistry","2016","72","Pt 3","251","259","10.1107/S2053229616001595","","","0.71073","MoKα","","0.0851","0.0577","","0.1577","0.1421","0.1515","","","","","","0.903","","","","has coordinates","246139","2020-10-21","18:00:00",""
"2311852","21.9179","0.001","8.9546","0.0004","20.3544","0.0014","90","","90","","90","","3994.9","0.4","175","","175","","","","","","","","","5","P n a 21","P 2c -2n","33","","<i>N</i>,<i>N</i>',<i>N</i>''-Tricyclohexyl-<i>N</i>''-methylphosphoric triamide","","- C19 H38 N3 O P2 -","- C19 H38 N3 O P -","- C152 H304 N24 O8 P8 -","8","2","FP3025","Keikha, Mojtaba; Pourayoubi, Mehrdad; Tarahhomi, Atekeh; van der Lee, Arie","Syntheses and structures of four new mixed-amide phosphoric triamides.","Acta crystallographica. Section C, Structural chemistry","2016","72","Pt 3","251","259","10.1107/S2053229616001595","","","0.71073","MoKα","","0.146","0.124","","0.3318","0.3133","0.3261","","","","","","1.2148","","","","has coordinates","246139","2020-10-21","18:00:00",""
"2311853","6.3318","0.0003","10.3065","0.0005","23.1616","0.001","90","","90","","90","","1511.5","0.12","175","","175","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","2-[Cyclohexyl(methyl)amino]-5,5-dimethyl-1,3,2λ^5^-diazaphosphinan-2-one","","- C12 H26 N3 O P -","- C12 H26 N3 O P -","- C48 H104 N12 O4 P4 -","4","1","FP3025","Keikha, Mojtaba; Pourayoubi, Mehrdad; Tarahhomi, Atekeh; van der Lee, Arie","Syntheses and structures of four new mixed-amide phosphoric triamides.","Acta crystallographica. Section C, Structural chemistry","2016","72","Pt 3","251","259","10.1107/S2053229616001595","","","0.71073","MoKα","","0.0625","0.0485","","0.1244","0.1086","0.1207","","","","","","0.9665","","","","has coordinates","246139","2020-10-21","18:00:00",""
"2311854","5.0425","0.0002","9.0386","0.0003","10.1045","0.0004","91.6608","0.001","97.6593","0.001","101.081","0.001","447.21","0.03","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","(<i>E</i>)-3-Benzylidenepyrrolidine-2,5-dione","","- C11 H9 N O2 -","- C11 H9 N O2 -","- C22 H18 N2 O4 -","2","1","","Schirmer, Marie Luis; Spannenberg, Anke; Werner, Thomas","Highly functionalized alkenes produced from base-free organocatalytic Wittig reactions: (E)-3-benzylidenepyrrolidine-2,5-dione, (E)-3-benzylidene-1-methylpyrrolidine-2,5-dione and (E)-3-benzylidene-1-tert-butylpyrrolidine-2,5-dione.","Acta crystallographica. Section C, Structural chemistry","2016","72","Pt 6","504","508","10.1107/S2053229616008159","","","0.71073","MoKα","","0.0459","0.0391","","","0.1042","0.1097","","","","","","1.056","","","","has coordinates","246140","2020-10-21","18:00:00",""
"2311855","7.5977","0.0004","18.2537","0.0009","8.0187","0.0004","90","","116.727","0.001","90","","993.27","0.09","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","(<i>E</i>)-3-Benzylidene-1-methylpyrrolidine-2,5-dione","","- C12 H11 N O2 -","- C12 H11 N O2 -","- C48 H44 N4 O8 -","4","1","","Schirmer, Marie Luis; Spannenberg, Anke; Werner, Thomas","Highly functionalized alkenes produced from base-free organocatalytic Wittig reactions: (E)-3-benzylidenepyrrolidine-2,5-dione, (E)-3-benzylidene-1-methylpyrrolidine-2,5-dione and (E)-3-benzylidene-1-tert-butylpyrrolidine-2,5-dione.","Acta crystallographica. Section C, Structural chemistry","2016","72","Pt 6","504","508","10.1107/S2053229616008159","","","0.71073","MoKα","","0.0474","0.0397","","","0.1028","0.1097","","","","","","1.037","","","","has coordinates","246140","2020-10-21","18:00:00",""
"2311856","10.2638","0.0004","12.1068","0.0004","12.2361","0.0004","63.3851","0.0011","85.277","0.0012","71.4797","0.0012","1285.74","0.08","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","(<i>E</i>)-3-Benzylidene-1-<i>tert</i>-butylpyrrolidine-2,5-dione","","- C15 H17 N O2 -","- C15 H17 N O2 -","- C60 H68 N4 O8 -","4","2","","Schirmer, Marie Luis; Spannenberg, Anke; Werner, Thomas","Highly functionalized alkenes produced from base-free organocatalytic Wittig reactions: (E)-3-benzylidenepyrrolidine-2,5-dione, (E)-3-benzylidene-1-methylpyrrolidine-2,5-dione and (E)-3-benzylidene-1-tert-butylpyrrolidine-2,5-dione.","Acta crystallographica. Section C, Structural chemistry","2016","72","Pt 6","504","508","10.1107/S2053229616008159","","","0.71073","MoKα","","0.075","0.0472","","","0.1181","0.1328","","","","","","1.013","","","","has coordinates","246140","2020-10-21","18:00:00",""
"2311857","15.7247","0.0004","18.8101","0.0005","19.1726","0.0005","78.2025","0.0013","82.7526","0.0014","85.7404","0.0012","5499.9","0.2","123","","123","","","","","","","","","8","P -1","-P 1","2","","Bis[di-μ-bromido-bis({η^3^-[3-(2,6-diisopropylphenyl)imidazolium-1-yl]cycloheptatrienido}palladium(II))] <i>cyclo</i>-tetra-μ-bromido-tetrakis({η^3^-[3-(2,6-diisopropylphenyl)imidazolium-1-yl]cycloheptatrienido}palladium(II)) octakis(tetrafluoroborate) dichloromethane octasolvate","","- C184 H224 B8 Br8 Cl16 F32 N16 Pd8 -","- C184 H224 B8 Br8 Cl16 F32 N16 Pd8 -","- C184 H224 B8 Br8 Cl16 F32 N16 Pd8 -","1","0.5","FP3030","Jandl, C.; Stegbauer, S.; Pöthig, A","A Pd4Br4 macrocycle trapped by cocrystallization from a highly dynamic equilibrium of η(3)-cycloheptatrienide complexes.","Acta crystallographica. Section C, Structural chemistry","2016","72","Pt 7","509","513","10.1107/S2053229616008275","","","0.71073","MoKα","","0.0436","0.03","","","0.0748","0.0798","","","","","","1.028","","","","has coordinates,has disorder","246141","2020-10-21","18:00:00",""
"2311858","16.4188","0.0005","16.4188","0.0005","8.8395","0.0003","90","","90","","120","","2063.67","0.11","100","2","100","2","","","","","","","","7","P 3","P 3","143","Mg-Valinomycin","Valinomycin hexaaquamagnesium bis(trifluoromethanesulfonate) trihydrate","","- C56 H108 F6 Mg N6 O33 S2 -","- C56 H102 F6 Mg N6 O30 S2 -","- C56 H102 F6 Mg N6 O30 S2 -","1","0.333333","QS3057","Fujita, Megumi; Kazerouni, Amaan M.; Bacsa, John","The structure of a valinomycin-hexaaquamagnesium trifluoromethanesulfonate compound.","Acta crystallographica. Section C, Structural chemistry","2016","72","Pt 8","627","633","10.1107/S2053229616010676","","","0.71073","MoKα","","0.0581","0.0469","","","0.1102","0.1201","","","","","","1.039","","","","has coordinates","246142","2020-10-21","18:00:00",""
"2311859","18.2186","0.0004","20.0166","0.0004","7.2534","0.0002","90","","90","","90","","2645.13","0.11","100","2","100","2","","","","","","","","4","A e a 2","A 2 -2ab","41","","Bis(benzo[<i>b</i>]thiophen-2-yl)methanone","","- C17 H10 O S2 -","- C17 H10 O S2 -","- C136 H80 O8 S16 -","8","1","EG3204","Katzsch, Felix; Gruber, Tobias; Weber, Edwin","Crystal structures of functional building blocks derived from bis(benzo[b]thiophen-2-yl)methane.","Acta crystallographica. Section C, Structural chemistry","2016","72","Pt 9","679","684","10.1107/S2053229616012973","","","0.71073","MoKα","","0.0259","0.0252","","","0.0668","0.0671","","","","","","0.992","","","","has coordinates","246143","2020-10-21","18:00:00",""
"2311860","19.3755","0.0005","17.0998","0.0004","5.9656","0.0001","90","","90","","90","","1976.51","0.08","100","2","100","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","1,1-Bis(benzo[<i>b</i>]thiophen-2-yl)-3-(trimethylsilyl)prop-2-yn-1-ol","","- C22 H20 O S2 Si -","- C22 H20 O S2 Si -","- C88 H80 O4 S8 Si4 -","4","0.5","EG3204","Katzsch, Felix; Gruber, Tobias; Weber, Edwin","Crystal structures of functional building blocks derived from bis(benzo[b]thiophen-2-yl)methane.","Acta crystallographica. Section C, Structural chemistry","2016","72","Pt 9","679","684","10.1107/S2053229616012973","","","0.71073","MoKα","","0.04","0.0327","","","0.0788","0.082","","","","","","1.062","","","","has coordinates,has disorder","246143","2020-10-21","18:00:00",""
"2311861","9.4426","0.0003","19.5197","0.0006","8.4323","0.0003","90","","101.539","0.002","90","","1522.8","0.09","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1,1-Bis(benzo[<i>b</i>]thiophen-2-yl)prop-2-yn-1-ol","","- C19 H12 O S2 -","- C19 H12 O S2 -","- C76 H48 O4 S8 -","4","1","EG3204","Katzsch, Felix; Gruber, Tobias; Weber, Edwin","Crystal structures of functional building blocks derived from bis(benzo[b]thiophen-2-yl)methane.","Acta crystallographica. Section C, Structural chemistry","2016","72","Pt 9","679","684","10.1107/S2053229616012973","","","0.71073","MoKα","","0.0271","0.0258","","","0.0659","0.0668","","","","","","1.081","","","","has coordinates,has disorder","246143","2020-10-21","18:00:00",""
"3000040","3.60504","0.00009","19.9293","0.0007","18.4841","0.0006","90","","100.503","0.002","90","","1305.76","0.07","296","","296","","","","","","","","kidney","5","P 1 21/c 1","-P 2ybc","14","","","","- C10 H7 K N8 O6 -","- C10 H7 K N8 O6 -","- C40 H28 K4 N32 O24 -","4","1","","Dominique Bazin; Michel Daudon; Erik Elkaim; Armel Le Bail; Lubomir Smrcok","Ab <i>initio</i> structure determination of kidney stone potassium quadriurate from synchrotron powder diffraction data, a 150 years problem solved","Comptes Rendus Chimie","2016","19","","1535","1541","10.1016/j.crci.2015.02.003","powder diffraction","","0.72442","synchrotron","","","","","","","","","3.2768","3.044","","","","","","","has coordinates","250906","2020-10-21","18:00:00",""
"3500027","6.8358","0.0003","10.0116","0.0006","11.6421","0.0006","90","","90","","90","","796.75","0.07","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","mer-Tri(ammine)tri(nitrito-N)cobalt(III)","","- Co H9 N6 O6 -","- Co H9 N6 O6 -","- Co4 H36 N24 O24 -","4","1","","Miguel Quirós","Redetermination of mer-[Co(NH3)3(NO2)3]","Personal communication to COD","2016","","","","","","","","0.71073","MoKα","","0.0311","0.0264","","","0.0531","0.0544","","","","","","1.106","","","","has coordinates,has Fobs","176658","2020-10-21","18:00:00",""
"3500028","6.3287","0.0004","7.4523","0.0004","16.8507","0.001","90","","92.703","0.004","90","","793.85","0.08","100","","100","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","2-Formylnaphthalene","2-Naphthalenecarboxaldehyde","","- C11 H8 O -","- C11 H8 O -","- C44 H32 O4 -","4","1","","Thierry Maris","2-Naphthalenecarboxaldehyde","Personal communication to COD","2016","","","","","","","x-ray","1.34139","GaKα","","0.0648","0.048","","","0.1243","0.1373","","","","","","1.039","","","","has coordinates,has Fobs","177179","2020-10-21","18:00:00",""
"3500029","5.0373","0.0002","8.7819","0.0003","11.2288","0.0004","73.632","0.002","85.635","0.002","82.993","0.002","472.58","0.03","100","","100","","","","","","","","","5","P -1","-P 1","2","2-Naphthylsulfonyl chloride","2-Naphthalenesulfonyl chloride","","- C10 H7 Cl O2 S -","- C10 H7 Cl O2 S -","- C20 H14 Cl2 O4 S2 -","2","1","","Thierry Maris","2-Naphthylsulfonyl chloride","Personal communication to COD","2016","","","","","","","x-ray","1.34139","GaKα","","0.0329","0.0312","","","0.0868","0.0885","","","","","","1.058","","","","has coordinates,has Fobs","177180","2020-10-21","18:00:00",""
"3500030","7.9943","0.0005","12.4491","0.0009","12.9791","0.0009","90","","90","","90","","1291.7","0.15","100","","100","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","Benzyltriethylammonium chloride","Benzenemethanaminium, N,N,N-triethyl-, chloride (1:1)","","- C13 H22 Cl N -","- C13 H22 Cl N -","- C52 H88 Cl4 N4 -","4","1","","Thierry Maris","Benzyltriethylammonium chloride","Personal communication to COD","2016","","","","","","","x-ray","1.34139","GaKα","","0.0341","0.0336","","","0.0868","0.0872","","","","","","1.102","","","","has coordinates,has Fobs","177181","2020-10-21","18:00:00",""
"3500031","4.3237","0.0002","10.1666","0.0004","16.3253","0.0006","90","","90","","90","","717.62","0.05","100","","100","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","2,6-Dibromoaniline","benzenamine, 2,6-dibromo-","","- C6 H5 Br2 N -","- C6 H5 Br2 N -","- C24 H20 Br8 N4 -","4","1","","Thierry Maris","2,6-Dibromoaniline","Personal communication to COD","2016","","","","","","","x-ray","1.34139","GaKα","","0.0228","0.0227","","","0.0587","0.059","","","","","","1.15","","","","has coordinates,has Fobs","177182","2020-10-21","18:00:00",""
"3500034","7.1996","0.0003","17.0679","0.0007","7.1221","0.0003","90","","115.205","0.001","90","","791.85","0.06","100","","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Benzoic acid, 4-cyano-, methyl ester","Methyl p-cyanobenzoate","","- C9 H7 N O2 -","- C9 H7 N O2 -","- C36 H28 N4 O8 -","4","1","","Thierry Maris","","Personal communication to COD","2016","","","","","","","x-ray","1.34139","GaKα","","0.039","0.0382","","","0.1034","0.1047","","","","","","1.097","","","","has coordinates,has Fobs","177185","2020-10-21","18:00:00",""
"3500035","8.812","0.003","11.308","0.004","23.127","0.007","90","","95.91","0.02","90","","2292.3","1.3","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C17 H22 Cl2 Cu N4 O9 -","- C17 H22 Cl2 Cu N4 O9 -","- C68 H88 Cl8 Cu4 N16 O36 -","4","1","","Juergen Lange","","Personal communication to COD","2016","","","","","","","","0.71069","MoKα","","0.0545","0.045","","0.1504","0.1348","","","","1.084","1.087","1.087","","","","","has coordinates,has Fobs","183201","2020-10-21","18:00:00",""
"3500036","9.746","0.003","17.215","0.005","11.36","0.004","90","","112.99","0.01","90","","1754.6","1","299","2","299","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C19 H20 Cu N2 O2 -","- C19 H20 Cu N2 O2 -","- C76 H80 Cu4 N8 O8 -","4","1","","Juergen Lange","","Personal communication to COD","2016","","","","","","","","0.71069","MoKα","","0.0381","0.0303","","0.0885","0.0739","","","","1.125","1.085","1.085","","","","","has coordinates,has Fobs","183218","2020-10-21","18:00:00",""
"3500037","5.2467","0.0007","7.783","0.002","7.582","0.006","90","","101.39","0.02","90","","303.5","0.3","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","catena-((μ~6~-Hydrogen (+)-tartrato)-sodium)","","- C4 H5 Na O6 -","- C4 H5 Na O6 -","- C8 H10 Na2 O12 -","2","1","","Armel Le Bail","","Personal communication to COD","2016","","","","","","","","0.71069","MoKα","","0.0522","0.0441","","","0.1203","0.1289","","","","","","1.167","","","","has coordinates,has Fobs","283804","2023-05-16","14:26:38",""
"3500038","7.618","0.008","9.945","0.016","7.219","0.004","90","","90","","90","","546.9","1.1","293","2","293","2","","","","","","","","4","C 2 2 21","C 2c 2","20","","Calcium tartrate anhydrous form II","","- C4 H4 Ca O6 -","- C4 H4 Ca O6 -","- C16 H16 Ca4 O24 -","4","0.5","","Armel Le Bail","","Personal communication to COD","2016","","","","","","","","0.71069","MoKα","","0.0927","0.0532","","","0.1162","0.1342","","","","","","1.149","","","","has coordinates,has Fobs","183932","2020-10-21","18:00:00",""
"3500039","6.86394","","7.76619","","12.06935","","90","","90","","90","","643.377","","293","","293","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C4 H5 Ca O6 -","- C4 Ca O6 -","- C16 Ca4 O24 -","4","1","","Armel Le Bail","Calcium tartrate anhydrous form I","Personal communication to COD","2016","","","","","","powder diffraction","","1.54178","X-ray","","","","","","","","","10.2796","","","","","","","","has coordinates,has Fobs","183933","2020-10-21","18:00:00",""
"3500041","12.1448","0.0015","4.4764","0.0006","15.0812","0.0019","90","","112.566","0.005","90","","757.12","0.17","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","1-Bromomethyl-3-nitrobenzene","Benzene, 1-(bromomethyl)-3-?nitro-","","- C7 H6 Br N O2 -","- C7 H6 Br N O2 -","- C28 H24 Br4 N4 O8 -","4","1","","Thierry Maris","2-Naphthylsulfonyl chloride","Personal communication to COD","2016","","","","","","","x-ray","1.34139","GaKα","","0.0422","0.04","","","0.1015","0.105","","","","","","1.125","","","","has coordinates,has Fobs","186684","2020-10-21","18:00:00",""
"3500042","13.8436","0.001","13.9166","0.001","15.0218","0.0011","105.968","0.001","99.884","0.001","113.157","0.001","2426.6","0.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","Tris(phenanthroline)zinc dimethylazaxanthinate heptahydrate","","- C48 H50 N16 O11 Zn -","- C48 H50 N16 O11 Zn -","- C96 H100 N32 O22 Zn2 -","2","1","","Maldonado, Carmen R.; Quirós, Miguel; Salas, Juan M.","Tris(phenanthroline)zinc dimethylazaxanthinate heptahydrate","Personal communication to COD","2016","","","","","","","","0.71073","MoKα","","0.0548","0.0519","","","0.131","0.1333","","","","","","1.073","","","","has coordinates,has Fobs","188514","2020-10-21","18:00:00",""
"3500043","6.56646","0.00002","11.4444","0.00004","6.94202","0.00002","90","","90.5668","0.0003","90","","521.662","0.003","295","","295","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- F6 K2 Zr -","- F6 K2 Zr -","- F24 K8 Zr4 -","4","0.5","","Lubomir Smrcok; Armel Le Bail; Miroslav Boca","Polymorphism of K~2~ZrF~6~ by synchrotron powder diffraction and DFT","Personal communication to COD","2016","","","","","","powder diffraction","x-ray","0.825631","synchrotron","","","","","","","","","1.9943","1.532","","","","","","","has coordinates","188670","2020-10-21","18:00:00",""
"3500044","9.15641","0.00003","9.15641","0.00003","9.15641","0.00003","90","","90","","90","","767.672","0.004","768","","768","","","","","","","","","3","F m -3 m","-F 4 2 3","225","","","","- F6 K2 Zr -","- F5.9988 K2 Zr -","- F23.9952 K8 Zr4 -","4","0.0208333","","Lubomir Smrcok; Armel Le Bail; Miroslav Boca","Polymorphism of K~2~ZrF~6~ by synchrotron powder diffraction and DFT","Personal communication to COD","2016","","","","","","powder diffraction","x-ray","0.826946","synchrotron","","","","","","","","","4.1396","1.524","","","","","","","has coordinates","188671","2020-10-21","18:00:00",""
"3500045","6.33605","0.00002","6.33605","0.00002","9.29458","0.00005","90","","90","","90","","373.136","0.003","473","","473","","","","","","","","","3","P 4/n m m :2","-P 4a 2a","129","","","","- F6 K2 Zr -","- F6 K2 Zr -","- F12 K4 Zr2 -","2","0.125","","Lubomir Smrcok; Armel Le Bail; Miroslav Boca","Polymorphism of K~2~ZrF~6~ by synchrotron powder diffraction and DFT","Personal communication to COD","2016","","","","","","powder diffraction","x-ray","0.826946","synchrotron","","","","","","","","","5.102","2.293","","","","","","","has coordinates","188672","2020-10-21","18:00:00",""
"3500046","6.37122","0.00008","20.5603","0.0003","19.6642","0.0003","90","","90","","90","","2575.9","0.06","327","","327","","","","","","","","","3","C m c m","-C 2c 2","63","","","","- F6 K2 Zr -","- F6 K2 Zr -","- F96 K32 Zr16 -","16","1","","Lubomir Smrcok; Armel Le Bail; Miroslav Boca","Polymorphism of K~2~ZrF~6~ by synchrotron powder diffraction and DFT","Personal communication to COD","2016","","","","","","powder diffraction","x-ray","0.82711","synchrotron","","","","","","","","","6.029","3.447","","","","","","","has coordinates","188673","2020-10-21","18:00:00",""
"3500047","6.4084","0.00005","20.76974","0.00018","19.9888","0.00017","90","","90","","90","","2660.53","0.04","568","","568","","","","","","","","","3","C m c m","-C 2c 2","63","","","","- F6 K2 Zr -","- F6 K2 Zr -","- F96 K32 Zr16 -","16","1","","Lubomir Smrcok; Armel Le Bail; Miroslav Boca","Polymorphism of K~2~ZrF~6~ by synchrotron powder diffraction and DFT","Personal communication to COD","2016","","","","","","powder diffraction","x-ray","0.82711","synchrotron","","","","","","","","","7.6317","3.73","","","","","","","has coordinates","188674","2020-10-21","18:00:00",""
"3500048","10.30844","0.00007","6.02909","0.00003","23.80175","0.00014","90","","90","","90","","1479.29","0.015","768","","768","","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- F6 K2 Zr -","- F6 K2 Zr -","- F48 K16 Zr8 -","8","1","","Lubomir Smrcok; Armel Le Bail; Miroslav Boca","Polymorphism of K~2~ZrF~6~ by synchrotron powder diffraction and DFT","Personal communication to COD","2016","","","","","","powder diffraction","x-ray","0.826946","synchrotron","","","","","","","","","13.3758","1.524","","","","","","","has coordinates","188675","2020-10-21","18:00:00",""
"3500049","13.7972","0.0008","5.3432","0.0003","14.7638","0.0008","90","","90.831","0.002","90","","1088.29","0.11","295","","295","","","","","","","","Fluoride glass of composition BaMnFeF7 recrystallized at 440 C","4","C 1 2/c 1","-C 2yc","15","","","","- Ba F7 Fe Mn -","- Ba F7 Fe Mn -","- Ba8 F56 Fe8 Mn8 -","8","1","","Armel Le Bail","BaMnFeF7 fluoride glass recrystallizing at 440 C in the BaMnGaF7 structure type instead of the BaMnFeF7 type","Personal communication to COD","2016","","","","","","powder diffraction","x-ray","1.54184","CuKα","","","","","","","","","5.5109","","","","","","","","has coordinates","188774","2020-10-21","18:00:00",""
"3500050","10.6199","0.0005","9.8809","0.0004","5.6263","0.0003","90","","118.551","0.0016","90","","518.59","0.04","295","","295","","","","","","","","Fluoride glass of composition BaCuGaF7 recrystallized at 500 C","4","C 1 2/c 1","-C 2yc","15","","","","- Ba Cu F7 Ga -","- Ba Cu F7 Ga -","- Ba4 Cu4 F28 Ga4 -","4","0.5","","Armel Le Bail","BaCuGaF7 fluoride glass recrystallizing at 500 C in the BaCuGFeF7 structure type","Personal communication to COD","2016","","","","","","powder diffraction","x-ray","1.54184","CuKα","","","","","","","","","4.0462","","","","","","","","has coordinates","188806","2020-10-21","18:00:00",""
"3500051","5.4045","0.0004","10.7701","0.0008","9.0421","0.0007","90","","95.021","0.003","90","","524.29","0.07","295","","295","","","","","","","","Fluoride glass of composition BaZnGaF7 recrystallized at 500 C","4","P 1 21/c 1","-P 2ybc","14","","","","- Ba F7 Ga Zn -","- Ba F7 Ga Zn -","- Ba4 F28 Ga4 Zn4 -","4","1","","Armel Le Bail","BaZnGaF7 fluoride glass recrystallizing at 500 C in the BaMnFeF7 structure type","Personal communication to COD","2016","","","","","","powder diffraction","x-ray","1.54184","CuKα","","","","","","","","","5.6456","","","","","","","","has coordinates","188844","2020-10-21","18:00:00",""
"3500052","7.79236","0.00018","19.6501","0.0005","10.6869","0.0003","90","","90","","90","","1636.39","0.07","295","","295","","","","","","","","Hydrothermal synthesis","5","C m c e","-C 2ac 2","64","","","","- F10 Ga2 H2 O Sr2 -","- F10 Ga2 H2 O Sr2 -","- F80 Ga16 H16 O8 Sr16 -","8","0.5","","Armel Le Bail","Sr2Ga2F10.H2O isostructural with Sr2Fe2F10.H2O","Personal communication to COD","2016","","","","","","powder diffraction","x-ray","1.54184","CuKα","","","","","","","","","6.3336","","","","","","","","has coordinates","188867","2020-10-21","18:00:00",""
"3500053","7.773","0.00019","19.7953","0.0005","10.7228","0.0003","90","","90","","90","","1649.91","0.07","295","","295","","","","","","","","Hydrothermal synthesis","5","C m c e","-C 2ac 2","64","","","","- Cr2 F10 H2 O Sr2 -","- Cr2 F10 H2 O Sr2 -","- Cr16 F80 H16 O8 Sr16 -","8","0.5","","Armel Le Bail","Sr2Cr2F10.H2O isostructural with Sr2Fe2F10.H2O","Personal communication to COD","2016","","","","","","powder diffraction","x-ray","1.54184","CuKα","","","","","","","","","4.2915","","","","","","","","has coordinates","188870","2020-10-21","18:00:00",""
"3500054","8.55706","0.00016","5.8935","0.0002","17.7013","0.0007","90","","90","","90","","892.69","0.05","295","","295","","","","","","","","Solid state synthesis traces of MgO as impurity","4","F d d d :2","-F 2uv 2vw","70","","","","- Li3 Mg2 Nb O6 -","- Li2.997 Mg2.003 Nb O6 -","- Li23.976 Mg16.024 Nb8 O48 -","8","0.25","","Armel Le Bail","A 1995 neutron/X-ray study of Li3Mg2NbO6 stopped because of Mather et al., J. Mater Chem. 1995, 5, 1177-1182","Personal communication to COD","2016","","","","","","powder diffraction","","1.5938","ConstantWavelengthNeutronDiffraction","","","","","","","","","3.5839","","","","","","","","has coordinates","188881","2020-10-21","18:00:00",""
"3500055","8.55816","0.00012","5.90289","0.00009","17.7437","0.0003","90","","90","","90","","896.37","0.02","295","","295","","","","","","","","Solid state synthesis traces of MgO as impurity","4","F d d d :2","-F 2uv 2vw","70","","","","- Li3 Mg2 Nb O6 -","- Li2.967 Mg2.041 Nb O6 -","- Li23.736 Mg16.328 Nb8 O48 -","8","0.25","","Armel Le Bail","A 1995 neutron/X-ray study of Li3Mg2NbO6 stopped because of Mather et al., J. Mater Chem. 1995, 5, 1177-1182","Personal communication to COD","2016","","","","","","powder diffraction","x-ray","1.54184","CuKα","","","","","","","","","3.6603","","","","","","","","has coordinates","188882","2020-10-21","18:00:00",""
"3500056","12.4544","0.0004","12.4544","0.0004","4.94856","0.00018","90","","90","","120","","664.75","0.04","295","","295","","","","","","","","Hydrothermal synthesis","4","P 63 m c","P 6c -2c","186","","","","- H12 Ni12 O38 P8 -","- Ni12 O38 P8 -","- Ni12 O38 P8 -","1","0.0833333","","Armel Le Bail","Ni12(HPO4)6(PO4)2(OH)6 P63mc related to COD 4313804 and to COD 1000115 and dumortierite","Personal communication to COD","2016","","","","","","powder diffraction","x-ray","1.54184","CuKα","","","","","","","","","3.0816","","","","","","","","has coordinates","189008","2020-10-21","18:00:00",""
"3500057","7.2333","0.0004","8.2043","0.0004","5.0263","0.0002","107.246","0.002","108.268","0.003","95.195","0.003","264.92","0.02","295","","295","","","","","","","","From Lubomir Smrcok","4","P -1","-P 1","2","","","","- Al2 As2 Cs2 O9 -","- Al2 As2 Cs2 O9 -","- Al2 As2 Cs2 O9 -","1","0.5","","Lubomir Smrcok; Yvon Laligant; Armel Le Bail","Cs2Al2As2O9 solved ab initio from X-ray powder diffraction data in 1998","Personal communication to COD","2016","","","","","","powder diffraction","x-ray","1.54184","CuKα","","","","","","","","","7.1445","","","","","","","","has coordinates","189049","2020-10-21","18:00:00",""
"3500058","8.2137","0.001","6.0253","0.001","12.282","0.001","90","","100.1","0.001","90","","598.42","0.13","293","2","293","2","","","","","","","","3","P 1 21/m 1","-P 2yb","11","","","","- Cr F13 Pb5 -","- Cr F12 Pb5 -","- Cr2 F24 Pb10 -","2","0.5","","Armel Le Bail","Approaching the crystal structure of Pb5CrF13 (a big mess indeed : systematic twinning)","Personal communication to COD","2016","","","","","","","","0.71069","MoKα","","0.1611","0.1057","","","0.2702","0.3216","","","","","","1.052","","","","has coordinates","288183","2023-12-08","14:42:53",""
"3500059","4.9466","0.001","4.9481","0.001","6.1943","0.001","90","","92.8096","0.001","90","","151.43","0.05","293","2","293","2","","","","","","","Synthesis as in J. Alloys and Compounds 216 (1994) 11-19","3","I 1 2/m 1","-I 2y","12","N-PdSO4","","","- O4 Pd S -","- O13 Pd S2 -","- O26 Pd2 S4 -","2","0.25","","Yvon Laligant; Armel Le Bail","Approaching the crystal structure of N-PdSO4 in the monoclinic subcell a/2, b/2, c/2 (see J. Alloys and Compounds 216, 1994, 11-19)","Personal communication to COD","2016","","","","","","","","0.71069","MoKα","","0.0739","0.0665","","","0.1696","0.1891","","","","","","1.273","","","","has coordinates,has disorder,has Fobs","288183","2023-12-08","14:42:53",""
"3500060","6.428","0.0004","6.4306","0.0003","6.9534","0.0004","91.823","0.004","107.035","0.003","90.076","0.005","274.66","0.03","295","","295","","","","","","","","","5","P -1","-P 1","2","","","","- As2 H8 Na O14 V2 -","- As2 Na O14 V2 -","- As2 Na O14 V2 -","1","0.5","","Armel Le Bail","Na(VO)2(AsO4)2(H20)4 isostructural with the phosphate Na(VO)2(PO4)2(H20)4","Personal communication to COD","2016","","","","","","powder diffraction","x-ray","1.54184","CuKα","","","","","","","","","4.9097","","","","","","","","has coordinates","189247","2020-10-21","18:00:00",""
"3500061","14.4782","0.0007","14.4782","0.0007","7.321","0.0004","90","","90","","90","","1534.62","0.13","295","","295","","","","","","","","Solid state synthesis","3","I 4/m","-I 4","87","","","","- F5 Ga Pb -","- F5 Ga Pb -","- F80 Ga16 Pb16 -","16","1","","Armel Le Bail","Rietveld refinement of the crystal structure of PbGaF5 in the BaTiF5 structure type, I4/m","Personal communication to COD","2016","","","","","","powder diffraction","x-ray","1.54184","CuKα","","","","","","","","","4.1293","","","","","","","","has coordinates","189271","2020-10-21","18:00:00",""
"3500062","10.69885","0.00007","18.81823","0.00013","6.82475","0.00004","90","","111.285","0.0003","90","","1280.32","0.015","295","","295","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C10 H16 N6 S -","- C10 H16 N6 S -","- C40 H64 N24 S4 -","4","1","","Armel Le Bail","Rietveld refinement of the crystal structure of cimetidine from synchrotron data","Personal communication to COD","2016","","","","","","powder diffraction","x-ray","1.52904","","","","","","","","","","5.8449","","","","","","","","has coordinates","189300","2020-10-21","18:00:00",""
"3500063","7.9489","0.0004","6.7664","0.0003","10.9689","0.0005","90","","106.406","0.003","90","","565.95","0.05","295","","295","","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","","","- C6 H13 Mn O8 -","- C6 H13 Mn O8 -","- C12 H26 Mn2 O16 -","2","0.5","","Armel Le Bail","Rietveld refinement of the crystal structure of manganese(III) triacetate dihydrate from x-ray powder diffraction data","Personal communication to COD","2016","","","","","","powder diffraction","x-ray","1.54184","CuKα","","","","","","","","","4.1934","","","","","","","","has coordinates","189308","2020-10-21","18:00:00",""
"4002641","5.5526","0.00005","5.5526","0.00005","6.07271","0.00008","90","","90","","90","","187.23","0.003","295","","295","","","","100","","","","","3","P -4 n 2","P -4 -2n","118","δ-manganese borohydride","manganese ditetrahydroborate","","- B2 H8 Mn -","- B2 H8 Mn -","- B4 H16 Mn2 -","2","0.25","","Tumanov, Nikolay A.; Roedern, Elsa; Łodziana, Zbigniew; Nielsen, Dorrit B.; Jensen, Torben R.; Talyzin, Alexandr V.; Černý, Radovan; Chernyshov, Dmitry; Dmitriev, Vladimir; Palasyuk, Taras; Filinchuk, Yaroslav","High-Pressure Study of Mn(BH4)2Reveals a Stable Polymorph with High Hydrogen Density","Chemistry of Materials","2016","28","1","274","","10.1021/acs.chemmater.5b04102","powder diffraction","","0.82577","synchrotron","","","","","","","","","5.2091","3.96","","","","","","","has coordinates","175776","2020-10-21","18:00:00",""
"4002642","7.85254","0.00006","7.85254","0.00006","12.14548","0.00017","90","","90","","90","","748.919","0.013","295","","295","","","","100","","","","","3","I 41/a c d :2","-I 4bd 2c","142","δ-manganese borohydride","manganese ditetrahydroborate","","- B2 H8 Mn -","- B2 H8 Mn -","- B16 H64 Mn8 -","8","0.25","","Tumanov, Nikolay A.; Roedern, Elsa; Łodziana, Zbigniew; Nielsen, Dorrit B.; Jensen, Torben R.; Talyzin, Alexandr V.; Černý, Radovan; Chernyshov, Dmitry; Dmitriev, Vladimir; Palasyuk, Taras; Filinchuk, Yaroslav","High-Pressure Study of Mn(BH4)2Reveals a Stable Polymorph with High Hydrogen Density","Chemistry of Materials","2016","28","1","274","","10.1021/acs.chemmater.5b04102","powder diffraction","","0.82577","synchrotron","","","","","","","","","5.1809","4.01","","","","","","","has coordinates","175776","2020-10-21","18:00:00",""
"4002643","12.638","0.015","9.321","0.01","9.205","0.017","90","","90","","90","","1084","3","295","","295","","","","11800000","","","","","3","F d d d :2","-F 2uv 2vw","70","δ'-manganese borohydride","manganese ditetrahydroborate","","- B2 H8 Mn -","- B2 H8 Mn -","- B32 H128 Mn16 -","16","0.5","","Tumanov, Nikolay A.; Roedern, Elsa; Łodziana, Zbigniew; Nielsen, Dorrit B.; Jensen, Torben R.; Talyzin, Alexandr V.; Černý, Radovan; Chernyshov, Dmitry; Dmitriev, Vladimir; Palasyuk, Taras; Filinchuk, Yaroslav","High-Pressure Study of Mn(BH4)2Reveals a Stable Polymorph with High Hydrogen Density","Chemistry of Materials","2016","28","1","274","","10.1021/acs.chemmater.5b04102","powder diffraction","","0.7092","synchrotron","","","","","","","","","10.6194","53.85","","","","","","","has coordinates","270525","2021-11-08","17:37:12",""
"4002644","13.0754","0.0008","11.4619","0.0007","15.1442","0.001","90","","112.377","0.0008","90","","2098.7","0.2","130","2","130","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H26 Cd N2 Te2 -","- C18 H26 Cd N2 Te2 -","- C72 H104 Cd4 N8 Te8 -","4","1","","Campos, Michael P.; Owen, Jonathan S.","Synthesis and Surface Chemistry of Cadmium Carboxylate Passivated CdTe Nanocrystals from Cadmiumbis(Phenyltellurolate)","Chemistry of Materials","2016","28","1","227","","10.1021/acs.chemmater.5b03914","","","0.71073","MoKα","","0.0206","0.0184","","","0.0424","0.0432","","","","","","1.105","","","","has coordinates","175777","2020-10-21","18:00:00",""
"4002645","13.6287","0.0005","13.9657","0.0004","26.6535","0.0019","85.319","0.006","89.286","0.006","86.172","0.006","5044.7","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C60 H43 N6 O14 Zn3 -","- C60 H43 N6 O14 Zn3 -","- C120 H86 N12 O28 Zn6 -","2","1","","Lee, Seok J.; Doussot, Celine; Baux, Anthony; Liu, Lujia; Jameson, Geoffrey B.; Richardson, Christopher; Pak, Joshua J.; Trousselet, Fabien; Coudert, François-Xavier; Telfer, Shane G.","Multicomponent Metal‒Organic Frameworks as Defect-Tolerant Materials","Chemistry of Materials","2016","28","1","368","","10.1021/acs.chemmater.5b04306","","","1.54178","CuKα","","0.0961","0.0779","","","0.2361","0.2662","","","","","","1.105","","","","has coordinates,has disorder","175778","2020-10-21","18:00:00",""
"4002646","44.6954","0.0009","44.6954","0.0009","26.7782","0.0019","90","","90","","120","","46327","4","293","2","293","2","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","","","- C48 H36 N4 O12 Zn3 -","- C48 H36 N4 O12 Zn3 -","- C864 H648 N72 O216 Zn54 -","18","0.5","","Lee, Seok J.; Doussot, Celine; Baux, Anthony; Liu, Lujia; Jameson, Geoffrey B.; Richardson, Christopher; Pak, Joshua J.; Trousselet, Fabien; Coudert, François-Xavier; Telfer, Shane G.","Multicomponent Metal‒Organic Frameworks as Defect-Tolerant Materials","Chemistry of Materials","2016","28","1","368","","10.1021/acs.chemmater.5b04306","","","1.54178","CuKα","","0.1507","0.0983","","","0.2875","0.3463","","","","","","1.11","","","","has coordinates","175778","2020-10-21","18:00:00",""
"4002647","32.8962","0.0008","32.8962","0.0008","40.309","0.003","90","","90","","120","","37777","3","173","2","173","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C36 H26 N3.33 O8 Zn2 -","- C36 H26 N3.33333 O8 Zn2 -","- C648 H468 N60 O144 Zn36 -","18","1","","Lee, Seok J.; Doussot, Celine; Baux, Anthony; Liu, Lujia; Jameson, Geoffrey B.; Richardson, Christopher; Pak, Joshua J.; Trousselet, Fabien; Coudert, François-Xavier; Telfer, Shane G.","Multicomponent Metal‒Organic Frameworks as Defect-Tolerant Materials","Chemistry of Materials","2016","28","1","368","","10.1021/acs.chemmater.5b04306","","","1.54178","CuKα","","0.124","0.1083","","","0.3194","0.3445","","","","","","1.228","","","","has coordinates","175778","2020-10-21","18:00:00",""
"4002648","32.8817","0.0005","32.8817","0.0005","40.272","0.003","90","","90","","120","","37709","3","173","2","173","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C35.75 H25.8 N3.28 O8 Zn2 -","- C35.745 H25.796 N3.28233 O8 Zn2 -","- C643.41 H464.328 N59.082 O144 Zn36 -","18","1","","Lee, Seok J.; Doussot, Celine; Baux, Anthony; Liu, Lujia; Jameson, Geoffrey B.; Richardson, Christopher; Pak, Joshua J.; Trousselet, Fabien; Coudert, François-Xavier; Telfer, Shane G.","Multicomponent Metal‒Organic Frameworks as Defect-Tolerant Materials","Chemistry of Materials","2016","28","1","368","","10.1021/acs.chemmater.5b04306","","","1.54178","CuKα","","0.0931","0.0775","","","0.2572","0.2665","","","","","","1.128","","","","has coordinates","175778","2020-10-21","18:00:00",""
"4002650","28.9416","0.0004","28.9416","0.0004","28.9416","0.0004","90","","90","","90","","24242","0.6","100","2","100","2","","","","","","","","5","P 4 3 2","P 4 2 3","207","UHM-25-Ala-Boc","","","- C36 H32 Cu2 N O13 -","- C32.625 H25.125 Cu2 N O11.5 -","- C391.5 H301.5 Cu24 N12 O138 -","12","0.5","","Sartor, Michael; Stein, Timo; Hoffmann, Frank; Fröba, Michael","A New Set of Isoreticular, Homochiral Metal‒Organic Frameworks with ucp Topology","Chemistry of Materials","2016","28","2","519","","10.1021/acs.chemmater.5b03723","","","1.54178","CuKα","","0.0857","0.0772","","","0.2309","0.2414","","","","","","1.097","","","","has coordinates","175774","2020-10-21","18:00:00",""
"4002651","29.0261","0.0006","29.0261","0.0006","29.0261","0.0006","90","","90","","90","","24454.9","0.9","100","2","100","2","","","","","","","","5","P 4 3 2","P 4 2 3","207","UHM-25-Pro","","","- C33 H27 Cu2 N O11 -","- C33 H27 Cu2 N O11 -","- C396 H324 Cu24 N12 O132 -","12","0.5","","Sartor, Michael; Stein, Timo; Hoffmann, Frank; Fröba, Michael","A New Set of Isoreticular, Homochiral Metal‒Organic Frameworks with ucp Topology","Chemistry of Materials","2016","28","2","519","","10.1021/acs.chemmater.5b03723","","","1.54184","CuKα","","0.149","0.1208","","","0.3108","0.3364","","","","","","1.09","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4002653","12.7943","0.0008","6.3019","0.0004","10.577","0.0005","90","","90","","90","","852.81","0.09","293","","293","","","","","","","","","6","P n a n","-P 2n 2bc","52","","","","- F K0.119 Li0.7 O4 P V -","- F K0.119 Li0.7 O4 P V -","- F8 K0.952 Li5.6 O32 P8 V8 -","8","1","","Fedotov, Stanislav S.; Khasanova, Nellie R.; Samarin, Aleksandr Sh.; Drozhzhin, Oleg A.; Batuk, Dmitry; Karakulina, Olesia M.; Hadermann, Joke; Abakumov, Artem M.; Antipov, Evgeny V.","AVPO4F (A = Li, K): A 4 V Cathode Material for High-Power Rechargeable Batteries","Chemistry of Materials","2016","28","2","411","","10.1021/acs.chemmater.5b04065","","electron","0.0251","electron","","0.3257","0.2502","","","0.2521","0.2544","","","","11.34","11.34","8.38","","","","has coordinates","288310","2023-12-14","13:40:52",""
"4002654","12.82","0.0003","6.39516","0.00014","10.61151","0.00017","90","","90","","90","","869.99","0.03","293","","293","","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- F K O4 P V -","- F K O4 P V -","- F8 K8 O32 P8 V8 -","8","2","","Fedotov, Stanislav S.; Khasanova, Nellie R.; Samarin, Aleksandr Sh.; Drozhzhin, Oleg A.; Batuk, Dmitry; Karakulina, Olesia M.; Hadermann, Joke; Abakumov, Artem M.; Antipov, Evgeny V.","AVPO4F (A = Li, K): A 4 V Cathode Material for High-Power Rechargeable Batteries","Chemistry of Materials","2016","28","2","411","","10.1021/acs.chemmater.5b04065","powder diffraction","x-ray","1.5418","CuKa","","0.0319","0.0271","","0.0304","0.0281","","","","1.51","","","","","","","has coordinates","288310","2023-12-14","13:40:52",""
"4002655","12.928","0.0008","6.2741","0.0004","10.6536","0.0006","90","","90","","90","","864.13","0.09","293","","293","","","","","","","","","5","P n a n","-P 2n 2bc","52","","","","- F K0.173 O4 P V -","- F K0.173 O4 P V -","- F8 K1.384 O32 P8 V8 -","8","1","","Fedotov, Stanislav S.; Khasanova, Nellie R.; Samarin, Aleksandr Sh.; Drozhzhin, Oleg A.; Batuk, Dmitry; Karakulina, Olesia M.; Hadermann, Joke; Abakumov, Artem M.; Antipov, Evgeny V.","AVPO4F (A = Li, K): A 4 V Cathode Material for High-Power Rechargeable Batteries","Chemistry of Materials","2016","28","2","411","","10.1021/acs.chemmater.5b04065","","electron","0.0251","electron","","0.2139","0.2023","","","0.2181","0.2183","","","","12.47","12.47","11.93","","","","has coordinates","288310","2023-12-14","13:40:52",""
"4002656","6.405","0.0006","6.405","0.0006","6.1427","0.0006","90","","90","","120","","218.24","0.04","293","2","293","2","","","","","","","","3","P 61 2 2","P 61 2 (0 0 5)","178","","","","- Al1.62 Na1.62 Sn4.38 -","- Al1.62 Na1.62 Sn4.38 -","- Al1.62 Na1.62 Sn4.38 -","1","0.0833333","","Kanno, Masahiro; Yamada, Takahiro; Yamane, Hisanori; Nagai, Hideaki","Synthesis, Crystal Structure, and Thermoelectric Properties of Na2+xAl2+xSn4‒x(x= −0.38, ‒0.24)","Chemistry of Materials","2016","28","2","601","","10.1021/acs.chemmater.5b04239","","","0.71075","MoKα","","0.012","0.0108","","","0.0216","0.0219","","","","","","1.128","","","","has coordinates","208253","2020-10-21","18:00:00",""
"4002657","6.3984","0.0003","6.3984","0.0003","6.1529","0.0003","90","","90","","120","","218.149","0.018","293","2","293","2","","","","","","","","3","P 61 2 2","P 61 2 (0 0 5)","178","","","","- Al1.76 Na1.76 Sn4.24 -","- Al1.758 Na1.758 Sn4.242 -","- Al1.758 Na1.758 Sn4.242 -","1","0.0833333","","Kanno, Masahiro; Yamada, Takahiro; Yamane, Hisanori; Nagai, Hideaki","Synthesis, Crystal Structure, and Thermoelectric Properties of Na2+xAl2+xSn4‒x(x= −0.38, ‒0.24)","Chemistry of Materials","2016","28","2","601","","10.1021/acs.chemmater.5b04239","","","0.71075","MoKα","","0.0134","0.0126","","","0.0263","0.0266","","","","","","1.119","","","","has coordinates","208253","2020-10-21","18:00:00",""
"4002658","5.1965","0.0002","5.1965","0.0002","6.3464","0.0003","90","","90","","90","","171.376","0.012","1023","","1023","","","","","","","","","3","P 41 21 2","P 4abw 2nw","92","γ-lithium aluminate","γ-lithium aluminium dioxide","","- Al Li O2 -","- Al Li O2 -","- Al4 Li4 O8 -","4","0.5","","Wiedemann, Dennis; Nakhal, Suliman; Rahn, Johanna; Witt, Elena; Islam, Mazharul M.; Zander, Stefan; Heitjans, Paul; Schmidt, Harald; Bredow, Thomas; Wilkening, Martin; Lerch, Martin","Unravelling Ultraslow Lithium-Ion Diffusion in γ-LiAlO2: Experiments with Tracers, Neutrons, and Charge Carriers","Chemistry of Materials","2016","28","3","915","","10.1021/acs.chemmater.5b04608","powder diffraction","neutron","1.7982","neutron","","0.0199","0.0136","","0.0191","0.0132","","","0.0196","1.15","","","","","","","has coordinates","177394","2020-10-21","18:00:00",""
"4002659","5.15885","0.00017","5.15885","0.00017","6.27","0.0003","90","","90","","90","","166.868","0.011","345","","345","","","","","","","","","3","P 41 21 2","P 4abw 2nw","92","γ-lithium aluminate","γ-lithium aluminium dioxide","","- Al Li O2 -","- Al Li O2 -","- Al4 Li4 O8 -","4","0.5","","Wiedemann, Dennis; Nakhal, Suliman; Rahn, Johanna; Witt, Elena; Islam, Mazharul M.; Zander, Stefan; Heitjans, Paul; Schmidt, Harald; Bredow, Thomas; Wilkening, Martin; Lerch, Martin","Unravelling Ultraslow Lithium-Ion Diffusion in γ-LiAlO2: Experiments with Tracers, Neutrons, and Charge Carriers","Chemistry of Materials","2016","28","3","915","","10.1021/acs.chemmater.5b04608","powder diffraction","neutron","1.7982","neutron","","0.021","0.0177","","0.0196","0.0193","","","0.028","1.39","","","","","","","has coordinates","177394","2020-10-21","18:00:00",""
"4002660","5.2252","0.0002","5.2252","0.0002","6.4038","0.0003","90","","90","","90","","174.841","0.013","1475","","1475","","","","","","","","","3","P 41 21 2","P 4abw 2nw","92","γ-lithium aluminate","γ-lithium aluminium dioxide","","- Al Li O2 -","- Al Li O2 -","- Al4 Li4 O8 -","4","0.5","","Wiedemann, Dennis; Nakhal, Suliman; Rahn, Johanna; Witt, Elena; Islam, Mazharul M.; Zander, Stefan; Heitjans, Paul; Schmidt, Harald; Bredow, Thomas; Wilkening, Martin; Lerch, Martin","Unravelling Ultraslow Lithium-Ion Diffusion in γ-LiAlO2: Experiments with Tracers, Neutrons, and Charge Carriers","Chemistry of Materials","2016","28","3","915","","10.1021/acs.chemmater.5b04608","powder diffraction","neutron","1.7982","neutron","","0.0167","0.0115","","0.0132","0.012","","","0.016","1.2","","","","","","","has coordinates","177394","2020-10-21","18:00:00",""
"4002661","9.42424","0.00012","4.05707","0.00005","13.34148","0.00018","90","","121.955","0.0007","90","","432.809","0.01","295","","295","","","","101.3","","","","","4","P 1 21/c 1","-P 2ybc","14","Strontium Oxide Antimony Selenide","Distrontium dioxide diantimony triselenide","","- O2 Sb2 Se3 Sr2 -","- O2 Sb2 Se3 Sr2 -","- O4 Sb4 Se6 Sr4 -","2","0.5","","Panella, Jessica R.; Chamorro, Juan; McQueen, Tyrel M.","Synthesis and Structure of Three New Oxychalcogenides: A2O2Bi2Se3(A = Sr, Ba) and Sr2O2Sb2Se3","Chemistry of Materials","2016","28","3","890","","10.1021/acs.chemmater.5b04536","","x-ray","1.5406","CuKα","CuK-L~3~","","","","","","","","","1.67","","","","","","","has coordinates","177393","2020-10-21","18:00:00",""
"4002662","9.49954","0.00004","4.084794","0.000016","13.43734","0.00005","90","","122.861","0.0002","90","","437.984","0.003","295","","295","","","","101.3","","","","","4","P 1 21/c 1","-P 2ybc","14","Strontium Oxide Bismuth Selenide","Distrontium dioxide dibismuth triselenide","","- Bi2 O2 Se3 Sr2 -","- Bi2 O2 Se3 Sr2 -","- Bi4 O4 Se6 Sr4 -","2","0.5","","Panella, Jessica R.; Chamorro, Juan; McQueen, Tyrel M.","Synthesis and Structure of Three New Oxychalcogenides: A2O2Bi2Se3(A = Sr, Ba) and Sr2O2Sb2Se3","Chemistry of Materials","2016","28","3","890","","10.1021/acs.chemmater.5b04536","","x-ray","1.5406","CuKα","CuK-L~3~","","","","","","","","","1.7","","","","","","","has coordinates","177393","2020-10-21","18:00:00",""
"4002663","9.82047","0.00006","4.19033","0.00003","13.90442","0.00008","90","","123.692","0.0003","90","","476.073","0.006","295","","295","","","","101.3","","","","","4","P 1 21/c 1","-P 2ybc","14","Barium Oxide Bismuth Selenide","Dibarium dioxide dibismuth triselenide","","- Ba2 Bi2 O2 Se3 -","- Ba2 Bi2 O2 Se3 -","- Ba4 Bi4 O4 Se6 -","2","0.5","","Panella, Jessica R.; Chamorro, Juan; McQueen, Tyrel M.","Synthesis and Structure of Three New Oxychalcogenides: A2O2Bi2Se3(A = Sr, Ba) and Sr2O2Sb2Se3","Chemistry of Materials","2016","28","3","890","","10.1021/acs.chemmater.5b04536","","x-ray","1.5406","CuKα","CuK-L~3~","","","","","","","","","1.78","","","","","","","has coordinates","177393","2020-10-21","18:00:00",""
"4002664","22.415","0.003","22.415","0.003","22.415","0.003","90","","90","","90","","11262","3","293","2","293","2","","","","","","","","4","F d -3 m :2","-F 4vw 2vw 3","227","Calcium lithium nitridoaluminate","","","- Al156 Ca75.04 Li42.05 N220 -","- Al156 Ca75.04 Li42.048 N220 -","- Al312 Ca150.08 Li84.096 N440 -","2","0.0104167","","Wagatha, Peter; Pust, Philipp; Weiler, Volker; Wochnik, Angela S.; Schmidt, Peter J.; Scheu, Christina; Schnick, Wolfgang","Ca18.75Li10.5[Al39N55]:Eu2+—Supertetrahedron Phosphor for Solid-State Lighting","Chemistry of Materials","2016","28","4","1220","","10.1021/acs.chemmater.5b04929","","","0.71073","MoKα","","0.0414","0.0257","","","0.0569","0.0604","","","","","","0.991","","","","has coordinates","177392","2020-10-21","18:00:00",""
"4002665","30.927","0.004","26.416","0.003","31.341","0.004","90","","90","","90","","25605","5","291","2","291","2","","","","","","","","8","P n m a","-P 2ac 2n","62","","","","- C210 H175 Au25 Cl2 F6 P10 Sb Se5 -","- C210 H175 Au25 Cl2 F6 P10 Sb Se5 -","- C840 H700 Au100 Cl8 F24 P40 Sb4 Se20 -","4","0.5","","Song, Yongbo; Jin, Shan; Kang, Xi; Xiang, Ji; Deng, Huijuan; Yu, Haizhu; Zhu, Manzhou","How a Single Electron Affects the Properties of the “Non-Superatom” Au25Nanoclusters","Chemistry of Materials","2016","28","8","2609","","10.1021/acs.chemmater.5b04655","","","0.71073","MoKα","","0.0501","0.0503","","","0.1211","0.1215","","","","","","1.065","","","","has coordinates","182490","2020-10-21","18:00:00",""
"4002666","27.378","0.002","29.361","0.002","40.7368","0.0016","90","","133.273","0.002","90","","23842","3","291","2","291","2","","","","","","","","9","P 1 21/c 1","-P 2ybc","14","","","","- C234 H195 Au25 B Cl2 F6 P10 Sb Se5 -","- C234 H195 Au25 B Cl2 F6 P10 Sb Se5 -","- C936 H780 Au100 B4 Cl8 F24 P40 Sb4 Se20 -","4","1","","Song, Yongbo; Jin, Shan; Kang, Xi; Xiang, Ji; Deng, Huijuan; Yu, Haizhu; Zhu, Manzhou","How a Single Electron Affects the Properties of the “Non-Superatom” Au25Nanoclusters","Chemistry of Materials","2016","28","8","2609","","10.1021/acs.chemmater.5b04655","","","0.71073","MoKα","","0.0564","0.0549","","","0.1375","0.1379","","","","","","1.009","","","","has coordinates","182490","2020-10-21","18:00:00",""
"4002667","9.1111","0.0003","8.6338","0.0003","28.408","0.001","90","","90","","90","","2234.67","0.13","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C14 H20 I4 N2 Pb -","- C14 H20 I4 N2 Pb -","- C56 H80 I16 N8 Pb4 -","4","0.5","","Kamminga, Machteld E.; Fang, Hong-Hua; Filip, Marina R.; Giustino, Feliciano; Baas, Jacob; Blake, Graeme R.; Loi, Maria Antonietta; Palstra, Thomas T. M.","Confinement Effects in Low-Dimensional Lead Iodide Perovskite Hybrids","Chemistry of Materials","2016","28","13","4554","","10.1021/acs.chemmater.6b00809","","","0.71073","MoKα","","0.0183","0.0173","","","0.0428","0.0435","","","","","","1.18","","","","has coordinates","184455","2020-10-21","18:00:00",""
"4002668","8.7068","0.001","15.9947","0.0019","16.7613","0.0019","73.823","0.006","85.57","0.005","88.01","0.006","2234.9","0.5","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H48 I7 N3 Pb2 -","- C30 H48 I7 N3 Pb2 -","- C60 H96 I14 N6 Pb4 -","2","1","","Kamminga, Machteld E.; Fang, Hong-Hua; Filip, Marina R.; Giustino, Feliciano; Baas, Jacob; Blake, Graeme R.; Loi, Maria Antonietta; Palstra, Thomas T. M.","Confinement Effects in Low-Dimensional Lead Iodide Perovskite Hybrids","Chemistry of Materials","2016","28","13","4554","","10.1021/acs.chemmater.6b00809","","","0.71073","MoKα","","0.0949","0.0758","","","0.2021","0.2252","","","","","","1.184","","","","has coordinates","184456","2020-10-21","18:00:00",""
"4002669","8.5278","0.0008","29.824","0.003","33.208","0.003","90","","90","","90","","8445.9","1.4","100","2","100","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C54 H84 I14 N6 Pb4 -","- C54 H84 I14 N6 Pb4 -","- C216 H336 I56 N24 Pb16 -","4","1","","Kamminga, Machteld E.; Fang, Hong-Hua; Filip, Marina R.; Giustino, Feliciano; Baas, Jacob; Blake, Graeme R.; Loi, Maria Antonietta; Palstra, Thomas T. M.","Confinement Effects in Low-Dimensional Lead Iodide Perovskite Hybrids","Chemistry of Materials","2016","28","13","4554","","10.1021/acs.chemmater.6b00809","","","0.71073","MoKα","","0.0212","0.0202","","","0.0472","0.0478","","","","","","1.114","","","","has coordinates","184457","2020-10-21","18:00:00",""
"4002670","4.0576","0.0005","13.6319","0.0016","21.547","0.003","90","","90","","90","","1191.8","0.3","90","2","90","2","","","","","","","","4","C m c m","-C 2c 2","63","","","","- Cl La3 P6 Zn4 -","- Cl La3 P6 Zn4 -","- Cl4 La12 P24 Zn16 -","4","0.25","","Wang, Jian; Kaseman, Derrick; Lee, Kathleen; Sen, Sabyasachi; Kovnir, Kirill","Enclathration of X@La4Tetrahedra in Channels of Zn‒P Frameworks in La3Zn4P6X (X = Cl, Br)","Chemistry of Materials","2016","28","13","4741","","10.1021/acs.chemmater.6b01752","","","0.71073","MoKα","","0.0444","0.0313","","","0.0598","0.0644","","","","","","1.067","","","","has coordinates","184804","2020-10-21","18:00:00",""
"4002671","17.6943","0.001","17.6943","0.001","13.2921","0.0008","90","","90","","120","","3604.1","0.4","90","2","90","2","","","","","","","","6","P 63","P 6c","173","","","","- C24 H92 Ca Cu6 N6 O53 -","- C24 H87 Ca Cu6 N6 O52.9999 -","- C48 H174 Ca2 Cu12 N12 O106 -","2","0.333333","","Grancha, Thais; Ferrando-Soria, Jesús; Cano, Joan; Amorós, Pedro; Seoane, Beatriz; Gascon, Jorge; Bazaga-García, Montse; Losilla, Enrique R.; Cabeza, Aurelio; Armentano, Donatella; Pardo, Emilio","Insights into the Dynamics of Grotthuss Mechanism in a Proton-Conducting ChiralbioMOF","Chemistry of Materials","2016","28","13","4608","","10.1021/acs.chemmater.6b01286","","","0.71073","MoKα","","0.0452","0.0367","","","0.0966","0.1017","","","","","","1.062","","","","has coordinates","184805","2020-10-21","18:00:00",""
"4002672","10.07782","0.000019","10.07782","0.000019","33.44271","0.00009","90","","90","","120","","2941.48","0.011","293","","293","","","","","","","","","4","P 63 c m","P 6c -2","185","","","perovskite","- Ba14 Mn1.75 O42 Ta10.5 -","- Ba14 Mn1.75333 O42 Ta10.2533 -","- Ba42 Mn5.26 O126 Ta30.76 -","3","0.25","","Tao, Fengqiong; Genevois, Cécile; Lu, Fengqi; Kuang, Xiaojun; Porcher, Florence; Li, Liangju; Yang, Tao; Li, Wenbo; Zhou, Di; Allix, Mathieu","First 14-Layer Twinned Hexagonal Perovskite Ba14Mn1.75Ta10.5O42: Atomic-Scale Imaging of Cation Ordering","Chemistry of Materials","2016","28","13","4686","","10.1021/acs.chemmater.6b01566","","","1.225","","","","","","","","","","","","","","","","","","has coordinates","184806","2020-10-21","18:00:00",""
"4002673","5.818857","0.000007","5.818857","0.000007","33.43938","0.00009","90","","90","","120","","980.538","0.003","293","","293","","","","","","","","","4","P 63/m m c","-P 6c 2c","194","","","perovskite","- Ba14 Mn1.75 O42 Ta10.5 -","- Ba14 Mn1.75 O42 Ta10.41 -","- Ba14 Mn1.75 O42 Ta10.41 -","1","0.0416667","","Tao, Fengqiong; Genevois, Cécile; Lu, Fengqi; Kuang, Xiaojun; Porcher, Florence; Li, Liangju; Yang, Tao; Li, Wenbo; Zhou, Di; Allix, Mathieu","First 14-Layer Twinned Hexagonal Perovskite Ba14Mn1.75Ta10.5O42: Atomic-Scale Imaging of Cation Ordering","Chemistry of Materials","2016","28","13","4686","","10.1021/acs.chemmater.6b01566","","","1.225","","","","","","","","","","","","","","","","","","has coordinates","184806","2020-10-21","18:00:00",""
"4002674","10.3179","0.0011","10.3179","0.0011","8.3958","0.0013","90","","90","","120","","774.06","0.17","293","2","293","2","","","","","","","","5","R 3 m :H","R 3 -2""","160","","","","- B5 Be2 F O12 Sr3 -","- B4.68 Be2.32 F1.32 O11.68 Sr3 -","- B14.04 Be6.96 F3.96 O35.04 Sr9 -","3","0.166667","","Yu, Na; Wang, Shichao; Ye, Ning; Liang, Fei; Lin, Zheshuai; Luo, Min; Poeppelmeier, Kenneth R.","A Deep-Ultraviolet Nonlinear Optical Crystal: Strontium Beryllium Borate Fluoride with Planar Be(O/F)3Groups","Chemistry of Materials","2016","28","13","4563","","10.1021/acs.chemmater.6b01111","","x-ray","0.71073","MoKα","","0.0156","0.0156","","","0.037","0.037","","","","","","1.094","","","","has coordinates","184807","2020-10-21","18:00:00",""
"4002675","7.4676","0.0012","7.4676","0.0012","39.564","0.01","90","","90","","90","","2206.3","0.7","360","2","360","2","","","","","","","","5","I -4","I -4","82","","","","- C3.38 H0.12 Cl Cu N0.25 -","- C3 H8 Cl0.9975 Cu0.25 N0.5 -","- C48 H128 Cl15.96 Cu4 N8 -","16","2","","Ferreira, Cauê F.; Pérez-Cordero, Eduardo E.; Abboud, Khalil A.; Talham, Daniel R.","Reversible Medium-Dependent Solid‒Solid Phase Transformations in Two-Dimensional Hybrid Perovskites","Chemistry of Materials","2016","28","15","5522","","10.1021/acs.chemmater.6b02208","","","0.71073","MoKα","","0.172","0.118","","","0.2876","0.3166","","","","","","2.18","","","","has coordinates,has disorder","186208","2020-10-21","18:00:00",""
"4002676","10.4935","0.0004","10.5081","0.0004","18.6574","0.0007","81.916","0.001","79.455","0.001","88.315","0.001","2002.43","0.13","233","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C12 H32 Cl4 Cu N2 -","- C12 H32 Cl4 Cu N2 -","- C48 H128 Cl16 Cu4 N8 -","4","2","","Ferreira, Cauê F.; Pérez-Cordero, Eduardo E.; Abboud, Khalil A.; Talham, Daniel R.","Reversible Medium-Dependent Solid‒Solid Phase Transformations in Two-Dimensional Hybrid Perovskites","Chemistry of Materials","2016","28","15","5522","","10.1021/acs.chemmater.6b02208","","","0.71073","MoKα","","0.0733","0.0542","","","0.1639","0.1847","","","","","","1.053","","","","has coordinates,has disorder","186209","2020-10-21","18:00:00",""
"4002677","9.7756","0.0008","10.5354","0.0009","14.2909","0.0012","80.888","0.004","87.554","0.004","67.288","0.004","1340.3","0.2","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C58 H72 N2 O2 S6 -","- C58 H72 N2 O2 S6 -","- C58 H72 N2 O2 S6 -","1","0.5","","Huang, Chi-Feng; Wu, San-Lien; Huang, Yi-Fan; Chen, Ying-Cheng; Chang, Shu-Ting; Wu, Tzu-Yi; Wu, Kuan-Yi; Chuang, Wei-Tsung; Wang, Chien-Lung","Packing Principles for Donor‒Acceptor Oligomers from Analysis of Single Crystals","Chemistry of Materials","2016","28","15","5175","","10.1021/acs.chemmater.6b00671","","","0.71073","MoKα","","0.1041","0.0778","","","0.2262","0.2654","","","","","","1.125","","","","has coordinates","186210","2020-10-21","18:00:00",""
"4002678","7.7059","0.0003","18.4574","0.0007","8.7525","0.0003","90","","90","","90","","1244.88","0.08","173","2","173","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C4 H14 Cl4 F2 N2 Pb -","- C4 H14 Cl4 F2 N2 Pb -","- C16 H56 Cl16 F8 N8 Pb4 -","4","0.5","","Lermer, Claudia; Birkhold, Susanne T.; Moudrakovski, Igor L.; Mayer, Peter; Schoop, Leslie M.; Schmidt-Mende, Lukas; Lotsch, Bettina V.","Toward Fluorinated Spacers for MAPI-Derived Hybrid Perovskites: Synthesis, Characterization, and Phase Transitions of (FC2H4NH3)2PbCl4","Chemistry of Materials","2016","28","18","6560","","10.1021/acs.chemmater.6b02151","","","0.71073","MoKα","","0.0184","0.0115","","","0.0232","0.025","","","","","","1.08","","","","has coordinates","186902","2020-10-21","18:00:00",""
"4002679","4.4434","0.0002","11.2688","0.0006","13.7677","0.0007","83.8913","0.0014","81.48","0.0017","83.1354","0.0017","674.11","0.06","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C5 H14 Br3 F N2 O Pb -","- C5 H14 Br3 F N2 O Pb -","- C10 H28 Br6 F2 N4 O2 Pb2 -","2","1","","Lermer, Claudia; Birkhold, Susanne T.; Moudrakovski, Igor L.; Mayer, Peter; Schoop, Leslie M.; Schmidt-Mende, Lukas; Lotsch, Bettina V.","Toward Fluorinated Spacers for MAPI-Derived Hybrid Perovskites: Synthesis, Characterization, and Phase Transitions of (FC2H4NH3)2PbCl4","Chemistry of Materials","2016","28","18","6560","","10.1021/acs.chemmater.6b02151","","","0.71073","MoKα","","0.0333","0.0247","","","0.0498","0.0523","","","","","","1.052","","","","has coordinates","186902","2020-10-21","18:00:00",""
"4002680","27.88","0.003","27.88","0.003","16.0459","0.0018","90","","90","","120","","10801","2","173","2","173","2","","","","","","","","6","R -3 m :H","-R 3 2""","166","Pan004","","","- C48 H96 Bi7 I24 Na3 O12 -","- Bi7 I24 Na3 -","- Bi21 I72 Na9 -","3","0.0833333","","Hamdeh, Umar H.; Nelson, Rainie D.; Ryan, Bradley J.; Bhattacharjee, Ujjal; Petrich, Jacob W.; Panthani, Matthew G.","Solution-Processed BiI3Thin Films for Photovoltaic Applications: Improved Carrier Collection via Solvent Annealing","Chemistry of Materials","2016","28","18","6567","","10.1021/acs.chemmater.6b02347","","","0.71073","MoKα","","0.0699","0.036","","","0.1073","0.161","","","","","","0.731","","","","has coordinates","286259","2023-09-07","05:55:28",""
"4002681","15.1588","0.001","30.997","0.002","15.7999","0.001","90","","117.826","0.001","90","","6565.6","0.7","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C24 H56 Bi4 I12 N8 O8 -","- C24 H56 Bi4 I12 N8 O8 -","- C96 H224 Bi16 I48 N32 O32 -","4","1","","Hamdeh, Umar H.; Nelson, Rainie D.; Ryan, Bradley J.; Bhattacharjee, Ujjal; Petrich, Jacob W.; Panthani, Matthew G.","Solution-Processed BiI3Thin Films for Photovoltaic Applications: Improved Carrier Collection via Solvent Annealing","Chemistry of Materials","2016","28","18","6567","","10.1021/acs.chemmater.6b02347","","","0.71073","MoKα","","0.0715","0.0406","","","0.0858","0.1045","","","","","","1.067","","","","has coordinates","186904","2020-10-21","18:00:00",""
"4002682","8.3699","0.0004","10.7774","0.0006","22.7215","0.0012","90","","91.857","0.001","90","","2048.53","0.19","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","(py3tren)Al","","","- C21 H24 Al N7 -","- C21 H24 Al N7 -","- C84 H96 Al4 N28 -","4","1","","Thompson, Anthony B.; Pahls, Dale R.; Bernales, Varinia; Gallington, Leighanne C.; Malonzo, Camille D.; Webber, Thomas; Tereniak, Stephen J.; Wang, Timothy C.; Desai, Sai Puneet; Li, Zhanyong; Kim, In Soo; Gagliardi, Laura; Penn, R. Lee; Chapman, Karena W.; Stein, Andreas; Farha, Omar K.; Hupp, Joseph T.; Martinson, Alex B. F.; Lu, Connie C.","Installing Heterobimetallic Cobalt‒Aluminum Single Sites on a Metal Organic Framework Support","Chemistry of Materials","2016","28","18","6753","","10.1021/acs.chemmater.6b03244","","","0.71073","MoKα","","0.0536","0.0383","","","0.0914","0.1002","","","","","","1.022","","","","has coordinates","186905","2020-10-21","18:00:00",""
"4002683","14.511","0.002","9.9585","0.0014","15.004","0.002","90","","101.548","0.002","90","","2124.3","0.5","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","(py3tren)AlCoCl","","","- C21 H24 Al Cl Co N7 -","- C21 H24 Al Cl Co N7 -","- C84 H96 Al4 Cl4 Co4 N28 -","4","1","","Thompson, Anthony B.; Pahls, Dale R.; Bernales, Varinia; Gallington, Leighanne C.; Malonzo, Camille D.; Webber, Thomas; Tereniak, Stephen J.; Wang, Timothy C.; Desai, Sai Puneet; Li, Zhanyong; Kim, In Soo; Gagliardi, Laura; Penn, R. Lee; Chapman, Karena W.; Stein, Andreas; Farha, Omar K.; Hupp, Joseph T.; Martinson, Alex B. F.; Lu, Connie C.","Installing Heterobimetallic Cobalt‒Aluminum Single Sites on a Metal Organic Framework Support","Chemistry of Materials","2016","28","18","6753","","10.1021/acs.chemmater.6b03244","","","0.71073","MoKα","","0.0647","0.0368","","","0.074","0.0842","","","","","","1.008","","","","has coordinates","186905","2020-10-21","18:00:00",""
"4002684","9.3796","0.0015","10.578","0.0017","14.373","0.002","78.924","0.002","72.613","0.002","81.559","0.002","1329.4","0.4","173","2","173","2","","","","","","","","5","P -1","-P 1","2","(py3tren)AlCoMe","(py3tren)AlCoMe","","- C28 H33 Al Co N7 -","- C28 H33 Al Co N7 -","- C56 H66 Al2 Co2 N14 -","2","1","","Thompson, Anthony B.; Pahls, Dale R.; Bernales, Varinia; Gallington, Leighanne C.; Malonzo, Camille D.; Webber, Thomas; Tereniak, Stephen J.; Wang, Timothy C.; Desai, Sai Puneet; Li, Zhanyong; Kim, In Soo; Gagliardi, Laura; Penn, R. Lee; Chapman, Karena W.; Stein, Andreas; Farha, Omar K.; Hupp, Joseph T.; Martinson, Alex B. F.; Lu, Connie C.","Installing Heterobimetallic Cobalt‒Aluminum Single Sites on a Metal Organic Framework Support","Chemistry of Materials","2016","28","18","6753","","10.1021/acs.chemmater.6b03244","","","0.71073","MoKα","","0.0595","0.0401","","","0.0892","0.099","","","","","","1.026","","","","has coordinates,has disorder","186905","2020-10-21","18:00:00",""
"4002685","10.724","0.002","15.309","0.003","15.309","","90","","90","","90","","2513.3","0.7","173","2","173","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","(py3tren)AlCoOPh","(py3tren)AlCoOPh","","- C27 H29 Al Co N7 O -","- C27 H29 Al Co N7 O -","- C108 H116 Al4 Co4 N28 O4 -","4","1","","Thompson, Anthony B.; Pahls, Dale R.; Bernales, Varinia; Gallington, Leighanne C.; Malonzo, Camille D.; Webber, Thomas; Tereniak, Stephen J.; Wang, Timothy C.; Desai, Sai Puneet; Li, Zhanyong; Kim, In Soo; Gagliardi, Laura; Penn, R. Lee; Chapman, Karena W.; Stein, Andreas; Farha, Omar K.; Hupp, Joseph T.; Martinson, Alex B. F.; Lu, Connie C.","Installing Heterobimetallic Cobalt‒Aluminum Single Sites on a Metal Organic Framework Support","Chemistry of Materials","2016","28","18","6753","","10.1021/acs.chemmater.6b03244","","","0.71073","MoKα","","0.0359","0.0333","","","0.0827","0.0843","","","","","","1.016","","","","has coordinates","186905","2020-10-21","18:00:00",""
"4002686","8.176483","0.000076","8.176483","0.000076","3.35754","0.000036","90","","90","","90","","224.468","0.004","300","","300","","","","","","","","","5","I 4/m","-I 4","87","","","","- Al3.94 Ce0.03 Mg4.06 N8 Sr1.97 -","- Al3.936 Ce0.03 Mg4.064 N8 Sr1.97 -","- Al3.936 Ce0.03 Mg4.064 N8 Sr1.97 -","1","0.0625","","Leano, Julius; Lin, Shing-Ying; Mahlik, Sebastian; Grinberg, Marek; Liang, Chaolun; Zhou, Wuzong; Molokeev, Maxim; Atuchin, Victor; Tsai, Yi-Ting; Lin, Cun Che; Sheu, Hwo-Shuenn; Liu, Ru-Shi","Green Light-excitable Ce-doped Nitridomagnesoaluminate Sr[Mg2Al2N4] Phosphor for White Light-emitting Diodes","Chemistry of Materials","2016","28","19","6822","6825","10.1021/acs.chemmater.6b03442","powder diffraction","x-ray","0.68863","synchrotron","","","","","","","","","0.745","0.264","","","","","","","has coordinates","205493","2020-10-21","18:00:00",""
"4002689","10.3481","0.0004","11.3487","0.0004","10.7207","0.0003","90","","111.199","0.0012","90","","1173.82","0.07","200","2","200","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C26 H30 N2 O2 S2 -","- C26 H30 N2 O2 S2 -","- C52 H60 N4 O4 S4 -","2","0.5","","Zhang, Zhiyun; Chen, Yi-An; Hung, Wen-Yi; Tang, Wei-Feng; Hsu, Yen-Hao; Chen, Chi-Lin; Meng, Fan-Yi; Chou, Pi-Tai","Control of the Reversibility of Excited-State Intramolecular Proton Transfer (ESIPT) Reaction: Host-Polarity Tuning White Organic Light Emitting Diode on a New Thiazolo[5,4-d]thiazole ESIPT System","Chemistry of Materials","2016","28","23","8815","","10.1021/acs.chemmater.6b04707","","","0.71073","MoKα","","0.0471","0.0342","","","0.0805","0.0858","","","","","","1.03","","","","has coordinates","189938","2020-10-21","18:00:00",""
"4002690","9.8522","0.0002","10.8009","0.0002","11.8811","0.0003","116.941","0.0008","95.0276","0.0008","91.8151","0.0008","1119.12","0.04","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","","","- C25 H28 N2 O2 S2 -","- C25 H28 N2 O2 S2 -","- C50 H56 N4 O4 S4 -","2","1","","Zhang, Zhiyun; Chen, Yi-An; Hung, Wen-Yi; Tang, Wei-Feng; Hsu, Yen-Hao; Chen, Chi-Lin; Meng, Fan-Yi; Chou, Pi-Tai","Control of the Reversibility of Excited-State Intramolecular Proton Transfer (ESIPT) Reaction: Host-Polarity Tuning White Organic Light Emitting Diode on a New Thiazolo[5,4-d]thiazole ESIPT System","Chemistry of Materials","2016","28","23","8815","","10.1021/acs.chemmater.6b04707","","","1.54178","CuKα","","0.0484","0.0413","","","0.1065","0.1112","","","","","","1.048","","","","has coordinates","189938","2020-10-21","18:00:00",""
"4002691","11.6583","0.0003","5.5671","0.0001","22.911","0.0006","90","","100.901","0.002","90","","1460.16","0.06","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","SBMOF1_C2H2","","","- C14.69 H8.69 Ca O6 S -","- C14.69 H8.69 Ca O6 S -","- C58.76 H34.76 Ca4 O24 S4 -","4","1","","Plonka, Anna M.; Chen, Xianyin; Wang, Hao; Krishna, Rajamani; Dong, Xinglong; Banerjee, Debasis; Woerner, William R.; Han, Yu; Li, Jing; Parise, John B.","Light Hydrocarbon Adsorption Mechanisms in Two Calcium-Based Microporous Metal Organic Frameworks","Chemistry of Materials","2016","28","6","1636","1646","10.1021/acs.chemmater.5b03792","","","1.54184","CuKα","","0.0569","0.0446","","","0.1152","0.1221","","","","","","1.106","","","","has coordinates,has disorder","275236","2022-05-09","00:14:58",""
"4002692","11.5955","0.0003","5.5581","0.0001","22.9548","0.0005","90","","101.062","0.003","90","","1451.93","0.06","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","SBMOF1_C2H4","","","- C14.67 H9.35 Ca O6 S -","- C14.68 H9.36 Ca O6 S -","- C58.72 H37.44 Ca4 O24 S4 -","4","1","","Plonka, Anna M.; Chen, Xianyin; Wang, Hao; Krishna, Rajamani; Dong, Xinglong; Banerjee, Debasis; Woerner, William R.; Han, Yu; Li, Jing; Parise, John B.","Light Hydrocarbon Adsorption Mechanisms in Two Calcium-Based Microporous Metal Organic Frameworks","Chemistry of Materials","2016","28","6","1636","1646","10.1021/acs.chemmater.5b03792","","","0.71073","MoKα","","0.0442","0.0346","","","0.0845","0.0905","","","","","","1.053","","","","has coordinates,has disorder","275236","2022-05-09","00:14:58",""
"4002693","11.6667","0.0011","5.5586","0.0005","22.935","0.002","90","","101.011","0.003","90","","1460","0.2","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","SBMOF1_C2H6","","","- C14.86 H10.58 Ca O6 S -","- C14.86 H10.58 Ca O6 S -","- C59.44 H42.32 Ca4 O24 S4 -","4","1","","Plonka, Anna M.; Chen, Xianyin; Wang, Hao; Krishna, Rajamani; Dong, Xinglong; Banerjee, Debasis; Woerner, William R.; Han, Yu; Li, Jing; Parise, John B.","Light Hydrocarbon Adsorption Mechanisms in Two Calcium-Based Microporous Metal Organic Frameworks","Chemistry of Materials","2016","28","6","1636","1646","10.1021/acs.chemmater.5b03792","","","0.41328","","","0.1098","0.0998","","","0.2532","0.2658","","","","","","1.082","","","","has coordinates","275236","2022-05-09","00:14:58",""
"4002694","5.1634","0.0002","10.5518","0.0005","15.4849","0.0007","82.725","0.004","87.233","0.004","83.782","0.004","831.44","0.06","100","2","100","2","","","","","","","","4","P -1","-P 1","2","SBMOF2_C2H2","","","- C37.5 H23.5 Ca O8 -","- C37.502 H23.502 Ca O8 -","- C37.502 H23.502 Ca O8 -","1","0.5","","Plonka, Anna M.; Chen, Xianyin; Wang, Hao; Krishna, Rajamani; Dong, Xinglong; Banerjee, Debasis; Woerner, William R.; Han, Yu; Li, Jing; Parise, John B.","Light Hydrocarbon Adsorption Mechanisms in Two Calcium-Based Microporous Metal Organic Frameworks","Chemistry of Materials","2016","28","6","1636","1646","10.1021/acs.chemmater.5b03792","","","0.71073","MoKα","","0.0682","0.0464","","","0.1103","0.1244","","","","","","1.037","","","","has coordinates,has disorder","275236","2022-05-09","00:14:58",""
"4002695","5.1803","0.0003","10.6508","0.0005","15.2914","0.0006","82.591","0.004","85.945","0.004","82.739","0.004","828.67","0.07","100","2","100","2","","","","","","","","4","P -1","-P 1","2","SBMOF1_C2H2","","","- C36.93 H25.86 Ca O8 -","- C36.93 H25.86 Ca O8 -","- C36.93 H25.86 Ca O8 -","1","0.5","","Plonka, Anna M.; Chen, Xianyin; Wang, Hao; Krishna, Rajamani; Dong, Xinglong; Banerjee, Debasis; Woerner, William R.; Han, Yu; Li, Jing; Parise, John B.","Light Hydrocarbon Adsorption Mechanisms in Two Calcium-Based Microporous Metal Organic Frameworks","Chemistry of Materials","2016","28","6","1636","1646","10.1021/acs.chemmater.5b03792","","","1.54184","CuKα","","0.0743","0.053","","","0.1155","0.126","","","","","","1.07","","","","has coordinates,has disorder","275236","2022-05-09","00:14:58",""
"4002696","5.2195","0.0002","10.5691","0.0005","15.3604","0.0007","82.533","0.001","86.657","0.001","83","0.001","833.14","0.06","100","2","100","2","","","","","","","","4","P -1","-P 1","2","SBMOF2_C2H6","","","- C37.16 H29.47 Ca O8 -","- C37.158 H29.474 Ca O8 -","- C37.158 H29.474 Ca O8 -","1","0.5","","Plonka, Anna M.; Chen, Xianyin; Wang, Hao; Krishna, Rajamani; Dong, Xinglong; Banerjee, Debasis; Woerner, William R.; Han, Yu; Li, Jing; Parise, John B.","Light Hydrocarbon Adsorption Mechanisms in Two Calcium-Based Microporous Metal Organic Frameworks","Chemistry of Materials","2016","28","6","1636","1646","10.1021/acs.chemmater.5b03792","","","0.41328","","","0.0426","0.0384","","","0.1169","0.1298","","","","","","1.208","","","","has coordinates","275236","2022-05-09","00:14:58",""
"4002697","7.4945","0.0002","14.2896","0.0004","14.8234","0.0004","95.64","0.002","101.855","0.002","92.943","0.002","1541.93","0.07","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","","","- C31 H29 Fe N13 O Pt -","- C31 H29 Fe N13 O Pt -","- C62 H58 Fe2 N26 O2 Pt2 -","2","1","","Pittala, Narsimhulu; Thétiot, Franck; Triki, Smail; Boukheddaden, Kamel; Chastanet, Guillaume; Marchivie, Mathieu","Cooperative 1D Triazole-Based Spin Crossover FeII Material With Exceptional Mechanical Resilience","Chemistry of Materials","2016","","","","","10.1021/acs.chemmater.6b04118","","x-ray","0.71073","MoKα","","0.0445","0.0325","","","0.0713","0.0794","","","","","","1.089","","","","has coordinates","204142","2020-10-21","18:00:00",""
"4002698","7.8931","0.0002","14.5363","0.0004","14.6867","0.0004","94.86","0.002","103.461","0.002","94.187","0.002","1625.42","0.08","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C31 H29 Fe N13 O Pt -","- C31 H29 Fe N13 O Pt -","- C62 H58 Fe2 N26 O2 Pt2 -","2","1","","Pittala, Narsimhulu; Thétiot, Franck; Triki, Smail; Boukheddaden, Kamel; Chastanet, Guillaume; Marchivie, Mathieu","Cooperative 1D Triazole-Based Spin Crossover FeII Material With Exceptional Mechanical Resilience","Chemistry of Materials","2016","","","","","10.1021/acs.chemmater.6b04118","","x-ray","0.71073","MoKα","","0.0509","0.035","","","0.0723","0.0807","","","","","","1.031","","","","has coordinates","189525","2020-10-21","18:00:00",""
"4003191","8.7442","0.0006","20.7536","0.0014","34.333","0.002","90","","90","","90","","6230.5","0.7","293","","293","","","","","","","","","4","F d d d :2","-F 2uv 2vw","70","","","","- C12 H6 O6 Sc -","- C12 H6 O6 Sc -","- C192 H96 O96 Sc16 -","16","0.5","","McKellar, Scott C.; Sotelo, Jorge; Greenaway, Alex; Mowat, John P. S.; Kvam, Odin; Morrison, Carole A.; Wright, Paul A.; Moggach, Stephen A.","Pore Shape Modification of a Microporous Metal‒Organic Framework Using High Pressure: Accessing a New Phase with Oversized Guest Molecules","Chemistry of Materials","2016","28","2","466","","10.1021/acs.chemmater.5b02891","","x-ray","0.71073","MoKα","","0.1568","0.124","","0.3313","0.3159","0.3313","","","","","","1.0478","","","","has coordinates","231424","2020-10-21","18:00:00",""
"4003192","8.777","0.006","20.772","0.014","34.38","0.02","90","","90","","90","","6268","7","293","","293","","","","","","","","","4","F d d d :2","-F 2uv 2vw","70","","","","- C12 H6 O6 Sc -","- C12 H6 O6 Sc -","- C192 H96 O96 Sc16 -","16","0.5","","McKellar, Scott C.; Sotelo, Jorge; Greenaway, Alex; Mowat, John P. S.; Kvam, Odin; Morrison, Carole A.; Wright, Paul A.; Moggach, Stephen A.","Pore Shape Modification of a Microporous Metal‒Organic Framework Using High Pressure: Accessing a New Phase with Oversized Guest Molecules","Chemistry of Materials","2016","28","2","466","","10.1021/acs.chemmater.5b02891","","x-ray","0.71073","MoKα","","0.1027","0.0545","","0.1315","0.1115","0.1315","","","","","","0.9012","","","","has coordinates","231424","2020-10-21","18:00:00",""
"4003193","8.681","0.004","20.723","0.007","34.341","0.013","90","","90","","90","","6178","4","293","","293","","","","200000","","","","","4","F d d d :2","-F 2uv 2vw","70","","","","- C24 H12 O12 Sc2 -","- C24 H12 O12 Sc2 -","- C192 H96 O96 Sc16 -","8","0.25","","McKellar, Scott C.; Sotelo, Jorge; Greenaway, Alex; Mowat, John P. S.; Kvam, Odin; Morrison, Carole A.; Wright, Paul A.; Moggach, Stephen A.","Pore Shape Modification of a Microporous Metal‒Organic Framework Using High Pressure: Accessing a New Phase with Oversized Guest Molecules","Chemistry of Materials","2016","28","2","466","","10.1021/acs.chemmater.5b02891","","x-ray","0.71073","MoKα","","0.1792","0.1578","","0.336","0.3206","0.336","","","","","","1.4507","","","","has coordinates","231424","2020-10-21","18:00:00",""
"4003194","8.7561","0.0013","20.752","0.002","34.297","0.005","90","","90","","90","","6232","1.4","293","","293","","","","200000","","","","","4","F d d d :2","-F 2uv 2vw","70","","","","- C25.8 H12 O12 Sc2 -","- C25.8 H12 O12 Sc2 -","- C206.4 H96 O96 Sc16 -","8","0.25","","McKellar, Scott C.; Sotelo, Jorge; Greenaway, Alex; Mowat, John P. S.; Kvam, Odin; Morrison, Carole A.; Wright, Paul A.; Moggach, Stephen A.","Pore Shape Modification of a Microporous Metal‒Organic Framework Using High Pressure: Accessing a New Phase with Oversized Guest Molecules","Chemistry of Materials","2016","28","2","466","","10.1021/acs.chemmater.5b02891","","x-ray","0.71073","MoKα","","0.0893","0.0593","","0.1465","0.1258","0.1465","","","","","","0.9276","","","","has coordinates","231424","2020-10-21","18:00:00",""
"4003195","8.7373","0.0015","20.691","0.002","34.124","0.006","90","","90","","90","","6169.1","1.6","293","","293","","","","400000","","","","","4","F d d d :2","-F 2uv 2vw","70","","","","- C30 H12 O12 Sc2 -","- C30 H12 O12 Sc2 -","- C240 H96 O96 Sc16 -","8","0.25","","McKellar, Scott C.; Sotelo, Jorge; Greenaway, Alex; Mowat, John P. S.; Kvam, Odin; Morrison, Carole A.; Wright, Paul A.; Moggach, Stephen A.","Pore Shape Modification of a Microporous Metal‒Organic Framework Using High Pressure: Accessing a New Phase with Oversized Guest Molecules","Chemistry of Materials","2016","28","2","466","","10.1021/acs.chemmater.5b02891","","x-ray","0.71073","MoKα","","0.0942","0.0744","","0.1741","0.1658","0.1741","","","","","","1.0247","","","","has coordinates","231424","2020-10-21","18:00:00",""
"4003196","8.7185","0.0007","20.7142","0.0008","34.265","0.0017","90","","90","","90","","6188.1","0.6","293","","293","","","","400000","","","","","4","F d d d :2","-F 2uv 2vw","70","","","","- C29 H12 O12 Sc2 -","- C29 H12 O12 Sc2 -","- C232 H96 O96 Sc16 -","8","0.25","","McKellar, Scott C.; Sotelo, Jorge; Greenaway, Alex; Mowat, John P. S.; Kvam, Odin; Morrison, Carole A.; Wright, Paul A.; Moggach, Stephen A.","Pore Shape Modification of a Microporous Metal‒Organic Framework Using High Pressure: Accessing a New Phase with Oversized Guest Molecules","Chemistry of Materials","2016","28","2","466","","10.1021/acs.chemmater.5b02891","","x-ray","0.71073","MoKα","","0.0933","0.0605","","0.1822","0.1472","0.1822","","","","","","0.8477","","","","has coordinates","231424","2020-10-21","18:00:00",""
"4003197","8.7578","0.0009","20.7293","0.0011","34.292","0.003","90","","90","","90","","6225.5","0.9","293","","293","","","","200000","","","","","4","F d d d :2","-F 2uv 2vw","70","","","","- C24 H12 O12 Sc2 -","- C24 H12 O12 Sc2 -","- C192 H96 O96 Sc16 -","8","0.25","","McKellar, Scott C.; Sotelo, Jorge; Greenaway, Alex; Mowat, John P. S.; Kvam, Odin; Morrison, Carole A.; Wright, Paul A.; Moggach, Stephen A.","Pore Shape Modification of a Microporous Metal‒Organic Framework Using High Pressure: Accessing a New Phase with Oversized Guest Molecules","Chemistry of Materials","2016","28","2","466","","10.1021/acs.chemmater.5b02891","","x-ray","0.71073","MoKα","","0.0742","0.0523","","0.1222","0.1141","0.1222","","","","","","1.0082","","","","has coordinates","231424","2020-10-21","18:00:00",""
"4003198","8.7745","0.0015","20.668","0.002","34.203","0.005","90","","90","","90","","6202.8","1.5","293","","293","","","","500000","","","","","4","F d d d :2","-F 2uv 2vw","70","","","","- C30 H12 O12 Sc2 -","- C30 H12 O12 Sc2 -","- C240 H96 O96 Sc16 -","8","0.25","","McKellar, Scott C.; Sotelo, Jorge; Greenaway, Alex; Mowat, John P. S.; Kvam, Odin; Morrison, Carole A.; Wright, Paul A.; Moggach, Stephen A.","Pore Shape Modification of a Microporous Metal‒Organic Framework Using High Pressure: Accessing a New Phase with Oversized Guest Molecules","Chemistry of Materials","2016","28","2","466","","10.1021/acs.chemmater.5b02891","","x-ray","0.71073","MoKα","","0.1108","0.079","","0.1831","0.1599","0.1831","","","","","","1.0668","","","","has coordinates","231424","2020-10-21","18:00:00",""
"4003199","8.6945","0.0019","20.808","0.002","34.079","0.004","90","","90","","90","","6165.4","1.6","293","","293","","","","300000","","","","","4","F d d d :2","-F 2uv 2vw","70","","","","- C30 H12 O12 Sc2 -","- C30 H12 O12 Sc2 -","- C240 H96 O96 Sc16 -","8","0.25","","McKellar, Scott C.; Sotelo, Jorge; Greenaway, Alex; Mowat, John P. S.; Kvam, Odin; Morrison, Carole A.; Wright, Paul A.; Moggach, Stephen A.","Pore Shape Modification of a Microporous Metal‒Organic Framework Using High Pressure: Accessing a New Phase with Oversized Guest Molecules","Chemistry of Materials","2016","28","2","466","","10.1021/acs.chemmater.5b02891","","x-ray","0.71073","MoKα","","0.0992","0.0688","","0.1844","0.1628","0.1844","","","","","","0.9973","","","","has coordinates","231424","2020-10-21","18:00:00",""
"4003200","8.6945","0.0019","20.808","0.002","34.079","0.004","90","","90","","90","","6165.4","1.6","293","","293","","","","700000","","","","","4","F d d d :2","-F 2uv 2vw","70","","","","- C30 H12 O12 Sc2 -","- C30 H12 O12 Sc2 -","- C240 H96 O96 Sc16 -","8","0.25","","McKellar, Scott C.; Sotelo, Jorge; Greenaway, Alex; Mowat, John P. S.; Kvam, Odin; Morrison, Carole A.; Wright, Paul A.; Moggach, Stephen A.","Pore Shape Modification of a Microporous Metal‒Organic Framework Using High Pressure: Accessing a New Phase with Oversized Guest Molecules","Chemistry of Materials","2016","28","2","466","","10.1021/acs.chemmater.5b02891","","x-ray","0.71073","MoKα","","0.092","0.0643","","0.1377","0.1222","0.1377","","","","","","0.954","","","","has coordinates","231424","2020-10-21","18:00:00",""
"4003201","8.779","0.003","20.742","0.003","34.287","0.007","90","","90","","90","","6243","3","293","","293","","","","200000","","","","","4","F d d d :2","-F 2uv 2vw","70","","","","- C28.5 H12 O12 Sc2 -","- C28.5 H12 O12 Sc2 -","- C228 H96 O96 Sc16 -","8","0.25","","McKellar, Scott C.; Sotelo, Jorge; Greenaway, Alex; Mowat, John P. S.; Kvam, Odin; Morrison, Carole A.; Wright, Paul A.; Moggach, Stephen A.","Pore Shape Modification of a Microporous Metal‒Organic Framework Using High Pressure: Accessing a New Phase with Oversized Guest Molecules","Chemistry of Materials","2016","28","2","466","","10.1021/acs.chemmater.5b02891","","x-ray","0.71073","MoKα","","0.0973","0.0579","","0.1602","0.1284","0.1602","","","","","","0.8839","","","","has coordinates","231424","2020-10-21","18:00:00",""
"4003202","8.779","0.003","20.742","0.003","34.287","0.007","90","","90","","90","","6243","3","293","","293","","","","500000","","","","","4","F d d d :2","-F 2uv 2vw","70","","","","- C30 H12 O12 Sc2 -","- C30 H12 O12 Sc2 -","- C240 H96 O96 Sc16 -","8","0.25","","McKellar, Scott C.; Sotelo, Jorge; Greenaway, Alex; Mowat, John P. S.; Kvam, Odin; Morrison, Carole A.; Wright, Paul A.; Moggach, Stephen A.","Pore Shape Modification of a Microporous Metal‒Organic Framework Using High Pressure: Accessing a New Phase with Oversized Guest Molecules","Chemistry of Materials","2016","28","2","466","","10.1021/acs.chemmater.5b02891","","x-ray","0.71073","MoKα","","0.1108","0.0774","","0.1447","0.1292","0.1447","","","","","","1.0493","","","","has coordinates","231424","2020-10-21","18:00:00",""
"4003203","8.779","0.003","20.742","0.003","34.287","0.007","90","","90","","90","","6243","3","293","","293","","","","800000","","","","","4","F d d d :2","-F 2uv 2vw","70","","","","- C30 H12 O12 Sc2 -","- C30 H12 O12 Sc2 -","- C240 H96 O96 Sc16 -","8","0.25","","McKellar, Scott C.; Sotelo, Jorge; Greenaway, Alex; Mowat, John P. S.; Kvam, Odin; Morrison, Carole A.; Wright, Paul A.; Moggach, Stephen A.","Pore Shape Modification of a Microporous Metal‒Organic Framework Using High Pressure: Accessing a New Phase with Oversized Guest Molecules","Chemistry of Materials","2016","28","2","466","","10.1021/acs.chemmater.5b02891","","x-ray","0.71073","MoKα","","0.0999","0.0722","","0.1467","0.127","0.1467","","","","","","1.1091","","","","has coordinates","231424","2020-10-21","18:00:00",""
"4003216","30.4638","0.0003","30.4638","0.0003","44.2772","0.0007","90","","90","","90","","41091.2","0.9","100","2","100","2","","","","","","","","5","I 4/m","-I 4","87","","","","- C33 H24 Cu3 N6 O18 -","- C33 H18 Cu3 N6 O18 -","- C528 H288 Cu48 N96 O288 -","16","1","","Ju, Zhanfeng; Yan, Shichen; Yuan, Daqiang","De Novo Tailoring Pore Morphologies and Sizes for Different Substrates in a Urea-Containing MOFs Catalytic Platform","Chemistry of Materials","2016","28","7","2000","","10.1021/acs.chemmater.5b03999","","","1.54184","CuKα","","0.1083","0.0764","","","0.2187","0.258","","","","","","0.974","","","","has coordinates","231437","2020-10-21","18:00:00",""
"4003217","30.5919","0.0007","30.5919","0.0007","44.8181","0.0019","90","","90","","90","","41944","2","100","2","100","2","","","","","","","","5","I 4/m","-I 4","87","","","","- C33 H24 N6 O18 Zn3 -","- C33 H18 N6 O18 Zn3 -","- C528 H288 N96 O288 Zn48 -","16","1","","Ju, Zhanfeng; Yan, Shichen; Yuan, Daqiang","De Novo Tailoring Pore Morphologies and Sizes for Different Substrates in a Urea-Containing MOFs Catalytic Platform","Chemistry of Materials","2016","28","7","2000","","10.1021/acs.chemmater.5b03999","","","1.54184","CuKα","","0.139","0.0931","","","0.2665","0.3265","","","","","","1.034","","","","has coordinates","231437","2020-10-21","18:00:00",""
"4003218","33.9803","0.0005","33.9803","0.0005","33.9803","0.0005","90","","90","","90","","39235.7","1","293","2","293","2","","","","","","","","5","P a -3","-P 2ac 2ab 3","205","","","","- C60 H42 N12 O19 Zn4 -","- C60 H42 N12 O19 Zn4 -","- C240 H168 N48 O76 Zn16 -","4","0.166667","","Ju, Zhanfeng; Yan, Shichen; Yuan, Daqiang","De Novo Tailoring Pore Morphologies and Sizes for Different Substrates in a Urea-Containing MOFs Catalytic Platform","Chemistry of Materials","2016","28","7","2000","","10.1021/acs.chemmater.5b03999","","","1.54184","CuKα","","0.2716","0.1684","","","0.3433","0.3897","","","","","","1.08","","","","has coordinates","231437","2020-10-21","18:00:00",""
"4003219","24.4186","0.0005","24.4186","0.0005","55.4757","0.0011","90","","90","","120","","28646.7","1","293","2","293","2","","","","","","","","5","P 31 2 1","P 31 2""","152","","","","- C60 H48 In3 N12 O22 -","- C60 H42 In3 N12 O22 -","- C180 H126 In9 N36 O66 -","3","0.5","","Ju, Zhanfeng; Yan, Shichen; Yuan, Daqiang","De Novo Tailoring Pore Morphologies and Sizes for Different Substrates in a Urea-Containing MOFs Catalytic Platform","Chemistry of Materials","2016","28","7","2000","","10.1021/acs.chemmater.5b03999","","","1.54184","CuKα","","0.1078","0.0627","","","0.1506","0.1905","","","","","","0.899","","","","has coordinates","231437","2020-10-21","18:00:00",""
"4003220","14.691","0.003","14.818","0.003","17.713","0.004","98.13","0.03","93.1","0.03","115.29","0.03","3423","1.6","173","2","173","2","","","","","","","","5","P -1","-P 1","2","MnAQDC","'Mn7(2,7-AQDC)6(2,6-AQDC)(DMA)6'","","- C136 H96 Mn7 N6 O48 -","- C136 H96 Mn7 N6 O48 -","- C136 H96 Mn7 N6 O48 -","1","0.5","","Zhang, Zhongyue; Yoshikawa, Hirofumi; Awaga, Kunio","Discovery of a “Bipolar Charging” Mechanism in the Solid-State Electrochemical Process of a Flexible Metal‒Organic Framework","Chemistry of Materials","2016","28","5","1298","","10.1021/acs.chemmater.5b04075","","","0.71073","MoKα","","0.4365","0.2141","","","0.4587","0.5737","","","","","","1.068","","","","has coordinates","231438","2020-10-21","18:00:00",""
"4003221","14.615","0.003","16.585","0.003","20.559","0.004","99.33","0.03","107.46","0.03","100.74","0.03","4542","2","123","2","123","2","","","","","","","","5","P -1","-P 1","2","MnAQDC","'Mn7(2,7-AQDC)7(2,6-AQDC)(DMA)6'","","- C130 H78 Mn7 N4 O48 -","- C130 H78 Mn7 N4 O48 -","- C130 H78 Mn7 N4 O48 -","1","0.5","","Zhang, Zhongyue; Yoshikawa, Hirofumi; Awaga, Kunio","Discovery of a “Bipolar Charging” Mechanism in the Solid-State Electrochemical Process of a Flexible Metal‒Organic Framework","Chemistry of Materials","2016","28","5","1298","","10.1021/acs.chemmater.5b04075","","","0.71073","MoKα","","0.1727","0.1006","","","0.2658","0.321","","","","","","0.941","","","","has coordinates","231439","2020-10-21","18:00:00",""
"4003222","21.847","0.005","21.847","","6.8729","0.0021","90","","90","","120","","2840.9","1.1","","","","","","","","","","","","5","P 32 2 1","P 32 2""","154","","","","- C7 H D11.14 Fe O3 -","- C7 H D11.13 Fe O3 -","- C42 H6 D66.78 Fe6 O18 -","6","1","","Gygi, David; Bloch, Eric D.; Mason, Jarad A.; Hudson, Matthew R.; Gonzalez, Miguel I.; Siegelman, Rebecca L.; Darwish, Tamim A.; Queen, Wendy L.; Brown, Craig M.; Long, Jeffrey R.","Hydrogen Storage in the Expanded Pore Metal‒Organic Frameworks M2(dobpdc) (M = Mg, Mn, Fe, Co, Ni, Zn)","Chemistry of Materials","2016","28","4","1128","","10.1021/acs.chemmater.5b04538","powder diffraction","neutron","2.078","","","","","","","","","0.09831","","1.55","","","","","","","has coordinates","231440","2020-10-21","18:00:00",""
"4003223","21.831","0.004","21.831","","6.8543","0.0022","90","","90","","120","","2829.1","1","","","","","","","","","","","","5","P 32 2 1","P 32 2""","154","","","","- C7 H D3.74 Fe O3 -","- C7 H D3.74 Fe O3 -","- C42 H6 D22.44 Fe6 O18 -","6","1","","Gygi, David; Bloch, Eric D.; Mason, Jarad A.; Hudson, Matthew R.; Gonzalez, Miguel I.; Siegelman, Rebecca L.; Darwish, Tamim A.; Queen, Wendy L.; Brown, Craig M.; Long, Jeffrey R.","Hydrogen Storage in the Expanded Pore Metal‒Organic Frameworks M2(dobpdc) (M = Mg, Mn, Fe, Co, Ni, Zn)","Chemistry of Materials","2016","28","4","1128","","10.1021/acs.chemmater.5b04538","powder diffraction","neutron","2.078","","","","","","","","","0.06852","","1.33","","","","","","","has coordinates","231441","2020-10-21","18:00:00",""
"4003224","21.813","0.005","21.813","","6.8688","0.0021","90","","90","","120","","2830.4","1.1","","","","","","","","","","","","5","P 32 2 1","P 32 2""","154","","","","- C7 H D7.64 Fe O3 -","- C7 H D7.64 Fe O3 -","- C42 H6 D45.84 Fe6 O18 -","6","1","","Gygi, David; Bloch, Eric D.; Mason, Jarad A.; Hudson, Matthew R.; Gonzalez, Miguel I.; Siegelman, Rebecca L.; Darwish, Tamim A.; Queen, Wendy L.; Brown, Craig M.; Long, Jeffrey R.","Hydrogen Storage in the Expanded Pore Metal‒Organic Frameworks M2(dobpdc) (M = Mg, Mn, Fe, Co, Ni, Zn)","Chemistry of Materials","2016","28","4","1128","","10.1021/acs.chemmater.5b04538","powder diffraction","neutron","2.078","","","","","","","","","0.05963","","1.62","","","","","","","has coordinates","231442","2020-10-21","18:00:00",""
"4003225","21.7036","0.0005","21.7036","0.0005","6.844","0.0002","90","","90","","120","","2791.93","0.12","100","","100","2","","","","","","","","5","P 32 2 1","P 32 2""","154","Co2(dobpdc)(DEF)2","","","- C24 H28 Co2 N2 O8 -","- C24 H28 Co2 N2 O8 -","- C72 H84 Co6 N6 O24 -","3","0.5","","Gygi, David; Bloch, Eric D.; Mason, Jarad A.; Hudson, Matthew R.; Gonzalez, Miguel I.; Siegelman, Rebecca L.; Darwish, Tamim A.; Queen, Wendy L.; Brown, Craig M.; Long, Jeffrey R.","Hydrogen Storage in the Expanded Pore Metal‒Organic Frameworks M2(dobpdc) (M = Mg, Mn, Fe, Co, Ni, Zn)","Chemistry of Materials","2016","28","4","1128","","10.1021/acs.chemmater.5b04538","","","0.8856","synchrotron","","0.0604","0.0537","","","0.1515","0.1558","","","","","","1.126","","","","has coordinates,has disorder","231443","2020-10-21","18:00:00",""
"4003226","21.848","0.004","21.848","","6.8136","0.0025","90","","90","","120","","2816.6","1.2","","","","","","","","","","","","5","P 32 2 1","P 32 2""","154","","","","- C7 H0.98 D2.02 Fe O3 -","- C7 H0.976 D2.024 Fe O3 -","- C42 H5.856 D12.144 Fe6 O18 -","6","1","","Gygi, David; Bloch, Eric D.; Mason, Jarad A.; Hudson, Matthew R.; Gonzalez, Miguel I.; Siegelman, Rebecca L.; Darwish, Tamim A.; Queen, Wendy L.; Brown, Craig M.; Long, Jeffrey R.","Hydrogen Storage in the Expanded Pore Metal‒Organic Frameworks M2(dobpdc) (M = Mg, Mn, Fe, Co, Ni, Zn)","Chemistry of Materials","2016","28","4","1128","","10.1021/acs.chemmater.5b04538","powder diffraction","neutron","2.078","","","","","","","","","0.06722","","1.3","","","","","","","has coordinates","231444","2020-10-21","18:00:00",""
"4003227","21.823","0.004","21.823","","6.8695","0.0022","90","","90","","120","","2833.2","1","","","","","","","","","","","","5","P 32 2 1","P 32 2""","154","","","","- C7 H D5.2 Fe O3 -","- C7 H D5.2 Fe O3 -","- C42 H6 D31.2 Fe6 O18 -","6","1","","Gygi, David; Bloch, Eric D.; Mason, Jarad A.; Hudson, Matthew R.; Gonzalez, Miguel I.; Siegelman, Rebecca L.; Darwish, Tamim A.; Queen, Wendy L.; Brown, Craig M.; Long, Jeffrey R.","Hydrogen Storage in the Expanded Pore Metal‒Organic Frameworks M2(dobpdc) (M = Mg, Mn, Fe, Co, Ni, Zn)","Chemistry of Materials","2016","28","4","1128","","10.1021/acs.chemmater.5b04538","powder diffraction","neutron","2.078","","","","","","","","","0.05471","","1.33","","","","","","","has coordinates","231445","2020-10-21","18:00:00",""
"4003228","4.7647","0.0004","7.7093","0.0006","48.853","0.004","90","","91.616","0.006","90","","1793.8","0.3","100","","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H22 N2 O4 -","- C22 H22 N2 O4 -","- C88 H88 N8 O16 -","4","1","","Fu, Chaoying; Lin, Hua-ping; Macleod, Jennifer M.; Krayev, Andrey; Rosei, Federico; Perepichka, Dmitrii F.","Unravelling the Self-Assembly of Hydrogen Bonded NDI Semiconductors in 2D and 3D","Chemistry of Materials","2016","28","3","951","","10.1021/acs.chemmater.5b04706","","x-ray","1.54178","CuKα","","0.1986","0.1413","","","0.3651","0.3983","","","","","","1.23","","","","has coordinates","231446","2020-10-21","18:00:00",""
"4003229","10.122","0.002","16.708","0.003","14.856","0.003","90","","108.14","0.03","90","","2387.6","0.9","100","","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","WO2(tBuNC(Me)CtBu)2","","- C20 H42 N4 O2 W -","- C20 H42 N4 O2 W -","- C80 H168 N16 O8 W4 -","4","1","","Mouat, Aidan R.; Mane, Anil U.; Elam, Jeffrey W.; Delferro, Massimiliano; Marks, Tobin J.; Stair, Peter C.","Volatile Hexavalent Oxo-amidinate Complexes: Molybdenum and Tungsten Precursors for Atomic Layer Deposition","Chemistry of Materials","2016","28","6","1907","","10.1021/acs.chemmater.6b00248","","","0.71073","MoKα","","0.0359","0.0338","","","0.1079","0.1105","","","","","","1.071","","","","has coordinates,has disorder","231447","2020-10-21","18:00:00",""
"4003230","10.129","0.002","16.708","0.003","14.87","0.003","90","","107.8","0.03","90","","2396.1","0.9","100","","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","(tBuNC(Me)NtBu)2MoO2","","- C20 H42 Mo N4 O2 -","- C20 H42 Mo N4 O2 -","- C80 H168 Mo4 N16 O8 -","4","1","","Mouat, Aidan R.; Mane, Anil U.; Elam, Jeffrey W.; Delferro, Massimiliano; Marks, Tobin J.; Stair, Peter C.","Volatile Hexavalent Oxo-amidinate Complexes: Molybdenum and Tungsten Precursors for Atomic Layer Deposition","Chemistry of Materials","2016","28","6","1907","","10.1021/acs.chemmater.6b00248","","","0.71073","MoKα","","0.0406","0.0397","","","0.1199","0.1213","","","","","","1.107","","","","has coordinates,has disorder","231448","2020-10-21","18:00:00",""
"4003231","10.76","0.002","24.074","0.005","12.908","0.003","90","","97.8","0.03","90","","3312.7","1.2","100","","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","W2O2(u2-O)2(tBuAMD)2","","- C25 H53 N4 O4 W2 -","- C25 H53 N4 O4 W2 -","- C100 H212 N16 O16 W8 -","4","1","","Mouat, Aidan R.; Mane, Anil U.; Elam, Jeffrey W.; Delferro, Massimiliano; Marks, Tobin J.; Stair, Peter C.","Volatile Hexavalent Oxo-amidinate Complexes: Molybdenum and Tungsten Precursors for Atomic Layer Deposition","Chemistry of Materials","2016","28","6","1907","","10.1021/acs.chemmater.6b00248","","","0.71073","MoKα","","0.0987","0.078","","","0.1952","0.2111","","","","","","1.071","","","","has coordinates","231449","2020-10-21","18:00:00",""
"4003232","8.0892","0.0008","15.9002","0.0017","3.5273","0.0004","90","","101.662","0.01","90","","444.32","0.08","293","2","293","2","","","","","","","","5","C 1 m 1","C -2y","8","","","","- C3 Ca2 F Na3 O9 -","- C3 Ca2 F Na3 O9 -","- C6 Ca4 F2 Na6 O18 -","2","0.5","","Luo, Min; Song, Yunxia; Lin, Chensheng; Ye, Ning; Cheng, Wendan; Long, XiFa","Molecular Engineering as an Approach To Design a New Beryllium-Free Fluoride Carbonate as a Deep-Ultraviolet Nonlinear Optical Material","Chemistry of Materials","2016","28","7","2301","","10.1021/acs.chemmater.6b00360","","","0.71073","MoKα","","0.0224","0.0213","","","0.0423","0.0427","","","","","","1.076","","","","has coordinates","231450","2020-10-21","18:00:00",""
"4003233","12.9","0.03","7.972","0.01","20.23","0.02","90","","100.25","0.07","90","","2047","6","299","2","299","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C6 I5 Pb2 S4 -","- C6 I5 Pb2 S4 -","- C24 I20 Pb8 S16 -","4","1","","Evans, Hayden A.; Lehner, Anna J.; Labram, John G.; Fabini, Douglas H.; Barreda, Omar; Smock, Sara R.; Wu, Guang; Chabinyc, Michael L.; Seshadri, Ram; Wudl, Fred","(TTF)Pb2I5: A Radical Cation-Stabilized Hybrid Lead Iodide with Synergistic Optoelectronic Signatures","Chemistry of Materials","2016","28","11","3607","","10.1021/acs.chemmater.6b00633","","","0.71073","MoKα","","0.203","0.0643","","","0.0872","0.1195","","","","","","0.945","","","","has coordinates","231451","2020-10-21","18:00:00",""
"4003234","8.947","0.0004","39.347","0.002","8.8589","0.0006","90","","90","","90","","3118.7","0.3","293","2","","","","","","","","","","5","C c 2 m","C -2c -2c","40","Butylammonium Methylammonium Lead Iodide","","","- C9 H30 I7 N3 Pb2 -","- C9 H30 I7 N3 Pb2 -","- C36 H120 I28 N12 Pb8 -","4","0.5","","Stoumpos, Constantinos C.; Cao, Duyen H.; Clark, Daniel J.; Young, Joshua; Rondinelli, James M.; Jang, Joon I.; Hupp, Joseph T.; Kanatzidis, Mercouri G.","Ruddlesden‒Popper Hybrid Lead Iodide Perovskite 2D Homologous Semiconductors","Chemistry of Materials","2016","28","8","2852","","10.1021/acs.chemmater.6b00847","","","","","","0.0632","0.0529","","","0.1394","0.1478","","","","","","1.145","","","","has coordinates","231452","2020-10-21","18:00:00",""
"4003235","8.9275","0.0006","51.959","0.004","8.8777","0.0006","90","","90","","90","","4118","0.5","293","2","","","","","","","","","","5","C 2 e b","C -2ac 2","41","Butylammonium Methylammonium Lead Iodide","","","- C10 H36 I10 N4 Pb3 -","- C10 H36 I10 N4 Pb3 -","- C40 H144 I40 N16 Pb12 -","4","0.5","","Stoumpos, Constantinos C.; Cao, Duyen H.; Clark, Daniel J.; Young, Joshua; Rondinelli, James M.; Jang, Joon I.; Hupp, Joseph T.; Kanatzidis, Mercouri G.","Ruddlesden‒Popper Hybrid Lead Iodide Perovskite 2D Homologous Semiconductors","Chemistry of Materials","2016","28","8","2852","","10.1021/acs.chemmater.6b00847","","","","","","0.1234","0.0781","","","0.1748","0.1997","","","","","","1.103","","","","has coordinates","231452","2020-10-21","18:00:00",""
"4003236","8.9274","0.0004","64.383","0.003","8.8816","0.0004","90","","90","","90","","5104.9","0.4","293","2","293","2","","","","","","","","5","C c 2 m","C -2c -2c","40","Bytulammonium Methylammonium Lead iodide","","","- C11 H42 I13 N5 Pb4 -","- C11 H42 I13 N5 Pb4 -","- C44 H168 I52 N20 Pb16 -","4","0.5","","Stoumpos, Constantinos C.; Cao, Duyen H.; Clark, Daniel J.; Young, Joshua; Rondinelli, James M.; Jang, Joon I.; Hupp, Joseph T.; Kanatzidis, Mercouri G.","Ruddlesden‒Popper Hybrid Lead Iodide Perovskite 2D Homologous Semiconductors","Chemistry of Materials","2016","28","8","2852","","10.1021/acs.chemmater.6b00847","","","0.71073","MoKα","","0.0864","0.0431","","","0.1123","0.1387","","","","","","0.986","","","","has coordinates","231452","2020-10-21","18:00:00",""
"4003237","12.2088","0.0008","19.5943","0.0012","12.295","0.0008","90","","99.209","0.003","90","","2903.3","0.3","100","2","100","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C64 H60 Cl4 F2 N4 O8 -","- C64 H60 Cl4 F2 N4 O8 -","- C128 H120 Cl8 F4 N8 O16 -","2","0.5","","Chen, Hu; Bryant, Daniel; Troughton, Joel; Kirkus, Mindaugas; Neophytou, Marios; Miao, Xiaohe; Durrant, James R.; McCulloch, Iain","One-Step Facile Synthesis of a Simple Hole Transport Material for Efficient Perovskite Solar Cells","Chemistry of Materials","2016","28","8","2515","","10.1021/acs.chemmater.6b00858","","","1.54178","CuKα","","0.0558","0.0492","","","0.1316","0.1367","","","","","","1.044","","","","has coordinates","231453","2020-10-21","18:00:00",""
"4003238","20.1106","0.0017","7.3879","0.0006","24.51","0.002","90","","90","","90","","3641.6","0.5","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","Urorosein Sulfate Acetate","3H-indol-1-ium-3-ylmethylene-3H-indol-1-ium","","- C19 H18 N2 O6 S -","- C19 H18 N2 O6 S -","- C152 H144 N16 O48 S8 -","8","1","","Hall, Victoria M.; Cox, Kristin A.; Sours, Ryan E.; Swift, Jennifer A.","Urochrome Pigment in Uric Acid Crystals","Chemistry of Materials","2016","28","11","3862","","10.1021/acs.chemmater.6b00977","","","0.41328","synchrotron","","0.0965","0.0479","","","0.092","0.1088","","","","","","1.035","","","","has coordinates","231454","2020-10-21","18:00:00",""
"4003239","17.1512","0.0006","21.8564","0.0007","4.5358","0.0002","90","","90","","90","","1700.31","0.11","100","","100","","","","","","","","","6","P n n m","-P 2 2n","58","","","","- C8 H26 I8 N4 O2 Pb3 -","- C8 H26 I8 N4 O2 Pb3 -","- C16 H52 I16 N8 O4 Pb6 -","2","0.25","","Umeyama, Daiki; Lin, Yu; Karunadasa, Hemamala I.","Red-to-Black Piezochromism in a Compressible Pb‒I‒SCN Layered Perovskite","Chemistry of Materials","2016","28","10","3241","","10.1021/acs.chemmater.6b01147","","","0.71073","MoKα","","0.0255","0.0221","","","0.045","0.0459","","","","","","1.11","","","","has coordinates,has disorder","231455","2020-10-21","18:00:00",""
"4003240","8.533","0.003","8.835","0.003","10.245","0.003","76.559","0.01","66.59","0.009","85.826","0.013","689.2","0.4","223","2","223","2","","","","","","","","6","P -1","-P 1","2","","","","- C10 H10 N2 O8 S2 Zn -","- C10 H10 N2 O8 S2 Zn -","- C20 H20 N4 O16 S4 Zn2 -","2","1","","Ogiwara, Naoki; Inukai, Munehiro; Itakura, Tomoya; Horike, Satoshi; Kitagawa, Susumu","Fast Conduction of Organic Cations in Metal Sulfate Frameworks","Chemistry of Materials","2016","28","11","3968","","10.1021/acs.chemmater.6b01284","","","0.71075","MoKα","","0.0325","0.0311","","","0.1068","0.1093","","","","","","0.946","","","","has coordinates","231456","2020-10-21","18:00:00",""
"4003241","14.352","0.009","14.352","0.009","9.142","0.006","90","","90","","90","","1883","2","223","2","223","2","","","","","","","","6","P 42/n :2","-P 4bc","86","","","","- C12 H22 N4 O8 S2 Zn -","- C12 H22 N4 O8 S2 Zn -","- C48 H88 N16 O32 S8 Zn4 -","4","0.5","","Ogiwara, Naoki; Inukai, Munehiro; Itakura, Tomoya; Horike, Satoshi; Kitagawa, Susumu","Fast Conduction of Organic Cations in Metal Sulfate Frameworks","Chemistry of Materials","2016","28","11","3968","","10.1021/acs.chemmater.6b01284","","","0.71075","MoKα","","0.0904","0.0646","","","0.1475","0.1595","","","","","","1.095","","","","has coordinates","231457","2020-10-21","18:00:00",""
"4003242","14.489","0.008","14.489","0.008","9.173","0.005","90","","90","","90","","1925.7","1.8","433","2","433","2","","","","","","","","6","P 42/n :2","-P 4bc","86","","","","- C12 H22 N4 O8 S2 Zn -","- C12 H22 N4 O8 S2 Zn -","- C48 H88 N16 O32 S8 Zn4 -","4","0.5","","Ogiwara, Naoki; Inukai, Munehiro; Itakura, Tomoya; Horike, Satoshi; Kitagawa, Susumu","Fast Conduction of Organic Cations in Metal Sulfate Frameworks","Chemistry of Materials","2016","28","11","3968","","10.1021/acs.chemmater.6b01284","","","0.71075","MoKα","","0.0715","0.0472","","","0.1084","0.1164","","","","","","1.145","","","","has coordinates","231458","2020-10-21","18:00:00",""
"4003243","17.309","0.008","9.215","0.003","9.142","0.004","90","","118.615","0.018","90","","1280.1","0.9","223","2","223","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- C4 H16 N2 O8 S2 Zn -","- C4 H16 N2 O8 S2 Zn -","- C16 H64 N8 O32 S8 Zn4 -","4","0.5","","Ogiwara, Naoki; Inukai, Munehiro; Itakura, Tomoya; Horike, Satoshi; Kitagawa, Susumu","Fast Conduction of Organic Cations in Metal Sulfate Frameworks","Chemistry of Materials","2016","28","11","3968","","10.1021/acs.chemmater.6b01284","","","0.71075","MoKα","","0.0278","0.0268","","","0.0954","0.0977","","","","","","0.877","","","","has coordinates","231459","2020-10-21","18:00:00",""
"4003244","32.65","0.006","9.5","0.0019","35.77","0.007","90","","108.44","0.03","90","","10525","4","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C392 H512 F12 N32 O62 -","- C392 H512 F12 N32 O62 -","- C392 H512 F12 N32 O62 -","1","0.5","","Pellach, Michal; Mondal, Sudipta; Shimon, Linda J. W.; Adler-Abramovich, Lihi; Buzhansky, Ludmila; Gazit, Ehud","Molecular Engineering of Self-Assembling Diphenylalanine Analogues Results in the Formation of Distinctive Microstructures","Chemistry of Materials","2016","28","12","4341","","10.1021/acs.chemmater.6b01322","","","0.7","synchrotron","","0.1114","0.1082","","","0.3159","0.32","","","","","","1.714","","","","has coordinates","231460","2020-10-21","18:00:00",""
"4003245","15.6387","0.0007","11.6835","0.0005","16.3316","0.0011","90","","117.909","0.002","90","","2637","0.2","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C20 H24 N2 O3 -","- C20 H24 N2 O3 -","- C120 H144 N12 O18 -","6","3","","Pellach, Michal; Mondal, Sudipta; Shimon, Linda J. W.; Adler-Abramovich, Lihi; Buzhansky, Ludmila; Gazit, Ehud","Molecular Engineering of Self-Assembling Diphenylalanine Analogues Results in the Formation of Distinctive Microstructures","Chemistry of Materials","2016","28","12","4341","","10.1021/acs.chemmater.6b01322","","","0.71073","MoKα","","0.0654","0.0552","","","0.1204","0.1274","","","","","","1.106","","","","has coordinates","231461","2020-10-21","18:00:00",""
"4003246","14.699","0.004","14.699","0.004","19.102","0.005","90","","90","","120","","3574.3","1.7","100","2","100","2","","","","","","","","5","R 3 c :H","R 3 -2""c","161","","","","- C12 H36 Bi Cl6 N3 -","- C12 H36 Bi Cl6 N3 -","- C72 H216 Bi6 Cl36 N18 -","6","0.333333","","Zheng, Xiaoxin; Liu, Yang; Liu, Guangfeng; Liu, Jie; Ye, Xin; Han, Quanxiang; Ge, Chao; Tao, Xutang","Crystalline Mixed Halide Halobismuthates and Their Induced Second Harmonic Generation","Chemistry of Materials","2016","28","12","4421","","10.1021/acs.chemmater.6b01622","","","0.71069","MoKα","","0.0109","0.0109","","","0.0295","0.0295","","","","","","1.092","","","","has coordinates","231462","2020-10-21","18:00:00",""
"4003247","14.739","0.005","14.739","0.005","19.17","0.005","90","0.005","90","0.005","120","0.005","3607","2","100","2","100","2","","","","","","","","6","R 3 c :H","R 3 -2""c","161","","","","- C12 H36 Bi Br0.81 Cl5.19 N3 -","- C12 H36 Bi Br0.798 Cl5.202 N3 -","- C72 H216 Bi6 Br4.788 Cl31.212 N18 -","6","0.333333","","Zheng, Xiaoxin; Liu, Yang; Liu, Guangfeng; Liu, Jie; Ye, Xin; Han, Quanxiang; Ge, Chao; Tao, Xutang","Crystalline Mixed Halide Halobismuthates and Their Induced Second Harmonic Generation","Chemistry of Materials","2016","28","12","4421","","10.1021/acs.chemmater.6b01622","","","0.71073","MoKα","","0.0155","0.0154","","","0.0379","0.038","","","","","","1.067","","","","has coordinates","231462","2020-10-21","18:00:00",""
"4003248","14.796","0.005","14.796","0.005","19.268","0.005","90","0.005","90","0.005","120","0.005","3653","2","100","2","100","2","","","","","","","","6","R 3 c :H","R 3 -2""c","161","","","","- C12 H36 Bi Br1.53 Cl4.47 N3 -","- C12 H36 Bi Br1.5288 Cl4.4712 N3 -","- C72 H216 Bi6 Br9.1728 Cl26.8272 N18 -","6","0.333333","","Zheng, Xiaoxin; Liu, Yang; Liu, Guangfeng; Liu, Jie; Ye, Xin; Han, Quanxiang; Ge, Chao; Tao, Xutang","Crystalline Mixed Halide Halobismuthates and Their Induced Second Harmonic Generation","Chemistry of Materials","2016","28","12","4421","","10.1021/acs.chemmater.6b01622","","","0.71069","MoKα","","0.0107","0.0105","","","0.0276","0.0277","","","","","","0.938","","","","has coordinates","231462","2020-10-21","18:00:00",""
"4003249","14.848","0.005","14.848","0.005","19.363","0.005","90","0.005","90","0.005","120","0.005","3697","2","100","2","100","2","","","","","","","","6","R 3 c :H","R 3 -2""c","161","","","","- C12 H36 Bi Br2.31 Cl3.69 N3 -","- C12 H36 Bi Br2.313 Cl3.687 N3 -","- C72 H216 Bi6 Br13.878 Cl22.122 N18 -","6","0.333333","","Zheng, Xiaoxin; Liu, Yang; Liu, Guangfeng; Liu, Jie; Ye, Xin; Han, Quanxiang; Ge, Chao; Tao, Xutang","Crystalline Mixed Halide Halobismuthates and Their Induced Second Harmonic Generation","Chemistry of Materials","2016","28","12","4421","","10.1021/acs.chemmater.6b01622","","","0.71069","MoKα","","0.0129","0.0123","","","0.0299","0.0302","","","","","","0.912","","","","has coordinates","231462","2020-10-21","18:00:00",""
"4003250","15.076","0.005","15.076","0.005","19.631","0.005","90","0.005","90","0.005","120","0.005","3864","2","100","2","100","2","","","","","","","","6","R 3 c :H","R 3 -2""c","161","","","","- C12 H36 Bi Br5.08 Cl0.92 N3 -","- C12 H36 Bi Br5.079 Cl0.921 N3 -","- C72 H216 Bi6 Br30.474 Cl5.526 N18 -","6","0.333333","","Zheng, Xiaoxin; Liu, Yang; Liu, Guangfeng; Liu, Jie; Ye, Xin; Han, Quanxiang; Ge, Chao; Tao, Xutang","Crystalline Mixed Halide Halobismuthates and Their Induced Second Harmonic Generation","Chemistry of Materials","2016","28","12","4421","","10.1021/acs.chemmater.6b01622","","","0.71069","MoKα","","0.0213","0.0186","","","0.0332","0.0338","","","","","","0.969","","","","has coordinates","231462","2020-10-21","18:00:00",""
"4003251","15.166","0.005","15.166","0.005","19.733","0.005","90","0.005","90","0.005","120","0.005","3931","2","100","2","100","2","","","","","","","","5","R 3 c :H","R 3 -2""c","161","","","","- C12 H36 Bi Br6 N3 -","- C12 H36 Bi Br6 N3 -","- C72 H216 Bi6 Br36 N18 -","6","0.333333","","Zheng, Xiaoxin; Liu, Yang; Liu, Guangfeng; Liu, Jie; Ye, Xin; Han, Quanxiang; Ge, Chao; Tao, Xutang","Crystalline Mixed Halide Halobismuthates and Their Induced Second Harmonic Generation","Chemistry of Materials","2016","28","12","4421","","10.1021/acs.chemmater.6b01622","","","0.71069","MoKα","","0.0156","0.0146","","","0.0302","0.0304","","","","","","0.911","","","","has coordinates","231462","2020-10-21","18:00:00",""
"4003252","13.8553","0.0001","17.3992","0.0002","5.03855","0.00005","90","","90","","90","","1214.65","0.02","293","","293","","","","","","","","","3","C m c 21","C 2c -2","36","polyacetylene/TON","","","- C4 O24 Si12 -","- C4.008 O24 Si12 -","- C8.016 O48 Si24 -","2","0.25","","Santoro, Mario; Scelta, Demetrio; Dziubek, Kamil; Ceppatelli, Matteo; Gorelli, Federico A.; Bini, Roberto; Garbarino, Gaston; Thibaud, Jean-Marc; Di Renzo, Francesco; Cambon, Olivier; Hermet, Patrick; Rouquette, Jerome; van der Lee, Arie; Haines, Julien","Synthesis of 1D Polymer/Zeolite Nanocomposites under High Pressure","Chemistry of Materials","2016","28","11","4065","","10.1021/acs.chemmater.6b01639","powder diffraction","","0.415352","synchrotron","","","","","","","","","4.1515","0.845","","","","","","","has coordinates","231463","2020-10-21","18:00:00",""
"4003253","13.8867","0.0004","17.4429","0.0009","5.04748","0.00019","90","","90","","90","","1222.62","0.09","293","","293","","","","","","","","","3","C m c 21","C 2c -2","36","polycarbon monoxide/TON","","","- C1.2 O25.2 Si12 -","- C1.204 O25.204 Si12 -","- C2.408 O50.408 Si24 -","2","0.25","","Santoro, Mario; Scelta, Demetrio; Dziubek, Kamil; Ceppatelli, Matteo; Gorelli, Federico A.; Bini, Roberto; Garbarino, Gaston; Thibaud, Jean-Marc; Di Renzo, Francesco; Cambon, Olivier; Hermet, Patrick; Rouquette, Jerome; van der Lee, Arie; Haines, Julien","Synthesis of 1D Polymer/Zeolite Nanocomposites under High Pressure","Chemistry of Materials","2016","28","11","4065","","10.1021/acs.chemmater.6b01639","powder diffraction","","0.415352","synchrotron","","","","","","","","","3.0518","0.25","","","","","","","has coordinates","231464","2020-10-21","18:00:00",""
"4003254","13.61328","0.00022","13.61328","","20.249","0.0004","90","","90","","120","","3249.82","0.08","295","","295","","","","","","","","","7","P -3 1 c","-P 3 2c","163","SAPO-56 as-prepared dehydrated","","","- C6.13 H13.23 Al4 N1.4 O16 P3 Si -","- C6.134 H13.234 Al4 N1.614 O16 P3 Si -","- C36.804 H79.404 Al24 N9.684 O96 P18 Si6 -","6","0.5","","Turrina, Alessandro; Garcia, Raquel; Cox, Paul A.; Casci, John L.; Wright, Paul A.","Retrosynthetic Co-Templating Method for the Preparation of Silicoaluminophosphate Molecular Sieves","Chemistry of Materials","2016","28","14","4998","","10.1021/acs.chemmater.6b01676","powder diffraction","x-ray","1.54056","","","","","","","","","0.12215","","1.36","","","","","","","has coordinates","231465","2020-10-21","18:00:00",""
"4003255","13.7594","0.00031","13.7594","","19.761","0.001","90","","90","","120","","3239.95","0.18","295","","295","","","","","","","","","4","P -3 1 c","-P 3 2c","163","SAPO-56 calcined dehydrated(trimethylamine,diDABCO-C4)","","","- Al O4 P0.75 Si0.25 -","- Al O4 P0.75 Si0.25 -","- Al24 O96 P18 Si6 -","24","2","","Turrina, Alessandro; Garcia, Raquel; Cox, Paul A.; Casci, John L.; Wright, Paul A.","Retrosynthetic Co-Templating Method for the Preparation of Silicoaluminophosphate Molecular Sieves","Chemistry of Materials","2016","28","14","4998","","10.1021/acs.chemmater.6b01676","powder diffraction","x-ray","1.54056","","","","","","","","","0.15609","","1.55","","","","","","","has coordinates","231465","2020-10-21","18:00:00",""
"4003256","13.64075","0.00031","13.64075","","45.4999","0.0013","90","","90","","120","","7331.9","0.3","295","","295","","","","","","","","","7","R -3 :H","-R 3","148","SAPO-SFW as-prepared dehydrated","","","- C3.78 H8.43 Al3 N0.74 O12 P2.25 Si0.75 -","- C3.7814 H8.4318 Al3 N0.9368 O12 P2.25 Si0.75 -","- C68.0652 H151.772 Al54 N16.8624 O216 P40.5 Si13.5 -","18","1","","Turrina, Alessandro; Garcia, Raquel; Cox, Paul A.; Casci, John L.; Wright, Paul A.","Retrosynthetic Co-Templating Method for the Preparation of Silicoaluminophosphate Molecular Sieves","Chemistry of Materials","2016","28","14","4998","","10.1021/acs.chemmater.6b01676","powder diffraction","x-ray","1.54056","","","","","","","","","0.12935","","1.96","","","","","","","has coordinates","231465","2020-10-21","18:00:00",""
"4003257","13.7954","0.00018","13.7954","","44.6461","0.0015","90","","90","","120","","7358.4","0.3","295","","295","","","","","","","","","4","R -3 :H","-R 3","148","SAPO SFW calcined dehydrated(trimethylamine,diDABCO-C6)","","","- Al O4 P0.75 Si0.25 -","- Al O4 P0.75 Si0.25 -","- Al54 O216 P40.5 Si13.5 -","54","3","","Turrina, Alessandro; Garcia, Raquel; Cox, Paul A.; Casci, John L.; Wright, Paul A.","Retrosynthetic Co-Templating Method for the Preparation of Silicoaluminophosphate Molecular Sieves","Chemistry of Materials","2016","28","14","4998","","10.1021/acs.chemmater.6b01676","powder diffraction","x-ray","1.54056","","","","","","","","","0.04869","","1.64","","","","","","","has coordinates","231465","2020-10-21","18:00:00",""
"4003258","13.8077","0.0005","13.8077","","9.9138","0.0005","90","","90","","120","","1636.87","0.1","295","","295","","","","","","","","","4","P -3 1 c","-P 3 2c","163","SAPO GME calcined dehydrated","","","- Al12 O48 P8.4 Si3.6 -","- Al12 O48 P8.4 Si3.6 -","- Al12 O48 P8.4 Si3.6 -","1","0.0833333","","Turrina, Alessandro; Garcia, Raquel; Cox, Paul A.; Casci, John L.; Wright, Paul A.","Retrosynthetic Co-Templating Method for the Preparation of Silicoaluminophosphate Molecular Sieves","Chemistry of Materials","2016","28","14","4998","","10.1021/acs.chemmater.6b01676","powder diffraction","x-ray","1.54056","","","","","","","","","0.06231","","1.41","","","","","","","has coordinates","231465","2020-10-21","18:00:00",""
"4003259","13.78419","0.00017","13.78419","0.00017","44.5996","0.0015","90","","90","","120","","7338.8","0.3","295","","295","","","","","","","","","4","R -3 :H","-R 3","148","SAPO SFW calcined dehydrated(trimethylamine,diDABCO-C7)","","","- Al O4 P0.75 Si0.25 -","- Al O4 P0.75 Si0.25 -","- Al54 O216 P40.5 Si13.5 -","54","3","","Turrina, Alessandro; Garcia, Raquel; Cox, Paul A.; Casci, John L.; Wright, Paul A.","Retrosynthetic Co-Templating Method for the Preparation of Silicoaluminophosphate Molecular Sieves","Chemistry of Materials","2016","28","14","4998","","10.1021/acs.chemmater.6b01676","powder diffraction","x-ray","1.54056","","","","","","","","","0.03949","","1.37","","","","","","","has coordinates","231465","2020-10-21","18:00:00",""
"4003260","13.79468","0.00013","13.79468","","44.6557","0.0009","90","","90","","120","","7359.2","0.16","295","","295","","","","","","","","","4","R -3 :H","-R 3","148","SAPO SFW calcined dehydrated(trimethylamine,diDABCO-C8)","","","- Al O4 P0.75 Si0.25 -","- Al O4 P0.75 Si0.25 -","- Al54 O216 P40.5 Si13.5 -","54","3","","Turrina, Alessandro; Garcia, Raquel; Cox, Paul A.; Casci, John L.; Wright, Paul A.","Retrosynthetic Co-Templating Method for the Preparation of Silicoaluminophosphate Molecular Sieves","Chemistry of Materials","2016","28","14","4998","","10.1021/acs.chemmater.6b01676","powder diffraction","x-ray","1.54056","","","","","","","","","0.06715","","1.65","","","","","","","has coordinates","231465","2020-10-21","18:00:00",""
"4003261","9.2363","0.0013","8.0254","0.0011","13.7678","0.0019","90","","101.054","0.002","90","","1001.6","0.2","210","2","210","2","","","101.3","","","","Sigma","4","P 1 21/n 1","-P 2yn","14","210K","","","- C14 H30 N2 O10 -","- C14 H30 N2 O10 -","- C28 H60 N4 O20 -","2","0.5","","Engel, Emile R.; Smith, Vincent J.; Bezuidenhout, Charl X.; Barbour, Leonard J.","Thermoresponsive Organic Inclusion Compounds: Modification of Thermal Expansion Behavior by Simple Guest Replacement","Chemistry of Materials","2016","28","14","5073","","10.1021/acs.chemmater.6b01916","","x-ray","0.71073","MoKα","","0.0602","0.0472","","","0.1224","0.1311","","","","","","1.067","","","","has coordinates","288505","2023-12-22","15:12:01",""
"4003262","9.0205","0.0006","8.5963","0.0004","14.2881","0.0008","90","","107.101","0.003","90","","1058.96","0.11","200","2","200","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","200K","","","- C14 H30 I2 O6 -","- C14 H30 I2 O6 -","- C28 H60 I4 O12 -","2","0.5","","Engel, Emile R.; Smith, Vincent J.; Bezuidenhout, Charl X.; Barbour, Leonard J.","Thermoresponsive Organic Inclusion Compounds: Modification of Thermal Expansion Behavior by Simple Guest Replacement","Chemistry of Materials","2016","28","14","5073","","10.1021/acs.chemmater.6b01916","","","0.71073","MoKα","","0.0292","0.0245","","","0.055","0.0574","","","","","","1.036","","","","has coordinates","231467","2020-10-21","18:00:00",""
"4003263","9.0605","0.0003","8.6754","0.0002","14.2921","0.0005","90","","106.832","0.002","90","","1075.28","0.06","260","2","260","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","260K","","","- C14 H30 I2 O6 -","- C14 H30 I2 O6 -","- C28 H60 I4 O12 -","2","0.5","","Engel, Emile R.; Smith, Vincent J.; Bezuidenhout, Charl X.; Barbour, Leonard J.","Thermoresponsive Organic Inclusion Compounds: Modification of Thermal Expansion Behavior by Simple Guest Replacement","Chemistry of Materials","2016","28","14","5073","","10.1021/acs.chemmater.6b01916","","","0.71073","MoKα","","0.0452","0.0334","","","0.075","0.0814","","","","","","1.022","","","","has coordinates","231468","2020-10-21","18:00:00",""
"4003264","9.0683","0.0003","8.6955","0.0002","14.2945","0.0005","90","","106.751","0.002","90","","1079.34","0.06","273","2","273","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","273K","","","- C14 H30 I2 O6 -","- C14 H30 I2 O6 -","- C28 H60 I4 O12 -","2","0.5","","Engel, Emile R.; Smith, Vincent J.; Bezuidenhout, Charl X.; Barbour, Leonard J.","Thermoresponsive Organic Inclusion Compounds: Modification of Thermal Expansion Behavior by Simple Guest Replacement","Chemistry of Materials","2016","28","14","5073","","10.1021/acs.chemmater.6b01916","","","0.71073","MoKα","","0.0514","0.0354","","","0.0795","0.0879","","","","","","1.028","","","","has coordinates","231469","2020-10-21","18:00:00",""
"4003265","9.0082","0.0006","8.5752","0.0005","14.2853","0.0008","90","","107.142","0.003","90","","1054.48","0.11","180","2","180.15","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","180K","","","- C14 H30 I2 O6 -","- C14 H30 I2 O6 -","- C28 H60 I4 O12 -","2","0.5","","Engel, Emile R.; Smith, Vincent J.; Bezuidenhout, Charl X.; Barbour, Leonard J.","Thermoresponsive Organic Inclusion Compounds: Modification of Thermal Expansion Behavior by Simple Guest Replacement","Chemistry of Materials","2016","28","14","5073","","10.1021/acs.chemmater.6b01916","","","0.71073","MoKα","","0.0252","0.0221","","","0.0489","0.0505","","","","","","1.03","","","","has coordinates","231470","2020-10-21","18:00:00",""
"4003266","9.1465","0.0001","8.4358","0.0001","13.6024","0.0002","90","","104.915","0.001","90","","1014.17","0.02","240","2","240","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","240K","","","- C16 H30 N2 O6 -","- C16 H30 N2 O6 -","- C32 H60 N4 O12 -","2","0.5","","Engel, Emile R.; Smith, Vincent J.; Bezuidenhout, Charl X.; Barbour, Leonard J.","Thermoresponsive Organic Inclusion Compounds: Modification of Thermal Expansion Behavior by Simple Guest Replacement","Chemistry of Materials","2016","28","14","5073","","10.1021/acs.chemmater.6b01916","","","0.71073","MoKα","","0.0779","0.0552","","","0.167","0.1839","","","","","","1.095","","","","has coordinates,has disorder","231471","2020-10-21","18:00:00",""
"4003267","9.1309","0.0002","8.4825","0.0001","13.6493","0.0002","90","","104.776","0.001","90","","1022.22","0.03","273","2","273","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","273K","","","- C16 H30 N2 O6 -","- C16 H30 N2 O6 -","- C32 H60 N4 O12 -","2","0.5","","Engel, Emile R.; Smith, Vincent J.; Bezuidenhout, Charl X.; Barbour, Leonard J.","Thermoresponsive Organic Inclusion Compounds: Modification of Thermal Expansion Behavior by Simple Guest Replacement","Chemistry of Materials","2016","28","14","5073","","10.1021/acs.chemmater.6b01916","","","0.71073","MoKα","","0.0844","0.0579","","","0.1714","0.1915","","","","","","1.071","","","","has coordinates,has disorder","231472","2020-10-21","18:00:00",""
"4003268","9.1488","0.0015","8.1812","0.0013","13.928","0.002","90","","101.529","0.002","90","","1021.5","0.3","260","2","260","2","","","101.3","","","","sigma","4","P 1 21/n 1","-P 2yn","14","260K","","","- C14 H30 N2 O10 -","- C14 H30 N2 O10 -","- C28 H60 N4 O20 -","2","0.5","","Engel, Emile R.; Smith, Vincent J.; Bezuidenhout, Charl X.; Barbour, Leonard J.","Thermoresponsive Organic Inclusion Compounds: Modification of Thermal Expansion Behavior by Simple Guest Replacement","Chemistry of Materials","2016","28","14","5073","","10.1021/acs.chemmater.6b01916","","x-ray","0.71073","MoKα","","0.1035","0.0737","","","0.2245","0.2492","","","","","","1.084","","","","has coordinates","288505","2023-12-22","15:12:01",""
"4003269","9.1539","0.0001","8.4091","0.0001","13.5804","0.0002","90","","104.987","0.001","90","","1009.81","0.02","220","2","220","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","220K","","","- C16 H30 N2 O6 -","- C16 H30 N2 O6 -","- C32 H60 N4 O12 -","2","0.5","","Engel, Emile R.; Smith, Vincent J.; Bezuidenhout, Charl X.; Barbour, Leonard J.","Thermoresponsive Organic Inclusion Compounds: Modification of Thermal Expansion Behavior by Simple Guest Replacement","Chemistry of Materials","2016","28","14","5073","","10.1021/acs.chemmater.6b01916","","","0.71073","MoKα","","0.0749","0.0557","","","0.1644","0.1783","","","","","","1.086","","","","has coordinates,has disorder","231474","2020-10-21","18:00:00",""
"4003270","9.1653","0.0002","8.3545","0.0002","13.5416","0.0003","90","","105.108","0.001","90","","1001.06","0.04","180","2","180","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","180K","","","- C16 H30 N2 O6 -","- C16 H30 N2 O6 -","- C32 H60 N4 O12 -","2","0.5","","Engel, Emile R.; Smith, Vincent J.; Bezuidenhout, Charl X.; Barbour, Leonard J.","Thermoresponsive Organic Inclusion Compounds: Modification of Thermal Expansion Behavior by Simple Guest Replacement","Chemistry of Materials","2016","28","14","5073","","10.1021/acs.chemmater.6b01916","","","0.71073","MoKα","","0.0778","0.0639","","","0.1752","0.1847","","","","","","1.095","","","","has coordinates,has disorder","231475","2020-10-21","18:00:00",""
"4003271","9.2668","0.0013","7.9623","0.0011","13.7151","0.0019","90","","100.907","0.002","90","","993.7","0.2","180","2","180","2","","","101.3","","","","sigma","4","P 1 21/n 1","-P 2yn","14","180K","","","- C14 H30 N2 O10 -","- C14 H30 N2 O10 -","- C28 H60 N4 O20 -","2","0.5","","Engel, Emile R.; Smith, Vincent J.; Bezuidenhout, Charl X.; Barbour, Leonard J.","Thermoresponsive Organic Inclusion Compounds: Modification of Thermal Expansion Behavior by Simple Guest Replacement","Chemistry of Materials","2016","28","14","5073","","10.1021/acs.chemmater.6b01916","","x-ray","0.71073","MoKα","","0.0492","0.0406","","","0.1031","0.1087","","","","","","1.085","","","","has coordinates","288505","2023-12-22","15:12:01",""
"4003272","9.0471","0.0004","8.647","0.0003","14.2901","0.0005","90","","106.938","0.002","90","","1069.42","0.07","240","2","240.15","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","240K","","","- C14 H30 I2 O6 -","- C14 H30 I2 O6 -","- C28 H60 I4 O12 -","2","0.5","","Engel, Emile R.; Smith, Vincent J.; Bezuidenhout, Charl X.; Barbour, Leonard J.","Thermoresponsive Organic Inclusion Compounds: Modification of Thermal Expansion Behavior by Simple Guest Replacement","Chemistry of Materials","2016","28","14","5073","","10.1021/acs.chemmater.6b01916","","","0.71073","MoKα","","0.0386","0.0308","","","0.0692","0.0733","","","","","","1.032","","","","has coordinates","231477","2020-10-21","18:00:00",""
"4003273","9.1378","0.0001","8.4636","0.0001","13.6287","0.0002","90","","104.84","0.001","90","","1018.87","0.02","260","2","260","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","260K","","","- C16 H30 N2 O6 -","- C16 H30 N2 O6 -","- C32 H60 N4 O12 -","2","0.5","","Engel, Emile R.; Smith, Vincent J.; Bezuidenhout, Charl X.; Barbour, Leonard J.","Thermoresponsive Organic Inclusion Compounds: Modification of Thermal Expansion Behavior by Simple Guest Replacement","Chemistry of Materials","2016","28","14","5073","","10.1021/acs.chemmater.6b01916","","","0.71073","MoKα","","0.0829","0.0561","","","0.1752","0.1947","","","","","","1.093","","","","has coordinates,has disorder","231478","2020-10-21","18:00:00",""
"4003274","9.162","0.0001","8.3819","0.0001","13.5583","0.0002","90","","105.053","0.001","90","","1005.48","0.02","200","2","200","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","200K","","","- C16 H30 N2 O6 -","- C16 H30 N2 O6 -","- C32 H60 N4 O12 -","2","0.5","","Engel, Emile R.; Smith, Vincent J.; Bezuidenhout, Charl X.; Barbour, Leonard J.","Thermoresponsive Organic Inclusion Compounds: Modification of Thermal Expansion Behavior by Simple Guest Replacement","Chemistry of Materials","2016","28","14","5073","","10.1021/acs.chemmater.6b01916","","","0.71073","MoKα","","0.0703","0.0559","","","0.1615","0.1727","","","","","","1.092","","","","has coordinates,has disorder","231479","2020-10-21","18:00:00",""
"4003275","9.1231","0.0014","8.2311","0.0013","13.982","0.002","90","","101.676","0.002","90","","1028.2","0.3","273","2","273","2","","","101.3","","","","sigma","4","P 1 21/n 1","-P 2yn","14","273K","","","- C14 H30 N2 O10 -","- C14 H30 N2 O10 -","- C28 H60 N4 O20 -","2","0.5","","Engel, Emile R.; Smith, Vincent J.; Bezuidenhout, Charl X.; Barbour, Leonard J.","Thermoresponsive Organic Inclusion Compounds: Modification of Thermal Expansion Behavior by Simple Guest Replacement","Chemistry of Materials","2016","28","14","5073","","10.1021/acs.chemmater.6b01916","","x-ray","0.71073","MoKα","","0.1167","0.0823","","","0.2599","0.2926","","","","","","1.047","","","","has coordinates","288505","2023-12-22","15:12:01",""
"4003276","9.1902","0.0015","8.1108","0.0013","13.853","0.002","90","","101.313","0.002","90","","1012.5","0.3","240","2","240","2","","","101.3","","","","Sigma","4","P 1 21/n 1","-P 2yn","14","240K","","","- C14 H30 N2 O10 -","- C14 H30 N2 O10 -","- C28 H60 N4 O20 -","2","0.5","","Engel, Emile R.; Smith, Vincent J.; Bezuidenhout, Charl X.; Barbour, Leonard J.","Thermoresponsive Organic Inclusion Compounds: Modification of Thermal Expansion Behavior by Simple Guest Replacement","Chemistry of Materials","2016","28","14","5073","","10.1021/acs.chemmater.6b01916","","x-ray","0.71073","MoKα","","0.0821","0.0604","","","0.1757","0.193","","","","","","1.113","","","","has coordinates","288505","2023-12-22","15:12:01",""
"4003277","9.0319","0.0005","8.6191","0.0004","14.286","0.0007","90","","107.033","0.002","90","","1063.34","0.09","220","2","220","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","220K","","","- C14 H30 I2 O6 -","- C14 H30 I2 O6 -","- C28 H60 I4 O12 -","2","0.5","","Engel, Emile R.; Smith, Vincent J.; Bezuidenhout, Charl X.; Barbour, Leonard J.","Thermoresponsive Organic Inclusion Compounds: Modification of Thermal Expansion Behavior by Simple Guest Replacement","Chemistry of Materials","2016","28","14","5073","","10.1021/acs.chemmater.6b01916","","","0.71073","MoKα","","0.0331","0.0272","","","0.0591","0.0622","","","","","","1.024","","","","has coordinates","231482","2020-10-21","18:00:00",""
"4003278","20.9002","0.0018","8.6559","0.0007","6.2386","0.0006","90","","90","","90","","1128.63","0.17","100","2","100","2","","","","","","","","3","P c c n","-P 2ab 2ac","56","","","","- C14 H12 S2 -","- C14 H12 S2 -","- C56 H48 S8 -","4","0.5","","Takai, Atsuro; Chen, Zhihua; Yu, Xinge; Zhou, Nanjia; Marks, Tobin J.; Facchetti, Antonio","Annulated Thienyl-Vinylene-Thienyl Building Blocks for π-Conjugated Copolymers: Ring Dimensions and Isomeric Structure Effects on π-Conjugation Length and Charge Transport","Chemistry of Materials","2016","28","16","5772","","10.1021/acs.chemmater.6b02007","","","1.54178","CuKα","","0.0738","0.063","","","0.1865","0.1945","","","","","","1.147","","","","has coordinates","231483","2020-10-21","18:00:00",""
"4003279","22.031","0.004","8.6634","0.0014","6.8845","0.001","90","","90","","90","","1314","0.4","100","2","99.99","","","","","","","","","3","P c c a","-P 2a 2ac","54","","","","- C16 H16 S2 -","- C16 H16 S2 -","- C64 H64 S8 -","4","0.5","","Takai, Atsuro; Chen, Zhihua; Yu, Xinge; Zhou, Nanjia; Marks, Tobin J.; Facchetti, Antonio","Annulated Thienyl-Vinylene-Thienyl Building Blocks for π-Conjugated Copolymers: Ring Dimensions and Isomeric Structure Effects on π-Conjugation Length and Charge Transport","Chemistry of Materials","2016","28","16","5772","","10.1021/acs.chemmater.6b02007","","","1.54178","CuKα","","0.1107","0.0988","","","0.2546","0.2626","","","","","","1.186","","","","has coordinates","231484","2020-10-21","18:00:00",""
"4003280","10.5548","0.0013","8.0291","0.001","6.8298","0.0009","90","","98.038","0.008","90","","573.11","0.13","100","2","99.99","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C14 H12 S2 -","- C14 H12 S2 -","- C28 H24 S4 -","2","0.5","","Takai, Atsuro; Chen, Zhihua; Yu, Xinge; Zhou, Nanjia; Marks, Tobin J.; Facchetti, Antonio","Annulated Thienyl-Vinylene-Thienyl Building Blocks for π-Conjugated Copolymers: Ring Dimensions and Isomeric Structure Effects on π-Conjugation Length and Charge Transport","Chemistry of Materials","2016","28","16","5772","","10.1021/acs.chemmater.6b02007","","","1.54178","CuKα","","0.0437","0.0378","","","0.0965","0.1005","","","","","","1.126","","","","has coordinates","231485","2020-10-21","18:00:00",""
"4003281","9.246","0.003","10.857","0.003","60.062","0.016","90","","90","","90","","6029","3","150","2","150","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","1-(2-methyl-5-(4-(phenylcarbarylmethyl)phenyl)-3-thienyl)-2-(2-methyl-5-phenyl-3-thienyl)perfluorocyclopentene","","- C35 H25 F6 N O2 S2 -","- C35 H25 F6 N O2 S2 -","- C280 H200 F48 N8 O16 S16 -","8","1","","Kitagawa, Daichi; Okuyama, Tomohiro; Tanaka, Rika; Kobatake, Seiya","Photoinduced Rapid and Explosive Fragmentation of Diarylethene Crystals Having Urethane Bonding","Chemistry of Materials","2016","28","14","4889","","10.1021/acs.chemmater.6b02017","","","0.71075","MoKα","","0.1074","0.0942","","","0.2454","0.2616","","","","","","1.014","","","","has coordinates,has disorder","231486","2020-10-21","18:00:00",""
"4003282","32.197","0.019","9.269","0.005","10.859","0.006","90","","98.61","0.05","90","","3204","3","123","2","123","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","1-(2-methyl-5-(4-(benzylcarbarylmethyl)phenyl)-3-thienyl)-2-(2-methyl-5-phenyl-3-thienyl)perfluorocyclopentene","","- C36 H27 F6 N O2 S2 -","- C36 H27 F6 N O2 S2 -","- C144 H108 F24 N4 O8 S8 -","4","1","","Kitagawa, Daichi; Okuyama, Tomohiro; Tanaka, Rika; Kobatake, Seiya","Photoinduced Rapid and Explosive Fragmentation of Diarylethene Crystals Having Urethane Bonding","Chemistry of Materials","2016","28","14","4889","","10.1021/acs.chemmater.6b02017","","","0.71075","MoKα","","0.0749","0.0632","","","0.1843","0.1901","","","","","","1.087","","","","has coordinates","231486","2020-10-21","18:00:00",""
"4003283","6.5409","0.0005","10.6885","0.0008","13.6742","0.0011","112.492","0.002","94.702","0.003","98.455","0.002","863.63","0.12","296","2","296","2","","","","","","","","3","P -1","-P 1","2","","","","- C19 H28 Se -","- C19 H28 Se -","- C38 H56 Se2 -","2","1","","Tsai, Che-En; Yu, Ruo-Han; Lin, Fang-Ju; Lai, Yu-Ying; Hsu, Jhih-Yang; Cheng, Sheng-Wen; Hsu, Chain-Shu; Cheng, Yen-Ju","Synthesis of a 4,9-Didodecyl Angular-Shaped Naphthodiselenophene Building Block To Achieve High-Mobility Transistors","Chemistry of Materials","2016","28","14","5121","","10.1021/acs.chemmater.6b02042","","","0.71073","MoKα","","0.0352","0.0279","","","0.0667","0.0697","","","","","","1.082","","","","has coordinates","231487","2020-10-21","18:00:00",""
"4003284","8.84","0.003","28.972","0.008","9.023","0.003","90","","106.224","0.004","90","","2218.9","1.2","90","","90","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C30 H21 N3 O -","- C30 H21 N3 O -","- C120 H84 N12 O4 -","4","1","","Ando, Shinji; Fukushima, Takanori; Yamaguchi, Takeo","Discrete Self-Assembly and Functionality of Guest Molecules in an Organic Framework","Chemistry of Materials","2016","28","16","5847","","10.1021/acs.chemmater.6b02230","","","0.71073","MoKα","","0.1244","0.0816","","","0.2196","0.2367","","","","","","1.374","","","","has coordinates","231488","2020-10-21","18:00:00",""
"4003285","8.83","0.005","8.862","0.005","13.016","0.008","104.659","0.009","99.961","0.01","104.811","0.008","921.4","0.9","90","2","90","2","","","","","","","","4","P -1","-P 1","2","","","","- C27 H16 N O -","- C27 H17 N O -","- C54 H34 N2 O2 -","2","1","","Ando, Shinji; Fukushima, Takanori; Yamaguchi, Takeo","Discrete Self-Assembly and Functionality of Guest Molecules in an Organic Framework","Chemistry of Materials","2016","28","16","5847","","10.1021/acs.chemmater.6b02230","","","0.71073","MoKα","","0.1326","0.0977","","","0.2527","0.2904","","","","","","1.066","","","","has coordinates","231489","2020-10-21","18:00:00",""
"4003286","8.804","0.002","9.4013","0.0018","14.585","0.004","72.697","0.011","86.345","0.016","72.304","0.014","1097.5","0.5","90","2","90","2","","","","","","","","4","P -1","-P 1","2","","","","- C32 H22 N2 O -","- C32 H22 N2 O -","- C64 H44 N4 O2 -","2","1","","Ando, Shinji; Fukushima, Takanori; Yamaguchi, Takeo","Discrete Self-Assembly and Functionality of Guest Molecules in an Organic Framework","Chemistry of Materials","2016","28","16","5847","","10.1021/acs.chemmater.6b02230","","","0.71073","MoKα","","0.1224","0.0614","","","0.1556","0.1877","","","","","","0.94","","","","has coordinates","231490","2020-10-21","18:00:00",""
"4003287","23.9625","0.0004","12.8754","0.0002","12.4685","0.0003","90","","90","","90","","3846.87","0.13","90","","90","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C28 H19 N O -","- C28 H19 N O -","- C224 H152 N8 O8 -","8","1","","Ando, Shinji; Fukushima, Takanori; Yamaguchi, Takeo","Discrete Self-Assembly and Functionality of Guest Molecules in an Organic Framework","Chemistry of Materials","2016","28","16","5847","","10.1021/acs.chemmater.6b02230","","","0.71073","MoKα","","0.0753","0.0513","","","0.1428","0.1577","","","","","","1.074","","","","has coordinates","231491","2020-10-21","18:00:00",""
"4003288","13.386","0.004","21.482","0.005","10.176","0.002","90","","94.752","0.008","90","","2916.1","1.2","110","","110","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C14.05 H8 Cd O6.05 S -","- C14.05 H8 Cd O6.05 S -","- C112.4 H64 Cd8 O48.4 S8 -","8","1","","Chen, Shoushun; Lucier, Bryan E.G.; Boyle, Paul D.; Huang, Yining","Understanding The Fascinating Origins of CO2 Adsorption and Dynamics in MOFs","Chemistry of Materials","2016","28","16","5829","","10.1021/acs.chemmater.6b02239","","","0.71073","MoKα","","0.0653","0.0376","","","0.0711","0.0782","","","","","","1.03","","","","has coordinates,has disorder","231492","2020-10-21","18:00:00",""
"4003289","13.391","0.003","21.45","0.004","10.1758","0.0015","90","","94.96","0.005","90","","2911.9","1","110","","110","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C14.43 H8 Cd O6.8 S -","- C14.431 H8 Cd O6.797 S -","- C115.448 H64 Cd8 O54.376 S8 -","8","1","","Chen, Shoushun; Lucier, Bryan E.G.; Boyle, Paul D.; Huang, Yining","Understanding The Fascinating Origins of CO2 Adsorption and Dynamics in MOFs","Chemistry of Materials","2016","28","16","5829","","10.1021/acs.chemmater.6b02239","","","0.71073","MoKα","","0.0502","0.0314","","","0.0591","0.064","","","","","","1.047","","","","has coordinates,has disorder","231493","2020-10-21","18:00:00",""
"4003290","5.8815","0.0016","13.035","0.003","19.371","0.004","90","","90","","90","","1485.1","0.6","110","","110","","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C14.45 H8 O6.89 Pb S -","- C14.447 H8 O6.894 Pb S -","- C57.788 H32 O27.576 Pb4 S4 -","4","0.5","","Chen, Shoushun; Lucier, Bryan E.G.; Boyle, Paul D.; Huang, Yining","Understanding The Fascinating Origins of CO2 Adsorption and Dynamics in MOFs","Chemistry of Materials","2016","28","16","5829","","10.1021/acs.chemmater.6b02239","","","0.71073","MoKα","","0.0385","0.0249","","","0.0404","0.0431","","","","","","1.04","","","","has coordinates,has disorder","231494","2020-10-21","18:00:00",""
"4003291","13.376","0.003","21.481","0.005","10.168","0.0017","90","","94.756","0.007","90","","2911.5","1.1","110","","110","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C14 H8 Cd O6 S -","- C14 H8 Cd O6 S -","- C112 H64 Cd8 O48 S8 -","8","1","","Chen, Shoushun; Lucier, Bryan E.G.; Boyle, Paul D.; Huang, Yining","Understanding The Fascinating Origins of CO2 Adsorption and Dynamics in MOFs","Chemistry of Materials","2016","28","16","5829","","10.1021/acs.chemmater.6b02239","","","0.71073","MoKα","","0.041","0.0264","","","0.0521","0.056","","","","","","1.033","","","","has coordinates,has disorder","231495","2020-10-21","18:00:00",""
"4003292","7.343","0.002","36.61","0.011","13.592","0.004","90","","90","","90","","3653.9","1.8","293","","293","","","","","","","","","7","I b a m","-I 2 2c","72","(DIETSe)2FeBr4","","","- C16 H8 Br4 Fe I4 S4 Se8 -","- C16 Br4 Fe I4 S4 Se8 -","- C64 Br16 Fe4 I16 S16 Se32 -","4","0.25","","Kawaguchi, Genta; Maesato, Mitsuhiko; Komatsu, Tokutaro; Imakubo, Tatsuro; Kiswandhi, Andhika; Graf, David; Kitagawa, Hiroshi","Use of Halogen Bonding in a Molecular Solid Solution to Simultaneously Control Spin and Charge","Chemistry of Materials","2016","28","20","7276","","10.1021/acs.chemmater.6b02495","","","0.71073","MoKα","","0.0386","0.0303","","","0.0768","0.081","","","","","","1.039","","","","has coordinates","231496","2020-10-21","18:00:00",""
"4003293","7.339","0.002","35.846","0.011","13.576","0.004","90","","90","","90","","3571.5","1.8","293","","293","","","","","","","","","7","I b a m","-I 2 2c","72","(DIETSe)2GaCl4","","","- C16 H8 Cl4 Ga I4 S4 Se8 -","- C16 Cl4 Ga I4 S4 Se8 -","- C64 Cl16 Ga4 I16 S16 Se32 -","4","0.25","","Kawaguchi, Genta; Maesato, Mitsuhiko; Komatsu, Tokutaro; Imakubo, Tatsuro; Kiswandhi, Andhika; Graf, David; Kitagawa, Hiroshi","Use of Halogen Bonding in a Molecular Solid Solution to Simultaneously Control Spin and Charge","Chemistry of Materials","2016","28","20","7276","","10.1021/acs.chemmater.6b02495","","","0.71073","MoKα","","0.0362","0.0266","","","0.0707","0.0778","","","","","","1.04","","","","has coordinates","231497","2020-10-21","18:00:00",""
"4003294","7.3315","0.0009","35.801","0.004","13.5837","0.0016","90","","90","","90","","3565.4","0.7","293","","293","","","","","","","","","7","I b a m","-I 2 2c","72","(DIETSe)2FeCl4","","","- C16 H8 Cl4 Fe I4 S4 Se8 -","- C16 Cl4 Fe I4 S4 Se8 -","- C64 Cl16 Fe4 I16 S16 Se32 -","4","0.25","","Kawaguchi, Genta; Maesato, Mitsuhiko; Komatsu, Tokutaro; Imakubo, Tatsuro; Kiswandhi, Andhika; Graf, David; Kitagawa, Hiroshi","Use of Halogen Bonding in a Molecular Solid Solution to Simultaneously Control Spin and Charge","Chemistry of Materials","2016","28","20","7276","","10.1021/acs.chemmater.6b02495","","","0.71073","MoKα","","0.0319","0.0261","","","0.0672","0.0715","","","","","","1.077","","","","has coordinates","231498","2020-10-21","18:00:00",""
"4003295","7.3519","0.0013","36.69","0.006","13.606","0.002","90","","90","","90","","3670.1","1","293","","293","","","","","","","","","7","I b a m","-I 2 2c","72","(DIETSe)2GaBr4","","","- C16 H8 Br4 Ga I4 S4 Se8 -","- C16 Br4 Ga I4 S4 Se8 -","- C64 Br16 Ga4 I16 S16 Se32 -","4","0.25","","Kawaguchi, Genta; Maesato, Mitsuhiko; Komatsu, Tokutaro; Imakubo, Tatsuro; Kiswandhi, Andhika; Graf, David; Kitagawa, Hiroshi","Use of Halogen Bonding in a Molecular Solid Solution to Simultaneously Control Spin and Charge","Chemistry of Materials","2016","28","20","7276","","10.1021/acs.chemmater.6b02495","","","0.71073","MoKα","","0.0381","0.0297","","","0.0714","0.076","","","","","","1.038","","","","has coordinates","231499","2020-10-21","18:00:00",""
"4003296","22.28","0.02","22.2","0.02","11.198","0.01","90","","90.931","0.008","90","","5538","9","150","2","150","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C29.33 H26.67 Cu1.33 N5.33 O8 S2.67 -","- C29.3333 H26.6667 Cu1.33333 N5.33333 O8 S2.66667 -","- C176 H160 Cu8 N32 O48 S16 -","6","1.5","","Zhang, Guiyang; Wei, Guangfeng; Liu, Zhipan; Oliver, Scott R. J.; Fei, Honghan","A Robust Sulfonate-Based Metal‒Organic Framework with Permanent Porosity for Efficient CO2 Capture and Conversion","Chemistry of Materials","2016","28","17","6276","","10.1021/acs.chemmater.6b02511","","","0.71073","MoKα","","0.0444","0.0371","","","0.0916","0.0951","","","","","","1.052","","","","has coordinates","231500","2020-10-21","18:00:00",""
"4003297","15.877","0.005","8.568","0.005","23.078","0.005","90","0.005","90","0.005","90","0.005","3139","2","296","","296","","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C3 H10 Br3 N Sn -","- C3 Br3 N Sn -","- C36 Br36 N12 Sn12 -","12","3","","Dang, Yangyang; Zhong, Cheng; Zhang, Guodong; Ju, Dianxing; Wang, Lei; Xia, Shengqing; Xia, Haibing; Tao, Xutang","Crystallographic Investigations into Properties of Acentric Hybrid Perovskite Single Crystals NH(CH3)3SnX3 (X = Cl, Br)","Chemistry of Materials","2016","28","19","6968","","10.1021/acs.chemmater.6b02653","","","0.71069","MoKα","","0.0735","0.0389","","","0.084","0.0929","","","","","","1.134","","","","has coordinates","231501","2020-10-21","18:00:00",""
"4003298","9.598","0.005","8.368","0.005","12.416","0.005","90","0.005","90","0.005","90","0.005","997.2","0.9","420","","420","","","","","","","","","5","C m c 21","C 2c -2","36","","","","- C3 H10 Cl3 N Sn -","- C3 H9 Cl3 N Sn -","- C12 H36 Cl12 N4 Sn4 -","4","0.5","","Dang, Yangyang; Zhong, Cheng; Zhang, Guodong; Ju, Dianxing; Wang, Lei; Xia, Shengqing; Xia, Haibing; Tao, Xutang","Crystallographic Investigations into Properties of Acentric Hybrid Perovskite Single Crystals NH(CH3)3SnX3 (X = Cl, Br)","Chemistry of Materials","2016","28","19","6968","","10.1021/acs.chemmater.6b02653","","","0.71069","MoKα","","0.0357","0.0262","","","0.0611","0.0672","","","","","","1.043","","","","has coordinates","231502","2020-10-21","18:00:00",""
"4003299","9.37","0.007","8.267","0.007","12.355","0.01","90","","92.172","0.009","90","","956.4","1.3","260","","260","","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C3 H10 Cl3 N Sn -","- C3 Cl3 N Sn -","- C12 Cl12 N4 Sn4 -","4","1","","Dang, Yangyang; Zhong, Cheng; Zhang, Guodong; Ju, Dianxing; Wang, Lei; Xia, Shengqing; Xia, Haibing; Tao, Xutang","Crystallographic Investigations into Properties of Acentric Hybrid Perovskite Single Crystals NH(CH3)3SnX3 (X = Cl, Br)","Chemistry of Materials","2016","28","19","6968","","10.1021/acs.chemmater.6b02653","","","0.71073","MoKα","","0.0815","0.0805","","","0.2178","0.2186","","","","","","1.065","","","","has coordinates","231503","2020-10-21","18:00:00",""
"4003300","9.476","0.005","8.29","0.005","12.34","0.005","90","0.005","90","0.005","90","0.005","969.4","0.9","296","","296","","","","","","","","","5","C m c 21","C 2c -2","36","","","","- C3 H10 Cl3 N Sn -","- C3 H9 Cl3 N Sn -","- C12 H36 Cl12 N4 Sn4 -","4","0.5","","Dang, Yangyang; Zhong, Cheng; Zhang, Guodong; Ju, Dianxing; Wang, Lei; Xia, Shengqing; Xia, Haibing; Tao, Xutang","Crystallographic Investigations into Properties of Acentric Hybrid Perovskite Single Crystals NH(CH3)3SnX3 (X = Cl, Br)","Chemistry of Materials","2016","28","19","6968","","10.1021/acs.chemmater.6b02653","","","0.71069","MoKα","","0.0177","0.0171","","","0.0432","0.0435","","","","","","1.098","","","","has coordinates","231504","2020-10-21","18:00:00",""
"4003301","21.9524","0.0006","21.9524","0.0006","21.9524","0.0006","90","","90","","90","","10579","0.5","296","2","296.15","","","","","","","","","5","P -4 3 n","P -4n 2 3","218","","","","- C24 H9 Fe3 N3 O16 -","- C24 H9 Fe3 N3 O16 -","- C192 H72 Fe24 N24 O128 -","8","0.333333","","Cairns, Amy J.; Eckert, Juergen; Wojtas, Lukasz; Thommes, Matthias; Wallacher, Dirk; Georgiev, Peter A.; Forster, Paul M.; Belmabkhout, Youssef; Ollivier, Jacques; Eddaoudi, Mohamed","Gaining Insights on the H2‒Sorbent Interactions: Robust soc-MOF Platform as a Case Study","Chemistry of Materials","2016","28","20","7353","","10.1021/acs.chemmater.6b02817","","","0.7709","synchrotronx-ray","","0.0453","0.0377","","","0.0867","0.0892","","","","","","0.972","","","","has coordinates","231505","2020-10-21","18:00:00",""
"4003302","22.453","0.0004","22.453","0.0004","22.453","0.0004","90","","90","","90","","11319.4","0.3","100","2","100","2","","","","","","","","6","P -4 3 n","P -4n 2 3","218","","","","- C24 H25.5 Br In3 N3 O21.25 -","- C24 H10.5 Br0.99 In3 N3 O21.27 -","- C192 H84 Br7.92 In24 N24 O170.16 -","8","0.333333","","Cairns, Amy J.; Eckert, Juergen; Wojtas, Lukasz; Thommes, Matthias; Wallacher, Dirk; Georgiev, Peter A.; Forster, Paul M.; Belmabkhout, Youssef; Ollivier, Jacques; Eddaoudi, Mohamed","Gaining Insights on the H2‒Sorbent Interactions: Robust soc-MOF Platform as a Case Study","Chemistry of Materials","2016","28","20","7353","","10.1021/acs.chemmater.6b02817","","","1.54178","CuKα","","0.0426","0.0391","","","0.1121","0.1145","","","","","","1.076","","","","has coordinates","231506","2020-10-21","18:00:00",""
"4003303","21.872","0.0009","21.872","0.0009","21.872","0.0009","90","","90","","90","","10463.2","0.7","225","2","225","2","","","","","","","","6","P -4 3 n","P -4n 2 3","218","","","","- C24 H15 Cl Fe3 N3 O16 -","- C24 H9 Cl1.01 Fe3 N3 O16 -","- C192 H72 Cl8.08 Fe24 N24 O128 -","8","0.333333","","Cairns, Amy J.; Eckert, Juergen; Wojtas, Lukasz; Thommes, Matthias; Wallacher, Dirk; Georgiev, Peter A.; Forster, Paul M.; Belmabkhout, Youssef; Ollivier, Jacques; Eddaoudi, Mohamed","Gaining Insights on the H2‒Sorbent Interactions: Robust soc-MOF Platform as a Case Study","Chemistry of Materials","2016","28","20","7353","","10.1021/acs.chemmater.6b02817","","","1.54178","CuKα","","0.0917","0.0621","","","0.1665","0.1804","","","","","","1.016","","","","has coordinates","231507","2020-10-21","18:00:00",""
"4003304","22.457","0.0003","22.457","0.0003","22.457","0.0003","90","","90","","90","","11325.4","0.3","100","2","100","2","","","","","","","","6","P -4 3 n","P -4n 2 3","218","","","","- C24 H23.7 Cl In3 N3 O20.35 -","- C24 H9 Cl0.99 In3 N3 O20.33 -","- C192 H72 Cl7.92 In24 N24 O162.64 -","8","0.333333","","Cairns, Amy J.; Eckert, Juergen; Wojtas, Lukasz; Thommes, Matthias; Wallacher, Dirk; Georgiev, Peter A.; Forster, Paul M.; Belmabkhout, Youssef; Ollivier, Jacques; Eddaoudi, Mohamed","Gaining Insights on the H2‒Sorbent Interactions: Robust soc-MOF Platform as a Case Study","Chemistry of Materials","2016","28","20","7353","","10.1021/acs.chemmater.6b02817","","","1.54178","CuKα","","0.0417","0.0385","","","0.1116","0.1139","","","","","","1.053","","","","has coordinates","231508","2020-10-21","18:00:00",""
"4003305","7.642","0.0006","14.5365","0.0012","14.957","0.0012","90","","90","","90","","1661.5","0.2","298","","298","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C9 H15 Cr Mn N8 O2 -","- C9 H14 Cr Mn N8 O2 -","- C36 H56 Cr4 Mn4 N32 O8 -","4","1","","Yoshida, Yusuke; Inoue, Katsuya; Kikuchi, Koichi; Kurmoo, Mohamedally","Biomimetic Transformation by a Crystal of a Chiral MnII‒CrIII Ferrimagnetic Prussian Blue Analogue","Chemistry of Materials","2016","28","19","7029","","10.1021/acs.chemmater.6b02852","","","0.71073","MoKα","","0.0387","0.0309","","","0.0725","0.075","","","","","","0.982","","","","has coordinates","231509","2020-10-21","18:00:00",""
"4003306","7.4503","0.0016","14.465","0.003","15.649","0.003","90","","90","","90","","1686.5","0.6","330","","330","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C9 H15 Cr Mn N8 O2 -","- C9 H11 Cr Mn N8 O2 -","- C36 H44 Cr4 Mn4 N32 O8 -","4","1","","Yoshida, Yusuke; Inoue, Katsuya; Kikuchi, Koichi; Kurmoo, Mohamedally","Biomimetic Transformation by a Crystal of a Chiral MnII‒CrIII Ferrimagnetic Prussian Blue Analogue","Chemistry of Materials","2016","28","19","7029","","10.1021/acs.chemmater.6b02852","","","0.71073","MoKα","","0.0505","0.0371","","","0.0904","0.0942","","","","","","0.981","","","","has coordinates","231509","2020-10-21","18:00:00",""
"4003307","7.4439","0.0007","14.4725","0.0014","15.6319","0.0015","90","","90","","90","","1684.1","0.3","298","","298","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C9 H15 Cr Mn N8 O2 -","- C9 H13 Cr Mn N8 O2 -","- C36 H52 Cr4 Mn4 N32 O8 -","4","1","","Yoshida, Yusuke; Inoue, Katsuya; Kikuchi, Koichi; Kurmoo, Mohamedally","Biomimetic Transformation by a Crystal of a Chiral MnII‒CrIII Ferrimagnetic Prussian Blue Analogue","Chemistry of Materials","2016","28","19","7029","","10.1021/acs.chemmater.6b02852","","","0.71073","MoKα","","0.0455","0.0364","","","0.0882","0.0913","","","","","","0.963","","","","has coordinates","231509","2020-10-21","18:00:00",""
"4003308","7.6421","0.001","14.5416","0.0019","14.958","0.002","90","","90","","90","","1662.3","0.4","298","","298","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C9 H15 Cr Mn N8 O2 -","- C9 H15 Cr Mn N8 O2 -","- C36 H60 Cr4 Mn4 N32 O8 -","4","1","","Yoshida, Yusuke; Inoue, Katsuya; Kikuchi, Koichi; Kurmoo, Mohamedally","Biomimetic Transformation by a Crystal of a Chiral MnII‒CrIII Ferrimagnetic Prussian Blue Analogue","Chemistry of Materials","2016","28","19","7029","","10.1021/acs.chemmater.6b02852","","","0.71073","MoKα","","0.0402","0.0322","","","0.0743","0.0772","","","","","","0.978","","","","has coordinates","231509","2020-10-21","18:00:00",""
"4003309","7.425","0.0006","14.5177","0.0011","15.5242","0.0012","90","","90","","90","","1673.4","0.2","200","","200","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C9 H15 Cr Mn N8 O2 -","- C9 H14 Cr Mn N8 O2 -","- C36 H56 Cr4 Mn4 N32 O8 -","4","1","","Yoshida, Yusuke; Inoue, Katsuya; Kikuchi, Koichi; Kurmoo, Mohamedally","Biomimetic Transformation by a Crystal of a Chiral MnII‒CrIII Ferrimagnetic Prussian Blue Analogue","Chemistry of Materials","2016","28","19","7029","","10.1021/acs.chemmater.6b02852","","","0.71073","MoKα","","0.0352","0.0303","","","0.0733","0.0749","","","","","","1.003","","","","has coordinates","231509","2020-10-21","18:00:00",""
"4003310","7.6459","0.0007","14.5442","0.0012","14.9647","0.0013","90","","90","","90","","1664.1","0.3","298","","298","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C9 H15 Cr Mn N8 O2 -","- C9 H14 Cr Mn N8 O2 -","- C36 H56 Cr4 Mn4 N32 O8 -","4","1","","Yoshida, Yusuke; Inoue, Katsuya; Kikuchi, Koichi; Kurmoo, Mohamedally","Biomimetic Transformation by a Crystal of a Chiral MnII‒CrIII Ferrimagnetic Prussian Blue Analogue","Chemistry of Materials","2016","28","19","7029","","10.1021/acs.chemmater.6b02852","","","0.71073","MoKα","","0.039","0.0311","","","0.0727","0.0751","","","","","","0.982","","","","has coordinates","231509","2020-10-21","18:00:00",""
"4003311","7.712","0.003","13.401","0.005","14.058","0.005","90","","90","","90","","1452.9","0.9","298","","298","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C9 H11 Cr Mn N8 -","- C9 H11 Cr Mn N8 -","- C36 H44 Cr4 Mn4 N32 -","4","1","","Yoshida, Yusuke; Inoue, Katsuya; Kikuchi, Koichi; Kurmoo, Mohamedally","Biomimetic Transformation by a Crystal of a Chiral MnII‒CrIII Ferrimagnetic Prussian Blue Analogue","Chemistry of Materials","2016","28","19","7029","","10.1021/acs.chemmater.6b02852","","","0.71073","MoKα","","0.1096","0.0707","","","0.1594","0.1817","","","","","","1.136","","","","has coordinates","231509","2020-10-21","18:00:00",""
"4003312","7.6695","0.0016","14.586","0.003","15.013","0.003","90","","90","","90","","1679.5","0.6","298","","298","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C9 H15 Cr Mn N8 O2 -","- C9 H11 Cr Mn N8 O2 -","- C36 H44 Cr4 Mn4 N32 O8 -","4","1","","Yoshida, Yusuke; Inoue, Katsuya; Kikuchi, Koichi; Kurmoo, Mohamedally","Biomimetic Transformation by a Crystal of a Chiral MnII‒CrIII Ferrimagnetic Prussian Blue Analogue","Chemistry of Materials","2016","28","19","7029","","10.1021/acs.chemmater.6b02852","","","0.71073","MoKα","","0.1497","0.0897","","","0.1937","0.23","","","","","","1.256","","","","has coordinates","231509","2020-10-21","18:00:00",""
"4003313","8.9159","0.0007","20.0335","0.0015","8.9925","0.0006","90","","91.875","0.006","90","","1605.4","0.2","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C5 H11 I4 N3 Pb -","- C5 H11 I4 N3 Pb -","- C20 H44 I16 N12 Pb4 -","4","1","","Mao, Lingling; Tsai, Hsinhan; Nie, Wanyi; Ma, Lin; Im, Jino; Stoumpos, Constantinos C.; Malliakas, Christos D.; Hao, Feng; Wasielewski, Michael R.; Mohite, Aditya D.; Kanatzidis, Mercouri G.","Role of Organic Counterion in Lead- and Tin-Based Two-Dimensional Semiconducting Iodide Perovskites and Application in Planar Solar Cells","Chemistry of Materials","2016","28","21","7781","","10.1021/acs.chemmater.6b03054","","","0.71073","MoKα","","0.0639","0.0541","","","0.141","0.1501","","","","","","1.027","","","","has coordinates","231510","2020-10-21","18:00:00",""
"4003314","8.7411","0.0004","20.0449","0.0007","8.9845","0.0003","90","","91.571","0.003","90","","1573.62","0.1","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C5 H11 I4 N3 Sn -","- C5 H11 I4 N3 Sn -","- C20 H44 I16 N12 Sn4 -","4","1","","Mao, Lingling; Tsai, Hsinhan; Nie, Wanyi; Ma, Lin; Im, Jino; Stoumpos, Constantinos C.; Malliakas, Christos D.; Hao, Feng; Wasielewski, Michael R.; Mohite, Aditya D.; Kanatzidis, Mercouri G.","Role of Organic Counterion in Lead- and Tin-Based Two-Dimensional Semiconducting Iodide Perovskites and Application in Planar Solar Cells","Chemistry of Materials","2016","28","21","7781","","10.1021/acs.chemmater.6b03054","","","0.71073","MoKα","","0.1111","0.0583","","","0.0916","0.1087","","","","","","1.096","","","","has coordinates","231510","2020-10-21","18:00:00",""
"4003315","9.1561","0.0005","8.6894","0.0003","28.7762","0.0015","90","","90","0.004","90","","2289.46","0.19","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C14 H20 I4 N2 Pb -","- C14 H20 I4 N2 Pb -","- C56 H80 I16 N8 Pb4 -","4","0.5","","Mao, Lingling; Tsai, Hsinhan; Nie, Wanyi; Ma, Lin; Im, Jino; Stoumpos, Constantinos C.; Malliakas, Christos D.; Hao, Feng; Wasielewski, Michael R.; Mohite, Aditya D.; Kanatzidis, Mercouri G.","Role of Organic Counterion in Lead- and Tin-Based Two-Dimensional Semiconducting Iodide Perovskites and Application in Planar Solar Cells","Chemistry of Materials","2016","28","21","7781","","10.1021/acs.chemmater.6b03054","","","0.71073","MoKα","","0.0727","0.0575","","","0.1308","0.1398","","","","","","1.099","","","","has coordinates","231510","2020-10-21","18:00:00",""
"4003316","9.0944","0.0004","8.6613","0.0006","28.764","0.0013","90","","90","","90","","2265.7","0.2","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C14 H20 I4 N2 Sn -","- C14 H20 I4 N2 Sn -","- C56 H80 I16 N8 Sn4 -","4","0.5","","Mao, Lingling; Tsai, Hsinhan; Nie, Wanyi; Ma, Lin; Im, Jino; Stoumpos, Constantinos C.; Malliakas, Christos D.; Hao, Feng; Wasielewski, Michael R.; Mohite, Aditya D.; Kanatzidis, Mercouri G.","Role of Organic Counterion in Lead- and Tin-Based Two-Dimensional Semiconducting Iodide Perovskites and Application in Planar Solar Cells","Chemistry of Materials","2016","28","21","7781","","10.1021/acs.chemmater.6b03054","","","0.71073","MoKα","","0.0469","0.0354","","","0.0852","0.0894","","","","","","1.089","","","","has coordinates","231510","2020-10-21","18:00:00",""
"4003317","17.41","0.002","27.438","0.004","18.341","0.002","90","","111.323","0.002","90","","8161.7","1.8","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C144 H162 Ag7.22 Au17.77 S18 -","- C144 H162 Ag7.224 Au17.776 S18 -","- C288 H324 Ag14.448 Au35.552 S36 -","2","0.5","","Yan, Nan; Liao, Lingwen; Yuan, Jinyun; Lin, Yue-jian; Weng, Lin-hong; Yang, Jinlong; Wu, Zhikun","Bimetal Doping in Nanoclusters: Synergistic or Counteractive?","Chemistry of Materials","2016","28","22","8240","","10.1021/acs.chemmater.6b03132","","","0.71073","MoKα","","0.1218","0.0525","","","0.1184","0.155","","","","","","1.014","","","","has coordinates,has disorder","231511","2020-10-21","18:00:00",""
"4003318","13.448","0.002","15.035","0.002","15.51","0.003","115.552","0.003","93.416","0.003","109.388","0.003","2592","0.7","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C51 H39 Ir N3 O3 P -","- C51 H39 Ir N3 O3 P -","- C102 H78 Ir2 N6 O6 P2 -","2","1","","Xu, Xianbin; Guo, Haoran; Zhao, Jiang; Liu, Boao; Yang, Xiaolong; Zhou, Guijiang; Wu, Zhaoxin","Asymmetric tris-Heteroleptic IridiumIII Complexes Containing a 9-Phenyl-9-phosphafluorene Oxide Moiety with Enhanced Charge Carrier Injection/Transporting Properties for Highly Efficient Solution-Processed Organic Light-Emitting Diodes","Chemistry of Materials","2016","28","23","8556","","10.1021/acs.chemmater.6b03177","","","0.71073","MoKα","","0.1311","0.0781","","","0.2092","0.23","","","","","","1.233","","","","has coordinates","231512","2020-10-21","18:00:00",""
"4003319","28.9782","0.001","17.9781","0.001","12.4794","0.0005","90","","90","","90","","6501.4","0.5","170","2","170","2","","","","","","","","7","P b c n","-P 2n 2ab","60","","","","- C27 H21 Br Cd Cl N3 O10 -","- C27 H21 Br Cd Cl N3 O10 -","- C216 H168 Br8 Cd8 Cl8 N24 O80 -","8","1","","An, Wen; Aulakh, Darpandeep; Zhang, Xuan; Verdegaal, Wolfgang; Dunbar, Kim R.; Wriedt, Mario","Switching of Adsorption Properties in a Zwitterionic Metal‒Organic Framework Triggered by Photogenerated Radical Triplets","Chemistry of Materials","2016","28","21","7825","","10.1021/acs.chemmater.6b03224","","","0.71073","MoKα","","0.1894","0.0686","","","0.1539","0.1892","","","","","","0.804","","","","has coordinates","231513","2020-10-21","18:00:00",""
"4003320","21.432","0.003","21.539","0.003","21.91","0.003","87.7621","0.0017","64.8727","0.0016","60.9692","0.0015","7826.3","1.9","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C176 H328 Ag62 B2 S44 -","- C176 H328 Ag62 B2 S44 -","- C176 H328 Ag62 B2 S44 -","1","0.5","","Jin, Shan; Wang, Shuxin; Xiong, Ling; Zhou, Meng; Chen, Shuang; Du, Wenjun; Xia, Andong; Pei, Yong; Zhu, Manzhou","Two Electron Reduction: From Quantum Dots to Metal Nanoclusters","Chemistry of Materials","2016","28","21","7905","","10.1021/acs.chemmater.6b03472","","","0.71073","MoKα","","0.1655","0.1134","","","0.323","0.3597","","","","","","1.121","","","","has coordinates,has disorder","231514","2020-10-21","18:00:00",""
"4003321","21.5488","0.0017","21.6774","0.0017","22.0348","0.0018","88","0.001","64.954","0.001","60.919","0.0012","7957.5","1.1","170","2","170","2","","","","","","","","5","P -1","-P 1","2","","","","- C176 H328 Ag62 B2 S45 -","- C176 H328 Ag62 B2 S45 -","- C176 H328 Ag62 B2 S45 -","1","0.5","","Jin, Shan; Wang, Shuxin; Xiong, Ling; Zhou, Meng; Chen, Shuang; Du, Wenjun; Xia, Andong; Pei, Yong; Zhu, Manzhou","Two Electron Reduction: From Quantum Dots to Metal Nanoclusters","Chemistry of Materials","2016","28","21","7905","","10.1021/acs.chemmater.6b03472","","","0.71073","MoKα","","0.0512","0.0488","","","0.1136","0.1146","","","","","","1.039","","","","has coordinates","231515","2020-10-21","18:00:00",""
"4003322","22.4465","0.0009","22.4465","0.0009","38.2453","0.0018","90","","90","","120","","16688.1","1.2","100","2","100","2","","","","","","","","5","P 3 1 c","P 3 -2c","159","","","","- C387 H291 Cl5 Cu29 N24 -","- C387 H291 Cl5 Cu29 N24 -","- C774 H582 Cl10 Cu58 N48 -","2","0.333333","","Nguyen, Thuy-Ai D.; Jones, Zachary R.; Leto, Domenick F.; Wu, Guang; Scott, Susannah L.; Hayton, Trevor W.","Ligand-Exchange-Induced Growth of an Atomically Precise Cu29 Nanocluster from a Smaller Cluster","Chemistry of Materials","2016","28","22","8385","","10.1021/acs.chemmater.6b03879","","","0.71073","MoKα","","0.1383","0.0697","","","0.1578","0.1888","","","","","","1.019","","","","has coordinates","231516","2020-10-21","18:00:00",""
"4003323","11.622","0.0006","16.3129","0.001","24.6222","0.0011","90","","96.269","0.003","90","","4640.2","0.4","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C54 H55 Cl Cu N2 O3 P -","- C54 H55 Cl Cu N2 O3 P -","- C216 H220 Cl4 Cu4 N8 O12 P4 -","4","1","","Nguyen, Thuy-Ai D.; Jones, Zachary R.; Leto, Domenick F.; Wu, Guang; Scott, Susannah L.; Hayton, Trevor W.","Ligand-Exchange-Induced Growth of an Atomically Precise Cu29 Nanocluster from a Smaller Cluster","Chemistry of Materials","2016","28","22","8385","","10.1021/acs.chemmater.6b03879","","","0.71073","MoKα","","0.1438","0.0738","","","0.1728","0.2075","","","","","","1.021","","","","has coordinates","231516","2020-10-21","18:00:00",""
"4003324","36.821","0.003","7.8463","0.0007","16.111","0.0014","90","","99.967","0.001","90","","4584.4","0.7","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","2-mesityl-3-methyl-1-(4-methylbenzyl)-1H-benzimidazolium iodide hemihydrate","","- C25 H28 I N2 O0.5 -","- C25 H28 I N2 O0.5 -","- C200 H224 I8 N16 O4 -","8","1","","Weissbach, Thomas; Wright, Andrew G.; Peckham, Timothy J.; Sadeghi Alavijeh, Alireza; Pan, Vivian; Kjeang, Erik; Holdcroft, Steven","Simultaneous, Synergistic Control of Ion Exchange Capacity and Cross-Linking of Sterically-Protected Poly(benzimidazolium)s","Chemistry of Materials","2016","28","21","8060","","10.1021/acs.chemmater.6b03902","","","0.71073","MoKα","","0.0303","0.0246","","","0.0645","0.0691","","","","","","1.031","","","","has coordinates","231517","2020-10-21","18:00:00",""
"4003325","4.982","0.003","4.982","0.003","29.2","0.03","90","","90","","120","","627.7","0.8","293","2","293","2","","","","","","","","5","R 3 2 :H","R 3 2""","155","","","","- B Br2 O3 Rb Zn2 -","- B Br2 O3 Rb Zn2 -","- B3 Br6 O9 Rb3 Zn6 -","3","0.166667","","Yang, Guangsai; Gong, Pifu; Lin, Zheshuai; Ye, Ning","AZn2BO3X2(A = K, Rb, NH4; X = Cl, Br): New Members of KBBF Family Exhibiting Large SHG Response and the Enhancement of Layer Interaction by Modified Structures","Chemistry of Materials","2016","28","24","9122","","10.1021/acs.chemmater.6b04272","","","0.71073","MoKα","","0.0597","0.0546","","","0.1234","0.1262","","","","","","1.079","","","","has coordinates","231518","2020-10-21","18:00:00",""
"4003326","4.9618","0.0006","4.9618","0.0006","28.199","0.007","90","","90","","120","","601.23","0.18","293","2","293","2","","","","","","","","5","R 3 2 :H","R 3 2""","155","","","","- B Br2 K O3 Zn2 -","- B Br2 K O3 Zn2 -","- B3 Br6 K3 O9 Zn6 -","3","0.166667","","Yang, Guangsai; Gong, Pifu; Lin, Zheshuai; Ye, Ning","AZn2BO3X2(A = K, Rb, NH4; X = Cl, Br): New Members of KBBF Family Exhibiting Large SHG Response and the Enhancement of Layer Interaction by Modified Structures","Chemistry of Materials","2016","28","24","9122","","10.1021/acs.chemmater.6b04272","","","0.71073","MoKα","","0.0322","0.0302","","","0.0591","0.0596","","","","","","0.984","","","","has coordinates","231519","2020-10-21","18:00:00",""
"4003327","4.952","0.006","4.952","0.006","27.05","0.05","90","","90","","120","","574.5","1.4","293","2","293","2","","","","","","","","6","R 3 2 :H","R 3 2""","155","","","","- B Cl2 H4 N O3 Zn2 -","- B Cl2 N O3 Zn2 -","- B3 Cl6 N3 O9 Zn6 -","3","0.166667","","Yang, Guangsai; Gong, Pifu; Lin, Zheshuai; Ye, Ning","AZn2BO3X2(A = K, Rb, NH4; X = Cl, Br): New Members of KBBF Family Exhibiting Large SHG Response and the Enhancement of Layer Interaction by Modified Structures","Chemistry of Materials","2016","28","24","9122","","10.1021/acs.chemmater.6b04272","","","0.71073","MoKα","","0.046","0.0449","","","0.1012","0.1016","","","","","","1.05","","","","has coordinates","231520","2020-10-21","18:00:00",""
"4003328","4.9624","0.0006","4.9624","0.0006","26.386","0.005","90","","90","","120","","562.71","0.14","293","2","293","2","","","","","","","","5","R 3 2 :H","R 3 2""","155","","","","- B Cl2 K O3 Zn2 -","- B Cl2 K O3 Zn2 -","- B3 Cl6 K3 O9 Zn6 -","3","0.166667","","Yang, Guangsai; Gong, Pifu; Lin, Zheshuai; Ye, Ning","AZn2BO3X2(A = K, Rb, NH4; X = Cl, Br): New Members of KBBF Family Exhibiting Large SHG Response and the Enhancement of Layer Interaction by Modified Structures","Chemistry of Materials","2016","28","24","9122","","10.1021/acs.chemmater.6b04272","","","0.71073","MoKα","","0.0215","0.0197","","","0.0389","0.0394","","","","","","1.034","","","","has coordinates","231521","2020-10-21","18:00:00",""
"4003329","4.9611","0.0005","4.9611","0.0005","27.221","0.006","90","","90","","120","","580.22","0.15","293","2","293","2","","","","","","","","5","R 3 2 :H","R 3 2""","155","","","","- B Cl2 O3 Rb Zn2 -","- B Cl2 O3 Rb Zn2 -","- B3 Cl6 O9 Rb3 Zn6 -","3","0.166667","","Yang, Guangsai; Gong, Pifu; Lin, Zheshuai; Ye, Ning","AZn2BO3X2(A = K, Rb, NH4; X = Cl, Br): New Members of KBBF Family Exhibiting Large SHG Response and the Enhancement of Layer Interaction by Modified Structures","Chemistry of Materials","2016","28","24","9122","","10.1021/acs.chemmater.6b04272","","","0.71073","MoKα","","0.0506","0.0472","","","0.124","0.1258","","","","","","1.035","","","","has coordinates","231522","2020-10-21","18:00:00",""
"4003330","7.6279","0.0011","7.6279","0.0011","13.99","0.003","90","","90","","120","","705","0.2","153.15","","153.15","","","","","","","","","5","P 63","P 6c","173","","","","- B Ba Be2 F3 O3 -","- B Ba Be2 F3 O3 -","- B6 Ba6 Be12 F18 O18 -","6","1","","Guo, Shu; Jiang, Xingxing; Liu, Lijuan; Xia, Mingjun; Fang, Zhi; Wang, Xiaoyang; Lin, Zheshuai; Chen, Chuangtian","BaBe2BO3F3: A KBBF-Type Deep-Ultraviolet Nonlinear Optical Material with Reinforced [Be2BO3F2]∞Layers and Short Phase-Matching Wavelength","Chemistry of Materials","2016","28","24","8871","","10.1021/acs.chemmater.6b04403","","","0.71073","MoKα","","0.0502","0.0363","","","0.0768","0.0825","","","","","","1.01","","","","has coordinates","231523","2020-10-21","18:00:00",""
"4031762","6.5466","0.0002","9.2228","0.0003","20.4337","0.0007","90","","98.265","0.002","90","","1220.93","0.07","130","","130","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C31 H27 N3 O3 -","- C31 H27 N3 O3 -","- C62 H54 N6 O6 -","2","1","","Dai, Wei; Jiang, Xiao-Li; Tao, Ji-Yu; Shi, Feng","Application of 3-Methyl-2-vinylindoles in Catalytic Asymmetric Povarov Reaction: Diastereo- and Enantioselective Synthesis of Indole-Derived Tetrahydroquinolines.","The Journal of organic chemistry","2016","81","1","185","192","10.1021/acs.joc.5b02476","","","1.54178","CuKα","","0.0692","0.0685","","","0.201","0.2015","","","","","","1.105","","","","has coordinates","175798","2020-10-21","18:00:00",""
"4031763","7.65835","0.00018","7.90588","0.00018","24.3938","0.0007","88.9061","0.0007","82.0333","0.0007","79.5504","0.0007","1438.41","0.06","123","","123","","","","","","","","","6","P -1","-P 1","2","","","","- C33 H30 Br N O4 S -","- C33 H30 Br N O4 S -","- C66 H60 Br2 N2 O8 S2 -","2","1","","Tanimoto, Hiroki; Yokoyama, Keiichi; Mizutani, Yusuke; Shitaoka, Takashi; Morimoto, Tsumoru; Nishiyama, Yasuhiro; Kakiuchi, Kiyomi","Synthesis of α-Substituted Enoximes with Nucleophiles via Nitrosoallenes.","The Journal of organic chemistry","2016","81","2","559","574","10.1021/acs.joc.5b02364","","","0.71075","MoKα","","","0.0373","","","","0.1071","","","","","","1.114","","","","has coordinates","175796","2020-10-21","18:00:00",""
"4031764","19.0086","0.0004","8.50881","0.00015","30.3715","0.0006","90","","103.946","0.0007","90","","4767.52","0.16","123","","123","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C27 H29 N O3 S -","- C27 H29 N O3 S -","- C216 H232 N8 O24 S8 -","8","1","","Tanimoto, Hiroki; Yokoyama, Keiichi; Mizutani, Yusuke; Shitaoka, Takashi; Morimoto, Tsumoru; Nishiyama, Yasuhiro; Kakiuchi, Kiyomi","Synthesis of α-Substituted Enoximes with Nucleophiles via Nitrosoallenes.","The Journal of organic chemistry","2016","81","2","559","574","10.1021/acs.joc.5b02364","","","0.71075","MoKα","","0.0412","0.0378","","","0.0954","0.0972","","","","","","1.053","","","","has coordinates","175796","2020-10-21","18:00:00",""
"4031765","12.2761","0.0003","7.87636","0.00018","16.8396","0.0004","90","","92.7067","0.0008","90","","1626.42","0.07","123","","123","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C19 H20 N2 O -","- C19 H20 N2 O -","- C76 H80 N8 O4 -","4","2","","Tanimoto, Hiroki; Yokoyama, Keiichi; Mizutani, Yusuke; Shitaoka, Takashi; Morimoto, Tsumoru; Nishiyama, Yasuhiro; Kakiuchi, Kiyomi","Synthesis of α-Substituted Enoximes with Nucleophiles via Nitrosoallenes.","The Journal of organic chemistry","2016","81","2","559","574","10.1021/acs.joc.5b02364","","","0.71075","MoKα","","0.0545","0.0397","","","0.0901","0.1008","","","","","","1.09","","","","has coordinates","193981","2020-10-21","18:00:00",""
"4031766","8.6333","0.0003","8.8406","0.0003","12.4265","0.0004","96.9079","0.0007","105.026","0.0008","106.985","0.0008","856.1","0.05","113","","113","","","","","","","","","4","P -1","-P 1","2","","","","- C19 H20 N2 O3 -","- C19 H20 N2 O3 -","- C38 H40 N4 O6 -","2","1","","Tanimoto, Hiroki; Yokoyama, Keiichi; Mizutani, Yusuke; Shitaoka, Takashi; Morimoto, Tsumoru; Nishiyama, Yasuhiro; Kakiuchi, Kiyomi","Synthesis of α-Substituted Enoximes with Nucleophiles via Nitrosoallenes.","The Journal of organic chemistry","2016","81","2","559","574","10.1021/acs.joc.5b02364","","","0.71075","MoKα","","","0.0513","","","","0.1468","","","","","","1.216","","","","has coordinates","175796","2020-10-21","18:00:00",""
"4031767","12.393","0.0003","11.2794","0.0002","15.7786","0.0003","90","","100.164","0.0007","90","","2171.01","0.08","123","","123","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C26 H27 N O3 S -","- C26 H27 N O3 S -","- C104 H108 N4 O12 S4 -","4","1","","Tanimoto, Hiroki; Yokoyama, Keiichi; Mizutani, Yusuke; Shitaoka, Takashi; Morimoto, Tsumoru; Nishiyama, Yasuhiro; Kakiuchi, Kiyomi","Synthesis of α-Substituted Enoximes with Nucleophiles via Nitrosoallenes.","The Journal of organic chemistry","2016","81","2","559","574","10.1021/acs.joc.5b02364","","","0.71075","MoKα","","","0.0439","","","","0.113","","","","","","1.132","","","","has coordinates","175796","2020-10-21","18:00:00",""
"4031768","14.7965","0.001","15.5327","0.001","16.1201","0.0011","92.062","0.006","93.177","0.006","92.837","0.006","3691.9","0.4","93","","293","","","","","","","","","6","P -1","-P 1","2","","","","- C74 H50 B F20 N2 O4 -","- C73.9994 H49.9986 B F20 N2 O4 -","- C147.999 H99.9972 B2 F40 N4 O8 -","2","1","","Kurata, Ryohei; Tanaka, Kazuyoshi; Ito, Akihiro","Isolation and Characterization of Persistent Radical Cation and Dication of 2,7-Bis(dianisylamino)pyrene.","The Journal of organic chemistry","2016","81","1","137","145","10.1021/acs.joc.5b02425","","","1.54187","CuKα","","0.163","0.0757","","","0.1856","0.2468","","","","","","1.019","","","","has coordinates,has disorder","175800","2020-10-21","18:00:00",""
"4031769","10.5157","0.0007","10.6941","0.0007","15.312","0.001","90","","106.942","0.004","90","","1647.19","0.19","93","","293","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C44 H36 N2 O4 -","- C44 H36 N2 O4 -","- C88 H72 N4 O8 -","2","0.5","","Kurata, Ryohei; Tanaka, Kazuyoshi; Ito, Akihiro","Isolation and Characterization of Persistent Radical Cation and Dication of 2,7-Bis(dianisylamino)pyrene.","The Journal of organic chemistry","2016","81","1","137","145","10.1021/acs.joc.5b02425","","","1.54187","CuKα","","0.0496","0.0356","","","0.1094","0.1203","","","","","","0.917","","","","has coordinates","175800","2020-10-21","18:00:00",""
"4031770","22.6937","0.0015","25.4639","0.0017","31.677","0.002","90","","90","","90","","18305","2","93","","93","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C101 H57 B2 F40 N2 O4 -","- C89.7778 H50.6667 B1.77778 F35.5556 N1.77778 O3.55556 -","- C808 H456 B16 F320 N16 O32 -","9","1.125","","Kurata, Ryohei; Tanaka, Kazuyoshi; Ito, Akihiro","Isolation and Characterization of Persistent Radical Cation and Dication of 2,7-Bis(dianisylamino)pyrene.","The Journal of organic chemistry","2016","81","1","137","145","10.1021/acs.joc.5b02425","","","1.54187","CuKα","","0.05","0.039","","","0.1365","0.1475","","","","","","1.185","","","","has coordinates","175800","2020-10-21","18:00:00",""
"4031771","8.912","0.0008","5.8904","0.0006","18.4113","0.0016","90","","102.422","0.003","90","","943.88","0.15","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C19 H16 Br2 N2 O3 S -","- C19 H16 Br2 N2 O3 S -","- C38 H32 Br4 N4 O6 S2 -","2","1","","Cheng, Yi An; Yu, Wesley Zongrong; Yeung, Ying-Yeung","An unexpected Bromolactamization of Olefinic Amides Using a Three-Component Co-catalyst System.","The Journal of organic chemistry","2016","81","2","545","552","10.1021/acs.joc.5b02390","","","0.71073","MoKα","","0.024","0.0203","","","0.0385","0.0393","","","","","","1.035","","","","has coordinates","175795","2020-10-21","18:00:00",""
"4031772","16.66","0.009","6.124","0.004","17.274","0.01","90","","106.504","0.012","90","","1689.8","1.7","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C17 H16 Br N O3 S -","- C17 H16 Br N O3 S -","- C68 H64 Br4 N4 O12 S4 -","4","1","","Cheng, Yi An; Yu, Wesley Zongrong; Yeung, Ying-Yeung","An unexpected Bromolactamization of Olefinic Amides Using a Three-Component Co-catalyst System.","The Journal of organic chemistry","2016","81","2","545","552","10.1021/acs.joc.5b02390","","","0.71073","MoKα","","0.0461","0.0404","","","0.1098","0.114","","","","","","1.041","","","","has coordinates","175795","2020-10-21","18:00:00",""
"4031809","8.008","0.005","9.026","0.005","10.852","0.005","94.666","0.005","99.028","0.005","100.641","0.005","756.4","0.7","100","1","100","1","","","","","","","","4","P -1","-P 1","2","","","","- C16 H16 N2 O5 -","- C16 H16 N2 O5 -","- C32 H32 N4 O10 -","2","1","","Das, Debapratim; Biswas, Aniruddha; Karmakar, Ujjwal; Chand, Santanu; Samanta, Rajarshi","C6-Selective Direct Alkylation of Pyridones with Diazo Compounds under Rh(III)-Catalyzed Mild Conditions.","The Journal of organic chemistry","2016","81","3","842","848","10.1021/acs.joc.5b02349","","","0.71069","MoKα","","0.0716","0.0547","","","0.1528","0.1653","","","","","","1.096","","","","has coordinates","177420","2020-10-21","18:00:00",""
"4031810","10.977","0.005","9.936","0.005","16.271","0.005","90","0.005","100.318","0.005","90","0.005","1745.9","1.3","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C21 H18 N2 O4 -","- C21 H18 N2 O4 -","- C84 H72 N8 O16 -","4","1","","Das, Debapratim; Biswas, Aniruddha; Karmakar, Ujjwal; Chand, Santanu; Samanta, Rajarshi","C6-Selective Direct Alkylation of Pyridones with Diazo Compounds under Rh(III)-Catalyzed Mild Conditions.","The Journal of organic chemistry","2016","81","3","842","848","10.1021/acs.joc.5b02349","","","0.71073","MoKα","","0.0961","0.0522","","","0.1022","0.117","","","","","","1.026","","","","has coordinates","177420","2020-10-21","18:00:00",""
"4031811","12.8653","0.0012","9.0875","0.0009","15.0355","0.0014","90","","115.014","0.001","90","","1593","0.3","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H17 N O3 -","- C19 H17 N O3 -","- C76 H68 N4 O12 -","4","1","","Xia, Xiao-Feng; Zhu, Su-Li; Chen, Chao; Wang, Haijun; Liang, Yong-Min","Silver-Catalyzed Decarboxylative Addition/Cyclization of Activated Alkenes with Aliphatic Carboxylic Acids.","The Journal of organic chemistry","2016","81","3","1277","1284","10.1021/acs.joc.5b02594","","","0.71073","MoKα","","0.0448","0.038","","","0.1069","0.1129","","","","","","1.057","","","","has coordinates","177419","2020-10-21","18:00:00",""
"4031812","11.2623","0.0002","8.9195","0.0001","12.9754","0.0009","90","","114.397","0.008","90","","1187.04","0.11","295","2","295","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C25 H34 O4 Si -","- C25 H34 O4 Si -","- C50 H68 O8 Si2 -","2","1","","Shi, Hang; Tan, Ceheng; Zhang, Weibin; Zhang, Zichun; Long, Rong; Gong, Jianxian; Luo, Tuoping; Yang, Zhen","Gold-Catalyzed Enantio- and Diastereoselective Syntheses of Left Fragments of Azadirachtin/Meliacarpin-Type Limonoids.","The Journal of organic chemistry","2016","81","3","751","771","10.1021/acs.joc.5b02560","","","1.54187","CuKα","","0.0602","0.0502","","","0.1154","0.1402","","","","","","1.111","","","","has coordinates","177421","2020-10-21","18:00:00",""
"4031813","7.7056","0.0001","31.3414","0.0006","12.9403","0.0009","90","","92.142","0.007","90","","3123","0.2","113","2","113","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C30 H50 O4 Si2 -","- C30 H50 O4 Si2 -","- C120 H200 O16 Si8 -","4","1","","Shi, Hang; Tan, Ceheng; Zhang, Weibin; Zhang, Zichun; Long, Rong; Gong, Jianxian; Luo, Tuoping; Yang, Zhen","Gold-Catalyzed Enantio- and Diastereoselective Syntheses of Left Fragments of Azadirachtin/Meliacarpin-Type Limonoids.","The Journal of organic chemistry","2016","81","3","751","771","10.1021/acs.joc.5b02560","","","1.54178","CuKα","","0.0775","0.06","","","0.1564","0.1765","","","","","","1.099","","","","has coordinates","177421","2020-10-21","18:00:00",""
"4031814","7.702","0.0001","13.1321","0.0002","27.4999","0.0019","90","","90","","90","","2781.4","0.2","113","2","113","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C28 H44 O4 Si2 -","- C28 H44 O4 Si2 -","- C112 H176 O16 Si8 -","4","1","","Shi, Hang; Tan, Ceheng; Zhang, Weibin; Zhang, Zichun; Long, Rong; Gong, Jianxian; Luo, Tuoping; Yang, Zhen","Gold-Catalyzed Enantio- and Diastereoselective Syntheses of Left Fragments of Azadirachtin/Meliacarpin-Type Limonoids.","The Journal of organic chemistry","2016","81","3","751","771","10.1021/acs.joc.5b02560","","","1.54178","CuKα","","0.0375","0.0326","","","0.0727","0.0861","","","","","","1.143","","","","has coordinates","177421","2020-10-21","18:00:00",""
"4031815","9.3611","0.0003","10.4294","0.0004","12.5882","0.0009","91.067","0.006","109.523","0.008","106.48","0.007","1101.97","0.12","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- C25 H34 O5 -","- C25 H34 O5 -","- C50 H68 O10 -","2","1","","Shi, Hang; Tan, Ceheng; Zhang, Weibin; Zhang, Zichun; Long, Rong; Gong, Jianxian; Luo, Tuoping; Yang, Zhen","Gold-Catalyzed Enantio- and Diastereoselective Syntheses of Left Fragments of Azadirachtin/Meliacarpin-Type Limonoids.","The Journal of organic chemistry","2016","81","3","751","771","10.1021/acs.joc.5b02560","","","1.54178","CuKα","","0.0742","0.0543","","","0.1403","0.1716","","","","","","1.061","","","","has coordinates","177421","2020-10-21","18:00:00",""
"4031816","7.7133","0.0001","12.5483","0.0002","25.0132","0.0017","90","","90","","90","","2421","0.17","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C23 H36 O4 Si -","- C23 H36 O4 Si -","- C92 H144 O16 Si4 -","4","1","","Shi, Hang; Tan, Ceheng; Zhang, Weibin; Zhang, Zichun; Long, Rong; Gong, Jianxian; Luo, Tuoping; Yang, Zhen","Gold-Catalyzed Enantio- and Diastereoselective Syntheses of Left Fragments of Azadirachtin/Meliacarpin-Type Limonoids.","The Journal of organic chemistry","2016","81","3","751","771","10.1021/acs.joc.5b02560","","","1.54187","CuKα","","0.0646","0.0542","","","0.1417","0.1678","","","","","","1.228","","","","has coordinates","177421","2020-10-21","18:00:00",""
"4031817","10.07","0.0013","12.3582","0.0016","17.963","0.002","96.914","0.004","102.292","0.004","102.701","0.004","2097.7","0.5","200","2","200","2","","","","","","","","6","P -1","-P 1","2","1a in manuscript","","","- C40 H46 Cl4 N4 O0.5 Si2 -","- C40 H46 Cl4 N4 O0.235 Si2 -","- C80 H92 Cl8 N8 O0.47 Si4 -","2","1","","Engelhart, Jens U.; Paulus, Fabian; Schaffroth, Manuel; Vasilenko, Vladislav; Tverskoy, Olena; Rominger, Frank; Bunz, Uwe H. F.","Halogenated Symmetrical Tetraazapentacenes: Synthesis, Structures, and Properties.","The Journal of organic chemistry","2016","81","3","1198","1205","10.1021/acs.joc.5b02731","","","0.71073","MoKα","","0.1329","0.0717","","","0.1529","0.1875","","","","","","1.069","","","","has coordinates","177422","2020-10-21","18:00:00",""
"4031818","10.281","0.003","12.582","0.004","17.968","0.005","96.233","0.006","103.75","0.007","102.897","0.006","2168.4","1.1","200","2","200","2","","","","","","","","6","P -1","-P 1","2","1b in manuscript","","","- C40 H46 Br4 N4 O0.5 Si2 -","- C40 H46 Br4 N4 O0.123 Si2 -","- C80 H92 Br8 N8 O0.246 Si4 -","2","1","","Engelhart, Jens U.; Paulus, Fabian; Schaffroth, Manuel; Vasilenko, Vladislav; Tverskoy, Olena; Rominger, Frank; Bunz, Uwe H. F.","Halogenated Symmetrical Tetraazapentacenes: Synthesis, Structures, and Properties.","The Journal of organic chemistry","2016","81","3","1198","1205","10.1021/acs.joc.5b02731","","","0.71073","MoKα","","0.059","0.033","","","0.0696","0.0793","","","","","","1.031","","","","has coordinates,has disorder","177422","2020-10-21","18:00:00",""
"4031819","10.1041","0.0012","12.3922","0.0014","17.938","0.002","97.224","0.002","102.464","0.002","101.81","0.002","2112.5","0.4","200","2","200","2","","","","","","","","6","P -1","-P 1","2","6a in manuscript","","","- C40 H48.46 Cl4 N4 O0.23 Si2 -","- C40 H48 Cl4 N4 O0.229 Si2 -","- C80 H96 Cl8 N8 O0.458 Si4 -","2","1","","Engelhart, Jens U.; Paulus, Fabian; Schaffroth, Manuel; Vasilenko, Vladislav; Tverskoy, Olena; Rominger, Frank; Bunz, Uwe H. F.","Halogenated Symmetrical Tetraazapentacenes: Synthesis, Structures, and Properties.","The Journal of organic chemistry","2016","81","3","1198","1205","10.1021/acs.joc.5b02731","","","0.71073","MoKα","","0.1165","0.0584","","","0.1174","0.1418","","","","","","1.043","","","","has coordinates,has disorder","177422","2020-10-21","18:00:00",""
"4031820","7.2","0.003","8.974","0.004","17.429","0.007","81.59","0.011","82.046","0.012","77.789","0.011","1082.1","0.8","200","2","200","2","","","","","","","","5","P -1","-P 1","2","6b in manuscript","","","- C40 H48 Br4 N4 Si2 -","- C40 H48 Br4 N4 Si2 -","- C40 H48 Br4 N4 Si2 -","1","0.5","","Engelhart, Jens U.; Paulus, Fabian; Schaffroth, Manuel; Vasilenko, Vladislav; Tverskoy, Olena; Rominger, Frank; Bunz, Uwe H. F.","Halogenated Symmetrical Tetraazapentacenes: Synthesis, Structures, and Properties.","The Journal of organic chemistry","2016","81","3","1198","1205","10.1021/acs.joc.5b02731","","","0.71073","MoKα","","0.2023","0.1212","","","0.2871","0.3298","","","","","","1.11","","","","has coordinates,has disorder","177422","2020-10-21","18:00:00",""
"4031821","8.777","0.002","8.817","0.002","29.942","0.007","88.066","0.006","87.812","0.006","76.754","0.006","2253.1","0.9","200","2","200","2","","","","","","","","5","P -1","-P 1","2","10 in manuscript","","","- C41 H49 Cl7 N4 Si2 -","- C41 H49 Cl7 N4 Si2 -","- C82 H98 Cl14 N8 Si4 -","2","1","","Engelhart, Jens U.; Paulus, Fabian; Schaffroth, Manuel; Vasilenko, Vladislav; Tverskoy, Olena; Rominger, Frank; Bunz, Uwe H. F.","Halogenated Symmetrical Tetraazapentacenes: Synthesis, Structures, and Properties.","The Journal of organic chemistry","2016","81","3","1198","1205","10.1021/acs.joc.5b02731","","","0.71073","MoKα","","0.1399","0.0805","","","0.1482","0.1765","","","","","","1.073","","","","has coordinates,has disorder","177422","2020-10-21","18:00:00",""
"4031822","8.6568","0.001","14.0971","0.0017","17.111","0.002","77.906","0.003","85.32","0.003","87.277","0.004","2034","0.4","200","2","200","2","","","","","","","","5","P -1","-P 1","2","11 in manuscript","","","- C40 H46 Cl4 N4 Si2 -","- C40 H46 Cl4 N4 Si2 -","- C80 H92 Cl8 N8 Si4 -","2","1","","Engelhart, Jens U.; Paulus, Fabian; Schaffroth, Manuel; Vasilenko, Vladislav; Tverskoy, Olena; Rominger, Frank; Bunz, Uwe H. F.","Halogenated Symmetrical Tetraazapentacenes: Synthesis, Structures, and Properties.","The Journal of organic chemistry","2016","81","3","1198","1205","10.1021/acs.joc.5b02731","","","0.71073","MoKα","","0.0934","0.0538","","","0.1145","0.1302","","","","","","1.047","","","","has coordinates","177422","2020-10-21","18:00:00",""
"4031823","10.2142","0.0004","10.2142","0.0004","17.8299","0.0007","90","","90","","120","","1610.97","0.11","293","","293","","","","","","","","","3","P 32","P 32","145","","","","- C26 H22 O5 -","- C26 H22 O5 -","- C78 H66 O15 -","3","1","","Yuan, Xiao; Lin, Lili; Chen, Weiliang; Wu, Wangbin; Liu, Xiaohua; Feng, Xiaoming","Synthesis of Chiral Tetrahydrofurans via Catalytic Asymmetric [3 + 2] Cycloaddition of Heterosubstituted Alkenes with Oxiranes.","The Journal of organic chemistry","2016","81","3","1237","1243","10.1021/acs.joc.5b02524","","x-ray","1.54184","CuKα","","0.075","0.0738","","","0.1613","0.1637","","","","","","1.095","","","","has coordinates","177418","2020-10-21","18:00:00",""
"4031824","12.6738","0.0003","19.3375","0.0005","20.0114","0.0007","88.963","0.002","72.912","0.001","75.267","0.001","4525.2","0.2","150","","150.15","","","","","","","","","4","P -1","-P 1","2","","","","- C91 H104 N34 O11 -","- C91 H104 N34 O11 -","- C182 H208 N68 O22 -","2","1","","Helzy, Fatima; Maris, Thierry; Wuest, James D.","Engineering Hydrogen-Bonded Hexagonal Networks Built from Flexible 1,3,5-Trisubstituted Derivatives of Benzene.","The Journal of organic chemistry","2016","81","8","3076","3086","10.1021/acs.joc.5b02552","","","1.54178","CuKα","","0.0516","0.0478","","","0.1365","0.1409","","","","","","1.023","","","","has coordinates,has disorder","182506","2020-10-21","18:00:00",""
"4031825","28.7618","0.0017","11.6367","0.0007","35.138","0.002","90","","90","","90","","11760.4","1.2","100","","100","","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C39 H39 N15 O3 -","- C39 H39 N15 O3 -","- C312 H312 N120 O24 -","8","2","","Helzy, Fatima; Maris, Thierry; Wuest, James D.","Engineering Hydrogen-Bonded Hexagonal Networks Built from Flexible 1,3,5-Trisubstituted Derivatives of Benzene.","The Journal of organic chemistry","2016","81","8","3076","3086","10.1021/acs.joc.5b02552","","","1.54178","CuKα","","0.091","0.0645","","","0.1888","0.2146","","","","","","1.024","","","","has coordinates","182506","2020-10-21","18:00:00",""
"4031826","12.4986","0.0009","14.7043","0.001","20.3073","0.0013","70.131","0.004","74.396","0.004","72.114","0.004","3283.4","0.4","100","","100","","","","","","","","","4","P -1","-P 1","2","","","","- C42 H45 N15 O3 -","- C42 H45 N15 O3 -","- C84 H90 N30 O6 -","2","1","","Helzy, Fatima; Maris, Thierry; Wuest, James D.","Engineering Hydrogen-Bonded Hexagonal Networks Built from Flexible 1,3,5-Trisubstituted Derivatives of Benzene.","The Journal of organic chemistry","2016","81","8","3076","3086","10.1021/acs.joc.5b02552","","","1.54178","CuKα","","0.1307","0.0778","","","0.2234","0.2629","","","","","","0.993","","","","has coordinates","182506","2020-10-21","18:00:00",""
"4031827","29.665","0.006","9.049","0.002","31.666","0.006","90","","99.09","0.006","90","","8394","3","100","","100","","","","","","","","Synthesized by the authors. See text","4","P 1 21/n 1","-P 2yn","14","","","","- C42 H45 N15 O3 -","- C42 H45 N15 O3 -","- C168 H180 N60 O12 -","4","1","","Helzy, Fatima; Maris, Thierry; Wuest, James D.","Engineering Hydrogen-Bonded Hexagonal Networks Built from Flexible 1,3,5-Trisubstituted Derivatives of Benzene.","The Journal of organic chemistry","2016","81","8","3076","3086","10.1021/acs.joc.5b02552","","","1.54178","CuKα","","0.1538","0.0604","","","0.0947","0.1048","","","","","","0.989","","","","has coordinates","182506","2020-10-21","18:00:00",""
"4031828","10.0416","0.0005","12.3341","0.0006","14.3639","0.0007","99.687","0.003","97.512","0.003","104.946","0.003","1665.77","0.15","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C38 H30 Br N3 O S2 -","- C38 H30 Br N3 O S2 -","- C76 H60 Br2 N6 O2 S4 -","2","1","","Bodedla, Govardhana Babu; Justin Thomas, K. R.; Fan, Miao-Syuan; Ho, Kuo-Chuan","Benzimidazole-Branched Isomeric Dyes: Effect of Molecular Constitution on Photophysical, Electrochemical, and Photovoltaic Properties.","The Journal of organic chemistry","2016","81","2","640","653","10.1021/acs.joc.5b02590","","","0.71073","MoKα","","0.2493","0.0534","","","0.1326","0.2249","","","","","","0.877","","","","has coordinates","175694","2020-10-21","18:00:00",""
"4031829","7.123","0.002","10.302","0.003","17.193","0.005","88.54","0.004","79.136","0.003","76.363","0.004","1203.9","0.6","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","4,7-bis(5-(trimethylsilyl)thiophen-2-yl)-5,6-diycanobenzo[c][1,2,5]thiadiazole","","- C22 H22 N4 S3 Si2 -","- C22 H22 N4 S3 Si2 -","- C44 H44 N8 S6 Si4 -","2","1","","Zhang, Junxiang; Parker, Timothy C.; Chen, Wayne; Williams, LaRita; Khrustalev, Victor N.; Jucov, Evgheni V.; Barlow, Stephen; Timofeeva, Tatiana V.; Marder, Seth R.","C-H-Activated Direct Arylation of Strong Benzothiadiazole and Quinoxaline-Based Electron Acceptors.","The Journal of organic chemistry","2016","81","2","360","370","10.1021/acs.joc.5b02551","","","0.71073","MoKα","","0.0693","0.0618","","","0.1744","0.1783","","","","","","1.015","","","","has coordinates","175695","2020-10-21","18:00:00",""
"4031830","20.099","0.006","11.717","0.004","7.027","0.002","90","","90","","90","","1654.9","0.9","100","2","100","2","","","","","","","","4","P m n 21","P 2ac -2","31","","4,7-bis(5-methylthiophen-2-yl)-5,6-diycanobenzo[c][1,2,5]thiadiazole","","- C18 H10 N4 S3 -","- C18 H10 N4 S3 -","- C72 H40 N16 S12 -","4","1","","Zhang, Junxiang; Parker, Timothy C.; Chen, Wayne; Williams, LaRita; Khrustalev, Victor N.; Jucov, Evgheni V.; Barlow, Stephen; Timofeeva, Tatiana V.; Marder, Seth R.","C-H-Activated Direct Arylation of Strong Benzothiadiazole and Quinoxaline-Based Electron Acceptors.","The Journal of organic chemistry","2016","81","2","360","370","10.1021/acs.joc.5b02551","","","0.71073","MoKα","","0.0379","0.0318","","","0.0763","0.0791","","","","","","1.053","","","","has coordinates","175695","2020-10-21","18:00:00",""
"4031831","30.3461","0.0012","5.8463","0.0002","34.0783","0.0013","90","","96.57","0.0019","90","","6006.2","0.4","100","2","100","2","","","","","","","","7","P 1 21 1","P 2yb","4","","(S)-3-((2R,5S)-2-((S)-(4-bromophenyl)((4-iodophenyl)amino)methyl) -5-(4-fluorophenyl)-5-hydroxypentanoyl)-4-phenyloxazolidin-2-one","","- C33 H29 Br F I N2 O4 -","- C33 H29 Br F I N2 O4 -","- C264 H232 Br8 F8 I8 N16 O32 -","8","4","","Limanto, John; Yoshikawa, Naoki; Reamer, Robert A.; Tan, Lushi; Brunskill, Andrew; Reibarkh, Mikhail","Promotion of a Ti-Mediated Mannich Reaction by a Proton Source.","The Journal of organic chemistry","2016","81","2","723","728","10.1021/acs.joc.5b02452","","","1.54178","CuKα","","0.0489","0.0446","","","0.0988","0.1014","","","","","","1.056","","","","has coordinates,has disorder","175696","2020-10-21","18:00:00",""
"4031832","5.7152","0.0003","15.4683","0.0007","22.7213","0.001","81.5151","0.0014","89.504","0.0016","89.5445","0.0014","1986.56","0.16","100","2","100","2","","","","","","","","7","P 1","P 1","1","","(S)-3-((2R,5S)-5-(4-fluorophenyl)-2-((S)-((4-iodophenyl)amino) (4-((trimethylsilyl)oxy) phenyl)methyl)-5-((trimethylsilyl)oxy) pentanoyl)-4-phenyloxazolidin-2-one","","- C39 H46 F I N2 O5 Si2 -","- C39 H46 F I N2 O5 Si2 -","- C78 H92 F2 I2 N4 O10 Si4 -","2","2","","Limanto, John; Yoshikawa, Naoki; Reamer, Robert A.; Tan, Lushi; Brunskill, Andrew; Reibarkh, Mikhail","Promotion of a Ti-Mediated Mannich Reaction by a Proton Source.","The Journal of organic chemistry","2016","81","2","723","728","10.1021/acs.joc.5b02452","","","1.54178","CuKα","","0.0571","0.0564","","","0.1474","0.1481","","","","","","1.047","","","","has coordinates,has disorder","175697","2020-10-21","18:00:00",""
"4031833","5.4629","0.0005","48.1","0.004","10.9336","0.001","90","","97.337","0.002","90","","2849.4","0.4","200","2","200","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C34 H28 O9 -","- C34 H28 O9 -","- C136 H112 O36 -","4","2","","Lu, Tai-Ni; Chang, Che-Chien","Synthesis of 3-Deoxy-l-ketohexoses through Group Transfer.","The Journal of organic chemistry","2016","81","2","469","475","10.1021/acs.joc.5b02257","","","0.71073","MoKα","","0.0448","0.0358","","","0.0722","0.0779","","","","","","1.019","","","","has coordinates","175698","2020-10-21","18:00:00",""
"4031834","6.5358","0.0002","15.1093","0.0004","11.5347","0.0004","90","","90.698","0.002","90","","1138.98","0.06","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C13 H11 N3 O2 -","- C13 H11 N3 O2 -","- C52 H44 N12 O8 -","4","1","","Han, Su Jin; Kim, Hyun Tae; Joo, Jung Min","Direct C-H Alkenylation of Functionalized Pyrazoles.","The Journal of organic chemistry","2016","81","2","689","698","10.1021/acs.joc.5b02398","","","0.71073","MoKα","","0.0579","0.0453","","","0.1033","0.1116","","","","","","1.052","","","","has coordinates","175699","2020-10-21","18:00:00",""
"4031835","6.8771","0.0001","12.2722","0.0002","15.4408","0.0003","73.338","0.001","84.595","0.001","83.906","0.001","1238.61","0.04","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C14 H13 N3 O2 -","- C14 H13 N3 O2 -","- C56 H52 N12 O8 -","4","2","","Han, Su Jin; Kim, Hyun Tae; Joo, Jung Min","Direct C-H Alkenylation of Functionalized Pyrazoles.","The Journal of organic chemistry","2016","81","2","689","698","10.1021/acs.joc.5b02398","","","0.71073","MoKα","","0.0482","0.0431","","","0.1096","0.1144","","","","","","1.055","","","","has coordinates","175700","2020-10-21","18:00:00",""
"4031836","31.426","0.003","13.9013","0.0012","21.3552","0.0017","90","","105.307","0.002","90","","8998.3","1.4","293","2","293","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C48 H51 O10 -","- C48 H52 O10 -","- C384 H416 O80 -","8","1","","Li, Xia; Han, Jianguang; Jones, Alexander X.; Lei, Xiaoguang","Chiral Boron Complex-Promoted Asymmetric Diels-Alder Cycloaddition and Its Application in Natural Product Synthesis.","The Journal of organic chemistry","2016","81","2","458","468","10.1021/acs.joc.5b02248","","","0.71073","MOKα","","0.1284","0.0603","","","0.1311","0.1434","","","","","","1.019","","","","has coordinates","175701","2020-10-21","18:00:00",""
"4031837","13.2491","0.0008","13.2491","0.0008","16.54","0.003","90","","90","","90","","2903.4","0.6","120","","120","","","","","","","","","3","P -4 21 c","P -4 2n","114","","","","- C24 F16 S8 -","- C24 F16 S8 -","- C96 F64 S32 -","4","0.5","","Skowron, Pierre-Thomas; Dumartin, Melissa; Jeamet, Emeric; Perret, Florent; Gourlaouen, Christophe; Baudouin, Anne; Fenet, Bernard; Naubron, Jean-Valère; Fotiadu, Frédéric; Vial, Laurent; Leclaire, Julien","On-Demand Cyclophanes: Substituent-Directed Self-Assembling, Folding, and Binding.","The Journal of organic chemistry","2016","81","2","654","661","10.1021/acs.joc.5b02605","","x-ray","1.54184","CuKα","","0.0718","0.0637","","0.139","0.1242","0.139","","","","","","1.0281","","","","has coordinates","175702","2020-10-21","18:00:00",""
"4031838","15.219","0.008","26.621","0.013","18.6197","0.001","90","","98.516","0.009","90","","7461","5","93","","93","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C68 H93 B5 Cl4 O10 -","- C68 H93 B5 Cl4 O10 -","- C272 H372 B20 Cl16 O40 -","4","1","","Ikemoto, Koki; Yoshii, Asami; Izumi, Tomoo; Taka, Hideo; Kita, Hiroshi; Xue, Jing Yang; Kobayashi, Ryo; Sato, Sota; Isobe, Hiroyuki","Modular Synthesis of Aromatic Hydrocarbon Macrocycles for Simplified, Single-Layer Organic Light-Emitting Devices.","The Journal of organic chemistry","2016","81","2","662","666","10.1021/acs.joc.5b02620","","","1.54187","CuKα","","0.2738","0.1669","","","0.421","0.4675","","","","","","1.273","","","","has coordinates,has disorder","175703","2020-10-21","18:00:00",""
"4031839","16.328","0.005","17.144","0.004","18.08","0.006","90","","115.848","0.009","90","","4555","2","93","","93","","","","","","","","","2","P 1 21/n 1","-P 2yn","14","","","","- C65 H50 -","- C65 H50 -","- C260 H200 -","4","1","","Ikemoto, Koki; Yoshii, Asami; Izumi, Tomoo; Taka, Hideo; Kita, Hiroshi; Xue, Jing Yang; Kobayashi, Ryo; Sato, Sota; Isobe, Hiroyuki","Modular Synthesis of Aromatic Hydrocarbon Macrocycles for Simplified, Single-Layer Organic Light-Emitting Devices.","The Journal of organic chemistry","2016","81","2","662","666","10.1021/acs.joc.5b02620","","","1.54187","CuKα","","0.0612","0.0457","","","0.1216","0.1328","","","","","","1.027","","","","has coordinates","175703","2020-10-21","18:00:00",""
"4031840","48.644","0.006","13.8778","0.001","32.023","0.003","90","","90","","90","","21618","4","93","","93","","","","","","","","","4","P c c n","-P 2ab 2ac","56","","","","- C141.75 H124.5 Cl2.5 O0.5 -","- C141.75 H124.5 Cl2.5 O0.5001 -","- C1134 H996 Cl20 O4.0008 -","8","1","","Ikemoto, Koki; Yoshii, Asami; Izumi, Tomoo; Taka, Hideo; Kita, Hiroshi; Xue, Jing Yang; Kobayashi, Ryo; Sato, Sota; Isobe, Hiroyuki","Modular Synthesis of Aromatic Hydrocarbon Macrocycles for Simplified, Single-Layer Organic Light-Emitting Devices.","The Journal of organic chemistry","2016","81","2","662","666","10.1021/acs.joc.5b02620","","","1.54187","CuKα","","0.0539","0.0513","","","0.1234","0.1246","","","","","","1.16","","","","has coordinates,has disorder","175703","2020-10-21","18:00:00",""
"4031841","14.1754","0.0002","14.9606","0.0009","16.7799","0.0009","82.903","0.014","68.783","0.009","69.216","0.009","3101.4","0.4","93","","93","","","","","","","","","3","P -1","-P 1","2","","","","- C79.41 H61.41 Cl4.22 -","- C79.414 H61.414 Cl4.221 -","- C158.828 H122.828 Cl8.442 -","2","1","","Ikemoto, Koki; Yoshii, Asami; Izumi, Tomoo; Taka, Hideo; Kita, Hiroshi; Xue, Jing Yang; Kobayashi, Ryo; Sato, Sota; Isobe, Hiroyuki","Modular Synthesis of Aromatic Hydrocarbon Macrocycles for Simplified, Single-Layer Organic Light-Emitting Devices.","The Journal of organic chemistry","2016","81","2","662","666","10.1021/acs.joc.5b02620","","","1.54187","CuKα","","0.0863","0.065","","","0.1958","0.2064","","","","","","1.026","","","","has coordinates,has disorder","175703","2020-10-21","18:00:00",""
"4031842","64.223","0.019","7.8923","0.0019","32.435","0.01","90","","117.265","0.007","90","","14614","7","93","","93","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C86.5 H74.5 Cl7.5 -","- C86.5 H74.5 Cl7.5 -","- C692 H596 Cl60 -","8","1","","Ikemoto, Koki; Yoshii, Asami; Izumi, Tomoo; Taka, Hideo; Kita, Hiroshi; Xue, Jing Yang; Kobayashi, Ryo; Sato, Sota; Isobe, Hiroyuki","Modular Synthesis of Aromatic Hydrocarbon Macrocycles for Simplified, Single-Layer Organic Light-Emitting Devices.","The Journal of organic chemistry","2016","81","2","662","666","10.1021/acs.joc.5b02620","","","1.54187","CuKα","","0.1236","0.082","","","0.2273","0.2668","","","","","","0.969","","","","has coordinates,has disorder","175703","2020-10-21","18:00:00",""
"4031843","15.6972","0.0004","37.1771","0.0011","12.9487","0.0004","90","","90","","90","","7556.6","0.4","123","","123","","","","","","","","","4","F d d 2","F 2 -2d","43","","","","- C50 H42 N2 O4 -","- C50 H42 N2 O4 -","- C400 H336 N16 O32 -","8","0.5","","Schmidt, Hauke C.; Spulber, Mariana; Neuburger, Markus; Palivan, Cornelia G.; Meuwly, Markus; Wenger, Oliver S.","Charge Transfer Pathways in Three Isomers of Naphthalene-Bridged Organic Mixed Valence Compounds.","The Journal of organic chemistry","2016","81","2","595","602","10.1021/acs.joc.5b02427","","","1.54178","CuKα","","0.0238","0.0237","","0.026","0.0259","0.0259","","","","","","1.1238","","","","has coordinates","175704","2020-10-21","18:00:00",""
"4031844","5.7685","0.0003","7.7643","0.0005","42.4758","0.0018","90","","91.849","0.007","90","","1901.43","0.18","93","","93","","","","","","","","","6","P 1 n 1","P -2yac","7","","","","- C23 H12 F3 N O2 S2 -","- C23 H12 F3 N O2 S2 -","- C92 H48 F12 N4 O8 S8 -","4","2","","Nishida, Jun-Ichi; Ohura, Hokuto; Kita, Yasuyuki; Hasegawa, Hiroyuki; Kawase, Takeshi; Takada, Noriyuki; Sato, Hiroyasu; Sei, Yoshihisa; Yamashita, Yoshiro","Phthalimide Compounds Containing a Trifluoromethylphenyl Group and Electron-Donating Aryl Groups: Color-Tuning and Enhancement of Triboluminescence.","The Journal of organic chemistry","2016","81","2","433","441","10.1021/acs.joc.5b02191","","","1.54187","CuKα","","","0.0417","","","","0.1031","","","","","","0.979","","","","has coordinates,has disorder","175705","2020-10-21","18:00:00",""
"4031845","5.90211","0.00011","7.66146","0.00014","40.2458","0.0007","90","","93.335","0.007","90","","1816.78","0.06","93","","93","","","","","","","","","5","P 1 c 1","P -2yc","7","","","","- C25 H14 F3 N O2 -","- C25 H14 F3 N O2 -","- C100 H56 F12 N4 O8 -","4","2","","Nishida, Jun-Ichi; Ohura, Hokuto; Kita, Yasuyuki; Hasegawa, Hiroyuki; Kawase, Takeshi; Takada, Noriyuki; Sato, Hiroyasu; Sei, Yoshihisa; Yamashita, Yoshiro","Phthalimide Compounds Containing a Trifluoromethylphenyl Group and Electron-Donating Aryl Groups: Color-Tuning and Enhancement of Triboluminescence.","The Journal of organic chemistry","2016","81","2","433","441","10.1021/acs.joc.5b02191","","","1.54187","CuKα","","0.0429","0.0404","","","0.1147","0.1162","","","","","","1.089","","","","has coordinates","175706","2020-10-21","18:00:00",""
"4031846","11.0496","0.0004","7.8673","0.0002","13.8104","0.0005","90","","103.673","0.004","90","","1166.52","0.07","100.05","0.1","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C8 H12 Cl N3 S3 -","- C8 H12 Cl N3 S3 -","- C32 H48 Cl4 N12 S12 -","4","1","","Koyioni, Maria; Manoli, Maria; Koutentis, Panayiotis A.","The Reaction of DABCO with 4-Chloro-5H-1,2,3-dithiazoles: Synthesis and Chemistry of 4-[N-(2-Chloroethyl)piperazin-1-yl]-5H-1,2,3-dithiazoles.","The Journal of organic chemistry","2016","81","2","615","631","10.1021/acs.joc.5b02497","","","1.54184","CuKα","","0.0351","0.0348","","","0.0985","0.0987","","","","","","1.092","","","","has coordinates","175707","2020-10-21","18:00:00",""
"4031847","8.7052","0.0001","12.2035","0.0002","16.0777","0.0004","75.2788","0.0007","88.3395","0.0007","83.2541","0.0012","1640.49","0.05","183","","183","2","","","","","","","Local laboratory","6","P -1","-P 1","2","","","","- C33 H31 Br I N3 O8 -","- C33 H31 Br I N3 O8 -","- C66 H62 Br2 I2 N6 O16 -","2","1","","Sokolovs, Igors; Suna, Edgars","Para-Selective Cu-Catalyzed C-H Aryloxylation of Electron-Rich Arenes and Heteroarenes.","The Journal of organic chemistry","2016","81","2","371","379","10.1021/acs.joc.5b02728","","","0.71073","MoKα","","0.043","0.034","","0.068","0.066","0.066","","","1.037","1.009","1.009","1.006","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4031848","7.6059","0.0018","8.2702","0.0018","13.411","0.003","92.066","0.002","102.639","0.005","101.285","0.004","804.5","0.3","113","2","113","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H14 N4 O2 S -","- C18 H14 N4 O2 S -","- C36 H28 N8 O4 S2 -","2","1","","Xie, Wucheng; Li, Bin; Wang, Baiquan","Rh(III)-Catalyzed C7-Thiolation and Selenation of Indolines.","The Journal of organic chemistry","2016","81","2","396","403","10.1021/acs.joc.5b01943","","","0.71073","MoKα","","0.0331","0.0305","","","0.0826","0.084","","","","","","1.058","","","","has coordinates","175709","2020-10-21","18:00:00",""
"4031849","13.406","0.003","11.18","0.003","11.221","0.003","90","","95.914","0.004","90","","1672.8","0.7","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C21 H19 N O2 -","- C21 H19 N O2 -","- C84 H76 N4 O8 -","4","1","","Wang, Xing; Chen, Rui-Xi; Wei, Zeng-Feng; Zhang, Chen-Yang; Tu, Hai-Yang; Zhang, Ai-Dong","Chemoselective Transformation of Diarylethanones to Arylmethanoic Acids and Diarylmethanones and Mechanistic Insights.","The Journal of organic chemistry","2016","81","1","238","249","10.1021/acs.joc.5b02506","","","0.71073","MoKα","","0.085","0.046","","","0.1328","0.168","","","","","","1.029","","","","has coordinates","175710","2020-10-21","18:00:00",""
"4031850","6.315","0.003","11.949","0.006","12.068","0.006","63.09","0.005","87.201","0.006","79.911","0.005","799","0.7","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","","","- C21 H14 N2 S -","- C21 H14 N2 S -","- C42 H28 N4 S2 -","2","1","","Sun, Zuo-Bang; Guo, Man; Zhao, Cui-Hua","Synthesis and Properties of Benzothieno[b]-Fused BODIPY Dyes.","The Journal of organic chemistry","2016","81","1","229","237","10.1021/acs.joc.5b02531","","","0.71","MoKα","","0.0898","0.0488","","","0.124","0.1466","","","","","","0.964","","","","has coordinates","175711","2020-10-21","18:00:00",""
"4031851","11.103","0.007","11.545","0.007","18.556","0.012","90","","98.521","0.005","90","","2352","3","293","2","293","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C28 H19 B F2 N2 O S2 -","- C28 H19 B F2 N2 O S2 -","- C112 H76 B4 F8 N8 O4 S8 -","4","1","","Sun, Zuo-Bang; Guo, Man; Zhao, Cui-Hua","Synthesis and Properties of Benzothieno[b]-Fused BODIPY Dyes.","The Journal of organic chemistry","2016","81","1","229","237","10.1021/acs.joc.5b02531","","","0.71","MoKα","","0.0762","0.0472","","","0.1232","0.1444","","","","","","1.044","","","","has coordinates","175712","2020-10-21","18:00:00",""
"4031852","11.015","0.01","19.543","0.017","11.98","0.01","90","","116.043","0.01","90","","2317","4","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H21 N2 O S2 -","- C28 H20 N2 O S2 -","- C112 H80 N8 O4 S8 -","4","1","","Sun, Zuo-Bang; Guo, Man; Zhao, Cui-Hua","Synthesis and Properties of Benzothieno[b]-Fused BODIPY Dyes.","The Journal of organic chemistry","2016","81","1","229","237","10.1021/acs.joc.5b02531","","","0.71","MoKα","","0.183","0.0587","","","0.1185","0.1651","","","","","","0.964","","","","has coordinates","175714","2020-10-21","18:00:00",""
"4031853","8.043","0.009","10.839","0.012","11.074","0.012","110.676","0.01","107.928","0.011","90.914","0.012","850.9","1.6","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C21 H13 B F2 N2 S -","- C21 H13 B F2 N2 S -","- C42 H26 B2 F4 N4 S2 -","2","1","","Sun, Zuo-Bang; Guo, Man; Zhao, Cui-Hua","Synthesis and Properties of Benzothieno[b]-Fused BODIPY Dyes.","The Journal of organic chemistry","2016","81","1","229","237","10.1021/acs.joc.5b02531","","","0.71","MoKα","","0.0674","0.0509","","","0.134","0.1521","","","","","","1.117","","","","has coordinates","175716","2020-10-21","18:00:00",""
"4031854","10.2181","0.0008","6.8051","0.0006","33.7995","0.0019","90","0.006","91.074","0.005","90","0.006","2349.8","0.3","294.39","0.1","294.39","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C26 H28 O6 S -","- C26 H28 O6 S -","- C104 H112 O24 S4 -","4","1","","Zheng, Lan; Zhou, Zhao-Zhao; He, Yu-Tao; Li, Lian-Hua; Ma, Jun-Wei; Qiu, Yi-Feng; Zhou, Ping-Xin; Liu, Xue-Yuan; Xu, Peng-Fei; Liang, Yong-Min","Iodine-Promoted Radical Cyclization in Water: A Selective Reaction of 1,6-Enynes with Sulfonyl Hydrazides.","The Journal of organic chemistry","2016","81","1","66","76","10.1021/acs.joc.5b02161","","","0.71073","MoKα","","0.0622","0.0481","","","0.096","0.1045","","","","","","1.081","","","","has coordinates","175719","2020-10-21","18:00:00",""
"4031855","15.9991","0.0004","9.4815","0.0002","18.3873","0.0005","90","","95.082","0.003","90","","2778.31","0.12","293.64","0.1","293.64","0.1","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C27 H27 Cl I N O4 S2 -","- C27 H27 Cl I N O4 S2 -","- C108 H108 Cl4 I4 N4 O16 S8 -","4","1","","Zheng, Lan; Zhou, Zhao-Zhao; He, Yu-Tao; Li, Lian-Hua; Ma, Jun-Wei; Qiu, Yi-Feng; Zhou, Ping-Xin; Liu, Xue-Yuan; Xu, Peng-Fei; Liang, Yong-Min","Iodine-Promoted Radical Cyclization in Water: A Selective Reaction of 1,6-Enynes with Sulfonyl Hydrazides.","The Journal of organic chemistry","2016","81","1","66","76","10.1021/acs.joc.5b02161","","x-ray","0.71","MoKα","","0.0618","0.0415","","","0.0918","0.1059","","","","","","1.041","","","","has coordinates","175720","2020-10-21","18:00:00",""
"4031856","9.9158","0.0002","7.8871","0.0001","11.6418","0.0003","90","","112.716","0.003","90","","839.84","0.03","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C17 H17 N3 O2 S -","- C17 H17 N3 O2 S -","- C34 H34 N6 O4 S2 -","2","1","","Doherty, William; Evans, Paul","Aminooxylation Horner-Wadsworth-Emmons Sequence for the Synthesis of Enantioenriched γ-Functionalized Vinyl Sulfones.","The Journal of organic chemistry","2016","81","4","1416","1424","10.1021/acs.joc.5b02556","","","0.71073","MoKα","","0.0411","0.0368","","","0.0924","0.0963","","","","","","1.043","","","","has coordinates","177416","2020-10-21","18:00:00",""
"4031857","14.7728","0.0002","14.5583","0.0002","22.2237","0.0004","90","","95.257","0.002","90","","4759.48","0.13","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C26 H23 Cl N2 O6 -","- C26 H23 Cl N2 O6 -","- C208 H184 Cl8 N16 O48 -","8","2","","Xu, Gong; Lüthy, Monique; Habegger, Jacqueline; Renaud, Philippe","Homologation Strategy for the Generation of 1-Chloroalkyl Radicals from Organoboranes.","The Journal of organic chemistry","2016","81","4","1506","1519","10.1021/acs.joc.5b02610","","","0.71073","MoKα","","0.0605","0.0448","","","0.1025","0.1123","","","","","","1.015","","","","has coordinates","177417","2020-10-21","18:00:00",""
"4031858","8.14393","0.00011","8.45999","0.00013","16.946","0.0002","90","","90","","90","","1167.54","0.03","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C13 H13 Cl O2 -","- C13 H13 Cl O2 -","- C52 H52 Cl4 O8 -","4","1","","Xu, Gong; Lüthy, Monique; Habegger, Jacqueline; Renaud, Philippe","Homologation Strategy for the Generation of 1-Chloroalkyl Radicals from Organoboranes.","The Journal of organic chemistry","2016","81","4","1506","1519","10.1021/acs.joc.5b02610","","","0.71069","MoKα","","0.0302","0.0273","","","0.0584","0.0602","","","","","","1.139","","","","has coordinates","177417","2020-10-21","18:00:00",""
"4031859","13.2938","0.0005","8.6528","0.0003","11.2228","0.0003","90","","97.224","0.003","90","","1280.7","0.07","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14.06 H16 Cl0.12 O3 -","- C14.0605 H16 Cl0.12 O3 -","- C56.242 H64 Cl0.48 O12 -","4","1","","Xu, Gong; Lüthy, Monique; Habegger, Jacqueline; Renaud, Philippe","Homologation Strategy for the Generation of 1-Chloroalkyl Radicals from Organoboranes.","The Journal of organic chemistry","2016","81","4","1506","1519","10.1021/acs.joc.5b02610","","","0.71073","MoKα","","0.0576","0.0439","","","0.1032","0.1107","","","","","","1.072","","","","has coordinates,has disorder","177417","2020-10-21","18:00:00",""
"4031860","12.8994","0.0007","10.6296","0.0005","9.552","0.0005","90","","99.323","0.001","90","","1292.43","0.11","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H14 N2 O2 -","- C15 H14 N2 O2 -","- C60 H56 N8 O8 -","4","1","","Motiwala, Hashim F.; Charaschanya, Manwika; Day, Victor W.; Aubé, Jeffrey","Remodeling and Enhancing Schmidt Reaction Pathways in Hexafluoroisopropanol.","The Journal of organic chemistry","2016","81","4","1593","1609","10.1021/acs.joc.5b02764","","","1.54178","CuKα","","0.0576","0.0568","","","0.1351","0.1357","","","","","","1.092","","","","has coordinates,has disorder","177414","2020-10-21","18:00:00",""
"4031861","5.991","0.0006","28.946","0.003","7.1474","0.0007","90","","111.95","0.006","90","","1149.6","0.2","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C12 H15 N5 -","- C12 H15 N5 -","- C48 H60 N20 -","4","1","","Motiwala, Hashim F.; Charaschanya, Manwika; Day, Victor W.; Aubé, Jeffrey","Remodeling and Enhancing Schmidt Reaction Pathways in Hexafluoroisopropanol.","The Journal of organic chemistry","2016","81","4","1593","1609","10.1021/acs.joc.5b02764","","","1.54178","CuKα","","0.0697","0.0645","","","0.1895","0.1931","","","","","","1.12","","","","has coordinates,has disorder","177414","2020-10-21","18:00:00",""
"4031862","8.7921","0.0018","11.303","0.002","15.658","0.003","90","","90","","90","","1556","0.5","200","2","200","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H23 N O4 -","- C16 H23 N O4 -","- C64 H92 N4 O16 -","4","1","","Picado, Alfredo; Li, ShengJian; Dieter, R. Karl","A Serendipitous Synthesis of Bis-Heterocyclic Spiro 3(2H)-Furanones.","The Journal of organic chemistry","2016","81","4","1391","1400","10.1021/acs.joc.5b02350","","","0.71073","MoKα","","0.0604","0.0523","","","0.1311","0.14","","","","","","1.046","","","","has coordinates","177415","2020-10-21","18:00:00",""
"4031863","10.49","0.002","14.202","0.003","20.974","0.004","90","","103.52","0.03","90","","3038.1","1.1","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H19 N O4 -","- C16 H19 N O4 -","- C128 H152 N8 O32 -","8","2","","Picado, Alfredo; Li, ShengJian; Dieter, R. Karl","A Serendipitous Synthesis of Bis-Heterocyclic Spiro 3(2H)-Furanones.","The Journal of organic chemistry","2016","81","4","1391","1400","10.1021/acs.joc.5b02350","","","0.71073","MoKα","","0.092","0.0648","","","0.1348","0.1516","","","","","","1.063","","","","has coordinates","177415","2020-10-21","18:00:00",""
"4031864","7.0792","0.0014","10.326","0.002","14.979","0.003","90","","90","","90","","1095","0.4","200","2","200","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C11 H10 O2 S2 -","- C11 H10 O2 S2 -","- C44 H40 O8 S8 -","4","1","","Picado, Alfredo; Li, ShengJian; Dieter, R. Karl","A Serendipitous Synthesis of Bis-Heterocyclic Spiro 3(2H)-Furanones.","The Journal of organic chemistry","2016","81","4","1391","1400","10.1021/acs.joc.5b02350","","","0.71073","MoKα","","0.0304","0.0292","","","0.0767","0.0777","","","","","","1.129","","","","has coordinates","177415","2020-10-21","18:00:00",""
"4031865","11.059","0.002","11.569","0.002","17.329","0.004","90","","90","","90","","2217.1","0.8","200","2","200","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C11 H14 O2 S2 -","- C11 H14 O2 S2 -","- C88 H112 O16 S16 -","8","1","","Picado, Alfredo; Li, ShengJian; Dieter, R. Karl","A Serendipitous Synthesis of Bis-Heterocyclic Spiro 3(2H)-Furanones.","The Journal of organic chemistry","2016","81","4","1391","1400","10.1021/acs.joc.5b02350","","","0.71073","MoKα","","0.0535","0.0465","","","0.1063","0.1148","","","","","","1.105","","","","has coordinates","177415","2020-10-21","18:00:00",""
"4031866","9.38","0.004","9.756","0.004","10.518","0.005","94.969","0.006","90.378","0.006","103.743","0.006","931.1","0.7","100","2","100","2","","","","","","","","5","P 1","P 1","1","","","","- C17 H19 Br N2 O6 -","- C17 H19 Br N2 O6 -","- C34 H38 Br2 N4 O12 -","2","2","","Zhang, Ming-Liang; Yue, Deng-Feng; Wang, Zhen-Hua; Luo, Yuan; Xu, Xiao-Ying; Zhang, Xiao-Mei; Yuan, Wei-Cheng","Organocatalytic asymmetric Henry reaction of 1H-pyrrole-2,3-diones with bifunctional amine-thiourea catalysts bearing multiple hydrogen-bond donors.","Beilstein journal of organic chemistry","2016","12","","295","300","10.3762/bjoc.12.31","","","0.71073","MoKα","","0.1035","0.0742","","","0.187","0.2053","","","","","","1.004","","","","has coordinates","181462","2020-10-21","18:00:00",""
"4031867","26.355","0.005","5.4089","0.0003","14.346","0.003","90","","136.39","0.04","90","","1410.6","1.1","298","2","298","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C28 H34 N6 O4 -","- C28 H34 N6 O4 -","- C56 H68 N12 O8 -","2","0.5","","Ramachary, Dhevalapally B.; Shruthi, Kodambahalli S.","A Brønsted Acid-Amino Acid as a Synergistic Catalyst for Asymmetric List-Lerner-Barbas Aldol Reactions.","The Journal of organic chemistry","2016","81","6","2405","2419","10.1021/acs.joc.5b02896","","","1.54184","CuKα","","0.0343","0.0338","","","0.0904","0.0917","","","","","","1.057","","","","has coordinates","181439","2020-10-21","18:00:00",""
"4031868","4.9375","0.0005","13.7996","0.0013","10.2372","0.0009","90","","99.431","0.01","90","","688.09","0.11","298","2","298","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C13 H14 Cl N3 O2 -","- C13 H14 Cl N3 O2 -","- C26 H28 Cl2 N6 O4 -","2","1","","Ramachary, Dhevalapally B.; Shruthi, Kodambahalli S.","A Brønsted Acid-Amino Acid as a Synergistic Catalyst for Asymmetric List-Lerner-Barbas Aldol Reactions.","The Journal of organic chemistry","2016","81","6","2405","2419","10.1021/acs.joc.5b02896","","","1.54184","CuKα","","0.0654","0.0622","","","0.1719","0.1803","","","","","","1.08","","","","has coordinates","181439","2020-10-21","18:00:00",""
"4031869","7.9139","0.0005","8.2369","0.0005","11.5044","0.0008","76.314","0.006","85.795","0.006","62.838","0.006","647.76","0.08","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C16 H13 N O2 -","- C16 H13 N O2 -","- C32 H26 N2 O4 -","2","1","","Pan, Shanfei; Wu, Feifei; Yu, Ruicheng; Chen, Wanzhi","Palladium-Catalyzed Sequential Acylation/Cyanation of Aryl Iodides: A Regiospecific Synthesis of 2-Cyanoaryl Ketones.","The Journal of organic chemistry","2016","81","4","1558","1564","10.1021/acs.joc.5b02710","","","0.71073","MoKα","","0.0648","0.0448","","","0.1047","0.1239","","","","","","1.031","","","","has coordinates","177217","2020-10-21","18:00:00",""
"4031870","8.2207","0.0006","13.3837","0.001","17.1443","0.0013","90","","90","","90","","1886.3","0.2","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C30.67 H21.33 N2.67 O5.33 -","- C30.6667 H21.3333 N2.66667 O5.33333 -","- C92 H64 N8 O16 -","3","0.75","","Devi, Rajkumari Vijilata; Garande, Ashok M.; Maity, Dilip K.; Bhate, Prakash M.","A Serendipitous Synthesis of 11a-Hydroxy-11,11a-dihydrobenzo[e]indeno[2,1-b][1,4]diazepine-10,12-dione Derivatives by Condensation of 2-Aminobenzamides with Ninhydrin in Water.","The Journal of organic chemistry","2016","81","4","1689","1695","10.1021/acs.joc.5b02327","","","0.71073","MoKα","","0.0318","0.0312","","","0.0816","0.0821","","","","","","1.045","","","","has coordinates","177218","2020-10-21","18:00:00",""
"4031871","5.0458","0.0008","19.062","0.003","12.879","0.002","90","","98.003","0.003","90","","1226.7","0.3","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H10 N2 O3 -","- C16 H10 N2 O3 -","- C64 H40 N8 O12 -","4","1","","Devi, Rajkumari Vijilata; Garande, Ashok M.; Maity, Dilip K.; Bhate, Prakash M.","A Serendipitous Synthesis of 11a-Hydroxy-11,11a-dihydrobenzo[e]indeno[2,1-b][1,4]diazepine-10,12-dione Derivatives by Condensation of 2-Aminobenzamides with Ninhydrin in Water.","The Journal of organic chemistry","2016","81","4","1689","1695","10.1021/acs.joc.5b02327","","","0.71073","MoKα","","0.1192","0.0899","","","0.1607","0.1714","","","","","","1.23","","","","has coordinates","177219","2020-10-21","18:00:00",""
"4031872","8.2006","0.0016","16.758","0.003","11.927","0.002","90","","106.06","0.03","90","","1575.1","0.5","182","2","182","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C22 H17 N O -","- C22 H17 N O -","- C88 H68 N4 O4 -","4","2","","Zhang, Mingliang; Ruan, Wenqing; Zhang, Hui-Jun; Li, Weiwei; Wen, Ting-Bin","Synthesis of α-Aminonaphthalenes via Copper-Catalyzed Aminobenzannulation of (o-Alkynyl)arylketones with Amines.","The Journal of organic chemistry","2016","81","4","1696","1703","10.1021/acs.joc.5b02340","","","0.71073","MoKα","","0.1455","0.096","","","0.2345","0.3058","","","","","","0.984","","","","has coordinates","190287","2020-10-21","18:00:00",""
"4031873","4.961","","16.81","","21.337","","108.34","","96.71","","98.43","","1645.4","","183","","183","","","","","","","","","4","P -1","-P 1","2","","","","- C22 H16 Cl N -","- C22 H16 Cl N -","- C88 H64 Cl4 N4 -","4","2","","Zhang, Mingliang; Ruan, Wenqing; Zhang, Hui-Jun; Li, Weiwei; Wen, Ting-Bin","Synthesis of α-Aminonaphthalenes via Copper-Catalyzed Aminobenzannulation of (o-Alkynyl)arylketones with Amines.","The Journal of organic chemistry","2016","81","4","1696","1703","10.1021/acs.joc.5b02340","","","0.71073","MoKα","","0.0668","0.0429","","","0.1211","0.1572","","","","","","1.025","","","","has coordinates,has disorder","177221","2020-10-21","18:00:00",""
"4031874","9.223","0.0004","10.8655","0.0005","9.4767","0.0003","90","","115.29","0.002","90","","858.66","0.06","200","","200","","","","","","","","local","4","P 1 21 1","P 2yb","4","","","","- C19 H22 N2 O4 -","- C19 H22 N2 O4 -","- C38 H44 N4 O8 -","2","1","","Saglam, Mehmet F.; Alborzi, Ali R.; Payne, Alan D.; Willis, Anthony C.; Paddon-Row, Michael N; Sherburn, Michael S.","Synthesis and Diels-Alder Reactivity of Substituted [4]Dendralenes.","The Journal of organic chemistry","2016","81","4","1461","1475","10.1021/acs.joc.5b02583","","","0.71073","MoKα","","0.0438","0.0407","","0.1043","0.1028","0.1043","","","","","","1.0084","","","","has coordinates","177222","2020-10-21","18:00:00",""
"4031875","10.1654","0.0002","23.4039","0.0007","27.844","0.0007","90","","97.126","0.0015","90","","6573.2","0.3","150","","150","","","","","","","","local","4","P 1 21/n 1","-P 2yn","14","","","","- C24 H27 N3 O6 -","- C24 H27 N3 O6 -","- C288 H324 N36 O72 -","12","3","","Saglam, Mehmet F.; Alborzi, Ali R.; Payne, Alan D.; Willis, Anthony C.; Paddon-Row, Michael N; Sherburn, Michael S.","Synthesis and Diels-Alder Reactivity of Substituted [4]Dendralenes.","The Journal of organic chemistry","2016","81","4","1461","1475","10.1021/acs.joc.5b02583","","","0.71073","MoKα","","0.1416","0.0758","","0.1563","0.1311","0.1563","","","","","","1.0345","","","","has coordinates","177222","2020-10-21","18:00:00",""
"4031876","25.4459","0.0004","7.8587","0.0001","26.2588","0.0004","90","","93.53","0.0007","90","","5241.05","0.13","200","","200","","","","","","","","local","4","P 1 21/n 1","-P 2yn","14","","","","- C19 H22 N2 O4 -","- C19 H22 N2 O4 -","- C228 H264 N24 O48 -","12","3","","Saglam, Mehmet F.; Alborzi, Ali R.; Payne, Alan D.; Willis, Anthony C.; Paddon-Row, Michael N; Sherburn, Michael S.","Synthesis and Diels-Alder Reactivity of Substituted [4]Dendralenes.","The Journal of organic chemistry","2016","81","4","1461","1475","10.1021/acs.joc.5b02583","","","0.71073","MoKα","","0.091","0.0484","","0.12","0.1018","0.12","","","","","","0.9661","","","","has coordinates","177222","2020-10-21","18:00:00",""
"4031877","8.1469","0.0002","21.0989","0.0006","10.1495","0.0003","90","","91.2076","0.0017","90","","1744.22","0.08","200","","200","","","","","","","","local","4","P 1 21/a 1","-P 2yab","14","","","","- C19 H22 N2 O4 -","- C19 H22 N2 O4 -","- C76 H88 N8 O16 -","4","1","","Saglam, Mehmet F.; Alborzi, Ali R.; Payne, Alan D.; Willis, Anthony C.; Paddon-Row, Michael N; Sherburn, Michael S.","Synthesis and Diels-Alder Reactivity of Substituted [4]Dendralenes.","The Journal of organic chemistry","2016","81","4","1461","1475","10.1021/acs.joc.5b02583","","","0.71073","MoKα","","0.0889","0.0478","","0.1153","0.0988","0.1153","","","","","","0.9578","","","","has coordinates","177222","2020-10-21","18:00:00",""
"4031878","8.7713","0.0004","8.2519","0.0003","12.8289","0.0005","90","","104.428","0.0019","90","","899.27","0.06","200","","200","","","","","","","","local","4","P 1 21 1","P 2yb","4","","","","- C19 H22 N2 O4 -","- C19 H22 N2 O4 -","- C38 H44 N4 O8 -","2","1","","Saglam, Mehmet F.; Alborzi, Ali R.; Payne, Alan D.; Willis, Anthony C.; Paddon-Row, Michael N; Sherburn, Michael S.","Synthesis and Diels-Alder Reactivity of Substituted [4]Dendralenes.","The Journal of organic chemistry","2016","81","4","1461","1475","10.1021/acs.joc.5b02583","","","0.71073","MoKα","","0.038","0.0346","","0.086","0.0839","0.086","","","","","","1.0081","","","","has coordinates","177222","2020-10-21","18:00:00",""
"4031879","6.5131","0.0004","15.578","0.001","17.347","0.0011","90","","99.532","0.004","90","","1735.74","0.19","200","","200","","","","","","","","local","4","P 1 21/n 1","-P 2yn","14","","","","- C19 H22 N2 O4 -","- C19 H22 N2 O4 -","- C76 H88 N8 O16 -","4","1","","Saglam, Mehmet F.; Alborzi, Ali R.; Payne, Alan D.; Willis, Anthony C.; Paddon-Row, Michael N; Sherburn, Michael S.","Synthesis and Diels-Alder Reactivity of Substituted [4]Dendralenes.","The Journal of organic chemistry","2016","81","4","1461","1475","10.1021/acs.joc.5b02583","","","0.71073","MoKα","","0.0897","0.0601","","0.1554","0.1303","0.1554","","","","","","1.0481","","","","has coordinates","177222","2020-10-21","18:00:00",""
"4031880","8.1146","0.0001","15.1903","0.0003","14.0567","0.0003","90","","105.362","0.001","90","","1670.77","0.05","200","","200","","","","","","","","local","4","P 1 21/a 1","-P 2yab","14","","","","- C19 H22 N2 O4 -","- C19 H22 N2 O4 -","- C76 H88 N8 O16 -","4","1","","Saglam, Mehmet F.; Alborzi, Ali R.; Payne, Alan D.; Willis, Anthony C.; Paddon-Row, Michael N; Sherburn, Michael S.","Synthesis and Diels-Alder Reactivity of Substituted [4]Dendralenes.","The Journal of organic chemistry","2016","81","4","1461","1475","10.1021/acs.joc.5b02583","","","0.71073","MoKα","","0.0536","0.0376","","0.1055","0.1013","0.1055","","","","","","0.9052","","","","has coordinates","177222","2020-10-21","18:00:00",""
"4031881","6.8438","0.0002","9.8978","0.0002","24.5997","0.0006","90","","97.1851","0.001","90","","1653.26","0.07","200","","200","","","","","","","","local","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H22 N2 O4 -","- C19 H22 N2 O4 -","- C76 H88 N8 O16 -","4","1","","Saglam, Mehmet F.; Alborzi, Ali R.; Payne, Alan D.; Willis, Anthony C.; Paddon-Row, Michael N; Sherburn, Michael S.","Synthesis and Diels-Alder Reactivity of Substituted [4]Dendralenes.","The Journal of organic chemistry","2016","81","4","1461","1475","10.1021/acs.joc.5b02583","","","0.71073","MoKα","","0.0815","0.0705","","0.2157","0.2094","0.2157","","","","","","0.995","","","","has coordinates","177222","2020-10-21","18:00:00",""
"4031882","8.6793","0.0002","22.8503","0.0004","9.6857","0.0002","90","","91.2144","0.0009","90","","1920.48","0.07","200","","200","","","","","","","","local","5","P 1 21/a 1","-P 2yab","14","","","","- C19.5 H23 Cl N2 O4 -","- C19.5 H23 Cl N2 O4 -","- C78 H92 Cl4 N8 O16 -","4","1","","Saglam, Mehmet F.; Alborzi, Ali R.; Payne, Alan D.; Willis, Anthony C.; Paddon-Row, Michael N; Sherburn, Michael S.","Synthesis and Diels-Alder Reactivity of Substituted [4]Dendralenes.","The Journal of organic chemistry","2016","81","4","1461","1475","10.1021/acs.joc.5b02583","","","0.71073","MoKα","","0.0933","0.0491","","0.1332","0.1227","0.1332","","","","","","0.8076","","","","has coordinates","177222","2020-10-21","18:00:00",""
"4031883","12.8137","0.0001","20.3565","0.0002","19.3212","0.0002","90","","94.288","0.0006","90","","5025.67","0.08","200","","200","","","","","","","","local","5","P 1 21/a 1","-P 2yab","14","","","","- C25 H29 Cl2 N3 O6 -","- C25 H29 Cl2 N3 O6 -","- C200 H232 Cl16 N24 O48 -","8","2","","Saglam, Mehmet F.; Alborzi, Ali R.; Payne, Alan D.; Willis, Anthony C.; Paddon-Row, Michael N; Sherburn, Michael S.","Synthesis and Diels-Alder Reactivity of Substituted [4]Dendralenes.","The Journal of organic chemistry","2016","81","4","1461","1475","10.1021/acs.joc.5b02583","","","0.71073","MoKα","","0.0693","0.0379","","0.0934","0.0876","0.0934","","","","","","0.821","","","","has coordinates","177222","2020-10-21","18:00:00",""
"4031884","7.6862","0.0003","10.4995","0.0004","28.4514","0.0011","90","","90","","90","","2296.06","0.15","200","","200","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C24 H29 N3 O7 -","- C24 H27 N3 O7 -","- C96 H108 N12 O28 -","4","1","","Saglam, Mehmet F.; Alborzi, Ali R.; Payne, Alan D.; Willis, Anthony C.; Paddon-Row, Michael N; Sherburn, Michael S.","Synthesis and Diels-Alder Reactivity of Substituted [4]Dendralenes.","The Journal of organic chemistry","2016","81","4","1461","1475","10.1021/acs.joc.5b02583","","","0.71073","MoKα","","0.0812","0.0582","","0.1576","0.1499","0.1576","","","","","","0.9925","","","","has coordinates","177222","2020-10-21","18:00:00",""
"4031885","13.2299","0.0002","13.607","0.0002","14.5131","0.0003","90","","91.0006","0.0011","90","","2612.24","0.08","200","","200","","","","","","","","local","5","C 1 c 1","C -2yc","9","","","","- C25 H28 Cl3 N3 O6 -","- C25 H28 Cl3 N3 O6 -","- C100 H112 Cl12 N12 O24 -","4","1","","Saglam, Mehmet F.; Alborzi, Ali R.; Payne, Alan D.; Willis, Anthony C.; Paddon-Row, Michael N; Sherburn, Michael S.","Synthesis and Diels-Alder Reactivity of Substituted [4]Dendralenes.","The Journal of organic chemistry","2016","81","4","1461","1475","10.1021/acs.joc.5b02583","","","0.71073","MoKα","","0.048","0.0422","","0.1106","0.1074","0.1106","","","","","","1.0363","","","","has coordinates","177222","2020-10-21","18:00:00",""
"4031886","15.2613","0.0003","6.8729","0.0001","17.2658","0.0003","90","","108.77","0.001","90","","1714.69","0.05","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C24 H20 O2 -","- C24 H20 O2 -","- C96 H80 O8 -","4","1","","Talipov, Marat R.; Abdelwahed, Sameh H.; Thakur, Khushabu; Reid, Scott A.; Rathore, Rajendra","From Wires to Cables: Attempted Synthesis of 1,3,5-Trifluorenylcyclohexane as a Platform for Molecular Cables.","The Journal of organic chemistry","2016","81","4","1627","1634","10.1021/acs.joc.5b02792","","","1.54178","CuKα","","0.029","0.0277","","","0.0731","0.0741","","","","","","1.029","","","","has coordinates","177223","2020-10-21","18:00:00",""
"4031887","17.3559","0.0003","23.0476","0.0002","10.60473","0.00013","90","","106.077","0.0016","90","","4076.11","0.1","100","0.1","100","0.1","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","","","","- C30 H24 -","- C30 H24 -","- C240 H192 -","8","2","","Talipov, Marat R.; Abdelwahed, Sameh H.; Thakur, Khushabu; Reid, Scott A.; Rathore, Rajendra","From Wires to Cables: Attempted Synthesis of 1,3,5-Trifluorenylcyclohexane as a Platform for Molecular Cables.","The Journal of organic chemistry","2016","81","4","1627","1634","10.1021/acs.joc.5b02792","","","1.54184","CuKα","","0.0497","0.0429","","","0.1072","0.1131","","","","","","1.033","","","","has coordinates","177224","2020-10-21","18:00:00",""
"4031888","10.5272","0.0001","15.2695","0.0002","17.9749","0.0002","90","","90","","90","","2889.38","0.06","100","2","100","2","","","","","","","","2","P 21 21 21","P 2ac 2ab","19","","","","- C42 H30 -","- C42 H30 -","- C168 H120 -","4","1","","Talipov, Marat R.; Abdelwahed, Sameh H.; Thakur, Khushabu; Reid, Scott A.; Rathore, Rajendra","From Wires to Cables: Attempted Synthesis of 1,3,5-Trifluorenylcyclohexane as a Platform for Molecular Cables.","The Journal of organic chemistry","2016","81","4","1627","1634","10.1021/acs.joc.5b02792","","","1.54178","CuKα","","0.0248","0.0245","","","0.0654","0.0657","","","","","","1.015","","","","has coordinates","177225","2020-10-21","18:00:00",""
"4031889","17.2175","0.0005","6.92","0.0002","17.2064","0.0005","90","","92.311","0.001","90","","2048.39","0.1","100","2","100","2","","","","","","","","2","C 1 2/c 1","-C 2yc","15","","","","- C30 H24 -","- C30 H24 -","- C120 H96 -","4","0.5","","Talipov, Marat R.; Abdelwahed, Sameh H.; Thakur, Khushabu; Reid, Scott A.; Rathore, Rajendra","From Wires to Cables: Attempted Synthesis of 1,3,5-Trifluorenylcyclohexane as a Platform for Molecular Cables.","The Journal of organic chemistry","2016","81","4","1627","1634","10.1021/acs.joc.5b02792","","","1.54178","CuKα","","0.0283","0.0281","","","0.0722","0.0724","","","","","","1.034","","","","has coordinates","177226","2020-10-21","18:00:00",""
"4031890","7.6471","0.0008","10.1457","0.0011","10.4036","0.0011","108.059","0.002","102.095","0.002","102.883","0.002","713.47","0.13","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C16 H16 N O4 -","- C16 H16 N O4 -","- C32 H32 N2 O8 -","2","1","","Yang, Wei; Wang, Jingyi; Wei, Zhonglin; Zhang, Qian; Xu, Xianxiu","Kinetic Control of Rh(III)-Catalyzed Annulation of C-H Bonds with Quinones: Chemoselective Synthesis of Hydrophenanthridinones and Phenanthridinones.","The Journal of organic chemistry","2016","81","4","1675","1680","10.1021/acs.joc.5b02903","","","0.71073","MoKα","","0.0634","0.0501","","","0.139","0.1607","","","","","","1.057","","","","has coordinates","177227","2020-10-21","18:00:00",""
"4031891","10.3959","0.0014","20.556","0.003","11.7549","0.0016","90","","109.824","0.002","90","","2363.1","0.6","273","2","273","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C30 H23 N3 O -","- C30 H23 N3 O -","- C120 H92 N12 O4 -","4","1","","Siva Kumari, A. Leela; Kumara Swamy, K. C.","Gold-Catalyzed Concomitant [3 + 3] Cycloaddition/Cascade Heterocyclization of Enynones/Enynals with Azides Leading to Furanotriazines.","The Journal of organic chemistry","2016","81","4","1425","1433","10.1021/acs.joc.5b02567","","","0.71073","MoKα","","0.0617","0.0466","","","0.1251","0.1397","","","","","","0.946","","","","has coordinates","177228","2020-10-21","18:00:00",""
"4031892","7.5985","0.0007","10.1256","0.0008","34.045","0.003","90","","94.613","0.003","90","","2610.9","0.4","273","2","273","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C31 H25 N3 O2 -","- C31 H25 N3 O2 -","- C124 H100 N12 O8 -","4","1","","Siva Kumari, A. Leela; Kumara Swamy, K. C.","Gold-Catalyzed Concomitant [3 + 3] Cycloaddition/Cascade Heterocyclization of Enynones/Enynals with Azides Leading to Furanotriazines.","The Journal of organic chemistry","2016","81","4","1425","1433","10.1021/acs.joc.5b02567","","","0.71073","MoKα","","0.1181","0.1012","","","0.2963","0.3112","","","","","","1.162","","","","has coordinates","177228","2020-10-21","18:00:00",""
"4031893","8.5086","0.0006","10.4268","0.0008","13.873","0.001","103.623","0.009","99.874","0.008","90.545","0.009","1176.83","0.16","173","2","173","2","","","","","","","","5","P 1","P 1","1","","","","- C22 H23 Cl N2 O4 -","- C22 H23 Cl N2 O4 -","- C44 H46 Cl2 N4 O8 -","2","2","","Wangweerawong, Apiwat; Hummel, Joshua R.; Bergman, Robert G.; Ellman, Jonathan A.","Preparation of Enantiomerically Pure Perfluorobutanesulfinamide and Its Application to the Asymmetric Synthesis of α-Amino Acids.","The Journal of organic chemistry","2016","81","4","1547","1557","10.1021/acs.joc.5b02700","","","1.54178","CuKα","","0.1181","0.0792","","","0.1985","0.2282","","","","","","1.004","","","","has coordinates","177229","2020-10-21","18:00:00",""
"4031894","10.2071","0.0007","16.4858","0.0012","12.6284","0.0009","90","","113.189","0.002","90","","1953.3","0.2","93","2","93","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C15 H18 N4 O11 S -","- C15 H18 N4 O11 S -","- C60 H72 N16 O44 S4 -","4","2","","Wangweerawong, Apiwat; Hummel, Joshua R.; Bergman, Robert G.; Ellman, Jonathan A.","Preparation of Enantiomerically Pure Perfluorobutanesulfinamide and Its Application to the Asymmetric Synthesis of α-Amino Acids.","The Journal of organic chemistry","2016","81","4","1547","1557","10.1021/acs.joc.5b02700","","","1.54178","CuKα","","0.0309","0.0307","","","0.0829","0.083","","","","","","1.026","","","","has coordinates","177230","2020-10-21","18:00:00",""
"4031895","7.17","0.003","9.128","0.004","11.218","0.005","98.826","0.007","90.908","0.007","92.801","0.007","724.4","0.5","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","","","- C15 H13 Cl O5 -","- C15 H13 Cl O5 -","- C30 H26 Cl2 O10 -","2","1","","Ram, Ram N.; Gupta, Dharmendra Kumar; Soni, Vineet Kumar","Copper(I)/Ligand-Catalyzed 5-endo Radical Cyclization-Aromatization of 2,2,2-Trichloroethyl Vinyl Ethers: Synthesis of 2,3-Difunctionalized 4-Chlorofurans.","The Journal of organic chemistry","2016","81","4","1665","1674","10.1021/acs.joc.5b02830","","","0.71073","MoKα","","0.0688","0.0468","","","0.1153","0.1235","","","","","","1.049","","","","has coordinates","177231","2020-10-21","18:00:00",""
"4031896","10.2313","0.0003","14.6185","0.0006","15.0517","0.0006","90","","90","","90","","2251.23","0.14","150","0.1","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C23 H34 O3 P2 -","- C23 H32 O3 P2 -","- C92 H128 O12 P8 -","4","1","","Jaklińska, Magdalena; Cordier, Marie; Stankevič, Marek","Stereoselectivity of Michael Addition of P(X)-H-Type Nucleophiles to Cyclohexen-1-ylphosphine Oxide: The Case of Base-Selective Transformation.","The Journal of organic chemistry","2016","81","4","1378","1390","10.1021/acs.joc.5b02337","","","0.71069","MoKα","","0.0534","0.0468","","","0.1096","0.1154","","","","","","1.023","","","","has coordinates","177232","2020-10-21","18:00:00",""
"4031897","6.4902","0.0001","16.0682","0.0002","19.2321","0.0003","90","","91.03","0.001","90","","2005.31","0.05","130","","130","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C25 H23 N O3 -","- C25 H23 N O3 -","- C100 H92 N4 O12 -","4","2","","Zhang, Yu-Chen; Zhu, Qiu-Ning; Yang, Xue; Zhou, Lu-Jia; Shi, Feng","Merging Chiral Brønsted Acid/Base Catalysis: An Enantioselective [4 + 2] Cycloaddition of o-Hydroxystyrenes with Azlactones.","The Journal of organic chemistry","2016","81","4","1681","1688","10.1021/acs.joc.6b00078","","","1.54178","CuKα","","0.0465","0.0454","","","0.1169","0.1179","","","","","","1.053","","","","has coordinates","177233","2020-10-21","18:00:00",""
"4031898","9.1089","0.0018","9.794","0.002","10.309","0.002","90","","90","","90","","919.7","0.3","293","2","293","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C10 H8 N4 O0 -","- C10 H8 N4 -","- C40 H32 N16 -","4","1","","Sun, Kai; Zhu, Zhonghong; Sun, Jingjing; Liu, Lulu; Wang, Xin","Copper-Catalyzed N-Arylation of Azoles and Mannich-Type Coupling of Ketones and Azoles under Metal-Free Conditions.","The Journal of organic chemistry","2016","81","4","1476","1483","10.1021/acs.joc.5b02593","","","0.71073","MoKα","","0.0374","0.0326","","","0.0883","0.0915","","","","","","1.051","","","","has coordinates","177234","2020-10-21","18:00:00",""
"4031899","21.104","0.004","5.9925","0.0012","20.403","0.004","90","","95.16","0.03","90","","2569.8","0.9","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C16 H14 N2 O -","- C16 H14 N2 O -","- C128 H112 N16 O8 -","8","1","","Sun, Kai; Zhu, Zhonghong; Sun, Jingjing; Liu, Lulu; Wang, Xin","Copper-Catalyzed N-Arylation of Azoles and Mannich-Type Coupling of Ketones and Azoles under Metal-Free Conditions.","The Journal of organic chemistry","2016","81","4","1476","1483","10.1021/acs.joc.5b02593","","","0.71073","MoKα","","0.0957","0.0496","","","0.143","0.1795","","","","","","1.023","","","","has coordinates","177235","2020-10-21","18:00:00",""
"4031900","7.1498","0.0008","12.4223","0.0014","15.922","0.0017","90","","101.145","0.006","90","","1387.5","0.3","296","2","296.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H14 N2 O2 -","- C17 H14 N2 O2 -","- C68 H56 N8 O8 -","4","1","","Singh, Bijaya Kumar; Jana, Ranjan","Ligand-Enabled, Copper-Promoted Regio- and Chemoselective Hydroxylation of Arenes, Aryl Halides, and Aryl Methyl Ethers.","The Journal of organic chemistry","2016","81","3","831","841","10.1021/acs.joc.5b02302","","","0.71073","MoKα","","0.0642","0.045","","","0.1152","0.1293","","","","","","1.054","","","","has coordinates","177237","2020-10-21","18:00:00",""
"4031901","9.0301","0.0011","9.6899","0.0011","11.5773","0.0014","89.237","0.005","88.378","0.006","70.942","0.004","957.1","0.2","293","","293.15","","","","","","","","","3","P -1","-P 1","2","","","","- C23 H20 O5 -","- C23 H20 O5 -","- C46 H40 O10 -","2","1","","Mal, Kanchan; Das, Indrajit","Base Induced Chiral Substituted Furans and Imidazoles from Carbohydrate-Derived 2-Haloenones.","The Journal of organic chemistry","2016","81","3","932","945","10.1021/acs.joc.5b02500","","","0.71073","MoKα","","0.0492","0.0422","","","0.1106","0.1169","","","","","","1.055","","","","has coordinates","177238","2020-10-21","18:00:00",""
"4031902","15.0063","0.0014","18.8148","0.0017","19.7847","0.0017","81.121","0.004","75.859","0.004","71.583","0.004","5121.2","0.8","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C16 H16 I2 O4 -","- C16 H16 I2 O4 -","- C192 H192 I24 O48 -","12","6","","Bentley, Keith W.; Joyce, Leo A.; Sherer, Edward C.; Sheng, Huaming; Wolf, Christian; Welch, Christopher J.","Antenna Biphenols: Development of Extended Wavelength Chiroptical Reporters.","The Journal of organic chemistry","2016","81","3","1185","1191","10.1021/acs.joc.5b02716","","","0.71073","MoKα","","0.0749","0.059","","","0.1521","0.162","","","","","","0.913","","","","has coordinates","177239","2020-10-21","18:00:00",""
"4031903","8.523","0.0002","10.0979","0.0003","12.3744","0.0003","67.425","0.001","86.163","0.001","69.144","0.001","915.95","0.04","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C16 H14 Br4 O4 -","- C16 H14 Br4 O4 -","- C32 H28 Br8 O8 -","2","1","","Bentley, Keith W.; Joyce, Leo A.; Sherer, Edward C.; Sheng, Huaming; Wolf, Christian; Welch, Christopher J.","Antenna Biphenols: Development of Extended Wavelength Chiroptical Reporters.","The Journal of organic chemistry","2016","81","3","1185","1191","10.1021/acs.joc.5b02716","","","0.71073","MoKα","","0.0208","0.0178","","","0.0433","0.0442","","","","","","1.015","","","","has coordinates","177240","2020-10-21","18:00:00",""
"4031904","13.0893","0.0003","11.2066","0.0003","17.8513","0.0004","90","","107.849","0.001","90","","2492.51","0.11","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C32 H26 O4 -","- C32 H26 O4 -","- C128 H104 O16 -","4","1","","Bentley, Keith W.; Joyce, Leo A.; Sherer, Edward C.; Sheng, Huaming; Wolf, Christian; Welch, Christopher J.","Antenna Biphenols: Development of Extended Wavelength Chiroptical Reporters.","The Journal of organic chemistry","2016","81","3","1185","1191","10.1021/acs.joc.5b02716","","","0.71073","MoKα","","0.0567","0.0403","","","0.1039","0.1121","","","","","","0.957","","","","has coordinates","177241","2020-10-21","18:00:00",""
"4031905","9.1784","0.0002","10.2343","0.0002","10.5109","0.0003","98.755","0.002","113.273","0.002","114.44","0.001","764.64","0.04","298","2","298","2","","","","","","","","3","P -1","-P 1","2","","","","- C22 H14 O -","- C22 H14 O -","- C44 H28 O2 -","2","1","","Paul, Kartick; Jalal, Swapnadeep; Kundal, Sandip; Jana, Umasish","Synthesis of Fused Dibenzofuran Derivatives via Palladium-Catalyzed Domino C-C Bond Formation and Iron-Catalyzed Cycloisomerization/Aromatization.","The Journal of organic chemistry","2016","81","3","1164","1174","10.1021/acs.joc.5b02637","","","0.71073","MoKα","","0.0903","0.0509","","","0.128","0.1476","","","","","","1.034","","","","has coordinates","177242","2020-10-21","18:00:00",""
"4031906","6.0855","0.0004","20.704","0.0013","9.2928","0.0006","90","","107.58","0.001","90","","1116.16","0.12","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C23 H33 O5 P -","- C23 H33 O5 P -","- C46 H66 O10 P2 -","2","1","","Markley, Jana L.; Maitra, Soma; Hanson, Paul R.","Phosphate Tether-Mediated Ring-Closing Metathesis for the Generation of P-Stereogenic, Z-Configured Bicyclo[7.3.1]- and Bicyclo[8.3.1]phosphates.","The Journal of organic chemistry","2016","81","3","899","911","10.1021/acs.joc.5b02473","","","1.54178","CuKα","","0.0255","0.0255","","","0.0655","0.0656","","","","","","1.069","","","","has coordinates","177243","2020-10-21","18:00:00",""
"4031907","7.9652","0.0009","9.6983","0.001","9.7159","0.001","90","","99.7908","0.0016","90","","739.61","0.14","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C14 H23 O4 P -","- C14 H23 O4 P -","- C28 H46 O8 P2 -","2","1","","Markley, Jana L.; Maitra, Soma; Hanson, Paul R.","Phosphate Tether-Mediated Ring-Closing Metathesis for the Generation of P-Stereogenic, Z-Configured Bicyclo[7.3.1]- and Bicyclo[8.3.1]phosphates.","The Journal of organic chemistry","2016","81","3","899","911","10.1021/acs.joc.5b02473","","","1.54178","CuKα","","0.022","0.022","","","0.0562","0.0562","","","","","","1.093","","","","has coordinates","177244","2020-10-21","18:00:00",""
"4031908","9.0005","0.0005","9.8533","0.0005","10.2837","0.0005","86.35","0.003","84.591","0.003","85.213","0.003","903.35","0.08","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C17 H16 Br N O5 S -","- C17 H16 Br N O5 S -","- C34 H32 Br2 N2 O10 S2 -","2","1","","Wei, Pei-Shun; Wang, Meng-Xue; Xu, Dong-Cheng; Xie, Jian-Wu","Synthesis of 2,3-Dihydrothieno(2,3-b)quinolines and Thieno(2,3-b)- quinolines via an Unexpected Domino Aza-MBH/Alkylation/Aldol Reaction.","The Journal of organic chemistry","2016","81","3","1216","1222","10.1021/acs.joc.5b02369","","","0.71073","MoKα","","0.0743","0.0489","","","0.1434","0.1626","","","","","","1.043","","","","has coordinates","258458","2020-10-21","18:00:00",""
"4031909","16.5377","0.0002","7.9752","0.0001","13.0814","0.0002","90","","92.575","0.001","90","","1723.58","0.04","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H19 N O5 S -","- C18 H19 N O5 S -","- C72 H76 N4 O20 S4 -","4","1","","Wei, Pei-Shun; Wang, Meng-Xue; Xu, Dong-Cheng; Xie, Jian-Wu","Synthesis of 2,3-Dihydrothieno(2,3-b)quinolines and Thieno(2,3-b)- quinolines via an Unexpected Domino Aza-MBH/Alkylation/Aldol Reaction.","The Journal of organic chemistry","2016","81","3","1216","1222","10.1021/acs.joc.5b02369","","","0.71073","MoKα","","0.049","0.0427","","","0.1263","0.1331","","","","","","1.058","","","","has coordinates","258458","2020-10-21","18:00:00",""
"4031910","7.5963","0.0002","18.1171","0.0006","11.602","0.0003","90","","90","","90","","1596.7","0.08","571","2","571","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C18 H16 N2 O3 S -","- C18 H16 N2 O3 S -","- C72 H64 N8 O12 S4 -","4","1","","Wei, Jun; Jiang, Jingxing; Xiao, Xinsheng; Lin, Dongen; Deng, Yuanfu; Ke, Zhuofeng; Jiang, Huanfeng; Zeng, Wei","Copper-Catalyzed Regioselective C-H Sulfonylation of 8-Aminoquinolines.","The Journal of organic chemistry","2016","81","3","946","955","10.1021/acs.joc.5b02509","","","1.54178","CuKα","","0.0336","0.033","","","0.0875","0.0881","","","","","","1.08","","","","has coordinates","177247","2020-10-21","18:00:00",""
"4031911","9.0085","0.0005","11.9601","0.0007","16.9214","0.001","90","","90","","90","","1823.15","0.18","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C21 H17 Cl2 N O -","- C21 H17 Cl2 N O -","- C84 H68 Cl8 N4 O4 -","4","1","","Patel, Darshan C.; Breitbach, Zachary S.; Woods, Ross M.; Lim, Yeeun; Wang, Andy; Jr, Frank W Foss; Armstrong, Daniel W.","Gram Scale Conversion of R-BINAM to R-NOBIN.","The Journal of organic chemistry","2016","81","3","1295","1299","10.1021/acs.joc.5b02663","","","0.71073","MoKα","","0.0563","0.0545","","","0.198","0.2057","","","","","","1.321","","","","has coordinates","177248","2020-10-21","18:00:00",""
"4031912","8.9759","0.0002","9.7135","0.0002","14.17","0.0003","98.454","0.001","105.814","0.001","91.27","0.001","1173.25","0.04","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- C27 H28 O6 -","- C27 H28 O6 -","- C54 H56 O12 -","2","1","","Akbar, Sikkandarkani; Srinivasan, Kannupal","Iron-Catalyzed Tandem Conia-Ene/Friedel-Crafts Reactions of o-Alkynyldihydrochalcones: Access to Benzo[b]fluorenes.","The Journal of organic chemistry","2016","81","3","1229","1236","10.1021/acs.joc.5b02391","","","0.71073","MoKα","","0.0725","0.0453","","","0.1138","0.1327","","","","","","0.98","","","","has coordinates","177249","2020-10-21","18:00:00",""
"4031913","5.9887","0.0002","10.5588","0.0003","28.4505","0.0009","90","","90","","90","","1799.02","0.1","210","2","210","2","","","","","","","","3","P b c n","-P 2n 2ab","60","","7,11,18,21-Tetrathiatrispiro[5.2.2.512.29.26]henicosane","","- C17 H28 S4 -","- C17 H28 S4 -","- C68 H112 S16 -","4","0.5","","Wessig, P.; Gerngroß, M; Freyse, D.; Bruhns, P.; Przezdziak, M.; Schilde, U.; Kelling, A.","Molecular Rods Based on Oligo-spiro-thioketals.","The Journal of organic chemistry","2016","81","3","1125","1136","10.1021/acs.joc.5b02670","","","0.71073","MoKα","","0.0397","0.0365","","","0.0972","0.0987","","","","","","1.072","","","","has coordinates","177250","2020-10-21","18:00:00",""
"4031914","12.119","0.004","7.848","0.002","27.185","0.008","90","","90.261","0.009","90","","2585.5","1.3","113","","113","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C37 H23 B F2 N2 -","- C37 H23 B F2 N2 -","- C148 H92 B4 F8 N8 -","4","1","","Yamazawa, Sho; Nakashima, Mika; Suda, Yukie; Nishiyabu, Ryuhei; Kubo, Yuji","2,3-Naphtho-Fused BODIPYs as Near-Infrared Absorbing Dyes.","The Journal of organic chemistry","2016","81","3","1310","1315","10.1021/acs.joc.5b02720","","","0.71075","MoKα","","0.0504","0.0387","","","0.1007","0.107","","","","","","1.041","","","","has coordinates","177251","2020-10-21","18:00:00",""
"4031915","11.8598","0.0004","19.9474","0.0011","13.9976","0.0005","90","","92.895","0.003","90","","3307.2","0.2","120","2","120","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C14.25 H21 N8 O4.25 -","- C14.25 H21 N8 O4.25 -","- C114 H168 N64 O34 -","8","2","","Stancl, Marek; Gargulakova, Zuzana; Sindelar, Vladimir","Correction to ""Glycoluril Dimer Isomerization under Aqueous Acidic Conditions Related to Cucurbituril Formation"".","The Journal of organic chemistry","2016","81","3","1316","","10.1021/acs.joc.6b00024","","","0.71073","MoKα","","0.069","0.0396","","","0.1125","0.1314","","","","","","0.992","","","","has coordinates,has disorder","177252","2020-10-21","18:00:00",""
"4031916","12.2122","0.0014","9.7378","0.0012","11.5756","0.0014","90","","90.414","0.002","90","","1376.5","0.3","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H14 N2 O -","- C18 H14 N2 O -","- C72 H56 N8 O4 -","4","1","","Zhang, Shi-Jin; Sun, Wen-Wu; Cao, Pei; Dong, Xiao-Ping; Liu, Ji-Kai; Wu, Bin","Stereoselective Synthesis of Diazabicyclic β-Lactams through Intramolecular Amination of Unactivated C(sp(3))-H Bonds of Carboxamides by Palladium Catalysis.","The Journal of organic chemistry","2016","81","3","956","968","10.1021/acs.joc.5b02532","","","0.71073","MoKα","","0.0487","0.0429","","","0.1185","0.1239","","","","","","1.041","","","","has coordinates","177253","2020-10-21","18:00:00",""
"4031917","6.6165","0.0001","8.5077","0.0002","15.0826","0.0003","90","","90","","90","","849.02","0.03","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C10 H10 N2 O -","- C10 H10 N2 O -","- C40 H40 N8 O4 -","4","1","","Zhang, Shi-Jin; Sun, Wen-Wu; Cao, Pei; Dong, Xiao-Ping; Liu, Ji-Kai; Wu, Bin","Stereoselective Synthesis of Diazabicyclic β-Lactams through Intramolecular Amination of Unactivated C(sp(3))-H Bonds of Carboxamides by Palladium Catalysis.","The Journal of organic chemistry","2016","81","3","956","968","10.1021/acs.joc.5b02532","","","1.54178","CuKα","","0.053","0.0468","","","0.1128","0.1345","","","","","","1.179","","","","has coordinates","177254","2020-10-21","18:00:00",""
"4031918","13.6518","0.0017","9.812","0.0012","12.3174","0.0015","90","","112.549","0.002","90","","1523.8","0.3","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H16 N2 O2 -","- C19 H16 N2 O2 -","- C76 H64 N8 O8 -","4","1","","Zhang, Shi-Jin; Sun, Wen-Wu; Cao, Pei; Dong, Xiao-Ping; Liu, Ji-Kai; Wu, Bin","Stereoselective Synthesis of Diazabicyclic β-Lactams through Intramolecular Amination of Unactivated C(sp(3))-H Bonds of Carboxamides by Palladium Catalysis.","The Journal of organic chemistry","2016","81","3","956","968","10.1021/acs.joc.5b02532","","","0.71073","MoKα","","0.0545","0.0429","","","0.1075","0.1158","","","","","","1.032","","","","has coordinates","177255","2020-10-21","18:00:00",""
"4031919","7.8685","0.0007","16.8026","0.0014","10.9944","0.0009","90","","106.843","0.001","90","","1391.2","0.2","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H13 F N2 O -","- C18 H13 F N2 O -","- C72 H52 F4 N8 O4 -","4","1","","Zhang, Shi-Jin; Sun, Wen-Wu; Cao, Pei; Dong, Xiao-Ping; Liu, Ji-Kai; Wu, Bin","Stereoselective Synthesis of Diazabicyclic β-Lactams through Intramolecular Amination of Unactivated C(sp(3))-H Bonds of Carboxamides by Palladium Catalysis.","The Journal of organic chemistry","2016","81","3","956","968","10.1021/acs.joc.5b02532","","","0.71073","MoKα","","0.0724","0.0598","","","0.1732","0.1859","","","","","","1.069","","","","has coordinates","177256","2020-10-21","18:00:00",""
"4031920","7.6988","0.0004","10.1399","0.0006","10.4688","0.0005","98.485","0.003","110.24","0.002","103.21","0.003","723.16","0.07","150","2","150","2","","","","","","","synthesis as described","5","P -1","-P 1","2","","","","- C14 H17 Cl N2 O4 -","- C14 H17 Cl N2 O4 -","- C28 H34 Cl2 N4 O8 -","2","1","","Durel, Vianney; Lalli, Claudia; Roisnel, Thierry; Weghe, Pierre van de","Synergistic Effect of the TiCl4/p-TsOH Promoter System on the Aza-Prins Cyclization.","The Journal of organic chemistry","2016","81","3","849","859","10.1021/acs.joc.5b02342","","x-ray","0.71073","MoKα","","0.0412","0.0352","","","0.0863","0.0904","","","","","","1.034","","","","has coordinates","177257","2020-10-21","18:00:00",""
"4031921","5.4944","0.0006","17.8095","0.0014","23.213","0.003","90","","90","","90","","2271.5","0.4","150","2","150","2","","","","","","","synthesis as described","5","P c a n","-P 2n 2c","60","","","","- C11 H13 Br Cl N -","- C11 H13 Br Cl N -","- C88 H104 Br8 Cl8 N8 -","8","1","","Durel, Vianney; Lalli, Claudia; Roisnel, Thierry; Weghe, Pierre van de","Synergistic Effect of the TiCl4/p-TsOH Promoter System on the Aza-Prins Cyclization.","The Journal of organic chemistry","2016","81","3","849","859","10.1021/acs.joc.5b02342","","x-ray","0.71073","MoKα","","0.0896","0.0446","","","0.0892","0.1052","","","","","","0.975","","","","has coordinates","177258","2020-10-21","18:00:00",""
"4031922","5.7757","0.0005","11.9628","0.0012","11.9927","0.0012","70.251","0.003","89.805","0.002","87.3","0.002","778.95","0.13","292","2","292","2","","","","","","","","4","P -1","-P 1","2","","7-phenyl-6H-chromeno[4,3-b]quinoline","","- C22 H15 N O -","- C22 H15 N O -","- C44 H30 N2 O2 -","2","1","","Aradi, Klára; Bombicz, Petra; Novák, Zoltán","Modular Copper-Catalyzed Synthesis of Chromeno[4,3-b]quinolines with the Utilization of Diaryliodonium Salts.","The Journal of organic chemistry","2016","81","3","920","931","10.1021/acs.joc.5b02490","","","0.71075","MoKα","","0.0837","0.0549","","","0.1539","0.1962","","","","","","1.157","","","","has coordinates","177259","2020-10-21","18:00:00",""
"4031923","17.355","0.004","9.4432","0.0019","20.162","0.004","90","","90","","90","","3304.3","1.2","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C22 H15 Cl O -","- C22 H15 Cl O -","- C176 H120 Cl8 O8 -","8","1","","Ouyang, Lu; Qi, Chaorong; He, Haitao; Peng, Youbin; Xiong, Wenfang; Ren, Yanwei; Jiang, Huanfeng","Base-Promoted Formal [4 + 3] Annulation between 2-Fluorophenylacetylenes and Ketones: A Route to Benzoxepines.","The Journal of organic chemistry","2016","81","3","912","919","10.1021/acs.joc.5b02487","","","0.71073","MoKα","","0.11","0.0539","","","0.1337","0.1638","","","","","","0.978","","","","has coordinates","177260","2020-10-21","18:00:00",""
"4031924","6.4783","0.0013","8.4999","0.0017","23.571","0.005","90","","90","","90","","1297.9","0.5","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C18 H14 O -","- C18 H14 O -","- C72 H56 O4 -","4","1","","Ouyang, Lu; Qi, Chaorong; He, Haitao; Peng, Youbin; Xiong, Wenfang; Ren, Yanwei; Jiang, Huanfeng","Base-Promoted Formal [4 + 3] Annulation between 2-Fluorophenylacetylenes and Ketones: A Route to Benzoxepines.","The Journal of organic chemistry","2016","81","3","912","919","10.1021/acs.joc.5b02487","","","0.71073","MoKα","","0.058","0.0276","","","0.0686","0.0833","","","","","","0.914","","","","has coordinates","177261","2020-10-21","18:00:00",""
"4031925","17.844","0.003","16.028","0.003","16.127","0.003","90","","93.772","0.005","90","","4602.4","1.4","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C55 H47 Cl3 Cu N4 O2 -","- C55 H47 Cl3 Cu N4 O2 -","- C220 H188 Cl12 Cu4 N16 O8 -","4","1","","Gehrold, Andreas C.; Bruhn, Torsten; Bringmann, Gerhard","Axial, Helical, and Planar Chirality in Directly Linked Basket-Handle Porphyrin Arrays.","The Journal of organic chemistry","2016","81","3","1075","1088","10.1021/acs.joc.5b02638","","","0.71073","MoKα","","0.1174","0.0632","","","0.1541","0.1889","","","","","","1.026","","","","has coordinates,has disorder","177262","2020-10-21","18:00:00",""
"4031926","9.718","0.0005","22.6793","0.0013","13.0099","0.0007","90","","102.826","0.004","90","","2795.8","0.3","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C27 H43 Br2 N4 O2.5 -","- C27 H43 Br2 N4 O2.5 -","- C108 H172 Br8 N16 O10 -","4","1","","Abdulwahaab, Bassim H.; Burke, Benjamin P.; Domarkas, Juozas; Silversides, Jon D.; Prior, Timothy J.; Archibald, Stephen J.","Mono- and Bis-Alkylation of Glyoxal-Bridged Tetraazamacrocycles Using Mechanochemistry.","The Journal of organic chemistry","2016","81","3","890","898","10.1021/acs.joc.5b02464","","","0.71073","MoKα","","0.0819","0.0534","","","0.143","0.1558","","","","","","1.013","","","","has coordinates","177263","2020-10-21","18:00:00",""
"4031927","14.54","0.0009","10.1743","0.0008","18.1427","0.0011","90","","102.778","0.005","90","","2617.5","0.3","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C26 H38 Br2 N4 O -","- C26 H38 Br2 N4 O -","- C104 H152 Br8 N16 O4 -","4","1","","Abdulwahaab, Bassim H.; Burke, Benjamin P.; Domarkas, Juozas; Silversides, Jon D.; Prior, Timothy J.; Archibald, Stephen J.","Mono- and Bis-Alkylation of Glyoxal-Bridged Tetraazamacrocycles Using Mechanochemistry.","The Journal of organic chemistry","2016","81","3","890","898","10.1021/acs.joc.5b02464","","","0.71073","MoKα","","0.1519","0.0998","","","0.2221","0.2426","","","","","","1.05","","","","has coordinates,has disorder","177264","2020-10-21","18:00:00",""
"4031928","10.7048","0.0007","13.9924","0.0008","18.8717","0.0013","90","","90","","90","","2826.7","0.3","150","2","150","2","","","","","","","","5","C 2 2 21","C 2c 2","20","","","","- C28 H42 Br2 N4 O -","- C28 H42 Br2 N4 O -","- C112 H168 Br8 N16 O4 -","4","0.5","","Abdulwahaab, Bassim H.; Burke, Benjamin P.; Domarkas, Juozas; Silversides, Jon D.; Prior, Timothy J.; Archibald, Stephen J.","Mono- and Bis-Alkylation of Glyoxal-Bridged Tetraazamacrocycles Using Mechanochemistry.","The Journal of organic chemistry","2016","81","3","890","898","10.1021/acs.joc.5b02464","","","0.71073","MoKα","","0.0842","0.0626","","","0.1441","0.1532","","","","","","0.914","","","","has coordinates","177265","2020-10-21","18:00:00",""
"4031929","8.087","0.0008","9.6789","0.0009","16.5891","0.0015","90.513","0.001","103.315","0.002","92.59","0.001","1262","0.2","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C24 H17 Cl2 I N4 O3 S -","- C24 H17 Cl2 I N4 O3 S -","- C48 H34 Cl4 I2 N8 O6 S2 -","2","1","","Wang, Ai-Fang; Zhu, Yi-Long; Wang, Shu-Liang; Hao, Wen-Juan; Li, Guigen; Tu, Shu-Jiang; Jiang, Bo","Metal-Free Radical Haloazidation of Benzene-Tethered 1,7-Enynes Leading to Polyfunctionalized 3,4-Dihydroquinolin-2(1H)-ones.","The Journal of organic chemistry","2016","81","3","1099","1105","10.1021/acs.joc.5b02655","","","0.71073","MoKα","","0.0656","0.0452","","","0.1121","0.1193","","","","","","1.057","","","","has coordinates","177266","2020-10-21","18:00:00",""
"4031930","9.5967","0.0007","9.6229","0.0007","13.7596","0.001","74.082","0.002","78.938","0.002","79.032","0.002","1186.42","0.15","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H56 O12 S8 Si8 -","- C12 H28 O6 S4 Si4 -","- C24 H56 O12 S8 Si8 -","2","1","","Anna Kowalewska","Octa(3-mercaptopropyl)octasilsesquioxane - A reactive nanocube of unique self-assembled packing morphology","Journal of Organometallic Chemistry","2016","810","","15","24","10.1016/j.jorganchem.2016.02.040","","","1.54178","CuKα","","0.0385","0.0376","","","0.0948","0.0956","","","","","","1.036","","","","has coordinates","180656","2020-10-21","18:00:00",""
"4031931","8.4658","0.0012","12.7598","0.0018","14.619","0.002","75.041","0.002","89.508","0.002","87.31","0.002","1524","0.4","150","2","150","2","","","","","","","","5","P -1","-P 1","2","tetraethoxy dioxo-bis-bispidine","","","- C27 H46 Cl2 N4 O6 -","- C27 H46 Cl2 N4 O6 -","- C54 H92 Cl4 N8 O12 -","2","1","","Wang, Zhuo; Islam, Md Jahirul; Vukotic, V. Nicholas; Revington, Matthew J.","Conformational Study of N,N'-Diacyl Bispidines and Dioxo Bis-bispidines: Planar Chirality and Molecular Switching.","The Journal of organic chemistry","2016","81","7","2981","2986","10.1021/acs.joc.6b00250","","","0.71073","MoKα","","0.0862","0.0553","","","0.1235","0.1386","","","","","","1.018","","","","has coordinates","181438","2020-10-21","18:00:00",""
"4031932","8.2504","0.0011","9.6655","0.0013","11.6169","0.0015","100.467","0.001","91.12","0.001","107.542","0.001","865.9","0.2","150","2","150","2","","","","","","","","5","P -1","-P 1","2","diethoxy N,N'-di(chloroacetyl)bispidine","","","- C15 H24 Cl2 N2 O4 -","- C15 H24 Cl2 N2 O4 -","- C30 H48 Cl4 N4 O8 -","2","1","","Wang, Zhuo; Islam, Md Jahirul; Vukotic, V. Nicholas; Revington, Matthew J.","Conformational Study of N,N'-Diacyl Bispidines and Dioxo Bis-bispidines: Planar Chirality and Molecular Switching.","The Journal of organic chemistry","2016","81","7","2981","2986","10.1021/acs.joc.6b00250","","","0.71073","MoKα","","0.0354","0.0308","","","0.0761","0.0801","","","","","","0.996","","","","has coordinates","181438","2020-10-21","18:00:00",""
"4031933","16.3112","0.0009","5.7559","0.0003","17.7642","0.001","90","","94.2846","0.0015","90","","1663.14","0.16","93","0.2","93","0.2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C19 H17 Br O2 -","- C19 H17 Br O2 -","- C76 H68 Br4 O8 -","4","2","","Ubukata, Shino; Ito, Jun-Ichi; Oguri, Ryota; Nishiyama, Hisao","Asymmetric Three-Component Coupling Reaction of Alkyne, Enone, and Aldehyde Catalyzed by Chiral Phebox Ruthenium Catalysts.","The Journal of organic chemistry","2016","81","8","3347","3355","10.1021/acs.joc.6b00374","","","0.71073","MoKα","","0.0279","0.0265","","","0.0647","0.0653","","","","","","1.171","","","","has coordinates","182507","2020-10-21","18:00:00",""
"4031934","6.1436","0.0004","6.8104","0.0006","10.8156","0.0009","87.661","0.007","78.156","0.007","83.52","0.006","439.99","0.06","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C9 H14 O3 -","- C9 H14 O3 -","- C18 H28 O6 -","2","1","","Li, Yuanzhen; Yang, Shuang; Wen, Genfa; Lin, Qiqiao; Zhang, Guoxiang; Qiu, Lin; Zhang, Xiaoyan; Du, Guangfen; Fang, Xinqiang","Asymmetric Desymmetrization of 1,3-Diketones via Intramolecular Benzoin Reaction.","The Journal of organic chemistry","2016","81","7","2763","2769","10.1021/acs.joc.5b02829","","","1.54184","CuKα","","0.042","0.0374","","","0.1009","0.1045","","","","","","1.088","","","","has coordinates","181337","2020-10-21","18:00:00",""
"4031935","7.083","0.0002","7.1796","0.0002","11.8698","0.0003","90","","92.156","0.003","90","","603.19","0.03","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C14 H15 F O3 -","- C14 H15 F O3 -","- C28 H30 F2 O6 -","2","1","","Li, Yuanzhen; Yang, Shuang; Wen, Genfa; Lin, Qiqiao; Zhang, Guoxiang; Qiu, Lin; Zhang, Xiaoyan; Du, Guangfen; Fang, Xinqiang","Asymmetric Desymmetrization of 1,3-Diketones via Intramolecular Benzoin Reaction.","The Journal of organic chemistry","2016","81","7","2763","2769","10.1021/acs.joc.5b02829","","","1.54184","CuKα","","0.0313","0.0295","","","0.0808","0.0827","","","","","","1.058","","","","has coordinates","181338","2020-10-21","18:00:00",""
"4031936","21.975","0.0005","7.9493","0.0002","19.2418","0.0006","90","","104.993","0.001","90","","3246.84","0.15","223","2","223","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C19 H16 N4 O -","- C19 H16 N4 O -","- C152 H128 N32 O8 -","8","1","","Wrobel, Agnes Johanna; Lucchesi, Ralph; Wibbeling, Birgit; Daniliuc, Constantin-Gabriel; Fröhlich, Roland; Würthwein, Ernst-Ulrich","1,3,5-Triazapentadienes by Nucleophilic Addition to 1,3- and 1,4-Dinitriles-Sterically Constrained Examples by Incorporation into Cyclic Peripheries: Synthesis, Aggregation, and Photophysical Properties.","The Journal of organic chemistry","2016","81","7","2849","2863","10.1021/acs.joc.6b00126","","","0.71073","MoKα","","0.094","0.0632","","","0.1328","0.1529","","","","","","1.103","","","","has coordinates","181339","2020-10-21","18:00:00",""
"4031937","9.392","0.0005","9.6342","0.0005","13.7713","0.0008","77.113","0.002","81.781","0.002","65.015","0.005","1099.35","0.11","223","2","223","2","","","","","","","","3","P -1","-P 1","2","","","","- C27 H29 N3 -","- C27 H29 N3 -","- C54 H58 N6 -","2","1","","Wrobel, Agnes Johanna; Lucchesi, Ralph; Wibbeling, Birgit; Daniliuc, Constantin-Gabriel; Fröhlich, Roland; Würthwein, Ernst-Ulrich","1,3,5-Triazapentadienes by Nucleophilic Addition to 1,3- and 1,4-Dinitriles-Sterically Constrained Examples by Incorporation into Cyclic Peripheries: Synthesis, Aggregation, and Photophysical Properties.","The Journal of organic chemistry","2016","81","7","2849","2863","10.1021/acs.joc.6b00126","","","1.54178","CuKα","","0.061","0.0533","","","0.1408","0.1492","","","","","","1.017","","","","has coordinates,has disorder","181340","2020-10-21","18:00:00",""
"4031938","11.7471","0.0001","13.291","0.0001","11.5874","0.0001","90","","106.749","0.001","90","","1732.4","0.03","223","2","223","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C20 H23 N3 -","- C20 H23 N3 -","- C80 H92 N12 -","4","1","","Wrobel, Agnes Johanna; Lucchesi, Ralph; Wibbeling, Birgit; Daniliuc, Constantin-Gabriel; Fröhlich, Roland; Würthwein, Ernst-Ulrich","1,3,5-Triazapentadienes by Nucleophilic Addition to 1,3- and 1,4-Dinitriles-Sterically Constrained Examples by Incorporation into Cyclic Peripheries: Synthesis, Aggregation, and Photophysical Properties.","The Journal of organic chemistry","2016","81","7","2849","2863","10.1021/acs.joc.6b00126","","","1.54178","CuKα","","0.0482","0.044","","","0.1111","0.115","","","","","","1.037","","","","has coordinates","181341","2020-10-21","18:00:00",""
"4031939","22.1401","0.0007","10.4147","0.0004","14.3555","0.0007","90","","100.699","0.003","90","","3252.6","0.2","223","2","223","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C17.5 H19 N4 O0.5 -","- C17.5 H19 N4 O0.5 -","- C140 H152 N32 O4 -","8","2","","Wrobel, Agnes Johanna; Lucchesi, Ralph; Wibbeling, Birgit; Daniliuc, Constantin-Gabriel; Fröhlich, Roland; Würthwein, Ernst-Ulrich","1,3,5-Triazapentadienes by Nucleophilic Addition to 1,3- and 1,4-Dinitriles-Sterically Constrained Examples by Incorporation into Cyclic Peripheries: Synthesis, Aggregation, and Photophysical Properties.","The Journal of organic chemistry","2016","81","7","2849","2863","10.1021/acs.joc.6b00126","","","1.54178","CuKα","","0.0403","0.0382","","","0.095","0.097","","","","","","1.035","","","","has coordinates,has disorder","181342","2020-10-21","18:00:00",""
"4031940","9.0878","0.0001","9.202","0.0001","9.5148","0.0002","95.924","0.001","110.639","0.001","96.782","0.001","730.37","0.02","223","2","223","2","","","","","","","","3","P -1","-P 1","2","","","","- C17 H23 N3 -","- C17 H23 N3 -","- C34 H46 N6 -","2","1","","Wrobel, Agnes Johanna; Lucchesi, Ralph; Wibbeling, Birgit; Daniliuc, Constantin-Gabriel; Fröhlich, Roland; Würthwein, Ernst-Ulrich","1,3,5-Triazapentadienes by Nucleophilic Addition to 1,3- and 1,4-Dinitriles-Sterically Constrained Examples by Incorporation into Cyclic Peripheries: Synthesis, Aggregation, and Photophysical Properties.","The Journal of organic chemistry","2016","81","7","2849","2863","10.1021/acs.joc.6b00126","","","1.54178","CuKα","","0.0427","0.0412","","","0.1047","0.1061","","","","","","1.033","","","","has coordinates","181343","2020-10-21","18:00:00",""
"4031941","5.3908","0.0004","12.7036","0.0008","21.4042","0.0016","90","","92.502","0.003","90","","1464.42","0.18","223","2","223","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C19 H15 N3 -","- C19 H15 N3 -","- C76 H60 N12 -","4","1","","Wrobel, Agnes Johanna; Lucchesi, Ralph; Wibbeling, Birgit; Daniliuc, Constantin-Gabriel; Fröhlich, Roland; Würthwein, Ernst-Ulrich","1,3,5-Triazapentadienes by Nucleophilic Addition to 1,3- and 1,4-Dinitriles-Sterically Constrained Examples by Incorporation into Cyclic Peripheries: Synthesis, Aggregation, and Photophysical Properties.","The Journal of organic chemistry","2016","81","7","2849","2863","10.1021/acs.joc.6b00126","","","1.54178","CuKα","","0.0913","0.0533","","","0.1232","0.1487","","","","","","1.046","","","","has coordinates","181344","2020-10-21","18:00:00",""
"4031942","14.5287","0.0001","5.131","0.0001","18.0984","0.0001","90","","106.735","0.001","90","","1292.04","0.03","223","2","223","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C17 H12 N4 -","- C17 H12 N4 -","- C68 H48 N16 -","4","1","","Wrobel, Agnes Johanna; Lucchesi, Ralph; Wibbeling, Birgit; Daniliuc, Constantin-Gabriel; Fröhlich, Roland; Würthwein, Ernst-Ulrich","1,3,5-Triazapentadienes by Nucleophilic Addition to 1,3- and 1,4-Dinitriles-Sterically Constrained Examples by Incorporation into Cyclic Peripheries: Synthesis, Aggregation, and Photophysical Properties.","The Journal of organic chemistry","2016","81","7","2849","2863","10.1021/acs.joc.6b00126","","","1.54178","CuKα","","0.0569","0.0429","","","0.1094","0.12","","","","","","1.025","","","","has coordinates","181345","2020-10-21","18:00:00",""
"4031943","12.3812","0.0003","5.6553","0.0001","18.7769","0.0005","90","","92.864","0.001","90","","1313.11","0.05","223","2","223","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C18 H13 N3 -","- C18 H13 N3 -","- C72 H52 N12 -","4","1","","Wrobel, Agnes Johanna; Lucchesi, Ralph; Wibbeling, Birgit; Daniliuc, Constantin-Gabriel; Fröhlich, Roland; Würthwein, Ernst-Ulrich","1,3,5-Triazapentadienes by Nucleophilic Addition to 1,3- and 1,4-Dinitriles-Sterically Constrained Examples by Incorporation into Cyclic Peripheries: Synthesis, Aggregation, and Photophysical Properties.","The Journal of organic chemistry","2016","81","7","2849","2863","10.1021/acs.joc.6b00126","","","0.71073","MoKα","","0.0672","0.0459","","","0.1149","0.1262","","","","","","1.033","","","","has coordinates","181346","2020-10-21","18:00:00",""
"4031944","13.174","0.0006","9.647","0.0004","16.383","0.0007","90","","113.416","0.002","90","","1910.63","0.15","223","2","223","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C21 H24 N4 O -","- C21 H24 N4 O -","- C84 H96 N16 O4 -","4","1","","Wrobel, Agnes Johanna; Lucchesi, Ralph; Wibbeling, Birgit; Daniliuc, Constantin-Gabriel; Fröhlich, Roland; Würthwein, Ernst-Ulrich","1,3,5-Triazapentadienes by Nucleophilic Addition to 1,3- and 1,4-Dinitriles-Sterically Constrained Examples by Incorporation into Cyclic Peripheries: Synthesis, Aggregation, and Photophysical Properties.","The Journal of organic chemistry","2016","81","7","2849","2863","10.1021/acs.joc.6b00126","","","1.54178","CuKα","","0.0524","0.047","","","0.1241","0.1294","","","","","","1.035","","","","has coordinates","181347","2020-10-21","18:00:00",""
"4031945","17.2832","0.0009","10.5241","0.0005","16.7531","0.0008","90","","102","0.005","90","","2980.6","0.3","223","2","223","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C15 H22 N4 -","- C15 H22 N4 -","- C120 H176 N32 -","8","1","","Wrobel, Agnes Johanna; Lucchesi, Ralph; Wibbeling, Birgit; Daniliuc, Constantin-Gabriel; Fröhlich, Roland; Würthwein, Ernst-Ulrich","1,3,5-Triazapentadienes by Nucleophilic Addition to 1,3- and 1,4-Dinitriles-Sterically Constrained Examples by Incorporation into Cyclic Peripheries: Synthesis, Aggregation, and Photophysical Properties.","The Journal of organic chemistry","2016","81","7","2849","2863","10.1021/acs.joc.6b00126","","","1.54178","CuKα","","0.0509","0.0427","","","0.1094","0.1162","","","","","","1.021","","","","has coordinates","181348","2020-10-21","18:00:00",""
"4031946","15.8339","0.0004","3.9749","0.0001","16.9483","0.0004","90","","101.628","0.001","90","","1044.8","0.04","223","2","223","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C14 H8 N2 -","- C14 H8 N2 -","- C56 H32 N8 -","4","0.5","","Wrobel, Agnes Johanna; Lucchesi, Ralph; Wibbeling, Birgit; Daniliuc, Constantin-Gabriel; Fröhlich, Roland; Würthwein, Ernst-Ulrich","1,3,5-Triazapentadienes by Nucleophilic Addition to 1,3- and 1,4-Dinitriles-Sterically Constrained Examples by Incorporation into Cyclic Peripheries: Synthesis, Aggregation, and Photophysical Properties.","The Journal of organic chemistry","2016","81","7","2849","2863","10.1021/acs.joc.6b00126","","","1.54178","CuKα","","0.0495","0.0427","","","0.1085","0.1152","","","","","","1.055","","","","has coordinates","181349","2020-10-21","18:00:00",""
"4031947","16.8777","0.0004","9.1711","0.0002","21.9473","0.0006","90","","91.346","0.001","90","","3396.22","0.14","223","2","223","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C20 H22 N4 -","- C20 H22 N4 -","- C160 H176 N32 -","8","1","","Wrobel, Agnes Johanna; Lucchesi, Ralph; Wibbeling, Birgit; Daniliuc, Constantin-Gabriel; Fröhlich, Roland; Würthwein, Ernst-Ulrich","1,3,5-Triazapentadienes by Nucleophilic Addition to 1,3- and 1,4-Dinitriles-Sterically Constrained Examples by Incorporation into Cyclic Peripheries: Synthesis, Aggregation, and Photophysical Properties.","The Journal of organic chemistry","2016","81","7","2849","2863","10.1021/acs.joc.6b00126","","","0.71073","MoKα","","0.0573","0.051","","","0.1192","0.1257","","","","","","1.086","","","","has coordinates","181350","2020-10-21","18:00:00",""
"4031948","15.602","0.0004","12.952","0.0003","11.0992","0.0002","90","","103.31","0.001","90","","2182.65","0.09","223","2","223","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C13 H14 N2 O -","- C13 H14 N2 O -","- C104 H112 N16 O8 -","8","1","","Wrobel, Agnes Johanna; Lucchesi, Ralph; Wibbeling, Birgit; Daniliuc, Constantin-Gabriel; Fröhlich, Roland; Würthwein, Ernst-Ulrich","1,3,5-Triazapentadienes by Nucleophilic Addition to 1,3- and 1,4-Dinitriles-Sterically Constrained Examples by Incorporation into Cyclic Peripheries: Synthesis, Aggregation, and Photophysical Properties.","The Journal of organic chemistry","2016","81","7","2849","2863","10.1021/acs.joc.6b00126","","","0.71073","MoKα","","0.081","0.0607","","","0.128","0.1397","","","","","","1.09","","","","has coordinates","181351","2020-10-21","18:00:00",""
"4031949","11.6415","0.0007","14.699","0.0008","6.9416","0.0004","90","","100.918","0.004","90","","1166.33","0.12","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C12 H7 N5 S2 -","- C12 H7 N5 S2 -","- C48 H28 N20 S8 -","4","1","","Mota, Alberto A. R.; Corrêa, José R; Carvalho, Pedro H. P. R.; de Sousa, Núbia M P; de Oliveira, Heibbe C. B.; Gatto, Claudia C.; da Silva Filho, Demétrio A; de Oliveira, Aline L.; Neto, Brenno A. D.","Synthesis, Structure, Properties, and Bioimaging of a Fluorescent Nitrogen-Linked Bisbenzothiadiazole.","The Journal of organic chemistry","2016","81","7","2958","2965","10.1021/acs.joc.6b00245","","","0.71073","MoKα","","0.0838","0.0457","","","0.0966","0.1151","","","","","","1.039","","","","has coordinates","211196","2020-10-21","18:00:00",""
"4031950","11.2442","0.0006","12.6155","0.0007","11.9818","0.0007","90","","92.599","0.003","90","","1697.88","0.16","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C25 H18 O -","- C25 H18 O -","- C100 H72 O4 -","4","1","","Hu, Pan; Lee, Sangsu; Park, Kyu Hyung; Das, Soumyajit; Herng, Tun Seng; Gonçalves, Théo P; Huang, Kuo-Wei; Ding, Jun; Kim, Dongho; Wu, Jishan","Octazethrene and Its Isomer with Different Diradical Characters and Chemical Reactivity: The Role of the Bridge Structure.","The Journal of organic chemistry","2016","81","7","2911","2919","10.1021/acs.joc.6b00172","","","1.54178","CuKα","","0.0463","0.0413","","","0.1161","0.13","","","","","","1.121","","","","has coordinates","181353","2020-10-21","18:00:00",""
"4031951","8.3105","0.0003","9.6129","0.0003","28.8543","0.001","90","","96.657","0.002","90","","2289.57","0.14","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C31 H31 O -","- C31 H31 O -","- C124 H124 O4 -","4","1","","Hu, Pan; Lee, Sangsu; Park, Kyu Hyung; Das, Soumyajit; Herng, Tun Seng; Gonçalves, Théo P; Huang, Kuo-Wei; Ding, Jun; Kim, Dongho; Wu, Jishan","Octazethrene and Its Isomer with Different Diradical Characters and Chemical Reactivity: The Role of the Bridge Structure.","The Journal of organic chemistry","2016","81","7","2911","2919","10.1021/acs.joc.6b00172","","","1.54178","CuKα","","0.0804","0.0483","","","0.1057","0.1187","","","","","","1.041","","","","has coordinates","181354","2020-10-21","18:00:00",""
"4031952","9.2006","0.0004","10.9573","0.0006","13.7554","0.0006","95.316","0.002","99.204","0.001","114.807","0.001","1222.66","0.1","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C63 H48 F10 O2 -","- C63 H48 F10 O2 -","- C63 H48 F10 O2 -","1","0.5","","Hu, Pan; Lee, Sangsu; Park, Kyu Hyung; Das, Soumyajit; Herng, Tun Seng; Gonçalves, Théo P; Huang, Kuo-Wei; Ding, Jun; Kim, Dongho; Wu, Jishan","Octazethrene and Its Isomer with Different Diradical Characters and Chemical Reactivity: The Role of the Bridge Structure.","The Journal of organic chemistry","2016","81","7","2911","2919","10.1021/acs.joc.6b00172","","","0.71073","MoKα","","0.0635","0.0529","","","0.1401","0.1467","","","","","","1.059","","","","has coordinates,has disorder","181355","2020-10-21","18:00:00",""
"4031953","13.9053","0.0007","6.1919","0.0003","16.7754","0.0011","90","","99.909","0.002","90","","1422.82","0.14","190","2","190","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H15 N5 O -","- C16 H15 N5 O -","- C64 H60 N20 O4 -","4","1","","Åkerbladh, Linda; Odell, Luke R.","Synthesis of 2-Aminoquinazolinones via Carbonylative Coupling of ortho-Iodoanilines and Cyanamide.","The Journal of organic chemistry","2016","81","7","2966","2973","10.1021/acs.joc.6b00249","","","0.71073","MoKα","","0.1721","0.0631","","","0.1142","0.1449","","","","","","0.969","","","","has coordinates","181356","2020-10-21","18:00:00",""
"4031954","5.304","0.0003","6.0907","0.0003","16.9947","0.001","90","","91.708","0.005","90","","548.77","0.05","290","2","290","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C12 H9 Br O3 -","- C12 H9 Br O3 -","- C24 H18 Br2 O6 -","2","1","","Li, Yanan; Hu, Yanbin; Zhang, Sheng; Sun, Jianan; Li, Lijun; Zha, Zhenggen; Wang, Zhiyong","Copper-Catalyzed Enantioselective Hetero-Diels-Alder Reaction of Danishefsky's Diene with Glyoxals.","The Journal of organic chemistry","2016","81","7","2993","2999","10.1021/acs.joc.5b02780","","","1.54184","CuKα","","0.0667","0.0661","","","0.1676","0.1681","","","","","","1.027","","","","has coordinates","181357","2020-10-21","18:00:00",""
"4031955","10.1738","0.0002","10.6826","0.0001","17.3464","0.0003","90","","103.28","0.0016","90","","1834.84","0.05","150","","150","","","","","","","","local","4","P 1 21/n 1","-P 2yn","14","","","","- C21 H28 N2 O2 -","- C21 H28 N2 O2 -","- C84 H112 N8 O8 -","4","1","","Tang, Fei; Banwell, Martin G.; Willis, Anthony C.","Palladium-Catalyzed Ullmann Cross-Coupling/Tandem Reductive Cyclization Route to Key Members of the Uleine Alkaloid Family.","The Journal of organic chemistry","2016","81","7","2950","2957","10.1021/acs.joc.6b00240","","","1.54184","CuKα","","0.0353","0.0312","","0.075","0.0722","0.075","","","","","","0.9903","","","","has coordinates","181358","2020-10-21","18:00:00",""
"4031956","8.56836","0.0001","12.02612","0.00014","14.15115","0.00014","90","","90","","90","","1458.19","0.03","150","","150","","","","","","","","local","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H16 N2 O3 -","- C16 H16 N2 O3 -","- C64 H64 N8 O12 -","4","1","","Tang, Fei; Banwell, Martin G.; Willis, Anthony C.","Palladium-Catalyzed Ullmann Cross-Coupling/Tandem Reductive Cyclization Route to Key Members of the Uleine Alkaloid Family.","The Journal of organic chemistry","2016","81","7","2950","2957","10.1021/acs.joc.6b00240","","","1.54184","CuKα","","0.0276","0.0269","","0.0691","0.0686","0.0691","","","","","","1.0024","","","","has coordinates","181359","2020-10-21","18:00:00",""
"4031957","8.0726","0.0005","10.504","0.0006","16.4544","0.0011","90","","90","","90","","1395.24","0.15","200","2","200","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C17 H16 N2 -","- C17 H16 N2 -","- C68 H64 N8 -","4","1","","Quinodoz, Pierre; Drouillat, Bruno; Wright, Karen; Marrot, Jérôme; Couty, François","N-Arylazetidines: Preparation through Anionic Ring Closure.","The Journal of organic chemistry","2016","81","7","2899","2910","10.1021/acs.joc.6b00169","","","0.71073","MoKα","","0.0478","0.0378","","","0.0934","0.0996","","","","","","1.077","","","","has coordinates","181360","2020-10-21","18:00:00",""
"4031958","9.6634","0.0005","9.6634","0.0005","14.0625","0.001","90","","90","","90","","1313.17","0.13","200","2","200","2","","","","","","","","3","P 43","P 4cw","78","","","","- C16 H14 N2 -","- C16 H14 N2 -","- C64 H56 N8 -","4","1","","Quinodoz, Pierre; Drouillat, Bruno; Wright, Karen; Marrot, Jérôme; Couty, François","N-Arylazetidines: Preparation through Anionic Ring Closure.","The Journal of organic chemistry","2016","81","7","2899","2910","10.1021/acs.joc.6b00169","","","0.71073","MoKα","","0.0368","0.0329","","","0.0791","0.0818","","","","","","1.114","","","","has coordinates","181361","2020-10-21","18:00:00",""
"4031959","18.3402","0.0017","5.2971","0.0006","17.7876","0.0019","90","","108.308","0.012","90","","1640.6","0.3","298","","298","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H19 N3 O -","- C20 H19 N3 O -","- C80 H76 N12 O4 -","4","1","","Vidyacharan, Shinde; Murugan, Arumugavel; Sharada, Duddu S.","C(sp(2))-H Functionalization of 2H-Indazoles at C3-Position via Palladium(II)-Catalyzed Isocyanide Insertion Strategy Leading to Diverse Heterocycles.","The Journal of organic chemistry","2016","81","7","2837","2848","10.1021/acs.joc.6b00048","","","1.54184","CuKα","","0.0781","0.0528","","","0.1402","0.1597","","","","","","1.0651","","","","has coordinates","181362","2020-10-21","18:00:00",""
"4031960","9.6457","0.0018","10.255","0.002","10.4809","0.0019","114.778","0.019","103.217","0.016","93.707","0.016","901.1","0.3","295.42","0.1","295.42","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C21 H23 N O -","- C21 H23 N O -","- C42 H46 N2 O2 -","2","1","","Chen, Fei; Yang, Xiu-Long; Wu, Zhi-Wei; Han, Bing","Synthesis of Isoxazoline/Cyclic Nitrone-Featured Methylenes Using Unsaturated Ketoximes: A Dual Role of TEMPO.","The Journal of organic chemistry","2016","81","7","3042","3050","10.1021/acs.joc.6b00180","","x-ray","0.71073","MoKα","","0.1005","0.059","","","0.1169","0.1441","","","","","","1.037","","","","has coordinates","181363","2020-10-21","18:00:00",""
"4031961","9.9162","0.001","12.1827","0.0009","11.4435","0.0012","90","","106.801","0.012","90","","1323.4","0.2","293.66","0.1","293.66","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H19 N O -","- C15 H19 N O -","- C60 H76 N4 O4 -","4","1","","Chen, Fei; Yang, Xiu-Long; Wu, Zhi-Wei; Han, Bing","Synthesis of Isoxazoline/Cyclic Nitrone-Featured Methylenes Using Unsaturated Ketoximes: A Dual Role of TEMPO.","The Journal of organic chemistry","2016","81","7","3042","3050","10.1021/acs.joc.6b00180","","","0.71","MoKα","","0.0722","0.0486","","","0.12","0.1391","","","","","","1.046","","","","has coordinates","181364","2020-10-21","18:00:00",""
"4031962","10.59","0.002","6.6123","0.0013","10.786","0.002","90","","95.25","0.03","90","","752.1","0.3","170","2","170","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C17 H16 N2 O6 -","- C17 H16 N2 O6 -","- C34 H32 N4 O12 -","2","1","","Gayakhe, Vijay; Ardhapure, Ajaykumar; Kapdi, Anant R.; Sanghvi, Yogesh S.; Serrano, Jose Luis; García, Luis; Pérez, Jose; García, Joaquím; Sánchez, Gregorio; Fischer, Christian; Schulzke, Carola","Water-Soluble Pd-Imidate Complexes: Broadly Applicable Catalysts for the Synthesis of Chemically Modified Nucleosides via Pd-Catalyzed Cross-Coupling.","The Journal of organic chemistry","2016","81","7","2713","2729","10.1021/acs.joc.5b02475","","","0.71073","MoKα","","0.0751","0.0683","","","0.1973","0.2361","","","","","","1.328","","","","has coordinates","181365","2020-10-21","18:00:00",""
"4031963","8.503","0.002","19.136","0.004","24.138","0.005","90","","90","","90","","3927.6","1.5","170","2","170","2","","","","","","","","4","C 2 2 21","C 2c 2","20","","","","- C21 H24 N2 O7 -","- C21 H24 N2 O7 -","- C168 H192 N16 O56 -","8","1","","Gayakhe, Vijay; Ardhapure, Ajaykumar; Kapdi, Anant R.; Sanghvi, Yogesh S.; Serrano, Jose Luis; García, Luis; Pérez, Jose; García, Joaquím; Sánchez, Gregorio; Fischer, Christian; Schulzke, Carola","Water-Soluble Pd-Imidate Complexes: Broadly Applicable Catalysts for the Synthesis of Chemically Modified Nucleosides via Pd-Catalyzed Cross-Coupling.","The Journal of organic chemistry","2016","81","7","2713","2729","10.1021/acs.joc.5b02475","","","0.71073","MoKα","","0.0518","0.0458","","","0.1119","0.1179","","","","","","1.001","","","","has coordinates","181366","2020-10-21","18:00:00",""
"4031964","14.8466","0.0006","9.9164","0.0004","15.3707","0.0006","90","","94.973","0.001","90","","2254.43","0.16","100","2","100","2","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C25 H24 N5 O2 P Pd -","- C25 H24 N5 O2 P Pd -","- C100 H96 N20 O8 P4 Pd4 -","4","1","","Gayakhe, Vijay; Ardhapure, Ajaykumar; Kapdi, Anant R.; Sanghvi, Yogesh S.; Serrano, Jose Luis; García, Luis; Pérez, Jose; García, Joaquím; Sánchez, Gregorio; Fischer, Christian; Schulzke, Carola","Water-Soluble Pd-Imidate Complexes: Broadly Applicable Catalysts for the Synthesis of Chemically Modified Nucleosides via Pd-Catalyzed Cross-Coupling.","The Journal of organic chemistry","2016","81","7","2713","2729","10.1021/acs.joc.5b02475","","","0.71073","MoKα","","0.0274","0.0217","","","0.0531","0.0558","","","","","","0.91","","","","has coordinates","181367","2020-10-21","18:00:00",""
"4031965","9.3167","0.0006","12.8999","0.0008","20.3246","0.0014","90","","90","","90","","2442.7","0.3","100","2","100","2","","","","","","","","6","P 21 c a","P -2ac 2a","29","","","","- C26 H24 N5 O3 P Pd -","- C26 H24 N5 O3 P Pd -","- C104 H96 N20 O12 P4 Pd4 -","4","1","","Gayakhe, Vijay; Ardhapure, Ajaykumar; Kapdi, Anant R.; Sanghvi, Yogesh S.; Serrano, Jose Luis; García, Luis; Pérez, Jose; García, Joaquím; Sánchez, Gregorio; Fischer, Christian; Schulzke, Carola","Water-Soluble Pd-Imidate Complexes: Broadly Applicable Catalysts for the Synthesis of Chemically Modified Nucleosides via Pd-Catalyzed Cross-Coupling.","The Journal of organic chemistry","2016","81","7","2713","2729","10.1021/acs.joc.5b02475","","","0.71073","MoKα","","0.0459","0.0338","","","0.0734","0.078","","","","","","0.995","","","","has coordinates","181367","2020-10-21","18:00:00",""
"4031966","6.3928","0.0013","14.653","0.003","16.301","0.003","90","","90","","90","","1527","0.5","170","2","170","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H16 N2 O7 -","- C16 H16 N2 O7 -","- C64 H64 N8 O28 -","4","1","","Gayakhe, Vijay; Ardhapure, Ajaykumar; Kapdi, Anant R.; Sanghvi, Yogesh S.; Serrano, Jose Luis; García, Luis; Pérez, Jose; García, Joaquím; Sánchez, Gregorio; Fischer, Christian; Schulzke, Carola","Water-Soluble Pd-Imidate Complexes: Broadly Applicable Catalysts for the Synthesis of Chemically Modified Nucleosides via Pd-Catalyzed Cross-Coupling.","The Journal of organic chemistry","2016","81","7","2713","2729","10.1021/acs.joc.5b02475","","","0.71073","MoKα","","0.0573","0.0437","","","0.1114","0.134","","","","","","1.14","","","","has coordinates","181368","2020-10-21","18:00:00",""
"4031967","14.795","0.0003","14.795","0.0003","7.3373","0.0002","90","","90","","90","","1606.08","0.06","296","2","296","2","","","","","","","","5","P 42","P 4c","77","","","","- C14 H25 N O4 S -","- C14 H25 N O4 S -","- C56 H100 N4 O16 S4 -","4","1","","Dowling, Matthew S.; Fernando, Dilinie P.; Hou, Jie; Liu, Bo; Smith, Aaron C.","Two Scalable Syntheses of (S)-2-Methylazetidine.","The Journal of organic chemistry","2016","81","7","3031","3036","10.1021/acs.joc.6b00149","","","1.54178","CuKα","","0.0458","0.039","","","0.0981","0.1018","","","","","","1.071","","","","has coordinates","181369","2020-10-21","18:00:00",""
"4031968","6.0845","0.0018","7.566","0.002","25.221","0.007","88.323","0.005","89.896","0.005","86.032","0.005","1157.8","0.6","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C14 H9 Br N2 -","- C14 H9 Br N2 -","- C56 H36 Br4 N8 -","4","2","","Xu, Cheng; Jia, Feng-Cheng; Zhou, Zhi-Wen; Zheng, Si-Jie; Li, Han; Wu, An-Xin","Copper-Catalyzed Multicomponent Domino Reaction of 2-Bromoaldehydes, Benzylamines, and Sodium Azide for the Assembly of Quinazoline Derivatives.","The Journal of organic chemistry","2016","81","7","3000","3006","10.1021/acs.joc.5b02843","","","0.71073","MoKα","","0.0576","0.0401","","","0.1193","0.1286","","","","","","0.924","","","","has coordinates","181370","2020-10-21","18:00:00",""
"4031969","11.3311","0.0008","19.2315","0.0011","10.608","0.0007","90","","92.046","0.006","90","","2310.2","0.3","293","2","293.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C44 H32 N4 O15 -","- C44 H32 N4 O15 -","- C88 H64 N8 O30 -","2","0.5","","Ling, Fei; Wan, Yanjun; Wang, Dongxu; Ma, Cheng","Coupling and Decoupling Approach Enables Palladium-Catalyzed Aerobic Bimolecular Carbocyclizations of Enediynes to 2,6-Diacylnaphthalenes.","The Journal of organic chemistry","2016","81","7","2770","2781","10.1021/acs.joc.5b02870","","","0.71073","MoKα","","0.1051","0.0755","","","0.235","0.2661","","","","","","1.091","","","","has coordinates,has disorder","181371","2020-10-21","18:00:00",""
"4031970","10.929","0.0003","11.0375","0.0003","11.7658","0.0004","106.803","0.001","99.982","0.001","116.422","0.001","1138.79","0.06","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H24 Br N O5 -","- C24 H24 Br N O5 -","- C48 H48 Br2 N2 O10 -","2","1","","Weng, Jian-Quan; Fan, Ren-Jie; Deng, Qiao-Man; Liu, Ren-Rong; Gao, Jian-Rong; Jia, Yi-Xia","Enantioselective Friedel-Crafts Alkylation Reactions of 3-Substituted Indoles with Electron-Deficient Alkenes.","The Journal of organic chemistry","2016","81","7","3023","3030","10.1021/acs.joc.6b00123","","","0.71073","MoKα","","0.0582","0.0476","","","0.136","0.1461","","","","","","1.03","","","","has coordinates","181372","2020-10-21","18:00:00",""
"4031971","9.6284","0.00013","9.6284","0.00013","34.587","0.0007","90","","90","","90","","3206.43","0.09","173","2","173","2","","","","","","","","5","P 43 21 2","P 4nw 2abw","96","","","","- C17 H15 Br N2 O2 -","- C17 H15 Br N2 O2 -","- C136 H120 Br8 N16 O16 -","8","1","","Weng, Jian-Quan; Fan, Ren-Jie; Deng, Qiao-Man; Liu, Ren-Rong; Gao, Jian-Rong; Jia, Yi-Xia","Enantioselective Friedel-Crafts Alkylation Reactions of 3-Substituted Indoles with Electron-Deficient Alkenes.","The Journal of organic chemistry","2016","81","7","3023","3030","10.1021/acs.joc.6b00123","","","1.54184","CuKα","","0.0388","0.0377","","","0.0999","0.1007","","","","","","1.068","","","","has coordinates","181373","2020-10-21","18:00:00",""
"4031972","21.203","0.004","5.8478","0.0009","20.613","0.004","90","","118.361","0.012","90","","2249.1","0.7","296","2","296","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C24 H25 Cl N2 O4 -","- C24 H25 Cl N2 O4 -","- C96 H100 Cl4 N8 O16 -","4","1","","Liu, Hua-Chao; Tao, Hai-Yan; Cong, Hengjiang; Wang, Chun-Jiang","Silver(I)-Catalyzed Atroposelective Desymmetrization of N-Arylmaleimide via 1,3-Dipolar Cycloaddition of Azomethine Ylides: Access to Octahydropyrrolo[3,4-c]pyrrole Derivatives.","The Journal of organic chemistry","2016","81","9","3752","3760","10.1021/acs.joc.6b00396","","","1.54178","CuKα","","0.0652","0.0593","","","0.1559","0.1624","","","","","","1.074","","","","has coordinates","183592","2020-10-21","18:00:00",""
"4031973","8.6709","0.0009","12.9435","0.0016","17.587","0.002","90","","90","","90","","1973.8","0.4","120","2","120","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C25 H26 O3 -","- C25 H25 O3 -","- C100 H100 O12 -","4","1","","Cinar, M. Emin; Engelen, Bernward; Panthöfer, Martin; Deiseroth, Hans-Jörg; Schlirf, Jens; Schmittel, Michael","Scope and mechanism of the highly stereoselective metal-mediated domino aldol reactions of enolates with aldehydes.","Beilstein journal of organic chemistry","2016","12","","813","824","10.3762/bjoc.12.80","","","0.71069","MoKα","","0.0537","0.047","","","0.119","0.1243","","","","","","1.048","","","","has coordinates","185004","2020-10-21","18:00:00",""
"4031974","10.032","0.002","18.5","0.004","9.118","0.002","90","","109.47","0.03","90","","1595.5","0.7","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C19 H26 O3 -","- C19 H26 O3 -","- C76 H104 O12 -","4","1","","Cinar, M. Emin; Engelen, Bernward; Panthöfer, Martin; Deiseroth, Hans-Jörg; Schlirf, Jens; Schmittel, Michael","Scope and mechanism of the highly stereoselective metal-mediated domino aldol reactions of enolates with aldehydes.","Beilstein journal of organic chemistry","2016","12","","813","824","10.3762/bjoc.12.80","","","0.71069","MoKα","","0.0709","0.0456","","","0.1225","0.1341","","","","","","1.029","","","","has coordinates","185004","2020-10-21","18:00:00",""
"4031975","11.63996","0.00006","22.90211","0.00013","14.66629","0.00006","90","","92.3283","0.0004","90","","3906.51","0.03","120","1","120","1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C34 H39 Cl8 N2 P Pd -","- C34 H39 Cl8 N2 P Pd -","- C136 H156 Cl32 N8 P4 Pd4 -","4","1","","Vasilenko, Vladislav; Roth, Torsten; Blasius, Clemens K.; Intorp, Sebastian N.; Wadepohl, Hubert; Gade, Lutz H.","A modular approach to neutral P,N-ligands: synthesis and coordination chemistry.","Beilstein journal of organic chemistry","2016","12","","846","853","10.3762/bjoc.12.83","","x-ray","1.54184","CuKα","","0.0364","0.0351","","","0.085","0.0859","","","","","","1.058","","","","has coordinates","185003","2020-10-21","18:00:00",""
"4031976","11.291","0.006","13.841","0.007","21.603","0.01","82.724","0.008","80.839","0.013","87.563","0.012","3305","3","100","2","100","1","","","","","","","","8","P -1","-P 1","2","","","","- C66.5 H72 B2 Cl4 F8 N4 P2 Pd2 -","- C66.5 H72 B2 Cl4 F8 N4 P2 Pd2 -","- C133 H144 B4 Cl8 F16 N8 P4 Pd4 -","2","1","","Vasilenko, Vladislav; Roth, Torsten; Blasius, Clemens K.; Intorp, Sebastian N.; Wadepohl, Hubert; Gade, Lutz H.","A modular approach to neutral P,N-ligands: synthesis and coordination chemistry.","Beilstein journal of organic chemistry","2016","12","","846","853","10.3762/bjoc.12.83","","x-ray","0.71073","MoKα","","0.0683","0.0465","","","0.1082","0.1188","","","","","","1.024","","","","has coordinates,has disorder","185003","2020-10-21","18:00:00",""
"4031977","12.435","0.005","15.735","0.007","19.553","0.008","89.234","0.011","89.261","0.014","89.37","0.009","3825","3","100","2","100","1","","","","","","","","8","P -1","-P 1","2","","","","- C40 H47 B Cl2 F4 N2 P Rh -","- C40 H47 B Cl2 F4 N2 P Rh -","- C160 H188 B4 Cl8 F16 N8 P4 Rh4 -","4","2","","Vasilenko, Vladislav; Roth, Torsten; Blasius, Clemens K.; Intorp, Sebastian N.; Wadepohl, Hubert; Gade, Lutz H.","A modular approach to neutral P,N-ligands: synthesis and coordination chemistry.","Beilstein journal of organic chemistry","2016","12","","846","853","10.3762/bjoc.12.83","","x-ray","0.71073","MoKα","","0.0617","0.0399","","","0.0891","0.099","","","","","","1.021","","","","has coordinates,has disorder","185003","2020-10-21","18:00:00",""
"4031978","10.903","0.004","17.768","0.007","24.913","0.009","107.751","0.013","96.045","0.009","96.26","0.013","4520","3","100","2","100","1","","","","","","","","8","P -1","-P 1","2","","","","- C49 H62 B Cl F4 N2 P Rh -","- C49 H62 B Cl F4 N2 P Rh -","- C196 H248 B4 Cl4 F16 N8 P4 Rh4 -","4","2","","Vasilenko, Vladislav; Roth, Torsten; Blasius, Clemens K.; Intorp, Sebastian N.; Wadepohl, Hubert; Gade, Lutz H.","A modular approach to neutral P,N-ligands: synthesis and coordination chemistry.","Beilstein journal of organic chemistry","2016","12","","846","853","10.3762/bjoc.12.83","","x-ray","0.71073","MoKα","","0.0634","0.0427","","","0.103","0.1155","","","","","","1.029","","","","has coordinates,has disorder","185003","2020-10-21","18:00:00",""
"4031979","12.47669","0.00019","15.7562","0.0002","19.5579","0.0003","89.2424","0.0012","89.4178","0.0012","89.6008","0.0012","3844.17","0.1","120","1","120","1","","","","","","","","8","P -1","-P 1","2","","","","- C40 H47 B Cl2 F4 Ir N2 P -","- C40 H47 B Cl2 F4 Ir N2 P -","- C160 H188 B4 Cl8 F16 Ir4 N8 P4 -","4","2","","Vasilenko, Vladislav; Roth, Torsten; Blasius, Clemens K.; Intorp, Sebastian N.; Wadepohl, Hubert; Gade, Lutz H.","A modular approach to neutral P,N-ligands: synthesis and coordination chemistry.","Beilstein journal of organic chemistry","2016","12","","846","853","10.3762/bjoc.12.83","","x-ray","0.71073","MoKα","","0.062","0.0511","","","0.1092","0.1132","","","","","","1.196","","","","has coordinates,has disorder","185003","2020-10-21","18:00:00",""
"4031980","10.95376","0.00006","17.76136","0.00011","24.90835","0.00015","107.762","0.0005","95.9466","0.0005","96.1981","0.0005","4540.08","0.05","120","1","120","1","","","","","","","","8","P -1","-P 1","2","","","","- C49 H62 B Cl F4 Ir N2 P -","- C49 H62 B Cl F4 Ir N2 P -","- C196 H248 B4 Cl4 F16 Ir4 N8 P4 -","4","2","","Vasilenko, Vladislav; Roth, Torsten; Blasius, Clemens K.; Intorp, Sebastian N.; Wadepohl, Hubert; Gade, Lutz H.","A modular approach to neutral P,N-ligands: synthesis and coordination chemistry.","Beilstein journal of organic chemistry","2016","12","","846","853","10.3762/bjoc.12.83","","x-ray","0.71073","MoKα","","0.0549","0.046","","","0.0716","0.0739","","","","","","1.225","","","","has coordinates,has disorder","185003","2020-10-21","18:00:00",""
"4031981","11.539","0.004","11.74","0.004","16.334","0.006","101.867","0.01","93.026","0.007","94.659","0.006","2152.8","1.3","100","2","100","1","","","","","","","","9","P -1","-P 1","2","","","","- C42.5 H52 B Cl3 F4 I Ir N2 P -","- C42 H50 B Cl2 F4 I Ir N2 P -","- C84 H100 B2 Cl4 F8 I2 Ir2 N4 P2 -","2","1","","Vasilenko, Vladislav; Roth, Torsten; Blasius, Clemens K.; Intorp, Sebastian N.; Wadepohl, Hubert; Gade, Lutz H.","A modular approach to neutral P,N-ligands: synthesis and coordination chemistry.","Beilstein journal of organic chemistry","2016","12","","846","853","10.3762/bjoc.12.83","","x-ray","0.71073","MoKα","","0.02","0.0186","","","0.0463","0.047","","","","","","1.052","","","","has coordinates","185003","2020-10-21","18:00:00",""
"4031982","17.413","0.009","17.673","0.008","19.974","0.01","90","","90","","90","","6147","5","100","2","100","1","","","","","","","","8","P b c a","-P 2ac 2ab","61","","","","- C30 H35 F3 N O3 P Pd S -","- C30 H35 F3 N O3 P Pd S -","- C240 H280 F24 N8 O24 P8 Pd8 S8 -","8","1","","Vasilenko, Vladislav; Roth, Torsten; Blasius, Clemens K.; Intorp, Sebastian N.; Wadepohl, Hubert; Gade, Lutz H.","A modular approach to neutral P,N-ligands: synthesis and coordination chemistry.","Beilstein journal of organic chemistry","2016","12","","846","853","10.3762/bjoc.12.83","","x-ray","0.71073","MoKα","","0.0569","0.0393","","","0.0765","0.0929","","","","","","1.196","","","","has coordinates","185003","2020-10-21","18:00:00",""
"4031983","12.941","0.005","12.948","0.006","19.111","0.008","90","","106.643","0.01","90","","3068","2","100","2","100","1","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C33 H40 B F4 N P Rh -","- C33 H40 B F4 N P Rh -","- C132 H160 B4 F16 N4 P4 Rh4 -","4","1","","Vasilenko, Vladislav; Roth, Torsten; Blasius, Clemens K.; Intorp, Sebastian N.; Wadepohl, Hubert; Gade, Lutz H.","A modular approach to neutral P,N-ligands: synthesis and coordination chemistry.","Beilstein journal of organic chemistry","2016","12","","846","853","10.3762/bjoc.12.83","","x-ray","0.71073","MoKα","","0.0288","0.0245","","","0.0596","0.0629","","","","","","1.047","","","","has coordinates","185003","2020-10-21","18:00:00",""
"4031984","13.001","0.006","18.967","0.008","13.378","0.005","90","","94.921","0.009","90","","3287","2","100","2","100","1","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C34 H40 F3 Ir N O3 P S -","- C34 H40 F3 Ir N O3 P S -","- C136 H160 F12 Ir4 N4 O12 P4 S4 -","4","1","","Vasilenko, Vladislav; Roth, Torsten; Blasius, Clemens K.; Intorp, Sebastian N.; Wadepohl, Hubert; Gade, Lutz H.","A modular approach to neutral P,N-ligands: synthesis and coordination chemistry.","Beilstein journal of organic chemistry","2016","12","","846","853","10.3762/bjoc.12.83","","x-ray","0.71073","MoKα","","0.0223","0.0181","","","0.0397","0.0412","","","","","","1.047","","","","has coordinates","185003","2020-10-21","18:00:00",""
"4031985","17.335","0.007","9.113","0.004","25.21","0.011","90","","101.562","0.009","90","","3902","3","100","2","100","1","","","","","","","","10","P 1 21/n 1","-P 2yn","14","","","","- C37 H44 Cl3 F3 I Ir N O3 P S -","- C37 H44 Cl3 F3 I Ir N O3 P S -","- C148 H176 Cl12 F12 I4 Ir4 N4 O12 P4 S4 -","4","1","","Vasilenko, Vladislav; Roth, Torsten; Blasius, Clemens K.; Intorp, Sebastian N.; Wadepohl, Hubert; Gade, Lutz H.","A modular approach to neutral P,N-ligands: synthesis and coordination chemistry.","Beilstein journal of organic chemistry","2016","12","","846","853","10.3762/bjoc.12.83","","x-ray","0.71073","MoKα","","0.0321","0.0252","","","0.059","0.062","","","","","","1.026","","","","has coordinates","185003","2020-10-21","18:00:00",""
"4031986","9.78588","0.00012","14.13707","0.00016","20.6977","0.0003","105.617","0.0011","96.468","0.0011","104.361","0.001","2621.66","0.06","120","1","120","1","","","","","","","","8","P 1","P 1","1","","","","- C37 H40 B Cl2 F4 N P Rh -","- C36.6667 H39.3333 B Cl1.33333 F4 N P Rh -","- C110 H118 B3 Cl4 F12 N3 P3 Rh3 -","3","3","","Vasilenko, Vladislav; Roth, Torsten; Blasius, Clemens K.; Intorp, Sebastian N.; Wadepohl, Hubert; Gade, Lutz H.","A modular approach to neutral P,N-ligands: synthesis and coordination chemistry.","Beilstein journal of organic chemistry","2016","12","","846","853","10.3762/bjoc.12.83","","x-ray","0.71073","MoKα","","0.0542","0.0447","","","0.09","0.0959","","","","","","1.028","","","","has coordinates","185003","2020-10-21","18:00:00",""
"4031987","11.722","0.002","6.0787","0.0012","12.996","0.003","90","","114.44","0.03","90","","843","0.4","113","2","113","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C18 H22 O6 -","- C18 H22 O6 -","- C36 H44 O12 -","2","1","","Qin, Zifeng; Liu, Wei; Wang, Danyang; He, Zhengjie","Phosphine-Catalyzed (4 + 1) Annulation of o-Hydroxyphenyl and o-Aminophenyl Ketones with Allylic Carbonates: Syntheses and Transformations of 3-Hydroxy-2,3-Disubstituted Dihydrobenzofurans and Indolines.","The Journal of organic chemistry","2016","81","11","4690","4700","10.1021/acs.joc.6b00596","","","0.71073","MoKα","","0.0555","0.0422","","","0.1101","0.1135","","","","","","1.082","","","","has coordinates","183590","2020-10-21","18:00:00",""
"4031988","10.881","0.002","19.835","0.004","11.526","0.005","90","","118.23","0.02","90","","2191.7","1.2","113","2","113","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C21 H26 F N O6 -","- C21 H26 F N O6 -","- C84 H104 F4 N4 O24 -","4","1","","Qin, Zifeng; Liu, Wei; Wang, Danyang; He, Zhengjie","Phosphine-Catalyzed (4 + 1) Annulation of o-Hydroxyphenyl and o-Aminophenyl Ketones with Allylic Carbonates: Syntheses and Transformations of 3-Hydroxy-2,3-Disubstituted Dihydrobenzofurans and Indolines.","The Journal of organic chemistry","2016","81","11","4690","4700","10.1021/acs.joc.6b00596","","","0.71073","MoKα","","0.0615","0.0419","","","0.084","0.0914","","","","","","1.079","","","","has coordinates","183590","2020-10-21","18:00:00",""
"4031989","14.2112","0.0004","17.5594","0.0007","19.6273","0.0007","90","","90","","90","","4897.8","0.3","150","2","150","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C56 H57 F6 O P3 Ru -","- C56 H57 F6 O P3 Ru -","- C224 H228 F24 O4 P12 Ru4 -","4","1","","Ma, Hao-Wei; Chen, Pei-Min; Lo, Ji-Xian; Lin, Ying-Chih; Huang, Shou-Ling; Chen, Chi-Ren; Chia, Pi-Yeh","Domino Cyclization of 1,n-Enynes (n = 7, 8, 9) Giving Derivatives of Pyrane, Chromene, Fluorene, Phenanthrene and Dibenzo[7]annulene by Ruthenium Complexes.","The Journal of organic chemistry","2016","81","11","4494","4505","10.1021/acs.joc.6b00260","","","0.71073","MoKα","","0.0507","0.0429","","","0.0993","0.1045","","","","","","1.04","","","","has coordinates,has disorder","183591","2020-10-21","18:00:00",""
"4031990","25.328","0.005","6.6951","0.0013","10.795","0.002","90","","90","","90","","1830.5","0.6","150","2","150","2","","","","","","","","7","P n m a","-P 2ac 2n","62","","","","- C14 H19 B F4 N4 O2 Pd -","- C14 H19 B F4 N4 O2 Pd -","- C56 H76 B4 F16 N16 O8 Pd4 -","4","0.5","","Nishikata, Takashi; Abela, Alexander R.; Huang, Shenlin; Lipshutz, Bruce H.","Cationic Pd(II)-catalyzed C-H activation/cross-coupling reactions at room temperature: synthetic and mechanistic studies.","Beilstein journal of organic chemistry","2016","12","","1040","1064","10.3762/bjoc.12.99","","","0.71073","MoKα","","0.0455","0.0392","","","0.0989","0.101","","","","","","1.345","","","","has coordinates","185005","2020-10-21","18:00:00",""
"4031991","5.8864","0.0003","9.254","0.0006","12.6617","0.0007","104.549","0.002","95.9357","0.0014","105.233","0.0015","633.46","0.06","120","2","120","2","","","","","","","","5","P 1","P 1","1","","","","- C26 H41 N O4 S -","- C26 H41 N O4 S -","- C26 H41 N O4 S -","1","1","","Trost, Barry M.; Ryan, Michael C.; Rao, Meera","Chiral cyclopentadienylruthenium sulfoxide catalysts for asymmetric redox bicycloisomerization.","Beilstein journal of organic chemistry","2016","12","","1136","1152","10.3762/bjoc.12.110","","","1.54184","CuKα","","0.025","0.0249","","","0.0627","0.0628","","","","","","1.079","","","","has coordinates","186266","2020-10-21","18:00:00",""
"4031992","11.24141","0.00073","3.94441","0.00025","14.83809","0.00088","90","","99.452","0.0024","90","","649","0.07","300","","300","","","","","","","","","6","P 1 2/c 1","-P 2yc","13","","","","- C4 H3 N2 O2 S Tl -","- C4 H3 N2 O2 S Tl -","- C16 H12 N8 O8 S4 Tl4 -","4","1","","N.N. Golovnev; M.S. Molokeev","Crystal structure of thalium(I) 2-thiobarbiturate","Russian Journal of Inorganic Chemistry","2016","61","4","463","467","10.1134/S0036023616040100","powder diffraction","x-ray","1.5406","CuKα~1~~2~","","","","","","","","","1.379","1.452","","","","","","","has coordinates,has Fobs","205493","2020-10-21","18:00:00",""
"4031993","29.279","0.002","9.9611","0.0005","15.2419","0.0012","90","","96.311","0.006","90","","4418.4","0.5","193","2","193","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C30 H21 N O2 -","- C30 H21 N O2 -","- C240 H168 N8 O16 -","8","1","","Pusch, Stefan; Kowalczyk, Danuta; Opatz, Till","A Photoinduced Cobalt-Catalyzed Synthesis of Pyrroles through in Situ-Generated Acylazirines.","The Journal of organic chemistry","2016","81","10","4170","4178","10.1021/acs.joc.6b00511","","","0.71073","MoKα","","0.0886","0.0415","","","0.0858","0.1003","","","","","","0.936","","","","has coordinates","183542","2020-10-21","18:00:00",""
"4031994","6.3347","0.0002","12.7819","0.0004","22.8824","0.0007","90","","90","","90","","1852.78","0.1","296","","296","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","XFL-13-32","","","- C16 H27 F2 N O7 S -","- C16 H27 F2 N O7 S -","- C64 H108 F8 N4 O28 S4 -","4","1","","Liang, Xiaofei; Gopalaswamy, Ramesh; Navas, 3rd, Frank; Toone, Eric J.; Zhou, Pei","A Scalable Synthesis of the Difluoromethyl-allo-threonyl Hydroxamate-Based LpxC Inhibitor LPC-058.","The Journal of organic chemistry","2016","81","10","4393","4398","10.1021/acs.joc.6b00589","","","0.71073","MoKα","","0.0379","0.0303","","","0.0676","0.0708","","","","","","1.024","","","","has coordinates","183543","2020-10-21","18:00:00",""
"4031995","8.308","0.002","12.155","0.003","16.137","0.004","90","","90","","90","","1629.6","0.7","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C19 H17 N3 O3 -","- C19 H17 N3 O3 -","- C76 H68 N12 O12 -","4","1","","Zheng, Yin; Cui, Lei; Wang, Youming; Zhou, Zhenghong","Stereocontrolled Construction of Tetrahydropyrano[2,3-c]pyrazole Scaffold via an Organocatalyzed Formal [3 + 3] Annulation.","The Journal of organic chemistry","2016","81","10","4340","4346","10.1021/acs.joc.6b00196","","","1.54187","CuKα","","0.0245","0.0244","","","0.0661","0.0662","","","","","","1.051","","","","has coordinates","183544","2020-10-21","18:00:00",""
"4031996","20.1569","0.0013","7.495","0.0006","13.1446","0.0005","90","","95.77","0.007","90","","1975.8","0.2","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C23 H23 N O4 -","- C23 H23 N O4 -","- C92 H92 N4 O16 -","4","1","","Majee, Debashis; Biswas, Soumen; Mobin, Shaikh M.; Samanta, Sampak","Access to 4,6-Diarylpicolinates via a Domino Reaction of Cyclic Sulfamidate Imines with Morita-Baylis-Hillman Acetates of Nitroolefins/Nitrodienes.","The Journal of organic chemistry","2016","81","10","4378","4385","10.1021/acs.joc.6b00472","","","0.71073","MoKα","","0.0674","0.0586","","","0.2271","0.2411","","","","","","0.773","","","","has coordinates","183545","2020-10-21","18:00:00",""
"4031997","33.3","0.1","5.412","0.005","15","0.03","90","","91.1","0.5","90","","2703","10","293","2","293","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C28 H40 N2 O5 -","- C28 H40 N2 O5 -","- C112 H160 N8 O20 -","4","1","","Oliveira Udry, Guillermo A.; Repetto, Evangelina; Vega, Daniel R.; Varela, Oscar","Synthesis of Enantiomeric Polyhydroxyalkylpyrrolidines from 1,3-Dipolar Cycloadducts. Evaluation as Inhibitors of a β-Galactofuranosidase.","The Journal of organic chemistry","2016","81","10","4179","4189","10.1021/acs.joc.6b00514","","","0.71073","MoKα","","0.0927","0.0526","","","0.1307","0.1441","","","","","","1.013","","","","has coordinates","183546","2020-10-21","18:00:00",""
"4031998","5.5207","0.0006","12.938","0.0012","17.1775","0.0013","94.761","0.007","93.119","0.007","97.721","0.008","1208.9","0.2","293","2","293","2","","","","","","","","4","P 1","P 1","1","","","","- C26 H37 N O5 -","- C26 H37 N O5 -","- C52 H74 N2 O10 -","2","2","","Oliveira Udry, Guillermo A.; Repetto, Evangelina; Vega, Daniel R.; Varela, Oscar","Synthesis of Enantiomeric Polyhydroxyalkylpyrrolidines from 1,3-Dipolar Cycloadducts. Evaluation as Inhibitors of a β-Galactofuranosidase.","The Journal of organic chemistry","2016","81","10","4179","4189","10.1021/acs.joc.6b00514","","","0.71073","MoKα","","0.1027","0.0729","","","0.1612","0.1889","","","","","","1.03","","","","has coordinates","183546","2020-10-21","18:00:00",""
"4031999","14.3541","0.0008","12.9841","0.0009","23.2417","0.0013","90","","90","","90","","4331.7","0.5","295.06","0.1","295.06","0.1","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C23 H26 F2 N2 O2 -","- C23 H26 F2 N2 O2 -","- C184 H208 F16 N16 O16 -","8","1","","Wang, Chao; Chen, Qiao; Guo, Quanping; Liu, Hong; Xu, Zhaoqing; Liu, Yubing; Wang, Mengran; Wang, Rui","Silver-Catalyzed Difluoroamidation of Activated Alkenes for the Construction of Difluorinated 3,3-Disubstituted Oxindoles.","The Journal of organic chemistry","2016","81","13","5782","5788","10.1021/acs.joc.6b01013","","x-ray","0.71073","MoKα","","0.2101","0.0951","","","0.2415","0.3318","","","","","","1.002","","","","has coordinates","184936","2020-10-21","18:00:00",""
"4032000","20.7774","0.0014","13.3315","0.0005","17.7511","0.0011","90","","114.656","0.008","90","","4468.7","0.5","140","2","140","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C26 H29 N O4 -","- C26 H29 N O4 -","- C208 H232 N8 O32 -","8","2","","Zhurkin, Fedor E.; Hu, Xile","γ-Selective Allylation of (E)-Alkenylzinc Iodides Prepared by Reductive Coupling of Arylacetylenes with Alkyl Iodides.","The Journal of organic chemistry","2016","81","13","5795","5802","10.1021/acs.joc.6b01306","","","0.71073","MoKα","","0.104","0.0603","","","0.1352","0.1574","","","","","","1.024","","","","has coordinates,has disorder","184152","2020-10-21","18:00:00",""
"4032001","12.2536","0.0007","11.1077","0.0006","19.8629","0.0012","90","","96.9","0.002","90","","2683.9","0.3","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C29 H26 N2 O9 -","- C29 H26 N2 O9 -","- C116 H104 N8 O36 -","4","1","","Mukherjee, Prasun; Das, Asish R.","Diastereoselective Synthesis of Structurally and Stereochemically Diversified 2-Oxa-7-azabicyclo[4.1.0]hept-3-enyl Carboxylates and Their Potential Application toward the Synthesis of Functionalized Pyranooxazolone and Pyrrole Derivatives through Skeletal Transformations.","The Journal of organic chemistry","2016","81","13","5513","5524","10.1021/acs.joc.6b00849","","","0.71073","MoKα","","0.0888","0.0588","","","0.1762","0.2192","","","","","","0.838","","","","has coordinates","184153","2020-10-21","18:00:00",""
"4032002","10.3945","0.0006","14.251","0.0008","10.8994","0.0005","90","","104.558","0.002","90","","1562.71","0.15","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C17 H16 N2 O3 -","- C17 H16 N2 O3 -","- C68 H64 N8 O12 -","4","2","","Mukherjee, Prasun; Das, Asish R.","Diastereoselective Synthesis of Structurally and Stereochemically Diversified 2-Oxa-7-azabicyclo[4.1.0]hept-3-enyl Carboxylates and Their Potential Application toward the Synthesis of Functionalized Pyranooxazolone and Pyrrole Derivatives through Skeletal Transformations.","The Journal of organic chemistry","2016","81","13","5513","5524","10.1021/acs.joc.6b00849","","","0.71073","MoKα","","0.0905","0.0538","","","0.1613","0.2075","","","","","","0.83","","","","has coordinates","184154","2020-10-21","18:00:00",""
"4032003","9.3748","0.001","14.9234","0.0016","17.0073","0.0018","90","","105.626","0.002","90","","2291.4","0.4","120","2","120","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C26 H21 Br Cl N3 O4 -","- C26 H21 Br Cl N3 O4 -","- C104 H84 Br4 Cl4 N12 O16 -","4","1","","Pozharskii, Alexander F.; Ozeryanskii, Valery A.; Mikshiev, Vladimir Y.; Antonov, Alexander S.; Chernyshev, Anatoly V.; Metelitsa, Anatoly V.; Borodkin, Gennady S.; Fedik, Nikita S.; Dyablo, Olga V.","10-Dimethylamino Derivatives of Benzo[h]quinoline and Benzo[h]quinazolines: Fluorescent Proton Sponge Analogues with Opposed peri-NMe2/-N═ Groups. How to Distinguish between Proton Sponges and Pseudo-Proton Sponges.","The Journal of organic chemistry","2016","81","13","5574","5587","10.1021/acs.joc.6b00917","","","0.71073","MoKα","","0.0891","0.0476","","","0.0861","0.0996","","","","","","1.014","","","","has coordinates","184155","2020-10-21","18:00:00",""
"4032004","6.2123","0.0009","11.7333","0.0017","9.8071","0.0014","90","","103.073","0.003","90","","696.32","0.17","120","2","120","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C15 H15 B F4 N2 -","- C15 H15 B F4 N2 -","- C30 H30 B2 F8 N4 -","2","1","","Pozharskii, Alexander F.; Ozeryanskii, Valery A.; Mikshiev, Vladimir Y.; Antonov, Alexander S.; Chernyshev, Anatoly V.; Metelitsa, Anatoly V.; Borodkin, Gennady S.; Fedik, Nikita S.; Dyablo, Olga V.","10-Dimethylamino Derivatives of Benzo[h]quinoline and Benzo[h]quinazolines: Fluorescent Proton Sponge Analogues with Opposed peri-NMe2/-N═ Groups. How to Distinguish between Proton Sponges and Pseudo-Proton Sponges.","The Journal of organic chemistry","2016","81","13","5574","5587","10.1021/acs.joc.6b00917","","","0.71073","MoKα","","0.0556","0.0461","","","0.0951","0.1007","","","","","","1","","","","has coordinates","184156","2020-10-21","18:00:00",""
"4032005","9.464","0.004","9.749","0.004","24.118","0.009","89.146","0.006","89.296","0.006","89.079","0.006","2224.5","1.6","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H22 Cl N3 O4 -","- C26 H22 Cl N3 O4 -","- C104 H88 Cl4 N12 O16 -","4","2","","Pozharskii, Alexander F.; Ozeryanskii, Valery A.; Mikshiev, Vladimir Y.; Antonov, Alexander S.; Chernyshev, Anatoly V.; Metelitsa, Anatoly V.; Borodkin, Gennady S.; Fedik, Nikita S.; Dyablo, Olga V.","10-Dimethylamino Derivatives of Benzo[h]quinoline and Benzo[h]quinazolines: Fluorescent Proton Sponge Analogues with Opposed peri-NMe2/-N═ Groups. How to Distinguish between Proton Sponges and Pseudo-Proton Sponges.","The Journal of organic chemistry","2016","81","13","5574","5587","10.1021/acs.joc.6b00917","","","0.71073","MoKα","","0.1549","0.0954","","","0.2255","0.2539","","","","","","1.126","","","","has coordinates,has disorder","184157","2020-10-21","18:00:00",""
"4032006","10.4681","0.0004","10.6574","0.0005","17.3657","0.0009","90","","90","","90","","1937.36","0.15","298","","297.99","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C24 H20 N2 O2 -","- C24 H20 N2 O2 -","- C96 H80 N8 O8 -","4","1","","Yugandar, S.; Konda, S.; Parameshwarappa, G.; Ila, H.","One-Pot Synthesis of 2,4,5-Trisubstituted Imidazoles via [2 + 2 + 1] Cycloannulation of 1,3-Bishet(aryl)-monothio-1,3-diketones, α-Substituted Methylamines and Sodium Nitrite through α-Nitrosation of Enaminones.","The Journal of organic chemistry","2016","81","13","5606","5622","10.1021/acs.joc.6b00938","","","0.71073","MoKα","","0.0815","0.0525","","","0.1086","0.1198","","","","","","1.059","","","","has coordinates","184158","2020-10-21","18:00:00",""
"4032007","11.4995","0.0004","11.1353","0.0003","15.3917","0.0005","90","","109.315","0.001","90","","1859.98","0.1","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C21 H19 N3 O3 -","- C21 H19 N3 O3 -","- C84 H76 N12 O12 -","4","1","","Yugandar, S.; Konda, S.; Parameshwarappa, G.; Ila, H.","One-Pot Synthesis of 2,4,5-Trisubstituted Imidazoles via [2 + 2 + 1] Cycloannulation of 1,3-Bishet(aryl)-monothio-1,3-diketones, α-Substituted Methylamines and Sodium Nitrite through α-Nitrosation of Enaminones.","The Journal of organic chemistry","2016","81","13","5606","5622","10.1021/acs.joc.6b00938","","","0.71073","MoKα","","0.0856","0.0701","","","0.1793","0.2163","","","","","","1.201","","","","has coordinates","184158","2020-10-21","18:00:00",""
"4032008","13.195","0.005","23.759","0.005","24.771","0.005","90","0.005","90","0.005","90","0.005","7766","4","100","2","100","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C85 H96 Cl2 Mg2 N10 O2 S -","- C85 H96 Cl2 Mg2 N10 O2 S -","- C340 H384 Cl8 Mg8 N40 O8 S4 -","4","1","","Ikbal, Sk Asif; Dhamija, Avinash; Brahma, Sanfaori; Rath, Sankar Prasad","A Nonempirical Approach for Direct Determination of the Absolute Configuration of 1,2-Diols and Amino Alcohols Using Mg(II)bisporphyrin.","The Journal of organic chemistry","2016","81","13","5440","5449","10.1021/acs.joc.6b00724","","","0.71069","MoKα","","0.0987","0.0631","","","0.1445","0.1679","","","","","","1.01","","","","has coordinates,has disorder","184159","2020-10-21","18:00:00",""
"4032009","13.376","0.002","24.659","0.004","24.538","0.004","90","","90.141","0.003","90","","8094","2","100","2","100","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C177 H209 Cl3 Mg4 N20 O4 S2 -","- C177 H209 Cl3 Mg4 N20 O4 S2 -","- C354 H418 Cl6 Mg8 N40 O8 S4 -","2","1","","Ikbal, Sk Asif; Dhamija, Avinash; Brahma, Sanfaori; Rath, Sankar Prasad","A Nonempirical Approach for Direct Determination of the Absolute Configuration of 1,2-Diols and Amino Alcohols Using Mg(II)bisporphyrin.","The Journal of organic chemistry","2016","81","13","5440","5449","10.1021/acs.joc.6b00724","","","0.71073","MoKα","","0.155","0.0893","","","0.193","0.2391","","","","","","1.012","","","","has coordinates","184160","2020-10-21","18:00:00",""
"4032010","13.6073","0.0011","24.816","0.002","25.86","0.002","90","","90","","90","","8732.4","1.2","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C96 H112 Mg2 N8 O4 S -","- C96 H112 Mg2 N8 O4 S -","- C384 H448 Mg8 N32 O16 S4 -","4","1","","Ikbal, Sk Asif; Dhamija, Avinash; Brahma, Sanfaori; Rath, Sankar Prasad","A Nonempirical Approach for Direct Determination of the Absolute Configuration of 1,2-Diols and Amino Alcohols Using Mg(II)bisporphyrin.","The Journal of organic chemistry","2016","81","13","5440","5449","10.1021/acs.joc.6b00724","","","0.71073","MoKα","","0.0768","0.0579","","","0.1399","0.1522","","","","","","1.047","","","","has coordinates,has disorder","184161","2020-10-21","18:00:00",""
"4032011","22.7449","0.0006","19.7482","0.0006","11.4956","0.0003","90","","115.335","0.001","90","","4666.9","0.2","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C24 H21 B2 F8 N3 -","- C24 H21 B2 F8 N3 -","- C192 H168 B16 F64 N24 -","8","1","","Zhang, Xiaoping; Clennan, Edward L.; Arulsamy, Navamoney; Weber, Rachael; Weber, Jacob","Synthesis, Structure, and Photochemical Behavior of [5]Heli-viologen Isomers.","The Journal of organic chemistry","2016","81","13","5474","5486","10.1021/acs.joc.6b00835","","","0.71073","MoKα","","0.0989","0.0745","","","0.2156","0.2443","","","","","","1.036","","","","has coordinates,has disorder","184162","2020-10-21","18:00:00",""
"4032012","10.1491","0.001","11.4621","0.0011","10.7009","0.001","90","","96.569","0.001","90","","1236.7","0.2","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C13 H15 N O2 -","- C13 H15 N O2 -","- C52 H60 N4 O8 -","4","1","","Zhao, Li-Ming; Zhang, Ai-Li; Zhang, Jie-Huan; Gao, Hua-Shuai; Zhou, Wei","Zinc-Mediated C-3 α-Prenylation of Isatins with Prenyl Bromide: Access to 3-Prenyl-3-hydroxy-2-oxindoles and Its Application.","The Journal of organic chemistry","2016","81","13","5487","5494","10.1021/acs.joc.6b00836","","","0.71073","MoKα","","0.0618","0.0485","","","0.1224","0.1322","","","","","","1.045","","","","has coordinates","184163","2020-10-21","18:00:00",""
"4032013","9.5632","0.0006","6.0365","0.0004","27.2812","0.0017","90","","91.12","0.002","90","","1574.6","0.17","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2,4,6-tris(2-chloropropan-2-yl)-1,3,5-trioxane","","- C12 H21 Cl3 O3 -","- C12 H21 Cl3 O3 -","- C48 H84 Cl12 O12 -","4","1","","Rodig, Michael J.; Snow, Arthur W.; Scholl, Paul; Rea, Simon","Synthesis and Low Temperature Spectroscopic Observation of 1,3,5-Trioxane-2,4,6-Trione: The Cyclic Trimer of Carbon Dioxide.","The Journal of organic chemistry","2016","81","13","5354","5361","10.1021/acs.joc.6b00647","","","0.71073","MoKα","","0.0467","0.0407","","","0.1106","0.1151","","","","","","1.066","","","","has coordinates,has disorder","184164","2020-10-21","18:00:00",""
"4032014","12.5581","0.0009","14.7892","0.0009","14.3839","0.0011","90","","100.361","0.004","90","","2627.9","0.3","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H20 I4 N2 O -","- C24 H20 I4 N2 O -","- C96 H80 I16 N8 O4 -","4","1","","Matsumoto, Shoji; Kikuchi, Shu; Norita, Naoto; Masu, Hyuma; Akazome, Motohiro","Formation of Benzimidazoisoquinolinium and Benzimidazoisoindolinum Cyclic Systems by the Reaction of 2-(2-Alkynylphenyl)benzimidazoles with Iodine and Iodine-Iodine Interaction Including Halogen Bonding in Their Crystal Structures.","The Journal of organic chemistry","2016","81","13","5322","5329","10.1021/acs.joc.6b00607","","","1.54178","CuKα","","0.0971","0.0842","","","0.2457","0.2638","","","","","","1.038","","","","has coordinates,has disorder","184165","2020-10-21","18:00:00",""
"4032015","8.912","0.0003","10.0998","0.0003","38.1226","0.0012","90","","91.106","0.001","90","","3430.75","0.19","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C39.5 H30.5 I2 N4.5 -","- C39.5 H30.5 I2 N4.5 -","- C158 H122 I8 N18 -","4","1","","Matsumoto, Shoji; Kikuchi, Shu; Norita, Naoto; Masu, Hyuma; Akazome, Motohiro","Formation of Benzimidazoisoquinolinium and Benzimidazoisoindolinum Cyclic Systems by the Reaction of 2-(2-Alkynylphenyl)benzimidazoles with Iodine and Iodine-Iodine Interaction Including Halogen Bonding in Their Crystal Structures.","The Journal of organic chemistry","2016","81","13","5322","5329","10.1021/acs.joc.6b00607","","","1.54178","CuKα","","0.0517","0.0514","","","0.1179","0.1181","","","","","","1.258","","","","has coordinates,has disorder","184166","2020-10-21","18:00:00",""
"4032016","9.1058","0.0002","14.9161","0.0004","21.2943","0.0005","90","","92.442","0.001","90","","2889.63","0.12","173","","173","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H20 I4 N2 O -","- C28 H20 I4 N2 O -","- C112 H80 I16 N8 O4 -","4","1","","Matsumoto, Shoji; Kikuchi, Shu; Norita, Naoto; Masu, Hyuma; Akazome, Motohiro","Formation of Benzimidazoisoquinolinium and Benzimidazoisoindolinum Cyclic Systems by the Reaction of 2-(2-Alkynylphenyl)benzimidazoles with Iodine and Iodine-Iodine Interaction Including Halogen Bonding in Their Crystal Structures.","The Journal of organic chemistry","2016","81","13","5322","5329","10.1021/acs.joc.6b00607","","","1.54178","CuKα","","0.0395","0.0392","","","0.1143","0.1146","","","","","","1.055","","","","has coordinates","184167","2020-10-21","18:00:00",""
"4032017","8.7","0.002","15.83","0.004","9.797","0.002","90","","90.484","0.003","90","","1349.2","0.5","173","","173","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C27 H18 I4 N2 -","- C27 H18 I4 N2 -","- C54 H36 I8 N4 -","2","1","","Matsumoto, Shoji; Kikuchi, Shu; Norita, Naoto; Masu, Hyuma; Akazome, Motohiro","Formation of Benzimidazoisoquinolinium and Benzimidazoisoindolinum Cyclic Systems by the Reaction of 2-(2-Alkynylphenyl)benzimidazoles with Iodine and Iodine-Iodine Interaction Including Halogen Bonding in Their Crystal Structures.","The Journal of organic chemistry","2016","81","13","5322","5329","10.1021/acs.joc.6b00607","","","0.71073","MoKα","","0.0389","0.0313","","","0.0936","0.0982","","","","","","1.042","","","","has coordinates","184168","2020-10-21","18:00:00",""
"4032018","8.4577","0.0005","9.7547","0.0006","27.544","0.0016","90","","95.462","0.001","90","","2262.1","0.2","173","","173","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C21 H14 I4 N2 -","- C21 H14 I4 N2 -","- C84 H56 I16 N8 -","4","1","","Matsumoto, Shoji; Kikuchi, Shu; Norita, Naoto; Masu, Hyuma; Akazome, Motohiro","Formation of Benzimidazoisoquinolinium and Benzimidazoisoindolinum Cyclic Systems by the Reaction of 2-(2-Alkynylphenyl)benzimidazoles with Iodine and Iodine-Iodine Interaction Including Halogen Bonding in Their Crystal Structures.","The Journal of organic chemistry","2016","81","13","5322","5329","10.1021/acs.joc.6b00607","","","0.71073","MoKα","","0.0413","0.0323","","","0.0876","0.1007","","","","","","1.121","","","","has coordinates","184169","2020-10-21","18:00:00",""
"4032019","8.3087","0.0002","22.656","0.0007","14.9664","0.0005","90","","97.132","0.001","90","","2795.51","0.14","173","","173","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C28 H20 I4 N2 -","- C28 H20 I4 N2 -","- C112 H80 I16 N8 -","4","1","","Matsumoto, Shoji; Kikuchi, Shu; Norita, Naoto; Masu, Hyuma; Akazome, Motohiro","Formation of Benzimidazoisoquinolinium and Benzimidazoisoindolinum Cyclic Systems by the Reaction of 2-(2-Alkynylphenyl)benzimidazoles with Iodine and Iodine-Iodine Interaction Including Halogen Bonding in Their Crystal Structures.","The Journal of organic chemistry","2016","81","13","5322","5329","10.1021/acs.joc.6b00607","","","1.54178","CuKα","","0.0349","0.0347","","","0.0937","0.094","","","","","","1.063","","","","has coordinates","184170","2020-10-21","18:00:00",""
"4032020","6.968","0.005","8.073","0.005","17.744","0.01","90","","90","","90","","998.1","1.1","158","2","158","2","","","","","","","Julia M. Clay, SIP student in Jed Fisher lab","3","P 21 21 21","P 2ac 2ab","19","PNU-143663 29580-jff-20B","","","- C10 H14 O4 -","- C10 H14 O4 -","- C40 H56 O16 -","4","1","","Clay, Julia M.; Hesek, Dusan; Oliver, Allen G.; Lee, Mijoon; Fisher, Jed F.","Ensemble of Pinanones from the Permanganate Oxidation of Myrtenal.","The Journal of organic chemistry","2016","81","13","5705","5709","10.1021/acs.joc.6b00756","","","0.7107","MoKα","","0.0648","0.0557","","","0.1427","0.1515","","","1.089","","","1.104","","","","has coordinates","184171","2020-10-21","18:00:00",""
"4032021","9.4198","0.0002","9.7083","0.0003","17.1134","0.0004","90","","90","","90","","1565.02","0.07","120","2","120","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C18 H26 O4 -","- C18 H26 O4 -","- C72 H104 O16 -","4","1","","Clay, Julia M.; Hesek, Dusan; Oliver, Allen G.; Lee, Mijoon; Fisher, Jed F.","Ensemble of Pinanones from the Permanganate Oxidation of Myrtenal.","The Journal of organic chemistry","2016","81","13","5705","5709","10.1021/acs.joc.6b00756","","","1.54184","CuKα","","0.0294","0.0289","","","0.0738","0.0744","","","","","","1.066","","","","has coordinates","184171","2020-10-21","18:00:00",""
"4032022","11.2","0.01","13.43","0.01","16.32","0.01","103.467","0.002","94.715","0.003","114.462","0.002","2128","3","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C50 H60 O10 -","- C50 H60 O10 -","- C100 H120 O20 -","2","1","","Della Sala, Paolo; Gaeta, Carmine; Navarra, Wanda; Talotta, Carmen; De Rosa, Margherita; Brancatelli, Giovanna; Geremia, Silvano; Capitelli, Francesco; Neri, Placido","Improved Synthesis of Larger Resorcinarenes.","The Journal of organic chemistry","2016","81","13","5726","5731","10.1021/acs.joc.6b00803","","","0.7","","","0.0655","0.0652","","","0.161","0.1615","","","","","","1.225","","","","has coordinates","184172","2020-10-21","18:00:00",""
"4032023","13.48","0.002","15.127","0.0001","25.768","0.0001","90","","96.565","0.003","90","","5219.9","0.8","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C60 H72 O12 -","- C60 H72 O12 -","- C240 H288 O48 -","4","1","","Della Sala, Paolo; Gaeta, Carmine; Navarra, Wanda; Talotta, Carmen; De Rosa, Margherita; Brancatelli, Giovanna; Geremia, Silvano; Capitelli, Francesco; Neri, Placido","Improved Synthesis of Larger Resorcinarenes.","The Journal of organic chemistry","2016","81","13","5726","5731","10.1021/acs.joc.6b00803","","","0.8","","","0.0591","0.058","","","0.1475","0.1484","","","","","","1.155","","","","has coordinates","184173","2020-10-21","18:00:00",""
"4032024","8.864","0.003","51.49","0.04","7.808","0.003","90","","100.81","0.03","90","","3500","3","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C40 H40 O8 -","- C40 H48 O8 -","- C160 H192 O32 -","4","1","","Della Sala, Paolo; Gaeta, Carmine; Navarra, Wanda; Talotta, Carmen; De Rosa, Margherita; Brancatelli, Giovanna; Geremia, Silvano; Capitelli, Francesco; Neri, Placido","Improved Synthesis of Larger Resorcinarenes.","The Journal of organic chemistry","2016","81","13","5726","5731","10.1021/acs.joc.6b00803","","","0.71073","MoKα","","0.2888","0.0977","","","0.2078","0.2821","","","","","","1","","","","has coordinates","184174","2020-10-21","18:00:00",""
"4032025","15.72","0.0004","10.2218","0.0003","12.7916","0.0003","90","","90","","90","","2055.44","0.09","100","2","100","2","","","","","","","","3","P b c n","-P 2n 2ab","60","","","","- C12 H16 O2 -","- C12 H16 O2 -","- C96 H128 O16 -","8","1","","Berry, Ellen; Gomes, Gabriel Dos Passos; MacLean, Alex; Martin, Justin R.; Wiget, Paul A.","Discovery of a Long-Range Perlin Effect in a Conformationally Constrained Oxocane.","The Journal of organic chemistry","2016","81","13","5740","5744","10.1021/acs.joc.6b00819","","","1.54178","CuKα","","0.0436","0.0436","","","0.1103","0.1103","","","","","","1.09","","","","has coordinates","184175","2020-10-21","18:00:00",""
"4032026","9.3963","0.0005","7.9827","0.0004","23.0568","0.0016","90","","93.8","0.006","90","","1725.64","0.17","110","2","110","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C21 H19 B S -","- C21 H19 B S -","- C84 H76 B4 S4 -","4","1","","Messersmith, Reid E.; Siegler, Maxime A.; Tovar, John D.","Aromaticity Competition in Differentially Fused Borepin-Containing Polycyclic Aromatics.","The Journal of organic chemistry","2016","81","13","5595","5605","10.1021/acs.joc.6b00927","","","0.71073","MoKα","","0.0602","0.046","","","0.1116","0.1206","","","","","","1.073","","","","has coordinates,has disorder","184176","2020-10-21","18:00:00",""
"4032027","7.7856","0.0003","11.4781","0.0004","12.1","0.0004","115.871","0.003","100.097","0.003","94.798","0.003","942.08","0.07","110","2","110","2","","","","","","","","4","P -1","-P 1","2","","","","- C25 H21 B S -","- C25 H21 B S -","- C50 H42 B2 S2 -","2","1","","Messersmith, Reid E.; Siegler, Maxime A.; Tovar, John D.","Aromaticity Competition in Differentially Fused Borepin-Containing Polycyclic Aromatics.","The Journal of organic chemistry","2016","81","13","5595","5605","10.1021/acs.joc.6b00927","","","0.71073","MoKα","","0.0479","0.0437","","","0.1126","0.1157","","","","","","1.028","","","","has coordinates","184177","2020-10-21","18:00:00",""
"4032028","10.168","0.003","15.7","0.004","11.009","0.003","90","","94.542","0.005","90","","1751.9","0.8","298","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H16 O S -","- C22 H16 O S -","- C88 H64 O4 S4 -","4","1","","Zhang, Xing-Song; Jiao, Jun-Ying; Zhang, Xiao-Hong; Hu, Bo-Lun; Zhang, Xing-Guo","Synthesis of 2-Sulfenylindenones via One-Pot Tandem Meyer-Schuster Rearrangement and Radical Cyclization of Arylpropynols with Disulfides.","The Journal of organic chemistry","2016","81","13","5710","5716","10.1021/acs.joc.6b00762","","","0.71073","MoKα","","0.0618","0.0422","","","0.1305","0.1417","","","","","","1.045","","","","has coordinates","184178","2020-10-21","18:00:00",""
"4032029","9.368","0.002","15.869","0.004","12.83","0.003","90","","93.658","0.003","90","","1903.4","0.8","173.15","","173.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C21 H25 N O3 -","- C21 H25 N O3 -","- C84 H100 N4 O12 -","4","1","","Kong, De-Long; Cheng, Liang; Yue, Tao; Wu, Hong-Ru; Feng, Wei-Chun; Wang, Dong; Liu, Li","Cobalt-Catalyzed Peroxidation of 2-Oxindoles with Hydroperoxides.","The Journal of organic chemistry","2016","81","13","5337","5344","10.1021/acs.joc.6b00622","","","0.71073","MoKα","","0.0981","0.089","","","0.2619","0.2728","","","","","","1.983","","","","has coordinates","184179","2020-10-21","18:00:00",""
"4032030","7.74","0.0015","15.74","0.003","10.99","0.002","90","","90.17","0.03","90","","1338.9","0.4","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C27 H33 N3 O5 -","- C27 H33 N3 O5 -","- C54 H66 N6 O10 -","2","1","","Zou, Gong-Feng; Zhang, Shi-Qiang; Wang, Jia-Xin; Liao, Wei-Wei","Asymmetric Construction of Functionalized 1,2-Dihydropyridine and Pyridine Derivatives with Adjacent Stereocenters via a Unified Metal-Free Catalytic Approach.","The Journal of organic chemistry","2016","81","13","5717","5725","10.1021/acs.joc.6b00791","","","0.71073","MoKα","","0.055","0.0405","","","0.0968","0.1043","","","","","","1.053","","","","has coordinates","184180","2020-10-21","18:00:00",""
"4032031","11.3822","0.0009","13.3519","0.001","16.9247","0.0013","90","","90","","90","","2572.1","0.3","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C27 H22 Br N3 O4 -","- C27 H22 Br N3 O4 -","- C108 H88 Br4 N12 O16 -","4","1","","Zou, Gong-Feng; Zhang, Shi-Qiang; Wang, Jia-Xin; Liao, Wei-Wei","Asymmetric Construction of Functionalized 1,2-Dihydropyridine and Pyridine Derivatives with Adjacent Stereocenters via a Unified Metal-Free Catalytic Approach.","The Journal of organic chemistry","2016","81","13","5717","5725","10.1021/acs.joc.6b00791","","","0.71073","MoKα","","0.1693","0.0627","","","0.142","0.1788","","","","","","0.99","","","","has coordinates","184181","2020-10-21","18:00:00",""
"4032032","8.4691","0.0003","16.8355","0.0008","19.884","0.0007","90","","90.96","0.003","90","","2834.7","0.2","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C29 H30 N2 O2 S -","- C29 H30 N2 O2 S -","- C116 H120 N8 O8 S4 -","4","1","","Huang, Xin; Liu, Miao; Pham, Kenny; Zhang, Xiaofeng; Yi, Wen-Bin; Jasinski, Jerry P.; Zhang, Wei","Organocatalytic One-Pot Asymmetric Synthesis of Thiolated Spiro-γ-lactam Oxindoles Bearing Three Stereocenters.","The Journal of organic chemistry","2016","81","13","5362","5369","10.1021/acs.joc.6b00653","","","0.71073","MoKα","","0.1258","0.0851","","","0.2326","0.2707","","","","","","1.025","","","","has coordinates","184182","2020-10-21","18:00:00",""
"4032033","9.0167","0.0008","9.9451","0.0009","12.302","0.0011","90","","106.426","0.001","90","","1058.12","0.16","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C23 H17 Cl N4 O5 -","- C23 H17 Cl N4 O5 -","- C46 H34 Cl2 N8 O10 -","2","1","","You, Yong; Wu, Zhi-Jun; Chen, Jian-Feng; Wang, Zhen-Hua; Xu, Xiao-Ying; Zhang, Xiao-Mei; Yuan, Wei-Cheng","Organocatalytic Asymmetric Michael Addition of 3-Pyrrolyloxindoles to β-Phthalimidonitroethene for the Synthesis of 3,3'-Disubstituted Oxindoles Bearing Contiguous 3,α,β-Triamino Functionality.","The Journal of organic chemistry","2016","81","13","5759","5765","10.1021/acs.joc.6b00896","","","0.71073","MoKα","","0.0304","0.0289","","","0.0767","0.0778","","","","","","1.053","","","","has coordinates","184183","2020-10-21","18:00:00",""
"4032034","18.9912","0.0006","9.2127","0.0003","12.1513","0.0003","90","","113.891","0.001","90","","1943.83","0.1","100","2","100","2","","","","","","","see text","5","C 1 2/c 1","-C 2yc","15","","","","- C9 H5 F5 O2 S -","- C9 H5 F5 O2 S -","- C72 H40 F40 O16 S8 -","8","1","","Ponomarenko, Maksym V.; Grabowsky, Simon; Pal, Rumpa; Röschenthaler, Gerd-Volker; Fokin, Andrey A.","SF5-Enolates in Ti(IV)-Mediated Aldol Reactions.","The Journal of organic chemistry","2016","81","15","6783","6791","10.1021/acs.joc.6b00946","","x-ray","0.71073","MoKα","","0.0395","0.0326","","","0.0842","0.089","","","","","","1.062","","","","has coordinates","186254","2020-10-21","18:00:00",""
"4032035","14.587","0.003","6.5046","0.0013","15.2015","0.0019","90","","116.131","0.006","90","","1294.9","0.4","100","2","100","2","","","","","","","see text","6","P 1 21/c 1","-P 2ybc","14","","","","- C10 H10 F5 N O5 S -","- C10 H10 F5 N O5 S -","- C40 H40 F20 N4 O20 S4 -","4","1","","Ponomarenko, Maksym V.; Grabowsky, Simon; Pal, Rumpa; Röschenthaler, Gerd-Volker; Fokin, Andrey A.","SF5-Enolates in Ti(IV)-Mediated Aldol Reactions.","The Journal of organic chemistry","2016","81","15","6783","6791","10.1021/acs.joc.6b00946","","x-ray","0.71073","MoKα","","0.0416","0.034","","","0.0866","0.0917","","","","","","1.01","","","","has coordinates","211179","2020-10-21","18:00:00",""
"4032036","8.4711","0.0002","8.8607","0.0002","8.9602","0.0002","99.478","0.001","110.838","0.001","95.682","0.001","610.85","0.02","100","2","100","2","","","","","","","see text","5","P -1","-P 1","2","","","","- C11 H11 F5 O3 S -","- C11 H11 F5 O3 S -","- C22 H22 F10 O6 S2 -","2","1","","Ponomarenko, Maksym V.; Grabowsky, Simon; Pal, Rumpa; Röschenthaler, Gerd-Volker; Fokin, Andrey A.","SF5-Enolates in Ti(IV)-Mediated Aldol Reactions.","The Journal of organic chemistry","2016","81","15","6783","6791","10.1021/acs.joc.6b00946","","x-ray","0.71073","MoKα","","0.0389","0.033","","","0.0867","0.0922","","","","","","1.031","","","","has coordinates","211179","2020-10-21","18:00:00",""
"4032037","8.8223","0.0005","9.7894","0.0005","17.1881","0.0009","94.4785","0.0019","101.255","0.0019","116.252","0.0017","1282.73","0.12","120","","120","","","","","","","","","6","P -1","-P 1","2","","4-tert-butyl 2-ethyl 5-(4-bromo-3-iodophenyl)-1-ethyl-4-methylpyrrolidine-2,4-dicarboxylate","","- C24 H33 Br I N O5 -","- C24 H33 Br I N O5 -","- C48 H66 Br2 I2 N2 O10 -","2","1","","Mallia, Carl J.; Walter, Gary C.; Baxendale, Ian R.","Flow carbonylation of sterically hindered ortho-substituted iodoarenes.","Beilstein journal of organic chemistry","2016","12","","1503","1511","10.3762/bjoc.12.147","","x-ray","0.71073","MoKα","","0.0398","0.0274","","","0.0557","0.0591","","","","","","1.032","","","","has coordinates","186264","2020-10-21","18:00:00",""
"4032038","7.991","0.0006","19.372","0.0013","11.091","0.0009","90","","127.399","0.008","90","","1364","0.2","198","2","198","2","","","","","","","synthesis","5","P 1 21/c 1","-P 2ybc","14","DM-449","","","- C12 H17 Cl N4 Pd -","- C12 H17 Cl N4 Pd -","- C48 H68 Cl4 N16 Pd4 -","4","1","","Meyer, Dirk; Strassner, Thomas","Methylpalladium complexes with pyrimidine-functionalized N-heterocyclic carbene ligands.","Beilstein journal of organic chemistry","2016","12","","1557","1565","10.3762/bjoc.12.150","","","0.71073","MoKα","","0.0308","0.0203","","","0.0513","0.0542","","","","","","1.146","","","","has coordinates","186265","2020-10-21","18:00:00",""
"4032039","11.055","0.0008","8.05","0.0005","17.92","0.001","90","","102.069","0.006","90","","1559.5","0.18","198","2","198","2","","","","","","","synthesis","6","P 1 21/c 1","-P 2ybc","14","","","","- C14 H12 Br Cl N4 Pd -","- C14 H12 Br Cl N4 Pd -","- C56 H48 Br4 Cl4 N16 Pd4 -","4","1","","Meyer, Dirk; Strassner, Thomas","Methylpalladium complexes with pyrimidine-functionalized N-heterocyclic carbene ligands.","Beilstein journal of organic chemistry","2016","12","","1557","1565","10.3762/bjoc.12.150","","","0.71073","MoKα","","0.0574","0.0311","","","0.0605","0.0675","","","","","","1.098","","","","has coordinates","186265","2020-10-21","18:00:00",""
"4032040","9.29","0.0006","20.254","0.002","15.287","0.0006","90","","127.01","0.004","90","","2296.9","0.3","198","2","198","2","","","","","","","synthesis","6","P 1 21/c 1","-P 2ybc","14","","","","- C22 H25 F3 N4 O2 Pd -","- C22 H25 F3 N4 O2 Pd -","- C88 H100 F12 N16 O8 Pd4 -","4","1","","Meyer, Dirk; Strassner, Thomas","Methylpalladium complexes with pyrimidine-functionalized N-heterocyclic carbene ligands.","Beilstein journal of organic chemistry","2016","12","","1557","1565","10.3762/bjoc.12.150","","","0.71073","MoKα","","0.0344","0.0263","","","0.0769","0.0795","","","","","","1.508","","","","has coordinates","186265","2020-10-21","18:00:00",""
"4032041","11.3","0.001","14.4355","0.0013","26.239","0.002","90","","94.704","0.002","90","","4265.7","0.6","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C48 H71 B P2 Pd -","- C48 H71 B P2 Pd -","- C192 H284 B4 P8 Pd4 -","4","1","","Steinhoff, Patrick; Tauchert, Michael E.","A T-shape diphosphinoborane palladium(0) complex.","Beilstein journal of organic chemistry","2016","12","","1573","1576","10.3762/bjoc.12.152","","","0.71073","MoKα","","0.0408","0.0323","","","0.0742","0.0784","","","","","","1.042","","","","has coordinates","186263","2020-10-21","18:00:00",""
"4032042","6.011","0.0004","9.5419","0.0006","31.23","0.003","90","","90","","90","","1791.2","0.2","200","2","200","2","","","","","","","","3","P 21 c n","P -2n 2a","33","","","","- C25 H17 N3 -","- C25 H17 N3 -","- C100 H68 N12 -","4","1","","Ion, Adrian E.; Cristian, Liliana; Voicescu, Mariana; Bangesh, Masroor; Madalan, Augustin M.; Bala, Daniela; Mihailciuc, Constantin; Nica, Simona","Synthesis and properties of fluorescent 4'-azulenyl-functionalized 2,2':6',2″-terpyridines.","Beilstein journal of organic chemistry","2016","12","","1812","1825","10.3762/bjoc.12.171","","","0.71073","MoKα","","0.0859","0.0441","","","0.1008","0.1398","","","","","","1.077","","","","has coordinates","188920","2020-10-21","18:00:00",""
"4032043","15.2019","0.0012","9.6219","0.0008","17.1451","0.0014","90","","101.007","0.001","90","","2461.7","0.3","185","2","185","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C28 H31 N3 O3 -","- C28 H31 N3 O3 -","- C112 H124 N12 O12 -","4","2","","Goldberg, Mariano; Sartakov, Denis; Bats, Jan W.; Bolte, Michael; Göbel, Michael W","A chiral analog of the bicyclic guanidine TBD: synthesis, structure and Brønsted base catalysis.","Beilstein journal of organic chemistry","2016","12","","1870","1876","10.3762/bjoc.12.176","","","0.71073","MoKα","","0.1706","0.0943","","","0.0972","0.1135","","","","","","1.133","","","","has coordinates","190287","2020-10-21","18:00:00",""
"4032044","6.2818","0.0011","18.682","0.005","33.725","0.005","90","","90","","90","","3957.9","1.4","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C25 H18 Cl N O3 -","- C25 H18 Cl N O3 -","- C200 H144 Cl8 N8 O24 -","8","2","","Goldberg, Mariano; Sartakov, Denis; Bats, Jan W.; Bolte, Michael; Göbel, Michael W","A chiral analog of the bicyclic guanidine TBD: synthesis, structure and Brønsted base catalysis.","Beilstein journal of organic chemistry","2016","12","","1870","1876","10.3762/bjoc.12.176","","","0.71073","MoKα","","0.2976","0.153","","","0.2038","0.2666","","","","","","0.978","","","","has coordinates","188919","2020-10-21","18:00:00",""
"4032045","5.7034","0.0005","11.3752","0.0011","29.276","0.002","90","","90","","90","","1899.3","0.3","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C24 H16 Br N O3 -","- C24 H16 Br N O3 -","- C96 H64 Br4 N4 O12 -","4","1","","Goldberg, Mariano; Sartakov, Denis; Bats, Jan W.; Bolte, Michael; Göbel, Michael W","A chiral analog of the bicyclic guanidine TBD: synthesis, structure and Brønsted base catalysis.","Beilstein journal of organic chemistry","2016","12","","1870","1876","10.3762/bjoc.12.176","","","0.71073","MoKα","","0.1305","0.0547","","","0.0886","0.1099","","","","","","0.811","","","","has coordinates","188919","2020-10-21","18:00:00",""
"4032046","8.483","0.002","33.621","0.009","14.525","0.004","90","","98.986","0.003","90","","4091.8","1.8","100","","100","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C19 H16 O2 -","- C19 H16 O2 -","- C228 H192 O24 -","12","3","","Kotha, Sambasivarao; Gunta, Rama","Bridgehead vicinal diallylation of norbornene derivatives and extension to propellane derivatives via ring-closing metathesis.","Beilstein journal of organic chemistry","2016","12","","1877","1883","10.3762/bjoc.12.177","","","0.7107","MoKα","","0.0856","0.065","","","0.1405","0.1544","","","","","","1.092","","","","has coordinates","188921","2020-10-21","18:00:00",""
"4032047","8.108","0.0016","24.504","0.005","9.769","0.002","90","","90","","90","","1940.9","0.7","293","2","293","2","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- C27 H26 O2 -","- C27 H26 O2 -","- C108 H104 O8 -","4","1","","Kotha, Sambasivarao; Gunta, Rama","Bridgehead vicinal diallylation of norbornene derivatives and extension to propellane derivatives via ring-closing metathesis.","Beilstein journal of organic chemistry","2016","12","","1877","1883","10.3762/bjoc.12.177","","","0.71073","MoKα","","0.0528","0.0414","","","0.0883","0.0931","","","","","","0.991","","","","has coordinates","211196","2020-10-21","18:00:00",""
"4032048","14.63","0.007","11.834","0.006","10.513","0.005","90","","90","","90","","1820.1","1.5","150","","150","","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- C23 H22 O2 -","- C23 H22 O2 -","- C92 H88 O8 -","4","0.5","","Kotha, Sambasivarao; Gunta, Rama","Bridgehead vicinal diallylation of norbornene derivatives and extension to propellane derivatives via ring-closing metathesis.","Beilstein journal of organic chemistry","2016","12","","1877","1883","10.3762/bjoc.12.177","","","0.71075","MoKα","","0.0499","0.0429","","","0.0959","0.1003","","","","","","1.097","","","","has coordinates","188921","2020-10-21","18:00:00",""
"4032049","7.524","0.003","8.498","0.003","12.116","0.005","88.457","0.013","79.09","0.001","79.868","0.012","748.8","0.5","150","","150","","","","","","","","","3","P -1","-P 1","2","","","","- C21 H18 O2 -","- C21 H18 O2 -","- C42 H36 O4 -","2","1","","Kotha, Sambasivarao; Gunta, Rama","Bridgehead vicinal diallylation of norbornene derivatives and extension to propellane derivatives via ring-closing metathesis.","Beilstein journal of organic chemistry","2016","12","","1877","1883","10.3762/bjoc.12.177","","","0.7107","MoKα","","0.068","0.0429","","","0.0905","0.1026","","","","","","0.84","","","","has coordinates","188921","2020-10-21","18:00:00",""
"4032050","21.926","0.002","17.636","0.002","18.914","0.002","90","","93.67","0.003","90","","7298.8","1.3","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C97 H58 Cl2 F4 N6 Zn -","- C97 H58 Cl2 F4 N6 Zn -","- C388 H232 Cl8 F16 N24 Zn4 -","4","0.5","","Etheridge, Forrest S.; Fernando, Roshan J.; Pejić, Sandra; Zeller, Matthias; Sauvé, Geneviève","Synthesis and characterization of fluorinated azadipyrromethene complexes as acceptors for organic photovoltaics.","Beilstein journal of organic chemistry","2016","12","","1925","1938","10.3762/bjoc.12.182","","","1.54178","CuKα","","0.0487","0.0466","","","0.1215","0.1251","","","","","","1.131","","","","has coordinates,has disorder","188917","2020-10-21","18:00:00",""
"4032051","28.515","0.018","7.53","0.005","15.194","0.01","90","","115.987","0.01","90","","2933","3","100","2","100","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C33 H25 Br O3 -","- C33 H25 Br O3 -","- C132 H100 Br4 O12 -","4","1","","Wang, Gang; Wang, Zhan-Yong; Niu, Shuang-Shuo; Rao, Yin; Cheng, Ying","The Reaction of 2-Aroylvinylcinnamaldehydes with Aromatic Aldehydes by Dual Catalysis with a Chiral N-Heterocyclic Carbene and a Lewis Acid: Enantioselective Construction of Tetrahydroindeno[1,2-c]furan-1-ones.","The Journal of organic chemistry","2016","","","","","10.1021/acs.joc.6b01362","","","0.71073","MoKα","","0.0949","0.0672","","","0.1786","0.1922","","","","","","1.059","","","","has coordinates","186097","2020-10-21","18:00:00",""
"4032052","11.6048","0.0002","13.5575","0.0002","15.1224","0.0002","74.397","0.001","75.404","0.001","84.186","0.001","2216.17","0.06","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C44 H49 O11 Os3 P -","- C44 H49 O11 Os3 P -","- C88 H98 O22 Os6 P2 -","2","1","","Park, Boyoung Y.; Luong, Tom; Sato, Hiroki; Krische, Michael J.","Osmium(0)-Catalyzed C-C Coupling of Ethylene and α-Olefins with Diols, Ketols, or Hydroxy Esters via Transfer Hydrogenation.","The Journal of organic chemistry","2016","81","18","8585","8594","10.1021/acs.joc.6b01923","","","1.54184","CuKα","","0.0229","0.0222","","","0.0515","0.0517","","","","","","1.004","","","","has coordinates","186958","2020-10-21","18:00:00",""
"4032053","5.8411","0.0007","15.53","0.003","25.512","0.002","90","","95.069","0.009","90","","2305.2","0.6","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C22 H28 Br2 O4 S -","- C22 H28 Br2 O4 S -","- C88 H112 Br8 O16 S4 -","4","1","","Park, Boyoung Y.; Luong, Tom; Sato, Hiroki; Krische, Michael J.","Osmium(0)-Catalyzed C-C Coupling of Ethylene and α-Olefins with Diols, Ketols, or Hydroxy Esters via Transfer Hydrogenation.","The Journal of organic chemistry","2016","81","18","8585","8594","10.1021/acs.joc.6b01923","","","1.54184","CuKα","","0.1218","0.0666","","","0.1391","0.1651","","","","","","1.009","","","","has coordinates","186958","2020-10-21","18:00:00",""
"4032054","9.022","0.004","11.781","0.006","15.387","0.008","98.559","0.013","101.929","0.013","90.335","0.012","1581.2","1.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C36 H32 Br2 N2 O2 -","- C36 H32 Br2 N2 O2 -","- C72 H64 Br4 N4 O4 -","2","1","","Hu, Weiming; Yu, Jin-Tao; Ye, Dengman; Zhou, Zhou; Sun, Song; Cheng, Jiang","Iron-Mediated Annulation between Methylene Ketones and Diethanolamines: A Sustainable and Scalable Procedure toward N-(2-Hydroxyethyl) Pyrroles.","The Journal of organic chemistry","2016","81","19","9389","9395","10.1021/acs.joc.6b01195","","","0.71073","MoKα","","0.1474","0.0921","","","0.2435","0.2918","","","","","","0.948","","","","has coordinates,has disorder","187937","2020-10-21","18:00:00",""
"4032055","8.9878","0.001","14.6983","0.0018","10.8669","0.0013","90","","90.983","0.003","90","","1435.4","0.3","123","2","123","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C31 H33 Cl N2 O5 -","- C31 H33 Cl N2 O5 -","- C62 H66 Cl2 N4 O10 -","2","1","","Torii, Masahiro; Kato, Kohsuke; Uraguchi, Daisuke; Ooi, Takashi","Chiral ammonium betaine-catalyzed asymmetric Mannich-type reaction of oxindoles.","Beilstein journal of organic chemistry","2016","12","","2099","2103","10.3762/bjoc.12.199","","","0.71075","MoKα","","0.0244","0.0241","","","0.0626","0.0628","","","","","","1.08","","","","has coordinates","198632","2020-10-21","18:00:00",""
"4032056","15.8194","0.0004","7.2095","0.0002","38.1891","0.0009","90","","90","","90","","4355.47","0.19","296","2","296","2","","","","","","","","4","P c a 21","P 2c -2ac","29","XZ-C1","","","- C12 H11 N O3 -","- C12 H11 N O3 -","- C192 H176 N16 O48 -","16","4","","Xuan, Zi; Jung, Da Jung; Jeon, Hyun Ji; Lee, Sang-Gi","Pd-Catalyzed Aminocarbonylation of the Blaise Reaction Intermediate: One-Pot Synthesis of (Z)-3-Methyleneisoindolin-1-ones from Nitriles.","The Journal of organic chemistry","2016","81","20","10094","","10.1021/acs.joc.6b02095","","","0.71073","","","0.1756","0.0569","","","0.1381","0.1656","","","","","","0.916","","","","has coordinates","187936","2020-10-21","18:00:00",""
"4032059","7.5026","0.0005","20.3104","0.0014","12.4356","0.0008","90","","94.704","0.002","90","","1888.6","0.2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C23 H18 N2 O3 S -","- C23 H18 N2 O3 S -","- C92 H72 N8 O12 S4 -","4","1","","Zheng, Yang; Zhang, Xiaolu; Yao, Ruwei; Wen, Yuecheng; Huang, Jingjing; Xu, Xinfang","1,3-Dipolar Cycloaddition of Alkyne-Tethered N-Tosylhydrazones: Synthesis of Fused Polycyclic Pyrazoles.","The Journal of organic chemistry","2016","81","22","11072","","10.1021/acs.joc.6b02076","","","0.71073","MoKα","","0.0617","0.0447","","","0.0996","0.1089","","","","","","1.058","","","","has coordinates","188909","2020-10-21","18:00:00",""
"4032060","17.5326","0.0019","20.845","0.002","22.514","0.002","90","","90","","90","","8228.1","1.4","120","2","120","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C40 H39 Br2 N7 O4 S2 -","- C38 H33 Br2 N7 O3 S -","- C304 H264 Br16 N56 O24 S8 -","8","1","","Izmest’ev, Alexei N; Gazieva, Galina A.; Sigay, Natalya V.; Serkov, Sergei A.; Karnoukhova, Valentina A.; Kachala, Vadim V.; Shashkov, Alexander S.; Zanin, Igor E.; Kravchenko, Angelina N.; Makhova, Nina N.","An effective one-pot access to polynuclear dispiroheterocyclic structures comprising pyrrolidinyloxindole and imidazothiazolotriazine moieties via a 1,3-dipolar cycloaddition strategy","Beilstein Journal of Organic Chemistry","2016","12","","2240","","10.3762/bjoc.12.216","","","0.71073","MoKα","","0.0941","0.0466","","","0.1086","0.129","","","","","","1.012","","","","has coordinates","187522","2020-10-21","18:00:00",""
"4032061","10.2603","0.0005","11.415","0.0006","36.6392","0.0019","90","","94.683","0.001","90","","4276.9","0.4","120","2","120","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C45 H45 Br N10 O3 S -","- C45 H45 Br N10 O3 S -","- C180 H180 Br4 N40 O12 S4 -","4","1","","Izmest’ev, Alexei N; Gazieva, Galina A.; Sigay, Natalya V.; Serkov, Sergei A.; Karnoukhova, Valentina A.; Kachala, Vadim V.; Shashkov, Alexander S.; Zanin, Igor E.; Kravchenko, Angelina N.; Makhova, Nina N.","An effective one-pot access to polynuclear dispiroheterocyclic structures comprising pyrrolidinyloxindole and imidazothiazolotriazine moieties via a 1,3-dipolar cycloaddition strategy","Beilstein Journal of Organic Chemistry","2016","12","","2240","","10.3762/bjoc.12.216","","","0.71073","MoKα","","0.0641","0.0564","","","0.1232","0.1261","","","","","","1.161","","","","has coordinates","187523","2020-10-21","18:00:00",""
"4032062","15.7105","0.0006","13.4273","0.0005","15.0819","0.0005","90","","112.995","0.001","90","","2928.71","0.19","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C30 H32 N8 O5 S -","- C30 H32 N8 O5 S -","- C120 H128 N32 O20 S4 -","4","1","","Izmest’ev, Alexei N; Gazieva, Galina A.; Sigay, Natalya V.; Serkov, Sergei A.; Karnoukhova, Valentina A.; Kachala, Vadim V.; Shashkov, Alexander S.; Zanin, Igor E.; Kravchenko, Angelina N.; Makhova, Nina N.","An effective one-pot access to polynuclear dispiroheterocyclic structures comprising pyrrolidinyloxindole and imidazothiazolotriazine moieties via a 1,3-dipolar cycloaddition strategy","Beilstein Journal of Organic Chemistry","2016","12","","2240","","10.3762/bjoc.12.216","","","0.71073","MoKα","","0.0546","0.0394","","","0.0931","0.1022","","","","","","1.018","","","","has coordinates","187524","2020-10-21","18:00:00",""
"4032063","8.9292","0.0003","12.2608","0.0004","15.9631","0.0006","90","","101.183","0.003","90","","1714.44","0.1","150","0.1","150","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H15 N3 O4 -","- C20 H15 N3 O4 -","- C80 H60 N12 O16 -","4","1","","Efimov, Ilya V.; Shafikov, Marsel Z.; Beliaev, Nikolai A.; Volkova, Natalia N.; Beryozkina, Tetyana V.; Dehaen, Wim; Fan, Zhijin; Grishko, Viktoria V.; Lubec, Gert; Slepukhin, Pavel A.; Bakulev, Vasiliy A.","Combined experimental and theoretical studies of regio- and stereoselectivity in reactions of β-isoxazolyl- and β-imidazolyl enamines with nitrile oxides","Beilstein Journal of Organic Chemistry","2016","12","","2390","","10.3762/bjoc.12.233","","","0.7107","MoKα","","0.0589","0.0453","","","0.1209","0.1333","","","","","","1.008","","","","has coordinates","188485","2020-10-21","18:00:00",""
"4032064","6.52","0.0009","10.4602","0.0005","17.7675","0.0008","90","","90","","90","","1211.75","0.19","295","2","295","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C13 H10 N4 O3 -","- C13 H10 N4 O3 -","- C52 H40 N16 O12 -","4","1","","Efimov, Ilya V.; Shafikov, Marsel Z.; Beliaev, Nikolai A.; Volkova, Natalia N.; Beryozkina, Tetyana V.; Dehaen, Wim; Fan, Zhijin; Grishko, Viktoria V.; Lubec, Gert; Slepukhin, Pavel A.; Bakulev, Vasiliy A.","Combined experimental and theoretical studies of regio- and stereoselectivity in reactions of β-isoxazolyl- and β-imidazolyl enamines with nitrile oxides","Beilstein Journal of Organic Chemistry","2016","12","","2390","","10.3762/bjoc.12.233","","","0.7107","MoKα","","0.0564","0.044","","","0.1098","0.1188","","","","","","1.003","","","","has coordinates","255805","2020-10-21","18:00:00",""
"4032065","8.9596","0.0004","12.5516","0.0003","15.7754","0.0004","90","","100.144","0.003","90","","1746.33","0.1","150","0.1","150","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C21 H16 N2 O4 -","- C21 H16 N2 O4 -","- C84 H64 N8 O16 -","4","1","","Efimov, Ilya V.; Shafikov, Marsel Z.; Beliaev, Nikolai A.; Volkova, Natalia N.; Beryozkina, Tetyana V.; Dehaen, Wim; Fan, Zhijin; Grishko, Viktoria V.; Lubec, Gert; Slepukhin, Pavel A.; Bakulev, Vasiliy A.","Combined experimental and theoretical studies of regio- and stereoselectivity in reactions of β-isoxazolyl- and β-imidazolyl enamines with nitrile oxides","Beilstein Journal of Organic Chemistry","2016","12","","2390","","10.3762/bjoc.12.233","","","0.7107","MoKα","","0.0582","0.0438","","","0.1265","0.1379","","","","","","1.009","","","","has coordinates","188487","2020-10-21","18:00:00",""
"4032066","9.7218","0.0003","14.1376","0.0002","10.2523","0.0002","90","","115.65","0.003","90","","1270.25","0.06","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","1,4,8,11-tetra(prop-2-yn-1-yl)-1,4,8,11-tetraazacyclotetradecane-1,8-diium perchlorate","","- C22 H34 Cl2 N4 O8 -","- C22 H34 Cl2 N4 O8 -","- C44 H68 Cl4 N8 O16 -","2","0.5","","Counsell, Andrew J.; Jones, Angus T.; Todd, Matthew H.; Rutledge, Peter J.","A direct method for the N-tetraalkylation of azamacrocycles","Beilstein Journal of Organic Chemistry","2016","12","","2457","","10.3762/bjoc.12.239","","","1.54178","CuKα","","0.041","0.0343","","","0.0869","0.0909","","","","","","1.058","","","","has coordinates","188573","2020-10-21","18:00:00",""
"4032067","14.325","0.002","12.234","0.002","29.447","0.005","90","","102.398","0.004","90","","5040.3","1.4","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C18.5 H37 N7 O7.5 -","- C18.5 H37 N7 O7.5 -","- C148 H296 N56 O60 -","8","2","","Semakin, Artem N.; Kokuev, Aleksandr O.; Nelyubina, Yulia V.; Sukhorukov, Alexey Yu; Zhmurov, Petr A.; Ioffe, Sema L.; Tartakovsky, Vladimir A.","Construction of bis-, tris- and tetrahydrazones by addition of azoalkenes to amines and ammonia","Beilstein Journal of Organic Chemistry","2016","12","","2471","","10.3762/bjoc.12.241","","","0.71073","MoKα","","0.2222","0.0897","","","0.2017","0.2715","","","","","","1.055","","","","has coordinates,has disorder","188616","2020-10-21","18:00:00",""
"4032068","16.7086","0.0005","21.6694","0.0008","8.223","0.0003","90","","90","","90","","2977.26","0.18","100","","100","","","","","","","","","4","P 21 21 2","P 2 2ab","18","","","","- C46 H90 N2 O38 -","- C46 H42 N2 O38 -","- C92 H84 N4 O76 -","2","0.5","","Koyanagi, Kohei; Takashima, Yoshinori; Nakamura, Takashi; Yamaguchi, Hiroyasu; Harada, Akira","Radical polymerization by a supramolecular catalyst: cyclodextrin with a RAFT reagent","Beilstein Journal of Organic Chemistry","2016","12","","2495","","10.3762/bjoc.12.244","","","0.71075","MoKα","","","0.0761","","","","0.23","","","","","","1.099","","","","has coordinates","188628","2020-10-21","18:00:00",""
"4032069","15.3495","0.0004","15.391","0.0005","17.9894","0.0006","113.338","0.0009","99.5367","0.0011","102.721","0.001","3651.5","0.2","100","","100","","","","","","","","","4","P 1","P 1","1","","","","- C106.5 H214.5 N4.5 O91.5 -","- C106.5 H137.5 N4.5 O91.5 -","- C106.5 H137.5 N4.5 O91.5 -","1","1","","Koyanagi, Kohei; Takashima, Yoshinori; Nakamura, Takashi; Yamaguchi, Hiroyasu; Harada, Akira","Radical polymerization by a supramolecular catalyst: cyclodextrin with a RAFT reagent","Beilstein Journal of Organic Chemistry","2016","12","","2495","","10.3762/bjoc.12.244","","","0.71075","MoKα","","","0.098","","","","0.2779","","","","","","1.046","","","","has coordinates","188629","2020-10-21","18:00:00",""
"4032070","11.7917","0.0005","7.5448","0.0003","17.661","0.0008","90","","101.754","0.002","90","","1538.28","0.11","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","none","6-ethyl-2-(3-phenylsydnon-4-yl)indolizine","","- C18 H15 N3 O2 -","- C18 H15 N3 O2 -","- C72 H60 N12 O8 -","4","1","","Albota, Florin; Caira, Mino R.; Draghici, Constantin; Dumitrascu, Florea; Dumitrescu, Denisa E.","Sydnone C-4 heteroarylation with an indolizine ring via Chichibabin indolizine synthesis","Beilstein Journal of Organic Chemistry","2016","12","","2503","","10.3762/bjoc.12.245","","","0.71073","MoKα","","0.0685","0.0421","","","0.0995","0.112","","","","","","1.016","","","","has coordinates","188651","2020-10-21","18:00:00",""
"4032071","8.9685","0.0005","10.6487","0.0007","11.0785","0.0007","93.48","0.001","95.886","0.001","109.306","0.001","988.21","0.11","173","2","173","2","","","","","","","","4","P -1","-P 1","2","none","Ethyl 8-ethyl-5-methyl-3-[(3-phenylsydnon-4-yl)-oxomethyl]-indolizine-1-carboxylate","","- C23 H21 N3 O5 -","- C23 H21 N3 O5 -","- C46 H42 N6 O10 -","2","1","","Albota, Florin; Caira, Mino R.; Draghici, Constantin; Dumitrascu, Florea; Dumitrescu, Denisa E.","Sydnone C-4 heteroarylation with an indolizine ring via Chichibabin indolizine synthesis","Beilstein Journal of Organic Chemistry","2016","12","","2503","","10.3762/bjoc.12.245","","","0.71073","MoKα","","0.0499","0.039","","","0.0948","0.1014","","","","","","1.045","","","","has coordinates","188652","2020-10-21","18:00:00",""
"4032072","11.0577","0.0009","12.8224","0.001","11.7987","0.001","90","","110.529","0.003","90","","1566.7","0.2","303.4","","303.4","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C18 H16 O5 -","- C18 H16 O5 -","- C72 H64 O20 -","4","1","","Jung, Youngeun; Singh, Dileep Kumar; Kim, Ikyon","Symmetry-based approach to oligostilbenoids: Rapid entry to viniferifuran, shoreaphenol, malibatol A, and diptoindonesin G","Beilstein Journal of Organic Chemistry","2016","12","","2689","","10.3762/bjoc.12.266","","","0.71073","MoKα","","0.1362","0.0651","","","0.1454","0.1766","","","","","","1.032","","","","has coordinates,has disorder","189079","2020-10-21","18:00:00",""
"4032074","5.6166","0.0002","13.392","0.0005","31.5475","0.0011","90","","90","","90","","2372.92","0.15","110","2","110","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C27 H34 N2 O3 -","- C27 H34 N2 O3 -","- C108 H136 N8 O12 -","4","1","","Weber, Carina; Pusch, Stefan; Schollmeyer, Dieter; Münster-Müller, Sascha; Pütz, Michael; Opatz, Till","Characterization of the synthetic cannabinoid MDMB-CHMCZCA","Beilstein Journal of Organic Chemistry","2016","12","","2808","","10.3762/bjoc.12.279","","","1.54178","CuKα","","0.0923","0.0657","","","0.165","0.2109","","","","","","1.121","","","","has coordinates,has disorder","189317","2020-10-21","18:00:00",""
"4032082","4.6541","0.0006","28.474","0.004","14.0756","0.0017","90","","91.526","0.004","90","","1864.6","0.4","103","2","103","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C22 H10 F9 N -","- C22 H10 F9 N -","- C88 H40 F36 N4 -","4","1","","Koseki, Yuta; Kitazawa, Kentaroh; Miyake, Masashi; Kochi, Takuya; Kakiuchi, Fumitoshi","Ruthenium-Catalyzed Ortho C-H Arylation of Aromatic Nitriles with Arylboronates and Observation of Partial Para Arylation.","The Journal of organic chemistry","2016","","","","","10.1021/acs.joc.6b02623","","","0.71075","MoKα","","0.119","0.0613","","","0.1136","0.1329","","","","","","0.981","","","","has coordinates","189636","2020-10-21","18:00:00",""
"4033352","10.5231","0.0009","12.4625","0.0011","9.6181","0.0008","90","","107.523","0.002","90","","1202.83","0.18","120","","120","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","6-Iodo-4,4,8-trimethyl-1,2,3,4-tetrahydroquinolin-2-one","","- C12 H14 I N O -","- C12 H14 I N O -","- C48 H56 I4 N4 O4 -","4","1","","David R Chisholm; Garr-Layy Zhou; Ehmke Pohl; Roy Valentine; Andrew Whiting","Practical synthetic strategies towards lipophilic 6-iodotetrahydroquinolines and -dihydroquinolines","Beilstein Journal of Organic Chemistry","2016","12","","1851","1862","10.3762/bjoc.12.174","","x-ray","0.71073","MoKα","","0.057","0.0532","","","0.1382","0.1426","","","","","","1.04","","","","has coordinates","205249","2020-10-21","18:00:00",""
"4033353","18.006","0.0008","9.8997","0.0004","13.7872","0.0006","90","","107.361","0.002","90","","2345.66","0.18","120","","120","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","6-Iodo-4,4,8-trimethyl-1,2,3,4-tetrahydroquinoline","","- C12 H16 I N -","- C12 H16 I N -","- C96 H128 I8 N8 -","8","2","","David R Chisholm; Garr-Layy Zhou; Ehmke Pohl; Roy Valentine; Andrew Whiting","Practical synthetic strategies towards lipophilic 6-iodotetrahydroquinolines and -dihydroquinolines","Beilstein Journal of Organic Chemistry","2016","12","","1851","1862","10.3762/bjoc.12.174","","x-ray","0.71073","MoKα","","0.0374","0.0279","","","0.059","0.0632","","","","","","1.082","","","","has coordinates","205250","2020-10-21","18:00:00",""
"4033354","8.358","0.0008","15.7426","0.0015","11.7029","0.0011","90","","93.446","0.002","90","","1537","0.3","120","","120","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","6-Iodo-4,4,8-trimethyl-2-(propan-2-yloxy)-3,4-dihydroquinoline","","- C15 H20 I N O -","- C15 H20 I N O -","- C60 H80 I4 N4 O4 -","4","1","","David R Chisholm; Garr-Layy Zhou; Ehmke Pohl; Roy Valentine; Andrew Whiting","Practical synthetic strategies towards lipophilic 6-iodotetrahydroquinolines and -dihydroquinolines","Beilstein Journal of Organic Chemistry","2016","12","","1851","1862","10.3762/bjoc.12.174","","x-ray","0.71073","MoKα","","0.0664","0.0591","","","0.1448","0.1508","","","","","","1.05","","","","has coordinates","205251","2020-10-21","18:00:00",""
"4033355","12.0435","0.0006","11.5154","0.0006","28.6939","0.0014","90","","96.039","0.002","90","","3957.4","0.3","120","","120","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","4,4-Dimethyl-1-(propan-2-yl)-6-(tetramethyl-1,3,2-dioxaborolan-2-yl)-1,2,3,4-tetrahydroquinoline","","- C20 H32 B N O2 -","- C20 H32 B N O2 -","- C160 H256 B8 N8 O16 -","8","2","","David R Chisholm; Garr-Layy Zhou; Ehmke Pohl; Roy Valentine; Andrew Whiting","Practical synthetic strategies towards lipophilic 6-iodotetrahydroquinolines and -dihydroquinolines","Beilstein Journal of Organic Chemistry","2016","12","","1851","1862","10.3762/bjoc.12.174","","x-ray","0.71073","MoKα","","0.0919","0.06","","","0.1337","0.1484","","","","","","1.039","","","","has coordinates,has disorder","205252","2020-10-21","18:00:00",""
"4033356","12.2051","0.0005","11.3054","0.0005","28.6657","0.0012","90","","95.011","0.002","90","","3940.3","0.3","120","","120","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","4,4-dimethyl-1-(propan-2-yl)-6-(tetramethyl-1,3,2-dioxaborolan-2-yl)-1,4-dihydroquinoline","","- C20 H30 B N O2 -","- C20 H30 B N O2 -","- C160 H240 B8 N8 O16 -","8","2","","David R Chisholm; Garr-Layy Zhou; Ehmke Pohl; Roy Valentine; Andrew Whiting","Practical synthetic strategies towards lipophilic 6-iodotetrahydroquinolines and -dihydroquinolines","Beilstein Journal of Organic Chemistry","2016","12","","1851","1862","10.3762/bjoc.12.174","","x-ray","0.71073","MoKα","","0.089","0.0547","","","0.125","0.1412","","","","","","1.034","","","","has coordinates","205253","2020-10-21","18:00:00",""
"4033357","18.723","0.0004","8.16224","0.0001","17.8772","0.0004","90","","126.024","0.003","90","","2209.58","0.11","120","","120","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","6-Iodo-4,4-dimethyl-1,2,3,4-tetrahydroquinolin-2-one","","- C11 H12 I N O -","- C11 H12 I N O -","- C88 H96 I8 N8 O8 -","8","1","","David R Chisholm; Garr-Layy Zhou; Ehmke Pohl; Roy Valentine; Andrew Whiting","Practical synthetic strategies towards lipophilic 6-iodotetrahydroquinolines and -dihydroquinolines","Beilstein Journal of Organic Chemistry","2016","12","","1851","1862","10.3762/bjoc.12.174","","x-ray","0.71073","MoKα","","0.0233","0.019","","","0.047","0.0486","","","","","","1.088","","","","has coordinates","205254","2020-10-21","18:00:00",""
"4036366","33.592","0.002","11.1346","0.0007","18.5547","0.0011","90","","113.102","0.001","90","","6383.5","0.7","295","2","295","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C27 H41 Cl N4 -","- C27 H41 Cl N4 -","- C216 H328 Cl8 N32 -","8","1","","Belding, Lee; Stoyanov, Peter; Dudding, Travis","Synthesis, Theoretical Analysis, and Experimental pKa Determination of a Fluorescent, Nonsymmetric, In-Out Proton Sponge.","The Journal of organic chemistry","2016","81","1","6","13","10.1021/acs.joc.5b01743","","","0.71073","MoKα","","0.0816","0.0458","","","0.1285","0.1432","","","","","","1.068","","","","has coordinates","234612","2020-10-21","18:00:00",""
"4036415","16.157","0.003","9.129","0.0018","16.109","0.003","90","","90.44","0.03","90","","2376","0.8","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C29 H26 N O2 P -","- C29 H26 N O2 P -","- C116 H104 N4 O8 P4 -","4","1","","Zhang, Honglin; Gu, Zhangxi; Li, Zhenyi; Pan, Changduo; Li, Weipeng; Hu, Hongwen; Zhu, Chengjian","Silver-Catalyzed Cascade Radical Cyclization: A Direct Approach to 3,4-Disubstituted Dihydroquinolin-2(1H)-ones through Activation of the P-H Bond and Functionalization of the C(sp(2))-H Bond.","The Journal of organic chemistry","2016","81","5","2122","2127","10.1021/acs.joc.5b01879","","","0.71073","MoKα","","0.1739","0.0751","","","0.0925","0.1115","","","","","","1.007","","","","has coordinates","234657","2020-10-21","18:00:00",""
"4036445","12.1351","0.0013","10.8659","0.0012","28.897","0.003","90","","90.356","0.002","90","","3810.2","0.7","133","2","133","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H18 F3 N O -","- C24 H18 F3 N O -","- C192 H144 F24 N8 O8 -","8","2","","Liu, Kai; Chen, Shuang; Li, Xing Guang; Liu, Pei Nian","Multicomponent Cascade Synthesis of Trifluoroethyl Isoquinolines from Alkynes and Vinyl Azides.","The Journal of organic chemistry","2016","81","1","265","270","10.1021/acs.joc.5b01995","","","0.71073","MoKα","","0.0761","0.0435","","","0.0941","0.1101","","","","","","0.989","","","","has coordinates","234701","2020-10-21","18:00:00",""
"4036462","12.326","0.002","8.3378","0.0015","16.792","0.003","90","","109.366","0.004","90","","1628.1","0.5","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H15 N O -","- C22 H15 N O -","- C88 H60 N4 O4 -","4","1","","Miao, Chun-Bao; Zeng, Yu-Mei; Shi, Tong; Liu, Rui; Wei, Peng-Fei; Sun, Xiao-Qiang; Yang, Hai-Tao","2-Oxindole Acts as a Synthon of 2-Aminobenzoyl Anion in the K2CO3-Catalyzed Reaction with Enones: Preparation of 1,4-Diketones Bearing an Amino Group and Their Further Transformations.","The Journal of organic chemistry","2016","81","1","43","50","10.1021/acs.joc.5b02054","","","0.71073","MoKα","","0.0919","0.0513","","","0.1464","0.171","","","","","","1.057","","","","has coordinates","234725","2020-10-21","18:00:00",""
"4036463","10.4215","0.0015","13.6655","0.0019","13.0813","0.0019","90","","105.12","0.003","90","","1798.5","0.4","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C23 H19 N O2 -","- C23 H19 N O2 -","- C92 H76 N4 O8 -","4","1","","Miao, Chun-Bao; Zeng, Yu-Mei; Shi, Tong; Liu, Rui; Wei, Peng-Fei; Sun, Xiao-Qiang; Yang, Hai-Tao","2-Oxindole Acts as a Synthon of 2-Aminobenzoyl Anion in the K2CO3-Catalyzed Reaction with Enones: Preparation of 1,4-Diketones Bearing an Amino Group and Their Further Transformations.","The Journal of organic chemistry","2016","81","1","43","50","10.1021/acs.joc.5b02054","","","0.71073","MoKα","","0.0659","0.0475","","","0.1443","0.1617","","","","","","1.024","","","","has coordinates","234726","2020-10-21","18:00:00",""
"4036464","8.024","0.002","9.535","0.003","13.836","0.004","87.961","0.006","81.861","0.006","69.892","0.006","983.9","0.5","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C24 H23 N O4 -","- C24 H23 N O4 -","- C48 H46 N2 O8 -","2","1","","Miao, Chun-Bao; Zeng, Yu-Mei; Shi, Tong; Liu, Rui; Wei, Peng-Fei; Sun, Xiao-Qiang; Yang, Hai-Tao","2-Oxindole Acts as a Synthon of 2-Aminobenzoyl Anion in the K2CO3-Catalyzed Reaction with Enones: Preparation of 1,4-Diketones Bearing an Amino Group and Their Further Transformations.","The Journal of organic chemistry","2016","81","1","43","50","10.1021/acs.joc.5b02054","","","0.71073","MoKα","","0.0603","0.0499","","","0.1349","0.1414","","","","","","1.088","","","","has coordinates","234727","2020-10-21","18:00:00",""
"4036480","6.3703","0.0009","12.1555","0.0018","15.503","0.002","108.683","0.002","98.291","0.002","100.081","0.002","1093.5","0.3","100.03","","100.03","","","","","","","","","6","P -1","-P 1","2","","","","- C23 H25 N4 O P S -","- C23 H25 N4 O P S -","- C46 H50 N8 O2 P2 S2 -","2","1","","Mulla, Karimulla; Aleshire, Kyle L.; Forster, Paul M.; Kang, Jun Yong","Utility of Bifunctional N-Heterocyclic Phosphine (NHP)-Thioureas for Metal-Free Carbon-Phosphorus Bond Construction toward Regio- and Stereoselective Formation of Vinylphosphonates.","The Journal of organic chemistry","2016","81","1","77","88","10.1021/acs.joc.5b02184","","","0.71073","MoKα","","0.0385","0.0316","","","0.0775","0.0807","","","","","","1.037","","","","has coordinates","234750","2020-10-21","18:00:00",""
"4036481","18.5763","0.0009","9.734","0.0005","19.8284","0.001","90","","90","","90","","3585.4","0.3","100","","99.91","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C20 H23 N2 O3 P -","- C20 H23 N2 O3 P -","- C160 H184 N16 O24 P8 -","8","1","","Mulla, Karimulla; Aleshire, Kyle L.; Forster, Paul M.; Kang, Jun Yong","Utility of Bifunctional N-Heterocyclic Phosphine (NHP)-Thioureas for Metal-Free Carbon-Phosphorus Bond Construction toward Regio- and Stereoselective Formation of Vinylphosphonates.","The Journal of organic chemistry","2016","81","1","77","88","10.1021/acs.joc.5b02184","","","0.71073","MoKα","","0.0388","0.0298","","","0.0768","0.0807","","","","","","0.999","","","","has coordinates","234751","2020-10-21","18:00:00",""
"4036490","8.1798","0.0002","18.7387","0.0005","26.748","0.0008","90","","90","","90","","4099.9","0.19","150","2","150","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C29 H19 N O2 -","- C29 H19 N O2 -","- C232 H152 N8 O16 -","8","1","","Fischer, Fabian; Siegle, Alexander F.; Checinski, Marek; Fischer, Christine; Kral, Karolin; Thede, Richard; Trapp, Oliver; Hapke, Marko","Synthesis of Naphthylpyridines from Unsymmetrical Naphthylheptadiynes and the Configurational Stability of the Biaryl Axis.","The Journal of organic chemistry","2016","81","8","3087","3102","10.1021/acs.joc.5b02190","","","1.54178","CuKα","","0.0372","0.0337","","","0.0847","0.0877","","","","","","1.048","","","","has coordinates","234764","2020-10-21","18:00:00",""
"4036506","6.7926","0.0005","14.0221","0.0009","16.7829","0.0011","90","","90","","90","","1598.51","0.19","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","N,N'-([1,1'-biphenyl]-2,2'-diyl)-bis(N-methylacetamide)","","- C18 H20 N2 O2 -","- C18 H20 N2 O2 -","- C72 H80 N8 O8 -","4","1","","Mazzanti, Andrea; Chiarucci, Michel; Prati, Luca; Bentley, Keith W.; Wolf, Christian","Computational and DNMR Analysis of the Conformational Isomers and Stereodynamics of Secondary 2,2'-Bisanilides.","The Journal of organic chemistry","2016","81","1","89","99","10.1021/acs.joc.5b02330","","","0.71073","MoKα","","0.0509","0.0427","","","0.1242","0.1388","","","","","","1.091","","","","has coordinates","276330","2022-06-28","15:14:19",""
"4036507","9.7641","0.0004","8.7428","0.0003","17.2364","0.0007","90","","101.718","0.002","90","","1440.73","0.1","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","1,1'-Biphenyl-2,2'-diamine acetamide","","- C16 H16 N2 O2 -","- C16 H16 N2 O2 -","- C64 H64 N8 O8 -","4","1","","Mazzanti, Andrea; Chiarucci, Michel; Prati, Luca; Bentley, Keith W.; Wolf, Christian","Computational and DNMR Analysis of the Conformational Isomers and Stereodynamics of Secondary 2,2'-Bisanilides.","The Journal of organic chemistry","2016","81","1","89","99","10.1021/acs.joc.5b02330","","","0.71073","MoKα","","0.0894","0.0759","","","0.2292","0.2399","","","","","","1.135","","","","has coordinates","276330","2022-06-28","15:14:20",""
"4036508","13.1234","0.0004","15.3338","0.0004","16.3896","0.0005","90","","90","","90","","3298.11","0.17","296","2","296","2","","","","","","","","5","C 2 2 21","C 2c 2","20","","1,1'-Biphenyl-2,2'-diamine bis(trifluoromethylacetamide)","","- C16 H10 F6 N2 O2 -","- C16 H10 F6 N2 O2 -","- C128 H80 F48 N16 O16 -","8","1","","Mazzanti, Andrea; Chiarucci, Michel; Prati, Luca; Bentley, Keith W.; Wolf, Christian","Computational and DNMR Analysis of the Conformational Isomers and Stereodynamics of Secondary 2,2'-Bisanilides.","The Journal of organic chemistry","2016","81","1","89","99","10.1021/acs.joc.5b02330","","","0.71073","MoKα","","0.0464","0.0356","","","0.0838","0.0943","","","","","","1.065","","","","has coordinates,has disorder","276330","2022-06-28","15:14:20",""
"4036509","18.2405","0.0008","7.4669","0.0004","27.6578","0.0012","90","","90","","90","","3767","0.3","100","2","100","2","","","","","","","","4","P n a 21","P 2c -2n","33","","1,1'-Biphenyl-2,2'-diamine diisobutyramide","","- C20 H24 N2 O2 -","- C20 H24 N2 O2 -","- C160 H192 N16 O16 -","8","2","","Mazzanti, Andrea; Chiarucci, Michel; Prati, Luca; Bentley, Keith W.; Wolf, Christian","Computational and DNMR Analysis of the Conformational Isomers and Stereodynamics of Secondary 2,2'-Bisanilides.","The Journal of organic chemistry","2016","81","1","89","99","10.1021/acs.joc.5b02330","","","0.71073","MoKα","","0.0973","0.0682","","","0.1686","0.1913","","","","","","0.975","","","","has coordinates","276330","2022-06-28","15:14:20",""
"4036511","9.554","0.004","25.347","0.01","12.978","0.005","90","","102.53","0.007","90","","3068","2","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C28 H30 N O5 P -","- C28 H30 N O5 P -","- C112 H120 N4 O20 P4 -","4","1","","Vélez Del Burgo, Ander; Ochoa de Retana, Ana M.; de Los Santos, Jesús M; Palacios, Francisco","Reaction of 2H-Azirine-Phosphine Oxides and -Phosphonates with Enolates Derived from β-Keto Esters.","The Journal of organic chemistry","2016","81","1","100","108","10.1021/acs.joc.5b02347","","","0.71073","MoKα","","0.1332","0.0939","","","0.2851","0.3047","","","","","","1.014","","","","has coordinates","234796","2020-10-21","18:00:00",""
"4036512","8.587","0.003","10.068","0.004","13.25","0.005","102.196","0.005","101.982","0.005","99.839","0.007","1067.3","0.7","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C23 H24 N O3 P -","- C23 H24 N O3 P -","- C46 H48 N2 O6 P2 -","2","1","","Vélez Del Burgo, Ander; Ochoa de Retana, Ana M.; de Los Santos, Jesús M; Palacios, Francisco","Reaction of 2H-Azirine-Phosphine Oxides and -Phosphonates with Enolates Derived from β-Keto Esters.","The Journal of organic chemistry","2016","81","1","100","108","10.1021/acs.joc.5b02347","","","0.71073","MoKα","","0.1557","0.1185","","","0.3372","0.3576","","","","","","1.171","","","","has coordinates","234798","2020-10-21","18:00:00",""
"4036513","5.1208","0.0004","7.8498","0.0008","11.9863","0.0012","99.256","0.004","91.114","0.007","100.217","0.007","467.43","0.08","173","2","173","2","","","","","","","","4","P -1","-P 1","2","none","(Z)-2-(chloromethyl)-3-(2-hydroxyphenyl)-2-propenoic acid","","- C10 H9 Cl O3 -","- C10 H9 Cl O3 -","- C20 H18 Cl2 O6 -","2","1","","Olomola, Temitope O.; Klein, Rosalyn; Caira, Mino R.; Kaye, Perry T.","Elucidating Latent Mechanistic Complexity in Competing Acid-Catalyzed Reactions of Salicylaldehyde-Derived Baylis-Hillman Adducts.","The Journal of organic chemistry","2016","81","1","109","120","10.1021/acs.joc.5b02372","","","0.71073","MoKα","","0.1025","0.0765","","","0.2063","0.2285","","","","","","1.044","","","","has coordinates","234799","2020-10-21","18:00:00",""
"4036515","6.4683","0.0009","13.4256","0.0019","11.0713","0.0016","90","","101.845","0.002","90","","941","0.2","90","","90","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C23 H20 Br N O -","- C23 H20 Br N O -","- C46 H40 Br2 N2 O2 -","2","1","","Hirata, Tomoaki; Takahashi, Isao; Suzuki, Yuya; Yoshida, Hiroaki; Hasegawa, Hiroshi; Kitagawa, Osamu","Catalytic Enantioselective Synthesis of N-C Axially Chiral Phenanthridin-6-one Derivatives.","The Journal of organic chemistry","2016","81","1","318","323","10.1021/acs.joc.5b02387","","","0.71073","MoKα","","0.0178","0.0171","","","0.0414","0.0417","","","","","","1.043","","","","has coordinates","234802","2020-10-21","18:00:00",""
"4036516","13.9681","0.0002","10.30952","0.00019","17.1108","0.0003","90","","92.2033","0.0016","90","","2462.21","0.07","293","","293","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H30 O6 Rh S -","- C24 H27.36 O6 Rh S -","- C96 H109.44 O24 Rh4 S4 -","4","1","","Zhao, Lili; Zhang, Hongyang; Wang, Yuanhua","Dirhodium(II)-Catalyzed Sulfide Oxygenations: Catalyst Removal by Coprecipitation with Sulfoxides.","The Journal of organic chemistry","2016","81","1","129","136","10.1021/acs.joc.5b02400","","x-ray","0.71073","MoKα","","0.0716","0.0426","","","0.086","0.0935","","","","","","1.112","","","","has coordinates,has disorder","234804","2020-10-21","18:00:00",""
"4036517","11.4979","0.0003","11.639","0.0002","14.4566","0.0003","113.631","0.0018","98.7999","0.0018","106.77","0.0018","1615.5","0.07","208.26","0.1","208.26","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C32 H40 O8 Rh S2 -","- C32 H40 O8 Rh S2 -","- C64 H80 O16 Rh2 S4 -","2","1","","Zhao, Lili; Zhang, Hongyang; Wang, Yuanhua","Dirhodium(II)-Catalyzed Sulfide Oxygenations: Catalyst Removal by Coprecipitation with Sulfoxides.","The Journal of organic chemistry","2016","81","1","129","136","10.1021/acs.joc.5b02400","","x-ray","0.71073","MoKα","","0.0392","0.0333","","","0.0748","0.0783","","","","","","1.05","","","","has coordinates","234806","2020-10-21","18:00:00",""
"4036518","12.5293","0.0002","15.6705","0.0004","7.8287","0.0002","90","","107.814","0.002","90","","1463.39","0.06","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H10 Br N3 O2 -","- C15 H10 Br N3 O2 -","- C60 H40 Br4 N12 O8 -","4","1","","Šenica, Luka; Stopar, Karmen; Friedrich, Miha; Grošelj, Uroš; Plavec, Janez; Počkaj, Marta; Podlipnik, Črtomir; Štefane, Bogdan; Svete, Jurij","Synthesis and Rotational Isomerism of 1-Substituted Methyl (S)-[5-(2-Nitrophenyl)-1H-pyrazole-4-carbonyl]alaninates.","The Journal of organic chemistry","2016","81","1","146","161","10.1021/acs.joc.5b02467","","","0.71073","MoKα","","0.0552","0.0341","","","0.0899","0.1108","","","","","","1.132","","","","has coordinates","234808","2020-10-21","18:00:00",""
"4036519","10.3978","0.0005","8.8539","0.0004","18.5649","0.001","90","","101.21","0.005","90","","1676.5","0.15","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C17 H12 Cl N3 O4 -","- C17 H12 Cl N3 O4 -","- C68 H48 Cl4 N12 O16 -","4","1","","Šenica, Luka; Stopar, Karmen; Friedrich, Miha; Grošelj, Uroš; Plavec, Janez; Počkaj, Marta; Podlipnik, Črtomir; Štefane, Bogdan; Svete, Jurij","Synthesis and Rotational Isomerism of 1-Substituted Methyl (S)-[5-(2-Nitrophenyl)-1H-pyrazole-4-carbonyl]alaninates.","The Journal of organic chemistry","2016","81","1","146","161","10.1021/acs.joc.5b02467","","","0.71073","MoKα","","0.1195","0.0949","","","0.2971","0.3233","","","","","","1.039","","","","has coordinates","234808","2020-10-21","18:00:00",""
"4036520","8.1048","0.0003","9.4611","0.0004","11.8699","0.0006","89.649","0.004","83.896","0.004","77.526","0.003","883.53","0.07","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C17 H10 Cl3 N3 O4 -","- C17 H10 Cl3 N3 O4 -","- C34 H20 Cl6 N6 O8 -","2","1","","Šenica, Luka; Stopar, Karmen; Friedrich, Miha; Grošelj, Uroš; Plavec, Janez; Počkaj, Marta; Podlipnik, Črtomir; Štefane, Bogdan; Svete, Jurij","Synthesis and Rotational Isomerism of 1-Substituted Methyl (S)-[5-(2-Nitrophenyl)-1H-pyrazole-4-carbonyl]alaninates.","The Journal of organic chemistry","2016","81","1","146","161","10.1021/acs.joc.5b02467","","","0.71073","MoKα","","0.0527","0.0407","","","0.0986","0.1054","","","","","","1.103","","","","has coordinates","234808","2020-10-21","18:00:00",""
"4036521","7.9251","0.0004","8.593","0.0005","11.6468","0.0007","69.962","0.005","74.221","0.005","85.653","0.004","716.93","0.08","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C16 H10 N4 O2 -","- C16 H10 N4 O2 -","- C32 H20 N8 O4 -","2","1","","Šenica, Luka; Stopar, Karmen; Friedrich, Miha; Grošelj, Uroš; Plavec, Janez; Počkaj, Marta; Podlipnik, Črtomir; Štefane, Bogdan; Svete, Jurij","Synthesis and Rotational Isomerism of 1-Substituted Methyl (S)-[5-(2-Nitrophenyl)-1H-pyrazole-4-carbonyl]alaninates.","The Journal of organic chemistry","2016","81","1","146","161","10.1021/acs.joc.5b02467","","","0.71073","MoKα","","0.0853","0.0652","","","0.1859","0.201","","","","","","1.081","","","","has coordinates","234808","2020-10-21","18:00:00",""
"4036522","9.8681","0.0003","19.3196","0.0006","11.1852","0.0004","90","","111.754","0.002","90","","1980.57","0.11","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C20 H18 Cl N3 O3 -","- C20 H18 Cl N3 O3 -","- C80 H72 Cl4 N12 O12 -","4","2","","Šenica, Luka; Stopar, Karmen; Friedrich, Miha; Grošelj, Uroš; Plavec, Janez; Počkaj, Marta; Podlipnik, Črtomir; Štefane, Bogdan; Svete, Jurij","Synthesis and Rotational Isomerism of 1-Substituted Methyl (S)-[5-(2-Nitrophenyl)-1H-pyrazole-4-carbonyl]alaninates.","The Journal of organic chemistry","2016","81","1","146","161","10.1021/acs.joc.5b02467","","","0.71072","MoKα","","0.1419","0.076","","","0.1983","0.2475","","","","","","1.128","","","","has coordinates","234808","2020-10-21","18:00:00",""
"4036523","26.828","0.003","21.29","0.002","8.1758","0.0008","90","","90","","90","","4669.8","0.8","200","2","200","2","","","","","","","","4","P n m a","-P 2ac 2n","62","3 in paper","","","- C50 H58 Cl4 O6 -","- C50 H58 Cl4 O6 -","- C200 H232 Cl16 O24 -","4","0.5","","Rüdiger, Elias C; Rominger, Frank; Steuer, Lena; Bunz, Uwe H. F.","Synthesis of Substituted Trinaphthylenes.","The Journal of organic chemistry","2016","81","1","193","196","10.1021/acs.joc.5b02481","","","0.71073","MoKα","","0.1222","0.0884","","","0.2314","0.2601","","","","","","1.048","","","","has coordinates,has disorder","234810","2020-10-21","18:00:00",""
"4036524","25.7088","0.0014","8.779","0.0005","27.1747","0.0016","90","","108.187","0.0016","90","","5826.9","0.6","200","2","200","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","6 in paper","","","- C66 H90 O6 -","- C66 H90 O6 -","- C264 H360 O24 -","4","1","","Rüdiger, Elias C; Rominger, Frank; Steuer, Lena; Bunz, Uwe H. F.","Synthesis of Substituted Trinaphthylenes.","The Journal of organic chemistry","2016","81","1","193","196","10.1021/acs.joc.5b02481","","","0.71073","MoKα","","0.1216","0.0684","","","0.1702","0.2009","","","","","","1.034","","","","has coordinates,has disorder","234812","2020-10-21","18:00:00",""
"4036525","6.4102","0.0014","40.028","0.008","16.89","0.004","90","","90.352","0.006","90","","4333.7","1.6","200","2","200","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","4 in paper","","","- C49 H56 Cl2 O6 -","- C49 H56 Cl2 O6 -","- C196 H224 Cl8 O24 -","4","0.5","","Rüdiger, Elias C; Rominger, Frank; Steuer, Lena; Bunz, Uwe H. F.","Synthesis of Substituted Trinaphthylenes.","The Journal of organic chemistry","2016","81","1","193","196","10.1021/acs.joc.5b02481","","","0.71073","MoKα","","0.1833","0.0953","","","0.2334","0.2832","","","","","","1.042","","","","has coordinates,has disorder","234815","2020-10-21","18:00:00",""
"4036526","8.5192","0.0007","15.3684","0.0013","20.385","0.0017","87.9604","0.0015","82.649","0.0014","81.3905","0.0015","2616.8","0.4","200","2","200","2","","","","","","","","4","P -1","-P 1","2","5 in paper","","","- C56 H70 Cl4 O6 -","- C56 H70 Cl4 O6 -","- C112 H140 Cl8 O12 -","2","1","","Rüdiger, Elias C; Rominger, Frank; Steuer, Lena; Bunz, Uwe H. F.","Synthesis of Substituted Trinaphthylenes.","The Journal of organic chemistry","2016","81","1","193","196","10.1021/acs.joc.5b02481","","","0.71073","MoKα","","0.1203","0.0644","","","0.1374","0.1649","","","","","","1.025","","","","has coordinates,has disorder","234816","2020-10-21","18:00:00",""
"4036527","16.483","0.003","17.791","0.003","12.945","0.002","90","","91.095","0.006","90","","3795.4","1.1","200","2","200","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","1 in paper","","","- C39 H36 Cl6 O6 -","- C39 H36 Cl6 O6 -","- C156 H144 Cl24 O24 -","4","0.5","","Rüdiger, Elias C; Rominger, Frank; Steuer, Lena; Bunz, Uwe H. F.","Synthesis of Substituted Trinaphthylenes.","The Journal of organic chemistry","2016","81","1","193","196","10.1021/acs.joc.5b02481","","","0.71073","MoKα","","0.2185","0.1549","","","0.2725","0.2979","","","","","","1.221","","","","has coordinates","234818","2020-10-21","18:00:00",""
"4036528","9.1337","0.0008","14.8366","0.0014","17.3737","0.0016","109.186","0.003","97.454","0.003","98.746","0.003","2156.6","0.3","200","2","200","2","","","","","","","","4","P -1","-P 1","2","2 in paper","","","- C45 H48 Cl6 O6 -","- C45 H48 Cl6 O6 -","- C90 H96 Cl12 O12 -","2","1","","Rüdiger, Elias C; Rominger, Frank; Steuer, Lena; Bunz, Uwe H. F.","Synthesis of Substituted Trinaphthylenes.","The Journal of organic chemistry","2016","81","1","193","196","10.1021/acs.joc.5b02481","","","0.71073","MoKα","","0.1117","0.0697","","","0.1417","0.1715","","","","","","1.074","","","","has coordinates,has disorder","234819","2020-10-21","18:00:00",""
"4036529","17.8748","0.0009","7.8647","0.0004","10.3954","0.0005","90","","105.882","0.0006","90","","1405.6","0.12","143","2","143","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C11 H10 Br F3 O6 S -","- C11 H10 Br F3 O6 S -","- C44 H40 Br4 F12 O24 S4 -","4","1","","Horn, Evan J.; Silverston, Joel S.; Vanderwal, Christopher D.","A Failed Late-Stage Epimerization Thwarts an Approach to Ineleganolide.","The Journal of organic chemistry","2016","81","5","1819","1838","10.1021/acs.joc.5b02550","","","0.71073","MoKα","","0.0232","0.0208","","","0.0549","0.0561","","","","","","1.051","","","","has coordinates","234821","2020-10-21","18:00:00",""
"4036530","20.31","0.006","7.868","0.002","6.8379","0.0019","90","","90","","90","","1092.7","0.5","143","2","143","2","","","","","","","","3","P c a 21","P 2c -2ac","29","","","","- C12 H18 O4 -","- C12 H18 O4 -","- C48 H72 O16 -","4","1","","Horn, Evan J.; Silverston, Joel S.; Vanderwal, Christopher D.","A Failed Late-Stage Epimerization Thwarts an Approach to Ineleganolide.","The Journal of organic chemistry","2016","81","5","1819","1838","10.1021/acs.joc.5b02550","","","0.71073","MoKα","","0.0621","0.0449","","","0.1008","0.1117","","","","","","1.151","","","","has coordinates","234822","2020-10-21","18:00:00",""
"4036531","9.604","0.003","8.74","0.002","13.695","0.003","90","","96.535","0.004","90","","1142.1","0.5","125","2","125","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C18 H11 F -","- C18 H10 F -","- C72 H40 F4 -","4","1","","Banerjee, Shaibal; Sinha, Saikat; Pradhan, Padmanava; Caruso, Alessio; Liebowitz, Daniel; Parrish, Damon; Rossi, Miriam; Zajc, Barbara","Regiospecifically Fluorinated Polycyclic Aromatic Hydrocarbons via Julia-Kocienski Olefination and Oxidative Photocyclization. Effect of Fluorine Atom Substitution on Molecular Shape.","The Journal of organic chemistry","2016","81","10","3983","3993","10.1021/acs.joc.5b02580","","","0.71073","MoKα","","0.2426","0.0748","","","0.1672","0.2132","","","","","","0.782","","","","has coordinates,has disorder","234824","2020-10-21","18:00:00",""
"4036532","25.004","0.014","9.417","0.005","5.912","0.003","90","","90","","90","","1392.1","1.3","421","2","421","2","","","","","","","","2","P c a 21","P 2c -2ac","29","","","","- C22 H14 -","- C22 H14 -","- C88 H56 -","4","1","","Banerjee, Shaibal; Sinha, Saikat; Pradhan, Padmanava; Caruso, Alessio; Liebowitz, Daniel; Parrish, Damon; Rossi, Miriam; Zajc, Barbara","Regiospecifically Fluorinated Polycyclic Aromatic Hydrocarbons via Julia-Kocienski Olefination and Oxidative Photocyclization. Effect of Fluorine Atom Substitution on Molecular Shape.","The Journal of organic chemistry","2016","81","10","3983","3993","10.1021/acs.joc.5b02580","","","0.71073","MoKα","","0.047","0.0354","","","0.0782","0.0841","","","","","","1.035","","","","has coordinates","234827","2020-10-21","18:00:00",""
"4036533","13.173","0.002","5.8386","0.0009","15.894","0.002","90","","105.009","0.002","90","","1180.7","0.3","125","2","125","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C18 H11 F -","- C18 H10 F -","- C72 H40 F4 -","4","2","","Banerjee, Shaibal; Sinha, Saikat; Pradhan, Padmanava; Caruso, Alessio; Liebowitz, Daniel; Parrish, Damon; Rossi, Miriam; Zajc, Barbara","Regiospecifically Fluorinated Polycyclic Aromatic Hydrocarbons via Julia-Kocienski Olefination and Oxidative Photocyclization. Effect of Fluorine Atom Substitution on Molecular Shape.","The Journal of organic chemistry","2016","81","10","3983","3993","10.1021/acs.joc.5b02580","","","0.71073","MoKα","","0.0706","0.0591","","","0.154","0.1645","","","","","","1.187","","","","has coordinates,has disorder","234829","2020-10-21","18:00:00",""
"4036534","5.7493","0.0003","13.9077","0.0008","14.6539","0.0009","90","","90","","90","","1171.72","0.12","125","2","125","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C18 H11 F -","- C18 H10 F -","- C72 H40 F4 -","4","1","","Banerjee, Shaibal; Sinha, Saikat; Pradhan, Padmanava; Caruso, Alessio; Liebowitz, Daniel; Parrish, Damon; Rossi, Miriam; Zajc, Barbara","Regiospecifically Fluorinated Polycyclic Aromatic Hydrocarbons via Julia-Kocienski Olefination and Oxidative Photocyclization. Effect of Fluorine Atom Substitution on Molecular Shape.","The Journal of organic chemistry","2016","81","10","3983","3993","10.1021/acs.joc.5b02580","","","0.71073","MoKα","","0.0493","0.0436","","","0.108","0.1114","","","","","","1.073","","","","has coordinates,has disorder","234831","2020-10-21","18:00:00",""
"4036535","9.2304","0.0013","5.3143","0.0018","14.9947","0.0011","90","","104.81","","90","","711.1","0.3","296","2","296","2","","","","","","","","3","P 1 21 1","P 2yb","4","","9-fluorobenzo[g]chrysene","","- C22 H13 F -","- C22 H13 F -","- C44 H26 F2 -","2","1","","Banerjee, Shaibal; Sinha, Saikat; Pradhan, Padmanava; Caruso, Alessio; Liebowitz, Daniel; Parrish, Damon; Rossi, Miriam; Zajc, Barbara","Regiospecifically Fluorinated Polycyclic Aromatic Hydrocarbons via Julia-Kocienski Olefination and Oxidative Photocyclization. Effect of Fluorine Atom Substitution on Molecular Shape.","The Journal of organic chemistry","2016","81","10","3983","3993","10.1021/acs.joc.5b02580","","","0.71073","MoKα","","0.0547","0.0343","","","0.069","0.0745","","","","","","0.858","","","","has coordinates","234833","2020-10-21","18:00:00",""
"4036536","12.0445","0.0017","7.3901","0.001","31.14","0.004","90","","90","","90","","2771.8","0.6","296","2","296","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C22 H13 F -","- C22 H13 F -","- C176 H104 F8 -","8","1","","Banerjee, Shaibal; Sinha, Saikat; Pradhan, Padmanava; Caruso, Alessio; Liebowitz, Daniel; Parrish, Damon; Rossi, Miriam; Zajc, Barbara","Regiospecifically Fluorinated Polycyclic Aromatic Hydrocarbons via Julia-Kocienski Olefination and Oxidative Photocyclization. Effect of Fluorine Atom Substitution on Molecular Shape.","The Journal of organic chemistry","2016","81","10","3983","3993","10.1021/acs.joc.5b02580","","","0.71073","MoKα","","0.1105","0.0494","","","0.1201","0.1498","","","","","","1.025","","","","has coordinates","234835","2020-10-21","18:00:00",""
"4036537","22.64","0.04","6.163","0.012","8.231","0.015","90","","97.56","0.03","90","","1138","4","125","2","125","2","","","","","","","","2","C 1 2/c 1","-C 2yc","15","","","","- C18 H12 -","- C18 H12 -","- C72 H48 -","4","0.5","","Banerjee, Shaibal; Sinha, Saikat; Pradhan, Padmanava; Caruso, Alessio; Liebowitz, Daniel; Parrish, Damon; Rossi, Miriam; Zajc, Barbara","Regiospecifically Fluorinated Polycyclic Aromatic Hydrocarbons via Julia-Kocienski Olefination and Oxidative Photocyclization. Effect of Fluorine Atom Substitution on Molecular Shape.","The Journal of organic chemistry","2016","81","10","3983","3993","10.1021/acs.joc.5b02580","","","0.71073","MoKα","","0.0886","0.0544","","","0.1584","0.209","","","","","","1.039","","","","has coordinates","234837","2020-10-21","18:00:00",""
"4036538","7.7964","0.0007","11.2871","0.001","12.1556","0.001","85.121","0.003","86.964","0.002","82.875","0.002","1056.6","0.16","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C23 H24 Br N O4 -","- C23 H24 Br N O4 -","- C46 H48 Br2 N2 O8 -","2","1","","Miller, Ricarda; Carreras, Javier; Muratore, Michael E.; Gaydou, Morgane; Camponovo, Francesco; Echavarren, Antonio M.","Broad Scope Aminocyclization of Enynes with Cationic JohnPhos-Gold(I) Complex as the Catalyst.","The Journal of organic chemistry","2016","81","5","1839","1849","10.1021/acs.joc.5b02607","","","0.71073","MoKα","","0.0361","0.0307","","","0.0775","0.0802","","","","","","1.043","","","","has coordinates","234839","2020-10-21","18:00:00",""
"4036539","10.8261","0.0008","13.3487","0.001","13.767","0.0012","90","","109.233","0.002","90","","1878.5","0.3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H24 Br N O4 -","- C19 H24 Br N O4 -","- C76 H96 Br4 N4 O16 -","4","1","","Miller, Ricarda; Carreras, Javier; Muratore, Michael E.; Gaydou, Morgane; Camponovo, Francesco; Echavarren, Antonio M.","Broad Scope Aminocyclization of Enynes with Cationic JohnPhos-Gold(I) Complex as the Catalyst.","The Journal of organic chemistry","2016","81","5","1839","1849","10.1021/acs.joc.5b02607","","","0.71073","MoKα","","0.0708","0.04","","","0.091","0.1003","","","","","","1.039","","","","has coordinates","234840","2020-10-21","18:00:00",""
"4036540","19.972","0.0015","16.8768","0.0014","14.6858","0.0011","90","","102.828","0.003","90","","4826.5","0.7","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C25 H23 F6 N O4 -","- C25 H23 F6 N O4 -","- C200 H184 F48 N8 O32 -","8","1","","Miller, Ricarda; Carreras, Javier; Muratore, Michael E.; Gaydou, Morgane; Camponovo, Francesco; Echavarren, Antonio M.","Broad Scope Aminocyclization of Enynes with Cationic JohnPhos-Gold(I) Complex as the Catalyst.","The Journal of organic chemistry","2016","81","5","1839","1849","10.1021/acs.joc.5b02607","","","0.71073","MoKα","","0.0797","0.0458","","","0.1053","0.1209","","","","","","1.017","","","","has coordinates,has disorder","234842","2020-10-21","18:00:00",""
"4036541","7.886","0.002","16.68","0.005","9.935","0.003","90","","102.028","0.007","90","","1278.1","0.6","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C12 H15 N3 O4 -","- C12 H15 N3 O4 -","- C48 H60 N12 O16 -","4","1","","Miller, Ricarda; Carreras, Javier; Muratore, Michael E.; Gaydou, Morgane; Camponovo, Francesco; Echavarren, Antonio M.","Broad Scope Aminocyclization of Enynes with Cationic JohnPhos-Gold(I) Complex as the Catalyst.","The Journal of organic chemistry","2016","81","5","1839","1849","10.1021/acs.joc.5b02607","","","0.71073","MoKα","","0.0792","0.0655","","","0.1778","0.1864","","","","","","1.166","","","","has coordinates,has disorder","234844","2020-10-21","18:00:00",""
"4036542","13.1005","0.0006","15.4782","0.0008","11.8098","0.0006","90","","96.704","0.0014","90","","2378.3","0.2","153","2","153","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C21 H16 Cl F7 N4 O6 -","- C21 H16 Cl F7 N4 O6 -","- C84 H64 Cl4 F28 N16 O24 -","4","1","","Luo, Qiang; Liu, Chunmei; Tong, Jingjing; Shao, Ying; Shan, Wenyu; Wang, Hanghang; Zheng, Hao; Cheng, Jiang; Wan, Xiaobing","Cu-Catalyzed Multicomponent Reaction of Styrenes, Perfluoroalkyl Halide, Alcohol, and tert-Butyl Hydroperoxide: One-Pot Synthesis of (Z)-β-Alkoxyperfluoroalkenone.","The Journal of organic chemistry","2016","81","8","3103","3111","10.1021/acs.joc.5b02664","","","0.71073","MoKα","","0.0659","0.0394","","","0.084","0.0942","","","","","","1.016","","","","has coordinates","234846","2020-10-21","18:00:00",""
"4036543","12.8293","0.0007","7.2371","0.0004","20.234","0.0011","90","","94.7353","0.0013","90","","1872.25","0.18","90","2","90","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C21 H26 O4 -","- C21 H26 O4 -","- C84 H104 O16 -","4","1","","Singh, Latika; Pressly, Brandon; Mengeling, Brenda J.; Fettinger, James C.; Furlow, J. David; Lein, Pamela J.; Wulff, Heike; Singh, Vikrant","Chasing the Elusive Benzofuran Impurity of the THR Antagonist NH-3: Synthesis, Isotope Labeling, and Biological Activity.","The Journal of organic chemistry","2016","81","5","1870","1876","10.1021/acs.joc.5b02665","","","1.54178","CuKα","","0.0375","0.0367","","","0.0961","0.0967","","","","","","1.063","","","","has coordinates","234848","2020-10-21","18:00:00",""
"4036544","40.9253","0.0008","5.5276","0.0001","24.9684","0.0005","90","","91.4288","0.0008","90","","5646.56","0.19","90","2","90","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C29 H28 Cl3 N O6 -","- C29 H28 Cl3 N O6 -","- C232 H224 Cl24 N8 O48 -","8","1","","Singh, Latika; Pressly, Brandon; Mengeling, Brenda J.; Fettinger, James C.; Furlow, J. David; Lein, Pamela J.; Wulff, Heike; Singh, Vikrant","Chasing the Elusive Benzofuran Impurity of the THR Antagonist NH-3: Synthesis, Isotope Labeling, and Biological Activity.","The Journal of organic chemistry","2016","81","5","1870","1876","10.1021/acs.joc.5b02665","","","1.54178","CuKα","","0.0445","0.0396","","","0.1047","0.1087","","","","","","1.045","","","","has coordinates,has disorder","234850","2020-10-21","18:00:00",""
"4036545","9.61329","0.00018","9.54113","0.00015","16.1853","0.0003","90","","96.3113","0.0018","90","","1475.55","0.05","200","","200","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C24 H40 N4 O6 S2 -","- C24 H40 N4 O6 S2 -","- C48 H80 N8 O12 S4 -","2","1","","Martí-Centelles, Vicente; Burguete, M. Isabel; Luis, Santiago V.","Macrocycle Synthesis by Chloride-Templated Amide Bond Formation.","The Journal of organic chemistry","2016","81","5","2143","2147","10.1021/acs.joc.5b02676","","x-ray","1.54184","CuKα","","0.0448","0.0438","","","0.1215","0.1231","","","","","","1.052","","","","has coordinates,has disorder","234852","2020-10-21","18:00:00",""
"4036546","12.5875","0.0004","11.6251","0.0003","15.0354","0.0004","90","","109.377","0.006","90","","2075.52","0.13","293","2","293","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C22 H20 Br N3 O4 -","- C22 H20 Br N3 O4 -","- C88 H80 Br4 N12 O16 -","4","1","","Stucchi, Mattia; Lesma, Giordano; Meneghetti, Fiorella; Rainoldi, Giulia; Sacchetti, Alessandro; Silvani, Alessandra","Organocatalytic Asymmetric Biginelli-like Reaction Involving Isatin.","The Journal of organic chemistry","2016","81","5","1877","1884","10.1021/acs.joc.5b02680","","x-ray","0.71073","MoKα","","0.0714","0.0443","","","0.12","0.1363","","","","","","1.047","","","","has coordinates","234853","2020-10-21","18:00:00",""
"4036547","9.7985","0.0003","10.1396","0.0004","19.4403","0.0007","89.593","0.001","83.894","0.001","68.851","0.001","1790.12","0.11","150","2","150","2","","","","","","","synthesized by the authors","6","P 1","P 1","1","","","","- C38 H36 F6 N3 O6.5 S2 -","- C38 H36 F6 N3 O6.5 S2 -","- C76 H72 F12 N6 O13 S4 -","2","2","","Coe, Benjamin J.; Rusanova, Daniela; Joshi, Vishwas D.; Sánchez, Sergio; Vávra, Jan; Khobragade, Dushant; Severa, Lukáš; Císařová, Ivana; Šaman, David; Pohl, Radek; Clays, Koen; Depotter, Griet; Brunschwig, Bruce S.; Teplý, Filip","Helquat Dyes: Helicene-like Push-Pull Systems with Large Second-Order Nonlinear Optical Responses.","The Journal of organic chemistry","2016","81","5","1912","1920","10.1021/acs.joc.5b02692","","","0.71073","MoKα","","0.0813","0.0712","","","0.1899","0.2011","","","","","","1.013","","","","has coordinates","251896","2020-10-21","18:00:00",""
"4036548","8.385","0.0012","23.46","0.003","15.353","0.002","90","","96.621","0.007","90","","3000","0.7","150","2","150","2","","","","","","","synthesized by the authors","5","P 1 21/c 1","-P 2ybc","14","","","","- C30 H29 F12 N3 P2 -","- C30 H29 F12 N3 P2 -","- C120 H116 F48 N12 P8 -","4","1","","Coe, Benjamin J.; Rusanova, Daniela; Joshi, Vishwas D.; Sánchez, Sergio; Vávra, Jan; Khobragade, Dushant; Severa, Lukáš; Císařová, Ivana; Šaman, David; Pohl, Radek; Clays, Koen; Depotter, Griet; Brunschwig, Bruce S.; Teplý, Filip","Helquat Dyes: Helicene-like Push-Pull Systems with Large Second-Order Nonlinear Optical Responses.","The Journal of organic chemistry","2016","81","5","1912","1920","10.1021/acs.joc.5b02692","","","0.71073","MoKα","","0.0634","0.0528","","","0.1483","0.1578","","","","","","1.042","","","","has coordinates","234857","2020-10-21","18:00:00",""
"4036549","5.8866","0.0002","8.325","0.0002","38.2408","0.001","90","","90","","90","","1874.03","0.09","296","2","296","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C17 H20 F N3 O5 S -","- C17 H20 F N3 O5 S -","- C68 H80 F4 N12 O20 S4 -","4","1","","Wu, Yong-Jin; Guernon, Jason; Park, Hyunsoo; Thompson, Lorin A.","Expedient Synthesis of Furo[2,3-d][1,3]thiazinamines and Pyrano[2,3-d][1,3]thiazinamines from Enones and Thiourea.","The Journal of organic chemistry","2016","81","8","3386","3390","10.1021/acs.joc.5b02705","","x-ray","1.54178","CuKα","","0.0272","0.0267","","","0.0723","0.0727","","","","","","1.046","","","","has coordinates","234859","2020-10-21","18:00:00",""
"4036550","5.8864","0.0002","8.3268","0.0003","38.2524","0.0012","90","","90","","90","","1874.94","0.11","296","2","296","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C17 H20 F N3 O5 S -","- C17 H20 F N3 O5 S -","- C68 H80 F4 N12 O20 S4 -","4","1","","Wu, Yong-Jin; Guernon, Jason; Park, Hyunsoo; Thompson, Lorin A.","Expedient Synthesis of Furo[2,3-d][1,3]thiazinamines and Pyrano[2,3-d][1,3]thiazinamines from Enones and Thiourea.","The Journal of organic chemistry","2016","81","8","3386","3390","10.1021/acs.joc.5b02705","","x-ray","1.54178","CuKα","","0.0262","0.026","","","0.0678","0.0679","","","","","","1.087","","","","has coordinates","234859","2020-10-21","18:00:00",""
"4036551","9.8803","0.0007","10.8574","0.0007","12.6802","0.0009","82.68","0.003","70.815","0.003","83.638","0.003","1270.79","0.15","122","2","122","","","","","","","","","5","P -1","-P 1","2","","","","- C33 H19 B N6 O -","- C33 H19 B N6 O -","- C66 H38 B2 N12 O2 -","2","1","","Gotfredsen, Henrik; Jevric, Martyn; Broman, Søren L; Petersen, Anne U.; Nielsen, Mogens Brøndsted","Aluminum Chloride Mediated Alkynylation of Boron Subphthalocyanine Chloride Using Trimethylsilyl-Capped Acetylenes.","The Journal of organic chemistry","2016","81","1","1","5","10.1021/acs.joc.5b02719","","x-ray","0.71073","MoKα","","0.0631","0.0437","","","0.0971","0.106","","","","","","1.041","","","","has coordinates","234862","2020-10-21","18:00:00",""
"4036552","8.0159","0.0011","12.6153","0.0013","17.649","0.002","91.609","0.004","94.08","0.005","104.775","0.004","1719.4","0.4","122","2","122","","","","","","","","","6","P -1","-P 1","2","","","","- C41 H29 B Fe N6 Si -","- C41 H29 B Fe N6 Si -","- C82 H58 B2 Fe2 N12 Si2 -","2","1","","Gotfredsen, Henrik; Jevric, Martyn; Broman, Søren L; Petersen, Anne U.; Nielsen, Mogens Brøndsted","Aluminum Chloride Mediated Alkynylation of Boron Subphthalocyanine Chloride Using Trimethylsilyl-Capped Acetylenes.","The Journal of organic chemistry","2016","81","1","1","5","10.1021/acs.joc.5b02719","","x-ray","0.71073","MoKα","","0.0765","0.0497","","","0.1087","0.1192","","","","","","1.039","","","","has coordinates","234863","2020-10-21","18:00:00",""
"4036553","11.5499","0.0018","13.613","0.002","13.749","0.002","72.403","0.006","68.708","0.006","83.03","0.006","1919.8","0.5","122","2","122","","","","","","","","","4","P -1","-P 1","2","","","","- C50 H38 B N7 -","- C50 H38 B N7 -","- C100 H76 B2 N14 -","2","1","","Gotfredsen, Henrik; Jevric, Martyn; Broman, Søren L; Petersen, Anne U.; Nielsen, Mogens Brøndsted","Aluminum Chloride Mediated Alkynylation of Boron Subphthalocyanine Chloride Using Trimethylsilyl-Capped Acetylenes.","The Journal of organic chemistry","2016","81","1","1","5","10.1021/acs.joc.5b02719","","x-ray","0.71073","MoKα","","0.0839","0.0556","","","0.1303","0.1444","","","","","","1.016","","","","has coordinates","234865","2020-10-21","18:00:00",""
"4036554","10.052","0.003","11.868","0.004","12.406","0.004","103.051","0.011","105.779","0.011","107.469","0.011","1280.1","0.7","122","2","122","","","","","","","","","5","P -1","-P 1","2","","","","- C34 H21 B Fe N6 -","- C34 H21 B Fe N6 -","- C68 H42 B2 Fe2 N12 -","2","1","","Gotfredsen, Henrik; Jevric, Martyn; Broman, Søren L; Petersen, Anne U.; Nielsen, Mogens Brøndsted","Aluminum Chloride Mediated Alkynylation of Boron Subphthalocyanine Chloride Using Trimethylsilyl-Capped Acetylenes.","The Journal of organic chemistry","2016","81","1","1","5","10.1021/acs.joc.5b02719","","x-ray","0.71073","MoKα","","0.0584","0.0412","","","0.1072","0.1181","","","","","","1.0567","","","","has coordinates","234867","2020-10-21","18:00:00",""
"4036555","12.4475","0.0011","10.8201","0.0009","17.2007","0.0012","90","","97.504","0.009","90","","2296.8","0.3","294.13","0.1","294.13","0.1","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C25 H32 O3 -","- C25 H32 O3 -","- C100 H128 O12 -","4","1","","Zhang, Xiang-Zhi; Du, Ji-Yuan; Deng, Yu-Hua; Chu, Wen-Dao; Yan, Xu; Yu, Ke-Yin; Fan, Chun-An","Spirocyclopropanation Reaction of para-Quinone Methides with Sulfonium Salts: The Synthesis of Spirocyclopropanyl para-Dienones.","The Journal of organic chemistry","2016","81","6","2598","2606","10.1021/acs.joc.5b02725","","","0.7107","MoKα","","0.1248","0.072","","","0.1749","0.224","","","","","","1.036","","","","has coordinates","234868","2020-10-21","18:00:00",""
"4036556","10.4772","0.0012","37.395","0.005","6.0408","0.0007","90","","97.275","0.01","90","","2347.7","0.5","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C25 H34 O4 -","- C25 H34 O4 -","- C100 H136 O16 -","4","1","","Zhang, Xiang-Zhi; Du, Ji-Yuan; Deng, Yu-Hua; Chu, Wen-Dao; Yan, Xu; Yu, Ke-Yin; Fan, Chun-An","Spirocyclopropanation Reaction of para-Quinone Methides with Sulfonium Salts: The Synthesis of Spirocyclopropanyl para-Dienones.","The Journal of organic chemistry","2016","81","6","2598","2606","10.1021/acs.joc.5b02725","","","0.7107","MoKα","","0.165","0.0923","","","0.1996","0.2528","","","","","","1.052","","","","has coordinates","234870","2020-10-21","18:00:00",""
"4036557","10.239","0.0004","19.3276","0.0007","12.6233","0.0006","90","","99.987","0.004","90","","2460.24","0.18","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C26 H36 O4 -","- C26 H36 O4 -","- C104 H144 O16 -","4","1","","Zhang, Xiang-Zhi; Du, Ji-Yuan; Deng, Yu-Hua; Chu, Wen-Dao; Yan, Xu; Yu, Ke-Yin; Fan, Chun-An","Spirocyclopropanation Reaction of para-Quinone Methides with Sulfonium Salts: The Synthesis of Spirocyclopropanyl para-Dienones.","The Journal of organic chemistry","2016","81","6","2598","2606","10.1021/acs.joc.5b02725","","","0.7107","MoKα","","0.111","0.0654","","","0.1695","0.2047","","","","","","1.054","","","","has coordinates","234871","2020-10-21","18:00:00",""
"4036558","9.0267","0.0009","11.728","0.0013","17.0697","0.0019","94.502","0.009","93.203","0.008","109.533","0.01","1691.3","0.3","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- C21 H18 O3 -","- C21 H18 O3 -","- C84 H72 O12 -","4","2","","Zhang, Xiang-Zhi; Du, Ji-Yuan; Deng, Yu-Hua; Chu, Wen-Dao; Yan, Xu; Yu, Ke-Yin; Fan, Chun-An","Spirocyclopropanation Reaction of para-Quinone Methides with Sulfonium Salts: The Synthesis of Spirocyclopropanyl para-Dienones.","The Journal of organic chemistry","2016","81","6","2598","2606","10.1021/acs.joc.5b02725","","","1.54184","CuKα","","0.0776","0.0659","","","0.1862","0.2018","","","","","","1.095","","","","has coordinates","234872","2020-10-21","18:00:00",""
"4036559","7.2483","0.0002","7.3559","0.0002","13.6601","0.0003","90","","92.012","0.002","90","","727.88","0.03","100","1","100","1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C16 H19 N O5 -","- C16 H19 N O5 -","- C32 H38 N2 O10 -","2","1","","Choe, Hyeonjeong; Pham, Thuy Trang; Lee, Joo Yun; Latif, Muhammad; Park, Haeil; Kang, Young Kee; Lee, Jongkook","Remote Stereoinductive Intramolecular Nitrile Oxide Cycloaddition: Asymmetric Total Synthesis and Structure Revision of (-)-11β-Hydroxycurvularin.","The Journal of organic chemistry","2016","81","6","2612","2617","10.1021/acs.joc.5b02760","","","0.71073","MoKα","","0.0382","0.0341","","","0.0723","0.0746","","","","","","1.039","","","","has coordinates","234874","2020-10-21","18:00:00",""
"4036560","7.5558","0.001","13.3993","0.0017","14.2195","0.0018","83.276","0.003","80.259","0.003","78.211","0.003","1383.8","0.3","200","2","200","2","","","","","","","","4","P -1","-P 1","2","54 in manuscript","","","- C28 H38 O5 Si -","- C28 H38 O5 Si -","- C56 H76 O10 Si2 -","2","1","","Essig, Sebastian; Menche, Dirk","Stereoselective Synthesis of Isochromanones by an Asymmetric Ortho-Lithiation Strategy: Synthetic Access to the Isochromanone Core of the Ajudazols.","The Journal of organic chemistry","2016","81","5","1943","1966","10.1021/acs.joc.5b02781","","","0.71073","MoKα","","0.075","0.0551","","","0.1162","0.1277","","","","","","1.138","","","","has coordinates,has disorder","234876","2020-10-21","18:00:00",""
"4036561","11.406","0.003","13.239","0.003","23.993","0.007","90","","90","","90","","3623","1.6","200","2","200","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","57 in manuscript","","","- C32 H59 N O4 Si2 -","- C32 H59 N O4 Si2 -","- C128 H236 N4 O16 Si8 -","4","1","","Essig, Sebastian; Menche, Dirk","Stereoselective Synthesis of Isochromanones by an Asymmetric Ortho-Lithiation Strategy: Synthetic Access to the Isochromanone Core of the Ajudazols.","The Journal of organic chemistry","2016","81","5","1943","1966","10.1021/acs.joc.5b02781","","","0.71073","MoKα","","0.0796","0.0528","","","0.1101","0.1188","","","","","","0.886","","","","has coordinates","234876","2020-10-21","18:00:00",""
"4036562","11.4204","0.0008","17.2635","0.0013","33.066","0.003","90","","90","","90","","6519.2","0.9","200","2","200","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","41 in manuscript","","","- C29 H52 N O4 Si -","- C29 H52 N O4 Si -","- C232 H416 N8 O32 Si8 -","8","2","","Essig, Sebastian; Menche, Dirk","Stereoselective Synthesis of Isochromanones by an Asymmetric Ortho-Lithiation Strategy: Synthetic Access to the Isochromanone Core of the Ajudazols.","The Journal of organic chemistry","2016","81","5","1943","1966","10.1021/acs.joc.5b02781","","","0.71073","MoKα","","0.0583","0.044","","","0.1004","0.1078","","","","","","1.047","","","","has coordinates","234876","2020-10-21","18:00:00",""
"4036563","14.6819","0.0006","27.0915","0.0011","15.1614","0.0007","90","","91.392","0.001","90","","6028.7","0.4","200","2","200","2","","","","","","","","4","P 1 21 1","P 2yb","4","72 in manuscript","","","- C26 H44 O4 Si2 -","- C26 H44 O4 Si2 -","- C208 H352 O32 Si16 -","8","4","","Essig, Sebastian; Menche, Dirk","Stereoselective Synthesis of Isochromanones by an Asymmetric Ortho-Lithiation Strategy: Synthetic Access to the Isochromanone Core of the Ajudazols.","The Journal of organic chemistry","2016","81","5","1943","1966","10.1021/acs.joc.5b02781","","","0.71073","MoKα","","0.0874","0.0584","","","0.1432","0.1606","","","","","","1.011","","","","has coordinates,has disorder","234876","2020-10-21","18:00:00",""
"4036564","15.6","0.004","15.6","0.004","22.648","0.007","90","","90","","90","","5512","3","200","2","200","2","","","","","","","","4","P 41 21 2","P 4abw 2nw","92","67 in manuscript","","","- C26 H42 N O4 -","- C26 H42 N O4 -","- C208 H336 N8 O32 -","8","1","","Essig, Sebastian; Menche, Dirk","Stereoselective Synthesis of Isochromanones by an Asymmetric Ortho-Lithiation Strategy: Synthetic Access to the Isochromanone Core of the Ajudazols.","The Journal of organic chemistry","2016","81","5","1943","1966","10.1021/acs.joc.5b02781","","","0.71073","MoKα","","0.0761","0.058","","","0.1505","0.1625","","","","","","1.05","","","","has coordinates","234876","2020-10-21","18:00:00",""
"4036565","8.4568","0.0006","8.586","0.0004","13.1824","0.0007","99.649","0.004","94.116","0.005","94.563","0.005","937.11","0.1","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C19 H14 Br F3 O4 S -","- C19 H14 Br F3 O4 S -","- C38 H28 Br2 F6 O8 S2 -","2","1","","Saulnier, Steve; Golovanov, Alexander A.; Ivanov, Alexandr Yu; Boyarskaya, Irina A.; Vasilyev, Aleksander V.","Transformations of Conjugated Enynones in the Superacid CF3SO3H. Synthesis of Butadienyl Triflates, Indanones, and Indenes.","The Journal of organic chemistry","2016","81","5","1967","1980","10.1021/acs.joc.5b02785","","","1.54184","CuKα","","0.0474","0.0402","","","0.1018","0.11","","","","","","1.05","","","","has coordinates","234879","2020-10-21","18:00:00",""
"4036566","17.2307","0.0004","5.43162","0.00016","14.8169","0.0004","90","","98.184","0.002","90","","1372.6","0.06","100.01","0.1","100.01","0.1","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C18 H16 O3 -","- C18 H16 O3 -","- C72 H64 O12 -","4","1","","Saulnier, Steve; Golovanov, Alexander A.; Ivanov, Alexandr Yu; Boyarskaya, Irina A.; Vasilyev, Aleksander V.","Transformations of Conjugated Enynones in the Superacid CF3SO3H. Synthesis of Butadienyl Triflates, Indanones, and Indenes.","The Journal of organic chemistry","2016","81","5","1967","1980","10.1021/acs.joc.5b02785","","","1.54184","CuKα","","0.0453","0.0376","","","0.12","0.1304","","","","","","1.024","","","","has coordinates","234880","2020-10-21","18:00:00",""
"4036567","14.3087","0.001","7.3431","0.0004","14.219","0.0009","90","","116.132","0.008","90","","1341.28","0.17","100.01","0.1","100.01","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H13 Cl O2 -","- C17 H13 Cl O2 -","- C68 H52 Cl4 O8 -","4","1","","Saulnier, Steve; Golovanov, Alexander A.; Ivanov, Alexandr Yu; Boyarskaya, Irina A.; Vasilyev, Aleksander V.","Transformations of Conjugated Enynones in the Superacid CF3SO3H. Synthesis of Butadienyl Triflates, Indanones, and Indenes.","The Journal of organic chemistry","2016","81","5","1967","1980","10.1021/acs.joc.5b02785","","","1.54184","CuKα","","0.0451","0.0368","","","0.0935","0.1017","","","","","","1.071","","","","has coordinates","234882","2020-10-21","18:00:00",""
"4036568","20.6536","0.0018","8.4595","0.0006","10.5343","0.0009","90","","102.696","0.008","90","","1795.5","0.3","100.01","0.1","100.01","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C18 H12 Cl F3 O4 S -","- C18 H12 Cl F3 O4 S -","- C72 H48 Cl4 F12 O16 S4 -","4","1","","Saulnier, Steve; Golovanov, Alexander A.; Ivanov, Alexandr Yu; Boyarskaya, Irina A.; Vasilyev, Aleksander V.","Transformations of Conjugated Enynones in the Superacid CF3SO3H. Synthesis of Butadienyl Triflates, Indanones, and Indenes.","The Journal of organic chemistry","2016","81","5","1967","1980","10.1021/acs.joc.5b02785","","","1.54184","CuKα","","0.1054","0.0934","","","0.1937","0.2041","","","","","","1.068","","","","has coordinates","234884","2020-10-21","18:00:00",""
"4036569","8.3281","0.0002","15.4335","0.0002","10.2295","0.0002","90","","111.229","0.003","90","","1225.59","0.05","293","","293","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C21 H36 N O6 P -","- C21 H36 N O6 P -","- C42 H72 N2 O12 P2 -","2","1","","Audran, Gérard; Brémond, Paul; Marque, Sylvain R. A.; Yamasaki, Toshihide","C-ON Bond Homolysis of Alkoxyamines, Part 11: Activation of the Nitroxyl Fragment.","The Journal of organic chemistry","2016","81","5","1981","1988","10.1021/acs.joc.5b02790","","x-ray","1.54184","CuKα","","0.0318","0.0305","","","0.084","0.0856","","","","","","1.032","","","","has coordinates","234886","2020-10-21","18:00:00",""
"4036570","15.9524","0.0003","8.81848","0.00011","17.6457","0.0002","90","","104.134","0.0015","90","","2407.18","0.06","293","","293","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C21 H36 N O6 P -","- C21 H36 N O6 P -","- C84 H144 N4 O24 P4 -","4","1","","Audran, Gérard; Brémond, Paul; Marque, Sylvain R. A.; Yamasaki, Toshihide","C-ON Bond Homolysis of Alkoxyamines, Part 11: Activation of the Nitroxyl Fragment.","The Journal of organic chemistry","2016","81","5","1981","1988","10.1021/acs.joc.5b02790","","x-ray","1.54184","CuKα","","0.046","0.0409","","","0.1147","0.1208","","","","","","1.059","","","","has coordinates,has disorder","234888","2020-10-21","18:00:00",""
"4036571","9.0756","0.0003","16.0249","0.0008","16.9442","0.0008","90","0.01","100.193","0.002","90","0.01","2425.4","0.19","298","","","","","","","","","","Local laboratory","5","P 1 21/n 1","-P 2yn","14","","","","- C21 H36 N O5 P -","- C16.8 H30.4 N0.8 O4 P0.8 -","- C84 H152 N4 O20 P4 -","5","1.25","","Audran, Gérard; Brémond, Paul; Marque, Sylvain R. A.; Yamasaki, Toshihide","C-ON Bond Homolysis of Alkoxyamines, Part 11: Activation of the Nitroxyl Fragment.","The Journal of organic chemistry","2016","81","5","1981","1988","10.1021/acs.joc.5b02790","","","0.71073","xray","","","0.062","","","0.095","","","","","1.996","1.996","","","","","has coordinates","234889","2020-10-21","18:00:00",""
"4036572","14.2019","0.001","12.1086","0.0007","14.2955","0.0008","90","","102.371","0.006","90","","2401.2","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C21 H38 N O5 P -","- C21 H38 N O5 P -","- C84 H152 N4 O20 P4 -","4","1","","Audran, Gérard; Brémond, Paul; Marque, Sylvain R. A.; Yamasaki, Toshihide","C-ON Bond Homolysis of Alkoxyamines, Part 11: Activation of the Nitroxyl Fragment.","The Journal of organic chemistry","2016","81","5","1981","1988","10.1021/acs.joc.5b02790","","x-ray","0.71073","MoKα","","0.1148","0.0712","","","0.1768","0.2049","","","","","","1.043","","","","has coordinates","234890","2020-10-21","18:00:00",""
"4036573","17.7101","0.0009","6.3887","0.0005","37.13","0.003","90","","95.118","0.007","90","","4184.3","0.5","273.77","0.1","273.77","0.1","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C26 H22 Br2 O2 -","- C26 H22 Br2 O2 -","- C208 H176 Br16 O16 -","8","1","","Zhang, Yu-Fei; Tian, Wan-Fa; Cao, Xiao-Ping; Kuck, Dietmar; Chow, Hak-Fun","o-Quinones Derived from Tribenzotriquinacenes: Functionalization of Inner Bay Positions and Use for Single-Wing Extensions.","The Journal of organic chemistry","2016","81","6","2308","2319","10.1021/acs.joc.5b02806","","x-ray","0.71073","MoKα","","0.1268","0.0704","","","0.1299","0.1549","","","","","","1.037","","","","has coordinates","234892","2020-10-21","18:00:00",""
"4036574","10.5292","0.0008","11.7378","0.001","25.986","0.002","81.345","0.007","85.62","0.006","68.07","0.007","2944.6","0.4","294.81","0.1","294.81","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C10.15 H7.69 Cl1.54 N0.62 -","- C10.1538 H7.69231 Cl1.53846 N0.615385 -","- C132 H100 Cl20 N8 -","13","6.5","","Zhang, Yu-Fei; Tian, Wan-Fa; Cao, Xiao-Ping; Kuck, Dietmar; Chow, Hak-Fun","o-Quinones Derived from Tribenzotriquinacenes: Functionalization of Inner Bay Positions and Use for Single-Wing Extensions.","The Journal of organic chemistry","2016","81","6","2308","2319","10.1021/acs.joc.5b02806","","","0.71073","MoKα","","0.1506","0.0926","","","0.2409","0.2943","","","","","","1.066","","","","has coordinates","234893","2020-10-21","18:00:00",""
"4036575","20.9274","0.001","15.0038","0.0006","6.3388","0.0004","90","","90","","90","","1990.32","0.18","291.73","0.1","291.73","0.1","","","","","","","","3","P n 21 a","P -2ac -2n","33","","","","- C27 H26 O -","- C27 H26 O -","- C108 H104 O4 -","4","1","","Zhang, Yu-Fei; Tian, Wan-Fa; Cao, Xiao-Ping; Kuck, Dietmar; Chow, Hak-Fun","o-Quinones Derived from Tribenzotriquinacenes: Functionalization of Inner Bay Positions and Use for Single-Wing Extensions.","The Journal of organic chemistry","2016","81","6","2308","2319","10.1021/acs.joc.5b02806","","x-ray","0.71073","MoKα","","0.1198","0.0816","","","0.2159","0.2766","","","","","","1.051","","","","has coordinates","234894","2020-10-21","18:00:00",""
"4036576","9.8861","0.0005","23.7464","0.0014","10.5247","0.0015","90","","96.553","0.007","90","","2454.6","0.4","295.6","0.2","295.6","0.2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C30 H32 O4 -","- C30 H32 O4 -","- C120 H128 O16 -","4","1","","Zhang, Yu-Fei; Tian, Wan-Fa; Cao, Xiao-Ping; Kuck, Dietmar; Chow, Hak-Fun","o-Quinones Derived from Tribenzotriquinacenes: Functionalization of Inner Bay Positions and Use for Single-Wing Extensions.","The Journal of organic chemistry","2016","81","6","2308","2319","10.1021/acs.joc.5b02806","","","0.7107","MoKα","","0.145","0.0769","","","0.1774","0.2243","","","","","","1.029","","","","has coordinates","234896","2020-10-21","18:00:00",""
"4036577","10.2489","0.0005","17.7216","0.001","13.0766","0.0006","90","","90.552","0.005","90","","2375","0.2","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C32 H24 F2 N2 -","- C32 H24 F2 N2 -","- C128 H96 F8 N8 -","4","1","","Zhang, Yu-Fei; Tian, Wan-Fa; Cao, Xiao-Ping; Kuck, Dietmar; Chow, Hak-Fun","o-Quinones Derived from Tribenzotriquinacenes: Functionalization of Inner Bay Positions and Use for Single-Wing Extensions.","The Journal of organic chemistry","2016","81","6","2308","2319","10.1021/acs.joc.5b02806","","","1.54184","CuKα","","0.0601","0.0498","","","0.1276","0.14","","","","","","1.045","","","","has coordinates","234897","2020-10-21","18:00:00",""
"4036578","17.9484","0.0005","8.6969","0.0002","16.5941","0.0005","90","","109.72","0.003","90","","2438.35","0.12","298.5","1","298.5","1","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C30 H28 O3 -","- C30 H28 O3 -","- C120 H112 O12 -","4","1","","Zhang, Yu-Fei; Tian, Wan-Fa; Cao, Xiao-Ping; Kuck, Dietmar; Chow, Hak-Fun","o-Quinones Derived from Tribenzotriquinacenes: Functionalization of Inner Bay Positions and Use for Single-Wing Extensions.","The Journal of organic chemistry","2016","81","6","2308","2319","10.1021/acs.joc.5b02806","","","1.5418","CuKα","","0.0687","0.0618","","","0.1839","0.193","","","","","","1.074","","","","has coordinates","234899","2020-10-21","18:00:00",""
"4036579","9.6832","0.0006","15.9129","0.0008","15.0454","0.0009","90","","91.068","0.005","90","","2317.9","0.2","295","1","295","1","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C29 H28 O3 -","- C29 H28 O3 -","- C116 H112 O12 -","4","1","","Zhang, Yu-Fei; Tian, Wan-Fa; Cao, Xiao-Ping; Kuck, Dietmar; Chow, Hak-Fun","o-Quinones Derived from Tribenzotriquinacenes: Functionalization of Inner Bay Positions and Use for Single-Wing Extensions.","The Journal of organic chemistry","2016","81","6","2308","2319","10.1021/acs.joc.5b02806","","","0.7107","MoKα","","0.0865","0.0598","","","0.1563","0.1739","","","","","","1.06","","","","has coordinates,has disorder","234900","2020-10-21","18:00:00",""
"4036580","10.8938","0.0019","33.139","0.005","11.704","0.002","90","","103.521","0.017","90","","4108.2","1.2","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C55 H42 O3 -","- C55 H42 O3 -","- C220 H168 O12 -","4","1","","Zhang, Yu-Fei; Tian, Wan-Fa; Cao, Xiao-Ping; Kuck, Dietmar; Chow, Hak-Fun","o-Quinones Derived from Tribenzotriquinacenes: Functionalization of Inner Bay Positions and Use for Single-Wing Extensions.","The Journal of organic chemistry","2016","81","6","2308","2319","10.1021/acs.joc.5b02806","","","0.7107","MoKα","","0.149","0.0792","","","0.1812","0.2195","","","","","","1.055","","","","has coordinates","234902","2020-10-21","18:00:00",""
"4036581","9.9179","0.0004","24.4164","0.0006","9.9702","0.0004","90","","118.045","0.005","90","","2130.88","0.17","288.42","0.1","288.42","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C24 H19 N3 O4 -","- C24 H19 N3 O4 -","- C96 H76 N12 O16 -","4","1","","Li, Kaizhi; You, Jingsong","Cascade Oxidative Coupling/Cyclization: A Gateway to 3-Amino Polysubstituted Five-Membered Heterocycles.","The Journal of organic chemistry","2016","81","6","2327","2339","10.1021/acs.joc.5b02838","","x-ray","0.71073","MoKα","","0.0696","0.0482","","","0.1029","0.1138","","","","","","1.024","","","","has coordinates","234904","2020-10-21","18:00:00",""
"4036582","10.5769","0.0004","10.9393","0.0004","11.0491","0.0004","73.609","0.003","78.749","0.003","65.477","0.004","1111.37","0.08","293","","293","","","","","","","","","4","P -1","-P 1","2","","","","- C26 H23 N3 O3 -","- C26 H23 N3 O3 -","- C52 H46 N6 O6 -","2","1","","Li, Kaizhi; You, Jingsong","Cascade Oxidative Coupling/Cyclization: A Gateway to 3-Amino Polysubstituted Five-Membered Heterocycles.","The Journal of organic chemistry","2016","81","6","2327","2339","10.1021/acs.joc.5b02838","","x-ray","1.54184","CuKα","","0.0586","0.0562","","","0.1439","0.1471","","","","","","1.048","","","","has coordinates","234905","2020-10-21","18:00:00",""
"4036583","8.2709","0.0003","11.1075","0.0004","18.799","0.0007","90","","94.903","0.003","90","","1720.73","0.11","293.5","0.18","293.5","0.18","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H16 N2 O5 -","- C19 H16 N2 O5 -","- C76 H64 N8 O20 -","4","1","","Li, Kaizhi; You, Jingsong","Cascade Oxidative Coupling/Cyclization: A Gateway to 3-Amino Polysubstituted Five-Membered Heterocycles.","The Journal of organic chemistry","2016","81","6","2327","2339","10.1021/acs.joc.5b02838","","x-ray","1.54184","CuKα","","0.0536","0.051","","","0.136","0.1396","","","","","","1.067","","","","has coordinates","234907","2020-10-21","18:00:00",""
"4036584","10.9656","0.0014","17.723","0.003","23.255","0.003","90","","90","","90","","4519.5","1.1","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C23 H24 N2 O5 S -","- C23 H24 N2 O5 S -","- C184 H192 N16 O40 S8 -","8","1","","Sankar, Ulaganathan; Surya Kumar, Ch Venkata; Subramanian, V.; Balasubramanian, K. K.; Mahalakshimi, S.","Stereo-, Regio-, and Chemoselective [3 + 2]-Cycloaddition of (2E,4E)-Ethyl 5-(Phenylsulfonyl)penta-2,4-dienoate with Various Azomethine Ylides, Nitrones, and Nitrile Oxides: Synthesis of Pyrrolidine, Isoxazolidine, and Isoxazoline Derivatives and a Computational Study.","The Journal of organic chemistry","2016","81","6","2340","2354","10.1021/acs.joc.5b02845","","","0.71073","MoKα","","0.0875","0.0445","","","0.1063","0.1301","","","","","","1.002","","","","has coordinates","234908","2020-10-21","18:00:00",""
"4036585","7.0029","0.0011","17.986","0.003","17.875","0.003","90","","93.089","0.011","90","","2248.2","0.6","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H23 N O6 S -","- C24 H23 N O6 S -","- C96 H92 N4 O24 S4 -","4","1","","Sankar, Ulaganathan; Surya Kumar, Ch Venkata; Subramanian, V.; Balasubramanian, K. K.; Mahalakshimi, S.","Stereo-, Regio-, and Chemoselective [3 + 2]-Cycloaddition of (2E,4E)-Ethyl 5-(Phenylsulfonyl)penta-2,4-dienoate with Various Azomethine Ylides, Nitrones, and Nitrile Oxides: Synthesis of Pyrrolidine, Isoxazolidine, and Isoxazoline Derivatives and a Computational Study.","The Journal of organic chemistry","2016","81","6","2340","2354","10.1021/acs.joc.5b02845","","","0.71073","MoKα","","0.1148","0.0531","","","0.1404","0.1701","","","","","","1.007","","","","has coordinates","234911","2020-10-21","18:00:00",""
"4036586","8.6828","0.0005","6.4475","0.0003","11.5604","0.0007","90","","96.958","0.005","90","","642.41","0.06","293","2","293.15","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C13 H9 F3 N2 O2 -","- C13 H9 F3 N2 O2 -","- C26 H18 F6 N4 O4 -","2","1","","Lou, Hengqiao; Wang, Yongtao; Jin, Enze; Lin, Xufeng","Organocatalytic Asymmetric Synthesis of Dihydrobenzoxazinones Bearing Trifluoromethylated Quaternary Stereocenters.","The Journal of organic chemistry","2016","81","5","2019","2026","10.1021/acs.joc.5b02848","","","1.54184","CuKα","","0.0559","0.049","","","0.1217","0.1336","","","","","","1.092","","","","has coordinates","234912","2020-10-21","18:00:00",""
"4036587","6.4322","0.0004","9.2132","0.0005","11.2253","0.0006","90","","96.4282","0.0018","90","","661.04","0.07","150","","150","","","","","","","","Synthesized by the authors. See text","4","P 1 21 1","P 2yb","4","","","","- C13 H21 N O3 -","- C13 H21 N O3 -","- C26 H42 N2 O6 -","2","1","","Chattopadhyay, Amit Kumar; Menz, Helge; Ly, Vu Linh; Dorich, Stéphane; Hanessian, Stephen","Synthesis of a Model Tetracyclic Core Structure of Calyciphylline B-Type Alkaloids.","The Journal of organic chemistry","2016","81","5","2182","2188","10.1021/acs.joc.5b02875","","","1.54178","CuKα","","0.0318","0.0317","","","0.0855","0.0856","","","","","","1.073","","","","has coordinates","234914","2020-10-21","18:00:00",""
"4036588","6.5732","0.0001","10.1967","0.0002","27.5648","0.0005","90","","90","","90","","1847.53","0.06","200","","200","","","","","","","","Synthesized by the authors. See text","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H29 N O4 -","- C18 H29 N O4 -","- C72 H116 N4 O16 -","4","1","","Chattopadhyay, Amit Kumar; Menz, Helge; Ly, Vu Linh; Dorich, Stéphane; Hanessian, Stephen","Synthesis of a Model Tetracyclic Core Structure of Calyciphylline B-Type Alkaloids.","The Journal of organic chemistry","2016","81","5","2182","2188","10.1021/acs.joc.5b02875","","","1.54178","CuKα","","0.0348","0.0324","","","0.0888","0.0905","","","","","","1.067","","","","has coordinates","234915","2020-10-21","18:00:00",""
"4036589","17.318","0.005","17.318","0.005","34.804","0.011","90","","90","","120","","9040","5","173","","173","","","","","","","","","5","R -3 :H","-R 3","148","","","","- C111 H171 B12 Cl9 N12 -","- C111 H170 B12 Cl9 N12 -","- C333.001 H510 B36 Cl27 N36 -","3","0.166667","","Wakabayashi, Shigeharu; Hori, Yuka; Komeda, Seiji; Shimizu, Yuki; Ohki, Yasuhiro; Horiuchi, Misaki; Itoh, Takahito; Sugihara, Yoshikazu; Tatsumi, Kazuyuki","Self-Assembly of 4-(Diethylboryl)pyridine: Crystal Structures of the Cyclic Pentamer and Hexamer and Their Solvent-Dependent Selective Crystallization.","The Journal of organic chemistry","2016","81","6","2399","2404","10.1021/acs.joc.5b02886","","","0.71075","MoKα","","0.1443","0.076","","","0.2098","0.2423","","","","","","0.923","","","","has coordinates","234917","2020-10-21","18:00:00",""
"4036590","17.377","0.0006","17.377","0.0006","17.411","0.0006","90","","90","","120","","4553.1","0.3","293","2","293","2","","","","","","","","5","P -3","-P 3","147","","","","- C174 H252 B18 N18 O3 -","- C174 H252 B18 N18 O3 -","- C174 H252 B18 N18 O3 -","1","0.166667","","Wakabayashi, Shigeharu; Hori, Yuka; Komeda, Seiji; Shimizu, Yuki; Ohki, Yasuhiro; Horiuchi, Misaki; Itoh, Takahito; Sugihara, Yoshikazu; Tatsumi, Kazuyuki","Self-Assembly of 4-(Diethylboryl)pyridine: Crystal Structures of the Cyclic Pentamer and Hexamer and Their Solvent-Dependent Selective Crystallization.","The Journal of organic chemistry","2016","81","6","2399","2404","10.1021/acs.joc.5b02886","","","0.71075","MoKα","","0.0636","0.0567","","","0.1772","0.1848","","","","","","1.069","","","","has coordinates","234918","2020-10-21","18:00:00",""
"4036591","10.85","0.002","11.342","0.002","24.34","0.004","93.698","0.003","95.893","0.003","111.738","0.004","2750.5","0.8","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C57 H82 B5 N5 -","- C57 H82 B5 N5 -","- C114 H164 B10 N10 -","2","1","","Wakabayashi, Shigeharu; Hori, Yuka; Komeda, Seiji; Shimizu, Yuki; Ohki, Yasuhiro; Horiuchi, Misaki; Itoh, Takahito; Sugihara, Yoshikazu; Tatsumi, Kazuyuki","Self-Assembly of 4-(Diethylboryl)pyridine: Crystal Structures of the Cyclic Pentamer and Hexamer and Their Solvent-Dependent Selective Crystallization.","The Journal of organic chemistry","2016","81","6","2399","2404","10.1021/acs.joc.5b02886","","","0.71075","MoKα","","0.0773","0.0575","","","0.1647","0.1797","","","","","","1.057","","","","has coordinates","234920","2020-10-21","18:00:00",""
"4036592","9.356","0.002","11.498","0.003","14.192","0.003","99.422","0.003","93.603","0.004","108.495","0.005","1417.5","0.6","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C58 H84 B6 N6 O -","- C58 H84 B6 N6 O -","- C58 H84 B6 N6 O -","1","0.5","","Wakabayashi, Shigeharu; Hori, Yuka; Komeda, Seiji; Shimizu, Yuki; Ohki, Yasuhiro; Horiuchi, Misaki; Itoh, Takahito; Sugihara, Yoshikazu; Tatsumi, Kazuyuki","Self-Assembly of 4-(Diethylboryl)pyridine: Crystal Structures of the Cyclic Pentamer and Hexamer and Their Solvent-Dependent Selective Crystallization.","The Journal of organic chemistry","2016","81","6","2399","2404","10.1021/acs.joc.5b02886","","","0.71075","MoKα","","0.1106","0.085","","","0.2654","0.2857","","","","","","1.053","","","","has coordinates","234921","2020-10-21","18:00:00",""
"4036593","19.8195","0.0007","22.8286","0.0008","7.8633","0.0003","90","","90","","90","","3557.8","0.2","296","2","296","2","","","","","","","","4","P 21 21 2","P 2 2ab","18","","","","- C139 H188 N8 O43 -","- C139 H188 N8 O43 -","- C139 H188 N8 O43 -","1","0.25","","Smith, Aaron C.; Cabral, Shawn; Kung, Daniel W.; Rose, Colin R.; Southers, James A.; García-Irizarry, Carmen N; Damon, David B.; Bagley, Scott W.; Griffith, David A.","The Synthesis of Methyl-Substituted Spirocyclic Piperidine-Azetidine (2,7-Diazaspiro[3.5]nonane) and Spirocyclic Piperidine-Pyrrolidine (2,8-Diazaspiro[4.5]decane) Ring Systems.","The Journal of organic chemistry","2016","81","9","3509","3519","10.1021/acs.joc.5b02890","","","1.54178","CuKα","","0.053","0.0475","","","0.1245","0.1292","","","","","","1.04","","","","has coordinates,has disorder","234923","2020-10-21","18:00:00",""
"4036594","11.2708","0.0003","10.4765","0.0003","13.4089","0.0003","90","","99.4274","0.0014","90","","1561.92","0.07","173","","173","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C19 H21 N2 O2 -","- C19 H21 N O2 -","- C76 H84 N4 O8 -","4","1","","Tabata, Hidetsugu; Yoneda, Tetsuya; Tasaka, Tomohiko; Ito, Shigekazu; Oshitari, Tetsuta; Takahashi, Hideyo; Natsugari, Hideaki","Stereochemistry of N-Benzoyl-5-substituted-1-benzazepines Revisited: Synthesis of the Conformationally Biased Derivatives and Revision of the Reported Structure.","The Journal of organic chemistry","2016","81","8","3136","3148","10.1021/acs.joc.5b02900","","","1.54187","CuKα","","","0.0566","","","","0.1917","","","","","","1.895","","","","has coordinates","234925","2020-10-21","18:00:00",""
"4036595","9.43615","0.00017","9.54443","0.00017","17.4522","0.0004","84.4167","0.0008","89.6078","0.0009","78.8942","0.0009","1534.93","0.05","173","","173","","","","","","","","","5","P -1","-P 1","2","","","","- C18 H18 Cl N O -","- C18 H18 Cl N O -","- C72 H72 Cl4 N4 O4 -","4","2","","Tabata, Hidetsugu; Yoneda, Tetsuya; Tasaka, Tomohiko; Ito, Shigekazu; Oshitari, Tetsuta; Takahashi, Hideyo; Natsugari, Hideaki","Stereochemistry of N-Benzoyl-5-substituted-1-benzazepines Revisited: Synthesis of the Conformationally Biased Derivatives and Revision of the Reported Structure.","The Journal of organic chemistry","2016","81","8","3136","3148","10.1021/acs.joc.5b02900","","","1.54187","CuKα","","","0.0518","","","","0.0772","","","","","","1.146","","","","has coordinates","234927","2020-10-21","18:00:00",""
"4036596","9.25139","0.00017","9.3547","0.00017","10.33663","0.00019","78.3301","0.001","82.1889","0.001","75.906","0.001","846.17","0.03","173","","173","","","","","","","","","4","P -1","-P 1","2","","","","- C20 H24 N2 O -","- C20 H24 N2 O -","- C40 H48 N4 O2 -","2","1","","Tabata, Hidetsugu; Yoneda, Tetsuya; Tasaka, Tomohiko; Ito, Shigekazu; Oshitari, Tetsuta; Takahashi, Hideyo; Natsugari, Hideaki","Stereochemistry of N-Benzoyl-5-substituted-1-benzazepines Revisited: Synthesis of the Conformationally Biased Derivatives and Revision of the Reported Structure.","The Journal of organic chemistry","2016","81","8","3136","3148","10.1021/acs.joc.5b02900","","","1.54187","CuKα","","","0.0509","","","","0.1657","","","","","","1.683","","","","has coordinates","234929","2020-10-21","18:00:00",""
"4036597","7.7089","0.0003","11.7832","0.0004","17.474","0.0006","90","","100.653","0.0019","90","","1559.9","0.1","173","","173","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C19 H21 N O -","- C19 H21 N O -","- C76 H84 N4 O4 -","4","2","","Tabata, Hidetsugu; Yoneda, Tetsuya; Tasaka, Tomohiko; Ito, Shigekazu; Oshitari, Tetsuta; Takahashi, Hideyo; Natsugari, Hideaki","Stereochemistry of N-Benzoyl-5-substituted-1-benzazepines Revisited: Synthesis of the Conformationally Biased Derivatives and Revision of the Reported Structure.","The Journal of organic chemistry","2016","81","8","3136","3148","10.1021/acs.joc.5b02900","","","1.54187","CuKα","","","0.0325","","","","0.1006","","","","","","1.049","","","","has coordinates","234931","2020-10-21","18:00:00",""
"4036598","17.706","0.0004","14.323","0.0006","9.7","0.0008","90","","104.923","0.002","90","","2377","0.2","294","2","294","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C25 H26 Cl N O5 S -","- C25 H26 Cl N O5 S -","- C100 H104 Cl4 N4 O20 S4 -","4","1","","Kranthikumar, Ramagonolla; Chegondi, Rambabu; Chandrasekhar, Srivari","Insertion of N-Tosylacetimidates/Acetimidamides onto Arynes via [2 + 2] Cycloaddition.","The Journal of organic chemistry","2016","81","6","2451","2459","10.1021/acs.joc.5b02907","","","0.71073","MoKα","","0.07","0.0552","","","0.1368","0.1463","","","","","","1.071","","","","has coordinates","234933","2020-10-21","18:00:00",""
"4036599","10.172","0.0005","10.462","0.0005","12.878","0.0006","68.824","0.001","83.945","0.001","83.791","0.001","1267.17","0.11","294","2","294","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H26 N2 O2 S -","- C30 H26 N2 O2 S -","- C60 H52 N4 O4 S2 -","2","1","","Kranthikumar, Ramagonolla; Chegondi, Rambabu; Chandrasekhar, Srivari","Insertion of N-Tosylacetimidates/Acetimidamides onto Arynes via [2 + 2] Cycloaddition.","The Journal of organic chemistry","2016","81","6","2451","2459","10.1021/acs.joc.5b02907","","","0.71073","MoKα","","0.06","0.0506","","","0.1383","0.1461","","","","","","1.025","","","","has coordinates","234934","2020-10-21","18:00:00",""
"4036600","8.6313","0.0017","11.567","0.002","15.818","0.003","76.11","0.03","88.94","0.03","85.25","0.03","1527.8","0.5","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C19 H17 N O2 -","- C19 H17 N O2 -","- C76 H68 N4 O8 -","4","2","","Jiang, Huanfeng; Yang, Jidan; Tang, Xiaodong; Wu, Wanqing","Divergent Syntheses of Isoquinolines and Indolo[1,2-a]quinazolines by Copper-Catalyzed Cascade Annulation from 2-Haloaryloxime Acetates with Active Methylene Compounds and Indoles.","The Journal of organic chemistry","2016","81","5","2053","2061","10.1021/acs.joc.5b02914","","","0.71073","MoKα","","0.1627","0.0541","","","0.1347","0.2044","","","","","","0.924","","","","has coordinates","234937","2020-10-21","18:00:00",""
"4036601","10.593","0.0003","11.1116","0.0003","17.5737","0.0005","90","","95.862","0.003","90","","2057.7","0.1","571","2","571","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H21 F N O5 -","- C24 H21 F N O5 -","- C96 H84 F4 N4 O20 -","4","1","","Peng, Hui; Li, Jiuyi; Wang, Furong; Liu, Bo; Yin, Biaolin","Synthesis of Spiro-lactams and Polysubstituted Pyrroles via Ceric Ammonium Nitrate-Mediated Oxidative Cyclization of N-Furan-2-ylmethyl-β-Enaminones.","The Journal of organic chemistry","2016","81","12","4939","4946","10.1021/acs.joc.5b02919","","","0.71073","MoKα","","0.0728","0.0693","","","0.1822","0.1849","","","","","","1.085","","","","has coordinates","234939","2020-10-21","18:00:00",""
"4036602","9.4196","0.0002","20.2974","0.0005","10.6385","0.0003","90","","114.597","0.001","90","","1849.44","0.08","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H17 N O2 S -","- C24 H17 N O2 S -","- C96 H68 N4 O8 S4 -","4","1","","Bakthadoss, Manickam; Selvakumar, Raman","One-Pot Synthesis of Benzothiazole-Tethered Chromanones/Coumarins via Claisen Rearrangement Using the Solid State Melt Reaction.","The Journal of organic chemistry","2016","81","8","3391","3399","10.1021/acs.joc.5b02920","","","0.71073","MoKα","","0.0509","0.0409","","","0.1131","0.1224","","","","","","0.988","","","","has coordinates","234941","2020-10-21","18:00:00",""
"4036603","9.5557","0.0002","10.296","0.0002","11.4909","0.0002","96.003","0.001","104.156","0.001","91.371","0.001","1088.76","0.04","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C25 H19 Cl N O2 S -","- C25 H19 Cl N2 O2 S -","- C50 H38 Cl2 N4 O4 S2 -","2","1","","Bakthadoss, Manickam; Selvakumar, Raman","One-Pot Synthesis of Benzothiazole-Tethered Chromanones/Coumarins via Claisen Rearrangement Using the Solid State Melt Reaction.","The Journal of organic chemistry","2016","81","8","3391","3399","10.1021/acs.joc.5b02920","","","0.71073","MoKα","","0.0455","0.0397","","","0.1147","0.1221","","","","","","1.026","","","","has coordinates","234943","2020-10-21","18:00:00",""
"4036604","8.7107","0.0002","10.3413","0.0003","11.8345","0.0003","95.821","0.002","97.715","0.002","93.79","0.002","1047.51","0.05","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H21 N O2 S -","- C26 H21 N O2 S -","- C52 H42 N2 O4 S2 -","2","1","","Bakthadoss, Manickam; Selvakumar, Raman","One-Pot Synthesis of Benzothiazole-Tethered Chromanones/Coumarins via Claisen Rearrangement Using the Solid State Melt Reaction.","The Journal of organic chemistry","2016","81","8","3391","3399","10.1021/acs.joc.5b02920","","","0.71073","MoKα","","0.0871","0.072","","","0.1978","0.2141","","","","","","1.037","","","","has coordinates","234944","2020-10-21","18:00:00",""
"4036605","8.1158","0.0003","8.6369","0.0003","9.1898","0.0004","95.53","0.003","104.286","0.003","108.675","0.003","580.48","0.04","296","2","296","2","","","","","","","","4","P 1","P 1","1","","","","- C27 H20 Br2 O3 -","- C27 H20 Br2 O3 -","- C27 H20 Br2 O3 -","1","1","","Madhusudhan Reddy, G.; Ko, Chi-Ting; Hsieh, Kai-Hong; Lee, Chia-Jui; Das, Utpal; Lin, Wenwei","Expanding the Scope of Primary Amine Catalysis: Stereoselective Synthesis of Indanedione-Fused 2,6-Disubstituted trans-Spirocyclohexanones.","The Journal of organic chemistry","2016","81","6","2420","2431","10.1021/acs.joc.5b02921","","","0.71073","MoKα","","0.0435","0.0302","","","0.0561","0.0597","","","","","","0.861","","","","has coordinates","234946","2020-10-21","18:00:00",""
"4036606","8.444","","11.055","","13.733","","98.62","","107.12","","93","","1204.98","","200","2","200","2","","","","","","","","4","P 1","P 1","1","","","","- C29 H25 Br O4 -","- C29 H25 Br O4 -","- C58 H50 Br2 O8 -","2","2","","Madhusudhan Reddy, G.; Ko, Chi-Ting; Hsieh, Kai-Hong; Lee, Chia-Jui; Das, Utpal; Lin, Wenwei","Expanding the Scope of Primary Amine Catalysis: Stereoselective Synthesis of Indanedione-Fused 2,6-Disubstituted trans-Spirocyclohexanones.","The Journal of organic chemistry","2016","81","6","2420","2431","10.1021/acs.joc.5b02921","","","0.71073","MoKα","","0.0487","0.0392","","","0.0904","0.1143","","","","","","1.076","","","","has coordinates","234947","2020-10-21","18:00:00",""
"4036607","9.121","0.003","10.294","0.003","45.103","0.012","90","","90","","90","","4235","2","200","2","200","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C26 H19 Br O3 -","- C26 H19 Br O3 -","- C208 H152 Br8 O24 -","8","2","","Madhusudhan Reddy, G.; Ko, Chi-Ting; Hsieh, Kai-Hong; Lee, Chia-Jui; Das, Utpal; Lin, Wenwei","Expanding the Scope of Primary Amine Catalysis: Stereoselective Synthesis of Indanedione-Fused 2,6-Disubstituted trans-Spirocyclohexanones.","The Journal of organic chemistry","2016","81","6","2420","2431","10.1021/acs.joc.5b02921","","","0.71073","MoKα","","0.0999","0.0515","","","0.1018","0.1159","","","","","","1.055","","","","has coordinates,has disorder","234949","2020-10-21","18:00:00",""
"4036608","10.1259","0.0002","21.6147","0.0004","11.8647","0.0003","90","","112.394","0.002","90","","2400.97","0.1","200","2","200","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C28 H23 Br O4 -","- C28 H23 Br O4 -","- C112 H92 Br4 O16 -","4","2","","Madhusudhan Reddy, G.; Ko, Chi-Ting; Hsieh, Kai-Hong; Lee, Chia-Jui; Das, Utpal; Lin, Wenwei","Expanding the Scope of Primary Amine Catalysis: Stereoselective Synthesis of Indanedione-Fused 2,6-Disubstituted trans-Spirocyclohexanones.","The Journal of organic chemistry","2016","81","6","2420","2431","10.1021/acs.joc.5b02921","","","0.71073","MoKα","","0.0832","0.042","","","0.078","0.092","","","","","","0.959","","","","has coordinates","234951","2020-10-21","18:00:00",""
"4036609","16.7257","0.0017","8.6177","0.0009","12.0468","0.0012","90","","104.961","0.001","90","","1677.5","0.3","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C21 H15 Br O2 -","- C21 H15 Br O2 -","- C84 H60 Br4 O8 -","4","1","","He, Xinwei; Tao, Jiajia; Hu, Xiaoqian; Wang, Hui; Shang, Yongjia","FeCl3-Mediated One-Pot Domino Reactions for the Synthesis of 9-Aryl/9-Arylethynyl-2,3,4,9-tetrahydro-1H-xanthen-1-ones from Propargylic Amines/Diaryl Amines and 1,3-Cyclohexanediones.","The Journal of organic chemistry","2016","81","5","2062","2069","10.1021/acs.joc.6b00001","","","0.71073","MoKα","","0.0567","0.0363","","","0.0972","0.111","","","","","","0.95","","","","has coordinates,has disorder","234953","2020-10-21","18:00:00",""
"4036610","5.6299","0.0007","18.125","0.002","15.3048","0.0018","90","","94.98","0.001","90","","1555.8","0.3","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C20 H18 O3 -","- C20 H18 O3 -","- C80 H72 O12 -","4","1","","He, Xinwei; Tao, Jiajia; Hu, Xiaoqian; Wang, Hui; Shang, Yongjia","FeCl3-Mediated One-Pot Domino Reactions for the Synthesis of 9-Aryl/9-Arylethynyl-2,3,4,9-tetrahydro-1H-xanthen-1-ones from Propargylic Amines/Diaryl Amines and 1,3-Cyclohexanediones.","The Journal of organic chemistry","2016","81","5","2062","2069","10.1021/acs.joc.6b00001","","","0.71073","MoKα","","0.0455","0.0382","","","0.1064","0.1131","","","","","","1.056","","","","has coordinates","234955","2020-10-21","18:00:00",""
"4036611","6.3333","0.0013","12.763","0.003","19.654","0.003","78.988","0.005","88.769","0.006","89.774","0.006","1559.1","0.5","132","2","132","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H22 I N O -","- C16 H22 I N O -","- C64 H88 I4 N4 O4 -","4","2","","Song, Liyan; Fang, Xinqiang; Wang, Zijia; Liu, Kun; Li, Chaozhong","Stereoselectivity of 6-Exo Cyclization of α-Carbamoyl Radicals.","The Journal of organic chemistry","2016","81","6","2442","2450","10.1021/acs.joc.6b00008","","","0.71073","MoKα","","0.0938","0.07","","","0.1847","0.2159","","","","","","1.05","","","","has coordinates","234957","2020-10-21","18:00:00",""
"4036612","11.605","0.007","20.355","0.013","12.058","0.008","90","","92.968","0.007","90","","2845","3","293","","293","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C37 H29 N O S -","- C37 H29 N O S -","- C148 H116 N4 O4 S4 -","4","1","","Fukuzumi, Keita; Unoh, Yuto; Nishii, Yuji; Satoh, Tetsuya; Hirano, Koji; Miura, Masahiro","Synthesis of Benzo[c]thiophenes by Rhodium(III)-Catalyzed Dehydrogenative Annulation.","The Journal of organic chemistry","2016","81","6","2474","2481","10.1021/acs.joc.6b00030","","","0.71075","MoKα","","","0.0909","","","","0.1726","","","","","","1.115","","","","has coordinates","234959","2020-10-21","18:00:00",""
"4036613","5.7679","0.0019","9.859","0.003","13.531","0.004","73.54","0.03","85.59","0.03","81.51","0.03","729.3","0.4","295.35","0.1","295.35","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C16 H19 F2 N O -","- C16 H19 F2 N O -","- C32 H38 F4 N2 O2 -","2","1","","Chen, Qiao; Wang, Chao; Zhou, Jiawei; Wang, Yanan; Xu, Zhaoqing; Wang, Rui","CuSO4-Mediated Decarboxylative Difluoroacetamidation of α,β-Unsaturated Carboxylic Acids.","The Journal of organic chemistry","2016","81","6","2639","2645","10.1021/acs.joc.6b00031","","x-ray","0.71073","MoKα","","0.1435","0.066","","","0.14","0.1998","","","","","","1.056","","","","has coordinates","234961","2020-10-21","18:00:00",""
"4036614","6.5903","0.0001","27.7886","0.0004","13.8017","0.0002","90","","101.747","0.0015","90","","2474.64","0.06","150","","150","","","","","","","","local","3","P 1 21 1","P 2yb","4","","","","- C28 H40 O4 -","- C28 H40 O4 -","- C112 H160 O16 -","4","2","","Chang, Ee Ling; Bolte, Benoit; Lan, Ping; Willis, Anthony C.; Banwell, Martin G.","Chemoenzymatic Total Syntheses of the Enantiomers of the Protoilludanes 8-Deoxydihydrotsugicoline and Radudiol.","The Journal of organic chemistry","2016","81","5","2078","2086","10.1021/acs.joc.6b00043","","","1.54184","CuKα","","0.0416","0.038","","0.0874","0.0852","0.0874","","","","","","1.0054","","","","has coordinates","234963","2020-10-21","18:00:00",""
"4036615","33.1997","0.0004","9.6115","0.0001","13.8952","0.0002","90","","99.7857","0.0012","90","","4369.43","0.1","150","","150","","","","","","","","local","3","C 1 2 1","C 2y","5","","","","- C15 H26 O2 -","- C15 H26 O2 -","- C180 H312 O24 -","12","3","","Chang, Ee Ling; Bolte, Benoit; Lan, Ping; Willis, Anthony C.; Banwell, Martin G.","Chemoenzymatic Total Syntheses of the Enantiomers of the Protoilludanes 8-Deoxydihydrotsugicoline and Radudiol.","The Journal of organic chemistry","2016","81","5","2078","2086","10.1021/acs.joc.6b00043","","","1.54184","CuKα","","0.0376","0.035","","0.0873","0.0853","0.0873","","","","","","0.9972","","","","has coordinates","234965","2020-10-21","18:00:00",""
"4036616","5.8991","0.0001","12.6249","0.0001","16.8455","0.0002","90","","90","","90","","1254.58","0.03","150","","150","","","","","","","","local","3","P 21 21 21","P 2ac 2ab","19","","","","- C14 H20 O2 -","- C14 H20 O2 -","- C56 H80 O8 -","4","1","","Chang, Ee Ling; Bolte, Benoit; Lan, Ping; Willis, Anthony C.; Banwell, Martin G.","Chemoenzymatic Total Syntheses of the Enantiomers of the Protoilludanes 8-Deoxydihydrotsugicoline and Radudiol.","The Journal of organic chemistry","2016","81","5","2078","2086","10.1021/acs.joc.6b00043","","","1.54184","CuKα","","0.0296","0.0288","","0.0749","0.0739","0.0749","","","","","","1.0027","","","","has coordinates","234967","2020-10-21","18:00:00",""
"4036617","7.0022","0.0001","12.5744","0.0001","14.0683","0.0002","90","","90","","90","","1238.69","0.03","150","","150","","","","","","","","local","3","P 21 21 21","P 2ac 2ab","19","","","","- C14 H20 O2 -","- C14 H20 O2 -","- C56 H80 O8 -","4","1","","Chang, Ee Ling; Bolte, Benoit; Lan, Ping; Willis, Anthony C.; Banwell, Martin G.","Chemoenzymatic Total Syntheses of the Enantiomers of the Protoilludanes 8-Deoxydihydrotsugicoline and Radudiol.","The Journal of organic chemistry","2016","81","5","2078","2086","10.1021/acs.joc.6b00043","","","1.54184","CuKα","","0.0257","0.0252","","0.0664","0.066","0.0664","","","","","","1.0003","","","","has coordinates","234968","2020-10-21","18:00:00",""
"4036618","21.353","0.003","21.353","0.003","5.8048","0.001","90","","90","","120","","2292.1","0.6","150","","150","","","","","","","","local","3","P 65","P 65","170","","","","- C15 H26 O2 -","- C15 H26 O2 -","- C90 H156 O12 -","6","1","","Chang, Ee Ling; Bolte, Benoit; Lan, Ping; Willis, Anthony C.; Banwell, Martin G.","Chemoenzymatic Total Syntheses of the Enantiomers of the Protoilludanes 8-Deoxydihydrotsugicoline and Radudiol.","The Journal of organic chemistry","2016","81","5","2078","2086","10.1021/acs.joc.6b00043","","","1.54184","CuKα","","0.1028","0.0812","","0.1901","0.1771","0.1901","","","","","","1.0243","","","","has coordinates","234970","2020-10-21","18:00:00",""
"4036619","8.3922","0.0001","8.6217","0.0001","17.1215","0.0001","90","","90","","90","","1238.83","0.02","150","","150","","","","","","","","local","3","P 21 21 21","P 2ac 2ab","19","","","","- C14 H20 O2 -","- C14 H20 O2 -","- C56 H80 O8 -","4","1","","Chang, Ee Ling; Bolte, Benoit; Lan, Ping; Willis, Anthony C.; Banwell, Martin G.","Chemoenzymatic Total Syntheses of the Enantiomers of the Protoilludanes 8-Deoxydihydrotsugicoline and Radudiol.","The Journal of organic chemistry","2016","81","5","2078","2086","10.1021/acs.joc.6b00043","","","1.54184","CuKα","","0.0263","0.0261","","0.0683","0.0681","0.0683","","","","","","1.0094","","","","has coordinates","234972","2020-10-21","18:00:00",""
"4036620","6.2794","0.0001","13.2695","0.0001","23.5284","0.0002","90","","90","","90","","1960.49","0.04","150","","150","","","","","","","","local","4","P 21 21 21","P 2ac 2ab","19","","","","- C19 H28 O3 S2 -","- C19 H28 O3 S2 -","- C76 H112 O12 S8 -","4","1","","Chang, Ee Ling; Bolte, Benoit; Lan, Ping; Willis, Anthony C.; Banwell, Martin G.","Chemoenzymatic Total Syntheses of the Enantiomers of the Protoilludanes 8-Deoxydihydrotsugicoline and Radudiol.","The Journal of organic chemistry","2016","81","5","2078","2086","10.1021/acs.joc.6b00043","","","1.54184","CuKα","","0.0226","0.022","","0.0582","0.0579","0.0582","","","","","","1.0079","","","","has coordinates","234974","2020-10-21","18:00:00",""
"4036621","8.5891","0.0002","16.7819","0.0002","9.8613","0.0001","90","","95.8337","0.0013","90","","1414.06","0.04","150","","150","","","","","","","","local","3","P 1 21 1","P 2yb","4","","","","- C15 H24 O3 -","- C15 H24 O3 -","- C60 H96 O12 -","4","2","","Chang, Ee Ling; Bolte, Benoit; Lan, Ping; Willis, Anthony C.; Banwell, Martin G.","Chemoenzymatic Total Syntheses of the Enantiomers of the Protoilludanes 8-Deoxydihydrotsugicoline and Radudiol.","The Journal of organic chemistry","2016","81","5","2078","2086","10.1021/acs.joc.6b00043","","","1.54184","CuKα","","0.0353","0.0325","","0.0769","0.0756","0.0769","","","","","","0.9927","","","","has coordinates","234976","2020-10-21","18:00:00",""
"4036622","12.8626","0.0011","17.9115","0.0016","20.6589","0.0019","90","","90","","90","","4759.6","0.7","298","2","298","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C22 H33 N4 O P -","- C22 H33 N4 O P -","- C176 H264 N32 O8 P8 -","8","2","","Yang, Bing; Shen, Minxing; Ji, Xiaozhou; Xu, Ziyan; Sun, Hao; Jiang, Bo; Li, Guigen","Chiral N-Phosphonyl Imines for an Aza-Morita-Baylis-Hillman Reaction via Group-Assisted Purification (GAP) Chemistry.","The Journal of organic chemistry","2016","81","6","2488","2493","10.1021/acs.joc.6b00049","","","0.71073","MoKα","","0.1377","0.0499","","","0.069","0.0767","","","","","","1.035","","","","has coordinates","234978","2020-10-21","18:00:00",""
"4036623","10.695","0.01","6.585","0.006","14.025","0.014","90","","111.141","0.01","90","","921.3","1.5","296","2","296","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C19 H24 F N O4 S -","- C19 H24 F N O4 S -","- C38 H48 F2 N2 O8 S2 -","2","1","","Zhang, Lumin; Zhu, Lili; Yang, Jun; Luo, Jisheng; Hong, Ran","Stereoselective α-Hydroxylation of Amides Using Oppolzer's Sultam as Chiral Auxiliary.","The Journal of organic chemistry","2016","81","9","3890","3900","10.1021/acs.joc.6b00068","","","0.71073","MoKα","","0.0289","0.0278","","","0.0703","0.0715","","","","","","1.068","","","","has coordinates","234979","2020-10-21","18:00:00",""
"4036624","11.5968","0.0012","8.2171","0.0009","21.456","0.002","90","","104.481","0.002","90","","1979.6","0.4","296","2","296.15","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C20 H27 N O5 S -","- C20 H27 N O5 S -","- C80 H108 N4 O20 S4 -","4","2","","Zhang, Lumin; Zhu, Lili; Yang, Jun; Luo, Jisheng; Hong, Ran","Stereoselective α-Hydroxylation of Amides Using Oppolzer's Sultam as Chiral Auxiliary.","The Journal of organic chemistry","2016","81","9","3890","3900","10.1021/acs.joc.6b00068","","","0.71073","MoKα","","0.0433","0.0361","","","0.091","0.0961","","","","","","1.006","","","","has coordinates","234981","2020-10-21","18:00:00",""
"4036625","9.0667","0.0019","11.32","0.002","19.536","0.004","90","","100.124","0.003","90","","1973.9","0.7","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H14 F5 N O4 -","- C22 H14 F5 N O4 -","- C88 H56 F20 N4 O16 -","4","1","","Wang, Huai-Wei; Cui, Pei-Pei; Lu, Yi; Sun, Wei-Yin; Yu, Jin-Quan","Ligand-Promoted Rh(III)-Catalyzed Coupling of Aryl C-H Bonds with Arylboron Reagents.","The Journal of organic chemistry","2016","81","8","3416","3422","10.1021/acs.joc.6b00083","","","0.71073","MoKα","","0.0806","0.0448","","","0.1143","0.1352","","","","","","1.03","","","","has coordinates","234982","2020-10-21","18:00:00",""
"4036626","9.87","0.0004","10.0817","0.0003","10.2033","0.0005","90","","111.452","0.005","90","","944.96","0.07","290","2","290","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C20 H18 F3 N O3 S -","- C20 H18 F3 N O3 S -","- C40 H36 F6 N2 O6 S2 -","2","1","","Zhang, Sheng; Cha, Lide; Li, Lijun; Hu, Yanbin; Li, Yanan; Zha, Zhenggen; Wang, Zhiyong","Asymmetric Formal Aza-Diels-Alder Reaction of Trifluoromethyl Hemiaminals with Enones Catalyzed by Primary Amines.","The Journal of organic chemistry","2016","81","8","3177","3187","10.1021/acs.joc.6b00087","","","1.54184","CuKα","","0.0351","0.0338","","","0.0904","0.0927","","","","","","1.043","","","","has coordinates","234984","2020-10-21","18:00:00",""
"4036627","37.458","0.002","5.4399","0.0003","17.8501","0.0007","90","","106.94","0.004","90","","3479.5","0.3","100","2","100","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C42 H50 S4 -","- C42 H50 S4 -","- C168 H200 S16 -","4","0.5","","Chen, Yung-Lung; Hsu, Jhih-Yang; Lin, Fang-Yu; Lai, Yu-Ying; Chou, Hsiao-Chieh; Cheng, Yen-Ju","Synthesis and Isomeric Effects of Ladder-Type Alkylated Terbenzodithiophene Derivatives.","The Journal of organic chemistry","2016","81","6","2534","2542","10.1021/acs.joc.6b00101","","","1.54178","CuKα","","0.1029","0.0814","","","0.2153","0.236","","","","","","1.027","","","","has coordinates","234986","2020-10-21","18:00:00",""
"4036628","12.1896","0.0005","18.8338","0.0007","19.3","0.0007","75.146","0.002","77.385","0.002","80.428","0.002","4150.7","0.3","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C93 H135 S6 -","- C93 H135 S6 -","- C186 H270 S12 -","2","1","","Chen, Yung-Lung; Hsu, Jhih-Yang; Lin, Fang-Yu; Lai, Yu-Ying; Chou, Hsiao-Chieh; Cheng, Yen-Ju","Synthesis and Isomeric Effects of Ladder-Type Alkylated Terbenzodithiophene Derivatives.","The Journal of organic chemistry","2016","81","6","2534","2542","10.1021/acs.joc.6b00101","","","0.71073","MoKα","","0.0615","0.0387","","","0.1092","0.13","","","","","","1.029","","","","has coordinates","234988","2020-10-21","18:00:00",""
"4036629","5.3269","0.0006","18.171","0.002","21.724","0.002","99.222","0.003","93.005","0.003","95.081","0.003","2062.7","0.4","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C42 H50 S4 -","- C42 H50 S4 -","- C84 H100 S8 -","2","1","","Chen, Yung-Lung; Hsu, Jhih-Yang; Lin, Fang-Yu; Lai, Yu-Ying; Chou, Hsiao-Chieh; Cheng, Yen-Ju","Synthesis and Isomeric Effects of Ladder-Type Alkylated Terbenzodithiophene Derivatives.","The Journal of organic chemistry","2016","81","6","2534","2542","10.1021/acs.joc.6b00101","","","0.71073","MoKα","","0.0717","0.0495","","","0.1288","0.1364","","","","","","1.078","","","","has coordinates","234990","2020-10-21","18:00:00",""
"4036630","8.6924","0.0005","12.8173","0.0008","15.9368","0.0012","105.053","0.006","101.173","0.006","91.003","0.005","1677.8","0.2","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","(2E)-2-{2-[3-METHYLBUT-2-EN-1-YL)OXY]BENZYLIDENE}INDAN-1-ONE","","- C21 H20 O2 -","- C21 H20 O2 -","- C84 H80 O8 -","4","2","","Parmar, Bhagyashri D.; Sutariya, Tushar R.; Brahmbhatt, Gaurangkumar C.; Parmar, Narsidas J.; Kant, Rajni; Gupta, Vivek K.","A Base-Catalyzed, Domino Aldol/hetero-Diels-Alder Synthesis of Tricyclic Pyrano[3,4-c]chromenes in Glycerol.","The Journal of organic chemistry","2016","81","12","4955","4964","10.1021/acs.joc.6b00107","","","0.71073","MoKα","","0.1246","0.056","","","0.1169","0.1507","","","","","","0.948","","","","has coordinates","234992","2020-10-21","18:00:00",""
"4036631","11.7252","0.0002","12.2681","0.0002","12.3225","0.0003","90","","97.388","0.002","90","","1757.83","0.06","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","(4aR, 12cS)-4,4-dimethyl-2-phenyl-4,4a,5,12c- tetrahydrobenzo[f]pyrano[3,4-c]chromene","","- C24 H22 O2 -","- C24 H22 O2 -","- C96 H88 O8 -","4","1","","Parmar, Bhagyashri D.; Sutariya, Tushar R.; Brahmbhatt, Gaurangkumar C.; Parmar, Narsidas J.; Kant, Rajni; Gupta, Vivek K.","A Base-Catalyzed, Domino Aldol/hetero-Diels-Alder Synthesis of Tricyclic Pyrano[3,4-c]chromenes in Glycerol.","The Journal of organic chemistry","2016","81","12","4955","4964","10.1021/acs.joc.6b00107","","","0.71073","MoKα","","0.0545","0.0406","","","0.0902","0.1021","","","","","","1.044","","","","has coordinates","234994","2020-10-21","18:00:00",""
"4036632","11.5568","0.0002","16.7624","0.0002","12.9551","0.0002","90","","116.227","0.002","90","","2251.29","0.07","100","1","100","1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","5-(2-Chlorobut-3-enyl)-2,2-diphenyl-3-(methylcarbonyloxyethyl)-6-methyl- 1,3-oxazinen-4-one","","- C25 H26 Cl N O4 -","- C25 H26 Cl N O4 -","- C100 H104 Cl4 N4 O16 -","4","1","","Smith, Robert J.; Mills, Daniel A.; Nhu, Duong; Tan, Eng Wui; Lucas, Nigel T.; Hawkins, Bill C.","The Synthesis of Multifunctionalized 1,3-Oxazin-4-ones from Donor-Acceptor Cyclopropanes.","The Journal of organic chemistry","2016","81","5","2099","2105","10.1021/acs.joc.6b00112","","","1.54184","CuKα","","0.0489","0.0466","","","0.1031","0.1046","","","","","","1.043","","","","has coordinates,has disorder","234996","2020-10-21","18:00:00",""
"4036633","5.6221","0.0011","9.6836","0.0017","12.619","0.002","87.223","0.008","88.919","0.009","85.132","0.009","683.6","0.2","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C15 H11 N O S2 -","- C15 H11 N O S2 -","- C30 H22 N2 O2 S4 -","2","1","","Dar, Ajaz A.; Shadab, M.; Khan, Suman; Ali, Nahid; Khan, Abu T.","One-Pot Synthesis and Evaluation of Antileishmanial Activities of Functionalized S-Alkyl/Aryl Benzothiazole-2-carbothioate Scaffold.","The Journal of organic chemistry","2016","81","8","3149","3160","10.1021/acs.joc.6b00113","","","0.71073","MoKα","","0.1511","0.0796","","","0.1883","0.2469","","","","","","1.148","","","","has coordinates","234998","2020-10-21","18:00:00",""
"4036634","8.125","0.0007","8.2239","0.0009","10.6956","0.0008","90.93","0.008","96.487","0.007","93.239","0.008","708.78","0.11","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C15 H10 Cl N O S2 -","- C15 H10 Cl N O S2 -","- C30 H20 Cl2 N2 O2 S4 -","2","1","","Dar, Ajaz A.; Shadab, M.; Khan, Suman; Ali, Nahid; Khan, Abu T.","One-Pot Synthesis and Evaluation of Antileishmanial Activities of Functionalized S-Alkyl/Aryl Benzothiazole-2-carbothioate Scaffold.","The Journal of organic chemistry","2016","81","8","3149","3160","10.1021/acs.joc.6b00113","","","0.71073","MoKα","","0.0597","0.0407","","","0.0964","0.1152","","","","","","1.077","","","","has coordinates","235000","2020-10-21","18:00:00",""
"4036635","5.24926","0.00013","14.3321","0.0003","18.3411","0.0004","90","","90.107","0.006","90","","1379.85","0.05","296","","296","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C18 H8 S4 -","- C18 H8 S4 -","- C72 H32 S16 -","4","1","","Yamamoto, Atsushi; Matsui, Yasunori; Asada, Toshio; Kumeda, Motoki; Takagi, Kenichiro; Suenaga, Yu; Nagae, Kunihiko; Ohta, Eisuke; Sato, Hiroyasu; Koseki, Shiro; Naito, Hiroyoshi; Ikeda, Hiroshi","Amorphous Solid Simulation and Trial Fabrication of the Organic Field-Effect Transistor of Tetrathienonaphthalenes Prepared by Using Microflow Photochemical Reactions: A Theoretical Calculation-Inspired Investigation.","The Journal of organic chemistry","2016","81","8","3168","3176","10.1021/acs.joc.6b00117","","","1.54187","CuKα","","","0.0361","","","","0.114","","","","","","1.156","","","","has coordinates","235002","2020-10-21","18:00:00",""
"4036636","10.4968","0.0003","11.6056","0.0003","12.325","0.0003","76.616","0.001","70.06","0.001","65.542","0.001","1277.61","0.06","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C25 H27 N3 O5 S -","- C25 H27 N3 O5 S -","- C50 H54 N6 O10 S2 -","2","1","","Zeng, Xue-Mei; Xie, Jian-Wu","Enantioselective Synthesis of Ring-Fused Spiroannulated 1,2,3-Thiadiazole Derivatives.","The Journal of organic chemistry","2016","81","9","3553","3559","10.1021/acs.joc.6b00127","","","0.71073","MoKα","","0.0721","0.0488","","","0.1595","0.1842","","","","","","1.266","","","","has coordinates","235004","2020-10-21","18:00:00",""
"4036637","8.6809","0.0002","14.1972","0.0003","10.4181","0.0003","90","","100.521","0.001","90","","1262.39","0.05","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C25 H29 N3 O5 S -","- C25 H29 N3 O5 S -","- C50 H58 N6 O10 S2 -","2","1","","Zeng, Xue-Mei; Xie, Jian-Wu","Enantioselective Synthesis of Ring-Fused Spiroannulated 1,2,3-Thiadiazole Derivatives.","The Journal of organic chemistry","2016","81","9","3553","3559","10.1021/acs.joc.6b00127","","","0.71073","MoKα","","0.0397","0.0331","","","0.081","0.0861","","","","","","1.043","","","","has coordinates","258458","2020-10-21","18:00:00",""
"4036638","10.872","0.004","12.354","0.004","17.965","0.006","90","","90","","90","","2412.9","1.4","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C24 H23 N3 O6 S -","- C24 H23 N3 O6 S -","- C96 H92 N12 O24 S4 -","4","1","","Zeng, Xue-Mei; Xie, Jian-Wu","Enantioselective Synthesis of Ring-Fused Spiroannulated 1,2,3-Thiadiazole Derivatives.","The Journal of organic chemistry","2016","81","9","3553","3559","10.1021/acs.joc.6b00127","","","0.71073","MoKα","","0.1172","0.0584","","","0.1347","0.1662","","","","","","1.004","","","","has coordinates","256620","2020-10-21","18:00:00",""
"4036639","5.4955","0.0015","8.697","0.002","24.108","0.007","90","","91.925","0.004","90","","1151.6","0.5","296","2","296.15","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C15 H10 N2 O2 -","- C15 H10 N2 O2 -","- C60 H40 N8 O8 -","4","1","","Zhang, Ju; Zhang, Xinying; Fan, Xuesen","Synthesis of Indeno[1',2':4,5]imidazo[1,2-a]pyridin-11-ones and Chromeno[4',3':4,5]imidazo[1,2-a]pyridin-6-ones through Palladium-Catalyzed Cascade Reactions of 2-(2-Bromophenyl)imidazo[1,2-a]pyridines.","The Journal of organic chemistry","2016","81","8","3206","3213","10.1021/acs.joc.6b00166","","","0.71073","MoKα","","0.0776","0.0434","","","0.1197","0.1459","","","","","","1.082","","","","has coordinates","235010","2020-10-21","18:00:00",""
"4036640","11.4121","0.0003","16.6843","0.0005","4.8996","0.0002","90","","90","","90","","932.9","0.05","123","2","123","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C8 H7 O Te2 -","- C8 H7 O Te2 -","- C32 H28 O4 Te8 -","4","1","","Prasad, Poonam Rajesh; Selvakumar, Karuthapandi; Singh, Harkesh B.; Butcher, Ray J.","Synthesis, Structure, and Bonding of 1-Oxa-6,6aλ(4)- chalcogenopentalenes and Related Derivatives; The Role of Intramolecular Coordination.","The Journal of organic chemistry","2016","81","8","3214","3226","10.1021/acs.joc.6b00173","","","1.54178","CuKα","","0.1006","0.0917","","","0.2452","0.2531","","","","","","1.141","","","","has coordinates","235012","2020-10-21","18:00:00",""
"4036641","14.8825","0.0013","7.0999","0.0007","8.2818","0.0008","90","","95.735","0.01","90","","870.71","0.14","295","2","295","2","","","","","","","","4","C 1 2/m 1","-C 2y","12","","","","- C8 H8 O Se2 -","- C8 H8 O Se2 -","- C32 H32 O4 Se8 -","4","0.5","","Prasad, Poonam Rajesh; Selvakumar, Karuthapandi; Singh, Harkesh B.; Butcher, Ray J.","Synthesis, Structure, and Bonding of 1-Oxa-6,6aλ(4)- chalcogenopentalenes and Related Derivatives; The Role of Intramolecular Coordination.","The Journal of organic chemistry","2016","81","8","3214","3226","10.1021/acs.joc.6b00173","","","0.71073","MoKα","","0.1268","0.0479","","","0.093","0.111","","","","","","0.862","","","","has coordinates","235013","2020-10-21","18:00:00",""
"4036642","9.2886","0.0004","14.636","0.0005","9.5487","0.0004","90","","103.428","0.004","90","","1262.64","0.09","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H14 O2 Te -","- C14 H14 O2 Te -","- C56 H56 O8 Te4 -","4","1","","Prasad, Poonam Rajesh; Selvakumar, Karuthapandi; Singh, Harkesh B.; Butcher, Ray J.","Synthesis, Structure, and Bonding of 1-Oxa-6,6aλ(4)- chalcogenopentalenes and Related Derivatives; The Role of Intramolecular Coordination.","The Journal of organic chemistry","2016","81","8","3214","3226","10.1021/acs.joc.6b00173","","","1.54178","CuKα","","0.0697","0.0587","","","0.1449","0.1574","","","","","","1.094","","","","has coordinates","235015","2020-10-21","18:00:00",""
"4036643","5.0396","0.0003","6.4746","0.0005","23.7857","0.0014","90","","90","","90","","776.11","0.09","123","2","123","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C8 H8 O2 Te -","- C8 H8 O2 Te -","- C32 H32 O8 Te4 -","4","1","","Prasad, Poonam Rajesh; Selvakumar, Karuthapandi; Singh, Harkesh B.; Butcher, Ray J.","Synthesis, Structure, and Bonding of 1-Oxa-6,6aλ(4)- chalcogenopentalenes and Related Derivatives; The Role of Intramolecular Coordination.","The Journal of organic chemistry","2016","81","8","3214","3226","10.1021/acs.joc.6b00173","","","1.54184","CuKα","","0.0708","0.063","","","0.1647","0.175","","","","","","1.081","","","","has coordinates","235016","2020-10-21","18:00:00",""
"4036644","7.8765","0.0004","8.1219","0.0005","13.0249","0.0007","74.478","0.005","76.975","0.004","89.917","0.004","780.65","0.08","295","2","295","2","","","","","","","","4","P -1","-P 1","2","","","","- C8 H8 O2 Se -","- C8 H8 O2 Se -","- C32 H32 O8 Se4 -","4","2","","Prasad, Poonam Rajesh; Selvakumar, Karuthapandi; Singh, Harkesh B.; Butcher, Ray J.","Synthesis, Structure, and Bonding of 1-Oxa-6,6aλ(4)- chalcogenopentalenes and Related Derivatives; The Role of Intramolecular Coordination.","The Journal of organic chemistry","2016","81","8","3214","3226","10.1021/acs.joc.6b00173","","","0.71073","MoKα","","0.1105","0.0552","","","0.0874","0.104","","","","","","1.038","","","","has coordinates","235017","2020-10-21","18:00:00",""
"4036645","6.8851","0.0009","7.9251","0.0012","8.1801","0.0007","85.683","0.009","89.92","0.009","64.419","0.014","401.21","0.1","123","2","123","2","","","","","","","","4","P -1","-P 1","2","","","","- C8 H8 O S2 -","- C8 H8 O S2 -","- C16 H16 O2 S4 -","2","1","","Prasad, Poonam Rajesh; Selvakumar, Karuthapandi; Singh, Harkesh B.; Butcher, Ray J.","Synthesis, Structure, and Bonding of 1-Oxa-6,6aλ(4)- chalcogenopentalenes and Related Derivatives; The Role of Intramolecular Coordination.","The Journal of organic chemistry","2016","81","8","3214","3226","10.1021/acs.joc.6b00173","","","0.71073","MoKα","","0.0547","0.0483","","","0.1311","0.1405","","","","","","1.05","","","","has coordinates","235019","2020-10-21","18:00:00",""
"4036646","12.593","0.011","12.991","0.007","10.908","0.008","90","","98.5","0.03","90","","1765","2","93","","93","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H28 O3 S -","- C18 H28 O3 S -","- C72 H112 O12 S4 -","4","1","","Wang, Yinli; Oriez, Raphaël; Kuwano, Satoru; Yamaoka, Yousuke; Takasu, Kiyosei; Yamada, Ken-ichi","Oxa- and Azacycle Formation via Migrative Cyclization of Sulfonylalkynol and Sulfonylalkynamide with N-Heterocyclic Carbene.","The Journal of organic chemistry","2016","81","6","2652","2664","10.1021/acs.joc.6b00182","","","1.54187","CuKα","","0.1282","0.0817","","","0.1971","0.3104","","","","","","0.968","","","","has coordinates","235021","2020-10-21","18:00:00",""
"4036647","23.169","0.004","7.2093","0.0016","21.235","0.004","90","","92.196","0.004","90","","3544.3","1.2","93","","93","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C18 H27 N O4 S -","- C18 H27 N O4 S -","- C144 H216 N8 O32 S8 -","8","1","","Wang, Yinli; Oriez, Raphaël; Kuwano, Satoru; Yamaoka, Yousuke; Takasu, Kiyosei; Yamada, Ken-ichi","Oxa- and Azacycle Formation via Migrative Cyclization of Sulfonylalkynol and Sulfonylalkynamide with N-Heterocyclic Carbene.","The Journal of organic chemistry","2016","81","6","2652","2664","10.1021/acs.joc.6b00182","","","1.54187","CuKα","","0.0417","0.0369","","","0.101","0.1122","","","","","","1.116","","","","has coordinates","235023","2020-10-21","18:00:00",""
"4036648","16.715","0.004","5.5827","0.0012","17.44","0.004","90","","97.706","0.003","90","","1612.7","0.6","153","2","153","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H16 I N3 -","- C17 H16 I N3 -","- C68 H64 I4 N12 -","4","1","","Zhu, Li-Li; Xu, Xiao-Qi; Shi, Jin-Wei; Chen, Bai-Ling; Chen, Zili","N(2)-Selective Iodofunctionalization of Olefins with NH-1,2,3-Triazoles to provide N(2)-Alkyl-Substituted 1,2,3-Triazoles.","The Journal of organic chemistry","2016","81","9","3568","3575","10.1021/acs.joc.6b00185","","","0.71073","MoKα","","0.0578","0.0495","","","0.1266","0.1341","","","","","","1.003","","","","has coordinates","235025","2020-10-21","18:00:00",""
"4036649","4.1693","0.0005","8.687","0.001","10.729","0.002","95.442","0.001","90.247","0.001","95.864","0.001","384.78","0.1","140","2","140","2","","","","","","","","3","P -1","-P 1","2","","","","- C8 H10 N2 -","- C8 H10 N2 -","- C16 H20 N4 -","2","1","","Kerisit, Nicolas; Rouxel, Cédric; Colombel-Rouen, Sophie; Toupet, Loïc; Guillemin, Jean-Claude; Trolez, Yann","Synthesis, Chemistry, and Photochemistry of Methylcyanobutadiyne in the Context of Space Science.","The Journal of organic chemistry","2016","81","9","3560","3567","10.1021/acs.joc.6b00205","","","0.71073","MoKα","","0.0787","0.0529","","","0.135","0.1622","","","","","","1.065","","","","has coordinates","235027","2020-10-21","18:00:00",""
"4036650","4.3708","0.0002","13.7544","0.0005","15.5815","0.0005","90","","90","","90","","936.72","0.06","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C10 H12 N2 O -","- C10 H12 N2 O -","- C40 H48 N8 O4 -","4","1","","Kerisit, Nicolas; Rouxel, Cédric; Colombel-Rouen, Sophie; Toupet, Loïc; Guillemin, Jean-Claude; Trolez, Yann","Synthesis, Chemistry, and Photochemistry of Methylcyanobutadiyne in the Context of Space Science.","The Journal of organic chemistry","2016","81","9","3560","3567","10.1021/acs.joc.6b00205","","","0.71073","MoKα","","0.0455","0.0396","","","0.0886","0.092","","","","","","1.047","","","","has coordinates","235029","2020-10-21","18:00:00",""
"4036651","15.7178","0.0002","24.0271","0.0004","24.33","0.0004","69.559","0.001","77.422","0.001","75.919","0.001","8261.4","0.2","100","0.2","100","0.2","","","","","","","","4","P -1","-P 1","2","","","","- C198 H192 N22 O11 -","- C198 H192 N22 O11 -","- C396 H384 N44 O22 -","2","1","","Servalli, Marco; Trapp, Nils; Wörle, Michael; Klärner, Frank-Gerrit","Anthraphane: An Anthracene-Based, Propeller-Shaped D(3h)-Symmetric Hydrocarbon Cyclophane and Its Layered Single Crystal Structures.","The Journal of organic chemistry","2016","81","6","2572","2580","10.1021/acs.joc.6b00209","","x-ray","1.54178","CuKα","","0.1206","0.1034","","","0.342","0.3662","","","","","","1.6","","","","has coordinates,has disorder","235031","2020-10-21","18:00:00",""
"4036652","15.231","0.004","15.402","0.004","18.805","0.006","92.352","0.011","110.492","0.011","118.971","0.009","3493.8","1.8","100","","100","","","","","","","","","3","P -1","-P 1","2","","","","- C84 H42 Cl6 -","- C84 H42 Cl6 -","- C168 H84 Cl12 -","2","1","","Servalli, Marco; Trapp, Nils; Wörle, Michael; Klärner, Frank-Gerrit","Anthraphane: An Anthracene-Based, Propeller-Shaped D(3h)-Symmetric Hydrocarbon Cyclophane and Its Layered Single Crystal Structures.","The Journal of organic chemistry","2016","81","6","2572","2580","10.1021/acs.joc.6b00209","","x-ray","1.54178","CuKα","K-L~3~","0.1039","0.0802","","","0.2218","0.2402","","","","","","1.026","","","","has coordinates","235033","2020-10-21","18:00:00",""
"4036653","13.25","0.005","14.375","0.005","14.817","0.005","91.436","0.007","101.907","0.007","115.796","0.006","2465.1","1.5","100","0.2","100","0.2","","","","","","","","4","P -1","-P 1","2","","","","- C72 H35 N O2 -","- C72 H35 N O2 -","- C144 H70 N2 O4 -","2","1","","Servalli, Marco; Trapp, Nils; Wörle, Michael; Klärner, Frank-Gerrit","Anthraphane: An Anthracene-Based, Propeller-Shaped D(3h)-Symmetric Hydrocarbon Cyclophane and Its Layered Single Crystal Structures.","The Journal of organic chemistry","2016","81","6","2572","2580","10.1021/acs.joc.6b00209","","x-ray","0.71073","MoKα","","0.1319","0.0653","","","0.163","0.1984","","","","","","1.018","","","","has coordinates,has disorder","235035","2020-10-21","18:00:00",""
"4036654","13.2486","0.0011","14.4507","0.0012","14.8798","0.0012","91.989","0.002","102.018","0.002","115.489","0.002","2490.1","0.4","100","0.2","100","0.2","","","","","","","","3","P -1","-P 1","2","","","","- C75 H37 N -","- C75 H37 N -","- C150 H74 N2 -","2","1","","Servalli, Marco; Trapp, Nils; Wörle, Michael; Klärner, Frank-Gerrit","Anthraphane: An Anthracene-Based, Propeller-Shaped D(3h)-Symmetric Hydrocarbon Cyclophane and Its Layered Single Crystal Structures.","The Journal of organic chemistry","2016","81","6","2572","2580","10.1021/acs.joc.6b00209","","x-ray","0.71073","MoKα","","0.1239","0.0876","","","0.262","0.2979","","","","","","1.041","","","","has coordinates,has disorder","235037","2020-10-21","18:00:00",""
"4036655","16.4148","0.0008","16.4148","0.0008","50.878","0.003","90","","90","","120","","11872.2","1.1","100","0.2","100","0.2","","","","","","","","4","R -3 c :H","-R 3 2""c","167","","","","- C96 H84 N6 O6 -","- C96 H84 N6 O6 -","- C576 H504 N36 O36 -","6","0.166667","","Servalli, Marco; Trapp, Nils; Wörle, Michael; Klärner, Frank-Gerrit","Anthraphane: An Anthracene-Based, Propeller-Shaped D(3h)-Symmetric Hydrocarbon Cyclophane and Its Layered Single Crystal Structures.","The Journal of organic chemistry","2016","81","6","2572","2580","10.1021/acs.joc.6b00209","","x-ray","1.54178","CuKα","","0.1076","0.0981","","","0.3669","0.3849","","","","","","2.165","","","","has coordinates","235039","2020-10-21","18:00:00",""
"4036656","13.25","0.006","14.51","0.006","14.908","0.006","91.851","0.017","101.701","0.017","115.336","0.016","2513.6","1.9","100","0.2","100","0.2","","","","","","","","3","P -1","-P 1","2","","","","- C73 H38 O -","- C73 H38 O -","- C146 H76 O2 -","2","1","","Servalli, Marco; Trapp, Nils; Wörle, Michael; Klärner, Frank-Gerrit","Anthraphane: An Anthracene-Based, Propeller-Shaped D(3h)-Symmetric Hydrocarbon Cyclophane and Its Layered Single Crystal Structures.","The Journal of organic chemistry","2016","81","6","2572","2580","10.1021/acs.joc.6b00209","","x-ray","0.71073","MoKα","","0.2222","0.1093","","","0.2911","0.3655","","","","","","1.041","","","","has coordinates,has disorder","235041","2020-10-21","18:00:00",""
"4036657","15.1984","0.0006","15.6148","0.0006","17.8003","0.0007","75.887","0.003","67.008","0.003","61.703","0.002","3415.1","0.2","100","0.2","100","0.2","","","","","","","","3","P -1","-P 1","2","","","","- C96 H58 O2 -","- C96 H58 O2 -","- C192 H116 O4 -","2","1","","Servalli, Marco; Trapp, Nils; Wörle, Michael; Klärner, Frank-Gerrit","Anthraphane: An Anthracene-Based, Propeller-Shaped D(3h)-Symmetric Hydrocarbon Cyclophane and Its Layered Single Crystal Structures.","The Journal of organic chemistry","2016","81","6","2572","2580","10.1021/acs.joc.6b00209","","x-ray","1.54178","CuKα","","0.0871","0.0619","","","0.1678","0.188","","","","","","1.023","","","","has coordinates","235043","2020-10-21","18:00:00",""
"4036658","13.642","0.002","14.778","0.003","15.643","0.003","108.404","0.004","110.867","0.003","98.818","0.004","2667.5","0.9","100","0.2","100","0.2","","","","","","","","6","P -1","-P 1","2","","","","- C59 H29 Cl4 F9 O9 S3 -","- C59 H29 Cl4 F9 O9 S3 -","- C118 H58 Cl8 F18 O18 S6 -","2","1","","Servalli, Marco; Trapp, Nils; Wörle, Michael; Klärner, Frank-Gerrit","Anthraphane: An Anthracene-Based, Propeller-Shaped D(3h)-Symmetric Hydrocarbon Cyclophane and Its Layered Single Crystal Structures.","The Journal of organic chemistry","2016","81","6","2572","2580","10.1021/acs.joc.6b00209","","x-ray","0.71073","MoKα","","0.0864","0.0568","","","0.139","0.1589","","","","","","1.019","","","","has coordinates,has disorder","235045","2020-10-21","18:00:00",""
"4036659","16.5811","0.0003","15.2702","0.0003","24.5373","0.0005","90","","100.308","0.001","90","","6112.5","0.2","100","0.2","100","0.2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C90 H50 O2 -","- C90 H50 O2 -","- C360 H200 O8 -","4","1","","Servalli, Marco; Trapp, Nils; Wörle, Michael; Klärner, Frank-Gerrit","Anthraphane: An Anthracene-Based, Propeller-Shaped D(3h)-Symmetric Hydrocarbon Cyclophane and Its Layered Single Crystal Structures.","The Journal of organic chemistry","2016","81","6","2572","2580","10.1021/acs.joc.6b00209","","x-ray","1.54178","CuKα","","0.0539","0.0381","","","0.0916","0.1016","","","","","","1.03","","","","has coordinates,has disorder","235047","2020-10-21","18:00:00",""
"4036660","7.462","0.002","7.805","0.002","8.031","0.002","68.53","0.03","63.42","0.03","88.31","0.03","384.2","0.2","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C6 H6 N O5 P -","- C6 H6 N O5 P -","- C12 H12 N2 O10 P2 -","2","1","","Dziuganowska, Zofia A.; Ślepokura, Katarzyna; Volle, Jean-Noël; Virieux, David; Pirat, Jean-Luc; Kafarski, Paweł","Structural Analogues of Selfotel.","The Journal of organic chemistry","2016","81","12","4947","4954","10.1021/acs.joc.6b00220","","","0.71073","MoKα","","0.0274","0.0264","","","0.0718","0.0727","","","","","","1.087","","","","has coordinates","235051","2020-10-21","18:00:00",""
"4036661","5.565","0.002","12.901","0.004","10.161","0.003","90","","98.32","0.03","90","","721.8","0.4","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C6 H6 N O5 P -","- C6 H6 N O5 P -","- C24 H24 N4 O20 P4 -","4","1","","Dziuganowska, Zofia A.; Ślepokura, Katarzyna; Volle, Jean-Noël; Virieux, David; Pirat, Jean-Luc; Kafarski, Paweł","Structural Analogues of Selfotel.","The Journal of organic chemistry","2016","81","12","4947","4954","10.1021/acs.joc.6b00220","","","0.71073","MoKα","","0.0425","0.032","","","0.0915","0.0964","","","","","","1.072","","","","has coordinates","235051","2020-10-21","18:00:00",""
"4036662","8.864","0.003","9.92","0.003","9.5","0.003","90","","115.8","0.03","90","","752.1","0.5","110","2","110","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C6 H6 N O5 P -","- C6 H6 N O5 P -","- C24 H24 N4 O20 P4 -","4","1","","Dziuganowska, Zofia A.; Ślepokura, Katarzyna; Volle, Jean-Noël; Virieux, David; Pirat, Jean-Luc; Kafarski, Paweł","Structural Analogues of Selfotel.","The Journal of organic chemistry","2016","81","12","4947","4954","10.1021/acs.joc.6b00220","","","0.71073","MoKα","","0.0502","0.0411","","","0.112","0.1157","","","","","","1.112","","","","has coordinates","235051","2020-10-21","18:00:00",""
"4036663","9.349","0.003","9.59","0.003","10.611","0.004","69.88","0.04","72","0.04","74.94","0.04","836.9","0.6","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C6 H8 N O6 P -","- C6 H8 N O6 P -","- C24 H32 N4 O24 P4 -","4","2","","Dziuganowska, Zofia A.; Ślepokura, Katarzyna; Volle, Jean-Noël; Virieux, David; Pirat, Jean-Luc; Kafarski, Paweł","Structural Analogues of Selfotel.","The Journal of organic chemistry","2016","81","12","4947","4954","10.1021/acs.joc.6b00220","","","0.71073","MoKα","","0.0338","0.0291","","","0.0834","0.0858","","","","","","1.05","","","","has coordinates","235051","2020-10-21","18:00:00",""
"4036664","7.497","0.002","9.928","0.003","23.123","0.006","90","","90","","90","","1721","0.8","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C6 H8 N O6 P -","- C6 H8 N O6 P -","- C48 H64 N8 O48 P8 -","8","1","","Dziuganowska, Zofia A.; Ślepokura, Katarzyna; Volle, Jean-Noël; Virieux, David; Pirat, Jean-Luc; Kafarski, Paweł","Structural Analogues of Selfotel.","The Journal of organic chemistry","2016","81","12","4947","4954","10.1021/acs.joc.6b00220","","","0.71073","MoKα","","0.0364","0.0286","","","0.079","0.0829","","","","","","1.072","","","","has coordinates","235051","2020-10-21","18:00:00",""
"4036665","4.948","0.002","12.937","0.003","13.024","0.003","90","","90","","90","","833.7","0.4","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C5 H7 N O6 P2 -","- C5 H7 N O6 P2 -","- C20 H28 N4 O24 P8 -","4","1","","Dziuganowska, Zofia A.; Ślepokura, Katarzyna; Volle, Jean-Noël; Virieux, David; Pirat, Jean-Luc; Kafarski, Paweł","Structural Analogues of Selfotel.","The Journal of organic chemistry","2016","81","12","4947","4954","10.1021/acs.joc.6b00220","","","0.71073","MoKα","","0.045","0.04","","","0.1028","0.1052","","","","","","1.085","","","","has coordinates","235051","2020-10-21","18:00:00",""
"4036666","13.41","0.004","8.969","0.003","17.268","0.005","90","","110.48","0.03","90","","1945.6","1.1","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C6 H9 N O6 P2 -","- C6 H9 N O6 P2 -","- C48 H72 N8 O48 P16 -","8","2","","Dziuganowska, Zofia A.; Ślepokura, Katarzyna; Volle, Jean-Noël; Virieux, David; Pirat, Jean-Luc; Kafarski, Paweł","Structural Analogues of Selfotel.","The Journal of organic chemistry","2016","81","12","4947","4954","10.1021/acs.joc.6b00220","","","0.71073","MoKα","","0.0335","0.0287","","","0.0727","0.0751","","","","","","1.035","","","","has coordinates","235051","2020-10-21","18:00:00",""
"4036667","5.93","0.002","13.177","0.003","11.05","0.003","90","","95.51","0.03","90","","859.5","0.4","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C6 H12 N O5 P -","- C6 H12 N O5 P -","- C24 H48 N4 O20 P4 -","4","1","","Dziuganowska, Zofia A.; Ślepokura, Katarzyna; Volle, Jean-Noël; Virieux, David; Pirat, Jean-Luc; Kafarski, Paweł","Structural Analogues of Selfotel.","The Journal of organic chemistry","2016","81","12","4947","4954","10.1021/acs.joc.6b00220","","","0.71073","MoKα","","0.0468","0.0328","","","0.0927","0.0978","","","","","","1.084","","","","has coordinates","235051","2020-10-21","18:00:00",""
"4036668","7.586","0.002","6.943","0.002","18.472","0.004","90","","99.37","0.03","90","","959.9","0.4","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C6 H14 N O6 P -","- C6 H14 N O6 P -","- C24 H56 N4 O24 P4 -","4","1","","Dziuganowska, Zofia A.; Ślepokura, Katarzyna; Volle, Jean-Noël; Virieux, David; Pirat, Jean-Luc; Kafarski, Paweł","Structural Analogues of Selfotel.","The Journal of organic chemistry","2016","81","12","4947","4954","10.1021/acs.joc.6b00220","","","1.5418","CuKα","","0.0781","0.0635","","","0.1579","0.1637","","","","","","1.027","","","","has coordinates","235051","2020-10-21","18:00:00",""
"4036669","18.0157","0.0006","24.8696","0.0008","7.5007","0.0003","90","","90","","90","","3360.6","0.2","296","2","296","2","","","","","","","","6","P c c n","-P 2ab 2ac","56","","","","- C18 H12 Cl N O3 S -","- C18 H12 Cl N O3 S -","- C144 H96 Cl8 N8 O24 S8 -","8","1","","Bharathiraja, Ganesan; Sathishkannan, Gopal; Punniyamurthy, Tharmalingam","Domino Synthesis of Tetrasubstituted Thiophenes from 1,3-Enynes with Mercaptoacetaldehyde.","The Journal of organic chemistry","2016","81","6","2670","2674","10.1021/acs.joc.6b00231","","","0.71073","MoKα","","0.0852","0.0441","","","0.1093","0.1237","","","","","","1.058","","","","has coordinates","235054","2020-10-21","18:00:00",""
"4036670","17.7379","0.0005","9.4418","0.0003","18.8452","0.0006","90","","106.138","0.0015","90","","3031.78","0.16","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C31 H37 Au N4 O4 -","- C31 H37 Au N4 O4 -","- C124 H148 Au4 N16 O16 -","4","0.5","","Mir, Roya; Dudding, Travis","A Au(I)-Precatalyst with a Cyclopropenium Counterion: An Unusual Ion Pair.","The Journal of organic chemistry","2016","81","6","2675","2679","10.1021/acs.joc.6b00241","","","0.71073","MoKα","","0.0429","0.0303","","","0.0758","0.0827","","","","","","1.046","","","","has coordinates,has disorder","235055","2020-10-21","18:00:00",""
"4036671","4.7994","0.0004","13.7192","0.0012","13.8234","0.0013","90","","95.721","0.002","90","","905.65","0.14","296","2","296.15","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C11 H11 N O2 -","- C11 H11 N O2 -","- C44 H44 N4 O8 -","4","1","","Li, Xing Guang; Sun, Min; Jin, Qiao; Liu, Kai; Liu, Pei Nian","Access to Isoquinolines and Isoquinolin-3-ols via Rh(III)-Catalyzed Coupling/Cyclization Cascade Reaction of Arylimidates and Diazo Compounds.","The Journal of organic chemistry","2016","81","9","3901","3910","10.1021/acs.joc.6b00264","","","0.71073","MoKα","","0.0525","0.042","","","0.1138","0.1228","","","","","","1.057","","","","has coordinates","235057","2020-10-21","18:00:00",""
"4036672","11.414","0.0019","22.478","0.004","7.5849","0.0012","90","","105.181","0.003","90","","1878.1","0.5","133","2","133","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H21 N O3 -","- C24 H21 N O3 -","- C96 H84 N4 O12 -","4","1","","Li, Xing Guang; Sun, Min; Jin, Qiao; Liu, Kai; Liu, Pei Nian","Access to Isoquinolines and Isoquinolin-3-ols via Rh(III)-Catalyzed Coupling/Cyclization Cascade Reaction of Arylimidates and Diazo Compounds.","The Journal of organic chemistry","2016","81","9","3901","3910","10.1021/acs.joc.6b00264","","","0.71073","MoKα","","0.0684","0.051","","","0.1069","0.1149","","","","","","1.059","","","","has coordinates","235059","2020-10-21","18:00:00",""
"4036673","12.742","0.003","14.71","0.003","29.88","0.006","90","","90","","90","","5601","2","120","2","120","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C35 H36 B N3 -","- C35 H36 B N3 -","- C280 H288 B8 N24 -","8","1","","Más-Montoya, Miriam; Usea, Laura; Espinosa Ferao, Arturo; Montenegro, María F; Ramírez de Arellano, Carmen; Tárraga, Alberto; Rodríguez-López, José N; Curiel, David","Single Heteroatom Fine-Tuning of the Emissive Properties in Organoboron Complexes with 7-(Azaheteroaryl)indole Systems.","The Journal of organic chemistry","2016","81","8","3296","3302","10.1021/acs.joc.6b00265","","","0.71073","MoKα","","0.2488","0.1087","","","0.2289","0.315","","","","","","0.986","","","","has coordinates","235061","2020-10-21","18:00:00",""
"4036674","10.4924","0.0004","10.6628","0.0004","18.416","0.0004","74.5955","0.0019","84.469","0.002","89.0236","0.0013","1977.01","0.12","120","2","120","2","","","","","","","","5","P -1","-P 1","2","DCC_LU40","","","- C27 H19 B N2 O -","- C27 H19 B N2 O -","- C108 H76 B4 N8 O4 -","4","2","","Más-Montoya, Miriam; Usea, Laura; Espinosa Ferao, Arturo; Montenegro, María F; Ramírez de Arellano, Carmen; Tárraga, Alberto; Rodríguez-López, José N; Curiel, David","Single Heteroatom Fine-Tuning of the Emissive Properties in Organoboron Complexes with 7-(Azaheteroaryl)indole Systems.","The Journal of organic chemistry","2016","81","8","3296","3302","10.1021/acs.joc.6b00265","","","0.71073","MoKα","","0.102","0.0547","","","0.1209","0.1396","","","","","","0.973","","","","has coordinates","235063","2020-10-21","18:00:00",""
"4036675","9.225","0.002","11.4","0.003","27.925","0.006","83.904","0.012","80.98","0.012","88.585","0.014","2883.9","1.2","296","2","296.15","","","","","","","","","5","P -1","-P 1","2","","","","- C33 H23 N O2 S -","- C33 H23 N O2 S -","- C132 H92 N4 O8 S4 -","4","2","","Mahendran, Vaithiyanathan; Pasumpon, Kamaraj; Thimmarayaperumal, Solaimalai; Thilagar, Pakkirisamy; Shanmugam, Sivakumar","Tetraphenylethene-2-Pyrone Conjugate: Aggregation-Induced Emission Study and Explosives Sensor.","The Journal of organic chemistry","2016","81","9","3597","3602","10.1021/acs.joc.6b00267","","","0.71073","MoKα","","0.1661","0.1026","","","0.2656","0.3067","","","","","","1.007","","","","has coordinates","250444","2020-10-21","18:00:00",""
"4036676","10.372","0.003","13.12","0.003","15.398","0.004","85.798","0.006","72.706","0.007","78.441","0.006","1959.9","0.9","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C47.26 H14.26 F18 N4.45 O3 -","- C47.2535 H14.2535 F18 N4.4507 O3 -","- C94.507 H28.507 F36 N8.9014 O6 -","2","1","","Hyland, Michael A.; Hewage, Nisansala; Panther, Kimberly; Nimthong-Roldán, Arunpatcha; Zeller, Matthias; Samaraweera, Milinda; Gascon, José A; Brückner, Christian","Chromene-Annulated Bacteriochlorins.","The Journal of organic chemistry","2016","81","9","3603","3618","10.1021/acs.joc.6b00273","","","0.71073","MoKα","","0.1767","0.0721","","","0.1584","0.1992","","","","","","0.975","","","","has coordinates,has disorder","235067","2020-10-21","18:00:00",""
"4036677","11.9327","0.0006","12.6785","0.0007","17.6556","0.0009","90","","109.402","0.002","90","","2519.4","0.2","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C22 H27 N3 O5 S -","- C22 H27 N3 O5 S -","- C88 H108 N12 O20 S4 -","4","2","","Shan, Jing; Cui, Baodong; Wang, Yu; Yang, Chengli; Zhou, Xiaojian; Han, Wenyong; Chen, Yongzheng","Organocatalytic Asymmetric Mannich Reaction of 3-Hydroxyoxindoles/3-Aminooxindoles with in Situ Generated N-Boc-Protected Aldimines for the Synthesis of Vicinal Oxindole-Diamines/Amino Alcohols.","The Journal of organic chemistry","2016","81","13","5270","5277","10.1021/acs.joc.6b00278","","","0.71073","MoKα","","0.0823","0.0522","","","0.1317","0.1481","","","","","","0.955","","","","has coordinates,has disorder","235069","2020-10-21","18:00:00",""
"4036678","11.9507","0.001","8.452","0.0005","17.0816","0.0014","90","","107.7","0.01","90","","1643.7","0.2","97.6","","97.6","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","pyrimido[2,1-a:4,3-a']diisoquinoline","","","- C21 H19 N3 O -","- C21 H19 N3 O -","- C84 H76 N12 O4 -","4","1","","Yang, Zhanhui; He, Wei; Cheng, Baoxiang; Xu, Jiaxi","Stereochemistry and Mechanistic Insight in the [2(k)+2(i)+2(i)] Annulations of Ketenes and Imines.","The Journal of organic chemistry","2016","81","11","4506","4515","10.1021/acs.joc.6b00279","","","0.7107","MoKα","","0.0651","0.0463","","","0.098","0.1084","","","","","","1.036","","","","has coordinates","235072","2020-10-21","18:00:00",""
"4036679","10.807","0.002","11.284","0.002","15.094","0.003","90","","90","","90","","1840.7","0.6","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","8","","","- C20 H26 Cl N3 O -","- C20 H26 Cl N3 O -","- C80 H104 Cl4 N12 O4 -","4","1","","Turočkin, Aleksej; Honeker, Roman; Raven, William; Selig, Philipp","Synthesis of Chiral Bicyclic Guanidinium Salts using Di(imidazole-1-yl)methanimine.","The Journal of organic chemistry","2016","81","11","4516","4529","10.1021/acs.joc.6b00283","","","0.71073","MoKα","","0.0403","0.0365","","","0.0882","0.0915","","","","","","1.033","","","","has coordinates","235074","2020-10-21","18:00:00",""
"4036680","7.1107","0.0011","16.739","0.003","23.312","0.004","90","","90","","90","","2774.7","0.8","100","2","100","2","","","","","","","","5","C 2 2 21","C 2c 2","20","10","","","- C33 H38 Cl N3 O2 -","- C33 H38 Cl N3 O2 -","- C132 H152 Cl4 N12 O8 -","4","0.5","","Turočkin, Aleksej; Honeker, Roman; Raven, William; Selig, Philipp","Synthesis of Chiral Bicyclic Guanidinium Salts using Di(imidazole-1-yl)methanimine.","The Journal of organic chemistry","2016","81","11","4516","4529","10.1021/acs.joc.6b00283","","","0.71073","MoKα","","0.0674","0.0492","","","0.0969","0.1062","","","","","","1.049","","","","has coordinates","235074","2020-10-21","18:00:00",""
"4036681","15.5961","0.0009","15.5961","0.0009","14.7319","0.0009","90","","90","","90","","3583.4","0.4","100","2","100","2","","","","","","","","4","P 41 21 2","P 4abw 2nw","92","38","","","- C13 H27 Cl3 N3 -","- C13 H27 Cl3 N3 -","- C104 H216 Cl24 N24 -","8","1","","Turočkin, Aleksej; Honeker, Roman; Raven, William; Selig, Philipp","Synthesis of Chiral Bicyclic Guanidinium Salts using Di(imidazole-1-yl)methanimine.","The Journal of organic chemistry","2016","81","11","4516","4529","10.1021/acs.joc.6b00283","","","0.71073","MoKα","","0.0328","0.0296","","","0.0751","0.0776","","","","","","1.039","","","","has coordinates","235074","2020-10-21","18:00:00",""
"4036682","8.4477","0.0002","6.0345","0.0002","13.8768","0.0004","90","","104.753","0.002","90","","684.09","0.03","120","2","120","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C13 H14 F4 O4 -","- C13 H14 F4 O4 -","- C26 H28 F8 O8 -","2","1","","Golten, Samuel; Fontenelle, Clément Q; Timofte, Roxana S.; Bailac, Laura; Light, Mark; Sebban, Muriel; Oulyadi, Hassan; Linclau, Bruno","Enantioselective Synthesis of Dideoxy-tetrafluorinated Hexoses.","The Journal of organic chemistry","2016","81","11","4434","4453","10.1021/acs.joc.6b00302","","","0.71073","MoKα","","0.0505","0.0416","","","0.0926","0.0991","","","","","","1.073","","","","has coordinates","235077","2020-10-21","18:00:00",""
"4036683","8.8199","0.0003","5.5422","0.0002","28.043","0.0007","90","","91.413","0.002","90","","1370.37","0.08","120","2","120","2","","","","","","","Clement Fontenelle","4","P 1 21/c 1","-P 2ybc","14","","","","- C13 H14 F4 O4 -","- C13 H14 F4 O4 -","- C52 H56 F16 O16 -","4","1","","Golten, Samuel; Fontenelle, Clément Q; Timofte, Roxana S.; Bailac, Laura; Light, Mark; Sebban, Muriel; Oulyadi, Hassan; Linclau, Bruno","Enantioselective Synthesis of Dideoxy-tetrafluorinated Hexoses.","The Journal of organic chemistry","2016","81","11","4434","4453","10.1021/acs.joc.6b00302","","","0.71073","MoKα","K-L~2,3~","0.0506","0.0471","","","0.1156","0.118","","","","","","1.13","","","","has coordinates,has disorder","235077","2020-10-21","18:00:00",""
"4036684","11.179","0.005","9.212","0.004","7.815","0.004","90","","95.815","0.009","90","","800.7","0.6","100","2","100","2","","","","","","","Clement Fontenelle","4","P 1 21/c 1","-P 2ybc","14","","","","- C6 H8 F4 O4 -","- C6 H8 F4 O4 -","- C24 H32 F16 O16 -","4","1","","Golten, Samuel; Fontenelle, Clément Q; Timofte, Roxana S.; Bailac, Laura; Light, Mark; Sebban, Muriel; Oulyadi, Hassan; Linclau, Bruno","Enantioselective Synthesis of Dideoxy-tetrafluorinated Hexoses.","The Journal of organic chemistry","2016","81","11","4434","4453","10.1021/acs.joc.6b00302","","","0.71075","MoKα","","0.0348","0.0298","","","0.0734","0.0761","","","","","","1.061","","","","has coordinates","235077","2020-10-21","18:00:00",""
"4036685","8.352","0.003","9.152","0.004","9.948","0.003","90","","90","","90","","760.4","0.5","100","2","100","2","","","","","","","Clement Fontenelle","4","P 21 21 21","P 2ac 2ab","19","","","","- C6 H8 F4 O4 -","- C6 H8 F4 O4 -","- C24 H32 F16 O16 -","4","1","","Golten, Samuel; Fontenelle, Clément Q; Timofte, Roxana S.; Bailac, Laura; Light, Mark; Sebban, Muriel; Oulyadi, Hassan; Linclau, Bruno","Enantioselective Synthesis of Dideoxy-tetrafluorinated Hexoses.","The Journal of organic chemistry","2016","81","11","4434","4453","10.1021/acs.joc.6b00302","","","0.71075","MoKα","","0.0541","0.0463","","","0.1118","0.1142","","","","","","0.994","","","","has coordinates","235077","2020-10-21","18:00:00",""
"4036686","6.409","0.003","13.252","0.006","15.665","0.007","90","","90","","90","","1330.5","1.1","100","2","100","2","","","","","","","Samuel Golten","4","P 21 21 21","P 2ac 2ab","19","","","","- C13 H14 F4 O4 -","- C13 H14 F4 O4 -","- C52 H56 F16 O16 -","4","1","","Golten, Samuel; Fontenelle, Clément Q; Timofte, Roxana S.; Bailac, Laura; Light, Mark; Sebban, Muriel; Oulyadi, Hassan; Linclau, Bruno","Enantioselective Synthesis of Dideoxy-tetrafluorinated Hexoses.","The Journal of organic chemistry","2016","81","11","4434","4453","10.1021/acs.joc.6b00302","","","0.71075","MoKα","","0.0482","0.0439","","","0.0708","0.0724","","","","","","1.164","","","","has coordinates","235077","2020-10-21","18:00:00",""
"4036687","6.818","0.002","8.012","0.002","16.976","0.006","90","","90.728","0.005","90","","927.3","0.5","100","2","100","2","","","","","","","Clement Fontenelle","4","P 1 21/n 1","-P 2yn","14","","","","- C7 H10 F4 O4 -","- C7 H10 F4 O4 -","- C28 H40 F16 O16 -","4","1","","Golten, Samuel; Fontenelle, Clément Q; Timofte, Roxana S.; Bailac, Laura; Light, Mark; Sebban, Muriel; Oulyadi, Hassan; Linclau, Bruno","Enantioselective Synthesis of Dideoxy-tetrafluorinated Hexoses.","The Journal of organic chemistry","2016","81","11","4434","4453","10.1021/acs.joc.6b00302","","","0.71075","MoKα","","0.0359","0.0315","","","0.0743","0.0773","","","","","","1.071","","","","has coordinates","235077","2020-10-21","18:00:00",""
"4036688","8.376","0.004","15.294","0.007","15.064","0.007","90","","90","","90","","1929.7","1.6","100","2","100","2","","","","","","","","4","P c c n","-P 2ab 2ac","56","","","","- C7 H10 F4 O4 -","- C7 H10 F4 O4 -","- C56 H80 F32 O32 -","8","1","","Golten, Samuel; Fontenelle, Clément Q; Timofte, Roxana S.; Bailac, Laura; Light, Mark; Sebban, Muriel; Oulyadi, Hassan; Linclau, Bruno","Enantioselective Synthesis of Dideoxy-tetrafluorinated Hexoses.","The Journal of organic chemistry","2016","81","11","4434","4453","10.1021/acs.joc.6b00302","","x-ray","0.71073","MoKα","","0.1272","0.0857","","","0.1622","0.1852","","","","","","1.15","","","","has coordinates,has disorder","235077","2020-10-21","18:00:00",""
"4036689","6.0449","0.0002","9.1342","0.0003","25.1182","0.0017","90","","94.374","0.007","90","","1382.87","0.11","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C15 H11 Br F4 O2 -","- C15 H11 Br F4 O2 -","- C60 H44 Br4 F16 O8 -","4","1","","Golten, Samuel; Fontenelle, Clément Q; Timofte, Roxana S.; Bailac, Laura; Light, Mark; Sebban, Muriel; Oulyadi, Hassan; Linclau, Bruno","Enantioselective Synthesis of Dideoxy-tetrafluorinated Hexoses.","The Journal of organic chemistry","2016","81","11","4434","4453","10.1021/acs.joc.6b00302","","x-ray","0.71075","MoKα","K-L~3~","0.0302","0.0255","","","0.0739","0.0759","","","","","","1.126","","","","has coordinates","235077","2020-10-21","18:00:00",""
"4036690","9.2027","0.0012","5.966","0.0006","25.78","0.003","90","","99.679","0.002","90","","1395.3","0.3","100","2","100","2","","","","","","","Clement Fontenelle","5","P 1 21/n 1","-P 2yn","14","","","","- C15 H11 Br F4 O2 -","- C15 H11 Br F4 O2 -","- C60 H44 Br4 F16 O8 -","4","1","","Golten, Samuel; Fontenelle, Clément Q; Timofte, Roxana S.; Bailac, Laura; Light, Mark; Sebban, Muriel; Oulyadi, Hassan; Linclau, Bruno","Enantioselective Synthesis of Dideoxy-tetrafluorinated Hexoses.","The Journal of organic chemistry","2016","81","11","4434","4453","10.1021/acs.joc.6b00302","","","0.71073","MoKα","","0.0318","0.0295","","","0.0767","0.0782","","","","","","1.035","","","","has coordinates","235077","2020-10-21","18:00:00",""
"4036691","19.9933","0.0011","10.6809","0.0008","15.059","0.0014","90","","110.869","0.002","90","","3004.8","0.4","298","2","298","2","","","","","","","Clement Fontenelle","4","P 1 21/c 1","-P 2ybc","14","","","","- C12 H14 F4 O7 -","- C12 H14 F4 O7 -","- C96 H112 F32 O56 -","8","2","","Golten, Samuel; Fontenelle, Clément Q; Timofte, Roxana S.; Bailac, Laura; Light, Mark; Sebban, Muriel; Oulyadi, Hassan; Linclau, Bruno","Enantioselective Synthesis of Dideoxy-tetrafluorinated Hexoses.","The Journal of organic chemistry","2016","81","11","4434","4453","10.1021/acs.joc.6b00302","","","0.71073","MoKα","","0.0597","0.0373","","","0.094","0.1028","","","","","","0.961","","","","has coordinates","235077","2020-10-21","18:00:00",""
"4036692","8.03533","0.00015","9.59356","0.00019","41.5946","0.0009","90","","90","","90","","3206.42","0.11","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C17 H16 F4 O4 -","- C17 H16 F4 O4 -","- C136 H128 F32 O32 -","8","2","","Golten, Samuel; Fontenelle, Clément Q; Timofte, Roxana S.; Bailac, Laura; Light, Mark; Sebban, Muriel; Oulyadi, Hassan; Linclau, Bruno","Enantioselective Synthesis of Dideoxy-tetrafluorinated Hexoses.","The Journal of organic chemistry","2016","81","11","4434","4453","10.1021/acs.joc.6b00302","","x-ray","0.71073","MoKα","","0.048","0.0453","","","0.1188","0.1212","","","","","","1.034","","","","has coordinates","235077","2020-10-21","18:00:00",""
"4036693","34.459","0.003","6.7887","0.0007","18.2939","0.0018","90","","93.152","0.002","90","","4273.1","0.7","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C26 H22 O2 S -","- C26 H22 O2 S -","- C208 H176 O16 S8 -","8","1","","Xie, Meihua; Wang, Shengke; Wang, Jun; Fang, Kuang; Liu, Changqing; Zha, Chao; Jia, Jing","Construction of Substituted Benzenes via Pd-Catalyzed Cross-Coupling/Cyclization Reaction of Vinyl Halides and Terminal Alkynes.","The Journal of organic chemistry","2016","81","8","3329","3334","10.1021/acs.joc.6b00308","","","0.71073","MoKα","","0.063","0.0464","","","0.1356","0.151","","","","","","1.023","","","","has coordinates","235080","2020-10-21","18:00:00",""
"4036694","9.769","0.002","10.877","0.003","18.235","0.004","90","","90","","90","","1937.6","0.8","173.15","","173.15","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C22 H21 N O2 S -","- C22 H21 N O2 S -","- C88 H84 N4 O8 S4 -","4","1","","Liang, Zhi-Qin; Yi, Liang; Chen, Kun-Quan; Ye, Song","N-Heterocyclic Carbene-Catalyzed [3 + 4] Annulation of Enals and Alkenyl Thiazolones: Enantioselective Synthesis of Thiazole-Fused ε-Lactones.","The Journal of organic chemistry","2016","81","11","4841","4846","10.1021/acs.joc.6b00313","","","0.71073","MoKα","","0.0325","0.0322","","","0.1125","0.113","","","","","","0.972","","","","has coordinates","235082","2020-10-21","18:00:00",""
"4036695","18.199","0.005","7.93","0.002","13.983","0.004","90","","102.149","0.003","90","","1972.8","0.9","173.15","","173.15","","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C25 H19 N O2 S -","- C25 H19 N O2 S -","- C100 H76 N4 O8 S4 -","4","1","","Liang, Zhi-Qin; Yi, Liang; Chen, Kun-Quan; Ye, Song","N-Heterocyclic Carbene-Catalyzed [3 + 4] Annulation of Enals and Alkenyl Thiazolones: Enantioselective Synthesis of Thiazole-Fused ε-Lactones.","The Journal of organic chemistry","2016","81","11","4841","4846","10.1021/acs.joc.6b00313","","","0.71073","MoKα","","0.0293","0.0284","","","0.0686","0.0692","","","","","","1.072","","","","has coordinates","235084","2020-10-21","18:00:00",""
"4036696","20.7493","0.0011","15.5182","0.0008","25.9268","0.0014","90","","95.456","0.003","90","","8310.4","0.8","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","TEMPO","","- C25 H28 N O3 -","- C25 H28 N O3 -","- C400 H448 N16 O48 -","16","2","","Aparici-Espert, Isabel; Francés-Monerris, Antonio; Rodríguez-Muñiz, Gemma M; Roca-Sanjuán, Daniel; Lhiaubet-Vallet, Virginie; Miranda, Miguel A.","A Combined Experimental and Theoretical Approach to the Photogeneration of 5,6-Dihydropyrimidin-5-yl Radicals in Nonaqueous Media.","The Journal of organic chemistry","2016","81","10","4031","4038","10.1021/acs.joc.6b00314","","x-ray","0.71073","MoKα","","0.157","0.0851","","","0.2133","0.2598","","","","","","1.034","","","","has coordinates,has disorder","235086","2020-10-21","18:00:00",""
"4036697","7.5084","0.0007","13.275","0.0011","11.7594","0.0011","90","","97.617","0.003","90","","1161.76","0.18","250","2","250","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C26 H19 N3 O8 -","- C26 H19 N3 O8 -","- C52 H38 N6 O16 -","2","1","","Ramig, Keith; Subramaniam, Gopal; Karimi, Sasan; Szalda, David J.; Ko, Allen; Lam, Aaron; Li, Jeffrey; Coaderaj, Ani; Cavdar, Leyla; Bogdan, Lukasz; Kwon, Kitae; Greer, Edyta M.","Interplay of Nitrogen-Atom Inversion and Conformational Inversion in Enantiomerization of 1H-1-Benzazepines.","The Journal of organic chemistry","2016","81","8","3313","3320","10.1021/acs.joc.6b00319","","","0.71073","MoKα","","0.1543","0.058","","","0.0817","0.1019","","","","","","0.953","","","","has coordinates,has disorder","235088","2020-10-21","18:00:00",""
"4036698","8.477","0.0003","10.9753","0.0004","25.6472","0.0009","90","","90","","90","","2386.15","0.15","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","ethyl (6aS,7R,7aS)-3-bromo-6-chloro-6a,7a-dihydro-7H -cyclopropa[d]imidazo[1,2-b]pyridazine-7-carboxylate","","- C10 H9 Br Cl N3 O2 -","- C10 H9 Br Cl N3 O2 -","- C80 H72 Br8 Cl8 N24 O16 -","8","2","","Joshi-Pangu, Amruta; Cohen, Ryan D.; Tudge, Matthew T.; Chen, Yonggang","Dearomatization of Electron-Deficient Nitrogen Heterocycles via Cobalt-Catalyzed Asymmetric Cyclopropanation.","The Journal of organic chemistry","2016","81","8","3070","3075","10.1021/acs.joc.6b00322","","","1.54178","CuKα","","0.0149","0.0147","","","0.0374","0.0375","","","","","","1.042","","","","has coordinates","235090","2020-10-21","18:00:00",""
"4036699","7.452","0.0007","12.696","0.0011","17.794","0.0015","88.96","0.002","85.354","0.001","83.372","0.001","1666.7","0.3","298","2","298","2","","","","","","","","7","P -1","-P 1","2","","","","- C34 H26 Br2 F2 N4 O2 S2 -","- C34 H26 Br2 F2 N4 O2 S2 -","- C68 H52 Br4 F4 N8 O4 S4 -","2","1","","Sun, Jun; Qiu, Jiang-Kai; Jiang, Bo; Hao, Wen-Juan; Guo, Cheng; Tu, Shu-Jiang","I2-Catalyzed Multicomponent Reactions for Accessing Densely Functionalized Pyrazolo[1,5-a]pyrimidines and Their Disulphenylated Derivatives.","The Journal of organic chemistry","2016","81","8","3321","3328","10.1021/acs.joc.6b00332","","","0.71073","MoKα","","0.218","0.1249","","","0.356","0.3891","","","","","","1.096","","","","has coordinates","235092","2020-10-21","18:00:00",""
"4036700","10.6993","0.0009","18.1201","0.0016","11.5317","0.0011","90","","116.43","0.002","90","","2002","0.3","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C21 H18 N4 O5 S -","- C21 H18 N4 O5 S -","- C84 H72 N16 O20 S4 -","4","1","","Sun, Jun; Qiu, Jiang-Kai; Jiang, Bo; Hao, Wen-Juan; Guo, Cheng; Tu, Shu-Jiang","I2-Catalyzed Multicomponent Reactions for Accessing Densely Functionalized Pyrazolo[1,5-a]pyrimidines and Their Disulphenylated Derivatives.","The Journal of organic chemistry","2016","81","8","3321","3328","10.1021/acs.joc.6b00332","","","0.71073","MoKα","","0.1092","0.051","","","0.0941","0.1057","","","","","","1.072","","","","has coordinates,has disorder","235095","2020-10-21","18:00:00",""
"4036701","6.3341","0.0005","12.6687","0.0011","14.0857","0.0012","90","","90","","90","","1130.3","0.16","90","2","90","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C14 H11 N3 -","- C14 H11 N3 -","- C56 H44 N12 -","4","1","","Bagdasarian, Alex L.; Nguyen, Huy H.; Palazzo, Teresa A.; Fettinger, James C.; Haddadin, Makhluf J.; Kurth, Mark J.","One-Pot Synthesis of Benzo[4,5]imidazo[2,1-a]isoquinolines and Isoquinolino[3,4-b]quinoxalines via Tandem Cyclization Strategies.","The Journal of organic chemistry","2016","81","9","3924","3928","10.1021/acs.joc.6b00338","","","1.54178","CuKα","","0.0272","0.0272","","","0.0729","0.0729","","","","","","1.053","","","","has coordinates","235097","2020-10-21","18:00:00",""
"4036702","11.2549","0.0009","21.3447","0.0017","7.1406","0.0006","90","","102.257","0.0012","90","","1676.3","0.2","90","2","90","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H15 N3 O2 -","- C18 H15 N3 O2 -","- C72 H60 N12 O8 -","4","1","","Bagdasarian, Alex L.; Nguyen, Huy H.; Palazzo, Teresa A.; Fettinger, James C.; Haddadin, Makhluf J.; Kurth, Mark J.","One-Pot Synthesis of Benzo[4,5]imidazo[2,1-a]isoquinolines and Isoquinolino[3,4-b]quinoxalines via Tandem Cyclization Strategies.","The Journal of organic chemistry","2016","81","9","3924","3928","10.1021/acs.joc.6b00338","","","0.71073","MoKα","","0.0502","0.0459","","","0.1117","0.1147","","","","","","1.084","","","","has coordinates,has disorder","235098","2020-10-21","18:00:00",""
"4036703","10.6449","0.0009","3.7919","0.0003","15.6497","0.0014","90","","101.161","0.006","90","","619.74","0.09","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H8 O2 S -","- C18 H8 O2 S -","- C36 H16 O4 S2 -","2","0.5","","Marshall, Jonathan L.; O'Neal, Nathaniel J; Zakharov, Lev N.; Haley, Michael M.","Synthesis and Characterization of Two Unsymmetrical Indenofluorene Analogues: Benzo[5,6]-s-indaceno[1,2-b]thiophene and Benzo[5,6]-s-indaceno[2,1-b]thiophene.","The Journal of organic chemistry","2016","81","9","3674","3680","10.1021/acs.joc.6b00340","","","1.54178","CuKα","","0.0633","0.0504","","","0.1175","0.1242","","","","","","1.037","","","","has coordinates,has disorder","235101","2020-10-21","18:00:00",""
"4036704","14.4257","0.0004","7.1547","0.0002","13.5478","0.0005","90","","108.148","0.002","90","","1328.73","0.07","173","2","173","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C36 H30 S -","- C36 H30 S -","- C72 H60 S2 -","2","0.5","","Marshall, Jonathan L.; O'Neal, Nathaniel J; Zakharov, Lev N.; Haley, Michael M.","Synthesis and Characterization of Two Unsymmetrical Indenofluorene Analogues: Benzo[5,6]-s-indaceno[1,2-b]thiophene and Benzo[5,6]-s-indaceno[2,1-b]thiophene.","The Journal of organic chemistry","2016","81","9","3674","3680","10.1021/acs.joc.6b00340","","","1.54178","CuKα","","0.0507","0.0427","","","0.1132","0.1202","","","","","","1.033","","","","has coordinates","235103","2020-10-21","18:00:00",""
"4036705","12.4687","0.0011","8.077","0.0008","30.511","0.003","90","","98.391","0.007","90","","3039.9","0.5","223","2","223","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C78 H72 S2 -","- C72 H58 S2 -","- C144 H116 S4 -","2","0.5","","Marshall, Jonathan L.; O'Neal, Nathaniel J; Zakharov, Lev N.; Haley, Michael M.","Synthesis and Characterization of Two Unsymmetrical Indenofluorene Analogues: Benzo[5,6]-s-indaceno[1,2-b]thiophene and Benzo[5,6]-s-indaceno[2,1-b]thiophene.","The Journal of organic chemistry","2016","81","9","3674","3680","10.1021/acs.joc.6b00340","","","1.54178","CuKα","","0.0796","0.0586","","","0.1677","0.1791","","","","","","1.035","","","","has coordinates","235105","2020-10-21","18:00:00",""
"4036706","7.902","0.0008","26.05","0.002","36.307","0.003","90","","92.155","0.007","90","","7468.4","1.1","223","2","223","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C47 H46 N S -","- C47 H40 N S -","- C376 H320 N8 S8 -","8","2","","Marshall, Jonathan L.; O'Neal, Nathaniel J; Zakharov, Lev N.; Haley, Michael M.","Synthesis and Characterization of Two Unsymmetrical Indenofluorene Analogues: Benzo[5,6]-s-indaceno[1,2-b]thiophene and Benzo[5,6]-s-indaceno[2,1-b]thiophene.","The Journal of organic chemistry","2016","81","9","3674","3680","10.1021/acs.joc.6b00340","","","1.54178","CuKα","","0.1436","0.0909","","","0.2383","0.2823","","","","","","1.03","","","","has coordinates","235106","2020-10-21","18:00:00",""
"4036707","14.422","0.003","7.1233","0.0015","13.738","0.003","90","","109.229","0.004","90","","1332.6","0.5","173","2","173","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C36 H30 S -","- C36 H30 S -","- C72 H60 S2 -","2","0.5","","Marshall, Jonathan L.; O'Neal, Nathaniel J; Zakharov, Lev N.; Haley, Michael M.","Synthesis and Characterization of Two Unsymmetrical Indenofluorene Analogues: Benzo[5,6]-s-indaceno[1,2-b]thiophene and Benzo[5,6]-s-indaceno[2,1-b]thiophene.","The Journal of organic chemistry","2016","81","9","3674","3680","10.1021/acs.joc.6b00340","","","0.71073","MoKα","","0.0842","0.0496","","","0.1058","0.1202","","","","","","1.024","","","","has coordinates,has disorder","235108","2020-10-21","18:00:00",""
"4036708","17.8322","0.0005","8.1594","0.0002","21.3798","0.0006","90","","98.114","0.002","90","","3079.62","0.14","173","2","173","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C40 H38 S -","- C40 H38 S -","- C160 H152 S4 -","4","1","","Marshall, Jonathan L.; O'Neal, Nathaniel J; Zakharov, Lev N.; Haley, Michael M.","Synthesis and Characterization of Two Unsymmetrical Indenofluorene Analogues: Benzo[5,6]-s-indaceno[1,2-b]thiophene and Benzo[5,6]-s-indaceno[2,1-b]thiophene.","The Journal of organic chemistry","2016","81","9","3674","3680","10.1021/acs.joc.6b00340","","","1.54178","CuKα","","0.0626","0.0484","","","0.1303","0.1404","","","","","","1.035","","","","has coordinates","235109","2020-10-21","18:00:00",""
"4036709","10.082","0.013","10.799","0.015","13.267","0.017","105.568","0.016","93.489","0.01","111.33","0.02","1276","3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C32 H25 N O S -","- C32 H25 N O S -","- C64 H50 N2 O2 S2 -","2","1","","Nandi, Ganesh Chandra; Singh, Maya Shankar","p-TSA/Base-Promoted Propargylation/Cyclization of β-Ketothioamides for the Regioselective Synthesis of Highly Substituted (Hydro)thiophenes.","The Journal of organic chemistry","2016","81","14","5824","5836","10.1021/acs.joc.6b00342","","","0.71073","MoKα","","0.1329","0.0638","","","0.1566","0.1823","","","","","","0.581","","","","has coordinates","235111","2020-10-21","18:00:00",""
"4036710","9.693","0.008","11.824","0.01","12.174","0.009","75.4","0.03","81.66","0.04","88.8","0.04","1335.8","1.9","301","2","301","2","","","","","","","","6","P -1","-P 1","2","","","","- C32 H26 Cl N O2 S -","- C32 H26 Cl N O2 S -","- C64 H52 Cl2 N2 O4 S2 -","2","1","","Nandi, Ganesh Chandra; Singh, Maya Shankar","p-TSA/Base-Promoted Propargylation/Cyclization of β-Ketothioamides for the Regioselective Synthesis of Highly Substituted (Hydro)thiophenes.","The Journal of organic chemistry","2016","81","14","5824","5836","10.1021/acs.joc.6b00342","","","0.71073","MoKα","","0.1498","0.0749","","","0.1592","0.1835","","","","","","0.684","","","","has coordinates","235113","2020-10-21","18:00:00",""
"4036711","9.594","0.007","9.699","0.007","11.132","0.006","67.85","0.05","65.73","0.04","70.29","0.05","854","1.1","113","2","113","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H16 Cl N O -","- C22 H16 Cl N O -","- C44 H32 Cl2 N2 O2 -","2","1","","Liu, Le; Zhang, Tonghuan; Yang, Yun-Fang; Zhang-Negrerie, Daisy; Zhang, Xinhao; Du, Yunfei; Wu, Yun-Dong; Zhao, Kang","Metal-Free Synthesis of 3-Arylquinolin-2-ones from Acrylic Amides via a Highly Regioselective 1,2-Aryl Migration: An Experimental and Computational Study.","The Journal of organic chemistry","2016","81","10","4058","4065","10.1021/acs.joc.6b00345","","","0.71073","MoKα","","0.058","0.0558","","","0.1473","0.1497","","","","","","1.049","","","","has coordinates","235115","2020-10-21","18:00:00",""
"4036712","14.855","0.008","14.726","0.008","16.022","0.009","90","","90","","90","","3505","3","113","2","113","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C22 H18 Cl N O -","- C22 H18 Cl N O -","- C176 H144 Cl8 N8 O8 -","8","1","","Liu, Le; Zhang, Tonghuan; Yang, Yun-Fang; Zhang-Negrerie, Daisy; Zhang, Xinhao; Du, Yunfei; Wu, Yun-Dong; Zhao, Kang","Metal-Free Synthesis of 3-Arylquinolin-2-ones from Acrylic Amides via a Highly Regioselective 1,2-Aryl Migration: An Experimental and Computational Study.","The Journal of organic chemistry","2016","81","10","4058","4065","10.1021/acs.joc.6b00345","","","0.71073","MoKα","","0.0565","0.0448","","","0.1058","0.1126","","","","","","1.024","","","","has coordinates","235117","2020-10-21","18:00:00",""
"4036713","11.2211","0.0014","12.2573","0.0016","12.3317","0.0017","64.763","0.003","84.332","0.003","62.918","0.002","1356.4","0.3","293","","293.15","","","","","","","","","4","P -1","-P 1","2","","","","- C35 H29 N O3 -","- C35 H29 N O3 -","- C70 H58 N2 O6 -","2","1","","Li, Xiangdong; Xie, Xin; Liu, Yuanhong","Gold(I)-Catalyzed Cascade Hydroarylation/Cycloaromatization to Indolizines via Pyridine Ring Construction.","The Journal of organic chemistry","2016","81","9","3688","3699","10.1021/acs.joc.6b00346","","","0.71073","MoKα","","0.0967","0.051","","","0.1172","0.1391","","","","","","1.016","","","","has coordinates","235119","2020-10-21","18:00:00",""
"4036714","9.5214","0.0014","10.2787","0.0016","12.4442","0.0019","83.817","0.004","81.424","0.003","88.874","0.004","1197.3","0.3","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C33 H25 N O -","- C33 H25 N O -","- C66 H50 N2 O2 -","2","1","","Li, Xiangdong; Xie, Xin; Liu, Yuanhong","Gold(I)-Catalyzed Cascade Hydroarylation/Cycloaromatization to Indolizines via Pyridine Ring Construction.","The Journal of organic chemistry","2016","81","9","3688","3699","10.1021/acs.joc.6b00346","","","0.71073","MoKα","","0.0895","0.0558","","","0.1343","0.1535","","","","","","1.017","","","","has coordinates","235121","2020-10-21","18:00:00",""
"4036715","6.3888","0.0011","21.936","0.004","22.578","0.004","90","","90","","90","","3164.2","1","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C42 H33 N O2 -","- C42 H33 N O2 -","- C168 H132 N4 O8 -","4","1","","Li, Xiangdong; Xie, Xin; Liu, Yuanhong","Gold(I)-Catalyzed Cascade Hydroarylation/Cycloaromatization to Indolizines via Pyridine Ring Construction.","The Journal of organic chemistry","2016","81","9","3688","3699","10.1021/acs.joc.6b00346","","","0.71073","MoKα","","0.076","0.0476","","","0.1035","0.116","","","","","","0.953","","","","has coordinates","235122","2020-10-21","18:00:00",""
"4036716","11.0733","0.001","13.034","0.0013","19.5764","0.0019","90","","93.82","0.003","90","","2819.2","0.5","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C35 H29 N O3 -","- C35 H29 N O3 -","- C140 H116 N4 O12 -","4","1","","Li, Xiangdong; Xie, Xin; Liu, Yuanhong","Gold(I)-Catalyzed Cascade Hydroarylation/Cycloaromatization to Indolizines via Pyridine Ring Construction.","The Journal of organic chemistry","2016","81","9","3688","3699","10.1021/acs.joc.6b00346","","","0.71073","MoKα","","0.1061","0.0545","","","0.1302","0.1541","","","","","","1.013","","","","has coordinates","235124","2020-10-21","18:00:00",""
"4036717","7.2421","0.0016","7.249","0.0016","12.642","0.003","90","","90","","90","","663.7","0.3","300","2","300","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C4 H8 N6 -","- C4 H8 N6 -","- C16 H32 N24 -","4","1","","List, Manuela; Puchinger, Helmut; Gabriel, Herbert; Monkowius, Uwe; Schwarzinger, Clemens","N-Methylmelamines: Synthesis, Characterization, and Physical Properties.","The Journal of organic chemistry","2016","81","10","4066","4075","10.1021/acs.joc.6b00355","","","0.71073","MoKα","","0.0381","0.0369","","","0.0953","0.096","","","","","","1.103","","","","has coordinates","235126","2020-10-21","18:00:00",""
"4036718","14.8994","0.0009","10.3474","0.0007","28.42","0.002","90","","90.814","0.002","90","","4381.1","0.5","300","2","300","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C8 H16 N6 -","- C8 H16 N6 -","- C128 H256 N96 -","16","2","","List, Manuela; Puchinger, Helmut; Gabriel, Herbert; Monkowius, Uwe; Schwarzinger, Clemens","N-Methylmelamines: Synthesis, Characterization, and Physical Properties.","The Journal of organic chemistry","2016","81","10","4066","4075","10.1021/acs.joc.6b00355","","","0.71073","MoKα","","0.0705","0.0531","","","0.1428","0.1562","","","","","","1.029","","","","has coordinates","235128","2020-10-21","18:00:00",""
"4036719","20.343","0.005","20.343","0.005","9.88","0.003","90","","90","","120","","3540.9","1.6","233","2","233","2","","","","","","","","3","R -3 c :H","-R 3 2""c","167","","","","- C5 H10 N6 -","- C5 H10 N6 -","- C90 H180 N108 -","18","0.5","","List, Manuela; Puchinger, Helmut; Gabriel, Herbert; Monkowius, Uwe; Schwarzinger, Clemens","N-Methylmelamines: Synthesis, Characterization, and Physical Properties.","The Journal of organic chemistry","2016","81","10","4066","4075","10.1021/acs.joc.6b00355","","","0.71073","MoKα","","0.0579","0.0442","","","0.1214","0.133","","","","","","1.045","","","","has coordinates","235130","2020-10-21","18:00:00",""
"4036720","7.3976","0.001","7.3976","0.001","13.714","0.002","90","","90","","90","","750.49","0.18","230","2","230","2","","","","","","","","3","P 43 21 2","P 4nw 2abw","96","","","","- C5 H10 N6 -","- C5 H10 N6 -","- C20 H40 N24 -","4","0.5","","List, Manuela; Puchinger, Helmut; Gabriel, Herbert; Monkowius, Uwe; Schwarzinger, Clemens","N-Methylmelamines: Synthesis, Characterization, and Physical Properties.","The Journal of organic chemistry","2016","81","10","4066","4075","10.1021/acs.joc.6b00355","","","0.71073","MoKα","","0.0322","0.0294","","","0.0821","0.084","","","","","","1.116","","","","has coordinates","235131","2020-10-21","18:00:00",""
"4036721","9.0188","0.0008","21.1444","0.0019","10.7833","0.0009","90","","111.097","0.002","90","","1918.5","0.3","110","2","110","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C42 H50 N4 O6 -","- C42 H50 N4 O6 -","- C84 H100 N8 O12 -","2","1","","Fang, Lixia; Lv, Caixia; Wang, Guo; Feng, Lei; Stavropoulos, Pericles; Gao, Guangpeng; Ai, Lin; Zhang, Jiaxin","Discrimination of Enantiomers of Dipeptide Derivatives with Two Chiral Centers by Tetraaza Macrocyclic Chiral Solvating Agents Using <sup>1</sup>H NMR Spectroscopy.","Organic chemistry frontiers : an international journal of organic chemistry","2016","3","12","1716","1724","10.1039/C6QO00521G","","","0.71073","MoKα","","0.0419","0.0357","","","0.0756","0.0789","","","","","","1.025","","","","has coordinates","235132","2020-10-21","18:00:00",""
"4036722","37.839","0.004","25.19","0.002","13.63","0.0014","90","","101.307","0.002","90","","12739","2","110","2","110","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C36 H36 Cl2 N4 O4 -","- C36 H36 Cl2 N4 O4 -","- C432 H432 Cl24 N48 O48 -","12","3","","Fang, Lixia; Lv, Caixia; Wang, Guo; Feng, Lei; Stavropoulos, Pericles; Gao, Guangpeng; Ai, Lin; Zhang, Jiaxin","Discrimination of Enantiomers of Dipeptide Derivatives with Two Chiral Centers by Tetraaza Macrocyclic Chiral Solvating Agents Using <sup>1</sup>H NMR Spectroscopy.","Organic chemistry frontiers : an international journal of organic chemistry","2016","3","12","1716","1724","10.1039/C6QO00521G","","","0.71073","MoKα","","0.0858","0.0668","","","0.1739","0.1865","","","","","","1.011","","","","has coordinates,has disorder","235132","2020-10-21","18:00:00",""
"4036723","13.811","0.003","13.811","0.003","20.076","0.004","90","","90","","90","","3829.4","1.4","100","2","100","2","","","","","","","","7","P 43","P 4cw","78","","","","- C37 H36 Br2 Cl3 D N4 O4 -","- C37 H36 Br2 Cl3 D N4 O4 -","- C148 H144 Br8 Cl12 D4 N16 O16 -","4","1","","Fang, Lixia; Lv, Caixia; Wang, Guo; Feng, Lei; Stavropoulos, Pericles; Gao, Guangpeng; Ai, Lin; Zhang, Jiaxin","Discrimination of Enantiomers of Dipeptide Derivatives with Two Chiral Centers by Tetraaza Macrocyclic Chiral Solvating Agents Using <sup>1</sup>H NMR Spectroscopy.","Organic chemistry frontiers : an international journal of organic chemistry","2016","3","12","1716","1724","10.1039/C6QO00521G","","","0.71073","MoKα","","0.0397","0.0317","","","0.0679","0.0706","","","","","","1.027","","","","has coordinates","235132","2020-10-21","18:00:00",""
"4036724","7.083","0.0007","11.3665","0.0014","12.0396","0.0015","90","","90","","90","","969.3","0.19","300","2","300","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C7 H14 N6 -","- C7 H14 N6 -","- C28 H56 N24 -","4","1","","List, Manuela; Puchinger, Helmut; Gabriel, Herbert; Monkowius, Uwe; Schwarzinger, Clemens","N-Methylmelamines: Synthesis, Characterization, and Physical Properties.","The Journal of organic chemistry","2016","81","10","4066","4075","10.1021/acs.joc.6b00355","","","0.71073","MoKα","","0.0579","0.0429","","","0.1153","0.1247","","","","","","1.051","","","","has coordinates","235133","2020-10-21","18:00:00",""
"4036725","7.4349","0.0013","9.2666","0.0014","12.249","0.002","90","","103.723","0.006","90","","819.8","0.2","205","2","205","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C6 H12 N6 -","- C6 H12 N6 -","- C24 H48 N24 -","4","1","","List, Manuela; Puchinger, Helmut; Gabriel, Herbert; Monkowius, Uwe; Schwarzinger, Clemens","N-Methylmelamines: Synthesis, Characterization, and Physical Properties.","The Journal of organic chemistry","2016","81","10","4066","4075","10.1021/acs.joc.6b00355","","","0.71073","MoKα","","0.0663","0.0468","","","0.1194","0.133","","","","","","1.051","","","","has coordinates","235135","2020-10-21","18:00:00",""
"4036726","15.079","0.005","9.051","0.003","15.77","0.005","90","","90.259","0.004","90","","2152.3","1.2","296","2","293","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C21 H19 F6 O5 P -","- C21 H19 F6 O5 P -","- C84 H76 F24 O20 P4 -","4","1","","Mironov, Vladimir F.; Dimukhametov, Mudaris N.; Efimov, Sergey V.; Aminova, Roza M.; Karataeva, Farida Kh; Krivolapov, Dmitry B.; Mironova, Ekaterina V.; Klochkov, Vladimir V.","Stereoselective PCO/POC-Rearrangement of P-C-Cage Phosphorane in the Reaction of 4,5-Dimethyl-2-(2-oxo-1,2-diphenyl)ethoxy-1,3,2-dioxaphospholane with Hexafluoroacetone.","The Journal of organic chemistry","2016","81","14","5837","5850","10.1021/acs.joc.6b00356","","x-ray","0.71073","MoKα","","0.062","0.0517","","","0.1498","0.1683","","","","","","1.093","","","","has coordinates","235137","2020-10-21","18:00:00",""
"4036727","9.297","0.005","12.571","0.006","15.387","0.007","90","","101.619","0.007","90","","1761.5","1.5","296","2","293","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C18 H19 O5 P -","- C18 H19 O5 P -","- C72 H76 O20 P4 -","4","1","","Mironov, Vladimir F.; Dimukhametov, Mudaris N.; Efimov, Sergey V.; Aminova, Roza M.; Karataeva, Farida Kh; Krivolapov, Dmitry B.; Mironova, Ekaterina V.; Klochkov, Vladimir V.","Stereoselective PCO/POC-Rearrangement of P-C-Cage Phosphorane in the Reaction of 4,5-Dimethyl-2-(2-oxo-1,2-diphenyl)ethoxy-1,3,2-dioxaphospholane with Hexafluoroacetone.","The Journal of organic chemistry","2016","81","14","5837","5850","10.1021/acs.joc.6b00356","","x-ray","0.71073","MoKα","","0.1218","0.0584","","","0.1535","0.188","","","","","","1","","","","has coordinates","235137","2020-10-21","18:00:00",""
"4036728","14.973","0.006","11.931","0.004","13.665","0.005","90","","109.548","0.005","90","","2300.5","1.5","296","2","293","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C21 H23 F6 O6 P -","- C21 H23 F6 O6 P -","- C84 H92 F24 O24 P4 -","4","1","","Mironov, Vladimir F.; Dimukhametov, Mudaris N.; Efimov, Sergey V.; Aminova, Roza M.; Karataeva, Farida Kh; Krivolapov, Dmitry B.; Mironova, Ekaterina V.; Klochkov, Vladimir V.","Stereoselective PCO/POC-Rearrangement of P-C-Cage Phosphorane in the Reaction of 4,5-Dimethyl-2-(2-oxo-1,2-diphenyl)ethoxy-1,3,2-dioxaphospholane with Hexafluoroacetone.","The Journal of organic chemistry","2016","81","14","5837","5850","10.1021/acs.joc.6b00356","","x-ray","0.71073","MoKα","","0.0649","0.0472","","","0.1351","0.1559","","","","","","0.981","","","","has coordinates,has disorder","235137","2020-10-21","18:00:00",""
"4036729","6.964","0.007","11.279","0.012","11.328","0.012","71.02","0.011","82.779","0.012","75.326","0.011","813","1.5","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C17 H12 F6 O2 -","- C17 H12 F6 O2 -","- C34 H24 F12 O4 -","2","1","","Mironov, Vladimir F.; Dimukhametov, Mudaris N.; Efimov, Sergey V.; Aminova, Roza M.; Karataeva, Farida Kh; Krivolapov, Dmitry B.; Mironova, Ekaterina V.; Klochkov, Vladimir V.","Stereoselective PCO/POC-Rearrangement of P-C-Cage Phosphorane in the Reaction of 4,5-Dimethyl-2-(2-oxo-1,2-diphenyl)ethoxy-1,3,2-dioxaphospholane with Hexafluoroacetone.","The Journal of organic chemistry","2016","81","14","5837","5850","10.1021/acs.joc.6b00356","","x-ray","0.71073","MoKα","","0.0953","0.0534","","","0.0938","0.104","","","","","","1.489","","","","has coordinates","235137","2020-10-21","18:00:00",""
"4036730","7.5811","0.0002","11.5805","0.0003","24.0536","0.0009","90","","90","","90","","2111.74","0.11","150","","150","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C25 H29 N O2 -","- C25 H29 N O2 -","- C100 H116 N4 O8 -","4","1","","Buchman, Marek; Csatayová, Kristína; Davies, Stephen G.; Fletcher, Ai M.; Houlsby, Ian T. T.; Roberts, Paul M.; Rowe, Sam M.; Thomson, James E.","Asymmetric Syntheses of (+)-Preussin B, the C(2)-Epimer of (-)-Preussin B, and 3-Deoxy-(+)-preussin B.","The Journal of organic chemistry","2016","81","12","4907","4922","10.1021/acs.joc.6b00362","","","0.71073","MoKα","","0.0577","0.043","","0.0999","0.092","0.0999","","","","","","0.9877","","","","has coordinates","235139","2020-10-21","18:00:00",""
"4036731","16.0224","0.0012","16.2752","0.0014","18.4727","0.0016","78.849","0.003","77.882","0.002","64.901","0.002","4235.3","0.6","113","2","113","2","","","","","","","","4","P -1","-P 1","2","","","","- C55 H49 Cl2 I -","- C55 H49 Cl2 I -","- C220 H196 Cl8 I4 -","4","2","","Hibi, Daijiro; Kitabayashi, Kenichi; Fujita, Kazuya; Takeda, Takashi; Tobe, Yoshito","Diindenopyrenes: Extended 1,6- and 1,8-Pyrenoquinodimethanes with Singlet Diradical Characters.","The Journal of organic chemistry","2016","81","9","3735","3743","10.1021/acs.joc.6b00389","","","0.71075","MoKα","","0.1601","0.0816","","","0.1682","0.2217","","","","","","1.004","","","","has coordinates,has disorder","235141","2020-10-21","18:00:00",""
"4036732","9.5696","0.0007","10.6323","0.0006","26.1335","0.0014","90","","90","","90","","2659","0.3","300.79","0.1","300.79","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C27 H38 Br N O3 -","- C27 H38 Br N O3 -","- C108 H152 Br4 N4 O12 -","4","1","","Zhang, Xiang-Zhi; Deng, Yu-Hua; Yan, Xu; Yu, Ke-Yin; Wang, Fang-Xin; Ma, Xiao-Yan; Fan, Chun-An","Diastereoselective and Enantioselective Synthesis of Unsymmetric β,β-Diaryl-α-Amino Acid Esters via Organocatalytic 1,6-Conjugate Addition of para-Quinone Methides.","The Journal of organic chemistry","2016","81","13","5655","5662","10.1021/acs.joc.6b00390","","x-ray","1.54184","CuKα","","0.0479","0.0419","","","0.1078","0.1173","","","","","","1.09","","","","has coordinates","235143","2020-10-21","18:00:00",""
"4036733","11.6051","0.0005","22.0708","0.001","21.4258","0.0012","90","","90","","90","","5487.9","0.5","193","2","193","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C34 H26 N4 -","- C34 H26 N4 -","- C272 H208 N32 -","8","1","","Nebe, Marco M.; Kucukdisli, Murat; Opatz, Till","3,4-Dihydro-2H-pyrrole-2-carbonitriles: Useful Intermediates in the Synthesis of Fused Pyrroles and 2,2'-Bipyrroles.","The Journal of organic chemistry","2016","81","10","4112","4121","10.1021/acs.joc.6b00393","","","0.71073","MoKα","","0.1126","0.0462","","","0.0927","0.1157","","","","","","0.905","","","","has coordinates","235145","2020-10-21","18:00:00",""
"4036734","7.888","0.004","12.138","0.005","16.364","0.008","90","","90","","90","","1566.8","1.3","105","2","105","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C10 H2 Br4 I2 N2 -","- C10 H2 Br4 I2 N2 -","- C40 H8 Br16 I8 N8 -","4","1","","Mamane, V.; Peluso, P.; Aubert, E.; Cossu, S.; Pale, P.","Chiral Hexahalogenated 4,4'-Bipyridines.","The Journal of organic chemistry","2016","81","11","4576","4587","10.1021/acs.joc.6b00413","","","0.71073","MoKα","","0.033","0.0296","","","0.0679","0.0695","","","","","","1.07","","","","has coordinates","235148","2020-10-21","18:00:00",""
"4036735","7.8","0.003","11.334","0.005","18.031","0.007","90","","90","","90","","1594","1.1","105","2","105","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C10 H2 Br4 I2 N2 -","- C10 H2 Br4 I2 N2 -","- C40 H8 Br16 I8 N8 -","4","1","","Mamane, V.; Peluso, P.; Aubert, E.; Cossu, S.; Pale, P.","Chiral Hexahalogenated 4,4'-Bipyridines.","The Journal of organic chemistry","2016","81","11","4576","4587","10.1021/acs.joc.6b00413","","","0.71073","MoKα","","0.0339","0.0316","","","0.074","0.0756","","","","","","1.096","","","","has coordinates","235150","2020-10-21","18:00:00",""
"4036736","7.997","0.002","11.722","0.002","16.948","0.003","90","","90","","90","","1588.7","0.6","105","2","105","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C10 H2 Br4 I2 N2 -","- C10 H2 Br4 I2 N2 -","- C40 H8 Br16 I8 N8 -","4","1","","Mamane, V.; Peluso, P.; Aubert, E.; Cossu, S.; Pale, P.","Chiral Hexahalogenated 4,4'-Bipyridines.","The Journal of organic chemistry","2016","81","11","4576","4587","10.1021/acs.joc.6b00413","","","0.71073","MoKα","","0.0249","0.0231","","","0.0543","0.0551","","","","","","1.086","","","","has coordinates","235152","2020-10-21","18:00:00",""
"4036737","8.028","0.002","11.128","0.002","18.411","0.004","90","","90","","90","","1644.8","0.6","105","2","105","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C10 H2 Br2 I4 N2 -","- C10 H2 Br2 I4 N2 -","- C40 H8 Br8 I16 N8 -","4","1","","Mamane, V.; Peluso, P.; Aubert, E.; Cossu, S.; Pale, P.","Chiral Hexahalogenated 4,4'-Bipyridines.","The Journal of organic chemistry","2016","81","11","4576","4587","10.1021/acs.joc.6b00413","","","0.71073","MoKα","","0.0201","0.0196","","","0.0469","0.0471","","","","","","1.15","","","","has coordinates","235154","2020-10-21","18:00:00",""
"4036738","7.779","0.004","12.148","0.005","16.057","0.007","90","","90","","90","","1517.4","1.2","105","2","105","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C10 H2 Br2 Cl2 I2 N2 -","- C10 H2 Br2 Cl2 I2 N2 -","- C40 H8 Br8 Cl8 I8 N8 -","4","1","","Mamane, V.; Peluso, P.; Aubert, E.; Cossu, S.; Pale, P.","Chiral Hexahalogenated 4,4'-Bipyridines.","The Journal of organic chemistry","2016","81","11","4576","4587","10.1021/acs.joc.6b00413","","","0.71073","MoKα","","0.0213","0.0197","","","0.0426","0.0431","","","","","","1.069","","","","has coordinates","235156","2020-10-21","18:00:00",""
"4036739","7.985","0.003","11.766","0.004","17.716","0.007","90","","90","","90","","1664.4","1.1","105","2","105","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C10 H2 Br2 I4 N2 -","- C10 H2 Br2 I4 N2 -","- C40 H8 Br8 I16 N8 -","4","1","","Mamane, V.; Peluso, P.; Aubert, E.; Cossu, S.; Pale, P.","Chiral Hexahalogenated 4,4'-Bipyridines.","The Journal of organic chemistry","2016","81","11","4576","4587","10.1021/acs.joc.6b00413","","","0.71073","MoKα","","0.0291","0.0287","","","0.0753","0.0755","","","","","","1.105","","","","has coordinates","235158","2020-10-21","18:00:00",""
"4036740","7.957","0.003","10.91","0.004","18.607","0.007","90","","90","","90","","1615.3","1","105","2","105","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C10 H2 Cl2 I4 N2 -","- C10 H2 Cl2 I4 N2 -","- C40 H8 Cl8 I16 N8 -","4","1","","Mamane, V.; Peluso, P.; Aubert, E.; Cossu, S.; Pale, P.","Chiral Hexahalogenated 4,4'-Bipyridines.","The Journal of organic chemistry","2016","81","11","4576","4587","10.1021/acs.joc.6b00413","","","0.71073","MoKα","","0.0167","0.0163","","","0.0389","0.0393","","","","","","1.122","","","","has coordinates","235159","2020-10-21","18:00:00",""
"4036741","8.219","0.003","11.493","0.005","18.059","0.007","90","","90","","90","","1705.9","1.2","102","2","102","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C10 H2 I6 N2 -","- C10 H2 I6 N2 -","- C40 H8 I24 N8 -","4","1","","Mamane, V.; Peluso, P.; Aubert, E.; Cossu, S.; Pale, P.","Chiral Hexahalogenated 4,4'-Bipyridines.","The Journal of organic chemistry","2016","81","11","4576","4587","10.1021/acs.joc.6b00413","","","0.71073","MoKα","","0.0204","0.02","","","0.0486","0.0488","","","","","","1.22","","","","has coordinates","235161","2020-10-21","18:00:00",""
"4036742","7.6444","0.0001","11.7708","0.0002","16.6604","0.0003","90","","90","","90","","1499.11","0.04","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C10 H2 Br6 N2 -","- C10 H2 Br6 N2 -","- C40 H8 Br24 N8 -","4","1","","Mamane, V.; Peluso, P.; Aubert, E.; Cossu, S.; Pale, P.","Chiral Hexahalogenated 4,4'-Bipyridines.","The Journal of organic chemistry","2016","81","11","4576","4587","10.1021/acs.joc.6b00413","","","1.54184","CuKα","","0.029","0.0287","","","0.0754","0.0754","","","","","","1.159","","","","has coordinates","235163","2020-10-21","18:00:00",""
"4036743","7.906","0.003","11.78","0.005","17.605","0.007","90","","90","","90","","1639.6","1.1","105","2","105","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C10 H2 Cl2 I4 N2 -","- C10 H2 Cl2 I4 N2 -","- C40 H8 Cl8 I16 N8 -","4","1","","Mamane, V.; Peluso, P.; Aubert, E.; Cossu, S.; Pale, P.","Chiral Hexahalogenated 4,4'-Bipyridines.","The Journal of organic chemistry","2016","81","11","4576","4587","10.1021/acs.joc.6b00413","","","0.71073","MoKα","","0.022","0.0217","","","0.0519","0.052","","","","","","1.187","","","","has coordinates","235165","2020-10-21","18:00:00",""
"4036744","7.659","0.004","11.921","0.006","15.999","0.011","90","","90","","90","","1460.8","1.5","110","2","110","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C10 H2 Br4 Cl2 N2 -","- C10 H2 Br4 Cl2 N2 -","- C40 H8 Br16 Cl8 N8 -","4","1","","Mamane, V.; Peluso, P.; Aubert, E.; Cossu, S.; Pale, P.","Chiral Hexahalogenated 4,4'-Bipyridines.","The Journal of organic chemistry","2016","81","11","4576","4587","10.1021/acs.joc.6b00413","","","0.71073","MoKα","","0.0265","0.0236","","","0.0521","0.0532","","","","","","1.042","","","","has coordinates","235167","2020-10-21","18:00:00",""
"4036745","8.034","0.002","11.838","0.002","16.278","0.003","90","","90","","90","","1548.1","0.5","102","2","102","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C10 H2 Br2 Cl2 I2 N2 -","- C10 H2 Br2 Cl2 I2 N2 -","- C40 H8 Br8 Cl8 I8 N8 -","4","1","","Mamane, V.; Peluso, P.; Aubert, E.; Cossu, S.; Pale, P.","Chiral Hexahalogenated 4,4'-Bipyridines.","The Journal of organic chemistry","2016","81","11","4576","4587","10.1021/acs.joc.6b00413","","","0.71073","MoKα","","0.0163","0.0152","","","0.0331","0.0333","","","","","","1.081","","","","has coordinates","235168","2020-10-21","18:00:00",""
"4036746","8.177","0.006","12.152","0.008","16.434","0.01","90","","90","","90","","1633","1.9","105","2","105","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C10 H2 Br2 I4 N2 -","- C10 H2 Br2 I4 N2 -","- C40 H8 Br8 I16 N8 -","4","1","","Mamane, V.; Peluso, P.; Aubert, E.; Cossu, S.; Pale, P.","Chiral Hexahalogenated 4,4'-Bipyridines.","The Journal of organic chemistry","2016","81","11","4576","4587","10.1021/acs.joc.6b00413","","","0.71073","MoKα","","0.0213","0.0191","","","0.0382","0.0389","","","","","","1.082","","","","has coordinates","235170","2020-10-21","18:00:00",""
"4036747","7.913","0.005","11.911","0.009","15.781","0.012","90","","90","","90","","1487.4","1.9","105","2","105","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C10 H2 Br2 Cl2 I2 N2 -","- C10 H2 Br2 Cl2 I2 N2 -","- C40 H8 Br8 Cl8 I8 N8 -","4","1","","Mamane, V.; Peluso, P.; Aubert, E.; Cossu, S.; Pale, P.","Chiral Hexahalogenated 4,4'-Bipyridines.","The Journal of organic chemistry","2016","81","11","4576","4587","10.1021/acs.joc.6b00413","","","0.71073","MoKα","","0.0271","0.0243","","","0.0515","0.0523","","","","","","1.041","","","","has coordinates","235171","2020-10-21","18:00:00",""
"4036748","34.888","0.004","4.8922","0.0005","17.4916","0.0017","90","","110.613","0.001","90","","2794.3","0.5","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C17 H12 B F2 N3 -","- C17 H12 B F2 N3 -","- C136 H96 B8 F16 N24 -","8","1","","Yu, Changjiang; Wu, Qinghua; Wang, Jun; Wei, Yun; Hao, Erhong; Jiao, Lijuan","Red to Near-Infrared Isoindole BODIPY Fluorophores: Synthesis, Crystal Structures, and Spectroscopic and Electrochemical Properties.","The Journal of organic chemistry","2016","81","9","3761","3770","10.1021/acs.joc.6b00414","","","0.71073","MoKα","","0.0506","0.0367","","","0.0889","0.0985","","","","","","1.016","","","","has coordinates","235173","2020-10-21","18:00:00",""
"4036749","7.6921","0.0008","11.1753","0.0019","11.9129","0.0012","109.312","0.001","108.557","0.001","100.366","0.002","868.39","0.19","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H18 B F2 N3 -","- C20 H18 B F2 N3 -","- C40 H36 B2 F4 N6 -","2","1","","Yu, Changjiang; Wu, Qinghua; Wang, Jun; Wei, Yun; Hao, Erhong; Jiao, Lijuan","Red to Near-Infrared Isoindole BODIPY Fluorophores: Synthesis, Crystal Structures, and Spectroscopic and Electrochemical Properties.","The Journal of organic chemistry","2016","81","9","3761","3770","10.1021/acs.joc.6b00414","","","0.71073","MoKα","","0.0587","0.0466","","","0.1229","0.1331","","","","","","1.023","","","","has coordinates","235175","2020-10-21","18:00:00",""
"4036750","13.041","0.002","20.065","0.004","7.4322","0.0013","90","","105.281","0.002","90","","1876","0.6","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H22 B F2 N3 -","- C22 H22 B F2 N3 -","- C88 H88 B4 F8 N12 -","4","1","","Yu, Changjiang; Wu, Qinghua; Wang, Jun; Wei, Yun; Hao, Erhong; Jiao, Lijuan","Red to Near-Infrared Isoindole BODIPY Fluorophores: Synthesis, Crystal Structures, and Spectroscopic and Electrochemical Properties.","The Journal of organic chemistry","2016","81","9","3761","3770","10.1021/acs.joc.6b00414","","","0.71073","MoKα","","0.1062","0.0507","","","0.1145","0.1414","","","","","","0.996","","","","has coordinates","235176","2020-10-21","18:00:00",""
"4036751","10.496","0.002","11.1292","0.0011","11.1886","0.0012","117.414","0.001","99.163","0.002","93.096","0.001","1133.2","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H30 B F2 N3 -","- C26 H30 B F2 N3 -","- C52 H60 B2 F4 N6 -","2","1","","Yu, Changjiang; Wu, Qinghua; Wang, Jun; Wei, Yun; Hao, Erhong; Jiao, Lijuan","Red to Near-Infrared Isoindole BODIPY Fluorophores: Synthesis, Crystal Structures, and Spectroscopic and Electrochemical Properties.","The Journal of organic chemistry","2016","81","9","3761","3770","10.1021/acs.joc.6b00414","","","0.71073","MoKα","","0.0756","0.0645","","","0.2303","0.2534","","","","","","0.98","","","","has coordinates","235178","2020-10-21","18:00:00",""
"4036752","8.767","0.003","10.13","0.004","10.958","0.004","113.466","0.004","90.443","0.004","102.176","0.004","868","0.6","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H18 B F2 N3 -","- C20 H18 B F2 N3 -","- C40 H36 B2 F4 N6 -","2","1","","Yu, Changjiang; Wu, Qinghua; Wang, Jun; Wei, Yun; Hao, Erhong; Jiao, Lijuan","Red to Near-Infrared Isoindole BODIPY Fluorophores: Synthesis, Crystal Structures, and Spectroscopic and Electrochemical Properties.","The Journal of organic chemistry","2016","81","9","3761","3770","10.1021/acs.joc.6b00414","","","0.71073","MoKα","","0.069","0.0513","","","0.1338","0.1481","","","","","","1.035","","","","has coordinates","235180","2020-10-21","18:00:00",""
"4036753","7.202","0.0015","11.602","0.002","12.935","0.003","69.074","0.002","76.029","0.003","81.505","0.003","977.4","0.3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C23 H18 B F2 N3 O -","- C23 H20 B F2 N3 O -","- C46 H40 B2 F4 N6 O2 -","2","1","","Yu, Changjiang; Wu, Qinghua; Wang, Jun; Wei, Yun; Hao, Erhong; Jiao, Lijuan","Red to Near-Infrared Isoindole BODIPY Fluorophores: Synthesis, Crystal Structures, and Spectroscopic and Electrochemical Properties.","The Journal of organic chemistry","2016","81","9","3761","3770","10.1021/acs.joc.6b00414","","","0.71073","MoKα","","0.105","0.0553","","","0.139","0.1683","","","","","","0.994","","","","has coordinates","235181","2020-10-21","18:00:00",""
"4036754","7.4969","0.0009","9.2933","0.0011","15.1595","0.0017","97.635","0.001","102.255","0.001","106.779","0.001","966.7","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H20 B F2 N3 -","- C24 H20 B F2 N3 -","- C48 H40 B2 F4 N6 -","2","1","","Yu, Changjiang; Wu, Qinghua; Wang, Jun; Wei, Yun; Hao, Erhong; Jiao, Lijuan","Red to Near-Infrared Isoindole BODIPY Fluorophores: Synthesis, Crystal Structures, and Spectroscopic and Electrochemical Properties.","The Journal of organic chemistry","2016","81","9","3761","3770","10.1021/acs.joc.6b00414","","","0.71073","MoKα","","0.0703","0.044","","","0.1011","0.1146","","","","","","1.008","","","","has coordinates","235182","2020-10-21","18:00:00",""
"4036755","8.5259","0.0013","9.9712","0.0016","10.9526","0.0017","115.832","0.002","93.243","0.002","103.522","0.002","801.4","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C19 H16 B F2 N3 -","- C19 H16 B F2 N3 -","- C38 H32 B2 F4 N6 -","2","1","","Yu, Changjiang; Wu, Qinghua; Wang, Jun; Wei, Yun; Hao, Erhong; Jiao, Lijuan","Red to Near-Infrared Isoindole BODIPY Fluorophores: Synthesis, Crystal Structures, and Spectroscopic and Electrochemical Properties.","The Journal of organic chemistry","2016","81","9","3761","3770","10.1021/acs.joc.6b00414","","","0.71073","MoKα","","0.0503","0.0429","","","0.1195","0.1262","","","","","","1.009","","","","has coordinates","235184","2020-10-21","18:00:00",""
"4036756","7.4751","0.0009","11.1726","0.0014","13.0125","0.0016","67.781","0.001","85.089","0.002","87.239","0.002","1002.2","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C23 H24 B F2 N3 -","- C23 H24 B F2 N3 -","- C46 H48 B2 F4 N6 -","2","1","","Yu, Changjiang; Wu, Qinghua; Wang, Jun; Wei, Yun; Hao, Erhong; Jiao, Lijuan","Red to Near-Infrared Isoindole BODIPY Fluorophores: Synthesis, Crystal Structures, and Spectroscopic and Electrochemical Properties.","The Journal of organic chemistry","2016","81","9","3761","3770","10.1021/acs.joc.6b00414","","","0.71073","MoKα","","0.0753","0.0488","","","0.1339","0.1488","","","","","","1.067","","","","has coordinates","235185","2020-10-21","18:00:00",""
"4036757","8.4882","0.0002","10.2664","0.0002","15.0606","0.0002","90","","90","","90","","1312.43","0.04","100","1","100","1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C15 H20 O3 -","- C15 H20 O3 -","- C60 H80 O12 -","4","1","","Masnyk, Marek; Butkiewicz, Aleksandra; Górecki, Marcin; Luboradzki, Roman; Bannwarth, Christoph; Grimme, Stefan; Frelek, Jadwiga","Synthesis and Comprehensive Structural and Chiroptical Characterization of Enones Derived from (-)-α-Santonin by Experiment and Theory.","The Journal of organic chemistry","2016","81","11","4588","4600","10.1021/acs.joc.6b00416","","","1.54184","CuKα","","0.0298","0.029","","","0.0781","0.0791","","","","","","1.084","","","","has coordinates","258458","2020-10-21","18:00:00",""
"4036758","8.5748","0.0003","10.793","0.0005","28.438","0.001","90","","90","","90","","2631.87","0.18","100","1","100","1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C15 H20 O3 -","- C15 H20 O3 -","- C120 H160 O24 -","8","2","","Masnyk, Marek; Butkiewicz, Aleksandra; Górecki, Marcin; Luboradzki, Roman; Bannwarth, Christoph; Grimme, Stefan; Frelek, Jadwiga","Synthesis and Comprehensive Structural and Chiroptical Characterization of Enones Derived from (-)-α-Santonin by Experiment and Theory.","The Journal of organic chemistry","2016","81","11","4588","4600","10.1021/acs.joc.6b00416","","","1.54184","CuKα","","0.047","0.0449","","","0.1271","0.1281","","","","","","1.165","","","","has coordinates","255262","2020-10-21","18:00:00",""
"4036759","6.948","0.0001","18.3628","0.0003","7.7302","0.0001","90","","105.05","0.002","90","","952.43","0.03","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C20 H32 O4 -","- C20 H32 O4 -","- C40 H64 O8 -","2","1","","Masnyk, Marek; Butkiewicz, Aleksandra; Górecki, Marcin; Luboradzki, Roman; Bannwarth, Christoph; Grimme, Stefan; Frelek, Jadwiga","Synthesis and Comprehensive Structural and Chiroptical Characterization of Enones Derived from (-)-α-Santonin by Experiment and Theory.","The Journal of organic chemistry","2016","81","11","4588","4600","10.1021/acs.joc.6b00416","","","1.54184","CuKα","","0.0279","0.0278","","","0.0724","0.0725","","","","","","1.054","","","","has coordinates","258458","2020-10-21","18:00:00",""
"4036760","6.0837","0.0002","14.3011","0.0004","30.2301","0.0012","90","","90","","90","","2630.13","0.15","100","1","100","1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C15 H20 O3 -","- C15 H20 O3 -","- C120 H160 O24 -","8","2","","Masnyk, Marek; Butkiewicz, Aleksandra; Górecki, Marcin; Luboradzki, Roman; Bannwarth, Christoph; Grimme, Stefan; Frelek, Jadwiga","Synthesis and Comprehensive Structural and Chiroptical Characterization of Enones Derived from (-)-α-Santonin by Experiment and Theory.","The Journal of organic chemistry","2016","81","11","4588","4600","10.1021/acs.joc.6b00416","","","1.54184","CuKα","","0.0401","0.0371","","","0.0935","0.0958","","","","","","1.04","","","","has coordinates","255262","2020-10-21","18:00:00",""
"4036761","5.8785","0.0002","14.9793","0.0004","24.3269","0.0008","90","","90","","90","","2142.13","0.12","296","2","296","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C22 H34 O5 -","- C22 H34 O5 -","- C88 H136 O20 -","4","1","","Masnyk, Marek; Butkiewicz, Aleksandra; Górecki, Marcin; Luboradzki, Roman; Bannwarth, Christoph; Grimme, Stefan; Frelek, Jadwiga","Synthesis and Comprehensive Structural and Chiroptical Characterization of Enones Derived from (-)-α-Santonin by Experiment and Theory.","The Journal of organic chemistry","2016","81","11","4588","4600","10.1021/acs.joc.6b00416","","","1.54178","CuKα","","0.0532","0.0436","","","0.1147","0.1223","","","","","","1.046","","","","has coordinates","235196","2020-10-21","18:00:00",""
"4036762","10.5693","0.0007","10.696","0.0004","19.722","0.0012","90","","131.354","0.01","90","","1673.6","0.3","100.01","0.1","100.01","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H20 Br F3 -","- C19 H20 Br F3 -","- C76 H80 Br4 F12 -","4","1","","Sandzhieva, Maria A.; Kazakova, Anna N.; Boyarskaya, Irina A.; Ivanov, Alexandr Yu; Nenajdenko, Valentine G.; Vasilyev, Aleksander V.","Friedel-Crafts Alkylation of Arenes with 2-Halogeno-2-CF3-styrenes under Superacidic Conditions. Access to Trifluoromethylated Ethanes and Ethenes.","The Journal of organic chemistry","2016","81","12","5032","5045","10.1021/acs.joc.6b00419","","x-ray","1.54184","CuKα","","0.0423","0.034","","","0.0829","0.0895","","","","","","1.029","","","","has coordinates,has disorder","235198","2020-10-21","18:00:00",""
"4036763","17.0506","0.0013","22.1823","0.0017","24.7831","0.0019","90","","90","","90","","9373.5","1.2","100","2","100","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","4CMeCz","","","- C66 H52 N4 -","- C66 H52 N4 -","- C528 H416 N32 -","8","1","","Kuroda, Yasuhiro; Sakamoto, Youichi; Suzuki, Toshiyasu; Kayahara, Eiichi; Yamago, Shigeru","Tetracyclo(2,7-carbazole)s: Diatropicity and Paratropicity of Inner Regions of Nanohoops.","The Journal of organic chemistry","2016","81","8","3356","3363","10.1021/acs.joc.6b00425","","","0.7","synchrotron","","0.1914","0.1646","","","0.4331","0.447","","","","","","3.14","","","","has coordinates","235200","2020-10-21","18:00:00",""
"4036764","10.5666","0.0003","7.77628","0.00017","11.6785","0.0003","90","","109.491","0.003","90","","904.62","0.04","174","2","174","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C19 H16 Br2 N2 O2 -","- C19 H16 Br2 N2 O2 -","- C38 H32 Br4 N4 O4 -","2","1","","Ding, Zong-Cang; Ju, Lu-Chuan; Yang, Ying; An, Xiao-Ming; Zhou, Yun-Bing; Li, Ren-Hao; Tang, Hai-Tao; Ding, Cheng-Ke; Zhan, Zhuang-Ping","Silver(I)-Catalyzed Tandem Sigamatropic Rearrangement/1,3-H Shift/6π Aza-electrocyclization of N-Propargylic Hydrazones: A Mild Synthetic Route to 1,6-Dihydropyridazines.","The Journal of organic chemistry","2016","81","9","3936","3941","10.1021/acs.joc.6b00428","","","1.54184","CuKα","","0.0242","0.0241","","","0.0649","0.0649","","","","","","1.098","","","","has coordinates","235202","2020-10-21","18:00:00",""
"4036765","5.5202","0.0002","13.6425","0.0005","20.1076","0.0009","107.956","0.004","91.404","0.004","90.12","0.003","1440.03","0.1","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C17 H13 Br O2 -","- C17 H13 Br O2 -","- C68 H52 Br4 O8 -","4","2","","Feng, Liyan; Yan, Hang; Yang, Chao; Chen, Dafa; Xia, Wujiong","Visible-Light Induced Direct Synthesis of Polysubstituted Furans from Cyclopropyl Ketones.","The Journal of organic chemistry","2016","81","16","7008","7022","10.1021/acs.joc.6b00436","","x-ray","0.71073","MoKα","","0.0874","0.0669","","","0.168","0.1843","","","","","","1.078","","","","has coordinates","235204","2020-10-21","18:00:00",""
"4036766","11.0527","0.0015","11.0527","0.0015","18.729","0.003","90","","90","","120","","1981.4","0.5","273","2","273","2","","","","","","","","4","P 3","P 3","143","","","","- C21.67 H36 Ho0 O17.67 -","- C21.6667 H36 O17.6667 -","- C65 H108 O53 -","3","1","","Maiti, Krishnagopal; Jayaraman, Narayanaswamy","Synthesis and Structure of Cyclic Trisaccharide with Expanded Glycosidic Linkages.","The Journal of organic chemistry","2016","81","11","4616","4622","10.1021/acs.joc.6b00462","","","0.71073","MoKα","","0.1307","0.1054","","","0.2822","0.301","","","","","","1.045","","","","has coordinates","235206","2020-10-21","18:00:00",""
"4036767","9.1134","0.0011","13.83","0.002","16.661","0.002","89.312","0.005","75.124","0.005","87.829","0.006","2028.1","0.5","173.15","","173.15","","","","","","","","","4","P -1","-P 1","2","","","","- C56 H36 N2 O4 -","- C56 H36 N2 O4 -","- C112 H72 N4 O8 -","2","1","","Wang, Guangxia; Xiao, Hongmei; He, Jiaojiao; Xiang, Junfeng; Wang, Ying; Chen, Xuebo; Che, Yanke; Jiang, Hua","Molecular Turnstiles Regulated by Metal Ions.","The Journal of organic chemistry","2016","81","8","3364","3371","10.1021/acs.joc.6b00463","","","0.71073","MoKα","","0.0595","0.0544","","","0.1311","0.1349","","","","","","1.11","","","","has coordinates,has disorder","235208","2020-10-21","18:00:00",""
"4036768","11.094","0.002","13.316","0.003","31.782","0.006","90","","94.03","0.03","90","","4683.5","1.6","120","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C51 H50 F12 N6 P2 -","- C51 H50 F12 N6 P2 -","- C204 H200 F48 N24 P8 -","4","1","","Sabater, Paula; Zapata, Fabiola; Caballero, Antonio; Fernández, Israel; Ramirez de Arellano, Carmen; Molina, Pedro","2,4,5-Trimethylimidazolium Scaffold for Anion Recognition Receptors Acting Through Charge-Assisted Aliphatic and Aromatic C-H Interactions.","The Journal of organic chemistry","2016","81","9","3790","3798","10.1021/acs.joc.6b00468","","","0.71073","MoKα","","0.1805","0.0674","","","0.1687","0.226","","","","","","0.941","","","","has coordinates","235210","2020-10-21","18:00:00",""
"4036769","13.361","0.008","11.884","0.009","8.306","0.007","90","","90.21","0.015","90","","1318.8","1.7","93","","93","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C13 H15 Cl N2 O3 -","- C13 H15 Cl N2 O3 -","- C52 H60 Cl4 N8 O12 -","4","1","","Yamada, Ken-Ichi; Matsumoto, Yusuke; Fujii, Shintaro; Konishi, Takehito; Yamaoka, Yousuke; Takasu, Kiyosei","Striking Difference between Succinimidomethyl and Phthalimidomethyl Radicals in Conjugate Addition to Alkylidenemalonate Initiated by Dimethylzinc.","The Journal of organic chemistry","2016","81","9","3809","3817","10.1021/acs.joc.6b00485","","","1.54187","CuKα","","0.0365","0.0345","","","0.0898","0.0936","","","","","","1.111","","","","has coordinates","235212","2020-10-21","18:00:00",""
"4036770","5.88884","0.00012","12.3215","0.0003","22.2795","0.0005","90","","90","","90","","1616.59","0.06","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H22 O4 S -","- C16 H22 O4 S -","- C64 H88 O16 S4 -","4","1","","Malassis, Julien; Bartlett, Nathan; Hands, Kane; Selby, Matthew D.; Linclau, Bruno","Total Synthesis of (-)-Luminacin D.","The Journal of organic chemistry","2016","81","9","3818","3837","10.1021/acs.joc.6b00489","","x-ray","0.71073","MoKα","","0.037","0.0312","","","0.073","0.0755","","","","","","1.066","","","","has coordinates","235214","2020-10-21","18:00:00",""
"4036771","6.0963","0.0003","8.7014","0.0008","8.705","0.0008","66.516","0.009","73.36","0.006","87.831","0.006","404.25","0.07","100","2","100","2","","","","","","","","4","P 1","P 1","1","","","","- C13 H25 Br O4 -","- C13 H25 Br O4 -","- C13 H25 Br O4 -","1","1","","Malassis, Julien; Bartlett, Nathan; Hands, Kane; Selby, Matthew D.; Linclau, Bruno","Total Synthesis of (-)-Luminacin D.","The Journal of organic chemistry","2016","81","9","3818","3837","10.1021/acs.joc.6b00489","","x-ray","0.71073","MoKα","","0.0619","0.0486","","","0.1152","0.122","","","","","","0.982","","","","has coordinates","235214","2020-10-21","18:00:00",""
"4036772","8.8263","0.00017","15.6858","0.0003","11.5156","0.0002","90","","106.331","0.002","90","","1529.98","0.05","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C15 H20 O4 S -","- C15 H20 O4 S -","- C60 H80 O16 S4 -","4","1","","Malassis, Julien; Bartlett, Nathan; Hands, Kane; Selby, Matthew D.; Linclau, Bruno","Total Synthesis of (-)-Luminacin D.","The Journal of organic chemistry","2016","81","9","3818","3837","10.1021/acs.joc.6b00489","","x-ray","0.71073","MoKα","","0.0372","0.0315","","","0.0799","0.0835","","","","","","1.04","","","","has coordinates","235214","2020-10-21","18:00:00",""
"4036773","12.5451","0.0007","29.7417","0.0018","8.8141","0.0005","90","","90","","90","","3288.7","0.3","150","2","150","2","","","","","","","","4","P n m a","-P 2ac 2n","62","Compound 10","7,14-diphenylnaphtho[2,3-k]fluoranthene-8,13-dione bis(chloroform) solvate","","- C38 H22 Cl6 O2 -","- C38 H22 Cl6 O2 -","- C152 H88 Cl24 O8 -","4","0.5","","Geng, Xin; Mague, Joel T.; Donahue, James P.; Pascal, Jr, Robert A","Hairpin Furans and Giant Biaryls.","The Journal of organic chemistry","2016","81","9","3838","3847","10.1021/acs.joc.6b00492","","","0.71073","MoKα","","0.0604","0.0482","","","0.1242","0.1326","","","","","","1.093","","","","has coordinates","235217","2020-10-21","18:00:00",""
"4036774","18.3157","0.001","18.8183","0.001","21.1243","0.0012","87.961","0.0007","69.621","0.0007","68.683","0.0007","6323.6","0.6","150","2","150","2","","","","","","","","4","P -1","-P 1","2","Compound 13","9,9'-bis(7,14-diphenylnaphtho[2,3-k]fluoranthene-8,13-dione) bis(chloroform) solvate","","- C74 H40 Cl6 O4 -","- C74 H40 Cl6 O4 -","- C296 H160 Cl24 O16 -","4","2","","Geng, Xin; Mague, Joel T.; Donahue, James P.; Pascal, Jr, Robert A","Hairpin Furans and Giant Biaryls.","The Journal of organic chemistry","2016","81","9","3838","3847","10.1021/acs.joc.6b00492","","","0.71073","MoKα","","0.1285","0.0689","","","0.1813","0.2191","","","","","","1.036","","","","has coordinates","235217","2020-10-21","18:00:00",""
"4036775","17.3959","0.0013","20.6614","0.0015","20.8647","0.0016","90","","110.422","0.001","90","","7027.9","0.9","150","2","150","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","Compound 21","9,9'-bis(7,14-diphenyl-10-methoxynaphtho[2,3-k]fluoranthene-8,13-dione) tetra(benzene) solvate","","- C98 H66 O6 -","- C98 H66 O6 -","- C392 H264 O24 -","4","1","","Geng, Xin; Mague, Joel T.; Donahue, James P.; Pascal, Jr, Robert A","Hairpin Furans and Giant Biaryls.","The Journal of organic chemistry","2016","81","9","3838","3847","10.1021/acs.joc.6b00492","","","0.71073","MoKα","","0.2008","0.0872","","","0.179","0.2425","","","","","","1.018","","","","has coordinates,has disorder","288542","2023-12-24","01:25:18",""
"4036776","13.7401","0.001","15.1398","0.001","15.943","0.0011","83.378","0.0009","82.646","0.001","70.891","0.0009","3098.4","0.4","150","2","150","2","","","","","","","","3","P -1","-P 1","2","Compound 19","12,12'-epoxy-11,11'-bis(9,16-diphenylnaphtho[2,3-b]triphenylene-10,15- dione) di(toluene) solvate","","- C90 H56 O5 -","- C90 H56 O5 -","- C180 H112 O10 -","2","1","","Geng, Xin; Mague, Joel T.; Donahue, James P.; Pascal, Jr, Robert A","Hairpin Furans and Giant Biaryls.","The Journal of organic chemistry","2016","81","9","3838","3847","10.1021/acs.joc.6b00492","","","0.71073","MoKα","","0.093","0.0576","","","0.1369","0.1589","","","","","","1.023","","","","has coordinates","235217","2020-10-21","18:00:00",""
"4036777","10.679","0.0005","11.214","0.0004","21.5647","0.0009","76.755","0.003","82.687","0.003","69.701","0.003","2354.42","0.18","150","2","150","2","","","","","","","","3","P -1","-P 1","2","Compound 23","10,11'-epoxy-9,10'-bis(7,14-diphenylnaphtho[2,3-k]fluoranthene)","","- C72 H40 O -","- C72 H40 O -","- C144 H80 O2 -","2","1","","Geng, Xin; Mague, Joel T.; Donahue, James P.; Pascal, Jr, Robert A","Hairpin Furans and Giant Biaryls.","The Journal of organic chemistry","2016","81","9","3838","3847","10.1021/acs.joc.6b00492","","","1.54178","CuKα","","0.1952","0.1219","","","0.2085","0.2332","","","","","","1.071","","","","has coordinates","235217","2020-10-21","18:00:00",""
"4036778","5.799","0.001","8.02","0.001","11.532","0.001","84.05","0.01","77.38","0.01","70.7","0.01","493.67","0.12","123","2","123","2","","","","","","","","4","P -1","-P 1","2","","6-ethyl-5-hydroxy-1,3,5-trimethyl-dihydropyridine-2,4(1H,3H)-dione","","- C9 H16 N2 O3 -","- C9 H16 N2 O3 -","- C18 H32 N4 O6 -","2","1","","Wrigstedt, Pauli; Kavakka, Jari; Heikkinen, Sami; Nieger, Martin; Räisänen, Minna; Repo, Timo","The Reactivity of Thymine and Thymidine 5,6-Epoxides with Organometallic Reagents - A Route to Thymidine (6-4) Photoproduct Analogues.","The Journal of organic chemistry","2016","81","9","3848","3859","10.1021/acs.joc.6b00495","","","0.71073","MoKα","","0.0445","0.0374","","","0.0971","0.102","","","","","","1.048","","","","has coordinates","235219","2020-10-21","18:00:00",""
"4036779","9.4062","0.0004","11.7763","0.0015","11.803","0.0014","74.743","0.01","79.948","0.006","80.083","0.006","1231","0.2","123","2","123","2","","","","","","","","4","P -1","-P 1","2","","(5RS,6SR)-5-hydroxy-1,3,5-trimethyldihydropyrimidine- 2,4(1H,3H)-dione","","- C13 H16 N2 O3 -","- C13 H16 N2 O3 -","- C52 H64 N8 O12 -","4","2","","Wrigstedt, Pauli; Kavakka, Jari; Heikkinen, Sami; Nieger, Martin; Räisänen, Minna; Repo, Timo","The Reactivity of Thymine and Thymidine 5,6-Epoxides with Organometallic Reagents - A Route to Thymidine (6-4) Photoproduct Analogues.","The Journal of organic chemistry","2016","81","9","3848","3859","10.1021/acs.joc.6b00495","","","0.71073","MoKα","","0.0442","0.0373","","","0.0932","0.098","","","","","","1.045","","","","has coordinates","235219","2020-10-21","18:00:00",""
"4036780","8.21605","0.00005","15.48832","0.00009","26.12024","0.00014","90","","90","","90","","3323.87","0.03","120","2","120","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(5R,6S)-1-((2R,4S,5S)-4-((tert.-butyldimethylsilyl)oxy)methyl)- tetrahydrofuran-2-yl)-5-hydroxy-3,5-dimethyl-6-phenyldihydro- pyrimidine-2,4(1H,3H)-dione","","- C29 H50 N2 O6 Si2 -","- C29 H50 N2 O6 Si2 -","- C116 H200 N8 O24 Si8 -","4","1","","Wrigstedt, Pauli; Kavakka, Jari; Heikkinen, Sami; Nieger, Martin; Räisänen, Minna; Repo, Timo","The Reactivity of Thymine and Thymidine 5,6-Epoxides with Organometallic Reagents - A Route to Thymidine (6-4) Photoproduct Analogues.","The Journal of organic chemistry","2016","81","9","3848","3859","10.1021/acs.joc.6b00495","","","1.54178","CuKα","","0.0271","0.0267","","","0.0683","0.0686","","","","","","1.061","","","","has coordinates","235219","2020-10-21","18:00:00",""
"4036781","6.3869","0.0002","23.9885","0.0007","41.8744","0.0014","90","","90","","90","","6415.7","0.3","123","2","123","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","1-(4-((tert-butyldimethylsilyl)oxy)-5-(((2-(trimethylsilyl)propan- 2-yl)oxy)methyl)tetrahydrofuran-2-yl)-5-hydroxy-5-methyl- 6-phenyldihydropyrimidine-2,4(1H,3H)-dione","","- C28 H48 N2 O6 Si2 -","- C28 H48 N2 O6 Si2 -","- C224 H384 N16 O48 Si16 -","8","2","","Wrigstedt, Pauli; Kavakka, Jari; Heikkinen, Sami; Nieger, Martin; Räisänen, Minna; Repo, Timo","The Reactivity of Thymine and Thymidine 5,6-Epoxides with Organometallic Reagents - A Route to Thymidine (6-4) Photoproduct Analogues.","The Journal of organic chemistry","2016","81","9","3848","3859","10.1021/acs.joc.6b00495","","","1.54178","CuKα","","0.0891","0.0556","","","0.1117","0.1258","","","","","","1.026","","","","has coordinates","235219","2020-10-21","18:00:00",""
"4036782","12.218","0.015","19.59","0.02","14.05","0.017","90","","108.61","0.03","90","","3187","6","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C27 H31 Br S4 Si3 -","- C27 H31 Br S4 Si3 -","- C108 H124 Br4 S16 Si12 -","4","1","","Zhao, Xueqian; Zhang, Lipeng; Song, Jinsheng; Kan, Yuhe; Wang, Hua","Naphthotetrathiophene-Based Helicene-Like Molecules: Synthesis and Photophysical Properties.","The Journal of organic chemistry","2016","81","11","4856","4860","10.1021/acs.joc.6b00502","","","0.71073","MoKα","","0.1623","0.0633","","","0.15","0.1774","","","","","","1.005","","","","has coordinates","235221","2020-10-21","18:00:00",""
"4036783","10.0635","0.0006","10.0635","","45.865","0.003","90","","90","","120","","4022.6","0.4","150","","150","","","","","","","","synthesis as described","5","P 61","P 61","169","","","","- C18 H42 N4 O5 Si2 -","- C18 H42 N4 O5 Si2 -","- C108 H252 N24 O30 Si12 -","6","1","","Henrion, Sylvain; Carboni, Bertrand; Cossío, Fernando P; Roisnel, Thierry; Villalgordo, Jose M.; Carreaux, François","Stereospecific Synthesis of α-Amino Allylsilane Derivatives through a [3,3]-Allyl Cyanate Rearrangement. Mild Formation of Functionalized Disiloxanes.","The Journal of organic chemistry","2016","81","11","4633","4644","10.1021/acs.joc.6b00505","","x-ray","0.71073","MoKα","","0.1087","0.0962","","","0.2371","0.2429","","","","","","1.124","","","","has coordinates,has disorder","235223","2020-10-21","18:00:00",""
"4036784","10.651","0.002","17.148","0.003","18.327","0.004","90","","90","","90","","3347.3","1.1","150","2","150","2","","","","","","","synthesis as described","5","P 21 21 21","P 2ac 2ab","19","","","","- C24 H48 N4 O6 Si2 -","- C24 H48 N4 O6 Si2 -","- C96 H192 N16 O24 Si8 -","4","1","","Henrion, Sylvain; Carboni, Bertrand; Cossío, Fernando P; Roisnel, Thierry; Villalgordo, Jose M.; Carreaux, François","Stereospecific Synthesis of α-Amino Allylsilane Derivatives through a [3,3]-Allyl Cyanate Rearrangement. Mild Formation of Functionalized Disiloxanes.","The Journal of organic chemistry","2016","81","11","4633","4644","10.1021/acs.joc.6b00505","","x-ray","0.71073","MoKα","","0.1972","0.0716","","","0.1221","0.1672","","","","","","0.913","","","","has coordinates","235225","2020-10-21","18:00:00",""
"4036785","5.7156","0.0003","11.8755","0.0007","18.0555","0.001","90","","92.991","0.003","90","","1223.86","0.12","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C12 H19 N O3 -","- C12 H19 N O3 -","- C48 H76 N4 O12 -","4","1","","Ricard, Simon; Sanapo, Gabriel F.; Rahem, Neel; Daoust, Benoit","Synthesis of γ,δ-Unsaturated α-Aminoaldehydes Using a Copper-Catalyzed Vinylation Reaction Followed by a Claisen Rearrangement.","The Journal of organic chemistry","2016","81","12","5066","5073","10.1021/acs.joc.6b00512","","","1.54178","CuKα","","0.0537","0.0471","","","0.1185","0.1232","","","","","","1.091","","","","has coordinates","235227","2020-10-21","18:00:00",""
"4036786","10.539","0.002","10.686","0.002","15.652","0.003","90","","90","","90","","1762.7","0.6","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C20 H19 N O3 -","- C20 H19 N O3 -","- C80 H76 N4 O12 -","4","1","","Huang, Ya-Nan; Li, Yin-Long; Li, Jian; Deng, Jun","Beyond a Protecting Reagent: DMAP-Catalyzed Cyclization of Boc-Anhydride with 2-Alkenylanilines.","The Journal of organic chemistry","2016","81","11","4645","4653","10.1021/acs.joc.6b00519","","","0.71073","MoKα","","0.0689","0.0464","","","0.1078","0.1161","","","","","","1.025","","","","has coordinates","235229","2020-10-21","18:00:00",""
"4036787","13.9275","0.0004","12.9024","0.0004","19.0049","0.0006","90","","98.603","0.001","90","","3376.72","0.18","100","0.1","100","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C32 H24 Cl6 O8 -","- C32 H24 Cl6 O8 -","- C128 H96 Cl24 O32 -","4","1","","Pal, Bikash; Lin, Bo-Chao; Dela Cerna, Mark Vincent Carreon; Hsu, Chao-Ping; Lin, Chih-Hsiu","Face-to-Face Packing of 2,3,9,10-Tetrasubstituted Pentacene Derivatives Revealed through a Solid State [4 + 4] Thermal Cycloaddition and Molecular Dynamic Simulation.","The Journal of organic chemistry","2016","81","15","6223","6234","10.1021/acs.joc.6b00526","","","0.71073","MoKα","","0.125","0.0773","","","0.2264","0.2682","","","","","","1.048","","","","has coordinates","235231","2020-10-21","18:00:00",""
"4036789","10.631","0.004","7.727","0.003","12.428","0.004","90","","101.46","0.03","90","","1000.6","0.6","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C24 H26 N6 -","- C24 H26 N6 -","- C48 H52 N12 -","2","0.5","","Gregoliński, Janusz; Ślepokura, Katarzyna; Paćkowski, Tomasz; Panek, Jarosław; Stefanowicz, Piotr; Lisowski, Jerzy","From 2 + 2 to 8 + 8 Condensation Products of Diamine and Dialdehyde: Giant Container-Shaped Macrocycles for Multiple Anion Binding.","The Journal of organic chemistry","2016","81","13","5285","5294","10.1021/acs.joc.6b00531","","","0.71073","MoKα","","0.0874","0.0412","","","0.0428","0.0451","","","","","","0.962","","","","has coordinates","235234","2020-10-21","18:00:00",""
"4036790","8.243","0.003","9.896","0.003","11.002","0.003","67.26","0.03","70","0.03","85.92","0.03","775.9","0.5","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H46 Cl4 N6 O2 -","- C26 H46 Cl4 N6 O2 -","- C26 H46 Cl4 N6 O2 -","1","0.5","","Gregoliński, Janusz; Ślepokura, Katarzyna; Paćkowski, Tomasz; Panek, Jarosław; Stefanowicz, Piotr; Lisowski, Jerzy","From 2 + 2 to 8 + 8 Condensation Products of Diamine and Dialdehyde: Giant Container-Shaped Macrocycles for Multiple Anion Binding.","The Journal of organic chemistry","2016","81","13","5285","5294","10.1021/acs.joc.6b00531","","","0.71073","MoKα","","0.05","0.0371","","","0.0869","0.093","","","","","","1.044","","","","has coordinates","235234","2020-10-21","18:00:00",""
"4036791","11.81","0.004","12.323","0.005","18.403","0.008","102.45","0.04","102.42","0.03","96.33","0.03","2519.4","1.8","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C36 H75.4 Cl6 N9 O9.2 -","- C36 H70.634 Cl6 N9 O9.201 -","- C72 H141.268 Cl12 N18 O18.402 -","2","1","","Gregoliński, Janusz; Ślepokura, Katarzyna; Paćkowski, Tomasz; Panek, Jarosław; Stefanowicz, Piotr; Lisowski, Jerzy","From 2 + 2 to 8 + 8 Condensation Products of Diamine and Dialdehyde: Giant Container-Shaped Macrocycles for Multiple Anion Binding.","The Journal of organic chemistry","2016","81","13","5285","5294","10.1021/acs.joc.6b00531","","","0.71073","MoKα","","0.1122","0.0696","","","0.204","0.2174","","","","","","1.06","","","","has coordinates,has disorder","235234","2020-10-21","18:00:00",""
"4036792","13.699","0.004","14.041","0.004","16.705","0.005","90","","94.07","0.03","90","","3205.1","1.6","80","2","80","2","","","","","","","","5","P 1 2/n 1","-P 2yac","13","","","","- C48 H94 Cl8 N12 O9 -","- C48 H80 Cl8 N12 O9.002 -","- C96 H160 Cl16 N24 O18.004 -","2","0.5","","Gregoliński, Janusz; Ślepokura, Katarzyna; Paćkowski, Tomasz; Panek, Jarosław; Stefanowicz, Piotr; Lisowski, Jerzy","From 2 + 2 to 8 + 8 Condensation Products of Diamine and Dialdehyde: Giant Container-Shaped Macrocycles for Multiple Anion Binding.","The Journal of organic chemistry","2016","81","13","5285","5294","10.1021/acs.joc.6b00531","","","0.71073","MoKα","","0.1547","0.114","","","0.2515","0.2672","","","","","","1.192","","","","has coordinates,has disorder","235234","2020-10-21","18:00:00",""
"4036793","12.688","0.003","12.98","0.004","20.266","0.006","78.23","0.03","83.88","0.03","66.76","0.03","3001.1","1.6","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C48 H84 Cl8 N12 O4 -","- C48 H76 Cl8.001 N12 O4 -","- C96 H152 Cl16.002 N24 O8 -","2","1","","Gregoliński, Janusz; Ślepokura, Katarzyna; Paćkowski, Tomasz; Panek, Jarosław; Stefanowicz, Piotr; Lisowski, Jerzy","From 2 + 2 to 8 + 8 Condensation Products of Diamine and Dialdehyde: Giant Container-Shaped Macrocycles for Multiple Anion Binding.","The Journal of organic chemistry","2016","81","13","5285","5294","10.1021/acs.joc.6b00531","","","0.71073","MoKα","","0.1293","0.0919","","","0.2644","0.2868","","","","","","1.083","","","","has coordinates,has disorder","235234","2020-10-21","18:00:00",""
"4036794","16.114","0.005","17.239","0.005","28.561","0.009","85.55","0.03","78.76","0.03","65.28","0.03","7069","4","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C96 H214 N24 O63 S8 -","- C96 H152 N24 O62.997 S7.999 -","- C192 H304 N48 O125.994 S15.998 -","2","1","","Gregoliński, Janusz; Ślepokura, Katarzyna; Paćkowski, Tomasz; Panek, Jarosław; Stefanowicz, Piotr; Lisowski, Jerzy","From 2 + 2 to 8 + 8 Condensation Products of Diamine and Dialdehyde: Giant Container-Shaped Macrocycles for Multiple Anion Binding.","The Journal of organic chemistry","2016","81","13","5285","5294","10.1021/acs.joc.6b00531","","","0.71073","MoKα","","0.1742","0.0855","","","0.2115","0.2352","","","","","","1.003","","","","has coordinates,has disorder","235234","2020-10-21","18:00:00",""
"4036795","6.8209","0.0001","17.0464","0.0003","21.4158","0.0004","90","","90","","90","","2490.05","0.07","100","2","100.02","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C29 H34 Br N O3 -","- C29 H34 Br N O3 -","- C116 H136 Br4 N4 O12 -","4","1","","Bedford, Robin B.; Brenner, Peter B.; Durrant, Steven J.; Gallagher, Timothy; Méndez-Gálvez, Carolina; Montgomery, Michelle","Palladium-Catalyzed Ortho-Arylation of Carbamate-Protected Estrogens.","The Journal of organic chemistry","2016","81","9","3473","3478","10.1021/acs.joc.6b00532","","","0.71073","MoKα","","0.0316","0.0268","","","0.062","0.0635","","","","","","1.0345","","","","has coordinates","235237","2020-10-21","18:00:00",""
"4036796","7.653","0.002","10.942","0.003","15.068","0.006","90","","90","","90","","1261.8","0.7","291","2","291","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C16 H16 S -","- C16 H16 S -","- C64 H64 S4 -","4","1","","Vincent, Adrien; Deschamps, Damien; Martzel, Thomas; Lohier, Jean-François; Richards, Christopher J.; Gaumont, Annie-Claude; Perrio, Stéphane","Enantiomerically Pure [2.2]Paracyclophane-4-thiol: A Planar Chiral Sulfur-Based Building Block Readily Available by Resolution with an Amino Acid Chiral Auxiliary.","The Journal of organic chemistry","2016","81","9","3961","3966","10.1021/acs.joc.6b00560","","","0.71073","MoKα","","0.0665","0.0582","","","0.1472","0.1558","","","","","","1.087","","","","has coordinates","235239","2020-10-21","18:00:00",""
"4036797","11.024","0.001","11.6615","0.001","19.3697","0.0016","90","","90","","90","","2490.1","0.4","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C30 H29 N O3 S -","- C30 H29 N O3 S -","- C120 H116 N4 O12 S4 -","4","1","","Vincent, Adrien; Deschamps, Damien; Martzel, Thomas; Lohier, Jean-François; Richards, Christopher J.; Gaumont, Annie-Claude; Perrio, Stéphane","Enantiomerically Pure [2.2]Paracyclophane-4-thiol: A Planar Chiral Sulfur-Based Building Block Readily Available by Resolution with an Amino Acid Chiral Auxiliary.","The Journal of organic chemistry","2016","81","9","3961","3966","10.1021/acs.joc.6b00560","","","0.71073","MoKα","","0.0404","0.0324","","","0.0785","0.0825","","","","","","1.057","","","","has coordinates","235241","2020-10-21","18:00:00",""
"4036798","15.573","0.0007","8.1725","0.0003","17.7139","0.0008","90","","101.95","0.002","90","","2205.6","0.16","123","2","123","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","acetonitrile, 3-((4-(methoxycarbonyl)phenyl)ethynyl)- 1-methylquinolin-1-ium salt","","- C22 H19 F6 N2 O2 P -","- C22 H19 F6 N2 O2 P -","- C88 H76 F24 N8 O8 P4 -","4","1","","Schmidt, Andreas; Batsyts, Sviatoslav; Smeyanov, Alexey; Freese, Tyll; Hübner, Eike G; Nieger, Martin","Dipolar Bent and Linear Acetylenes Substituted by Cationic Quinolinium and Anionic Benzoates. Formation of Mesomeric Betaines.","The Journal of organic chemistry","2016","81","10","4202","4209","10.1021/acs.joc.6b00561","","","0.71073","MoKα","","0.0369","0.0322","","","0.086","0.0893","","","","","","1.051","","","","has coordinates","235244","2020-10-21","18:00:00",""
"4036799","13.8445","0.0005","8.2667","0.0003","17.2086","0.0006","90","","106.117","0.001","90","","1892.09","0.12","123","2","123","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","3-((2-(methoxycarbonyl)phenyl)ethynyl)-1-methylquinolin-1-ium hexafluorophosphate(V)","","- C20 H16 F6 N O2 P -","- C20 H16 F6 N O2 P -","- C80 H64 F24 N4 O8 P4 -","4","1","","Schmidt, Andreas; Batsyts, Sviatoslav; Smeyanov, Alexey; Freese, Tyll; Hübner, Eike G; Nieger, Martin","Dipolar Bent and Linear Acetylenes Substituted by Cationic Quinolinium and Anionic Benzoates. Formation of Mesomeric Betaines.","The Journal of organic chemistry","2016","81","10","4202","4209","10.1021/acs.joc.6b00561","","","1.54178","CuKα","","0.037","0.033","","","0.0857","0.0887","","","","","","1.063","","","","has coordinates","235244","2020-10-21","18:00:00",""
"4036800","13.8271","0.0008","8.2406","0.0005","17.2704","0.0009","90","","106.37","0.002","90","","1888.08","0.19","123","2","123","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","3-((2-((methoxy-d3)carbonyl)phenyl)ethynyl)-1-methylquinolin-1-ium hexafluorophosphate(V)","","- C20 H13 D3 F6 N O2 P -","- C20 H13 D3 F6 N O2 P -","- C80 H52 D12 F24 N4 O8 P4 -","4","1","","Schmidt, Andreas; Batsyts, Sviatoslav; Smeyanov, Alexey; Freese, Tyll; Hübner, Eike G; Nieger, Martin","Dipolar Bent and Linear Acetylenes Substituted by Cationic Quinolinium and Anionic Benzoates. Formation of Mesomeric Betaines.","The Journal of organic chemistry","2016","81","10","4202","4209","10.1021/acs.joc.6b00561","","","0.71073","MoKα","","0.0542","0.0384","","","0.0813","0.0878","","","","","","1.039","","","","has coordinates","235244","2020-10-21","18:00:00",""
"4036801","10.2551","0.0004","6.3701","0.0002","22.6746","0.0008","90","","102.474","0.002","90","","1446.28","0.09","123","2","123","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","3-(3-hydroxy-1-oxo-1H-inden-2-yl)-1-methylquinolin-1-ium chloride","","- C19 H14 Cl N O2 -","- C19 H14 Cl N O2 -","- C76 H56 Cl4 N4 O8 -","4","1","","Schmidt, Andreas; Batsyts, Sviatoslav; Smeyanov, Alexey; Freese, Tyll; Hübner, Eike G; Nieger, Martin","Dipolar Bent and Linear Acetylenes Substituted by Cationic Quinolinium and Anionic Benzoates. Formation of Mesomeric Betaines.","The Journal of organic chemistry","2016","81","10","4202","4209","10.1021/acs.joc.6b00561","","","1.54178","CuKα","","0.0519","0.0489","","","0.1423","0.1449","","","","","","1.09","","","","has coordinates","235244","2020-10-21","18:00:00",""
"4036802","11.1637","0.0009","7.8135","0.0006","12.2928","0.0009","90","","107.143","0.004","90","","1024.63","0.14","100","","100","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C18 H35 N O3 Si -","- C18 H35 N O3 Si -","- C36 H70 N2 O6 Si2 -","2","1","","Kamimura, Akio; Moriyama, Takaaki; Ito, Yuji; Kawamoto, Takuji; Uno, Hidemitsu","Asymmetric Synthesis of Bicyclic Nitrocyclopropanes from Primary Nitro Compounds and Stereoselective Formation of Tetrahydro-2H-cyclopenta[b]furans via Ring Expansion/Cyclization Reaction.","The Journal of organic chemistry","2016","81","11","4664","4681","10.1021/acs.joc.6b00566","","","1.54187","CuKα","","0.0618","0.0566","","","0.1347","0.1407","","","","","","1.041","","","","has coordinates","235246","2020-10-21","18:00:00",""
"4036803","7.0168","0.0016","11.99","0.003","22.723","0.006","90","","90","","90","","1911.7","0.8","100","","100","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C17 H29 N O4 Si -","- C17 H29 N O4 Si -","- C68 H116 N4 O16 Si4 -","4","1","","Kamimura, Akio; Moriyama, Takaaki; Ito, Yuji; Kawamoto, Takuji; Uno, Hidemitsu","Asymmetric Synthesis of Bicyclic Nitrocyclopropanes from Primary Nitro Compounds and Stereoselective Formation of Tetrahydro-2H-cyclopenta[b]furans via Ring Expansion/Cyclization Reaction.","The Journal of organic chemistry","2016","81","11","4664","4681","10.1021/acs.joc.6b00566","","","1.54187","CuKα","","0.1381","0.088","","","0.206","0.2481","","","","","","1.039","","","","has coordinates","235247","2020-10-21","18:00:00",""
"4036804","34.2","0.2","11.86","0.08","6.9","0.05","90","","90","","90","","2799","3","173","","173","","","","","","","","","5","C m c 21","C 2c -2","36","","","","- C25 H28 O2 P2 S6 -","- C25 H28 O2 P2 S6 -","- C100 H112 O8 P8 S24 -","4","0.5","","Hua, Guoxiong; Du, Junyi; Cordes, David B.; Slawin, Alexandra M. Z.; Woollins, J. Derek","One-Pot Three-Component Condensation Synthesis and Structural Features of Organophosphorus-Sulfur Macrocycles.","The Journal of organic chemistry","2016","81","10","4210","4225","10.1021/acs.joc.6b00573","","","0.71075","MoKα","","0.0708","0.0387","","","0.058","0.0648","","","","","","0.935","","","","has coordinates","235249","2020-10-21","18:00:00",""
"4036805","18.848","0.005","12.694","0.003","16.584","0.005","90","","95.752","0.008","90","","3947.9","1.8","125","","125","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C37 H36 Cl2 Fe2 P2 S6 -","- C37 H36 Cl2 Fe2 P2 S6 -","- C148 H144 Cl8 Fe8 P8 S24 -","4","1","","Hua, Guoxiong; Du, Junyi; Cordes, David B.; Slawin, Alexandra M. Z.; Woollins, J. Derek","One-Pot Three-Component Condensation Synthesis and Structural Features of Organophosphorus-Sulfur Macrocycles.","The Journal of organic chemistry","2016","81","10","4210","4225","10.1021/acs.joc.6b00573","","","0.71075","MoKα","","0.105","0.0732","","","0.1253","0.1378","","","","","","1.134","","","","has coordinates","235250","2020-10-21","18:00:00",""
"4036806","7.515","0.006","22.102","0.013","10.965","0.008","90","","92.82","0.02","90","","1819","2","125","","125","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C36 H34 Fe2 P2 S6 -","- C36 H34 Fe2 P2 S6 -","- C72 H68 Fe4 P4 S12 -","2","0.5","","Hua, Guoxiong; Du, Junyi; Cordes, David B.; Slawin, Alexandra M. Z.; Woollins, J. Derek","One-Pot Three-Component Condensation Synthesis and Structural Features of Organophosphorus-Sulfur Macrocycles.","The Journal of organic chemistry","2016","81","10","4210","4225","10.1021/acs.joc.6b00573","","","0.71075","MoKα","","","0.0934","","","","0.1715","","","","","","1.239","","","","has coordinates","235252","2020-10-21","18:00:00",""
"4036807","8.73","0.05","13.73","0.07","15.62","0.08","79","3","75","3","78","3","1750","3","125","","125","","","","","","","","","7","P -1","-P 1","2","","","","- C31 H28 Cl2 Fe2 N2 P2 S7 -","- C31 H28 Cl2 Fe2 N2 P2 S7 -","- C62 H56 Cl4 Fe4 N4 P4 S14 -","2","1","","Hua, Guoxiong; Du, Junyi; Cordes, David B.; Slawin, Alexandra M. Z.; Woollins, J. Derek","One-Pot Three-Component Condensation Synthesis and Structural Features of Organophosphorus-Sulfur Macrocycles.","The Journal of organic chemistry","2016","81","10","4210","4225","10.1021/acs.joc.6b00573","","","0.71075","MoKα","","0.0982","0.0507","","","0.0954","0.1129","","","","","","0.989","","","","has coordinates","235254","2020-10-21","18:00:00",""
"4036808","8.3619","0.0013","16.044","0.003","24.922","0.004","93.773","0.014","99.581","0.012","102.67","0.012","3198.3","1","125","","125","","","","","","","","","5","P -1","-P 1","2","","","","- C30 H30 O2 P2 S6 -","- C30 H30 O2 P2 S6 -","- C120 H120 O8 P8 S24 -","4","2","","Hua, Guoxiong; Du, Junyi; Cordes, David B.; Slawin, Alexandra M. Z.; Woollins, J. Derek","One-Pot Three-Component Condensation Synthesis and Structural Features of Organophosphorus-Sulfur Macrocycles.","The Journal of organic chemistry","2016","81","10","4210","4225","10.1021/acs.joc.6b00573","","","0.71075","MoKα","","0.1595","0.106","","","0.2399","0.3003","","","","","","1.125","","","","has coordinates","235255","2020-10-21","18:00:00",""
"4036809","23.798","0.003","7.4405","0.0009","37.885","0.003","90","","90.297","0.008","90","","6708.2","1.3","173","","173","","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C32 H34 Fe2 P2 S6 -","- C32 H34 Fe2 P2 S6 -","- C256 H272 Fe16 P16 S48 -","8","1","","Hua, Guoxiong; Du, Junyi; Cordes, David B.; Slawin, Alexandra M. Z.; Woollins, J. Derek","One-Pot Three-Component Condensation Synthesis and Structural Features of Organophosphorus-Sulfur Macrocycles.","The Journal of organic chemistry","2016","81","10","4210","4225","10.1021/acs.joc.6b00573","","","0.71075","MoKα","","","0.0697","","","","0.1735","","","","","","1.051","","","","has coordinates","235257","2020-10-21","18:00:00",""
"4036810","7.47","0.04","12.42","0.07","17.85","0.11","101","4","94","4","99","4","1597","4","125","","125","","","","","","","","","5","P -1","-P 1","2","","","","- C31 H32 Fe2 P2 S6 -","- C31 H32 Fe2 P2 S6 -","- C62 H64 Fe4 P4 S12 -","2","1","","Hua, Guoxiong; Du, Junyi; Cordes, David B.; Slawin, Alexandra M. Z.; Woollins, J. Derek","One-Pot Three-Component Condensation Synthesis and Structural Features of Organophosphorus-Sulfur Macrocycles.","The Journal of organic chemistry","2016","81","10","4210","4225","10.1021/acs.joc.6b00573","","","0.71075","MoKα","","0.1686","0.0799","","","0.1303","0.1613","","","","","","1.027","","","","has coordinates","235259","2020-10-21","18:00:00",""
"4036811","20.582","0.004","6.5265","0.0013","17.616","0.004","90","","90.763","0.003","90","","2366.1","0.8","123","","123","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C29 H28 O Si -","- C29 H28 O Si -","- C116 H112 O4 Si4 -","4","1","","Shintani, Ryo; Kurata, Hiroki; Nozaki, Kyoko","Intermolecular Three-Component Arylsilylation of Alkynes under Palladium/Copper Cooperative Catalysis.","The Journal of organic chemistry","2016","81","8","3065","3069","10.1021/acs.joc.6b00587","","","0.71075","MoKα","","0.0604","0.0582","","","0.1423","0.1436","","","","","","1.138","","","","has coordinates","235261","2020-10-21","18:00:00",""
"4036812","11.793","0.006","5.631","0.003","13.738","0.006","90","","104.854","0.005","90","","881.8","0.8","93","","93","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C24 H17 Br -","- C24 H17 Br -","- C48 H34 Br2 -","2","1","","Shintani, Ryo; Kurata, Hiroki; Nozaki, Kyoko","Intermolecular Three-Component Arylsilylation of Alkynes under Palladium/Copper Cooperative Catalysis.","The Journal of organic chemistry","2016","81","8","3065","3069","10.1021/acs.joc.6b00587","","","0.71075","MoKα","","0.0501","0.0438","","","0.0951","0.1014","","","","","","1.049","","","","has coordinates","235263","2020-10-21","18:00:00",""
"4036813","9.467","0.0001","9.0299","0.0001","13.0503","0.0002","90","","110.756","0.001","90","","1043.21","0.02","130","","130","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C25 H25 N O5 -","- C25 H25 N O5 -","- C50 H50 N2 O10 -","2","1","","Yang, Xue; Zhang, Yu-Chen; Zhu, Qiu-Ning; Tu, Man-Su; Shi, Feng","Diastereo- and Enantioselective Construction of the Hexahydrocoumarin Scaffold via an Organocatalytic Asymmetric [3 + 3] Cyclization.","The Journal of organic chemistry","2016","81","12","5056","5065","10.1021/acs.joc.6b00603","","","1.54178","CuKα","","0.0337","0.0328","","","0.0788","0.0796","","","","","","1.035","","","","has coordinates","235265","2020-10-21","18:00:00",""
"4036814","7.0745","0.0002","7.2465","0.0002","10.1757","0.0003","76.6471","0.0012","71.3133","0.0014","68.9809","0.0013","457.29","0.02","173","","173","","","","","","","","","4","P -1","-P 1","2","","","","- C8 H7 N5 O2 -","- C8 H7 N5 O2 -","- C16 H14 N10 O4 -","2","1","","Imai, Taro; Harigae, Ryo; Moriyama, Katsuhiko; Togo, Hideo","Preparation of 5-Aryl-2-Alkyltetrazoles with Aromatic Aldehydes, Alkylhydrazine, Di-tert-butyl Azodicarboxylate, and [Bis(trifluoroacetoxy)iodo]benzene.","The Journal of organic chemistry","2016","81","9","3975","3980","10.1021/acs.joc.6b00606","","","1.54178","CuKα","","0.0345","0.0335","","","0.0929","0.0938","","","","","","1.035","","","","has coordinates","235267","2020-10-21","18:00:00",""
"4036815","12.49463","0.00006","6.03595","0.00005","12.70711","0.00006","90","","99.5432","0.0005","90","","945.069","0.01","180","0.1","180","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C22 H17 Br O4 -","- C22 H17 Br O4 -","- C44 H34 Br2 O8 -","2","1","","Bose, Sritama; Yang, Jun; Yu, Zhi-Xiang","Formal Synthesis of Gracilamine Using Rh(I)-Catalyzed [3 + 2 + 1] Cycloaddition of 1-Yne-Vinylcyclopropanes and CO.","The Journal of organic chemistry","2016","81","15","6757","6765","10.1021/acs.joc.6b00608","","","1.54184","CuKα","","0.0261","0.026","","","0.0684","0.0684","","","","","","1.076","","","","has coordinates","235269","2020-10-21","18:00:00",""
"4036816","8.9516","0.0007","10.8253","0.0008","27.1895","0.0019","90","","90","","90","","2634.8","0.3","180.01","0.1","180.01","0.1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C16 H14 O4 -","- C16 H14 O4 -","- C128 H112 O32 -","8","2","","Bose, Sritama; Yang, Jun; Yu, Zhi-Xiang","Formal Synthesis of Gracilamine Using Rh(I)-Catalyzed [3 + 2 + 1] Cycloaddition of 1-Yne-Vinylcyclopropanes and CO.","The Journal of organic chemistry","2016","81","15","6757","6765","10.1021/acs.joc.6b00608","","","0.71073","MoKα","","0.0853","0.0465","","","0.079","0.0918","","","","","","0.991","","","","has coordinates","235271","2020-10-21","18:00:00",""
"4036817","10.717","0.003","11.387","0.004","17.576","0.005","84.285","0.011","76.475","0.001","83.963","0.012","2067.6","1.1","293","2","293","2","","","","","","","see text","4","P -1","-P 1","2","","","","- C26 H22 N2 O3 -","- C26 H22 N2 O3 -","- C104 H88 N8 O12 -","4","2","","Dighe, Shashikant U.; Mahar, Rohit; Shukla, Sanjeev K.; Kant, Ruchir; Srivastava, Kumkum; Batra, Sanjay","Synthesis of S-(-)-5,6-Dihydrocanthin-4-ones via a Triple Cooperative Catalysis-Mediated Domino Reaction.","The Journal of organic chemistry","2016","81","11","4751","4761","10.1021/acs.joc.6b00613","","","0.71075","MoKα","","0.063","0.0503","","","0.1277","0.1378","","","","","","1.069","","","","has coordinates","235273","2020-10-21","18:00:00",""
"4036818","10.1097","0.0007","37.046","0.003","12.8847","0.0009","90","","91.85","0.003","90","","4823.1","0.6","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C45 H46 F3 N2 O10 -","- C45 H46 F3 N2 O10 -","- C180 H184 F12 N8 O40 -","4","2","","Hu, Wei-Bo; Hu, Wen-Jing; Zhao, Xiao-Li; Liu, Yahu A.; Li, Jiu-Sheng; Jiang, Biao; Wen, Ke","A1/A2-Diamino-Substituted Pillar[5]arene-Based Acid-Base-Responsive Host-Guest System.","The Journal of organic chemistry","2016","81","9","3877","3881","10.1021/acs.joc.6b00617","","","0.71073","MoKα","","0.1604","0.1095","","","0.2936","0.3266","","","","","","1.031","","","","has coordinates","235275","2020-10-21","18:00:00",""
"4036819","14.289","0.003","15.287","0.003","15.562","0.003","61.452","0.002","88.618","0.003","80.588","0.003","2940.1","1","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H23 Br N4 O -","- C18 H23 Br N4 O -","- C108 H138 Br6 N24 O6 -","6","3","","Tamaki, Airi; Kojima, Satoshi; Yamamoto, Yohsuke","Examination of Pyridazine as a Possible Scaffold for Nucleophilic Catalysis.","The Journal of organic chemistry","2016","81","19","8710","8721","10.1021/acs.joc.6b00630","","","0.71073","MoKα","","0.1343","0.0709","","","0.1692","0.2018","","","","","","1.04","","","","has coordinates,has disorder","235278","2020-10-21","18:00:00",""
"4036820","7.2339","0.0002","13.8782","0.0005","17.753","0.0006","90","","90","","90","","1782.29","0.1","105","","105","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C22 H31 N O2 -","- C22 H31 N O2 -","- C88 H124 N4 O8 -","4","1","","Chattopadhyay, Amit Kumar; Berger, Gilles; Hanessian, Stephen","Strategies toward the Total Synthesis of Calyciphylline B-type Alkaloids: A Computational Perspective Aided by DFT Analysis.","The Journal of organic chemistry","2016","81","12","5074","5086","10.1021/acs.joc.6b00638","","x-ray","1.34139","GaKα","","0.0377","0.0375","","","0.0968","0.097","","","","","","1.181","","","","has coordinates","235281","2020-10-21","18:00:00",""
"4036821","5.5592","0.0014","11.717","0.003","26.483","0.007","90","","90","","90","","1725","0.8","100","","100","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C21 H29 N O -","- C21 H29 N O -","- C84 H116 N4 O4 -","4","1","","Chattopadhyay, Amit Kumar; Berger, Gilles; Hanessian, Stephen","Strategies toward the Total Synthesis of Calyciphylline B-type Alkaloids: A Computational Perspective Aided by DFT Analysis.","The Journal of organic chemistry","2016","81","12","5074","5086","10.1021/acs.joc.6b00638","","x-ray","1.34139","GaKα","","0.1597","0.0688","","","0.1306","0.166","","","","","","0.993","","","","has coordinates","235283","2020-10-21","18:00:00",""
"4036822","10.8965","0.0005","11.6817","0.0006","16.411","0.0008","90","","90","","90","","2088.95","0.18","100","","100","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C23 H36 I N O -","- C23 H36 I N O -","- C92 H144 I4 N4 O4 -","4","1","","Chattopadhyay, Amit Kumar; Berger, Gilles; Hanessian, Stephen","Strategies toward the Total Synthesis of Calyciphylline B-type Alkaloids: A Computational Perspective Aided by DFT Analysis.","The Journal of organic chemistry","2016","81","12","5074","5086","10.1021/acs.joc.6b00638","","x-ray","1.54178","CuKα","","0.0188","0.0188","","","0.0505","0.0505","","","","","","1.106","","","","has coordinates","235285","2020-10-21","18:00:00",""
"4036823","9.149","0.005","10.448","0.006","12.712","0.008","80.924","0.013","71.346","0.011","89.687","0.013","1135.6","1.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C25 H21 N5 O3 S -","- C25 H21 N5 O3 S -","- C50 H42 N10 O6 S2 -","2","1","","Zhao, Yingying; Hu, Yancheng; Wang, Haolong; Li, Xincheng; Wan, Boshun","Transition-Metal Controlled Diastereodivergent Radical Cyclization/Azidation Cascade of 1,7-Enynes.","The Journal of organic chemistry","2016","81","10","4412","4420","10.1021/acs.joc.6b00655","","","0.71073","MoKα","","0.0616","0.0483","","","0.1241","0.1346","","","","","","1.026","","","","has coordinates","235287","2020-10-21","18:00:00",""
"4036824","7.641","0.009","9.967","0.012","10.058","0.013","87.78","0.02","80.78","0.02","67.547","0.018","698.6","1.5","298","2","298","2","","","","","","","","3","P -1","-P 1","2","","","","- C18 H18 O3 -","- C18 H18 O3 -","- C36 H36 O6 -","2","1","","Li, Yue; Yang, Wen; Cheng, Guo; Yang, Dingqiao","Palladium-Catalyzed syn-Stereocontrolled Ring-Opening of Oxabicyclic Alkenes with Sodium Arylsulfinates.","The Journal of organic chemistry","2016","81","11","4744","4750","10.1021/acs.joc.6b00667","","","0.71073","MoKα","","0.0566","0.0452","","","0.1151","0.1273","","","","","","1.025","","","","has coordinates","235289","2020-10-21","18:00:00",""
"4036825","9.995","0.002","19.045","0.004","11.123","0.002","90","","98.823","0.01","90","","2092.3","0.7","298","2","298","2","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","1-((3R*,4R*)-2,2-bis(4-methoxyphenyl)-4-methyl-5-oxotetrahydrofuran-3-yl)- 1,3-dimethylurea","","- C22 H26 N2 O5 -","- C22 H26 N2 O5 -","- C88 H104 N8 O20 -","4","1","","Kise, Naoki; Hamada, Yusuke; Sakurai, Toshihiko","Electroreductive Intermolecular Coupling of Uracils with Aromatic Ketones: Synthesis of 6-Substituted and cis-5,6-Disubstituted 5,6-Dihydro-1,3-dimethyluracils and Their Transformation to 6-Substituted 1,3-Dimethyluracils, trans-5,6-Disubstituted 5,6-Dihydro-1,3-dimethyluracils, and 4,5,5-Trisubstituted 3-Methyloxazolizin-2-ones.","The Journal of organic chemistry","2016","81","12","5101","5119","10.1021/acs.joc.6b00670","","","0.71075","MoKα","","0.0917","0.0446","","","0.0922","0.1017","","","","","","0.999","","","","has coordinates","235291","2020-10-21","18:00:00",""
"4036826","26.963","0.004","6.5609","0.0011","21.337","0.003","90","","128.177","0.005","90","","2967.2","0.8","298","2","298","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","(5R*,6S*)-6-((S*)-1-hydroxy-2,3-dihydro-1H-inden-1-yl)-1,3,5-trimethyldihydropyrimidine-2,4(1H,3H)-dione","","- C16 H20 N2 O3 -","- C16 H20 N2 O3 -","- C128 H160 N16 O24 -","8","1","","Kise, Naoki; Hamada, Yusuke; Sakurai, Toshihiko","Electroreductive Intermolecular Coupling of Uracils with Aromatic Ketones: Synthesis of 6-Substituted and cis-5,6-Disubstituted 5,6-Dihydro-1,3-dimethyluracils and Their Transformation to 6-Substituted 1,3-Dimethyluracils, trans-5,6-Disubstituted 5,6-Dihydro-1,3-dimethyluracils, and 4,5,5-Trisubstituted 3-Methyloxazolizin-2-ones.","The Journal of organic chemistry","2016","81","12","5101","5119","10.1021/acs.joc.6b00670","","","0.71075","MoKα","","0.1235","0.0463","","","0.0706","0.0808","","","","","","0.954","","","","has coordinates","235293","2020-10-21","18:00:00",""
"4036827","7.3998","0.0004","14.527","0.0009","13.1607","0.0006","90","","98.039","0.003","90","","1400.83","0.13","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(R*)-6-((S*)-1-hydroxy-2,3-dihydro-1H-inden-1-yl)-1,3- dimethyldihydropyrimidine-2,4(1H,3H)-dione","","- C15 H18 N2 O3 -","- C15 H18 N2 O3 -","- C60 H72 N8 O12 -","4","1","","Kise, Naoki; Hamada, Yusuke; Sakurai, Toshihiko","Electroreductive Intermolecular Coupling of Uracils with Aromatic Ketones: Synthesis of 6-Substituted and cis-5,6-Disubstituted 5,6-Dihydro-1,3-dimethyluracils and Their Transformation to 6-Substituted 1,3-Dimethyluracils, trans-5,6-Disubstituted 5,6-Dihydro-1,3-dimethyluracils, and 4,5,5-Trisubstituted 3-Methyloxazolizin-2-ones.","The Journal of organic chemistry","2016","81","12","5101","5119","10.1021/acs.joc.6b00670","","","0.71075","MoKα","","0.0719","0.0446","","","0.1153","0.1236","","","","","","1.044","","","","has coordinates","235295","2020-10-21","18:00:00",""
"4036828","7.376","0.016","14.89","0.05","27.34","0.07","90.6","0.2","90.06","0.19","91.6","0.2","3001","14","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","(5R*,6S*)-6-((R*)-1-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl)-1,3,5-trimethyldihydropyrimidine-2,4(1H,3H)-dione","","- C17 H22 N2 O3 -","- C17 H22 N2 O3 -","- C136 H176 N16 O24 -","8","4","","Kise, Naoki; Hamada, Yusuke; Sakurai, Toshihiko","Electroreductive Intermolecular Coupling of Uracils with Aromatic Ketones: Synthesis of 6-Substituted and cis-5,6-Disubstituted 5,6-Dihydro-1,3-dimethyluracils and Their Transformation to 6-Substituted 1,3-Dimethyluracils, trans-5,6-Disubstituted 5,6-Dihydro-1,3-dimethyluracils, and 4,5,5-Trisubstituted 3-Methyloxazolizin-2-ones.","The Journal of organic chemistry","2016","81","12","5101","5119","10.1021/acs.joc.6b00670","","","0.71075","MoKα","","0.2036","0.0948","","","0.2255","0.2965","","","","","","1.006","","","","has coordinates","235297","2020-10-21","18:00:00",""
"4036829","19.618","0.011","12.402","0.01","16.883","0.011","90","","93.92","0.03","90","","4098","5","298","2","298","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","(5R*,6R*)-6-(bis(4-methoxyphenyl)methyl)-1,3,5-trimethyldihydropyrimidine- 2,4(1H,3H)-dione","","- C22 H26 N2 O5 -","- C22 H26 N2 O5 -","- C176 H208 N16 O40 -","8","1","","Kise, Naoki; Hamada, Yusuke; Sakurai, Toshihiko","Electroreductive Intermolecular Coupling of Uracils with Aromatic Ketones: Synthesis of 6-Substituted and cis-5,6-Disubstituted 5,6-Dihydro-1,3-dimethyluracils and Their Transformation to 6-Substituted 1,3-Dimethyluracils, trans-5,6-Disubstituted 5,6-Dihydro-1,3-dimethyluracils, and 4,5,5-Trisubstituted 3-Methyloxazolizin-2-ones.","The Journal of organic chemistry","2016","81","12","5101","5119","10.1021/acs.joc.6b00670","","","0.71075","MoKα","","0.2158","0.0681","","","0.0657","0.0757","","","","","","0.996","","","","has coordinates","235299","2020-10-21","18:00:00",""
"4036830","7.7341","0.0005","10.8737","0.0007","21.0422","0.0013","90","","92.26","0.003","90","","1768.24","0.19","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","6-(5-hydroxy-10,11-dihydro-5H-dibenzo[a,d][7]annulen-5-yl)- 1,3-dimethyldihydropyrimidine-2,4(1H,3H)-dione","","- C21 H22 N2 O3 -","- C21 H22 N2 O3 -","- C84 H88 N8 O12 -","4","1","","Kise, Naoki; Hamada, Yusuke; Sakurai, Toshihiko","Electroreductive Intermolecular Coupling of Uracils with Aromatic Ketones: Synthesis of 6-Substituted and cis-5,6-Disubstituted 5,6-Dihydro-1,3-dimethyluracils and Their Transformation to 6-Substituted 1,3-Dimethyluracils, trans-5,6-Disubstituted 5,6-Dihydro-1,3-dimethyluracils, and 4,5,5-Trisubstituted 3-Methyloxazolizin-2-ones.","The Journal of organic chemistry","2016","81","12","5101","5119","10.1021/acs.joc.6b00670","","","0.71075","MoKα","","0.1248","0.0503","","","0.0712","0.0823","","","","","","1.021","","","","has coordinates","235301","2020-10-21","18:00:00",""
"4036831","12.085","0.002","9.5194","0.0019","15.284","0.003","90","","97.812","0.007","90","","1742","0.6","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","(R*)-2-fluoro-N-methyl-2-((S*)-3-methyl-2-oxo-5,5- diphenyloxazolidin-4-yl)acetamide","","- C19 H19 F N2 O3 -","- C19 H19 F N2 O3 -","- C76 H76 F4 N8 O12 -","4","1","","Kise, Naoki; Hamada, Yusuke; Sakurai, Toshihiko","Electroreductive Intermolecular Coupling of Uracils with Aromatic Ketones: Synthesis of 6-Substituted and cis-5,6-Disubstituted 5,6-Dihydro-1,3-dimethyluracils and Their Transformation to 6-Substituted 1,3-Dimethyluracils, trans-5,6-Disubstituted 5,6-Dihydro-1,3-dimethyluracils, and 4,5,5-Trisubstituted 3-Methyloxazolizin-2-ones.","The Journal of organic chemistry","2016","81","12","5101","5119","10.1021/acs.joc.6b00670","","","0.71075","MoKα","","0.0595","0.04","","","0.1113","0.1172","","","","","","1.074","","","","has coordinates","235302","2020-10-21","18:00:00",""
"4036832","15.998","0.003","11.382","0.002","9.0299","0.0011","90","","90","","90","","1644.2","0.5","298","2","298","2","","","","","","","","4","P n a 21","P 2c -2n","33","","(5R*,6R*)-6-((R*)-1-hydroxy-2,3-dihydro-1H-inden-1-yl)-1,3,5-trimethyldihydropyrimidine-2,4(1H,3H)-dione","","- C16 H20 N2 O3 -","- C16 H20 N2 O4 -","- C64 H80 N8 O16 -","4","1","","Kise, Naoki; Hamada, Yusuke; Sakurai, Toshihiko","Electroreductive Intermolecular Coupling of Uracils with Aromatic Ketones: Synthesis of 6-Substituted and cis-5,6-Disubstituted 5,6-Dihydro-1,3-dimethyluracils and Their Transformation to 6-Substituted 1,3-Dimethyluracils, trans-5,6-Disubstituted 5,6-Dihydro-1,3-dimethyluracils, and 4,5,5-Trisubstituted 3-Methyloxazolizin-2-ones.","The Journal of organic chemistry","2016","81","12","5101","5119","10.1021/acs.joc.6b00670","","","0.71075","MoKα","","0.0748","0.0426","","","0.061","0.065","","","","","","1.026","","","","has coordinates","235304","2020-10-21","18:00:00",""
"4036833","7.647","0.002","16.049","0.005","14.91","0.004","90","","88.69","0.03","90","","1829.4","0.9","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2-fluoro-N-methyl-2-(3'-methyl-2'-oxo-10,11-dihydrospiro[dibenzo [a,d][7]annulene-5,5'-oxazolidin]-4'-yl)acetamide","","- C21 H21 F N2 O3 -","- C21 H21 F N2 O3 -","- C84 H84 F4 N8 O12 -","4","1","","Kise, Naoki; Hamada, Yusuke; Sakurai, Toshihiko","Electroreductive Intermolecular Coupling of Uracils with Aromatic Ketones: Synthesis of 6-Substituted and cis-5,6-Disubstituted 5,6-Dihydro-1,3-dimethyluracils and Their Transformation to 6-Substituted 1,3-Dimethyluracils, trans-5,6-Disubstituted 5,6-Dihydro-1,3-dimethyluracils, and 4,5,5-Trisubstituted 3-Methyloxazolizin-2-ones.","The Journal of organic chemistry","2016","81","12","5101","5119","10.1021/acs.joc.6b00670","","","0.71075","MoKα","","0.0671","0.0431","","","0.0959","0.1036","","","","","","1.034","","","","has coordinates","235306","2020-10-21","18:00:00",""
"4036834","14.3115","0.0014","13.1849","0.0011","14.2329","0.0015","90","","39.707","0.003","90","","1715.8","0.3","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","(R*)-2-fluoro-N-methyl-2-((R*)-3-methyl-2-oxo-5,5-diphenyloxazolidin-4-yl)acetamide","","- C19 H19 F N2 O3 -","- C19 H19 F N2 O3 -","- C76 H76 F4 N8 O12 -","4","1","","Kise, Naoki; Hamada, Yusuke; Sakurai, Toshihiko","Electroreductive Intermolecular Coupling of Uracils with Aromatic Ketones: Synthesis of 6-Substituted and cis-5,6-Disubstituted 5,6-Dihydro-1,3-dimethyluracils and Their Transformation to 6-Substituted 1,3-Dimethyluracils, trans-5,6-Disubstituted 5,6-Dihydro-1,3-dimethyluracils, and 4,5,5-Trisubstituted 3-Methyloxazolizin-2-ones.","The Journal of organic chemistry","2016","81","12","5101","5119","10.1021/acs.joc.6b00670","","","0.71075","MoKα","","0.1075","0.0422","","","0.0712","0.0794","","","","","","1.01","","","","has coordinates","235307","2020-10-21","18:00:00",""
"4036835","23.225","0.011","7.409","0.003","23.144","0.01","90","","31.787","0.01","90","","2097.8","1.7","298","2","298","2","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","(5R*,6R*)-6-(methoxybis(4-methoxyphenyl)methyl)-1,3,5- trimethyldihydropyrimidine-2,4(1H,3H)-dione","","- C23 H28 N2 O5 -","- C23 H28 N2 O5 -","- C92 H112 N8 O20 -","4","1","","Kise, Naoki; Hamada, Yusuke; Sakurai, Toshihiko","Electroreductive Intermolecular Coupling of Uracils with Aromatic Ketones: Synthesis of 6-Substituted and cis-5,6-Disubstituted 5,6-Dihydro-1,3-dimethyluracils and Their Transformation to 6-Substituted 1,3-Dimethyluracils, trans-5,6-Disubstituted 5,6-Dihydro-1,3-dimethyluracils, and 4,5,5-Trisubstituted 3-Methyloxazolizin-2-ones.","The Journal of organic chemistry","2016","81","12","5101","5119","10.1021/acs.joc.6b00670","","","0.71075","MoKα","","0.161","0.0537","","","0.0702","0.0823","","","","","","0.999","","","","has coordinates","235309","2020-10-21","18:00:00",""
"4036836","23.5","0.006","7.618","0.0019","15.349","0.003","90","","101.27","0.01","90","","2694.8","1.1","298","2","298","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","6-(1H-inden-3-yl)-1,3-dimethyldihydropyrimidine-2,4(1H,3H)-dione","","- C15 H16 N2 O2 -","- C15 H16 N2 O2.5 -","- C120 H128 N16 O20 -","8","1","","Kise, Naoki; Hamada, Yusuke; Sakurai, Toshihiko","Electroreductive Intermolecular Coupling of Uracils with Aromatic Ketones: Synthesis of 6-Substituted and cis-5,6-Disubstituted 5,6-Dihydro-1,3-dimethyluracils and Their Transformation to 6-Substituted 1,3-Dimethyluracils, trans-5,6-Disubstituted 5,6-Dihydro-1,3-dimethyluracils, and 4,5,5-Trisubstituted 3-Methyloxazolizin-2-ones.","The Journal of organic chemistry","2016","81","12","5101","5119","10.1021/acs.joc.6b00670","","","0.71075","MoKα","","0.0947","0.0527","","","0.1419","0.1552","","","","","","1.029","","","","has coordinates","235311","2020-10-21","18:00:00",""
"4036837","10.726","0.003","10.742","0.004","15.068","0.006","87.493","0.013","69.693","0.015","65.249","0.011","1468.1","0.9","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","(5R*,6S*)-6-(3,4-dihydronaphthalen-1-yl)-5-fluoro-1,3- dimethyldihydropyrimidine-2,4(1H,3H)-dione","","- C16 H17 F N2 O2 -","- C16 H17 F N2 O2 -","- C64 H68 F4 N8 O8 -","4","2","","Kise, Naoki; Hamada, Yusuke; Sakurai, Toshihiko","Electroreductive Intermolecular Coupling of Uracils with Aromatic Ketones: Synthesis of 6-Substituted and cis-5,6-Disubstituted 5,6-Dihydro-1,3-dimethyluracils and Their Transformation to 6-Substituted 1,3-Dimethyluracils, trans-5,6-Disubstituted 5,6-Dihydro-1,3-dimethyluracils, and 4,5,5-Trisubstituted 3-Methyloxazolizin-2-ones.","The Journal of organic chemistry","2016","81","12","5101","5119","10.1021/acs.joc.6b00670","","","0.71075","MoKα","","0.1551","0.0475","","","0.0663","0.0759","","","","","","0.979","","","","has coordinates","235313","2020-10-21","18:00:00",""
"4036838","16.476","0.003","14.05","0.002","19.613","0.004","90","","90","","90","","4540.2","1.4","298","2","298","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","(5R*,6S*)-6-(diphenyl((trimethylsilyl)oxy)methyl)-1,3,5- trimethyldihydropyrimidine-2,4(1H,3H)-dione","","- C23 H30 N2 O3 Si -","- C23 H30 N2 O3 Si -","- C184 H240 N16 O24 Si8 -","8","1","","Kise, Naoki; Hamada, Yusuke; Sakurai, Toshihiko","Electroreductive Intermolecular Coupling of Uracils with Aromatic Ketones: Synthesis of 6-Substituted and cis-5,6-Disubstituted 5,6-Dihydro-1,3-dimethyluracils and Their Transformation to 6-Substituted 1,3-Dimethyluracils, trans-5,6-Disubstituted 5,6-Dihydro-1,3-dimethyluracils, and 4,5,5-Trisubstituted 3-Methyloxazolizin-2-ones.","The Journal of organic chemistry","2016","81","12","5101","5119","10.1021/acs.joc.6b00670","","","0.71075","MoKα","","0.1349","0.0592","","","0.0562","0.0641","","","","","","1.007","","","","has coordinates","235314","2020-10-21","18:00:00",""
"4036839","23.813","0.002","10.0379","0.0012","23.641","0.002","90","","19.1869","0.0014","90","","1857.2","0.3","298","2","298","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","(5R*,6R*)-6-(bis(4-fluorophenyl)(hydroxy)methyl)-1,3,5-trimethyldihydropyrimidine-2,4(1H,3H)-dione","","- C20 H20 F2 N2 O3 -","- C20 H20 F2 N2 O3 -","- C80 H80 F8 N8 O12 -","4","1","","Kise, Naoki; Hamada, Yusuke; Sakurai, Toshihiko","Electroreductive Intermolecular Coupling of Uracils with Aromatic Ketones: Synthesis of 6-Substituted and cis-5,6-Disubstituted 5,6-Dihydro-1,3-dimethyluracils and Their Transformation to 6-Substituted 1,3-Dimethyluracils, trans-5,6-Disubstituted 5,6-Dihydro-1,3-dimethyluracils, and 4,5,5-Trisubstituted 3-Methyloxazolizin-2-ones.","The Journal of organic chemistry","2016","81","12","5101","5119","10.1021/acs.joc.6b00670","","","0.71075","MoKα","","0.0952","0.0471","","","0.0963","0.1085","","","","","","0.993","","","","has coordinates","235316","2020-10-21","18:00:00",""
"4036840","8.9757","0.0014","10.4492","0.0012","18.317","0.003","90","","94.339","0.004","90","","1713","0.4","298","2","298","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","2-(5,5-bis(4-fluorophenyl)-3-methyl-2-oxooxazolidin-4-yl)-N-methylacetamide","","- C19 H18 F2 N2 O3 -","- C19 H18 F2 N2 O3 -","- C76 H72 F8 N8 O12 -","4","1","","Kise, Naoki; Hamada, Yusuke; Sakurai, Toshihiko","Electroreductive Intermolecular Coupling of Uracils with Aromatic Ketones: Synthesis of 6-Substituted and cis-5,6-Disubstituted 5,6-Dihydro-1,3-dimethyluracils and Their Transformation to 6-Substituted 1,3-Dimethyluracils, trans-5,6-Disubstituted 5,6-Dihydro-1,3-dimethyluracils, and 4,5,5-Trisubstituted 3-Methyloxazolizin-2-ones.","The Journal of organic chemistry","2016","81","12","5101","5119","10.1021/acs.joc.6b00670","","","0.71075","MoKα","","0.0696","0.0389","","","0.0871","0.0937","","","","","","1.012","","","","has coordinates","235318","2020-10-21","18:00:00",""
"4036841","10.32","0.03","10.32","0.03","18.06","0.05","90","","90","","90","","1923","10","298","2","298","2","","","","","","","","5","P 41","P 4w","76","","1-((3S,4S)-2,2-bis(4-fluorophenyl)-4-methyl-5-oxotetrahydrofuran-3-yl)- 1,3-dimethylurea","","- C20 H20 F2 N2 O3 -","- C20 H20 F2 N2 O3 -","- C80 H80 F8 N8 O12 -","4","1","","Kise, Naoki; Hamada, Yusuke; Sakurai, Toshihiko","Electroreductive Intermolecular Coupling of Uracils with Aromatic Ketones: Synthesis of 6-Substituted and cis-5,6-Disubstituted 5,6-Dihydro-1,3-dimethyluracils and Their Transformation to 6-Substituted 1,3-Dimethyluracils, trans-5,6-Disubstituted 5,6-Dihydro-1,3-dimethyluracils, and 4,5,5-Trisubstituted 3-Methyloxazolizin-2-ones.","The Journal of organic chemistry","2016","81","12","5101","5119","10.1021/acs.joc.6b00670","","","0.71075","MoKα","","0.1197","0.0502","","","0.0751","0.0838","","","","","","0.998","","","","has coordinates","235320","2020-10-21","18:00:00",""
"4036842","10.7362","0.0016","16.569","0.003","20.68","0.003","90","","90","","90","","3678.7","1","298","2","298","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(R*)-N-methyl-2-((S*)-3-methyl-2-oxo-5,5-diphenyloxazolidin-4-yl)propanamide","","- C20 H22 N2 O3 -","- C20 H22 N2 O3 -","- C160 H176 N16 O24 -","8","2","","Kise, Naoki; Hamada, Yusuke; Sakurai, Toshihiko","Electroreductive Intermolecular Coupling of Uracils with Aromatic Ketones: Synthesis of 6-Substituted and cis-5,6-Disubstituted 5,6-Dihydro-1,3-dimethyluracils and Their Transformation to 6-Substituted 1,3-Dimethyluracils, trans-5,6-Disubstituted 5,6-Dihydro-1,3-dimethyluracils, and 4,5,5-Trisubstituted 3-Methyloxazolizin-2-ones.","The Journal of organic chemistry","2016","81","12","5101","5119","10.1021/acs.joc.6b00670","","","0.71075","MoKα","","0.1908","0.0382","","","0.0419","0.0542","","","","","","0.717","","","","has coordinates","235322","2020-10-21","18:00:00",""
"4036843","8.26","0.004","18.897","0.006","12.043","0.005","90","","95.106","0.016","90","","1872.3","1.3","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(5R*,6S*)-6-(hydroxydiphenylmethyl)-1,3,5-trimethyldihydropyrimidine-2,4(1H,3H)-dione","","- C20 H22 N2 O3 -","- C20 H22 N2 O3 -","- C80 H88 N8 O12 -","4","1","","Kise, Naoki; Hamada, Yusuke; Sakurai, Toshihiko","Electroreductive Intermolecular Coupling of Uracils with Aromatic Ketones: Synthesis of 6-Substituted and cis-5,6-Disubstituted 5,6-Dihydro-1,3-dimethyluracils and Their Transformation to 6-Substituted 1,3-Dimethyluracils, trans-5,6-Disubstituted 5,6-Dihydro-1,3-dimethyluracils, and 4,5,5-Trisubstituted 3-Methyloxazolizin-2-ones.","The Journal of organic chemistry","2016","81","12","5101","5119","10.1021/acs.joc.6b00670","","","0.71075","MoKα","","0.1107","0.0678","","","0.1899","0.2089","","","","","","0.993","","","","has coordinates","235323","2020-10-21","18:00:00",""
"4036844","8.1369","0.0008","10.1728","0.001","13.7021","0.0012","84.082","0.004","87.926","0.005","77.438","0.004","1101.03","0.18","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","1,3-dimethyl-6-(9-((trimethylsilyl)oxy)-9H-xanthen-9-yl)dihydropyrimidine-2,4(1H,3H)-dione","","- C22 H26 N2 O4 Si -","- C22 H26 N2 O4 Si -","- C44 H52 N4 O8 Si2 -","2","1","","Kise, Naoki; Hamada, Yusuke; Sakurai, Toshihiko","Electroreductive Intermolecular Coupling of Uracils with Aromatic Ketones: Synthesis of 6-Substituted and cis-5,6-Disubstituted 5,6-Dihydro-1,3-dimethyluracils and Their Transformation to 6-Substituted 1,3-Dimethyluracils, trans-5,6-Disubstituted 5,6-Dihydro-1,3-dimethyluracils, and 4,5,5-Trisubstituted 3-Methyloxazolizin-2-ones.","The Journal of organic chemistry","2016","81","12","5101","5119","10.1021/acs.joc.6b00670","","","0.71075","MoKα","","0.0857","0.0451","","","0.0955","0.1031","","","","","","1.023","","","","has coordinates","235324","2020-10-21","18:00:00",""
"4036845","19.517","0.012","8.28","0.005","27.462","0.016","90","","99.85","0.03","90","","4372","5","298","2","298","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","2-(5,5-bis(4-methoxyphenyl)-3-methyl-2-oxooxazolidin-4-yl)-N-methylacetamide","","- C21 H24 N2 O5 -","- C21 H24 N2 O5 -","- C168 H192 N16 O40 -","8","1","","Kise, Naoki; Hamada, Yusuke; Sakurai, Toshihiko","Electroreductive Intermolecular Coupling of Uracils with Aromatic Ketones: Synthesis of 6-Substituted and cis-5,6-Disubstituted 5,6-Dihydro-1,3-dimethyluracils and Their Transformation to 6-Substituted 1,3-Dimethyluracils, trans-5,6-Disubstituted 5,6-Dihydro-1,3-dimethyluracils, and 4,5,5-Trisubstituted 3-Methyloxazolizin-2-ones.","The Journal of organic chemistry","2016","81","12","5101","5119","10.1021/acs.joc.6b00670","","","0.71075","MoKα","","0.1466","0.0964","","","0.2723","0.3028","","","","","","1.02","","","","has coordinates","235325","2020-10-21","18:00:00",""
"4036846","11.4069","0.0014","15.9194","0.0016","19.673","0.002","90","","94.737","0.005","90","","3560.2","0.7","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","6-(bis(4-fluorophenyl)(hydroxy)methyl)-1,3-dimethyldihydropyrimidine- 2,4(1H,3H)-dione","","- C19 H18 F2 N2 O3 -","- C19 H18 F2 N2 O3 -","- C152 H144 F16 N16 O24 -","8","2","","Kise, Naoki; Hamada, Yusuke; Sakurai, Toshihiko","Electroreductive Intermolecular Coupling of Uracils with Aromatic Ketones: Synthesis of 6-Substituted and cis-5,6-Disubstituted 5,6-Dihydro-1,3-dimethyluracils and Their Transformation to 6-Substituted 1,3-Dimethyluracils, trans-5,6-Disubstituted 5,6-Dihydro-1,3-dimethyluracils, and 4,5,5-Trisubstituted 3-Methyloxazolizin-2-ones.","The Journal of organic chemistry","2016","81","12","5101","5119","10.1021/acs.joc.6b00670","","","0.71075","MoKα","","0.1622","0.0512","","","0.0733","0.0853","","","","","","1.014","","","","has coordinates","235327","2020-10-21","18:00:00",""
"4036847","8.394","0.003","24.341","0.007","9.028","0.003","90","","84.55","0.03","90","","1836.2","1","298","2","298","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","(R*)-2-((S*)-5,5-bis(4-fluorophenyl)-3-methyl-2-oxooxazolidin-4-yl)-2- fluoro-N-methylacetamide","","- C19 H17 F3 N2 O3 -","- C19 H17 F3 N2 O3 -","- C76 H68 F12 N8 O12 -","4","1","","Kise, Naoki; Hamada, Yusuke; Sakurai, Toshihiko","Electroreductive Intermolecular Coupling of Uracils with Aromatic Ketones: Synthesis of 6-Substituted and cis-5,6-Disubstituted 5,6-Dihydro-1,3-dimethyluracils and Their Transformation to 6-Substituted 1,3-Dimethyluracils, trans-5,6-Disubstituted 5,6-Dihydro-1,3-dimethyluracils, and 4,5,5-Trisubstituted 3-Methyloxazolizin-2-ones.","The Journal of organic chemistry","2016","81","12","5101","5119","10.1021/acs.joc.6b00670","","","0.71075","MoKα","","0.0687","0.0495","","","0.121","0.1295","","","","","","1.059","","","","has coordinates","235329","2020-10-21","18:00:00",""
"4036848","8.674","0.003","13.967","0.007","14.666","0.008","90","","91.24","0.04","90","","1776.4","1.5","298","2","298","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","(5R*,6S*)-5-fluoro-6-(5-hydroxy-10,11-dihydro-5H-dibenzo[a,d][7] annulen-5-yl)-1,3-dimethyldihydropyrimidine-2,4(1H,3H)-dione","","- C21 H21 F N2 O3 -","- C21 H21 F N2 O3 -","- C84 H84 F4 N8 O12 -","4","1","","Kise, Naoki; Hamada, Yusuke; Sakurai, Toshihiko","Electroreductive Intermolecular Coupling of Uracils with Aromatic Ketones: Synthesis of 6-Substituted and cis-5,6-Disubstituted 5,6-Dihydro-1,3-dimethyluracils and Their Transformation to 6-Substituted 1,3-Dimethyluracils, trans-5,6-Disubstituted 5,6-Dihydro-1,3-dimethyluracils, and 4,5,5-Trisubstituted 3-Methyloxazolizin-2-ones.","The Journal of organic chemistry","2016","81","12","5101","5119","10.1021/acs.joc.6b00670","","","0.71075","MoKα","","0.1198","0.0519","","","0.1117","0.1333","","","","","","0.945","","","","has coordinates","235330","2020-10-21","18:00:00",""
"4036849","11.0598","0.0009","11.3192","0.001","15.686","0.0018","84.975","0.003","79.047","0.004","72.569","0.004","1838.4","0.3","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","N-methyl-2-(3'-methyl-2'-oxospiro[dibenzo[a,d][7]annulene-5,5'-oxazolidin]- 4'-yl)acetamide","","- C21 H20 N2 O3 -","- C21 H20 N2 O3 -","- C84 H80 N8 O12 -","4","2","","Kise, Naoki; Hamada, Yusuke; Sakurai, Toshihiko","Electroreductive Intermolecular Coupling of Uracils with Aromatic Ketones: Synthesis of 6-Substituted and cis-5,6-Disubstituted 5,6-Dihydro-1,3-dimethyluracils and Their Transformation to 6-Substituted 1,3-Dimethyluracils, trans-5,6-Disubstituted 5,6-Dihydro-1,3-dimethyluracils, and 4,5,5-Trisubstituted 3-Methyloxazolizin-2-ones.","The Journal of organic chemistry","2016","81","12","5101","5119","10.1021/acs.joc.6b00670","","","0.71075","MoKα","","0.1373","0.0441","","","0.0618","0.07","","","","","","1.011","","","","has coordinates","235332","2020-10-21","18:00:00",""
"4036850","17.993","0.002","8.4777","0.0009","19.7049","0.0018","90","","90","","90","","3005.8","0.5","298","2","298","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","(5R*,6S*)-5-fluoro-6-((S*)-1-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl)-1,3- dimethyldihydropyrimidine-2,4(1H,3H)-dione","","- C16 H19 F N2 O3 -","- C16 H19 F N2 O3 -","- C128 H152 F8 N16 O24 -","8","1","","Kise, Naoki; Hamada, Yusuke; Sakurai, Toshihiko","Electroreductive Intermolecular Coupling of Uracils with Aromatic Ketones: Synthesis of 6-Substituted and cis-5,6-Disubstituted 5,6-Dihydro-1,3-dimethyluracils and Their Transformation to 6-Substituted 1,3-Dimethyluracils, trans-5,6-Disubstituted 5,6-Dihydro-1,3-dimethyluracils, and 4,5,5-Trisubstituted 3-Methyloxazolizin-2-ones.","The Journal of organic chemistry","2016","81","12","5101","5119","10.1021/acs.joc.6b00670","","","0.71075","MoKα","","0.084","0.045","","","0.073","0.0797","","","","","","0.997","","","","has coordinates","235333","2020-10-21","18:00:00",""
"4036851","10.753","0.013","6.215","0.007","20.39","0.03","90","","102.38","0.05","90","","1331","3","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(5R*,6S*)-5-fluoro-6-(1H-inden-3-yl)-1,3-dimethyldihydropyrimidine- 2,4(1H,3H)-dione","","- C15 H15 F N2 O2 -","- C15 H15 F N2 O2 -","- C60 H60 F4 N8 O8 -","4","1","","Kise, Naoki; Hamada, Yusuke; Sakurai, Toshihiko","Electroreductive Intermolecular Coupling of Uracils with Aromatic Ketones: Synthesis of 6-Substituted and cis-5,6-Disubstituted 5,6-Dihydro-1,3-dimethyluracils and Their Transformation to 6-Substituted 1,3-Dimethyluracils, trans-5,6-Disubstituted 5,6-Dihydro-1,3-dimethyluracils, and 4,5,5-Trisubstituted 3-Methyloxazolizin-2-ones.","The Journal of organic chemistry","2016","81","12","5101","5119","10.1021/acs.joc.6b00670","","","0.71075","MoKα","","0.0825","0.0427","","","0.0963","0.106","","","","","","1.003","","","","has coordinates","235335","2020-10-21","18:00:00",""
"4036852","7.1916","0.0006","10.6894","0.0008","11.9335","0.0009","74.19","0.001","84.968","0.002","89.976","0.002","879","0.12","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","","","- C24 H16 O S -","- C24 H16 O S -","- C48 H32 O2 S2 -","2","1","","Wu, Ya-Nan; Fu, Rong; Wang, Nan-Nan; Hao, Wen-Juan; Li, Guigen; Tu, Shu-Jiang; Jiang, Bo","Catalytic Sulfur-Enabled Dehydrobicyclization of 1,6-Enynes toward Arylated Indeno[1,2-c]thiophenes.","The Journal of organic chemistry","2016","81","11","4762","4770","10.1021/acs.joc.6b00692","","","0.71073","MoKα","","0.1183","0.0602","","","0.1002","0.1119","","","","","","1.073","","","","has coordinates","235337","2020-10-21","18:00:00",""
"4036853","12.5422","0.0005","15.4562","0.0006","16.4857","0.0006","90","","90","","90","","3195.8","0.2","100","2","100","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C19 H21 N O3 -","- C19 H20.5 N O3 -","- C152 H164 N8 O24 -","8","2","","Markad, Shivaji B.; Argade, Narshinha P.","Biomimetic Collective Total Synthesis of Bioactive Carbazole Alkaloids Indizoline, Mafaicheenamine A, Claulamine A, Claulansine A, and the Proposed Claulamine E.","The Journal of organic chemistry","2016","81","12","5222","5227","10.1021/acs.joc.6b00702","","","0.71073","MoKα","","0.1064","0.0863","","","0.2109","0.229","","","","","","1.033","","","","has coordinates","253039","2020-10-21","18:00:00",""
"4036854","9.3985","0.0019","9.9","0.002","10.611","0.002","76.87","0.03","83.63","0.03","74","0.03","923","0.4","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C18 H19 Cl2 N O2 S -","- C18 H19 Cl2 N O2 S -","- C36 H38 Cl4 N2 O4 S2 -","2","1","","Liu, Gong-Qing; Cui, Bin; Xu, Rong; Li, Yue-Ming","Preparation of trans-2-Substituted-4-halopiperidines and cis-2-Substituted-4-halotetrahydropyrans via AlCl3-Catalyzed Prins Reaction.","The Journal of organic chemistry","2016","81","12","5144","5161","10.1021/acs.joc.6b00725","","","0.71073","MoKα","","0.0939","0.0452","","","0.0933","0.1064","","","","","","1.013","","","","has coordinates","235341","2020-10-21","18:00:00",""
"4036855","6.4043","0.0013","7.3316","0.0015","19.67","0.004","92.49","0.03","92.8","0.03","91.6","0.03","921.2","0.3","113","2","113.15","","","","","","","","","6","P -1","-P 1","2","","","","- C18 H19 Br N2 O4 S -","- C18 H19 Br N2 O4 S -","- C36 H38 Br2 N4 O8 S2 -","2","1","","Liu, Gong-Qing; Cui, Bin; Xu, Rong; Li, Yue-Ming","Preparation of trans-2-Substituted-4-halopiperidines and cis-2-Substituted-4-halotetrahydropyrans via AlCl3-Catalyzed Prins Reaction.","The Journal of organic chemistry","2016","81","12","5144","5161","10.1021/acs.joc.6b00725","","","0.71073","MoKα","","0.0996","0.0785","","","0.2315","0.2674","","","","","","1.048","","","","has coordinates","235341","2020-10-21","18:00:00",""
"4036856","14.265","0.003","13.867","0.003","9.5232","0.0019","90","","90","","90","","1883.8","0.7","113","2","113","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C17 H26 I N O2 S -","- C17 H26 I N O2 S -","- C68 H104 I4 N4 O8 S4 -","4","1","","Liu, Gong-Qing; Cui, Bin; Xu, Rong; Li, Yue-Ming","Preparation of trans-2-Substituted-4-halopiperidines and cis-2-Substituted-4-halotetrahydropyrans via AlCl3-Catalyzed Prins Reaction.","The Journal of organic chemistry","2016","81","12","5144","5161","10.1021/acs.joc.6b00725","","","0.71073","MoKα","","0.047","0.0394","","","0.0918","0.0974","","","","","","1.081","","","","has coordinates","235341","2020-10-21","18:00:00",""
"4036857","12.814","0.003","9.4243","0.0019","14.152","0.003","90","","95.24","0.03","90","","1701.9","0.6","113","2","113","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C18 H19 F2 N O2 S -","- C18 H19 F2 N O2 S -","- C72 H76 F8 N4 O8 S4 -","4","1","","Liu, Gong-Qing; Cui, Bin; Xu, Rong; Li, Yue-Ming","Preparation of trans-2-Substituted-4-halopiperidines and cis-2-Substituted-4-halotetrahydropyrans via AlCl3-Catalyzed Prins Reaction.","The Journal of organic chemistry","2016","81","12","5144","5161","10.1021/acs.joc.6b00725","","","0.71073","MoKα","","0.0527","0.0423","","","0.1124","0.1196","","","","","","1.071","","","","has coordinates","235341","2020-10-21","18:00:00",""
"4036858","6.903","0.002","8.862","0.003","9.524","0.003","74.756","0.017","84.1","0.02","82.37","0.02","555.7","0.3","113","2","113","2","","","","","","","","5","P -1","-P 1","2","","","","- C11 H12 Cl N O3 -","- C11 H12 Cl N O3 -","- C22 H24 Cl2 N2 O6 -","2","1","","Liu, Gong-Qing; Cui, Bin; Xu, Rong; Li, Yue-Ming","Preparation of trans-2-Substituted-4-halopiperidines and cis-2-Substituted-4-halotetrahydropyrans via AlCl3-Catalyzed Prins Reaction.","The Journal of organic chemistry","2016","81","12","5144","5161","10.1021/acs.joc.6b00725","","","0.71073","MoKα","","0.0521","0.049","","","0.1665","0.1737","","","","","","1.072","","","","has coordinates","235341","2020-10-21","18:00:00",""
"4036859","10.351","0.003","7.7827","0.0018","11.328","0.003","90","","103.741","0.003","90","","886.5","0.4","150","","150","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C20 H24 O6 -","- C20 H24 O6 -","- C40 H48 O12 -","2","1","","Jarhad, Dnyandev B.; Singh, Vishwakarma","π(4)s + π(2)s Cycloaddition of Spiroepoxycyclohexa-2,4-dienone, Radical Cyclization, and Oxidation-Aldol-Oxidation Cascade: Synthesis of BCDE Ring of Atropurpuran.","The Journal of organic chemistry","2016","81","10","4304","4309","10.1021/acs.joc.6b00728","","","0.7107","MoKα","","","0.0418","","","","0.1222","","","","","","0.678","","","","has coordinates","235343","2020-10-21","18:00:00",""
"4036860","7.675","0.0003","10.0757","0.0004","12.4531","0.0005","87.781","0.003","84.683","0.003","82.145","0.003","949.54","0.07","179.98","0.1","179.98","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C22 H25 N O4 -","- C22 H25 N O4 -","- C44 H50 N2 O8 -","2","1","","Kenny, Miles; Kitson, Daniel J.; Franckevičius, Vilius","Catalytic Chemo- and Regioselective Coupling of 1,3-Dicarbonyls with N-Heterocyclic Nucleophiles.","The Journal of organic chemistry","2016","81","12","5162","5172","10.1021/acs.joc.6b00731","","x-ray","1.54184","CuKα","","0.0433","0.0416","","","0.1085","0.1101","","","","","","1.048","","","","has coordinates,has disorder","235345","2020-10-21","18:00:00",""
"4036861","6.752","0.0002","8.3609","0.0002","13.8172","0.0003","85.356","0.002","85.858","0.002","80.981","0.002","766.44","0.03","99.9","0.2","99.9","0.2","","","","","","","","4","P -1","-P 1","2","","","","- C17 H21 N O4 -","- C17 H21 N O4 -","- C34 H42 N2 O8 -","2","1","","Kenny, Miles; Kitson, Daniel J.; Franckevičius, Vilius","Catalytic Chemo- and Regioselective Coupling of 1,3-Dicarbonyls with N-Heterocyclic Nucleophiles.","The Journal of organic chemistry","2016","81","12","5162","5172","10.1021/acs.joc.6b00731","","x-ray","1.54184","CuKα","","0.0343","0.0332","","","0.0853","0.0861","","","","","","1.037","","","","has coordinates","235346","2020-10-21","18:00:00",""
"4036862","17.4991","0.0009","14.1069","0.0006","17.6306","0.0008","90","","90","","90","","4352.3","0.4","296","2","296","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C27 H23 N O3 -","- C27 H23 N O3 -","- C216 H184 N8 O24 -","8","1","","Miao, Maozhong; Luo, Yi; Li, Hongli; Xu, Xin; Chen, Zhengkai; Xu, Jianfeng; Ren, Hongjun","Lewis Acid Catalyzed Regiospecific Cross-Dehydrative Coupling Reaction of 2-Furylcarbinols with β-Keto Amides or 4-Hydroxycoumarins: A Route to Furyl Enols.","The Journal of organic chemistry","2016","81","12","5228","5235","10.1021/acs.joc.6b00734","","","0.71073","MoKα","","0.1038","0.0529","","","0.1239","0.1623","","","","","","1.042","","","","has coordinates","235348","2020-10-21","18:00:00",""
"4036863","10.3383","0.0005","20.1446","0.0009","10.3452","0.0005","90","","111.134","0.002","90","","2009.59","0.17","296","2","296","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C26 H18 O4 -","- C26 H18 O4 -","- C104 H72 O16 -","4","1","","Miao, Maozhong; Luo, Yi; Li, Hongli; Xu, Xin; Chen, Zhengkai; Xu, Jianfeng; Ren, Hongjun","Lewis Acid Catalyzed Regiospecific Cross-Dehydrative Coupling Reaction of 2-Furylcarbinols with β-Keto Amides or 4-Hydroxycoumarins: A Route to Furyl Enols.","The Journal of organic chemistry","2016","81","12","5228","5235","10.1021/acs.joc.6b00734","","","0.71073","MoKα","","0.0933","0.0467","","","0.1082","0.1318","","","","","","1.001","","","","has coordinates","235350","2020-10-21","18:00:00",""
"4036864","10.715","0.002","25.322","0.005","17.325","0.003","90","","98.73","0.03","90","","4646.2","1.5","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C27 H21 N O2 S2 -","- C27 H21 N O2 S2 -","- C216 H168 N8 O16 S16 -","8","2","","Ziyaei Halimehjani, Azim; Khoshdoun, Maryam","Tandem Esterification/1,4-Addition-Type Friedel-Crafts Alkylation Reactions of Phenols/Naphthols with Olefinic Thioazlactones: Access to Functionalized 1,2-Dihydrobenzo[f]chromen-3-ones and 3,4-Dihydrochromen-2-ones.","The Journal of organic chemistry","2016","81","13","5699","5704","10.1021/acs.joc.6b00740","","","0.71073","MoKα","","0.3016","0.0412","","","0.058","0.1085","","","","","","0.436","","","","has coordinates","235352","2020-10-21","18:00:00",""
"4036865","9.0244","0.0003","9.8981","0.0003","15.4496","0.0005","86.259","0.006","75.911","0.005","80.033","0.006","1317.93","0.08","123","","123","","","","","","","","","4","P -1","-P 1","2","","","","- C34 H33 N O2 -","- C34 H33 N O2 -","- C68 H66 N2 O4 -","2","1","","Tanimoto, Hiroki; Shitaoka, Takashi; Yokoyama, Keiichi; Morimoto, Tsumoru; Nishiyama, Yasuhiro; Kakiuchi, Kiyomi","Formal [3+2] Cycloaddition of Nitrosoallenes with Carbonyl and Nitrile Compounds to Form Functional Cyclic Nitrones.","The Journal of organic chemistry","2016","81","19","8722","8735","10.1021/acs.joc.6b00758","","","0.71075","MoKα","","0.0591","0.0542","","","0.1391","0.1431","","","","","","1.047","","","","has coordinates","235355","2020-10-21","18:00:00",""
"4036866","14.7141","0.0005","17.5011","0.0006","10.6302","0.0003","90","","97.552","0.007","90","","2713.67","0.16","123","","123","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C34 H33 N O2 -","- C34 H33 N O2 -","- C136 H132 N4 O8 -","4","1","","Tanimoto, Hiroki; Shitaoka, Takashi; Yokoyama, Keiichi; Morimoto, Tsumoru; Nishiyama, Yasuhiro; Kakiuchi, Kiyomi","Formal [3+2] Cycloaddition of Nitrosoallenes with Carbonyl and Nitrile Compounds to Form Functional Cyclic Nitrones.","The Journal of organic chemistry","2016","81","19","8722","8735","10.1021/acs.joc.6b00758","","","0.71075","MoKα","","0.1026","0.0561","","","0.1027","0.117","","","","","","1.019","","","","has coordinates","235355","2020-10-21","18:00:00",""
"4036867","11.4987","0.0002","18.6651","0.0003","9.82023","0.00018","90","","104.667","0.0007","90","","2038.98","0.06","123","","123","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C25 H27 N O3 -","- C25 H27 N O3 -","- C100 H108 N4 O12 -","4","1","","Tanimoto, Hiroki; Shitaoka, Takashi; Yokoyama, Keiichi; Morimoto, Tsumoru; Nishiyama, Yasuhiro; Kakiuchi, Kiyomi","Formal [3+2] Cycloaddition of Nitrosoallenes with Carbonyl and Nitrile Compounds to Form Functional Cyclic Nitrones.","The Journal of organic chemistry","2016","81","19","8722","8735","10.1021/acs.joc.6b00758","","","0.71075","MoKα","","0.0577","0.0465","","","0.118","0.124","","","","","","1.1","","","","has coordinates","235355","2020-10-21","18:00:00",""
"4036868","11.3779","0.0002","12.698","0.0002","15.0931","0.0003","90","","92.272","0.007","90","","2178.89","0.07","123","","123","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C26 H29 N O3 -","- C26 H29 N O3 -","- C104 H116 N4 O12 -","4","1","","Tanimoto, Hiroki; Shitaoka, Takashi; Yokoyama, Keiichi; Morimoto, Tsumoru; Nishiyama, Yasuhiro; Kakiuchi, Kiyomi","Formal [3+2] Cycloaddition of Nitrosoallenes with Carbonyl and Nitrile Compounds to Form Functional Cyclic Nitrones.","The Journal of organic chemistry","2016","81","19","8722","8735","10.1021/acs.joc.6b00758","","","0.71075","MoKα","","0.0429","0.0366","","","0.0881","0.0914","","","","","","1.034","","","","has coordinates","235355","2020-10-21","18:00:00",""
"4036869","8.31353","0.00015","15.2799","0.0003","16.3755","0.0003","90","","102.153","0.007","90","","2033.56","0.08","123","","123","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C25 H27 N O3 -","- C25 H27 N O3 -","- C100 H108 N4 O12 -","4","1","","Tanimoto, Hiroki; Shitaoka, Takashi; Yokoyama, Keiichi; Morimoto, Tsumoru; Nishiyama, Yasuhiro; Kakiuchi, Kiyomi","Formal [3+2] Cycloaddition of Nitrosoallenes with Carbonyl and Nitrile Compounds to Form Functional Cyclic Nitrones.","The Journal of organic chemistry","2016","81","19","8722","8735","10.1021/acs.joc.6b00758","","","0.71075","MoKα","","0.0432","0.0372","","","0.0898","0.0928","","","","","","1.047","","","","has coordinates","235355","2020-10-21","18:00:00",""
"4036870","10.2498","0.0003","11.1701","0.0003","12.3055","0.0003","110.329","0.0008","106.576","0.0008","94.1935","0.0008","1242.75","0.06","123","","123","","","","","","","","","4","P -1","-P 1","2","","","","- C29 H28 N2 O5 -","- C29 H28 N2 O5 -","- C58 H56 N4 O10 -","2","1","","Tanimoto, Hiroki; Shitaoka, Takashi; Yokoyama, Keiichi; Morimoto, Tsumoru; Nishiyama, Yasuhiro; Kakiuchi, Kiyomi","Formal [3+2] Cycloaddition of Nitrosoallenes with Carbonyl and Nitrile Compounds to Form Functional Cyclic Nitrones.","The Journal of organic chemistry","2016","81","19","8722","8735","10.1021/acs.joc.6b00758","","","0.71075","MoKα","","0.0403","0.0362","","","0.0942","0.0971","","","","","","1.074","","","","has coordinates","235355","2020-10-21","18:00:00",""
"4036871","10.51957","0.00019","10.61682","0.00019","11.9118","0.0002","72.9557","0.0007","71.8991","0.0007","66.7618","0.0007","1139.57","0.04","123","","123","","","","","","","","","4","P -1","-P 1","2","","","","- C26 H27 N O6 -","- C26 H27 N O6 -","- C52 H54 N2 O12 -","2","1","","Tanimoto, Hiroki; Shitaoka, Takashi; Yokoyama, Keiichi; Morimoto, Tsumoru; Nishiyama, Yasuhiro; Kakiuchi, Kiyomi","Formal [3+2] Cycloaddition of Nitrosoallenes with Carbonyl and Nitrile Compounds to Form Functional Cyclic Nitrones.","The Journal of organic chemistry","2016","81","19","8722","8735","10.1021/acs.joc.6b00758","","","0.71075","MoKα","","0.0388","0.0351","","","0.0902","0.0946","","","","","","1.093","","","","has coordinates","235355","2020-10-21","18:00:00",""
"4036872","9.28844","0.00017","9.16769","0.00017","24.8234","0.0005","90","","99.04","0.007","90","","2087.54","0.08","123","","123","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C25 H27 N O3 -","- C25 H27 N O3 -","- C100 H108 N4 O12 -","4","1","","Tanimoto, Hiroki; Shitaoka, Takashi; Yokoyama, Keiichi; Morimoto, Tsumoru; Nishiyama, Yasuhiro; Kakiuchi, Kiyomi","Formal [3+2] Cycloaddition of Nitrosoallenes with Carbonyl and Nitrile Compounds to Form Functional Cyclic Nitrones.","The Journal of organic chemistry","2016","81","19","8722","8735","10.1021/acs.joc.6b00758","","","0.71075","MoKα","","0.0575","0.0527","","","0.133","0.1363","","","","","","1.021","","","","has coordinates","235355","2020-10-21","18:00:00",""
"4036873","9.51596","0.00017","10.64683","0.00019","11.5346","0.0002","78.85","0.006","83.687","0.006","71.797","0.005","1087.65","0.05","123","","123","","","","","","","","","4","P -1","-P 1","2","","","","- C26 H28 N2 O3 -","- C26 H28 N2 O3 -","- C52 H56 N4 O6 -","2","1","","Tanimoto, Hiroki; Shitaoka, Takashi; Yokoyama, Keiichi; Morimoto, Tsumoru; Nishiyama, Yasuhiro; Kakiuchi, Kiyomi","Formal [3+2] Cycloaddition of Nitrosoallenes with Carbonyl and Nitrile Compounds to Form Functional Cyclic Nitrones.","The Journal of organic chemistry","2016","81","19","8722","8735","10.1021/acs.joc.6b00758","","","0.71075","MoKα","","0.0396","0.0361","","","0.0895","0.0917","","","","","","1.022","","","","has coordinates","235355","2020-10-21","18:00:00",""
"4036874","9.58019","0.00017","13.2112","0.0002","19.0309","0.0004","90","","90","","90","","2408.66","0.08","123","","123","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C31 H23 N3 O -","- C31 H23 N3 O -","- C124 H92 N12 O4 -","4","1","","Tanimoto, Hiroki; Shitaoka, Takashi; Yokoyama, Keiichi; Morimoto, Tsumoru; Nishiyama, Yasuhiro; Kakiuchi, Kiyomi","Formal [3+2] Cycloaddition of Nitrosoallenes with Carbonyl and Nitrile Compounds to Form Functional Cyclic Nitrones.","The Journal of organic chemistry","2016","81","19","8722","8735","10.1021/acs.joc.6b00758","","","0.71075","MoKα","","0.0306","0.0289","","","0.0701","0.0709","","","","","","1.047","","","","has coordinates","235355","2020-10-21","18:00:00",""
"4036875","11.6225","0.0003","13.6984","0.0003","15.3427","0.0004","90","","102.966","0.007","90","","2380.43","0.12","123","","123","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C29 H26 N2 O3 -","- C29 H26 N2 O3 -","- C116 H104 N8 O12 -","4","1","","Tanimoto, Hiroki; Shitaoka, Takashi; Yokoyama, Keiichi; Morimoto, Tsumoru; Nishiyama, Yasuhiro; Kakiuchi, Kiyomi","Formal [3+2] Cycloaddition of Nitrosoallenes with Carbonyl and Nitrile Compounds to Form Functional Cyclic Nitrones.","The Journal of organic chemistry","2016","81","19","8722","8735","10.1021/acs.joc.6b00758","","","0.71075","MoKα","","0.0846","0.0698","","","0.1581","0.1659","","","","","","1.093","","","","has coordinates,has disorder","235355","2020-10-21","18:00:00",""
"4036876","24.3312","0.0004","9.41875","0.00017","21.1358","0.0004","90","","116.324","0.0007","90","","4341.39","0.14","123","","123","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C25 H27 N O5 -","- C25 H27 N O5 -","- C200 H216 N8 O40 -","8","2","","Tanimoto, Hiroki; Shitaoka, Takashi; Yokoyama, Keiichi; Morimoto, Tsumoru; Nishiyama, Yasuhiro; Kakiuchi, Kiyomi","Formal [3+2] Cycloaddition of Nitrosoallenes with Carbonyl and Nitrile Compounds to Form Functional Cyclic Nitrones.","The Journal of organic chemistry","2016","81","19","8722","8735","10.1021/acs.joc.6b00758","","","0.71075","MoKα","","0.0471","0.0383","","","0.09","0.0943","","","","","","1.063","","","","has coordinates","235355","2020-10-21","18:00:00",""
"4036877","22.5932","0.0004","9.89595","0.00019","9.79336","0.00018","90","","90","","90","","2189.61","0.07","123","","123","","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C25 H27 N O5 -","- C25 H27 N O5 -","- C100 H108 N4 O20 -","4","1","","Tanimoto, Hiroki; Shitaoka, Takashi; Yokoyama, Keiichi; Morimoto, Tsumoru; Nishiyama, Yasuhiro; Kakiuchi, Kiyomi","Formal [3+2] Cycloaddition of Nitrosoallenes with Carbonyl and Nitrile Compounds to Form Functional Cyclic Nitrones.","The Journal of organic chemistry","2016","81","19","8722","8735","10.1021/acs.joc.6b00758","","","0.71075","MoKα","","0.0323","0.0295","","","0.0721","0.0737","","","","","","1.076","","","","has coordinates","235355","2020-10-21","18:00:00",""
"4036878","11.3435","0.0003","15.0588","0.0005","20.0689","0.0006","105.66","0.001","100.493","0.001","99.598","0.001","3160.2","0.17","100","2","100","2","","","","","","","","5","P 1","P 1","1","","","","- C111.3 H139.9 N8 O58.5 S4.65 -","- C111.3 H139.9 N8 O58.5 S4.65 -","- C111.3 H139.9 N8 O58.5 S4.65 -","1","1","","Lichosyt, Dawid; Wasiłek, Sylwia; Jurczak, Janusz","Exploring the Chiral Recognition of Carboxylates by C2-Symmetric Receptors Bearing Glucosamine Pendant Arms.","The Journal of organic chemistry","2016","81","17","7342","7348","10.1021/acs.joc.6b00763","","","1.54178","CuKα","","0.0432","0.0417","","","0.1099","0.1114","","","","","","1.041","","","","has coordinates,has disorder","235357","2020-10-21","18:00:00",""
"4036879","14.8093","0.0006","15.1888","0.0008","15.3003","0.0005","112.578","0.004","103.373","0.003","110.69","0.004","2691.3","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C52 H58 K2 N2 O17 -","- C52 H58 K2 N2 O17 -","- C104 H116 K4 N4 O34 -","2","1","","Krivec, Marko; Perdih, Franc; Košmrlj, Janez; Kočevar, Marijan","Regioselective Hydrolysis and Transesterification of Dimethyl 3-Benzamidophthalates Assisted by a Neighboring Amide Group.","The Journal of organic chemistry","2016","81","13","5732","5739","10.1021/acs.joc.6b00765","","","0.71073","MoKα","","0.0861","0.0539","","","0.1379","0.1633","","","","","","1.036","","","","has coordinates","235358","2020-10-21","18:00:00",""
"4036880","9.71","0.01","5.98","0.004","24.309","0.015","90","","92.459","0.016","90","","1410.2","1.9","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C36 H36 N2 -","- C36 H36 N2 -","- C72 H72 N4 -","2","0.5","","Sanna, Elena; Escudero-Adán, Eduardo C; López, Carlos; Ballester, Pablo; Rotger, Carmen; Costa, Antonio","Macrocyclic Tetraimines: Synthesis and Reversible Uptake of Diethyl Phthalate by a Porous Macrocycle.","The Journal of organic chemistry","2016","81","12","5173","5180","10.1021/acs.joc.6b00768","","","0.7107","MoKα","","0.1611","0.084","","","0.194","0.2341","","","","","","0.849","","","","has coordinates","235359","2020-10-21","18:00:00",""
"4036881","10.9226","0.0008","10.4233","0.0009","20.7193","0.0017","90","","97.876","0.003","90","","2336.6","0.3","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C60 H60 N4 -","- C60 H60 N4 -","- C120 H120 N8 -","2","0.5","","Sanna, Elena; Escudero-Adán, Eduardo C; López, Carlos; Ballester, Pablo; Rotger, Carmen; Costa, Antonio","Macrocyclic Tetraimines: Synthesis and Reversible Uptake of Diethyl Phthalate by a Porous Macrocycle.","The Journal of organic chemistry","2016","81","12","5173","5180","10.1021/acs.joc.6b00768","","","0.71073","MoKα","","0.1278","0.0674","","","0.1751","0.2043","","","","","","1.052","","","","has coordinates","235360","2020-10-21","18:00:00",""
"4036882","10.7852","0.0003","13.2851","0.0004","28.0787","0.0008","103.104","0.003","90.658","0.002","103.73","0.003","3797.4","0.2","99.9","0.5","99.9","0.5","","","","","","","","3","P -1","-P 1","2","","","","- C12 H21 O5.5 -","- C12 H21 O5.5 -","- C144 H252 O66 -","12","6","","Wang, Jian; Tong, Rongbiao","Total Synthesis of Purported Cephalosporolides H and I, Penisporolide B, and Their Stereoisomers.","The Journal of organic chemistry","2016","81","10","4325","4339","10.1021/acs.joc.6b00788","","x-ray","1.54184","CuKα","","0.0495","0.0454","","","0.1183","0.1217","","","","","","1","","","","has coordinates,has disorder","235362","2020-10-21","18:00:00",""
"4036883","8.05049","0.00008","11.4387","0.00012","12.60616","0.00016","90","","90","","90","","1160.87","0.02","99.9","0.5","99.9","0.5","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C12 H20 O4 -","- C12 H20 O4 -","- C48 H80 O16 -","4","1","","Wang, Jian; Tong, Rongbiao","Total Synthesis of Purported Cephalosporolides H and I, Penisporolide B, and Their Stereoisomers.","The Journal of organic chemistry","2016","81","10","4325","4339","10.1021/acs.joc.6b00788","","x-ray","1.54184","CuKα","","0.0252","0.024","","","0.061","0.0622","","","","","","1.002","","","","has coordinates","235363","2020-10-21","18:00:00",""
"4036884","16.80683","0.00018","14.18677","0.00016","10.38483","0.00011","90","","90","","90","","2476.1","0.05","99.9","0.5","100","2","","","","","","","","3","P b c n","-P 2n 2ab","60","","","","- C12 H20 O5 -","- C12 H20 O5 -","- C96 H160 O40 -","8","1","","Wang, Jian; Tong, Rongbiao","Total Synthesis of Purported Cephalosporolides H and I, Penisporolide B, and Their Stereoisomers.","The Journal of organic chemistry","2016","81","10","4325","4339","10.1021/acs.joc.6b00788","","x-ray","1.54184","CuKα","","0.0318","0.0291","","","0.0739","0.0758","","","","","","1.003","","","","has coordinates","235364","2020-10-21","18:00:00",""
"4036885","9.58732","0.00015","7.56398","0.00014","16.239","0.0004","90","","90","","90","","1177.62","0.04","99.9","0.5","99.9","0.5","","","","","","","","3","P c a 21","P 2c -2ac","29","","","","- C12 H18 O4 -","- C12 H18 O4 -","- C48 H72 O16 -","4","1","","Wang, Jian; Tong, Rongbiao","Total Synthesis of Purported Cephalosporolides H and I, Penisporolide B, and Their Stereoisomers.","The Journal of organic chemistry","2016","81","10","4325","4339","10.1021/acs.joc.6b00788","","x-ray","1.54184","CuKα","","0.0266","0.0251","","","0.0599","0.061","","","","","","1","","","","has coordinates","235365","2020-10-21","18:00:00",""
"4036886","11.6494","0.0002","10.45558","0.00017","9.88362","0.00018","90","","105.735","0.0019","90","","1158.73","0.04","100.2","0.9","100.2","0.9","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C12 H18 O4 -","- C12 H18 O4 -","- C48 H72 O16 -","4","1","","Wang, Jian; Tong, Rongbiao","Total Synthesis of Purported Cephalosporolides H and I, Penisporolide B, and Their Stereoisomers.","The Journal of organic chemistry","2016","81","10","4325","4339","10.1021/acs.joc.6b00788","","x-ray","1.54184","CuKα","","0.036","0.032","","","0.0865","0.0894","","","","","","1.001","","","","has coordinates","235366","2020-10-21","18:00:00",""
"4036887","8.1905","0.0003","22.699","0.0008","8.3591","0.0004","90","","108.004","0.005","90","","1478","0.11","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C18 H16 O5 -","- C18 H16 O5 -","- C72 H64 O20 -","4","1","","Chen, Kai; Wu, Feng; Ye, Lijuan; Tian, Zi-You; Yu, Zhi-Xiang; Zhu, Shifa","Cycloaddition Reaction of Vinylphenylfurans and Dimethyl Acetylenedicarboxylate to [8 + 2] Isomers via Tandem [4 + 2]/Diradical Alkene-Alkene Coupling/[1,3]-H Shift Reactions: Experimental Exploration and DFT Understanding of Reaction Mechanisms.","The Journal of organic chemistry","2016","81","18","8155","8168","10.1021/acs.joc.6b00792","","","1.54178","CuKα","","0.0477","0.0424","","","0.1335","0.1411","","","","","","1.065","","","","has coordinates","235367","2020-10-21","18:00:00",""
"4036888","7.7687","0.0004","8.5018","0.0005","13.4014","0.0008","78.673","0.005","80.463","0.005","63.227","0.005","771.83","0.08","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- C18 H18 O6 -","- C18 H18 O6 -","- C36 H36 O12 -","2","1","","Chen, Kai; Wu, Feng; Ye, Lijuan; Tian, Zi-You; Yu, Zhi-Xiang; Zhu, Shifa","Cycloaddition Reaction of Vinylphenylfurans and Dimethyl Acetylenedicarboxylate to [8 + 2] Isomers via Tandem [4 + 2]/Diradical Alkene-Alkene Coupling/[1,3]-H Shift Reactions: Experimental Exploration and DFT Understanding of Reaction Mechanisms.","The Journal of organic chemistry","2016","81","18","8155","8168","10.1021/acs.joc.6b00792","","","1.54178","CuKα","","0.0455","0.0415","","","0.1595","0.1695","","","","","","1.015","","","","has coordinates","235368","2020-10-21","18:00:00",""
"4036889","8.106","0.003","15.762","0.006","16.823","0.007","90","","97.437","0.005","90","","2131.3","1.4","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C24 H36 Si -","- C24 H36 Si -","- C96 H144 Si4 -","4","2","","Arii, Hidekazu; Yano, Yuto; Nakabayashi, Kenichi; Yamaguchi, Syuhei; Yamamura, Masaki; Mochida, Kunio; Kawashima, Takayuki","Regioselective and Stereospecific Dehydrogenative Annulation Utilizing Silylium Ion-Activated Alkenes.","The Journal of organic chemistry","2016","81","15","6314","6319","10.1021/acs.joc.6b00793","","","0.71075","MoKα","","0.0653","0.0507","","","0.1137","0.1252","","","","","","1.003","","","","has coordinates","255262","2020-10-21","18:00:00",""
"4036890","33.4222","0.0008","38.2066","0.0009","22.4745","0.0006","90","","103.762","0.003","90","","27874.9","1.2","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C59.27 H53.82 Cl4.36 O4.36 -","- C59.2727 Cl4.36364 O4.36364 -","- C1304 Cl96 O96 -","22","5.5","","Phulwale, Bhimrao Vaijnath; Mishra, Sushil Kumar; Nečas, Marek; Mazal, Ctibor","Phenanthrylene-butadiynylene and Phenanthrylene-thienylene Macrocycles: Synthesis, Structure, and Properties.","The Journal of organic chemistry","2016","81","15","6244","6252","10.1021/acs.joc.6b00814","","","0.71073","MoKα","","0.1758","0.1491","","","0.4316","0.4537","","","","","","1.935","","","","has coordinates,has disorder","235371","2020-10-21","18:00:00",""
"4036891","10.9766","0.0007","6.5881","0.0004","10.9953","0.0008","90","","107.557","0.002","90","","758.09","0.09","123","","123","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C22 H16 Fe -","- C22 H16 Fe -","- C44 H32 Fe2 -","2","1","","Shibata, Takanori; Uno, Ninna; Sasaki, Tomoya; Kanyiva, Kyalo Stephen","Pt-Catalyzed Enantioselective Cycloisomerization for the Synthesis of Planar-Chiral Ferrocene Derivatives.","The Journal of organic chemistry","2016","81","15","6266","6272","10.1021/acs.joc.6b00825","","","0.71075","MoKα","","0.0328","0.0294","","","0.0827","0.0941","","","","","","1.154","","","","has coordinates","235372","2020-10-21","18:00:00",""
"4036892","7.96672","0.00009","17.5832","0.0002","9.10756","0.00011","90","","90.6275","0.001","90","","1275.71","0.03","173","","173","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H13 N O -","- C17 H13 N O -","- C68 H52 N4 O4 -","4","1","","Liu, Yang; Lei, Kang; Liu, Na; Sun, Dong-Wei; Hua, Xue-Wen; Li, Ya-Juan; Xu, Xiao-Hua","Indium-Mediated Intramolecular Reaction of N-(2-Iodobenzoyl)azabenzonorbornadienes: A General Access to Dihydrobenzo[c]phenanthridinones.","The Journal of organic chemistry","2016","81","13","5495","5503","10.1021/acs.joc.6b00839","","x-ray","1.54184","CuKα","","0.0383","0.0374","","","0.1002","0.1011","","","","","","1.081","","","","has coordinates","235374","2020-10-21","18:00:00",""
"4036893","18.476","0.003","10.9715","0.0015","16.715","0.003","90","","105.311","0.002","90","","3268","0.9","173.15","","173.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H15 N O2 -","- C22 H15 N O2 -","- C176 H120 N8 O16 -","8","2","","Wen, Li-Rong; Man, Ning-Ning; Yuan, Wen-Kui; Li, Ming","Direct Construction of 2-Aryliminochromenes from Arynes, N,S-Keteneacetals, and DMF.","The Journal of organic chemistry","2016","81","14","5942","5948","10.1021/acs.joc.6b00843","","","0.71073","MoKα","","0.0706","0.0648","","","0.1514","0.1556","","","","","","1.163","","","","has coordinates","235376","2020-10-21","18:00:00",""
"4036894","11.2588","0.0009","12.7094","0.0011","8.3747","0.0007","90","","109.059","0.001","90","","1132.67","0.16","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","14233a","","","- C12 H6 F4 O2 S -","- C12 H6 F4 O2 S -","- C48 H24 F16 O8 S4 -","4","1","","Lemal, David M.","Cycloaddition Chemistry of Tetrafluorothiophene S,S-Dioxide.","The Journal of organic chemistry","2016","81","12","4931","4938","10.1021/acs.joc.6b00848","","","0.71073","MoKα","","0.0412","0.0318","","","0.0767","0.0827","","","","","","1.042","","","","has coordinates","235377","2020-10-21","18:00:00",""
"4036895","7.8097","0.0005","8.4203","0.0005","10.7272","0.0006","98.112","0.004","95.627","0.004","98.351","0.004","685.88","0.07","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C10 H5 Br F6 O3 S -","- C10 H5 Br F6 O3 S -","- C20 H10 Br2 F12 O6 S2 -","2","1","","Zhao, Yilong; Zhou, Yuhan; Liu, Juan; Yang, Dongmei; Tao, Liang; Liu, Yang; Dong, Xiaoliang; Liu, Jianhui; Qu, Jingping","Synthesis of (Z)-α-Trifluoromethyl Alkenyl Triflate: A Scaffold for Diverse Trifluoromethylated Species.","The Journal of organic chemistry","2016","81","11","4797","4806","10.1021/acs.joc.6b00855","","","0.71073","MoKα","","0.0523","0.0421","","","0.1277","0.134","","","","","","0.971","","","","has coordinates","235379","2020-10-21","18:00:00",""
"4036896","5.892","0.005","11.809","0.01","20.667","0.018","90","","90","","90","","1438","2","300","2","300","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H12 Cl F3 -","- C16 H12 Cl F3 -","- C64 H48 Cl4 F12 -","4","1","","Zhao, Yilong; Zhou, Yuhan; Liu, Juan; Yang, Dongmei; Tao, Liang; Liu, Yang; Dong, Xiaoliang; Liu, Jianhui; Qu, Jingping","Synthesis of (Z)-α-Trifluoromethyl Alkenyl Triflate: A Scaffold for Diverse Trifluoromethylated Species.","The Journal of organic chemistry","2016","81","11","4797","4806","10.1021/acs.joc.6b00855","","","0.71073","MoKα","","0.095","0.0549","","","0.1386","0.1527","","","","","","1.002","","","","has coordinates","235379","2020-10-21","18:00:00",""
"4036897","13.8918","0.0016","21.385","0.002","15.38","0.0018","90","","98.78","0.002","90","","4515.5","0.9","293","2","293","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C49 H43 B Br2 F2 N2 P2 Pd -","- C49 H43 B Br2 F2 N2 P2 Pd -","- C196 H172 B4 Br8 F8 N8 P8 Pd4 -","4","1","","Feng, Zeya; Jiao, Lijuan; Feng, Yuanmei; Yu, Changjiang; Chen, Na; Wei, Yun; Mu, Xiaolong; Hao, Erhong","Regioselective and Stepwise Syntheses of Functionalized BODIPY Dyes through Palladium-Catalyzed Cross-Coupling Reactions and Direct C-H Arylations.","The Journal of organic chemistry","2016","81","15","6281","6291","10.1021/acs.joc.6b00858","","","0.71073","MoKα","","0.1469","0.0668","","","0.1162","0.1394","","","","","","1.025","","","","has coordinates","235381","2020-10-21","18:00:00",""
"4036898","18.476","0.004","25.38","0.005","20.823","0.004","90","","107.773","0.002","90","","9298","3","293","2","293","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C90 H73 B Br4 F2 N2 P4 Pd2 -","- C90 H73 B Br4 F2 N2 P4 Pd2 -","- C360 H292 B4 Br16 F8 N8 P16 Pd8 -","4","1","","Feng, Zeya; Jiao, Lijuan; Feng, Yuanmei; Yu, Changjiang; Chen, Na; Wei, Yun; Mu, Xiaolong; Hao, Erhong","Regioselective and Stepwise Syntheses of Functionalized BODIPY Dyes through Palladium-Catalyzed Cross-Coupling Reactions and Direct C-H Arylations.","The Journal of organic chemistry","2016","81","15","6281","6291","10.1021/acs.joc.6b00858","","","0.71073","MoKα","","0.1108","0.0482","","","0.0668","0.0723","","","","","","1.085","","","","has coordinates","235382","2020-10-21","18:00:00",""
"4036899","10.6284","0.0009","21.6227","0.0018","9.5074","0.0008","90","","94.685","0.001","90","","2177.6","0.3","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C23 H13 B Br2 F2 N2 S2 -","- C23 H13 B Br2 F2 N2 S2 -","- C92 H52 B4 Br8 F8 N8 S8 -","4","1","","Feng, Zeya; Jiao, Lijuan; Feng, Yuanmei; Yu, Changjiang; Chen, Na; Wei, Yun; Mu, Xiaolong; Hao, Erhong","Regioselective and Stepwise Syntheses of Functionalized BODIPY Dyes through Palladium-Catalyzed Cross-Coupling Reactions and Direct C-H Arylations.","The Journal of organic chemistry","2016","81","15","6281","6291","10.1021/acs.joc.6b00858","","","0.71073","MoKα","","0.1245","0.0986","","","0.2783","0.3017","","","","","","1.074","","","","has coordinates","235385","2020-10-21","18:00:00",""
"4036900","8.09","0.0003","9.7183","0.0004","12.1016","0.0004","77.095","0.002","88.672","0.002","80.609","0.002","914.89","0.06","273","2","273","2","","","","","","","","7","P -1","-P 1","2","","","","- C17 H15 B Br2 F2 N2 S -","- C17 H15 B Br2 F2 N2 S -","- C34 H30 B2 Br4 F4 N4 S2 -","2","1","","Feng, Zeya; Jiao, Lijuan; Feng, Yuanmei; Yu, Changjiang; Chen, Na; Wei, Yun; Mu, Xiaolong; Hao, Erhong","Regioselective and Stepwise Syntheses of Functionalized BODIPY Dyes through Palladium-Catalyzed Cross-Coupling Reactions and Direct C-H Arylations.","The Journal of organic chemistry","2016","81","15","6281","6291","10.1021/acs.joc.6b00858","","","0.71073","MoKα","","0.0903","0.0586","","","0.1645","0.1873","","","","","","1.067","","","","has coordinates","235387","2020-10-21","18:00:00",""
"4036901","17.7485","0.0019","10.5042","0.0012","30.002","0.003","90","","99.216","0.002","90","","5521.2","1","293","2","293","2","","","","","","","","9","P 1 21/c 1","-P 2ybc","14","","","","- C55 H44 B Br4 Cl3 F2 N2 P2 Pd -","- C55 H44 B Br4 Cl3 F2 N2 P2 Pd -","- C220 H176 B4 Br16 Cl12 F8 N8 P8 Pd4 -","4","1","","Feng, Zeya; Jiao, Lijuan; Feng, Yuanmei; Yu, Changjiang; Chen, Na; Wei, Yun; Mu, Xiaolong; Hao, Erhong","Regioselective and Stepwise Syntheses of Functionalized BODIPY Dyes through Palladium-Catalyzed Cross-Coupling Reactions and Direct C-H Arylations.","The Journal of organic chemistry","2016","81","15","6281","6291","10.1021/acs.joc.6b00858","","","0.71073","MoKα","","0.1118","0.0459","","","0.0838","0.103","","","","","","0.982","","","","has coordinates,has disorder","235388","2020-10-21","18:00:00",""
"4036902","10.0689","0.0009","11.1065","0.001","13.8179","0.0013","87.339","0.001","78.759","0.001","80.718","0.001","1495.6","0.2","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C32 H27 B Br2 F2 N2 O2 -","- C32 H27 B Br2 F2 N2 O2 -","- C64 H54 B2 Br4 F4 N4 O4 -","2","1","","Feng, Zeya; Jiao, Lijuan; Feng, Yuanmei; Yu, Changjiang; Chen, Na; Wei, Yun; Mu, Xiaolong; Hao, Erhong","Regioselective and Stepwise Syntheses of Functionalized BODIPY Dyes through Palladium-Catalyzed Cross-Coupling Reactions and Direct C-H Arylations.","The Journal of organic chemistry","2016","81","15","6281","6291","10.1021/acs.joc.6b00858","","","0.71073","MoKα","","0.0744","0.0481","","","0.1259","0.1412","","","","","","0.963","","","","has coordinates","235390","2020-10-21","18:00:00",""
"4036903","10.6689","0.0004","10.9978","0.0005","11.8961","0.0006","81.299","0.002","66.497","0.001","62.702","0.001","1136.62","0.09","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C33 H18 N2 O3 -","- C33 H18 N2 O3 -","- C66 H36 N4 O6 -","2","1","","Carneiro, Paula F.; Pinto, Maria do Carmo F R; Marra, Roberta K. F.; Campos, Vinícius R; Resende, Jackson Antônio L C; Delarmelina, Maicon; Carneiro, José Walkimar M; Lima, Emerson S.; da Silva, Fernando de C; Ferreira, Vitor F.","Insight into and Computational Studies of the Selective Synthesis of 6H-Dibenzo[b,h]xanthenes.","The Journal of organic chemistry","2016","81","13","5525","5537","10.1021/acs.joc.6b00864","","x-ray","0.71073","MoKα","","0.0554","0.0386","","","0.0988","0.1088","","","","","","1.043","","","","has coordinates","235392","2020-10-21","18:00:00",""
"4036904","15.6449","0.0002","9.02047","0.00012","23.2833","0.0003","90","","90","","90","","3285.84","0.07","100","2","100","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C19 H20 Br N O -","- C19 H20 Br N O -","- C152 H160 Br8 N8 O8 -","8","1","","Clark, Andrew J.; Curran, Dennis P.; Fox, David J.; Ghelfi, Franco; Guy, Collette S.; Hay, Benjamin; James, Natalie; Phillips, Jessica M.; Roncaglia, Fabrizio; Sellars, Philip B.; Wilson, Paul; Zhang, Hanmo","Axially Chiral Enamides: Substituent Effects, Rotation Barriers, and Implications for their Cyclization Reactions.","The Journal of organic chemistry","2016","81","13","5547","5565","10.1021/acs.joc.6b00889","","","0.71073","MoKα","","0.0464","0.0336","","","0.0734","0.078","","","","","","1.053","","","","has coordinates","235394","2020-10-21","18:00:00",""
"4036905","7.9989","0.0002","9.6732","0.0002","13.3484","0.0003","90.048","0.002","96.165","0.002","112.241","0.003","949.49","0.04","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C21 H24 Br N O -","- C21 H24 Br N O -","- C42 H48 Br2 N2 O2 -","2","1","","Clark, Andrew J.; Curran, Dennis P.; Fox, David J.; Ghelfi, Franco; Guy, Collette S.; Hay, Benjamin; James, Natalie; Phillips, Jessica M.; Roncaglia, Fabrizio; Sellars, Philip B.; Wilson, Paul; Zhang, Hanmo","Axially Chiral Enamides: Substituent Effects, Rotation Barriers, and Implications for their Cyclization Reactions.","The Journal of organic chemistry","2016","81","13","5547","5565","10.1021/acs.joc.6b00889","","","1.54184","CuKα","","0.0376","0.0371","","","0.0947","0.0952","","","","","","1.055","","","","has coordinates","235394","2020-10-21","18:00:00",""
"4036906","7.3684","0.0003","9.7503","0.0004","22.0856","0.0009","90","","90","","90","","1586.72","0.11","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C20 H21 N O -","- C20 H21 N O -","- C80 H84 N4 O4 -","4","1","","Clark, Andrew J.; Curran, Dennis P.; Fox, David J.; Ghelfi, Franco; Guy, Collette S.; Hay, Benjamin; James, Natalie; Phillips, Jessica M.; Roncaglia, Fabrizio; Sellars, Philip B.; Wilson, Paul; Zhang, Hanmo","Axially Chiral Enamides: Substituent Effects, Rotation Barriers, and Implications for their Cyclization Reactions.","The Journal of organic chemistry","2016","81","13","5547","5565","10.1021/acs.joc.6b00889","","","0.71073","MoKα","","0.0767","0.0548","","","0.1112","0.1169","","","","","","0.916","","","","has coordinates","235394","2020-10-21","18:00:00",""
"4036907","14.954","0.0003","8.16087","0.00011","15.9498","0.0003","90","","112.96","0.002","90","","1792.27","0.06","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H25 N O -","- C22 H25 N O -","- C88 H100 N4 O4 -","4","1","","Clark, Andrew J.; Curran, Dennis P.; Fox, David J.; Ghelfi, Franco; Guy, Collette S.; Hay, Benjamin; James, Natalie; Phillips, Jessica M.; Roncaglia, Fabrizio; Sellars, Philip B.; Wilson, Paul; Zhang, Hanmo","Axially Chiral Enamides: Substituent Effects, Rotation Barriers, and Implications for their Cyclization Reactions.","The Journal of organic chemistry","2016","81","13","5547","5565","10.1021/acs.joc.6b00889","","","1.54184","CuKα","","0.0326","0.0285","","","0.0722","0.0741","","","","","","1.06","","","","has coordinates","235394","2020-10-21","18:00:00",""
"4036908","13.3649","0.0019","28.6","0.003","7.4174","0.0011","90","","90","","90","","2835.2","0.7","296","2","296","2","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- C18 H10 Br2 -","- C18 H10 Br2 -","- C144 H80 Br16 -","8","2","","Wang, Jianbo; Yao, Jinzhong; Wang, Hailong; Chen, Hao; Dong, Jingcheng; Zhou, Hongwei","One-Pot Synthesis of Tetraphene and Construction of Expanded Conjugated Aromatics.","The Journal of organic chemistry","2016","81","12","5250","5255","10.1021/acs.joc.6b00890","","","0.71073","MoKα","","0.2003","0.1149","","","0.2679","0.3118","","","","","","1.034","","","","has coordinates","235396","2020-10-21","18:00:00",""
"4036909","11.728","0.009","14.884","0.011","6.523","0.005","90","","105.23","0.04","90","","1098.7","1.5","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","CG-53","","","- C12 H13 N O2 -","- C12 H13 N O2 -","- C48 H52 N4 O8 -","4","1","","García-Iriepa, Cristina; Ernst, Hanna A.; Liang, Yu; Unterreiner, Andreas-Neil; Frutos, Luis Manuel; Sampedro, Diego","Study of Model Systems for Bilirubin and Bilin Chromophores: Determination and Modification of Thermal and Photochemical Properties.","The Journal of organic chemistry","2016","81","15","6292","6302","10.1021/acs.joc.6b00892","","","0.71073","MoKα","","0.0534","0.0401","","","0.103","0.1127","","","","","","0.892","","","","has coordinates","235399","2020-10-21","18:00:00",""
"4036910","18.598","0.005","7.254","0.005","17.992","0.014","90","","106.78","0.03","90","","2324","3","173","2","173","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","CG-12","","","- C13 H14 N2 O -","- C13 H14 N2 O -","- C104 H112 N16 O8 -","8","1","","García-Iriepa, Cristina; Ernst, Hanna A.; Liang, Yu; Unterreiner, Andreas-Neil; Frutos, Luis Manuel; Sampedro, Diego","Study of Model Systems for Bilirubin and Bilin Chromophores: Determination and Modification of Thermal and Photochemical Properties.","The Journal of organic chemistry","2016","81","15","6292","6302","10.1021/acs.joc.6b00892","","","0.71073","MoKα","","0.0878","0.0505","","","0.1099","0.1253","","","","","","0.998","","","","has coordinates","235400","2020-10-21","18:00:00",""
"4036911","6.1867","0.0003","9.1457","0.0008","11.723","0.001","109.952","0.003","90.003","0.005","99.279","0.004","614.25","0.08","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C14 H16 N2 O -","- C14 H16 N2 O -","- C28 H32 N4 O2 -","2","1","","García-Iriepa, Cristina; Ernst, Hanna A.; Liang, Yu; Unterreiner, Andreas-Neil; Frutos, Luis Manuel; Sampedro, Diego","Study of Model Systems for Bilirubin and Bilin Chromophores: Determination and Modification of Thermal and Photochemical Properties.","The Journal of organic chemistry","2016","81","15","6292","6302","10.1021/acs.joc.6b00892","","","0.71073","MoKα","","0.062","0.0438","","","0.104","0.1137","","","","","","1.034","","","","has coordinates","235402","2020-10-21","18:00:00",""
"4036912","38.764","0.004","6.8408","0.0007","8.3667","0.0008","90","","91.32","0.002","90","","2218.1","0.4","173","2","173","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C22 H30 O6 S -","- C22 H30 O6 S -","- C88 H120 O24 S4 -","4","1","","Saha, Mrinmoy; Li, Xin; Collett, Nathan D.; Carter, Rich G.","Unified Synthesis of 10-Oxygenated Lycopodium Alkaloids: Impact of C10-Stereochemistry on Reactivity.","The Journal of organic chemistry","2016","81","14","5963","5980","10.1021/acs.joc.6b00900","","","0.71073","MoKα","","0.038","0.0365","","","0.1012","0.1064","","","","","","1.08","","","","has coordinates,has disorder","235404","2020-10-21","18:00:00",""
"4036913","8.4382","0.0013","10.6416","0.0017","23.583","0.004","90","","90","","90","","2117.7","0.6","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C22 H30 O6 S -","- C22 H30 O6 S -","- C88 H120 O24 S4 -","4","1","","Saha, Mrinmoy; Li, Xin; Collett, Nathan D.; Carter, Rich G.","Unified Synthesis of 10-Oxygenated Lycopodium Alkaloids: Impact of C10-Stereochemistry on Reactivity.","The Journal of organic chemistry","2016","81","14","5963","5980","10.1021/acs.joc.6b00900","","","0.71073","MoKα","","0.0303","0.0288","","","0.0722","0.0732","","","","","","1.04","","","","has coordinates","235405","2020-10-21","18:00:00",""
"4036914","10.1489","0.0016","10.1904","0.0016","14.839","0.002","88.909","0.003","73.752","0.003","66.213","0.002","1340.5","0.4","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C27 H25 Cl2 I N2 S -","- C27 H25 Cl2 I N2 S -","- C54 H50 Cl4 I2 N4 S2 -","2","1","","Guan, Li; Li, Anyang; Song, Yinyin; Yan, Mengqi; Gao, Dengfeng; Zhang, Xianghan; Li, Bin; Wang, Lanying","Nonplanar Monocyanines: Meso-Substituted Thiazole Orange with High Photostability and Their Synthetic Strategy as well as a Cell Association Study.","The Journal of organic chemistry","2016","81","15","6303","6313","10.1021/acs.joc.6b00928","","","0.71073","MoKα","","0.0927","0.0857","","","0.2751","0.2879","","","","","","1.045","","","","has coordinates","235407","2020-10-21","18:00:00",""
"4036915","23.207","0.004","6.8396","0.0013","13.769","0.003","90","","90","","90","","2185.5","0.7","296","2","296","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C20 H18 Cl3 I N2 S -","- C20 H18 Cl3 I N2 S -","- C80 H72 Cl12 I4 N8 S4 -","4","0.5","","Guan, Li; Li, Anyang; Song, Yinyin; Yan, Mengqi; Gao, Dengfeng; Zhang, Xianghan; Li, Bin; Wang, Lanying","Nonplanar Monocyanines: Meso-Substituted Thiazole Orange with High Photostability and Their Synthetic Strategy as well as a Cell Association Study.","The Journal of organic chemistry","2016","81","15","6303","6313","10.1021/acs.joc.6b00928","","","0.71073","MoKα","","0.0428","0.0313","","","0.0792","0.0844","","","","","","1.005","","","","has coordinates","235408","2020-10-21","18:00:00",""
"4036916","10.4816","0.0019","10.7583","0.0019","11.772","0.002","76.108","0.003","80.965","0.003","79.204","0.003","1257.1","0.4","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C27 H25 I N2 O S -","- C27 H25 I N2 O S -","- C54 H50 I2 N4 O2 S2 -","2","1","","Guan, Li; Li, Anyang; Song, Yinyin; Yan, Mengqi; Gao, Dengfeng; Zhang, Xianghan; Li, Bin; Wang, Lanying","Nonplanar Monocyanines: Meso-Substituted Thiazole Orange with High Photostability and Their Synthetic Strategy as well as a Cell Association Study.","The Journal of organic chemistry","2016","81","15","6303","6313","10.1021/acs.joc.6b00928","","","0.71073","MoKα","","0.0719","0.0511","","","0.1559","0.1733","","","","","","1.016","","","","has coordinates","235410","2020-10-21","18:00:00",""
"4036917","13.461","0.003","12.271","0.003","17.054","0.004","90","","100.338","0.004","90","","2771.2","1.1","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C28 H27 Cl2 I N2 S -","- C28 H27 Cl2 I N2 S -","- C112 H108 Cl8 I4 N8 S4 -","4","1","","Guan, Li; Li, Anyang; Song, Yinyin; Yan, Mengqi; Gao, Dengfeng; Zhang, Xianghan; Li, Bin; Wang, Lanying","Nonplanar Monocyanines: Meso-Substituted Thiazole Orange with High Photostability and Their Synthetic Strategy as well as a Cell Association Study.","The Journal of organic chemistry","2016","81","15","6303","6313","10.1021/acs.joc.6b00928","","","0.71073","MoKα","","0.2012","0.0728","","","0.1335","0.1631","","","","","","1.014","","","","has coordinates","235412","2020-10-21","18:00:00",""
"4036918","8.053","0.003","10.199","0.004","12.356","0.005","114.295","0.006","90.071","0.007","109.686","0.006","859.3","0.6","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C19 H17 I N2 S -","- C19 H17 I N2 S -","- C38 H34 I2 N4 S2 -","2","1","","Guan, Li; Li, Anyang; Song, Yinyin; Yan, Mengqi; Gao, Dengfeng; Zhang, Xianghan; Li, Bin; Wang, Lanying","Nonplanar Monocyanines: Meso-Substituted Thiazole Orange with High Photostability and Their Synthetic Strategy as well as a Cell Association Study.","The Journal of organic chemistry","2016","81","15","6303","6313","10.1021/acs.joc.6b00928","","","0.71073","MoKα","","0.1338","0.1134","","","0.3081","0.3287","","","","","","1.07","","","","has coordinates","235413","2020-10-21","18:00:00",""
"4036919","10.833","0.004","7.555","0.003","24.472","0.009","90","","101.544","0.007","90","","1962.4","1.3","273","2","273.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C21 H17 Br F3 N O3 -","- C21 H17 Br F3 N O3 -","- C84 H68 Br4 F12 N4 O12 -","4","1","","Huan, Feng; Chen, Qing-Yun; Guo, Yong","Visible Light-Induced Photoredox Construction of Trifluoromethylated Quaternary Carbon Centers from Trifluoromethylated Tertiary Bromides.","The Journal of organic chemistry","2016","81","16","7051","7063","10.1021/acs.joc.6b00930","","","0.71073","MoKα","","0.2218","0.0911","","","0.1873","0.2401","","","","","","0.975","","","","has coordinates","235415","2020-10-21","18:00:00",""
"4036920","10.9041","0.0016","10.6234","0.0016","14.133","0.002","90","","90.319","0.003","90","","1637.1","0.4","293","","293.15","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C15 H14 Br F4 N O3 -","- C15 H14 Br F4 N O3 -","- C60 H56 Br4 F16 N4 O12 -","4","1","","Huan, Feng; Chen, Qing-Yun; Guo, Yong","Visible Light-Induced Photoredox Construction of Trifluoromethylated Quaternary Carbon Centers from Trifluoromethylated Tertiary Bromides.","The Journal of organic chemistry","2016","81","16","7051","7063","10.1021/acs.joc.6b00930","","","0.71073","MoKα","","0.0998","0.042","","","0.0941","0.1149","","","","","","0.996","","","","has coordinates","235417","2020-10-21","18:00:00",""
"4036921","10.8811","0.0008","9.6564","0.0007","14.0641","0.0011","90","","97.864","0.001","90","","1463.85","0.19","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C35 H36 N2 O3 -","- C35 H36 N2 O3 -","- C70 H72 N4 O6 -","2","1","","Gupta, Riddhi; Gonnade, Rajesh G.; Bedekar, Ashutosh V.","Application of Roof-Shape Amines as Chiral Solvating Agents for Discrimination of Optically Active Acids by NMR Spectroscopy: Study of Match-Mismatch Effect and Crystal Structure of the Diastereomeric Salts.","The Journal of organic chemistry","2016","81","17","7384","7392","10.1021/acs.joc.6b00935","","","0.71073","MoKα","","0.0399","0.0368","","","0.0873","0.0887","","","","","","1.071","","","","has coordinates","255805","2020-10-21","18:00:00",""
"4036922","9.7297","0.0014","24.373","0.004","12.012","0.002","90","","92.421","0.007","90","","2846","0.8","150","2","150","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C33 H33 N O3 -","- C33 H33 N O3 -","- C132 H132 N4 O12 -","4","2","","Gupta, Riddhi; Gonnade, Rajesh G.; Bedekar, Ashutosh V.","Application of Roof-Shape Amines as Chiral Solvating Agents for Discrimination of Optically Active Acids by NMR Spectroscopy: Study of Match-Mismatch Effect and Crystal Structure of the Diastereomeric Salts.","The Journal of organic chemistry","2016","81","17","7384","7392","10.1021/acs.joc.6b00935","","","0.71073","MoKα","","0.1501","0.0991","","","0.1307","0.1486","","","","","","1.075","","","","has coordinates","235421","2020-10-21","18:00:00",""
"4036923","8.9513","0.001","4.8424","0.0006","25.886","0.003","90","","102.982","0.01","90","","1093.4","0.2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C10 H11 F3 N2 O -","- C10 H11 F3 N2 O -","- C40 H44 F12 N8 O4 -","4","1","","Zhu, Mei; Han, Xin; Fu, Weijun; Wang, Zhiqiang; Ji, Baoming; Hao, Xin-Qi; Song, Mao-Ping; Xu, Chen","Regioselective 2,2,2-Trifluoroethylation of Imidazopyridines by Visible Light Photoredox Catalysis.","The Journal of organic chemistry","2016","81","16","7282","7287","10.1021/acs.joc.6b00950","","","0.71073","MoKα","","0.0776","0.0595","","","0.1396","0.1504","","","","","","1.128","","","","has coordinates","235422","2020-10-21","18:00:00",""
"4036924","6.788","0.0001","13.1767","0.0003","25.9973","0.0005","90","","90","","90","","2325.29","0.08","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(3R,3aS,9bR)-diethyl 3-(2-methoxyphenyl)-8-nitro-4-oxo-1,3a,4,9b- tetrahydrochromeno[4,3-b]pyrrole-2,2(3H)-dicarboxylate","","- C24 H24 N2 O9 -","- C24 H24 N2 O9 -","- C96 H96 N8 O36 -","4","1","","Kowalczyk, Dorota; Albrecht, Łukasz","Organocatalytic Doubly Annulative Approach to 3,4-Dihydrocoumarins Bearing a Fused Pyrrolidine Scaffold.","The Journal of organic chemistry","2016","81","15","6800","6807","10.1021/acs.joc.6b00975","","","1.54178","CuKα","","0.0281","0.0281","","","0.0734","0.0734","","","","","","1.095","","","","has coordinates","235424","2020-10-21","18:00:00",""
"4036925","10.5388","0.0004","19.2355","0.0006","13.3088","0.0005","90","","104.093","0.001","90","","2616.74","0.16","150","2","150.15","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","3ha","","","- C29 H22 Cl3 N O3 S -","- C29 H22 Cl3 N O3 S -","- C116 H88 Cl12 N4 O12 S4 -","4","1","","Liu, Hui; Li, Jie; Xiong, Miao; Jiang, Jijun; Wang, Jun","Cp*Co(III)-Catalyzed C-H Alkenylation/Annulation to Afford Spiro Indenyl Benzosultam.","The Journal of organic chemistry","2016","81","14","6093","6099","10.1021/acs.joc.6b00976","","","0.71073","MoKα","","0.0641","0.053","","","0.1336","0.1413","","","","","","1.066","","","","has coordinates","235426","2020-10-21","18:00:00",""
"4036926","8.8896","0.0007","9.8927","0.0007","11.5646","0.0012","94.747","0.004","112.49","0.003","110.443","0.003","852.55","0.13","150","2","150.15","","","","","","","","","5","P -1","-P 1","2","","","","- C22 H17 N O2 S -","- C22 H17 N O2 S -","- C44 H34 N2 O4 S2 -","2","1","","Liu, Hui; Li, Jie; Xiong, Miao; Jiang, Jijun; Wang, Jun","Cp*Co(III)-Catalyzed C-H Alkenylation/Annulation to Afford Spiro Indenyl Benzosultam.","The Journal of organic chemistry","2016","81","14","6093","6099","10.1021/acs.joc.6b00976","","","0.71073","MoKα","","0.0598","0.0522","","","0.1367","0.1424","","","","","","1.046","","","","has coordinates","235426","2020-10-21","18:00:00",""
"4036927","10.1326","0.0006","10.4668","0.0006","21.8586","0.0012","90","","95.792","0.002","90","","2306.4","0.2","150","2","150.15","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C56 H34 F4 N2 O8 S2 -","- C56 H34 F4 N2 O8 S2 -","- C112 H68 F8 N4 O16 S4 -","2","0.5","","Liu, Hui; Li, Jie; Xiong, Miao; Jiang, Jijun; Wang, Jun","Cp*Co(III)-Catalyzed C-H Alkenylation/Annulation to Afford Spiro Indenyl Benzosultam.","The Journal of organic chemistry","2016","81","14","6093","6099","10.1021/acs.joc.6b00976","","","0.71073","MoKα","","0.0693","0.0479","","","0.1125","0.1221","","","","","","1.058","","","","has coordinates","235426","2020-10-21","18:00:00",""
"4036928","20.165","0.004","7.1874","0.0014","34.207","0.007","90","","104.89","0.03","90","","4791.3","1.8","173.15","","173.15","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C24 H26 Cl F3 N2 O5 -","- C24 H26 Cl F3 N2 O5 -","- C192 H208 Cl8 F24 N16 O40 -","8","1","","Niu, Guangle; Liu, Weimin; Zhou, Bingjiang; Xiao, Hongyan; Zhang, Hongyan; Wu, Jiasheng; Ge, Jiechao; Wang, Pengfei","Deep-Red and Near-Infrared Xanthene Dyes for Rapid Live Cell Imaging.","The Journal of organic chemistry","2016","81","17","7393","7399","10.1021/acs.joc.6b00981","","","0.71073","MoKα","","0.084","0.0751","","","0.2019","0.2096","","","","","","1.149","","","","has coordinates,has disorder","235428","2020-10-21","18:00:00",""
"4036929","7.6833","0.0017","16.259","0.004","17.707","0.004","90","","98.538","0.003","90","","2187.5","0.9","173.15","","173.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C23 H27 Cl N2 O5 -","- C23 H27 Cl N2 O5 -","- C92 H108 Cl4 N8 O20 -","4","1","","Niu, Guangle; Liu, Weimin; Zhou, Bingjiang; Xiao, Hongyan; Zhang, Hongyan; Wu, Jiasheng; Ge, Jiechao; Wang, Pengfei","Deep-Red and Near-Infrared Xanthene Dyes for Rapid Live Cell Imaging.","The Journal of organic chemistry","2016","81","17","7393","7399","10.1021/acs.joc.6b00981","","","0.71073","MoKα","","0.08","0.072","","","0.1538","0.1585","","","","","","1.212","","","","has coordinates","235430","2020-10-21","18:00:00",""
"4036930","10.211","0.0018","24.559","0.004","25.563","0.005","90","","90","","90","","6410","2","93","","93","","","","","","","","synthesis","4","P 21 21 21","P 2ac 2ab","19","","H2N-Trp-Trp-(Leu-Leu-Ac5)2-OMe.AcOEt","","- C63 H94 N10 O11 -","- C63 H94 N10 O11 -","- C252 H376 N40 O44 -","4","1","","Ueda, Atsushi; Umeno, Tomohiro; Doi, Mitsunobu; Akagawa, Kengo; Kudo, Kazuaki; Tanaka, Masakazu","Helical-Peptide-Catalyzed Enantioselective Michael Addition Reactions and Their Mechanistic Insights.","The Journal of organic chemistry","2016","81","15","6343","6356","10.1021/acs.joc.6b00982","","","0.71073","MoKα","","0.0894","0.0737","","","0.1602","0.1696","","","","","","1.115","","","","has coordinates","235432","2020-10-21","18:00:00",""
"4036931","15.8893","0.0011","8.6895","0.0006","16.3849","0.0014","90","","102.646","0.008","90","","2207.4","0.3","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C25 H22 Cl N O2 S -","- C25 H22 Cl N O2 S -","- C100 H88 Cl4 N4 O8 S4 -","4","1","","Borthakur, Upasana; Borah, Madhurjya; Deka, Manash J.; Saikia, Anil K.","Synthesis of Tetrahydro-1H-indeno[1,2-b]pyridine via Cascade Cyclization and Friedel-Crafts Reaction.","The Journal of organic chemistry","2016","81","19","8736","8743","10.1021/acs.joc.6b00988","","","0.71073","MoKα","","0.122","0.0695","","","0.1147","0.1445","","","","","","1.093","","","","has coordinates","235435","2020-10-21","18:00:00",""
"4036932","16.1636","0.0008","8.3922","0.0002","18.1804","0.0009","90","","116.007","0.006","90","","2216.4","0.2","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C25 H22 Br N O2 S -","- C25 H22 Br N O2 S -","- C100 H88 Br4 N4 O8 S4 -","4","1","","Borthakur, Upasana; Borah, Madhurjya; Deka, Manash J.; Saikia, Anil K.","Synthesis of Tetrahydro-1H-indeno[1,2-b]pyridine via Cascade Cyclization and Friedel-Crafts Reaction.","The Journal of organic chemistry","2016","81","19","8736","8743","10.1021/acs.joc.6b00988","","","0.71073","MoKα","","0.0761","0.0457","","","0.1035","0.1177","","","","","","1.011","","","","has coordinates","235437","2020-10-21","18:00:00",""
"4036933","8.8934","0.0005","10.6507","0.0005","12.735","0.0007","87.351","0.004","71.155","0.004","71.657","0.003","1081.54","0.1","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C25 H22 Br N O2 S -","- C25 H22 Br N O2 S -","- C50 H44 Br2 N2 O4 S2 -","2","1","","Borthakur, Upasana; Borah, Madhurjya; Deka, Manash J.; Saikia, Anil K.","Synthesis of Tetrahydro-1H-indeno[1,2-b]pyridine via Cascade Cyclization and Friedel-Crafts Reaction.","The Journal of organic chemistry","2016","81","19","8736","8743","10.1021/acs.joc.6b00988","","","0.71073","MoKα","","0.0569","0.0384","","","0.0683","0.0739","","","","","","1.1","","","","has coordinates","235439","2020-10-21","18:00:00",""
"4036934","14.904","0.003","14.88","0.003","21.229","0.004","90","","107.246","0.005","90","","4496.3","1.5","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C26 H25 N O2 S -","- C26 H25 N O2 S -","- C208 H200 N8 O16 S8 -","8","1","","Borthakur, Upasana; Borah, Madhurjya; Deka, Manash J.; Saikia, Anil K.","Synthesis of Tetrahydro-1H-indeno[1,2-b]pyridine via Cascade Cyclization and Friedel-Crafts Reaction.","The Journal of organic chemistry","2016","81","19","8736","8743","10.1021/acs.joc.6b00988","","","0.71073","MoKα","","0.0722","0.046","","","0.1335","0.1537","","","","","","0.975","","","","has coordinates","235441","2020-10-21","18:00:00",""
"4036935","10.3833","0.0009","10.4789","0.001","10.8297","0.0009","103.353","0.004","96.832","0.004","90.812","0.005","1137.28","0.18","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C27 H27 N O2 S -","- C27 H27 N O2 S -","- C54 H54 N2 O4 S2 -","2","1","","Borthakur, Upasana; Borah, Madhurjya; Deka, Manash J.; Saikia, Anil K.","Synthesis of Tetrahydro-1H-indeno[1,2-b]pyridine via Cascade Cyclization and Friedel-Crafts Reaction.","The Journal of organic chemistry","2016","81","19","8736","8743","10.1021/acs.joc.6b00988","","","0.71073","MoKα","","0.0525","0.0387","","","0.0971","0.1069","","","","","","1.058","","","","has coordinates","235443","2020-10-21","18:00:00",""
"4036936","13.764","0.003","8.3813","0.0018","15.703","0.003","90","","95.075","0.004","90","","1804.4","0.7","100.01","0.1","100.01","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H22 N2 O2 S -","- C20 H22 N2 O2 S -","- C80 H88 N8 O8 S4 -","4","1","","Wang, Ya-Ni; Li, Tian-Ren; Zhang, Mao-Mao; Cheng, Bei-Yi; Lu, Liang-Qiu; Xiao, Wen-Jing","Formal [3 + 2] Cycloadditions via Indole Activation: A Route to Pyrroloindolines and Furoindolines.","The Journal of organic chemistry","2016","81","21","10491","10498","10.1021/acs.joc.6b00991","","","0.71073","MoKα","","0.1292","0.0811","","","0.1757","0.1911","","","","","","1.123","","","","has coordinates,has disorder","235445","2020-10-21","18:00:00",""
"4036937","9.15161","0.00018","9.9023","0.0002","18.6303","0.0004","90","","96.675","0.002","90","","1676.87","0.06","293","2","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H17 F3 O3 S -","- C18 H17 F3 O3 S -","- C72 H68 F12 O12 S4 -","4","1","","Rawner, Thomas; Knorn, Matthias; Lutsker, Eugen; Hossain, Asik; Reiser, Oliver","Synthesis of Trifluoromethylated Sultones from Alkenols Using a Copper Photoredox Catalyst.","The Journal of organic chemistry","2016","81","16","7139","7147","10.1021/acs.joc.6b01001","","","1.54184","CuKα","","0.0351","0.0318","","","0.0836","0.0865","","","","","","1.0387","","","","has coordinates,has disorder","235447","2020-10-21","18:00:00",""
"4036938","21.0171","0.0011","8.3446","0.0005","21.3332","0.0012","90","","114.015","0.003","90","","3417.5","0.3","93","0.2","93","0.2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C35 H51 N O8 Se Si -","- C35 H51 N O8 Se Si -","- C140 H204 N4 O32 Se4 Si4 -","4","1","","Tabuchi, Toshiki; Urabe, Daisuke; Inoue, Masayuki","Construction of the Fused Pentacycle of Talatisamine via a Combination of Radical and Cationic Cyclizations.","The Journal of organic chemistry","2016","81","21","10204","10213","10.1021/acs.joc.6b01011","","","1.54178","","","0.0633","0.0482","","","0.1265","0.1381","","","","","","1.021","","","","has coordinates,has disorder","235449","2020-10-21","18:00:00",""
"4036939","9.3706","0.0012","17.767","0.005","8.5579","0.0011","90","","107.183","0.012","90","","1361.2","0.5","295","2","295","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H5 N4 O Rb -","- C14 H5 N4 O Rb -","- C56 H20 N16 O4 Rb4 -","4","1","","Karpov, Sergey V.; Grigor'ev, Arthur A.; Kayukov, Yakov S.; Karpova, Irina V.; Nasakin, Oleg E.; Tafeenko, Victor A.","Synthesis and X-ray Characterization of Alkali Metal 2-Acyl-1,1,3,3-tetracyanopropenides.","The Journal of organic chemistry","2016","81","15","6402","6408","10.1021/acs.joc.6b01040","","","0.71073","MoKα","","0.0985","0.0449","","","0.0696","0.0802","","","","","","0.974","","","","has coordinates","235451","2020-10-21","18:00:00",""
"4036940","8.2223","0.0004","10.6045","0.0006","17.2234","0.0007","90","","92.545","0.004","90","","1500.29","0.13","295","2","295","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C14 H7 K N4 O2 -","- C14 H7 K N4 O2 -","- C56 H28 K4 N16 O8 -","4","1","","Karpov, Sergey V.; Grigor'ev, Arthur A.; Kayukov, Yakov S.; Karpova, Irina V.; Nasakin, Oleg E.; Tafeenko, Victor A.","Synthesis and X-ray Characterization of Alkali Metal 2-Acyl-1,1,3,3-tetracyanopropenides.","The Journal of organic chemistry","2016","81","15","6402","6408","10.1021/acs.joc.6b01040","","","1.54186","CuKα","","0.095","0.0396","","","0.079","0.0999","","","","","","0.847","","","","has coordinates","235453","2020-10-21","18:00:00",""
"4036941","8.1536","0.0002","10.1851","0.0002","16.6349","0.0005","90","","92.739","0.002","90","","1379.87","0.06","295","2","295","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C14 H7 N4 Na O2 -","- C14 H7 N4 Na O2 -","- C56 H28 N16 Na4 O8 -","4","1","","Karpov, Sergey V.; Grigor'ev, Arthur A.; Kayukov, Yakov S.; Karpova, Irina V.; Nasakin, Oleg E.; Tafeenko, Victor A.","Synthesis and X-ray Characterization of Alkali Metal 2-Acyl-1,1,3,3-tetracyanopropenides.","The Journal of organic chemistry","2016","81","15","6402","6408","10.1021/acs.joc.6b01040","","","1.54186","CuKα","","0.059","0.046","","","0.1347","0.1446","","","","","","1.052","","","","has coordinates","235455","2020-10-21","18:00:00",""
"4036942","9.6659","0.0004","18.418","0.0005","8.3669","0.0003","90","","107.607","0.003","90","","1419.75","0.09","295","2","295","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H5 Cs N4 O -","- C14 H5 Cs N4 O -","- C56 H20 Cs4 N16 O4 -","4","1","","Karpov, Sergey V.; Grigor'ev, Arthur A.; Kayukov, Yakov S.; Karpova, Irina V.; Nasakin, Oleg E.; Tafeenko, Victor A.","Synthesis and X-ray Characterization of Alkali Metal 2-Acyl-1,1,3,3-tetracyanopropenides.","The Journal of organic chemistry","2016","81","15","6402","6408","10.1021/acs.joc.6b01040","","","1.54186","CuKα","","0.0746","0.0617","","","0.1428","0.1481","","","","","","0.952","","","","has coordinates","235456","2020-10-21","18:00:00",""
"4036943","8.7665","0.0003","9.4171","0.0003","9.929","0.0003","63.474","0.003","76.105","0.003","67.301","0.003","674.31","0.04","295","2","295","","","","","","","","","5","P -1","-P 1","2","","","","- C14 H7 Li N4 O2 -","- C14 H7 Li N4 O2 -","- C28 H14 Li2 N8 O4 -","2","1","","Karpov, Sergey V.; Grigor'ev, Arthur A.; Kayukov, Yakov S.; Karpova, Irina V.; Nasakin, Oleg E.; Tafeenko, Victor A.","Synthesis and X-ray Characterization of Alkali Metal 2-Acyl-1,1,3,3-tetracyanopropenides.","The Journal of organic chemistry","2016","81","15","6402","6408","10.1021/acs.joc.6b01040","","","1.54186","CuKα","","0.0964","0.0783","","","0.2068","0.2223","","","","","","0.937","","","","has coordinates","235458","2020-10-21","18:00:00",""
"4036944","21.524","0.012","6.136","0.003","11.931","0.008","90","","92.893","0.019","90","","1573.7","1.6","100","","100","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C22 H10 F6 -","- C22 H10 F6 -","- C88 H40 F24 -","4","0.5","","Zhou, Jing; Berthel, Johannes H. J.; Kuntze-Fechner, Maximilian W; Friedrich, Alexandra; Marder, Todd B.; Radius, Udo","NHC Nickel-Catalyzed Suzuki-Miyaura Cross-Coupling Reactions of Aryl Boronate Esters with Perfluorobenzenes.","The Journal of organic chemistry","2016","81","13","5789","5794","10.1021/acs.joc.6b01041","","","0.71073","MoKα","","0.0296","0.0282","","","0.0766","0.0778","","","","","","1.079","","","","has coordinates","235459","2020-10-21","18:00:00",""
"4036945","9.4924","0.0012","13.7707","0.0016","15.835","0.002","107.369","0.011","102.785","0.011","92.675","0.01","1912.4","0.4","220.6","0.1","220.6","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C22 H24 N2 O2 -","- C22 H24 N2 O2 -","- C88 H96 N8 O8 -","4","2","","Jia, Wen-Liang; He, Jian; Yang, Jia-Jing; Gao, Xue-Wang; Liu, Qiang; Wu, Li-Zhu","Homocoupling of 3-Halooxindole via Visible-Light Photocatalysis: A Mild Access to 3,3'-Bioxindoles.","The Journal of organic chemistry","2016","81","16","7172","7181","10.1021/acs.joc.6b01045","","x-ray","0.71073","MoKα","","0.1635","0.0738","","","0.1508","0.215","","","","","","1.039","","","","has coordinates","235461","2020-10-21","18:00:00",""
"4036946","14.4383","0.0004","16.5487","0.0006","31.6999","0.0008","90","","90","","90","","7574.2","0.4","293","2","293","2","","","","","","","","4","F d d d :2","-F 2uv 2vw","70","","","","- C22 H24 N2 O2 -","- C22 H24 N2 O2 -","- C352 H384 N32 O32 -","16","0.5","","Jia, Wen-Liang; He, Jian; Yang, Jia-Jing; Gao, Xue-Wang; Liu, Qiang; Wu, Li-Zhu","Homocoupling of 3-Halooxindole via Visible-Light Photocatalysis: A Mild Access to 3,3'-Bioxindoles.","The Journal of organic chemistry","2016","81","16","7172","7181","10.1021/acs.joc.6b01045","","","0.71073","MoKα","","0.0726","0.0535","","","0.1355","0.1488","","","","","","1.107","","","","has coordinates","235463","2020-10-21","18:00:00",""
"4036947","14.537","0.005","10.994","0.005","15.122","0.005","90","0.005","113.089","0.005","90","0.005","2223.2","1.5","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C24 H20 Br Cl N2 O2 S -","- C24 H20 Br Cl N2 O2 S -","- C96 H80 Br4 Cl4 N8 O8 S4 -","4","1","","Sayyad, Masthanvali; Mal, Abhijit; Wani, Imtiyaz Ahmad; Ghorai, Manas K.","A Synthetic Route to Chiral Tetrahydropyrroloindoles via Ring Opening of Activated Aziridines with 2-Bromoindoles Followed by Copper-Catalyzed C-N Cyclization.","The Journal of organic chemistry","2016","81","15","6424","6432","10.1021/acs.joc.6b01049","","","0.71073","MoKα","","0.084","0.0511","","","0.1116","0.1242","","","","","","1.018","","","","has coordinates","235465","2020-10-21","18:00:00",""
"4036948","32.136","0.002","14.7792","0.0011","7.6234","0.0006","90","","90","","90","","3620.7","0.5","103","2","103","2","","","","","","","","3","P c a 21","P 2c -2ac","29","","","","- C25 H18 O2 -","- C25 H18 O2 -","- C200 H144 O16 -","8","2","","Harris, Trevor; Gomes, Gabriel Dos Passos; Clark, Ronald J.; Alabugin, Igor V.","Domino Fragmentations in Traceless Directing Groups of Radical Cascades: Evidence for the Formation of Alkoxy Radicals via C-O Scission.","The Journal of organic chemistry","2016","81","14","6007","6017","10.1021/acs.joc.6b01052","","","0.71073","MoKα","","0.0404","0.0355","","","0.0813","0.0839","","","","","","1.018","","","","has coordinates","235467","2020-10-21","18:00:00",""
"4036949","5.8149","0.0007","7.7454","0.0009","15.5132","0.0013","90","","95.543","0.008","90","","695.43","0.13","293","2","293","2","","","","","","","","4","P 1 n 1","P -2yac","7","","(2S,3R)-4-nitro-2,3-diphenylbutanal","","- C16 H15 N O3 -","- C16 H15 N O3 -","- C32 H30 N2 O6 -","2","1","","Donadío, Lucía Gandolfi; Galetti, Mariana A.; Giorgi, Gianluca; Rasparini, Marcello; Comin, Maria J.","Anti-Selective Organocatalytic Michael Addition between Phenylacetaldehyde and Nitrostyrene.","The Journal of organic chemistry","2016","81","17","7952","7957","10.1021/acs.joc.6b01061","","","0.71073","MoKα","","0.1035","0.0392","","","0.0586","0.0667","","","","","","0.737","","","","has coordinates","235469","2020-10-21","18:00:00",""
"4036950","5.882","0.0003","14.7971","0.0009","17.7539","0.0013","90","","90","","90","","1545.24","0.17","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","6-chloro-3-(2-chlorophenyl)-4-(nitromethyl)chroman-2-ol","","- C16 H13 Cl2 N O4 -","- C16 H13 Cl2 N O4 -","- C64 H52 Cl8 N4 O16 -","4","1","","Donadío, Lucía Gandolfi; Galetti, Mariana A.; Giorgi, Gianluca; Rasparini, Marcello; Comin, Maria J.","Anti-Selective Organocatalytic Michael Addition between Phenylacetaldehyde and Nitrostyrene.","The Journal of organic chemistry","2016","81","17","7952","7957","10.1021/acs.joc.6b01061","","","0.71073","MoKα","","0.1247","0.0372","","","0.0456","0.0557","","","","","","0.712","","","","has coordinates","235469","2020-10-21","18:00:00",""
"4036951","14.827","0.0014","10.2711","0.0009","14.4324","0.0013","90","","115.034","0.004","90","","1991.4","0.3","296","2","296.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H27 N O4 -","- C22 H27 N O4 -","- C88 H108 N4 O16 -","4","1","","Clay, Anthony; Vallavoju, Nandini; Krishnan, Retheesh; Ugrinov, Angel; Sivaguru, Jayaraman","Metal-Free Visible Light-Mediated Photocatalysis: Controlling Intramolecular [2 + 2] Photocycloaddition of Enones through Axial Chirality.","The Journal of organic chemistry","2016","81","16","7191","7200","10.1021/acs.joc.6b01066","","","1.54178","CuKα","","0.0671","0.0513","","","0.1591","0.1827","","","","","","1.165","","","","has coordinates","235471","2020-10-21","18:00:00",""
"4036952","7.9328","0.0003","14.3352","0.0005","16.9365","0.0007","90","","90","","90","","1925.99","0.13","103","2","102.74","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C22 H27 N O4 -","- C22 H27 N O4 -","- C88 H108 N4 O16 -","4","1","","Clay, Anthony; Vallavoju, Nandini; Krishnan, Retheesh; Ugrinov, Angel; Sivaguru, Jayaraman","Metal-Free Visible Light-Mediated Photocatalysis: Controlling Intramolecular [2 + 2] Photocycloaddition of Enones through Axial Chirality.","The Journal of organic chemistry","2016","81","16","7191","7200","10.1021/acs.joc.6b01066","","","1.54178","CuKα","","0.0266","0.0261","","","0.066","0.0663","","","","","","1.073","","","","has coordinates","235471","2020-10-21","18:00:00",""
"4036953","32.5617","0.0009","12.2539","0.0003","19.7547","0.0005","90","","98.588","0.002","90","","7793.9","0.4","100","2","99.99","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C22 H29 N O3 -","- C22 H29 N O3 -","- C352 H464 N16 O48 -","16","2","","Clay, Anthony; Vallavoju, Nandini; Krishnan, Retheesh; Ugrinov, Angel; Sivaguru, Jayaraman","Metal-Free Visible Light-Mediated Photocatalysis: Controlling Intramolecular [2 + 2] Photocycloaddition of Enones through Axial Chirality.","The Journal of organic chemistry","2016","81","16","7191","7200","10.1021/acs.joc.6b01066","","","1.54178","CuKα","","0.0601","0.0472","","","0.113","0.1206","","","","","","1.03","","","","has coordinates","235471","2020-10-21","18:00:00",""
"4036954","16.2407","0.0005","18.9857","0.0006","12.4646","0.0004","90","","90","","90","","3843.3","0.2","101","2","100.94","","","","","","","","","4","P c c n","-P 2ab 2ac","56","","","","- C22 H29 N O3 -","- C22 H29 N O3 -","- C176 H232 N8 O24 -","8","1","","Clay, Anthony; Vallavoju, Nandini; Krishnan, Retheesh; Ugrinov, Angel; Sivaguru, Jayaraman","Metal-Free Visible Light-Mediated Photocatalysis: Controlling Intramolecular [2 + 2] Photocycloaddition of Enones through Axial Chirality.","The Journal of organic chemistry","2016","81","16","7191","7200","10.1021/acs.joc.6b01066","","","1.54178","CuKα","","0.0394","0.0351","","","0.0885","0.092","","","","","","1.037","","","","has coordinates","235471","2020-10-21","18:00:00",""
"4036955","8.0354","0.0006","13.7812","0.001","18.9887","0.0014","90","","90","","90","","2102.8","0.3","101","2","100.96","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C23 H29 N O5 -","- C23 H29 N O5 -","- C92 H116 N4 O20 -","4","1","","Clay, Anthony; Vallavoju, Nandini; Krishnan, Retheesh; Ugrinov, Angel; Sivaguru, Jayaraman","Metal-Free Visible Light-Mediated Photocatalysis: Controlling Intramolecular [2 + 2] Photocycloaddition of Enones through Axial Chirality.","The Journal of organic chemistry","2016","81","16","7191","7200","10.1021/acs.joc.6b01066","","","1.54178","CuKα","","0.0287","0.0282","","","0.0708","0.0712","","","","","","1.07","","","","has coordinates","235471","2020-10-21","18:00:00",""
"4036956","6.2306","0.0002","15.6867","0.0005","41.3174","0.0013","90","","90","","90","","4038.3","0.2","100","2","100.01","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C23 H31 N O3 -","- C23 H31 N O3 -","- C184 H248 N8 O24 -","8","2","","Clay, Anthony; Vallavoju, Nandini; Krishnan, Retheesh; Ugrinov, Angel; Sivaguru, Jayaraman","Metal-Free Visible Light-Mediated Photocatalysis: Controlling Intramolecular [2 + 2] Photocycloaddition of Enones through Axial Chirality.","The Journal of organic chemistry","2016","81","16","7191","7200","10.1021/acs.joc.6b01066","","","1.54178","CuKα","","0.0276","0.0265","","","0.0656","0.0663","","","","","","1.045","","","","has coordinates","235471","2020-10-21","18:00:00",""
"4036957","20.7554","0.0007","6.2296","0.0002","17.0708","0.0006","90","","101.719","0.002","90","","2161.21","0.13","100","2","100.01","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H33 N O4 -","- C24 H33 N O4 -","- C96 H132 N4 O16 -","4","1","","Clay, Anthony; Vallavoju, Nandini; Krishnan, Retheesh; Ugrinov, Angel; Sivaguru, Jayaraman","Metal-Free Visible Light-Mediated Photocatalysis: Controlling Intramolecular [2 + 2] Photocycloaddition of Enones through Axial Chirality.","The Journal of organic chemistry","2016","81","16","7191","7200","10.1021/acs.joc.6b01066","","","1.54178","CuKα","","0.0558","0.0432","","","0.1058","0.1135","","","","","","1.05","","","","has coordinates","235471","2020-10-21","18:00:00",""
"4036958","11.7956","0.0004","12.4371","0.0004","16.1837","0.0005","101.858","0.002","99.614","0.001","105.039","0.001","2182.13","0.13","100","2","99.95","","","","","","","","","4","P -1","-P 1","2","","","","- C24 H33 N O4 -","- C24 H33 N O4 -","- C96 H132 N4 O16 -","4","2","","Clay, Anthony; Vallavoju, Nandini; Krishnan, Retheesh; Ugrinov, Angel; Sivaguru, Jayaraman","Metal-Free Visible Light-Mediated Photocatalysis: Controlling Intramolecular [2 + 2] Photocycloaddition of Enones through Axial Chirality.","The Journal of organic chemistry","2016","81","16","7191","7200","10.1021/acs.joc.6b01066","","","1.54178","CuKα","","0.0498","0.0423","","","0.0984","0.1033","","","","","","1.045","","","","has coordinates,has disorder","235471","2020-10-21","18:00:00",""
"4036959","9.4165","0.0002","10.5253","0.0002","12.954","0.0004","101.378","0.001","101.243","0.001","109.559","0.001","1137.7","0.05","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C22 H24 I N O5 S2 -","- C22 H24 I N O5 S2 -","- C44 H48 I2 N2 O10 S4 -","2","1","","Romero, R Martín; Souto, José A; Muñiz, Kilian","Substitution Effects of Hypervalent Iodine(III) Reagents in the Diamination of Styrene.","The Journal of organic chemistry","2016","81","14","6118","6122","10.1021/acs.joc.6b01070","","","0.71073","MoKα","","0.0244","0.0231","","","0.0678","0.0685","","","","","","1.14","","","","has coordinates","235474","2020-10-21","18:00:00",""
"4036960","12.6692","0.0011","12.6854","0.0012","15.731","0.002","106.514","0.007","107.072","0.007","100.27","0.005","2220.6","0.4","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C42 H29 F6 I2 N2 O9 S4 -","- C42 H29 F6 I2 N2 O9 S4 -","- C84 H58 F12 I4 N4 O18 S8 -","2","1","","Romero, R Martín; Souto, José A; Muñiz, Kilian","Substitution Effects of Hypervalent Iodine(III) Reagents in the Diamination of Styrene.","The Journal of organic chemistry","2016","81","14","6118","6122","10.1021/acs.joc.6b01070","","","0.71073","MoKα","","0.0889","0.0685","","","0.1583","0.1818","","","","","","1.103","","","","has coordinates","235475","2020-10-21","18:00:00",""
"4036961","11.0134","0.0004","14.8591","0.0005","31.472","0.001","90","","90","","90","","5150.4","0.3","100","2","100","2","","","","","","","","6","C 2 2 21","C 2c 2","20","","","","- C48 H50 I2 N2 O15 S4 -","- C48 H50 I2 N2 O15 S4 -","- C192 H200 I8 N8 O60 S16 -","4","0.5","","Romero, R Martín; Souto, José A; Muñiz, Kilian","Substitution Effects of Hypervalent Iodine(III) Reagents in the Diamination of Styrene.","The Journal of organic chemistry","2016","81","14","6118","6122","10.1021/acs.joc.6b01070","","","0.71073","MoKα","","0.0306","0.0297","","","0.0852","0.093","","","","","","1.252","","","","has coordinates","235477","2020-10-21","18:00:00",""
"4036962","9.8222","0.001","8.1367","0.0009","42.794","0.005","90","","95.322","0.003","90","","3405.4","0.6","130","","130","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","ethyl (Z)-3-phenyl-2-(phenylthio)-3-(vinyloxy)acrylate","","- C19 H18 O3 S -","- C19 H18 O3 S -","- C152 H144 O24 S8 -","8","2","","Klose, Immo; Misale, Antonio; Maulide, Nuno","Synthesis and Photocatalytic Reactivity of Vinylsulfonium Ylides.","The Journal of organic chemistry","2016","81","16","7201","7210","10.1021/acs.joc.6b01073","","","0.71073","MoKα","","0.0909","0.0523","","","0.105","0.1205","","","","","","1.026","","","","has coordinates","235478","2020-10-21","18:00:00",""
"4036963","15.6683","0.0004","5.6868","0.0001","25.2204","0.0006","90","","99.612","0.001","90","","2215.65","0.09","100","2","100","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C13 H18 O2 -","- C13 H18 O2 -","- C104 H144 O16 -","8","1","","Reckenthäler, Melissa; Neudörfl, Jörg-M; Zorlu, Elif; Griesbeck, Axel G.","Combined Photoredox and Lewis Acid Catalyzed α-Hydroxyalkylation of Cyclic Ethers with Aromatic Ketones.","The Journal of organic chemistry","2016","81","16","7211","7216","10.1021/acs.joc.6b01085","","","1.54178","CuKα","","0.037","0.035","","","0.0968","0.11","","","","","","1.126","","","","has coordinates","235481","2020-10-21","18:00:00",""
"4036964","5.8141","0.0007","24.09","0.003","8.659","0.0014","90","","108.437","0.01","90","","1150.5","0.3","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C13 H18 O2 -","- C13 H18 O2 -","- C52 H72 O8 -","4","1","","Reckenthäler, Melissa; Neudörfl, Jörg-M; Zorlu, Elif; Griesbeck, Axel G.","Combined Photoredox and Lewis Acid Catalyzed α-Hydroxyalkylation of Cyclic Ethers with Aromatic Ketones.","The Journal of organic chemistry","2016","81","16","7211","7216","10.1021/acs.joc.6b01085","","","1.54178","CuKα","","0.0406","0.0401","","","0.103","0.1034","","","","","","1.107","","","","has coordinates","235482","2020-10-21","18:00:00",""
"4036965","12.1871","0.0004","8.1671","0.0003","11.3491","0.0004","90","","100.172","0.001","90","","1111.86","0.07","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C12 H16 O3 -","- C12 H16 O3 -","- C48 H64 O12 -","4","1","","Reckenthäler, Melissa; Neudörfl, Jörg-M; Zorlu, Elif; Griesbeck, Axel G.","Combined Photoredox and Lewis Acid Catalyzed α-Hydroxyalkylation of Cyclic Ethers with Aromatic Ketones.","The Journal of organic chemistry","2016","81","16","7211","7216","10.1021/acs.joc.6b01085","","","1.54178","CuKα","","0.0404","0.0387","","","0.1075","0.1091","","","","","","1.076","","","","has coordinates","235484","2020-10-21","18:00:00",""
"4036966","13.3763","0.0007","9.9725","0.0005","14.0504","0.0007","90","","96.255","0.004","90","","1863.1","0.16","300","","300","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","5-benzyl-8-chloro-12,13-dihydro-4bH-isoquinolino[2,1-a]quinazolin-6(5H)-one","","- C23 H19 Cl N2 O -","- C23 H19 Cl N2 O -","- C92 H76 Cl4 N8 O4 -","4","1","","Sharada, Duddu S.; Shinde, Anand H.; Patel, Srilaxmi M.; Vidyacharan, Shinde","Scaffold Diversity through a Branching Double-Annulation Cascade Strategy: Iminium-Induced One-Pot Synthesis of Diverse Fused Tetrahydroisoquinoline Scaffolds.","The Journal of organic chemistry","2016","81","15","6463","6471","10.1021/acs.joc.6b01096","","","1.54184","CuKα","","0.0636","0.0457","","","0.1189","0.1395","","","","","","1.082","","","","has coordinates","235486","2020-10-21","18:00:00",""
"4036967","10.3261","0.0008","15.0211","0.0008","16.2026","0.0009","90","","90","","90","","2513.2","0.3","293","","293","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C32 H26 N4 O2 -","- C32 H26 N4 O2 -","- C128 H104 N16 O8 -","4","1","","Sharada, Duddu S.; Shinde, Anand H.; Patel, Srilaxmi M.; Vidyacharan, Shinde","Scaffold Diversity through a Branching Double-Annulation Cascade Strategy: Iminium-Induced One-Pot Synthesis of Diverse Fused Tetrahydroisoquinoline Scaffolds.","The Journal of organic chemistry","2016","81","15","6463","6471","10.1021/acs.joc.6b01096","","","1.54184","CuKα","","0.1106","0.0668","","","0.1464","0.1876","","","","","","1.0263","","","","has coordinates","235488","2020-10-21","18:00:00",""
"4036968","7.941","0.0004","11.929","0.0005","13.9233","0.0007","90","","90","","90","","1318.93","0.11","293","","293","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C15 H14 N2 O2 S -","- C15 H14 N2 O2 S -","- C60 H56 N8 O8 S4 -","4","1","","Sharada, Duddu S.; Shinde, Anand H.; Patel, Srilaxmi M.; Vidyacharan, Shinde","Scaffold Diversity through a Branching Double-Annulation Cascade Strategy: Iminium-Induced One-Pot Synthesis of Diverse Fused Tetrahydroisoquinoline Scaffolds.","The Journal of organic chemistry","2016","81","15","6463","6471","10.1021/acs.joc.6b01096","","","1.54184","CuKα","","0.0627","0.0609","","","0.1603","0.1628","","","","","","1.061","","","","has coordinates","235489","2020-10-21","18:00:00",""
"4036969","8.2","0.004","6.899","0.004","12.679","0.008","90","","102.281","0.006","90","","700.9","0.7","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","5-(5-diazonium-1,2,3-triazolat-4-yl)-1H-tetrazole hydrate","","- C3 H3 N9 O -","- C3 H3 N9 O -","- C12 H12 N36 O4 -","4","1","","Klapötke, Thomas M; Krumm, Burkhard; Pflüger, Carolin","Isolation of a Moderately Stable but Sensitive Zwitterionic Diazonium Tetrazolyl-1,2,3-triazolate.","The Journal of organic chemistry","2016","81","14","6123","6127","10.1021/acs.joc.6b01098","","","0.71069","MoKα","","0.0545","0.04","","","0.0979","0.1074","","","","","","1.067","","","","has coordinates","235491","2020-10-21","18:00:00",""
"4036970","19.6918","0.0001","19.6918","0.0001","19.3835","0.0002","90","","90","","90","","7516.28","0.09","100","0.1","100","0.1","","","","","","","","3","P 4/n :2","-P 4a","85","","","","- C46.25 H48 O6.5 -","- C46.25 H48 O6.5 -","- C370 H384 O52 -","8","1","","Stefańska, Karolina; Jędrzejewska, Hanna; Wierzbicki, Michał; Szumna, Agnieszka; Iwanek, Waldemar","The Inverse Demand Oxa-Diels-Alder Reaction of Resorcinarenes: An Experimental and Theoretical Analysis of Regioselectivity and Diastereoselectivity.","The Journal of organic chemistry","2016","81","14","6018","6025","10.1021/acs.joc.6b01099","","","1.54184","CuKα","","0.0693","0.0618","","","0.1915","0.2012","","","","","","0.871","","","","has coordinates,has disorder","235492","2020-10-21","18:00:00",""
"4036971","14.2464","0.0004","15.6824","0.0006","21.1893","0.0006","77.808","0.003","89.936","0.002","68.049","0.003","4276","0.3","100.01","0.1","100.01","0.1","","","","","","","","3","P -1","-P 1","2","","","","- C98 H104 O8 -","- C98 H104 O8 -","- C196 H208 O16 -","2","1","","Stefańska, Karolina; Jędrzejewska, Hanna; Wierzbicki, Michał; Szumna, Agnieszka; Iwanek, Waldemar","The Inverse Demand Oxa-Diels-Alder Reaction of Resorcinarenes: An Experimental and Theoretical Analysis of Regioselectivity and Diastereoselectivity.","The Journal of organic chemistry","2016","81","14","6018","6025","10.1021/acs.joc.6b01099","","","1.54184","CuKα","","0.0707","0.0616","","","0.1716","0.1766","","","","","","1.049","","","","has coordinates,has disorder","235494","2020-10-21","18:00:00",""
"4036972","30.1898","0.0004","6.3221","0.0001","21.9555","0.0003","90","","115.323","0.001","90","","3787.83","0.1","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","eag219.1","","","- C20 H27 N O4 -","- C20 H27 N O4 -","- C160 H216 N8 O32 -","8","1","","Arpa, Enrique M.; González-Esguevillas, María; Pascual-Escudero, Ana; Adrio, Javier; Carretero, Juan C.","Catalytic Asymmetric Synthesis of Bicycloprolines by a 1,3-Dipolar Cycloaddition/Intramolecular Alkylation Strategy.","The Journal of organic chemistry","2016","81","14","6128","6135","10.1021/acs.joc.6b01100","","","0.71073","","","0.0635","0.0432","","","0.1208","0.1463","","","","","","1.074","","","","has coordinates","235496","2020-10-21","18:00:00",""
"4036973","9.9626","0.0002","14.5776","0.0004","17.0821","0.0004","90","","90","","90","","2480.85","0.1","150","","150","","","","","","","","","5","P c 21 n","P -2n -2ac","33","","","","- C12 H16 I N O -","- C12 H16 I N O -","- C96 H128 I8 N8 O8 -","8","2","","Davies, Stephen G.; Figuccia, Aude L. A.; Fletcher Paul, Ai M.; Roberts, M.; Thomson, James E.","Asymmetric Syntheses of (-)-ADMJ and (+)-ADANJ: 2-Deoxy-2-amino Analogues of (-)-1-Deoxymannojirimycin and (+)-1-Deoxyallonojirimycin.","The Journal of organic chemistry","2016","81","15","6481","6495","10.1021/acs.joc.6b01107","","","0.71073","MoKα","","0.0379","0.0291","","0.0618","0.0585","0.0618","","","","","","1.0031","","","","has coordinates","235498","2020-10-21","18:00:00",""
"4036974","20.4099","0.0004","5.74096","0.00012","16.7887","0.0004","90","","106.159","0.002","90","","1889.46","0.07","150","","150","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H22 N2 O4 S -","- C20 H22 N2 O4 S -","- C80 H88 N8 O16 S4 -","4","1","","Davies, Stephen G.; Figuccia, Aude L. A.; Fletcher Paul, Ai M.; Roberts, M.; Thomson, James E.","Asymmetric Syntheses of (-)-ADMJ and (+)-ADANJ: 2-Deoxy-2-amino Analogues of (-)-1-Deoxymannojirimycin and (+)-1-Deoxyallonojirimycin.","The Journal of organic chemistry","2016","81","15","6481","6495","10.1021/acs.joc.6b01107","","","1.54184","CuKα","","0.0431","0.037","","0.0974","0.0918","0.0972","","","","","","0.9959","","","","has coordinates","235498","2020-10-21","18:00:00",""
"4036975","14.6607","0.0002","15.61716","0.00019","31.711","0.0004","90","","90","","90","","7260.5","0.16","150","","150","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C36 H52 N2 O5 S Si -","- C36 H52 N2 O5 S Si -","- C288 H416 N16 O40 S8 Si8 -","8","2","","Davies, Stephen G.; Figuccia, Aude L. A.; Fletcher Paul, Ai M.; Roberts, M.; Thomson, James E.","Asymmetric Syntheses of (-)-ADMJ and (+)-ADANJ: 2-Deoxy-2-amino Analogues of (-)-1-Deoxymannojirimycin and (+)-1-Deoxyallonojirimycin.","The Journal of organic chemistry","2016","81","15","6481","6495","10.1021/acs.joc.6b01107","","","1.5418","CuKα","","0.0367","0.0351","","0.0916","0.09","0.0916","","","","","","1.0003","","","","has coordinates","235498","2020-10-21","18:00:00",""
"4036976","12.096","0.0009","11.34","0.0008","7.9095","0.0006","90","","92.061","0.002","90","","1084.23","0.14","120","","120","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(3Z)-4-[(4-iodo-2-methylphenyl)amino]but-3-en-2-one","","- C11 H12 I N O -","- C11 H12 I N O -","- C44 H48 I4 N4 O4 -","4","1","","Chisholm, David R.; Valentine, Roy; Pohl, Ehmke; Whiting, Andrew","Conjugate Addition of 3-Buytn-2-one to Anilines in Ethanol: Alkene Geometric Insights through In Situ FTIR Monitoring.","The Journal of organic chemistry","2016","81","17","7557","7565","10.1021/acs.joc.6b01110","","x-ray","0.71073","MoKα","","0.0805","0.0731","","","0.1795","0.1865","","","","","","1.073","","","","has coordinates","235500","2020-10-21","18:00:00",""
"4036977","15.2021","0.0011","5.4894","0.0004","15.9041","0.0012","90","","113.345","0.001","90","","1218.55","0.16","120","","120","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","4-{[(1Z)-3-Oxobut-1-en-1-yl]amino}benzoate","","- C13 H15 N O3 -","- C13 H15 N O3 -","- C52 H60 N4 O12 -","4","1","","Chisholm, David R.; Valentine, Roy; Pohl, Ehmke; Whiting, Andrew","Conjugate Addition of 3-Buytn-2-one to Anilines in Ethanol: Alkene Geometric Insights through In Situ FTIR Monitoring.","The Journal of organic chemistry","2016","81","17","7557","7565","10.1021/acs.joc.6b01110","","x-ray","1.54178","CuKα","","0.0402","0.0399","","","0.1058","0.1062","","","","","","1.038","","","","has coordinates","235502","2020-10-21","18:00:00",""
"4036978","7.4228","0.0019","11.744","0.003","21.248","0.005","90","","90","","90","","1852.3","0.8","300","2","300","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H21 N5 O6 -","- C18.001 H21 N5 O6 -","- C72.004 H84 N20 O24 -","4","1","","García-Arriaga, Marilyn; Hobley, Gerard; Rivera, José M","Structural Studies of Supramolecular G-Quadruplexes Formed from 8-Aryl-2'-deoxyguanosine Derivatives.","The Journal of organic chemistry","2016","81","14","6026","6035","10.1021/acs.joc.6b01113","","","0.71073","MoKα","","0.1814","0.0915","","","0.122","0.1398","","","","","","1.163","","","","has coordinates,has disorder","235504","2020-10-21","18:00:00",""
"4036979","14.2186","0.0009","18.7376","0.0012","19.3927","0.0012","104.395","0.002","91.811","0.002","92.565","0.002","4994.6","0.5","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C82 H62 N10 O10 -","- C82 H62 N10 O10 -","- C164 H124 N20 O20 -","2","1","","Zhang, Rui-Feng; Hu, Wen-Jing; Liu, Yahu A.; Zhao, Xiao-Li; Li, Jiu-Sheng; Jiang, Biao; Wen, Ke","A Shape-Persistent Cryptand for Capturing Polycyclic Aromatic Hydrocarbons.","The Journal of organic chemistry","2016","81","13","5649","5654","10.1021/acs.joc.6b01115","","","0.71073","MoKα","","0.1846","0.1137","","","0.3174","0.3533","","","","","","0.978","","","","has coordinates","235506","2020-10-21","18:00:00",""
"4036980","14.259","0.003","18.033","0.003","20.014","0.004","65.263","0.003","87.57","0.003","73.367","0.003","4460.7","1.5","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C73 H60 Cl6 N10 O10 -","- C73 H60 Cl6 N10 O10 -","- C146 H120 Cl12 N20 O20 -","2","1","","Zhang, Rui-Feng; Hu, Wen-Jing; Liu, Yahu A.; Zhao, Xiao-Li; Li, Jiu-Sheng; Jiang, Biao; Wen, Ke","A Shape-Persistent Cryptand for Capturing Polycyclic Aromatic Hydrocarbons.","The Journal of organic chemistry","2016","81","13","5649","5654","10.1021/acs.joc.6b01115","","","0.71073","MoKα","","0.2215","0.1377","","","0.3548","0.405","","","","","","1.133","","","","has coordinates","235508","2020-10-21","18:00:00",""
"4036981","10.4424","0.0009","21.6082","0.0016","9.1581","0.0009","90","","109.547","0.004","90","","1947.4","0.3","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C20 H22 F N3 O3 S -","- C20 H22 F N3 O3 S -","- C80 H88 F4 N12 O12 S4 -","4","1","","Bosnidou, Alexandra E.; Millán, Alba; Ceballos, Javier; Martínez, Claudio; Muñiz, Kilian","Iodine(III)-Mediated Selective Intermolecular C-H Amination for the Chemical Diversification of Tryptamines.","The Journal of organic chemistry","2016","81","15","6496","6504","10.1021/acs.joc.6b01118","","","0.71073","MoKα","","0.0482","0.0412","","","0.1017","0.1054","","","","","","1.074","","","","has coordinates","235510","2020-10-21","18:00:00",""
"4036982","9.5212","0.0003","45.993","0.0011","10.9044","0.0004","90","","112.281","0.004","90","","4418.6","0.3","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H16 N2 O2 -","- C18 H16 N2 O2 -","- C216 H192 N24 O24 -","12","3","","Bosnidou, Alexandra E.; Millán, Alba; Ceballos, Javier; Martínez, Claudio; Muñiz, Kilian","Iodine(III)-Mediated Selective Intermolecular C-H Amination for the Chemical Diversification of Tryptamines.","The Journal of organic chemistry","2016","81","15","6496","6504","10.1021/acs.joc.6b01118","","","0.7107","MoKα","","0.0799","0.0667","","","0.1649","0.1697","","","","","","1.203","","","","has coordinates","235512","2020-10-21","18:00:00",""
"4036983","7.3361","0.0004","12.4151","0.0007","12.693","0.0007","104.52","0.002","93.01","0.002","98.217","0.002","1102.93","0.11","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C21 H25 Cl2 N3 O4 S -","- C21 H25 Cl2 N3 O4 S -","- C42 H50 Cl4 N6 O8 S2 -","2","1","","Bosnidou, Alexandra E.; Millán, Alba; Ceballos, Javier; Martínez, Claudio; Muñiz, Kilian","Iodine(III)-Mediated Selective Intermolecular C-H Amination for the Chemical Diversification of Tryptamines.","The Journal of organic chemistry","2016","81","15","6496","6504","10.1021/acs.joc.6b01118","","","0.71073","MoKα","","0.0693","0.0597","","","0.1749","0.1842","","","","","","1.037","","","","has coordinates","235514","2020-10-21","18:00:00",""
"4036984","8.2348","0.0009","16.2497","0.0018","18.833","0.002","90","","90","","90","","2520.1","0.5","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C22 H26 F3 N3 O7 S -","- C22 H26 F3 N3 O7 S -","- C88 H104 F12 N12 O28 S4 -","4","1","","Bosnidou, Alexandra E.; Millán, Alba; Ceballos, Javier; Martínez, Claudio; Muñiz, Kilian","Iodine(III)-Mediated Selective Intermolecular C-H Amination for the Chemical Diversification of Tryptamines.","The Journal of organic chemistry","2016","81","15","6496","6504","10.1021/acs.joc.6b01118","","","0.71073","MoKα","","0.0637","0.0437","","","0.1001","0.1082","","","","","","1.055","","","","has coordinates,has disorder","235516","2020-10-21","18:00:00",""
"4036985","16.845","0.002","10.5896","0.0013","16.493","0.002","90","","102.939","0.005","90","","2867.3","0.6","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C28 H30 I N3 O5.5 S2 -","- C28 H30 I N3 O5.5 S2 -","- C112 H120 I4 N12 O22 S8 -","4","1","","Bosnidou, Alexandra E.; Millán, Alba; Ceballos, Javier; Martínez, Claudio; Muñiz, Kilian","Iodine(III)-Mediated Selective Intermolecular C-H Amination for the Chemical Diversification of Tryptamines.","The Journal of organic chemistry","2016","81","15","6496","6504","10.1021/acs.joc.6b01118","","","0.71073","MoKα","","0.0753","0.0462","","","0.1088","0.1229","","","","","","1.025","","","","has coordinates,has disorder","235518","2020-10-21","18:00:00",""
"4036986","9.2918","0.0005","20.7021","0.001","16.4894","0.0008","90","","98.469","0.002","90","","3137.3","0.3","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C27 H27 Cl2 I2 N3 O5 S2 -","- C27 H27 Cl2 I2 N3 O5 S2 -","- C108 H108 Cl8 I8 N12 O20 S8 -","4","1","","Bosnidou, Alexandra E.; Millán, Alba; Ceballos, Javier; Martínez, Claudio; Muñiz, Kilian","Iodine(III)-Mediated Selective Intermolecular C-H Amination for the Chemical Diversification of Tryptamines.","The Journal of organic chemistry","2016","81","15","6496","6504","10.1021/acs.joc.6b01118","","","0.71073","MoKα","","0.0682","0.0424","","","0.0929","0.1037","","","","","","1.058","","","","has coordinates,has disorder","235519","2020-10-21","18:00:00",""
"4036987","6.4015","0.0005","14.5239","0.0011","15.7276","0.0013","90","","93.4818","0.0015","90","","1459.6","0.2","191","2","191.5","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C17 H14 Cl N3 O -","- C17 H14 Cl N3 O -","- C68 H56 Cl4 N12 O4 -","4","1","","Zhang, Qian; Yu, Mangfei; Yuan, Jingwen; Zhang, Rui; Liang, Yongjiu; Tian, Jiamei; Dong, Dewen","Formal [4 + 1] Annulation of α-Arylhydrazonoketones and Dimethylsulfoxonium Methylide: One-pot Synthesis of Substituted Pyrazoles and Dihydropyrazoles.","The Journal of organic chemistry","2016","81","14","6036","6041","10.1021/acs.joc.6b01127","","x-ray","0.71","MoKα","","0.0858","0.0567","","","0.1142","0.1279","","","","","","1.053","","","","has coordinates","235520","2020-10-21","18:00:00",""
"4036988","18.9453","0.0019","6.9618","0.0007","20.894","0.003","90","","90","","90","","2755.8","0.6","293","2","293.15","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C18 H11 N3 -","- C18 H11 N3 -","- C144 H88 N24 -","8","1","","Mishra, Aniket; Vats, Tripta Kumari; Deb, Indubhusan","Ruthenium-Catalyzed Direct and Selective C-H Cyanation of N-(Hetero)aryl-7-azaindoles.","The Journal of organic chemistry","2016","81","15","6525","6534","10.1021/acs.joc.6b01148","","","0.71073","MoKα","","0.1657","0.0547","","","0.1316","0.1993","","","","","","0.92","","","","has coordinates","235522","2020-10-21","18:00:00",""
"4036989","8.3659","0.0017","11.415","0.002","12.415","0.003","110.78","0.03","90.62","0.03","106.74","0.03","1053","0.5","295","2","295","2","","","","","","","","4","P -1","-P 1","2","","","","- C27 H21 N O2 -","- C27 H21 N O2 -","- C54 H42 N2 O4 -","2","1","","Wan, Jie-Ping; Jing, Yanfeng; Hu, Changfeng; Sheng, Shouri","Metal-Free Synthesis of Fully Substituted Pyridines via Ring Construction Based on the Domino Reactions of Enaminones and Aldehydes.","The Journal of organic chemistry","2016","81","15","6826","6831","10.1021/acs.joc.6b01149","","","0.71073","MoKα","","0.0796","0.0466","","","0.1205","0.1667","","","","","","1.14","","","","has coordinates","235523","2020-10-21","18:00:00",""
"4036990","5.3511","0.0009","22.84","0.004","23.657","0.004","66.346","0.002","83.962","0.002","89.04","0.002","2632.7","0.8","123","2","123","2","","","","","","","","4","P -1","-P 1","2","","","","- C65 H68 N4 O5 -","- C65 H68 N4 O5 -","- C130 H136 N8 O10 -","2","1","","Ikeda, Toshiaki; Iijima, Tatsuya; Sekiya, Ryo; Takahashi, Osamu; Haino, Takeharu","Cooperative Self-Assembly of Carbazole Derivatives Driven by Multiple Dipole-Dipole Interactions.","The Journal of organic chemistry","2016","81","15","6832","6837","10.1021/acs.joc.6b01169","","","0.71073","MoKα","","0.1293","0.0623","","","0.1544","0.1791","","","","","","1.061","","","","has coordinates,has disorder","235525","2020-10-21","18:00:00",""
"4036991","19.9936","0.0016","7.5823","0.0006","20.3944","0.0018","90","","91.36","0.002","90","","3090.9","0.4","130","","130","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C13 H10 F3 N O4 S3 -","- C13 H10 F3 N O4 S3 -","- C104 H80 F24 N8 O32 S24 -","8","2","","Zhang, Panpan; Li, Man; Xue, Xiao-Song; Xu, Chunfa; Zhao, Qunchao; Liu, Yafei; Wang, Haoyang; Guo, Yinlong; Lu, Long; Shen, Qilong","N-Trifluoromethylthio-dibenzenesulfonimide: A Shelf-Stable, Broadly Applicable Electrophilic Trifluoromethylthiolating Reagent.","The Journal of organic chemistry","2016","81","17","7486","7509","10.1021/acs.joc.6b01178","","","0.71073","MoKα","","0.0892","0.0469","","","0.0934","0.1092","","","","","","1.012","","","","has coordinates","235526","2020-10-21","18:00:00",""
"4036992","10.8737","0.0008","11.5374","0.0007","12.6318","0.0009","90","","91.379","0.007","90","","1584.25","0.19","173","2","173","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C17 H26 O5 -","- C17 H26 O5 -","- C68 H104 O20 -","4","1","","Schröder, Peter; Bauer, Jonathan O.; Strohmann, Carsten; Kumar, Kamal; Waldmann, Herbert","Synthesis of an Iridoid-Inspired Compound Collection and Discovery of Autophagy Inhibitors.","The Journal of organic chemistry","2016","81","21","10242","10255","10.1021/acs.joc.6b01185","","","0.71073","MoKα","","0.06","0.0379","","","0.0715","0.0739","","","","","","1.004","","","","has coordinates","235528","2020-10-21","18:00:00",""
"4036993","6.6638","0.0003","6.7128","0.0004","23.7243","0.0011","83.956","0.004","87.265","0.004","61.768","0.005","929.81","0.09","173","2","173.15","","","","","","","","","5","P -1","-P 1","2","","","","- C21 H17 Cl2 F O5 -","- C21 H17 Cl2 F O5 -","- C42 H34 Cl4 F2 O10 -","2","1","","Schröder, Peter; Bauer, Jonathan O.; Strohmann, Carsten; Kumar, Kamal; Waldmann, Herbert","Synthesis of an Iridoid-Inspired Compound Collection and Discovery of Autophagy Inhibitors.","The Journal of organic chemistry","2016","81","21","10242","10255","10.1021/acs.joc.6b01185","","","0.71073","MoKα","","0.0458","0.0405","","","0.1044","0.1077","","","","","","1.087","","","","has coordinates","235530","2020-10-21","18:00:00",""
"4036994","8.8789","0.0005","11.4732","0.0007","12.3178","0.0007","90","","90.436","0.005","90","","1254.77","0.13","173","2","173.15","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C13 H22 O4 -","- C13 H22 O4 -","- C52 H88 O16 -","4","1","","Schröder, Peter; Bauer, Jonathan O.; Strohmann, Carsten; Kumar, Kamal; Waldmann, Herbert","Synthesis of an Iridoid-Inspired Compound Collection and Discovery of Autophagy Inhibitors.","The Journal of organic chemistry","2016","81","21","10242","10255","10.1021/acs.joc.6b01185","","","0.71073","MoKα","","0.0594","0.0389","","","0.093","0.0968","","","","","","1.007","","","","has coordinates","235532","2020-10-21","18:00:00",""
"4036995","5.7496","0.0005","14.9245","0.0015","15.4463","0.0015","99.866","0.009","93.978","0.008","96.051","0.008","1293.4","0.2","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- C17 H15 N -","- C17 H15 N -","- C68 H60 N4 -","4","2","","Saunthwal, Rakesh K.; Patel, Monika; Verma, Akhilesh K.","Regioselective Synthesis of C-3-Functionalized Quinolines via Hetero-Diels-Alder Cycloaddition of Azadienes with Terminal Alkynes.","The Journal of organic chemistry","2016","81","15","6563","6572","10.1021/acs.joc.6b01186","","","0.71073","MoKα","","0.1587","0.0805","","","0.1942","0.2319","","","","","","1.029","","","","has coordinates","235533","2020-10-21","18:00:00",""
"4036996","8.517","0.005","6.258","0.003","18.063","0.009","90","","102.457","0.006","90","","940.1","0.9","298","2","298","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C17 H27 O2 P S -","- C17 H27 O2 P S -","- C34 H54 O4 P2 S2 -","2","1","","Wang, Wei-Min; Liu, Li-Juan; Yao, Lan; Meng, Fan-Jie; Sun, Yong-Ming; Zhao, Chang-Qiu; Xu, Qing; Han, Li-Biao","Stereospecific Preparations of P-Stereogenic Phosphonothioates and Phosphonoselenoates.","The Journal of organic chemistry","2016","81","15","6843","6847","10.1021/acs.joc.6b01192","","","0.71073","MoKα","","0.0774","0.0536","","","0.1095","0.1229","","","","","","1.068","","","","has coordinates","235535","2020-10-21","18:00:00",""
"4036997","8.7872","0.0005","18.8893","0.0011","26.3974","0.0015","90","","90","","90","","4381.5","0.4","291.98","0.1","291.98","0.1","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C24 H26 Cl2 N Rh -","- C24 H26 Cl2 N Rh -","- C192 H208 Cl16 N8 Rh8 -","8","1","","Huang, Qiufeng; Han, Qingshuai; Fu, Shurong; Yao, Zizhu; Su, Lv; Zhang, Xiaofeng; Lin, Shen; Xiang, Shengchang","Rhodium-Catalyzed NH-Indole-Directed C-H Carbonylation with Carbon Monoxide: Synthesis of 6H-Isoindolo[2,1-a]indol-6-ones.","The Journal of organic chemistry","2016","81","24","12135","12142","10.1021/acs.joc.6b01200","","x-ray","1.54184","CuKα","","0.15","0.061","","","0.0822","0.1098","","","","","","1.016","","","","has coordinates","235537","2020-10-21","18:00:00",""
"4036998","21.1977","0.0011","8.1725","0.0004","18.3385","0.0008","90","","116.146","0.002","90","","2851.8","0.2","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C17 H11 I N2 O -","- C17 H11 I N2 O -","- C136 H88 I8 N16 O8 -","8","1","","Giardinetti, Maxime; Marrot, Jérôme; Moreau, Xavier; Coeffard, Vincent; Greck, Christine","Asymmetric Synthesis of Fused Polycyclic Indazoles through Aminocatalyzed Aza-Michael Addition/Intramolecular Cyclization.","The Journal of organic chemistry","2016","81","15","6855","6861","10.1021/acs.joc.6b01201","","","0.71073","MoKα","","0.0409","0.0352","","","0.0903","0.1039","","","","","","1.203","","","","has coordinates","235538","2020-10-21","18:00:00",""
"4036999","25.615","0.003","9.9269","0.0012","24.134","0.003","90","","91.404","0.002","90","","6134.9","1.3","120","2","120","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C18 H16 I2 -","- C18 H16 I2 -","- C288 H256 I32 -","16","2","","Herres, Joseph P.; Moran, Caitlin A.; Forman, Mark A.; Hall, James E.; McCauley, Jr, John P; Pivonka, Don E.; Wesolowski, Steven S.","Structures and Rotational Barriers of a Diiodobinorsnoutane: Energetic Preference for Gauche Conformation.","The Journal of organic chemistry","2016","81","15","6862","6866","10.1021/acs.joc.6b01204","","","0.71073","MoKα","","0.0382","0.0319","","","0.078","0.0817","","","","","","1.015","","","","has coordinates","235540","2020-10-21","18:00:00",""
"4037000","14.0381","0.0011","14.1845","0.0011","14.876","0.0012","80.151","0.005","62.153","0.005","63.603","0.004","2343.5","0.4","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C56 H58 B2 N4 O2 -","- C56 H58 B2 N4 O2 -","- C112 H116 B4 N8 O4 -","2","1","","Tasior, Mariusz; Gryko, Daniel T.","Synthesis and Properties of Ladder-Type BN-Heteroacenes and Diazabenzoindoles Built on a Pyrrolopyrrole Scaffold.","The Journal of organic chemistry","2016","81","15","6580","6586","10.1021/acs.joc.6b01209","","","1.54178","CuKα","","0.1466","0.0869","","","0.2108","0.2295","","","","","","1.066","","","","has coordinates,has disorder","235542","2020-10-21","18:00:00",""
"4037001","9.5835","0.0013","10.586","0.002","11.7122","0.0018","95.186","0.015","94.476","0.012","102.71","0.014","1148.5","0.3","293.42","0.1","293.42","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C26 H23 Cl2 N0.5 O2 S -","- C24 H23 Cl N2 O2 S2 -","- C48 H46 Cl2 N4 O4 S4 -","2","1","","Xie, Ting; Xiao, Yu; Zhao, Shuai; Hu, Xiu-Qin; Xu, Peng-Fei","Catalyst-Free Chemoselective Synthesis of 3,4-Dihydroquinazoline-2-thiones and 2-Imino[1,3]benzothiazines.","The Journal of organic chemistry","2016","81","21","10499","10505","10.1021/acs.joc.6b01232","","x-ray","0.71073","MoKα","","0.097","0.056","","","0.1153","0.1475","","","","","","1.048","","","","has coordinates","235543","2020-10-21","18:00:00",""
"4037002","7.0643","0.001","19.913","0.004","13.651","0.002","90","","101.208","0.015","90","","1883.7","0.5","295.38","0.1","295.38","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C22 H17 Br N2 O S -","- C22 H17 Br N2 O S -","- C88 H68 Br4 N8 O4 S4 -","4","1","","Xie, Ting; Xiao, Yu; Zhao, Shuai; Hu, Xiu-Qin; Xu, Peng-Fei","Catalyst-Free Chemoselective Synthesis of 3,4-Dihydroquinazoline-2-thiones and 2-Imino[1,3]benzothiazines.","The Journal of organic chemistry","2016","81","21","10499","10505","10.1021/acs.joc.6b01232","","x-ray","0.71073","MoKα","","0.1775","0.0594","","","0.121","0.1346","","","","","","0.734","","","","has coordinates","235545","2020-10-21","18:00:00",""
"4037003","8.3265","0.0002","10.1974","0.0003","38.2435","0.0016","90","","90","","90","","3247.2","0.18","293","2","293.15","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C30 H41 N3 O7 S -","- C30 H41 N3 O7 S -","- C120 H164 N12 O28 S4 -","4","1","","Huang, Hong-Xiu; Wang, Hui-Jing; Tan, Ling; Wang, Shu-Qing; Tang, Pei; Song, Hao; Liu, Xiao-Yu; Zhang, Dan; Qin, Yong","Asymmetric Michael Addition Induced by (R)-tert-Butanesulfinamide and Syntheses of Chiral Pyrazolidinone Derivatives.","The Journal of organic chemistry","2016","81","21","10506","10516","10.1021/acs.joc.6b01237","","x-ray","0.71073","MoKα","","0.0897","0.0667","","","0.1858","0.2072","","","","","","1.041","","","","has coordinates,has disorder","235546","2020-10-21","18:00:00",""
"4037004","14.6277","0.0013","11.2274","0.001","9.0326","0.0007","90","","92.402","0.004","90","","1482.1","0.2","293.15","","293.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","3-methyl-2-(1-(p-tolyl)vinyl)quinazolin-4(3H)-one","","- C18 H16 N2 O -","- C18 H16 N2 O -","- C72 H64 N8 O4 -","4","1","","Kundu, Priyanka; Mondal, Amrita; Chowdhury, Chinmay","A Palladium-Catalyzed Method for the Synthesis of 2-(α-Styryl)-2,3-dihydroquinazolin-4-ones and 3-(α-Styryl)-3,4-dihydro-1,2,4-benzothiadiazine-1,1-dioxide: Access to 2-(α-Styryl)quinazolin-4(3H)-ones and 3-(α-Styryl)-1,2,4-benzothiadiazine-1,1-dioxides.","The Journal of organic chemistry","2016","81","15","6596","6608","10.1021/acs.joc.6b01242","","x-ray","0.71073","MoKα","","0.0719","0.0451","","","0.1135","0.1377","","","","","","1.03","","","","has coordinates","235548","2020-10-21","18:00:00",""
"4037005","12.154","0.005","22.713","0.008","8.812","0.003","90","","100.95","0.02","90","","2388.3","1.5","293","2","293.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Methyl 4-[1-(2-methyl-1,1-dioxido-4-tosyl-3,4-dihydro-2H-benzo[e][1,2,4]thiadiazin-3-yl)vinyl]benzoate","","- C25 H24 N2 O6 S2 -","- C25 H24 N2 O6 S2 -","- C100 H96 N8 O24 S8 -","4","1","","Kundu, Priyanka; Mondal, Amrita; Chowdhury, Chinmay","A Palladium-Catalyzed Method for the Synthesis of 2-(α-Styryl)-2,3-dihydroquinazolin-4-ones and 3-(α-Styryl)-3,4-dihydro-1,2,4-benzothiadiazine-1,1-dioxide: Access to 2-(α-Styryl)quinazolin-4(3H)-ones and 3-(α-Styryl)-1,2,4-benzothiadiazine-1,1-dioxides.","The Journal of organic chemistry","2016","81","15","6596","6608","10.1021/acs.joc.6b01242","","x-ray","0.71073","MoKα","","0.1002","0.054","","","0.1442","0.1713","","","","","","0.941","","","","has coordinates","235550","2020-10-21","18:00:00",""
"4037006","8.0522","0.0011","11.3712","0.0017","12.2775","0.0019","82.627","0.01","81.964","0.01","77.726","0.009","1082","0.3","293.15","","293.15","","","","","","","","","5","P -1","-P 1","2","","3-methyl-2-(1-phenylvinyl)-1-tosyl-2,3-dihydroquinazolin-4(1H)-one","","- C24 H22 N2 O3 S -","- C24 H22 N2 O3 S -","- C48 H44 N4 O6 S2 -","2","1","","Kundu, Priyanka; Mondal, Amrita; Chowdhury, Chinmay","A Palladium-Catalyzed Method for the Synthesis of 2-(α-Styryl)-2,3-dihydroquinazolin-4-ones and 3-(α-Styryl)-3,4-dihydro-1,2,4-benzothiadiazine-1,1-dioxide: Access to 2-(α-Styryl)quinazolin-4(3H)-ones and 3-(α-Styryl)-1,2,4-benzothiadiazine-1,1-dioxides.","The Journal of organic chemistry","2016","81","15","6596","6608","10.1021/acs.joc.6b01242","","","0.71073","MoKα","","0.1128","0.0511","","","0.1313","0.1597","","","","","","0.992","","","","has coordinates","235552","2020-10-21","18:00:00",""
"4037007","7.0264","0.0013","14.456","0.003","15.504","0.003","90","","93.11","0.012","90","","1572.5","0.5","293.15","","293.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","methyl 4-(1-(3-methyl-4-oxo-1,2,3,4-tetrahydroquinazolin-2-yl)vinyl)benzoate","","- C19 H18 N2 O3 -","- C19 H18 N2 O3 -","- C76 H72 N8 O12 -","4","1","","Kundu, Priyanka; Mondal, Amrita; Chowdhury, Chinmay","A Palladium-Catalyzed Method for the Synthesis of 2-(α-Styryl)-2,3-dihydroquinazolin-4-ones and 3-(α-Styryl)-3,4-dihydro-1,2,4-benzothiadiazine-1,1-dioxide: Access to 2-(α-Styryl)quinazolin-4(3H)-ones and 3-(α-Styryl)-1,2,4-benzothiadiazine-1,1-dioxides.","The Journal of organic chemistry","2016","81","15","6596","6608","10.1021/acs.joc.6b01242","","x-ray","0.71073","MoKα","","0.0718","0.0458","","","0.1105","0.1281","","","","","","1.027","","","","has coordinates","235553","2020-10-21","18:00:00",""
"4037008","7.9587","0.0006","9.949","0.0009","10.9208","0.001","112.261","0.008","103.489","0.007","90.299","0.007","773.98","0.13","298","2","298","","","","","","","","","4","P -1","-P 1","2","","","","- C17 H17 N O4 -","- C17 H17 N O4 -","- C34 H34 N2 O8 -","2","1","","Ramakrishna, Kankanala; Sivasankar, Chinnappan","Synthesis of Aminobenzoic Acid Derivatives via Chemoselective Carbene Insertion into the -NH Bond Catalyzed by Cu(I) Complex.","The Journal of organic chemistry","2016","81","15","6609","6616","10.1021/acs.joc.6b01249","","","0.71073","MoKα","","0.1049","0.0644","","","0.1557","0.1828","","","","","","1.0978","","","","has coordinates","235555","2020-10-21","18:00:00",""
"4037009","20.851","0.004","7.341","0.002","20.98","0.004","90","","108.138","0.012","90","","3051.8","1.2","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H17 N O3 -","- C19 H17 N O3 -","- C152 H136 N8 O24 -","8","2","","Dong, Wuheng; Hu, Bei; Gao, Xiaoshuang; Li, Yuyuan; Xie, Xiaomin; Zhang, Zhaoguo","Visible-Light-Induced Photocatalytic Aerobic Oxidation/Povarov Cyclization Reaction: Synthesis of Substituted Quinoline-Fused Lactones.","The Journal of organic chemistry","2016","81","19","8770","8776","10.1021/acs.joc.6b01253","","","1.54178","CuKα","","0.0468","0.043","","","0.1153","0.1187","","","","","","1.055","","","","has coordinates","235557","2020-10-21","18:00:00",""
"4037010","13.1126","0.0011","6.5684","0.0006","13.1785","0.0011","90","","90.335","0.002","90","","1135.03","0.17","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C9 H11 Br O3 S2 -","- C9 H11 Br O3 S2 -","- C36 H44 Br4 O12 S8 -","4","1","","Acosta, Jaime A. M.; Muddala, Ramesh; Barbosa, Luiz C. A.; Boukouvalas, John","Total Synthesis of the Antitumor Antibiotic Basidalin.","The Journal of organic chemistry","2016","81","15","6883","6886","10.1021/acs.joc.6b01255","","x-ray","1.34139","GaKα","","0.0272","0.0272","","","0.07","0.07","","","","","","1.193","","","","has coordinates","235559","2020-10-21","18:00:00",""
"4037011","8.309","0.01","9.627","0.011","19.08","0.02","90","","90","","90","","1526","3","296","2","296","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C5 H8 N6 -","- C5 H8 N6 -","- C40 H64 N48 -","8","1","","Chourasiya, Sumit S.; Kathuria, Deepika; Nikam, Sampada S.; Ramakrishnan, Ashok; Khullar, Sadhika; Mandal, Sanjay K.; Chakraborti, Asit K.; Bharatam, Prasad V.","Azine-Hydrazone Tautomerism of Guanylhydrazones: Evidence for the Preference Toward the Azine Tautomer.","The Journal of organic chemistry","2016","81","17","7574","7583","10.1021/acs.joc.6b01258","","","0.71073","MoKα","","0.0528","0.0425","","","0.1255","0.1352","","","","","","1.016","","","","has coordinates","235560","2020-10-21","18:00:00",""
"4037012","8.887","0.017","10.048","0.019","12.94","0.02","104.87","0.02","101.59","0.03","111.32","0.03","983","3","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C20 H26 N4 O4 -","- C20 H26 N4 O4 -","- C40 H52 N8 O8 -","2","1","","Chourasiya, Sumit S.; Kathuria, Deepika; Nikam, Sampada S.; Ramakrishnan, Ashok; Khullar, Sadhika; Mandal, Sanjay K.; Chakraborti, Asit K.; Bharatam, Prasad V.","Azine-Hydrazone Tautomerism of Guanylhydrazones: Evidence for the Preference Toward the Azine Tautomer.","The Journal of organic chemistry","2016","81","17","7574","7583","10.1021/acs.joc.6b01258","","","0.71073","MoKα","","0.1017","0.082","","","0.2138","0.2318","","","","","","0.992","","","","has coordinates","235560","2020-10-21","18:00:00",""
"4037013","7.446","0.0013","11.786","0.002","21.591","0.004","90","","90","","90","","1894.8","0.6","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C19 H23 Cl N4 O3 -","- C19 H23 Cl N4 O3 -","- C76 H92 Cl4 N16 O12 -","4","1","","Chourasiya, Sumit S.; Kathuria, Deepika; Nikam, Sampada S.; Ramakrishnan, Ashok; Khullar, Sadhika; Mandal, Sanjay K.; Chakraborti, Asit K.; Bharatam, Prasad V.","Azine-Hydrazone Tautomerism of Guanylhydrazones: Evidence for the Preference Toward the Azine Tautomer.","The Journal of organic chemistry","2016","81","17","7574","7583","10.1021/acs.joc.6b01258","","","0.71073","MoKα","","0.0417","0.037","","","0.0981","0.1016","","","","","","1.041","","","","has coordinates","235560","2020-10-21","18:00:00",""
"4037014","6.0626","0.0011","8.9367","0.0017","18.296","0.003","92.163","0.006","94.933","0.006","94.674","0.006","983.3","0.3","296","","296","","","","","","","","","5","P -1","-P 1","2","","","","- C25 H18 Cl N O2 -","- C25 H18 Cl N O2 -","- C50 H36 Cl2 N2 O4 -","2","1","","Liu, Jiaming; Ye, Weijian; Qing, Xushun; Wang, Cunde","Solvent-Free DABCO-Mediated [3 + 2] Cycloadditions of Donor-Acceptor Cyclopropanes with Aldehydes: Strategy for Synthesis of Fully Substituted Furans.","The Journal of organic chemistry","2016","81","17","7970","7976","10.1021/acs.joc.6b01259","","","0.71073","MoKα","","0.1611","0.0636","","","0.1087","0.1337","","","","","","1.002","","","","has coordinates","235562","2020-10-21","18:00:00",""
"4037015","16.523","0.0008","5.8117","0.0003","21.7152","0.001","90","","103.099","0.002","90","","2030.98","0.17","296","","296","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C26 H21 N O -","- C26 H21 N O -","- C104 H84 N4 O4 -","4","1","","Liu, Jiaming; Ye, Weijian; Qing, Xushun; Wang, Cunde","Solvent-Free DABCO-Mediated [3 + 2] Cycloadditions of Donor-Acceptor Cyclopropanes with Aldehydes: Strategy for Synthesis of Fully Substituted Furans.","The Journal of organic chemistry","2016","81","17","7970","7976","10.1021/acs.joc.6b01259","","","0.71073","MoKα","","0.1182","0.0506","","","0.1212","0.1508","","","","","","1.019","","","","has coordinates","235563","2020-10-21","18:00:00",""
"4037016","6.0958","0.0013","8.9005","0.0018","18.462","0.004","91.851","0.006","94.524","0.007","94.956","0.007","994","0.4","296","","296","","","","","","","","","5","P -1","-P 1","2","","","","- C24 H15 Br2 N O2 -","- C24 H15 Br2 N O2 -","- C48 H30 Br4 N2 O4 -","2","1","","Liu, Jiaming; Ye, Weijian; Qing, Xushun; Wang, Cunde","Solvent-Free DABCO-Mediated [3 + 2] Cycloadditions of Donor-Acceptor Cyclopropanes with Aldehydes: Strategy for Synthesis of Fully Substituted Furans.","The Journal of organic chemistry","2016","81","17","7970","7976","10.1021/acs.joc.6b01259","","","0.71073","MoKα","","0.1815","0.0673","","","0.1134","0.1395","","","","","","1.006","","","","has coordinates","235564","2020-10-21","18:00:00",""
"4037017","30.463","0.006","6.3598","0.0012","26.835","0.006","90","","112.063","0.009","90","","4818.3","1.7","293","2","293","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C46 H63 Br O7 -","- C46 H63 Br O7 -","- C184 H252 Br4 O28 -","4","1","","Shen, Renzeng; Cao, Xin; Laval, Stephane; Sun, Jiansong; Yu, Biao","Synthesis of Ocotillol-Type Ginsenosides.","The Journal of organic chemistry","2016","81","21","10279","10294","10.1021/acs.joc.6b01265","","","0.71073","MoKα","","0.1023","0.0614","","","0.1532","0.1702","","","","","","0.928","","","","has coordinates","235566","2020-10-21","18:00:00",""
"4037018","7.686","0.0015","13.076","0.003","28.097","0.006","90","","90","","90","","2823.8","1","296","2","296","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C30 H52 O4 -","- C30 H52 O4 -","- C120 H208 O16 -","4","1","","Shen, Renzeng; Cao, Xin; Laval, Stephane; Sun, Jiansong; Yu, Biao","Synthesis of Ocotillol-Type Ginsenosides.","The Journal of organic chemistry","2016","81","21","10279","10294","10.1021/acs.joc.6b01265","","","1.54178","CuKα","","0.0439","0.0428","","","0.1173","0.1187","","","","","","1.047","","","","has coordinates","235568","2020-10-21","18:00:00",""
"4037019","12.9119","0.0015","13.725","0.0017","16.0531","0.0019","90","","90","","90","","2844.9","0.6","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C30 H52 O5 -","- C30 H52 O5 -","- C120 H208 O20 -","4","1","","Shen, Renzeng; Cao, Xin; Laval, Stephane; Sun, Jiansong; Yu, Biao","Synthesis of Ocotillol-Type Ginsenosides.","The Journal of organic chemistry","2016","81","21","10279","10294","10.1021/acs.joc.6b01265","","","0.71073","MoKα","","0.0632","0.0518","","","0.1267","0.1348","","","","","","1.033","","","","has coordinates","235569","2020-10-21","18:00:00",""
"4037020","19.0891","0.0019","10.1206","0.001","9.764","0.001","90","","95.083","0.005","90","","1878.9","0.3","190","2","190.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H31 Cl N2 O -","- C20 H31 Cl N2 O -","- C80 H124 Cl4 N8 O4 -","4","1","","Lansakara, Ashabha I.; Mariappan, S. V. Santhana; Pigge, F. Christopher","Alkylidene Dihydropyridines As Synthetic Intermediates: Model Studies toward the Synthesis of the Bis(piperidine) Alkaloid Xestoproxamine C.","The Journal of organic chemistry","2016","81","21","10266","10278","10.1021/acs.joc.6b01269","","","0.71073","MoKα","","0.0625","0.0541","","","0.1524","0.1602","","","","","","1.068","","","","has coordinates","235571","2020-10-21","18:00:00",""
"4037021","8.1814","0.0003","6.3315","0.0003","16.7915","0.0011","90","","92.691","0.004","90","","868.85","0.08","190","2","190","2","","","","","","","synthesis as described","4","P 1 21 1","P 2yb","4","","","","- C19 H20 N2 O8 -","- C19 H20 N2 O8 -","- C38 H40 N4 O16 -","2","1","","Shang, Zhuo; Salim, Angela A.; Khalil, Zeinab; Bernhardt, Paul V.; Capon, Robert J.","Fungal Biotransformation of Tetracycline Antibiotics.","The Journal of organic chemistry","2016","81","15","6186","6194","10.1021/acs.joc.6b01272","","x-ray","1.54184","CuKα","","0.0465","0.0412","","","0.102","0.1237","","","","","","1.149","","","","has coordinates","235573","2020-10-21","18:00:00",""
"4037022","9.24482","0.00004","13.77957","0.00005","18.20928","0.00009","90","","90","","90","","2319.67","0.017","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C23 H32 N4 O4 -","- C23 H32 N4 O4 -","- C92 H128 N16 O16 -","4","1","","Pancholi, Alpa K.; Geden, Joanna V.; Clarkson, Guy J.; Shipman, Michael","Asymmetric Synthesis of 2-Substituted Azetidin-3-ones via Metalated SAMP/RAMP Hydrazones.","The Journal of organic chemistry","2016","81","17","7984","7992","10.1021/acs.joc.6b01284","","x-ray","1.54184","CuKα","","0.0287","0.0283","","","0.0723","0.0727","","","","","","1.039","","","","has coordinates","235575","2020-10-21","18:00:00",""
"4037023","23.5029","0.0003","23.79","0.0003","24.7243","0.0003","90","","107.408","0.002","90","","13191","0.3","120","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C50.5 H72 Cl N21 O14.5 -","- C50.5005 H72.002 Cl N21 O14.5005 -","- C404.004 H576.016 Cl8 N168 O116.004 -","8","2","","Ustrnul, Lukas; Babiak, Michal; Kulhanek, Petr; Sindelar, Vladimir","A Cucurbituril Derivative That Exhibits Cation-Modulated Self-Assembly.","The Journal of organic chemistry","2016","81","14","6075","6080","10.1021/acs.joc.6b01288","","","0.71075","MolybdenumKα","","0.0687","0.0592","","","0.1736","0.1814","","","","","","0.981","","","","has coordinates,has disorder","235577","2020-10-21","18:00:00",""
"4037024","12.8019","0.0003","18.7511","0.0005","26.0731","0.0006","85.372","0.002","79.229","0.002","89.774","0.002","6128.1","0.3","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","","","- C42 H54 N20 O10 -","- C42 H54 N20 O10 -","- C168 H216 N80 O40 -","4","2","","Ustrnul, Lukas; Babiak, Michal; Kulhanek, Petr; Sindelar, Vladimir","A Cucurbituril Derivative That Exhibits Cation-Modulated Self-Assembly.","The Journal of organic chemistry","2016","81","14","6075","6080","10.1021/acs.joc.6b01288","","","0.71075","MolybdenumKα","","0.0913","0.066","","","0.1717","0.1843","","","","","","1.029","","","","has coordinates","235579","2020-10-21","18:00:00",""
"4037025","5.458","0.002","17.775","0.007","20.714","0.008","90","","94.07","0.007","90","","2004.5","1.3","173.15","","173.15","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C23 H21 N5 O2 -","- C23 H21 N5 O2 -","- C92 H84 N20 O8 -","4","1","","Yang, Wenjun; Yuan, Chunhao; Liu, Yang; Mao, Biming; Sun, Zhanhu; Guo, Hongchao","[4 + 3] Cycloaddition of Phthalazinium Dicyanomethanides with Azoalkenes Formed in Situ: Synthesis of Triazepine Derivatives.","The Journal of organic chemistry","2016","81","17","7597","7603","10.1021/acs.joc.6b01296","","","0.71073","MoKα","","0.1044","0.0837","","","0.1336","0.1445","","","","","","1.21","","","","has coordinates","235581","2020-10-21","18:00:00",""
"4037026","24.524","0.003","7.0624","0.0009","19.532","0.003","90","","112.705","0.002","90","","3120.7","0.7","130","","130","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H12 N4 O4 S -","- C16 H12 N4 O4 S -","- C128 H96 N32 O32 S8 -","8","2","","Feng, Yian; Zou, Minming; Song, Runjiang; Shao, Xusheng; Li, Zhong; Qian, Xuhong","Formation of 1,4,2-Dithiazolidines or 1,3-Thiazetidines from 1,1-Dichloro-2-nitroethene and Phenylthiourea Derivatives.","The Journal of organic chemistry","2016","81","21","10321","10327","10.1021/acs.joc.6b01307","","","0.71073","MoKα","","0.1344","0.0558","","","0.1104","0.1366","","","","","","1.033","","","","has coordinates","235582","2020-10-21","18:00:00",""
"4037027","7.489","0.003","9.986","0.004","21.492","0.009","90","","91.551","0.01","90","","1606.7","1.1","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C15 H9 Br2 N3 O2 S -","- C15 H9 Br2 N3 O2 S -","- C60 H36 Br8 N12 O8 S4 -","4","1","","Feng, Yian; Zou, Minming; Song, Runjiang; Shao, Xusheng; Li, Zhong; Qian, Xuhong","Formation of 1,4,2-Dithiazolidines or 1,3-Thiazetidines from 1,1-Dichloro-2-nitroethene and Phenylthiourea Derivatives.","The Journal of organic chemistry","2016","81","21","10321","10327","10.1021/acs.joc.6b01307","","","0.71073","MoKα","","0.0542","0.0354","","","0.0806","0.0878","","","","","","1.019","","","","has coordinates","235583","2020-10-21","18:00:00",""
"4037028","7.2909","0.0007","11.6393","0.0012","13.0096","0.0012","90","","103.522","0.002","90","","1073.4","0.18","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C9 H7 N3 O2 S2 -","- C9 H7 N3 O2 S2 -","- C36 H28 N12 O8 S8 -","4","1","","Feng, Yian; Zou, Minming; Song, Runjiang; Shao, Xusheng; Li, Zhong; Qian, Xuhong","Formation of 1,4,2-Dithiazolidines or 1,3-Thiazetidines from 1,1-Dichloro-2-nitroethene and Phenylthiourea Derivatives.","The Journal of organic chemistry","2016","81","21","10321","10327","10.1021/acs.joc.6b01307","","","0.71073","MoKα","","0.0698","0.0618","","","0.1656","0.1724","","","","","","1.098","","","","has coordinates","235584","2020-10-21","18:00:00",""
"4037029","5.641","0.002","8.206","0.003","10.243","0.004","90","","94.7605","0.001","90","","472.5","0.3","93","","93","","","","","","","","","5","P 1 n 1","P -2yac","7","","","","- C9 H11 N O2 S -","- C9 H11 N O2 S -","- C18 H22 N2 O4 S2 -","2","1","","Aitken, R. Alan; Harper, Andrew D.; Slawin, Alexandra M. Z.","Synthesis, Structure, and Unusual Reactivity of a Stable 3-(Oxazolidin-2-ylidene)thiophen-2-one.","The Journal of organic chemistry","2016","81","21","10527","10531","10.1021/acs.joc.6b01309","","","0.71075","MoKα","","0.0419","0.041","","","0.1034","0.1038","","","","","","0.997","","","","has coordinates","235585","2020-10-21","18:00:00",""
"4037030","10.368","0.003","5.8288","0.0013","15.852","0.004","90","","103.897","0.007","90","","929.9","0.4","125","","125","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C9 H11 N O2 S -","- C9 H11 N O2 S -","- C36 H44 N4 O8 S4 -","4","1","","Aitken, R. Alan; Harper, Andrew D.; Slawin, Alexandra M. Z.","Synthesis, Structure, and Unusual Reactivity of a Stable 3-(Oxazolidin-2-ylidene)thiophen-2-one.","The Journal of organic chemistry","2016","81","21","10527","10531","10.1021/acs.joc.6b01309","","","1.54187","CuKα","","0.0296","0.029","","","0.079","0.0795","","","","","","1.06","","","","has coordinates","235586","2020-10-21","18:00:00",""
"4037031","10.8788","0.0009","17.3089","0.0014","21.8706","0.001","90","","99.715","0.006","90","","4059.2","0.5","125","","125","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C36 H33 N9 O8 S2 -","- C36 H33 N9 O8 S2 -","- C144 H132 N36 O32 S8 -","4","1","","Aitken, R. Alan; Harper, Andrew D.; Slawin, Alexandra M. Z.","Synthesis, Structure, and Unusual Reactivity of a Stable 3-(Oxazolidin-2-ylidene)thiophen-2-one.","The Journal of organic chemistry","2016","81","21","10527","10531","10.1021/acs.joc.6b01309","","","1.54187","CuKα","","0.1693","0.1237","","","0.3559","0.3882","","","","","","1.303","","","","has coordinates","235587","2020-10-21","18:00:00",""
"4037032","12.395","0.004","6.2567","0.0017","19.489","0.006","90","","95.322","0.005","90","","1504.9","0.8","93","","93","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C13 H11 Cl4 N O2 S -","- C13 H11 Cl4 N O2 S -","- C52 H44 Cl16 N4 O8 S4 -","4","1","","Aitken, R. Alan; Harper, Andrew D.; Slawin, Alexandra M. Z.","Synthesis, Structure, and Unusual Reactivity of a Stable 3-(Oxazolidin-2-ylidene)thiophen-2-one.","The Journal of organic chemistry","2016","81","21","10527","10531","10.1021/acs.joc.6b01309","","","0.71075","MoKα","","0.061","0.0485","","","0.0981","0.1114","","","","","","0.932","","","","has coordinates","235588","2020-10-21","18:00:00",""
"4037033","10.5994","0.0011","11.0901","0.0013","18.718","0.002","81.304","0.009","87.027","0.009","73.828","0.01","2088.8","0.4","293.64","0.1","293.64","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C21 H17 Br N2 O3 S -","- C21 H17 Br N2 O3 S -","- C84 H68 Br4 N8 O12 S4 -","4","2","","Zhao, Yuan-Yuan; Zhao, Shuai; Xie, Ji-Kang; Hu, Xiu-Qin; Xu, Peng-Fei","Synthesis of Spirocyclic Oxindole Dihydrothiophenes by DBU-Catalyzed [3 + 2] Annulation of Morita-Baylis-Hillman Carbonates with Isothiocyanates.","The Journal of organic chemistry","2016","81","21","10532","10537","10.1021/acs.joc.6b01315","","x-ray","0.71073","MoKα","","0.2332","0.0675","","","0.0835","0.131","","","","","","0.947","","","","has coordinates","235589","2020-10-21","18:00:00",""
"4037034","10.6291","0.0003","11.8059","0.0005","13.0252","0.0005","69.939","0.004","76.544","0.003","69.975","0.003","1430.14","0.1","120.01","0.1","120.01","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C36 H37 B N4 -","- C36 H37 B N4 -","- C72 H74 B2 N8 -","2","1","","Schwamm, Ryan J.; Vianello, Robert; Maršavelski, Aleksandra; García, M Ángeles; Claramunt, Rosa M.; Alkorta, Ibon; Saame, Jaan; Leito, Ivo; Fitchett, Christopher M.; Edwards, Alison J.; Coles, Martyn P.","(15)N NMR Spectroscopy, X-ray and Neutron Diffraction, Quantum-Chemical Calculations, and UV/vis-Spectrophotometric Titrations as Complementary Techniques for the Analysis of Pyridine-Supported Bicyclic Guanidine Superbases.","The Journal of organic chemistry","2016","81","17","7612","7625","10.1021/acs.joc.6b01330","","x-ray","1.54184","CuKα","","0.0483","0.0439","","","0.1173","0.124","","","","","","1.027","","","","has coordinates","235591","2020-10-21","18:00:00",""
"4037035","8.96475","0.00011","11.16288","0.00014","15.6791","0.00016","90","","102.308","0.0011","90","","1532.98","0.03","220.01","0.1","220.01","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H17 F6 N4 P -","- C12 H17 F6 N4 P -","- C48 H68 F24 N16 P4 -","4","1","","Schwamm, Ryan J.; Vianello, Robert; Maršavelski, Aleksandra; García, M Ángeles; Claramunt, Rosa M.; Alkorta, Ibon; Saame, Jaan; Leito, Ivo; Fitchett, Christopher M.; Edwards, Alison J.; Coles, Martyn P.","(15)N NMR Spectroscopy, X-ray and Neutron Diffraction, Quantum-Chemical Calculations, and UV/vis-Spectrophotometric Titrations as Complementary Techniques for the Analysis of Pyridine-Supported Bicyclic Guanidine Superbases.","The Journal of organic chemistry","2016","81","17","7612","7625","10.1021/acs.joc.6b01330","","x-ray","1.54184","CuKα","","0.0541","0.0516","","","0.1428","0.1464","","","","","","1.056","","","","has coordinates,has disorder","235591","2020-10-21","18:00:00",""
"4037036","10.4939","0.0004","10.7181","0.0004","17.7859","0.0007","97.607","0.003","99.959","0.003","113.378","0.004","1763.31","0.14","120.01","0.1","120.01","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C43 H48 B N7 -","- C43 H48 B N7 -","- C86 H96 B2 N14 -","2","1","","Schwamm, Ryan J.; Vianello, Robert; Maršavelski, Aleksandra; García, M Ángeles; Claramunt, Rosa M.; Alkorta, Ibon; Saame, Jaan; Leito, Ivo; Fitchett, Christopher M.; Edwards, Alison J.; Coles, Martyn P.","(15)N NMR Spectroscopy, X-ray and Neutron Diffraction, Quantum-Chemical Calculations, and UV/vis-Spectrophotometric Titrations as Complementary Techniques for the Analysis of Pyridine-Supported Bicyclic Guanidine Superbases.","The Journal of organic chemistry","2016","81","17","7612","7625","10.1021/acs.joc.6b01330","","x-ray","1.54184","CuKα","","0.0423","0.0403","","","0.104","0.106","","","","","","1.037","","","","has coordinates","235591","2020-10-21","18:00:00",""
"4037037","14.8866","0.0004","21.6382","0.0005","26.3236","0.0007","82.288","0.002","74.892","0.002","88.82","0.002","8111.3","0.4","120.01","0.1","120.01","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C201 H207 B6 N21 -","- C201 H207 B6 N21 -","- C402 H414 B12 N42 -","2","1","","Schwamm, Ryan J.; Vianello, Robert; Maršavelski, Aleksandra; García, M Ángeles; Claramunt, Rosa M.; Alkorta, Ibon; Saame, Jaan; Leito, Ivo; Fitchett, Christopher M.; Edwards, Alison J.; Coles, Martyn P.","(15)N NMR Spectroscopy, X-ray and Neutron Diffraction, Quantum-Chemical Calculations, and UV/vis-Spectrophotometric Titrations as Complementary Techniques for the Analysis of Pyridine-Supported Bicyclic Guanidine Superbases.","The Journal of organic chemistry","2016","81","17","7612","7625","10.1021/acs.joc.6b01330","","x-ray","1.54184","CuKα","","0.0913","0.0646","","","0.1605","0.1837","","","","","","1.06","","","","has coordinates,has disorder","235591","2020-10-21","18:00:00",""
"4037038","10.6291","0.0003","11.8059","0.0005","13.0252","0.0005","69.939","0.004","76.544","0.003","69.975","0.003","1430.14","0.1","120","","120","","","","101","","","","","4","P -1","-P 1","2","","","","- C36 H37 B N4 -","- C36 H37 B N4 -","- C72 H74 B2 N8 -","2","1","","Schwamm, Ryan J.; Vianello, Robert; Maršavelski, Aleksandra; García, M Ángeles; Claramunt, Rosa M.; Alkorta, Ibon; Saame, Jaan; Leito, Ivo; Fitchett, Christopher M.; Edwards, Alison J.; Coles, Martyn P.","(15)N NMR Spectroscopy, X-ray and Neutron Diffraction, Quantum-Chemical Calculations, and UV/vis-Spectrophotometric Titrations as Complementary Techniques for the Analysis of Pyridine-Supported Bicyclic Guanidine Superbases.","The Journal of organic chemistry","2016","81","17","7612","7625","10.1021/acs.joc.6b01330","","neutron","0.85","neutron","","0.1114","0.0721","","0.0793","0.0531","0.0467","","","","","","1.0894","","","","has coordinates","235591","2020-10-21","18:00:00",""
"4037039","10.1677","0.0006","10.2037","0.0005","10.2235","0.0006","90","","111.168","0.002","90","","989.1","0.1","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C42 H66 N2 O6 -","- C42 H66 N2 O6 -","- C42 H66 N2 O6 -","1","0.5","","Buter, Jeffrey; Heijnen, Dorus; Wan, Ieng Chim; Bickelhaupt, F. Matthias; Young, David C.; Otten, Edwin; Moody, D. Branch; Minnaard, Adriaan J.","Stereoselective Synthesis of 1-Tuberculosinyl Adenosine; a Virulence Factor of Mycobacterium tuberculosis.","The Journal of organic chemistry","2016","81","15","6686","6696","10.1021/acs.joc.6b01332","","","0.71073","MoKα","","0.0463","0.0404","","","0.0963","0.1007","","","","","","1.051","","","","has coordinates","235593","2020-10-21","18:00:00",""
"4037040","4.25027","0.00012","29.614","0.0005","10.3858","0.0002","90","","100.939","0.003","90","","1283.48","0.05","123.01","0.1","123.01","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C14 H11 N O6 -","- C14 H11 N O6 -","- C56 H44 N4 O24 -","4","2","","Dobler, Daniel; Reiser, Oliver","Synthesis of 6-Substituted 2-Pyrones Starting from Renewable Resources: Total Synthesis of Sibirinone, (E)-6-(Pent-1-en-1-yl)-2H-pyran-2-one, and (E)-6-(Hept-1-en-1-yl)-2H-pyran-2-one.","The Journal of organic chemistry","2016","81","21","10357","10365","10.1021/acs.joc.6b01339","","x-ray","1.54184","CuKα","","0.0376","0.0361","","","0.0966","0.0983","","","","","","1.065","","","","has coordinates","235595","2020-10-21","18:00:00",""
"4037041","9.9767","0.0002","11.8794","0.0002","11.9166","0.0003","90","","110.522","0.003","90","","1322.69","0.05","123.01","0.1","123.01","0.1","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C17 H16 O3 -","- C17 H16 O3 -","- C68 H64 O12 -","4","1","","Dobler, Daniel; Reiser, Oliver","Synthesis of 6-Substituted 2-Pyrones Starting from Renewable Resources: Total Synthesis of Sibirinone, (E)-6-(Pent-1-en-1-yl)-2H-pyran-2-one, and (E)-6-(Hept-1-en-1-yl)-2H-pyran-2-one.","The Journal of organic chemistry","2016","81","21","10357","10365","10.1021/acs.joc.6b01339","","x-ray","1.54184","CuKα","","0.042","0.0357","","","0.091","0.0959","","","","","","1.066","","","","has coordinates","235596","2020-10-21","18:00:00",""
"4037042","11.2968","0.0004","10.0528","0.0003","11.7838","0.0004","90","","106.701","0.004","90","","1281.77","0.08","123","0.1","123","0.1","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C17 H16 O2 -","- C17 H16 O2 -","- C68 H64 O8 -","4","1","","Dobler, Daniel; Reiser, Oliver","Synthesis of 6-Substituted 2-Pyrones Starting from Renewable Resources: Total Synthesis of Sibirinone, (E)-6-(Pent-1-en-1-yl)-2H-pyran-2-one, and (E)-6-(Hept-1-en-1-yl)-2H-pyran-2-one.","The Journal of organic chemistry","2016","81","21","10357","10365","10.1021/acs.joc.6b01339","","x-ray","1.54184","CuKα","","0.0437","0.0358","","","0.0852","0.0909","","","","","","1.052","","","","has coordinates","235597","2020-10-21","18:00:00",""
"4037043","6.4205","0.0003","11.7811","0.0006","14.1339","0.0006","90","","90","","90","","1069.1","0.09","123","0.1","123","0.1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C13 H12 O4 -","- C13 H12 O4 -","- C52 H48 O16 -","4","1","","Dobler, Daniel; Reiser, Oliver","Synthesis of 6-Substituted 2-Pyrones Starting from Renewable Resources: Total Synthesis of Sibirinone, (E)-6-(Pent-1-en-1-yl)-2H-pyran-2-one, and (E)-6-(Hept-1-en-1-yl)-2H-pyran-2-one.","The Journal of organic chemistry","2016","81","21","10357","10365","10.1021/acs.joc.6b01339","","x-ray","1.54184","CuKα","","0.0335","0.0305","","","0.0767","0.0791","","","","","","1.054","","","","has coordinates","235598","2020-10-21","18:00:00",""
"4037044","7.7814","0.0004","9.8387","0.0004","12.3163","0.0006","90.726","0.003","99.896","0.002","108.482","0.002","878.7","0.07","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C21 H19 N O3 -","- C21 H19 N O3 -","- C42 H38 N2 O6 -","2","1","","Wang, Chao-Ming; Xiao, Jun-An; Wang, Jing; Wang, Sha-Sha; Deng, Zhao-Xu; Yang, Hua","Organocatalytic Enantioselective Conjugate Addition of Azlactones to Enolizable Linear and Cyclic Enones.","The Journal of organic chemistry","2016","81","17","8001","8008","10.1021/acs.joc.6b01356","","","0.71073","MoKα","","0.0536","0.0406","","","0.1096","0.1187","","","","","","1.031","","","","has coordinates","258458","2020-10-21","18:00:00",""
"4037045","6.2258","0.0003","12.6033","0.0005","15.3627","0.0006","106.18","0.001","93.364","0.001","98.321","0.001","1139.28","0.08","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C27 H30 O2 Si -","- C27 H30 O2 Si -","- C54 H60 O4 Si2 -","2","1","","Mukhopadhyay, Arindam; Maka, Vijay Kumar; Moorthy, Jarugu Narasimha","Fluoride-Triggered Ring-Opening of Photochromic Diarylpyrans into Merocyanine Dyes: Naked-Eye Sensing in Subppm Levels.","The Journal of organic chemistry","2016","81","17","7741","7750","10.1021/acs.joc.6b01361","","","0.71073","MoKα","","0.0552","0.0428","","","0.1027","0.11","","","","","","1.02","","","","has coordinates","235601","2020-10-21","18:00:00",""
"4037046","6.1609","0.0003","13.353","0.0006","18.5067","0.0008","90","","92.234","0.001","90","","1521.32","0.12","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C33 H44 O3 Si2 -","- C33 H44 O3 Si2 -","- C66 H88 O6 Si4 -","2","1","","Mukhopadhyay, Arindam; Maka, Vijay Kumar; Moorthy, Jarugu Narasimha","Fluoride-Triggered Ring-Opening of Photochromic Diarylpyrans into Merocyanine Dyes: Naked-Eye Sensing in Subppm Levels.","The Journal of organic chemistry","2016","81","17","7741","7750","10.1021/acs.joc.6b01361","","","0.71073","MoKα","","0.0955","0.0539","","","0.0931","0.1052","","","","","","1.015","","","","has coordinates","235601","2020-10-21","18:00:00",""
"4037047","7.605","0.002","10.832","0.003","31.237","0.009","99.565","0.005","94.919","0.005","91.051","0.005","2526.7","1.2","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C31 H30 O2 Si -","- C31 H30 O2 Si -","- C124 H120 O8 Si4 -","4","2","","Mukhopadhyay, Arindam; Maka, Vijay Kumar; Moorthy, Jarugu Narasimha","Fluoride-Triggered Ring-Opening of Photochromic Diarylpyrans into Merocyanine Dyes: Naked-Eye Sensing in Subppm Levels.","The Journal of organic chemistry","2016","81","17","7741","7750","10.1021/acs.joc.6b01361","","","0.71073","MoKα","","0.1904","0.1434","","","0.3606","0.4022","","","","","","1.03","","","","has coordinates,has disorder","235601","2020-10-21","18:00:00",""
"4037048","34.657","0.002","6.6454","0.0004","29.863","0.002","90","","94.62","0.002","90","","6855.4","0.7","100","2","100","2","","","","","","","","4","P 1 2/c 1","-P 2yc","13","","","","- C37 H46 O3 Si2 -","- C37 H46 O3 Si2 -","- C296 H368 O24 Si16 -","8","2","","Mukhopadhyay, Arindam; Maka, Vijay Kumar; Moorthy, Jarugu Narasimha","Fluoride-Triggered Ring-Opening of Photochromic Diarylpyrans into Merocyanine Dyes: Naked-Eye Sensing in Subppm Levels.","The Journal of organic chemistry","2016","81","17","7741","7750","10.1021/acs.joc.6b01361","","","0.71073","MoKα","","0.3461","0.1199","","","0.2142","0.2936","","","","","","1.011","","","","has coordinates","235601","2020-10-21","18:00:00",""
"4037049","8.7702","0.0005","11.1933","0.0007","18.6003","0.001","87.138","0.003","89.981","0.003","89.511","0.003","1823.6","0.18","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C17 H21 F N2 O4 S2 -","- C17 H21 F N2 O4 S2 -","- C68 H84 F4 N8 O16 S8 -","4","2","","Le Guen, Clothilde; Tran Do, Minh-Loan; Chardon, Aurélien; Lebargy, Cyril; Lohier, Jean-François; Pfund, Emmanuel; Lequeux, Thierry","Access to Fluoropyrrolidines by Intramolecular Aza-Michael Addition Reaction.","The Journal of organic chemistry","2016","81","15","6714","6720","10.1021/acs.joc.6b01363","","","0.71073","MoKα","","0.1028","0.0919","","","0.1976","0.2025","","","","","","1.178","","","","has coordinates,has disorder","235602","2020-10-21","18:00:00",""
"4037050","12.6636","0.0003","15.0363","0.0003","10.1827","0.0002","90","","106.353","0.001","90","","1860.49","0.07","291","2","291","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","2-[(Fluoro-2-benzothiazolylsulfonyl)-ethyl]-1-benzylpyrrolidine","","- C19 H19 F N2 O2 S2 -","- C19 H19 F N2 O2 S2 -","- C76 H76 F4 N8 O8 S8 -","4","1","","Le Guen, Clothilde; Tran Do, Minh-Loan; Chardon, Aurélien; Lebargy, Cyril; Lohier, Jean-François; Pfund, Emmanuel; Lequeux, Thierry","Access to Fluoropyrrolidines by Intramolecular Aza-Michael Addition Reaction.","The Journal of organic chemistry","2016","81","15","6714","6720","10.1021/acs.joc.6b01363","","","0.71073","MoKα","","0.0664","0.0456","","","0.1204","0.1376","","","","","","1.034","","","","has coordinates","235603","2020-10-21","18:00:00",""
"4037051","7.5585","0.0002","7.1426","0.0002","19.836","0.0005","90","","97.549","0.002","90","","1061.61","0.05","218","2","218","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C20 H29 N O7 -","- C20 H29 N O7 -","- C40 H58 N2 O14 -","2","1","","Runyon, Scott P.; Kormos, Chad M.; Gichinga, Moses G.; Mascarella, S. Wayne; Navarro, Hernán A; Deschamps, Jeffrey R.; Imler, Gregory H.; Carroll, F. Ivy","Design, Synthesis, and Biological Evaluation of Structurally Rigid Analogues of 4-(3-Hydroxyphenyl)piperidine Opioid Receptor Antagonists.","The Journal of organic chemistry","2016","81","21","10383","10391","10.1021/acs.joc.6b01366","","","0.71073","MoKα","","0.0681","0.0463","","","0.1086","0.128","","","","","","1.094","","","","has coordinates,has disorder","235604","2020-10-21","18:00:00",""
"4037052","7.9239","0.0003","16.055","0.0007","8.1077","0.0004","90","","100.693","0.002","90","","1013.54","0.08","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C12 H15 N O -","- C12 H15 N O -","- C48 H60 N4 O4 -","4","1","","Runyon, Scott P.; Kormos, Chad M.; Gichinga, Moses G.; Mascarella, S. Wayne; Navarro, Hernán A; Deschamps, Jeffrey R.; Imler, Gregory H.; Carroll, F. Ivy","Design, Synthesis, and Biological Evaluation of Structurally Rigid Analogues of 4-(3-Hydroxyphenyl)piperidine Opioid Receptor Antagonists.","The Journal of organic chemistry","2016","81","21","10383","10391","10.1021/acs.joc.6b01366","","","1.54178","CuKα","","0.1007","0.0778","","","0.2475","0.2697","","","","","","1.148","","","","has coordinates","235605","2020-10-21","18:00:00",""
"4037053","12.3522","0.0003","12.7928","0.0004","13.7288","0.0005","90","","90","","90","","2169.41","0.12","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","Psychrophilin E","N-(2,10,16-trioxo-1,9,15-triazapentacyclo[17.6.1.03,8.011,15.020,25]hexacosa-3,5,7,19(26),20,22,24-heptaen-17-yl)acetamide","","- C25 H24 N4 O4 -","- C25 H24 N4 O4 -","- C100 H96 N16 O16 -","4","1","","Ngen, Sarah T. Y.; Kaur, Harveen; Hume, Paul A.; Furkert, Daniel P.; Brimble, Margaret A.","Synthesis of Psychrophilin E.","The Journal of organic chemistry","2016","81","17","7635","7643","10.1021/acs.joc.6b01369","","","0.71073","MoKα","","0.0815","0.0501","","","0.0955","0.1084","","","","","","0.98","","","","has coordinates","235606","2020-10-21","18:00:00",""
"4037054","5.9316","0.0003","16.4646","0.001","29.5614","0.0018","90","","90","","90","","2887","0.3","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C32 H39 O3 P -","- C32 H39 O3 P -","- C128 H156 O12 P4 -","4","1","","Wang, Ji-Ping; Nie, Shao-Zhen; Zhou, Zhong-Yang; Ye, Jing-Jing; Wen, Jing-Hong; Zhao, Chang-Qiu","Preparation of Optically Pure Tertiary Phosphine Oxides via the Addition of P-Stereogenic Secondary Phosphine Oxide to Activated Alkenes.","The Journal of organic chemistry","2016","81","17","7644","7653","10.1021/acs.joc.6b01371","","","1.54184","CuKα","","0.1244","0.0628","","","0.1208","0.1419","","","","","","1.03","","","","has coordinates","235607","2020-10-21","18:00:00",""
"4037055","15.6549","0.0014","18.478","0.0018","21.6785","0.0019","90","","96.588","0.001","90","","6229.6","1","298","2","298","2","","","","","","","","8","C 1 2 1","C 2y","5","","","","- C60.5 H57 Br Cl7 N6 Ni O4 P -","- C60.5 H57 Br Cl7 N6 Ni O4 P -","- C242 H228 Br4 Cl28 N24 Ni4 O16 P4 -","4","1","","Zhang, Haowei; Yang, Bing; Yang, Zhen; Lu, Hongjian; Li, Guigen","Asymmetric Synthesis of Chiral α-Methyl-α,β-diamino Acid Derivatives via Group-Assisted Purification Chemistry Using N-Phosphonyl Imines and a Ni(II)-Complexed Alanine Schiff Base.","The Journal of organic chemistry","2016","81","17","7654","7661","10.1021/acs.joc.6b01385","","","0.71073","MoKα","","0.1712","0.0807","","","0.1826","0.2071","","","","","","1.073","","","","has coordinates,has disorder","235608","2020-10-21","18:00:00",""
"4037056","8.2512","0.001","8.4759","0.001","10.485","0.012","94.945","0.014","98.272","0.017","96.801","0.012","716.6","0.8","173","","173","","","","","","","","","4","P -1","-P 1","2","","","","- C19 H16 N2 O -","- C19 H16 N2 O -","- C38 H32 N4 O2 -","2","1","","Yamamoto, Chiaki; Takamatsu, Kazutaka; Hirano, Koji; Miura, Masahiro","Copper-Catalyzed Intramolecular Benzylic C-H Amination for the Synthesis of Isoindolinones.","The Journal of organic chemistry","2016","81","17","7675","7684","10.1021/acs.joc.6b01393","","","0.71075","MoKα","","","0.0665","","","","0.1786","","","","","","1.039","","","","has coordinates","235609","2020-10-21","18:00:00",""
"4037057","11.2737","0.0004","14.8446","0.0004","16.967","0.0005","90","","93.758","0.003","90","","2833.38","0.15","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C40 H29 N -","- C40 H29 N -","- C160 H116 N4 -","4","1","","Upadhyay, Gourav M.; Talele, Harish R.; Bedekar, Ashutosh V.","Synthesis and Photophysical Properties of Aza[n]helicenes.","The Journal of organic chemistry","2016","81","17","7751","7759","10.1021/acs.joc.6b01395","","","1.54184","CuKα","","0.0968","0.0755","","","0.2144","0.2372","","","","","","1.03","","","","has coordinates","235611","2020-10-21","18:00:00",""
"4037058","18.8646","0.0009","16.0066","0.0006","9.2096","0.0004","90","","100.717","0.004","90","","2732.4","0.2","566","2","566","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C40 H29 N -","- C40 H29 N -","- C160 H116 N4 -","4","1","","Upadhyay, Gourav M.; Talele, Harish R.; Bedekar, Ashutosh V.","Synthesis and Photophysical Properties of Aza[n]helicenes.","The Journal of organic chemistry","2016","81","17","7751","7759","10.1021/acs.joc.6b01395","","","1.54184","CuKα","","0.1007","0.0773","","","0.236","0.2625","","","","","","1.11","","","","has coordinates","235613","2020-10-21","18:00:00",""
"4037059","13.33994","0.00019","22.145","0.0003","8.96791","0.00014","90","","92.0494","0.0013","90","","2647.54","0.07","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C40 H27 N -","- C40 H27 N -","- C160 H108 N4 -","4","1","","Upadhyay, Gourav M.; Talele, Harish R.; Bedekar, Ashutosh V.","Synthesis and Photophysical Properties of Aza[n]helicenes.","The Journal of organic chemistry","2016","81","17","7751","7759","10.1021/acs.joc.6b01395","","","1.54184","","","0.0589","0.0484","","","","0.1459","","","","","","1.0332","","","","has coordinates","235614","2020-10-21","18:00:00",""
"4037060","31.2176","0.0006","7.90971","0.00014","22.4566","0.0004","90","","101.112","0.0017","90","","5441.08","0.17","150","0.1","150","0.1","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C40 H29 N -","- C40 H29 N -","- C320 H232 N8 -","8","2","","Upadhyay, Gourav M.; Talele, Harish R.; Bedekar, Ashutosh V.","Synthesis and Photophysical Properties of Aza[n]helicenes.","The Journal of organic chemistry","2016","81","17","7751","7759","10.1021/acs.joc.6b01395","","","1.5418","CuKα","","0.0882","0.0803","","","0.2116","0.2224","","","","","","1.043","","","","has coordinates","235615","2020-10-21","18:00:00",""
"4037061","8.1824","0.0004","10.4332","0.0005","9.2974","0.0004","90","","99.884","0.005","90","","781.93","0.06","298","","298","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C9 H8 O3 -","- C9 H8 O3 -","- C36 H32 O12 -","4","1","","Mahendar, Lodi; Satyanarayana, Gedu","Domino [Pd]-Catalysis: One-Pot Synthesis of Isobenzofuran-1(3H)-ones.","The Journal of organic chemistry","2016","81","17","7685","7691","10.1021/acs.joc.6b01396","","x-ray","1.54184","CuKα","","0.0778","0.0587","","","0.1566","0.185","","","","","","1.105","","","","has coordinates","235617","2020-10-21","18:00:00",""
"4037062","7.1301","0.0009","12.3459","0.0009","9.2749","0.0009","90","","112.434","0.013","90","","754.66","0.15","298","","298","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C9 H6 O4 -","- C9 H6 O4 -","- C36 H24 O16 -","4","1","","Mahendar, Lodi; Satyanarayana, Gedu","Domino [Pd]-Catalysis: One-Pot Synthesis of Isobenzofuran-1(3H)-ones.","The Journal of organic chemistry","2016","81","17","7685","7691","10.1021/acs.joc.6b01396","","","1.54184","CuKα","","0.0799","0.0557","","","0.1391","0.162","","","","","","1.1182","","","","has coordinates","235618","2020-10-21","18:00:00",""
"4037063","23.742","0.0005","7.5924","0.0001","7.887","0.0002","90","","90","","90","","1421.7","0.05","200","","200","","","","","","","","local","4","P c a 21","P 2c -2ac","29","","","","- C17 H22 N2 O -","- C17 H22 N2 O -","- C68 H88 N8 O4 -","4","1","","Tan, Shen H.; Banwell, Martin G.; Willis, Anthony C.","A Formal Total Synthesis of (±)-Kopsihainanine A Using a Raney-Cobalt Mediated Reductive Cyclization Route to Polyhydroquinolines.","The Journal of organic chemistry","2016","81","17","8022","8028","10.1021/acs.joc.6b01400","","","0.71073","MoKα","","0.0351","0.0298","","0.0739","0.0715","0.0739","","","","","","0.9888","","","","has coordinates","235621","2020-10-21","18:00:00",""
"4037064","11.2237","0.0003","10.5952","0.0003","11.5492","0.0002","90","","90.1718","0.0015","90","","1373.39","0.06","200","","200","","","","","","","","local","3","P 1 21/c 1","-P 2ybc","14","","","","- C17 H20 N2 -","- C17 H20 N2 -","- C68 H80 N8 -","4","1","","Tan, Shen H.; Banwell, Martin G.; Willis, Anthony C.","A Formal Total Synthesis of (±)-Kopsihainanine A Using a Raney-Cobalt Mediated Reductive Cyclization Route to Polyhydroquinolines.","The Journal of organic chemistry","2016","81","17","8022","8028","10.1021/acs.joc.6b01400","","","0.71073","MoKα","","0.0571","0.0436","","0.1122","0.1045","0.1122","","","","","","0.9746","","","","has coordinates","235622","2020-10-21","18:00:00",""
"4037065","8.3982","0.0001","10.5143","0.0002","20.8016","0.0004","90","","94.8955","0.001","90","","1830.11","0.05","200","","200","","","","","","","","local","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H27 N3 O2 -","- C20 H27 N3 O2 -","- C80 H108 N12 O8 -","4","1","","Tan, Shen H.; Banwell, Martin G.; Willis, Anthony C.","A Formal Total Synthesis of (±)-Kopsihainanine A Using a Raney-Cobalt Mediated Reductive Cyclization Route to Polyhydroquinolines.","The Journal of organic chemistry","2016","81","17","8022","8028","10.1021/acs.joc.6b01400","","","0.71073","MoKα","","0.0554","0.0397","","0.1028","0.0955","0.1028","","","","","","0.9581","","","","has coordinates","235623","2020-10-21","18:00:00",""
"4037066","6.1702","0.0004","15.1497","0.001","17.1805","0.0012","90","","91.704","0.003","90","","1605.27","0.19","150","2","150","2","","","","","","","synthesized by the authors","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H17 N O -","- C22 H17 N O -","- C88 H68 N4 O4 -","4","1","","Humpl, Marek; Tauchman, Jiří; Topolovčan, Nikola; Kretschmer, Jan; Hessler, Filip; Císařová, Ivana; Kotora, Martin; Veselý, Jan","Stereoselective Synthesis of Ezetimibe via Cross-Metathesis of Homoallylalcohols and α-Methylidene-β-Lactams.","The Journal of organic chemistry","2016","81","17","7692","7699","10.1021/acs.joc.6b01406","","","0.71073","MoKα","","0.0665","0.0397","","","0.0861","0.0971","","","","","","1.024","","","","has coordinates","235624","2020-10-21","18:00:00",""
"4037067","5.8199","0.0004","8.0405","0.0005","18.4354","0.0011","87.091","0.002","88.121","0.002","89.793","0.002","861.11","0.09","150","2","150","2","","","","","","","synthesized by the authors","4","P 1","P 1","1","","","","- C23 H19 N O -","- C23 H19 N O -","- C46 H38 N2 O2 -","2","2","","Humpl, Marek; Tauchman, Jiří; Topolovčan, Nikola; Kretschmer, Jan; Hessler, Filip; Císařová, Ivana; Kotora, Martin; Veselý, Jan","Stereoselective Synthesis of Ezetimibe via Cross-Metathesis of Homoallylalcohols and α-Methylidene-β-Lactams.","The Journal of organic chemistry","2016","81","17","7692","7699","10.1021/acs.joc.6b01406","","","0.71073","MoKα","","0.0476","0.0431","","","0.1009","0.1036","","","","","","1.031","","","","has coordinates,has disorder","235625","2020-10-21","18:00:00",""
"4037068","16.676","0.002","16.766","0.002","18.31","0.002","86.666","0.011","72.882","0.007","82.504","0.01","4849.6","1","123","2","123","2","","","","","","","","3","P -1","-P 1","2","","","","- C60.5 H59 Cl -","- C60.5 H59 Cl -","- C242 H236 Cl4 -","4","2","","Kato, Shin-Ichiro; Kuwako, Satoshi; Takahashi, Nobutaka; Kijima, Tomokazu; Nakamura, Yosuke","Benzo- and Naphthopentalenes: Syntheses, Structures, and Properties.","The Journal of organic chemistry","2016","81","17","7700","7710","10.1021/acs.joc.6b01409","","","0.71075","MoKα","","0.1105","0.0956","","","0.1957","0.2045","","","","","","1.221","","","","has coordinates,has disorder","235626","2020-10-21","18:00:00",""
"4037069","9.4783","0.0009","27.727","0.002","35.544","0.003","90","","90","","90","","9341.1","1.4","113","2","113","2","","","","","","","","2","P b c a","-P 2ac 2ab","61","","","","- C60 H58 -","- C60 H58 -","- C480 H464 -","8","1","","Kato, Shin-Ichiro; Kuwako, Satoshi; Takahashi, Nobutaka; Kijima, Tomokazu; Nakamura, Yosuke","Benzo- and Naphthopentalenes: Syntheses, Structures, and Properties.","The Journal of organic chemistry","2016","81","17","7700","7710","10.1021/acs.joc.6b01409","","","1.54187","CuKα","","0.0514","0.0443","","","0.1176","0.1222","","","","","","1.028","","","","has coordinates,has disorder","235627","2020-10-21","18:00:00",""
"4037070","47.18","0.03","9.144","0.005","21.056","0.011","90","","96.297","0.013","90","","9029","9","113","","113","","","","","","","","","2","C 1 2/c 1","-C 2yc","15","","","","- C60 H58 -","- C60 H58 -","- C480 H464 -","8","1","","Kato, Shin-Ichiro; Kuwako, Satoshi; Takahashi, Nobutaka; Kijima, Tomokazu; Nakamura, Yosuke","Benzo- and Naphthopentalenes: Syntheses, Structures, and Properties.","The Journal of organic chemistry","2016","81","17","7700","7710","10.1021/acs.joc.6b01409","","","1.54187","CuKα","","0.1655","0.0747","","","0.1791","0.2268","","","","","","1.01","","","","has coordinates","235628","2020-10-21","18:00:00",""
"4037071","10.588","0.002","13.867","0.002","16.98","0.003","78.787","0.011","88.157","0.013","82.737","0.013","2425.8","0.7","123","","123","","","","","","","","","2","P -1","-P 1","2","","","","- C56 H56 -","- C56 H56 -","- C112 H112 -","2","1","","Kato, Shin-Ichiro; Kuwako, Satoshi; Takahashi, Nobutaka; Kijima, Tomokazu; Nakamura, Yosuke","Benzo- and Naphthopentalenes: Syntheses, Structures, and Properties.","The Journal of organic chemistry","2016","81","17","7700","7710","10.1021/acs.joc.6b01409","","","0.71075","MoKα","","0.1056","0.0928","","","0.237","0.246","","","","","","1.205","","","","has coordinates","235630","2020-10-21","18:00:00",""
"4037072","7.4284","0.0002","9.2229","0.0002","22.4749","0.0007","90","","90","","90","","1539.79","0.07","100","2","100","2","","","","","","","synthesis as described","4","P 21 21 21","P 2ac 2ab","19","","","","- C19 H21 N O2 -","- C19 H21 N O2 -","- C76 H84 N4 O8 -","4","1","","Benmekhbi, Lotfi; Louafi, Fadila; Roisnel, Thierry; Hurvois, Jean-Pierre","Synthesis of Tetrahydroisoquinoline Alkaloids and Related Compounds through the Alkylation of Anodically Prepared α-Amino Nitriles.","The Journal of organic chemistry","2016","81","15","6721","6739","10.1021/acs.joc.6b01419","","x-ray","0.71073","MoKα","","0.0379","0.0342","","","0.0812","0.0838","","","","","","1.083","","","","has coordinates","235631","2020-10-21","18:00:00",""
"4037073","7.9409","0.0006","9.0559","0.0005","25.8657","0.0016","90","","90","","90","","1860.1","0.2","100","2","100","2","","","","","","","synthesis as described","4","P 21 21 21","P 2ac 2ab","19","","","","- C21 H25 N O4 -","- C21 H25 N O4 -","- C84 H100 N4 O16 -","4","1","","Benmekhbi, Lotfi; Louafi, Fadila; Roisnel, Thierry; Hurvois, Jean-Pierre","Synthesis of Tetrahydroisoquinoline Alkaloids and Related Compounds through the Alkylation of Anodically Prepared α-Amino Nitriles.","The Journal of organic chemistry","2016","81","15","6721","6739","10.1021/acs.joc.6b01419","","x-ray","0.71073","MoKα","","0.0439","0.0378","","","0.0858","0.0895","","","","","","1.046","","","","has coordinates","235632","2020-10-21","18:00:00",""
"4037074","7.0231","0.0004","7.1476","0.0003","29.3182","0.0016","90","","90","","90","","1471.72","0.13","100","2","100","2","","","","","","","synthesis as described","3","P 21 21 21","P 2ac 2ab","19","","","","- C18 H18 N2 -","- C18 H18 N2 -","- C72 H72 N8 -","4","1","","Benmekhbi, Lotfi; Louafi, Fadila; Roisnel, Thierry; Hurvois, Jean-Pierre","Synthesis of Tetrahydroisoquinoline Alkaloids and Related Compounds through the Alkylation of Anodically Prepared α-Amino Nitriles.","The Journal of organic chemistry","2016","81","15","6721","6739","10.1021/acs.joc.6b01419","","x-ray","0.71073","MoKα","","0.0397","0.0364","","","0.0853","0.0874","","","","","","1.035","","","","has coordinates","235634","2020-10-21","18:00:00",""
"4037075","6.281","0.0002","19.8359","0.0007","7.8253","0.0003","90","","91.333","0.002","90","","974.68","0.06","120","2","120","2","","","","","","","synthesis as described","4","P 1 21 1","P 2yb","4","","","","- C25 H27 N O -","- C25 H27 N O -","- C50 H54 N2 O2 -","2","1","","Benmekhbi, Lotfi; Louafi, Fadila; Roisnel, Thierry; Hurvois, Jean-Pierre","Synthesis of Tetrahydroisoquinoline Alkaloids and Related Compounds through the Alkylation of Anodically Prepared α-Amino Nitriles.","The Journal of organic chemistry","2016","81","15","6721","6739","10.1021/acs.joc.6b01419","","x-ray","0.71073","MoKα","","0.0354","0.0313","","","0.0765","0.0779","","","","","","1.145","","","","has coordinates","235635","2020-10-21","18:00:00",""
"4037076","6.262","0.0005","8.1188","0.0006","20.3785","0.0016","90","","92.859","0.002","90","","1034.75","0.14","100","2","100","2","","","","","","","synthesis as described","4","P 1 21 1","P 2yb","4","","","","- C26 H29 N O2 -","- C26 H29 N O2 -","- C52 H58 N2 O4 -","2","1","","Benmekhbi, Lotfi; Louafi, Fadila; Roisnel, Thierry; Hurvois, Jean-Pierre","Synthesis of Tetrahydroisoquinoline Alkaloids and Related Compounds through the Alkylation of Anodically Prepared α-Amino Nitriles.","The Journal of organic chemistry","2016","81","15","6721","6739","10.1021/acs.joc.6b01419","","x-ray","0.71073","MoKα","","0.0457","0.0438","","","0.1149","0.1162","","","","","","1.06","","","","has coordinates","235637","2020-10-21","18:00:00",""
"4037077","7.0779","0.0002","9.264","0.0003","26.1004","0.0007","90","","90","","90","","1711.39","0.09","150","","150","","","","","","","","synthesis as described","4","P 21 21 21","P 2ac 2ab","19","","","","- C20 H22 N2 O2 -","- C20 H22 N2 O2 -","- C80 H88 N8 O8 -","4","1","","Benmekhbi, Lotfi; Louafi, Fadila; Roisnel, Thierry; Hurvois, Jean-Pierre","Synthesis of Tetrahydroisoquinoline Alkaloids and Related Compounds through the Alkylation of Anodically Prepared α-Amino Nitriles.","The Journal of organic chemistry","2016","81","15","6721","6739","10.1021/acs.joc.6b01419","","x-ray","1.54184","CuKα","","0.0268","0.0262","","","0.0672","0.0675","","","","","","1.038","","","","has coordinates,has disorder","235638","2020-10-21","18:00:00",""
"4037078","8.237","0.0002","21.2108","0.0004","8.4707","0.0002","90","","98.7489","0.0019","90","","1462.72","0.06","150","","150","","","","","","","","local","4","P 1 21 1","P 2yb","4","","","","- C18 H22 N2 O -","- C18 H22 N2 O -","- C72 H88 N8 O4 -","4","2","","Tang, Fei; Banwell, Martin G.; Willis, Anthony C.","A Raney Cobalt Mediated Reductive Cyclization Route to the Uleine Alkaloid Gilbertine.","The Journal of organic chemistry","2016","81","21","10551","10557","10.1021/acs.joc.6b01424","","","1.54184","CuKα","","0.054","0.0524","","0.1374","0.1353","0.1374","","","","","","1.0038","","","","has coordinates","235639","2020-10-21","18:00:00",""
"4037079","5.856","0.0002","11.9176","0.0004","15.3239","0.0007","109.83","0.004","97.254","0.003","99.9","0.003","971.19","0.07","150","","150","","","","","","","","local","4","P -1","-P 1","2","","","","- C23 H22 N2 O4 -","- C23 H22 N2 O4 -","- C46 H44 N4 O8 -","2","1","","Tang, Fei; Banwell, Martin G.; Willis, Anthony C.","A Raney Cobalt Mediated Reductive Cyclization Route to the Uleine Alkaloid Gilbertine.","The Journal of organic chemistry","2016","81","21","10551","10557","10.1021/acs.joc.6b01424","","","1.54184","CuKα","","0.0466","0.0413","","0.1048","0.1007","0.1048","","","","","","0.9915","","","","has coordinates","235640","2020-10-21","18:00:00",""
"4037080","10.2934","0.0002","10.7138","0.0002","22.2707","0.0003","90","","90.0949","0.0014","90","","2456.04","0.07","150","","150","","","","","","","","local","4","P 1 21/n 1","-P 2yn","14","","","","- C28 H34 N2 O3 -","- C28 H34 N2 O3 -","- C112 H136 N8 O12 -","4","1","","Tang, Fei; Banwell, Martin G.; Willis, Anthony C.","A Raney Cobalt Mediated Reductive Cyclization Route to the Uleine Alkaloid Gilbertine.","The Journal of organic chemistry","2016","81","21","10551","10557","10.1021/acs.joc.6b01424","","","1.54184","CuKα","","0.0403","0.0381","","0.0974","0.0952","0.0974","","","","","","0.9978","","","","has coordinates","235641","2020-10-21","18:00:00",""
"4037081","12.4458","0.0002","10.5223","0.0002","21.942","0.0004","90","","99.439","0.002","90","","2834.59","0.09","130","2","130","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C34 H35 N5 O2 -","- C34 H35 N5 O2 -","- C136 H140 N20 O8 -","4","1","","Abdelraheem, Eman M. M.; Kurpiewska, Katarzyna; Kalinowska-Tłuścik, Justyna; Dömling, Alexander","Artificial Macrocycles by Ugi Reaction and Passerini Ring Closure.","The Journal of organic chemistry","2016","81","19","8789","8795","10.1021/acs.joc.6b01430","","","1.54184","CuKα","","0.0555","0.044","","","0.1124","0.1234","","","","","","1.027","","","","has coordinates","235643","2020-10-21","18:00:00",""
"4037082","12.6015","0.0002","9.4461","0.0002","37.952","0.0009","90","","90","","90","","4517.62","0.16","120","2","120","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C22 H30 N6 O4 -","- C22 H30 N6 O4 -","- C176 H240 N48 O32 -","8","1","","Abdelraheem, Eman M. M.; Kurpiewska, Katarzyna; Kalinowska-Tłuścik, Justyna; Dömling, Alexander","Artificial Macrocycles by Ugi Reaction and Passerini Ring Closure.","The Journal of organic chemistry","2016","81","19","8789","8795","10.1021/acs.joc.6b01430","","","1.54184","CuKα","","0.0433","0.036","","","0.0849","0.0907","","","","","","1.054","","","","has coordinates","235645","2020-10-21","18:00:00",""
"4037083","13.0983","0.0005","13.093","0.0005","15.9951","0.0005","90","","97.187","0.003","90","","2721.54","0.17","129","1","129","1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C31 H29 N5 O2 -","- C31 H29 N5 O2 -","- C124 H116 N20 O8 -","4","1","","Abdelraheem, Eman M. M.; Kurpiewska, Katarzyna; Kalinowska-Tłuścik, Justyna; Dömling, Alexander","Artificial Macrocycles by Ugi Reaction and Passerini Ring Closure.","The Journal of organic chemistry","2016","81","19","8789","8795","10.1021/acs.joc.6b01430","","","1.5418","CuKα","","0.0536","0.0431","","","0.1089","0.1171","","","","","","1.023","","","","has coordinates","288248","2023-12-12","12:55:27",""
"4037084","10.137","0.002","10.176","0.002","40.85","0.008","90","","90","","90","","4213.8","1.4","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C19 H31 N O3 Si -","- C19 H31 N O3 Si -","- C152 H248 N8 O24 Si8 -","8","2","","Meng, Lingxing","Total Synthesis of (-)-Carinatine A and (+)-Lycopladine A.","The Journal of organic chemistry","2016","81","17","7784","7789","10.1021/acs.joc.6b01435","","","1.54178","CuKα","","0.0388","0.0368","","","0.1012","0.1032","","","","","","1.041","","","","has coordinates","235648","2020-10-21","18:00:00",""
"4037085","7.946","0.002","11.256","0.003","8.207","0.002","90","","101.141","0.004","90","","720.2","0.3","130","","130","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C16 H22 O3 -","- C16 H22 O3 -","- C32 H44 O6 -","2","1","","Meng, Lingxing","Total Synthesis of (-)-Carinatine A and (+)-Lycopladine A.","The Journal of organic chemistry","2016","81","17","7784","7789","10.1021/acs.joc.6b01435","","","0.71073","MoKα","","0.0584","0.0475","","","0.1148","0.1224","","","","","","1.029","","","","has coordinates","235649","2020-10-21","18:00:00",""
"4037086","9.1684","0.0013","7.1253","0.0011","22.658","0.004","90","","92.64","0.003","90","","1478.6","0.4","100","2","100","2","","","","","","","","4","I 1 2/m 1","-I 2y","12","","","","- C16 H17 Br O4 -","- C16 H17 Br O4 -","- C64 H68 Br4 O16 -","4","0.5","","Geibel, Irina; Dierks, Anna; Schmidtmann, Marc; Christoffers, Jens","Formation of δ-Lactones by Cerium-Catalyzed, Baeyer-Villiger-Type Coupling of β-Oxoesters, Enol Acetates, and Dioxygen.","The Journal of organic chemistry","2016","81","17","7790","7798","10.1021/acs.joc.6b01441","","","0.71073","MoKα","","0.0608","0.0469","","","0.1029","0.1083","","","","","","1.118","","","","has coordinates,has disorder","235650","2020-10-21","18:00:00",""
"4037087","13.208","0.0007","7.0604","0.0004","16.8743","0.001","90","","103.925","0.0017","90","","1527.35","0.15","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C16 H17 Br O5 -","- C16 H17 Br O5 -","- C64 H68 Br4 O20 -","4","1","","Geibel, Irina; Dierks, Anna; Schmidtmann, Marc; Christoffers, Jens","Formation of δ-Lactones by Cerium-Catalyzed, Baeyer-Villiger-Type Coupling of β-Oxoesters, Enol Acetates, and Dioxygen.","The Journal of organic chemistry","2016","81","17","7790","7798","10.1021/acs.joc.6b01441","","","0.71073","MoKα","","0.0382","0.0315","","","0.0785","0.0815","","","","","","1.071","","","","has coordinates","235652","2020-10-21","18:00:00",""
"4037088","9.765","0.002","11.411","0.003","13.153","0.004","86.795","0.007","79.982","0.007","81.078","0.008","1425.2","0.6","173.15","","173.15","","","","","","","","","5","P -1","-P 1","2","","","","- C30 H28 Cl2 N8 O2 -","- C30 H28 Cl2 N8 O2 -","- C60 H56 Cl4 N16 O4 -","2","1","","Liu, Yang; Zhang, Qian; Guo, Qing-Hui; Wang, Mei-Xiang","Synthesis of Functionalized Azacalix[1]arene[3]pyridine Macrocycles from Cu(II)-Mediated Direct Amination Reactions of Arene through High Valent Arylcopper(III) Intermediates.","The Journal of organic chemistry","2016","81","21","10404","10410","10.1021/acs.joc.6b01448","","","0.71073","MoKα","","0.0462","0.0431","","","0.1034","0.1059","","","","","","1.107","","","","has coordinates","235653","2020-10-21","18:00:00",""
"4037089","12.91","0.003","10.52","0.002","20.591","0.005","90","","91.871","0.003","90","","2795","1.1","173.15","","173.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C32 H28 N8 O3 S -","- C32 H28 N8 O3 S -","- C128 H112 N32 O12 S4 -","4","1","","Liu, Yang; Zhang, Qian; Guo, Qing-Hui; Wang, Mei-Xiang","Synthesis of Functionalized Azacalix[1]arene[3]pyridine Macrocycles from Cu(II)-Mediated Direct Amination Reactions of Arene through High Valent Arylcopper(III) Intermediates.","The Journal of organic chemistry","2016","81","21","10404","10410","10.1021/acs.joc.6b01448","","","0.71073","MoKα","","0.0545","0.0489","","","0.1103","0.1134","","","","","","1.126","","","","has coordinates","235654","2020-10-21","18:00:00",""
"4037090","8.485","0.002","17.555","0.005","18.846","0.005","90","","91.734","0.004","90","","2805.9","1.3","173.15","","173.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C32 H28 N8 O3 S -","- C32 H28 N8 O3 S -","- C128 H112 N32 O12 S4 -","4","1","","Liu, Yang; Zhang, Qian; Guo, Qing-Hui; Wang, Mei-Xiang","Synthesis of Functionalized Azacalix[1]arene[3]pyridine Macrocycles from Cu(II)-Mediated Direct Amination Reactions of Arene through High Valent Arylcopper(III) Intermediates.","The Journal of organic chemistry","2016","81","21","10404","10410","10.1021/acs.joc.6b01448","","","0.71073","MoKα","","0.0551","0.0526","","","0.1114","0.1125","","","","","","1.247","","","","has coordinates","235655","2020-10-21","18:00:00",""
"4037091","10.074","0.003","11.434","0.003","12.631","0.004","91.555","0.002","105.46","0.004","108.834","0.003","1316.9","0.7","173.15","","173.15","","","","","","","","","6","P -1","-P 1","2","","","","- C26 H27 F3 N8 O3 S -","- C26 H27 F3 N8 O3 S -","- C52 H54 F6 N16 O6 S2 -","2","1","","Liu, Yang; Zhang, Qian; Guo, Qing-Hui; Wang, Mei-Xiang","Synthesis of Functionalized Azacalix[1]arene[3]pyridine Macrocycles from Cu(II)-Mediated Direct Amination Reactions of Arene through High Valent Arylcopper(III) Intermediates.","The Journal of organic chemistry","2016","81","21","10404","10410","10.1021/acs.joc.6b01448","","","0.71073","MoKα","","0.0636","0.0608","","","0.1683","0.1708","","","","","","1.111","","","","has coordinates","235656","2020-10-21","18:00:00",""
"4037092","9.7124","0.0013","9.7781","0.0013","17.437","0.003","80.127","0.009","78.698","0.008","63.431","0.006","1445.7","0.4","173.15","","173.15","","","","","","","","","4","P -1","-P 1","2","","","","- C33 H30 N8 O3 -","- C33 H30 N8 O3 -","- C66 H60 N16 O6 -","2","1","","Liu, Yang; Zhang, Qian; Guo, Qing-Hui; Wang, Mei-Xiang","Synthesis of Functionalized Azacalix[1]arene[3]pyridine Macrocycles from Cu(II)-Mediated Direct Amination Reactions of Arene through High Valent Arylcopper(III) Intermediates.","The Journal of organic chemistry","2016","81","21","10404","10410","10.1021/acs.joc.6b01448","","","0.71073","MoKα","","0.0488","0.0455","","","0.106","0.1088","","","","","","1.091","","","","has coordinates","235658","2020-10-21","18:00:00",""
"4037093","14.185","0.003","15.666","0.004","16.155","0.004","103.785","0.003","96.266","0.003","98.736","0.003","3406.4","1.4","173.15","","173.15","","","","","","","","","5","P -1","-P 1","2","","","","- C32 H28 N8 O3 S -","- C32 H28 N8 O3 S -","- C128 H112 N32 O12 S4 -","4","2","","Liu, Yang; Zhang, Qian; Guo, Qing-Hui; Wang, Mei-Xiang","Synthesis of Functionalized Azacalix[1]arene[3]pyridine Macrocycles from Cu(II)-Mediated Direct Amination Reactions of Arene through High Valent Arylcopper(III) Intermediates.","The Journal of organic chemistry","2016","81","21","10404","10410","10.1021/acs.joc.6b01448","","","0.71073","MoKα","","0.0683","0.061","","","0.156","0.1622","","","","","","1.104","","","","has coordinates","235659","2020-10-21","18:00:00",""
"4037094","7.8629","0.0005","17.9726","0.0009","27.3125","0.0013","90","","90","","90","","3859.7","0.4","291","2","291.15","","","","","","","","","5","P 2 21 21","P 2bc 2","18","","","","- C20 H15 Br N2 O4 -","- C20 H15 Br N2 O4 -","- C160 H120 Br8 N16 O32 -","8","2","","Qiu, Shuai; Lee, Richmond; Zhu, Bo; Coote, Michelle L.; Zhao, Xiaowei; Jiang, Zhiyong","Highly Enantio- and Diastereoselective [4 + 2] Cycloaddition of 5H-oxazol-4-ones with N-Maleimides.","The Journal of organic chemistry","2016","81","17","8061","8069","10.1021/acs.joc.6b01451","","x-ray","0.71073","MoKα","","0.1584","0.0866","","","0.2205","0.264","","","","","","1.035","","","","has coordinates","255262","2020-10-21","18:00:00",""
"4037095","8.5834","0.0014","10.076","0.002","11.212","0.002","76.303","0.016","67.953","0.016","65.886","0.016","816.3","0.3","295","2","295","2","","","","","","","","3","P -1","-P 1","2","","","","- C22 H20 N2 -","- C22 H20 N2 -","- C44 H40 N4 -","2","1","","Zheng, Liyao; Bin, Yunhui; Wang, Yunpeng; Hua, Ruimao","Synthesis of Natural Product-like Polyheterocycles via One-Pot Cascade Oximation, C-H Activation, and Alkyne Annulation.","The Journal of organic chemistry","2016","81","19","8911","8919","10.1021/acs.joc.6b01460","","","0.71073","MoKα","","0.0719","0.0465","","","0.0879","0.1022","","","","","","1.041","","","","has coordinates","235661","2020-10-21","18:00:00",""
"4037096","12.537","0.004","7.148","0.003","15.862","0.003","90","","108.065","0.017","90","","1351.4","0.8","295","2","295","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C18 H15 N O -","- C18 H15 N O -","- C72 H60 N4 O4 -","4","1","","Zheng, Liyao; Bin, Yunhui; Wang, Yunpeng; Hua, Ruimao","Synthesis of Natural Product-like Polyheterocycles via One-Pot Cascade Oximation, C-H Activation, and Alkyne Annulation.","The Journal of organic chemistry","2016","81","19","8911","8919","10.1021/acs.joc.6b01460","","","0.71073","MoKα","","0.0931","0.0514","","","0.0949","0.1083","","","","","","1.055","","","","has coordinates","235662","2020-10-21","18:00:00",""
"4037097","8.686","0.002","7.044","0.002","10.612","0.006","90","","91.27","0.03","90","","649.1","0.4","295","2","295","2","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","","","- C16 H19 N O -","- C16 H19 N O -","- C32 H38 N2 O2 -","2","0.5","","Zheng, Liyao; Bin, Yunhui; Wang, Yunpeng; Hua, Ruimao","Synthesis of Natural Product-like Polyheterocycles via One-Pot Cascade Oximation, C-H Activation, and Alkyne Annulation.","The Journal of organic chemistry","2016","81","19","8911","8919","10.1021/acs.joc.6b01460","","","0.71073","MoKα","","0.0862","0.0534","","","0.1022","0.1165","","","","","","1.02","","","","has coordinates","235663","2020-10-21","18:00:00",""
"4037098","6.88256","0.00013","11.6354","0.0003","17.0068","0.0004","91.8992","0.0018","93.0309","0.0017","103.471","0.0018","1321.15","0.05","286.21","0.1","286.21","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C14 H16 N2 O2 -","- C14 H16 N2 O2 -","- C56 H64 N8 O8 -","4","2","","Lai, Ting-Ting; Xie, Dan; Zhou, Cheng-He; Cai, Gui-Xin","Copper-Catalyzed Inter/Intramolecular N-Alkenylation of Benzimidazoles via Tandem Processes Involving Selectively Mild Iodination of sp<sup>3</sup> C-H Bond at α-Position of Ester.","The Journal of organic chemistry","2016","81","19","8806","8815","10.1021/acs.joc.6b01465","","x-ray","1.54184","CuKα","","0.0505","0.0483","","","0.1312","0.134","","","","","","1.024","","","","has coordinates","250444","2020-10-21","18:00:00",""
"4037099","11.346","0.003","20.72","0.006","8.864","0.003","90","","100.993","0.005","90","","2045.6","1.1","130","2","130","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C26 H17 Cl2 N -","- C26 H17 Cl2 N -","- C104 H68 Cl8 N4 -","4","1","","Thangaraj, Manikandan; Bhojgude, Sachin Suresh; Jain, Shailja; Gonnade, Rajesh G.; Biju, Akkattu T.","Selective Synthesis of N-Unsubstituted and N-Arylindoles by the Reaction of Arynes with Azirines.","The Journal of organic chemistry","2016","81","18","8604","8611","10.1021/acs.joc.6b01472","","","0.71073","MoKα","","0.1038","0.0662","","","0.1238","0.1386","","","","","","1.069","","","","has coordinates","235665","2020-10-21","18:00:00",""
"4037100","7.8272","0.0004","10.8142","0.0005","11.7984","0.0005","115.263","0.002","91.231","0.003","91.976","0.003","901.9","0.07","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C22 H13 F6 N -","- C22 H13 F6 N -","- C44 H26 F12 N2 -","2","1","","Thangaraj, Manikandan; Bhojgude, Sachin Suresh; Jain, Shailja; Gonnade, Rajesh G.; Biju, Akkattu T.","Selective Synthesis of N-Unsubstituted and N-Arylindoles by the Reaction of Arynes with Azirines.","The Journal of organic chemistry","2016","81","18","8604","8611","10.1021/acs.joc.6b01472","","","0.71073","MoKα","","0.0921","0.0749","","","0.1967","0.2086","","","","","","1.065","","","","has coordinates,has disorder","235667","2020-10-21","18:00:00",""
"4037101","12.8411","0.001","6.8502","0.0005","14.7405","0.0011","90","","110.788","0.004","90","","1212.22","0.16","100","2","100","2","","","","","","","","2","P 1 21/n 1","-P 2yn","14","","","","- C40 H22 -","- C40 H22 -","- C80 H44 -","2","0.5","","Yuan, Bingxin; Zhuang, Junpeng; Kirmess, Kristopher M.; Bridgmohan, Chelsea N.; Whalley, Adam C.; Wang, Lichang; Plunkett, Kyle N.","Pentaleno[1,2-a:4,5']diacenaphthylenes: Uniquely Stabilized Pentalene Derivatives.","The Journal of organic chemistry","2016","81","18","8312","8318","10.1021/acs.joc.6b01480","","","1.54178","CuKα","","0.0549","0.0428","","","0.0949","0.1009","","","","","","1.09","","","","has coordinates","235668","2020-10-21","18:00:00",""
"4037102","27.402","0.0003","7.49537","0.00006","20.0684","0.0002","90","","111.423","0.0012","90","","3837.03","0.07","110","2","110","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C23 H24 B F O3 -","- C23 H24 B F O3 -","- C184 H192 B8 F8 O24 -","8","2","","Struble, Mark D.; Guan, Liangyu; Siegler, Maxime A.; Lectka, Thomas","A C-F Bond Directed Diels-Alder Reaction.","The Journal of organic chemistry","2016","81","17","8087","8090","10.1021/acs.joc.6b01489","","","1.54178","CuKα","","0.0407","0.0403","","","0.1094","0.1099","","","","","","1.03","","","","has coordinates","235669","2020-10-21","18:00:00",""
"4037103","9.2797","0.0018","10.762","0.002","16.496","0.004","99.202","0.012","96.89","0.012","90.327","0.011","1614","0.6","153","2","153","2","","","","","","","","5","P 1","P 1","1","","","","- C20 H16 B N O2 -","- C20 H16 B N O2 -","- C80 H64 B4 N4 O8 -","4","4","","Chapin, Brette M.; Metola, Pedro; Lynch, Vincent M.; Stanton, John F.; James, Tony D.; Anslyn, Eric V.","Structural and Thermodynamic Analysis of a Three-Component Assembly Forming ortho-Iminophenylboronate Esters.","The Journal of organic chemistry","2016","81","18","8319","8330","10.1021/acs.joc.6b01495","","","0.71073","MoKα","","0.208","0.1035","","","0.2246","0.2813","","","","","","1.006","","","","has coordinates","235670","2020-10-21","18:00:00",""
"4037104","22.508","0.003","15.8459","0.0017","26.254","0.004","90","","93.149","0.004","90","","9350","2","100","","100","","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C31 H42 N2 O4.67 S -","- C31 H42 N2 O4.66667 S -","- C372 H504 N24 O56 S12 -","12","3","","Hato, Yoshio; Oonishi, Yoshihiro; Yamamoto, Yasunori; Nakajima, Kiyohiko; Sato, Yoshihiro","Stereoselective Construction of Spiro-Fused Tricyclic Frameworks by Sequential Reaction of Enynes, Imines, and Diazoalkenes with Rh(I) and Rh(II) Catalysts.","The Journal of organic chemistry","2016","81","17","7847","7854","10.1021/acs.joc.6b01502","","","1.54187","CuKα","","0.0771","0.0621","","","","0.1598","","","","","","0.713","","","","has coordinates","235671","2020-10-21","18:00:00",""
"4037105","7.1669","0.0004","7.6027","0.0004","13.8637","0.0008","94.992","0.004","92.691","0.004","93.826","0.004","749.8","0.07","372","2","372","2","","","","","","","","3","P 1","P 1","1","citreoviranol","(2'S,4'R6'S)-spiro[6,8-dimethoxyisochroman-1-one-3,6'-2'-methyloxan-4'-ol]","","- C15 H18 O6 -","- C7.5 H9 O3.5 -","- C30 H36 O14 -","4","4","","Quach, Rachelle; Furkert, Daniel P.; Brimble, Margaret A.","Total Synthesis of the Resorcyclic Acid Lactone Spiroketal Citreoviranol.","The Journal of organic chemistry","2016","81","18","8343","8350","10.1021/acs.joc.6b01503","","","0.71073","MoKα","","0.0614","0.0504","","","0.1203","0.1279","","","","","","1.024","","","","has coordinates","235672","2020-10-21","18:00:00",""
"4037106","19.68","0.005","46.734","0.011","6.8945","0.0017","90","","90","","90","","6341","3","296","2","296","2","","","","","","","","5","F d d 2","F 2 -2d","43","","","","- C20 H36 Br2 S4 Si4 -","- C20 H36 Br2 S4 Si4 -","- C160 H288 Br16 S32 Si32 -","8","0.5","","Liu, Qiuxin; Gao, Xiuxiu; Zhong, Hao; Song, Jinsheng; Wang, Hua","Planar Heptathienoacenes Based on Unsymmetric Dithieno[3,2-b:3',4'-d]thiophene: Synthesis and Photophysical Properties.","The Journal of organic chemistry","2016","81","18","8612","8616","10.1021/acs.joc.6b01506","","","0.71073","MoKα","","0.0619","0.0389","","","0.0811","0.0887","","","","","","1.004","","","","has coordinates","235673","2020-10-21","18:00:00",""
"4037107","16.786","0.011","10.68","0.007","11.708","0.008","90","","101.359","0.012","90","","2058","2","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H21 Br S3 Si2 -","- C14 H21 Br S3 Si2 -","- C56 H84 Br4 S12 Si8 -","4","1","","Liu, Qiuxin; Gao, Xiuxiu; Zhong, Hao; Song, Jinsheng; Wang, Hua","Planar Heptathienoacenes Based on Unsymmetric Dithieno[3,2-b:3',4'-d]thiophene: Synthesis and Photophysical Properties.","The Journal of organic chemistry","2016","81","18","8612","8616","10.1021/acs.joc.6b01506","","","0.71073","MoKα","","0.0566","0.0388","","","0.1092","0.1161","","","","","","1.033","","","","has coordinates","235673","2020-10-21","18:00:00",""
"4037108","32.516","0.007","10.235","0.002","11.456","0.002","90","","90","","90","","3812.6","1.3","296","2","296","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C14 H20 S3 Si2 -","- C14 H20 S3 Si2 -","- C112 H160 S24 Si16 -","8","1","","Liu, Qiuxin; Gao, Xiuxiu; Zhong, Hao; Song, Jinsheng; Wang, Hua","Planar Heptathienoacenes Based on Unsymmetric Dithieno[3,2-b:3',4'-d]thiophene: Synthesis and Photophysical Properties.","The Journal of organic chemistry","2016","81","18","8612","8616","10.1021/acs.joc.6b01506","","","0.71073","MoKα","","0.1233","0.0835","","","0.2045","0.2208","","","","","","1.101","","","","has coordinates","235673","2020-10-21","18:00:00",""
"4037109","20.362","0.006","9.842","0.003","19.635","0.006","90","","93.532","0.005","90","","3927","2","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C14 H19 Br S3 Si2 -","- C14 H19 Br S3 Si2 -","- C112 H152 Br8 S24 Si16 -","8","1","","Liu, Qiuxin; Gao, Xiuxiu; Zhong, Hao; Song, Jinsheng; Wang, Hua","Planar Heptathienoacenes Based on Unsymmetric Dithieno[3,2-b:3',4'-d]thiophene: Synthesis and Photophysical Properties.","The Journal of organic chemistry","2016","81","18","8612","8616","10.1021/acs.joc.6b01506","","","0.71073","MoKα","","0.0582","0.0391","","","0.105","0.1115","","","","","","1.041","","","","has coordinates","235673","2020-10-21","18:00:00",""
"4037110","11.669","0.002","33.953","0.007","10.21","0.002","90","","90","","90","","4045.2","1.3","296","2","296","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C28 H36 Cl0 O3 S7 Si4 -","- C28 H36 O3 S7 Si4 -","- C112 H144 O12 S28 Si16 -","4","0.5","","Liu, Qiuxin; Gao, Xiuxiu; Zhong, Hao; Song, Jinsheng; Wang, Hua","Planar Heptathienoacenes Based on Unsymmetric Dithieno[3,2-b:3',4'-d]thiophene: Synthesis and Photophysical Properties.","The Journal of organic chemistry","2016","81","18","8612","8616","10.1021/acs.joc.6b01506","","","0.71073","MoKα","","0.0963","0.0636","","","0.1597","0.1804","","","","","","1.085","","","","has coordinates","235673","2020-10-21","18:00:00",""
"4037111","9.8175","0.0005","5.365","0.0003","14.4448","0.0006","90","","97.206","0.003","90","","754.81","0.07","150","2","150","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C16 H19 N O6 -","- C16 H19 N O6 -","- C32 H38 N2 O12 -","2","1","","Hoogenboom, Jorin; Lutz, Martin; Zuilhof, Han; Wennekes, Tom","Exploring the Chemistry of Bicyclic Isoxazolidines for the Multicomponent Synthesis of Glycomimetic Building Blocks.","The Journal of organic chemistry","2016","81","19","8826","8836","10.1021/acs.joc.6b01515","","","0.71073","MoKα","","0.0485","0.0351","","","0.0733","0.0783","","","","","","1.036","","","","has coordinates","235675","2020-10-21","18:00:00",""
"4037112","12.068","0.005","13.052","0.005","26.055","0.005","90","0.005","90","0.005","90","0.005","4104","2","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C22 H19 F N2 O2 S2 -","- C22 H19 F N2 O2 S2 -","- C176 H152 F8 N16 O16 S16 -","8","2","","Bhattacharyya, Aditya; Kavitha, C. V.; Ghorai, Manas K.","Stereospecific Synthesis of 2-Iminothiazolidines via Domino Ring-Opening Cyclization of Activated Aziridines with Aryl- and Alkyl Isothiocyanates.","The Journal of organic chemistry","2016","81","15","6433","6443","10.1021/acs.joc.6b01551","","","0.71073","MoKα","","0.0974","0.0723","","","0.1593","0.1712","","","","","","1.039","","","","has coordinates","235676","2020-10-21","18:00:00",""
"4037113","14.3343","0.0007","12.9414","0.0006","12.2133","0.0006","90","","114.134","0.001","90","","2067.6","0.17","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C22 H19 Br N2 O2 S2 -","- C22 H19 Br N2 O2 S2 -","- C88 H76 Br4 N8 O8 S8 -","4","1","","Bhattacharyya, Aditya; Kavitha, C. V.; Ghorai, Manas K.","Stereospecific Synthesis of 2-Iminothiazolidines via Domino Ring-Opening Cyclization of Activated Aziridines with Aryl- and Alkyl Isothiocyanates.","The Journal of organic chemistry","2016","81","15","6433","6443","10.1021/acs.joc.6b01551","","","0.71073","MoKα","","0.0564","0.0377","","","0.0717","0.0772","","","","","","1.015","","","","has coordinates","235678","2020-10-21","18:00:00",""
"4037114","12.896","0.004","12.521","0.003","13.524","0.004","90","","91.004","0.01","90","","2183.4","1.1","294","2","294","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C22 H20 Cl2 N2 O2 S -","- C22 H20 Cl2 N2 O2 S -","- C88 H80 Cl8 N8 O8 S4 -","4","1","","Lu, Shuai; Zhu, Xinju; Li, Ke; Guo, Yu-Jing; Wang, Meng-Dan; Zhao, Xue-Mei; Hao, Xin-Qi; Song, Mao-Ping","Reactivity of p-Toluenesulfonylmethyl Isocyanide: Iron-Involved C-H Tosylmethylation of Imidazopyridines in Nontoxic Media.","The Journal of organic chemistry","2016","81","18","8370","8377","10.1021/acs.joc.6b01552","","","0.71073","MoKα","","0.1335","0.0823","","","0.2129","0.2338","","","","","","1.343","","","","has coordinates","235679","2020-10-21","18:00:00",""
"4037115","11.0146","0.0006","14.8262","0.0006","18.3192","0.001","78.356","0.004","88.04","0.005","83.47","0.004","2910.8","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H15 N O2 S -","- C16 H15 N O2 S -","- C128 H120 N8 O16 S8 -","8","4","","Lu, Shuai; Zhu, Xinju; Li, Ke; Guo, Yu-Jing; Wang, Meng-Dan; Zhao, Xue-Mei; Hao, Xin-Qi; Song, Mao-Ping","Reactivity of p-Toluenesulfonylmethyl Isocyanide: Iron-Involved C-H Tosylmethylation of Imidazopyridines in Nontoxic Media.","The Journal of organic chemistry","2016","81","18","8370","8377","10.1021/acs.joc.6b01552","","x-ray","1.54184","CuKα","","0.0698","0.0496","","","0.1285","0.1442","","","","","","1.016","","","","has coordinates","235680","2020-10-21","18:00:00",""
"4037116","14.4027","0.0005","8.6895","0.0003","14.5915","0.0005","90","","108.076","0.001","90","","1736.03","0.1","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C41 H38 F N O9 -","- C41 H38 F N O9 -","- C82 H76 F2 N2 O18 -","2","1","","Zhang, Jiaxing; Cao, Dongdong; Wang, Hongyu; Zheng, Changwu; Zhao, Gang; Shang, Yongjia","Enantioselective Construction of Spirocyclic Oxindoles via Tandem Michael/Michael Reactions Catalyzed by Multifunctional Quaternary Phosphonium Salt.","The Journal of organic chemistry","2016","81","21","10558","10568","10.1021/acs.joc.6b01553","","","1.54178","CuKα","","0.0288","0.0275","","","0.0709","0.0721","","","","","","1.031","","","","has coordinates","235681","2020-10-21","18:00:00",""
"4037117","9.9321","0.0005","14.6138","0.0007","13.9842","0.0007","90","","108.691","0.006","90","","1922.7","0.18","293","2","293.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C36 H44 Cl4 Co2 N4 -","- C36 H44 Cl4 Co2 N4 -","- C72 H88 Cl8 Co4 N8 -","2","0.5","","Xi, Tuo; Lu, Zhan","Cobalt-Catalyzed Hydrosilylation/Cyclization of 1,6-Enynes.","The Journal of organic chemistry","2016","81","19","8858","8866","10.1021/acs.joc.6b01555","","","0.71073","MoKα","","0.056","0.0385","","","0.082","0.0927","","","","","","1.05","","","","has coordinates","235682","2020-10-21","18:00:00",""
"4037118","18.373","0.0008","14.1963","0.0006","6.1767","0.0003","90","","90","","90","","1611.06","0.13","100","2","100","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C18 H19 N O3 -","- C18 H19 N O3 -","- C72 H76 N4 O12 -","4","1","","Szostak, Roman; Shi, Shicheng; Meng, Guangrong; Lalancette, Roger; Szostak, Michal","Ground-State Distortion in N-Acyl-tert-butyl-carbamates (Boc) and N-Acyl-tosylamides (Ts): Twisted Amides of Relevance to Amide N-C Cross-Coupling.","The Journal of organic chemistry","2016","81","17","8091","8094","10.1021/acs.joc.6b01560","","","1.54178","CuKα","","0.0422","0.0404","","","0.1012","0.1024","","","","","","1.046","","","","has coordinates","235683","2020-10-21","18:00:00",""
"4037119","12.5517","0.0003","14.7684","0.0003","18.5336","0.0004","90","","90","","90","","3435.55","0.13","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C20 H17 N O3 S -","- C20 H17 N O3 S -","- C160 H136 N8 O24 S8 -","8","1","","Szostak, Roman; Shi, Shicheng; Meng, Guangrong; Lalancette, Roger; Szostak, Michal","Ground-State Distortion in N-Acyl-tert-butyl-carbamates (Boc) and N-Acyl-tosylamides (Ts): Twisted Amides of Relevance to Amide N-C Cross-Coupling.","The Journal of organic chemistry","2016","81","17","8091","8094","10.1021/acs.joc.6b01560","","","1.54178","CuKα","","0.0311","0.0285","","","0.075","0.0768","","","","","","1.061","","","","has coordinates","235684","2020-10-21","18:00:00",""
"4037120","11.5996","0.0002","17.8298","0.0003","10.5067","0.0002","90","","90.025","0.002","90","","2172.98","0.07","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H33 I N2 O -","- C22 H33 I N2 O -","- C88 H132 I4 N8 O4 -","4","1","","Branná, Petra; Černochová, Jarmila; Rouchal, Michal; Kulhánek, Petr; Babinský, Martin; Marek, Radek; Nečas, Marek; Kuřitka, Ivo; Vícha, Robert","Cooperative Binding of Cucurbit[n]urils and β-Cyclodextrin to Heteroditopic Imidazolium-Based Guests.","The Journal of organic chemistry","2016","81","20","9595","9604","10.1021/acs.joc.6b01564","","","0.71073","MoKα","","0.0179","0.017","","","0.0439","0.0441","","","","","","1.04","","","","has coordinates","235685","2020-10-21","18:00:00",""
"4037121","27.482","0.002","10.0377","0.0005","20.0803","0.0015","90","","124.255","0.011","90","","4578.4","0.8","120","2","120","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C23 H36 N2 O4 S -","- C23 H36 N2 O4 S -","- C184 H288 N16 O32 S8 -","8","1","","Branná, Petra; Černochová, Jarmila; Rouchal, Michal; Kulhánek, Petr; Babinský, Martin; Marek, Radek; Nečas, Marek; Kuřitka, Ivo; Vícha, Robert","Cooperative Binding of Cucurbit[n]urils and β-Cyclodextrin to Heteroditopic Imidazolium-Based Guests.","The Journal of organic chemistry","2016","81","20","9595","9604","10.1021/acs.joc.6b01564","","","0.71073","MoKα","","0.0584","0.0373","","","0.0921","0.0956","","","","","","0.972","","","","has coordinates","235685","2020-10-21","18:00:00",""
"4037122","11.452","0.0011","11.8284","0.0011","23.988","0.002","90","","101.765","0.003","90","","3181.1","0.5","147","2","147","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H13 B F2 N4 -","- C18 H13 B F2 N4 -","- C144 H104 B8 F16 N32 -","8","2","","Liew, Sean K.; Holownia, Aleksandra; Tilley, Andrew J.; Carrera, Elisa I.; Seferos, Dwight S.; Yudin, Andrei K.","A Study of Boratriazaroles: An Underdeveloped Class of Heterocycles.","The Journal of organic chemistry","2016","81","21","10444","10453","10.1021/acs.joc.6b01565","","","0.71073","MoKα","","0.0904","0.0441","","","0.0904","0.1089","","","","","","1.006","","","","has coordinates","235686","2020-10-21","18:00:00",""
"4037123","5.5417","0.0001","16.4181","0.0003","18.137","0.0004","90","","96.848","0.001","90","","1638.41","0.06","147","2","147","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H17 B N4 O -","- C19 H17 B N4 O -","- C76 H68 B4 N16 O4 -","4","1","","Liew, Sean K.; Holownia, Aleksandra; Tilley, Andrew J.; Carrera, Elisa I.; Seferos, Dwight S.; Yudin, Andrei K.","A Study of Boratriazaroles: An Underdeveloped Class of Heterocycles.","The Journal of organic chemistry","2016","81","21","10444","10453","10.1021/acs.joc.6b01565","","","1.54178","CuKα","","0.0376","0.0356","","","0.0861","0.0879","","","","","","1.048","","","","has coordinates","235688","2020-10-21","18:00:00",""
"4037124","9.7748","0.0002","19.5968","0.0004","22.9745","0.0005","90","","99.182","0.001","90","","4344.48","0.16","147","2","147","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C50 H40 B2 N14 -","- C50 H40 B2 N14 -","- C200 H160 B8 N56 -","4","1","","Liew, Sean K.; Holownia, Aleksandra; Tilley, Andrew J.; Carrera, Elisa I.; Seferos, Dwight S.; Yudin, Andrei K.","A Study of Boratriazaroles: An Underdeveloped Class of Heterocycles.","The Journal of organic chemistry","2016","81","21","10444","10453","10.1021/acs.joc.6b01565","","","1.54178","CuKα","","0.0485","0.0407","","","0.099","0.1039","","","","","","1.069","","","","has coordinates","235689","2020-10-21","18:00:00",""
"4037125","9.2268","0.0007","12.1805","0.0009","19.0861","0.0015","90","","90","","90","","2145","0.3","147","2","147","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C24 H16 B Br F2 N4 -","- C24 H16 B Br F2 N4 -","- C96 H64 B4 Br4 F8 N16 -","4","1","","Liew, Sean K.; Holownia, Aleksandra; Tilley, Andrew J.; Carrera, Elisa I.; Seferos, Dwight S.; Yudin, Andrei K.","A Study of Boratriazaroles: An Underdeveloped Class of Heterocycles.","The Journal of organic chemistry","2016","81","21","10444","10453","10.1021/acs.joc.6b01565","","","0.71073","MoKα","","0.04","0.0278","","","0.0524","0.0554","","","","","","1.019","","","","has coordinates","235690","2020-10-21","18:00:00",""
"4037126","11.5796","0.0004","10.5928","0.0003","16.6027","0.0006","90","","96.501","0.003","90","","2023.4","0.12","99.99","0.1","99.99","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C21 H32 N2 O3 -","- C21 H32 N2 O3 -","- C84 H128 N8 O12 -","4","2","","Osorio-Nieto, Urbano; Chamorro-Arenas, Delfino; Quintero, Leticia; Höpfl, Herbert; Sartillo-Piscil, Fernando","Transition Metal-Free Selective Double sp(3) C-H Oxidation of Cyclic Amines to 3-Alkoxyamine Lactams.","The Journal of organic chemistry","2016","81","18","8625","8632","10.1021/acs.joc.6b01566","","x-ray","0.71073","MoKα","","0.0506","0.0471","","","0.1174","0.1195","","","","","","1.107","","","","has coordinates","235691","2020-10-21","18:00:00",""
"4037127","10.8941","0.0005","8.3839","0.0004","11.321","0.0005","90","","99.104","0.004","90","","1020.98","0.08","99.99","0.1","99.99","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C21 H32 N2 O3 -","- C21 H32 N2 O3 -","- C42 H64 N4 O6 -","2","1","","Osorio-Nieto, Urbano; Chamorro-Arenas, Delfino; Quintero, Leticia; Höpfl, Herbert; Sartillo-Piscil, Fernando","Transition Metal-Free Selective Double sp(3) C-H Oxidation of Cyclic Amines to 3-Alkoxyamine Lactams.","The Journal of organic chemistry","2016","81","18","8625","8632","10.1021/acs.joc.6b01566","","x-ray","0.71073","MoKα","","0.0422","0.0391","","","0.0844","0.0866","","","","","","1.081","","","","has coordinates","235692","2020-10-21","18:00:00",""
"4037128","8.8171","0.0006","8.8171","0.0006","42.31","0.003","90","","90","","90","","3289.2","0.4","97","2","97","2","","","","","","","","4","P 43 21 2","P 4nw 2abw","96","","","","- C15 H25 N O5 -","- C15 H25 N O5 -","- C120 H200 N8 O40 -","8","1","","Salih, Nabaz; Adams, Harry; Jackson, Richard F. W.","Synthesis of ω-Oxo Amino Acids and trans-5-Substituted Proline Derivatives Using Cross-Metathesis of Unsaturated Amino Acids.","The Journal of organic chemistry","2016","81","18","8386","8393","10.1021/acs.joc.6b01571","","","0.71073","MoKα","","0.0615","0.0555","","","0.1267","0.13","","","","","","1.131","","","","has coordinates,has disorder","235694","2020-10-21","18:00:00",""
"4037129","8.9295","0.001","14.3156","0.0015","21.898","0.002","90","","93.139","0.004","90","","2795","0.5","97","2","97","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C11 H16 F3 N O5 -","- C11 H16 F3 N O5 -","- C88 H128 F24 N8 O40 -","8","4","","Salih, Nabaz; Adams, Harry; Jackson, Richard F. W.","Synthesis of ω-Oxo Amino Acids and trans-5-Substituted Proline Derivatives Using Cross-Metathesis of Unsaturated Amino Acids.","The Journal of organic chemistry","2016","81","18","8386","8393","10.1021/acs.joc.6b01571","","","0.71073","MoKα","","0.1451","0.0924","","","0.2193","0.2483","","","","","","1.08","","","","has coordinates","235694","2020-10-21","18:00:00",""
"4037130","6.9029","0.0003","9.9051","0.0005","21.6344","0.0011","90","","90","","90","","1479.23","0.12","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C12 H18 F3 N O5 -","- C12 H18 F3 N O5 -","- C48 H72 F12 N4 O20 -","4","1","","Salih, Nabaz; Adams, Harry; Jackson, Richard F. W.","Synthesis of ω-Oxo Amino Acids and trans-5-Substituted Proline Derivatives Using Cross-Metathesis of Unsaturated Amino Acids.","The Journal of organic chemistry","2016","81","18","8386","8393","10.1021/acs.joc.6b01571","","","0.71073","MoKα","","0.1254","0.0863","","","0.2209","0.2401","","","","","","1.52","","","","has coordinates,has disorder","235694","2020-10-21","18:00:00",""
"4037131","9.7482","0.0014","22.448","0.003","7.0961","0.0012","90","","90","","90","","1552.8","0.4","97","2","97","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C13 H20 F3 N O5 -","- C13 H20 F3 N O5 -","- C52 H80 F12 N4 O20 -","4","1","","Salih, Nabaz; Adams, Harry; Jackson, Richard F. W.","Synthesis of ω-Oxo Amino Acids and trans-5-Substituted Proline Derivatives Using Cross-Metathesis of Unsaturated Amino Acids.","The Journal of organic chemistry","2016","81","18","8386","8393","10.1021/acs.joc.6b01571","","","0.71073","MoKα","","0.1214","0.0882","","","0.2271","0.2506","","","","","","1.045","","","","has coordinates","235694","2020-10-21","18:00:00",""
"4037132","10.963","0.0005","18.4513","0.0008","33.0607","0.0014","97.697","0.0016","97.8872","0.0016","100.97","0.0016","6414.6","0.5","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C76 H78 N6 O8 -","- C76 H78 N6 O8 -","- C304 H312 N24 O32 -","4","2","","Schulze, Marcus; Philipp, Michael; Waigel, Waldemar; Schmidt, David; Würthner, Frank","Library of Azabenz-Annulated Core-Extended Perylene Derivatives with Diverse Substitution Patterns and Tunable Electronic and Optical Properties.","The Journal of organic chemistry","2016","81","18","8394","8405","10.1021/acs.joc.6b01573","","","1.54178","CuKα","","0.0895","0.0809","","","0.2239","0.2313","","","","","","1.065","","","","has coordinates,has disorder","235696","2020-10-21","18:00:00",""
"4037133","6.844","0.003","20.465","0.01","15.152","0.007","90","","98.215","0.008","90","","2100.4","1.7","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C23 H26 N2 O7 -","- C23 H26 N2 O7 -","- C92 H104 N8 O28 -","4","1","","Türkmen, Yunus E; Gravel, Michel; Rawal, Viresh H.","Studies Directed toward the Synthesis of Aspidophytine: Construction of Its Perhydroquinoline Core.","The Journal of organic chemistry","2016","81","21","10454","10462","10.1021/acs.joc.6b01574","","","0.71073","MoKα","","0.0504","0.0455","","","0.1139","0.1167","","","","","","1.122","","","","has coordinates","235698","2020-10-21","18:00:00",""
"4037134","11.7545","0.0005","7.3182","0.0003","13.4982","0.0005","90","","107.737","0.002","90","","1105.94","0.08","100","","100","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C24 H24 N8 O4 -","- C24 H24 N8 O4 -","- C48 H48 N16 O8 -","2","0.5","","Unnamatla, M. V. Basavanag; Islas-Jácome, Alejandro; Quezada-Soto, Andrea; Ramírez-López, Sandra C; Flores-Álamo, Marcos; Gámez-Montaño, Rocío","Multicomponent One-Pot Synthesis of 3-Tetrazolyl and 3-Imidazo[1,2-a]pyridin Tetrazolo[1,5-a]quinolines.","The Journal of organic chemistry","2016","81","21","10576","10583","10.1021/acs.joc.6b01576","","","0.71073","MoKα","","0.0488","0.0398","","","0.0947","0.0994","","","","","","1.044","","","","has coordinates","235699","2020-10-21","18:00:00",""
"4037135","20.7679","0.0004","9.58691","0.00017","23.2936","0.0005","90","","105.633","0.002","90","","4466.19","0.16","294","","294","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C21 H21 N9 -","- C21 H21 N9 -","- C168 H168 N72 -","8","1","","Unnamatla, M. V. Basavanag; Islas-Jácome, Alejandro; Quezada-Soto, Andrea; Ramírez-López, Sandra C; Flores-Álamo, Marcos; Gámez-Montaño, Rocío","Multicomponent One-Pot Synthesis of 3-Tetrazolyl and 3-Imidazo[1,2-a]pyridin Tetrazolo[1,5-a]quinolines.","The Journal of organic chemistry","2016","81","21","10576","10583","10.1021/acs.joc.6b01576","","x-ray","1.54184","CuKα","","0.0546","0.0481","","","0.1494","0.1569","","","","","","1.057","","","","has coordinates","235701","2020-10-21","18:00:00",""
"4037136","6.3635","0.0004","22.8369","0.0016","12.9558","0.0009","90","","95.1","0.006","90","","1875.3","0.2","153","2","153","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C22 H21 N7 -","- C22 H21 N7 -","- C88 H84 N28 -","4","1","","Unnamatla, M. V. Basavanag; Islas-Jácome, Alejandro; Quezada-Soto, Andrea; Ramírez-López, Sandra C; Flores-Álamo, Marcos; Gámez-Montaño, Rocío","Multicomponent One-Pot Synthesis of 3-Tetrazolyl and 3-Imidazo[1,2-a]pyridin Tetrazolo[1,5-a]quinolines.","The Journal of organic chemistry","2016","81","21","10576","10583","10.1021/acs.joc.6b01576","","","0.71073","MoKα","","0.08","0.0501","","","0.1095","0.1295","","","","","","1.023","","","","has coordinates","235702","2020-10-21","18:00:00",""
"4037137","11.8431","0.0007","16.1181","0.0009","10.8078","0.0005","90","","93.181","0.005","90","","2059.9","0.19","293","2","293","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","N-((1-(tert-butyl)-1H-tetrazol-5-yl)(2-chloroquinolin-3-yl)methyl)aniline","","- C21 H21 Cl N6 -","- C21 H21 Cl N6 -","- C84 H84 Cl4 N24 -","4","1","","Unnamatla, M. V. Basavanag; Islas-Jácome, Alejandro; Quezada-Soto, Andrea; Ramírez-López, Sandra C; Flores-Álamo, Marcos; Gámez-Montaño, Rocío","Multicomponent One-Pot Synthesis of 3-Tetrazolyl and 3-Imidazo[1,2-a]pyridin Tetrazolo[1,5-a]quinolines.","The Journal of organic chemistry","2016","81","21","10576","10583","10.1021/acs.joc.6b01576","","x-ray","0.71073","MoKα","","0.0636","0.0422","","","0.0928","0.1043","","","","","","1.0335","","","","has coordinates","235703","2020-10-21","18:00:00",""
"4037138","9.3977","0.0016","14.478","0.003","17.17","0.003","68.007","0.005","79.865","0.005","75.921","0.005","2091.7","0.7","122","2","122","2","","","","","","","","4","P 1","P 1","1","","","","- C42 H44 Br2 S8 -","- C42 H44 Br2 S8 -","- C84 H88 Br4 S16 -","2","2","","Mansø, Mads; Koole, Max; Mulder, Maarten; Olavarria-Contreras, Ignacio J; Andersen, Cecilie Lindholm; Jevric, Martyn; Broman, Søren Lindbæk; Kadziola, Anders; Hammerich, Ole; van der Zant, Herre S. J.; Nielsen, Mogens Brøndsted","Synthesis and Single-Molecule Conductances of Neutral and Cationic Indenofluorene-Extended Tetrathiafulvalenes: Kondo Effect Molecules.","The Journal of organic chemistry","2016","81","18","8406","8414","10.1021/acs.joc.6b01579","","","0.71073","MoKα","","0.2136","0.1124","","","0.2498","0.3145","","","","","","1.026","","","","has coordinates","253206","2020-10-21","18:00:00",""
"4037139","15.739","0.007","6.567","0.003","16.007","0.007","90","","104.164","0.011","90","","1604.2","1.2","113","2","113","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C29 H49 N O5 Si2 -","- C29 H49 N O5 Si2 -","- C58 H98 N2 O10 Si4 -","2","1","","Williams, David R.; Donnell, Andrew F.; Kammler, David C.; Ward, Sarah A.; Taylor, 4th, Levin","Studies of Azetidin-2-one as a Reactive Enolate Synthon of β-Alanine for Condensations with Aldehydes and Ketones.","The Journal of organic chemistry","2016","81","21","10463","10475","10.1021/acs.joc.6b01585","","","0.71073","MoKα","","0.3227","0.1099","","","0.2236","0.2695","","","","","","0.845","","","","has coordinates","235705","2020-10-21","18:00:00",""
"4037140","19.3196","0.0011","7.0712","0.0004","20.3849","0.0011","90","","110.116","0.001","90","","2615","0.3","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C26 H33 Cl N4 O3 S -","- C26 H33 Cl N4 O3 S -","- C104 H132 Cl4 N16 O12 S4 -","4","1","","Selvaraju, Manikandan; Dhole, Sandip; Sun, Chung-Ming","Three Component Divergent Reactions: Base-Controlled Amphiphilic Synthesis of Benzimidazole-Linked Thiazetidines and Fused Thiadiazines.","The Journal of organic chemistry","2016","81","19","8867","8875","10.1021/acs.joc.6b01586","","","0.71073","MoKα","","0.0432","0.033","","","0.0909","0.1026","","","","","","1.083","","","","has coordinates","235706","2020-10-21","18:00:00",""
"4037141","9.5462","0.0004","16.1174","0.0007","16.3038","0.0007","102.401","0.002","98.11","0.002","90.57","0.002","2423.37","0.18","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H30 N4 O2 S -","- C26 H30 N4 O2 S -","- C104 H120 N16 O8 S4 -","4","2","","Selvaraju, Manikandan; Dhole, Sandip; Sun, Chung-Ming","Three Component Divergent Reactions: Base-Controlled Amphiphilic Synthesis of Benzimidazole-Linked Thiazetidines and Fused Thiadiazines.","The Journal of organic chemistry","2016","81","19","8867","8875","10.1021/acs.joc.6b01586","","","0.71073","MoKα","","0.1081","0.0612","","","0.1734","0.2197","","","","","","1.028","","","","has coordinates","235708","2020-10-21","18:00:00",""
"4037142","10.3634","0.0003","7.8244","0.0002","13.9755","0.0004","90","","110.811","0.001","90","","1059.3","0.05","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C27 H20 Br N O3 -","- C27 H20 Br N O3 -","- C54 H40 Br2 N2 O6 -","2","1","","Yao, Hong; Zhou, Yu; Chen, Xia; Zhang, Pengfei; Xu, Jinyi; Liu, Hong","N-Heterocyclic Carbene Catalytic [4 + 2] Cyclization of 3-Alkylenyloxindoles with Enals: γ-Carbon Activation for Enantioselective Assembly of Spirocarbocyclic Oxindoles.","The Journal of organic chemistry","2016","81","19","8888","8899","10.1021/acs.joc.6b01596","","","0.71073","MoKα","","0.0189","0.0176","","","0.0429","0.0432","","","","","","1.038","","","","has coordinates","235709","2020-10-21","18:00:00",""
"4037143","6.7332","0.0004","13.7973","0.0009","12.349","0.0008","90","","98.601","0.005","90","","1134.32","0.13","170","2","170","2","","","","","","","","6","P 1 21 1","P 2yb","4","1","","","- C22 H21 Cl3 F N O4 -","- C22 H21 Cl3 F N O4 -","- C44 H42 Cl6 F2 N2 O8 -","2","1","","Yao, Hong; Zhou, Yu; Chen, Xia; Zhang, Pengfei; Xu, Jinyi; Liu, Hong","N-Heterocyclic Carbene Catalytic [4 + 2] Cyclization of 3-Alkylenyloxindoles with Enals: γ-Carbon Activation for Enantioselective Assembly of Spirocarbocyclic Oxindoles.","The Journal of organic chemistry","2016","81","19","8888","8899","10.1021/acs.joc.6b01596","","","0.71073","MoKα","","0.0801","0.0642","","","0.1685","0.18","","","","","","1.044","","","","has coordinates","235711","2020-10-21","18:00:00",""
"4037144","6.3639","0.0002","8.9633","0.0002","17.8417","0.0005","78.27","0.001","81.768","0.001","71.215","0.001","940.07","0.05","170","2","170","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H18 Br N O4 -","- C22 H18 Br N O4 -","- C44 H36 Br2 N2 O8 -","2","1","","Yao, Hong; Zhou, Yu; Chen, Xia; Zhang, Pengfei; Xu, Jinyi; Liu, Hong","N-Heterocyclic Carbene Catalytic [4 + 2] Cyclization of 3-Alkylenyloxindoles with Enals: γ-Carbon Activation for Enantioselective Assembly of Spirocarbocyclic Oxindoles.","The Journal of organic chemistry","2016","81","19","8888","8899","10.1021/acs.joc.6b01596","","","0.71073","MoKα","","0.0355","0.0279","","","0.0746","0.0857","","","","","","1.081","","","","has coordinates","235712","2020-10-21","18:00:00",""
"4037145","24.739","0.002","6.5307","0.0006","22.413","0.002","90","","90","","90","","3621.1","0.5","296","2","296","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C22 H18 Cl N O3 -","- C22 H18 Cl N O3 -","- C176 H144 Cl8 N8 O24 -","8","2","","Yao, Hong; Zhou, Yu; Chen, Xia; Zhang, Pengfei; Xu, Jinyi; Liu, Hong","N-Heterocyclic Carbene Catalytic [4 + 2] Cyclization of 3-Alkylenyloxindoles with Enals: γ-Carbon Activation for Enantioselective Assembly of Spirocarbocyclic Oxindoles.","The Journal of organic chemistry","2016","81","19","8888","8899","10.1021/acs.joc.6b01596","","","0.71073","MoKα","","0.1455","0.0578","","","0.1214","0.165","","","","","","0.944","","","","has coordinates","235713","2020-10-21","18:00:00",""
"4037146","32.0719","0.0007","9.2396","0.0002","20.2331","0.0004","90","","109.779","0.001","90","","5642","0.2","296","","296","","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C33 H30 N4 O3 -","- C33 H30 N4 O3 -","- C264 H240 N32 O24 -","8","2","","Zhu, Qiu-Ning; Zhang, Yu-Chen; Xu, Meng-Meng; Sun, Xiao-Xue; Yang, Xue; Shi, Feng","Enantioselective Construction of Tetrahydroquinolin-5-one-Based Spirooxindole Scaffold via an Organocatalytic Asymmetric Multicomponent [3 + 3] Cyclization.","The Journal of organic chemistry","2016","81","17","7898","7907","10.1021/acs.joc.6b01598","","","1.54178","CuKα","","0.0707","0.054","","","0.1393","0.1557","","","","","","1.005","","","","has coordinates","235715","2020-10-21","18:00:00",""
"4037147","10.3127","0.0007","15.4821","0.001","17.4751","0.001","90","","90","","90","","2790.1","0.3","120","2","120","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C30 H32 N8 O8 -","- C30 H32 N8 O8 -","- C120 H128 N32 O32 -","4","0.5","","Lizal, Tomas; Ustrnul, Lukas; Necas, Marek; Sindelar, Vladimir","Propanediurea-Based Molecular Clips Bind Halide Anions: An Insight into the Mechanism of Cucurbituril Formation.","The Journal of organic chemistry","2016","81","19","8906","8910","10.1021/acs.joc.6b01602","","","0.71073","MoKα","","0.07","0.0351","","","0.068","0.0733","","","","","","0.883","","","","has coordinates","235717","2020-10-21","18:00:00",""
"4037148","12.7798","0.001","15.4587","0.0011","19.4909","0.0011","90","","90","","90","","3850.6","0.5","120","2","120","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C34 H42.5 Cl6 N8 O6.25 -","- C34 H42 Cl6 N8 O6.25 -","- C136 H168 Cl24 N32 O25 -","4","0.5","","Lizal, Tomas; Ustrnul, Lukas; Necas, Marek; Sindelar, Vladimir","Propanediurea-Based Molecular Clips Bind Halide Anions: An Insight into the Mechanism of Cucurbituril Formation.","The Journal of organic chemistry","2016","81","19","8906","8910","10.1021/acs.joc.6b01602","","","0.71073","MoKα","","0.0678","0.0365","","","0.0783","0.0827","","","","","","0.874","","","","has coordinates","235718","2020-10-21","18:00:00",""
"4037149","7.7978","0.0018","12.383","0.003","15.345","0.004","90","","90","","90","","1481.7","0.6","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C17 H24 O3 -","- C17 H24 O3 -","- C68 H96 O12 -","4","1","","Dorel, Ruth; Echavarren, Antonio M.","Ready Access to the Echinopines Skeleton via Gold(I)-Catalyzed Alkoxycyclizations of Enynes.","The Journal of organic chemistry","2016","81","18","8444","8454","10.1021/acs.joc.6b01607","","","0.7107","MoKα","","0.0319","0.0303","","","0.0832","0.0846","","","","","","1.135","","","","has coordinates","235719","2020-10-21","18:00:00",""
"4037150","16.3707","0.0004","9.479","0.0002","11.3192","0.0003","90","","90","","90","","1756.49","0.07","100","2","100","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C21 H21 N O5 -","- C21 H21 N O5 -","- C84 H84 N4 O20 -","4","1","","Dorel, Ruth; Echavarren, Antonio M.","Ready Access to the Echinopines Skeleton via Gold(I)-Catalyzed Alkoxycyclizations of Enynes.","The Journal of organic chemistry","2016","81","18","8444","8454","10.1021/acs.joc.6b01607","","","0.7107","MoKα","","0.0355","0.0324","","","0.0866","0.088","","","","","","1.073","","","","has coordinates","235720","2020-10-21","18:00:00",""
"4037151","9.2535","0.0012","7.9107","0.0008","17.528","0.01","90","","104.79","0.03","90","","1240.6","0.8","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C14 H18 N2 O -","- C14 H18 N2 O -","- C56 H72 N8 O4 -","4","1","","Pušavec Kirar, Eva; Drev, Miha; Mirnik, Jona; Grošelj, Uroš; Golobič, Amalija; Dahmann, Georg; Požgan, Franc; Štefane, Bogdan; Svete, Jurij","Synthesis of 3D-Rich Heterocycles: Hexahydropyrazolo[1,5-a]pyridin-2(1H)-ones and Octahydro-2H-2a,2a<sup>1</sup>-diazacyclopenta[cd]inden-2-ones.","The Journal of organic chemistry","2016","81","19","8920","8933","10.1021/acs.joc.6b01608","","","0.71073","MoKα","","0.0706","0.0483","","","0.1109","0.1249","","","","","","1.038","","","","has coordinates","235721","2020-10-21","18:00:00",""
"4037152","14.2317","0.0008","8.1922","0.0004","15.0607","0.0007","90","","94.054","0.004","90","","1751.52","0.15","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C21 H24 N2 O -","- C21 H24 N2 O -","- C84 H96 N8 O4 -","4","1","","Pušavec Kirar, Eva; Drev, Miha; Mirnik, Jona; Grošelj, Uroš; Golobič, Amalija; Dahmann, Georg; Požgan, Franc; Štefane, Bogdan; Svete, Jurij","Synthesis of 3D-Rich Heterocycles: Hexahydropyrazolo[1,5-a]pyridin-2(1H)-ones and Octahydro-2H-2a,2a<sup>1</sup>-diazacyclopenta[cd]inden-2-ones.","The Journal of organic chemistry","2016","81","19","8920","8933","10.1021/acs.joc.6b01608","","","0.71073","MoKα","","0.0763","0.0513","","","0.1209","0.1371","","","","","","1.036","","","","has coordinates","235722","2020-10-21","18:00:00",""
"4037153","7.7399","0.0002","11.9828","0.0003","15.8596","0.0004","90","","90","","90","","1470.91","0.06","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C17 H18 N2 O2 -","- C17 H18 N2 O2 -","- C68 H72 N8 O8 -","4","1","","Pušavec Kirar, Eva; Drev, Miha; Mirnik, Jona; Grošelj, Uroš; Golobič, Amalija; Dahmann, Georg; Požgan, Franc; Štefane, Bogdan; Svete, Jurij","Synthesis of 3D-Rich Heterocycles: Hexahydropyrazolo[1,5-a]pyridin-2(1H)-ones and Octahydro-2H-2a,2a<sup>1</sup>-diazacyclopenta[cd]inden-2-ones.","The Journal of organic chemistry","2016","81","19","8920","8933","10.1021/acs.joc.6b01608","","","1.54184","CuKα","","0.0351","0.0334","","","0.0891","0.0906","","","","","","1.068","","","","has coordinates","235723","2020-10-21","18:00:00",""
"4037154","10.3267","0.0002","16.3628","0.0004","23.168","0.0006","90","","90","","90","","3914.78","0.16","293","2","293","2","","","","","","","","4","P b n a","-P 2ac 2b","60","","","","- C23 H25 N3 O2 -","- C23 H25 N3 O2 -","- C184 H200 N24 O16 -","8","1","","Pušavec Kirar, Eva; Drev, Miha; Mirnik, Jona; Grošelj, Uroš; Golobič, Amalija; Dahmann, Georg; Požgan, Franc; Štefane, Bogdan; Svete, Jurij","Synthesis of 3D-Rich Heterocycles: Hexahydropyrazolo[1,5-a]pyridin-2(1H)-ones and Octahydro-2H-2a,2a<sup>1</sup>-diazacyclopenta[cd]inden-2-ones.","The Journal of organic chemistry","2016","81","19","8920","8933","10.1021/acs.joc.6b01608","","","0.71073","MoKα","","0.1522","0.0994","","","0.1966","0.2497","","","","","","1.184","","","","has coordinates","235725","2020-10-21","18:00:00",""
"4037155","14.5243","0.0009","9.1341","0.0005","13.5926","0.0007","90","","103.748","0.006","90","","1751.62","0.18","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H20 N2 O5 -","- C19 H20 N2 O5 -","- C76 H80 N8 O20 -","4","1","","Pušavec Kirar, Eva; Drev, Miha; Mirnik, Jona; Grošelj, Uroš; Golobič, Amalija; Dahmann, Georg; Požgan, Franc; Štefane, Bogdan; Svete, Jurij","Synthesis of 3D-Rich Heterocycles: Hexahydropyrazolo[1,5-a]pyridin-2(1H)-ones and Octahydro-2H-2a,2a<sup>1</sup>-diazacyclopenta[cd]inden-2-ones.","The Journal of organic chemistry","2016","81","19","8920","8933","10.1021/acs.joc.6b01608","","","0.71073","MoKα","","0.0679","0.0474","","","0.1073","0.121","","","","","","1.044","","","","has coordinates","235727","2020-10-21","18:00:00",""
"4037156","13.1645","0.0003","18.243","0.0003","8.3056","0.0001","90","","104.309","0.002","90","","1932.79","0.06","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C23 H21 N3 O3 -","- C23 H21 N3 O3 -","- C92 H84 N12 O12 -","4","1","","Pušavec Kirar, Eva; Drev, Miha; Mirnik, Jona; Grošelj, Uroš; Golobič, Amalija; Dahmann, Georg; Požgan, Franc; Štefane, Bogdan; Svete, Jurij","Synthesis of 3D-Rich Heterocycles: Hexahydropyrazolo[1,5-a]pyridin-2(1H)-ones and Octahydro-2H-2a,2a<sup>1</sup>-diazacyclopenta[cd]inden-2-ones.","The Journal of organic chemistry","2016","81","19","8920","8933","10.1021/acs.joc.6b01608","","","1.54184","","","0.0584","0.0487","","","0.1311","0.1421","","","","","","1.042","","","","has coordinates","235729","2020-10-21","18:00:00",""
"4037157","10.5786","0.001","17.4231","0.0017","22.099","0.002","90","","90","","90","","4073.1","0.7","93","","93","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C51 H51 Cl N2 Pd -","- C51 H51 Cl N2 Pd -","- C204 H204 Cl4 N8 Pd4 -","4","1","","Kuriyama, Masami; Hamaguchi, Norihisa; Yano, Gemba; Tsukuda, Kotaro; Sato, Kanako; Onomura, Osamu","Deuterodechlorination of Aryl/Heteroaryl Chlorides Catalyzed by a Palladium/Unsymmetrical NHC System.","The Journal of organic chemistry","2016","81","19","8934","8946","10.1021/acs.joc.6b01609","","","0.71075","MoKα","","0.03","0.0271","","","0.0607","0.0671","","","","","","1.077","","","","has coordinates","235731","2020-10-21","18:00:00",""
"4037158","14.091","0.002","12.527","0.002","27.256","0.004","90","","92.128","0.003","90","","4807.9","1.2","93","","93","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C52 H46 Cl2 F6 N2 Pd Sb -","- C52 H46 Cl2 F6 N2 Pd Sb -","- C208 H184 Cl8 F24 N8 Pd4 Sb4 -","4","1","","Kuriyama, Masami; Hamaguchi, Norihisa; Yano, Gemba; Tsukuda, Kotaro; Sato, Kanako; Onomura, Osamu","Deuterodechlorination of Aryl/Heteroaryl Chlorides Catalyzed by a Palladium/Unsymmetrical NHC System.","The Journal of organic chemistry","2016","81","19","8934","8946","10.1021/acs.joc.6b01609","","","0.71075","MoKα","","0.0813","0.0638","","","0.1344","0.1451","","","","","","1.072","","","","has coordinates","235731","2020-10-21","18:00:00",""
"4037159","9.586","0.004","10.266","0.004","19.842","0.008","90","","90","","90","","1952.6","1.4","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C19 H24 Br N O4 -","- C19 H24 Br N O4 -","- C76 H96 Br4 N4 O16 -","4","1","","Liu, Ye; Ren, Wei-Min; He, Ke-Ke; Zhang, Wen-Zhen; Li, Wen-Bing; Wang, Meng; Lu, Xiao-Bing","CO<sub>2</sub>-Mediated Formation of Chiral Carbamates from meso-Epoxides via Polycarbonate Intermediates.","The Journal of organic chemistry","2016","81","19","8959","8966","10.1021/acs.joc.6b01616","","","0.71073","MoKα","","0.0984","0.0438","","","0.0982","0.1171","","","","","","1.007","","","","has coordinates","235733","2020-10-21","18:00:00",""
"4037160","7.794","0.0004","10.8229","0.0005","22.0776","0.0014","90","","96.438","0.005","90","","1850.58","0.17","120","2","120","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C21 H22 O7 -","- C21 H22 O7 -","- C84 H88 O28 -","4","1","","Inman, Martyn; Carvalho, Catarina; Lewis, William; Moody, Christopher J.","Synthesis of the Reported Pyranonaphthoquinone Structure of the Indoleamine-2,3-dioxygenase Inhibitor Annulin B by Regioselective Diels-Alder Reaction.","The Journal of organic chemistry","2016","81","17","7924","7930","10.1021/acs.joc.6b01622","","x-ray","1.54184","CuKα","","0.0402","0.0371","","","0.0978","0.1","","","","","","1.044","","","","has coordinates","235735","2020-10-21","18:00:00",""
"4037161","13.4784","0.0009","10.3443","0.0007","10.47","0.0007","90","","97.12","0.006","90","","1448.52","0.17","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H13 Br O6 -","- C14 H13 Br O6 -","- C56 H52 Br4 O24 -","4","1","","Inman, Martyn; Carvalho, Catarina; Lewis, William; Moody, Christopher J.","Synthesis of the Reported Pyranonaphthoquinone Structure of the Indoleamine-2,3-dioxygenase Inhibitor Annulin B by Regioselective Diels-Alder Reaction.","The Journal of organic chemistry","2016","81","17","7924","7930","10.1021/acs.joc.6b01622","","x-ray","1.54184","CuKα","","0.0478","0.0441","","","0.1112","0.1136","","","","","","1.098","","","","has coordinates","235736","2020-10-21","18:00:00",""
"4037162","11.085","","12.4569","0.0004","13.1946","0.0006","82.61","0.012","78.913","0.013","66.044","0.009","1631.35","0.16","298","","298","","","","","","","","","4","P -1","-P 1","2","","","","- C39 H41 N2 O3 -","- C39 H41 N2 O3 -","- C78 H82 N4 O6 -","2","1","","Gopalakrishnan, Bojan; Mohan, Sruthi; Parella, Ramarao; Babu, Srinivasarao Arulananda","Diastereoselective Pd(II)-Catalyzed sp<sup>3</sup> C-H Arylation Followed by Ring Opening of Cyclopropanecarboxamides: Construction of anti β-Acyloxy Carboxamide Derivatives.","The Journal of organic chemistry","2016","81","19","8988","9005","10.1021/acs.joc.6b01635","","","0.71073","MoKα","","0.0936","0.0799","","","0.2384","0.2582","","","","","","1.075","","","","has coordinates","235737","2020-10-21","18:00:00",""
"4037163","9.8019","0.0003","10.9059","0.0004","14.889","0.003","88.7","0.04","76.55","0.04","65.55","0.03","1404.3","0.5","293","","293","","","","","","","","","5","P -1","-P 1","2","","","","- C34 H31 N2 O3 S -","- C34 H31 N2 O3 S -","- C68 H62 N4 O6 S2 -","2","1","","Gopalakrishnan, Bojan; Mohan, Sruthi; Parella, Ramarao; Babu, Srinivasarao Arulananda","Diastereoselective Pd(II)-Catalyzed sp<sup>3</sup> C-H Arylation Followed by Ring Opening of Cyclopropanecarboxamides: Construction of anti β-Acyloxy Carboxamide Derivatives.","The Journal of organic chemistry","2016","81","19","8988","9005","10.1021/acs.joc.6b01635","","","0.71075","MoKα","","0.1596","0.1065","","","0.2717","0.3112","","","","","","1.5759","","","","has coordinates","235739","2020-10-21","18:00:00",""
"4037164","13.9914","0.0006","9.7455","0.0004","19.645","0.0007","90","","93.161","0.003","90","","2674.58","0.19","298","","298","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C31 H29 N O3 S -","- C31 H29 N O3 S -","- C124 H116 N4 O12 S4 -","4","1","","Gopalakrishnan, Bojan; Mohan, Sruthi; Parella, Ramarao; Babu, Srinivasarao Arulananda","Diastereoselective Pd(II)-Catalyzed sp<sup>3</sup> C-H Arylation Followed by Ring Opening of Cyclopropanecarboxamides: Construction of anti β-Acyloxy Carboxamide Derivatives.","The Journal of organic chemistry","2016","81","19","8988","9005","10.1021/acs.joc.6b01635","","","0.71073","MOKα","","0.147786","0.063522","","","","0.185048","","","","","","0.996549","","","","has coordinates","235740","2020-10-21","18:00:00",""
"4037165","8.8959","0.0005","11.9585","0.0007","13.9954","0.0013","89.79","0.009","85.921","0.007","78.734","0.008","1456.39","0.18","293","","293","","","","","","","","","4","P -1","-P 1","2","","","","- C36 H34 N2 O3 -","- C36 H34 N2 O3 -","- C72 H68 N4 O6 -","2","1","","Gopalakrishnan, Bojan; Mohan, Sruthi; Parella, Ramarao; Babu, Srinivasarao Arulananda","Diastereoselective Pd(II)-Catalyzed sp<sup>3</sup> C-H Arylation Followed by Ring Opening of Cyclopropanecarboxamides: Construction of anti β-Acyloxy Carboxamide Derivatives.","The Journal of organic chemistry","2016","81","19","8988","9005","10.1021/acs.joc.6b01635","","","0.71073","MoKα","","0.071","0.0573","","","0.1565","0.1733","","","","","","1.08","","","","has coordinates","235742","2020-10-21","18:00:00",""
"4037166","8.62184","0.00014","15.212","0.0003","16.4772","0.0002","90","","90","","90","","2161.07","0.06","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C23 H19 N O5 S2 -","- C23 H19 N O5 S2 -","- C92 H76 N4 O20 S8 -","4","1","","Jiao, Lihui; Bu, Liwei; Ye, Xinyi; Zhao, Xiaowei; Jiang, Zhiyong","Catalytic Asymmetric Conjugate Addition and Sulfenylation of Diarylthiazolidin-2,4-diones.","The Journal of organic chemistry","2016","81","20","9620","9629","10.1021/acs.joc.6b01637","","x-ray","1.54184","CuKα","","0.0381","0.0348","","","0.0886","0.0913","","","","","","1.033","","","","has coordinates","235744","2020-10-21","18:00:00",""
"4037167","8.6723","0.0002","16.0081","0.0004","16.3709","0.0003","90","","90","","90","","2272.72","0.09","291","2","291.15","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C24 H20 N2 O5 S -","- C24 H20 N2 O5 S -","- C96 H80 N8 O20 S4 -","4","1","","Jiao, Lihui; Bu, Liwei; Ye, Xinyi; Zhao, Xiaowei; Jiang, Zhiyong","Catalytic Asymmetric Conjugate Addition and Sulfenylation of Diarylthiazolidin-2,4-diones.","The Journal of organic chemistry","2016","81","20","9620","9629","10.1021/acs.joc.6b01637","","","1.54184","CuKα","","0.0447","0.0378","","","0.0914","0.0958","","","","","","1.017","","","","has coordinates","235745","2020-10-21","18:00:00",""
"4037168","12.5052","0.0008","11.2594","0.0006","17.0731","0.0009","90","","102.914","0.002","90","","2343.1","0.2","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C27 H18 N2 O4 S2 -","- C27 H18 N2 O4 S2 -","- C108 H72 N8 O16 S8 -","4","1","","Saravanan, Velu; Mageshwaran, Thiyagarajan; Mohanakrishnan, Arasambattu K.","Synthesis of Cyclo[b]fused Carbazoles via SnCl4-Mediated Domino Reaction of 2-Indolylmethylpivalates with Arenes and Heteroarenes.","The Journal of organic chemistry","2016","81","18","8633","8646","10.1021/acs.joc.6b01646","","","0.71073","MoKα","","0.084","0.0549","","","0.1359","0.1628","","","","","","1.081","","","","has coordinates","235748","2020-10-21","18:00:00",""
"4037169","23.3663","0.0014","15.2047","0.001","34.53","0.003","90","","90","","90","","12267.7","1.5","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C42 H25 N O4 S -","- C42 H25 N O4 S -","- C672 H400 N16 O64 S16 -","16","2","","Saravanan, Velu; Mageshwaran, Thiyagarajan; Mohanakrishnan, Arasambattu K.","Synthesis of Cyclo[b]fused Carbazoles via SnCl4-Mediated Domino Reaction of 2-Indolylmethylpivalates with Arenes and Heteroarenes.","The Journal of organic chemistry","2016","81","18","8633","8646","10.1021/acs.joc.6b01646","","","0.71073","MoKα","","0.114","0.0618","","","0.1124","0.1427","","","","","","1.228","","","","has coordinates,has disorder","287876","2023-11-30","07:26:55",""
"4037170","12.1347","0.0005","12.0708","0.0005","17.6391","0.0007","90","","108.617","0.002","90","","2448.5","0.18","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C30 H18 N2 O5 S -","- C30 H18 N2 O5 S -","- C120 H72 N8 O20 S4 -","4","1","","Saravanan, Velu; Mageshwaran, Thiyagarajan; Mohanakrishnan, Arasambattu K.","Synthesis of Cyclo[b]fused Carbazoles via SnCl4-Mediated Domino Reaction of 2-Indolylmethylpivalates with Arenes and Heteroarenes.","The Journal of organic chemistry","2016","81","18","8633","8646","10.1021/acs.joc.6b01646","","","0.71073","MoKα","","0.0779","0.0425","","","0.1066","0.1312","","","","","","1.046","","","","has coordinates,has disorder","235751","2020-10-21","18:00:00",""
"4037171","14.2395","0.0014","17.3295","0.0017","18.5476","0.0018","74","0.003","68.894","0.003","76.175","0.003","4054.3","0.7","200","2","200","2","","","","","","","","4","P -1","-P 1","2","","","","- C44 H52 N4 Si2 -","- C44 H52 N4 Si2 -","- C176 H208 N16 Si8 -","4","2","","Hahn, Sebastian; Geyer, Florian L.; Koser, Silke; Tverskoy, Olena; Rominger, Frank; Bunz, Uwe H. F.","Bent N-Heteroarenes.","The Journal of organic chemistry","2016","81","18","8485","8494","10.1021/acs.joc.6b01654","","","0.71073","MoKα","","0.1926","0.1186","","","0.2852","0.3145","","","","","","1.601","","","","has coordinates","235755","2020-10-21","18:00:00",""
"4037172","7.634","0.003","14.662","0.005","17.126","0.006","87.278","0.007","84.165","0.009","82.636","0.008","1890.1","1.2","200","2","200","2","","","","","","","","4","P -1","-P 1","2","","","","- C42 H52 N2 Si2 -","- C42 H52 N2 Si2 -","- C84 H104 N4 Si4 -","2","1","","Hahn, Sebastian; Geyer, Florian L.; Koser, Silke; Tverskoy, Olena; Rominger, Frank; Bunz, Uwe H. F.","Bent N-Heteroarenes.","The Journal of organic chemistry","2016","81","18","8485","8494","10.1021/acs.joc.6b01654","","","0.71073","MoKα","","0.1288","0.0723","","","0.1675","0.1925","","","","","","1.111","","","","has coordinates","235755","2020-10-21","18:00:00",""
"4037173","36.272","0.008","7.413","0.0016","29.889","0.007","90","","94.279","0.005","90","","8014","3","200","2","200","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C46 H54 N2 Si2 -","- C46 H54 N2 Si2 -","- C368 H432 N16 Si16 -","8","1","","Hahn, Sebastian; Geyer, Florian L.; Koser, Silke; Tverskoy, Olena; Rominger, Frank; Bunz, Uwe H. F.","Bent N-Heteroarenes.","The Journal of organic chemistry","2016","81","18","8485","8494","10.1021/acs.joc.6b01654","","","0.71073","MoKα","","0.088","0.0514","","","0.113","0.128","","","","","","1.019","","","","has coordinates","235755","2020-10-21","18:00:00",""
"4037174","13.744","0.012","17.701","0.015","19.206","0.016","104.207","0.019","90.814","0.017","97.893","0.019","4481","7","200","2","200","2","","","","","","","","4","P -1","-P 1","2","","","","- C50 H56 N2 Si2 -","- C50 H56 N2 Si2 -","- C200 H224 N8 Si8 -","4","2","","Hahn, Sebastian; Geyer, Florian L.; Koser, Silke; Tverskoy, Olena; Rominger, Frank; Bunz, Uwe H. F.","Bent N-Heteroarenes.","The Journal of organic chemistry","2016","81","18","8485","8494","10.1021/acs.joc.6b01654","","","0.71073","MoKα","","0.2939","0.2307","","","0.5188","0.5534","","","","","","1.127","","","","has coordinates","235755","2020-10-21","18:00:00",""
"4037175","8.241","0.003","14.201","0.005","17.856","0.006","68.71","0.008","80.696","0.008","74.394","0.008","1870.5","1.1","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C42 H50 N4 S Si2 -","- C42 H50 N4 S Si2 -","- C84 H100 N8 S2 Si4 -","2","1","","Hahn, Sebastian; Geyer, Florian L.; Koser, Silke; Tverskoy, Olena; Rominger, Frank; Bunz, Uwe H. F.","Bent N-Heteroarenes.","The Journal of organic chemistry","2016","81","18","8485","8494","10.1021/acs.joc.6b01654","","","0.71073","MoKα","","0.1658","0.0838","","","0.1517","0.1893","","","","","","1.053","","","","has coordinates,has disorder","235755","2020-10-21","18:00:00",""
"4037176","17.83","0.002","19.068","0.002","13.5277","0.0016","90","","92.34","0.004","90","","4595.3","0.9","200","2","200","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C51 H61 N4 Si2 -","- C51 H61 N4 Si2 -","- C204 H244 N16 Si8 -","4","1","","Hahn, Sebastian; Geyer, Florian L.; Koser, Silke; Tverskoy, Olena; Rominger, Frank; Bunz, Uwe H. F.","Bent N-Heteroarenes.","The Journal of organic chemistry","2016","81","18","8485","8494","10.1021/acs.joc.6b01654","","","0.71073","MoKα","","0.1384","0.0677","","","0.1685","0.2035","","","","","","1.015","","","","has coordinates","235755","2020-10-21","18:00:00",""
"4037177","8.8801","0.001","18.143","0.002","21.186","0.003","90","","96.813","0.002","90","","3389.2","0.7","200","2","200","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C37 H50 N2 Si2 -","- C37 H50 N2 Si2 -","- C148 H200 N8 Si8 -","4","1","","Hahn, Sebastian; Geyer, Florian L.; Koser, Silke; Tverskoy, Olena; Rominger, Frank; Bunz, Uwe H. F.","Bent N-Heteroarenes.","The Journal of organic chemistry","2016","81","18","8485","8494","10.1021/acs.joc.6b01654","","","0.71073","MoKα","","0.0829","0.0557","","","0.1103","0.1278","","","","","","1.045","","","","has coordinates","235755","2020-10-21","18:00:00",""
"4037178","17.38","0.009","8.062","0.004","27.836","0.013","90","","104.082","0.011","90","","3783","3","200","2","200","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C41 H52 N2 Si2 -","- C41 H52 N2 Si2 -","- C164 H208 N8 Si8 -","4","1","","Hahn, Sebastian; Geyer, Florian L.; Koser, Silke; Tverskoy, Olena; Rominger, Frank; Bunz, Uwe H. F.","Bent N-Heteroarenes.","The Journal of organic chemistry","2016","81","18","8485","8494","10.1021/acs.joc.6b01654","","","0.71073","MoKα","","0.1246","0.0777","","","0.1928","0.2227","","","","","","1.043","","","","has coordinates","235755","2020-10-21","18:00:00",""
"4037179","7.369","0.004","12.752","0.007","37.432","0.019","90","","91.497","0.014","90","","3516","3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C37 H48 N4 S Si2 -","- C37 H48 N4 S Si2 -","- C148 H192 N16 S4 Si8 -","4","1","","Hahn, Sebastian; Geyer, Florian L.; Koser, Silke; Tverskoy, Olena; Rominger, Frank; Bunz, Uwe H. F.","Bent N-Heteroarenes.","The Journal of organic chemistry","2016","81","18","8485","8494","10.1021/acs.joc.6b01654","","","0.71073","MoKα","","0.2248","0.1467","","","0.3441","0.3972","","","","","","1.104","","","","has coordinates,has disorder","235755","2020-10-21","18:00:00",""
"4037180","21.051","0.005","12.709","0.003","21.176","0.005","90","","95.281","0.004","90","","5641","2","100","2","100","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C24 H19 N3 O2 -","- C24 H19 N3 O2 -","- C288 H228 N36 O24 -","12","3","","Cai, Qun; Li, Deng-Kui; Zhou, Rong-Rong; Zhuang, Shi-Yi; Ma, Jin-Tian; Wu, Yan-Dong; Wu, An-Xin","Acid-Catalyzed Multicomponent Tandem Double Cyclization: A One-pot, Metal-free Route to Synthesize Polyfunctional 4,9-Dihydropyrrolo[2,1-b]quinazolines.","The Journal of organic chemistry","2016","81","17","8104","8111","10.1021/acs.joc.6b01660","","","0.71073","MoKα","","0.0722","0.0512","","","0.1151","0.1265","","","","","","1.007","","","","has coordinates","235757","2020-10-21","18:00:00",""
"4037181","7.67729","0.00019","11.606","0.0003","18.358","0.0004","90","","98.515","0.002","90","","1617.72","0.07","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C22 H15 N3 -","- C22 H15 N3 -","- C88 H60 N12 -","4","1","","Galenko, Ekaterina E.; Galenko, Alexey V.; Khlebnikov, Alexander F.; Novikov, Mikhail S.; Shakirova, Julia R.","Synthesis and Intramolecular Azo Coupling of 4-Diazopyrrole-2-carboxylates: Selective Approach to Benzo and Hetero [c]-Fused 6H-Pyrrolo[3,4-c]pyridazine-5-carboxylates.","The Journal of organic chemistry","2016","81","18","8495","8507","10.1021/acs.joc.6b01662","","x-ray","1.54184","CuKα","","0.0412","0.0377","","","0.0991","0.1032","","","","","","1.015","","","","has coordinates","235759","2020-10-21","18:00:00",""
"4037182","15.056","0.005","18.465","0.006","14.884","0.007","90","","113.188","0.005","90","","3804","3","223","2","223","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C22 H17 F3 N2 O2 -","- C22 H17 F3 N2 O2 -","- C176 H136 F24 N16 O16 -","8","1","","Zheng, Danqing; Liu, Tong; Liu, Xia; Fan, Xiaona; Wu, Jie","Route for the Generation of Trifluoromethyl-Substituted Pyrrplo[3,2-c]quinolines.","The Journal of organic chemistry","2016","81","19","9428","9432","10.1021/acs.joc.6b01669","","","0.71073","MoKα","","0.113","0.0552","","","0.1573","0.1895","","","","","","0.994","","","","has coordinates","235761","2020-10-21","18:00:00",""
"4037183","9.9929","0.0002","13.6834","0.0003","14.2187","0.0004","91.33","0.001","101.921","0.001","106.706","0.001","1814.91","0.08","296","2","296","2","","","","","","","","3","P -1","-P 1","2","","","","- C23 H17 N3 -","- C23 H17 N3 -","- C92 H68 N12 -","4","2","","Chan, Chieh-Kai; Chan, Yi-Ling; Tsai, Yu-Lin; Chang, Meng-Yang","One-Pot Synthesis of 2-Cyano-1,4-diketones: Applications to Synthesis of Cyanosubstituted Furans, Pyrroles, and Dihydropyridazines.","The Journal of organic chemistry","2016","81","17","8112","8120","10.1021/acs.joc.6b01672","","","0.71073","MoKα","","0.0651","0.0411","","","0.1204","0.1484","","","","","","1.122","","","","has coordinates","235763","2020-10-21","18:00:00",""
"4037184","7.9748","0.0003","8.509","0.0004","13.9508","0.0006","78.351","0.001","78.914","0.001","75.957","0.001","889.17","0.07","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C25 H17 N O2 -","- C25 H17 N O2 -","- C50 H34 N2 O4 -","2","1","","Chan, Chieh-Kai; Chan, Yi-Ling; Tsai, Yu-Lin; Chang, Meng-Yang","One-Pot Synthesis of 2-Cyano-1,4-diketones: Applications to Synthesis of Cyanosubstituted Furans, Pyrroles, and Dihydropyridazines.","The Journal of organic chemistry","2016","81","17","8112","8120","10.1021/acs.joc.6b01672","","","0.71073","MoKα","","0.0401","0.0348","","","0.0917","0.0959","","","","","","1.072","","","","has coordinates","235764","2020-10-21","18:00:00",""
"4037185","27.1","0.004","7.4176","0.0012","6.8847","0.0011","90","","97.264","0.004","90","","1372.8","0.4","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H11 F2 N3 -","- C17 H11 F2 N3 -","- C68 H44 F8 N12 -","4","1","","Chan, Chieh-Kai; Chan, Yi-Ling; Tsai, Yu-Lin; Chang, Meng-Yang","One-Pot Synthesis of 2-Cyano-1,4-diketones: Applications to Synthesis of Cyanosubstituted Furans, Pyrroles, and Dihydropyridazines.","The Journal of organic chemistry","2016","81","17","8112","8120","10.1021/acs.joc.6b01672","","","0.71073","MoKα","","0.1825","0.1715","","","0.466","0.4718","","","","","","1.091","","","","has coordinates","235766","2020-10-21","18:00:00",""
"4037186","26.157","0.002","7.4363","0.0005","6.8127","0.0005","90","","96.808","0.004","90","","1315.8","0.17","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C17 H13 N3 -","- C17 H13 N3 -","- C68 H52 N12 -","4","1","","Chan, Chieh-Kai; Chan, Yi-Ling; Tsai, Yu-Lin; Chang, Meng-Yang","One-Pot Synthesis of 2-Cyano-1,4-diketones: Applications to Synthesis of Cyanosubstituted Furans, Pyrroles, and Dihydropyridazines.","The Journal of organic chemistry","2016","81","17","8112","8120","10.1021/acs.joc.6b01672","","","0.71073","MoKα","","0.0715","0.0464","","","0.1145","0.1457","","","","","","1.09","","","","has coordinates","235767","2020-10-21","18:00:00",""
"4037187","8.6878","0.0005","11.5528","0.0007","13.1521","0.001","90.495","0.006","109.012","0.006","99.53","0.005","1228.05","0.15","170","","170","","","","","","","","","6","P -1","-P 1","2","","","","- C28 H22 F3 N3 O2 S -","- C28 H22 F3 N3 O2 S -","- C56 H44 F6 N6 O4 S2 -","2","1","","Li, Zhenmin; Zhou, Xiaorong; Lu, Ping; Wang, Yanguang","Preparation of 3-Aryl-2-aminoindoles via Rhodium-Catalyzed Coupling Reaction between 2-Arylpyridines and 3-Diazoindolin-2-imines.","The Journal of organic chemistry","2016","81","19","9433","9437","10.1021/acs.joc.6b01678","","","0.71073","MoKα","","0.0697","0.0548","","","0.131","0.1448","","","","","","1.043","","","","has coordinates","235769","2020-10-21","18:00:00",""
"4037188","20.393","0.0013","23.8095","0.0014","10.623","0.0006","90","","90","","90","","5158","0.5","293","2","293","2","","","","","","","","4","P 21 21 2","P 2 2ab","18","","Ethyl 4-(1-benzyl-1H-tetrazol-5-yl)-1-cyclohexyl-3-methylene-5-phenylpyrrolidine-2-carboxylate","","- C28 H33 N5 O2 -","- C28 H33 N5 O2 -","- C224 H264 N40 O16 -","8","2","","Cardoso, Ana L.; Henriques, Marta S. C.; Paixão, José A; Pinho E Melo, Teresa M V D","(1H-Tetrazol-5-yl)-Allenes: Building Blocks for Tetrazolyl Heterocycles.","The Journal of organic chemistry","2016","81","19","9028","9036","10.1021/acs.joc.6b01679","","","0.71073","MoKα","","0.1935","0.0626","","","0.1256","0.1713","","","","","","0.965","","","","has coordinates","235771","2020-10-21","18:00:00",""
"4037189","12.093","0.0003","21.491","0.0004","38.198","0.001","90","","90","","90","","9927.3","0.4","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","1:1[α/α-Nα-Bn-hydrazino] ester (S/R)","","- C22 H35 N3 O5 -","- C22 H35 N3 O5 -","- C352 H560 N48 O80 -","16","4","","Romero, Eugénie; Moussodia, Ralph-Olivier; Kriznik, Alexandre; Wenger, Emmanuel; Acherar, Samir; Jamart-Grégoire, Brigitte","Spontaneous Self-Assembly of Fully Protected Ester 1:1 [α/α-N<sup>α</sup>-Bn-hydrazino] Pseudodipeptides into a Twisted Parallel β-Sheet in the Crystal State.","The Journal of organic chemistry","2016","81","19","9037","9045","10.1021/acs.joc.6b01680","","","1.5418","CuKα","","0.1349","0.0692","","","0.1453","0.1787","","","","","","1.003","","","","has coordinates","255262","2020-10-21","18:00:00",""
"4037190","12.1588","0.0002","21.3462","0.0006","38.1695","0.0005","90","","90","","90","","9906.7","0.3","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","1:1[α/α-Nα-Bn-hydrazino] ester (R/R)","","- C22 H35 N3 O5 -","- C22 H35 N3 O5 -","- C352 H560 N48 O80 -","16","4","","Romero, Eugénie; Moussodia, Ralph-Olivier; Kriznik, Alexandre; Wenger, Emmanuel; Acherar, Samir; Jamart-Grégoire, Brigitte","Spontaneous Self-Assembly of Fully Protected Ester 1:1 [α/α-N<sup>α</sup>-Bn-hydrazino] Pseudodipeptides into a Twisted Parallel β-Sheet in the Crystal State.","The Journal of organic chemistry","2016","81","19","9037","9045","10.1021/acs.joc.6b01680","","","1.54184","CuKα","","0.1991","0.1704","","","0.4484","0.4841","","","","","","1.846","","","","has coordinates","255262","2020-10-21","18:00:00",""
"4037191","12.159","0.0002","21.391","0.0004","38.188","0.0004","90","","90","","90","","9932.4","0.3","110","2","110","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","1:1[α/α-Nα-Bn-hydrazino] ester (R/S)","","- C22 H35 N3 O5 -","- C22 H35 N3 O5 -","- C352 H560 N48 O80 -","16","4","","Romero, Eugénie; Moussodia, Ralph-Olivier; Kriznik, Alexandre; Wenger, Emmanuel; Acherar, Samir; Jamart-Grégoire, Brigitte","Spontaneous Self-Assembly of Fully Protected Ester 1:1 [α/α-N<sup>α</sup>-Bn-hydrazino] Pseudodipeptides into a Twisted Parallel β-Sheet in the Crystal State.","The Journal of organic chemistry","2016","81","19","9037","9045","10.1021/acs.joc.6b01680","","x-ray","1.54184","CuKα","","0.1308","0.0956","","","0.2498","0.28","","","","","","1.047","","","","has coordinates","255262","2020-10-21","18:00:00",""
"4037192","12.284","","21.276","","38.207","","90","","90","","90","","9985.57","","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","1:1[α/α-Nα-Bn-hydrazino] ester (S/S)","","- C22 H35 N3 O5 -","- C22 H35 N3 O5 -","- C352 H560 N48 O80 -","16","4","","Romero, Eugénie; Moussodia, Ralph-Olivier; Kriznik, Alexandre; Wenger, Emmanuel; Acherar, Samir; Jamart-Grégoire, Brigitte","Spontaneous Self-Assembly of Fully Protected Ester 1:1 [α/α-N<sup>α</sup>-Bn-hydrazino] Pseudodipeptides into a Twisted Parallel β-Sheet in the Crystal State.","The Journal of organic chemistry","2016","81","19","9037","9045","10.1021/acs.joc.6b01680","","","0.71073","MoKα","","0.1324","0.1214","","","0.3325","0.355","","","","","","1.534","","","","has coordinates","255262","2020-10-21","18:00:00",""
"4037193","20.0572","0.0001","20.0572","0.0001","26.9244","0.0001","90","","90","","120","","9380.31","0.07","173","2","173","2","","","","","","","","4","P 65","P 65","170","","","","- C60 H75 N2 O6 -","- C60 H75 N2 O6 -","- C360 H450 N12 O36 -","6","1","","Xu, Wen-Qiang; Liu, Wen-Shan; Yan, Jiu-Xing; Ma, Shi-Kun; Guo, Jing; Liu, Jun-Min; Wang, Run-Ling; Li, Shao-Yong","An Approach to Optically Pure Bridging Chiral p-tert-Butylcalix[4]arenes through a Homologous Anionic Ortho-Fries Rearrangement.","The Journal of organic chemistry","2016","81","22","10683","10687","10.1021/acs.joc.6b01682","","","1.54178","CuKα","","0.0422","0.041","","","0.1158","0.1172","","","","","","1.043","","","","has coordinates,has disorder","235781","2020-10-21","18:00:00",""
"4037194","11.2573","0.0005","11.5352","0.0005","15.1073","0.0006","76.412","0.004","87.183","0.004","80.002","0.004","1877.82","0.14","100","1","100","1","","","","","","","","4","P -1","-P 1","2","HA-364-1","2-Benzyl 6-methyl (1R,4S,6S)-6-((2-isobutoxy-6-isobutylphenyl)carbamoyl)- 5-(4-methoxyphenethyl)-2-azabicyclo[2.2.2]oct-7-ene-2,6-dicarboxylate","","- C41 H50 N2 O7 -","- C41 H50 N2 O7 -","- C82 H100 N4 O14 -","2","1","","Abas, Hossay; Frampton, Christopher S.; Spivey, Alan C.","Diels-Alder Reactions of α-Amido Acrylates with N-Cbz-1,2-dihydropyridine and Cyclopentadiene.","The Journal of organic chemistry","2016","81","20","9947","9956","10.1021/acs.joc.6b01684","","","1.54184","CuKα","","0.0866","0.0763","","","0.2127","0.2231","","","","","","1.011","","","","has coordinates","235783","2020-10-21","18:00:00",""
"4037195","13.613","0.002","17.506","0.005","17.927","0.005","108.335","0.012","101.007","0.004","90.798","0.004","3968.1","1.7","93","2","93","2","","","","","","","","7","P -1","-P 1","2","","","","- C86 H98 B2 Cl F8 N5 O4 -","- C86 H98 B2 Cl F8 N5 O4 -","- C172 H196 B4 Cl2 F16 N10 O8 -","2","1","","Yamakado, Ryohei; Sato, Ryuma; Shigeta, Yasuteru; Maeda, Hiromitsu","Ion-Pairing Crystal Polymorphs of Interlocked [2 + 1]-Type Receptor-Anion Complexes.","The Journal of organic chemistry","2016","81","18","8530","8536","10.1021/acs.joc.6b01688","","","1.54187","CuKα","","0.0343","0.0305","","","0.0825","0.0841","","","","","","1.061","","","","has coordinates,has disorder","275195","2022-05-07","02:58:26",""
"4037196","16.0367","0.0018","18.5146","0.0019","27.063","0.003","90","","92.969","0.004","90","","8024.6","1.5","93","2","93","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C86 H98 B2 Cl F8 N5 O4 -","- C86 H98 B2 Cl F8 N5 O4 -","- C344 H392 B8 Cl4 F32 N20 O16 -","4","1","","Yamakado, Ryohei; Sato, Ryuma; Shigeta, Yasuteru; Maeda, Hiromitsu","Ion-Pairing Crystal Polymorphs of Interlocked [2 + 1]-Type Receptor-Anion Complexes.","The Journal of organic chemistry","2016","81","18","8530","8536","10.1021/acs.joc.6b01688","","","1.54187","CuKα","","0.0398","0.034","","","0.1188","0.1252","","","","","","1.071","","","","has coordinates","275195","2022-05-07","02:58:26",""
"4037197","9.1382","0.0005","11.9472","0.0006","11.4848","0.0007","90","","97.094","0.006","90","","1244.26","0.12","173","","173","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H13 N O2 -","- C16 H13 N O2 -","- C64 H52 N4 O8 -","4","1","","Xia, Changkun; White, Andrew J. P.; Hii, King Kuok Mimi","Synthesis of Isoindolinones by Pd-Catalyzed Coupling between N-Methoxybenzamide and Styrene Derivatives.","The Journal of organic chemistry","2016","81","17","7931","7938","10.1021/acs.joc.6b01696","","","0.71073","MoKα","","0.0548","0.0389","","","0.0866","0.0954","","","","","","1.039","","","","has coordinates","235787","2020-10-21","18:00:00",""
"4037198","8.5662","0.0004","10.7642","0.0006","14.3417","0.0007","90","","90","","90","","1322.42","0.12","173","","173","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H15 N O2 -","- C16 H15 N O2 -","- C64 H60 N4 O8 -","4","1","","Xia, Changkun; White, Andrew J. P.; Hii, King Kuok Mimi","Synthesis of Isoindolinones by Pd-Catalyzed Coupling between N-Methoxybenzamide and Styrene Derivatives.","The Journal of organic chemistry","2016","81","17","7931","7938","10.1021/acs.joc.6b01696","","","0.71073","MoKα","","0.0445","0.0368","","","0.0735","0.0785","","","","","","1.084","","","","has coordinates","235787","2020-10-21","18:00:00",""
"4037199","12.6365","0.0008","8.5132","0.0004","12.1579","0.0008","90","","116.664","0.008","90","","1168.82","0.15","173","","173","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H13 N O -","- C15 H13 N O -","- C60 H52 N4 O4 -","4","1","","Xia, Changkun; White, Andrew J. P.; Hii, King Kuok Mimi","Synthesis of Isoindolinones by Pd-Catalyzed Coupling between N-Methoxybenzamide and Styrene Derivatives.","The Journal of organic chemistry","2016","81","17","7931","7938","10.1021/acs.joc.6b01696","","","0.71073","MoKα","","0.0644","0.0462","","","0.0987","0.111","","","","","","1.063","","","","has coordinates","235787","2020-10-21","18:00:00",""
"4037200","8.7384","0.0005","12.1279","0.0007","20.746","0.0011","90","","90","","90","","2198.6","0.2","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C24 H26 Br N O3 -","- C24 H26 Br N O3 -","- C96 H104 Br4 N4 O12 -","4","1","","Yang, Yang; Ma, Chaoqun; Thumar, Nilesh J.; Hu, Wenhao","Pd(II)/β-ICD-Cocatalyzed Asymmetric Route to Oxindole Scaffold via Cascade Reaction of Diazoacetamides and MBH-Carbonates.","The Journal of organic chemistry","2016","81","18","8537","8543","10.1021/acs.joc.6b01703","","","0.71073","MoKα","","0.0525","0.0359","","","0.0678","0.0745","","","","","","1.021","","","","has coordinates","235790","2020-10-21","18:00:00",""
"4037201","9.4241","0.0003","10.3964","0.0003","10.5946","0.0003","68.361","0.001","78.531","0.001","83.62","0.001","944.79","0.05","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C21 H20 Br N O3 -","- C21 H20 Br N O3 -","- C42 H40 Br2 N2 O6 -","2","1","","Yang, Yang; Ma, Chaoqun; Thumar, Nilesh J.; Hu, Wenhao","Pd(II)/β-ICD-Cocatalyzed Asymmetric Route to Oxindole Scaffold via Cascade Reaction of Diazoacetamides and MBH-Carbonates.","The Journal of organic chemistry","2016","81","18","8537","8543","10.1021/acs.joc.6b01703","","","0.71073","MoKα","","0.0433","0.0355","","","0.0977","0.1032","","","","","","1.052","","","","has coordinates","235792","2020-10-21","18:00:00",""
"4037202","9.49728","0.00011","21.3932","0.0002","6.35861","0.00009","90","","90","","90","","1291.92","0.03","110","2","110","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C10 H16 N4 O4 -","- C10 H16 N4 O4 -","- C40 H64 N16 O16 -","4","1","","Nourian, Saghar; Zilber, Zachary A.; Toscano, John P.","Development of N-Substituted Hydroxamic Acids with Pyrazolone Leaving Groups as Nitrosocarbonyl Precursors.","The Journal of organic chemistry","2016","81","19","9138","9146","10.1021/acs.joc.6b01705","","","1.54178","CuKα","","0.0289","0.0283","","","0.0757","0.0763","","","","","","1.046","","","","has coordinates","235794","2020-10-21","18:00:00",""
"4037203","9.44384","0.00014","6.72231","0.00009","10.34284","0.00017","90","","96.4986","0.0014","90","","652.39","0.017","110","2","110","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C10 H16 N4 O5 -","- C10 H16 N4 O5 -","- C20 H32 N8 O10 -","2","1","","Nourian, Saghar; Zilber, Zachary A.; Toscano, John P.","Development of N-Substituted Hydroxamic Acids with Pyrazolone Leaving Groups as Nitrosocarbonyl Precursors.","The Journal of organic chemistry","2016","81","19","9138","9146","10.1021/acs.joc.6b01705","","","1.54178","CuKα","","0.0259","0.0251","","","0.0648","0.0657","","","","","","1.052","","","","has coordinates","235795","2020-10-21","18:00:00",""
"4037204","12.2766","0.0002","11.1657","0.0003","12.4961","0.0003","90","","99.727","0.002","90","","1688.3","0.07","110","2","110","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H20 N4 O5 -","- C15 H20 N4 O5 -","- C60 H80 N16 O20 -","4","1","","Nourian, Saghar; Zilber, Zachary A.; Toscano, John P.","Development of N-Substituted Hydroxamic Acids with Pyrazolone Leaving Groups as Nitrosocarbonyl Precursors.","The Journal of organic chemistry","2016","81","19","9138","9146","10.1021/acs.joc.6b01705","","","0.71073","MoKα","","0.0509","0.0437","","","0.1157","0.1199","","","","","","1.07","","","","has coordinates","235797","2020-10-21","18:00:00",""
"4037205","10.805","0.0003","11.4659","0.0003","13.3709","0.0004","111.885","0.003","90.695","0.002","93.75","0.002","1532.65","0.08","110","2","110","2","","","","","","","","4","P -1","-P 1","2","","","","- C14 H18 N4 O3 -","- C14 H18 N4 O3 -","- C56 H72 N16 O12 -","4","2","","Nourian, Saghar; Zilber, Zachary A.; Toscano, John P.","Development of N-Substituted Hydroxamic Acids with Pyrazolone Leaving Groups as Nitrosocarbonyl Precursors.","The Journal of organic chemistry","2016","81","19","9138","9146","10.1021/acs.joc.6b01705","","","1.54178","CuKα","","0.047","0.0404","","","0.1071","0.1125","","","","","","1.042","","","","has coordinates","235798","2020-10-21","18:00:00",""
"4037206","14.0313","0.0008","8.1798","0.0003","24.203","0.0013","90","","104.913","0.004","90","","2684.3","0.2","210","2","210","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","17,18-diacetyl-3,4,7,8,11,12-hexahydro-2,20:13,16-dietheno- 6,9-benzodioxacyclooctadecine-5,10-dione","","- C30 H30 O7 -","- C28 H26 O6 -","- C112 H104 O24 -","4","1","","Wessig, Pablo; Czarnecki, Maciej; Badetko, Dominik; Schilde, Uwe; Kelling, Alexandra","Photochemical Synthesis of Both Strained and Macrocyclic (1,7)Naphthalenophanes.","The Journal of organic chemistry","2016","81","19","9147","9157","10.1021/acs.joc.6b01707","","","0.71073","MoKα","","0.0488","0.0381","","","0.1028","0.1076","","","","","","1.035","","","","has coordinates,has disorder","235800","2020-10-21","18:00:00",""
"4037207","8.552","0.0012","28.963","0.004","12.2072","0.0018","90","","109.547","0.002","90","","2849.4","0.7","203","2","203","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C35 H36 N2 O4 -","- C35 H36 N2 O4 -","- C140 H144 N8 O16 -","4","1","","Tang, Zhongzhong; Liu, Zhiqiang; An, Yu; Jiang, Ruolan; Zhang, Xinglu; Li, Chunju; Jia, Xueshun; Li, Jian","Isocyanide-Based Multicomponent Bicyclization with Substituted Allenoate and Isatin: Synthesis of Unusual Spirooxindole Containing [5.5]-Fused Heterocycle.","The Journal of organic chemistry","2016","81","19","9158","9166","10.1021/acs.joc.6b01711","","","0.71073","MoKα","","0.0791","0.0579","","","0.1694","0.1891","","","","","","1.03","","","","has coordinates","235802","2020-10-21","18:00:00",""
"4037208","12.126","0.01","5.863","0.005","24.164","0.019","90","","103.359","0.013","90","","1671","2","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H15 Cl N2 S -","- C20 H15 Cl N2 S -","- C80 H60 Cl4 N8 S4 -","4","1","","Ravi, Chitrakar; Reddy, N. Naresh Kumar; Pappula, Venkatanarayana; Samanta, Supravat; Adimurthy, Subbarayappa","Copper-Catalyzed Three-Component System for Arylsulfenylation of Imidazopyridines with Elemental Sulfur.","The Journal of organic chemistry","2016","81","20","9964","9972","10.1021/acs.joc.6b01715","","","0.71073","MoKα","","0.1208","0.089","","","0.1788","0.1906","","","","","","1.179","","","","has coordinates","235803","2020-10-21","18:00:00",""
"4037209","5.8776","0.0009","16.487","0.003","21.673","0.004","90","","90","0.003","90","","2100.2","0.6","93","2","93","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C23 H22 Fe N2 O4 S -","- C23 H22 Fe N2 O4 S -","- C92 H88 Fe4 N8 O16 S4 -","4","1","","Matsuda, Yukiko; Koizumi, Akihiro; Haraguchi, Ryosuke; Fukuzawa, Shin-Ichi","Ligand-Controlled Stereodivergent, Enantioselective Conjugate Addition of 2-Oxazoline- and 2-Thiazoline-4-carboxylate to Nitroalkene Catalyzed by Chiral Copper Complexes.","The Journal of organic chemistry","2016","81","17","7939","7944","10.1021/acs.joc.6b01722","","","0.71075","MoKα","","0.05","0.0457","","","0.0977","0.1009","","","","","","1.042","","","","has coordinates,has disorder","235805","2020-10-21","18:00:00",""
"4037210","10.261","0.002","9.2285","0.0018","11.932","0.003","90","","112.594","0.003","90","","1043.2","0.4","93","2","93","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C23 H22 Fe N2 O4 S -","- C23 H22 Fe N2 O4 S -","- C46 H44 Fe2 N4 O8 S2 -","2","1","","Matsuda, Yukiko; Koizumi, Akihiro; Haraguchi, Ryosuke; Fukuzawa, Shin-Ichi","Ligand-Controlled Stereodivergent, Enantioselective Conjugate Addition of 2-Oxazoline- and 2-Thiazoline-4-carboxylate to Nitroalkene Catalyzed by Chiral Copper Complexes.","The Journal of organic chemistry","2016","81","17","7939","7944","10.1021/acs.joc.6b01722","","","0.71075","MoKα","","0.037","0.0302","","","0.0662","0.0682","","","","","","0.996","","","","has coordinates","235806","2020-10-21","18:00:00",""
"4037211","18.17","0.017","4.534","0.004","19.969","0.018","90","","90","","90","","1645","3","296","2","296","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C22 H16 N2 O -","- C22 H16 N2 O -","- C88 H64 N8 O4 -","4","1","","Huang, Zhi-You; Yang, Jing-Fang; Song, Ke; Chen, Qian; Zhou, Shao-Lin; Hao, Ge-Fei; Yang, Guang-Fu","One-Pot Approach to N-Quinolyl 3'/4'-Biaryl Carboxamides by Microwave-Assisted Suzuki-Miyaura Coupling and N-Boc Deprotection.","The Journal of organic chemistry","2016","81","20","9647","9657","10.1021/acs.joc.6b01725","","","0.71073","MoKα","","0.1047","0.0685","","","0.1883","0.2385","","","","","","1.051","","","","has coordinates","235808","2020-10-21","18:00:00",""
"4037212","7.361","0.002","7.922","0.002","15.443","0.005","93.97","0.03","103.51","0.03","107.9","0.03","823.5","0.5","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C22 H16 N2 -","- C22 H16 N2 -","- C44 H32 N4 -","2","1","","Pigulski, Bartłomiej; Arendt, Agata; Tomilin, Denis N.; Sobenina, Lyubov N.; Trofimov, Boris A.; Szafert, Sławomir","Transition-Metal Free Mechanochemical Approach to Polyyne Substituted Pyrroles.","The Journal of organic chemistry","2016","81","19","9188","9198","10.1021/acs.joc.6b01732","","","0.71073","MoKα","","0.1078","0.0607","","","0.1444","0.1626","","","","","","0.898","","","","has coordinates,has disorder","235811","2020-10-21","18:00:00",""
"4037213","7.011","0.002","8.377","0.002","15.363","0.005","100.03","0.03","94.52","0.03","105.83","0.03","847.2","0.5","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C22 H16 N2 O2 -","- C22 H16 N2 O2 -","- C44 H32 N4 O4 -","2","1","","Pigulski, Bartłomiej; Arendt, Agata; Tomilin, Denis N.; Sobenina, Lyubov N.; Trofimov, Boris A.; Szafert, Sławomir","Transition-Metal Free Mechanochemical Approach to Polyyne Substituted Pyrroles.","The Journal of organic chemistry","2016","81","19","9188","9198","10.1021/acs.joc.6b01732","","","0.71073","MoKα","","0.1948","0.0749","","","0.1454","0.1759","","","","","","0.846","","","","has coordinates","235811","2020-10-21","18:00:00",""
"4037214","19.946","0.006","13.024","0.004","18.084","0.006","90","","120.95","0.03","90","","4029","3","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C27 H20 N2 O2 -","- C27 H20 N2 O2 -","- C216 H160 N16 O16 -","8","1","","Pigulski, Bartłomiej; Arendt, Agata; Tomilin, Denis N.; Sobenina, Lyubov N.; Trofimov, Boris A.; Szafert, Sławomir","Transition-Metal Free Mechanochemical Approach to Polyyne Substituted Pyrroles.","The Journal of organic chemistry","2016","81","19","9188","9198","10.1021/acs.joc.6b01732","","","0.71073","MoKα","","0.0529","0.0442","","","0.1239","0.1288","","","","","","1.107","","","","has coordinates","235811","2020-10-21","18:00:00",""
"4037215","7.284","0.002","9.238","0.003","14.084","0.005","97.6","0.03","91.2","0.03","109.8","0.04","881.6","0.5","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C24 H19 N O -","- C24 H19 N O -","- C48 H38 N2 O2 -","2","1","","Pigulski, Bartłomiej; Arendt, Agata; Tomilin, Denis N.; Sobenina, Lyubov N.; Trofimov, Boris A.; Szafert, Sławomir","Transition-Metal Free Mechanochemical Approach to Polyyne Substituted Pyrroles.","The Journal of organic chemistry","2016","81","19","9188","9198","10.1021/acs.joc.6b01732","","","1.5418","CuKα","","0.1731","0.0748","","","0.1437","0.1582","","","","","","0.934","","","","has coordinates","235811","2020-10-21","18:00:00",""
"4037216","7.668","0.003","11.842","0.004","13.298","0.005","92.89","0.03","93.77","0.03","104.73","0.04","1162.5","0.8","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C30 H25 N O2 -","- C30 H25 N O2 -","- C60 H50 N2 O4 -","2","1","","Pigulski, Bartłomiej; Arendt, Agata; Tomilin, Denis N.; Sobenina, Lyubov N.; Trofimov, Boris A.; Szafert, Sławomir","Transition-Metal Free Mechanochemical Approach to Polyyne Substituted Pyrroles.","The Journal of organic chemistry","2016","81","19","9188","9198","10.1021/acs.joc.6b01732","","","0.71073","MoKα","","0.1013","0.0717","","","0.1797","0.2112","","","","","","1.026","","","","has coordinates,has disorder","235811","2020-10-21","18:00:00",""
"4037217","15.996","0.005","6.903","0.002","17.091","0.006","90","","105.9","0.03","90","","1815","1","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H16 N2 O2 -","- C24 H16 N2 O2 -","- C96 H64 N8 O8 -","4","1","","Pigulski, Bartłomiej; Arendt, Agata; Tomilin, Denis N.; Sobenina, Lyubov N.; Trofimov, Boris A.; Szafert, Sławomir","Transition-Metal Free Mechanochemical Approach to Polyyne Substituted Pyrroles.","The Journal of organic chemistry","2016","81","19","9188","9198","10.1021/acs.joc.6b01732","","","1.5418","CuKα","","0.099","0.067","","","0.17","0.1847","","","","","","0.884","","","","has coordinates","235811","2020-10-21","18:00:00",""
"4037218","11.106","0.0005","10.7491","0.0005","23.3289","0.0011","90","","90","","90","","2785","0.2","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C14 H19 N O4 -","- C14 H19 N O4 -","- C112 H152 N8 O32 -","8","1","","Rit, Raja K.; Ghosh, Koushik; Mandal, Rajib; Sahoo, Akhila K.","Ruthenium-Catalyzed Intramolecular Hydroarylation of Arenes and Mechanistic Study: Synthesis of Dihydrobenzofurans, Indolines, and Chromans.","The Journal of organic chemistry","2016","81","18","8552","8560","10.1021/acs.joc.6b01734","","","0.71073","MoKα","","0.0401","0.0377","","","0.1016","0.1038","","","","","","1.053","","","","has coordinates","235814","2020-10-21","18:00:00",""
"4037219","10.6905","0.0012","7.8348","0.0009","11.618","0.0013","90","","102.791","0.002","90","","948.95","0.19","273","2","273","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C20 H25 N O4 -","- C20 H25 N O4 -","- C40 H50 N2 O8 -","2","1","","Wang, Yu; Jiang, Chen-Min; Li, Hong-Liang; He, Fu-Sheng; Luo, Xiaoyan; Deng, Wei-Ping","Regioselective Iodine-Catalyzed Construction of Polysubstituted Pyrroles from Allenes and Enamines.","The Journal of organic chemistry","2016","81","18","8653","8658","10.1021/acs.joc.6b01737","","","0.71073","MoKα","","0.0489","0.0354","","","0.0878","0.0963","","","","","","1.047","","","","has coordinates","235815","2020-10-21","18:00:00",""
"4037220","8.962","0.009","7.654","0.007","11.568","0.012","90","","101.058","0.009","90","","778.8","1.3","294","2","294","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C15 H11 Br N O5 S -","- C15 H11 Br N O5 S -","- C30 H22 Br2 N2 O10 S2 -","2","1","","Jia, Chun-Man; Zhang, Heng-Xia; Nie, Jing; Ma, Jun-An","Catalytic Asymmetric Decarboxylative Mannich Reaction of Malonic Acid Half Esters with Cyclic Aldimines: Access to Chiral β-Amino Esters and Chroman-4-amines.","The Journal of organic chemistry","2016","81","18","8561","8569","10.1021/acs.joc.6b01750","","","0.71073","MoKα","","0.0984","0.0897","","","0.2725","0.2784","","","","","","1.096","","","","has coordinates","235817","2020-10-21","18:00:00",""
"4037221","7.2107","0.0007","14.9108","0.0014","16.2218","0.0015","115.006","0.004","90.24","0.004","100.357","0.004","1548.6","0.3","159","2","159.14","","","","","","","","","4","P -1","-P 1","2","","","","- C18 H18 N2 O3 -","- C18 H18 N2 O3 -","- C72 H72 N8 O12 -","4","2","","Rathore, Vandana; Sattar, Moh; Kumar, Raushan; Kumar, Sangit","Synthesis of Unsymmetrical Diaryl Acetamides, Benzofurans, Benzophenones, and Xanthenes by Transition-Metal-Free Oxidative Cross-Coupling of sp<sup>3</sup> and sp<sup>2</sup> C-H Bonds.","The Journal of organic chemistry","2016","81","19","9206","9218","10.1021/acs.joc.6b01771","","","0.71073","MoKα","","0.0967","0.0776","","","0.2056","0.2206","","","","","","1.0717","","","","has coordinates","235819","2020-10-21","18:00:00",""
"4037222","8.6317","0.0007","14.0216","0.0016","16.5617","0.0018","90","","96.618","0.003","90","","1991.1","0.4","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H23 N3 O5 -","- C20 H23 N3 O5 -","- C80 H92 N12 O20 -","4","1","","Rathore, Vandana; Sattar, Moh; Kumar, Raushan; Kumar, Sangit","Synthesis of Unsymmetrical Diaryl Acetamides, Benzofurans, Benzophenones, and Xanthenes by Transition-Metal-Free Oxidative Cross-Coupling of sp<sup>3</sup> and sp<sup>2</sup> C-H Bonds.","The Journal of organic chemistry","2016","81","19","9206","9218","10.1021/acs.joc.6b01771","","x-ray","0.71073","MoKα","","0.0909","0.0488","","","0.1087","0.1266","","","","","","1.021","","","","has coordinates","235820","2020-10-21","18:00:00",""
"4037223","9.1126","0.0007","10.0605","0.0007","22.4378","0.0017","90","","92.334","0.003","90","","2055.3","0.3","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C21 H23 F3 N2 O3 -","- C21 H23 F3 N2 O3 -","- C84 H92 F12 N8 O12 -","4","1","","Rathore, Vandana; Sattar, Moh; Kumar, Raushan; Kumar, Sangit","Synthesis of Unsymmetrical Diaryl Acetamides, Benzofurans, Benzophenones, and Xanthenes by Transition-Metal-Free Oxidative Cross-Coupling of sp<sup>3</sup> and sp<sup>2</sup> C-H Bonds.","The Journal of organic chemistry","2016","81","19","9206","9218","10.1021/acs.joc.6b01771","","x-ray","0.71073","MoKα","","0.1544","0.1131","","","0.3168","0.3446","","","","","","1.172","","","","has coordinates","235822","2020-10-21","18:00:00",""
"4037224","8.5362","0.0007","16.2261","0.0012","14.2507","0.0012","90","","90.684","0.003","90","","1973.7","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H22 Cl N2 O2 -","- C20 H22 Cl N2 O2 -","- C80 H88 Cl4 N8 O8 -","4","1","","Rathore, Vandana; Sattar, Moh; Kumar, Raushan; Kumar, Sangit","Synthesis of Unsymmetrical Diaryl Acetamides, Benzofurans, Benzophenones, and Xanthenes by Transition-Metal-Free Oxidative Cross-Coupling of sp<sup>3</sup> and sp<sup>2</sup> C-H Bonds.","The Journal of organic chemistry","2016","81","19","9206","9218","10.1021/acs.joc.6b01771","","","0.71073","MoKα","","0.1895","0.0767","","","0.1595","0.1948","","","","","","1.0964","","","","has coordinates,has disorder","235823","2020-10-21","18:00:00",""
"4037225","8.4093","0.0005","15.7964","0.001","14.3323","0.0009","90","","93.2","0.003","90","","1900.9","0.2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H22 F N2 O2 -","- C20 H22 F N2 O2 -","- C80 H88 F4 N8 O8 -","4","1","","Rathore, Vandana; Sattar, Moh; Kumar, Raushan; Kumar, Sangit","Synthesis of Unsymmetrical Diaryl Acetamides, Benzofurans, Benzophenones, and Xanthenes by Transition-Metal-Free Oxidative Cross-Coupling of sp<sup>3</sup> and sp<sup>2</sup> C-H Bonds.","The Journal of organic chemistry","2016","81","19","9206","9218","10.1021/acs.joc.6b01771","","","0.71073","MoKα","","0.1408","0.0649","","","0.137","0.1647","","","","","","1.0603","","","","has coordinates,has disorder","235825","2020-10-21","18:00:00",""
"4037226","14.1543","0.0006","10.7829","0.0005","27.2987","0.0011","90","","103.799","0.001","90","","4046.2","0.3","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H25 Cl N2 O2 -","- C22 H25 Cl N2 O2 -","- C176 H200 Cl8 N16 O16 -","8","2","","Rathore, Vandana; Sattar, Moh; Kumar, Raushan; Kumar, Sangit","Synthesis of Unsymmetrical Diaryl Acetamides, Benzofurans, Benzophenones, and Xanthenes by Transition-Metal-Free Oxidative Cross-Coupling of sp<sup>3</sup> and sp<sup>2</sup> C-H Bonds.","The Journal of organic chemistry","2016","81","19","9206","9218","10.1021/acs.joc.6b01771","","","0.71073","MoKα","","0.0585","0.044","","","0.1325","0.1448","","","","","","0.992","","","","has coordinates","254431","2020-10-21","18:00:00",""
"4037227","6.0753","0.0002","8.4967","0.0004","25.3797","0.0012","90","","90","","90","","1310.1","0.1","291","2","291","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C13 H12 Br Cl N2 -","- C13 H12 Br Cl N2 -","- C52 H48 Br4 Cl4 N8 -","4","1","","Abudu Rexit, Abulikemu; Luo, Shiwei; Mailikezati, Maihemuti","Chiral Phosphoric Acid-Catalyzed Enantioselective Reductive Amination of 2-Pyridyl Ketones: Construction of Structurally Chiral Pyridine-Based Ligands.","The Journal of organic chemistry","2016","81","22","11384","11388","10.1021/acs.joc.6b01772","","","0.71073","MoKα","","0.0617","0.0375","","","0.0651","0.0738","","","","","","1.064","","","","has coordinates","235829","2020-10-21","18:00:00",""
"4037228","14.4232","0.0008","10.4715","0.0007","17.3666","0.0013","90","","90","","90","","2622.9","0.3","293","2","293","2","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- C18 H15 N -","- C18 H15 N -","- C144 H120 N8 -","8","2","","Yang, Ziqi; Lu, Ning; Wei, Zhonglin; Cao, Jungang; Liang, Dapeng; Duan, Haifeng; Lin, Yingjie","Base-Promoted Intermolecular Cyclization of Substituted 3-Aryl(Heteroaryl)-3-chloroacrylaldehydes and Tetrahydroisoquinolines: An Approach to Access Pyrrolo[2,1-a]isoquinolines.","The Journal of organic chemistry","2016","81","23","11950","11955","10.1021/acs.joc.6b01781","","","0.71073","MoKα","","0.0519","0.0364","","","0.0891","0.0987","","","","","","1.055","","","","has coordinates,has disorder","235831","2020-10-21","18:00:00",""
"4037229","8.307","0.005","10.097","0.006","11.253","0.007","74.012","0.014","77.182","0.013","70.798","0.014","847.9","0.9","297","1","297","1","","","","","","","","3","P -1","-P 1","2","","3-phenyl-1-(piperidin-1-yl)octahydroindolizine","","- C19 H28 N2 -","- C19 H28 N2 -","- C38 H56 N4 -","2","1","","Albaladejo, María José; González-Soria, María José; Alonso, Francisco","Synthesis of Aminoindolizidines through the Chemoselective and Diastereoselective Catalytic Hydrogenation of Indolizines.","The Journal of organic chemistry","2016","81","20","9707","9717","10.1021/acs.joc.6b01782","","","0.71073","MoKα","","0.0909","0.05","","","0.113","0.1341","","","","","","1.026","","","","has coordinates","235833","2020-10-21","18:00:00",""
"4037230","16.4628","0.0012","6.9001","0.0005","18.9585","0.0019","90","","111.283","0.004","90","","2006.7","0.3","100","2","100","2","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","","","- C24 H25.5 Cl1.5 O -","- C24 H26.5 Cl1.5 O -","- C96 H106 Cl6 O4 -","4","1","","Ye, Qun; Zhang, Zhen; Png, Zhuang Mao; Neo, Wei Teng; Lin, Tingting; Zeng, Huining; Xu, Hui; Xu, Jianwei","Cyclization of Tetraaryl-Substituted Benzoquinones and Hydroquinones through the Scholl Reaction.","The Journal of organic chemistry","2016","81","19","9219","9226","10.1021/acs.joc.6b01785","","","1.54178","CuKα","","0.1929","0.0995","","","0.2515","0.2823","","","","","","1.026","","","","has coordinates,has disorder","235835","2020-10-21","18:00:00",""
"4037231","11.133","0.003","12.927","0.003","25.645","0.006","90","","90","","90","","3690.7","1.6","273","2","273","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C41 H43 N O7 S -","- C41 H43 N O7 S -","- C164 H172 N4 O28 S4 -","4","1","","Harit, Vimal Kant; Ramesh, Namakkal G.","A Chiron Approach to Diversity-Oriented Synthesis of Aminocyclitols, (-)-Conduramine F-4 and Polyhydroxyaminoazepanes from a Common Precursor.","The Journal of organic chemistry","2016","81","23","11574","11586","10.1021/acs.joc.6b01790","","","0.71073","MoKα","","0.1134","0.0636","","","0.091","0.1032","","","","","","1.029","","","","has coordinates","235836","2020-10-21","18:00:00",""
"4037232","9.2191","0.0003","6.1121","0.0002","16.3411","0.0006","90","","90.496","0.002","90","","920.75","0.05","100","1","100","1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C19 H24 N2 O6 -","- C19 H24 N2 O6 -","- C38 H48 N4 O12 -","2","1","","Kassir, Ahmad F.; Ragab, Sherif S.; Nguyen, Thao A. M.; Charnay-Pouget, Florence; Guillot, Régis; Scherrmann, Marie-Christine; Boddaert, Thomas; Aitken, David J.","Synthetic Access to All Four Stereoisomers of Oxetin.","The Journal of organic chemistry","2016","81","20","9983","9991","10.1021/acs.joc.6b01795","","x-ray","1.54178","CuKα","","0.0694","0.0534","","","0.102","0.1081","","","","","","1.048","","","","has coordinates","235838","2020-10-21","18:00:00",""
"4037233","7.1423","0.0003","10.4505","0.0005","25.2828","0.0011","90","","90","","90","","1887.12","0.15","100","1","100","1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C19 H24 N2 O6 -","- C19 H24 N2 O6 -","- C76 H96 N8 O24 -","4","1","","Kassir, Ahmad F.; Ragab, Sherif S.; Nguyen, Thao A. M.; Charnay-Pouget, Florence; Guillot, Régis; Scherrmann, Marie-Christine; Boddaert, Thomas; Aitken, David J.","Synthetic Access to All Four Stereoisomers of Oxetin.","The Journal of organic chemistry","2016","81","20","9983","9991","10.1021/acs.joc.6b01795","","x-ray","0.71073","MoKα","","0.0392","0.0347","","","0.0811","0.0832","","","","","","1.056","","","","has coordinates","235839","2020-10-21","18:00:00",""
"4037234","12.359","0.002","9.5073","0.0015","18.697","0.003","90","","105.044","0.003","90","","2121.6","0.6","123","","123","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C21 H27 Cl2 N Pt -","- C21 H27 Cl2 N Pt -","- C84 H108 Cl8 N4 Pt4 -","4","2","","Igawa, Kazunobu; Machida, Kouhei; Noguchi, Kyouhei; Uehara, Kazuhiro; Tomooka, Katsuhiko","Synthesis and Stereochemical Analysis of Planar-Chiral (E)-4-[7]Orthocyclophene.","The Journal of organic chemistry","2016","81","23","11587","11593","10.1021/acs.joc.6b01799","","","0.71075","MoKα","","0.0375","0.0295","","","0.0591","0.061","","","","","","0.748","","","","has coordinates","235841","2020-10-21","18:00:00",""
"4037235","12.232","0.005","8.022","0.005","35.84","0.005","90","0.005","90","0.005","90","0.005","3517","3","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C19 H14 O2 S3 -","- C19 H14 O2 S3 -","- C152 H112 O16 S24 -","8","1","","Koley, Suvajit; Chanda, Tanmoy; Samai, Subhasis; Singh, Maya Shankar","Switching Selectivity of α-Enolic Dithioesters: One Pot Access to Functionalized 1,2- and 1,3-Dithioles.","The Journal of organic chemistry","2016","81","23","11594","11602","10.1021/acs.joc.6b01802","","","0.71073","MoKα","","0.2886","0.084","","","0.1516","0.2472","","","","","","0.904","","","","has coordinates","235844","2020-10-21","18:00:00",""
"4037236","7.5233","0.0011","13.4451","0.0014","10.8452","0.0012","90","","104.929","0.013","90","","1060","0.2","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C10 H8 O S3 -","- C10 H8 O S3 -","- C40 H32 O4 S12 -","4","1","","Koley, Suvajit; Chanda, Tanmoy; Samai, Subhasis; Singh, Maya Shankar","Switching Selectivity of α-Enolic Dithioesters: One Pot Access to Functionalized 1,2- and 1,3-Dithioles.","The Journal of organic chemistry","2016","81","23","11594","11602","10.1021/acs.joc.6b01802","","","0.71073","MoKα","","0.1166","0.0827","","","0.2057","0.2298","","","","","","1.036","","","","has coordinates","235845","2020-10-21","18:00:00",""
"4037237","8.804","0.001","21.251","0.004","17.142","0.004","90","","117.382","0.011","90","","2847.8","1","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","3,4,5-triaryl-benzonitrile","4-(2,4-Dimethoxyphen-1-yl)-5-(4-methoxyphen-1-yl) -3-methylsulfanyl-6-(naphthalen-1-yl)benzo-2-carbonitrile","","- C34 H29 N O3 S -","- C34 H29 N O3 S -","- C136 H116 N4 O12 S4 -","4","1","","Goel, Atul; Kumar, Vijay; Hemberger, Yasmin; Singh, Fateh V.; Nag, Pankaj; Knauer, Michael; Kant, Ruchir; Raghunandan, Resmi; Maulik, Prakas Ranjan; Bringmann, Gerhard","Rotationally Hindered Biphenyls and Terphenyls: Synthesis, Molecular Dynamics, and Configurational Assignment.","The Journal of organic chemistry","2016","81","22","10721","10732","10.1021/acs.joc.6b01804","","","0.71073","MoKα","","0.1438","0.0679","","","0.1673","0.1997","","","","","","1.051","","","","has coordinates","235847","2020-10-21","18:00:00",""
"4037238","10.933","0.005","19.878","0.008","9.767","0.004","90","","97.907","0.006","90","","2102.4","1.5","296","","296","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C23 H17 Cl2 N3 O S -","- C23 H17 Cl2 N3 O S -","- C92 H68 Cl8 N12 O4 S4 -","4","1","","Reddy, Chennakesava; Bisht, Narendra; Parella, Ramarao; Babu, Srinivasarao Arulananda","4-Amino-2,1,3-benzothiadiazole as a Removable Bidentate Directing Group for the Pd(II)-Catalyzed Arylation/Oxygenation of sp<sup>2</sup>/sp<sup>3</sup> β-C-H Bonds of Carboxamides.","The Journal of organic chemistry","2016","81","24","12143","12168","10.1021/acs.joc.6b01831","","","0.71073","MoKα","","0.1083","0.0871","","","0.274","0.295","","","","","","1.098","","","","has coordinates","235849","2020-10-21","18:00:00",""
"4037239","10.5783","0.0018","11.7721","0.0014","16.068","0.003","90","","104.864","0.007","90","","1934","0.5","293","","293","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C22 H17 N3 O3 S -","- C22 H17 N3 O3 S -","- C88 H68 N12 O12 S4 -","4","1","","Reddy, Chennakesava; Bisht, Narendra; Parella, Ramarao; Babu, Srinivasarao Arulananda","4-Amino-2,1,3-benzothiadiazole as a Removable Bidentate Directing Group for the Pd(II)-Catalyzed Arylation/Oxygenation of sp<sup>2</sup>/sp<sup>3</sup> β-C-H Bonds of Carboxamides.","The Journal of organic chemistry","2016","81","24","12143","12168","10.1021/acs.joc.6b01831","","","0.71075","MoKα","","0.1582","0.0731","","","0.1681","0.2138","","","","","","1.03","","","","has coordinates","235851","2020-10-21","18:00:00",""
"4037240","17.92","0.007","6.022","0.002","15.745","0.006","90","","99.297","0.006","90","","1676.8","1.1","98","","98","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C21 H18 N2 O2 -","- C21 H18 N2 O2 -","- C84 H72 N8 O8 -","4","1","","Marichev, Kostiantyn O.; Qiu, Huang; Offield, Austin C.; Arman, Hadi; Doyle, Michael P.","Catalyst-Free Rearrangement of Allenyl Aryldiazoacetates into 1,5-Dihydro-4H-pyrazol-4-ones.","The Journal of organic chemistry","2016","81","19","9235","9246","10.1021/acs.joc.6b01833","","","0.71073","MoKα","","0.1161","0.0785","","","0.1501","0.1761","","","","","","1.015","","","","has coordinates","235853","2020-10-21","18:00:00",""
"4037241","6.727","0.009","23.55","0.03","9.86","0.013","90","","90","","90","","1562","4","98","","98","","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C20 H18 N2 O -","- C20 H18 N2 O -","- C80 H72 N8 O4 -","4","1","","Marichev, Kostiantyn O.; Qiu, Huang; Offield, Austin C.; Arman, Hadi; Doyle, Michael P.","Catalyst-Free Rearrangement of Allenyl Aryldiazoacetates into 1,5-Dihydro-4H-pyrazol-4-ones.","The Journal of organic chemistry","2016","81","19","9235","9246","10.1021/acs.joc.6b01833","","","0.71075","MoKα","","0.1259","0.09","","","0.1652","0.1984","","","","","","1.039","","","","has coordinates","235854","2020-10-21","18:00:00",""
"4037242","7.832","0.004","10.744","0.005","12.557","0.006","112.171","0.006","97.626","0.007","105.108","0.006","912.6","0.8","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C21 H20 F N O3 -","- C21 H20 F N O3 -","- C42 H40 F2 N2 O6 -","2","1","","Zhou, Quan; Zhang, Jing-Fan; Cao, Hui; Zhong, Rui; Hou, Xiu-Feng","Synthesis of o-Alkenylated 2-Arylbenzoxazoles via Rh-Catalyzed Oxidative Olefination of 2-Arylbenzoxazoles: Scope Investigation, Structural Features, and Mechanism Studies.","The Journal of organic chemistry","2016","81","24","12169","12180","10.1021/acs.joc.6b01836","","","0.71073","MoKα","","0.1064","0.0601","","","0.143","0.1586","","","","","","0.902","","","","has coordinates","235856","2020-10-21","18:00:00",""
"4037243","8.567","0.005","11.294","0.006","11.868","0.006","87.148","0.007","80.145","0.006","81.838","0.007","1119.5","1","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","","","- C25 H29 N O3 -","- C25 H29 N O3 -","- C50 H58 N2 O6 -","2","1","","Zhou, Quan; Zhang, Jing-Fan; Cao, Hui; Zhong, Rui; Hou, Xiu-Feng","Synthesis of o-Alkenylated 2-Arylbenzoxazoles via Rh-Catalyzed Oxidative Olefination of 2-Arylbenzoxazoles: Scope Investigation, Structural Features, and Mechanism Studies.","The Journal of organic chemistry","2016","81","24","12169","12180","10.1021/acs.joc.6b01836","","","0.71073","MoKα","","0.1135","0.089","","","0.2439","0.2627","","","","","","0.954","","","","has coordinates,has disorder","235856","2020-10-21","18:00:00",""
"4037244","9.181","0.009","11.85","0.011","14.065","0.013","100.841","0.016","93.205","0.016","101.852","0.016","1464","2","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C32 H39 N O5 -","- C32 H39 N O5 -","- C64 H78 N2 O10 -","2","1","","Zhou, Quan; Zhang, Jing-Fan; Cao, Hui; Zhong, Rui; Hou, Xiu-Feng","Synthesis of o-Alkenylated 2-Arylbenzoxazoles via Rh-Catalyzed Oxidative Olefination of 2-Arylbenzoxazoles: Scope Investigation, Structural Features, and Mechanism Studies.","The Journal of organic chemistry","2016","81","24","12169","12180","10.1021/acs.joc.6b01836","","","0.71073","MoKα","","0.1583","0.0798","","","0.2334","0.3205","","","","","","0.975","","","","has coordinates,has disorder","235856","2020-10-21","18:00:00",""
"4037245","12.985","0.007","4.03","0.002","32.768","0.017","90","","90.063","0.007","90","","1714.7","1.5","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C23 H19 N O -","- C23 H19 N O -","- C92 H76 N4 O4 -","4","1","","Zhou, Quan; Zhang, Jing-Fan; Cao, Hui; Zhong, Rui; Hou, Xiu-Feng","Synthesis of o-Alkenylated 2-Arylbenzoxazoles via Rh-Catalyzed Oxidative Olefination of 2-Arylbenzoxazoles: Scope Investigation, Structural Features, and Mechanism Studies.","The Journal of organic chemistry","2016","81","24","12169","12180","10.1021/acs.joc.6b01836","","","0.71073","MoKα","","0.1032","0.0605","","","0.1319","0.1477","","","","","","0.91","","","","has coordinates","235856","2020-10-21","18:00:00",""
"4037246","19.146","0.014","7.452","0.006","12.716","0.009","90","","104.661","0.015","90","","1755","2","296","2","296","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C17 H25 N O2 Si -","- C17 H25 N O2 Si -","- C68 H100 N4 O8 Si4 -","4","1","","Huang, Jing-Kai; Wong, Ying-Chieh; Kao, Tzu-Ting; Tseng, Chen-Tso; Shia, Kak-Shan","Cobalt(II)-Catalyzed Aerobic Oxidation of Terminal-Capped Alkynyl α-Cyano Alkanone Systems. An Oxygen-Mediated Radical Chain Reaction.","The Journal of organic chemistry","2016","81","22","10759","10768","10.1021/acs.joc.6b01837","","","0.71073","MoKα","","0.1056","0.0564","","","0.0922","0.1075","","","","","","1.032","","","","has coordinates","235858","2020-10-21","18:00:00",""
"4037247","19.901","0.011","9.308","0.005","10.561","0.006","90","","102.818","0.015","90","","1907.6","1.8","200","2","200","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H23 N O4 -","- C22 H23 N O4 -","- C88 H92 N4 O16 -","4","1","","Huang, Jing-Kai; Wong, Ying-Chieh; Kao, Tzu-Ting; Tseng, Chen-Tso; Shia, Kak-Shan","Cobalt(II)-Catalyzed Aerobic Oxidation of Terminal-Capped Alkynyl α-Cyano Alkanone Systems. An Oxygen-Mediated Radical Chain Reaction.","The Journal of organic chemistry","2016","81","22","10759","10768","10.1021/acs.joc.6b01837","","","0.71073","MoKα","","0.2104","0.0972","","","0.217","0.2853","","","","","","0.967","","","","has coordinates","235860","2020-10-21","18:00:00",""
"4037248","7.1377","0.001","12.326","0.0018","18.63","0.003","90","","94.224","0.009","90","","1634.6","0.4","200","2","200","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C16 H23 N O2 Si -","- C16 H23 N O2 Si -","- C64 H92 N4 O8 Si4 -","4","1","","Huang, Jing-Kai; Wong, Ying-Chieh; Kao, Tzu-Ting; Tseng, Chen-Tso; Shia, Kak-Shan","Cobalt(II)-Catalyzed Aerobic Oxidation of Terminal-Capped Alkynyl α-Cyano Alkanone Systems. An Oxygen-Mediated Radical Chain Reaction.","The Journal of organic chemistry","2016","81","22","10759","10768","10.1021/acs.joc.6b01837","","","0.71073","MoKα","","0.1242","0.0815","","","0.183","0.2029","","","","","","1.079","","","","has coordinates","235861","2020-10-21","18:00:00",""
"4037249","26.426","0.012","26.426","0.012","7.039","0.004","90","","90","","120","","4257","4","200","2","200","2","","","","","","","","5","R 3 :H","R 3","146","","","","- C20 H23 N O2 Si -","- C20 H23 N O2 Si -","- C180 H207 N9 O18 Si9 -","9","1","","Huang, Jing-Kai; Wong, Ying-Chieh; Kao, Tzu-Ting; Tseng, Chen-Tso; Shia, Kak-Shan","Cobalt(II)-Catalyzed Aerobic Oxidation of Terminal-Capped Alkynyl α-Cyano Alkanone Systems. An Oxygen-Mediated Radical Chain Reaction.","The Journal of organic chemistry","2016","81","22","10759","10768","10.1021/acs.joc.6b01837","","","0.71073","MoKα","","0.2455","0.0744","","","0.0799","0.1087","","","","","","0.968","","","","has coordinates","235862","2020-10-21","18:00:00",""
"4037250","11.211","0.01","12.349","0.011","12.562","0.011","109.016","0.018","90.043","0.017","101.568","0.017","1607","2","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H23 N O2 Si -","- C16 H23 N O2 Si -","- C64 H92 N4 O8 Si4 -","4","2","","Huang, Jing-Kai; Wong, Ying-Chieh; Kao, Tzu-Ting; Tseng, Chen-Tso; Shia, Kak-Shan","Cobalt(II)-Catalyzed Aerobic Oxidation of Terminal-Capped Alkynyl α-Cyano Alkanone Systems. An Oxygen-Mediated Radical Chain Reaction.","The Journal of organic chemistry","2016","81","22","10759","10768","10.1021/acs.joc.6b01837","","","0.71073","MoKα","","0.1585","0.1046","","","0.2574","0.2993","","","","","","1.003","","","","has coordinates","235864","2020-10-21","18:00:00",""
"4037251","17.6278","0.001","8.0278","0.0005","12.3398","0.0007","90","","104.078","0.004","90","","1693.79","0.17","200","2","200","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C17 H25 N O2 Si -","- C17 H25 N O2 Si -","- C68 H100 N4 O8 Si4 -","4","1","","Huang, Jing-Kai; Wong, Ying-Chieh; Kao, Tzu-Ting; Tseng, Chen-Tso; Shia, Kak-Shan","Cobalt(II)-Catalyzed Aerobic Oxidation of Terminal-Capped Alkynyl α-Cyano Alkanone Systems. An Oxygen-Mediated Radical Chain Reaction.","The Journal of organic chemistry","2016","81","22","10759","10768","10.1021/acs.joc.6b01837","","","0.71073","MoKα","","0.1083","0.0579","","","0.1027","0.1191","","","","","","0.993","","","","has coordinates","235865","2020-10-21","18:00:00",""
"4037252","7.729","0.015","7.756","0.014","12.5","0.03","88.7","0.07","77.13","0.08","87.28","0.07","730","3","200","2","200","2","","","","","","","","4","P -1","-P 1","2","","","","- C18 H14 N2 O2 -","- C18 H14 N2 O2 -","- C36 H28 N4 O4 -","2","1","","Huang, Jing-Kai; Wong, Ying-Chieh; Kao, Tzu-Ting; Tseng, Chen-Tso; Shia, Kak-Shan","Cobalt(II)-Catalyzed Aerobic Oxidation of Terminal-Capped Alkynyl α-Cyano Alkanone Systems. An Oxygen-Mediated Radical Chain Reaction.","The Journal of organic chemistry","2016","81","22","10759","10768","10.1021/acs.joc.6b01837","","","0.71073","MoKα","","0.2611","0.1106","","","0.2474","0.3285","","","","","","0.994","","","","has coordinates","235867","2020-10-21","18:00:00",""
"4037253","7.723","0.0003","21.791","0.001","10.8617","0.0004","90","","98.118","0.002","90","","1809.62","0.13","200","2","200","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C21 H23 N O3 -","- C21 H23 N O3 -","- C84 H92 N4 O12 -","4","1","","Huang, Jing-Kai; Wong, Ying-Chieh; Kao, Tzu-Ting; Tseng, Chen-Tso; Shia, Kak-Shan","Cobalt(II)-Catalyzed Aerobic Oxidation of Terminal-Capped Alkynyl α-Cyano Alkanone Systems. An Oxygen-Mediated Radical Chain Reaction.","The Journal of organic chemistry","2016","81","22","10759","10768","10.1021/acs.joc.6b01837","","","0.71073","MoKα","","0.0471","0.0381","","","0.0952","0.1009","","","","","","1.032","","","","has coordinates","235868","2020-10-21","18:00:00",""
"4037254","11.8937","0.0003","14.4166","0.0004","16.4236","0.0004","90","","95.369","0.001","90","","2803.75","0.13","100","","100","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C48.5 H70 F4 N8 O16.5 S4 -","- C48.5 H70 F4 N8 O16.5 S4 -","- C97 H140 F8 N16 O33 S8 -","2","1","","Dostie, Starr; Prévost, Michel; Mochirian, Philippe; Tanveer, Kashif; Andrella, Nicholas; Rostami, Ariana; Tambutet, Guillaume; Guindon, Yvan","Diastereoselective Synthesis of C2'-Fluorinated Nucleoside Analogues Using an Acyclic Approach.","The Journal of organic chemistry","2016","81","22","10769","10790","10.1021/acs.joc.6b01845","","x-ray","1.34139","GaKα","","0.0353","0.0347","","","0.0956","0.0964","","","","","","1.073","","","","has coordinates","235870","2020-10-21","18:00:00",""
"4037255","13.0925","0.0019","22.517","0.003","13.722","0.002","90","","111.181","0.005","90","","3772","0.9","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C22 H16 Cl N O3 S -","- C22 H16 Cl N O3 S -","- C176 H128 Cl8 N8 O24 S8 -","8","2","","Zhou, Nengneng; Yan, Zhongfei; Zhang, Honglin; Wu, Zhongkai; Zhu, Chengjian","Metal-Free Radical Oxidative Cyclization of o-Azidoaryl Acetylenic Ketones with Sulfinic Acids To Access Sulfone-Containing 4-Quinolones.","The Journal of organic chemistry","2016","81","24","12181","12188","10.1021/acs.joc.6b01847","","","0.71073","MoKα","","0.092","0.0528","","","0.1008","0.1145","","","","","","1.015","","","","has coordinates","235872","2020-10-21","18:00:00",""
"4037256","13.63","0.002","9.0742","0.0015","15.598","0.003","90","","100.758","0.004","90","","1895.3","0.6","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H22 N2 O3 S -","- C20 H22 N2 O3 S -","- C80 H88 N8 O12 S4 -","4","1","","Xu, Lanting; Tan, Lushi; Ma, Dawei","Iridium(III)-Catalyzed Regioselective C7-Amination of N-Pivaloylindoles with Sulfonoazides.","The Journal of organic chemistry","2016","81","21","10476","10483","10.1021/acs.joc.6b01856","","","0.71073","MoKα","","0.071","0.0498","","","0.1244","0.136","","","","","","1.054","","","","has coordinates","235874","2020-10-21","18:00:00",""
"4037257","8.497","0.002","23.827","0.006","14.555","0.004","90","","94.664","0.004","90","","2937","1.3","173","2","173","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","BillMilesDMA","","","- C19 H19 N -","- C19 H19 N -","- C152 H152 N8 -","8","2","","Miles, William H.; Robinson, Michael J.; Lessard, Samantha G.; Thamattoor, Dasan M.","Through-Space Shielding Effects of Metal-Complexed Phenyl Rings.","The Journal of organic chemistry","2016","81","22","10791","10801","10.1021/acs.joc.6b01858","","","0.71073","MoKα","","0.1473","0.0838","","","0.2127","0.2603","","","","","","1.032","","","","has coordinates","235877","2020-10-21","18:00:00",""
"4037258","27.495","0.003","7.3998","0.0008","16.2265","0.0017","90","","115.411","0.001","90","","2982","0.6","173","2","173","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","BillMilesMeEster","","","- C19 H16 O2 -","- C19 H16 O2 -","- C152 H128 O16 -","8","1","","Miles, William H.; Robinson, Michael J.; Lessard, Samantha G.; Thamattoor, Dasan M.","Through-Space Shielding Effects of Metal-Complexed Phenyl Rings.","The Journal of organic chemistry","2016","81","22","10791","10801","10.1021/acs.joc.6b01858","","","0.71073","MoKα","","0.0595","0.045","","","0.1185","0.1295","","","","","","1.063","","","","has coordinates","235877","2020-10-21","18:00:00",""
"4037259","12.083","0.0008","13.9337","0.0009","9.7612","0.0007","90","","101.046","0.001","90","","1612.96","0.19","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","MilesCrComplexH","","","- C20 H14 Cr O3 -","- C20 H14 Cr O3 -","- C80 H56 Cr4 O12 -","4","1","","Miles, William H.; Robinson, Michael J.; Lessard, Samantha G.; Thamattoor, Dasan M.","Through-Space Shielding Effects of Metal-Complexed Phenyl Rings.","The Journal of organic chemistry","2016","81","22","10791","10801","10.1021/acs.joc.6b01858","","","0.71073","MoKα","","0.032","0.0299","","","0.09","0.0924","","","","","","1.019","","","","has coordinates","235877","2020-10-21","18:00:00",""
"4037260","12.1879","0.001","12.2813","0.001","12.4334","0.001","74.124","0.001","73.675","0.001","75.917","0.001","1689.8","0.2","173","2","173","2","","","","","","","","4","P -1","-P 1","2","BillMilesCrComplex","","","- C21 H16 Cr O3 -","- C21 H16 Cr O3 -","- C84 H64 Cr4 O12 -","4","2","","Miles, William H.; Robinson, Michael J.; Lessard, Samantha G.; Thamattoor, Dasan M.","Through-Space Shielding Effects of Metal-Complexed Phenyl Rings.","The Journal of organic chemistry","2016","81","22","10791","10801","10.1021/acs.joc.6b01858","","","0.71073","MoKα","","0.0396","0.0365","","","0.1186","0.1257","","","","","","1.049","","","","has coordinates","235877","2020-10-21","18:00:00",""
"4037261","13.5083","0.001","7.7384","0.0006","16.8191","0.0013","90","","100.05","0.001","90","","1731.2","0.2","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","BillMilesOMe","","","- C21 H16 Cr O4 -","- C21 H16 Cr O4 -","- C84 H64 Cr4 O16 -","4","1","","Miles, William H.; Robinson, Michael J.; Lessard, Samantha G.; Thamattoor, Dasan M.","Through-Space Shielding Effects of Metal-Complexed Phenyl Rings.","The Journal of organic chemistry","2016","81","22","10791","10801","10.1021/acs.joc.6b01858","","","0.71073","MoKα","","0.0354","0.0331","","","0.0948","0.0972","","","","","","1.048","","","","has coordinates","235877","2020-10-21","18:00:00",""
"4037262","9.5858","0.0007","13.9734","0.001","12.3111","0.0009","90","","105.275","0.001","90","","1590.8","0.2","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","MilesCrComplexF","","","- C20 H13 Cr F O3 -","- C20 H13 Cr F O3 -","- C80 H52 Cr4 F4 O12 -","4","1","","Miles, William H.; Robinson, Michael J.; Lessard, Samantha G.; Thamattoor, Dasan M.","Through-Space Shielding Effects of Metal-Complexed Phenyl Rings.","The Journal of organic chemistry","2016","81","22","10791","10801","10.1021/acs.joc.6b01858","","","0.71073","MoKα","","0.0359","0.0337","","","0.1132","0.1182","","","","","","1.04","","","","has coordinates","235877","2020-10-21","18:00:00",""
"4037263","9.278","0.005","18.516","0.009","13.957","0.007","90","","129.035","0.004","90","","1862.4","1.6","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","BillMIlesDMAcomplexCr","","","- C22 H19 Cr N O3 -","- C22 H19 Cr N O3 -","- C88 H76 Cr4 N4 O12 -","4","1","","Miles, William H.; Robinson, Michael J.; Lessard, Samantha G.; Thamattoor, Dasan M.","Through-Space Shielding Effects of Metal-Complexed Phenyl Rings.","The Journal of organic chemistry","2016","81","22","10791","10801","10.1021/acs.joc.6b01858","","","0.71073","MoKα","","0.1131","0.0707","","","0.1683","0.1968","","","","","","1.085","","","","has coordinates","235877","2020-10-21","18:00:00",""
"4037264","15.6716","0.0011","7.4384","0.0005","16.5885","0.0012","90","","107.183","0.001","90","","1847.4","0.2","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","BillMilesCrEster","","","- C22 H16 Cr O5 -","- C22 H16 Cr O5 -","- C88 H64 Cr4 O20 -","4","1","","Miles, William H.; Robinson, Michael J.; Lessard, Samantha G.; Thamattoor, Dasan M.","Through-Space Shielding Effects of Metal-Complexed Phenyl Rings.","The Journal of organic chemistry","2016","81","22","10791","10801","10.1021/acs.joc.6b01858","","","0.71073","MoKα","","0.0548","0.0411","","","0.1056","0.1172","","","","","","1.022","","","","has coordinates","235877","2020-10-21","18:00:00",""
"4037265","11.6844","0.0007","10.6519","0.0006","17.8894","0.0011","90","","98.021","0.001","90","","2204.8","0.2","173","2","173","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","BillMilesMnComplex","","","- C22 H18 B Cl2 F4 Mn O3 -","- C22 H18 B Cl2 F4 Mn O3 -","- C88 H72 B4 Cl8 F16 Mn4 O12 -","4","1","","Miles, William H.; Robinson, Michael J.; Lessard, Samantha G.; Thamattoor, Dasan M.","Through-Space Shielding Effects of Metal-Complexed Phenyl Rings.","The Journal of organic chemistry","2016","81","22","10791","10801","10.1021/acs.joc.6b01858","","","0.71073","MoKα","","0.0416","0.0385","","","0.0991","0.1021","","","","","","1.075","","","","has coordinates","235877","2020-10-21","18:00:00",""
"4037266","14.167","0.0009","14.7098","0.0009","19.8422","0.0012","90","","90","","90","","4135","0.4","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","BillRuComp (DCM/ether)","","","- C23 H21 F6 P Ru -","- C23 H21 F6 P Ru -","- C184 H168 F48 P8 Ru8 -","8","1","","Miles, William H.; Robinson, Michael J.; Lessard, Samantha G.; Thamattoor, Dasan M.","Through-Space Shielding Effects of Metal-Complexed Phenyl Rings.","The Journal of organic chemistry","2016","81","22","10791","10801","10.1021/acs.joc.6b01858","","","0.71073","MoKα","","0.0682","0.0551","","","0.1559","0.1685","","","","","","1.057","","","","has coordinates","235877","2020-10-21","18:00:00",""
"4037267","11.63","0.03","18.97","0.05","12.18","0.03","90","","111.9","0.03","90","","2493","11","296","2","296","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C28 H30 O3 -","- C28 H30 O3 -","- C112 H120 O12 -","4","1","","Yang, Chi; Gao, Shang; Yao, Hequan; Lin, Aijun","Rhodium-Catalyzed Hydroacylation of para-Quinone Methides with Salicylaldehydes: An Approach to α,α-Diaryl-2-Hydroxy Acetophenones.","The Journal of organic chemistry","2016","81","23","11956","11964","10.1021/acs.joc.6b01859","","","0.71073","MoKα","","0.0553","0.0429","","","0.1258","0.1337","","","","","","1.058","","","","has coordinates","235879","2020-10-21","18:00:00",""
"4037268","4.9412","0.0011","25.169","0.006","10.106","0.003","90","","96.543","0.011","90","","1248.6","0.6","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C15 H12 O6 -","- C15 H12 O6 -","- C60 H48 O24 -","4","1","","Baker, Matthew B.; Ferreira, Renan B.; Tasseroul, Jonathan; Lampkins, Andrew J.; Al Abbas, Alexandre; Abboud, Khalil A.; Castellano, Ronald K.","Selective and Sequential Aminolysis of Benzotrifuranone: Synergism of Electronic Effects and Ring Strain Gradient.","The Journal of organic chemistry","2016","81","19","9279","9288","10.1021/acs.joc.6b01867","","","0.71073","MoKα","","0.0528","0.0381","","","0.0919","0.0995","","","","","","1.02","","","","has coordinates","235881","2020-10-21","18:00:00",""
"4037269","8.0547","0.0002","10.5273","0.0002","11.4975","0.0003","88.285","0.001","87.245","0.001","73.009","0.001","931.16","0.04","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C22 H21 N O6 -","- C22 H21 N O6 -","- C44 H42 N2 O12 -","2","1","","Baker, Matthew B.; Ferreira, Renan B.; Tasseroul, Jonathan; Lampkins, Andrew J.; Al Abbas, Alexandre; Abboud, Khalil A.; Castellano, Ronald K.","Selective and Sequential Aminolysis of Benzotrifuranone: Synergism of Electronic Effects and Ring Strain Gradient.","The Journal of organic chemistry","2016","81","19","9279","9288","10.1021/acs.joc.6b01867","","","0.71073","MoKα","","0.0399","0.0342","","","0.0878","0.0925","","","","","","1.033","","","","has coordinates","235881","2020-10-21","18:00:00",""
"4037270","18.263","0.0007","4.8365","0.0002","19.3532","0.0007","90","","100.698","0.001","90","","1679.74","0.11","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C20 H16 N O7 -","- C20 H16 N O7 -","- C80 H64 N4 O28 -","4","1","","Baker, Matthew B.; Ferreira, Renan B.; Tasseroul, Jonathan; Lampkins, Andrew J.; Al Abbas, Alexandre; Abboud, Khalil A.; Castellano, Ronald K.","Selective and Sequential Aminolysis of Benzotrifuranone: Synergism of Electronic Effects and Ring Strain Gradient.","The Journal of organic chemistry","2016","81","19","9279","9288","10.1021/acs.joc.6b01867","","","0.71073","MoKα","","0.0562","0.0433","","","0.1285","0.1367","","","","","","1.079","","","","has coordinates","235881","2020-10-21","18:00:00",""
"4037271","20.577","0.002","6.0864","0.0006","16.6191","0.0018","90","","106.465","0.005","90","","1996","0.4","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C21 H26 O7 -","- C21 H26 O7 -","- C84 H104 O28 -","4","1","","Mondal, Soumik; Sureshan, Kana M.","Carbasugar Synthesis via Vinylogous Ketal: Total Syntheses of (+)-MK7607, (-)-MK7607, (-)-Gabosine A, (-)-Epoxydine B, (-)-Epoxydine C, epi-(+)-Gabosine E and epi-(+)-MK7607.","The Journal of organic chemistry","2016","81","23","11635","11645","10.1021/acs.joc.6b01876","","","0.71073","MoKα","","0.0506","0.0425","","","0.1075","0.1161","","","","","","1.035","","","","has coordinates","235883","2020-10-21","18:00:00",""
"4037272","11.3423","0.0005","10.4132","0.0005","17.944","0.0009","90","","104.97","0.005","90","","2047.43","0.18","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C21 H20 N2 O4 S2 -","- C21 H20 N2 O4 S2 -","- C84 H80 N8 O16 S8 -","4","1","","Chen, Zhiyuan; Huang, Jiapian; Wang, Zhijie","Transition-Metal-Catalyzed Hydrosulfoximination and Oxidation Reaction for the Synthesis of Sulfoximine Derivatives.","The Journal of organic chemistry","2016","81","19","9308","9314","10.1021/acs.joc.6b01891","","","0.71073","MoKα","","0.0478","0.0414","","","0.0864","0.0896","","","","","","1.004","","","","has coordinates","235885","2020-10-21","18:00:00",""
"4037273","20.849","0.002","6.117","0.0006","20.0741","0.0013","90","","90","","90","","2560.1","0.4","293","2","293","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C28 H26 N2 O3 S2 -","- C28 H26 N2 O3 S2 -","- C112 H104 N8 O12 S8 -","4","1","","Chen, Zhiyuan; Huang, Jiapian; Wang, Zhijie","Transition-Metal-Catalyzed Hydrosulfoximination and Oxidation Reaction for the Synthesis of Sulfoximine Derivatives.","The Journal of organic chemistry","2016","81","19","9308","9314","10.1021/acs.joc.6b01891","","","0.71073","MoKα","","0.0754","0.0686","","","0.1211","0.1239","","","","","","1.004","","","","has coordinates","235886","2020-10-21","18:00:00",""
"4037274","10.5985","0.0005","8.0053","0.0004","31.2829","0.0014","90","","93.6548","0.0006","90","","2648.8","0.2","173","2","173","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C28 H22 N8 -","- C28 H22 N8 -","- C112 H88 N32 -","4","1","","Brassard, Christopher J.; Zhang, Xiaoguang; Brewer, Christopher R.; Liu, Peiye; Clark, Ronald J.; Zhu, Lei","Cu(II)-Catalyzed Oxidative Formation of 5,5'-Bistriazoles.","The Journal of organic chemistry","2016","81","24","12091","12105","10.1021/acs.joc.6b01907","","","0.71073","MoKα","","0.0606","0.0505","","","0.1296","0.1361","","","","","","1.063","","","","has coordinates","235888","2020-10-21","18:00:00",""
"4037275","9.077","0.004","10.503","0.004","11.236","0.004","71.951","0.005","88.879","0.004","67.801","0.004","937.2","0.6","103","2","103","2","","","","","","","","3","P -1","-P 1","2","","","","- C22 H22 N6 -","- C22 H22 N6 -","- C44 H44 N12 -","2","1","","Brassard, Christopher J.; Zhang, Xiaoguang; Brewer, Christopher R.; Liu, Peiye; Clark, Ronald J.; Zhu, Lei","Cu(II)-Catalyzed Oxidative Formation of 5,5'-Bistriazoles.","The Journal of organic chemistry","2016","81","24","12091","12105","10.1021/acs.joc.6b01907","","","0.71073","MoKα","","0.0442","0.0368","","","0.0864","0.0914","","","","","","0.997","","","","has coordinates","235888","2020-10-21","18:00:00",""
"4037276","9.999","0.003","11.95","0.004","12.963","0.004","77.768","0.004","71.783","0.003","66.201","0.003","1339.6","0.7","103","2","103","2","","","","","","","","4","P -1","-P 1","2","","","","- C32 H28 N6 O2 -","- C32 H28 N6 O2 -","- C64 H56 N12 O4 -","2","1","","Brassard, Christopher J.; Zhang, Xiaoguang; Brewer, Christopher R.; Liu, Peiye; Clark, Ronald J.; Zhu, Lei","Cu(II)-Catalyzed Oxidative Formation of 5,5'-Bistriazoles.","The Journal of organic chemistry","2016","81","24","12091","12105","10.1021/acs.joc.6b01907","","","0.71073","MoKα","","0.0608","0.0449","","","0.1124","0.122","","","","","","0.998","","","","has coordinates","235888","2020-10-21","18:00:00",""
"4037277","22.087","0.013","10.022","0.006","8.828","0.005","90","","90","","90","","1954","2","103","2","103","2","","","","","","","","3","P c a 21","P 2c -2ac","29","","","","- C22 H22 N6 -","- C22 H22 N6 -","- C88 H88 N24 -","4","1","","Brassard, Christopher J.; Zhang, Xiaoguang; Brewer, Christopher R.; Liu, Peiye; Clark, Ronald J.; Zhu, Lei","Cu(II)-Catalyzed Oxidative Formation of 5,5'-Bistriazoles.","The Journal of organic chemistry","2016","81","24","12091","12105","10.1021/acs.joc.6b01907","","","0.71073","MoKα","","0.0395","0.0318","","","0.0676","0.071","","","","","","1.059","","","","has coordinates","235888","2020-10-21","18:00:00",""
"4037278","12.898","0.006","32.52","0.015","9.33","0.004","90","","101.68","0.02","90","","3832","3","103","2","103","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C44 H44 N12 O0.24 -","- C44 H44 N12 O0.237 -","- C176 H176 N48 O0.948 -","4","1","","Brassard, Christopher J.; Zhang, Xiaoguang; Brewer, Christopher R.; Liu, Peiye; Clark, Ronald J.; Zhu, Lei","Cu(II)-Catalyzed Oxidative Formation of 5,5'-Bistriazoles.","The Journal of organic chemistry","2016","81","24","12091","12105","10.1021/acs.joc.6b01907","","","0.71073","MoKα","","0.0915","0.0514","","","0.1146","0.143","","","","","","1.021","","","","has coordinates","235888","2020-10-21","18:00:00",""
"4037279","10.1162","0.0006","17.5805","0.0011","13.566","0.0008","90","","97.3442","0.0008","90","","2392.9","0.2","103","2","103","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C30 H24 N6 -","- C30 H24 N6 -","- C120 H96 N24 -","4","1","","Brassard, Christopher J.; Zhang, Xiaoguang; Brewer, Christopher R.; Liu, Peiye; Clark, Ronald J.; Zhu, Lei","Cu(II)-Catalyzed Oxidative Formation of 5,5'-Bistriazoles.","The Journal of organic chemistry","2016","81","24","12091","12105","10.1021/acs.joc.6b01907","","","0.71073","MoKα","","0.0473","0.0418","","","0.0924","0.0962","","","","","","0.962","","","","has coordinates","235888","2020-10-21","18:00:00",""
"4037280","10.074","0.004","12.014","0.004","13.149","0.005","63.293","0.004","83.12","0.004","76.074","0.004","1379.7","0.9","103","2","103","2","","","","","","","","4","P -1","-P 1","2","","","","- C32 H27 N7 O2 -","- C32 H27 N7 O2 -","- C64 H54 N14 O4 -","2","1","","Brassard, Christopher J.; Zhang, Xiaoguang; Brewer, Christopher R.; Liu, Peiye; Clark, Ronald J.; Zhu, Lei","Cu(II)-Catalyzed Oxidative Formation of 5,5'-Bistriazoles.","The Journal of organic chemistry","2016","81","24","12091","12105","10.1021/acs.joc.6b01907","","","0.71073","MoKα","","0.0417","0.0386","","","0.0952","0.0979","","","","","","1.026","","","","has coordinates","235888","2020-10-21","18:00:00",""
"4037281","11.575","0.004","14.13","0.005","19.212","0.007","90","","97.899","0.004","90","","3112.4","1.9","103","2","103","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C34 H34 N8 O2 -","- C34 H34 N8 O2 -","- C136 H136 N32 O8 -","4","1","","Brassard, Christopher J.; Zhang, Xiaoguang; Brewer, Christopher R.; Liu, Peiye; Clark, Ronald J.; Zhu, Lei","Cu(II)-Catalyzed Oxidative Formation of 5,5'-Bistriazoles.","The Journal of organic chemistry","2016","81","24","12091","12105","10.1021/acs.joc.6b01907","","","0.71073","MoKα","","0.0551","0.0409","","","0.0891","0.0972","","","","","","0.964","","","","has coordinates","235888","2020-10-21","18:00:00",""
"4037282","9.0751","0.0002","9.0751","0.0002","34.9812","0.0006","90","","90","","90","","2880.96","0.1","203","2","203","2","","","","","","","","3","P 41 21 2","P 4abw 2nw","92","","","","- C34 H32 N6 -","- C34 H32 N6 -","- C136 H128 N24 -","4","0.5","","Brassard, Christopher J.; Zhang, Xiaoguang; Brewer, Christopher R.; Liu, Peiye; Clark, Ronald J.; Zhu, Lei","Cu(II)-Catalyzed Oxidative Formation of 5,5'-Bistriazoles.","The Journal of organic chemistry","2016","81","24","12091","12105","10.1021/acs.joc.6b01907","","","0.71073","MoKα","","0.0507","0.0398","","","0.1018","0.1096","","","","","","1.011","","","","has coordinates,has disorder","235888","2020-10-21","18:00:00",""
"4037283","14.415","0.004","16.688","0.005","12.739","0.004","90","","97.053","0.006","90","","3041.3","1.6","173","2","173","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C34 H30 Cl2 N6 -","- C34 H30 Cl2 N6 -","- C136 H120 Cl8 N24 -","4","0.5","","Brassard, Christopher J.; Zhang, Xiaoguang; Brewer, Christopher R.; Liu, Peiye; Clark, Ronald J.; Zhu, Lei","Cu(II)-Catalyzed Oxidative Formation of 5,5'-Bistriazoles.","The Journal of organic chemistry","2016","81","24","12091","12105","10.1021/acs.joc.6b01907","","","0.71073","MoKα","","0.0631","0.0447","","","0.0792","0.0827","","","","","","1.769","","","","has coordinates","235888","2020-10-21","18:00:00",""
"4037284","19.2424","0.0006","19.606","0.0007","50.4378","0.0016","90","","90","","90","","19028.5","1.1","100","","100","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C86 H96 N8 O24.21 P2 -","- C86 H96 N8 O24.205 P2 -","- C688 H768 N64 O193.64 P16 -","8","2","","Jones, Bradley R.; Abrams, M. Leigh; Landis, Clark R.; May, Scott A.; Campbell, Alison N.; Martinelli, Joseph R.; Calvin, Joel R.","Scalable Synthesis of Enantiopure Bis-3,4-diazaphospholane Ligands for Asymmetric Catalysis.","The Journal of organic chemistry","2016","81","23","11965","11970","10.1021/acs.joc.6b01915","","x-ray","1.54178","CuKα","","0.1688","0.1501","","","0.4166","0.4728","","","","","","1.01","","","","has coordinates,has disorder","235891","2020-10-21","18:00:00",""
"4037285","28.653","0.006","9.7201","0.0019","18.842","0.004","90","","90","","90","","5247.7","1.9","300","2","300","2","","","","","","","","4","P c c n","-P 2ab 2ac","56","","","","- C70 H52 N4 O -","- C70 H52 N4 O -","- C280 H208 N16 O4 -","4","0.5","","Jana, Sourav; Dey, Amrita; Singsardar, Mukta; Bagdi, Avik K.; Hajra, Alakananda","Zn(OTf)<sub>2</sub>-Catalyzed Synthesis of Imidazole-Substituted Allenes.","The Journal of organic chemistry","2016","81","19","9489","9493","10.1021/acs.joc.6b01916","","","0.71073","MoKα","","0.095","0.0462","","","0.12","0.1522","","","","","","0.921","","","","has coordinates","235893","2020-10-21","18:00:00",""
"4037286","8.7733","0.0011","14.7716","0.0019","13.7797","0.0018","90","","106.983","0.002","90","","1707.9","0.4","120","2","120","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C19 H24 O4 -","- C19 H24 O4 -","- C76 H96 O16 -","4","1","","Trost, Barry M.; Masters, James T.; Le Vaillant, Franck; Lumb, Jean-Philip","Synthesis of a 1,3-Bridged Macrobicyclic Enyne via Chemoselective Cycloisomerization Using Palladium-Catalyzed Alkyne-Alkyne Coupling.","The Journal of organic chemistry","2016","81","20","10023","10028","10.1021/acs.joc.6b01920","","","0.71073","MoKα","","0.0513","0.0375","","","0.0829","0.0907","","","","","","1.015","","","","has coordinates","235895","2020-10-21","18:00:00",""
"4037287","7.331","0.002","10.1068","0.0015","14.572","0.002","84.948","0.015","83.2","0.03","79.942","0.014","1053.1","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C13 H7 N O2 S -","- C13 H7 N O2 S -","- C52 H28 N4 O8 S4 -","4","2","","Nitti, Andrea; Signorile, Marco; Boiocchi, Massimo; Bianchi, Gabriele; Po, Riccardo; Pasini, Dario","Conjugated Thiophene-Fused Isatin Dyes through Intramolecular Direct Arylation.","The Journal of organic chemistry","2016","81","22","11035","11042","10.1021/acs.joc.6b01922","","","0.71073","MoKα","","0.053","0.0403","","","0.1018","0.1096","","","","","","1.024","","","","has coordinates","250444","2020-10-21","18:00:00",""
"4037288","5.3775","0.0006","31.052","0.005","12.3237","0.0013","90","","90.673","0.011","90","","2057.7","0.5","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C13 H7 N O2 S -","- C13 H7 N O2 S -","- C104 H56 N8 O16 S8 -","8","2","","Nitti, Andrea; Signorile, Marco; Boiocchi, Massimo; Bianchi, Gabriele; Po, Riccardo; Pasini, Dario","Conjugated Thiophene-Fused Isatin Dyes through Intramolecular Direct Arylation.","The Journal of organic chemistry","2016","81","22","11035","11042","10.1021/acs.joc.6b01922","","","0.71073","MoKα","","0.1165","0.0545","","","0.1029","0.1243","","","","","","1.007","","","","has coordinates","250444","2020-10-21","18:00:00",""
"4037289","8.205","0.002","14.884","0.004","14.978","0.004","62.98","0.02","86.64","0.03","86.32","0.03","1625.3","0.8","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C27 H14 Br6 Cl2 N2 O4 S2 -","- C27 H14 Br6 Cl2 N2 O4 S2 -","- C54 H28 Br12 Cl4 N4 O8 S4 -","2","1","","Nitti, Andrea; Signorile, Marco; Boiocchi, Massimo; Bianchi, Gabriele; Po, Riccardo; Pasini, Dario","Conjugated Thiophene-Fused Isatin Dyes through Intramolecular Direct Arylation.","The Journal of organic chemistry","2016","81","22","11035","11042","10.1021/acs.joc.6b01922","","","0.71073","MoKα","","0.0999","0.0761","","","0.1819","0.2077","","","","","","1.151","","","","has coordinates,has disorder","235897","2020-10-21","18:00:00",""
"4037290","23.534","0.004","8.2908","0.0012","16.25","0.006","90","","96.99","0.02","90","","3147.1","1.4","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C15 H12 Br2 N2 O2 S -","- C15 H12 Br2 N2 O2 S -","- C120 H96 Br16 N16 O16 S8 -","8","2","","Nitti, Andrea; Signorile, Marco; Boiocchi, Massimo; Bianchi, Gabriele; Po, Riccardo; Pasini, Dario","Conjugated Thiophene-Fused Isatin Dyes through Intramolecular Direct Arylation.","The Journal of organic chemistry","2016","81","22","11035","11042","10.1021/acs.joc.6b01922","","","0.71073","MoKα","","0.1693","0.1087","","","0.2012","0.2417","","","","","","1.192","","","","has coordinates","250444","2020-10-21","18:00:00",""
"4037291","7.3624","0.0008","7.3704","0.0007","14.0312","0.0015","83.266","0.003","74.936","0.004","80.647","0.004","723.2","0.13","0","2","0","","","","","","","","","5","P -1","-P 1","2","","","","- C14 H15 F3 N2 O4 -","- C14 H15 F3 N2 O4 -","- C28 H30 F6 N4 O8 -","2","1","","Rulev, Alexander Yu; Romanov, Alexey R.; Kondrashov, Evgeniy V.; Ushakov, Igor A.; Vashchenko, Alexander V.; Muzalevskiy, Vasiliy M.; Nenajdenko, Valentine G.","Domino Assembly of Trifluoromethylated N,O-Heterocycles by the Reaction of Fluorinated α-Bromoenones with Amino Alcohols.","The Journal of organic chemistry","2016","81","20","10029","10034","10.1021/acs.joc.6b01927","","","0.71073","MoKα","","0.1145","0.1046","","","0.2894","0.2935","","","","","","1.173","","","","has coordinates","235899","2020-10-21","18:00:00",""
"4037292","11.93","0.0005","9.6569","0.0005","22.248","0.0011","90","","90","","90","","2563.1","0.2","0","2","0","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C12 H11 F3 N2 O4 -","- C12 H11 F3 N2 O4 -","- C96 H88 F24 N16 O32 -","8","1","","Rulev, Alexander Yu; Romanov, Alexey R.; Kondrashov, Evgeniy V.; Ushakov, Igor A.; Vashchenko, Alexander V.; Muzalevskiy, Vasiliy M.; Nenajdenko, Valentine G.","Domino Assembly of Trifluoromethylated N,O-Heterocycles by the Reaction of Fluorinated α-Bromoenones with Amino Alcohols.","The Journal of organic chemistry","2016","81","20","10029","10034","10.1021/acs.joc.6b01927","","","0.71073","MoKα","","0.0533","0.0389","","","0.1221","0.1325","","","","","","1.044","","","","has coordinates","235900","2020-10-21","18:00:00",""
"4037293","5.7857","0.0004","10.2761","0.0006","22.0932","0.0013","90","","90","","90","","1313.54","0.14","297.1","","297.1","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C13 H14 F3 N O3 -","- C13 H14 F3 N O3 -","- C52 H56 F12 N4 O12 -","4","1","","Rulev, Alexander Yu; Romanov, Alexey R.; Kondrashov, Evgeniy V.; Ushakov, Igor A.; Vashchenko, Alexander V.; Muzalevskiy, Vasiliy M.; Nenajdenko, Valentine G.","Domino Assembly of Trifluoromethylated N,O-Heterocycles by the Reaction of Fluorinated α-Bromoenones with Amino Alcohols.","The Journal of organic chemistry","2016","81","20","10029","10034","10.1021/acs.joc.6b01927","","","0.71073","MoKα","","0.0475","0.0366","","","0.0825","0.0867","","","","","","1.075","","","","has coordinates","235902","2020-10-21","18:00:00",""
"4037294","19.289","0.004","11.081","0.002","23.943","0.005","90","","90","","90","","5117.6","1.8","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C29 H25 Br O3 Si -","- C29 H25 Br O3 Si -","- C232 H200 Br8 O24 Si8 -","8","1","","Liu, Hui-Li; Xie, Ming-Sheng; Qu, Gui-Rong; Guo, Hai-Ming","Organocatalytic Enantioselective Allylic Etherification of Morita-Baylis-Hillman Carbonates and Silanols.","The Journal of organic chemistry","2016","81","20","10035","10042","10.1021/acs.joc.6b01931","","","0.71073","MoKα","","0.0749","0.0403","","","0.1003","0.135","","","","","","1.085","","","","has coordinates","235904","2020-10-21","18:00:00",""
"4037295","10.545","0.002","12.431","0.003","19.567","0.004","90","","90","","90","","2564.9","0.9","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C29 H25 Br O3 Si -","- C29 H25 Br O3 Si -","- C116 H100 Br4 O12 Si4 -","4","1","","Liu, Hui-Li; Xie, Ming-Sheng; Qu, Gui-Rong; Guo, Hai-Ming","Organocatalytic Enantioselective Allylic Etherification of Morita-Baylis-Hillman Carbonates and Silanols.","The Journal of organic chemistry","2016","81","20","10035","10042","10.1021/acs.joc.6b01931","","","0.71073","MoKα","","0.0446","0.0311","","","0.0645","0.0695","","","","","","1.033","","","","has coordinates","235906","2020-10-21","18:00:00",""
"4037296","12.8743","0.0016","8.0021","0.0007","14.8751","0.0015","90","","100.11","0.004","90","","1508.7","0.3","293","","293","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H14 N2 O2 S -","- C18 H14 N2 O2 S -","- C72 H56 N8 O8 S4 -","4","1","","Naveen, ?; Rajkumar, Vadla; Babu, Srinivasarao Arulananda; Gopalakrishnan, Bojan","Pd(II)-Catalyzed Bidentate Directing Group-Aided Chemoselective Acetoxylation of Remote ε-C(sp<sup>2</sup>)-H Bonds in Heteroaryl-Aryl-Based Biaryl Systems.","The Journal of organic chemistry","2016","81","24","12197","12211","10.1021/acs.joc.6b01933","","","0.71073","MoKα","","0.0854","0.0568","","","0.1556","0.2331","","","","","","1.04","","","","has coordinates","235908","2020-10-21","18:00:00",""
"4037297","7.1877","0.0005","25.1688","0.0016","9.809","0.0006","90","","110.284","0.004","90","","1664.46","0.19","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H20 N2 O2 -","- C19 H20 N2 O2 -","- C76 H80 N8 O8 -","4","1","","Chan, Chieh-Kai; Tsai, Yu-Lin; Chan, Yi-Ling; Chang, Meng-Yang","Synthesis of Substituted 2,3-Benzodiazepines.","The Journal of organic chemistry","2016","81","20","9836","9847","10.1021/acs.joc.6b01935","","","0.71073","MoKα","","0.0649","0.0481","","","0.1186","0.1299","","","","","","1.03","","","","has coordinates","235910","2020-10-21","18:00:00",""
"4037298","8.1616","0.0006","8.6757","0.0007","22.6247","0.0019","90","","90.485","0.003","90","","1601.9","0.2","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C19 H20 N2 O3 -","- C19 H20 N2 O3 -","- C76 H80 N8 O12 -","4","1","","Chan, Chieh-Kai; Tsai, Yu-Lin; Chan, Yi-Ling; Chang, Meng-Yang","Synthesis of Substituted 2,3-Benzodiazepines.","The Journal of organic chemistry","2016","81","20","9836","9847","10.1021/acs.joc.6b01935","","","0.71073","MoKα","","0.0418","0.0356","","","0.097","0.1152","","","","","","1.129","","","","has coordinates","235913","2020-10-21","18:00:00",""
"4037299","15.2093","0.0009","4.0297","0.0002","18.2902","0.0011","90","","90.067","0.003","90","","1120.99","0.11","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C12 H14 N2 O3 -","- C12 H14 N2 O3 -","- C48 H56 N8 O12 -","4","1","","Chan, Chieh-Kai; Tsai, Yu-Lin; Chan, Yi-Ling; Chang, Meng-Yang","Synthesis of Substituted 2,3-Benzodiazepines.","The Journal of organic chemistry","2016","81","20","9836","9847","10.1021/acs.joc.6b01935","","","0.71073","MoKα","","0.0662","0.0491","","","0.1559","0.1878","","","","","","1.098","","","","has coordinates","235914","2020-10-21","18:00:00",""
"4037300","8.4384","0.0006","11.0458","0.0008","12.1243","0.0008","70.841","0.002","77.317","0.002","86.918","0.002","1041.25","0.13","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C23 H26 N2 O3 -","- C23 H26 N2 O3 -","- C46 H52 N4 O6 -","2","1","","Chan, Chieh-Kai; Tsai, Yu-Lin; Chan, Yi-Ling; Chang, Meng-Yang","Synthesis of Substituted 2,3-Benzodiazepines.","The Journal of organic chemistry","2016","81","20","9836","9847","10.1021/acs.joc.6b01935","","","0.71073","MoKα","","0.071","0.0473","","","0.1277","0.1461","","","","","","1.04","","","","has coordinates,has disorder","235916","2020-10-21","18:00:00",""
"4037301","11.5472","0.0005","9.5808","0.0003","17.8875","0.0007","90","","95.831","0.002","90","","1968.68","0.13","296","2","296","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C24 H22 O4 -","- C24 H22 O4 -","- C96 H88 O16 -","4","1","","Chan, Chieh-Kai; Tsai, Yu-Lin; Chan, Yi-Ling; Chang, Meng-Yang","Synthesis of Substituted 2,3-Benzodiazepines.","The Journal of organic chemistry","2016","81","20","9836","9847","10.1021/acs.joc.6b01935","","","0.71073","MoKα","","0.0882","0.0547","","","0.1499","0.1806","","","","","","1.082","","","","has coordinates","235918","2020-10-21","18:00:00",""
"4037302","11.5911","0.0012","12.1293","0.0015","12.5797","0.0013","76.989","0.006","62.67","0.004","72.283","0.005","1489","0.3","153","","153","","","","","","","","","4","P -1","-P 1","2","","","","- C31 H37 N5 O8 -","- C31 H37 N5 O8 -","- C62 H74 N10 O16 -","2","1","","Yamazaki, Shoko; Sugiura, Hirotaka; Ohashi, Shinnosuke; Ishizuka, Keisuke; Saimu, Rina; Mikata, Yuji; Ogawa, Akiya","Intramolecular [2 + 2] and [4 + 2] Cycloaddition Reactions of Cinnamylamides of Ethenetricarboxylate in Sequential Processes.","The Journal of organic chemistry","2016","81","22","10863","10886","10.1021/acs.joc.6b01947","","","0.71075","MoKα","","0.0466","0.0404","","","0.1038","0.1104","","","","","","1.067","","","","has coordinates","235919","2020-10-21","18:00:00",""
"4037303","15.502","0.004","17.641","0.004","14.182","0.003","90","","95.308","0.005","90","","3861.7","1.6","293","2","293","2","","","","","","","","9","P 1 21/c 1","-P 2ybc","14","","","","- C32 H38 Au Cl2 F6 N O2 P Sb -","- C32 H38 Au Cl2 F6 N O2 P Sb -","- C128 H152 Au4 Cl8 F24 N4 O8 P4 Sb4 -","4","1","","Yu, Yinghua; Chen, Gui; Zhu, Lei; Liao, Yun; Wu, Yufeng; Huang, Xueliang","Gold-Catalyzed β-Regioselective Formal [3 + 2] Cycloaddition of Ynamides with Pyrido[1,2-b]indazoles: Reaction Development and Mechanistic Insights.","The Journal of organic chemistry","2016","81","18","8142","8154","10.1021/acs.joc.6b01948","","","0.71073","MoKα","","0.062","0.0499","","","0.1298","0.1369","","","","","","0.979","","","","has coordinates","235922","2020-10-21","18:00:00",""
"4037304","12.544","0.003","14.099","0.003","13.291","0.003","90","","111.66","0.03","90","","2184.6","1","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C28 H21 N3 O2 -","- C28 H21 N3 O2 -","- C112 H84 N12 O8 -","4","1","","Yu, Yinghua; Chen, Gui; Zhu, Lei; Liao, Yun; Wu, Yufeng; Huang, Xueliang","Gold-Catalyzed β-Regioselective Formal [3 + 2] Cycloaddition of Ynamides with Pyrido[1,2-b]indazoles: Reaction Development and Mechanistic Insights.","The Journal of organic chemistry","2016","81","18","8142","8154","10.1021/acs.joc.6b01948","","","0.71073","MoKα","","0.0498","0.0442","","","0.1156","0.1211","","","","","","1.026","","","","has coordinates","235924","2020-10-21","18:00:00",""
"4037305","14.901","0.003","10.12","0.002","23.618","0.005","90","","92.62","0.03","90","","3557.8","1.3","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H16 N3 O2 -","- C22 H16 N3 O2 -","- C176 H128 N24 O16 -","8","2","","Yu, Yinghua; Chen, Gui; Zhu, Lei; Liao, Yun; Wu, Yufeng; Huang, Xueliang","Gold-Catalyzed β-Regioselective Formal [3 + 2] Cycloaddition of Ynamides with Pyrido[1,2-b]indazoles: Reaction Development and Mechanistic Insights.","The Journal of organic chemistry","2016","81","18","8142","8154","10.1021/acs.joc.6b01948","","","0.71073","MoKα","","0.0582","0.0533","","","0.1562","0.1621","","","","","","1.099","","","","has coordinates","254431","2020-10-21","18:00:00",""
"4037306","9.6007","0.0019","18.225","0.004","19.435","0.004","105.32","0.03","91.26","0.03","96.56","0.03","3253.4","1.3","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C31 H35 Au F6 N2 P Sb -","- C31 H35 Au F6 N2 P Sb -","- C124 H140 Au4 F24 N8 P4 Sb4 -","4","2","","Yu, Yinghua; Chen, Gui; Zhu, Lei; Liao, Yun; Wu, Yufeng; Huang, Xueliang","Gold-Catalyzed β-Regioselective Formal [3 + 2] Cycloaddition of Ynamides with Pyrido[1,2-b]indazoles: Reaction Development and Mechanistic Insights.","The Journal of organic chemistry","2016","81","18","8142","8154","10.1021/acs.joc.6b01948","","","0.71073","MoKα","","0.0396","0.0337","","","0.0785","0.0805","","","","","","0.956","","","","has coordinates","235927","2020-10-21","18:00:00",""
"4037307","9.0639","0.0018","17.086","0.003","12.365","0.003","90","","109.34","0.03","90","","1806.9","0.7","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C23 H19 N3 O2 -","- C23 H19 N3 O2 -","- C92 H76 N12 O8 -","4","1","","Yu, Yinghua; Chen, Gui; Zhu, Lei; Liao, Yun; Wu, Yufeng; Huang, Xueliang","Gold-Catalyzed β-Regioselective Formal [3 + 2] Cycloaddition of Ynamides with Pyrido[1,2-b]indazoles: Reaction Development and Mechanistic Insights.","The Journal of organic chemistry","2016","81","18","8142","8154","10.1021/acs.joc.6b01948","","","0.71073","MoKα","","0.0657","0.0455","","","0.126","0.1374","","","","","","1.006","","","","has coordinates","235928","2020-10-21","18:00:00",""
"4037308","12.5614","0.0002","5.24978","0.0001","13.4122","0.0003","90","","91.3092","0.0016","90","","884.23","0.03","290.7","0.1","290.7","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C19 H17 F3 O3 -","- C19 H17 F3 O3 -","- C38 H34 F6 O6 -","2","1","","Yang, Guang-Jun; Du, Wei; Chen, Ying-Chun","Construction of Furan Derivatives with a Trifluoromethyl Stereogenic Center: Enantioselective Friedel-Crafts Alkylations via Formal Trienamine Catalysis.","The Journal of organic chemistry","2016","81","20","10056","10061","10.1021/acs.joc.6b01950","","x-ray","1.54184","CuKα","","0.0481","0.0472","","","0.1321","0.1334","","","","","","1.047","","","","has coordinates","235930","2020-10-21","18:00:00",""
"4037309","12.089","0.0006","8.181","0.0003","21.9045","0.0011","90","","95.72","0.002","90","","2155.57","0.17","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","Rig611","","","- C20 H22 Cl N5 O3 S -","- C20 H22 Cl N5 O3 S -","- C80 H88 Cl4 N20 O12 S4 -","4","1","","Rodrigo, Eduardo; Alonso, Inés; García Ruano, José Luis; Cid, M Belén","Expanding the Potential of Heteroaryl Vinyl Sulfones.","The Journal of organic chemistry","2016","81","22","10887","10899","10.1021/acs.joc.6b01956","","","0.71073","MoK\a","","0.0759","0.0408","","","0.1019","0.1332","","","","","","1.087","","","","has coordinates","235932","2020-10-21","18:00:00",""
"4037310","31.448","0.008","17.914","0.004","72.329","0.018","90","","93.536","0.004","90","","40670","17","113","","113","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C176 H186 N12 O7 S -","- C176 H186 N12 O7 S -","- C1408 H1488 N96 O56 S8 -","8","1","","Satake, Akira; Ishizawa, Yuki; Katagiri, Hiroshi; Kondo, Shin-Ichi","Chloride Selective Macrocyclic Bisurea Derivatives with 2,2'-Binaphthalene Moieties as Spacers.","The Journal of organic chemistry","2016","81","20","9848","9857","10.1021/acs.joc.6b01959","","","0.71075","MoKα","","0.1134","0.0847","","","0.2609","0.2837","","","","","","1.041","","","","has coordinates,has disorder","235934","2020-10-21","18:00:00",""
"4037311","8.5439","0.0013","25.359","0.004","27.711","0.004","90","","103.197","0.005","90","","5845.4","1.5","113","","113","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C60 H66 Cl7 N5 O2 -","- C60 H66 Cl7 N5 O2 -","- C240 H264 Cl28 N20 O8 -","4","1","","Satake, Akira; Ishizawa, Yuki; Katagiri, Hiroshi; Kondo, Shin-Ichi","Chloride Selective Macrocyclic Bisurea Derivatives with 2,2'-Binaphthalene Moieties as Spacers.","The Journal of organic chemistry","2016","81","20","9848","9857","10.1021/acs.joc.6b01959","","","0.71075","MoKα","","0.0968","0.0754","","","0.1758","0.1891","","","","","","1.115","","","","has coordinates,has disorder","235934","2020-10-21","18:00:00",""
"4037312","34.448","0.0006","16.3547","0.0003","24.2238","0.0004","90","","95.6897","0.0007","90","","13580.1","0.4","203","","203","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C75 H102 Cl N5 O2.5 S0.5 -","- C75 H96 Cl N5 O2.5 S0.5 -","- C600 H768 Cl8 N40 O20 S4 -","8","1","","Satake, Akira; Ishizawa, Yuki; Katagiri, Hiroshi; Kondo, Shin-Ichi","Chloride Selective Macrocyclic Bisurea Derivatives with 2,2'-Binaphthalene Moieties as Spacers.","The Journal of organic chemistry","2016","81","20","9848","9857","10.1021/acs.joc.6b01959","","","1.54187","CuKα","","0.1111","0.0714","","","0.183","0.2357","","","","","","1.006","","","","has coordinates,has disorder","235934","2020-10-21","18:00:00",""
"4037313","17.154","0.002","19.517","0.003","26.195","0.003","90","","127.031","0.006","90","","7001.1","1.7","113","","113","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C61 H63 Cl9 N4 O2 -","- C61 H63 Cl9 N4 O2 -","- C244 H252 Cl36 N16 O8 -","4","1","","Satake, Akira; Ishizawa, Yuki; Katagiri, Hiroshi; Kondo, Shin-Ichi","Chloride Selective Macrocyclic Bisurea Derivatives with 2,2'-Binaphthalene Moieties as Spacers.","The Journal of organic chemistry","2016","81","20","9848","9857","10.1021/acs.joc.6b01959","","","0.71075","MoKα","","0.0857","0.0767","","","0.2266","0.2368","","","","","","1.047","","","","has coordinates,has disorder","235934","2020-10-21","18:00:00",""
"4037314","8.6368","0.0002","12.3637","0.0003","27.5206","0.0007","90","","90","","90","","2938.73","0.12","270","2","270","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C19 H17 N O -","- C19 H17 N O -","- C152 H136 N8 O8 -","8","1","","Liu, Jing; Wei, Wei; Zhao, Ting; Liu, Xuanyu; Wu, Jie; Yu, Wenquan; Chang, Junbiao","Iodine/Copper Iodide-Mediated C-H Functionalization: Synthesis of Imidazo[1,2-a]pyridines and Indoles from N-Aryl Enamines.","The Journal of organic chemistry","2016","81","19","9326","9336","10.1021/acs.joc.6b01960","","","0.71073","MoKα","","0.0523","0.0446","","","0.1187","0.1237","","","","","","1.06","","","","has coordinates","235936","2020-10-21","18:00:00",""
"4037315","8.5724","0.0016","9.5217","0.0011","10.0248","0.0018","64.703","0.014","65.55","0.017","85.194","0.012","669.1","0.2","180","","180","","","","","","","","","6","P -1","-P 1","2","","diethyl (4-chloro-5H-pyrrolo[3,2-d]pyrimidin-6-yl)phosphonate","","- C10 H13 Cl N3 O3 P -","- C10 H13 Cl N3 O3 P -","- C20 H26 Cl2 N6 O6 P2 -","2","1","","Sabat, Nazarii; Poštová Slavětínská, Lenka; Klepetářová, Blanka; Hocek, Michal","C-H Phosphonation of Pyrrolopyrimidines: Synthesis of Substituted 7- and 9-Deazapurine-8-phosphonate Derivatives.","The Journal of organic chemistry","2016","81","19","9507","9514","10.1021/acs.joc.6b01970","","x-ray","1.54184","CuKα","","0.0998","0.0764","","0.0944","0.0647","0.0647","","","","","","1.3193","","","","has coordinates,has disorder","235938","2020-10-21","18:00:00",""
"4037316","7.8996","0.0004","8.2513","0.0004","10.2912","0.0004","93.736","0.003","97.778","0.004","91.382","0.004","662.85","0.05","180","","180","","","","","","","","","6","P -1","-P 1","2","","diethyl (4-chloro-7H-pyrrolo[2,3-d]pyrimidin-6-yl)phosphonate","","- C10 H13 Cl N3 O3 P -","- C10 H13 Cl N3 O3 P -","- C20 H26 Cl2 N6 O6 P2 -","2","1","","Sabat, Nazarii; Poštová Slavětínská, Lenka; Klepetářová, Blanka; Hocek, Michal","C-H Phosphonation of Pyrrolopyrimidines: Synthesis of Substituted 7- and 9-Deazapurine-8-phosphonate Derivatives.","The Journal of organic chemistry","2016","81","19","9507","9514","10.1021/acs.joc.6b01970","","x-ray","1.54184","CuKα","","0.0513","0.0454","","0.0629","0.0548","0.0548","","","","","","1.0633","","","","has coordinates","235939","2020-10-21","18:00:00",""
"4037317","8.221","0.003","10.018","0.003","10.186","0.004","113.6","0.02","94.47","0.03","109.16","0.02","704.6","0.5","293","","293","","","","","","","","","6","P -1","-P 1","2","","diethyl (2-amino-4-chloro-7H-pyrrolo[2,3-d]pyrimidin-6-yl)phosphonate","","- C10 H14 Cl N4 O3 P -","- C10 H14 Cl N4 O3 P -","- C20 H28 Cl2 N8 O6 P2 -","2","1","","Sabat, Nazarii; Poštová Slavětínská, Lenka; Klepetářová, Blanka; Hocek, Michal","C-H Phosphonation of Pyrrolopyrimidines: Synthesis of Substituted 7- and 9-Deazapurine-8-phosphonate Derivatives.","The Journal of organic chemistry","2016","81","19","9507","9514","10.1021/acs.joc.6b01970","","x-ray","0.71073","MoKα","","0.0999","0.0625","","0.1069","0.0553","0.0553","","","","","","1.1363","","","","has coordinates,has disorder","235941","2020-10-21","18:00:00",""
"4037318","7.0162","0.0004","9.8847","0.0006","20.6163","0.0013","90","","90","","90","","1429.8","0.15","108","","108","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C15 H24 O4 -","- C15 H24 O4 -","- C60 H96 O16 -","4","1","","Tao, Qiaoqiao; Ma, Ke; Yang, Yanlong; Wang, Kai; Chen, Baosong; Huang, Ying; Han, Junjie; Bao, Li; Liu, Xiao-Bin; Yang, Zhuliang; Yin, Wen-Bing; Liu, Hongwei","Bioactive Sesquiterpenes from the Edible Mushroom Flammulina velutipes and Their Biosynthetic Pathway Confirmed by Genome Analysis and Chemical Evidence.","The Journal of organic chemistry","2016","81","20","9867","9877","10.1021/acs.joc.6b01971","","","1.5418","CuKα","","0.0416","0.0405","","","0.1033","0.1045","","","","","","1.072","","","","has coordinates","235943","2020-10-21","18:00:00",""
"4037319","16.297","0.002","10.6491","0.0013","18.241","0.002","90","","98.884","0.003","90","","3127.7","0.6","133","2","133","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C18.33 H29.33 F N O2.33 S -","- C18.3333 H29.3333 F N O2.33333 S -","- C110 H176 F6 N6 O14 S6 -","6","3","","Li, Ya; Li, Xiang; Shang, Huaqi; Chen, Xiangyu; Ren, Xinfeng","Diastereoselective Mannich Reactions Using Fluorinated Ketones: Synthesis of Stereogenic Carbon-Fluorine Units.","The Journal of organic chemistry","2016","81","20","9858","9866","10.1021/acs.joc.6b01979","","","0.71073","MoKα","","0.0768","0.0537","","","0.1263","0.141","","","","","","1.024","","","","has coordinates","235945","2020-10-21","18:00:00",""
"4037320","7.926","0.008","10.565","0.01","11.841","0.012","90","","102.26","0.02","90","","968.9","1.7","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C21 H24 F N O2 S -","- C21 H24 F N O2 S -","- C42 H48 F2 N2 O4 S2 -","2","1","","Li, Ya; Li, Xiang; Shang, Huaqi; Chen, Xiangyu; Ren, Xinfeng","Diastereoselective Mannich Reactions Using Fluorinated Ketones: Synthesis of Stereogenic Carbon-Fluorine Units.","The Journal of organic chemistry","2016","81","20","9858","9866","10.1021/acs.joc.6b01979","","","0.71073","MoKα","","0.0618","0.0409","","","0.0808","0.0903","","","","","","1.003","","","","has coordinates","235947","2020-10-21","18:00:00",""
"4037321","6.0578","0.0013","8.7727","0.0018","19.173","0.004","90","","94.406","0.005","90","","1015.9","0.4","293","2","293","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C21 H23 Cl F N O2 S -","- C21 H23 Cl F N O2 S -","- C42 H46 Cl2 F2 N2 O4 S2 -","2","1","","Li, Ya; Li, Xiang; Shang, Huaqi; Chen, Xiangyu; Ren, Xinfeng","Diastereoselective Mannich Reactions Using Fluorinated Ketones: Synthesis of Stereogenic Carbon-Fluorine Units.","The Journal of organic chemistry","2016","81","20","9858","9866","10.1021/acs.joc.6b01979","","","0.71073","MoKα","","0.072","0.0509","","","0.1083","0.1191","","","","","","0.997","","","","has coordinates","235949","2020-10-21","18:00:00",""
"4037322","8.091","0.0008","12.068","0.0011","13.328","0.0012","75.317","0.001","73.664","0.001","80.916","0.002","1202.79","0.19","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C22.5 H14 Cl3 N5 O3 -","- C22.5 H14 Cl3 N5 O3 -","- C45 H28 Cl6 N10 O6 -","2","1","","Zhang, Tian-Shu; Xiong, Yan-Jie; Hao, Wen-Juan; Zhu, Xiao-Tong; Wang, Shu-Liang; Li, Guigen; Tu, Shu-Jiang; Jiang, Bo","DDQ-Mediated Three-Component Dioxygenation of Alkenes.","The Journal of organic chemistry","2016","81","19","9350","9355","10.1021/acs.joc.6b01988","","","0.71073","MoKα","","0.2414","0.1095","","","0.24","0.2868","","","","","","1.078","","","","has coordinates,has disorder","235950","2020-10-21","18:00:00",""
"4037323","6.7727","0.0002","8.6658","0.0003","10.6659","0.0003","94.639","0.001","90.573","0.001","99.566","0.001","615.09","0.03","173","2","173","2","","","","","","","","3","P -1","-P 1","2","","","","- C15 H20 O3 -","- C15 H20 O3 -","- C30 H40 O6 -","2","1","","Rycek, Lukas; Hayward, John J.; Latif, Marwa Abdel; Tanko, James; Simionescu, Razvan; Hudlicky, Tomas","Chemoenzymatic Total Synthesis of Hydromorphone by an Oxidative Dearomatization/Intramolecular [4 + 2] Cycloaddition Sequence: A Second-Generation Approach.","The Journal of organic chemistry","2016","81","22","10930","10941","10.1021/acs.joc.6b01990","","","1.54178","CuKα","","0.0403","0.0401","","","0.1049","0.1052","","","","","","1.07","","","","has coordinates","235952","2020-10-21","18:00:00",""
"4037324","7.2978","0.0002","14.6967","0.0003","18.417","0.0004","90","","98.629","0.001","90","","1952.93","0.08","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C22 H23 Br O4 -","- C22 H23 Br O4 -","- C88 H92 Br4 O16 -","4","2","","Rycek, Lukas; Hayward, John J.; Latif, Marwa Abdel; Tanko, James; Simionescu, Razvan; Hudlicky, Tomas","Chemoenzymatic Total Synthesis of Hydromorphone by an Oxidative Dearomatization/Intramolecular [4 + 2] Cycloaddition Sequence: A Second-Generation Approach.","The Journal of organic chemistry","2016","81","22","10930","10941","10.1021/acs.joc.6b01990","","","0.71073","MoKα","","0.0427","0.0313","","","0.0771","0.0819","","","","","","1.029","","","","has coordinates,has disorder","235953","2020-10-21","18:00:00",""
"4037325","11.9547","0.0016","9.8218","0.0014","11.9089","0.0015","90","","107.733","0.004","90","","1331.9","0.3","147","2","147","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C16 H18 O4 -","- C16 H18 O4 -","- C64 H72 O16 -","4","1","","Rycek, Lukas; Hayward, John J.; Latif, Marwa Abdel; Tanko, James; Simionescu, Razvan; Hudlicky, Tomas","Chemoenzymatic Total Synthesis of Hydromorphone by an Oxidative Dearomatization/Intramolecular [4 + 2] Cycloaddition Sequence: A Second-Generation Approach.","The Journal of organic chemistry","2016","81","22","10930","10941","10.1021/acs.joc.6b01990","","","0.71073","MoKα","","0.0593","0.0378","","","0.0829","0.0945","","","","","","1.03","","","","has coordinates","235955","2020-10-21","18:00:00",""
"4037326","13.5309","0.0019","12.5688","0.0019","10.2197","0.0015","90","","100.799","0.003","90","","1707.3","0.4","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H17 N O2 -","- C22 H17 N O2 -","- C88 H68 N4 O8 -","4","1","","Shao, Ying; Zeng, Yu-Mei; Ji, Jie-Ying; Sun, Xiao-Qiang; Yang, Hai-Tao; Miao, Chun-Bao","The Cs<sub>2</sub>CO<sub>3</sub>-Catalyzed Reaction of 2-Oxindoles with Enones for the Preparation of Indolin-3-Ones and Their Further Transformation.","The Journal of organic chemistry","2016","81","24","12443","12450","10.1021/acs.joc.6b01993","","","0.71073","MoKα","","0.0508","0.0413","","","0.1101","0.1176","","","","","","1.072","","","","has coordinates","235957","2020-10-21","18:00:00",""
"4037327","10.083","0.0012","13.0578","0.0016","15.4468","0.0019","90","","96.388","0.003","90","","2021.1","0.4","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H20 Cl N O3 -","- C24 H20 Cl N O3 -","- C96 H80 Cl4 N4 O12 -","4","1","","Shao, Ying; Zeng, Yu-Mei; Ji, Jie-Ying; Sun, Xiao-Qiang; Yang, Hai-Tao; Miao, Chun-Bao","The Cs<sub>2</sub>CO<sub>3</sub>-Catalyzed Reaction of 2-Oxindoles with Enones for the Preparation of Indolin-3-Ones and Their Further Transformation.","The Journal of organic chemistry","2016","81","24","12443","12450","10.1021/acs.joc.6b01993","","","0.71073","MoKα","","0.0685","0.0562","","","0.1696","0.1899","","","","","","1.032","","","","has coordinates","235959","2020-10-21","18:00:00",""
"4037328","7.4434","0.0005","8.143","0.0005","10.3466","0.0006","73.153","0.001","83.813","0.001","82.018","0.001","592.88","0.06","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H14 B N O2 -","- C14 H14 B N O2 -","- C28 H28 B2 N2 O4 -","2","1","","Saint-Louis, Carl Jacky; Magill, Lacey L.; Wilson, Julie A.; Schroeder, Andrew R.; Harrell, Sarah E.; Jackson, Nicolle S.; Trindell, Jamie A.; Kim, Saraphina; Fisch, Alexander R.; Munro, Lyndsay; Catalano, Vincent J.; Webster, Charles Edwin; Vaughan, Pamela P.; Molek, Karen S.; Schrock, Alan K.; Huggins, Michael T.","The Synthesis and Characterization of Highly Fluorescent Polycyclic Azaborine Chromophores.","The Journal of organic chemistry","2016","81","22","10955","10963","10.1021/acs.joc.6b01998","","","0.71073","MoKα","","0.0736","0.0579","","","0.1851","0.1953","","","","","","1.424","","","","has coordinates","235961","2020-10-21","18:00:00",""
"4037329","16.6112","0.0011","24.0764","0.0016","7.073","0.0005","90","","90","","90","","2828.8","0.3","100","2","100","2","","","","","","","","4","P c c n","-P 2ab 2ac","56","","","","- C17 H17 N O4 -","- C17 H17 N O4 -","- C136 H136 N8 O32 -","8","1","","Saint-Louis, Carl Jacky; Magill, Lacey L.; Wilson, Julie A.; Schroeder, Andrew R.; Harrell, Sarah E.; Jackson, Nicolle S.; Trindell, Jamie A.; Kim, Saraphina; Fisch, Alexander R.; Munro, Lyndsay; Catalano, Vincent J.; Webster, Charles Edwin; Vaughan, Pamela P.; Molek, Karen S.; Schrock, Alan K.; Huggins, Michael T.","The Synthesis and Characterization of Highly Fluorescent Polycyclic Azaborine Chromophores.","The Journal of organic chemistry","2016","81","22","10955","10963","10.1021/acs.joc.6b01998","","","0.71073","MoKα","","0.0637","0.044","","","0.1034","0.1108","","","","","","1.017","","","","has coordinates","235963","2020-10-21","18:00:00",""
"4037330","8.87379","0.0001","4.83007","0.00005","16.6309","0.00014","90","","90.2687","0.0008","90","","712.81","0.012","173","2","173","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C13 H17 Br Cl N O2 -","- C13 H17 Br Cl N O2 -","- C26 H34 Br2 Cl2 N2 O4 -","2","1","","Clarke, James; Bonney, Karl J.; Yaqoob, Muhammad; Solanki, Savade; Rzepa, Henry S.; White, Andrew J. P.; Millan, David S.; Braddock, D. Christopher","Epimeric Face-Selective Oxidations and Diastereodivergent Transannular Oxonium Ion Formation Fragmentations: Computational Modeling and Total Syntheses of 12-Epoxyobtusallene IV, 12-Epoxyobtusallene II, Obtusallene X, Marilzabicycloallene C, and Marilzabicycloallene D.","The Journal of organic chemistry","2016","81","20","9539","9552","10.1021/acs.joc.6b02008","","","1.54184","CuKα","","0.0238","0.0196","","","0.0425","0.0431","","","","","","0.952","","","","has coordinates","235965","2020-10-21","18:00:00",""
"4037331","9.9054","0.00009","16.3056","0.00013","17.66934","0.00016","90","","90","","90","","2853.84","0.04","173","2","173","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C13 H17 Br Cl N O2 -","- C13 H17 Br Cl N O2 -","- C104 H136 Br8 Cl8 N8 O16 -","8","2","","Clarke, James; Bonney, Karl J.; Yaqoob, Muhammad; Solanki, Savade; Rzepa, Henry S.; White, Andrew J. P.; Millan, David S.; Braddock, D. Christopher","Epimeric Face-Selective Oxidations and Diastereodivergent Transannular Oxonium Ion Formation Fragmentations: Computational Modeling and Total Syntheses of 12-Epoxyobtusallene IV, 12-Epoxyobtusallene II, Obtusallene X, Marilzabicycloallene C, and Marilzabicycloallene D.","The Journal of organic chemistry","2016","81","20","9539","9552","10.1021/acs.joc.6b02008","","","1.54184","CuKα","","0.0363","0.031","","","0.0713","0.0746","","","","","","1.036","","","","has coordinates","235965","2020-10-21","18:00:00",""
"4037332","10.8712","0.0002","12.2577","0.0003","15.5456","0.0003","90","","90.4588","0.0019","90","","2071.48","0.07","154.89","0.1","293","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C25 H19 I2 N -","- C25 H19 I2 N -","- C100 H76 I8 N4 -","4","1","","Wang, Jia; Zhu, Hai-Tao; Chen, Si; Xia, Yu; Jin, Dong-Po; Qiu, Yi-Feng; Li, Ying-Xiu; Liang, Yong-Min","Electrophilic Cyclization of Aryl Propargylic Alcohols: Synthesis of Dihalogenated 6,9-Dihydropyrido[1,2-a]indoles via a Cascade Iodocyclization.","The Journal of organic chemistry","2016","81","22","10975","10986","10.1021/acs.joc.6b02013","","x-ray","0.71073","MoKα","","0.0498","0.0359","","","0.0665","0.076","","","","","","1.072","","","","has coordinates","235967","2020-10-21","18:00:00",""
"4037333","10.8314","0.0006","12.0828","0.0005","15.5269","0.0006","90","","90.132","0.005","90","","2032.06","0.16","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C25 H19 Br I N -","- C25 H19 Br I N -","- C100 H76 Br4 I4 N4 -","4","1","","Wang, Jia; Zhu, Hai-Tao; Chen, Si; Xia, Yu; Jin, Dong-Po; Qiu, Yi-Feng; Li, Ying-Xiu; Liang, Yong-Min","Electrophilic Cyclization of Aryl Propargylic Alcohols: Synthesis of Dihalogenated 6,9-Dihydropyrido[1,2-a]indoles via a Cascade Iodocyclization.","The Journal of organic chemistry","2016","81","22","10975","10986","10.1021/acs.joc.6b02013","","x-ray","0.71073","MoKα","","0.0809","0.0454","","","0.0877","0.1054","","","","","","1.041","","","","has coordinates","235969","2020-10-21","18:00:00",""
"4037334","8.462","0.002","16.12","0.005","14.655","0.004","90","","90.551","0.015","90","","1999","1","293","2","293.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H20 N2 O2 S -","- C24 H20 N2 O2 S -","- C96 H80 N8 O8 S4 -","4","1","","Jash, Moumita; Das, Bimolendu; Chowdhury, Chinmay","One-Pot Access to Benzo[a]carbazoles via Palladium(II)-Catalyzed Hetero- and Carboannulations.","The Journal of organic chemistry","2016","81","22","10987","10999","10.1021/acs.joc.6b02022","","x-ray","0.71073","MoKα","","0.078","0.0444","","","0.1161","0.1327","","","","","","1.047","","","","has coordinates","235971","2020-10-21","18:00:00",""
"4037335","8.2771","0.0005","15.4988","0.001","14.6841","0.0009","90","","97.587","0.003","90","","1867.3","0.2","293","2","293.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C23 H16 F N O2 S -","- C23 H16 F N O2 S -","- C92 H64 F4 N4 O8 S4 -","4","1","","Jash, Moumita; Das, Bimolendu; Chowdhury, Chinmay","One-Pot Access to Benzo[a]carbazoles via Palladium(II)-Catalyzed Hetero- and Carboannulations.","The Journal of organic chemistry","2016","81","22","10987","10999","10.1021/acs.joc.6b02022","","x-ray","0.71073","MoKα","","0.0561","0.041","","","0.1076","0.1211","","","","","","1.022","","","","has coordinates","235973","2020-10-21","18:00:00",""
"4037336","28.4537","0.0007","28.4537","0.0007","10.8501","0.0007","90","","90","","90","","8784.4","0.6","293","2","293.15","","","","","","","","","5","I 41/a :2","-I 4ad","88","","","","- C25 H22 N2 O4 S -","- C25 H22 N2 O4 S -","- C400 H352 N32 O64 S16 -","16","1","","Jash, Moumita; Das, Bimolendu; Chowdhury, Chinmay","One-Pot Access to Benzo[a]carbazoles via Palladium(II)-Catalyzed Hetero- and Carboannulations.","The Journal of organic chemistry","2016","81","22","10987","10999","10.1021/acs.joc.6b02022","","","0.71073","MoKα","","0.1004","0.0459","","","0.119","0.1491","","","","","","0.991","","","","has coordinates","235975","2020-10-21","18:00:00",""
"4037337","12.1383","0.0002","18.1897","0.0004","7.0365","0.0002","90","","90","","90","","1553.6","0.06","123","2","123","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C19 H17 N O4 -","- C19 H17 N O4 -","- C76 H68 N4 O16 -","4","1","","Ku, Angela F.; Cuny, Gregory D.","Access to 6a-Alkyl Aporphines: Synthesis of (±)-N-Methylguattescidine.","The Journal of organic chemistry","2016","81","20","10062","10070","10.1021/acs.joc.6b02024","","","1.54178","CuKα","","0.0205","0.0203","","","0.0537","0.0541","","","","","","1.061","","","","has coordinates","235977","2020-10-21","18:00:00",""
"4037338","8.9615","0.0006","16.4652","0.0013","19.3782","0.0012","90","","90","","90","","2859.3","0.3","293","2","293.15","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C36 H26 Br N O3 -","- C36 H26 Br N O3 -","- C144 H104 Br4 N4 O12 -","4","1","","Xu, Jianfeng; Yuan, Shiru; Miao, Maozhong; Chen, Zhengkai","1-Hydroxybenzotriazole-Assisted, N-Heterocyclic Carbene Catalyzed β-Functionalization of Saturated Carboxylic Esters: Access to Spirooxindole Lactones.","The Journal of organic chemistry","2016","81","22","11454","11460","10.1021/acs.joc.6b02032","","","0.71073","MoKα","","0.0647","0.0393","","","0.0633","0.0717","","","","","","1.011","","","","has coordinates","235979","2020-10-21","18:00:00",""
"4037339","6.8459","0.0003","8.6718","0.0003","29.3079","0.0011","90","","90","","90","","1739.9","0.12","100","0.1","100","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C19 H19 N3 O5 -","- C19 H19 N3 O5 -","- C76 H76 N12 O20 -","4","1","","Dhurandhare, Vijay M.; Wen, Yuh-Sheng; Gawande, Sachin D.; Liao, Pin-Hsuan; Wang, Cheng-Chung","Synthesis of d-Galactosamine and d-Allosamine Derivatives via a Microwave-Assisted Preparation of 1,6-Anhydroglucosamine.","The Journal of organic chemistry","2016","81","22","11521","11528","10.1021/acs.joc.6b02038","","","0.71073","MoKα","","0.0421","0.0339","","","0.0709","0.0751","","","","","","1.043","","","","has coordinates","235981","2020-10-21","18:00:00",""
"4037340","9.4564","0.0002","11.1358","0.0002","20.344","0.0005","90","","90","","90","","2142.32","0.08","100","0.2","100","0.2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C14 H26 Cl3 N O5 Si2 -","- C14 H26 Cl3 N O5 Si2 -","- C56 H104 Cl12 N4 O20 Si8 -","4","1","","Dhurandhare, Vijay M.; Wen, Yuh-Sheng; Gawande, Sachin D.; Liao, Pin-Hsuan; Wang, Cheng-Chung","Synthesis of d-Galactosamine and d-Allosamine Derivatives via a Microwave-Assisted Preparation of 1,6-Anhydroglucosamine.","The Journal of organic chemistry","2016","81","22","11521","11528","10.1021/acs.joc.6b02038","","","0.71073","MoKα","","0.0254","0.0231","","","0.0524","0.0535","","","","","","1.026","","","","has coordinates","235983","2020-10-21","18:00:00",""
"4037341","10.7676","0.0004","6.1959","0.0002","13.8977","0.0005","90","","91.255","0.001","90","","926.96","0.06","100","0.2","100","0.2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C17 H18 Cl3 N O6 -","- C17 H18 Cl3 N O6 -","- C34 H36 Cl6 N2 O12 -","2","1","","Dhurandhare, Vijay M.; Wen, Yuh-Sheng; Gawande, Sachin D.; Liao, Pin-Hsuan; Wang, Cheng-Chung","Synthesis of d-Galactosamine and d-Allosamine Derivatives via a Microwave-Assisted Preparation of 1,6-Anhydroglucosamine.","The Journal of organic chemistry","2016","81","22","11521","11528","10.1021/acs.joc.6b02038","","","0.71073","MoKα","","0.0325","0.0288","","","0.0584","0.0603","","","","","","1.041","","","","has coordinates","235985","2020-10-21","18:00:00",""
"4037342","8.2257","0.0004","8.6177","0.0004","9.4412","0.0004","90","","105.591","0.003","90","","644.63","0.05","123","","123","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C14 H18 O5 -","- C14 H18 O5 -","- C28 H36 O10 -","2","1","","Gomes, José; Daeppen, Christophe; Liffert, Raphael; Roesslein, Joel; Kaufmann, Elias; Heikinheimo, Annakaisa; Neuburger, Markus; Gademann, Karl","Formal Total Synthesis of (-)-Jiadifenolide and Synthetic Studies toward seco-Prezizaane-Type Sesquiterpenes.","The Journal of organic chemistry","2016","81","22","11017","11034","10.1021/acs.joc.6b02039","","","0.71073","MoKα","","0.0484","0.036","","0.0476","0.0374","0.0357","","","","","","1.1258","","","","has coordinates","235988","2020-10-21","18:00:00",""
"4037343","7.7488","0.0002","11.5545","0.0003","13.9686","0.0004","90","","90","","90","","1250.66","0.06","173","","173","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C14 H16 O5 -","- C14 H16 O5 -","- C56 H64 O20 -","4","1","","Gomes, José; Daeppen, Christophe; Liffert, Raphael; Roesslein, Joel; Kaufmann, Elias; Heikinheimo, Annakaisa; Neuburger, Markus; Gademann, Karl","Formal Total Synthesis of (-)-Jiadifenolide and Synthetic Studies toward seco-Prezizaane-Type Sesquiterpenes.","The Journal of organic chemistry","2016","81","22","11017","11034","10.1021/acs.joc.6b02039","","","0.71073","MoKα","","0.0361","0.0308","","0.0469","0.035","0.0336","","","","","","1.0627","","","","has coordinates","235988","2020-10-21","18:00:00",""
"4037344","6.4095","0.0017","13.267","0.003","7.6203","0.0019","90","","110.13","0.012","90","","608.4","0.3","123","","123","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C14 H16 O4 -","- C14 H16 O4 -","- C28 H32 O8 -","2","1","","Gomes, José; Daeppen, Christophe; Liffert, Raphael; Roesslein, Joel; Kaufmann, Elias; Heikinheimo, Annakaisa; Neuburger, Markus; Gademann, Karl","Formal Total Synthesis of (-)-Jiadifenolide and Synthetic Studies toward seco-Prezizaane-Type Sesquiterpenes.","The Journal of organic chemistry","2016","81","22","11017","11034","10.1021/acs.joc.6b02039","","","0.71073","MoKα","","0.0834","0.0537","","0.0751","0.0554","0.0587","","","","","","1.1043","","","","has coordinates","235988","2020-10-21","18:00:00",""
"4037345","8.7432","0.0005","12.2122","0.0007","12.7131","0.0008","90","","90","","90","","1357.42","0.14","123","","123","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C14 H20 O6 -","- C14 H20 O6 -","- C56 H80 O24 -","4","1","","Gomes, José; Daeppen, Christophe; Liffert, Raphael; Roesslein, Joel; Kaufmann, Elias; Heikinheimo, Annakaisa; Neuburger, Markus; Gademann, Karl","Formal Total Synthesis of (-)-Jiadifenolide and Synthetic Studies toward seco-Prezizaane-Type Sesquiterpenes.","The Journal of organic chemistry","2016","81","22","11017","11034","10.1021/acs.joc.6b02039","","","0.71073","MoKα","","0.0399","0.0314","","0.0524","0.0339","0.0321","","","","","","1.0609","","","","has coordinates","235988","2020-10-21","18:00:00",""
"4037346","6.2741","0.0008","13.1986","0.0016","19.138","0.002","90","","90","","90","","1584.8","0.3","123","","123","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C15 H21 I O5 -","- C15 H21 I O5 -","- C60 H84 I4 O20 -","4","1","","Gomes, José; Daeppen, Christophe; Liffert, Raphael; Roesslein, Joel; Kaufmann, Elias; Heikinheimo, Annakaisa; Neuburger, Markus; Gademann, Karl","Formal Total Synthesis of (-)-Jiadifenolide and Synthetic Studies toward seco-Prezizaane-Type Sesquiterpenes.","The Journal of organic chemistry","2016","81","22","11017","11034","10.1021/acs.joc.6b02039","","","0.71073","MoKα","","0.0942","0.0603","","0.0628","0.0546","0.0541","","","","","","1.0854","","","","has coordinates","235988","2020-10-21","18:00:00",""
"4037347","7.3214","0.0004","9.0142","0.0006","10.445","0.0006","90","","95.474","0.003","90","","686.19","0.07","293","","293","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C15 H18 O5 -","- C15 H18 O5 -","- C30 H36 O10 -","2","1","","Gomes, José; Daeppen, Christophe; Liffert, Raphael; Roesslein, Joel; Kaufmann, Elias; Heikinheimo, Annakaisa; Neuburger, Markus; Gademann, Karl","Formal Total Synthesis of (-)-Jiadifenolide and Synthetic Studies toward seco-Prezizaane-Type Sesquiterpenes.","The Journal of organic chemistry","2016","81","22","11017","11034","10.1021/acs.joc.6b02039","","","1.54178","CuKα","","0.0348","0.0341","","0.0375","0.0351","0.0348","","","","","","1.1221","","","","has coordinates","235988","2020-10-21","18:00:00",""
"4037348","7.6753","0.0006","9.7959","0.0007","23.2215","0.0017","90","","90","","90","","1745.9","0.2","123","","123","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C17 H25 Cl O5 -","- C17 H25 Cl O5 -","- C68 H100 Cl4 O20 -","4","1","","Gomes, José; Daeppen, Christophe; Liffert, Raphael; Roesslein, Joel; Kaufmann, Elias; Heikinheimo, Annakaisa; Neuburger, Markus; Gademann, Karl","Formal Total Synthesis of (-)-Jiadifenolide and Synthetic Studies toward seco-Prezizaane-Type Sesquiterpenes.","The Journal of organic chemistry","2016","81","22","11017","11034","10.1021/acs.joc.6b02039","","","1.54178","CuKα","","0.0261","0.026","","0.0298","0.0298","0.0294","","","","","","1.0925","","","","has coordinates","235988","2020-10-21","18:00:00",""
"4037349","10.6723","0.0007","7.1954","0.0004","11.9267","0.0008","90","","110.456","0.004","90","","858.11","0.1","123","","123","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C17 H23 Cl O5 -","- C17 H23 Cl O5 -","- C34 H46 Cl2 O10 -","2","1","","Gomes, José; Daeppen, Christophe; Liffert, Raphael; Roesslein, Joel; Kaufmann, Elias; Heikinheimo, Annakaisa; Neuburger, Markus; Gademann, Karl","Formal Total Synthesis of (-)-Jiadifenolide and Synthetic Studies toward seco-Prezizaane-Type Sesquiterpenes.","The Journal of organic chemistry","2016","81","22","11017","11034","10.1021/acs.joc.6b02039","","","1.54178","CuKα","","0.0441","0.0413","","0.0487","0.0466","0.0461","","","","","","1.0949","","","","has coordinates","235988","2020-10-21","18:00:00",""
"4037350","7.162","0.0005","12.0359","0.0008","23.16","0.0014","90","","90","","90","","1996.4","0.2","123","","123","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C19 H25 Cl O7 -","- C19 H25 Cl O7 -","- C76 H100 Cl4 O28 -","4","1","","Gomes, José; Daeppen, Christophe; Liffert, Raphael; Roesslein, Joel; Kaufmann, Elias; Heikinheimo, Annakaisa; Neuburger, Markus; Gademann, Karl","Formal Total Synthesis of (-)-Jiadifenolide and Synthetic Studies toward seco-Prezizaane-Type Sesquiterpenes.","The Journal of organic chemistry","2016","81","22","11017","11034","10.1021/acs.joc.6b02039","","","1.54178","CuKα","","0.0295","0.0277","","0.0333","0.0312","0.0305","","","","","","1.0976","","","","has coordinates","235988","2020-10-21","18:00:00",""
"4037351","9.561","0.007","11.973","0.008","14.769","0.009","94.018","0.014","106.912","0.014","109.068","0.014","1503.1","1.8","200","2","200","2","","","","","","","","7","P -1","-P 1","2","","","","- C29 H23 Br2 Cl2 N O7 S -","- C29 H23 Br2 Cl2 N O7 S -","- C58 H46 Br4 Cl4 N2 O14 S2 -","2","1","","Chang, Geng-Hua; Wang, Chein-Yi; Madhusudhan Reddy, G.; Tsai, Yi-Ling; Lin, Wenwei","Enantioselective Synthesis of Polysubstituted Benzopyrano[3,4-c]pyrrolidine Frameworks via [3 + 2] Cycloaddition of Azomethine Ylides and Coumarin Derivatives.","The Journal of organic chemistry","2016","81","20","10071","10080","10.1021/acs.joc.6b02041","","","0.71073","MoKα","","0.0686","0.04","","","0.0877","0.1063","","","","","","1.012","","","","has coordinates","235991","2020-10-21","18:00:00",""
"4037352","8.6468","0.0004","28.2242","0.0013","11.8307","0.0005","90","","91.701","0.003","90","","2886","0.2","200","2","200","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C29 H23 Br2 N O9 -","- C29 H23 Br2 N O9 -","- C116 H92 Br8 N4 O36 -","4","2","","Chang, Geng-Hua; Wang, Chein-Yi; Madhusudhan Reddy, G.; Tsai, Yi-Ling; Lin, Wenwei","Enantioselective Synthesis of Polysubstituted Benzopyrano[3,4-c]pyrrolidine Frameworks via [3 + 2] Cycloaddition of Azomethine Ylides and Coumarin Derivatives.","The Journal of organic chemistry","2016","81","20","10071","10080","10.1021/acs.joc.6b02041","","","0.71073","MoKα","","0.0911","0.043","","","0.0618","0.0726","","","","","","0.941","","","","has coordinates","235993","2020-10-21","18:00:00",""
"4037353","18.565","0.001","14.7048","0.0007","18.3354","0.0009","90","","97.703","0.002","90","","4960.3","0.4","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C27 H21 Br2 N O6 -","- C27 H21 Br2 N O6 -","- C216 H168 Br16 N8 O48 -","8","1","","Chang, Geng-Hua; Wang, Chein-Yi; Madhusudhan Reddy, G.; Tsai, Yi-Ling; Lin, Wenwei","Enantioselective Synthesis of Polysubstituted Benzopyrano[3,4-c]pyrrolidine Frameworks via [3 + 2] Cycloaddition of Azomethine Ylides and Coumarin Derivatives.","The Journal of organic chemistry","2016","81","20","10071","10080","10.1021/acs.joc.6b02041","","","0.71073","MoKα","","0.0792","0.0425","","","0.0841","0.0971","","","","","","1.005","","","","has coordinates","235995","2020-10-21","18:00:00",""
"4037354","8.4545","0.0009","11.2672","0.0012","14.7983","0.0015","90","","90","","90","","1409.7","0.3","295","2","295","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C17 H18 O3 -","- C17 H18 O3 -","- C68 H72 O12 -","4","1","","Weng, Chia-Hao; Hsu, Day-Shin; Liao, Chun-Chen","Application of Carbohydrate-Templated Asymmetric Diels-Alder Reaction to the Syntheses of ent-Penicillones A and B.","The Journal of organic chemistry","2016","81","22","11421","11426","10.1021/acs.joc.6b02055","","","0.71073","MoKα","","0.0671","0.0432","","","0.0947","0.1056","","","","","","1.029","","","","has coordinates","235997","2020-10-21","18:00:00",""
"4037355","9.469","0.002","9.7437","0.0017","24.586","0.004","90","","90","","90","","2268.4","0.7","298","2","298","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","4-(5-((trimethylsilyl)oxy)-5H-dibenzo[a,d][7]annulen-5-yl)chroman-2-one","","- C27 H26 O3 Si -","- C27 H26 O3 Si -","- C108 H104 O12 Si4 -","4","1","","Kise, Naoki; Hamada, Yusuke; Sakurai, Toshihiko","Electroreductive Intermolecular Coupling of Coumarins with Benzophenones: Synthesis of 4-(2-Hydroxyphenyl)-5,5-diaryl-γ-butyrolactones, 2-(2,2-Diaryl-2,3-dihydrobenzofuran-3-yl)acetic Acids, and 4-(Diarylmethyl)coumarins.","The Journal of organic chemistry","2016","81","22","11043","11056","10.1021/acs.joc.6b02056","","","0.71075","MoKα","","0.0963","0.0447","","","0.0565","0.0622","","","","","","1.002","","","","has coordinates","235999","2020-10-21","18:00:00",""
"4037356","10.058","0.004","14.875","0.004","13.023","0.006","90","","105.939","0.012","90","","1873.5","1.3","298","2","298","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","4-(2-Hydroxyphenyl)-4-methyl-5,5-diphenyldihydrofuran-2(3H)-one","","- C23 H20 O3 -","- C23 H20 O3 -","- C92 H80 O12 -","4","1","","Kise, Naoki; Hamada, Yusuke; Sakurai, Toshihiko","Electroreductive Intermolecular Coupling of Coumarins with Benzophenones: Synthesis of 4-(2-Hydroxyphenyl)-5,5-diaryl-γ-butyrolactones, 2-(2,2-Diaryl-2,3-dihydrobenzofuran-3-yl)acetic Acids, and 4-(Diarylmethyl)coumarins.","The Journal of organic chemistry","2016","81","22","11043","11056","10.1021/acs.joc.6b02056","","","0.71075","MoKα","","0.1439","0.0522","","","0.1019","0.1221","","","","","","0.914","","","","has coordinates","236001","2020-10-21","18:00:00",""
"4037357","18.812","0.002","6.8495","0.0007","18.3943","0.0017","90","","48.205","0.003","90","","1767","0.3","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","4-(Hydroxydiphenylmethyl)-1-methyl-3,4-dihydroquinolin-2(1H)-one","","- C23 H21 N O2 -","- C23 H21 N O2 -","- C92 H84 N4 O8 -","4","1","","Kise, Naoki; Hamada, Yusuke; Sakurai, Toshihiko","Electroreductive Intermolecular Coupling of Coumarins with Benzophenones: Synthesis of 4-(2-Hydroxyphenyl)-5,5-diaryl-γ-butyrolactones, 2-(2,2-Diaryl-2,3-dihydrobenzofuran-3-yl)acetic Acids, and 4-(Diarylmethyl)coumarins.","The Journal of organic chemistry","2016","81","22","11043","11056","10.1021/acs.joc.6b02056","","","0.71075","MoKα","","0.1165","0.043","","","0.0663","0.0741","","","","","","1.002","","","","has coordinates","236003","2020-10-21","18:00:00",""
"4037358","9.538","0.005","9.716","0.003","11.544","0.004","110.185","0.017","91.33","0.03","114.823","0.016","893.4","0.7","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","4-(Bis(4-fluorophenyl)methylene)-3-methylchroman-2-one","","- C23 H16 F2 O2 -","- C23 H16 F2 O2 -","- C46 H32 F4 O4 -","2","1","","Kise, Naoki; Hamada, Yusuke; Sakurai, Toshihiko","Electroreductive Intermolecular Coupling of Coumarins with Benzophenones: Synthesis of 4-(2-Hydroxyphenyl)-5,5-diaryl-γ-butyrolactones, 2-(2,2-Diaryl-2,3-dihydrobenzofuran-3-yl)acetic Acids, and 4-(Diarylmethyl)coumarins.","The Journal of organic chemistry","2016","81","22","11043","11056","10.1021/acs.joc.6b02056","","","0.71075","MoKα","","0.0932","0.0419","","","0.0695","0.0755","","","","","","1.008","","","","has coordinates","236005","2020-10-21","18:00:00",""
"4037359","8.838","0.003","9.919","0.005","9.942","0.005","96.391","0.015","105.394","0.018","98.99","0.014","819.2","0.7","298","2","298","2","","","","","","","","3","P 1","P 1","1","","4-benzhydryl-2H-chromen-2-one","","- C22 H16 O2 -","- C22 H16 O2 -","- C44 H32 O4 -","2","2","","Kise, Naoki; Hamada, Yusuke; Sakurai, Toshihiko","Electroreductive Intermolecular Coupling of Coumarins with Benzophenones: Synthesis of 4-(2-Hydroxyphenyl)-5,5-diaryl-γ-butyrolactones, 2-(2,2-Diaryl-2,3-dihydrobenzofuran-3-yl)acetic Acids, and 4-(Diarylmethyl)coumarins.","The Journal of organic chemistry","2016","81","22","11043","11056","10.1021/acs.joc.6b02056","","","0.71075","MoKα","","0.1098","0.0627","","","0.1427","0.1596","","","","","","0.971","","","","has coordinates","236007","2020-10-21","18:00:00",""
"4037360","8.708","0.004","9.023","0.004","10.758","0.005","79.51","0.04","74.7","0.04","89.79","0.03","800.8","0.7","298","2","298","2","","","","","","","","3","P -1","-P 1","2","","4-(9H-Xanthen-9-yl)-2H-chromen-2-one","","- C22 H14 O3 -","- C22 H14 O3 -","- C44 H28 O6 -","2","1","","Kise, Naoki; Hamada, Yusuke; Sakurai, Toshihiko","Electroreductive Intermolecular Coupling of Coumarins with Benzophenones: Synthesis of 4-(2-Hydroxyphenyl)-5,5-diaryl-γ-butyrolactones, 2-(2,2-Diaryl-2,3-dihydrobenzofuran-3-yl)acetic Acids, and 4-(Diarylmethyl)coumarins.","The Journal of organic chemistry","2016","81","22","11043","11056","10.1021/acs.joc.6b02056","","","0.71075","MoKα","","0.1385","0.0725","","","0.1581","0.1817","","","","","","1.004","","","","has coordinates","236008","2020-10-21","18:00:00",""
"4037361","11.418","0.002","11.5134","0.0018","12.964","0.002","90","","90","","90","","1704.2","0.5","298","2","298","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","4-benzhydryl-3-methyl-2H-chromen-2-one","","- C23 H18 O2 -","- C23 H18 O2 -","- C92 H72 O8 -","4","1","","Kise, Naoki; Hamada, Yusuke; Sakurai, Toshihiko","Electroreductive Intermolecular Coupling of Coumarins with Benzophenones: Synthesis of 4-(2-Hydroxyphenyl)-5,5-diaryl-γ-butyrolactones, 2-(2,2-Diaryl-2,3-dihydrobenzofuran-3-yl)acetic Acids, and 4-(Diarylmethyl)coumarins.","The Journal of organic chemistry","2016","81","22","11043","11056","10.1021/acs.joc.6b02056","","","0.71075","MoKα","","0.0805","0.0369","","","0.0453","0.0479","","","","","","1.001","","","","has coordinates","236010","2020-10-21","18:00:00",""
"4037362","19.188","0.006","9.967","0.005","22.065","0.008","90","","117.29","0.02","90","","3750","3","298","2","298","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","2-(2,2-Bis(4-fluorophenyl)-3-methyl-2,3-dihydrobenzofuran- 3-yl)acetic acid","","- C23 H18 F2 O3 -","- C23 H17 F2 O3 -","- C184 H136 F16 O24 -","8","1","","Kise, Naoki; Hamada, Yusuke; Sakurai, Toshihiko","Electroreductive Intermolecular Coupling of Coumarins with Benzophenones: Synthesis of 4-(2-Hydroxyphenyl)-5,5-diaryl-γ-butyrolactones, 2-(2,2-Diaryl-2,3-dihydrobenzofuran-3-yl)acetic Acids, and 4-(Diarylmethyl)coumarins.","The Journal of organic chemistry","2016","81","22","11043","11056","10.1021/acs.joc.6b02056","","","0.71075","MoKα","","0.1225","0.0708","","","0.1726","0.1982","","","","","","1.029","","","","has coordinates","236012","2020-10-21","18:00:00",""
"4037363","9.196","0.002","12.205","0.003","17.211","0.003","109.982","0.01","94.427","0.009","99.724","0.01","1770.3","0.7","298","2","298","2","","","","","","","","3","P -1","-P 1","2","","4-(2-hydroxyphenyl)-5,5-diphenyldihydrofuran-2(3H)-one","","- C22 H18 O3 -","- C22 H18 O3 -","- C88 H72 O12 -","4","2","","Kise, Naoki; Hamada, Yusuke; Sakurai, Toshihiko","Electroreductive Intermolecular Coupling of Coumarins with Benzophenones: Synthesis of 4-(2-Hydroxyphenyl)-5,5-diaryl-γ-butyrolactones, 2-(2,2-Diaryl-2,3-dihydrobenzofuran-3-yl)acetic Acids, and 4-(Diarylmethyl)coumarins.","The Journal of organic chemistry","2016","81","22","11043","11056","10.1021/acs.joc.6b02056","","","0.71075","MoKα","","0.1387","0.0528","","","0.0841","0.0974","","","","","","1.008","","","","has coordinates","236014","2020-10-21","18:00:00",""
"4037364","6.933","0.002","8.677","0.003","16.275","0.005","93.46","0.03","91.74","0.02","109.99","0.03","917","0.5","298","2","298","2","","","","","","","","3","P -1","-P 1","2","","2-(3H-spiro[benzofuran-2,5'-dibenzo[a,d][7]annulen]-3-yl)acetic acid","","- C24 H18 O3 -","- C24 H18 O3 -","- C48 H36 O6 -","2","1","","Kise, Naoki; Hamada, Yusuke; Sakurai, Toshihiko","Electroreductive Intermolecular Coupling of Coumarins with Benzophenones: Synthesis of 4-(2-Hydroxyphenyl)-5,5-diaryl-γ-butyrolactones, 2-(2,2-Diaryl-2,3-dihydrobenzofuran-3-yl)acetic Acids, and 4-(Diarylmethyl)coumarins.","The Journal of organic chemistry","2016","81","22","11043","11056","10.1021/acs.joc.6b02056","","","0.71075","MoKα","","0.071","0.0455","","","0.1107","0.1188","","","","","","1.067","","","","has coordinates","236016","2020-10-21","18:00:00",""
"4037365","16.63","0.007","6.464","0.003","34.227","0.013","90","","94.57","0.04","90","","3668","3","298","2","298","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","2-(10',11'-Dihydro-3H-spiro[benzofuran-2,5'-dibenzo[a,d][7]annulen]- 3-yl)acetic acid","","- C24 H20 O3 -","- C24 H20 O3 -","- C192 H160 O24 -","8","1","","Kise, Naoki; Hamada, Yusuke; Sakurai, Toshihiko","Electroreductive Intermolecular Coupling of Coumarins with Benzophenones: Synthesis of 4-(2-Hydroxyphenyl)-5,5-diaryl-γ-butyrolactones, 2-(2,2-Diaryl-2,3-dihydrobenzofuran-3-yl)acetic Acids, and 4-(Diarylmethyl)coumarins.","The Journal of organic chemistry","2016","81","22","11043","11056","10.1021/acs.joc.6b02056","","","0.71075","MoKα","","0.0722","0.0434","","","0.0971","0.1057","","","","","","1.023","","","","has coordinates","236018","2020-10-21","18:00:00",""
"4037366","9.5474","0.0008","13.3245","0.0012","15.2278","0.0017","90","","94.942","0.004","90","","1930","0.3","298","2","298","2","","","","","","","","3","P 1 c 1","P -2yc","7","","(3'R*,4'S*)-3'-(2-hydroxyphenyl)-4'-methyl-3',4'-dihydro-5'H-spiro[dibenzo[a,d][7]annulene-5,2'-furan]-5'-one","","- C25 H20 O3 -","- C25 H20 O3 -","- C100 H80 O12 -","4","2","","Kise, Naoki; Hamada, Yusuke; Sakurai, Toshihiko","Electroreductive Intermolecular Coupling of Coumarins with Benzophenones: Synthesis of 4-(2-Hydroxyphenyl)-5,5-diaryl-γ-butyrolactones, 2-(2,2-Diaryl-2,3-dihydrobenzofuran-3-yl)acetic Acids, and 4-(Diarylmethyl)coumarins.","The Journal of organic chemistry","2016","81","22","11043","11056","10.1021/acs.joc.6b02056","","","0.71075","MoKα","","0.0807","0.0368","","","0.0484","0.0519","","","","","","1","","","","has coordinates","236020","2020-10-21","18:00:00",""
"4037367","14.9752","0.0018","15.4208","0.0017","17.234","0.002","90","","90","","90","","3979.8","0.8","298","2","298","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","(3R*,4S*)-5,5-bis(4-fluorophenyl)-4-(2-hydroxyphenyl)-3-methyldihydrofuran-2(3H)-one","","- C23 H18 F2 O3 -","- C23 H18 F2 O4 -","- C184 H144 F16 O32 -","8","1","","Kise, Naoki; Hamada, Yusuke; Sakurai, Toshihiko","Electroreductive Intermolecular Coupling of Coumarins with Benzophenones: Synthesis of 4-(2-Hydroxyphenyl)-5,5-diaryl-γ-butyrolactones, 2-(2,2-Diaryl-2,3-dihydrobenzofuran-3-yl)acetic Acids, and 4-(Diarylmethyl)coumarins.","The Journal of organic chemistry","2016","81","22","11043","11056","10.1021/acs.joc.6b02056","","","0.71075","MoKα","","0.1699","0.0454","","","0.0556","0.063","","","","","","1.033","","","","has coordinates","236022","2020-10-21","18:00:00",""
"4037368","7.369","0.015","14","0.03","18.06","0.05","106.5","0.2","100.9","0.2","100.08","0.15","1702","8","298","2","298","2","","","","","","","","3","P -1","-P 1","2","","4-(10,11-Dihydro-5H-dibenzo[a,d][7]annulen-5-yl)-3-methyl-2H-chromen-2-one","","- C25 H18 O2 -","- C25 H18 O2 -","- C100 H72 O8 -","4","2","","Kise, Naoki; Hamada, Yusuke; Sakurai, Toshihiko","Electroreductive Intermolecular Coupling of Coumarins with Benzophenones: Synthesis of 4-(2-Hydroxyphenyl)-5,5-diaryl-γ-butyrolactones, 2-(2,2-Diaryl-2,3-dihydrobenzofuran-3-yl)acetic Acids, and 4-(Diarylmethyl)coumarins.","The Journal of organic chemistry","2016","81","22","11043","11056","10.1021/acs.joc.6b02056","","","0.71075","MoKα","","0.1886","0.0668","","","0.0743","0.0883","","","","","","1.041","","","","has coordinates","236024","2020-10-21","18:00:00",""
"4037369","11.924","0.0011","10.4468","0.0009","14.0038","0.0012","90","","94.79","0.003","90","","1738.3","0.3","298","2","298","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","4-(5H-Dibenzo[a,d][7]annulen-5-yl)-2H-chromen-2-one","","- C24 H16 O2 -","- C24 H16 O2 -","- C96 H64 O8 -","4","1","","Kise, Naoki; Hamada, Yusuke; Sakurai, Toshihiko","Electroreductive Intermolecular Coupling of Coumarins with Benzophenones: Synthesis of 4-(2-Hydroxyphenyl)-5,5-diaryl-γ-butyrolactones, 2-(2,2-Diaryl-2,3-dihydrobenzofuran-3-yl)acetic Acids, and 4-(Diarylmethyl)coumarins.","The Journal of organic chemistry","2016","81","22","11043","11056","10.1021/acs.joc.6b02056","","","0.71075","MoKα","","0.1099","0.0522","","","0.0992","0.1137","","","","","","1.016","","","","has coordinates","236026","2020-10-21","18:00:00",""
"4037370","9.855","0.012","10.139","0.013","13.689","0.018","82.78","0.11","89.43","0.09","62.14","0.09","1198","3","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","4-(Bis(4-fluorophenyl)((trimethylsilyl)oxy)methyl)-4-methylchroman-2-one","","- C26 H26 F2 O3 Si -","- C26 H26 F2 O3 Si -","- C52 H52 F4 O6 Si2 -","2","1","","Kise, Naoki; Hamada, Yusuke; Sakurai, Toshihiko","Electroreductive Intermolecular Coupling of Coumarins with Benzophenones: Synthesis of 4-(2-Hydroxyphenyl)-5,5-diaryl-γ-butyrolactones, 2-(2,2-Diaryl-2,3-dihydrobenzofuran-3-yl)acetic Acids, and 4-(Diarylmethyl)coumarins.","The Journal of organic chemistry","2016","81","22","11043","11056","10.1021/acs.joc.6b02056","","","0.71075","MoKα","","0.0872","0.0461","","","0.0897","0.0975","","","","","","1.005","","","","has coordinates","236028","2020-10-21","18:00:00",""
"4037371","10.3861","0.001","10.3861","0.001","19.4684","0.0018","90","","90","","120","","1818.7","0.3","298","2","298","2","","","","","","","","4","P 31","P 31","144","","(3R*,4S*)-3-methyl-4-(5-((trimethylsilyl)oxy)-5H-dibenzo[a,d][7]annulen- 5-yl)chroman-2-one","","- C28 H28 O3 Si -","- C28 H28 O3 Si -","- C84 H84 O9 Si3 -","3","1","","Kise, Naoki; Hamada, Yusuke; Sakurai, Toshihiko","Electroreductive Intermolecular Coupling of Coumarins with Benzophenones: Synthesis of 4-(2-Hydroxyphenyl)-5,5-diaryl-γ-butyrolactones, 2-(2,2-Diaryl-2,3-dihydrobenzofuran-3-yl)acetic Acids, and 4-(Diarylmethyl)coumarins.","The Journal of organic chemistry","2016","81","22","11043","11056","10.1021/acs.joc.6b02056","","","0.71075","MoKα","","0.0892","0.0413","","","0.0536","0.0583","","","","","","1.004","","","","has coordinates","236030","2020-10-21","18:00:00",""
"4037372","14.206","0.004","17.517","0.005","15.368","0.003","90","","101.359","0.013","90","","3749.4","1.7","298","2","298","2","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","4-(10,11-Dihydro-5H-dibenzo[a,d][7]annulen-5-ylidene)-3-methylchroman-2-one","","- C25 H20 O2 -","- C25 H20 O2 -","- C200 H160 O16 -","8","2","","Kise, Naoki; Hamada, Yusuke; Sakurai, Toshihiko","Electroreductive Intermolecular Coupling of Coumarins with Benzophenones: Synthesis of 4-(2-Hydroxyphenyl)-5,5-diaryl-γ-butyrolactones, 2-(2,2-Diaryl-2,3-dihydrobenzofuran-3-yl)acetic Acids, and 4-(Diarylmethyl)coumarins.","The Journal of organic chemistry","2016","81","22","11043","11056","10.1021/acs.joc.6b02056","","","0.71075","MoKα","","0.2226","0.0502","","","0.0346","0.0422","","","","","","0.842","","","","has coordinates","236031","2020-10-21","18:00:00",""
"4037373","11.006","0.007","9.632","0.005","16.438","0.009","90","","101.05","0.02","90","","1710.3","1.7","298","2","298","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","4-(10,11-dihydro-5H-dibenzo[a,d][7]annulen-5-yl)-2H-chromen-2-one","","- C24 H18 O2 -","- C24 H18 O2 -","- C96 H72 O8 -","4","1","","Kise, Naoki; Hamada, Yusuke; Sakurai, Toshihiko","Electroreductive Intermolecular Coupling of Coumarins with Benzophenones: Synthesis of 4-(2-Hydroxyphenyl)-5,5-diaryl-γ-butyrolactones, 2-(2,2-Diaryl-2,3-dihydrobenzofuran-3-yl)acetic Acids, and 4-(Diarylmethyl)coumarins.","The Journal of organic chemistry","2016","81","22","11043","11056","10.1021/acs.joc.6b02056","","","0.71075","MoKα","","0.1203","0.0534","","","0.0962","0.1122","","","","","","0.993","","","","has coordinates","236033","2020-10-21","18:00:00",""
"4037374","9.966","0.004","15.177","0.006","15.388","0.005","90","","100.62","0.016","90","","2287.6","1.5","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","4-(Diphenyl((trimethylsilyl)oxy)methyl)-4-methylchroman-2-one","","- C26 H28 O3 Si -","- C26 H28 O3 Si -","- C104 H112 O12 Si4 -","4","1","","Kise, Naoki; Hamada, Yusuke; Sakurai, Toshihiko","Electroreductive Intermolecular Coupling of Coumarins with Benzophenones: Synthesis of 4-(2-Hydroxyphenyl)-5,5-diaryl-γ-butyrolactones, 2-(2,2-Diaryl-2,3-dihydrobenzofuran-3-yl)acetic Acids, and 4-(Diarylmethyl)coumarins.","The Journal of organic chemistry","2016","81","22","11043","11056","10.1021/acs.joc.6b02056","","","0.71075","MoKα","","0.2159","0.1134","","","0.3007","0.334","","","","","","1.022","","","","has coordinates","236034","2020-10-21","18:00:00",""
"4037375","13.968","0.005","15.996","0.004","13.8","0.004","90","","40.447","0.018","90","","2000.3","1.3","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Methyl (R*)-2-((S*)-2,2-bis(4-fluorophenyl)-2,3-dihydrobenzofuran-3-yl)propanoate","","- C24 H20 F2 O3 -","- C24 H20 F2 O3 -","- C96 H80 F8 O12 -","4","1","","Kise, Naoki; Hamada, Yusuke; Sakurai, Toshihiko","Electroreductive Intermolecular Coupling of Coumarins with Benzophenones: Synthesis of 4-(2-Hydroxyphenyl)-5,5-diaryl-γ-butyrolactones, 2-(2,2-Diaryl-2,3-dihydrobenzofuran-3-yl)acetic Acids, and 4-(Diarylmethyl)coumarins.","The Journal of organic chemistry","2016","81","22","11043","11056","10.1021/acs.joc.6b02056","","","0.71075","MoKα","","0.1722","0.0454","","","0.0483","0.0561","","","","","","1.003","","","","has coordinates","236036","2020-10-21","18:00:00",""
"4037376","9.3736","0.0019","9.757","0.002","11.672","0.002","73.534","0.01","89.493","0.01","67.705","0.01","941.3","0.3","298","2","298","2","","","","","","","","3","P 1","P 1","1","","(3R*,4S*)-4-(2-hydroxyphenyl)-3-methyl-5,5-diphenyldihydrofuran-2(3H)-one","","- C23 H20 O3 -","- C23 H20 O3.5 -","- C46 H40 O7 -","2","2","","Kise, Naoki; Hamada, Yusuke; Sakurai, Toshihiko","Electroreductive Intermolecular Coupling of Coumarins with Benzophenones: Synthesis of 4-(2-Hydroxyphenyl)-5,5-diaryl-γ-butyrolactones, 2-(2,2-Diaryl-2,3-dihydrobenzofuran-3-yl)acetic Acids, and 4-(Diarylmethyl)coumarins.","The Journal of organic chemistry","2016","81","22","11043","11056","10.1021/acs.joc.6b02056","","","0.71075","MoKα","","0.1235","0.0642","","","0.151","0.1655","","","","","","1.018","","","","has coordinates","236038","2020-10-21","18:00:00",""
"4037377","10.451","0.002","34.794","0.007","11.219","0.002","90","","104.42","0.03","90","","3951.1","1.4","113","2","113","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C22 H20 Cl N O5 -","- C22 H20 Cl N O5 -","- C176 H160 Cl8 N8 O40 -","8","4","","Chen, Shanren; Wang, Youming; Zhou, Zhenghong","Organocatalyzed Asymmetric Michael Addition of 1-Acetylindolin-3-ones to β,γ-Unsaturated α-Ketoesters: An Access to Chiral Indolin-3-ones with Two Adjacent Tertiary Stereogenic Centers.","The Journal of organic chemistry","2016","81","22","11432","11438","10.1021/acs.joc.6b02070","","","0.71073","MoKα","","0.0718","0.0553","","","0.1259","0.1378","","","","","","1.027","","","","has coordinates,has disorder","236040","2020-10-21","18:00:00",""
"4037378","10.2007","0.0014","7.0368","0.001","17.31","0.002","90","","99.542","0.002","90","","1225.3","0.3","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C14 H11 N3 O3 -","- C14 H11 N3 O3 -","- C56 H44 N12 O12 -","4","1","","Xu, Dongdong; Sun, Wen-Wu; Xie, Yanli; Liu, Ji-Kai; Liu, Bin; Zhou, Yingbi; Wu, Bin","Metal-Free Regioselective Hypervalent Iodine-Mediated C-2 and C-3 Difunctionalization of N-Substituted Indoles.","The Journal of organic chemistry","2016","81","22","11081","11094","10.1021/acs.joc.6b02078","","","0.71073","MoKα","","0.0427","0.0382","","","0.1067","0.1112","","","","","","1.031","","","","has coordinates","236042","2020-10-21","18:00:00",""
"4037379","12.794","0.0011","8.4331","0.0007","12.0362","0.001","90","","100.374","0.001","90","","1277.39","0.19","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H6 Cl3 N3 O -","- C12 H6 Cl3 N3 O -","- C48 H24 Cl12 N12 O4 -","4","1","","Xu, Dongdong; Sun, Wen-Wu; Xie, Yanli; Liu, Ji-Kai; Liu, Bin; Zhou, Yingbi; Wu, Bin","Metal-Free Regioselective Hypervalent Iodine-Mediated C-2 and C-3 Difunctionalization of N-Substituted Indoles.","The Journal of organic chemistry","2016","81","22","11081","11094","10.1021/acs.joc.6b02078","","","0.71073","MoKα","","0.0297","0.0275","","","0.0733","0.0746","","","","","","1.1","","","","has coordinates","236044","2020-10-21","18:00:00",""
"4037380","11.5675","0.0007","11.2489","0.0006","14.0766","0.0008","90","","110.77","0.003","90","","1712.63","0.17","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C21 H13 N3 O4 -","- C21 H13 N3 O4 -","- C84 H52 N12 O16 -","4","1","","Samanta, Sadhanendu; Mondal, Susmita; Santra, Sougata; Kibriya, Golam; Hajra, Alakananda","FeCl<sub>3</sub>-Catalyzed Cross-Dehydrogenative Coupling between Imidazoheterocycles and Oxoaldehydes.","The Journal of organic chemistry","2016","81","20","10088","10093","10.1021/acs.joc.6b02091","","","0.71073","MoKα","","0.0818","0.0601","","","0.1859","0.2163","","","","","","1.637","","","","has coordinates","236046","2020-10-21","18:00:00",""
"4037381","11.8416","0.0003","16.6527","0.0004","8.8363","0.0002","90","","107.638","0.002","90","","1660.56","0.07","296","2","296","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C21 H20 O3 -","- C21 H20 O3 -","- C84 H80 O12 -","4","1","","Nazir, Rashid; Stasyuk, Anton J.; Gryko, Daniel T.","Vertically π-Expanded Coumarins: The Synthesis and Optical Properties.","The Journal of organic chemistry","2016","81","22","11104","11114","10.1021/acs.joc.6b02094","","","1.54178","CuKα","","0.0805","0.0477","","","0.1232","0.1416","","","","","","0.994","","","","has coordinates","236049","2020-10-21","18:00:00",""
"4037382","9.8429","0.0004","15.4103","0.0007","15.007","0.0006","90","","101.052","0.004","90","","2234.08","0.17","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C27 H24 N2 O3 -","- C27 H24 N2 O3 -","- C108 H96 N8 O12 -","4","1","","Kumar, Sonu; Saunthwal, Rakesh K.; Mujahid, Mohammad; Aggarwal, Trapti; Verma, Akhilesh K.","Palladium-Catalyzed Intramolecular Fujiwara-Hydroarylation: Synthesis of Benzo[a]phenazines Derivatives.","The Journal of organic chemistry","2016","81","20","9912","9923","10.1021/acs.joc.6b02096","","","0.71073","MoKα","","0.0723","0.0585","","","0.1701","0.1799","","","","","","1.054","","","","has coordinates","236051","2020-10-21","18:00:00",""
"4037383","5.7605","0.0019","11.654","0.004","16.447","0.006","75.46","0.03","87.95","0.03","86.69","0.03","1066.7","0.7","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C26 H23 N3 O3 -","- C26 H23 N3 O3 -","- C52 H46 N6 O6 -","2","1","","Kumar, Sonu; Saunthwal, Rakesh K.; Mujahid, Mohammad; Aggarwal, Trapti; Verma, Akhilesh K.","Palladium-Catalyzed Intramolecular Fujiwara-Hydroarylation: Synthesis of Benzo[a]phenazines Derivatives.","The Journal of organic chemistry","2016","81","20","9912","9923","10.1021/acs.joc.6b02096","","","0.71073","MoKα","","0.1515","0.0615","","","0.1072","0.1456","","","","","","0.962","","","","has coordinates","236053","2020-10-21","18:00:00",""
"4037384","9.1891","0.0008","9.3749","0.0007","13.1478","0.0012","99.582","0.007","105.656","0.008","111.223","0.008","971.63","0.17","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C25 H20 N2 O3 -","- C25 H20 N2 O3 -","- C50 H40 N4 O6 -","2","1","","Kumar, Sonu; Saunthwal, Rakesh K.; Mujahid, Mohammad; Aggarwal, Trapti; Verma, Akhilesh K.","Palladium-Catalyzed Intramolecular Fujiwara-Hydroarylation: Synthesis of Benzo[a]phenazines Derivatives.","The Journal of organic chemistry","2016","81","20","9912","9923","10.1021/acs.joc.6b02096","","","0.71073","MoKα","","0.0596","0.0465","","","0.1207","0.13","","","","","","1.046","","","","has coordinates","236055","2020-10-21","18:00:00",""
"4037385","20.5051","0.0006","6.0462","0.0002","12.2496","0.0003","90","","96.572","0.002","90","","1508.7","0.08","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","SMHIX-057-2C","sarpong117","","- C17 H16 N2 O4 -","- C17 H16 N2 O4 -","- C68 H64 N8 O16 -","4","1","","Wilkerson-Hill, Sidney Malik; Sawano, Shota; Sarpong, Richmond","Bis(1-cyanovinyl acetate) Is a Linear Precursor to 3-Oxidopyrylium Ions.","The Journal of organic chemistry","2016","81","22","11132","11144","10.1021/acs.joc.6b02111","","","1.54178","CuKα","","0.0671","0.0492","","","0.1143","0.1234","","","","","","1.017","","","","has coordinates","236057","2020-10-21","18:00:00",""
"4037386","16.6129","0.0009","21.6105","0.0011","9.1858","0.0004","90","","90","","90","","3297.8","0.3","100","2","100","2","","","","","","","","4","P c c n","-P 2ab 2ac","56","SMHIX-077-1-Lrf","sarpong119","","- C17 H16 N2 O4 -","- C17 H16 N2 O4 -","- C136 H128 N16 O32 -","8","1","","Wilkerson-Hill, Sidney Malik; Sawano, Shota; Sarpong, Richmond","Bis(1-cyanovinyl acetate) Is a Linear Precursor to 3-Oxidopyrylium Ions.","The Journal of organic chemistry","2016","81","22","11132","11144","10.1021/acs.joc.6b02111","","","1.54178","CuKα","","0.0571","0.0472","","","0.1271","0.1353","","","","","","1.033","","","","has coordinates","236059","2020-10-21","18:00:00",""
"4037387","13.8124","0.0006","12.0304","0.0004","24.903","0.0012","90","","105.872","0.003","90","","3980.3","0.3","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","SMHIX-118C","sarpong120","","- C43 H38 Cl2 N4 O7 S2 -","- C43 H38 Cl2 N4 O7 S2 -","- C172 H152 Cl8 N16 O28 S8 -","4","1","","Wilkerson-Hill, Sidney Malik; Sawano, Shota; Sarpong, Richmond","Bis(1-cyanovinyl acetate) Is a Linear Precursor to 3-Oxidopyrylium Ions.","The Journal of organic chemistry","2016","81","22","11132","11144","10.1021/acs.joc.6b02111","","","1.54178","CuKα","","0.0974","0.0846","","","0.2324","0.2489","","","","","","1.045","","","","has coordinates","236061","2020-10-21","18:00:00",""
"4037388","14.4287","0.0004","20.8084","0.0006","20.8192","0.0006","90","","106.013","0.002","90","","6008.2","0.3","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","SMHVII-020C","sarpong81","","- C34 H34 N2 O7 -","- C34 H34 N2 O7 -","- C272 H272 N16 O56 -","8","2","","Wilkerson-Hill, Sidney Malik; Sawano, Shota; Sarpong, Richmond","Bis(1-cyanovinyl acetate) Is a Linear Precursor to 3-Oxidopyrylium Ions.","The Journal of organic chemistry","2016","81","22","11132","11144","10.1021/acs.joc.6b02111","","","1.54178","CuKα","","0.099","0.0896","","","0.2587","0.2705","","","","","","1.052","","","","has coordinates","236063","2020-10-21","18:00:00",""
"4037389","18.523","0.005","14.642","0.004","5.1195","0.0015","90","","90","","90","","1388.5","0.7","296","2","296","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C17 H11 Br N2 -","- C17 H11 Br N2 -","- C68 H44 Br4 N8 -","4","1","","Tan, Zhenda; Zhao, He; Zhou, Changjian; Jiang, Huanfeng; Zhang, Min","Aerobic Copper-Catalyzed Halocyclization of Methyl N-Heteroaromatics with Aliphatic Amines: Access to Functionalized Imidazo-Fused N-Heterocycles.","The Journal of organic chemistry","2016","81","20","9939","9946","10.1021/acs.joc.6b02117","","","0.71073","MoKα","","0.0927","0.053","","","0.1322","0.1622","","","","","","0.825","","","","has coordinates","236065","2020-10-21","18:00:00",""
"4037390","11.92","0.002","12.26","0.003","15.79","0.003","90","","90","","90","","2307.5","0.8","100","","100","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C21 H34 B2 Cl N O4 -","- C21 H34 B2 Cl N O4 -","- C84 H136 B8 Cl4 N4 O16 -","4","1","","Kaithal, Akash; Chatterjee, Basujit; Gunanathan, Chidambaram","Ruthenium-Catalyzed Selective Hydroboration of Nitriles and Imines.","The Journal of organic chemistry","2016","81","22","11153","11161","10.1021/acs.joc.6b02122","","x-ray","0.71073","MoKα","","0.0725","0.056","","","0.1383","0.1513","","","","","","1.029","","","","has coordinates","236067","2020-10-21","18:00:00",""
"4037391","6.206","0.005","10.587","0.005","22.58","0.005","90","","93.376","0.005","90","","1481","1.4","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C13 H13 Cl3 N2 O2 -","- C13 H13 Cl3 N2 O2 -","- C52 H52 Cl12 N8 O8 -","4","1","","Debbarma, Suvankar; Bera, Sourav Sekhar; Maji, Modhu Sudan","Cp*Rh(III)-Catalyzed Low Temperature C-H Allylation of N-Aryl-trichloro Acetimidamide.","The Journal of organic chemistry","2016","81","23","11716","11725","10.1021/acs.joc.6b02150","","","0.71069","MoKα","","0.0927","0.0583","","","0.1675","0.2051","","","","","","1.036","","","","has coordinates","236069","2020-10-21","18:00:00",""
"4037392","11.495","0.008","12.365","0.009","20.951","0.015","90","","90","","90","","2978","4","296.15","","296.15","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C18 H12 Cl N O2 -","- C18 H11.5 Cl N O2 -","- C144 H92 Cl8 N8 O16 -","8","2","","Yu, Yulan; Zhuang, Shengyi; Liu, Ping; Sun, Peipei","Cyanomethylation and Cyclization of Aryl Alkynoates with Acetonitrile under Transition-Metal-Free Conditions: Synthesis of 3-Cyanomethylated Coumarins.","The Journal of organic chemistry","2016","81","22","11489","11495","10.1021/acs.joc.6b02155","","","0.71073","MoKα","","0.1843","0.1494","","","0.3343","0.3614","","","","","","1.317","","","","has coordinates","253039","2020-10-21","18:00:00",""
"4037393","9.548","0.003","12.627","0.004","7.358","0.002","90","","109.129","0.003","90","","838.1","0.4","296","2","296.15","","","","","","","","","4","P 1 c 1","P -2yc","7","","","","- C23 H15 N O2 -","- C23 H15 N O2 -","- C46 H30 N2 O4 -","2","1","","Yu, Yulan; Zhuang, Shengyi; Liu, Ping; Sun, Peipei","Cyanomethylation and Cyclization of Aryl Alkynoates with Acetonitrile under Transition-Metal-Free Conditions: Synthesis of 3-Cyanomethylated Coumarins.","The Journal of organic chemistry","2016","81","22","11489","11495","10.1021/acs.joc.6b02155","","","0.71073","MoKα","","0.0264","0.0249","","","0.0647","0.0654","","","","","","1.04","","","","has coordinates","236072","2020-10-21","18:00:00",""
"4037394","6.3848","0.0016","20.457","0.005","16.933","0.004","90","","92.499","0.005","90","","2209.6","0.9","93","","93","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C52 H63 N5 O4 -","- C52 H63 N5 O4 -","- C104 H126 N10 O8 -","2","0.5","","Yamashita, Ken-Ichi; Kataoka, Kazuyuki; Takeuchi, Shouichi; Sugiura, Ken-Ichi","Metal-Free Synthesis of meso-Aminoporphyrins through Reduction of meso-Azidoporphyrins Generated in Situ by Nucleophilic Substitution Reactions of meso-Bromoporphyrins.","The Journal of organic chemistry","2016","81","22","11176","11184","10.1021/acs.joc.6b02159","","","0.71073","MoKα","","0.1633","0.0912","","","0.2728","0.3211","","","","","","1.02","","","","has coordinates,has disorder","236074","2020-10-21","18:00:00",""
"4037395","6.3593","0.001","20.462","0.003","16.964","0.003","90","","92.531","0.003","90","","2205.3","0.6","93","","93","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C52 H61 N5 Ni O4 -","- C52 H61 N5 Ni O4 -","- C104 H122 N10 Ni2 O8 -","2","0.5","","Yamashita, Ken-Ichi; Kataoka, Kazuyuki; Takeuchi, Shouichi; Sugiura, Ken-Ichi","Metal-Free Synthesis of meso-Aminoporphyrins through Reduction of meso-Azidoporphyrins Generated in Situ by Nucleophilic Substitution Reactions of meso-Bromoporphyrins.","The Journal of organic chemistry","2016","81","22","11176","11184","10.1021/acs.joc.6b02159","","","0.71073","MoKα","","0.1248","0.0776","","","0.2029","0.2556","","","","","","0.853","","","","has coordinates,has disorder","236074","2020-10-21","18:00:00",""
"4037396","6.3352","0.0004","20.2924","0.0012","17.032","0.001","90","","92.345","0.001","90","","2187.7","0.2","93","","93","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C52 H61 Cu N5 O4 -","- C52 H61 Cu N5 O4 -","- C104 H122 Cu2 N10 O8 -","2","0.5","","Yamashita, Ken-Ichi; Kataoka, Kazuyuki; Takeuchi, Shouichi; Sugiura, Ken-Ichi","Metal-Free Synthesis of meso-Aminoporphyrins through Reduction of meso-Azidoporphyrins Generated in Situ by Nucleophilic Substitution Reactions of meso-Bromoporphyrins.","The Journal of organic chemistry","2016","81","22","11176","11184","10.1021/acs.joc.6b02159","","","0.71073","MoKα","","0.0643","0.0519","","","0.1258","0.132","","","","","","1.117","","","","has coordinates,has disorder","236074","2020-10-21","18:00:00",""
"4037397","6.4215","0.0014","20.52","0.004","16.966","0.004","90","","92.56","0.004","90","","2233.4","0.8","153","","153","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C52 H61 N5 O4 Pd -","- C52 H61 N5 O4 Pd -","- C104 H122 N10 O8 Pd2 -","2","0.5","","Yamashita, Ken-Ichi; Kataoka, Kazuyuki; Takeuchi, Shouichi; Sugiura, Ken-Ichi","Metal-Free Synthesis of meso-Aminoporphyrins through Reduction of meso-Azidoporphyrins Generated in Situ by Nucleophilic Substitution Reactions of meso-Bromoporphyrins.","The Journal of organic chemistry","2016","81","22","11176","11184","10.1021/acs.joc.6b02159","","","0.71073","MoKα","","0.1271","0.0926","","","0.2567","0.2709","","","","","","1.108","","","","has coordinates,has disorder","236074","2020-10-21","18:00:00",""
"4037398","21.954","0.002","10.2145","0.0011","46.004","0.005","90","","101.588","0.002","90","","10106.1","1.8","93","","93","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C55 H68 N6 O4 -","- C55 H68 N6 O4 -","- C440 H544 N48 O32 -","8","2","","Yamashita, Ken-Ichi; Kataoka, Kazuyuki; Takeuchi, Shouichi; Sugiura, Ken-Ichi","Metal-Free Synthesis of meso-Aminoporphyrins through Reduction of meso-Azidoporphyrins Generated in Situ by Nucleophilic Substitution Reactions of meso-Bromoporphyrins.","The Journal of organic chemistry","2016","81","22","11176","11184","10.1021/acs.joc.6b02159","","","0.71073","MoKα","","0.2828","0.1173","","","0.2518","0.3371","","","","","","0.975","","","","has coordinates","236074","2020-10-21","18:00:00",""
"4037399","9.0184","0.0006","11.6977","0.0008","15.8224","0.001","90","","90","","90","","1669.18","0.19","296","2","296","2","","","","","","","synthesized","4","P 21 21 21","P 2ac 2ab","19","","(R,Z)-N-(3-Isopropyl-5-phenylthiazolidin-2-ylidene)aniline","","- C18 H20 N2 S -","- C18 H20 N2 S -","- C72 H80 N8 S4 -","4","1","","Sengoden, Mani; Irie, Ryo; Punniyamurthy, Tharmalingam","Enantiospecific Aluminum-Catalyzed (3+2) Cycloaddition of Unactivated Aziridines with Isothiocyanates.","The Journal of organic chemistry","2016","81","22","11508","11513","10.1021/acs.joc.6b02190","","","0.71073","MoKα","","0.1435","0.0817","","","0.2266","0.2662","","","","","","1.057","","","","has coordinates","236077","2020-10-21","18:00:00",""
"4037400","9.0561","0.0002","13.374","0.0003","14.87","0.0003","90","","90","","90","","1801","0.07","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C22 H20 N2 O3 -","- C22 H20 N2 O3 -","- C88 H80 N8 O12 -","4","1","","De, Subhadip; Das, Mrinal Kanti; Roy, Avishek; Bisai, Alakesh","Synthesis of 2-Oxindoles Sharing Vicinal All-Carbon Quaternary Stereocenters via Organocatalytic Aldol Reaction.","The Journal of organic chemistry","2016","81","24","12258","12274","10.1021/acs.joc.6b02195","","","0.71073","MoKα","","0.0406","0.0359","","","0.0882","0.0914","","","","","","1.266","","","","has coordinates","236080","2020-10-21","18:00:00",""
"4037401","12.50566","0.00018","7.58889","0.00009","22.4088","0.0004","90","","104.634","0.0016","90","","2057.7","0.06","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C25 H20 N4 Se -","- C25 H20 N4 Se -","- C100 H80 N16 Se4 -","4","1","","Funt, Liya D.; Tomashenko, Olesya A.; Khlebnikov, Alexander F.; Novikov, Mikhail S.; Ivanov, Alexander Yu","Synthesis, Transformations of Pyrrole- and 1,2,4-Triazole-Containing Ensembles, and Generation of Pyrrole-Substituted Triazole NHC.","The Journal of organic chemistry","2016","81","22","11210","11221","10.1021/acs.joc.6b02200","","x-ray","1.54184","CuKα","","0.0272","0.0248","","","0.0646","0.0663","","","","","","1.036","","","","has coordinates","236082","2020-10-21","18:00:00",""
"4037402","9.1541","0.0003","10.3631","0.0003","11.9229","0.0004","84.026","0.003","76.615","0.003","78.823","0.003","1077.39","0.06","67","40","67","40","","","","","","","","4","P -1","-P 1","2","","","","- C25 H21 Br N4 -","- C25 H21 Br N4 -","- C50 H42 Br2 N8 -","2","1","","Funt, Liya D.; Tomashenko, Olesya A.; Khlebnikov, Alexander F.; Novikov, Mikhail S.; Ivanov, Alexander Yu","Synthesis, Transformations of Pyrrole- and 1,2,4-Triazole-Containing Ensembles, and Generation of Pyrrole-Substituted Triazole NHC.","The Journal of organic chemistry","2016","81","22","11210","11221","10.1021/acs.joc.6b02200","","","0.71073","MoKα","","0.0327","0.0282","","","0.065","0.067","","","","","","1.051","","","","has coordinates","236084","2020-10-21","18:00:00",""
"4037403","9.251","0.0011","11.3325","0.0013","20.531","0.002","90","","90","","90","","2152.4","0.4","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C26 H21 N3 O -","- C26 H21 N3 O -","- C104 H84 N12 O4 -","4","1","","Wang, Cong-Shuai; Fan, Tao; Zhang, Hong-Hao; Li, Can; Shen, Yang; Mei, Guang-Jian; Shi, Feng","Gallium Bromide-Promoted Dearomative Indole Insertion in 3-Indolylmethanols: Chemoselective and (Z/E)-Selective Synthesis of 3,3'-Bisindole Derivatives.","The Journal of organic chemistry","2016","81","23","11734","11742","10.1021/acs.joc.6b02201","","","0.71073","MoKα","","0.0596","0.0396","","","0.0979","0.1095","","","","","","1.057","","","","has coordinates","236086","2020-10-21","18:00:00",""
"4037404","10.0804","0.0004","13.1042","0.0006","15.9458","0.0007","90","","105.516","0.002","90","","2029.6","0.15","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C26 H21 N3 O -","- C26 H21 N3 O -","- C104 H84 N12 O4 -","4","1","","Wang, Cong-Shuai; Fan, Tao; Zhang, Hong-Hao; Li, Can; Shen, Yang; Mei, Guang-Jian; Shi, Feng","Gallium Bromide-Promoted Dearomative Indole Insertion in 3-Indolylmethanols: Chemoselective and (Z/E)-Selective Synthesis of 3,3'-Bisindole Derivatives.","The Journal of organic chemistry","2016","81","23","11734","11742","10.1021/acs.joc.6b02201","","","0.71073","MoKα","","0.0774","0.049","","","0.1306","0.1539","","","","","","1.061","","","","has coordinates","236087","2020-10-21","18:00:00",""
"4037405","6.9864","0.0006","30.542","0.002","11.0261","0.0008","90","","106.329","0.008","90","","2257.8","0.3","100","2","100","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C23 H19 Cl N4 O2 Si -","- C23 H19 Cl N4 O2 Si -","- C92 H76 Cl4 N16 O8 Si4 -","4","1","","Golubev, Pavel; Karpova, Ekaterina A.; Pankova, Alena S.; Sorokina, Mariia; Kuznetsov, Mikhail A.","Regioselective Synthesis of 7-(Trimethylsilylethynyl)pyrazolo[1,5-a]pyrimidines via Reaction of Pyrazolamines with Enynones.","The Journal of organic chemistry","2016","81","22","11268","11275","10.1021/acs.joc.6b02217","","","0.71073","MoKα","","0.0362","0.0339","","","0.1052","0.1095","","","","","","0.884","","","","has coordinates","236089","2020-10-21","18:00:00",""
"4037406","17.068","0.003","11.049","0.002","16.748","0.003","90","","112.11","0.03","90","","2926.2","1.1","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C16 H17 N O4 -","- C16 H17 N O4 -","- C128 H136 N8 O32 -","8","1","","Hu, Weigao; Zheng, Jia; Li, Jianxiao; Liu, Bifu; Wu, Wanqing; Liu, Haiyang; Jiang, Huanfeng","Assembly of Polysubstituted Maleimides via Palladium-Catalyzed Cyclization Reaction of Alkynes with Isocyanides.","The Journal of organic chemistry","2016","81","24","12451","12458","10.1021/acs.joc.6b02227","","","0.71073","MoKα","","0.0563","0.038","","","0.1238","0.148","","","","","","1.108","","","","has coordinates","236091","2020-10-21","18:00:00",""
"4037407","26.5471","0.0007","10.0841","0.0003","27.9848","0.0008","90","","119.013","0.002","90","","6551.5","0.3","123","","123","","","","","","","","","2","C 1 2/c 1","-C 2yc","15","","","","- C47 H36 -","- C47 H36 -","- C376 H288 -","8","1","","Ravat, Prince; Ribar, Peter; Rickhaus, Michel; Häussinger, Daniel; Neuburger, Markus; Juríček, Michal","Spin-Delocalization in a Helical Open-Shell Hydrocarbon.","The Journal of organic chemistry","2016","81","24","12303","12317","10.1021/acs.joc.6b02246","","","1.34143","GaKα","","0.0418","0.035","","0.0477","0.0402","0.0397","","","","","","1.1027","","","","has coordinates","236097","2020-10-21","18:00:00",""
"4037408","6.3779","0.0003","19.36","0.0008","31.3111","0.0012","90","","90","","90","","3866.2","0.3","123","","123","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C29 H22 O -","- C29 H22 O -","- C232 H176 O8 -","8","2","","Ravat, Prince; Ribar, Peter; Rickhaus, Michel; Häussinger, Daniel; Neuburger, Markus; Juríček, Michal","Spin-Delocalization in a Helical Open-Shell Hydrocarbon.","The Journal of organic chemistry","2016","81","24","12303","12317","10.1021/acs.joc.6b02246","","","1.34143","GaKα","","0.0546","0.0311","","0.0353","0.0266","0.0309","","","","","","0.8938","","","","has coordinates,has disorder","236099","2020-10-21","18:00:00",""
"4037409","17.0118","0.0018","10.9267","0.0011","20.145","0.003","90","","90","","90","","3744.6","0.8","296","2","296","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C24 H23 N O2 -","- C24 H23 N O2 -","- C192 H184 N8 O16 -","8","1","","Hao, Wen-Juan; Gao, Qian; Jiang, Bo; Liu, Feng; Wang, Shu-Liang; Tu, Shu-Jiang; Li, Guigen","Base-Promoted [4 + 1]/[3 + 1 + 1] Bicyclization for Accessing Functionalized Indeno[1,2-c]furans.","The Journal of organic chemistry","2016","81","22","11276","11281","10.1021/acs.joc.6b02249","","","0.71073","MoKα","","0.1398","0.0641","","","0.123","0.1463","","","","","","1.026","","","","has coordinates,has disorder","236100","2020-10-21","18:00:00",""
"4037410","13.9787","0.0005","8.8699","0.0003","17.877","0.0006","90","","93.978","0.001","90","","2211.22","0.13","180","2","180","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C26 H19 N O3 S2 -","- C26 H19 N O3 S2 -","- C104 H76 N4 O12 S8 -","4","1","","Galangau, Olivier; Delbaere, Stéphanie; Ratel-Ramond, Nicolas; Rapenne, Gwénaël; Li, Ruiji; Calupitan, Jan Patrick Dela Cruz; Nakashima, Takuya; Kawai, Tsuyoshi","Dual Photochemical Bond Cleavage for a Diarylethene-Based Phototrigger Containing both Methanolic and Acetic Sources.","The Journal of organic chemistry","2016","81","22","11282","11290","10.1021/acs.joc.6b02256","","","0.71073","MoKα","","0.0678","0.0528","","","","0.1486","","","","","","1.012","","","","has coordinates","236102","2020-10-21","18:00:00",""
"4037411","10.7644","0.0005","16.2126","0.0007","24.4126","0.0013","90","","90","","90","","4260.5","0.4","180","2","180","2","","","","","","","","5","P b 21 a","P -2a -2ab","29","","","","- C25 H19 N O2 S2 -","- C25 H19 N O2 S2 -","- C200 H152 N8 O16 S16 -","8","2","","Galangau, Olivier; Delbaere, Stéphanie; Ratel-Ramond, Nicolas; Rapenne, Gwénaël; Li, Ruiji; Calupitan, Jan Patrick Dela Cruz; Nakashima, Takuya; Kawai, Tsuyoshi","Dual Photochemical Bond Cleavage for a Diarylethene-Based Phototrigger Containing both Methanolic and Acetic Sources.","The Journal of organic chemistry","2016","81","22","11282","11290","10.1021/acs.joc.6b02256","","","0.71073","MoKα","","0.0501","0.0384","","","","0.1126","","","","","","1.061","","","","has coordinates","250444","2020-10-21","18:00:00",""
"4037412","8.977","0.0003","10.9223","0.0004","11.4891","0.0004","90","","90.838","0.003","90","","1126.38","0.07","150","2","150","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C25 H36 O5 -","- C25 H36 O5 -","- C50 H72 O10 -","2","1","","Letort, Aurélien; Long, De-Liang; Prunet, Joëlle","Study of Cascade Ring-Closing Metathesis Reactions en Route to an Advanced Intermediate of Taxol.","The Journal of organic chemistry","2016","81","24","12318","12331","10.1021/acs.joc.6b02264","","","1.54178","CuKα","","0.0247","0.0246","","","0.0648","0.0649","","","","","","1.043","","","","has coordinates","236105","2020-10-21","18:00:00",""
"4037413","7.112","0.002","8.573","0.003","10.427","0.003","93.082","0.007","90.137","0.008","91.869","0.008","634.5","0.3","293","","293","2","","","","","","","see text","5","P -1","-P 1","2","","","","- C12 H11 N2 O4 P -","- C12 H11 N2 O4 P -","- C24 H22 N4 O8 P2 -","2","1","","Chaturvedi, Atul Kumar; Kant, Ruchir; Rastogi, Namrata","Access to the Phosphorylindenopyrazole Scaffold via a Metal-Free Domino Reaction of Diazoalkylphosphonates with 3-Bromophthalides.","The Journal of organic chemistry","2016","81","22","11291","11296","10.1021/acs.joc.6b02267","","","0.71075","MoKα","","0.0559","0.0509","","","0.1381","0.1428","","","","","","1.065","","","","has coordinates","236107","2020-10-21","18:00:00",""
"4037414","28.3091","0.001","23.6454","0.0008","5.2375","0.0001","90","","90","","90","","3505.88","0.18","293","1","293","1","","","","","","","","4","P 21 21 2","P 2 2ab","18","","","","- C31 H37 N5 O8 -","- C31 H37 N5 O8 -","- C124 H148 N20 O32 -","4","1","","Pušavec Kirar, Eva; Grošelj, Uroš; Golobič, Amalija; Požgan, Franc; Pusch, Stefan; Weber, Carina; Andernach, Lars; Štefane, Bogdan; Opatz, Till; Svete, Jurij","Absolute Configuration Determination of 2,3-Dihydro-1H,5H-pyrazolo[1,2-a]pyrazoles Using Chiroptical Methods at Different Wavelengths.","The Journal of organic chemistry","2016","81","23","11802","11812","10.1021/acs.joc.6b02270","","","1.5418","CuKα","","0.1005","0.0767","","","0.208","0.2311","","","","","","1.081","","","","has coordinates","236110","2020-10-21","18:00:00",""
"4037415","27.8709","0.0006","27.8709","0.0006","5.9519","0.0002","90","","90","","120","","4003.95","0.18","293","2","293","1","","","","","","","","4","P 65","P 65","170","","","","- C26 H28 N4 O6 -","- C26 H28 N4 O6 -","- C156 H168 N24 O36 -","6","1","","Pušavec Kirar, Eva; Grošelj, Uroš; Golobič, Amalija; Požgan, Franc; Pusch, Stefan; Weber, Carina; Andernach, Lars; Štefane, Bogdan; Opatz, Till; Svete, Jurij","Absolute Configuration Determination of 2,3-Dihydro-1H,5H-pyrazolo[1,2-a]pyrazoles Using Chiroptical Methods at Different Wavelengths.","The Journal of organic chemistry","2016","81","23","11802","11812","10.1021/acs.joc.6b02270","","","1.5418","CuKα","","0.0421","0.0374","","","0.1147","0.1192","","","","","","1.104","","","","has coordinates","236110","2020-10-21","18:00:00",""
"4037416","28.49","0.005","28.49","0.005","5.767","0.005","90","0.005","90","0.005","120","0.005","4054","4","293","2","293","2","","","","","","","","4","P 61","P 61","169","","","","- C26 H28 N4 O6 -","- C26 H28 N4 O6 -","- C156 H168 N24 O36 -","6","1","","Pušavec Kirar, Eva; Grošelj, Uroš; Golobič, Amalija; Požgan, Franc; Pusch, Stefan; Weber, Carina; Andernach, Lars; Štefane, Bogdan; Opatz, Till; Svete, Jurij","Absolute Configuration Determination of 2,3-Dihydro-1H,5H-pyrazolo[1,2-a]pyrazoles Using Chiroptical Methods at Different Wavelengths.","The Journal of organic chemistry","2016","81","23","11802","11812","10.1021/acs.joc.6b02270","","","0.71073","","","0.1622","0.1082","","","0.2051","0.2566","","","","","","1.256","","","","has coordinates","236110","2020-10-21","18:00:00",""
"4037417","9.407","0.0008","13.2405","0.0011","15.2351","0.0014","90","","90","","90","","1897.6","0.3","258","2","258","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C23 H18 O2 S -","- C23 H18 O2 S -","- C92 H72 O8 S4 -","4","1","","Gao, Wen-Chao; Liu, Tao; Zhang, Bing; Li, Xing; Wei, Wen-Long; Liu, Qiang; Tian, Jun; Chang, Hong-Hong","Synthesis of 3-Sulfenylated Coumarins: BF<sub>3</sub>·Et<sub>2</sub>O-Mediated Electrophilic Cyclization of Aryl Alkynoates Using N-Sulfanylsuccinimides.","The Journal of organic chemistry","2016","81","22","11297","11304","10.1021/acs.joc.6b02271","","","0.71073","MoKα","","0.0448","0.0356","","","0.0832","0.0889","","","","","","1.063","","","","has coordinates","236112","2020-10-21","18:00:00",""
"4037418","10.8372","0.0005","10.5719","0.0005","16.5469","0.0008","90","","90.413","0.001","90","","1895.73","0.16","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H18 Cl N3 O -","- C22 H18 Cl N3 O -","- C88 H72 Cl4 N12 O4 -","4","1","","Shakoor, S. M. Abdul; Kumari, Santosh; Khullar, Sadhika; Mandal, Sanjay K.; Kumar, Anil; Sakhuja, Rajeev","Ruthenium(II)-Catalyzed Regioselective Ortho Amidation of Imidazo Heterocycles with Isocyanates.","The Journal of organic chemistry","2016","81","24","12340","12349","10.1021/acs.joc.6b02282","","","0.71073","MoKα","","0.0637","0.046","","","0.1098","0.1202","","","","","","1.057","","","","has coordinates","236113","2020-10-21","18:00:00",""
"4037419","9.518","0.003","11.375","0.004","16.123","0.005","90","","91.368","0.005","90","","1745.1","1","296","2","296.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H23 F N2 O -","- C18 H23 F N2 O -","- C72 H92 F4 N8 O4 -","4","1","","He, Yan; Wang, Ying-Chun; Hu, Kun; Xu, Xiao-Ling; Wang, Heng-Shan; Pan, Ying-Ming","Palladium-Catalyzed Synthesis of 5-Iminopyrrolones through Isocyanide Double Insertion Reaction with Terminal Alkynes and Water.","The Journal of organic chemistry","2016","81","23","11813","11818","10.1021/acs.joc.6b02288","","","0.71073","MoKα","","0.0844","0.0697","","","0.1695","0.1892","","","","","","1.085","","","","has coordinates","236115","2020-10-21","18:00:00",""
"4037420","8.457","0.004","9.132","0.004","14.715","0.007","75.15","0.005","76.225","0.006","79.774","0.006","1058.6","0.8","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C40 H38 B2 Cl6 F4 N4 -","- C40 H38 B2 Cl6 F4 N4 -","- C40 H38 B2 Cl6 F4 N4 -","1","0.5","","Wang, Jun; Wu, Qinghua; Yu, Changjiang; Wei, Yun; Mu, Xiaolong; Hao, Erhong; Jiao, Lijuan","Aromatic Ring Fused BOPHYs as Stable Red Fluorescent Dyes.","The Journal of organic chemistry","2016","81","22","11316","11323","10.1021/acs.joc.6b02291","","","0.71073","MoKα","","0.1448","0.0781","","","0.2015","0.2429","","","","","","1.01","","","","has coordinates,has disorder","236117","2020-10-21","18:00:00",""
"4037421","20.9818","0.0003","8.85852","0.0001","8.04013","0.0001","90","","90","","90","","1494.4","0.03","123","","123","","","","","","","","","3","P c a 21","P 2c -2ac","29","","","","- C21 H17 N -","- C21 H17 N -","- C84 H68 N4 -","4","1","","Yamada, Shinji; Yamamoto, Natsuo; Takamori, Eri","Synthesis of Molecular Seesaw Balances and the Evaluation of Pyridinium-π Interactions.","The Journal of organic chemistry","2016","81","23","11819","11830","10.1021/acs.joc.6b02295","","","1.54187","CuKα","","0.0358","0.0328","","","0.0862","0.0896","","","","","","1.051","","","","has coordinates","236119","2020-10-21","18:00:00",""
"4037422","8.35321","0.00019","18.1932","0.0003","12.3367","0.0003","90","","109.572","0.0013","90","","1766.51","0.07","123","","123","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H20 I N -","- C22 H20 I N -","- C88 H80 I4 N4 -","4","1","","Yamada, Shinji; Yamamoto, Natsuo; Takamori, Eri","Synthesis of Molecular Seesaw Balances and the Evaluation of Pyridinium-π Interactions.","The Journal of organic chemistry","2016","81","23","11819","11830","10.1021/acs.joc.6b02295","","","1.54187","CuKα","","0.0456","0.0409","","","0.0977","0.1004","","","","","","1.06","","","","has coordinates","236119","2020-10-21","18:00:00",""
"4037423","11.207","","15.4001","","22.8622","","90","","104.655","","90","","3817.39","","123","","123","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C22 H19 Cl I N O0.5 -","- C22 H19 Cl I N O0.5 -","- C176 H152 Cl8 I8 N8 O4 -","8","2","","Yamada, Shinji; Yamamoto, Natsuo; Takamori, Eri","Synthesis of Molecular Seesaw Balances and the Evaluation of Pyridinium-π Interactions.","The Journal of organic chemistry","2016","81","23","11819","11830","10.1021/acs.joc.6b02295","","","1.54187","CuKα","","0.1144","0.0987","","","0.2494","0.2655","","","","","","1.045","","","","has coordinates","236119","2020-10-21","18:00:00",""
"4037424","13.9423","0.0004","12.4203","0.0004","10.2736","0.0003","90","","93.61","0.0015","90","","1775.52","0.09","296","","296","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C23 H22 N2 -","- C23 H22 N2 -","- C92 H88 N8 -","4","1","","Yamada, Shinji; Yamamoto, Natsuo; Takamori, Eri","Synthesis of Molecular Seesaw Balances and the Evaluation of Pyridinium-π Interactions.","The Journal of organic chemistry","2016","81","23","11819","11830","10.1021/acs.joc.6b02295","","","1.54187","CuKα","","0.1184","0.0786","","","0.2091","0.2908","","","","","","1.2","","","","has coordinates","236119","2020-10-21","18:00:00",""
"4037425","7.08828","0.00014","8.6929","0.0002","12.9545","0.0003","80.9586","0.0014","77.796","0.0015","69.4027","0.0013","727.32","0.03","123","","123","","","","","","","","","4","P -1","-P 1","2","","","","- C21 H17 N O -","- C21 H17 N O -","- C42 H34 N2 O2 -","2","1","","Yamada, Shinji; Yamamoto, Natsuo; Takamori, Eri","Synthesis of Molecular Seesaw Balances and the Evaluation of Pyridinium-π Interactions.","The Journal of organic chemistry","2016","81","23","11819","11830","10.1021/acs.joc.6b02295","","","1.54187","CuKα","","0.082","0.0647","","","0.1952","0.2123","","","","","","1.129","","","","has coordinates","236119","2020-10-21","18:00:00",""
"4037426","8.4704","0.0003","12.2155","0.0004","16.9196","0.0005","90","","90","","90","","1750.67","0.1","123","","123","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C23 H21 N O2 -","- C23 H21 N O2 -","- C92 H84 N4 O8 -","4","1","","Yamada, Shinji; Yamamoto, Natsuo; Takamori, Eri","Synthesis of Molecular Seesaw Balances and the Evaluation of Pyridinium-π Interactions.","The Journal of organic chemistry","2016","81","23","11819","11830","10.1021/acs.joc.6b02295","","","1.54187","CuKα","","0.0408","0.0383","","","0.084","0.0853","","","","","","1.042","","","","has coordinates","236119","2020-10-21","18:00:00",""
"4037427","11.7023","0.0008","14.8726","0.0009","7.8369","0.0005","90","","104.147","0.002","90","","1322.6","0.15","273","2","273","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C16 H16 O5 -","- C16 H16 O5 -","- C64 H64 O20 -","4","1","","Mal, Dipakranjan; Jana, Supriti","Transpositive Tandem Annulation of Phthalides with Allene Carboxylates: Regioselective Synthesis of Arylnaphthalene Lignans.","The Journal of organic chemistry","2016","81","23","11857","11865","10.1021/acs.joc.6b02313","","","0.71073","MoKα","","0.1027","0.068","","","0.1622","0.1826","","","","","","1.027","","","","has coordinates","236122","2020-10-21","18:00:00",""
"4037428","8.283","0.013","9.617","0.015","15.51","0.02","96.05","0.03","101.76","0.03","107.07","0.03","1138","3","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C28 H21 B F4 N2 O0 -","- C28 H21 B F4 N2 -","- C56 H42 B2 F8 N4 -","2","1","","Yang, Yuhan; Li, Bo; Liu, Wenmin; Zhang, Rumeng; Yu, Lintao; Ma, Qin-Ge; Lv, Rongrong; Du, Donghua; Li, Ting","Cp*Co<sup>III</sup>-Catalyzed Synthesis of Pyrido[2',1':2,3]pyrimido[1,6-a]indol-5-iums via Tandem C-H Activation and Subsequent Annulation from 1-(Pyridin-2-yl)-1H-indoles and Internal Alkynes.","The Journal of organic chemistry","2016","81","22","11335","11345","10.1021/acs.joc.6b02314","","","0.71073","MoKα","","0.1416","0.0774","","","0.2262","0.2757","","","","","","0.798","","","","has coordinates","236124","2020-10-21","18:00:00",""
"4037429","9.2233","0.0008","10.5382","0.0009","10.6723","0.0011","112.14","0.009","107.168","0.008","99.308","0.007","873.25","0.17","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H16 Cl N3 O2 -","- C20 H16 Cl N3 O2 -","- C40 H32 Cl2 N6 O4 -","2","1","","Lester, Roy P.; Bham, Travis; Bousfield, Thomas W.; Lewis, William; Camp, Jason E.","Exploring the Reactivity of 2-Trichloromethylbenzoxazoles for Access to Substituted Benzoxazoles.","The Journal of organic chemistry","2016","81","24","12472","12477","10.1021/acs.joc.6b02315","","x-ray","1.54184","CuKα","","0.0628","0.0538","","","0.1372","0.1463","","","","","","1.044","","","","has coordinates","236126","2020-10-21","18:00:00",""
"4037430","7.38358","0.0001","12.1552","0.0002","11.29082","0.00016","90","","97.5772","0.0013","90","","1004.49","0.03","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C8 H6 Cl3 N O2 -","- C8 H6 Cl3 N O2 -","- C32 H24 Cl12 N4 O8 -","4","1","","Lester, Roy P.; Bham, Travis; Bousfield, Thomas W.; Lewis, William; Camp, Jason E.","Exploring the Reactivity of 2-Trichloromethylbenzoxazoles for Access to Substituted Benzoxazoles.","The Journal of organic chemistry","2016","81","24","12472","12477","10.1021/acs.joc.6b02315","","x-ray","1.54184","CuKα","","0.0251","0.0245","","","0.0654","0.0658","","","","","","1.098","","","","has coordinates","236128","2020-10-21","18:00:00",""
"4037431","8.979","0.0014","9.3904","0.0011","10.0838","0.0016","92.525","0.012","107.455","0.014","111.917","0.013","740.7","0.2","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H20 Cl N3 O -","- C16 H20 Cl N3 O -","- C32 H40 Cl2 N6 O2 -","2","1","","Lester, Roy P.; Bham, Travis; Bousfield, Thomas W.; Lewis, William; Camp, Jason E.","Exploring the Reactivity of 2-Trichloromethylbenzoxazoles for Access to Substituted Benzoxazoles.","The Journal of organic chemistry","2016","81","24","12472","12477","10.1021/acs.joc.6b02315","","x-ray","1.54184","CuKα","","0.0451","0.0421","","","0.113","0.1161","","","","","","1.054","","","","has coordinates,has disorder","236130","2020-10-21","18:00:00",""
"4037432","11.3522","0.0005","8.1594","0.0003","20.5295","0.0008","90","","96.923","0.004","90","","1887.72","0.13","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C23 H17 N3 O2 S -","- C23 H17 N3 O2 S -","- C92 H68 N12 O8 S4 -","4","1","","Mannes, Philip Z.; Onyango, Evans O.; Gribble, Gordon W.","Synthesis of a Masked 2,3-Diaminoindole.","The Journal of organic chemistry","2016","81","24","12478","12481","10.1021/acs.joc.6b02318","","","1.54184","CuKα","","0.0503","0.0424","","","0.1064","0.113","","","","","","1.044","","","","has coordinates","236132","2020-10-21","18:00:00",""
"4037433","21.8061","0.0011","21.8061","0.0011","18.3306","0.0014","90","","90","","90","","8716.3","0.9","293","2","293","2","","","","","","","","5","I 41/a :2","-I 4ad","88","","","","- C24 H21 N O3 S -","- C24 H21 N O3 S -","- C384 H336 N16 O48 S16 -","16","1","","Li, Tengfei; Yan, Hao; Li, Xincheng; Wang, Chunxiang; Wan, Boshun","Ruthenium-Catalyzed [3 + 2] Cycloaddition of 2H-Azirines with Alkynes: Access to Polysubstituted Pyrroles.","The Journal of organic chemistry","2016","81","23","12031","12037","10.1021/acs.joc.6b02322","","","0.71073","MoKα","","0.1293","0.0814","","","0.2327","0.2829","","","","","","1.047","","","","has coordinates,has disorder","236134","2020-10-21","18:00:00",""
"4037434","11.6937","0.0018","17.642","0.003","10.9905","0.0016","90","","114.645","0.003","90","","2060.8","0.6","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C28 H21 N O2 -","- C28 H21 N O2 -","- C112 H84 N4 O8 -","4","1","","Li, Tengfei; Yan, Hao; Li, Xincheng; Wang, Chunxiang; Wan, Boshun","Ruthenium-Catalyzed [3 + 2] Cycloaddition of 2H-Azirines with Alkynes: Access to Polysubstituted Pyrroles.","The Journal of organic chemistry","2016","81","23","12031","12037","10.1021/acs.joc.6b02322","","","0.71073","MoKα","","0.0762","0.0468","","","0.1135","0.1278","","","","","","1.001","","","","has coordinates","236136","2020-10-21","18:00:00",""
"4037435","19.517","0.008","11.699","0.005","7.487","0.003","90","","93.387","0.007","90","","1706.5","1.2","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C24 H17 Br -","- C24 H17 Br -","- C96 H68 Br4 -","4","1","","Wang, Zhan-Yong; Ding, Ya-Li; Li, Shi-Ning; Cheng, Ying","N-Heterocyclic Carbene/Lewis Acid Dual Catalysis for the Divergent Construction of Enantiopure Bridged Lactones and Fused Indenes.","The Journal of organic chemistry","2016","81","23","11871","11881","10.1021/acs.joc.6b02329","","","0.71073","MoKα","","0.0751","0.0701","","","0.1788","0.1807","","","","","","1.3","","","","has coordinates,has disorder","236138","2020-10-21","18:00:00",""
"4037436","9.281","0.005","8.269","0.005","12.552","0.007","90","","98.586","0.009","90","","952.5","0.9","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C25 H19 Br O3 -","- C25 H19 Br O3 -","- C50 H38 Br2 O6 -","2","1","","Wang, Zhan-Yong; Ding, Ya-Li; Li, Shi-Ning; Cheng, Ying","N-Heterocyclic Carbene/Lewis Acid Dual Catalysis for the Divergent Construction of Enantiopure Bridged Lactones and Fused Indenes.","The Journal of organic chemistry","2016","81","23","11871","11881","10.1021/acs.joc.6b02329","","","0.71073","MoKα","","0.0445","0.0409","","","0.097","0.0985","","","","","","0.982","","","","has coordinates","236140","2020-10-21","18:00:00",""
"4037437","8.496","0.0002","8.7468","0.0002","10.9511","0.0002","89.127","0.001","74.606","0.001","71.042","0.001","739.8","0.03","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","'2,12-Dicarboethoxy-5,15-diethyl-8,8,18,18-tetramethylbacteriochlorin'","","- C34 H42 N4 O4 -","- C34 H42 N4 O4 -","- C34 H42 N4 O4 -","1","0.5","","Liu, Yizhou; Lindsey, Jonathan S.","Northern-Southern Route to Synthetic Bacteriochlorins.","The Journal of organic chemistry","2016","81","23","11882","11897","10.1021/acs.joc.6b02334","","","0.71073","MoKα","","0.0535","0.0431","","","0.1116","0.1216","","","","","","1.043","","","","has coordinates","236143","2020-10-21","18:00:00",""
"4037438","6.061","0.0002","10.9177","0.0003","11.638","0.0003","81.422","0.002","86.977","0.002","81.179","0.001","752.14","0.04","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","'5-(tert-Butoxycarbonyl)-(E)-2-[(4,4-dimethyl-5-oxodihydrofuran-2(3H)-ylidene)methyl]pyrrole'","","- C16 H21 N O4 -","- C16 H21 N O4 -","- C32 H42 N2 O8 -","2","1","","Liu, Yizhou; Lindsey, Jonathan S.","Northern-Southern Route to Synthetic Bacteriochlorins.","The Journal of organic chemistry","2016","81","23","11882","11897","10.1021/acs.joc.6b02334","","","0.71073","MoKα","","0.052","0.041","","","0.1071","0.1146","","","","","","1.045","","","","has coordinates","236145","2020-10-21","18:00:00",""
"4037439","13.9987","0.0005","9.7515","0.0004","14.8006","0.0006","90","","99.383","0.001","90","","1993.37","0.14","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","'4-Carboethoxy-3-ethyl-2-[(4,4-dimethyl-5-oxodihydrofuran-2(3H)-ylidene)(p-tolyl)methyl] pyrrole'","","- C23 H27 N O4 -","- C23 H27 N O4 -","- C92 H108 N4 O16 -","4","1","","Liu, Yizhou; Lindsey, Jonathan S.","Northern-Southern Route to Synthetic Bacteriochlorins.","The Journal of organic chemistry","2016","81","23","11882","11897","10.1021/acs.joc.6b02334","","","0.71073","MoKα","","0.0522","0.0437","","","0.1141","0.1205","","","","","","1.044","","","","has coordinates","236147","2020-10-21","18:00:00",""
"4037440","7.934","0.01","8.377","0.01","14.692","0.017","77.68","0.03","83.36","0.05","75.72","0.03","922.5","1.9","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","'2,12-Diethoxycarbonyl-8,8,18,18-tetramethyl-5,15-di-p-tolylbacteriochlorin'","","- C44 H46 N4 O4 -","- C44 H46 N4 O4 -","- C44 H46 N4 O4 -","1","0.5","","Liu, Yizhou; Lindsey, Jonathan S.","Northern-Southern Route to Synthetic Bacteriochlorins.","The Journal of organic chemistry","2016","81","23","11882","11897","10.1021/acs.joc.6b02334","","","0.71073","MoKα","","0.1013","0.0797","","","0.2129","0.232","","","","","","1.029","","","","has coordinates","236149","2020-10-21","18:00:00",""
"4037441","17.1594","0.0005","9.52","0.0003","13.9945","0.0004","90","","94.193","0.003","90","","2279.99","0.12","294.06","0.1","294.06","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H22 N2 O6 S2 -","- C24 H22 N2 O6 S2 -","- C96 H88 N8 O24 S8 -","4","1","","Xia, Xiao-Feng; Zhu, Su-Li; Liu, Jian-Biao; Wang, Dawei; Liang, Yong-Min","Copper-Catalyzed Radical-Promoted Aminocyclization of Acrylamides with N-Fluorobenzenesulfonimide.","The Journal of organic chemistry","2016","81","24","12482","12488","10.1021/acs.joc.6b02337","","x-ray","0.71073","MoKα","","0.0648","0.0458","","","0.1019","0.116","","","","","","1.051","","","","has coordinates","236151","2020-10-21","18:00:00",""
"4037442","9.7331","0.0007","10.0362","0.0007","10.1379","0.0007","84.043","0.003","81.838","0.003","75.748","0.003","947.65","0.12","120","","120","","","","","","","","","4","P -1","-P 1","2","","","","- C20 H27 N O5 -","- C20 H27 N O5 -","- C40 H54 N2 O10 -","2","1","","Baumann, Marcus; Baxendale, Ian R.","Diastereoselective Trifluoroacetylation of Highly Substituted Pyrrolidines by a Dakin-West Process.","The Journal of organic chemistry","2016","81","23","11898","11908","10.1021/acs.joc.6b02346","","x-ray","0.71073","MoKα","","0.0726","0.048","","","0.1153","0.1289","","","","","","1.023","","","","has coordinates","236154","2020-10-21","18:00:00",""
"4037443","19.8948","0.0009","9.9946","0.0005","23.9226","0.0011","90","","90","","90","","4756.8","0.4","120","","120","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C24 H30 F3 N O6 -","- C24 H30 F3 N O6 -","- C192 H240 F24 N8 O48 -","8","1","","Baumann, Marcus; Baxendale, Ian R.","Diastereoselective Trifluoroacetylation of Highly Substituted Pyrrolidines by a Dakin-West Process.","The Journal of organic chemistry","2016","81","23","11898","11908","10.1021/acs.joc.6b02346","","x-ray","0.71073","MoKα","","0.0645","0.0449","","","0.0998","0.1094","","","","","","1.033","","","","has coordinates,has disorder","236154","2020-10-21","18:00:00",""
"4037444","9.3392","0.0006","12.0373","0.0008","25.2796","0.0017","101.028","0.003","92.592","0.003","111.947","0.003","2565.9","0.3","120","","120","","","","","","","","","5","P -1","-P 1","2","","","","- C25 H28 F7 N O5 -","- C25 H28 F7 N O5 -","- C100 H112 F28 N4 O20 -","4","2","","Baumann, Marcus; Baxendale, Ian R.","Diastereoselective Trifluoroacetylation of Highly Substituted Pyrrolidines by a Dakin-West Process.","The Journal of organic chemistry","2016","81","23","11898","11908","10.1021/acs.joc.6b02346","","x-ray","0.71073","MoKα","","0.1057","0.0855","","","0.2158","0.2254","","","","","","1.086","","","","has coordinates,has disorder","236154","2020-10-21","18:00:00",""
"4037445","8.364","0.0004","11.4403","0.0008","21.0151","0.001","90","","90","","90","","2010.9","0.2","299","2","299","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C22 H29 Cl N2 O -","- C22 H29 Cl N2 O -","- C88 H116 Cl4 N8 O4 -","4","1","","Boratyński, Przemysław J; Kowalczyk, Rafał; Kobylańska, Anna; Bąkowicz, Julia","Tricyclic Quaternary Ammonium Salts Derived from Cinchona Alkaloids.","The Journal of organic chemistry","2016","81","24","12489","12493","10.1021/acs.joc.6b02348","","","0.71073","MoKα","","0.1059","0.062","","","0.1275","0.1497","","","","","","1.038","","","","has coordinates","236156","2020-10-21","18:00:00",""
"4037446","11.2233","0.001","8.5345","0.0008","18.1559","0.0017","90","","93.8485","0.0014","90","","1735.1","0.3","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H18 Br2 O -","- C19 H18 Br2 O -","- C76 H72 Br8 O4 -","4","1","","Schatz, Devon J.; Kwon, Yonghoon; Scully, Thomas W.; West, F. G.","Interrupting the Nazarov Cyclization with Bromine.","The Journal of organic chemistry","2016","81","24","12494","12498","10.1021/acs.joc.6b02350","","","0.71073","MoKα","","0.0448","0.0333","","","0.0761","0.0798","","","","","","1.023","","","","has coordinates","236158","2020-10-21","18:00:00",""
"4037447","7.0355","0.0018","7.546","0.003","22.72","0.011","90","","90","","90","","1206.2","0.8","150","","150","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","5-(m-tolyl)pyrido[2,3-e][1,2,4]triazolo[4,3-c]pyrimidine","","- C15 H11 N5 -","- C15 H11 N5 -","- C60 H44 N20 -","4","1","","Champiré, Anthony; Vala, Christine; Laabid, Achraf; Benharref, Ahmed; Marchivie, Mathieu; Plé, Karen; Routier, Sylvain","Controlled Dimroth Rearrangement in the Suzuki-Miyaura Cross Coupling of Triazolopyridopyrimidines.","The Journal of organic chemistry","2016","81","24","12506","12513","10.1021/acs.joc.6b02357","","","0.71073","MoKα","","0.049","0.038","","","0.0855","0.0899","","","","","","1.05","","","","has coordinates","236160","2020-10-21","18:00:00",""
"4037448","11.1186","0.0003","7.5404","0.0003","14.6472","0.0007","90","","96.123","0.003","90","","1221","0.08","150","","150","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","5-(m-tolyl)pyrido[2,3-e][1,2,4]triazolo[1,5-c]pyrimidine","","- C15 H11 N5 -","- C15 H11 N5 -","- C60 H44 N20 -","4","1","","Champiré, Anthony; Vala, Christine; Laabid, Achraf; Benharref, Ahmed; Marchivie, Mathieu; Plé, Karen; Routier, Sylvain","Controlled Dimroth Rearrangement in the Suzuki-Miyaura Cross Coupling of Triazolopyridopyrimidines.","The Journal of organic chemistry","2016","81","24","12506","12513","10.1021/acs.joc.6b02357","","","0.71073","MoKα","","0.0454","0.0374","","","0.0932","0.0978","","","","","","1.048","","","","has coordinates","236160","2020-10-21","18:00:00",""
"4037449","9.279","0.0006","9.4625","0.0005","12.2999","0.0008","77.479","0.005","82.454","0.005","62.81","0.006","937.13","0.11","295","2","295","2","","","","","","","","4","P -1","-P 1","2","","","","- C20 H21 N O6 -","- C20 H21 N O6 -","- C40 H42 N2 O12 -","2","1","","Obydennov, Dmitrii L.; Pan'kina, Ekaterina O.; Sosnovskikh, Vyacheslav Y.","Synthesis of Diketohexenoic Acid Derivatives by Alkenylation of Indoles and Pyrroles with 4-Pyrones.","The Journal of organic chemistry","2016","81","24","12532","12539","10.1021/acs.joc.6b02364","","","0.7107","MoKα","","0.102444","0.06013","","","","0.189314","","","","","","1.00216","","","","has coordinates","236162","2020-10-21","18:00:00",""
"4037450","9.1149","0.0006","9.5692","0.0007","10.4084","0.0006","75.458","0.005","70.092","0.006","70.295","0.007","794.03","0.1","150.01","0.1","150.01","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C16 H19 N O6 -","- C16 H19 N O6 -","- C32 H38 N2 O12 -","2","1","","Obydennov, Dmitrii L.; Pan'kina, Ekaterina O.; Sosnovskikh, Vyacheslav Y.","Synthesis of Diketohexenoic Acid Derivatives by Alkenylation of Indoles and Pyrroles with 4-Pyrones.","The Journal of organic chemistry","2016","81","24","12532","12539","10.1021/acs.joc.6b02364","","","0.7107","MoKα","","0.059","0.0462","","","0.1324","0.1445","","","","","","1.017","","","","has coordinates","236164","2020-10-21","18:00:00",""
"4037451","11.6977","0.0005","14.2227","0.0006","39.3907","0.0013","90","","90","","90","","6553.5","0.4","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C46 H30 N4 Ni -","- C46 H30 N4 Ni -","- C368 H240 N32 Ni8 -","8","2","","Sharma, Meenakshi; Banerjee, Subhadeep; Zeller, Matthias; Brückner, Christian","Fusion and Desulfurization Reactions of Thiomorpholinochlorins.","The Journal of organic chemistry","2016","81","24","12350","12356","10.1021/acs.joc.6b02383","","","1.54178","CuKα","","0.1072","0.0925","","","0.2389","0.2592","","","","","","1.021","","","","has coordinates,has disorder","236166","2020-10-21","18:00:00",""
"4037452","41.282","0.0005","41.282","0.0005","14.1626","0.0002","90","","90","","120","","20902.3","0.5","100","2","100","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C53.794 H48.186 N4 Ni S -","- C53.794 H48.186 N4 Ni S -","- C968.292 H867.348 N72 Ni18 S18 -","18","1","","Sharma, Meenakshi; Banerjee, Subhadeep; Zeller, Matthias; Brückner, Christian","Fusion and Desulfurization Reactions of Thiomorpholinochlorins.","The Journal of organic chemistry","2016","81","24","12350","12356","10.1021/acs.joc.6b02383","","","1.54178","CuKα","","0.0636","0.0622","","","0.1423","0.1432","","","","","","1.125","","","","has coordinates,has disorder","236168","2020-10-21","18:00:00",""
"4037453","13.8085","0.0004","19.1276","0.0003","14.6014","0.0004","90","","108.452","0.002","90","","3658.3","0.16","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C47 H32 Cl2 N4 Ni S -","- C47 H32 Cl2 N4 Ni S -","- C188 H128 Cl8 N16 Ni4 S4 -","4","1","","Sharma, Meenakshi; Banerjee, Subhadeep; Zeller, Matthias; Brückner, Christian","Fusion and Desulfurization Reactions of Thiomorpholinochlorins.","The Journal of organic chemistry","2016","81","24","12350","12356","10.1021/acs.joc.6b02383","","","1.54178","CuKα","","0.041","0.0394","","","0.0974","0.0986","","","","","","1.048","","","","has coordinates","236170","2020-10-21","18:00:00",""
"4037454","6.2873","0.0005","11.0497","0.0005","13.8394","0.0008","90","","93.003","0.006","90","","960.14","0.1","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C20 H15 Br N2 O4 -","- C20 H15 Br N2 O4 -","- C40 H30 Br2 N4 O8 -","2","1","","Li, Jiangtao; Qiu, Shuai; Ye, Xinyi; Zhu, Bo; Liu, Hongjun; Jiang, Zhiyong","Dipeptide-Based Chiral Tertiary Amine-Catalyzed Asymmetric Conjugate Addition Reactions of 5H-Thiazol/Oxazol-4-Ones.","The Journal of organic chemistry","2016","81","23","11916","11923","10.1021/acs.joc.6b02384","","x-ray","0.71073","MoKα","","0.0899","0.054","","","0.1045","0.1213","","","","","","1.026","","","","has coordinates","236171","2020-10-21","18:00:00",""
"4037455","6.41183","0.00015","10.9322","0.0002","25.7034","0.0005","90","","90","","90","","1801.69","0.06","291","2","291.15","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C20 H16 N2 O3 S -","- C20 H16 N2 O3 S -","- C80 H64 N8 O12 S4 -","4","1","","Li, Jiangtao; Qiu, Shuai; Ye, Xinyi; Zhu, Bo; Liu, Hongjun; Jiang, Zhiyong","Dipeptide-Based Chiral Tertiary Amine-Catalyzed Asymmetric Conjugate Addition Reactions of 5H-Thiazol/Oxazol-4-Ones.","The Journal of organic chemistry","2016","81","23","11916","11923","10.1021/acs.joc.6b02384","","","1.54184","CuKα","","0.0472","0.041","","","0.0993","0.1046","","","","","","1.05","","","","has coordinates","236173","2020-10-21","18:00:00",""
"4037456","12.3982","0.0002","12.8328","0.0002","20.8001","0.0004","90","","90","","90","","3309.37","0.1","90","","90","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C42 H36 N2 O6 -","- C42 H36 N2 O6 -","- C168 H144 N8 O24 -","4","0.5","","Shirasaki, Yoshinao; Okamoto, Yuta; Muranaka, Atsuya; Kamino, Shinichiro; Sawada, Daisuke; Hashizume, Daisuke; Uchiyama, Masanobu","Fused-Fluoran Leuco Dyes with Large Color-Change Derived from Two-Step Equilibrium: iso-Aminobenzopyranoxanthenes.","The Journal of organic chemistry","2016","81","23","12046","12051","10.1021/acs.joc.6b02403","","","0.71073","MoKα","","0.0825","0.047","","","0.107","0.1202","","","","","","1.036","","","","has coordinates","236175","2020-10-21","18:00:00",""
"4037457","7.715","0.0018","10.5292","0.0018","13.99","0.004","110.621","0.009","90.22","0.016","98.167","0.012","1051.1","0.4","90","","90","","","","","","","","","6","P -1","-P 1","2","","","","- C42 H46 B2 F8 N2 O10 -","- C42 H46 B2 F8 N2 O10 -","- C42 H46 B2 F8 N2 O10 -","1","0.5","","Shirasaki, Yoshinao; Okamoto, Yuta; Muranaka, Atsuya; Kamino, Shinichiro; Sawada, Daisuke; Hashizume, Daisuke; Uchiyama, Masanobu","Fused-Fluoran Leuco Dyes with Large Color-Change Derived from Two-Step Equilibrium: iso-Aminobenzopyranoxanthenes.","The Journal of organic chemistry","2016","81","23","12046","12051","10.1021/acs.joc.6b02403","","","0.71073","MoKα","","0.1191","0.0757","","","0.1997","0.2354","","","","","","1.035","","","","has coordinates,has disorder","236177","2020-10-21","18:00:00",""
"4037458","11.5905","0.0001","13.9651","0.0002","20.7905","0.0003","90","","90","","90","","3365.2","0.07","90","","90","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C42 H36 N2 O6 -","- C42 H36 N2 O6 -","- C168 H144 N8 O24 -","4","1","","Shirasaki, Yoshinao; Okamoto, Yuta; Muranaka, Atsuya; Kamino, Shinichiro; Sawada, Daisuke; Hashizume, Daisuke; Uchiyama, Masanobu","Fused-Fluoran Leuco Dyes with Large Color-Change Derived from Two-Step Equilibrium: iso-Aminobenzopyranoxanthenes.","The Journal of organic chemistry","2016","81","23","12046","12051","10.1021/acs.joc.6b02403","","","0.71073","MoKα","","0.0528","0.0394","","","0.091","0.0966","","","","","","1.043","","","","has coordinates","236179","2020-10-21","18:00:00",""
"4037459","24.1714","0.0006","15.5157","0.0004","12.1639","0.0003","90","","106.879","0.001","90","","4365.38","0.19","100","","100","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C26 H21 F3 N2 O2 -","- C26 H21 F3 N2 O2 -","- C208 H168 F24 N16 O16 -","8","1","","Torres, Gerardo M.; De La Higuera Macias, Maximiliano; Quesnel, Jeffrey S.; Williams, Oliver P.; Yempally, Veeranna; Bengali, Ashfaq A.; Arndtsen, Bruce A.","Palladium-Catalyzed, Multicomponent Approach to β-Lactams via Aryl Halide Carbonylation.","The Journal of organic chemistry","2016","81","24","12106","12115","10.1021/acs.joc.6b02405","","x-ray","1.34139","GaKα","","0.0536","0.0529","","","0.129","0.1298","","","","","","1.098","","","","has coordinates,has disorder","236181","2020-10-21","18:00:00",""
"4037460","19.1093","0.0013","5.5821","0.0002","11.6158","0.0004","90","","92.757","0.007","90","","1237.62","0.1","93","2","93","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C13 H19 N O2 -","- C13 H19 N O2 -","- C52 H76 N4 O8 -","4","1","","Bailey, William F.; Lambert, Kyle M.; Stempel, Zachary D.; Wiberg, Kenneth B.; Mercado, Brandon Q.","Controlling the Conformational Energy of a Phenyl Group by Tuning the Strength of a Nonclassical CH···O Hydrogen Bond: The Case of 5-Phenyl-1,3-dioxane.","The Journal of organic chemistry","2016","81","24","12116","12127","10.1021/acs.joc.6b02428","","","1.54178","CuKα","","0.035","0.0326","","","0.0879","0.0895","","","","","","1.094","","","","has coordinates","236183","2020-10-21","18:00:00",""
"4037461","11.2073","0.0008","11.4382","0.0008","20.9983","0.0015","90","","95.208","0.003","90","","2680.7","0.3","93","2","93","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C14 H19 Cl O2 -","- C14 H19 Cl O2 -","- C112 H152 Cl8 O16 -","8","2","","Bailey, William F.; Lambert, Kyle M.; Stempel, Zachary D.; Wiberg, Kenneth B.; Mercado, Brandon Q.","Controlling the Conformational Energy of a Phenyl Group by Tuning the Strength of a Nonclassical CH···O Hydrogen Bond: The Case of 5-Phenyl-1,3-dioxane.","The Journal of organic chemistry","2016","81","24","12116","12127","10.1021/acs.joc.6b02428","","","0.71073","MoKα","","0.0523","0.0374","","","0.0925","0.1026","","","","","","1.056","","","","has coordinates","236185","2020-10-21","18:00:00",""
"4037462","6.8354","0.0005","11.3494","0.001","12.139","0.0009","90","","104.352","0.002","90","","912.33","0.12","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C10 H9 N3 O -","- C10 H9 N3 O -","- C40 H36 N12 O4 -","4","1","","Castillo, Juan-Carlos; Estupiñan, Diego; Nogueras, Manuel; Cobo, Justo; Portilla, Jaime","6-(Aryldiazenyl)pyrazolo[1,5-a]pyrimidines as Strategic Intermediates for the Synthesis of Pyrazolo[5,1-b]purines.","The Journal of organic chemistry","2016","81","24","12364","12373","10.1021/acs.joc.6b02431","","","0.71073","MoKα","","0.0622","0.0548","","","0.1667","0.175","","","","","","1.048","","","","has coordinates","236187","2020-10-21","18:00:00",""
"4037463","12.8578","0.0005","13.6398","0.0006","9.0487","0.0004","90","","108.461","0.002","90","","1505.28","0.11","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C16 H15 F N2 O3 S -","- C16 H15 F N2 O3 S -","- C64 H60 F4 N8 O12 S4 -","4","1","","Maiden, Tracy M. M.; Swanson, Stephen; Procopiou, Panayiotis A.; Harrity, Joseph P. A.","Oxazoline-Promoted Rh-Catalyzed C-H Amidation of Benzene Derivatives with Sulfonamides and Trifluoroacetamide. A Comparative Study.","The Journal of organic chemistry","2016","81","22","10641","10650","10.1021/acs.joc.6b02481","","","0.71073","MoKα","","0.0439","0.0385","","","0.0975","0.1022","","","","","","1.027","","","","has coordinates","236190","2020-10-21","18:00:00",""
"4037464","8.3831","0.0008","8.4932","0.0009","11.0905","0.0011","72.025","0.002","81.176","0.002","67.159","0.002","691.69","0.12","295","2","295","2","","","","","","","","4","P -1","-P 1","2","","","","- C17 H17 F O2 -","- C17 H17 F O2 -","- C34 H34 F2 O4 -","2","1","","Cao, Ziping; Zhu, Hongbo; Meng, Xin; Tian, Laijin; Chen, Guang; Sun, Xuejun; You, Jinmao","Silver-Catalyzed Domino Reaction of ortho-Carbonylated Alkynyl-Substituted Arylaldehydes with Conjugated Dienes: Stereoselective Access to Indanone-Fused Cyclohexenes.","The Journal of organic chemistry","2016","81","24","12401","12407","10.1021/acs.joc.6b02529","","","0.71073","MoKα","","0.0525","0.0458","","","0.1223","0.1285","","","","","","1.045","","","","has coordinates","236192","2020-10-21","18:00:00",""
"4037465","10.1471","0.0004","10.2402","0.0004","18.237","0.0007","90","","90","","90","","1894.98","0.13","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","PH-5-110+98-A","","","- C20 H25 N O5 -","- C20 H25 N O5 -","- C80 H100 N4 O20 -","4","1","","Haghshenas, Pouyan; Quail, J. Wilson; Gravel, Michel","Substrate-Controlled Diastereoselectivity Reversal in NHC-Catalyzed Cross-Benzoin Reactions Using N-Boc-N-Bn-Protected α-Amino Aldehydes.","The Journal of organic chemistry","2016","81","24","12075","12083","10.1021/acs.joc.6b02568","","","0.71073","MoKα","","0.0308","0.0291","","","0.0753","0.0765","","","","","","1.028","","","","has coordinates","236194","2020-10-21","18:00:00",""
"4037466","8.4519","0.0004","6.8822","0.0003","10.8607","0.0005","90","","112.056","0.002","90","","585.51","0.05","296","2","296","2","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","","","- C14 H6 N O4 -","- C14 H6 N O4 -","- C28 H12 N2 O8 -","2","0.5","","Han, Sang Hoon; Kim, Saegun; De, Umasankar; Mishra, Neeraj Kumar; Park, Jihye; Sharma, Satyasheel; Kwak, Jong Hwan; Han, Sangil; Kim, Hyung Sik; Kim, In Su","Synthesis of Succinimide-Containing Chromones, Naphthoquinones, and Xanthones under Rh(III) Catalysis: Evaluation of Anticancer Activity.","The Journal of organic chemistry","2016","81","24","12416","12425","10.1021/acs.joc.6b02577","","","0.71073","MoKα","","0.1512","0.1113","","","0.3163","0.3601","","","","","","1.252","","","","has coordinates,has disorder","236196","2020-10-21","18:00:00",""
"4038954","8.596","0.0004","8.8154","0.0004","13.5747","0.0006","103.273","0.004","98.2","0.004","114.451","0.005","877.98","0.08","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C16 H18 O8 S -","- C16 H18 O8 S -","- C32 H36 O16 S2 -","2","1","","Vasin, V.A.; Bolusheva, I.Yu.; Razin, V.V.; Kapkaeva, S.R.; Petrov, P.S.; Somov, N.V.","Methyl (Z)-3-Bromo-3-(4-methylbenzenesulfonyl)prop-2-enoate: Synthesis and Reactions with Dimethyl Malonate and Methyl Acetoacetate","Russian Journal of Organic Chemistry","2016","52","3","299","306","10.1134/S1070428016030015","","x-ray","0.71073","MoKα","","0.0606","0.0454","","","0.1157","0.1257","","","","","","1.038","","","","has coordinates","269566","2021-10-05","10:01:09",""
"4038955","7.5598","0.0001","11.1503","0.0002","14.9186","0.0003","90","","90","","90","","1257.55","0.04","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C11 H11 Br O4 S -","- C11 H11 Br O4 S -","- C44 H44 Br4 O16 S4 -","4","1","","Vasin, V.A.; Bolusheva, I.Yu.; Razin, V.V.; Kapkaeva, S.R.; Petrov, P.S.; Somov, N.V.","Methyl (Z)-3-Bromo-3-(4-methylbenzenesulfonyl)prop-2-enoate: Synthesis and Reactions with Dimethyl Malonate and Methyl Acetoacetate","Russian Journal of Organic Chemistry","2016","52","3","299","306","10.1134/S1070428016030015","","x-ray","0.71073","MoKα","","0.0433","0.0354","","","0.0792","0.0829","","","","","","1.042","","","","has coordinates","269567","2021-10-05","10:01:30",""
"4086356","16.4907","0.0012","9.3901","0.0007","16.8718","0.0013","90","","118.327","0.002","90","","2299.7","0.3","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","Titanium","","","- C19 H37 B Cl2 N2 Ti -","- C19 H22 B Cl2 N2 Ti -","- C76 H88 B4 Cl8 N8 Ti4 -","4","1","","Chen, Yang; Fang, Xiangdong; Dan, Wenyan","1,2-Azaborolyl-Ligated Titanium(IV) Half-Metallocenes: Synthesis, Characterization, and Catalytic Activity in Ethylene Polymerization","Organometallics","2016","35","1","15","","10.1021/acs.organomet.5b00779","","","0.71073","MoKα","","0.0628","0.0546","","","0.1271","0.1303","","","","","","1.528","","","","has coordinates,has disorder","175812","2020-10-21","18:00:00",""
"4086357","8.5993","0.0002","14.5811","0.0004","19.6033","0.0005","90","","100.399","0.002","90","","2417.63","0.11","173","2","173","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","Titanium boron chloride","","","- C19 H40 B Cl2 N2 P Ti -","- C19 H40 B Cl2 N2 P Ti -","- C76 H160 B4 Cl8 N8 P4 Ti4 -","4","1","","Chen, Yang; Fang, Xiangdong; Dan, Wenyan","1,2-Azaborolyl-Ligated Titanium(IV) Half-Metallocenes: Synthesis, Characterization, and Catalytic Activity in Ethylene Polymerization","Organometallics","2016","35","1","15","","10.1021/acs.organomet.5b00779","","","0.71073","MoKα","","0.0756","0.0615","","","0.1405","0.1479","","","","","","1.102","","","","has coordinates","175812","2020-10-21","18:00:00",""
"4086358","6.6479","0.0003","17.3208","0.0009","13.0773","0.0007","90","","95.456","0.001","90","","1498.99","0.13","273","2","273","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C10 H19 B Cl3 N Ti -","- C10 H19 B Cl3 N Ti -","- C40 H76 B4 Cl12 N4 Ti4 -","4","1","","Chen, Yang; Fang, Xiangdong; Dan, Wenyan","1,2-Azaborolyl-Ligated Titanium(IV) Half-Metallocenes: Synthesis, Characterization, and Catalytic Activity in Ethylene Polymerization","Organometallics","2016","35","1","15","","10.1021/acs.organomet.5b00779","","","0.71073","MoKα","","0.0616","0.0404","","","0.0714","0.0775","","","","","","1.193","","","","has coordinates","175812","2020-10-21","18:00:00",""
"4086359","8.9218","0.0008","16.424","0.0014","14.3339","0.0013","90","","106.201","0.002","90","","2017","0.3","296","2","296","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C18 H28 B Cl2 N O Ti -","- C18 H28 B Cl2 N O Ti -","- C72 H112 B4 Cl8 N4 O4 Ti4 -","4","1","","Chen, Yang; Fang, Xiangdong; Dan, Wenyan","1,2-Azaborolyl-Ligated Titanium(IV) Half-Metallocenes: Synthesis, Characterization, and Catalytic Activity in Ethylene Polymerization","Organometallics","2016","35","1","15","","10.1021/acs.organomet.5b00779","","","0.71073","MoKα","","0.0638","0.0535","","","0.1081","0.1121","","","","","","1.265","","","","has coordinates","175812","2020-10-21","18:00:00",""
"4086360","6.6239","0.0005","12.6714","0.0008","7.725","0.0007","90","","106.865","0.008","90","","620.5","0.09","173","2","173","2","","","","","","","","6","P 1 21 1","P 2yb","4","Titanium boron nitride","","","- C7 H13 B Cl3 N Ti -","- C7 H13 B Cl3 N Ti -","- C14 H26 B2 Cl6 N2 Ti2 -","2","1","","Chen, Yang; Fang, Xiangdong; Dan, Wenyan","1,2-Azaborolyl-Ligated Titanium(IV) Half-Metallocenes: Synthesis, Characterization, and Catalytic Activity in Ethylene Polymerization","Organometallics","2016","35","1","15","","10.1021/acs.organomet.5b00779","","","0.71073","MoKα","","0.1569","0.0875","","","0.1986","0.2451","","","","","","1.03","","","","has coordinates","175812","2020-10-21","18:00:00",""
"4086361","29.391","0.007","12.383","0.003","17.599","0.004","90","","119.045","0.004","90","","5600","2","200","2","200","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C22 H46 B Cl2 N2 P Ti -","- C22 H46 B Cl2 N2 P Ti -","- C176 H368 B8 Cl16 N16 P8 Ti8 -","8","1","","Chen, Yang; Fang, Xiangdong; Dan, Wenyan","1,2-Azaborolyl-Ligated Titanium(IV) Half-Metallocenes: Synthesis, Characterization, and Catalytic Activity in Ethylene Polymerization","Organometallics","2016","35","1","15","","10.1021/acs.organomet.5b00779","","","0.71073","MoKα","","0.0675","0.0433","","","0.0991","0.1084","","","","","","1.145","","","","has coordinates","175812","2020-10-21","18:00:00",""
"4086362","26.299","0.0019","57.306","0.004","9.0152","0.0007","90","","90","","90","","13586.7","1.7","100","2","100","2","","","","","","","","7","F d d 2","F 2 -2d","43","","","","- C30 H57 Cl2 N O Os P2 -","- C30 H57 Cl2 N O Os P2 -","- C480 H912 Cl32 N16 O16 Os16 P32 -","16","1","","Casanova, Noelia; Esteruelas, Miguel A.; Gulías, Moisés; Larramona, Carmen; Mascareñas, José L; Oñate, Enrique","Amide-Directed Formation of Five-Coordinate Osmium Alkylidenes from Alkynes.","Organometallics","2016","35","2","91","99","10.1021/acs.organomet.5b00777","","","0.71073","MoKα","","0.047","0.0375","","","0.072","0.075","","","","","","1.05","","","","has coordinates","177429","2020-10-21","18:00:00",""
"4086363","8.849","0.002","12.11","0.003","19.188","0.005","93.888","0.004","92.002","0.004","105.872","0.004","1970.2","0.8","153","2","153","2","","","","","","","","7","P -1","-P 1","2","","","","- C31 H59 Cl6 N O Os P2 -","- C31 H59 Cl6 N O Os P2 -","- C62 H118 Cl12 N2 O2 Os2 P4 -","2","1","","Casanova, Noelia; Esteruelas, Miguel A.; Gulías, Moisés; Larramona, Carmen; Mascareñas, José L; Oñate, Enrique","Amide-Directed Formation of Five-Coordinate Osmium Alkylidenes from Alkynes.","Organometallics","2016","35","2","91","99","10.1021/acs.organomet.5b00777","","","0.71073","MoKα","","0.0581","0.0395","","","0.0689","0.0754","","","","","","1","","","","has coordinates","177429","2020-10-21","18:00:00",""
"4086364","15.774","0.004","13.012","0.003","20.173","0.005","90","","105.651","0.004","90","","3987","1.7","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C31 H59 Cl6 N O Os P2 -","- C31 H59 Cl6 N O Os P2 -","- C124 H236 Cl24 N4 O4 Os4 P8 -","4","1","","Casanova, Noelia; Esteruelas, Miguel A.; Gulías, Moisés; Larramona, Carmen; Mascareñas, José L; Oñate, Enrique","Amide-Directed Formation of Five-Coordinate Osmium Alkylidenes from Alkynes.","Organometallics","2016","35","2","91","99","10.1021/acs.organomet.5b00777","","","0.71073","MoKα","","0.0579","0.0356","","","0.0652","0.0719","","","","","","0.997","","","","has coordinates","177429","2020-10-21","18:00:00",""
"4086365","21.184","0.003","9.6719","0.0013","16.227","0.002","90","","125.504","0.002","90","","2706.6","0.6","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C22 H48 Cl2 Os P2 -","- C22 H48 Cl2 Os P2 -","- C88 H192 Cl8 Os4 P8 -","4","0.5","","Casanova, Noelia; Esteruelas, Miguel A.; Gulías, Moisés; Larramona, Carmen; Mascareñas, José L; Oñate, Enrique","Amide-Directed Formation of Five-Coordinate Osmium Alkylidenes from Alkynes.","Organometallics","2016","35","2","91","99","10.1021/acs.organomet.5b00777","","","0.71073","MoKα","","0.0231","0.0213","","","0.0477","0.0484","","","","","","1.039","","","","has coordinates","177429","2020-10-21","18:00:00",""
"4086366","9.6136","0.0008","23.5656","0.0019","12.2521","0.001","90","","110.219","0.003","90","","2604.7","0.4","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C31 H26 Cl P S Si -","- C31 H26 Cl P S Si -","- C124 H104 Cl4 P4 S4 Si4 -","4","1","","Molitor, Sebastian; Schwarz, Christopher; Gessner, Viktoria H.","Mono- and Bis-Cyclometalated Palladium Complexes: Synthesis, Characterization, and Catalytic Activity","Organometallics","2016","35","2","159","","10.1021/acs.organomet.5b00903","","","0.71073","MoKα","","0.0432","0.0339","","","0.0863","0.0911","","","","","","1.014","","","","has coordinates","175807","2020-10-21","18:00:00",""
"4086367","10.0668","0.0005","23.4116","0.0012","12.4898","0.0008","90","","112.127","0.002","90","","2726.8","0.3","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C31 H26 I P S Si -","- C31 H26 I P S Si -","- C124 H104 I4 P4 S4 Si4 -","4","1","","Molitor, Sebastian; Schwarz, Christopher; Gessner, Viktoria H.","Mono- and Bis-Cyclometalated Palladium Complexes: Synthesis, Characterization, and Catalytic Activity","Organometallics","2016","35","2","159","","10.1021/acs.organomet.5b00903","","","0.71073","MoKα","","0.0247","0.0207","","","0.043","0.0443","","","","","","1.067","","","","has coordinates","175807","2020-10-21","18:00:00",""
"4086368","8.6586","0.0004","12.4576","0.0005","16.964","0.0007","90","","103.642","0.001","90","","1778.21","0.13","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C16 H20 I P S Si -","- C16 H20 I P S Si -","- C64 H80 I4 P4 S4 Si4 -","4","1","","Molitor, Sebastian; Schwarz, Christopher; Gessner, Viktoria H.","Mono- and Bis-Cyclometalated Palladium Complexes: Synthesis, Characterization, and Catalytic Activity","Organometallics","2016","35","2","159","","10.1021/acs.organomet.5b00903","","","0.71073","MoKα","","0.0276","0.0217","","","0.0459","0.0486","","","","","","1.028","","","","has coordinates","175807","2020-10-21","18:00:00",""
"4086369","8.7025","0.0004","11.0106","0.0005","24.1632","0.0012","90","","90","","90","","2315.31","0.19","100","2","100","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C23 H27 Cl N P S Si -","- C23 H27 Cl N P S Si -","- C92 H108 Cl4 N4 P4 S4 Si4 -","4","1","","Molitor, Sebastian; Schwarz, Christopher; Gessner, Viktoria H.","Mono- and Bis-Cyclometalated Palladium Complexes: Synthesis, Characterization, and Catalytic Activity","Organometallics","2016","35","2","159","","10.1021/acs.organomet.5b00903","","","0.71073","MoKα","","0.0198","0.019","","","0.0499","0.0504","","","","","","1.05","","","","has coordinates","175807","2020-10-21","18:00:00",""
"4086370","10.9149","0.0007","11.5973","0.0007","11.6182","0.0007","107.644","0.002","94.044","0.002","95.38","0.002","1387.71","0.15","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C32 H28 Cl O P S Si -","- C32 H28 Cl O P S Si -","- C64 H56 Cl2 O2 P2 S2 Si2 -","2","1","","Molitor, Sebastian; Schwarz, Christopher; Gessner, Viktoria H.","Mono- and Bis-Cyclometalated Palladium Complexes: Synthesis, Characterization, and Catalytic Activity","Organometallics","2016","35","2","159","","10.1021/acs.organomet.5b00903","","","0.71073","MoKα","","0.0538","0.0379","","","0.0925","0.1","","","","","","1.044","","","","has coordinates","175807","2020-10-21","18:00:00",""
"4086371","12.3157","0.0005","18.9079","0.0009","19.9986","0.0009","90","","101.028","0.001","90","","4571","0.4","100","2","100","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C53 H49 Cl O P2 Pd S Si -","- C53 H49 Cl O P2 Pd S Si -","- C212 H196 Cl4 O4 P8 Pd4 S4 Si4 -","4","1","","Molitor, Sebastian; Schwarz, Christopher; Gessner, Viktoria H.","Mono- and Bis-Cyclometalated Palladium Complexes: Synthesis, Characterization, and Catalytic Activity","Organometallics","2016","35","2","159","","10.1021/acs.organomet.5b00903","","","0.71073","MoKα","","0.0331","0.0256","","","0.0602","0.0641","","","","","","1.032","","","","has coordinates,has disorder","175807","2020-10-21","18:00:00",""
"4086372","14.5364","0.0006","22.5509","0.0009","14.6238","0.0006","90","","94.143","0.001","90","","4781.3","0.3","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C56 H49 I P2 Pd S Si -","- C56 H49 I P2 Pd S Si -","- C224 H196 I4 P8 Pd4 S4 Si4 -","4","1","","Molitor, Sebastian; Schwarz, Christopher; Gessner, Viktoria H.","Mono- and Bis-Cyclometalated Palladium Complexes: Synthesis, Characterization, and Catalytic Activity","Organometallics","2016","35","2","159","","10.1021/acs.organomet.5b00903","","","0.71073","MoKα","","0.038","0.0264","","","0.049","0.0531","","","","","","1.017","","","","has coordinates","175807","2020-10-21","18:00:00",""
"4086373","11.989","0.005","12.008","0.005","13.579","0.006","81.286","0.014","66.326","0.013","65.501","0.013","1628.9","1.2","102","2","102","2","","","","","","","","7","P -1","-P 1","2","","","","- C34 H35 Cl P2 Pd S Si -","- C34 H35 Cl P2 Pd S Si -","- C68 H70 Cl2 P4 Pd2 S2 Si2 -","2","1","","Molitor, Sebastian; Schwarz, Christopher; Gessner, Viktoria H.","Mono- and Bis-Cyclometalated Palladium Complexes: Synthesis, Characterization, and Catalytic Activity","Organometallics","2016","35","2","159","","10.1021/acs.organomet.5b00903","","","0.71073","MoKα","","0.0581","0.0394","","","0.0796","0.0886","","","","","","1.018","","","","has coordinates","175807","2020-10-21","18:00:00",""
"4086374","10.6034","0.0003","12.6786","0.0004","13.9842","0.0004","89.381","0.001","74.26","0.001","68.635","0.001","1676.99","0.09","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C34 H35 I P2 Pd S Si -","- C34 H35 I P2 Pd S Si -","- C68 H70 I2 P4 Pd2 S2 Si2 -","2","1","","Molitor, Sebastian; Schwarz, Christopher; Gessner, Viktoria H.","Mono- and Bis-Cyclometalated Palladium Complexes: Synthesis, Characterization, and Catalytic Activity","Organometallics","2016","35","2","159","","10.1021/acs.organomet.5b00903","","","0.71073","MoKα","","0.0461","0.0312","","","0.0568","0.0626","","","","","","1.017","","","","has coordinates","175807","2020-10-21","18:00:00",""
"4086375","14.3169","0.0006","14.1808","0.0006","19.3002","0.0009","90","","101.058","0.002","90","","3845.7","0.3","100","2","100","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C41 H42 Cl N P2 Pd S Si -","- C41 H42 Cl N P2 Pd S Si -","- C164 H168 Cl4 N4 P8 Pd4 S4 Si4 -","4","1","","Molitor, Sebastian; Schwarz, Christopher; Gessner, Viktoria H.","Mono- and Bis-Cyclometalated Palladium Complexes: Synthesis, Characterization, and Catalytic Activity","Organometallics","2016","35","2","159","","10.1021/acs.organomet.5b00903","","","0.71073","MoKα","","0.0511","0.0336","","","0.0726","0.0796","","","","","","1.053","","","","has coordinates","175807","2020-10-21","18:00:00",""
"4086376","10.0666","0.0005","13.6344","0.0007","17.0318","0.0009","72.168","0.002","85.252","0.002","80.632","0.002","2194.3","0.2","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C50 H43 Cl O P2 Pd S Si -","- C50 H43 Cl O P2 Pd S Si -","- C100 H86 Cl2 O2 P4 Pd2 S2 Si2 -","2","1","","Molitor, Sebastian; Schwarz, Christopher; Gessner, Viktoria H.","Mono- and Bis-Cyclometalated Palladium Complexes: Synthesis, Characterization, and Catalytic Activity","Organometallics","2016","35","2","159","","10.1021/acs.organomet.5b00903","","","0.71073","MoKα","","0.0539","0.0355","","","0.0682","0.0759","","","","","","1.017","","","","has coordinates","175807","2020-10-21","18:00:00",""
"4086377","25.8179","0.0013","11.4035","0.0006","27.4898","0.0014","90","","93.816","0.001","90","","8075.4","0.7","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C49 H40 P2 Pd S Si -","- C49 H40 P2 Pd S Si -","- C392 H320 P16 Pd8 S8 Si8 -","8","2","","Molitor, Sebastian; Schwarz, Christopher; Gessner, Viktoria H.","Mono- and Bis-Cyclometalated Palladium Complexes: Synthesis, Characterization, and Catalytic Activity","Organometallics","2016","35","2","159","","10.1021/acs.organomet.5b00903","","","0.71073","MoKα","","0.0356","0.0277","","","0.0663","0.0705","","","","","","1.032","","","","has coordinates,has disorder","175807","2020-10-21","18:00:00",""
"4086378","10.6786","0.0005","11.8158","0.0005","14.7036","0.0007","81.058","0.002","81.789","0.002","78.133","0.002","1781.7","0.14","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C38 H44 O P2 Pd S Si -","- C38 H44 O P2 Pd S Si -","- C76 H88 O2 P4 Pd2 S2 Si2 -","2","1","","Molitor, Sebastian; Schwarz, Christopher; Gessner, Viktoria H.","Mono- and Bis-Cyclometalated Palladium Complexes: Synthesis, Characterization, and Catalytic Activity","Organometallics","2016","35","2","159","","10.1021/acs.organomet.5b00903","","","0.71073","MoKα","","0.0448","0.0302","","","0.062","0.0669","","","","","","1.029","","","","has coordinates","175807","2020-10-21","18:00:00",""
"4086379","16.705","0.005","17.471","0.005","26.965","0.008","90","","90","","90","","7870","4","100","2","100","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C42 H70 Th -","- C42 H70 Th -","- C336 H560 Th8 -","8","1","","Fang, Bo; Hou, Guohua; Zi, Guofu; Ding, Wanjian; Walter, Marc D.","Steric and Electronic Influences of Internal Alkynes on the Formation of Thorium Metallacycles: A Combined Experimental and Computational Study","Organometallics","2016","","","","","10.1021/acs.organomet.5b00945","","","0.71073","MoKα","","0.0537","0.0347","","","0.0712","0.0781","","","","","","1.031","","","","has coordinates","173447","2020-10-21","18:00:00",""
"4086380","11.211","0.003","15.77","0.004","19.643","0.005","89.002","0.004","81.009","0.004","89.823","0.004","3429.6","1.5","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C82 H98 Th2 -","- C82 H98 Th2 -","- C164 H196 Th4 -","2","1","","Fang, Bo; Hou, Guohua; Zi, Guofu; Ding, Wanjian; Walter, Marc D.","Steric and Electronic Influences of Internal Alkynes on the Formation of Thorium Metallacycles: A Combined Experimental and Computational Study","Organometallics","2016","","","","","10.1021/acs.organomet.5b00945","","","0.71073","MoKα","","0.0493","0.0357","","","0.0823","0.0897","","","","","","1.029","","","","has coordinates","173447","2020-10-21","18:00:00",""
"4086381","12.369","0.004","16.345","0.005","35.742","0.009","90","","100.04","0.01","90","","7115","4","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C42 H54 Th -","- C42 H54 Th -","- C336 H432 Th8 -","8","2","","Fang, Bo; Hou, Guohua; Zi, Guofu; Ding, Wanjian; Walter, Marc D.","Steric and Electronic Influences of Internal Alkynes on the Formation of Thorium Metallacycles: A Combined Experimental and Computational Study","Organometallics","2016","","","","","10.1021/acs.organomet.5b00945","","","0.71073","MoKα","","0.1043","0.0594","","","0.1051","0.1242","","","","","","0.962","","","","has coordinates","173447","2020-10-21","18:00:00",""
"4086382","10.248","0.005","10.462","0.006","18.835","0.01","83.385","0.009","86.609","0.009","76.635","0.008","1950.5","1.8","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C48 H62 Th -","- C48 H62 Th -","- C96 H124 Th2 -","2","1","","Fang, Bo; Hou, Guohua; Zi, Guofu; Ding, Wanjian; Walter, Marc D.","Steric and Electronic Influences of Internal Alkynes on the Formation of Thorium Metallacycles: A Combined Experimental and Computational Study","Organometallics","2016","","","","","10.1021/acs.organomet.5b00945","","","0.71073","MoKα","","0.0888","0.0724","","","0.1879","0.196","","","","","","1.085","","","","has coordinates","173447","2020-10-21","18:00:00",""
"4086383","9.986","0.006","11.666","0.007","17.774","0.01","83.509","0.011","76.778","0.011","65.237","0.011","1830","1.9","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C40 H54 Si2 Th -","- C40 H54 Si2 Th -","- C80 H108 Si4 Th2 -","2","1","","Fang, Bo; Hou, Guohua; Zi, Guofu; Ding, Wanjian; Walter, Marc D.","Steric and Electronic Influences of Internal Alkynes on the Formation of Thorium Metallacycles: A Combined Experimental and Computational Study","Organometallics","2016","","","","","10.1021/acs.organomet.5b00945","","","0.71073","MoKα","","0.0682","0.0511","","","0.0992","0.11","","","","","","1.007","","","","has coordinates","173447","2020-10-21","18:00:00",""
"4086384","10.681","0.005","18.577","0.008","26.315","0.012","90","","92.837","0.009","90","","5215","4","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C49 H78 Cl Li O6 Si Th -","- C49 H78 Cl Li O6 Si Th -","- C196 H312 Cl4 Li4 O24 Si4 Th4 -","4","1","","Fang, Bo; Hou, Guohua; Zi, Guofu; Ding, Wanjian; Walter, Marc D.","Steric and Electronic Influences of Internal Alkynes on the Formation of Thorium Metallacycles: A Combined Experimental and Computational Study","Organometallics","2016","","","","","10.1021/acs.organomet.5b00945","","","0.71073","MoKα","","0.0752","0.045","","","0.0792","0.0902","","","","","","0.961","","","","has coordinates","173447","2020-10-21","18:00:00",""
"4086385","11.81","0.003","17.059","0.005","15.359","0.004","90","","94.071","0.006","90","","3086.5","1.4","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C28 H49 Cl Si2 Th -","- C28 H49 Cl Si2 Th -","- C112 H196 Cl4 Si8 Th4 -","4","1","","Fang, Bo; Hou, Guohua; Zi, Guofu; Ding, Wanjian; Walter, Marc D.","Steric and Electronic Influences of Internal Alkynes on the Formation of Thorium Metallacycles: A Combined Experimental and Computational Study","Organometallics","2016","","","","","10.1021/acs.organomet.5b00945","","","0.71073","MoKα","","0.0913","0.0497","","","0.0908","0.1045","","","","","","0.96","","","","has coordinates","173447","2020-10-21","18:00:00",""
"4086386","9.6213","0.0015","10.033","0.0017","15.394","0.002","73.399","0.009","72.122","0.009","79.147","0.009","1347","0.4","230","2","230","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H32 N4 O Zn2 -","- C22 H32 N4 O Zn2 -","- C44 H64 N8 O2 Zn4 -","2","1","","Honrado, Manuel; Otero, Antonio; Fernández-Baeza, Juan; Sánchez-Barba, Luis F.; Garcés, Andrés; Lara-Sánchez, Agustín; Rodríguez, Ana M.","Copolymerization of Cyclic Esters Controlled by Chiral NNO-Scorpionate Zinc Initiators","Organometallics","2016","35","2","189","","10.1021/acs.organomet.5b00919","","","0.71073","MoKα","","0.0506","0.0349","","","0.0871","0.0936","","","","","","1.044","","","","has coordinates","175810","2020-10-21","18:00:00",""
"4086387","21.5189","0.0003","14.2214","0.0002","9.8028","0.0002","90","","90","","90","","2999.94","0.09","230","2","230","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C29 H38 N4 O2 Zn2 -","- C29 H38 N4 O2 Zn2 -","- C116 H152 N16 O8 Zn8 -","4","1","","Honrado, Manuel; Otero, Antonio; Fernández-Baeza, Juan; Sánchez-Barba, Luis F.; Garcés, Andrés; Lara-Sánchez, Agustín; Rodríguez, Ana M.","Copolymerization of Cyclic Esters Controlled by Chiral NNO-Scorpionate Zinc Initiators","Organometallics","2016","35","2","189","","10.1021/acs.organomet.5b00919","","","0.71073","MoKα","","0.0656","0.0387","","","0.0773","0.0872","","","","","","0.959","","","","has coordinates","175810","2020-10-21","18:00:00",""
"4086388","17.6823","0.0003","17.4313","0.0003","10.0658","0.0002","90","","100.715","0.001","90","","3048.44","0.1","133","2","133","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C23.92 H50.77 Ca I1.02 O4 Si0.98 -","- C23.9144 H50.7646 Ca I1.0214 O4 Si0.9786 -","- C95.6576 H203.058 Ca4 I4.0856 O16 Si3.9144 -","4","1","","Köhler, Mathias; Koch, Alexander; Görls, Helmar; Westerhausen, Matthias","Trimethylsilylmethylcalcium Iodide, an Easily Accessible Grignard-Type Reagent of a Heavy Alkaline Earth Metal","Organometallics","2016","35","2","242","","10.1021/acs.organomet.5b00956","","","0.71073","MoKα","","0.0252","0.0225","","","0.0452","0.0464","","","","","","1.078","","","","has coordinates,has disorder","175804","2020-10-21","18:00:00",""
"4086389","9.7554","0.0007","11.6087","0.0008","17.5753","0.0012","90","","96.9255","0.0017","90","","1975.8","0.2","100","","100","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C16 H25 Cr N3 O3 P2 -","- C16 H25 Cr N3 O3 P2 -","- C64 H100 Cr4 N12 O12 P8 -","4","1","","Mastalir, Matthias; de Aguiar, Sara R. M. M.; Glatz, Mathias; Stöger, Berthold; Kirchner, Karl","A Convenient Solvothermal Synthesis of Group 6 PNP Pincer Tricarbonyl Complexes","Organometallics","2016","35","2","229","","10.1021/acs.organomet.5b00940","","x-ray","0.71073","MoKα","","0.0245","0.0221","","","0.0391","0.0393","","","","2.68","2.68","2.59","","","","has coordinates","175805","2020-10-21","18:00:00",""
"4086390","7.8872","0.0003","16.2499","0.0006","20.4084","0.0008","90","","99.9097","0.0011","90","","2576.64","0.17","100","","100","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C22 H36 Cr N4 O3 P2 -","- C22 H36 Cr N4 O3 P2 -","- C88 H144 Cr4 N16 O12 P8 -","4","1","","Mastalir, Matthias; de Aguiar, Sara R. M. M.; Glatz, Mathias; Stöger, Berthold; Kirchner, Karl","A Convenient Solvothermal Synthesis of Group 6 PNP Pincer Tricarbonyl Complexes","Organometallics","2016","35","2","229","","10.1021/acs.organomet.5b00940","","x-ray","0.71073","MoKα","","0.0421","0.0306","","","0.0373","0.0384","","","","2","2","1.86","","","","has coordinates","175805","2020-10-21","18:00:00",""
"4086391","8.7134","0.0007","15.8895","0.0013","21.7498","0.0018","90","","96.9245","0.0019","90","","2989.3","0.4","100","","100","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C26 H44 Cr N4 O3 P2 -","- C26 H44 Cr N4 O3 P2 -","- C104 H176 Cr4 N16 O12 P8 -","4","1","","Mastalir, Matthias; de Aguiar, Sara R. M. M.; Glatz, Mathias; Stöger, Berthold; Kirchner, Karl","A Convenient Solvothermal Synthesis of Group 6 PNP Pincer Tricarbonyl Complexes","Organometallics","2016","35","2","229","","10.1021/acs.organomet.5b00940","","x-ray","0.71073","MoKα","","0.0662","0.038","","","0.0384","0.0419","","","","1.68","1.68","1.54","","","","has coordinates","175805","2020-10-21","18:00:00",""
"4086392","17.2532","0.0016","22.504","0.002","18.5412","0.0019","90","","105.979","0.002","90","","6920.8","1.1","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C60 H80 B2 Cu2 F4 N4 O2 -","- C60 H80 B2 Cu2 F4 N4 O2 -","- C240 H320 B8 Cu8 F16 N16 O8 -","4","1","","Wyss, Chelsea M.; Bitting, Jamie; Bacsa, John; Gray, Thomas G.; Sadighi, Joseph P.","Bonding and Reactivity of a Dicopper(I) μ-Boryl Cation","Organometallics","2016","35","2","71","","10.1021/acs.organomet.5b00961","","","0.71073","MoKα","","0.1273","0.0719","","","0.1833","0.2174","","","","","","1.021","","","","has coordinates,has disorder","175811","2020-10-21","18:00:00",""
"4086393","10.3171","0.0007","15.3059","0.0011","18.2283","0.0013","90","","90","","90","","2878.5","0.4","183","2","183","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","wb27may2","","","- C33 H39 Mo N P2 -","- C33 H39 Mo N P2 -","- C132 H156 Mo4 N4 P8 -","4","1","","Zhang, Yuanyuan; Williard, Paul G.; Bernskoetter, Wesley H.","Synthesis and Characterization of Pincer-Molybdenum Precatalysts for CO2Hydrogenation","Organometallics","2016","35","6","860","","10.1021/acs.organomet.5b00955","","","0.71073","","","0.0244","0.0212","","","0.0522","0.0541","","","","","","1.002","","","","has coordinates","182512","2020-10-21","18:00:00",""
"4086394","12.9474","0.0006","18.0247","0.0008","13.6257","0.0007","90","","116.314","0.0013","90","","2850.4","0.2","183","2","183","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","wb21jul14","","","- C32 H35 Mo N O2 P2 -","- C32 H35 Mo N O2 P2 -","- C128 H140 Mo4 N4 O8 P8 -","4","1","","Zhang, Yuanyuan; Williard, Paul G.; Bernskoetter, Wesley H.","Synthesis and Characterization of Pincer-Molybdenum Precatalysts for CO2Hydrogenation","Organometallics","2016","35","6","860","","10.1021/acs.organomet.5b00955","","","0.71073","","","0.052","0.036","","","0.0794","0.0856","","","","","","1.071","","","","has coordinates","182512","2020-10-21","18:00:00",""
"4086395","14.918","0.002","20.541","0.003","21.377","0.003","76.799","0.005","83.368","0.006","83.069","0.006","6304.6","1.5","113","2","113","2","","","","","","","","6","P -1","-P 1","2","","","","- C19.5 H20.5 Cl2.5 N3 O Pd -","- C19.5 H20.5 Cl2.5 N3 O Pd -","- C234 H246 Cl30 N36 O12 Pd12 -","12","6","","Yang, Dandan; Tang, Yungang; Song, Haibin; Wang, Baiquan","Synthesis, Structures, and Norbornene Polymerization Behavior of Palladium Complexes Bearing Tridentateo-Aryloxide-N-heterocyclic Carbene Ligands","Organometallics","2016","35","10","1392","","10.1021/acs.organomet.5b01006","","","0.71073","MoKα","","0.0442","0.0395","","","0.097","0.0994","","","","","","1.081","","","","has coordinates","183596","2020-10-21","18:00:00",""
"4086396","34.78","0.02","6.979","0.004","19.355","0.013","90","","114.29","0.007","90","","4282","5","113","2","113","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C23 H28 Cl N3 O Pd -","- C23 H28 Cl N3 O Pd -","- C184 H224 Cl8 N24 O8 Pd8 -","8","1","","Yang, Dandan; Tang, Yungang; Song, Haibin; Wang, Baiquan","Synthesis, Structures, and Norbornene Polymerization Behavior of Palladium Complexes Bearing Tridentateo-Aryloxide-N-heterocyclic Carbene Ligands","Organometallics","2016","35","10","1392","","10.1021/acs.organomet.5b01006","","","0.71073","MoKα","","0.092","0.0504","","","0.0751","0.0862","","","","","","1.012","","","","has coordinates","183596","2020-10-21","18:00:00",""
"4086397","30.236","0.006","9.775","0.002","17.405","0.004","90","","101.4","0.03","90","","5042.7","1.9","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C21.5 H34 Cl N3 O1.5 Pd -","- C21.5 H34 Cl N3 O1.5 Pd -","- C172 H272 Cl8 N24 O12 Pd8 -","8","1","","Yang, Dandan; Tang, Yungang; Song, Haibin; Wang, Baiquan","Synthesis, Structures, and Norbornene Polymerization Behavior of Palladium Complexes Bearing Tridentateo-Aryloxide-N-heterocyclic Carbene Ligands","Organometallics","2016","35","10","1392","","10.1021/acs.organomet.5b01006","","","0.71073","MoKα","","0.0595","0.0479","","","0.1373","0.1445","","","","","","1.109","","","","has coordinates","183596","2020-10-21","18:00:00",""
"4086398","14.767","0.003","28.263","0.005","10.572","0.002","90","","101.246","0.003","90","","4327.6","1.4","113","2","113","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C48 H60 N4 O2 Pd -","- C48 H60 N4 O2 Pd -","- C192 H240 N16 O8 Pd4 -","4","1","","Yang, Dandan; Tang, Yungang; Song, Haibin; Wang, Baiquan","Synthesis, Structures, and Norbornene Polymerization Behavior of Palladium Complexes Bearing Tridentateo-Aryloxide-N-heterocyclic Carbene Ligands","Organometallics","2016","35","10","1392","","10.1021/acs.organomet.5b01006","","","0.71073","MoKα","","0.0401","0.0341","","","0.092","0.0951","","","","","","1.089","","","","has coordinates","183596","2020-10-21","18:00:00",""
"4086399","13.13","0.003","29.612","0.006","14.798","0.003","90","","93.27","0.03","90","","5744","2","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","μ-dinitrogen-<i>bis</i>-{(1,1'-dimethyl-3,3'-methylenedi-imidazoline-2,2'- diylidene)-(κ^3^ <i>N</i>,<i>N'</i>,<i>N""</i>-<i>tris</i>(pyrazolyl)borate}- ruthenium(II)} <i>bis</i>{<i>tetrakis</i>{3,5-bis(trifluoromethyl)phenyl}borate}","","- C50 H34 B2 F24 N11 Ru -","- C50 H34 B2 F24 N11 Ru -","- C200 H136 B8 F96 N44 Ru4 -","4","1","","Jiménez-Tenorio, Manuel; Puerta, M. Carmen; Valerga, Pedro","Activation of Propargyl Alcohols by TpRu Complexes Bearing a Bidentate NHC Ligand","Organometallics","2016","35","3","388","","10.1021/acs.organomet.5b00964","","x-ray","0.71073","MoKα","","0.0733","0.0672","","","0.1677","0.1753","","","","","","1.093","","","","has coordinates,has disorder","177430","2020-10-21","18:00:00",""
"4086400","46.111","0.009","13.602","0.003","20.347","0.004","90","","110.85","0.03","90","","11926","5","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","(κ^2^<i>C</i>,<i>C'</i>,<i>N""</i>-1,1'-dimethyl-3,3'-methylenedi-imidazoline)- 2,2'-diylidene)-{κ^3^<i>N</i>,<i>N'</i>,<i>N""</i>-<i>tris</i>(pyrazolyl) borate}-{(1-<i>N</i>-pyrazolyl)-(3,3-diphenyl)-prop-2-enylidene}-ruthenium(II) tetraphenylborate dichloromethane solvate","","- C61 H58 B2 Cl2 N12 Ru -","- C61 H58 B2 Cl2 N12 Ru -","- C488 H464 B16 Cl16 N96 Ru8 -","8","1","","Jiménez-Tenorio, Manuel; Puerta, M. Carmen; Valerga, Pedro","Activation of Propargyl Alcohols by TpRu Complexes Bearing a Bidentate NHC Ligand","Organometallics","2016","35","3","388","","10.1021/acs.organomet.5b00964","","x-ray","0.71073","MoKα","","0.1036","0.0718","","","0.1747","0.1943","","","","","","1.092","","","","has coordinates","177430","2020-10-21","18:00:00",""
"4086401","9.7702","0.0005","11.7884","0.0006","11.7937","0.0006","90","","91.0496","0.0016","90","","1358.11","0.12","100","","100","","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C24 H40 Cl Ir N O6 P -","- C24 H40 Cl Ir N O6 P -","- C48 H80 Cl2 Ir2 N2 O12 P2 -","2","1","","Grajeda, Javier; Kita, Matthew R.; Gregor, Lauren C.; White, Peter S.; Miller, Alexander J. M.","Diverse Cation-Promoted Reactivity of Iridium Carbonyl Pincer-Crown Ether Complexes","Organometallics","2016","35","","306","316","10.1021/acs.organomet.5b00786","","","1.54178","CuKα","","0.0181","0.0181","","","0.0473","0.0474","","","","","","1.157","","","","has coordinates","176444","2020-10-21","18:00:00",""
"4086402","11.8015","0.0003","13.597","0.0004","17.1601","0.0005","96.312","0.002","98.081","0.002","101.33","0.002","2646.15","0.13","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C24 H39 Ir N O6 P -","- C24 H39 Ir N O6 P -","- C96 H156 Ir4 N4 O24 P4 -","4","2","","Grajeda, Javier; Kita, Matthew R.; Gregor, Lauren C.; White, Peter S.; Miller, Alexander J. M.","Diverse Cation-Promoted Reactivity of Iridium Carbonyl Pincer-Crown Ether Complexes","Organometallics","2016","35","","306","316","10.1021/acs.organomet.5b00786","","","1.54178","CuKα","","0.0665","0.0482","","","0.1161","0.1276","","","","","","1.048","","","","has coordinates","176445","2020-10-21","18:00:00",""
"4086403","42.2839","0.0012","17.4919","0.0007","7.5827","0.0002","90","","90.996","0.003","90","","5607.5","0.3","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C25 H23 Cl3 N4 O3 Ru -","- C25 H23 Cl3 N4 O3 Ru -","- C200 H184 Cl24 N32 O24 Ru8 -","8","1","","Wu, Qiong; Zheng, Kangdi; Liao, Siyan; Ding, Yang; Li, Yangqiu; Mei, Wenjie","Arene Ruthenium(II) Complexes as Low-Toxicity Inhibitor against the Proliferation, Migration, and Invasion of MDA-MB-231 Cells through Binding and Stabilizing c-myc G-Quadruplex DNA","Organometallics","2016","35","","317","326","10.1021/acs.organomet.5b00820","","","1.54178","CuKα","","0.0687","0.0616","","","0.1658","0.1793","","","","","","1.055","","","","has coordinates,has disorder","176446","2020-10-21","18:00:00",""
"4086404","42.491","0.009","17.479","0.004","7.6315","0.0015","90","","90.1","0.03","90","","5668","2","293","2","293","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C25 H23 Br Cl2 N4 O3 Ru -","- C25 H23 Br Cl2 N4 O3 Ru -","- C200 H184 Br8 Cl16 N32 O24 Ru8 -","8","1","","Wu, Qiong; Zheng, Kangdi; Liao, Siyan; Ding, Yang; Li, Yangqiu; Mei, Wenjie","Arene Ruthenium(II) Complexes as Low-Toxicity Inhibitor against the Proliferation, Migration, and Invasion of MDA-MB-231 Cells through Binding and Stabilizing c-myc G-Quadruplex DNA","Organometallics","2016","35","","317","326","10.1021/acs.organomet.5b00820","","","0.71073","MoKα","","0.0504","0.0473","","","0.1706","0.1769","","","","","","1.033","","","","has coordinates","176448","2020-10-21","18:00:00",""
"4086405","7.2086","0.0006","14.8189","0.0011","24.7866","0.0019","90","","90","","90","","2647.8","0.4","100","2","100","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C13 H13 N3 O4 S -","- C13 H13 N3 O4 S -","- C104 H104 N24 O32 S8 -","8","1","","Ruff, Andrew; Kirby, Christopher; Chan, Benny C.; O'Connor, Abby R.","Base-Free Transfer Hydrogenation of Ketones Using Cp*Ir(pyridinesulfonamide)Cl Precatalysts","Organometallics","2016","35","","327","335","10.1021/acs.organomet.5b00864","","","0.71073","MoKα","","0.0674","0.0442","","","0.1035","0.1158","","","","","","1.051","","","","has coordinates","275245","2022-05-09","01:24:25",""
"4086406","7.5564","0.0012","7.6588","0.0012","24.263","0.004","90","","93.228","0.002","90","","1401.9","0.4","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H16 N2 O3 S -","- C14 H16 N2 O3 S -","- C56 H64 N8 O12 S4 -","4","1","","Ruff, Andrew; Kirby, Christopher; Chan, Benny C.; O'Connor, Abby R.","Base-Free Transfer Hydrogenation of Ketones Using Cp*Ir(pyridinesulfonamide)Cl Precatalysts","Organometallics","2016","35","","327","335","10.1021/acs.organomet.5b00864","","","0.71073","MoKα","","0.0814","0.0497","","","0.1233","0.1371","","","","","","1.169","","","","has coordinates","275245","2022-05-09","01:24:25",""
"4086407","8.5309","0.0005","14.3726","0.0009","15.5996","0.001","90","","94.88","0.001","90","","1905.8","0.2","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C18 H26 Cl Ir N2 O2 S -","- C18 H26 Cl Ir N2 O2 S -","- C72 H104 Cl4 Ir4 N8 O8 S4 -","4","1","","Ruff, Andrew; Kirby, Christopher; Chan, Benny C.; O'Connor, Abby R.","Base-Free Transfer Hydrogenation of Ketones Using Cp*Ir(pyridinesulfonamide)Cl Precatalysts","Organometallics","2016","35","","327","335","10.1021/acs.organomet.5b00864","","","0.71073","MoKα","","0.0362","0.0243","","","0.0416","0.0451","","","","","","1.02","","","","has coordinates","275245","2022-05-09","01:24:25",""
"4086408","8.4255","0.0006","13.2575","0.001","25.0656","0.0019","90","","90","","90","","2799.9","0.4","100","2","100","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C25 H31 Cl3 Ir N3 O4 S -","- C25 H31 Cl3 Ir N3 O4 S -","- C100 H124 Cl12 Ir4 N12 O16 S4 -","4","1","","Ruff, Andrew; Kirby, Christopher; Chan, Benny C.; O'Connor, Abby R.","Base-Free Transfer Hydrogenation of Ketones Using Cp*Ir(pyridinesulfonamide)Cl Precatalysts","Organometallics","2016","35","","327","335","10.1021/acs.organomet.5b00864","","","0.71073","MoKα","","0.036","0.0304","","","0.0505","0.0522","","","","","","0.975","","","","has coordinates","275245","2022-05-09","01:24:25",""
"4086409","8.6508","0.0007","13.6802","0.0011","25.711","0.002","90","","97.814","0.001","90","","3014.5","0.4","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","IrCp*(pyridinesulfonamide R=OME)) CL","","","- C26 H34 Cl5 Ir N2 O3 S -","- C26 H34 Cl5 Ir N2 O3 S -","- C104 H136 Cl20 Ir4 N8 O12 S4 -","4","1","","Ruff, Andrew; Kirby, Christopher; Chan, Benny C.; O'Connor, Abby R.","Base-Free Transfer Hydrogenation of Ketones Using Cp*Ir(pyridinesulfonamide)Cl Precatalysts","Organometallics","2016","35","","327","335","10.1021/acs.organomet.5b00864","","","0.71073","MoKα","","0.0335","0.0238","","","0.0439","0.0466","","","","","","1.039","","","","has coordinates","275245","2022-05-09","01:24:25",""
"4086410","11.3072","0.001","15.9169","0.0015","18.881","0.0015","100.574","0.007","107.045","0.007","109.056","0.008","2920.6","0.5","175","","175","","","","","","","","","5","P -1","-P 1","2","","","","- C64 H67 Cl2 I N6 -","- C64 H67 Cl2 I N6 -","- C128 H134 Cl4 I2 N12 -","2","1","","Longevial, Jean-François; Langlois, Adam; Buisson, Antoine; Devillers, Charles H.; Clément, Sébastien; van der Lee, Arie; Harvey, Pierre D.; Richeter, Sébastien","Synthesis, Characterization, and Electronic Properties of Porphyrins Conjugated with N-Heterocyclic Carbene (NHC)‒Gold(I) Complexes","Organometallics","2016","35","5","663","","10.1021/acs.organomet.5b00966","","","0.71073","MoKα","","0.1577","0.1205","","0.169","0.1343","0.1343","","","","","","1.122","","","","has coordinates,has disorder","182515","2020-10-21","18:00:00",""
"4086411","11.3072","0.001","15.9169","0.0015","18.881","0.0015","100.574","0.007","107.045","0.007","109.056","0.008","2920.6","0.5","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C63 H65 Cl0 I N6 O0 -","- C63 H65 I N6 -","- C126 H130 I2 N12 -","2","1","","Longevial, Jean-François; Langlois, Adam; Buisson, Antoine; Devillers, Charles H.; Clément, Sébastien; van der Lee, Arie; Harvey, Pierre D.; Richeter, Sébastien","Synthesis, Characterization, and Electronic Properties of Porphyrins Conjugated with N-Heterocyclic Carbene (NHC)‒Gold(I) Complexes","Organometallics","2016","35","5","663","","10.1021/acs.organomet.5b00966","","","0.71073","MoKα","","0.1327","0.0971","","","0.254","0.2912","","","","","","1.022","","","","has coordinates","182515","2020-10-21","18:00:00",""
"4086412","19.3966","0.0006","13.4689","0.0006","33.8884","0.0012","90","","91.1632","0.0018","90","","8851.5","0.6","299","2","299","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C40 H47 F6 Ni O P3 Ru S2 -","- C40 H47 F6 Ni O P3 Ru S2 -","- C320 H376 F48 Ni8 O8 P24 Ru8 S16 -","8","1","","Sun, Puhua; Yang, Dawei; Li, Ying; Zhang, Yahui; Su, Linan; Wang, Baomin; Qu, Jingping","Thiolate-Bridged Nickel‒Iron and Nickel‒Ruthenium Complexes Relevant to the CO-Inhibited State of [NiFe]-Hydrogenase","Organometallics","2016","35","5","751","","10.1021/acs.organomet.5b01035","","","0.71073","MoKα","","0.06","0.055","","","0.1563","0.1595","","","","","","1.036","","","","has coordinates","182517","2020-10-21","18:00:00",""
"4086413","19.497","0.0015","13.3056","0.0011","35.574","0.003","90","","102.873","0.001","90","","8996.6","1.3","296","2","296","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C40 H47 F6 Fe Ni P3 S3 -","- C40 H47 F6 Fe Ni P3 S3 -","- C320 H376 F48 Fe8 Ni8 P24 S24 -","8","1","","Sun, Puhua; Yang, Dawei; Li, Ying; Zhang, Yahui; Su, Linan; Wang, Baomin; Qu, Jingping","Thiolate-Bridged Nickel‒Iron and Nickel‒Ruthenium Complexes Relevant to the CO-Inhibited State of [NiFe]-Hydrogenase","Organometallics","2016","35","5","751","","10.1021/acs.organomet.5b01035","","","0.71073","MoKα","","0.0796","0.0604","","","0.1743","0.1863","","","","","","1.008","","","","has coordinates","182517","2020-10-21","18:00:00",""
"4086414","19.427","0.004","13.236","0.003","35.63","0.008","90","","102.823","0.003","90","","8933","3","296","2","296","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C40 H47 F6 Fe Ni O P3 S2 -","- C40 H47 F6 Fe Ni O P3 S2 -","- C320 H376 F48 Fe8 Ni8 O8 P24 S16 -","8","1","","Sun, Puhua; Yang, Dawei; Li, Ying; Zhang, Yahui; Su, Linan; Wang, Baomin; Qu, Jingping","Thiolate-Bridged Nickel‒Iron and Nickel‒Ruthenium Complexes Relevant to the CO-Inhibited State of [NiFe]-Hydrogenase","Organometallics","2016","35","5","751","","10.1021/acs.organomet.5b01035","","","0.71073","MoKα","","0.0786","0.0585","","","0.1825","0.1954","","","","","","1.08","","","","has coordinates,has disorder","182517","2020-10-21","18:00:00",""
"4086415","16.6651","0.0016","16.7535","0.0016","33.545","0.003","90","","94.544","0.003","90","","9336.3","1.5","298","2","298","2","","","","","","","","8","C 1 c 1","C -2yc","9","","","","- C41 H47 F6 Fe Ni O2 P3 S2 -","- C41 H47 F6 Fe Ni O2 P3 S2 -","- C328 H376 F48 Fe8 Ni8 O16 P24 S16 -","8","2","","Sun, Puhua; Yang, Dawei; Li, Ying; Zhang, Yahui; Su, Linan; Wang, Baomin; Qu, Jingping","Thiolate-Bridged Nickel‒Iron and Nickel‒Ruthenium Complexes Relevant to the CO-Inhibited State of [NiFe]-Hydrogenase","Organometallics","2016","35","5","751","","10.1021/acs.organomet.5b01035","","","0.71073","MoKα","","0.0605","0.0518","","","0.1249","0.1293","","","","","","0.996","","","","has coordinates","182517","2020-10-21","18:00:00",""
"4086416","19.1698","0.0008","13.5266","0.0008","35.806","0.002","90","","103.301","0.003","90","","9035.5","0.8","299","2","299","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C40 H47 F6 Ni P3 Ru S3 -","- C40 H47 F6 Ni P3 Ru S3 -","- C320 H376 F48 Ni8 P24 Ru8 S24 -","8","1","","Sun, Puhua; Yang, Dawei; Li, Ying; Zhang, Yahui; Su, Linan; Wang, Baomin; Qu, Jingping","Thiolate-Bridged Nickel‒Iron and Nickel‒Ruthenium Complexes Relevant to the CO-Inhibited State of [NiFe]-Hydrogenase","Organometallics","2016","35","5","751","","10.1021/acs.organomet.5b01035","","","0.71073","MoKα","","0.0861","0.0689","","","0.1767","0.1862","","","","","","1.084","","","","has coordinates","182517","2020-10-21","18:00:00",""
"4086417","16.7547","0.0007","16.804","0.0007","33.4582","0.0014","90","","93.988","0.002","90","","9397.2","0.7","173","2","173","2","","","","","","","","8","C 1 c 1","C -2yc","9","","","","- C44 H54 F6 Ni O2 P3 Ru S2 -","- C44 H54 F6 Ni O2 P3 Ru S2 -","- C352 H432 F48 Ni8 O16 P24 Ru8 S16 -","8","2","","Sun, Puhua; Yang, Dawei; Li, Ying; Zhang, Yahui; Su, Linan; Wang, Baomin; Qu, Jingping","Thiolate-Bridged Nickel‒Iron and Nickel‒Ruthenium Complexes Relevant to the CO-Inhibited State of [NiFe]-Hydrogenase","Organometallics","2016","35","5","751","","10.1021/acs.organomet.5b01035","","","0.71073","MoKα","","0.0551","0.0482","","","0.1099","0.1146","","","","","","1.009","","","","has coordinates","182517","2020-10-21","18:00:00",""
"4086418","10.9212","0.0007","14.2236","0.0009","16.894","0.0011","86.8869","0.0015","72.7558","0.0014","73.8698","0.0015","2406.5","0.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C49.5 H67 F5 Mo N2 O2 -","- C49.5 H67 F5 Mo N2 O2 -","- C99 H134 F10 Mo2 N4 O4 -","2","1","","Sues, Peter E.; John, Jeremy M.; Schrock, Richard R.; Müller, Peter","Molybdenum and Tungsten Alkylidene and Metallacyclobutane Complexes That Contain a Dianionic Biphenolate Pincer Ligand","Organometallics","2016","35","5","758","","10.1021/acs.organomet.5b00976","","","0.71073","MoKα","","0.0395","0.0338","","","0.0827","0.0865","","","","","","1.053","","","","has coordinates,has disorder","182514","2020-10-21","18:00:00",""
"4086419","34.326","0.011","16.556","0.006","17.67","0.006","90","","114.468","0.005","90","","9140","5","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C51.5 H61 F5 Mo N2 O2 -","- C51.5 H61 F5 Mo N2 O2 -","- C412 H488 F40 Mo8 N16 O16 -","8","1","","Sues, Peter E.; John, Jeremy M.; Schrock, Richard R.; Müller, Peter","Molybdenum and Tungsten Alkylidene and Metallacyclobutane Complexes That Contain a Dianionic Biphenolate Pincer Ligand","Organometallics","2016","35","5","758","","10.1021/acs.organomet.5b00976","","","0.71073","MoKα","","0.0556","0.0396","","","0.0973","0.1069","","","","","","1.044","","","","has coordinates","182514","2020-10-21","18:00:00",""
"4086420","12.5866","0.0009","13.4052","0.0009","21.9368","0.0015","86.548","0.001","89.062","0.001","62.769","0.001","3284.9","0.4","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C56 H68 Cl10 Ir2 N4 P4 -","- C56 H68 Cl10 Ir2 N4 P4 -","- C112 H136 Cl20 Ir4 N8 P8 -","2","1","","Betoré, M. Pilar; Casado, Miguel A.; García-Orduña, Pilar; Lahoz, Fernando J.; Polo, Víctor; Oro, Luis A.","Oxidative Addition of the N‒H Bond of Ammonia to Iridium Bis(phosphane) Complexes: A Combined Experimental and Theoretical Study","Organometallics","2016","35","5","720","","10.1021/acs.organomet.5b01014","","","0.71073","MoKα","","0.0971","0.056","","","0.1373","0.1608","","","","","","1.02","","","","has coordinates","182516","2020-10-21","18:00:00",""
"4086421","11.1147","0.0006","12.9222","0.0007","14.0055","0.0007","102.598","0.001","105.229","0.001","105.141","0.001","1782.56","0.16","150","2","150","2","","","","","","","","8","P -1","-P 1","2","","","","- C58 H72 B2 Cl8 F8 Ir2 N4 P4 -","- C58 H72 B2 Cl8 F8 Ir2 N4 P4 -","- C58 H72 B2 Cl8 F8 Ir2 N4 P4 -","1","0.5","","Betoré, M. Pilar; Casado, Miguel A.; García-Orduña, Pilar; Lahoz, Fernando J.; Polo, Víctor; Oro, Luis A.","Oxidative Addition of the N‒H Bond of Ammonia to Iridium Bis(phosphane) Complexes: A Combined Experimental and Theoretical Study","Organometallics","2016","35","5","720","","10.1021/acs.organomet.5b01014","","","0.71073","MoKα","","0.0456","0.0369","","","0.0866","0.0906","","","","","","1.045","","","","has coordinates,has disorder","182516","2020-10-21","18:00:00",""
"4086422","12.8718","0.0006","13.209","0.0006","25.6502","0.0011","88.716","0.001","85.054","0.001","68.516","0.001","4042.8","0.3","150","2","150","2","","","","","","","","9","P -1","-P 1","2","","","","- C83 H89 B2 Cl4 F8 Ir2 N2 O P6 -","- C79 H80 B2 Cl4 F8 Ir2 N2 P6 -","- C158 H160 B4 Cl8 F16 Ir4 N4 P12 -","2","1","","Betoré, M. Pilar; Casado, Miguel A.; García-Orduña, Pilar; Lahoz, Fernando J.; Polo, Víctor; Oro, Luis A.","Oxidative Addition of the N‒H Bond of Ammonia to Iridium Bis(phosphane) Complexes: A Combined Experimental and Theoretical Study","Organometallics","2016","35","5","720","","10.1021/acs.organomet.5b01014","","","0.71073","MoKα","","0.041","0.0326","","","0.079","0.0819","","","","","","1.035","","","","has coordinates,has disorder","182516","2020-10-21","18:00:00",""
"4086423","13.634","0.004","15.907","0.005","20.456","0.007","74.973","0.009","89.387","0.012","66.619","0.008","3912","2","113","2","113","2","","","","","","","","8","P -1","-P 1","2","","","","- C38.25 H34.5 Cl2.5 Fe2 N2 O4 P2 S2 -","- C38.25 H32 Cl2.5 Fe2 N2 O4 P2 S2 -","- C153 H128 Cl10 Fe8 N8 O16 P8 S8 -","4","2","","Song, Li-Cheng; Luo, Fei-Xian; Liu, Bei-Bei; Gu, Zhen-Chao; Tan, Hao","Novel Ruthenium Phthalocyanine-Containing Model Complex for the Active Site of [FeFe]-Hydrogenases: Synthesis, Structural Characterization, and Catalytic H2Evolution","Organometallics","2016","35","10","1399","","10.1021/acs.organomet.5b01040","","","0.71073","MoKα","","0.0634","0.0471","","","0.1053","0.1131","","","","","","1.048","","","","has coordinates,has disorder","183597","2020-10-21","18:00:00",""
"4086424","7.949","0.004","14.096","0.007","15.683","0.008","87.595","0.009","82.722","0.009","77.709","0.008","1703","1.5","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C33 H42 Cl3 N4 O4 -","- C33 H42 Cl3 N4 O4 -","- C66 H84 Cl6 N8 O8 -","2","1","","Song, Li-Cheng; Luo, Fei-Xian; Liu, Bei-Bei; Gu, Zhen-Chao; Tan, Hao","Novel Ruthenium Phthalocyanine-Containing Model Complex for the Active Site of [FeFe]-Hydrogenases: Synthesis, Structural Characterization, and Catalytic H2Evolution","Organometallics","2016","35","10","1399","","10.1021/acs.organomet.5b01040","","","0.71073","MoKα","","0.1256","0.0696","","","0.162","0.1899","","","","","","1.015","","","","has coordinates","183597","2020-10-21","18:00:00",""
"4086425","8.906","0.004","12.166","0.005","15.992","0.007","106.291","0.005","105.192","0.005","97.839","0.004","1563.3","1.2","113","","113","","","","","","","","","5","P -1","-P 1","2","","","","- C66 H80 N8 O10 Ru -","- C66 H80 N8 O10 Ru -","- C66 H80 N8 O10 Ru -","1","0.5","","Song, Li-Cheng; Luo, Fei-Xian; Liu, Bei-Bei; Gu, Zhen-Chao; Tan, Hao","Novel Ruthenium Phthalocyanine-Containing Model Complex for the Active Site of [FeFe]-Hydrogenases: Synthesis, Structural Characterization, and Catalytic H2Evolution","Organometallics","2016","35","10","1399","","10.1021/acs.organomet.5b01040","","","0.71073","MoKα","","0.0866","0.0828","","","0.2151","0.2181","","","","","","1.14","","","","has coordinates,has disorder","183597","2020-10-21","18:00:00",""
"4086426","16.5432","0.0016","32.515","0.003","20.7429","0.0019","90","","111.01","0.001","90","","10415.9","1.7","173","2","173","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C102 H112 Fe2 N10 O13 P2 Ru S2 -","- C102 H112 Fe2 N10 O13 P2 Ru S2 -","- C408 H448 Fe8 N40 O52 P8 Ru4 S8 -","4","1","","Song, Li-Cheng; Luo, Fei-Xian; Liu, Bei-Bei; Gu, Zhen-Chao; Tan, Hao","Novel Ruthenium Phthalocyanine-Containing Model Complex for the Active Site of [FeFe]-Hydrogenases: Synthesis, Structural Characterization, and Catalytic H2Evolution","Organometallics","2016","35","10","1399","","10.1021/acs.organomet.5b01040","","","0.71073","MoKα","","0.0539","0.0435","","","0.1065","0.1135","","","","","","1.075","","","","has coordinates","183597","2020-10-21","18:00:00",""
"4086427","9.5787","0.0019","19.742","0.004","23.313","0.005","97.765","0.004","96.907","0.004","94.954","0.004","4312.8","1.5","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C31.6667 H32.3333 Cl1.3333 F3 N2 O Ti -","- C31.6667 H32.3333 Cl1.33333 F3 N2 O Ti -","- C190 H194 Cl8 F18 N12 O6 Ti6 -","6","3","","Wright, Luka A.; Hope, Eric G.; Solan, Gregory A.; Cross, Warren B.; Singh, Kuldip","Active O,Npy,N-Titanium(IV) Fluoride Precatalysts for Ethylene Polymerization: Exploring “Fluoride Effects” on Polymer Properties and Catalytic Performance","Organometallics","2016","35","9","1183","","10.1021/acs.organomet.5b00900","","","0.71073","MoKα","","0.1592","0.0823","","","0.1846","0.2165","","","","","","0.914","","","","has coordinates","190287","2020-10-21","18:00:00",""
"4086428","9.45","0.003","14.409","0.004","21.12","0.006","90","","102.205","0.006","90","","2810.8","1.4","150","2","150","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C26 H28 Cl3 F3 N2 O Ti -","- C26 H28 Cl3 F3 N2 O Ti -","- C104 H112 Cl12 F12 N8 O4 Ti4 -","4","1","","Wright, Luka A.; Hope, Eric G.; Solan, Gregory A.; Cross, Warren B.; Singh, Kuldip","Active O,Npy,N-Titanium(IV) Fluoride Precatalysts for Ethylene Polymerization: Exploring “Fluoride Effects” on Polymer Properties and Catalytic Performance","Organometallics","2016","35","9","1183","","10.1021/acs.organomet.5b00900","","","0.71073","MoKα","","0.1311","0.0753","","","0.1741","0.1993","","","","","","0.943","","","","has coordinates,has disorder","183606","2020-10-21","18:00:00",""
"4086429","12.167","0.007","10.002","0.005","12.546","0.007","90","","110.017","0.014","90","","1434.5","1.4","150","2","150","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C26 H28 Cl6 N2 O Ti -","- C26 H28 Cl6 N2 O Ti -","- C52 H56 Cl12 N4 O2 Ti2 -","2","1","","Wright, Luka A.; Hope, Eric G.; Solan, Gregory A.; Cross, Warren B.; Singh, Kuldip","Active O,Npy,N-Titanium(IV) Fluoride Precatalysts for Ethylene Polymerization: Exploring “Fluoride Effects” on Polymer Properties and Catalytic Performance","Organometallics","2016","35","9","1183","","10.1021/acs.organomet.5b00900","","","0.71073","MoKα","","0.2506","0.0786","","","0.1196","0.1729","","","","","","0.66","","","","has coordinates","183606","2020-10-21","18:00:00",""
"4086430","9.502","0.004","7.282","0.003","20.079","0.008","90","","90","","90","","1389.3","1","150","2","150","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C13 H15 F3 N2 O2 Ti -","- C13 H15 F3 N2 O2 Ti -","- C52 H60 F12 N8 O8 Ti4 -","4","0.5","","Wright, Luka A.; Hope, Eric G.; Solan, Gregory A.; Cross, Warren B.; Singh, Kuldip","Active O,Npy,N-Titanium(IV) Fluoride Precatalysts for Ethylene Polymerization: Exploring “Fluoride Effects” on Polymer Properties and Catalytic Performance","Organometallics","2016","35","9","1183","","10.1021/acs.organomet.5b00900","","","0.71073","MoKα","","0.0858","0.0539","","","0.112","0.1214","","","","","","0.971","","","","has coordinates","183606","2020-10-21","18:00:00",""
"4086431","14.4047","0.0019","7.1775","0.001","14.602","0.002","90","","110.212","0.002","90","","1416.7","0.3","296","2","296","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C18 H12 O2 -","- C18 H12 O2 -","- C72 H48 O8 -","4","1","","Gao, Bao; Liu, Song; Lan, Yu; Huang, Hanmin","Rhodium-Catalyzed Cyclocarbonylation of Ketimines via C‒H Bond Activation","Organometallics","2016","35","10","1480","","10.1021/acs.organomet.6b00072","","","0.71073","MoKα","","0.0843","0.0697","","","0.172","0.1824","","","","","","1.002","","","","has coordinates","183598","2020-10-21","18:00:00",""
"4086432","13.7169","0.0015","7.4369","0.0009","15.9131","0.0019","90","","108.119","0.002","90","","1542.8","0.3","296","2","296","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C19 H17 O4 -","- C19 H17 O4 -","- C76 H68 O16 -","4","1","","Gao, Bao; Liu, Song; Lan, Yu; Huang, Hanmin","Rhodium-Catalyzed Cyclocarbonylation of Ketimines via C‒H Bond Activation","Organometallics","2016","35","10","1480","","10.1021/acs.organomet.6b00072","","","0.71073","MoKα","","0.0541","0.0482","","","0.132","0.1372","","","","","","1.005","","","","has coordinates","183598","2020-10-21","18:00:00",""
"4086433","16.1039","0.0011","15.3204","0.001","20.3446","0.0014","90","","110.539","0.001","90","","4700.3","0.6","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24.5 H28 Cl2 N Rh -","- C24.5 H28 Cl2 N Rh -","- C196 H224 Cl16 N8 Rh8 -","8","2","","Gao, Bao; Liu, Song; Lan, Yu; Huang, Hanmin","Rhodium-Catalyzed Cyclocarbonylation of Ketimines via C‒H Bond Activation","Organometallics","2016","35","10","1480","","10.1021/acs.organomet.6b00072","","","0.71073","MoKα","","0.073","0.0617","","","0.2428","0.2629","","","","","","1.064","","","","has coordinates","190287","2020-10-21","18:00:00",""
"4086434","11.3602","0.0005","10.5422","0.0005","31.8629","0.0016","90","","98.5767","0.0016","90","","3773.3","0.3","100.6","","100.6","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C45 H48 Li N2 O2 P -","- C45 H48 Li N2 O2 P -","- C180 H192 Li4 N8 O8 P4 -","4","1","","Lichtenberg, Crispin","Aminotroponiminates: Alkali Metal Compounds Reveal Unprecedented Coordination Modes","Organometallics","2016","35","6","894","","10.1021/acs.organomet.6b00042","","","0.71073","MoKα","","0.0661","0.0464","","","0.1117","0.1209","","","","","","1.051","","","","has coordinates","182513","2020-10-21","18:00:00",""
"4086435","11.9995","0.0005","12.218","0.0006","12.4666","0.0006","90","","90","","90","","1827.73","0.15","101.9","","101.9","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C20 H25 N2 Na O -","- C20 H25 N2 Na O -","- C80 H100 N8 Na4 O4 -","4","1","","Lichtenberg, Crispin","Aminotroponiminates: Alkali Metal Compounds Reveal Unprecedented Coordination Modes","Organometallics","2016","35","6","894","","10.1021/acs.organomet.6b00042","","","0.71073","MoKα","","0.0417","0.0352","","","0.0841","0.0878","","","","","","1.039","","","","has coordinates","182513","2020-10-21","18:00:00",""
"4086436","11.1238","0.0007","8.0223","0.0005","21.1968","0.0013","90","","103.547","0.007","90","","1838.9","0.2","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H25 K N2 O -","- C20 H25 K N2 O -","- C80 H100 K4 N8 O4 -","4","1","","Lichtenberg, Crispin","Aminotroponiminates: Alkali Metal Compounds Reveal Unprecedented Coordination Modes","Organometallics","2016","35","6","894","","10.1021/acs.organomet.6b00042","","","0.71073","MoKα","","0.1094","0.0661","","","0.1221","0.1421","","","","","","1.019","","","","has coordinates","182513","2020-10-21","18:00:00",""
"4086437","20.1288","0.0018","40.611","0.003","9.8621","0.0008","90","","90","","90","","8061.8","1.1","103","3","103","3","","","","","","","","4","F d d 2","F 2 -2d","43","","","","- C24 H29 N2 Rh -","- C24 H29 N2 Rh -","- C384 H464 N32 Rh16 -","16","1","","Lichtenberg, Crispin","Aminotroponiminates: Alkali Metal Compounds Reveal Unprecedented Coordination Modes","Organometallics","2016","35","6","894","","10.1021/acs.organomet.6b00042","","","0.71073","MoKα","","0.0463","0.0367","","","0.0766","0.0798","","","","","","1.047","","","","has coordinates","182513","2020-10-21","18:00:00",""
"4086438","44.458","0.002","76.228","0.004","10.6621","0.0006","90","","90","","90","","36133","3","100","","100","","","","","","","","","6","F d d 2","F 2 -2d","43","","","","- C46.5 H48 N7 Na O3.5 W -","- C46.5 H48 N7 Na O3.5 W -","- C1488 H1536 N224 Na32 O112 W32 -","32","2","","Lichtenberg, Crispin","Aminotroponiminates: Alkali Metal Compounds Reveal Unprecedented Coordination Modes","Organometallics","2016","35","6","894","","10.1021/acs.organomet.6b00042","","","0.71073","MoKα","","0.0576","0.0478","","","0.1143","0.1194","","","","","","1.051","","","","has coordinates,has disorder","286259","2023-09-07","06:00:40",""
"4086439","21.5627","0.0006","12.9662","0.0004","19.8892","0.0007","90","","103.413","0.004","90","","5409.1","0.3","291","2","291","2","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C25 H37 O4 P Pd S2 -","- C25 H37 O4 P Pd S2 -","- C200 H296 O32 P8 Pd8 S16 -","8","1","","Wu, Zixia; Chen, Min; Chen, Changle","Ethylene Polymerization and Copolymerization by Palladium and Nickel Catalysts Containing Naphthalene-Bridged Phosphine‒Sulfonate Ligands","Organometallics","2016","35","10","1472","","10.1021/acs.organomet.6b00076","","","1.54184","CuKα","","0.0812","0.0698","","","0.1904","0.206","","","","","","1.045","","","","has coordinates","183595","2020-10-21","18:00:00",""
"4086440","10.7319","0.0001","9.7914","0.0001","24.6354","0.0003","90","","96.136","0.001","90","","2573.87","0.05","290","2","290","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C25 H25 O4 P Pd S2 -","- C25 H25 O4 P Pd S2 -","- C100 H100 O16 P4 Pd4 S8 -","4","1","","Wu, Zixia; Chen, Min; Chen, Changle","Ethylene Polymerization and Copolymerization by Palladium and Nickel Catalysts Containing Naphthalene-Bridged Phosphine‒Sulfonate Ligands","Organometallics","2016","35","10","1472","","10.1021/acs.organomet.6b00076","","","1.54184","CuKα","","0.0357","0.0334","","","0.091","0.0935","","","","","","1.037","","","","has coordinates","183595","2020-10-21","18:00:00",""
"4086441","17.037","0.0017","13.3798","0.0013","17.2905","0.0017","90","","103.38","0.001","90","","3834.4","0.7","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C35 H38 Cl6 N O7 Os -","- C35 H38 Cl6 N O7 Os -","- C140 H152 Cl24 N4 O28 Os4 -","4","1","","Agonigi, Gabriele; Riedel, Tina; Gay, M. Pilar; Biancalana, Lorenzo; Oñate, Enrique; Dyson, Paul J.; Pampaloni, Guido; Păunescu, Emilia; Esteruelas, Miguel A.; Marchetti, Fabio","Arene Osmium Complexes with Ethacrynic Acid-Modified Ligands: Synthesis, Characterization, and Evaluation of Intracellular GlutathioneS-Transferase Inhibition and Antiproliferative Activity","Organometallics","2016","35","7","1046","","10.1021/acs.organomet.6b00197","","","0.71073","MoKα","","0.051","0.0389","","","0.0765","0.0821","","","","","","1","","","","has coordinates,has disorder","182511","2020-10-21","18:00:00",""
"4086442","19.6723","0.0019","11.5289","0.0011","24.095","0.002","90","","90","","90","","5464.7","0.9","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C28 H32 Cl2 O6 Os -","- C28 H32 Cl2 O6 Os -","- C224 H256 Cl16 O48 Os8 -","8","1","","Agonigi, Gabriele; Riedel, Tina; Gay, M. Pilar; Biancalana, Lorenzo; Oñate, Enrique; Dyson, Paul J.; Pampaloni, Guido; Păunescu, Emilia; Esteruelas, Miguel A.; Marchetti, Fabio","Arene Osmium Complexes with Ethacrynic Acid-Modified Ligands: Synthesis, Characterization, and Evaluation of Intracellular GlutathioneS-Transferase Inhibition and Antiproliferative Activity","Organometallics","2016","35","7","1046","","10.1021/acs.organomet.6b00197","","","0.71073","MoKα","","0.059","0.0299","","","0.0547","0.0621","","","","","","1.011","","","","has coordinates","182511","2020-10-21","18:00:00",""
"4086443","13.0977","0.0019","28.123","0.004","15.752","0.002","90","","94.128","0.007","90","","5787.1","1.4","150","2","150","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C51 H64 B F15 N2 O2 Si4 W -","- C51 H64 B F15 N2 O2 Si4 W -","- C204 H256 B4 F60 N8 O8 Si16 W4 -","4","1","","Fukuda, Tetsuya; Yoshimoto, Takashi; Hashimoto, Hisako; Tobita, Hiromi","Synthesis of a Tungsten‒Silylyne Complex via Stepwise Proton and Hydride Abstraction from a Hydrido Hydrosilylene Complex","Organometallics","2016","35","7","921","","10.1021/acs.organomet.6b00095","","","0.71075","MoKα","","0.1084","0.0862","","","0.1861","0.1939","","","","","","1.267","","","","has coordinates","182510","2020-10-21","18:00:00",""
"4086444","9.259","0.0011","12.6926","0.001","13.2925","0.0015","68.987","0.006","89.604","0.004","79.879","0.003","1432.9","0.3","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H42 O2 Si4 W -","- C22 H42 O2 Si4 W -","- C44 H84 O4 Si8 W2 -","2","1","","Fukuda, Tetsuya; Yoshimoto, Takashi; Hashimoto, Hisako; Tobita, Hiromi","Synthesis of a Tungsten‒Silylyne Complex via Stepwise Proton and Hydride Abstraction from a Hydrido Hydrosilylene Complex","Organometallics","2016","35","7","921","","10.1021/acs.organomet.6b00095","","","0.71069","MoKα","","0.0291","0.0261","","","0.0718","0.081","","","","","","1.204","","","","has coordinates,has disorder","182510","2020-10-21","18:00:00",""
"4086447","14.5058","0.0006","15.1344","0.0007","19.3313","0.0011","90","","106.901","0.003","90","","4060.6","0.3","100","2","100.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","KM3-Pd","","","- C33.33 H55.33 Cl5.98 P2 Pd -","- C33.327 H55.327 Cl5.981 P2 Pd -","- C133.308 H221.308 Cl23.924 P8 Pd4 -","4","1","","Magnuson, Kevin W.; Oshiro, Shelly M.; Gurr, Joshua R.; Yoshida, Wesley Y.; Gembicky, Milan; Rheingold, Arnold L.; Hughes, Russell P.; Cain, Matthew F.","Streamlined Preparation and Coordination Chemistry of Hybrid Phosphine‒Phosphaalkene Ligands","Organometallics","2016","35","6","855","859","10.1021/acs.organomet.6b00101","","x-ray","0.71073","MoKα","","0.1092","0.0637","","","0.1498","0.1755","","","","","","1.038","","","","has coordinates","181379","2020-10-21","18:00:00",""
"4086448","17.151","0.003","15.554","0.002","28.094","0.004","90","","103.916","0.003","90","","7274.6","1.9","100","2","100","","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C34 H57 Cl2 N P2 Pt -","- C34 H57 Cl2 N P2 Pt -","- C272 H456 Cl16 N8 P16 Pt8 -","8","1","","Magnuson, Kevin W.; Oshiro, Shelly M.; Gurr, Joshua R.; Yoshida, Wesley Y.; Gembicky, Milan; Rheingold, Arnold L.; Hughes, Russell P.; Cain, Matthew F.","Streamlined Preparation and Coordination Chemistry of Hybrid Phosphine‒Phosphaalkene Ligands","Organometallics","2016","35","6","855","859","10.1021/acs.organomet.6b00101","","","0.71073","MoKα","","0.0771","0.0553","","","0.1285","0.1388","","","","","","1.112","","","","has coordinates,has disorder","181379","2020-10-21","18:00:00",""
"4086449","10.4449","0.0013","14.5401","0.0016","21.135","0.002","101.749","0.003","98.922","0.004","110.134","0.004","2860.6","0.6","100","","100","","","","","","","","","3","P -1","-P 1","2","","","","- C32 H42 P2 -","- C32 H42 P2 -","- C128 H168 P8 -","4","2","","Magnuson, Kevin W.; Oshiro, Shelly M.; Gurr, Joshua R.; Yoshida, Wesley Y.; Gembicky, Milan; Rheingold, Arnold L.; Hughes, Russell P.; Cain, Matthew F.","Streamlined Preparation and Coordination Chemistry of Hybrid Phosphine‒Phosphaalkene Ligands","Organometallics","2016","35","6","855","859","10.1021/acs.organomet.6b00101","","","0.71073","MoKα","","0.076","0.0495","","","0.1132","0.1274","","","","","","1.029","","","","has coordinates","181379","2020-10-21","18:00:00",""
"4086450","12.2583","0.0018","14.976","0.002","17.006","0.002","90","","90","","90","","3122","0.7","100","2","100","","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C32 H43 Cl2 P2 Pt -","- C32 H42 Cl2 P2 Pt -","- C128 H168 Cl8 P8 Pt4 -","4","1","","Magnuson, Kevin W.; Oshiro, Shelly M.; Gurr, Joshua R.; Yoshida, Wesley Y.; Gembicky, Milan; Rheingold, Arnold L.; Hughes, Russell P.; Cain, Matthew F.","Streamlined Preparation and Coordination Chemistry of Hybrid Phosphine‒Phosphaalkene Ligands","Organometallics","2016","35","6","855","859","10.1021/acs.organomet.6b00101","","x-ray","0.71073","MoKα","","0.0368","0.0285","","","0.0677","0.0725","","","","","","1.029","","","","has coordinates","181379","2020-10-21","18:00:00",""
"4086451","9.8594","0.0012","11.751","0.0016","14.647","0.002","101.584","0.004","109.156","0.004","99.1","0.005","1523.6","0.4","100","2","100","","","","","","","","","3","P -1","-P 1","2","SO7","","","- C32 H54 P2 -","- C32 H54 P2 -","- C64 H108 P4 -","2","1","","Magnuson, Kevin W.; Oshiro, Shelly M.; Gurr, Joshua R.; Yoshida, Wesley Y.; Gembicky, Milan; Rheingold, Arnold L.; Hughes, Russell P.; Cain, Matthew F.","Streamlined Preparation and Coordination Chemistry of Hybrid Phosphine‒Phosphaalkene Ligands","Organometallics","2016","35","6","855","859","10.1021/acs.organomet.6b00101","","x-ray","0.71073","MoKα","","0.0508","0.041","","","0.1008","0.1078","","","","","","1.047","","","","has coordinates,has disorder","181379","2020-10-21","18:00:00",""
"4086452","8.5992","0.0006","18.2258","0.0012","20.492","0.0014","90","","90","","90","","3211.7","0.4","103","2","103","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C32 H46 Ge2 N4 -","- C32 H46 Ge2 N4 -","- C128 H184 Ge8 N16 -","4","1","","Seow, Celestine; Xi, Hong-Wei; Li, Yongxin; So, Cheuk-Wai","Synthesis of a Germylidenide Anion from the C‒C Bond Activation of a Bis(germylene)","Organometallics","2016","35","8","1060","","10.1021/acs.organomet.5b01001","","","0.71073","MoKα","","0.0494","0.0353","","","0.0646","0.0684","","","","","","0.991","","","","has coordinates","182519","2020-10-21","18:00:00",""
"4086453","15.099","0.004","10.77","0.003","20.223","0.005","90","","90","","90","","3288.6","1.5","133","2","133","2","","","","","","","","5","P c c a","-P 2a 2ac","54","","","","- C32 H46 Ge2 Li2 N4 -","- C32 H46 Ge2 Li2 N4 -","- C128 H184 Ge8 Li8 N16 -","4","0.5","","Seow, Celestine; Xi, Hong-Wei; Li, Yongxin; So, Cheuk-Wai","Synthesis of a Germylidenide Anion from the C‒C Bond Activation of a Bis(germylene)","Organometallics","2016","35","8","1060","","10.1021/acs.organomet.5b01001","","","0.71073","MoKα","","0.1222","0.0728","","","0.1523","0.1724","","","","","","1.09","","","","has coordinates","182519","2020-10-21","18:00:00",""
"4086454","8.7947","0.0006","16.4126","0.0011","11.7594","0.0008","90","","95.918","0.002","90","","1688.4","0.2","103","2","103","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C16 H23 Cl Ge N2 -","- C16 H23 Cl Ge N2 -","- C64 H92 Cl4 Ge4 N8 -","4","1","","Seow, Celestine; Xi, Hong-Wei; Li, Yongxin; So, Cheuk-Wai","Synthesis of a Germylidenide Anion from the C‒C Bond Activation of a Bis(germylene)","Organometallics","2016","35","8","1060","","10.1021/acs.organomet.5b01001","","","0.71073","MoKα","","0.0592","0.0377","","","0.0868","0.0946","","","","","","1.044","","","","has coordinates","182519","2020-10-21","18:00:00",""
"4086455","16.5443","0.0015","17.1285","0.0015","22.7127","0.0019","90","","103.005","0.0017","90","","6271.2","0.9","173","2","173","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","unimc30","","","- C60 H75 F6 N7 O6 Ru2 S2 -","- C60 H75 F6 N7 O6 Ru2 S2 -","- C240 H300 F24 N28 O24 Ru8 S8 -","4","1","","Wiltse, Heather R.; Johnson, Alyssa N.; Durand, Raphael J.; Brennessel, William; Chin, Robert M.","Syntheses, Characterization, and Reactivity of Diruthenium Hydrido Complexes","Organometallics","2016","35","8","1079","","10.1021/acs.organomet.6b00067","","","0.71073","MoKα","","0.0754","0.0412","","","0.0858","0.0989","","","","","","1.011","","","","has coordinates,has disorder","182520","2020-10-21","18:00:00",""
"4086456","17.5416","0.0014","19.6877","0.0015","18.0574","0.0014","90","","90","","90","","6236.2","0.8","173","2","173","2","","","","","","","","7","P n m a","-P 2ac 2n","62","unimc22","","","- C54 H68 F6 N4 O6 Ru2 S2 -","- C54 H68 F6 N4 O6 Ru2 S2 -","- C216 H272 F24 N16 O24 Ru8 S8 -","4","0.5","","Wiltse, Heather R.; Johnson, Alyssa N.; Durand, Raphael J.; Brennessel, William; Chin, Robert M.","Syntheses, Characterization, and Reactivity of Diruthenium Hydrido Complexes","Organometallics","2016","35","8","1079","","10.1021/acs.organomet.6b00067","","","0.71073","MoKα","","0.0771","0.0449","","","0.1178","0.142","","","","","","1.025","","","","has coordinates,has disorder","182520","2020-10-21","18:00:00",""
"4086457","38.385","0.004","40.031","0.004","16.3398","0.0015","90","","90","","90","","25108","4","100","0.5","100","0.5","","","","","","","","7","F d d 2","F 2 -2d","43","unimc31","","","- C68 H82 F3 N4 O3 Ru2 S -","- C68 H82 F3 N4 O3 Ru2 S -","- C1088 H1312 F48 N64 O48 Ru32 S16 -","16","1","","Wiltse, Heather R.; Johnson, Alyssa N.; Durand, Raphael J.; Brennessel, William; Chin, Robert M.","Syntheses, Characterization, and Reactivity of Diruthenium Hydrido Complexes","Organometallics","2016","35","8","1079","","10.1021/acs.organomet.6b00067","","","0.71073","MoKα","","0.0818","0.0504","","","0.1014","0.1124","","","","","","0.989","","","","has coordinates,has disorder","182520","2020-10-21","18:00:00",""
"4086458","9.113","0.0009","11.339","0.0011","13.81","0.0012","109.376","0.003","105.198","0.004","93.408","0.003","1282.2","0.2","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C32 H30 N O2 P Pd -","- C32 H30 N O2 P Pd -","- C64 H60 N2 O4 P2 Pd2 -","2","1","","Ren, Zhi; Dong, Guangbin","Direct Observation of C‒H Cyclopalladation at Tertiary Positions Enabled by an Exo-Directing Group","Organometallics","2016","35","8","1057","","10.1021/acs.organomet.6b00185","","","1.54184","CuKα","","0.021","0.0207","","","0.0543","0.0544","","","","","","1.08","","","","has coordinates","182518","2020-10-21","18:00:00",""
"4086459","5.8758","0.0011","17.966","0.004","23.513","0.004","90","","90","","90","","2482.1","0.8","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C28 H32 N2 O4 Pd -","- C28 H32 N2 O4 Pd -","- C112 H128 N8 O16 Pd4 -","4","1","","Ren, Zhi; Dong, Guangbin","Direct Observation of C‒H Cyclopalladation at Tertiary Positions Enabled by an Exo-Directing Group","Organometallics","2016","35","8","1057","","10.1021/acs.organomet.6b00185","","","0.71073","MoKα","","0.0374","0.0343","","","0.065","0.066","","","","","","1.163","","","","has coordinates,has disorder","182518","2020-10-21","18:00:00",""
"4086460","8.6431","0.001","14.9247","0.0017","16.4976","0.0019","90","","90","","90","","2128.1","0.4","150","2","150","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","Mo-complex","","- C21 H36 Mo N2 O -","- C21 H36 Mo N2 O -","- C84 H144 Mo4 N8 O4 -","4","1","","Farrell, Wesley S.; Yonke, Brendan L.; Reeds, Jonathan P.; Zavalij, Peter Y.; Sita, Lawrence R.","Small-Molecule Activation within the Group 6 Complexes (η5-C5Me5)[N(iPr)C(Me)N(iPr)]M(CO)(L) for M = Mo, W and L = N2, NCMe, η2-Alkene, SMe2, C3H6O","Organometallics","2016","35","8","1132","","10.1021/acs.organomet.6b00131","","","0.71073","MoKα","","0.019","0.0178","","","0.0383","0.0388","","","","","","1","","","","has coordinates","182521","2020-10-21","18:00:00",""
"4086461","18.753","0.0009","18.753","0.0009","22.8532","0.0011","90","","90","","90","","8036.9","0.7","150","2","150","2","","","","","","","","5","I 41/a :2","-I 4ad","88","","W-complex","","- C38 H64 N6 O2 W2 -","- C38 H64 N6 O2 W2 -","- C304 H512 N48 O16 W16 -","8","0.5","","Farrell, Wesley S.; Yonke, Brendan L.; Reeds, Jonathan P.; Zavalij, Peter Y.; Sita, Lawrence R.","Small-Molecule Activation within the Group 6 Complexes (η5-C5Me5)[N(iPr)C(Me)N(iPr)]M(CO)(L) for M = Mo, W and L = N2, NCMe, η2-Alkene, SMe2, C3H6O","Organometallics","2016","35","8","1132","","10.1021/acs.organomet.6b00131","","","0.71073","MoKα","","0.0195","0.0154","","","0.0313","0.0321","","","","","","0.998","","","","has coordinates,has disorder","182521","2020-10-21","18:00:00",""
"4086462","10.4346","0.0013","14.3892","0.0018","15.865","0.002","71.624","0.002","70.902","0.002","83.656","0.002","2136.1","0.5","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","W-complex","","- C40 H70 N6 W2 -","- C40 H70 N6 W2 -","- C80 H140 N12 W4 -","2","1","","Farrell, Wesley S.; Yonke, Brendan L.; Reeds, Jonathan P.; Zavalij, Peter Y.; Sita, Lawrence R.","Small-Molecule Activation within the Group 6 Complexes (η5-C5Me5)[N(iPr)C(Me)N(iPr)]M(CO)(L) for M = Mo, W and L = N2, NCMe, η2-Alkene, SMe2, C3H6O","Organometallics","2016","35","8","1132","","10.1021/acs.organomet.6b00131","","","0.71073","MoKα","","0.0326","0.0236","","","0.0471","0.0493","","","","","","1.001","","","","has coordinates","182521","2020-10-21","18:00:00",""
"4086463","16.8649","0.0014","15.3436","0.0013","19.7758","0.0017","90","","90","","90","","5117.3","0.7","150","2","150","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","Mo-complex","","- C27 H40 Mo N2 O -","- C27 H40 Mo N2 O -","- C216 H320 Mo8 N16 O8 -","8","1","","Farrell, Wesley S.; Yonke, Brendan L.; Reeds, Jonathan P.; Zavalij, Peter Y.; Sita, Lawrence R.","Small-Molecule Activation within the Group 6 Complexes (η5-C5Me5)[N(iPr)C(Me)N(iPr)]M(CO)(L) for M = Mo, W and L = N2, NCMe, η2-Alkene, SMe2, C3H6O","Organometallics","2016","35","8","1132","","10.1021/acs.organomet.6b00131","","","0.71073","MoKα","","0.0232","0.0199","","","0.0458","0.0471","","","","","","1","","","","has coordinates","182521","2020-10-21","18:00:00",""
"4086464","16.5102","0.0014","15.967","0.0014","16.7203","0.0015","90","","90","","90","","4407.8","0.7","150","2","150","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","Mo-cluster JPR-5-34","","- C22 H38 Mo N2 O2 -","- C22 H38 Mo N2 O2 -","- C176 H304 Mo8 N16 O16 -","8","1","","Farrell, Wesley S.; Yonke, Brendan L.; Reeds, Jonathan P.; Zavalij, Peter Y.; Sita, Lawrence R.","Small-Molecule Activation within the Group 6 Complexes (η5-C5Me5)[N(iPr)C(Me)N(iPr)]M(CO)(L) for M = Mo, W and L = N2, NCMe, η2-Alkene, SMe2, C3H6O","Organometallics","2016","35","8","1132","","10.1021/acs.organomet.6b00131","","","0.71073","MoKα","","0.0233","0.0204","","","0.0435","0.0444","","","","","","1","","","","has coordinates","182521","2020-10-21","18:00:00",""
"4086465","16.53","0.0018","16.7134","0.0018","16.7288","0.0018","90","","90","","90","","4621.7","0.9","150","2","150","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","Mo-complex JPR-5-57","","- C23 H38 Mo N2 O3 -","- C23 H38 Mo N2 O3 -","- C184 H304 Mo8 N16 O24 -","8","1","","Farrell, Wesley S.; Yonke, Brendan L.; Reeds, Jonathan P.; Zavalij, Peter Y.; Sita, Lawrence R.","Small-Molecule Activation within the Group 6 Complexes (η5-C5Me5)[N(iPr)C(Me)N(iPr)]M(CO)(L) for M = Mo, W and L = N2, NCMe, η2-Alkene, SMe2, C3H6O","Organometallics","2016","35","8","1132","","10.1021/acs.organomet.6b00131","","","0.71073","MoKα","","0.0272","0.0225","","","0.0475","0.0491","","","","","","1","","","","has coordinates","182521","2020-10-21","18:00:00",""
"4086466","8.7355","0.0004","15.6039","0.0006","16.2732","0.0007","90","","90","","90","","2218.17","0.16","150","2","150","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","W-complex","W-complex","","- C21 H38 N2 O S W -","- C21 H38 N2 O S W -","- C84 H152 N8 O4 S4 W4 -","4","1","","Farrell, Wesley S.; Yonke, Brendan L.; Reeds, Jonathan P.; Zavalij, Peter Y.; Sita, Lawrence R.","Small-Molecule Activation within the Group 6 Complexes (η5-C5Me5)[N(iPr)C(Me)N(iPr)]M(CO)(L) for M = Mo, W and L = N2, NCMe, η2-Alkene, SMe2, C3H6O","Organometallics","2016","35","8","1132","","10.1021/acs.organomet.6b00131","","","0.71073","MoKα","","0.0178","0.0156","","","0.0315","0.0322","","","","","","1","","","","has coordinates","182521","2020-10-21","18:00:00",""
"4086467","10.3802","0.0004","15.4178","0.0006","30.7393","0.0013","90","","90","","90","","4919.5","0.3","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","W-complex","","- C26 H42 N2 O W -","- C26 H42 N2 O W -","- C208 H336 N16 O8 W8 -","8","1","","Farrell, Wesley S.; Yonke, Brendan L.; Reeds, Jonathan P.; Zavalij, Peter Y.; Sita, Lawrence R.","Small-Molecule Activation within the Group 6 Complexes (η5-C5Me5)[N(iPr)C(Me)N(iPr)]M(CO)(L) for M = Mo, W and L = N2, NCMe, η2-Alkene, SMe2, C3H6O","Organometallics","2016","35","8","1132","","10.1021/acs.organomet.6b00131","","","0.71073","MoKα","","0.0322","0.0217","","","0.0459","0.0498","","","","","","1.02","","","","has coordinates","182521","2020-10-21","18:00:00",""
"4086468","15.1265","0.0019","9.0774","0.0011","16.571","0.002","90","","107.008","0.0019","90","","2175.8","0.5","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","W-complex","","- C22 H40 N2 W -","- C22 H40 N2 W -","- C88 H160 N8 W4 -","4","1","","Farrell, Wesley S.; Yonke, Brendan L.; Reeds, Jonathan P.; Zavalij, Peter Y.; Sita, Lawrence R.","Small-Molecule Activation within the Group 6 Complexes (η5-C5Me5)[N(iPr)C(Me)N(iPr)]M(CO)(L) for M = Mo, W and L = N2, NCMe, η2-Alkene, SMe2, C3H6O","Organometallics","2016","35","8","1132","","10.1021/acs.organomet.6b00131","","","0.71073","MoKα","","0.0336","0.0271","","","0.066","0.0699","","","","","","1.06","","","","has coordinates","182521","2020-10-21","18:00:00",""
"4086469","14.706","0.0007","16.2987","0.0007","18.115","0.0008","114.275","0.0007","95.7166","0.0007","111.845","0.0007","3506.3","0.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","Mo-complex","","- C24 H40 Mo N2 O -","- C24 H40 Mo N2 O -","- C144 H240 Mo6 N12 O6 -","6","3","","Farrell, Wesley S.; Yonke, Brendan L.; Reeds, Jonathan P.; Zavalij, Peter Y.; Sita, Lawrence R.","Small-Molecule Activation within the Group 6 Complexes (η5-C5Me5)[N(iPr)C(Me)N(iPr)]M(CO)(L) for M = Mo, W and L = N2, NCMe, η2-Alkene, SMe2, C3H6O","Organometallics","2016","35","8","1132","","10.1021/acs.organomet.6b00131","","","0.71073","MoKα","","0.0505","0.0368","","","0.0789","0.0851","","","","","","1","","","","has coordinates","182521","2020-10-21","18:00:00",""
"4086470","16.0179","0.0007","19.2185","0.0009","17.0818","0.0008","90","","108.684","0.0007","90","","4981.3","0.4","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Mo-complex","","- C26 H42 Mo N2 O -","- C26 H42 Mo N2 O -","- C208 H336 Mo8 N16 O8 -","8","2","","Farrell, Wesley S.; Yonke, Brendan L.; Reeds, Jonathan P.; Zavalij, Peter Y.; Sita, Lawrence R.","Small-Molecule Activation within the Group 6 Complexes (η5-C5Me5)[N(iPr)C(Me)N(iPr)]M(CO)(L) for M = Mo, W and L = N2, NCMe, η2-Alkene, SMe2, C3H6O","Organometallics","2016","35","8","1132","","10.1021/acs.organomet.6b00131","","","0.71073","MoKα","","0.0619","0.0458","","","0.0915","0.0962","","","","","","1.28","","","","has coordinates,has disorder","182521","2020-10-21","18:00:00",""
"4086471","8.5609","0.0004","14.9826","0.0006","16.3968","0.0007","90","","90","","90","","2103.13","0.16","100","2","100","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","W-complex","","- C21 H36 N2 O W -","- C21 H36 N2 O W -","- C84 H144 N8 O4 W4 -","4","1","","Farrell, Wesley S.; Yonke, Brendan L.; Reeds, Jonathan P.; Zavalij, Peter Y.; Sita, Lawrence R.","Small-Molecule Activation within the Group 6 Complexes (η5-C5Me5)[N(iPr)C(Me)N(iPr)]M(CO)(L) for M = Mo, W and L = N2, NCMe, η2-Alkene, SMe2, C3H6O","Organometallics","2016","35","8","1132","","10.1021/acs.organomet.6b00131","","","0.71073","MoKα","","0.0222","0.0203","","","0.0413","0.042","","","","","","1","","","","has coordinates","182521","2020-10-21","18:00:00",""
"4086472","10.0512","0.0007","18.766","0.0012","19.7903","0.0014","106.247","0.0019","100.462","0.0016","100.808","0.002","3410.1","0.4","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C35 H51 O2 P Ru Si2 -","- C35 H51 O2 P Ru Si2 -","- C140 H204 O8 P4 Ru4 Si8 -","4","2","","Komuro, Takashi; Kitano, Takeo; Yamahira, Nobukazu; Ohta, Keisuke; Okawara, Satoshi; Mager, Nathalie; Okazaki, Masaaki; Tobita, Hiromi","Directedortho-C‒H Silylation Coupled withtrans-Selective Hydrogenation of Arylalkynes Catalyzed by Ruthenium Complexes of a Xanthene-BasedSi,O,Si-Chelate Ligand, “Xantsil”","Organometallics","2016","35","9","1209","","10.1021/acs.organomet.5b01013","","","0.71069","MoKα","","0.097","0.0746","","","0.1598","0.1747","","","","","","1.213","","","","has coordinates","183607","2020-10-21","18:00:00",""
"4086473","8.176","0.004","20.602","0.011","21.311","0.012","90","","90","","90","","3590","3","173","2","173","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C22 H22 Si -","- C22 H22 Si -","- C176 H176 Si8 -","8","2","","Komuro, Takashi; Kitano, Takeo; Yamahira, Nobukazu; Ohta, Keisuke; Okawara, Satoshi; Mager, Nathalie; Okazaki, Masaaki; Tobita, Hiromi","Directedortho-C‒H Silylation Coupled withtrans-Selective Hydrogenation of Arylalkynes Catalyzed by Ruthenium Complexes of a Xanthene-BasedSi,O,Si-Chelate Ligand, “Xantsil”","Organometallics","2016","35","9","1209","","10.1021/acs.organomet.5b01013","","","0.71069","MoKα","","0.1148","0.0523","","","0.0978","0.118","","","","","","0.809","","","","has coordinates","183607","2020-10-21","18:00:00",""
"4086474","7.6575","0.0005","12.3403","0.0008","16.1955","0.0011","104.659","0.006","92.163","0.005","98.373","0.005","1460.35","0.17","110","2","110","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H12 Fe N2 O5 -","- C16 H12 Fe N2 O5 -","- C64 H48 Fe4 N8 O20 -","4","2","","Korb, Marcus; Swarts, Pieter J.; Miesel, Dominique; Hildebrandt, Alexander; Swarts, Jannie C.; Lang, Heinrich","Nucleophilic Aromatic Substitution Reactions for the Synthesis of Ferrocenyl Aryl Ethers","Organometallics","2016","35","9","1287","","10.1021/acs.organomet.6b00157","","","0.71073","MoKα","","0.0507","0.0397","","","0.083","0.088","","","","","","1.015","","","","has coordinates","183605","2020-10-21","18:00:00",""
"4086475","11.065","0.003","10.792","0.002","11.8254","0.0016","90","","107.86","0.02","90","","1344.1","0.5","110","","110","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C16 H13 Fe N O3 -","- C16 H13 Fe N O3 -","- C64 H52 Fe4 N4 O12 -","4","1","","Korb, Marcus; Swarts, Pieter J.; Miesel, Dominique; Hildebrandt, Alexander; Swarts, Jannie C.; Lang, Heinrich","Nucleophilic Aromatic Substitution Reactions for the Synthesis of Ferrocenyl Aryl Ethers","Organometallics","2016","35","9","1287","","10.1021/acs.organomet.6b00157","","","0.71073","MoKα","","0.0779","0.0483","","","0.079","0.0878","","","","","","0.98","","","","has coordinates","183605","2020-10-21","18:00:00",""
"4086476","5.8849","0.0002","5.8849","0.0002","21.4266","0.0009","90","","90","","90","","742.05","0.05","110","5","110","5","","","","","","","","5","P 43 21 2","P 4nw 2abw","96","","","","- C6 H2 F2 N2 O4 -","- C6 H2 F2 N2 O4 -","- C24 H8 F8 N8 O16 -","4","0.5","","Korb, Marcus; Swarts, Pieter J.; Miesel, Dominique; Hildebrandt, Alexander; Swarts, Jannie C.; Lang, Heinrich","Nucleophilic Aromatic Substitution Reactions for the Synthesis of Ferrocenyl Aryl Ethers","Organometallics","2016","35","9","1287","","10.1021/acs.organomet.6b00157","","","0.71073","MoKα","","0.0434","0.0362","","","0.081","0.0869","","","","","","1.073","","","","has coordinates","183605","2020-10-21","18:00:00",""
"4086477","7.6777","0.0006","10.0784","0.0006","14.2577","0.0013","90","","105.261","0.009","90","","1064.34","0.15","110","","110","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C26 H20 Fe2 N2 O6 -","- C26 H20 Fe2 N2 O6 -","- C52 H40 Fe4 N4 O12 -","2","1","","Korb, Marcus; Swarts, Pieter J.; Miesel, Dominique; Hildebrandt, Alexander; Swarts, Jannie C.; Lang, Heinrich","Nucleophilic Aromatic Substitution Reactions for the Synthesis of Ferrocenyl Aryl Ethers","Organometallics","2016","35","9","1287","","10.1021/acs.organomet.6b00157","","","0.71073","MoKα","","0.0736","0.0545","","","0.1061","0.1164","","","","","","0.999","","","","has coordinates","183605","2020-10-21","18:00:00",""
"4086478","18.0108","0.0004","7.4492","0.0002","22.7498","0.0006","90","","107.779","0.002","90","","2906.48","0.13","110","","110","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C16 H11 F Fe N2 O5 -","- C16 H11 F Fe N2 O5 -","- C128 H88 F8 Fe8 N16 O40 -","8","2","","Korb, Marcus; Swarts, Pieter J.; Miesel, Dominique; Hildebrandt, Alexander; Swarts, Jannie C.; Lang, Heinrich","Nucleophilic Aromatic Substitution Reactions for the Synthesis of Ferrocenyl Aryl Ethers","Organometallics","2016","35","9","1287","","10.1021/acs.organomet.6b00157","","","0.71073","MoKα","","0.0496","0.0354","","","0.0773","0.0822","","","","","","1.026","","","","has coordinates","183605","2020-10-21","18:00:00",""
"4086479","7.5258","0.0007","10.2827","0.0009","21.647","0.003","90","","90","","90","","1675.2","0.3","110","","110","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C18 H17 Fe N3 O5 -","- C18 H17 Fe N3 O5 -","- C72 H68 Fe4 N12 O20 -","4","1","","Korb, Marcus; Swarts, Pieter J.; Miesel, Dominique; Hildebrandt, Alexander; Swarts, Jannie C.; Lang, Heinrich","Nucleophilic Aromatic Substitution Reactions for the Synthesis of Ferrocenyl Aryl Ethers","Organometallics","2016","35","9","1287","","10.1021/acs.organomet.6b00157","","","0.71073","MoKα","","0.1113","0.0877","","","0.1995","0.213","","","","","","1.028","","","","has coordinates","183605","2020-10-21","18:00:00",""
"4086480","19.9437","0.0009","9.7162","0.0005","28.3252","0.0014","90","","94.255","0.004","90","","5473.6","0.5","110","2","110","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C27 H21 Cl3 Fe2 N2 O6 -","- C27 H21 Cl3 Fe2 N2 O6 -","- C216 H168 Cl24 Fe16 N16 O48 -","8","1","","Korb, Marcus; Swarts, Pieter J.; Miesel, Dominique; Hildebrandt, Alexander; Swarts, Jannie C.; Lang, Heinrich","Nucleophilic Aromatic Substitution Reactions for the Synthesis of Ferrocenyl Aryl Ethers","Organometallics","2016","35","9","1287","","10.1021/acs.organomet.6b00157","","","0.71073","MoKα","","0.0462","0.0357","","","0.0857","0.0911","","","","","","1.062","","","","has coordinates,has disorder","183605","2020-10-21","18:00:00",""
"4086481","7.4788","0.0005","8.7046","0.0005","14.8166","0.0009","99.292","0.005","92.546","0.005","105.141","0.005","915.05","0.1","110","2","110","2","","","","","","","","7","P -1","-P 1","2","","","","- C17 H11 F3 Fe N2 O7 S -","- C17 H11 F3 Fe N2 O7 S -","- C34 H22 F6 Fe2 N4 O14 S2 -","2","1","","Korb, Marcus; Swarts, Pieter J.; Miesel, Dominique; Hildebrandt, Alexander; Swarts, Jannie C.; Lang, Heinrich","Nucleophilic Aromatic Substitution Reactions for the Synthesis of Ferrocenyl Aryl Ethers","Organometallics","2016","35","9","1287","","10.1021/acs.organomet.6b00157","","","0.71073","MoKα","","0.0449","0.0357","","","0.0811","0.0863","","","","","","1.048","","","","has coordinates","183605","2020-10-21","18:00:00",""
"4086482","38.7351","0.0011","8.6777","0.0002","18.4517","0.0005","90","","90.868","0.002","90","","6201.5","0.3","150","2","150","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C23 H53 Cl2 Co N4 O2 Si -","- C23 H53 Cl2 Co N4 O2 Si -","- C184 H424 Cl16 Co8 N32 O16 Si8 -","8","1","","Cook, Timothy D.; Natoli, Sean N.; Fanwick, Phillip E.; Ren, Tong","CoIII(cyclam) Oligoynyls: Monomeric Oligoynyl Complexes and Dimeric Complexes with an Oligoyn-diyl Bridge","Organometallics","2016","","","","","10.1021/acs.organomet.6b00219","","","0.71073","MoKα","","0.0658","0.0411","","","0.0977","0.1068","","","","","","1.057","","","","has coordinates,has disorder","182448","2020-10-21","18:00:00",""
"4086483","12.1962","0.0006","12.1069","0.0005","14.9841","0.0007","90","","107.902","0.004","90","","2105.4","0.17","200","2","200","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C19 H30 Cl Co N4 O -","- C19 H30 Cl Co N4 O -","- C76 H120 Cl4 Co4 N16 O4 -","4","1","","Cook, Timothy D.; Natoli, Sean N.; Fanwick, Phillip E.; Ren, Tong","CoIII(cyclam) Oligoynyls: Monomeric Oligoynyl Complexes and Dimeric Complexes with an Oligoyn-diyl Bridge","Organometallics","2016","","","","","10.1021/acs.organomet.6b00219","","","1.54178","CuKα","","0.0608","0.0547","","","0.1528","0.1594","","","","","","1.055","","","","has coordinates","182448","2020-10-21","18:00:00",""
"4086484","24.824","0.0007","7.6391","0.0002","19.786","0.0006","90","","96.774","0.001","90","","3725.89","0.18","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C15 H29 Cl2 Co N4 O -","- C15 H29 Cl2 Co N4 O -","- C120 H232 Cl16 Co8 N32 O8 -","8","1","","Cook, Timothy D.; Natoli, Sean N.; Fanwick, Phillip E.; Ren, Tong","CoIII(cyclam) Oligoynyls: Monomeric Oligoynyl Complexes and Dimeric Complexes with an Oligoyn-diyl Bridge","Organometallics","2016","","","","","10.1021/acs.organomet.6b00219","","","0.71073","MoKα","","0.0611","0.0373","","","0.086","0.0934","","","","","","1.066","","","","has coordinates","182448","2020-10-21","18:00:00",""
"4086485","10.7457","0.0004","17.4105","0.0013","12.7145","0.0008","90","","100.495","0.004","90","","2338.9","0.2","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C18 H33 Cl2 Co N4 O2 -","- C18 H33 Cl2 Co N4 O2 -","- C72 H132 Cl8 Co4 N16 O8 -","4","1","","Cook, Timothy D.; Natoli, Sean N.; Fanwick, Phillip E.; Ren, Tong","CoIII(cyclam) Oligoynyls: Monomeric Oligoynyl Complexes and Dimeric Complexes with an Oligoyn-diyl Bridge","Organometallics","2016","","","","","10.1021/acs.organomet.6b00219","","","0.71073","MoKα","","0.0633","0.0362","","","0.0827","0.0897","","","","","","1.03","","","","has coordinates","182448","2020-10-21","18:00:00",""
"4086486","8.0203","0.0003","9.862","0.0006","11.8682","0.0006","105.879","0.004","106.443","0.003","93.774","0.003","855.47","0.08","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C26 H56 Cl4 Co2 N8 O2 -","- C26.002 H56.008 Cl4 Co2 N8 O2.002 -","- C26.002 H56.008 Cl4 Co2 N8 O2.002 -","1","0.5","","Cook, Timothy D.; Natoli, Sean N.; Fanwick, Phillip E.; Ren, Tong","CoIII(cyclam) Oligoynyls: Monomeric Oligoynyl Complexes and Dimeric Complexes with an Oligoyn-diyl Bridge","Organometallics","2016","","","","","10.1021/acs.organomet.6b00219","","","0.71073","MoKα","","0.0598","0.0442","","","0.0891","0.0941","","","","","","1.078","","","","has coordinates,has disorder","182448","2020-10-21","18:00:00",""
"4086487","10.7889","0.0006","14.3914","0.0009","15.047","0.0009","63.56","0.003","73.33","0.003","75.371","0.003","1982.7","0.2","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C30 H64 Cl4 Co2 N8 O4 -","- C30 H64 Cl4 Co2 N8 O4 -","- C60 H128 Cl8 Co4 N16 O8 -","2","1","","Cook, Timothy D.; Natoli, Sean N.; Fanwick, Phillip E.; Ren, Tong","CoIII(cyclam) Oligoynyls: Monomeric Oligoynyl Complexes and Dimeric Complexes with an Oligoyn-diyl Bridge","Organometallics","2016","","","","","10.1021/acs.organomet.6b00219","","","0.71073","MoKα","","0.0711","0.0475","","","0.1303","0.1413","","","","","","0.958","","","","has coordinates","182448","2020-10-21","18:00:00",""
"4086488","9.844","0.003","15.481","0.004","15.963","0.004","96.647","0.018","91.394","0.017","108.29","0.019","2289.5","1.1","200","2","200","2","","","","","","","","6","P -1","-P 1","2","","","","- C33 H68 Cl4 Co2 N8 O5 -","- C33 H68 Cl4 Co2 N8 O5 -","- C66 H136 Cl8 Co4 N16 O10 -","2","1","","Cook, Timothy D.; Natoli, Sean N.; Fanwick, Phillip E.; Ren, Tong","CoIII(cyclam) Oligoynyls: Monomeric Oligoynyl Complexes and Dimeric Complexes with an Oligoyn-diyl Bridge","Organometallics","2016","","","","","10.1021/acs.organomet.6b00219","","","1.54178","CuKα","","0.1484","0.1084","","","0.2906","0.334","","","","","","1.041","","","","has coordinates,has disorder","182448","2020-10-21","18:00:00",""
"4086489","7.9397","0.0005","14.8891","0.0009","19.9806","0.001","100.896","0.004","90.691","0.004","92.012","0.005","2317.6","0.2","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C38 H64 Cl4 Co2 N8 O4 -","- C38 H64 Cl4 Co2 N8 O4 -","- C76 H128 Cl8 Co4 N16 O8 -","2","1","","Cook, Timothy D.; Natoli, Sean N.; Fanwick, Phillip E.; Ren, Tong","CoIII(cyclam) Oligoynyls: Monomeric Oligoynyl Complexes and Dimeric Complexes with an Oligoyn-diyl Bridge","Organometallics","2016","","","","","10.1021/acs.organomet.6b00219","","","1.54178","CuKα","","0.069","0.0587","","","0.1618","0.1734","","","","","","1.04","","","","has coordinates","182448","2020-10-21","18:00:00",""
"4086490","10.267","0.003","12.072","0.003","13.731","0.003","68.644","0.011","79.66","0.012","80.28","0.014","1549.3","0.7","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","","","- C17 H16 Cl N3 Ni -","- C17 H16 Cl N3 Ni -","- C68 H64 Cl4 N12 Ni4 -","4","2","","Patel, Ulhas N.; Pandey, Dilip K.; Gonnade, Rajesh G.; Punji, Benudhar","Synthesis of Quinoline-Based NNN-Pincer Nickel(II) Complexes: A Robust and Improved Catalyst System for C‒H Bond Alkylation of Azoles with Alkyl Halides","Organometallics","2016","35","11","1785","","10.1021/acs.organomet.6b00201","","","0.71073","MoKα","","0.0357","0.0296","","","0.0695","0.0728","","","","","","1.032","","","","has coordinates","183601","2020-10-21","18:00:00",""
"4086491","10.6057","0.0003","10.6136","0.0003","15.5632","0.0004","96.408","0.001","109.303","0.001","107.351","0.001","1534.59","0.08","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","","","- C17 H16 Br N3 Ni -","- C17 H16 Br N3 Ni -","- C68 H64 Br4 N12 Ni4 -","4","2","","Patel, Ulhas N.; Pandey, Dilip K.; Gonnade, Rajesh G.; Punji, Benudhar","Synthesis of Quinoline-Based NNN-Pincer Nickel(II) Complexes: A Robust and Improved Catalyst System for C‒H Bond Alkylation of Azoles with Alkyl Halides","Organometallics","2016","35","11","1785","","10.1021/acs.organomet.6b00201","","","0.71073","MoKα","","0.0335","0.0288","","","0.0694","0.0715","","","","","","1.078","","","","has coordinates","183601","2020-10-21","18:00:00",""
"4086492","7.901","0.0011","27.393","0.004","8.476","0.0011","90","","108.169","0.002","90","","1743","0.4","130","2","130","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H20 Br N3 Ni -","- C19 H20 Br N3 Ni -","- C76 H80 Br4 N12 Ni4 -","4","1","","Patel, Ulhas N.; Pandey, Dilip K.; Gonnade, Rajesh G.; Punji, Benudhar","Synthesis of Quinoline-Based NNN-Pincer Nickel(II) Complexes: A Robust and Improved Catalyst System for C‒H Bond Alkylation of Azoles with Alkyl Halides","Organometallics","2016","35","11","1785","","10.1021/acs.organomet.6b00201","","","0.71073","MoKα","","0.032","0.0238","","","0.051","0.0542","","","","","","1.019","","","","has coordinates","183601","2020-10-21","18:00:00",""
"4086493","12.489","","16.711","","15.655","","90","","98.11","","90","","3234.58","","173","1","173","1","","","","","","","synthesis as described","6","P 1 21/n 1","-P 2yn","14","","","","- C76 H56 B2 N14 Pb2 Pt2 -","- C76 H56 B2 N14 Pb2 Pt2 -","- C152 H112 B4 N28 Pb4 Pt4 -","2","0.5","","Díez, Álvaro; Lalinde, Elena; Moreno, M. Teresa; Ruiz, Santiago","Structural and Photophysical Study on Alkynyl Cyclometalated Pt2Pb2and Pt2Pb Clusters","Organometallics","2016","","","","","10.1021/acs.organomet.6b00162","","x-ray","0.71073","MoKα","","0.0418","0.0313","","","0.0922","0.1247","","","","","","1.197","","","","has coordinates","182643","2020-10-21","18:00:00",""
"4086494","12.678","0.0002","13.1485","0.0003","24.0521","0.0006","91.8073","0.0008","101.352","0.0014","106.02","0.0014","3762.6","0.14","173","2","173","2","","","","","","","synthesis as described","8","P -1","-P 1","2","Compound X","","","- C40.5 H33 B Cl N7 O2 Pb Pt -","- C40.5 H33 B Cl N7 O2 Pb Pt -","- C162 H132 B4 Cl4 N28 O8 Pb4 Pt4 -","4","2","","Díez, Álvaro; Lalinde, Elena; Moreno, M. Teresa; Ruiz, Santiago","Structural and Photophysical Study on Alkynyl Cyclometalated Pt2Pb2and Pt2Pb Clusters","Organometallics","2016","","","","","10.1021/acs.organomet.6b00162","","x-ray","0.71073","MoKα","","0.0474","0.0339","","","0.0945","0.1023","","","","","","0.925","","","","has coordinates","190287","2020-10-21","18:00:00",""
"4086495","12.7567","0.0003","15.2714","0.0004","22.8713","0.0004","87.901","0.001","82.966","0.001","84.314","0.001","4398.97","0.17","173","1","173","1","","","","","","","synthesis as described","8","P -1","-P 1","2","","","","- C89 H80 B Cl6 F12 N9 Pb Pt2 -","- C89 H80 B Cl6 F12 N9 Pb Pt2 -","- C178 H160 B2 Cl12 F24 N18 Pb2 Pt4 -","2","1","","Díez, Álvaro; Lalinde, Elena; Moreno, M. Teresa; Ruiz, Santiago","Structural and Photophysical Study on Alkynyl Cyclometalated Pt2Pb2and Pt2Pb Clusters","Organometallics","2016","","","","","10.1021/acs.organomet.6b00162","","x-ray","0.71073","MoKα","","0.0583","0.0436","","","0.107","0.1153","","","","","","1.018","","","","has coordinates,has disorder","182643","2020-10-21","18:00:00",""
"4086496","23.181","0.003","9.3319","0.0011","18.901","0.002","90","","121.725","0.0015","90","","3477.8","0.7","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C44 H116 O4 Si12 Sm2 -","- C44 H116 O4 Si12 Sm2 -","- C88 H232 O8 Si24 Sm4 -","2","0.25","","Pindwal, Aradhana; Ellern, Arkady; Sadow, Aaron D.","Homoleptic Divalent Dialkyl Lanthanide-Catalyzed Cross-Dehydrocoupling of Silanes and Amines","Organometallics","2016","35","11","1674","","10.1021/acs.organomet.6b00138","","","0.71073","MoKα","","0.025","0.0211","","","0.0471","0.049","","","","","","1.035","","","","has coordinates","183603","2020-10-21","18:00:00",""
"4086497","19.9684","0.0016","16.7745","0.0014","22.8246","0.0019","90","","90","","90","","7645.3","1.1","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C25 H62 N2 Si6 Yb -","- C25 H62 N2 Si6 Yb -","- C200 H496 N16 Si48 Yb8 -","8","1","","Pindwal, Aradhana; Ellern, Arkady; Sadow, Aaron D.","Homoleptic Divalent Dialkyl Lanthanide-Catalyzed Cross-Dehydrocoupling of Silanes and Amines","Organometallics","2016","35","11","1674","","10.1021/acs.organomet.6b00138","","","0.71073","MoKα","","0.0421","0.0271","","","0.0601","0.0679","","","","","","1.033","","","","has coordinates","183603","2020-10-21","18:00:00",""
"4086498","11.4634","0.0011","11.8589","0.0011","16.2723","0.0015","72.595","0.001","84.882","0.001","62.847","0.001","1875.3","0.3","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C25 H62 N2 Si6 Sm -","- C25 H62 N2 Si6 Sm -","- C50 H124 N4 Si12 Sm2 -","2","1","","Pindwal, Aradhana; Ellern, Arkady; Sadow, Aaron D.","Homoleptic Divalent Dialkyl Lanthanide-Catalyzed Cross-Dehydrocoupling of Silanes and Amines","Organometallics","2016","35","11","1674","","10.1021/acs.organomet.6b00138","","","0.71073","MoKα","","0.0259","0.0223","","","0.0495","0.0536","","","","","","1.051","","","","has coordinates","183603","2020-10-21","18:00:00",""
"4086499","13.2652","0.0006","13.7595","0.0006","14.0517","0.0006","92.399","0.002","111.005","0.002","100.969","0.002","2333.57","0.18","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C56 H43 N4 Rh -","- C56 H43 N4 Rh -","- C112 H86 N8 Rh2 -","2","1","","Wong, Ka Lai; Chen, Chen; Chan, Kin Shing","Base-Promoted Vinyl Carbon‒Bromine Bond Cleavage by Group 9 Metalloporphyrin Complexes","Organometallics","2016","35","11","1847","","10.1021/acs.organomet.6b00228","","","0.71073","MoKα","","0.1151","0.075","","","0.2261","0.2625","","","","","","1.089","","","","has coordinates","183600","2020-10-21","18:00:00",""
"4086500","19.93306","0.00018","11.24577","0.00008","62.0951","0.0005","90","","94.719","0.0008","90","","13872.2","0.2","120","1","120","1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C40 H58 Li O3 Tb -","- C40 H58 Li O3 Tb -","- C640 H928 Li16 O48 Tb16 -","16","2","","Hiller, Markus; Maier, Martin; Wadepohl, Hubert; Enders, Markus","Paramagnetic NMR Analysis of Substituted Biscyclooctatetraene Lanthanide Complexes","Organometallics","2016","35","11","1916","","10.1021/acs.organomet.6b00241","","x-ray","1.54184","CuKα","","0.0328","0.0305","","","0.0643","0.0651","","","","","","1.108","","","","has coordinates,has disorder","183602","2020-10-21","18:00:00",""
"4086501","19.54","0.001","11.751","0.001","18.521","0.001","90","","102.993","0.001","90","","4143.8","0.5","150","0.1","150","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C42 H72 P3 Tm -","- C42 H72 P3 Tm -","- C168 H288 P12 Tm4 -","4","1","","Jaroschik, Florian; Momin, Aurélien; Martinez, Agathe; Harakat, Dominique; Ricard, Louis; Le Goff, Xavier Frédéric; Nocton, Grégory","Synthesis and Characterization of 1,1′-Diphosphaplumbocenes: Oxidative Ligand Transfer Reactions with Divalent Thulium Complexes","Organometallics","2016","35","11","2032","","10.1021/acs.organomet.6b00313","","","0.71069","MoKα","","0.0406","0.0323","","","0.0707","0.075","","","","","","1.156","","","","has coordinates","183604","2020-10-21","18:00:00",""
"4086502","11.845","0.001","15.665","0.001","19.616","0.001","90","","125.591","0.003","90","","2959.8","0.4","150","0.1","150","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C28 H48 P2 Pb -","- C28 H48 P2 Pb -","- C112 H192 P8 Pb4 -","4","1","","Jaroschik, Florian; Momin, Aurélien; Martinez, Agathe; Harakat, Dominique; Ricard, Louis; Le Goff, Xavier Frédéric; Nocton, Grégory","Synthesis and Characterization of 1,1′-Diphosphaplumbocenes: Oxidative Ligand Transfer Reactions with Divalent Thulium Complexes","Organometallics","2016","35","11","2032","","10.1021/acs.organomet.6b00313","","","0.71069","MoKα","","0.0411","0.0247","","","0.0471","0.0503","","","","","","1.01","","","","has coordinates","183604","2020-10-21","18:00:00",""
"4086503","15.1911","0.0004","16.9206","0.0004","17.1163","0.0004","90","","90","","90","","4399.62","0.19","296","2","296","2","","","","","","","","5","P b c 21","P 2c -2b","29","","C25 H35 N O Ti","","- C100 H140 N4 O4 Ti4 -","- C100 H140 N4 O4 Ti4 -","- C200 H280 N8 O8 Ti8 -","2","0.5","","Nguyen, Trang T.; Kortman, Gregory D.; Hull, Kami L.","Synthesis, Cycloaddition, and Cycloreversion Reactions of Mononuclear Titanocene‒oxo Complexes","Organometallics","2016","35","11","1713","","10.1021/acs.organomet.6b00111","","x-ray","0.71073","MoKα","","0.045","0.0382","","","0.1021","0.1066","","","","","","1.009","","","","has coordinates","183599","2020-10-21","18:00:00",""
"4086504","9.8912","0.0003","17.7648","0.0006","15.3595","0.0005","90","","95.9403","0.0016","90","","2684.41","0.15","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C29 H33 F6 N O Ti -","- C29 H33 F6 N O Ti -","- C116 H132 F24 N4 O4 Ti4 -","4","1","","Nguyen, Trang T.; Kortman, Gregory D.; Hull, Kami L.","Synthesis, Cycloaddition, and Cycloreversion Reactions of Mononuclear Titanocene‒oxo Complexes","Organometallics","2016","35","11","1713","","10.1021/acs.organomet.6b00111","","x-ray","0.71073","MoKα","","0.0368","0.0311","","","0.086","0.0887","","","","","","1.035","","","","has coordinates,has disorder","211196","2020-10-21","18:00:00",""
"4086505","15.8456","0.0007","11.0731","0.0005","19.6639","0.0009","90","","97.1458","0.0014","90","","3423.4","0.3","102","2","102","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C41 H56 O2 Ti -","- C35 H42 O2 Ti -","- C140 H168 O8 Ti4 -","4","0.5","","Nguyen, Trang T.; Kortman, Gregory D.; Hull, Kami L.","Synthesis, Cycloaddition, and Cycloreversion Reactions of Mononuclear Titanocene‒oxo Complexes","Organometallics","2016","35","11","1713","","10.1021/acs.organomet.6b00111","","","1.54178","CuKα","","0.0361","0.0359","","","0.0981","0.0982","","","","","","1.089","","","","has coordinates,has disorder","183599","2020-10-21","18:00:00",""
"4086506","13.2951","0.0004","14.1131","0.0004","20.4113","0.0005","90","","90","","90","","3829.88","0.18","290.6","0.4","290.6","0.4","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C19 H28 O3 Si -","- C19 H28 O3 Si -","- C152 H224 O24 Si8 -","8","1","","Liu, Yang; Yang, Yudong; Shi, Yang; Wang, Xiaojie; Zhang, Luoqiang; Cheng, Yangyang; You, Jingsong","Rhodium-Catalyzed Oxidative Coupling of Benzoic Acids with Terminal Alkynes: An Efficient Access to 3-Ylidenephthalides","Organometallics","2016","35","10","1350","","10.1021/acs.organomet.6b00107","","x-ray","1.54184","CuKα","","0.0817","0.0758","","","0.1957","0.2061","","","","","","1.063","","","","has coordinates","183286","2020-10-21","18:00:00",""
"4086507","11.571","0.004","12.215","0.004","12.525","0.004","100.28","0.013","91.594","0.005","101.848","0.015","1700.9","1","113","2","113","2","","","","","","","","5","P -1","-P 1","2","","","","- C33 H51 Cl N4 Si2 -","- C33 H51 Cl N4 Si2 -","- C66 H102 Cl2 N8 Si4 -","2","1","","Li, Jianfeng; Ma, Bing; Cui, Chunming","Selective Silylation of Nitriles with an NHC-Stabilized Silylene to 1,2-Disilylimines and Subsequent Synthesis of Silaaziridines","Organometallics","2016","35","10","1358","","10.1021/acs.organomet.6b00152","","","1.54178","CuKα","","0.0517","0.0479","","","0.1148","0.1197","","","","","","1.098","","","","has coordinates","183285","2020-10-21","18:00:00",""
"4086508","14.804","0.003","20.954","0.004","15.085","0.003","90","","98.77","0.03","90","","4624.7","1.6","113","2","113","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C45 H70 N4 O Si2 -","- C45 H70 N4 O Si2 -","- C180 H280 N16 O4 Si8 -","4","1","","Li, Jianfeng; Ma, Bing; Cui, Chunming","Selective Silylation of Nitriles with an NHC-Stabilized Silylene to 1,2-Disilylimines and Subsequent Synthesis of Silaaziridines","Organometallics","2016","35","10","1358","","10.1021/acs.organomet.6b00152","","","0.71073","MoKα","","0.1034","0.0728","","","0.1618","0.1781","","","","","","1.082","","","","has coordinates","183285","2020-10-21","18:00:00",""
"4086509","12.1696","0.0007","12.1756","0.0008","19.4986","0.0013","96.034","0.004","98.589","0.003","108.562","0.003","2672","0.3","100","","100","1","","","","","","","","6","P -1","-P 1","2","","","","- C54 H74 Ce N6 Na O4 -","- C54 H74 Ce N6 Na O4 -","- C108 H148 Ce2 N12 Na2 O8 -","2","1","","Kim, Jee Eon; Zabula, Alexander V.; Carroll, Patrick J.; Schelter, Eric J.","1,2-Addition or Enolization? Variable Reactivity of a Cerium Acetylide Complex toward Carbonyl Compounds","Organometallics","2016","35","12","2086","","10.1021/acs.organomet.6b00290","","","0.71073","MoKα","","0.0372","0.0295","","","0.058","0.0606","","","","","","1.089","","","","has coordinates,has disorder","184943","2020-10-21","18:00:00",""
"4086510","11.9222","0.0011","19.2992","0.0019","24.236","0.002","68.518","0.005","86.5","0.005","78.672","0.005","5087.6","0.8","100","","100","1","","","","","","","","6","P -1","-P 1","2","","","","- C50 H74 Ce N6 Na O4 -","- C50 H74 Ce N6 Na O4 -","- C200 H296 Ce4 N24 Na4 O16 -","4","2","","Kim, Jee Eon; Zabula, Alexander V.; Carroll, Patrick J.; Schelter, Eric J.","1,2-Addition or Enolization? Variable Reactivity of a Cerium Acetylide Complex toward Carbonyl Compounds","Organometallics","2016","35","12","2086","","10.1021/acs.organomet.6b00290","","","0.71073","MoKα","","0.2039","0.0988","","","0.2466","0.3143","","","","","","1.055","","","","has coordinates","184943","2020-10-21","18:00:00",""
"4086511","13.5231","0.0009","14.9805","0.0011","15.6696","0.0011","82.259","0.004","71.974","0.004","74.772","0.004","2907.7","0.4","100","","100","1","","","","","","","","6","P -1","-P 1","2","","","","- C57 H78 Ce N6 Na O4 -","- C57 H78 Ce N6 Na O4 -","- C114 H156 Ce2 N12 Na2 O8 -","2","1","","Kim, Jee Eon; Zabula, Alexander V.; Carroll, Patrick J.; Schelter, Eric J.","1,2-Addition or Enolization? Variable Reactivity of a Cerium Acetylide Complex toward Carbonyl Compounds","Organometallics","2016","35","12","2086","","10.1021/acs.organomet.6b00290","","","0.71073","MoKα","","0.1038","0.0567","","","0.0896","0.1003","","","","","","0.996","","","","has coordinates","184943","2020-10-21","18:00:00",""
"4086512","12.0261","0.001","16.8822","0.0013","25.123","0.002","90","","103.532","0.004","90","","4959.1","0.7","100","","100","1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C49 H72 Ce N6 Na O4 -","- C49 H72 Ce N6 Na O4 -","- C196 H288 Ce4 N24 Na4 O16 -","4","1","","Kim, Jee Eon; Zabula, Alexander V.; Carroll, Patrick J.; Schelter, Eric J.","1,2-Addition or Enolization? Variable Reactivity of a Cerium Acetylide Complex toward Carbonyl Compounds","Organometallics","2016","35","12","2086","","10.1021/acs.organomet.6b00290","","","0.71073","MoKα","","0.0675","0.0457","","","0.1061","0.1177","","","","","","1.022","","","","has coordinates,has disorder","184943","2020-10-21","18:00:00",""
"4086513","11.9574","0.0007","23.0099","0.0013","19.0773","0.0011","90","","95.581","0.001","90","","5224","0.5","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C30 H38 N2 Th -","- C30 H38 N2 Th -","- C240 H304 N16 Th8 -","8","2","","Yang, Pikun; Zhou, Enwei; Fang, Bo; Hou, Guohua; Zi, Guofu; Walter, Marc D.","Preparation of (η5-C5Me5)2Th(bipy) and Its Reactivity toward Small Molecules","Organometallics","2016","","","","","10.1021/acs.organomet.6b00357","","","0.71073","MoKα","","0.0391","0.0278","","","0.0559","0.059","","","","","","1.025","","","","has coordinates,has disorder","183320","2020-10-21","18:00:00",""
"4086514","8.802","0.007","30.91","0.02","11.125","0.007","90","","114.59","0.05","90","","2752","3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C27 H40 N2 S2 Th -","- C27 H40 N2 S2 Th -","- C108 H160 N8 S8 Th4 -","4","1","","Yang, Pikun; Zhou, Enwei; Fang, Bo; Hou, Guohua; Zi, Guofu; Walter, Marc D.","Preparation of (η5-C5Me5)2Th(bipy) and Its Reactivity toward Small Molecules","Organometallics","2016","","","","","10.1021/acs.organomet.6b00357","","","0.71073","MoKα","","0.0798","0.0464","","","0.0807","0.0901","","","","","","0.989","","","","has coordinates","183320","2020-10-21","18:00:00",""
"4086515","15.4398","0.0017","16.1455","0.0017","27.715","0.003","90","","90","","90","","6908.9","1.3","110","2","110","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C38 H46 Se2 Th -","- C38 H46 Se2 Th -","- C304 H368 Se16 Th8 -","8","2","","Yang, Pikun; Zhou, Enwei; Fang, Bo; Hou, Guohua; Zi, Guofu; Walter, Marc D.","Preparation of (η5-C5Me5)2Th(bipy) and Its Reactivity toward Small Molecules","Organometallics","2016","","","","","10.1021/acs.organomet.6b00357","","","0.71073","MoKα","","0.0581","0.0372","","","0.0682","0.0745","","","","","","1.002","","","","has coordinates","183320","2020-10-21","18:00:00",""
"4086516","10.675","0.004","18.006","0.007","16.617","0.007","90","","97.683","0.008","90","","3165","2","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C30 H48 Si2 Th -","- C30 H48 Si2 Th -","- C120 H192 Si8 Th4 -","4","1","","Yang, Pikun; Zhou, Enwei; Fang, Bo; Hou, Guohua; Zi, Guofu; Walter, Marc D.","Preparation of (η5-C5Me5)2Th(bipy) and Its Reactivity toward Small Molecules","Organometallics","2016","","","","","10.1021/acs.organomet.6b00357","","","0.71073","MoKα","","0.0579","0.0371","","","0.0669","0.0734","","","","","","0.957","","","","has coordinates","183320","2020-10-21","18:00:00",""
"4086517","14.1507","0.0012","14.6696","0.0013","16.1013","0.0014","71.35","0.001","78.243","0.001","89.334","0.001","3095.3","0.5","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C36 H46 N2 Th -","- C36 H46 N2 Th -","- C144 H184 N8 Th4 -","4","2","","Yang, Pikun; Zhou, Enwei; Fang, Bo; Hou, Guohua; Zi, Guofu; Walter, Marc D.","Preparation of (η5-C5Me5)2Th(bipy) and Its Reactivity toward Small Molecules","Organometallics","2016","","","","","10.1021/acs.organomet.6b00357","","","0.71073","MoKα","","0.037","0.0286","","","0.0661","0.0696","","","","","","1.001","","","","has coordinates","183320","2020-10-21","18:00:00",""
"4086518","10.4662","0.001","11.7308","0.0011","17.3984","0.0016","93.16","0.002","103.261","0.002","98.499","0.002","2047.5","0.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C50 H56 N2 S Th -","- C50 H56 N2 S Th -","- C100 H112 N4 S2 Th2 -","2","1","","Yang, Pikun; Zhou, Enwei; Fang, Bo; Hou, Guohua; Zi, Guofu; Walter, Marc D.","Preparation of (η5-C5Me5)2Th(bipy) and Its Reactivity toward Small Molecules","Organometallics","2016","","","","","10.1021/acs.organomet.6b00357","","","0.71073","MoKα","","0.0554","0.0419","","","0.0783","0.0832","","","","","","1.014","","","","has coordinates","183320","2020-10-21","18:00:00",""
"4086519","20.825","0.012","22.131","0.012","17.786","0.01","90","","110.706","0.01","90","","7668","7","100","2","100","2","","","","","","","","4","P 1 2/c 1","-P 2yc","13","","","","- C43 H49 N3 Th -","- C43 H49 N3 Th -","- C344 H392 N24 Th8 -","8","2","","Yang, Pikun; Zhou, Enwei; Fang, Bo; Hou, Guohua; Zi, Guofu; Walter, Marc D.","Preparation of (η5-C5Me5)2Th(bipy) and Its Reactivity toward Small Molecules","Organometallics","2016","","","","","10.1021/acs.organomet.6b00357","","","0.71073","MoKα","","0.1108","0.0639","","","0.1517","0.1782","","","","","","1.004","","","","has coordinates","190287","2020-10-21","18:00:00",""
"4086520","8.8622","0.0012","17.413","0.002","15.9997","0.0016","90","","122.025","0.005","90","","2093.3","0.4","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C42 H60 S6 Th2 -","- C42 H60 S6 Th2 -","- C84 H120 S12 Th4 -","2","0.5","","Yang, Pikun; Zhou, Enwei; Fang, Bo; Hou, Guohua; Zi, Guofu; Walter, Marc D.","Preparation of (η5-C5Me5)2Th(bipy) and Its Reactivity toward Small Molecules","Organometallics","2016","","","","","10.1021/acs.organomet.6b00357","","","0.71073","MoKα","","0.0266","0.0219","","","0.0486","0.0501","","","","","","1.038","","","","has coordinates","183320","2020-10-21","18:00:00",""
"4086521","12.555","0.002","16.993","0.003","12.738","0.002","90","","95.557","0.003","90","","2704.8","0.8","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C60 H76 N2 S4 Th2 -","- C60 H76 N2 S4 Th2 -","- C120 H152 N4 S8 Th4 -","2","0.5","","Yang, Pikun; Zhou, Enwei; Fang, Bo; Hou, Guohua; Zi, Guofu; Walter, Marc D.","Preparation of (η5-C5Me5)2Th(bipy) and Its Reactivity toward Small Molecules","Organometallics","2016","","","","","10.1021/acs.organomet.6b00357","","","0.71073","MoKα","","0.0724","0.0515","","","0.1265","0.1387","","","","","","1.038","","","","has coordinates","183320","2020-10-21","18:00:00",""
"4086522","10.035","0.006","16.081","0.009","22.459","0.012","90","","102.689","0.01","90","","3536","3","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C40 H50 N4 Th -","- C40 H50 N4 Th -","- C160 H200 N16 Th4 -","4","1","","Yang, Pikun; Zhou, Enwei; Fang, Bo; Hou, Guohua; Zi, Guofu; Walter, Marc D.","Preparation of (η5-C5Me5)2Th(bipy) and Its Reactivity toward Small Molecules","Organometallics","2016","","","","","10.1021/acs.organomet.6b00357","","","0.71073","MoKα","","0.1289","0.0741","","","0.1733","0.2266","","","","","","0.964","","","","has coordinates","183320","2020-10-21","18:00:00",""
"4086523","21.048","0.005","16.731","0.004","17.175","0.004","90","","90","","90","","6048","2","100","2","100","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C26 H48 N4 Si2 Th -","- C26 H48 N4 Si2 Th -","- C208 H384 N32 Si16 Th8 -","8","2","","Yang, Pikun; Zhou, Enwei; Fang, Bo; Hou, Guohua; Zi, Guofu; Walter, Marc D.","Preparation of (η5-C5Me5)2Th(bipy) and Its Reactivity toward Small Molecules","Organometallics","2016","","","","","10.1021/acs.organomet.6b00357","","","0.71073","MoKα","","0.0447","0.0344","","","0.0722","0.0767","","","","","","0.938","","","","has coordinates","183320","2020-10-21","18:00:00",""
"4086524","17.2202","0.0005","20.1926","0.0007","24.1345","0.0009","90","","90","","90","","8392.1","0.5","147","2","147","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C38 H42 Ag Cl4 I N6 -","- C38 H42 Ag Cl4 I N6 -","- C304 H336 Ag8 Cl32 I8 N48 -","8","2","","Wan, Kai Y.; Lough, Alan J.; Morris, Robert H.","Transition Metal Complexes of an (S,S)-1,2-Diphenylethylamine-Functionalized N-Heterocyclic Carbene: A New Member of the Asymmetric NHC Ligand Family","Organometallics","2016","35","11","1604","","10.1021/acs.organomet.6b00031","","","1.54178","CuKα","","0.081","0.0714","","","0.1812","0.189","","","","","","1.087","","","","has coordinates","183431","2020-10-21","18:00:00",""
"4086525","12.1182","0.0003","12.9197","0.0004","15.7571","0.0005","90","","90","","90","","2466.99","0.13","147","2","147","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C22 H29 Ag F6 N3 O P -","- C22 H29 Ag F6 N3 O P -","- C88 H116 Ag4 F24 N12 O4 P4 -","4","1","","Wan, Kai Y.; Lough, Alan J.; Morris, Robert H.","Transition Metal Complexes of an (S,S)-1,2-Diphenylethylamine-Functionalized N-Heterocyclic Carbene: A New Member of the Asymmetric NHC Ligand Family","Organometallics","2016","35","11","1604","","10.1021/acs.organomet.6b00031","","","0.71073","MoKα","","0.0383","0.0351","","","0.0907","0.0925","","","","","","1.05","","","","has coordinates,has disorder","183432","2020-10-21","18:00:00",""
"4086526","18.09","0.003","10.6814","0.0016","35.951","0.005","90","","103.782","0.003","90","","6746.7","1.8","100","2","100","2","","","","","","","","4","P 1 2/n 1","-P 2yac","13","","","","- C38 H51 Ir P2 -","- C38 H51 Ir P2 -","- C304 H408 Ir8 P16 -","8","2","","Laviska, David A.; Zhou, Tian; Kumar, Akshai; Emge, Thomas J.; Krogh-Jespersen, Karsten; Goldman, Alan S.","Single and Double C‒H Activation of Biphenyl or Phenanthrene. An Example of C‒H Addition to Ir(III) More Facile than Addition to Ir(I)","Organometallics","2016","35","11","1613","","10.1021/acs.organomet.6b00055","","","0.71073","MoKα","","0.0627","0.0506","","","0.1129","0.1183","","","","","","1.024","","","","has coordinates","183471","2020-10-21","18:00:00",""
"4086527","11.5438","0.0017","18.322","0.003","16.267","0.002","90","","102.274","0.003","90","","3361.9","0.8","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C39 H51 Ir O P2 -","- C39 H51 Ir O P2 -","- C156 H204 Ir4 O4 P8 -","4","1","","Laviska, David A.; Zhou, Tian; Kumar, Akshai; Emge, Thomas J.; Krogh-Jespersen, Karsten; Goldman, Alan S.","Single and Double C‒H Activation of Biphenyl or Phenanthrene. An Example of C‒H Addition to Ir(III) More Facile than Addition to Ir(I)","Organometallics","2016","35","11","1613","","10.1021/acs.organomet.6b00055","","","0.71073","MoKα","","0.0424","0.0339","","","0.0778","0.0815","","","","","","1.006","","","","has coordinates","183471","2020-10-21","18:00:00",""
"4086528","40.4356","0.0018","40.4356","0.0018","10.8664","0.0005","90","","90","","120","","15386.7","1.2","100","2","100","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C37 H51.33 F2 Ir P2 -","- C36.9933 H51.31 F2 Ir P2 -","- C665.88 H923.58 F36 Ir18 P36 -","18","1","","Laviska, David A.; Zhou, Tian; Kumar, Akshai; Emge, Thomas J.; Krogh-Jespersen, Karsten; Goldman, Alan S.","Single and Double C‒H Activation of Biphenyl or Phenanthrene. An Example of C‒H Addition to Ir(III) More Facile than Addition to Ir(I)","Organometallics","2016","35","11","1613","","10.1021/acs.organomet.6b00055","","","0.71073","MoKα","","0.0459","0.0344","","","0.0779","0.0823","","","","","","1.006","","","","has coordinates","183471","2020-10-21","18:00:00",""
"4086529","9.308","0.002","34.568","0.01","33.811","0.009","90","","90","","90","","10879","5","100","2","100","2","","","","","","","","4","P b n a","-P 2ac 2b","60","","tris(4-[4-methyl-2,2'-bipyridyl]methyl)cyclotriguaiacylene ether clathrate","","- C64 H64 N6 O7 -","- C64 H64 N6 O7 -","- C512 H512 N48 O56 -","8","1","","Thorp-Greenwood, Flora L.; Pritchard, Victoria E.; Coogan, Michael P.; Hardie, Michaele J.","Tris(rheniumfac-tricarbonyl) Polypyridine Functionalized Cyclotriguaiacylene Ligands with Rich and Varied Emission","Organometallics","2016","35","11","1632","","10.1021/acs.organomet.6b00099","","","1.54184","CuKα","","0.2134","0.1251","","","0.3031","0.3706","","","","","","1.003","","","","has coordinates","194591","2020-10-21","18:00:00",""
"4086530","29.1454","0.0012","29.1454","0.0012","42.57","0.003","90","","90","","120","","31317","3","100","2","100","2","","","","","","","","6","R -3 :H","-R 3","148","","tribromononacarbonyl{(tris(4-[4?-methyl-2,2?-bipyridyl]methyl) cyclotriguaiacylene}trirhenium(I)nitromethane clathrate","","- C70.5 H58.5 Br3 N7.5 O18 Re3 -","- C70.5 H58.5 Br3 N7.5 O18 Re3 -","- C846 H702 Br36 N90 O216 Re36 -","12","0.666667","","Thorp-Greenwood, Flora L.; Pritchard, Victoria E.; Coogan, Michael P.; Hardie, Michaele J.","Tris(rheniumfac-tricarbonyl) Polypyridine Functionalized Cyclotriguaiacylene Ligands with Rich and Varied Emission","Organometallics","2016","35","11","1632","","10.1021/acs.organomet.6b00099","","","1.54184","CuKα","","0.1195","0.095","","","0.244","0.2583","","","","","","1.458","","","","has coordinates","264242","2021-04-16","08:51:25",""
"4086531","31.4303","0.0016","31.4303","0.0016","9.5684","0.0005","90","","90","","120","","8185.9","0.7","100","2","100","2","","","","","","","","7","P 3 2 1","P 3 2""","150","","tribromononacarbonyl(tris-(4-[2,?2',?6',?2""-?terpyridyl]?benzyl)? cyclotriguaiacylene)trirhenhium(I) dimethylsulfoxide clathrate","","- C101 H74 Br3 N9 O16 Re3 S -","- C100.99 H69 Br3 N9 O15.99 Re3 S0.99 -","- C201.98 H138 Br6 N18 O31.98 Re6 S1.98 -","2","0.333333","","Thorp-Greenwood, Flora L.; Pritchard, Victoria E.; Coogan, Michael P.; Hardie, Michaele J.","Tris(rheniumfac-tricarbonyl) Polypyridine Functionalized Cyclotriguaiacylene Ligands with Rich and Varied Emission","Organometallics","2016","35","11","1632","","10.1021/acs.organomet.6b00099","","","1.54184","CuKα","","0.0974","0.0779","","","0.2004","0.2129","","","","","","1.1","","","","has coordinates","183474","2020-10-21","18:00:00",""
"4086532","11.2089","0.0003","16.0203","0.0005","17.9337","0.0006","74.511","0.001","81.636","0.001","88.114","0.001","3070.33","0.16","123","2","123","2","","","","","","","","5","P -1","-P 1","2","","","","- C67 H98 N4 Ni O2 -","- C67 H98 N4 Ni O2 -","- C134 H196 N8 Ni2 O4 -","2","1","","Chiu, Hsin-Chun; Pearce, Adam J.; Dunn, Peter L.; Cramer, Christopher J.; Tonks, Ian A.","β-Oxo-δ-diimine Nickel Complexes: A Comparison of Tautomeric Active Species in Ethylene Polymerization Catalysis","Organometallics","2016","35","12","2076","","10.1021/acs.organomet.6b00256","","","1.54178","CuKα","","0.0368","0.0334","","","0.0855","0.0882","","","","","","1.031","","","","has coordinates,has disorder","184941","2020-10-21","18:00:00",""
"4086533","24.0019","0.0005","13.3076","0.0003","29.0717","0.0006","90","","102.4","0.001","90","","9069.1","0.3","123","2","123","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","LNiK","","","- C50 H62 K N3 Ni O -","- C50 H62 K N3 Ni O -","- C400 H496 K8 N24 Ni8 O8 -","8","1","","Chiu, Hsin-Chun; Pearce, Adam J.; Dunn, Peter L.; Cramer, Christopher J.; Tonks, Ian A.","β-Oxo-δ-diimine Nickel Complexes: A Comparison of Tautomeric Active Species in Ethylene Polymerization Catalysis","Organometallics","2016","35","12","2076","","10.1021/acs.organomet.6b00256","","","1.54178","CuKα","","0.0685","0.0562","","","0.1452","0.1533","","","","","","1.066","","","","has coordinates","184941","2020-10-21","18:00:00",""
"4086534","32.296","0.002","15.5369","0.0011","15.7168","0.0011","90","","100.985","0.001","90","","7741.9","0.9","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C43 H55 N3 Ni O -","- C43 H55 N3 Ni O -","- C344 H440 N24 Ni8 O8 -","8","1","","Chiu, Hsin-Chun; Pearce, Adam J.; Dunn, Peter L.; Cramer, Christopher J.; Tonks, Ian A.","β-Oxo-δ-diimine Nickel Complexes: A Comparison of Tautomeric Active Species in Ethylene Polymerization Catalysis","Organometallics","2016","35","12","2076","","10.1021/acs.organomet.6b00256","","","0.71073","MoKα","","0.0449","0.0326","","","0.0796","0.0862","","","","","","1.034","","","","has coordinates,has disorder","184941","2020-10-21","18:00:00",""
"4086535","19.6839","0.0005","14.0063","0.0004","17.9823","0.0005","90","","96.439","0.001","90","","4926.4","0.2","123","2","123","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C50.72 H73.16 N3 Na Ni O3 -","- C50.7155 H73.1459 N3 Na Ni O3 -","- C202.862 H292.584 N12 Na4 Ni4 O12 -","4","1","","Chiu, Hsin-Chun; Pearce, Adam J.; Dunn, Peter L.; Cramer, Christopher J.; Tonks, Ian A.","β-Oxo-δ-diimine Nickel Complexes: A Comparison of Tautomeric Active Species in Ethylene Polymerization Catalysis","Organometallics","2016","35","12","2076","","10.1021/acs.organomet.6b00256","","","1.54178","CuKα","","0.0466","0.0411","","","0.109","0.1136","","","","","","1.025","","","","has coordinates,has disorder","184941","2020-10-21","18:00:00",""
"4086536","16.2014","0.0004","13.8953","0.0003","15.0475","0.0003","90","","105.642","0.001","90","","3262.09","0.13","123","2","123","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","LNiMethylallyl","","","- C35 H50 N2 Ni O -","- C35 H50 N2 Ni O -","- C140 H200 N8 Ni4 O4 -","4","1","","Chiu, Hsin-Chun; Pearce, Adam J.; Dunn, Peter L.; Cramer, Christopher J.; Tonks, Ian A.","β-Oxo-δ-diimine Nickel Complexes: A Comparison of Tautomeric Active Species in Ethylene Polymerization Catalysis","Organometallics","2016","35","12","2076","","10.1021/acs.organomet.6b00256","","","1.54178","CuKα","","0.0348","0.0311","","","0.0776","0.0807","","","","","","1.07","","","","has coordinates,has disorder","184941","2020-10-21","18:00:00",""
"4086537","18.1208","0.0008","8.5678","0.0004","21.5224","0.0009","90","","90","","90","","3341.5","0.3","123","2","123","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C37 H51 N3 Ni O -","- C37 H51 N3 Ni O -","- C148 H204 N12 Ni4 O4 -","4","1","","Chiu, Hsin-Chun; Pearce, Adam J.; Dunn, Peter L.; Cramer, Christopher J.; Tonks, Ian A.","β-Oxo-δ-diimine Nickel Complexes: A Comparison of Tautomeric Active Species in Ethylene Polymerization Catalysis","Organometallics","2016","35","12","2076","","10.1021/acs.organomet.6b00256","","","1.54178","CuKα","","0.0301","0.0299","","","0.0808","0.0811","","","","","","1.067","","","","has coordinates","184941","2020-10-21","18:00:00",""
"4086538","11.6448","0.0005","11.2985","0.0004","29.4586","0.0012","90","","96.1498","0.0011","90","","3853.5","0.3","123","2","123","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C42 H60 N2 Ni O2 -","- C42 H60 N2 Ni O2 -","- C168 H240 N8 Ni4 O8 -","4","1","","Chiu, Hsin-Chun; Pearce, Adam J.; Dunn, Peter L.; Cramer, Christopher J.; Tonks, Ian A.","β-Oxo-δ-diimine Nickel Complexes: A Comparison of Tautomeric Active Species in Ethylene Polymerization Catalysis","Organometallics","2016","35","12","2076","","10.1021/acs.organomet.6b00256","","","1.54178","CuKα","","0.0465","0.0459","","","0.1305","0.131","","","","","","1.075","","","","has coordinates","184941","2020-10-21","18:00:00",""
"4086539","18.643","0.002","15.3367","0.0017","15.6079","0.0017","90","","94.177","0.002","90","","4450.8","0.8","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C43 H54 Li N3 Ni O -","- C43 H54 Li N3 Ni O -","- C172 H216 Li4 N12 Ni4 O4 -","4","1","","Chiu, Hsin-Chun; Pearce, Adam J.; Dunn, Peter L.; Cramer, Christopher J.; Tonks, Ian A.","β-Oxo-δ-diimine Nickel Complexes: A Comparison of Tautomeric Active Species in Ethylene Polymerization Catalysis","Organometallics","2016","35","12","2076","","10.1021/acs.organomet.6b00256","","","0.71073","MoKα","","0.0445","0.0361","","","0.1007","0.105","","","","","","1.079","","","","has coordinates,has disorder","184941","2020-10-21","18:00:00",""
"4086540","21.0498","0.0009","9.0223","0.0004","17.5494","0.0008","90","","99.5","0.002","90","","3287.2","0.3","193","2","193","2","","","","","","","","7","P 1 2/c 1","-P 2yc","13","","","","- C26 H24.33 B0.67 Co F2 N P0.33 -","- C26 H24.3333 B0.666667 Co F2 N P0.333333 -","- C156 H146 B4 Co6 F12 N6 P2 -","6","1.5","","Vanicek, Stefan; Kopacka, Holger; Wurst, Klaus; Müller, Thomas; Hassenrück, Christopher; Winter, Rainer F.; Bildstein, Benno","Monofunctionalized Cobaltocenium Compounds by Dediazoniation Reactions of Cobaltoceniumdiazonium Bis(hexafluorophosphate)","Organometallics","2016","35","12","2101","","10.1021/acs.organomet.6b00329","","","0.71073","MoKα","","0.0473","0.0394","","","0.1022","0.107","","","","","","1.048","","","","has coordinates,has disorder","184942","2020-10-21","18:00:00",""
"4086541","6.3656","0.0002","8.237","0.0003","12.7564","0.0004","105.592","0.001","98.174","0.001","93.475","0.001","634.27","0.04","170","2","170","2","","","","","","","","6","P -1","-P 1","2","","","","- C10 H9 Co F6 N3 P -","- C10 H9 Co F6 N3 P -","- C20 H18 Co2 F12 N6 P2 -","2","1","","Vanicek, Stefan; Kopacka, Holger; Wurst, Klaus; Müller, Thomas; Hassenrück, Christopher; Winter, Rainer F.; Bildstein, Benno","Monofunctionalized Cobaltocenium Compounds by Dediazoniation Reactions of Cobaltoceniumdiazonium Bis(hexafluorophosphate)","Organometallics","2016","35","12","2101","","10.1021/acs.organomet.6b00329","","","0.71073","MoKα","","0.0251","0.0239","","","0.0598","0.0606","","","","","","1.054","","","","has coordinates","184942","2020-10-21","18:00:00",""
"4086542","11.4449","0.0008","8.934","0.0006","11.4723","0.0008","90","","90","","90","","1173.03","0.14","173","2","173","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C10 H9 Co I2 -","- C10 H9 Co I2 -","- C40 H36 Co4 I8 -","4","0.5","","Vanicek, Stefan; Kopacka, Holger; Wurst, Klaus; Müller, Thomas; Hassenrück, Christopher; Winter, Rainer F.; Bildstein, Benno","Monofunctionalized Cobaltocenium Compounds by Dediazoniation Reactions of Cobaltoceniumdiazonium Bis(hexafluorophosphate)","Organometallics","2016","35","12","2101","","10.1021/acs.organomet.6b00329","","","0.71073","MoKα","","0.0223","0.0188","","","0.0433","0.0445","","","","","","1.152","","","","has coordinates","184942","2020-10-21","18:00:00",""
"4086543","12.8061","0.0006","11.8486","0.0005","16.9221","0.0008","90","","90","","90","","2567.7","0.2","193","2","193","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C10 H9 Br Co F6 P -","- C10 H9 Br Co F6 P -","- C80 H72 Br8 Co8 F48 P8 -","8","1","","Vanicek, Stefan; Kopacka, Holger; Wurst, Klaus; Müller, Thomas; Hassenrück, Christopher; Winter, Rainer F.; Bildstein, Benno","Monofunctionalized Cobaltocenium Compounds by Dediazoniation Reactions of Cobaltoceniumdiazonium Bis(hexafluorophosphate)","Organometallics","2016","35","12","2101","","10.1021/acs.organomet.6b00329","","","0.71073","MoKα","","0.0331","0.0268","","","0.0668","0.07","","","","","","1.036","","","","has coordinates","184942","2020-10-21","18:00:00",""
"4086544","6.3051","0.0003","19.326","0.0014","6.3244","0.0005","90","","118.867","0.003","90","","674.89","0.08","150","2","150","2","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","","","- C13 H21 O3 Re -","- C13 H21 O3 Re -","- C26 H42 O6 Re2 -","2","0.5","","Raju, Suresh; van Slagmaat, Christian A. M. R.; Li, Jing; Lutz, Martin; Jastrzebski, Johann T. B. H.; Moret, Marc-Etienne; Klein Gebbink, Robertus J. M.","Synthesis of Cyclopentadienyl-Based Trioxo-rhenium Complexes and Their Use as Deoxydehydration Catalysts","Organometallics","2016","35","13","2178","","10.1021/acs.organomet.6b00120","","","0.71073","MoKα","","0.0261","0.026","","","0.0648","0.0649","","","","","","1.179","","","","has coordinates","184940","2020-10-21","18:00:00",""
"4086545","8.5282","0.0002","12.0181","0.0003","14.2586","0.0003","90","","93.993","0.001","90","","1457.86","0.06","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C14 H23 O3 Re -","- C14 H23 O3 Re -","- C56 H92 O12 Re4 -","4","1","","Raju, Suresh; van Slagmaat, Christian A. M. R.; Li, Jing; Lutz, Martin; Jastrzebski, Johann T. B. H.; Moret, Marc-Etienne; Klein Gebbink, Robertus J. M.","Synthesis of Cyclopentadienyl-Based Trioxo-rhenium Complexes and Their Use as Deoxydehydration Catalysts","Organometallics","2016","35","13","2178","","10.1021/acs.organomet.6b00120","","","0.71073","MoKα","","0.0115","0.011","","","0.0263","0.0264","","","","","","1.09","","","","has coordinates","184940","2020-10-21","18:00:00",""
"4086546","10.9327","0.0004","8.1327","0.0002","13.2961","0.0004","90","","90","","90","","1182.19","0.06","150","2","150","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C12 H17 O3 Re -","- C12 H17 O3 Re -","- C48 H68 O12 Re4 -","4","1","","Raju, Suresh; van Slagmaat, Christian A. M. R.; Li, Jing; Lutz, Martin; Jastrzebski, Johann T. B. H.; Moret, Marc-Etienne; Klein Gebbink, Robertus J. M.","Synthesis of Cyclopentadienyl-Based Trioxo-rhenium Complexes and Their Use as Deoxydehydration Catalysts","Organometallics","2016","35","13","2178","","10.1021/acs.organomet.6b00120","","","0.71073","MoKα","","0.0112","0.0098","","","0.0227","0.023","","","","","","1.065","","","","has coordinates","184940","2020-10-21","18:00:00",""
"4086547","5.9964","0.0003","13.1856","0.0007","12.0268","0.0007","90","","90","","90","","950.91","0.09","150","2","150","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C9 H13 O3 Re -","- C9 H13 O3 Re -","- C36 H52 O12 Re4 -","4","0.5","","Raju, Suresh; van Slagmaat, Christian A. M. R.; Li, Jing; Lutz, Martin; Jastrzebski, Johann T. B. H.; Moret, Marc-Etienne; Klein Gebbink, Robertus J. M.","Synthesis of Cyclopentadienyl-Based Trioxo-rhenium Complexes and Their Use as Deoxydehydration Catalysts","Organometallics","2016","35","13","2178","","10.1021/acs.organomet.6b00120","","","0.71073","MoKα","","0.0251","0.0189","","","0.0416","0.0434","","","","","","1.067","","","","has coordinates","184940","2020-10-21","18:00:00",""
"4086548","7.3391","0.0003","9.4771","0.0003","9.9193","0.0003","102.177","0.0012","103.396","0.0013","105.969","0.0012","616.8","0.04","173","2","173","2","","","","","","","","5","P 1","P 1","1","","","","- C26 H42 B Fe N -","- C26 H42 B Fe N -","- C26 H42 B Fe N -","1","1","","Bhattacharjee, Hridaynath; Martell, Jonathon D.; Khozeimeh Sarbisheh, Elaheh; Sadeh, Saeid; Quail, J. Wilson; Müller, Jens","Insight into the Formation of Highly Strained [1]Ferrocenophanes with Boron in Bridging Position","Organometallics","2016","35","12","2156","","10.1021/acs.organomet.6b00388","","","0.71073","MoKα","","0.0363","0.0312","","","0.0634","0.0656","","","","","","0.999","","","","has coordinates,has disorder","184944","2020-10-21","18:00:00",""
"4086549","17.735","0.011","12.421","0.007","27.719","0.017","90","","106.88","0.016","90","","5843","6","100","2","100","1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C36 H37 N2 P -","- C36 H37 N2 P -","- C288 H296 N16 P8 -","8","2","","Batke, Sonja; Sietzen, Malte; Merz, Lukas; Wadepohl, Hubert; Ballmann, Joachim","Closely Related Benzylene-Linked Diamidophosphine Scaffolds and Their Zirconium and Hafnium Complexes: How Small Changes of the Ligand Result in Different Complex Stabilities and Reactivities","Organometallics","2016","35","13","2294","","10.1021/acs.organomet.6b00384","","x-ray","0.71073","MoKα","","0.0863","0.0492","","","0.1088","0.1262","","","","","","1.005","","","","has coordinates","184939","2020-10-21","18:00:00",""
"4086550","8.975","0.004","11.713","0.005","16.176","0.006","81.466","0.014","89.451","0.006","70.647","0.008","1585.2","1.1","100","2","100","1","","","","","","","","5","P -1","-P 1","2","","","","- C36 H39 N4 P Zr -","- C36 H39 N4 P Zr -","- C72 H78 N8 P2 Zr2 -","2","1","","Batke, Sonja; Sietzen, Malte; Merz, Lukas; Wadepohl, Hubert; Ballmann, Joachim","Closely Related Benzylene-Linked Diamidophosphine Scaffolds and Their Zirconium and Hafnium Complexes: How Small Changes of the Ligand Result in Different Complex Stabilities and Reactivities","Organometallics","2016","35","13","2294","","10.1021/acs.organomet.6b00384","","x-ray","0.71073","MoKα","","0.0273","0.0244","","","0.063","0.0653","","","","","","1.04","","","","has coordinates","184939","2020-10-21","18:00:00",""
"4086551","18.9485","0.0003","13.7692","0.0002","30.4136","0.0005","90","","105.899","0.0017","90","","7631.5","0.2","120","1","120","1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C42.5 H53 N4 P Zr -","- C42.5 H53 N4 P Zr -","- C340 H424 N32 P8 Zr8 -","8","1","","Batke, Sonja; Sietzen, Malte; Merz, Lukas; Wadepohl, Hubert; Ballmann, Joachim","Closely Related Benzylene-Linked Diamidophosphine Scaffolds and Their Zirconium and Hafnium Complexes: How Small Changes of the Ligand Result in Different Complex Stabilities and Reactivities","Organometallics","2016","35","13","2294","","10.1021/acs.organomet.6b00384","","x-ray","0.71073","MoKα","","0.0681","0.0484","","","0.1027","0.1103","","","","","","1.071","","","","has coordinates","184939","2020-10-21","18:00:00",""
"4086552","11.336","0.005","13.39","0.005","14.599","0.005","102.302","0.013","102.584","0.012","110.23","0.01","1926.1","1.3","100","2","100","1","","","","","","","","5","P -1","-P 1","2","","","","- C42.5 H53 Hf N4 P -","- C40 H47 Hf N4 P -","- C80 H94 Hf2 N8 P2 -","2","1","","Batke, Sonja; Sietzen, Malte; Merz, Lukas; Wadepohl, Hubert; Ballmann, Joachim","Closely Related Benzylene-Linked Diamidophosphine Scaffolds and Their Zirconium and Hafnium Complexes: How Small Changes of the Ligand Result in Different Complex Stabilities and Reactivities","Organometallics","2016","35","13","2294","","10.1021/acs.organomet.6b00384","","x-ray","0.71073","MoKα","","0.0259","0.0217","","","0.0484","0.0501","","","","","","1.077","","","","has coordinates","184939","2020-10-21","18:00:00",""
"4086553","9.06","0.005","11.614","0.005","15.921","0.007","81.263","0.016","89.363","0.008","70.231","0.009","1556.8","1.3","100","2","100","1","","","","","","","","5","P -1","-P 1","2","","","","- C36 H39 N4 P Ti -","- C36 H39 N4 P Ti -","- C72 H78 N8 P2 Ti2 -","2","1","","Batke, Sonja; Sietzen, Malte; Merz, Lukas; Wadepohl, Hubert; Ballmann, Joachim","Closely Related Benzylene-Linked Diamidophosphine Scaffolds and Their Zirconium and Hafnium Complexes: How Small Changes of the Ligand Result in Different Complex Stabilities and Reactivities","Organometallics","2016","35","13","2294","","10.1021/acs.organomet.6b00384","","x-ray","0.71073","MoKα","","0.0599","0.0412","","","0.0945","0.1034","","","","","","1.037","","","","has coordinates","184939","2020-10-21","18:00:00",""
"4086554","11.32651","0.00018","13.3144","0.0002","14.6393","0.0003","102.618","0.0016","102.352","0.0015","110.276","0.0015","1917.05","0.07","120","1","120","1","","","","","","","","6","P -1","-P 1","2","","","","- C42 H52 N4 O0.5 P Ti -","- C40 H47 N4 P Ti -","- C80 H94 N8 P2 Ti2 -","2","1","","Batke, Sonja; Sietzen, Malte; Merz, Lukas; Wadepohl, Hubert; Ballmann, Joachim","Closely Related Benzylene-Linked Diamidophosphine Scaffolds and Their Zirconium and Hafnium Complexes: How Small Changes of the Ligand Result in Different Complex Stabilities and Reactivities","Organometallics","2016","35","13","2294","","10.1021/acs.organomet.6b00384","","x-ray","1.54184","CuKα","","0.0311","0.0291","","","0.0784","0.0795","","","","","","1.044","","","","has coordinates","184939","2020-10-21","18:00:00",""
"4086555","11.75732","0.00008","14.5614","0.0001","17.37463","0.00012","90","","102.216","0.0007","90","","2907.23","0.04","120","1","120","1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C32 H27 I2 N2 P Ti -","- C32 H27 I2 N2 P Ti -","- C128 H108 I8 N8 P4 Ti4 -","4","1","","Batke, Sonja; Sietzen, Malte; Merz, Lukas; Wadepohl, Hubert; Ballmann, Joachim","Closely Related Benzylene-Linked Diamidophosphine Scaffolds and Their Zirconium and Hafnium Complexes: How Small Changes of the Ligand Result in Different Complex Stabilities and Reactivities","Organometallics","2016","35","13","2294","","10.1021/acs.organomet.6b00384","","x-ray","0.71073","MoKα","","0.0264","0.0228","","","0.0547","0.056","","","","","","1.096","","","","has coordinates","184939","2020-10-21","18:00:00",""
"4086556","12.83406","0.00011","13.5026","0.00012","22.40089","0.00018","90","","96.3526","0.0008","90","","3858.09","0.06","120","1","120","1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C43 H43 I2 N2 P Ti -","- C43 H43 I2 N2 P Ti -","- C172 H172 I8 N8 P4 Ti4 -","4","1","","Batke, Sonja; Sietzen, Malte; Merz, Lukas; Wadepohl, Hubert; Ballmann, Joachim","Closely Related Benzylene-Linked Diamidophosphine Scaffolds and Their Zirconium and Hafnium Complexes: How Small Changes of the Ligand Result in Different Complex Stabilities and Reactivities","Organometallics","2016","35","13","2294","","10.1021/acs.organomet.6b00384","","x-ray","0.71073","MoKα","","0.0347","0.026","","","0.0508","0.0533","","","","","","1.041","","","","has coordinates","184939","2020-10-21","18:00:00",""
"4086557","16.0851","0.0002","10.29017","0.00012","21.1915","0.0002","90","","96.708","0.0012","90","","3483.57","0.07","120","1","120","1","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C38 H27 D6 I2 N2 P Zr -","- C38 H27 D6 I2 N2 P Zr -","- C152 H108 D24 I8 N8 P4 Zr4 -","4","1","","Batke, Sonja; Sietzen, Malte; Merz, Lukas; Wadepohl, Hubert; Ballmann, Joachim","Closely Related Benzylene-Linked Diamidophosphine Scaffolds and Their Zirconium and Hafnium Complexes: How Small Changes of the Ligand Result in Different Complex Stabilities and Reactivities","Organometallics","2016","35","13","2294","","10.1021/acs.organomet.6b00384","","x-ray","0.71073","MoKα","","0.0532","0.0385","","","0.0668","0.0705","","","","","","1.129","","","","has coordinates","184939","2020-10-21","18:00:00",""
"4086558","16.0977","0.0003","10.43778","0.00018","21.0529","0.0003","90","","92.9851","0.0013","90","","3532.6","0.1","120","1","120","1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C39 H35 I2 N2 P Zr -","- C39 H35 I2 N2 P Zr -","- C156 H140 I8 N8 P4 Zr4 -","4","1","","Batke, Sonja; Sietzen, Malte; Merz, Lukas; Wadepohl, Hubert; Ballmann, Joachim","Closely Related Benzylene-Linked Diamidophosphine Scaffolds and Their Zirconium and Hafnium Complexes: How Small Changes of the Ligand Result in Different Complex Stabilities and Reactivities","Organometallics","2016","35","13","2294","","10.1021/acs.organomet.6b00384","","x-ray","0.71073","MoKα","","0.0503","0.0359","","","0.0662","0.0723","","","","","","1.055","","","","has coordinates","184939","2020-10-21","18:00:00",""
"4086559","21.784","0.011","11.603","0.005","27.779","0.013","90","","90.962","0.007","90","","7020","6","100","2","100","1","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C36 H35 I2 N2 P Zr -","- C36 H35 I2 N2 P Zr -","- C288 H280 I16 N16 P8 Zr8 -","8","1","","Batke, Sonja; Sietzen, Malte; Merz, Lukas; Wadepohl, Hubert; Ballmann, Joachim","Closely Related Benzylene-Linked Diamidophosphine Scaffolds and Their Zirconium and Hafnium Complexes: How Small Changes of the Ligand Result in Different Complex Stabilities and Reactivities","Organometallics","2016","35","13","2294","","10.1021/acs.organomet.6b00384","","x-ray","0.71073","MoKα","","0.0417","0.03","","","0.0624","0.0671","","","","","","1.05","","","","has coordinates","184939","2020-10-21","18:00:00",""
"4086560","11.15467","0.00011","19.96395","0.00019","14.664","0.00015","90","","102.044","0.001","90","","3193.67","0.06","120","1","120","1","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C26 H35 I2 N2 P Si2 Zr -","- C26 H35 I2 N2 P Si2 Zr -","- C104 H140 I8 N8 P4 Si8 Zr4 -","4","1","","Batke, Sonja; Sietzen, Malte; Merz, Lukas; Wadepohl, Hubert; Ballmann, Joachim","Closely Related Benzylene-Linked Diamidophosphine Scaffolds and Their Zirconium and Hafnium Complexes: How Small Changes of the Ligand Result in Different Complex Stabilities and Reactivities","Organometallics","2016","35","13","2294","","10.1021/acs.organomet.6b00384","","x-ray","0.71073","MoKα","","0.0384","0.0329","","","0.0625","0.0642","","","","","","1.211","","","","has coordinates","184939","2020-10-21","18:00:00",""
"4086561","22.0703","0.0002","11.52011","0.00009","29.7547","0.0002","90","","99.6396","0.0009","90","","7458.38","0.1","120","1","120","1","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C38 H40 Hf I2 N2 O0.5 P -","- C36 H35 Hf I2 N2 P -","- C288 H280 Hf8 I16 N16 P8 -","8","1","","Batke, Sonja; Sietzen, Malte; Merz, Lukas; Wadepohl, Hubert; Ballmann, Joachim","Closely Related Benzylene-Linked Diamidophosphine Scaffolds and Their Zirconium and Hafnium Complexes: How Small Changes of the Ligand Result in Different Complex Stabilities and Reactivities","Organometallics","2016","35","13","2294","","10.1021/acs.organomet.6b00384","","x-ray","1.54184","CuKα","","0.0454","0.0446","","","0.1093","0.1101","","","","","","1.293","","","","has coordinates","184939","2020-10-21","18:00:00",""
"4086562","10.385","0.0002","10.8151","0.0003","18.4097","0.0005","73.997","0.002","89.058","0.0018","74.023","0.002","1906.82","0.09","120","1","120","1","","","","","","","","6","P -1","-P 1","2","","","","- C40 H49 N2 P Si2 Zr -","- C40 H49 N2 P Si2 Zr -","- C80 H98 N4 P2 Si4 Zr2 -","2","1","","Batke, Sonja; Sietzen, Malte; Merz, Lukas; Wadepohl, Hubert; Ballmann, Joachim","Closely Related Benzylene-Linked Diamidophosphine Scaffolds and Their Zirconium and Hafnium Complexes: How Small Changes of the Ligand Result in Different Complex Stabilities and Reactivities","Organometallics","2016","35","13","2294","","10.1021/acs.organomet.6b00384","","x-ray","1.54184","CuKα","","0.0456","0.0326","","","0.07","0.0749","","","","","","1.022","","","","has coordinates","184939","2020-10-21","18:00:00",""
"4086563","10.4057","0.0003","10.8811","0.0004","18.4072","0.0005","74.352","0.003","89.204","0.003","73.94","0.003","1924.44","0.11","120","1","120","1","","","","","","","","6","P -1","-P 1","2","","","","- C40 H49 Hf N2 P Si2 -","- C40 H49 Hf N2 P Si2 -","- C80 H98 Hf2 N4 P2 Si4 -","2","1","","Batke, Sonja; Sietzen, Malte; Merz, Lukas; Wadepohl, Hubert; Ballmann, Joachim","Closely Related Benzylene-Linked Diamidophosphine Scaffolds and Their Zirconium and Hafnium Complexes: How Small Changes of the Ligand Result in Different Complex Stabilities and Reactivities","Organometallics","2016","35","13","2294","","10.1021/acs.organomet.6b00384","","x-ray","0.71073","MoKα","","0.0275","0.0256","","","0.0612","0.0624","","","","","","1.069","","","","has coordinates","184939","2020-10-21","18:00:00",""
"4086564","14.1757","0.0002","16.0067","0.0003","20.6655","0.0005","69.808","0.002","84.7664","0.0016","85.5702","0.0015","4377.34","0.16","120","1","120","1","","","","","","","","7","P -1","-P 1","2","","","","- C44 H59 Hf N2 O P Si2 -","- C44 H59 Hf N2 O P Si2 -","- C176 H236 Hf4 N8 O4 P4 Si8 -","4","2","","Batke, Sonja; Sietzen, Malte; Merz, Lukas; Wadepohl, Hubert; Ballmann, Joachim","Closely Related Benzylene-Linked Diamidophosphine Scaffolds and Their Zirconium and Hafnium Complexes: How Small Changes of the Ligand Result in Different Complex Stabilities and Reactivities","Organometallics","2016","35","13","2294","","10.1021/acs.organomet.6b00384","","x-ray","0.71073","MoKα","","0.0542","0.0345","","","0.0666","0.0686","","","","","","0.92","","","","has coordinates","184939","2020-10-21","18:00:00",""
"4086565","10.25124","0.00015","39.7877","0.0005","10.27791","0.00015","90","","117.901","0.0019","90","","3704.8","0.11","120","1","120","1","","","","","","","","6","P 1 21/c 1","-P 2yn","14","","","","- C40 H49 Hf N2 P Si2 -","- C40 H49 Hf N2 P Si2 -","- C160 H196 Hf4 N8 P4 Si8 -","4","1","","Batke, Sonja; Sietzen, Malte; Merz, Lukas; Wadepohl, Hubert; Ballmann, Joachim","Closely Related Benzylene-Linked Diamidophosphine Scaffolds and Their Zirconium and Hafnium Complexes: How Small Changes of the Ligand Result in Different Complex Stabilities and Reactivities","Organometallics","2016","35","13","2294","","10.1021/acs.organomet.6b00384","","x-ray","1.54184","CuKα","","0.0265","0.0258","","","0.0487","0.0489","","","","","","1.315","","","","has coordinates","184939","2020-10-21","18:00:00",""
"4086566","10.23","0.0003","13.3848","0.0003","16.6135","0.0003","67.695","0.002","86.916","0.002","86.495","0.002","2099.53","0.09","120","1","120","1","","","","","","","","5","P -1","-P 1","2","","","","- C53 H49 N2 P Zr -","- C46 H41 N2 P Zr -","- C92 H82 N4 P2 Zr2 -","2","1","","Batke, Sonja; Sietzen, Malte; Merz, Lukas; Wadepohl, Hubert; Ballmann, Joachim","Closely Related Benzylene-Linked Diamidophosphine Scaffolds and Their Zirconium and Hafnium Complexes: How Small Changes of the Ligand Result in Different Complex Stabilities and Reactivities","Organometallics","2016","35","13","2294","","10.1021/acs.organomet.6b00384","","x-ray","0.71073","MoKα","","0.0603","0.0419","","","0.0942","0.1027","","","","","","1.028","","","","has coordinates,has disorder","184939","2020-10-21","18:00:00",""
"4086567","9.6903","0.00019","13.2661","0.0003","15.1478","0.0004","100.832","0.002","92.9449","0.0019","101.485","0.0017","1866.3","0.08","120","1","120","1","","","","","","","","5","P -1","-P 1","2","","","","- C46 H41 Hf N2 P -","- C46 H41 Hf N2 P -","- C92 H82 Hf2 N4 P2 -","2","1","","Batke, Sonja; Sietzen, Malte; Merz, Lukas; Wadepohl, Hubert; Ballmann, Joachim","Closely Related Benzylene-Linked Diamidophosphine Scaffolds and Their Zirconium and Hafnium Complexes: How Small Changes of the Ligand Result in Different Complex Stabilities and Reactivities","Organometallics","2016","35","13","2294","","10.1021/acs.organomet.6b00384","","x-ray","0.71073","MoKα","","0.0386","0.0324","","","0.0843","0.0868","","","","","","1.117","","","","has coordinates","184939","2020-10-21","18:00:00",""
"4086568","24.105","0.013","17.206","0.009","22.372","0.011","90","","99.948","0.008","90","","9139","8","100","2","100","1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C50 H49 Hf N2 P -","- C50 H49 Hf N2 P -","- C400 H392 Hf8 N16 P8 -","8","1","","Batke, Sonja; Sietzen, Malte; Merz, Lukas; Wadepohl, Hubert; Ballmann, Joachim","Closely Related Benzylene-Linked Diamidophosphine Scaffolds and Their Zirconium and Hafnium Complexes: How Small Changes of the Ligand Result in Different Complex Stabilities and Reactivities","Organometallics","2016","35","13","2294","","10.1021/acs.organomet.6b00384","","x-ray","0.71073","MoKα","","0.0658","0.041","","","0.08","0.0883","","","","","","1.016","","","","has coordinates,has disorder","184939","2020-10-21","18:00:00",""
"4086569","20.2073","0.0007","14.3395","0.0004","23.1834","0.0007","90","","107.08","0.004","90","","6421.4","0.4","120","1","120","1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C77 H82 N4 P2 Zr -","- C77 H82 N4 P2 Zr -","- C308 H328 N16 P8 Zr4 -","4","1","","Batke, Sonja; Sietzen, Malte; Merz, Lukas; Wadepohl, Hubert; Ballmann, Joachim","Closely Related Benzylene-Linked Diamidophosphine Scaffolds and Their Zirconium and Hafnium Complexes: How Small Changes of the Ligand Result in Different Complex Stabilities and Reactivities","Organometallics","2016","35","13","2294","","10.1021/acs.organomet.6b00384","","x-ray","0.71073","MoKα","","0.0965","0.0881","","","0.1477","0.1512","","","","","","1.295","","","","has coordinates","184939","2020-10-21","18:00:00",""
"4086570","15.3382","0.0003","13.36","0.0003","25.6716","0.0005","90","","104.95","0.002","90","","5082.52","0.19","120","1","120","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C64 H59 N4 P Zr -","- C64 H59 N4 P Zr -","- C256 H236 N16 P4 Zr4 -","4","1","","Batke, Sonja; Sietzen, Malte; Merz, Lukas; Wadepohl, Hubert; Ballmann, Joachim","Closely Related Benzylene-Linked Diamidophosphine Scaffolds and Their Zirconium and Hafnium Complexes: How Small Changes of the Ligand Result in Different Complex Stabilities and Reactivities","Organometallics","2016","35","13","2294","","10.1021/acs.organomet.6b00384","","x-ray","0.71073","MoKα","","0.0877","0.0673","","","0.1371","0.1449","","","","","","1.177","","","","has coordinates","184939","2020-10-21","18:00:00",""
"4086571","11.21305","0.00009","17.74642","0.00013","22.97468","0.00019","98.1474","0.0006","91.2024","0.0007","98.6327","0.0006","4470.18","0.06","120","1","120","1","","","","","","","","6","P -1","-P 1","2","","","","- C49 H58 Hf N3 P Si2 -","- C49 H58 Hf N3 P Si2 -","- C196 H232 Hf4 N12 P4 Si8 -","4","2","","Batke, Sonja; Sietzen, Malte; Merz, Lukas; Wadepohl, Hubert; Ballmann, Joachim","Closely Related Benzylene-Linked Diamidophosphine Scaffolds and Their Zirconium and Hafnium Complexes: How Small Changes of the Ligand Result in Different Complex Stabilities and Reactivities","Organometallics","2016","35","13","2294","","10.1021/acs.organomet.6b00384","","x-ray","1.54184","CuKα","","0.0267","0.0261","","","0.0565","0.0568","","","","","","1.137","","","","has coordinates","184939","2020-10-21","18:00:00",""
"4086572","11.84756","0.00013","12.4209","0.0002","20.4206","0.0003","107.35","0.0015","93.0867","0.0011","95.0282","0.0011","2847.14","0.07","120","1","120","1","","","","","","","","6","P -1","-P 1","2","","","","- C70 H72 Hf N4 O0.5 P -","- C70 H72 Hf N4 O0.5 P -","- C140 H144 Hf2 N8 O P2 -","2","1","","Batke, Sonja; Sietzen, Malte; Merz, Lukas; Wadepohl, Hubert; Ballmann, Joachim","Closely Related Benzylene-Linked Diamidophosphine Scaffolds and Their Zirconium and Hafnium Complexes: How Small Changes of the Ligand Result in Different Complex Stabilities and Reactivities","Organometallics","2016","35","13","2294","","10.1021/acs.organomet.6b00384","","x-ray","0.71073","MoKα","","0.0319","0.028","","","0.0575","0.0589","","","","","","1.086","","","","has coordinates,has disorder","184939","2020-10-21","18:00:00",""
"4086573","13.2679","0.0009","22.586","0.0014","14.726","0.0009","90","","103.791","0.001","90","","4285.7","0.5","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C18 H36 Mn N O2 P2 -","- C18 H36 Mn N O2 P2 -","- C144 H288 Mn8 N8 O16 P16 -","8","2","","Tondreau, Aaron M.; Boncella, James M.","1,2-Addition of Formic or Oxalic Acid to‒N{CH2CH2(PiPr2)}2-Supported Mn(I) Dicarbonyl Complexes and the Manganese-Mediated Decomposition of Formic Acid","Organometallics","2016","35","12","2049","","10.1021/acs.organomet.6b00274","","","0.71073","MoKα","","0.0472","0.0319","","","0.0826","0.0959","","","","","","1.09","","","","has coordinates","184069","2020-10-21","18:00:00",""
"4086574","15.9603","0.0016","14.1486","0.0014","22.102","0.002","90","","92.575","0.002","90","","4985.9","0.8","109","2","109","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C42 H82 Mn2 N2 O9 P4 -","- C42 H82 Mn2 N2 O9 P4 -","- C168 H328 Mn8 N8 O36 P16 -","4","1","","Tondreau, Aaron M.; Boncella, James M.","1,2-Addition of Formic or Oxalic Acid to‒N{CH2CH2(PiPr2)}2-Supported Mn(I) Dicarbonyl Complexes and the Manganese-Mediated Decomposition of Formic Acid","Organometallics","2016","35","12","2049","","10.1021/acs.organomet.6b00274","","","0.71073","MoKα","","0.0621","0.0443","","","0.0975","0.1062","","","","","","1.133","","","","has coordinates","184069","2020-10-21","18:00:00",""
"4086575","8.684","0.002","12.907","0.003","21.333","0.005","90","","93.094","0.005","90","","2387.6","1","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C19 H38 Mn N O4 P2 -","- C19 H38 Mn N O4 P2 -","- C76 H152 Mn4 N4 O16 P8 -","4","1","","Tondreau, Aaron M.; Boncella, James M.","1,2-Addition of Formic or Oxalic Acid to‒N{CH2CH2(PiPr2)}2-Supported Mn(I) Dicarbonyl Complexes and the Manganese-Mediated Decomposition of Formic Acid","Organometallics","2016","35","12","2049","","10.1021/acs.organomet.6b00274","","","0.71073","MoKα","","0.045","0.0346","","","0.0922","0.1057","","","","","","1.163","","","","has coordinates","184069","2020-10-21","18:00:00",""
"4086576","17.076","0.0017","15.3659","0.0016","13.126","0.0013","90","","102.031","0.001","90","","3368.5","0.6","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C17 H18 Au N S2 -","- C17 H18 Au N S2 -","- C136 H144 Au8 N8 S16 -","8","2","","Nilakantan, Lakshmi; McMillin, David R.; Sharp, Paul R.","Emissive Biphenyl Cyclometalated Gold(III) Diethyl Dithiocarbamate Complexes","Organometallics","2016","35","14","2339","","10.1021/acs.organomet.6b00275","","","0.71073","MoKα","","0.0246","0.0185","","","0.0378","0.0396","","","","","","1.021","","","","has coordinates","184946","2020-10-21","18:00:00",""
"4086577","9.6573","0.0007","14.9056","0.0011","13.0267","0.001","90","","90","","90","","1875.2","0.2","100","2","100","2","","","","","","","","6","P n n a","-P 2a 2bc","52","","","","- C19 H22 Au N O2 S2 -","- C19 H22 Au N O2 S2 -","- C76 H88 Au4 N4 O8 S8 -","4","0.5","","Nilakantan, Lakshmi; McMillin, David R.; Sharp, Paul R.","Emissive Biphenyl Cyclometalated Gold(III) Diethyl Dithiocarbamate Complexes","Organometallics","2016","35","14","2339","","10.1021/acs.organomet.6b00275","","","0.71073","MoKα","","0.0177","0.0139","","","0.0321","0.0333","","","","","","1.053","","","","has coordinates","184946","2020-10-21","18:00:00",""
"4086578","11.4137","0.0003","24.4813","0.0008","21.2074","0.0007","90","","90.273","0.002","90","","5925.8","0.3","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C19 H16 Au F6 N S2 -","- C19 H16 Au F6 N S2 -","- C228 H192 Au12 F72 N12 S24 -","12","1.5","","Nilakantan, Lakshmi; McMillin, David R.; Sharp, Paul R.","Emissive Biphenyl Cyclometalated Gold(III) Diethyl Dithiocarbamate Complexes","Organometallics","2016","35","14","2339","","10.1021/acs.organomet.6b00275","","","0.71073","MoKα","","0.046","0.0293","","","0.0533","0.0582","","","","","","0.995","","","","has coordinates","184946","2020-10-21","18:00:00",""
"4086579","11.8127","0.0001","14.3695","0.0002","23.02","0.0003","96.047","0.001","103.928","0.001","103.94","0.001","3625.14","0.08","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C88 H82 Fe2 P4 S2 -","- C88 H82 Fe2 P4 S2 -","- C176 H164 Fe4 P8 S4 -","2","1","","Roué, Séverine; Sahnoune, Hiba; Toupet, Loïc; Halet, Jean-François; Lapinte, Claude","Double Insertion of Thiophene Rings in Polyynediyl Chains to Stabilize Nanoscaled Molecular Wires with [Cp*(dppe)Fe] Termini","Organometallics","2016","35","12","2057","","10.1021/acs.organomet.6b00209","","","0.71069","MoKα","","0.0573","0.043","","","0.1114","0.1254","","","","","","0.996","","","","has coordinates","184279","2020-10-21","18:00:00",""
"4086580","17.6236","0.0015","20.241","0.0017","24.665","0.002","90","","90","","90","","8798.5","1.3","100","1","100","1","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C51 H60 Be N2 P2 -","- C51 H60 Be N2 P2 -","- C408 H480 Be8 N16 P16 -","8","1","","Bayram, Melike; Naglav, Dominik; Wölper, Christoph; Schulz, Stephan","Synthesis and Structure of Bis(diphenylphosphinimino)methanide and Bis(diphenylphosphinimino)methanediide Beryllium Complexes","Organometallics","2016","35","14","2378","","10.1021/acs.organomet.6b00380","","","0.71073","MoKα","","0.0776","0.0527","","","0.1399","0.15","","","","","","1.085","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4086581","19.0777","0.0016","17.7914","0.0014","20.5506","0.0017","90","","90","","90","","6975.3","1","100","1","100","1","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C41 H40 Be2 N2 P2 -","- C41 H40 Be2 N2 P2 -","- C328 H320 Be16 N16 P16 -","8","1","","Bayram, Melike; Naglav, Dominik; Wölper, Christoph; Schulz, Stephan","Synthesis and Structure of Bis(diphenylphosphinimino)methanide and Bis(diphenylphosphinimino)methanediide Beryllium Complexes","Organometallics","2016","35","14","2378","","10.1021/acs.organomet.6b00380","","","0.71073","MoKα","","0.121","0.0476","","","0.0976","0.1286","","","","","","1.021","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4086582","11.483","0.0008","17.7068","0.0013","18.3945","0.0015","90.411","0.004","91.935","0.004","90.137","0.004","3737.9","0.5","100","1","100","1","","","","","","","","6","P -1","-P 1","2","","","","- C35 H48 Be2 N2 P2 Si2 -","- C35 H48 Be2 N2 P2 Si2 -","- C140 H192 Be8 N8 P8 Si8 -","4","2","","Bayram, Melike; Naglav, Dominik; Wölper, Christoph; Schulz, Stephan","Synthesis and Structure of Bis(diphenylphosphinimino)methanide and Bis(diphenylphosphinimino)methanediide Beryllium Complexes","Organometallics","2016","35","14","2378","","10.1021/acs.organomet.6b00380","","","0.71073","MoKα","","0.0709","0.0603","","","0.1528","0.1629","","","","","","1.066","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4086583","13.5848","0.0005","24.352","0.0008","23.4755","0.0008","90","","93.536","0.002","90","","7751.3","0.5","100","","100","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C75 H102 P4 -","- C75 H102 P4 -","- C300 H408 P16 -","4","1","","Miura-Akagi, Preston M.; Nakashige, Mika L.; Maile, Caitlin K.; Oshiro, Shelly M.; Gurr, Joshua R.; Yoshida, Wesley Y.; Royappa, A. Timothy; Krause, Colleen E.; Rheingold, Arnold L.; Hughes, Russell P.; Cain, Matthew F.","Synthesis of a Tris(phosphaalkene)phosphine Ligand and Fundamental Organometallic Reactions on Its Sterically Shielded Metal Complexes","Organometallics","2016","35","13","2224","","10.1021/acs.organomet.6b00250","","","1.54178","CuKα","","0.0609","0.055","","","0.148","0.1526","","","","","","1.029","","","","has coordinates,has disorder","184359","2020-10-21","18:00:00",""
"4086584","18.6016","0.0007","18.6016","0.0007","14.2012","0.0006","90","","90","","120","","4255.6","0.3","100","","100","","","","","","","","","5","P -3","-P 3","147","","","","- C76 H100 Cl4 Ir P4 -","- C76 H100 Cl4 Ir P4 -","- C152 H200 Cl8 Ir2 P8 -","2","0.333333","","Miura-Akagi, Preston M.; Nakashige, Mika L.; Maile, Caitlin K.; Oshiro, Shelly M.; Gurr, Joshua R.; Yoshida, Wesley Y.; Royappa, A. Timothy; Krause, Colleen E.; Rheingold, Arnold L.; Hughes, Russell P.; Cain, Matthew F.","Synthesis of a Tris(phosphaalkene)phosphine Ligand and Fundamental Organometallic Reactions on Its Sterically Shielded Metal Complexes","Organometallics","2016","35","13","2224","","10.1021/acs.organomet.6b00250","","","0.71073","MoKα","","0.0437","0.0327","","","0.0799","0.0847","","","","","","1.028","","","","has coordinates,has disorder","184361","2020-10-21","18:00:00",""
"4086585","31.949","0.003","31.949","0.003","42.298","0.004","90","","90","","120","","37391","6","100","","100","","","","","","","","","5","R -3","-R 3","148","","","","- C76 H103 Cl4 P4 Rh -","- C76 H103 Cl4 P4 Rh -","- C1368 H1854 Cl72 P72 Rh18 -","18","","","Miura-Akagi, Preston M.; Nakashige, Mika L.; Maile, Caitlin K.; Oshiro, Shelly M.; Gurr, Joshua R.; Yoshida, Wesley Y.; Royappa, A. Timothy; Krause, Colleen E.; Rheingold, Arnold L.; Hughes, Russell P.; Cain, Matthew F.","Synthesis of a Tris(phosphaalkene)phosphine Ligand and Fundamental Organometallic Reactions on Its Sterically Shielded Metal Complexes","Organometallics","2016","35","13","2224","","10.1021/acs.organomet.6b00250","","","0.71073","MoKα","","0.0944","0.0544","","","0.1206","0.1414","","","","","","0.914","","","","has coordinates,has disorder","184362","2020-10-21","18:00:00",""
"4086586","12.2295","0.0005","12.8837","0.0005","13.0374","0.0006","66.331","0.002","78.549","0.003","77.752","0.003","1823.76","0.14","200","","200","","","","","","","","Research School of Chemistry","7","P -1","-P 1","2","","","","- C38 H38 B N6 O2 P W -","- C38 H38 B N6 O2 P W -","- C76 H76 B2 N12 O4 P2 W2 -","2","1","","Colebatch, Annie L.; Hill, Anthony F.","Chlorophosphino Carbyne Complexes of Tungsten","Organometallics","2016","35","13","2249","","10.1021/acs.organomet.6b00314","","","0.71073","MoKα","","0.058","0.0406","","0.0821","0.0715","0.0821","","","","","","0.9334","","","","has coordinates","184365","2020-10-21","18:00:00",""
"4086587","17.04","0.004","17.408","0.005","7.608","0.002","90","","111.41","0.007","90","","2101","1","123","","123","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C28 H18 O2 Si -","- C28 H18 O2 Si -","- C112 H72 O8 Si4 -","4","0.5","","Zhang, Fei-Bao; Adachi, Yohei; Ooyama, Yousuke; Ohshita, Joji","Synthesis and Properties of Benzofuran-Fused Silole and Germole Derivatives: Reversible Dimerization and Crystal Structures of Monomers and Dimers","Organometallics","2016","35","14","2327","","10.1021/acs.organomet.6b00222","","","0.71075","MoKα","","0.1602","0.1039","","","0.2758","0.3001","","","","","","1.608","","","","has coordinates","184945","2020-10-21","18:00:00",""
"4086588","9.7837","0.0015","10.8094","0.0016","10.8576","0.0016","98.3","0.002","106.103","0.002","99.866","0.002","1064.3","0.3","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C56 H36 Ge2 O4 -","- C56 H36 Ge2 O4 -","- C56 H36 Ge2 O4 -","1","0.5","","Zhang, Fei-Bao; Adachi, Yohei; Ooyama, Yousuke; Ohshita, Joji","Synthesis and Properties of Benzofuran-Fused Silole and Germole Derivatives: Reversible Dimerization and Crystal Structures of Monomers and Dimers","Organometallics","2016","35","14","2327","","10.1021/acs.organomet.6b00222","","","0.71073","MoKa","","0.0231","0.0221","","","0.056","0.0568","","","","","","1.028","","","","has coordinates","184945","2020-10-21","18:00:00",""
"4086589","9.838","0.003","10.725","0.003","10.786","0.003","97.131","0.007","106.276","0.007","99.722","0.007","1058.9","0.5","123","","123","","","","","","","","","4","P -1","-P 1","2","","","","- C56 H36 O4 Si2 -","- C56 H36 O4 Si2 -","- C56 H36 O4 Si2 -","1","0.5","","Zhang, Fei-Bao; Adachi, Yohei; Ooyama, Yousuke; Ohshita, Joji","Synthesis and Properties of Benzofuran-Fused Silole and Germole Derivatives: Reversible Dimerization and Crystal Structures of Monomers and Dimers","Organometallics","2016","35","14","2327","","10.1021/acs.organomet.6b00222","","","0.71075","MoKα","","0.1261","0.071","","","0.1537","0.1974","","","","","","0.662","","","","has coordinates","184945","2020-10-21","18:00:00",""
"4086590","17.1582","0.0016","17.7723","0.0014","7.45","0.0009","90","","110.545","0.004","90","","2127.3","0.4","123","2","123","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C28 H18 Ge O2 -","- C28 H18 Ge O2 -","- C112 H72 Ge4 O8 -","4","0.5","","Zhang, Fei-Bao; Adachi, Yohei; Ooyama, Yousuke; Ohshita, Joji","Synthesis and Properties of Benzofuran-Fused Silole and Germole Derivatives: Reversible Dimerization and Crystal Structures of Monomers and Dimers","Organometallics","2016","35","14","2327","","10.1021/acs.organomet.6b00222","","","0.71075","MoKα","","0.0385","0.0255","","","0.0589","0.0772","","","","","","1.199","","","","has coordinates","184945","2020-10-21","18:00:00",""
"4086591","8.4651","0.0005","11.4271","0.0006","12.8696","0.0007","68.237","0.002","71.193","0.002","87.701","0.002","1089.96","0.11","120","","120","","","","","","","","","8","P -1","-P 1","2","","","","- C38 H40 Au2 F6 N4 O6 P2 S2 -","- C38 H40 Au2 F6 N4 O6 P2 S2 -","- C38 H40 Au2 F6 N4 O6 P2 S2 -","1","0.5","","Reiner, Benjamin R.; Bezpalko, Mark W.; Foxman, Bruce M.; Wade, Casey R.","Lewis Acid Catalysis with Cationic Dinuclear Gold(II,II) and Gold(III,III) Phosphorus Ylide Complexes","Organometallics","2016","35","17","2830","","10.1021/acs.organomet.6b00403","","","0.71073","MoKα","","0.0171","0.0168","","0.0414","0.0412","0.0414","","","","","","1.0246","","","","has coordinates,has disorder","186961","2020-10-21","18:00:00",""
"4086592","14.562","0.003","18.699","0.004","19.343","0.004","115.35","0.007","104.86","0.007","103.39","0.007","4234.7","1.6","120","","120","","","","","","","","","8","P -1","-P 1","2","","","","- C35 H36 Au2 F6 N2 O6 P2 S2 -","- C35 H36 Au2 F6 N2 O6 P2 S2 -","- C140 H144 Au8 F24 N8 O24 P8 S8 -","4","2","","Reiner, Benjamin R.; Bezpalko, Mark W.; Foxman, Bruce M.; Wade, Casey R.","Lewis Acid Catalysis with Cationic Dinuclear Gold(II,II) and Gold(III,III) Phosphorus Ylide Complexes","Organometallics","2016","35","17","2830","","10.1021/acs.organomet.6b00403","","","0.71073","MoKα","","0.1244","0.0825","","0.2362","0.2078","0.2362","","","","","","0.9818","","","","has coordinates","186961","2020-10-21","18:00:00",""
"4086593","11.1015","0.001","11.8717","0.0011","16.5406","0.0014","82.01","0.002","77.176","0.002","84.527","0.002","2100.2","0.3","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C52 H43 Co N4 O -","- C52 H43 Co N4 O -","- C104 H86 Co2 N8 O2 -","2","1","","Lee, Siu Yin; Fung, Hong Sang; Feng, Shiyu; Chan, Kin Shing","Visible Light Photocatalysis of Carbon‒Carbon σ-Bond Anaerobic Oxidation of Ketones with Water by Cobalt(II) Porphyrins","Organometallics","2016","35","15","2480","","10.1021/acs.organomet.6b00352","","","0.71073","MoKα","","0.0756","0.0436","","","0.1075","0.131","","","","","","1.052","","","","has coordinates","186258","2020-10-21","18:00:00",""
"4086594","11.1135","0.0015","12.9262","0.0018","16.206","0.002","73.844","0.002","81.948","0.002","74.511","0.002","2149.5","0.5","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C52 H43 Co N4 O5 -","- C52 H43 Co N4 O5 -","- C104 H86 Co2 N8 O10 -","2","1","","Lee, Siu Yin; Fung, Hong Sang; Feng, Shiyu; Chan, Kin Shing","Visible Light Photocatalysis of Carbon‒Carbon σ-Bond Anaerobic Oxidation of Ketones with Water by Cobalt(II) Porphyrins","Organometallics","2016","35","15","2480","","10.1021/acs.organomet.6b00352","","","0.71073","MoKα","","0.0653","0.0425","","","0.1073","0.1237","","","","","","1.022","","","","has coordinates","186258","2020-10-21","18:00:00",""
"4086595","13.419","0.002","13.549","0.002","16.161","0.002","86.518","0.003","68.511","0.003","60.584","0.003","2355.7","0.6","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C48 H31 Cl4 Co N4 O -","- C48 H24 Cl4 Co N4 O -","- C96 H48 Cl8 Co2 N8 O2 -","2","1","","Lee, Siu Yin; Fung, Hong Sang; Feng, Shiyu; Chan, Kin Shing","Visible Light Photocatalysis of Carbon‒Carbon σ-Bond Anaerobic Oxidation of Ketones with Water by Cobalt(II) Porphyrins","Organometallics","2016","35","15","2480","","10.1021/acs.organomet.6b00352","","","0.71073","MoKα","","0.0848","0.0619","","","0.1621","0.1795","","","","","","0.968","","","","has coordinates,has disorder","186258","2020-10-21","18:00:00",""
"4086596","21.954","0.002","25.303","0.002","17.5417","0.0017","90","","90","","90","","9744.5","1.5","173","2","173","2","","","","","","","","5","C 2 2 21","C 2c 2","20","","","","- C55 H47 Co N4 O2 -","- C55 H47 Co N4 O2 -","- C440 H376 Co8 N32 O16 -","8","1","","Lee, Siu Yin; Fung, Hong Sang; Feng, Shiyu; Chan, Kin Shing","Visible Light Photocatalysis of Carbon‒Carbon σ-Bond Anaerobic Oxidation of Ketones with Water by Cobalt(II) Porphyrins","Organometallics","2016","35","15","2480","","10.1021/acs.organomet.6b00352","","","0.71073","MoKα","","0.1237","0.0837","","","0.2269","0.2614","","","","","","1.052","","","","has coordinates","186258","2020-10-21","18:00:00",""
"4086597","8.4","0.0002","17.3732","0.0004","21.3704","0.0004","84.852","0.002","87.66","0.002","76.24","0.002","3016.35","0.12","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C29 H36 Mo2 N2 O8 -","- C29 H36 Mo2 N2 O8 -","- C116 H144 Mo8 N8 O32 -","4","2","","Robinson, Thomas P.; Johnson, Andrew L.; Raithby, Paul R.; Kociok-Kohn, Gabriele","N-Heterocyclic Carbene Adducts of Molybdenum Tetracarboxylate Complexes","Organometallics","2016","35","15","2494","","10.1021/acs.organomet.6b00386","","","0.71073","MoKα","","0.0746","0.0421","","","0.0711","0.0823","","","","","","1.038","","","","has coordinates","186257","2020-10-21","18:00:00",""
"4086598","8.505","0.0002","17.11","0.0003","24.466","0.0003","90","","95.579","0.001","90","","3543.44","0.11","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C29 H24 F12 Mo2 N2 O8 -","- C29 H24 F12 Mo2 N2 O8 -","- C116 H96 F48 Mo8 N8 O32 -","4","1","","Robinson, Thomas P.; Johnson, Andrew L.; Raithby, Paul R.; Kociok-Kohn, Gabriele","N-Heterocyclic Carbene Adducts of Molybdenum Tetracarboxylate Complexes","Organometallics","2016","35","15","2494","","10.1021/acs.organomet.6b00386","","","0.71073","MoKα","","0.0561","0.0347","","","0.0684","0.0754","","","","","","1.042","","","","has coordinates","186257","2020-10-21","18:00:00",""
"4086599","11.2778","0.0002","27.5134","0.0006","15.7145","0.0004","90","","97.019","0.002","90","","4839.52","0.18","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C44.5 H64 Mo2 N2 O8 -","- C44.5 H64 Mo2 N2 O8 -","- C178 H256 Mo8 N8 O32 -","4","1","","Robinson, Thomas P.; Johnson, Andrew L.; Raithby, Paul R.; Kociok-Kohn, Gabriele","N-Heterocyclic Carbene Adducts of Molybdenum Tetracarboxylate Complexes","Organometallics","2016","35","15","2494","","10.1021/acs.organomet.6b00386","","","0.71073","MoKα","","0.0392","0.0323","","","0.0812","0.0855","","","","","","1.051","","","","has coordinates,has disorder","186257","2020-10-21","18:00:00",""
"4086600","16.6127","0.0001","19.3204","0.0002","45.9155","0.0005","90","","90","","90","","14737.2","0.2","150","2","150","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C70 H82 F12 Mo2 N4 O8 -","- C70 H82 F12 Mo2 N4 O8 -","- C560 H656 F96 Mo16 N32 O64 -","8","2","","Robinson, Thomas P.; Johnson, Andrew L.; Raithby, Paul R.; Kociok-Kohn, Gabriele","N-Heterocyclic Carbene Adducts of Molybdenum Tetracarboxylate Complexes","Organometallics","2016","35","15","2494","","10.1021/acs.organomet.6b00386","","","0.71073","MoKα","","0.1138","0.0706","","","0.1079","0.1177","","","","","","1.089","","","","has coordinates","186257","2020-10-21","18:00:00",""
"4086601","11.3739","0.0006","12.0093","0.0007","13.5043","0.0008","90.405","0.005","106.754","0.005","91.534","0.004","1765.44","0.18","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C26 H32 F12 Mo2 N4 O8 -","- C26 H32 F12 Mo2 N4 O8 -","- C52 H64 F24 Mo4 N8 O16 -","2","1","","Robinson, Thomas P.; Johnson, Andrew L.; Raithby, Paul R.; Kociok-Kohn, Gabriele","N-Heterocyclic Carbene Adducts of Molybdenum Tetracarboxylate Complexes","Organometallics","2016","35","15","2494","","10.1021/acs.organomet.6b00386","","","0.71073","MoKα","","0.0674","0.0492","","","0.1138","0.1269","","","","","","1.03","","","","has coordinates,has disorder","186257","2020-10-21","18:00:00",""
"4086602","8.548","0.0002","11.901","0.0003","15.001","0.0004","100.631","0.001","102.629","0.002","102.087","0.001","1413.08","0.06","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C58 H84 Mo2 N4 O8 -","- C58 H84 Mo2 N4 O8 -","- C58 H84 Mo2 N4 O8 -","1","0.5","","Robinson, Thomas P.; Johnson, Andrew L.; Raithby, Paul R.; Kociok-Kohn, Gabriele","N-Heterocyclic Carbene Adducts of Molybdenum Tetracarboxylate Complexes","Organometallics","2016","35","15","2494","","10.1021/acs.organomet.6b00386","","","0.71073","MoKα","","0.0386","0.03","","","0.069","0.0728","","","","","","1.037","","","","has coordinates","186257","2020-10-21","18:00:00",""
"4086603","9.84","0.0002","12.255","0.0003","16.104","0.0002","90","","91.373","0.001","90","","1941.41","0.07","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C30 H40 F12 Mo2 N4 O8 -","- C30 H40 F12 Mo2 N4 O8 -","- C60 H80 F24 Mo4 N8 O16 -","2","0.5","","Robinson, Thomas P.; Johnson, Andrew L.; Raithby, Paul R.; Kociok-Kohn, Gabriele","N-Heterocyclic Carbene Adducts of Molybdenum Tetracarboxylate Complexes","Organometallics","2016","35","15","2494","","10.1021/acs.organomet.6b00386","","","0.71073","MoKα","","0.0363","0.0321","","","0.081","0.0838","","","","","","1.045","","","","has coordinates","186257","2020-10-21","18:00:00",""
"4086604","9.894","0.0002","11.863","0.0002","12.757","0.0003","102.557","0.001","106.21","0.001","93.427","0.001","1391.76","0.05","150.15","","150.15","","","","","","","","","6","P -1","-P 1","2","","","","- C40 H62 Cl2 Mo2 N4 O4 -","- C40 H62 Cl2 Mo2 N4 O4 -","- C40 H62 Cl2 Mo2 N4 O4 -","1","0.5","","Robinson, Thomas P.; Johnson, Andrew L.; Raithby, Paul R.; Kociok-Kohn, Gabriele","N-Heterocyclic Carbene Adducts of Molybdenum Tetracarboxylate Complexes","Organometallics","2016","35","15","2494","","10.1021/acs.organomet.6b00386","","","0.71073","MoKα","","0.0412","0.0355","","","0.1174","0.1212","","","","","","1.093","","","","has coordinates,has disorder","186257","2020-10-21","18:00:00",""
"4086605","8.5749","0.0006","10.4703","0.0006","12.9177","0.0009","66.245","0.002","74.156","0.002","68.998","0.002","979.7","0.11","143","2","143","2","","","","","","","","5","P -1","-P 1","2","","","","- C36 H72 P2 Pt Ru2 -","- C36 H72 P2 Pt Ru2 -","- C36 H72 P2 Pt Ru2 -","1","0.5","","Kuzutani, Takuya; Torihata, Yushi; Suzuki, Hiroharu; Takao, Toshiro","Synthesis of a Heterometallic Trinuclear Cluster of Ruthenium and Platinum with a Linear Alignment","Organometallics","2016","35","15","2543","","10.1021/acs.organomet.6b00449","","","0.71069","MoKα","","0.0274","0.0256","","","0.0546","0.0559","","","","","","1.13","","","","has coordinates","186256","2020-10-21","18:00:00",""
"4086606","9.8865","0.0005","11.0176","0.0006","18.7452","0.0008","79.389","0.002","79.211","0.002","83.866","0.002","1965.89","0.17","123","2","123","2","","","","","","","","5","P -1","-P 1","2","","","","- C36 H72 P2 Pt Ru2 -","- C36 H72 P2 Pt Ru2 -","- C72 H144 P4 Pt2 Ru4 -","2","1","","Kuzutani, Takuya; Torihata, Yushi; Suzuki, Hiroharu; Takao, Toshiro","Synthesis of a Heterometallic Trinuclear Cluster of Ruthenium and Platinum with a Linear Alignment","Organometallics","2016","35","15","2543","","10.1021/acs.organomet.6b00449","","","0.71069","MoKα","","0.0296","0.0258","","","0.0545","0.0562","","","","","","1.043","","","","has coordinates","186256","2020-10-21","18:00:00",""
"4086607","8.752","0.0005","10.7962","0.0006","12.7446","0.0006","67.263","0.001","74.113","0.002","69.112","0.002","1024.65","0.1","123","2","123","2","","","","","","","","6","P -1","-P 1","2","","","","- C38 H68 O2 P2 Pt Ru2 -","- C38 H68 O2 P2 Pt Ru2 -","- C38 H68 O2 P2 Pt Ru2 -","1","0.5","","Kuzutani, Takuya; Torihata, Yushi; Suzuki, Hiroharu; Takao, Toshiro","Synthesis of a Heterometallic Trinuclear Cluster of Ruthenium and Platinum with a Linear Alignment","Organometallics","2016","35","15","2543","","10.1021/acs.organomet.6b00449","","","0.71069","MoKα","","0.0306","0.0285","","","0.0655","0.067","","","","","","1.09","","","","has coordinates","186256","2020-10-21","18:00:00",""
"4086608","8.6625","0.0005","10.8809","0.0007","12.8072","0.0009","68.185","0.002","75.376","0.002","68.479","0.002","1033.1","0.12","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C40 H76 P2 Pt Ru2 -","- C40 H76 P2 Pt Ru2 -","- C40 H76 P2 Pt Ru2 -","1","0.5","","Kuzutani, Takuya; Torihata, Yushi; Suzuki, Hiroharu; Takao, Toshiro","Synthesis of a Heterometallic Trinuclear Cluster of Ruthenium and Platinum with a Linear Alignment","Organometallics","2016","35","15","2543","","10.1021/acs.organomet.6b00449","","","0.71069","MoKα","","0.0291","0.0267","","","0.0613","0.0627","","","","","","1.075","","","","has coordinates","186256","2020-10-21","18:00:00",""
"4086609","8.5555","0.0004","11.451","0.0005","12.2442","0.0006","71.344","0.001","76.054","0.002","65.607","0.001","1026.79","0.08","123","2","123","2","","","","","","","","5","P -1","-P 1","2","","","","- C38 H72 P2 Pt Ru2 -","- C38 H72 P2 Pt Ru2 -","- C38 H72 P2 Pt Ru2 -","1","0.5","","Kuzutani, Takuya; Torihata, Yushi; Suzuki, Hiroharu; Takao, Toshiro","Synthesis of a Heterometallic Trinuclear Cluster of Ruthenium and Platinum with a Linear Alignment","Organometallics","2016","35","15","2543","","10.1021/acs.organomet.6b00449","","","0.71069","MoKα","","0.0323","0.0287","","","0.0673","0.0695","","","","","","1.062","","","","has coordinates","186256","2020-10-21","18:00:00",""
"4086610","11.9109","0.0003","22.567","0.0006","18.4174","0.0005","90","","101.286","0.0009","90","","4854.7","0.2","123","2","123","2","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C48 H80 P2 Pt Ru2 Si -","- C48 H80 P2 Pt Ru2 Si -","- C192 H320 P8 Pt4 Ru8 Si4 -","4","1","","Kuzutani, Takuya; Torihata, Yushi; Suzuki, Hiroharu; Takao, Toshiro","Synthesis of a Heterometallic Trinuclear Cluster of Ruthenium and Platinum with a Linear Alignment","Organometallics","2016","35","15","2543","","10.1021/acs.organomet.6b00449","","","0.71069","MoKα","","0.025","0.0212","","","0.0435","0.0446","","","","","","1.025","","","","has coordinates","186256","2020-10-21","18:00:00",""
"4086611","9.1517","0.0009","10.899","0.001","24.433","0.002","80.683","0.003","86.502","0.003","68.193","0.003","2232.8","0.4","123","2","123","2","","","","","","","","6","P -1","-P 1","2","","","","- C40 H82 P2 Pt Ru2 Si -","- C40 H82 P2 Pt Ru2 Si -","- C80 H164 P4 Pt2 Ru4 Si2 -","2","1","","Kuzutani, Takuya; Torihata, Yushi; Suzuki, Hiroharu; Takao, Toshiro","Synthesis of a Heterometallic Trinuclear Cluster of Ruthenium and Platinum with a Linear Alignment","Organometallics","2016","35","15","2543","","10.1021/acs.organomet.6b00449","","","0.71069","MoKα","","0.0393","0.0279","","","0.0451","0.0481","","","","","","1.028","","","","has coordinates","186256","2020-10-21","18:00:00",""
"4086612","13.167","0.005","13.172","0.005","14.2","0.006","92.35","0.005","95.011","0.005","113.162","0.005","2248","1.5","123","2","123","2","","","","","","","","6","P -1","-P 1","2","","","","- C24 H18 F6 N4 O0.5 Pt -","- C24 H18 F6 N4 O0.5 Pt -","- C96 H72 F24 N16 O2 Pt4 -","4","2","","Na, Hanah; Maity, Ayan; Teets, Thomas S.","Postsynthetic Systematic Electronic Tuning of Organoplatinum Photosensitizers via Secondary Coordination Sphere Interactions","Organometallics","2016","35","13","2267","","10.1021/acs.organomet.6b00332","","","0.71073","MoKα","","0.0305","0.0281","","","0.0739","0.0753","","","","","","1.046","","","","has coordinates,has disorder","184850","2020-10-21","18:00:00",""
"4086613","13.706","0.003","13.825","0.003","16.679","0.004","99.959","0.003","97.774","0.003","94.869","0.003","3065.2","1.2","123","2","123","2","","","","","","","","7","P -1","-P 1","2","","","","- C62 H20 B2 Cl4 F30 N4 Pt -","- C62 H20 B2 Cl4 F30 N4 Pt -","- C124 H40 B4 Cl8 F60 N8 Pt2 -","2","1","","Na, Hanah; Maity, Ayan; Teets, Thomas S.","Postsynthetic Systematic Electronic Tuning of Organoplatinum Photosensitizers via Secondary Coordination Sphere Interactions","Organometallics","2016","35","13","2267","","10.1021/acs.organomet.6b00332","","","0.71073","MoKα","","0.0266","0.0244","","","0.0615","0.0684","","","","","","1.102","","","","has coordinates","184850","2020-10-21","18:00:00",""
"4086614","28.3497","0.0016","7.3389","0.0004","27.2512","0.0015","90","","94.465","0.001","90","","5652.6","0.5","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C60 H20 F25 Hg6 P -","- C60 H20 F25 Hg6 P -","- C240 H80 F100 Hg24 P4 -","4","0.5","","Tugashov, Kirill I.; Gribanyov, Dmitry A.; Dolgushin, Fedor M.; Smol’yakov, Alexander F.; Peregudov, Alexander S.; Minacheva, Marija Kh.; Tikhonova, Irina A.; Shur, Vladimir B.","Coordination Chemistry of Anticrowns. Synthesis and Structures of Double-Decker Sandwich Complexes of the Three-Mercury Anticrown (o-C6F4Hg)3with Halide Anions Containing and Not Containing Coordinated Dibromomethane Molecules","Organometallics","2016","35","13","2197","","10.1021/acs.organomet.6b00231","","","0.71073","MoKα","","0.0492","0.0289","","","0.0468","0.0519","","","","","","1.023","","","","has coordinates","184851","2020-10-21","18:00:00",""
"4086615","15.9466","0.0009","16.61","0.001","23.6812","0.0014","90","","98.0486","0.0012","90","","6210.7","0.6","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C54 H40 Br4 Cl F24 Hg6 N -","- C54 H40 Br4 Cl F24 Hg6 N -","- C216 H160 Br16 Cl4 F96 Hg24 N4 -","4","1","","Tugashov, Kirill I.; Gribanyov, Dmitry A.; Dolgushin, Fedor M.; Smol’yakov, Alexander F.; Peregudov, Alexander S.; Minacheva, Marija Kh.; Tikhonova, Irina A.; Shur, Vladimir B.","Coordination Chemistry of Anticrowns. Synthesis and Structures of Double-Decker Sandwich Complexes of the Three-Mercury Anticrown (o-C6F4Hg)3with Halide Anions Containing and Not Containing Coordinated Dibromomethane Molecules","Organometallics","2016","35","13","2197","","10.1021/acs.organomet.6b00231","","","0.71073","MoKα","","0.1018","0.0645","","","0.1389","0.1579","","","","","","1.092","","","","has coordinates,has disorder","184851","2020-10-21","18:00:00",""
"4086616","16.413","0.0008","16.6253","0.0008","23.5287","0.0012","90","","97.946","0.001","90","","6358.7","0.5","120","2","120","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C54 H40 Br5 F24 Hg6 N -","- C54 H40 Br5 F24 Hg6 N -","- C216 H160 Br20 F96 Hg24 N4 -","4","1","","Tugashov, Kirill I.; Gribanyov, Dmitry A.; Dolgushin, Fedor M.; Smol’yakov, Alexander F.; Peregudov, Alexander S.; Minacheva, Marija Kh.; Tikhonova, Irina A.; Shur, Vladimir B.","Coordination Chemistry of Anticrowns. Synthesis and Structures of Double-Decker Sandwich Complexes of the Three-Mercury Anticrown (o-C6F4Hg)3with Halide Anions Containing and Not Containing Coordinated Dibromomethane Molecules","Organometallics","2016","35","13","2197","","10.1021/acs.organomet.6b00231","","","0.71073","MoKα","","0.0878","0.0434","","","0.0868","0.104","","","","","","1.013","","","","has coordinates,has disorder","184851","2020-10-21","18:00:00",""
"4086617","17.7987","0.0017","27.77","0.003","11.7368","0.0011","90","","90","","90","","5801.1","1","100","2","100","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C60 H20 F24 Hg6 I P -","- C60 H20 F24 Hg6 I P -","- C240 H80 F96 Hg24 I4 P4 -","4","1","","Tugashov, Kirill I.; Gribanyov, Dmitry A.; Dolgushin, Fedor M.; Smol’yakov, Alexander F.; Peregudov, Alexander S.; Minacheva, Marija Kh.; Tikhonova, Irina A.; Shur, Vladimir B.","Coordination Chemistry of Anticrowns. Synthesis and Structures of Double-Decker Sandwich Complexes of the Three-Mercury Anticrown (o-C6F4Hg)3with Halide Anions Containing and Not Containing Coordinated Dibromomethane Molecules","Organometallics","2016","35","13","2197","","10.1021/acs.organomet.6b00231","","","0.71073","MoKα","","0.0638","0.0493","","","0.1053","0.1132","","","","","","1.073","","","","has coordinates","184851","2020-10-21","18:00:00",""
"4086618","14.6676","0.0005","12.8597","0.0004","15.8707","0.0004","90","","119.4","0.002","90","","2608.02","0.15","173","2","173","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C24 H28 B Cl2 F4 Ir N2 -","- C24 H28 B Cl2 F4 Ir N2 -","- C96 H112 B4 Cl8 F16 Ir4 N8 -","4","1","","Hamdaoui, Mustapha; Ney, Marjolaine; Sarda, Vivien; Karmazin, Lydia; Bailly, Corinne; Sieffert, Nicolas; Dohm, Sebastian; Hansen, Andreas; Grimme, Stefan; Djukic, Jean-Pierre","Evidence of a Donor‒Acceptor (Ir‒H)→SiR3Interaction in a Trapped Ir(III) Silane Catalytic Intermediate","Organometallics","2016","35","13","2207","","10.1021/acs.organomet.6b00248","","","0.71073","MoKα","","0.0412","0.0295","","","0.058","0.0627","","","","","","1.105","","","","has coordinates","184852","2020-10-21","18:00:00",""
"4086619","12.8467","0.0005","13.2327","0.0005","17.0526","0.0006","91.546","0.001","97.457","0.001","107.091","0.001","2740.94","0.18","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C55 H38 B F24 Ir N2 -","- C55 H38 B F24 Ir N2 -","- C110 H76 B2 F48 Ir2 N4 -","2","1","","Hamdaoui, Mustapha; Ney, Marjolaine; Sarda, Vivien; Karmazin, Lydia; Bailly, Corinne; Sieffert, Nicolas; Dohm, Sebastian; Hansen, Andreas; Grimme, Stefan; Djukic, Jean-Pierre","Evidence of a Donor‒Acceptor (Ir‒H)→SiR3Interaction in a Trapped Ir(III) Silane Catalytic Intermediate","Organometallics","2016","35","13","2207","","10.1021/acs.organomet.6b00248","","","0.71073","MoKα","","0.0648","0.0473","","","0.1153","0.1241","","","","","","1.021","","","","has coordinates,has disorder","184852","2020-10-21","18:00:00",""
"4086620","12.614","0.005","13.698","0.005","19.789","0.005","81.064","0.005","71.685","0.005","79.438","0.005","3173.5","1.9","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C62 H58 B F24 Ir N Si -","- C62 H58 B F24 Ir N Si -","- C124 H116 B2 F48 Ir2 N2 Si2 -","2","1","","Hamdaoui, Mustapha; Ney, Marjolaine; Sarda, Vivien; Karmazin, Lydia; Bailly, Corinne; Sieffert, Nicolas; Dohm, Sebastian; Hansen, Andreas; Grimme, Stefan; Djukic, Jean-Pierre","Evidence of a Donor‒Acceptor (Ir‒H)→SiR3Interaction in a Trapped Ir(III) Silane Catalytic Intermediate","Organometallics","2016","35","13","2207","","10.1021/acs.organomet.6b00248","","","0.71073","MoKα","","0.0396","0.0327","","","0.0767","0.0791","","","","","","1.039","","","","has coordinates","184852","2020-10-21","18:00:00",""
"4086621","10.9779","0.0009","23.2754","0.0019","21.004","0.0013","90","","120.899","0.003","90","","4605.1","0.6","173","2","173","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C45 H51 Cl4 F3 Ir2 N2 O3 S -","- C45 H51 Cl4 F3 Ir2 N2 O3 S -","- C180 H204 Cl16 F12 Ir8 N8 O12 S4 -","4","1","","Hamdaoui, Mustapha; Ney, Marjolaine; Sarda, Vivien; Karmazin, Lydia; Bailly, Corinne; Sieffert, Nicolas; Dohm, Sebastian; Hansen, Andreas; Grimme, Stefan; Djukic, Jean-Pierre","Evidence of a Donor‒Acceptor (Ir‒H)→SiR3Interaction in a Trapped Ir(III) Silane Catalytic Intermediate","Organometallics","2016","35","13","2207","","10.1021/acs.organomet.6b00248","","","0.71073","MoKα","","0.0584","0.0407","","","0.0772","0.0831","","","","","","1.149","","","","has coordinates","184852","2020-10-21","18:00:00",""
"4086622","10.6089","0.0003","9.247","0.0002","8.2942","0.0002","90","","103.078","0.0012","90","","792.56","0.03","173","2","173","2","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","2","","","- C20 H22 -","- C20 H22 -","- C40 H44 -","2","0.5","","Shynkaruk, Olena; Qi, Yanyu; Cottrell-Callbeck, Aiden; Torres Delgado, William; McDonald, Robert; Ferguson, Michael J.; He, Gang; Rivard, Eric","Modular Synthesis of Diarylalkynes and Their Efficient Conversion into Luminescent Tetraarylbutadienes","Organometallics","2016","35","13","2232","","10.1021/acs.organomet.6b00298","","","1.54178","CuKα","","0.0556","0.052","","","0.1438","0.1484","","","","","","1.081","","","","has coordinates","184853","2020-10-21","18:00:00",""
"4086623","5.61635","0.00009","11.25535","0.00019","11.73665","0.00018","104.289","0.0005","98.3322","0.0005","93.168","0.0006","708.16","0.02","233","2","233","2","","","","","","","","3","P -1","-P 1","2","5","","","- C38 H28 N2 -","- C38 H28 N2 -","- C38 H28 N2 -","1","0.5","","Shynkaruk, Olena; Qi, Yanyu; Cottrell-Callbeck, Aiden; Torres Delgado, William; McDonald, Robert; Ferguson, Michael J.; He, Gang; Rivard, Eric","Modular Synthesis of Diarylalkynes and Their Efficient Conversion into Luminescent Tetraarylbutadienes","Organometallics","2016","35","13","2232","","10.1021/acs.organomet.6b00298","","","1.54178","CuKα","","0.0535","0.0515","","","0.1426","0.1453","","","","","","1.064","","","","has coordinates","184853","2020-10-21","18:00:00",""
"4086624","12.1953","0.0002","17.8804","0.0003","19.9108","0.0003","99.7859","0.0007","100.473","0.0008","102.838","0.0007","4061.2","0.12","173","2","173","2","","","","","","","","3","P -1","-P 1","2","6a","","","- C50 H54 Zr -","- C50 H54 Zr -","- C200 H216 Zr4 -","4","2","","Shynkaruk, Olena; Qi, Yanyu; Cottrell-Callbeck, Aiden; Torres Delgado, William; McDonald, Robert; Ferguson, Michael J.; He, Gang; Rivard, Eric","Modular Synthesis of Diarylalkynes and Their Efficient Conversion into Luminescent Tetraarylbutadienes","Organometallics","2016","35","13","2232","","10.1021/acs.organomet.6b00298","","","1.54178","CuKα","","0.0399","0.0356","","","0.0939","0.0987","","","","","","1.054","","","","has coordinates,has disorder","184853","2020-10-21","18:00:00",""
"4086625","11.4211","0.0002","20.4302","0.0003","14.2505","0.0002","90","","105.603","0.0009","90","","3202.61","0.09","173","2","173","2","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","7a","","","- C40 H46 -","- C40 H46 -","- C160 H184 -","4","1","","Shynkaruk, Olena; Qi, Yanyu; Cottrell-Callbeck, Aiden; Torres Delgado, William; McDonald, Robert; Ferguson, Michael J.; He, Gang; Rivard, Eric","Modular Synthesis of Diarylalkynes and Their Efficient Conversion into Luminescent Tetraarylbutadienes","Organometallics","2016","35","13","2232","","10.1021/acs.organomet.6b00298","","","1.54178","CuKα","","0.0776","0.0584","","","0.1516","0.1742","","","","","","1.024","","","","has coordinates,has disorder","184853","2020-10-21","18:00:00",""
"4086626","11.6007","0.0003","6.5548","0.0001","12.6109","0.0003","90","","110.62","0.0005","90","","897.5","0.03","173","2","173","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","7b","","","- C20 H14 S4 -","- C20 H14 S4 -","- C40 H28 S8 -","2","0.5","","Shynkaruk, Olena; Qi, Yanyu; Cottrell-Callbeck, Aiden; Torres Delgado, William; McDonald, Robert; Ferguson, Michael J.; He, Gang; Rivard, Eric","Modular Synthesis of Diarylalkynes and Their Efficient Conversion into Luminescent Tetraarylbutadienes","Organometallics","2016","35","13","2232","","10.1021/acs.organomet.6b00298","","","1.54178","CuKα","","0.0324","0.0322","","","0.0949","0.0951","","","","","","1.075","","","","has coordinates,has disorder","184853","2020-10-21","18:00:00",""
"4086627","10.6273","0.0003","10.7075","0.0004","17.7058","0.0005","106.334","0.003","93.67","0.002","113.637","0.003","1735.07","0.11","200","0.14","200","0.14","","","","","","","","9","P -1","-P 1","2","","","","- C28 H35.83 Au B Cl3 F4 Fe N4 O0.42 -","- C28 H35.828 Au B Cl3 F4 Fe N4 O0.414 -","- C56 H71.656 Au2 B2 Cl6 F8 Fe2 N8 O0.828 -","2","1","","Ibáñez, Susana; Poyatos, Macarena; Dawe, Louise N.; Gusev, Dmitry; Peris, Eduardo","Ferrocenyl-Imidazolylidene Ligand for Redox-Switchable Gold-Based Catalysis. A Detailed Study on the Redox-Switching Abilities of the Ligand","Organometallics","2016","35","16","2747","","10.1021/acs.organomet.6b00517","","","0.71073","MoKα","","0.0894","0.0564","","","0.1503","0.176","","","","","","1.043","","","","has coordinates,has disorder","186262","2020-10-21","18:00:00",""
"4086628","18.7844","0.0007","10.9697","0.0003","18.5044","0.0006","90","","104.285","0.004","90","","3695.1","0.2","200","0.14","293","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C36 H43 B F4 Fe I Ir N4 -","- C36 H43 B F4 Fe I Ir N4 -","- C144 H172 B4 F16 Fe4 I4 Ir4 N16 -","4","1","","Ibáñez, Susana; Poyatos, Macarena; Dawe, Louise N.; Gusev, Dmitry; Peris, Eduardo","Ferrocenyl-Imidazolylidene Ligand for Redox-Switchable Gold-Based Catalysis. A Detailed Study on the Redox-Switching Abilities of the Ligand","Organometallics","2016","35","16","2747","","10.1021/acs.organomet.6b00517","","","0.71073","MoKα","","0.0779","0.0477","","","0.1206","0.143","","","","","","1.081","","","","has coordinates","186262","2020-10-21","18:00:00",""
"4086629","10.7513","0.0006","10.7753","0.0009","14.3647","0.0004","81.906","0.005","75.409","0.004","69.238","0.006","1503.44","0.17","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C28 H33 Au Cl4 Fe N4 -","- C28 H33 Au Cl4 Fe N4 -","- C56 H66 Au2 Cl8 Fe2 N8 -","2","1","","Ibáñez, Susana; Poyatos, Macarena; Dawe, Louise N.; Gusev, Dmitry; Peris, Eduardo","Ferrocenyl-Imidazolylidene Ligand for Redox-Switchable Gold-Based Catalysis. A Detailed Study on the Redox-Switching Abilities of the Ligand","Organometallics","2016","35","16","2747","","10.1021/acs.organomet.6b00517","","x-ray","0.71073","MoKα","","0.0513","0.0439","","","0.1072","0.1161","","","","","","1.043","","","","has coordinates","186262","2020-10-21","18:00:00",""
"4086630","9.3969","0.0009","19.8967","0.0019","14.2982","0.0014","90","","97.979","0.001","90","","2647.4","0.4","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C27 H37 Al N2 -","- C27 H37 Al N2 -","- C108 H148 Al4 N8 -","4","1","","Wei, Yun; Wang, Shaowu; Zhu, Xiancui; Zhou, Shuangliu; Mu, Xiaolong; Huang, Zeming; Hong, Dongjing","Aluminum Complexes Bearing N-Protected 2-Amino- or 2-Imino-Functionalized Pyrrolyl Ligands: Synthesis, Structure, and Catalysis for Preparation of Pyrrolyl-End-Functionalized Polyesters","Organometallics","2016","35","16","2621","","10.1021/acs.organomet.6b00327","","","0.71073","MoKα","","0.1101","0.0664","","","0.1999","0.2339","","","","","","1.062","","","","has coordinates","186260","2020-10-21","18:00:00",""
"4086631","8.7138","0.001","11.5602","0.0013","12.2481","0.0013","77.218","0.001","87.061","0.001","74.191","0.001","1157.7","0.2","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C50 H62 Al2 N4 -","- C50 H62 Al2 N4 -","- C50 H62 Al2 N4 -","1","0.5","","Wei, Yun; Wang, Shaowu; Zhu, Xiancui; Zhou, Shuangliu; Mu, Xiaolong; Huang, Zeming; Hong, Dongjing","Aluminum Complexes Bearing N-Protected 2-Amino- or 2-Imino-Functionalized Pyrrolyl Ligands: Synthesis, Structure, and Catalysis for Preparation of Pyrrolyl-End-Functionalized Polyesters","Organometallics","2016","35","16","2621","","10.1021/acs.organomet.6b00327","","","0.71073","MoKα","","0.0849","0.0525","","","0.1481","0.1677","","","","","","1.079","","","","has coordinates","186260","2020-10-21","18:00:00",""
"4086632","10.9508","0.0009","20.8936","0.0017","13.999","0.0011","90","","106.686","0.001","90","","3068.1","0.4","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C66 H82 Al2 N4 -","- C66 H82 Al2 N4 -","- C132 H164 Al4 N8 -","2","0.5","","Wei, Yun; Wang, Shaowu; Zhu, Xiancui; Zhou, Shuangliu; Mu, Xiaolong; Huang, Zeming; Hong, Dongjing","Aluminum Complexes Bearing N-Protected 2-Amino- or 2-Imino-Functionalized Pyrrolyl Ligands: Synthesis, Structure, and Catalysis for Preparation of Pyrrolyl-End-Functionalized Polyesters","Organometallics","2016","35","16","2621","","10.1021/acs.organomet.6b00327","","","0.71073","MoKα","","0.1021","0.0695","","","0.2067","0.2355","","","","","","0.982","","","","has coordinates","186260","2020-10-21","18:00:00",""
"4086633","10.506","0.0013","11.787","0.0015","14.9351","0.0019","90","","101.71","0.002","90","","1811","0.4","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C38 H54 Al2 N4 -","- C38 H54 Al2 N4 -","- C76 H108 Al4 N8 -","2","0.5","","Wei, Yun; Wang, Shaowu; Zhu, Xiancui; Zhou, Shuangliu; Mu, Xiaolong; Huang, Zeming; Hong, Dongjing","Aluminum Complexes Bearing N-Protected 2-Amino- or 2-Imino-Functionalized Pyrrolyl Ligands: Synthesis, Structure, and Catalysis for Preparation of Pyrrolyl-End-Functionalized Polyesters","Organometallics","2016","35","16","2621","","10.1021/acs.organomet.6b00327","","","0.71073","MoKα","","0.0945","0.0604","","","0.1496","0.1711","","","","","","1.025","","","","has coordinates,has disorder","186260","2020-10-21","18:00:00",""
"4086634","12.2339","0.0011","14.4323","0.0013","13.9216","0.0012","90","","93.349","0.001","90","","2453.8","0.4","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C52 H70 Al2 N4 -","- C52 H70 Al2 N4 -","- C104 H140 Al4 N8 -","2","0.5","","Wei, Yun; Wang, Shaowu; Zhu, Xiancui; Zhou, Shuangliu; Mu, Xiaolong; Huang, Zeming; Hong, Dongjing","Aluminum Complexes Bearing N-Protected 2-Amino- or 2-Imino-Functionalized Pyrrolyl Ligands: Synthesis, Structure, and Catalysis for Preparation of Pyrrolyl-End-Functionalized Polyesters","Organometallics","2016","35","16","2621","","10.1021/acs.organomet.6b00327","","","0.71073","MoKα","","0.1067","0.0601","","","0.1613","0.1889","","","","","","1.017","","","","has coordinates","186260","2020-10-21","18:00:00",""
"4086635","10.7701","0.0013","11.2577","0.0014","11.7012","0.0014","95.089","0.002","95.951","0.002","105.241","0.002","1351.5","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C56 H78 Al2 N4 O2 -","- C56 H78 Al2 N4 O2 -","- C56 H78 Al2 N4 O2 -","1","0.5","","Wei, Yun; Wang, Shaowu; Zhu, Xiancui; Zhou, Shuangliu; Mu, Xiaolong; Huang, Zeming; Hong, Dongjing","Aluminum Complexes Bearing N-Protected 2-Amino- or 2-Imino-Functionalized Pyrrolyl Ligands: Synthesis, Structure, and Catalysis for Preparation of Pyrrolyl-End-Functionalized Polyesters","Organometallics","2016","35","16","2621","","10.1021/acs.organomet.6b00327","","","0.71073","MoKα","","0.1009","0.0525","","","0.1309","0.1554","","","","","","0.997","","","","has coordinates","186260","2020-10-21","18:00:00",""
"4086636","11.2538","0.0008","11.4035","0.0008","17.9409","0.0013","90","","92.087","0.001","90","","2300.9","0.3","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C44 H70 Al2 N4 O2 -","- C44 H70 Al2 N4 O2 -","- C88 H140 Al4 N8 O4 -","2","0.5","","Wei, Yun; Wang, Shaowu; Zhu, Xiancui; Zhou, Shuangliu; Mu, Xiaolong; Huang, Zeming; Hong, Dongjing","Aluminum Complexes Bearing N-Protected 2-Amino- or 2-Imino-Functionalized Pyrrolyl Ligands: Synthesis, Structure, and Catalysis for Preparation of Pyrrolyl-End-Functionalized Polyesters","Organometallics","2016","35","16","2621","","10.1021/acs.organomet.6b00327","","","0.71073","MoKα","","0.0709","0.049","","","0.138","0.1561","","","","","","1.04","","","","has coordinates","186260","2020-10-21","18:00:00",""
"4086637","13.308","0.005","16.101","0.005","17","0.005","84.25","0.011","68.341","0.012","89.69","0.014","3366.4","1.9","296","2","296","2","","","","","","","benzene, hexane","7","P -1","-P 1","2","","","","- C73 H70 Ag F3 N4 O3 S5 -","- C73 H70 Ag F3 N4 O3 S5 -","- C146 H140 Ag2 F6 N8 O6 S10 -","2","1","","Morosaki, Tomohito; Suzuki, Tsubasa; Fujii, Takayoshi","Syntheses and Structural Characterization of Mono-, Di-, and Tetranuclear Silver Carbone Complexes","Organometallics","2016","35","16","2715","","10.1021/acs.organomet.6b00452","","","0.71075","MoKα","","0.0619","0.0469","","","0.1182","0.1264","","","","","","1.065","","","","has coordinates","186261","2020-10-21","18:00:00",""
"4086638","11.832","0.003","18.486","0.006","12.634","0.003","90","","117.665","0.008","90","","2447.5","1.2","173","2","173","2","","","","","","","dichloromethane, hexane","7","P 1 21 1","P 2yb","4","","","","- C53 H46 Ag F3 N2 O3 S5 -","- C53 H46 Ag F3 N2 O3 S5 -","- C106 H92 Ag2 F6 N4 O6 S10 -","2","1","","Morosaki, Tomohito; Suzuki, Tsubasa; Fujii, Takayoshi","Syntheses and Structural Characterization of Mono-, Di-, and Tetranuclear Silver Carbone Complexes","Organometallics","2016","35","16","2715","","10.1021/acs.organomet.6b00452","","","0.71075","MoKα","","0.0301","0.0276","","","0.0575","0.0594","","","","","","1.046","","","","has coordinates","186261","2020-10-21","18:00:00",""
"4086639","11.099","0.005","12.343","0.006","12.467","0.006","64.294","0.016","65.426","0.016","84.926","0.017","1390.7","1.2","173","2","173","2","","","","","","","dichloromethane, hexane","7","P -1","-P 1","2","","","","- C56 H52 Ag2 F6 N4 O6 S6 -","- C56 H52 Ag2 F6 N4 O6 S6 -","- C56 H52 Ag2 F6 N4 O6 S6 -","1","0.5","","Morosaki, Tomohito; Suzuki, Tsubasa; Fujii, Takayoshi","Syntheses and Structural Characterization of Mono-, Di-, and Tetranuclear Silver Carbone Complexes","Organometallics","2016","35","16","2715","","10.1021/acs.organomet.6b00452","","","0.71075","MoKα","","0.0662","0.0507","","","0.1492","0.1689","","","","","","1.11","","","","has coordinates","186261","2020-10-21","18:00:00",""
"4086641","23.188","0.003","18.185","0.004","17.046","0.004","90","","116.234","0.007","90","","6447","2","173","2","173","2","","","","","","","acetone, diethyl ether","7","C 1 2/c 1","-C 2yc","15","","","","- C28 H23 Ag2 F6 N O6 S4 -","- C28 H23 Ag2 F6 N O6 S4 -","- C224 H184 Ag16 F48 N8 O48 S32 -","8","1","","Morosaki, Tomohito; Suzuki, Tsubasa; Fujii, Takayoshi","Syntheses and Structural Characterization of Mono-, Di-, and Tetranuclear Silver Carbone Complexes","Organometallics","2016","35","16","2715","","10.1021/acs.organomet.6b00452","","","0.71075","MoKα","","0.0693","0.048","","","0.1141","0.1407","","","","","","1.056","","","","has coordinates","186261","2020-10-21","18:00:00",""
"4086642","23.76","0.004","17.913","0.004","17.308","0.003","90","","116.831","0.004","90","","6573","2","173","2","173","2","","","","","","","acetone, diethyl ether","8","C 1 2/c 1","-C 2yc","15","","","","- C28 H23 Ag2 F6 N O6 S3 Se -","- C28 H23 Ag2 F6 N O6 S3 Se -","- C224 H184 Ag16 F48 N8 O48 S24 Se8 -","8","1","","Morosaki, Tomohito; Suzuki, Tsubasa; Fujii, Takayoshi","Syntheses and Structural Characterization of Mono-, Di-, and Tetranuclear Silver Carbone Complexes","Organometallics","2016","35","16","2715","","10.1021/acs.organomet.6b00452","","","0.71075","MoKα","","0.0803","0.0483","","","0.1248","0.1434","","","","","","1.057","","","","has coordinates,has disorder","186261","2020-10-21","18:00:00",""
"4086643","22.239","0.009","21.009","0.007","25.246","0.008","90","","90","","90","","11795","7","110","","110","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C32 H41 N2 O0.5 Pd -","- C32 H41 N2 O0.5 Pd -","- C512 H656 N32 O8 Pd16 -","16","2","","Behnia, Ava; Boyle, Paul D.; Blacquiere, Johanna M.; Puddephatt, Richard J.","Selective Oxygen Atom Insertion into an Aryl‒Palladium Bond","Organometallics","2016","35","16","2645","","10.1021/acs.organomet.6b00387","","","0.71073","MoKα","","0.0866","0.054","","","0.1141","0.1305","","","","","","1.037","","","","has coordinates,has disorder","186259","2020-10-21","18:00:00",""
"4086644","17.252","0.004","17.252","","14.344","0.004","90","","90","","90","","4269.2","1.5","110","","110","","","","","","","","","5","I 41 c d","I 4bw -2c","110","","","","- C20 H24 Br2 N2 Pd -","- C20 H24 Br2 N2 Pd -","- C160 H192 Br16 N16 Pd8 -","8","0.5","","Behnia, Ava; Boyle, Paul D.; Blacquiere, Johanna M.; Puddephatt, Richard J.","Selective Oxygen Atom Insertion into an Aryl‒Palladium Bond","Organometallics","2016","35","16","2645","","10.1021/acs.organomet.6b00387","","","0.71073","MoKα","","0.0606","0.0321","","","0.0708","0.0789","","","","","","1.069","","","","has coordinates","186259","2020-10-21","18:00:00",""
"4086645","19.207","0.004","19.213","0.004","29.23","0.006","90","","100.07","0.01","90","","10620","4","173","","173","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C23 H30 I2 N2 O Pd -","- C23 H30 I2 N2 O Pd -","- C368 H480 I32 N32 O16 Pd16 -","16","2","","Behnia, Ava; Boyle, Paul D.; Blacquiere, Johanna M.; Puddephatt, Richard J.","Selective Oxygen Atom Insertion into an Aryl‒Palladium Bond","Organometallics","2016","35","16","2645","","10.1021/acs.organomet.6b00387","","","0.71073","MoKα","","0.068","0.0342","","","0.0585","0.0676","","","","","","1.038","","","","has coordinates","186259","2020-10-21","18:00:00",""
"4086646","9.8813","0.0019","22.647","0.007","13.939","0.004","90","","95.725","0.009","90","","3103.7","1.4","110","","110","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C36 H42 N2 O Pd -","- C36 H42 N2 O Pd -","- C144 H168 N8 O4 Pd4 -","4","1","","Behnia, Ava; Boyle, Paul D.; Blacquiere, Johanna M.; Puddephatt, Richard J.","Selective Oxygen Atom Insertion into an Aryl‒Palladium Bond","Organometallics","2016","35","16","2645","","10.1021/acs.organomet.6b00387","","","0.71073","MoKα","","0.0638","0.0369","","","0.0763","0.085","","","","","","1.026","","","","has coordinates","186259","2020-10-21","18:00:00",""
"4086647","14.7583","0.0004","13.6057","0.0004","16.2524","0.0004","90","","112.582","0.001","90","","3013.23","0.14","150","","150","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C30 H40 B Cl Fe N4 O -","- C30 H40 B Cl Fe N4 O -","- C120 H160 B4 Cl4 Fe4 N16 O4 -","4","1","","Hickey, Anne K.; Lee, Wei-Tsung; Chen, Chun-Hsing; Pink, Maren; Smith, Jeremy M.","A Bidentate Carbene Ligand Stabilizes a Low-Coordinate Iron(0) Carbonyl Complex","Organometallics","2016","35","17","3069","","10.1021/acs.organomet.6b00599","","","0.71073","MoKα","","0.056","0.0392","","0.1065","0.0959","0.1065","","","","","","0.9601","","","","has coordinates,has disorder","186959","2020-10-21","18:00:00",""
"4086648","25.9177","0.0008","11.9809","0.0004","24.7792","0.0008","90","","98.1421","0.0018","90","","7616.8","0.4","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C43.5 H52 B Fe N4 -","- C43.5 H52 B Fe N4 -","- C348 H416 B8 Fe8 N32 -","8","1","","Hickey, Anne K.; Lee, Wei-Tsung; Chen, Chun-Hsing; Pink, Maren; Smith, Jeremy M.","A Bidentate Carbene Ligand Stabilizes a Low-Coordinate Iron(0) Carbonyl Complex","Organometallics","2016","35","17","3069","","10.1021/acs.organomet.6b00599","","","0.71073","MoKα","","0.0886","0.0452","","","0.0935","0.1067","","","","","","1.017","","","","has coordinates,has disorder","186959","2020-10-21","18:00:00",""
"4086649","8.7519","0.0007","18.4759","0.0017","11.7496","0.0011","90","","110.301","0.002","90","","1781.9","0.3","150","","150","","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C35 H38 B Fe N4 O3 -","- C35 H38 B Fe N4 O3 -","- C70 H76 B2 Fe2 N8 O6 -","2","0.5","","Hickey, Anne K.; Lee, Wei-Tsung; Chen, Chun-Hsing; Pink, Maren; Smith, Jeremy M.","A Bidentate Carbene Ligand Stabilizes a Low-Coordinate Iron(0) Carbonyl Complex","Organometallics","2016","35","17","3069","","10.1021/acs.organomet.6b00599","","","0.71073","MoKα","","0.1338","0.0983","","0.3081","0.2859","0.3081","","","","","","0.9703","","","","has coordinates","186959","2020-10-21","18:00:00",""
"4086650","19.2814","0.0008","10.6535","0.0004","20.1649","0.0008","90","","111.215","0.002","90","","3861.4","0.3","150","","150","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C76 H104 B2 Fe2 K2 N8 O9 -","- C76 H104 B2 Fe2 K2 N8 O9 -","- C152 H208 B4 Fe4 K4 N16 O18 -","2","0.5","","Hickey, Anne K.; Lee, Wei-Tsung; Chen, Chun-Hsing; Pink, Maren; Smith, Jeremy M.","A Bidentate Carbene Ligand Stabilizes a Low-Coordinate Iron(0) Carbonyl Complex","Organometallics","2016","35","17","3069","","10.1021/acs.organomet.6b00599","","","0.71073","MoKα","","0.0681","0.051","","0.1429","0.1296","0.1429","","","","","","0.9778","","","","has coordinates,has disorder","186959","2020-10-21","18:00:00",""
"4086651","19.0675","0.0011","15.385","0.001","20.8311","0.0013","90","","116.91","0.0018","90","","5449.2","0.6","150","","150","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C51 H76 B Fe K N6 O10 -","- C51 H76 B Fe K N6 O10 -","- C204 H304 B4 Fe4 K4 N24 O40 -","4","1","","Hickey, Anne K.; Lee, Wei-Tsung; Chen, Chun-Hsing; Pink, Maren; Smith, Jeremy M.","A Bidentate Carbene Ligand Stabilizes a Low-Coordinate Iron(0) Carbonyl Complex","Organometallics","2016","35","17","3069","","10.1021/acs.organomet.6b00599","","","0.71073","MoKα","","0.0708","0.0425","","0.1158","0.0968","0.1158","","","","","","0.9981","","","","has coordinates","186959","2020-10-21","18:00:00",""
"4086652","17.9937","0.0009","9.9566","0.0006","18.6293","0.0009","90","","90.761","0.005","90","","3337.3","0.3","170","2","170","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C29 H28 F12 N8 Os P2 -","- C29 H28 F12 N8 Os P2 -","- C116 H112 F48 N32 Os4 P8 -","4","1","","Lalaoui, Noémie; Reuillard, Bertrand; Philouze, Christian; Holzinger, Michael; Cosnier, Serge; Le Goff, Alan","Osmium(II) Complexes Bearing Chelating N-Heterocyclic Carbene and Pyrene-Modified Ligands: Surface Electrochemistry and Electron Transfer Mediation of Oxygen Reduction by Multicopper Enzymes","Organometallics","2016","","","","","10.1021/acs.organomet.6b00508","","x-ray","0.71073","MoKα","","0.1425","0.0729","","","0.108","0.1352","","","","","","0.97","","","","has coordinates","288505","2023-12-22","15:12:01",""
"4086653","10.491","0.0003","16.4005","0.0005","14.4413","0.0004","90","","98.8312","0.0017","90","","2455.28","0.12","183","2","183.15","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C28 H19 Cl Fe N O3 P -","- C28 H19 Cl Fe N O3 P -","- C112 H76 Cl4 Fe4 N4 O12 P4 -","4","1","","Chu, Wan-Yi; Richers, Casseday P.; Kahle, Elizabeth R.; Rauchfuss, Thomas B.; Arrigoni, Federica; Zampella, Giuseppe","Imine-Centered Reactions in Imino-Phosphine Complexes of Iron Carbonyls","Organometallics","2016","35","17","2782","","10.1021/acs.organomet.6b00318","","x-ray","1.54178","CuKα","","0.042","0.0378","","","0.0938","0.0964","","","","","","1.07","","","","has coordinates","186960","2020-10-21","18:00:00",""
"4086654","10.8245","0.0003","11.3704","0.0003","12.7062","0.0003","104.288","0.0011","94.2083","0.0011","115.034","0.001","1344.66","0.06","100","2","100.15","","","","","","","","","7","P -1","-P 1","2","","","","- C30 H28 Cl Fe N O2 P2 -","- C30 H28 Cl Fe N O2 P2 -","- C60 H56 Cl2 Fe2 N2 O4 P4 -","2","1","","Chu, Wan-Yi; Richers, Casseday P.; Kahle, Elizabeth R.; Rauchfuss, Thomas B.; Arrigoni, Federica; Zampella, Giuseppe","Imine-Centered Reactions in Imino-Phosphine Complexes of Iron Carbonyls","Organometallics","2016","35","17","2782","","10.1021/acs.organomet.6b00318","","x-ray","0.71073","MoKα","","0.0281","0.025","","","0.0631","0.065","","","","","","1.039","","","","has coordinates","186960","2020-10-21","18:00:00",""
"4086655","10.5237","0.0007","15.539","0.001","21.4165","0.0012","90","","100.56","0.002","90","","3442.9","0.4","100","2","100.01","","","","","","","","","9","P 1 21/n 1","-P 2yn","14","","","","- C33 H30 B Cl3 F4 Fe N O4 P -","- C33 H30 B Cl3 F4 Fe N O4 P -","- C132 H120 B4 Cl12 F16 Fe4 N4 O16 P4 -","4","1","","Chu, Wan-Yi; Richers, Casseday P.; Kahle, Elizabeth R.; Rauchfuss, Thomas B.; Arrigoni, Federica; Zampella, Giuseppe","Imine-Centered Reactions in Imino-Phosphine Complexes of Iron Carbonyls","Organometallics","2016","35","17","2782","","10.1021/acs.organomet.6b00318","","x-ray","0.71073","MoKα","","0.065","0.0553","","","0.1296","0.1348","","","","","","1.039","","","","has coordinates,has disorder","186960","2020-10-21","18:00:00",""
"4086656","10.0087","0.0003","17.369","0.0005","17.4659","0.0005","90","","101.249","0.0014","90","","2977.96","0.15","100","2","100.15","","","","","","","","","9","P 1 21/n 1","-P 2yn","14","","","","- C29 H21 B Cl3 F4 Fe N O3 P -","- C29 H21 B Cl3 F4 Fe N O3 P -","- C116 H84 B4 Cl12 F16 Fe4 N4 O12 P4 -","4","1","","Chu, Wan-Yi; Richers, Casseday P.; Kahle, Elizabeth R.; Rauchfuss, Thomas B.; Arrigoni, Federica; Zampella, Giuseppe","Imine-Centered Reactions in Imino-Phosphine Complexes of Iron Carbonyls","Organometallics","2016","35","17","2782","","10.1021/acs.organomet.6b00318","","x-ray","0.71073","MoKα","","0.0368","0.03","","","0.0752","0.079","","","","","","1.021","","","","has coordinates","186960","2020-10-21","18:00:00",""
"4086657","22.5666","0.0008","11.3932","0.0004","40.4725","0.0014","90","","91.852","0.002","90","","10400.3","0.6","183","2","183.15","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C52 H38 Cl2 Fe N2 O2 P2 -","- C52 H38 Cl2 Fe N2 O2 P2 -","- C416 H304 Cl16 Fe8 N16 O16 P16 -","8","1","","Chu, Wan-Yi; Richers, Casseday P.; Kahle, Elizabeth R.; Rauchfuss, Thomas B.; Arrigoni, Federica; Zampella, Giuseppe","Imine-Centered Reactions in Imino-Phosphine Complexes of Iron Carbonyls","Organometallics","2016","35","17","2782","","10.1021/acs.organomet.6b00318","","x-ray","1.54178","CuKα","","0.0609","0.0444","","","0.11","0.1168","","","","","","1.058","","","","has coordinates","186960","2020-10-21","18:00:00",""
"4086658","24.4126","0.0017","24.4126","0.0017","54.953","0.004","90","","90","","120","","28363","3","100","2","100","2","","","","","","","","9","R -3 :H","-R 3","148","","","","- C54 H38 Cl2 F6 Fe N2 O8 P2 S2 -","- C53.9997 H38 Cl2 F5.999 Fe N2 O7.999 P2 S1.99967 -","- C971.994 H684 Cl36 F107.982 Fe18 N36 O143.982 P36 S35.994 -","18","1","","Chu, Wan-Yi; Richers, Casseday P.; Kahle, Elizabeth R.; Rauchfuss, Thomas B.; Arrigoni, Federica; Zampella, Giuseppe","Imine-Centered Reactions in Imino-Phosphine Complexes of Iron Carbonyls","Organometallics","2016","35","17","2782","","10.1021/acs.organomet.6b00318","","","0.71073","MoKα","","0.081","0.07","","","0.1802","0.1898","","","","","","1.074","","","","has coordinates,has disorder","186960","2020-10-21","18:00:00",""
"4086659","8.6636","0.0004","11.5678","0.0006","13.4797","0.0007","77.8353","0.0019","72.9507","0.0018","77.268","0.002","1244.24","0.11","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C29 H22 Fe N O4 P -","- C29 H22 Fe N O4 P -","- C58 H44 Fe2 N2 O8 P2 -","2","1","","Chu, Wan-Yi; Richers, Casseday P.; Kahle, Elizabeth R.; Rauchfuss, Thomas B.; Arrigoni, Federica; Zampella, Giuseppe","Imine-Centered Reactions in Imino-Phosphine Complexes of Iron Carbonyls","Organometallics","2016","35","17","2782","","10.1021/acs.organomet.6b00318","","","0.71073","MoKα","","0.0305","0.0266","","","0.0653","0.0667","","","","","","1.073","","","","has coordinates","186960","2020-10-21","18:00:00",""
"4086660","17.1738","0.0018","19.024","0.0019","11.088","0.0011","90","","90","","90","","3622.6","0.6","100","2","100","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C31 H38 B I N4 -","- C31 H38 B I N4 -","- C124 H152 B4 I4 N16 -","4","0.5","","Garner, Mary E.; Hohloch, Stephan; Maron, Laurent; Arnold, John","A New Supporting Ligand in Actinide Chemistry Leads to Reactive Bis(NHC)borate-Supported Thorium Complexes","Organometallics","2016","35","17","2915","","10.1021/acs.organomet.6b00467","","","0.71073","MoKα","","0.0386","0.0325","","","0.0718","0.0745","","","","","","1.08","","","","has coordinates","186962","2020-10-21","18:00:00",""
"4086661","23.7934","0.0007","9.936","0.0003","19.818","0.0006","90","","97.451","0.001","90","","4645.6","0.2","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C48 H56 B2 Li2 N8 -","- C48 H56 B2 Li2 N8 -","- C192 H224 B8 Li8 N32 -","4","0.5","","Garner, Mary E.; Hohloch, Stephan; Maron, Laurent; Arnold, John","A New Supporting Ligand in Actinide Chemistry Leads to Reactive Bis(NHC)borate-Supported Thorium Complexes","Organometallics","2016","35","17","2915","","10.1021/acs.organomet.6b00467","","","0.71073","MoKα","","0.0653","0.0548","","","0.1565","0.1651","","","","","","1.054","","","","has coordinates","186962","2020-10-21","18:00:00",""
"4086662","20.2137","0.0006","14.9538","0.0004","32.5624","0.0009","90","","90","","90","","9842.7","0.5","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C48 H56 B2 I2 N8 Th -","- C48 H56 B2 I2 N8 Th -","- C384 H448 B16 I16 N64 Th8 -","8","1","","Garner, Mary E.; Hohloch, Stephan; Maron, Laurent; Arnold, John","A New Supporting Ligand in Actinide Chemistry Leads to Reactive Bis(NHC)borate-Supported Thorium Complexes","Organometallics","2016","35","17","2915","","10.1021/acs.organomet.6b00467","","","0.71073","MoKα","","0.0545","0.0397","","","0.0916","0.0983","","","","","","1.047","","","","has coordinates","186962","2020-10-21","18:00:00",""
"4086663","13.337","0.005","13.877","0.005","15.45","0.006","85.758","0.018","84.307","0.017","68.948","0.016","2653.2","1.7","101","2","101","2","","","","","","","","5","P -1","-P 1","2","","","","- C58 H64 B2 N10 Th -","- C58 H64 B2 N10 Th -","- C116 H128 B4 N20 Th2 -","2","1","","Garner, Mary E.; Hohloch, Stephan; Maron, Laurent; Arnold, John","A New Supporting Ligand in Actinide Chemistry Leads to Reactive Bis(NHC)borate-Supported Thorium Complexes","Organometallics","2016","35","17","2915","","10.1021/acs.organomet.6b00467","","","0.71073","MoKα","","0.0373","0.032","","","0.0745","0.0761","","","","","","1.022","","","","has coordinates","186962","2020-10-21","18:00:00",""
"4086664","12.199","0.0005","13.0652","0.0005","23.3043","0.0009","83.817","0.001","87.104","0.001","63.379","0.001","3301.2","0.2","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C75 H84 B2 N10 O2 Th -","- C75 H84 B2 N10 O2 Th -","- C150 H168 B4 N20 O4 Th2 -","2","1","","Garner, Mary E.; Hohloch, Stephan; Maron, Laurent; Arnold, John","A New Supporting Ligand in Actinide Chemistry Leads to Reactive Bis(NHC)borate-Supported Thorium Complexes","Organometallics","2016","35","17","2915","","10.1021/acs.organomet.6b00467","","","0.71073","MoKα","","0.0341","0.03","","","0.0696","0.0711","","","","","","1.117","","","","has coordinates","186962","2020-10-21","18:00:00",""
"4086665","12.6852","0.0004","22.5123","0.0007","21.9665","0.0007","90","","93.909","0.002","90","","6258.4","0.3","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C73 H74 B2 N10 O Th -","- C73 H74 B2 N10 O Th -","- C292 H296 B8 N40 O4 Th4 -","4","1","","Garner, Mary E.; Hohloch, Stephan; Maron, Laurent; Arnold, John","A New Supporting Ligand in Actinide Chemistry Leads to Reactive Bis(NHC)borate-Supported Thorium Complexes","Organometallics","2016","35","17","2915","","10.1021/acs.organomet.6b00467","","","0.71073","MoKα","","0.1395","0.0572","","","0.0958","0.1213","","","","","","1.003","","","","has coordinates","186962","2020-10-21","18:00:00",""
"4086666","13.38","0.003","20.417","0.005","24.323","0.006","82.638","0.005","77.738","0.006","70.971","0.004","6126","3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C65 H71 B2 N11 Th -","- C65 H71 B2 N11 Th -","- C260 H284 B8 N44 Th4 -","4","2","","Garner, Mary E.; Hohloch, Stephan; Maron, Laurent; Arnold, John","A New Supporting Ligand in Actinide Chemistry Leads to Reactive Bis(NHC)borate-Supported Thorium Complexes","Organometallics","2016","35","17","2915","","10.1021/acs.organomet.6b00467","","","0.71073","MoKα","","0.0983","0.0749","","","0.1846","0.1962","","","","","","1.02","","","","has coordinates","191972","2020-10-21","18:00:00",""
"4086667","9.4728","0.001","9.5535","0.0013","16.739","0.0014","90.435","0.01","90.748","0.01","95.455","0.012","1507.8","0.3","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H50 O Si2 Ti2 -","- C28 H50 O Si2 Ti2 -","- C56 H100 O2 Si4 Ti4 -","2","1","","González-Pérez, Juan I.; Martín, Avelino; Mena, Miguel; Santamaría, Cristina","C‒H Activation on an Oxo-Bridged Dititanium Complex: From Alkyl to μ-Alkylidene Functionalities","Organometallics","2016","35","15","2488","","10.1021/acs.organomet.6b00381","","x-ray","0.71073","MoKα","","0.0939","0.052","","","0.0921","0.1066","","","","","","1.1","","","","has coordinates","186230","2020-10-21","18:00:00",""
"4086668","10.1655","0.0015","19.5607","0.0018","15.401","0.002","90","","90.475","0.011","90","","3062.3","0.7","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C28 H50 O Si2 Ti2 -","- C28 H50 O Si2 Ti2 -","- C112 H200 O4 Si8 Ti8 -","4","1","","González-Pérez, Juan I.; Martín, Avelino; Mena, Miguel; Santamaría, Cristina","C‒H Activation on an Oxo-Bridged Dititanium Complex: From Alkyl to μ-Alkylidene Functionalities","Organometallics","2016","35","15","2488","","10.1021/acs.organomet.6b00381","","x-ray","0.71073","MoKα","","0.1183","0.0566","","","0.1101","0.139","","","","","","1.071","","","","has coordinates","186230","2020-10-21","18:00:00",""
"4086669","16.1779","0.0016","9.2899","0.0006","23.711","0.003","90","","92.67","0.008","90","","3559.7","0.6","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C33 H59 N O Si2 Ti2 -","- C33 H59 N O Si2 Ti2 -","- C132 H236 N4 O4 Si8 Ti8 -","4","1","","González-Pérez, Juan I.; Martín, Avelino; Mena, Miguel; Santamaría, Cristina","C‒H Activation on an Oxo-Bridged Dititanium Complex: From Alkyl to μ-Alkylidene Functionalities","Organometallics","2016","35","15","2488","","10.1021/acs.organomet.6b00381","","x-ray","0.71073","MoKα","","0.1071","0.0636","","","0.142","0.1701","","","","","","1.068","","","","has coordinates,has disorder","186230","2020-10-21","18:00:00",""
"4086670","10.9703","0.001","11.264","0.0017","18.925","0.004","86.695","0.014","78.181","0.012","63.879","0.011","2053.8","0.6","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C38 H68 N2 O Si2 Ti2 -","- C38 H68 N2 O Si2 Ti2 -","- C76 H136 N4 O2 Si4 Ti4 -","2","1","","González-Pérez, Juan I.; Martín, Avelino; Mena, Miguel; Santamaría, Cristina","C‒H Activation on an Oxo-Bridged Dititanium Complex: From Alkyl to μ-Alkylidene Functionalities","Organometallics","2016","35","15","2488","","10.1021/acs.organomet.6b00381","","x-ray","0.71073","MoKα","","0.1515","0.0684","","","0.1241","0.1567","","","","","","1.029","","","","has coordinates","186230","2020-10-21","18:00:00",""
"4086671","11.2659","0.0008","18.6424","0.0013","11.7104","0.0009","90","","94.445","0.001","90","","2452.1","0.3","140","2","140","2","","","","","","","","8","P 1 21 1","P 2yb","4","","","","- C54 H48 F3 Ir N O5 P S -","- C54 H48 F3 Ir N O5 P S -","- C108 H96 F6 Ir2 N2 O10 P2 S2 -","2","1","","Zhang, Xiao; Liu, Wen-Bo; Cheng, Qiang; You, Shu-Li","Iridium-Catalyzed Asymmetric Allylic Amination Reactions withN-Aryl Phosphoramidite Ligands","Organometallics","2016","35","15","2467","","10.1021/acs.organomet.6b00339","","","0.71073","MoKα","","0.0448","0.0401","","","0.111","0.114","","","","","","1.068","","","","has coordinates,has disorder","186231","2020-10-21","18:00:00",""
"4086672","9.1162","0.0002","13.3585","0.0003","15.0708","0.0004","90","","90","","90","","1835.3","0.08","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","CMP-1035-A","","","- C19 H27 Ir O2 S -","- C19 H27 Ir O2 S -","- C76 H108 Ir4 O8 S4 -","4","1","","Frasco, Daniel A.; Mukherjee, Sriparna; Sommer, Roger D.; Perry, Cody M.; Lambic, Nikola S.; Abboud, Khalil A.; Jakubikova, Elena; Ison, Elon A.","Nondirected C‒H Activation of Arenes with Cp*Ir(III) Acetate Complexes: An Experimental and Computational Study","Organometallics","2016","35","15","2435","","10.1021/acs.organomet.6b00308","","","0.71073","MoKα","","0.0278","0.0238","","","0.0481","0.0494","","","","","","1.032","","","","has coordinates","186232","2020-10-21","18:00:00",""
"4086673","8.7906","0.0002","9.2091","0.0002","11.8914","0.0003","83.178","0.001","83.27","0.001","74.448","0.001","917.17","0.04","100","2","100","2","","","","","","","","6","P -1","-P 1","2","CMP-1035-B","","","- C19 H26 Ir N O2 S -","- C19 H26 Ir N O2 S -","- C38 H52 Ir2 N2 O4 S2 -","2","1","","Frasco, Daniel A.; Mukherjee, Sriparna; Sommer, Roger D.; Perry, Cody M.; Lambic, Nikola S.; Abboud, Khalil A.; Jakubikova, Elena; Ison, Elon A.","Nondirected C‒H Activation of Arenes with Cp*Ir(III) Acetate Complexes: An Experimental and Computational Study","Organometallics","2016","35","15","2435","","10.1021/acs.organomet.6b00308","","","0.71073","MoKα","","0.0157","0.0142","","","0.0306","0.0309","","","","","","1.07","","","","has coordinates","186232","2020-10-21","18:00:00",""
"4086674","15.4301","0.0005","7.6155","0.0003","14.5741","0.0005","90","","114.059","0.001","90","","1563.79","0.1","110","2","110","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","DF5-23","","","- C14 H24 Cl2 Ir N O -","- C14 H24 Cl2 Ir N O -","- C56 H96 Cl8 Ir4 N4 O4 -","4","1","","Frasco, Daniel A.; Mukherjee, Sriparna; Sommer, Roger D.; Perry, Cody M.; Lambic, Nikola S.; Abboud, Khalil A.; Jakubikova, Elena; Ison, Elon A.","Nondirected C‒H Activation of Arenes with Cp*Ir(III) Acetate Complexes: An Experimental and Computational Study","Organometallics","2016","35","15","2435","","10.1021/acs.organomet.6b00308","","","0.71073","MoKα","","0.0204","0.017","","","0.0409","0.0424","","","","","","1.026","","","","has coordinates","186232","2020-10-21","18:00:00",""
"4086675","10.5978","0.0008","12.2299","0.0009","16.5354","0.0012","101.018","0.001","106.52","0.001","91.534","0.001","2009.3","0.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H29 Ir O3 S -","- C20 H29 Ir O3 S -","- C80 H116 Ir4 O12 S4 -","4","2","","Frasco, Daniel A.; Mukherjee, Sriparna; Sommer, Roger D.; Perry, Cody M.; Lambic, Nikola S.; Abboud, Khalil A.; Jakubikova, Elena; Ison, Elon A.","Nondirected C‒H Activation of Arenes with Cp*Ir(III) Acetate Complexes: An Experimental and Computational Study","Organometallics","2016","35","15","2435","","10.1021/acs.organomet.6b00308","","","0.71073","MoKα","","0.0252","0.022","","","0.0612","0.0624","","","","","","1.019","","","","has coordinates","186232","2020-10-21","18:00:00",""
"4086676","8.8769","0.0003","9.5555","0.0003","14.9869","0.0004","85.124","0.002","84.523","0.002","78.209","0.002","1235.93","0.07","110","2","110","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H39 Ir O5 S -","- C22 H39 Ir O5 S -","- C44 H78 Ir2 O10 S2 -","2","1","","Frasco, Daniel A.; Mukherjee, Sriparna; Sommer, Roger D.; Perry, Cody M.; Lambic, Nikola S.; Abboud, Khalil A.; Jakubikova, Elena; Ison, Elon A.","Nondirected C‒H Activation of Arenes with Cp*Ir(III) Acetate Complexes: An Experimental and Computational Study","Organometallics","2016","35","15","2435","","10.1021/acs.organomet.6b00308","","","0.71073","MoKα","","0.0165","0.0145","","","0.0315","0.0319","","","","","","1.062","","","","has coordinates,has disorder","186232","2020-10-21","18:00:00",""
"4086677","16.7872","0.0002","12.282","0.0002","13.9392","0.0002","90","","106.677","0.002","90","","2753.1","0.07","120","1","120","1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C27 H44 Cl Ge N2 Rh -","- C27 H44 Cl Ge N2 Rh -","- C108 H176 Cl4 Ge4 N8 Rh4 -","4","1","","Álvarez-Rodríguez, Lucía; Cabeza, Javier A.; Fernández-Colinas, José M.; García-Álvarez, Pablo; Polo, Diego","Amidinatogermylene Metal Complexes as Homogeneous Catalysts in Alcoholic Media","Organometallics","2016","35","15","2516","","10.1021/acs.organomet.6b00426","","","0.71073","MoKα","","0.0428","0.0305","","","0.0577","0.0626","","","","","","1.04","","","","has coordinates","186233","2020-10-21","18:00:00",""
"4086678","9.2077","0.0001","20.0025","0.0004","16.7333","0.0003","90","","90.978","0.001","90","","3081.44","0.09","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C29 H46 Cl2 Ge N2 Ru -","- C29 H46 Cl2 Ge N2 Ru -","- C116 H184 Cl8 Ge4 N8 Ru4 -","4","1","","Álvarez-Rodríguez, Lucía; Cabeza, Javier A.; Fernández-Colinas, José M.; García-Álvarez, Pablo; Polo, Diego","Amidinatogermylene Metal Complexes as Homogeneous Catalysts in Alcoholic Media","Organometallics","2016","35","15","2516","","10.1021/acs.organomet.6b00426","","","1.5418","CuKα","","0.0469","0.0426","","","0.1053","0.1084","","","","","","1.036","","","","has coordinates","186233","2020-10-21","18:00:00",""
"4086679","24.1428","0.0002","9.3753","0.0001","27.3016","0.0002","90","","95.134","0.001","90","","6154.82","0.1","155","2","155","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C29 H47 Cl2 Ge Ir N2 -","- C29 H47 Cl2 Ge Ir N2 -","- C232 H376 Cl16 Ge8 Ir8 N16 -","8","2","","Álvarez-Rodríguez, Lucía; Cabeza, Javier A.; Fernández-Colinas, José M.; García-Álvarez, Pablo; Polo, Diego","Amidinatogermylene Metal Complexes as Homogeneous Catalysts in Alcoholic Media","Organometallics","2016","35","15","2516","","10.1021/acs.organomet.6b00426","","","1.5418","CuKα","","0.0269","0.0244","","","0.0578","0.0593","","","","","","1.042","","","","has coordinates","190287","2020-10-21","18:00:00",""
"4086680","12.9012","0.0014","15.4777","0.0017","22.973","0.003","76.54","0.002","83.693","0.001","76.701","0.002","4333.9","0.9","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C24.23 H25.45 Cl1.45 N2 Os -","- C24.225 H25.45 Cl1.45 N2 Os -","- C193.8 H203.6 Cl11.6 N16 Os8 -","8","4","","Esteruelas, Miguel A.; Oñate, Enrique; Palacios, Adrián; Tsai, Jui-Yi; Xia, Chuanjun","Preparation of Capped Octahedral OsHC6Complexes by Sequential Carbon-Directed C‒H Bond Activation Reactions","Organometallics","2016","35","15","2532","","10.1021/acs.organomet.6b00436","","","0.71073","MoKα","","0.0378","0.0298","","","0.0695","0.0725","","","","","","1.014","","","","has coordinates,has disorder","186234","2020-10-21","18:00:00",""
"4086681","8.7097","0.0004","13.2661","0.0007","13.7956","0.0007","69.446","0.001","80.397","0.001","78.817","0.001","1455.7","0.13","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C24 H25 Cl2 F3 N6 O3 Os S -","- C24 H25 Cl2 F3 N6 O3 Os S -","- C48 H50 Cl4 F6 N12 O6 Os2 S2 -","2","1","","Esteruelas, Miguel A.; Oñate, Enrique; Palacios, Adrián; Tsai, Jui-Yi; Xia, Chuanjun","Preparation of Capped Octahedral OsHC6Complexes by Sequential Carbon-Directed C‒H Bond Activation Reactions","Organometallics","2016","35","15","2532","","10.1021/acs.organomet.6b00436","","","0.71073","MoKα","","0.0258","0.0232","","","0.0562","0.0583","","","","","","1.006","","","","has coordinates,has disorder","186234","2020-10-21","18:00:00",""
"4086682","12.3099","0.0014","14.2086","0.0016","21.27","0.002","73.721","0.002","83.081","0.002","76.522","0.002","3466.7","0.6","153","2","153","2","","","","","","","","7","P -1","-P 1","2","","","","- C35 H32 F3 N7 O3 Os S -","- C35 H32 F3 N7 O3 Os S -","- C140 H128 F12 N28 O12 Os4 S4 -","4","2","","Esteruelas, Miguel A.; Oñate, Enrique; Palacios, Adrián; Tsai, Jui-Yi; Xia, Chuanjun","Preparation of Capped Octahedral OsHC6Complexes by Sequential Carbon-Directed C‒H Bond Activation Reactions","Organometallics","2016","35","15","2532","","10.1021/acs.organomet.6b00436","","","0.71073","MoKα","","0.1158","0.0605","","","0.1129","0.1299","","","","","","1.028","","","","has coordinates,has disorder","186234","2020-10-21","18:00:00",""
"4086683","11.0513","0.0012","19.438","0.002","16.4337","0.0018","90","","97.889","0.002","90","","3496.8","0.6","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C44 H37 N7 Os -","- C44 H37 N7 Os -","- C176 H148 N28 Os4 -","4","1","","Esteruelas, Miguel A.; Oñate, Enrique; Palacios, Adrián; Tsai, Jui-Yi; Xia, Chuanjun","Preparation of Capped Octahedral OsHC6Complexes by Sequential Carbon-Directed C‒H Bond Activation Reactions","Organometallics","2016","35","15","2532","","10.1021/acs.organomet.6b00436","","","0.71073","MoKα","","0.0423","0.0283","","","0.0595","0.0642","","","","","","1.023","","","","has coordinates","186234","2020-10-21","18:00:00",""
"4086684","11.4222","0.0017","13.761","0.002","26.609","0.004","90","","100.522","0.002","90","","4112.1","1.1","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","L2Zn3","","","- C43 H46 Cl2 N6 O2 Zn3 -","- C43 H46 Cl2 N6 O2 Zn3 -","- C172 H184 Cl8 N24 O8 Zn12 -","4","1","","Smith, Abigail J.; Kalkman, Eric D.; Gilbert, Zachary W.; Tonks, Ian A.","ZnCl2Capture Promotes Ethylene Polymerization by a Salicylaldiminato Ni Complex Bearing a Pendent 2,2′-Bipyridine Group","Organometallics","2016","35","15","2429","","10.1021/acs.organomet.6b00485","","","0.71073","MoKα","","0.0433","0.0334","","","0.0728","0.0784","","","","","","1.083","","","","has coordinates","186235","2020-10-21","18:00:00",""
"4086685","9.3954","0.0011","13.4704","0.0016","19.244","0.002","86.949","0.002","84.767","0.002","80.539","0.002","2390.6","0.5","296","2","296","2","","","","","","","","7","P -1","-P 1","2","NiZnCl2TolylPyBipy","","","- C44 H47 Cl2 N5 Ni O4 Zn -","- C44 H47 Cl2 N5 Ni O4 Zn -","- C88 H94 Cl4 N10 Ni2 O8 Zn2 -","2","1","","Smith, Abigail J.; Kalkman, Eric D.; Gilbert, Zachary W.; Tonks, Ian A.","ZnCl2Capture Promotes Ethylene Polymerization by a Salicylaldiminato Ni Complex Bearing a Pendent 2,2′-Bipyridine Group","Organometallics","2016","35","15","2429","","10.1021/acs.organomet.6b00485","","","0.71073","MoKα","","0.0521","0.0367","","","0.1006","0.1063","","","","","","1.069","","","","has coordinates","186235","2020-10-21","18:00:00",""
"4086686","11.9581","0.0013","12.6258","0.0014","14.9802","0.0017","66.383","0.002","67.701","0.002","73.736","0.002","1895.3","0.4","123","2","123","2","","","","","","","","5","P -1","-P 1","2","NiTolylPy","","","- C48 H37 N5 Ni O -","- C48 H37 N5 Ni O -","- C96 H74 N10 Ni2 O2 -","2","1","","Smith, Abigail J.; Kalkman, Eric D.; Gilbert, Zachary W.; Tonks, Ian A.","ZnCl2Capture Promotes Ethylene Polymerization by a Salicylaldiminato Ni Complex Bearing a Pendent 2,2′-Bipyridine Group","Organometallics","2016","35","15","2429","","10.1021/acs.organomet.6b00485","","","1.54178","CuKα","","0.0549","0.0533","","","0.1368","0.1383","","","","","","1.02","","","","has coordinates","186235","2020-10-21","18:00:00",""
"4086687","8.14","0.002","14.598","0.004","24.941","0.006","90","","95.609","0.004","90","","2949.5","1.3","93","","93","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C33 H43 B2 N O2 -","- C33 H43 B2 N O2 -","- C132 H172 B8 N4 O8 -","4","1","","Katsuma, Yuhei; Asakawa, Hiroki; Lee, Ka-Ho; Lin, Zhenyang; Yamashita, Makoto","Ring Contraction of a Pinacolatoboryl Group To Form a 1,2-Oxaboretane Ring: Reaction of Unsymmetrical Diborane(4) with 2,6-Dimethylphenyl Isocyanide","Organometallics","2016","35","15","2563","","10.1021/acs.organomet.6b00468","","","0.71075","MoKα","","0.0812","0.0662","","","0.1466","0.1599","","","","","","1.199","","","","has coordinates","186236","2020-10-21","18:00:00",""
"4086688","14.737","0.005","15.93","0.005","33.154","0.012","90","","95.62","0.006","90","","7746","5","93","","93","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C42 H52 B2 N2 O2 -","- C42 H52 B2 N2 O2 -","- C336 H416 B16 N16 O16 -","8","1","","Katsuma, Yuhei; Asakawa, Hiroki; Lee, Ka-Ho; Lin, Zhenyang; Yamashita, Makoto","Ring Contraction of a Pinacolatoboryl Group To Form a 1,2-Oxaboretane Ring: Reaction of Unsymmetrical Diborane(4) with 2,6-Dimethylphenyl Isocyanide","Organometallics","2016","35","15","2563","","10.1021/acs.organomet.6b00468","","","0.71075","MoKα","","0.093","0.0726","","","0.1809","0.2","","","","","","1.082","","","","has coordinates","186236","2020-10-21","18:00:00",""
"4086689","18.735","0.007","11.582","0.004","19.384","0.007","90","","92.232","0.004","90","","4203","3","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C49 H59 Co Fe N2 O2 -","- C49 H59 Co Fe N2 O2 -","- C196 H236 Co4 Fe4 N8 O8 -","4","1","","Shepard, Scott M.; Diaconescu, Paula L.","Redox-Switchable Hydroelementation of a Cobalt Complex Supported by a Ferrocene-Based Ligand","Organometallics","2016","35","15","2446","","10.1021/acs.organomet.6b00317","","","0.71073","MoKα","","0.1073","0.0576","","","0.1284","0.1483","","","","","","0.919","","","","has coordinates","186237","2020-10-21","18:00:00",""
"4086690","30.098","0.002","30.098","0.002","18.8104","0.0015","90","","90","","90","","17040","2","100","2","100","2","","","","","","","","6","I 41/a :2","-I 4ad","88","","","","- C160 H200 Co4 Fe4 N8 O8 -","- C160 H200 Co4 Fe4 N8 O8 -","- C640 H800 Co16 Fe16 N32 O32 -","4","0.25","","Shepard, Scott M.; Diaconescu, Paula L.","Redox-Switchable Hydroelementation of a Cobalt Complex Supported by a Ferrocene-Based Ligand","Organometallics","2016","35","15","2446","","10.1021/acs.organomet.6b00317","","","0.71073","MoKα","","0.0726","0.0459","","","0.1183","0.1269","","","","","","1.103","","","","has coordinates","186237","2020-10-21","18:00:00",""
"4086691","12.6844","0.0008","15.1762","0.0009","22.9468","0.0014","93.889","0.001","103.455","0.001","94.369","0.001","4266.9","0.5","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C186 H163 B2 Co2 F48 Fe2 N4 O4 -","- C186 H163 B2 Co2 F48 Fe2 N4 O4 -","- C186 H163 B2 Co2 F48 Fe2 N4 O4 -","1","0.5","","Shepard, Scott M.; Diaconescu, Paula L.","Redox-Switchable Hydroelementation of a Cobalt Complex Supported by a Ferrocene-Based Ligand","Organometallics","2016","35","15","2446","","10.1021/acs.organomet.6b00317","","","0.71073","MoKα","","0.0641","0.055","","","0.1464","0.1548","","","","","","1.059","","","","has coordinates,has disorder","186237","2020-10-21","18:00:00",""
"4086692","30.138","0.002","30.138","0.002","18.8213","0.0015","90","","90","","90","","17095","2","100","2","100","2","","","","","","","","6","I 41/a :2","-I 4ad","88","","","","- C160 H200 Fe4 N8 O8 Zn4 -","- C160 H200 Fe4 N8 O8 Zn4 -","- C640 H800 Fe16 N32 O32 Zn16 -","4","0.25","","Shepard, Scott M.; Diaconescu, Paula L.","Redox-Switchable Hydroelementation of a Cobalt Complex Supported by a Ferrocene-Based Ligand","Organometallics","2016","35","15","2446","","10.1021/acs.organomet.6b00317","","","0.71073","MoKα","","0.0358","0.0305","","","0.095","0.0975","","","","","","1.178","","","","has coordinates","186237","2020-10-21","18:00:00",""
"4086693","23.1071","0.0006","12.2839","0.0004","8.1899","0.0002","90","","90","","90","","2324.66","0.11","120","","120","","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C24 H33 In N2 -","- C24 H33 In N2 -","- C96 H132 In4 N8 -","4","0.5","","Cybularczyk, Martyna; Dranka, Maciej; Zachara, Janusz; Horeglad, Paweł","Effect of In‒CNHCBonds on the Synthesis, Structure, and Reactivity of Dialkylindium Alkoxides: How Indium Compares to Gallium","Organometallics","2016","35","19","3311","","10.1021/acs.organomet.6b00510","","x-ray","0.71073","MoKα","","0.0237","0.0209","","","0.0491","0.0504","","","","","","1.065","","","","has coordinates,has disorder","187944","2020-10-21","18:00:00",""
"4086694","10.6283","0.0004","16.2319","0.0008","19.9904","0.001","73.337","0.004","87.66","0.003","82.369","0.003","3274.6","0.3","120","","120","","","","","","","","","5","P -1","-P 1","2","","","","- C37 H43 In N2 O -","- C37 H43 In N2 O -","- C148 H172 In4 N8 O4 -","4","2","","Cybularczyk, Martyna; Dranka, Maciej; Zachara, Janusz; Horeglad, Paweł","Effect of In‒CNHCBonds on the Synthesis, Structure, and Reactivity of Dialkylindium Alkoxides: How Indium Compares to Gallium","Organometallics","2016","35","19","3311","","10.1021/acs.organomet.6b00510","","x-ray","0.71073","MoKα","","0.0847","0.0761","","","0.2188","0.2242","","","","","","1.108","","","","has coordinates","187944","2020-10-21","18:00:00",""
"4086695","17.8204","0.0007","16.5297","0.0007","16.2443","0.0008","90","","90","","90","","4785","0.4","120","","120","","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C24 H35 In N2 -","- C24 H35 In N2 -","- C192 H280 In8 N16 -","8","2","","Cybularczyk, Martyna; Dranka, Maciej; Zachara, Janusz; Horeglad, Paweł","Effect of In‒CNHCBonds on the Synthesis, Structure, and Reactivity of Dialkylindium Alkoxides: How Indium Compares to Gallium","Organometallics","2016","35","19","3311","","10.1021/acs.organomet.6b00510","","x-ray","0.71073","MoKα","","0.0534","0.0375","","","0.0724","0.0814","","","","","","1.049","","","","has coordinates","187944","2020-10-21","18:00:00",""
"4086696","22.7104","0.0009","8.0978","0.0003","13.154","0.0005","90","","90","","90","","2419.08","0.16","293.15","","293.15","","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C24 H35 In N2 O -","- C24 H35 In N2 O -","- C96 H140 In4 N8 O4 -","4","1","","Cybularczyk, Martyna; Dranka, Maciej; Zachara, Janusz; Horeglad, Paweł","Effect of In‒CNHCBonds on the Synthesis, Structure, and Reactivity of Dialkylindium Alkoxides: How Indium Compares to Gallium","Organometallics","2016","35","19","3311","","10.1021/acs.organomet.6b00510","","x-ray","0.71073","MoKα","","0.0481","0.0389","","","0.082","0.0856","","","","","","1.12","","","","has coordinates","187944","2020-10-21","18:00:00",""
"4086697","11.8169","0.0004","15.126","0.0004","16.9399","0.0005","90","","102.529","0.003","90","","2955.77","0.16","120","2","120","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C32 H38 In2 O2 -","- C32 H38 In2 O2 -","- C128 H152 In8 O8 -","4","1","","Cybularczyk, Martyna; Dranka, Maciej; Zachara, Janusz; Horeglad, Paweł","Effect of In‒CNHCBonds on the Synthesis, Structure, and Reactivity of Dialkylindium Alkoxides: How Indium Compares to Gallium","Organometallics","2016","35","19","3311","","10.1021/acs.organomet.6b00510","","x-ray","0.71073","MoKα","","0.0329","0.0253","","","0.0517","0.055","","","","","","1.047","","","","has coordinates","187944","2020-10-21","18:00:00",""
"4086698","10.5245","0.0009","16.059","0.002","19.983","0.003","74.295","0.011","87.362","0.009","81.497","0.009","3215.5","0.7","120","","120","","","","","","","","","5","P -1","-P 1","2","","","","- C37 H43 Ga N2 O -","- C37 H43 Ga N2 O -","- C148 H172 Ga4 N8 O4 -","4","2","","Cybularczyk, Martyna; Dranka, Maciej; Zachara, Janusz; Horeglad, Paweł","Effect of In‒CNHCBonds on the Synthesis, Structure, and Reactivity of Dialkylindium Alkoxides: How Indium Compares to Gallium","Organometallics","2016","35","19","3311","","10.1021/acs.organomet.6b00510","","x-ray","0.71073","MoKα","","0.0666","0.0478","","","0.1337","0.1401","","","","","","0.992","","","","has coordinates","187944","2020-10-21","18:00:00",""
"4086699","17.574","0.0009","6.6713","0.0004","18.4915","0.0007","90","","96.93","0.006","90","","2152.13","0.19","291","2","291.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C25 H13 O5 P W -","- C25 H13 O5 P W -","- C100 H52 O20 P4 W4 -","4","1","","Zhao, Xu; Lu, Zongming; Wang, Qiuyan; Wei, Donghui; Lu, Yunpeng; Duan, Zheng; Mathey, Francois","Blocking Intramolecular Cycloadditions between C≡C Triple Bonds and Electrophilic Phosphinidene Complexes: Generation of Intermediates Able To React with Arenes","Organometallics","2016","35","20","3440","","10.1021/acs.organomet.6b00642","","","0.71073","MoKα","","0.0409","0.0296","","","0.0539","0.0578","","","","","","1.057","","","","has coordinates","187943","2020-10-21","18:00:00",""
"4086700","7.7996","0.0003","12.564","0.0007","24.7311","0.0012","90","","98.753","0.004","90","","2395.3","0.2","291","2","291.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H17 O5 P W -","- C26 H17 O5 P W -","- C104 H68 O20 P4 W4 -","4","1","","Zhao, Xu; Lu, Zongming; Wang, Qiuyan; Wei, Donghui; Lu, Yunpeng; Duan, Zheng; Mathey, Francois","Blocking Intramolecular Cycloadditions between C≡C Triple Bonds and Electrophilic Phosphinidene Complexes: Generation of Intermediates Able To React with Arenes","Organometallics","2016","35","20","3440","","10.1021/acs.organomet.6b00642","","","0.71073","MoKα","","0.0355","0.0276","","","0.0565","0.059","","","","","","1.098","","","","has coordinates","187943","2020-10-21","18:00:00",""
"4086701","11.1538","0.0004","18.6855","0.0007","20.8179","0.0007","89.264","0.002","88.812","0.002","86.356","0.002","4328.8","0.3","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C92 H104 O19 Rb4 -","- C92 H104 O19 Rb4 -","- C184 H208 O38 Rb8 -","2","1","","Spisak, Sarah N.; Li, Jingbai; Rogachev, Andrey Yu.; Wei, Zheng; Papaianina, Olena; Amsharov, Konstantin; Rybalchenko, Alexey V.; Goryunkov, Alexey A.; Petrukhina, Marina A.","From Corannulene to Indacenopicene: Effect of Carbon Framework Topology on Aromaticity and Reduction Limits","Organometallics","2016","35","18","3105","","10.1021/acs.organomet.6b00395","","","1.54178","CuKα","","0.0839","0.0598","","","0.1336","0.1452","","","","","","1.05","","","","has coordinates,has disorder","186934","2020-10-21","18:00:00",""
"4086702","11.041","0.0005","11.602","0.0005","16.6071","0.0007","92.756","0.002","106.607","0.002","112.989","0.002","1845.68","0.15","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C42 H44 Cs2 O7 -","- C42 H44 Cs2 O7 -","- C84 H88 Cs4 O14 -","2","1","","Spisak, Sarah N.; Li, Jingbai; Rogachev, Andrey Yu.; Wei, Zheng; Papaianina, Olena; Amsharov, Konstantin; Rybalchenko, Alexey V.; Goryunkov, Alexey A.; Petrukhina, Marina A.","From Corannulene to Indacenopicene: Effect of Carbon Framework Topology on Aromaticity and Reduction Limits","Organometallics","2016","35","18","3105","","10.1021/acs.organomet.6b00395","","","1.54178","CuKα","","0.0727","0.0588","","","0.1472","0.1557","","","","","","1.055","","","","has coordinates,has disorder","186934","2020-10-21","18:00:00",""
"4086703","8.8038","0.0003","19.4899","0.0006","12.0669","0.0004","90","","102.539","0.003","90","","2021.12","0.12","294.39","0.1","294.39","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C16 H33 O4 P Rh -","- C16 H33 O4 P Rh -","- C64 H132 O16 P4 Rh4 -","4","1","","Tan, Jiantao; Kuang, Yi; Wang, Yi; Huang, Qingfei; Zhu, Jin; Wang, Yuanhua","Axial Tri-tert-butylphosphane Coordination to Rh2(OAc)4: Synthesis, Structure, and Catalytic Studies","Organometallics","2016","35","18","3139","","10.1021/acs.organomet.6b00477","","x-ray","1.54184","CuKα","","0.0696","0.065","","","0.1863","0.1938","","","","","","1.042","","","","has coordinates","186935","2020-10-21","18:00:00",""
"4086704","11.3382","0.0003","14.2991","0.0004","16.3895","0.0007","68.778","0.003","79.737","0.003","83.183","0.002","2433.08","0.15","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C44 H78 O8 P2 Rh2 -","- C44 H78 O8 P2 Rh2 -","- C88 H156 O16 P4 Rh4 -","2","1","","Tan, Jiantao; Kuang, Yi; Wang, Yi; Huang, Qingfei; Zhu, Jin; Wang, Yuanhua","Axial Tri-tert-butylphosphane Coordination to Rh2(OAc)4: Synthesis, Structure, and Catalytic Studies","Organometallics","2016","35","18","3139","","10.1021/acs.organomet.6b00477","","x-ray","1.54184","CuKα","","0.0481","0.043","","","0.1146","0.1225","","","","","","1.043","","","","has coordinates","186935","2020-10-21","18:00:00",""
"4086705","20.0703","0.0002","20.0703","0.0002","13.4408","0.0003","90","","90","","90","","5414.18","0.14","298","2","298","2","","","","","","","","6","P 41 21 2","P 4abw 2nw","92","","","","- C49 H40 F6 N6 O4 Pd2 -","- C56 H32 F6 N6 O4 Pd2 -","- C224 H128 F24 N24 O16 Pd8 -","4","0.5","","Agarwal, Pallavi; Thirupathi, Natesan; Nethaji, Munirathinam","Syntheses, Structural Aspects, Solution Behavior, and Catalytic Utility of CyclopalladatedN,N′,N″-Triarylguanidines [κ2(C,N))Pd(Pyrazole)2X] (X = Br, OC(O)CF3, and PF6) in Suzuki‒Miyaura Coupling Reactions of Aryl Bromides","Organometallics","2016","35","18","3112","","10.1021/acs.organomet.6b00442","","","0.71073","MoKα","","0.0574","0.0521","","","0.1247","0.1278","","","","","","1.128","","","","has coordinates","186936","2020-10-21","18:00:00",""
"4086706","17.5864","0.0004","10.3052","0.0003","18.2393","0.0005","90","","99.836","0.003","90","","3256.94","0.15","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C32 H38 Br N7 Pd -","- C32 H34 Br N7 Pd -","- C128 H136 Br4 N28 Pd4 -","4","1","","Agarwal, Pallavi; Thirupathi, Natesan; Nethaji, Munirathinam","Syntheses, Structural Aspects, Solution Behavior, and Catalytic Utility of CyclopalladatedN,N′,N″-Triarylguanidines [κ2(C,N))Pd(Pyrazole)2X] (X = Br, OC(O)CF3, and PF6) in Suzuki‒Miyaura Coupling Reactions of Aryl Bromides","Organometallics","2016","35","18","3112","","10.1021/acs.organomet.6b00442","","","0.71073","MoKα","","0.0515","0.0396","","","0.1035","0.112","","","","","","0.918","","","","has coordinates","186936","2020-10-21","18:00:00",""
"4086707","13.2622","0.0009","19.4582","0.001","13.7721","0.0008","90","","97.212","0.007","90","","3525.9","0.4","298","2","298","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C34 H38 F3 N7 O2 Pd -","- C34 H38 F3 N7 O2 Pd -","- C136 H152 F12 N28 O8 Pd4 -","4","1","","Agarwal, Pallavi; Thirupathi, Natesan; Nethaji, Munirathinam","Syntheses, Structural Aspects, Solution Behavior, and Catalytic Utility of CyclopalladatedN,N′,N″-Triarylguanidines [κ2(C,N))Pd(Pyrazole)2X] (X = Br, OC(O)CF3, and PF6) in Suzuki‒Miyaura Coupling Reactions of Aryl Bromides","Organometallics","2016","35","18","3112","","10.1021/acs.organomet.6b00442","","","0.71073","MoKα","","0.078","0.0676","","","0.217","0.2394","","","","","","1","","","","has coordinates","186936","2020-10-21","18:00:00",""
"4086708","13.7133","0.0009","22.137","0.003","24.341","0.002","90","","90","","90","","7389.2","1.3","298","2","298","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C34 H38 F3 N7 O5 Pd -","- C34 H38 F3 N7 O5 Pd -","- C272 H304 F24 N56 O40 Pd8 -","8","1","","Agarwal, Pallavi; Thirupathi, Natesan; Nethaji, Munirathinam","Syntheses, Structural Aspects, Solution Behavior, and Catalytic Utility of CyclopalladatedN,N′,N″-Triarylguanidines [κ2(C,N))Pd(Pyrazole)2X] (X = Br, OC(O)CF3, and PF6) in Suzuki‒Miyaura Coupling Reactions of Aryl Bromides","Organometallics","2016","35","18","3112","","10.1021/acs.organomet.6b00442","","","0.71073","MoKα","","0.0884","0.0642","","","0.1383","0.15","","","","","","1.099","","","","has coordinates","186936","2020-10-21","18:00:00",""
"4086709","12.996","0.0015","19.6317","0.0014","13.8257","0.001","90","","93.959","0.009","90","","3519","0.5","298","2","298","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C32 H38 F6 N7 P Pd -","- C32 H38 F6 N7 P Pd -","- C128 H152 F24 N28 P4 Pd4 -","4","1","","Agarwal, Pallavi; Thirupathi, Natesan; Nethaji, Munirathinam","Syntheses, Structural Aspects, Solution Behavior, and Catalytic Utility of CyclopalladatedN,N′,N″-Triarylguanidines [κ2(C,N))Pd(Pyrazole)2X] (X = Br, OC(O)CF3, and PF6) in Suzuki‒Miyaura Coupling Reactions of Aryl Bromides","Organometallics","2016","35","18","3112","","10.1021/acs.organomet.6b00442","","","0.71073","MoKα","","0.1112","0.089","","","0.1902","0.201","","","","","","1.202","","","","has coordinates","186936","2020-10-21","18:00:00",""
"4086710","10.0219","0.0004","12.0236","0.0005","16.5337","0.0006","90","","91.5628","0.0005","90","","1991.56","0.14","193","2","193","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C43 H63 Cl Fe Ni P2 -","- C43 H63 Cl Fe Ni P2 -","- C86 H126 Cl2 Fe2 Ni2 P4 -","2","1","","Clark, Jillian S. K.; Lavoie, Christopher M.; MacQueen, Preston M.; Ferguson, Michael J.; Stradiotto, Mark","A Comparative Reactivity Survey of Some Prominent Bisphosphine Nickel(II) Precatalysts in C‒N Cross-Coupling","Organometallics","2016","35","18","3248","","10.1021/acs.organomet.6b00650","","","0.71073","MoKα","","0.0378","0.032","","","0.0682","0.0712","","","","","","1.007","","","","has coordinates","186937","2020-10-21","18:00:00",""
"4086711","14.864","0.005","13.125","0.004","15.573","0.005","90","","117.983","0.006","90","","2682.9","1.5","100","0.5","100","0.5","","","","","","","","6","P 1 21/n 1","-P 2yn","14","jonrcr01","(tBu-PONOP)Mo(CO)3","","- C24 H39 Mo N O5 P2 -","- C24 H39 Mo N O5 P2 -","- C96 H156 Mo4 N4 O20 P8 -","4","1","","Castro-Rodrigo, Ruth; Chakraborty, Sumit; Munjanja, Lloyd; Brennessel, William W.; Jones, William D.","Synthesis, Characterization, and Reactivities of Molybdenum and Tungsten PONOP Pincer Complexes","Organometallics","2016","35","18","3124","","10.1021/acs.organomet.6b00461","","","0.71073","MoKα","","0.045","0.0309","","","0.0716","0.0798","","","","","","1.004","","","","has coordinates","186938","2020-10-21","18:00:00",""
"4086712","12.482","0.003","10.474","0.003","19.45","0.005","90","","108.701","0.004","90","","2408.6","1.1","100","0.5","100","0.5","","","","","","","","6","P 1 21/n 1","-P 2yn","14","jonlm13","(iPr-PONOP)Mo(CO)3","","- C20 H31 Mo N O5 P2 -","- C20 H31 Mo N O5 P2 -","- C80 H124 Mo4 N4 O20 P8 -","4","1","","Castro-Rodrigo, Ruth; Chakraborty, Sumit; Munjanja, Lloyd; Brennessel, William W.; Jones, William D.","Synthesis, Characterization, and Reactivities of Molybdenum and Tungsten PONOP Pincer Complexes","Organometallics","2016","35","18","3124","","10.1021/acs.organomet.6b00461","","","0.71073","MoKα","","0.098","0.058","","","0.1127","0.1263","","","","","","1.076","","","","has coordinates","186938","2020-10-21","18:00:00",""
"4086713","14.8572","0.0016","13.1404","0.0014","15.5556","0.0016","90","","117.827","0.0019","90","","2685.7","0.5","100","0.5","100","0.5","","","","","","","","6","P 1 21/n 1","-P 2yn","14","jonsc14","(tBu-PONOP)W(CO)3","","- C24 H39 N O5 P2 W -","- C24 H39 N O5 P2 W -","- C96 H156 N4 O20 P8 W4 -","4","1","","Castro-Rodrigo, Ruth; Chakraborty, Sumit; Munjanja, Lloyd; Brennessel, William W.; Jones, William D.","Synthesis, Characterization, and Reactivities of Molybdenum and Tungsten PONOP Pincer Complexes","Organometallics","2016","35","18","3124","","10.1021/acs.organomet.6b00461","","","0.71073","MoKα","","0.0303","0.0245","","","0.0555","0.0574","","","","","","1.088","","","","has coordinates,has disorder","186938","2020-10-21","18:00:00",""
"4086714","10.7399","0.0019","11.323","0.002","19.424","0.004","90","","90","","90","","2362.1","0.8","100","0.5","100","0.5","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","jonlm21","(iPr-PONOP)W(CO)3","","- C20 H31 N O5 P2 W -","- C20 H31 N O5 P2 W -","- C80 H124 N4 O20 P8 W4 -","4","1","","Castro-Rodrigo, Ruth; Chakraborty, Sumit; Munjanja, Lloyd; Brennessel, William W.; Jones, William D.","Synthesis, Characterization, and Reactivities of Molybdenum and Tungsten PONOP Pincer Complexes","Organometallics","2016","35","18","3124","","10.1021/acs.organomet.6b00461","","","0.71073","MoKα","","0.0187","0.0172","","","0.036","0.0363","","","","","","1.079","","","","has coordinates","186938","2020-10-21","18:00:00",""
"4086715","11.9127","0.0008","16.8191","0.0012","24.7833","0.0019","97.802","0.003","103.322","0.002","108.622","0.002","4459.5","0.6","93","2","93","2","","","","","","","","6","P -1","-P 1","2","","","","- C43.75 H74 Ni O0.5 P2 Si2 -","- C43.75 H74 Ni O0.5 P2 Si2 -","- C175 H296 Ni4 O2 P8 Si8 -","4","2","","Charboneau, David J.; Balcells, David; Hazari, Nilay; Lant, Hannah M. C.; Mayer, James M.; Melvin, Patrick R.; Mercado, Brandon Q.; Morris, Wesley D.; Repisky, Michal; Suh, Hee-Won","Dinitrogen-Facilitated Reversible Formation of a Si‒H Bond in a Pincer-Supported Ni Complex","Organometallics","2016","35","18","3154","","10.1021/acs.organomet.6b00514","","","1.54178","CuKα","","0.1045","0.0576","","","0.1297","0.1517","","","","","","1.011","","","","has coordinates,has disorder","186939","2020-10-21","18:00:00",""
"4086716","35.107","0.003","14.1275","0.0002","40.221","0.005","90","","104.697","0.008","90","","19296","3","93","2","93","2","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C74 H112 N2 Ni2 P4 Si2 -","- C74 H112 N2 Ni2 P4 Si2 -","- C592 H896 N16 Ni16 P32 Si16 -","8","1","","Charboneau, David J.; Balcells, David; Hazari, Nilay; Lant, Hannah M. C.; Mayer, James M.; Melvin, Patrick R.; Mercado, Brandon Q.; Morris, Wesley D.; Repisky, Michal; Suh, Hee-Won","Dinitrogen-Facilitated Reversible Formation of a Si‒H Bond in a Pincer-Supported Ni Complex","Organometallics","2016","35","18","3154","","10.1021/acs.organomet.6b00514","","","1.54187","CuKα","","0.0835","0.0607","","","0.1513","0.1582","","","","","","1.047","","","","has coordinates","186939","2020-10-21","18:00:00",""
"4086717","13.1646","0.0009","14.958","0.0013","19.3421","0.0017","90","","109.026","0.01","90","","3600.7","0.6","93","2","93","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C38 H56 Ni O P2 Si -","- C38 H56 Ni O P2 Si -","- C152 H224 Ni4 O4 P8 Si4 -","4","1","","Charboneau, David J.; Balcells, David; Hazari, Nilay; Lant, Hannah M. C.; Mayer, James M.; Melvin, Patrick R.; Mercado, Brandon Q.; Morris, Wesley D.; Repisky, Michal; Suh, Hee-Won","Dinitrogen-Facilitated Reversible Formation of a Si‒H Bond in a Pincer-Supported Ni Complex","Organometallics","2016","35","18","3154","","10.1021/acs.organomet.6b00514","","","0.71075","MoKα","","0.0886","0.0641","","","0.1347","0.1441","","","","","","1.145","","","","has coordinates","186939","2020-10-21","18:00:00",""
"4086718","8.981","0.0006","23.5907","0.0017","19.3512","0.0014","90","","98.582","0.001","90","","4054","0.5","93","2","93","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C38 H56 Ni O P2 Si -","- C38 H56 Ni O P2 Si -","- C152 H224 Ni4 O4 P8 Si4 -","4","1","","Charboneau, David J.; Balcells, David; Hazari, Nilay; Lant, Hannah M. C.; Mayer, James M.; Melvin, Patrick R.; Mercado, Brandon Q.; Morris, Wesley D.; Repisky, Michal; Suh, Hee-Won","Dinitrogen-Facilitated Reversible Formation of a Si‒H Bond in a Pincer-Supported Ni Complex","Organometallics","2016","35","18","3154","","10.1021/acs.organomet.6b00514","","","0.71073","MoKα","","0.0439","0.0296","","","0.0746","0.079","","","","","","1.015","","","","has coordinates","186939","2020-10-21","18:00:00",""
"4086719","11.1594","0.0003","18.4601","0.0005","32.6848","0.001","90","","90","","90","","6733.2","0.3","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C42 H60 N6 O5 S5 Sn4 -","- C42 H60 N6 O5 S5 Sn4 -","- C168 H240 N24 O20 S20 Sn16 -","4","1","","Rinn, Niklas; Berndt, Jan-Philipp; Kreher, Annikka; Hrdina, Radim; Reinmuth, Matthias; Schreiner, Peter R.; Dehnen, Stefanie","Peptide-Functionalized Organotin Sulfide Clusters","Organometallics","2016","35","18","3215","","10.1021/acs.organomet.6b00561","","","0.71073","MoKα","","0.1004","0.0611","","","0.1316","0.1483","","","","","","0.901","","","","has coordinates","186940","2020-10-21","18:00:00",""
"4086720","9.434","0.0002","10.4154","0.0003","16.3142","0.0005","92.057","0.003","96.839","0.002","101.301","0.002","1557.86","0.07","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C32 H27 Cl N3 O6 Re -","- C32 H27 Cl N3 O6 Re -","- C64 H54 Cl2 N6 O12 Re2 -","2","1","","Slootweg, Jack C.; Albada, H. Bauke; Siegmund, Daniel; Metzler-Nolte, Nils","Efficient Reagent-Saving Method for the N-Terminal Labeling of Bioactive Peptides with Organometallic Carboxylic Acids by Solid-Phase Synthesis","Organometallics","2016","35","18","3192","","10.1021/acs.organomet.6b00544","","","0.71073","MoKα","","0.0356","0.0272","","","0.0598","0.0623","","","","","","1.015","","","","has coordinates","186941","2020-10-21","18:00:00",""
"4086721","16.136","0.009","12.187","0.007","15.831","0.007","90","","90.942","0.015","90","","3113","3","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C35 H49 Mg N3 -","- C35 H49 Mg N3 -","- C140 H196 Mg4 N12 -","4","1","","Sandoval, John J.; Palma, Pilar; Álvarez, Eleuterio; Cámpora, Juan; Rodríguez-Delgado, Antonio","Mechanism of Alkyl Migration in Diorganomagnesium 2,6-Bis(imino)pyridine Complexes: Formation of Grignard-Type Complexes with Square-Planar Mg(II) Centers","Organometallics","2016","35","18","3197","","10.1021/acs.organomet.6b00528","","","0.71073","MoKα","","0.1114","0.0692","","","0.1636","0.2315","","","","","","1.077","","","","has coordinates","186942","2020-10-21","18:00:00",""
"4086722","9.37","0.0007","9.0598","0.0006","12.5313","0.0008","90","","100.684","0.002","90","","1045.34","0.12","213","2","213","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C22 H30 Mg O2 -","- C22 H30 Mg O2 -","- C44 H60 Mg2 O4 -","2","1","","Sandoval, John J.; Palma, Pilar; Álvarez, Eleuterio; Cámpora, Juan; Rodríguez-Delgado, Antonio","Mechanism of Alkyl Migration in Diorganomagnesium 2,6-Bis(imino)pyridine Complexes: Formation of Grignard-Type Complexes with Square-Planar Mg(II) Centers","Organometallics","2016","35","18","3197","","10.1021/acs.organomet.6b00528","","","0.71073","MoKα","","0.0814","0.0624","","","0.1747","0.2081","","","","","","1.087","","","","has coordinates,has disorder","186942","2020-10-21","18:00:00",""
"4086723","11.6968","0.0016","16.713","0.002","23.743","0.003","90","","99.003","0.004","90","","4584.3","1","213","2","213","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C44 H59 Mg N3 -","- C44 H59 Mg N3 -","- C176 H236 Mg4 N12 -","4","1","","Sandoval, John J.; Palma, Pilar; Álvarez, Eleuterio; Cámpora, Juan; Rodríguez-Delgado, Antonio","Mechanism of Alkyl Migration in Diorganomagnesium 2,6-Bis(imino)pyridine Complexes: Formation of Grignard-Type Complexes with Square-Planar Mg(II) Centers","Organometallics","2016","35","18","3197","","10.1021/acs.organomet.6b00528","","","0.71073","MoKα","","0.0821","0.0641","","","0.1406","0.2347","","","","","","1.024","","","","has coordinates,has disorder","186942","2020-10-21","18:00:00",""
"4086724","24.5759","0.0011","16.1186","0.0008","19.5992","0.0009","90","","90","","90","","7763.8","0.6","100","2","100","","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C31.5 H52 Cl Ir N4 O5.5 -","- C31.5 H52 Cl Ir N4 O5.5 -","- C252 H416 Cl8 Ir8 N32 O44 -","8","1","","Gomez-Lopez, Jessica L.; Chávez, Daniel; Parra-Hake, Miguel; Royappa, Arun T.; Rheingold, Arnold L.; Grotjahn, Douglas B.; Miranda-Soto, Valentín","Synthesis and Reactivity of Bis(protic N-heterocyclic carbene)iridium(III) Complexes","Organometallics","2016","35","18","3148","","10.1021/acs.organomet.6b00501","","x-ray","0.71073","MoKα","","0.0637","0.0374","","","0.0792","0.0906","","","","","","1.013","","","","has coordinates,has disorder","186943","2020-10-21","18:00:00",""
"4086725","25.892","0.003","25.892","0.003","27.666","0.003","90","","90","","90","","18547","4","100","","100","","","","","","","","","5","I 41/a","-I 4ad","88","","","","- C25 H40 Cl Ir N4 -","- C25 H40 Cl Ir N4 -","- C400 H640 Cl16 Ir16 N64 -","16","","","Gomez-Lopez, Jessica L.; Chávez, Daniel; Parra-Hake, Miguel; Royappa, Arun T.; Rheingold, Arnold L.; Grotjahn, Douglas B.; Miranda-Soto, Valentín","Synthesis and Reactivity of Bis(protic N-heterocyclic carbene)iridium(III) Complexes","Organometallics","2016","35","18","3148","","10.1021/acs.organomet.6b00501","","x-ray","0.71073","MoKα","","0.0618","0.0332","","","0.0791","0.0898","","","","","","0.981","","","","has coordinates","186943","2020-10-21","18:00:00",""
"4086726","19.1093","0.0009","21.6601","0.001","8.1721","0.0004","90","","90","","90","","3382.5","0.3","173","2","173","2","","","","","","","","4","F d d 2","F 2 -2d","43","","","","- C15 H31 B N2 -","- C15 H31 B N2 -","- C120 H248 B8 N16 -","8","0.5","","Huchenski, Blake S. N.; Adams, Matt R.; McDonald, Robert; Ferguson, Michael J.; Speed, Alexander W. H.","Synthesis and Catalytic Reactivity of Bis(amino)cyclopropenylidene Carbene‒Borane Adducts","Organometallics","2016","35","18","3101","","10.1021/acs.organomet.6b00654","","","1.54178","CuKα","","0.061","0.0528","","","0.1328","0.1381","","","","","","1.036","","","","has coordinates","186944","2020-10-21","18:00:00",""
"4086727","12.637","0.0005","13.9619","0.0005","9.6818","0.0004","90","","90","","90","","1708.22","0.12","193","2","193","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C15 H28 B F3 N2 -","- C15 H28 B F3 N2 -","- C60 H112 B4 F12 N8 -","4","1","","Huchenski, Blake S. N.; Adams, Matt R.; McDonald, Robert; Ferguson, Michael J.; Speed, Alexander W. H.","Synthesis and Catalytic Reactivity of Bis(amino)cyclopropenylidene Carbene‒Borane Adducts","Organometallics","2016","35","18","3101","","10.1021/acs.organomet.6b00654","","","0.71073","MoKα","","0.0422","0.0355","","","0.0895","0.0938","","","","","","1.057","","","","has coordinates","186945","2020-10-21","18:00:00",""
"4086728","10.7916","0.0001","15.6476","0.0002","19.1459","0.0003","113.975","0.0006","90.0092","0.0007","93.4348","0.0007","2947.73","0.07","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C33 H43 B N2 -","- C33 H43 B N2 -","- C132 H172 B4 N8 -","4","2","","Huchenski, Blake S. N.; Adams, Matt R.; McDonald, Robert; Ferguson, Michael J.; Speed, Alexander W. H.","Synthesis and Catalytic Reactivity of Bis(amino)cyclopropenylidene Carbene‒Borane Adducts","Organometallics","2016","35","18","3101","","10.1021/acs.organomet.6b00654","","","1.54178","CuKα","","0.0444","0.0382","","","0.099","0.1037","","","","","","1.041","","","","has coordinates","186946","2020-10-21","18:00:00",""
"4086729","15.033","0.002","14.892","0.002","25.247","0.004","90","","90","","90","","5652.1","1.4","130","2","130","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C31 H49 N Zr -","- C31 H49 N Zr -","- C248 H392 N8 Zr8 -","8","1","","Valadez, Travis N.; Norton, Jack R.; Neary, Michelle C.; Quinlivan, Patrick J.","Reaction of Cp*2Zr(2,3-dimethylbutadiene) with Isonitriles and CO","Organometallics","2016","35","18","3163","","10.1021/acs.organomet.6b00522","","","0.71073","MoKα","","0.0557","0.0353","","","0.0776","0.0872","","","","","","1.019","","","","has coordinates,has disorder","186947","2020-10-21","18:00:00",""
"4086730","9.9539","0.0004","10.2631","0.0004","17.0973","0.0007","93.234","0.001","100.79","0.001","97.676","0.001","1694.41","0.12","130","2","130","2","","","","","","","","4","P -1","-P 1","2","","","","- C40.5 H59 N Zr -","- C37 H55 N Zr -","- C74 H110 N2 Zr2 -","2","1","","Valadez, Travis N.; Norton, Jack R.; Neary, Michelle C.; Quinlivan, Patrick J.","Reaction of Cp*2Zr(2,3-dimethylbutadiene) with Isonitriles and CO","Organometallics","2016","35","18","3163","","10.1021/acs.organomet.6b00522","","","0.71073","MoKα","","0.0326","0.0286","","","0.0745","0.0762","","","","","","1.078","","","","has coordinates","186947","2020-10-21","18:00:00",""
"4086731","11.5076","0.0005","15.1678","0.0007","18.0604","0.0008","90","","104.102","0.001","90","","3057.4","0.2","130","2","130","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C34 H54 N2 Zr -","- C34 H54 N2 Zr -","- C136 H216 N8 Zr4 -","4","1","","Valadez, Travis N.; Norton, Jack R.; Neary, Michelle C.; Quinlivan, Patrick J.","Reaction of Cp*2Zr(2,3-dimethylbutadiene) with Isonitriles and CO","Organometallics","2016","35","18","3163","","10.1021/acs.organomet.6b00522","","","0.71073","MoKα","","0.0321","0.0262","","","0.0664","0.07","","","","","","1.056","","","","has coordinates","186947","2020-10-21","18:00:00",""
"4086732","11.0833","0.0008","15.668","0.0012","15.4308","0.0012","90","","92.605","0.001","90","","2676.8","0.4","130","2","130","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C30 H47 N Zr -","- C30 H47 N Zr -","- C120 H188 N4 Zr4 -","4","1","","Valadez, Travis N.; Norton, Jack R.; Neary, Michelle C.; Quinlivan, Patrick J.","Reaction of Cp*2Zr(2,3-dimethylbutadiene) with Isonitriles and CO","Organometallics","2016","35","18","3163","","10.1021/acs.organomet.6b00522","","","0.71073","MoKα","","0.047","0.0329","","","0.0777","0.0845","","","","","","1.039","","","","has coordinates","186947","2020-10-21","18:00:00",""
"4086733","12.101","0.003","18.466","0.004","13.14","0.003","90","","93.447","0.003","90","","2930.9","1.2","130","2","130","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C32 H49 N O Zr -","- C32 H49 N O Zr -","- C128 H196 N4 O4 Zr4 -","4","1","","Valadez, Travis N.; Norton, Jack R.; Neary, Michelle C.; Quinlivan, Patrick J.","Reaction of Cp*2Zr(2,3-dimethylbutadiene) with Isonitriles and CO","Organometallics","2016","35","18","3163","","10.1021/acs.organomet.6b00522","","","0.71073","MoKα","","0.04","0.0306","","","0.0753","0.0798","","","","","","1.047","","","","has coordinates","186947","2020-10-21","18:00:00",""
"4086734","9.4695","0.0004","14.8858","0.0006","18.8709","0.0007","102.455","0.001","103.796","0.001","97.575","0.001","2474.98","0.17","130","2","130","2","","","","","","","","4","P -1","-P 1","2","","","","- C28 H40 O2 Zr -","- C28 H40 O2 Zr -","- C112 H160 O8 Zr4 -","4","2","","Valadez, Travis N.; Norton, Jack R.; Neary, Michelle C.; Quinlivan, Patrick J.","Reaction of Cp*2Zr(2,3-dimethylbutadiene) with Isonitriles and CO","Organometallics","2016","35","18","3163","","10.1021/acs.organomet.6b00522","","","0.71073","MoKα","","0.0416","0.0353","","","0.0884","0.0925","","","","","","1.041","","","","has coordinates","186947","2020-10-21","18:00:00",""
"4086735","18.0724","0.0013","9.599","0.0007","29.022","0.002","90","","94.941","0.001","90","","5015.9","0.6","130","2","130","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C27 H39 O Zr -","- C27 H39 O Zr -","- C216 H312 O8 Zr8 -","8","2","","Valadez, Travis N.; Norton, Jack R.; Neary, Michelle C.; Quinlivan, Patrick J.","Reaction of Cp*2Zr(2,3-dimethylbutadiene) with Isonitriles and CO","Organometallics","2016","35","18","3163","","10.1021/acs.organomet.6b00522","","","0.71073","MoKα","","0.0738","0.0691","","","0.2412","0.2455","","","","","","2.405","","","","has coordinates,has disorder","186947","2020-10-21","18:00:00",""
"4086736","8.5133","0.0004","14.4869","0.0006","37.9647","0.0017","90","","95.479","0.001","90","","4660.8","0.4","130","2","130","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C26 H40 Zr -","- C26 H40 Zr -","- C208 H320 Zr8 -","8","2","","Valadez, Travis N.; Norton, Jack R.; Neary, Michelle C.; Quinlivan, Patrick J.","Reaction of Cp*2Zr(2,3-dimethylbutadiene) with Isonitriles and CO","Organometallics","2016","35","18","3163","","10.1021/acs.organomet.6b00522","","","0.71073","MoKα","","0.0773","0.0427","","","0.084","0.0951","","","","","","1.012","","","","has coordinates","186947","2020-10-21","18:00:00",""
"4086737","21.983","0.003","15.019","0.002","9.2362","0.0014","90","","90","","90","","3049.4","0.7","173","2","173","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C18 H22 B N -","- C18 H22 B N -","- C144 H176 B8 N8 -","8","1","","Smith, Mallory F.; Cassidy, S. Joel; Adams, Ian A.; Vasiliu, Monica; Gerlach, Deidra L.; Dixon, David A.; Rupar, Paul A.","Substituent Effects on the Properties of Borafluorenes","Organometallics","2016","35","18","3182","","10.1021/acs.organomet.6b00537","","","0.71073","MoKα","","0.0847","0.0672","","","0.2164","0.2289","","","","","","1.721","","","","has coordinates,has disorder","186948","2020-10-21","18:00:00",""
"4086738","15.9247","0.0004","10.6597","0.0003","16.2801","0.0005","90","","113.886","0.001","90","","2526.89","0.12","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","5,5'-dimethoxydibenzo(2,4,6-isopropylphenyl)borole","","- C29 H35 B O2 -","- C29 H35 B O2 -","- C116 H140 B4 O8 -","4","1","","Smith, Mallory F.; Cassidy, S. Joel; Adams, Ian A.; Vasiliu, Monica; Gerlach, Deidra L.; Dixon, David A.; Rupar, Paul A.","Substituent Effects on the Properties of Borafluorenes","Organometallics","2016","35","18","3182","","10.1021/acs.organomet.6b00537","","","0.71073","MoKα","","0.0667","0.0522","","","0.149","0.1594","","","","","","1.077","","","","has coordinates","186948","2020-10-21","18:00:00",""
"4086739","13.8383","0.0007","33.677","0.0017","8.1729","0.0004","90","","94.676","0.003","90","","3796.2","0.3","173","2","173","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C21 H10 B F9 -","- C21 H10 B F9 -","- C168 H80 B8 F72 -","8","2","","Smith, Mallory F.; Cassidy, S. Joel; Adams, Ian A.; Vasiliu, Monica; Gerlach, Deidra L.; Dixon, David A.; Rupar, Paul A.","Substituent Effects on the Properties of Borafluorenes","Organometallics","2016","35","18","3182","","10.1021/acs.organomet.6b00537","","","0.71073","MoKα","","0.0594","0.04","","","0.0951","0.1109","","","","","","1.05","","","","has coordinates","186948","2020-10-21","18:00:00",""
"4086740","9.4578","0.0017","10.709","0.002","11.485","0.002","106.109","0.005","99.15","0.005","108.601","0.006","1019.3","0.3","100","","100","","","","","","","","","3","P -1","-P 1","2","","","","- C42 H62 Ge4 -","- C42 H62 Ge4 -","- C42 H62 Ge4 -","1","0.5","","Komanduri, Sangeetha P.; Shumaker, F. Alexander; Roewe, Kimberly D.; Wolf, Melanie; Uhlig, Frank; Moore, Curtis E.; Rheingold, Arnold L.; Weinert, Charles S.","A Series of Isopropyl-Substituted Oligogermanes Pri3Ge(GePh2)nGePri3(n= 0‒3) Featuring a Luminescent and Dichroic Pentagermane Pri3Ge(GePh2)3GePri3","Organometallics","2016","35","18","3240","","10.1021/acs.organomet.6b00596","","x-ray","0.71073","MoKα","K-L~3~","0.1103","0.0487","","","0.0871","0.1012","","","","","","1.009","","","","has coordinates","186949","2020-10-21","18:00:00",""
"4086741","16.5478","0.0011","12.6673","0.0009","25.394","0.0018","90","","106.184","0.002","90","","5112","0.6","100","","100","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C54 H72 Ge5 -","- C54 H72 Ge5 -","- C216 H288 Ge20 -","4","1","","Komanduri, Sangeetha P.; Shumaker, F. Alexander; Roewe, Kimberly D.; Wolf, Melanie; Uhlig, Frank; Moore, Curtis E.; Rheingold, Arnold L.; Weinert, Charles S.","A Series of Isopropyl-Substituted Oligogermanes Pri3Ge(GePh2)nGePri3(n= 0‒3) Featuring a Luminescent and Dichroic Pentagermane Pri3Ge(GePh2)3GePri3","Organometallics","2016","35","18","3240","","10.1021/acs.organomet.6b00596","","","0.71073","MoKα","","0.0881","0.0525","","","0.0943","0.1044","","","","","","1.028","","","","has coordinates","186949","2020-10-21","18:00:00",""
"4086742","9.6058","0.0006","10.9421","0.0006","14.6843","0.0009","89.045","0.002","83.682","0.002","85.038","0.002","1528.27","0.16","100","2","100","2","","","","","","","","3","P -1","-P 1","2","SK-218","","","- C36 H32 Ge3 -","- C36 H32 Ge3 -","- C72 H64 Ge6 -","2","1","","Komanduri, Sangeetha P.; Shumaker, F. Alexander; Roewe, Kimberly D.; Wolf, Melanie; Uhlig, Frank; Moore, Curtis E.; Rheingold, Arnold L.; Weinert, Charles S.","A Series of Isopropyl-Substituted Oligogermanes Pri3Ge(GePh2)nGePri3(n= 0‒3) Featuring a Luminescent and Dichroic Pentagermane Pri3Ge(GePh2)3GePri3","Organometallics","2016","35","18","3240","","10.1021/acs.organomet.6b00596","","","0.71073","MoKα","","0.0475","0.0302","","","0.0577","0.0629","","","","","","0.999","","","","has coordinates","186949","2020-10-21","18:00:00",""
"4086743","7.8388","0.0005","9.9117","0.0007","15.1225","0.001","105.935","0.003","92.176","0.003","107.411","0.003","1068.76","0.13","100","2","100","2","","","","","","","","5","P -1","-P 1","2","complex_trans_5","complex_trans_5","","- C19 H33 Ir O3 P2 -","- C19 H33 Ir O3 P2 -","- C38 H66 Ir2 O6 P4 -","2","1","","Goldberg, Jonathan M.; Cherry, Sophia D. T.; Guard, Louise M.; Kaminsky, Werner; Goldberg, Karen I.; Heinekey, D. Michael","Hydrogen Addition to (pincer)IrI(CO) Complexes: The Importance of Steric and Electronic Factors","Organometallics","2016","35","20","3546","","10.1021/acs.organomet.6b00598","","","0.71073","MoKα","","0.0143","0.0132","","","0.0268","0.0271","","","","","","1.046","","","","has coordinates","187941","2020-10-21","18:00:00",""
"4086744","10.6974","0.0007","14.1665","0.001","18.4112","0.0011","90","","91.427","0.004","90","","2789.3","0.3","100","2","100","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C24 H37 B F4 Ir N O3 P2 -","- C24 H37 B F4 Ir N O3 P2 -","- C96 H148 B4 F16 Ir4 N4 O12 P8 -","4","1","","Goldberg, Jonathan M.; Cherry, Sophia D. T.; Guard, Louise M.; Kaminsky, Werner; Goldberg, Karen I.; Heinekey, D. Michael","Hydrogen Addition to (pincer)IrI(CO) Complexes: The Importance of Steric and Electronic Factors","Organometallics","2016","35","20","3546","","10.1021/acs.organomet.6b00598","","","0.71073","MoKα","","0.1413","0.0999","","","0.2024","0.2244","","","","","","1.328","","","","has coordinates,has disorder","187941","2020-10-21","18:00:00",""
"4086745","12.9175","0.0009","14.7329","0.001","20.1421","0.0014","109.001","0.004","96.628","0.004","90.772","0.004","3594.9","0.4","100","2","100","2","","","","","","","","9","P -1","-P 1","2","","complex_12","","- C31 H51 B Cl2 F4 Ir N O P2 -","- C31 H51 B Cl2 F4 Ir N O P2 -","- C124 H204 B4 Cl8 F16 Ir4 N4 O4 P8 -","4","2","","Goldberg, Jonathan M.; Cherry, Sophia D. T.; Guard, Louise M.; Kaminsky, Werner; Goldberg, Karen I.; Heinekey, D. Michael","Hydrogen Addition to (pincer)IrI(CO) Complexes: The Importance of Steric and Electronic Factors","Organometallics","2016","35","20","3546","","10.1021/acs.organomet.6b00598","","","0.71073","MoKα","","0.0545","0.0344","","","0.0725","0.082","","","","","","1.032","","","","has coordinates","187941","2020-10-21","18:00:00",""
"4086746","21.468","0.0015","10.9382","0.0006","20.3858","0.0014","90","","111.938","0.005","90","","4440.4","0.5","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","[(iPr)4(PCP)Ir]2(?-N2)","[(iPr)4(PCP)Ir]2(?-N2)","","- C40 H70 Ir2 N2 P4 -","- C40 H70 Ir2 N2 P4 -","- C160 H280 Ir8 N8 P16 -","4","0.5","","Goldberg, Jonathan M.; Cherry, Sophia D. T.; Guard, Louise M.; Kaminsky, Werner; Goldberg, Karen I.; Heinekey, D. Michael","Hydrogen Addition to (pincer)IrI(CO) Complexes: The Importance of Steric and Electronic Factors","Organometallics","2016","35","20","3546","","10.1021/acs.organomet.6b00598","","","0.71073","MoKα","","0.0286","0.019","","","0.0374","0.0404","","","","","","1.039","","","","has coordinates","187941","2020-10-21","18:00:00",""
"4086747","19.05","0.003","14.103","0.003","14.527","0.003","90","","103.505","0.005","90","","3794.9","1.3","100","2","100.46","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C39 H57 Cl2 N2 Ni P -","- C39 H57 Cl2 N2 Ni P -","- C156 H228 Cl8 N8 Ni4 P4 -","4","1","","Touney, Eric E.; Van Hoveln, Ryan; Buttke, Carl T.; Freidberg, Michael D.; Guzei, Ilia A.; Schomaker, Jennifer M.","Heteroleptic Nickel Complexes for the Markovnikov-Selective Hydroboration of Styrenes","Organometallics","2016","35","20","3436","","10.1021/acs.organomet.6b00652","","","1.54178","CuKα","","0.0392","0.0332","","","0.0865","0.0911","","","","","","1.025","","","","has coordinates,has disorder","187940","2020-10-21","18:00:00",""
"4086748","21.649","0.006","21.671","0.006","22.852","0.007","71.1","0.007","79.041","0.005","88.03","0.017","9954","5","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C50.31 H77.22 Cl2 N2 Ni P1.17 -","- C50.3261 H77.2396 Cl2 N2 Ni P1.17318 -","- C402.609 H617.917 Cl16 N16 Ni8 P9.3854 -","8","4","","Touney, Eric E.; Van Hoveln, Ryan; Buttke, Carl T.; Freidberg, Michael D.; Guzei, Ilia A.; Schomaker, Jennifer M.","Heteroleptic Nickel Complexes for the Markovnikov-Selective Hydroboration of Styrenes","Organometallics","2016","35","20","3436","","10.1021/acs.organomet.6b00652","","","0.71073","MoKα","","0.057","0.0402","","","0.0972","0.1062","","","","","","1.024","","","","has coordinates,has disorder","187940","2020-10-21","18:00:00",""
"4086749","13.613","0.004","23.589","0.007","24.661","0.007","106.004","0.016","95.015","0.018","96.289","0.015","7509","4","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C93 H96.5 Cl2 N2 Ni P -","- C91 H94 Cl2 N2 Ni P -","- C364 H376 Cl8 N8 Ni4 P4 -","4","2","","Touney, Eric E.; Van Hoveln, Ryan; Buttke, Carl T.; Freidberg, Michael D.; Guzei, Ilia A.; Schomaker, Jennifer M.","Heteroleptic Nickel Complexes for the Markovnikov-Selective Hydroboration of Styrenes","Organometallics","2016","35","20","3436","","10.1021/acs.organomet.6b00652","","x-ray","0.71073","MoKα","","0.0796","0.0444","","","0.0874","0.1","","","","","","1.006","","","","has coordinates","187940","2020-10-21","18:00:00",""
"4086750","10.6094","0.0004","17.5808","0.0006","12.7464","0.0004","90","","96.791","0.002","90","","2360.8","0.14","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C19.47 H37.95 Cl2 Co N4 O2 -","- C19.472 H37.946 Cl2.001 Co N4 O2.001 -","- C77.888 H151.784 Cl8.004 Co4 N16 O8.004 -","4","1","","Natoli, Sean N.; Azbell, Tyler J.; Fanwick, Phillip E.; Zeller, Matthias; Ren, Tong","A Synthetic Approach to Cross-Conjugated Organometallic Complexes Based on geminal-Diethynylethene and CoIII(cyclam)","Organometallics","2016","35","20","3594","","10.1021/acs.organomet.6b00657","","","0.71073","MoKα","","0.0732","0.0392","","","0.0891","0.0992","","","","","","1.049","","","","has coordinates,has disorder","187942","2020-10-21","18:00:00",""
"4086751","11.9073","0.001","17.4468","0.0011","12.498","0.0008","90","","102.31","0.006","90","","2536.7","0.3","150","2","150","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C19.76 H34.02 Co F6 N5 O0.76 P -","- C19.756 H34.024 Co F6 N5 O0.756 P -","- C79.024 H136.096 Co4 F24 N20 O3.024 P4 -","4","1","","Natoli, Sean N.; Azbell, Tyler J.; Fanwick, Phillip E.; Zeller, Matthias; Ren, Tong","A Synthetic Approach to Cross-Conjugated Organometallic Complexes Based on geminal-Diethynylethene and CoIII(cyclam)","Organometallics","2016","35","20","3594","","10.1021/acs.organomet.6b00657","","","1.54178","CuKα","","0.0827","0.0642","","","0.1436","0.1586","","","","","","1.041","","","","has coordinates,has disorder","187942","2020-10-21","18:00:00",""
"4086752","8.5624","0.0003","17.2059","0.0005","27.3475","0.001","90","","98.582","0.002","90","","3983.8","0.2","150","2","150","2","","","","","","","","9","P 1 2/n 1","-P 2yac","13","","","","- C71 H120 Cl Co2 F3 N8 O7.88 S Si2 -","- C71 H120 Cl Co2 F3 N8 O7.876 S Si2 -","- C142 H240 Cl2 Co4 F6 N16 O15.752 S2 Si4 -","2","0.5","","Natoli, Sean N.; Azbell, Tyler J.; Fanwick, Phillip E.; Zeller, Matthias; Ren, Tong","A Synthetic Approach to Cross-Conjugated Organometallic Complexes Based on geminal-Diethynylethene and CoIII(cyclam)","Organometallics","2016","35","20","3594","","10.1021/acs.organomet.6b00657","","","0.71073","MoKα","","0.0948","0.0495","","","0.1303","0.1421","","","","","","1.077","","","","has coordinates,has disorder","187942","2020-10-21","18:00:00",""
"4086753","14.1272","0.0003","15.6818","0.0004","19.7114","0.0005","88.28","0.001","77.085","0.001","87.828","0.001","4252.29","0.18","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C31.5 H68 Cl4 Co2 N8 O3.5 -","- C31.5 H68 Cl4 Co2 N8 O3.5 -","- C126 H272 Cl16 Co8 N32 O14 -","4","2","","Natoli, Sean N.; Azbell, Tyler J.; Fanwick, Phillip E.; Zeller, Matthias; Ren, Tong","A Synthetic Approach to Cross-Conjugated Organometallic Complexes Based on geminal-Diethynylethene and CoIII(cyclam)","Organometallics","2016","35","20","3594","","10.1021/acs.organomet.6b00657","","","0.71073","MoKα","","0.0786","0.0543","","","0.139","0.1506","","","","","","1.028","","","","has coordinates","190287","2020-10-21","18:00:00",""
"4086754","13.1069","0.0005","14.6343","0.0005","17.323","0.0006","66.088","0.003","81.683","0.003","87.985","0.003","3004.6","0.2","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C40.44 H66.67 Co2 F12 N12.22 O12 S4 -","- C40.444 H66.666 Co2 F12 N12.222 O12 S4 -","- C80.888 H133.332 Co4 F24 N24.444 O24 S8 -","2","1","","Natoli, Sean N.; Azbell, Tyler J.; Fanwick, Phillip E.; Zeller, Matthias; Ren, Tong","A Synthetic Approach to Cross-Conjugated Organometallic Complexes Based on geminal-Diethynylethene and CoIII(cyclam)","Organometallics","2016","35","20","3594","","10.1021/acs.organomet.6b00657","","","1.54178","CuKα","","0.0925","0.0719","","","0.1708","0.1907","","","","","","1.039","","","","has coordinates,has disorder","187942","2020-10-21","18:00:00",""
"4086755","19.1438","0.001","9.9999","0.0004","13.7463","0.0005","90","","103.304","0.003","90","","2560.9","0.2","200","2","200","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C40 H76 Cl4 Co2 N8 O4 -","- C40 H76 Cl4 Co2 N8 O4 -","- C80 H152 Cl8 Co4 N16 O8 -","2","0.5","","Natoli, Sean N.; Azbell, Tyler J.; Fanwick, Phillip E.; Zeller, Matthias; Ren, Tong","A Synthetic Approach to Cross-Conjugated Organometallic Complexes Based on geminal-Diethynylethene and CoIII(cyclam)","Organometallics","2016","35","20","3594","","10.1021/acs.organomet.6b00657","","","0.71073","MoKα","","0.0887","0.0435","","","0.0863","0.0997","","","","","","0.986","","","","has coordinates","187942","2020-10-21","18:00:00",""
"4086758","14.7505","0.0007","16.7148","0.0007","19.1088","0.0008","90","","108.693","0.0013","90","","4462.8","0.3","100","2","100","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C32 H53 B F3 Fe N9 O4 S4 -","- C28 H43 B F3 Fe N9 O3 S4 -","- C112 H172 B4 F12 Fe4 N36 O12 S16 -","4","1","","Gowda, Anitha S.; Baur, Andreas; Scaggs, Carl A.; Petersen, Jeffrey L.; Hoover, Jessica M.","Formation of Di-tert-butylurea from a Mononuclear Iron Tris(isocyanide) Complex","Organometallics","2016","","","","","10.1021/acs.organomet.6b00687","","","0.71073","MoKα","","0.0813","0.0562","","","0.1364","0.1509","","","","","","1.038","","","","has coordinates","187520","2020-10-21","18:00:00",""
"4086759","12.832","0.0006","14.2976","0.0006","16.8528","0.0008","90.041","0.0013","94.5144","0.0014","115.253","0.0012","2785.7","0.2","100","2","100","2","","","","","","","","9","P -1","-P 1","2","","","","- C48 H59 B Cl2 F3 Fe N9 O4 S4 -","- C44 H51 B Cl2 F3 Fe N9 O3 S4 -","- C88 H102 B2 Cl4 F6 Fe2 N18 O6 S8 -","2","1","","Gowda, Anitha S.; Baur, Andreas; Scaggs, Carl A.; Petersen, Jeffrey L.; Hoover, Jessica M.","Formation of Di-tert-butylurea from a Mononuclear Iron Tris(isocyanide) Complex","Organometallics","2016","","","","","10.1021/acs.organomet.6b00687","","","0.71073","MoKα","","0.0528","0.0419","","","0.1052","0.1131","","","","","","1.038","","","","has coordinates","187520","2020-10-21","18:00:00",""
"4086760","11.8192","0.0003","27.4879","0.0004","16.5417","0.0003","90","","91.2122","0.0005","90","","5372.95","0.18","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C57 H88 N2 O2 Si W -","- C57 H88 N2 O2 Si W -","- C228 H352 N8 O8 Si4 W4 -","4","1","","Takashi Yoshimoto; Hisako Hashimoto; Naoki Hayakawa; Tsukasa Matsuo; Hiromi Tobita","A Silylyne Tungsten Complex Having an Eind Group on Silicon: Its Dimer‒Monomer Equilibrium and Cycloaddition Reactions with Carbodiimide and Diaryl Ketones","Organometallics","2016","","","3444","3447","10.1021/om6b00670","","","0.71073","MoKα","","0.0676","0.0554","","","0.1025","0.1065","","","","","","1.34","","","","has coordinates","188053","2020-10-21","18:00:00",""
"4086761","13.7165","0.0008","14.2405","0.0006","20.985","0.0015","83.3105","0.0015","88.5806","0.0019","76.323","0.003","3955.6","0.4","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C83 H127 O4 Si2 W2 -","- C83 H127 O4 Si2 W2 -","- C166 H254 O8 Si4 W4 -","2","1","","Takashi Yoshimoto; Hisako Hashimoto; Naoki Hayakawa; Tsukasa Matsuo; Hiromi Tobita","A Silylyne Tungsten Complex Having an Eind Group on Silicon: Its Dimer‒Monomer Equilibrium and Cycloaddition Reactions with Carbodiimide and Diaryl Ketones","Organometallics","2016","","","3444","3447","10.1021/om6b00670","","","0.71073","MoKα","","0.0602","0.044","","","0.1088","0.1194","","","","","","1.171","","","","has coordinates","188053","2020-10-21","18:00:00",""
"4086762","9.3068","0.0003","11.0982","0.0005","28.5353","0.001","90","","94.9836","0.0006","90","","2936.23","0.19","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C29 H22 B F15 N2 -","- C29 H22 B F15 N2 -","- C116 H88 B4 F60 N8 -","4","1","","Takashi Yoshimoto; Hisako Hashimoto; Naoki Hayakawa; Tsukasa Matsuo; Hiromi Tobita","A Silylyne Tungsten Complex Having an Eind Group on Silicon: Its Dimer‒Monomer Equilibrium and Cycloaddition Reactions with Carbodiimide and Diaryl Ketones","Organometallics","2016","","","3444","3447","10.1021/om6b00670","","","0.71073","MoKα","","0.1215","0.0937","","","0.1908","0.2076","","","","","","1.268","","","","has coordinates,has disorder","188053","2020-10-21","18:00:00",""
"4086763","18.5274","0.0003","13.1587","0.0002","18.7332","0.0004","90","","99.6199","0.0005","90","","4502.87","0.14","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C47 H74 N2 O2 Si W -","- C47 H74 N2 O2 Si W -","- C188 H296 N8 O8 Si4 W4 -","4","1","","Takashi Yoshimoto; Hisako Hashimoto; Naoki Hayakawa; Tsukasa Matsuo; Hiromi Tobita","A Silylyne Tungsten Complex Having an Eind Group on Silicon: Its Dimer‒Monomer Equilibrium and Cycloaddition Reactions with Carbodiimide and Diaryl Ketones","Organometallics","2016","","","3444","3447","10.1021/om6b00670","","","0.71073","MoKα","","0.0871","0.0713","","","0.0931","0.0965","","","","","","1.39","","","","has coordinates","188053","2020-10-21","18:00:00",""
"4086764","10.2995","0.0005","13.3593","0.0006","17.9891","0.0009","99.1384","0.0019","105.609","0.0017","100","0.002","2291.9","0.19","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C53 H70 O3 Si W -","- C53 H70 O3 Si W -","- C106 H140 O6 Si2 W2 -","2","1","","Takashi Yoshimoto; Hisako Hashimoto; Naoki Hayakawa; Tsukasa Matsuo; Hiromi Tobita","A Silylyne Tungsten Complex Having an Eind Group on Silicon: Its Dimer‒Monomer Equilibrium and Cycloaddition Reactions with Carbodiimide and Diaryl Ketones","Organometallics","2016","","","3444","3447","10.1021/om6b00670","","","0.71073","MoKα","","0.095","0.0746","","","0.1566","0.1667","","","","","","1.172","","","","has coordinates","188053","2020-10-21","18:00:00",""
"4086765","11.9621","0.0001","13.1248","0.0001","22.4795","0.0008","86.6323","0.0009","80.8412","0.0014","69.4944","0.0012","3263.5","0.13","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C74 H98 O5 Si W -","- C74 H98 O5 Si W -","- C148 H196 O10 Si2 W2 -","2","1","","Takashi Yoshimoto; Hisako Hashimoto; Naoki Hayakawa; Tsukasa Matsuo; Hiromi Tobita","A Silylyne Tungsten Complex Having an Eind Group on Silicon: Its Dimer‒Monomer Equilibrium and Cycloaddition Reactions with Carbodiimide and Diaryl Ketones","Organometallics","2016","","","3444","3447","10.1021/om6b00670","","","0.71073","MoKα","","0.1061","0.0875","","","0.1963","0.2056","","","","","","1.17","","","","has coordinates","188053","2020-10-21","18:00:00",""
"4086766","9.3622","0.0013","14.3857","0.0015","16.751","0.002","90","","90","","90","","2256.1","0.5","100","2","100","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C18.71 H32 Co N5.29 O2 -","- C18.7 H32 Co N5.3 O2 -","- C74.8 H128 Co4 N21.2 O8 -","4","0.5","","Hering, Florian; Berthel, Johannes H. J.; Lubitz, Katharina; Paul, Ursula S. D.; Härterich, Heidi Schneider Marcel; Radius, Udo","Correction to Synthesis and Thermal Properties of Novel NHC-Stabilized Cobalt Carbonyl Nitrosyl Complexes","Organometallics","2016","","","","","10.1021/acs.organomet.6b00833","","","0.71073","MoKα","","0.047","0.0326","","","0.0777","0.0848","","","","","","1.028","","","","has coordinates,has disorder","188327","2020-10-21","18:00:00",""
"4086767","20.7723","0.0008","14.1718","0.0006","15.2194","0.0006","90","","102.777","0.002","90","","4369.4","0.3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H32 Co N5 O2 -","- C19 H32 Co N5 O2 -","- C152 H256 Co8 N40 O16 -","8","2","","Hering, Florian; Berthel, Johannes H. J.; Lubitz, Katharina; Paul, Ursula S. D.; Härterich, Heidi Schneider Marcel; Radius, Udo","Correction to Synthesis and Thermal Properties of Novel NHC-Stabilized Cobalt Carbonyl Nitrosyl Complexes","Organometallics","2016","","","","","10.1021/acs.organomet.6b00833","","","0.71073","MoKα","","0.0594","0.0455","","","0.1049","0.1133","","","","","","1.061","","","","has coordinates,has disorder","188327","2020-10-21","18:00:00",""
"4086768","13.8677","0.0006","15.4412","0.0007","15.8969","0.0007","90","","110.16","0.002","90","","3195.5","0.2","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C31 H48 Co N5 O2 -","- C31 H48 Co N5 O2 -","- C124 H192 Co4 N20 O8 -","4","1","","Hering, Florian; Berthel, Johannes H. J.; Lubitz, Katharina; Paul, Ursula S. D.; Härterich, Heidi Schneider Marcel; Radius, Udo","Correction to Synthesis and Thermal Properties of Novel NHC-Stabilized Cobalt Carbonyl Nitrosyl Complexes","Organometallics","2016","","","","","10.1021/acs.organomet.6b00833","","","0.71073","MoKα","","0.0667","0.0406","","","0.0911","0.102","","","","","","1.012","","","","has coordinates","188327","2020-10-21","18:00:00",""
"4086769","15.318","0.002","10.6428","0.0016","8.5508","0.0013","90","","90","","90","","1394","0.3","100","2","100","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C11 H16 Co N5 O2 -","- C11 H16 Co N5 O2 -","- C44 H64 Co4 N20 O8 -","4","1","","Hering, Florian; Berthel, Johannes H. J.; Lubitz, Katharina; Paul, Ursula S. D.; Härterich, Heidi Schneider Marcel; Radius, Udo","Correction to Synthesis and Thermal Properties of Novel NHC-Stabilized Cobalt Carbonyl Nitrosyl Complexes","Organometallics","2016","","","","","10.1021/acs.organomet.6b00833","","","0.71073","MoKα","","0.029","0.0234","","","0.0562","0.0586","","","","","","1.035","","","","has coordinates","188327","2020-10-21","18:00:00",""
"4086770","8.6366","0.0004","13.4788","0.0007","21.6573","0.001","90","","90","","90","","2521.1","0.2","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C23 H40 Co N5 O2 -","- C23 H40 Co N5 O2 -","- C92 H160 Co4 N20 O8 -","4","1","","Hering, Florian; Berthel, Johannes H. J.; Lubitz, Katharina; Paul, Ursula S. D.; Härterich, Heidi Schneider Marcel; Radius, Udo","Correction to Synthesis and Thermal Properties of Novel NHC-Stabilized Cobalt Carbonyl Nitrosyl Complexes","Organometallics","2016","","","","","10.1021/acs.organomet.6b00833","","","0.71073","MoKα","","0.0265","0.0245","","","0.0633","0.0643","","","","","","1.05","","","","has coordinates","188327","2020-10-21","18:00:00",""
"4086771","9.2608","0.0004","11.1303","0.0005","17.2042","0.0008","90","","99.803","0.0014","90","","1747.44","0.14","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C15 H24 Co N5 O2 -","- C15 H24 Co N5 O2 -","- C60 H96 Co4 N20 O8 -","4","1","","Hering, Florian; Berthel, Johannes H. J.; Lubitz, Katharina; Paul, Ursula S. D.; Härterich, Heidi Schneider Marcel; Radius, Udo","Correction to Synthesis and Thermal Properties of Novel NHC-Stabilized Cobalt Carbonyl Nitrosyl Complexes","Organometallics","2016","","","","","10.1021/acs.organomet.6b00833","","","0.71073","MoKα","","0.0292","0.0273","","","0.0735","0.075","","","","","","1.039","","","","has coordinates","188327","2020-10-21","18:00:00",""
"4086772","10.4885","0.0008","8.2084","0.0006","20.4826","0.0016","90","","98.606","0.003","90","","1743.6","0.2","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H24 Co N5 O2 -","- C15 H24 Co N5 O2 -","- C60 H96 Co4 N20 O8 -","4","1","","Hering, Florian; Berthel, Johannes H. J.; Lubitz, Katharina; Paul, Ursula S. D.; Härterich, Heidi Schneider Marcel; Radius, Udo","Correction to Synthesis and Thermal Properties of Novel NHC-Stabilized Cobalt Carbonyl Nitrosyl Complexes","Organometallics","2016","","","","","10.1021/acs.organomet.6b00833","","","0.71073","MoKα","","0.0493","0.0341","","","0.0677","0.0725","","","","","","1.041","","","","has coordinates","188327","2020-10-21","18:00:00",""
"4086773","16.0481","0.0014","9.5636","0.0009","10.3892","0.0009","90","","90","","90","","1594.5","0.2","100","2","100","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C13 H20 Co N3 O3 -","- C13 H20 Co N3 O3 -","- C52 H80 Co4 N12 O12 -","4","0.5","","Hering, Florian; Berthel, Johannes H. J.; Lubitz, Katharina; Paul, Ursula S. D.; Härterich, Heidi Schneider Marcel; Radius, Udo","Correction to Synthesis and Thermal Properties of Novel NHC-Stabilized Cobalt Carbonyl Nitrosyl Complexes","Organometallics","2016","","","","","10.1021/acs.organomet.6b00833","","","0.71073","MoKα","","0.0733","0.0566","","","0.1559","0.1679","","","","","","1.064","","","","has coordinates","188327","2020-10-21","18:00:00",""
"4086774","9.6054","0.0004","16.3771","0.0007","18.1203","0.0007","90","","91.515","0.001","90","","2849.5","0.2","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C29 H36 Co N3 O3 -","- C29 H36 Co N3 O3 -","- C116 H144 Co4 N12 O12 -","4","1","","Hering, Florian; Berthel, Johannes H. J.; Lubitz, Katharina; Paul, Ursula S. D.; Härterich, Heidi Schneider Marcel; Radius, Udo","Correction to Synthesis and Thermal Properties of Novel NHC-Stabilized Cobalt Carbonyl Nitrosyl Complexes","Organometallics","2016","","","","","10.1021/acs.organomet.6b00833","","","0.71073","MoKα","","0.0362","0.0307","","","0.0784","0.0817","","","","","","1.034","","","","has coordinates","188327","2020-10-21","18:00:00",""
"4086775","7.6104","0.001","8.3315","0.001","19.219","0.002","78.957","0.004","87.909","0.004","68.579","0.004","1112.7","0.2","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C23 H24 Co N3 O3 -","- C23 H24 Co N3 O3 -","- C46 H48 Co2 N6 O6 -","2","1","","Hering, Florian; Berthel, Johannes H. J.; Lubitz, Katharina; Paul, Ursula S. D.; Härterich, Heidi Schneider Marcel; Radius, Udo","Correction to Synthesis and Thermal Properties of Novel NHC-Stabilized Cobalt Carbonyl Nitrosyl Complexes","Organometallics","2016","","","","","10.1021/acs.organomet.6b00833","","","0.71073","MoKα","","0.0479","0.0366","","","0.0819","0.0865","","","","","","1.052","","","","has coordinates","188327","2020-10-21","18:00:00",""
"4086776","12.5393","0.0008","7.8237","0.0005","15.1292","0.0009","90","","110.084","0.002","90","","1393.98","0.15","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C11 H16 Co N3 O3 -","- C11 H16 Co N3 O3 -","- C44 H64 Co4 N12 O12 -","4","1","","Hering, Florian; Berthel, Johannes H. J.; Lubitz, Katharina; Paul, Ursula S. D.; Härterich, Heidi Schneider Marcel; Radius, Udo","Correction to Synthesis and Thermal Properties of Novel NHC-Stabilized Cobalt Carbonyl Nitrosyl Complexes","Organometallics","2016","","","","","10.1021/acs.organomet.6b00833","","","0.71073","MoKα","","0.024","0.0228","","","0.0587","0.0597","","","","","","1.051","","","","has coordinates","188327","2020-10-21","18:00:00",""
"4086777","7.1478","0.0006","7.763","0.0006","9.4028","0.0008","75.97","0.003","71.492","0.003","76.53","0.003","473.05","0.07","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C7 H8 Co N3 O3 -","- C7 H8 Co N3 O3 -","- C14 H16 Co2 N6 O6 -","2","1","","Hering, Florian; Berthel, Johannes H. J.; Lubitz, Katharina; Paul, Ursula S. D.; Härterich, Heidi Schneider Marcel; Radius, Udo","Correction to Synthesis and Thermal Properties of Novel NHC-Stabilized Cobalt Carbonyl Nitrosyl Complexes","Organometallics","2016","","","","","10.1021/acs.organomet.6b00833","","","0.71073","MoKα","","0.0335","0.032","","","0.0772","0.0783","","","","","","1.074","","","","has coordinates","188327","2020-10-21","18:00:00",""
"4086778","8.6254","0.0003","9.184","0.0003","11.326","0.0004","70.209","0.001","78.048","0.001","64.995","0.001","762.92","0.05","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C13 H20 Co N3 O3 -","- C13 H20 Co N3 O3 -","- C26 H40 Co2 N6 O6 -","2","1","","Hering, Florian; Berthel, Johannes H. J.; Lubitz, Katharina; Paul, Ursula S. D.; Härterich, Heidi Schneider Marcel; Radius, Udo","Correction to Synthesis and Thermal Properties of Novel NHC-Stabilized Cobalt Carbonyl Nitrosyl Complexes","Organometallics","2016","","","","","10.1021/acs.organomet.6b00833","","","0.71073","MoKα","","0.0315","0.03","","","0.0738","0.0749","","","","","","1.086","","","","has coordinates","188327","2020-10-21","18:00:00",""
"4086779","7.22","0.0006","27.389","0.002","17.6597","0.0014","90","","91.91","0.002","90","","3490.2","0.5","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C9 H12 Co N3 O3 -","- C9 H12 Co N3 O3 -","- C108 H144 Co12 N36 O36 -","12","3","","Hering, Florian; Berthel, Johannes H. J.; Lubitz, Katharina; Paul, Ursula S. D.; Härterich, Heidi Schneider Marcel; Radius, Udo","Correction to Synthesis and Thermal Properties of Novel NHC-Stabilized Cobalt Carbonyl Nitrosyl Complexes","Organometallics","2016","","","","","10.1021/acs.organomet.6b00833","","","0.71073","MoKα","","0.0364","0.0307","","","0.0683","0.0703","","","","","","1.093","","","","has coordinates","188327","2020-10-21","18:00:00",""
"4086780","8.5902","0.0005","17.2237","0.0009","8.8972","0.0005","90","","106.334","0.002","90","","1263.25","0.12","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C10 H14 Co N3 O3 -","- C10 H14 Co N3 O3 -","- C40 H56 Co4 N12 O12 -","4","1","","Hering, Florian; Berthel, Johannes H. J.; Lubitz, Katharina; Paul, Ursula S. D.; Härterich, Heidi Schneider Marcel; Radius, Udo","Correction to Synthesis and Thermal Properties of Novel NHC-Stabilized Cobalt Carbonyl Nitrosyl Complexes","Organometallics","2016","","","","","10.1021/acs.organomet.6b00833","","","0.71073","MoKα","","0.022","0.0211","","","0.0558","0.0564","","","","","","1.039","","","","has coordinates","188327","2020-10-21","18:00:00",""
"4086781","9.3162","0.0002","15.031","0.0004","16.1804","0.0004","90","","99.983","0.001","90","","2231.47","0.09","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C22 H31 Co N2 O3 -","- C22 H31 Co N2 O3 -","- C88 H124 Co4 N8 O12 -","4","1","","Hering, Florian; Berthel, Johannes H. J.; Lubitz, Katharina; Paul, Ursula S. D.; Härterich, Heidi Schneider Marcel; Radius, Udo","Correction to Synthesis and Thermal Properties of Novel NHC-Stabilized Cobalt Carbonyl Nitrosyl Complexes","Organometallics","2016","","","","","10.1021/acs.organomet.6b00833","","","0.71073","MoKα","","0.0386","0.0312","","","0.0742","0.078","","","","","","1.039","","","","has coordinates","188327","2020-10-21","18:00:00",""
"4086782","13.437","0.003","15.61","0.003","13.25","0.003","90","","111.649","0.003","90","","2583.2","1","170","","170","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C33 H29 O2 P -","- C33 H29 O2 P -","- C132 H116 O8 P4 -","4","1","","Iwai, Tomohiro; Tanaka, Ryotaro; Sawamura, Masaya","Synthesis, Coordination Properties, and Catalytic Application of Triarylmethane-Monophosphines","Organometallics","2016","35","23","3959","","10.1021/acs.organomet.6b00752","","","0.71075","MoKα","","0.0694","0.0426","","","0.1012","0.1191","","","","","","0.981","","","","has coordinates","189948","2020-10-21","18:00:00",""
"4086783","18.121","0.004","14.703","0.003","20.717","0.005","90","","90","","90","","5520","2","150","","150","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C33 H23 F6 P -","- C33 H23 F6 P -","- C264 H184 F48 P8 -","8","1","","Iwai, Tomohiro; Tanaka, Ryotaro; Sawamura, Masaya","Synthesis, Coordination Properties, and Catalytic Application of Triarylmethane-Monophosphines","Organometallics","2016","35","23","3959","","10.1021/acs.organomet.6b00752","","","0.71075","MoKα","","0.1361","0.0909","","","0.1331","0.1491","","","","","","1.193","","","","has coordinates","189948","2020-10-21","18:00:00",""
"4086784","10.8081","0.0015","11.035","0.002","11.218","0.002","85.096","0.011","65.459","0.008","67.681","0.008","1121.7","0.3","150","","150","","","","","","","","","3","P -1","-P 1","2","","","","- C31 H23 P -","- C31 H23 P -","- C62 H46 P2 -","2","1","","Iwai, Tomohiro; Tanaka, Ryotaro; Sawamura, Masaya","Synthesis, Coordination Properties, and Catalytic Application of Triarylmethane-Monophosphines","Organometallics","2016","35","23","3959","","10.1021/acs.organomet.6b00752","","","0.71075","MoKα","","0.0489","0.0385","","","0.0825","0.088","","","","","","1.037","","","","has coordinates","189948","2020-10-21","18:00:00",""
"4086785","9.2823","0.0015","9.1979","0.0015","31.679","0.005","90","","90.033","0.003","90","","2704.7","0.8","150","","150","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C34 H30 Cl P Pd -","- C34 H30 Cl P Pd -","- C136 H120 Cl4 P4 Pd4 -","4","1","","Iwai, Tomohiro; Tanaka, Ryotaro; Sawamura, Masaya","Synthesis, Coordination Properties, and Catalytic Application of Triarylmethane-Monophosphines","Organometallics","2016","35","23","3959","","10.1021/acs.organomet.6b00752","","","0.71075","MoKα","","0.0621","0.0464","","","0.0999","0.1089","","","","","","1.067","","","","has coordinates","189948","2020-10-21","18:00:00",""
"4086786","12.0788","0.0012","12.4978","0.0016","13.3752","0.0015","69.029","0.007","65.152","0.007","74.163","0.009","1692.8","0.4","170","","170","","","","","","","","","6","P -1","-P 1","2","","","","- C37 H36 Cl3 O2 P Pd -","- C37 H36 Cl3 O2 P Pd -","- C74 H72 Cl6 O4 P2 Pd2 -","2","1","","Iwai, Tomohiro; Tanaka, Ryotaro; Sawamura, Masaya","Synthesis, Coordination Properties, and Catalytic Application of Triarylmethane-Monophosphines","Organometallics","2016","35","23","3959","","10.1021/acs.organomet.6b00752","","","0.71075","MoKα","","0.043","0.0378","","","0.0964","0.1005","","","","","","1.027","","","","has coordinates,has disorder","189948","2020-10-21","18:00:00",""
"4086787","9.527","0.0017","10.1421","0.0017","36.282","0.007","90","","91.731","0.003","90","","3504.1","1.1","150","","150","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C37 H30 Cl3 F6 P Pd -","- C37 H30 Cl3 F6 P Pd -","- C148 H120 Cl12 F24 P4 Pd4 -","4","1","","Iwai, Tomohiro; Tanaka, Ryotaro; Sawamura, Masaya","Synthesis, Coordination Properties, and Catalytic Application of Triarylmethane-Monophosphines","Organometallics","2016","35","23","3959","","10.1021/acs.organomet.6b00752","","","0.71075","MoKα","","0.0649","0.0494","","","0.1127","0.1216","","","","","","1.093","","","","has coordinates,has disorder","189948","2020-10-21","18:00:00",""
"4086788","10.865","0.002","29.907","0.005","16.948","0.003","90","","99.789","0.002","90","","5426.9","1.7","150","","150","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C34 H28 Cl P Pd -","- C34 H28 Cl P Pd -","- C272 H224 Cl8 P8 Pd8 -","8","2","","Iwai, Tomohiro; Tanaka, Ryotaro; Sawamura, Masaya","Synthesis, Coordination Properties, and Catalytic Application of Triarylmethane-Monophosphines","Organometallics","2016","35","23","3959","","10.1021/acs.organomet.6b00752","","","0.71075","MoKα","","0.0886","0.0566","","","0.1203","0.1396","","","","","","1.041","","","","has coordinates,has disorder","189948","2020-10-21","18:00:00",""
"4086789","10.732","0.002","11.145","0.002","14.509","0.003","102.877","0.003","93.952","0.0019","111.326","0.0019","1554.3","0.5","150","","150","","","","","","","","","5","P -1","-P 1","2","","","","- C36 H27 F6 P Pd -","- C36 H27 F6 P Pd -","- C72 H54 F12 P2 Pd2 -","2","1","","Iwai, Tomohiro; Tanaka, Ryotaro; Sawamura, Masaya","Synthesis, Coordination Properties, and Catalytic Application of Triarylmethane-Monophosphines","Organometallics","2016","35","23","3959","","10.1021/acs.organomet.6b00752","","","0.71075","MoKα","","0.0532","0.0429","","","0.094","0.1004","","","","","","1.043","","","","has coordinates,has disorder","189948","2020-10-21","18:00:00",""
"4086790","11.086","0.001","17.6005","0.0013","14.167","0.0018","90","","108.223","0.005","90","","2625.6","0.5","150","","150","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C34 H23 P Pd -","- C34 H23 P Pd -","- C136 H92 P4 Pd4 -","4","1","","Iwai, Tomohiro; Tanaka, Ryotaro; Sawamura, Masaya","Synthesis, Coordination Properties, and Catalytic Application of Triarylmethane-Monophosphines","Organometallics","2016","35","23","3959","","10.1021/acs.organomet.6b00752","","","0.71075","MoKα","","0.0413","0.0364","","","0.0896","0.0932","","","","","","1.058","","","","has coordinates,has disorder","189948","2020-10-21","18:00:00",""
"4086791","11.0197","0.0011","15.6825","0.0015","19.873","0.002","90","","90","","90","","3434.4","0.6","230","","230","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C40 H31 Cl F6 P Rh -","- C40 H31 Cl F6 P Rh -","- C160 H124 Cl4 F24 P4 Rh4 -","4","1","","Iwai, Tomohiro; Tanaka, Ryotaro; Sawamura, Masaya","Synthesis, Coordination Properties, and Catalytic Application of Triarylmethane-Monophosphines","Organometallics","2016","35","23","3959","","10.1021/acs.organomet.6b00752","","","0.71075","MoKα","","0.0266","0.0251","","","0.056","0.0571","","","","","","1.056","","","","has coordinates","189948","2020-10-21","18:00:00",""
"4086792","9.566","0.002","36.586","0.008","9.731","0.002","90","","118.6","0.003","90","","2990.1","1.1","180","","180","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C38 H31 Cl P Rh -","- C38 H31 Cl P Rh -","- C152 H124 Cl4 P4 Rh4 -","4","1","","Iwai, Tomohiro; Tanaka, Ryotaro; Sawamura, Masaya","Synthesis, Coordination Properties, and Catalytic Application of Triarylmethane-Monophosphines","Organometallics","2016","35","23","3959","","10.1021/acs.organomet.6b00752","","","0.71075","MoKα","","0.0659","0.0419","","","0.0644","0.0696","","","","","","0.844","","","","has coordinates","189948","2020-10-21","18:00:00",""
"4086793","9.4279","0.0015","14.993","0.002","19.481","0.003","90","","90.405","0.002","90","","2753.6","0.7","150","","150","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C38 H30 P Rh -","- C38 H30 P Rh -","- C152 H120 P4 Rh4 -","4","1","","Iwai, Tomohiro; Tanaka, Ryotaro; Sawamura, Masaya","Synthesis, Coordination Properties, and Catalytic Application of Triarylmethane-Monophosphines","Organometallics","2016","35","23","3959","","10.1021/acs.organomet.6b00752","","","0.71075","MoKα","","0.0559","0.0438","","","0.1003","0.1082","","","","","","1.061","","","","has coordinates","189948","2020-10-21","18:00:00",""
"4086794","12.818","0.005","14.214","0.005","17.963","0.005","106.327","0.005","95.056","0.005","116.094","0.005","2734.2","1.6","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C59 H45 F5 Ir N8 O -","- C59 H45 F5 Ir N8 O -","- C118 H90 F10 Ir2 N16 O2 -","2","1","","Mao, Hui-Ting; Zang, Chun-Xiu; Wen, Li−Li; Shan, Guo-Gang; Sun, Hai-Zhu; Xie, Wen-Fa; Su, Zhong-Min","Ir(III) Phosphors Modified with Fluorine Atoms in Pyridine-1,2,4-triazolyl Ligands for Efficient OLEDs Possessing Low-Efficiency Roll-off","Organometallics","2016","35","22","3870","","10.1021/acs.organomet.6b00753","","","0.71069","MoKα","","0.071","0.0474","","","0.1308","0.1466","","","","","","1.08","","","","has coordinates","188899","2020-10-21","18:00:00",""
"4086795","12.0238","0.001","16.5697","0.0017","17.8604","0.0017","102.167","0.005","104.468","0.002","96.96","0.002","3310.8","0.5","113","","113","","","","","","","","","4","P -1","-P 1","2","","","","- C40 H44 Hf N2 -","- C40 H44 Hf N2 -","- C160 H176 Hf4 N8 -","4","2","","Lopez, Michael J.; Kondo, Ai; Nagae, Haruki; Yamamoto, Koji; Tsurugi, Hayato; Mashima, Kazushi","C(sp3)‒H Alkenylation Catalyzed by Cationic Alkylhafnium Complexes: Stereoselective Synthesis of Trisubstituted Alkenes from 2,6-Dimethylpyridines and Internal Alkynes","Organometallics","2016","35","22","3816","","10.1021/acs.organomet.6b00655","","","0.71075","MoKα","","0.0616","0.0434","","","0.1136","0.1549","","","","","","1.207","","","","has coordinates","188900","2020-10-21","18:00:00",""
"4086796","9.601","0.013","11.974","0.014","13.526","0.016","91.855","0.014","100.13","0.03","100.99","0.02","1499","3","113","","113","","","","","","","","","5","P -1","-P 1","2","","","","- C36 H38 Hf N2 O -","- C36 H38 Hf N2 O -","- C72 H76 Hf2 N4 O2 -","2","1","","Lopez, Michael J.; Kondo, Ai; Nagae, Haruki; Yamamoto, Koji; Tsurugi, Hayato; Mashima, Kazushi","C(sp3)‒H Alkenylation Catalyzed by Cationic Alkylhafnium Complexes: Stereoselective Synthesis of Trisubstituted Alkenes from 2,6-Dimethylpyridines and Internal Alkynes","Organometallics","2016","35","22","3816","","10.1021/acs.organomet.6b00655","","","0.71075","MoKα","","0.044","0.041","","","0.1019","0.1071","","","","","","0.924","","","","has coordinates","188900","2020-10-21","18:00:00",""
"4086797","9.46","0.01","12.221","0.012","13.656","0.013","90.9","0.014","100.097","0.009","101.295","0.016","1522","3","113","","113","","","","","","","","","4","P -1","-P 1","2","","","","- C37 H39 Hf N3 -","- C37 H39 Hf N3 -","- C74 H78 Hf2 N6 -","2","1","","Lopez, Michael J.; Kondo, Ai; Nagae, Haruki; Yamamoto, Koji; Tsurugi, Hayato; Mashima, Kazushi","C(sp3)‒H Alkenylation Catalyzed by Cationic Alkylhafnium Complexes: Stereoselective Synthesis of Trisubstituted Alkenes from 2,6-Dimethylpyridines and Internal Alkynes","Organometallics","2016","35","22","3816","","10.1021/acs.organomet.6b00655","","","0.71075","MoKα","","0.0413","0.0363","","","0.0887","0.1058","","","","","","1.129","","","","has coordinates","188900","2020-10-21","18:00:00",""
"4086798","11.367","0.007","17.814","0.011","16.414","0.01","90","","92.835","0.009","90","","3320","4","113","","113","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C41 H41 Hf N3 -","- C41 H41 Hf N3 -","- C164 H164 Hf4 N12 -","4","1","","Lopez, Michael J.; Kondo, Ai; Nagae, Haruki; Yamamoto, Koji; Tsurugi, Hayato; Mashima, Kazushi","C(sp3)‒H Alkenylation Catalyzed by Cationic Alkylhafnium Complexes: Stereoselective Synthesis of Trisubstituted Alkenes from 2,6-Dimethylpyridines and Internal Alkynes","Organometallics","2016","35","22","3816","","10.1021/acs.organomet.6b00655","","","0.71075","MoKα","","0.0543","0.0491","","","0.1169","0.1209","","","","","","1.19","","","","has coordinates","188900","2020-10-21","18:00:00",""
"4086799","14.8611","0.0004","13.471","0.0002","15.9249","0.0004","90","","93.81","0.001","90","","3181.02","0.13","133","2","133","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C29 H58 Mg2 O4 -","- C29 H58 Mg2 O4 -","- C116 H232 Mg8 O16 -","4","2","","Fischer, Reinald; Görls, Helmar; Westerhausen, Matthias","Reactivity Studies of [(thf)2Mg{μ-C(CH3)2C2H4C(CH3)2}]2: Scrambling Reactions and Diverse Reactions with Dichlorophenylphosphane","Organometallics","2016","35","22","3861","","10.1021/acs.organomet.6b00743","","","0.71073","MoKα","","0.0766","0.0536","","","0.1118","0.124","","","","","","1.067","","","","has coordinates,has disorder","188901","2020-10-21","18:00:00",""
"4086800","11.8438","0.0003","11.954","0.0003","10.761","0.0003","90","","90","","90","","1523.55","0.07","143","2","143","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C14 H22 Cl P S -","- C14 H22 Cl P S -","- C56 H88 Cl4 P4 S4 -","4","1","","Fischer, Reinald; Görls, Helmar; Westerhausen, Matthias","Reactivity Studies of [(thf)2Mg{μ-C(CH3)2C2H4C(CH3)2}]2: Scrambling Reactions and Diverse Reactions with Dichlorophenylphosphane","Organometallics","2016","35","22","3861","","10.1021/acs.organomet.6b00743","","","0.71073","MoKα","","0.0469","0.0385","","","0.0839","0.0884","","","","","","1.104","","","","has coordinates","188901","2020-10-21","18:00:00",""
"4086801","8.2833","0.0001","12.1905","0.0002","14.026","0.0002","90","","90","","90","","1416.31","0.04","133","2","133","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C14 H21 P S -","- C14 H21 P S -","- C56 H84 P4 S4 -","4","1","","Fischer, Reinald; Görls, Helmar; Westerhausen, Matthias","Reactivity Studies of [(thf)2Mg{μ-C(CH3)2C2H4C(CH3)2}]2: Scrambling Reactions and Diverse Reactions with Dichlorophenylphosphane","Organometallics","2016","35","22","3861","","10.1021/acs.organomet.6b00743","","","0.71073","MoKα","","0.0332","0.0312","","","0.0718","0.073","","","","","","1.097","","","","has coordinates,has disorder","188901","2020-10-21","18:00:00",""
"4086802","16.4073","0.0003","8.0918","0.0002","16.7052","0.0003","90","","114.488","0.001","90","","2018.36","0.07","133","2","133","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C20 H26 P2 S2 -","- C20 H26 P2 S2 -","- C80 H104 P8 S8 -","4","1","","Fischer, Reinald; Görls, Helmar; Westerhausen, Matthias","Reactivity Studies of [(thf)2Mg{μ-C(CH3)2C2H4C(CH3)2}]2: Scrambling Reactions and Diverse Reactions with Dichlorophenylphosphane","Organometallics","2016","35","22","3861","","10.1021/acs.organomet.6b00743","","","0.71073","MoKα","","0.0509","0.0453","","","0.1063","0.1092","","","","","","1.119","","","","has coordinates","188901","2020-10-21","18:00:00",""
"4086803","8.0198","0.0007","9.2558","0.0008","11.4204","0.0009","111.061","0.005","93.96","0.005","112.432","0.005","710.04","0.11","133","2","133","2","","","","","","","","4","P -1","-P 1","2","","","","- C28 H42 P2 S2 -","- C28 H44 P2 S2 -","- C28 H44 P2 S2 -","1","0.5","","Fischer, Reinald; Görls, Helmar; Westerhausen, Matthias","Reactivity Studies of [(thf)2Mg{μ-C(CH3)2C2H4C(CH3)2}]2: Scrambling Reactions and Diverse Reactions with Dichlorophenylphosphane","Organometallics","2016","35","22","3861","","10.1021/acs.organomet.6b00743","","","0.71073","MoKα","","0.0946","0.0698","","","0.1736","0.192","","","","","","1.072","","","","has coordinates","188901","2020-10-21","18:00:00",""
"4086804","11.4796","0.0014","8.5686","0.001","15.8059","0.0015","90","","112.029","0.007","90","","1441.2","0.3","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H14 N2 O2 -","- C20 H14 N2 O2 -","- C80 H56 N8 O8 -","4","1","","Raya-Barón, Álvaro; Ortuño, Manuel A.; Oña-Burgos, Pascual; Rodríguez-Diéguez, Antonio; Langer, Robert; Cramer, Christopher J.; Kuzu, Istemi; Fernández, Ignacio","Efficient Hydrosilylation of Acetophenone with a New Anthraquinonic Amide-Based Iron Precatalyst","Organometallics","2016","","","","","10.1021/acs.organomet.6b00765","","","0.71073","MoKα","","0.0778","0.0512","","","0.1108","0.1199","","","","","","0.919","","","","has coordinates","188998","2020-10-21","18:00:00",""
"4086805","11.87","0.001","13.363","0.001","14.023","0.001","62.57","0.01","71.99","0.01","67.97","0.01","1804.8","0.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C46 H38 Fe N4 O5.5 -","- C46 H38 Fe N4 O5.5 -","- C92 H76 Fe2 N8 O11 -","2","1","","Raya-Barón, Álvaro; Ortuño, Manuel A.; Oña-Burgos, Pascual; Rodríguez-Diéguez, Antonio; Langer, Robert; Cramer, Christopher J.; Kuzu, Istemi; Fernández, Ignacio","Efficient Hydrosilylation of Acetophenone with a New Anthraquinonic Amide-Based Iron Precatalyst","Organometallics","2016","","","","","10.1021/acs.organomet.6b00765","","","0.71073","MoKα","","0.0994","0.0611","","","0.1332","0.148","","","","","","0.928","","","","has coordinates,has disorder","188998","2020-10-21","18:00:00",""
"4086806","12.144","0.001","22.421","0.001","12.28","0.001","90","","108.03","0.01","90","","3179.4","0.4","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C40.5 H27 Cl Fe N4 O4 -","- C40.5 H27 Cl Fe N4 O4 -","- C162 H108 Cl4 Fe4 N16 O16 -","4","1","","Raya-Barón, Álvaro; Ortuño, Manuel A.; Oña-Burgos, Pascual; Rodríguez-Diéguez, Antonio; Langer, Robert; Cramer, Christopher J.; Kuzu, Istemi; Fernández, Ignacio","Efficient Hydrosilylation of Acetophenone with a New Anthraquinonic Amide-Based Iron Precatalyst","Organometallics","2016","","","","","10.1021/acs.organomet.6b00765","","","0.71073","MoKα","","0.0355","0.03","","","0.0764","0.0787","","","","","","1.055","","","","has coordinates","188998","2020-10-21","18:00:00",""
"4086807","8.516","0.0001","11.9625","0.0002","14.0994","0.0003","99.675","0.001","100.66","0.001","103.827","0.001","1336.31","0.04","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C23 H40 Ni O2 P2 S2 -","- C23 H40 Ni O2 P2 S2 -","- C46 H80 Ni2 O4 P4 S4 -","2","1","","Ma, Qiang-Qiang; Liu, Ting; Adhikary, Anubendu; Zhang, Jie; Krause, Jeanette A.; Guan, Hairong","Using CS2 to Probe the Mechanistic Details of Decarboxylation of Bis(phosphinite)-Ligated Nickel Pincer Formate Complexes","Organometallics","2016","","","","","10.1021/acs.organomet.6b00759","","","1.54178","CuKα","","0.0382","0.0328","","","0.0875","0.0911","","","","","","1.031","","","","has coordinates","189144","2020-10-21","18:00:00",""
"4086808","10.2877","0.0002","12.4849","0.0003","18.357","0.0004","90","","90.553","0.001","90","","2357.68","0.09","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C19 H32 Ni O2 P2 S2 -","- C19 H32 Ni O2 P2 S2 -","- C76 H128 Ni4 O8 P8 S8 -","4","1","","Ma, Qiang-Qiang; Liu, Ting; Adhikary, Anubendu; Zhang, Jie; Krause, Jeanette A.; Guan, Hairong","Using CS2 to Probe the Mechanistic Details of Decarboxylation of Bis(phosphinite)-Ligated Nickel Pincer Formate Complexes","Organometallics","2016","","","","","10.1021/acs.organomet.6b00759","","","1.54178","CuKα","","0.0384","0.0311","","","0.0824","0.087","","","","","","1.038","","","","has coordinates","189144","2020-10-21","18:00:00",""
"4086809","10.6325","0.0006","12.3889","0.0007","12.828","0.0008","61.4248","0.0008","73.9864","0.0009","77.9876","0.0009","1420.54","0.14","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","","","- C30 H18 F10 O4 P Re -","- C30 H18 F10 O4 P Re -","- C60 H36 F20 O8 P2 Re2 -","2","1","","Utegenov, Kamil I.; Krivykh, Vasilii V.; Mazhuga, Andrei M.; Chudin, Oleg S.; Smol'yakov, Aleksander F.; Dolgushin, Fedor M.; Goryunov, Evgenii I.; Ustynyuk, Nikolai A.","Reactions of Manganese and Rhenium Vinylidene Complexes with Hydrophosphoryl Compounds","Organometallics","2016","35","23","3903","3913","10.1021/acs.organomet.6b00626","","","0.71073","MoKα","","0.0147","0.0138","","","0.0325","0.0328","","","","","","1.089","","","","has coordinates","189194","2020-10-21","18:00:00",""
"4086810","6.8861","0.0006","18.3729","0.0014","18.269","0.0016","90","","96.509","0.005","90","","2296.5","0.3","120","2","120","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C27 H22 O2 P Re S -","- C27 H22 O2 P Re S -","- C108 H88 O8 P4 Re4 S4 -","4","1","","Utegenov, Kamil I.; Krivykh, Vasilii V.; Mazhuga, Andrei M.; Chudin, Oleg S.; Smol'yakov, Aleksander F.; Dolgushin, Fedor M.; Goryunov, Evgenii I.; Ustynyuk, Nikolai A.","Reactions of Manganese and Rhenium Vinylidene Complexes with Hydrophosphoryl Compounds","Organometallics","2016","35","23","3903","3913","10.1021/acs.organomet.6b00626","","","0.71073","MoKα","","0.0235","0.0224","","","0.0509","0.0514","","","","","","1.137","","","","has coordinates","189194","2020-10-21","18:00:00",""
"4086813","15.2403","0.0006","13.9028","0.0006","16.4382","0.0007","90","","111.099","0.0007","90","","3249.5","0.2","233","2","233","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C31 H38 B Mo N9 O3 -","- C31 H38 B Mo N9 O3 -","- C124 H152 B4 Mo4 N36 O12 -","4","1","","Myers, Jeffery T.; Dakermanji, Steven J.; Chastanet, Timothy R.; Shivokevich, Philip J.; Strausberg, Laura J.; Sabat, Michal; Myers, William H.; Harman, W. Dean","4-(Dimethylamino)pyridine (DMAP) as an Acid-Modulated Donor Ligand for PAH Dearomatization","Organometallics","2016","36","3","543","","10.1021/acs.organomet.6b00780","","","0.71073","MoKα","","0.0774","0.046","","","0.1197","0.1359","","","","","","1.04","","","","has coordinates","193617","2020-10-21","18:00:00",""
"4086814","10.12742","0.00019","12.053","0.0003","15.6363","0.0004","90","","98.3709","0.0019","90","","1888.32","0.08","150","2","150","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C23 H21 N Si -","- C23 H21 N Si -","- C92 H84 N4 Si4 -","4","1","","Omann, Lukas; Oestreich, Martin","Catalytic Access to Indole-Fused Benzosiloles by 2-Fold Electrophilic C‒H Silylation with Dihydrosilanes","Organometallics","2016","36","4","767","","10.1021/acs.organomet.6b00801","","x-ray","1.54184","CuKα","","0.0587","0.0519","","","0.1336","0.1417","","","","","","1.07","","","","has coordinates","193613","2020-10-21","18:00:00",""
"4086815","8.30541","0.00006","24.67353","0.00018","38.1106","0.0003","90","","90","","90","","7809.77","0.1","150","2","150","0.1","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C26 H21 N Si -","- C26 H21 N Si -","- C416 H336 N16 Si16 -","16","2","","Omann, Lukas; Oestreich, Martin","Catalytic Access to Indole-Fused Benzosiloles by 2-Fold Electrophilic C‒H Silylation with Dihydrosilanes","Organometallics","2016","36","4","767","","10.1021/acs.organomet.6b00801","","x-ray","1.54184","CuKα","","0.0366","0.0325","","","0.0848","0.0884","","","","","","1.029","","","","has coordinates","193613","2020-10-21","18:00:00",""
"4086828","13.3961","0.0018","15.718","0.002","14.2278","0.0019","90","","91.5897","0.0018","90","","2994.7","0.7","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C30 H37 Cr N5 O5.5 -","- C30 H37 Cr N5 O5.5 -","- C120 H148 Cr4 N20 O22 -","4","1","","Tomov, Atanas K.; Nobbs, James D.; Chirinos, Juan J.; Saini, Prabhjot K.; Malinowski, Robert; Ho, Sarah K. Y.; Young, Craig T.; McGuinness, David S.; White, Andrew J. P.; Elsegood, Mark R. J.; Britovsek, George J. P.","Alternating α-Olefin Distributions via Single and Double Insertions in Chromium-Catalyzed Ethylene Oligomerization","Organometallics","2016","36","3","510","","10.1021/acs.organomet.6b00671","","","0.71073","MoKα","","0.1003","0.0513","","","0.1336","0.1677","","","","","","1.072","","","","has coordinates,has disorder","193626","2020-10-21","18:00:00",""
"4086829","34.724","0.007","10.973","0.002","14.001","0.003","90","","90.03","0.003","90","","5334.8","1.8","150","2","150","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C22 H28 Cl3 Cr N6 O2 S -","- C22 H28 Cl3 Cr N6 O2 S -","- C176 H224 Cl24 Cr8 N48 O16 S8 -","8","2","","Tomov, Atanas K.; Nobbs, James D.; Chirinos, Juan J.; Saini, Prabhjot K.; Malinowski, Robert; Ho, Sarah K. Y.; Young, Craig T.; McGuinness, David S.; White, Andrew J. P.; Elsegood, Mark R. J.; Britovsek, George J. P.","Alternating α-Olefin Distributions via Single and Double Insertions in Chromium-Catalyzed Ethylene Oligomerization","Organometallics","2016","36","3","510","","10.1021/acs.organomet.6b00671","","","0.8462","synchrotron","","0.1124","0.0808","","","0.1983","0.2312","","","","","","1.018","","","","has coordinates,has disorder","193626","2020-10-21","18:00:00",""
"4086830","8.6125","0.0003","10.0746","0.0004","23.943","0.0009","90","","97.011","0.003","90","","2061.94","0.13","173","","173","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C16 H27 Cl3 Cr N5 -","- C16 H27 Cl3 Cr N5 -","- C64 H108 Cl12 Cr4 N20 -","4","1","","Tomov, Atanas K.; Nobbs, James D.; Chirinos, Juan J.; Saini, Prabhjot K.; Malinowski, Robert; Ho, Sarah K. Y.; Young, Craig T.; McGuinness, David S.; White, Andrew J. P.; Elsegood, Mark R. J.; Britovsek, George J. P.","Alternating α-Olefin Distributions via Single and Double Insertions in Chromium-Catalyzed Ethylene Oligomerization","Organometallics","2016","36","3","510","","10.1021/acs.organomet.6b00671","","","0.71073","MoKα","","0.0963","0.0615","","","0.1463","0.1758","","","","","","1.045","","","","has coordinates","193626","2020-10-21","18:00:00",""
"4086831","13.2253","0.0004","13.2985","0.0004","14.7851","0.0005","83.657","0.003","65.315","0.003","82.386","0.003","2337.5","0.14","173","","173","","","","","","","","","8","P -1","-P 1","2","","","","- C30 H45 Cl2 Cr F6 N5 O4.5 Sb -","- C16 H15 Cl2 Cr F6 N5 O Sb -","- C32 H30 Cl4 Cr2 F12 N10 O2 Sb2 -","2","1","","Tomov, Atanas K.; Nobbs, James D.; Chirinos, Juan J.; Saini, Prabhjot K.; Malinowski, Robert; Ho, Sarah K. Y.; Young, Craig T.; McGuinness, David S.; White, Andrew J. P.; Elsegood, Mark R. J.; Britovsek, George J. P.","Alternating α-Olefin Distributions via Single and Double Insertions in Chromium-Catalyzed Ethylene Oligomerization","Organometallics","2016","36","3","510","","10.1021/acs.organomet.6b00671","","","0.71073","MoKα","","0.1014","0.0649","","","0.1815","0.1985","","","","","","0.995","","","","has coordinates,has disorder","193626","2020-10-21","18:00:00",""
"4086832","13.9192","0.0015","9.5481","0.0009","26.26","0.003","90","","100.854","0.009","90","","3427.6","0.6","173","","173","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C31 H39 Cl3 Cr N7 O2 -","- C31 H39 Cl3 Cr N7 O2 -","- C124 H156 Cl12 Cr4 N28 O8 -","4","1","","Tomov, Atanas K.; Nobbs, James D.; Chirinos, Juan J.; Saini, Prabhjot K.; Malinowski, Robert; Ho, Sarah K. Y.; Young, Craig T.; McGuinness, David S.; White, Andrew J. P.; Elsegood, Mark R. J.; Britovsek, George J. P.","Alternating α-Olefin Distributions via Single and Double Insertions in Chromium-Catalyzed Ethylene Oligomerization","Organometallics","2016","36","3","510","","10.1021/acs.organomet.6b00671","","","1.54248","CuKα","","0.1243","0.0861","","","0.1976","0.2152","","","","","","1.173","","","","has coordinates","193626","2020-10-21","18:00:00",""
"4086833","12.9573","0.0004","14.086","0.0003","21.3165","0.0006","90","","106.353","0.003","90","","3733.22","0.18","173","","173","","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C34 H43 Cl2 Cr F6 N5 O3 Sb -","- C34 H43 Cl2 Cr F6 N5 O3 Sb -","- C136 H172 Cl8 Cr4 F24 N20 O12 Sb4 -","4","1","","Tomov, Atanas K.; Nobbs, James D.; Chirinos, Juan J.; Saini, Prabhjot K.; Malinowski, Robert; Ho, Sarah K. Y.; Young, Craig T.; McGuinness, David S.; White, Andrew J. P.; Elsegood, Mark R. J.; Britovsek, George J. P.","Alternating α-Olefin Distributions via Single and Double Insertions in Chromium-Catalyzed Ethylene Oligomerization","Organometallics","2016","36","3","510","","10.1021/acs.organomet.6b00671","","","0.71073","MoKα","","0.1105","0.0738","","","0.1857","0.2198","","","","","","1.063","","","","has coordinates,has disorder","193626","2020-10-21","18:00:00",""
"4086834","9.048","0.004","10.827","0.005","13.76","0.006","90.114","0.007","90.01","0.007","112.233","0.006","1247.7","1","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C15 H39 Ge N O3 Si4 -","- C15 H39 Ge N O3 Si4 -","- C30 H78 Ge2 N2 O6 Si8 -","2","1","","Aghazadeh Meshgi, Mohammad; Baumgartner, Judith; Jouikov, Viatcheslav V.; Marschner, Christoph","Electron Transfer and Modification of Oligosilanylsilatranes and Related Derivatives","Organometallics","2016","","","","","10.1021/acs.organomet.6b00786","","","0.71073","MoKα","","0.1191","0.117","","","0.3013","0.302","","","","","","1.246","","","","has coordinates,has disorder","189668","2020-10-21","18:00:00",""
"4086835","11.335","0.002","20.897","0.004","15.215","0.003","90","","99.1","0.004","90","","3558.6","1.2","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C24 H54 Ge K N O9 Si3 -","- C24 H54 Ge K N O9 Si3 -","- C96 H216 Ge4 K4 N4 O36 Si12 -","4","1","","Aghazadeh Meshgi, Mohammad; Baumgartner, Judith; Jouikov, Viatcheslav V.; Marschner, Christoph","Electron Transfer and Modification of Oligosilanylsilatranes and Related Derivatives","Organometallics","2016","","","","","10.1021/acs.organomet.6b00786","","","0.71073","MoKα","","0.0969","0.0838","","","0.2161","0.2262","","","","","","1.073","","","","has coordinates,has disorder","189668","2020-10-21","18:00:00",""
"4086836","12.71","0.003","13.762","0.003","14.195","0.003","74.801","0.004","67.356","0.003","80.458","0.004","2205.5","0.9","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H66 N2 O6 Si10 -","- C26 H66 N2 O6 Si10 -","- C52 H132 N4 O12 Si20 -","2","1","","Aghazadeh Meshgi, Mohammad; Baumgartner, Judith; Jouikov, Viatcheslav V.; Marschner, Christoph","Electron Transfer and Modification of Oligosilanylsilatranes and Related Derivatives","Organometallics","2016","","","","","10.1021/acs.organomet.6b00786","","","0.71073","MoKα","","0.0392","0.0358","","","0.0994","0.1018","","","","","","1.076","","","","has coordinates","189668","2020-10-21","18:00:00",""
"4086837","21.512","0.005","10.6939","0.0019","22.77","0.004","90","","115.423","0.006","90","","4730.9","1.6","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C32 H72 N2 O6 Si10 -","- C32 H72 N2 O6 Si10 -","- C128 H288 N8 O24 Si40 -","4","0.5","","Aghazadeh Meshgi, Mohammad; Baumgartner, Judith; Jouikov, Viatcheslav V.; Marschner, Christoph","Electron Transfer and Modification of Oligosilanylsilatranes and Related Derivatives","Organometallics","2016","","","","","10.1021/acs.organomet.6b00786","","","0.71073","MoKα","","0.0585","0.0526","","","0.1171","0.1204","","","","","","1.184","","","","has coordinates","189668","2020-10-21","18:00:00",""
"4086840","8.8311","0.0003","13.243","0.0004","13.8378","0.0004","90","","90","","90","","1618.33","0.09","90","2","90","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C16 H27 N O W -","- C16 H27 N O W -","- C64 H108 N4 O4 W4 -","4","1","","Baillie, Rhett A.; Patrick, Brian O.; Legzdins, Peter; Rosenfeld, Devon C.","Functionalization of Methane Initiated by Cp*W(NO)(CH2CMe3)(η3-CH2CHCMe2)","Organometallics","2016","","","","","10.1021/acs.organomet.6b00738","","x-ray","0.71073","MoKα","","0.0505","0.0476","","","0.1275","0.1312","","","","","","1.081","","","","has coordinates","189670","2020-10-21","18:00:00",""
"4086841","11.3415","0.0005","8.9764","0.0004","11.523","0.0005","90","","115.552","0.002","90","","1058.37","0.08","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C21 H35 N O2 W -","- C21 H35 N O2 W -","- C42 H70 N2 O4 W2 -","2","1","","Baillie, Rhett A.; Patrick, Brian O.; Legzdins, Peter; Rosenfeld, Devon C.","Functionalization of Methane Initiated by Cp*W(NO)(CH2CMe3)(η3-CH2CHCMe2)","Organometallics","2016","","","","","10.1021/acs.organomet.6b00738","","x-ray","0.71073","MoKα","","0.0187","0.0177","","","0.0439","0.0446","","","","","","1.051","","","","has coordinates","189670","2020-10-21","18:00:00",""
"4086842","16.0573","0.0019","14.9969","0.0017","15.4854","0.0018","90","","114.412","0.002","90","","3395.6","0.7","90","2","90","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C17 H27 N O2 W -","- C17 H27 N O2 W -","- C136 H216 N8 O16 W8 -","8","2","","Baillie, Rhett A.; Patrick, Brian O.; Legzdins, Peter; Rosenfeld, Devon C.","Functionalization of Methane Initiated by Cp*W(NO)(CH2CMe3)(η3-CH2CHCMe2)","Organometallics","2016","","","","","10.1021/acs.organomet.6b00738","","x-ray","0.71073","MoKα","","0.0659","0.0382","","","0.0814","0.093","","","","","","1.086","","","","has coordinates,has disorder","189670","2020-10-21","18:00:00",""
"4086843","7.6755","0.0011","9.6081","0.0014","12.8443","0.0018","88.56","0.003","76.212","0.002","78.457","0.002","901.1","0.2","90","2","90","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H27 N O3 W -","- C18 H27 N O3 W -","- C36 H54 N2 O6 W2 -","2","1","","Baillie, Rhett A.; Patrick, Brian O.; Legzdins, Peter; Rosenfeld, Devon C.","Functionalization of Methane Initiated by Cp*W(NO)(CH2CMe3)(η3-CH2CHCMe2)","Organometallics","2016","","","","","10.1021/acs.organomet.6b00738","","x-ray","0.71073","MoKα","","0.0151","0.0144","","","0.0344","0.0346","","","","","","1.06","","","","has coordinates","189670","2020-10-21","18:00:00",""
"4086844","9.5711","0.0004","9.6143","0.0004","24.3692","0.0009","90","","96.504","0.001","90","","2228.01","0.16","90","2","90","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C22 H35 N O3 W -","- C22 H35 N O3 W -","- C88 H140 N4 O12 W4 -","4","1","","Baillie, Rhett A.; Patrick, Brian O.; Legzdins, Peter; Rosenfeld, Devon C.","Functionalization of Methane Initiated by Cp*W(NO)(CH2CMe3)(η3-CH2CHCMe2)","Organometallics","2016","","","","","10.1021/acs.organomet.6b00738","","x-ray","0.71073","MoKα","","0.0282","0.0234","","","0.0422","0.0432","","","","","","1.161","","","","has coordinates","189670","2020-10-21","18:00:00",""
"4086853","10.965","0.0004","12.6078","0.0003","19.5211","0.0006","90","","90","","90","","2698.69","0.14","100","2","100","2","","","","","","","","4","P c c n","-P 2ab 2ac","56","","","","- C28 H41 Ag N2 -","- C28 H41 Ag N2 -","- C112 H164 Ag4 N8 -","4","0.5","","Tate, Brandon K.; Jordan, Abraham J.; Bacsa, John; Sadighi, Joseph P.","Stable Mono- and Dinuclear Organosilver Complexes","Organometallics","2016","36","5","964","","10.1021/acs.organomet.6b00771","","x-ray","0.71073","MoKα","","0.0629","0.0468","","","0.1019","0.1091","","","","","","1.087","","","","has coordinates,has disorder","194868","2020-10-21","18:00:00",""
"4086854","24.156","0.007","12.24","0.004","29.519","0.009","90","","104.219","0.004","90","","8460","5","100","2","100","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C112 H162 Ag4 B2 F8 N8 -","- C112 H162 Ag4 B2 F8 N8 -","- C336 H486 Ag12 B6 F24 N24 -","3","0.75","","Tate, Brandon K.; Jordan, Abraham J.; Bacsa, John; Sadighi, Joseph P.","Stable Mono- and Dinuclear Organosilver Complexes","Organometallics","2016","36","5","964","","10.1021/acs.organomet.6b00771","","","0.71073","MoKα","","0.0389","0.0359","","","0.0877","0.0911","","","","","","1.049","","","","has coordinates,has disorder","194868","2020-10-21","18:00:00",""
"4086855","11.9647","0.0015","16.135","0.002","33.041","0.004","90","","91.299","0.002","90","","6376.9","1.4","90","2","90","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C56 H79 Ag2 F3 N4 O3 S -","- C56 H79 Ag2 F3 N4 O3 S -","- C224 H316 Ag8 F12 N16 O12 S4 -","4","1","","Tate, Brandon K.; Jordan, Abraham J.; Bacsa, John; Sadighi, Joseph P.","Stable Mono- and Dinuclear Organosilver Complexes","Organometallics","2016","36","5","964","","10.1021/acs.organomet.6b00771","","","0.71073","MoKα","","0.1855","0.135","","","0.2627","0.2834","","","","","","1.169","","","","has coordinates,has disorder","194868","2020-10-21","18:00:00",""
"4086856","10.22449","0.00011","16.3504","0.0002","20.3736","0.0003","86.8617","0.001","79.8545","0.001","88.8799","0.0009","3347.49","0.07","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C68 H97 Ag2 B F4 N4 O2 -","- C68 H97 Ag2 B F4 N4 O2 -","- C136 H194 Ag4 B2 F8 N8 O4 -","2","1","","Tate, Brandon K.; Jordan, Abraham J.; Bacsa, John; Sadighi, Joseph P.","Stable Mono- and Dinuclear Organosilver Complexes","Organometallics","2016","36","5","964","","10.1021/acs.organomet.6b00771","","","0.71073","MoKα","","0.0567","0.0438","","","0.1065","0.1127","","","","","","1.052","","","","has coordinates,has disorder","194868","2020-10-21","18:00:00",""
"4086857","12.50202","0.0002","31.8127","0.0005","17.2528","0.0003","90","","99.2266","0.0017","90","","6773.06","0.19","100","2","100.15","","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C70 H97 Ag2 B F4 N4 O2 -","- C70 H97 Ag2 B F4 N4 O2 -","- C280 H388 Ag8 B4 F16 N16 O8 -","4","2","","Tate, Brandon K.; Jordan, Abraham J.; Bacsa, John; Sadighi, Joseph P.","Stable Mono- and Dinuclear Organosilver Complexes","Organometallics","2016","36","5","964","","10.1021/acs.organomet.6b00771","","","0.71073","MoKα","","0.0638","0.051","","","0.1058","0.1117","","","","","","1.026","","","","has coordinates,has disorder","194868","2020-10-21","18:00:00",""
"4086858","11.1093","0.0004","11.4816","0.0004","16.5605","0.0005","76.372","0.001","74.651","0.001","81.645","0.001","1971.87","0.12","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C39 H54 Co N3 P Si2 -","- C39 H54 Co N3 P Si2 -","- C78 H108 Co2 N6 P2 Si4 -","2","1","","Ogawa, Takahiko; Ruddy, Adam J.; Sydora, Orson L.; Stradiotto, Mark; Turculet, Laura","Cobalt- and Iron-Catalyzed Isomerization‒Hydroboration of Branched Alkenes: Terminal Hydroboration with Pinacolborane and 1,3,2-Diazaborolanes","Organometallics","2016","","","","","10.1021/acs.organomet.6b00823","","x-ray","0.71073","MoKα","","0.0356","0.0295","","","0.0792","0.0851","","","","","","1.04","","","","has coordinates","189675","2020-10-21","18:00:00",""
"4086859","10.451","0.005","11.94","0.005","16.564","0.005","99.906","0.005","104.044","0.005","104.757","0.005","1877.8","1.3","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C32 H63 Co N4 P Si2 -","- C32 H63 Co N4 P Si2 -","- C64 H126 Co2 N8 P2 Si4 -","2","1","","Ogawa, Takahiko; Ruddy, Adam J.; Sydora, Orson L.; Stradiotto, Mark; Turculet, Laura","Cobalt- and Iron-Catalyzed Isomerization‒Hydroboration of Branched Alkenes: Terminal Hydroboration with Pinacolborane and 1,3,2-Diazaborolanes","Organometallics","2016","","","","","10.1021/acs.organomet.6b00823","","","0.71073","MoKα","","0.0328","0.029","","","0.0774","0.0809","","","","","","1.04","","","","has coordinates","189675","2020-10-21","18:00:00",""
"4086860","12.445","0.005","18.927","0.005","18.974","0.005","90","","94.181","0.005","90","","4457","2","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C45 H70 Co N3 P Si2 -","- C45 H70 Co N3 P Si2 -","- C180 H280 Co4 N12 P4 Si8 -","4","1","","Ogawa, Takahiko; Ruddy, Adam J.; Sydora, Orson L.; Stradiotto, Mark; Turculet, Laura","Cobalt- and Iron-Catalyzed Isomerization‒Hydroboration of Branched Alkenes: Terminal Hydroboration with Pinacolborane and 1,3,2-Diazaborolanes","Organometallics","2016","","","","","10.1021/acs.organomet.6b00823","","x-ray","1.54184","CuKα","","0.0367","0.0332","","","0.0878","0.0904","","","","","","1.023","","","","has coordinates","189675","2020-10-21","18:00:00",""
"4086861","11.293","0.005","12.262","0.005","16.355","0.005","77.258","0.005","71.916","0.005","63.55","0.005","1918.5","1.3","193","2","193","2","","","","","","","","7","P -1","-P 1","2","","","","- C33 H56 Co F2 N3 P Si2 -","- C33 H56 Co F2 N3 P Si2 -","- C66 H112 Co2 F4 N6 P2 Si4 -","2","1","","Ogawa, Takahiko; Ruddy, Adam J.; Sydora, Orson L.; Stradiotto, Mark; Turculet, Laura","Cobalt- and Iron-Catalyzed Isomerization‒Hydroboration of Branched Alkenes: Terminal Hydroboration with Pinacolborane and 1,3,2-Diazaborolanes","Organometallics","2016","","","","","10.1021/acs.organomet.6b00823","","x-ray","0.71073","MoKα","","0.0495","0.0366","","","0.09","0.0976","","","","","","1.04","","","","has coordinates","189675","2020-10-21","18:00:00",""
"4086862","10.9599","0.0005","11.9389","0.0005","14.9189","0.0005","96.924","0.001","90.401","0.001","101.408","0.001","1898.65","0.13","193","2","193","2","","","","","","","","5","P -1","-P 1","2","","","","- C39 H58 Co N3 P -","- C39 H58 Co N3 P -","- C78 H116 Co2 N6 P2 -","2","1","","Ogawa, Takahiko; Ruddy, Adam J.; Sydora, Orson L.; Stradiotto, Mark; Turculet, Laura","Cobalt- and Iron-Catalyzed Isomerization‒Hydroboration of Branched Alkenes: Terminal Hydroboration with Pinacolborane and 1,3,2-Diazaborolanes","Organometallics","2016","","","","","10.1021/acs.organomet.6b00823","","x-ray","0.71073","MoKα","","0.0325","0.0302","","","0.0825","0.0841","","","","","","1.07","","","","has coordinates","189675","2020-10-21","18:00:00",""
"4086863","12.149","0.0004","22.1056","0.0008","13.0832","0.0005","90","","101.58","0.001","90","","3442.1","0.2","193","2","193","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C36 H52 Co N2 O0.5 P -","- C36 H52 Co N2 O0.5 P -","- C144 H208 Co4 N8 O2 P4 -","4","1","","Ogawa, Takahiko; Ruddy, Adam J.; Sydora, Orson L.; Stradiotto, Mark; Turculet, Laura","Cobalt- and Iron-Catalyzed Isomerization‒Hydroboration of Branched Alkenes: Terminal Hydroboration with Pinacolborane and 1,3,2-Diazaborolanes","Organometallics","2016","","","","","10.1021/acs.organomet.6b00823","","x-ray","0.71073","MoKα","","0.0417","0.0356","","","0.0945","0.0992","","","","","","1.06","","","","has coordinates,has disorder","189675","2020-10-21","18:00:00",""
"4086869","10.3803","0.0019","10.4864","0.0019","14.3","0.003","105.02","0.004","104.542","0.003","100.693","0.003","1402","0.5","90","","90","","","","","","","","","7","P -1","-P 1","2","","n4-cyclooctadiene-k2-N,H-[diethyl-N-(2,6-dimethylphenyl)-O-(9-borabicyclononane)phosphoramidato]rhodium(I)","","- C28 H46 B N O3 P Rh -","- C28 H46 B N O3 P Rh -","- C56 H92 B2 N2 O6 P2 Rh2 -","2","1","","Drover, Marcus W.; Bowes, Eric G.; Love, Jennifer A.; Schafer, Laurel L.","Accessing δ-B‒H Coordinated Complexes of Rh(I) and Ir(I) Using Mono- and Dihydroboranes: Cooperative Stabilization by a Phosphoramidate Coligand","Organometallics","2016","","","","","10.1021/acs.organomet.6b00784","","","0.71073","MoKα","","0.0731","0.0582","","","0.1425","0.1575","","","","","","1.126","","","","has coordinates","189677","2020-10-21","18:00:00",""
"4086870","16.7345","0.0013","10.8317","0.0009","20.0868","0.0016","90","","99.32","0.002","90","","3592.9","0.5","90","","90","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","n4-cyclooctadiene-k2-N,H-[diethyl-N-(2,6-dimethylphenyl)-O-(1,1-dimesitylborane)phosphoramidato]rhodium(I)","","- C38 H54 B N O3 P Rh -","- C38 H54 B N O3 P Rh -","- C152 H216 B4 N4 O12 P4 Rh4 -","4","1","","Drover, Marcus W.; Bowes, Eric G.; Love, Jennifer A.; Schafer, Laurel L.","Accessing δ-B‒H Coordinated Complexes of Rh(I) and Ir(I) Using Mono- and Dihydroboranes: Cooperative Stabilization by a Phosphoramidate Coligand","Organometallics","2016","","","","","10.1021/acs.organomet.6b00784","","","0.71073","MoKα","","0.0318","0.0244","","","0.0642","0.0732","","","","","","1.099","","","","has coordinates","189677","2020-10-21","18:00:00",""
"4086871","8.2788","0.0006","13.5648","0.001","15.0651","0.0011","74.142","0.002","78.123","0.002","79.714","0.002","1579.1","0.2","90","","90","","","","","","","","","7","P -1","-P 1","2","","n4-cyclooctadiene-k2-N,H-[diethyl-N-(2,6-dimethylphenyl)-O-(mesitylborane)phosphoramidato]rhodium(I)","","- C32 H51 B N O3 P Rh -","- C32 H51 B N O3 P Rh -","- C64 H102 B2 N2 O6 P2 Rh2 -","2","1","","Drover, Marcus W.; Bowes, Eric G.; Love, Jennifer A.; Schafer, Laurel L.","Accessing δ-B‒H Coordinated Complexes of Rh(I) and Ir(I) Using Mono- and Dihydroboranes: Cooperative Stabilization by a Phosphoramidate Coligand","Organometallics","2016","","","","","10.1021/acs.organomet.6b00784","","","0.71073","MoKα","","0.0313","0.0284","","","0.07","0.0727","","","","","","1.048","","","","has coordinates","189677","2020-10-21","18:00:00",""
"4086872","9.5021","0.0012","19.939","0.003","19.973","0.003","73.927","0.002","79.174","0.003","87.851","0.003","3571.1","0.9","90","","90","","","","","","","","","8","P -1","-P 1","2","","n4-cyclooctadiene-k2-N,H-[diethyl-N-(2,6-dimethylphenyl)-O-(bis(pentafluorophenyl)borane)phosphoramidato]rhodium(I)","","- C35.5 H36 B F10 N O3 P Rh -","- C35.5 H36 B F10 N O3 P Rh -","- C142 H144 B4 F40 N4 O12 P4 Rh4 -","4","2","","Drover, Marcus W.; Bowes, Eric G.; Love, Jennifer A.; Schafer, Laurel L.","Accessing δ-B‒H Coordinated Complexes of Rh(I) and Ir(I) Using Mono- and Dihydroboranes: Cooperative Stabilization by a Phosphoramidate Coligand","Organometallics","2016","","","","","10.1021/acs.organomet.6b00784","","","0.71073","MoKα","","0.0586","0.0512","","","0.1177","0.1211","","","","","","1.115","","","","has coordinates,has disorder","252331","2020-10-21","18:00:00",""
"4086873","8.841","0.002","10.217","0.003","11.455","0.003","72.949","0.005","74.163","0.005","84.457","0.006","951.5","0.4","90","","90","","","","","","","","","6","P -1","-P 1","2","","n4-norbornadiene-m2-N,O-[diethyl-N-(2,6-dimethylphenyl)-O-phosphoramidato]rhodium(I) dimer","","- C38 H54 N2 O6 P2 Rh2 -","- C38 H54 N2 O6 P2 Rh2 -","- C38 H54 N2 O6 P2 Rh2 -","1","0.5","","Drover, Marcus W.; Bowes, Eric G.; Love, Jennifer A.; Schafer, Laurel L.","Accessing δ-B‒H Coordinated Complexes of Rh(I) and Ir(I) Using Mono- and Dihydroboranes: Cooperative Stabilization by a Phosphoramidate Coligand","Organometallics","2016","","","","","10.1021/acs.organomet.6b00784","","","0.71073","MoKα","","0.0243","0.021","","","0.0511","0.0533","","","","","","0.993","","","","has coordinates","189677","2020-10-21","18:00:00",""
"4086874","10.464","0.002","15.892","0.004","18.545","0.004","90","","90","","90","","3083.9","1.2","90","","90","","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","n4-norbornadiene-k2-N,H-[diethyl-N-(2,6-dimethylphenyl)-O-(1,1-dicyclohexylborane)phosphoramidato]rhodium(I)","","- C31 H50 B N O3 P Rh -","- C31 H50 B N O3 P Rh -","- C124 H200 B4 N4 O12 P4 Rh4 -","4","1","","Drover, Marcus W.; Bowes, Eric G.; Love, Jennifer A.; Schafer, Laurel L.","Accessing δ-B‒H Coordinated Complexes of Rh(I) and Ir(I) Using Mono- and Dihydroboranes: Cooperative Stabilization by a Phosphoramidate Coligand","Organometallics","2016","","","","","10.1021/acs.organomet.6b00784","","","0.71073","MoKα","","0.0794","0.0514","","","0.0866","0.0958","","","","","","0.991","","","","has coordinates","189677","2020-10-21","18:00:00",""
"4086875","12.6001","0.0014","13.9638","0.0015","17.4035","0.0018","73.679","0.006","69.073","0.006","74.54","0.006","2697.2","0.5","90","","90","","","","","","","","","5","P -1","-P 1","2","","1,5-cyclooctadiene-n6-triphenylmethane iridium(I) tetrakis(3,5-trifluoromethylphenyl)borate","","- C59 H40 B F25.41 Ir -","- C59 H40 B F25.484 Ir -","- C118 H80 B2 F50.968 Ir2 -","2","1","","Drover, Marcus W.; Bowes, Eric G.; Love, Jennifer A.; Schafer, Laurel L.","Accessing δ-B‒H Coordinated Complexes of Rh(I) and Ir(I) Using Mono- and Dihydroboranes: Cooperative Stabilization by a Phosphoramidate Coligand","Organometallics","2016","","","","","10.1021/acs.organomet.6b00784","","","0.71073","MoKα","","0.0362","0.0315","","","0.0832","0.0857","","","","","","1.062","","","","has coordinates,has disorder","189677","2020-10-21","18:00:00",""
"4086876","13.039","0.002","13.042","0.002","17.176","0.003","100.771","0.004","101.143","0.004","119.129","0.003","2365","0.7","90","","90","","","","","","","","","6","P -1","-P 1","2","","n6-triphenylmethane-1,5-cyclooctadieneiridium(I) tetrakis(3,5-trifluoromethylphenyl)borate","","- C47.96 H35 B F24 Ir N -","- C48 H35 B F24 Ir N -","- C96 H70 B2 F48 Ir2 N2 -","2","1","","Drover, Marcus W.; Bowes, Eric G.; Love, Jennifer A.; Schafer, Laurel L.","Accessing δ-B‒H Coordinated Complexes of Rh(I) and Ir(I) Using Mono- and Dihydroboranes: Cooperative Stabilization by a Phosphoramidate Coligand","Organometallics","2016","","","","","10.1021/acs.organomet.6b00784","","","0.71073","MoKα","","0.044","0.038","","","0.096","0.1005","","","","","","1.047","","","","has coordinates,has disorder","189677","2020-10-21","18:00:00",""
"4086877","10.307","0.003","16.551","0.004","22.006","0.005","90","","94.23","0.005","90","","3743.8","1.7","90","","90","","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C38 H31 B F15 N O3 P Rh -","- C38 H31 B F15 N O3 P Rh -","- C152 H124 B4 F60 N4 O12 P4 Rh4 -","4","1","","Drover, Marcus W.; Bowes, Eric G.; Love, Jennifer A.; Schafer, Laurel L.","Accessing δ-B‒H Coordinated Complexes of Rh(I) and Ir(I) Using Mono- and Dihydroboranes: Cooperative Stabilization by a Phosphoramidate Coligand","Organometallics","2016","","","","","10.1021/acs.organomet.6b00784","","","0.71073","MoKα","","0.0878","0.0722","","","0.1892","0.2061","","","","","","1.112","","","","has coordinates","189677","2020-10-21","18:00:00",""
"4086878","9.7691","0.001","21.884","0.002","28.934","0.003","84.979","0.003","85.688","0.003","83.649","0.003","6110.7","1.1","90","","90","","","","","","","","","7","P -1","-P 1","2","","k1-O-[diethyl-N-(2,6-dimethylphenyl)-O-(tris(pentafluorophenylborane))phosphoramide","","- C30 H20 B F15 N O3 P -","- C30 H20 B F15 N O3 P -","- C240 H160 B8 F120 N8 O24 P8 -","8","4","","Drover, Marcus W.; Bowes, Eric G.; Love, Jennifer A.; Schafer, Laurel L.","Accessing δ-B‒H Coordinated Complexes of Rh(I) and Ir(I) Using Mono- and Dihydroboranes: Cooperative Stabilization by a Phosphoramidate Coligand","Organometallics","2016","","","","","10.1021/acs.organomet.6b00784","","","0.71073","MoKα","","0.0729","0.0449","","","0.097","0.1085","","","","","","1.014","","","","has coordinates","189677","2020-10-21","18:00:00",""
"4086884","12.3234","0.001","12.3234","0.001","31.719","0.003","90","","90","","90","","4817","0.7","100","2","100","2","","","","","","","","5","P 43 21 2","P 4nw 2abw","96","","","","- C36 H84 Al3 Cr O12 -","- C36 H84 Al3 Cr O12 -","- C144 H336 Al12 Cr4 O48 -","4","0.5","","Delley, Murielle F.; Silaghi, Marius-C.; Nuñez-Zarur, Francisco; Kovtunov, Kirill V.; Salnikov, Oleg G.; Estes, Deven P.; Koptyug, Igor V.; Comas-Vives, Aleix; Copéret, Christophe","X‒H Bond Activation on Cr(III),O Sites (X = R, H): Key Steps in Dehydrogenation and Hydrogenation Processes","Organometallics","2016","","","","","10.1021/acs.organomet.6b00744","","x-ray","0.71073","MoKα","","0.0411","0.0386","","","0.1257","0.128","","","","","","1.142","","","","has coordinates","189680","2020-10-21","18:00:00",""
"4086892","12.9319","0.0005","22.7725","0.0011","18.9297","0.0009","90","","91.543","0.004","90","","5572.6","0.4","173","","173.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","Compound 2","","","- C54 H95 N Si4 Ti2 -","- C54 H95 N Si4 Ti2 -","- C216 H380 N4 Si16 Ti8 -","4","1","","Kilpatrick, Alexander F. R.; Green, Jennifer C.; Cloke, F. Geoffrey N.","Reactivity of a Dititanium Bis(pentalene) Complex toward Heteroallenes and Main-Group Element‒Element Bonds","Organometallics","2016","","","","","10.1021/acs.organomet.6b00791","","x-ray","1.54184","CuKα","","0.1076","0.0877","","","0.2455","0.2642","","","","","","1.047","","","","has coordinates,has disorder","189683","2020-10-21","18:00:00",""
"4086893","25.872","0.005","15.032","0.003","19.626","0.004","90","","121.3","0.03","90","","6522","3","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C67 H106 N2 Si4 Ti2 -","- C67 H106 N2 Si4 Ti2 -","- C268 H424 N8 Si16 Ti8 -","4","0.5","","Kilpatrick, Alexander F. R.; Green, Jennifer C.; Cloke, F. Geoffrey N.","Reactivity of a Dititanium Bis(pentalene) Complex toward Heteroallenes and Main-Group Element‒Element Bonds","Organometallics","2016","","","","","10.1021/acs.organomet.6b00791","","","0.71073","MoKα","","0.0534","0.0476","","","0.1258","0.1301","","","","","","1.062","","","","has coordinates","189683","2020-10-21","18:00:00",""
"4086894","13.098","0.0009","13.2073","0.0009","18.7778","0.0013","75.122","0.002","77.239","0.002","79.896","0.002","3037.5","0.4","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C59 H97 N O2 Si4 Ti2 -","- C59 H97 N O2 Si4 Ti2 -","- C118 H194 N2 O4 Si8 Ti4 -","2","1","","Kilpatrick, Alexander F. R.; Green, Jennifer C.; Cloke, F. Geoffrey N.","Reactivity of a Dititanium Bis(pentalene) Complex toward Heteroallenes and Main-Group Element‒Element Bonds","Organometallics","2016","","","","","10.1021/acs.organomet.6b00791","","","0.71075","MoKα","","0.1408","0.0857","","","0.2157","0.2416","","","","","","0.984","","","","has coordinates,has disorder","189683","2020-10-21","18:00:00",""
"4086895","14.3166","0.0006","15.1682","0.0005","20.1061","0.0009","93.573","0.003","108.624","0.004","105.973","0.003","3923.4","0.3","173","","173.15","","","","","","","","","5","P -1","-P 1","2","","","","- C64 H102 S2 Si4 Ti2 -","- C64 H102 S2 Si4 Ti2 -","- C128 H204 S4 Si8 Ti4 -","2","1","","Kilpatrick, Alexander F. R.; Green, Jennifer C.; Cloke, F. Geoffrey N.","Reactivity of a Dititanium Bis(pentalene) Complex toward Heteroallenes and Main-Group Element‒Element Bonds","Organometallics","2016","","","","","10.1021/acs.organomet.6b00791","","x-ray","0.71073","MoKα","","0.0896","0.0728","","","0.1916","0.2015","","","","","","1.079","","","","has coordinates","189683","2020-10-21","18:00:00",""
"4086896","15.3428","0.0011","17.1917","0.0012","24.7797","0.0017","90","","90","","90","","6536.1","0.8","100","","100","","","","","","","","","5","P 21 c n","P -2n 2a","33","","","","- C64 H102 Se2 Si4 Ti2 -","- C64 H102 Se2 Si4 Ti2 -","- C256 H408 Se8 Si16 Ti8 -","4","1","","Kilpatrick, Alexander F. R.; Green, Jennifer C.; Cloke, F. Geoffrey N.","Reactivity of a Dititanium Bis(pentalene) Complex toward Heteroallenes and Main-Group Element‒Element Bonds","Organometallics","2016","","","","","10.1021/acs.organomet.6b00791","","","0.71075","MoKα","","0.0694","0.0557","","","0.1446","0.1571","","","","","","1.058","","","","has coordinates","189683","2020-10-21","18:00:00",""
"4086897","18.1208","0.0003","16.1056","0.0003","25.6467","0.0005","90","","101.708","0.002","90","","7329.2","0.2","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C64 H102 Si4 Te2 Ti2 -","- C64 H102 Si4 Te2 Ti2 -","- C256 H408 Si16 Te8 Ti8 -","4","1","","Kilpatrick, Alexander F. R.; Green, Jennifer C.; Cloke, F. Geoffrey N.","Reactivity of a Dititanium Bis(pentalene) Complex toward Heteroallenes and Main-Group Element‒Element Bonds","Organometallics","2016","","","","","10.1021/acs.organomet.6b00791","","","1.54184","CuKα","","0.0657","0.0578","","","0.1564","0.1658","","","","","","1.064","","","","has coordinates","189683","2020-10-21","18:00:00",""
"4086898","15.3653","0.0011","23.5936","0.0017","37.738","0.003","90","","99.89","0.005","90","","13477.6","1.8","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C67 H109 N2 Si4 Ti2 -","- C67 H109 N2 Si4 Ti2 -","- C536 H872 N16 Si32 Ti16 -","8","1","","Kilpatrick, Alexander F. R.; Green, Jennifer C.; Cloke, F. Geoffrey N.","Reactivity of a Dititanium Bis(pentalene) Complex toward Heteroallenes and Main-Group Element‒Element Bonds","Organometallics","2016","","","","","10.1021/acs.organomet.6b00791","","","0.71073","MoKα","","0.0583","0.0453","","","0.1129","0.1211","","","","","","1.033","","","","has coordinates","189683","2020-10-21","18:00:00",""
"4087843","11.57","0.002","10.8627","0.0019","14.18","0.003","90","","102.667","0.003","90","","1738.8","0.6","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H23 Br Ge N2 -","- C15 H23 Br Ge N2 -","- C60 H92 Br4 Ge4 N8 -","4","1","","Siwatch, Rahul Kumar; Karwasara, Surendar; Sharma, Mahendra Kumar; Mondal, Santigopal; Mukherjee, Goutam; Rajaraman, Gopalan; Nagendran, Selvarajan","Reactivity of LGe‒NR2 and LGe(E)‒NR2 over LGe‒Cl and LGe(E)‒Cl toward Me3SiX (L = Aminotroponiminate; NR2 = N(SiMe3)2/NC4H4; E = S/Se; X = Br/CN)","Organometallics","2016","35","4","429","","10.1021/acs.organomet.5b00643","","","0.71073","MoKα","","0.0554","0.0403","","","0.1047","0.1103","","","","","","1.042","","","","has coordinates","237045","2020-10-21","18:00:00",""
"4087844","8.6319","0.0016","33.349","0.007","10.257","0.002","90","","112.298","0.004","90","","2731.8","0.9","298","2","298","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C21 H41 Ge N3 S Si2 -","- C21 H41 Ge N3 S Si2 -","- C84 H164 Ge4 N12 S4 Si8 -","4","1","","Siwatch, Rahul Kumar; Karwasara, Surendar; Sharma, Mahendra Kumar; Mondal, Santigopal; Mukherjee, Goutam; Rajaraman, Gopalan; Nagendran, Selvarajan","Reactivity of LGe‒NR2 and LGe(E)‒NR2 over LGe‒Cl and LGe(E)‒Cl toward Me3SiX (L = Aminotroponiminate; NR2 = N(SiMe3)2/NC4H4; E = S/Se; X = Br/CN)","Organometallics","2016","35","4","429","","10.1021/acs.organomet.5b00643","","","0.71073","MoKα","","0.089","0.0558","","","0.1007","0.1118","","","","","","0.971","","","","has coordinates","237045","2020-10-21","18:00:00",""
"4087845","8.6116","0.0012","33.34","0.005","10.1463","0.0014","90","","111.952","0.002","90","","2701.9","0.7","298","2","298","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C21 H41 Ge N3 Se Si2 -","- C21 H41 Ge N3 Se Si2 -","- C84 H164 Ge4 N12 Se4 Si8 -","4","1","","Siwatch, Rahul Kumar; Karwasara, Surendar; Sharma, Mahendra Kumar; Mondal, Santigopal; Mukherjee, Goutam; Rajaraman, Gopalan; Nagendran, Selvarajan","Reactivity of LGe‒NR2 and LGe(E)‒NR2 over LGe‒Cl and LGe(E)‒Cl toward Me3SiX (L = Aminotroponiminate; NR2 = N(SiMe3)2/NC4H4; E = S/Se; X = Br/CN)","Organometallics","2016","35","4","429","","10.1021/acs.organomet.5b00643","","","0.71073","MoKα","","0.112","0.0819","","","0.1492","0.1597","","","","","","1.178","","","","has coordinates","237045","2020-10-21","18:00:00",""
"4087846","11.2159","0.0015","16.256","0.002","19.033","0.002","90","","90","","90","","3470.2","0.7","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C15 H23 Br Ge N2 S -","- C15 H23 Br Ge N2 S -","- C120 H184 Br8 Ge8 N16 S8 -","8","1","","Siwatch, Rahul Kumar; Karwasara, Surendar; Sharma, Mahendra Kumar; Mondal, Santigopal; Mukherjee, Goutam; Rajaraman, Gopalan; Nagendran, Selvarajan","Reactivity of LGe‒NR2 and LGe(E)‒NR2 over LGe‒Cl and LGe(E)‒Cl toward Me3SiX (L = Aminotroponiminate; NR2 = N(SiMe3)2/NC4H4; E = S/Se; X = Br/CN)","Organometallics","2016","35","4","429","","10.1021/acs.organomet.5b00643","","","0.71073","MoKα","","0.0363","0.0289","","","0.0669","0.0692","","","","","","1.046","","","","has coordinates","237045","2020-10-21","18:00:00",""
"4087847","11.2999","0.0015","16.175","0.002","19.365","0.003","90","","90","","90","","3539.5","0.8","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C15 H23 Br Ge N2 Se -","- C15 H23 Br Ge N2 Se -","- C120 H184 Br8 Ge8 N16 Se8 -","8","1","","Siwatch, Rahul Kumar; Karwasara, Surendar; Sharma, Mahendra Kumar; Mondal, Santigopal; Mukherjee, Goutam; Rajaraman, Gopalan; Nagendran, Selvarajan","Reactivity of LGe‒NR2 and LGe(E)‒NR2 over LGe‒Cl and LGe(E)‒Cl toward Me3SiX (L = Aminotroponiminate; NR2 = N(SiMe3)2/NC4H4; E = S/Se; X = Br/CN)","Organometallics","2016","35","4","429","","10.1021/acs.organomet.5b00643","","","0.71073","MoKα","","0.0348","0.0294","","","0.0722","0.0744","","","","","","1.083","","","","has coordinates","237045","2020-10-21","18:00:00",""
"4087848","13.187","0.003","16.231","0.004","7.8031","0.0019","90","","91.281","0.006","90","","1669.7","0.7","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H23 Ge N3 -","- C16 H23 Ge N3 -","- C64 H92 Ge4 N12 -","4","1","","Siwatch, Rahul Kumar; Karwasara, Surendar; Sharma, Mahendra Kumar; Mondal, Santigopal; Mukherjee, Goutam; Rajaraman, Gopalan; Nagendran, Selvarajan","Reactivity of LGe‒NR2 and LGe(E)‒NR2 over LGe‒Cl and LGe(E)‒Cl toward Me3SiX (L = Aminotroponiminate; NR2 = N(SiMe3)2/NC4H4; E = S/Se; X = Br/CN)","Organometallics","2016","35","4","429","","10.1021/acs.organomet.5b00643","","","0.71073","MoKα","","0.0834","0.0534","","","0.1136","0.1382","","","","","","1.055","","","","has coordinates","237045","2020-10-21","18:00:00",""
"4087849","16.208","0.004","13.886","0.004","16.841","0.004","90","","116.812","0.004","90","","3382.8","1.5","298","2","298","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C15 H23 F Ge N2 S -","- C15 H23 F Ge N2 S -","- C120 H184 F8 Ge8 N16 S8 -","8","1","","Siwatch, Rahul Kumar; Karwasara, Surendar; Sharma, Mahendra Kumar; Mondal, Santigopal; Mukherjee, Goutam; Rajaraman, Gopalan; Nagendran, Selvarajan","Reactivity of LGe‒NR2 and LGe(E)‒NR2 over LGe‒Cl and LGe(E)‒Cl toward Me3SiX (L = Aminotroponiminate; NR2 = N(SiMe3)2/NC4H4; E = S/Se; X = Br/CN)","Organometallics","2016","35","4","429","","10.1021/acs.organomet.5b00643","","","0.71073","MoKα","","0.0526","0.0401","","","0.1053","0.1147","","","","","","1.051","","","","has coordinates","237045","2020-10-21","18:00:00",""
"4087906","9.3334","0.001","9.4708","0.001","11.3733","0.0012","104.439","0.002","108.41","0.002","107.365","0.002","842.33","0.16","120","2","120","2","","","","","","","","7","P 1","P 1","1","","","","- C35 H49 Cl N O P Pd -","- C35 H49 Cl N O P Pd -","- C35 H49 Cl N O P Pd -","1","1","","Gorunova, Olga N.; Novitskiy, Ivan M.; Grishin, Yuri K.; Gloriozov, Igor P.; Roznyatovsky, Vitaly A.; Khrustalev, Victor N.; Kochetkov, Konstantin A.; Dunina, Valery V.","Determination of the Absolute Configuration of CN-Palladacycles by 31P{1H} NMR Spectroscopy Using (1R,2S,5R)-Menthyloxydiphenylphosphine as the Chiral Derivatizing Agent: Efficient Chirality Transfer in Phosphinite Adducts","Organometallics","2016","35","2","75","","10.1021/acs.organomet.5b00706","","","0.71073","MoKα","","0.0545","0.0427","","","0.0667","0.0708","","","","","","1","","","","has coordinates","237112","2020-10-21","18:00:00",""
"4087907","10.5266","0.0006","15.0302","0.0009","25.5812","0.0015","90","","90","","90","","4047.4","0.4","120","2","120","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C45 H57 Cl N O P Pd -","- C45 H57 Cl N O P Pd -","- C180 H228 Cl4 N4 O4 P4 Pd4 -","4","1","","Gorunova, Olga N.; Novitskiy, Ivan M.; Grishin, Yuri K.; Gloriozov, Igor P.; Roznyatovsky, Vitaly A.; Khrustalev, Victor N.; Kochetkov, Konstantin A.; Dunina, Valery V.","Determination of the Absolute Configuration of CN-Palladacycles by 31P{1H} NMR Spectroscopy Using (1R,2S,5R)-Menthyloxydiphenylphosphine as the Chiral Derivatizing Agent: Efficient Chirality Transfer in Phosphinite Adducts","Organometallics","2016","35","2","75","","10.1021/acs.organomet.5b00706","","","0.71073","MoKα","","0.0857","0.0658","","","0.0995","0.1065","","","","","","1.031","","","","has coordinates","237112","2020-10-21","18:00:00",""
"4088016","10.2794","0.0006","12.0368","0.0006","18.218","0.001","96.422","0.002","102.344","0.002","107.322","0.002","2064.6","0.2","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C35 H60 B10 Cl O2 P3 Rh -","- C35 H60 B10 Cl O2 P3 Rh -","- C70 H120 B20 Cl2 O4 P6 Rh2 -","2","1","","Eleazer, Bennett J.; Smith, Mark D.; Peryshkov, Dmitry V.","Metal- and Ligand-Centered Reactivity of meta-Carboranyl-Backbone Pincer Complexes of Rhodium","Organometallics","2016","35","2","106","","10.1021/acs.organomet.5b00807","","x-ray","0.71073","MoKα","","0.0384","0.0314","","","0.077","0.0801","","","","","","1.1","","","","has coordinates","237215","2020-10-21","18:00:00",""
"4088017","8.4021","0.0006","9.9365","0.0007","15.45","0.0011","74.825","0.002","85.943","0.002","71.725","0.002","1182.02","0.15","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H38 B10 O2 P2 -","- C14 H38 B10 O2 P2 -","- C28 H76 B20 O4 P4 -","2","1","","Eleazer, Bennett J.; Smith, Mark D.; Peryshkov, Dmitry V.","Metal- and Ligand-Centered Reactivity of meta-Carboranyl-Backbone Pincer Complexes of Rhodium","Organometallics","2016","35","2","106","","10.1021/acs.organomet.5b00807","","","0.71073","MoKα","","0.0471","0.0374","","","0.0868","0.0905","","","","","","1.001","","","","has coordinates","237215","2020-10-21","18:00:00",""
"4088018","9.5351","0.0005","25.0255","0.0013","16.084","0.0008","90","","90.503","0.002","90","","3837.8","0.3","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C32 H52 B10 O2 P3 Rh -","- C32 H52 B10 O2 P3 Rh -","- C128 H208 B40 O8 P12 Rh4 -","4","1","","Eleazer, Bennett J.; Smith, Mark D.; Peryshkov, Dmitry V.","Metal- and Ligand-Centered Reactivity of meta-Carboranyl-Backbone Pincer Complexes of Rhodium","Organometallics","2016","35","2","106","","10.1021/acs.organomet.5b00807","","x-ray","0.71073","MoKα","","0.0255","0.0222","","","0.0523","0.0536","","","","","","1.072","","","","has coordinates","237215","2020-10-21","18:00:00",""
"4088019","16.5637","0.0006","14.4241","0.0005","12.5348","0.0005","90","","90","","90","","2994.77","0.19","100","2","100","2","","","","","","","","7","P n m a","-P 2ac 2n","62","","","","- C20 H42 B10 I O2 P2 Rh -","- C20 H42 B10 I O2 P2 Rh -","- C80 H168 B40 I4 O8 P8 Rh4 -","4","0.5","","Eleazer, Bennett J.; Smith, Mark D.; Peryshkov, Dmitry V.","Metal- and Ligand-Centered Reactivity of meta-Carboranyl-Backbone Pincer Complexes of Rhodium","Organometallics","2016","35","2","106","","10.1021/acs.organomet.5b00807","","x-ray","0.71073","MoKα","","0.0215","0.0182","","","0.0448","0.0463","","","","","","1.077","","","","has coordinates","237215","2020-10-21","18:00:00",""
"4088020","10.6949","0.0005","11.3884","0.0006","16.3856","0.0008","76.18","0.002","72.455","0.002","80.535","0.002","1838.57","0.16","100","2","100","2","","","","","","","","9","P -1","-P 1","2","","","","- C28 H45 B10 D6 I N O2 P2 Rh -","- C28 H45 B10 D6 I N O2 P2 Rh -","- C56 H90 B20 D12 I2 N2 O4 P4 Rh2 -","2","1","","Eleazer, Bennett J.; Smith, Mark D.; Peryshkov, Dmitry V.","Metal- and Ligand-Centered Reactivity of meta-Carboranyl-Backbone Pincer Complexes of Rhodium","Organometallics","2016","35","2","106","","10.1021/acs.organomet.5b00807","","x-ray","0.71073","MoKα","","0.0431","0.0273","","","0.0454","0.0485","","","","","","1.047","","","","has coordinates","237215","2020-10-21","18:00:00",""
"4088055","15.0058","0.0007","10.347","0.0005","22.7802","0.0011","90","","92.438","0.002","90","","3533.8","0.3","90","2","90","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","2[(PPh3)(C24H24N)Pt]Cl - (CH2Cl2)","","","- C42.5 H40 Cl2 N P Pt -","- C42.5 H40 Cl2 N P Pt -","- C170 H160 Cl8 N4 P4 Pt4 -","4","1","","Bender, Christopher F.; Brown, Timothy J.; Widenhoefer, Ross A.","Mechanism of the Platinum(II)-Catalyzed Hydroamination of 4-Pentenylamines","Organometallics","2016","35","2","113","","10.1021/acs.organomet.5b00821","","","0.71073","MoKα","","0.0584","0.0389","","","0.0939","0.1032","","","","","","1.041","","","","has coordinates","237233","2020-10-21","18:00:00",""
"4088119","9.591","0.002","10.87","0.003","16.325","0.004","74.296","0.004","76.993","0.004","87.31","0.004","1596.2","0.7","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C32 H48 Br N3 O3 -","- C32 H48 Br N3 O3 -","- C64 H96 Br2 N6 O6 -","2","1","","Wan, Li; Zhang, Dao","Brønsted Base-Induced Rearrangement and Nucleophilic Addition of O/N-Functionalized NHCs and Relative Group 4 Metal Complexes for Ethylene Polymerization Catalysis","Organometallics","2016","35","2","138","","10.1021/acs.organomet.5b00862","","","0.71073","MoKα","","0.0793","0.0536","","","0.1451","0.1705","","","","","","1.049","","","","has coordinates","237296","2020-10-21","18:00:00",""
"4088120","10.3474","0.0008","23.8857","0.0018","16.5887","0.0013","90","","93.184","0.001","90","","4093.6","0.5","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C46 H61 N3 O2 -","- C46 H61 N3 O2 -","- C184 H244 N12 O8 -","4","1","","Wan, Li; Zhang, Dao","Brønsted Base-Induced Rearrangement and Nucleophilic Addition of O/N-Functionalized NHCs and Relative Group 4 Metal Complexes for Ethylene Polymerization Catalysis","Organometallics","2016","35","2","138","","10.1021/acs.organomet.5b00862","","","0.71073","MoKα","","0.087","0.0573","","","0.1646","0.1848","","","","","","1.153","","","","has coordinates","237296","2020-10-21","18:00:00",""
"4088121","12.8602","0.0015","13.7192","0.0016","19.785","0.002","78.314","0.002","80.812","0.002","80.869","0.002","3345.5","0.6","213","2","213","2","","","","","","","","8","P -1","-P 1","2","","","","- C53 H90 Br2 Cl2 Hf N6 O4 Si2 -","- C53 H90 Br2 Cl2 Hf N6 O4 Si2 -","- C106 H180 Br4 Cl4 Hf2 N12 O8 Si4 -","2","1","","Wan, Li; Zhang, Dao","Brønsted Base-Induced Rearrangement and Nucleophilic Addition of O/N-Functionalized NHCs and Relative Group 4 Metal Complexes for Ethylene Polymerization Catalysis","Organometallics","2016","35","2","138","","10.1021/acs.organomet.5b00862","","","0.71073","MoKα","","0.1007","0.0626","","","0.1594","0.1918","","","","","","1.124","","","","has coordinates","237296","2020-10-21","18:00:00",""
"4088122","44.813","0.003","44.813","0.003","16.8439","0.0011","90","","90","","90","","33826","4","173","2","173","2","","","","","","","","6","I 41/a :2","-I 4ad","88","","","","- C49 H71 Cl15 N6 O3 Ti2 -","- C49 H71 Cl15 N6 O3 Ti2 -","- C784 H1136 Cl240 N96 O48 Ti32 -","16","1","","Wan, Li; Zhang, Dao","Brønsted Base-Induced Rearrangement and Nucleophilic Addition of O/N-Functionalized NHCs and Relative Group 4 Metal Complexes for Ethylene Polymerization Catalysis","Organometallics","2016","35","2","138","","10.1021/acs.organomet.5b00862","","","0.71073","MoKα","","0.0975","0.0602","","","0.157","0.1727","","","","","","0.988","","","","has coordinates,has disorder","237296","2020-10-21","18:00:00",""
"4088136","9.7322","0.0004","13.8301","0.0005","14.8354","0.0006","90","","90.72","0.002","90","","1996.65","0.14","100","","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C15 H37 B2 Nd O3 -","- C15 H37 B2 Nd O3 -","- C60 H148 B8 Nd4 O12 -","4","1","","Fadlallah, Sami; Terrier, Michaël; Jones, Chloe; Roussel, Pascal; Bonnet, Fanny; Visseaux, Marc","Mixed Allyl‒Borohydride Lanthanide Complexes: Synthesis of Ln(BH4)2(C3H5)(THF)3 (Ln = Nd, Sm), Characterization, and Reactivity toward Polymerization","Organometallics","2016","35","4","456","","10.1021/acs.organomet.5b00877","","x-ray","0.71073","MoKα","","0.0488","0.038","","","0.0458","0.0467","","","","2.7","2.7","2.52","","","","has coordinates","237306","2020-10-21","18:00:00",""
"4088137","9.6926","0.0007","13.7986","0.0009","14.8066","0.0011","90","","91.771","0.004","90","","1979.4","0.2","100","","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C15 H37 B2 O3 Sm -","- C15 H37 B2 O3 Sm -","- C60 H148 B8 O12 Sm4 -","4","1","","Fadlallah, Sami; Terrier, Michaël; Jones, Chloe; Roussel, Pascal; Bonnet, Fanny; Visseaux, Marc","Mixed Allyl‒Borohydride Lanthanide Complexes: Synthesis of Ln(BH4)2(C3H5)(THF)3 (Ln = Nd, Sm), Characterization, and Reactivity toward Polymerization","Organometallics","2016","35","4","456","","10.1021/acs.organomet.5b00877","","x-ray","0.71073","MoKα","","0.0409","0.0321","","","0.0402","0.0414","","","","2.2","2.2","2.08","","","","has coordinates","237308","2020-10-21","18:00:00",""
"4088138","10.6958","0.0007","11.91","0.0007","15.3329","0.001","91.922","0.001","96.08","0.001","115.751","0.001","1742.43","0.19","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C33 H45 N12 Y -","- C33 H45 N12 Y -","- C66 H90 N24 Y2 -","2","1","","Lyubov, Dmitry M.; Cherkasov, Anton V.; Fukin, Georgy K.; Trifonov, Alexander A.","Selective Intermolecular C‒H Bond Activation: A Straightforward Synthetic Approach to Heteroalkyl Yttrium Complexes Containing a Bis(pyrazolyl)methyl Ligand","Organometallics","2016","35","2","126","","10.1021/acs.organomet.5b00883","","","0.71073","MoKα","","0.0293","0.0262","","","0.0681","0.0694","","","","","","1.043","","","","has coordinates","237311","2020-10-21","18:00:00",""
"4088139","18.9708","0.0009","11.1377","0.0005","22.7055","0.0011","90","","113.436","0.001","90","","4401.7","0.4","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C44 H63 N6 O Si Y -","- C44 H63 N6 O Si Y -","- C176 H252 N24 O4 Si4 Y4 -","4","1","","Lyubov, Dmitry M.; Cherkasov, Anton V.; Fukin, Georgy K.; Trifonov, Alexander A.","Selective Intermolecular C‒H Bond Activation: A Straightforward Synthetic Approach to Heteroalkyl Yttrium Complexes Containing a Bis(pyrazolyl)methyl Ligand","Organometallics","2016","35","2","126","","10.1021/acs.organomet.5b00883","","","0.71073","MoKα","","0.0765","0.0423","","","0.0893","0.0974","","","","","","0.982","","","","has coordinates,has disorder","237311","2020-10-21","18:00:00",""
"4088140","18.1649","0.0009","15.8121","0.0008","18.5251","0.0009","90","","105.805","0.001","90","","5119.7","0.4","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C50 H83 N6 Si Y -","- C50 H83 N6 Si Y -","- C200 H332 N24 Si4 Y4 -","4","1","","Lyubov, Dmitry M.; Cherkasov, Anton V.; Fukin, Georgy K.; Trifonov, Alexander A.","Selective Intermolecular C‒H Bond Activation: A Straightforward Synthetic Approach to Heteroalkyl Yttrium Complexes Containing a Bis(pyrazolyl)methyl Ligand","Organometallics","2016","35","2","126","","10.1021/acs.organomet.5b00883","","","0.71073","MoKα","","0.0864","0.0557","","","0.1545","0.1688","","","","","","1.073","","","","has coordinates,has disorder","237311","2020-10-21","18:00:00",""
"4088141","11.22795","0.00016","23.8658","0.0003","16.4287","0.0002","90","","92.127","0.0012","90","","4399.27","0.1","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C43 H67 N6 O2 Si Y -","- C43 H67 N6 O2 Si Y -","- C172 H268 N24 O8 Si4 Y4 -","4","1","","Lyubov, Dmitry M.; Cherkasov, Anton V.; Fukin, Georgy K.; Trifonov, Alexander A.","Selective Intermolecular C‒H Bond Activation: A Straightforward Synthetic Approach to Heteroalkyl Yttrium Complexes Containing a Bis(pyrazolyl)methyl Ligand","Organometallics","2016","35","2","126","","10.1021/acs.organomet.5b00883","","","0.71073","MoKα","","0.0801","0.0549","","","0.1068","0.1142","","","","","","1.022","","","","has coordinates,has disorder","237311","2020-10-21","18:00:00",""
"4088142","10.18763","0.00012","10.88684","0.00013","31.6483","0.0003","94.6727","0.001","90.5018","0.0009","115.796","0.0012","3146.02","0.07","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C29 H49 N4 O Si Y -","- C29 H49 N4 O Si Y -","- C116 H196 N16 O4 Si4 Y4 -","4","2","","Lyubov, Dmitry M.; Cherkasov, Anton V.; Fukin, Georgy K.; Trifonov, Alexander A.","Selective Intermolecular C‒H Bond Activation: A Straightforward Synthetic Approach to Heteroalkyl Yttrium Complexes Containing a Bis(pyrazolyl)methyl Ligand","Organometallics","2016","35","2","126","","10.1021/acs.organomet.5b00883","","","0.71073","MoKα","","0.0511","0.041","","","0.0871","0.0906","","","","","","1.022","","","","has coordinates,has disorder","237311","2020-10-21","18:00:00",""
"4088143","13.3399","0.0005","13.5884","0.0005","24.7004","0.001","78.055","0.001","83.095","0.001","62.848","0.001","3896","0.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C82 H110 N12 O2.5 Y2 -","- C82 H110 N12 O2.5 Y2 -","- C164 H220 N24 O5 Y4 -","2","1","","Lyubov, Dmitry M.; Cherkasov, Anton V.; Fukin, Georgy K.; Trifonov, Alexander A.","Selective Intermolecular C‒H Bond Activation: A Straightforward Synthetic Approach to Heteroalkyl Yttrium Complexes Containing a Bis(pyrazolyl)methyl Ligand","Organometallics","2016","35","2","126","","10.1021/acs.organomet.5b00883","","","0.71073","MoKα","","0.0856","0.0603","","","0.1665","0.1791","","","","","","1.078","","","","has coordinates,has disorder","237311","2020-10-21","18:00:00",""
"4088144","46.031","0.003","10.6303","0.0006","21.5412","0.0011","90","","104.895","0.001","90","","10186.4","1","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C54 H74 N7 O1.5 Y -","- C54 H74 N7 O1.5 Y -","- C432 H592 N56 O12 Y8 -","8","1","","Lyubov, Dmitry M.; Cherkasov, Anton V.; Fukin, Georgy K.; Trifonov, Alexander A.","Selective Intermolecular C‒H Bond Activation: A Straightforward Synthetic Approach to Heteroalkyl Yttrium Complexes Containing a Bis(pyrazolyl)methyl Ligand","Organometallics","2016","35","2","126","","10.1021/acs.organomet.5b00883","","","0.71073","MoKα","","0.1026","0.0533","","","0.1131","0.1265","","","","","","0.975","","","","has coordinates,has disorder","237311","2020-10-21","18:00:00",""
"4088154","14.287","0.008","20.209","0.011","18.903","0.01","90","","91.598","0.011","90","","5456","5","100","2","100","2","","","","","","","","9","P 1 21/n 1","-P 2yn","14","","","","- C51 H46 B Br Cl2 F20 Fe P2 Pd -","- C51 H46 B Br Cl2 F20 Fe P2 Pd -","- C204 H184 B4 Br4 Cl8 F80 Fe4 P8 Pd4 -","4","1","","Blass, Brittany L.; Hernández Sánchez, Raúl; Decker, Victoria A.; Robinson, Michael J.; Piro, Nicholas A.; Kassel, W. Scott; Diaconescu, Paula L.; Nataro, Chip","Structural, Computational, and Spectroscopic Investigation of [Pd(κ3-1,1′-bis(di-tert-butylphosphino)ferrocenediyl)X]+ (X = Cl, Br, I) Compounds","Organometallics","2016","35","4","462","","10.1021/acs.organomet.5b00889","","","0.71073","MoKα","","0.076","0.0428","","","0.0863","0.0976","","","","","","1.032","","","","has coordinates,has disorder","237319","2020-10-21","18:00:00",""
"4088155","11.9474","0.0008","19.6442","0.0012","25.8393","0.0017","90","","90.092","0.004","90","","6064.4","0.7","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C26 H44 Fe I2 P2 Pd -","- C26 H44 Fe I2 P2 Pd -","- C208 H352 Fe8 I16 P16 Pd8 -","8","2","","Blass, Brittany L.; Hernández Sánchez, Raúl; Decker, Victoria A.; Robinson, Michael J.; Piro, Nicholas A.; Kassel, W. Scott; Diaconescu, Paula L.; Nataro, Chip","Structural, Computational, and Spectroscopic Investigation of [Pd(κ3-1,1′-bis(di-tert-butylphosphino)ferrocenediyl)X]+ (X = Cl, Br, I) Compounds","Organometallics","2016","35","4","462","","10.1021/acs.organomet.5b00889","","","0.71073","MoKα","","0.0309","0.0294","","","0.0656","0.0663","","","","","","1.203","","","","has coordinates","237319","2020-10-21","18:00:00",""
"4088156","11.9748","0.0007","19.6527","0.001","25.947","0.0014","90","","90.099","0.003","90","","6106.3","0.6","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C26 H44 Fe I2 P2 Pd -","- C26 H44 Fe I2 P2 Pd -","- C208 H352 Fe8 I16 P16 Pd8 -","8","2","","Blass, Brittany L.; Hernández Sánchez, Raúl; Decker, Victoria A.; Robinson, Michael J.; Piro, Nicholas A.; Kassel, W. Scott; Diaconescu, Paula L.; Nataro, Chip","Structural, Computational, and Spectroscopic Investigation of [Pd(κ3-1,1′-bis(di-tert-butylphosphino)ferrocenediyl)X]+ (X = Cl, Br, I) Compounds","Organometallics","2016","35","4","462","","10.1021/acs.organomet.5b00889","","","0.71073","MoKα","","0.0392","0.0351","","","0.0745","0.0765","","","","","","1.142","","","","has coordinates","237319","2020-10-21","18:00:00",""
"4088157","11.9955","0.0007","19.6035","0.0011","26.1547","0.0015","90","","90","","90","","6150.4","0.6","200","2","200","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C26 H44 Fe I2 P2 Pd -","- C26 H44 Fe I2 P2 Pd -","- C208 H352 Fe8 I16 P16 Pd8 -","8","1","","Blass, Brittany L.; Hernández Sánchez, Raúl; Decker, Victoria A.; Robinson, Michael J.; Piro, Nicholas A.; Kassel, W. Scott; Diaconescu, Paula L.; Nataro, Chip","Structural, Computational, and Spectroscopic Investigation of [Pd(κ3-1,1′-bis(di-tert-butylphosphino)ferrocenediyl)X]+ (X = Cl, Br, I) Compounds","Organometallics","2016","35","4","462","","10.1021/acs.organomet.5b00889","","","0.71073","MoKα","","0.0538","0.0469","","","0.0956","0.0987","","","","","","1.297","","","","has coordinates","237319","2020-10-21","18:00:00",""
"4088158","12.0625","0.0004","19.635","0.0007","26.2605","0.0009","90","","90","","90","","6219.7","0.4","295","2","295","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C26 H44 Fe I2 P2 Pd -","- C26 H44 Fe I2 P2 Pd -","- C208 H352 Fe8 I16 P16 Pd8 -","8","1","","Blass, Brittany L.; Hernández Sánchez, Raúl; Decker, Victoria A.; Robinson, Michael J.; Piro, Nicholas A.; Kassel, W. Scott; Diaconescu, Paula L.; Nataro, Chip","Structural, Computational, and Spectroscopic Investigation of [Pd(κ3-1,1′-bis(di-tert-butylphosphino)ferrocenediyl)X]+ (X = Cl, Br, I) Compounds","Organometallics","2016","35","4","462","","10.1021/acs.organomet.5b00889","","","0.71073","MoKα","","0.0527","0.0384","","","0.0841","0.0925","","","","","","1.109","","","","has coordinates","237319","2020-10-21","18:00:00",""
"4088159","14.177","0.003","20.023","0.003","18.731","0.004","90","","91.728","0.006","90","","5314.7","1.8","78","2","78.15","","","","","","","","","9","P 1 21/n 1","-P 2yn","14","","","","- C51 H46 B Br Cl2 F20 Fe P2 Pd -","- C51 H46 B Br Cl2 F20 Fe P2 Pd -","- C204 H184 B4 Br4 Cl8 F80 Fe4 P8 Pd4 -","4","1","","Blass, Brittany L.; Hernández Sánchez, Raúl; Decker, Victoria A.; Robinson, Michael J.; Piro, Nicholas A.; Kassel, W. Scott; Diaconescu, Paula L.; Nataro, Chip","Structural, Computational, and Spectroscopic Investigation of [Pd(κ3-1,1′-bis(di-tert-butylphosphino)ferrocenediyl)X]+ (X = Cl, Br, I) Compounds","Organometallics","2016","35","4","462","","10.1021/acs.organomet.5b00889","","","0.71073","MoKα","","0.0807","0.052","","","0.1178","0.1274","","","","","","1.049","","","","has coordinates,has disorder","237319","2020-10-21","18:00:00",""
"4088160","14.1901","0.0012","20.0407","0.0014","18.7448","0.0016","90","","91.629","0.003","90","","5328.5","0.7","100","2","100","2","","","","","","","","9","P 1 21/n 1","-P 2yn","14","","","","- C51 H46 B Br Cl2 F20 Fe P2 Pd -","- C51 H46 B Br Cl2 F20 Fe P2 Pd -","- C204 H184 B4 Br4 Cl8 F80 Fe4 P8 Pd4 -","4","1","","Blass, Brittany L.; Hernández Sánchez, Raúl; Decker, Victoria A.; Robinson, Michael J.; Piro, Nicholas A.; Kassel, W. Scott; Diaconescu, Paula L.; Nataro, Chip","Structural, Computational, and Spectroscopic Investigation of [Pd(κ3-1,1′-bis(di-tert-butylphosphino)ferrocenediyl)X]+ (X = Cl, Br, I) Compounds","Organometallics","2016","35","4","462","","10.1021/acs.organomet.5b00889","","","0.71073","MoKα","","0.0765","0.0496","","","0.1072","0.1152","","","","","","1.029","","","","has coordinates,has disorder","237319","2020-10-21","18:00:00",""
"4088161","14.27","0.0009","20.0595","0.0011","18.9011","0.0013","90","","91.32","0.002","90","","5409","0.6","176","2","176","2","","","","","","","","9","P 1 21/n 1","-P 2yn","14","","","","- C51 H46 B Br Cl2 F20 Fe P2 Pd -","- C51 H46 B Br Cl2 F20 Fe P2 Pd -","- C204 H184 B4 Br4 Cl8 F80 Fe4 P8 Pd4 -","4","1","","Blass, Brittany L.; Hernández Sánchez, Raúl; Decker, Victoria A.; Robinson, Michael J.; Piro, Nicholas A.; Kassel, W. Scott; Diaconescu, Paula L.; Nataro, Chip","Structural, Computational, and Spectroscopic Investigation of [Pd(κ3-1,1′-bis(di-tert-butylphosphino)ferrocenediyl)X]+ (X = Cl, Br, I) Compounds","Organometallics","2016","35","4","462","","10.1021/acs.organomet.5b00889","","","0.71073","MoKα","","0.0708","0.0443","","","0.0927","0.1","","","","","","1.04","","","","has coordinates","237319","2020-10-21","18:00:00",""
"4088162","14.3074","0.0008","20.107","0.001","18.9839","0.0011","90","","90.932","0.002","90","","5460.5","0.5","225","2","225","2","","","","","","","","9","P 1 21/n 1","-P 2yn","14","","","","- C51 H46 B Br Cl2 F20 Fe P2 Pd -","- C51 H46 B Br Cl2 F20 Fe P2 Pd -","- C204 H184 B4 Br4 Cl8 F80 Fe4 P8 Pd4 -","4","1","","Blass, Brittany L.; Hernández Sánchez, Raúl; Decker, Victoria A.; Robinson, Michael J.; Piro, Nicholas A.; Kassel, W. Scott; Diaconescu, Paula L.; Nataro, Chip","Structural, Computational, and Spectroscopic Investigation of [Pd(κ3-1,1′-bis(di-tert-butylphosphino)ferrocenediyl)X]+ (X = Cl, Br, I) Compounds","Organometallics","2016","35","4","462","","10.1021/acs.organomet.5b00889","","","0.71073","MoKα","","0.0639","0.0416","","","0.089","0.0951","","","","","","1.042","","","","has coordinates","237319","2020-10-21","18:00:00",""
"4088163","14.3543","0.0005","20.16","0.0006","19.1207","0.0008","90","","90.5055","0.0013","90","","5533","0.3","295","2","295","2","","","","","","","","9","P 1 21/n 1","-P 2yn","14","","","","- C51 H46 B Br Cl2 F20 Fe P2 Pd -","- C51 H46 B Br Cl2 F20 Fe P2 Pd -","- C204 H184 B4 Br4 Cl8 F80 Fe4 P8 Pd4 -","4","1","","Blass, Brittany L.; Hernández Sánchez, Raúl; Decker, Victoria A.; Robinson, Michael J.; Piro, Nicholas A.; Kassel, W. Scott; Diaconescu, Paula L.; Nataro, Chip","Structural, Computational, and Spectroscopic Investigation of [Pd(κ3-1,1′-bis(di-tert-butylphosphino)ferrocenediyl)X]+ (X = Cl, Br, I) Compounds","Organometallics","2016","35","4","462","","10.1021/acs.organomet.5b00889","","","0.71073","MoKα","","0.0681","0.0464","","","0.111","0.1196","","","","","","1.029","","","","has coordinates","237319","2020-10-21","18:00:00",""
"4088164","17.3756","0.0007","17.7904","0.0008","18.7143","0.0009","72.24","0.004","71.999","0.004","63.587","0.004","4831.2","0.4","150","2","150","2","","","","","","","","8","P -1","-P 1","2","","","","- C43 H34.5 Cl2 Cu2 F12 N8.5 O8 P2 -","- C43 H34.5 Cl2 Cu2 F12 N8.5 O8 P2 -","- C172 H138 Cl8 Cu8 F48 N34 O32 P8 -","4","2","","Huang, Da-wei; Liu, Yi-Hung; Peng, Shie-Ming; Liu, Shiuh-Tzung","Dicopper Complexes with Anthyridine-Based Ligands: Coordination and Catalytic Activity","Organometallics","2016","35","2","151","","10.1021/acs.organomet.5b00895","","","1.54178","CuKα","","0.1328","0.0956","","","0.2425","0.269","","","","","","1.154","","","","has coordinates","237321","2020-10-21","18:00:00",""
"4088165","12.533","0.0004","14.6328","0.0006","15.9142","0.0006","109.641","0.004","97.363","0.003","113.854","0.004","2392.9","0.2","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C33 H35 Cl8 Cu2 N7 O20 -","- C33 H35 Cl8 Cu2 N7 O20 -","- C66 H70 Cl16 Cu4 N14 O40 -","2","1","","Huang, Da-wei; Liu, Yi-Hung; Peng, Shie-Ming; Liu, Shiuh-Tzung","Dicopper Complexes with Anthyridine-Based Ligands: Coordination and Catalytic Activity","Organometallics","2016","35","2","151","","10.1021/acs.organomet.5b00895","","","0.71073","MoKα","","0.0743","0.0523","","","0.1436","0.1608","","","","","","1.078","","","","has coordinates","237321","2020-10-21","18:00:00",""
"4088166","12.6115","0.0011","13.9289","0.0012","21.3841","0.0019","90","","97.527","0.003","90","","3724.1","0.6","100","","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C39 H42 Au Cl2 F4 N3 -","- C39 H42 Au Cl2 F4 N3 -","- C156 H168 Au4 Cl8 F16 N12 -","4","1","","Molteni, Roberto; Edkins, Katharina; Haehnel, Martin; Steffen, Andreas","C‒H Activation of Fluoroarenes: Synthesis, Structure, and Luminescence Properties of Copper(I) and Gold(I) Complexes Bearing 2-Phenylpyridine Ligands","Organometallics","2016","35","5","629","","10.1021/acs.organomet.5b00904","","","0.71073","MoKα","","0.0281","0.0213","","","0.0501","0.0527","","","","","","1.035","","","","has coordinates","237324","2020-10-21","18:00:00",""
"4088167","11.5942","0.0005","12.8526","0.0005","18.8541","0.0007","90","","105.953","0.002","90","","2701.35","0.19","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C32 H25 Au F4 N P -","- C32 H25 Au F4 N P -","- C128 H100 Au4 F16 N4 P4 -","4","1","","Molteni, Roberto; Edkins, Katharina; Haehnel, Martin; Steffen, Andreas","C‒H Activation of Fluoroarenes: Synthesis, Structure, and Luminescence Properties of Copper(I) and Gold(I) Complexes Bearing 2-Phenylpyridine Ligands","Organometallics","2016","35","5","629","","10.1021/acs.organomet.5b00904","","","0.71073","MoKα","","0.0572","0.0337","","","0.0632","0.0734","","","","","","1.018","","","","has coordinates","237325","2020-10-21","18:00:00",""
"4088168","10.6007","0.0006","12.3849","0.0007","17.6667","0.001","94.673","0.002","97.681","0.002","105.919","0.002","2193.4","0.2","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C49 H36 Cl4 Cu F4 N O P2 -","- C49 H36 Cl4 Cu F4 N O P2 -","- C98 H72 Cl8 Cu2 F8 N2 O2 P4 -","2","1","","Molteni, Roberto; Edkins, Katharina; Haehnel, Martin; Steffen, Andreas","C‒H Activation of Fluoroarenes: Synthesis, Structure, and Luminescence Properties of Copper(I) and Gold(I) Complexes Bearing 2-Phenylpyridine Ligands","Organometallics","2016","35","5","629","","10.1021/acs.organomet.5b00904","","","0.71073","MoKα","","0.0573","0.0499","","","0.139","0.1468","","","","","","1.073","","","","has coordinates,has disorder","237327","2020-10-21","18:00:00",""
"4088169","12.4322","0.0004","16.8917","0.0006","18.3072","0.0007","90","","96.772","0.002","90","","3817.7","0.2","100","","100","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C41.2 H46.4 Cu F4 N3 O0.8 -","- C41.2 H46.4 Cu F4 N3 O0.8 -","- C164.8 H185.6 Cu4 F16 N12 O3.2 -","4","2","","Molteni, Roberto; Edkins, Katharina; Haehnel, Martin; Steffen, Andreas","C‒H Activation of Fluoroarenes: Synthesis, Structure, and Luminescence Properties of Copper(I) and Gold(I) Complexes Bearing 2-Phenylpyridine Ligands","Organometallics","2016","35","5","629","","10.1021/acs.organomet.5b00904","","x-ray","0.71073","MoKα","K-L~3~","0.0674","0.0487","","","","0.1367","","","","","","1.0518","","","","has coordinates","237328","2020-10-21","18:00:00",""
"4088170","23.2459","0.0009","11.1259","0.0004","16.3586","0.0006","90","","122.551","0.001","90","","3566.2","0.2","100","","100","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C11 H5 F4 N -","- C11 H5 F4 N -","- C176 H80 F64 N16 -","16","2","","Molteni, Roberto; Edkins, Katharina; Haehnel, Martin; Steffen, Andreas","C‒H Activation of Fluoroarenes: Synthesis, Structure, and Luminescence Properties of Copper(I) and Gold(I) Complexes Bearing 2-Phenylpyridine Ligands","Organometallics","2016","35","5","629","","10.1021/acs.organomet.5b00904","","x-ray","0.71073","MoKα","K-L~3~","0.0484","0.0345","","","","0.1029","","","","","","1.0714","","","","has coordinates","237330","2020-10-21","18:00:00",""
"4088171","12.109","0.0003","23.1668","0.0006","25.8891","0.0007","90","","90","","90","","7262.6","0.3","100","","100","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C42 H31 Br F4 P2 Pd -","- C42 H31 Br F4 P2 Pd -","- C336 H248 Br8 F32 P16 Pd8 -","8","1","","Molteni, Roberto; Edkins, Katharina; Haehnel, Martin; Steffen, Andreas","C‒H Activation of Fluoroarenes: Synthesis, Structure, and Luminescence Properties of Copper(I) and Gold(I) Complexes Bearing 2-Phenylpyridine Ligands","Organometallics","2016","35","5","629","","10.1021/acs.organomet.5b00904","","x-ray","0.71073","MoKα","K-L~3~","0.0554","0.0363","","","","0.1199","","","","","","1.023","","","","has coordinates,has disorder","237332","2020-10-21","18:00:00",""
"4088172","18.9466","0.0013","15.9116","0.0011","19.9904","0.0013","90","","102.964","0.002","90","","5872.9","0.7","100","","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C30 H41.5 Cu N3.5 O -","- C30 H41.5 Cu N3.5 O -","- C240 H332 Cu8 N28 O8 -","8","2","","Molteni, Roberto; Edkins, Katharina; Haehnel, Martin; Steffen, Andreas","C‒H Activation of Fluoroarenes: Synthesis, Structure, and Luminescence Properties of Copper(I) and Gold(I) Complexes Bearing 2-Phenylpyridine Ligands","Organometallics","2016","35","5","629","","10.1021/acs.organomet.5b00904","","x-ray","0.71073","MoKα","K-L~3~","0.0352","0.0282","","","","0.0983","","","","","","1.0521","","","","has coordinates,has disorder","237334","2020-10-21","18:00:00",""
"4088173","19.346","0.003","14.5605","0.0018","20.15","0.003","90","","105.846","0.006","90","","5460.3","1.4","173","","173","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","Tetraethylammonium (?2-carbonyl)-(?2-hydrido)-(?3-hydridoarsinidene)-decacarbonyl-tri-iron","","- C19 H22 As Fe3 N O11 -","- C19 H22 As Fe3 N O11 -","- C152 H176 As8 Fe24 N8 O88 -","8","1","","Schipper, Desmond E.; Young, Benjamin E.; Whitmire, Kenton H.","Transformations in Transition-Metal Carbonyls Containing Arsenic: Exploring the Chemistry of [Et4N]2[HAs{Fe(CO)4}3] in the Search for Single-Source Precursors for Advanced Metal Pnictide Materials","Organometallics","2016","35","4","471","","10.1021/acs.organomet.5b00906","","","0.71073","MoKα","","0.049","0.0349","","","0.0764","0.0872","","","","","","1.13","","","","has coordinates,has disorder","237337","2020-10-21","18:00:00",""
"4088174","10.272","0.003","11.695","0.004","25.052","0.008","90","","97.835","0.004","90","","2981.4","1.6","173","","173","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Tetraethylammonium (?2-carbonyl)-tridecacarbonyl-arsenic-tetra-iron","","- C22 H20 As Fe4 N O14 -","- C22 H20 As Fe4 N O14 -","- C88 H80 As4 Fe16 N4 O56 -","4","1","","Schipper, Desmond E.; Young, Benjamin E.; Whitmire, Kenton H.","Transformations in Transition-Metal Carbonyls Containing Arsenic: Exploring the Chemistry of [Et4N]2[HAs{Fe(CO)4}3] in the Search for Single-Source Precursors for Advanced Metal Pnictide Materials","Organometallics","2016","35","4","471","","10.1021/acs.organomet.5b00906","","","0.71073","MoKα","","0.0684","0.0396","","","0.0868","0.1075","","","","","","1.118","","","","has coordinates","237337","2020-10-21","18:00:00",""
"4088175","18.3684","0.0011","17.8643","0.0012","18.3983","0.0013","90","","100.377","0.002","90","","5938.4","0.7","173","","173","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Tetraethylammonium bis(?2-hydrido)-tridecacarbonyl-arsenic-tetra-iron","","- C21 H22 As Fe4 N O13 -","- C21 H22 As Fe4 N O13 -","- C168 H176 As8 Fe32 N8 O104 -","8","2","","Schipper, Desmond E.; Young, Benjamin E.; Whitmire, Kenton H.","Transformations in Transition-Metal Carbonyls Containing Arsenic: Exploring the Chemistry of [Et4N]2[HAs{Fe(CO)4}3] in the Search for Single-Source Precursors for Advanced Metal Pnictide Materials","Organometallics","2016","35","4","471","","10.1021/acs.organomet.5b00906","","","0.71073","MoKα","","0.0829","0.0437","","","0.0916","0.1194","","","","","","1.176","","","","has coordinates,has disorder","237337","2020-10-21","18:00:00",""
"4088176","12.62","0.008","14.615","0.009","17.279","0.011","90","","94.531","0.008","90","","3177","3","173","","173","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","Tetraethylammonium (?2-carbonyl)-(?2-hydrido)-(?4-arsenic)-pentadecacarbonyl-tri-iron-manganese","","- C23 H21 As Fe3 Mn N O15 -","- C23 H21 As Fe3 Mn N O15 -","- C92 H84 As4 Fe12 Mn4 N4 O60 -","4","1","","Schipper, Desmond E.; Young, Benjamin E.; Whitmire, Kenton H.","Transformations in Transition-Metal Carbonyls Containing Arsenic: Exploring the Chemistry of [Et4N]2[HAs{Fe(CO)4}3] in the Search for Single-Source Precursors for Advanced Metal Pnictide Materials","Organometallics","2016","35","4","471","","10.1021/acs.organomet.5b00906","","","0.71073","MoKα","","0.0593","0.0485","","","0.1301","0.1416","","","","","","1.067","","","","has coordinates,has disorder","237337","2020-10-21","18:00:00",""
"4088177","17.645","0.004","16.163","0.003","11.135","0.002","90","","90","","90","","3175.7","1.1","173","","173","","","","","","","","","8","P n a 21","P 2c -2n","33","","Tetraethylammonium (?2-carbonyl)-(bromo-tetracarbonyl-manganese)-nonacarbonyl-arsenic-tri-iron","","- C22 H20 As Br Fe3 Mn N O14 -","- C22 H20 As Br Fe3 Mn N O14 -","- C88 H80 As4 Br4 Fe12 Mn4 N4 O56 -","4","1","","Schipper, Desmond E.; Young, Benjamin E.; Whitmire, Kenton H.","Transformations in Transition-Metal Carbonyls Containing Arsenic: Exploring the Chemistry of [Et4N]2[HAs{Fe(CO)4}3] in the Search for Single-Source Precursors for Advanced Metal Pnictide Materials","Organometallics","2016","35","4","471","","10.1021/acs.organomet.5b00906","","","0.71073","MoKα","","0.0576","0.0367","","","0.0773","0.0918","","","","","","1.153","","","","has coordinates","237337","2020-10-21","18:00:00",""
"4088178","12.513","0.006","11.826","0.006","14.665","0.007","90","","99.276","0.005","90","","2141.7","1.8","173","","173","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","bis(?2-hydrido)-tetradecacarbonyl-arsenic-tri-iron-manganese","","- C14 H2 As Fe3 Mn O14 -","- C14 H2 As Fe3 Mn O14 -","- C56 H8 As4 Fe12 Mn4 O56 -","4","1","","Schipper, Desmond E.; Young, Benjamin E.; Whitmire, Kenton H.","Transformations in Transition-Metal Carbonyls Containing Arsenic: Exploring the Chemistry of [Et4N]2[HAs{Fe(CO)4}3] in the Search for Single-Source Precursors for Advanced Metal Pnictide Materials","Organometallics","2016","35","4","471","","10.1021/acs.organomet.5b00906","","","0.71073","MoKα","","0.1223","0.0501","","","0.098","0.134","","","","","","1.032","","","","has coordinates","237337","2020-10-21","18:00:00",""
"4088179","9.638","0.004","11.839","0.005","20.674","0.009","90","","99.172","0.004","90","","2328.8","1.7","173","","173","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(?4-arsenic)-hexadecacarbonyl-tri-iron-manganese","","- C16 As Fe3 Mn O16 -","- C16 As Fe3 Mn O16 -","- C64 As4 Fe12 Mn4 O64 -","4","1","","Schipper, Desmond E.; Young, Benjamin E.; Whitmire, Kenton H.","Transformations in Transition-Metal Carbonyls Containing Arsenic: Exploring the Chemistry of [Et4N]2[HAs{Fe(CO)4}3] in the Search for Single-Source Precursors for Advanced Metal Pnictide Materials","Organometallics","2016","35","4","471","","10.1021/acs.organomet.5b00906","","","0.71073","MoKα","","0.0646","0.0412","","","0.0937","0.1115","","","","","","1.148","","","","has coordinates","237337","2020-10-21","18:00:00",""
"4088180","10.239","0.006","15.472","0.009","15.181","0.009","90","","91.426","0.008","90","","2404","2","173","","173","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","(?4-arsenic)-hexadecacarbonyl-tri-iron-manganese","","- C16 As Fe3 Mn O16 -","- C16 As Fe3 Mn O16 -","- C64 As4 Fe12 Mn4 O64 -","4","1","","Schipper, Desmond E.; Young, Benjamin E.; Whitmire, Kenton H.","Transformations in Transition-Metal Carbonyls Containing Arsenic: Exploring the Chemistry of [Et4N]2[HAs{Fe(CO)4}3] in the Search for Single-Source Precursors for Advanced Metal Pnictide Materials","Organometallics","2016","35","4","471","","10.1021/acs.organomet.5b00906","","","0.71073","MoKα","","0.0851","0.0597","","","0.1508","0.1792","","","","","","1.044","","","","has coordinates","237337","2020-10-21","18:00:00",""
"4088181","10.113","0.005","11.878","0.006","25.008","0.012","90","","98.326","0.007","90","","2972","3","173","2","173","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Tetraethylammonium (?2-carbonyl)-tridecacarbonyl-phosphorus-tetra-iron","","- C22 H20 Fe4 N O14 P -","- C22 H20 Fe4 N O14 P -","- C88 H80 Fe16 N4 O56 P4 -","4","1","","Schipper, Desmond E.; Young, Benjamin E.; Whitmire, Kenton H.","Transformations in Transition-Metal Carbonyls Containing Arsenic: Exploring the Chemistry of [Et4N]2[HAs{Fe(CO)4}3] in the Search for Single-Source Precursors for Advanced Metal Pnictide Materials","Organometallics","2016","35","4","471","","10.1021/acs.organomet.5b00906","","","0.71073","MoKα","","0.1636","0.073","","","0.1766","0.2475","","","","","","1.053","","","","has coordinates","237337","2020-10-21","18:00:00",""
"4088182","10.288","0.003","10.829","0.003","13.322","0.004","85.368","0.006","72.18","0.005","63.267","0.005","1259.1","0.6","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C25 H40 O2 P2 Ru -","- C25 H40 O2 P2 Ru -","- C50 H80 O4 P4 Ru2 -","2","1","","Zhang, Yuxuan; Fang, Huaquan; Yao, Wubing; Leng, Xuebing; Huang, Zheng","Synthesis of Pincer Hydrido Ruthenium Olefin Complexes for Catalytic Alkane Dehydrogenation","Organometallics","2016","35","2","181","","10.1021/acs.organomet.5b00912","","","0.71073","MoKα","","0.0387","0.0287","","","0.0656","0.0705","","","","","","1.031","","","","has coordinates","237341","2020-10-21","18:00:00",""
"4088183","15.0644","0.001","29.8369","0.0019","11.2616","0.0007","90","","90","","90","","5061.8","0.6","130","","130","","","","","","","","","4","I b a 2","I 2 -2c","45","","","","- C27 H43 P2 Ru -","- C27 H43 P2 Ru -","- C216 H344 P16 Ru8 -","8","1","","Zhang, Yuxuan; Fang, Huaquan; Yao, Wubing; Leng, Xuebing; Huang, Zheng","Synthesis of Pincer Hydrido Ruthenium Olefin Complexes for Catalytic Alkane Dehydrogenation","Organometallics","2016","35","2","181","","10.1021/acs.organomet.5b00912","","","0.71073","MoKα","","0.0299","0.0254","","","0.0572","0.0591","","","","","","1.057","","","","has coordinates","237343","2020-10-21","18:00:00",""
"4088184","10.1857","0.0006","10.318","0.0006","18.04","0.001","73.459","0.001","85.247","0.001","69.059","0.001","1697.05","0.17","133","2","133","2","","","","","","","","6","P -1","-P 1","2","","","","- C36 H46 Cl O2 P3 Ru -","- C36 H46 Cl O2 P3 Ru -","- C72 H92 Cl2 O4 P6 Ru2 -","2","1","","Zhang, Yuxuan; Fang, Huaquan; Yao, Wubing; Leng, Xuebing; Huang, Zheng","Synthesis of Pincer Hydrido Ruthenium Olefin Complexes for Catalytic Alkane Dehydrogenation","Organometallics","2016","35","2","181","","10.1021/acs.organomet.5b00912","","","0.71073","MoKα","","0.0325","0.0277","","","0.0643","0.0667","","","","","","1.021","","","","has coordinates","237345","2020-10-21","18:00:00",""
"4088185","7.9825","0.0006","36.013","0.003","9.7324","0.0006","90","","115.165","0.005","90","","2532.3","0.3","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C25 H39 Cl O2 P2 Ru -","- C25 H39 Cl O2 P2 Ru -","- C100 H156 Cl4 O8 P8 Ru4 -","4","1","","Zhang, Yuxuan; Fang, Huaquan; Yao, Wubing; Leng, Xuebing; Huang, Zheng","Synthesis of Pincer Hydrido Ruthenium Olefin Complexes for Catalytic Alkane Dehydrogenation","Organometallics","2016","35","2","181","","10.1021/acs.organomet.5b00912","","","0.71073","MoKα","","0.0563","0.0442","","","0.0893","0.0952","","","","","","1.112","","","","has coordinates","237347","2020-10-21","18:00:00",""
"4088189","11.7157","0.0019","17.054","0.003","6.2809","0.001","90","","112.405","0.001","90","","1160.2","0.3","150","","150","","","","","","","","","4","C 1 m 1","C -2y","8","","","","- C16 H36 Pb Si4 -","- C16 H36 Pb Si4 -","- C32 H72 Pb2 Si8 -","2","0.5","","Lee, Vladimir Ya.; Gapurenko, Olga A.; Ito, Yuki; Meguro, Takahiko; Sugasawa, Haruka; Sekiguchi, Akira; Minyaev, Ruslan M.; Minkin, Vladimir I.; Herber, Rolfe H.; Gornitzka, Heinz","Pyramidanes: The Covalent Form of the Ionic Compounds","Organometallics","2016","35","3","346","","10.1021/acs.organomet.5b00924","","","0.71073","MoKα","","0.0189","0.0189","","","0.046","0.046","","","","","","1.065","","","","has coordinates","237351","2020-10-21","18:00:00",""
"4088190","11.6135","0.0006","17.5625","0.0009","11.4704","0.0006","90","","90","","90","","2339.5","0.2","150","","150","","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C16 H36 Ge Si4 -","- C16 H36 Ge Si4 -","- C64 H144 Ge4 Si16 -","4","0.5","","Lee, Vladimir Ya.; Gapurenko, Olga A.; Ito, Yuki; Meguro, Takahiko; Sugasawa, Haruka; Sekiguchi, Akira; Minyaev, Ruslan M.; Minkin, Vladimir I.; Herber, Rolfe H.; Gornitzka, Heinz","Pyramidanes: The Covalent Form of the Ionic Compounds","Organometallics","2016","35","3","346","","10.1021/acs.organomet.5b00924","","","0.71073","MoKα","","0.0254","0.0242","","","0.0707","0.0716","","","","","","1.082","","","","has coordinates","237353","2020-10-21","18:00:00",""
"4088191","12.7913","0.0008","12.8192","0.0008","16.8594","0.0011","68.348","0.001","87.935","0.001","76.584","0.001","2495.6","0.3","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C36 H84 Si8 Sn -","- C36 H84 Si8 Sn -","- C72 H168 Si16 Sn2 -","2","1","","Lee, Vladimir Ya.; Gapurenko, Olga A.; Ito, Yuki; Meguro, Takahiko; Sugasawa, Haruka; Sekiguchi, Akira; Minyaev, Ruslan M.; Minkin, Vladimir I.; Herber, Rolfe H.; Gornitzka, Heinz","Pyramidanes: The Covalent Form of the Ionic Compounds","Organometallics","2016","35","3","346","","10.1021/acs.organomet.5b00924","","","0.71073","MoKα","","0.0341","0.0332","","","0.0867","0.0874","","","","","","1.085","","","","has coordinates,has disorder","237354","2020-10-21","18:00:00",""
"4088196","11.4727","0.0004","16.3099","0.0004","16.4907","0.0005","93.934","0.002","107.911","0.003","91.817","0.002","2924.71","0.16","100","10","100","10","","","","","","","","6","P -1","-P 1","2","","","","- C62 H50 Al B F20 N2 -","- C62 H50 Al B F20 N2 -","- C124 H100 Al2 B2 F40 N4 -","2","1","","Stennett, Tom E.; Pahl, Jürgen; Zijlstra, Harmen S.; Seidel, Falk W.; Harder, Sjoerd","A Frustrated Lewis Pair Based on a Cationic Aluminum Complex and Triphenylphosphine","Organometallics","2016","35","2","207","","10.1021/acs.organomet.5b00927","","","1.54184","CuKα","","0.041","0.0353","","","0.0891","0.0935","","","","","","1.022","","","","has coordinates","237359","2020-10-21","18:00:00",""
"4088197","12.0112","0.0003","15.6917","0.0004","19.6252","0.0005","72.151","0.003","88.283","0.002","86.427","0.002","3513.77","0.17","100.01","0.1","100.01","0.1","","","","","","","","8","P -1","-P 1","2","","","","- C73 H59 Al B F20 N2 O2 P -","- C73 H59 Al B F20 N2 O2 P -","- C146 H118 Al2 B2 F40 N4 O4 P2 -","2","1","","Stennett, Tom E.; Pahl, Jürgen; Zijlstra, Harmen S.; Seidel, Falk W.; Harder, Sjoerd","A Frustrated Lewis Pair Based on a Cationic Aluminum Complex and Triphenylphosphine","Organometallics","2016","35","2","207","","10.1021/acs.organomet.5b00927","","x-ray","1.54184","CuKα","","0.0414","0.0378","","","0.1016","0.1046","","","","","","1.055","","","","has coordinates","237361","2020-10-21","18:00:00",""
"4088198","12.88268","0.00018","15.0778","0.0003","33.4651","0.0005","90","","99.3265","0.0015","90","","6414.41","0.19","100","","100","","","","","","","","","9","P 1 21/n 1","-P 2yn","14","","","","- C66 H64.95 Al B Br0.05 F20 N2 O P -","- C66 H64.95 Al B Br0.05 F20 N2 O P -","- C264 H259.8 Al4 B4 Br0.2 F80 N8 O4 P4 -","4","1","","Stennett, Tom E.; Pahl, Jürgen; Zijlstra, Harmen S.; Seidel, Falk W.; Harder, Sjoerd","A Frustrated Lewis Pair Based on a Cationic Aluminum Complex and Triphenylphosphine","Organometallics","2016","35","2","207","","10.1021/acs.organomet.5b00927","","x-ray","1.54184","CuKα","","0.0429","0.0373","","","0.0946","0.0994","","","","","","1.017","","","","has coordinates,has disorder","237363","2020-10-21","18:00:00",""
"4088199","11.0872","0.0003","17.0047","0.0004","19.8107","0.0007","93.536","0.002","105.636","0.003","91.5752","0.0018","3586.15","0.19","100.01","0.1","100.01","0.1","","","","","","","","7","P -1","-P 1","2","","","","- C80 H65 Al B F20 N2 P -","- C80 H65 Al B F20 N2 P -","- C160 H130 Al2 B2 F40 N4 P2 -","2","1","","Stennett, Tom E.; Pahl, Jürgen; Zijlstra, Harmen S.; Seidel, Falk W.; Harder, Sjoerd","A Frustrated Lewis Pair Based on a Cationic Aluminum Complex and Triphenylphosphine","Organometallics","2016","35","2","207","","10.1021/acs.organomet.5b00927","","x-ray","1.54184","CuKα","","0.0381","0.0339","","","0.0847","0.0881","","","","","","1.016","","","","has coordinates","237365","2020-10-21","18:00:00",""
"4088200","14.6101","0.0002","16.7664","0.0003","18.2804","0.0004","91.2573","0.0015","104.864","0.0016","105.681","0.0016","4146.91","0.14","100","","100","","","","","","","","","7","P -1","-P 1","2","","","","- C85 H89 Al2 B F20 N4 O2 -","- C85 H89 Al2 B F20 N4 O2 -","- C170 H178 Al4 B2 F40 N8 O4 -","2","1","","Stennett, Tom E.; Pahl, Jürgen; Zijlstra, Harmen S.; Seidel, Falk W.; Harder, Sjoerd","A Frustrated Lewis Pair Based on a Cationic Aluminum Complex and Triphenylphosphine","Organometallics","2016","35","2","207","","10.1021/acs.organomet.5b00927","","x-ray","1.54184","CuKα","","0.0455","0.0413","","","0.1095","0.1141","","","","","","1.024","","","","has coordinates","237367","2020-10-21","18:00:00",""
"4088201","12.6665","0.0003","14.7992","0.0004","18.493","0.0005","76.039","0.002","78.861","0.002","89.216","0.002","3298.83","0.15","100","","100","","","","","","","","","7","P -1","-P 1","2","","","","- C72 H59 Al B F20 N2 P -","- C72 H59 Al B F20 N2 P -","- C144 H118 Al2 B2 F40 N4 P2 -","2","1","","Stennett, Tom E.; Pahl, Jürgen; Zijlstra, Harmen S.; Seidel, Falk W.; Harder, Sjoerd","A Frustrated Lewis Pair Based on a Cationic Aluminum Complex and Triphenylphosphine","Organometallics","2016","35","2","207","","10.1021/acs.organomet.5b00927","","x-ray","1.54184","CuKα","","0.039","0.0337","","","0.085","0.0899","","","","","","1.022","","","","has coordinates","237369","2020-10-21","18:00:00",""
"4088202","12.0147","0.0003","31.3266","0.0007","20.4013","0.0004","90","","92.019","0.002","90","","7673.9","0.3","293.53","0.1","293.53","0.1","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C78 H71 Al B F20 N2 P -","- C78 H71 Al B F20 N2 P -","- C312 H284 Al4 B4 F80 N8 P4 -","4","1","","Stennett, Tom E.; Pahl, Jürgen; Zijlstra, Harmen S.; Seidel, Falk W.; Harder, Sjoerd","A Frustrated Lewis Pair Based on a Cationic Aluminum Complex and Triphenylphosphine","Organometallics","2016","35","2","207","","10.1021/acs.organomet.5b00927","","x-ray","1.54184","CuKα","","0.0961","0.0877","","","0.1957","0.2008","","","","","","1.073","","","","has coordinates,has disorder","237371","2020-10-21","18:00:00",""
"4088203","17.276","0.0003","15.8452","0.0002","20.1635","0.0003","90","","97.3436","0.0015","90","","5474.32","0.14","99.94","0.13","99.94","0.13","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C56 H47 Al B F20 N3 -","- C56 H47 Al B F20 N3 -","- C224 H188 Al4 B4 F80 N12 -","4","1","","Stennett, Tom E.; Pahl, Jürgen; Zijlstra, Harmen S.; Seidel, Falk W.; Harder, Sjoerd","A Frustrated Lewis Pair Based on a Cationic Aluminum Complex and Triphenylphosphine","Organometallics","2016","35","2","207","","10.1021/acs.organomet.5b00927","","","1.54184","CuKα","","0.0431","0.0359","","","0.0878","0.0933","","","","","","1.029","","","","has coordinates","237373","2020-10-21","18:00:00",""
"4088204","13.29789","0.00009","30.4115","0.0002","19.62736","0.00014","90","","104.378","0.0008","90","","7688.88","0.1","100","","100","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C43 H17 B Cl F20 P -","- C43 H17 B Cl F20 P -","- C344 H136 B8 Cl8 F160 P8 -","8","2","","Stennett, Tom E.; Pahl, Jürgen; Zijlstra, Harmen S.; Seidel, Falk W.; Harder, Sjoerd","A Frustrated Lewis Pair Based on a Cationic Aluminum Complex and Triphenylphosphine","Organometallics","2016","35","2","207","","10.1021/acs.organomet.5b00927","","x-ray","1.54184","CuKα","","0.0336","0.0305","","","0.0779","0.0803","","","","","","1.045","","","","has coordinates","237375","2020-10-21","18:00:00",""
"4088205","25.7342","0.0008","9.9023","0.0004","18.1648","0.0009","90","","132.487","0.002","90","","3413.5","0.3","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","U(IV) trans benzyne","","- C36 H46 Li2 N4 U -","- C36 H46 Li2 N4 U -","- C144 H184 Li8 N16 U4 -","4","0.5","","Pedrick, Elizabeth A.; Seaman, Lani A.; Scott, Joshua C.; Griego, Leonel; Wu, Guang; Hayton, Trevor W.","Synthesis and Reactivity of a U(IV) Dibenzyne Complex","Organometallics","2016","35","4","494","","10.1021/acs.organomet.5b00929","","","0.71073","MoKα","","0.0369","0.0263","","","0.0501","0.0525","","","","","","0.995","","","","has coordinates","237378","2020-10-21","18:00:00",""
"4088206","21.494","0.005","10.946","0.002","18.895","0.004","90","","109.009","0.004","90","","4203.1","1.5","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","U(IV) cis benzyne","","- C44 H62 Li2 N4 O2 U -","- C44 H62 Li2 N4 O2 U -","- C176 H248 Li8 N16 O8 U4 -","4","1","","Pedrick, Elizabeth A.; Seaman, Lani A.; Scott, Joshua C.; Griego, Leonel; Wu, Guang; Hayton, Trevor W.","Synthesis and Reactivity of a U(IV) Dibenzyne Complex","Organometallics","2016","35","4","494","","10.1021/acs.organomet.5b00929","","","0.71073","MoKα","","0.0918","0.0419","","","0.0614","0.0765","","","","","","0.929","","","","has coordinates","237378","2020-10-21","18:00:00",""
"4088207","17.3133","0.0007","13.2031","0.0006","20.2884","0.0008","90","","102.751","0.002","90","","4523.3","0.3","102","2","102","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C56 H61 Li N3 O2 U -","- C56 H54 Li N3 O2 U -","- C224 H216 Li4 N12 O8 U4 -","4","1","","Pedrick, Elizabeth A.; Seaman, Lani A.; Scott, Joshua C.; Griego, Leonel; Wu, Guang; Hayton, Trevor W.","Synthesis and Reactivity of a U(IV) Dibenzyne Complex","Organometallics","2016","35","4","494","","10.1021/acs.organomet.5b00929","","","0.71073","MoKα","","0.0612","0.0356","","","0.0734","0.0807","","","","","","1.01","","","","has coordinates","237378","2020-10-21","18:00:00",""
"4088208","11.966","0.003","26.333","0.007","25.774","0.007","90","","92.425","0.005","90","","8114","4","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C76 H105 Li2 N10 O9 U -","- C76 H95 Li2 N10 O9 U -","- C304 H380 Li8 N40 O36 U4 -","4","1","","Pedrick, Elizabeth A.; Seaman, Lani A.; Scott, Joshua C.; Griego, Leonel; Wu, Guang; Hayton, Trevor W.","Synthesis and Reactivity of a U(IV) Dibenzyne Complex","Organometallics","2016","35","4","494","","10.1021/acs.organomet.5b00929","","","0.71073","MoKα","","0.1355","0.0806","","","0.2109","0.245","","","","","","1.035","","","","has coordinates,has disorder","237378","2020-10-21","18:00:00",""
"4088209","9.993","0.003","19.938","0.004","22.005","0.006","90","","100.579","0.008","90","","4310","2","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C47 H51 Li2 N5 O U -","- C47 H51 Li2 N5 O U -","- C188 H204 Li8 N20 O4 U4 -","4","1","","Pedrick, Elizabeth A.; Seaman, Lani A.; Scott, Joshua C.; Griego, Leonel; Wu, Guang; Hayton, Trevor W.","Synthesis and Reactivity of a U(IV) Dibenzyne Complex","Organometallics","2016","35","4","494","","10.1021/acs.organomet.5b00929","","","0.71073","MoKα","","0.1785","0.0722","","","0.1245","0.1562","","","","","","0.959","","","","has coordinates","237378","2020-10-21","18:00:00",""
"4088210","13.8993","0.0007","15.3472","0.0008","20.0927","0.0011","90","","90","","90","","4286.1","0.4","293","2","293.15","","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C22 H22 Cl2 N2 O Ru -","- C22 H22 Cl2 N2 O Ru -","- C176 H176 Cl16 N16 O8 Ru8 -","8","2","","Jia, Wei-Guo; Zhang, Hui; Zhang, Tai; Xie, Dong; Ling, Shuo; Sheng, En-Hong","Half-Sandwich Ruthenium Complexes with Schiff-Base Ligands: Syntheses, Characterization, and Catalytic Activities for the Reduction of Nitroarenes","Organometallics","2016","35","4","503","","10.1021/acs.organomet.5b00933","","","0.71073","MoKα","","0.0351","0.0265","","","0.0599","0.0648","","","","","","1.016","","","","has coordinates","237380","2020-10-21","18:00:00",""
"4088211","8.1235","0.0005","21.4146","0.0014","13.0167","0.0009","90","","94.238","0.001","90","","2258.2","0.3","173","2","173","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C24 H22 Br Cl N2 O Ru S -","- C24 H22 Br Cl N2 O Ru S -","- C96 H88 Br4 Cl4 N8 O4 Ru4 S4 -","4","1","","Jia, Wei-Guo; Zhang, Hui; Zhang, Tai; Xie, Dong; Ling, Shuo; Sheng, En-Hong","Half-Sandwich Ruthenium Complexes with Schiff-Base Ligands: Syntheses, Characterization, and Catalytic Activities for the Reduction of Nitroarenes","Organometallics","2016","35","4","503","","10.1021/acs.organomet.5b00933","","","0.71073","MoKα","","0.0307","0.0261","","","0.0704","0.0731","","","","","","1.039","","","","has coordinates","237380","2020-10-21","18:00:00",""
"4088212","7.9196","0.001","14.426","0.002","25.637","0.004","90","","93.516","0.007","90","","2923.5","0.7","110","","110","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C27 H43 Cl2 O P2 Re -","- C27 H43 Cl2 O P2 Re -","- C108 H172 Cl8 O4 P8 Re4 -","4","1","","Kosanovich, Alex J.; Reibenspies, Joseph H.; Ozerov, Oleg V.","Complexes of High-Valent Rhenium Supported by the PCP Pincer","Organometallics","2016","35","4","513","","10.1021/acs.organomet.5b00935","","","0.71073","MoKα","","0.0573","0.0356","","","0.0606","0.0666","","","","","","1.097","","","","has coordinates,has disorder","237382","2020-10-21","18:00:00",""
"4088213","8.349","0.004","17.552","0.008","19.093","0.008","90","","94.877","0.005","90","","2788","2","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C27 H49 N2 P2 Re -","- C27 H49 N2 P2 Re -","- C108 H196 N8 P8 Re4 -","4","1","","Kosanovich, Alex J.; Reibenspies, Joseph H.; Ozerov, Oleg V.","Complexes of High-Valent Rhenium Supported by the PCP Pincer","Organometallics","2016","35","4","513","","10.1021/acs.organomet.5b00935","","","0.71073","MoKα","","0.0521","0.0341","","","0.0673","0.0747","","","","","","1.034","","","","has coordinates","237382","2020-10-21","18:00:00",""
"4088214","9.7816","0.0003","11.4718","0.0004","13.8868","0.0005","88.356","0.002","84.728","0.002","69.234","0.001","1450.87","0.09","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C25 H26 Cl6 N4 Pd -","- C25 H26 Cl6 N4 Pd -","- C50 H52 Cl12 N8 Pd2 -","2","1","","Kinzhalov, Mikhail A.; Timofeeva, Svetlana A.; Luzyanin, Konstantin V.; Boyarskiy, Vadim P.; Yakimanskiy, Anton A.; Haukka, Matti; Kukushkin, Vadim Yu.","Palladium(II)-Mediated Addition of Benzenediamines to Isocyanides: Generation of Three Types of Diaminocarbene Ligands Depending on the Isomeric Structure of the Nucleophile","Organometallics","2016","35","2","218","","10.1021/acs.organomet.5b00936","","","0.71073","MoKα","","0.0508","0.0352","","","0.0728","0.0785","","","","","","1.031","","","","has coordinates,has disorder","237385","2020-10-21","18:00:00",""
"4088215","10.7049","0.0008","16.0871","0.0012","18.6724","0.0014","104.22","0.004","95.86","0.004","97.794","0.004","3057.4","0.4","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C47 H42 Cl18 N8 Pd2 -","- C47 H42 Cl18 N8 Pd2 -","- C94 H84 Cl36 N16 Pd4 -","2","1","","Kinzhalov, Mikhail A.; Timofeeva, Svetlana A.; Luzyanin, Konstantin V.; Boyarskiy, Vadim P.; Yakimanskiy, Anton A.; Haukka, Matti; Kukushkin, Vadim Yu.","Palladium(II)-Mediated Addition of Benzenediamines to Isocyanides: Generation of Three Types of Diaminocarbene Ligands Depending on the Isomeric Structure of the Nucleophile","Organometallics","2016","35","2","218","","10.1021/acs.organomet.5b00936","","","0.71073","MoKα","","0.0807","0.0481","","","0.09","0.108","","","","","","1.138","","","","has coordinates,has disorder","237386","2020-10-21","18:00:00",""
"4088216","13.4944","0.0007","13.7188","0.0006","13.9543","0.0007","78.85","0.004","61.296","0.005","85.051","0.004","2223","0.2","123","2","123","2","","","","","","","","5","P -1","-P 1","2","","","","- C39 H46.5 Cl4 N9.5 Pd -","- C39 H46.5 Cl4 N9.5 Pd -","- C78 H93 Cl8 N19 Pd2 -","2","1","","Kinzhalov, Mikhail A.; Timofeeva, Svetlana A.; Luzyanin, Konstantin V.; Boyarskiy, Vadim P.; Yakimanskiy, Anton A.; Haukka, Matti; Kukushkin, Vadim Yu.","Palladium(II)-Mediated Addition of Benzenediamines to Isocyanides: Generation of Three Types of Diaminocarbene Ligands Depending on the Isomeric Structure of the Nucleophile","Organometallics","2016","35","2","218","","10.1021/acs.organomet.5b00936","","","1.54184","CuKα","","0.0407","0.0371","","","0.1028","0.1067","","","","","","1.037","","","","has coordinates","237388","2020-10-21","18:00:00",""
"4088217","11.6073","0.0011","14.5694","0.0014","20.3773","0.0019","92.557","0.004","96.674","0.004","99.141","0.004","3372.2","0.6","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H33 Cl4 N7 Pd -","- C30 H33 Cl4 N7 Pd -","- C120 H132 Cl16 N28 Pd4 -","4","2","","Kinzhalov, Mikhail A.; Timofeeva, Svetlana A.; Luzyanin, Konstantin V.; Boyarskiy, Vadim P.; Yakimanskiy, Anton A.; Haukka, Matti; Kukushkin, Vadim Yu.","Palladium(II)-Mediated Addition of Benzenediamines to Isocyanides: Generation of Three Types of Diaminocarbene Ligands Depending on the Isomeric Structure of the Nucleophile","Organometallics","2016","35","2","218","","10.1021/acs.organomet.5b00936","","","0.71073","MoKα","","0.0906","0.0755","","","0.1579","0.1641","","","","","","1.171","","","","has coordinates,has disorder","237389","2020-10-21","18:00:00",""
"4088218","10.3614","0.0004","11.4558","0.0004","12.0112","0.0004","71.254","0.002","74.8","0.002","88.602","0.002","1300.05","0.08","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C40 H34 Cl14 N6 Pd2 -","- C40 H34 Cl14 N6 Pd2 -","- C40 H34 Cl14 N6 Pd2 -","1","0.5","","Kinzhalov, Mikhail A.; Timofeeva, Svetlana A.; Luzyanin, Konstantin V.; Boyarskiy, Vadim P.; Yakimanskiy, Anton A.; Haukka, Matti; Kukushkin, Vadim Yu.","Palladium(II)-Mediated Addition of Benzenediamines to Isocyanides: Generation of Three Types of Diaminocarbene Ligands Depending on the Isomeric Structure of the Nucleophile","Organometallics","2016","35","2","218","","10.1021/acs.organomet.5b00936","","","0.71073","MoKα","","0.0939","0.0464","","","0.0935","0.1102","","","","","","1.025","","","","has coordinates","237390","2020-10-21","18:00:00",""
"4088219","10.47055","0.00018","16.1732","0.0002","13.8427","0.0003","90","","98.6656","0.0017","90","","2317.4","0.07","123","2","123","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H26 Cl2 N4 Pd -","- C24 H26 Cl2 N4 Pd -","- C96 H104 Cl8 N16 Pd4 -","4","1","","Kinzhalov, Mikhail A.; Timofeeva, Svetlana A.; Luzyanin, Konstantin V.; Boyarskiy, Vadim P.; Yakimanskiy, Anton A.; Haukka, Matti; Kukushkin, Vadim Yu.","Palladium(II)-Mediated Addition of Benzenediamines to Isocyanides: Generation of Three Types of Diaminocarbene Ligands Depending on the Isomeric Structure of the Nucleophile","Organometallics","2016","35","2","218","","10.1021/acs.organomet.5b00936","","","0.71073","MoKα","","0.0643","0.0434","","","0.0984","0.1102","","","","","","1.038","","","","has coordinates","237391","2020-10-21","18:00:00",""
"4088220","13.9639","0.0008","15.2591","0.0009","15.1561","0.0009","90","","103.17","0.004","90","","3144.5","0.3","120","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C26 H24 Cl6 N6 Pd -","- C26 H24 Cl6 N6 Pd -","- C104 H96 Cl24 N24 Pd4 -","4","1","","Kinzhalov, Mikhail A.; Timofeeva, Svetlana A.; Luzyanin, Konstantin V.; Boyarskiy, Vadim P.; Yakimanskiy, Anton A.; Haukka, Matti; Kukushkin, Vadim Yu.","Palladium(II)-Mediated Addition of Benzenediamines to Isocyanides: Generation of Three Types of Diaminocarbene Ligands Depending on the Isomeric Structure of the Nucleophile","Organometallics","2016","35","2","218","","10.1021/acs.organomet.5b00936","","","0.71073","MoKα","","0.0943","0.0449","","","0.0925","0.1154","","","","","","1.101","","","","has coordinates,has disorder","237392","2020-10-21","18:00:00",""
"4088221","20.773","0.004","18.584","0.004","9.807","0.002","90","","90","","90","","3785.9","1.3","180.15","","180.15","","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C39 H50 Fe N2 P4 Si -","- C39 H50 Fe N2 P4 Si -","- C156 H200 Fe4 N8 P16 Si4 -","4","0.5","","Xiong, Zichang; Li, Xiaoyan; Zhang, Shumiao; Shi, Yaomin; Sun, Hongjian","Synthesis and Reactivity of N-Heterocyclic PSiP Pincer Iron and Cobalt Complexes and Catalytic Application of Cobalt Hydride in Kumada Coupling Reactions","Organometallics","2016","35","3","357","","10.1021/acs.organomet.5b00937","","x-ray","0.71073","MoKα","","0.0518","0.0285","","","0.0542","0.0586","","","","","","0.893","","","","has coordinates,has disorder","237394","2020-10-21","18:00:00",""
"4088222","10.1868","0.0003","17.4456","0.0006","21.5534","0.0008","81.77","0.003","86.79","0.003","88.505","0.003","3784.3","0.2","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C39 H49 Co N2 P4 Si -","- C39 H49 Co N2 P4 Si -","- C156 H196 Co4 N8 P16 Si4 -","4","2","","Xiong, Zichang; Li, Xiaoyan; Zhang, Shumiao; Shi, Yaomin; Sun, Hongjian","Synthesis and Reactivity of N-Heterocyclic PSiP Pincer Iron and Cobalt Complexes and Catalytic Application of Cobalt Hydride in Kumada Coupling Reactions","Organometallics","2016","35","3","357","","10.1021/acs.organomet.5b00937","","","0.71073","MoKα","","0.0501","0.035","","","0.0896","0.0942","","","","","","1","","","","has coordinates","237394","2020-10-21","18:00:00",""
"4088223","19.0107","0.0006","17.5446","0.0005","21.335","0.0008","90","","90","","90","","7116","0.4","180","2","180","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C36 H40 Co I N2 P3 Si -","- C36 H40 Co I N2 P3 Si -","- C288 H320 Co8 I8 N16 P24 Si8 -","8","1","","Xiong, Zichang; Li, Xiaoyan; Zhang, Shumiao; Shi, Yaomin; Sun, Hongjian","Synthesis and Reactivity of N-Heterocyclic PSiP Pincer Iron and Cobalt Complexes and Catalytic Application of Cobalt Hydride in Kumada Coupling Reactions","Organometallics","2016","35","3","357","","10.1021/acs.organomet.5b00937","","","0.71073","MoKα","","0.0634","0.0367","","","0.0729","0.0797","","","","","","0.91","","","","has coordinates","237394","2020-10-21","18:00:00",""
"4088224","11.0514","0.0003","18.43","0.0005","17.5607","0.0005","90","","95.886","0.001","90","","3557.86","0.17","296","2","296","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C36 H41 Cl Co N2 P3 Si -","- C36 H41 Cl Co N2 P3 Si -","- C144 H164 Cl4 Co4 N8 P12 Si4 -","4","1","","Xiong, Zichang; Li, Xiaoyan; Zhang, Shumiao; Shi, Yaomin; Sun, Hongjian","Synthesis and Reactivity of N-Heterocyclic PSiP Pincer Iron and Cobalt Complexes and Catalytic Application of Cobalt Hydride in Kumada Coupling Reactions","Organometallics","2016","35","3","357","","10.1021/acs.organomet.5b00937","","","0.71073","MoKα","","0.0351","0.0278","","","0.0645","0.0693","","","","","","1.034","","","","has coordinates","237394","2020-10-21","18:00:00",""
"4088225","8.4285","0.0013","10.3929","0.0016","17.363","0.003","94.9062","0.0018","95.2116","0.0018","111.159","0.0017","1401","0.4","88","2","88","2","","","","","","","","6","P -1","-P 1","2","","","","- C29 H42 Cl N O2 U -","- C29 H42 Cl N O2 U -","- C58 H84 Cl2 N2 O4 U2 -","2","1","","Webster, Christopher L.; Langeslay, Ryan R.; Ziller, Joseph W.; Evans, William J.","Synthetic Utility of Tetrabutylammonium Salts in Uranium Metallocene Chemistry","Organometallics","2016","35","4","520","","10.1021/acs.organomet.5b00942","","","0.71073","MoKα","","0.0403","0.0331","","","0.0807","0.0836","","","","","","1.005","","","","has coordinates","237395","2020-10-21","18:00:00",""
"4088226","11.361","0.0007","11.5361","0.0007","17.3158","0.001","79.0585","0.0006","89.4727","0.0006","66.6659","0.0006","2040.5","0.2","143","2","143","2","","","","","","","","5","P -1","-P 1","2","","","","- C39.5 H70 Cl3 N U -","- C39.5 H70 Cl3 N U -","- C79 H140 Cl6 N2 U2 -","2","1","","Webster, Christopher L.; Langeslay, Ryan R.; Ziller, Joseph W.; Evans, William J.","Synthetic Utility of Tetrabutylammonium Salts in Uranium Metallocene Chemistry","Organometallics","2016","35","4","520","","10.1021/acs.organomet.5b00942","","","0.71073","MoKα","","0.0183","0.0167","","","0.0403","0.041","","","","","","1.032","","","","has coordinates,has disorder","237396","2020-10-21","18:00:00",""
"4088227","18.9445","0.001","16.9108","0.0009","19.7306","0.001","90","","90","","90","","6321","0.6","143","2","143","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C31 H51 N9 U -","- C31 H51 N9 U -","- C248 H408 N72 U8 -","8","1","","Webster, Christopher L.; Langeslay, Ryan R.; Ziller, Joseph W.; Evans, William J.","Synthetic Utility of Tetrabutylammonium Salts in Uranium Metallocene Chemistry","Organometallics","2016","35","4","520","","10.1021/acs.organomet.5b00942","","","0.71073","MoKα","","0.0259","0.0187","","","0.0436","0.0464","","","","","","1.02","","","","has coordinates,has disorder","237397","2020-10-21","18:00:00",""
"4088228","22.7263","0.0018","12.3259","0.001","25.706","0.002","90","","97.0365","0.001","90","","7146.6","1","143","2","143","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C34 H62 Cl2 N U -","- C34 H62 Cl2 N U -","- C272 H496 Cl16 N8 U8 -","8","2","","Webster, Christopher L.; Langeslay, Ryan R.; Ziller, Joseph W.; Evans, William J.","Synthetic Utility of Tetrabutylammonium Salts in Uranium Metallocene Chemistry","Organometallics","2016","35","4","520","","10.1021/acs.organomet.5b00942","","","0.71073","MoKα","","0.036","0.0244","","","0.0517","0.0552","","","","","","1.007","","","","has coordinates","237398","2020-10-21","18:00:00",""
"4088229","21.0303","0.0012","16.6868","0.001","17.6872","0.001","90","","103.962","0.0007","90","","6023.6","0.6","143","2","143","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C52 H102 Cl6 N2 O U2 -","- C52 H102 Cl6 N2 O U2 -","- C208 H408 Cl24 N8 O4 U8 -","4","0.5","","Webster, Christopher L.; Langeslay, Ryan R.; Ziller, Joseph W.; Evans, William J.","Synthetic Utility of Tetrabutylammonium Salts in Uranium Metallocene Chemistry","Organometallics","2016","35","4","520","","10.1021/acs.organomet.5b00942","","","0.71073","MoKα","","0.0417","0.0284","","","0.0644","0.0695","","","","","","1.052","","","","has coordinates,has disorder","237399","2020-10-21","18:00:00",""
"4088230","11.2214","0.0005","11.7908","0.0005","17.7903","0.0008","77.9253","0.0005","88.4904","0.0005","65.5842","0.0005","2091.12","0.16","88","2","88","2","","","","","","","","6","P -1","-P 1","2","","","","- C39.5 H70 Cl2 N2 O3 U -","- C39.5 H70 Cl2 N2 O3 U -","- C79 H140 Cl4 N4 O6 U2 -","2","1","","Webster, Christopher L.; Langeslay, Ryan R.; Ziller, Joseph W.; Evans, William J.","Synthetic Utility of Tetrabutylammonium Salts in Uranium Metallocene Chemistry","Organometallics","2016","35","4","520","","10.1021/acs.organomet.5b00942","","","0.71073","MoKα","","0.0237","0.0202","","","0.0474","0.0486","","","","","","1.048","","","","has coordinates,has disorder","237400","2020-10-21","18:00:00",""
"4088231","11.602","0.003","14.72","0.004","19.504","0.005","90","","90","","90","","3330.9","1.5","273","","273","","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C36 H26 As2 I2 Pt -","- C36 H26 As2 I2 Pt -","- C144 H104 As8 I8 Pt4 -","4","1","","Imoto, Hiroaki; Tanaka, Susumu; Kato, Takuji; Watase, Seiji; Matsukawa, Kimihiro; Yumura, Takashi; Naka, Kensuke","Highly Efficient Solid-State Phosphorescence of Platinum Dihalide Complexes with 9-Phenyl-9-arsafluorene Ligands","Organometallics","2016","35","3","364","","10.1021/acs.organomet.5b00944","","","0.71075","MoKα","","0.0387","0.0353","","","0.0783","0.08","","","","","","1.101","","","","has coordinates","237401","2020-10-21","18:00:00",""
"4088232","8.9443","0.0004","9.6885","0.0004","19.3879","0.0008","97.1321","0.0013","100.579","0.0015","96.5769","0.0013","1622.43","0.12","296","","296","","","","","","","","","5","P -1","-P 1","2","","","","- C36 H26 As2 Cl2 Pt -","- C40 H26 As2 Cl2 Pt -","- C80 H52 As4 Cl4 Pt2 -","2","1","","Imoto, Hiroaki; Tanaka, Susumu; Kato, Takuji; Watase, Seiji; Matsukawa, Kimihiro; Yumura, Takashi; Naka, Kensuke","Highly Efficient Solid-State Phosphorescence of Platinum Dihalide Complexes with 9-Phenyl-9-arsafluorene Ligands","Organometallics","2016","35","3","364","","10.1021/acs.organomet.5b00944","","","0.71075","MoKα","","","0.041","","","","0.1","","","","","","1.013","","","","has coordinates","237402","2020-10-21","18:00:00",""
"4088233","8.9649","0.0002","9.8619","0.0003","19.2946","0.0006","96.9662","0.0014","100.312","0.0012","97.5634","0.0011","1645.25","0.08","296","","296","","","","","","","","","6","P -1","-P 1","2","","","","- C36.5 H27 As2 Br2 Cl Pt -","- C36.5 H27 As2 Br2 Cl Pt -","- C73 H54 As4 Br4 Cl2 Pt2 -","2","1","","Imoto, Hiroaki; Tanaka, Susumu; Kato, Takuji; Watase, Seiji; Matsukawa, Kimihiro; Yumura, Takashi; Naka, Kensuke","Highly Efficient Solid-State Phosphorescence of Platinum Dihalide Complexes with 9-Phenyl-9-arsafluorene Ligands","Organometallics","2016","35","3","364","","10.1021/acs.organomet.5b00944","","","0.71075","MoKα","","0.0575","0.0347","","","0.088","0.1105","","","","","","1.084","","","","has coordinates","237403","2020-10-21","18:00:00",""
"4088234","13.4524","0.0006","9.4903","0.0005","19.058","0.001","90","","99.709","0.001","90","","2398.2","0.2","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C14 H40 B9 N2 Si Ta -","- C14 H40 B9 N2 Si Ta -","- C56 H160 B36 N8 Si4 Ta4 -","4","1","","Xiang, Li; Xie, Zuowei","Tantallacarborane Mediated Consecutive C‒C and C‒N Coupling Reactions of Alkyl Isonitriles: A Facile Route to N-Heterocycles","Organometallics","2016","35","2","233","","10.1021/acs.organomet.5b00953","","","0.71073","MoKα","","0.0326","0.029","","","0.0741","0.079","","","","","","1.1","","","","has coordinates","237404","2020-10-21","18:00:00",""
"4088235","15.7557","0.0008","8.5011","0.0004","17.7367","0.0009","90","","99.707","0.001","90","","2341.7","0.2","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H40 B9 N2 Ta -","- C16 H40 B9 N2 Ta -","- C64 H160 B36 N8 Ta4 -","4","1","","Xiang, Li; Xie, Zuowei","Tantallacarborane Mediated Consecutive C‒C and C‒N Coupling Reactions of Alkyl Isonitriles: A Facile Route to N-Heterocycles","Organometallics","2016","35","2","233","","10.1021/acs.organomet.5b00953","","","0.71073","MoKα","","0.0362","0.03","","","0.0775","0.086","","","","","","1.06","","","","has coordinates","237404","2020-10-21","18:00:00",""
"4088236","10.9949","0.0011","11.4028","0.0011","17.2346","0.0017","90","","102.362","0.002","90","","2110.6","0.4","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C13 H36 B9 N2 Ta -","- C13 H36 B9 N2 Ta -","- C52 H144 B36 N8 Ta4 -","4","1","","Xiang, Li; Xie, Zuowei","Tantallacarborane Mediated Consecutive C‒C and C‒N Coupling Reactions of Alkyl Isonitriles: A Facile Route to N-Heterocycles","Organometallics","2016","35","2","233","","10.1021/acs.organomet.5b00953","","","0.71073","MoKα","","0.0368","0.0314","","","0.0815","0.0879","","","","","","1.058","","","","has coordinates","237404","2020-10-21","18:00:00",""
"4088237","27.3982","0.0017","17.0318","0.0011","21.3897","0.0013","90","","107.78","0.001","90","","9504.6","1","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C29 H73 B9 N5 Si4 Ta -","- C29 H72 B9 N5 Si4 Ta -","- C232 H576 B72 N40 Si32 Ta8 -","8","2","","Xiang, Li; Xie, Zuowei","Tantallacarborane Mediated Consecutive C‒C and C‒N Coupling Reactions of Alkyl Isonitriles: A Facile Route to N-Heterocycles","Organometallics","2016","35","2","233","","10.1021/acs.organomet.5b00953","","","0.71073","MoKα","","0.086","0.0537","","","0.1303","0.1626","","","","","","1.064","","","","has coordinates,has disorder","237404","2020-10-21","18:00:00",""
"4088238","9.5732","0.0004","11.5853","0.0005","16.3387","0.0007","78.036","0.001","88.547","0.001","76.38","0.001","1722.36","0.13","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C25 H57 B9 N5 Ta -","- C25 H57 B9 N5 Ta -","- C50 H114 B18 N10 Ta2 -","2","1","","Xiang, Li; Xie, Zuowei","Tantallacarborane Mediated Consecutive C‒C and C‒N Coupling Reactions of Alkyl Isonitriles: A Facile Route to N-Heterocycles","Organometallics","2016","35","2","233","","10.1021/acs.organomet.5b00953","","","0.71073","MoKα","","0.0759","0.0743","","","0.1815","0.1845","","","","","","1.024","","","","has coordinates","237404","2020-10-21","18:00:00",""
"4088239","10.8167","0.0004","15.3176","0.0006","16.2594","0.0006","98.736","0.001","108.384","0.001","108.638","0.001","2324.79","0.15","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C41 H77 B9 N5 Ta -","- C41 H77 B9 N5 Ta -","- C82 H154 B18 N10 Ta2 -","2","1","","Xiang, Li; Xie, Zuowei","Tantallacarborane Mediated Consecutive C‒C and C‒N Coupling Reactions of Alkyl Isonitriles: A Facile Route to N-Heterocycles","Organometallics","2016","35","2","233","","10.1021/acs.organomet.5b00953","","","0.71073","MoKα","","0.0665","0.0624","","","0.153","0.1581","","","","","","1.024","","","","has coordinates","237404","2020-10-21","18:00:00",""
"4088240","8.3504","0.0006","16.9616","0.0013","11.3968","0.0009","90","","96.84","0.001","90","","1602.7","0.2","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C8 H26 B9 O Ta -","- C8 H26 B9 O Ta -","- C32 H104 B36 O4 Ta4 -","4","1","","Xiang, Li; Xie, Zuowei","Tantallacarborane Mediated Consecutive C‒C and C‒N Coupling Reactions of Alkyl Isonitriles: A Facile Route to N-Heterocycles","Organometallics","2016","35","2","233","","10.1021/acs.organomet.5b00953","","","0.71073","MoKα","","0.0611","0.0577","","","0.1488","0.1538","","","","","","1.031","","","","has coordinates","237404","2020-10-21","18:00:00",""
"4088241","10.8636","0.001","15.6146","0.0016","24.205","0.003","90","","95.392","0.002","90","","4087.7","0.8","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C36 H70 B9 N4 O Ta -","- C36 H70 B9 N4 O Ta -","- C144 H280 B36 N16 O4 Ta4 -","4","1","","Xiang, Li; Xie, Zuowei","Tantallacarborane Mediated Consecutive C‒C and C‒N Coupling Reactions of Alkyl Isonitriles: A Facile Route to N-Heterocycles","Organometallics","2016","35","2","233","","10.1021/acs.organomet.5b00953","","","0.71073","MoKα","","0.0739","0.0592","","","0.1419","0.1549","","","","","","1.031","","","","has coordinates","237404","2020-10-21","18:00:00",""
"4088246","11.4152","0.0006","15.9638","0.0009","19.8855","0.001","95.4893","0.0017","98.277","0.0016","91.0324","0.0016","3567.7","0.3","200","2","200","2","","","","","","","","6","P -1","-P 1","2","","","","- C38 H49 Cl N2 Ru Si -","- C38 H49 Cl N2 Ru Si -","- C152 H196 Cl4 N8 Ru4 Si4 -","4","2","","Mai, Van Hung; Korobkov, Ilia; Nikonov, Georgii I.","Half-Sandwich Silane σ-Complexes of Ruthenium Supported by NHC Carbene","Organometallics","2016","35","7","936","","10.1021/acs.organomet.5b00958","","","0.71073","MoKα","","0.0735","0.0461","","","0.1057","0.1195","","","","","","1.01","","","","has coordinates","251896","2020-10-21","18:00:00",""
"4088247","12.6112","0.0003","14.8442","0.0004","16.5695","0.0004","90","","104.464","0.0014","90","","3003.55","0.13","200","2","200","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C32 H41 Cl N2 Ru -","- C32 H41 Cl N2 Ru -","- C128 H164 Cl4 N8 Ru4 -","4","1","","Mai, Van Hung; Korobkov, Ilia; Nikonov, Georgii I.","Half-Sandwich Silane σ-Complexes of Ruthenium Supported by NHC Carbene","Organometallics","2016","35","7","936","","10.1021/acs.organomet.5b00958","","","0.71073","MoKα","","0.0565","0.0352","","","0.0775","0.0871","","","","","","1.021","","","","has coordinates","237410","2020-10-21","18:00:00",""
"4088248","11.2074","0.0004","11.2257","0.0004","18.4143","0.0006","83.216","0.0015","88.0443","0.0015","60.9801","0.0013","2010.96","0.12","200","2","200","2","","","","","","","","6","P -1","-P 1","2","","","","- C32 H43 Cl7 N2 Ru Si2 -","- C32 H43 Cl7 N2 Ru Si2 -","- C64 H86 Cl14 N4 Ru2 Si4 -","2","1","","Mai, Van Hung; Korobkov, Ilia; Nikonov, Georgii I.","Half-Sandwich Silane σ-Complexes of Ruthenium Supported by NHC Carbene","Organometallics","2016","35","7","936","","10.1021/acs.organomet.5b00958","","","0.71073","MoKα","","0.0755","0.0466","","","0.1221","0.1291","","","","","","1.063","","","","has coordinates","237411","2020-10-21","18:00:00",""
"4088249","17.4593","0.0011","12.4412","0.0008","15.8779","0.001","90","","90","","90","","3448.9","0.4","200","2","200","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C33 H45 Cl3 N2 Ru Si -","- C33 H45 Cl3 N2 Ru Si -","- C132 H180 Cl12 N8 Ru4 Si4 -","4","1","","Mai, Van Hung; Korobkov, Ilia; Nikonov, Georgii I.","Half-Sandwich Silane σ-Complexes of Ruthenium Supported by NHC Carbene","Organometallics","2016","35","7","936","","10.1021/acs.organomet.5b00958","","","0.71073","MoKα","","0.0329","0.0296","","","0.0662","0.0678","","","","","","1.03","","","","has coordinates","237412","2020-10-21","18:00:00",""
"4088250","15.6659","0.0009","16.048","0.0009","25.4887","0.0015","90","","100.752","0.001","90","","6295.5","0.6","233","2","233","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C23 H36 B2 F5 N8 O2 P W -","- C23 H36 B2 F5 N8 O2 P W -","- C184 H288 B16 F40 N64 O16 P8 W8 -","8","1","","MacLeod, Brianna L.; Pienkos, Jared A.; Wilson, Katy B.; Sabat, Michal; Myers, William H.; Harman, W. Dean","Synthesis of Novel Hexahydroindoles from the Dearomatization of Indoline","Organometallics","2016","35","3","370","","10.1021/acs.organomet.5b00959","","","0.71073","MoKα","","0.0361","0.0353","","","0.0821","0.0826","","","","","","1.232","","","","has coordinates","237413","2020-10-21","18:00:00",""
"4088251","11.752","0.003","13.584","0.004","32.731","0.009","90","","90","","90","","5225","2","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C51 H46 Cl8 O9 P2 Pd -","- C51 H46 Cl8 O9 P2 Pd -","- C204 H184 Cl32 O36 P8 Pd4 -","4","1","","Rovira, Laura; Fernández-Pérez, Héctor; Vidal-Ferran, Anton","Palladium-Based Supramolecularly Regulated Catalysts for Asymmetric Allylic Substitutions","Organometallics","2016","35","4","528","","10.1021/acs.organomet.5b00962","","","0.71073","MoKα","","0.099","0.0512","","","0.0931","0.1099","","","","","","0.935","","","","has coordinates,has disorder","237414","2020-10-21","18:00:00",""
"4088252","12.5154","0.0008","22.1406","0.0012","26.2373","0.0017","90","","90","","90","","7270.3","0.8","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C70 H72 Cl2 O13 P2 Pd -","- C70 H72 Cl2 O13 P2 Pd -","- C280 H288 Cl8 O52 P8 Pd4 -","4","1","","Rovira, Laura; Fernández-Pérez, Héctor; Vidal-Ferran, Anton","Palladium-Based Supramolecularly Regulated Catalysts for Asymmetric Allylic Substitutions","Organometallics","2016","35","4","528","","10.1021/acs.organomet.5b00962","","","0.71073","MoKα","","0.1336","0.0657","","","0.1466","0.1675","","","","","","0.982","","","","has coordinates,has disorder","237414","2020-10-21","18:00:00",""
"4088253","7.4062","0.0006","11.3262","0.0009","29.215","0.002","90","","96.7005","0.0017","90","","2433.9","0.3","193","2","193","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C28 H26 N2 O2 Ru2 S -","- C28 H26 N2 O2 Ru2 S -","- C112 H104 N8 O8 Ru8 S4 -","4","1","","Veit, Philipp; Prantl, Ephraim; Förster, Christoph; Heinze, Katja","Competitive NH···Ru/Fe Hydrogen Bonding in Ferrocenyl Ruthenocenyl Tosyl Hydrazone","Organometallics","2016","35","2","249","","10.1021/acs.organomet.5b00963","","","0.71073","MoKα","","0.032","0.0273","","","0.0646","0.0663","","","","","","1.066","","","","has coordinates","237416","2020-10-21","18:00:00",""
"4088254","7.2898","0.0009","11.3748","0.0014","29.218","0.004","90","","95.627","0.002","90","","2411.1","0.5","193","2","193","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C28 H26 Fe N2 O2 Ru S -","- C28 H26 Fe N2 O2 Ru S -","- C112 H104 Fe4 N8 O8 Ru4 S4 -","4","1","","Veit, Philipp; Prantl, Ephraim; Förster, Christoph; Heinze, Katja","Competitive NH···Ru/Fe Hydrogen Bonding in Ferrocenyl Ruthenocenyl Tosyl Hydrazone","Organometallics","2016","35","2","249","","10.1021/acs.organomet.5b00963","","","0.71073","MoKα","","0.0594","0.0453","","","0.1124","0.1191","","","","","","1.003","","","","has coordinates","237417","2020-10-21","18:00:00",""
"4088255","11.8379","0.0005","16.3525","0.0007","17.4766","0.0008","90","","92.699","0.002","90","","3379.4","0.3","100","2","100","2","","","","","","","synthesis as described","3","P 1 21/n 1","-P 2yn","14","","","","- C41 H52 Zr -","- C41 H52 Zr -","- C164 H208 Zr4 -","4","1","","Theurkauff, Gabriel; Bader, Manuela; Marquet, Nicolas; Bondon, Arnaud; Roisnel, Thierry; Guegan, Jean-Paul; Amar, Anissa; Boucekkine, Abdou; Carpentier, Jean-François; Kirillov, Evgueni","Discrete Ionic Complexes of Highly Isoselective Zirconocenes. Solution Dynamics, Trimethylaluminum Adducts, and Implications in Propylene Polymerization","Organometallics","2016","35","2","258","","10.1021/acs.organomet.5b00965","","x-ray","0.71073","MoKα","","0.0631","0.0446","","","0.0884","0.097","","","","","","1.036","","","","has coordinates","237419","2020-10-21","18:00:00",""
"4088256","11.5502","0.0005","11.6399","0.0005","11.7376","0.0005","69.799","0.001","86.134","0.002","70.671","0.002","1395.53","0.11","150","2","150","2","","","","","","","synthesis as described","4","P -1","-P 1","2","","","","- C36 H36 Si Zr -","- C36 H36 Si Zr -","- C72 H72 Si2 Zr2 -","2","1","","Theurkauff, Gabriel; Bader, Manuela; Marquet, Nicolas; Bondon, Arnaud; Roisnel, Thierry; Guegan, Jean-Paul; Amar, Anissa; Boucekkine, Abdou; Carpentier, Jean-François; Kirillov, Evgueni","Discrete Ionic Complexes of Highly Isoselective Zirconocenes. Solution Dynamics, Trimethylaluminum Adducts, and Implications in Propylene Polymerization","Organometallics","2016","35","2","258","","10.1021/acs.organomet.5b00965","","x-ray","0.71073","MoKα","","0.0515","0.0403","","","0.094","0.0998","","","","","","1.067","","","","has coordinates,has disorder","237419","2020-10-21","18:00:00",""
"4088257","11.3858","0.0016","20.846","0.003","26.352","0.004","102.555","0.005","90.026","0.005","98.579","0.005","6033.2","1.5","150","2","150","2","","","","","","","synthesis as described","5","P -1","-P 1","2","","","","- C130 H124 B2 F30 Zr2 -","- C130 H124 B2 F30 Zr2 -","- C260 H248 B4 F60 Zr4 -","2","1","","Theurkauff, Gabriel; Bader, Manuela; Marquet, Nicolas; Bondon, Arnaud; Roisnel, Thierry; Guegan, Jean-Paul; Amar, Anissa; Boucekkine, Abdou; Carpentier, Jean-François; Kirillov, Evgueni","Discrete Ionic Complexes of Highly Isoselective Zirconocenes. Solution Dynamics, Trimethylaluminum Adducts, and Implications in Propylene Polymerization","Organometallics","2016","35","2","258","","10.1021/acs.organomet.5b00965","","x-ray","0.71073","MoKα","","0.2418","0.1367","","","0.3243","0.3715","","","","","","1.083","","","","has coordinates,has disorder","237419","2020-10-21","18:00:00",""
"4088258","12.6187","0.0004","13.7993","0.0004","18.1318","0.0005","106.361","0.001","105.335","0.001","99.915","0.001","2815.84","0.15","150","2","150","2","","","","","","","synthesis as described","6","P -1","-P 1","2","","","","- C68 H52 B F15 Si Zr -","- C68 H52 B F15 Si Zr -","- C136 H104 B2 F30 Si2 Zr2 -","2","1","","Theurkauff, Gabriel; Bader, Manuela; Marquet, Nicolas; Bondon, Arnaud; Roisnel, Thierry; Guegan, Jean-Paul; Amar, Anissa; Boucekkine, Abdou; Carpentier, Jean-François; Kirillov, Evgueni","Discrete Ionic Complexes of Highly Isoselective Zirconocenes. Solution Dynamics, Trimethylaluminum Adducts, and Implications in Propylene Polymerization","Organometallics","2016","35","2","258","","10.1021/acs.organomet.5b00965","","x-ray","0.71073","MoKα","","0.0605","0.0481","","","0.1214","0.1291","","","","","","1.026","","","","has coordinates","237419","2020-10-21","18:00:00",""
"4088259","12.5266","0.0008","21.2097","0.0014","21.4671","0.0015","70.988","0.003","80.287","0.003","78.634","0.003","5252.9","0.6","150","2","150","2","","","","","","","synthesis as described","6","P -1","-P 1","2","","","","- C122 H88 Al2 F30 Si2 Zr2 -","- C122 H88 Al2 F30 Si2 Zr2 -","- C244 H176 Al4 F60 Si4 Zr4 -","2","1","","Theurkauff, Gabriel; Bader, Manuela; Marquet, Nicolas; Bondon, Arnaud; Roisnel, Thierry; Guegan, Jean-Paul; Amar, Anissa; Boucekkine, Abdou; Carpentier, Jean-François; Kirillov, Evgueni","Discrete Ionic Complexes of Highly Isoselective Zirconocenes. Solution Dynamics, Trimethylaluminum Adducts, and Implications in Propylene Polymerization","Organometallics","2016","35","2","258","","10.1021/acs.organomet.5b00965","","x-ray","0.71073","MoKα","","0.0967","0.0526","","","0.1046","0.1215","","","","","","1.021","","","","has coordinates,has disorder","237419","2020-10-21","18:00:00",""
"4088260","4.1473","0.0001","20.9249","0.0007","19.065","0.0006","90","","94.7599","0.0012","90","","1648.79","0.09","273","2","273","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C20 H19 B N4 -","- C20 H19 B N4 -","- C80 H76 B4 N16 -","4","1","","Chang, Mu-Chieh; Otten, Edwin","Intramolecular Hydride Transfer Reactions in (Formazanate)Boron Dihydride Complexes","Organometallics","2016","35","4","534","","10.1021/acs.organomet.5b00968","","","0.71073","MoKα","","0.0351","0.0325","","","0.0832","0.0846","","","","","","1.07","","","","has coordinates","237421","2020-10-21","18:00:00",""
"4088261","12.2629","0.0005","19.8344","0.0009","14.5639","0.0008","90","","113.085","0.0013","90","","3258.7","0.3","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C16 H17 B N3 O -","- C16 H17 B N3 O -","- C128 H136 B8 N24 O8 -","8","1","","Chang, Mu-Chieh; Otten, Edwin","Intramolecular Hydride Transfer Reactions in (Formazanate)Boron Dihydride Complexes","Organometallics","2016","35","4","534","","10.1021/acs.organomet.5b00968","","","0.71073","MoKα","","0.0541","0.049","","","0.1485","0.1548","","","","","","1.076","","","","has coordinates","237421","2020-10-21","18:00:00",""
"4088262","9.3854","0.0003","11.0383","0.0002","22.054","0.0006","90","","90","","90","","2284.77","0.1","123","2","123","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C15 H22 F3 O6 P Si2 W -","- C15 H22 F3 O6 P Si2 W -","- C60 H88 F12 O24 P4 Si8 W4 -","4","1","","Kyri, Andreas W.; Schnakenburg, Gregor; Streubel, Rainer","C-Trifluoromethyl-Substituted 1,2-Oxaphosphetane Complexes: Synthetic and Structural Study","Organometallics","2016","35","4","563","","10.1021/acs.organomet.5b00974","","","0.71073","MoKα","","0.034","0.028","","","0.0484","0.05","","","","","","1.017","","","","has coordinates","237423","2020-10-21","18:00:00",""
"4088263","9.6002","0.001","10.5444","0.0011","13.8429","0.0014","71.032","0.003","76.087","0.003","75.469","0.004","1263.3","0.2","100","","100","","","","","","","","","6","P -1","-P 1","2","","AKY-487","","- C27 H18 F3 O6 P W -","- C27 H18 F3 O6 P W -","- C54 H36 F6 O12 P2 W2 -","2","1","","Kyri, Andreas W.; Schnakenburg, Gregor; Streubel, Rainer","C-Trifluoromethyl-Substituted 1,2-Oxaphosphetane Complexes: Synthetic and Structural Study","Organometallics","2016","35","4","563","","10.1021/acs.organomet.5b00974","","","0.71073","MoKα","","0.0298","0.0237","","","0.0481","0.0511","","","","","","1.056","","","","has coordinates,has disorder","237423","2020-10-21","18:00:00",""
"4088264","9.86","0.02","14.3","0.03","16.92","0.03","90","","94","0.11","90","","2380","8","100","","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","AKY-490","","- C18 H18 F3 O6 P W -","- C18 H18 F3 O6 P W -","- C72 H72 F12 O24 P4 W4 -","4","1","","Kyri, Andreas W.; Schnakenburg, Gregor; Streubel, Rainer","C-Trifluoromethyl-Substituted 1,2-Oxaphosphetane Complexes: Synthetic and Structural Study","Organometallics","2016","35","4","563","","10.1021/acs.organomet.5b00974","","","0.71073","MoKα","","0.2554","0.1136","","","0.2527","0.3744","","","","","","0.852","","","","has coordinates","237423","2020-10-21","18:00:00",""
"4088265","8.9748","0.0009","10.3623","0.0009","15.417","0.0013","70.869","0.005","79.168","0.006","66.889","0.005","1243","0.2","100","","100","","","","","","","","","7","P -1","-P 1","2","","","","- C16 H21 F6 O6 P Si2 W -","- C16 H21 F6 O6 P Si2 W -","- C32 H42 F12 O12 P2 Si4 W2 -","2","1","","Kyri, Andreas W.; Schnakenburg, Gregor; Streubel, Rainer","C-Trifluoromethyl-Substituted 1,2-Oxaphosphetane Complexes: Synthetic and Structural Study","Organometallics","2016","35","4","563","","10.1021/acs.organomet.5b00974","","","0.71073","MoKα","","0.0747","0.0464","","","0.1034","0.117","","","","","","1.024","","","","has coordinates,has disorder","237423","2020-10-21","18:00:00",""
"4088266","12.323","0.0007","14.0254","0.0007","16.2599","0.0007","90","","125.699","0.003","90","","2282.2","0.2","100","","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C19 H17 F6 O6 P W -","- C19 H17 F6 O6 P W -","- C76 H68 F24 O24 P4 W4 -","4","1","","Kyri, Andreas W.; Schnakenburg, Gregor; Streubel, Rainer","C-Trifluoromethyl-Substituted 1,2-Oxaphosphetane Complexes: Synthetic and Structural Study","Organometallics","2016","35","4","563","","10.1021/acs.organomet.5b00974","","","0.71073","MoKα","","0.0191","0.0171","","","0.0413","0.0422","","","","","","1.091","","","","has coordinates","237423","2020-10-21","18:00:00",""
"4088269","12.072","0.002","17.469","0.004","8.7466","0.0017","90","","109.19","0.03","90","","1742","0.7","123","2","123","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H26 N Na O -","- C18 H26 N Na O -","- C72 H104 N4 Na4 O4 -","4","1","","Border, Emily C.; Koutsaplis, Magdaline; Andrews, Philip C.","The Strange Case of Sodium (S)-N-α-(Methylbenzyl)allylamide: Anion Rearrangement, Decomposition, and a Peculiar Propyl Addition","Organometallics","2016","35","3","303","","10.1021/acs.organomet.5b00979","","","0.71073","MoKα","","0.1488","0.0586","","","0.1464","0.1817","","","","","","0.959","","","","has coordinates","237429","2020-10-21","18:00:00",""
"4088270","11.0544","0.0001","16.6389","0.0001","25.8602","0.0001","90","","90.44","0.001","90","","4756.41","0.05","92","2","92","2","","","","","","","","9","P 1 21/c 1","-P 2ybc","14","","","","- C47 H37 Cl3 F3 Ir N O8 P2 S -","- C47 H37 Cl2.946 F3 Ir N O8 P2 S -","- C188 H148 Cl11.784 F12 Ir4 N4 O32 P8 S4 -","4","1","","Frogley, Benjamin J.; Dalebrook, Andrew F.; Wright, L. James","Regioselective Nitration and/or Halogenation of Iridabenzofurans through Electrophilic Substitution","Organometallics","2016","35","3","400","","10.1021/acs.organomet.5b00981","","","0.71073","MoKα","","0.0379","0.033","","","0.0678","0.0702","","","","","","1.105","","","","has coordinates,has disorder","237431","2020-10-21","18:00:00",""
"4088271","18.2683","0.0009","9.345","0.0005","25.3659","0.0011","90","","109.515","0.001","90","","4081.6","0.3","99","2","99","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C45 H39 Cl3 Ir N O4 P2 -","- C45 H39 Cl3 Ir N O4 P2 -","- C180 H156 Cl12 Ir4 N4 O16 P8 -","4","1","","Frogley, Benjamin J.; Dalebrook, Andrew F.; Wright, L. James","Regioselective Nitration and/or Halogenation of Iridabenzofurans through Electrophilic Substitution","Organometallics","2016","35","3","400","","10.1021/acs.organomet.5b00981","","","0.71073","MoKα","","0.0384","0.0296","","","0.0642","0.0676","","","","","","1.07","","","","has coordinates","237431","2020-10-21","18:00:00",""
"4088272","15.111","0.005","15.125","0.005","19.902","0.005","90","0.005","92.866","0.005","90","0.005","4543","2","99","2","99","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","Compound 5","","","- C46 H40 Cl5 Ir N2 O6 P2 -","- C46 H40 Cl5 Ir N2 O6 P2 -","- C184 H160 Cl20 Ir4 N8 O24 P8 -","4","1","","Frogley, Benjamin J.; Dalebrook, Andrew F.; Wright, L. James","Regioselective Nitration and/or Halogenation of Iridabenzofurans through Electrophilic Substitution","Organometallics","2016","35","3","400","","10.1021/acs.organomet.5b00981","","","0.71073","MoKα","","0.0361","0.0313","","","0.075","0.0769","","","","","","1.16","","","","has coordinates","237431","2020-10-21","18:00:00",""
"4088273","14.748","0.005","18.571","0.005","14.814","0.005","90","0.005","108.57","0.005","90","0.005","3846","2","99","2","99","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","Compound 6","","","- C44 H36 Cl2 Ir N O4 P2 -","- C44 H36 Cl2 Ir N O4 P2 -","- C176 H144 Cl8 Ir4 N4 O16 P8 -","4","1","","Frogley, Benjamin J.; Dalebrook, Andrew F.; Wright, L. James","Regioselective Nitration and/or Halogenation of Iridabenzofurans through Electrophilic Substitution","Organometallics","2016","35","3","400","","10.1021/acs.organomet.5b00981","","","0.71073","MoKα","","0.0306","0.0253","","","0.0601","0.0621","","","","","","1.091","","","","has coordinates","237431","2020-10-21","18:00:00",""
"4088274","11.816","0.005","18.301","0.005","21.148","0.005","90","0.005","99.083","0.005","90","0.005","4516","3","99","2","99","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C45 H35 Cl5 Ir N2 O6 P2 -","- C45.043 H35 Cl5.129 Ir N2 O6 P2 -","- C180.172 H140 Cl20.516 Ir4 N8 O24 P8 -","4","1","","Frogley, Benjamin J.; Dalebrook, Andrew F.; Wright, L. James","Regioselective Nitration and/or Halogenation of Iridabenzofurans through Electrophilic Substitution","Organometallics","2016","35","3","400","","10.1021/acs.organomet.5b00981","","","0.71073","MoKα","","0.0468","0.0357","","","0.0784","0.083","","","","","","1.057","","","","has coordinates,has disorder","237431","2020-10-21","18:00:00",""
"4088275","18.355","0.005","9.868","0.005","25.105","0.005","90","0.005","108.232","0.005","90","0.005","4319","3","99","2","99","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","Compound 11","","","- C45 H37 Br Cl4 Ir N O4 P2 -","- C45 H37 Br Cl4 Ir N O4 P2 -","- C180 H148 Br4 Cl16 Ir4 N4 O16 P8 -","4","1","","Frogley, Benjamin J.; Dalebrook, Andrew F.; Wright, L. James","Regioselective Nitration and/or Halogenation of Iridabenzofurans through Electrophilic Substitution","Organometallics","2016","35","3","400","","10.1021/acs.organomet.5b00981","","","0.71073","MoKα","","0.0624","0.0413","","","0.0864","0.0941","","","","","","1.026","","","","has coordinates","237431","2020-10-21","18:00:00",""
"4088276","35.229","0.0011","11.4852","0.0003","16.5381","0.0005","90","","111.691","0.001","90","","6217.7","0.3","123","","123","","","","","","","","see text","5","C 1 2/c 1","-C 2yc","15","","","","- C31 H40 F6 N2 Zn -","- C31 H40 F6 N2 Zn -","- C248 H320 F48 N16 Zn8 -","8","1","","Kronast, Alexander; Reiter, Marina; Altenbuchner, Peter T.; Jandl, Christian; Pöthig, Alexander; Rieger, Bernhard","Electron-Deficient β-Diiminato-Zinc-Ethyl Complexes: Synthesis, Structure, and Reactivity in Ring-Opening Polymerization of Lactones","Organometallics","2016","35","5","681","","10.1021/acs.organomet.5b00983","","x-ray","0.71073","MoKα","","0.0429","0.0387","","","0.0937","0.0969","","","","","","1.035","","","","has coordinates,has disorder","237433","2020-10-21","18:00:00",""
"4088277","12.4913","0.0007","10.724","0.0006","20.1647","0.0011","90","","96.137","0.003","90","","2685.7","0.3","150","","150","","","","","","","","see text","5","P 1 21/n 1","-P 2yn","14","","","","- C27 H32 F6 N2 Zn -","- C27 H32 F6 N2 Zn -","- C108 H128 F24 N8 Zn4 -","4","1","","Kronast, Alexander; Reiter, Marina; Altenbuchner, Peter T.; Jandl, Christian; Pöthig, Alexander; Rieger, Bernhard","Electron-Deficient β-Diiminato-Zinc-Ethyl Complexes: Synthesis, Structure, and Reactivity in Ring-Opening Polymerization of Lactones","Organometallics","2016","35","5","681","","10.1021/acs.organomet.5b00983","","x-ray","0.71073","MoKα","","0.0329","0.0283","","","0.0738","0.0774","","","","","","1.056","","","","has coordinates","237433","2020-10-21","18:00:00",""
"4088278","12.3089","0.0003","9.6492","0.0003","19.8991","0.0005","90","","96.953","0.001","90","","2346.06","0.11","200","","200","","","","","","","","see text","5","P 1 21/n 1","-P 2yn","14","","","","- C23 H24 F6 N2 Zn -","- C23 H24 F6 N2 Zn -","- C92 H96 F24 N8 Zn4 -","4","1","","Kronast, Alexander; Reiter, Marina; Altenbuchner, Peter T.; Jandl, Christian; Pöthig, Alexander; Rieger, Bernhard","Electron-Deficient β-Diiminato-Zinc-Ethyl Complexes: Synthesis, Structure, and Reactivity in Ring-Opening Polymerization of Lactones","Organometallics","2016","35","5","681","","10.1021/acs.organomet.5b00983","","x-ray","0.71073","MoKα","","0.0546","0.0461","","","0.1156","0.1249","","","","","","1.026","","","","has coordinates,has disorder","237433","2020-10-21","18:00:00",""
"4088279","10.2601","0.0002","10.6107","0.0002","18.071","0.0003","100.204","0.0008","98.7088","0.0009","96.6684","0.0009","1893.12","0.06","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C37 H68 Cl2 P2 Ru -","- C37 H68 Cl2 P2 Ru -","- C74 H136 Cl4 P4 Ru2 -","2","1","","Lummiss, Justin A. M.; Perras, Frédéric A.; McDonald, Robert; Bryce, David L.; Fogg, Deryn E.","Sterically Driven Olefin Metathesis: The Impact of Alkylidene Substitution on Catalyst Activity","Organometallics","2016","35","5","691","","10.1021/acs.organomet.5b00984","","","1.54178","CuKα","","0.0273","0.0246","","","0.0624","0.0646","","","","","","1.03","","","","has coordinates","237435","2020-10-21","18:00:00",""
"4088280","12.5767","0.0003","23.3624","0.0006","17.9385","0.0005","90","","104.617","0.001","90","","5100.1","0.2","173","2","173","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C48 H72 Cl2 Ni2 O P4 Si2 -","- C48 H72 Cl2 Ni2 O P4 Si2 -","- C192 H288 Cl8 Ni8 O4 P16 Si8 -","4","1","","Connor, Bridget A.; Rittle, Jonathan; VanderVelde, David; Peters, Jonas C.","A Ni0(η2-(Si‒H))(η2-H2) Complex That Mediates Facile H Atom Exchange between Two σ-Ligands","Organometallics","2016","35","5","686","","10.1021/acs.organomet.5b00985","","","0.71073","MoKα","","0.0403","0.0299","","","0.0674","0.074","","","","","","1.124","","","","has coordinates","237436","2020-10-21","18:00:00",""
"4088281","23.4925","0.0011","11.0111","0.0005","19.1787","0.0009","90","","109.523","0.003","90","","4675.9","0.4","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C48 H72 Ni2 O P4 Si2 -","- C48 H72 Ni2 O P4 Si2 -","- C192 H288 Ni8 O4 P16 Si8 -","4","1","","Connor, Bridget A.; Rittle, Jonathan; VanderVelde, David; Peters, Jonas C.","A Ni0(η2-(Si‒H))(η2-H2) Complex That Mediates Facile H Atom Exchange between Two σ-Ligands","Organometallics","2016","35","5","686","","10.1021/acs.organomet.5b00985","","","0.71073","MoKα","","0.0311","0.025","","","0.0608","0.0639","","","","","","1.053","","","","has coordinates,has disorder","237436","2020-10-21","18:00:00",""
"4088282","11.4986","0.0004","13.5826","0.0005","13.5911","0.0005","102.551","0.002","109.767","0.002","109.802","0.002","1742.45","0.12","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","","","- C66 H66 N12 O24 Pd3 -","- C66 H66 N12 O24 Pd3 -","- C66 H66 N12 O24 Pd3 -","1","0.5","","Wu, Hung-Chou; Chu, Jean-Ho; Li, Chin-Wei; Hwang, Long-Chih; Wu, Ming-Jung","Palladium-Catalyzed Regioselective Arylation of Pyrazolo[1,5-a]pyridines via C‒H Activation and Synthetic Applications on P38 Kinase Inhibitors","Organometallics","2016","35","2","288","","10.1021/acs.organomet.5b00988","","","0.71073","MoKα","","0.0439","0.0353","","","0.0971","0.1155","","","","","","1.165","","","","has coordinates,has disorder","237438","2020-10-21","18:00:00",""
"4088283","12.6083","0.0009","11.4037","0.0008","7.3882","0.0006","90","","96.485","0.004","90","","1055.49","0.14","200","2","200","2","","","","","","","","4","P 1 c 1","P -2yc","7","","","","- C13 H9 Cl N2 -","- C13 H9 Cl N2 -","- C52 H36 Cl4 N8 -","4","2","","Wu, Hung-Chou; Chu, Jean-Ho; Li, Chin-Wei; Hwang, Long-Chih; Wu, Ming-Jung","Palladium-Catalyzed Regioselective Arylation of Pyrazolo[1,5-a]pyridines via C‒H Activation and Synthetic Applications on P38 Kinase Inhibitors","Organometallics","2016","35","2","288","","10.1021/acs.organomet.5b00988","","","0.71073","MoKα","","0.0318","0.03","","","0.0798","0.088","","","","","","1.068","","","","has coordinates","237439","2020-10-21","18:00:00",""
"4088284","3.8617","0.0002","14.2043","0.0009","11.0554","0.0007","90","","95.734","0.003","90","","603.38","0.06","200","2","200","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C15 H12 N2 O2 -","- C15 H12 N2 O2 -","- C30 H24 N4 O4 -","2","1","","Wu, Hung-Chou; Chu, Jean-Ho; Li, Chin-Wei; Hwang, Long-Chih; Wu, Ming-Jung","Palladium-Catalyzed Regioselective Arylation of Pyrazolo[1,5-a]pyridines via C‒H Activation and Synthetic Applications on P38 Kinase Inhibitors","Organometallics","2016","35","2","288","","10.1021/acs.organomet.5b00988","","","0.71073","MoKα","","0.0627","0.0409","","","0.083","0.0923","","","","","","1.013","","","","has coordinates","237440","2020-10-21","18:00:00",""
"4088285","12.3276","0.0009","13.6052","0.0011","20.4293","0.0016","93.485","0.004","99.956","0.004","96.649","0.004","3340.6","0.5","123","","123","","","","","","","","","7","P 1","P 1","1","","","","- C70 H65 B F24 Ir N3 O -","- C70 H65 B F24 Ir N3 O -","- C140 H130 B2 F48 Ir2 N6 O2 -","2","2","","Gruber, Stefan","Synthesis, NMR, and X-ray Studies of Iridium Dihydride C,N and N,P Ligand Complexes","Organometallics","2016","35","5","699","","10.1021/acs.organomet.5b00989","","","0.71073","MoKα","","0.0561","0.0412","","0.0674","0.0416","0.0401","","","","","","1.0987","","","","has coordinates,has disorder","237441","2020-10-21","18:00:00",""
"4088286","12.6765","0.0011","18.1773","0.0016","12.9092","0.0011","90","","101.31","0.002","90","","2916.8","0.4","123","","123","","","","","","","","","8","P 1 21 1","P 2yb","4","","","","- C58 H52 B F24 Ir N O P -","- C58 H52 B F24 Ir N O P -","- C116 H104 B2 F48 Ir2 N2 O2 P2 -","2","1","","Gruber, Stefan","Synthesis, NMR, and X-ray Studies of Iridium Dihydride C,N and N,P Ligand Complexes","Organometallics","2016","35","5","699","","10.1021/acs.organomet.5b00989","","","1.54178","CuKα","","0.0217","0.0216","","0.025","0.0249","0.0247","","","","","","1.0896","","","","has coordinates","237441","2020-10-21","18:00:00",""
"4088287","19.0819","0.001","21.6012","0.0012","19.6684","0.0011","90","","116.033","0.003","90","","7284.6","0.7","123","","123","","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C74 H65 B F24 Ir N5 O -","- C74 H65 B F24 Ir N5 O -","- C296 H260 B4 F96 Ir4 N20 O4 -","4","2","","Gruber, Stefan","Synthesis, NMR, and X-ray Studies of Iridium Dihydride C,N and N,P Ligand Complexes","Organometallics","2016","35","5","699","","10.1021/acs.organomet.5b00989","","","1.54178","CuKα","","0.0386","0.0345","","0.0444","0.0391","0.0387","","","","","","1.116","","","","has coordinates,has disorder","237441","2020-10-21","18:00:00",""
"4088288","19.19","0.0013","17.4078","0.0013","19.1973","0.0014","90","","97.878","0.004","90","","6352.4","0.8","123","","123","","","","","","","","","8","P 1 21 1","P 2yb","4","","","","- C62 H52 B F24 Ir N3 O P -","- C62 H52 B F24 Ir N3 O P -","- C248 H208 B4 F96 Ir4 N12 O4 P4 -","4","2","","Gruber, Stefan","Synthesis, NMR, and X-ray Studies of Iridium Dihydride C,N and N,P Ligand Complexes","Organometallics","2016","35","5","699","","10.1021/acs.organomet.5b00989","","","0.71073","MoKα","","0.0783","0.0528","","0.0667","0.0488","0.0447","","","","","","1.1246","","","","has coordinates,has disorder","237441","2020-10-21","18:00:00",""
"4088289","8.887","0.003","14.837","0.003","16.891","0.008","90","","100.92","0.03","90","","2186.9","1.4","198","","198","","","","","","","","see text","4","P 1 21/c 1","-P 2ybc","14","","","","- C11 H11 N S2 -","- C11 H11 N S2 -","- C88 H88 N8 S16 -","8","2","","Leopold, Hendrik; Tronnier, Alexander; Wagenblast, Gerhard; Münster, Ingo; Strassner, Thomas","Photoluminescence of a New Material: Cyclometalated C∧C* Thiazole-2-ylidene Platinum(II) Complexes","Organometallics","2016","35","7","959","","10.1021/acs.organomet.5b00991","","x-ray","0.71073","MoKα","","0.1688","0.0634","","","0.1538","0.2111","","","","","","1.079","","","","has coordinates","237443","2020-10-21","18:00:00",""
"4088290","6.298","0.0012","8.218","0.0011","23.779","0.005","90","","90","","90","","1230.7","0.4","198","","198","","","","","","","","see text","5","P 21 21 21","P 2ac 2ab","19","","","","- C11 H10 Br N S2 -","- C11 H10 Br N S2 -","- C44 H40 Br4 N4 S8 -","4","1","","Leopold, Hendrik; Tronnier, Alexander; Wagenblast, Gerhard; Münster, Ingo; Strassner, Thomas","Photoluminescence of a New Material: Cyclometalated C∧C* Thiazole-2-ylidene Platinum(II) Complexes","Organometallics","2016","35","7","959","","10.1021/acs.organomet.5b00991","","x-ray","0.71073","MoKα","","0.1383","0.0464","","","0.0876","0.1179","","","","","","1.369","","","","has coordinates","237443","2020-10-21","18:00:00",""
"4088291","11.871","0.002","9.496","0.0004","14.914","0.004","90","","117.62","0.02","90","","1489.6","0.5","198","","198","","","","","","","","see text","7","P 1 21/c 1","-P 2ybc","14","","","","- C11 H11 Br F6 N P S -","- C11 H11 Br F6 N P S -","- C44 H44 Br4 F24 N4 P4 S4 -","4","1","","Leopold, Hendrik; Tronnier, Alexander; Wagenblast, Gerhard; Münster, Ingo; Strassner, Thomas","Photoluminescence of a New Material: Cyclometalated C∧C* Thiazole-2-ylidene Platinum(II) Complexes","Organometallics","2016","35","7","959","","10.1021/acs.organomet.5b00991","","x-ray","0.71073","MoKα","","0.1311","0.0521","","","0.0893","0.1165","","","","","","1.048","","","","has coordinates","237443","2020-10-21","18:00:00",""
"4088292","18.113","0.004","7.729","0.0015","22.149","0.004","90","","100.57","0.03","90","","3048.1","1.1","198","","198","","","","","","","","see text","6","C 1 2/c 1","-C 2yc","15","","","","- C16 H17 N O2 Pt S -","- C16 H17 N O2 Pt S -","- C128 H136 N8 O16 Pt8 S8 -","8","1","","Leopold, Hendrik; Tronnier, Alexander; Wagenblast, Gerhard; Münster, Ingo; Strassner, Thomas","Photoluminescence of a New Material: Cyclometalated C∧C* Thiazole-2-ylidene Platinum(II) Complexes","Organometallics","2016","35","7","959","","10.1021/acs.organomet.5b00991","","x-ray","0.71073","MoKα","","0.0349","0.0217","","","0.0601","0.0635","","","","","","1.303","","","","has coordinates","237443","2020-10-21","18:00:00",""
"4088293","11.518","0.003","7.56","0.0011","21.82","0.003","90","","121.46","0.03","90","","1620.7","0.7","198","","198","","","","","","","","see text","7","P 1 21/c 1","-P 2ybc","14","","","","- C16 H16 Br N O2 Pt S -","- C16 H16 Br N O2 Pt S -","- C64 H64 Br4 N4 O8 Pt4 S4 -","4","1","","Leopold, Hendrik; Tronnier, Alexander; Wagenblast, Gerhard; Münster, Ingo; Strassner, Thomas","Photoluminescence of a New Material: Cyclometalated C∧C* Thiazole-2-ylidene Platinum(II) Complexes","Organometallics","2016","35","7","959","","10.1021/acs.organomet.5b00991","","x-ray","0.71073","MoKα","","0.0848","0.0411","","","0.1018","0.1219","","","","","","1.211","","","","has coordinates","237443","2020-10-21","18:00:00",""
"4088294","9.574","0.0019","7.295","0.0002","24.706","0.0019","90","","105.09","0.01","90","","1666","0.4","198","","198","","","","","","","","see text","6","P 1 21/c 1","-P 2ybc","14","","","","- C17 H19 N O3 Pt S -","- C17 H19 N O3 Pt S -","- C68 H76 N4 O12 Pt4 S4 -","4","1","","Leopold, Hendrik; Tronnier, Alexander; Wagenblast, Gerhard; Münster, Ingo; Strassner, Thomas","Photoluminescence of a New Material: Cyclometalated C∧C* Thiazole-2-ylidene Platinum(II) Complexes","Organometallics","2016","35","7","959","","10.1021/acs.organomet.5b00991","","x-ray","0.71073","MoKα","","0.0848","0.0405","","","0.0997","0.1259","","","","","","1.279","","","","has coordinates","237443","2020-10-21","18:00:00",""
"4088295","23.711","0.003","23.47","0.003","21.496","0.002","90","","109.243","0.005","90","","11294","2","90","2","90","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C64 H74 Cr Ga2 O4 -","- C64 H74 Cr Ga2 O4 -","- C512 H592 Cr8 Ga16 O32 -","8","1","","McCrea-Hendrick, Madison L.; Caputo, Christine A.; Roberts, Christopher J.; Fettinger, James C.; Tuononen, Heikki M.; Power, Philip P.","Reactions of Terphenyl-Substituted Digallene AriPr4GaGaAriPr4 (AriPr4 = C6H3-2,6-(C6H3-2,6-iPr2)2) with Transition Metal Carbonyls and Theoretical Investigation of the Mechanism of Addition","Organometallics","2016","35","4","579","","10.1021/acs.organomet.5b00992","","","0.71073","MoKα","","0.0269","0.0228","","","0.0617","0.0636","","","","","","1.052","","","","has coordinates","237446","2020-10-21","18:00:00",""
"4088296","10.0677","0.0007","10.2348","0.0008","17.7124","0.0013","82.247","0.001","78.6991","0.001","82.3595","0.001","1762.7","0.2","90","2","90","2","","","","","","","","5","P -1","-P 1","2","","","","- C37 H37 Co2 Ga O7 -","- C37 H37 Co2 Ga O7 -","- C74 H74 Co4 Ga2 O14 -","2","1","","McCrea-Hendrick, Madison L.; Caputo, Christine A.; Roberts, Christopher J.; Fettinger, James C.; Tuononen, Heikki M.; Power, Philip P.","Reactions of Terphenyl-Substituted Digallene AriPr4GaGaAriPr4 (AriPr4 = C6H3-2,6-(C6H3-2,6-iPr2)2) with Transition Metal Carbonyls and Theoretical Investigation of the Mechanism of Addition","Organometallics","2016","35","4","579","","10.1021/acs.organomet.5b00992","","","0.71073","MoKα","","0.0315","0.0277","","","0.0685","0.0705","","","","","","1.044","","","","has coordinates","237446","2020-10-21","18:00:00",""
"4088297","23.888","0.004","23.746","0.004","21.433","0.004","90","","108.83","0.002","90","","11507","3","90","2","90","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C64 H74 Ga2 Mo O4 -","- C64 H74 Ga2 Mo O4 -","- C512 H592 Ga16 Mo8 O32 -","8","1","","McCrea-Hendrick, Madison L.; Caputo, Christine A.; Roberts, Christopher J.; Fettinger, James C.; Tuononen, Heikki M.; Power, Philip P.","Reactions of Terphenyl-Substituted Digallene AriPr4GaGaAriPr4 (AriPr4 = C6H3-2,6-(C6H3-2,6-iPr2)2) with Transition Metal Carbonyls and Theoretical Investigation of the Mechanism of Addition","Organometallics","2016","35","4","579","","10.1021/acs.organomet.5b00992","","","0.71073","MoKα","","0.0225","0.0199","","","0.0529","0.0543","","","","","","1.031","","","","has coordinates","237446","2020-10-21","18:00:00",""
"4088298","22.151","0.006","16.423","0.004","19.316","0.005","90","","106.648","0.004","90","","6732","3","","","90.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C35 H37 Ga Mo O5 -","- C35 H37 Ga Mo O5 -","- C280 H296 Ga8 Mo8 O40 -","8","2","","McCrea-Hendrick, Madison L.; Caputo, Christine A.; Roberts, Christopher J.; Fettinger, James C.; Tuononen, Heikki M.; Power, Philip P.","Reactions of Terphenyl-Substituted Digallene AriPr4GaGaAriPr4 (AriPr4 = C6H3-2,6-(C6H3-2,6-iPr2)2) with Transition Metal Carbonyls and Theoretical Investigation of the Mechanism of Addition","Organometallics","2016","35","4","579","","10.1021/acs.organomet.5b00992","","","0.71073","MoKα","","0.0358","0.0257","","","0.0579","0.0627","","","","","","1.0272","","","","has coordinates,has disorder","237446","2020-10-21","18:00:00",""
"4088299","23.8431","0.0011","23.6904","0.0011","21.341","0.001","90","","108.767","0.002","90","","11413.6","0.9","90","2","90","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C64 H74 Ga2 O4 W -","- C64 H74 Ga2 O4 W -","- C512 H592 Ga16 O32 W8 -","8","1","","McCrea-Hendrick, Madison L.; Caputo, Christine A.; Roberts, Christopher J.; Fettinger, James C.; Tuononen, Heikki M.; Power, Philip P.","Reactions of Terphenyl-Substituted Digallene AriPr4GaGaAriPr4 (AriPr4 = C6H3-2,6-(C6H3-2,6-iPr2)2) with Transition Metal Carbonyls and Theoretical Investigation of the Mechanism of Addition","Organometallics","2016","35","4","579","","10.1021/acs.organomet.5b00992","","","1.54178","CuKα","","0.0409","0.0344","","","0.0881","0.0919","","","","","","1.062","","","","has coordinates","237446","2020-10-21","18:00:00",""
"4088300","17.211","0.002","12.9088","0.0015","20.443","0.002","90","","90","","90","","4541.9","0.9","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C18 H21 Cl6 N4 Rh -","- C18 H21 Cl6 N4 Rh -","- C144 H168 Cl48 N32 Rh8 -","8","1","","Aznarez, Francisco; Sanz Miguel, Pablo J.; Tan, Tristan T. Y.; Hahn, F. Ekkehardt","Preparation of Rhodium(III) Di-NHC Chelate Complexes Featuring Two Different NHC Donors via a Mild NaOAc-Assisted C‒H Activation","Organometallics","2016","35","3","410","","10.1021/acs.organomet.5b00993","","","0.71073","MoKα","","0.0482","0.0323","","","0.0849","0.0928","","","","","","1.009","","","","has coordinates","237449","2020-10-21","18:00:00",""
"4088301","11.4534","0.0002","11.7735","0.0002","18.7545","0.0003","95.024","0.001","98.125","0.001","107.715","0.001","2361.91","0.07","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C75 H74 Cl26 N16 Rh4 -","- C75 H74 Cl26 N16 Rh4 -","- C75 H74 Cl26 N16 Rh4 -","1","0.5","","Aznarez, Francisco; Sanz Miguel, Pablo J.; Tan, Tristan T. Y.; Hahn, F. Ekkehardt","Preparation of Rhodium(III) Di-NHC Chelate Complexes Featuring Two Different NHC Donors via a Mild NaOAc-Assisted C‒H Activation","Organometallics","2016","35","3","410","","10.1021/acs.organomet.5b00993","","","0.71073","MoKα","","0.049","0.0358","","","0.0778","0.0834","","","","","","1.034","","","","has coordinates,has disorder","237449","2020-10-21","18:00:00",""
"4088302","11.0614","0.0002","16.4011","0.0003","13.7065","0.0003","90","","113.446","0.001","90","","2281.31","0.08","153","2","153","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C17 H20 Cl7 N4 Rh -","- C17 H20 Cl7 N4 Rh -","- C68 H80 Cl28 N16 Rh4 -","4","1","","Aznarez, Francisco; Sanz Miguel, Pablo J.; Tan, Tristan T. Y.; Hahn, F. Ekkehardt","Preparation of Rhodium(III) Di-NHC Chelate Complexes Featuring Two Different NHC Donors via a Mild NaOAc-Assisted C‒H Activation","Organometallics","2016","35","3","410","","10.1021/acs.organomet.5b00993","","","0.71073","MoKα","","0.0279","0.0245","","","0.0587","0.0605","","","","","","1.013","","","","has coordinates","237449","2020-10-21","18:00:00",""
"4088303","15.766","0.006","14.858","0.006","12.496","0.005","90","","112.723","0.006","90","","2700","1.9","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C24 H23 Br Cl4 F N4 Rh -","- C24 H23 Br Cl4 F N4 Rh -","- C96 H92 Br4 Cl16 F4 N16 Rh4 -","4","1","","Aznarez, Francisco; Sanz Miguel, Pablo J.; Tan, Tristan T. Y.; Hahn, F. Ekkehardt","Preparation of Rhodium(III) Di-NHC Chelate Complexes Featuring Two Different NHC Donors via a Mild NaOAc-Assisted C‒H Activation","Organometallics","2016","35","3","410","","10.1021/acs.organomet.5b00993","","","0.71073","MoKα","","0.0697","0.0437","","","0.1035","0.1168","","","","","","1.032","","","","has coordinates","237449","2020-10-21","18:00:00",""
"4088304","11.379","0.003","11.578","0.003","14.258","0.004","103.404","0.004","109.985","0.004","91.438","0.004","1706","0.8","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C27 H30 B Br Cl6 F5 N4 Rh -","- C27 H30 B Br Cl6 F5 N4 Rh -","- C54 H60 B2 Br2 Cl12 F10 N8 Rh2 -","2","1","","Aznarez, Francisco; Sanz Miguel, Pablo J.; Tan, Tristan T. Y.; Hahn, F. Ekkehardt","Preparation of Rhodium(III) Di-NHC Chelate Complexes Featuring Two Different NHC Donors via a Mild NaOAc-Assisted C‒H Activation","Organometallics","2016","35","3","410","","10.1021/acs.organomet.5b00993","","","0.71073","MoKα","","0.052","0.0403","","","0.1047","0.1116","","","","","","1.064","","","","has coordinates","237449","2020-10-21","18:00:00",""
"4088305","16.852","0.012","13.499","0.01","12.826","0.009","90","","90.981","0.011","90","","2917","4","120","2","120","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","DAC-BH3SMe2 (1SMe2)","","","- C27 H39 B Cl2 N2 O2 S -","- C27 H39 B Cl2 N2 O2 S -","- C108 H156 B4 Cl8 N8 O8 S4 -","4","1","","Lastovickova, Dominika N.; Bielawski, Christopher W.","Diamidocarbene Induced B‒H Activation: A New Class of Initiator-Free Olefin Hydroboration Reagents","Organometallics","2016","35","5","706","","10.1021/acs.organomet.5b00997","","","0.71075","MoKα","","0.1224","0.0927","","","0.1708","0.1868","","","","","","1.006","","","","has coordinates","237453","2020-10-21","18:00:00",""
"4088306","22.574","0.003","8.3284","0.0012","13.943","0.002","90","","90","","90","","2621.4","0.6","150","2","150","2","","","","","","","","5","P c a 21","P 2c -2ac","29","DAC-BH3py (1py)","","","- C29 H38 B N3 O3 -","- C29 H38 B N3 O3 -","- C116 H152 B4 N12 O12 -","4","1","","Lastovickova, Dominika N.; Bielawski, Christopher W.","Diamidocarbene Induced B‒H Activation: A New Class of Initiator-Free Olefin Hydroboration Reagents","Organometallics","2016","35","5","706","","10.1021/acs.organomet.5b00997","","","0.71075","MoKα","","0.0436","0.0403","","","0.1008","0.1031","","","","","","1.006","","","","has coordinates","237453","2020-10-21","18:00:00",""
"4088307","8.8352","0.0012","12.6874","0.0017","12.1513","0.0017","90","","109.329","0.003","90","","1285.3","0.3","150","2","150","2","","","","","","","","5","P 1 21 1","P 2yb","4","DAC-BH3NMe3 (1NMe3)","","","- C27 H43 B N3 O2 -","- C27 H40 B N3 O2 -","- C54 H80 B2 N6 O4 -","2","1","","Lastovickova, Dominika N.; Bielawski, Christopher W.","Diamidocarbene Induced B‒H Activation: A New Class of Initiator-Free Olefin Hydroboration Reagents","Organometallics","2016","35","5","706","","10.1021/acs.organomet.5b00997","","","0.71075","MoKα","","0.0335","0.0318","","","0.0807","0.0818","","","","","","1.006","","","","has coordinates","237453","2020-10-21","18:00:00",""
"4088308","11.659","0.003","12.699","0.003","15.497","0.004","85.322","0.005","72.721","0.005","88.791","0.005","2183.6","1","150","2","150","2","","","","","","","","5","P -1","-P 1","2","DAC-BH3ring expanded (2)","","","- C24 H31 B N2 O2 -","- C24 H31 B N2 O2 -","- C96 H124 B4 N8 O8 -","4","2","","Lastovickova, Dominika N.; Bielawski, Christopher W.","Diamidocarbene Induced B‒H Activation: A New Class of Initiator-Free Olefin Hydroboration Reagents","Organometallics","2016","35","5","706","","10.1021/acs.organomet.5b00997","","","0.71075","MoKα","","0.0703","0.0535","","","0.1293","0.1416","","","","","","1.006","","","","has coordinates","237453","2020-10-21","18:00:00",""
"4088309","8.172","0.005","16.783","0.008","12.13","0.007","90","","100.44","0.02","90","","1636.1","1.6","123","2","123","2","","","","","","","","5","P 1 21 1","P 2yb","4","DAC-9BBN (3)","","","- C38 H49 B N2 O2 -","- C38 H49 B N2 O2 -","- C76 H98 B2 N4 O4 -","2","1","","Lastovickova, Dominika N.; Bielawski, Christopher W.","Diamidocarbene Induced B‒H Activation: A New Class of Initiator-Free Olefin Hydroboration Reagents","Organometallics","2016","35","5","706","","10.1021/acs.organomet.5b00997","","","1.54187","CuKα","","0.0639","0.0526","","","0.1457","0.1533","","","","","","1.006","","","","has coordinates","237453","2020-10-21","18:00:00",""
"4088310","8.119","0.002","11.875","0.003","14.958","0.005","82.73","0.02","86.7","0.03","82.128","0.018","1415.9","0.7","123","2","123","2","","","","","","","","5","P -1","-P 1","2","DAC-bpin (4)","","","- C30 H41 B N2 O4 -","- C30 H41 B N2 O4 -","- C60 H82 B2 N4 O8 -","2","1","","Lastovickova, Dominika N.; Bielawski, Christopher W.","Diamidocarbene Induced B‒H Activation: A New Class of Initiator-Free Olefin Hydroboration Reagents","Organometallics","2016","35","5","706","","10.1021/acs.organomet.5b00997","","","1.54187","CuKα","","0.0601","0.046","","","0.1255","0.1328","","","","","","1.006","","","","has coordinates","237453","2020-10-21","18:00:00",""
"4088311","20.295","0.003","18.186","0.002","19.281","0.003","90","","90","","90","","7116.3","1.7","93","2","93","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","DAC-bispin (5)","","","- C36 H52 B2 N2 O6 -","- C36 H52 B2 N2 O6 -","- C288 H416 B16 N16 O48 -","8","1","","Lastovickova, Dominika N.; Bielawski, Christopher W.","Diamidocarbene Induced B‒H Activation: A New Class of Initiator-Free Olefin Hydroboration Reagents","Organometallics","2016","35","5","706","","10.1021/acs.organomet.5b00997","","","1.54187","CuKα","","0.0381","0.0353","","","0.091","0.0928","","","","","","1.006","","","","has coordinates","237453","2020-10-21","18:00:00",""
"4088312","16.8362","0.0003","12.092","0.0003","23.6248","0.0004","90","","91.107","0.002","90","","4808.72","0.17","130","2","130","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","2DAC-BH3","","","- C48 H59 B N4 O4 -","- C48 H59 B N4 O4 -","- C192 H236 B4 N16 O16 -","4","1","","Lastovickova, Dominika N.; Bielawski, Christopher W.","Diamidocarbene Induced B‒H Activation: A New Class of Initiator-Free Olefin Hydroboration Reagents","Organometallics","2016","35","5","706","","10.1021/acs.organomet.5b00997","","","1.54184","CuKα","","0.0565","0.0428","","","0.1073","0.1188","","","","","","1.006","","","","has coordinates","237453","2020-10-21","18:00:00",""
"4088313","9.518","0.004","10.87","0.004","14.271","0.005","102.578","0.01","108.45","0.02","97.337","0.009","1335.8","0.9","150","2","150","2","","","","","","","","6","P -1","-P 1","2","DAC-BCl3","","","- C27 H31 B Cl3 N2 O2 -","- C27 H31 B Cl3 N2 O2 -","- C54 H62 B2 Cl6 N4 O4 -","2","1","","Lastovickova, Dominika N.; Bielawski, Christopher W.","Diamidocarbene Induced B‒H Activation: A New Class of Initiator-Free Olefin Hydroboration Reagents","Organometallics","2016","35","5","706","","10.1021/acs.organomet.5b00997","","","0.71075","MoKα","","0.0748","0.053","","","0.1108","0.122","","","","","","1.006","","","","has coordinates","237453","2020-10-21","18:00:00",""
"4088314","15.589","0.0017","16.4336","0.0017","9.1255","0.001","90","","90.038","0.003","90","","2337.8","0.4","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","DAC-BF3","","","- C24 H28 B F3 N2 O2 -","- C24 H28 B F3 N2 O2 -","- C96 H112 B4 F12 N8 O8 -","4","1","","Lastovickova, Dominika N.; Bielawski, Christopher W.","Diamidocarbene Induced B‒H Activation: A New Class of Initiator-Free Olefin Hydroboration Reagents","Organometallics","2016","35","5","706","","10.1021/acs.organomet.5b00997","","","0.71075","MoKα","","0.0328","0.0314","","","0.0885","0.09","","","","","","1.006","","","","has coordinates","237453","2020-10-21","18:00:00",""
"4088315","11.897","0.002","30.808","0.006","19.968","0.004","90","","94.204","0.003","90","","7299","2","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C73.5 H90 Cl5 O5 P2 Pd -","- C73.5 H80 Cl5 O5 P2 Pd -","- C294 H320 Cl20 O20 P8 Pd4 -","4","1","","Hirasawa, Kengo; Tanaka, Shinya; Horiuchi, Takeru; Kobayashi, Takahiro; Sato, Takumi; Morohashi, Naoya; Hattori, Tetsutaro","Pd(II) Complexes Ligated by 1,3-Bis(diphenylphosphino)calix[4]arene: Preparation, X-ray Structures, and Catalyses","Organometallics","2016","35","3","420","","10.1021/acs.organomet.5b00999","","","0.71073","MoKα","","0.1411","0.0858","","","0.193","0.2232","","","","","","1.069","","","","has coordinates,has disorder","237455","2020-10-21","18:00:00",""
"4088316","15.7273","0.0016","22.611","0.002","19.685","0.002","90","","102.362","0.001","90","","6837.9","1.2","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C72 H82 Cl8 O2 P2 Pd2 -","- C72 H82 Cl8 O2 P2 Pd2 -","- C288 H328 Cl32 O8 P8 Pd8 -","4","1","","Hirasawa, Kengo; Tanaka, Shinya; Horiuchi, Takeru; Kobayashi, Takahiro; Sato, Takumi; Morohashi, Naoya; Hattori, Tetsutaro","Pd(II) Complexes Ligated by 1,3-Bis(diphenylphosphino)calix[4]arene: Preparation, X-ray Structures, and Catalyses","Organometallics","2016","35","3","420","","10.1021/acs.organomet.5b00999","","","0.71073","MoKα","","0.0516","0.0332","","","0.0704","0.0785","","","","","","1.014","","","","has coordinates","237457","2020-10-21","18:00:00",""
"4088317","14.0745","0.0017","15.3088","0.0019","20.273","0.003","111.726","0.001","90.386","0.001","105.819","0.001","3875.7","0.9","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C80 H97 Cl10 N O2 P2 Pd -","- C80 H97 Cl10 N O2 P2 Pd -","- C160 H194 Cl20 N2 O4 P4 Pd2 -","2","1","","Hirasawa, Kengo; Tanaka, Shinya; Horiuchi, Takeru; Kobayashi, Takahiro; Sato, Takumi; Morohashi, Naoya; Hattori, Tetsutaro","Pd(II) Complexes Ligated by 1,3-Bis(diphenylphosphino)calix[4]arene: Preparation, X-ray Structures, and Catalyses","Organometallics","2016","35","3","420","","10.1021/acs.organomet.5b00999","","","0.71073","MoKα","","0.0469","0.0343","","","0.0764","0.0829","","","","","","1.018","","","","has coordinates,has disorder","237459","2020-10-21","18:00:00",""
"4088318","13.0358","0.0015","15.4702","0.0017","20.992","0.002","89.81","0.001","75.346","0.001","66.805","0.001","3742.5","0.7","100","2","100","2","","","","","","","","9","P -1","-P 1","2","","","","- C78 H93 B Cl7 F4 N O2 P2 Pd -","- C78 H87 B Cl7 F4 N O2 P2 Pd -","- C156 H174 B2 Cl14 F8 N2 O4 P4 Pd2 -","2","1","","Hirasawa, Kengo; Tanaka, Shinya; Horiuchi, Takeru; Kobayashi, Takahiro; Sato, Takumi; Morohashi, Naoya; Hattori, Tetsutaro","Pd(II) Complexes Ligated by 1,3-Bis(diphenylphosphino)calix[4]arene: Preparation, X-ray Structures, and Catalyses","Organometallics","2016","35","3","420","","10.1021/acs.organomet.5b00999","","","0.71073","MoKα","","0.0499","0.041","","","0.0999","0.1067","","","","","","1.045","","","","has coordinates,has disorder","237461","2020-10-21","18:00:00",""
"4088319","18.2799","0.0017","19.204","0.0019","24.661","0.002","90","","90","","90","","8657.2","1.4","100","2","100","2","","","","","","","","9","P n m a","-P 2ac 2n","62","","","","- C81 H99 B2 Cl8 F8 N2 O2 P2 Pd -","- C81 H92 B2 Cl8 F8 N2 O2 P2 Pd -","- C324 H368 B8 Cl32 F32 N8 O8 P8 Pd4 -","4","0.5","","Hirasawa, Kengo; Tanaka, Shinya; Horiuchi, Takeru; Kobayashi, Takahiro; Sato, Takumi; Morohashi, Naoya; Hattori, Tetsutaro","Pd(II) Complexes Ligated by 1,3-Bis(diphenylphosphino)calix[4]arene: Preparation, X-ray Structures, and Catalyses","Organometallics","2016","35","3","420","","10.1021/acs.organomet.5b00999","","","0.71073","MoKα","","0.1367","0.0975","","","0.2353","0.2626","","","","","","1.173","","","","has coordinates,has disorder","237463","2020-10-21","18:00:00",""
"4088320","22.4532","0.0008","10.6774","0.0003","38.2349","0.0014","90","","96.0361","0.0018","90","","9115.7","0.5","200","2","200","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C55 H43 F Ge Ir O P3 -","- C55 H43 F Ge Ir O P3 -","- C440 H344 F8 Ge8 Ir8 O8 P24 -","8","1","","Kameo, Hajime; Ikeda, Koki; Bourissou, Didier; Sakaki, Shigeyoshi; Takemoto, Shin; Nakazawa, Hiroshi; Matsuzaka, Hiroyuki","Transition-Metal-Mediated Germanium‒Fluorine Activation: Inverse Electron Flow in σ-Bond Metathesis","Organometallics","2016","35","5","713","","10.1021/acs.organomet.5b01000","","","0.7107","MoKα","","0.063","0.0537","","","0.1053","0.1116","","","","","","1.178","","","","has coordinates","237465","2020-10-21","18:00:00",""
"4088321","10.5656","0.0002","11.1147","0.0002","22.8124","0.0005","81.019","0.003","80.133","0.003","84.857","0.004","2601.51","0.09","200","2","200","2","","","","","","","","7","P -1","-P 1","2","","","","- C62 H50 Cl2 Ge Ir O P3 -","- C62 H50 Cl2 Ge Ir O P3 -","- C124 H100 Cl4 Ge2 Ir2 O2 P6 -","2","1","","Kameo, Hajime; Ikeda, Koki; Bourissou, Didier; Sakaki, Shigeyoshi; Takemoto, Shin; Nakazawa, Hiroshi; Matsuzaka, Hiroyuki","Transition-Metal-Mediated Germanium‒Fluorine Activation: Inverse Electron Flow in σ-Bond Metathesis","Organometallics","2016","35","5","713","","10.1021/acs.organomet.5b01000","","","0.7107","MoKα","","0.0415","0.0348","","","0.0653","0.0693","","","","","","1.063","","","","has coordinates,has disorder","237465","2020-10-21","18:00:00",""
"4088322","10.28","0.0003","13.6336","0.0004","12.6894","0.0004","90","","104.668","0.002","90","","1720.5","0.09","133","2","133","2","","","","","","","","6","P 1 n 1","P -2yac","7","","","","- C23 H50 Br2 Mg2 O8 Si2 -","- C23 H50 Br2 Mg2 O8 Si2 -","- C46 H100 Br4 Mg4 O16 Si4 -","2","1","","Fischer, Reinald; Görls, Helmar; Langer, Jens; Enke, Marcel; Westerhausen, Matthias","Magnesiacycloalkanes with Different Ring Sizes","Organometallics","2016","35","4","587","","10.1021/acs.organomet.5b01010","","","0.71073","MoKα","","0.0434","0.0386","","","0.0839","0.0881","","","","","","1.088","","","","has coordinates,has disorder","237468","2020-10-21","18:00:00",""
"4088323","17.2073","0.0003","22.8723","0.0004","17.6645","0.0003","90","","116.235","0.001","90","","6236.07","0.19","133","2","133","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H52 Mg2 O4 Si2 -","- C24 H52 Mg2 O4 Si2 -","- C192 H416 Mg16 O32 Si16 -","8","2","","Fischer, Reinald; Görls, Helmar; Langer, Jens; Enke, Marcel; Westerhausen, Matthias","Magnesiacycloalkanes with Different Ring Sizes","Organometallics","2016","35","4","587","","10.1021/acs.organomet.5b01010","","","0.71073","MoKα","","0.1007","0.0711","","","0.1428","0.1591","","","","","","1.092","","","","has coordinates,has disorder","237468","2020-10-21","18:00:00",""
"4088324","7.9111","0.0002","11.4856","0.0003","16.9013","0.0005","90","","96.841","0.002","90","","1524.78","0.07","133","2","133","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C14 H28 Mg O2 -","- C14 H28 Mg O2 -","- C56 H112 Mg4 O8 -","4","1","","Fischer, Reinald; Görls, Helmar; Langer, Jens; Enke, Marcel; Westerhausen, Matthias","Magnesiacycloalkanes with Different Ring Sizes","Organometallics","2016","35","4","587","","10.1021/acs.organomet.5b01010","","","0.71073","MoKα","","0.0545","0.044","","","0.096","0.1012","","","","","","1.095","","","","has coordinates","237468","2020-10-21","18:00:00",""
"4088325","8.4905","0.0006","9.2287","0.0006","12.9872","0.0008","70.008","0.004","80.746","0.004","64.989","0.004","866.47","0.1","133","2","133","2","","","","","","","","4","P -1","-P 1","2","","","","- C32 H64 Mg2 O4 -","- C32 H64 Mg2 O4 -","- C32 H64 Mg2 O4 -","1","0.5","","Fischer, Reinald; Görls, Helmar; Langer, Jens; Enke, Marcel; Westerhausen, Matthias","Magnesiacycloalkanes with Different Ring Sizes","Organometallics","2016","35","4","587","","10.1021/acs.organomet.5b01010","","","0.71073","MoKα","","0.086","0.0741","","","0.1806","0.1917","","","","","","1.096","","","","has coordinates,has disorder","237468","2020-10-21","18:00:00",""
"4088326","8.9034","0.0002","13.2987","0.0003","17.1263","0.0004","90","","104.568","0.001","90","","1962.62","0.08","133","2","133","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C36 H70 Mg2 O4 -","- C36 H70 Mg2 O4 -","- C72 H140 Mg4 O8 -","2","0.5","","Fischer, Reinald; Görls, Helmar; Langer, Jens; Enke, Marcel; Westerhausen, Matthias","Magnesiacycloalkanes with Different Ring Sizes","Organometallics","2016","35","4","587","","10.1021/acs.organomet.5b01010","","","0.71073","MoKα","","0.0519","0.0451","","","0.1143","0.1201","","","","","","1.042","","","","has coordinates,has disorder","237468","2020-10-21","18:00:00",""
"4088327","5.9425","0.0001","9.8998","0.0002","18.6847","0.0004","90","","92.551","0.001","90","","1098.12","0.04","133","2","133","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C9 H18 Cl2 -","- C9 H18 Cl2 -","- C36 H72 Cl8 -","4","1","","Fischer, Reinald; Görls, Helmar; Langer, Jens; Enke, Marcel; Westerhausen, Matthias","Magnesiacycloalkanes with Different Ring Sizes","Organometallics","2016","35","4","587","","10.1021/acs.organomet.5b01010","","","0.71073","MoKα","","0.0248","0.023","","","0.0569","0.0582","","","","","","1.054","","","","has coordinates","237468","2020-10-21","18:00:00",""
"4088328","34.2935","0.0006","13.5929","0.0002","15.3427","0.0002","90","","93.245","0.001","90","","7140.5","0.19","133","2","133","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C23 H50 Br2 Mg2 O4 Si2 -","- C23 H50 Br2 Mg2 O4 Si2 -","- C184 H400 Br16 Mg16 O32 Si16 -","8","1","","Fischer, Reinald; Görls, Helmar; Langer, Jens; Enke, Marcel; Westerhausen, Matthias","Magnesiacycloalkanes with Different Ring Sizes","Organometallics","2016","35","4","587","","10.1021/acs.organomet.5b01010","","","0.71073","MoKα","","0.0697","0.0526","","","0.1407","0.1492","","","","","","1.064","","","","has coordinates,has disorder","237468","2020-10-21","18:00:00",""
"4088329","10.1402","0.0003","14.3567","0.0004","14.9971","0.0004","93.788","0.001","100.686","0.001","90.57","0.001","2140.18","0.1","173","","173","","","","","","","","","4","P -1","-P 1","2","","","","- C21 H35 N2 P -","- C21 H35 N2 P -","- C84 H140 N8 P4 -","4","2","","Marchenko, Anatoliy; Koidan, Georgyi; Hurieva, Anastasiia N.; Vlasenko, Yurii; Kostyuk, Aleksandr; Biffis, Andrea","Chelate Palladium(II) Complexes with Saturated N-Phosphanyl-N-Heterocyclic Carbene Ligands: Synthesis and Catalysis","Organometallics","2016","35","5","762","","10.1021/acs.organomet.5b01019","","","0.71073","MoKα","","0.0884","0.0525","","0.1187","0.1023","0.0965","","","","","","0.9092","","","","has coordinates","237470","2020-10-21","18:00:00",""
"4088330","9.4381","0.0016","12.831","0.002","17.115","0.003","90","","90","","90","","2072.6","0.6","173","","173","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C18 H29 Cl2 N2 P Pd -","- C18 H29 Cl2 N2 P Pd -","- C72 H116 Cl8 N8 P4 Pd4 -","4","1","","Marchenko, Anatoliy; Koidan, Georgyi; Hurieva, Anastasiia N.; Vlasenko, Yurii; Kostyuk, Aleksandr; Biffis, Andrea","Chelate Palladium(II) Complexes with Saturated N-Phosphanyl-N-Heterocyclic Carbene Ligands: Synthesis and Catalysis","Organometallics","2016","35","5","762","","10.1021/acs.organomet.5b01019","","","0.71073","MoKα","","0.0539","0.0482","","0.0525","0.0513","0.0503","","","","","","1.0722","","","","has coordinates","237470","2020-10-21","18:00:00",""
"4088331","7.8616","0.0003","28.4967","0.001","12.2214","0.0004","90","","103.744","0.002","90","","2659.56","0.16","123","","123","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C46 H73 Cl4 N6 P2 Pd2 -","- C46 H73 Cl4 N6 P2 Pd2 -","- C92 H146 Cl8 N12 P4 Pd4 -","2","0.5","","Marchenko, Anatoliy; Koidan, Georgyi; Hurieva, Anastasiia N.; Vlasenko, Yurii; Kostyuk, Aleksandr; Biffis, Andrea","Chelate Palladium(II) Complexes with Saturated N-Phosphanyl-N-Heterocyclic Carbene Ligands: Synthesis and Catalysis","Organometallics","2016","35","5","762","","10.1021/acs.organomet.5b01019","","","0.71073","MoKα","","0.0524","0.0391","","0.0373","0.0335","0.032","","","","","","1.094","","","","has coordinates","237470","2020-10-21","18:00:00",""
"4088332","7.5755","0.0002","29.6946","0.0007","12.1841","0.0003","90","","101.266","0.001","90","","2688.02","0.12","173","","173","","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C22 H39 Cl2 N2 O P Pd S -","- C22 H39 Cl2 N2 O P Pd S -","- C88 H156 Cl8 N8 O4 P4 Pd4 S4 -","4","1","","Marchenko, Anatoliy; Koidan, Georgyi; Hurieva, Anastasiia N.; Vlasenko, Yurii; Kostyuk, Aleksandr; Biffis, Andrea","Chelate Palladium(II) Complexes with Saturated N-Phosphanyl-N-Heterocyclic Carbene Ligands: Synthesis and Catalysis","Organometallics","2016","35","5","762","","10.1021/acs.organomet.5b01019","","","0.71073","MoKα","","0.0495","0.0409","","0.037","0.0349","0.0342","","","","","","1.108","","","","has coordinates","237470","2020-10-21","18:00:00",""
"4088333","19.915","0.009","19.915","0.009","8.807","0.004","90","","90","","90","","3493","3","93","","93","","","","","","","","","6","P 21 21 2","P 2 2ab","18","","","","- C28 H48 F6 Fe N8 P -","- C28 H48 F6 Fe N8 P -","- C112 H192 F24 Fe4 N32 P4 -","4","1","","Ohki, Yasuhiro; Hoshino, Ryoko; Tatsumi, Kazuyuki","N-Heterocyclic Carbene Complexes of Three- and Four-Coordinate Fe(I)","Organometallics","2016","35","10","1368","","10.1021/acs.organomet.5b01025","","","0.71075","MoKα","","","0.0798","","","","0.2278","","","","","","1.012","","","","has coordinates","237471","2020-10-21","18:00:00",""
"4088334","11.329","0.003","12.795","0.004","19.63","0.005","97.53","0.004","90.594","0.004","102.621","0.004","2750.5","1.3","173","","173","","","","","","","","","7","P -1","-P 1","2","","","","- C48 H64 F6 Fe N8 O3 P -","- C48 H64 F6 Fe N8 O3 P -","- C96 H128 F12 Fe2 N16 O6 P2 -","2","1","","Ohki, Yasuhiro; Hoshino, Ryoko; Tatsumi, Kazuyuki","N-Heterocyclic Carbene Complexes of Three- and Four-Coordinate Fe(I)","Organometallics","2016","35","10","1368","","10.1021/acs.organomet.5b01025","","","0.71075","MoKα","","","0.0858","","","","0.1962","","","","","","1.011","","","","has coordinates","237471","2020-10-21","18:00:00",""
"4088335","22.41","0.006","11.528","0.003","20.72","0.005","90","","91.487","0.004","90","","5351","2","173","","173","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C50 H84 F6.96 Fe N8 P -","- C50 H84 F6.96 Fe N8 P -","- C200 H336 F27.84 Fe4 N32 P4 -","4","0.5","","Ohki, Yasuhiro; Hoshino, Ryoko; Tatsumi, Kazuyuki","N-Heterocyclic Carbene Complexes of Three- and Four-Coordinate Fe(I)","Organometallics","2016","35","10","1368","","10.1021/acs.organomet.5b01025","","","0.71075","MoKα","","","0.0594","","","","0.1713","","","","","","1.05","","","","has coordinates","237471","2020-10-21","18:00:00",""
"4088336","11.622","0.003","13.425","0.003","16.377","0.005","95.89","0.005","98.93","0.004","97.354","0.005","2483.8","1.1","293","","293","","","","","","","","","7","P -1","-P 1","2","","","","- C50 H56 F6 Fe N4 O2 P -","- C50 H56 F6 Fe N4 O2 P -","- C100 H112 F12 Fe2 N8 O4 P2 -","2","1","","Ohki, Yasuhiro; Hoshino, Ryoko; Tatsumi, Kazuyuki","N-Heterocyclic Carbene Complexes of Three- and Four-Coordinate Fe(I)","Organometallics","2016","35","10","1368","","10.1021/acs.organomet.5b01025","","","0.71075","MoKα","","","0.0768","","","","0.2481","","","","","","1.076","","","","has coordinates","237471","2020-10-21","18:00:00",""
"4088337","12.4603","","13.1644","","18.5132","","90","","100.418","","90","","2986.7","","293","","293","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C29 H43 F6 Fe N2 P -","- C29 H43 F6 Fe N2 P -","- C116 H172 F24 Fe4 N8 P4 -","4","1","","Ohki, Yasuhiro; Hoshino, Ryoko; Tatsumi, Kazuyuki","N-Heterocyclic Carbene Complexes of Three- and Four-Coordinate Fe(I)","Organometallics","2016","35","10","1368","","10.1021/acs.organomet.5b01025","","","0.71075","MoKα","","0.0805","0.0689","","","0.1969","0.2104","","","","","","1.112","","","","has coordinates","237471","2020-10-21","18:00:00",""
"4088338","11.922","0.003","14.727","0.004","8.545","0.002","90","","90","","90","","1500.3","0.7","293","","293","","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C11 H21 F6 N2 P -","- C11 H21 F6 N2 P -","- C44 H84 F24 N8 P4 -","4","0.5","","Ohki, Yasuhiro; Hoshino, Ryoko; Tatsumi, Kazuyuki","N-Heterocyclic Carbene Complexes of Three- and Four-Coordinate Fe(I)","Organometallics","2016","35","10","1368","","10.1021/acs.organomet.5b01025","","","0.71075","MoKα","","0.0851","0.0751","","","0.2098","0.2199","","","","","","1.085","","","","has coordinates","275250","2022-05-09","02:02:01",""
"4088339","14.953","0.007","19.122","0.009","21.4475","0.001","79.2889","0.001","81.976","0.009","89.115","0.012","5966","4","93","","93","","","","","","","","","7","P -1","-P 1","2","","","","- C60.5 H79 Al Cl N O4 Zr -","- C60.5 H79 Al Cl N O4 Zr -","- C242 H316 Al4 Cl4 N4 O16 Zr4 -","4","2","","Tewasekson, Udomchai; Tsutsumi, Ken; Nomura, Kotohiro","Synthesis and Structural Analysis of Zr‒Al Heterobimetallic Complexes, [ZrX{(O-2,4-tBu2C6H2-6-CH2)3(μ2-O-2,4-tBu2-C6H2-6-CH2)}N][R2Al(μ2-OiPr)] [X = Cl, Et, iBu; R = Me, Et, iBu]. Unique Reactivity of the iBu Complex","Organometallics","2016","35","6","866","","10.1021/acs.organomet.5b01027","","","0.71075","MoKα","","","0.0621","","","","0.1561","","","","","","1.078","","","","has coordinates","254024","2020-10-21","18:00:00",""
"4088340","13.952","0.004","14.19","0.005","28.992","0.009","90","","90.832","0.003","90","","5739","3","93","","93","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C57 H88 Al N O4 Zr -","- C57 H88 Al N O4 Zr -","- C228 H352 Al4 N4 O16 Zr4 -","4","1","","Tewasekson, Udomchai; Tsutsumi, Ken; Nomura, Kotohiro","Synthesis and Structural Analysis of Zr‒Al Heterobimetallic Complexes, [ZrX{(O-2,4-tBu2C6H2-6-CH2)3(μ2-O-2,4-tBu2-C6H2-6-CH2)}N][R2Al(μ2-OiPr)] [X = Cl, Et, iBu; R = Me, Et, iBu]. Unique Reactivity of the iBu Complex","Organometallics","2016","35","6","866","","10.1021/acs.organomet.5b01027","","","0.71075","MoKα","","","0.0588","","","","0.2077","","","","","","1.107","","","","has coordinates","237473","2020-10-21","18:00:00",""
"4088341","18.482","0.01","22.798","0.013","17.124","0.011","90","","110.915","0.005","90","","6740","7","93","","93","","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C66 H100 Al N O4 Zr -","- C66 H100 Al N O4 Zr -","- C264 H400 Al4 N4 O16 Zr4 -","4","1","","Tewasekson, Udomchai; Tsutsumi, Ken; Nomura, Kotohiro","Synthesis and Structural Analysis of Zr‒Al Heterobimetallic Complexes, [ZrX{(O-2,4-tBu2C6H2-6-CH2)3(μ2-O-2,4-tBu2-C6H2-6-CH2)}N][R2Al(μ2-OiPr)] [X = Cl, Et, iBu; R = Me, Et, iBu]. Unique Reactivity of the iBu Complex","Organometallics","2016","35","6","866","","10.1021/acs.organomet.5b01027","","","0.71075","MoKα","","","0.0343","","","","0.0978","","","","","","1.06","","","","has coordinates","237473","2020-10-21","18:00:00",""
"4088342","20.6345","0.001","8.0577","0.0004","12.4254","0.0006","90","","90","","90","","2065.93","0.17","150","2","150","2","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C17 H29 I N O P Pd -","- C17 H29 I N O P Pd -","- C68 H116 I4 N4 O4 P4 Pd4 -","4","1","","Khake, Shrikant M.; Jagtap, Rahul A.; Dangat, Yuvraj B.; Gonnade, Rajesh G.; Vanka, Kumar; Punji, Benudhar","Mechanistic Insights into Pincer-Ligated Palladium-Catalyzed Arylation of Azoles with Aryl Iodides: Evidence of a PdII‒PdIV‒PdII Pathway","Organometallics","2016","35","6","875","","10.1021/acs.organomet.6b00003","","","0.71073","MoKα","","0.0213","0.021","","","0.0529","0.053","","","","","","1.056","","","","has coordinates","237475","2020-10-21","18:00:00",""
"4088343","16.2191","0.0007","12.0992","0.0006","25.0235","0.0011","90","","98.253","0.002","90","","4859.7","0.4","150","2","150","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C24 H33 N2 O P Pd S -","- C24 H33 N2 O P Pd S -","- C192 H264 N16 O8 P8 Pd8 S8 -","8","2","","Khake, Shrikant M.; Jagtap, Rahul A.; Dangat, Yuvraj B.; Gonnade, Rajesh G.; Vanka, Kumar; Punji, Benudhar","Mechanistic Insights into Pincer-Ligated Palladium-Catalyzed Arylation of Azoles with Aryl Iodides: Evidence of a PdII‒PdIV‒PdII Pathway","Organometallics","2016","35","6","875","","10.1021/acs.organomet.6b00003","","","0.71073","MoKα","","0.0359","0.0284","","","0.0578","0.0607","","","","","","1.062","","","","has coordinates,has disorder","237477","2020-10-21","18:00:00",""
"4088344","20.8926","0.0008","8.161","0.0003","11.7355","0.0004","90","","90","","90","","2000.96","0.13","296","2","296","2","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C17 H29 Cl N O P Pd -","- C17 H29 Cl N O P Pd -","- C68 H116 Cl4 N4 O4 P4 Pd4 -","4","1","","Khake, Shrikant M.; Jagtap, Rahul A.; Dangat, Yuvraj B.; Gonnade, Rajesh G.; Vanka, Kumar; Punji, Benudhar","Mechanistic Insights into Pincer-Ligated Palladium-Catalyzed Arylation of Azoles with Aryl Iodides: Evidence of a PdII‒PdIV‒PdII Pathway","Organometallics","2016","35","6","875","","10.1021/acs.organomet.6b00003","","","0.71073","MoKα","","0.0394","0.0303","","","0.06","0.0636","","","","","","1.038","","","","has coordinates","237479","2020-10-21","18:00:00",""
"4088345","9.492","0.0003","10.2189","0.0004","10.52","0.0003","97.84","0.001","92.207","0.001","106.896","0.001","963.95","0.06","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H27 Cl N2 Ti -","- C20 H27 Cl N2 Ti -","- C40 H54 Cl2 N4 Ti2 -","2","1","","Večeřa, Miloš; Varga, Vojtech; Císařová, Ivana; Pinkas, Jiří; Kucharczyk, Pavel; Sedlařík, Vladimír; Lamač, Martin","Group 4 Metal Complexes of Chelating Cyclopentadienyl-ketimide Ligands","Organometallics","2016","35","5","785","","10.1021/acs.organomet.6b00019","","","0.71073","MoKα","","0.0267","0.0249","","","0.0668","0.0682","","","","","","1.059","","","","has coordinates","237483","2020-10-21","18:00:00",""
"4088346","8.3883","0.0009","19.5244","0.0009","15.0846","0.0009","90","","95.65","0.004","90","","2458.5","0.3","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C26 H40 Cl Hf N -","- C26 H40 Cl Hf N -","- C104 H160 Cl4 Hf4 N4 -","4","1","","Večeřa, Miloš; Varga, Vojtech; Císařová, Ivana; Pinkas, Jiří; Kucharczyk, Pavel; Sedlařík, Vladimír; Lamač, Martin","Group 4 Metal Complexes of Chelating Cyclopentadienyl-ketimide Ligands","Organometallics","2016","35","5","785","","10.1021/acs.organomet.6b00019","","","0.71073","MoKα","","0.0268","0.0211","","","0.0404","0.042","","","","","","1.038","","","","has coordinates","237484","2020-10-21","18:00:00",""
"4088347","9.1253","0.0003","12.2397","0.0004","16.2459","0.0005","105.719","0.001","90.49","0.001","92.654","0.001","1744.37","0.1","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H25 Cl2 N Ti -","- C16 H25 Cl2 N Ti -","- C64 H100 Cl8 N4 Ti4 -","4","2","","Večeřa, Miloš; Varga, Vojtech; Císařová, Ivana; Pinkas, Jiří; Kucharczyk, Pavel; Sedlařík, Vladimír; Lamač, Martin","Group 4 Metal Complexes of Chelating Cyclopentadienyl-ketimide Ligands","Organometallics","2016","35","5","785","","10.1021/acs.organomet.6b00019","","","0.71073","MoKα","","0.0328","0.0285","","","0.0734","0.0766","","","","","","1.029","","","","has coordinates","237486","2020-10-21","18:00:00",""
"4088348","9.6985","0.0007","13.1527","0.0014","12.3263","0.0008","90","","99.228","0.002","90","","1552","0.2","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C30 H48 Cl2 N2 Ti2 -","- C30 H48 Cl2 N2 Ti2 -","- C60 H96 Cl4 N4 Ti4 -","2","0.5","","Večeřa, Miloš; Varga, Vojtech; Císařová, Ivana; Pinkas, Jiří; Kucharczyk, Pavel; Sedlařík, Vladimír; Lamač, Martin","Group 4 Metal Complexes of Chelating Cyclopentadienyl-ketimide Ligands","Organometallics","2016","35","5","785","","10.1021/acs.organomet.6b00019","","","0.71073","MoKα","","0.0564","0.0508","","","0.1337","0.1389","","","","","","1.058","","","","has coordinates,has disorder","237487","2020-10-21","18:00:00",""
"4088349","10.0032","0.0002","14.9414","0.0004","13.9361","0.0003","90","","108.754","0.001","90","","1972.33","0.08","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C21 H30 Cl N Zr -","- C21 H30 Cl N Zr -","- C84 H120 Cl4 N4 Zr4 -","4","1","","Večeřa, Miloš; Varga, Vojtech; Císařová, Ivana; Pinkas, Jiří; Kucharczyk, Pavel; Sedlařík, Vladimír; Lamač, Martin","Group 4 Metal Complexes of Chelating Cyclopentadienyl-ketimide Ligands","Organometallics","2016","35","5","785","","10.1021/acs.organomet.6b00019","","","0.71073","MoKα","","0.0245","0.0212","","","0.0532","0.0551","","","","","","1.032","","","","has coordinates","237488","2020-10-21","18:00:00",""
"4088350","7.0709","0.0002","13.5193","0.0004","18.3809","0.0004","90","","100.332","0.001","90","","1728.61","0.08","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H21 Cl2 N Ti -","- C18 H21 Cl2 N Ti -","- C72 H84 Cl8 N4 Ti4 -","4","1","","Večeřa, Miloš; Varga, Vojtech; Císařová, Ivana; Pinkas, Jiří; Kucharczyk, Pavel; Sedlařík, Vladimír; Lamač, Martin","Group 4 Metal Complexes of Chelating Cyclopentadienyl-ketimide Ligands","Organometallics","2016","35","5","785","","10.1021/acs.organomet.6b00019","","","0.71073","MoKα","","0.0388","0.0296","","","0.068","0.0719","","","","","","1.048","","","","has coordinates","237489","2020-10-21","18:00:00",""
"4088351","10.0627","0.0002","17.494","0.0003","17.658","0.0003","90","","105.034","0.001","90","","3002.06","0.09","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C27 H44 Cl5 N Ti -","- C27 H44 Cl5 N Ti -","- C108 H176 Cl20 N4 Ti4 -","4","1","","Večeřa, Miloš; Varga, Vojtech; Císařová, Ivana; Pinkas, Jiří; Kucharczyk, Pavel; Sedlařík, Vladimír; Lamač, Martin","Group 4 Metal Complexes of Chelating Cyclopentadienyl-ketimide Ligands","Organometallics","2016","35","5","785","","10.1021/acs.organomet.6b00019","","","0.71073","MoKα","","0.0468","0.0401","","","0.1026","0.1083","","","","","","0.986","","","","has coordinates","237490","2020-10-21","18:00:00",""
"4088352","8.3488","0.0002","19.1766","0.0004","15.045","0.0003","90","","95.484","0.001","90","","2397.7","0.09","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C26 H40 Cl N Ti -","- C26 H40 Cl N Ti -","- C104 H160 Cl4 N4 Ti4 -","4","1","","Večeřa, Miloš; Varga, Vojtech; Císařová, Ivana; Pinkas, Jiří; Kucharczyk, Pavel; Sedlařík, Vladimír; Lamač, Martin","Group 4 Metal Complexes of Chelating Cyclopentadienyl-ketimide Ligands","Organometallics","2016","35","5","785","","10.1021/acs.organomet.6b00019","","","0.71073","MoKα","","0.0472","0.0387","","","0.0936","0.0976","","","","","","1.03","","","","has coordinates","237492","2020-10-21","18:00:00",""
"4088353","9.5499","0.0002","20.0815","0.0004","15.7711","0.0003","90","","98.4422","0.0008","90","","2991.75","0.1","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C29 H39 Cl4 N Zr -","- C29 H39 Cl4 N Zr -","- C116 H156 Cl16 N4 Zr4 -","4","1","","Večeřa, Miloš; Varga, Vojtech; Císařová, Ivana; Pinkas, Jiří; Kucharczyk, Pavel; Sedlařík, Vladimír; Lamač, Martin","Group 4 Metal Complexes of Chelating Cyclopentadienyl-ketimide Ligands","Organometallics","2016","35","5","785","","10.1021/acs.organomet.6b00019","","","0.71073","MoKα","","0.0447","0.0399","","","0.1021","0.1057","","","","","","1.039","","","","has coordinates,has disorder","237493","2020-10-21","18:00:00",""
"4088354","10.89","0.0003","14.0482","0.0005","15.8809","0.0005","90","","94.102","0.001","90","","2423.31","0.13","150","2","150","2","","","","","","","synthesized by the authors","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H36 Cl N Ti -","- C28 H36 Cl N Ti -","- C112 H144 Cl4 N4 Ti4 -","4","1","","Večeřa, Miloš; Varga, Vojtech; Císařová, Ivana; Pinkas, Jiří; Kucharczyk, Pavel; Sedlařík, Vladimír; Lamač, Martin","Group 4 Metal Complexes of Chelating Cyclopentadienyl-ketimide Ligands","Organometallics","2016","35","5","785","","10.1021/acs.organomet.6b00019","","","0.71073","MoKα","","0.0469","0.0349","","","0.0847","0.091","","","","","","1.042","","","","has coordinates","237494","2020-10-21","18:00:00",""
"4088355","14.107","0.0005","8.9063","0.0003","17.467","0.0006","90","","104.449","0.001","90","","2125.16","0.13","150","2","150","2","","","","","","","synthesized by the authors","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H31 Cl2 N Ti -","- C22 H31 Cl2 N Ti -","- C88 H124 Cl8 N4 Ti4 -","4","1","","Večeřa, Miloš; Varga, Vojtech; Císařová, Ivana; Pinkas, Jiří; Kucharczyk, Pavel; Sedlařík, Vladimír; Lamač, Martin","Group 4 Metal Complexes of Chelating Cyclopentadienyl-ketimide Ligands","Organometallics","2016","35","5","785","","10.1021/acs.organomet.6b00019","","","0.71073","MoKα","","0.0328","0.0272","","","0.0681","0.0713","","","","","","1.036","","","","has coordinates","237495","2020-10-21","18:00:00",""
"4088356","8.385","0.0004","19.5777","0.001","15.0751","0.0007","90","","95.63","0.002","90","","2462.8","0.2","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C26 H40 Cl N Zr -","- C26 H40 Cl N Zr -","- C104 H160 Cl4 N4 Zr4 -","4","1","","Večeřa, Miloš; Varga, Vojtech; Císařová, Ivana; Pinkas, Jiří; Kucharczyk, Pavel; Sedlařík, Vladimír; Lamač, Martin","Group 4 Metal Complexes of Chelating Cyclopentadienyl-ketimide Ligands","Organometallics","2016","35","5","785","","10.1021/acs.organomet.6b00019","","","0.71073","MoKα","","0.0284","0.0252","","","0.0606","0.0633","","","","","","1.036","","","","has coordinates","237496","2020-10-21","18:00:00",""
"4088357","13.3356","0.0004","14.9358","0.0004","17.9026","0.0004","102.292","0.001","91.094","0.001","113.166","0.001","3182.07","0.15","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C27 H43 Cl6 N Zr -","- C27 H43 Cl6 N Zr -","- C108 H172 Cl24 N4 Zr4 -","4","2","","Večeřa, Miloš; Varga, Vojtech; Císařová, Ivana; Pinkas, Jiří; Kucharczyk, Pavel; Sedlařík, Vladimír; Lamač, Martin","Group 4 Metal Complexes of Chelating Cyclopentadienyl-ketimide Ligands","Organometallics","2016","35","5","785","","10.1021/acs.organomet.6b00019","","","0.71073","MoKα","","0.048","0.0367","","","0.0875","0.0934","","","","","","1.03","","","","has coordinates","237498","2020-10-21","18:00:00",""
"4088358","12.2332","0.0014","9.8643","0.0011","13.7723","0.0016","90","","113.591","0.002","90","","1523","0.3","130","","130","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H17 Fe N O -","- C20 H17 Fe N O -","- C80 H68 Fe4 N4 O4 -","4","1","","Wang, Shao-Bo; Zheng, Jun; You, Shu-Li","Synthesis of Ferrocene-Based Pyridinones through Rh(III)-Catalyzed Direct C‒H Functionalization Reaction","Organometallics","2016","35","10","1420","","10.1021/acs.organomet.6b00020","","","0.71073","MoKα","","0.0675","0.04","","","0.0842","0.0944","","","","","","1.021","","","","has coordinates","237500","2020-10-21","18:00:00",""
"4088359","9.5811","0.0002","14.1422","0.0002","23.1421","0.0002","90","","97.409","0.001","90","","3109.52","0.08","200","2","200","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","6g in manuscript","","","- C31 H52 Au Cl N2 -","- C31 H52 Au Cl N2 -","- C124 H208 Au4 Cl4 N8 -","4","1","","Wurm, Thomas; Mulks, Florian; Böhling, Constantin R. N.; Riedel, Dominic; Zargaran, Poorya; Rudolph, Matthias; Rominger, Frank; Hashmi, A. Stephen K.","Synthesis of Different Classes of Six-Membered Gold(I) NHC Complexes by the Isonitrile Route","Organometallics","2016","35","8","1070","","10.1021/acs.organomet.6b00023","","","0.71073","MoKα","","0.0505","0.0342","","","0.0841","0.0936","","","","","","1.05","","","","has coordinates,has disorder","237503","2020-10-21","18:00:00",""
"4088360","21.609","0.004","21.609","0.004","9.5009","0.0019","90","","90","","90","","4436.4","1.5","200","2","200","2","","","","","","","","6","P 42/n :2","-P 4bc","86","6l in manuscript","","","- C20 H32 Au Cl N2 O -","- C20 H32 Au Cl N2 O -","- C160 H256 Au8 Cl8 N16 O8 -","8","1","","Wurm, Thomas; Mulks, Florian; Böhling, Constantin R. N.; Riedel, Dominic; Zargaran, Poorya; Rudolph, Matthias; Rominger, Frank; Hashmi, A. Stephen K.","Synthesis of Different Classes of Six-Membered Gold(I) NHC Complexes by the Isonitrile Route","Organometallics","2016","35","8","1070","","10.1021/acs.organomet.6b00023","","","0.71073","MoKα","","0.0611","0.0456","","","0.0782","0.0828","","","","","","1.119","","","","has coordinates,has disorder","237503","2020-10-21","18:00:00",""
"4088361","9.0146","0.001","9.6658","0.001","19.561","0.002","80.2718","0.0019","77.666","0.002","66.636","0.002","1521.8","0.3","200","2","200","2","","","","","","","","5","P -1","-P 1","2","8 in manuscript","","","- C30 H50 Au Cl N2 -","- C30 H50 Au Cl N2 -","- C60 H100 Au2 Cl2 N4 -","2","1","","Wurm, Thomas; Mulks, Florian; Böhling, Constantin R. N.; Riedel, Dominic; Zargaran, Poorya; Rudolph, Matthias; Rominger, Frank; Hashmi, A. Stephen K.","Synthesis of Different Classes of Six-Membered Gold(I) NHC Complexes by the Isonitrile Route","Organometallics","2016","35","8","1070","","10.1021/acs.organomet.6b00023","","","0.71073","MoKα","","0.041","0.0335","","","0.074","0.0761","","","","","","1.152","","","","has coordinates","237503","2020-10-21","18:00:00",""
"4088362","14.7025","0.0014","17.8447","0.0018","18.6571","0.0019","90","","90","","90","","4894.9","0.8","200","2","200","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","9 in manuscript","","","- C23 H36 Au Br0.92 Cl0.08 N2 O -","- C23 H36 Au Br0.918 Cl0.082 N2 O -","- C184 H288 Au8 Br7.344 Cl0.656 N16 O8 -","8","1","","Wurm, Thomas; Mulks, Florian; Böhling, Constantin R. N.; Riedel, Dominic; Zargaran, Poorya; Rudolph, Matthias; Rominger, Frank; Hashmi, A. Stephen K.","Synthesis of Different Classes of Six-Membered Gold(I) NHC Complexes by the Isonitrile Route","Organometallics","2016","35","8","1070","","10.1021/acs.organomet.6b00023","","","0.71073","MoKα","","0.0686","0.0388","","","0.077","0.0863","","","","","","1.066","","","","has coordinates,has disorder","237503","2020-10-21","18:00:00",""
"4088363","10.28","0.003","15.25","0.004","12.261","0.003","90","","105.961","0.005","90","","1848.1","0.9","200","2","200","2","","","","","","","","5","P 1 21 1","P 2yb","4","11 in manuscript","","","- C34 H49 Cl4 N3 Pd -","- C34 H49 Cl4 N3 Pd -","- C68 H98 Cl8 N6 Pd2 -","2","1","","Wurm, Thomas; Mulks, Florian; Böhling, Constantin R. N.; Riedel, Dominic; Zargaran, Poorya; Rudolph, Matthias; Rominger, Frank; Hashmi, A. Stephen K.","Synthesis of Different Classes of Six-Membered Gold(I) NHC Complexes by the Isonitrile Route","Organometallics","2016","35","8","1070","","10.1021/acs.organomet.6b00023","","","0.71073","MoKα","","0.0973","0.077","","","0.1656","0.1752","","","","","","1.102","","","","has coordinates","237503","2020-10-21","18:00:00",""
"4088364","9.164","0.0005","10.1233","0.0005","19.4137","0.001","90.397","0.001","102.347","0.001","115.982","0.001","1571.12","0.14","200","2","200","2","","","","","","","","6","P -1","-P 1","2","17c in manuscript","","","- C31 H52 Au Cl N2 O -","- C31 H52 Au Cl N2 O -","- C62 H104 Au2 Cl2 N4 O2 -","2","1","","Wurm, Thomas; Mulks, Florian; Böhling, Constantin R. N.; Riedel, Dominic; Zargaran, Poorya; Rudolph, Matthias; Rominger, Frank; Hashmi, A. Stephen K.","Synthesis of Different Classes of Six-Membered Gold(I) NHC Complexes by the Isonitrile Route","Organometallics","2016","35","8","1070","","10.1021/acs.organomet.6b00023","","","0.71073","MoKα","","0.0305","0.0235","","","0.0451","0.0469","","","","","","1.036","","","","has coordinates,has disorder","237503","2020-10-21","18:00:00",""
"4088365","11.2485","0.0013","16.1658","0.0018","12.5996","0.0014","90","","90.103","0.002","90","","2291.1","0.4","200","2","200","2","","","","","","","","5","P 1 21 1","P 2yb","4","18b in manuscript","","","- C22 H32 Au Cl N2 -","- C22 H32 Au Cl N2 -","- C88 H128 Au4 Cl4 N8 -","4","2","","Wurm, Thomas; Mulks, Florian; Böhling, Constantin R. N.; Riedel, Dominic; Zargaran, Poorya; Rudolph, Matthias; Rominger, Frank; Hashmi, A. Stephen K.","Synthesis of Different Classes of Six-Membered Gold(I) NHC Complexes by the Isonitrile Route","Organometallics","2016","35","8","1070","","10.1021/acs.organomet.6b00023","","","0.71073","MoKα","","0.0321","0.0292","","","0.0631","0.0643","","","","","","0.976","","","","has coordinates","237503","2020-10-21","18:00:00",""
"4088366","7.5907","0.0005","24.7448","0.0017","14.0482","0.001","90","","102.102","0.001","90","","2580","0.3","200","2","200","2","","","","","","","","6","C 1 c 1","C -2yc","9","19 in manuscript","","","- C26 H40 Au Cl N2 O -","- C26 H40 Au Cl N2 O -","- C104 H160 Au4 Cl4 N8 O4 -","4","1","","Wurm, Thomas; Mulks, Florian; Böhling, Constantin R. N.; Riedel, Dominic; Zargaran, Poorya; Rudolph, Matthias; Rominger, Frank; Hashmi, A. Stephen K.","Synthesis of Different Classes of Six-Membered Gold(I) NHC Complexes by the Isonitrile Route","Organometallics","2016","35","8","1070","","10.1021/acs.organomet.6b00023","","","0.71073","MoKα","","0.0261","0.0216","","","0.0453","0.0467","","","","","","1.029","","","","has coordinates,has disorder","237503","2020-10-21","18:00:00",""
"4088367","10.5381","0.0013","19.114","0.002","16.3664","0.0019","90","","97.2","0.002","90","","3270.6","0.7","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C36 H48 Cu N3 -","- C36 H48 Cu N3 -","- C144 H192 Cu4 N12 -","4","1","","Jordan, Abraham J.; Wyss, Chelsea M.; Bacsa, John; Sadighi, Joseph P.","Synthesis and Reactivity of New Copper(I) Hydride Dimers","Organometallics","2016","35","5","613","","10.1021/acs.organomet.6b00025","","","0.71073","MoKα","","0.0654","0.0491","","","0.118","0.128","","","","","","1.062","","","","has coordinates","237505","2020-10-21","18:00:00",""
"4088368","14.4269","0.0011","16.0783","0.0012","19.3107","0.0014","105.232","0.001","108.433","0.001","98.507","0.001","3967.5","0.5","100","","100","","","","","","","","","7","P -1","-P 1","2","","","","- C38 H53 Cl4 F3 N2 P Ru -","- C38 H53 Cl4 F3 N2 P Ru -","- C152 H212 Cl16 F12 N8 P4 Ru4 -","4","2","","Engl, Pascal S.; Fedorov, Alexey; Copéret, Christophe; Togni, Antonio","N-Trifluoromethyl NHC Ligands Provide Selective Ruthenium Metathesis Catalysts","Organometallics","2016","35","6","887","","10.1021/acs.organomet.6b00028","","x-ray","0.71073","MoKα","","0.043","0.036","","","0.0934","0.0984","","","","","","1.047","","","","has coordinates","237507","2020-10-21","18:00:00",""
"4088369","9.6135","0.0017","9.9787","0.0017","43.076","0.007","90","","90.906","0.002","90","","4131.8","1.2","101.7","","101.8","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C40 H50 Cl4 F3 N2 P Ru -","- C40 H50 Cl4 F3 N2 P Ru -","- C160 H200 Cl16 F12 N8 P4 Ru4 -","4","1","","Engl, Pascal S.; Fedorov, Alexey; Copéret, Christophe; Togni, Antonio","N-Trifluoromethyl NHC Ligands Provide Selective Ruthenium Metathesis Catalysts","Organometallics","2016","35","6","887","","10.1021/acs.organomet.6b00028","","x-ray","0.71073","MoKα","","0.1109","0.0675","","","0.1063","0.1185","","","","","","1.076","","","","has coordinates,has disorder","237509","2020-10-21","18:00:00",""
"4088370","10.3182","0.0006","13.869","0.0007","15.4984","0.0009","86.204","0.002","75.373","0.002","75.216","0.002","2074.9","0.2","103","","103.1","","","","","","","","","7","P -1","-P 1","2","","","","- C41 H49 Cl4 F6 N2 P Ru -","- C41 H49 Cl4 F6 N2 P Ru -","- C82 H98 Cl8 F12 N4 P2 Ru2 -","2","1","","Engl, Pascal S.; Fedorov, Alexey; Copéret, Christophe; Togni, Antonio","N-Trifluoromethyl NHC Ligands Provide Selective Ruthenium Metathesis Catalysts","Organometallics","2016","35","6","887","","10.1021/acs.organomet.6b00028","","x-ray","0.71073","MoKα","","0.0654","0.0436","","","0.0846","0.0941","","","","","","1.057","","","","has coordinates,has disorder","237510","2020-10-21","18:00:00",""
"4088371","10.9","0.004","12.12","0.004","21.564","0.007","82.724","0.014","76.397","0.012","85.928","0.016","2744.1","1.6","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C55 H92 Fe2 O5 P4 -","- C55 H92 Fe2 O5 P4 -","- C110 H184 Fe4 O10 P8 -","2","1","","Braunschweig, Holger; Dewhurst, Rian D.; Schneider, Christoph","Steric Control between Neutral Metal-Only Lewis Pairs and Metal-Stabilized Gallenium and Gallinium Cations","Organometallics","2016","35","7","1002","","10.1021/acs.organomet.6b00045","","","0.71073","MoKα","","0.0553","0.0355","","","0.0825","0.0896","","","","","","1.007","","","","has coordinates","237512","2020-10-21","18:00:00",""
"4088372","11.2213","0.0004","14.6564","0.0006","16.1887","0.0006","90","","90","","90","","2662.46","0.17","100","2","100","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C22 H33 Cl3 Fe Ga O4 P -","- C22 H33 Cl3 Fe Ga O4 P -","- C88 H132 Cl12 Fe4 Ga4 O16 P4 -","4","1","","Braunschweig, Holger; Dewhurst, Rian D.; Schneider, Christoph","Steric Control between Neutral Metal-Only Lewis Pairs and Metal-Stabilized Gallenium and Gallinium Cations","Organometallics","2016","35","7","1002","","10.1021/acs.organomet.6b00045","","","0.71073","MoKα","","0.0258","0.0232","","","0.0533","0.0544","","","","","","1.028","","","","has coordinates","237514","2020-10-21","18:00:00",""
"4088373","21.114","0.004","20.94","0.004","23.476","0.004","90","","94.039","0.007","90","","10354","3","100","2","100","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C96 H101 Cl12 F Fe2 Ga4 N8 O6 -","- C96 H101 Cl12 F Fe2 Ga4 N8 O6 -","- C384 H404 Cl48 F4 Fe8 Ga16 N32 O24 -","4","1","","Braunschweig, Holger; Dewhurst, Rian D.; Schneider, Christoph","Steric Control between Neutral Metal-Only Lewis Pairs and Metal-Stabilized Gallenium and Gallinium Cations","Organometallics","2016","35","7","1002","","10.1021/acs.organomet.6b00045","","","0.71073","MoKα","","0.0873","0.0653","","","0.1453","0.1547","","","","","","1.143","","","","has coordinates,has disorder","237516","2020-10-21","18:00:00",""
"4088374","11.196","0.003","22.85","0.004","13.571","0.002","90","","102.173","0.01","90","","3393.8","1.2","100","2","100","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C27 H33 Cl3 Fe Ga N2 O3 P -","- C27 H33 Cl3 Fe Ga N2 O3 P -","- C108 H132 Cl12 Fe4 Ga4 N8 O12 P4 -","4","1","","Braunschweig, Holger; Dewhurst, Rian D.; Schneider, Christoph","Steric Control between Neutral Metal-Only Lewis Pairs and Metal-Stabilized Gallenium and Gallinium Cations","Organometallics","2016","35","7","1002","","10.1021/acs.organomet.6b00045","","","0.71073","MoKα","","0.0383","0.0303","","","0.0716","0.0741","","","","","","1.064","","","","has coordinates","237518","2020-10-21","18:00:00",""
"4088375","9.826","0.002","17.838","0.008","22.715","0.008","90","","101.19","0.02","90","","3906","2","100","2","100","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C39 H45 Cl3 Fe Ga N2 O3 P -","- C39 H45 Cl3 Fe Ga N2 O3 P -","- C156 H180 Cl12 Fe4 Ga4 N8 O12 P4 -","4","1","","Braunschweig, Holger; Dewhurst, Rian D.; Schneider, Christoph","Steric Control between Neutral Metal-Only Lewis Pairs and Metal-Stabilized Gallenium and Gallinium Cations","Organometallics","2016","35","7","1002","","10.1021/acs.organomet.6b00045","","","0.71073","MoKα","","0.0724","0.0518","","","0.1328","0.1416","","","","","","1.108","","","","has coordinates","237519","2020-10-21","18:00:00",""
"4088376","10.7556","0.0018","21.11","0.003","14.383","0.004","90","","107.649","0.012","90","","3112","1.1","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C26 H26 Cl5 Fe Ga N2 O4 -","- C26 H26 Cl5 Fe Ga N2 O4 -","- C104 H104 Cl20 Fe4 Ga4 N8 O16 -","4","1","","Braunschweig, Holger; Dewhurst, Rian D.; Schneider, Christoph","Steric Control between Neutral Metal-Only Lewis Pairs and Metal-Stabilized Gallenium and Gallinium Cations","Organometallics","2016","35","7","1002","","10.1021/acs.organomet.6b00045","","","0.71073","MoKα","","0.0367","0.0306","","","0.0749","0.0781","","","","","","1.042","","","","has coordinates","237521","2020-10-21","18:00:00",""
"4088377","16.566","0.003","18.049","0.003","28.34","0.005","93.576","0.007","102.578","0.007","100.08","0.007","8098","2","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C140 H209 Cl12 F5 Fe4 Ga4 O10 P8 -","- C140 H209 Cl12 F5 Fe4 Ga4 O10 P8 -","- C280 H418 Cl24 F10 Fe8 Ga8 O20 P16 -","2","1","","Braunschweig, Holger; Dewhurst, Rian D.; Schneider, Christoph","Steric Control between Neutral Metal-Only Lewis Pairs and Metal-Stabilized Gallenium and Gallinium Cations","Organometallics","2016","35","7","1002","","10.1021/acs.organomet.6b00045","","","0.71073","MoKα","","0.0528","0.0382","","","0.0913","0.0971","","","","","","0.988","","","","has coordinates,has disorder","237523","2020-10-21","18:00:00",""
"4088378","9.396","0.002","9.9612","0.0016","16.94","0.002","85.736","0.012","85.929","0.017","78.23","0.019","1545.3","0.5","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C33 H39 Fe N2 O3 P -","- C33 H39 Fe N2 O3 P -","- C66 H78 Fe2 N4 O6 P2 -","2","1","","Braunschweig, Holger; Dewhurst, Rian D.; Schneider, Christoph","Steric Control between Neutral Metal-Only Lewis Pairs and Metal-Stabilized Gallenium and Gallinium Cations","Organometallics","2016","35","7","1002","","10.1021/acs.organomet.6b00045","","","0.71073","MoKα","","0.0649","0.0398","","","0.0769","0.0848","","","","","","1.027","","","","has coordinates","237524","2020-10-21","18:00:00",""
"4088379","11.684","0.002","15.787","0.003","16.292","0.003","101.106","0.008","95.429","0.008","96.512","0.009","2908.9","0.9","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C53 H81 Cl6 Fe Ga2 O3 P2 -","- C53 H81 Cl6 Fe Ga2 O3 P2 -","- C106 H162 Cl12 Fe2 Ga4 O6 P4 -","2","1","","Braunschweig, Holger; Dewhurst, Rian D.; Schneider, Christoph","Steric Control between Neutral Metal-Only Lewis Pairs and Metal-Stabilized Gallenium and Gallinium Cations","Organometallics","2016","35","7","1002","","10.1021/acs.organomet.6b00045","","","0.71073","MoKα","","0.0442","0.0322","","","0.0729","0.0784","","","","","","1.045","","","","has coordinates","237526","2020-10-21","18:00:00",""
"4088380","15.509","0.006","12.27","0.004","19.698","0.005","90","","95.84","0.03","90","","3729","2","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C39 H66 Fe O3 P2 -","- C39 H66 Fe O3 P2 -","- C156 H264 Fe4 O12 P8 -","4","1","","Braunschweig, Holger; Dewhurst, Rian D.; Schneider, Christoph","Steric Control between Neutral Metal-Only Lewis Pairs and Metal-Stabilized Gallenium and Gallinium Cations","Organometallics","2016","35","7","1002","","10.1021/acs.organomet.6b00045","","","0.71073","MoKα","","0.0775","0.04","","","0.0885","0.1089","","","","","","0.981","","","","has coordinates,has disorder","237528","2020-10-21","18:00:00",""
"4088381","11.5838","0.0011","23.941","0.002","18.695","0.0018","90","","93.407","0.002","90","","5175.5","0.8","130","","130","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C52 H68 B Fe N8 -","- C52 H68 B Fe N8 -","- C208 H272 B4 Fe4 N32 -","4","1","","Ouyang, Zhenwu; Meng, Yinshan; Cheng, Jun; Xiao, Jie; Gao, Song; Deng, Liang","Three- and Four-Coordinate Homoleptic Iron(I)‒NHC Complexes: Synthesis and Characterization","Organometallics","2016","35","10","1361","","10.1021/acs.organomet.6b00047","","","0.71073","MoKα","","0.1328","0.0603","","","0.1168","0.1326","","","","","","0.9","","","","has coordinates","237530","2020-10-21","18:00:00",""
"4088382","12.036","0.002","12.076","0.002","19.667","0.004","98.12","0.003","97.916","0.003","90.19","0.003","2802.2","0.9","140","2","140.15","","","","","","","","","5","P -1","-P 1","2","","","","- C60 H84 B Fe N8 -","- C60 H84 B Fe N8 -","- C120 H168 B2 Fe2 N16 -","2","1","","Ouyang, Zhenwu; Meng, Yinshan; Cheng, Jun; Xiao, Jie; Gao, Song; Deng, Liang","Three- and Four-Coordinate Homoleptic Iron(I)‒NHC Complexes: Synthesis and Characterization","Organometallics","2016","35","10","1361","","10.1021/acs.organomet.6b00047","","","0.71073","MoKα","","0.101","0.078","","","0.2124","0.2278","","","","","","1.081","","","","has coordinates","237530","2020-10-21","18:00:00",""
"4088383","18.9139","0.0009","19.6493","0.001","19.2426","0.001","90","","116.104","0.001","90","","6421.9","0.6","140","2","140","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C68 H100 B Fe N8 -","- C68 H100 B Fe N8 -","- C272 H400 B4 Fe4 N32 -","4","1","","Ouyang, Zhenwu; Meng, Yinshan; Cheng, Jun; Xiao, Jie; Gao, Song; Deng, Liang","Three- and Four-Coordinate Homoleptic Iron(I)‒NHC Complexes: Synthesis and Characterization","Organometallics","2016","35","10","1361","","10.1021/acs.organomet.6b00047","","","0.71073","MoKα","","0.112","0.0576","","","0.1218","0.156","","","","","","1.05","","","","has coordinates","237530","2020-10-21","18:00:00",""
"4088384","13.4567","0.0008","18.2217","0.0011","21.8734","0.0012","90","","90.382","0.001","90","","5363.3","0.5","140","2","140","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C57 H80 B Cl Fe N6 -","- C57 H80 B Cl Fe N6 -","- C228 H320 B4 Cl4 Fe4 N24 -","4","1","","Ouyang, Zhenwu; Meng, Yinshan; Cheng, Jun; Xiao, Jie; Gao, Song; Deng, Liang","Three- and Four-Coordinate Homoleptic Iron(I)‒NHC Complexes: Synthesis and Characterization","Organometallics","2016","35","10","1361","","10.1021/acs.organomet.6b00047","","","0.71073","MoKα","","0.0863","0.047","","","0.1072","0.1244","","","","","","1.008","","","","has coordinates","237530","2020-10-21","18:00:00",""
"4088385","10.1175","0.0009","15.8118","0.0014","17.1337","0.0016","90","","105.032","0.002","90","","2647.2","0.4","130","","130","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C57 H80 B Fe N6 -","- C57 H80 B Fe N6 -","- C114 H160 B2 Fe2 N12 -","2","1","","Ouyang, Zhenwu; Meng, Yinshan; Cheng, Jun; Xiao, Jie; Gao, Song; Deng, Liang","Three- and Four-Coordinate Homoleptic Iron(I)‒NHC Complexes: Synthesis and Characterization","Organometallics","2016","35","10","1361","","10.1021/acs.organomet.6b00047","","","0.71073","MoKα","","0.0956","0.0754","","","0.1913","0.2101","","","","","","1.036","","","","has coordinates","237530","2020-10-21","18:00:00",""
"4088386","9.6463","0.0016","14.732","0.002","25.439","0.004","90","","91.553","0.005","90","","3613.8","1","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C37 H55 Li N3 O P -","- C37 H55 Li N3 O P -","- C148 H220 Li4 N12 O4 P4 -","4","1","","Simler, Thomas; Karmazin, Lydia; Bailly, Corinne; Braunstein, Pierre; Danopoulos, Andreas A.","Potassium and Lithium Complexes with Monodeprotonated, Dearomatized PNP and PNCNHC Pincer-Type Ligands","Organometallics","2016","35","6","903","","10.1021/acs.organomet.6b00048","","","0.71073","MoKα","","0.1968","0.0696","","","0.1203","0.1558","","","","","","0.97","","","","has coordinates","237533","2020-10-21","18:00:00",""
"4088387","8.2117","0.0006","12.9279","0.001","18.0555","0.0015","81.097","0.002","78.611","0.002","76.631","0.002","1816.1","0.2","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C33 H51 Li N3 O P -","- C33 H51 Li N3 O P -","- C66 H102 Li2 N6 O2 P2 -","2","1","","Simler, Thomas; Karmazin, Lydia; Bailly, Corinne; Braunstein, Pierre; Danopoulos, Andreas A.","Potassium and Lithium Complexes with Monodeprotonated, Dearomatized PNP and PNCNHC Pincer-Type Ligands","Organometallics","2016","35","6","903","","10.1021/acs.organomet.6b00048","","","0.71073","MoKα","","0.0932","0.055","","","0.1266","0.1384","","","","","","1.035","","","","has coordinates","237533","2020-10-21","18:00:00",""
"4088388","10","0.003","17.279","0.005","22.758","0.007","90","","101.244","0.007","90","","3857","2","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C31 H62 K N O4 P2 -","- C31 H62 K N O4 P2 -","- C124 H248 K4 N4 O16 P8 -","4","1","","Simler, Thomas; Karmazin, Lydia; Bailly, Corinne; Braunstein, Pierre; Danopoulos, Andreas A.","Potassium and Lithium Complexes with Monodeprotonated, Dearomatized PNP and PNCNHC Pincer-Type Ligands","Organometallics","2016","35","6","903","","10.1021/acs.organomet.6b00048","","","0.71073","MoKα","","0.0947","0.0596","","","0.1472","0.1708","","","","","","1.039","","","","has coordinates","237533","2020-10-21","18:00:00",""
"4088389","20.724","0.0015","11.7681","0.0009","16.9975","0.0012","90","","113.269","0.002","90","","3808.2","0.5","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C37 H61 Li N3 O2 P -","- C37 H61 Li N3 O2 P -","- C148 H244 Li4 N12 O8 P4 -","4","1","","Simler, Thomas; Karmazin, Lydia; Bailly, Corinne; Braunstein, Pierre; Danopoulos, Andreas A.","Potassium and Lithium Complexes with Monodeprotonated, Dearomatized PNP and PNCNHC Pincer-Type Ligands","Organometallics","2016","35","6","903","","10.1021/acs.organomet.6b00048","","","0.71073","MoKα","","0.119","0.0672","","","0.1535","0.1794","","","","","","1.021","","","","has coordinates","237533","2020-10-21","18:00:00",""
"4088390","14.232","0.003","24.476","0.005","20.231","0.005","90","","90","","90","","7047","3","173","2","173","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C54 H100 K2 N2 O2 P4 -","- C54 H100 K2 N2 O2 P4 -","- C216 H400 K8 N8 O8 P16 -","4","0.5","","Simler, Thomas; Karmazin, Lydia; Bailly, Corinne; Braunstein, Pierre; Danopoulos, Andreas A.","Potassium and Lithium Complexes with Monodeprotonated, Dearomatized PNP and PNCNHC Pincer-Type Ligands","Organometallics","2016","35","6","903","","10.1021/acs.organomet.6b00048","","","0.71073","MoKα","","0.1369","0.1045","","","0.2888","0.3055","","","","","","1.053","","","","has coordinates,has disorder","237533","2020-10-21","18:00:00",""
"4088391","9.8998","0.0008","12.2393","0.0009","21.0855","0.0016","90","","90","","90","","2554.9","0.3","296","2","296","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C19 H40 B9 N2 O Ta -","- C19 H25 B9 N2 O Ta -","- C76 H100 B36 N8 O4 Ta4 -","4","1","","Xiang, Li; Xie, Zuowei","Reaction of [η1:η5-(R2NCH2CH2)C2B9H10]TaMe3 with Isonitriles: Effects of Nitrogen Substituents on Product Formation","Organometallics","2016","35","10","1430","","10.1021/acs.organomet.6b00053","","","0.71073","MoKα","","0.0484","0.0469","","","0.1183","0.1198","","","","","","1.027","","","","has coordinates,has disorder","237539","2020-10-21","18:00:00",""
"4088392","8.7882","0.0006","9.7167","0.0007","14.6889","0.0011","78.685","0.001","75.511","0.001","69.628","0.001","1130.21","0.14","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C15.5 H37 B9 N Ta -","- C15.5 H36.5 B9 N Ta -","- C31 H73 B18 N2 Ta2 -","2","1","","Xiang, Li; Xie, Zuowei","Reaction of [η1:η5-(R2NCH2CH2)C2B9H10]TaMe3 with Isonitriles: Effects of Nitrogen Substituents on Product Formation","Organometallics","2016","35","10","1430","","10.1021/acs.organomet.6b00053","","","0.71073","MoKα","","0.021","0.0178","","","0.0488","0.0595","","","","","","1.196","","","","has coordinates","237539","2020-10-21","18:00:00",""
"4088393","20.753","0.003","10.2357","0.0016","17.33","0.003","90","","109.071","0.002","90","","3479.2","1","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C26 H53 B9 N2 O Ta -","- C26 H53 B9 N2 O Ta -","- C104 H212 B36 N8 O4 Ta4 -","4","1","","Xiang, Li; Xie, Zuowei","Reaction of [η1:η5-(R2NCH2CH2)C2B9H10]TaMe3 with Isonitriles: Effects of Nitrogen Substituents on Product Formation","Organometallics","2016","35","10","1430","","10.1021/acs.organomet.6b00053","","","0.71073","MoKα","","0.1071","0.0557","","","0.1247","0.1391","","","","","","0.908","","","","has coordinates,has disorder","237539","2020-10-21","18:00:00",""
"4088394","10.5396","0.0013","15.734","0.0019","19.471","0.003","90","","103.667","0.002","90","","3137.5","0.7","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C25 H49 B9 N3 Ta -","- C25 H49 B9 N3 Ta -","- C100 H196 B36 N12 Ta4 -","4","1","","Xiang, Li; Xie, Zuowei","Reaction of [η1:η5-(R2NCH2CH2)C2B9H10]TaMe3 with Isonitriles: Effects of Nitrogen Substituents on Product Formation","Organometallics","2016","35","10","1430","","10.1021/acs.organomet.6b00053","","","0.71073","MoKα","","0.0642","0.0591","","","0.1545","0.1614","","","","","","1.021","","","","has coordinates","237539","2020-10-21","18:00:00",""
"4088395","10.7135","0.0014","18.946","0.002","16.316","0.002","90","","102.211","0.003","90","","3236.9","0.7","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C27 H55 B9 N3 Ta -","- C27 H55 B9 N3 Ta -","- C108 H220 B36 N12 Ta4 -","4","1","","Xiang, Li; Xie, Zuowei","Reaction of [η1:η5-(R2NCH2CH2)C2B9H10]TaMe3 with Isonitriles: Effects of Nitrogen Substituents on Product Formation","Organometallics","2016","35","10","1430","","10.1021/acs.organomet.6b00053","","","0.71073","MoKα","","0.064","0.0548","","","0.1409","0.1526","","","","","","1.033","","","","has coordinates","237539","2020-10-21","18:00:00",""
"4088396","9.5715","0.0006","10.5999","0.0007","20.7451","0.0014","76.32","0.001","87.235","0.001","81.989","0.001","2024.8","0.2","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C34 H58 B9 N4 Ta -","- C34 H58 B9 N4 Ta -","- C68 H116 B18 N8 Ta2 -","2","1","","Xiang, Li; Xie, Zuowei","Reaction of [η1:η5-(R2NCH2CH2)C2B9H10]TaMe3 with Isonitriles: Effects of Nitrogen Substituents on Product Formation","Organometallics","2016","35","10","1430","","10.1021/acs.organomet.6b00053","","","0.71073","MoKα","","0.0676","0.0647","","","0.1617","0.1646","","","","","","1.027","","","","has coordinates","237539","2020-10-21","18:00:00",""
"4088397","21.0107","0.0015","11.5635","0.0009","21.3418","0.0016","90","","109.125","0.002","90","","4899","0.6","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C42 H70 B9 N4 O Ta -","- C42 H70 B9 N4 O Ta -","- C168 H280 B36 N16 O4 Ta4 -","4","1","","Xiang, Li; Xie, Zuowei","Reaction of [η1:η5-(R2NCH2CH2)C2B9H10]TaMe3 with Isonitriles: Effects of Nitrogen Substituents on Product Formation","Organometallics","2016","35","10","1430","","10.1021/acs.organomet.6b00053","","","0.71073","MoKα","","0.0711","0.0649","","","0.1663","0.1741","","","","","","1.001","","","","has coordinates","237539","2020-10-21","18:00:00",""
"4088398","10.7718","0.0006","11.4195","0.0007","12.8909","0.0007","78.912","0.001","83.025","0.001","71.449","0.001","1472.14","0.15","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H45 B9 N3 Ta -","- C22 H45 B9 N3 Ta -","- C44 H90 B18 N6 Ta2 -","2","1","","Xiang, Li; Xie, Zuowei","Reaction of [η1:η5-(R2NCH2CH2)C2B9H10]TaMe3 with Isonitriles: Effects of Nitrogen Substituents on Product Formation","Organometallics","2016","35","10","1430","","10.1021/acs.organomet.6b00053","","","0.71073","MoKα","","0.0626","0.0612","","","0.1554","0.1581","","","","","","1.039","","","","has coordinates","237539","2020-10-21","18:00:00",""
"4088399","10.2023","0.0005","11.987","0.0006","13.8917","0.0007","90.009","0.001","100.465","0.001","111.292","0.001","1552.53","0.13","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C25 H49 B9 N3 Ta -","- C25 H49 B9 N3 Ta -","- C50 H98 B18 N6 Ta2 -","2","1","","Xiang, Li; Xie, Zuowei","Reaction of [η1:η5-(R2NCH2CH2)C2B9H10]TaMe3 with Isonitriles: Effects of Nitrogen Substituents on Product Formation","Organometallics","2016","35","10","1430","","10.1021/acs.organomet.6b00053","","","0.71073","MoKα","","0.066","0.0558","","","0.1502","0.1673","","","","","","1.019","","","","has coordinates","237539","2020-10-21","18:00:00",""
"4088400","16.705","0.003","16.794","0.003","18.748","0.004","86.637","0.004","66.457","0.004","68.899","0.004","4476.2","1.5","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C84 H77.5 K N12 Ni4 O25.5 S4 -","- C84 H77.5 K N12 Ni4 O25.5 S4 -","- C168 H155 K2 N24 Ni8 O51 S8 -","2","1","","Hoover, Andrew J.; Lazari, Mark; Ren, Hong; Narayanam, Maruthi Kumar; Murphy, Jennifer M.; van Dam, R. Michael; Hooker, Jacob M.; Ritter, Tobias","A Transmetalation Reaction Enables the Synthesis of [<sup>18</sup>F]5-Fluorouracil from [<sup>18</sup>F]Fluoride for Human PET Imaging.","Organometallics","2016","35","7","1008","1014","10.1021/acs.organomet.6b00059","","","0.71073","MoKα","","0.1557","0.0742","","","0.1666","0.1811","","","","","","0.848","","","","has coordinates,has disorder","237542","2020-10-21","18:00:00",""
"4088401","37.9478","0.0015","9.6576","0.0004","20.4981","0.0008","90","","95.0533","0.0013","90","","7483","0.5","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C39 H41 N7 Ni O6 S -","- C39 H41 N7 Ni O6 S -","- C312 H328 N56 Ni8 O48 S8 -","8","1","","Hoover, Andrew J.; Lazari, Mark; Ren, Hong; Narayanam, Maruthi Kumar; Murphy, Jennifer M.; van Dam, R. Michael; Hooker, Jacob M.; Ritter, Tobias","A Transmetalation Reaction Enables the Synthesis of [<sup>18</sup>F]5-Fluorouracil from [<sup>18</sup>F]Fluoride for Human PET Imaging.","Organometallics","2016","35","7","1008","1014","10.1021/acs.organomet.6b00059","","","0.71073","MoKα","","0.0869","0.0554","","","0.1066","0.1191","","","","","","1.031","","","","has coordinates,has disorder","237544","2020-10-21","18:00:00",""
"4088402","9.134","0.002","9.293","0.002","12.052","0.003","103.787","0.005","98.329","0.005","112.385","0.005","886.5","0.4","100","1","100","1","","","","","","","","7","P -1","-P 1","2","","","","- C35 H26 Cl2 N8 Ni O8 S2 -","- C35 H26 Cl2 N6 Ni O8 S2 -","- C35 H26 Cl2 N6 Ni O8 S2 -","1","0.5","","Hoover, Andrew J.; Lazari, Mark; Ren, Hong; Narayanam, Maruthi Kumar; Murphy, Jennifer M.; van Dam, R. Michael; Hooker, Jacob M.; Ritter, Tobias","A Transmetalation Reaction Enables the Synthesis of [<sup>18</sup>F]5-Fluorouracil from [<sup>18</sup>F]Fluoride for Human PET Imaging.","Organometallics","2016","35","7","1008","1014","10.1021/acs.organomet.6b00059","","","0.71073","MoKα","","0.061","0.0448","","","0.1216","0.1385","","","","","","1.081","","","","has coordinates,has disorder","237546","2020-10-21","18:00:00",""
"4088403","14.081","0.001","11.9795","0.0011","15.955","0.0014","90","","90.047","0.007","90","","2691.3","0.4","123","2","123","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(Z)-N-(1-(((E)-2,2-dimethyl-1-(phenylimino)propyl)(phenyl)phosphino)- 2,2-dimethylpropylidene)-2,4,6-trimethylaniline","","- C31 H39 N2 P -","- C31 H39 N2 P -","- C124 H156 N8 P4 -","4","1","","van Dijk, Tom; Rong, Mark K.; Borger, Jaap E.; Nieger, Martin; Slootweg, J. Chris; Lammertsma, Koop","Bis(imino)phosphanes: Synthesis and Coordination Chemistry","Organometallics","2016","35","5","827","","10.1021/acs.organomet.6b00063","","","0.71073","MoKα","","0.0498","0.0371","","","0.0864","0.0942","","","","","","1.05","","","","has coordinates","237548","2020-10-21","18:00:00",""
"4088404","10.428","0.001","11.901","0.001","14.709","0.001","86.78","0.01","87","0.01","87","0.01","1817.8","0.3","123","2","123","2","","","","","","","","6","P -1","-P 1","2","","","","- C37 H51 Cl3 N P Rh2 -","- C37 H51 Cl3 N P Rh2 -","- C74 H102 Cl6 N2 P2 Rh4 -","2","1","","van Dijk, Tom; Rong, Mark K.; Borger, Jaap E.; Nieger, Martin; Slootweg, J. Chris; Lammertsma, Koop","Bis(imino)phosphanes: Synthesis and Coordination Chemistry","Organometallics","2016","35","5","827","","10.1021/acs.organomet.6b00063","","","0.71073","MoKα","","0.0295","0.0238","","","0.0555","0.0579","","","","","","1.077","","","","has coordinates","237548","2020-10-21","18:00:00",""
"4088405","9.6051","0.0002","8.1176","0.0002","29.378","0.0007","90","","94.962","0.001","90","","2282.03","0.09","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C20 H28 B2 Br Fe N8 -","- C20 H28 B2 Br Fe N8 -","- C80 H112 B8 Br4 Fe4 N32 -","4","1","","Chandrachud, Preeti P.; Bass, Heather M.; Jenkins, David M.","Synthesis of Fully Aliphatic Aziridines with a Macrocyclic Tetracarbene Iron Catalyst","Organometallics","2016","35","11","1652","","10.1021/acs.organomet.6b00066","","","0.71073","MoKα","","0.042","0.0315","","","0.0757","0.08","","","","","","1.03","","","","has coordinates","237549","2020-10-21","18:00:00",""
"4088406","34.159","0.003","8.1549","0.0007","22.564","0.002","90","","123.356","0.001","90","","5250.1","0.8","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C26 H34 B2 Fe N8 -","- C26 H34 B2 Fe N8 -","- C208 H272 B16 Fe8 N64 -","8","1","","Chandrachud, Preeti P.; Bass, Heather M.; Jenkins, David M.","Synthesis of Fully Aliphatic Aziridines with a Macrocyclic Tetracarbene Iron Catalyst","Organometallics","2016","35","11","1652","","10.1021/acs.organomet.6b00066","","","0.71073","MoKα","","0.0749","0.0605","","","0.1643","0.1785","","","","","","1.004","","","","has coordinates","237549","2020-10-21","18:00:00",""
"4088407","10.7434","0.0013","11.8704","0.0015","25.984","0.003","90","","93.189","0.004","90","","3308.6","0.7","173","2","173.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H18 Ni3 S4 -","- C14 H18 Ni3 S4 -","- C112 H144 Ni24 S32 -","8","2","","Chambers, Geoffrey M.; Rauchfuss, Thomas B.; Arrigoni, Federica; Zampella, Giuseppe","Effect of Pyramidalization of the M2(SR)2Center: The Case of (C5H5)2Ni2(SR)2","Organometallics","2016","35","5","836","","10.1021/acs.organomet.6b00068","","","0.71073","MoKα","","0.0256","0.0205","","","0.0458","0.0477","","","","","","1.041","","","","has coordinates,has disorder","237551","2020-10-21","18:00:00",""
"4088408","10.149","0.005","12.274","0.006","12.417","0.006","110.675","0.006","97.652","0.007","103.3","0.006","1368.7","1.2","181","2","181.15","","","","","","","","","4","P -1","-P 1","2","","","","- C26 H32 Ni4 S4 -","- C26 H32 Ni4 S4 -","- C52 H64 Ni8 S8 -","2","1","","Chambers, Geoffrey M.; Rauchfuss, Thomas B.; Arrigoni, Federica; Zampella, Giuseppe","Effect of Pyramidalization of the M2(SR)2Center: The Case of (C5H5)2Ni2(SR)2","Organometallics","2016","35","5","836","","10.1021/acs.organomet.6b00068","","","0.71073","MoKα","","0.102","0.0447","","","0.085","0.0978","","","","","","0.987","","","","has coordinates,has disorder","237551","2020-10-21","18:00:00",""
"4088409","13.3769","0.0004","13.3769","0.0004","25.1645","0.0009","90","","90","","90","","4503","0.2","100","2","99.99","","","","","","","","","4","I -4 2 d","I -4 2bw","122","","","","- C16 H22 Ni3 S4 -","- C16 H22 Ni3 S4 -","- C128 H176 Ni24 S32 -","8","0.5","","Chambers, Geoffrey M.; Rauchfuss, Thomas B.; Arrigoni, Federica; Zampella, Giuseppe","Effect of Pyramidalization of the M2(SR)2Center: The Case of (C5H5)2Ni2(SR)2","Organometallics","2016","35","5","836","","10.1021/acs.organomet.6b00068","","","0.71073","MoKα","","0.0309","0.0249","","","0.0571","0.0592","","","","","","1.056","","","","has coordinates","237551","2020-10-21","18:00:00",""
"4088410","7.7348","0.0001","15.8097","0.0003","17.5647","0.0003","90","","90","","90","","2147.9","0.06","173.15","","173.15","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C22 H18 Ni3 S4 -","- C22 H18 Ni3 S4 -","- C88 H72 Ni12 S16 -","4","1","","Chambers, Geoffrey M.; Rauchfuss, Thomas B.; Arrigoni, Federica; Zampella, Giuseppe","Effect of Pyramidalization of the M2(SR)2Center: The Case of (C5H5)2Ni2(SR)2","Organometallics","2016","35","5","836","","10.1021/acs.organomet.6b00068","","","0.71073","MoKα","","0.0414","0.0312","","","0.0462","0.0486","","","","","","0.875","","","","has coordinates,has disorder","237551","2020-10-21","18:00:00",""
"4088411","5.6021","0.0016","19.865","0.006","8.345","0.002","90","","90.321","0.003","90","","928.7","0.4","183","2","183","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C16 H22 Ni3 S4 -","- C16 H22 Ni3 S4 -","- C32 H44 Ni6 S8 -","2","0.5","","Chambers, Geoffrey M.; Rauchfuss, Thomas B.; Arrigoni, Federica; Zampella, Giuseppe","Effect of Pyramidalization of the M2(SR)2Center: The Case of (C5H5)2Ni2(SR)2","Organometallics","2016","35","5","836","","10.1021/acs.organomet.6b00068","","","0.71073","MoKα","","0.0202","0.0177","","","0.0446","0.046","","","","","","1.031","","","","has coordinates","237551","2020-10-21","18:00:00",""
"4088412","12.854","0.003","10.221","0.003","11.434","0.003","90","","90","","90","","1502.2","0.7","183.15","","183.15","","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C12 H14 B F4 Ni2 S2 -","- C12 H14 B F4 Ni2 S2 -","- C48 H56 B4 F16 Ni8 S8 -","4","0.5","","Chambers, Geoffrey M.; Rauchfuss, Thomas B.; Arrigoni, Federica; Zampella, Giuseppe","Effect of Pyramidalization of the M2(SR)2Center: The Case of (C5H5)2Ni2(SR)2","Organometallics","2016","35","5","836","","10.1021/acs.organomet.6b00068","","","0.71073","MoKα","","0.0308","0.0258","","","0.0653","0.0677","","","","","","1.067","","","","has coordinates","237551","2020-10-21","18:00:00",""
"4088413","13.5362","0.0005","10.0545","0.0004","11.4337","0.0005","90","","90","","90","","1556.12","0.11","100","2","100","","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C13 H16 B F4 Ni2 S2 -","- C13 H16 B F4 Ni2 S2 -","- C52 H64 B4 F16 Ni8 S8 -","4","0.5","","Chambers, Geoffrey M.; Rauchfuss, Thomas B.; Arrigoni, Federica; Zampella, Giuseppe","Effect of Pyramidalization of the M2(SR)2Center: The Case of (C5H5)2Ni2(SR)2","Organometallics","2016","35","5","836","","10.1021/acs.organomet.6b00068","","","0.71073","MoKα","","0.0252","0.0213","","","0.0489","0.0508","","","","","","1.1","","","","has coordinates,has disorder","237551","2020-10-21","18:00:00",""
"4088414","19.9835","0.001","10.0573","0.0005","18.4519","0.0008","90","","108.539","0.0016","90","","3516","0.3","102","2","102.28","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H37 Cl3 Ni6 S12 -","- C19 H37 Cl3 Ni6 S12 -","- C76 H148 Cl12 Ni24 S48 -","4","1","","Chambers, Geoffrey M.; Rauchfuss, Thomas B.; Arrigoni, Federica; Zampella, Giuseppe","Effect of Pyramidalization of the M2(SR)2Center: The Case of (C5H5)2Ni2(SR)2","Organometallics","2016","35","5","836","","10.1021/acs.organomet.6b00068","","","0.71073","MoKα","","0.0312","0.018","","","0.031","0.0328","","","","","","0.962","","","","has coordinates","237551","2020-10-21","18:00:00",""
"4088415","19.2286","0.0012","11.7426","0.0007","17.1158","0.0011","90","","116.253","0.0019","90","","3466","0.4","100","2","100.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C14 H20 B F4 Ni2 S2 -","- C14 H20 B F4 Ni2 S2 -","- C112 H160 B8 F32 Ni16 S16 -","8","2","","Chambers, Geoffrey M.; Rauchfuss, Thomas B.; Arrigoni, Federica; Zampella, Giuseppe","Effect of Pyramidalization of the M2(SR)2Center: The Case of (C5H5)2Ni2(SR)2","Organometallics","2016","35","5","836","","10.1021/acs.organomet.6b00068","","","0.71073","MoKα","","0.0461","0.028","","","0.0529","0.0577","","","","","","1.03","","","","has coordinates","237551","2020-10-21","18:00:00",""
"4088416","11.7655","0.0006","7.7431","0.0004","14.3399","0.0007","90","","107.707","0.002","90","","1244.49","0.11","100","2","100.02","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H26 Ni5 S8 -","- C18 H26 Ni5 S8 -","- C36 H52 Ni10 S16 -","2","0.5","","Chambers, Geoffrey M.; Rauchfuss, Thomas B.; Arrigoni, Federica; Zampella, Giuseppe","Effect of Pyramidalization of the M2(SR)2Center: The Case of (C5H5)2Ni2(SR)2","Organometallics","2016","35","5","836","","10.1021/acs.organomet.6b00068","","","0.71073","MoKα","","0.0413","0.0322","","","0.0645","0.0671","","","","","","1.224","","","","has coordinates","237551","2020-10-21","18:00:00",""
"4088417","13.3664","0.0005","12.7847","0.0005","14.7048","0.0006","90","","102.97","0.0019","90","","2448.73","0.17","103","2","103.51","","","","","","","","","7","P 1 21/a 1","-P 2yab","14","","","","- C17 H24 B Cl2 F4 Ni3 S4 -","- C17 H24 B Cl2 F4 Ni3 S4 -","- C68 H96 B4 Cl8 F16 Ni12 S16 -","4","1","","Chambers, Geoffrey M.; Rauchfuss, Thomas B.; Arrigoni, Federica; Zampella, Giuseppe","Effect of Pyramidalization of the M2(SR)2Center: The Case of (C5H5)2Ni2(SR)2","Organometallics","2016","35","5","836","","10.1021/acs.organomet.6b00068","","","0.71073","MoKα","","0.0401","0.0305","","","0.0728","0.0763","","","","","","1.114","","","","has coordinates,has disorder","237551","2020-10-21","18:00:00",""
"4088418","8.106","0.002","9.644","0.003","10.354","0.003","88.053","0.011","69.956","0.009","88.644","0.01","759.9","0.4","102","2","102.28","","","","","","","","","4","P -1","-P 1","2","","","","- C14 H20 Ni2 S2 -","- C14 H20 Ni2 S2 -","- C28 H40 Ni4 S4 -","2","1","","Chambers, Geoffrey M.; Rauchfuss, Thomas B.; Arrigoni, Federica; Zampella, Giuseppe","Effect of Pyramidalization of the M2(SR)2Center: The Case of (C5H5)2Ni2(SR)2","Organometallics","2016","35","5","836","","10.1021/acs.organomet.6b00068","","","0.71073","MoKα","","0.0383","0.0322","","","0.0688","0.0734","","","","","","1.133","","","","has coordinates,has disorder","237551","2020-10-21","18:00:00",""
"4088419","9.231","0.0013","13.687","0.002","17.612","0.003","90","","90","","90","","2225.2","0.6","298","2","298","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C24 H23 Cu Fe I N O -","- C24 H23 Cu Fe I N O -","- C96 H92 Cu4 Fe4 I4 N4 O4 -","4","1","","Deb, Mayukh; Kumar, Dheeraj; Singh, Jatinder; Elias, Anil J.","Unprecedented Formation of π-Copper Complexes during Sonogashira Coupling: Synthesis of a Unique, Recyclable, Ethynyl Ferrocene Derived Cu(I) Specific Ligand","Organometallics","2016","35","8","1086","","10.1021/acs.organomet.6b00069","","","0.71073","MoKα","","0.0567","0.0536","","","0.1121","0.1135","","","","","","1.293","","","","has coordinates","237553","2020-10-21","18:00:00",""
"4088420","8.846","0.003","11.295","0.004","12.422","0.004","72.46","0.007","73.915","0.006","70.961","0.007","1096.5","0.6","298","2","298","2","","","","","","","","7","P 1","P 1","1","","","","- C47.72 H46 Br2 Cu2 Fe2 N2 O2 -","- C47.72 H46 Br2 Cu2 Fe2 N2 O2 -","- C47.72 H46 Br2 Cu2 Fe2 N2 O2 -","1","1","","Deb, Mayukh; Kumar, Dheeraj; Singh, Jatinder; Elias, Anil J.","Unprecedented Formation of π-Copper Complexes during Sonogashira Coupling: Synthesis of a Unique, Recyclable, Ethynyl Ferrocene Derived Cu(I) Specific Ligand","Organometallics","2016","35","8","1086","","10.1021/acs.organomet.6b00069","","","0.71073","MoKα","","0.107","0.0614","","","0.1177","0.1356","","","","","","0.96","","","","has coordinates","237553","2020-10-21","18:00:00",""
"4088421","9.5006","0.0012","13.0647","0.0016","19.113","0.002","90","","90","","90","","2372.4","0.5","298","2","298","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C27 H21 Cu Fe I N O -","- C27 H21 Cu Fe I N O -","- C108 H84 Cu4 Fe4 I4 N4 O4 -","4","1","","Deb, Mayukh; Kumar, Dheeraj; Singh, Jatinder; Elias, Anil J.","Unprecedented Formation of π-Copper Complexes during Sonogashira Coupling: Synthesis of a Unique, Recyclable, Ethynyl Ferrocene Derived Cu(I) Specific Ligand","Organometallics","2016","35","8","1086","","10.1021/acs.organomet.6b00069","","","0.71073","MoKα","","0.0637","0.0554","","","0.1094","0.1125","","","","","","1.198","","","","has coordinates","237553","2020-10-21","18:00:00",""
"4088422","8.5051","0.0003","10.0519","0.0004","13.1631","0.0005","88.11","0.001","88.364","0.001","88.211","0.001","1123.76","0.07","123","2","123","2","","","","","","","","4","P -1","-P 1","2","","","","- C24 H38 O Ru2 -","- C23.9994 H30 O0.9998 Ru2 -","- C47.9988 H60 O1.9996 Ru4 -","2","1","","Shimogawa, Ryuichi; Konishi, Gen-ichi; Takao, Toshiro; Suzuki, Hiroharu","Photoinduced Reactions of Diruthenium Tetrahydride Complexes: Carbon‒Hydrogen Bond Cleavage of Tetrahydrofuran Leading to Bridging Cyclic Fischer-Type Carbene Complexes","Organometallics","2016","35","10","1446","","10.1021/acs.organomet.6b00070","","","0.71069","MoKα","","0.0339","0.0269","","","0.0619","0.0653","","","","","","1.051","","","","has coordinates,has disorder","237556","2020-10-21","18:00:00",""
"4088423","8.5163","0.0008","11.2111","0.0011","13.221","0.0013","88.343","0.002","87.845","0.003","85.305","0.003","1256.8","0.2","123","2","123","2","","","","","","","","4","P -1","-P 1","2","","","","- C26 H42 O Ru2 -","- C26.003 H23 O1.001 Ru2 -","- C52.006 H46 O2.002 Ru4 -","2","1","","Shimogawa, Ryuichi; Konishi, Gen-ichi; Takao, Toshiro; Suzuki, Hiroharu","Photoinduced Reactions of Diruthenium Tetrahydride Complexes: Carbon‒Hydrogen Bond Cleavage of Tetrahydrofuran Leading to Bridging Cyclic Fischer-Type Carbene Complexes","Organometallics","2016","35","10","1446","","10.1021/acs.organomet.6b00070","","","0.71069","MoKα","","0.059","0.0527","","","0.1325","0.1387","","","","","","1.053","","","","has coordinates","237556","2020-10-21","18:00:00",""
"4088424","10.2806","0.0006","11.8219","0.0007","15.4868","0.001","90","","103.059","0.002","90","","1833.53","0.19","298","2","298","2","","","","","","","","4","P 1 n 1","P -2yac","7","","","","- C38 H66 O Ru2 -","- C38 H42 O Ru2 -","- C76 H84 O2 Ru4 -","2","1","","Shimogawa, Ryuichi; Konishi, Gen-ichi; Takao, Toshiro; Suzuki, Hiroharu","Photoinduced Reactions of Diruthenium Tetrahydride Complexes: Carbon‒Hydrogen Bond Cleavage of Tetrahydrofuran Leading to Bridging Cyclic Fischer-Type Carbene Complexes","Organometallics","2016","35","10","1446","","10.1021/acs.organomet.6b00070","","","0.71069","MoKα","","0.0283","0.0275","","","0.0703","0.0711","","","","","","1.044","","","","has coordinates,has disorder","237556","2020-10-21","18:00:00",""
"4088425","11.273","0.002","12.396","0.002","12.556","0.002","85.37","0.003","80.494","0.004","80.253","0.003","1703","0.5","123","2","123","2","","","","","","","","5","P -1","-P 1","2","","","","- C34 H54 N2 O Ru2 -","- C34 H54 N2 O Ru2 -","- C68 H108 N4 O2 Ru4 -","2","1","","Shimogawa, Ryuichi; Konishi, Gen-ichi; Takao, Toshiro; Suzuki, Hiroharu","Photoinduced Reactions of Diruthenium Tetrahydride Complexes: Carbon‒Hydrogen Bond Cleavage of Tetrahydrofuran Leading to Bridging Cyclic Fischer-Type Carbene Complexes","Organometallics","2016","35","10","1446","","10.1021/acs.organomet.6b00070","","","0.71069","MoKα","","0.0327","0.0309","","","0.0789","0.0803","","","","","","1.026","","","","has coordinates","237556","2020-10-21","18:00:00",""
"4088426","13.2186","0.0004","17.8772","0.0005","14.3598","0.0004","90","","97.279","0.001","90","","3366.04","0.17","123","2","123","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C34 H54 N2 O Ru2 -","- C34 H54 N2 O Ru2 -","- C136 H216 N8 O4 Ru8 -","4","1","","Shimogawa, Ryuichi; Konishi, Gen-ichi; Takao, Toshiro; Suzuki, Hiroharu","Photoinduced Reactions of Diruthenium Tetrahydride Complexes: Carbon‒Hydrogen Bond Cleavage of Tetrahydrofuran Leading to Bridging Cyclic Fischer-Type Carbene Complexes","Organometallics","2016","35","10","1446","","10.1021/acs.organomet.6b00070","","","0.71069","MoKα","","0.0294","0.0242","","","0.059","0.0616","","","","","","1.013","","","","has coordinates","237556","2020-10-21","18:00:00",""
"4088427","8.5953","0.0003","20.2385","0.0006","14.6209","0.0006","90","","99.549","0.001","90","","2508.15","0.15","143","2","143","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C26 H36 O3 Ru2 -","- C26 H36 O3 Ru2 -","- C104 H144 O12 Ru8 -","4","1","","Shimogawa, Ryuichi; Konishi, Gen-ichi; Takao, Toshiro; Suzuki, Hiroharu","Photoinduced Reactions of Diruthenium Tetrahydride Complexes: Carbon‒Hydrogen Bond Cleavage of Tetrahydrofuran Leading to Bridging Cyclic Fischer-Type Carbene Complexes","Organometallics","2016","35","10","1446","","10.1021/acs.organomet.6b00070","","","0.71069","MoKα","","0.0238","0.0203","","","0.0456","0.0469","","","","","","1.052","","","","has coordinates","237556","2020-10-21","18:00:00",""
"4088428","19.5372","0.0005","9.2054","0.0003","23.5257","0.0006","90","","111.388","0.001","90","","3939.66","0.19","123","2","123","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C40 H64 O3 Ru2 -","- C40 H64 O3 Ru2 -","- C160 H256 O12 Ru8 -","4","1","","Shimogawa, Ryuichi; Konishi, Gen-ichi; Takao, Toshiro; Suzuki, Hiroharu","Photoinduced Reactions of Diruthenium Tetrahydride Complexes: Carbon‒Hydrogen Bond Cleavage of Tetrahydrofuran Leading to Bridging Cyclic Fischer-Type Carbene Complexes","Organometallics","2016","35","10","1446","","10.1021/acs.organomet.6b00070","","","0.71069","MoKα","","0.0352","0.0256","","","0.0547","0.0576","","","","","","1.043","","","","has coordinates","237556","2020-10-21","18:00:00",""
"4088429","9.7464","0.0005","26.0567","0.0011","8.9188","0.0005","90","","111.783","0.006","90","","2103.3","0.2","100.01","0.1","100.01","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C44 H58 Li2 Si4 -","- C44 H58 Li2 Si4 -","- C88 H116 Li4 Si8 -","2","0.5","","Wei, Baosheng; Li, Heng; Zhang, Wen-Xiong; Xi, Zhenfeng","Calcium-Mediated C‒H and C‒F Bond Cleavage: Synthesis of Indenes and Perfluorodibenzopentalenes from 1,4-Dilithio-1,3-butadienes","Organometallics","2016","35","10","1458","","10.1021/acs.organomet.6b00073","","","0.71073","MoKα","","0.0473","0.0393","","","0.0908","0.0957","","","","","","1.052","","","","has coordinates","237559","2020-10-21","18:00:00",""
"4088430","11.0725","0.0012","12.7749","0.0013","18.5797","0.0011","85.577","0.007","88.528","0.007","86.739","0.008","2615.4","0.4","180","0.1","180","0.1","","","","","","","","3","P -1","-P 1","2","","","","- C30 H34 Si2 -","- C30 H34 Si2 -","- C120 H136 Si8 -","4","2","","Wei, Baosheng; Li, Heng; Zhang, Wen-Xiong; Xi, Zhenfeng","Calcium-Mediated C‒H and C‒F Bond Cleavage: Synthesis of Indenes and Perfluorodibenzopentalenes from 1,4-Dilithio-1,3-butadienes","Organometallics","2016","35","10","1458","","10.1021/acs.organomet.6b00073","","","0.71073","MoKα","","0.1996","0.0829","","","0.1547","0.2089","","","","","","0.982","","","","has coordinates","237559","2020-10-21","18:00:00",""
"4088431","18.2642","0.001","17.8075","0.0006","17.0768","0.001","90","","111.885","0.007","90","","5153.8","0.5","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C55.25 H40 B2 Cl0.75 F20 N2 -","- C55.25 H40 B2 Cl0.75 F20 N2 -","- C221 H160 B8 Cl3 F80 N8 -","4","1","","Lin, Ya-Fan; Shen, Chao-Tang; Hsiao, Yu-Ting; Liu, Yi-Hung; Peng, Shie-Ming; Chiu, Ching-Wen","Mechanistic Studies on the Rearrangement of a Boron Cation: From a nido-Carborane to a Planar Boracycle","Organometallics","2016","35","10","1464","","10.1021/acs.organomet.6b00077","","","1.54178","CuKα","","0.1223","0.0787","","","0.2185","0.2509","","","","","","1.173","","","","has coordinates,has disorder","237561","2020-10-21","18:00:00",""
"4088432","15.777","0.002","13.8086","0.0019","17.037","0.002","90","","99.046","0.002","90","","3665.5","0.8","273","2","273","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C27 H37 B10 Co N O4.5 S2 -","- C27 H37 B10 Co N O4.5 S2 -","- C108 H148 B40 Co4 N4 O18 S8 -","4","1","","Dai, Huimin; Liu, Guifeng; Zhang, Xiaolei; Yan, Hong; Lu, Changsheng","Pyrrolylmethyl Functionalized o-Carborane Derivatives","Organometallics","2016","35","10","1488","","10.1021/acs.organomet.6b00082","","","0.71073","MoKα","","0.1278","0.0687","","","0.1588","0.1791","","","","","","1.046","","","","has coordinates,has disorder","237563","2020-10-21","18:00:00",""
"4088433","8.7697","0.0014","13.03","0.002","15.463","0.003","94.746","0.002","103.907","0.002","92.549","0.002","1705.5","0.5","273","2","273","2","","","","","","","","8","P -1","-P 1","2","","","","- C27 H38 B10 Cl0 Co N O4 S2 -","- C27 H38 B10 Co N O4 S2 -","- C54 H76 B20 Co2 N2 O8 S4 -","2","1","","Dai, Huimin; Liu, Guifeng; Zhang, Xiaolei; Yan, Hong; Lu, Changsheng","Pyrrolylmethyl Functionalized o-Carborane Derivatives","Organometallics","2016","35","10","1488","","10.1021/acs.organomet.6b00082","","","0.71073","MoKα","","0.0593","0.0487","","","0.1304","0.1395","","","","","","0.982","","","","has coordinates","237563","2020-10-21","18:00:00",""
"4088434","10.133","0.004","10.719","0.004","16.148","0.006","97.856","0.005","97.291","0.005","97.06","0.005","1705.8","1.1","273","2","273","2","","","","","","","","7","P -1","-P 1","2","","","","- C27 H38 B10 Co N O4 S2 -","- C27 H38 B10 Co N O4 S2 -","- C54 H76 B20 Co2 N2 O8 S4 -","2","1","","Dai, Huimin; Liu, Guifeng; Zhang, Xiaolei; Yan, Hong; Lu, Changsheng","Pyrrolylmethyl Functionalized o-Carborane Derivatives","Organometallics","2016","35","10","1488","","10.1021/acs.organomet.6b00082","","","0.71073","MoKα","","0.079","0.0488","","","0.0938","0.1046","","","","","","0.993","","","","has coordinates,has disorder","237563","2020-10-21","18:00:00",""
"4088435","11.031","0.002","24.665","0.005","13.055","0.003","90","","112.6","0.003","90","","3279.2","1.2","273","2","273","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C24 H35 B10 Co N2 O4 S2 -","- C24 H35 B10 Co N2 O4 S2 -","- C96 H140 B40 Co4 N8 O16 S8 -","4","1","","Dai, Huimin; Liu, Guifeng; Zhang, Xiaolei; Yan, Hong; Lu, Changsheng","Pyrrolylmethyl Functionalized o-Carborane Derivatives","Organometallics","2016","35","10","1488","","10.1021/acs.organomet.6b00082","","","0.71073","MoKα","","0.0803","0.0505","","","0.1354","0.1482","","","","","","1.075","","","","has coordinates,has disorder","237563","2020-10-21","18:00:00",""
"4088436","7.3158","0.0005","12.3742","0.0009","12.4309","0.0009","103.377","0.001","94.162","0.001","97.031","0.001","1080.62","0.13","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C13 H23 B10 Co O4 S2 -","- C13 H23 B10 Co O4 S2 -","- C26 H46 B20 Co2 O8 S4 -","2","1","","Dai, Huimin; Liu, Guifeng; Zhang, Xiaolei; Yan, Hong; Lu, Changsheng","Pyrrolylmethyl Functionalized o-Carborane Derivatives","Organometallics","2016","35","10","1488","","10.1021/acs.organomet.6b00082","","","0.71073","MoKα","","0.0362","0.0296","","","0.0824","0.0864","","","","","","1.061","","","","has coordinates","237563","2020-10-21","18:00:00",""
"4088437","13.121","0.0003","21.365","0.0004","20.9552","0.0004","90","","101.63","0.002","90","","5753.8","0.2","123","2","123","2","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C63 H55 Cl6 O P3 Ru S -","- C63 H55 Cl6 O P3 Ru S -","- C252 H220 Cl24 O4 P12 Ru4 S4 -","4","1","","Zhuo, Qingde; Zhou, Xiaoxi; Kang, Huijun; Chen, Zhiyong; Yang, Yuhui; Han, Feifei; Zhang, Hong; Xia, Haiping","Synthesis of Fused Metallaaromatics via Intramolecular C‒H Activation of Thiophenes","Organometallics","2016","35","10","1497","","10.1021/acs.organomet.6b00083","","","0.71073","MoKα","","0.051","0.0387","","","0.0879","0.1153","","","","","","1.033","","","","has coordinates,has disorder","237566","2020-10-21","18:00:00",""
"4088438","13.178","0.0003","21.3377","0.0003","21.0918","0.0004","90","","102.265","0.002","90","","5795.4","0.2","173","2","173","2","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C62.5 H54 Cl5 O Os P3 S -","- C62.5 H54 Cl5 O Os P3 S -","- C250 H216 Cl20 O4 Os4 P12 S4 -","4","1","","Zhuo, Qingde; Zhou, Xiaoxi; Kang, Huijun; Chen, Zhiyong; Yang, Yuhui; Han, Feifei; Zhang, Hong; Xia, Haiping","Synthesis of Fused Metallaaromatics via Intramolecular C‒H Activation of Thiophenes","Organometallics","2016","35","10","1497","","10.1021/acs.organomet.6b00083","","","0.71073","MoKα","","0.035","0.0311","","","0.0862","0.088","","","","","","1.036","","","","has coordinates,has disorder","237566","2020-10-21","18:00:00",""
"4088439","12.8967","0.0004","13.0323","0.0004","19.73","0.0005","93.119","0.002","103.706","0.002","110.115","0.003","2991.4","0.17","173","0.14","173","0.14","","","","","","","","9","P -1","-P 1","2","","","","- C63 H54 B Cl6 F4 O0 Os P3 S -","- C63 H54 B Cl6 F4 Os P3 S -","- C126 H108 B2 Cl12 F8 Os2 P6 S2 -","2","1","","Zhuo, Qingde; Zhou, Xiaoxi; Kang, Huijun; Chen, Zhiyong; Yang, Yuhui; Han, Feifei; Zhang, Hong; Xia, Haiping","Synthesis of Fused Metallaaromatics via Intramolecular C‒H Activation of Thiophenes","Organometallics","2016","35","10","1497","","10.1021/acs.organomet.6b00083","","","0.71073","MoKα","","0.0442","0.0382","","","0.0842","0.0869","","","","","","1.052","","","","has coordinates","237566","2020-10-21","18:00:00",""
"4088440","10.1114","0.0001","46.8609","0.0003","12.7043","0.0001","90","","92.8","0.001","90","","6012.48","0.09","173","","173","","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C63 H52 B Cl6 F4 Os P3 S -","- C63 H52 B Cl6 F4 Os P3 S -","- C252 H208 B4 Cl24 F16 Os4 P12 S4 -","4","1","","Zhuo, Qingde; Zhou, Xiaoxi; Kang, Huijun; Chen, Zhiyong; Yang, Yuhui; Han, Feifei; Zhang, Hong; Xia, Haiping","Synthesis of Fused Metallaaromatics via Intramolecular C‒H Activation of Thiophenes","Organometallics","2016","35","10","1497","","10.1021/acs.organomet.6b00083","","","1.54178","CuKα","","0.0373","0.0362","","","0.0807","0.0811","","","","","","1.28","","","","has coordinates","237566","2020-10-21","18:00:00",""
"4088441","23.2006","0.0003","15.05392","0.00015","21.1694","0.0002","90","","110.097","0.0015","90","","6943.43","0.15","123","1","123","1","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C45 H46 Ni -","- C45 H46 Ni -","- C360 H368 Ni8 -","8","1","","Chakraborty, Uttam; Urban, Franziska; Mühldorf, Bernd; Rebreyend, Christophe; de Bruin, Bas; van Velzen, Niels; Harder, Sjoerd; Wolf, Robert","Accessing the CpArNi(I) Synthon: Reactions with N-Heterocyclic Carbenes, TEMPO, Sulfur, and Selenium","Organometallics","2016","35","11","1624","","10.1021/acs.organomet.6b00084","","x-ray","1.54184","CuKα","","0.039","0.0335","","","0.0934","0.1023","","","","","","1.076","","","","has coordinates,has disorder","237568","2020-10-21","18:00:00",""
"4088442","12.2418","0.0002","13.841","0.0003","14.1751","0.0003","93.5632","0.0019","113.434","0.002","115.153","0.002","1915.9","0.09","123","1","123","1","","","","","","","","4","P -1","-P 1","2","","","","- C48 H48 Ni Se -","- C48 H48 Ni Se -","- C96 H96 Ni2 Se2 -","2","1","","Chakraborty, Uttam; Urban, Franziska; Mühldorf, Bernd; Rebreyend, Christophe; de Bruin, Bas; van Velzen, Niels; Harder, Sjoerd; Wolf, Robert","Accessing the CpArNi(I) Synthon: Reactions with N-Heterocyclic Carbenes, TEMPO, Sulfur, and Selenium","Organometallics","2016","35","11","1624","","10.1021/acs.organomet.6b00084","","x-ray","1.54184","CuKα","","0.0486","0.0471","","","0.1243","0.1256","","","","","","1.042","","","","has coordinates,has disorder","237570","2020-10-21","18:00:00",""
"4088443","14.2539","0.0005","14.7412","0.0005","26.6743","0.0009","74.778","0.003","88.323","0.003","62.727","0.004","4779.8","0.3","123","1","123","1","","","","","","","","5","P -1","-P 1","2","","","","- C56 H68 N Ni O1.5 -","- C56 H68 N Ni O1.5 -","- C224 H272 N4 Ni4 O6 -","4","2","","Chakraborty, Uttam; Urban, Franziska; Mühldorf, Bernd; Rebreyend, Christophe; de Bruin, Bas; van Velzen, Niels; Harder, Sjoerd; Wolf, Robert","Accessing the CpArNi(I) Synthon: Reactions with N-Heterocyclic Carbenes, TEMPO, Sulfur, and Selenium","Organometallics","2016","35","11","1624","","10.1021/acs.organomet.6b00084","","x-ray","1.54184","CuKα","","0.0487","0.0446","","","0.1203","0.1243","","","","","","1.043","","","","has coordinates,has disorder","237572","2020-10-21","18:00:00",""
"4088444","14.1755","0.0006","14.351","0.0006","22.4716","0.0008","75.613","0.003","87.361","0.003","63.023","0.004","3934.5","0.3","125","2","125","2","","","","","","","","5","P -1","-P 1","2","","","","- C93 H93 D0.5 Ni2 S6 -","- C93 H90 D3 Ni2 S6 -","- C186 H180 D6 Ni4 S12 -","2","1","","Chakraborty, Uttam; Urban, Franziska; Mühldorf, Bernd; Rebreyend, Christophe; de Bruin, Bas; van Velzen, Niels; Harder, Sjoerd; Wolf, Robert","Accessing the CpArNi(I) Synthon: Reactions with N-Heterocyclic Carbenes, TEMPO, Sulfur, and Selenium","Organometallics","2016","35","11","1624","","10.1021/acs.organomet.6b00084","","x-ray","1.54184","CuKα","","0.0909","0.062","","","0.1545","0.1743","","","","","","1.02","","","","has coordinates,has disorder","237575","2020-10-21","18:00:00",""
"4088445","27.7545","0.0003","11.82467","0.00014","27.9694","0.0003","90","","95.0662","0.0011","90","","9143.36","0.18","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C56 H65 N2 Ni -","- C56 H65 N2 Ni -","- C448 H520 N16 Ni8 -","8","2","","Chakraborty, Uttam; Urban, Franziska; Mühldorf, Bernd; Rebreyend, Christophe; de Bruin, Bas; van Velzen, Niels; Harder, Sjoerd; Wolf, Robert","Accessing the CpArNi(I) Synthon: Reactions with N-Heterocyclic Carbenes, TEMPO, Sulfur, and Selenium","Organometallics","2016","35","11","1624","","10.1021/acs.organomet.6b00084","","x-ray","1.54184","CuKα","","0.0595","0.0515","","","0.1423","0.1492","","","","","","1.017","","","","has coordinates,has disorder","237577","2020-10-21","18:00:00",""
"4088446","10.88422","0.0001","20.99784","0.00019","13.29748","0.00012","90","","107.913","0.0009","90","","2891.76","0.05","123","1","123","1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C72 H81 N2 Ni -","- C72 H81 N2 Ni -","- C144 H162 N4 Ni2 -","2","1","","Chakraborty, Uttam; Urban, Franziska; Mühldorf, Bernd; Rebreyend, Christophe; de Bruin, Bas; van Velzen, Niels; Harder, Sjoerd; Wolf, Robert","Accessing the CpArNi(I) Synthon: Reactions with N-Heterocyclic Carbenes, TEMPO, Sulfur, and Selenium","Organometallics","2016","35","11","1624","","10.1021/acs.organomet.6b00084","","x-ray","1.54184","CuKα","","0.0293","0.029","","","0.075","0.0753","","","","","","1.048","","","","has coordinates","237579","2020-10-21","18:00:00",""
"4088447","12.967","0.0006","17.4964","0.0009","20.0058","0.001","70.835","0.001","78.576","0.001","75.975","0.001","4124.5","0.4","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C36 H41 Cl5 N4 O6 Ru2 -","- C36 H41 Cl5 N4 O6 Ru2 -","- C144 H164 Cl20 N16 O24 Ru8 -","4","2","","Dutta, Indranil; Sarbajna, Abir; Pandey, Pragati; Rahaman, S. M. Wahidur; Singh, Kuldeep; Bera, Jitendra K.","Acceptorless Dehydrogenation of Alcohols on a Diruthenium(II,II) Platform","Organometallics","2016","35","10","1505","","10.1021/acs.organomet.6b00085","","","0.71073","MoKα","","0.094","0.0667","","","0.1802","0.2007","","","","","","1.094","","","","has coordinates","253039","2020-10-21","18:00:00",""
"4088448","12.0243","0.0017","14.635","0.002","13.996","0.002","90","","94.1546","0.0016","90","","2456.5","0.6","100","2","100","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C28 H42 U -","- C28 H42 U -","- C112 H168 U4 -","4","0.5","","Pagano, Justin K.; Dorhout, Jacquelyn M.; Czerwinski, Kenneth R.; Morris, David E.; Scott, Brian L.; Waterman, Rory; Kiplinger, Jaqueline L.","Tuning the Oxidation State, Nuclearity, and Chemistry of Uranium Hydrides with Phenylsilane and Temperature: The Case of the Classic Uranium(III) Hydride Complex [(C5Me5)2U(μ-H)]2","Organometallics","2016","35","5","617","","10.1021/acs.organomet.6b00091","","","0.71073","MoKα","","0.0287","0.0171","","","0.0411","0.0447","","","","","","1.199","","","","has coordinates","237582","2020-10-21","18:00:00",""
"4088449","16.0131","0.0014","12.6637","0.0011","24.503","0.002","90","","105.754","0.001","90","","4782.2","0.7","100","1","100","1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C56 H54 Cl Fe O P4 -","- C56 H54 Cl Fe O P4 -","- C224 H216 Cl4 Fe4 O4 P16 -","4","1","","Tondreau, Aaron M.; Scott, Brian L.; Boncella, James M.","A Tertiary Carbon‒Iron Bond as an FeICl Synthon and the Reductive Alkylation of Diphosphine-Supported Iron(II) Chloride Complexes to Low-Valent Iron","Organometallics","2016","35","11","1643","","10.1021/acs.organomet.6b00108","","","0.71073","MoKα","","0.0749","0.0451","","","0.0852","0.0934","","","","","","1.307","","","","has coordinates","237585","2020-10-21","18:00:00",""
"4088450","46.069","0.006","10.7732","0.0015","17.772","0.002","90","","98.247","0.002","90","","8729.2","1.9","100","1","100","1","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C54 H48 Fe N2 O0.5 P4 -","- C54 H48 Fe N2 O0.5 P4 -","- C432 H384 Fe8 N16 O4 P32 -","8","1","","Tondreau, Aaron M.; Scott, Brian L.; Boncella, James M.","A Tertiary Carbon‒Iron Bond as an FeICl Synthon and the Reductive Alkylation of Diphosphine-Supported Iron(II) Chloride Complexes to Low-Valent Iron","Organometallics","2016","35","11","1643","","10.1021/acs.organomet.6b00108","","","0.71073","MoKα","","0.0895","0.0494","","","0.1061","0.1242","","","","","","1.036","","","","has coordinates","237585","2020-10-21","18:00:00",""
"4088451","10.0008","0.0019","13.114","0.003","21.946","0.004","90","","91.961","0.002","90","","2876.5","1","140","1","140","1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C32 H38 Fe Si2 -","- C32 H38 Fe Si2 -","- C128 H152 Fe4 Si8 -","4","1","","Tondreau, Aaron M.; Scott, Brian L.; Boncella, James M.","A Tertiary Carbon‒Iron Bond as an FeICl Synthon and the Reductive Alkylation of Diphosphine-Supported Iron(II) Chloride Complexes to Low-Valent Iron","Organometallics","2016","35","11","1643","","10.1021/acs.organomet.6b00108","","","0.71073","MoKα","","0.0583","0.0391","","","0.0946","0.1023","","","","","","1.226","","","","has coordinates","237585","2020-10-21","18:00:00",""
"4088452","9.2918","0.0013","9.614","0.0013","23.399","0.003","90.684","0.002","90.764","0.003","115.56","0.002","1885.2","0.4","105","","105.29","","","","","","","","","5","P -1","-P 1","2","","bis(dimethylphosphinomethane)iron dinitrogen dimer","","- C24.566 H61.633 Fe2 N2 P8 -","- C24.566 H61.632 Fe2 N2 P8 -","- C49.132 H123.264 Fe4 N4 P16 -","2","1","","Tondreau, Aaron M.; Scott, Brian L.; Boncella, James M.","A Tertiary Carbon‒Iron Bond as an FeICl Synthon and the Reductive Alkylation of Diphosphine-Supported Iron(II) Chloride Complexes to Low-Valent Iron","Organometallics","2016","35","11","1643","","10.1021/acs.organomet.6b00108","","","0.71073","MoKα","","0.1052","0.0996","","","0.2696","0.2798","","","","","","0.9984","","","","has coordinates,has disorder","237585","2020-10-21","18:00:00",""
"4088453","9.7299","0.0012","11.4681","0.0014","12.7531","0.0015","83.672","0.003","74.459","0.003","85.048","0.003","1360.3","0.3","100","1","100","1","","","","","","","","7","P -1","-P 1","2","","","","- C29 H31 Cl F0.5 Fe N2 Si -","- C29 H31 Cl F0.5 Fe N2 Si -","- C58 H62 Cl2 F Fe2 N4 Si2 -","2","1","","Tondreau, Aaron M.; Scott, Brian L.; Boncella, James M.","A Tertiary Carbon‒Iron Bond as an FeICl Synthon and the Reductive Alkylation of Diphosphine-Supported Iron(II) Chloride Complexes to Low-Valent Iron","Organometallics","2016","35","11","1643","","10.1021/acs.organomet.6b00108","","","0.71073","MoKα","","0.054","0.0445","","","0.1257","0.1334","","","","","","1.103","","","","has coordinates","237585","2020-10-21","18:00:00",""
"4088454","9.9754","0.0006","22.594","0.0014","21.3086","0.0014","90","","96.412","0.0015","90","","4772.6","0.5","102","2","102","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C53 H71 Fe N3 Si2 -","- C53 H71 Fe N3 Si2 -","- C212 H284 Fe4 N12 Si8 -","4","1","","Tondreau, Aaron M.; Scott, Brian L.; Boncella, James M.","A Tertiary Carbon‒Iron Bond as an FeICl Synthon and the Reductive Alkylation of Diphosphine-Supported Iron(II) Chloride Complexes to Low-Valent Iron","Organometallics","2016","35","11","1643","","10.1021/acs.organomet.6b00108","","","0.71073","MoKα","","0.0602","0.0462","","","0.1061","0.1127","","","","","","1.048","","","","has coordinates","237585","2020-10-21","18:00:00",""
"4088455","9.2148","0.0008","16.837","0.0014","17.8782","0.0015","90","","90.231","0.002","90","","2773.8","0.4","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C28 H43 Na O3 Si -","- C28 H43 Na O3 Si -","- C112 H172 Na4 O12 Si4 -","4","2","","Tondreau, Aaron M.; Scott, Brian L.; Boncella, James M.","A Tertiary Carbon‒Iron Bond as an FeICl Synthon and the Reductive Alkylation of Diphosphine-Supported Iron(II) Chloride Complexes to Low-Valent Iron","Organometallics","2016","35","11","1643","","10.1021/acs.organomet.6b00108","","","0.71073","MoKα","","0.0697","0.0597","","","0.1581","0.1689","","","","","","1.081","","","","has coordinates,has disorder","237585","2020-10-21","18:00:00",""
"4088456","16.7047","0.0013","9.9238","0.0008","17.9359","0.0014","90","","117.395","0.0011","90","","2639.9","0.4","133","2","133","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C26 H31 Cl Fe N2 Si -","- C26 H31 Cl Fe N2 Si -","- C104 H124 Cl4 Fe4 N8 Si4 -","4","1","","Tondreau, Aaron M.; Scott, Brian L.; Boncella, James M.","A Tertiary Carbon‒Iron Bond as an FeICl Synthon and the Reductive Alkylation of Diphosphine-Supported Iron(II) Chloride Complexes to Low-Valent Iron","Organometallics","2016","35","11","1643","","10.1021/acs.organomet.6b00108","","","0.71073","MoKα","","0.0362","0.0297","","","0.0835","0.0967","","","","","","1.115","","","","has coordinates","258458","2020-10-21","18:00:00",""
"4088457","24.3853","0.0003","16.0918","0.0002","33.0002","0.0004","90","","102.955","0.0013","90","","12619.8","0.3","150","2","150","0.1","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C128 H102 B2 Cl4 F48 N4 Ru2 S2 -","- C128 H102 B2 Cl4 F48 N4 Ru2 S2 -","- C512 H408 B8 Cl16 F192 N16 Ru8 S8 -","4","1","","Bähr, Susanne; Simonneau, Antoine; Irran, Elisabeth; Oestreich, Martin","An Air-Stable Dimeric Ru‒S Complex with an NHC as Ancillary Ligand for Cooperative Si‒H Bond Activation","Organometallics","2016","35","7","925","","10.1021/acs.organomet.6b00110","","x-ray","1.54184","CuKα","","0.1394","0.1032","","","0.2242","0.2494","","","","","","1.085","","","","has coordinates","237588","2020-10-21","18:00:00",""
"4088458","7.49867","0.00019","23.3134","0.0005","16.1586","0.0004","90","","93.545","0.002","90","","2819.43","0.12","150","2","150","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C31 H37 Cl N2 Ru S -","- C31 H37 Cl N2 Ru S -","- C124 H148 Cl4 N8 Ru4 S4 -","4","1","","Bähr, Susanne; Simonneau, Antoine; Irran, Elisabeth; Oestreich, Martin","An Air-Stable Dimeric Ru‒S Complex with an NHC as Ancillary Ligand for Cooperative Si‒H Bond Activation","Organometallics","2016","35","7","925","","10.1021/acs.organomet.6b00110","","x-ray","1.54184","CuKα","","0.0756","0.0464","","","0.0929","0.1073","","","","","","1.009","","","","has coordinates","237588","2020-10-21","18:00:00",""
"4088459","8.5413","0.0003","9.5405","0.0004","15.9126","0.0006","76.1641","0.0012","85.1754","0.0013","78.7076","0.0012","1233.75","0.08","298.1","","298","","","","","","","","","3","P -1","-P 1","2","","","","- C27 H34 N4 -","- C27 H34 N4 -","- C54 H68 N8 -","2","1","","Song, Zhiyi; Hsieh, Yi-Fang; Nakajima, Kiyohiko; Kanno, Ken-ichiro; Takahashi, Tamotsu","Separation of Five Linearly Aligned Carbons into Two-Carbon and Three-Carbon Groups on Titanium","Organometallics","2016","35","8","1092","","10.1021/acs.organomet.6b00112","","","0.71075","MoKα","","","0.0739","","","","0.1823","","","","","","1.139","","","","has coordinates","237590","2020-10-21","18:00:00",""
"4088460","9.7053","0.0003","12.6208","0.0003","15.5751","0.0005","90","","90","","90","","1907.77","0.1","298.1","","298","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C23 H24 N4 -","- C23 H24 N4 -","- C92 H96 N16 -","4","1","","Song, Zhiyi; Hsieh, Yi-Fang; Nakajima, Kiyohiko; Kanno, Ken-ichiro; Takahashi, Tamotsu","Separation of Five Linearly Aligned Carbons into Two-Carbon and Three-Carbon Groups on Titanium","Organometallics","2016","35","8","1092","","10.1021/acs.organomet.6b00112","","","0.71075","MoKα","","","0.0428","","","","0.0365","","","","","","1.014","","","","has coordinates","237592","2020-10-21","18:00:00",""
"4088461","14.904","0.004","17.034","0.005","19.351","0.006","90","","90","","90","","4913","2","103","2","103","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C53 H79 Cl N P2 Rh -","- C53 H79 Cl N P2 Rh -","- C212 H316 Cl4 N4 P8 Rh4 -","4","1","","Taguchi, Hiro-omi; Sasaki, Daichi; Takeuchi, Katsuhiko; Tsujimoto, Shota; Matsuo, Tsukasa; Tanaka, Hiromasa; Yoshizawa, Kazunari; Ozawa, Fumiyuki","Unsymmetrical PNP-Pincer Type Phosphaalkene Ligands Protected by a Fused-Ring Bulky Eind Group: Synthesis and Applications to Rh(I) and Ir(I) Complexes","Organometallics","2016","35","10","1526","","10.1021/acs.organomet.6b00113","","","0.71075","MoKα","","0.1108","0.0796","","","0.1918","0.2333","","","","","","1.072","","","","has coordinates","237594","2020-10-21","18:00:00",""
"4088462","14.9689","0.0018","16.995","0.002","19.372","0.002","90","","90","","90","","4928.2","1","103","2","103","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C53 H79 Cl Ir N P2 -","- C53 H79 Cl Ir N P2 -","- C212 H316 Cl4 Ir4 N4 P8 -","4","1","","Taguchi, Hiro-omi; Sasaki, Daichi; Takeuchi, Katsuhiko; Tsujimoto, Shota; Matsuo, Tsukasa; Tanaka, Hiromasa; Yoshizawa, Kazunari; Ozawa, Fumiyuki","Unsymmetrical PNP-Pincer Type Phosphaalkene Ligands Protected by a Fused-Ring Bulky Eind Group: Synthesis and Applications to Rh(I) and Ir(I) Complexes","Organometallics","2016","35","10","1526","","10.1021/acs.organomet.6b00113","","","0.71075","MoKα","","0.0211","0.0198","","","0.044","0.0591","","","","","","1.074","","","","has coordinates","237594","2020-10-21","18:00:00",""
"4088463","12.1391","0.0013","29.372","0.003","18.861","0.002","90","","104.276","0.0014","90","","6517.2","1.2","103","2","103","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C65 H102 Cl K N O6 P2 Rh -","- C65 H102 Cl K N O6 P2 Rh -","- C260 H408 Cl4 K4 N4 O24 P8 Rh4 -","4","1","","Taguchi, Hiro-omi; Sasaki, Daichi; Takeuchi, Katsuhiko; Tsujimoto, Shota; Matsuo, Tsukasa; Tanaka, Hiromasa; Yoshizawa, Kazunari; Ozawa, Fumiyuki","Unsymmetrical PNP-Pincer Type Phosphaalkene Ligands Protected by a Fused-Ring Bulky Eind Group: Synthesis and Applications to Rh(I) and Ir(I) Complexes","Organometallics","2016","35","10","1526","","10.1021/acs.organomet.6b00113","","","0.71075","MoKα","","0.057","0.0474","","","0.119","0.1321","","","","","","1.16","","","","has coordinates","237594","2020-10-21","18:00:00",""
"4088464","12.222","0.003","29.346","0.008","18.875","0.005","90","","104.227","0.003","90","","6562","3","103","2","103","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C65 H102 Cl Ir K N O6 P2 -","- C65 H102 Cl Ir K N O6 P2 -","- C260 H408 Cl4 Ir4 K4 N4 O24 P8 -","4","1","","Taguchi, Hiro-omi; Sasaki, Daichi; Takeuchi, Katsuhiko; Tsujimoto, Shota; Matsuo, Tsukasa; Tanaka, Hiromasa; Yoshizawa, Kazunari; Ozawa, Fumiyuki","Unsymmetrical PNP-Pincer Type Phosphaalkene Ligands Protected by a Fused-Ring Bulky Eind Group: Synthesis and Applications to Rh(I) and Ir(I) Complexes","Organometallics","2016","35","10","1526","","10.1021/acs.organomet.6b00113","","","0.71075","MoKα","","0.0692","0.0511","","","0.1183","0.1404","","","","","","1.159","","","","has coordinates","237594","2020-10-21","18:00:00",""
"4088465","15.5387","0.0011","10.1599","0.0007","31.327","0.002","90","","98.745","0.004","90","","4888.2","0.6","103","2","103","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C53 H81 N2 P2 Rh -","- C53 H81 N2 P2 Rh -","- C212 H324 N8 P8 Rh4 -","4","1","","Taguchi, Hiro-omi; Sasaki, Daichi; Takeuchi, Katsuhiko; Tsujimoto, Shota; Matsuo, Tsukasa; Tanaka, Hiromasa; Yoshizawa, Kazunari; Ozawa, Fumiyuki","Unsymmetrical PNP-Pincer Type Phosphaalkene Ligands Protected by a Fused-Ring Bulky Eind Group: Synthesis and Applications to Rh(I) and Ir(I) Complexes","Organometallics","2016","35","10","1526","","10.1021/acs.organomet.6b00113","","","0.71069","MoKα","","0.1601","0.1458","","","0.3088","0.3172","","","","","","1.384","","","","has coordinates","237594","2020-10-21","18:00:00",""
"4088466","19.7562","0.0008","9.9586","0.0004","15.9756","0.0007","90","","124.665","0.002","90","","2585.2","0.2","100","1","100","1","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C24 H26 N8 Zn2 -","- C24 H26 N8 Zn2 -","- C96 H104 N32 Zn8 -","4","0.5","","Stienen, Christian; Gondzik, Sebastian; Gehlhaar, Alexander; Haack, Rebekka; Wölper, Christoph; Jansen, Georg; Schulz, Stephan","(MeZn)2(μ-η2:η2-N6Ph2): A Powerful Starting Reagent for the Synthesis of Metal Hexazene Complexes","Organometallics","2016","35","7","1022","","10.1021/acs.organomet.6b00116","","","0.71073","MoKα","","0.0312","0.0234","","","0.0568","0.0604","","","","","","1.075","","","","has coordinates","237596","2020-10-21","18:00:00",""
"4088467","12.2847","0.0007","12.5106","0.0007","13.2016","0.0008","89.189","0.004","69.254","0.004","87.869","0.004","1896.1","0.2","100","1","100","1","","","","","","","","5","P -1","-P 1","2","","","","- C82 H102 F2 N10 Zn2 -","- C82 H102.002 F1.998 N10 Zn2 -","- C82 H102.002 F1.998 N10 Zn2 -","1","0.5","","Stienen, Christian; Gondzik, Sebastian; Gehlhaar, Alexander; Haack, Rebekka; Wölper, Christoph; Jansen, Georg; Schulz, Stephan","(MeZn)2(μ-η2:η2-N6Ph2): A Powerful Starting Reagent for the Synthesis of Metal Hexazene Complexes","Organometallics","2016","35","7","1022","","10.1021/acs.organomet.6b00116","","","0.71073","MoKα","","0.1257","0.0576","","","0.1119","0.1389","","","","","","1.015","","","","has coordinates,has disorder","237596","2020-10-21","18:00:00",""
"4088468","7.6535","0.0013","9.2634","0.0016","10.463","0.002","113.086","0.009","91.855","0.009","105.457","0.009","649.8","0.2","100","1","100","1","","","","","","","","5","P -1","-P 1","2","","","","- C24 H38 Al2 N6 O2 -","- C24 H38 Al2 N6 O2 -","- C24 H38 Al2 N6 O2 -","1","0.5","","Stienen, Christian; Gondzik, Sebastian; Gehlhaar, Alexander; Haack, Rebekka; Wölper, Christoph; Jansen, Georg; Schulz, Stephan","(MeZn)2(μ-η2:η2-N6Ph2): A Powerful Starting Reagent for the Synthesis of Metal Hexazene Complexes","Organometallics","2016","35","7","1022","","10.1021/acs.organomet.6b00116","","","0.71073","MoKα","","0.0645","0.0476","","","0.1271","0.144","","","","","","1.051","","","","has coordinates","237596","2020-10-21","18:00:00",""
"4088469","8.9002","0.0004","10.8554","0.0006","11.3702","0.0006","101.272","0.003","105.138","0.002","95.015","0.002","1028.78","0.09","100","1","100","1","","","","","","","","4","P -1","-P 1","2","","","","- C46 H44 N10 Zn2 -","- C46 H44 N10 Zn2 -","- C46 H44 N10 Zn2 -","1","0.5","","Stienen, Christian; Gondzik, Sebastian; Gehlhaar, Alexander; Haack, Rebekka; Wölper, Christoph; Jansen, Georg; Schulz, Stephan","(MeZn)2(μ-η2:η2-N6Ph2): A Powerful Starting Reagent for the Synthesis of Metal Hexazene Complexes","Organometallics","2016","35","7","1022","","10.1021/acs.organomet.6b00116","","","0.71073","MoKα","","0.0338","0.028","","","0.0789","0.081","","","","","","1.137","","","","has coordinates","237596","2020-10-21","18:00:00",""
"4088470","20.187","0.004","10.317","0.002","16.251","0.003","90","","91.42","0.02","90","","3383.5","1.1","250","2","250","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","Moris342 (Dana)","","","- C33 H40 Cl2 N3 O Ti -","- C33 H40 Cl2 N3 O Ti -","- C132 H160 Cl8 N12 O4 Ti4 -","4","1","","Shoken, Dana; Shimon, Linda J. W.; Tamm, Matthias; Eisen, Moris S.","Synthesis of Imidazolin-2-iminato Titanium Complexes Containing Aryloxo Ligands and Their Catalytic Performance in the Polymerization of α-Olefins","Organometallics","2016","35","8","1125","","10.1021/acs.organomet.6b00117","","","0.71073","MoKα","","0.1351","0.0617","","","0.1728","0.2039","","","","","","0.929","","","","has coordinates","237598","2020-10-21","18:00:00",""
"4088471","26.868","0.003","16.555","0.003","17.261","0.003","90","","112.295","0.006","90","","7104","2","250","1","250","1","","","","","","","","6","C 1 2/c 1","-C 2yc","15","Moris-332 (Dana)","","","- C33 H54 Cl2 N3 O2 Ti -","- C33 H54 Cl2 N3 O2 Ti -","- C264 H432 Cl16 N24 O16 Ti8 -","8","1","","Shoken, Dana; Shimon, Linda J. W.; Tamm, Matthias; Eisen, Moris S.","Synthesis of Imidazolin-2-iminato Titanium Complexes Containing Aryloxo Ligands and Their Catalytic Performance in the Polymerization of α-Olefins","Organometallics","2016","35","8","1125","","10.1021/acs.organomet.6b00117","","","0.71073","MoKα","","0.1459","0.0816","","","0.2443","0.2733","","","","","","1.06","","","","has coordinates","237600","2020-10-21","18:00:00",""
"4088472","17.329","0.0004","9.551","0.0002","18.416","0.0007","90","","101.583","0.001","90","","2985.95","0.15","200","2","200","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","Moris387","","","- C25 H41 Cl2 N3 O Ti -","- C25 H41 Cl2 N3 O Ti -","- C100 H164 Cl8 N12 O4 Ti4 -","4","1","","Shoken, Dana; Shimon, Linda J. W.; Tamm, Matthias; Eisen, Moris S.","Synthesis of Imidazolin-2-iminato Titanium Complexes Containing Aryloxo Ligands and Their Catalytic Performance in the Polymerization of α-Olefins","Organometallics","2016","35","8","1125","","10.1021/acs.organomet.6b00117","","","0.71073","MoKα","","0.065","0.0466","","","0.1211","0.1348","","","","","","1.064","","","","has coordinates","237602","2020-10-21","18:00:00",""
"4088473","10.143","0.0019","15.794","0.007","17.447","0.003","90","","96.469","0.013","90","","2777.2","1.4","200","2","200","2","","","","","","","","6","C 1 c 1","C -2yc","9","Moris409","","","- C25 H41 Cl2 N3 O Ti -","- C25 H41 Cl2 N3 O Ti -","- C100 H164 Cl8 N12 O4 Ti4 -","4","1","","Shoken, Dana; Shimon, Linda J. W.; Tamm, Matthias; Eisen, Moris S.","Synthesis of Imidazolin-2-iminato Titanium Complexes Containing Aryloxo Ligands and Their Catalytic Performance in the Polymerization of α-Olefins","Organometallics","2016","35","8","1125","","10.1021/acs.organomet.6b00117","","","0.71073","MoKα","","0.027","0.0252","","","0.0634","0.0643","","","","","","1.035","","","","has coordinates","237604","2020-10-21","18:00:00",""
"4088474","9.43883","0.00012","24.9246","0.0003","12.43441","0.00014","90","","95.931","0.0011","90","","2909.65","0.06","100","","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C29 H42 Br2 Fe N2 -","- C29 H42 Br2 Fe N2 -","- C116 H168 Br8 Fe4 N8 -","4","1","","Dunsford, Jay J.; Evans, David J.; Pugh, Thomas; Shah, Sachin N.; Chilton, Nicholas F.; Ingleson, Michael J.","Three-Coordinate Iron(II) Expanded Ring N-Heterocyclic Carbene Complexes","Organometallics","2016","35","8","1098","","10.1021/acs.organomet.6b00121","","","1.54184","CuKα","","0.0211","0.0204","","","0.0503","0.0506","","","","","","1.059","","","","has coordinates","237607","2020-10-21","18:00:00",""
"4088475","17.3888","0.0011","9.6923","0.0004","21.2098","0.0012","90","","112.052","0.007","90","","3313.1","0.4","150.02","0.11","150.02","0.11","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C35 H48 Cl2 Fe N2 -","- C35 H48 Cl2 Fe N2 -","- C140 H192 Cl8 Fe4 N8 -","4","1","","Dunsford, Jay J.; Evans, David J.; Pugh, Thomas; Shah, Sachin N.; Chilton, Nicholas F.; Ingleson, Michael J.","Three-Coordinate Iron(II) Expanded Ring N-Heterocyclic Carbene Complexes","Organometallics","2016","35","8","1098","","10.1021/acs.organomet.6b00121","","x-ray","0.71073","MoKα","","0.0795","0.0498","","","0.1043","0.1143","","","","","","1.022","","","","has coordinates","237607","2020-10-21","18:00:00",""
"4088476","11.155","0.002","19.056","0.004","15.342","0.003","90","","96.52","0.03","90","","3240.2","1.1","150","","150","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C32.5 H42 Cl2 Fe N2 -","- C32.5 H42 Cl2 Fe N2 -","- C130 H168 Cl8 Fe4 N8 -","4","1","","Dunsford, Jay J.; Evans, David J.; Pugh, Thomas; Shah, Sachin N.; Chilton, Nicholas F.; Ingleson, Michael J.","Three-Coordinate Iron(II) Expanded Ring N-Heterocyclic Carbene Complexes","Organometallics","2016","35","8","1098","","10.1021/acs.organomet.6b00121","","","0.71073","MoKα","","0.1497","0.0802","","","0.1486","0.1864","","","","","","1.097","","","","has coordinates","237607","2020-10-21","18:00:00",""
"4088477","8.4392","0.0004","12.4618","0.0005","13.7286","0.0006","78.655","0.004","80.812","0.004","80.569","0.004","1384.28","0.11","150.01","0.1","150.01","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C27 H38 Br2 Fe N2 O -","- C27 H38 Br2 Fe N2 O -","- C54 H76 Br4 Fe2 N4 O2 -","2","1","","Dunsford, Jay J.; Evans, David J.; Pugh, Thomas; Shah, Sachin N.; Chilton, Nicholas F.; Ingleson, Michael J.","Three-Coordinate Iron(II) Expanded Ring N-Heterocyclic Carbene Complexes","Organometallics","2016","35","8","1098","","10.1021/acs.organomet.6b00121","","x-ray","0.71073","MoKα","","0.0409","0.0318","","","0.0692","0.073","","","","","","1.022","","","","has coordinates","237607","2020-10-21","18:00:00",""
"4088478","12.2689","0.0004","16.2289","0.0003","18.0297","0.0005","90","","108.813","0.003","90","","3398.12","0.17","150.03","0.17","150.03","0.17","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C35 H42 Br2 Fe N2 -","- C35 H42 Br2 Fe N2 -","- C140 H168 Br8 Fe4 N8 -","4","1","","Dunsford, Jay J.; Evans, David J.; Pugh, Thomas; Shah, Sachin N.; Chilton, Nicholas F.; Ingleson, Michael J.","Three-Coordinate Iron(II) Expanded Ring N-Heterocyclic Carbene Complexes","Organometallics","2016","35","8","1098","","10.1021/acs.organomet.6b00121","","","0.71073","MoKα","","0.0423","0.0331","","","0.0862","0.0908","","","","","","1.085","","","","has coordinates,has disorder","237607","2020-10-21","18:00:00",""
"4088479","10.6547","0.0005","12.2902","0.0008","16.2704","0.0013","70.448","0.007","88.517","0.005","67.228","0.005","1838","0.2","150.02","0.14","150.02","0.14","","","","","","","","5","P -1","-P 1","2","","","","- C78 H100 Br4 Fe2 N4 -","- C78 H100 Br4 Fe2 N4 -","- C78 H100 Br4 Fe2 N4 -","1","0.5","","Dunsford, Jay J.; Evans, David J.; Pugh, Thomas; Shah, Sachin N.; Chilton, Nicholas F.; Ingleson, Michael J.","Three-Coordinate Iron(II) Expanded Ring N-Heterocyclic Carbene Complexes","Organometallics","2016","35","8","1098","","10.1021/acs.organomet.6b00121","","","0.71073","MoKα","","0.0812","0.0537","","","0.1192","0.1335","","","","","","1.066","","","","has coordinates","237607","2020-10-21","18:00:00",""
"4088480","15.5289","0.0004","18.4203","0.0006","22.0688","0.0006","90","","90","","90","","6312.7","0.3","150.02","0.1","150.02","0.1","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C31 H46 Br2 Fe N2 O -","- C31 H46 Br2 Fe N2 O -","- C248 H368 Br16 Fe8 N16 O8 -","8","1","","Dunsford, Jay J.; Evans, David J.; Pugh, Thomas; Shah, Sachin N.; Chilton, Nicholas F.; Ingleson, Michael J.","Three-Coordinate Iron(II) Expanded Ring N-Heterocyclic Carbene Complexes","Organometallics","2016","35","8","1098","","10.1021/acs.organomet.6b00121","","","0.71073","MoKα","","0.0432","0.0307","","","0.0631","0.0677","","","","","","1.041","","","","has coordinates","237607","2020-10-21","18:00:00",""
"4088481","19.6292","0.0008","17.6232","0.0008","17.8101","0.0007","90","","101.236","0.001","90","","6042.9","0.4","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C32 H28 N4 O2 Pd2 -","- C32 H28 N4 O2 Pd2 -","- C256 H224 N32 O16 Pd16 -","8","1","","Vicente-Hernandez, Inmaculada; Chicote, María-Teresa; Vicente, José; Bautista, Delia","Synthesis of Aryl-, Benzoyl-, and Iminobenzoyl-Palladium(II) Complexes Derived from N-Phenyl Formamide. Synthesis of a Homoleptic Ball-Shaped Tetranuclear Palladium Complex","Organometallics","2016","35","8","1107","","10.1021/acs.organomet.6b00122","","","0.71073","MoKα","","0.0264","0.0202","","","0.0451","0.0473","","","","","","1.033","","","","has coordinates","237609","2020-10-21","18:00:00",""
"4088482","18.496","0.002","21.629","0.003","14.2704","0.0018","90","","94.758","0.004","90","","5689.2","1.2","100","2","100","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C26.5 H31 Cl F3 N3 O4 Pd S -","- C26.5 H31 Cl F3 N3 O4 Pd S -","- C212 H248 Cl8 F24 N24 O32 Pd8 S8 -","8","2","","Vicente-Hernandez, Inmaculada; Chicote, María-Teresa; Vicente, José; Bautista, Delia","Synthesis of Aryl-, Benzoyl-, and Iminobenzoyl-Palladium(II) Complexes Derived from N-Phenyl Formamide. Synthesis of a Homoleptic Ball-Shaped Tetranuclear Palladium Complex","Organometallics","2016","35","8","1107","","10.1021/acs.organomet.6b00122","","","0.71073","MoKα","","0.0692","0.0497","","","0.1387","0.151","","","","","","1.035","","","","has coordinates","237609","2020-10-21","18:00:00",""
"4088483","13.759","0.001","16.554","0.0012","15.9444","0.0012","90","","103.333","0.002","90","","3533.7","0.5","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C38 H48 N4 O2 Pd -","- C38 H48 N4 O2 Pd -","- C152 H192 N16 O8 Pd4 -","4","1","","Vicente-Hernandez, Inmaculada; Chicote, María-Teresa; Vicente, José; Bautista, Delia","Synthesis of Aryl-, Benzoyl-, and Iminobenzoyl-Palladium(II) Complexes Derived from N-Phenyl Formamide. Synthesis of a Homoleptic Ball-Shaped Tetranuclear Palladium Complex","Organometallics","2016","35","8","1107","","10.1021/acs.organomet.6b00122","","","0.71073","MoKα","","0.0347","0.0281","","","0.0718","0.0754","","","","","","1.065","","","","has coordinates","237609","2020-10-21","18:00:00",""
"4088484","11.3812","0.0008","12.7207","0.0009","15.9938","0.0012","95.795","0.002","107.259","0.002","107.969","0.002","2055.6","0.3","150","2","150","2","","","","","","","","4","P -1","-P 1","2","Biphenyl BP cluster","","","- C54 H51 B P -","- C54 H51 B P -","- C108 H102 B2 P2 -","2","1","","Barnard, Jonathan H.; Yruegas, Sam; Couchman, Shannon A.; Wilson, David J. D.; Dutton, Jason L.; Martin, Caleb D.","Reactivity of a Phosphaalkyne with Pentaarylboroles","Organometallics","2016","35","7","929","","10.1021/acs.organomet.6b00123","","","0.71073","MoKα","","0.06","0.0414","","","0.0997","0.1092","","","","","","1.043","","","","has coordinates","237611","2020-10-21","18:00:00",""
"4088485","10.5235","0.0003","16.9647","0.0005","21.169","0.0007","66.6893","0.0012","82.5213","0.0012","89.1313","0.0012","3438.5","0.18","150","2","150","2","","","","","","","","4","P -1","-P 1","2","Phenyl BP cluster","","","- C45 H40 B P -","- C45 H40 B P -","- C180 H160 B4 P4 -","4","2","","Barnard, Jonathan H.; Yruegas, Sam; Couchman, Shannon A.; Wilson, David J. D.; Dutton, Jason L.; Martin, Caleb D.","Reactivity of a Phosphaalkyne with Pentaarylboroles","Organometallics","2016","35","7","929","","10.1021/acs.organomet.6b00123","","","0.71073","MoKα","","0.0678","0.0474","","","0.1117","0.1261","","","","","","1.057","","","","has coordinates,has disorder","237611","2020-10-21","18:00:00",""
"4088486","11.0877","0.0006","11.9227","0.0007","12.2107","0.0007","68.21","0.002","88.182","0.002","85.905","0.002","1495.01","0.15","150","2","150","2","","","","","","","","3","P -1","-P 1","2","B-Biphenylborole","","","- C40 H29 B -","- C40 H29 B -","- C80 H58 B2 -","2","1","","Barnard, Jonathan H.; Yruegas, Sam; Couchman, Shannon A.; Wilson, David J. D.; Dutton, Jason L.; Martin, Caleb D.","Reactivity of a Phosphaalkyne with Pentaarylboroles","Organometallics","2016","35","7","929","","10.1021/acs.organomet.6b00123","","","0.71073","MoKα","","0.0488","0.0409","","","0.1009","0.1047","","","","","","1.042","","","","has coordinates","237611","2020-10-21","18:00:00",""
"4088487","11.9229","0.0003","14.9018","0.0004","17.4042","0.0005","90","","100.108","0.002","90","","3044.25","0.14","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C28 H56 O4 Si2 -","- C28 H56 O4 Si2 -","- C112 H224 O16 Si8 -","4","1","","Arzumanyan, Ashot V.; Terent’ev, Alexander O.; Novikov, Roman A.; Lakhtin, Valentin G.; Grigoriev, Michail S.; Nikishin, Gennady I.","Reduction of Organosilicon Peroxides: Ring Contraction and Cyclodimerization","Organometallics","2016","35","11","1667","","10.1021/acs.organomet.6b00129","","","0.71073","MoKα","","0.0825","0.0455","","","0.0985","0.1131","","","","","","1.006","","","","has coordinates","237613","2020-10-21","18:00:00",""
"4088488","14.855","0.003","18.257","0.003","21.137","0.003","90","","109.111","0.003","90","","5416.6","1.6","200","2","200","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C57 H75 Br Mo2 N4 O -","- C57 H75 Br Mo2 N4 O -","- C228 H300 Br4 Mo8 N16 O4 -","4","1","","Harisomayajula, N. V. Satyachand; Chen, Han-Gung; Kuo, Ting-Shen; Tsai, Yi-Chou","Reductive Cleavage of Acyl Halides to Carboxylato Alkylidyne Complexes from Their Reactions with the Quintuply Bonded Dimolybdenum Amidinate","Organometallics","2016","35","10","1534","","10.1021/acs.organomet.6b00132","","","0.71073","MoKα","","0.0613","0.0375","","","0.0879","0.1021","","","","","","1.065","","","","has coordinates,has disorder","237616","2020-10-21","18:00:00",""
"4088489","14.881","0.003","18.267","0.004","20.948","0.005","90","","109.538","0.003","90","","5366","2","200","2","200","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C57 H74 Cl F Mo2 N4 O -","- C57 H74 Cl F Mo2 N4 O -","- C228 H296 Cl4 F4 Mo8 N16 O4 -","4","1","","Harisomayajula, N. V. Satyachand; Chen, Han-Gung; Kuo, Ting-Shen; Tsai, Yi-Chou","Reductive Cleavage of Acyl Halides to Carboxylato Alkylidyne Complexes from Their Reactions with the Quintuply Bonded Dimolybdenum Amidinate","Organometallics","2016","35","10","1534","","10.1021/acs.organomet.6b00132","","","0.71073","MoKα","","0.1675","0.0661","","","0.1521","0.217","","","","","","0.996","","","","has coordinates","237616","2020-10-21","18:00:00",""
"4088490","21.489","0.003","21.866","0.003","23.615","0.003","90","","100","0.002","90","","10928","3","200","2","200","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C58 H77 Cl Mo2 N4 O -","- C58 H77 Cl Mo2 N4 O -","- C464 H616 Cl8 Mo16 N32 O8 -","8","2","","Harisomayajula, N. V. Satyachand; Chen, Han-Gung; Kuo, Ting-Shen; Tsai, Yi-Chou","Reductive Cleavage of Acyl Halides to Carboxylato Alkylidyne Complexes from Their Reactions with the Quintuply Bonded Dimolybdenum Amidinate","Organometallics","2016","35","10","1534","","10.1021/acs.organomet.6b00132","","","0.71073","MoKα","","0.0914","0.047","","","0.0981","0.1285","","","","","","1.008","","","","has coordinates,has disorder","237616","2020-10-21","18:00:00",""
"4088491","10.6576","0.0016","13.8872","0.0013","19.53","0.003","84.958","0.004","75.534","0.006","73.552","0.005","2683.9","0.6","200","2","200","2","","","","","","","","6","P -1","-P 1","2","","","","- C54 H76 Cl2 Mo2 N4 O2 -","- C54 H76 Cl2 Mo2 N4 O2 -","- C108 H152 Cl4 Mo4 N8 O4 -","2","1","","Harisomayajula, N. V. Satyachand; Chen, Han-Gung; Kuo, Ting-Shen; Tsai, Yi-Chou","Reductive Cleavage of Acyl Halides to Carboxylato Alkylidyne Complexes from Their Reactions with the Quintuply Bonded Dimolybdenum Amidinate","Organometallics","2016","35","10","1534","","10.1021/acs.organomet.6b00132","","","0.71073","MoKα","","0.1355","0.0661","","","0.1461","0.2156","","","","","","1.039","","","","has coordinates","237616","2020-10-21","18:00:00",""
"4088492","13.103","0.002","14.08","0.002","19.976","0.003","84.099","0.003","80.683","0.003","81.33","0.003","3583.6","0.9","200","2","200","2","","","","","","","","6","P -1","-P 1","2","","","","- C64 H80 Cl2 Mo2 N4 O2 -","- C64 H80 Cl2 Mo2 N4 O2 -","- C128 H160 Cl4 Mo4 N8 O4 -","2","1","","Harisomayajula, N. V. Satyachand; Chen, Han-Gung; Kuo, Ting-Shen; Tsai, Yi-Chou","Reductive Cleavage of Acyl Halides to Carboxylato Alkylidyne Complexes from Their Reactions with the Quintuply Bonded Dimolybdenum Amidinate","Organometallics","2016","35","10","1534","","10.1021/acs.organomet.6b00132","","","0.71073","MoKα","","0.0822","0.0583","","","0.1696","0.1824","","","","","","1.041","","","","has coordinates","237616","2020-10-21","18:00:00",""
"4088493","13.0638","0.0003","13.8907","0.0003","20.4848","0.0004","83.471","0.001","80.805","0.001","81.632","0.001","3614.84","0.13","200","2","200","2","","","","","","","","6","P -1","-P 1","2","","","","- C68 H90 Br2 Mo2 N4 O3 -","- C64 H80 Br2 Mo2 N4 O2 -","- C128 H160 Br4 Mo4 N8 O4 -","2","1","","Harisomayajula, N. V. Satyachand; Chen, Han-Gung; Kuo, Ting-Shen; Tsai, Yi-Chou","Reductive Cleavage of Acyl Halides to Carboxylato Alkylidyne Complexes from Their Reactions with the Quintuply Bonded Dimolybdenum Amidinate","Organometallics","2016","35","10","1534","","10.1021/acs.organomet.6b00132","","","0.71073","MoKα","","0.0582","0.0399","","","0.1075","0.1164","","","","","","0.986","","","","has coordinates,has disorder","237616","2020-10-21","18:00:00",""
"4088494","21.1862","0.0006","21.1862","0.0006","54.0853","0.0017","90","","90","","90","","24276.5","1.2","200","2","200","2","","","","","","","","7","I 41/a :2","-I 4ad","88","","","","- C64 H78 Cl2 F2 Mo2 N4 O2 -","- C64 H78 Cl2 F2 Mo2 N4 O2 -","- C1024 H1248 Cl32 F32 Mo32 N64 O32 -","16","1","","Harisomayajula, N. V. Satyachand; Chen, Han-Gung; Kuo, Ting-Shen; Tsai, Yi-Chou","Reductive Cleavage of Acyl Halides to Carboxylato Alkylidyne Complexes from Their Reactions with the Quintuply Bonded Dimolybdenum Amidinate","Organometallics","2016","35","10","1534","","10.1021/acs.organomet.6b00132","","","0.71073","MoKα","","0.0709","0.042","","","0.1136","0.1437","","","","","","1.109","","","","has coordinates,has disorder","237616","2020-10-21","18:00:00",""
"4088495","24.8105","0.0016","23.1345","0.0015","40.986","0.003","90","","90","","90","","23525","3","200","2","200","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C64 H80 F2 Mo2 N4 O2 -","- C64 H80 F2 Mo2 N4 O2 -","- C1024 H1280 F32 Mo32 N64 O32 -","16","2","","Harisomayajula, N. V. Satyachand; Chen, Han-Gung; Kuo, Ting-Shen; Tsai, Yi-Chou","Reductive Cleavage of Acyl Halides to Carboxylato Alkylidyne Complexes from Their Reactions with the Quintuply Bonded Dimolybdenum Amidinate","Organometallics","2016","35","10","1534","","10.1021/acs.organomet.6b00132","","","0.71073","MoKα","","0.116","0.0582","","","0.1229","0.1477","","","","","","1.018","","","","has coordinates,has disorder","237616","2020-10-21","18:00:00",""
"4088496","11.2572","0.0007","13.3312","0.0007","19.7052","0.0011","81.269","0.001","87.911","0.002","88.622","0.002","2920.5","0.3","200","2","200","2","","","","","","","","6","P -1","-P 1","2","","","","- C66 H84 F Mo2 N4 O -","- C66 H84 F Mo2 N4 O -","- C132 H168 F2 Mo4 N8 O2 -","2","1","","Harisomayajula, N. V. Satyachand; Chen, Han-Gung; Kuo, Ting-Shen; Tsai, Yi-Chou","Reductive Cleavage of Acyl Halides to Carboxylato Alkylidyne Complexes from Their Reactions with the Quintuply Bonded Dimolybdenum Amidinate","Organometallics","2016","35","10","1534","","10.1021/acs.organomet.6b00132","","","0.71073","MoKα","","0.0568","0.0368","","","0.094","0.1199","","","","","","1.086","","","","has coordinates","237616","2020-10-21","18:00:00",""
"4088497","12.0752","0.0006","24.9881","0.0012","22.0685","0.0011","90","","99.784","0.003","90","","6562","0.6","200","2","200","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C69 H93 Cl2 Mo2 N5 O2 -","- C69 H93 Cl2 Mo2 N5 O2 -","- C276 H372 Cl8 Mo8 N20 O8 -","4","1","","Harisomayajula, N. V. Satyachand; Chen, Han-Gung; Kuo, Ting-Shen; Tsai, Yi-Chou","Reductive Cleavage of Acyl Halides to Carboxylato Alkylidyne Complexes from Their Reactions with the Quintuply Bonded Dimolybdenum Amidinate","Organometallics","2016","35","10","1534","","10.1021/acs.organomet.6b00132","","","0.71073","MoKα","","0.0885","0.0597","","","0.1586","0.1829","","","","","","1.072","","","","has coordinates","237616","2020-10-21","18:00:00",""
"4088498","13.1549","0.0008","25.2313","0.0016","21.0529","0.0013","90","","93.755","0.002","90","","6972.8","0.7","200","2","200","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C73 H95 Cl2 Mo2 N4 O3 P -","- C73 H95 Cl2 Mo2 N4 O3 P -","- C292 H380 Cl8 Mo8 N16 O12 P4 -","4","1","","Harisomayajula, N. V. Satyachand; Chen, Han-Gung; Kuo, Ting-Shen; Tsai, Yi-Chou","Reductive Cleavage of Acyl Halides to Carboxylato Alkylidyne Complexes from Their Reactions with the Quintuply Bonded Dimolybdenum Amidinate","Organometallics","2016","35","10","1534","","10.1021/acs.organomet.6b00132","","","0.71073","MoKα","","0.0993","0.0498","","","0.0862","0.1037","","","","","","1.025","","","","has coordinates","237616","2020-10-21","18:00:00",""
"4088499","13.0258","0.0019","14.299","0.002","19.963","0.003","83.341","0.002","80.195","0.002","80.632","0.002","3600.1","0.9","200","2","200","2","","","","","","","","6","P -1","-P 1","2","","","","- C75.6 H111 Cl2 Mo2 N4 O4.9 -","- C65 H82 Cl2 Mo2 N4 O2 -","- C130 H164 Cl4 Mo4 N8 O4 -","2","1","","Harisomayajula, N. V. Satyachand; Chen, Han-Gung; Kuo, Ting-Shen; Tsai, Yi-Chou","Reductive Cleavage of Acyl Halides to Carboxylato Alkylidyne Complexes from Their Reactions with the Quintuply Bonded Dimolybdenum Amidinate","Organometallics","2016","35","10","1534","","10.1021/acs.organomet.6b00132","","","0.71073","MoKα","","0.0555","0.0466","","","0.1463","0.1533","","","","","","1.165","","","","has coordinates","237616","2020-10-21","18:00:00",""
"4088500","59.79","0.04","11.819","0.008","45.08","0.03","90","","121.509","0.006","90","","27159","3","200","2","200","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C69 H92 Cl2 Mo2 N4 O3 -","- C65 H82 Cl2 Mo2 N4 O2 -","- C1040 H1312 Cl32 Mo32 N64 O32 -","16","2","","Harisomayajula, N. V. Satyachand; Chen, Han-Gung; Kuo, Ting-Shen; Tsai, Yi-Chou","Reductive Cleavage of Acyl Halides to Carboxylato Alkylidyne Complexes from Their Reactions with the Quintuply Bonded Dimolybdenum Amidinate","Organometallics","2016","35","10","1534","","10.1021/acs.organomet.6b00132","","","0.71073","MoKα","","0.2582","0.084","","","0.1823","0.2244","","","","","","0.857","","","","has coordinates","237616","2020-10-21","18:00:00",""
"4088501","12.92","0.006","13.905","0.006","20.31","0.01","83.858","0.008","80.605","0.007","82.704","0.011","3557","3","200","2","200","2","","","","","","","","7","P -1","-P 1","2","","","","- C68 H90 Br Cl Mo2 N4 O3 -","- C64 H80 Br Cl Mo2 N4 O2 -","- C128 H160 Br2 Cl2 Mo4 N8 O4 -","2","1","","Harisomayajula, N. V. Satyachand; Chen, Han-Gung; Kuo, Ting-Shen; Tsai, Yi-Chou","Reductive Cleavage of Acyl Halides to Carboxylato Alkylidyne Complexes from Their Reactions with the Quintuply Bonded Dimolybdenum Amidinate","Organometallics","2016","35","10","1534","","10.1021/acs.organomet.6b00132","","","0.71073","MoKα","","0.1344","0.0729","","","0.2007","0.2234","","","","","","0.955","","","","has coordinates,has disorder","237616","2020-10-21","18:00:00",""
"4088502","11.4489","0.0008","13.0431","0.0008","21.9598","0.0015","99.594","0.001","92.255","0.001","107.624","0.001","3067.5","0.4","200","2","200","2","","","","","","","","6","P -1","-P 1","2","","","","- C132 H166 F4 Mo4 N8 O5 -","- C132 H166 F4 Mo4 N8 O5 -","- C132 H166 F4 Mo4 N8 O5 -","1","0.5","","Harisomayajula, N. V. Satyachand; Chen, Han-Gung; Kuo, Ting-Shen; Tsai, Yi-Chou","Reductive Cleavage of Acyl Halides to Carboxylato Alkylidyne Complexes from Their Reactions with the Quintuply Bonded Dimolybdenum Amidinate","Organometallics","2016","35","10","1534","","10.1021/acs.organomet.6b00132","","","0.71073","MoKα","","0.05","0.0347","","","0.1045","0.1361","","","","","","1.163","","","","has coordinates,has disorder","237616","2020-10-21","18:00:00",""
"4088503","8.616","0.0017","8.9487","0.0016","15.58","0.003","90","","91.808","0.002","90","","1200.7","0.4","93","","93","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C21 H30 F6 Ir N2 Sb -","- C21 H30 F6 Ir N2 Sb -","- C42 H60 F12 Ir2 N4 Sb2 -","2","1","","Sato, Yasuhiro; Kayaki, Yoshihito; Ikariya, Takao","Cationic Iridium and Rhodium Complexes with C‒N Chelating Primary Benzylic Amine Ligands as Potent Catalysts for Hydrogenation of Unsaturated Carbon‒Nitrogen Bonds","Organometallics","2016","35","9","1257","","10.1021/acs.organomet.6b00133","","","0.7107","MoKα","","","0.0312","","","","0.088","","","","","","1","","","","has coordinates","237619","2020-10-21","18:00:00",""
"4088504","27.299","0.0011","11.0883","0.0005","20.9653","0.001","90","","106.591","0.001","90","","6082","0.5","93","","93","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C31 H34 F6 Ir N2 Sb -","- C31 H34 F6 Ir N2 Sb -","- C248 H272 F48 Ir8 N16 Sb8 -","8","2","","Sato, Yasuhiro; Kayaki, Yoshihito; Ikariya, Takao","Cationic Iridium and Rhodium Complexes with C‒N Chelating Primary Benzylic Amine Ligands as Potent Catalysts for Hydrogenation of Unsaturated Carbon‒Nitrogen Bonds","Organometallics","2016","35","9","1257","","10.1021/acs.organomet.6b00133","","","0.71075","MoKα","","","0.0439","","","","0.1095","","","","","","1","","","","has coordinates","237619","2020-10-21","18:00:00",""
"4088505","8.502","0.005","11.007","0.006","13.633","0.007","96.292","0.006","93.694","0.008","106.951","0.006","1206.8","1.2","123","","123","","","","","","","","","6","P -1","-P 1","2","","","","- C21 H30 F6 N2 Rh Sb -","- C21 H30 F6 N2 Rh Sb -","- C42 H60 F12 N4 Rh2 Sb2 -","2","1","","Sato, Yasuhiro; Kayaki, Yoshihito; Ikariya, Takao","Cationic Iridium and Rhodium Complexes with C‒N Chelating Primary Benzylic Amine Ligands as Potent Catalysts for Hydrogenation of Unsaturated Carbon‒Nitrogen Bonds","Organometallics","2016","35","9","1257","","10.1021/acs.organomet.6b00133","","","0.7107","MoKα","","","0.0401","","","","0.1148","","","","","","1","","","","has coordinates","237619","2020-10-21","18:00:00",""
"4088506","17.7331","0.0019","17.5251","0.0019","19.791","0.002","90","","90","","90","","6150.5","1.1","93","","93","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C31 H34 F6 N2 Rh Sb -","- C31 H34 F6 N2 Rh Sb -","- C248 H272 F48 N16 Rh8 Sb8 -","8","1","","Sato, Yasuhiro; Kayaki, Yoshihito; Ikariya, Takao","Cationic Iridium and Rhodium Complexes with C‒N Chelating Primary Benzylic Amine Ligands as Potent Catalysts for Hydrogenation of Unsaturated Carbon‒Nitrogen Bonds","Organometallics","2016","35","9","1257","","10.1021/acs.organomet.6b00133","","","0.71075","MoKα","","","0.0618","","","","0.1286","","","","","","1","","","","has coordinates","237619","2020-10-21","18:00:00",""
"4088507","13.1952","0.0007","13.3123","0.0008","13.7637","0.0008","64.428","0.001","65.059","0.001","87.802","0.001","1946.75","0.19","210","2","210","2","","","","","","","","5","P -1","-P 1","2","","","","- C78 H32 Au2 F30 P2 -","- C39.5 H19 Au Cl F15 O P -","- C79 H38 Au2 Cl2 F30 O2 P2 -","2","1","","Fernández-Moreira, Vanesa; Cámara, Jéssica; Smirnova, Ekaterina S.; Koshevoy, Igor O.; Laguna, Antonio; Tunik, Sergey P.; Blanco, M. Carmen; Gimeno, M. Concepción","Tuning the Energy Emission from Violet to Yellow with Bidentate Phosphine Gold(III) Complexes","Organometallics","2016","35","8","1141","","10.1021/acs.organomet.6b00135","","","0.71073","MoKα","","0.0439","0.0343","","","0.1131","0.1161","","","","","","1.119","","","","has coordinates,has disorder","237621","2020-10-21","18:00:00",""
"4088508","12.965","0.003","13.871","0.003","16.094","0.003","90","","91.92","0.03","90","","2892.7","1.1","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C64 H20 Au2 F30 P2 -","- C64 H20 Au2 F30 P2 -","- C128 H40 Au4 F60 P4 -","2","0.5","","Fernández-Moreira, Vanesa; Cámara, Jéssica; Smirnova, Ekaterina S.; Koshevoy, Igor O.; Laguna, Antonio; Tunik, Sergey P.; Blanco, M. Carmen; Gimeno, M. Concepción","Tuning the Energy Emission from Violet to Yellow with Bidentate Phosphine Gold(III) Complexes","Organometallics","2016","35","8","1141","","10.1021/acs.organomet.6b00135","","","0.71073","MoKα","","0.0667","0.0597","","","0.1521","0.1604","","","","","","1.077","","","","has coordinates","237622","2020-10-21","18:00:00",""
"4088509","13.391","0.003","10.186","0.002","30.881","0.006","90","","100.47","0.03","90","","4142.1","1.5","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C47 H24 Au F15 P -","- C47 H24 Au F15 P -","- C188 H96 Au4 F60 P4 -","4","1","","Fernández-Moreira, Vanesa; Cámara, Jéssica; Smirnova, Ekaterina S.; Koshevoy, Igor O.; Laguna, Antonio; Tunik, Sergey P.; Blanco, M. Carmen; Gimeno, M. Concepción","Tuning the Energy Emission from Violet to Yellow with Bidentate Phosphine Gold(III) Complexes","Organometallics","2016","35","8","1141","","10.1021/acs.organomet.6b00135","","","0.71073","MoKα","","0.0375","0.0361","","","0.0743","0.0747","","","","","","1.378","","","","has coordinates","237624","2020-10-21","18:00:00",""
"4088510","12.94","0.003","17.291","0.004","19.089","0.004","73.76","0.03","82.66","0.03","80.11","0.03","4025.3","1.7","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C88 H56 Au2 F30 P2 -","- C88 H49 Au2 F30 P2 -","- C176 H98 Au4 F60 P4 -","2","1","","Fernández-Moreira, Vanesa; Cámara, Jéssica; Smirnova, Ekaterina S.; Koshevoy, Igor O.; Laguna, Antonio; Tunik, Sergey P.; Blanco, M. Carmen; Gimeno, M. Concepción","Tuning the Energy Emission from Violet to Yellow with Bidentate Phosphine Gold(III) Complexes","Organometallics","2016","35","8","1141","","10.1021/acs.organomet.6b00135","","","0.71073","MoKα","","0.0262","0.0233","","","0.0589","0.0607","","","","","","1.037","","","","has coordinates","237625","2020-10-21","18:00:00",""
"4088511","9.1099","0.0007","14.3425","0.0009","15.8586","0.0011","90","","91.585","0.002","90","","2071.3","0.3","93","2","93","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","2","","- C20 H30 Cl O4 Rh -","- C20 H30 Cl O4 Rh -","- C80 H120 Cl4 O16 Rh4 -","4","1","","Shibata, Yu; Kudo, Eiji; Sugiyama, Haruki; Uekusa, Hidehiro; Tanaka, Ken","Facile Generation and Isolation of π-Allyl Complexes from Aliphatic Alkenes and an Electron-Deficient Rh(III) Complex: Key Intermediates of Allylic C‒H Functionalization","Organometallics","2016","35","10","1547","","10.1021/acs.organomet.6b00143","","","0.71075","MoKα","","0.064","0.0543","","","0.1261","0.1304","","","","","","1.087","","","","has coordinates,has disorder","237627","2020-10-21","18:00:00",""
"4088512","10.6529","0.0006","17.1135","0.0003","21.5803","0.0013","90","","134.125","0.011","90","","2824.1","0.6","100","0.2","100","0.2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C25 H37 Cl2 N3 O Pd S -","- C25 H37 Cl2 N3 O Pd S -","- C100 H148 Cl8 N12 O4 Pd4 S4 -","4","1","","Mikhaylov, Vladimir N.; Sorokoumov, Viktor N.; Korvinson, Kirill A.; Novikov, Alexander S.; Balova, Irina A.","Synthesis and Simple Immobilization of Palladium(II) Acyclic Diaminocarbene Complexes on Polystyrene Support as Efficient Catalysts for Sonogashira and Suzuki‒Miyaura Cross-Coupling","Organometallics","2016","35","11","1684","","10.1021/acs.organomet.6b00144","","","1.5418","CuKα","","0.0423","0.032","","","0.0709","0.0782","","","","","","0.924","","","","has coordinates,has disorder","237628","2020-10-21","18:00:00",""
"4088513","9.785","0.0005","11.2806","0.0003","14.3842","0.0007","96.504","0.003","99.873","0.004","100.678","0.003","1519.79","0.12","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H40 Cl2 N4 Pd -","- C28 H40 Cl2 N4 Pd -","- C56 H80 Cl4 N8 Pd2 -","2","1","","Mikhaylov, Vladimir N.; Sorokoumov, Viktor N.; Korvinson, Kirill A.; Novikov, Alexander S.; Balova, Irina A.","Synthesis and Simple Immobilization of Palladium(II) Acyclic Diaminocarbene Complexes on Polystyrene Support as Efficient Catalysts for Sonogashira and Suzuki‒Miyaura Cross-Coupling","Organometallics","2016","35","11","1684","","10.1021/acs.organomet.6b00144","","","0.71073","MoKα","","0.0267","0.0237","","","0.0713","0.0733","","","","","","0.944","","","","has coordinates","237628","2020-10-21","18:00:00",""
"4088514","11.28","0.0005","17.652","0.0008","19.0498","0.0006","90","","90","","90","","3793.1","0.3","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C18 H22 Cl2 N2 Pd -","- C18 H22 Cl2 N2 Pd -","- C144 H176 Cl16 N16 Pd8 -","8","1","","Mikhaylov, Vladimir N.; Sorokoumov, Viktor N.; Korvinson, Kirill A.; Novikov, Alexander S.; Balova, Irina A.","Synthesis and Simple Immobilization of Palladium(II) Acyclic Diaminocarbene Complexes on Polystyrene Support as Efficient Catalysts for Sonogashira and Suzuki‒Miyaura Cross-Coupling","Organometallics","2016","35","11","1684","","10.1021/acs.organomet.6b00144","","","0.7107","MoKα","","0.0413","0.0291","","","0.0586","0.0646","","","","","","1.067","","","","has coordinates","237628","2020-10-21","18:00:00",""
"4088515","11.9837","0.0004","13.0538","0.0004","19.8023","0.0006","90.812","0.002","97.791","0.002","114.377","0.003","2787.07","0.17","150","","150","","","","","","","","","6","P -1","-P 1","2","","","","- C69.5 H57.5 Au Cl2.5 O3 P -","- C69.5 H57.5 Au Cl2.5 O3 P -","- C139 H115 Au2 Cl5 O6 P2 -","2","1","","Doherty, Simon; Knight, Julian G.; Perry, Daniel O.; Ward, Nicholas A. B.; Bittner, Dror M.; McFarlane, William; Wills, Corinne; Probert, Michael R.","Triaryl-Like MONO-, BIS-, and TRISKITPHOS Phosphines: Synthesis, Solution NMR Studies, and a Comparison in Gold-Catalyzed Carbon‒Heteroatom Bond Forming 5-exo-dig and 6-endo-dig Cyclizations","Organometallics","2016","35","9","1265","","10.1021/acs.organomet.6b00146","","x-ray","0.71073","MoKα","","0.0392","0.0326","","","0.0782","0.0822","","","","","","1.045","","","","has coordinates,has disorder","237631","2020-10-21","18:00:00",""
"4088516","11.2812","0.0003","15.2705","0.0003","16.0309","0.0003","90","","99.43","0.002","90","","2724.32","0.1","150","","150","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C29 H22 Au Cl4 P -","- C29 H22 Au Cl4 P -","- C116 H88 Au4 Cl16 P4 -","4","1","","Doherty, Simon; Knight, Julian G.; Perry, Daniel O.; Ward, Nicholas A. B.; Bittner, Dror M.; McFarlane, William; Wills, Corinne; Probert, Michael R.","Triaryl-Like MONO-, BIS-, and TRISKITPHOS Phosphines: Synthesis, Solution NMR Studies, and a Comparison in Gold-Catalyzed Carbon‒Heteroatom Bond Forming 5-exo-dig and 6-endo-dig Cyclizations","Organometallics","2016","35","9","1265","","10.1021/acs.organomet.6b00146","","","0.71073","MoKα","","0.0302","0.0231","","","0.0476","0.0508","","","","","","1.076","","","","has coordinates","237631","2020-10-21","18:00:00",""
"4088517","13.5237","0.0006","16.592","0.0007","15.2157","0.0006","90","","110.098","0.004","90","","3206.3","0.2","150","","150","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C35 H26 Au Cl4 P -","- C34.9999 H25.9999 Au Cl3.9997 P -","- C140 H104 Au4 Cl15.9988 P4 -","4","1","","Doherty, Simon; Knight, Julian G.; Perry, Daniel O.; Ward, Nicholas A. B.; Bittner, Dror M.; McFarlane, William; Wills, Corinne; Probert, Michael R.","Triaryl-Like MONO-, BIS-, and TRISKITPHOS Phosphines: Synthesis, Solution NMR Studies, and a Comparison in Gold-Catalyzed Carbon‒Heteroatom Bond Forming 5-exo-dig and 6-endo-dig Cyclizations","Organometallics","2016","35","9","1265","","10.1021/acs.organomet.6b00146","","","0.71073","MoKα","","0.0366","0.0273","","","0.0715","0.0729","","","","","","1.078","","","","has coordinates,has disorder","237631","2020-10-21","18:00:00",""
"4088518","13.6875","0.0003","18.8693","0.0003","17.1115","0.0004","90","","105.083","0.002","90","","4267.2","0.16","150","","150","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C51 H36 Au Cl4 P -","- C51 H36 Au Cl4 P -","- C204 H144 Au4 Cl16 P4 -","4","1","","Doherty, Simon; Knight, Julian G.; Perry, Daniel O.; Ward, Nicholas A. B.; Bittner, Dror M.; McFarlane, William; Wills, Corinne; Probert, Michael R.","Triaryl-Like MONO-, BIS-, and TRISKITPHOS Phosphines: Synthesis, Solution NMR Studies, and a Comparison in Gold-Catalyzed Carbon‒Heteroatom Bond Forming 5-exo-dig and 6-endo-dig Cyclizations","Organometallics","2016","35","9","1265","","10.1021/acs.organomet.6b00146","","","0.71073","MoKα","","0.0414","0.0315","","","0.0752","0.0812","","","","","","1.037","","","","has coordinates,has disorder","237631","2020-10-21","18:00:00",""
"4088519","13.1207","0.0011","21.9524","0.0017","18.5508","0.0015","90","","94.508","0.009","90","","5326.7","0.7","150","2","150","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C68 H49 Cl4 O P -","- C68 H49 Cl4 O P -","- C272 H196 Cl16 O4 P4 -","4","1","","Doherty, Simon; Knight, Julian G.; Perry, Daniel O.; Ward, Nicholas A. B.; Bittner, Dror M.; McFarlane, William; Wills, Corinne; Probert, Michael R.","Triaryl-Like MONO-, BIS-, and TRISKITPHOS Phosphines: Synthesis, Solution NMR Studies, and a Comparison in Gold-Catalyzed Carbon‒Heteroatom Bond Forming 5-exo-dig and 6-endo-dig Cyclizations","Organometallics","2016","35","9","1265","","10.1021/acs.organomet.6b00146","","x-ray","0.71073","MoKα","","0.0712","0.0503","","","0.1169","0.1331","","","","","","1.031","","","","has coordinates,has disorder","237631","2020-10-21","18:00:00",""
"4088520","10.643","0.004","10.792","0.004","20.226","0.007","81.289","0.007","89.569","0.007","61.724","0.006","2016.8","1.3","100","0.5","100","0.5","","","","","","","","4","P -1","-P 1","2","hannr02","","","- C27 H63 Sb Si6 -","- C27 H63 Sb Si6 -","- C54 H126 Sb2 Si12 -","2","1","","Rightmire, Nicholas R.; Bruns, David L.; Hanusa, Timothy P.; Brennessel, William W.","Mechanochemical Influence on the Stereoselectivity of Halide Metathesis: Synthesis of Group 15 Tris(allyl) Complexes","Organometallics","2016","35","11","1698","","10.1021/acs.organomet.6b00151","","","0.71073","MoKα","","0.0864","0.0675","","","0.1557","0.1657","","","","","","1.123","","","","has coordinates,has disorder","237633","2020-10-21","18:00:00",""
"4088521","10.539","0.002","10.791","0.002","19.921","0.004","99.233","0.004","90.021","0.004","118.479","0.004","1957.9","0.7","100","0.5","100","0.5","","","","","","","","4","P -1","-P 1","2","hannr04","","","- C27 H63 As Si6 -","- C27 H63 As Si6 -","- C54 H126 As2 Si12 -","2","1","","Rightmire, Nicholas R.; Bruns, David L.; Hanusa, Timothy P.; Brennessel, William W.","Mechanochemical Influence on the Stereoselectivity of Halide Metathesis: Synthesis of Group 15 Tris(allyl) Complexes","Organometallics","2016","35","11","1698","","10.1021/acs.organomet.6b00151","","","0.71073","MoKα","","0.0915","0.0493","","","0.0933","0.1067","","","","","","1.011","","","","has coordinates","237635","2020-10-21","18:00:00",""
"4088522","9.9177","0.0005","10.0942","0.0005","11.7946","0.0005","81.813","0.004","83.686","0.004","77.774","0.004","1138.34","0.1","223","2","223","2","","","","","","","","6","P -1","-P 1","2","","","","- C40 H40 Al2 Cl8 N2 O8 -","- C40 H40 Al2 Cl8 N2 O8 -","- C40 H40 Al2 Cl8 N2 O8 -","1","0.5","","Gao, Pengfei; Zhao, Zhiwen; Chen, Lijuan; Yuan, Dan; Yao, Yingming","Dinuclear Aluminum Poly(phenolate) Complexes as Efficient Catalysts for Cyclic Carbonate Synthesis","Organometallics","2016","35","11","1707","","10.1021/acs.organomet.6b00153","","","0.71073","MoKα","","0.0689","0.0599","","","0.1588","0.1679","","","","","","1.05","","","","has coordinates","237637","2020-10-21","18:00:00",""
"4088523","14.9781","0.0004","16.2229","0.0005","19.5208","0.0005","96.072","0.002","110.034","0.002","93.332","0.002","4408.6","0.2","223","2","223","2","","","","","","","","5","P -1","-P 1","2","","","","- C180 H264 Al4 N4 O21 -","- C180 H192 Al4 N4 O21 -","- C180 H192 Al4 N4 O21 -","1","0.5","","Gao, Pengfei; Zhao, Zhiwen; Chen, Lijuan; Yuan, Dan; Yao, Yingming","Dinuclear Aluminum Poly(phenolate) Complexes as Efficient Catalysts for Cyclic Carbonate Synthesis","Organometallics","2016","35","11","1707","","10.1021/acs.organomet.6b00153","","","0.71073","MoKα","","0.1218","0.0892","","","0.2502","0.2816","","","","","","1.034","","","","has coordinates,has disorder","237637","2020-10-21","18:00:00",""
"4088524","8.9954","0.0004","20.3119","0.0008","17.7366","0.0007","90","","93.99","0.003","90","","3232.9","0.2","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C37 H41 Cl N P Pd -","- C37 H41 Cl N P Pd -","- C148 H164 Cl4 N4 P4 Pd4 -","4","1","","Fu, Wai Chung; Zhou, Zhongyuan; Kwong, Fuk Yee","Preparation of a Highly Congested Carbazoyl-Derived P,N-Type Phosphine Ligand for Acetone Monoarylations","Organometallics","2016","35","10","1553","","10.1021/acs.organomet.6b00154","","","0.71073","MoKα","","0.1286","0.0503","","","0.0891","0.1131","","","","","","1","","","","has coordinates","237639","2020-10-21","18:00:00",""
"4088525","13.98","0.003","18.462","0.004","13.002","0.003","90","","97.544","0.007","90","","3326.8","1.3","299","2","299","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C38 H50 N P -","- C38 H50 N P -","- C152 H200 N4 P4 -","4","1","","Fu, Wai Chung; Zhou, Zhongyuan; Kwong, Fuk Yee","Preparation of a Highly Congested Carbazoyl-Derived P,N-Type Phosphine Ligand for Acetone Monoarylations","Organometallics","2016","35","10","1553","","10.1021/acs.organomet.6b00154","","","0.71073","MoKα","","0.1336","0.0717","","","0.1616","0.1885","","","","","","1.003","","","","has coordinates","237640","2020-10-21","18:00:00",""
"4088526","19.2923","0.0005","15.5647","0.0005","17.7431","0.0004","90","","93.648","0.002","90","","5317.1","0.3","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C50 H76 Cl2 P4 Rh2 -","- C50 H76 Cl2 P4 Rh2 -","- C200 H304 Cl8 P16 Rh8 -","4","1","","Logan, Jessamyn R.; Piers, Warren E.; Borau-Garcia, Javier; Spasyuk, Denis M.","Ligand Attachment Chemistry in the Preparation of PCsp3P and PCsp2P Complexes of Rhodium","Organometallics","2016","35","9","1279","","10.1021/acs.organomet.6b00155","","","0.71073","MoKα","","0.1026","0.0813","","","0.1838","0.1989","","","","","","1.205","","","","has coordinates","237642","2020-10-21","18:00:00",""
"4088527","12.3021","0.0004","12.5264","0.0003","26.0389","0.0007","90","","134.925","0.001","90","","2841.06","0.15","173","2","173","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C52 H76 F6 O6 P4 Rh2 S2 -","- C52 H76 F6 O6 P4 Rh2 S2 -","- C104 H152 F12 O12 P8 Rh4 S4 -","2","0.5","","Logan, Jessamyn R.; Piers, Warren E.; Borau-Garcia, Javier; Spasyuk, Denis M.","Ligand Attachment Chemistry in the Preparation of PCsp3P and PCsp2P Complexes of Rhodium","Organometallics","2016","35","9","1279","","10.1021/acs.organomet.6b00155","","","0.71073","MoKα","","0.0755","0.0548","","","0.0986","0.1073","","","","","","1.109","","","","has coordinates","237642","2020-10-21","18:00:00",""
"4088528","17.469","","12.732","","15.832","","90","","90","","90","","3521.28","","173","2","173","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C29 H46 Cl P2 Rh -","- C29 H46 Cl P2 Rh -","- C116 H184 Cl4 P8 Rh4 -","4","1","","Logan, Jessamyn R.; Piers, Warren E.; Borau-Garcia, Javier; Spasyuk, Denis M.","Ligand Attachment Chemistry in the Preparation of PCsp3P and PCsp2P Complexes of Rhodium","Organometallics","2016","35","9","1279","","10.1021/acs.organomet.6b00155","","","1.54178","CuKα","","0.0247","0.0241","","","0.0611","0.0614","","","","","","1.019","","","","has coordinates","237642","2020-10-21","18:00:00",""
"4088529","31.7741","0.0016","20.8238","0.0009","34.6631","0.0017","90","","90","","90","","22935.1","1.9","173","2","173","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C90 H138 F9 O9 P6 Rh3 S3 -","- C90 H138 F9 O9 P6 Rh3 S3 -","- C720 H1104 F72 O72 P48 Rh24 S24 -","8","1","","Logan, Jessamyn R.; Piers, Warren E.; Borau-Garcia, Javier; Spasyuk, Denis M.","Ligand Attachment Chemistry in the Preparation of PCsp3P and PCsp2P Complexes of Rhodium","Organometallics","2016","35","9","1279","","10.1021/acs.organomet.6b00155","","","1.54178","CuKα","","0.133","0.074","","","0.172","0.1973","","","","","","0.888","","","","has coordinates,has disorder","237642","2020-10-21","18:00:00",""
"4088530","8.571","0.003","22.777","0.007","14.932","0.004","90","","96.735","0.005","90","","2894.9","1.6","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C29 H44 Cl P2 Rh -","- C29 H44 Cl P2 Rh -","- C116 H176 Cl4 P8 Rh4 -","4","1","","Logan, Jessamyn R.; Piers, Warren E.; Borau-Garcia, Javier; Spasyuk, Denis M.","Ligand Attachment Chemistry in the Preparation of PCsp3P and PCsp2P Complexes of Rhodium","Organometallics","2016","35","9","1279","","10.1021/acs.organomet.6b00155","","","1.54178","CuKα","","0.0386","0.0369","","","0.0895","0.0908","","","","","","1.038","","","","has coordinates,has disorder","237642","2020-10-21","18:00:00",""
"4088531","9.3694","0.0007","24.0129","0.0017","19.4552","0.0012","90","","116.927","0.003","90","","3902.6","0.5","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C44 H51 K O6 Si -","- C44 H51 K O6 Si -","- C176 H204 K4 O24 Si4 -","4","1","","Leich, Valeri; Spaniol, Thomas P.; Okuda, Jun","Potassium-Catalyzed Hydrosilylation of Activated Olefins: Evidence for a Silyl Migration Mechanism","Organometallics","2016","35","9","1179","","10.1021/acs.organomet.6b00160","","","0.71073","MoKα","","0.0592","0.0393","","","0.0775","0.084","","","","","","0.907","","","","has coordinates","237645","2020-10-21","18:00:00",""
"4088532","8.1111","0.0011","15.469","0.002","18.145","0.002","90","","90","","90","","2276.7","0.5","293","2","293","2","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C20 H28 Cl2 Co Fe N O P -","- C20 H28 Cl2 Co Fe N O P -","- C80 H112 Cl8 Co4 Fe4 N4 O4 P4 -","4","1","","Yao, Wubing; Fang, Huaquan; Peng, Sihan; Wen, Huanan; Zhang, Lei; Hu, Aiguo; Huang, Zheng","Cobalt-Catalyzed Borylation of Aryl Halides and Pseudohalides","Organometallics","2016","35","10","1559","","10.1021/acs.organomet.6b00161","","","0.71073","MoKα","","0.0728","0.0558","","","0.1004","0.1064","","","","","","1.033","","","","has coordinates","237647","2020-10-21","18:00:00",""
"4088533","10.9345","0.0015","14.2498","0.0019","16.503","0.002","90","","90","","90","","2571.4","0.6","293","2","293","2","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C26 H24 Cl2 Co Fe N O P -","- C26 H24 Cl2 Co Fe N O P -","- C104 H96 Cl8 Co4 Fe4 N4 O4 P4 -","4","1","","Yao, Wubing; Fang, Huaquan; Peng, Sihan; Wen, Huanan; Zhang, Lei; Hu, Aiguo; Huang, Zheng","Cobalt-Catalyzed Borylation of Aryl Halides and Pseudohalides","Organometallics","2016","35","10","1559","","10.1021/acs.organomet.6b00161","","","0.71073","MoKα","","0.0503","0.0445","","","0.0926","0.0947","","","","","","1.097","","","","has coordinates","237649","2020-10-21","18:00:00",""
"4088534","9.5363","0.0004","10.2016","0.0004","14.0506","0.0006","96.9349","0.0016","97.0991","0.0017","107.722","0.0016","1273.81","0.09","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C56 H56 Br4 N4 Ni2 O2 -","- C56 H56 Br4 N4 Ni2 O2 -","- C56 H56 Br4 N4 Ni2 O2 -","1","0.5","","Chen, Zhou; Allen, Kate E.; White, Peter S.; Daugulis, Olafs; Brookhart, Maurice","Synthesis of Branched Polyethylene with “Half-Sandwich” Pyridine-Imine Nickel Complexes","Organometallics","2016","35","11","1756","","10.1021/acs.organomet.6b00165","","","1.54178","CuKα","","0.0268","0.0254","","","0.064","0.0648","","","","","","1.082","","","","has coordinates","237651","2020-10-21","18:00:00",""
"4088535","12.5688","0.0012","12.5688","0.0012","43.147","0.005","90","","90","","120","","5902.9","1.1","130","2","130","2","","","","","","","","7","R 3 c :H","R 3 -2""c","161","","","","- C32 H53 Cl3 Li N6 O4 Sc -","- C31.97 H52.92 Cl3 Li N6 O4 Sc -","- C191.82 H317.52 Cl18 Li6 N36 O24 Sc6 -","6","0.333333","","Li, Tengfei; Zhang, Guangchao; Guo, Jingjing; Wang, Shaowu; Leng, Xuebing; Chen, Yaofeng","Tris(pyrazolyl)methanide Complexes of Trivalent Rare-Earth Metals","Organometallics","2016","35","10","1565","","10.1021/acs.organomet.6b00166","","","0.71073","MoKα","","0.0759","0.0612","","","0.1735","0.1886","","","","","","1.061","","","","has coordinates","237654","2020-10-21","18:00:00",""
"4088536","12.554","0.003","12.554","0.003","43.637","0.011","90","","90","","120","","5956","3","130","2","130","2","","","","","","","","7","R 3 c :H","R 3 -2""c","161","","","","- C32 H53 Cl3 Li N6 O4 Y -","- C31.97 H52.92 Cl3 Li N6 O4 Y -","- C191.82 H317.52 Cl18 Li6 N36 O24 Y6 -","6","0.333333","","Li, Tengfei; Zhang, Guangchao; Guo, Jingjing; Wang, Shaowu; Leng, Xuebing; Chen, Yaofeng","Tris(pyrazolyl)methanide Complexes of Trivalent Rare-Earth Metals","Organometallics","2016","35","10","1565","","10.1021/acs.organomet.6b00166","","","0.71073","MoKα","","0.0971","0.0587","","","0.1414","0.1628","","","","","","1.009","","","","has coordinates","237654","2020-10-21","18:00:00",""
"4088537","12.5731","0.0012","12.5731","0.0012","43.468","0.004","90","","90","","120","","5950.9","1","133","2","133","2","","","","","","","","7","R 3 c :H","R 3 -2""c","161","","","","- C32 H53 Cl3 Li Lu N6 O4 -","- C31.9996 H52.9992 Cl3 Li Lu N6 O4 -","- C191.998 H317.995 Cl18 Li6 Lu6 N36 O24 -","6","0.333333","","Li, Tengfei; Zhang, Guangchao; Guo, Jingjing; Wang, Shaowu; Leng, Xuebing; Chen, Yaofeng","Tris(pyrazolyl)methanide Complexes of Trivalent Rare-Earth Metals","Organometallics","2016","35","10","1565","","10.1021/acs.organomet.6b00166","","","0.71073","MoKα","","0.0464","0.028","","","0.0721","0.0814","","","","","","0.962","","","","has coordinates","237654","2020-10-21","18:00:00",""
"4088538","11.8719","0.0019","14.452","0.002","21.102","0.003","90","","106.097","0.003","90","","3478.6","0.9","130","2","130","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C28 H51 N6 O Si2 Y -","- C28 H51 N6 O Si2 Y -","- C112 H204 N24 O4 Si8 Y4 -","4","1","","Li, Tengfei; Zhang, Guangchao; Guo, Jingjing; Wang, Shaowu; Leng, Xuebing; Chen, Yaofeng","Tris(pyrazolyl)methanide Complexes of Trivalent Rare-Earth Metals","Organometallics","2016","35","10","1565","","10.1021/acs.organomet.6b00166","","","0.71073","MoKα","","0.115","0.0564","","","0.114","0.1335","","","","","","1.006","","","","has coordinates","237654","2020-10-21","18:00:00",""
"4088539","11.8087","0.0008","14.4867","0.001","21.0202","0.0014","90","","105.748","0.001","90","","3460.9","0.4","130","2","130","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C28 H51 Lu N6 O Si2 -","- C28 H51 Lu N6 O Si2 -","- C112 H204 Lu4 N24 O4 Si8 -","4","1","","Li, Tengfei; Zhang, Guangchao; Guo, Jingjing; Wang, Shaowu; Leng, Xuebing; Chen, Yaofeng","Tris(pyrazolyl)methanide Complexes of Trivalent Rare-Earth Metals","Organometallics","2016","35","10","1565","","10.1021/acs.organomet.6b00166","","","0.71073","MoKα","","0.0535","0.0323","","","0.0637","0.0709","","","","","","1.008","","","","has coordinates","237654","2020-10-21","18:00:00",""
"4088540","13.8939","0.0013","17.3468","0.0017","11.7131","0.0011","90","","90","","90","","2823","0.5","296","2","296.15","","","","","","","","","5","P m m n :2","-P 2ab 2a","59","","","","- C46 H66 Lu2 N16 Si -","- C47 H42 Lu2 N16 Si -","- C94 H84 Lu4 N32 Si2 -","2","0.25","","Li, Tengfei; Zhang, Guangchao; Guo, Jingjing; Wang, Shaowu; Leng, Xuebing; Chen, Yaofeng","Tris(pyrazolyl)methanide Complexes of Trivalent Rare-Earth Metals","Organometallics","2016","35","10","1565","","10.1021/acs.organomet.6b00166","","","0.71073","MoKα","","0.0553","0.0434","","","0.1111","0.1185","","","","","","1.069","","","","has coordinates,has disorder","237654","2020-10-21","18:00:00",""
"4088541","16.1948","0.0005","16.3153","0.0004","17.6171","0.0003","90","","91.417","0.002","90","","4653.4","0.2","152","2","152","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C42 H56 Ge2 Mn2 N4 O8 -","- C42 H56 Ge2 Mn2 N4 O8 -","- C168 H224 Ge8 Mn8 N16 O32 -","4","1","","Cabeza, Javier A.; García-Álvarez, Pablo; Gobetto, Roberto; González-Álvarez, Laura; Nervi, Carlo; Pérez-Carreño, Enrique; Polo, Diego","[MnBrL(CO)4] (L = Amidinatogermylene): Reductive Dimerization, Carbonyl Substitution, and Hydrolysis Reactions","Organometallics","2016","35","11","1761","","10.1021/acs.organomet.6b00168","","","1.5418","CuKα","","0.0572","0.0386","","","0.0854","0.0944","","","","","","1.005","","","","has coordinates","237656","2020-10-21","18:00:00",""
"4088542","14.8922","0.0004","11.6971","0.0003","17.5417","0.0004","90","","100.051","0.002","90","","3008.79","0.13","123","2","123","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C26 H28 Ge Mn2 N2 O9 -","- C26 H28 Ge Mn2 N2 O9 -","- C104 H112 Ge4 Mn8 N8 O36 -","4","1","","Cabeza, Javier A.; García-Álvarez, Pablo; Gobetto, Roberto; González-Álvarez, Laura; Nervi, Carlo; Pérez-Carreño, Enrique; Polo, Diego","[MnBrL(CO)4] (L = Amidinatogermylene): Reductive Dimerization, Carbonyl Substitution, and Hydrolysis Reactions","Organometallics","2016","35","11","1761","","10.1021/acs.organomet.6b00168","","","1.5418","CuKα","","0.0472","0.037","","","0.0895","0.095","","","","","","1.049","","","","has coordinates","237656","2020-10-21","18:00:00",""
"4088543","10.4964","0.0002","17.1705","0.0003","12.3471","0.0002","90","","111.44","0.002","90","","2071.31","0.07","123","2","123","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C18.5 H28 Br0.5 Ge Mn0.5 N2 O1.5 -","- C18.5 H28 Br0.5 Ge Mn0.5 N2 O1.5 -","- C74 H112 Br2 Ge4 Mn2 N8 O6 -","4","1","","Cabeza, Javier A.; García-Álvarez, Pablo; Gobetto, Roberto; González-Álvarez, Laura; Nervi, Carlo; Pérez-Carreño, Enrique; Polo, Diego","[MnBrL(CO)4] (L = Amidinatogermylene): Reductive Dimerization, Carbonyl Substitution, and Hydrolysis Reactions","Organometallics","2016","35","11","1761","","10.1021/acs.organomet.6b00168","","","1.5418","CuKα","","0.0288","0.0241","","","0.0537","0.0565","","","","","","1.035","","","","has coordinates,has disorder","237656","2020-10-21","18:00:00",""
"4088544","9.456","0.002","16.545","0.004","18.54","0.004","90","","92.705","0.003","90","","2897.3","1.1","100","2","100","2","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C25 H37 Br Ge Mn N3 O3 -","- C25 H37 Br Ge Mn N3 O3 -","- C100 H148 Br4 Ge4 Mn4 N12 O12 -","4","1","","Cabeza, Javier A.; García-Álvarez, Pablo; Gobetto, Roberto; González-Álvarez, Laura; Nervi, Carlo; Pérez-Carreño, Enrique; Polo, Diego","[MnBrL(CO)4] (L = Amidinatogermylene): Reductive Dimerization, Carbonyl Substitution, and Hydrolysis Reactions","Organometallics","2016","35","11","1761","","10.1021/acs.organomet.6b00168","","","0.71073","MoKα","","0.036","0.0312","","","0.068","0.0698","","","","","","1.004","","","","has coordinates,has disorder","237656","2020-10-21","18:00:00",""
"4088545","10.9752","0.0004","13.9014","0.0005","20.2708","0.0005","95.819","0.003","104.436","0.003","112.043","0.004","2709.89","0.19","123","2","123","2","","","","","","","","7","P -1","-P 1","2","","","","- C21 H32 Br Ge Mn N2 O6 -","- C21 H32 Br Ge Mn N2 O6 -","- C84 H128 Br4 Ge4 Mn4 N8 O24 -","4","2","","Cabeza, Javier A.; García-Álvarez, Pablo; Gobetto, Roberto; González-Álvarez, Laura; Nervi, Carlo; Pérez-Carreño, Enrique; Polo, Diego","[MnBrL(CO)4] (L = Amidinatogermylene): Reductive Dimerization, Carbonyl Substitution, and Hydrolysis Reactions","Organometallics","2016","35","11","1761","","10.1021/acs.organomet.6b00168","","","1.5418","CuKα","","0.0335","0.029","","","0.0771","0.0808","","","","","","1.033","","","","has coordinates","278158","2022-09-26","15:28:11",""
"4088546","14.5822","0.0015","13.5478","0.0014","38.859","0.004","90","","90","","90","","7676.9","1.4","296","2","296","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C66 H84 B22 Cl4 -","- C66 H84 B22 Cl4 -","- C264 H336 B88 Cl16 -","4","0.5","","Choi, Byung Hoon; Lee, Ji Hye; Hwang, Hyonseok; Lee, Kang Mun; Park, Myung Hwan","Novel Dimeric o-Carboranyl Triarylborane: Intriguing Ratiometric Color-Tunable Sensor via Aggregation-Induced Emission by Fluoride Anions","Organometallics","2016","35","11","1771","","10.1021/acs.organomet.6b00172","","","0.71073","MoKα","","0.1513","0.0948","","","0.2527","0.2698","","","","","","1.086","","","","has coordinates","237658","2020-10-21","18:00:00",""
"4088547","21.3146","0.0016","14.7729","0.0011","11.4903","0.0009","90","","96.186","0.005","90","","3597","0.5","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C28 H36 B20 Br2 -","- C28 H36 B20 Br2 -","- C112 H144 B80 Br8 -","4","0.5","","Choi, Byung Hoon; Lee, Ji Hye; Hwang, Hyonseok; Lee, Kang Mun; Park, Myung Hwan","Novel Dimeric o-Carboranyl Triarylborane: Intriguing Ratiometric Color-Tunable Sensor via Aggregation-Induced Emission by Fluoride Anions","Organometallics","2016","35","11","1771","","10.1021/acs.organomet.6b00172","","","0.71073","MoKα","","0.0811","0.041","","","0.098","0.1152","","","","","","1.005","","","","has coordinates","237660","2020-10-21","18:00:00",""
"4088548","12.441","0.0002","16.585","0.0003","21.628","0.0004","101.125","0.001","103.16","0.001","92.71","0.001","4244.27","0.13","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C87 H85 B F24 N4 O Ru -","- C87 H85 B F24 N4 O Ru -","- C174 H170 B2 F48 N8 O2 Ru2 -","2","1","","Riddlestone, Ian M.; McKay, David; Gutmann, Matthias J.; Macgregor, Stuart A.; Mahon, Mary F.; Sparkes, Hazel A.; Whittlesey, Michael K.","Isolation of [Ru(IPr)2(CO)H]+ (IPr = 1,3-Bis(2,6-diisopropylphenyl)imidazol-2-ylidene) and Reactivity toward E‒H (E = H, B) Bonds","Organometallics","2016","35","9","1301","","10.1021/acs.organomet.6b00173","","X-rays-AND-NEUTRONS","0.71073","MoKα","","0.0892","0.0674","","","0.1626","0.1664","","","","0","0","3.67","","","","has coordinates","237662","2020-10-21","18:00:00",""
"4088549","12.806","0.0002","16.987","0.0002","20.41","0.0002","96.989","0.001","100.098","0.001","92.328","0.001","4329.91","0.1","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C89 H85 B F24 N4 O3 Ru -","- C89 H85 B F24 N4 O3 Ru -","- C178 H170 B2 F48 N8 O6 Ru2 -","2","1","","Riddlestone, Ian M.; McKay, David; Gutmann, Matthias J.; Macgregor, Stuart A.; Mahon, Mary F.; Sparkes, Hazel A.; Whittlesey, Michael K.","Isolation of [Ru(IPr)2(CO)H]+ (IPr = 1,3-Bis(2,6-diisopropylphenyl)imidazol-2-ylidene) and Reactivity toward E‒H (E = H, B) Bonds","Organometallics","2016","35","9","1301","","10.1021/acs.organomet.6b00173","","","0.71073","MoKα","","0.0791","0.0504","","","0.1069","0.1209","","","","","","1.006","","","","has coordinates,has disorder","237662","2020-10-21","18:00:00",""
"4088550","14.1539","0.0003","37.3721","0.0008","16.8357","0.0003","90","","91.631","0.002","90","","8901.8","0.3","150","2","150","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C89 H95 B2 F24 N5 O Ru -","- C89 H95 B2 F24 N5 O Ru -","- C356 H380 B8 F96 N20 O4 Ru4 -","4","1","","Riddlestone, Ian M.; McKay, David; Gutmann, Matthias J.; Macgregor, Stuart A.; Mahon, Mary F.; Sparkes, Hazel A.; Whittlesey, Michael K.","Isolation of [Ru(IPr)2(CO)H]+ (IPr = 1,3-Bis(2,6-diisopropylphenyl)imidazol-2-ylidene) and Reactivity toward E‒H (E = H, B) Bonds","Organometallics","2016","35","9","1301","","10.1021/acs.organomet.6b00173","","x-ray","0.71073","MoKα","","0.0976","0.0604","","","0.1149","0.1284","","","","","","1.06","","","","has coordinates,has disorder","237662","2020-10-21","18:00:00",""
"4088551","13.5153","0.0002","17.5177","0.0003","21.2075","0.0004","112.376","0.0018","90.9046","0.0014","97.4923","0.0014","4591.59","0.15","150","2","150.15","","","","","","","","","7","P -1","-P 1","2","","","","- C93 H96 B2 F25 N5 O Ru -","- C87 H91 B2 F24 N5 O Ru -","- C174 H182 B4 F48 N10 O2 Ru2 -","2","1","","Riddlestone, Ian M.; McKay, David; Gutmann, Matthias J.; Macgregor, Stuart A.; Mahon, Mary F.; Sparkes, Hazel A.; Whittlesey, Michael K.","Isolation of [Ru(IPr)2(CO)H]+ (IPr = 1,3-Bis(2,6-diisopropylphenyl)imidazol-2-ylidene) and Reactivity toward E‒H (E = H, B) Bonds","Organometallics","2016","35","9","1301","","10.1021/acs.organomet.6b00173","","x-ray","0.71073","MoKα","","0.0455","0.0378","","","0.0926","0.0963","","","","","","1.055","","","","has coordinates,has disorder","237662","2020-10-21","18:00:00",""
"4088552","43.3892","0.0003","16.38469","0.00011","12.67092","0.00009","90","","90","","90","","9007.99","0.11","150.01","0.1","150.01","0.1","","","","","","","","7","P 21 21 2","P 2 2ab","18","","","","- C96 H90.5 B F25.5 N4 O Ru -","- C90 H85.5 B F24.5 N4 O Ru -","- C360 H342 B4 F98 N16 O4 Ru4 -","4","1","","Riddlestone, Ian M.; McKay, David; Gutmann, Matthias J.; Macgregor, Stuart A.; Mahon, Mary F.; Sparkes, Hazel A.; Whittlesey, Michael K.","Isolation of [Ru(IPr)2(CO)H]+ (IPr = 1,3-Bis(2,6-diisopropylphenyl)imidazol-2-ylidene) and Reactivity toward E‒H (E = H, B) Bonds","Organometallics","2016","35","9","1301","","10.1021/acs.organomet.6b00173","","x-ray","1.54184","CuKα","","0.0262","0.0254","","","0.0633","0.0638","","","","","","1.023","","","","has coordinates,has disorder","237662","2020-10-21","18:00:00",""
"4088553","14.8189","0.0001","19.564","0.0001","30.6463","0.0002","90","","90","","90","","8884.88","0.09","150","2","150","","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C93 H88 B2 F24 N4 O3 Ru -","- C93 H88 B2 F24 N4 O3 Ru -","- C372 H352 B8 F96 N16 O12 Ru4 -","4","1","","Riddlestone, Ian M.; McKay, David; Gutmann, Matthias J.; Macgregor, Stuart A.; Mahon, Mary F.; Sparkes, Hazel A.; Whittlesey, Michael K.","Isolation of [Ru(IPr)2(CO)H]+ (IPr = 1,3-Bis(2,6-diisopropylphenyl)imidazol-2-ylidene) and Reactivity toward E‒H (E = H, B) Bonds","Organometallics","2016","35","9","1301","","10.1021/acs.organomet.6b00173","","X-rays-AND-NEUTRONS","1.54184","CuKα","","0.0762","0.0747","","","0.1605","0.1613","","","","","","3.18","","","","has coordinates","237662","2020-10-21","18:00:00",""
"4088554","11.4633","0.0008","16.8758","0.0009","23.0794","0.0011","90","","100.523","0.003","90","","4389.7","0.4","173","2","173.15","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C40 Cl4 F6 Fe N P3 -","- C40 Cl4 F6 Fe N P3 -","- C160 Cl16 F24 Fe4 N4 P12 -","4","1","","Zhang, Fanjun; Jia, Jiong; Dong, Shuli; Wang, Wenguang; Tung, Chen-Ho","Hydride Transfer from Iron(II) Hydride Compounds to NAD(P)+ Analogues","Organometallics","2016","35","8","1151","","10.1021/acs.organomet.6b00179","","","0.71","synchrotron","","0.1285","0.0931","","","0.2737","0.3078","","","","","","1.08","","","","has coordinates","237665","2020-10-21","18:00:00",""
"4088555","14.982","0.006","15.1","0.006","17.37","0.008","90","","101.826","0.004","90","","3846","3","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C42 H42 F6 Fe N P3 -","- C42 H42 F6 Fe N P3 -","- C168 H168 F24 Fe4 N4 P12 -","4","1","","Zhang, Fanjun; Jia, Jiong; Dong, Shuli; Wang, Wenguang; Tung, Chen-Ho","Hydride Transfer from Iron(II) Hydride Compounds to NAD(P)+ Analogues","Organometallics","2016","35","8","1151","","10.1021/acs.organomet.6b00179","","","0.71073","MoKα","","0.0815","0.0527","","","0.1243","0.1433","","","","","","1.038","","","","has coordinates","237665","2020-10-21","18:00:00",""
"4088556","17.24","0.002","17.913","0.002","24.442","0.003","90","","90","","90","","7548.2","1.5","173","2","173.15","","","","","","","","","6","P c a b","-P 2bc 2ac","61","","","","- C37 B F4 Fe N P2 -","- C37 B F4 Fe N P2 -","- C296 B8 F32 Fe8 N8 P16 -","8","1","","Zhang, Fanjun; Jia, Jiong; Dong, Shuli; Wang, Wenguang; Tung, Chen-Ho","Hydride Transfer from Iron(II) Hydride Compounds to NAD(P)+ Analogues","Organometallics","2016","35","8","1151","","10.1021/acs.organomet.6b00179","","","0.71","synchrotron","","0.0755","0.0639","","","0.1701","0.1749","","","","","","1.6066","","","","has coordinates","237665","2020-10-21","18:00:00",""
"4088557","11.5166","0.0012","12.5602","0.0013","28.911","0.003","90","","97.456","0.006","90","","4146.6","0.7","173","2","173.15","","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C39 H68 B Cl2 F4 Fe N P2 -","- C39 H68 B Cl2 F4 Fe N P2 -","- C156 H272 B4 Cl8 F16 Fe4 N4 P8 -","4","1","","Zhang, Fanjun; Jia, Jiong; Dong, Shuli; Wang, Wenguang; Tung, Chen-Ho","Hydride Transfer from Iron(II) Hydride Compounds to NAD(P)+ Analogues","Organometallics","2016","35","8","1151","","10.1021/acs.organomet.6b00179","","","0.71","MoKα","","0.0737","0.051","","","0.1198","0.1333","","","","","","1.033","","","","has coordinates","237665","2020-10-21","18:00:00",""
"4088558","8.3811","0.0013","18.519","0.003","19.615","0.003","90.927","0.002","90.233","0.002","93.149","0.002","3039.4","0.8","173","2","173.15","","","","","","","","","4","P -1","-P 1","2","","","","- C36 H40 Fe P2 -","- C36 H40 Fe P2 -","- C144 H160 Fe4 P8 -","4","2","","Zhang, Fanjun; Jia, Jiong; Dong, Shuli; Wang, Wenguang; Tung, Chen-Ho","Hydride Transfer from Iron(II) Hydride Compounds to NAD(P)+ Analogues","Organometallics","2016","35","8","1151","","10.1021/acs.organomet.6b00179","","","0.71","MoKα","","0.1017","0.0938","","","0.2203","0.2242","","","","","","1.134","","","","has coordinates","252052","2020-10-21","18:00:00",""
"4088559","11.0278","0.0016","17.514","0.003","18.39","0.003","93.256","0.001","103.99","0.001","103.238","0.001","3331.2","0.9","296","2","296.15","","","","","","","","","5","P -1","-P 1","2","","","","- C40 H41 Fe O0.5 P2 -","- C40 H41 Fe O0.5 P2 -","- C160 H164 Fe4 O2 P8 -","4","2","","Zhang, Fanjun; Jia, Jiong; Dong, Shuli; Wang, Wenguang; Tung, Chen-Ho","Hydride Transfer from Iron(II) Hydride Compounds to NAD(P)+ Analogues","Organometallics","2016","35","8","1151","","10.1021/acs.organomet.6b00179","","","0.71","MoKα","","0.0809","0.0461","","","0.1019","0.1169","","","","","","0.972","","","","has coordinates","251896","2020-10-21","18:00:00",""
"4088560","11.6888","0.0003","10.5814","0.0002","24.0777","0.0005","90","","99.7823","0.0011","90","","2934.72","0.11","173","2","173.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C35 H Fe P2 -","- C35 H Fe P2 -","- C140 H4 Fe4 P8 -","4","1","","Zhang, Fanjun; Jia, Jiong; Dong, Shuli; Wang, Wenguang; Tung, Chen-Ho","Hydride Transfer from Iron(II) Hydride Compounds to NAD(P)+ Analogues","Organometallics","2016","35","8","1151","","10.1021/acs.organomet.6b00179","","","0.71","synchrotron","","0.054","0.0509","","","0.1505","0.152","","","","","","2.3065","","","","has coordinates","237665","2020-10-21","18:00:00",""
"4088561","8.8911","0.0002","10.513","0.0003","18.9627","0.0005","99.1226","0.0013","100.212","0.0012","98.7086","0.0012","1692.69","0.08","173","2","173.15","","","","","","","","","4","P -1","-P 1","2","","","","- C36 H64 Fe P2 -","- C36 H64 Fe P2 -","- C72 H128 Fe2 P4 -","2","1","","Zhang, Fanjun; Jia, Jiong; Dong, Shuli; Wang, Wenguang; Tung, Chen-Ho","Hydride Transfer from Iron(II) Hydride Compounds to NAD(P)+ Analogues","Organometallics","2016","35","8","1151","","10.1021/acs.organomet.6b00179","","","0.71","synchrotron","","0.0503","0.0401","","","0.115","0.1228","","","","","","0.9832","","","","has coordinates","237665","2020-10-21","18:00:00",""
"4088562","12.5269","0.0007","15.4466","0.0008","22.0555","0.0012","90","","106.498","","90","","4092","0.4","173","2","173.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C37 H66 Cl2 F6 Fe P3 -","- C37 H66 Cl2 F6 Fe P3 -","- C148 H264 Cl8 F24 Fe4 P12 -","4","1","","Zhang, Fanjun; Jia, Jiong; Dong, Shuli; Wang, Wenguang; Tung, Chen-Ho","Hydride Transfer from Iron(II) Hydride Compounds to NAD(P)+ Analogues","Organometallics","2016","35","8","1151","","10.1021/acs.organomet.6b00179","","","0.71073","MoKα","","0.038","0.0315","","","0.0743","0.08","","","","","","0.9971","","","","has coordinates","237665","2020-10-21","18:00:00",""
"4088563","14.719","0.006","18.051","0.007","19.797","0.007","71.781","0.004","88.828","0.004","89.767","0.004","4995","3","173","2","173.15","","","","","","","","","6","P -1","-P 1","2","","","","- C51.5 H57 F6 Fe N2 P3 -","- C51.5 H57 F6 Fe N2 P3 -","- C206 H228 F24 Fe4 N8 P12 -","4","2","","Zhang, Fanjun; Jia, Jiong; Dong, Shuli; Wang, Wenguang; Tung, Chen-Ho","Hydride Transfer from Iron(II) Hydride Compounds to NAD(P)+ Analogues","Organometallics","2016","35","8","1151","","10.1021/acs.organomet.6b00179","","","0.71","MoKα","","0.1332","0.0914","","","0.2063","0.2263","","","","","","1.028","","","","has coordinates","252052","2020-10-21","18:00:00",""
"4088564","16.68","0.01","14.917","0.009","20.694","0.013","90","","113.079","0.005","90","","4737","5","173","2","173.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C49 H50 F12 Fe N2 P4 -","- C49 H50 F12 Fe N2 P4 -","- C196 H200 F48 Fe4 N8 P16 -","4","1","","Zhang, Fanjun; Jia, Jiong; Dong, Shuli; Wang, Wenguang; Tung, Chen-Ho","Hydride Transfer from Iron(II) Hydride Compounds to NAD(P)+ Analogues","Organometallics","2016","35","8","1151","","10.1021/acs.organomet.6b00179","","","0.71","MoKα","","0.2178","0.1139","","","0.2542","0.3094","","","","","","1.034","","","","has coordinates","237665","2020-10-21","18:00:00",""
"4088565","12.19","0.008","5.566","0.003","18.721","0.009","90","","129.16","0.03","90","","984.9","1","173","2","173.15","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C28 H24 N2 -","- C28 H24 N2 -","- C56 H48 N4 -","2","0.5","","Zhang, Fanjun; Jia, Jiong; Dong, Shuli; Wang, Wenguang; Tung, Chen-Ho","Hydride Transfer from Iron(II) Hydride Compounds to NAD(P)+ Analogues","Organometallics","2016","35","8","1151","","10.1021/acs.organomet.6b00179","","","0.71073","MoKα","","0.1677","0.0627","","","0.1038","0.1451","","","","","","0.9845","","","","has coordinates","237665","2020-10-21","18:00:00",""
"4088566","14.402","0.004","12.344","0.003","14.608","0.004","90","","102.416","0.014","90","","2536.2","1.2","113","","113","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H34 Cl4 O3 Ta2 -","- C18 H34 Cl4 O3 Ta2 -","- C72 H136 Cl16 O12 Ta8 -","4","1","","Yamamoto, Keishi; Tsurugi, Hayato; Mashima, Kazushi","Alkyne-Induced Facile C‒C Bond Formation of Two η2-Alkynes on Dinuclear Tantalum Bis(alkyne) Complexes To Give Dinuclear Tantalacyclopentadienes","Organometallics","2016","35","10","1573","","10.1021/acs.organomet.6b00182","","","0.71075","MoKα","","0.0463","0.035","","","0.0629","0.0677","","","","","","1.138","","","","has coordinates","237667","2020-10-21","18:00:00",""
"4088567","9.596","0.003","11.061","0.004","22.163","0.008","90","","93.278","0.003","90","","2348.6","1.4","113","","113","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C17 H31 Cl5 O2 Ta2 -","- C17 H31 Cl5 O2 Ta2 -","- C68 H124 Cl20 O8 Ta8 -","4","1","","Yamamoto, Keishi; Tsurugi, Hayato; Mashima, Kazushi","Alkyne-Induced Facile C‒C Bond Formation of Two η2-Alkynes on Dinuclear Tantalum Bis(alkyne) Complexes To Give Dinuclear Tantalacyclopentadienes","Organometallics","2016","35","10","1573","","10.1021/acs.organomet.6b00182","","","0.71075","MoKα","","0.0551","0.0506","","","0.1118","0.1157","","","","","","1.227","","","","has coordinates","237667","2020-10-21","18:00:00",""
"4088568","17.7796","0.0012","10.0943","0.0006","32.778","0.002","90","","97.11","0.003","90","","5837.5","0.6","113","","113","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C23 H40 Cl4 N2 O2.5 Ta2 -","- C23 H40 Cl4 N2 O2.5 Ta2 -","- C184 H320 Cl32 N16 O20 Ta16 -","8","2","","Yamamoto, Keishi; Tsurugi, Hayato; Mashima, Kazushi","Alkyne-Induced Facile C‒C Bond Formation of Two η2-Alkynes on Dinuclear Tantalum Bis(alkyne) Complexes To Give Dinuclear Tantalacyclopentadienes","Organometallics","2016","35","10","1573","","10.1021/acs.organomet.6b00182","","","0.71075","MoKα","","0.0944","0.072","","","0.1492","0.1646","","","","","","1.174","","","","has coordinates","253039","2020-10-21","18:00:00",""
"4088569","8.526","0.004","8.996","0.004","31.092","0.014","90","","93.758","0.005","90","","2379.6","1.9","113","","113","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C16 H30 Cl6 O3 Ta2 -","- C15.5 H30 Cl5 O3 Ta2 -","- C62 H120 Cl20 O12 Ta8 -","4","1","","Yamamoto, Keishi; Tsurugi, Hayato; Mashima, Kazushi","Alkyne-Induced Facile C‒C Bond Formation of Two η2-Alkynes on Dinuclear Tantalum Bis(alkyne) Complexes To Give Dinuclear Tantalacyclopentadienes","Organometallics","2016","35","10","1573","","10.1021/acs.organomet.6b00182","","","0.71075","MoKα","","0.06","0.0564","","","0.1301","0.1352","","","","","","1.179","","","","has coordinates","237667","2020-10-21","18:00:00",""
"4088570","22.224","0.004","14.667","0.003","16.439","0.003","90","","90.063","0.003","90","","5358.4","1.8","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C58 H82 Ge2 N4 P2 -","- C58 H82 Ge2 N4 P2 -","- C232 H328 Ge8 N16 P8 -","4","0.5","","Wu, Yile; Liu, Liu; Su, Jue; Zhu, Jun; Ji, Zhe; Zhao, Yufen","Isolation of a Heavier Cyclobutadiene Analogue: 2,4-Digerma-1,3-diphosphacyclobutadiene","Organometallics","2016","35","11","1593","","10.1021/acs.organomet.6b00187","","","0.71073","MoKα","","0.0503","0.0426","","","0.1137","0.1165","","","","","","1.104","","","","has coordinates","237669","2020-10-21","18:00:00",""
"4088571","8.9086","0.0007","11.8758","0.0014","14.6478","0.0009","96.071","0.007","96.99","0.006","111.786","0.009","1409","0.2","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C30 H40 Ge N2 O P -","- C30 H39.995 Ge N2 O P -","- C60 H79.99 Ge2 N4 O2 P2 -","2","1","","Wu, Yile; Liu, Liu; Su, Jue; Zhu, Jun; Ji, Zhe; Zhao, Yufen","Isolation of a Heavier Cyclobutadiene Analogue: 2,4-Digerma-1,3-diphosphacyclobutadiene","Organometallics","2016","35","11","1593","","10.1021/acs.organomet.6b00187","","","0.71073","MoKα","","0.0419","0.0376","","","0.091","0.0949","","","","","","1.049","","","","has coordinates,has disorder","237671","2020-10-21","18:00:00",""
"4088572","12.5185","0.0009","18.3345","0.0013","20.9291","0.0015","90","","104.275","0.003","90","","4655.3","0.6","93","2","93","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C50.5 H38 B Cl2 F15 N3 V -","- C50.5 H38 B Cl2 F15 N3 V -","- C202 H152 B4 Cl8 F60 N12 V4 -","4","1","","Igarashi, Atsushi; Kolychev, Eugene L.; Tamm, Matthias; Nomura, Kotohiro","Synthesis of (Imido)Vanadium(V) Dichloride Complexes Containing Anionic N-Heterocyclic Carbenes That Contain a Weakly Coordinating Borate Moiety: New MAO-Free Ethylene Polymerization Catalysts","Organometallics","2016","35","11","1778","","10.1021/acs.organomet.6b00200","","","0.71073","MoKα","","0.0674","0.0559","","","0.1533","0.1656","","","","","","1.051","","","","has coordinates,has disorder","237673","2020-10-21","18:00:00",""
"4088573","14.696","0.003","19.462","0.004","18.195","0.004","90","","109.032","0.004","90","","4919.5","1.8","93","2","93","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C53.5 H36 B Cl2 F15 N3 V -","- C53.5 H36 B Cl2 F15 N3 V -","- C214 H144 B4 Cl8 F60 N12 V4 -","4","1","","Igarashi, Atsushi; Kolychev, Eugene L.; Tamm, Matthias; Nomura, Kotohiro","Synthesis of (Imido)Vanadium(V) Dichloride Complexes Containing Anionic N-Heterocyclic Carbenes That Contain a Weakly Coordinating Borate Moiety: New MAO-Free Ethylene Polymerization Catalysts","Organometallics","2016","35","11","1778","","10.1021/acs.organomet.6b00200","","","0.71073","MoKα","","0.1002","0.0696","","","0.1582","0.1759","","","","","","1.167","","","","has coordinates,has disorder","276328","2022-06-28","14:38:54",""
"4088574","10.806","0.008","20.402","0.013","20.961","0.015","90","","101.884","0.009","90","","4522","5","93","2","93","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C46 H30 B Cl4 F15 N3 V -","- C46 H30 B Cl4 F15 N3 V -","- C184 H120 B4 Cl16 F60 N12 V4 -","4","1","","Igarashi, Atsushi; Kolychev, Eugene L.; Tamm, Matthias; Nomura, Kotohiro","Synthesis of (Imido)Vanadium(V) Dichloride Complexes Containing Anionic N-Heterocyclic Carbenes That Contain a Weakly Coordinating Borate Moiety: New MAO-Free Ethylene Polymerization Catalysts","Organometallics","2016","35","11","1778","","10.1021/acs.organomet.6b00200","","","0.71073","MoKα","","0.0656","0.0458","","","0.1201","0.1352","","","","","","1.081","","","","has coordinates,has disorder","237673","2020-10-21","18:00:00",""
"4088575","10.85","0.003","19.708","0.005","20.186","0.005","90","","93.535","0.004","90","","4308.2","1.9","230","2","230","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C31.5 H65 N6 O2 Si4 Y -","- C31.5 H65 N6 O2 Si4 Y -","- C126 H260 N24 O8 Si16 Y4 -","4","1","","Martínez, Javier; Otero, Antonio; Lara-Sánchez, Agustín; Castro-Osma, José Antonio; Fernández-Baeza, Juan; Sánchez-Barba, Luis F.; Rodríguez, Ana M.","Heteroscorpionate Rare-Earth Catalysts for the Hydroalkoxylation/Cyclization of Alkynyl Alcohols","Organometallics","2016","35","11","1802","","10.1021/acs.organomet.6b00203","","","0.71073","MoKα","","0.268","0.0737","","","0.1313","0.1926","","","","","","0.887","","","","has coordinates","237675","2020-10-21","18:00:00",""
"4088576","10.8079","0.001","19.6007","0.0017","20.0931","0.0018","90","","93.755","0.002","90","","4247.4","0.7","230","2","230","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C29.75 H63 Lu N6 O2 Si4 -","- C29.75 H63 Lu N6 O2 Si4 -","- C119 H252 Lu4 N24 O8 Si16 -","4","1","","Martínez, Javier; Otero, Antonio; Lara-Sánchez, Agustín; Castro-Osma, José Antonio; Fernández-Baeza, Juan; Sánchez-Barba, Luis F.; Rodríguez, Ana M.","Heteroscorpionate Rare-Earth Catalysts for the Hydroalkoxylation/Cyclization of Alkynyl Alcohols","Organometallics","2016","35","11","1802","","10.1021/acs.organomet.6b00203","","","0.71073","MoKα","","0.0777","0.0474","","","0.118","0.1327","","","","","","0.934","","","","has coordinates","237675","2020-10-21","18:00:00",""
"4088577","11.522","0.0006","12.356","0.0008","23.317","0.0015","86.754","0.003","77.112","0.004","67.426","0.003","2986.4","0.3","230","2","230","2","","","","","","","","5","P -1","-P 1","2","","","","- C58.5 H87 N12 O3 Y -","- C58.5 H87 N12 O3 Y -","- C117 H174 N24 O6 Y2 -","2","1","","Martínez, Javier; Otero, Antonio; Lara-Sánchez, Agustín; Castro-Osma, José Antonio; Fernández-Baeza, Juan; Sánchez-Barba, Luis F.; Rodríguez, Ana M.","Heteroscorpionate Rare-Earth Catalysts for the Hydroalkoxylation/Cyclization of Alkynyl Alcohols","Organometallics","2016","35","11","1802","","10.1021/acs.organomet.6b00203","","","0.71073","MoKα","","0.1251","0.0659","","","0.1479","0.1792","","","","","","0.927","","","","has coordinates","237675","2020-10-21","18:00:00",""
"4088578","17.7123","0.0009","12.5593","0.0007","17.9008","0.0009","90","","90","","90","","3982.1","0.4","100","2","100","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C44 H53 Al N4 Si -","- C44 H53 Al N4 Si -","- C176 H212 Al4 N16 Si4 -","4","1","","Mück, Felix M.; Baus, Johannes A.; Bertermann, Rüdiger; Burschka, Christian; Tacke, Reinhold","Lewis Acid/Base Reactions of the Bis(amidinato)silylene [iPrNC(Ph)NiPr]2Si and Bis(guanidinato)silylene [iPrNC(NiPr2)NiPr]2Si with ElPh3(El = B, Al)","Organometallics","2016","35","16","2583","","10.1021/acs.organomet.6b00204","","","0.71073","MoKα","","0.0646","0.0466","","","0.0945","0.103","","","","","","1.02","","","","has coordinates","237677","2020-10-21","18:00:00",""
"4088579","10.762","0.005","20.006","0.009","22.148","0.01","90","","98.408","0.015","90","","4717","4","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C47.5 H75 B N6 Si -","- C47.5 H75 B N6 Si -","- C190 H300 B4 N24 Si4 -","4","1","","Mück, Felix M.; Baus, Johannes A.; Bertermann, Rüdiger; Burschka, Christian; Tacke, Reinhold","Lewis Acid/Base Reactions of the Bis(amidinato)silylene [iPrNC(Ph)NiPr]2Si and Bis(guanidinato)silylene [iPrNC(NiPr2)NiPr]2Si with ElPh3(El = B, Al)","Organometallics","2016","35","16","2583","","10.1021/acs.organomet.6b00204","","","0.71073","MoKα","","0.0525","0.0429","","","0.116","0.1251","","","","","","1.037","","","","has coordinates,has disorder","237677","2020-10-21","18:00:00",""
"4088580","11.635","0.008","23.239","0.015","16.351","0.011","90","","90.39","0.02","90","","4421","5","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C44 H71 Al N6 Si -","- C44 H71 Al N6 Si -","- C176 H284 Al4 N24 Si4 -","4","1","","Mück, Felix M.; Baus, Johannes A.; Bertermann, Rüdiger; Burschka, Christian; Tacke, Reinhold","Lewis Acid/Base Reactions of the Bis(amidinato)silylene [iPrNC(Ph)NiPr]2Si and Bis(guanidinato)silylene [iPrNC(NiPr2)NiPr]2Si with ElPh3(El = B, Al)","Organometallics","2016","35","16","2583","","10.1021/acs.organomet.6b00204","","","0.71073","MoKα","","0.0482","0.0362","","","0.0878","0.0949","","","","","","1.024","","","","has coordinates,has disorder","237677","2020-10-21","18:00:00",""
"4088581","13.0441","0.001","23.8002","0.0018","15.4295","0.0012","90","","94.932","0.001","90","","4772.4","0.6","103","2","103","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C53 H57 Cl2 O4 P Ru S2 -","- C53 H57 Cl2 O4 P Ru S2 -","- C212 H228 Cl8 O16 P4 Ru4 S8 -","4","1","","Smit, Wietse; Koudriavtsev, Vitali; Occhipinti, Giovanni; Törnroos, Karl W.; Jensen, Vidar R.","Phosphine-Based Z-Selective Ruthenium Olefin Metathesis Catalysts","Organometallics","2016","35","11","1825","","10.1021/acs.organomet.6b00214","","","0.71073","MoKα","","0.0487","0.0411","","","0.103","0.1086","","","","","","1.06","","","","has coordinates","237681","2020-10-21","18:00:00",""
"4088582","12.419","0.003","15.046","0.003","27.038","0.006","90","","97.968","0.003","90","","5003.4","1.9","103","2","103","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C57 H74 Cl O P Ru S -","- C57 H74 Cl O P Ru S -","- C228 H296 Cl4 O4 P4 Ru4 S4 -","4","1","","Smit, Wietse; Koudriavtsev, Vitali; Occhipinti, Giovanni; Törnroos, Karl W.; Jensen, Vidar R.","Phosphine-Based Z-Selective Ruthenium Olefin Metathesis Catalysts","Organometallics","2016","35","11","1825","","10.1021/acs.organomet.6b00214","","","0.71073","MoKα","","0.1388","0.0975","","","0.1851","0.2004","","","","","","1.163","","","","has coordinates","237683","2020-10-21","18:00:00",""
"4088583","12.8196","0.0005","17.038","0.0006","20.3621","0.0007","90","","105.436","0.001","90","","4287.1","0.3","103","2","103","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C49 H53 Cl2 O2 P Ru S -","- C49 H53 Cl2 O2 P Ru S -","- C196 H212 Cl8 O8 P4 Ru4 S4 -","4","1","","Smit, Wietse; Koudriavtsev, Vitali; Occhipinti, Giovanni; Törnroos, Karl W.; Jensen, Vidar R.","Phosphine-Based Z-Selective Ruthenium Olefin Metathesis Catalysts","Organometallics","2016","35","11","1825","","10.1021/acs.organomet.6b00214","","","0.71073","MoKα","","0.0558","0.0405","","","0.0995","0.1059","","","","","","1.063","","","","has coordinates","237685","2020-10-21","18:00:00",""
"4088584","10.4676","0.0005","11.0982","0.0005","15.7331","0.0008","96.432","0.002","92.191","0.002","117.377","0.002","1604.45","0.14","100.15","","100.15","","","","","","","","","6","P -1","-P 1","2","","","","- C28 H43 I Li N6 Ta -","- C28 H43 I Li N6 Ta -","- C56 H86 I2 Li2 N12 Ta2 -","2","1","","Helgert, Theodore R.; Zhang, Xiaofei; Box, Hannah K.; Denny, Jason A.; Valle, Henry U.; Oliver, Allen G.; Akurathi, Gopalakrishna; Webster, Charles Edwin; Hollis, T. Keith","Extreme π-Loading as a Design Element for Accessing Imido Ligand Reactivity. A CCC-NHC Pincer Tantalum Bis(imido) Complex: Synthesis, Characterization, and Catalytic Oxidative Amination of Alkenes","Organometallics","2016","35","20","3452","","10.1021/acs.organomet.6b00216","","","0.71073","MoKα","","0.0558","0.0448","","","0.1014","0.1073","","","","","","1.057","","","","has coordinates,has disorder","237687","2020-10-21","18:00:00",""
"4088585","12.4824","0.0003","16.2264","0.0003","22.5524","0.0004","90","","103.707","0.002","90","","4437.77","0.16","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C48 H40 B F15 N2 Pd -","- C48 H40 B F15 N2 Pd -","- C192 H160 B4 F60 N8 Pd4 -","4","1","","Winkler, Andrea; Brandhorst, Kai; Freytag, Matthias; Jones, Peter G.; Tamm, Matthias","Palladium(II) Complexes with Anionic N-Heterocyclic Carbene‒Borate Ligands as Catalysts for the Amination of Aryl Halides","Organometallics","2016","35","8","1160","","10.1021/acs.organomet.6b00217","","","0.71073","MoKα","","0.0556","0.035","","","0.0726","0.0803","","","","","","1.037","","","","has coordinates,has disorder","237690","2020-10-21","18:00:00",""
"4088586","12.5426","0.0002","16.2308","0.0002","22.8614","0.0003","90","","102.895","0.002","90","","4536.67","0.11","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C49 H42 B F15 N2 Pd -","- C49 H42 B F15 N2 Pd -","- C196 H168 B4 F60 N8 Pd4 -","4","1","","Winkler, Andrea; Brandhorst, Kai; Freytag, Matthias; Jones, Peter G.; Tamm, Matthias","Palladium(II) Complexes with Anionic N-Heterocyclic Carbene‒Borate Ligands as Catalysts for the Amination of Aryl Halides","Organometallics","2016","35","8","1160","","10.1021/acs.organomet.6b00217","","","1.54184","CuKα","","0.0372","0.0357","","","0.0916","0.093","","","","","","1.051","","","","has coordinates","237690","2020-10-21","18:00:00",""
"4088587","10.77451","0.0001","18.90823","0.0001","25.13604","0.00016","90","","98.7286","0.001","90","","5061.58","0.06","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C56 H50 B F15 N2 Pd -","- C56 H50 B F15 N2 Pd -","- C224 H200 B4 F60 N8 Pd4 -","4","1","","Winkler, Andrea; Brandhorst, Kai; Freytag, Matthias; Jones, Peter G.; Tamm, Matthias","Palladium(II) Complexes with Anionic N-Heterocyclic Carbene‒Borate Ligands as Catalysts for the Amination of Aryl Halides","Organometallics","2016","35","8","1160","","10.1021/acs.organomet.6b00217","","","1.54184","CuKα","","0.0316","0.0308","","","0.0814","0.082","","","","","","1.031","","","","has coordinates,has disorder","237690","2020-10-21","18:00:00",""
"4088588","17.6278","0.0008","15.967","0.0006","20.3148","0.0008","90","","106.754","0.004","90","","5475.1","0.4","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C56 H48 B Cl4 F15 N2 Pd -","- C54 H44 B F15 N2 Pd -","- C216 H176 B4 F60 N8 Pd4 -","4","1","","Winkler, Andrea; Brandhorst, Kai; Freytag, Matthias; Jones, Peter G.; Tamm, Matthias","Palladium(II) Complexes with Anionic N-Heterocyclic Carbene‒Borate Ligands as Catalysts for the Amination of Aryl Halides","Organometallics","2016","35","8","1160","","10.1021/acs.organomet.6b00217","","","0.71073","MoKα","","0.0689","0.0507","","","0.1169","0.1252","","","","","","1.071","","","","has coordinates,has disorder","237690","2020-10-21","18:00:00",""
"4088589","21.2862","0.0002","15.72587","0.0001","21.2951","0.0002","90","","118.227","0.002","90","","6280.7","0.15","100","2","100","2","","","","","","","","9","P 1 21/c 1","-P 2ybc","14","","","","- C64 H72 B Cl F15 Li N2 O4 Pd -","- C64 H72 B Cl F15 Li N2 O4 Pd -","- C256 H288 B4 Cl4 F60 Li4 N8 O16 Pd4 -","4","1","","Winkler, Andrea; Brandhorst, Kai; Freytag, Matthias; Jones, Peter G.; Tamm, Matthias","Palladium(II) Complexes with Anionic N-Heterocyclic Carbene‒Borate Ligands as Catalysts for the Amination of Aryl Halides","Organometallics","2016","35","8","1160","","10.1021/acs.organomet.6b00217","","","1.54184","CuKα","","0.0333","0.032","","","0.0838","0.0849","","","","","","1.048","","","","has coordinates,has disorder","237690","2020-10-21","18:00:00",""
"4088590","12.1667","0.0004","15.1008","0.0005","19.1414","0.0007","107.173","0.003","97.014","0.003","100.23","0.003","3249.1","0.2","100","2","100","2","","","","","","","","9","P -1","-P 1","2","","","","- C67 H72 B Cl F15 Li N2 O3 Pd -","- C67 H72 B Cl F15 Li N2 O3 Pd -","- C134 H144 B2 Cl2 F30 Li2 N4 O6 Pd2 -","2","1","","Winkler, Andrea; Brandhorst, Kai; Freytag, Matthias; Jones, Peter G.; Tamm, Matthias","Palladium(II) Complexes with Anionic N-Heterocyclic Carbene‒Borate Ligands as Catalysts for the Amination of Aryl Halides","Organometallics","2016","35","8","1160","","10.1021/acs.organomet.6b00217","","","0.71073","MoKα","","0.0632","0.0413","","","0.0756","0.0831","","","","","","1.038","","","","has coordinates,has disorder","237690","2020-10-21","18:00:00",""
"4088591","19.9247","0.0003","21.0682","0.0003","30.1189","0.0005","90","","90","","90","","12643.2","0.3","100","2","100","2","","","","","","","","9","P b c a","-P 2ac 2ab","61","","","","- C65 H74 B Cl F15 Li N2 O4 Pd -","- C61 H66 B Cl F15 Li N2 O3 Pd -","- C488 H528 B8 Cl8 F120 Li8 N16 O24 Pd8 -","8","1","","Winkler, Andrea; Brandhorst, Kai; Freytag, Matthias; Jones, Peter G.; Tamm, Matthias","Palladium(II) Complexes with Anionic N-Heterocyclic Carbene‒Borate Ligands as Catalysts for the Amination of Aryl Halides","Organometallics","2016","35","8","1160","","10.1021/acs.organomet.6b00217","","","0.71073","MoKα","","0.0734","0.0669","","","0.1305","0.1339","","","","","","1.234","","","","has coordinates,has disorder","237690","2020-10-21","18:00:00",""
"4088592","10.5549","0.0002","40.2073","0.0005","13.1873","0.0002","90","","109.673","0.002","90","","5269.81","0.16","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C56.5 H55 B F15 N3 O Pd -","- C56.5 H55 B F15 N3 O Pd -","- C226 H220 B4 F60 N12 O4 Pd4 -","4","1","","Winkler, Andrea; Brandhorst, Kai; Freytag, Matthias; Jones, Peter G.; Tamm, Matthias","Palladium(II) Complexes with Anionic N-Heterocyclic Carbene‒Borate Ligands as Catalysts for the Amination of Aryl Halides","Organometallics","2016","35","8","1160","","10.1021/acs.organomet.6b00217","","","1.54184","CuKα","","0.0382","0.0354","","","0.0855","0.0874","","","","","","1.044","","","","has coordinates,has disorder","237690","2020-10-21","18:00:00",""
"4088593","15.0287","0.0014","16.0308","0.0015","16.6934","0.0015","84.207","0.001","64.952","0.001","78.893","0.001","3574.5","0.6","293","2","293","2","","","","","","","","8","P -1","-P 1","2","","","","- C49 H70 Cl2 Ho2 Li N7 O Si2 -","- C49 H70 Cl2 Ho2 Li N7 O Si2 -","- C98 H140 Cl4 Ho4 Li2 N14 O2 Si4 -","2","1","","Zhu, Xiancui; Li, Yang; Wei, Yun; Wang, Shaowu; Zhou, Shuangliu; Zhang, Lijun","Reactivity of 3-Imino-Functionalized Indoles with Rare-Earth-Metal Amides: Unexpected Substituent Effects on C‒H Activation Pathways and Assembly of Rare-Earth-Metal Complexes","Organometallics","2016","35","11","1838","","10.1021/acs.organomet.6b00221","","","0.71073","MoKα","","0.0853","0.0451","","","0.0921","0.099","","","","","","1.016","","","","has coordinates","237694","2020-10-21","18:00:00",""
"4088594","14.7238","0.0017","15.744","0.003","16.633","0.003","84.26","0.001","63.945","0.007","78.768","0.01","3397.1","1","113","2","113","2","","","","","","","","8","P -1","-P 1","2","","","","- C98 H140 Cl4 Er4 Li2 N14 O2 Si4 -","- C98 H140 Cl4 Er4 Li2 N14 O2 Si4 -","- C98 H140 Cl4 Er4 Li2 N14 O2 Si4 -","1","0.5","","Zhu, Xiancui; Li, Yang; Wei, Yun; Wang, Shaowu; Zhou, Shuangliu; Zhang, Lijun","Reactivity of 3-Imino-Functionalized Indoles with Rare-Earth-Metal Amides: Unexpected Substituent Effects on C‒H Activation Pathways and Assembly of Rare-Earth-Metal Complexes","Organometallics","2016","35","11","1838","","10.1021/acs.organomet.6b00221","","","0.71075","MoKα","","0.0434","0.0373","","","0.085","0.0888","","","","","","1.022","","","","has coordinates","237694","2020-10-21","18:00:00",""
"4088595","17.8501","0.0013","18.1538","0.0013","24.2714","0.0018","90","","90","","90","","7865.1","1","293","2","293","2","","","","","","","","8","P c c n","-P 2ab 2ac","56","","","","- C66 H104 Cl2 Li2 N6 O6 Si4 Y2 -","- C66 H104 Cl2 Li2 N6 O6 Si4 Y2 -","- C264 H416 Cl8 Li8 N24 O24 Si16 Y8 -","4","0.5","","Zhu, Xiancui; Li, Yang; Wei, Yun; Wang, Shaowu; Zhou, Shuangliu; Zhang, Lijun","Reactivity of 3-Imino-Functionalized Indoles with Rare-Earth-Metal Amides: Unexpected Substituent Effects on C‒H Activation Pathways and Assembly of Rare-Earth-Metal Complexes","Organometallics","2016","35","11","1838","","10.1021/acs.organomet.6b00221","","","0.71073","MoKα","","0.1535","0.0573","","","0.1069","0.1379","","","","","","0.973","","","","has coordinates,has disorder","237694","2020-10-21","18:00:00",""
"4088596","17.7886","0.0011","18.151","0.0011","24.4692","0.0015","90","","90","","90","","7900.6","0.8","293","2","293","2","","","","","","","","8","P c c n","-P 2ab 2ac","56","","","","- C66 H104 Cl2 Li2 N6 O6 Si4 Sm2 -","- C66 H104 Cl2 Li2 N6 O6 Si4 Sm2 -","- C264 H416 Cl8 Li8 N24 O24 Si16 Sm8 -","4","0.5","","Zhu, Xiancui; Li, Yang; Wei, Yun; Wang, Shaowu; Zhou, Shuangliu; Zhang, Lijun","Reactivity of 3-Imino-Functionalized Indoles with Rare-Earth-Metal Amides: Unexpected Substituent Effects on C‒H Activation Pathways and Assembly of Rare-Earth-Metal Complexes","Organometallics","2016","35","11","1838","","10.1021/acs.organomet.6b00221","","","0.71073","MoKα","","0.0545","0.034","","","0.0802","0.0867","","","","","","1.061","","","","has coordinates,has disorder","237694","2020-10-21","18:00:00",""
"4088597","17.8179","0.0012","18.1374","0.0012","24.2921","0.0016","90","","90","","90","","7850.5","0.9","293","2","293","2","","","","","","","","8","P c c n","-P 2ab 2ac","56","","","","- C66 H104 Cl2 Dy2 Li2 N6 O6 Si4 -","- C66 H104 Cl2 Dy2 Li2 N6 O6 Si4 -","- C264 H416 Cl8 Dy8 Li8 N24 O24 Si16 -","4","0.5","","Zhu, Xiancui; Li, Yang; Wei, Yun; Wang, Shaowu; Zhou, Shuangliu; Zhang, Lijun","Reactivity of 3-Imino-Functionalized Indoles with Rare-Earth-Metal Amides: Unexpected Substituent Effects on C‒H Activation Pathways and Assembly of Rare-Earth-Metal Complexes","Organometallics","2016","35","11","1838","","10.1021/acs.organomet.6b00221","","","0.71073","MoKα","","0.055","0.0323","","","0.0962","0.1169","","","","","","0.979","","","","has coordinates,has disorder","237694","2020-10-21","18:00:00",""
"4088598","17.8404","0.0011","18.1158","0.0011","24.1865","0.0015","90","","90","","90","","7816.9","0.8","293","2","293","2","","","","","","","","8","P c c n","-P 2ab 2ac","56","","","","- C66 H104 Cl2 Li2 N6 O6 Si4 Yb2 -","- C66 H104 Cl2 Li2 N6 O6 Si4 Yb2 -","- C264 H416 Cl8 Li8 N24 O24 Si16 Yb8 -","4","0.5","","Zhu, Xiancui; Li, Yang; Wei, Yun; Wang, Shaowu; Zhou, Shuangliu; Zhang, Lijun","Reactivity of 3-Imino-Functionalized Indoles with Rare-Earth-Metal Amides: Unexpected Substituent Effects on C‒H Activation Pathways and Assembly of Rare-Earth-Metal Complexes","Organometallics","2016","35","11","1838","","10.1021/acs.organomet.6b00221","","","0.71073","MoKα","","0.1415","0.0558","","","0.1153","0.1495","","","","","","1.09","","","","has coordinates,has disorder","237694","2020-10-21","18:00:00",""
"4088599","18.1701","0.0009","18.4035","0.0009","23.7815","0.0012","90","","90","","90","","7952.4","0.7","293","2","293","2","","","","","","","","8","P c c n","-P 2ab 2ac","56","","","","- C68 H108 Cl2 Li2 N6 O6 Si4 Yb2 -","- C68 H108 Cl2 Li2 N6 O6 Si4 Yb2 -","- C272 H432 Cl8 Li8 N24 O24 Si16 Yb8 -","4","0.5","","Zhu, Xiancui; Li, Yang; Wei, Yun; Wang, Shaowu; Zhou, Shuangliu; Zhang, Lijun","Reactivity of 3-Imino-Functionalized Indoles with Rare-Earth-Metal Amides: Unexpected Substituent Effects on C‒H Activation Pathways and Assembly of Rare-Earth-Metal Complexes","Organometallics","2016","35","11","1838","","10.1021/acs.organomet.6b00221","","","0.71073","MoKα","","0.0694","0.0345","","","0.0701","0.0848","","","","","","0.998","","","","has coordinates","237694","2020-10-21","18:00:00",""
"4088600","17.9411","0.0011","18.259","0.0011","24.3816","0.0015","90","","90","","90","","7987.1","0.8","293","2","293","2","","","","","","","","8","P c c n","-P 2ab 2ac","56","","","","- C68 H108 Cl2 Li2 N6 O6 Si4 Yb2 -","- C68 H108 Cl2 Li2 N6 O6 Si4 Yb2 -","- C272 H432 Cl8 Li8 N24 O24 Si16 Yb8 -","4","0.5","","Zhu, Xiancui; Li, Yang; Wei, Yun; Wang, Shaowu; Zhou, Shuangliu; Zhang, Lijun","Reactivity of 3-Imino-Functionalized Indoles with Rare-Earth-Metal Amides: Unexpected Substituent Effects on C‒H Activation Pathways and Assembly of Rare-Earth-Metal Complexes","Organometallics","2016","35","11","1838","","10.1021/acs.organomet.6b00221","","","0.71073","MoKα","","0.1812","0.0697","","","0.1488","0.191","","","","","","0.917","","","","has coordinates,has disorder","237694","2020-10-21","18:00:00",""
"4088601","20.5316","0.0009","20.5316","0.0009","20.5316","0.0009","82.13","","82.13","","82.13","","8430.9","0.6","293","2","293","2","","","","","","","","5","R -3 :R","-P 3*","148","","","","- C186 H330 Dy6 N24 Si24 -","- C186 H330 Dy6 N24 Si24 -","- C186 H330 Dy6 N24 Si24 -","1","0.166667","","Zhu, Xiancui; Li, Yang; Wei, Yun; Wang, Shaowu; Zhou, Shuangliu; Zhang, Lijun","Reactivity of 3-Imino-Functionalized Indoles with Rare-Earth-Metal Amides: Unexpected Substituent Effects on C‒H Activation Pathways and Assembly of Rare-Earth-Metal Complexes","Organometallics","2016","35","11","1838","","10.1021/acs.organomet.6b00221","","","0.71073","MoKα","","0.1263","0.0523","","","0.1126","0.1288","","","","","","0.828","","","","has coordinates,has disorder","237694","2020-10-21","18:00:00",""
"4088602","26.9505","0.0008","26.9505","0.0008","40.167","0.002","90","","90","","120","","25265.8","1.6","293","2","293","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C186 H330 Er6 N24 Si24 -","- C186 H330 Er6 N24 Si24 -","- C558 H990 Er18 N72 Si72 -","3","0.166667","","Zhu, Xiancui; Li, Yang; Wei, Yun; Wang, Shaowu; Zhou, Shuangliu; Zhang, Lijun","Reactivity of 3-Imino-Functionalized Indoles with Rare-Earth-Metal Amides: Unexpected Substituent Effects on C‒H Activation Pathways and Assembly of Rare-Earth-Metal Complexes","Organometallics","2016","35","11","1838","","10.1021/acs.organomet.6b00221","","","0.71073","MoKα","","0.106","0.0513","","","0.1248","0.1393","","","","","","0.863","","","","has coordinates,has disorder","237694","2020-10-21","18:00:00",""
"4088603","26.979","0.0007","26.979","0.0007","40.165","0.002","90","","90","","120","","25318","1.6","293","2","293","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C186 H330 Ho6 N24 Si24 -","- C186 H330 Ho6 N24 Si24 -","- C558 H990 Ho18 N72 Si72 -","3","0.166667","","Zhu, Xiancui; Li, Yang; Wei, Yun; Wang, Shaowu; Zhou, Shuangliu; Zhang, Lijun","Reactivity of 3-Imino-Functionalized Indoles with Rare-Earth-Metal Amides: Unexpected Substituent Effects on C‒H Activation Pathways and Assembly of Rare-Earth-Metal Complexes","Organometallics","2016","35","11","1838","","10.1021/acs.organomet.6b00221","","","0.71073","MoKα","","0.0835","0.0429","","","0.1","0.1102","","","","","","0.851","","","","has coordinates,has disorder","237694","2020-10-21","18:00:00",""
"4088604","26.9796","0.0009","26.9796","0.0009","40.18","0.003","90","","90","","120","","25329","2","293","2","293","2","","","","","","","","7","R -3 :H","-R 3","148","","","","- C210 H372 Li6 N24 O6 Si24 Y6 -","- C210 H372 Li6 N24 O6 Si24 Y6 -","- C630 H1116 Li18 N72 O18 Si72 Y18 -","3","0.166667","","Zhu, Xiancui; Li, Yang; Wei, Yun; Wang, Shaowu; Zhou, Shuangliu; Zhang, Lijun","Reactivity of 3-Imino-Functionalized Indoles with Rare-Earth-Metal Amides: Unexpected Substituent Effects on C‒H Activation Pathways and Assembly of Rare-Earth-Metal Complexes","Organometallics","2016","35","11","1838","","10.1021/acs.organomet.6b00221","","","0.71073","MoKα","","0.1192","0.0539","","","0.1318","0.1594","","","","","","0.801","","","","has coordinates,has disorder","237694","2020-10-21","18:00:00",""
"4088605","8.7551","0.0002","9.5037","0.0002","11.971","0.0002","98.0645","0.0013","96.1747","0.0011","93.5514","0.0011","977.48","0.03","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C18 H20 Fe N O4 P -","- C18 H20 Fe N O4 P -","- C36 H40 Fe2 N2 O8 P2 -","2","1","","Wit, Jan B. M.; de Jong, G. Bas; Schakel, Marius; Lutz, Martin; Ehlers, Andreas W.; Slootweg, J. Chris; Lammertsma, Koop","iPr2N‒P═Fe(CO)4 in Olefinic Solvents: A Reservoir of a Transient Phosphinidene Complex Capable of Substrate Hopping","Organometallics","2016","35","8","1170","","10.1021/acs.organomet.6b00227","","","0.71073","MoKα","","0.0341","0.027","","","0.066","0.069","","","","","","1.053","","","","has coordinates","237697","2020-10-21","18:00:00",""
"4088606","10.568","0.002","17.691","0.003","13.565","0.003","90","","101.529","0.002","90","","2484.9","0.8","110","2","110","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C32 H24 Br Sb -","- C32 H24 Br Sb -","- C128 H96 Br4 Sb4 -","4","1","","Hirai, Masato; Myahkostupov, Mykhaylo; Castellano, Felix N.; Gabbaï, François P.","1-Pyrenyl- and 3-Perylenyl-antimony(V) Derivatives for the Fluorescence Turn-On Sensing of Fluoride Ions in Water at Sub-ppm Concentrations","Organometallics","2016","35","11","1854","","10.1021/acs.organomet.6b00233","","","0.71073","MoKα","","0.0638","0.0364","","","0.0724","0.0816","","","","","","1.019","","","","has coordinates","276321","2022-06-28","14:00:35",""
"4088607","19.8623","0.0015","8.0961","0.0006","17.4657","0.0013","90","","108.312","0.001","90","","2666.4","0.3","110","2","110","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C35 H28 F O Sb -","- C35 H28 F O Sb -","- C140 H112 F4 O4 Sb4 -","4","1","","Hirai, Masato; Myahkostupov, Mykhaylo; Castellano, Felix N.; Gabbaï, François P.","1-Pyrenyl- and 3-Perylenyl-antimony(V) Derivatives for the Fluorescence Turn-On Sensing of Fluoride Ions in Water at Sub-ppm Concentrations","Organometallics","2016","35","11","1854","","10.1021/acs.organomet.6b00233","","","0.71073","MoKα","","0.0471","0.0362","","","0.079","0.0838","","","","","","1.03","","","","has coordinates","276321","2022-06-28","14:00:35",""
"4088608","18.23","0.004","11.474","0.003","16.73","0.004","90","","114.509","0.003","90","","3184.1","1.3","110","2","110","2","","","","","","","","4","P 1 c 1","P -2yc","7","","","","- C76 H52 Br2 Sb2 -","- C76 H52 Br2 Sb2 -","- C152 H104 Br4 Sb4 -","2","1","","Hirai, Masato; Myahkostupov, Mykhaylo; Castellano, Felix N.; Gabbaï, François P.","1-Pyrenyl- and 3-Perylenyl-antimony(V) Derivatives for the Fluorescence Turn-On Sensing of Fluoride Ions in Water at Sub-ppm Concentrations","Organometallics","2016","35","11","1854","","10.1021/acs.organomet.6b00233","","","0.71073","MoKα","","0.0507","0.0357","","","0.0911","0.1032","","","","","","0.714","","","","has coordinates,has disorder","276321","2022-06-28","14:00:35",""
"4088609","19.121","0.003","8.2771","0.0015","17.338","0.003","90","","99.91","0.002","90","","2703.1","0.8","110","2","110","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C38 H26 F Sb -","- C38 H26 F Sb -","- C152 H104 F4 Sb4 -","4","1","","Hirai, Masato; Myahkostupov, Mykhaylo; Castellano, Felix N.; Gabbaï, François P.","1-Pyrenyl- and 3-Perylenyl-antimony(V) Derivatives for the Fluorescence Turn-On Sensing of Fluoride Ions in Water at Sub-ppm Concentrations","Organometallics","2016","35","11","1854","","10.1021/acs.organomet.6b00233","","","0.71073","MoKα","","0.0551","0.041","","","0.0849","0.0924","","","","","","1.091","","","","has coordinates,has disorder","276321","2022-06-28","14:00:35",""
"4088610","13.9235","0.0007","13.2104","0.0006","14.2661","0.0006","90","","102.038","0.0012","90","","2566.3","0.2","93","2","93","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C48 H70 Cl4 N6 O2 Rh2 -","- C48 H70 Cl4 N6 O2 Rh2 -","- C96 H140 Cl8 N12 O4 Rh4 -","2","1","","Ito, Jun-ichi; Sugino, Kanae; Matsushima, Satoru; Sakaguchi, Hiroki; Iwata, Hiroshi; Ishihara, Takahiro; Nishiyama, Hisao","Synthesis of NHC-Oxazoline Pincer Complexes of Rh and Ru and Their Catalytic Activity for Hydrogenation and Conjugate Reduction","Organometallics","2016","35","11","1885","","10.1021/acs.organomet.6b00239","","","0.71073","MoKα","","0.024","0.023","","","0.0567","0.0573","","","","","","1.06","","","","has coordinates","237701","2020-10-21","18:00:00",""
"4088611","10.774","0.0014","14.3488","0.0018","17.717","0.002","90","","90","","90","","2738.9","0.6","123","2","123","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C27 H34 Cl2 N3 O2 Rh -","- C27 H34 Cl2 N3 O2 Rh -","- C108 H136 Cl8 N12 O8 Rh4 -","4","1","","Ito, Jun-ichi; Sugino, Kanae; Matsushima, Satoru; Sakaguchi, Hiroki; Iwata, Hiroshi; Ishihara, Takahiro; Nishiyama, Hisao","Synthesis of NHC-Oxazoline Pincer Complexes of Rh and Ru and Their Catalytic Activity for Hydrogenation and Conjugate Reduction","Organometallics","2016","35","11","1885","","10.1021/acs.organomet.6b00239","","","0.71073","MoKα","","0.0294","0.0279","","","0.0633","0.0639","","","","","","1.089","","","","has coordinates","237701","2020-10-21","18:00:00",""
"4088612","10.0305","0.0005","12.0179","0.0007","19.1095","0.001","90","","90","","90","","2303.6","0.2","93","0.2","93","0.2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C24 H31 N3 O4 Ru -","- C24 H31 N3 O4 Ru -","- C96 H124 N12 O16 Ru4 -","4","1","","Ito, Jun-ichi; Sugino, Kanae; Matsushima, Satoru; Sakaguchi, Hiroki; Iwata, Hiroshi; Ishihara, Takahiro; Nishiyama, Hisao","Synthesis of NHC-Oxazoline Pincer Complexes of Rh and Ru and Their Catalytic Activity for Hydrogenation and Conjugate Reduction","Organometallics","2016","35","11","1885","","10.1021/acs.organomet.6b00239","","","0.71073","MoKα","","0.0199","0.0185","","","0.0456","0.0533","","","","","","1.195","","","","has coordinates","237701","2020-10-21","18:00:00",""
"4088613","9.367","0.004","10.864","0.004","12.295","0.005","90","","105.106","0.005","90","","1207.9","0.8","293","","293","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C24 H31 N3 O4 Ru -","- C24 H30 N3 O4 Ru -","- C48 H60 N6 O8 Ru2 -","2","1","","Ito, Jun-ichi; Sugino, Kanae; Matsushima, Satoru; Sakaguchi, Hiroki; Iwata, Hiroshi; Ishihara, Takahiro; Nishiyama, Hisao","Synthesis of NHC-Oxazoline Pincer Complexes of Rh and Ru and Their Catalytic Activity for Hydrogenation and Conjugate Reduction","Organometallics","2016","35","11","1885","","10.1021/acs.organomet.6b00239","","","0.71075","MoKα","","","0.0218","","","","0.0549","","","","","","1.029","","","","has coordinates","237701","2020-10-21","18:00:00",""
"4088614","11.4914","0.0002","13.9557","0.0002","11.4576","0.0002","90","","104.649","0.001","90","","1777.73","0.05","223","2","223","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H20 N2 O -","- C22 H20 N2 O -","- C88 H80 N8 O4 -","4","1","","Holtrichter-Rößmann, Thorsten; Häger, Ina; Daniliuc, Constantin-Gabriel; Fröhlich, Roland; Bergander, Klaus; Troll, Carsten; Rieger, Bernhard; Rojas, René S.; Würthwein, Ernst-Ulrich","Catalytically Active N-Acylamidine‒Zirconium Complexes: Synthesis, Structures, and Application in Ethylene Polymerization","Organometallics","2016","35","11","1906","","10.1021/acs.organomet.6b00240","","","0.71073","MoKα","","0.0481","0.0431","","","0.1024","0.1072","","","","","","1.05","","","","has coordinates","237704","2020-10-21","18:00:00",""
"4088615","11.4443","0.0002","11.2621","0.0003","20.7625","0.0005","90","","94.156","0.002","90","","2668.98","0.11","223","2","223","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C27 H29 Cl3 N4 O Zr -","- C27 H29 Cl3 N4 O Zr -","- C108 H116 Cl12 N16 O4 Zr4 -","4","1","","Holtrichter-Rößmann, Thorsten; Häger, Ina; Daniliuc, Constantin-Gabriel; Fröhlich, Roland; Bergander, Klaus; Troll, Carsten; Rieger, Bernhard; Rojas, René S.; Würthwein, Ernst-Ulrich","Catalytically Active N-Acylamidine‒Zirconium Complexes: Synthesis, Structures, and Application in Ethylene Polymerization","Organometallics","2016","35","11","1906","","10.1021/acs.organomet.6b00240","","","0.71073","MoKα","","0.0733","0.0565","","","0.1344","0.1472","","","","","","1.065","","","","has coordinates,has disorder","237706","2020-10-21","18:00:00",""
"4088616","9.2275","0.0002","15.4621","0.0004","10.472","0.0002","90","","100.328","0.002","90","","1469.9","0.06","223","2","223","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C18 H14 N4 O -","- C18 H14 N4 O -","- C72 H56 N16 O4 -","4","1","","Holtrichter-Rößmann, Thorsten; Häger, Ina; Daniliuc, Constantin-Gabriel; Fröhlich, Roland; Bergander, Klaus; Troll, Carsten; Rieger, Bernhard; Rojas, René S.; Würthwein, Ernst-Ulrich","Catalytically Active N-Acylamidine‒Zirconium Complexes: Synthesis, Structures, and Application in Ethylene Polymerization","Organometallics","2016","35","11","1906","","10.1021/acs.organomet.6b00240","","","0.71073","MoKα","","0.068","0.0423","","","0.0979","0.1085","","","","","","1.025","","","","has coordinates","237708","2020-10-21","18:00:00",""
"4088617","10.6392","0.0001","16.9432","0.0002","30.9376","0.0005","90","","90","","90","","5576.88","0.12","223","2","223","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C56 H52 Cl8 N4 O2 Zr2 -","- C56 H52 Cl8 N4 O2 Zr2 -","- C224 H208 Cl32 N16 O8 Zr8 -","4","1","","Holtrichter-Rößmann, Thorsten; Häger, Ina; Daniliuc, Constantin-Gabriel; Fröhlich, Roland; Bergander, Klaus; Troll, Carsten; Rieger, Bernhard; Rojas, René S.; Würthwein, Ernst-Ulrich","Catalytically Active N-Acylamidine‒Zirconium Complexes: Synthesis, Structures, and Application in Ethylene Polymerization","Organometallics","2016","35","11","1906","","10.1021/acs.organomet.6b00240","","","0.71073","MoKα","","0.0451","0.0436","","","0.1213","0.1234","","","","","","1.05","","","","has coordinates","237710","2020-10-21","18:00:00",""
"4088618","7.7506","0.0001","8.3383","0.0001","11.2037","0.0001","81.165","0.001","70.895","0.001","71.729","0.001","648.636","0.014","223","2","223","2","","","","","","","","4","P -1","-P 1","2","","","","- C14 H13 N3 O2 -","- C14 H13 N3 O2 -","- C28 H26 N6 O4 -","2","1","","Holtrichter-Rößmann, Thorsten; Häger, Ina; Daniliuc, Constantin-Gabriel; Fröhlich, Roland; Bergander, Klaus; Troll, Carsten; Rieger, Bernhard; Rojas, René S.; Würthwein, Ernst-Ulrich","Catalytically Active N-Acylamidine‒Zirconium Complexes: Synthesis, Structures, and Application in Ethylene Polymerization","Organometallics","2016","35","11","1906","","10.1021/acs.organomet.6b00240","","","1.54178","CuKα","","0.0387","0.0375","","","0.1001","0.1016","","","","","","1.055","","","","has coordinates","237712","2020-10-21","18:00:00",""
"4088619","18.6586","0.0005","18.6586","0.0005","11.1468","0.0002","90","","90","","90","","3880.68","0.16","223","2","223","2","","","","","","","","4","P -4 21 c","P -4 2n","114","","","","- C22 H24 N4 O -","- C22 H24 N4 O -","- C176 H192 N32 O8 -","8","1","","Holtrichter-Rößmann, Thorsten; Häger, Ina; Daniliuc, Constantin-Gabriel; Fröhlich, Roland; Bergander, Klaus; Troll, Carsten; Rieger, Bernhard; Rojas, René S.; Würthwein, Ernst-Ulrich","Catalytically Active N-Acylamidine‒Zirconium Complexes: Synthesis, Structures, and Application in Ethylene Polymerization","Organometallics","2016","35","11","1906","","10.1021/acs.organomet.6b00240","","","0.71073","MoKα","","0.1257","0.0758","","","0.1208","0.1403","","","","","","1.144","","","","has coordinates","237714","2020-10-21","18:00:00",""
"4088620","7.9953","0.0001","16.3071","0.0002","17.5627","0.0003","90","","90","","90","","2289.83","0.06","223","2","223","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C23 H19 Cl3 N4 O Zr -","- C23 H19 Cl3 N4 O Zr -","- C92 H76 Cl12 N16 O4 Zr4 -","4","1","","Holtrichter-Rößmann, Thorsten; Häger, Ina; Daniliuc, Constantin-Gabriel; Fröhlich, Roland; Bergander, Klaus; Troll, Carsten; Rieger, Bernhard; Rojas, René S.; Würthwein, Ernst-Ulrich","Catalytically Active N-Acylamidine‒Zirconium Complexes: Synthesis, Structures, and Application in Ethylene Polymerization","Organometallics","2016","35","11","1906","","10.1021/acs.organomet.6b00240","","","0.71073","MoKα","","0.0403","0.0377","","","0.0795","0.0818","","","","","","1.057","","","","has coordinates","237716","2020-10-21","18:00:00",""
"4088621","21.6589","0.0004","15.1951","0.0003","13.7325","0.0002","90","","107.786","0.001","90","","4303.48","0.13","223","2","223","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C44 H38 K2 N4 O2 -","- C44 H38 K2 N4 O2 -","- C176 H152 K8 N16 O8 -","4","1","","Holtrichter-Rößmann, Thorsten; Häger, Ina; Daniliuc, Constantin-Gabriel; Fröhlich, Roland; Bergander, Klaus; Troll, Carsten; Rieger, Bernhard; Rojas, René S.; Würthwein, Ernst-Ulrich","Catalytically Active N-Acylamidine‒Zirconium Complexes: Synthesis, Structures, and Application in Ethylene Polymerization","Organometallics","2016","35","11","1906","","10.1021/acs.organomet.6b00240","","","0.71073","MoKα","","0.0545","0.0507","","","0.1315","0.1356","","","","","","1.094","","","","has coordinates","237717","2020-10-21","18:00:00",""
"4088622","14.46","0.003","7.286","0.0009","13.2538","0.0018","90","","106.504","0.005","90","","1338.8","0.4","273","","273","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C11 H8 Cl4 O Ti -","- C11 H8 Cl4 O Ti -","- C44 H32 Cl16 O4 Ti4 -","4","1","","Zhao, Weizhen; Yan, Qing; Tsutsumi, Ken; Nomura, Kotohiro","Efficient Norbornene (NBE) Incorporation in Ethylene/NBE Copolymerization by Half-Titanocene Catalysts Containing Chlorinated Aryloxo Ligands","Organometallics","2016","35","11","1895","","10.1021/acs.organomet.6b00242","","","0.71075","MoKα","","","0.023","","","","0.057","","","","","","1.055","","","","has coordinates","237720","2020-10-21","18:00:00",""
"4088623","13.01","0.005","12.359","0.005","8.615","0.003","90","","90","","90","","1385.2","0.9","93","","93","","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C11 H7 Cl5 O Ti -","- C11 H7 Cl5 O Ti -","- C44 H28 Cl20 O4 Ti4 -","4","0.5","","Zhao, Weizhen; Yan, Qing; Tsutsumi, Ken; Nomura, Kotohiro","Efficient Norbornene (NBE) Incorporation in Ethylene/NBE Copolymerization by Half-Titanocene Catalysts Containing Chlorinated Aryloxo Ligands","Organometallics","2016","35","11","1895","","10.1021/acs.organomet.6b00242","","","0.71075","MoKα","","","0.0377","","","","0.2223","","","","","","1.183","","","","has coordinates","237720","2020-10-21","18:00:00",""
"4088624","15.009","0.012","16.988","0.012","13.031","0.011","90","","110.154","0.009","90","","3119","4","273","","273","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C11 H5 Cl7 O Ti -","- C11 H5 Cl7 O Ti -","- C88 H40 Cl56 O8 Ti8 -","8","1","","Zhao, Weizhen; Yan, Qing; Tsutsumi, Ken; Nomura, Kotohiro","Efficient Norbornene (NBE) Incorporation in Ethylene/NBE Copolymerization by Half-Titanocene Catalysts Containing Chlorinated Aryloxo Ligands","Organometallics","2016","35","11","1895","","10.1021/acs.organomet.6b00242","","","0.71075","MoKα","","","0.0405","","","","0.2142","","","","","","1.108","","","","has coordinates","237720","2020-10-21","18:00:00",""
"4088625","14.302","0.009","7.178","0.004","16.465","0.01","90","","106.473","0.007","90","","1620.9","1.7","273","","273","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H9 Cl5 O Ti -","- C15 H9 Cl5 O Ti -","- C60 H36 Cl20 O4 Ti4 -","4","1","","Zhao, Weizhen; Yan, Qing; Tsutsumi, Ken; Nomura, Kotohiro","Efficient Norbornene (NBE) Incorporation in Ethylene/NBE Copolymerization by Half-Titanocene Catalysts Containing Chlorinated Aryloxo Ligands","Organometallics","2016","35","11","1895","","10.1021/acs.organomet.6b00242","","","0.71075","MoKα","","","0.0435","","","","0.2423","","","","","","1.227","","","","has coordinates","237720","2020-10-21","18:00:00",""
"4088626","6.37","0.003","13.996","0.006","10.509","0.005","90","","101.353","0.006","90","","918.6","0.7","273","","273","","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C15 H7 Cl7 O Ti -","- C15 H7 Cl7 O Ti -","- C30 H14 Cl14 O2 Ti2 -","2","0.5","","Zhao, Weizhen; Yan, Qing; Tsutsumi, Ken; Nomura, Kotohiro","Efficient Norbornene (NBE) Incorporation in Ethylene/NBE Copolymerization by Half-Titanocene Catalysts Containing Chlorinated Aryloxo Ligands","Organometallics","2016","35","11","1895","","10.1021/acs.organomet.6b00242","","","0.71075","MoKα","","","0.0414","","","","0.2193","","","","","","1.182","","","","has coordinates","237720","2020-10-21","18:00:00",""
"4088627","7.583","0.006","12.613","0.009","15.659","0.012","90","","102.326","0.008","90","","1463.2","1.9","273","","273","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C13 H13 Cl3 O Ti -","- C13 H13 Cl3 O Ti -","- C52 H52 Cl12 O4 Ti4 -","4","1","","Zhao, Weizhen; Yan, Qing; Tsutsumi, Ken; Nomura, Kotohiro","Efficient Norbornene (NBE) Incorporation in Ethylene/NBE Copolymerization by Half-Titanocene Catalysts Containing Chlorinated Aryloxo Ligands","Organometallics","2016","35","11","1895","","10.1021/acs.organomet.6b00242","","","0.71075","MoKα","","","0.0365","","","","0.0876","","","","","","1.091","","","","has coordinates","237720","2020-10-21","18:00:00",""
"4088628","11.892","0.005","14.039","0.005","15.03","0.005","90","","90","","90","","2509.3","1.6","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C22 H45 Fe N O2 P2 -","- C22 H45 Fe N O2 P2 -","- C88 H180 Fe4 N4 O8 P8 -","4","1","","Schneck, Felix; Assmann, Maik; Balmer, Markus; Harms, Klaus; Langer, Robert","Selective Hydrogenation of Amides to Amines and Alcohols Catalyzed by Improved Iron Pincer Complexes","Organometallics","2016","35","11","1931","","10.1021/acs.organomet.6b00251","","","0.71073","MoKα","","0.0292","0.0257","","","0.0581","0.0592","","","","","","1.02","","","","has coordinates","237724","2020-10-21","18:00:00",""
"4088629","16.489","0.003","17.02","0.003","19.647","0.004","90","","90","","90","","5513.8","1.8","105","2","100.15","","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C29 H29 Br2 Fe N O P2 -","- C29 H29 Br2 Fe N O P2 -","- C232 H232 Br16 Fe8 N8 O8 P16 -","8","1","","Schneck, Felix; Assmann, Maik; Balmer, Markus; Harms, Klaus; Langer, Robert","Selective Hydrogenation of Amides to Amines and Alcohols Catalyzed by Improved Iron Pincer Complexes","Organometallics","2016","35","11","1931","","10.1021/acs.organomet.6b00251","","","0.71073","MoKα","","0.0911","0.0488","","","0.0847","0.0964","","","","","","1.056","","","","has coordinates,has disorder","237726","2020-10-21","18:00:00",""
"4088630","31.699","0.0019","11.9893","0.0007","17.2979","0.001","90","","105.538","0.003","90","","6333.8","0.7","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C56 H120 B6 N2 P4 -","- C56 H120 B6 N2 P4 -","- C224 H480 B24 N8 P16 -","4","0.5","","Schneck, Felix; Assmann, Maik; Balmer, Markus; Harms, Klaus; Langer, Robert","Selective Hydrogenation of Amides to Amines and Alcohols Catalyzed by Improved Iron Pincer Complexes","Organometallics","2016","35","11","1931","","10.1021/acs.organomet.6b00251","","","0.71073","MoKα","","0.0822","0.0696","","","0.1827","0.1955","","","","","","1.043","","","","has coordinates","237728","2020-10-21","18:00:00",""
"4088631","14.37","0.003","14.854","0.003","16.803","0.003","93.23","0.03","93.46","0.03","98.1","0.03","3536.7","1.2","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C66 H134 B3 Fe N2 O P4 -","- C66 H134 B3 Fe N2 O P4 -","- C132 H268 B6 Fe2 N4 O2 P8 -","2","1","","Schneck, Felix; Assmann, Maik; Balmer, Markus; Harms, Klaus; Langer, Robert","Selective Hydrogenation of Amides to Amines and Alcohols Catalyzed by Improved Iron Pincer Complexes","Organometallics","2016","35","11","1931","","10.1021/acs.organomet.6b00251","","","0.71073","MoKα","","0.0837","0.0731","","","0.2573","0.2657","","","","","","1.049","","","","has coordinates","237730","2020-10-21","18:00:00",""
"4088632","6.4856","0.0008","15.051","0.004","17.126","0.004","68.713","0.018","89.288","0.016","78.376","0.015","1522.4","0.6","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H59 B2 N P2 -","- C28 H59 B2 N P2 -","- C56 H118 B4 N2 P4 -","2","1","","Schneck, Felix; Assmann, Maik; Balmer, Markus; Harms, Klaus; Langer, Robert","Selective Hydrogenation of Amides to Amines and Alcohols Catalyzed by Improved Iron Pincer Complexes","Organometallics","2016","35","11","1931","","10.1021/acs.organomet.6b00251","","","0.71073","MoKα","","0.1048","0.0416","","","0.0663","0.0773","","","","","","0.588","","","","has coordinates","237732","2020-10-21","18:00:00",""
"4088633","7.816","0.0016","13.282","0.003","18.765","0.004","90","","100.14","0.03","90","","1917.6","0.7","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C13 H29 Br2 Fe N O P2 -","- C13 H29 Br2 Fe N O P2 -","- C52 H116 Br8 Fe4 N4 O4 P8 -","4","1","","Schneck, Felix; Assmann, Maik; Balmer, Markus; Harms, Klaus; Langer, Robert","Selective Hydrogenation of Amides to Amines and Alcohols Catalyzed by Improved Iron Pincer Complexes","Organometallics","2016","35","11","1931","","10.1021/acs.organomet.6b00251","","","0.71073","MoKα","","0.0266","0.0247","","","0.0595","0.0604","","","","","","1.11","","","","has coordinates","237733","2020-10-21","18:00:00",""
"4088634","11.52832","0.00016","18.607","0.0002","17.9724","0.0003","90","","106.356","0.0015","90","","3699.2","0.09","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C31 H60 N2 O5 Si2 Yb -","- C31 H60 N2 O5 Si2 Yb -","- C124 H240 N8 O20 Si8 Yb4 -","4","1","","Basalov, Ivan V.; Liu, Bo; Roisnel, Thierry; Cherkasov, Anton V.; Fukin, Georgy K.; Carpentier, Jean-François; Sarazin, Yann; Trifonov, Alexander A.","Amino Ether‒Phenolato Precatalysts of Divalent Rare Earths and Alkaline Earths for the Single and Double Hydrophosphination of Activated Alkenes","Organometallics","2016","35","19","3261","","10.1021/acs.organomet.6b00252","","","0.71073","MoKα","","0.0358","0.0319","","","0.0712","0.0725","","","","","","1.175","","","","has coordinates","237735","2020-10-21","18:00:00",""
"4088635","7.3906","0.0005","10.8532","0.0005","26.5171","0.0012","90","","90","","90","","2127","0.2","123","","123","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C20 H18 Ge2 S4 -","- C20 H18 Ge2 S4 -","- C80 H72 Ge8 S16 -","4","1","","Nakamura, Masashi; Ooyama, Yousuke; Hayakawa, Shinjiro; Nishino, Makoto; Ohshita, Joji","Synthesis of Poly(dithienogermole)s","Organometallics","2016","35","14","2333","","10.1021/acs.organomet.6b00263","","","0.71075","MoKα","","0.0288","0.0242","","","0.0722","0.0787","","","","","","0.626","","","","has coordinates","237737","2020-10-21","18:00:00",""
"4088636","9.0424","0.0004","16.1531","0.0007","19.6745","0.0009","90","","101.304","0.001","90","","2818","0.2","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C27 H51 N Os P2 -","- C27 H51 N Os P2 -","- C108 H204 N4 Os4 P8 -","4","1","","Esteruelas, Miguel A.; Larramona, Carmen; Oñate, Enrique","Osmium-Mediated Direct C‒H Bond Activation at the 8-Position of Quinolines","Organometallics","2016","35","11","1597","","10.1021/acs.organomet.6b00264","","","0.71073","MoKα","","0.0315","0.0256","","","0.0572","0.0608","","","","","","0.977","","","","has coordinates,has disorder","237739","2020-10-21","18:00:00",""
"4088637","8.9257","0.0014","16.717","0.003","20.972","0.003","107.975","0.002","91.234","0.003","95.736","0.002","2957.1","0.8","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H53 N Os P2 -","- C28 H53 N Os P2 -","- C112 H212 N4 Os4 P8 -","4","2","","Esteruelas, Miguel A.; Larramona, Carmen; Oñate, Enrique","Osmium-Mediated Direct C‒H Bond Activation at the 8-Position of Quinolines","Organometallics","2016","35","11","1597","","10.1021/acs.organomet.6b00264","","","0.71073","MoKα","","0.0715","0.0399","","","0.066","0.0745","","","","","","0.996","","","","has coordinates","237739","2020-10-21","18:00:00",""
"4088638","7.6712","0.0002","10.7861","0.0002","10.8306","0.0002","64.332","0.001","83.343","0.001","77.207","0.001","787.46","0.03","100","2","100","2","","","","","","","","6","P 1","P 1","1","","","","- C36 H36 Fe2 O2 S2 Sn -","- C36 H36 Fe2 O2 S2 Sn -","- C36 H36 Fe2 O2 S2 Sn -","1","1","","Chen, Jiawei; Tagne Kuate, Alain C.; Lalancette, Roger A.; Jäkle, Frieder","Heteroatom-Bridged ortho-Biferrocenes: Stereoselective Synthesis, Structural Features, and Electrochemical Properties","Organometallics","2016","35","11","1964","","10.1021/acs.organomet.6b00272","","","1.54178","CuKα","","0.025","0.025","","","0.06","0.06","","","","","","1.04","","","","has coordinates","237741","2020-10-21","18:00:00",""
"4088639","13.2479","0.0004","13.5201","0.0004","13.9401","0.0006","90","","117.891","0.002","90","","2206.82","0.14","100","2","100","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C24 H28 Fe2 Si Sn -","- C24 H28 Fe2 Si Sn -","- C96 H112 Fe8 Si4 Sn4 -","4","1","","Chen, Jiawei; Tagne Kuate, Alain C.; Lalancette, Roger A.; Jäkle, Frieder","Heteroatom-Bridged ortho-Biferrocenes: Stereoselective Synthesis, Structural Features, and Electrochemical Properties","Organometallics","2016","35","11","1964","","10.1021/acs.organomet.6b00272","","","1.54178","CuKα","","0.052","0.05","","","0.114","0.117","","","","","","1.17","","","","has coordinates","237741","2020-10-21","18:00:00",""
"4088640","12.1285","0.0002","13.3506","0.0002","15.4421","0.0002","90","","90","","90","","2500.43","0.06","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C26 H34 B Fe2 P Sn -","- C26 H34 B Fe2 P Sn -","- C104 H136 B4 Fe8 P4 Sn4 -","4","1","","Chen, Jiawei; Tagne Kuate, Alain C.; Lalancette, Roger A.; Jäkle, Frieder","Heteroatom-Bridged ortho-Biferrocenes: Stereoselective Synthesis, Structural Features, and Electrochemical Properties","Organometallics","2016","35","11","1964","","10.1021/acs.organomet.6b00272","","","1.54178","CuKα","","0.019","0.018","","","0.044","0.044","","","","","","1.05","","","","has coordinates","237741","2020-10-21","18:00:00",""
"4088641","9.0969","0.0002","7.333","0.0001","17.4165","0.0003","90","","93.957","0.001","90","","1159.04","0.04","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C28 H27 B Fe2 Si -","- C28 H27 B Fe2 Si -","- C56 H54 B2 Fe4 Si2 -","2","1","","Chen, Jiawei; Tagne Kuate, Alain C.; Lalancette, Roger A.; Jäkle, Frieder","Heteroatom-Bridged ortho-Biferrocenes: Stereoselective Synthesis, Structural Features, and Electrochemical Properties","Organometallics","2016","35","11","1964","","10.1021/acs.organomet.6b00272","","","1.54178","CuKα","","0.026","0.025","","","0.062","0.062","","","","","","1.01","","","","has coordinates","237741","2020-10-21","18:00:00",""
"4088642","8.8972","0.0005","30.4518","0.0016","14.7845","0.0008","90","","103.001","0.001","90","","3903","0.4","206","2","206","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H30 Fe O -","- C22 H30 Fe O -","- C176 H240 Fe8 O8 -","8","2","","Taylor, Kathleen H.; Kalman, Steven E.; Gunnoe, T. Brent; Sabat, Michal","Combined Furan C‒H Activation and Furyl Ring-Opening by an Iron(II) Complex","Organometallics","2016","35","11","1978","","10.1021/acs.organomet.6b00276","","","0.71073","MoKα","","0.0614","0.0492","","","0.1177","0.1268","","","","","","1.15","","","","has coordinates","237743","2020-10-21","18:00:00",""
"4088643","10.928","0.003","11.64","0.003","13.281","0.004","97.867","0.005","91.907","0.005","113.01","0.005","1533.3","0.7","203","2","203","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H40 Fe O7 P2 -","- C26 H40 Fe O7 P2 -","- C52 H80 Fe2 O14 P4 -","2","1","","Taylor, Kathleen H.; Kalman, Steven E.; Gunnoe, T. Brent; Sabat, Michal","Combined Furan C‒H Activation and Furyl Ring-Opening by an Iron(II) Complex","Organometallics","2016","35","11","1978","","10.1021/acs.organomet.6b00276","","","0.71073","MoKα","","0.1561","0.0942","","","0.2344","0.2132","","","","","","1.233","","","","has coordinates","237745","2020-10-21","18:00:00",""
"4088644","12.0336","0.0004","8.753","0.0003","28.6544","0.0008","90","","102.111","0.0011","90","","2951","0.16","123","2","123","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C32 H42 N2 O2 Ru2 -","- C32 H42 N2 O2 Ru2 -","- C128 H168 N8 O8 Ru8 -","4","1","","Nagaoka, Masahiro; Kawashima, Takashi; Suzuki, Hiroharu; Takao, Toshiro","Dehydrogenative Coupling of 4-Substituted Pyridines Catalyzed by a Trinuclear Complex of Ruthenium and Cobalt","Organometallics","2016","35","14","2348","","10.1021/acs.organomet.6b00277","","","0.71069","MoKα","","0.0276","0.0235","","","0.0568","0.0587","","","","","","1.05","","","","has coordinates","237747","2020-10-21","18:00:00",""
"4088645","9.3575","0.0012","10.5822","0.0012","10.6591","0.0012","113.522","0.003","106.077","0.004","93.945","0.004","910.48","0.19","123","2","123","2","","","","","","","","4","P -1","-P 1","2","","","","- C22 H27 Co N2 -","- C22 H27 Co N2 -","- C44 H54 Co2 N4 -","2","1","","Nagaoka, Masahiro; Kawashima, Takashi; Suzuki, Hiroharu; Takao, Toshiro","Dehydrogenative Coupling of 4-Substituted Pyridines Catalyzed by a Trinuclear Complex of Ruthenium and Cobalt","Organometallics","2016","35","14","2348","","10.1021/acs.organomet.6b00277","","","0.71069","MoKα","","0.1446","0.0783","","","0.1833","0.2455","","","","","","1.136","","","","has coordinates","237747","2020-10-21","18:00:00",""
"4088646","11.7127","0.0006","13.9723","0.0006","14.2409","0.0008","73.4","0.0016","74.352","0.0018","70.235","0.0014","2062.77","0.18","128","2","128","2","","","","","","","","5","P -1","-P 1","2","","","","- C44 H60 Co N2 Ru2 -","- C44 H45 Co N2 Ru2 -","- C88 H90 Co2 N4 Ru4 -","2","1","","Nagaoka, Masahiro; Kawashima, Takashi; Suzuki, Hiroharu; Takao, Toshiro","Dehydrogenative Coupling of 4-Substituted Pyridines Catalyzed by a Trinuclear Complex of Ruthenium and Cobalt","Organometallics","2016","35","14","2348","","10.1021/acs.organomet.6b00277","","","0.71069","MoKα","","0.0319","0.0281","","","0.0726","0.0747","","","","","","1.074","","","","has coordinates,has disorder","237747","2020-10-21","18:00:00",""
"4088647","9.0941","0.0004","10.9854","0.0005","17.6963","0.0008","84.25","0.0012","88.121","0.0016","80.34","0.0016","1733.84","0.14","123","2","123","2","","","","","","","","6","P -1","-P 1","2","","","","- C36 H51 Co F3 N Ru2 -","- C36 H51 Co F3 N Ru2 -","- C72 H102 Co2 F6 N2 Ru4 -","2","1","","Nagaoka, Masahiro; Kawashima, Takashi; Suzuki, Hiroharu; Takao, Toshiro","Dehydrogenative Coupling of 4-Substituted Pyridines Catalyzed by a Trinuclear Complex of Ruthenium and Cobalt","Organometallics","2016","35","14","2348","","10.1021/acs.organomet.6b00277","","","0.71069","MoKα","","0.0412","0.0323","","","0.0743","0.0791","","","","","","1.043","","","","has coordinates","237747","2020-10-21","18:00:00",""
"4088648","13.8717","0.0005","17.7171","0.0005","14.1363","0.0006","90","","104.144","0.0014","90","","3368.9","0.2","123","2","123","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C36 H54 N Rh Ru2 -","- C36 H54 N Rh Ru2 -","- C144 H216 N4 Rh4 Ru8 -","4","1","","Nagaoka, Masahiro; Kawashima, Takashi; Suzuki, Hiroharu; Takao, Toshiro","Dehydrogenative Coupling of 4-Substituted Pyridines Catalyzed by a Trinuclear Complex of Ruthenium and Cobalt","Organometallics","2016","35","14","2348","","10.1021/acs.organomet.6b00277","","","0.71069","MoKα","","0.0326","0.0237","","","0.0513","0.0555","","","","","","1.04","","","","has coordinates","237747","2020-10-21","18:00:00",""
"4088649","10.8621","0.0011","11.0651","0.0009","15.7699","0.0013","99.09","0.003","91.631","0.003","113.366","0.003","1709.4","0.3","123","2","123","2","","","","","","","","5","P -1","-P 1","2","","","","- C36 H54 Ir N Ru2 -","- C36 H21 Ir N Ru2 -","- C72 H42 Ir2 N2 Ru4 -","2","1","","Nagaoka, Masahiro; Kawashima, Takashi; Suzuki, Hiroharu; Takao, Toshiro","Dehydrogenative Coupling of 4-Substituted Pyridines Catalyzed by a Trinuclear Complex of Ruthenium and Cobalt","Organometallics","2016","35","14","2348","","10.1021/acs.organomet.6b00277","","","0.71069","MoKα","","0.0577","0.0504","","","0.128","0.1331","","","","","","1.031","","","","has coordinates,has disorder","237747","2020-10-21","18:00:00",""
"4088650","15.3055","0.0007","9.788","0.0004","19.7121","0.0009","90","","108.81","0.005","90","","2795.4","0.2","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C30 H52 Mn -","- C30 H52 Mn -","- C120 H208 Mn4 -","4","1","","Reiners, Matthias; Baabe, Dirk; Freytag, Matthias; Jones, Peter G.; Walter, Marc D.","Closing the Gap: Preparation and Characterization of the First Half-Open and Open Manganocene Complexes","Organometallics","2016","35","11","1986","","10.1021/acs.organomet.6b00281","","","0.71073","MoKα","","0.071","0.0419","","","0.0827","0.0946","","","","","","1.029","","","","has coordinates","237750","2020-10-21","18:00:00",""
"4088651","10.1685","0.0003","27.0688","0.0006","20.3896","0.0005","90","","92.203","0.003","90","","5608.1","0.2","150","2","150","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C30 H50 Mn -","- C30 H50 Mn -","- C240 H400 Mn8 -","8","2","","Reiners, Matthias; Baabe, Dirk; Freytag, Matthias; Jones, Peter G.; Walter, Marc D.","Closing the Gap: Preparation and Characterization of the First Half-Open and Open Manganocene Complexes","Organometallics","2016","35","11","1986","","10.1021/acs.organomet.6b00281","","","1.54184","CuKα","","0.0649","0.0599","","","0.1188","0.121","","","","","","1.195","","","","has coordinates,has disorder","237750","2020-10-21","18:00:00",""
"4088652","21.2311","0.0013","12.0793","0.0006","20.8194","0.001","90","","106.741","0.006","90","","5113","0.5","130","2","130","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C26 H46 Mn -","- C26 H46 Mn -","- C208 H368 Mn8 -","8","1","","Reiners, Matthias; Baabe, Dirk; Freytag, Matthias; Jones, Peter G.; Walter, Marc D.","Closing the Gap: Preparation and Characterization of the First Half-Open and Open Manganocene Complexes","Organometallics","2016","35","11","1986","","10.1021/acs.organomet.6b00281","","","1.54184","CuKα","","0.0432","0.0363","","","0.0914","0.0969","","","","","","1.063","","","","has coordinates","288507","2023-12-22","15:51:22",""
"4088653","14.3756","0.0002","9.14393","0.0001","26.373","0.0003","90","","102.611","0.002","90","","3383.08","0.08","130","2","130","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C36 H56 Mn3 -","- C36 H56 Mn3 -","- C144 H224 Mn12 -","4","1","","Reiners, Matthias; Baabe, Dirk; Freytag, Matthias; Jones, Peter G.; Walter, Marc D.","Closing the Gap: Preparation and Characterization of the First Half-Open and Open Manganocene Complexes","Organometallics","2016","35","11","1986","","10.1021/acs.organomet.6b00281","","","1.54184","CuKα","","0.0385","0.0362","","","0.0885","0.09","","","","","","1.113","","","","has coordinates","288507","2023-12-22","15:51:22",""
"4088654","14.9991","0.0006","9.8929","0.0004","11.4925","0.0005","90","","111.814","0.005","90","","1583.2","0.13","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C10 H10 Mn -","- C10 H10 Mn -","- C80 H80 Mn8 -","8","2","","Reiners, Matthias; Baabe, Dirk; Freytag, Matthias; Jones, Peter G.; Walter, Marc D.","Closing the Gap: Preparation and Characterization of the First Half-Open and Open Manganocene Complexes","Organometallics","2016","35","11","1986","","10.1021/acs.organomet.6b00281","","","0.71073","MoKα","","0.0452","0.0343","","","0.0696","0.0749","","","","","","1.062","","","","has coordinates,has disorder","237750","2020-10-21","18:00:00",""
"4088655","16.5344","0.0019","11.3397","0.0013","17.0203","0.0019","90","","107.735","0.002","90","","3039.6","0.6","133","2","133","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C32 H44 B N O2 Si Sm -","- C32 H44 B N O2 Si Sm -","- C128 H176 B4 N4 O8 Si4 Sm4 -","4","1","","Wang, Chunhong; Xiang, Li; Leng, Xuebing; Chen, Yaofeng","Synthesis and Structure of Silicon-Bridged Boratabenzene Fluorenyl Rare-Earth Metal Complexes","Organometallics","2016","35","11","1995","","10.1021/acs.organomet.6b00282","","","0.71073","MoKα","","0.0332","0.0284","","","0.0712","0.0765","","","","","","1.062","","","","has coordinates,has disorder","237754","2020-10-21","18:00:00",""
"4088656","16.5521","0.0015","11.1432","0.001","17.064","0.0015","90","","108.017","0.001","90","","2993","0.5","133","2","133.15","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C32 H44 B N O2 Si Yb -","- C32 H44 B N O2 Si Yb -","- C128 H176 B4 N4 O8 Si4 Yb4 -","4","1","","Wang, Chunhong; Xiang, Li; Leng, Xuebing; Chen, Yaofeng","Synthesis and Structure of Silicon-Bridged Boratabenzene Fluorenyl Rare-Earth Metal Complexes","Organometallics","2016","35","11","1995","","10.1021/acs.organomet.6b00282","","","0.71073","MoKα","","0.0261","0.0199","","","0.044","0.0463","","","","","","1.068","","","","has coordinates,has disorder","237754","2020-10-21","18:00:00",""
"4088657","21.1436","0.0015","36.891","0.003","20.4285","0.0014","90","","114.148","0.001","90","","14540","1.9","140","2","140","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C74.5 H84 B2 N2 Si2 Yb2 -","- C74.5 H84 B2 N2 Si2 Yb2 -","- C596 H672 B16 N16 Si16 Yb16 -","8","2","","Wang, Chunhong; Xiang, Li; Leng, Xuebing; Chen, Yaofeng","Synthesis and Structure of Silicon-Bridged Boratabenzene Fluorenyl Rare-Earth Metal Complexes","Organometallics","2016","35","11","1995","","10.1021/acs.organomet.6b00282","","","0.71073","MoKα","","0.0635","0.0504","","","0.1337","0.1427","","","","","","0.952","","","","has coordinates","252331","2020-10-21","18:00:00",""
"4088658","41.835","0.002","41.835","0.002","41.835","0.002","32.8","","32.8","","32.8","","19114.3","1.6","133","2","133","2","","","","","","","","9","R -3 c :R","-P 3* 2n","167","","","","- C140 H220 B3 Cl8 Li5 N3 Nd3 O17 Si3 -","- C138 H156 B3 Cl8 Li5.005 N3 Nd3 O16.5 Si3 -","- C552 H624 B12 Cl32 Li20.02 N12 Nd12 O66 Si12 -","4","0.333333","","Wang, Chunhong; Xiang, Li; Leng, Xuebing; Chen, Yaofeng","Synthesis and Structure of Silicon-Bridged Boratabenzene Fluorenyl Rare-Earth Metal Complexes","Organometallics","2016","35","11","1995","","10.1021/acs.organomet.6b00282","","","0.71073","MoKα","","0.0949","0.0732","","","0.2017","0.2215","","","","","","1.098","","","","has coordinates,has disorder","237754","2020-10-21","18:00:00",""
"4088659","41.708","0.004","41.708","0.004","41.708","0.004","32.78","","32.78","","32.78","","18920","3","133","2","133","2","","","","","","","","9","R -3 c :R","-P 3* 2n","167","","","","- C140 H220 B3 Cl8 Li5 N3 O17 Si3 Sm3 -","- C138 H156 B3 Cl8 Li5.005 N3 O16.5 Si3 Sm3 -","- C552 H624 B12 Cl32 Li20.02 N12 O66 Si12 Sm12 -","4","0.333333","","Wang, Chunhong; Xiang, Li; Leng, Xuebing; Chen, Yaofeng","Synthesis and Structure of Silicon-Bridged Boratabenzene Fluorenyl Rare-Earth Metal Complexes","Organometallics","2016","35","11","1995","","10.1021/acs.organomet.6b00282","","","0.71073","MoKα","","0.1614","0.0971","","","0.2611","0.3873","","","","","","1.025","","","","has coordinates,has disorder","237754","2020-10-21","18:00:00",""
"4088660","41.668","0.004","41.668","0.004","41.668","0.004","33.007","0.002","33.007","0.002","33.007","0.002","19105","3","133","2","133","2","","","","","","","","9","R -3 c :R","-P 3* 2n","167","","","","- C140 H220 B3 Cl8 Gd3 Li5 N3 O17 Si3 -","- C138 H156 B3 Cl8 Gd3 Li5.005 N3 O16.5 Si3 -","- C552 H624 B12 Cl32 Gd12 Li20.02 N12 O66 Si12 -","4","0.333333","","Wang, Chunhong; Xiang, Li; Leng, Xuebing; Chen, Yaofeng","Synthesis and Structure of Silicon-Bridged Boratabenzene Fluorenyl Rare-Earth Metal Complexes","Organometallics","2016","35","11","1995","","10.1021/acs.organomet.6b00282","","","0.71073","MoKα","","0.1791","0.0987","","","0.2289","0.2639","","","","","","1.038","","","","has coordinates,has disorder","237754","2020-10-21","18:00:00",""
"4088661","9.258","0.0005","11.3088","0.0007","15.0949","0.0009","102.362","0.001","103.967","0.001","108.241","0.001","1382.8","0.14","133","2","133.15","","","","","","","","","8","P -1","-P 1","2","","","","- C28 H36 B I La N O Si -","- C28 H36 B I La N O Si -","- C56 H72 B2 I2 La2 N2 O2 Si2 -","2","1","","Wang, Chunhong; Xiang, Li; Leng, Xuebing; Chen, Yaofeng","Synthesis and Structure of Silicon-Bridged Boratabenzene Fluorenyl Rare-Earth Metal Complexes","Organometallics","2016","35","11","1995","","10.1021/acs.organomet.6b00282","","","0.71073","MoKα","","0.0233","0.0191","","","0.045","0.0466","","","","","","1.036","","","","has coordinates","237754","2020-10-21","18:00:00",""
"4088662","9.2648","0.0016","11.2797","0.0019","15.106","0.003","102.536","0.002","103.535","0.002","108.87","0.002","1376.8","0.4","173","2","173.15","","","","","","","","","8","P -1","-P 1","2","","","","- C28 H36 B I N Nd O Si -","- C28 H36 B I N Nd O Si -","- C56 H72 B2 I2 N2 Nd2 O2 Si2 -","2","1","","Wang, Chunhong; Xiang, Li; Leng, Xuebing; Chen, Yaofeng","Synthesis and Structure of Silicon-Bridged Boratabenzene Fluorenyl Rare-Earth Metal Complexes","Organometallics","2016","35","11","1995","","10.1021/acs.organomet.6b00282","","","0.71073","MoKα","","0.0276","0.0255","","","0.0667","0.0683","","","","","","1.019","","","","has coordinates","237754","2020-10-21","18:00:00",""
"4088663","18.5501","0.0017","14.4106","0.0013","13.5139","0.0012","90","","109.277","0.001","90","","3410","0.5","132","2","132.65","","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C35 H44 B Gd I N O Si -","- C35 H44 B Gd I N O Si -","- C140 H176 B4 Gd4 I4 N4 O4 Si4 -","4","1","","Wang, Chunhong; Xiang, Li; Leng, Xuebing; Chen, Yaofeng","Synthesis and Structure of Silicon-Bridged Boratabenzene Fluorenyl Rare-Earth Metal Complexes","Organometallics","2016","35","11","1995","","10.1021/acs.organomet.6b00282","","","0.71073","MoKα","","0.0607","0.044","","","0.0943","0.1089","","","","","","1.102","","","","has coordinates","237754","2020-10-21","18:00:00",""
"4088664","20.555","0.005","20.555","0.005","16.443","0.004","90","","90","","90","","6947","3","140","2","140.15","","","","","","","","","7","I -4","I -4","82","","","","- C37 H48 B La N2 O Si -","- C37 H48 B La N2 O Si -","- C296 H384 B8 La8 N16 O8 Si8 -","8","1","","Wang, Chunhong; Xiang, Li; Leng, Xuebing; Chen, Yaofeng","Synthesis and Structure of Silicon-Bridged Boratabenzene Fluorenyl Rare-Earth Metal Complexes","Organometallics","2016","35","11","1995","","10.1021/acs.organomet.6b00282","","","0.71073","MoKα","","0.0809","0.0551","","","0.1375","0.1606","","","","","","1.071","","","","has coordinates","237754","2020-10-21","18:00:00",""
"4088665","9.482","0.003","16.964","0.005","21.258","0.007","90","","90","","90","","3419.4","1.9","140","2","140.15","","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C37 H48 B Gd N2 O Si -","- C37 H48 B Gd N2 O Si -","- C148 H192 B4 Gd4 N8 O4 Si4 -","4","1","","Wang, Chunhong; Xiang, Li; Leng, Xuebing; Chen, Yaofeng","Synthesis and Structure of Silicon-Bridged Boratabenzene Fluorenyl Rare-Earth Metal Complexes","Organometallics","2016","35","11","1995","","10.1021/acs.organomet.6b00282","","","0.71073","MoKα","","0.0829","0.0809","","","0.1895","0.1908","","","","","","1.072","","","","has coordinates,has disorder","237754","2020-10-21","18:00:00",""
"4088666","13.387","0.004","20.458","0.005","22.328","0.006","90","","90","","90","","6115","3","140","2","140.15","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C33 H40 B Gd N2 Si -","- C33 H40 B Gd N2 Si -","- C264 H320 B8 Gd8 N16 Si8 -","8","1","","Wang, Chunhong; Xiang, Li; Leng, Xuebing; Chen, Yaofeng","Synthesis and Structure of Silicon-Bridged Boratabenzene Fluorenyl Rare-Earth Metal Complexes","Organometallics","2016","35","11","1995","","10.1021/acs.organomet.6b00282","","","0.71073","MoKα","","0.1266","0.0596","","","0.125","0.1522","","","","","","0.997","","","","has coordinates","237754","2020-10-21","18:00:00",""
"4088667","29.856","0.003","11.6893","0.0011","27.498","0.003","90","","111.766","0.002","90","","8912.5","1.6","100","","100","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","Co(H)(CNArMes2)4","hydridotetrakis(2,6-dimesitylphenylioscyanide)cobalt","","- C110 H125 Co N4 -","- C110 H125 Co N4 -","- C440 H500 Co4 N16 -","4","0.5","","Carpenter, Alex E.; Rheingold, Arnold L.; Figueroa, Joshua S.","A Well-Defined Isocyano Analogue of HCo(CO)4. 1: Synthesis, Decomposition, and Catalytic 1,1-Hydrogenation of Isocyanides","Organometallics","2016","35","14","2309","","10.1021/acs.organomet.6b00297","","","0.71073","MoKα","","0.0945","0.0564","","","0.1455","0.168","","","","","","1.022","","","","has coordinates,has disorder","237758","2020-10-21","18:00:00",""
"4088668","27.4917","0.0008","27.4917","0.0008","11.728","0.0005","90","","90","","90","","8863.9","0.5","100","","100","","","","","","","","","4","I -4 2 d","I -4 2bw","122","Co(H)(CNArMes2)4","hydridotetrakis(2,6-dimesitylphenylioscyanide)cobalt","","- C112 H128 Co N4 -","- C112 H128 Co N4 -","- C448 H512 Co4 N16 -","4","0.25","","Carpenter, Alex E.; Rheingold, Arnold L.; Figueroa, Joshua S.","A Well-Defined Isocyano Analogue of HCo(CO)4. 1: Synthesis, Decomposition, and Catalytic 1,1-Hydrogenation of Isocyanides","Organometallics","2016","35","14","2309","","10.1021/acs.organomet.6b00297","","","1.54178","CuKα","","0.0439","0.0369","","","0.0923","0.0956","","","","","","1.042","","","","has coordinates,has disorder","237758","2020-10-21","18:00:00",""
"4088669","11.3496","0.0005","15.7745","0.0007","18.5671","0.0008","94.906","0.003","106.63","0.003","110.407","0.002","2921","0.2","90","","90","","","","","","","","","4","P -1","-P 1","2","Co(HCNArMes2)(CNArMEs2)","","","- C37.5 H38.5 Co0.75 N1.5 -","- C37.5 H38.5 Co0.75 N1.5 -","- C150 H154 Co3 N6 -","4","2","","Carpenter, Alex E.; Rheingold, Arnold L.; Figueroa, Joshua S.","A Well-Defined Isocyano Analogue of HCo(CO)4. 1: Synthesis, Decomposition, and Catalytic 1,1-Hydrogenation of Isocyanides","Organometallics","2016","35","14","2309","","10.1021/acs.organomet.6b00297","","","0.71073","MoKα","","0.089","0.0548","","","0.1236","0.1368","","","","","","1.033","","","","has coordinates,has disorder","237758","2020-10-21","18:00:00",""
"4088670","11.0857","0.0003","12.274","0.0004","24.3169","0.0008","104.305","0.001","94.565","0.001","105.824","0.001","3046.04","0.17","100","","100","","","","","","","","","4","P -1","-P 1","2","Co(Mes2ArNC-C(H)NARMes2)(CNArMes2)","","","- C75 H76 Co N3 -","- C75 H76 Co N3 -","- C150 H152 Co2 N6 -","2","1","","Carpenter, Alex E.; Rheingold, Arnold L.; Figueroa, Joshua S.","A Well-Defined Isocyano Analogue of HCo(CO)4. 1: Synthesis, Decomposition, and Catalytic 1,1-Hydrogenation of Isocyanides","Organometallics","2016","35","14","2309","","10.1021/acs.organomet.6b00297","","","0.71073","MoKα","","0.0714","0.0434","","","0.0939","0.1048","","","","","","1.019","","","","has coordinates","237758","2020-10-21","18:00:00",""
"4088671","6.4717","0.0007","23.848","0.002","12.7063","0.0013","90","","90","","90","","1961.1","0.3","100","2","100","","","","","","","","","3","P n m a","-P 2ac 2n","62","2,6-dimesitylphenylmethyleneimine","2,2"".4,4"",6,6""-hexamethyl-N-methylene-{1,1':3',1""-terphenyl]-2'amine","","- C25 H27 N -","- C25 H27 N -","- C100 H108 N4 -","4","0.5","","Carpenter, Alex E.; Rheingold, Arnold L.; Figueroa, Joshua S.","A Well-Defined Isocyano Analogue of HCo(CO)4. 1: Synthesis, Decomposition, and Catalytic 1,1-Hydrogenation of Isocyanides","Organometallics","2016","35","14","2309","","10.1021/acs.organomet.6b00297","","","1.54178","CuKα","","0.0872","0.0564","","","0.1306","0.1471","","","","","","1.057","","","","has coordinates","237758","2020-10-21","18:00:00",""
"4088672","14.7093","0.0006","20.7346","0.0008","24.4314","0.0011","88.505","0.002","84.345","0.002","86.695","0.001","7401.2","0.5","100","2","100.15","","","","","","","","","5","P -1","-P 1","2","CoH(t-BuNC)(CNArMes2)3","'hydridotetrakis(2,6-dimesitylphenylioscyanide)(tert-butylisocyanide)cobalt'","","- C171.25 H186.75 Co2 N8.5 O0.25 -","- C171.25 H186.75 Co2 N8.5 O0.25 -","- C342.5 H373.5 Co4 N17 O0.5 -","2","1","","Carpenter, Alex E.; Rheingold, Arnold L.; Figueroa, Joshua S.","A Well-Defined Isocyano Analogue of HCo(CO)4. 1: Synthesis, Decomposition, and Catalytic 1,1-Hydrogenation of Isocyanides","Organometallics","2016","35","14","2309","","10.1021/acs.organomet.6b00297","","","0.71073","MoKα","","0.115","0.0631","","","0.1545","0.1802","","","","","","1.036","","","","has coordinates,has disorder","237758","2020-10-21","18:00:00",""
"4088673","13.365","0.004","14.291","0.004","21.974","0.005","104.196","0.008","90.338","0.009","116.827","0.008","3597.8","1.7","90","2","90","","","","","","","","","5","P -1","-P 1","2","Co(H)(CNArMes2)3(XylNC)","","","- C90 H100 Co N4 O -","- C84 H85 Co N4 -","- C168 H170 Co2 N8 -","2","1","","Carpenter, Alex E.; Rheingold, Arnold L.; Figueroa, Joshua S.","A Well-Defined Isocyano Analogue of HCo(CO)4. 1: Synthesis, Decomposition, and Catalytic 1,1-Hydrogenation of Isocyanides","Organometallics","2016","35","14","2309","","10.1021/acs.organomet.6b00297","","","0.71073","MoKα","","0.1172","0.0612","","","0.1338","0.1563","","","","","","1.016","","","","has coordinates,has disorder","237758","2020-10-21","18:00:00",""
"4088674","13.363","0.002","15.442","0.002","17.94","0.003","98.851","0.005","91.101","0.005","110.393","0.004","3418","0.9","100","2","100","","","","","","","","","5","P -1","-P 1","2","CoH(PMe3)(CNArMes2)3","","","- C80 H88 Co N4 P -","- C80 H88 Co N4 P -","- C160 H176 Co2 N8 P2 -","2","1","","Carpenter, Alex E.; Rheingold, Arnold L.; Figueroa, Joshua S.","A Well-Defined Isocyano Analogue of HCo(CO)4. 1: Synthesis, Decomposition, and Catalytic 1,1-Hydrogenation of Isocyanides","Organometallics","2016","35","14","2309","","10.1021/acs.organomet.6b00297","","","0.71073","MoKα","","0.0507","0.0376","","","0.0953","0.1034","","","","","","1.016","","","","has coordinates,has disorder","237758","2020-10-21","18:00:00",""
"4088675","22.971","0.009","15.184","0.005","43.841","0.015","90","","94.636","0.019","90","","15241","9","100","2","100.15","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","CoH(PPh3)(CNArMes2)3","","","- C96.5 H95 Co N3 P -","- C96.5 H95 Co N3 P -","- C772 H760 Co8 N24 P8 -","8","1","","Carpenter, Alex E.; Rheingold, Arnold L.; Figueroa, Joshua S.","A Well-Defined Isocyano Analogue of HCo(CO)4. 1: Synthesis, Decomposition, and Catalytic 1,1-Hydrogenation of Isocyanides","Organometallics","2016","35","14","2309","","10.1021/acs.organomet.6b00297","","","0.71073","MoKα","","0.1698","0.0716","","","0.1253","0.1579","","","","","","0.978","","","","has coordinates,has disorder","237758","2020-10-21","18:00:00",""
"4088676","19.424","0.002","14.2969","0.0012","26.503","0.002","90","","106.846","0.004","90","","7044.1","1.1","100","2","100.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","(HCNArMes2)Co(CNArMes2)2(CO)2","","","- C82 H88 Co N3 O2 -","- C82 H88 Co N3 O2 -","- C328 H352 Co4 N12 O8 -","4","1","","Carpenter, Alex E.; Rheingold, Arnold L.; Figueroa, Joshua S.","A Well-Defined Isocyano Analogue of HCo(CO)4. 1: Synthesis, Decomposition, and Catalytic 1,1-Hydrogenation of Isocyanides","Organometallics","2016","35","14","2309","","10.1021/acs.organomet.6b00297","","","0.71073","MoKα","","0.1591","0.0646","","","0.1205","0.1525","","","","","","0.986","","","","has coordinates,has disorder","237758","2020-10-21","18:00:00",""
"4088677","26.2209","0.0013","18.8401","0.0009","14.1228","0.0007","90","","90","","90","","6976.7","0.6","100","","100","","","","","","","","","5","P n m a","-P 2ac 2n","62","Co(Mes2NCC(H)NArMes2)(CO)3(CNArMes2)","","","- C83.28 H88.37 Co N3 O3 -","- C83.2796 H88.3728 Co N3 O3 -","- C333.118 H353.491 Co4 N12 O12 -","4","0.5","","Carpenter, Alex E.; Rheingold, Arnold L.; Figueroa, Joshua S.","A Well-Defined Isocyano Analogue of HCo(CO)4. 1: Synthesis, Decomposition, and Catalytic 1,1-Hydrogenation of Isocyanides","Organometallics","2016","35","14","2309","","10.1021/acs.organomet.6b00297","","","0.71073","MoKα","","0.0484","0.0392","","","0.1049","0.1103","","","","","","1.028","","","","has coordinates,has disorder","237758","2020-10-21","18:00:00",""
"4088678","14.8635","0.0014","12.9587","0.0011","23.5511","0.0018","90","","90","","90","","4536.2","0.7","100","","100","","","","","","","","","7","P c a 21","P 2c -2ac","29","[Co(HCHNArMes2)(CNArMes2)]OTf","","","- C51 H52 Co F3 N2 O3 S -","- C51 H52 Co F3 N2 O3 S -","- C204 H208 Co4 F12 N8 O12 S4 -","4","1","","Carpenter, Alex E.; Rheingold, Arnold L.; Figueroa, Joshua S.","A Well-Defined Isocyano Analogue of HCo(CO)4. 1: Synthesis, Decomposition, and Catalytic 1,1-Hydrogenation of Isocyanides","Organometallics","2016","35","14","2309","","10.1021/acs.organomet.6b00297","","","0.71073","MoKα","","0.1354","0.0719","","","0.1538","0.1838","","","","","","1.013","","","","has coordinates,has disorder","237758","2020-10-21","18:00:00",""
"4088679","17.1993","0.0003","28.0554","0.0005","18.4489","0.0003","90","","90","","90","","8902.2","0.3","150","","150","","","","","","","","SYN","3","C 2 2 21","C 2c 2","20","","","","- C28 H36 Hf -","- C28 H36 Hf -","- C448 H576 Hf16 -","16","2","","Chadwick, F. Mark; Cooper, Robert T.; O’Hare, Dermot","Zirconium and Hafnium Permethylpentalene Compounds","Organometallics","2016","35","12","2092","","10.1021/acs.organomet.6b00301","","","0.71073","MoKα","","0.0879","0.0669","","0.2363","0.1889","0.2361","","","","","","0.9683","","","","has coordinates","237762","2020-10-21","18:00:00",""
"4088680","16.522","0.0003","16.5205","0.0003","18.4637","0.0004","90.0147","0.0008","89.9752","0.0008","117.307","0.0009","4478.08","0.15","150","","150","","","","100","","","","SYN","3","P -1","-P 1","2","","","","- C28 H36 Zr -","- C28 H36 Zr -","- C224 H288 Zr8 -","8","4","","Chadwick, F. Mark; Cooper, Robert T.; O’Hare, Dermot","Zirconium and Hafnium Permethylpentalene Compounds","Organometallics","2016","35","12","2092","","10.1021/acs.organomet.6b00301","","","0.71073","MoKα","","0.1816","0.1315","","0.1557","0.1479","0.1556","","","","","","1.0521","","","","has coordinates","237762","2020-10-21","18:00:00",""
"4088681","7.4644","0.0003","8.8177","0.0004","13.872","0.0006","96.197","0.002","98.933","0.002","106.408","0.003","854.06","0.07","150","","150","","","","101","","","","SYN","3","P -1","-P 1","2","","","","- C20 H28 Hf -","- C20 H28 Hf -","- C40 H56 Hf2 -","2","1","","Chadwick, F. Mark; Cooper, Robert T.; O’Hare, Dermot","Zirconium and Hafnium Permethylpentalene Compounds","Organometallics","2016","35","12","2092","","10.1021/acs.organomet.6b00301","","","0.71073","MoKα","","0.0388","0.0351","","0.0905","0.0837","0.0905","","","","","","0.9295","","","","has coordinates","237762","2020-10-21","18:00:00",""
"4088682","7.5632","0.0002","8.7831","0.0003","14.0811","0.0005","95.1349","0.0012","99.086","0.0014","108.575","0.0015","865.71","0.05","150","","150","","","","","","","","SYN","3","P -1","-P 1","2","","","","- C20 H28 Zr -","- C20 H28 Zr -","- C40 H56 Zr2 -","2","1","","Chadwick, F. Mark; Cooper, Robert T.; O’Hare, Dermot","Zirconium and Hafnium Permethylpentalene Compounds","Organometallics","2016","35","12","2092","","10.1021/acs.organomet.6b00301","","","0.71073","MoKα","","0.0494","0.0399","","0.1105","0.0974","0.1105","","","","","","0.8835","","","","has coordinates","237762","2020-10-21","18:00:00",""
"4088683","11.3802","0.0001","19.2215","0.0002","13.2547","0.0002","90","","103.283","0.0007","90","","2821.83","0.06","150","","150","","","","","","","","SYN","3","P 1 21 1","P 2yb","4","","","","- C15.5 H22 Zr -","- C15.5 H22 Zr -","- C124 H176 Zr8 -","8","4","","Chadwick, F. Mark; Cooper, Robert T.; O’Hare, Dermot","Zirconium and Hafnium Permethylpentalene Compounds","Organometallics","2016","35","12","2092","","10.1021/acs.organomet.6b00301","","","0.71073","MoKα","","0.0532","0.0422","","0.102","0.0907","0.102","","","","","","0.8703","","","","has coordinates","237762","2020-10-21","18:00:00",""
"4088684","9.9544","0.0002","9.9584","0.0002","17.9494","0.0005","74.4529","0.0009","80.4795","0.0008","64.7984","0.0009","1548.36","0.06","150","","150","","","","","","","","SYN","5","P -1","-P 1","2","","","","- C36 H41 Li O2 Zr -","- C36 H41 Li O2 Zr -","- C72 H82 Li2 O4 Zr2 -","2","1","","Chadwick, F. Mark; Cooper, Robert T.; O’Hare, Dermot","Zirconium and Hafnium Permethylpentalene Compounds","Organometallics","2016","35","12","2092","","10.1021/acs.organomet.6b00301","","","0.71073","MoKα","","0.0453","0.0387","","0.0907","0.0871","0.0907","","","","","","0.9006","","","","has coordinates","237762","2020-10-21","18:00:00",""
"4088685","10.009","0.0001","21.7049","0.0002","22.2006","0.0002","90","","94.0623","0.0008","90","","4810.84","0.08","150","","150","","","","","","","","SYN","5","C 1 c 1","C -2yc","9","","","","- C51 H69 Hf Li O8 -","- C51 H69 Hf Li O8 -","- C204 H276 Hf4 Li4 O32 -","4","1","","Chadwick, F. Mark; Cooper, Robert T.; O’Hare, Dermot","Zirconium and Hafnium Permethylpentalene Compounds","Organometallics","2016","35","12","2092","","10.1021/acs.organomet.6b00301","","","1.5418","CuKα","","0.0265","0.0259","","0.0677","0.0673","0.0677","","","","","","0.9593","","","","has coordinates,has disorder","237762","2020-10-21","18:00:00",""
"4088686","10.2282","0.0002","16.256","0.0004","13.7689","0.0004","90","","100.696","0.0009","90","","2249.57","0.1","150","","150","","","","","","","","SYN","3","P 1 21/n 1","-P 2yn","14","","","","- C28 H32 Zr -","- C28 H32 Zr -","- C112 H128 Zr4 -","4","1","","Chadwick, F. Mark; Cooper, Robert T.; O’Hare, Dermot","Zirconium and Hafnium Permethylpentalene Compounds","Organometallics","2016","35","12","2092","","10.1021/acs.organomet.6b00301","","","0.71073","MoKα","","0.0542","0.038","","0.11","0.0913","0.11","","","","","","0.93","","","","has coordinates","237762","2020-10-21","18:00:00",""
"4088687","28.6819","0.0019","9.0185","0.0006","21.1144","0.0014","90","","90","","90","","5461.6","0.6","100","0.5","100","0.5","","","","","","","","6","P n a 21","P 2c -2n","33","jonlm07","(dippe)Pd(Me)(CNBEt3)","","- C22 H50 B N P2 Pd -","- C22 H50 B N P2 Pd -","- C176 H400 B8 N8 P16 Pd8 -","8","2","","Munjanja, Lloyd; Torres-López, Coralys; Brennessel, William W.; Jones, William D.","C‒CN Bond Cleavage Using Palladium Supported by a Dippe Ligand","Organometallics","2016","35","11","2010","","10.1021/acs.organomet.6b00304","","","0.71073","MoKα","","0.1627","0.1195","","","0.237","0.2601","","","","","","1.085","","","","has coordinates","237767","2020-10-21","18:00:00",""
"4088688","22.13","0.003","18.638","0.002","16.427","0.002","90","","94.965","0.003","90","","6750","1.4","100","0.5","100","0.5","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","jonlm37","(dippe)Pd(h2-MeCNBPh3)","","- C34 H50 B N P2 Pd -","- C34 H50 B N P2 Pd -","- C272 H400 B8 N8 P16 Pd8 -","8","2","","Munjanja, Lloyd; Torres-López, Coralys; Brennessel, William W.; Jones, William D.","C‒CN Bond Cleavage Using Palladium Supported by a Dippe Ligand","Organometallics","2016","35","11","2010","","10.1021/acs.organomet.6b00304","","","0.71073","MoKα","","0.0916","0.0663","","","0.125","0.1352","","","","","","1.073","","","","has coordinates,has disorder","237767","2020-10-21","18:00:00",""
"4088689","16.9464","0.0015","13.0266","0.0011","30.638","0.003","90","","90","","90","","6763.5","1.1","100","0.5","100","0.5","","","","","","","","6","P n a 21","P 2c -2n","33","jonlm38","(dippe)Pd(Me)(CNBPh3)","","- C34 H50 B N P2 Pd -","- C34 H50 B N P2 Pd -","- C272 H400 B8 N8 P16 Pd8 -","8","2","","Munjanja, Lloyd; Torres-López, Coralys; Brennessel, William W.; Jones, William D.","C‒CN Bond Cleavage Using Palladium Supported by a Dippe Ligand","Organometallics","2016","35","11","2010","","10.1021/acs.organomet.6b00304","","","0.71073","MoKα","","0.0848","0.0523","","","0.094","0.1055","","","","","","1.055","","","","has coordinates","237767","2020-10-21","18:00:00",""
"4088690","15.9698","0.0013","17.7847","0.0015","21.9529","0.0019","90","","90","","90","","6235","0.9","100","0.5","100","0.5","","","","","","","","6","P b c a","-P 2ac 2ab","61","jonlm36","(dippe)Pd(Ph)(CNBEt3)","","- C27 H52 B N P2 Pd -","- C27 H52 B N P2 Pd -","- C216 H416 B8 N8 P16 Pd8 -","8","1","","Munjanja, Lloyd; Torres-López, Coralys; Brennessel, William W.; Jones, William D.","C‒CN Bond Cleavage Using Palladium Supported by a Dippe Ligand","Organometallics","2016","35","11","2010","","10.1021/acs.organomet.6b00304","","","0.71073","MoKα","","0.0716","0.041","","","0.0854","0.0999","","","","","","1.042","","","","has coordinates","237767","2020-10-21","18:00:00",""
"4088691","10.509","0.0006","12.2859","0.0006","13.7859","0.0007","78.988","0.002","78.948","0.003","69.197","0.002","1618.31","0.15","110","","110","","","","","","","","","5","P -1","-P 1","2","","","","- C39 H46 Au O P -","- C39 H46 Au O P -","- C78 H92 Au2 O2 P2 -","2","1","","Brooner, Rachel E. M.; Brown, Timothy J.; Chee, Mark A.; Widenhoefer, Ross A.","Effect of Substitution, Ring Size, and Counterion on the Intermediates Generated in the Gold-Catalyzed Intramolecular Hydroalkoxylation of Allenes","Organometallics","2016","35","11","2014","","10.1021/acs.organomet.6b00306","","","0.71073","MoKα","","0.0417","0.0332","","","0.0644","0.0665","","","","","","1.059","","","","has coordinates,has disorder","237769","2020-10-21","18:00:00",""
"4088692","6.4166","0.0005","10.3935","0.0008","9.5956","0.0007","90","","100.278","0.001","90","","629.67","0.08","90","","90","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C4 H24 B9 N -","- C4 H24 B9 N -","- C8 H48 B18 N2 -","2","1","","Tanaka, Naoki; Shoji, Yoshiaki; Fukushima, Takanori","Convenient Route to Monocarba-closo-dodecaborate Anions","Organometallics","2016","35","11","2022","","10.1021/acs.organomet.6b00309","","","0.71073","MoKα","","0.0306","0.0301","","","0.085","0.0857","","","","","","1.084","","","","has coordinates","237770","2020-10-21","18:00:00",""
"4088693","18.2136","0.0014","18.2136","0.0014","11.7714","0.0014","90","","90","","90","","3905","0.6","143","","143","","","","","","","","","4","I 41/a :2","-I 4ad","88","","","","- C10 H13 N O -","- C10 H13 N O -","- C160 H208 N16 O16 -","16","1","","Shimbayashi, Takuya; Okamoto, Kazuhiro; Ohe, Kouichi","C‒H Activation Induced by Oxidative Addition of N‒O Bonds in Oxime Esters: Formation of Rhodacycles and Cycloaddition with Alkynes","Organometallics","2016","35","11","2026","","10.1021/acs.organomet.6b00311","","","0.71075","MoKα","","0.0621","0.0509","","","0.1314","0.1392","","","","","","1.094","","","","has coordinates","237772","2020-10-21","18:00:00",""
"4088694","34.409","0.01","12.515","0.003","24.078","0.007","90","","104.869","0.004","90","","10021","5","143","","143","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C55 H60 Cl3 N O2 P2 Rh -","- C55 H60 Cl3 N O2 P2 Rh -","- C440 H480 Cl24 N8 O16 P16 Rh8 -","8","1","","Shimbayashi, Takuya; Okamoto, Kazuhiro; Ohe, Kouichi","C‒H Activation Induced by Oxidative Addition of N‒O Bonds in Oxime Esters: Formation of Rhodacycles and Cycloaddition with Alkynes","Organometallics","2016","35","11","2026","","10.1021/acs.organomet.6b00311","","","0.71075","MoKα","","0.0731","0.0619","","","0.1355","0.1418","","","","","","1.105","","","","has coordinates","237772","2020-10-21","18:00:00",""
"4088695","13.788","0.006","14.476","0.006","18.584","0.007","106.5","0.004","94.464","0.003","109.53","0.006","3290","2","143","","143","","","","","","","","","6","P -1","-P 1","2","","","","- C79 H75 Cl2 N P2 Rh -","- C79 H75 Cl2 N P2 Rh -","- C158 H150 Cl4 N2 P4 Rh2 -","2","1","","Shimbayashi, Takuya; Okamoto, Kazuhiro; Ohe, Kouichi","C‒H Activation Induced by Oxidative Addition of N‒O Bonds in Oxime Esters: Formation of Rhodacycles and Cycloaddition with Alkynes","Organometallics","2016","35","11","2026","","10.1021/acs.organomet.6b00311","","","0.7107","MoKα","","0.1062","0.0653","","","0.1298","0.1528","","","","","","1.065","","","","has coordinates","237772","2020-10-21","18:00:00",""
"4088696","26.6329","0.001","16.7211","0.0016","11.7832","0.0004","90","","101.743","0.008","90","","5137.6","0.6","143","","143","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C56 H54 Cl4 N2 P2 Rh2 -","- C56 H54 Cl4 N2 P2 Rh2 -","- C224 H216 Cl16 N8 P8 Rh8 -","4","0.5","","Shimbayashi, Takuya; Okamoto, Kazuhiro; Ohe, Kouichi","C‒H Activation Induced by Oxidative Addition of N‒O Bonds in Oxime Esters: Formation of Rhodacycles and Cycloaddition with Alkynes","Organometallics","2016","35","11","2026","","10.1021/acs.organomet.6b00311","","","0.71075","MoKα","","0.0603","0.0514","","","0.1356","0.144","","","","","","1.063","","","","has coordinates","237772","2020-10-21","18:00:00",""
"4088697","11.8088","0.0001","14.5983","0.0002","15.4772","0.0002","90","","93.6884","0.0007","90","","2662.56","0.06","293","2","293","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C22 H26 Cl F3 N4 O5 Ru S -","- C22 H26 Cl F3 N4 O5 Ru S -","- C88 H104 Cl4 F12 N16 O20 Ru4 S4 -","4","1","","Sabater, Sara; Müller-Bunz, Helge; Albrecht, Martin","Carboxylate-Functionalized Mesoionic Carbene Precursors: Decarboxylation, Ruthenium Bonding, and Catalytic Activity in Hydrogen Transfer Reactions","Organometallics","2016","35","13","2256","","10.1021/acs.organomet.6b00322","","","0.71073","MoKα","","0.0365","0.0329","","","0.0964","0.1002","","","","","","1.047","","","","has coordinates","237774","2020-10-21","18:00:00",""
"4088698","13.4316","0.0002","20.1958","0.0002","18.157","0.0002","90","","101.53","0.0011","90","","4825.91","0.1","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C39 H50 Cl10 N8 Ru2 -","- C39 H50 Cl10 N8 Ru2 -","- C156 H200 Cl40 N32 Ru8 -","4","1","","Sabater, Sara; Müller-Bunz, Helge; Albrecht, Martin","Carboxylate-Functionalized Mesoionic Carbene Precursors: Decarboxylation, Ruthenium Bonding, and Catalytic Activity in Hydrogen Transfer Reactions","Organometallics","2016","35","13","2256","","10.1021/acs.organomet.6b00322","","","1.54184","CuKα","","0.0634","0.0555","","","0.1444","0.1505","","","","","","1.09","","","","has coordinates,has disorder","237774","2020-10-21","18:00:00",""
"4088699","8.4709","0.0004","11.7388","0.0005","15.6404","0.0007","103.61","0.004","100.537","0.004","110.861","0.004","1350.23","0.12","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C24 H53 Ir P2 -","- C24 H49 Ir P2 -","- C48 H98 Ir2 P4 -","2","1","","Polukeev, Alexey V.; Marcos, Rocío; Ahlquist, Mårten S. G.; Wendt, Ola F.","Iridium Hydride Complexes with Cyclohexyl-Based Pincer Ligands: Fluxionality and Deuterium Exchange","Organometallics","2016","35","16","2600","","10.1021/acs.organomet.6b00324","","","0.71073","MoKα","","0.0353","0.0315","","","0.0706","0.0721","","","","","","0.961","","","","has coordinates","237776","2020-10-21","18:00:00",""
"4088700","9.0793","0.0006","11.851","0.0005","32.869","0.002","90","","90","","90","","3536.7","0.4","123","2","123","2","","","","","","","synthesis","7","P 21 21 21","P 2ac 2ab","19","","","","- C37 H47 F3 O3 P Rh S -","- C37 H47 F3 O3 P Rh S -","- C148 H188 F12 O12 P4 Rh4 S4 -","4","1","","Martínez de Salinas, Sara; Díez, Josefina; Falvello, Larry R.; González, Javier; Gamasa, M. Pilar; Lastra, Elena","Intramolecular C‒C Coupling Reactions of Alkynyl, Vinylidene, and Alkenylphosphane Ligands in Rhodium(III) Complexes","Organometallics","2016","35","17","2793","","10.1021/acs.organomet.6b00330","","","1.5418","CuKα","","0.0335","0.0304","","","0.0761","0.0777","","","","","","1.041","","","","has coordinates","237778","2020-10-21","18:00:00",""
"4088701","21.4176","0.0002","33.1623","0.0004","9.16578","0.00011","90","","90","","90","","6510.06","0.13","150","2","150","2","","","","","","","","6","P n 21 a","P -2ac -2n","33","","","","- C35 H45 B F4 P Rh -","- C35 H45 B F4 P Rh -","- C280 H360 B8 F32 P8 Rh8 -","8","2","","Martínez de Salinas, Sara; Díez, Josefina; Falvello, Larry R.; González, Javier; Gamasa, M. Pilar; Lastra, Elena","Intramolecular C‒C Coupling Reactions of Alkynyl, Vinylidene, and Alkenylphosphane Ligands in Rhodium(III) Complexes","Organometallics","2016","35","17","2793","","10.1021/acs.organomet.6b00330","","","1.54184","CuKα","","0.0535","0.0482","","","0.1301","0.1371","","","","","","1.023","","","","has coordinates,has disorder","237778","2020-10-21","18:00:00",""
"4088702","12.0262","0.0009","14.3646","0.0011","18.9076","0.0013","90","","100.514","0.002","90","","3211.5","0.4","123","2","123","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C36 H47 N P2 -","- C36 H47 N P2 -","- C144 H188 N4 P8 -","4","1","","Vilanova, Sean P.; Iluc, Vlad M.","Aryl and Benzyl C‒H Activation of N-Substituted PNP Ligands","Organometallics","2016","35","12","2110","","10.1021/acs.organomet.6b00333","","","0.71073","MoKα","","0.0803","0.0505","","","0.094","0.109","","","","","","1.08","","","","has coordinates","237780","2020-10-21","18:00:00",""
"4088703","16.853","0.0014","14.0257","0.0012","18.4615","0.0018","90","","136.967","0.005","90","","2978","0.5","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C33 H47 N P2 -","- C33 H47 N P2 -","- C132 H188 N4 P8 -","4","1","","Vilanova, Sean P.; Iluc, Vlad M.","Aryl and Benzyl C‒H Activation of N-Substituted PNP Ligands","Organometallics","2016","35","12","2110","","10.1021/acs.organomet.6b00333","","","0.71073","MoKα","","0.0974","0.048","","","0.0919","0.1032","","","","","","1.01","","","","has coordinates","237780","2020-10-21","18:00:00",""
"4088704","11.2348","0.0009","13.043","0.001","15.9073","0.0012","91.398","0.001","97.941","0.001","103.314","0.001","2242.8","0.3","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","","","- C49 H71 Cl Ir N P2 -","- C49 H71 Cl Ir N P2 -","- C98 H142 Cl2 Ir2 N2 P4 -","2","1","","Vilanova, Sean P.; Iluc, Vlad M.","Aryl and Benzyl C‒H Activation of N-Substituted PNP Ligands","Organometallics","2016","35","12","2110","","10.1021/acs.organomet.6b00333","","","0.71073","MoKα","","0.0342","0.0287","","","0.0625","0.0653","","","","","","1.064","","","","has coordinates,has disorder","237780","2020-10-21","18:00:00",""
"4088705","21.09","0.002","11.2859","0.0011","32.361","0.003","90","","99.716","0.002","90","","7592.1","1.3","120","2","120","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C43 H54.5 Cl Ir N P2 -","- C43 H54.5 Cl Ir N P2 -","- C344 H436 Cl8 Ir8 N8 P16 -","8","2","","Vilanova, Sean P.; Iluc, Vlad M.","Aryl and Benzyl C‒H Activation of N-Substituted PNP Ligands","Organometallics","2016","35","12","2110","","10.1021/acs.organomet.6b00333","","","0.71073","MoKα","","0.0434","0.0295","","","0.0636","0.0688","","","","","","1.037","","","","has coordinates","251896","2020-10-21","18:00:00",""
"4088706","10.944","0.0012","11.9479","0.0013","15.3618","0.0017","103.302","0.0019","107.999","0.0018","102.224","0.0019","1770.2","0.3","120","2","120","2","","","","","","","","7","P -1","-P 1","2","","","","- C37 H55 Cl Ir N O P2 -","- C37 H55 Cl Ir N O P2 -","- C74 H110 Cl2 Ir2 N2 O2 P4 -","2","1","","Vilanova, Sean P.; Iluc, Vlad M.","Aryl and Benzyl C‒H Activation of N-Substituted PNP Ligands","Organometallics","2016","35","12","2110","","10.1021/acs.organomet.6b00333","","","0.71073","MoKα","","0.0436","0.0306","","","0.0504","0.053","","","","","","0.994","","","","has coordinates","237780","2020-10-21","18:00:00",""
"4088707","10.1952","0.0017","11.4033","0.0019","16.521","0.003","102.99","0.004","100.621","0.004","92.946","0.004","1830.8","0.5","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","","","- C40 H55 Cl Ir N P2 -","- C40 H55 Cl Ir N P2 -","- C80 H110 Cl2 Ir2 N2 P4 -","2","1","","Vilanova, Sean P.; Iluc, Vlad M.","Aryl and Benzyl C‒H Activation of N-Substituted PNP Ligands","Organometallics","2016","35","12","2110","","10.1021/acs.organomet.6b00333","","","0.71073","MoKα","","0.0371","0.0305","","","0.0608","0.0645","","","","","","1.075","","","","has coordinates","237780","2020-10-21","18:00:00",""
"4088708","16.455","0.002","28.172","0.003","28.44","0.003","90","","90","","90","","13184","3","120","2","120","2","","","","","","","","5","A e a 2","A 2 -2ab","41","","","","- C36 H47.5 Ir N P2 -","- C36 H47.5 Ir N P2 -","- C576 H760 Ir16 N16 P32 -","16","2","","Vilanova, Sean P.; Iluc, Vlad M.","Aryl and Benzyl C‒H Activation of N-Substituted PNP Ligands","Organometallics","2016","35","12","2110","","10.1021/acs.organomet.6b00333","","","0.71073","MoKα","","0.0317","0.0263","","","0.0454","0.0471","","","","","","1.029","","","","has coordinates","251896","2020-10-21","18:00:00",""
"4088709","11.6048","0.0013","10.3272","0.0011","28.571","0.003","90","","100.492","0.0019","90","","3366.8","0.6","120","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C33 H48 Ir N P2 -","- C33 H48 Ir N P2 -","- C132 H192 Ir4 N4 P8 -","4","1","","Vilanova, Sean P.; Iluc, Vlad M.","Aryl and Benzyl C‒H Activation of N-Substituted PNP Ligands","Organometallics","2016","35","12","2110","","10.1021/acs.organomet.6b00333","","","0.71073","MoKα","","0.0516","0.0368","","","0.0938","0.0985","","","","","","1.059","","","","has coordinates","237780","2020-10-21","18:00:00",""
"4088710","9.9207","0.0008","18.8543","0.0015","16.644","0.0014","90","","94.9652","0.0017","90","","3101.5","0.4","120","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C33 H48 Ir N P2 -","- C33 H48 Ir N P2 -","- C132 H192 Ir4 N4 P8 -","4","1","","Vilanova, Sean P.; Iluc, Vlad M.","Aryl and Benzyl C‒H Activation of N-Substituted PNP Ligands","Organometallics","2016","35","12","2110","","10.1021/acs.organomet.6b00333","","","0.71073","MoKα","","0.031","0.0224","","","0.0453","0.047","","","","","","1.033","","","","has coordinates","237780","2020-10-21","18:00:00",""
"4088711","10.4541","0.0003","11.9272","0.0004","17.069","0.0005","101.618","0.001","99.593","0.001","103.613","0.001","1974.26","0.11","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C41 H60 Ir N P2 -","- C41 H60 Ir N P2 -","- C82 H120 Ir2 N2 P4 -","2","1","","Vilanova, Sean P.; Iluc, Vlad M.","Aryl and Benzyl C‒H Activation of N-Substituted PNP Ligands","Organometallics","2016","35","12","2110","","10.1021/acs.organomet.6b00333","","","0.71073","MoKα","","0.0363","0.0293","","","0.0681","0.07","","","","","","1.079","","","","has coordinates","237780","2020-10-21","18:00:00",""
"4088712","13.2891","0.0017","14.6174","0.0018","19.173","0.002","103.635","0.004","96.295","0.005","104.069","0.005","3455.4","0.7","120","2","120","2","","","","","","","","8","P -1","-P 1","2","","","","- C69 H69 B F24 Ir N O P2 -","- C69 H69 B F24 Ir N O P2 -","- C138 H138 B2 F48 Ir2 N2 O2 P4 -","2","1","","Vilanova, Sean P.; Iluc, Vlad M.","Aryl and Benzyl C‒H Activation of N-Substituted PNP Ligands","Organometallics","2016","35","12","2110","","10.1021/acs.organomet.6b00333","","","0.71073","MoKα","","0.0565","0.0442","","","0.1082","0.1141","","","","","","1.054","","","","has coordinates,has disorder","237780","2020-10-21","18:00:00",""
"4088713","11.0667","0.0014","7.8272","0.001","17.821","0.002","90","","100.684","0.002","90","","1516.9","0.3","120","2","120","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C33 H47 Ir N P2 -","- C33 H47 Ir N P2 -","- C66 H94 Ir2 N2 P4 -","2","1","","Vilanova, Sean P.; Iluc, Vlad M.","Aryl and Benzyl C‒H Activation of N-Substituted PNP Ligands","Organometallics","2016","35","12","2110","","10.1021/acs.organomet.6b00333","","","0.71073","MoKα","","0.0524","0.0395","","","0.0678","0.072","","","","","","1.055","","","","has coordinates","237780","2020-10-21","18:00:00",""
"4088714","8.3236","0.0006","9.9365","0.0007","20.4872","0.0015","90.814","0.004","97.759","0.004","109.517","0.003","1579.3","0.2","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C33 H50 Ir N P2 -","- C33 H50 Ir N P2 -","- C66 H100 Ir2 N2 P4 -","2","1","","Vilanova, Sean P.; Iluc, Vlad M.","Aryl and Benzyl C‒H Activation of N-Substituted PNP Ligands","Organometallics","2016","35","12","2110","","10.1021/acs.organomet.6b00333","","","0.71073","MoKα","","0.0321","0.0255","","","0.0508","0.0522","","","","","","1.024","","","","has coordinates","237780","2020-10-21","18:00:00",""
"4088715","17.302","0.003","11.7107","0.0018","25.039","0.004","90","","90","","90","","5073.4","1.4","160","","160","","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C24 H25 Cl F6 N3 P Ru -","- C24 H25 Cl F6 N3 P Ru -","- C192 H200 Cl8 F48 N24 P8 Ru8 -","8","1","","Gupta, Suraj K.; Sahoo, Sandeep K.; Choudhury, Joyanta","Dramatic Effect of Ancillary NHC Ligand in the Highly Selective Catalytic Oxidative Carbon‒Carbon Multiple Bond Cleavage","Organometallics","2016","35","15","2462","","10.1021/acs.organomet.6b00337","","","0.71073","MoKα","","0.0285","0.024","","","0.0653","0.0687","","","","","","1.059","","","","has coordinates","237782","2020-10-21","18:00:00",""
"4088716","17.3769","0.0006","11.7733","0.0004","24.4785","0.0008","90","","90","","90","","5007.9","0.3","160","","160","","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C23 H24 Cl F6 N4 P Ru -","- C23 H24 Cl F6 N4 P Ru -","- C184 H192 Cl8 F48 N32 P8 Ru8 -","8","1","","Gupta, Suraj K.; Sahoo, Sandeep K.; Choudhury, Joyanta","Dramatic Effect of Ancillary NHC Ligand in the Highly Selective Catalytic Oxidative Carbon‒Carbon Multiple Bond Cleavage","Organometallics","2016","35","15","2462","","10.1021/acs.organomet.6b00337","","","0.71073","MoKα","","0.033","0.0249","","","0.0629","0.0679","","","","","","1.035","","","","has coordinates","237782","2020-10-21","18:00:00",""
"4088717","47.2","0.004","11.244","0.0009","17.3628","0.0014","90","","94.509","0.004","90","","9186.2","1.3","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C52 H60 Ge Zn -","- C52 H60 Ge Zn -","- C416 H480 Ge8 Zn8 -","8","1","","Erickson, Jeremy D.; Riparetti, Ryan D.; Fettinger, James C.; Power, Philip P.","Molecular Zinc Species with Ge‒Zn and Sn‒Zn Bonds: A Reversible Insertion of a Stannylene into a Zinc‒Carbon Bond","Organometallics","2016","35","12","2124","","10.1021/acs.organomet.6b00344","","","1.54178","CuKα","","0.1024","0.0924","","","0.2448","0.2544","","","","","","1.049","","","","has coordinates,has disorder","237784","2020-10-21","18:00:00",""
"4088718","14.814","0.008","28.203","0.014","10.351","0.005","90","","90","","90","","4325","4","90","2","90","2","","","","","","","","3","F d d 2","F 2 -2d","43","","","","- C25 H28 Zn -","- C25 H28 Zn -","- C200 H224 Zn8 -","8","0.5","","Erickson, Jeremy D.; Riparetti, Ryan D.; Fettinger, James C.; Power, Philip P.","Molecular Zinc Species with Ge‒Zn and Sn‒Zn Bonds: A Reversible Insertion of a Stannylene into a Zinc‒Carbon Bond","Organometallics","2016","35","12","2124","","10.1021/acs.organomet.6b00344","","","0.71073","MoKα","","0.0458","0.0357","","","0.0789","0.0857","","","","","","1.179","","","","has coordinates,has disorder","237784","2020-10-21","18:00:00",""
"4088719","15.522","0.002","13.8988","0.0018","22.501","0.003","90","","102.153","0.0017","90","","4745.5","1.1","90","2","90","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C55 H68 Sn Zn -","- C55 H68 Sn Zn -","- C220 H272 Sn4 Zn4 -","4","1","","Erickson, Jeremy D.; Riparetti, Ryan D.; Fettinger, James C.; Power, Philip P.","Molecular Zinc Species with Ge‒Zn and Sn‒Zn Bonds: A Reversible Insertion of a Stannylene into a Zinc‒Carbon Bond","Organometallics","2016","35","12","2124","","10.1021/acs.organomet.6b00344","","","0.71073","MoKα","","0.0659","0.0464","","","0.1129","0.1302","","","","","","1.09","","","","has coordinates,has disorder","237784","2020-10-21","18:00:00",""
"4088720","15.8721","0.0011","10.4975","0.0007","13.7225","0.0009","90","","107.02","0.001","90","","2186.3","0.3","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H19 O5 P W -","- C24 H19 O5 P W -","- C96 H76 O20 P4 W4 -","4","1","","Jayaraman, Arumugam; Sterenberg, Brian T.","Phosphorus‒Carbon Bond Forming Reactions of Diphenylphosphenium and Diphenylphosphine Triflate Complexes of Tungsten","Organometallics","2016","35","14","2367","","10.1021/acs.organomet.6b00348","","","0.71073","MoKα","","0.0144","0.0132","","","0.0329","0.0334","","","","","","1.061","","","","has coordinates","237786","2020-10-21","18:00:00",""
"4088721","10.8459","0.0006","11.9834","0.0006","20.515","0.0011","90","","98.806","0.001","90","","2634.9","0.2","193","2","193","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C31 H19 O5 P W -","- C31 H19 O5 P W -","- C124 H76 O20 P4 W4 -","4","1","","Jayaraman, Arumugam; Sterenberg, Brian T.","Phosphorus‒Carbon Bond Forming Reactions of Diphenylphosphenium and Diphenylphosphine Triflate Complexes of Tungsten","Organometallics","2016","35","14","2367","","10.1021/acs.organomet.6b00348","","","0.71073","MoKα","","0.0315","0.0238","","","0.0526","0.0553","","","","","","1.043","","","","has coordinates","237786","2020-10-21","18:00:00",""
"4088722","7.3927","0.0015","13.293","0.003","18.042","0.004","90","","90.62","0.03","90","","1772.9","0.7","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H20 Fe2 O2 S -","- C19 H20 Fe2 O2 S -","- C76 H80 Fe8 O8 S4 -","4","1","","Marchetti, Fabio; Zacchini, Stefano; Zanotti, Valerio","Photochemical Alkyne Insertions into the Iron‒Thiocarbonyl Bond of [Fe2(CS)(CO)3(Cp)2]","Organometallics","2016","35","16","2630","","10.1021/acs.organomet.6b00349","","","0.71073","MoKα","","0.0523","0.0436","","","0.1106","0.1174","","","","","","1.074","","","","has coordinates,has disorder","237788","2020-10-21","18:00:00",""
"4088723","12.038","0.002","12.1","0.002","13.471","0.003","90","","105.2","0.03","90","","1893.5","0.7","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H20 Fe2 O3 S -","- C20 H20 Fe2 O3 S -","- C80 H80 Fe8 O12 S4 -","4","1","","Marchetti, Fabio; Zacchini, Stefano; Zanotti, Valerio","Photochemical Alkyne Insertions into the Iron‒Thiocarbonyl Bond of [Fe2(CS)(CO)3(Cp)2]","Organometallics","2016","35","16","2630","","10.1021/acs.organomet.6b00349","","","0.71073","MoKα","","0.0344","0.0288","","","0.0745","0.0785","","","","","","1.028","","","","has coordinates","237788","2020-10-21","18:00:00",""
"4088724","17.733","0.004","14.481","0.003","19.052","0.004","90","","98.39","0.03","90","","4840","1.8","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C21 H23 F3 Fe2 O5 S2 -","- C21 H23 F3 Fe2 O5 S2 -","- C168 H184 F24 Fe16 O40 S16 -","8","2","","Marchetti, Fabio; Zacchini, Stefano; Zanotti, Valerio","Photochemical Alkyne Insertions into the Iron‒Thiocarbonyl Bond of [Fe2(CS)(CO)3(Cp)2]","Organometallics","2016","35","16","2630","","10.1021/acs.organomet.6b00349","","","0.71073","MoKα","","0.1413","0.0876","","","0.2261","0.2659","","","","","","1.044","","","","has coordinates,has disorder","237788","2020-10-21","18:00:00",""
"4088725","19.07","0.0005","14.1602","0.0004","24.3189","0.0007","90","","90.647","0.002","90","","6566.5","0.3","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C66 H100 Al3 N6 -","- C52 H85 Al3 N6 -","- C208 H340 Al12 N24 -","4","1","","Ermert, David M.; Gordon, Jesse B.; Abboud, Khalil A.; Murray, Leslie J.","Synthesis of Trinuclear Tin(II), Germanium(II), and Aluminum(III) Cyclophane Complexes","Organometallics","2016","35","21","3651","","10.1021/acs.organomet.6b00354","","","1.54178","CuKα","","0.084","0.0745","","","0.1889","0.1932","","","","","","1.076","","","","has coordinates,has disorder","237790","2020-10-21","18:00:00",""
"4088726","44.808","0.003","18.1308","0.0013","15.9563","0.0011","90","","100.879","0.0012","90","","12730","1.5","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C66 H84 Cl3 Ge3 N6 -","- C66 H84 Cl3 Ge3 N6 -","- C528 H672 Cl24 Ge24 N48 -","8","1","","Ermert, David M.; Gordon, Jesse B.; Abboud, Khalil A.; Murray, Leslie J.","Synthesis of Trinuclear Tin(II), Germanium(II), and Aluminum(III) Cyclophane Complexes","Organometallics","2016","35","21","3651","","10.1021/acs.organomet.6b00354","","","0.71073","MoKα","","0.0395","0.0304","","","0.0815","0.0853","","","","","","1.042","","","","has coordinates,has disorder","237790","2020-10-21","18:00:00",""
"4088727","16.0779","0.0016","18.9798","0.0019","22.291","0.002","85.9477","0.0017","82.3548","0.0016","76.8208","0.0016","6558.4","1.1","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C61 H95 Cl3 N6 O4 Sn3 -","- C45 H63 Cl3 N6 Sn3 -","- C180 H252 Cl12 N24 Sn12 -","4","2","","Ermert, David M.; Gordon, Jesse B.; Abboud, Khalil A.; Murray, Leslie J.","Synthesis of Trinuclear Tin(II), Germanium(II), and Aluminum(III) Cyclophane Complexes","Organometallics","2016","35","21","3651","","10.1021/acs.organomet.6b00354","","","0.71073","MoKα","","0.0824","0.0477","","","0.1065","0.1159","","","","","","0.877","","","","has coordinates","237790","2020-10-21","18:00:00",""
"4088728","14.2559","0.0006","14.2559","0.0006","23.569","0.001","90","","90","","90","","4789.9","0.4","173","2","173","2","","","","","","","","5","I 41/a :2","-I 4ad","88","BTe","","","- C10 H15 B O2 Te -","- C10 H15 B O2 Te -","- C160 H240 B16 O32 Te16 -","16","1","","Torres Delgado, William; Shahin, Fatemeh; Ferguson, Michael J.; McDonald, Robert; He, Gang; Rivard, Eric","Selective Placement of Bromide and Pinacolboronate Groups about a Tellurophene: New Building Blocks for Optoelectronic Applications","Organometallics","2016","35","12","2140","","10.1021/acs.organomet.6b00362","","","0.71073","MoKα","","0.0195","0.0183","","","0.0455","0.0461","","","","","","1.085","","","","has coordinates,has disorder","237792","2020-10-21","18:00:00",""
"4088729","9.1615","0.0002","9.1615","0.0002","36.3296","0.001","90","","90","","90","","3049.26","0.13","173","2","173","2","","","","","","","","5","P 43 21 2","P 4nw 2abw","96","BTe6H","","","- C14 H21 B O2 Te -","- C14 H21 B O2 Te -","- C112 H168 B8 O16 Te8 -","8","1","","Torres Delgado, William; Shahin, Fatemeh; Ferguson, Michael J.; McDonald, Robert; He, Gang; Rivard, Eric","Selective Placement of Bromide and Pinacolboronate Groups about a Tellurophene: New Building Blocks for Optoelectronic Applications","Organometallics","2016","35","12","2140","","10.1021/acs.organomet.6b00362","","","1.54178","CuKα","","0.0228","0.0226","","","0.0562","0.0563","","","","","","1.068","","","","has coordinates,has disorder","237792","2020-10-21","18:00:00",""
"4088730","10.469","0.0011","13.8325","0.0014","11.9952","0.0012","90","","100.723","0.0011","90","","1706.7","0.3","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","4BSe","","","- C28 H48 B4 O8 Se -","- C28 H48 B4 O8 Se -","- C56 H96 B8 O16 Se2 -","2","1","","Torres Delgado, William; Shahin, Fatemeh; Ferguson, Michael J.; McDonald, Robert; He, Gang; Rivard, Eric","Selective Placement of Bromide and Pinacolboronate Groups about a Tellurophene: New Building Blocks for Optoelectronic Applications","Organometallics","2016","35","12","2140","","10.1021/acs.organomet.6b00362","","","0.71073","MoKα","","0.0283","0.0264","","","0.0659","0.0668","","","","","","1.03","","","","has coordinates","237792","2020-10-21","18:00:00",""
"4088731","10.141","0.0003","10.531","0.0003","18.1578","0.0005","95.94","0.002","103.763","0.001","113.256","0.001","1687.57","0.09","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C38 H42 N2 O4 Ru -","- C38 H42 N2 O4 Ru -","- C76 H84 N4 O8 Ru2 -","2","1","","Yuan, Jian; Fracaroli, Alejandro M.; Klemperer, Walter G.","Convergent Synthesis of a Metal‒Organic Framework Supported Olefin Metathesis Catalyst","Organometallics","2016","35","12","2149","","10.1021/acs.organomet.6b00365","","","1.54178","CuKα","","0.0604","0.0455","","","0.1001","0.1069","","","","","","1.045","","","","has coordinates","237795","2020-10-21","18:00:00",""
"4088732","10.7528","0.0003","10.7528","0.0003","42.2319","0.0016","90","","90","","90","","4883","0.3","200","","200","","","","","","","","","5","P 41 21 2","P 4abw 2nw","92","","","","- C54 H62 Ca N4 O2 -","- C54 H62 Ca N4 O2 -","- C216 H248 Ca4 N16 O8 -","4","0.5","","He, Meng; Gamer, Michael T.; Roesky, Peter W.","Homoleptic Chiral Benzamidinate Complexes of the Heavier Alkaline Earth Metals and the Divalent Lanthanides","Organometallics","2016","35","16","2638","","10.1021/acs.organomet.6b00373","","","0.71073","MoKα","","0.0576","0.0356","","","0.0875","0.0929","","","","","","0.837","","","","has coordinates,has disorder","237797","2020-10-21","18:00:00",""
"4088733","10.8493","0.0002","10.8493","0.0002","42.3753","0.0014","90","","90","","90","","4987.9","0.2","200","","200","","","","","","","","","5","P 41 21 2","P 4abw 2nw","92","","","","- C54 H62 N4 O2 Sr -","- C54 H62 N4 O2 Sr -","- C216 H248 N16 O8 Sr4 -","4","0.5","","He, Meng; Gamer, Michael T.; Roesky, Peter W.","Homoleptic Chiral Benzamidinate Complexes of the Heavier Alkaline Earth Metals and the Divalent Lanthanides","Organometallics","2016","35","16","2638","","10.1021/acs.organomet.6b00373","","","0.71073","MoKα","","0.0647","0.0339","","","0.0681","0.0743","","","","","","0.81","","","","has coordinates,has disorder","237797","2020-10-21","18:00:00",""
"4088734","13.408","0.0003","17.5419","0.0005","36.4878","0.0012","90","","90","","90","","8582","0.4","200","","200","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C92 H92 Ba2 N8 -","- C92 H92 Ba2 N8 -","- C368 H368 Ba8 N32 -","4","1","","He, Meng; Gamer, Michael T.; Roesky, Peter W.","Homoleptic Chiral Benzamidinate Complexes of the Heavier Alkaline Earth Metals and the Divalent Lanthanides","Organometallics","2016","35","16","2638","","10.1021/acs.organomet.6b00373","","","0.71073","MoKα","","0.0315","0.024","","","0.0484","0.0496","","","","","","0.884","","","","has coordinates,has disorder","237797","2020-10-21","18:00:00",""
"4088735","11.6826","0.0002","19.3775","0.0004","21.5662","0.0006","90","","90","","90","","4882.15","0.19","200","","200","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C54 H62 Eu N4 O2 -","- C54 H62 Eu N4 O2 -","- C216 H248 Eu4 N16 O8 -","4","1","","He, Meng; Gamer, Michael T.; Roesky, Peter W.","Homoleptic Chiral Benzamidinate Complexes of the Heavier Alkaline Earth Metals and the Divalent Lanthanides","Organometallics","2016","35","16","2638","","10.1021/acs.organomet.6b00373","","","0.71073","MoKα","","0.0447","0.0277","","","0.0585","0.0624","","","","","","0.923","","","","has coordinates,has disorder","237797","2020-10-21","18:00:00",""
"4088736","11.6521","0.0002","19.2686","0.0003","21.4853","0.0004","90","","90","","90","","4823.87","0.14","200","","200","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C54 H62 N4 O2 Yb -","- C54 H62 N4 O2 Yb -","- C216 H248 N16 O8 Yb4 -","4","1","","He, Meng; Gamer, Michael T.; Roesky, Peter W.","Homoleptic Chiral Benzamidinate Complexes of the Heavier Alkaline Earth Metals and the Divalent Lanthanides","Organometallics","2016","35","16","2638","","10.1021/acs.organomet.6b00373","","","0.71073","MoKα","","0.0219","0.0182","","","0.0396","0.0402","","","","","","0.928","","","","has coordinates,has disorder","237797","2020-10-21","18:00:00",""
"4088737","9.3622","0.0013","14.3857","0.0015","16.751","0.002","90","","90","","90","","2256.1","0.5","100","2","100","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C18.71 H32 Co N5.29 O2 -","- C18.7 H32 Co N5.3 O2 -","- C74.8 H128 Co4 N21.2 O8 -","4","0.5","","Hering, Florian; Berthel, Johannes H. J.; Lubitz, Katharina; Paul, Ursula S. D.; Schneider, Heidi; Härterich, Marcel; Radius, Udo","Synthesis and Thermal Properties of Novel NHC-Stabilized Cobalt Carbonyl Nitrosyl Complexes","Organometallics","2016","35","17","2806","","10.1021/acs.organomet.6b00374","","","0.71073","MoKα","","0.047","0.0326","","","0.0777","0.0848","","","","","","1.028","","","","has coordinates,has disorder","237801","2020-10-21","18:00:00",""
"4088738","20.7723","0.0008","14.1718","0.0006","15.2194","0.0006","90","","102.777","0.002","90","","4369.4","0.3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H32 Co N5 O2 -","- C19 H32 Co N5 O2 -","- C152 H256 Co8 N40 O16 -","8","2","","Hering, Florian; Berthel, Johannes H. J.; Lubitz, Katharina; Paul, Ursula S. D.; Schneider, Heidi; Härterich, Marcel; Radius, Udo","Synthesis and Thermal Properties of Novel NHC-Stabilized Cobalt Carbonyl Nitrosyl Complexes","Organometallics","2016","35","17","2806","","10.1021/acs.organomet.6b00374","","","0.71073","MoKα","","0.0594","0.0455","","","0.1049","0.1133","","","","","","1.061","","","","has coordinates,has disorder","237801","2020-10-21","18:00:00",""
"4088739","13.8677","0.0006","15.4412","0.0007","15.8969","0.0007","90","","110.16","0.002","90","","3195.5","0.2","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C31 H48 Co N5 O2 -","- C31 H48 Co N5 O2 -","- C124 H192 Co4 N20 O8 -","4","1","","Hering, Florian; Berthel, Johannes H. J.; Lubitz, Katharina; Paul, Ursula S. D.; Schneider, Heidi; Härterich, Marcel; Radius, Udo","Synthesis and Thermal Properties of Novel NHC-Stabilized Cobalt Carbonyl Nitrosyl Complexes","Organometallics","2016","35","17","2806","","10.1021/acs.organomet.6b00374","","","0.71073","MoKα","","0.0667","0.0406","","","0.0911","0.102","","","","","","1.012","","","","has coordinates","237801","2020-10-21","18:00:00",""
"4088740","15.318","0.002","10.6428","0.0016","8.5508","0.0013","90","","90","","90","","1394","0.3","100","2","100","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C11 H16 Co N5 O2 -","- C11 H16 Co N5 O2 -","- C44 H64 Co4 N20 O8 -","4","1","","Hering, Florian; Berthel, Johannes H. J.; Lubitz, Katharina; Paul, Ursula S. D.; Schneider, Heidi; Härterich, Marcel; Radius, Udo","Synthesis and Thermal Properties of Novel NHC-Stabilized Cobalt Carbonyl Nitrosyl Complexes","Organometallics","2016","35","17","2806","","10.1021/acs.organomet.6b00374","","","0.71073","MoKα","","0.029","0.0234","","","0.0562","0.0586","","","","","","1.035","","","","has coordinates","237801","2020-10-21","18:00:00",""
"4088741","8.6366","0.0004","13.4788","0.0007","21.6573","0.001","90","","90","","90","","2521.1","0.2","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C23 H40 Co N5 O2 -","- C23 H40 Co N5 O2 -","- C92 H160 Co4 N20 O8 -","4","1","","Hering, Florian; Berthel, Johannes H. J.; Lubitz, Katharina; Paul, Ursula S. D.; Schneider, Heidi; Härterich, Marcel; Radius, Udo","Synthesis and Thermal Properties of Novel NHC-Stabilized Cobalt Carbonyl Nitrosyl Complexes","Organometallics","2016","35","17","2806","","10.1021/acs.organomet.6b00374","","","0.71073","MoKα","","0.0265","0.0245","","","0.0633","0.0643","","","","","","1.05","","","","has coordinates","237801","2020-10-21","18:00:00",""
"4088742","9.2608","0.0004","11.1303","0.0005","17.2042","0.0008","90","","99.803","0.0014","90","","1747.44","0.14","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C15 H24 Co N5 O2 -","- C15 H24 Co N5 O2 -","- C60 H96 Co4 N20 O8 -","4","1","","Hering, Florian; Berthel, Johannes H. J.; Lubitz, Katharina; Paul, Ursula S. D.; Schneider, Heidi; Härterich, Marcel; Radius, Udo","Synthesis and Thermal Properties of Novel NHC-Stabilized Cobalt Carbonyl Nitrosyl Complexes","Organometallics","2016","35","17","2806","","10.1021/acs.organomet.6b00374","","","0.71073","MoKα","","0.0292","0.0273","","","0.0735","0.075","","","","","","1.039","","","","has coordinates","237801","2020-10-21","18:00:00",""
"4088743","10.4885","0.0008","8.2084","0.0006","20.4826","0.0016","90","","98.606","0.003","90","","1743.6","0.2","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H24 Co N5 O2 -","- C15 H24 Co N5 O2 -","- C60 H96 Co4 N20 O8 -","4","1","","Hering, Florian; Berthel, Johannes H. J.; Lubitz, Katharina; Paul, Ursula S. D.; Schneider, Heidi; Härterich, Marcel; Radius, Udo","Synthesis and Thermal Properties of Novel NHC-Stabilized Cobalt Carbonyl Nitrosyl Complexes","Organometallics","2016","35","17","2806","","10.1021/acs.organomet.6b00374","","","0.71073","MoKα","","0.0493","0.0341","","","0.0677","0.0725","","","","","","1.041","","","","has coordinates","237801","2020-10-21","18:00:00",""
"4088744","16.0481","0.0014","9.5636","0.0009","10.3892","0.0009","90","","90","","90","","1594.5","0.2","100","2","100","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C13 H20 Co N3 O3 -","- C13 H20 Co N3 O3 -","- C52 H80 Co4 N12 O12 -","4","0.5","","Hering, Florian; Berthel, Johannes H. J.; Lubitz, Katharina; Paul, Ursula S. D.; Schneider, Heidi; Härterich, Marcel; Radius, Udo","Synthesis and Thermal Properties of Novel NHC-Stabilized Cobalt Carbonyl Nitrosyl Complexes","Organometallics","2016","35","17","2806","","10.1021/acs.organomet.6b00374","","","0.71073","MoKα","","0.0733","0.0566","","","0.1559","0.1679","","","","","","1.064","","","","has coordinates","237801","2020-10-21","18:00:00",""
"4088745","9.6054","0.0004","16.3771","0.0007","18.1203","0.0007","90","","91.515","0.001","90","","2849.5","0.2","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C29 H36 Co N3 O3 -","- C29 H36 Co N3 O3 -","- C116 H144 Co4 N12 O12 -","4","1","","Hering, Florian; Berthel, Johannes H. J.; Lubitz, Katharina; Paul, Ursula S. D.; Schneider, Heidi; Härterich, Marcel; Radius, Udo","Synthesis and Thermal Properties of Novel NHC-Stabilized Cobalt Carbonyl Nitrosyl Complexes","Organometallics","2016","35","17","2806","","10.1021/acs.organomet.6b00374","","","0.71073","MoKα","","0.0362","0.0307","","","0.0784","0.0817","","","","","","1.034","","","","has coordinates","237801","2020-10-21","18:00:00",""
"4088746","7.6104","0.001","8.3315","0.001","19.219","0.002","78.957","0.004","87.909","0.004","68.579","0.004","1112.7","0.2","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C23 H24 Co N3 O3 -","- C23 H24 Co N3 O3 -","- C46 H48 Co2 N6 O6 -","2","1","","Hering, Florian; Berthel, Johannes H. J.; Lubitz, Katharina; Paul, Ursula S. D.; Schneider, Heidi; Härterich, Marcel; Radius, Udo","Synthesis and Thermal Properties of Novel NHC-Stabilized Cobalt Carbonyl Nitrosyl Complexes","Organometallics","2016","35","17","2806","","10.1021/acs.organomet.6b00374","","","0.71073","MoKα","","0.0479","0.0366","","","0.0819","0.0865","","","","","","1.052","","","","has coordinates","237801","2020-10-21","18:00:00",""
"4088747","12.5393","0.0008","7.8237","0.0005","15.1292","0.0009","90","","110.084","0.002","90","","1393.98","0.15","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C11 H16 Co N3 O3 -","- C11 H16 Co N3 O3 -","- C44 H64 Co4 N12 O12 -","4","1","","Hering, Florian; Berthel, Johannes H. J.; Lubitz, Katharina; Paul, Ursula S. D.; Schneider, Heidi; Härterich, Marcel; Radius, Udo","Synthesis and Thermal Properties of Novel NHC-Stabilized Cobalt Carbonyl Nitrosyl Complexes","Organometallics","2016","35","17","2806","","10.1021/acs.organomet.6b00374","","","0.71073","MoKα","","0.024","0.0228","","","0.0587","0.0597","","","","","","1.051","","","","has coordinates","237801","2020-10-21","18:00:00",""
"4088748","7.1478","0.0006","7.763","0.0006","9.4028","0.0008","75.97","0.003","71.492","0.003","76.53","0.003","473.05","0.07","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C7 H8 Co N3 O3 -","- C7 H8 Co N3 O3 -","- C14 H16 Co2 N6 O6 -","2","1","","Hering, Florian; Berthel, Johannes H. J.; Lubitz, Katharina; Paul, Ursula S. D.; Schneider, Heidi; Härterich, Marcel; Radius, Udo","Synthesis and Thermal Properties of Novel NHC-Stabilized Cobalt Carbonyl Nitrosyl Complexes","Organometallics","2016","35","17","2806","","10.1021/acs.organomet.6b00374","","","0.71073","MoKα","","0.0335","0.032","","","0.0772","0.0783","","","","","","1.074","","","","has coordinates","237801","2020-10-21","18:00:00",""
"4088749","8.6254","0.0003","9.184","0.0003","11.326","0.0004","70.209","0.001","78.048","0.001","64.995","0.001","762.92","0.05","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C13 H20 Co N3 O3 -","- C13 H20 Co N3 O3 -","- C26 H40 Co2 N6 O6 -","2","1","","Hering, Florian; Berthel, Johannes H. J.; Lubitz, Katharina; Paul, Ursula S. D.; Schneider, Heidi; Härterich, Marcel; Radius, Udo","Synthesis and Thermal Properties of Novel NHC-Stabilized Cobalt Carbonyl Nitrosyl Complexes","Organometallics","2016","35","17","2806","","10.1021/acs.organomet.6b00374","","","0.71073","MoKα","","0.0315","0.03","","","0.0738","0.0749","","","","","","1.086","","","","has coordinates","237801","2020-10-21","18:00:00",""
"4088750","7.22","0.0006","27.389","0.002","17.6597","0.0014","90","","91.91","0.002","90","","3490.2","0.5","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C9 H12 Co N3 O3 -","- C9 H12 Co N3 O3 -","- C108 H144 Co12 N36 O36 -","12","3","","Hering, Florian; Berthel, Johannes H. J.; Lubitz, Katharina; Paul, Ursula S. D.; Schneider, Heidi; Härterich, Marcel; Radius, Udo","Synthesis and Thermal Properties of Novel NHC-Stabilized Cobalt Carbonyl Nitrosyl Complexes","Organometallics","2016","35","17","2806","","10.1021/acs.organomet.6b00374","","","0.71073","MoKα","","0.0364","0.0307","","","0.0683","0.0703","","","","","","1.093","","","","has coordinates","237801","2020-10-21","18:00:00",""
"4088751","8.5902","0.0005","17.2237","0.0009","8.8972","0.0005","90","","106.334","0.002","90","","1263.25","0.12","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C10 H14 Co N3 O3 -","- C10 H14 Co N3 O3 -","- C40 H56 Co4 N12 O12 -","4","1","","Hering, Florian; Berthel, Johannes H. J.; Lubitz, Katharina; Paul, Ursula S. D.; Schneider, Heidi; Härterich, Marcel; Radius, Udo","Synthesis and Thermal Properties of Novel NHC-Stabilized Cobalt Carbonyl Nitrosyl Complexes","Organometallics","2016","35","17","2806","","10.1021/acs.organomet.6b00374","","","0.71073","MoKα","","0.022","0.0211","","","0.0558","0.0564","","","","","","1.039","","","","has coordinates","237801","2020-10-21","18:00:00",""
"4088752","9.3162","0.0002","15.031","0.0004","16.1804","0.0004","90","","99.983","0.001","90","","2231.47","0.09","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C22 H31 Co N2 O3 -","- C22 H31 Co N2 O3 -","- C88 H124 Co4 N8 O12 -","4","1","","Hering, Florian; Berthel, Johannes H. J.; Lubitz, Katharina; Paul, Ursula S. D.; Schneider, Heidi; Härterich, Marcel; Radius, Udo","Synthesis and Thermal Properties of Novel NHC-Stabilized Cobalt Carbonyl Nitrosyl Complexes","Organometallics","2016","35","17","2806","","10.1021/acs.organomet.6b00374","","","0.71073","MoKα","","0.0386","0.0312","","","0.0742","0.078","","","","","","1.039","","","","has coordinates","237801","2020-10-21","18:00:00",""
"4088753","13.7522","0.0007","18.5133","0.0009","26.4525","0.0014","90","","100.868","0.002","90","","6614","0.6","100","2","100.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","Na[Co(CNArMes2)3(CO)](Et2O)","","","- C80 H85 Co N3 Na O2 -","- C80 H85 Co N3 Na O2 -","- C320 H340 Co4 N12 Na4 O8 -","4","1","","Carpenter, Alex E.; Chan, Chinglin; Rheingold, Arnold L.; Figueroa, Joshua S.","A Well-Defined Isocyano Analogue of HCo(CO)4. 2: Relative Brønsted Acidity as a Function of Isocyanide Ligation","Organometallics","2016","35","14","2319","","10.1021/acs.organomet.6b00375","","","0.71073","MoKα","","0.1056","0.0517","","","0.1023","0.121","","","","","","1","","","","has coordinates,has disorder","237804","2020-10-21","18:00:00",""
"4088754","12.5478","0.0019","13.359","0.002","18.742","0.003","75.175","0.009","78.801","0.007","68.362","0.007","2805.6","0.8","100","2","100","","","","","","","","","6","P -1","-P 1","2","Na(THF)3[Na(CO)2(CNArMes2)2]","","","- C64 H74 Co N2 Na O5 -","- C64 H74 Co N2 Na O5 -","- C128 H148 Co2 N4 Na2 O10 -","2","1","","Carpenter, Alex E.; Chan, Chinglin; Rheingold, Arnold L.; Figueroa, Joshua S.","A Well-Defined Isocyano Analogue of HCo(CO)4. 2: Relative Brønsted Acidity as a Function of Isocyanide Ligation","Organometallics","2016","35","14","2319","","10.1021/acs.organomet.6b00375","","","0.71073","MoKα","","0.0562","0.0394","","","0.0897","0.0964","","","","","","1.029","","","","has coordinates,has disorder","237804","2020-10-21","18:00:00",""
"4088755","24.377","0.004","16.575","0.003","38.687","0.006","90","","98.267","0.002","90","","15469","4","100","2","99.85","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","PPN[Co(CO)2(CNArMes2)2] Et2O","","","- C92 H90 Co N3 O3 P2 -","- C92 H90 Co N3 O3 P2 -","- C736 H720 Co8 N24 O24 P16 -","8","1","","Carpenter, Alex E.; Chan, Chinglin; Rheingold, Arnold L.; Figueroa, Joshua S.","A Well-Defined Isocyano Analogue of HCo(CO)4. 2: Relative Brønsted Acidity as a Function of Isocyanide Ligation","Organometallics","2016","35","14","2319","","10.1021/acs.organomet.6b00375","","","0.71073","MoKα","","0.1836","0.1056","","","0.2008","0.2284","","","","","","1.155","","","","has coordinates,has disorder","237804","2020-10-21","18:00:00",""
"4088756","15.658","0.003","13.44","0.003","20.941","0.004","90","","104.796","0.008","90","","4260.8","1.5","100","2","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","HCo(CO)2(CNArMes2)2","","","- C52 H51 Co N2 O2 -","- C52 H51 Co N2 O2 -","- C208 H204 Co4 N8 O8 -","4","1","","Carpenter, Alex E.; Chan, Chinglin; Rheingold, Arnold L.; Figueroa, Joshua S.","A Well-Defined Isocyano Analogue of HCo(CO)4. 2: Relative Brønsted Acidity as a Function of Isocyanide Ligation","Organometallics","2016","35","14","2319","","10.1021/acs.organomet.6b00375","","","0.71073","MoKα","","0.0502","0.0379","","","0.0921","0.0981","","","","","","1.027","","","","has coordinates","237804","2020-10-21","18:00:00",""
"4088757","11.2666","0.0014","12.1163","0.0014","12.1953","0.0012","104.217","0.008","111.985","0.008","90.688","0.008","1486.4","0.3","100","2","100.15","","","","","","","","","6","P -1","-P 1","2","Na(Et2O)[Co(CO)3(CNArMes2)]","","","- C32 H35 Co N Na O4 -","- C32 H35 Co N Na O4 -","- C64 H70 Co2 N2 Na2 O8 -","2","1","","Carpenter, Alex E.; Chan, Chinglin; Rheingold, Arnold L.; Figueroa, Joshua S.","A Well-Defined Isocyano Analogue of HCo(CO)4. 2: Relative Brønsted Acidity as a Function of Isocyanide Ligation","Organometallics","2016","35","14","2319","","10.1021/acs.organomet.6b00375","","","0.71073","MoKα","","0.082","0.0471","","","0.0969","0.1089","","","","","","1.016","","","","has coordinates","264242","2021-04-16","08:51:28",""
"4088758","12.5064","0.0007","15.304","0.0008","16.2449","0.0009","106.515","0.002","96.958","0.003","96.827","0.002","2920.4","0.3","100","","100","","","","","","","","","7","P -1","-P 1","2","PPN[Co(CNArMes2)(CO)3]","","","- C70 H60 Co F N2 O3 P2 -","- C70 H60 Co F N2 O3 P2 -","- C140 H120 Co2 F2 N4 O6 P4 -","2","1","","Carpenter, Alex E.; Chan, Chinglin; Rheingold, Arnold L.; Figueroa, Joshua S.","A Well-Defined Isocyano Analogue of HCo(CO)4. 2: Relative Brønsted Acidity as a Function of Isocyanide Ligation","Organometallics","2016","35","14","2319","","10.1021/acs.organomet.6b00375","","x-ray","0.71073","MoKα","","0.0527","0.0367","","","0.0781","0.0846","","","","","","1.018","","","","has coordinates","237804","2020-10-21","18:00:00",""
"4088759","11.6947","0.0004","22.7022","0.0007","13.3106","0.0004","90","","120.437","0.002","90","","3046.88","0.18","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C34 H28 Cl3 N3 Pd -","- C34 H28 Cl3 N3 Pd -","- C136 H112 Cl12 N12 Pd4 -","4","1","","He, Xu-Xian; Li, Yinwu; Ma, Bei-Bei; Ke, Zhuofeng; Liu, Feng-Shou","Sterically Encumbered Tetraarylimidazolium Carbene Pd-PEPPSI Complexes: Highly Efficient Direct Arylation of Imidazoles with Aryl Bromides under Aerobic Conditions","Organometallics","2016","35","16","2655","","10.1021/acs.organomet.6b00391","","","0.71073","MoKα","","0.0566","0.0421","","","0.1055","0.1138","","","","","","1.03","","","","has coordinates","237806","2020-10-21","18:00:00",""
"4088760","13.5097","0.0006","19.2606","0.0007","12.5388","0.0005","90","","99.154","0.001","90","","3221.1","0.2","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C36 H32 Cl3 N3 Pd -","- C36 H32 Cl3 N3 Pd -","- C144 H128 Cl12 N12 Pd4 -","4","0.5","","He, Xu-Xian; Li, Yinwu; Ma, Bei-Bei; Ke, Zhuofeng; Liu, Feng-Shou","Sterically Encumbered Tetraarylimidazolium Carbene Pd-PEPPSI Complexes: Highly Efficient Direct Arylation of Imidazoles with Aryl Bromides under Aerobic Conditions","Organometallics","2016","35","16","2655","","10.1021/acs.organomet.6b00391","","","0.71073","MoKα","","0.0317","0.0288","","","0.075","0.0766","","","","","","1.074","","","","has coordinates","237806","2020-10-21","18:00:00",""
"4088761","11.6356","0.0004","23.0959","0.0005","12.5597","0.0004","90","","113.572","0.004","90","","3093.59","0.19","","","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C34 H29 Cl2 N3 Pd -","- C34 H29 Cl2 N3 Pd -","- C136 H116 Cl8 N12 Pd4 -","4","1","","He, Xu-Xian; Li, Yinwu; Ma, Bei-Bei; Ke, Zhuofeng; Liu, Feng-Shou","Sterically Encumbered Tetraarylimidazolium Carbene Pd-PEPPSI Complexes: Highly Efficient Direct Arylation of Imidazoles with Aryl Bromides under Aerobic Conditions","Organometallics","2016","35","16","2655","","10.1021/acs.organomet.6b00391","","","1.5418","CuKα","","0.0766","0.0693","","","","0.187","","","","","","1.0516","","","","has coordinates","237806","2020-10-21","18:00:00",""
"4088762","8.1014","0.0004","19.6607","0.0009","11.7352","0.0006","90","","94.836","0.003","90","","1862.52","0.16","110","2","110","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","1175","","","- C17 H12 F10 N3 O Re -","- C17 H12 F10 N3 O Re -","- C68 H48 F40 N12 O4 Re4 -","4","1","","Lambic, Nikola S.; Lilly, Cassandra P.; Robbins, Leanna K.; Sommer, Roger D.; Ison, Elon A.","Reductive Carbonylation of Oxorhenium Hydrides Induced by Lewis Acids","Organometallics","2016","35","17","2822","","10.1021/acs.organomet.6b00393","","","0.71073","MoKα","","0.0681","0.0457","","","0.1104","0.1242","","","","","","1.046","","","","has coordinates,has disorder","237808","2020-10-21","18:00:00",""
"4088763","9.1424","0.0003","9.8897","0.0004","20.4731","0.0007","80.728","0.002","77.828","0.002","83.623","0.002","1780.12","0.11","100","2","100","2","","","","","","","","8","P -1","-P 1","2","DippBF3","","","- C34.5 H42 B Cl F4 N3 O3 Re -","- C34.5 H42 B Cl F4 N3 O3 Re -","- C69 H84 B2 Cl2 F8 N6 O6 Re2 -","2","1","","Lambic, Nikola S.; Lilly, Cassandra P.; Robbins, Leanna K.; Sommer, Roger D.; Ison, Elon A.","Reductive Carbonylation of Oxorhenium Hydrides Induced by Lewis Acids","Organometallics","2016","35","17","2822","","10.1021/acs.organomet.6b00393","","","0.71073","MoKα","","0.0221","0.0208","","","0.0436","0.0441","","","","","","1.061","","","","has coordinates,has disorder","237808","2020-10-21","18:00:00",""
"4088764","11.143","0.013","11.946","0.015","36.09","0.04","90","","90.25","0.02","90","","4804","10","150","2","150","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C47 H68 F3 N2 O5 Os P S -","- C47 H68 F3 N2 O5 Os P S -","- C188 H272 F12 N8 O20 Os4 P4 S4 -","4","1","","Buil, María L.; Cardo, Juan J. F.; Esteruelas, Miguel A.; Oñate, Enrique","Dehydrogenative Addition of Aldehydes to a Mixed NHC-Osmium-Phosphine Hydroxide Complex: Formation of Carboxylate Derivatives","Organometallics","2016","35","13","2171","","10.1021/acs.organomet.6b00396","","","0.71073","MoKα","","0.1202","0.0568","","","0.1202","0.1421","","","","","","1.028","","","","has coordinates,has disorder","237810","2020-10-21","18:00:00",""
"4088765","11.0512","0.0014","23.076","0.003","20.426","0.003","90","","90.561","0.002","90","","5208.7","1.2","100","2","100","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C53 H70 F3 N2 O5 Os P S -","- C53 H70 F3 N2 O5 Os P S -","- C212 H280 F12 N8 O20 Os4 P4 S4 -","4","1","","Buil, María L.; Cardo, Juan J. F.; Esteruelas, Miguel A.; Oñate, Enrique","Dehydrogenative Addition of Aldehydes to a Mixed NHC-Osmium-Phosphine Hydroxide Complex: Formation of Carboxylate Derivatives","Organometallics","2016","35","13","2171","","10.1021/acs.organomet.6b00396","","","0.71073","MoKα","","0.0452","0.0311","","","0.0708","0.0753","","","","","","1.204","","","","has coordinates,has disorder","237810","2020-10-21","18:00:00",""
"4088766","10.92","0.006","10.937","0.006","18.86","0.012","82.894","0.015","83.623","0.018","75.097","0.013","2153","2","113","","113","","","","","","","","","5","P -1","-P 1","2","","","","- C40 H53 Cl5 P2 Ta2 -","- C40 H53 Cl5 P2 Ta2 -","- C80 H106 Cl10 P4 Ta4 -","2","1","","Yamamoto, Keishi; Nagae, Haruki; Tsurugi, Hayato; Mashima, Kazushi","Synthesis and Reactions of Ditantalum—Allyl Complexes Derived from Intramolecular C‒H Bond Activation of the Methylene of the Ethyl Group Bound to Ditantallacyclopentadiene","Organometallics","2016","35","14","2384","","10.1021/acs.organomet.6b00402","","","0.71075","MoKα","","0.0619","0.0484","","","0.1149","0.1284","","","","","","1.007","","","","has coordinates","237812","2020-10-21","18:00:00",""
"4088767","9.4688","0.0009","12.3457","0.0012","12.8125","0.0012","92.462","0.004","95.7","0.003","93.168","0.003","1486.3","0.2","113","","113","","","","","","","","","4","P -1","-P 1","2","","","","- C58 H64 Cl10 Ta4 -","- C58 H64 Cl10 Ta4 -","- C58 H64 Cl10 Ta4 -","1","0.5","","Yamamoto, Keishi; Nagae, Haruki; Tsurugi, Hayato; Mashima, Kazushi","Synthesis and Reactions of Ditantalum—Allyl Complexes Derived from Intramolecular C‒H Bond Activation of the Methylene of the Ethyl Group Bound to Ditantallacyclopentadiene","Organometallics","2016","35","14","2384","","10.1021/acs.organomet.6b00402","","","0.71075","MoKα","","0.0139","0.0128","","","0.0303","0.0306","","","","","","1.094","","","","has coordinates","237812","2020-10-21","18:00:00",""
"4088768","8.912","0.003","10.386","0.003","13.515","0.003","94.684","0.005","97.881","0.009","99.817","0.007","1213.9","0.6","113","","113","","","","","","","","","5","P -1","-P 1","2","","","","- C17 H29 Cl5 Si Ta2 -","- C17 H29 Cl5 Si Ta2 -","- C34 H58 Cl10 Si2 Ta4 -","2","1","","Yamamoto, Keishi; Nagae, Haruki; Tsurugi, Hayato; Mashima, Kazushi","Synthesis and Reactions of Ditantalum—Allyl Complexes Derived from Intramolecular C‒H Bond Activation of the Methylene of the Ethyl Group Bound to Ditantallacyclopentadiene","Organometallics","2016","35","14","2384","","10.1021/acs.organomet.6b00402","","","0.71075","MoKα","","0.0165","0.0134","","","0.031","0.0316","","","","","","1.034","","","","has coordinates","237812","2020-10-21","18:00:00",""
"4088769","14.511","0.005","22.423","0.008","14.415","0.005","90","","96.026","0.005","90","","4664","3","113","","113","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H26 Cl5 N Ta2 -","- C19 H26 Cl5 N Ta2 -","- C152 H208 Cl40 N8 Ta16 -","8","2","","Yamamoto, Keishi; Nagae, Haruki; Tsurugi, Hayato; Mashima, Kazushi","Synthesis and Reactions of Ditantalum—Allyl Complexes Derived from Intramolecular C‒H Bond Activation of the Methylene of the Ethyl Group Bound to Ditantallacyclopentadiene","Organometallics","2016","35","14","2384","","10.1021/acs.organomet.6b00402","","","0.71075","MoKα","","0.0785","0.071","","","0.1556","0.1622","","","","","","1.164","","","","has coordinates","237812","2020-10-21","18:00:00",""
"4088770","18.4755","0.0012","18.4755","0.0012","9.9813","0.0006","90","","90","","120","","2950.6","0.3","173","2","173","2","","","","","","","","5","P 63","P 6c","173","AJ-I-97","""AJ-I-97""","","- C55 H45 Ni O P3 -","- C55 H45 Ni O P3 -","- C110 H90 Ni2 O2 P6 -","2","0.333333","","John, Alex; Miranda, Maria O.; Ding, Keying; Dereli, Büsra; Ortuño, Manuel A.; LaPointe, Anne M.; Coates, Geoffrey W.; Cramer, Christopher J.; Tolman, William B.","Nickel Catalysts for the Dehydrative Decarbonylation of Carboxylic Acids to Alkenes","Organometallics","2016","35","14","2391","","10.1021/acs.organomet.6b00415","","","0.71073","MoKα","","0.0364","0.0308","","","0.0615","0.0632","","","","","","0.978","","","","has coordinates","237814","2020-10-21","18:00:00",""
"4088771","11.202","0.0012","16.4233","0.0019","27.815","0.002","90","","95.383","0.006","90","","5094.7","0.9","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","05sdt105","05sdt105","","- C47 H40 B F20 O3 P2 Rh -","- C47 H40 B F20 O3 P2 Rh -","- C188 H160 B4 F80 O12 P8 Rh4 -","4","1","","Cherry, Sophia D. T.; Kaminsky, Werner; Heinekey, D. Michael","Structure of a Novel Rhodium Phosphinite Compound: Agostic Interactions as a Model for an Oxidative Addition Intermediate","Organometallics","2016","35","12","2165","","10.1021/acs.organomet.6b00418","","","0.71073","MoKα","","0.1069","0.0575","","","0.1028","0.1207","","","","","","0.977","","","","has coordinates","237816","2020-10-21","18:00:00",""
"4088772","21.8594","0.0009","19.7815","0.0009","18.6796","0.0008","90","","108.641","0.001","90","","7653.5","0.6","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C40 H38 F12 N Nb O2 -","- C40 H38 F12 N Nb O2 -","- C320 H304 F96 N8 Nb8 O16 -","8","2","","VenkatRamani, Sudarsan; Roland, Christopher D.; Zhang, James G.; Ghiviriga, Ion; Abboud, Khalil A.; Veige, Adam S.","Trianionic Pincer Complexes of Niobium and Tantalum as Precatalysts for ROMP of Norbornene","Organometallics","2016","35","16","2675","","10.1021/acs.organomet.6b00421","","","0.71073","MoKα","","0.0588","0.0348","","","0.0703","0.0777","","","","","","0.947","","","","has coordinates","237818","2020-10-21","18:00:00",""
"4088773","8.5099","0.0003","13.0628","0.0005","14.0488","0.0005","90","","127.285","0.001","90","","1242.55","0.08","100","","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","trimethyl(N,N,N',N'-tetramethylethylenediamine)manganese","","- C9 H25 Mn N2 -","- C9 H25 Mn N2 -","- C36 H100 Mn4 N8 -","4","1","","Stalzer, Madelyn M.; Telser, Joshua; Krzystek, Jurek; Motta, Alessandro; Delferro, Massimiliano; Marks, Tobin J.","A Neutrally Charged Trimethylmanganese(III) Complex: Synthesis, Characterization, and Disproportionation Chemistry","Organometallics","2016","35","16","2683","","10.1021/acs.organomet.6b00422","","","0.71073","MoKα","","0.0212","0.0201","","","0.0536","0.0544","","","","","","1.088","","","","has coordinates","237820","2020-10-21","18:00:00",""
"4088774","10.9462","0.0008","11.8486","0.001","17.7478","0.0013","90","","90","","90","","2301.8","0.3","100","","100.14","","","","","","","","","4","C m c e","-C 2ac 2","64","","","","- C8 H22 Mn N2 -","- C8 H22 Mn N2 -","- C64 H176 Mn8 N16 -","8","0.5","","Stalzer, Madelyn M.; Telser, Joshua; Krzystek, Jurek; Motta, Alessandro; Delferro, Massimiliano; Marks, Tobin J.","A Neutrally Charged Trimethylmanganese(III) Complex: Synthesis, Characterization, and Disproportionation Chemistry","Organometallics","2016","35","16","2683","","10.1021/acs.organomet.6b00422","","x-ray","0.71073","MoKα","","0.0462","0.0358","","","0.1101","0.1152","","","","","","1.06","","","","has coordinates,has disorder","237822","2020-10-21","18:00:00",""
"4088775","13.1561","0.0013","14.4015","0.0016","14.2142","0.0015","90","","116.098","0.004","90","","2418.5","0.4","100","2","100","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C22 H24 Cl F6 N4 O P Ru -","- C22 H24 Cl F6 N4 O P Ru -","- C88 H96 Cl4 F24 N16 O4 P4 Ru4 -","4","1","","Sommer, Michael G.; Marinova, Sofiya; Krafft, Michael J.; Urankar, Damijana; Schweinfurth, David; Bubrin, Martina; Košmrlj, Janez; Sarkar, Biprajit","Ruthenium Azocarboxamide Half-Sandwich Complexes: Influence of the Coordination Mode on the Electronic Structure and Activity in Base-Free Transfer Hydrogenation Catalysis","Organometallics","2016","35","17","2840","","10.1021/acs.organomet.6b00424","","","0.71073","MoKα","","0.092","0.0427","","","0.0585","0.0678","","","","","","1.013","","","","has coordinates","237824","2020-10-21","18:00:00",""
"4088776","9.4895","0.0015","21.739","0.004","12.834","0.002","90","","106.977","0.014","90","","2532.2","0.8","100","2","100","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C21 H22 Cl2 F6 N5 O P Ru -","- C21 H22 Cl2 F6 N5 O P Ru -","- C84 H88 Cl8 F24 N20 O4 P4 Ru4 -","4","1","","Sommer, Michael G.; Marinova, Sofiya; Krafft, Michael J.; Urankar, Damijana; Schweinfurth, David; Bubrin, Martina; Košmrlj, Janez; Sarkar, Biprajit","Ruthenium Azocarboxamide Half-Sandwich Complexes: Influence of the Coordination Mode on the Electronic Structure and Activity in Base-Free Transfer Hydrogenation Catalysis","Organometallics","2016","35","17","2840","","10.1021/acs.organomet.6b00424","","","1.54178","CuKα","","0.2325","0.1522","","","0.3007","0.3344","","","","","","1.114","","","","has coordinates","237824","2020-10-21","18:00:00",""
"4088777","11.9427","0.0002","12.3693","0.0002","18.9366","0.0004","90","","105.16","0.001","90","","2700.02","0.09","223","2","223","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C29 H17 B Cl2 F10 Ti -","- C29 H17 B Cl2 F10 Ti -","- C116 H68 B4 Cl8 F40 Ti4 -","4","1","","Kohrt, Sonja; Kehr, Gerald; Daniliuc, Constantin G.; Rojas, René S.; Rieger, Bernhard; Troll, Carsten; Erker, Gerhard","Borata-Alkene Derived Syntheses of (F5C6)2B-Substituted Bis(indenyl) Group 4 Metal Complexes","Organometallics","2016","35","16","2689","","10.1021/acs.organomet.6b00427","","","0.71073","MoKα","","0.0803","0.056","","","0.1017","0.1164","","","","","","1.079","","","","has coordinates","237826","2020-10-21","18:00:00",""
"4088778","11.6443","0.0002","20.1078","0.0003","12.1775","0.0003","90","","98.686","0.001","90","","2818.55","0.09","223","2","223","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C29 H17 B Cl2 F10 Zr -","- C29 H17 B Cl2 F10 Zr -","- C116 H68 B4 Cl8 F40 Zr4 -","4","1","","Kohrt, Sonja; Kehr, Gerald; Daniliuc, Constantin G.; Rojas, René S.; Rieger, Bernhard; Troll, Carsten; Erker, Gerhard","Borata-Alkene Derived Syntheses of (F5C6)2B-Substituted Bis(indenyl) Group 4 Metal Complexes","Organometallics","2016","35","16","2689","","10.1021/acs.organomet.6b00427","","","0.71073","MoKα","","0.041","0.0333","","","0.069","0.0742","","","","","","1.06","","","","has coordinates,has disorder","237826","2020-10-21","18:00:00",""
"4088779","18.1974","0.0004","9.3921","0.0002","19.462","0.0005","90","","90.236","0.001","90","","3326.26","0.13","223","2","223","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C36 H26 B Cl F10 O Zr -","- C36 H26 B Cl F10 O Zr -","- C144 H104 B4 Cl4 F40 O4 Zr4 -","4","1","","Kohrt, Sonja; Kehr, Gerald; Daniliuc, Constantin G.; Rojas, René S.; Rieger, Bernhard; Troll, Carsten; Erker, Gerhard","Borata-Alkene Derived Syntheses of (F5C6)2B-Substituted Bis(indenyl) Group 4 Metal Complexes","Organometallics","2016","35","16","2689","","10.1021/acs.organomet.6b00427","","","0.71073","MoKα","","0.1128","0.0647","","","0.1278","0.149","","","","","","1.028","","","","has coordinates,has disorder","237826","2020-10-21","18:00:00",""
"4088780","14.3236","0.0006","14.5716","0.0007","21.9673","0.001","94.204","0.001","106.481","0.001","90.454","0.001","4382.8","0.3","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C106 H118 O8 Yb2 -","- C106 H118 O8 Yb2 -","- C212 H236 O16 Yb4 -","2","1","","Selikhov, Alexander N.; Mahrova, Tatyana V.; Cherkasov, Anton V.; Fukin, Georgy K.; Kirillov, Evgueni; Alvarez Lamsfus, Carlos; Maron, Laurent; Trifonov, Alexander A.","Yb(II) Triple-Decker Complex with the μ-Bridging Naphthalene Dianion [CpBn5Yb(DME)]2(μ-η4:η4-C10H8). Oxidative Substitution of [C10H8]2‒ by 1,4-Diphenylbuta-1,3-diene and P4 and Protonolysis of the Yb‒C10H8 Bond by PhPH2","Organometallics","2016","35","14","2401","","10.1021/acs.organomet.6b00428","","","0.71073","MoKα","","0.0276","0.024","","","0.0604","0.062","","","","","","1.053","","","","has coordinates","237828","2020-10-21","18:00:00",""
"4088781","10.3061","0.0002","15.501","0.0003","15.935","0.0004","74.539","0.002","83.433","0.002","77.549","0.002","2391.48","0.09","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C118 H118 O4 Yb2 -","- C118 H118 O4 Yb2 -","- C118 H118 O4 Yb2 -","1","0.5","","Selikhov, Alexander N.; Mahrova, Tatyana V.; Cherkasov, Anton V.; Fukin, Georgy K.; Kirillov, Evgueni; Alvarez Lamsfus, Carlos; Maron, Laurent; Trifonov, Alexander A.","Yb(II) Triple-Decker Complex with the μ-Bridging Naphthalene Dianion [CpBn5Yb(DME)]2(μ-η4:η4-C10H8). Oxidative Substitution of [C10H8]2‒ by 1,4-Diphenylbuta-1,3-diene and P4 and Protonolysis of the Yb‒C10H8 Bond by PhPH2","Organometallics","2016","35","14","2401","","10.1021/acs.organomet.6b00428","","","0.71073","MoKα","","0.058","0.0409","","","0.0975","0.1032","","","","","","1.042","","","","has coordinates,has disorder","237828","2020-10-21","18:00:00",""
"4088782","14.0777","0.001","28.066","0.002","17.2223","0.0012","90","","97.389","0.001","90","","6748.1","0.8","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C153 H159 O6 P7 Yb3 -","- C153.007 H159.007 O6 P7 Yb3 -","- C306.014 H318.014 O12 P14 Yb6 -","2","1","","Selikhov, Alexander N.; Mahrova, Tatyana V.; Cherkasov, Anton V.; Fukin, Georgy K.; Kirillov, Evgueni; Alvarez Lamsfus, Carlos; Maron, Laurent; Trifonov, Alexander A.","Yb(II) Triple-Decker Complex with the μ-Bridging Naphthalene Dianion [CpBn5Yb(DME)]2(μ-η4:η4-C10H8). Oxidative Substitution of [C10H8]2‒ by 1,4-Diphenylbuta-1,3-diene and P4 and Protonolysis of the Yb‒C10H8 Bond by PhPH2","Organometallics","2016","35","14","2401","","10.1021/acs.organomet.6b00428","","","0.71073","MoKα","","0.0694","0.0459","","","0.0948","0.106","","","","","","0.998","","","","has coordinates,has disorder","237828","2020-10-21","18:00:00",""
"4088783","12.4364","0.0015","13.6603","0.0016","14.6156","0.0018","91.919","0.002","113.198","0.002","98.59","0.002","2244.9","0.5","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C110 H118 O4.5 P2 Yb2 -","- C110 H118 O4.5 P2 Yb2 -","- C110 H118 O4.5 P2 Yb2 -","1","0.5","","Selikhov, Alexander N.; Mahrova, Tatyana V.; Cherkasov, Anton V.; Fukin, Georgy K.; Kirillov, Evgueni; Alvarez Lamsfus, Carlos; Maron, Laurent; Trifonov, Alexander A.","Yb(II) Triple-Decker Complex with the μ-Bridging Naphthalene Dianion [CpBn5Yb(DME)]2(μ-η4:η4-C10H8). Oxidative Substitution of [C10H8]2‒ by 1,4-Diphenylbuta-1,3-diene and P4 and Protonolysis of the Yb‒C10H8 Bond by PhPH2","Organometallics","2016","35","14","2401","","10.1021/acs.organomet.6b00428","","","0.71073","MoKα","","0.0589","0.0401","","","0.0707","0.0742","","","","","","1.035","","","","has coordinates,has disorder","237828","2020-10-21","18:00:00",""
"4088784","10.2669","0.0003","15.7691","0.0004","21.403","0.0006","79.868","0.001","84.444","0.001","74.315","0.001","3279.64","0.16","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C86 H85 O3 Yb -","- C86 H85 O3 Yb -","- C172 H170 O6 Yb2 -","2","1","","Selikhov, Alexander N.; Mahrova, Tatyana V.; Cherkasov, Anton V.; Fukin, Georgy K.; Kirillov, Evgueni; Alvarez Lamsfus, Carlos; Maron, Laurent; Trifonov, Alexander A.","Yb(II) Triple-Decker Complex with the μ-Bridging Naphthalene Dianion [CpBn5Yb(DME)]2(μ-η4:η4-C10H8). Oxidative Substitution of [C10H8]2‒ by 1,4-Diphenylbuta-1,3-diene and P4 and Protonolysis of the Yb‒C10H8 Bond by PhPH2","Organometallics","2016","35","14","2401","","10.1021/acs.organomet.6b00428","","","0.71073","MoKα","","0.035","0.0309","","","0.0764","0.0785","","","","","","1.09","","","","has coordinates,has disorder","237828","2020-10-21","18:00:00",""
"4088785","10.4176","0.0007","12.974","0.0009","19.5787","0.0014","96.783","0.003","101.973","0.003","106.259","0.003","2441","0.3","293","2","293","2","","","","","","","","9","P -1","-P 1","2","","","","- C50 H51 Cl2 F6 N3 O2 P2 Ru S -","- C50 H51 Cl2 F6 N3 O2 P2 Ru S -","- C100 H102 Cl4 F12 N6 O4 P4 Ru2 S2 -","2","1","","Deo, Claire; Bogliotti, Nicolas; Retailleau, Pascal; Xie, Juan","Triphenylphosphine Photorelease and Induction of Catalytic Activity from Ruthenium-Arene Complexes Bearing a Photoswitchable o-Tosylamide Azobenzene Ligand","Organometallics","2016","35","16","2694","","10.1021/acs.organomet.6b00431","","","0.71075","MoKα","","0.0871","0.0719","","","0.1878","0.2008","","","","","","1.117","","","","has coordinates","237830","2020-10-21","18:00:00",""
"4088786","10.2681","0.0007","14.6075","0.001","15.5975","0.0011","81.341","0.004","85.254","0.004","74.297","0.004","2224.3","0.3","293","2","293","2","","","","","","","","8","P -1","-P 1","2","","","","- C43 H61 F6 N3 O2 P2 Ru S -","- C43 H61 F6 N3 O2 P2 Ru S -","- C86 H122 F12 N6 O4 P4 Ru2 S2 -","2","1","","Deo, Claire; Bogliotti, Nicolas; Retailleau, Pascal; Xie, Juan","Triphenylphosphine Photorelease and Induction of Catalytic Activity from Ruthenium-Arene Complexes Bearing a Photoswitchable o-Tosylamide Azobenzene Ligand","Organometallics","2016","35","16","2694","","10.1021/acs.organomet.6b00431","","","0.71075","MoKα","","0.0936","0.0531","","","0.1104","0.1307","","","","","","1.029","","","","has coordinates,has disorder","237830","2020-10-21","18:00:00",""
"4088787","9.0564","0.0007","19.881","0.0014","20.2967","0.0015","90","","94.357","0.003","90","","3643.9","0.5","173","2","173","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C34 H43 F6 N3 O5 P2 Ru S -","- C34 H43 F6 N3 O5 P2 Ru S -","- C136 H172 F24 N12 O20 P8 Ru4 S4 -","4","1","","Deo, Claire; Bogliotti, Nicolas; Retailleau, Pascal; Xie, Juan","Triphenylphosphine Photorelease and Induction of Catalytic Activity from Ruthenium-Arene Complexes Bearing a Photoswitchable o-Tosylamide Azobenzene Ligand","Organometallics","2016","35","16","2694","","10.1021/acs.organomet.6b00431","","","0.71075","MoKα","","0.0542","0.0354","","","0.0689","0.0774","","","","","","1.04","","","","has coordinates","237830","2020-10-21","18:00:00",""
"4088788","8.0477","0.0004","12.1034","0.0006","18.7685","0.001","71.477","0.003","79.56","0.003","74.539","0.003","1661.36","0.15","293","2","293","2","","","","","","","","8","P -1","-P 1","2","","","","- C32 H38 Cl F6 N3 O2.5 P Ru -","- C32 H38 Cl F6 N3 O2.5 P Ru -","- C64 H76 Cl2 F12 N6 O5 P2 Ru2 -","2","1","","Wambang, Nathalie; Schifano-Faux, Nadège; Martoriati, Alain; Henry, Natacha; Baldeyrou, Brigitte; Bal-Mahieu, Christine; Bousquet, Till; Pellegrini, Sylvain; Meignan, Samuel; Cailliau, Katia; Goossens, Jean-François; Bodart, Jean-François; T. Ndifon, Peter; Pélinski, Lydie","Synthesis, Structure, and Antiproliferative Activity of Ruthenium(II) Arene Complexes of Indenoisoquinoline Derivatives","Organometallics","2016","35","17","2868","","10.1021/acs.organomet.6b00440","","x-ray","0.71073","MoKα","","0.1117","0.0554","","","0.1105","0.1294","","","","","","1.014","","","","has coordinates,has disorder","237831","2020-10-21","18:00:00",""
"4088789","25.7286","0.0005","25.7286","0.0005","8.9644","0.0002","90","","90","","120","","5139.07","0.18","123","2","123","2","","","","","","","","4","R 3 :H","R 3","146","","","","- C72 H90 Li12 N6 -","- C72 H90 Li12 N6 -","- C216 H270 Li36 N18 -","3","0.333333","","Flynn, Matthew T.; Stott, Rachel; Blair, Victoria L.; Andrews, Philip C.","Loss of Chirality through Facile Lewis Base Mediated Aza-enolate Formation in Na and K (S)-N-(α-Methylbenzyl)methallylamides","Organometallics","2016","35","16","2707","","10.1021/acs.organomet.6b00445","","","1.54184","CuKα","","0.0314","0.0305","","","0.0812","0.0821","","","","","","1.055","","","","has coordinates","237832","2020-10-21","18:00:00",""
"4088790","11.4543","0.0006","11.3694","0.0007","8.8489","0.0005","90","","103.044","0.004","90","","1122.64","0.11","123","2","123","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H32 N2 Na2 -","- C24 H32 N2 Na2 -","- C48 H64 N4 Na4 -","2","0.5","","Flynn, Matthew T.; Stott, Rachel; Blair, Victoria L.; Andrews, Philip C.","Loss of Chirality through Facile Lewis Base Mediated Aza-enolate Formation in Na and K (S)-N-(α-Methylbenzyl)methallylamides","Organometallics","2016","35","16","2707","","10.1021/acs.organomet.6b00445","","","0.71073","MoKα","","0.0461","0.0413","","","0.1096","0.1137","","","","","","1.048","","","","has coordinates","237832","2020-10-21","18:00:00",""
"4088791","11.8561","0.0014","23.765","0.003","20.443","0.002","90","","106.44","0.001","90","","5524.5","1.1","123.1","","123.1","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C61 H79 Cl N4 Ni2 -","- C61 H79 Cl N4 Ni2 -","- C244 H316 Cl4 N16 Ni8 -","4","1","","Matsubara, Kouki; Yamamoto, Hitomi; Miyazaki, Satoshi; Inatomi, Takahiro; Nonaka, Keita; Koga, Yuji; Yamada, Yuji; Veiros, Luis F.; Kirchner, Karl","Dinuclear Systems in the Efficient Nickel-Catalyzed Kumada‒Tamao‒Corriu Cross-Coupling of Aryl Halides","Organometallics","2016","36","2","255","","10.1021/acs.organomet.6b00451","","","0.7107","MoKα","","0.0658","0.0572","","","0.1421","0.1488","","","","","","1.096","","","","has coordinates","237834","2020-10-21","18:00:00",""
"4088792","14.4923","0.0009","12.2789","0.0007","31.858","0.003","90","","99.114","0.004","90","","5597.5","0.7","110","","110","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C61 H79 Cl N4 Ni2 O -","- C61 H79 Cl N4 Ni2 O -","- C244 H316 Cl4 N16 Ni8 O4 -","4","1","","Matsubara, Kouki; Yamamoto, Hitomi; Miyazaki, Satoshi; Inatomi, Takahiro; Nonaka, Keita; Koga, Yuji; Yamada, Yuji; Veiros, Luis F.; Kirchner, Karl","Dinuclear Systems in the Efficient Nickel-Catalyzed Kumada‒Tamao‒Corriu Cross-Coupling of Aryl Halides","Organometallics","2016","36","2","255","","10.1021/acs.organomet.6b00451","","","0.71075","MoKα","","","0.0626","","","","0.1378","","","","","","1.191","","","","has coordinates","237834","2020-10-21","18:00:00",""
"4088793","10.5339","0.0016","12.2953","0.0016","13.077","0.002","65.614","0.009","82.275","0.011","67.548","0.009","1425.1","0.4","123","","123","","","","","","","","","4","P -1","-P 1","2","","","","- C67.8 H85.4 N4 Ni2 -","- C67.8 H85.4 N4 Ni2 -","- C67.8 H85.4 N4 Ni2 -","1","0.5","","Matsubara, Kouki; Yamamoto, Hitomi; Miyazaki, Satoshi; Inatomi, Takahiro; Nonaka, Keita; Koga, Yuji; Yamada, Yuji; Veiros, Luis F.; Kirchner, Karl","Dinuclear Systems in the Efficient Nickel-Catalyzed Kumada‒Tamao‒Corriu Cross-Coupling of Aryl Halides","Organometallics","2016","36","2","255","","10.1021/acs.organomet.6b00451","","","0.7107","MoKα","","","0.0591","","","","0.1164","","","","","","1.13","","","","has coordinates","237834","2020-10-21","18:00:00",""
"4088794","12.447","0.003","14.799","0.004","18.718","0.005","73.69","0.018","71.29","0.02","69.138","0.018","2997.1","1.4","113","","113","","","","","","","","","5","P -1","-P 1","2","","","","- C59 H75 Cl4 N5 Ni2 -","- C59 H75 Cl4 N5 Ni2 -","- C118 H150 Cl8 N10 Ni4 -","2","1","","Matsubara, Kouki; Yamamoto, Hitomi; Miyazaki, Satoshi; Inatomi, Takahiro; Nonaka, Keita; Koga, Yuji; Yamada, Yuji; Veiros, Luis F.; Kirchner, Karl","Dinuclear Systems in the Efficient Nickel-Catalyzed Kumada‒Tamao‒Corriu Cross-Coupling of Aryl Halides","Organometallics","2016","36","2","255","","10.1021/acs.organomet.6b00451","","","0.71075","MoKα","","","0.0712","","","","0.1913","","","","","","1.072","","","","has coordinates","237834","2020-10-21","18:00:00",""
"4088795","12.954","0.005","24.222","0.009","13.469","0.005","90","","100.963","0.005","90","","4149","3","123","2","123","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C47 H29 F12 Ir N4 S2 -","- C47 H29 F12 Ir N4 S2 -","- C188 H116 F48 Ir4 N16 S8 -","4","1","","Maya, Rosa A.; Maity, Ayan; Teets, Thomas S.","Fluorination of Cyclometalated Iridium β-Ketoiminate and β-Diketiminate Complexes: Extreme Redox Tuning and Ligand-Centered Excited States","Organometallics","2016","35","17","2890","","10.1021/acs.organomet.6b00453","","","0.71073","MoKα","","0.0227","0.0208","","","0.0485","0.0492","","","","","","1.023","","","","has coordinates,has disorder","237835","2020-10-21","18:00:00",""
"4088796","12.402","0.006","18.073","0.009","19.41","0.009","98.088","0.007","108.28","0.006","96.64","0.006","4030","3","123","2","123","2","","","","","","","","5","P -1","-P 1","2","","","","- C43 H26 F15 Ir N4 -","- C43 H26 F15 Ir N4 -","- C172 H104 F60 Ir4 N16 -","4","2","","Maya, Rosa A.; Maity, Ayan; Teets, Thomas S.","Fluorination of Cyclometalated Iridium β-Ketoiminate and β-Diketiminate Complexes: Extreme Redox Tuning and Ligand-Centered Excited States","Organometallics","2016","35","17","2890","","10.1021/acs.organomet.6b00453","","","0.71073","MoKα","","0.0375","0.0328","","","0.0791","0.0826","","","","","","1.038","","","","has coordinates,has disorder","237835","2020-10-21","18:00:00",""
"4088797","13.059","0.002","24.303","0.004","13.431","0.002","90","","99.784","0.002","90","","4200.6","1.1","123","2","123","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C47 H26 F15 Ir N4 S2 -","- C47 H26 F15 Ir N4 S2 -","- C188 H104 F60 Ir4 N16 S8 -","4","1","","Maya, Rosa A.; Maity, Ayan; Teets, Thomas S.","Fluorination of Cyclometalated Iridium β-Ketoiminate and β-Diketiminate Complexes: Extreme Redox Tuning and Ligand-Centered Excited States","Organometallics","2016","35","17","2890","","10.1021/acs.organomet.6b00453","","","0.71073","MoKα","","0.0237","0.0218","","","0.051","0.0518","","","","","","1.04","","","","has coordinates,has disorder","237835","2020-10-21","18:00:00",""
"4088798","12.474","0.003","18.217","0.005","19.326","0.005","98.117","0.004","107.786","0.003","96.821","0.004","4078.3","1.8","123","2","123","2","","","","","","","","5","P -1","-P 1","2","","","","- C43 H23 F18 Ir N4 -","- C43 H23 F18 Ir N4 -","- C172 H92 F72 Ir4 N16 -","4","2","","Maya, Rosa A.; Maity, Ayan; Teets, Thomas S.","Fluorination of Cyclometalated Iridium β-Ketoiminate and β-Diketiminate Complexes: Extreme Redox Tuning and Ligand-Centered Excited States","Organometallics","2016","35","17","2890","","10.1021/acs.organomet.6b00453","","","0.71073","MoKα","","0.0426","0.037","","","0.0954","0.1005","","","","","","1.055","","","","has coordinates,has disorder","237835","2020-10-21","18:00:00",""
"4088799","13.183","0.005","24.52","0.009","13.463","0.005","90","","98.89","0.005","90","","4300","3","123","2","123","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C47 H23 F18 Ir N4 S2 -","- C47 H23 F18 Ir N4 S2 -","- C188 H92 F72 Ir4 N16 S8 -","4","1","","Maya, Rosa A.; Maity, Ayan; Teets, Thomas S.","Fluorination of Cyclometalated Iridium β-Ketoiminate and β-Diketiminate Complexes: Extreme Redox Tuning and Ligand-Centered Excited States","Organometallics","2016","35","17","2890","","10.1021/acs.organomet.6b00453","","","0.71073","MoKα","","0.021","0.02","","","0.0478","0.0482","","","","","","1.063","","","","has coordinates,has disorder","237835","2020-10-21","18:00:00",""
"4088800","11.081","0.004","17.11","0.005","17.776","0.006","90","","100.234","0.004","90","","3316.6","1.9","123","2","123","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C37 H22 F6 Ir N3 O S2 -","- C37 H22 F6 Ir N3 O S2 -","- C148 H88 F24 Ir4 N12 O4 S8 -","4","1","","Maya, Rosa A.; Maity, Ayan; Teets, Thomas S.","Fluorination of Cyclometalated Iridium β-Ketoiminate and β-Diketiminate Complexes: Extreme Redox Tuning and Ligand-Centered Excited States","Organometallics","2016","35","17","2890","","10.1021/acs.organomet.6b00453","","","0.71073","MoKα","","0.0193","0.0177","","","0.0428","0.0435","","","","","","1.065","","","","has coordinates","237835","2020-10-21","18:00:00",""
"4088801","15.149","0.005","9.752","0.003","21.72","0.007","90","","93.764","0.004","90","","3201.8","1.8","123","2","123","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C35 H20 F12 Ir N3 O -","- C35 H20 F12 Ir N3 O -","- C140 H80 F48 Ir4 N12 O4 -","4","1","","Maya, Rosa A.; Maity, Ayan; Teets, Thomas S.","Fluorination of Cyclometalated Iridium β-Ketoiminate and β-Diketiminate Complexes: Extreme Redox Tuning and Ligand-Centered Excited States","Organometallics","2016","35","17","2890","","10.1021/acs.organomet.6b00453","","","0.71073","MoKα","","0.044","0.0274","","","0.0649","0.0737","","","","","","0.977","","","","has coordinates,has disorder","237835","2020-10-21","18:00:00",""
"4088802","11.017","0.005","30.182","0.013","25.761","0.011","90","","100.721","0.005","90","","8416","6","123","2","123","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C43 H30 F12 Ir N3 O2 S2 -","- C43 H30 F12 Ir N3 O2 S2 -","- C344 H240 F96 Ir8 N24 O16 S16 -","8","2","","Maya, Rosa A.; Maity, Ayan; Teets, Thomas S.","Fluorination of Cyclometalated Iridium β-Ketoiminate and β-Diketiminate Complexes: Extreme Redox Tuning and Ligand-Centered Excited States","Organometallics","2016","35","17","2890","","10.1021/acs.organomet.6b00453","","","0.71073","MoKα","","0.0467","0.0334","","","0.0791","0.0892","","","","","","1.094","","","","has coordinates,has disorder","237835","2020-10-21","18:00:00",""
"4088803","8.5905","0.0016","18.32","0.004","15.217","0.003","90","","95.112","0.006","90","","2385.3","0.8","173","2","173.15","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C25 H21 Cl2 Co N2 P -","- C25 H21 Cl2 Co N2 P -","- C100 H84 Cl8 Co4 N8 P4 -","4","1","","Chu, Wan-Yi; Gilbert-Wilson, Ryan; Rauchfuss, Thomas B.; van Gastel, Maurice; Neese, Frank","Cobalt Phosphino-α-Iminopyridine-Catalyzed Hydrofunctionalization of Alkenes: Catalyst Development and Mechanistic Analysis","Organometallics","2016","35","17","2900","","10.1021/acs.organomet.6b00457","","x-ray","0.71073","MoKα","","0.0514","0.0324","","","0.0686","0.0771","","","","","","1.037","","","","has coordinates,has disorder","237838","2020-10-21","18:00:00",""
"4088804","17.8284","0.0005","14.8154","0.0005","19.7722","0.0007","90","","90","","90","","5222.5","0.3","100","2","100.01","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C30 H23 Cl2 Co N2 P -","- C30 H23 Cl2 Co N2 P -","- C240 H184 Cl16 Co8 N16 P8 -","8","1","","Chu, Wan-Yi; Gilbert-Wilson, Ryan; Rauchfuss, Thomas B.; van Gastel, Maurice; Neese, Frank","Cobalt Phosphino-α-Iminopyridine-Catalyzed Hydrofunctionalization of Alkenes: Catalyst Development and Mechanistic Analysis","Organometallics","2016","35","17","2900","","10.1021/acs.organomet.6b00457","","x-ray","0.71073","MoKα","","0.0553","0.0353","","","0.0753","0.0826","","","","","","1.021","","","","has coordinates","237838","2020-10-21","18:00:00",""
"4088805","7.7546","0.0002","16.1363","0.0005","19.3417","0.0007","90","","92.179","0.001","90","","2418.49","0.13","100","2","100.01","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C27 H25 Cl2 Co N2 P -","- C27 H25 Cl2 Co N2 P -","- C108 H100 Cl8 Co4 N8 P4 -","4","1","","Chu, Wan-Yi; Gilbert-Wilson, Ryan; Rauchfuss, Thomas B.; van Gastel, Maurice; Neese, Frank","Cobalt Phosphino-α-Iminopyridine-Catalyzed Hydrofunctionalization of Alkenes: Catalyst Development and Mechanistic Analysis","Organometallics","2016","35","17","2900","","10.1021/acs.organomet.6b00457","","x-ray","0.71073","MoKα","","0.0481","0.0394","","","0.0995","0.1043","","","","","","1.07","","","","has coordinates","237838","2020-10-21","18:00:00",""
"4088806","8.5561","0.0006","9.1862","0.0006","22.7389","0.0015","90","","93.696","0.002","90","","1783.5","0.2","100","2","99.97","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C40 H38 Cl2 Co2 N4 P2 -","- C40 H38 Cl2 Co2 N4 P2 -","- C80 H76 Cl4 Co4 N8 P4 -","2","0.5","","Chu, Wan-Yi; Gilbert-Wilson, Ryan; Rauchfuss, Thomas B.; van Gastel, Maurice; Neese, Frank","Cobalt Phosphino-α-Iminopyridine-Catalyzed Hydrofunctionalization of Alkenes: Catalyst Development and Mechanistic Analysis","Organometallics","2016","35","17","2900","","10.1021/acs.organomet.6b00457","","x-ray","0.71073","MoKα","","0.0397","0.0323","","","0.0716","0.0751","","","","","","1.114","","","","has coordinates","237838","2020-10-21","18:00:00",""
"4088807","8.3404","0.001","14.6679","0.0016","18.312","0.002","90","","99.677","0.006","90","","2208.3","0.4","173","2","173.15","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C50 H60 Co2 N4 O2 P2 -","- C50 H60 Co2 N4 O2 P2 -","- C100 H120 Co4 N8 O4 P4 -","2","0.5","","Chu, Wan-Yi; Gilbert-Wilson, Ryan; Rauchfuss, Thomas B.; van Gastel, Maurice; Neese, Frank","Cobalt Phosphino-α-Iminopyridine-Catalyzed Hydrofunctionalization of Alkenes: Catalyst Development and Mechanistic Analysis","Organometallics","2016","35","17","2900","","10.1021/acs.organomet.6b00457","","x-ray","0.71073","MoKα","","0.0455","0.0342","","","0.0859","0.0934","","","","","","1.055","","","","has coordinates,has disorder","237838","2020-10-21","18:00:00",""
"4088808","20.5497","0.0007","10.693","0.0004","16.3614","0.0005","90","","90","","90","","3595.2","0.2","101","2","101","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C45 H41 Co N2 P2 -","- C45 H41 Co N2 P2 -","- C180 H164 Co4 N8 P8 -","4","1","","Chu, Wan-Yi; Gilbert-Wilson, Ryan; Rauchfuss, Thomas B.; van Gastel, Maurice; Neese, Frank","Cobalt Phosphino-α-Iminopyridine-Catalyzed Hydrofunctionalization of Alkenes: Catalyst Development and Mechanistic Analysis","Organometallics","2016","35","17","2900","","10.1021/acs.organomet.6b00457","","x-ray","0.71073","MoKα","","0.0655","0.0552","","","0.0982","0.1012","","","","","","1.13","","","","has coordinates","237838","2020-10-21","18:00:00",""
"4088809","15.326","0.0005","18.1145","0.0006","16.2045","0.0006","90","","90","","90","","4498.7","0.3","103","2","102.78","","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C54 H59 Co N2 O2 P2 -","- C54 H59 Co N2 O2 P2 -","- C216 H236 Co4 N8 O8 P8 -","4","1","","Chu, Wan-Yi; Gilbert-Wilson, Ryan; Rauchfuss, Thomas B.; van Gastel, Maurice; Neese, Frank","Cobalt Phosphino-α-Iminopyridine-Catalyzed Hydrofunctionalization of Alkenes: Catalyst Development and Mechanistic Analysis","Organometallics","2016","35","17","2900","","10.1021/acs.organomet.6b00457","","x-ray","0.71073","MoKα","","0.0315","0.0299","","","0.0793","0.0804","","","","","","1.07","","","","has coordinates,has disorder","237838","2020-10-21","18:00:00",""
"4088810","16.3332","0.0009","10.3192","0.0005","25.6745","0.0013","90","","96.828","0.002","90","","4296.6","0.4","100","2","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C53 H49 Co N2 O P2 -","- C53 H49 Co N2 O P2 -","- C212 H196 Co4 N8 O4 P8 -","4","1","","Chu, Wan-Yi; Gilbert-Wilson, Ryan; Rauchfuss, Thomas B.; van Gastel, Maurice; Neese, Frank","Cobalt Phosphino-α-Iminopyridine-Catalyzed Hydrofunctionalization of Alkenes: Catalyst Development and Mechanistic Analysis","Organometallics","2016","35","17","2900","","10.1021/acs.organomet.6b00457","","","0.71073","MoKα","","0.0455","0.035","","","0.0808","0.0856","","","","","","1.057","","","","has coordinates,has disorder","237838","2020-10-21","18:00:00",""
"4088811","11.6401","0.0005","19.7235","0.0008","18.849","0.0007","90","","93.5763","0.0014","90","","4319","0.3","100","2","100.01","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C54 H45 Co N2 P2 Si -","- C54 H45 Co N2 P2 Si -","- C216 H180 Co4 N8 P8 Si4 -","4","1","","Chu, Wan-Yi; Gilbert-Wilson, Ryan; Rauchfuss, Thomas B.; van Gastel, Maurice; Neese, Frank","Cobalt Phosphino-α-Iminopyridine-Catalyzed Hydrofunctionalization of Alkenes: Catalyst Development and Mechanistic Analysis","Organometallics","2016","35","17","2900","","10.1021/acs.organomet.6b00457","","x-ray","0.71073","MoKα","","0.0433","0.0352","","","0.0828","0.087","","","","","","1.068","","","","has coordinates","237838","2020-10-21","18:00:00",""
"4088812","17.2088","0.0012","12.6102","0.0008","16.3707","0.0011","90","","100.567","0.002","90","","3492.3","0.4","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C37 H55 Fe N3 P -","- C37 H55 Fe N3 P -","- C148 H220 Fe4 N12 P4 -","4","1","","Lau, Ka-Cheong; Jordan, Richard F.","Reactivity of (Pyridine-Diimine)Fe Alkyl Complexes with Carbon Dioxide","Organometallics","2016","35","21","3658","","10.1021/acs.organomet.6b00470","","","0.71073","MoKα","","0.0933","0.0751","","","0.1483","0.156","","","","","","1.045","","","","has coordinates,has disorder","237841","2020-10-21","18:00:00",""
"4088813","12.574","0.0008","12.6375","0.0008","31.638","0.0019","90","","96.473","0.002","90","","4995.4","0.5","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C59 H66 B Fe N3 O2 -","- C59 H66 B Fe N3 O2 -","- C236 H264 B4 Fe4 N12 O8 -","4","1","","Lau, Ka-Cheong; Jordan, Richard F.","Reactivity of (Pyridine-Diimine)Fe Alkyl Complexes with Carbon Dioxide","Organometallics","2016","35","21","3658","","10.1021/acs.organomet.6b00470","","","0.71073","MoKα","","0.0847","0.053","","","0.0995","0.1084","","","","","","1.073","","","","has coordinates","237841","2020-10-21","18:00:00",""
"4088814","12.3676","0.0007","12.9676","0.0007","13.9333","0.0008","83.888","0.002","83.489","0.002","80.585","0.002","2181.4","0.2","120","","120","","","","","","","","","6","P -1","-P 1","2","","","","- C106 H112 N2 O4 P4 Ru -","- C106 H112 N2 O4 P4 Ru -","- C106 H112 N2 O4 P4 Ru -","1","0.5","","Al-Owaedi, Oday A.; Milan, David C.; Oerthel, Marie-Christine; Bock, Sören; Yufit, Dmitry S.; Howard, Judith A. K.; Higgins, Simon J.; Nichols, Richard J.; Lambert, Colin J.; Bryce, Martin R.; Low, Paul J.","Experimental and Computational Studies of the Single-Molecule Conductance of Ru(II) and Pt(II) trans-Bis(acetylide) Complexes","Organometallics","2016","35","17","2944","","10.1021/acs.organomet.6b00472","","x-ray","0.71073","MoKα","","0.0402","0.0356","","","0.092","0.0952","","","","","","1.065","","","","has coordinates","237843","2020-10-21","18:00:00",""
"4088815","9.5706","0.0004","13.1673","0.0006","16.6608","0.0009","71.273","0.005","86.786","0.004","71.249","0.004","1880.28","0.17","120","","120","","","","","","","","","6","P -1","-P 1","2","","","","- C90 H94 N2 O4 P2 Pt -","- C90 H94 N2 O4 P2 Pt -","- C90 H94 N2 O4 P2 Pt -","1","0.5","","Al-Owaedi, Oday A.; Milan, David C.; Oerthel, Marie-Christine; Bock, Sören; Yufit, Dmitry S.; Howard, Judith A. K.; Higgins, Simon J.; Nichols, Richard J.; Lambert, Colin J.; Bryce, Martin R.; Low, Paul J.","Experimental and Computational Studies of the Single-Molecule Conductance of Ru(II) and Pt(II) trans-Bis(acetylide) Complexes","Organometallics","2016","35","17","2944","","10.1021/acs.organomet.6b00472","","","0.7107","MoKα","","0.0633","0.0535","","","0.0994","0.1048","","","","","","1.007","","","","has coordinates","237843","2020-10-21","18:00:00",""
"4088816","22.659","0.01","9.469","0.004","22.765","0.01","90","","118.005","0.005","90","","4312","3","100","2","100","","","","","","","","","6","P 1 2/n 1","-P 2yac","13","","","","- C94 H100 O4 P2 Pt S2 -","- C94 H100 O4 P2 Pt S2 -","- C188 H200 O8 P4 Pt2 S4 -","2","0.5","","Al-Owaedi, Oday A.; Milan, David C.; Oerthel, Marie-Christine; Bock, Sören; Yufit, Dmitry S.; Howard, Judith A. K.; Higgins, Simon J.; Nichols, Richard J.; Lambert, Colin J.; Bryce, Martin R.; Low, Paul J.","Experimental and Computational Studies of the Single-Molecule Conductance of Ru(II) and Pt(II) trans-Bis(acetylide) Complexes","Organometallics","2016","35","17","2944","","10.1021/acs.organomet.6b00472","","x-ray","0.6889","synchrotron","","0.1611","0.0949","","","0.2223","0.2517","","","","","","1.024","","","","has coordinates,has disorder","237843","2020-10-21","18:00:00",""
"4088817","21.2844","0.0003","12.13298","0.00017","29.3618","0.0003","90","","92.0206","0.0012","90","","7577.77","0.17","123","1","123","1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C41 H46 N4 Ni S2 -","- C41 H46 N4 Ni S2 -","- C328 H368 N32 Ni8 S16 -","8","1","","Pelties, Stefan; Wolf, Robert","Reaction of Phenyl Iso(thio)cyanate with N-Heterocyclic Carbene-Supported Nickel Complexes: Formation of Nickelacycles","Organometallics","2016","35","16","2722","","10.1021/acs.organomet.6b00473","","x-ray","1.54184","CuKα","","0.0423","0.0371","","","0.093","0.0966","","","","","","1.031","","","","has coordinates","237845","2020-10-21","18:00:00",""
"4088818","10.32832","0.00018","19.6066","0.0003","15.8877","0.0003","90","","98.3793","0.0015","90","","3182.97","0.1","123","1","123","1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C37 H46 N2 Ni -","- C37 H46 N2 Ni -","- C148 H184 N8 Ni4 -","4","1","","Pelties, Stefan; Wolf, Robert","Reaction of Phenyl Iso(thio)cyanate with N-Heterocyclic Carbene-Supported Nickel Complexes: Formation of Nickelacycles","Organometallics","2016","35","16","2722","","10.1021/acs.organomet.6b00473","","x-ray","1.54184","CuKα","","0.0554","0.0526","","","0.1416","0.1437","","","","","","1.142","","","","has coordinates","237845","2020-10-21","18:00:00",""
"4088819","10.3147","0.0002","18.7357","0.0005","19.4834","0.0006","84.582","0.002","82.009","0.002","89.362","0.0018","3712","0.17","123","1","123","1","","","","","","","","5","P -1","-P 1","2","","","","- C42 H49 N3 Ni O -","- C42 H49 N3 Ni O -","- C168 H196 N12 Ni4 O4 -","4","2","","Pelties, Stefan; Wolf, Robert","Reaction of Phenyl Iso(thio)cyanate with N-Heterocyclic Carbene-Supported Nickel Complexes: Formation of Nickelacycles","Organometallics","2016","35","16","2722","","10.1021/acs.organomet.6b00473","","x-ray","1.54184","CuKα","","0.0663","0.0581","","","0.1725","0.1773","","","","","","1.079","","","","has coordinates,has disorder","237845","2020-10-21","18:00:00",""
"4088820","28.675","0.002","14.4213","0.0011","14.2903","0.0011","90","","109.648","0.001","90","","5565.4","0.7","100","1","100","1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C20 H24 Cl2 Fe N2 -","- C20 H24 Cl2 Fe N2 -","- C160 H192 Cl16 Fe8 N16 -","8","1","","Lee, Heejun; Campbell, Michael G.; Hernández Sánchez, Raúl; Börgel, Jonas; Raynaud, Jean; Parker, Sarah E.; Ritter, Tobias","Mechanistic Insight Into High-Spin Iron(I)-Catalyzed Butadiene Dimerization","Organometallics","2016","35","17","2923","","10.1021/acs.organomet.6b00474","","","0.71073","MoKα","","0.0619","0.0466","","","0.1676","0.1737","","","","","","1.15","","","","has coordinates","237847","2020-10-21","18:00:00",""
"4088821","9.8016","0.001","30.318","0.003","8.3018","0.0008","90","","104.986","0.002","90","","2383.1","0.4","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C28 H36 Fe N2 -","- C28 H36 Fe N2 -","- C112 H144 Fe4 N8 -","4","1","","Lee, Heejun; Campbell, Michael G.; Hernández Sánchez, Raúl; Börgel, Jonas; Raynaud, Jean; Parker, Sarah E.; Ritter, Tobias","Mechanistic Insight Into High-Spin Iron(I)-Catalyzed Butadiene Dimerization","Organometallics","2016","35","17","2923","","10.1021/acs.organomet.6b00474","","","0.71073","MoKα","","0.0428","0.034","","","0.0952","0.1029","","","","","","1.047","","","","has coordinates","237847","2020-10-21","18:00:00",""
"4088822","13.76","0.001","13.7555","0.001","12.8368","0.001","90","","97.542","0.002","90","","2408.7","0.3","100","","100","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C28 H36 Fe N2 -","- C28 H36 Fe N2 -","- C112 H144 Fe4 N8 -","4","0.5","","Lee, Heejun; Campbell, Michael G.; Hernández Sánchez, Raúl; Börgel, Jonas; Raynaud, Jean; Parker, Sarah E.; Ritter, Tobias","Mechanistic Insight Into High-Spin Iron(I)-Catalyzed Butadiene Dimerization","Organometallics","2016","35","17","2923","","10.1021/acs.organomet.6b00474","","","0.71073","MoKα","","0.0575","0.0339","","","0.0658","0.0695","","","","","","0.8169","","","","has coordinates","237847","2020-10-21","18:00:00",""
"4088823","8.191","0.005","9.559","0.007","15.583","0.012","97.767","0.013","99.295","0.016","105.53","0.02","1139.5","1.4","100","2","100","2","","","","","","","","4","P 1","P 1","1","","","","- C27 H32 Fe N2 -","- C27 H32 Fe N2 -","- C54 H64 Fe2 N4 -","2","2","","Lee, Heejun; Campbell, Michael G.; Hernández Sánchez, Raúl; Börgel, Jonas; Raynaud, Jean; Parker, Sarah E.; Ritter, Tobias","Mechanistic Insight Into High-Spin Iron(I)-Catalyzed Butadiene Dimerization","Organometallics","2016","35","17","2923","","10.1021/acs.organomet.6b00474","","","0.71073","MoKα","","0.1033","0.076","","","0.1767","0.1926","","","","","","0.991","","","","has coordinates","252052","2020-10-21","18:00:00",""
"4088824","9.6363","0.0015","21.525","0.003","8.328","0.0013","90","","106.176","0.002","90","","1659","0.4","100","1","100","1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H24 Fe N2 -","- C20 H24 Fe N2 -","- C80 H96 Fe4 N8 -","4","1","","Lee, Heejun; Campbell, Michael G.; Hernández Sánchez, Raúl; Börgel, Jonas; Raynaud, Jean; Parker, Sarah E.; Ritter, Tobias","Mechanistic Insight Into High-Spin Iron(I)-Catalyzed Butadiene Dimerization","Organometallics","2016","35","17","2923","","10.1021/acs.organomet.6b00474","","","0.71073","MoKα","","0.067","0.0395","","","0.0837","0.0923","","","","","","1.009","","","","has coordinates","237847","2020-10-21","18:00:00",""
"4088825","11.364","0.006","24.534","0.013","24.644","0.013","90","","90","","90","","6871","6","100","1","100","1","","","","","","","","4","F d d d :2","-F 2uv 2vw","70","","","","- C40 H48 Fe N4 -","- C40 H48 Fe N4 -","- C320 H384 Fe8 N32 -","8","0.25","","Lee, Heejun; Campbell, Michael G.; Hernández Sánchez, Raúl; Börgel, Jonas; Raynaud, Jean; Parker, Sarah E.; Ritter, Tobias","Mechanistic Insight Into High-Spin Iron(I)-Catalyzed Butadiene Dimerization","Organometallics","2016","35","17","2923","","10.1021/acs.organomet.6b00474","","","0.71073","MoKα","","0.0506","0.0411","","","0.0967","0.1023","","","","","","1.051","","","","has coordinates","237847","2020-10-21","18:00:00",""
"4088826","10.1393","0.0008","10.7878","0.001","18.1314","0.0015","77.341","0.008","80.516","0.007","79.342","0.007","1885.6","0.3","100.01","0.1","100.01","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C43 H44 Fe N2 O4 -","- C43 H44 Fe N2 O4 -","- C86 H88 Fe2 N4 O8 -","2","1","","Bhunia, Mrinal; Hota, Pradip Kumar; Vijaykumar, Gonela; Adhikari, Debashis; Mandal, Swadhin K.","A Highly Efficient Base-Metal Catalyst: Chemoselective Reduction of Imines to Amines Using An Abnormal-NHC‒Fe(0) Complex","Organometallics","2016","35","17","2930","","10.1021/acs.organomet.6b00478","","x-ray","0.71073","MoKα","","0.0823","0.0618","","","0.1331","0.1461","","","","","","1.045","","","","has coordinates","237848","2020-10-21","18:00:00",""
"4088827","13.09","0.003","15.73","0.003","20.086","0.004","90","","90","","90","","4135.8","1.5","233","2","233","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C24 H64 Ge2 Mg O2 Si6 -","- C24 H64 Ge2 Mg O2 Si6 -","- C96 H256 Ge8 Mg4 O8 Si24 -","4","1","","Walewska, Małgorzata; Hlina, Johann; Baumgartner, Judith; Müller, Thomas; Marschner, Christoph","Basic Reactivity Pattern of a Cyclic Disilylated Germylene.","Organometallics","2016","35","16","2728","2737","10.1021/acs.organomet.6b00482","","","0.71073","MoKα","","0.0976","0.0651","","","0.1205","0.1309","","","","","","1.065","","","","has coordinates","237850","2020-10-21","18:00:00",""
"4088828","9.4786","0.0019","9.804","0.002","21.437","0.004","92.35","0.03","92.68","0.03","106.31","0.03","1906.8","0.7","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C38 H114 Br2 Ge6 Si14 -","- C38 H114 Br2 Ge6 Si14 -","- C38 H114 Br2 Ge6 Si14 -","1","0.5","","Walewska, Małgorzata; Hlina, Johann; Baumgartner, Judith; Müller, Thomas; Marschner, Christoph","Basic Reactivity Pattern of a Cyclic Disilylated Germylene.","Organometallics","2016","35","16","2728","2737","10.1021/acs.organomet.6b00482","","","0.71073","MoKα","","0.0463","0.0403","","","0.1112","0.1151","","","","","","1.025","","","","has coordinates","237850","2020-10-21","18:00:00",""
"4088829","15.514","0.003","21.002","0.004","22.116","0.004","90","","91.23","0.03","90","","7204","2","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C19 H57 Ge P Si8 -","- C19 H57 Ge P Si8 -","- C152 H456 Ge8 P8 Si64 -","8","1","","Walewska, Małgorzata; Hlina, Johann; Baumgartner, Judith; Müller, Thomas; Marschner, Christoph","Basic Reactivity Pattern of a Cyclic Disilylated Germylene.","Organometallics","2016","35","16","2728","2737","10.1021/acs.organomet.6b00482","","","0.71073","MoKα","","0.0235","0.022","","","0.0581","0.0588","","","","","","1.047","","","","has coordinates","237850","2020-10-21","18:00:00",""
"4088830","24.426","0.011","9.832","0.004","28.905","0.01","90","","93.164","0.01","90","","6931","5","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C37 H96 Ge2 S2 Si16 -","- C37 H96 Ge2 S2 Si16 -","- C148 H384 Ge8 S8 Si64 -","4","0.5","","Walewska, Małgorzata; Hlina, Johann; Baumgartner, Judith; Müller, Thomas; Marschner, Christoph","Basic Reactivity Pattern of a Cyclic Disilylated Germylene.","Organometallics","2016","35","16","2728","2737","10.1021/acs.organomet.6b00482","","","0.71073","MoKα","","0.1235","0.0769","","","0.1488","0.1661","","","","","","1.019","","","","has coordinates","237850","2020-10-21","18:00:00",""
"4088831","9.87","0.002","14.612","0.003","23.672","0.005","105.26","0.03","90.76","0.03","99.54","0.03","3242.3","1.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C32 H96 Ge2 Se2 Si16 -","- C32 H96 Ge2 Se2 Si16 -","- C64 H192 Ge4 Se4 Si32 -","2","1","","Walewska, Małgorzata; Hlina, Johann; Baumgartner, Judith; Müller, Thomas; Marschner, Christoph","Basic Reactivity Pattern of a Cyclic Disilylated Germylene.","Organometallics","2016","35","16","2728","2737","10.1021/acs.organomet.6b00482","","","0.71073","MoKα","","0.1608","0.0915","","","0.2362","0.2586","","","","","","1.032","","","","has coordinates","237850","2020-10-21","18:00:00",""
"4088832","9.7437","0.0019","12.745","0.003","14.836","0.003","102.8","0.03","98.99","0.03","109.42","0.03","1640.6","0.8","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C32 H96 Ge2 Si16 Te2 -","- C32 H96 Ge2 Si16 Te2 -","- C32 H96 Ge2 Si16 Te2 -","1","0.5","","Walewska, Małgorzata; Hlina, Johann; Baumgartner, Judith; Müller, Thomas; Marschner, Christoph","Basic Reactivity Pattern of a Cyclic Disilylated Germylene.","Organometallics","2016","35","16","2728","2737","10.1021/acs.organomet.6b00482","","","0.71073","MoKα","","0.0846","0.081","","","0.1486","0.1501","","","","","","1.418","","","","has coordinates","237850","2020-10-21","18:00:00",""
"4088833","12.715","0.003","8.6713","0.0017","16.752","0.006","90","","119.13","0.02","90","","1613.4","0.8","100","2","100","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C16 H50 Ge O Si8 -","- C16 H50 Ge O Si8 -","- C32 H100 Ge2 O2 Si16 -","2","0.5","","Walewska, Małgorzata; Hlina, Johann; Baumgartner, Judith; Müller, Thomas; Marschner, Christoph","Basic Reactivity Pattern of a Cyclic Disilylated Germylene.","Organometallics","2016","35","16","2728","2737","10.1021/acs.organomet.6b00482","","","0.71073","MoKα","","0.0251","0.0238","","","0.0639","0.0645","","","","","","1.094","","","","has coordinates","237850","2020-10-21","18:00:00",""
"4088834","17.463","0.004","9.327","0.0019","43.232","0.009","90","","100.79","0.03","90","","6917","3","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C18 H53 Br Ge Si8 -","- C18 H53 Br Ge Si8 -","- C144 H424 Br8 Ge8 Si64 -","8","1","","Walewska, Małgorzata; Hlina, Johann; Baumgartner, Judith; Müller, Thomas; Marschner, Christoph","Basic Reactivity Pattern of a Cyclic Disilylated Germylene.","Organometallics","2016","35","16","2728","2737","10.1021/acs.organomet.6b00482","","","0.71073","MoKα","","0.071","0.0527","","","0.1058","0.1117","","","","","","1.117","","","","has coordinates,has disorder","237850","2020-10-21","18:00:00",""
"4088835","9.5187","0.0019","11.025","0.002","17.622","0.004","103.03","0.03","92","0.03","99.13","0.03","1774.1","0.7","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H54 Ge O2 Si8 -","- C20 H54 Ge O2 Si8 -","- C40 H108 Ge2 O4 Si16 -","2","1","","Walewska, Małgorzata; Hlina, Johann; Baumgartner, Judith; Müller, Thomas; Marschner, Christoph","Basic Reactivity Pattern of a Cyclic Disilylated Germylene.","Organometallics","2016","35","16","2728","2737","10.1021/acs.organomet.6b00482","","","0.71073","MoKα","","0.1283","0.0947","","","0.1727","0.1849","","","","","","1.14","","","","has coordinates","237850","2020-10-21","18:00:00",""
"4088836","13.843","0.003","17.869","0.004","17.503","0.004","90","","101.5","0.03","90","","4242.6","1.7","200","2","200","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C30 H58 Ge Si8 -","- C30 H58 Ge Si8 -","- C120 H232 Ge4 Si32 -","4","0.5","","Walewska, Małgorzata; Hlina, Johann; Baumgartner, Judith; Müller, Thomas; Marschner, Christoph","Basic Reactivity Pattern of a Cyclic Disilylated Germylene.","Organometallics","2016","35","16","2728","2737","10.1021/acs.organomet.6b00482","","","0.71073","MoKα","","0.0557","0.0439","","","0.1023","0.1073","","","","","","0.984","","","","has coordinates","237850","2020-10-21","18:00:00",""
"4088837","11.239","0.003","12.7","0.003","16.768","0.004","95.387","0.004","107.925","0.004","96.425","0.004","2242","1","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C26 H66 Ge Si10 -","- C26 H66 Ge Si10 -","- C52 H132 Ge2 Si20 -","2","1","","Walewska, Małgorzata; Hlina, Johann; Baumgartner, Judith; Müller, Thomas; Marschner, Christoph","Basic Reactivity Pattern of a Cyclic Disilylated Germylene.","Organometallics","2016","35","16","2728","2737","10.1021/acs.organomet.6b00482","","","0.71073","MoKα","","0.0508","0.0417","","","0.1024","0.1063","","","","","","1.035","","","","has coordinates","237850","2020-10-21","18:00:00",""
"4088838","18.247","0.004","18.899","0.004","23.171","0.005","90","","90","","90","","7991","3","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C29 H58 Ge O Si8 -","- C29 H58 Ge O Si8 -","- C232 H464 Ge8 O8 Si64 -","8","1","","Walewska, Małgorzata; Hlina, Johann; Baumgartner, Judith; Müller, Thomas; Marschner, Christoph","Basic Reactivity Pattern of a Cyclic Disilylated Germylene.","Organometallics","2016","35","16","2728","2737","10.1021/acs.organomet.6b00482","","","0.71073","MoKα","","0.047","0.0372","","","0.0849","0.0885","","","","","","1.09","","","","has coordinates","237850","2020-10-21","18:00:00",""
"4088839","16.264","0.006","9.2473","0.0018","22.334","0.004","90","","94.35","0.04","90","","3349.3","1.5","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C16 H48 Cl2 Ge Si8 -","- C16 H48 Cl2 Ge Si8 -","- C64 H192 Cl8 Ge4 Si32 -","4","0.5","","Walewska, Małgorzata; Hlina, Johann; Baumgartner, Judith; Müller, Thomas; Marschner, Christoph","Basic Reactivity Pattern of a Cyclic Disilylated Germylene.","Organometallics","2016","35","16","2728","2737","10.1021/acs.organomet.6b00482","","","0.71073","MoKα","","0.0465","0.0398","","","0.0999","0.1029","","","","","","1.07","","","","has coordinates","237850","2020-10-21","18:00:00",""
"4088840","11.649","0.002","19.428","0.004","19.098","0.004","90","","102.65","0.03","90","","4217.3","1.5","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C22 H63 Cl2 Ge2 P Si8 -","- C22 H63 Cl2 Ge2 P Si8 -","- C88 H252 Cl8 Ge8 P4 Si32 -","4","1","","Walewska, Małgorzata; Hlina, Johann; Baumgartner, Judith; Müller, Thomas; Marschner, Christoph","Basic Reactivity Pattern of a Cyclic Disilylated Germylene.","Organometallics","2016","35","16","2728","2737","10.1021/acs.organomet.6b00482","","","0.71073","MoKα","","0.0797","0.067","","","0.1286","0.133","","","","","","1.267","","","","has coordinates,has disorder","237850","2020-10-21","18:00:00",""
"4088841","9.7934","0.0004","23.4534","0.0008","26.9825","0.001","90","","90","","90","","6197.6","0.4","296","2","296.15","","","","","","","","","7","P c 21 b","P -2bc -2c","29","","","","- C62 H89 B2 F8 N3 Ni P4 -","- C62 H89 B2 F8 N3 Ni P4 -","- C248 H356 B8 F32 N12 Ni4 P16 -","4","1","","Stolley, Ryan M.; Darmon, Jonathan M.; Das, Parthapratim; Helm, Monte L.","Nickel Bis-Diphosphine Complexes: Controlling the Binding and Heterolysis of H2","Organometallics","2016","35","17","2965","","10.1021/acs.organomet.6b00486","","","0.71073","MoKα","","0.0574","0.0484","","","0.1151","0.1201","","","","","","1.052","","","","has coordinates","237853","2020-10-21","18:00:00",""
"4088842","13.1394","0.0006","19.3197","0.001","22.4236","0.0012","89.347","0.002","81.996","0.002","88.173","0.002","5633.8","0.5","100","","100","","","","","","","","","8","P -1","-P 1","2","","[Ni(8P2N)(dppe)](BF4)2","","- C57 H69 B2 Cl2 F8 N Ni P4 -","- C57 H69 B2 Cl2 F8 N Ni P4 -","- C228 H276 B8 Cl8 F32 N4 Ni4 P16 -","4","2","","Stolley, Ryan M.; Darmon, Jonathan M.; Das, Parthapratim; Helm, Monte L.","Nickel Bis-Diphosphine Complexes: Controlling the Binding and Heterolysis of H2","Organometallics","2016","35","17","2965","","10.1021/acs.organomet.6b00486","","","0.71073","MoKα","","0.0531","0.0359","","","0.0813","0.0887","","","","","","1.024","","","","has coordinates,has disorder","237853","2020-10-21","18:00:00",""
"4088843","10.0172","0.0003","13.846","0.0004","15.3156","0.0005","90","","90","","90","","2124.25","0.11","100","","100","","","","","","","","","8","P 21 2 21","P 2ac 2ac","18","","","","- C35 H68 B2 Cl2 F8 N2 Ni P4 -","- C35 H68 B2 Cl2 F8 N2 Ni P4 -","- C70 H136 B4 Cl4 F16 N4 Ni2 P8 -","2","0.5","","Stolley, Ryan M.; Darmon, Jonathan M.; Das, Parthapratim; Helm, Monte L.","Nickel Bis-Diphosphine Complexes: Controlling the Binding and Heterolysis of H2","Organometallics","2016","35","17","2965","","10.1021/acs.organomet.6b00486","","","0.71073","MoKα","","0.0602","0.0556","","","0.15","0.1552","","","","","","1.03","","","","has coordinates","237853","2020-10-21","18:00:00",""
"4088844","17.4219","0.0006","18.2095","0.0006","27.6971","0.0009","90","","90","","90","","8786.7","0.5","100","","100","","","","","","","","","7","P b c a","-P 2ac 2ab","61","","[Ni(8PCy2NH)(dppe)](BF4)2","","- C43 H57 B2 F8 N Ni P4 -","- C43 H57 B2 F8 N Ni P4 -","- C344 H456 B16 F64 N8 Ni8 P32 -","8","1","","Stolley, Ryan M.; Darmon, Jonathan M.; Das, Parthapratim; Helm, Monte L.","Nickel Bis-Diphosphine Complexes: Controlling the Binding and Heterolysis of H2","Organometallics","2016","35","17","2965","","10.1021/acs.organomet.6b00486","","","0.71073","MoKα","","0.0452","0.0325","","","0.0786","0.0822","","","","","","1.054","","","","has coordinates,has disorder","237853","2020-10-21","18:00:00",""
"4088845","10.6309","0.0008","12.6929","0.0009","20.0253","0.0014","99.581","0.003","91.152","0.003","100.361","0.003","2617.5","0.3","100","","100","","","","","","","","","8","P -1","-P 1","2","","","","- C45 H63 B2 Cl4 F8 N Ni P4 -","- C45 H63 B2 Cl4 F8 N Ni P4 -","- C90 H126 B4 Cl8 F16 N2 Ni2 P8 -","2","1","","Stolley, Ryan M.; Darmon, Jonathan M.; Das, Parthapratim; Helm, Monte L.","Nickel Bis-Diphosphine Complexes: Controlling the Binding and Heterolysis of H2","Organometallics","2016","35","17","2965","","10.1021/acs.organomet.6b00486","","","0.71073","MoKα","","0.0717","0.0537","","","0.1402","0.1497","","","","","","1.036","","","","has coordinates,has disorder","237853","2020-10-21","18:00:00",""
"4088846","5.6899","0.0003","25.685","0.0012","9.5148","0.0004","90","","107.034","0.002","90","","1329.54","0.11","100","","100","","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","meso-1-benzhydryl-3,7-dicyclohexyl-1,3,7-azadiphosphocane","","- C30 H43 N P2 -","- C30 H43 N P2 -","- C60 H86 N2 P4 -","2","0.5","","Stolley, Ryan M.; Darmon, Jonathan M.; Das, Parthapratim; Helm, Monte L.","Nickel Bis-Diphosphine Complexes: Controlling the Binding and Heterolysis of H2","Organometallics","2016","35","17","2965","","10.1021/acs.organomet.6b00486","","","0.71073","MoKα","","0.044","0.0391","","","","0.1073","","","","","","1.0558","","","","has coordinates","237853","2020-10-21","18:00:00",""
"4088847","26.415","0.003","10.9653","0.001","24.385","0.002","90","","104.646","0.003","90","","6833.6","1.1","100","","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C30.5 H44 Cl3 N Ni P2 -","- C30.5 H44 Cl3 N Ni P2 -","- C244 H352 Cl24 N8 Ni8 P16 -","8","2","","Stolley, Ryan M.; Darmon, Jonathan M.; Das, Parthapratim; Helm, Monte L.","Nickel Bis-Diphosphine Complexes: Controlling the Binding and Heterolysis of H2","Organometallics","2016","35","17","2965","","10.1021/acs.organomet.6b00486","","","0.71073","MoKα","","0.0458","0.0356","","","0.0886","0.0925","","","","","","1.068","","","","has coordinates","254835","2020-10-21","18:00:00",""
"4088848","11.7606","0.0006","12.1587","0.0006","12.8938","0.0007","85","0.003","88.881","0.003","87.642","0.003","1834.92","0.16","240","2","240","2","","","","","","","","8","P -1","-P 1","2","","","","- C39 H28 Cl4 Cu F3 N2 O3 S -","- C39 H28 Cl4 Cu F3 N2 O3 S -","- C78 H56 Cl8 Cu2 F6 N4 O6 S2 -","2","1","","Klimovica, Kristine; Kirschbaum, Kristin; Daugulis, Olafs","Synthesis and Properties of ""Sandwich"" Diimine-Coinage Metal Ethylene Complexes.","Organometallics","2016","35","17","2938","2943","10.1021/acs.organomet.6b00487","","","1.54184","CuKα","","0.0742","0.0497","","","0.1274","0.1643","","","","","","1.191","","","","has coordinates","237854","2020-10-21","18:00:00",""
"4088849","11.982","0.004","23.133","0.008","17.482","0.009","90","","94.631","0.004","90","","4830","3","123","2","123","2","","","","","","","","7","I 1 2/m 1","-I 2y","12","","","","- C47 H46 Ag B Cl8 F4 N2 -","- C47 H46 Ag B Cl8 F4 N2 -","- C188 H184 Ag4 B4 Cl32 F16 N8 -","4","0.5","","Klimovica, Kristine; Kirschbaum, Kristin; Daugulis, Olafs","Synthesis and Properties of ""Sandwich"" Diimine-Coinage Metal Ethylene Complexes.","Organometallics","2016","35","17","2938","2943","10.1021/acs.organomet.6b00487","","","0.71073","MoKα","","0.0613","0.0489","","","0.1243","0.1344","","","","","","1.046","","","","has coordinates,has disorder","237854","2020-10-21","18:00:00",""
"4088850","17.6898","0.001","12.1398","0.0007","17.9911","0.001","90","","100.331","0.0008","90","","3801","0.4","140","2","140","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C38 H28 Au Cl4 F6 N2 Sb -","- C38 H28 Au Cl4 F6 N2 Sb -","- C152 H112 Au4 Cl16 F24 N8 Sb4 -","4","1","","Klimovica, Kristine; Kirschbaum, Kristin; Daugulis, Olafs","Synthesis and Properties of ""Sandwich"" Diimine-Coinage Metal Ethylene Complexes.","Organometallics","2016","35","17","2938","2943","10.1021/acs.organomet.6b00487","","","0.71073","MoKα","","0.0734","0.046","","","0.1274","0.1424","","","","","","1.048","","","","has coordinates","237854","2020-10-21","18:00:00",""
"4088851","9.4863","0.0004","14.4891","0.0005","16.7008","0.0006","66.9469","0.0017","88.931","0.002","82.2159","0.0019","2091.23","0.14","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C53 H41 Cl2 N4 Rh S -","- C53 H40 Cl2 N4 Rh S -","- C106 H80 Cl4 N8 Rh2 S2 -","2","1","","Yang, Wu; Zhang, Haojie; Li, Liuxiao; Tam, Chun Meng; Feng, Shiyu; Wong, Ka Lai; Lai, Wai Yan; Ng, Sheung Hei; Chen, Chen; Chan, Kin Shing","Base-Promoted, Aerobic, and Regioselective Carbon‒Hydrogen Bond Activation of Thiophene with Group 9 Metalloporphyrins","Organometallics","2016","35","19","3295","","10.1021/acs.organomet.6b00490","","","0.71073","MoKα","","0.046","0.0361","","","0.0909","0.0961","","","","","","1.043","","","","has coordinates","237856","2020-10-21","18:00:00",""
"4088852","15.8145","0.0009","19.413","0.008","7.594","0.01","90","","90","","90","","2331","3","100","2","100","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C25 H24 N2 O4 Os -","- C25 H24 N2 O4 Os -","- C100 H96 N8 O16 Os4 -","4","0.5","","Bissert, Robin; Braunschweig, Holger; Dewhurst, Rian D.; Schneider, Christoph","Metal-Only Lewis Pairs Based on Zerovalent Osmium","Organometallics","2016","35","15","2567","","10.1021/acs.organomet.6b00495","","","0.71073","MoKα","","0.0156","0.0138","","","0.032","0.0329","","","","","","1.111","","","","has coordinates","237858","2020-10-21","18:00:00",""
"4088853","15.4461","0.0018","12.09","0.003","16.857","0.006","90","","95.66","0.02","90","","3132.6","1.4","121","2","121","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- C27 H33 N2 O3 Os P -","- C27 H33 N2 O3 Os P -","- C108 H132 N8 O12 Os4 P4 -","4","0.5","","Bissert, Robin; Braunschweig, Holger; Dewhurst, Rian D.; Schneider, Christoph","Metal-Only Lewis Pairs Based on Zerovalent Osmium","Organometallics","2016","35","15","2567","","10.1021/acs.organomet.6b00495","","","0.71073","MoKα","","0.0195","0.0174","","","0.0546","0.058","","","","","","1.308","","","","has coordinates","237858","2020-10-21","18:00:00",""
"4088854","12.502","0.0005","8.8053","0.0003","13.5439","0.0005","90","","90","","90","","1490.96","0.1","100","2","100","2","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C7 H9 Cl3 Ga O4 Os P -","- C7 H9 Cl3 Ga O4 Os P -","- C28 H36 Cl12 Ga4 O16 Os4 P4 -","4","1","","Bissert, Robin; Braunschweig, Holger; Dewhurst, Rian D.; Schneider, Christoph","Metal-Only Lewis Pairs Based on Zerovalent Osmium","Organometallics","2016","35","15","2567","","10.1021/acs.organomet.6b00495","","","0.71073","MoKα","","0.0211","0.0207","","","0.0556","0.0564","","","","","","1.454","","","","has coordinates","237858","2020-10-21","18:00:00",""
"4088855","11.011","0.009","22.861","0.013","13.858","0.012","90","","107.62","0.03","90","","3325","4","100","2","100","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C31 H29 Cl3 F Ga N2 O4 Os -","- C31 H29 Cl3 F Ga N2 O4 Os -","- C124 H116 Cl12 F4 Ga4 N8 O16 Os4 -","4","1","","Bissert, Robin; Braunschweig, Holger; Dewhurst, Rian D.; Schneider, Christoph","Metal-Only Lewis Pairs Based on Zerovalent Osmium","Organometallics","2016","35","15","2567","","10.1021/acs.organomet.6b00495","","","0.71073","MoKα","","0.0497","0.0344","","","0.0782","0.0884","","","","","","1.076","","","","has coordinates","237858","2020-10-21","18:00:00",""
"4088856","8.983","0.0012","12.9064","0.0019","19.16","0.003","90","","97.911","0.004","90","","2200.2","0.6","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C9 H18 Cl3 Ga O3 Os P2 -","- C9 H18 Cl3 Ga O3 Os P2 -","- C36 H72 Cl12 Ga4 O12 Os4 P8 -","4","1","","Bissert, Robin; Braunschweig, Holger; Dewhurst, Rian D.; Schneider, Christoph","Metal-Only Lewis Pairs Based on Zerovalent Osmium","Organometallics","2016","35","15","2567","","10.1021/acs.organomet.6b00495","","","0.71073","MoKα","","0.0188","0.0171","","","0.0445","0.046","","","","","","1.043","","","","has coordinates","237858","2020-10-21","18:00:00",""
"4088857","9.926","0.005","17.865","0.003","22.965","0.005","90","","101.65","0.03","90","","3988","2","100","2","100","2","","","","","","","","9","P 1 21/c 1","-P 2ybc","14","","","","- C39 H43 Cl3 F2 Ga N2 O3 Os P -","- C39 H43 Cl3 F2 Ga N2 O3 Os P -","- C156 H172 Cl12 F8 Ga4 N8 O12 Os4 P4 -","4","1","","Bissert, Robin; Braunschweig, Holger; Dewhurst, Rian D.; Schneider, Christoph","Metal-Only Lewis Pairs Based on Zerovalent Osmium","Organometallics","2016","35","15","2567","","10.1021/acs.organomet.6b00495","","","0.71073","MoKα","","0.0341","0.0277","","","0.0638","0.0662","","","","","","1.046","","","","has coordinates,has disorder","237858","2020-10-21","18:00:00",""
"4088858","16.844","0.005","16.981","0.003","21.462","0.006","90","","102.34","0.02","90","","5997","3","100","2","100","2","","","","","","","","9","P 1 21/c 1","-P 2ybc","14","","","","- C48 H53 Ag B Cl8 F O6 Os2 P4 -","- C48 H53 Ag B Cl8 F O6 Os2 P4 -","- C192 H212 Ag4 B4 Cl32 F4 O24 Os8 P16 -","4","1","","Bissert, Robin; Braunschweig, Holger; Dewhurst, Rian D.; Schneider, Christoph","Metal-Only Lewis Pairs Based on Zerovalent Osmium","Organometallics","2016","35","15","2567","","10.1021/acs.organomet.6b00495","","","0.71073","MoKα","","0.0322","0.0227","","","0.047","0.0503","","","","","","1.072","","","","has coordinates","237858","2020-10-21","18:00:00",""
"4088859","12.044","0.0005","9.0062","0.0004","16.9281","0.0007","90","","102.976","0.0017","90","","1789.31","0.13","230","2","230","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H22 B N5 O4 -","- C14 H22 B N5 O4 -","- C56 H88 B4 N20 O16 -","4","1","","Allen, Thomas H.; Geib, Steven J.; Curran, Dennis P.","Radical and Thermal Reactions of N-Heterocyclic Carbene Boranes with Diazo Compounds","Organometallics","2016","35","17","2975","","10.1021/acs.organomet.6b00497","","","1.54178","CuKα","","0.0485","0.0467","","","0.1721","0.1762","","","","","","2.305","","","","has coordinates,has disorder","237860","2020-10-21","18:00:00",""
"4088860","7.8797","0.0003","8.5109","0.0004","10.1918","0.0004","90.0104","0.0018","96.5593","0.0017","91.4265","0.0019","678.81","0.05","230","2","230","2","","","","","","","","5","P -1","-P 1","2","","","","- C11 H17 B N4 O4 -","- C11 H17 B N4 O4 -","- C22 H34 B2 N8 O8 -","2","1","","Allen, Thomas H.; Geib, Steven J.; Curran, Dennis P.","Radical and Thermal Reactions of N-Heterocyclic Carbene Boranes with Diazo Compounds","Organometallics","2016","35","17","2975","","10.1021/acs.organomet.6b00497","","","1.54178","CuKα","","0.0365","0.0338","","","0.1143","0.1179","","","","","","1.472","","","","has coordinates","237860","2020-10-21","18:00:00",""
"4088861","12.4966","0.0003","8.4594","0.0002","13.3671","0.0003","90","","110.504","0.002","90","","1323.56","0.06","230","2","230","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C11 H14 B Br N4 O -","- C11 H14 B Br N4 O -","- C44 H56 B4 Br4 N16 O4 -","4","1","","Allen, Thomas H.; Geib, Steven J.; Curran, Dennis P.","Radical and Thermal Reactions of N-Heterocyclic Carbene Boranes with Diazo Compounds","Organometallics","2016","35","17","2975","","10.1021/acs.organomet.6b00497","","","1.54178","CuKα","","0.0337","0.0322","","","0.0975","0.0989","","","","","","1.196","","","","has coordinates","237860","2020-10-21","18:00:00",""
"4088862","10.3926","0.0004","11.7904","0.0004","23.7767","0.0008","90","","99.43","0.004","90","","2874.06","0.18","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C29.4 H33.5 I1.1 N Sn2 -","- C29.4 H33.5 I1.1 N Sn2 -","- C117.6 H134 I4.4 N4 Sn8 -","4","1","","Alashkar, Nour; Dietz, Christina; Baba Haj, Samer; Hiller, Wolf; Jurkschat, Klaus","Unsymmetrical Bicentric Organotin Lewis Acids {Me2N(CH2)3}Ph(X)Sn(CH2)nSnPh2X (X = F, I; n = 1, 3): Syntheses and Structures","Organometallics","2016","35","16","2738","","10.1021/acs.organomet.6b00500","","","0.71073","MoKα","","0.0478","0.0291","","","0.0586","0.0614","","","","","","0.833","","","","has coordinates,has disorder","237862","2020-10-21","18:00:00",""
"4088863","9.9414","0.0004","18.3814","0.0009","29.2432","0.0011","90","","94.694","0.004","90","","5325.9","0.4","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C24 H29 I2 N Sn2 -","- C24 H29 I2 N Sn2 -","- C192 H232 I16 N8 Sn16 -","8","1","","Alashkar, Nour; Dietz, Christina; Baba Haj, Samer; Hiller, Wolf; Jurkschat, Klaus","Unsymmetrical Bicentric Organotin Lewis Acids {Me2N(CH2)3}Ph(X)Sn(CH2)nSnPh2X (X = F, I; n = 1, 3): Syntheses and Structures","Organometallics","2016","35","16","2738","","10.1021/acs.organomet.6b00500","","","0.71073","MoKα","","0.0552","0.0253","","","0.0347","0.0362","","","","","","0.802","","","","has coordinates","237862","2020-10-21","18:00:00",""
"4088864","12.5326","0.0006","11.0605","0.0005","16.8003","0.0008","90","","94.893","0.004","90","","2320.32","0.19","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C48 H58 F4 N2 Sn4 -","- C48 H58 F4 N2 Sn4 -","- C96 H116 F8 N4 Sn8 -","2","0.5","","Alashkar, Nour; Dietz, Christina; Baba Haj, Samer; Hiller, Wolf; Jurkschat, Klaus","Unsymmetrical Bicentric Organotin Lewis Acids {Me2N(CH2)3}Ph(X)Sn(CH2)nSnPh2X (X = F, I; n = 1, 3): Syntheses and Structures","Organometallics","2016","35","16","2738","","10.1021/acs.organomet.6b00500","","","0.71073","MoKα","","0.0364","0.0236","","","0.0494","0.0505","","","","","","0.904","","","","has coordinates","237862","2020-10-21","18:00:00",""
"4088865","16.8757","0.0009","7.9337","0.0004","18.9274","0.0013","90","","95.777","0.006","90","","2521.3","0.3","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H33 F2 N Sn2 -","- C26 H33 F2 N Sn2 -","- C104 H132 F8 N4 Sn8 -","4","1","","Alashkar, Nour; Dietz, Christina; Baba Haj, Samer; Hiller, Wolf; Jurkschat, Klaus","Unsymmetrical Bicentric Organotin Lewis Acids {Me2N(CH2)3}Ph(X)Sn(CH2)nSnPh2X (X = F, I; n = 1, 3): Syntheses and Structures","Organometallics","2016","35","16","2738","","10.1021/acs.organomet.6b00500","","","0.71073","MoKα","","0.0678","0.0318","","","0.0374","0.039","","","","","","0.803","","","","has coordinates","237862","2020-10-21","18:00:00",""
"4088866","12.2142","0.001","28.133","0.002","28.641","0.003","90","","100.067","0.004","90","","9690.2","1.5","100","","100","","","","","","","","see text","8","P 1 21/c 1","-P 2ybc","14","","","","- C78 H92 Cl14 F12 N16 O0.36 P2 Ru2 -","- C78 H92 Cl14 F12 N16 O0.36 P2 Ru2 -","- C312 H368 Cl56 F48 N64 O1.44 P8 Ru8 -","4","1","","Hollering, Manuela; Albrecht, Martin; Kühn, Fritz E.","Bonding and Catalytic Application of Ruthenium N-Heterocyclic Carbene Complexes Featuring Triazole, Triazolylidene, and Imidazolylidene Ligands","Organometallics","2016","35","17","2980","","10.1021/acs.organomet.6b00504","","x-ray","0.71073","MoKα","","0.0596","0.0427","","","0.1055","0.1149","","","","","","1.05","","","","has coordinates,has disorder","237864","2020-10-21","18:00:00",""
"4088867","11.995","0.011","13.749","0.013","16.487","0.014","102.55","0.04","92.32","0.04","97.57","0.04","2624","4","100","","100","","","","","","","","see text","8","P -1","-P 1","2","","","","- C40 H45 Cl3 F6 N8 O6 Ru S2 -","- C40 H45 Cl3 F6 N8 O6 Ru S2 -","- C80 H90 Cl6 F12 N16 O12 Ru2 S4 -","2","1","","Hollering, Manuela; Albrecht, Martin; Kühn, Fritz E.","Bonding and Catalytic Application of Ruthenium N-Heterocyclic Carbene Complexes Featuring Triazole, Triazolylidene, and Imidazolylidene Ligands","Organometallics","2016","35","17","2980","","10.1021/acs.organomet.6b00504","","x-ray","0.71073","MoKα","","0.0744","0.0517","","","0.127","0.1394","","","","","","1.03","","","","has coordinates,has disorder","237864","2020-10-21","18:00:00",""
"4088868","11.5187","0.0015","11.8281","0.0014","18.265","0.002","90","","92.717","0.007","90","","2485.7","0.5","100","","100","","","","","","","","see text","7","P 1 21 1","P 2yb","4","","","","- C41 H49 F6 N13 O6 Ru S2 -","- C41 H49 F6 N13 O6 Ru S2 -","- C82 H98 F12 N26 O12 Ru2 S4 -","2","1","","Hollering, Manuela; Albrecht, Martin; Kühn, Fritz E.","Bonding and Catalytic Application of Ruthenium N-Heterocyclic Carbene Complexes Featuring Triazole, Triazolylidene, and Imidazolylidene Ligands","Organometallics","2016","35","17","2980","","10.1021/acs.organomet.6b00504","","x-ray","0.71073","MoKα","","0.0384","0.0336","","","0.0756","0.0778","","","","","","1.049","","","","has coordinates,has disorder","237864","2020-10-21","18:00:00",""
"4088869","12.5774","0.0005","25.8862","0.001","22.921","0.0009","90","","100.013","0.0007","90","","7349","0.5","90","2","90","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C82 H90 Cr2 O8 Sn2 -","- C82 H90 Cr2 O8 Sn2 -","- C328 H360 Cr8 O32 Sn8 -","4","1","","McCrea-Hendrick, Madison L.; Caputo, Christine A.; Linnera, Jarno; Vasko, Petra; Weinstein, Cory M.; Fettinger, James C.; Tuononen, Heikki M.; Power, Philip P.","Cleavage of Ge‒Ge and Sn‒Sn Triple Bonds in Heavy Group 14 Element Alkyne Analogues (EAriPr4)2 (E = Ge, Sn; AriPr4 = C6H3-2,6(C6H3-2,6-iPr2)2) by Reaction with Group 6 Carbonyls","Organometallics","2016","35","16","2759","","10.1021/acs.organomet.6b00519","","","0.71073","MoKα","","0.1481","0.0587","","","0.0871","0.1031","","","","","","0.917","","","","has coordinates","237866","2020-10-21","18:00:00",""
"4088870","14.1708","0.0007","11.6465","0.0006","20.0832","0.001","90","","106.82","0.0008","90","","3172.7","0.3","90","2","90","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C68 H74 O8 Sn2 W2 -","- C68 H74 O8 Sn2 W2 -","- C136 H148 O16 Sn4 W4 -","2","0.5","","McCrea-Hendrick, Madison L.; Caputo, Christine A.; Linnera, Jarno; Vasko, Petra; Weinstein, Cory M.; Fettinger, James C.; Tuononen, Heikki M.; Power, Philip P.","Cleavage of Ge‒Ge and Sn‒Sn Triple Bonds in Heavy Group 14 Element Alkyne Analogues (EAriPr4)2 (E = Ge, Sn; AriPr4 = C6H3-2,6(C6H3-2,6-iPr2)2) by Reaction with Group 6 Carbonyls","Organometallics","2016","35","16","2759","","10.1021/acs.organomet.6b00519","","","0.71073","MoKα","","0.0449","0.033","","","0.0643","0.0686","","","","","","1.034","","","","has coordinates","237866","2020-10-21","18:00:00",""
"4088871","24.6349","0.0009","19.7414","0.0007","15.9373","0.0007","90","","92.144","0.002","90","","7745.3","0.5","90","2","90","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C68 H74 Ge2 O8 W2 -","- C68 H74 Ge2 O8 W2 -","- C272 H296 Ge8 O32 W8 -","4","0.5","","McCrea-Hendrick, Madison L.; Caputo, Christine A.; Linnera, Jarno; Vasko, Petra; Weinstein, Cory M.; Fettinger, James C.; Tuononen, Heikki M.; Power, Philip P.","Cleavage of Ge‒Ge and Sn‒Sn Triple Bonds in Heavy Group 14 Element Alkyne Analogues (EAriPr4)2 (E = Ge, Sn; AriPr4 = C6H3-2,6(C6H3-2,6-iPr2)2) by Reaction with Group 6 Carbonyls","Organometallics","2016","35","16","2759","","10.1021/acs.organomet.6b00519","","","1.54178","CuKα","","0.0501","0.0423","","","0.1074","0.1152","","","","","","1.039","","","","has coordinates","237866","2020-10-21","18:00:00",""
"4088872","24.5267","0.0008","19.8446","0.0006","15.8771","0.0005","90","","91.654","0.002","90","","7724.5","0.4","90","2","90","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C68 H74 Ge2 Mo2 O8 -","- C68 H74 Ge2 Mo2 O8 -","- C272 H296 Ge8 Mo8 O32 -","4","0.5","","McCrea-Hendrick, Madison L.; Caputo, Christine A.; Linnera, Jarno; Vasko, Petra; Weinstein, Cory M.; Fettinger, James C.; Tuononen, Heikki M.; Power, Philip P.","Cleavage of Ge‒Ge and Sn‒Sn Triple Bonds in Heavy Group 14 Element Alkyne Analogues (EAriPr4)2 (E = Ge, Sn; AriPr4 = C6H3-2,6(C6H3-2,6-iPr2)2) by Reaction with Group 6 Carbonyls","Organometallics","2016","35","16","2759","","10.1021/acs.organomet.6b00519","","","1.54178","CuKα","","0.1042","0.0683","","","0.1731","0.2009","","","","","","1.016","","","","has coordinates,has disorder","237866","2020-10-21","18:00:00",""
"4088873","10.8069","0.0001","20.0758","0.0003","14.1671","0.0002","90","","99.674","0.001","90","","3029.95","0.07","90","2","90","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C68 H74 Cr2 Ge2 O8 -","- C68 H74 Cr2 Ge2 O8 -","- C136 H148 Cr4 Ge4 O16 -","2","0.5","","McCrea-Hendrick, Madison L.; Caputo, Christine A.; Linnera, Jarno; Vasko, Petra; Weinstein, Cory M.; Fettinger, James C.; Tuononen, Heikki M.; Power, Philip P.","Cleavage of Ge‒Ge and Sn‒Sn Triple Bonds in Heavy Group 14 Element Alkyne Analogues (EAriPr4)2 (E = Ge, Sn; AriPr4 = C6H3-2,6(C6H3-2,6-iPr2)2) by Reaction with Group 6 Carbonyls","Organometallics","2016","35","16","2759","","10.1021/acs.organomet.6b00519","","","1.54178","CuKα","","0.0494","0.0433","","","0.1199","0.1238","","","","","","1.07","","","","has coordinates","237866","2020-10-21","18:00:00",""
"4088874","14.2089","0.0003","11.6216","0.0002","20.064","0.0004","90","","107.127","0.0008","90","","3166.25","0.11","90","2","90","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C68 H74 Mo2 O8 Sn2 -","- C68 H74 Mo2 O8 Sn2 -","- C136 H148 Mo4 O16 Sn4 -","2","0.5","","McCrea-Hendrick, Madison L.; Caputo, Christine A.; Linnera, Jarno; Vasko, Petra; Weinstein, Cory M.; Fettinger, James C.; Tuononen, Heikki M.; Power, Philip P.","Cleavage of Ge‒Ge and Sn‒Sn Triple Bonds in Heavy Group 14 Element Alkyne Analogues (EAriPr4)2 (E = Ge, Sn; AriPr4 = C6H3-2,6(C6H3-2,6-iPr2)2) by Reaction with Group 6 Carbonyls","Organometallics","2016","35","16","2759","","10.1021/acs.organomet.6b00519","","","1.54178","CuKα","","0.025","0.024","","","0.0614","0.0622","","","","","","1.074","","","","has coordinates","237866","2020-10-21","18:00:00",""
"4088875","11.3332","0.0001","11.4658","0.0002","36.061","0.0004","90","","90","","90","","4685.92","0.11","150","","150","","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C37 H59 I4 La Li2 N2 O4 -","- C37 H59 I4 La Li2 N2 O4 -","- C148 H236 I16 La4 Li8 N8 O16 -","4","1","","Brunner, Tobias S.; Benndorf, Paul; Gamer, Michael T.; Knöfel, Nicolai; Gugau, Katharina; Roesky, Peter W.","Enantiopure Amidinate Complexes of the Rare-Earth Elements","Organometallics","2016","35","20","3474","","10.1021/acs.organomet.6b00523","","","0.71073","MoKα","","0.0552","0.0502","","","0.13","0.1397","","","","","","1.104","","","","has coordinates","237868","2020-10-21","18:00:00",""
"4088876","12.4537","0.0013","16.5826","0.0016","18.5953","0.0012","90","","90","","90","","3840.2","0.6","150","","150","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C42 H54 Cl N4 Sc -","- C42 H54 Cl N4 Sc -","- C168 H216 Cl4 N16 Sc4 -","4","1","","Brunner, Tobias S.; Benndorf, Paul; Gamer, Michael T.; Knöfel, Nicolai; Gugau, Katharina; Roesky, Peter W.","Enantiopure Amidinate Complexes of the Rare-Earth Elements","Organometallics","2016","35","20","3474","","10.1021/acs.organomet.6b00523","","","0.71073","MoKα","","0.1441","0.0593","","","0.0788","0.0978","","","","","","0.902","","","","has coordinates","237868","2020-10-21","18:00:00",""
"4088877","10.8692","0.0002","14.5825","0.0003","15.6131","0.0003","93.542","0.002","106.261","0.002","107.213","0.002","2240.87","0.09","150","","150","","","","","","","","","5","P 1","P 1","1","","","","- C98 H124 Cl2 N8 Y2 -","- C98 H124 Cl2 N8 Y2 -","- C98 H124 Cl2 N8 Y2 -","1","1","","Brunner, Tobias S.; Benndorf, Paul; Gamer, Michael T.; Knöfel, Nicolai; Gugau, Katharina; Roesky, Peter W.","Enantiopure Amidinate Complexes of the Rare-Earth Elements","Organometallics","2016","35","20","3474","","10.1021/acs.organomet.6b00523","","","0.71073","MoKα","","0.0267","0.0234","","","0.0564","0.0576","","","","","","1.019","","","","has coordinates,has disorder","237868","2020-10-21","18:00:00",""
"4088878","10.9693","0.0002","14.7087","0.0002","15.8593","0.0002","93.188","0.001","106.459","0.001","107.344","0.001","2314.79","0.06","205","","205","","","","","","","","","5","P 1","P 1","1","","","","- C98 H124 Cl2 N8 Nd2 -","- C98 H124 Cl2 N8 Nd2 -","- C98 H124 Cl2 N8 Nd2 -","1","1","","Brunner, Tobias S.; Benndorf, Paul; Gamer, Michael T.; Knöfel, Nicolai; Gugau, Katharina; Roesky, Peter W.","Enantiopure Amidinate Complexes of the Rare-Earth Elements","Organometallics","2016","35","20","3474","","10.1021/acs.organomet.6b00523","","","0.71073","MoKα","","0.0189","0.0181","","","0.0465","0.0467","","","","","","1.006","","","","has coordinates,has disorder","237868","2020-10-21","18:00:00",""
"4088879","10.9769","0.0002","14.6162","0.0002","15.5983","0.0003","93.334","0.001","106.58","0.001","107.37","0.001","2260.88","0.07","200","","200","","","","","","","","","5","P 1","P 1","1","","","","- C98 H124 Cl2 Lu2 N8 -","- C98 H124 Cl2 Lu2 N8 -","- C98 H124 Cl2 Lu2 N8 -","1","1","","Brunner, Tobias S.; Benndorf, Paul; Gamer, Michael T.; Knöfel, Nicolai; Gugau, Katharina; Roesky, Peter W.","Enantiopure Amidinate Complexes of the Rare-Earth Elements","Organometallics","2016","35","20","3474","","10.1021/acs.organomet.6b00523","","","0.71073","MoKα","","0.0249","0.0235","","","0.06","0.0607","","","","","","1.03","","","","has coordinates","237868","2020-10-21","18:00:00",""
"4088880","14.6919","0.0002","16.0293","0.0002","21.4446","0.0003","90","","90","","90","","5050.22","0.12","200","","200","","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C50 H70 Cl2 Li N4 O2 Sm -","- C50 H70 Cl2 Li N4 O2 Sm -","- C200 H280 Cl8 Li4 N16 O8 Sm4 -","4","1","","Brunner, Tobias S.; Benndorf, Paul; Gamer, Michael T.; Knöfel, Nicolai; Gugau, Katharina; Roesky, Peter W.","Enantiopure Amidinate Complexes of the Rare-Earth Elements","Organometallics","2016","35","20","3474","","10.1021/acs.organomet.6b00523","","","0.71073","MoKα","","0.0214","0.0187","","","0.0416","0.0422","","","","","","0.974","","","","has coordinates,has disorder","237868","2020-10-21","18:00:00",""
"4088881","13.3096","0.0006","13.3096","0.0006","29.391","0.0015","90","","90","","120","","4508.9","0.4","150","","150","","","","","","","","","4","P 32","P 32","145","","","","- C63 H81 N6 Y -","- C63 H81 N6 Y -","- C189 H243 N18 Y3 -","3","1","","Brunner, Tobias S.; Benndorf, Paul; Gamer, Michael T.; Knöfel, Nicolai; Gugau, Katharina; Roesky, Peter W.","Enantiopure Amidinate Complexes of the Rare-Earth Elements","Organometallics","2016","35","20","3474","","10.1021/acs.organomet.6b00523","","","0.71073","MoKα","","0.0807","0.0417","","","0.0806","0.089","","","","","","0.832","","","","has coordinates","237868","2020-10-21","18:00:00",""
"4088882","16.5999","0.0004","11.5487","0.0002","28.9601","0.0007","90","","94.457","0.002","90","","5535.1","0.2","100","","100","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C55 H88 N5 Si2 Y -","- C55 H88 N5 Si2 Y -","- C220 H352 N20 Si8 Y4 -","4","2","","Brunner, Tobias S.; Benndorf, Paul; Gamer, Michael T.; Knöfel, Nicolai; Gugau, Katharina; Roesky, Peter W.","Enantiopure Amidinate Complexes of the Rare-Earth Elements","Organometallics","2016","35","20","3474","","10.1021/acs.organomet.6b00523","","","0.71073","MoKα","","0.088","0.052","","","0.0918","0.1037","","","","","","0.935","","","","has coordinates","237868","2020-10-21","18:00:00",""
"4088883","21.7416","0.0007","11.489","0.0002","43.5432","0.0014","90","","104.408","0.002","90","","10534.5","0.5","200","","200","","","","","","","","","5","I 1 2 1","I 2y","5","","","","- C51.5 H79 Lu N4 Si2 -","- C51.5 H79 Lu N4 Si2 -","- C412 H632 Lu8 N32 Si16 -","8","2","","Brunner, Tobias S.; Benndorf, Paul; Gamer, Michael T.; Knöfel, Nicolai; Gugau, Katharina; Roesky, Peter W.","Enantiopure Amidinate Complexes of the Rare-Earth Elements","Organometallics","2016","35","20","3474","","10.1021/acs.organomet.6b00523","","","0.71073","MoKα","","0.0692","0.0356","","","0.0597","0.0673","","","","","","0.874","","","","has coordinates,has disorder","237868","2020-10-21","18:00:00",""
"4088884","12.7412","0.0005","24.4396","0.0015","9.3499","0.0004","90","","90","","90","","2911.5","0.2","110","","110","","","","","","","","","6","P 21 21 2","P 2 2ab","18","","","","- C29 H43 Cl Li2 N2 O2 -","- C29 H43 Cl Li2 N2 O2 -","- C116 H172 Cl4 Li8 N8 O8 -","4","1","","Brunner, Tobias S.; Benndorf, Paul; Gamer, Michael T.; Knöfel, Nicolai; Gugau, Katharina; Roesky, Peter W.","Enantiopure Amidinate Complexes of the Rare-Earth Elements","Organometallics","2016","35","20","3474","","10.1021/acs.organomet.6b00523","","","0.71073","MoKα","","0.1488","0.1247","","","0.2987","0.3127","","","","","","1.082","","","","has coordinates","237868","2020-10-21","18:00:00",""
"4088885","8.4967","0.0005","17.3514","0.0007","16.4202","0.0011","90","","102.371","0.005","90","","2364.6","0.2","150","","150","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C24.5 H33 Cl N2 -","- C24.5 H33 Cl N2 -","- C98 H132 Cl4 N8 -","4","2","","Brunner, Tobias S.; Benndorf, Paul; Gamer, Michael T.; Knöfel, Nicolai; Gugau, Katharina; Roesky, Peter W.","Enantiopure Amidinate Complexes of the Rare-Earth Elements","Organometallics","2016","35","20","3474","","10.1021/acs.organomet.6b00523","","","0.71073","MoKα","","0.0647","0.0485","","","0.0974","0.1031","","","","","","1.015","","","","has coordinates","253039","2020-10-21","18:00:00",""
"4088886","22.2032","0.0007","8.7859","0.0002","26.7209","0.0007","90","","94.001","0.003","90","","5199.9","0.2","293","2","293","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C28 H23 Fe I N O4 P -","- C28 H23 Fe I N O4 P -","- C224 H184 Fe8 I8 N8 O32 P8 -","8","1","","Hu, Bowen; Chen, Xiangyang; Gong, Dawei; Cui, Wen; Yang, Xinzheng; Chen, Dafa","Reversible CO Dissociation of Tricarbonyl Iodide [Fe]-Hydrogenase Models Ligating Acylmethylpyridyl Ligands","Organometallics","2016","35","17","2993","","10.1021/acs.organomet.6b00524","","","0.71073","MoKα","","0.0602","0.0396","","","0.0682","0.0769","","","","","","1.056","","","","has coordinates","237869","2020-10-21","18:00:00",""
"4088887","6.7389","0.0003","10.7415","0.0006","14.8797","0.0007","80.161","0.003","78.902","0.003","82.421","0.003","1035.92","0.09","140","2","140","2","","","","","","","","4","P -1","-P 1","2","","","","- C26 H21 Br N2 -","- C26 H21 Br N2 -","- C52 H42 Br2 N4 -","2","1","","Thenarukandiyil, Ranjeesh; Thrikkykkal, Hridya; Choudhury, Joyanta","Rhodium(III)-Catalyzed Nonaromatic sp2 C‒H Activation/Annulation Using NHC as a Directing and Functionalizable Group","Organometallics","2016","35","17","3007","","10.1021/acs.organomet.6b00530","","","0.71073","MoKα","","0.1169","0.0974","","","0.322","0.3487","","","","","","1.429","","","","has coordinates","237870","2020-10-21","18:00:00",""
"4088888","8.6492","0.0001","14.5632","0.0002","14.5731","0.0002","63.439","0.001","73.677","0.001","88.306","0.001","1565.81","0.04","140","2","140","2","","","","","","","","5","P -1","-P 1","2","","","","- C39 H28 Cl3 N3 O -","- C39 H28 Cl3 N3 O -","- C78 H56 Cl6 N6 O2 -","2","1","","Thenarukandiyil, Ranjeesh; Thrikkykkal, Hridya; Choudhury, Joyanta","Rhodium(III)-Catalyzed Nonaromatic sp2 C‒H Activation/Annulation Using NHC as a Directing and Functionalizable Group","Organometallics","2016","35","17","3007","","10.1021/acs.organomet.6b00530","","","0.71073","MoKα","","0.0586","0.0505","","","0.1437","0.1504","","","","","","1.047","","","","has coordinates","237870","2020-10-21","18:00:00",""
"4088889","11.6558","0.0008","10.0459","0.0008","17.6443","0.0014","90","","91.671","0.003","90","","2065.1","0.3","130","2","130","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C22 H26 I N2 Rh -","- C22 H26 I N2 Rh -","- C88 H104 I4 N8 Rh4 -","4","1","","Thenarukandiyil, Ranjeesh; Thrikkykkal, Hridya; Choudhury, Joyanta","Rhodium(III)-Catalyzed Nonaromatic sp2 C‒H Activation/Annulation Using NHC as a Directing and Functionalizable Group","Organometallics","2016","35","17","3007","","10.1021/acs.organomet.6b00530","","","0.71073","MoKα","","0.0475","0.0344","","","0.0955","0.1121","","","","","","1.171","","","","has coordinates","237870","2020-10-21","18:00:00",""
"4088890","6.7065","0.0004","24.786","0.001","12.0178","0.0006","90","","100.237","0.005","90","","1965.89","0.18","100.7","0.9","100.7","0.9","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C18 H12 Cl N4 O4 Re -","- C18 H12 Cl N4 O4 Re -","- C72 H48 Cl4 N16 O16 Re4 -","4","1","","Coe, Benjamin J.; Foxon, Simon P.; Pilkington, Rachel A.; Sánchez, Sergio; Whittaker, Daniel; Clays, Koen; Van Steerteghem, Nick; Brunschwig, Bruce S.","Rhenium(I) Tricarbonyl Complexes with Peripheral N-Coordination Sites: A Foundation for Heterotrimetallic Nonlinear Optical Chromophores","Organometallics","2016","35","17","3014","","10.1021/acs.organomet.6b00536","","","0.71073","MoKα","","0.0753","0.0544","","","0.1145","0.1249","","","","","","1.099","","","","has coordinates","237871","2020-10-21","18:00:00",""
"4088891","9.8664","0.0005","10.8251","0.0006","13.6341","0.0007","70.788","0.005","80.269","0.004","76.658","0.004","1331.09","0.13","100","","100","","","","","","","","","7","P -1","-P 1","2","","","","- C25 H17 F3 N5 O6 Re S -","- C25 H17 F3 N5 O6 Re S -","- C50 H34 F6 N10 O12 Re2 S2 -","2","1","","Coe, Benjamin J.; Foxon, Simon P.; Pilkington, Rachel A.; Sánchez, Sergio; Whittaker, Daniel; Clays, Koen; Van Steerteghem, Nick; Brunschwig, Bruce S.","Rhenium(I) Tricarbonyl Complexes with Peripheral N-Coordination Sites: A Foundation for Heterotrimetallic Nonlinear Optical Chromophores","Organometallics","2016","35","17","3014","","10.1021/acs.organomet.6b00536","","","0.71073","MoKα","","0.0441","0.0381","","","0.0808","0.0865","","","","","","1.08","","","","has coordinates","237871","2020-10-21","18:00:00",""
"4088892","20.9198","0.0011","14.1928","0.0006","18.5858","0.0008","90","","90","","90","","5518.3","0.4","150.04","0.13","150.04","0.13","","","","","","","","7","P b c n","-P 2n 2ab","60","","","","- C24.5 H15 F3 N5 O6 Re S -","- C24.5 H15 F3 N5 O6 Re S -","- C196 H120 F24 N40 O48 Re8 S8 -","8","1","","Coe, Benjamin J.; Foxon, Simon P.; Pilkington, Rachel A.; Sánchez, Sergio; Whittaker, Daniel; Clays, Koen; Van Steerteghem, Nick; Brunschwig, Bruce S.","Rhenium(I) Tricarbonyl Complexes with Peripheral N-Coordination Sites: A Foundation for Heterotrimetallic Nonlinear Optical Chromophores","Organometallics","2016","35","17","3014","","10.1021/acs.organomet.6b00536","","","0.71073","MoKα","","0.1122","0.0526","","","0.0747","0.1011","","","","","","1.104","","","","has coordinates,has disorder","237871","2020-10-21","18:00:00",""
"4088893","10.6015","0.001","12.0951","0.0009","12.427","0.0008","89.784","0.006","66.738","0.008","67.606","0.008","1333.2","0.2","150.01","0.1","150.01","0.1","","","","","","","","7","P -1","-P 1","2","","","","- C23.5 H13 F3 N6 O6.5 Re S -","- C23.5 H10 F3 N6 O6.5 Re S -","- C47 H20 F6 N12 O13 Re2 S2 -","2","1","","Coe, Benjamin J.; Foxon, Simon P.; Pilkington, Rachel A.; Sánchez, Sergio; Whittaker, Daniel; Clays, Koen; Van Steerteghem, Nick; Brunschwig, Bruce S.","Rhenium(I) Tricarbonyl Complexes with Peripheral N-Coordination Sites: A Foundation for Heterotrimetallic Nonlinear Optical Chromophores","Organometallics","2016","35","17","3014","","10.1021/acs.organomet.6b00536","","","0.71073","MoKα","","0.0639","0.0472","","","0.0762","0.0853","","","","","","1.048","","","","has coordinates","237871","2020-10-21","18:00:00",""
"4088894","7.051","0.0008","23.671","0.003","15.0206","0.0015","90","","92.193","0.009","90","","2505.2","0.5","150.04","0.18","150.04","0.18","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C31 H18 Cl N4 O3 Re -","- C31 H18 Cl N4 O3 Re -","- C124 H72 Cl4 N16 O12 Re4 -","4","1","","Coe, Benjamin J.; Foxon, Simon P.; Pilkington, Rachel A.; Sánchez, Sergio; Whittaker, Daniel; Clays, Koen; Van Steerteghem, Nick; Brunschwig, Bruce S.","Rhenium(I) Tricarbonyl Complexes with Peripheral N-Coordination Sites: A Foundation for Heterotrimetallic Nonlinear Optical Chromophores","Organometallics","2016","35","17","3014","","10.1021/acs.organomet.6b00536","","x-ray","0.71073","MoKα","","0.1554","0.0751","","","0.0975","0.124","","","","","","0.948","","","","has coordinates,has disorder","237871","2020-10-21","18:00:00",""
"4088895","14.9062","0.0005","15.4034","0.0004","16.6113","0.0005","90","","102.651","0.003","90","","3721.5","0.2","150.04","0.18","150.04","0.18","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C32 H20 F3 N6 O6 Re S -","- C32 H20 F3 N6 O6 Re S -","- C128 H80 F12 N24 O24 Re4 S4 -","4","1","","Coe, Benjamin J.; Foxon, Simon P.; Pilkington, Rachel A.; Sánchez, Sergio; Whittaker, Daniel; Clays, Koen; Van Steerteghem, Nick; Brunschwig, Bruce S.","Rhenium(I) Tricarbonyl Complexes with Peripheral N-Coordination Sites: A Foundation for Heterotrimetallic Nonlinear Optical Chromophores","Organometallics","2016","35","17","3014","","10.1021/acs.organomet.6b00536","","","0.71073","MoKα","","0.0844","0.0585","","","0.1485","0.1667","","","","","","1.07","","","","has coordinates","237871","2020-10-21","18:00:00",""
"4088896","13.1609","0.0007","14.6512","0.0008","19.2049","0.0012","109.32","0.002","107.385","0.002","91.274","0.002","3304.7","0.3","173","2","173","2","","","","","","","","3","P -1","-P 1","2","","","","- C72 H98 N6 -","- C72 H98 N6 -","- C144 H196 N12 -","2","1","","Sandoval, John J.; Melero, Cristóbal; Palma, Pilar; Álvarez, Eleuterio; Rodríguez-Delgado, Antonio; Cámpora, Juan","Oxygen-Induced Dimerization of Alkyl-Manganese(II) 2,6-Bisiminopyridine Complexes: Selective Synthesis of a New Ditopic NNN-Pincer Ligand","Organometallics","2016","35","19","3336","","10.1021/acs.organomet.6b00538","","","0.71073","MoKα","","0.1606","0.067","","","0.167","0.1942","","","","","","0.958","","","","has coordinates","237872","2020-10-21","18:00:00",""
"4088897","10.6161","0.0007","12.0195","0.0007","14.2961","0.0009","82.469","0.002","73.813","0.002","86.482","0.002","1736.17","0.19","173","2","173","2","","","","","","","","3","P -1","-P 1","2","","","","- C80 H102 N6 -","- C80 H102 N6 -","- C80 H102 N6 -","1","0.5","","Sandoval, John J.; Melero, Cristóbal; Palma, Pilar; Álvarez, Eleuterio; Rodríguez-Delgado, Antonio; Cámpora, Juan","Oxygen-Induced Dimerization of Alkyl-Manganese(II) 2,6-Bisiminopyridine Complexes: Selective Synthesis of a New Ditopic NNN-Pincer Ligand","Organometallics","2016","35","19","3336","","10.1021/acs.organomet.6b00538","","","0.71073","MoKα","","0.0694","0.0521","","","0.1414","0.1508","","","","","","1.071","","","","has coordinates","237872","2020-10-21","18:00:00",""
"4088898","16.327","0.002","14.644","0.002","16.555","0.003","90","","103.387","0.005","90","","3850.6","1","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C86 H112 N6 Pd2 -","- C86 H112 N6 Pd2 -","- C172 H224 N12 Pd4 -","2","0.5","","Sandoval, John J.; Melero, Cristóbal; Palma, Pilar; Álvarez, Eleuterio; Rodríguez-Delgado, Antonio; Cámpora, Juan","Oxygen-Induced Dimerization of Alkyl-Manganese(II) 2,6-Bisiminopyridine Complexes: Selective Synthesis of a New Ditopic NNN-Pincer Ligand","Organometallics","2016","35","19","3336","","10.1021/acs.organomet.6b00538","","","0.71073","MoKα","","0.1045","0.0889","","","0.2236","0.2355","","","","","","1.072","","","","has coordinates","237872","2020-10-21","18:00:00",""
"4088899","8.817","0.0007","8.9463","0.0007","18.1443","0.0014","95.973","0.002","95.706","0.002","110.448","0.002","1319.52","0.18","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","","","- C25 H38 B F4 O2 Rh -","- C25 H38 B F4 O2 Rh -","- C50 H76 B2 F8 O4 Rh2 -","2","1","","Shvydkiy, Nikita V.; Trifonova, Evgeniya A.; Shved, Andrei M.; Nelyubina, Yulia V.; Chusov, Denis; Perekalin, Dmitry S.; Kudinov, Alexander R.","Cyclobutadiene Arene Complexes of Rhodium and Iridium","Organometallics","2016","35","17","3025","","10.1021/acs.organomet.6b00539","","","0.71073","MoKα","","0.0481","0.0372","","","0.0856","0.0914","","","","","","1.02","","","","has coordinates,has disorder","237873","2020-10-21","18:00:00",""
"4088900","8.354","0.0013","9.2101","0.0015","21.622","0.003","90","","90","","90","","1663.6","0.4","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C16 H26 F2 O2 P Rh -","- C16 H26 F2 O2 P Rh -","- C64 H104 F8 O8 P4 Rh4 -","4","1","","Shvydkiy, Nikita V.; Trifonova, Evgeniya A.; Shved, Andrei M.; Nelyubina, Yulia V.; Chusov, Denis; Perekalin, Dmitry S.; Kudinov, Alexander R.","Cyclobutadiene Arene Complexes of Rhodium and Iridium","Organometallics","2016","35","17","3025","","10.1021/acs.organomet.6b00539","","","0.71073","MoKα","","0.0678","0.0578","","","0.1509","0.1589","","","","","","1.093","","","","has coordinates,has disorder","237873","2020-10-21","18:00:00",""
"4088901","9.724","0.0015","11.0917","0.0018","22.418","0.004","98.563","0.003","97.586","0.003","102.177","0.003","2303.5","0.7","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C60 H112 B22 Cu2 I4 N6 -","- C60 H112 B22 Cu2 I4 N6 -","- C60 H112 B22 Cu2 I4 N6 -","1","0.5","","Wang, Hao; Zhang, Jiji; Lin, Zhenyang; Xie, Zuowei","Synthesis and Structural Characterization of Carbene-Stabilized Carborane-Fused Azaborolyl Radical Cation and Dicarbollyl-Fused Azaborole","Organometallics","2016","35","16","2579","","10.1021/acs.organomet.6b00545","","","0.71073","MoKα","","0.1026","0.0616","","","0.187","0.2167","","","","","","1.1","","","","has coordinates","237874","2020-10-21","18:00:00",""
"4088902","10.2288","0.0003","11.168","0.0003","17.6416","0.0005","85.76","0.001","73.996","0.001","83.563","0.001","1923.02","0.09","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C30 H56 B11 Cl2 Cu N3 -","- C30 H56 B11 Cl2 Cu N3 -","- C60 H112 B22 Cl4 Cu2 N6 -","2","1","","Wang, Hao; Zhang, Jiji; Lin, Zhenyang; Xie, Zuowei","Synthesis and Structural Characterization of Carbene-Stabilized Carborane-Fused Azaborolyl Radical Cation and Dicarbollyl-Fused Azaborole","Organometallics","2016","35","16","2579","","10.1021/acs.organomet.6b00545","","","0.71073","MoKα","","0.1086","0.0517","","","0.1498","0.1908","","","","","","1.005","","","","has coordinates","237874","2020-10-21","18:00:00",""
"4088903","10.8512","0.0003","17.8546","0.0005","17.9252","0.0005","90","","90","","90","","3472.9","0.17","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C30 H55 B10 N3 -","- C30 H55 B10 N3 -","- C120 H220 B40 N12 -","4","1","","Wang, Hao; Zhang, Jiji; Lin, Zhenyang; Xie, Zuowei","Synthesis and Structural Characterization of Carbene-Stabilized Carborane-Fused Azaborolyl Radical Cation and Dicarbollyl-Fused Azaborole","Organometallics","2016","35","16","2579","","10.1021/acs.organomet.6b00545","","","0.71073","MoKα","","0.1949","0.0715","","","0.1291","0.1688","","","","","","0.97","","","","has coordinates","237874","2020-10-21","18:00:00",""
"4088904","21.286","0.002","21.286","0.002","19.703","0.003","90","","90","","90","","8927.3","1.8","163","2","163","2","","","","","","","","4","I 41/a :2","-I 4ad","88","","","","- C50 H70 Co Yb2 -","- C50 H70 Co Yb2 -","- C400 H560 Co8 Yb16 -","8","0.5","","Walter, Marc D.; Burns, Carol J.; Matsunaga, Phillip T.; Smith, Michael E.; Andersen, Richard A.","Synthesis and Physical Properties of Pentamethylmanganocene, (C5Me5)Mn(C5H5), and the Inclusion Compounds [(C5Me5)2Yb]2[(C5H5)2M] (Where M = V, Cr, Fe, Co)","Organometallics","2016","35","20","3488","","10.1021/acs.organomet.6b00554","","","0.71073","MoKα","","0.0368","0.0214","","","0.0488","0.0518","","","","","","1.114","","","","has coordinates","237876","2020-10-21","18:00:00",""
"4088905","7.865","0.002","8.2036","0.0015","12.163","0.002","101.645","0.015","96.985","0.018","118.493","0.018","653.5","0.3","183","2","183","2","","","","","","","","3","P -1","-P 1","2","","","","- C15 H20 Mn -","- C15 H20 Mn -","- C30 H40 Mn2 -","2","1","","Walter, Marc D.; Burns, Carol J.; Matsunaga, Phillip T.; Smith, Michael E.; Andersen, Richard A.","Synthesis and Physical Properties of Pentamethylmanganocene, (C5Me5)Mn(C5H5), and the Inclusion Compounds [(C5Me5)2Yb]2[(C5H5)2M] (Where M = V, Cr, Fe, Co)","Organometallics","2016","35","20","3488","","10.1021/acs.organomet.6b00554","","","0.71073","MoKα","","0.0371","0.035","","","0.0896","0.0912","","","","","","1.088","","","","has coordinates","237876","2020-10-21","18:00:00",""
"4088906","9.7117","0.0003","22.419","0.0008","19.4104","0.0007","90","","94.836","0.001","90","","4211.1","0.3","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","8","","","- C38 H59 Fe2 N O5 Si -","- C38 H59 Fe2 N O5 Si -","- C152 H236 Fe8 N4 O20 Si4 -","4","1","","Bruña, Sonia; Garrido-Castro, Alberto F.; Perles, Josefina; Montero-Campillo, M. Merced; Mó, Otilia; Kaifer, Angel E.; Cuadrado, Isabel","Multi-Ferrocene-Containing Silanols as Redox-Active Anion Receptors","Organometallics","2016","35","20","3507","","10.1021/acs.organomet.6b00559","","","0.71073","","","0.0924","0.0671","","","0.1898","0.2184","","","","","","1.042","","","","has coordinates","237877","2020-10-21","18:00:00",""
"4088907","16.2645","0.0004","17.2816","0.0004","28.2241","0.0008","90","","100.056","0.001","90","","7811.3","0.3","296","2","296","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","9","","","- C36 H56 Cl Fe2 N O2 Si -","- C36 H56 Cl Fe2 N O2 Si -","- C288 H448 Cl8 Fe16 N8 O16 Si8 -","8","1","","Bruña, Sonia; Garrido-Castro, Alberto F.; Perles, Josefina; Montero-Campillo, M. Merced; Mó, Otilia; Kaifer, Angel E.; Cuadrado, Isabel","Multi-Ferrocene-Containing Silanols as Redox-Active Anion Receptors","Organometallics","2016","35","20","3507","","10.1021/acs.organomet.6b00559","","","0.71073","","","0.0953","0.0732","","","0.2093","0.2363","","","","","","1.082","","","","has coordinates","237877","2020-10-21","18:00:00",""
"4088908","11.971","0.0005","27.1101","0.0008","17.4211","0.0006","90","","90.835","0.002","90","","5653.2","0.3","200","2","200","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","10","","","- C58 H81 Fe4 N O7 Si2 -","- C58 H81 Fe4 N O7 Si2 -","- C232 H324 Fe16 N4 O28 Si8 -","4","1","","Bruña, Sonia; Garrido-Castro, Alberto F.; Perles, Josefina; Montero-Campillo, M. Merced; Mó, Otilia; Kaifer, Angel E.; Cuadrado, Isabel","Multi-Ferrocene-Containing Silanols as Redox-Active Anion Receptors","Organometallics","2016","35","20","3507","","10.1021/acs.organomet.6b00559","","","0.71073","","","0.0829","0.0442","","","0.1091","0.1427","","","","","","1.013","","","","has coordinates","237877","2020-10-21","18:00:00",""
"4088909","11.8327","0.0004","18.0641","0.001","22.3377","0.0012","85.69","0.002","77.899","0.002","79.981","0.002","4593.6","0.4","200","2","200","2","","","","","","","","7","P -1","-P 1","2","11","","","- C99 H117 Cl2 Fe8 N O8 Si4 -","- C99 H117 Cl2 Fe8 N O8 Si4 -","- C198 H234 Cl4 Fe16 N2 O16 Si8 -","2","1","","Bruña, Sonia; Garrido-Castro, Alberto F.; Perles, Josefina; Montero-Campillo, M. Merced; Mó, Otilia; Kaifer, Angel E.; Cuadrado, Isabel","Multi-Ferrocene-Containing Silanols as Redox-Active Anion Receptors","Organometallics","2016","35","20","3507","","10.1021/acs.organomet.6b00559","","","0.71073","MoKα","","0.0642","0.0447","","","0.1269","0.1512","","","","","","1.026","","","","has coordinates","237877","2020-10-21","18:00:00",""
"4088910","12.1923","0.001","27.906","0.002","15.7482","0.0015","90","","95.291","0.004","90","","5335.3","0.8","200","2","200","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","12","","","- C56 H74 Cl Fe4 N O3 Si2 -","- C56 H74 Cl Fe4 N O3 Si2 -","- C224 H296 Cl4 Fe16 N4 O12 Si8 -","4","1","","Bruña, Sonia; Garrido-Castro, Alberto F.; Perles, Josefina; Montero-Campillo, M. Merced; Mó, Otilia; Kaifer, Angel E.; Cuadrado, Isabel","Multi-Ferrocene-Containing Silanols as Redox-Active Anion Receptors","Organometallics","2016","35","20","3507","","10.1021/acs.organomet.6b00559","","","0.71073","","","0.0856","0.0438","","","0.1093","0.1476","","","","","","1.101","","","","has coordinates","237877","2020-10-21","18:00:00",""
"4088911","11.8053","0.0015","14.5306","0.0018","29.999","0.004","90","","90","","90","","5146","1.1","100","","100","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C23 H38 Cr N2 O3 P2 -","- C23 H38 Cr N2 O3 P2 -","- C184 H304 Cr8 N16 O24 P16 -","8","1","","de Aguiar, Sara R. M. M.; Stöger, Berthold; Pittenauer, Ernst; Allmaier, Günter; Veiros, Luis F.; Kirchner, Karl","Arene C‒H Bond Coordination versus C‒H Bond Cleavage in Low-Valent Group 6 Carbonyl Pincer Complexes","Organometallics","2016","35","17","3032","","10.1021/acs.organomet.6b00563","","x-ray","0.71073","MoKα","","0.0549","0.0441","","","0.0582","0.0591","","","","3.11","3.11","2.85","","","","has coordinates","237878","2020-10-21","18:00:00",""
"4088912","12.0638","0.0012","14.3453","0.0014","30.102","0.003","90","","90","","90","","5209.4","0.9","100","","100","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C23 H38 Mo N2 O3 P2 -","- C23 H38 Mo N2 O3 P2 -","- C184 H304 Mo8 N16 O24 P16 -","8","1","","de Aguiar, Sara R. M. M.; Stöger, Berthold; Pittenauer, Ernst; Allmaier, Günter; Veiros, Luis F.; Kirchner, Karl","Arene C‒H Bond Coordination versus C‒H Bond Cleavage in Low-Valent Group 6 Carbonyl Pincer Complexes","Organometallics","2016","35","17","3032","","10.1021/acs.organomet.6b00563","","x-ray","0.71073","MoKα","","0.0359","0.0283","","","0.0528","0.0542","","","","2.03","2.03","1.94","","","","has coordinates","237878","2020-10-21","18:00:00",""
"4088913","18.784","0.013","12.325","0.008","11.039","0.007","90","","90","","90","","2556","3","100","","100","","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C23 H38 N2 O3 P2 W -","- C23 H38 N2 O3 P2 W -","- C92 H152 N8 O12 P8 W4 -","4","0.5","","de Aguiar, Sara R. M. M.; Stöger, Berthold; Pittenauer, Ernst; Allmaier, Günter; Veiros, Luis F.; Kirchner, Karl","Arene C‒H Bond Coordination versus C‒H Bond Cleavage in Low-Valent Group 6 Carbonyl Pincer Complexes","Organometallics","2016","35","17","3032","","10.1021/acs.organomet.6b00563","","x-ray","0.71073","MoKα","","0.0184","0.0136","","","0.0185","0.0193","","","","1.31","1.31","1.29","","","","has coordinates","237878","2020-10-21","18:00:00",""
"4088914","8.0568","0.0005","14.4365","0.0008","24.0039","0.0016","90","","99.64","0.003","90","","2752.5","0.3","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C17.66667 H18.33333 Au Cl2.33333 F S -","- C17.6667 H18.3333 Au Cl2.33333 F S -","- C106 H110 Au6 Cl14 F6 S6 -","6","3","","Santschi, Nico; Thiehoff, Christian; Holland, Mareike C.; Daniliuc, Constantin G.; Houk, K. N.; Gilmour, Ryan","The Sulfur‒Fluorine Gauche Effect in Coinage-Metal Complexes: Augmenting Conformational Equilibria by Complexation","Organometallics","2016","35","17","3040","","10.1021/acs.organomet.6b00564","","","0.71073","MoKα","","0.0502","0.0392","","","0.065","0.0678","","","","","","1.119","","","","has coordinates","253206","2020-10-21","18:00:00",""
"4088915","17.403","0.0007","14.0758","0.0006","15.9506","0.0006","90","","90","","90","","3907.3","0.3","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C34 H34 Ag2 F14 S2 Sb2 -","- C34 H34 Ag2 F14 S2 Sb2 -","- C136 H136 Ag8 F56 S8 Sb8 -","4","1","","Santschi, Nico; Thiehoff, Christian; Holland, Mareike C.; Daniliuc, Constantin G.; Houk, K. N.; Gilmour, Ryan","The Sulfur‒Fluorine Gauche Effect in Coinage-Metal Complexes: Augmenting Conformational Equilibria by Complexation","Organometallics","2016","35","17","3040","","10.1021/acs.organomet.6b00564","","","0.71073","MoKα","","0.0305","0.0302","","","0.0755","0.0756","","","","","","1.21","","","","has coordinates","237879","2020-10-21","18:00:00",""
"4088916","8.445","0.003","14.704","0.005","16.727","0.005","73.882","0.013","79.293","0.013","88.688","0.014","1959.8","1.1","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C52 H80 F K O34 Si8 -","- C52 H80 F K O34 Si8 -","- C52 H80 F K O34 Si8 -","1","0.5","","El Aziz, Youssef; Taylor, Peter G.; Bassindale, Alan R.; Coles, Simon J.; Pitak, Mateusz B.","Synthesis and Structures of Novel Molecular Ionic Compounds Based on Encapsulation of Anions and Cations","Organometallics","2016","35","24","4004","","10.1021/acs.organomet.6b00565","","x-ray","0.71075","MoKα","K-L~3~","0.0837","0.0729","","","0.1979","0.2067","","","","","","1.04","","","","has coordinates,has disorder","237880","2020-10-21","18:00:00",""
"4088917","10.687","0.004","11.839","0.004","12.269","0.004","82.019","0.013","78.529","0.011","84.78","0.014","1503.4","0.9","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C36 H64 F K O34 Si8 -","- C36 H64 F K O34 Si8 -","- C36 H64 F K O34 Si8 -","1","0.5","","El Aziz, Youssef; Taylor, Peter G.; Bassindale, Alan R.; Coles, Simon J.; Pitak, Mateusz B.","Synthesis and Structures of Novel Molecular Ionic Compounds Based on Encapsulation of Anions and Cations","Organometallics","2016","35","24","4004","","10.1021/acs.organomet.6b00565","","x-ray","0.71075","MoKα","K-L~3~","0.0603","0.0467","","","0.1197","0.1276","","","","","","1.031","","","","has coordinates","237880","2020-10-21","18:00:00",""
"4088918","15.177","0.0018","19.121","0.002","18.807","0.002","90","","90","","90","","5457.8","1","100","2","100","2","","","","","","","","7","P b c n","-P 2n 2ab","60","","","","- C36 H56 F K N8 O18 Si8 -","- C36 H56 F K N8 O18 Si8 -","- C144 H224 F4 K4 N32 O72 Si32 -","4","0.5","","El Aziz, Youssef; Taylor, Peter G.; Bassindale, Alan R.; Coles, Simon J.; Pitak, Mateusz B.","Synthesis and Structures of Novel Molecular Ionic Compounds Based on Encapsulation of Anions and Cations","Organometallics","2016","35","24","4004","","10.1021/acs.organomet.6b00565","","x-ray","0.71075","MoKα","K-L~3~","0.0383","0.0347","","","0.0861","0.0881","","","","","","1.163","","","","has coordinates","237880","2020-10-21","18:00:00",""
"4088919","13.8521","0.0005","14.5848","0.0005","14.9006","0.001","69.641","0.005","83.129","0.006","61.922","0.004","2486.6","0.2","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C62 H60 Cl2 F73 K O18 Si8 -","- C62 H60 Cl2 F73 K O18 Si8 -","- C62 H60 Cl2 F73 K O18 Si8 -","1","0.5","","El Aziz, Youssef; Taylor, Peter G.; Bassindale, Alan R.; Coles, Simon J.; Pitak, Mateusz B.","Synthesis and Structures of Novel Molecular Ionic Compounds Based on Encapsulation of Anions and Cations","Organometallics","2016","35","24","4004","","10.1021/acs.organomet.6b00565","","x-ray","0.71075","MoKα","K-L~3~","0.0534","0.0478","","","0.1319","0.1351","","","","","","1.078","","","","has coordinates,has disorder","237880","2020-10-21","18:00:00",""
"4088920","15.1086","0.0005","19.1296","0.0006","18.9252","0.0013","90","","90","","90","","5469.8","0.5","100","2","100","2","","","","","","","","7","P b c n","-P 2n 2ab","60","","","","- C36 H56 F N8 O18 Rb Si8 -","- C36 H56 F N8 O18 Rb Si8 -","- C144 H224 F4 N32 O72 Rb4 Si32 -","4","0.5","","El Aziz, Youssef; Taylor, Peter G.; Bassindale, Alan R.; Coles, Simon J.; Pitak, Mateusz B.","Synthesis and Structures of Novel Molecular Ionic Compounds Based on Encapsulation of Anions and Cations","Organometallics","2016","35","24","4004","","10.1021/acs.organomet.6b00565","","x-ray","0.71075","MoKα","K-L~3~","0.0417","0.0317","","","0.0768","0.081","","","","","","1.044","","","","has coordinates","237880","2020-10-21","18:00:00",""
"4088921","10.841","0.0005","10.8627","0.0004","14.0694","0.0009","92.776","0.007","90.134","0.006","104.358","0.007","1603.04","0.15","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C44 H72 F K N8 O18 Si8 -","- C44 H72 F K N8 O18 Si8 -","- C44 H72 F K N8 O18 Si8 -","1","0.5","","El Aziz, Youssef; Taylor, Peter G.; Bassindale, Alan R.; Coles, Simon J.; Pitak, Mateusz B.","Synthesis and Structures of Novel Molecular Ionic Compounds Based on Encapsulation of Anions and Cations","Organometallics","2016","35","24","4004","","10.1021/acs.organomet.6b00565","","x-ray","0.71075","MoKα","K-L~3~","0.0466","0.0366","","","0.0914","0.0962","","","","","","1.051","","","","has coordinates","237880","2020-10-21","18:00:00",""
"4088922","18.9149","0.0002","11.58948","0.00014","21.6672","0.0003","90","","99.4158","0.0012","90","","4685.76","0.1","100","","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C38 H73 Ca K N4 Si4 -","- C38 H73 Ca K N4 Si4 -","- C152 H292 Ca4 K4 N16 Si16 -","4","1","","Causero, Andrea; Ballmann, Gerd; Pahl, Jürgen; Zijlstra, Harmen; Färber, Christian; Harder, Sjoerd","Stabilization of Calcium Hydride Complexes by Fine Tuning of Amidinate Ligands","Organometallics","2016","35","19","3350","","10.1021/acs.organomet.6b00566","","x-ray","1.54184","CuKα","","0.0419","0.037","","","0.0976","0.1021","","","","","","1.026","","","","has coordinates","237881","2020-10-21","18:00:00",""
"4088923","12.12062","0.00013","16.59171","0.00016","22.9746","0.0002","90","","90.4699","0.0009","90","","4620.08","0.08","100","","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C50 H72 Ca N4 O -","- C50 H72 Ca N4 O -","- C200 H288 Ca4 N16 O4 -","4","1","","Causero, Andrea; Ballmann, Gerd; Pahl, Jürgen; Zijlstra, Harmen; Färber, Christian; Harder, Sjoerd","Stabilization of Calcium Hydride Complexes by Fine Tuning of Amidinate Ligands","Organometallics","2016","35","19","3350","","10.1021/acs.organomet.6b00566","","x-ray","1.54184","CuKα","","0.0376","0.0363","","","0.0991","0.1004","","","","","","1.04","","","","has coordinates,has disorder","237882","2020-10-21","18:00:00",""
"4088924","11.78345","0.00019","15.5905","0.0002","23.5944","0.0004","102.671","0.0013","94.2421","0.0013","106.062","0.0014","4021.74","0.12","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C64 H110 Ca2 N6 Si4 -","- C64 H110 Ca2 N6 Si4 -","- C128 H220 Ca4 N12 Si8 -","2","1","","Causero, Andrea; Ballmann, Gerd; Pahl, Jürgen; Zijlstra, Harmen; Färber, Christian; Harder, Sjoerd","Stabilization of Calcium Hydride Complexes by Fine Tuning of Amidinate Ligands","Organometallics","2016","35","19","3350","","10.1021/acs.organomet.6b00566","","x-ray","1.54184","CuKα","","0.0435","0.0403","","","0.1109","0.1136","","","","","","1.022","","","","has coordinates","237883","2020-10-21","18:00:00",""
"4088925","10.6373","0.0004","12.4259","0.0003","16.4223","0.0003","90.146","0.002","92.606","0.002","98.163","0.003","2146.36","0.1","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C39 H71 Ca N3 O Si2 -","- C39 H71 Ca N3 O Si2 -","- C78 H142 Ca2 N6 O2 Si4 -","2","1","","Causero, Andrea; Ballmann, Gerd; Pahl, Jürgen; Zijlstra, Harmen; Färber, Christian; Harder, Sjoerd","Stabilization of Calcium Hydride Complexes by Fine Tuning of Amidinate Ligands","Organometallics","2016","35","19","3350","","10.1021/acs.organomet.6b00566","","x-ray","1.54184","CuKα","","0.0426","0.0384","","","0.1088","0.1109","","","","","","1.078","","","","has coordinates","237884","2020-10-21","18:00:00",""
"4088926","31.274","0.0005","22.9849","0.0002","21.3045","0.0002","90","","108.035","0.0013","90","","14561.8","0.3","100","","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C96 H156 Ca2 N6 O2 Si4 -","- C96 H156 Ca2 N6 O2 Si4 -","- C576 H936 Ca12 N36 O12 Si24 -","6","1.5","","Causero, Andrea; Ballmann, Gerd; Pahl, Jürgen; Zijlstra, Harmen; Färber, Christian; Harder, Sjoerd","Stabilization of Calcium Hydride Complexes by Fine Tuning of Amidinate Ligands","Organometallics","2016","35","19","3350","","10.1021/acs.organomet.6b00566","","x-ray","1.54184","CuKα","","0.0527","0.0437","","","0.1104","0.1177","","","","","","1.029","","","","has coordinates","237885","2020-10-21","18:00:00",""
"4088927","14.7482","0.0007","18.0397","0.0007","16.8077","0.0007","90","","94.156","0.005","90","","4460","0.3","100","","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C40 H73 Ca N3 O Si2 -","- C40 H73 Ca N3 O Si2 -","- C160 H292 Ca4 N12 O4 Si8 -","4","1","","Causero, Andrea; Ballmann, Gerd; Pahl, Jürgen; Zijlstra, Harmen; Färber, Christian; Harder, Sjoerd","Stabilization of Calcium Hydride Complexes by Fine Tuning of Amidinate Ligands","Organometallics","2016","35","19","3350","","10.1021/acs.organomet.6b00566","","x-ray","1.54184","CuKα","","0.0745","0.0645","","","0.1716","0.1965","","","","","","1.047","","","","has coordinates,has disorder","237886","2020-10-21","18:00:00",""
"4088928","16.3967","0.0002","16.426","0.0003","21.1559","0.0004","110.503","0.002","102.618","0.001","100.022","0.001","5008.65","0.17","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C104 H150 Ca2 N6 Si4 -","- C104 H150 Ca2 N6 Si4 -","- C208 H300 Ca4 N12 Si8 -","2","1","","Causero, Andrea; Ballmann, Gerd; Pahl, Jürgen; Zijlstra, Harmen; Färber, Christian; Harder, Sjoerd","Stabilization of Calcium Hydride Complexes by Fine Tuning of Amidinate Ligands","Organometallics","2016","35","19","3350","","10.1021/acs.organomet.6b00566","","x-ray","1.54184","CuKα","","0.0628","0.0594","","","0.1689","0.1719","","","","","","1.068","","","","has coordinates,has disorder","237887","2020-10-21","18:00:00",""
"4088929","9.87724","0.00017","12.3264","0.0002","33.7986","0.0007","90","","92.2021","0.0017","90","","4111.97","0.13","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C41 H67 Ca N3 Si2 -","- C41 H67 Ca N3 Si2 -","- C164 H268 Ca4 N12 Si8 -","4","1","","Causero, Andrea; Ballmann, Gerd; Pahl, Jürgen; Zijlstra, Harmen; Färber, Christian; Harder, Sjoerd","Stabilization of Calcium Hydride Complexes by Fine Tuning of Amidinate Ligands","Organometallics","2016","35","19","3350","","10.1021/acs.organomet.6b00566","","x-ray","1.54184","CuKα","","0.0568","0.0511","","","0.1346","0.1404","","","","","","1.039","","","","has coordinates","237888","2020-10-21","18:00:00",""
"4088930","15.1967","0.0002","18.2301","0.0003","25.8609","0.0004","92.8035","0.0013","101.632","0.0012","114.073","0.0015","6337.71","0.19","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C119 H180 Ca3 N6 O2 -","- C119 H180 Ca3 N6 O2 -","- C238 H360 Ca6 N12 O4 -","2","1","","Causero, Andrea; Ballmann, Gerd; Pahl, Jürgen; Zijlstra, Harmen; Färber, Christian; Harder, Sjoerd","Stabilization of Calcium Hydride Complexes by Fine Tuning of Amidinate Ligands","Organometallics","2016","35","19","3350","","10.1021/acs.organomet.6b00566","","x-ray","1.54184","CuKα","","0.0631","0.0552","","","0.1541","0.1623","","","","","","1.07","","","","has coordinates","237889","2020-10-21","18:00:00",""
"4088931","27.3042","0.0002","12.4085","0.0001","58.1368","0.0003","90","","94.455","0.001","90","","19637.5","0.2","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","{[tBuC(NDIPP)2]CaH}3.(Et2O)2","","","- C95 H152 Ca3 N6 O2 -","- C95 H152 Ca3 N6 O2 -","- C760 H1216 Ca24 N48 O16 -","8","2","","Causero, Andrea; Ballmann, Gerd; Pahl, Jürgen; Zijlstra, Harmen; Färber, Christian; Harder, Sjoerd","Stabilization of Calcium Hydride Complexes by Fine Tuning of Amidinate Ligands","Organometallics","2016","35","19","3350","","10.1021/acs.organomet.6b00566","","","1.54184","CuKα","","0.0577","0.051","","","0.135","0.1409","","","","","","1.034","","","","has coordinates","237890","2020-10-21","18:00:00",""
"4088932","10.455","0.0002","10.5225","0.0002","19.8508","0.0003","83.3598","0.0015","87.9438","0.0015","69.2211","0.0018","2028.07","0.07","100","0.1","100","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C94 H124 Ca2 N4 -","- C94 H124 Ca2 N4 -","- C94 H124 Ca2 N4 -","1","0.5","","Causero, Andrea; Ballmann, Gerd; Pahl, Jürgen; Zijlstra, Harmen; Färber, Christian; Harder, Sjoerd","Stabilization of Calcium Hydride Complexes by Fine Tuning of Amidinate Ligands","Organometallics","2016","35","19","3350","","10.1021/acs.organomet.6b00566","","x-ray","1.54184","CuKα","","0.0596","0.0569","","","0.1546","0.157","","","","","","1.022","","","","has coordinates,has disorder","237891","2020-10-21","18:00:00",""
"4088933","25.87836","0.00019","23.55001","0.00014","18.77362","0.00012","90","","90","","90","","11441.3","0.13","99.97","0.11","99.97","0.11","","","","","","","","7","P c c n","-P 2ab 2ac","56","","","","- C59.75 H54.3 Cl0.3 I O0.4 P4 Re -","- C59.75 H50 Cl0.3 I O0.4 P4 Re -","- C478 H400 Cl2.4 I8 O3.2 P32 Re8 -","8","1","","Chan, Ka Wing; Bai, Wei; Lee, Kui Fun; Lee, Ka-Ho; Sung, Herman H. Y.; Williams, Ian D.; Lin, Zhenyang; Jia, Guochen","Synthesis of Rhenium Vinylidene and Carbyne Complexes from Reactions of [Re(dppm)3]I with Terminal Alkynes and Alkynols","Organometallics","2016","35","20","3520","","10.1021/acs.organomet.6b00568","","x-ray","1.54184","CuKα","","0.0417","0.0343","","","0.1063","0.1124","","","","","","1.002","","","","has coordinates,has disorder","237892","2020-10-21","18:00:00",""
"4088934","12.1612","0.0003","21.6494","0.0004","18.783","0.0004","90","","92.142","0.002","90","","4941.78","0.19","115","20","115","20","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C53 H49 Cl2 I2 P4 Re -","- C53 H49 Cl2 I2 P4 Re -","- C212 H196 Cl8 I8 P16 Re4 -","4","1","","Chan, Ka Wing; Bai, Wei; Lee, Kui Fun; Lee, Ka-Ho; Sung, Herman H. Y.; Williams, Ian D.; Lin, Zhenyang; Jia, Guochen","Synthesis of Rhenium Vinylidene and Carbyne Complexes from Reactions of [Re(dppm)3]I with Terminal Alkynes and Alkynols","Organometallics","2016","35","20","3520","","10.1021/acs.organomet.6b00568","","x-ray","1.54184","CuKα","","0.0277","0.0244","","","0.0537","0.0547","","","","","","1.002","","","","has coordinates","237892","2020-10-21","18:00:00",""
"4088935","11.59913","0.00008","25.23414","0.00016","20.75974","0.00011","90","","103.79","0.0006","90","","5901.1","0.07","99.9","0.3","99.9","0.3","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C66 H57 Cl2 I2 P4 Re -","- C66 H57 Cl2 I2 P4 Re -","- C264 H228 Cl8 I8 P16 Re4 -","4","1","","Chan, Ka Wing; Bai, Wei; Lee, Kui Fun; Lee, Ka-Ho; Sung, Herman H. Y.; Williams, Ian D.; Lin, Zhenyang; Jia, Guochen","Synthesis of Rhenium Vinylidene and Carbyne Complexes from Reactions of [Re(dppm)3]I with Terminal Alkynes and Alkynols","Organometallics","2016","35","20","3520","","10.1021/acs.organomet.6b00568","","","1.5418","CuKα","","0.0309","0.0289","","","0.0712","0.0723","","","","","","1.003","","","","has coordinates","237892","2020-10-21","18:00:00",""
"4088936","24.364","0.0004","11.3618","0.0001","20.4318","0.0003","90","","109.061","0.002","90","","5345.8","0.14","173","0.14","173","0.14","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C65 H56 I O P4 Re -","- C65 H56 I O P4 Re -","- C260 H224 I4 O4 P16 Re4 -","4","1","","Chan, Ka Wing; Bai, Wei; Lee, Kui Fun; Lee, Ka-Ho; Sung, Herman H. Y.; Williams, Ian D.; Lin, Zhenyang; Jia, Guochen","Synthesis of Rhenium Vinylidene and Carbyne Complexes from Reactions of [Re(dppm)3]I with Terminal Alkynes and Alkynols","Organometallics","2016","35","20","3520","","10.1021/acs.organomet.6b00568","","x-ray","1.5418","CuKα","","0.046","0.039","","","0.0911","0.0957","","","","","","1.005","","","","has coordinates","237892","2020-10-21","18:00:00",""
"4088937","10.5015","0.0008","15.2421","0.0011","12.9606","0.001","90","","90.147","0.002","90","","2074.5","0.3","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C26 H25 Fe N O2 -","- C26 H25 Fe N O2 -","- C104 H100 Fe4 N4 O8 -","4","2","","Gao, De-Wei; Gu, Yiting; Wang, Shao-Bo; Gu, Qing; You, Shu-Li","Palladium(0)-Catalyzed Asymmetric C‒H Alkenylation for Efficient Synthesis of Planar Chiral Ferrocenes","Organometallics","2016","35","18","3227","","10.1021/acs.organomet.6b00569","","","0.71073","MoKα","","0.0434","0.0298","","","0.0588","0.0638","","","","","","0.999","","","","has coordinates","237893","2020-10-21","18:00:00",""
"4088938","9.1938","0.0003","11.5524","0.0004","9.6348","0.0003","90","","90","","90","","1023.32","0.06","110","2","110","2","","","","","","","","5","P n m a","-P 2ac 2n","62","LKR-606","","","- C6 H11 O2 Re S3 -","- C6 H11 O2 Re S3 -","- C24 H44 O8 Re4 S12 -","4","0.5","","Robbins, Leanna K.; Lilly, Cassandra P.; Sommer, Roger D.; Ison, Elon A.","Effect of the Ancillary Ligand on the Mechanism for CO Migratory Insertion in High-Valent Oxorhenium Complexes","Organometallics","2016","35","20","3530","","10.1021/acs.organomet.6b00570","","","0.71073","MoKα","","0.0179","0.017","","","0.042","0.0424","","","","","","1.096","","","","has coordinates","237894","2020-10-21","18:00:00",""
"4088939","8.2013","0.0003","15.5245","0.0005","9.8861","0.0003","90","","101.121","0.002","90","","1235.07","0.07","110","2","110","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","LKR-678","","","- C10 H13 O Re S3 -","- C10 H13 O Re S3 -","- C40 H52 O4 Re4 S12 -","4","1","","Robbins, Leanna K.; Lilly, Cassandra P.; Sommer, Roger D.; Ison, Elon A.","Effect of the Ancillary Ligand on the Mechanism for CO Migratory Insertion in High-Valent Oxorhenium Complexes","Organometallics","2016","35","20","3530","","10.1021/acs.organomet.6b00570","","","0.71073","MoKα","","0.0229","0.0197","","","0.0419","0.0426","","","","","","1.135","","","","has coordinates","237894","2020-10-21","18:00:00",""
"4088940","15.7482","0.0007","9.5141","0.0004","18.5449","0.0008","90","","103.734","0.002","90","","2699.1","0.2","110","2","110","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","LKR-702","","","- C11 H15 O Re S3 -","- C11 H15 O Re S3 -","- C88 H120 O8 Re8 S24 -","8","2","","Robbins, Leanna K.; Lilly, Cassandra P.; Sommer, Roger D.; Ison, Elon A.","Effect of the Ancillary Ligand on the Mechanism for CO Migratory Insertion in High-Valent Oxorhenium Complexes","Organometallics","2016","35","20","3530","","10.1021/acs.organomet.6b00570","","","0.71073","MoKα","","0.0289","0.0254","","","0.0527","0.0534","","","","","","1.292","","","","has coordinates","237894","2020-10-21","18:00:00",""
"4088941","7.2497","0.0003","18.072","0.0007","8.0726","0.0003","90","","104.951","0.002","90","","1021.84","0.07","110","2","110","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","LKR-843","","","- C6 H13 O Re S3 -","- C6 H13 O Re S3 -","- C24 H52 O4 Re4 S12 -","4","1","","Robbins, Leanna K.; Lilly, Cassandra P.; Sommer, Roger D.; Ison, Elon A.","Effect of the Ancillary Ligand on the Mechanism for CO Migratory Insertion in High-Valent Oxorhenium Complexes","Organometallics","2016","35","20","3530","","10.1021/acs.organomet.6b00570","","","0.71073","MoKα","","0.0257","0.0218","","","0.042","0.043","","","","","","1.071","","","","has coordinates","237894","2020-10-21","18:00:00",""
"4088942","10.652","0.0004","14.5211","0.0006","14.9039","0.0006","90","","94.26","0.001","90","","2298.95","0.16","110","2","110","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","LKR-847","","","- C7 H13 O2 Re S3 -","- C7 H13 O2 Re S3 -","- C56 H104 O16 Re8 S24 -","8","2","","Robbins, Leanna K.; Lilly, Cassandra P.; Sommer, Roger D.; Ison, Elon A.","Effect of the Ancillary Ligand on the Mechanism for CO Migratory Insertion in High-Valent Oxorhenium Complexes","Organometallics","2016","35","20","3530","","10.1021/acs.organomet.6b00570","","","0.71073","MoKα","","0.0245","0.0202","","","0.0397","0.0406","","","","","","1.074","","","","has coordinates","237894","2020-10-21","18:00:00",""
"4088943","11.612","0.0005","8.9891","0.0004","19.1466","0.0009","90","","106.025","0.002","90","","1920.89","0.15","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","LKR 879","","","- C12 H16 O4 Re2 S6 -","- C12 H16 O4 Re2 S6 -","- C48 H64 O16 Re8 S24 -","4","1","","Robbins, Leanna K.; Lilly, Cassandra P.; Sommer, Roger D.; Ison, Elon A.","Effect of the Ancillary Ligand on the Mechanism for CO Migratory Insertion in High-Valent Oxorhenium Complexes","Organometallics","2016","35","20","3530","","10.1021/acs.organomet.6b00570","","","0.71073","MoKα","","0.0328","0.023","","","0.0447","0.0472","","","","","","1.046","","","","has coordinates","237894","2020-10-21","18:00:00",""
"4088944","8.127","0.003","19.795","0.006","17.268","0.005","90","","101.636","0.005","90","","2720.9","1.5","173.15","","173.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C23 H29 Cl3 Cr N7 O2 -","- C23 H29 Cl3 Cr N7 O2 -","- C92 H116 Cl12 Cr4 N28 O8 -","4","1","","Luo, Wenlong; Li, Antai; Liu, Shaofeng; Ye, Hongqi; Li, Zhibo","2-Benzimidazol-6-pyrazol-pyridine Chromium(III) Trichlorides: Synthesis, Characterization, and Application for Ethylene Oligomerization and Polymerization","Organometallics","2016","35","17","3045","","10.1021/acs.organomet.6b00573","","","0.71073","MoKα","","0.0759","0.0639","","","0.143","0.15","","","","","","1.131","","","","has coordinates","237895","2020-10-21","18:00:00",""
"4088945","7.8822","0.0019","26.447","0.006","11.389","0.003","90","","93.064","0.004","90","","2370.8","1","173","","173","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C21 H24 Cl3 Cr N6 O -","- C21 H24 Cl3 Cr N6 O -","- C84 H96 Cl12 Cr4 N24 O4 -","4","1","","Luo, Wenlong; Li, Antai; Liu, Shaofeng; Ye, Hongqi; Li, Zhibo","2-Benzimidazol-6-pyrazol-pyridine Chromium(III) Trichlorides: Synthesis, Characterization, and Application for Ethylene Oligomerization and Polymerization","Organometallics","2016","35","17","3045","","10.1021/acs.organomet.6b00573","","","0.71073","MoKα","","0.0702","0.0616","","","0.1338","0.1388","","","","","","1.121","","","","has coordinates","237895","2020-10-21","18:00:00",""
"4088946","7.9179","0.0002","30.7798","0.0006","12.2761","0.0002","90","","108.765","0.001","90","","2832.8","0.1","180","2","180","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C36 H35 B Fe -","- C36 H35 B Fe -","- C144 H140 B4 Fe4 -","4","1","","Yuan, Kang; Wang, Xiang; Mellerup, Soren K.; Wyman, Ian; Schatte, Gabriele; Ding, Zhifeng; Wang, Suning","Triarylborane-Supported Polyferrocenyl Systems: Impact of the Linking Unit on Electronic and Electrochemical Properties","Organometallics","2016","35","17","3051","","10.1021/acs.organomet.6b00574","","","0.71073","MoKα","","0.0568","0.0389","","","0.092","0.1016","","","","","","1.084","","","","has coordinates","237896","2020-10-21","18:00:00",""
"4088947","10.9634","0.0005","15.5247","0.0007","17.3296","0.0008","103.466","0.003","99.86","0.003","96.218","0.003","2792.1","0.2","180","2","180","2","","","","","","","","5","P -1","-P 1","2","","","","- C70 H72 B2 Fe2 O -","- C70 H72 B2 Fe2 O -","- C140 H144 B4 Fe4 O2 -","2","1","","Yuan, Kang; Wang, Xiang; Mellerup, Soren K.; Wyman, Ian; Schatte, Gabriele; Ding, Zhifeng; Wang, Suning","Triarylborane-Supported Polyferrocenyl Systems: Impact of the Linking Unit on Electronic and Electrochemical Properties","Organometallics","2016","35","17","3051","","10.1021/acs.organomet.6b00574","","","0.71073","MoKα","","0.1208","0.0567","","","0.1157","0.14","","","","","","1.041","","","","has coordinates","237896","2020-10-21","18:00:00",""
"4088948","13.004","0.0004","16.7893","0.0005","49.3856","0.0015","90","","90","","90","","10782.3","0.6","180","2","180","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C66 H63 B Fe3 -","- C66 H63 B Fe3 -","- C528 H504 B8 Fe24 -","8","2","","Yuan, Kang; Wang, Xiang; Mellerup, Soren K.; Wyman, Ian; Schatte, Gabriele; Ding, Zhifeng; Wang, Suning","Triarylborane-Supported Polyferrocenyl Systems: Impact of the Linking Unit on Electronic and Electrochemical Properties","Organometallics","2016","35","17","3051","","10.1021/acs.organomet.6b00574","","","0.71073","MoKα","","0.093","0.0628","","","0.138","0.1505","","","","","","1.067","","","","has coordinates","252052","2020-10-21","18:00:00",""
"4088949","10.9789","0.0008","12.9558","0.0009","15.6161","0.0011","94.871","0.004","104.798","0.004","102.578","0.004","2072.7","0.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H26 Fe N2 O2 -","- C26 H26 Fe N2 O2 -","- C104 H104 Fe4 N8 O8 -","4","2","","Sansook, Supojjanee; Tuo, Wei; Lemaire, Lucas; Tourteau, Aurélien; Barczyk, Amélie; Dezitter, Xavier; Klupsch, Frédérique; Leleu-Chavain, Natascha; Tizzard, Graham J.; Coles, Simon J.; Millet, Régis; Spencer, John","Synthesis of Bioorganometallic Nanomolar-Potent CB2Agonists Containing a Ferrocene Unit","Organometallics","2016","35","19","3361","","10.1021/acs.organomet.6b00575","","x-ray","0.71075","MoKα","","0.0513","0.0408","","","0.1126","0.1197","","","","","","1.044","","","","has coordinates","237897","2020-10-21","18:00:00",""
"4088950","17.3183","0.0011","7.3202","0.0005","16.8361","0.0011","90","","102.149","0.002","90","","2086.6","0.2","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C25 H26 Fe N2 O2 -","- C25 H26 Fe N2 O2 -","- C100 H104 Fe4 N8 O8 -","4","1","","Sansook, Supojjanee; Tuo, Wei; Lemaire, Lucas; Tourteau, Aurélien; Barczyk, Amélie; Dezitter, Xavier; Klupsch, Frédérique; Leleu-Chavain, Natascha; Tizzard, Graham J.; Coles, Simon J.; Millet, Régis; Spencer, John","Synthesis of Bioorganometallic Nanomolar-Potent CB2Agonists Containing a Ferrocene Unit","Organometallics","2016","35","19","3361","","10.1021/acs.organomet.6b00575","","x-ray","0.71075","MoKα","","0.0492","0.0369","","","0.0897","0.0943","","","","","","1.052","","","","has coordinates,has disorder","237897","2020-10-21","18:00:00",""
"4088951","7.5135","0.0005","10.3652","0.0007","13.7177","0.001","89.835","0.006","85.137","0.006","88.132","0.006","1063.91","0.13","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H27 Fe N3 O3 -","- C26 H27 Fe N3 O3 -","- C52 H54 Fe2 N6 O6 -","2","1","","Sansook, Supojjanee; Tuo, Wei; Lemaire, Lucas; Tourteau, Aurélien; Barczyk, Amélie; Dezitter, Xavier; Klupsch, Frédérique; Leleu-Chavain, Natascha; Tizzard, Graham J.; Coles, Simon J.; Millet, Régis; Spencer, John","Synthesis of Bioorganometallic Nanomolar-Potent CB2Agonists Containing a Ferrocene Unit","Organometallics","2016","35","19","3361","","10.1021/acs.organomet.6b00575","","x-ray","0.71075","MoKα","","0.0425","0.0325","","","0.0788","0.0829","","","","","","1.031","","","","has coordinates","237897","2020-10-21","18:00:00",""
"4088952","12.6473","0.0009","8.816","0.0005","19.3728","0.0014","90","","96.279","0.002","90","","2147.1","0.2","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C27 H28 Fe N2 O2 -","- C27 H28 Fe N2 O2 -","- C108 H112 Fe4 N8 O8 -","4","1","","Sansook, Supojjanee; Tuo, Wei; Lemaire, Lucas; Tourteau, Aurélien; Barczyk, Amélie; Dezitter, Xavier; Klupsch, Frédérique; Leleu-Chavain, Natascha; Tizzard, Graham J.; Coles, Simon J.; Millet, Régis; Spencer, John","Synthesis of Bioorganometallic Nanomolar-Potent CB2Agonists Containing a Ferrocene Unit","Organometallics","2016","35","19","3361","","10.1021/acs.organomet.6b00575","","x-ray","0.71075","MoKα","","0.0486","0.0346","","","0.0798","0.0855","","","","","","1.015","","","","has coordinates","237897","2020-10-21","18:00:00",""
"4088953","12.805","0.0004","6.916","0.0002","21.7943","0.0007","90","","97.946","0.003","90","","1911.56","0.1","183","2","183","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C20 H18 F3 Fe N O2 S -","- C20 H18 F3 Fe N O2 S -","- C80 H72 F12 Fe4 N4 O8 S4 -","4","1","","Hess, Jeannine; Patra, Malay; Pierroz, Vanessa; Spingler, Bernhard; Jabbar, Abdul; Ferrari, Stefano; Gasser, Robin B.; Gasser, Gilles","Synthesis, Characterization, and Biological Activity of Ferrocenyl Analogues of the Anthelmintic Drug Monepantel","Organometallics","2016","35","19","3369","","10.1021/acs.organomet.6b00577","","","0.71073","MoKα","","0.0864","0.0526","","","0.1114","0.131","","","","","","1.025","","","","has coordinates","237899","2020-10-21","18:00:00",""
"4088954","10.6747","0.0004","13.1639","0.0005","14.6246","0.0006","108.022","0.003","91.905","0.003","103.904","0.003","1884.04","0.14","183","2","183","2","","","","","","","","7","P -1","-P 1","2","","","","- C40 H34 F6 Fe2 N2 O3 S2 -","- C40 H34 F6 Fe2 N2 O3 S2 -","- C80 H68 F12 Fe4 N4 O6 S4 -","2","1","","Hess, Jeannine; Patra, Malay; Pierroz, Vanessa; Spingler, Bernhard; Jabbar, Abdul; Ferrari, Stefano; Gasser, Robin B.; Gasser, Gilles","Synthesis, Characterization, and Biological Activity of Ferrocenyl Analogues of the Anthelmintic Drug Monepantel","Organometallics","2016","35","19","3369","","10.1021/acs.organomet.6b00577","","","0.71073","MoKα","","0.0747","0.0486","","","0.0885","0.0999","","","","","","1.022","","","","has coordinates","237899","2020-10-21","18:00:00",""
"4088955","13.8639","0.0005","19.0344","0.0006","9.5549","0.0003","90","","93.22","0.003","90","","2517.47","0.14","183","2","183","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C12 H16 Cl Fe N O -","- C12 H15.835 Cl Fe N O -","- C96 H126.68 Cl8 Fe8 N8 O8 -","8","2","","Hess, Jeannine; Patra, Malay; Pierroz, Vanessa; Spingler, Bernhard; Jabbar, Abdul; Ferrari, Stefano; Gasser, Robin B.; Gasser, Gilles","Synthesis, Characterization, and Biological Activity of Ferrocenyl Analogues of the Anthelmintic Drug Monepantel","Organometallics","2016","35","19","3369","","10.1021/acs.organomet.6b00577","","","0.71073","MoKα","","0.0813","0.0614","","","0.1348","0.1449","","","","","","1.063","","","","has coordinates,has disorder","237899","2020-10-21","18:00:00",""
"4088956","7.6921","0.0002","14.9787","0.0004","11.3445","0.0003","90","","109.567","0.003","90","","1231.6","0.06","100","0.1","100","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H34 Cl4 Ir2 -","- C22 H34 Cl4 Ir2 -","- C44 H68 Cl8 Ir4 -","2","0.5","","Brown, Loren C.; Ressegue, Emily; Merola, Joseph S.","Rapid Access to Derivatized, Dimeric, Ring-Substituted Dichloro(cyclopentadienyl)rhodium(III) and Iridium(III) Complexes","Organometallics","2016","35","24","4014","","10.1021/acs.organomet.6b00580","","x-ray","0.71073","MoKα","","0.0383","0.0294","","","0.0451","0.0479","","","","","","1.029","","","","has coordinates","237902","2020-10-21","18:00:00",""
"4088957","8.7695","0.0003","8.8947","0.0004","9.5445","0.0003","109.693","0.004","100.752","0.003","92.206","0.003","684.49","0.05","99","2","99","2","","","","","","","","4","P -1","-P 1","2","","","","- C26 H42 Cl4 Ir2 -","- C26 H42 Cl4 Ir2 -","- C26 H42 Cl4 Ir2 -","1","0.5","","Brown, Loren C.; Ressegue, Emily; Merola, Joseph S.","Rapid Access to Derivatized, Dimeric, Ring-Substituted Dichloro(cyclopentadienyl)rhodium(III) and Iridium(III) Complexes","Organometallics","2016","35","24","4014","","10.1021/acs.organomet.6b00580","","x-ray","0.71073","MoKα","","0.0311","0.0274","","","0.0608","0.0629","","","","","","1.067","","","","has coordinates","237902","2020-10-21","18:00:00",""
"4088958","7.88539","0.00019","16.9849","0.0005","10.7692","0.0003","90","","97.759","0.002","90","","1429.14","0.07","100","0.1","100","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C26 H42 Cl4 Ir2 -","- C26 H42 Cl4 Ir2 -","- C52 H84 Cl8 Ir4 -","2","0.5","","Brown, Loren C.; Ressegue, Emily; Merola, Joseph S.","Rapid Access to Derivatized, Dimeric, Ring-Substituted Dichloro(cyclopentadienyl)rhodium(III) and Iridium(III) Complexes","Organometallics","2016","35","24","4014","","10.1021/acs.organomet.6b00580","","x-ray","0.71073","MoKα","","0.048","0.0346","","","0.0605","0.0649","","","","","","1.032","","","","has coordinates","237902","2020-10-21","18:00:00",""
"4088959","13.3996","0.0002","12.5223","0.00017","17.368","0.0003","90","","100.583","0.0015","90","","2864.67","0.08","100.1","0.3","100.1","0.3","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C26 H42 Cl4 Ir2 -","- C26 H42 Cl4 Ir2 -","- C104 H168 Cl16 Ir8 -","4","1","","Brown, Loren C.; Ressegue, Emily; Merola, Joseph S.","Rapid Access to Derivatized, Dimeric, Ring-Substituted Dichloro(cyclopentadienyl)rhodium(III) and Iridium(III) Complexes","Organometallics","2016","35","24","4014","","10.1021/acs.organomet.6b00580","","x-ray","0.71073","MoKα","","0.0411","0.031","","","0.0615","0.0651","","","","","","1.055","","","","has coordinates","237902","2020-10-21","18:00:00",""
"4088960","11.8539","0.0003","9.6544","0.0003","17.4993","0.0005","90","","101.795","0.003","90","","1960.37","0.1","100.1","0.7","100.1","0.7","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C30 H48 Cl10 Ir2 -","- C30 H48 Cl10 Ir2 -","- C60 H96 Cl20 Ir4 -","2","0.5","","Brown, Loren C.; Ressegue, Emily; Merola, Joseph S.","Rapid Access to Derivatized, Dimeric, Ring-Substituted Dichloro(cyclopentadienyl)rhodium(III) and Iridium(III) Complexes","Organometallics","2016","35","24","4014","","10.1021/acs.organomet.6b00580","","x-ray","0.71073","MoKα","","0.0456","0.0334","","","0.0578","0.0623","","","","","","1.028","","","","has coordinates","237902","2020-10-21","18:00:00",""
"4088961","8.24614","0.00013","14.78789","0.00019","14.1153","0.0002","90","","105.581","0.0017","90","","1658.01","0.04","100","0.1","100","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C34 H42 Cl4 Ir2 -","- C34 H42 Cl4 Ir2 -","- C68 H84 Cl8 Ir4 -","2","0.5","","Brown, Loren C.; Ressegue, Emily; Merola, Joseph S.","Rapid Access to Derivatized, Dimeric, Ring-Substituted Dichloro(cyclopentadienyl)rhodium(III) and Iridium(III) Complexes","Organometallics","2016","35","24","4014","","10.1021/acs.organomet.6b00580","","x-ray","0.71073","MoKα","","0.0327","0.0269","","","0.0568","0.0591","","","","","","1.059","","","","has coordinates","237902","2020-10-21","18:00:00",""
"4088962","8.2486","0.0002","8.8636","0.0003","10.6121","0.0003","99.228","0.002","109.651","0.002","96.017","0.002","710.63","0.04","100.2","0.8","100.2","0.8","","","","","","","","4","P -1","-P 1","2","","","","- C28 H42 Cl4 Ir2 -","- C28 H42 Cl4 Ir2 -","- C28 H42 Cl4 Ir2 -","1","0.5","","Brown, Loren C.; Ressegue, Emily; Merola, Joseph S.","Rapid Access to Derivatized, Dimeric, Ring-Substituted Dichloro(cyclopentadienyl)rhodium(III) and Iridium(III) Complexes","Organometallics","2016","35","24","4014","","10.1021/acs.organomet.6b00580","","x-ray","0.71073","MoKα","","0.0179","0.0169","","","0.041","0.0415","","","","","","1.105","","","","has coordinates","237902","2020-10-21","18:00:00",""
"4088963","13.7499","0.0004","9.1382","0.0002","19.8007","0.0005","90","","94.413","0.002","90","","2480.57","0.11","99.9","0.14","99.9","0.14","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H34 Cl4 Rh2 -","- C22 H34 Cl4 Rh2 -","- C88 H136 Cl16 Rh8 -","4","1","","Brown, Loren C.; Ressegue, Emily; Merola, Joseph S.","Rapid Access to Derivatized, Dimeric, Ring-Substituted Dichloro(cyclopentadienyl)rhodium(III) and Iridium(III) Complexes","Organometallics","2016","35","24","4014","","10.1021/acs.organomet.6b00580","","x-ray","0.71073","MoKα","","0.0528","0.0375","","","0.0732","0.0799","","","","","","1.052","","","","has coordinates,has disorder","237902","2020-10-21","18:00:00",""
"4088964","8.7683","0.0005","9.0638","0.0006","10.9372","0.0006","81.339","0.005","84.115","0.005","71.983","0.006","815.73","0.09","100","0.1","100","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C26 H42 Cl8 Rh2 -","- C26 H42 Cl8 Rh2 -","- C26 H42 Cl8 Rh2 -","1","0.5","","Brown, Loren C.; Ressegue, Emily; Merola, Joseph S.","Rapid Access to Derivatized, Dimeric, Ring-Substituted Dichloro(cyclopentadienyl)rhodium(III) and Iridium(III) Complexes","Organometallics","2016","35","24","4014","","10.1021/acs.organomet.6b00580","","x-ray","0.71073","MoKα","","0.0437","0.0354","","","0.0654","0.0702","","","","","","1.043","","","","has coordinates","237902","2020-10-21","18:00:00",""
"4088965","8.82203","0.00014","8.85285","0.00013","17.2213","0.0003","90","","103.678","0.0016","90","","1306.84","0.04","100","0.1","100","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H38 Cl4 Rh2 -","- C24 H38 Cl4 Rh2 -","- C48 H76 Cl8 Rh4 -","2","0.5","","Brown, Loren C.; Ressegue, Emily; Merola, Joseph S.","Rapid Access to Derivatized, Dimeric, Ring-Substituted Dichloro(cyclopentadienyl)rhodium(III) and Iridium(III) Complexes","Organometallics","2016","35","24","4014","","10.1021/acs.organomet.6b00580","","x-ray","0.71073","MoKα","","0.0274","0.0224","","","0.0433","0.045","","","","","","1.06","","","","has coordinates","237902","2020-10-21","18:00:00",""
"4088966","8.5876","0.0005","8.7956","0.0004","9.9373","0.0005","74.904","0.004","76.432","0.005","82.203","0.004","702.24","0.07","100","0.1","100","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C26 H42 Cl4 Rh2 -","- C26 H42 Cl4 Rh2 -","- C26 H42 Cl4 Rh2 -","1","0.5","","Brown, Loren C.; Ressegue, Emily; Merola, Joseph S.","Rapid Access to Derivatized, Dimeric, Ring-Substituted Dichloro(cyclopentadienyl)rhodium(III) and Iridium(III) Complexes","Organometallics","2016","35","24","4014","","10.1021/acs.organomet.6b00580","","x-ray","0.71073","MoKα","","0.0393","0.0328","","","0.0786","0.0798","","","","","","1.075","","","","has coordinates","237902","2020-10-21","18:00:00",""
"4088967","7.92156","0.0001","16.4923","0.0002","10.8961","0.00013","90","","96.935","0.0011","90","","1413.1","0.03","99.95","0.1","99.95","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C26 H42 Cl4 Rh2 -","- C26 H42 Cl4 Rh2 -","- C52 H84 Cl8 Rh4 -","2","0.5","","Brown, Loren C.; Ressegue, Emily; Merola, Joseph S.","Rapid Access to Derivatized, Dimeric, Ring-Substituted Dichloro(cyclopentadienyl)rhodium(III) and Iridium(III) Complexes","Organometallics","2016","35","24","4014","","10.1021/acs.organomet.6b00580","","x-ray","0.71073","MoKα","","0.0244","0.0208","","","0.0431","0.0443","","","","","","1.099","","","","has coordinates","237902","2020-10-21","18:00:00",""
"4088968","11.8669","0.0003","9.642","0.0002","17.4793","0.0005","90","","102.531","0.003","90","","1952.35","0.09","100","0.1","100","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C30 H48 Cl10 Rh2 -","- C30 H48 Cl10 Rh2 -","- C60 H96 Cl20 Rh4 -","2","0.5","","Brown, Loren C.; Ressegue, Emily; Merola, Joseph S.","Rapid Access to Derivatized, Dimeric, Ring-Substituted Dichloro(cyclopentadienyl)rhodium(III) and Iridium(III) Complexes","Organometallics","2016","35","24","4014","","10.1021/acs.organomet.6b00580","","x-ray","0.71073","MoKα","","0.0469","0.0348","","","0.0648","0.0698","","","","","","1.037","","","","has coordinates","237902","2020-10-21","18:00:00",""
"4088969","18.1142","0.0005","8.8782","0.00017","20.4175","0.0004","90","","90.055","0.002","90","","3283.57","0.13","99.95","0.1","99.95","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C30 H50 Cl4 Rh2 -","- C30 H50 Cl4 Rh2 -","- C120 H200 Cl16 Rh8 -","4","1","","Brown, Loren C.; Ressegue, Emily; Merola, Joseph S.","Rapid Access to Derivatized, Dimeric, Ring-Substituted Dichloro(cyclopentadienyl)rhodium(III) and Iridium(III) Complexes","Organometallics","2016","35","24","4014","","10.1021/acs.organomet.6b00580","","x-ray","0.71073","MoKα","","0.0412","0.0335","","","0.0639","0.0673","","","","","","1.081","","","","has coordinates,has disorder","237902","2020-10-21","18:00:00",""
"4088970","8.6517","0.0003","8.7062","0.0003","20.4873","0.0006","90","","90.354","0.003","90","","1543.14","0.09","99.95","0.1","99.95","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C32 H38 Cl4 Rh2 -","- C32 H38 Cl4 Rh2 -","- C64 H76 Cl8 Rh4 -","2","0.5","","Brown, Loren C.; Ressegue, Emily; Merola, Joseph S.","Rapid Access to Derivatized, Dimeric, Ring-Substituted Dichloro(cyclopentadienyl)rhodium(III) and Iridium(III) Complexes","Organometallics","2016","35","24","4014","","10.1021/acs.organomet.6b00580","","x-ray","0.71073","MoKα","","0.0476","0.0357","","","0.1043","0.1214","","","","","","0.802","","","","has coordinates","237902","2020-10-21","18:00:00",""
"4088971","8.19747","0.00019","14.7032","0.0003","14.0876","0.0003","90","","105.933","0.002","90","","1632.73","0.06","126","30","126","30","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C34 H42 Cl4 Rh2 -","- C34 H42 Cl4 Rh2 -","- C68 H84 Cl8 Rh4 -","2","0.5","","Brown, Loren C.; Ressegue, Emily; Merola, Joseph S.","Rapid Access to Derivatized, Dimeric, Ring-Substituted Dichloro(cyclopentadienyl)rhodium(III) and Iridium(III) Complexes","Organometallics","2016","35","24","4014","","10.1021/acs.organomet.6b00580","","x-ray","0.71073","MoKα","","0.0367","0.0286","","","0.0565","0.0595","","","","","","1.094","","","","has coordinates","237902","2020-10-21","18:00:00",""
"4088972","10.6334","0.0003","19.1231","0.0004","8.762","0.0002","90","","107.806","0.003","90","","1696.35","0.08","100","0.1","100","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C30 H46 Cl4 Rh2 -","- C30 H46 Cl4 Rh2 -","- C60 H92 Cl8 Rh4 -","2","0.5","","Brown, Loren C.; Ressegue, Emily; Merola, Joseph S.","Rapid Access to Derivatized, Dimeric, Ring-Substituted Dichloro(cyclopentadienyl)rhodium(III) and Iridium(III) Complexes","Organometallics","2016","35","24","4014","","10.1021/acs.organomet.6b00580","","x-ray","0.71073","MoKα","","0.0424","0.0347","","","0.0713","0.0736","","","","","","1.081","","","","has coordinates,has disorder","237902","2020-10-21","18:00:00",""
"4088973","8.2629","0.0003","8.7503","0.0003","10.5777","0.0003","99.237","0.003","109.338","0.003","96.151","0.003","701.66","0.04","100.15","0.1","100.15","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C28 H42 Cl4 Rh2 -","- C28 H42 Cl4 Rh2 -","- C28 H42 Cl4 Rh2 -","1","0.5","","Brown, Loren C.; Ressegue, Emily; Merola, Joseph S.","Rapid Access to Derivatized, Dimeric, Ring-Substituted Dichloro(cyclopentadienyl)rhodium(III) and Iridium(III) Complexes","Organometallics","2016","35","24","4014","","10.1021/acs.organomet.6b00580","","x-ray","0.71073","MoKα","","0.036","0.0305","","","0.0639","0.0668","","","","","","1.026","","","","has coordinates","237902","2020-10-21","18:00:00",""
"4088974","8.743","0.0002","24.9855","0.0007","23.0492","0.0007","90","","97.036","0.001","90","","4997.1","0.2","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","formate","","","- C45 H32 F20 N6 O6 Re2 -","- C45 H32 F20 N6 O6 Re2 -","- C180 H128 F80 N24 O24 Re8 -","4","1","","Lambic, Nikola S.; Lilly, Cassandra P.; Sommer, Roger D.; Ison, Elon A.","Mechanism for the Reaction of CO with Oxorhenium Hydrides: Migratory Insertion of CO into Rhenium Hydride and Formyl Bonds leads to Migration from Rhenium to the Oxo Ligand","Organometallics","2016","35","17","3060","","10.1021/acs.organomet.6b00591","","","0.71073","MoKα","","0.0541","0.0427","","","0.0797","0.0824","","","","","","1.267","","","","has coordinates,has disorder","237904","2020-10-21","18:00:00",""
"4088975","12.9074","0.0005","12.9602","0.0004","15.8333","0.0006","83.298","0.002","86.298","0.002","60.308","0.002","2285.08","0.15","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C95 H154 N2 O4 P4 Zr2 -","- C90 H142 N2 O4 P4 Zr2 -","- C90 H142 N2 O4 P4 Zr2 -","1","0.5","","Kurogi, Takashi; Kamitani, Masahiro; Manor, Brian C.; Carroll, Patrick J.; Mindiola, Daniel J.","Reactivity Studies of a Zirconium Methylidene Complex: Group Transfer and Methylenation Reactions","Organometallics","2016","36","1","74","","10.1021/acs.organomet.6b00594","","","0.71073","MoKα","","0.0399","0.0357","","","0.0955","0.0986","","","","","","1.085","","","","has coordinates,has disorder","237905","2020-10-21","18:00:00",""
"4088976","12.071","0.003","17.963","0.004","17.976","0.005","90","","90.045","0.011","90","","3897.8","1.7","100","","100","","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C38 H57 Cl2 N O P2 Zr -","- C38 H57 Cl2 N O P2 Zr -","- C152 H228 Cl8 N4 O4 P8 Zr4 -","4","2","","Kurogi, Takashi; Kamitani, Masahiro; Manor, Brian C.; Carroll, Patrick J.; Mindiola, Daniel J.","Reactivity Studies of a Zirconium Methylidene Complex: Group Transfer and Methylenation Reactions","Organometallics","2016","36","1","74","","10.1021/acs.organomet.6b00594","","","0.71073","MoKα","","0.0301","0.0272","","","0.0522","0.0532","","","","","","1.062","","","","has coordinates,has disorder","288221","2023-12-11","22:20:44",""
"4088977","31.3061","0.0015","10.346","0.0005","16.5525","0.0009","90","","90","","90","","5361.2","0.5","100","1","100","1","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C57 H81 N O2 P2 Zr -","- C57 H81 N O2 P2 Zr -","- C228 H324 N4 O8 P8 Zr4 -","4","1","","Kurogi, Takashi; Kamitani, Masahiro; Manor, Brian C.; Carroll, Patrick J.; Mindiola, Daniel J.","Reactivity Studies of a Zirconium Methylidene Complex: Group Transfer and Methylenation Reactions","Organometallics","2016","36","1","74","","10.1021/acs.organomet.6b00594","","","0.71073","MoKα","","0.089","0.0552","","","0.118","0.1343","","","","","","1.024","","","","has coordinates,has disorder","237905","2020-10-21","18:00:00",""
"4088978","25.6189","0.0016","11.1698","0.0006","26.15","0.0016","90","","110.045","0.003","90","","7029.7","0.7","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","mn2_020","mn2_020","","- C34 H31 Cl2 N6 P Ru -","- C34 H31 Cl2 N6 P Ru -","- C272 H248 Cl16 N48 P8 Ru8 -","8","2","","Norris, Michael R.; Flowers, Sarah E.; Mathews, Ashley M.; Cossairt, Brandi M.","H2 Production Mediated by CO2 via Initial Reduction to Formate","Organometallics","2016","35","17","2778","","10.1021/acs.organomet.6b00595","","","0.71073","MoKα","","0.104","0.0658","","","0.1329","0.1439","","","","","","1.037","","","","has coordinates","251896","2020-10-21","18:00:00",""
"4088979","27.5062","0.0015","12.3658","0.0006","24.5908","0.0013","90","","110.471","0.005","90","","7836","0.8","100","2","100","2","","","","","","","synthesis as described","8","C 1 2/c 1","-C 2yc","15","sef2_142","sef2_142_0ma","","- C71 H67 Cl4 F18 N12 O2 P5 Ru2 -","- C71 H67 Cl4 F18 N12 O2 P5 Ru2 -","- C284 H268 Cl16 F72 N48 O8 P20 Ru8 -","4","0.5","","Norris, Michael R.; Flowers, Sarah E.; Mathews, Ashley M.; Cossairt, Brandi M.","H2 Production Mediated by CO2 via Initial Reduction to Formate","Organometallics","2016","35","17","2778","","10.1021/acs.organomet.6b00595","","x-ray","0.71073","MoKα","","0.0651","0.0544","","","0.1162","0.1209","","","","","","1.085","","","","has coordinates,has disorder","237907","2020-10-21","18:00:00",""
"4088980","12.7105","0.001","25.453","0.002","12.529","0.0009","90","","94.334","0.004","90","","4041.8","0.5","100","2","100","2","","","","","","","synthesis as described","8","P 1 21/c 1","-P 2ybc","14","mn_carbamate","mn_carbamate_0ma","","- C39 H42 F6 N6 O4 P2 Ru S2 -","- C39 H42 F6 N6 O4 P2 Ru S2 -","- C156 H168 F24 N24 O16 P8 Ru4 S8 -","4","1","","Norris, Michael R.; Flowers, Sarah E.; Mathews, Ashley M.; Cossairt, Brandi M.","H2 Production Mediated by CO2 via Initial Reduction to Formate","Organometallics","2016","35","17","2778","","10.1021/acs.organomet.6b00595","","x-ray","0.71073","MoKα","","0.0702","0.049","","","0.1255","0.1387","","","","","","1.048","","","","has coordinates","237907","2020-10-21","18:00:00",""
"4088981","9.9841","0.0002","11.0287","0.0002","13.6068","0.0003","81.4675","0.0007","75.3722","0.0007","64.057","0.0007","1302.38","0.05","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C31 H28 Fe N O4 P -","- C31 H28 Fe N O4 P -","- C62 H56 Fe2 N2 O8 P2 -","2","1","","Škoch, Karel; Císařová, Ivana; Štěpnička, Petr","Synthesis of a Polar Phosphinoferrocene Amidosulfonate Ligand and Its Application in Pd-Catalyzed Cross-Coupling Reactions of Aromatic Boronic Acids and Acyl Chlorides in an Aqueous Medium","Organometallics","2016","35","19","3378","","10.1021/acs.organomet.6b00600","","","0.71073","MoKα","","0.0309","0.0274","","","0.0706","0.0728","","","","","","1.083","","","","has coordinates","288246","2023-12-12","10:54:35",""
"4088982","11.5169","0.0002","13.5786","0.0002","25.1951","0.0004","90","","97.0534","0.0006","90","","3910.28","0.11","150","2","150","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C84 H92 Fe2 N4 O11 P2 Pd2 S2 -","- C80 H82 Fe2 N4 O10 P2 Pd2 S2 -","- C160 H164 Fe4 N8 O20 P4 Pd4 S4 -","2","0.5","","Škoch, Karel; Císařová, Ivana; Štěpnička, Petr","Synthesis of a Polar Phosphinoferrocene Amidosulfonate Ligand and Its Application in Pd-Catalyzed Cross-Coupling Reactions of Aromatic Boronic Acids and Acyl Chlorides in an Aqueous Medium","Organometallics","2016","35","19","3378","","10.1021/acs.organomet.6b00600","","","0.71073","MoKα","","0.027","0.0236","","","0.0591","0.0604","","","","","","1.049","","","","has coordinates","288246","2023-12-12","10:54:35",""
"4088983","9.3658","0.0002","14.7653","0.0003","40.8371","0.0009","90","","90","","90","","5647.3","0.2","100.15","","100.15","","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C25 H42 I Ir N O6 P -","- C25 H42 I Ir N O6 P -","- C200 H336 I8 Ir8 N8 O48 P8 -","8","1","","Gregor, Lauren C.; Grajeda, Javier; Kita, Matthew R.; White, Peter S.; Vetter, Andrew J.; Miller, Alexander J. M.","Modulating the Elementary Steps of Methanol Carbonylation by Bridging the Primary and Secondary Coordination Spheres","Organometallics","2016","35","17","3074","","10.1021/acs.organomet.6b00607","","","1.54178","CuKα","","0.0294","0.0284","","","0.0699","0.0705","","","","","","1.172","","","","has coordinates","237909","2020-10-21","18:00:00",""
"4088984","18.127","0.002","7.9807","0.0011","19.276","0.003","90","","102.644","0.007","90","","2721","0.6","100","","100","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C25 H41 Ir N O7 P -","- C25 H41 Ir N O7 P -","- C100 H164 Ir4 N4 O28 P4 -","4","1","","Gregor, Lauren C.; Grajeda, Javier; Kita, Matthew R.; White, Peter S.; Vetter, Andrew J.; Miller, Alexander J. M.","Modulating the Elementary Steps of Methanol Carbonylation by Bridging the Primary and Secondary Coordination Spheres","Organometallics","2016","35","17","3074","","10.1021/acs.organomet.6b00607","","","1.54178","CuKα","","0.0284","0.0265","","","0.0626","0.0637","","","","","","1.08","","","","has coordinates,has disorder","237909","2020-10-21","18:00:00",""
"4088985","18.2346","0.0007","17.6765","0.0006","37.7548","0.0014","90","","90","","90","","12169.3","0.8","100","","100","","","","","","","","","8","P b c a","-P 2ac 2ab","61","","","","- C58 H54 B F24 Ir N O7 P -","- C58 H54 B F24 Ir N O7 P -","- C464 H432 B8 F192 Ir8 N8 O56 P8 -","8","1","","Gregor, Lauren C.; Grajeda, Javier; Kita, Matthew R.; White, Peter S.; Vetter, Andrew J.; Miller, Alexander J. M.","Modulating the Elementary Steps of Methanol Carbonylation by Bridging the Primary and Secondary Coordination Spheres","Organometallics","2016","35","17","3074","","10.1021/acs.organomet.6b00607","","","1.54178","CuKα","","0.0756","0.048","","","0.0994","0.1097","","","","","","1.07","","","","has coordinates,has disorder","237909","2020-10-21","18:00:00",""
"4088986","9.0753","0.0003","9.9531","0.0003","10.7614","0.0003","100.763","0.0007","94.6827","0.001","100.088","0.001","933.59","0.05","296","","296","","","","","","","","","6","P -1","-P 1","2","","","","- C42 H31 As2 Br2 Cl Pt -","- C42 H26 As2 Br2 Cl Pt -","- C42 H26 As2 Br2 Cl Pt -","1","0.5","","Imoto, Hiroaki; Tanaka, Susumu; Kato, Takuji; Yumura, Takashi; Watase, Seiji; Matsukawa, Kimihiro; Naka, Kensuke","Molecular Shape Recognition by Using a Switchable Luminescent Nonporous Molecular Crystal","Organometallics","2016","35","21","3647","","10.1021/acs.organomet.6b00614","","","0.71075","MoKα","","0.0476","0.04","","","0.0993","0.1181","","","","","","1.139","","","","has coordinates","237911","2020-10-21","18:00:00",""
"4088987","11.092","0.003","15.327","0.004","15.563","0.004","60.772","0.006","71.684","0.006","78.348","0.006","2188.2","1","173","2","173","2","","","","","","","","9","P -1","-P 1","2","","","","- C76 H86 B2 Cl8 Cu2 F8 Fe6 N6 S6 -","- C76 H86 B2 Cl8 Cu2 F8 Fe6 N6 S6 -","- C76 H86 B2 Cl8 Cu2 F8 Fe6 N6 S6 -","1","0.5","","Kienz, Torben; Förster, Christoph; Heinze, Katja","Generation and Oligomerization ofN-Ferrocenyl Ketenimines via Open-Shell Intermediates","Organometallics","2016","35","21","3681","","10.1021/acs.organomet.6b00619","","","0.71073","MoKα","","0.2343","0.0786","","","0.1278","0.1684","","","","","","0.808","","","","has coordinates,has disorder","237913","2020-10-21","18:00:00",""
"4088988","9.754","0.0017","12.461","0.003","16.332","0.003","109.71","0.005","106.676","0.004","90.193","0.004","1779.1","0.6","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C72 H72 Ag6 Fe6 N6 S6 -","- C72 H72 Ag6 Fe6 N6 S6 -","- C72 H72 Ag6 Fe6 N6 S6 -","1","0.5","","Kienz, Torben; Förster, Christoph; Heinze, Katja","Generation and Oligomerization ofN-Ferrocenyl Ketenimines via Open-Shell Intermediates","Organometallics","2016","35","21","3681","","10.1021/acs.organomet.6b00619","","","0.71073","MoKα","","0.104","0.0561","","","0.0973","0.1156","","","","","","1.016","","","","has coordinates","237914","2020-10-21","18:00:00",""
"4088989","9.6219","0.0008","13.1","0.0011","17.2736","0.0015","104.403","0.002","92.447","0.002","96.711","0.002","2088.6","0.3","173","2","173","2","","","","","","","","8","P -1","-P 1","2","","","","- C37 H39 Cl2 F12 Fe3 N3 S Sb2 -","- C37 H39 Cl2 F12 Fe3 N3 S Sb2 -","- C74 H78 Cl4 F24 Fe6 N6 S2 Sb4 -","2","1","","Kienz, Torben; Förster, Christoph; Heinze, Katja","Generation and Oligomerization ofN-Ferrocenyl Ketenimines via Open-Shell Intermediates","Organometallics","2016","35","21","3681","","10.1021/acs.organomet.6b00619","","","0.71073","MoKα","","0.1114","0.0556","","","0.1172","0.1329","","","","","","0.883","","","","has coordinates,has disorder","237915","2020-10-21","18:00:00",""
"4088990","11.169","0.003","17.028","0.004","18.824","0.004","79.872","0.004","89.316","0.004","83.876","0.004","3504.1","1.5","250","2","250","2","","","","","","","","7","P -1","-P 1","2","","","","- C46 H114 B22 Li2 O8 P2 Pd -","- C45.996 H113.992 B22 Li2 O7.999 P2 Pd -","- C91.992 H227.984 B44 Li4 O15.998 P4 Pd2 -","2","1","","Chan, Allen L.; Estrada, Jess; Kefalidis, Christos E.; Lavallo, Vincent","Changing the Charge: Electrostatic Effects in Pd-Catalyzed Cross-Coupling","Organometallics","2016","35","19","3257","","10.1021/acs.organomet.6b00622","","","0.71073","MoKα","","0.081","0.0484","","","0.1008","0.1135","","","","","","1.015","","","","has coordinates,has disorder","237916","2020-10-21","18:00:00",""
"4088991","13.7415","0.001","22.9967","0.0017","41.383","0.003","90","","90","","90","","13077.4","1.7","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C16 H50 B20 P2 Pd -","- C16 H50 B20 P2 Pd -","- C256 H800 B320 P32 Pd16 -","16","2","","Chan, Allen L.; Estrada, Jess; Kefalidis, Christos E.; Lavallo, Vincent","Changing the Charge: Electrostatic Effects in Pd-Catalyzed Cross-Coupling","Organometallics","2016","35","19","3257","","10.1021/acs.organomet.6b00622","","","0.71073","MoKα","","0.1116","0.0718","","","0.1329","0.1449","","","","","","1.156","","","","has coordinates,has disorder","237916","2020-10-21","18:00:00",""
"4088992","19.1204","0.0004","16.5121","0.0004","19.7932","0.0004","90","","115.827","0.0007","90","","5624.8","0.2","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C36 H93 B22 Li O4 P2 Pd -","- C36 H93 B22 Li O4 P2 Pd -","- C144 H372 B88 Li4 O16 P8 Pd4 -","4","1","","Chan, Allen L.; Estrada, Jess; Kefalidis, Christos E.; Lavallo, Vincent","Changing the Charge: Electrostatic Effects in Pd-Catalyzed Cross-Coupling","Organometallics","2016","35","19","3257","","10.1021/acs.organomet.6b00622","","","0.71073","MoKα","","0.0485","0.0382","","","0.1006","0.1085","","","","","","1.057","","","","has coordinates,has disorder","237916","2020-10-21","18:00:00",""
"4088993","20.296","0.003","8.3209","0.0011","59.641","0.007","90","","93.7182","0.0018","90","","10051","2","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C30 H81 B22 Li O4 P2 Pd -","- C30 H81 B22 Li O4 P2 Pd -","- C240 H648 B176 Li8 O32 P16 Pd8 -","8","2","","Chan, Allen L.; Estrada, Jess; Kefalidis, Christos E.; Lavallo, Vincent","Changing the Charge: Electrostatic Effects in Pd-Catalyzed Cross-Coupling","Organometallics","2016","35","19","3257","","10.1021/acs.organomet.6b00622","","","0.71073","MoKα","","0.13","0.081","","","0.1612","0.1776","","","","","","1.084","","","","has coordinates,has disorder","237916","2020-10-21","18:00:00",""
"4088994","12.4191","0.0002","13.0158","0.0002","15.878","0.0003","106.25","0.001","105.633","0.001","92.883","0.001","2350.87","0.07","223","2","223","2","","","","","","","","5","P -1","-P 1","2","","","","- C46 H38 B F10 P -","- C46 H38 B F10 P -","- C92 H76 B2 F20 P2 -","2","1","","Özgün, Thomas; Chen, Guo-Qiang; Daniliuc, Constantin G.; McQuilken, Alison C.; Warren, Timothy H.; Knitsch, Robert; Eckert, Hellmut; Kehr, Gerald; Erker, Gerhard","Unsaturated Vicinal Frustrated Lewis Pair Formation by Electrocyclic Ring Closure and Their Reaction with Nitric Oxide","Organometallics","2016","35","21","3667","","10.1021/acs.organomet.6b00627","","","0.71073","MoKα","","0.0909","0.0708","","","0.1783","0.1919","","","","","","1.054","","","","has coordinates","237918","2020-10-21","18:00:00",""
"4088995","12.7265","0.0003","13.067","0.0003","15.1809","0.0006","103.041","0.001","98.995","0.001","102.917","0.002","2339.66","0.12","223","2","223","2","","","","","","","","5","P -1","-P 1","2","","","","- C44 H42 B F10 P -","- C44 H42 B F10 P -","- C88 H84 B2 F20 P2 -","2","1","","Özgün, Thomas; Chen, Guo-Qiang; Daniliuc, Constantin G.; McQuilken, Alison C.; Warren, Timothy H.; Knitsch, Robert; Eckert, Hellmut; Kehr, Gerald; Erker, Gerhard","Unsaturated Vicinal Frustrated Lewis Pair Formation by Electrocyclic Ring Closure and Their Reaction with Nitric Oxide","Organometallics","2016","35","21","3667","","10.1021/acs.organomet.6b00627","","","0.71073","MoKα","","0.1283","0.0879","","","0.213","0.2332","","","","","","1.084","","","","has coordinates,has disorder","237918","2020-10-21","18:00:00",""
"4088996","14.4106","0.0007","21.707","0.0009","14.517","0.0005","90","","108.803","0.001","90","","4298.7","0.3","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C51 H50 B F10 P -","- C51 H50 B F10 P -","- C204 H200 B4 F40 P4 -","4","1","","Özgün, Thomas; Chen, Guo-Qiang; Daniliuc, Constantin G.; McQuilken, Alison C.; Warren, Timothy H.; Knitsch, Robert; Eckert, Hellmut; Kehr, Gerald; Erker, Gerhard","Unsaturated Vicinal Frustrated Lewis Pair Formation by Electrocyclic Ring Closure and Their Reaction with Nitric Oxide","Organometallics","2016","35","21","3667","","10.1021/acs.organomet.6b00627","","","0.71073","MoKα","","0.0925","0.05","","","0.0892","0.1032","","","","","","1.027","","","","has coordinates,has disorder","237918","2020-10-21","18:00:00",""
"4088997","13.8302","0.0003","23.4539","0.0005","14.8556","0.0003","90","","108.613","0.001","90","","4566.7","0.17","223","2","223","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C46 H36 B F10 P -","- C46 H36 B F10 P -","- C184 H144 B4 F40 P4 -","4","1","","Özgün, Thomas; Chen, Guo-Qiang; Daniliuc, Constantin G.; McQuilken, Alison C.; Warren, Timothy H.; Knitsch, Robert; Eckert, Hellmut; Kehr, Gerald; Erker, Gerhard","Unsaturated Vicinal Frustrated Lewis Pair Formation by Electrocyclic Ring Closure and Their Reaction with Nitric Oxide","Organometallics","2016","35","21","3667","","10.1021/acs.organomet.6b00627","","","0.71073","MoKα","","0.1578","0.1065","","","0.2094","0.2344","","","","","","1.046","","","","has coordinates","237918","2020-10-21","18:00:00",""
"4088998","14.225","0.0007","11.9311","0.0005","15.3276","0.0007","90","","105.716","0.002","90","","2504.1","0.2","100","2","100","2","","","","","","","","5","P 1 n 1","P -2yac","7","","","","- C61 H52 B F10 P -","- C61 H52 B F10 P -","- C122 H104 B2 F20 P2 -","2","1","","Özgün, Thomas; Chen, Guo-Qiang; Daniliuc, Constantin G.; McQuilken, Alison C.; Warren, Timothy H.; Knitsch, Robert; Eckert, Hellmut; Kehr, Gerald; Erker, Gerhard","Unsaturated Vicinal Frustrated Lewis Pair Formation by Electrocyclic Ring Closure and Their Reaction with Nitric Oxide","Organometallics","2016","35","21","3667","","10.1021/acs.organomet.6b00627","","","0.71073","MoKα","","0.0505","0.0389","","","0.0796","0.0845","","","","","","1.042","","","","has coordinates","237918","2020-10-21","18:00:00",""
"4088999","11.7476","0.0003","13.4169","0.0003","15.7177","0.0005","106.742","0.001","103.703","0.001","107.436","0.001","2116.99","0.1","223","2","223","2","","","","","","","","6","P -1","-P 1","2","","","","- C47 H40 B Cl2 F10 P -","- C47 H40 B Cl2 F10 P -","- C94 H80 B2 Cl4 F20 P2 -","2","1","","Özgün, Thomas; Chen, Guo-Qiang; Daniliuc, Constantin G.; McQuilken, Alison C.; Warren, Timothy H.; Knitsch, Robert; Eckert, Hellmut; Kehr, Gerald; Erker, Gerhard","Unsaturated Vicinal Frustrated Lewis Pair Formation by Electrocyclic Ring Closure and Their Reaction with Nitric Oxide","Organometallics","2016","35","21","3667","","10.1021/acs.organomet.6b00627","","","0.71073","MoKα","","0.1285","0.0857","","","0.1501","0.1776","","","","","","1.092","","","","has coordinates,has disorder","237918","2020-10-21","18:00:00",""
"4089000","14.9814","0.0007","16.7671","0.0007","19.0481","0.0008","90","","100.821","0.001","90","","4699.7","0.4","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C52 H44 B F10 O4 P -","- C52 H44 B F10 O4 P -","- C208 H176 B4 F40 O16 P4 -","4","1","","Özgün, Thomas; Chen, Guo-Qiang; Daniliuc, Constantin G.; McQuilken, Alison C.; Warren, Timothy H.; Knitsch, Robert; Eckert, Hellmut; Kehr, Gerald; Erker, Gerhard","Unsaturated Vicinal Frustrated Lewis Pair Formation by Electrocyclic Ring Closure and Their Reaction with Nitric Oxide","Organometallics","2016","35","21","3667","","10.1021/acs.organomet.6b00627","","","0.71073","MoKα","","0.0669","0.0487","","","0.1051","0.1116","","","","","","1.066","","","","has coordinates","237918","2020-10-21","18:00:00",""
"4089001","15.1886","0.0015","16.7463","0.0017","18.9288","0.0018","90","","103.662","0.005","90","","4678.4","0.8","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C52 H42 B F10 O4 P -","- C52 H42 B F10 O4 P -","- C208 H168 B4 F40 O16 P4 -","4","1","","Özgün, Thomas; Chen, Guo-Qiang; Daniliuc, Constantin G.; McQuilken, Alison C.; Warren, Timothy H.; Knitsch, Robert; Eckert, Hellmut; Kehr, Gerald; Erker, Gerhard","Unsaturated Vicinal Frustrated Lewis Pair Formation by Electrocyclic Ring Closure and Their Reaction with Nitric Oxide","Organometallics","2016","35","21","3667","","10.1021/acs.organomet.6b00627","","","1.54178","CuKα","","0.0669","0.0481","","","0.1159","0.1226","","","","","","1.07","","","","has coordinates","237918","2020-10-21","18:00:00",""
"4089002","12.6441","0.0002","14.5097","0.0002","15.1347","0.0003","112.29","0.001","96.698","0.001","108.846","0.002","2338.99","0.08","223","2","223","2","","","","","","","","8","P -1","-P 1","2","","","","- C48 H42 B Cl4 F10 N O P -","- C48 H42 B Cl4 F10 N O P -","- C96 H84 B2 Cl8 F20 N2 O2 P2 -","2","1","","Özgün, Thomas; Chen, Guo-Qiang; Daniliuc, Constantin G.; McQuilken, Alison C.; Warren, Timothy H.; Knitsch, Robert; Eckert, Hellmut; Kehr, Gerald; Erker, Gerhard","Unsaturated Vicinal Frustrated Lewis Pair Formation by Electrocyclic Ring Closure and Their Reaction with Nitric Oxide","Organometallics","2016","35","21","3667","","10.1021/acs.organomet.6b00627","","","0.71073","MoKα","","0.0894","0.07","","","0.145","0.1619","","","","","","1.045","","","","has coordinates,has disorder","237918","2020-10-21","18:00:00",""
"4089003","12.4","0.0004","14.3827","0.0005","15.1428","0.0005","111.742","0.001","96.491","0.001","108.647","0.001","2293.16","0.14","101","2","101","2","","","","","","","","8","P -1","-P 1","2","","","","- C48 H43 B Cl4 F10 N O P -","- C48 H43 B Cl4 F10 N O P -","- C96 H86 B2 Cl8 F20 N2 O2 P2 -","2","1","","Özgün, Thomas; Chen, Guo-Qiang; Daniliuc, Constantin G.; McQuilken, Alison C.; Warren, Timothy H.; Knitsch, Robert; Eckert, Hellmut; Kehr, Gerald; Erker, Gerhard","Unsaturated Vicinal Frustrated Lewis Pair Formation by Electrocyclic Ring Closure and Their Reaction with Nitric Oxide","Organometallics","2016","35","21","3667","","10.1021/acs.organomet.6b00627","","","0.71073","MoKα","","0.0579","0.0409","","","0.0882","0.0963","","","","","","1.055","","","","has coordinates,has disorder","237918","2020-10-21","18:00:00",""
"4089004","12.5817","0.0005","15.0138","0.0006","22.139","0.0009","90","","105.279","0.002","90","","4034.2","0.3","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C46 H39 B F10 N O P -","- C46 H39 B F10 N O P -","- C184 H156 B4 F40 N4 O4 P4 -","4","1","","Özgün, Thomas; Chen, Guo-Qiang; Daniliuc, Constantin G.; McQuilken, Alison C.; Warren, Timothy H.; Knitsch, Robert; Eckert, Hellmut; Kehr, Gerald; Erker, Gerhard","Unsaturated Vicinal Frustrated Lewis Pair Formation by Electrocyclic Ring Closure and Their Reaction with Nitric Oxide","Organometallics","2016","35","21","3667","","10.1021/acs.organomet.6b00627","","","1.54178","CuKα","","0.0638","0.0475","","","0.118","0.1271","","","","","","1.072","","","","has coordinates","237918","2020-10-21","18:00:00",""
"4089005","13.997","0.0003","14.5832","0.0003","19.9467","0.0004","90","","105.14","0.001","90","","3930.22","0.14","223","2","223","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C46 H36 B F10 N O P -","- C46 H36 B F10 N O P -","- C184 H144 B4 F40 N4 O4 P4 -","4","1","","Özgün, Thomas; Chen, Guo-Qiang; Daniliuc, Constantin G.; McQuilken, Alison C.; Warren, Timothy H.; Knitsch, Robert; Eckert, Hellmut; Kehr, Gerald; Erker, Gerhard","Unsaturated Vicinal Frustrated Lewis Pair Formation by Electrocyclic Ring Closure and Their Reaction with Nitric Oxide","Organometallics","2016","35","21","3667","","10.1021/acs.organomet.6b00627","","","0.71073","MoKα","","0.0945","0.0661","","","0.1222","0.1391","","","","","","1.099","","","","has coordinates,has disorder","237918","2020-10-21","18:00:00",""
"4089006","17.1332","0.0002","14.0711","0.0002","17.4447","0.0003","90","","106.398","0.001","90","","4034.55","0.1","223","2","223","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C46 H37 B F10 N O P -","- C46 H37 B F10 N O P -","- C184 H148 B4 F40 N4 O4 P4 -","4","1","","Özgün, Thomas; Chen, Guo-Qiang; Daniliuc, Constantin G.; McQuilken, Alison C.; Warren, Timothy H.; Knitsch, Robert; Eckert, Hellmut; Kehr, Gerald; Erker, Gerhard","Unsaturated Vicinal Frustrated Lewis Pair Formation by Electrocyclic Ring Closure and Their Reaction with Nitric Oxide","Organometallics","2016","35","21","3667","","10.1021/acs.organomet.6b00627","","","0.71073","MoKα","","0.1073","0.07","","","0.1224","0.1434","","","","","","1.088","","","","has coordinates","237918","2020-10-21","18:00:00",""
"4089007","33.568","0.003","30.197","0.002","35.307","0.003","90","","90","","90","","35789","5","100","2","100","2","","","","","","","","8","P b c n","-P 2n 2ab","60","","","","- C152.5 H196 Li4 N4 O24 P4 Pd4 S8 -","- C152.5 H196 Li4 N4 O24 P4 Pd4 S8 -","- C1220 H1568 Li32 N32 O192 P32 Pd32 S64 -","8","1","","Wei, Jia; Shen, Zhongliang; Filatov, Alexander S.; Liu, Qian; Jordan, Richard F.","Self-Assembled Cage Structures and Ethylene Polymerization Behavior of Palladium Alkyl Complexes That Contain Phosphine-Bis(arenesulfonate) Ligands","Organometallics","2016","35","20","3557","","10.1021/acs.organomet.6b00629","","","0.71073","MoKα","","0.1191","0.0994","","","0.2374","0.2468","","","","","","1.072","","","","has coordinates,has disorder","237920","2020-10-21","18:00:00",""
"4089008","17.7902","0.0018","18.1177","0.0018","26.642","0.003","73.353","0.003","78.196","0.003","82.657","0.003","8031.3","1.5","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C120 H132 Li4 N4 O24 P4 Pd4 S8 -","- C120 H132 Li4 N4 O24 P4 Pd4 S8 -","- C240 H264 Li8 N8 O48 P8 Pd8 S16 -","2","1","","Wei, Jia; Shen, Zhongliang; Filatov, Alexander S.; Liu, Qian; Jordan, Richard F.","Self-Assembled Cage Structures and Ethylene Polymerization Behavior of Palladium Alkyl Complexes That Contain Phosphine-Bis(arenesulfonate) Ligands","Organometallics","2016","35","20","3557","","10.1021/acs.organomet.6b00629","","","0.71073","MoKα","","0.0745","0.0482","","","0.1178","0.1306","","","","","","1.028","","","","has coordinates,has disorder","237920","2020-10-21","18:00:00",""
"4089009","19.2325","0.0005","30.5438","0.0008","29.0647","0.0009","90","","99.758","0.002","90","","16826.6","0.8","100","2","100","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C128 H148 Li4 N4 O24 P4 Pd4 S8 -","- C128 H148 Li4 N4 O24 P4 Pd4 S8 -","- C512 H592 Li16 N16 O96 P16 Pd16 S32 -","4","1","","Wei, Jia; Shen, Zhongliang; Filatov, Alexander S.; Liu, Qian; Jordan, Richard F.","Self-Assembled Cage Structures and Ethylene Polymerization Behavior of Palladium Alkyl Complexes That Contain Phosphine-Bis(arenesulfonate) Ligands","Organometallics","2016","35","20","3557","","10.1021/acs.organomet.6b00629","","","1.54178","CuKα","","0.1784","0.0945","","","0.2144","0.2498","","","","","","1.064","","","","has coordinates","237920","2020-10-21","18:00:00",""
"4089010","18.991","0.002","19.582","0.002","23.263","0.003","75.162","0.003","72.865","0.003","82.851","0.003","7980.2","1.6","100","2","100","2","","","","","","","","9","P -1","-P 1","2","","","","- C119.5 H182 Cl5 Li3 N3 O18 P3 Pd3 S6 -","- C119.5 H182 Cl5 Li3 N3 O18 P3 Pd3 S6 -","- C239 H364 Cl10 Li6 N6 O36 P6 Pd6 S12 -","2","1","","Wei, Jia; Shen, Zhongliang; Filatov, Alexander S.; Liu, Qian; Jordan, Richard F.","Self-Assembled Cage Structures and Ethylene Polymerization Behavior of Palladium Alkyl Complexes That Contain Phosphine-Bis(arenesulfonate) Ligands","Organometallics","2016","35","20","3557","","10.1021/acs.organomet.6b00629","","","0.71073","MoKα","","0.0767","0.0564","","","0.1511","0.1669","","","","","","1.022","","","","has coordinates,has disorder","237920","2020-10-21","18:00:00",""
"4089011","20.41","0.004","18.797","0.004","32.965","0.007","90","","91.946","0.006","90","","12640","5","100","2","100","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C206 H308 Li6 N4 O36 P6 Pd6 S12 -","- C206 H308 Li6 N4 O36 P6 Pd6 S12 -","- C412 H616 Li12 N8 O72 P12 Pd12 S24 -","2","0.5","","Wei, Jia; Shen, Zhongliang; Filatov, Alexander S.; Liu, Qian; Jordan, Richard F.","Self-Assembled Cage Structures and Ethylene Polymerization Behavior of Palladium Alkyl Complexes That Contain Phosphine-Bis(arenesulfonate) Ligands","Organometallics","2016","35","20","3557","","10.1021/acs.organomet.6b00629","","","0.71073","MoKα","","0.0941","0.0561","","","0.1285","0.1462","","","","","","1.033","","","","has coordinates,has disorder","237920","2020-10-21","18:00:00",""
"4089012","20.1669","0.0006","8.686","0.0002","15.4565","0.0005","90","","111.566","0.003","90","","2517.97","0.14","100","","100","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C28 H45 B F2 -","- C28 H45 B F2 -","- C112 H180 B4 F8 -","4","0.5","","Murosaki, Takahiro; Kaneda, Shohei; Maruhashi, Ryota; Sadamori, Kazuya; Shoji, Yoshiaki; Tamao, Kohei; Hashizume, Daisuke; Hayakawa, Naoki; Matsuo, Tsukasa","Synthesis and Structural Characteristics of Discrete Organoboron and Organoaluminum Hydrides Incorporating Bulky Eind Groups","Organometallics","2016","35","19","3397","","10.1021/acs.organomet.6b00633","","","0.71075","MoKα","","0.0628","0.058","","","0.1509","0.1551","","","","","","1.028","","","","has coordinates","237921","2020-10-21","18:00:00",""
"4089013","11.919","0.0011","19.234","0.0017","21.53","0.002","90","","100.044","0.0013","90","","4860.1","0.8","90","","90","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C56 H91 B -","- C56 H91 B -","- C224 H364 B4 -","4","1","","Murosaki, Takahiro; Kaneda, Shohei; Maruhashi, Ryota; Sadamori, Kazuya; Shoji, Yoshiaki; Tamao, Kohei; Hashizume, Daisuke; Hayakawa, Naoki; Matsuo, Tsukasa","Synthesis and Structural Characteristics of Discrete Organoboron and Organoaluminum Hydrides Incorporating Bulky Eind Groups","Organometallics","2016","35","19","3397","","10.1021/acs.organomet.6b00633","","","0.71073","MoKα","","0.0665","0.0573","","","0.1421","0.1489","","","","","","1.087","","","","has coordinates","237921","2020-10-21","18:00:00",""
"4089014","17.4943","0.0005","17.8447","0.0007","10.9847","0.0005","90","","106.539","0.0019","90","","3287.3","0.2","90","","90","","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C70 H118 B2 Li2 O2 -","- C70 H118 B2 Li2 O2 -","- C140 H236 B4 Li4 O4 -","2","0.25","","Murosaki, Takahiro; Kaneda, Shohei; Maruhashi, Ryota; Sadamori, Kazuya; Shoji, Yoshiaki; Tamao, Kohei; Hashizume, Daisuke; Hayakawa, Naoki; Matsuo, Tsukasa","Synthesis and Structural Characteristics of Discrete Organoboron and Organoaluminum Hydrides Incorporating Bulky Eind Groups","Organometallics","2016","35","19","3397","","10.1021/acs.organomet.6b00633","","","0.71073","MoKα","","0.0965","0.0854","","","0.2266","0.2339","","","","","","1.089","","","","has coordinates","237921","2020-10-21","18:00:00",""
"4089015","12.396","0.002","23.243","0.004","26.501","0.005","97.983","0.004","90.176","0.003","94.192","0.004","7541","2","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C56 H94 B2 -","- C56 H94 B2 -","- C336 H564 B12 -","6","3","","Murosaki, Takahiro; Kaneda, Shohei; Maruhashi, Ryota; Sadamori, Kazuya; Shoji, Yoshiaki; Tamao, Kohei; Hashizume, Daisuke; Hayakawa, Naoki; Matsuo, Tsukasa","Synthesis and Structural Characteristics of Discrete Organoboron and Organoaluminum Hydrides Incorporating Bulky Eind Groups","Organometallics","2016","35","19","3397","","10.1021/acs.organomet.6b00633","","","0.71073","MoKα","","0.1139","0.0777","","","0.179","0.2019","","","","","","1.085","","","","has coordinates","237921","2020-10-21","18:00:00",""
"4089016","12.4926","0.0008","18.6202","0.0012","23.2945","0.0014","104.261","0.002","94.6326","0.0019","101.426","0.0019","5099.5","0.6","100","","100","","","","","","","","","3","P -1","-P 1","2","","","","- C56 H94 B2 -","- C56 H94 B2 -","- C224 H376 B8 -","4","2","","Murosaki, Takahiro; Kaneda, Shohei; Maruhashi, Ryota; Sadamori, Kazuya; Shoji, Yoshiaki; Tamao, Kohei; Hashizume, Daisuke; Hayakawa, Naoki; Matsuo, Tsukasa","Synthesis and Structural Characteristics of Discrete Organoboron and Organoaluminum Hydrides Incorporating Bulky Eind Groups","Organometallics","2016","35","19","3397","","10.1021/acs.organomet.6b00633","","","0.71073","MoKα","","","0.0788","","","","0.2158","","","","","","1.025","","","","has coordinates","237921","2020-10-21","18:00:00",""
"4089017","20.016","0.002","16.312","0.0017","20.747","0.002","90","","105.012","0.0015","90","","6542.7","1.1","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C64 H116 Al2 Li2 O2 -","- C64 H116 Al2 Li2 O2 -","- C256 H464 Al8 Li8 O8 -","4","1","","Murosaki, Takahiro; Kaneda, Shohei; Maruhashi, Ryota; Sadamori, Kazuya; Shoji, Yoshiaki; Tamao, Kohei; Hashizume, Daisuke; Hayakawa, Naoki; Matsuo, Tsukasa","Synthesis and Structural Characteristics of Discrete Organoboron and Organoaluminum Hydrides Incorporating Bulky Eind Groups","Organometallics","2016","35","19","3397","","10.1021/acs.organomet.6b00633","","","0.71075","MoKα","","0.0678","0.0612","","","0.137","0.141","","","","","","1.147","","","","has coordinates","237921","2020-10-21","18:00:00",""
"4089018","17.3426","0.0007","22.7052","0.0014","13.287","0.0007","90","","105.341","0.005","90","","5045.6","0.5","100","","100","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C56 H94 Al2 -","- C56 H94 Al2 -","- C224 H376 Al8 -","4","0.5","","Murosaki, Takahiro; Kaneda, Shohei; Maruhashi, Ryota; Sadamori, Kazuya; Shoji, Yoshiaki; Tamao, Kohei; Hashizume, Daisuke; Hayakawa, Naoki; Matsuo, Tsukasa","Synthesis and Structural Characteristics of Discrete Organoboron and Organoaluminum Hydrides Incorporating Bulky Eind Groups","Organometallics","2016","35","19","3397","","10.1021/acs.organomet.6b00633","","","0.71075","MoKα","","0.1295","0.0655","","","0.1422","0.1695","","","","","","1.008","","","","has coordinates","237921","2020-10-21","18:00:00",""
"4089019","32.777","0.012","18.557","0.006","16.936","0.006","90","","104.135","0.005","90","","9989","6","100","2","100","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C56 H91 Al -","- C56 H91 Al -","- C448 H728 Al8 -","8","1","","Murosaki, Takahiro; Kaneda, Shohei; Maruhashi, Ryota; Sadamori, Kazuya; Shoji, Yoshiaki; Tamao, Kohei; Hashizume, Daisuke; Hayakawa, Naoki; Matsuo, Tsukasa","Synthesis and Structural Characteristics of Discrete Organoboron and Organoaluminum Hydrides Incorporating Bulky Eind Groups","Organometallics","2016","35","19","3397","","10.1021/acs.organomet.6b00633","","","0.71073","MoKα","","0.2226","0.1789","","","0.2251","0.2429","","","","","","1.333","","","","has coordinates,has disorder","237921","2020-10-21","18:00:00",""
"4089020","8.5106","0.0013","17.114","0.002","12.1496","0.0017","90","","94.468","0.005","90","","1764.2","0.4","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C11 H20 Au Cl3 N2 O -","- C11 H20 Au Cl3 N2 O -","- C44 H80 Au4 Cl12 N8 O4 -","4","1","","Anisimova, Tatyana B.; Kinzhalov, Mikhail A.; Kuznetsov, Maxim L.; Guedes da Silva, M. Fátima C.; Zolotarev, Andrey A.; Kukushkin, Vadim Yu.; Pombeiro, Armando J. L.; Luzyanin, Konstantin V.","1,3-Dipolar Cycloaddition of Nitrones to Gold(III)-Bound Isocyanides","Organometallics","2016","35","20","3569","","10.1021/acs.organomet.6b00635","","","0.71073","MoKα","","0.0804","0.04","","","0.0756","0.0875","","","","","","0.968","","","","has coordinates","237923","2020-10-21","18:00:00",""
"4089021","12.6932","0.0008","9.4828","0.0008","16.5854","0.0007","90","","98.846","0.005","90","","1972.6","0.2","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C13 H21 Au Cl2 N2 O -","- C13 H21 Au Cl2 N2 O -","- C52 H84 Au4 Cl8 N8 O4 -","4","1","","Anisimova, Tatyana B.; Kinzhalov, Mikhail A.; Kuznetsov, Maxim L.; Guedes da Silva, M. Fátima C.; Zolotarev, Andrey A.; Kukushkin, Vadim Yu.; Pombeiro, Armando J. L.; Luzyanin, Konstantin V.","1,3-Dipolar Cycloaddition of Nitrones to Gold(III)-Bound Isocyanides","Organometallics","2016","35","20","3569","","10.1021/acs.organomet.6b00635","","","0.71069","MoKα","","0.0775","0.0466","","","0.1329","0.1479","","","","","","0.96","","","","has coordinates","237923","2020-10-21","18:00:00",""
"4089022","7.5167","0.0004","9.491","0.0003","15.2776","0.0008","101.664","0.004","98.71","0.004","95.481","0.004","1046.11","0.09","100.01","0.1","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C15 H22 Au Cl5 N2 O -","- C15 H22 Au Cl5 N2 O -","- C30 H44 Au2 Cl10 N4 O2 -","2","1","","Anisimova, Tatyana B.; Kinzhalov, Mikhail A.; Kuznetsov, Maxim L.; Guedes da Silva, M. Fátima C.; Zolotarev, Andrey A.; Kukushkin, Vadim Yu.; Pombeiro, Armando J. L.; Luzyanin, Konstantin V.","1,3-Dipolar Cycloaddition of Nitrones to Gold(III)-Bound Isocyanides","Organometallics","2016","35","20","3569","","10.1021/acs.organomet.6b00635","","","0.71073","MoKα","","0.0394","0.0337","","","0.0758","0.0788","","","","","","1.01","","","","has coordinates","237923","2020-10-21","18:00:00",""
"4089023","20.4635","0.0018","16.5228","0.0014","23.384","0.002","90","","104.78","0.002","90","","7644.9","1.1","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C44 H40 Cl F5 Mo N2 O -","- C44 H40 Cl F5 Mo N2 O -","- C352 H320 Cl8 F40 Mo8 N16 O8 -","8","2","","Sues, Peter E.; John, Jeremy M.; Bukhryakov, Konstantin V.; Schrock, Richard R.; Müller, Peter","Molybdenum and Tungsten Alkylidene Complexes That Contain a 2-Pyridyl-Substituted Phenoxide Ligand","Organometallics","2016","35","20","3587","","10.1021/acs.organomet.6b00644","","","0.71073","MoKα","","0.0682","0.0479","","","0.1062","0.1133","","","","","","1.034","","","","has coordinates,has disorder","237925","2020-10-21","18:00:00",""
"4089024","39.702","0.003","12.5644","0.0009","20.3447","0.0015","90","","116.422","0.0012","90","","9088.5","1.2","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C50 H65 Cl Mo N2 O -","- C50 H65 Cl Mo N2 O -","- C400 H520 Cl8 Mo8 N16 O8 -","8","1","","Sues, Peter E.; John, Jeremy M.; Bukhryakov, Konstantin V.; Schrock, Richard R.; Müller, Peter","Molybdenum and Tungsten Alkylidene Complexes That Contain a 2-Pyridyl-Substituted Phenoxide Ligand","Organometallics","2016","35","20","3587","","10.1021/acs.organomet.6b00644","","","0.71073","MoKα","","0.0438","0.0337","","","0.0779","0.0823","","","","","","1.035","","","","has coordinates,has disorder","237925","2020-10-21","18:00:00",""
"4089025","11.0888","0.001","14.4032","0.0013","16.6215","0.0015","80.3137","0.0018","84.3917","0.0019","88.979","0.002","2604.3","0.4","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C50 H73 F3 Mo N2 O6 S -","- C50 H73 F3 Mo N2 O6 S -","- C100 H146 F6 Mo2 N4 O12 S2 -","2","1","","Sues, Peter E.; John, Jeremy M.; Bukhryakov, Konstantin V.; Schrock, Richard R.; Müller, Peter","Molybdenum and Tungsten Alkylidene Complexes That Contain a 2-Pyridyl-Substituted Phenoxide Ligand","Organometallics","2016","35","20","3587","","10.1021/acs.organomet.6b00644","","","0.71073","MoKα","","0.0588","0.0493","","","0.1257","0.1327","","","","","","1.05","","","","has coordinates,has disorder","237925","2020-10-21","18:00:00",""
"4089026","10.141","0.0015","15.406","0.002","21.056","0.003","90","","95.288","0.003","90","","3275.6","0.8","298","","298","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C33 H42 Cl2 O3 Ru Si -","- C33 H42 Cl2 O3 Ru Si -","- C132 H168 Cl8 O12 Ru4 Si4 -","4","1","","Deng, Yongming; Jing, Changcheng; Arman, Hadi; Doyle, Michael P.","Reactivity and Selectivity in Catalytic Reactions of Enoldiazoacetamides. Assessment of Metal Carbenes as Intermediates","Organometallics","2016","35","19","3413","","10.1021/acs.organomet.6b00648","","","0.71073","MoKα","","0.0406","0.0366","","","0.0939","0.0973","","","","","","1.054","","","","has coordinates","237927","2020-10-21","18:00:00",""
"4089027","18.1054","0.0007","13.2094","0.0005","18.93","0.0007","90","","103.866","0.002","90","","4395.4","0.3","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C37.25 H56.5 Br2 Cl4.5 Fe N4 O0.75 -","- C37.25 H56.5 Br2 Cl4.5 Fe N4 O0.75 -","- C149 H226 Br8 Cl18 Fe4 N16 O3 -","4","1","","Baker, Tessa M.; Mako, Teresa L.; Vasilopoulos, Aristidis; Li, Bo; Byers, Jeffery A.; Neidig, Michael L.","Magnetic Circular Dichroism and Density Functional Theory Studies of Iron(II)-Pincer Complexes: Insight into Electronic Structure and Bonding Effects of Pincer N-Heterocyclic Carbene Moieties","Organometallics","2016","35","21","3692","","10.1021/acs.organomet.6b00651","","","1.54178","CuKα","","0.0366","0.0353","","","0.0973","0.0986","","","","","","1.03","","","","has coordinates,has disorder","237929","2020-10-21","18:00:00",""
"4089028","8.69221","0.00014","32.1562","0.0005","11.6788","0.0002","90","","107.243","0.0018","90","","3117.61","0.09","100.01","0.1","100.01","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C28 H38 Cl2 O2 P3 Re -","- C28 H38 Cl2 O2 P3 Re -","- C112 H152 Cl8 O8 P12 Re4 -","4","1","","Bai, Wei; Lee, Ka-Ho; Sung, Herman H. Y.; Williams, Ian D.; Lin, Zhenyang; Jia, Guochen","Alkyne Metathesis Reactions of Rhenium(V) Carbyne Complexes","Organometallics","2016","35","22","3808","","10.1021/acs.organomet.6b00653","","x-ray","1.54184","CuKα","","0.0361","0.0284","","","0.0636","0.0667","","","","","","1.001","","","","has coordinates","237932","2020-10-21","18:00:00",""
"4089029","9.0062","0.0004","12.5202","0.0005","10.7172","0.0004","90","","107.054","0.001","90","","1155.33","0.08","293","2","293","2","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","","","- C23 H43 Ga N2 -","- C23 H43 Ga N2 -","- C46 H86 Ga2 N4 -","2","0.5","","Uhl, Werner; Willeke, Matthias; Hengesbach, Frank; Hepp, Alexander; Layh, Marcus","Aluminum and Gallium Hydrazides as Active Lewis Pairs: Cooperative C‒H Bond Activation with H‒C≡C‒Ph and Pentafluorobenzene","Organometallics","2016","35","21","3701","","10.1021/acs.organomet.6b00658","","","0.71073","MoKα","","0.0245","0.0227","","","0.0592","0.0601","","","","","","1.141","","","","has coordinates,has disorder","237935","2020-10-21","18:00:00",""
"4089030","19.2929","0.0017","19.2929","0.0017","10.2158","0.0009","90","","90","","90","","3802.5","0.6","153","2","153","2","","","","","","","","4","P -4 b 2","P -4 -2ab","117","","","","- C37 H62 Ga2 N4 -","- C37 H62 Ga2 N4 -","- C148 H248 Ga8 N16 -","4","0.5","","Uhl, Werner; Willeke, Matthias; Hengesbach, Frank; Hepp, Alexander; Layh, Marcus","Aluminum and Gallium Hydrazides as Active Lewis Pairs: Cooperative C‒H Bond Activation with H‒C≡C‒Ph and Pentafluorobenzene","Organometallics","2016","35","21","3701","","10.1021/acs.organomet.6b00658","","","0.71073","MoKα","","0.0503","0.0453","","","0.1258","0.1279","","","","","","1.207","","","","has coordinates","237935","2020-10-21","18:00:00",""
"4089031","9.9222","0.0004","10.4627","0.0005","32.3247","0.0014","94.3967","0.0013","94.7393","0.0013","98.3163","0.0013","3295.7","0.3","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C34 H62 Ga2 N4 -","- C34 H62 Ga2 N4 -","- C136 H248 Ga8 N16 -","4","2","","Uhl, Werner; Willeke, Matthias; Hengesbach, Frank; Hepp, Alexander; Layh, Marcus","Aluminum and Gallium Hydrazides as Active Lewis Pairs: Cooperative C‒H Bond Activation with H‒C≡C‒Ph and Pentafluorobenzene","Organometallics","2016","35","21","3701","","10.1021/acs.organomet.6b00658","","","0.71073","MoKα","","0.0782","0.0497","","","0.0961","0.1047","","","","","","1.052","","","","has coordinates","237935","2020-10-21","18:00:00",""
"4089032","11.2344","0.0014","11.2633","0.0014","12.9804","0.0017","93.348","0.004","105.684","0.003","111.948","0.003","1443.2","0.3","153","2","153","2","","","","","","","","4","P -1","-P 1","2","","","","- C31 H53 Al N4 -","- C31 H53 Al N4 -","- C62 H106 Al2 N8 -","2","1","","Uhl, Werner; Willeke, Matthias; Hengesbach, Frank; Hepp, Alexander; Layh, Marcus","Aluminum and Gallium Hydrazides as Active Lewis Pairs: Cooperative C‒H Bond Activation with H‒C≡C‒Ph and Pentafluorobenzene","Organometallics","2016","35","21","3701","","10.1021/acs.organomet.6b00658","","","0.71073","MoKα","","0.0788","0.0652","","","0.1758","0.1876","","","","","","1.026","","","","has coordinates,has disorder","237935","2020-10-21","18:00:00",""
"4089033","6.4956","0.0003","24.8278","0.0012","12.755","0.0006","90","","94.5768","0.0016","90","","2050.46","0.17","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C21 H39 Al N2 O -","- C21 H39 Al N2 O -","- C84 H156 Al4 N8 O4 -","4","1","","Uhl, Werner; Willeke, Matthias; Hengesbach, Frank; Hepp, Alexander; Layh, Marcus","Aluminum and Gallium Hydrazides as Active Lewis Pairs: Cooperative C‒H Bond Activation with H‒C≡C‒Ph and Pentafluorobenzene","Organometallics","2016","35","21","3701","","10.1021/acs.organomet.6b00658","","","0.71073","MoKα","","0.052","0.0402","","","0.103","0.1093","","","","","","1.034","","","","has coordinates","237935","2020-10-21","18:00:00",""
"4089034","11.4789","0.0002","13.8769","0.0003","20.0396","0.0004","90","","91.625","0.001","90","","3190.86","0.11","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C39 H41 Al N2 -","- C39 H41 Al N2 -","- C156 H164 Al4 N8 -","4","1","","Uhl, Werner; Willeke, Matthias; Hengesbach, Frank; Hepp, Alexander; Layh, Marcus","Aluminum and Gallium Hydrazides as Active Lewis Pairs: Cooperative C‒H Bond Activation with H‒C≡C‒Ph and Pentafluorobenzene","Organometallics","2016","35","21","3701","","10.1021/acs.organomet.6b00658","","","0.71073","MoKα","","0.064","0.051","","","0.1317","0.1415","","","","","","1.033","","","","has coordinates","237935","2020-10-21","18:00:00",""
"4089035","11.6237","0.0002","16.6509","0.0003","16.7153","0.0004","90","","91.1009","0.0011","90","","3234.57","0.11","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C39 H39 Ga N2 -","- C39 H39 Ga N2 -","- C156 H156 Ga4 N8 -","4","1","","Uhl, Werner; Willeke, Matthias; Hengesbach, Frank; Hepp, Alexander; Layh, Marcus","Aluminum and Gallium Hydrazides as Active Lewis Pairs: Cooperative C‒H Bond Activation with H‒C≡C‒Ph and Pentafluorobenzene","Organometallics","2016","35","21","3701","","10.1021/acs.organomet.6b00658","","","0.71073","MoKα","","0.0368","0.0314","","","0.0788","0.0812","","","","","","1.081","","","","has coordinates,has disorder","237935","2020-10-21","18:00:00",""
"4089036","10.1498","0.0004","10.981","0.0005","12.7022","0.0005","82.472","0.0013","72.5308","0.0012","79.9641","0.0012","1325.09","0.1","153","2","153","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H27 F10 Ga N2 -","- C28 H27 F10 Ga N2 -","- C56 H54 F20 Ga2 N4 -","2","1","","Uhl, Werner; Willeke, Matthias; Hengesbach, Frank; Hepp, Alexander; Layh, Marcus","Aluminum and Gallium Hydrazides as Active Lewis Pairs: Cooperative C‒H Bond Activation with H‒C≡C‒Ph and Pentafluorobenzene","Organometallics","2016","35","21","3701","","10.1021/acs.organomet.6b00658","","","0.71073","MoKα","","0.0483","0.0376","","","0.0896","0.0938","","","","","","1.061","","","","has coordinates","237935","2020-10-21","18:00:00",""
"4089037","11.4372","0.0006","11.6551","0.0006","11.7123","0.0006","94.385","0.002","112.509","0.001","97.741","0.001","1415.14","0.13","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H25.5 F12.5 Ga N2 -","- C30 H25.5001 F12.4999 Ga N2 -","- C60 H51.0002 F24.9998 Ga2 N4 -","2","1","","Uhl, Werner; Willeke, Matthias; Hengesbach, Frank; Hepp, Alexander; Layh, Marcus","Aluminum and Gallium Hydrazides as Active Lewis Pairs: Cooperative C‒H Bond Activation with H‒C≡C‒Ph and Pentafluorobenzene","Organometallics","2016","35","21","3701","","10.1021/acs.organomet.6b00658","","","0.71073","MoKα","","0.0659","0.0471","","","0.0977","0.1042","","","","","","1.056","","","","has coordinates","237935","2020-10-21","18:00:00",""
"4089038","9.8665","0.0002","16.3423","0.0003","9.8666","0.0002","90","","109.266","0.001","90","","1501.81","0.05","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C28 H54 Ga2 -","- C28 H54 Ga2 -","- C56 H108 Ga4 -","2","0.5","","Uhl, Werner; Willeke, Matthias; Hengesbach, Frank; Hepp, Alexander; Layh, Marcus","Aluminum and Gallium Hydrazides as Active Lewis Pairs: Cooperative C‒H Bond Activation with H‒C≡C‒Ph and Pentafluorobenzene","Organometallics","2016","35","21","3701","","10.1021/acs.organomet.6b00658","","","0.71073","MoKα","","0.0312","0.0255","","","0.0829","0.0853","","","","","","1.145","","","","has coordinates,has disorder","237935","2020-10-21","18:00:00",""
"4089039","9.437","0.002","25.014","0.003","15.126","0.002","90","","100","0.02","90","","3516.4","1","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C38 H45 Cl2 N3 Pd -","- C38 H45 Cl2 N3 Pd -","- C152 H180 Cl8 N12 Pd4 -","4","1","","Rottschäfer, Dennis; Schürmann, Christian J.; Lamm, Jan-Hendrik; Paesch, Alexander N.; Neumann, Beate; Ghadwal, Rajendra S.","Abnormal-NHC Palladium(II) Complexes: Rational Synthesis, Structural Elucidation, and Catalytic Activity","Organometallics","2016","35","19","3421","","10.1021/acs.organomet.6b00662","","","0.56086","AgKα","","0.0596","0.0385","","","0.0839","0.0913","","","","","","1.022","","","","has coordinates","237938","2020-10-21","18:00:00",""
"4089040","9.537","0.002","24.824","0.003","15.418","0.002","90","","100.47","0.02","90","","3589.4","1","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C38 H45 Cl1.06 I0.94 N3 Pd -","- C38 H45 Cl1.0553 I0.9447 N3 Pd -","- C152 H180 Cl4.2212 I3.7788 N12 Pd4 -","4","1","","Rottschäfer, Dennis; Schürmann, Christian J.; Lamm, Jan-Hendrik; Paesch, Alexander N.; Neumann, Beate; Ghadwal, Rajendra S.","Abnormal-NHC Palladium(II) Complexes: Rational Synthesis, Structural Elucidation, and Catalytic Activity","Organometallics","2016","35","19","3421","","10.1021/acs.organomet.6b00662","","","0.71073","MoKα","","0.0247","0.0227","","","0.0508","0.0514","","","","","","1.199","","","","has coordinates,has disorder","237940","2020-10-21","18:00:00",""
"4089041","15.234","0.003","16.272","0.003","17.346","0.003","67.83","0.02","72.16","0.02","89.61","0.03","3761.5","1.5","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C80 H96 Ag2 I2 N4 -","- C80 H96 Ag2 I2 N4 -","- C160 H192 Ag4 I4 N8 -","2","1","","Rottschäfer, Dennis; Schürmann, Christian J.; Lamm, Jan-Hendrik; Paesch, Alexander N.; Neumann, Beate; Ghadwal, Rajendra S.","Abnormal-NHC Palladium(II) Complexes: Rational Synthesis, Structural Elucidation, and Catalytic Activity","Organometallics","2016","35","19","3421","","10.1021/acs.organomet.6b00662","","","0.71073","MoKα","","0.0533","0.0398","","","0.082","0.0874","","","","","","1.082","","","","has coordinates,has disorder","237941","2020-10-21","18:00:00",""
"4089042","9.151","0.003","11.811","0.003","18.42","0.006","103.33","0.02","96.42","0.03","103.24","0.02","1857","1","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C38 H44 Cl1.74 I1.26 N3 Pd -","- C38 H44 Cl1.7367 I1.2633 N3 Pd -","- C76 H88 Cl3.4734 I2.5266 N6 Pd2 -","2","1","","Rottschäfer, Dennis; Schürmann, Christian J.; Lamm, Jan-Hendrik; Paesch, Alexander N.; Neumann, Beate; Ghadwal, Rajendra S.","Abnormal-NHC Palladium(II) Complexes: Rational Synthesis, Structural Elucidation, and Catalytic Activity","Organometallics","2016","35","19","3421","","10.1021/acs.organomet.6b00662","","","0.71073","MoKα","","0.0343","0.028","","","0.0614","0.0641","","","","","","1.102","","","","has coordinates,has disorder","237943","2020-10-21","18:00:00",""
"4089043","16.581","0.002","12.031","0.002","20.983","0.003","90","","99.25","0.02","90","","4131.4","1.1","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C94 H112 Cl2 N4 Pd -","- C94 H112 Cl2 N4 Pd -","- C188 H224 Cl4 N8 Pd2 -","2","0.5","","Rottschäfer, Dennis; Schürmann, Christian J.; Lamm, Jan-Hendrik; Paesch, Alexander N.; Neumann, Beate; Ghadwal, Rajendra S.","Abnormal-NHC Palladium(II) Complexes: Rational Synthesis, Structural Elucidation, and Catalytic Activity","Organometallics","2016","35","19","3421","","10.1021/acs.organomet.6b00662","","","0.71073","MoKα","","0.0557","0.0436","","","0.1093","0.1184","","","","","","1.041","","","","has coordinates,has disorder","237945","2020-10-21","18:00:00",""
"4089044","9.2685","0.0003","11.7625","0.0004","18.2798","0.0008","101.143","0.004","96.316","0.004","102.93","0.003","1881.1","0.13","100.01","0.11","100.01","0.11","","","","","","","","6","P -1","-P 1","2","","","","- C38 H45 Cl0.15 I1.85 N3 Pd -","- C38 H45 Cl0.1461 I1.8539 N3 Pd -","- C76 H90 Cl0.2922 I3.7078 N6 Pd2 -","2","1","","Rottschäfer, Dennis; Schürmann, Christian J.; Lamm, Jan-Hendrik; Paesch, Alexander N.; Neumann, Beate; Ghadwal, Rajendra S.","Abnormal-NHC Palladium(II) Complexes: Rational Synthesis, Structural Elucidation, and Catalytic Activity","Organometallics","2016","35","19","3421","","10.1021/acs.organomet.6b00662","","x-ray","0.71073","MoKα","","0.0307","0.0279","","","0.0706","0.072","","","","","","1.106","","","","has coordinates,has disorder","237946","2020-10-21","18:00:00",""
"4089045","9.2753","0.0003","11.7753","0.0003","18.6313","0.0005","102.384","0.002","97.461","0.002","103.547","0.002","1897.19","0.1","100.01","0.1","100.01","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C38 H44 Cl I2 N3 Pd -","- C38 H44 Cl I2 N3 Pd -","- C76 H88 Cl2 I4 N6 Pd2 -","2","1","","Rottschäfer, Dennis; Schürmann, Christian J.; Lamm, Jan-Hendrik; Paesch, Alexander N.; Neumann, Beate; Ghadwal, Rajendra S.","Abnormal-NHC Palladium(II) Complexes: Rational Synthesis, Structural Elucidation, and Catalytic Activity","Organometallics","2016","35","19","3421","","10.1021/acs.organomet.6b00662","","x-ray","1.54184","CuKα","","0.0327","0.0295","","","0.0776","0.08","","","","","","1.036","","","","has coordinates","237948","2020-10-21","18:00:00",""
"4089046","9.63","0.002","15.348","0.002","24.812","0.003","91.36","0.02","91.14","0.02","99.93","0.03","3610.2","1","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C38 H44 Cl3 N3 Pd -","- C38 H44 Cl3 N3 Pd -","- C152 H176 Cl12 N12 Pd4 -","4","2","","Rottschäfer, Dennis; Schürmann, Christian J.; Lamm, Jan-Hendrik; Paesch, Alexander N.; Neumann, Beate; Ghadwal, Rajendra S.","Abnormal-NHC Palladium(II) Complexes: Rational Synthesis, Structural Elucidation, and Catalytic Activity","Organometallics","2016","35","19","3421","","10.1021/acs.organomet.6b00662","","","0.71073","MoKα","","0.0543","0.0507","","","0.1319","0.1335","","","","","","1.195","","","","has coordinates","237949","2020-10-21","18:00:00",""
"4089047","10.282","0.002","11.538","0.002","15.223","0.003","80.14","0.02","78.85","0.02","83.87","0.03","1740.6","0.6","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C68 H84 Cl8 N4 Pd2 -","- C68 H84 Cl8 N4 Pd2 -","- C68 H84 Cl8 N4 Pd2 -","1","0.5","","Rottschäfer, Dennis; Schürmann, Christian J.; Lamm, Jan-Hendrik; Paesch, Alexander N.; Neumann, Beate; Ghadwal, Rajendra S.","Abnormal-NHC Palladium(II) Complexes: Rational Synthesis, Structural Elucidation, and Catalytic Activity","Organometallics","2016","35","19","3421","","10.1021/acs.organomet.6b00662","","","0.71073","MoKα","","0.0346","0.028","","","0.0591","0.0624","","","","","","1.126","","","","has coordinates,has disorder","237951","2020-10-21","18:00:00",""
"4089048","11.667","0.003","9.966","0.002","15.7","0.003","90","","94.4","0.004","90","","1820.1","0.7","200","","200","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H28 O4 Ru -","- C20 H28 O4 Ru -","- C80 H112 O16 Ru4 -","4","1","","Kiyota, Sayori; In, Seonyong; Saito, Ryo; Komine, Nobuyuki; Hirano, Masafumi","Ru(0)-Catalyzed Direct Coupling of Internal Alkynes with Conjugated Dienes: An Efficient Access to Conjugated Trienes","Organometallics","2016","35","24","4033","","10.1021/acs.organomet.6b00668","","","0.71075","MoKα","","","0.0279","","","","0.0773","","","","","","0.678","","","","has coordinates","237953","2020-10-21","18:00:00",""
"4089049","11.8192","0.0003","27.4879","0.0004","16.5417","0.0003","90","","91.2122","0.0005","90","","5372.95","0.18","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C57 H88 N2 O2 Si W -","- C57 H88 N2 O2 Si W -","- C228 H352 N8 O8 Si4 W4 -","4","1","","Yoshimoto, Takashi; Hashimoto, Hisako; Hayakawa, Naoki; Matsuo, Tsukasa; Tobita, Hiromi","A Silylyne Tungsten Complex Having an Eind Group on Silicon: Its Dimer‒Monomer Equilibrium and Cycloaddition Reactions with Carbodiimide and Diaryl Ketones","Organometallics","2016","35","20","3444","","10.1021/acs.organomet.6b00670","","","0.71073","MoKα","","0.0676","0.0554","","","0.1025","0.1065","","","","","","1.34","","","","has coordinates","237954","2020-10-21","18:00:00",""
"4089050","13.7165","0.0008","14.2405","0.0006","20.985","0.0015","83.3105","0.0015","88.5806","0.0019","76.323","0.003","3955.6","0.4","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C83 H127 O4 Si2 W2 -","- C83 H127 O4 Si2 W2 -","- C166 H254 O8 Si4 W4 -","2","1","","Yoshimoto, Takashi; Hashimoto, Hisako; Hayakawa, Naoki; Matsuo, Tsukasa; Tobita, Hiromi","A Silylyne Tungsten Complex Having an Eind Group on Silicon: Its Dimer‒Monomer Equilibrium and Cycloaddition Reactions with Carbodiimide and Diaryl Ketones","Organometallics","2016","35","20","3444","","10.1021/acs.organomet.6b00670","","","0.71073","MoKα","","0.0602","0.044","","","0.1088","0.1194","","","","","","1.171","","","","has coordinates","237954","2020-10-21","18:00:00",""
"4089051","9.3068","0.0003","11.0982","0.0005","28.5353","0.001","90","","94.9836","0.0006","90","","2936.23","0.19","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C29 H22 B F15 N2 -","- C29 H22 B F15 N2 -","- C116 H88 B4 F60 N8 -","4","1","","Yoshimoto, Takashi; Hashimoto, Hisako; Hayakawa, Naoki; Matsuo, Tsukasa; Tobita, Hiromi","A Silylyne Tungsten Complex Having an Eind Group on Silicon: Its Dimer‒Monomer Equilibrium and Cycloaddition Reactions with Carbodiimide and Diaryl Ketones","Organometallics","2016","35","20","3444","","10.1021/acs.organomet.6b00670","","","0.71073","MoKα","","0.1215","0.0937","","","0.1908","0.2076","","","","","","1.268","","","","has coordinates,has disorder","237954","2020-10-21","18:00:00",""
"4089052","18.5274","0.0003","13.1587","0.0002","18.7332","0.0004","90","","99.6199","0.0005","90","","4502.87","0.14","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C47 H74 N2 O2 Si W -","- C47 H74 N2 O2 Si W -","- C188 H296 N8 O8 Si4 W4 -","4","1","","Yoshimoto, Takashi; Hashimoto, Hisako; Hayakawa, Naoki; Matsuo, Tsukasa; Tobita, Hiromi","A Silylyne Tungsten Complex Having an Eind Group on Silicon: Its Dimer‒Monomer Equilibrium and Cycloaddition Reactions with Carbodiimide and Diaryl Ketones","Organometallics","2016","35","20","3444","","10.1021/acs.organomet.6b00670","","","0.71073","MoKα","","0.0871","0.0713","","","0.0931","0.0965","","","","","","1.39","","","","has coordinates","237954","2020-10-21","18:00:00",""
"4089053","10.2995","0.0005","13.3593","0.0006","17.9891","0.0009","99.1384","0.0019","105.609","0.0017","100","0.002","2291.9","0.19","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C53 H70 O3 Si W -","- C53 H70 O3 Si W -","- C106 H140 O6 Si2 W2 -","2","1","","Yoshimoto, Takashi; Hashimoto, Hisako; Hayakawa, Naoki; Matsuo, Tsukasa; Tobita, Hiromi","A Silylyne Tungsten Complex Having an Eind Group on Silicon: Its Dimer‒Monomer Equilibrium and Cycloaddition Reactions with Carbodiimide and Diaryl Ketones","Organometallics","2016","35","20","3444","","10.1021/acs.organomet.6b00670","","","0.71073","MoKα","","0.095","0.0746","","","0.1566","0.1667","","","","","","1.172","","","","has coordinates","237954","2020-10-21","18:00:00",""
"4089054","11.9621","0.0001","13.1248","0.0001","22.4795","0.0008","86.6323","0.0009","80.8412","0.0014","69.4944","0.0012","3263.5","0.13","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C74 H98 O5 Si W -","- C74 H98 O5 Si W -","- C148 H196 O10 Si2 W2 -","2","1","","Yoshimoto, Takashi; Hashimoto, Hisako; Hayakawa, Naoki; Matsuo, Tsukasa; Tobita, Hiromi","A Silylyne Tungsten Complex Having an Eind Group on Silicon: Its Dimer‒Monomer Equilibrium and Cycloaddition Reactions with Carbodiimide and Diaryl Ketones","Organometallics","2016","35","20","3444","","10.1021/acs.organomet.6b00670","","","0.71073","MoKα","","0.1061","0.0875","","","0.1963","0.2056","","","","","","1.17","","","","has coordinates","237954","2020-10-21","18:00:00",""
"4089055","7.8184","0.0013","13.242","0.002","20.089","0.003","90","","90","","90","","2079.8","0.6","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C21 H26 I N3 -","- C21 H26 I N3 -","- C84 H104 I4 N12 -","4","1","","Hettmanczyk, Lara; Schulze, Dennis; Suntrup, Lisa; Sarkar, Biprajit","Mono- and Digold(I) Complexes with Mesoionic Carbenes: Structural Characterization and Use in Catalytic Silver-Free Oxazoline Formation","Organometallics","2016","35","22","3828","","10.1021/acs.organomet.6b00675","","","0.71073","MoKα","","0.043","0.0364","","","0.0758","0.0794","","","","","","1.149","","","","has coordinates","237956","2020-10-21","18:00:00",""
"4089056","9.177","0.005","14.734","0.005","19.948","0.005","90","0.005","90","0.005","90","0.005","2697.2","1.9","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C27 H37 Au Cl N3 -","- C27 H37 Au Cl N3 -","- C108 H148 Au4 Cl4 N12 -","4","1","","Hettmanczyk, Lara; Schulze, Dennis; Suntrup, Lisa; Sarkar, Biprajit","Mono- and Digold(I) Complexes with Mesoionic Carbenes: Structural Characterization and Use in Catalytic Silver-Free Oxazoline Formation","Organometallics","2016","35","22","3828","","10.1021/acs.organomet.6b00675","","","0.71069","MoKα","","0.0449","0.0362","","","0.0742","0.0768","","","","","","1.039","","","","has coordinates","237956","2020-10-21","18:00:00",""
"4089057","7.204","0.0019","12.403","0.003","23.705","0.006","90","","92.439","0.005","90","","2116.2","0.9","140","2","140","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C21 H25 Au Cl N3 -","- C21 H25 Au Cl N3 -","- C84 H100 Au4 Cl4 N12 -","4","1","","Hettmanczyk, Lara; Schulze, Dennis; Suntrup, Lisa; Sarkar, Biprajit","Mono- and Digold(I) Complexes with Mesoionic Carbenes: Structural Characterization and Use in Catalytic Silver-Free Oxazoline Formation","Organometallics","2016","35","22","3828","","10.1021/acs.organomet.6b00675","","","0.71073","MoKα","","0.0689","0.0379","","","0.0716","0.0816","","","","","","1.049","","","","has coordinates","237956","2020-10-21","18:00:00",""
"4089058","13.423","0.004","16.26","0.004","15.29","0.004","90","","91.597","0.006","90","","3335.9","1.6","140","2","140","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C30 H40 Au2 Cl2 N6 -","- C30 H40 Au2 Cl2 N6 -","- C120 H160 Au8 Cl8 N24 -","4","1","","Hettmanczyk, Lara; Schulze, Dennis; Suntrup, Lisa; Sarkar, Biprajit","Mono- and Digold(I) Complexes with Mesoionic Carbenes: Structural Characterization and Use in Catalytic Silver-Free Oxazoline Formation","Organometallics","2016","35","22","3828","","10.1021/acs.organomet.6b00675","","","0.71073","MoKα","","0.0905","0.042","","","0.0931","0.1247","","","","","","1.052","","","","has coordinates","237956","2020-10-21","18:00:00",""
"4089059","8.2491","0.0005","11.6481","0.0008","27.725","0.002","90","","90","","90","","2664","0.3","100","2","100","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C24 H28 Au2 Cl2 N6 -","- C24 H28 Au2 Cl2 N6 -","- C96 H112 Au8 Cl8 N24 -","4","0.5","","Hettmanczyk, Lara; Schulze, Dennis; Suntrup, Lisa; Sarkar, Biprajit","Mono- and Digold(I) Complexes with Mesoionic Carbenes: Structural Characterization and Use in Catalytic Silver-Free Oxazoline Formation","Organometallics","2016","35","22","3828","","10.1021/acs.organomet.6b00675","","","0.71073","MoKα","","0.0666","0.0435","","","0.1172","0.1294","","","","","","1.052","","","","has coordinates","237956","2020-10-21","18:00:00",""
"4089060","9.4705","0.0004","14.2282","0.0007","16.6636","0.0008","64.937","0.005","77.248","0.004","72.437","0.004","1927.9","0.18","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C37 H47 B10 N4 O P -","- C37 H47 B10 N4 O P -","- C74 H94 B20 N8 O2 P2 -","2","1","","Bolotin, Dmitrii S.; Burianova, Valeria K.; Novikov, Alexander S.; Demakova, Marina Ya.; Pretorius, Carla; Mokolokolo, Pennie Petrus; Roodt, Andreas; Bokach, Nadezhda A.; Suslonov, Vitaliy V.; Zhdanov, Andrey P.; Zhizhin, Konstantin Yu.; Kuznetsov, Nikolay T.; Kukushkin, Vadim Yu.","Nucleophilicity of Oximes Based upon Addition to a Nitriliumcloso-Decaborate Cluster","Organometallics","2016","35","20","3612","","10.1021/acs.organomet.6b00678","","x-ray","1.54184","CuKα","","0.0526","0.0421","","","0.1078","0.1168","","","","","","1.035","","","","has coordinates","237958","2020-10-21","18:00:00",""
"4089061","9.9583","0.0003","12.4732","0.0004","15.1134","0.0005","75.084","0.003","85.019","0.003","84.536","0.003","1801.97","0.1","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C33 H47 B10 N4 O2 P -","- C33 H47 B10 N4 O2 P -","- C66 H94 B20 N8 O4 P2 -","2","1","","Bolotin, Dmitrii S.; Burianova, Valeria K.; Novikov, Alexander S.; Demakova, Marina Ya.; Pretorius, Carla; Mokolokolo, Pennie Petrus; Roodt, Andreas; Bokach, Nadezhda A.; Suslonov, Vitaliy V.; Zhdanov, Andrey P.; Zhizhin, Konstantin Yu.; Kuznetsov, Nikolay T.; Kukushkin, Vadim Yu.","Nucleophilicity of Oximes Based upon Addition to a Nitriliumcloso-Decaborate Cluster","Organometallics","2016","35","20","3612","","10.1021/acs.organomet.6b00678","","x-ray","1.54184","CuKα","","0.0806","0.0795","","","0.1638","0.1642","","","","","","1.283","","","","has coordinates,has disorder","237958","2020-10-21","18:00:00",""
"4089062","11.3716","0.0002","17.977","0.0007","19.6497","0.0008","76.584","0.003","89.932","0.003","78.878","0.003","3829.9","0.2","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C37 H47.5 B10 N3.5 O P -","- C37 H47.5 B10 N3.5 O P -","- C148 H190 B40 N14 O4 P4 -","4","2","","Bolotin, Dmitrii S.; Burianova, Valeria K.; Novikov, Alexander S.; Demakova, Marina Ya.; Pretorius, Carla; Mokolokolo, Pennie Petrus; Roodt, Andreas; Bokach, Nadezhda A.; Suslonov, Vitaliy V.; Zhdanov, Andrey P.; Zhizhin, Konstantin Yu.; Kuznetsov, Nikolay T.; Kukushkin, Vadim Yu.","Nucleophilicity of Oximes Based upon Addition to a Nitriliumcloso-Decaborate Cluster","Organometallics","2016","35","20","3612","","10.1021/acs.organomet.6b00678","","x-ray","1.54184","CuKα","","0.0556","0.0491","","","0.1337","0.1406","","","","","","1.027","","","","has coordinates","252331","2020-10-21","18:00:00",""
"4089063","16.1998","0.0006","12.8001","0.0004","18.7831","0.0007","90","","104.362","0.004","90","","3773.1","0.2","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C36 H45 B10 N4 O P -","- C36 H45 B10 N4 O P -","- C144 H180 B40 N16 O4 P4 -","4","1","","Bolotin, Dmitrii S.; Burianova, Valeria K.; Novikov, Alexander S.; Demakova, Marina Ya.; Pretorius, Carla; Mokolokolo, Pennie Petrus; Roodt, Andreas; Bokach, Nadezhda A.; Suslonov, Vitaliy V.; Zhdanov, Andrey P.; Zhizhin, Konstantin Yu.; Kuznetsov, Nikolay T.; Kukushkin, Vadim Yu.","Nucleophilicity of Oximes Based upon Addition to a Nitriliumcloso-Decaborate Cluster","Organometallics","2016","35","20","3612","","10.1021/acs.organomet.6b00678","","","0.71073","MoKα","","0.0537","0.042","","","0.1041","0.1115","","","","","","1.026","","","","has coordinates","237958","2020-10-21","18:00:00",""
"4089064","11.3975","0.0003","18.5885","0.0005","19.696","0.0003","70.5087","0.0018","88.8007","0.0016","79.0086","0.0019","3857.43","0.17","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C37 H48 B10 N3 O P -","- C37 H48 B10 N3 O P -","- C148 H192 B40 N12 O4 P4 -","4","2","","Bolotin, Dmitrii S.; Burianova, Valeria K.; Novikov, Alexander S.; Demakova, Marina Ya.; Pretorius, Carla; Mokolokolo, Pennie Petrus; Roodt, Andreas; Bokach, Nadezhda A.; Suslonov, Vitaliy V.; Zhdanov, Andrey P.; Zhizhin, Konstantin Yu.; Kuznetsov, Nikolay T.; Kukushkin, Vadim Yu.","Nucleophilicity of Oximes Based upon Addition to a Nitriliumcloso-Decaborate Cluster","Organometallics","2016","35","20","3612","","10.1021/acs.organomet.6b00678","","x-ray","1.54184","CuKα","","0.0441","0.039","","","0.1074","0.1123","","","","","","1.059","","","","has coordinates","237958","2020-10-21","18:00:00",""
"4089065","10.0492","0.0006","11.5413","0.0005","18.0725","0.0009","101.119","0.004","104.098","0.005","95.257","0.004","1973.5","0.19","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C37 H48 B10 N3 O P -","- C37 H48 B10 N3 O P -","- C74 H96 B20 N6 O2 P2 -","2","1","","Bolotin, Dmitrii S.; Burianova, Valeria K.; Novikov, Alexander S.; Demakova, Marina Ya.; Pretorius, Carla; Mokolokolo, Pennie Petrus; Roodt, Andreas; Bokach, Nadezhda A.; Suslonov, Vitaliy V.; Zhdanov, Andrey P.; Zhizhin, Konstantin Yu.; Kuznetsov, Nikolay T.; Kukushkin, Vadim Yu.","Nucleophilicity of Oximes Based upon Addition to a Nitriliumcloso-Decaborate Cluster","Organometallics","2016","35","20","3612","","10.1021/acs.organomet.6b00678","","","0.71073","MoKα","","0.0551","0.0442","","","0.11","0.1174","","","","","","1.067","","","","has coordinates","237958","2020-10-21","18:00:00",""
"4089066","22.961","0.003","8.1876","0.001","14.2393","0.0017","90","","90","","90","","2676.9","0.6","173","2","173","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C23 H42 Cl Cr N P2 -","- C23 H42 Cl Cr N P2 -","- C92 H168 Cl4 Cr4 N4 P8 -","4","1","","Simler, Thomas; Braunstein, Pierre; Danopoulos, Andreas A.","Chromium(II) Pincer Complexes with Dearomatized PNP and PNC Ligands: A Comparative Study of Their Catalytic Ethylene Oligomerization Activity","Organometallics","2016","35","24","4044","","10.1021/acs.organomet.6b00685","","","0.71073","MoKα","","0.1077","0.0679","","","0.1011","0.1135","","","","","","1.087","","","","has coordinates","237960","2020-10-21","18:00:00",""
"4089067","9.7839","0.0003","10.4952","0.0003","39.8958","0.0011","86.246","0.0014","83.4103","0.0013","62.6492","0.0013","3614.28","0.19","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C36 H66 Cl Hf N3 -","- C36 H66 Cl Hf N3 -","- C144 H264 Cl4 Hf4 N12 -","4","2","","Adler, Christian; Frerichs, Nils; Schmidtmann, Marc; Beckhaus, Rüdiger","Zwitterionic d0Metal Complexes [(Cy2N)3M]+[(μ-Me)B(C6F5)3]−(M = Ti, Zr, Hf) Derived from Tris(dicyclohexylamido)methyl Metal Precursors","Organometallics","2016","35","21","3728","","10.1021/acs.organomet.6b00688","","","0.71073","MoKα","","0.0503","0.0384","","","0.0737","0.0769","","","","","","1.137","","","","has coordinates,has disorder","237962","2020-10-21","18:00:00",""
"4089068","9.8267","0.0004","18.5968","0.0008","39.7906","0.0017","90","","90.6034","0.0019","90","","7271.1","0.5","100","2","100","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C37 H69 Hf N3 -","- C37 H69 Hf N3 -","- C296 H552 Hf8 N24 -","8","2","","Adler, Christian; Frerichs, Nils; Schmidtmann, Marc; Beckhaus, Rüdiger","Zwitterionic d0Metal Complexes [(Cy2N)3M]+[(μ-Me)B(C6F5)3]−(M = Ti, Zr, Hf) Derived from Tris(dicyclohexylamido)methyl Metal Precursors","Organometallics","2016","35","21","3728","","10.1021/acs.organomet.6b00688","","","0.71073","MoKα","","0.0371","0.0347","","","0.0725","0.0731","","","","","","1.26","","","","has coordinates,has disorder","237962","2020-10-21","18:00:00",""
"4089069","16.927","0.0004","16.927","0.0004","39.8167","0.0012","90","","90","","120","","9880","0.4","100","2","100","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C72.5 H89 B F15 N3 Ti -","- C72.4994 H88.9992 B F15 N3 Ti -","- C434.996 H533.995 B6 F90 N18 Ti6 -","6","0.333333","","Adler, Christian; Frerichs, Nils; Schmidtmann, Marc; Beckhaus, Rüdiger","Zwitterionic d0Metal Complexes [(Cy2N)3M]+[(μ-Me)B(C6F5)3]−(M = Ti, Zr, Hf) Derived from Tris(dicyclohexylamido)methyl Metal Precursors","Organometallics","2016","35","21","3728","","10.1021/acs.organomet.6b00688","","","0.71073","MoKα","","0.0722","0.0482","","","0.1118","0.1272","","","","","","1.002","","","","has coordinates,has disorder","237962","2020-10-21","18:00:00",""
"4089070","25.1423","0.0008","12.1416","0.0004","17.4552","0.0006","90","","90","","90","","5328.5","0.3","100","2","100","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C55 H69 B F15 N3 Zr -","- C55 H69 B F15 N3 Zr -","- C220 H276 B4 F60 N12 Zr4 -","4","1","","Adler, Christian; Frerichs, Nils; Schmidtmann, Marc; Beckhaus, Rüdiger","Zwitterionic d0Metal Complexes [(Cy2N)3M]+[(μ-Me)B(C6F5)3]−(M = Ti, Zr, Hf) Derived from Tris(dicyclohexylamido)methyl Metal Precursors","Organometallics","2016","35","21","3728","","10.1021/acs.organomet.6b00688","","","0.71073","MoKα","","0.0567","0.0371","","","0.0679","0.0742","","","","","","1.031","","","","has coordinates","237962","2020-10-21","18:00:00",""
"4089071","19.1878","0.0006","19.1878","0.0006","29.155","0.0012","90","","90","","120","","9296","0.6","100","2","100","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C64 H90 B F15 Hf N3 -","- C64 H90 B F15 Hf N3 -","- C384 H540 B6 F90 Hf6 N18 -","6","0.333333","","Adler, Christian; Frerichs, Nils; Schmidtmann, Marc; Beckhaus, Rüdiger","Zwitterionic d0Metal Complexes [(Cy2N)3M]+[(μ-Me)B(C6F5)3]−(M = Ti, Zr, Hf) Derived from Tris(dicyclohexylamido)methyl Metal Precursors","Organometallics","2016","35","21","3728","","10.1021/acs.organomet.6b00688","","","0.71073","MoKα","","0.0514","0.0356","","","0.0768","0.0825","","","","","","1.151","","","","has coordinates,has disorder","237962","2020-10-21","18:00:00",""
"4089072","10.559","0.005","14.185","0.007","18.025","0.009","90","","104.966","0.012","90","","2608","2","150","2","150","2","","","","","","","","6","P 1 n 1","P -2yac","7","","","","- C48 H54 Cl2 Ge2 N2 P2 -","- C48 H54 Cl2 Ge2 N2 P2 -","- C96 H108 Cl4 Ge4 N4 P4 -","2","1","","Pal, Shiv; Dasgupta, Rajarshi; Khan, Shabana","Acyclic α-Phosphinoamido-Germylene: Synthesis and Characterization","Organometallics","2016","35","20","3635","","10.1021/acs.organomet.6b00689","","","0.71073","MoKα","","0.1151","0.0684","","","0.1315","0.1458","","","","","","0.968","","","","has coordinates","237964","2020-10-21","18:00:00",""
"4089073","10.754","0.002","17.66","0.003","22.507","0.004","95.526","0.005","91.93","0.006","90.621","0.005","4251.7","1.3","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C48 H54 Ge N2 P2 -","- C48 H54 Ge N2 P2 -","- C192 H216 Ge4 N8 P8 -","4","2","","Pal, Shiv; Dasgupta, Rajarshi; Khan, Shabana","Acyclic α-Phosphinoamido-Germylene: Synthesis and Characterization","Organometallics","2016","35","20","3635","","10.1021/acs.organomet.6b00689","","","0.71073","MoKα","","0.1447","0.0644","","","0.1276","0.1577","","","","","","1.013","","","","has coordinates","237964","2020-10-21","18:00:00",""
"4089074","9.348","0.005","12.975","0.006","19.947","0.009","105.161","0.012","94.562","0.013","105.937","0.013","2215.4","1.9","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C48 H54 Ge2 N2 O P2 -","- C48 H54 Ge2 N2 O P2 -","- C96 H108 Ge4 N4 O2 P4 -","2","1","","Pal, Shiv; Dasgupta, Rajarshi; Khan, Shabana","Acyclic α-Phosphinoamido-Germylene: Synthesis and Characterization","Organometallics","2016","35","20","3635","","10.1021/acs.organomet.6b00689","","","0.71073","MoKα","","0.0629","0.0414","","","0.0878","0.0957","","","","","","1.089","","","","has coordinates","237964","2020-10-21","18:00:00",""
"4089075","14.749","0.003","25.236","0.003","15.471","0.002","90","","91.638","0.013","90","","5756","1.5","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C32 H39 Cl O3 Ru -","- C32 H39 Cl O3 Ru -","- C256 H312 Cl8 O24 Ru8 -","8","2","","Pettinari, Riccardo; Marchetti, Fabio; Petrini, Agnese; Pettinari, Claudio; Lupidi, Giulio; Smoleński, Piotr; Scopelliti, Rosario; Riedel, Tina; Dyson, Paul J.","From Sunscreen to Anticancer Agent: Ruthenium(II) Arene Avobenzone Complexes Display Potent Anticancer Activity","Organometallics","2016","35","21","3734","","10.1021/acs.organomet.6b00694","","","0.71073","MoKα","","0.1092","0.091","","","0.1894","0.1983","","","","","","1.286","","","","has coordinates,has disorder","237966","2020-10-21","18:00:00",""
"4089076","8.5895","0.0012","10.1957","0.0008","16.2215","0.0016","75.318","0.007","76.184","0.008","80.418","0.009","1326","0.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H35 Cl O3 Ru -","- C30 H35 Cl O3 Ru -","- C60 H70 Cl2 O6 Ru2 -","2","1","","Pettinari, Riccardo; Marchetti, Fabio; Petrini, Agnese; Pettinari, Claudio; Lupidi, Giulio; Smoleński, Piotr; Scopelliti, Rosario; Riedel, Tina; Dyson, Paul J.","From Sunscreen to Anticancer Agent: Ruthenium(II) Arene Avobenzone Complexes Display Potent Anticancer Activity","Organometallics","2016","35","21","3734","","10.1021/acs.organomet.6b00694","","","0.71073","MoKα","","0.0903","0.0588","","","0.1164","0.1323","","","","","","1.074","","","","has coordinates","237967","2020-10-21","18:00:00",""
"4089077","15.2577","0.0006","23.8027","0.0009","20.2814","0.0008","90","","91.242","0.001","90","","7364","0.5","153","2","153","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C59 H83 I8 O Sm4 -","- C59 H83 I8 O Sm4 -","- C236 H332 I32 O4 Sm16 -","4","1","","Bienfait, André M.; Wolf, Benjamin M.; Törnroos, Karl W.; Anwander, Reiner","Donor-Solvent-Dependent Cluster Formation of (C5Me5)SmI2(THF)x-Type Half-Sandwich Complexes","Organometallics","2016","35","21","3743","","10.1021/acs.organomet.6b00695","","","0.71073","MoKα","","0.0527","0.0392","","","0.1038","0.1102","","","","","","1.044","","","","has coordinates","237969","2020-10-21","18:00:00",""
"4089078","20.1017","0.0014","25.3863","0.0017","25.8617","0.0018","90","","106.072","0.001","90","","12681.6","1.5","123","2","123","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C41.5 H65 I6 O2 Sm3 -","- C41.5 H65 I6 O2 Sm3 -","- C332 H520 I48 O16 Sm24 -","8","2","","Bienfait, André M.; Wolf, Benjamin M.; Törnroos, Karl W.; Anwander, Reiner","Donor-Solvent-Dependent Cluster Formation of (C5Me5)SmI2(THF)x-Type Half-Sandwich Complexes","Organometallics","2016","35","21","3743","","10.1021/acs.organomet.6b00695","","","0.71073","MoKα","","0.1072","0.0986","","","0.2193","0.2232","","","","","","1.173","","","","has coordinates","252052","2020-10-21","18:00:00",""
"4089079","15.096","0.001","23.5926","0.0015","20.2958","0.0013","90","","90.718","0.001","90","","7227.9","0.8","103","2","103","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C123 H175 I16 O2 Sm8 -","- C123 H175 I15.088 O2 Sm8 -","- C246 H350 I30.176 O4 Sm16 -","2","0.5","","Bienfait, André M.; Wolf, Benjamin M.; Törnroos, Karl W.; Anwander, Reiner","Donor-Solvent-Dependent Cluster Formation of (C5Me5)SmI2(THF)x-Type Half-Sandwich Complexes","Organometallics","2016","35","21","3743","","10.1021/acs.organomet.6b00695","","","0.71073","MoKα","","0.06","0.0416","","","0.091","0.0982","","","","","","1.038","","","","has coordinates","237972","2020-10-21","18:00:00",""
"4089080","42.013","0.003","42.013","0.003","8.965","0.0007","90","","90","","120","","13704","1.7","123","2","123","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C22 H39 I2 O3 Sm -","- C22 H39 I2 O3 Sm -","- C396 H702 I36 O54 Sm18 -","18","1","","Bienfait, André M.; Wolf, Benjamin M.; Törnroos, Karl W.; Anwander, Reiner","Donor-Solvent-Dependent Cluster Formation of (C5Me5)SmI2(THF)x-Type Half-Sandwich Complexes","Organometallics","2016","35","21","3743","","10.1021/acs.organomet.6b00695","","","0.71073","MoKα","","0.0597","0.0416","","","0.1187","0.1264","","","","","","1.08","","","","has coordinates,has disorder","237973","2020-10-21","18:00:00",""
"4089081","15.1794","0.0007","20.7868","0.0009","24.9829","0.0011","90","","98.642","0.001","90","","7793.4","0.6","123","2","123","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C57 H83 I9 Sm5 -","- C57 H83 I9 Sm5 -","- C228 H332 I36 Sm20 -","4","1","","Bienfait, André M.; Wolf, Benjamin M.; Törnroos, Karl W.; Anwander, Reiner","Donor-Solvent-Dependent Cluster Formation of (C5Me5)SmI2(THF)x-Type Half-Sandwich Complexes","Organometallics","2016","35","21","3743","","10.1021/acs.organomet.6b00695","","","0.71073","MoKα","","0.0818","0.072","","","0.1689","0.1749","","","","","","1.092","","","","has coordinates","237975","2020-10-21","18:00:00",""
"4089082","12.70561","0.00018","14.9295","0.0003","13.7143","0.0002","90","","93.1156","0.0013","90","","2597.6","0.07","150","2","150","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C27 H33 F2 I N P Pt -","- C27 H33 F2 I N P Pt -","- C108 H132 F8 I4 N4 P4 Pt4 -","4","1","","Shaw, Paul A.; Clarkson, Guy J.; Rourke, Jonathan P.","Long-Lived Five-Coordinate Platinum(IV) Intermediates: Regiospecific C‒C Coupling","Organometallics","2016","35","21","3751","","10.1021/acs.organomet.6b00697","","x-ray","0.71073","MoKα","","0.0381","0.0271","","","0.0672","0.0867","","","","","","1.149","","","","has coordinates","237977","2020-10-21","18:00:00",""
"4089083","10.2244","0.0003","17.8517","0.0005","16.3216","0.0004","90","","94.312","0.003","90","","2970.63","0.14","150","2","150","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C29.87 H38.6 F2 I1.13 N P Pt -","- C29.867 H38.601 F2 I1.133 N P Pt -","- C119.468 H154.404 F8 I4.532 N4 P4 Pt4 -","4","1","","Shaw, Paul A.; Clarkson, Guy J.; Rourke, Jonathan P.","Long-Lived Five-Coordinate Platinum(IV) Intermediates: Regiospecific C‒C Coupling","Organometallics","2016","35","21","3751","","10.1021/acs.organomet.6b00697","","x-ray","0.71073","MoKα","","0.0443","0.0342","","","0.0804","0.0856","","","","","","1.043","","","","has coordinates,has disorder","237977","2020-10-21","18:00:00",""
"4089084","17.1855","0.0002","12.17889","0.00016","13.62801","0.00018","90","","106.936","0.0013","90","","2728.65","0.06","150","2","150","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C27 H33 F2 I N P Pt -","- C27 H33 F2 I N P Pt -","- C108 H132 F8 I4 N4 P4 Pt4 -","4","1","","Shaw, Paul A.; Clarkson, Guy J.; Rourke, Jonathan P.","Long-Lived Five-Coordinate Platinum(IV) Intermediates: Regiospecific C‒C Coupling","Organometallics","2016","35","21","3751","","10.1021/acs.organomet.6b00697","","x-ray","1.54184","CuKα","","0.038","0.0364","","","0.0989","0.1012","","","","","","1.068","","","","has coordinates","237977","2020-10-21","18:00:00",""
"4089085","17.9485","0.0002","12.31107","0.00018","13.88543","0.00018","90","","110.091","0.0015","90","","2881.49","0.07","150","2","150","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C30 H39 F2 I N P Pt -","- C30 H39 F2 I N P Pt -","- C120 H156 F8 I4 N4 P4 Pt4 -","4","1","","Shaw, Paul A.; Clarkson, Guy J.; Rourke, Jonathan P.","Long-Lived Five-Coordinate Platinum(IV) Intermediates: Regiospecific C‒C Coupling","Organometallics","2016","35","21","3751","","10.1021/acs.organomet.6b00697","","x-ray","0.71073","MoKα","","0.047","0.0295","","","0.0571","0.0652","","","","","","1.067","","","","has coordinates","237977","2020-10-21","18:00:00",""
"4089086","9.9623","0.0003","9.2215","0.0003","27.2996","0.0008","90","","100.217","0.003","90","","2468.17","0.13","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C27 H32 F2 N P Pt -","- C27 H32 F2 N P Pt -","- C108 H128 F8 N4 P4 Pt4 -","4","1","","Shaw, Paul A.; Clarkson, Guy J.; Rourke, Jonathan P.","Long-Lived Five-Coordinate Platinum(IV) Intermediates: Regiospecific C‒C Coupling","Organometallics","2016","35","21","3751","","10.1021/acs.organomet.6b00697","","x-ray","0.71073","MoKα","","0.0811","0.0535","","","0.1315","0.1524","","","","","","1.155","","","","has coordinates","237977","2020-10-21","18:00:00",""
"4089087","8.56227","0.00007","17.96588","0.00015","18.2447","0.00015","90","","96.9421","0.0008","90","","2785.98","0.04","150","2","150","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C28 H35 F2 I N P Pt -","- C28 H35 F2 I N P Pt -","- C112 H140 F8 I4 N4 P4 Pt4 -","4","1","","Shaw, Paul A.; Clarkson, Guy J.; Rourke, Jonathan P.","Long-Lived Five-Coordinate Platinum(IV) Intermediates: Regiospecific C‒C Coupling","Organometallics","2016","35","21","3751","","10.1021/acs.organomet.6b00697","","x-ray","0.71073","MoKα","","0.0306","0.0223","","","0.0413","0.0437","","","","","","1.054","","","","has coordinates","237977","2020-10-21","18:00:00",""
"4089088","15.435","0.012","25.112","0.019","25.7","0.019","90","","90","","90","","9961","13","120","2","120","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C124 H94 Cu2 P8 -","- C124 H94 Cu2 P8 -","- C496 H376 Cu8 P32 -","4","0.5","","Belyaev, Andrey; Dau, Thuy Minh; Jänis, Janne; Grachova, Elena V.; Tunik, Sergey P.; Koshevoy, Igor O.","Low-Nuclearity Alkynyl d10Clusters Supported by Chelating Multidentate Phosphines","Organometallics","2016","35","21","3763","","10.1021/acs.organomet.6b00701","","","0.71073","MoKα","","0.0754","0.0479","","","0.1129","0.1261","","","","","","1.03","","","","has coordinates,has disorder","237980","2020-10-21","18:00:00",""
"4089089","20.8225","0.0017","15.2006","0.0013","22.2802","0.0018","90","","103.128","0.002","90","","6867.7","1","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C80 H61 Cl4 Cu3 P4 -","- C80 H61 Cl4 Cu3 P4 -","- C320 H244 Cl16 Cu12 P16 -","4","1","","Belyaev, Andrey; Dau, Thuy Minh; Jänis, Janne; Grachova, Elena V.; Tunik, Sergey P.; Koshevoy, Igor O.","Low-Nuclearity Alkynyl d10Clusters Supported by Chelating Multidentate Phosphines","Organometallics","2016","35","21","3763","","10.1021/acs.organomet.6b00701","","","0.71073","MoKα","","0.0596","0.0454","","","0.1226","0.1298","","","","","","1.036","","","","has coordinates","237980","2020-10-21","18:00:00",""
"4089090","13.2568","0.0012","18.0465","0.0016","15.1861","0.0013","90","","115.132","0.002","90","","3289.2","0.5","150","2","150","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C65 H53 Ag3 Cl8 P4 -","- C65 H53 Ag3 Cl8 P4 -","- C130 H106 Ag6 Cl16 P8 -","2","1","","Belyaev, Andrey; Dau, Thuy Minh; Jänis, Janne; Grachova, Elena V.; Tunik, Sergey P.; Koshevoy, Igor O.","Low-Nuclearity Alkynyl d10Clusters Supported by Chelating Multidentate Phosphines","Organometallics","2016","35","21","3763","","10.1021/acs.organomet.6b00701","","","0.71073","MoKα","","0.0613","0.0586","","","0.1537","0.1556","","","","","","1.101","","","","has coordinates","237980","2020-10-21","18:00:00",""
"4089091","18.233","0.004","26.789","0.006","27.271","0.006","90","","90","","90","","13320","5","150","2","150","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C127 H100 Ag6 Br4 O P8 -","- C127 H100 Ag6 Br4 O P8 -","- C508 H400 Ag24 Br16 O4 P32 -","4","0.5","","Belyaev, Andrey; Dau, Thuy Minh; Jänis, Janne; Grachova, Elena V.; Tunik, Sergey P.; Koshevoy, Igor O.","Low-Nuclearity Alkynyl d10Clusters Supported by Chelating Multidentate Phosphines","Organometallics","2016","35","21","3763","","10.1021/acs.organomet.6b00701","","","0.71073","MoKα","","0.0664","0.0465","","","0.1296","0.1431","","","","","","1.048","","","","has coordinates","237980","2020-10-21","18:00:00",""
"4089092","10.9071","0.0008","30.125","0.002","17.9273","0.0014","90","","105.118","0.002","90","","5686.6","0.7","120","2","120","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C65 H53 Cu2 F6 O P5 -","- C65 H53 Cu2 F6 O P5 -","- C260 H212 Cu8 F24 O4 P20 -","4","1","","Belyaev, Andrey; Dau, Thuy Minh; Jänis, Janne; Grachova, Elena V.; Tunik, Sergey P.; Koshevoy, Igor O.","Low-Nuclearity Alkynyl d10Clusters Supported by Chelating Multidentate Phosphines","Organometallics","2016","35","21","3763","","10.1021/acs.organomet.6b00701","","","0.71073","MoKα","","0.0661","0.0469","","","0.1263","0.1376","","","","","","1.029","","","","has coordinates","237980","2020-10-21","18:00:00",""
"4089093","13.96","0.004","14.277","0.004","16.035","0.005","79.07","0.006","77.794","0.005","74.218","0.006","2976.1","1.5","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C130 H106 Ag4 F12 O2 P10 -","- C130 H106 Ag4 F12 O2 P10 -","- C130 H106 Ag4 F12 O2 P10 -","1","0.5","","Belyaev, Andrey; Dau, Thuy Minh; Jänis, Janne; Grachova, Elena V.; Tunik, Sergey P.; Koshevoy, Igor O.","Low-Nuclearity Alkynyl d10Clusters Supported by Chelating Multidentate Phosphines","Organometallics","2016","35","21","3763","","10.1021/acs.organomet.6b00701","","","0.71073","MoKα","","0.0333","0.029","","","0.073","0.076","","","","","","1.026","","","","has coordinates","237980","2020-10-21","18:00:00",""
"4089094","10.788","0.012","17.03","0.02","17.42","0.02","98.904","0.018","98.603","0.012","91.2","0.04","3123","6","120","2","120","2","","","","","","","","7","P -1","-P 1","2","","","","- C125 H96 Au2 Cl2 Cu2 F12 P10 -","- C125 H96 Au2 Cl2 Cu2 F12 P10 -","- C125 H96 Au2 Cl2 Cu2 F12 P10 -","1","0.5","","Belyaev, Andrey; Dau, Thuy Minh; Jänis, Janne; Grachova, Elena V.; Tunik, Sergey P.; Koshevoy, Igor O.","Low-Nuclearity Alkynyl d10Clusters Supported by Chelating Multidentate Phosphines","Organometallics","2016","35","21","3763","","10.1021/acs.organomet.6b00701","","","0.71073","MoKα","","0.0716","0.0463","","","0.1051","0.1125","","","","","","1.033","","","","has coordinates","237980","2020-10-21","18:00:00",""
"4089095","10.933","0.005","30.07","0.013","18.018","0.008","90","","105.288","0.008","90","","5714","4","120","2","120","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C63 H59 Au Cu F6 O2 P5 -","- C63 H59 Au Cu F6 O2 P5 -","- C252 H236 Au4 Cu4 F24 O8 P20 -","4","1","","Belyaev, Andrey; Dau, Thuy Minh; Jänis, Janne; Grachova, Elena V.; Tunik, Sergey P.; Koshevoy, Igor O.","Low-Nuclearity Alkynyl d10Clusters Supported by Chelating Multidentate Phosphines","Organometallics","2016","35","21","3763","","10.1021/acs.organomet.6b00701","","","0.71073","MoKα","","0.055","0.0359","","","0.0638","0.0696","","","","","","1.067","","","","has coordinates","237980","2020-10-21","18:00:00",""
"4089096","21.974","0.009","20.503","0.01","26.6","0.011","90","","90","","90","","11984","9","120","2","120","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C69 H53 Au Cu F6 O P5 -","- C69 H53 Au Cu F6 O P5 -","- C552 H424 Au8 Cu8 F48 O8 P40 -","8","1","","Belyaev, Andrey; Dau, Thuy Minh; Jänis, Janne; Grachova, Elena V.; Tunik, Sergey P.; Koshevoy, Igor O.","Low-Nuclearity Alkynyl d10Clusters Supported by Chelating Multidentate Phosphines","Organometallics","2016","35","21","3763","","10.1021/acs.organomet.6b00701","","","0.71073","MoKα","","0.0675","0.0437","","","0.0812","0.0892","","","","","","1.029","","","","has coordinates","237980","2020-10-21","18:00:00",""
"4089097","17.2489","0.0011","19.4046","0.0013","36.263","0.002","90","","99.882","0.002","90","","11957.4","1.3","150","2","150","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C128 H104 Ag2 Au2 F12 O P10 -","- C128 H104 Ag2 Au2 F12 O P10 -","- C512 H416 Ag8 Au8 F48 O4 P40 -","4","1","","Belyaev, Andrey; Dau, Thuy Minh; Jänis, Janne; Grachova, Elena V.; Tunik, Sergey P.; Koshevoy, Igor O.","Low-Nuclearity Alkynyl d10Clusters Supported by Chelating Multidentate Phosphines","Organometallics","2016","35","21","3763","","10.1021/acs.organomet.6b00701","","","0.71073","MoKα","","0.054","0.0364","","","0.084","0.0908","","","","","","1.049","","","","has coordinates,has disorder","237980","2020-10-21","18:00:00",""
"4089098","14.3832","0.0015","26.295","0.004","19.207","0.003","90","","100.27","0.01","90","","7147.8","1.7","120","2","120","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C139 H108 Ag2 Au2 Cl2 F12 O2 P10 -","- C139 H108 Ag2 Au2 Cl2 F12 O2 P10 -","- C278 H216 Ag4 Au4 Cl4 F24 O4 P20 -","2","0.5","","Belyaev, Andrey; Dau, Thuy Minh; Jänis, Janne; Grachova, Elena V.; Tunik, Sergey P.; Koshevoy, Igor O.","Low-Nuclearity Alkynyl d10Clusters Supported by Chelating Multidentate Phosphines","Organometallics","2016","35","21","3763","","10.1021/acs.organomet.6b00701","","","0.71073","MoKα","","0.0779","0.0539","","","0.1184","0.1291","","","","","","1.073","","","","has coordinates,has disorder","237980","2020-10-21","18:00:00",""
"4089099","14.063","0.009","14.2","0.008","14.29","0.008","80.091","0.009","73.063","0.012","85.962","0.011","2689","3","120","2","120","2","","","","","","","","8","P -1","-P 1","2","","","","- C115 H88 Au Cu2 F3 O7 P6 S -","- C115 H88 Au Cu2 F3 O7 P6 S -","- C115 H88 Au Cu2 F3 O7 P6 S -","1","0.5","","Belyaev, Andrey; Dau, Thuy Minh; Jänis, Janne; Grachova, Elena V.; Tunik, Sergey P.; Koshevoy, Igor O.","Low-Nuclearity Alkynyl d10Clusters Supported by Chelating Multidentate Phosphines","Organometallics","2016","35","21","3763","","10.1021/acs.organomet.6b00701","","","0.71073","MoKα","","0.0287","0.0256","","","0.0706","0.0726","","","","","","1.045","","","","has coordinates","237980","2020-10-21","18:00:00",""
"4089100","11.49","0.03","14.45","0.03","15.54","0.03","91.07","0.04","95.03","0.05","100.96","0.05","2522","10","120","2","120","2","","","","","","","","9","P -1","-P 1","2","","","","- C116 H90 Ag2 Au Cl2 F3 O7 P6 S -","- C116 H90 Ag2 Au Cl2 F3 O7 P6 S -","- C116 H90 Ag2 Au Cl2 F3 O7 P6 S -","1","0.5","","Belyaev, Andrey; Dau, Thuy Minh; Jänis, Janne; Grachova, Elena V.; Tunik, Sergey P.; Koshevoy, Igor O.","Low-Nuclearity Alkynyl d10Clusters Supported by Chelating Multidentate Phosphines","Organometallics","2016","35","21","3763","","10.1021/acs.organomet.6b00701","","","0.71073","MoKα","","0.0683","0.0538","","","0.1108","0.119","","","","","","1.107","","","","has coordinates","237980","2020-10-21","18:00:00",""
"4089101","13.2595","0.0002","13.7412","0.0002","14.1665","0.0002","100.574","0.001","107.445","0.001","100.046","0.001","2347.05","0.06","120","2","120","2","","","","","","","","8","P -1","-P 1","2","","","","- C101 H76 Ag2 Au F3 O5 P6 S -","- C101 H76 Ag2 Au F3 O5 P6 S -","- C101 H76 Ag2 Au F3 O5 P6 S -","1","0.5","","Belyaev, Andrey; Dau, Thuy Minh; Jänis, Janne; Grachova, Elena V.; Tunik, Sergey P.; Koshevoy, Igor O.","Low-Nuclearity Alkynyl d10Clusters Supported by Chelating Multidentate Phosphines","Organometallics","2016","35","21","3763","","10.1021/acs.organomet.6b00701","","","0.71073","MoKα","","0.0437","0.0389","","","0.1124","0.1175","","","","","","1.075","","","","has coordinates","237980","2020-10-21","18:00:00",""
"4089102","11.1012","0.0001","13.1064","0.0001","31.3204","0.0003","90","","90","","90","","4557.02","0.07","153","2","153","1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C58 H58 N4 O Ru -","- C58 H58 N4 O Ru -","- C232 H232 N16 O4 Ru4 -","4","1","","Paul, Daniel; Beiring, Bernhard; Plois, Markus; Ortega, Nuria; Kock, Slawomir; Schlüns, Danny; Neugebauer, Johannes; Wolf, Robert; Glorius, Frank","A Cyclometalated Ruthenium-NHC Precatalyst for the Asymmetric Hydrogenation of (Hetero)arenes and Its Activation Pathway","Organometallics","2016","35","20","3641","","10.1021/acs.organomet.6b00702","","","1.54178","CuKα","","0.0371","0.0347","","","0.0876","0.0887","","","","","","1.023","","","","has coordinates","237983","2020-10-21","18:00:00",""
"4089103","9.209","0.0004","18.2754","0.0009","21.1889","0.0009","90","","100.981","0.001","90","","3500.8","0.3","153","2","153","1","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C38 H62 N4 Ru -","- C38 H62 N4 Ru -","- C152 H248 N16 Ru4 -","4","0.5","","Paul, Daniel; Beiring, Bernhard; Plois, Markus; Ortega, Nuria; Kock, Slawomir; Schlüns, Danny; Neugebauer, Johannes; Wolf, Robert; Glorius, Frank","A Cyclometalated Ruthenium-NHC Precatalyst for the Asymmetric Hydrogenation of (Hetero)arenes and Its Activation Pathway","Organometallics","2016","35","20","3641","","10.1021/acs.organomet.6b00702","","","0.71073","MoKα","","0.0274","0.024","","","0.0597","0.0613","","","","","","1.052","","","","has coordinates","237985","2020-10-21","18:00:00",""
"4089104","15.7767","0.0005","9.8101","0.0002","16.6158","0.0005","90","","116.756","0.004","90","","2296.3","0.14","100","0.1","100","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H31 Fe N O4 -","- C24 H31 Fe N O4 -","- C96 H124 Fe4 N4 O16 -","4","1","","Bhunia, Mrinal; Sahoo, Sumeet R.; Vijaykumar, Gonela; Adhikari, Debashis; Mandal, Swadhin K.","Cyclic (Alkyl)amino Carbene Based Iron Catalyst for Regioselective Dimerization of Terminal Arylalkynes","Organometallics","2016","35","21","3775","","10.1021/acs.organomet.6b00703","","x-ray","0.71073","MoKα","","0.0388","0.034","","","0.084","0.0868","","","","","","1.067","","","","has coordinates","237987","2020-10-21","18:00:00",""
"4089105","8.9496","0.0018","18.124","0.004","11.871","0.002","90","","94.78","0.03","90","","1918.8","0.7","198","","198","","","","","","","","see text","6","P 1 21/c 1","-P 2ybc","14","","","","- C22 H22 N2 O Pt S -","- C22 H22 N2 O Pt S -","- C88 H88 N8 O4 Pt4 S4 -","4","1","","Leopold, Hendrik; Strassner, Thomas","Phosphorescent Thiazol-2-ylidene Platinum(II) Complexes with β-Ketoiminates: Single Isomer Formation by Ligand Architecture","Organometallics","2016","35","24","4050","","10.1021/acs.organomet.6b00710","","x-ray","0.71073","MoKα","","0.0532","0.0325","","","0.0859","0.0919","","","","","","1.237","","","","has coordinates","237988","2020-10-21","18:00:00",""
"4089106","8.621","0.0003","16.239","0.003","18.505","0.005","68.191","0.013","78.344","0.01","88.468","0.008","2352.3","0.8","198","","198","","","","","","","","see text","7","P -1","-P 1","2","","","","- C26.5 H25 Cl N2 O Pt S -","- C26.5 H25 Cl N2 O Pt S -","- C106 H100 Cl4 N8 O4 Pt4 S4 -","4","2","","Leopold, Hendrik; Strassner, Thomas","Phosphorescent Thiazol-2-ylidene Platinum(II) Complexes with β-Ketoiminates: Single Isomer Formation by Ligand Architecture","Organometallics","2016","35","24","4050","","10.1021/acs.organomet.6b00710","","x-ray","0.71073","MoKα","","0.0967","0.0587","","","0.1341","0.1534","","","","","","1.155","","","","has coordinates","254024","2020-10-21","18:00:00",""
"4089107","9.5717","0.0006","13.1857","0.0008","15.5566","0.0009","100.365","0.002","95.972","0.002","107.632","0.002","1814.11","0.19","100","","100","","","","","","","","","6","P 1","P 1","1","","","","- C38 H43 Br2 Fe2 N P2 -","- C38 H43 Br2 Fe2 N P2 -","- C76 H86 Br4 Fe4 N2 P4 -","2","2","","Zirakzadeh, Afrooz; Kirchner, Karl; Roller, Alexander; Stöger, Berthold; Widhalm, Michael; Morris, Robert H.","Iron(II) Complexes Containing Chiral Unsymmetrical PNP′ Pincer Ligands: Synthesis and Application in Asymmetric Hydrogenations","Organometallics","2016","35","21","3781","","10.1021/acs.organomet.6b00711","","","0.71073","MoKα","","0.0383","0.028","","","0.0494","0.0519","","","","","","0.893","","","","has coordinates","237990","2020-10-21","18:00:00",""
"4089108","9.5793","0.0003","19.0106","0.0005","29.2941","0.0009","90","","90","","90","","5334.7","0.3","100","","100","","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C56 H75 Br2 Fe2 N O3 P2 -","- C56 H75 Br2 Fe2 N O3 P2 -","- C224 H300 Br8 Fe8 N4 O12 P8 -","4","1","","Zirakzadeh, Afrooz; Kirchner, Karl; Roller, Alexander; Stöger, Berthold; Widhalm, Michael; Morris, Robert H.","Iron(II) Complexes Containing Chiral Unsymmetrical PNP′ Pincer Ligands: Synthesis and Application in Asymmetric Hydrogenations","Organometallics","2016","35","21","3781","","10.1021/acs.organomet.6b00711","","","1.54178","CuKα","","0.0464","0.0435","","","0.1069","0.1088","","","","","","1.056","","","","has coordinates,has disorder","237990","2020-10-21","18:00:00",""
"4089109","7.3637","0.0005","7.9901","0.0004","11.2943","0.0006","93.039","0.004","101.379","0.005","95.607","0.005","646.56","0.07","150","","150","","","","","","","","","5","P -1","-P 1","2","","","","- C5 H6 Au Cl2 N11 -","- C5 H6 Au Cl2 N11 -","- C10 H12 Au2 Cl4 N22 -","2","1","","Schuh, Esther; Werner, Svenja; Otte, Daniela; Monkowius, Uwe; Mohr, Fabian","A Neutral, Carbene-Stabilized Gold(III) Triazide","Organometallics","2016","35","20","3448","","10.1021/acs.organomet.6b00714","","","0.7107","MoKα","","0.0399","0.0355","","","0.0804","0.0841","","","","","","1.026","","","","has coordinates","237992","2020-10-21","18:00:00",""
"4089110","8.0461","0.0006","6.7554","0.0006","23.9279","0.0016","90","","90","","90","","1300.59","0.17","150","","150","","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C7 H9 Au Cl2 N6 S -","- C7 H9 Au Cl2 N6 S -","- C28 H36 Au4 Cl8 N24 S4 -","4","0.5","","Schuh, Esther; Werner, Svenja; Otte, Daniela; Monkowius, Uwe; Mohr, Fabian","A Neutral, Carbene-Stabilized Gold(III) Triazide","Organometallics","2016","35","20","3448","","10.1021/acs.organomet.6b00714","","","0.71073","MoKα","","0.0433","0.0333","","","0.0683","0.0734","","","","","","1.085","","","","has coordinates,has disorder","237992","2020-10-21","18:00:00",""
"4089111","14.9527","0.0004","20.9673","0.0004","15.1609","0.0005","90","","115.285","0.003","90","","4297.8","0.2","150","2","150","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C43 H64 N2 O4 Zr -","- C43 H64 N2 O4 Zr -","- C172 H256 N8 O16 Zr4 -","4","1","","Kirk, Sarah M.; Kociok-Köhn, Gabriele; Jones, Matthew D.","Zirconium vs Aluminum Salalen Initiators for the Production of Biopolymers","Organometallics","2016","35","22","3837","","10.1021/acs.organomet.6b00718","","x-ray","0.71073","MoKα","","0.0695","0.0422","","","0.0873","0.0991","","","","","","1.038","","","","has coordinates,has disorder","237995","2020-10-21","18:00:00",""
"4089112","10.61","0.0003","13.4662","0.0003","27.2278","0.0007","101.501","0.002","90.51","0.002","107.84","0.002","3618.57","0.17","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C143 H216 N4 O16 Zr4 -","- C143 H216 N4 O16 Zr4 -","- C143 H216 N4 O16 Zr4 -","1","0.5","","Kirk, Sarah M.; Kociok-Köhn, Gabriele; Jones, Matthew D.","Zirconium vs Aluminum Salalen Initiators for the Production of Biopolymers","Organometallics","2016","35","22","3837","","10.1021/acs.organomet.6b00718","","","0.71073","MoKα","","0.0577","0.0417","","","0.0876","0.0962","","","","","","1.041","","","","has coordinates,has disorder","237995","2020-10-21","18:00:00",""
"4089113","9.3664","0.0001","29.9373","0.0002","13.1004","0.0001","90","","105.974","0.001","90","","3531.57","0.05","150","2","150","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C38 H53 Al N2 O2 -","- C38 H53 Al N2 O2 -","- C152 H212 Al4 N8 O8 -","4","1","","Kirk, Sarah M.; Kociok-Köhn, Gabriele; Jones, Matthew D.","Zirconium vs Aluminum Salalen Initiators for the Production of Biopolymers","Organometallics","2016","35","22","3837","","10.1021/acs.organomet.6b00718","","x-ray","1.54184","CuKα","","0.0353","0.0337","","","0.086","0.0872","","","","","","1.028","","","","has coordinates","237995","2020-10-21","18:00:00",""
"4089114","39.9899","0.0003","21.8307","0.0002","9.3498","0.0001","90","","90","","90","","8162.45","0.13","150","2","150","0.1","","","","","","","","5","F d d 2","F 2 -2d","43","","","","- C40 H58 Al2 N2 O2 -","- C40 H58 Al2 N2 O2 -","- C320 H464 Al16 N16 O16 -","8","0.5","","Kirk, Sarah M.; Kociok-Köhn, Gabriele; Jones, Matthew D.","Zirconium vs Aluminum Salalen Initiators for the Production of Biopolymers","Organometallics","2016","35","22","3837","","10.1021/acs.organomet.6b00718","","x-ray","1.54184","CuKα","","0.0242","0.0242","","","0.066","0.066","","","","","","1.102","","","","has coordinates","237995","2020-10-21","18:00:00",""
"4089115","15.0674","0.0003","15.3066","0.0003","16.2254","0.0004","89.944","0.002","65.437","0.002","87.572","0.002","3399.81","0.14","150","2","150.01","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C63 H109 Hf2 N2 O8 -","- C63 H109 Hf2 N2 O8 -","- C126 H218 Hf4 N4 O16 -","2","1","","Kirk, Sarah M.; Kociok-Köhn, Gabriele; Jones, Matthew D.","Zirconium vs Aluminum Salalen Initiators for the Production of Biopolymers","Organometallics","2016","35","22","3837","","10.1021/acs.organomet.6b00718","","x-ray","1.54184","CuKα","","0.0351","0.0291","","","0.0698","0.0741","","","","","","1.055","","","","has coordinates,has disorder","237995","2020-10-21","18:00:00",""
"4089116","14.665","0.004","22.49","0.003","15.545","0.003","90","","114.16","0.02","90","","4677.9","1.8","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C91 H140 Hf2 N4 O8 -","- C91 H140 Hf2 N4 O8 -","- C182 H280 Hf4 N8 O16 -","2","0.5","","Kirk, Sarah M.; Kociok-Köhn, Gabriele; Jones, Matthew D.","Zirconium vs Aluminum Salalen Initiators for the Production of Biopolymers","Organometallics","2016","35","22","3837","","10.1021/acs.organomet.6b00718","","x-ray","0.71073","MoKα","","0.1041","0.0625","","","0.1132","0.1269","","","","","","1.089","","","","has coordinates,has disorder","237995","2020-10-21","18:00:00",""
"4089117","10.2847","0.0003","20.8622","0.0004","22.4773","0.0005","91.1375","0.0017","90.0769","0.0019","103.654","0.0019","4685.5","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C50 H63 Cl2 N3 Pd -","- C50 H63 Cl2 N3 Pd -","- C200 H252 Cl8 N12 Pd4 -","4","2","","Lan, Xiao-Bing; Chen, Fu-Min; Ma, Bei-Bei; Shen, Dong-Sheng; Liu, Feng-Shou","Pd-PEPPSI Complexes Bearing Bulky [(1,2-Di-(tert-butyl)acenaphthyl] (DtBu-An) on N-Heterocarbene Backbones: Highly Efficient for Suzuki‒Miyaura Cross-Coupling under Aerobic Conditions","Organometallics","2016","35","22","3852","","10.1021/acs.organomet.6b00723","","","0.71073","MoKα","","0.1084","0.084","","","0.2353","0.2713","","","","","","1.039","","","","has coordinates","237996","2020-10-21","18:00:00",""
"4089118","10.5167","0.0003","22.5311","0.0005","20.9505","0.0005","90","","103.412","0.002","90","","4828.9","0.2","153","2","153","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C50 H62 Cl3 N3 Pd -","- C50 H62 Cl3 N3 Pd -","- C200 H248 Cl12 N12 Pd4 -","4","1","","Lan, Xiao-Bing; Chen, Fu-Min; Ma, Bei-Bei; Shen, Dong-Sheng; Liu, Feng-Shou","Pd-PEPPSI Complexes Bearing Bulky [(1,2-Di-(tert-butyl)acenaphthyl] (DtBu-An) on N-Heterocarbene Backbones: Highly Efficient for Suzuki‒Miyaura Cross-Coupling under Aerobic Conditions","Organometallics","2016","35","22","3852","","10.1021/acs.organomet.6b00723","","","1.54178","CuKα","","0.1145","0.1031","","","0.2658","0.2863","","","","","","1.114","","","","has coordinates","237996","2020-10-21","18:00:00",""
"4089119","9.8869","0.0008","10.4556","0.0009","18.6581","0.0016","91.497","0.003","92.835","0.003","90.706","0.003","1925.6","0.3","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C36 H26 Co4 O16 -","- C36 H26 Co4 O16 -","- C72 H52 Co8 O32 -","2","1","","Melikyan, Gagik G.; Davis, Ryan; Anker, Bryan; Meron, Deborah; Duncan, Kellyanne","Acquiring a Prognostic Power in Co2(CO)6-Mediated, Cobaltocene-Induced Radical Dimerizations of Propargyl Triflates","Organometallics","2016","35","24","4060","","10.1021/acs.organomet.6b00730","","","0.71073","MoKα","","0.048","0.0345","","","0.068","0.0731","","","","","","1.043","","","","has coordinates","237998","2020-10-21","18:00:00",""
"4089120","8.159","0.0005","13.4167","0.0007","10.9519","0.0006","90","","110.021","0.004","90","","1126.42","0.11","193","2","193","2","","","","","","","synthesis as described","6","P 1 21 1","P 2yb","4","","","","- C22 H34 B Cl N P -","- C22 H34 B Cl N P -","- C44 H68 B2 Cl2 N2 P2 -","2","1","","Devillard, Marc; Bouhadir, Ghenwa; Mallet-Ladeira, Sonia; Miqueu, Karinne; Bourissou, Didier","Amino and Alkyl B-Substituted P-Stabilized Borenium Salts","Organometallics","2016","35","21","3788","","10.1021/acs.organomet.6b00737","","x-ray","0.71073","MoKα","","0.0297","0.0255","","","0.0591","0.0611","","","","","","1.034","","","","has coordinates","237999","2020-10-21","18:00:00",""
"4089121","14.3961","0.0006","16.8578","0.0008","22.5345","0.001","90","","90","","90","","5468.8","0.4","193","2","193","2","","","","","","","synthesis as described","7","P b c a","-P 2ac 2ab","61","","","","- C22 H34 B Cl4 Ga N P -","- C22 H34 B Cl4 Ga N P -","- C176 H272 B8 Cl32 Ga8 N8 P8 -","8","1","","Devillard, Marc; Bouhadir, Ghenwa; Mallet-Ladeira, Sonia; Miqueu, Karinne; Bourissou, Didier","Amino and Alkyl B-Substituted P-Stabilized Borenium Salts","Organometallics","2016","35","21","3788","","10.1021/acs.organomet.6b00737","","x-ray","0.71073","MoKα","","0.0461","0.032","","","0.0917","0.1019","","","","","","1.048","","","","has coordinates","237999","2020-10-21","18:00:00",""
"4089122","8.3246","0.0005","10.9975","0.0006","14.0449","0.0009","88.883","0.002","81.291","0.003","78.296","0.002","1244.47","0.13","193","2","193","2","","","","","","","synthesis as described","7","P -1","-P 1","2","","","","- C22 H34 Au B Cl2 N P -","- C22 H34 Au B Cl2 N P -","- C44 H68 Au2 B2 Cl4 N2 P2 -","2","1","","Devillard, Marc; Bouhadir, Ghenwa; Mallet-Ladeira, Sonia; Miqueu, Karinne; Bourissou, Didier","Amino and Alkyl B-Substituted P-Stabilized Borenium Salts","Organometallics","2016","35","21","3788","","10.1021/acs.organomet.6b00737","","x-ray","0.71073","MoKα","","0.0215","0.019","","","0.0467","0.0474","","","","","","1.082","","","","has coordinates","237999","2020-10-21","18:00:00",""
"4089123","9.737","0.008","30.025","0.011","10.84","0.004","90","","102.39","0.02","90","","3095","3","173","2","173","2","","","","","","","synthesis as described","5","P 1 21/n 1","-P 2yn","14","","","","- C34 H43 B Br P -","- C34 H43 B Br P -","- C136 H172 B4 Br4 P4 -","4","1","","Devillard, Marc; Bouhadir, Ghenwa; Mallet-Ladeira, Sonia; Miqueu, Karinne; Bourissou, Didier","Amino and Alkyl B-Substituted P-Stabilized Borenium Salts","Organometallics","2016","35","21","3788","","10.1021/acs.organomet.6b00737","","x-ray","0.71073","MoKα","","0.063","0.0375","","","0.0776","0.0857","","","","","","1.028","","","","has coordinates,has disorder","237999","2020-10-21","18:00:00",""
"4089124","7.8267","0.0005","19.0575","0.0013","17.7639","0.0014","90","","96.243","0.003","90","","2633.9","0.3","193","2","193","2","","","","","","","synthesis as described","6","P 1 21/c 1","-P 2ybc","14","","","","- C22 H31 B Br4 Ga P -","- C22 H31 B Br4 Ga P -","- C88 H124 B4 Br16 Ga4 P4 -","4","1","","Devillard, Marc; Bouhadir, Ghenwa; Mallet-Ladeira, Sonia; Miqueu, Karinne; Bourissou, Didier","Amino and Alkyl B-Substituted P-Stabilized Borenium Salts","Organometallics","2016","35","21","3788","","10.1021/acs.organomet.6b00737","","x-ray","0.71073","MoKα","","0.0594","0.0405","","","0.1042","0.1138","","","","","","1.03","","","","has coordinates","237999","2020-10-21","18:00:00",""
"4089125","7.3713","0.0009","14.0596","0.0017","17.685","0.002","90","","90","","90","","1832.8","0.4","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C20 H27 N O W -","- C20 H27 N O W -","- C80 H108 N4 O4 W4 -","4","1","","Wakeham, Russell J.; Baillie, Rhett A.; Patrick, Brian O.; Legzdins, Peter; Rosenfeld, Devon C.","Selective Functionalization of a Variety of Hydrocarbon C(sp3)‒H Bonds Initiated by Cp*W(NO)(CH2CMe3)(η3-CH2CHCHPh)","Organometallics","2016","36","1","39","","10.1021/acs.organomet.6b00739","","x-ray","0.71073","MoKα","","0.0184","0.0173","","","0.0386","0.0389","","","","","","1.062","","","","has coordinates","238001","2020-10-21","18:00:00",""
"4089126","18.35","0.003","7.8546","0.0013","14.176","0.002","90","","111.014","0.007","90","","1907.3","0.5","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C21 H29 N O W -","- C21 H29 N O W -","- C84 H116 N4 O4 W4 -","4","1","","Wakeham, Russell J.; Baillie, Rhett A.; Patrick, Brian O.; Legzdins, Peter; Rosenfeld, Devon C.","Selective Functionalization of a Variety of Hydrocarbon C(sp3)‒H Bonds Initiated by Cp*W(NO)(CH2CMe3)(η3-CH2CHCHPh)","Organometallics","2016","36","1","39","","10.1021/acs.organomet.6b00739","","x-ray","0.71073","MoKα","","0.0638","0.061","","","0.1682","0.1709","","","","","","1.058","","","","has coordinates","238001","2020-10-21","18:00:00",""
"4089127","30.0228","0.0017","8.4024","0.0005","16.0128","0.0009","90","","99.646","0.002","90","","3982.3","0.4","90","2","90","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C22 H31 N O W -","- C22 H31 N O W -","- C176 H248 N8 O8 W8 -","8","1","","Wakeham, Russell J.; Baillie, Rhett A.; Patrick, Brian O.; Legzdins, Peter; Rosenfeld, Devon C.","Selective Functionalization of a Variety of Hydrocarbon C(sp3)‒H Bonds Initiated by Cp*W(NO)(CH2CMe3)(η3-CH2CHCHPh)","Organometallics","2016","36","1","39","","10.1021/acs.organomet.6b00739","","x-ray","0.71069","MoKα","","0.0299","0.0287","","","0.0688","0.0692","","","","","","1.242","","","","has coordinates","238001","2020-10-21","18:00:00",""
"4089128","16.592","0.004","8.434","0.002","16.332","0.004","90","","114.315","0.004","90","","2082.7","0.9","90","2","90.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C23 H33 N O W -","- C23 H33 N O W -","- C92 H132 N4 O4 W4 -","4","1","","Wakeham, Russell J.; Baillie, Rhett A.; Patrick, Brian O.; Legzdins, Peter; Rosenfeld, Devon C.","Selective Functionalization of a Variety of Hydrocarbon C(sp3)‒H Bonds Initiated by Cp*W(NO)(CH2CMe3)(η3-CH2CHCHPh)","Organometallics","2016","36","1","39","","10.1021/acs.organomet.6b00739","","x-ray","0.71073","MoKα","","0.0504","0.0385","","","0.0816","0.0857","","","","","","1.127","","","","has coordinates","238001","2020-10-21","18:00:00",""
"4089129","14.988","0.003","15.104","0.003","18.11","0.004","90","","90","","90","","4099.7","1.5","90","2","90","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C22 H30 Cl N O W -","- C22 H30 Cl N O W -","- C176 H240 Cl8 N8 O8 W8 -","8","2","","Wakeham, Russell J.; Baillie, Rhett A.; Patrick, Brian O.; Legzdins, Peter; Rosenfeld, Devon C.","Selective Functionalization of a Variety of Hydrocarbon C(sp3)‒H Bonds Initiated by Cp*W(NO)(CH2CMe3)(η3-CH2CHCHPh)","Organometallics","2016","36","1","39","","10.1021/acs.organomet.6b00739","","","0.71073","MoKα","","0.0399","0.0313","","","0.0628","0.0665","","","","","","1.092","","","","has coordinates","238001","2020-10-21","18:00:00",""
"4089130","7.5576","0.0004","16.6345","0.0009","32.2137","0.0017","90","","90","","90","","4049.8","0.4","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C22 H29 N O2 W -","- C22 H29 N O2 W -","- C176 H232 N8 O16 W8 -","8","1","","Wakeham, Russell J.; Baillie, Rhett A.; Patrick, Brian O.; Legzdins, Peter; Rosenfeld, Devon C.","Selective Functionalization of a Variety of Hydrocarbon C(sp3)‒H Bonds Initiated by Cp*W(NO)(CH2CMe3)(η3-CH2CHCHPh)","Organometallics","2016","36","1","39","","10.1021/acs.organomet.6b00739","","x-ray","0.71073","MoKα","","0.0482","0.0391","","","0.0679","0.0703","","","","","","1.197","","","","has coordinates","238001","2020-10-21","18:00:00",""
"4089131","9.4996","0.0019","17.176","0.003","21.292","0.004","90","","90","","90","","3474.1","1.1","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C24 H58 O Pt Si7 -","- C24 H58 O Pt Si7 -","- C96 H232 O4 Pt4 Si28 -","4","1","","Iimura, Tomohiro; Akasaka, Naohiko; Iwamoto, Takeaki","A Dialkylsilylene-Pt(0) Complex with a DVTMS Ligand for the Catalytic Hydrosilylation of Functional Olefins","Organometallics","2016","35","24","4071","","10.1021/acs.organomet.6b00741","","","0.71073","MoKα","","0.0238","0.0196","","","0.0394","0.0403","","","","","","0.837","","","","has coordinates","238003","2020-10-21","18:00:00",""
"4089132","14.6146","0.0004","12.1078","0.0003","21.7567","0.0006","90","","109.452","0.001","90","","3630.12","0.17","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C13 H26 N2 O Pt Si2 -","- C13 H26 N2 O Pt Si2 -","- C104 H208 N16 O8 Pt8 Si16 -","8","2","","Iimura, Tomohiro; Akasaka, Naohiko; Iwamoto, Takeaki","A Dialkylsilylene-Pt(0) Complex with a DVTMS Ligand for the Catalytic Hydrosilylation of Functional Olefins","Organometallics","2016","35","24","4071","","10.1021/acs.organomet.6b00741","","","0.71073","MoKα","","0.0238","0.017","","","0.0395","0.0459","","","","","","1.088","","","","has coordinates","238003","2020-10-21","18:00:00",""
"4089133","12.396","0.002","12.963","0.002","15.408","0.004","80.38","0.06","79.19","0.07","61.456","0.011","2127.7","0.9","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C40.5 H42 Cu3 Mo3 N3 O9 -","- C40.5 H42 Cu3 Mo3 N3 O9 -","- C81 H84 Cu6 Mo6 N6 O18 -","2","1","","Croizat, Pierre; Sculfort, Sabrina; Welter, Richard; Braunstein, Pierre","Hexa- and Octanuclear Heterometallic Clusters with Copper‒, Silver‒, or Gold‒Molybdenum Bonds and d10‒d10Interactions","Organometallics","2016","35","23","3949","","10.1021/acs.organomet.6b00745","","","0.71073","MoKα","","0.0867","0.0472","","","0.0919","0.1041","","","","","","1.029","","","","has coordinates","238005","2020-10-21","18:00:00",""
"4089134","12.014","0.0003","22.477","0.0007","17.002","0.0005","90","","97.068","0.0016","90","","4556.3","0.2","173","2","173","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C40 H40 Ag4 Mo4 N4 O12 -","- C40 H40 Ag4 Mo4 N4 O12 -","- C160 H160 Ag16 Mo16 N16 O48 -","4","0.5","","Croizat, Pierre; Sculfort, Sabrina; Welter, Richard; Braunstein, Pierre","Hexa- and Octanuclear Heterometallic Clusters with Copper‒, Silver‒, or Gold‒Molybdenum Bonds and d10‒d10Interactions","Organometallics","2016","35","23","3949","","10.1021/acs.organomet.6b00745","","","0.71073","MoKα","","0.1151","0.0611","","","0.1046","0.1206","","","","","","1.022","","","","has coordinates","238005","2020-10-21","18:00:00",""
"4089135","11.941","0.002","22.609","0.005","16.995","0.004","90","","97.402","0.01","90","","4550","1.7","173","2","173","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C40 H40 Au4 Mo4 N4 O12 -","- C40 H40 Au4 Mo4 N4 O12 -","- C160 H160 Au16 Mo16 N16 O48 -","4","0.5","","Croizat, Pierre; Sculfort, Sabrina; Welter, Richard; Braunstein, Pierre","Hexa- and Octanuclear Heterometallic Clusters with Copper‒, Silver‒, or Gold‒Molybdenum Bonds and d10‒d10Interactions","Organometallics","2016","35","23","3949","","10.1021/acs.organomet.6b00745","","","0.71073","MoKα","","0.0786","0.0396","","","0.0729","0.0843","","","","","","1.002","","","","has coordinates","238005","2020-10-21","18:00:00",""
"4089136","14.6811","0.0013","13.3276","0.0012","20.0712","0.0018","90","","99.3409","0.0012","90","","3875.1","0.6","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C47 H52 P2 Ru -","- C47 H52 P2 Ru -","- C188 H208 P8 Ru4 -","4","1","","Burton, Krista M. E.; Pantazis, Dimitrios A.; Belli, Roman G.; McDonald, Robert; Rosenberg, Lisa","Alkene Insertions into a Ru‒PR2 Bond","Organometallics","2016","35","23","3970","","10.1021/acs.organomet.6b00757","","","0.71073","MoKα","","0.0234","0.0207","","","0.0525","0.0546","","","","","","1.04","","","","has coordinates","238006","2020-10-21","18:00:00",""
"4089137","10.0216","0.0003","10.7311","0.0003","18.3305","0.0006","87.0292","0.0004","79.2366","0.0004","80.7422","0.0003","1910.92","0.1","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C45.5 H54 P2 Ru -","- C45.5 H54 P2 Ru -","- C91 H108 P4 Ru2 -","2","1","","Burton, Krista M. E.; Pantazis, Dimitrios A.; Belli, Roman G.; McDonald, Robert; Rosenberg, Lisa","Alkene Insertions into a Ru‒PR2 Bond","Organometallics","2016","35","23","3970","","10.1021/acs.organomet.6b00757","","","0.71073","MoKα","","0.0289","0.0272","","","0.0736","0.0749","","","","","","1.058","","","","has coordinates,has disorder","238006","2020-10-21","18:00:00",""
"4089138","11.5629","0.0012","13.7995","0.0015","16.2002","0.0017","90","","106.662","0.001","90","","2476.4","0.5","110","2","110","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H40 B Ir P2 -","- C24 H40 B Ir P2 -","- C96 H160 B4 Ir4 P8 -","4","1","","Shih, Wei-Chun; Ozerov, Oleg V.","Synthesis and Characterization of PBP Pincer Iridium Complexes and Their Application in Alkane Transfer Dehydrogenation","Organometallics","2016","36","1","228","","10.1021/acs.organomet.6b00762","","","0.71073","MoKα","","0.0334","0.0249","","","0.0541","0.0577","","","","","","1.041","","","","has coordinates","238007","2020-10-21","18:00:00",""
"4089139","11.512","0.007","15.357","0.01","15.506","0.01","90","","105.593","0.007","90","","2640","3","150.15","","150.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C26 H36 B Ir O2 P2 -","- C26 H36 B Ir O2 P2 -","- C104 H144 B4 Ir4 O8 P8 -","4","1","","Shih, Wei-Chun; Ozerov, Oleg V.","Synthesis and Characterization of PBP Pincer Iridium Complexes and Their Application in Alkane Transfer Dehydrogenation","Organometallics","2016","36","1","228","","10.1021/acs.organomet.6b00762","","","0.71073","MoKα","","0.0354","0.0283","","","0.0675","0.0707","","","","","","1.052","","","","has coordinates","238007","2020-10-21","18:00:00",""
"4089140","10.1656","0.0013","11.4001","0.0014","13.923","0.0017","90","","90.604","0.002","90","","1613.4","0.3","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H12 Cl F3 Ge -","- C18 H12 Cl F3 Ge -","- C72 H48 Cl4 F12 Ge4 -","4","1","","Zaitsev, Kirill V.; Lam, Kevin; Zhanabil, Zhaisan; Suleimen, Yerlan; Kharcheva, Anastasia V.; Tafeenko, Viktor A.; Oprunenko, Yuri F.; Poleshchuk, Oleg Kh.; Lermontova, Elmira Kh.; Churakov, Andrei V.","Oligogermanes Containing Only Electron-Withdrawing Substituents: Synthesis and Properties","Organometallics","2016","36","2","298","","10.1021/acs.organomet.6b00767","","","0.71073","MoKα","","0.0341","0.0264","","","0.0623","0.0654","","","","","","1.022","","","","has coordinates","238009","2020-10-21","18:00:00",""
"4089141","10.4984","0.0005","11.4856","0.0006","14.0151","0.0006","90","","91.27","0.01","90","","1689.53","0.14","295","2","295","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H12 Br F3 Ge -","- C18 H12 Br F3 Ge -","- C72 H48 Br4 F12 Ge4 -","4","1","","Zaitsev, Kirill V.; Lam, Kevin; Zhanabil, Zhaisan; Suleimen, Yerlan; Kharcheva, Anastasia V.; Tafeenko, Viktor A.; Oprunenko, Yuri F.; Poleshchuk, Oleg Kh.; Lermontova, Elmira Kh.; Churakov, Andrei V.","Oligogermanes Containing Only Electron-Withdrawing Substituents: Synthesis and Properties","Organometallics","2016","36","2","298","","10.1021/acs.organomet.6b00767","","","1.54186","CuKα","","0.062","0.0522","","","0.1429","0.1533","","","","","","1.014","","","","has coordinates","238009","2020-10-21","18:00:00",""
"4089142","10.946","0.003","20.8","0.006","10.113","0.003","90","","108.256","0.004","90","","2186.6","1.1","150","2","150","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C21 H12 Br F9 Ge -","- C21 H12 Br F9 Ge -","- C84 H48 Br4 F36 Ge4 -","4","1","","Zaitsev, Kirill V.; Lam, Kevin; Zhanabil, Zhaisan; Suleimen, Yerlan; Kharcheva, Anastasia V.; Tafeenko, Viktor A.; Oprunenko, Yuri F.; Poleshchuk, Oleg Kh.; Lermontova, Elmira Kh.; Churakov, Andrei V.","Oligogermanes Containing Only Electron-Withdrawing Substituents: Synthesis and Properties","Organometallics","2016","36","2","298","","10.1021/acs.organomet.6b00767","","","0.71073","MoKα","","0.0415","0.0361","","","0.0889","0.0919","","","","","","1.037","","","","has coordinates,has disorder","238009","2020-10-21","18:00:00",""
"4089143","10.0648","0.0009","10.5733","0.001","19.2802","0.0018","90","","90.063","0.001","90","","2051.8","0.3","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C21 H13 F9 Ge -","- C21 H13 F9 Ge -","- C84 H52 F36 Ge4 -","4","1","","Zaitsev, Kirill V.; Lam, Kevin; Zhanabil, Zhaisan; Suleimen, Yerlan; Kharcheva, Anastasia V.; Tafeenko, Viktor A.; Oprunenko, Yuri F.; Poleshchuk, Oleg Kh.; Lermontova, Elmira Kh.; Churakov, Andrei V.","Oligogermanes Containing Only Electron-Withdrawing Substituents: Synthesis and Properties","Organometallics","2016","36","2","298","","10.1021/acs.organomet.6b00767","","","0.71073","MoKα","","0.0887","0.0821","","","0.2467","0.2575","","","","","","1.144","","","","has coordinates,has disorder","238009","2020-10-21","18:00:00",""
"4089144","8.535","0.0015","18.144","0.003","10.362","0.0018","90","","108.005","0.003","90","","1526.1","0.5","180","2","180","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C36 H24 F6 Ge2 -","- C36 H24 F6 Ge2 -","- C72 H48 F12 Ge4 -","2","0.5","","Zaitsev, Kirill V.; Lam, Kevin; Zhanabil, Zhaisan; Suleimen, Yerlan; Kharcheva, Anastasia V.; Tafeenko, Viktor A.; Oprunenko, Yuri F.; Poleshchuk, Oleg Kh.; Lermontova, Elmira Kh.; Churakov, Andrei V.","Oligogermanes Containing Only Electron-Withdrawing Substituents: Synthesis and Properties","Organometallics","2016","36","2","298","","10.1021/acs.organomet.6b00767","","","0.71073","MoKα","","0.0558","0.0447","","","0.1154","0.1219","","","","","","1.03","","","","has coordinates,has disorder","238009","2020-10-21","18:00:00",""
"4089145","11.9587","0.0004","8.9279","0.0004","20.0237","0.0013","90","","91.845","0.005","90","","2136.74","0.18","295","2","295","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C42 H24 F18 Ge2 -","- C42 H24 F18 Ge2 -","- C84 H48 F36 Ge4 -","2","0.5","","Zaitsev, Kirill V.; Lam, Kevin; Zhanabil, Zhaisan; Suleimen, Yerlan; Kharcheva, Anastasia V.; Tafeenko, Viktor A.; Oprunenko, Yuri F.; Poleshchuk, Oleg Kh.; Lermontova, Elmira Kh.; Churakov, Andrei V.","Oligogermanes Containing Only Electron-Withdrawing Substituents: Synthesis and Properties","Organometallics","2016","36","2","298","","10.1021/acs.organomet.6b00767","","","0.71073","MoKα","","0.1046","0.0665","","","0.1683","0.1897","","","","","","0.941","","","","has coordinates","238009","2020-10-21","18:00:00",""
"4089146","14.6304","0.0003","23.6872","0.0004","16.11","0.0004","90","","96.599","0.002","90","","5546","0.2","295","2","295","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C54 H24 F28 Ge3 -","- C54 H24 F28 Ge3 -","- C216 H96 F112 Ge12 -","4","0.5","","Zaitsev, Kirill V.; Lam, Kevin; Zhanabil, Zhaisan; Suleimen, Yerlan; Kharcheva, Anastasia V.; Tafeenko, Viktor A.; Oprunenko, Yuri F.; Poleshchuk, Oleg Kh.; Lermontova, Elmira Kh.; Churakov, Andrei V.","Oligogermanes Containing Only Electron-Withdrawing Substituents: Synthesis and Properties","Organometallics","2016","36","2","298","","10.1021/acs.organomet.6b00767","","","1.54186","CuKα","","0.1059","0.0711","","","0.1801","0.1935","","","","","","0.829","","","","has coordinates,has disorder","238009","2020-10-21","18:00:00",""
"4089147","18.6401","0.0006","17.0928","0.0005","26.7711","0.0008","90","","90","","90","","8529.6","0.5","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","Ru-4c","","- C45 H53 N3 O3 Ru S3 -","- C45 H53 N3 O3 Ru S3 -","- C360 H424 N24 O24 Ru8 S24 -","8","1","","Mikus, Malte S.; Torker, Sebastian; Xu, Chaofan; Li, Bo; Hoveyda, Amir H.","Pentacoordinate Ruthenium(II) Catecholthiolate and Mercaptophenolate Catalysts for Olefin Metathesis: Anionic Ligand Exchange and Ease of Initiation","Organometallics","2016","35","22","3878","","10.1021/acs.organomet.6b00773","","","1.54178","CuKα","","0.0318","0.0271","","","0.0686","0.0722","","","","","","1.037","","","","has coordinates","238010","2020-10-21","18:00:00",""
"4089148","13.0233","0.0015","16.3706","0.0019","18.637","0.002","90","","94.986","0.003","90","","3958.4","0.8","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","Ru-4e","","- C41 H50 Cl2 N2 O2 Ru S2 -","- C41 H50 Cl2 N2 O2 Ru S2 -","- C164 H200 Cl8 N8 O8 Ru4 S8 -","4","1","","Mikus, Malte S.; Torker, Sebastian; Xu, Chaofan; Li, Bo; Hoveyda, Amir H.","Pentacoordinate Ruthenium(II) Catecholthiolate and Mercaptophenolate Catalysts for Olefin Metathesis: Anionic Ligand Exchange and Ease of Initiation","Organometallics","2016","35","22","3878","","10.1021/acs.organomet.6b00773","","","0.71073","MoKα","","0.0342","0.0272","","","0.0646","0.0684","","","","","","1.047","","","","has coordinates,has disorder","238010","2020-10-21","18:00:00",""
"4089149","8.6971","0.001","19.162","0.002","22.928","0.003","90","","100.224","0.004","90","","3760.4","0.8","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Ru-4g","","- C40 H43 Cl2 N3 Ru S2 -","- C40 H43 Cl2 N3 Ru S2 -","- C160 H172 Cl8 N12 Ru4 S8 -","4","1","","Mikus, Malte S.; Torker, Sebastian; Xu, Chaofan; Li, Bo; Hoveyda, Amir H.","Pentacoordinate Ruthenium(II) Catecholthiolate and Mercaptophenolate Catalysts for Olefin Metathesis: Anionic Ligand Exchange and Ease of Initiation","Organometallics","2016","35","22","3878","","10.1021/acs.organomet.6b00773","","","1.54178","CuKα","","0.0303","0.0302","","","0.0783","0.0783","","","","","","1.078","","","","has coordinates,has disorder","238010","2020-10-21","18:00:00",""
"4089150","8.3833","0.0003","11.7203","0.0005","18.6217","0.0007","97.169","0.002","93.071","0.002","107.313","0.002","1725.15","0.12","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","Ru-4h","","- C36 H41 Cl2 N3 Ru S2 -","- C36 H41 Cl2 N3 Ru S2 -","- C72 H82 Cl4 N6 Ru2 S4 -","2","1","","Mikus, Malte S.; Torker, Sebastian; Xu, Chaofan; Li, Bo; Hoveyda, Amir H.","Pentacoordinate Ruthenium(II) Catecholthiolate and Mercaptophenolate Catalysts for Olefin Metathesis: Anionic Ligand Exchange and Ease of Initiation","Organometallics","2016","35","22","3878","","10.1021/acs.organomet.6b00773","","","1.54178","CuKα","","0.0598","0.0535","","","0.1421","0.147","","","","","","1.02","","","","has coordinates","238010","2020-10-21","18:00:00",""
"4089151","19.7231","0.0007","16.3731","0.0006","26.6239","0.0009","90","","90","","90","","8597.6","0.5","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","Ru-4i","","- C40 H43 Cl6 N3 Ru S2 -","- C40 H43 Cl6 N3 Ru S2 -","- C320 H344 Cl48 N24 Ru8 S16 -","8","1","","Mikus, Malte S.; Torker, Sebastian; Xu, Chaofan; Li, Bo; Hoveyda, Amir H.","Pentacoordinate Ruthenium(II) Catecholthiolate and Mercaptophenolate Catalysts for Olefin Metathesis: Anionic Ligand Exchange and Ease of Initiation","Organometallics","2016","35","22","3878","","10.1021/acs.organomet.6b00773","","","1.54178","CuKα","","0.0546","0.0545","","","0.148","0.1481","","","","","","1.053","","","","has coordinates,has disorder","238010","2020-10-21","18:00:00",""
"4089152","12.3815","0.0006","21.8053","0.0011","16.5924","0.0009","90","","97.319","0.003","90","","4443.2","0.4","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","Ru-4j","","- C45 H65 N2 O5 P Ru S2 -","- C45 H65 N2 O5 P Ru S2 -","- C180 H260 N8 O20 P4 Ru4 S8 -","4","1","","Mikus, Malte S.; Torker, Sebastian; Xu, Chaofan; Li, Bo; Hoveyda, Amir H.","Pentacoordinate Ruthenium(II) Catecholthiolate and Mercaptophenolate Catalysts for Olefin Metathesis: Anionic Ligand Exchange and Ease of Initiation","Organometallics","2016","35","22","3878","","10.1021/acs.organomet.6b00773","","","1.54178","CuKα","","0.0326","0.0285","","","0.0736","0.0761","","","","","","1.03","","","","has coordinates","238010","2020-10-21","18:00:00",""
"4089153","11.0888","0.0005","11.5129","0.0005","19.4587","0.0008","85.206","0.001","83.385","0.001","81.809","0.001","2436.76","0.18","173","2","173","2","","","","","","","","8","P -1","-P 1","2","","Ru-4k","","- C43 H63 N2 O3 P Ru S2 Si3 -","- C43 H63 N2 O3 P Ru S2 Si3 -","- C86 H126 N4 O6 P2 Ru2 S4 Si6 -","2","1","","Mikus, Malte S.; Torker, Sebastian; Xu, Chaofan; Li, Bo; Hoveyda, Amir H.","Pentacoordinate Ruthenium(II) Catecholthiolate and Mercaptophenolate Catalysts for Olefin Metathesis: Anionic Ligand Exchange and Ease of Initiation","Organometallics","2016","35","22","3878","","10.1021/acs.organomet.6b00773","","","1.54178","CuKα","","0.0268","0.0266","","","0.0662","0.0665","","","","","","1.044","","","","has coordinates,has disorder","238010","2020-10-21","18:00:00",""
"4089154","11.7665","0.0008","19.2833","0.0012","16.3423","0.001","90","","106.755","0.002","90","","3550.6","0.4","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","Ru-4l","","- C37 H40 Cl2 N2 O2 Ru S2 -","- C37 H40 Cl2 N2 O2 Ru S2 -","- C148 H160 Cl8 N8 O8 Ru4 S8 -","4","1","","Mikus, Malte S.; Torker, Sebastian; Xu, Chaofan; Li, Bo; Hoveyda, Amir H.","Pentacoordinate Ruthenium(II) Catecholthiolate and Mercaptophenolate Catalysts for Olefin Metathesis: Anionic Ligand Exchange and Ease of Initiation","Organometallics","2016","35","22","3878","","10.1021/acs.organomet.6b00773","","","1.54178","CuKα","","0.0334","0.0328","","","0.0928","0.0935","","","","","","1.04","","","","has coordinates","238010","2020-10-21","18:00:00",""
"4089155","12.3881","0.0007","19.3113","0.0012","14.3511","0.0008","90","","105.997","0.003","90","","3300.3","0.3","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Ru-4m","","- C36 H37 N3 O4 Ru S2 -","- C36 H37 N3 O4 Ru S2 -","- C144 H148 N12 O16 Ru4 S8 -","4","1","","Mikus, Malte S.; Torker, Sebastian; Xu, Chaofan; Li, Bo; Hoveyda, Amir H.","Pentacoordinate Ruthenium(II) Catecholthiolate and Mercaptophenolate Catalysts for Olefin Metathesis: Anionic Ligand Exchange and Ease of Initiation","Organometallics","2016","35","22","3878","","10.1021/acs.organomet.6b00773","","","0.71073","MoKα","","0.0318","0.0245","","","0.06","0.0641","","","","","","1.04","","","","has coordinates","238010","2020-10-21","18:00:00",""
"4089156","8.4562","0.0003","12.3417","0.0004","17.4107","0.0006","88.469","0.001","86.779","0.001","73.987","0.001","1743.67","0.1","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","Ru-4n","","- C37 H40 Cl2 N2 Ru S2 -","- C37 H40 Cl2 N2 Ru S2 -","- C74 H80 Cl4 N4 Ru2 S4 -","2","1","","Mikus, Malte S.; Torker, Sebastian; Xu, Chaofan; Li, Bo; Hoveyda, Amir H.","Pentacoordinate Ruthenium(II) Catecholthiolate and Mercaptophenolate Catalysts for Olefin Metathesis: Anionic Ligand Exchange and Ease of Initiation","Organometallics","2016","35","22","3878","","10.1021/acs.organomet.6b00773","","","1.54178","CuKα","","0.0384","0.0377","","","0.1048","0.1056","","","","","","1.085","","","","has coordinates","238010","2020-10-21","18:00:00",""
"4089157","30.1503","0.0015","8.3417","0.0004","30.1709","0.0014","90","","117.872","0.002","90","","6707.9","0.6","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Ru-4o","","- C37 H42 N2 Ru S3 -","- C37 H42 N2 Ru S3 -","- C296 H336 N16 Ru8 S24 -","8","2","","Mikus, Malte S.; Torker, Sebastian; Xu, Chaofan; Li, Bo; Hoveyda, Amir H.","Pentacoordinate Ruthenium(II) Catecholthiolate and Mercaptophenolate Catalysts for Olefin Metathesis: Anionic Ligand Exchange and Ease of Initiation","Organometallics","2016","35","22","3878","","10.1021/acs.organomet.6b00773","","","1.54178","CuKα","","0.0679","0.0637","","","0.1754","0.1826","","","","","","1.024","","","","has coordinates","238010","2020-10-21","18:00:00",""
"4089158","19.5484","0.0007","19.6029","0.0009","16.5867","0.0009","90","","90","","90","","6356.1","0.5","100","2","100","2","","","","","","","","6","P 21 21 2","P 2 2ab","18","","Ru-4q","","- C34 H35 I N2 Ru S2 -","- C34 H35 I N2 Ru S2 -","- C272 H280 I8 N16 Ru8 S16 -","8","2","","Mikus, Malte S.; Torker, Sebastian; Xu, Chaofan; Li, Bo; Hoveyda, Amir H.","Pentacoordinate Ruthenium(II) Catecholthiolate and Mercaptophenolate Catalysts for Olefin Metathesis: Anionic Ligand Exchange and Ease of Initiation","Organometallics","2016","35","22","3878","","10.1021/acs.organomet.6b00773","","","0.71073","MoKα","","0.0649","0.0526","","","0.1268","0.1344","","","","","","1.038","","","","has coordinates","238010","2020-10-21","18:00:00",""
"4089159","17.8536","0.0006","21.0427","0.0006","21.5515","0.0007","90","","90","","90","","8096.6","0.4","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","Ru-4r","","- C44 H47 Cl2 N3 Ru S2 -","- C44 H47 Cl2 N3 Ru S2 -","- C352 H376 Cl16 N24 Ru8 S16 -","8","1","","Mikus, Malte S.; Torker, Sebastian; Xu, Chaofan; Li, Bo; Hoveyda, Amir H.","Pentacoordinate Ruthenium(II) Catecholthiolate and Mercaptophenolate Catalysts for Olefin Metathesis: Anionic Ligand Exchange and Ease of Initiation","Organometallics","2016","35","22","3878","","10.1021/acs.organomet.6b00773","","","1.54178","CuKα","","0.1043","0.0613","","","0.1489","0.1721","","","","","","1.007","","","","has coordinates","238010","2020-10-21","18:00:00",""
"4089160","15.9894","0.0006","11.9939","0.0004","17.7371","0.0006","90","","90","","90","","3401.5","0.2","100","2","100","2","","","","","","","","6","P n a 21","P 2c -2n","33","","Ru-6b","","- C38 H44 N2 O3 Ru S -","- C38 H44 N2 O3 Ru S -","- C152 H176 N8 O12 Ru4 S4 -","4","1","","Mikus, Malte S.; Torker, Sebastian; Xu, Chaofan; Li, Bo; Hoveyda, Amir H.","Pentacoordinate Ruthenium(II) Catecholthiolate and Mercaptophenolate Catalysts for Olefin Metathesis: Anionic Ligand Exchange and Ease of Initiation","Organometallics","2016","35","22","3878","","10.1021/acs.organomet.6b00773","","","1.54178","CuKα","","0.0197","0.0194","","","0.0498","0.05","","","","","","1.047","","","","has coordinates","238010","2020-10-21","18:00:00",""
"4089161","25.2661","0.0009","11.9359","0.0005","25.992","0.001","90","","100.357","0.001","90","","7710.8","0.5","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Ru-6d","","- C43 H54 N2 O2 Ru S -","- C43 H54 N2 O2 Ru S -","- C344 H432 N16 O16 Ru8 S8 -","8","2","","Mikus, Malte S.; Torker, Sebastian; Xu, Chaofan; Li, Bo; Hoveyda, Amir H.","Pentacoordinate Ruthenium(II) Catecholthiolate and Mercaptophenolate Catalysts for Olefin Metathesis: Anionic Ligand Exchange and Ease of Initiation","Organometallics","2016","35","22","3878","","10.1021/acs.organomet.6b00773","","","1.54178","CuKα","","0.023","0.0223","","","0.0556","0.0561","","","","","","1.046","","","","has coordinates","238010","2020-10-21","18:00:00",""
"4089162","12.5812","0.0017","17.758","0.002","18.076","0.002","90","","92.104","0.002","90","","4035.8","0.8","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","Ru-6e","","- C43 H57 N2 O4 P Ru S -","- C43 H57 N2 O4 P Ru S -","- C172 H228 N8 O16 P4 Ru4 S4 -","4","1","","Mikus, Malte S.; Torker, Sebastian; Xu, Chaofan; Li, Bo; Hoveyda, Amir H.","Pentacoordinate Ruthenium(II) Catecholthiolate and Mercaptophenolate Catalysts for Olefin Metathesis: Anionic Ligand Exchange and Ease of Initiation","Organometallics","2016","35","22","3878","","10.1021/acs.organomet.6b00773","","","0.71073","MoKα","","0.0638","0.0372","","","0.0781","0.0876","","","","","","1.009","","","","has coordinates","238010","2020-10-21","18:00:00",""
"4089163","11.8972","0.0008","13.1287","0.0008","16.597","0.0016","102.145","0.001","94.266","0.001","114.786","0.001","2261.9","0.3","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C41.5 H49 Br Cl7 N4 O Os P -","- C41.5 H49 Br Cl7 N4 O Os P -","- C83 H98 Br2 Cl14 N8 O2 Os2 P2 -","2","1","","Alabau, Roberto G.; Esteruelas, Miguel A.; Oliván, Montserrat; Oñate, Enrique; Palacios, Adrián U.; Tsai, Jui-Yi; Xia, Chuanjun","Osmium(II) Complexes Containing a Dianionic CCCC-Donor Tetradentate Ligand","Organometallics","2016","35","23","3981","","10.1021/acs.organomet.6b00776","","","0.71073","MoKα","","0.0416","0.0337","","","0.0839","0.0882","","","","","","0.88","","","","has coordinates,has disorder","238011","2020-10-21","18:00:00",""
"4089164","13.485","0.002","15.011","0.003","16.212","0.003","90","","100.785","0.002","90","","3223.7","1","130","2","130","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C38 H41 N4 O Os P -","- C38 H41 N4 O Os P -","- C152 H164 N16 O4 Os4 P4 -","4","1","","Alabau, Roberto G.; Esteruelas, Miguel A.; Oliván, Montserrat; Oñate, Enrique; Palacios, Adrián U.; Tsai, Jui-Yi; Xia, Chuanjun","Osmium(II) Complexes Containing a Dianionic CCCC-Donor Tetradentate Ligand","Organometallics","2016","35","23","3981","","10.1021/acs.organomet.6b00776","","","0.71073","MoKα","","0.0817","0.0509","","","0.1144","0.1259","","","","","","1.033","","","","has coordinates","238011","2020-10-21","18:00:00",""
"4089165","12.324","0.006","19.843","0.01","19.987","0.01","81.267","0.007","75.348","0.006","88.797","0.007","4673","4","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C54.88 H43.75 Cl1.75 N4 Os P2 -","- C54.875 H43.75 Cl1.75 N4 Os P2 -","- C219.5 H175 Cl7 N16 Os4 P8 -","4","2","","Alabau, Roberto G.; Esteruelas, Miguel A.; Oliván, Montserrat; Oñate, Enrique; Palacios, Adrián U.; Tsai, Jui-Yi; Xia, Chuanjun","Osmium(II) Complexes Containing a Dianionic CCCC-Donor Tetradentate Ligand","Organometallics","2016","35","23","3981","","10.1021/acs.organomet.6b00776","","","0.71073","MoKα","","0.0465","0.0352","","","0.0947","0.1011","","","","","","1.037","","","","has coordinates,has disorder","238011","2020-10-21","18:00:00",""
"4089166","20.47","0.003","19.715","0.003","24.976","0.003","90","","104.265","0.002","90","","9769","2","100","2","100","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C59.5 H47 Cl3 N4 Os P2 -","- C59.5 H47 Cl3 N4 Os P2 -","- C476 H376 Cl24 N32 Os8 P16 -","8","2","","Alabau, Roberto G.; Esteruelas, Miguel A.; Oliván, Montserrat; Oñate, Enrique; Palacios, Adrián U.; Tsai, Jui-Yi; Xia, Chuanjun","Osmium(II) Complexes Containing a Dianionic CCCC-Donor Tetradentate Ligand","Organometallics","2016","35","23","3981","","10.1021/acs.organomet.6b00776","","","0.71073","MoKα","","0.0548","0.0469","","","0.1142","0.1196","","","","","","1.041","","","","has coordinates,has disorder","238011","2020-10-21","18:00:00",""
"4089167","13.5713","0.0014","19.295","0.002","18.4609","0.0019","90","","108.697","0.001","90","","4579","0.8","100","2","100","2","","","","","","","","9","P 1 21/c 1","-P 2ybc","14","","","","- C50.5 H43.5 Cl F3 N4.5 O3 Os P2 S -","- C50.5 H43.5 Cl F3 N4.5 O3 Os P2 S -","- C202 H174 Cl4 F12 N18 O12 Os4 P8 S4 -","4","1","","Alabau, Roberto G.; Esteruelas, Miguel A.; Oliván, Montserrat; Oñate, Enrique; Palacios, Adrián U.; Tsai, Jui-Yi; Xia, Chuanjun","Osmium(II) Complexes Containing a Dianionic CCCC-Donor Tetradentate Ligand","Organometallics","2016","35","23","3981","","10.1021/acs.organomet.6b00776","","","0.71073","MoKα","","0.0613","0.04","","","0.0712","0.0793","","","","","","1.03","","","","has coordinates,has disorder","238011","2020-10-21","18:00:00",""
"4089168","12.5444","0.0009","14.9861","0.0011","18.259","0.0014","72.482","0.001","83.013","0.001","78.546","0.001","3201.1","0.4","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C82 H70 N4 Os P2 -","- C82 H70 N4 Os P2 -","- C164 H140 N8 Os2 P4 -","2","1","","Alabau, Roberto G.; Esteruelas, Miguel A.; Oliván, Montserrat; Oñate, Enrique; Palacios, Adrián U.; Tsai, Jui-Yi; Xia, Chuanjun","Osmium(II) Complexes Containing a Dianionic CCCC-Donor Tetradentate Ligand","Organometallics","2016","35","23","3981","","10.1021/acs.organomet.6b00776","","","0.71073","MoKα","","0.0579","0.044","","","0.0707","0.0768","","","","","","1.047","","","","has coordinates","238011","2020-10-21","18:00:00",""
"4089169","9.2449","0.0005","15.184","0.0009","24.8996","0.0015","90","","94.524","0.002","90","","3484.4","0.3","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H19 Mn N2 O2 -","- C20 H19 Mn N2 O2 -","- C160 H152 Mn8 N16 O16 -","8","2","","Valyaev, Dmitry A.; Wei, Duo; Elangovan, Saravanakumar; Cavailles, Matthieu; Dorcet, Vincent; Sortais, Jean-Baptiste; Darcel, Christophe; Lugan, Noël","Half-Sandwich Manganese Complexes Bearing Cp Tethered N-Heterocyclic Carbene Ligands: Synthesis and Mechanistic Insights into the Catalytic Ketone Hydrosilylation","Organometallics","2016","35","24","4090","","10.1021/acs.organomet.6b00785","","x-ray","0.71073","MoKα","","0.0292","0.0262","","","0.0709","0.0732","","","","","","1.041","","","","has coordinates","238013","2020-10-21","18:00:00",""
"4089170","11.5849","0.0007","12.3559","0.0007","12.3781","0.0007","90","","94.879","0.002","90","","1765.4","0.18","173","2","173","2","","","","","","","synthesis as described","5","P 1 21/n 1","-P 2yn","14","","","","- C21 H21 Mn N2 O2 -","- C21 H21 Mn N2 O2 -","- C84 H84 Mn4 N8 O8 -","4","1","","Valyaev, Dmitry A.; Wei, Duo; Elangovan, Saravanakumar; Cavailles, Matthieu; Dorcet, Vincent; Sortais, Jean-Baptiste; Darcel, Christophe; Lugan, Noël","Half-Sandwich Manganese Complexes Bearing Cp Tethered N-Heterocyclic Carbene Ligands: Synthesis and Mechanistic Insights into the Catalytic Ketone Hydrosilylation","Organometallics","2016","35","24","4090","","10.1021/acs.organomet.6b00785","","x-ray","0.71073","MoKα","","0.026","0.0248","","","0.0659","0.0671","","","","","","1.051","","","","has coordinates","238013","2020-10-21","18:00:00",""
"4089171","11.8276","0.0005","17.7797","0.0007","28.1804","0.0017","90","","97.803","0.005","90","","5871.2","0.5","123","2","123","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C32 H33 Mn N2 O Si -","- C32 H33 Mn N2 O Si -","- C256 H264 Mn8 N16 O8 Si8 -","8","1","","Valyaev, Dmitry A.; Wei, Duo; Elangovan, Saravanakumar; Cavailles, Matthieu; Dorcet, Vincent; Sortais, Jean-Baptiste; Darcel, Christophe; Lugan, Noël","Half-Sandwich Manganese Complexes Bearing Cp Tethered N-Heterocyclic Carbene Ligands: Synthesis and Mechanistic Insights into the Catalytic Ketone Hydrosilylation","Organometallics","2016","35","24","4090","","10.1021/acs.organomet.6b00785","","x-ray","0.71073","MoKα","","0.0364","0.0344","","","0.0815","0.0828","","","","","","1.114","","","","has coordinates","238013","2020-10-21","18:00:00",""
"4089172","7.8688","0.0005","17.8536","0.001","29.6812","0.0019","90","","97.808","0.005","90","","4131.1","0.4","173","2","173","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C29 H23 B -","- C29 H23 B -","- C232 H184 B8 -","8","2","","Hertz, Valentin M.; Ando, Naoki; Hirai, Masato; Bolte, Michael; Lerner, Hans-Wolfram; Yamaguchi, Shigehiro; Wagner, Matthias","Steric Shielding vs Structural Constraint in a Boron-Containing Polycyclic Aromatic Hydrocarbon","Organometallics","2016","36","14","2512","","10.1021/acs.organomet.6b00800","","","0.71073","MoKα","","0.1062","0.0737","","","0.1578","0.1758","","","","","","1.716","","","","has coordinates","238015","2020-10-21","18:00:00",""
"4089173","14.4275","0.0006","10.0776","0.0003","15.0991","0.0006","90","","92.965","0.003","90","","2192.39","0.14","173","2","173","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C32 H25 B -","- C32 H25 B -","- C128 H100 B4 -","4","1","","Hertz, Valentin M.; Ando, Naoki; Hirai, Masato; Bolte, Michael; Lerner, Hans-Wolfram; Yamaguchi, Shigehiro; Wagner, Matthias","Steric Shielding vs Structural Constraint in a Boron-Containing Polycyclic Aromatic Hydrocarbon","Organometallics","2016","36","14","2512","","10.1021/acs.organomet.6b00800","","","0.71073","MoKα","","0.0667","0.055","","","0.1378","0.1443","","","","","","1.127","","","","has coordinates","238015","2020-10-21","18:00:00",""
"4089174","22.6181","0.0019","5.9841","0.0005","23.677","0.0017","90","","95.416","0.007","90","","3190.4","0.4","180","2","180","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C20 H15 B Cl N -","- C20 H15 B Cl N -","- C160 H120 B8 Cl8 N8 -","8","1","","Zhuang, Fang-Dong; Han, Ji-Min; Tang, Sheng; Yang, Jing-Hui; Chen, Qi-Ran; Wang, Jie-Yu; Pei, Jian","Efficient Modular Synthesis of Substituted Borazaronaphthalene","Organometallics","2016","36","14","2479","","10.1021/acs.organomet.6b00811","","","0.71073","MoKα","","0.1187","0.0599","","","0.1137","0.1417","","","","","","1.048","","","","has coordinates","238017","2020-10-21","18:00:00",""
"4089176","16.6553","0.0008","16.0357","0.0007","18.7868","0.0009","90","","115.329","0.002","90","","4535.2","0.4","100","2","100","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C40 H44 Cl4 F6 Mo N4 O6 S2 -","- C40 H44 Cl4 F6 Mo N4 O6 S2 -","- C160 H176 Cl16 F24 Mo4 N16 O24 S8 -","4","1","","Elser, Iris; Frey, Wolfgang; Wurst, Klaus; Buchmeiser, Michael R.","Molybdenum Imido Alkylidene Complexes Containing N- and C-Chelating N-Heterocyclic Carbenes","Organometallics","2016","35","24","4106","","10.1021/acs.organomet.6b00835","","","0.71073","MoKα","","0.0589","0.0372","","","0.0808","0.0863","","","","","","1.045","","","","has coordinates","238020","2020-10-21","18:00:00",""
"4089177","10.0581","0.0006","17.0305","0.0008","21.8889","0.0012","77.026","0.003","86.625","0.004","80.441","0.003","3602.1","0.3","100","2","100","2","","","","","","","","9","P -1","-P 1","2","","","","- C70 H54 B Cl2 F27 Mo N4 O3 S -","- C70 H54 B Cl2 F27 Mo N4 O3 S -","- C140 H108 B2 Cl4 F54 Mo2 N8 O6 S2 -","2","1","","Elser, Iris; Frey, Wolfgang; Wurst, Klaus; Buchmeiser, Michael R.","Molybdenum Imido Alkylidene Complexes Containing N- and C-Chelating N-Heterocyclic Carbenes","Organometallics","2016","35","24","4106","","10.1021/acs.organomet.6b00835","","","1.54178","CuKα","","0.0785","0.0532","","","0.1375","0.1491","","","","","","1.053","","","","has coordinates,has disorder","238020","2020-10-21","18:00:00",""
"4089178","11.3566","0.0005","11.3694","0.0004","19.1687","0.0008","103.513","0.002","91.108","0.002","118.335","0.002","2093.5","0.16","193","2","193","2","","","","","","","","8","P -1","-P 1","2","","","","- C41 H48 Cl2 F3 Mo N3 O3 S -","- C41 H48 Cl2 F3 Mo N3 O3 S -","- C82 H96 Cl4 F6 Mo2 N6 O6 S2 -","2","1","","Elser, Iris; Frey, Wolfgang; Wurst, Klaus; Buchmeiser, Michael R.","Molybdenum Imido Alkylidene Complexes Containing N- and C-Chelating N-Heterocyclic Carbenes","Organometallics","2016","35","24","4106","","10.1021/acs.organomet.6b00835","","","0.71073","MoKα","","0.0678","0.0501","","","0.1102","0.117","","","","","","1.052","","","","has coordinates,has disorder","238020","2020-10-21","18:00:00",""
"4089179","13.3742","0.0006","23.9873","0.0008","14.8366","0.0005","90","","109.445","0.0012","90","","4488.3","0.3","93","","93","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C55 H53 N2 O2 P2 Rh2 -","- C55 H53 N2 O2 P2 Rh2 -","- C220 H212 N8 O8 P8 Rh8 -","4","1","","Takano, Shotaro; Kochi, Takuya; Kakiuchi, Fumitoshi","Synthesis and Reactivity of Phosphine-Quinolinolato Rhodium Complexes: Intermediacy of Vinylidene and (Amino)carbene Complexes in the Catalytic Hydroamination of Terminal Alkynes","Organometallics","2016","35","24","4112","","10.1021/acs.organomet.6b00853","","","0.71075","MoKα","","0.0402","0.035","","","0.0876","0.0911","","","","","","1.069","","","","has coordinates","238022","2020-10-21","18:00:00",""
"4089180","17.4145","0.0018","10.5055","0.001","20.283","0.002","90","","101.007","0.003","90","","3642.5","0.6","103","2","103","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C46 H38 N O P2 Rh -","- C46 H38 N O P2 Rh -","- C184 H152 N4 O4 P8 Rh4 -","4","1","","Takano, Shotaro; Kochi, Takuya; Kakiuchi, Fumitoshi","Synthesis and Reactivity of Phosphine-Quinolinolato Rhodium Complexes: Intermediacy of Vinylidene and (Amino)carbene Complexes in the Catalytic Hydroamination of Terminal Alkynes","Organometallics","2016","35","24","4112","","10.1021/acs.organomet.6b00853","","","0.71075","MoKα","","0.0536","0.0427","","","0.0883","0.0924","","","","","","1.085","","","","has coordinates,has disorder","238022","2020-10-21","18:00:00",""
"4089181","11.9073","0.0015","13.9158","0.0016","12.1176","0.0016","90","","109.92","0.004","90","","1887.7","0.4","103","2","103","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C23 H17 N O2 P Rh -","- C23 H17 N O2 P Rh -","- C92 H68 N4 O8 P4 Rh4 -","4","1","","Takano, Shotaro; Kochi, Takuya; Kakiuchi, Fumitoshi","Synthesis and Reactivity of Phosphine-Quinolinolato Rhodium Complexes: Intermediacy of Vinylidene and (Amino)carbene Complexes in the Catalytic Hydroamination of Terminal Alkynes","Organometallics","2016","35","24","4112","","10.1021/acs.organomet.6b00853","","","0.71075","MoKα","","0.0357","0.0302","","","0.0688","0.0704","","","","","","1.16","","","","has coordinates","238022","2020-10-21","18:00:00",""
"4089182","11.565","0.003","13.308","0.003","15.714","0.004","76.492","0.005","77.381","0.005","79.321","0.005","2271.7","1","103","2","103","2","","","","","","","","7","P -1","-P 1","2","","","","- C56 H44 Fe N2 O2 P2 Rh2 -","- C56 H44 Fe N2 O2 P2 Rh2 -","- C112 H88 Fe2 N4 O4 P4 Rh4 -","2","1","","Takano, Shotaro; Kochi, Takuya; Kakiuchi, Fumitoshi","Synthesis and Reactivity of Phosphine-Quinolinolato Rhodium Complexes: Intermediacy of Vinylidene and (Amino)carbene Complexes in the Catalytic Hydroamination of Terminal Alkynes","Organometallics","2016","35","24","4112","","10.1021/acs.organomet.6b00853","","","0.71075","MoKα","","0.124","0.0712","","","0.1811","0.2058","","","","","","0.917","","","","has coordinates","238022","2020-10-21","18:00:00",""
"4089183","9.4911","0.0006","12.682","0.0008","13.2312","0.0007","82.5351","0.0015","83.8707","0.0016","78.7654","0.0017","1543.39","0.16","108","2","108","2","","","","","","","","6","P -1","-P 1","2","","","","- C38 H40 N2 O P Rh -","- C38 H40 N2 O P Rh -","- C76 H80 N4 O2 P2 Rh2 -","2","1","","Takano, Shotaro; Kochi, Takuya; Kakiuchi, Fumitoshi","Synthesis and Reactivity of Phosphine-Quinolinolato Rhodium Complexes: Intermediacy of Vinylidene and (Amino)carbene Complexes in the Catalytic Hydroamination of Terminal Alkynes","Organometallics","2016","35","24","4112","","10.1021/acs.organomet.6b00853","","","0.71075","MoKα","","0.0345","0.0299","","","0.0743","0.0784","","","","","","1.134","","","","has coordinates","238022","2020-10-21","18:00:00",""
"4124756","8.5387","0.0004","30.5348","0.0014","15.3867","0.0007","90","","101.251","0.0019","90","","3934.6","0.3","123","2","123","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C39 H56 Cu N6 O7 -","- C39 H56 Cu N6 O7 -","- C156 H224 Cu4 N24 O28 -","4","1","","Dhar, Debanjan; Yee, Gereon M.; Spaeth, Andrew D.; Boyce, David W.; Zhang, Hongtu; Dereli, Büsra; Cramer, Christopher J.; Tolman, William B.","Perturbing the Copper(III)-Hydroxide Unit through Ligand Structural Variation.","Journal of the American Chemical Society","2016","138","1","356","368","10.1021/jacs.5b10985","","","1.54178","CuKα","","0.0411","0.04","","","0.1034","0.1045","","","","","","1.042","","","","has coordinates","175787","2020-10-21","18:00:00",""
"4124757","10.0248","0.0007","14.0793","0.0009","26.1018","0.0017","90","","99.111","0.003","90","","3637.6","0.4","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C35 H41 Cu N7 O6 -","- C35 H41 Cu N7 O6 -","- C140 H164 Cu4 N28 O24 -","4","1","","Dhar, Debanjan; Yee, Gereon M.; Spaeth, Andrew D.; Boyce, David W.; Zhang, Hongtu; Dereli, Büsra; Cramer, Christopher J.; Tolman, William B.","Perturbing the Copper(III)-Hydroxide Unit through Ligand Structural Variation.","Journal of the American Chemical Society","2016","138","1","356","368","10.1021/jacs.5b10985","","","1.54178","CuKα","","0.0763","0.0698","","","0.1758","0.181","","","","","","1.046","","","","has coordinates,has disorder","175787","2020-10-21","18:00:00",""
"4124758","10.2606","0.0002","13.1441","0.0003","26.477","0.0006","90","","97.3942","0.0009","90","","3541.16","0.13","123","2","123","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C35 H47 Cu N5 O9 -","- C35 H47 Cu N5 O9 -","- C140 H188 Cu4 N20 O36 -","4","1","","Dhar, Debanjan; Yee, Gereon M.; Spaeth, Andrew D.; Boyce, David W.; Zhang, Hongtu; Dereli, Büsra; Cramer, Christopher J.; Tolman, William B.","Perturbing the Copper(III)-Hydroxide Unit through Ligand Structural Variation.","Journal of the American Chemical Society","2016","138","1","356","368","10.1021/jacs.5b10985","","","1.54178","CuKα","","0.0444","0.0416","","","0.1062","0.1083","","","","","","1.037","","","","has coordinates","175787","2020-10-21","18:00:00",""
"4124759","12.8711","0.0002","16.7852","0.0003","17.7561","0.0003","92.71","0.001","108.615","0.001","90.375","0.001","3630.4","0.11","123","2","123","2","","","","","","","","5","P -1","-P 1","2","","","","- C74 H94 Cu2 N10 O15 -","- C74 H94 Cu2 N10 O15 -","- C148 H188 Cu4 N20 O30 -","2","1","","Dhar, Debanjan; Yee, Gereon M.; Spaeth, Andrew D.; Boyce, David W.; Zhang, Hongtu; Dereli, Büsra; Cramer, Christopher J.; Tolman, William B.","Perturbing the Copper(III)-Hydroxide Unit through Ligand Structural Variation.","Journal of the American Chemical Society","2016","138","1","356","368","10.1021/jacs.5b10985","","","1.54178","CuKα","","0.0398","0.0349","","","0.0886","0.0919","","","","","","1.023","","","","has coordinates,has disorder","175787","2020-10-21","18:00:00",""
"4124760","28.2007","0.0011","10.4931","0.0004","24.5728","0.0009","90","","97.5196","0.0012","90","","7208.9","0.5","123","2","123","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C67 H108 Cu2 N6 Na2 O11 -","- C67 H108 Cu2 N6 Na2 O11 -","- C268 H432 Cu8 N24 Na8 O44 -","4","0.5","","Dhar, Debanjan; Yee, Gereon M.; Spaeth, Andrew D.; Boyce, David W.; Zhang, Hongtu; Dereli, Büsra; Cramer, Christopher J.; Tolman, William B.","Perturbing the Copper(III)-Hydroxide Unit through Ligand Structural Variation.","Journal of the American Chemical Society","2016","138","1","356","368","10.1021/jacs.5b10985","","","1.54178","CuKα","","0.0372","0.0325","","","0.0856","0.0889","","","","","","1.052","","","","has coordinates,has disorder","175787","2020-10-21","18:00:00",""
"4124761","10.565","0.0005","13.5339","0.0006","14.0295","0.0006","94.545","0.001","106.021","0.001","102.985","0.001","1857.31","0.15","173","2","173","2","","","","","","","","6","P 1","P 1","1","14105f","","","- C34 H54 Cu N3 Na O5 -","- C34 H54 Cu N3 Na O5 -","- C68 H108 Cu2 N6 Na2 O10 -","2","2","","Dhar, Debanjan; Yee, Gereon M.; Spaeth, Andrew D.; Boyce, David W.; Zhang, Hongtu; Dereli, Büsra; Cramer, Christopher J.; Tolman, William B.","Perturbing the Copper(III)-Hydroxide Unit through Ligand Structural Variation.","Journal of the American Chemical Society","2016","138","1","356","368","10.1021/jacs.5b10985","","","0.71073","MoKα","","0.0525","0.0469","","","0.1262","0.1301","","","","","","1.023","","","","has coordinates,has disorder","286259","2023-09-07","06:04:45",""
"4124762","13.1917","0.0007","16.322","0.0008","19.9519","0.0012","90","","95.67","0.002","90","","4274.9","0.4","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","bmkxr65","","","- C42 H68 N7 Nb -","- C42 H68 N7 Nb -","- C168 H272 N28 Nb4 -","4","1","","Kriegel, Benjamin M.; Bergman, Robert G.; Arnold, John","Nitrene Metathesis and Catalytic Nitrene Transfer Promoted by Niobium Bis(imido) Complexes.","Journal of the American Chemical Society","2016","138","1","52","55","10.1021/jacs.5b11287","","","0.71073","MoKα","","0.0504","0.039","","","0.0963","0.1024","","","","","","1.05","","","","has coordinates,has disorder","175788","2020-10-21","18:00:00",""
"4124763","32.2869","0.0018","13.8363","0.0008","24.0429","0.0014","90","","110.578","0.003","90","","10055.4","1","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","bmkxr64","","","- C56 H72 N5 Nb -","- C56 H72 N5 Nb -","- C448 H576 N40 Nb8 -","8","2","","Kriegel, Benjamin M.; Bergman, Robert G.; Arnold, John","Nitrene Metathesis and Catalytic Nitrene Transfer Promoted by Niobium Bis(imido) Complexes.","Journal of the American Chemical Society","2016","138","1","52","55","10.1021/jacs.5b11287","","","0.71073","MoKα","","0.0741","0.059","","","0.143","0.1515","","","","","","1.024","","","","has coordinates","175788","2020-10-21","18:00:00",""
"4124764","13.0963","0.0005","20.4362","0.0007","21.6295","0.0007","90","","101.979","0.002","90","","5662.8","0.3","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","bmkxr56","","","- C58 H95 N8 Nb -","- C58 H95 N8 Nb -","- C232 H380 N32 Nb4 -","4","1","","Kriegel, Benjamin M.; Bergman, Robert G.; Arnold, John","Nitrene Metathesis and Catalytic Nitrene Transfer Promoted by Niobium Bis(imido) Complexes.","Journal of the American Chemical Society","2016","138","1","52","55","10.1021/jacs.5b11287","","","0.71073","MoKα","","0.0823","0.0571","","","0.1407","0.1572","","","","","","1.046","","","","has coordinates","175788","2020-10-21","18:00:00",""
"4124765","18.8907","0.001","11.1261","0.0006","21.1544","0.0011","90","","100.794","0.002","90","","4367.6","0.4","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","bmkxr36","","","- C45 H66 N5 Nb O -","- C45 H66 N5 Nb O -","- C180 H264 N20 Nb4 O4 -","4","1","","Kriegel, Benjamin M.; Bergman, Robert G.; Arnold, John","Nitrene Metathesis and Catalytic Nitrene Transfer Promoted by Niobium Bis(imido) Complexes.","Journal of the American Chemical Society","2016","138","1","52","55","10.1021/jacs.5b11287","","","0.71073","MoKα","","0.0299","0.0257","","","0.0622","0.0644","","","","","","1.068","","","","has coordinates","175788","2020-10-21","18:00:00",""
"4124766","11.1908","0.0004","17.8757","0.0007","24.6374","0.0009","90","","90.4053","0.0008","90","","4928.4","0.3","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","bmkxr19","","","- C49.75 H76.75 N5 Nb -","- C49.735 H76.715 N5 Nb -","- C198.94 H306.86 N20 Nb4 -","4","1","","Kriegel, Benjamin M.; Bergman, Robert G.; Arnold, John","Nitrene Metathesis and Catalytic Nitrene Transfer Promoted by Niobium Bis(imido) Complexes.","Journal of the American Chemical Society","2016","138","1","52","55","10.1021/jacs.5b11287","","","0.71073","MoKα","","0.0454","0.0357","","","0.073","0.0768","","","","","","1.094","","","","has coordinates","175788","2020-10-21","18:00:00",""
"4124767","12.2648","0.0005","20.8147","0.0009","17.2712","0.0007","90","","100.263","0.002","90","","4338.6","0.3","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","bmkxr29","","","- C46 H68 N5 Nb -","- C46 H68 N5 Nb -","- C184 H272 N20 Nb4 -","4","1","","Kriegel, Benjamin M.; Bergman, Robert G.; Arnold, John","Nitrene Metathesis and Catalytic Nitrene Transfer Promoted by Niobium Bis(imido) Complexes.","Journal of the American Chemical Society","2016","138","1","52","55","10.1021/jacs.5b11287","","","0.71073","MoKα","","0.03","0.0258","","","0.0594","0.0623","","","","","","1.021","","","","has coordinates","175788","2020-10-21","18:00:00",""
"4124768","19.7899","0.0015","15.6263","0.0011","17.021","0.0014","90","","103.833","0.004","90","","5111","0.7","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","bmkxr60","","","- C54 H80 N5 Nb -","- C54 H80 N5 Nb -","- C216 H320 N20 Nb4 -","4","1","","Kriegel, Benjamin M.; Bergman, Robert G.; Arnold, John","Nitrene Metathesis and Catalytic Nitrene Transfer Promoted by Niobium Bis(imido) Complexes.","Journal of the American Chemical Society","2016","138","1","52","55","10.1021/jacs.5b11287","","","0.71073","MoKα","","0.0844","0.0481","","","0.1011","0.1189","","","","","","1.019","","","","has coordinates,has disorder","175788","2020-10-21","18:00:00",""
"4124769","11.0636","0.0005","13.0724","0.0006","13.4439","0.0006","92.209","0.002","102.071","0.002","96.205","0.002","1886.49","0.15","100","2","100","2","","","","","","","","5","P -1","-P 1","2","bmkxr30","","","- C36 H59 N4 Nb Si -","- C36 H59 N4 Nb Si -","- C72 H118 N8 Nb2 Si2 -","2","1","","Kriegel, Benjamin M.; Bergman, Robert G.; Arnold, John","Nitrene Metathesis and Catalytic Nitrene Transfer Promoted by Niobium Bis(imido) Complexes.","Journal of the American Chemical Society","2016","138","1","52","55","10.1021/jacs.5b11287","","","0.71073","MoKα","","0.0229","0.0211","","","0.0525","0.0535","","","","","","1.076","","","","has coordinates","175788","2020-10-21","18:00:00",""
"4124770","25.273","0.005","15.103","0.005","19.695","0.005","90","0.005","95.233","0.005","90","0.005","7486","3","121","2","121","2","","","","","","","","7","C 1 2/m 1","-C 2y","12","VSc2N@Ih(7)-C80/Ni(OEP)/1.67C6H6/0.33CHCl3","","","- C126.5 H54.5 Cl N4 Ni Sc2 V -","- C125.825 H53.7048 Cl1.3764 N5 Ni Sc2 V -","- C503.299 H214.819 Cl5.5056 N20 Ni4 Sc8 V4 -","4","0.5","","Wei, Tao; Wang, Song; Lu, Xing; Tan, Yuanzhi; Huang, Jing; Liu, Fupin; Li, Qunxiang; Xie, Suyuan; Yang, Shangfeng","Entrapping a Group-VB Transition Metal, Vanadium, within an Endohedral Metallofullerene: VxSc3-xN@Ih-C80 (x = 1, 2).","Journal of the American Chemical Society","2016","138","1","207","214","10.1021/jacs.5b10115","","","0.71073","MoKα","","0.1395","0.1194","","","0.2844","0.298","","","","","","1.444","","","","has coordinates,has disorder","175789","2020-10-21","18:00:00",""
"4124771","25.2821","0.0015","15.1254","0.001","19.7824","0.0016","90","","94.822","0.006","90","","7538.1","0.9","100","2","100.01","0.02","","","","","","","","6","C 1 2/m 1","-C 2y","12","ScV2N@Ih(7)-C80/Ni(OEP)/2benzene;","","","- C128.5 H56 N5 Ni Sc V2 -","- C128.552 H56 N5 Ni Sc V2 -","- C514.208 H224 N20 Ni4 Sc4 V8 -","4","0.5","","Wei, Tao; Wang, Song; Lu, Xing; Tan, Yuanzhi; Huang, Jing; Liu, Fupin; Li, Qunxiang; Xie, Suyuan; Yang, Shangfeng","Entrapping a Group-VB Transition Metal, Vanadium, within an Endohedral Metallofullerene: VxSc3-xN@Ih-C80 (x = 1, 2).","Journal of the American Chemical Society","2016","138","1","207","214","10.1021/jacs.5b10115","","","1.54184","CuKα","","0.1369","0.1234","","","0.3252","0.3402","","","","","","1.339","","","","has coordinates,has disorder","175789","2020-10-21","18:00:00",""
"4124839","25.92","0.005","28.56","0.006","40.27","0.008","90","","90","","90","","29811","10","250","2","250","2","","","","","","","","4","F m m m","-F 2 2","69","","","","- C64 H34 O20 Zn4 -","- C64 H34 O20 Zn4 -","- C512 H272 O160 Zn32 -","8","0.25","","Spanopoulos, Ioannis; Tsangarakis, Constantinos; Klontzas, Emmanuel; Tylianakis, Emmanuel; Froudakis, George; Adil, Karim; Belmabkhout, Youssef; Eddaoudi, Mohamed; Trikalitis, Pantelis N.","Reticular Synthesis of HKUST-like tbo-MOFs with Enhanced CH4 Storage.","Journal of the American Chemical Society","2016","138","5","1568","1574","10.1021/jacs.5b11079","","","0.91841","","","0.1424","0.1413","","","0.4933","0.4954","","","","","","2.653","","","","has coordinates","177407","2020-10-21","18:00:00",""
"4124840","25.616","0.002","28.157","0.003","40.549","0.004","90","","90","","90","","29247","5","250","2","250","2","","","","","","","","4","F m m m","-F 2 2","69","","","","- C64 H34 Cu4 O20 -","- C64 H34 Cu4 O20 -","- C512 H272 Cu32 O160 -","8","0.25","","Spanopoulos, Ioannis; Tsangarakis, Constantinos; Klontzas, Emmanuel; Tylianakis, Emmanuel; Froudakis, George; Adil, Karim; Belmabkhout, Youssef; Eddaoudi, Mohamed; Trikalitis, Pantelis N.","Reticular Synthesis of HKUST-like tbo-MOFs with Enhanced CH4 Storage.","Journal of the American Chemical Society","2016","138","5","1568","1574","10.1021/jacs.5b11079","","","1.0402","","","0.1519","0.1463","","","0.4529","0.4608","","","","","","2.011","","","","has coordinates","177407","2020-10-21","18:00:00",""
"4124841","16.3143","0.0003","19.5553","0.0004","13.7512","0.0002","90","","93.026","0.001","90","","4380.94","0.14","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C52 H55 N3 O -","- C52 H55 N3 O -","- C208 H220 N12 O4 -","4","1","","Rajamalli, Pachaiyappan; Senthilkumar, Natarajan; Gandeepan, Parthasarathy; Huang, Pei-Yun; Huang, Min-Jie; Ren-Wu, Chen-Zheng; Yang, Chi-Yu; Chiu, Ming-Jui; Chu, Li-Kang; Lin, Hao-Wu; Cheng, Chien-Hong","A New Molecular Design Based on Thermally Activated Delayed Fluorescence for Highly Efficient Organic Light Emitting Diodes.","Journal of the American Chemical Society","2016","138","2","628","634","10.1021/jacs.5b10950","","","1.54178","CuKα","","0.0703","0.0529","","","0.1454","0.1605","","","","","","1.027","","","","has coordinates,has disorder","175782","2020-10-21","18:00:00",""
"4124871","19.913","0.006","10.816","0.003","17.349","0.005","90","","96.843","0.004","90","","3710","1.9","90","","90","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C49 H42 N2 O -","- C49 H42 N2 O -","- C196 H168 N8 O4 -","4","1","","Yamaguchi, Tetsuo; Kobayashi, Yoichi; Abe, Jiro","Fast Negative Photochromism of 1,1'-Binaphthyl-Bridged Phenoxyl-Imidazolyl Radical Complex.","Journal of the American Chemical Society","2016","138","3","906","913","10.1021/jacs.5b10924","","","0.71073","MoKα","","0.1458","0.0584","","","0.1058","0.137","","","","","","0.934","","","","has coordinates,has disorder","175784","2020-10-21","18:00:00",""
"4124872","11.619","0.002","18.416","0.003","19.597","0.004","77.068","0.002","81.666","0.002","89.163","0.002","4043.1","1.3","90","","90","","","","","","","","","4","P -1","-P 1","2","","","","- C51 H45 N3 O -","- C51 H45 N3 O -","- C204 H180 N12 O4 -","4","2","","Yamaguchi, Tetsuo; Kobayashi, Yoichi; Abe, Jiro","Fast Negative Photochromism of 1,1'-Binaphthyl-Bridged Phenoxyl-Imidazolyl Radical Complex.","Journal of the American Chemical Society","2016","138","3","906","913","10.1021/jacs.5b10924","","","0.71073","MoKα","","0.0622","0.0425","","","0.1018","0.1104","","","","","","0.984","","","","has coordinates","175784","2020-10-21","18:00:00",""
"4124873","10.089","0.009","18.21","0.015","22.72","0.02","90","","99.557","0.014","90","","4116","6","90","","90","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C53 H48 N2 O3 -","- C53 H48 N2 O3 -","- C212 H192 N8 O12 -","4","1","","Yamaguchi, Tetsuo; Kobayashi, Yoichi; Abe, Jiro","Fast Negative Photochromism of 1,1'-Binaphthyl-Bridged Phenoxyl-Imidazolyl Radical Complex.","Journal of the American Chemical Society","2016","138","3","906","913","10.1021/jacs.5b10924","","","0.71073","MoKα","","0.14","0.0658","","","0.1585","0.1937","","","","","","0.986","","","","has coordinates","175784","2020-10-21","18:00:00",""
"4124874","10.2781","0.0004","12.6985","0.0004","15.9497","0.0005","90","","95.976","0.002","90","","2070.39","0.12","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C41 H27 B Br2 O5 -","- C41 H27 B Br2 O5 -","- C82 H54 B2 Br4 O10 -","2","1","","Qi, Chao; Xiong, Yuan; Eschenbrenner-Lux, Vincent; Cong, Huan; Porco, Jr, John A","Asymmetric Syntheses of the Flavonoid Diels-Alder Natural Products Sanggenons C and O.","Journal of the American Chemical Society","2016","138","3","798","801","10.1021/jacs.5b12778","","","1.54178","CuKα","","0.0335","0.0328","","","0.0841","0.0845","","","","","","1.036","","","","has coordinates","175785","2020-10-21","18:00:00",""
"4124875","11.8799","0.001","12.0496","0.0012","14.8783","0.0013","90","","90","","90","","2129.8","0.3","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C26 H23 Br O2 -","- C26 H23 Br O2 -","- C104 H92 Br4 O8 -","4","1","","Qi, Chao; Xiong, Yuan; Eschenbrenner-Lux, Vincent; Cong, Huan; Porco, Jr, John A","Asymmetric Syntheses of the Flavonoid Diels-Alder Natural Products Sanggenons C and O.","Journal of the American Chemical Society","2016","138","3","798","801","10.1021/jacs.5b12778","","","1.54178","CuKα","","0.0272","0.0245","","","0.0552","0.0569","","","","","","1.082","","","","has coordinates","175785","2020-10-21","18:00:00",""
"4124876","35.95","0.006","35.95","","13.522","0.002","90","","90","","120","","15135","3","190","2","190","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C132 H210 Cl6 Mn19 N66 O54 -","- C132 H210 Cl6 Mn19 N66 O54 -","- C396 H630 Cl18 Mn57 N198 O162 -","3","0.166667","","Deng, Yong-Kai; Su, Hai-Feng; Xu, Jia-Heng; Wang, Wen-Guang; Kurmoo, Mohamedally; Lin, Shui-Chao; Tan, Yuan-Zhi; Jia, Jiong; Sun, Di; Zheng, Lan-Sun","Hierarchical Assembly of a {Mn(II)15Mn(III)4} Brucite Disc: Step-by-Step Formation and Ferrimagnetism.","Journal of the American Chemical Society","2016","138","4","1328","1334","10.1021/jacs.5b11736","","","0.71073","MoKα","","0.2127","0.0757","","","0.1656","0.2186","","","","","","0.984","","","","has coordinates","264242","2021-04-16","08:52:16",""
"4124877","17.156","0.0006","26.5424","0.0009","21.8954","0.0007","90","","96.76","0.003","90","","9901","0.6","240","2","240","2","","","","","","","","4","P 1 2/c 1","-P 2yc","13","Au28(SC6H11)20","","","- C120 H220 Au28 S20 -","- C120 H220 Au28 S20 -","- C240 H440 Au56 S40 -","2","0.5","","Chen, Yuxiang; Liu, Chong; Tang, Qing; Zeng, Chenjie; Higaki, Tatsuya; Das, Anindita; Jiang, De-En; Rosi, Nathaniel L.; Jin, Rongchao","Isomerism in Au28(SR)20 Nanocluster and Stable Structures.","Journal of the American Chemical Society","2016","138","5","1482","1485","10.1021/jacs.5b12094","","","1.54178","CuKα","","0.1986","0.1081","","","0.2596","0.3335","","","","","","1.007","","","","has coordinates","177406","2020-10-21","18:00:00",""
"4124878","21.2586","0.0005","8.5005","0.0002","20.4725","0.0005","90","","117.999","0.001","90","","3266.55","0.14","100","1","100","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H18 F6 O Si -","- C15 H18 F6 O Si -","- C120 H144 F48 O8 Si8 -","8","2","","Martinez-Solorio, Dionicio; Melillo, Bruno; Sanchez, Luis; Liang, Yong; Lam, Erwin; Houk, K. N.; Smith, 3rd, Amos B","Design, Synthesis, and Validation of an Effective, Reusable Silicon-Based Transfer Agent for Room-Temperature Pd-Catalyzed Cross-Coupling Reactions of Aryl and Heteroaryl Chlorides with Readily Available Aryl Lithium Reagents.","Journal of the American Chemical Society","2016","138","6","1836","1839","10.1021/jacs.5b13260","","","0.71073","MoKα","","0.038","0.0312","","","0.08","0.0843","","","","","","1.077","","","","has coordinates","177404","2020-10-21","18:00:00",""
"4124879","90.538","0.007","27.809","0.002","48.343","0.003","90","","119.129","0.003","90","","106323","13","180","2","180","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C399 H382.5 Cd8 F48 N63.5 O72 S16 -","- C395.1 H373.5 Cd8 F36.3 N63.5 O60.3 S12.1 -","- C3160.8 H2988 Cd64 F290.4 N508 O482.4 S96.8 -","8","1","","Mosquera, Jesús; Ronson, Tanya K.; Nitschke, Jonathan R.","Subcomponent Flexibility Enables Conversion between D4-Symmetric Cd(II)8L8 and T-Symmetric Cd(II)4L4 Assemblies.","Journal of the American Chemical Society","2016","138","6","1812","1815","10.1021/jacs.5b12955","","","1.54178","CuKα","","0.146","0.1192","","","0.3429","0.3588","","","","","","1.372","","","","has coordinates,has disorder","177405","2020-10-21","18:00:00",""
"4124880","27.046","0.0005","27.046","0.0005","37.5383","0.0009","90","","90","","120","","23780","0.8","180","2","180","2","","","","","","","","7","P 63","P 6c","173","","","","- C190 H177 F24 N27 O36 S8 Zn4 -","- C189 H177 F20.9998 N27 O32.9999 S6.99995 Zn4 -","- C756 H707.999 F83.9994 N108 O131.999 S27.9998 Zn16 -","4","0.666667","","Mosquera, Jesús; Ronson, Tanya K.; Nitschke, Jonathan R.","Subcomponent Flexibility Enables Conversion between D4-Symmetric Cd(II)8L8 and T-Symmetric Cd(II)4L4 Assemblies.","Journal of the American Chemical Society","2016","138","6","1812","1815","10.1021/jacs.5b12955","","","1.54178","CuKα","","0.085","0.0617","","","0.1598","0.1711","","","","","","1.039","","","","has coordinates,has disorder","177405","2020-10-21","18:00:00",""
"4124881","15.285","0.005","17.908","0.005","8.083","0.002","90","","90","","90","","2212.5","1.1","296","2","296","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C23 H27 F3 N O P -","- C23 H27 F3 N O P -","- C92 H108 F12 N4 O4 P4 -","4","1","","Yang, Youqing; Qiu, Xiaodong; Zhao, Yue; Mu, Yucheng; Shi, Zhuangzhi","Palladium-Catalyzed C-H Arylation of Indoles at the C7 Position.","Journal of the American Chemical Society","2016","138","2","495","498","10.1021/jacs.5b11569","","","0.71073","MoKα","","0.0566","0.0507","","","0.1439","0.1565","","","","","","1.097","","","","has coordinates","175680","2020-10-21","18:00:00",""
"4124882","17.5398","0.0013","14.2278","0.001","12.7212","0.001","90","","93.043","0.002","90","","3170.1","0.4","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H24 N O P -","- C16 H24 N O P -","- C128 H192 N8 O8 P8 -","8","2","","Yang, Youqing; Qiu, Xiaodong; Zhao, Yue; Mu, Yucheng; Shi, Zhuangzhi","Palladium-Catalyzed C-H Arylation of Indoles at the C7 Position.","Journal of the American Chemical Society","2016","138","2","495","498","10.1021/jacs.5b11569","","","0.71073","MoKα","","0.1074","0.092","","","0.1987","0.2053","","","","","","1.107","","","","has coordinates,has disorder","175681","2020-10-21","18:00:00",""
"4124883","12.662","0.008","16.276","0.011","19.793","0.013","90","","101.671","0.011","90","","3995","5","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H28 N O P -","- C22 H28 N O P -","- C176 H224 N8 O8 P8 -","8","2","","Yang, Youqing; Qiu, Xiaodong; Zhao, Yue; Mu, Yucheng; Shi, Zhuangzhi","Palladium-Catalyzed C-H Arylation of Indoles at the C7 Position.","Journal of the American Chemical Society","2016","138","2","495","498","10.1021/jacs.5b11569","","","0.71073","MoKα","","0.1292","0.0879","","","0.1851","0.2103","","","","","","1.111","","","","has coordinates","175682","2020-10-21","18:00:00",""
"4124884","7.771","0.004","19.1","0.01","14.003","0.007","90","","102.865","0.009","90","","2026.2","1.8","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C22 H27 F N O P -","- C22 H27 F N O P -","- C88 H108 F4 N4 O4 P4 -","4","1","","Yang, Youqing; Qiu, Xiaodong; Zhao, Yue; Mu, Yucheng; Shi, Zhuangzhi","Palladium-Catalyzed C-H Arylation of Indoles at the C7 Position.","Journal of the American Chemical Society","2016","138","2","495","498","10.1021/jacs.5b11569","","","0.71073","MoKα","","0.0743","0.0571","","","0.1531","0.168","","","","","","1.052","","","","has coordinates","175683","2020-10-21","18:00:00",""
"4124885","13.9522","0.0013","7.8417","0.0007","11.3721","0.001","90","","110.787","0.003","90","","1163.22","0.18","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H16 N O P -","- C12 H16 N O P -","- C48 H64 N4 O4 P4 -","4","1","","Yang, Youqing; Qiu, Xiaodong; Zhao, Yue; Mu, Yucheng; Shi, Zhuangzhi","Palladium-Catalyzed C-H Arylation of Indoles at the C7 Position.","Journal of the American Chemical Society","2016","138","2","495","498","10.1021/jacs.5b11569","","","0.71073","MoKα","","0.0634","0.0601","","","0.1905","0.1943","","","","","","0.829","","","","has coordinates","175684","2020-10-21","18:00:00",""
"4124886","8.3302","0.0013","9.3214","0.0014","16.577","0.003","76.866","0.002","76.336","0.003","67.324","0.002","1140.7","0.3","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H30 N O3 P -","- C24 H30 N O3 P -","- C48 H60 N2 O6 P2 -","2","1","","Yang, Youqing; Qiu, Xiaodong; Zhao, Yue; Mu, Yucheng; Shi, Zhuangzhi","Palladium-Catalyzed C-H Arylation of Indoles at the C7 Position.","Journal of the American Chemical Society","2016","138","2","495","498","10.1021/jacs.5b11569","","","0.71073","MoKα","","0.0732","0.0581","","","0.1733","0.1853","","","","","","1.096","","","","has coordinates","175685","2020-10-21","18:00:00",""
"4124887","21.8742","0.0004","23.4736","0.0005","9.0278","0.0002","90","","90","","90","","4635.47","0.17","100","2","100","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C35 H65 N9 O9 Si -","- C35 H65 N9 O9 Si -","- C140 H260 N36 O36 Si4 -","4","1","","Jones, Jennifer E.; Diemer, Vincent; Adam, Catherine; Raftery, James; Ruscoe, Rebecca E.; Sengel, Jason T.; Wallace, Mark I.; Bader, Antoine; Cockroft, Scott L.; Clayden, Jonathan; Webb, Simon J.","Length-Dependent Formation of Transmembrane Pores by 310-Helical α-Aminoisobutyric Acid Foldamers.","Journal of the American Chemical Society","2016","138","2","688","695","10.1021/jacs.5b12057","","","1.54178","CuKα","","0.0424","0.0399","","","0.1082","0.1103","","","","","","1.024","","","","has coordinates,has disorder","175686","2020-10-21","18:00:00",""
"4124888","9.3622","0.0003","16.3312","0.0004","17.9089","0.0006","88.577","0.002","75.902","0.002","73.812","0.002","2547.7","0.14","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C39 H71 N11 O9 Si -","- C39 H71 N11 O9 Si -","- C78 H142 N22 O18 Si2 -","2","1","","Jones, Jennifer E.; Diemer, Vincent; Adam, Catherine; Raftery, James; Ruscoe, Rebecca E.; Sengel, Jason T.; Wallace, Mark I.; Bader, Antoine; Cockroft, Scott L.; Clayden, Jonathan; Webb, Simon J.","Length-Dependent Formation of Transmembrane Pores by 310-Helical α-Aminoisobutyric Acid Foldamers.","Journal of the American Chemical Society","2016","138","2","688","695","10.1021/jacs.5b12057","","","1.54178","CuKα","","0.1002","0.0801","","","0.2198","0.2372","","","","","","1.043","","","","has coordinates","175686","2020-10-21","18:00:00",""
"4124889","39.3342","0.0012","18.0326","0.0005","73.883","0.002","90","","96.068","0.002","90","","52111","3","100","2","100","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C49 H89 N13 O12 Si -","- C49 H89 N13 O12 Si -","- C1568 H2848 N416 O384 Si32 -","32","8","","Jones, Jennifer E.; Diemer, Vincent; Adam, Catherine; Raftery, James; Ruscoe, Rebecca E.; Sengel, Jason T.; Wallace, Mark I.; Bader, Antoine; Cockroft, Scott L.; Clayden, Jonathan; Webb, Simon J.","Length-Dependent Formation of Transmembrane Pores by 310-Helical α-Aminoisobutyric Acid Foldamers.","Journal of the American Chemical Society","2016","138","2","688","695","10.1021/jacs.5b12057","","","1.54178","CuKα","","0.0963","0.0801","","","0.22","0.2401","","","","","","1.032","","","","has coordinates,has disorder","175686","2020-10-21","18:00:00",""
"4124890","8.495","0.005","9.151","0.005","13.099","0.007","94.05","0.006","90.403","0.006","90.57","0.006","1015.7","1","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H3 F20 I O2 -","- C16 H3 F20 I O2 -","- C32 H6 F40 I2 O4 -","2","1","","Imada, Yasuyuki; Nakano, Hideyuki; Furukawa, Ko; Kishi, Ryohei; Nakano, Masayoshi; Maruyama, Hitoshi; Nakamoto, Masaaki; Sekiguchi, Akira; Ogawa, Masahiro; Ohta, Toshiaki; Yamamoto, Yohsuke","Isolation of Hypervalent Group-16 Radicals and Their Application in Organic-Radical Batteries.","Journal of the American Chemical Society","2016","138","2","479","482","10.1021/jacs.5b10774","","","0.71073","MoKα","","0.0858","0.0728","","","0.2446","0.2954","","","","","","1.236","","","","has coordinates","175687","2020-10-21","18:00:00",""
"4124891","11.9982","0.001","15.44","0.0013","15.5724","0.0014","90","","90","","90","","2884.8","0.4","173","2","173","2","","","","","","","","6","C 2 2 21","C 2c 2","20","","","","- C24 H23 F20 N O2 S -","- C24 H23 F20 N O2 S -","- C96 H92 F80 N4 O8 S4 -","4","0.5","","Imada, Yasuyuki; Nakano, Hideyuki; Furukawa, Ko; Kishi, Ryohei; Nakano, Masayoshi; Maruyama, Hitoshi; Nakamoto, Masaaki; Sekiguchi, Akira; Ogawa, Masahiro; Ohta, Toshiaki; Yamamoto, Yohsuke","Isolation of Hypervalent Group-16 Radicals and Their Application in Organic-Radical Batteries.","Journal of the American Chemical Society","2016","138","2","479","482","10.1021/jacs.5b10774","","","0.71075","MoKα","","0.0307","0.0291","","","0.0738","0.0751","","","","","","1.06","","","","has coordinates","175687","2020-10-21","18:00:00",""
"4124892","11.4151","0.0011","14.6893","0.0014","16.2421","0.0016","70.277","0.001","78.78","0.001","73.648","0.001","2445","0.4","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C16 H11 F20 Li O6 S -","- C16 H3 F20 Li O6 S -","- C64 H12 F80 Li4 O24 S4 -","4","2","","Imada, Yasuyuki; Nakano, Hideyuki; Furukawa, Ko; Kishi, Ryohei; Nakano, Masayoshi; Maruyama, Hitoshi; Nakamoto, Masaaki; Sekiguchi, Akira; Ogawa, Masahiro; Ohta, Toshiaki; Yamamoto, Yohsuke","Isolation of Hypervalent Group-16 Radicals and Their Application in Organic-Radical Batteries.","Journal of the American Chemical Society","2016","138","2","479","482","10.1021/jacs.5b10774","","","0.71073","MoKα","","0.0508","0.0425","","","0.1151","0.1228","","","","","","1.024","","","","has coordinates","175687","2020-10-21","18:00:00",""
"4124893","11.6841","0.0008","15.377","0.001","17.5469","0.0012","90","","109.009","0.002","90","","2980.7","0.3","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C24 H23 F20 N O2 Se -","- C24 H23 F20 N O2 Se -","- C96 H92 F80 N4 O8 Se4 -","4","1","","Imada, Yasuyuki; Nakano, Hideyuki; Furukawa, Ko; Kishi, Ryohei; Nakano, Masayoshi; Maruyama, Hitoshi; Nakamoto, Masaaki; Sekiguchi, Akira; Ogawa, Masahiro; Ohta, Toshiaki; Yamamoto, Yohsuke","Isolation of Hypervalent Group-16 Radicals and Their Application in Organic-Radical Batteries.","Journal of the American Chemical Society","2016","138","2","479","482","10.1021/jacs.5b10774","","","0.71075","MoKα","","0.063","0.043","","","0.0963","0.1062","","","","","","1.034","","","","has coordinates","175687","2020-10-21","18:00:00",""
"4124894","11.526","0.002","16.241","0.003","18.58","0.003","88.205","0.002","80.618","0.002","70.946","0.002","3242.6","1","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C24 H23 F20 Li O6 Se -","- C24 H19 F20 Li O6 Se -","- C96 H76 F80 Li4 O24 Se4 -","4","2","","Imada, Yasuyuki; Nakano, Hideyuki; Furukawa, Ko; Kishi, Ryohei; Nakano, Masayoshi; Maruyama, Hitoshi; Nakamoto, Masaaki; Sekiguchi, Akira; Ogawa, Masahiro; Ohta, Toshiaki; Yamamoto, Yohsuke","Isolation of Hypervalent Group-16 Radicals and Their Application in Organic-Radical Batteries.","Journal of the American Chemical Society","2016","138","2","479","482","10.1021/jacs.5b10774","","","0.71073","MoKα","","0.0584","0.0498","","","0.1364","0.1422","","","","","","1.02","","","","has coordinates,has disorder","175687","2020-10-21","18:00:00",""
"4124895","11.8746","0.0008","11.499","0.0008","15.7717","0.0011","90","","104.091","0.002","90","","2088.8","0.2","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C16 H3 F20 O2 S -","- C16 H3 F20 O2 S -","- C64 H12 F80 O8 S4 -","4","1","","Imada, Yasuyuki; Nakano, Hideyuki; Furukawa, Ko; Kishi, Ryohei; Nakano, Masayoshi; Maruyama, Hitoshi; Nakamoto, Masaaki; Sekiguchi, Akira; Ogawa, Masahiro; Ohta, Toshiaki; Yamamoto, Yohsuke","Isolation of Hypervalent Group-16 Radicals and Their Application in Organic-Radical Batteries.","Journal of the American Chemical Society","2016","138","2","479","482","10.1021/jacs.5b10774","","","0.71075","MoKα","","0.087","0.0699","","","0.1755","0.1883","","","","","","1.041","","","","has coordinates,has disorder","175687","2020-10-21","18:00:00",""
"4124896","11.7263","0.001","11.8526","0.001","15.8755","0.0013","90","","105.809","0.001","90","","2123","0.3","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C16 H3 F20 O2 Se -","- C16 H3 F20 O2 Se -","- C64 H12 F80 O8 Se4 -","4","2","","Imada, Yasuyuki; Nakano, Hideyuki; Furukawa, Ko; Kishi, Ryohei; Nakano, Masayoshi; Maruyama, Hitoshi; Nakamoto, Masaaki; Sekiguchi, Akira; Ogawa, Masahiro; Ohta, Toshiaki; Yamamoto, Yohsuke","Isolation of Hypervalent Group-16 Radicals and Their Application in Organic-Radical Batteries.","Journal of the American Chemical Society","2016","138","2","479","482","10.1021/jacs.5b10774","","","0.71073","MoKα","","0.0667","0.0617","","","0.1723","0.1776","","","","","","1.066","","","","has coordinates","175687","2020-10-21","18:00:00",""
"4124897","8.8629","0.0006","9.8568","0.0007","11.5901","0.0008","64.8401","0.0009","72.8123","0.0009","89.6362","0.001","867.15","0.1","150","2","150","2","","","","","","","","5","P -1","-P 1","2","Organic","Organic","","- C21 H17 Cl N2 O2 -","- C21 H17 Cl N2 O2 -","- C42 H34 Cl2 N4 O4 -","2","1","","Qiu, Huang; Srinivas, Harathi D.; Zavalij, Peter Y.; Doyle, Michael P.","Unprecedented Intramolecular [4 + 2]-Cycloaddition between a 1,3-Diene and a Diazo Ester.","Journal of the American Chemical Society","2016","138","6","1808","1811","10.1021/jacs.5b12877","","","0.71073","MoKα","","0.039","0.0347","","","0.071","0.0728","","","","","","1","","","","has coordinates","177403","2020-10-21","18:00:00",""
"4124898","37.08","0.002","5.9219","0.0004","16.7844","0.0011","90","","98.6252","0.001","90","","3643.9","0.4","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Br-compound","","- C21 H17 Br N2 O2 -","- C21 H17 Br N2 O2 -","- C168 H136 Br8 N16 O16 -","8","1","","Qiu, Huang; Srinivas, Harathi D.; Zavalij, Peter Y.; Doyle, Michael P.","Unprecedented Intramolecular [4 + 2]-Cycloaddition between a 1,3-Diene and a Diazo Ester.","Journal of the American Chemical Society","2016","138","6","1808","1811","10.1021/jacs.5b12877","","","0.71073","MoKα","","0.0469","0.0399","","","0.0945","0.0979","","","","","","1.063","","","","has coordinates,has disorder","177403","2020-10-21","18:00:00",""
"4124899","11.0904","0.0015","8.9712","0.0012","29.184","0.004","90","","99.062","0.003","90","","2867.4","0.7","98","","98","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C32 H26 Br Cl2 N3 O4 -","- C32 H26 Br Cl2 N3 O4 -","- C128 H104 Br4 Cl8 N12 O16 -","4","1","","Qiu, Huang; Srinivas, Harathi D.; Zavalij, Peter Y.; Doyle, Michael P.","Unprecedented Intramolecular [4 + 2]-Cycloaddition between a 1,3-Diene and a Diazo Ester.","Journal of the American Chemical Society","2016","138","6","1808","1811","10.1021/jacs.5b12877","","","0.71075","MoKα","","0.0421","0.0369","","","0.0907","0.0946","","","","","","1.095","","","","has coordinates","177403","2020-10-21","18:00:00",""
"4124900","5.171","0.0002","17.976","0.0006","24.5859","0.0009","90","","90","","90","","2285.36","0.14","100","2","100","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C23.5 H27 F6 N O2 -","- C23.5 H27 F6 N O2 -","- C94 H108 F24 N4 O8 -","4","1","","Zuo, Zhiwei; Cong, Huan; Li, Wei; Choi, Junwon; Fu, Gregory C.; MacMillan, David W. C.","Enantioselective Decarboxylative Arylation of α-Amino Acids via the Merger of Photoredox and Nickel Catalysis.","Journal of the American Chemical Society","2016","138","6","1832","1835","10.1021/jacs.5b13211","","","1.54178","CuKα","","0.0528","0.046","","","0.1056","0.1094","","","","","","1.047","","","","has coordinates,has disorder","177402","2020-10-21","18:00:00",""
"4124901","24.958","0.003","8.872","0.0013","16.619","0.002","90","","98.044","0.016","90","","3643.7","0.8","100","2","100.15","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C28 H38 B2 Fe N8 O6 -","- C28 H38 B2 Fe N8 O6 -","- C112 H152 B8 Fe4 N32 O24 -","4","0.5","","Jansze, Suzanne M.; Cecot, Giacomo; Wise, Matthew D.; Zhurov, Konstantin O.; Ronson, Tanya K.; Castilla, Ana M.; Finelli, Alba; Pattison, Philip; Solari, Euro; Scopelliti, Rosario; Zelinskii, Genrikh E.; Vologzhanina, Anna V.; Voloshin, Yan Z.; Nitschke, Jonathan R.; Severin, Kay","Ligand Aspect Ratio as a Decisive Factor for the Self-Assembly of Coordination Cages.","Journal of the American Chemical Society","2016","138","6","2046","2054","10.1021/jacs.5b13190","","","0.71073","MoKα","","0.1048","0.0929","","","0.215","0.2207","","","","","","1.096","","","","has coordinates,has disorder","177401","2020-10-21","18:00:00",""
"4124902","23.5385","0.0004","24.5623","0.0005","29.7285","0.0005","86.548","0.001","83.135","0.001","66.14","0.002","15604.9","0.5","120","2","120","2","","","","","","","","8","P -1","-P 1","2","","","","- C140 H141 B24 F32 Fe8 N68 O52.5 Pd4 -","- C140 H140 B22.5 F26 Fe8 N68 O52.5 Pd4 -","- C280 H280 B45 F52 Fe16 N136 O105 Pd8 -","2","1","","Jansze, Suzanne M.; Cecot, Giacomo; Wise, Matthew D.; Zhurov, Konstantin O.; Ronson, Tanya K.; Castilla, Ana M.; Finelli, Alba; Pattison, Philip; Solari, Euro; Scopelliti, Rosario; Zelinskii, Genrikh E.; Vologzhanina, Anna V.; Voloshin, Yan Z.; Nitschke, Jonathan R.; Severin, Kay","Ligand Aspect Ratio as a Decisive Factor for the Self-Assembly of Coordination Cages.","Journal of the American Chemical Society","2016","138","6","2046","2054","10.1021/jacs.5b13190","","x-ray","0.6948","synchrotron","","0.1585","0.1308","","","0.3475","0.3727","","","","","","1.037","","","","has coordinates,has disorder","177401","2020-10-21","18:00:00",""
"4124903","40.4082","0.0007","31.9967","0.0004","48.1377","0.001","90","","112.142","0.003","90","","57649","2","100","2","100","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C352 H480 B32 F32 Fe12 N104 O72 Pd6 -","- C352 H480 B32 F32 Fe12 N104 O72 Pd6 -","- C1408 H1920 B128 F128 Fe48 N416 O288 Pd24 -","4","0.5","","Jansze, Suzanne M.; Cecot, Giacomo; Wise, Matthew D.; Zhurov, Konstantin O.; Ronson, Tanya K.; Castilla, Ana M.; Finelli, Alba; Pattison, Philip; Solari, Euro; Scopelliti, Rosario; Zelinskii, Genrikh E.; Vologzhanina, Anna V.; Voloshin, Yan Z.; Nitschke, Jonathan R.; Severin, Kay","Ligand Aspect Ratio as a Decisive Factor for the Self-Assembly of Coordination Cages.","Journal of the American Chemical Society","2016","138","6","2046","2054","10.1021/jacs.5b13190","","","0.69561","synchrotron","","0.0928","0.0808","","","0.2266","0.2411","","","","","","1.049","","","","has coordinates","177401","2020-10-21","18:00:00",""
"4124904","23.908","0.005","8.0758","0.0016","16.326","0.003","90","","122.21","0.03","90","","2667","1.3","120","2","120.15","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C24 H26 B2 Fe N8 O8 -","- C24 H26 B2 Fe N8 O8 -","- C96 H104 B8 Fe4 N32 O32 -","4","0.5","","Jansze, Suzanne M.; Cecot, Giacomo; Wise, Matthew D.; Zhurov, Konstantin O.; Ronson, Tanya K.; Castilla, Ana M.; Finelli, Alba; Pattison, Philip; Solari, Euro; Scopelliti, Rosario; Zelinskii, Genrikh E.; Vologzhanina, Anna V.; Voloshin, Yan Z.; Nitschke, Jonathan R.; Severin, Kay","Ligand Aspect Ratio as a Decisive Factor for the Self-Assembly of Coordination Cages.","Journal of the American Chemical Society","2016","138","6","2046","2054","10.1021/jacs.5b13190","","","0.71073","MoKα","","0.0818","0.0523","","","0.1037","0.1177","","","","","","1.163","","","","has coordinates,has disorder","177401","2020-10-21","18:00:00",""
"4124905","28.113","0.001","28.7242","0.0011","29.266","0.0011","96.234","0.003","114.116","0.004","110.958","0.003","19222.6","1.6","120","2","120","2","","","","","","","","8","P -1","-P 1","2","","","","- C244 H244 B12 F48 Fe10 N69 O70.5 S16 -","- C240.6 H244 B12 F37.8 Fe10 N67.3 O63.7 S12.6 -","- C481.2 H488 B24 F75.6 Fe20 N134.6 O127.4 S25.2 -","2","1","","Jansze, Suzanne M.; Cecot, Giacomo; Wise, Matthew D.; Zhurov, Konstantin O.; Ronson, Tanya K.; Castilla, Ana M.; Finelli, Alba; Pattison, Philip; Solari, Euro; Scopelliti, Rosario; Zelinskii, Genrikh E.; Vologzhanina, Anna V.; Voloshin, Yan Z.; Nitschke, Jonathan R.; Severin, Kay","Ligand Aspect Ratio as a Decisive Factor for the Self-Assembly of Coordination Cages.","Journal of the American Chemical Society","2016","138","6","2046","2054","10.1021/jacs.5b13190","","x-ray","0.6948","synchrotron","","0.1215","0.1097","","","0.2987","0.3078","","","","","","1.139","","","","has coordinates,has disorder","177401","2020-10-21","18:00:00",""
"4124906","6.6568","0.0009","12.4735","0.0019","13.0553","0.0018","61.706","0.003","85.502","0.003","75.77","0.003","924.3","0.2","120","","120","","","","","","","","","6","P -1","-P 1","2","","","","- C16 H14 B2 Fe N8 O6 -","- C16 H14 B2 Fe N8 O6 -","- C32 H28 B4 Fe2 N16 O12 -","2","1","","Jansze, Suzanne M.; Cecot, Giacomo; Wise, Matthew D.; Zhurov, Konstantin O.; Ronson, Tanya K.; Castilla, Ana M.; Finelli, Alba; Pattison, Philip; Solari, Euro; Scopelliti, Rosario; Zelinskii, Genrikh E.; Vologzhanina, Anna V.; Voloshin, Yan Z.; Nitschke, Jonathan R.; Severin, Kay","Ligand Aspect Ratio as a Decisive Factor for the Self-Assembly of Coordination Cages.","Journal of the American Chemical Society","2016","138","6","2046","2054","10.1021/jacs.5b13190","","","0.71073","MoKα","","0.0468","0.0371","","","0.0924","0.0978","","","","","","1.025","","","","has coordinates","177401","2020-10-21","18:00:00",""
"4124907","28.0944","0.0009","28.0944","0.0009","184.156","0.007","90","","90","","120","","125880","7","135","2","135","2","","","","","","","","8","R 3 c :H","R 3 -2""c","161","","","","- C270 H288 B12 F48 Fe10 N60 O42 Sb8 -","- C270 H288 B12 F34.8 Fe10 N60 O42 Sb6 -","- C3240 H3456 B144 F417.6 Fe120 N720 O504 Sb72 -","12","0.666667","","Jansze, Suzanne M.; Cecot, Giacomo; Wise, Matthew D.; Zhurov, Konstantin O.; Ronson, Tanya K.; Castilla, Ana M.; Finelli, Alba; Pattison, Philip; Solari, Euro; Scopelliti, Rosario; Zelinskii, Genrikh E.; Vologzhanina, Anna V.; Voloshin, Yan Z.; Nitschke, Jonathan R.; Severin, Kay","Ligand Aspect Ratio as a Decisive Factor for the Self-Assembly of Coordination Cages.","Journal of the American Chemical Society","2016","138","6","2046","2054","10.1021/jacs.5b13190","","","1.54178","CuKα","","0.1191","0.1044","","","0.2693","0.2811","","","","","","1.05","","","","has coordinates,has disorder","177401","2020-10-21","18:00:00",""
"4124908","9.51433","0.00007","30.7713","0.0003","14.62555","0.00016","90","","91.4555","0.0007","90","","4280.52","0.07","100","2","100","2","","","","","","","","7","P 1 n 1","P -2yac","7","","","","- C32 H46 B2 Cl2 Fe N8 O8 -","- C32 H46 B2 Cl2 Fe N8 O8 -","- C128 H184 B8 Cl8 Fe4 N32 O32 -","4","2","","Jansze, Suzanne M.; Cecot, Giacomo; Wise, Matthew D.; Zhurov, Konstantin O.; Ronson, Tanya K.; Castilla, Ana M.; Finelli, Alba; Pattison, Philip; Solari, Euro; Scopelliti, Rosario; Zelinskii, Genrikh E.; Vologzhanina, Anna V.; Voloshin, Yan Z.; Nitschke, Jonathan R.; Severin, Kay","Ligand Aspect Ratio as a Decisive Factor for the Self-Assembly of Coordination Cages.","Journal of the American Chemical Society","2016","138","6","2046","2054","10.1021/jacs.5b13190","","","0.715","synchrotron","","0.0547","0.0544","","","0.1484","0.149","","","","","","1.039","","","","has coordinates","177401","2020-10-21","18:00:00",""
"4124909","14.61747","0.00011","12.39563","0.00013","20.8854","0.0002","90","","90.6913","0.0008","90","","3784.01","0.06","100","2","100","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C26.5 H42 B2 Cl2 Fe N8 O8.5 -","- C26.5 H42 B2 Cl2 Fe N8 O8.5 -","- C106 H168 B8 Cl8 Fe4 N32 O34 -","4","2","","Jansze, Suzanne M.; Cecot, Giacomo; Wise, Matthew D.; Zhurov, Konstantin O.; Ronson, Tanya K.; Castilla, Ana M.; Finelli, Alba; Pattison, Philip; Solari, Euro; Scopelliti, Rosario; Zelinskii, Genrikh E.; Vologzhanina, Anna V.; Voloshin, Yan Z.; Nitschke, Jonathan R.; Severin, Kay","Ligand Aspect Ratio as a Decisive Factor for the Self-Assembly of Coordination Cages.","Journal of the American Chemical Society","2016","138","6","2046","2054","10.1021/jacs.5b13190","","","0.715","synchrotron","","0.056","0.0558","","","0.1436","0.1439","","","","","","1.064","","","","has coordinates","177401","2020-10-21","18:00:00",""
"4124910","11.958","0.002","9.5891","0.0016","14.538","0.003","90","","92.944","0.005","90","","1664.8","0.5","200","","200","","","","","","","","","2","P 1 21 1","P 2yb","4","","","","- C26 H16 -","- C26 H16 -","- C104 H64 -","4","2","","Uchida, Kazuyuki; Ito, Soichi; Nakano, Masayoshi; Abe, Manabu; Kubo, Takashi","Biphenalenylidene: Isolation and Characterization of the Reactive Intermediate on the Decomposition Pathway of Phenalenyl Radical.","Journal of the American Chemical Society","2016","138","7","2399","2410","10.1021/jacs.5b13033","","","0.71075","MoKα","","0.1298","0.0535","","","0.1602","0.2083","","","","","","0.887","","","","has coordinates,has disorder","177397","2020-10-21","18:00:00",""
"4124911","8.87","0.0007","9.1094","0.0008","12.6095","0.001","104.489","0.003","90.358","0.003","111.767","0.003","910.54","0.13","296","2","296.15","","","","","","","","","5","P -1","-P 1","2","","","","- C16 H15 Cl4 N O4 -","- C16 H15 Cl4 N O4 -","- C32 H30 Cl8 N2 O8 -","2","1","","Cornella, Josep; Edwards, Jacob T.; Qin, Tian; Kawamura, Shuhei; Wang, Jie; Pan, Chung-Mao; Gianatassio, Ryan; Schmidt, Michael; Eastgate, Martin D.; Baran, Phil S.","Practical Ni-Catalyzed Aryl-Alkyl Cross-Coupling of Secondary Redox-Active Esters.","Journal of the American Chemical Society","2016","138","7","2174","2177","10.1021/jacs.6b00250","","x-ray","0.71073","MoKα","","0.0755","0.0544","","","0.1273","0.14","","","","","","1.035","","","","has coordinates","177398","2020-10-21","18:00:00",""
"4124912","22.866","0.003","25.495","0.003","35.966","0.004","88.15","0.005","84.817","0.005","66.58","0.005","19161","4","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C134 H108 F42 N35 O32 Re S14 Zn4 -","- C124 H108 F12 N30 O12 Re S4 Zn4 -","- C496 H432 F48 N120 O48 Re4 S16 Zn16 -","4","2","","Castilla, Ana M.; Ronson, Tanya K.; Nitschke, Jonathan R.","Sequence-Dependent Guest Release Triggered by Orthogonal Chemical Signals.","Journal of the American Chemical Society","2016","138","7","2342","2351","10.1021/jacs.5b13016","","","0.6889","synchrotron","","0.101","0.0793","","","0.2283","0.247","","","","","","1.042","","","","has coordinates,has disorder","177396","2020-10-21","18:00:00",""
"4124913","24.768","0.005","30.452","0.006","33.974","0.007","79.78","0.03","85.57","0.03","86.58","0.03","25115","9","180","2","180","2","","","","","","","","7","P -1","-P 1","2","","","","- C200 H150 F48 N34 O32 S16 Zn4 -","- C197.5 H150 F40.25 N33 O27.75 S13.75 Zn4 -","- C790 H600 F161 N132 O111 S55 Zn16 -","4","2","","Castilla, Ana M.; Ronson, Tanya K.; Nitschke, Jonathan R.","Sequence-Dependent Guest Release Triggered by Orthogonal Chemical Signals.","Journal of the American Chemical Society","2016","138","7","2342","2351","10.1021/jacs.5b13016","","","0.71073","MoKα","","0.1576","0.1183","","","0.3162","0.344","","","","","","1.162","","","","has coordinates,has disorder","177396","2020-10-21","18:00:00",""
"4124914","32.4651","0.0017","31.6257","0.0014","23.6124","0.0011","90","","117.268","0.002","90","","21549.5","1.8","180","2","180","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C136 H108 F48 N36 O32 S16 Zn4 -","- C124 H108 F12 N30 O8 S4 Zn4 -","- C496 H432 F48 N120 O32 S16 Zn16 -","4","0.5","","Castilla, Ana M.; Ronson, Tanya K.; Nitschke, Jonathan R.","Sequence-Dependent Guest Release Triggered by Orthogonal Chemical Signals.","Journal of the American Chemical Society","2016","138","7","2342","2351","10.1021/jacs.5b13016","","","1.54178","CuKα","","0.1398","0.1185","","","0.3286","0.3474","","","","","","1.022","","","","has coordinates","177396","2020-10-21","18:00:00",""
"4124915","15.4542","0.0013","11.4011","0.0011","16.302","0.0014","90","","100.951","0.006","90","","2820","0.4","120","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C27 H37 I O4 Si -","- C27 H37 I O4 Si -","- C108 H148 I4 O16 Si4 -","4","1","","Hari, Durga Prasad; Waser, Jerome","Copper-Catalyzed Oxy-Alkynylation of Diazo Compounds with Hypervalent Iodine Reagents.","Journal of the American Chemical Society","2016","138","7","2190","2193","10.1021/jacs.6b00278","","","0.71073","MoKα","","0.0655","0.0367","","","0.0616","0.0729","","","","","","1.144","","","","has coordinates,has disorder","177399","2020-10-21","18:00:00",""
"4124916","10.31","0.0018","7.0317","0.0013","10.73","0.002","90","","117.339","0.003","90","","691","0.2","293","2","293","2","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","","","- C15 H18 N2 O2 -","- C15 H18 N2 O2 -","- C30 H36 N4 O4 -","2","0.5","","Kong, Wei-Jun; Liu, Yue-Jin; Xu, Hui; Chen, Yan-Qiao; Dai, Hui-Xiong; Yu, Jin-Quan","Pd-Catalyzed α-Selective C-H Functionalization of Olefins: En Route to 4-Imino-β-Lactams.","Journal of the American Chemical Society","2016","138","7","2146","2149","10.1021/jacs.5b13353","","","0.71073","MoKα","","0.062","0.0538","","","0.1389","0.1488","","","","","","1.048","","","","has coordinates","177395","2020-10-21","18:00:00",""
"4124917","10.6579","0.0019","18.645","0.003","7.3052","0.0012","90","","93.729","0.005","90","","1448.6","0.4","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H18 N2 O2 -","- C15 H18 N2 O2 -","- C60 H72 N8 O8 -","4","1","","Kong, Wei-Jun; Liu, Yue-Jin; Xu, Hui; Chen, Yan-Qiao; Dai, Hui-Xiong; Yu, Jin-Quan","Pd-Catalyzed α-Selective C-H Functionalization of Olefins: En Route to 4-Imino-β-Lactams.","Journal of the American Chemical Society","2016","138","7","2146","2149","10.1021/jacs.5b13353","","","0.71073","MoKα","","0.1223","0.0679","","","0.1545","0.1831","","","","","","1.037","","","","has coordinates","177395","2020-10-21","18:00:00",""
"4124918","7.237","0.003","11.544","0.005","16.87","0.008","90","","94.546","0.009","90","","1405","1.1","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C15 H18 N2 O2 -","- C15 H18 N2 O2 -","- C60 H72 N8 O8 -","4","1","","Kong, Wei-Jun; Liu, Yue-Jin; Xu, Hui; Chen, Yan-Qiao; Dai, Hui-Xiong; Yu, Jin-Quan","Pd-Catalyzed α-Selective C-H Functionalization of Olefins: En Route to 4-Imino-β-Lactams.","Journal of the American Chemical Society","2016","138","7","2146","2149","10.1021/jacs.5b13353","","","0.71073","MoKα","","0.1289","0.1073","","","0.2936","0.3171","","","","","","1.089","","","","has coordinates","177395","2020-10-21","18:00:00",""
"4124919","9.2394","0.0019","15.092","0.003","16.25","0.003","90","","97.337","0.004","90","","2247.4","0.8","130","2","130","2","","","","","","","","9","P 1 21 1","P 2yb","4","","","","- C35 H51 Cl2 F6 Fe N5 O6 S2 Si -","- C35 H51 Cl2 F6 Fe N5 O6 S2 Si -","- C70 H102 Cl4 F12 Fe2 N10 O12 S4 Si2 -","2","1","","Cussó, Olaf; Cianfanelli, Marco; Ribas, Xavi; Klein Gebbink, Robertus J. M.; Costas, Miquel","Iron Catalyzed Highly Enantioselective Epoxidation of Cyclic Aliphatic Enones with Aqueous H2O2.","Journal of the American Chemical Society","2016","138","8","2732","2738","10.1021/jacs.5b12681","","","0.71073","MoKα","","0.1194","0.0596","","","0.1178","0.1367","","","","","","1.006","","","","has coordinates","177409","2020-10-21","18:00:00",""
"4124920","40.347","0.003","14.3228","0.0011","33.253","0.002","90","","102.448","0.002","90","","18765","2","150","2","150","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C72 H142 Br3 Dy0.05 O9 P4 Y0.95 -","- C72 H142 Br3 Dy0.05 O9 P4 Y0.95 -","- C576 H1136 Br24 Dy0.4 O72 P32 Y7.6 -","8","1","","Chen, Yan-Cong; Liu, Jun-Liang; Ungur, Liviu; Liu, Jiang; Li, Quan-Wen; Wang, Long-Fei; Ni, Zhao-Ping; Chibotaru, Liviu F.; Chen, Xiao-Ming; Tong, Ming-Liang","Symmetry-Supported Magnetic Blocking at 20 K in Pentagonal Bipyramidal Dy(III) Single-Ion Magnets.","Journal of the American Chemical Society","2016","138","8","2829","2837","10.1021/jacs.5b13584","","","0.71073","MoKα","","0.1187","0.0596","","","0.121","0.1457","","","","","","0.978","","","","has coordinates","177408","2020-10-21","18:00:00",""
"4124921","40.4082","0.0015","14.2356","0.0007","33.0134","0.0014","90","","102.663","0.001","90","","18528.5","1.4","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C72 H142 Br3 Dy O9 P4 -","- C72 H142 Br3 Dy O9 P4 -","- C576 H1136 Br24 Dy8 O72 P32 -","8","1","","Chen, Yan-Cong; Liu, Jun-Liang; Ungur, Liviu; Liu, Jiang; Li, Quan-Wen; Wang, Long-Fei; Ni, Zhao-Ping; Chibotaru, Liviu F.; Chen, Xiao-Ming; Tong, Ming-Liang","Symmetry-Supported Magnetic Blocking at 20 K in Pentagonal Bipyramidal Dy(III) Single-Ion Magnets.","Journal of the American Chemical Society","2016","138","8","2829","2837","10.1021/jacs.5b13584","","","0.71073","MoKα","","0.0755","0.0545","","","0.1265","0.1342","","","","","","1.064","","","","has coordinates","177408","2020-10-21","18:00:00",""
"4124922","11.7472","0.0005","29.5882","0.0011","19.4338","0.0008","90","","97.434","0.002","90","","6698","0.5","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C56 H117 Cl3 Dy O10 P3 -","- C56 H117 Cl3 Dy O10 P3 -","- C224 H468 Cl12 Dy4 O40 P12 -","4","1","","Chen, Yan-Cong; Liu, Jun-Liang; Ungur, Liviu; Liu, Jiang; Li, Quan-Wen; Wang, Long-Fei; Ni, Zhao-Ping; Chibotaru, Liviu F.; Chen, Xiao-Ming; Tong, Ming-Liang","Symmetry-Supported Magnetic Blocking at 20 K in Pentagonal Bipyramidal Dy(III) Single-Ion Magnets.","Journal of the American Chemical Society","2016","138","8","2829","2837","10.1021/jacs.5b13584","","","0.71073","MoKα","","0.1088","0.0605","","","0.1132","0.1324","","","","","","1.018","","","","has coordinates","177408","2020-10-21","18:00:00",""
"4124923","11.7525","0.0008","29.615","0.002","19.4336","0.0015","90","","97.389","0.002","90","","6707.7","0.8","150","2","150","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C56 H117 Cl3 Dy0.05 O10 P3 Y0.95 -","- C56 H117 Cl3 Dy0.05 O10 P3 Y0.95 -","- C224 H468 Cl12 Dy0.2 O40 P12 Y3.8 -","4","1","","Chen, Yan-Cong; Liu, Jun-Liang; Ungur, Liviu; Liu, Jiang; Li, Quan-Wen; Wang, Long-Fei; Ni, Zhao-Ping; Chibotaru, Liviu F.; Chen, Xiao-Ming; Tong, Ming-Liang","Symmetry-Supported Magnetic Blocking at 20 K in Pentagonal Bipyramidal Dy(III) Single-Ion Magnets.","Journal of the American Chemical Society","2016","138","8","2829","2837","10.1021/jacs.5b13584","","","0.71073","MoKα","","0.108","0.0569","","","0.1227","0.1476","","","","","","1.063","","","","has coordinates","177408","2020-10-21","18:00:00",""
"4124924","3.9984","0.0002","3.9984","0.0002","10.3696","0.0006","90","","90","","90","","165.781","0.015","293","2","293","2","","","","","","","","4","I 4/m m m","-I 4 2","139","","2014/7","","- As2 Ca0.9 Co1.906 Eu0.1 -","- As2 Ca0.901 Co1.906 Eu0.099 -","- As4 Ca1.802 Co3.812 Eu0.198 -","2","0.0625","","Tan, Xiaoyan; Fabbris, Gilberto; Haskel, Daniel; Yaroslavtsev, Alexander A.; Cao, Huibo; Thompson, Corey M.; Kovnir, Kirill; Menushenkov, Alexey P.; Chernikov, Roman V.; Garlea, V. Ovidiu; Shatruk, Michael","A Transition from Localized to Strongly Correlated Electron Behavior and Mixed Valence Driven by Physical or Chemical Pressure in ACo2As2 (A = Eu and Ca).","Journal of the American Chemical Society","2016","138","8","2724","2731","10.1021/jacs.5b12659","","","0.71073","MoKα","","0.026","0.0257","","","0.0578","0.058","","","","","","1.2","","","","has coordinates","177410","2020-10-21","18:00:00",""
"4124925","3.9927","0.0002","3.9927","0.0002","10.3133","0.0006","90","","90","","90","","164.411","0.015","293","2","293","2","","","","","","","","3","I 4/m m m","-I 4 2","139","","2014/7","","- As2 Ca Co1.87 -","- As2 Ca Co1.874 -","- As4 Ca2 Co3.748 -","2","0.0625","","Tan, Xiaoyan; Fabbris, Gilberto; Haskel, Daniel; Yaroslavtsev, Alexander A.; Cao, Huibo; Thompson, Corey M.; Kovnir, Kirill; Menushenkov, Alexey P.; Chernikov, Roman V.; Garlea, V. Ovidiu; Shatruk, Michael","A Transition from Localized to Strongly Correlated Electron Behavior and Mixed Valence Driven by Physical or Chemical Pressure in ACo2As2 (A = Eu and Ca).","Journal of the American Chemical Society","2016","138","8","2724","2731","10.1021/jacs.5b12659","","","0.71073","MoKα","","0.0204","0.02","","","0.0476","0.0477","","","","","","1.161","","","","has coordinates","177410","2020-10-21","18:00:00",""
"4124926","4.0018","0.0002","4.0018","0.0002","10.3726","0.0008","90","","90","","90","","166.111","0.017","293","2","293","2","","","","","","","","4","I 4/m m m","-I 4 2","139","","2014/7","","- As2 Ca0.845 Co1.888 La0.155 -","- As2 Ca0.845 Co1.888 La0.155 -","- As4 Ca1.69 Co3.776 La0.31 -","2","0.0625","","Tan, Xiaoyan; Fabbris, Gilberto; Haskel, Daniel; Yaroslavtsev, Alexander A.; Cao, Huibo; Thompson, Corey M.; Kovnir, Kirill; Menushenkov, Alexey P.; Chernikov, Roman V.; Garlea, V. Ovidiu; Shatruk, Michael","A Transition from Localized to Strongly Correlated Electron Behavior and Mixed Valence Driven by Physical or Chemical Pressure in ACo2As2 (A = Eu and Ca).","Journal of the American Chemical Society","2016","138","8","2724","2731","10.1021/jacs.5b12659","","","0.71073","MoKα","","0.0337","0.0256","","","0.0643","0.071","","","","","","1.188","","","","has coordinates","177410","2020-10-21","18:00:00",""
"4124927","3.929","0.0013","3.929","0.0013","11.512","0.004","90","","90","","90","","177.71","0.1","293","2","293","2","","","","","","","","3","I 4/m m m","-I 4 2","139","","2014/7","","- As2 Co2 Eu -","- As2 Co1.996 Eu -","- As4 Co3.992 Eu2 -","2","0.0625","","Tan, Xiaoyan; Fabbris, Gilberto; Haskel, Daniel; Yaroslavtsev, Alexander A.; Cao, Huibo; Thompson, Corey M.; Kovnir, Kirill; Menushenkov, Alexey P.; Chernikov, Roman V.; Garlea, V. Ovidiu; Shatruk, Michael","A Transition from Localized to Strongly Correlated Electron Behavior and Mixed Valence Driven by Physical or Chemical Pressure in ACo2As2 (A = Eu and Ca).","Journal of the American Chemical Society","2016","138","8","2724","2731","10.1021/jacs.5b12659","","","0.71073","MoKα","","0.0191","0.0188","","","0.0494","0.0496","","","","","","1.259","","","","has coordinates","177410","2020-10-21","18:00:00",""
"4124928","8.7222","0.0002","9.0474","0.0003","13.4007","0.0004","72.361","0.002","82.014","0.002","89.406","0.002","997.44","0.05","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C13.5 H16 Cu F6 N6 S2 -","- C13.5 H16 Cu F6 N6 S2 -","- C27 H32 Cu2 F12 N12 S4 -","2","1","","Xie, Da; King, Tyler L.; Banerjee, Arnab; Kohli, Vikraant; Que, Emily L.","Exploiting Copper Redox for (19)F Magnetic Resonance-Based Detection of Cellular Hypoxia.","Journal of the American Chemical Society","2016","138","9","2937","2940","10.1021/jacs.5b13215","","","1.54184","CuKα","","0.0381","0.036","","","0.0989","0.1012","","","","","","0.926","","","","has coordinates,has disorder","181435","2020-10-21","18:00:00",""
"4124929","18.3804","0.0012","4.2514","0.0003","19.3037","0.001","90","","98.606","0.006","90","","1491.45","0.16","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C9 H13 Cu F3 N6 S2 -","- C9 H13 Cu F3 N6 S2 -","- C36 H52 Cu4 F12 N24 S8 -","4","1","","Xie, Da; King, Tyler L.; Banerjee, Arnab; Kohli, Vikraant; Que, Emily L.","Exploiting Copper Redox for (19)F Magnetic Resonance-Based Detection of Cellular Hypoxia.","Journal of the American Chemical Society","2016","138","9","2937","2940","10.1021/jacs.5b13215","","","1.54184","CuKα","","0.0568","0.0463","","","0.1186","0.1262","","","","","","1.018","","","","has coordinates","181435","2020-10-21","18:00:00",""
"4124930","10.043","0.002","21.568","0.005","22.489","0.005","90.129","0.008","90.63","0.008","96.237","0.008","4842.1","1.8","193","2","193","2","","","","","","","","6","P -1","-P 1","2","","","","- C48.25 H77 N5 O P Si2 -","- C48.25 H77 N5 O P Si2 -","- C193 H308 N20 O4 P4 Si8 -","4","2","","Troadec, Thibault; Lopez Reyes, Morelia; Rodriguez, Ricardo; Baceiredo, Antoine; Saffon-Merceron, Nathalie; Branchadell, Vicenç; Kato, Tsuyoshi","Donor-Stabilized Silacyclobutanone: A Precursor of 1-Silaketene via Retro-[2 + 2]-Cycloaddition Reaction at Room Temperature.","Journal of the American Chemical Society","2016","138","9","2965","2968","10.1021/jacs.6b00631","","","0.71073","MoKα","","0.284","0.0855","","","0.1308","0.1913","","","","","","0.919","","","","has coordinates,has disorder","181436","2020-10-21","18:00:00",""
"4124931","12.4232","0.0006","26.8031","0.0013","18.2009","0.0008","90","","102.66","0.002","90","","5913.2","0.5","193","2","193","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C60.5 H78 N3 O P Si2 -","- C60.5 H78 N3 O P Si2 -","- C242 H312 N12 O4 P4 Si8 -","4","1","","Troadec, Thibault; Lopez Reyes, Morelia; Rodriguez, Ricardo; Baceiredo, Antoine; Saffon-Merceron, Nathalie; Branchadell, Vicenç; Kato, Tsuyoshi","Donor-Stabilized Silacyclobutanone: A Precursor of 1-Silaketene via Retro-[2 + 2]-Cycloaddition Reaction at Room Temperature.","Journal of the American Chemical Society","2016","138","9","2965","2968","10.1021/jacs.6b00631","","","0.71073","MoKα","","0.0858","0.0676","","","0.1912","0.2065","","","","","","1.096","","","","has coordinates,has disorder","181436","2020-10-21","18:00:00",""
"4124932","15.3555","0.0015","15.3555","0.0015","30.769","0.003","90","","90","","120","","6283.1","1.1","193","2","193","2","","","","","","","","6","P 31 2 1","P 31 2""","152","","","","- C84 H132 N6 O5 P2 Si4 -","- C84 H132 N6 O5 P2 Si4 -","- C252 H396 N18 O15 P6 Si12 -","3","0.5","","Troadec, Thibault; Lopez Reyes, Morelia; Rodriguez, Ricardo; Baceiredo, Antoine; Saffon-Merceron, Nathalie; Branchadell, Vicenç; Kato, Tsuyoshi","Donor-Stabilized Silacyclobutanone: A Precursor of 1-Silaketene via Retro-[2 + 2]-Cycloaddition Reaction at Room Temperature.","Journal of the American Chemical Society","2016","138","9","2965","2968","10.1021/jacs.6b00631","","","0.71073","MoKα","","0.0809","0.066","","","0.1561","0.1649","","","","","","1.066","","","","has coordinates,has disorder","181436","2020-10-21","18:00:00",""
"4124933","19.603","0.004","13.44","0.003","22.585","0.004","90","","110.951","0.008","90","","5557","2","193","2","193","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C62 H78 N3 O P Si3 -","- C62 H78 N3 O P Si3 -","- C248 H312 N12 O4 P4 Si12 -","4","1","","Troadec, Thibault; Lopez Reyes, Morelia; Rodriguez, Ricardo; Baceiredo, Antoine; Saffon-Merceron, Nathalie; Branchadell, Vicenç; Kato, Tsuyoshi","Donor-Stabilized Silacyclobutanone: A Precursor of 1-Silaketene via Retro-[2 + 2]-Cycloaddition Reaction at Room Temperature.","Journal of the American Chemical Society","2016","138","9","2965","2968","10.1021/jacs.6b00631","","","0.71073","MoKα","","0.1453","0.0604","","","0.1167","0.1455","","","","","","1.004","","","","has coordinates","181436","2020-10-21","18:00:00",""
"4124934","9.26","0.006","13.682","0.009","14.851","0.009","108.401","0.003","98.141","0.005","109.143","0.008","1622.3","1.8","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C44 H30 Cl2 N2 S -","- C44 H30 Cl2 N2 S -","- C88 H60 Cl4 N4 S2 -","2","1","","Hong, Jung-Ho; Aslam, Adil S.; Ishida, Masatoshi; Mori, Shigeki; Furuta, Hiroyuki; Cho, Dong-Gyu","2-(Naphthalen-1-yl)thiophene as a New Motif for Porphyrinoids: Meso-Fused Carbaporphyrin.","Journal of the American Chemical Society","2016","138","15","4992","4995","10.1021/jacs.6b01063","","","0.71075","MoKα","","0.1109","0.0891","","","0.2187","0.236","","","","","","1.021","","","","has coordinates","182497","2020-10-21","18:00:00",""
"4124935","9.169","0.003","13.469","0.005","15.617","0.006","107.223","0.004","100.014","0.005","102.029","0.004","1743.5","1.1","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C47 H36 N2 O Pd S -","- C47 H36 N2 O Pd S -","- C94 H72 N4 O2 Pd2 S2 -","2","1","","Hong, Jung-Ho; Aslam, Adil S.; Ishida, Masatoshi; Mori, Shigeki; Furuta, Hiroyuki; Cho, Dong-Gyu","2-(Naphthalen-1-yl)thiophene as a New Motif for Porphyrinoids: Meso-Fused Carbaporphyrin.","Journal of the American Chemical Society","2016","138","15","4992","4995","10.1021/jacs.6b01063","","","0.71075","MoKα","","0.0423","0.0378","","","0.076","0.0785","","","","","","1.072","","","","has coordinates,has disorder","182497","2020-10-21","18:00:00",""
"4124936","42.258","0.019","20.861","0.009","43.42","0.03","90","","114.457","0.005","90","","34842","3","130","2","130","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C280 H364 Au44 S28 -","- C280 H364 Au44 S28 -","- C1120 H1456 Au176 S112 -","4","0.5","","Zeng, Chenjie; Chen, Yuxiang; Iida, Kenji; Nobusada, Katsuyuki; Kirschbaum, Kristin; Lambright, Kelly J.; Jin, Rongchao","Gold Quantum Boxes: On the Periodicities and the Quantum Confinement in the Au28, Au36, Au44, and Au52 Magic Series.","Journal of the American Chemical Society","2016","138","12","3950","","10.1021/jacs.5b12747","","","0.71073","MoKα","","0.1896","0.114","","","0.1809","0.1944","","","","","","2.633","","","","has coordinates,has disorder","181429","2020-10-21","18:00:00",""
"4124937","12.802","0.0015","13.5388","0.0015","20.551","0.002","89.663","0.004","89.314","0.003","89.923","0.003","3561.7","0.7","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C28 H59 Lu O Si4 -","- C28 H59 Lu O Si4 -","- C112 H236 Lu4 O4 Si16 -","4","2","","Conley, Matthew P.; Lapadula, Giuseppe; Sanders, Kevin; Gajan, David; Lesage, Anne; Del Rosal, Iker; Maron, Laurent; Lukens, Wayne W.; Copéret, Christophe; Andersen, Richard A.","The Nature of Secondary Interactions at Electrophilic Metal Sites of Molecular and Silica-Supported Organolutetium Complexes from Solid-State NMR Spectroscopy.","Journal of the American Chemical Society","2016","138","11","3831","3843","10.1021/jacs.6b00071","","x-ray","0.71073","MoKα","","0.1059","0.0801","","","0.1761","0.1925","","","","","","1.198","","","","has coordinates,has disorder","181433","2020-10-21","18:00:00",""
"4124938","16.1659","0.0003","16.1659","0.0003","8.57041","0.00016","90","","90","","120","","1939.69","0.06","100","","100","","","","","","","","","4","P 3 1 c","P 3 -2c","159","","","","- C24 H57 Lu Si6.73 -","- C24 H57 Lu Si6.737 -","- C48 H114 Lu2 Si13.474 -","2","0.333333","","Conley, Matthew P.; Lapadula, Giuseppe; Sanders, Kevin; Gajan, David; Lesage, Anne; Del Rosal, Iker; Maron, Laurent; Lukens, Wayne W.; Copéret, Christophe; Andersen, Richard A.","The Nature of Secondary Interactions at Electrophilic Metal Sites of Molecular and Silica-Supported Organolutetium Complexes from Solid-State NMR Spectroscopy.","Journal of the American Chemical Society","2016","138","11","3831","3843","10.1021/jacs.6b00071","","","0.71073","MoKα","","0.0277","0.0252","","","0.055","0.0558","","","","","","1.095","","","","has coordinates","181433","2020-10-21","18:00:00",""
"4124939","12.6449","0.001","14.338","0.0011","22.5972","0.0018","69.3403","0.0014","77.9753","0.0014","89.5638","0.0014","3739.6","0.5","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C140 H244 Lu4 O8 Si8 -","- C140 H244 Lu4 O8 Si8 -","- C140 H244 Lu4 O8 Si8 -","1","0.5","","Conley, Matthew P.; Lapadula, Giuseppe; Sanders, Kevin; Gajan, David; Lesage, Anne; Del Rosal, Iker; Maron, Laurent; Lukens, Wayne W.; Copéret, Christophe; Andersen, Richard A.","The Nature of Secondary Interactions at Electrophilic Metal Sites of Molecular and Silica-Supported Organolutetium Complexes from Solid-State NMR Spectroscopy.","Journal of the American Chemical Society","2016","138","11","3831","3843","10.1021/jacs.6b00071","","x-ray","0.71073","MoKα","","0.0665","0.0427","","","0.0899","0.0989","","","","","","0.99","","","","has coordinates","181433","2020-10-21","18:00:00",""
"4124940","6.47304","0.00018","15.3437","0.0003","8.7824","0.0002","90","","106.276","0.003","90","","837.31","0.04","100","0.1","100","0.1","","","","","","","synthesis as described","4","P 1 21 1","P 2yb","4","","","","- C19 H20 N2 O3 -","- C19 H20 N2 O3 -","- C38 H40 N4 O6 -","2","1","","Izquierdo, Joseba; Landa, Aitor; Bastida, Iñaki; López, Rosa; Oiarbide, Mikel; Palomo, Claudio","Base-Catalyzed Asymmetric α-Functionalization of 2-(Cyanomethyl)azaarene N-Oxides Leading to Quaternary Stereocenters.","Journal of the American Chemical Society","2016","138","10","3282","3285","10.1021/jacs.5b13385","","x-ray","1.54184","CuKα","","0.0376","0.0368","","","0.0936","0.0944","","","","","","1.068","","","","has coordinates","181426","2020-10-21","18:00:00",""
"4124941","10.8427","0.0002","11.51906","0.00018","12.7877","0.0003","90","","107.159","0.002","90","","1526.06","0.05","150.01","0.1","150.01","0.1","","","","","","","synthesis as described","4","P 1 21 1","P 2yb","4","","","","- C30 H31 N5 O8 -","- C30 H31 N5 O8 -","- C60 H62 N10 O16 -","2","1","","Izquierdo, Joseba; Landa, Aitor; Bastida, Iñaki; López, Rosa; Oiarbide, Mikel; Palomo, Claudio","Base-Catalyzed Asymmetric α-Functionalization of 2-(Cyanomethyl)azaarene N-Oxides Leading to Quaternary Stereocenters.","Journal of the American Chemical Society","2016","138","10","3282","3285","10.1021/jacs.5b13385","","x-ray","1.54184","CuKα","","0.0432","0.0389","","","0.1008","0.1047","","","","","","1.038","","","","has coordinates","181426","2020-10-21","18:00:00",""
"4124942","10.2159","0.0005","9.57","0.0004","19.2612","0.001","90","","93.705","0.002","90","","1879.16","0.16","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H20 Br N Si -","- C20 H20 Br N Si -","- C80 H80 Br4 N4 Si4 -","4","1","","Ma, Yuanhong; Wang, Baoli; Zhang, Liang; Hou, Zhaomin","Boron-Catalyzed Aromatic C-H Bond Silylation with Hydrosilanes.","Journal of the American Chemical Society","2016","138","11","3663","3666","10.1021/jacs.6b01349","","","0.71073","MoKα","","0.0379","0.0303","","","0.0753","0.0806","","","","","","1.06","","","","has coordinates","181434","2020-10-21","18:00:00",""
"4124943","16.8026","0.0017","26.903","0.003","18.9027","0.0019","90","","93.495","0.002","90","","8528.9","1.5","100","2","100","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C32 H33 Co2 F18 N6 O6.88 P3 -","- C32 H33 Co2 F18 N6 O6.88 P3 -","- C256 H264 Co16 F144 N48 O55.04 P24 -","8","1","","Ullman, Andrew M.; Brodsky, Casey N.; Li, Nancy; Zheng, Shao-Liang; Nocera, Daniel G.","Probing Edge Site Reactivity of Oxidic Cobalt Water Oxidation Catalysts.","Journal of the American Chemical Society","2016","138","12","4229","","10.1021/jacs.6b00762","","","0.71073","MoKα","","0.0417","0.0393","","","0.1188","0.1207","","","","","","1.041","","","","has coordinates,has disorder","181430","2020-10-21","18:00:00",""
"4124944","13.602","0.004","34.516","0.011","24.963","0.008","90","","105.046","0.005","90","","11318","6","100","2","100","2","","","","","","","","7","P 1 21/m 1","-P 2yb","11","","","","- C160 H146 Cl11 Co10 N30 O102 P5 -","- C160 H146 Cl11.004 Co10 N30 O102 P5 -","- C320 H292 Cl22.008 Co20 N60 O203.999 P10 -","2","0.5","","Ullman, Andrew M.; Brodsky, Casey N.; Li, Nancy; Zheng, Shao-Liang; Nocera, Daniel G.","Probing Edge Site Reactivity of Oxidic Cobalt Water Oxidation Catalysts.","Journal of the American Chemical Society","2016","138","12","4229","","10.1021/jacs.6b00762","","","0.71073","MoKα","","0.1089","0.0764","","","0.2072","0.228","","","","","","1.068","","","","has coordinates,has disorder","181430","2020-10-21","18:00:00",""
"4124945","10.458","0.002","10.973","0.002","23.741","0.005","90","","90","","90","","2724.4","0.9","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C29 H25 N3 O7 S2 -","- C29 H25 N3 O7 S2 -","- C116 H100 N12 O28 S8 -","4","1","","Li, Yong; Zhu, Shugao; Li, Jian; Li, Ang","Asymmetric Total Syntheses of Aspidodasycarpine, Lonicerine, and the Proposed Structure of Lanciferine.","Journal of the American Chemical Society","2016","138","12","3982","","10.1021/jacs.6b00764","","","1.54178","CuKα","","0.041","0.0404","","","0.1108","0.1114","","","","","","1.04","","","","has coordinates","181428","2020-10-21","18:00:00",""
"4124946","9.9032","0.0009","16.5182","0.0016","17.4642","0.0016","90","","101.444","0.002","90","","2800.1","0.5","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C32 H34 N2 O4 S -","- C32 H34 N2 O4 S -","- C128 H136 N8 O16 S4 -","4","1","","Li, Yong; Zhu, Shugao; Li, Jian; Li, Ang","Asymmetric Total Syntheses of Aspidodasycarpine, Lonicerine, and the Proposed Structure of Lanciferine.","Journal of the American Chemical Society","2016","138","12","3982","","10.1021/jacs.6b00764","","","0.71073","MoKα","","0.0735","0.053","","","0.1383","0.1521","","","","","","1.03","","","","has coordinates","181428","2020-10-21","18:00:00",""
"4124947","7.9051","0.0008","12.8088","0.0012","17.3521","0.0017","93.167","0.002","98.943","0.002","92.014","0.002","1731.3","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C35 H36 N2 O8 S -","- C35 H36 N2 O8 S -","- C70 H72 N4 O16 S2 -","2","1","","Li, Yong; Zhu, Shugao; Li, Jian; Li, Ang","Asymmetric Total Syntheses of Aspidodasycarpine, Lonicerine, and the Proposed Structure of Lanciferine.","Journal of the American Chemical Society","2016","138","12","3982","","10.1021/jacs.6b00764","","","0.71073","MoKα","","0.0693","0.054","","","0.1674","0.178","","","","","","1.049","","","","has coordinates,has disorder","181428","2020-10-21","18:00:00",""
"4124948","10.4203","0.001","20.5076","0.0019","15.4032","0.0015","90","","91.771","0.005","90","","3290","0.5","100","2","100","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","trp011414","trp011414","","- C27 H46 B F3 N6 O3 S Zn -","- C27 H46 B F3 N6 O3 S Zn -","- C108 H184 B4 F12 N24 O12 S4 Zn4 -","4","1","","Hayes, Ellen C.; Porter, Thomas R.; Barrows, Charles J.; Kaminsky, Werner; Mayer, James M.; Stoll, Stefan","Electronic Structure of a Cu(II)-Alkoxide Complex Modeling Intermediates in Copper-Catalyzed Alcohol Oxidations.","Journal of the American Chemical Society","2016","138","12","4132","","10.1021/jacs.5b13088","","","0.71073","MoKα","","0.1007","0.069","","","0.1576","0.1813","","","","","","1.14","","","","has coordinates,has disorder","181431","2020-10-21","18:00:00",""
"4124949","10.364","0.0004","10.9643","0.0004","18.9571","0.0008","88.362","0.002","84.43","0.002","83.401","0.002","2129.46","0.14","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C40 H63 Fe K N2 O P3 Si -","- C40 H63 Fe K N2 O P3 Si -","- C80 H126 Fe2 K2 N4 O2 P6 Si2 -","2","1","","Rittle, Jonathan; Peters, Jonas C.","An Fe-N2 Complex That Generates Hydrazine and Ammonia via Fe═NNH2: Demonstrating a Hybrid Distal-to-Alternating Pathway for N2 Reduction.","Journal of the American Chemical Society","2016","138","12","4243","","10.1021/jacs.6b01230","","","1.54178","CuKα","","0.0841","0.0607","","","0.1375","0.1502","","","","","","1.03","","","","has coordinates,has disorder","181427","2020-10-21","18:00:00",""
"4124950","12.9079","0.0007","16.5462","0.0009","19.6878","0.0012","75.755","0.003","77.192","0.003","78.758","0.003","3930.1","0.4","100","2","100","2","","","","","","","","9","P -1","-P 1","2","","","","- C76.3 H85 B F24 Fe N2 O2 P3 Si -","- C76.3 H85 B F24 Fe N2 O2 P3 Si -","- C152.6 H170 B2 F48 Fe2 N4 O4 P6 Si2 -","2","1","","Rittle, Jonathan; Peters, Jonas C.","An Fe-N2 Complex That Generates Hydrazine and Ammonia via Fe═NNH2: Demonstrating a Hybrid Distal-to-Alternating Pathway for N2 Reduction.","Journal of the American Chemical Society","2016","138","12","4243","","10.1021/jacs.6b01230","","","0.71073","MoKα","","0.0653","0.0437","","","0.118","0.1256","","","","","","1.077","","","","has coordinates,has disorder","181427","2020-10-21","18:00:00",""
"4124951","27.371","0.003","12.5437","0.0011","31.967","0.003","90","","108.726","0.003","90","","10394.4","1.8","100","2","100","2","","","","","","","","9","C 1 2/c 1","-C 2yc","15","","","","- C45.5 H67.35 F3 Fe N2 O5 P3 S Si -","- C45.5 H67.352 F3 Fe N2 O5 P3 S Si -","- C364 H538.816 F24 Fe8 N16 O40 P24 S8 Si8 -","8","1","","Rittle, Jonathan; Peters, Jonas C.","An Fe-N2 Complex That Generates Hydrazine and Ammonia via Fe═NNH2: Demonstrating a Hybrid Distal-to-Alternating Pathway for N2 Reduction.","Journal of the American Chemical Society","2016","138","12","4243","","10.1021/jacs.6b01230","","","0.71073","MoKα","","0.0566","0.0424","","","0.1023","0.109","","","","","","1.051","","","","has coordinates,has disorder","181427","2020-10-21","18:00:00",""
"4124952","20.9744","0.0009","14.6729","0.0007","13.7649","0.0008","90","","90","","90","","4236.2","0.4","100","2","100","2","","","","","","","","9","P n a 21","P 2c -2n","33","","","","- C39 H60 F3 Fe N2 O3 P3 S Si -","- C39 H60 F3 Fe N2 O3 P3 S Si -","- C156 H240 F12 Fe4 N8 O12 P12 S4 Si4 -","4","1","","Rittle, Jonathan; Peters, Jonas C.","An Fe-N2 Complex That Generates Hydrazine and Ammonia via Fe═NNH2: Demonstrating a Hybrid Distal-to-Alternating Pathway for N2 Reduction.","Journal of the American Chemical Society","2016","138","12","4243","","10.1021/jacs.6b01230","","","0.71073","MoKα","","0.0367","0.0321","","","0.0766","0.0786","","","","","","1.061","","","","has coordinates,has disorder","181427","2020-10-21","18:00:00",""
"4124953","10.3195","0.0009","10.8239","0.001","19.347","0.0017","78.665","0.005","78.078","0.005","62.522","0.004","1863.1","0.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C38 H60 Fe N2 P3 Si -","- C38 H60 Fe N2 P3 Si -","- C76 H120 Fe2 N4 P6 Si2 -","2","1","","Rittle, Jonathan; Peters, Jonas C.","An Fe-N2 Complex That Generates Hydrazine and Ammonia via Fe═NNH2: Demonstrating a Hybrid Distal-to-Alternating Pathway for N2 Reduction.","Journal of the American Chemical Society","2016","138","12","4243","","10.1021/jacs.6b01230","","","0.71073","MoKα","","0.032","0.0269","","","0.0681","0.071","","","","","","1.029","","","","has coordinates","181427","2020-10-21","18:00:00",""
"4124954","9.8048","0.0012","9.0206","0.001","5.31486","0.00065","90","","106.544","0.0043","90","","450.61","0.09","300","","300","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- Ca1.44 Mg1.44 Na2.56 O24 Sc2.56 Si8 -","- Ca1.44 Mg1.44 Na2.56 O24 Sc2.56 Si8 -","- Ca1.44 Mg1.44 Na2.56 O24 Sc2.56 Si8 -","1","0.125","","Zhiguo Xia; Guokui Liu; Jianguo Wen; Zhigang Mei; Mahalingam Balasubramanian; Maxim S. Molokeev; Licong Peng; Lin Gu; Dean J. Miller; Quanlin Liu; Kenneth R. Poeppelmeier","Tuning of Photoluminescence by Cation Nanosegregation in the (CaMg)x(NaSc)1-xSi2O6 Solid Solution","Journal of the American Chemical Society","2016","138","4","1158","1161","10.1021/jacs.5b12788","powder diffraction","x-ray","0.4246","synchrotron","","","","","","","","","1.52","1.469","","","","","","","has coordinates,has Fobs","205493","2020-10-21","18:00:00",""
"4124955","23.873","0.005","8.3386","0.0018","42.097","0.009","90","","100.33","0.003","90","","8244","3","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C40 H48 N0.68 O8 Si4 -","- C40 H48 N0.68 O8 Si4 -","- C320 H384 N5.44 O64 Si32 -","8","1","","Kane, Christopher M.; Banisafar, Arash; Dougherty, Timothy P.; Barbour, Leonard J.; Holman, K. Travis","Enclathration and Confinement of Small Gases by the Intrinsically 0D Porous Molecular Solid, Me,H,SiMe2.","Journal of the American Chemical Society","2016","138","13","4377","4392","10.1021/jacs.5b11395","","","0.71073","MoKα","","0.0771","0.0536","","","0.1271","0.1367","","","","","","1.036","","","","has coordinates","182493","2020-10-21","18:00:00",""
"4124956","23.804","0.003","8.3344","0.0011","42.266","0.005","90","","99.346","0.002","90","","8273.9","1.8","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C40 H48 O8 Si4 Xe0.79 -","- C40 H48 O8 Si4 Xe0.79 -","- C320 H384 O64 Si32 Xe6.32 -","8","1","","Kane, Christopher M.; Banisafar, Arash; Dougherty, Timothy P.; Barbour, Leonard J.; Holman, K. Travis","Enclathration and Confinement of Small Gases by the Intrinsically 0D Porous Molecular Solid, Me,H,SiMe2.","Journal of the American Chemical Society","2016","138","13","4377","4392","10.1021/jacs.5b11395","","","0.71073","MoKα","","0.0424","0.0367","","","0.0835","0.0861","","","","","","1.024","","","","has coordinates","182493","2020-10-21","18:00:00",""
"4124957","23.828","0.003","8.3065","0.0009","42.146","0.004","90","","99.653","0.001","90","","8223.7","1.6","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C40.8 H50.4 F0.8 O8 Si4 -","- C40.8 H50.4 F0.8 O8 Si4 -","- C326.4 H403.2 F6.4 O64 Si32 -","8","1","","Kane, Christopher M.; Banisafar, Arash; Dougherty, Timothy P.; Barbour, Leonard J.; Holman, K. Travis","Enclathration and Confinement of Small Gases by the Intrinsically 0D Porous Molecular Solid, Me,H,SiMe2.","Journal of the American Chemical Society","2016","138","13","4377","4392","10.1021/jacs.5b11395","","","0.71073","MoKα","","0.0778","0.0543","","","0.1114","0.1187","","","","","","1.039","","","","has coordinates","182493","2020-10-21","18:00:00",""
"4124958","23.834","0.003","8.3285","0.0012","42.189","0.006","90","","99.798","0.002","90","","8252","2","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C40.84 H51.36 O8 Si4 -","- C40.84 H48 O8 Si4 -","- C326.72 H384 O64 Si32 -","8","1","","Kane, Christopher M.; Banisafar, Arash; Dougherty, Timothy P.; Barbour, Leonard J.; Holman, K. Travis","Enclathration and Confinement of Small Gases by the Intrinsically 0D Porous Molecular Solid, Me,H,SiMe2.","Journal of the American Chemical Society","2016","138","13","4377","4392","10.1021/jacs.5b11395","","","0.71073","MoKα","","0.0561","0.0441","","","0.1096","0.1148","","","","","","1.03","","","","has coordinates","182493","2020-10-21","18:00:00",""
"4124959","23.823","0.002","8.3369","0.0007","42.087","0.004","90","","99.935","0.001","90","","8233.5","1.3","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C40 H48 Kr0.51 O8 Si4 -","- C40 H48 Kr0.51 O8 Si4 -","- C320 H384 Kr4.08 O64 Si32 -","8","1","","Kane, Christopher M.; Banisafar, Arash; Dougherty, Timothy P.; Barbour, Leonard J.; Holman, K. Travis","Enclathration and Confinement of Small Gases by the Intrinsically 0D Porous Molecular Solid, Me,H,SiMe2.","Journal of the American Chemical Society","2016","138","13","4377","4392","10.1021/jacs.5b11395","","","0.71073","MoKα","","0.0832","0.0489","","","0.1069","0.1154","","","","","","1.04","","","","has coordinates","182493","2020-10-21","18:00:00",""
"4124960","23.8489","0.0014","8.3186","0.0005","42.289","0.003","90","","99.377","0.001","90","","8277.6","0.9","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C40.83 H51.32 O8 S0.83 Si4 -","- C40.83 H51.32 O8 S0.83 Si4 -","- C326.64 H410.56 O64 S6.64 Si32 -","8","1","","Kane, Christopher M.; Banisafar, Arash; Dougherty, Timothy P.; Barbour, Leonard J.; Holman, K. Travis","Enclathration and Confinement of Small Gases by the Intrinsically 0D Porous Molecular Solid, Me,H,SiMe2.","Journal of the American Chemical Society","2016","138","13","4377","4392","10.1021/jacs.5b11395","","","0.71073","MoKα","","0.0545","0.0503","","","0.1207","0.1225","","","","","","1.127","","","","has coordinates","182493","2020-10-21","18:00:00",""
"4124961","23.909","0.003","8.4216","0.001","42.409","0.005","90","","100.522","0.002","90","","8395.6","1.8","298","2","298","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C40 H48 O8 Si4 -","- C40 H48 O8 Si4 -","- C320 H384 O64 Si32 -","8","1","","Kane, Christopher M.; Banisafar, Arash; Dougherty, Timothy P.; Barbour, Leonard J.; Holman, K. Travis","Enclathration and Confinement of Small Gases by the Intrinsically 0D Porous Molecular Solid, Me,H,SiMe2.","Journal of the American Chemical Society","2016","138","13","4377","4392","10.1021/jacs.5b11395","","","0.71073","MoKα","","0.0887","0.0508","","","0.1389","0.1552","","","","","","1.047","","","","has coordinates","182493","2020-10-21","18:00:00",""
"4124962","23.8634","0.0018","8.3296","0.0006","42.051","0.003","90","","100.508","0.001","90","","8218.4","1","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C40 H48.58 O8.29 Si4 -","- C40 H48 O8.29 Si4 -","- C320 H384 O66.32 Si32 -","8","1","","Kane, Christopher M.; Banisafar, Arash; Dougherty, Timothy P.; Barbour, Leonard J.; Holman, K. Travis","Enclathration and Confinement of Small Gases by the Intrinsically 0D Porous Molecular Solid, Me,H,SiMe2.","Journal of the American Chemical Society","2016","138","13","4377","4392","10.1021/jacs.5b11395","","","0.71073","MoKα","","0.0572","0.0447","","","0.1148","0.1225","","","","","","0.854","","","","has coordinates","182493","2020-10-21","18:00:00",""
"4124963","23.896","0.003","8.3362","0.001","42.099","0.005","90","","100.506","0.001","90","","8245.6","1.7","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C40 H48.42 O8.21 Si4 -","- C40 H48 O8.21 Si4 -","- C320 H384 O65.68 Si32 -","8","1","","Kane, Christopher M.; Banisafar, Arash; Dougherty, Timothy P.; Barbour, Leonard J.; Holman, K. Travis","Enclathration and Confinement of Small Gases by the Intrinsically 0D Porous Molecular Solid, Me,H,SiMe2.","Journal of the American Chemical Society","2016","138","13","4377","4392","10.1021/jacs.5b11395","","","0.71073","MoKα","","0.0679","0.0474","","","0.1145","0.1214","","","","","","0.956","","","","has coordinates","182493","2020-10-21","18:00:00",""
"4124964","23.819","0.002","8.3375","0.0009","42.216","0.004","90","","99.032","0.001","90","","8279.8","1.4","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C41 H51 Cl O8 Si4 -","- C41 H51 Cl O8 Si4 -","- C328 H408 Cl8 O64 Si32 -","8","1","","Kane, Christopher M.; Banisafar, Arash; Dougherty, Timothy P.; Barbour, Leonard J.; Holman, K. Travis","Enclathration and Confinement of Small Gases by the Intrinsically 0D Porous Molecular Solid, Me,H,SiMe2.","Journal of the American Chemical Society","2016","138","13","4377","4392","10.1021/jacs.5b11395","","","0.71073","MoKα","","0.0704","0.0521","","","0.1356","0.1445","","","","","","1.059","","","","has coordinates","182493","2020-10-21","18:00:00",""
"4124965","23.806","0.002","8.3338","0.0008","42.087","0.004","90","","99.934","0.002","90","","8224.6","1.3","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C40 H48 Kr0.52 O8 Si4 -","- C40 H48 Kr0.52 O8 Si4 -","- C320 H384 Kr4.16 O64 Si32 -","8","1","","Kane, Christopher M.; Banisafar, Arash; Dougherty, Timothy P.; Barbour, Leonard J.; Holman, K. Travis","Enclathration and Confinement of Small Gases by the Intrinsically 0D Porous Molecular Solid, Me,H,SiMe2.","Journal of the American Chemical Society","2016","138","13","4377","4392","10.1021/jacs.5b11395","","","0.71073","MoKα","","0.048","0.0377","","","0.0838","0.0869","","","","","","1.051","","","","has coordinates","182493","2020-10-21","18:00:00",""
"4124966","23.891","0.0019","8.3191","0.0007","41.994","0.003","90","","100.294","0.001","90","","8212","1.1","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C40.36 H48 O8.72 Si4 -","- C40.36 H48 O8.72 Si4 -","- C322.88 H384 O69.76 Si32 -","8","1","","Kane, Christopher M.; Banisafar, Arash; Dougherty, Timothy P.; Barbour, Leonard J.; Holman, K. Travis","Enclathration and Confinement of Small Gases by the Intrinsically 0D Porous Molecular Solid, Me,H,SiMe2.","Journal of the American Chemical Society","2016","138","13","4377","4392","10.1021/jacs.5b11395","","","0.71073","MoKα","","0.0814","0.0511","","","0.1135","0.1229","","","","","","1.098","","","","has coordinates","182493","2020-10-21","18:00:00",""
"4124967","23.765","0.002","8.4219","0.0007","42.791","0.004","90","","101.108","0.001","90","","8404","1.3","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C40.74 H49.48 Br0.74 Cl0.74 O8 Si4 -","- C40.74 H49.48 Br0.74 Cl0.74 O8 Si4 -","- C325.92 H395.84 Br5.92 Cl5.92 O64 Si32 -","8","1","","Kane, Christopher M.; Banisafar, Arash; Dougherty, Timothy P.; Barbour, Leonard J.; Holman, K. Travis","Enclathration and Confinement of Small Gases by the Intrinsically 0D Porous Molecular Solid, Me,H,SiMe2.","Journal of the American Chemical Society","2016","138","13","4377","4392","10.1021/jacs.5b11395","","","0.71073","MoKα","","0.0805","0.0555","","","0.1207","0.1278","","","","","","1.043","","","","has coordinates,has disorder","182493","2020-10-21","18:00:00",""
"4124968","23.781","0.003","8.3577","0.001","42.317","0.005","90","","98.998","0.002","90","","8307.2","1.7","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C41 H51 Br O8 Si4 -","- C41 H51 Br O8 Si4 -","- C328 H408 Br8 O64 Si32 -","8","1","","Kane, Christopher M.; Banisafar, Arash; Dougherty, Timothy P.; Barbour, Leonard J.; Holman, K. Travis","Enclathration and Confinement of Small Gases by the Intrinsically 0D Porous Molecular Solid, Me,H,SiMe2.","Journal of the American Chemical Society","2016","138","13","4377","4392","10.1021/jacs.5b11395","","","0.71073","MoKα","","0.0616","0.0536","","","0.139","0.1427","","","","","","1.047","","","","has coordinates","182493","2020-10-21","18:00:00",""
"4124969","23.87","0.003","8.3289","0.001","42.091","0.005","90","","100.485","0.002","90","","8228.4","1.7","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C40 H48 N0.28 O8 Si4 -","- C40 H48 N0.28 O8 Si4 -","- C320 H384 N2.24 O64 Si32 -","8","1","","Kane, Christopher M.; Banisafar, Arash; Dougherty, Timothy P.; Barbour, Leonard J.; Holman, K. Travis","Enclathration and Confinement of Small Gases by the Intrinsically 0D Porous Molecular Solid, Me,H,SiMe2.","Journal of the American Chemical Society","2016","138","13","4377","4392","10.1021/jacs.5b11395","","","0.71073","MoKα","","0.0645","0.0451","","","0.1042","0.1112","","","","","","1.042","","","","has coordinates","182493","2020-10-21","18:00:00",""
"4124970","23.925","0.01","8.351","0.004","42.16","0.017","90","","100.429","0.005","90","","8284","6","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C40 H48 N0.46 O8 Si4 -","- C40 H48 N0.46 O8 Si4 -","- C320 H384 N3.68 O64 Si32 -","8","1","","Kane, Christopher M.; Banisafar, Arash; Dougherty, Timothy P.; Barbour, Leonard J.; Holman, K. Travis","Enclathration and Confinement of Small Gases by the Intrinsically 0D Porous Molecular Solid, Me,H,SiMe2.","Journal of the American Chemical Society","2016","138","13","4377","4392","10.1021/jacs.5b11395","","","0.71073","MoKα","","0.0617","0.0438","","","0.1054","0.1122","","","","","","1.04","","","","has coordinates","182493","2020-10-21","18:00:00",""
"4124971","23.785","0.002","8.3252","0.0007","42.237","0.004","90","","99.359","0.001","90","","8252.2","1.3","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C40 H48 O8 Si4 Xe0.77 -","- C40 H48 O8 Si4 Xe0.77 -","- C320 H384 O64 Si32 Xe6.16 -","8","1","","Kane, Christopher M.; Banisafar, Arash; Dougherty, Timothy P.; Barbour, Leonard J.; Holman, K. Travis","Enclathration and Confinement of Small Gases by the Intrinsically 0D Porous Molecular Solid, Me,H,SiMe2.","Journal of the American Chemical Society","2016","138","13","4377","4392","10.1021/jacs.5b11395","","","0.71073","MoKα","","0.073","0.0559","","","0.1061","0.1103","","","","","","1.16","","","","has coordinates","182493","2020-10-21","18:00:00",""
"4124972","23.8264","0.0018","8.3413","0.0006","42.248","0.003","90","","99.931","0.001","90","","8270.7","1","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C41.16 H51.48 O8 Si4 -","- C41.16 H51.48 O8 Si4 -","- C329.28 H411.84 O64 Si32 -","8","1","","Kane, Christopher M.; Banisafar, Arash; Dougherty, Timothy P.; Barbour, Leonard J.; Holman, K. Travis","Enclathration and Confinement of Small Gases by the Intrinsically 0D Porous Molecular Solid, Me,H,SiMe2.","Journal of the American Chemical Society","2016","138","13","4377","4392","10.1021/jacs.5b11395","","","0.71073","MoKα","","0.0644","0.0526","","","0.1128","0.117","","","","","","1.09","","","","has coordinates","182493","2020-10-21","18:00:00",""
"4124973","23.7418","0.0015","8.3761","0.0005","42.667","0.003","90","","99.403","0.001","90","","8370.9","0.9","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C41 H51 I O8 Si4 -","- C41 H51 I O8 Si4 -","- C328 H408 I8 O64 Si32 -","8","1","","Kane, Christopher M.; Banisafar, Arash; Dougherty, Timothy P.; Barbour, Leonard J.; Holman, K. Travis","Enclathration and Confinement of Small Gases by the Intrinsically 0D Porous Molecular Solid, Me,H,SiMe2.","Journal of the American Chemical Society","2016","138","13","4377","4392","10.1021/jacs.5b11395","","","0.71073","MoKα","","0.069","0.0514","","","0.1279","0.1362","","","","","","1.059","","","","has coordinates","182493","2020-10-21","18:00:00",""
"4124974","23.7918","0.0015","8.3456","0.0005","42.268","0.003","90","","99.785","0.001","90","","8270.5","0.9","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C41.44 H52.32 O8 Si4 -","- C41.44 H52.32 O8 Si4 -","- C331.52 H418.56 O64 Si32 -","8","1","","Kane, Christopher M.; Banisafar, Arash; Dougherty, Timothy P.; Barbour, Leonard J.; Holman, K. Travis","Enclathration and Confinement of Small Gases by the Intrinsically 0D Porous Molecular Solid, Me,H,SiMe2.","Journal of the American Chemical Society","2016","138","13","4377","4392","10.1021/jacs.5b11395","","","0.71073","MoKα","","0.0644","0.05","","","0.1104","0.1157","","","","","","1.062","","","","has coordinates","182493","2020-10-21","18:00:00",""
"4124975","23.598","0.002","8.4762","0.0007","42.844","0.004","90","","99.75","0.001","90","","8445.9","1.3","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C42 H53 Cl O8 Si4 -","- C42 H53 Cl O8 Si4 -","- C336 H424 Cl8 O64 Si32 -","8","1","","Kane, Christopher M.; Banisafar, Arash; Dougherty, Timothy P.; Barbour, Leonard J.; Holman, K. Travis","Enclathration and Confinement of Small Gases by the Intrinsically 0D Porous Molecular Solid, Me,H,SiMe2.","Journal of the American Chemical Society","2016","138","13","4377","4392","10.1021/jacs.5b11395","","","0.71073","MoKα","","0.0529","0.0421","","","0.1062","0.1117","","","","","","1","","","","has coordinates","182493","2020-10-21","18:00:00",""
"4124976","23.844","0.002","8.3749","0.0008","42.788","0.004","90","","101.337","0.001","90","","8377.7","1.3","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C40.85 H49.7 Cl1.7 O8 Si4 -","- C40.85 H49.7 Cl1.7 O8 Si4 -","- C326.8 H397.6 Cl13.6 O64 Si32 -","8","1","","Kane, Christopher M.; Banisafar, Arash; Dougherty, Timothy P.; Barbour, Leonard J.; Holman, K. Travis","Enclathration and Confinement of Small Gases by the Intrinsically 0D Porous Molecular Solid, Me,H,SiMe2.","Journal of the American Chemical Society","2016","138","13","4377","4392","10.1021/jacs.5b11395","","","0.71073","MoKα","","0.0706","0.0461","","","0.1056","0.1143","","","","","","1.052","","","","has coordinates,has disorder","182493","2020-10-21","18:00:00",""
"4124977","23.8542","0.0015","8.3297","0.0005","42.074","0.003","90","","99.53","0.001","90","","8244.7","0.9","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C41.22 H50.44 O8 Si4 -","- C41.22 H50.44 O8 Si4 -","- C329.76 H403.52 O64 Si32 -","8","1","","Kane, Christopher M.; Banisafar, Arash; Dougherty, Timothy P.; Barbour, Leonard J.; Holman, K. Travis","Enclathration and Confinement of Small Gases by the Intrinsically 0D Porous Molecular Solid, Me,H,SiMe2.","Journal of the American Chemical Society","2016","138","13","4377","4392","10.1021/jacs.5b11395","","","0.71073","MoKα","","0.0592","0.0447","","","0.1062","0.1124","","","","","","1.018","","","","has coordinates","182493","2020-10-21","18:00:00",""
"4124978","23.835","0.004","8.3212","0.0013","42.075","0.006","90","","100.274","0.002","90","","8211","2","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C40.23 H48.69 F0.23 O8 Si4 -","- C40.23 H48.69 F0.23 O8 Si4 -","- C321.84 H389.52 F1.84 O64 Si32 -","8","1","","Kane, Christopher M.; Banisafar, Arash; Dougherty, Timothy P.; Barbour, Leonard J.; Holman, K. Travis","Enclathration and Confinement of Small Gases by the Intrinsically 0D Porous Molecular Solid, Me,H,SiMe2.","Journal of the American Chemical Society","2016","138","13","4377","4392","10.1021/jacs.5b11395","","","0.71073","MoKα","","0.084","0.0528","","","0.1222","0.1326","","","","","","1.125","","","","has coordinates","182493","2020-10-21","18:00:00",""
"4124979","23.828","0.005","8.3023","0.0017","42.093","0.009","90","","99.374","0.003","90","","8216","3","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C40 H49.7 O8 S0.85 Si4 -","- C40 H49.7 O8 S0.85 Si4 -","- C320 H397.6 O64 S6.8 Si32 -","8","1","","Kane, Christopher M.; Banisafar, Arash; Dougherty, Timothy P.; Barbour, Leonard J.; Holman, K. Travis","Enclathration and Confinement of Small Gases by the Intrinsically 0D Porous Molecular Solid, Me,H,SiMe2.","Journal of the American Chemical Society","2016","138","13","4377","4392","10.1021/jacs.5b11395","","","0.71073","MoKα","","0.072","0.0509","","","0.1088","0.1162","","","","","","1.058","","","","has coordinates","182493","2020-10-21","18:00:00",""
"4124980","23.901","0.002","8.3164","0.0008","41.986","0.004","90","","100.205","0.001","90","","8213.5","1.3","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C40.46 H48 O8.92 Si4 -","- C40.46 H48 O8.92 Si4 -","- C323.68 H384 O71.36 Si32 -","8","1","","Kane, Christopher M.; Banisafar, Arash; Dougherty, Timothy P.; Barbour, Leonard J.; Holman, K. Travis","Enclathration and Confinement of Small Gases by the Intrinsically 0D Porous Molecular Solid, Me,H,SiMe2.","Journal of the American Chemical Society","2016","138","13","4377","4392","10.1021/jacs.5b11395","","","0.71073","MoKα","","0.0725","0.0475","","","0.113","0.1222","","","","","","1.103","","","","has coordinates","182493","2020-10-21","18:00:00",""
"4124981","23.922","0.003","8.283","0.0011","42.467","0.005","90","","100.387","0.001","90","","8276.8","1.8","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C41 H51 N O10 Si4 -","- C41 H51 N O10 Si4 -","- C328 H408 N8 O80 Si32 -","8","1","","Kane, Christopher M.; Banisafar, Arash; Dougherty, Timothy P.; Barbour, Leonard J.; Holman, K. Travis","Enclathration and Confinement of Small Gases by the Intrinsically 0D Porous Molecular Solid, Me,H,SiMe2.","Journal of the American Chemical Society","2016","138","13","4377","4392","10.1021/jacs.5b11395","","","0.71073","MoKα","","0.0503","0.0411","","","0.1038","0.1082","","","","","","1.04","","","","has coordinates","182493","2020-10-21","18:00:00",""
"4124982","23.8337","0.0017","8.349","0.0006","42.261","0.003","90","","99.898","0.001","90","","8284.2","1","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C41.16 H51.48 O8 Si4 -","- C41.16 H51.48 O8 Si4 -","- C329.28 H411.84 O64 Si32 -","8","1","","Kane, Christopher M.; Banisafar, Arash; Dougherty, Timothy P.; Barbour, Leonard J.; Holman, K. Travis","Enclathration and Confinement of Small Gases by the Intrinsically 0D Porous Molecular Solid, Me,H,SiMe2.","Journal of the American Chemical Society","2016","138","13","4377","4392","10.1021/jacs.5b11395","","","0.71073","MoKα","","0.062","0.0543","","","0.1173","0.12","","","","","","1.155","","","","has coordinates","182493","2020-10-21","18:00:00",""
"4124983","23.906","0.002","8.3015","0.0008","42.15","0.004","90","","100.301","0.001","90","","8230.1","1.3","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C40.67 H50.68 O8.67 Si4 -","- C40.67 H50.68 O8.67 Si4 -","- C325.36 H405.44 O69.36 Si32 -","8","1","","Kane, Christopher M.; Banisafar, Arash; Dougherty, Timothy P.; Barbour, Leonard J.; Holman, K. Travis","Enclathration and Confinement of Small Gases by the Intrinsically 0D Porous Molecular Solid, Me,H,SiMe2.","Journal of the American Chemical Society","2016","138","13","4377","4392","10.1021/jacs.5b11395","","","0.71073","MoKα","","0.0872","0.0522","","","0.1153","0.1271","","","","","","1.078","","","","has coordinates","182493","2020-10-21","18:00:00",""
"4124984","23.851","0.003","8.3122","0.0009","42.101","0.005","90","","100.069","0.001","90","","8218.1","1.7","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C40.37 H49.39 F0.37 O8.14 Si4 -","- C40.37 H49.11 F0.37 O8.14 Si4 -","- C322.96 H392.88 F2.96 O65.12 Si32 -","8","1","","Kane, Christopher M.; Banisafar, Arash; Dougherty, Timothy P.; Barbour, Leonard J.; Holman, K. Travis","Enclathration and Confinement of Small Gases by the Intrinsically 0D Porous Molecular Solid, Me,H,SiMe2.","Journal of the American Chemical Society","2016","138","13","4377","4392","10.1021/jacs.5b11395","","","0.71073","MoKα","","0.0765","0.0501","","","0.1218","0.1322","","","","","","1.121","","","","has coordinates,has disorder","182493","2020-10-21","18:00:00",""
"4124985","23.804","0.005","8.3353","0.0019","42.068","0.01","90","","100.038","0.004","90","","8219","3","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C40 H48 Ar0.61 O8 Si4 -","- C40 H48 Ar0.61 O8 Si4 -","- C320 H384 Ar4.88 O64 Si32 -","8","1","","Kane, Christopher M.; Banisafar, Arash; Dougherty, Timothy P.; Barbour, Leonard J.; Holman, K. Travis","Enclathration and Confinement of Small Gases by the Intrinsically 0D Porous Molecular Solid, Me,H,SiMe2.","Journal of the American Chemical Society","2016","138","13","4377","4392","10.1021/jacs.5b11395","","","0.71073","MoKα","","0.0607","0.0479","","","0.1176","0.1241","","","","","","1.02","","","","has coordinates","182493","2020-10-21","18:00:00",""
"4124986","23.797","0.007","8.333","0.002","42.275","0.012","90","","99.38","0.004","90","","8271","4","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C40 H48 O8 Si4 Xe0.79 -","- C40 H48 O8 Si4 Xe0.79 -","- C320 H384 O64 Si32 Xe6.32 -","8","1","","Kane, Christopher M.; Banisafar, Arash; Dougherty, Timothy P.; Barbour, Leonard J.; Holman, K. Travis","Enclathration and Confinement of Small Gases by the Intrinsically 0D Porous Molecular Solid, Me,H,SiMe2.","Journal of the American Chemical Society","2016","138","13","4377","4392","10.1021/jacs.5b11395","","","0.71073","MoKα","","0.0884","0.0564","","","0.1184","0.1263","","","","","","1.085","","","","has coordinates","182493","2020-10-21","18:00:00",""
"4124987","23.878","0.002","8.3377","0.0009","42.105","0.004","90","","100.631","0.001","90","","8238.7","1.4","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C40 H48 O8 Si4 -","- C40 H48 O8 Si4 -","- C320 H384 O64 Si32 -","8","1","","Kane, Christopher M.; Banisafar, Arash; Dougherty, Timothy P.; Barbour, Leonard J.; Holman, K. Travis","Enclathration and Confinement of Small Gases by the Intrinsically 0D Porous Molecular Solid, Me,H,SiMe2.","Journal of the American Chemical Society","2016","138","13","4377","4392","10.1021/jacs.5b11395","","","0.71073","MoKα","","0.066","0.0472","","","0.1308","0.1434","","","","","","1.065","","","","has coordinates","182493","2020-10-21","18:00:00",""
"4124988","23.86","0.0012","8.3389","0.0004","42.135","0.002","90","","100.525","0.001","90","","8242.4","0.7","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C40 H48 I0.12 O8 Si4 -","- C40 H48 I0.12 O8 Si4 -","- C320 H384 I0.96 O64 Si32 -","8","1","","Kane, Christopher M.; Banisafar, Arash; Dougherty, Timothy P.; Barbour, Leonard J.; Holman, K. Travis","Enclathration and Confinement of Small Gases by the Intrinsically 0D Porous Molecular Solid, Me,H,SiMe2.","Journal of the American Chemical Society","2016","138","13","4377","4392","10.1021/jacs.5b11395","","","0.71073","MoKα","","0.0766","0.0556","","","0.1257","0.1334","","","","","","1.057","","","","has coordinates,has disorder","182493","2020-10-21","18:00:00",""
"4124989","23.811","0.002","8.3707","0.0008","42.646","0.004","90","","100.829","0.001","90","","8348.6","1.3","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C41.64 H52.92 O8.82 Si4 -","- C41.64 H52.92 O8.82 Si4 -","- C333.12 H423.36 O70.56 Si32 -","8","1","","Kane, Christopher M.; Banisafar, Arash; Dougherty, Timothy P.; Barbour, Leonard J.; Holman, K. Travis","Enclathration and Confinement of Small Gases by the Intrinsically 0D Porous Molecular Solid, Me,H,SiMe2.","Journal of the American Chemical Society","2016","138","13","4377","4392","10.1021/jacs.5b11395","","","0.71073","MoKα","","0.0713","0.0522","","","0.1197","0.1273","","","","","","1.03","","","","has coordinates","182493","2020-10-21","18:00:00",""
"4124990","23.8513","0.0017","8.3338","0.0006","42.06","0.003","90","","100.528","0.001","90","","8219.6","1","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C40 H48 Kr0.07 O8 Si4 -","- C40 H48 Kr0.07 O8 Si4 -","- C320 H384 Kr0.56 O64 Si32 -","8","1","","Kane, Christopher M.; Banisafar, Arash; Dougherty, Timothy P.; Barbour, Leonard J.; Holman, K. Travis","Enclathration and Confinement of Small Gases by the Intrinsically 0D Porous Molecular Solid, Me,H,SiMe2.","Journal of the American Chemical Society","2016","138","13","4377","4392","10.1021/jacs.5b11395","","","0.71073","MoKα","","0.0943","0.054","","","0.1126","0.1236","","","","","","1.025","","","","has coordinates","182493","2020-10-21","18:00:00",""
"4124991","23.842","0.002","8.3261","0.0007","42.069","0.004","90","","99.529","0.001","90","","8235.9","1.3","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C41.3 H50.6 O8 Si4 -","- C41.3 H50.6 O8 Si4 -","- C330.4 H404.8 O64 Si32 -","8","1","","Kane, Christopher M.; Banisafar, Arash; Dougherty, Timothy P.; Barbour, Leonard J.; Holman, K. Travis","Enclathration and Confinement of Small Gases by the Intrinsically 0D Porous Molecular Solid, Me,H,SiMe2.","Journal of the American Chemical Society","2016","138","13","4377","4392","10.1021/jacs.5b11395","","","0.71073","MoKα","","0.0506","0.0429","","","0.1022","0.1056","","","","","","1.029","","","","has coordinates","182493","2020-10-21","18:00:00",""
"4124992","23.782","0.003","8.3354","0.0009","42.228","0.005","90","","98.903","0.001","90","","8270.1","1.7","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C41 H51 Cl O8 Si4 -","- C41 H51 Cl O8 Si4 -","- C328 H408 Cl8 O64 Si32 -","8","1","","Kane, Christopher M.; Banisafar, Arash; Dougherty, Timothy P.; Barbour, Leonard J.; Holman, K. Travis","Enclathration and Confinement of Small Gases by the Intrinsically 0D Porous Molecular Solid, Me,H,SiMe2.","Journal of the American Chemical Society","2016","138","13","4377","4392","10.1021/jacs.5b11395","","","0.71073","MoKα","","0.0803","0.0481","","","0.104","0.1133","","","","","","1.058","","","","has coordinates","182493","2020-10-21","18:00:00",""
"4124993","23.867","0.003","8.3297","0.0009","42.143","0.005","90","","100.399","0.002","90","","8240.6","1.7","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C40.26 H48.78 O8.13 Si4 -","- C40.26 H48.78 O8.13 Si4 -","- C322.08 H390.24 O65.04 Si32 -","8","1","","Kane, Christopher M.; Banisafar, Arash; Dougherty, Timothy P.; Barbour, Leonard J.; Holman, K. Travis","Enclathration and Confinement of Small Gases by the Intrinsically 0D Porous Molecular Solid, Me,H,SiMe2.","Journal of the American Chemical Society","2016","138","13","4377","4392","10.1021/jacs.5b11395","","","0.71073","MoKα","","0.0849","0.0519","","","0.1178","0.1287","","","","","","1.068","","","","has coordinates,has disorder","182493","2020-10-21","18:00:00",""
"4124994","23.839","0.002","8.3267","0.0008","42.192","0.004","90","","99.767","0.001","90","","8253.7","1.3","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C40.79 H51.16 O8 Si4 -","- C40.79 H48 O8 Si4 -","- C326.32 H384 O64 Si32 -","8","1","","Kane, Christopher M.; Banisafar, Arash; Dougherty, Timothy P.; Barbour, Leonard J.; Holman, K. Travis","Enclathration and Confinement of Small Gases by the Intrinsically 0D Porous Molecular Solid, Me,H,SiMe2.","Journal of the American Chemical Society","2016","138","13","4377","4392","10.1021/jacs.5b11395","","","0.71073","MoKα","","0.0573","0.0442","","","0.1112","0.1174","","","","","","1.048","","","","has coordinates","182493","2020-10-21","18:00:00",""
"4124995","12.6179","0.0004","16.9418","0.0006","21.2119","0.0007","80.997","0.003","74.486","0.003","87.144","0.003","4315.3","0.3","123","2","123","2","","","","","","","","6","P -1","-P 1","2","","","","- C86 H85 B F24 N4 Si2 -","- C86 H85 B F24 N4 Si2 -","- C172 H170 B2 F48 N8 Si4 -","2","1","","Arz, Marius I.; Straßmann, Martin; Geiß, Daniel; Schnakenburg, Gregor; Filippou, Alexander C.","Addition of Small Electrophiles to N-Heterocyclic-Carbene-Stabilized Disilicon(0): A Revisit of the Isolobal Concept in Low-Valent Silicon Chemistry.","Journal of the American Chemical Society","2016","138","13","4589","4600","10.1021/jacs.6b01018","","","0.71073","MoKα","","0.0778","0.0456","","","0.1047","0.1142","","","","","","0.945","","","","has coordinates,has disorder","182496","2020-10-21","18:00:00",""
"4124996","21.7127","0.0005","29.2279","0.0008","26.0364","0.0005","90","","90","","90","","16523.1","0.7","123","2","123","2","","","","","","","","7","A e a 2","A 2 -2ab","41","","","","- C84 H86 B F20 Li N4 Si2 -","- C84 H86 B F20 Li N4 Si2 -","- C672 H688 B8 F160 Li8 N32 Si16 -","8","1","","Arz, Marius I.; Straßmann, Martin; Geiß, Daniel; Schnakenburg, Gregor; Filippou, Alexander C.","Addition of Small Electrophiles to N-Heterocyclic-Carbene-Stabilized Disilicon(0): A Revisit of the Isolobal Concept in Low-Valent Silicon Chemistry.","Journal of the American Chemical Society","2016","138","13","4589","4600","10.1021/jacs.6b01018","","","0.71073","MoKα","","0.0745","0.049","","","0.1035","0.1116","","","","","","0.915","","","","has coordinates,has disorder","182496","2020-10-21","18:00:00",""
"4124997","17.9849","0.0006","22.4945","0.001","21.353","0.0007","90","","95.132","0.003","90","","8604","0.6","123","2","123","2","","","","","","","","7","I 1 2/a 1","-I 2ya","15","","","","- C86 H84 B F24 N4 Na Si2 -","- C86 H84 B F24.006 N4 Na Si2 -","- C344 H336 B4 F96.024 N16 Na4 Si8 -","4","0.5","","Arz, Marius I.; Straßmann, Martin; Geiß, Daniel; Schnakenburg, Gregor; Filippou, Alexander C.","Addition of Small Electrophiles to N-Heterocyclic-Carbene-Stabilized Disilicon(0): A Revisit of the Isolobal Concept in Low-Valent Silicon Chemistry.","Journal of the American Chemical Society","2016","138","13","4589","4600","10.1021/jacs.6b01018","","","0.71073","MoKα","","0.1439","0.0452","","","0.0989","0.1331","","","","","","0.698","","","","has coordinates,has disorder","182496","2020-10-21","18:00:00",""
"4124998","12.5317","0.0004","16.8752","0.0005","21.5506","0.0007","81.388","0.003","74.544","0.002","87.162","0.002","4342.8","0.2","123","2","123","2","","","","","","","","6","P -1","-P 1","2","","","","- C87 H87 B F24 N4 Si2 -","- C87 H87 B F24 N4 Si2 -","- C174 H174 B2 F48 N8 Si4 -","2","1","","Arz, Marius I.; Straßmann, Martin; Geiß, Daniel; Schnakenburg, Gregor; Filippou, Alexander C.","Addition of Small Electrophiles to N-Heterocyclic-Carbene-Stabilized Disilicon(0): A Revisit of the Isolobal Concept in Low-Valent Silicon Chemistry.","Journal of the American Chemical Society","2016","138","13","4589","4600","10.1021/jacs.6b01018","","","0.71073","MoKα","","0.0797","0.0531","","","0.1397","0.1515","","","","","","1.05","","","","has coordinates,has disorder","182496","2020-10-21","18:00:00",""
"4124999","12.6984","0.0004","16.103","0.0005","21.2179","0.0007","86.027","0.003","88.262","0.002","89.457","0.003","4326.1","0.2","123","2","123","2","","","","","","","","6","P -1","-P 1","2","","","","- C88 H89 B F24 N4 Si2 -","- C88 H89 B F24.003 N4 Si2 -","- C176 H178 B2 F48.006 N8 Si4 -","2","1","","Arz, Marius I.; Straßmann, Martin; Geiß, Daniel; Schnakenburg, Gregor; Filippou, Alexander C.","Addition of Small Electrophiles to N-Heterocyclic-Carbene-Stabilized Disilicon(0): A Revisit of the Isolobal Concept in Low-Valent Silicon Chemistry.","Journal of the American Chemical Society","2016","138","13","4589","4600","10.1021/jacs.6b01018","","","0.71073","MoKα","","0.0878","0.0497","","","0.1177","0.1277","","","","","","0.922","","","","has coordinates,has disorder","182496","2020-10-21","18:00:00",""
"4125000","22.2131","0.0007","10.9141","0.0003","24.0009","0.0007","90","","108.11","0.002","90","","5530.4","0.3","150","1","150","1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","pjs257","","","- C50.5 H79 Br2 Cl P4 Pt2 -","- C50.5 H79 Br2 Cl P4 Pt2 -","- C202 H316 Br8 Cl4 P16 Pt8 -","4","1","","Yan, Xuzhou; Wang, Ming; Cook, Timothy R.; Zhang, Mingming; Saha, Manik Lal; Zhou, Zhixuan; Li, Xiaopeng; Huang, Feihe; Stang, Peter J.","Light-Emitting Superstructures with Anion Effect: Coordination-Driven Self-Assembly of Pure Tetraphenylethylene Metallacycles and Metallacages.","Journal of the American Chemical Society","2016","138","13","4580","4588","10.1021/jacs.6b00846","","","0.71073","MoKα","","0.044","0.033","","","0.0599","0.0633","","","","","","1.051","","","","has coordinates,has disorder","182494","2020-10-21","18:00:00",""
"4125001","24.1826","0.0009","24.3191","0.0009","29.0112","0.001","83.595","0.002","83.303","0.002","85.177","0.002","16795.6","1.1","150","1","150","1","","","","","","","","6","P -1","-P 1","2","pjs256","","","- C50 H78 N2 O6 P4 Pt2 -","- C50 H78 N2 O6 P4 Pt2 -","- C600 H936 N24 O72 P48 Pt24 -","12","6","","Yan, Xuzhou; Wang, Ming; Cook, Timothy R.; Zhang, Mingming; Saha, Manik Lal; Zhou, Zhixuan; Li, Xiaopeng; Huang, Feihe; Stang, Peter J.","Light-Emitting Superstructures with Anion Effect: Coordination-Driven Self-Assembly of Pure Tetraphenylethylene Metallacycles and Metallacages.","Journal of the American Chemical Society","2016","138","13","4580","4588","10.1021/jacs.6b00846","","","0.71073","MoKα","","0.0708","0.0376","","","0.0632","0.0726","","","","","","1.032","","","","has coordinates,has disorder","182494","2020-10-21","18:00:00",""
"4125002","19.4712","0.0002","14.5386","0.0002","18.715","0.0002","90","","105.386","0.0005","90","","5108.04","0.1","150","","150","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C52 H74 B2 N5 Sn -","- C52 H74 B2 N5 Sn -","- C208 H296 B8 N20 Sn4 -","4","1","","Protchenko, Andrey V.; Bates, Joshua I.; Saleh, Liban M. A.; Blake, Matthew P.; Schwarz, Andrew D.; Kolychev, Eugene L.; Thompson, Amber L.; Jones, Cameron; Mountford, Philip; Aldridge, Simon","Enabling and Probing Oxidative Addition and Reductive Elimination at a Group 14 Metal Center: Cleavage and Functionalization of E-H Bonds by a Bis(boryl)stannylene.","Journal of the American Chemical Society","2016","138","13","4555","4564","10.1021/jacs.6b00710","","","0.71073","MoKα","","0.0577","0.0475","","0.1302","0.1173","0.1298","","","","","","0.9265","","","","has coordinates","182495","2020-10-21","18:00:00",""
"4125003","20.3402","0.0002","12.8395","0.0001","22.829","0.0003","90","","102.9","0.0011","90","","5811.51","0.11","150","","150","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Sn{B(NArCH)2}2NtBu","","- C57.5 H86.5 B2 N5 Sn -","- C57.5 H86.5 B2 N5 Sn -","- C230 H346 B8 N20 Sn4 -","4","1","","Protchenko, Andrey V.; Bates, Joshua I.; Saleh, Liban M. A.; Blake, Matthew P.; Schwarz, Andrew D.; Kolychev, Eugene L.; Thompson, Amber L.; Jones, Cameron; Mountford, Philip; Aldridge, Simon","Enabling and Probing Oxidative Addition and Reductive Elimination at a Group 14 Metal Center: Cleavage and Functionalization of E-H Bonds by a Bis(boryl)stannylene.","Journal of the American Chemical Society","2016","138","13","4555","4564","10.1021/jacs.6b00710","","","1.5418","CuKα","","0.0412","0.0368","","0.0292","0.0274","0.0269","","","","","","1.0373","","","","has coordinates","182495","2020-10-21","18:00:00",""
"4125004","12.6324","0.0002","20.8368","0.0003","19.7169","0.0003","90","","95.4397","0.0014","90","","5166.49","0.14","150","","150","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C52 H74 B2 N4 Sn -","- C52 H74 B2 N4 Sn -","- C208 H296 B8 N16 Sn4 -","4","1","","Protchenko, Andrey V.; Bates, Joshua I.; Saleh, Liban M. A.; Blake, Matthew P.; Schwarz, Andrew D.; Kolychev, Eugene L.; Thompson, Amber L.; Jones, Cameron; Mountford, Philip; Aldridge, Simon","Enabling and Probing Oxidative Addition and Reductive Elimination at a Group 14 Metal Center: Cleavage and Functionalization of E-H Bonds by a Bis(boryl)stannylene.","Journal of the American Chemical Society","2016","138","13","4555","4564","10.1021/jacs.6b00710","","","1.5418","CuKα","","0.0424","0.039","","0.0395","0.0389","0.0386","","","","","","1.1417","","","","has coordinates,has disorder","182495","2020-10-21","18:00:00",""
"4125005","12.527","0.0004","12.6173","0.0005","21.1768","0.0008","79.505","0.003","89.404","0.003","60.709","0.004","2858.2","0.2","150","","150","","","","","","","","","6","P -1","-P 1","2","","Sn{B(NArCH)2}2(SiH2Ph)","","- C58 H80 B2 N4 Si Sn -","- C58 H80 B2 N4 Si Sn -","- C116 H160 B4 N8 Si2 Sn2 -","2","1","","Protchenko, Andrey V.; Bates, Joshua I.; Saleh, Liban M. A.; Blake, Matthew P.; Schwarz, Andrew D.; Kolychev, Eugene L.; Thompson, Amber L.; Jones, Cameron; Mountford, Philip; Aldridge, Simon","Enabling and Probing Oxidative Addition and Reductive Elimination at a Group 14 Metal Center: Cleavage and Functionalization of E-H Bonds by a Bis(boryl)stannylene.","Journal of the American Chemical Society","2016","138","13","4555","4564","10.1021/jacs.6b00710","","","1.5418","CuKα","","0.0658","0.0614","","0.0767","0.0721","0.0712","","","","","","1.1063","","","","has coordinates","182495","2020-10-21","18:00:00",""
"4125006","14.136","0.0002","16.8914","0.0002","25.9133","0.0004","90","","99.1667","0.0012","90","","6108.48","0.15","150","","150","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Sn{B(NArCH)2}2(H)(BH2NMe3)","","- C55 H84 B3 N5 Sn -","- C55 H84 B3 N5 Sn -","- C220 H336 B12 N20 Sn4 -","4","1","","Protchenko, Andrey V.; Bates, Joshua I.; Saleh, Liban M. A.; Blake, Matthew P.; Schwarz, Andrew D.; Kolychev, Eugene L.; Thompson, Amber L.; Jones, Cameron; Mountford, Philip; Aldridge, Simon","Enabling and Probing Oxidative Addition and Reductive Elimination at a Group 14 Metal Center: Cleavage and Functionalization of E-H Bonds by a Bis(boryl)stannylene.","Journal of the American Chemical Society","2016","138","13","4555","4564","10.1021/jacs.6b00710","","","1.5418","CuKα","","0.043","0.0412","","0.0505","0.0492","0.0488","","","","","","1.0796","","","","has coordinates,has disorder","182495","2020-10-21","18:00:00",""
"4125007","21.22087","0.00016","12.54026","0.00011","19.63737","0.00017","90","","97.8858","0.0008","90","","5176.39","0.08","150","","150","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Sn{B(NArCH)2}2(OH)(H)","","- C52 H74 B2 N4 O Sn -","- C52 H74 B2 N4 O Sn -","- C208 H296 B8 N16 O4 Sn4 -","4","1","","Protchenko, Andrey V.; Bates, Joshua I.; Saleh, Liban M. A.; Blake, Matthew P.; Schwarz, Andrew D.; Kolychev, Eugene L.; Thompson, Amber L.; Jones, Cameron; Mountford, Philip; Aldridge, Simon","Enabling and Probing Oxidative Addition and Reductive Elimination at a Group 14 Metal Center: Cleavage and Functionalization of E-H Bonds by a Bis(boryl)stannylene.","Journal of the American Chemical Society","2016","138","13","4555","4564","10.1021/jacs.6b00710","","","1.54184","CuKα","","0.05","0.0491","","0.0464","0.0461","0.0459","","","","","","1.1057","","","","has coordinates,has disorder","182495","2020-10-21","18:00:00",""
"4125008","21.2882","0.0003","12.5521","0.0002","19.6851","0.0002","90","","98.1681","0.0013","90","","5206.73","0.12","150","","150","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C52 H75 B2 N5 Sn -","- C52 H75 B2 N5 Sn -","- C208 H300 B8 N20 Sn4 -","4","1","","Protchenko, Andrey V.; Bates, Joshua I.; Saleh, Liban M. A.; Blake, Matthew P.; Schwarz, Andrew D.; Kolychev, Eugene L.; Thompson, Amber L.; Jones, Cameron; Mountford, Philip; Aldridge, Simon","Enabling and Probing Oxidative Addition and Reductive Elimination at a Group 14 Metal Center: Cleavage and Functionalization of E-H Bonds by a Bis(boryl)stannylene.","Journal of the American Chemical Society","2016","138","13","4555","4564","10.1021/jacs.6b00710","","","1.5418","CuKα","","0.054","0.0515","","0.1147","0.1133","0.1147","","","","","","1.1366","","","","has coordinates,has disorder","182495","2020-10-21","18:00:00",""
"4125009","14.0818","0.0003","12.3113","0.0002","15.8745","0.0002","90","","99.2666","0.0015","90","","2716.17","0.08","150","","150","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","[Sn{B(NArCH)2}(NH2)]2","","- C52 H75 B2 N6 Sn2 -","- C52 H75 B2 N6 Sn2 -","- C104 H150 B4 N12 Sn4 -","2","0.5","","Protchenko, Andrey V.; Bates, Joshua I.; Saleh, Liban M. A.; Blake, Matthew P.; Schwarz, Andrew D.; Kolychev, Eugene L.; Thompson, Amber L.; Jones, Cameron; Mountford, Philip; Aldridge, Simon","Enabling and Probing Oxidative Addition and Reductive Elimination at a Group 14 Metal Center: Cleavage and Functionalization of E-H Bonds by a Bis(boryl)stannylene.","Journal of the American Chemical Society","2016","138","13","4555","4564","10.1021/jacs.6b00710","","","1.5418","CuKα","","0.0232","0.0223","","0.0236","0.0233","0.0231","","","","","","1.0475","","","","has coordinates,has disorder","182495","2020-10-21","18:00:00",""
"4125010","17.8585","0.0001","43.5512","0.0002","19.1937","0.0001","90","","117.11","0.0003","90","","13288","0.12","150","","150","","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C55 H77 B2 K N5 Sn -","- C55 H77 B2 K N5 Sn -","- C440 H616 B16 K8 N40 Sn8 -","8","2","","Protchenko, Andrey V.; Bates, Joshua I.; Saleh, Liban M. A.; Blake, Matthew P.; Schwarz, Andrew D.; Kolychev, Eugene L.; Thompson, Amber L.; Jones, Cameron; Mountford, Philip; Aldridge, Simon","Enabling and Probing Oxidative Addition and Reductive Elimination at a Group 14 Metal Center: Cleavage and Functionalization of E-H Bonds by a Bis(boryl)stannylene.","Journal of the American Chemical Society","2016","138","13","4555","4564","10.1021/jacs.6b00710","","","0.71073","MoKα","","0.0941","0.0576","","0.1812","0.1433","0.1812","","","","","","0.9674","","","","has coordinates","182495","2020-10-21","18:00:00",""
"4125011","24.6958","0.0002","14.9348","0.0001","33.1882","0.0004","90","","94.4855","0.0009","90","","12203.2","0.2","150","","150","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C108 H144 N8 Sn10.81 -","- C104 H144 B4 N8 Sn10.8087 -","- C416 H576 B16 N32 Sn43.2348 -","4","1","","Protchenko, Andrey V.; Bates, Joshua I.; Saleh, Liban M. A.; Blake, Matthew P.; Schwarz, Andrew D.; Kolychev, Eugene L.; Thompson, Amber L.; Jones, Cameron; Mountford, Philip; Aldridge, Simon","Enabling and Probing Oxidative Addition and Reductive Elimination at a Group 14 Metal Center: Cleavage and Functionalization of E-H Bonds by a Bis(boryl)stannylene.","Journal of the American Chemical Society","2016","138","13","4555","4564","10.1021/jacs.6b00710","","","0.7107","MoKα","","0.0625","0.0465","","0.0985","0.0871","0.098","","","","","","1","","","","has coordinates,has disorder","182495","2020-10-21","18:00:00",""
"4125012","11.3674","0.0001","18.7715","0.0001","24.657","0.0002","90","","90","","90","","5261.39","0.07","150","","150","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","Sn{BN2(Ar)2C2H2}Cl2","","- C52 H72 B2 Cl2 N4 Sn -","- C52 H72 B2 Cl2 N4 Sn -","- C208 H288 B8 Cl8 N16 Sn4 -","4","1","","Protchenko, Andrey V.; Bates, Joshua I.; Saleh, Liban M. A.; Blake, Matthew P.; Schwarz, Andrew D.; Kolychev, Eugene L.; Thompson, Amber L.; Jones, Cameron; Mountford, Philip; Aldridge, Simon","Enabling and Probing Oxidative Addition and Reductive Elimination at a Group 14 Metal Center: Cleavage and Functionalization of E-H Bonds by a Bis(boryl)stannylene.","Journal of the American Chemical Society","2016","138","13","4555","4564","10.1021/jacs.6b00710","","","0.71073","MoKα","","0.038","0.0328","","0.0391","0.034","0.0329","","","","","","0.9499","","","","has coordinates","182495","2020-10-21","18:00:00",""
"4125013","15.5841","0.0002","12.2901","0.0001","18.1568","0.0002","90","","99.2133","0.001","90","","3432.71","0.07","150","","150","","","","","","","",".?","4","P 1 21/n 1","-P 2yn","14","","Si(NDipp)(SiMe3)Si(SiMe3)3(NH2)H","","- C24 H56 N2 Si6 -","- C24 H56 N2 Si6 -","- C96 H224 N8 Si24 -","4","1","","Protchenko, Andrey V.; Bates, Joshua I.; Saleh, Liban M. A.; Blake, Matthew P.; Schwarz, Andrew D.; Kolychev, Eugene L.; Thompson, Amber L.; Jones, Cameron; Mountford, Philip; Aldridge, Simon","Enabling and Probing Oxidative Addition and Reductive Elimination at a Group 14 Metal Center: Cleavage and Functionalization of E-H Bonds by a Bis(boryl)stannylene.","Journal of the American Chemical Society","2016","138","13","4555","4564","10.1021/jacs.6b00710","","","1.5418","CuKα","","0.0313","0.0268","","0.0303","0.0283","0.0278","","","","","","1.0878","","","","has coordinates","182495","2020-10-21","18:00:00",""
"4125014","14.7357","0.0004","9.6701","0.0002","18.1354","0.0005","90","","113.934","0.003","90","","2362.01","0.12","150","","150","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C24 B F20 K -","- C24 B F20 K -","- C96 B4 F80 K4 -","4","2","","Protchenko, Andrey V.; Bates, Joshua I.; Saleh, Liban M. A.; Blake, Matthew P.; Schwarz, Andrew D.; Kolychev, Eugene L.; Thompson, Amber L.; Jones, Cameron; Mountford, Philip; Aldridge, Simon","Enabling and Probing Oxidative Addition and Reductive Elimination at a Group 14 Metal Center: Cleavage and Functionalization of E-H Bonds by a Bis(boryl)stannylene.","Journal of the American Chemical Society","2016","138","13","4555","4564","10.1021/jacs.6b00710","","","1.5418","CuKα","","0.0489","0.0467","","0.1192","0.1172","0.1192","","","","","","0.9923","","","","has coordinates","182495","2020-10-21","18:00:00",""
"4125015","11.3662","0.0001","19.9462","0.0002","20.7654","0.0003","90","","91.3439","0.001","90","","4706.48","0.09","150","","150","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C47 H72 B N3 Si Sn -","- C47 H72 B N3 Si Sn -","- C188 H288 B4 N12 Si4 Sn4 -","4","2","","Protchenko, Andrey V.; Bates, Joshua I.; Saleh, Liban M. A.; Blake, Matthew P.; Schwarz, Andrew D.; Kolychev, Eugene L.; Thompson, Amber L.; Jones, Cameron; Mountford, Philip; Aldridge, Simon","Enabling and Probing Oxidative Addition and Reductive Elimination at a Group 14 Metal Center: Cleavage and Functionalization of E-H Bonds by a Bis(boryl)stannylene.","Journal of the American Chemical Society","2016","138","13","4555","4564","10.1021/jacs.6b00710","","","1.5418","CuKα","","0.0489","0.0483","","0.0518","0.0515","0.0514","","","","","","1.0186","","","","has coordinates","182495","2020-10-21","18:00:00",""
"4125016","9.893","0.001","12.1163","0.0011","16.2448","0.0015","96.775","0.007","101.149","0.008","95.448","0.008","1883.2","0.3","193","","","","","","","","","","see text","3","P -1","-P 1","2","","","","- C90 H74 I4 -","- C90 H74 I4 -","- C90 H74 I4 -","1","0.5","","Dumslaff, Tim; Yang, Bo; Maghsoumi, Ali; Velpula, Gangamallaiah; Mali, Kunal S.; Castiglioni, Chiara; De Feyter, Steven; Tommasini, Matteo; Narita, Akimitsu; Feng, Xinliang; Müllen, Klaus","Adding Four Extra K-Regions to Hexa-peri-hexabenzocoronene.","Journal of the American Chemical Society","2016","138","14","4726","4729","10.1021/jacs.6b01976","","x-ray","0.71073","MoKα","","","","","","","","","","","","","","","","","has coordinates","211179","2020-10-21","18:00:00",""
"4125017","5.633","0.002","16.777","0.007","21.917","0.008","90","","90","","90","","2071.3","1.4","100","","100","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C23 H25 Br O3 -","- C23 H25 Br O3 -","- C92 H100 Br4 O12 -","4","1","","Amador, Adrian G.; Sherbrook, Evan M.; Yoon, Tehshik P.","Enantioselective Photocatalytic [3 + 2] Cycloadditions of Aryl Cyclopropyl Ketones.","Journal of the American Chemical Society","2016","138","14","4722","4725","10.1021/jacs.6b01728","","x-ray","0.71073","MoKα","","0.0449","0.0365","","","0.0858","0.0885","","","","","","1.068","","","","has coordinates","182505","2020-10-21","18:00:00",""
"4125018","11.7388","0.0001","11.7388","0.0001","27.4082","0.0004","90","","90","","120","","3270.83","0.06","123","2","123","2","","","","","","","","5","P 31 2 1","P 31 2""","152","","","","- C24 H20 F N5 O4 -","- C24 H20 F N5 O4 -","- C144 H120 F6 N30 O24 -","6","1","","Piotrowski, David W.; Kamlet, Adam S.; Dechert-Schmitt, Anne-Marie R; Yan, Jiangli; Brandt, Thomas A.; Xiao, Jun; Wei, Liuqing; Barrila, Mark T.","Regio- and Enantioselective Synthesis of Azole Hemiaminal Esters by Lewis Base Catalyzed Dynamic Kinetic Resolution.","Journal of the American Chemical Society","2016","138","14","4818","4823","10.1021/jacs.6b00207","","","1.54178","CuKα","","0.039","0.0382","","","0.0952","0.0961","","","","","","1.051","","","","has coordinates,has disorder","182503","2020-10-21","18:00:00",""
"4125019","7.9189","0.0002","8.9993","0.0002","9.5359","0.0003","86.5842","0.0012","82.182","0.0011","76.2332","0.0011","653.65","0.03","273","2","273","2","","","","","","","","4","P -1","-P 1","2","","","","- C12 H14 N4 O3 -","- C12 H14 N4 O3 -","- C24 H28 N8 O6 -","2","1","","Piotrowski, David W.; Kamlet, Adam S.; Dechert-Schmitt, Anne-Marie R; Yan, Jiangli; Brandt, Thomas A.; Xiao, Jun; Wei, Liuqing; Barrila, Mark T.","Regio- and Enantioselective Synthesis of Azole Hemiaminal Esters by Lewis Base Catalyzed Dynamic Kinetic Resolution.","Journal of the American Chemical Society","2016","138","14","4818","4823","10.1021/jacs.6b00207","","","1.54178","CuKα","","0.0463","0.0391","","","0.0972","0.1022","","","","","","0.965","","","","has coordinates","182503","2020-10-21","18:00:00",""
"4125020","4.5885","0.0004","10.0115","0.0009","16.2053","0.0013","90","","90.413","0.005","90","","744.42","0.11","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C10 H13 I N6 O3 -","- C10 H13 I N6 O3 -","- C20 H26 I2 N12 O6 -","2","1","","Piotrowski, David W.; Kamlet, Adam S.; Dechert-Schmitt, Anne-Marie R; Yan, Jiangli; Brandt, Thomas A.; Xiao, Jun; Wei, Liuqing; Barrila, Mark T.","Regio- and Enantioselective Synthesis of Azole Hemiaminal Esters by Lewis Base Catalyzed Dynamic Kinetic Resolution.","Journal of the American Chemical Society","2016","138","14","4818","4823","10.1021/jacs.6b00207","","","1.54178","CuKα","","0.0511","0.0355","","","0.0787","0.0864","","","","","","1.039","","","","has coordinates","182503","2020-10-21","18:00:00",""
"4125021","8.2767","0.0003","8.2767","0.0003","5.1763","0.0004","90","","90","","120","","307.09","0.03","120","2","120","2","","","","","","","","5","P 3 2 1","P 3 2""","150","","","","- O14 P2 Sr3 Te Zn3 -","- O14 P2 Sr3 Te Zn3 -","- O14 P2 Sr3 Te Zn3 -","1","0.166667","","Yu, Hongwei; Young, Joshua; Wu, Hongping; Zhang, Weiguo; Rondinelli, James M.; Halasyamani, P. Shiv","Electronic, Crystal Chemistry, and Nonlinear Optical Property Relationships in the Dugganite A3B3CD2O14 Family.","Journal of the American Chemical Society","2016","138","14","4984","4989","10.1021/jacs.6b02203","","","0.71073","MoKα","","0.0217","0.0208","","","0.0447","0.0453","","","","","","1.096","","","","has coordinates","182504","2020-10-21","18:00:00",""
"4125022","8.4744","0.0003","8.4744","0.0003","5.2818","0.0004","90","","90","","120","","328.5","0.03","293","2","293","2","","","","","","","","5","P 3 2 1","P 3 2""","150","","","","- Ba3 O14 P2 Te Zn3 -","- Ba3 O14 P2 Te Zn3 -","- Ba3 O14 P2 Te Zn3 -","1","0.166667","","Yu, Hongwei; Young, Joshua; Wu, Hongping; Zhang, Weiguo; Rondinelli, James M.; Halasyamani, P. Shiv","Electronic, Crystal Chemistry, and Nonlinear Optical Property Relationships in the Dugganite A3B3CD2O14 Family.","Journal of the American Chemical Society","2016","138","14","4984","4989","10.1021/jacs.6b02203","","","0.71073","MoKα","","0.0161","0.0161","","","0.0375","0.0375","","","","","","1.174","","","","has coordinates","182504","2020-10-21","18:00:00",""
"4125023","8.3831","0.0003","8.3831","0.0003","5.193","0.0004","90","","90","","120","","316.05","0.03","293","2","293","2","","","","","","","","5","P 3 2 1","P 3 2""","150","","","","- O14 P2 Pb3 Te Zn3 -","- O14 P2 Pb3 Te Zn3 -","- O14 P2 Pb3 Te Zn3 -","1","0.166667","","Yu, Hongwei; Young, Joshua; Wu, Hongping; Zhang, Weiguo; Rondinelli, James M.; Halasyamani, P. Shiv","Electronic, Crystal Chemistry, and Nonlinear Optical Property Relationships in the Dugganite A3B3CD2O14 Family.","Journal of the American Chemical Society","2016","138","14","4984","4989","10.1021/jacs.6b02203","","","0.71073","MoKα","","0.0208","0.0206","","","0.0531","0.0533","","","","","","1.095","","","","has coordinates","182504","2020-10-21","18:00:00",""
"4125024","8.4072","0.0004","8.4072","0.0004","5.2158","0.0005","90","","90","","120","","319.27","0.04","296","2","296","2","","","","","","","","5","P 3 2 1","P 3 2""","150","","","","- Mg3 O14 P2 Pb3 Te -","- Mg3 O14 P2 Pb3 Te -","- Mg3 O14 P2 Pb3 Te -","1","0.166667","","Yu, Hongwei; Young, Joshua; Wu, Hongping; Zhang, Weiguo; Rondinelli, James M.; Halasyamani, P. Shiv","Electronic, Crystal Chemistry, and Nonlinear Optical Property Relationships in the Dugganite A3B3CD2O14 Family.","Journal of the American Chemical Society","2016","138","14","4984","4989","10.1021/jacs.6b02203","","","0.71073","MoKα","","0.0144","0.014","","","0.0328","0.033","","","","","","0.958","","","","has coordinates","182504","2020-10-21","18:00:00",""
"4125025","8.4151","0.0003","8.4151","0.0003","5.17","0.0004","90","","90","","120","","317.06","0.03","293","2","293","2","","","","","","","","5","P 3 2 1","P 3 2""","150","","","","- O14 P2 Pb3 W Zn3 -","- O14 P2 Pb3 W Zn3 -","- O14 P2 Pb3 W Zn3 -","1","0.166667","","Yu, Hongwei; Young, Joshua; Wu, Hongping; Zhang, Weiguo; Rondinelli, James M.; Halasyamani, P. Shiv","Electronic, Crystal Chemistry, and Nonlinear Optical Property Relationships in the Dugganite A3B3CD2O14 Family.","Journal of the American Chemical Society","2016","138","14","4984","4989","10.1021/jacs.6b02203","","","0.71073","MoKα","","0.017","0.017","","","0.0402","0.0402","","","","","","1.197","","","","has coordinates","182504","2020-10-21","18:00:00",""
"4125026","8.608","0.002","8.608","0.002","5.186","0.003","90","","90","","120","","332.8","0.2","293","2","293","2","","","","","","","","5","P 3 2 1","P 3 2""","150","","","","- O14 Pb3 Te V2 Zn3 -","- O14 Pb3 Te V2 Zn3 -","- O14 Pb3 Te V2 Zn3 -","1","0.166667","","Yu, Hongwei; Young, Joshua; Wu, Hongping; Zhang, Weiguo; Rondinelli, James M.; Halasyamani, P. Shiv","Electronic, Crystal Chemistry, and Nonlinear Optical Property Relationships in the Dugganite A3B3CD2O14 Family.","Journal of the American Chemical Society","2016","138","14","4984","4989","10.1021/jacs.6b02203","","","0.71073","MoKα","","0.0429","0.0425","","","0.0974","0.0977","","","","","","1.152","","","","has coordinates","182504","2020-10-21","18:00:00",""
"4125027","6.4872","0.0004","18.0297","0.0012","8.1708","0.0006","90","","90.0076","0.0017","90","","955.68","0.11","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C25 H22 S -","- C25 H22 S -","- C50 H44 S2 -","2","1","","Wang, Yi-Ming; Buchwald, Stephen L.","Enantioselective CuH-Catalyzed Hydroallylation of Vinylarenes.","Journal of the American Chemical Society","2016","138","15","5024","5027","10.1021/jacs.6b02527","","","0.71073","MoKα","","0.0311","0.0303","","","0.0802","0.081","","","","","","1.049","","","","has coordinates,has disorder","182498","2020-10-21","18:00:00",""
"4125028","8.3686","0.0004","25.6303","0.0012","9.8925","0.0004","90","","90.036","0.003","90","","2121.84","0.17","90","2","90","2","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","TerarylB2O4-1","","- C30 H16 B2 O4 -","- C30 H16 B2 O4 -","- C120 H64 B8 O16 -","4","1","","Katayama, Takazumi; Nakatsuka, Soichiro; Hirai, Hiroki; Yasuda, Nobuhiro; Kumar, Jatish; Kawai, Tsuyoshi; Hatakeyama, Takuji","Two-Step Synthesis of Boron-Fused Double Helicenes.","Journal of the American Chemical Society","2016","138","16","5210","5213","10.1021/jacs.6b01674","","","0.78202","synchrotron","","0.0537","0.0342","","","0.0789","0.095","","","","","","1.062","","","","has coordinates","182500","2020-10-21","18:00:00",""
"4125029","6.0162","0.0003","17.8089","0.0007","16.1195","0.0005","90","","94.191","0.003","90","","1722.46","0.12","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C17 H24 O Si -","- C17 H24 O Si -","- C68 H96 O4 Si4 -","4","2","","Nguyen, Khoa D.; Herkommer, Daniel; Krische, Michael J.","Ruthenium-BINAP Catalyzed Alcohol C-H tert-Prenylation via 1,3-Enyne Transfer Hydrogenation: Beyond Stoichiometric Carbanions in Enantioselective Carbonyl Propargylation.","Journal of the American Chemical Society","2016","138","16","5238","5241","10.1021/jacs.6b02279","","","1.54184","CuKα","","0.0529","0.043","","","0.103","0.1107","","","","","","1.03","","","","has coordinates","182499","2020-10-21","18:00:00",""
"4125030","6.0238","0.0003","8.4261","0.0005","32.0021","0.0009","90","","90","","90","","1624.34","0.13","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H24 O2 Si -","- C16 H24 O2 Si -","- C64 H96 O8 Si4 -","4","1","","Nguyen, Khoa D.; Herkommer, Daniel; Krische, Michael J.","Ruthenium-BINAP Catalyzed Alcohol C-H tert-Prenylation via 1,3-Enyne Transfer Hydrogenation: Beyond Stoichiometric Carbanions in Enantioselective Carbonyl Propargylation.","Journal of the American Chemical Society","2016","138","16","5238","5241","10.1021/jacs.6b02279","","","1.54184","CuKα","","0.0237","0.0234","","","0.0615","0.0618","","","","","","1.048","","","","has coordinates","182499","2020-10-21","18:00:00",""
"4125031","37.726","0.004","37.726","0.004","37.726","0.004","90","","90","","90","","53694","10","296","2","296","2","","","","","","","","5","F -4 3 m","F -4 2 3","216","","","","- C240 H0 I0 O28 Zn10 -","- C240 O28 Zn10 -","- C960 O112 Zn40 -","4","0.0416667","","Zhang, Qiongqiong; Zhang, Cankun; Cao, Lingyun; Wang, Zi; An, Bing; Lin, Zekai; Huang, Ruiyun; Zhang, Zhiming; Wang, Cheng; Lin, Wenbin","Förster Energy Transport in Metal-Organic Frameworks Is Beyond Step-by-Step Hopping.","Journal of the American Chemical Society","2016","138","16","5308","5315","10.1021/jacs.6b01345","","","0.41328","","","0.1399","0.1266","","","0.386","0.3964","","","","","","1.681","","","","has coordinates","182501","2020-10-21","18:00:00",""
"4125032","35.755","0.004","35.755","0.004","35.755","0.004","90","","90","","90","","45710","9","293","2","293","2","","","","","","","","3","I 21 3","I 2b 2c 3","199","","","","- C60 O13 Zn4 -","- C60 O13 Zn4 -","- C480 O104 Zn32 -","8","0.333333","","Zhang, Qiongqiong; Zhang, Cankun; Cao, Lingyun; Wang, Zi; An, Bing; Lin, Zekai; Huang, Ruiyun; Zhang, Zhiming; Wang, Cheng; Lin, Wenbin","Förster Energy Transport in Metal-Organic Frameworks Is Beyond Step-by-Step Hopping.","Journal of the American Chemical Society","2016","138","16","5308","5315","10.1021/jacs.6b01345","","","0.41328","","","0.0625","0.0605","","","0.1506","0.1534","","","","","","1.353","","","","has coordinates","182501","2020-10-21","18:00:00",""
"4125033","16.6101","0.0003","11.2973","0.0002","9.2725","0.0001","90","","90","","90","","1739.98","0.05","280","","280","","","","","","","","","4","P n m a","-P 2ac 2n","62","","tetra(n-butyl)ammonium silver(I) bis(dicyanoargentate)","","- C12 H20 Ag3 N5 -","- C12 H20 Ag3 N5 -","- C48 H80 Ag12 N20 -","4","0.5","","Hill, Joshua A.; Thompson, Amber L.; Goodwin, Andrew L.","Dicyanometallates as Model Extended Frameworks.","Journal of the American Chemical Society","2016","138","18","5886","5896","10.1021/jacs.5b13446","","","1.54184","CuKα","","0.0268","0.0258","","0.067","0.0661","0.067","","","","","","0.951","","","","has coordinates,has disorder","183564","2020-10-21","18:00:00",""
"4125034","16.2798","0.0002","13.9248","0.0002","18.0439","0.0002","90","","106.082","0.0005","90","","3930.35","0.09","150","","150","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","tetra(n-butylammonium) cadmium dicyanoargentate","","- C26 H36 Ag5 Cd2 N11 -","- C26 H36 Ag5 Cd2 N11 -","- C104 H144 Ag20 Cd8 N44 -","4","0.5","","Hill, Joshua A.; Thompson, Amber L.; Goodwin, Andrew L.","Dicyanometallates as Model Extended Frameworks.","Journal of the American Chemical Society","2016","138","18","5886","5896","10.1021/jacs.5b13446","","","0.71073","MoKα","","0.0251","0.022","","0.0504","0.0493","0.0504","","","","","","1.0249","","","","has coordinates","183564","2020-10-21","18:00:00",""
"4125035","27.9505","0.0006","15.0898","0.0004","13.4803","0.0003","90","","96.629","0.002","90","","5647.5","0.2","30","","30","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","bis(triphenylphosphoranylidene)ammonium copper dicyanoaurate ethanolate","","- C50 H42 Au5 Cu2 N11 O2 P2 -","- C50 H42 Au5 Cu2 N11 O2 P2 -","- C200 H168 Au20 Cu8 N44 O8 P8 -","4","0.5","","Hill, Joshua A.; Thompson, Amber L.; Goodwin, Andrew L.","Dicyanometallates as Model Extended Frameworks.","Journal of the American Chemical Society","2016","138","18","5886","5896","10.1021/jacs.5b13446","","","0.6889","Synchrotron","","0.046","0.0372","","0.0898","0.0839","0.0898","","","","","","0.9915","","","","has coordinates,has disorder","183564","2020-10-21","18:00:00",""
"4125036","28.37","0.0003","15.6843","0.0002","13.9176","0.0001","90","","99.6092","0.001","90","","6105.94","0.11","300","","300","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","bis(triphenylphosphoranylidene)ammonium manganese dicyanoargentate ethanolate","","- C50 H42 Ag5 Mn2 N11 O2 P2 -","- C50 H42 Ag5 Mn2 N11 O2 P2 -","- C200 H168 Ag20 Mn8 N44 O8 P8 -","4","0.5","","Hill, Joshua A.; Thompson, Amber L.; Goodwin, Andrew L.","Dicyanometallates as Model Extended Frameworks.","Journal of the American Chemical Society","2016","138","18","5886","5896","10.1021/jacs.5b13446","","","1.54184","CuKα","","0.0351","0.0282","","0.0718","0.0673","0.0718","","","","","","1.0497","","","","has coordinates,has disorder","183564","2020-10-21","18:00:00",""
"4125037","28.5577","0.0008","15.835","0.0004","13.9531","0.0004","90","","99.31","0.003","90","","6226.6","0.3","282","","282","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","bis(triphenylphosphoranylidene)ammonium cadmium dicyanoargentate ethanolate","","- C50 H42 Ag5 Cd2 N11 O2 P2 -","- C50 H42 Ag5 Cd2 N11 O2 P2 -","- C200 H168 Ag20 Cd8 N44 O8 P8 -","4","0.5","","Hill, Joshua A.; Thompson, Amber L.; Goodwin, Andrew L.","Dicyanometallates as Model Extended Frameworks.","Journal of the American Chemical Society","2016","138","18","5886","5896","10.1021/jacs.5b13446","","","1.5418","CuKα","","0.0452","0.04","","0.1212","0.1148","0.1212","","","","","","0.958","","","","has coordinates,has disorder","183564","2020-10-21","18:00:00",""
"4125038","21.7394","0.0003","21.7394","0.0003","21.7394","0.0003","90","","90","","90","","10274.1","0.2","150","","150","","","","","","","","","7","P a -3","-P 2ac 2ab 3","205","","bis(triphenylphosphoranylidene)ammonium cadmium dicyanoaurate ethanolate","","- C48 H48.87 Ag3 Cd N7 O3.44 P2 -","- C48 H48.873 Ag3 Cd N7 O3.437 P2 -","- C384 H390.984 Ag24 Cd8 N56 O27.496 P16 -","8","0.333333","","Hill, Joshua A.; Thompson, Amber L.; Goodwin, Andrew L.","Dicyanometallates as Model Extended Frameworks.","Journal of the American Chemical Society","2016","138","18","5886","5896","10.1021/jacs.5b13446","","","0.71073","MoKα","","0.049","0.0377","","0.0875","0.082","0.0875","","","","","","1.067","","","","has coordinates,has disorder","183564","2020-10-21","18:00:00",""
"4125039","16.7035","0.0003","12.5777","0.0003","20.6707","0.0004","90","","92.5382","0.001","90","","4338.48","0.15","150","","150","","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","bis(triphenylphosphoranylidene)ammonium manganese dicyanoaurate","","- C42 H30 Au3 Mn N7 P2 -","- C42 H30 Au3 Mn N7 P2 -","- C168 H120 Au12 Mn4 N28 P8 -","4","0.5","","Hill, Joshua A.; Thompson, Amber L.; Goodwin, Andrew L.","Dicyanometallates as Model Extended Frameworks.","Journal of the American Chemical Society","2016","138","18","5886","5896","10.1021/jacs.5b13446","","","0.71073","MoKα","","0.0435","0.0312","","0.0717","0.0668","0.0717","","","","","","0.9881","","","","has coordinates","183564","2020-10-21","18:00:00",""
"4125040","16.8455","0.0003","12.7383","0.0003","20.8965","0.0003","90","","92.3725","0.0016","90","","4480.19","0.15","292","","292","","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","bis(triphenylphosphoranylidene)ammonium cadmium dicyanoaurate","","- C42 H30 Au3 Cd N7 P2 -","- C42 H30 Au3 Cd N7 P2 -","- C168 H120 Au12 Cd4 N28 P8 -","4","0.5","","Hill, Joshua A.; Thompson, Amber L.; Goodwin, Andrew L.","Dicyanometallates as Model Extended Frameworks.","Journal of the American Chemical Society","2016","138","18","5886","5896","10.1021/jacs.5b13446","","","1.54184","CuKα","","0.027","0.0226","","0.0549","0.0525","0.0549","","","","","","0.9997","","","","has coordinates","183564","2020-10-21","18:00:00",""
"4125041","9.7335","0.0003","11.0381","0.0005","17.0129","0.0005","73.058","0.003","81.926","0.002","79.666","0.003","1712.6","0.11","280","0.2","280","0.2","","","","","","","","5","P -1","-P 1","2","","bis(triphenylphosphoranylidene)ammonium dicyanoaurate","","- C38 H30 Au N3 P2 -","- C38 H30 Au N3 P2 -","- C76 H60 Au2 N6 P4 -","2","1","","Hill, Joshua A.; Thompson, Amber L.; Goodwin, Andrew L.","Dicyanometallates as Model Extended Frameworks.","Journal of the American Chemical Society","2016","138","18","5886","5896","10.1021/jacs.5b13446","","","1.54184","CuKα","","0.022","0.0207","","0.0534","0.0524","0.0533","","","","","","0.9995","","","","has coordinates,has disorder","183564","2020-10-21","18:00:00",""
"4125042","9.7325","0.001","10.9975","0.0014","17.099","0.002","73.5","0.011","82.138","0.009","80.19","0.01","1721.6","0.4","280","0.4","280","0.4","","","","","","","","5","P -1","-P 1","2","","bis(triphenylphosphoranylidene)ammonium dicyanoargentate","","- C38 H30 Ag N3 P2 -","- C38 H30.0005 Ag N3 P2 -","- C76 H60.001 Ag2 N6 P4 -","2","1","","Hill, Joshua A.; Thompson, Amber L.; Goodwin, Andrew L.","Dicyanometallates as Model Extended Frameworks.","Journal of the American Chemical Society","2016","138","18","5886","5896","10.1021/jacs.5b13446","","","1.54184","CuKα","","0.0522","0.0333","","0.0852","0.0803","0.0852","","","","","","0.7792","","","","has coordinates,has disorder","183564","2020-10-21","18:00:00",""
"4125043","9.2263","0.0012","12.2376","0.0016","15.729","0.002","67.311","0.002","76.135","0.002","84.352","0.002","1590.7","0.4","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","","","- C64 H102 Cl2 P2 Pd -","- C64 H102 Cl2 P2 Pd -","- C64 H102 Cl2 P2 Pd -","1","0.5","","Reid, William B.; Spillane, Jesse J.; Krause, Sarah B.; Watson, Donald A.","Direct Synthesis of Alkenyl Boronic Esters from Unfunctionalized Alkenes: A Boryl-Heck Reaction.","Journal of the American Chemical Society","2016","138","17","5539","5542","10.1021/jacs.6b02914","","","0.71073","MoKα","","0.0418","0.0349","","","0.0826","0.0865","","","","","","1.038","","","","has coordinates","183577","2020-10-21","18:00:00",""
"4125044","7.7614","0.0004","7.9275","0.0004","12.9954","0.0006","88.676","0.002","77.819","0.002","80.925","0.002","771.76","0.07","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C16 H18 N4 O2 -","- C16 H18 N4 O2 -","- C32 H36 N8 O4 -","2","1","","Zha, R. Helen; de Waal, Bas F. M.; Lutz, Martin; Teunissen, Abraham J. P.; Meijer, E. W.","End Groups of Functionalized Siloxane Oligomers Direct Block-Copolymeric or Liquid-Crystalline Self-Assembly Behavior.","Journal of the American Chemical Society","2016","138","17","5693","5698","10.1021/jacs.6b02172","","","0.71073","MoKα","","0.0382","0.0347","","","0.0889","0.0914","","","","","","1.051","","","","has coordinates","183578","2020-10-21","18:00:00",""
"4125045","18.6699","0.0009","18.7951","0.0009","33.5586","0.0016","90","","94.656","0.002","90","","11736.9","1","100","2","100.02","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C235 H215 N33 O57 -","- C235 H215 N33 O57 -","- C470 H430 N66 O114 -","2","1","","Nalluri, Siva Krishna Mohan; Liu, Zhichang; Wu, Yilei; Hermann, Keith R.; Samanta, Avik; Kim, Dong Jun; Krzyaniak, Matthew D.; Wasielewski, Michael R.; Stoddart, J. Fraser","Chiral Redox-Active Isosceles Triangles.","Journal of the American Chemical Society","2016","138","18","5968","5977","10.1021/jacs.6b02086","","","1.54178","CuKα","","0.0825","0.0703","","","0.1912","0.2023","","","","","","1.055","","","","has coordinates,has disorder","183566","2020-10-21","18:00:00",""
"4125046","9.2311","0.0004","18.4418","0.0007","37.1578","0.0014","90","","90","","90","","6325.7","0.4","100","2","99.99","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C64 H56 Br8 N6 O12 -","- C64 H56 Br8 N6 O12 -","- C256 H224 Br32 N24 O48 -","4","1","","Nalluri, Siva Krishna Mohan; Liu, Zhichang; Wu, Yilei; Hermann, Keith R.; Samanta, Avik; Kim, Dong Jun; Krzyaniak, Matthew D.; Wasielewski, Michael R.; Stoddart, J. Fraser","Chiral Redox-Active Isosceles Triangles.","Journal of the American Chemical Society","2016","138","18","5968","5977","10.1021/jacs.6b02086","","","1.54178","CuKα","","0.1038","0.1034","","","0.2685","0.2688","","","","","","1.108","","","","has coordinates,has disorder","183566","2020-10-21","18:00:00",""
"4125047","10.9429","0.0018","6.4395","0.0012","13.07","0.003","90","","102.48","0.006","90","","899.2","0.3","133","2","133","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C18 H30 O2 Si -","- C18 H30 O2 Si -","- C36 H60 O4 Si2 -","2","1","","Johnson, Trevor C.; Chin, Matthew R.; Han, Tianxu; Shen, John Paul; Rana, Tariq; Siegel, Dionicio","Synthesis of Eupalinilide E, a Promoter of Human Hematopoietic Stem and Progenitor Cell Expansion.","Journal of the American Chemical Society","2016","138","18","6068","6073","10.1021/jacs.6b03055","","","0.71073","MoKα","","0.0926","0.0606","","","0.1078","0.1184","","","","","","1.062","","","","has coordinates","183565","2020-10-21","18:00:00",""
"4125048","10.8442","0.001","10.9095","0.0012","19.879","0.002","76.875","0.006","76.263","0.006","78.772","0.006","2200.1","0.4","100","1","100","1","","","","","","","","6","P -1","-P 1","2","","","","- C41 H74 Ce N3 O2 Si2 -","- C41 H74 Ce N3 O2 Si2 -","- C82 H148 Ce2 N6 O4 Si4 -","2","1","","Yin, Haolin; Carroll, Patrick J.; Manor, Brian C.; Anna, Jessica M.; Schelter, Eric J.","Cerium Photosensitizers: Structure-Function Relationships and Applications in Photocatalytic Aryl Coupling Reactions.","Journal of the American Chemical Society","2016","138","18","5984","5993","10.1021/jacs.6b02248","","","0.71073","MoKα","","0.0553","0.0484","","","0.1132","0.122","","","","","","1.102","","","","has coordinates","183567","2020-10-21","18:00:00",""
"4125049","12.4517","0.0008","13.3196","0.0009","15.2765","0.0017","97.319","0.004","102.877","0.004","114.368","0.003","2180.2","0.3","100","1","100","1","","","","","","","","6","P -1","-P 1","2","","","","- C57 H140 Ce2 I2 N12 Si8 -","- C57 H140 Ce2 I2 N12 Si8 -","- C57 H140 Ce2 I2 N12 Si8 -","1","0.5","","Yin, Haolin; Carroll, Patrick J.; Manor, Brian C.; Anna, Jessica M.; Schelter, Eric J.","Cerium Photosensitizers: Structure-Function Relationships and Applications in Photocatalytic Aryl Coupling Reactions.","Journal of the American Chemical Society","2016","138","18","5984","5993","10.1021/jacs.6b02248","","","0.71073","MoKα","","0.028","0.0239","","","0.0561","0.06","","","","","","1.135","","","","has coordinates,has disorder","183567","2020-10-21","18:00:00",""
"4125050","13.6334","0.0004","14.3685","0.0004","16.3214","0.0005","111.454","0.001","93.753","0.001","110.532","0.001","2716.95","0.14","100","1","100","1","","","","","","","","5","P -1","-P 1","2","","","","- C32 H82 Ce N7 Si6 -","- C32 H82 Ce N7 Si6 -","- C64 H164 Ce2 N14 Si12 -","2","1","","Yin, Haolin; Carroll, Patrick J.; Manor, Brian C.; Anna, Jessica M.; Schelter, Eric J.","Cerium Photosensitizers: Structure-Function Relationships and Applications in Photocatalytic Aryl Coupling Reactions.","Journal of the American Chemical Society","2016","138","18","5984","5993","10.1021/jacs.6b02248","","","0.71073","MoKα","","0.0191","0.0174","","","0.0428","0.0434","","","","","","1.069","","","","has coordinates","183567","2020-10-21","18:00:00",""
"4125051","14.627","0.0003","21.5464","0.0005","16.9923","0.0004","90","","106.141","0.001","90","","5144.2","0.2","100","1","100","1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C40 H85 Ce N6 O Si4 -","- C40 H85 Ce N6 O Si4 -","- C160 H340 Ce4 N24 O4 Si16 -","4","1","","Yin, Haolin; Carroll, Patrick J.; Manor, Brian C.; Anna, Jessica M.; Schelter, Eric J.","Cerium Photosensitizers: Structure-Function Relationships and Applications in Photocatalytic Aryl Coupling Reactions.","Journal of the American Chemical Society","2016","138","18","5984","5993","10.1021/jacs.6b02248","","","0.71073","MoKα","","0.0206","0.0182","","","0.0436","0.0452","","","","","","1.06","","","","has coordinates","183567","2020-10-21","18:00:00",""
"4125052","14.4193","0.0004","22.9467","0.0007","17.0665","0.0005","90","","97.255","0.001","90","","5601.7","0.3","100","1","100","1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C39 H96 Ce N9 Si6 -","- C39 H96 Ce N9 Si6 -","- C156 H384 Ce4 N36 Si24 -","4","1","","Yin, Haolin; Carroll, Patrick J.; Manor, Brian C.; Anna, Jessica M.; Schelter, Eric J.","Cerium Photosensitizers: Structure-Function Relationships and Applications in Photocatalytic Aryl Coupling Reactions.","Journal of the American Chemical Society","2016","138","18","5984","5993","10.1021/jacs.6b02248","","","0.71073","MoKα","","0.0709","0.056","","","0.1244","0.133","","","","","","1.036","","","","has coordinates","183567","2020-10-21","18:00:00",""
"4125053","23.2747","0.0016","18.2692","0.0012","24.82","0.0017","90","","115.313","0.003","90","","9540.4","1.1","100","1","100","1","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C73 H112 B Ce Cl4 F24 N9 Si6 -","- C73 H112 B Ce Cl4 F24 N9 Si6 -","- C292 H448 B4 Ce4 Cl16 F96 N36 Si24 -","4","1","","Yin, Haolin; Carroll, Patrick J.; Manor, Brian C.; Anna, Jessica M.; Schelter, Eric J.","Cerium Photosensitizers: Structure-Function Relationships and Applications in Photocatalytic Aryl Coupling Reactions.","Journal of the American Chemical Society","2016","138","18","5984","5993","10.1021/jacs.6b02248","","","0.71073","MoKα","","0.0964","0.058","","","0.1444","0.1652","","","","","","1.021","","","","has coordinates","183567","2020-10-21","18:00:00",""
"4125054","15.9152","0.0012","15.6395","0.0011","18.7462","0.0013","90","","91.845","0.004","90","","4663.6","0.6","100","1","100","1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C27 H76 Ce Cl3 N4 Si6 -","- C27 H76 Ce Cl3 N4 Si6 -","- C108 H304 Ce4 Cl12 N16 Si24 -","4","1","","Yin, Haolin; Carroll, Patrick J.; Manor, Brian C.; Anna, Jessica M.; Schelter, Eric J.","Cerium Photosensitizers: Structure-Function Relationships and Applications in Photocatalytic Aryl Coupling Reactions.","Journal of the American Chemical Society","2016","138","18","5984","5993","10.1021/jacs.6b02248","","","0.71073","MoKα","","0.0399","0.0364","","","0.1218","0.1237","","","","","","1.192","","","","has coordinates","183567","2020-10-21","18:00:00",""
"4125055","9.5507","","9.5507","","7.0155","","90","","90","","120","","554.191","","300","","300","","","","","","","","","3","P 63/m","-P 6c","176","","","","- Nd9.553 O25.776 Si6 -","- Nd9.552 O25.776 Si6 -","- Nd9.552 O25.776 Si6 -","1","0.0833333","","An, Tao; Baikie, Tom; Orera, Alodia; Piltz, Ross O.; Meven, Martin; Slater, Peter R.; Wei, Jun; Sanjuán, María L; White, T. J.","Interstitial Oxide Ion Distribution and Transport Mechanism in Aluminum-Doped Neodymium Silicate Apatite Electrolytes.","Journal of the American Chemical Society","2016","138","13","4468","4483","10.1021/jacs.5b13409","","neutron","0.71069","neutron","","0.0655","0.0376","","","0.0366","0.0386","","","","1.9","1.9","1.74","","","","has coordinates","182469","2020-10-21","18:00:00",""
"4125056","9.5507","","9.5507","","7.0155","","90","","90","","120","","554.191","","573","","573","","","","","","","","","3","P 63/m","-P 6c","176","","","","- Nd9.606 O25.924 Si6 -","- Nd9.608 O25.924 Si6 -","- Nd9.608 O25.924 Si6 -","1","0.0833333","","An, Tao; Baikie, Tom; Orera, Alodia; Piltz, Ross O.; Meven, Martin; Slater, Peter R.; Wei, Jun; Sanjuán, María L; White, T. J.","Interstitial Oxide Ion Distribution and Transport Mechanism in Aluminum-Doped Neodymium Silicate Apatite Electrolytes.","Journal of the American Chemical Society","2016","138","13","4468","4483","10.1021/jacs.5b13409","","neutron","0.71069","neutron","","0.1243","0.0625","","","0.0515","0.0556","","","","2.24","2.24","1.99","","","","has coordinates","182470","2020-10-21","18:00:00",""
"4125057","9.5611","","9.5611","","7.0607","","90","","90","","120","","558.977","","100","","100","","","","","","","","","4","P 63/m","-P 6c","176","","","","- Al1.5 Nd9.959 O26 Si4.5 -","- Al1.5 Nd9.96 O26 Si4.5 -","- Al1.5 Nd9.96 O26 Si4.5 -","1","0.0833333","","An, Tao; Baikie, Tom; Orera, Alodia; Piltz, Ross O.; Meven, Martin; Slater, Peter R.; Wei, Jun; Sanjuán, María L; White, T. J.","Interstitial Oxide Ion Distribution and Transport Mechanism in Aluminum-Doped Neodymium Silicate Apatite Electrolytes.","Journal of the American Chemical Society","2016","138","13","4468","4483","10.1021/jacs.5b13409","","neutron","0.71069","neutron","","0.0639","0.0361","","","0.0668","0.0702","","","","1.99","1.99","1.83","","","","has coordinates","182471","2020-10-21","18:00:00",""
"4125058","9.5507","","9.5507","","7.0155","","90","","90","","120","","554.191","","4","","4","","","","","","","","","3","P 63/m","-P 6c","176","","","","- Nd9.605 O25.789 Si6 -","- Nd9.604 O25.79 Si6 -","- Nd9.604 O25.79 Si6 -","1","0.0833333","","An, Tao; Baikie, Tom; Orera, Alodia; Piltz, Ross O.; Meven, Martin; Slater, Peter R.; Wei, Jun; Sanjuán, María L; White, T. J.","Interstitial Oxide Ion Distribution and Transport Mechanism in Aluminum-Doped Neodymium Silicate Apatite Electrolytes.","Journal of the American Chemical Society","2016","138","13","4468","4483","10.1021/jacs.5b13409","","neutron","0.71069","neutron","","0.0572","0.0391","","","0.0772","0.08","","","","2.08","2.08","1.95","","","","has coordinates","182472","2020-10-21","18:00:00",""
"4125059","9.5507","","9.5507","","7.0155","","90","","90","","120","","554.191","","100","","100","","","","","","","","","3","P 63/m","-P 6c","176","","","","- Nd9.58 O25.84 Si6 -","- Nd9.58 O25.84 Si6 -","- Nd9.58 O25.84 Si6 -","1","0.0833333","","An, Tao; Baikie, Tom; Orera, Alodia; Piltz, Ross O.; Meven, Martin; Slater, Peter R.; Wei, Jun; Sanjuán, María L; White, T. J.","Interstitial Oxide Ion Distribution and Transport Mechanism in Aluminum-Doped Neodymium Silicate Apatite Electrolytes.","Journal of the American Chemical Society","2016","138","13","4468","4483","10.1021/jacs.5b13409","","neutron","0.71069","neutron","","0.0667","0.0405","","","0.0434","0.0453","","","","2.19","2.19","2.02","","","","has coordinates","182473","2020-10-21","18:00:00",""
"4125060","9.553","","9.553","","7.0496","","90","","90","","120","","557.153","","100","","100","","","","","","","","","4","P 63/m","-P 6c","176","","","","- Al Nd9.906 O26 Si5 -","- Al0.9996 Nd9.908 O26 Si5.0004 -","- Al0.9996 Nd9.908 O26 Si5.0004 -","1","0.0833333","","An, Tao; Baikie, Tom; Orera, Alodia; Piltz, Ross O.; Meven, Martin; Slater, Peter R.; Wei, Jun; Sanjuán, María L; White, T. J.","Interstitial Oxide Ion Distribution and Transport Mechanism in Aluminum-Doped Neodymium Silicate Apatite Electrolytes.","Journal of the American Chemical Society","2016","138","13","4468","4483","10.1021/jacs.5b13409","","neutron","0.71069","neutron","","0.0605","0.0437","","","0.0842","0.0863","","","","2.32","2.32","2.17","","","","has coordinates","182474","2020-10-21","18:00:00",""
"4125061","9.5515","","9.5515","","7.042","","90","","90","","120","","556.378","","100","","100","","","","","","","","","4","P 63/m","-P 6c","176","","","","- Al0.5 Nd9.652 O26 Si5.5 -","- Al0.4998 Nd9.652 O26 Si5.5002 -","- Al0.4998 Nd9.652 O26 Si5.5002 -","1","0.0833333","","An, Tao; Baikie, Tom; Orera, Alodia; Piltz, Ross O.; Meven, Martin; Slater, Peter R.; Wei, Jun; Sanjuán, María L; White, T. J.","Interstitial Oxide Ion Distribution and Transport Mechanism in Aluminum-Doped Neodymium Silicate Apatite Electrolytes.","Journal of the American Chemical Society","2016","138","13","4468","4483","10.1021/jacs.5b13409","","neutron","0.71069","neutron","","0.0917","0.0435","","","0.0448","0.0493","","","","1.93","1.93","1.76","","","","has coordinates","182475","2020-10-21","18:00:00",""
"4125062","9.5507","","9.5507","","7.0155","","90","","90","","120","","554.191","","773","","773","","","","","","","","","3","P 63/m","-P 6c","176","","","","- Nd9.569 O25.905 Si6 -","- Nd9.568 O25.904 Si6 -","- Nd9.568 O25.904 Si6 -","1","0.0833333","","An, Tao; Baikie, Tom; Orera, Alodia; Piltz, Ross O.; Meven, Martin; Slater, Peter R.; Wei, Jun; Sanjuán, María L; White, T. J.","Interstitial Oxide Ion Distribution and Transport Mechanism in Aluminum-Doped Neodymium Silicate Apatite Electrolytes.","Journal of the American Chemical Society","2016","138","13","4468","4483","10.1021/jacs.5b13409","","neutron","0.71069","neutron","","0.1287","0.0579","","","0.0498","0.0544","","","","2.23","2.23","1.94","","","","has coordinates","182476","2020-10-21","18:00:00",""
"4125063","6.0559","0.0008","12.211","0.0013","16.663","0.002","104.66","0.003","95.819","0.004","103.157","0.003","1144.1","0.2","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H24 B F10 N -","- C24 H24 B F10 N -","- C48 H48 B2 F20 N2 -","2","1","","Wang, Tongdao; Kehr, Gerald; Liu, Lei; Grimme, Stefan; Daniliuc, Constantin G.; Erker, Gerhard","Selective Oxidation of an Active Intramolecular Amine/Borane Frustrated Lewis Pair with Dioxygen.","Journal of the American Chemical Society","2016","138","13","4302","4305","10.1021/jacs.6b00325","","","0.71073","MoKα","","0.1191","0.0572","","","0.095","0.113","","","","","","1.021","","","","has coordinates","182477","2020-10-21","18:00:00",""
"4125064","10.9865","0.0002","11.3039","0.0002","12.1268","0.0003","111.608","0.001","90.925","0.001","116.464","0.001","1223.73","0.05","223","2","223","2","","","","","","","","6","P -1","-P 1","2","","","","- C24 H26 B F10 N O -","- C24 H26 B F10 N O -","- C48 H52 B2 F20 N2 O2 -","2","1","","Wang, Tongdao; Kehr, Gerald; Liu, Lei; Grimme, Stefan; Daniliuc, Constantin G.; Erker, Gerhard","Selective Oxidation of an Active Intramolecular Amine/Borane Frustrated Lewis Pair with Dioxygen.","Journal of the American Chemical Society","2016","138","13","4302","4305","10.1021/jacs.6b00325","","","0.71073","MoKα","","0.063","0.05","","","0.1099","0.1211","","","","","","1.017","","","","has coordinates","182477","2020-10-21","18:00:00",""
"4125065","9.3348","0.0004","18.8671","0.0007","15.8074","0.0006","90","","91.077","0.001","90","","2783.52","0.19","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C29 H30 B F10 N -","- C29 H30 B F10 N -","- C116 H120 B4 F40 N4 -","4","1","","Wang, Tongdao; Kehr, Gerald; Liu, Lei; Grimme, Stefan; Daniliuc, Constantin G.; Erker, Gerhard","Selective Oxidation of an Active Intramolecular Amine/Borane Frustrated Lewis Pair with Dioxygen.","Journal of the American Chemical Society","2016","138","13","4302","4305","10.1021/jacs.6b00325","","","0.71073","MoKα","","0.0438","0.0353","","","0.0863","0.0917","","","","","","1.051","","","","has coordinates","182477","2020-10-21","18:00:00",""
"4125066","12.3941","0.0004","19.3768","0.0006","17.7912","0.0007","90","","99.37","0.001","90","","4215.7","0.3","223","2","223","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C36 H25 B2 F20 N -","- C36 H25 B2 F20 N -","- C144 H100 B8 F80 N4 -","4","1","","Wang, Tongdao; Kehr, Gerald; Liu, Lei; Grimme, Stefan; Daniliuc, Constantin G.; Erker, Gerhard","Selective Oxidation of an Active Intramolecular Amine/Borane Frustrated Lewis Pair with Dioxygen.","Journal of the American Chemical Society","2016","138","13","4302","4305","10.1021/jacs.6b00325","","","0.71073","MoKα","","0.1237","0.0891","","","0.2212","0.2379","","","","","","1.103","","","","has coordinates,has disorder","182477","2020-10-21","18:00:00",""
"4125067","36.0335","0.0007","8.0228","0.0002","19.5293","0.0005","90","","121.688","0.001","90","","4804.1","0.2","223","2","223","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C24 H26 B F10 N -","- C24 H26 B F10 N -","- C192 H208 B8 F80 N8 -","8","1","","Wang, Tongdao; Kehr, Gerald; Liu, Lei; Grimme, Stefan; Daniliuc, Constantin G.; Erker, Gerhard","Selective Oxidation of an Active Intramolecular Amine/Borane Frustrated Lewis Pair with Dioxygen.","Journal of the American Chemical Society","2016","138","13","4302","4305","10.1021/jacs.6b00325","","","0.71073","MoKα","","0.073","0.0535","","","0.099","0.1125","","","","","","1.098","","","","has coordinates","182477","2020-10-21","18:00:00",""
"4125068","12.633","0.0004","22.0052","0.0007","17.6449","0.0005","90","","104.135","0.001","90","","4756.6","0.3","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C48 H48 B2 F20 N2 O2 -","- C48 H48 B2 F20 N2 O2 -","- C192 H192 B8 F80 N8 O8 -","4","1","","Wang, Tongdao; Kehr, Gerald; Liu, Lei; Grimme, Stefan; Daniliuc, Constantin G.; Erker, Gerhard","Selective Oxidation of an Active Intramolecular Amine/Borane Frustrated Lewis Pair with Dioxygen.","Journal of the American Chemical Society","2016","138","13","4302","4305","10.1021/jacs.6b00325","","","0.71073","MoKα","","0.0556","0.0378","","","0.0808","0.0895","","","","","","1.028","","","","has coordinates,has disorder","182477","2020-10-21","18:00:00",""
"4125069","9.548","0.002","10.705","0.003","12.059","0.003","87.745","0.003","67.638","0.002","83.773","0.003","1133.1","0.5","296","2","296","2","","","","","","","","6","P 1","P 1","1","","","","- C22 H23 F3 N O5 P -","- C22 H23 F3 N O5 P -","- C44 H46 F6 N2 O10 P2 -","2","2","","Morisaki, Kazuhiro; Sawa, Masanao; Yonesaki, Ryohei; Morimoto, Hiroyuki; Mashima, Kazushi; Ohshima, Takashi","Mechanistic Studies and Expansion of the Substrate Scope of Direct Enantioselective Alkynylation of α-Ketiminoesters Catalyzed by Adaptable (Phebox)Rhodium(III) Complexes.","Journal of the American Chemical Society","2016","138","19","6194","6203","10.1021/jacs.6b01590","","","0.71073","MoKα","","0.0396","0.0395","","","0.1029","0.103","","","","","","1.038","","","","has coordinates","183576","2020-10-21","18:00:00",""
"4125070","10.73","0.0014","14.3916","0.0019","18.13","0.002","90","","90","","90","","2799.7","0.6","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C34 H27 N2 O4 Rh -","- C34 H27 N2 O4 Rh -","- C136 H108 N8 O16 Rh4 -","4","1","","Morisaki, Kazuhiro; Sawa, Masanao; Yonesaki, Ryohei; Morimoto, Hiroyuki; Mashima, Kazushi; Ohshima, Takashi","Mechanistic Studies and Expansion of the Substrate Scope of Direct Enantioselective Alkynylation of α-Ketiminoesters Catalyzed by Adaptable (Phebox)Rhodium(III) Complexes.","Journal of the American Chemical Society","2016","138","19","6194","6203","10.1021/jacs.6b01590","","","0.71073","MoKα","","0.0178","0.0175","","","0.0451","0.0453","","","","","","1.05","","","","has coordinates","183576","2020-10-21","18:00:00",""
"4125071","5.73","0.0008","20.761","0.003","8.5902","0.0012","90","","100.442","0.002","90","","1005","0.2","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C24 H20 N2 O4 S -","- C24 H20 N2 O4 S -","- C48 H40 N4 O8 S2 -","2","1","","Morisaki, Kazuhiro; Sawa, Masanao; Yonesaki, Ryohei; Morimoto, Hiroyuki; Mashima, Kazushi; Ohshima, Takashi","Mechanistic Studies and Expansion of the Substrate Scope of Direct Enantioselective Alkynylation of α-Ketiminoesters Catalyzed by Adaptable (Phebox)Rhodium(III) Complexes.","Journal of the American Chemical Society","2016","138","19","6194","6203","10.1021/jacs.6b01590","","","0.71073","MoKα","","0.0663","0.064","","","0.1806","0.1849","","","","","","1.517","","","","has coordinates","183576","2020-10-21","18:00:00",""
"4125072","4.358","0.0009","14.881","0.003","7.59","0.0015","90","","90","","90","","492.22","0.17","153","2","153","2","","","","","","","","3","P m c 21","P 2c -2","26","","","","- Ba Hg Se2 -","- Ba Hg Se2 -","- Ba4 Hg4 Se8 -","4","1","","Li, Chao; Yin, Wenlong; Gong, Pifu; Li, Xiaoshuang; Zhou, Molin; Mar, Arthur; Lin, Zheshuai; Yao, Jiyong; Wu, Yicheng; Chen, Chuangtian","Trigonal Planar [HgSe3](4-) Unit: A New Kind of Basic Functional Group in IR Nonlinear Optical Materials with Large Susceptibility and Physicochemical Stability.","Journal of the American Chemical Society","2016","138","19","6135","6138","10.1021/jacs.6b03107","","","0.71073","MoKα","","0.0883","0.0679","","","0.133","0.1445","","","","","","0.99","","","","has coordinates","183575","2020-10-21","18:00:00",""
"4125073","21.179","0.005","18.427","0.004","14.466","0.003","90","","99.82","0.003","90","","5563","2","93","2","93","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C32 H40 B2 O2 -","- C32 H40 B2 O2 -","- C256 H320 B16 O16 -","8","1","","Kojima, Chiemi; Lee, Ka-Ho; Lin, Zhenyang; Yamashita, Makoto","Direct and Base-Catalyzed Diboration of Alkynes Using the Unsymmetrical Diborane(4), pinB-BMes2.","Journal of the American Chemical Society","2016","138","20","6662","6669","10.1021/jacs.6b03686","","","0.71075","MoKα","","0.0984","0.0737","","","0.1698","0.1887","","","","","","1.103","","","","has coordinates","183569","2020-10-21","18:00:00",""
"4125074","9.147","0.003","9.787","0.003","31.937","0.01","90","","90","","90","","2859.1","1.6","93","2","93","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C32 H40 B2 O2 -","- C32 H40 B2 O2 -","- C128 H160 B8 O8 -","4","1","","Kojima, Chiemi; Lee, Ka-Ho; Lin, Zhenyang; Yamashita, Makoto","Direct and Base-Catalyzed Diboration of Alkynes Using the Unsymmetrical Diborane(4), pinB-BMes2.","Journal of the American Chemical Society","2016","138","20","6662","6669","10.1021/jacs.6b03686","","","0.71075","MoKα","","0.088","0.0749","","","0.184","0.1978","","","","","","1.117","","","","has coordinates","183569","2020-10-21","18:00:00",""
"4125075","8.818","0.003","36.059","0.011","8.85","0.003","90","","90.252","0.004","90","","2814","1.6","93","2","93","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C32 H40 B2 O2 -","- C32 H40 B2 O2 -","- C128 H160 B8 O8 -","4","1","","Kojima, Chiemi; Lee, Ka-Ho; Lin, Zhenyang; Yamashita, Makoto","Direct and Base-Catalyzed Diboration of Alkynes Using the Unsymmetrical Diborane(4), pinB-BMes2.","Journal of the American Chemical Society","2016","138","20","6662","6669","10.1021/jacs.6b03686","","","0.71075","MoKα","","0.0821","0.0688","","","0.1603","0.1703","","","","","","1.143","","","","has coordinates","183569","2020-10-21","18:00:00",""
"4125076","15.857","0.003","10.022","0.0016","19.656","0.004","90","","111.004","0.003","90","","2916.2","0.9","93","2","93","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C32 H39 B2 Br O2 -","- C32 H39 B2 Br O2 -","- C128 H156 B8 Br4 O8 -","4","1","","Kojima, Chiemi; Lee, Ka-Ho; Lin, Zhenyang; Yamashita, Makoto","Direct and Base-Catalyzed Diboration of Alkynes Using the Unsymmetrical Diborane(4), pinB-BMes2.","Journal of the American Chemical Society","2016","138","20","6662","6669","10.1021/jacs.6b03686","","","0.71075","MoKα","","0.0712","0.056","","","0.1283","0.1387","","","","","","1.107","","","","has coordinates","183569","2020-10-21","18:00:00",""
"4125077","11.783","0.004","15.689","0.005","15.773","0.005","90","","99.815","0.005","90","","2873.2","1.6","93","2","93","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C32 H39 B2 Br O2 -","- C32 H39 B2 Br O2 -","- C128 H156 B8 Br4 O8 -","4","1","","Kojima, Chiemi; Lee, Ka-Ho; Lin, Zhenyang; Yamashita, Makoto","Direct and Base-Catalyzed Diboration of Alkynes Using the Unsymmetrical Diborane(4), pinB-BMes2.","Journal of the American Chemical Society","2016","138","20","6662","6669","10.1021/jacs.6b03686","","","0.71075","MoKα","","0.0567","0.0413","","","0.0904","0.0985","","","","","","1.007","","","","has coordinates","183569","2020-10-21","18:00:00",""
"4125078","23.103","0.003","16.332","0.0019","15.614","0.0019","90","","99.64","0.002","90","","5808.3","1.2","93","2","93","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C32 H39 B2 Br O2 -","- C32 H39 B2 Br O2 -","- C256 H312 B16 Br8 O16 -","8","1","","Kojima, Chiemi; Lee, Ka-Ho; Lin, Zhenyang; Yamashita, Makoto","Direct and Base-Catalyzed Diboration of Alkynes Using the Unsymmetrical Diborane(4), pinB-BMes2.","Journal of the American Chemical Society","2016","138","20","6662","6669","10.1021/jacs.6b03686","","","0.71075","MoKα","","0.0494","0.0389","","","0.0881","0.0943","","","","","","0.967","","","","has coordinates","183569","2020-10-21","18:00:00",""
"4125079","11.801","0.002","15.554","0.003","16.698","0.003","90","","104.974","0.003","90","","2960.9","0.9","93","2","93","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C32 H39 B2 Br O2 -","- C32 H39 B2 Br O2 -","- C128 H156 B8 Br4 O8 -","4","1","","Kojima, Chiemi; Lee, Ka-Ho; Lin, Zhenyang; Yamashita, Makoto","Direct and Base-Catalyzed Diboration of Alkynes Using the Unsymmetrical Diborane(4), pinB-BMes2.","Journal of the American Chemical Society","2016","138","20","6662","6669","10.1021/jacs.6b03686","","","0.71075","MoKα","","0.0728","0.0543","","","0.1249","0.1366","","","","","","1.074","","","","has coordinates","183569","2020-10-21","18:00:00",""
"4125080","9.667","0.003","11.589","0.004","14.115","0.004","90","","96.22","0.005","90","","1572","0.9","93","2","93","2","","","","","","","","5","P 1 n 1","P -2yac","7","","","","- C34 H45 B2 N O2 -","- C34 H45 B2 N O2 -","- C68 H90 B4 N2 O4 -","2","1","","Kojima, Chiemi; Lee, Ka-Ho; Lin, Zhenyang; Yamashita, Makoto","Direct and Base-Catalyzed Diboration of Alkynes Using the Unsymmetrical Diborane(4), pinB-BMes2.","Journal of the American Chemical Society","2016","138","20","6662","6669","10.1021/jacs.6b03686","","","0.71075","MoKα","","0.0659","0.0471","","","0.0963","0.106","","","","","","0.946","","","","has coordinates,has disorder","183569","2020-10-21","18:00:00",""
"4125081","21.448","0.004","18.667","0.004","14.378","0.003","90","","100.147","0.003","90","","5666","2","93","2","93","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C32 H39 B2 F O2 -","- C32 H39 B2 F O2 -","- C256 H312 B16 F8 O16 -","8","1","","Kojima, Chiemi; Lee, Ka-Ho; Lin, Zhenyang; Yamashita, Makoto","Direct and Base-Catalyzed Diboration of Alkynes Using the Unsymmetrical Diborane(4), pinB-BMes2.","Journal of the American Chemical Society","2016","138","20","6662","6669","10.1021/jacs.6b03686","","","0.71075","MoKα","","0.077","0.0542","","","0.1275","0.1445","","","","","","1.044","","","","has coordinates","183569","2020-10-21","18:00:00",""
"4125082","8.705","0.003","35.874","0.012","9.064","0.003","90","","90.276","0.003","90","","2830.5","1.7","93","2","93","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C32 H39 B2 F O2 -","- C32 H39 B2 F O2 -","- C128 H156 B8 F4 O8 -","4","1","","Kojima, Chiemi; Lee, Ka-Ho; Lin, Zhenyang; Yamashita, Makoto","Direct and Base-Catalyzed Diboration of Alkynes Using the Unsymmetrical Diborane(4), pinB-BMes2.","Journal of the American Chemical Society","2016","138","20","6662","6669","10.1021/jacs.6b03686","","","0.71075","MoKα","","0.0993","0.0794","","","0.186","0.2011","","","","","","1.148","","","","has coordinates","183569","2020-10-21","18:00:00",""
"4125083","14.316","0.003","14.506","0.002","15.944","0.003","90.042","0.002","112.231","0.003","94.799","0.002","3052.3","1","93.15","","93","2","","","","","","","","5","P -1","-P 1","2","","","","- C33 H39 B2 F3 O2 -","- C33 H39 B2 F3 O2 -","- C132 H156 B8 F12 O8 -","4","2","","Kojima, Chiemi; Lee, Ka-Ho; Lin, Zhenyang; Yamashita, Makoto","Direct and Base-Catalyzed Diboration of Alkynes Using the Unsymmetrical Diborane(4), pinB-BMes2.","Journal of the American Chemical Society","2016","138","20","6662","6669","10.1021/jacs.6b03686","","","0.71075","MoKα","","0.1097","0.0611","","","0.1369","0.1676","","","","","","0.979","","","","has coordinates,has disorder","183569","2020-10-21","18:00:00",""
"4125084","8.4771","0.0016","12.1269","0.0017","16.329","0.003","70.166","0.008","81.088","0.009","69.721","0.008","1479.9","0.5","93","2","93","2","","","","","","","","5","P -1","-P 1","2","","","","- C33 H39 B2 F3 O2 -","- C33 H39 B2 F3 O2 -","- C66 H78 B4 F6 O4 -","2","1","","Kojima, Chiemi; Lee, Ka-Ho; Lin, Zhenyang; Yamashita, Makoto","Direct and Base-Catalyzed Diboration of Alkynes Using the Unsymmetrical Diborane(4), pinB-BMes2.","Journal of the American Chemical Society","2016","138","20","6662","6669","10.1021/jacs.6b03686","","","0.71075","MoKα","","0.0802","0.0491","","","0.116","0.1436","","","","","","0.977","","","","has coordinates","183569","2020-10-21","18:00:00",""
"4125085","15.935","0.003","13.013","0.003","17.978","0.004","90","","112.28","0.008","90","","3449.6","1.3","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C41 H37 Au N O P -","- C41 H19 Au N O P -","- C164 H76 Au4 N4 O4 P4 -","4","1","","Hong, Eugene Yau-Hin; Poon, Chun-Ting; Yam, Vivian Wing-Wah","A Phosphole Oxide-Containing Organogold(III) Complex for Solution-Processable Resistive Memory Devices with Ternary Memory Performances.","Journal of the American Chemical Society","2016","138","20","6368","6371","10.1021/jacs.6b02629","","","0.71073","MoKα","","0.0541","0.0342","","","0.084","0.0892","","","","","","1.092","","","","has coordinates,has disorder","183571","2020-10-21","18:00:00",""
"4125086","9.1983","0.001","16.7173","0.0018","13.7123","0.0015","90","","90.549","0.002","90","","2108.5","0.4","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C10 H11 N O3 S -","- C10 H11 N O3 S -","- C80 H88 N8 O24 S8 -","8","4","","Huang, Yuan; Huang, Rui-Zhi; Zhao, Yu","Cobalt-Catalyzed Enantioselective Vinylation of Activated Ketones and Imines.","Journal of the American Chemical Society","2016","138","20","6571","6576","10.1021/jacs.6b02372","","","0.71073","MoKα","","0.0292","0.0285","","","0.0741","0.0746","","","","","","1.028","","","","has coordinates","183570","2020-10-21","18:00:00",""
"4125087","5.9854","0.0007","7.5004","0.0008","18.085","0.002","90","","97.565","0.004","90","","804.82","0.16","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C19 H17 Cl O3 -","- C19 H17 Cl O3 -","- C38 H34 Cl2 O6 -","2","1","","Huang, Yuan; Huang, Rui-Zhi; Zhao, Yu","Cobalt-Catalyzed Enantioselective Vinylation of Activated Ketones and Imines.","Journal of the American Chemical Society","2016","138","20","6571","6576","10.1021/jacs.6b02372","","","1.54178","CuKα","","0.0243","0.0233","","","0.058","0.0587","","","","","","1.031","","","","has coordinates","183570","2020-10-21","18:00:00",""
"4125088","5.8398","0.0002","21.5974","0.0008","23.1903","0.0008","90","","90","","90","","2924.86","0.18","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C11 H12 O3 -","- C11 H12 O3 -","- C132 H144 O36 -","12","3","","Huang, Yuan; Huang, Rui-Zhi; Zhao, Yu","Cobalt-Catalyzed Enantioselective Vinylation of Activated Ketones and Imines.","Journal of the American Chemical Society","2016","138","20","6571","6576","10.1021/jacs.6b02372","","","1.54178","CuKα","","0.0428","0.0377","","","0.0929","0.0962","","","","","","1.054","","","","has coordinates","190287","2020-10-21","18:00:00",""
"4125089","20.096","0.014","20.096","","16.372","0.014","90","","90","","120","","5726","6","296","2","296","2","","","","","","","","5","P 6/m m m","-P 6 2","191","","","","- C96 H54 O38 S3 Zr6 -","- C96 H54 O38 S3 Zr6 -","- C96 H54 O38 S3 Zr6 -","1","0.0416667","","Yuan, Shuai; Qin, Jun-Sheng; Zou, Lanfang; Chen, Ying-Pin; Wang, Xuan; Zhang, Qiang; Zhou, Hong-Cai","Thermodynamically Guided Synthesis of Mixed-Linker Zr-MOFs with Enhanced Tunability.","Journal of the American Chemical Society","2016","","","","","10.1021/jacs.6b03263","","","1.54184","CuKα","","0.2041","0.1396","","","0.2813","0.3253","","","","","","1.007","","","","has coordinates","183013","2020-10-21","18:00:00",""
"4125090","20.069","0.003","20.069","","18.917","0.004","90","","90","","120","","6598.3","1.7","296","2","296","2","","","","","","","","6","P 6/m m m","-P 6 2","191","","","","- C102 H54 N4 Ni O32 Zr6 -","- C102.72 H49.86 N4.08 Ni1.02 O30.08 Zr6 -","- C102.72 H49.86 N4.08 Ni1.02 O30.08 Zr6 -","1","0.0416667","","Yuan, Shuai; Qin, Jun-Sheng; Zou, Lanfang; Chen, Ying-Pin; Wang, Xuan; Zhang, Qiang; Zhou, Hong-Cai","Thermodynamically Guided Synthesis of Mixed-Linker Zr-MOFs with Enhanced Tunability.","Journal of the American Chemical Society","2016","","","","","10.1021/jacs.6b03263","","","1.54184","CuKα","","0.1475","0.1458","","","0.2875","0.2887","","","","","","1.009","","","","has coordinates,has disorder","183013","2020-10-21","18:00:00",""
"4125091","14.8855","0.0008","11.3406","0.0006","20.3764","0.0011","90","","94.041","0.0011","90","","3431.2","0.3","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C45 H38 P2 -","- C45 H38 P2 -","- C180 H152 P8 -","4","1","","Transue, Wesley J.; Velian, Alexandra; Nava, Matthew; Martin-Drumel, Marie-Aline; Womack, Caroline C.; Jiang, Jun; Hou, Gao-Lei; Wang, Xue-Bin; McCarthy, Michael C.; Field, Robert W.; Cummins, Christopher C.","A Molecular Precursor to Phosphaethyne and Its Application in Synthesis of the Aromatic 1,2,3,4-Phosphatriazolate Anion.","Journal of the American Chemical Society","2016","138","21","6731","6734","10.1021/jacs.6b03910","","","0.71073","MoKα","","0.0559","0.04","","","0.0927","0.1015","","","","","","1.039","","","","has coordinates,has disorder","183572","2020-10-21","18:00:00",""
"4125092","11.0044","0.0017","12.0737","0.0019","13.946","0.002","83.904","0.003","82.249","0.003","85.085","0.003","1820.8","0.5","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C33 H59 K N5 O7 P -","- C33 H59 K N5 O7 P -","- C66 H118 K2 N10 O14 P2 -","2","1","","Transue, Wesley J.; Velian, Alexandra; Nava, Matthew; Martin-Drumel, Marie-Aline; Womack, Caroline C.; Jiang, Jun; Hou, Gao-Lei; Wang, Xue-Bin; McCarthy, Michael C.; Field, Robert W.; Cummins, Christopher C.","A Molecular Precursor to Phosphaethyne and Its Application in Synthesis of the Aromatic 1,2,3,4-Phosphatriazolate Anion.","Journal of the American Chemical Society","2016","138","21","6731","6734","10.1021/jacs.6b03910","","","0.71073","MoKα","","0.03","0.0271","","","0.0684","0.0704","","","","","","1.037","","","","has coordinates","183572","2020-10-21","18:00:00",""
"4125093","6.0072","0.0005","10.1348","0.0009","10.3082","0.0009","90.002","0.002","89.996","0.002","83.296","0.002","623.29","0.09","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C7 H19 N6 P S -","- C7 H19 N6 P S -","- C14 H38 N12 P2 S2 -","2","1","","Transue, Wesley J.; Velian, Alexandra; Nava, Matthew; Martin-Drumel, Marie-Aline; Womack, Caroline C.; Jiang, Jun; Hou, Gao-Lei; Wang, Xue-Bin; McCarthy, Michael C.; Field, Robert W.; Cummins, Christopher C.","A Molecular Precursor to Phosphaethyne and Its Application in Synthesis of the Aromatic 1,2,3,4-Phosphatriazolate Anion.","Journal of the American Chemical Society","2016","138","21","6731","6734","10.1021/jacs.6b03910","","","0.71073","MoKα","","0.0293","0.0271","","","0.0722","0.0741","","","","","","1.048","","","","has coordinates","183572","2020-10-21","18:00:00",""
"4125094","10.1108","0.0002","12.5567","0.0002","12.7249","0.0009","91.518","0.006","110.105","0.008","113.487","0.008","1366.1","0.17","85","2","85","2","","","","","","","","4","P -1","-P 1","2","","","","- C29 H36 Cl2 O8 -","- C29 H36 Cl2 O8 -","- C58 H72 Cl4 O16 -","2","1","","Kaplan, Will; Khatri, Hem Raj; Nagorny, Pavel","Concise Enantioselective Total Synthesis of Cardiotonic Steroids 19-Hydroxysarmentogenin and Trewianin Aglycone.","Journal of the American Chemical Society","2016","138","22","7194","7198","10.1021/jacs.6b04029","","","1.54178","CuKα","","0.0687","0.0647","","","0.1875","0.1928","","","","","","1.139","","","","has coordinates","183568","2020-10-21","18:00:00",""
"4125095","26.4265","0.0007","11.8821","0.0003","19.8835","0.0005","90","","115.18","0.001","90","","5650.2","0.3","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","2',4',5',7'-Tetrabromofluorescein N-ethoxy-2-methyl pyridinium salt","Eosine N-ethoxy-2-methyl pyridinium","","- C28 H19 Br4 N O6 -","- C28 H19 Br4 N O6 -","- C224 H152 Br32 N8 O48 -","8","1","","Quint, Valentin; Morlet-Savary, Fabrice; Lohier, Jean-François; Lalevée, Jacques; Gaumont, Annie-Claude; Lakhdar, Sami","Metal-Free, Visible Light-Photocatalyzed Synthesis of Benzo[b]phosphole Oxides: Synthetic and Mechanistic Investigations.","Journal of the American Chemical Society","2016","138","23","7436","7441","10.1021/jacs.6b04069","","","0.71073","MoKα","","0.0735","0.0556","","","0.1407","0.1523","","","","","","1.031","","","","has coordinates,has disorder","183573","2020-10-21","18:00:00",""
"4125096","3.9342","0.0005","27.324","0.003","9.9305","0.0014","90","","96.314","0.0015","90","","1061","0.2","130","2","130","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C10 H14 O5 -","- C10 H14 O5 -","- C40 H56 O20 -","4","1","","Li, Gang; Kuo, Jonathan L.; Han, Arthur; Abuyuan, Janine M.; Young, Lily C.; Norton, Jack R.; Palmer, Joshua H.","Radical Isomerization and Cycloisomerization Initiated by H• Transfer.","Journal of the American Chemical Society","2016","138","24","7698","7704","10.1021/jacs.6b03509","","","0.71073","MoKα","","0.0438","0.0409","","","0.1131","0.1158","","","","","","1.083","","","","has coordinates","184933","2020-10-21","18:00:00",""
"4125097","21.1775","0.0015","18.3158","0.0013","7.0825","0.0005","90","","93.269","0.002","90","","2742.7","0.3","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C22 H18 Br2 N S7 Si2 -","- C22 H19 Br2 N S6 Si2 -","- C88 H76 Br8 N4 S24 Si8 -","4","0.5","","Wang, Ying; Zhang, Hui; Pink, Maren; Olankitwanit, Arnon; Rajca, Suchada; Rajca, Andrzej","Radical Cation and Neutral Radical of Aza-thia[7]helicene with SOMO-HOMO Energy Level Inversion.","Journal of the American Chemical Society","2016","138","23","7298","7304","10.1021/jacs.6b01498","","","0.71073","MoKα","","0.0268","0.0227","","","0.0561","0.0578","","","","","","1.049","","","","has coordinates","183574","2020-10-21","18:00:00",""
"4125098","8.8452","0.0002","16.0629","0.0011","13.7551","0.0002","90","","90","","90","","1954.32","0.14","93","2","93","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C14 H32 N6 O5 -","- C14 H32 N6 O5 -","- C56 H128 N24 O20 -","4","0.5","","Kim, Byoungmoo; Chinn, Alex J.; Fandrick, Daniel R.; Senanayake, Chris H.; Singer, Robert A.; Miller, Scott J.","Distal Stereocontrol Using Guanidinylated Peptides as Multifunctional Ligands: Desymmetrization of Diarylmethanes via Ullman Cross-Coupling.","Journal of the American Chemical Society","2016","138","25","7939","7945","10.1021/jacs.6b03444","","","0.71075","MoKα","","0.0403","0.0359","","","0.086","0.0886","","","","","","1.078","","","","has coordinates","184930","2020-10-21","18:00:00",""
"4125099","11.543","0.0008","7.5993","0.0005","14.3503","0.001","90","","99.189","0.004","90","","1242.64","0.15","93","2","93","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C18 H40 Li N5 O11 -","- C18 H40 Li N5 O11 -","- C36 H80 Li2 N10 O22 -","2","1","","Kim, Byoungmoo; Chinn, Alex J.; Fandrick, Daniel R.; Senanayake, Chris H.; Singer, Robert A.; Miller, Scott J.","Distal Stereocontrol Using Guanidinylated Peptides as Multifunctional Ligands: Desymmetrization of Diarylmethanes via Ullman Cross-Coupling.","Journal of the American Chemical Society","2016","138","25","7939","7945","10.1021/jacs.6b03444","","","1.54178","CuKα","","0.0519","0.0342","","","0.0598","0.0653","","","","","","1.029","","","","has coordinates","184930","2020-10-21","18:00:00",""
"4125100","12.3264","0.0017","13.9962","0.0019","13.345","0.0018","90","","100.34","0.007","90","","2264.9","0.5","223","2","223","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C21 H18 Br2 F6 N2 O2 -","- C21 H18 Br2 F6 N2 O2 -","- C84 H72 Br8 F24 N8 O8 -","4","1","","Kim, Byoungmoo; Chinn, Alex J.; Fandrick, Daniel R.; Senanayake, Chris H.; Singer, Robert A.; Miller, Scott J.","Distal Stereocontrol Using Guanidinylated Peptides as Multifunctional Ligands: Desymmetrization of Diarylmethanes via Ullman Cross-Coupling.","Journal of the American Chemical Society","2016","138","25","7939","7945","10.1021/jacs.6b03444","","","0.71075","MoKα","","0.0609","0.044","","","0.082","0.0874","","","","","","1.067","","","","has coordinates","184930","2020-10-21","18:00:00",""
"4125101","8.1091","0.0011","9.773","0.0013","16.327","0.002","90","","90","","90","","1293.9","0.3","223","2","223","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C10 H23 N3 O3 -","- C10 H23 N3 O3 -","- C40 H92 N12 O12 -","4","1","","Kim, Byoungmoo; Chinn, Alex J.; Fandrick, Daniel R.; Senanayake, Chris H.; Singer, Robert A.; Miller, Scott J.","Distal Stereocontrol Using Guanidinylated Peptides as Multifunctional Ligands: Desymmetrization of Diarylmethanes via Ullman Cross-Coupling.","Journal of the American Chemical Society","2016","138","25","7939","7945","10.1021/jacs.6b03444","","","0.71075","MoKα","","0.0503","0.0439","","","0.0859","0.0881","","","","","","1.167","","","","has coordinates","184930","2020-10-21","18:00:00",""
"4125102","10.8788","0.0003","8.3292","0.0002","15.9771","0.0011","90","","97.955","0.007","90","","1433.78","0.11","93","2","93","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C8 H18 F6 N3 O2 P -","- C8 H18 F6 N3 O2 P -","- C32 H72 F24 N12 O8 P4 -","4","1","","Kim, Byoungmoo; Chinn, Alex J.; Fandrick, Daniel R.; Senanayake, Chris H.; Singer, Robert A.; Miller, Scott J.","Distal Stereocontrol Using Guanidinylated Peptides as Multifunctional Ligands: Desymmetrization of Diarylmethanes via Ullman Cross-Coupling.","Journal of the American Chemical Society","2016","138","25","7939","7945","10.1021/jacs.6b03444","","","0.71075","MoKα","","0.0419","0.0393","","","0.1019","0.1037","","","","","","1.061","","","","has coordinates,has disorder","184930","2020-10-21","18:00:00",""
"4125103","11.6467","0.0009","10.9394","0.0005","11.9902","0.0009","90","","117.808","0.009","90","","1351.23","0.19","140","2","140","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C12 H15 B F4 N2 O -","- C12 H15 B F4 N2 O -","- C48 H60 B4 F16 N8 O4 -","4","1","","Lau, Genevieve P. S.; Schreier, Marcel; Vasilyev, Dmitry; Scopelliti, Rosario; Grätzel, Michael; Dyson, Paul J.","New Insights Into the Role of Imidazolium-Based Promoters for the Electroreduction of CO2 on a Silver Electrode.","Journal of the American Chemical Society","2016","138","25","7820","7823","10.1021/jacs.6b03366","","x-ray","0.71073","MoKα","","0.0862","0.0519","","","0.1067","0.1235","","","","","","1.032","","","","has coordinates","184931","2020-10-21","18:00:00",""
"4125104","6.6104","0.0004","9.5196","0.0007","10.5103","0.0007","93.681","0.006","98.829","0.004","91.89","0.005","651.6","0.08","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C12 H12 B F4 N3 -","- C12 H12 B F4 N3 -","- C24 H24 B2 F8 N6 -","2","1","","Lau, Genevieve P. S.; Schreier, Marcel; Vasilyev, Dmitry; Scopelliti, Rosario; Grätzel, Michael; Dyson, Paul J.","New Insights Into the Role of Imidazolium-Based Promoters for the Electroreduction of CO2 on a Silver Electrode.","Journal of the American Chemical Society","2016","138","25","7820","7823","10.1021/jacs.6b03366","","","0.71073","MoKα","","0.0638","0.0488","","","0.113","0.1237","","","","","","1.053","","","","has coordinates,has disorder","184931","2020-10-21","18:00:00",""
"4125105","10.4842","0.0012","10.524","0.0012","12.4159","0.0016","114.73","0.013","90.775","0.01","90.061","0.01","1244.1","0.3","140","2","140","2","","","","","","","","5","P -1","-P 1","2","","","","- C11 H12 B F5 N2 -","- C11 H12 B F5 N2 -","- C44 H48 B4 F20 N8 -","4","2","","Lau, Genevieve P. S.; Schreier, Marcel; Vasilyev, Dmitry; Scopelliti, Rosario; Grätzel, Michael; Dyson, Paul J.","New Insights Into the Role of Imidazolium-Based Promoters for the Electroreduction of CO2 on a Silver Electrode.","Journal of the American Chemical Society","2016","138","25","7820","7823","10.1021/jacs.6b03366","","","0.71073","MoKα","","0.1508","0.1319","","","0.3859","0.4068","","","","","","1.556","","","","has coordinates","184931","2020-10-21","18:00:00",""
"4125106","10.153","0.002","10.7563","0.0017","12.182","0.0019","88.021","0.013","65.88","0.019","85.439","0.016","1210.4","0.4","140","2","140","2","","","","","","","","5","P -1","-P 1","2","","","","- C11 H13 B F4 N2 -","- C11 H13 B F4 N2 -","- C44 H52 B4 F16 N8 -","4","2","","Lau, Genevieve P. S.; Schreier, Marcel; Vasilyev, Dmitry; Scopelliti, Rosario; Grätzel, Michael; Dyson, Paul J.","New Insights Into the Role of Imidazolium-Based Promoters for the Electroreduction of CO2 on a Silver Electrode.","Journal of the American Chemical Society","2016","138","25","7820","7823","10.1021/jacs.6b03366","","","0.71073","MoKα","","0.2269","0.1784","","","0.4191","0.4608","","","","","","1.316","","","","has coordinates","184931","2020-10-21","18:00:00",""
"4125107","10.0336","0.0006","9.9876","0.0006","21.8458","0.0015","90","","95.333","0.003","90","","2179.7","0.2","100","","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C20 H30 Cl Cu I N -","- C20 H30 Cl Cu I N -","- C80 H120 Cl4 Cu4 I4 N4 -","4","1","","Chu, Jiaxiang; Munz, Dominik; Jazzar, Rodolphe; Melaimi, Mohand; Bertrand, Guy","Synthesis of Hemilabile Cyclic (Alkyl)(amino)carbenes (CAACs) and Applications in Organometallic Chemistry.","Journal of the American Chemical Society","2016","138","25","7884","7887","10.1021/jacs.6b05221","","x-ray","0.71073","MoKα","","0.0639","0.0563","","","0.1452","0.149","","","","","","1.149","","","","has coordinates","184932","2020-10-21","18:00:00",""
"4125108","13.7142","0.0005","15.7707","0.0007","15.8385","0.0007","88.698","0.002","87.417","0.002","82.569","0.002","3392.9","0.2","100","","100","","","","","","","","","6","P -1","-P 1","2","","ImineCAACPdBiphenyl","","- C78 H68 Au B F20 N2 -","- C78 H68 Au B F20 N2 -","- C156 H136 Au2 B2 F40 N4 -","2","1","","Chu, Jiaxiang; Munz, Dominik; Jazzar, Rodolphe; Melaimi, Mohand; Bertrand, Guy","Synthesis of Hemilabile Cyclic (Alkyl)(amino)carbenes (CAACs) and Applications in Organometallic Chemistry.","Journal of the American Chemical Society","2016","138","25","7884","7887","10.1021/jacs.6b05221","","x-ray","0.71073","MoKα","","0.0446","0.0311","","","0.0586","0.0628","","","","","","1.013","","","","has coordinates","184932","2020-10-21","18:00:00",""
"4125109","10.0911","0.0007","18.5601","0.0014","19.6959","0.0014","106.828","0.002","94.902","0.002","98.618","0.002","3458.6","0.4","100","2","100","","","","","","","","","5","P -1","-P 1","2","","","","- C36 H54 Au Cl N2 -","- C36 H54 Au Cl N2 -","- C144 H216 Au4 Cl4 N8 -","4","2","","Chu, Jiaxiang; Munz, Dominik; Jazzar, Rodolphe; Melaimi, Mohand; Bertrand, Guy","Synthesis of Hemilabile Cyclic (Alkyl)(amino)carbenes (CAACs) and Applications in Organometallic Chemistry.","Journal of the American Chemical Society","2016","138","25","7884","7887","10.1021/jacs.6b05221","","x-ray","0.71073","MoKα","","0.0718","0.0405","","","0.0746","0.0836","","","","","","1.019","","","","has coordinates","184932","2020-10-21","18:00:00",""
"4125110","8.4234","0.0003","16.0108","0.0006","8.5636","0.0003","90","","101.32","0.002","90","","1132.47","0.07","100","","100","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C22 H36 Cl Cu N2 -","- C22 H36 Cl Cu N2 -","- C44 H72 Cl2 Cu2 N4 -","2","1","","Chu, Jiaxiang; Munz, Dominik; Jazzar, Rodolphe; Melaimi, Mohand; Bertrand, Guy","Synthesis of Hemilabile Cyclic (Alkyl)(amino)carbenes (CAACs) and Applications in Organometallic Chemistry.","Journal of the American Chemical Society","2016","138","25","7884","7887","10.1021/jacs.6b05221","","x-ray","0.71073","MoKα","","0.038","0.034","","","0.0796","0.0822","","","","","","1.021","","","","has coordinates","184932","2020-10-21","18:00:00",""
"4125111","6.3999","0.00018","18.9408","0.0006","11.3358","0.0004","90","","92.523","0.003","90","","1372.78","0.08","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C13 H19 N3 S -","- C13 H19 N3 S -","- C52 H76 N12 S4 -","4","2","","Howe, Ethan N. W.; Busschaert, Nathalie; Wu, Xin; Berry, Stuart N.; Ho, Junming; Light, Mark E.; Czech, Dawid D.; Klein, Harry A.; Kitchen, Jonathan A.; Gale, Philip A.","pH-Regulated Nonelectrogenic Anion Transport by Phenylthiosemicarbazones.","Journal of the American Chemical Society","2016","138","26","8301","8308","10.1021/jacs.6b04656","","x-ray","0.71073","MoKα","","0.0394","0.0347","","","0.0794","0.0819","","","","","","1.022","","","","has coordinates","187899","2020-10-21","18:00:00",""
"4125112","10.5978","0.0004","10.4507","0.0004","27.0588","0.001","90","","90","","90","","2996.9","0.2","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C14 H21 N3 O S -","- C14 H21 N3 O S -","- C112 H168 N24 O8 S8 -","8","1","","Howe, Ethan N. W.; Busschaert, Nathalie; Wu, Xin; Berry, Stuart N.; Ho, Junming; Light, Mark E.; Czech, Dawid D.; Klein, Harry A.; Kitchen, Jonathan A.; Gale, Philip A.","pH-Regulated Nonelectrogenic Anion Transport by Phenylthiosemicarbazones.","Journal of the American Chemical Society","2016","138","26","8301","8308","10.1021/jacs.6b04656","","x-ray","0.71073","MoKα","","0.0509","0.04","","","0.1021","0.1088","","","","","","1.001","","","","has coordinates","187899","2020-10-21","18:00:00",""
"4125113","13.7959","0.0004","13.3873","0.0004","8.3649","0.0002","90","","92.859","0.003","90","","1542.99","0.07","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H18 F3 N3 S -","- C14 H18 F3 N3 S -","- C56 H72 F12 N12 S4 -","4","1","","Howe, Ethan N. W.; Busschaert, Nathalie; Wu, Xin; Berry, Stuart N.; Ho, Junming; Light, Mark E.; Czech, Dawid D.; Klein, Harry A.; Kitchen, Jonathan A.; Gale, Philip A.","pH-Regulated Nonelectrogenic Anion Transport by Phenylthiosemicarbazones.","Journal of the American Chemical Society","2016","138","26","8301","8308","10.1021/jacs.6b04656","","x-ray","0.71073","MoKα","","0.056","0.0431","","","0.1046","0.1108","","","","","","1.039","","","","has coordinates","187899","2020-10-21","18:00:00",""
"4125114","15.8157","0.0009","7.5474","0.0004","11.0448","0.0006","90","","91.419","0.005","90","","1317.98","0.13","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C13 H17 N3 S -","- C13 H17 N3 S -","- C52 H68 N12 S4 -","4","1","","Howe, Ethan N. W.; Busschaert, Nathalie; Wu, Xin; Berry, Stuart N.; Ho, Junming; Light, Mark E.; Czech, Dawid D.; Klein, Harry A.; Kitchen, Jonathan A.; Gale, Philip A.","pH-Regulated Nonelectrogenic Anion Transport by Phenylthiosemicarbazones.","Journal of the American Chemical Society","2016","138","26","8301","8308","10.1021/jacs.6b04656","","x-ray","0.71073","MoKα","","0.1348","0.0645","","","0.1062","0.1251","","","","","","1.018","","","","has coordinates","187899","2020-10-21","18:00:00",""
"4125115","7.9683","0.0002","10.4097","0.0003","22.0972","0.0008","90","","90","","90","","1832.91","0.1","185","","185","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C23 H24 N2 O3 -","- C23 H24 N2 O3 -","- C92 H96 N8 O12 -","4","1","","Allemann, Oliver; Brutsch, Manuela; Lukesh, 3rd, John C; Brody, Daniel M.; Boger, Dale L.","Synthesis of a Potent Vinblastine: Rationally Designed Added Benign Complexity.","Journal of the American Chemical Society","2016","138","27","8376","8379","10.1021/jacs.6b04330","","x-ray","0.71073","MoKα","","0.0469","0.0365","","","0.081","0.0863","","","","","","1.047","","","","has coordinates","187903","2020-10-21","18:00:00",""
"4125116","9.8718","0.0011","16.9815","0.0018","36.212","0.004","90","","97.081","0.002","90","","6024.2","1.1","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C25 H38 Cl7 N -","- C25 H38 Cl7 N -","- C200 H304 Cl56 N8 -","8","2","","Zhukhovitskiy, Aleksandr V.; Mavros, Michael G.; Queeney, K. T.; Wu, Tony; Voorhis, Troy Van; Johnson, Jeremiah A.","Reactions of Persistent Carbenes with Hydrogen-Terminated Silicon Surfaces.","Journal of the American Chemical Society","2016","138","27","8639","8652","10.1021/jacs.6b04962","","","0.71073","MoKα","","0.0585","0.0388","","","0.0903","0.101","","","","","","1.028","","","","has coordinates,has disorder","187904","2020-10-21","18:00:00",""
"4125117","12.6127","0.0008","15.2311","0.001","17.9955","0.0011","69.5328","0.0015","88.0275","0.0013","88.8565","0.0013","3236.8","0.4","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C19 H29 F3 N2 O5 S -","- C18.9999 H29 F2.9997 N2 O4.9997 S0.9999 -","- C113.999 H174 F17.9982 N12 O29.9982 S5.9994 -","6","3","","Zhukhovitskiy, Aleksandr V.; Mavros, Michael G.; Queeney, K. T.; Wu, Tony; Voorhis, Troy Van; Johnson, Jeremiah A.","Reactions of Persistent Carbenes with Hydrogen-Terminated Silicon Surfaces.","Journal of the American Chemical Society","2016","138","27","8639","8652","10.1021/jacs.6b04962","","","0.71073","MoKα","","0.0527","0.0391","","","0.1002","0.1081","","","","","","1.025","","","","has coordinates,has disorder","187904","2020-10-21","18:00:00",""
"4125118","12.4987","0.0005","16.0655","0.0007","17.6184","0.0007","90","","94.9451","0.0009","90","","3524.6","0.3","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C32 H63 N Si4 -","- C32 H63 N Si4 -","- C128 H252 N4 Si16 -","4","1","","Zhukhovitskiy, Aleksandr V.; Mavros, Michael G.; Queeney, K. T.; Wu, Tony; Voorhis, Troy Van; Johnson, Jeremiah A.","Reactions of Persistent Carbenes with Hydrogen-Terminated Silicon Surfaces.","Journal of the American Chemical Society","2016","138","27","8639","8652","10.1021/jacs.6b04962","","","0.71073","MoKα","","0.0339","0.0286","","","0.0749","0.0784","","","","","","1.035","","","","has coordinates","187904","2020-10-21","18:00:00",""
"4125119","8.7865","0.0008","21.4221","0.0018","13.4402","0.0011","90","","94.5721","0.0017","90","","2521.7","0.4","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C25 H29 F3 N2 O5 S -","- C25 H29 F3 N2 O5 S -","- C100 H116 F12 N8 O20 S4 -","4","1","","Zhukhovitskiy, Aleksandr V.; Mavros, Michael G.; Queeney, K. T.; Wu, Tony; Voorhis, Troy Van; Johnson, Jeremiah A.","Reactions of Persistent Carbenes with Hydrogen-Terminated Silicon Surfaces.","Journal of the American Chemical Society","2016","138","27","8639","8652","10.1021/jacs.6b04962","","","0.71073","MoKα","","0.0528","0.0419","","","0.102","0.1081","","","","","","1.058","","","","has coordinates","187904","2020-10-21","18:00:00",""
"4125120","7.1525","0.0004","23.0424","0.0018","11.829","0.0009","90","","90.688","0.006","90","","1949.4","0.2","120","2","120","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C14 H15 Cl4 N4 O Ru S -","- C14 H15 Cl4 N4 O Ru S -","- C56 H60 Cl16 N16 O4 Ru4 S4 -","4","1","","Novotný, Jan; Sojka, Martin; Komorovsky, Stanislav; Nečas, Marek; Marek, Radek","Interpreting the Paramagnetic NMR Spectra of Potential Ru(III) Metallodrugs: Synergy between Experiment and Relativistic DFT Calculations.","Journal of the American Chemical Society","2016","138","27","8432","8445","10.1021/jacs.6b02749","","","0.71075","MolybdenumKα","","0.0768","0.0709","","","0.2195","0.2295","","","","","","1.035","","","","has coordinates","187905","2020-10-21","18:00:00",""
"4125121","7.8013","0.0002","10.8212","0.0004","25.017","0.0008","90","","95.03","0.002","90","","2103.79","0.12","120","2","120","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C14 H15 Cl4 F6 N2 O Ru S -","- C14 H15 Cl4 F6 N2 O Ru S -","- C56 H60 Cl16 F24 N8 O4 Ru4 S4 -","4","1","","Novotný, Jan; Sojka, Martin; Komorovsky, Stanislav; Nečas, Marek; Marek, Radek","Interpreting the Paramagnetic NMR Spectra of Potential Ru(III) Metallodrugs: Synergy between Experiment and Relativistic DFT Calculations.","Journal of the American Chemical Society","2016","138","27","8432","8445","10.1021/jacs.6b02749","","","0.71075","MolybdenumKα","","0.0376","0.03","","","0.0745","0.0788","","","","","","1.032","","","","has coordinates,has disorder","187905","2020-10-21","18:00:00",""
"4125122","15.1499","0.0003","17.3913","0.0003","23.9791","0.0004","76.679","0.002","89.978","0.002","77.344","0.002","5990.2","0.2","120","2","120","2","","","","","","","","7","P -1","-P 1","2","","","","- C26.5 H30 Cl5 N2 O Ru S -","- C26.5 H30 Cl5 N2 O Ru S -","- C212 H240 Cl40 N16 O8 Ru8 S8 -","8","4","","Novotný, Jan; Sojka, Martin; Komorovsky, Stanislav; Nečas, Marek; Marek, Radek","Interpreting the Paramagnetic NMR Spectra of Potential Ru(III) Metallodrugs: Synergy between Experiment and Relativistic DFT Calculations.","Journal of the American Chemical Society","2016","138","27","8432","8445","10.1021/jacs.6b02749","","","0.71075","MolybdenumKα","","0.0575","0.0455","","","0.1381","0.1461","","","","","","1.014","","","","has coordinates,has disorder","187905","2020-10-21","18:00:00",""
"4125123","9.2004","0.0001","15.21","0.0003","15.6366","0.0002","71.257","0.001","73.832","0.001","72.534","0.002","1936.04","0.05","120","2","120","2","","","","","","","","7","P -1","-P 1","2","","","","- C14 H21 Cl4 N2 O Rh S -","- C14 H21 Cl4 N2 O Rh S -","- C56 H84 Cl16 N8 O4 Rh4 S4 -","4","2","","Novotný, Jan; Sojka, Martin; Komorovsky, Stanislav; Nečas, Marek; Marek, Radek","Interpreting the Paramagnetic NMR Spectra of Potential Ru(III) Metallodrugs: Synergy between Experiment and Relativistic DFT Calculations.","Journal of the American Chemical Society","2016","138","27","8432","8445","10.1021/jacs.6b02749","","","0.71075","MolybdenumKα","","0.0226","0.0216","","","0.054","0.0547","","","","","","1.053","","","","has coordinates","187905","2020-10-21","18:00:00",""
"4125124","7.1887","0.0002","22.9114","0.0007","11.8104","0.0003","90","","90.63","0.003","90","","1945.09","0.09","120","2","120","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C14 H15 Cl4 N4 O Rh S -","- C14 H15 Cl4 N4 O Rh S -","- C56 H60 Cl16 N16 O4 Rh4 S4 -","4","1","","Novotný, Jan; Sojka, Martin; Komorovsky, Stanislav; Nečas, Marek; Marek, Radek","Interpreting the Paramagnetic NMR Spectra of Potential Ru(III) Metallodrugs: Synergy between Experiment and Relativistic DFT Calculations.","Journal of the American Chemical Society","2016","138","27","8432","8445","10.1021/jacs.6b02749","","","0.71073","MoKα","","0.0499","0.0412","","","0.1105","0.1164","","","","","","1.079","","","","has coordinates","187905","2020-10-21","18:00:00",""
"4125125","7.7976","0.0004","10.7641","0.0006","25.0618","0.0016","90","","95.151","0.005","90","","2095","0.2","120","2","120","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C14 H15 Cl4 F6 N2 O Rh S -","- C14 H15 Cl4 F6 N2 O Rh S -","- C56 H60 Cl16 F24 N8 O4 Rh4 S4 -","4","1","","Novotný, Jan; Sojka, Martin; Komorovsky, Stanislav; Nečas, Marek; Marek, Radek","Interpreting the Paramagnetic NMR Spectra of Potential Ru(III) Metallodrugs: Synergy between Experiment and Relativistic DFT Calculations.","Journal of the American Chemical Society","2016","138","27","8432","8445","10.1021/jacs.6b02749","","","0.71073","MoKα","","0.0822","0.0779","","","0.2138","0.2171","","","","","","1.103","","","","has coordinates,has disorder","187905","2020-10-21","18:00:00",""
"4125126","12.0966","0.0009","12.7937","0.001","16.0697","0.0012","81.918","0.002","70.076","0.002","64.935","0.002","2117.9","0.3","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C22 H27 I N O P -","- C22 H27 I N O P -","- C88 H108 I4 N4 O4 P4 -","4","2","","Yang, Youqing; Li, Ruirui; Zhao, Yue; Zhao, Dongbing; Shi, Zhuangzhi","Cu-Catalyzed Direct C6-Arylation of Indoles.","Journal of the American Chemical Society","2016","138","28","8734","8737","10.1021/jacs.6b05777","","","0.71073","MoKα","","0.0762","0.0707","","","0.2276","0.2302","","","","","","1.169","","","","has coordinates","187926","2020-10-21","18:00:00",""
"4125127","13.0319","0.0016","12.8304","0.0015","23.089","0.003","90","","90","","90","","3860.6","0.8","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C22 H28 N O P -","- C22 H28 N O P -","- C176 H224 N8 O8 P8 -","8","1","","Yang, Youqing; Li, Ruirui; Zhao, Yue; Zhao, Dongbing; Shi, Zhuangzhi","Cu-Catalyzed Direct C6-Arylation of Indoles.","Journal of the American Chemical Society","2016","138","28","8734","8737","10.1021/jacs.6b05777","","","0.71073","MoKα","","0.0414","0.0371","","","0.096","0.0989","","","","","","1.06","","","","has coordinates","187926","2020-10-21","18:00:00",""
"4125128","4.581","0.016","20.94","0.06","21.9","0.07","90","","92.86","0.05","90","","2098","12","173","","173","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C23 H24 O8 -","- C23 H24 O8 -","- C92 H96 O32 -","4","1","","Lahive, Ciaran W.; Deuss, Peter J.; Lancefield, Christopher S.; Sun, Zhuohua; Cordes, David B.; Young, Claire M.; Tran, Fanny; Slawin, Alexandra M. Z.; de Vries, Johannes G.; Kamer, Paul C. J.; Westwood, Nicholas J.; Barta, Katalin","Advanced Model Compounds for Understanding Acid-Catalyzed Lignin Depolymerization: Identification of Renewable Aromatics and a Lignin-Derived Solvent.","Journal of the American Chemical Society","2016","138","28","8900","8911","10.1021/jacs.6b04144","","","1.54187","CuKα","","0.1803","0.1345","","","0.3222","0.3809","","","","","","1.024","","","","has coordinates","187928","2020-10-21","18:00:00",""
"4125129","8.6085","0.001","26.787","0.003","7.8482","0.0009","90","","97.903","0.003","90","","1792.6","0.4","173","","173","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C20 H20 O7 -","- C20 H20 O7 -","- C80 H80 O28 -","4","1","","Lahive, Ciaran W.; Deuss, Peter J.; Lancefield, Christopher S.; Sun, Zhuohua; Cordes, David B.; Young, Claire M.; Tran, Fanny; Slawin, Alexandra M. Z.; de Vries, Johannes G.; Kamer, Paul C. J.; Westwood, Nicholas J.; Barta, Katalin","Advanced Model Compounds for Understanding Acid-Catalyzed Lignin Depolymerization: Identification of Renewable Aromatics and a Lignin-Derived Solvent.","Journal of the American Chemical Society","2016","138","28","8900","8911","10.1021/jacs.6b04144","","","0.71075","MoKα","","0.0402","0.0349","","","0.0999","0.1022","","","","","","1.113","","","","has coordinates","187928","2020-10-21","18:00:00",""
"4125130","24.263","0.004","24.263","0.004","14.615","0.003","90","","90","","90","","8604","3","110","2","110","2","","","","","","","","4","P 42/m m c","-P 4c 2","131","","","","- C64 H48 O40 Zr6 -","- C64 H48 O40 Zr6 -","- C128 H96 O80 Zr12 -","2","0.125","","Yuan, Shuai; Chen, Ying-Pin; Qin, Jun-Sheng; Lu, Weigang; Zou, Lanfang; Zhang, Qiang; Wang, Xuan; Sun, Xing; Zhou, Hong-Cai","Linker Installation: Engineering Pore Environment with Precisely Placed Functionalities in Zirconium MOFs.","Journal of the American Chemical Society","2016","138","28","8912","8919","10.1021/jacs.6b04501","","","0.71073","MoKα","","0.0852","0.0651","","","0.1488","0.1539","","","","","","1.007","","","","has coordinates,has disorder","187927","2020-10-21","18:00:00",""
"4125131","24.25","0.005","24.25","0.005","15.232","0.003","90","","90","","90","","8957","3","110","2","110","2","","","","","","","","5","P 42/m m c","-P 4c 2","131","","","","- C56 H24 N8 O48 Zr6 -","- C56 H24 N8 O48 Zr6 -","- C112 H48 N16 O96 Zr12 -","2","0.125","","Yuan, Shuai; Chen, Ying-Pin; Qin, Jun-Sheng; Lu, Weigang; Zou, Lanfang; Zhang, Qiang; Wang, Xuan; Sun, Xing; Zhou, Hong-Cai","Linker Installation: Engineering Pore Environment with Precisely Placed Functionalities in Zirconium MOFs.","Journal of the American Chemical Society","2016","138","28","8912","8919","10.1021/jacs.6b04501","","","0.71073","MoKα","","0.078","0.0506","","","0.1044","0.1138","","","","","","1.001","","","","has coordinates,has disorder","187927","2020-10-21","18:00:00",""
"4125132","24.348","0.014","24.348","","14.918","0.009","90","","90","","90","","8844","7","110","2","110","2","","","","","","","","4","P 42/m m c","-P 4c 2","131","","","","- C64 H56 O32 Zr6 -","- C64 H56 O32 Zr6 -","- C128 H112 O64 Zr12 -","2","0.125","","Yuan, Shuai; Chen, Ying-Pin; Qin, Jun-Sheng; Lu, Weigang; Zou, Lanfang; Zhang, Qiang; Wang, Xuan; Sun, Xing; Zhou, Hong-Cai","Linker Installation: Engineering Pore Environment with Precisely Placed Functionalities in Zirconium MOFs.","Journal of the American Chemical Society","2016","138","28","8912","8919","10.1021/jacs.6b04501","","","0.71073","MoKα","","0.0644","0.0417","","","0.091","0.0961","","","","","","1.001","","","","has coordinates","187927","2020-10-21","18:00:00",""
"4125133","24.35","0.03","24.354","","14.797","0.016","90","","90","","90","","8775","14","110","2","110","2","","","","","","","","5","P 42/m m c","-P 4c 2","131","","","","- C56 H24 I8 O32 Zr6 -","- C56 H24 I8 O32 Zr6 -","- C112 H48 I16 O64 Zr12 -","2","0.125","","Yuan, Shuai; Chen, Ying-Pin; Qin, Jun-Sheng; Lu, Weigang; Zou, Lanfang; Zhang, Qiang; Wang, Xuan; Sun, Xing; Zhou, Hong-Cai","Linker Installation: Engineering Pore Environment with Precisely Placed Functionalities in Zirconium MOFs.","Journal of the American Chemical Society","2016","138","28","8912","8919","10.1021/jacs.6b04501","","","0.71073","MoKα","","0.2289","0.08","","","0.145","0.1665","","","","","","1.002","","","","has coordinates,has disorder","187927","2020-10-21","18:00:00",""
"4125134","34.882","0.006","34.882","","12.086","0.002","90","","90","","90","","14706","4","110","2","110","2","","","","","","","","5","P 42/n c m :2","-P 4ac 2ac","138","","","","- C64 H24 F24 O32 Zr6 -","- C64 H24 F24 O32 Zr6 -","- C256 H96 F96 O128 Zr24 -","4","0.25","","Yuan, Shuai; Chen, Ying-Pin; Qin, Jun-Sheng; Lu, Weigang; Zou, Lanfang; Zhang, Qiang; Wang, Xuan; Sun, Xing; Zhou, Hong-Cai","Linker Installation: Engineering Pore Environment with Precisely Placed Functionalities in Zirconium MOFs.","Journal of the American Chemical Society","2016","138","28","8912","8919","10.1021/jacs.6b04501","","","0.71073","MoKα","","0.1149","0.0865","","","0.1904","0.201","","","","","","1.004","","","","has coordinates,has disorder","187927","2020-10-21","18:00:00",""
"4125135","23.024","0.002","23.024","0.002","18.6484","0.0019","90","","90","","90","","9885.6","1.6","110","2","110","2","","","","","","","","5","P 42/m m c","-P 4c 2","131","","","","- C56 H16 N16 O64 Zr6 -","- C56 H16 N16 O64 Zr6 -","- C112 H32 N32 O128 Zr12 -","2","0.125","","Yuan, Shuai; Chen, Ying-Pin; Qin, Jun-Sheng; Lu, Weigang; Zou, Lanfang; Zhang, Qiang; Wang, Xuan; Sun, Xing; Zhou, Hong-Cai","Linker Installation: Engineering Pore Environment with Precisely Placed Functionalities in Zirconium MOFs.","Journal of the American Chemical Society","2016","138","28","8912","8919","10.1021/jacs.6b04501","","","0.71073","MoKα","","0.1483","0.0889","","","0.1925","0.2107","","","","","","1.008","","","","has coordinates,has disorder","187927","2020-10-21","18:00:00",""
"4125136","24.218","0.01","24.218","","15.359","0.006","90","","90","","90","","9008","5","173","2","173","2","","","","","","","","4","P 42/m m c","-P 4c 2","131","","","","- C72 H64 O32 Zr6 -","- C72 H64 O32 Zr6 -","- C144 H128 O64 Zr12 -","2","0.125","","Yuan, Shuai; Chen, Ying-Pin; Qin, Jun-Sheng; Lu, Weigang; Zou, Lanfang; Zhang, Qiang; Wang, Xuan; Sun, Xing; Zhou, Hong-Cai","Linker Installation: Engineering Pore Environment with Precisely Placed Functionalities in Zirconium MOFs.","Journal of the American Chemical Society","2016","138","28","8912","8919","10.1021/jacs.6b04501","","","0.71073","MoKα","","0.1586","0.0582","","","0.1079","0.121","","","","","","1.004","","","","has coordinates","187927","2020-10-21","18:00:00",""
"4125137","23.0867","0.0009","23.087","","18.8049","0.0008","90","","90","","90","","10023.1","0.6","110","2","110","2","","","","","","","","7","P 42/m m c","-P 4c 2","131","","","","- C98 H70 Cu0.53 I0.27 N2.27 O32 Zr6 -","- C98 H70 Cu0.58 I0.1448 N2.1448 O32 Zr6 -","- C196 H140 Cu1.16 I0.2896 N4.2896 O64 Zr12 -","2","0.125","","Yuan, Shuai; Chen, Ying-Pin; Qin, Jun-Sheng; Lu, Weigang; Zou, Lanfang; Zhang, Qiang; Wang, Xuan; Sun, Xing; Zhou, Hong-Cai","Linker Installation: Engineering Pore Environment with Precisely Placed Functionalities in Zirconium MOFs.","Journal of the American Chemical Society","2016","138","28","8912","8919","10.1021/jacs.6b04501","","","1.54184","CuKα","","0.0964","0.0815","","","0.1899","0.1966","","","","","","1.002","","","","has coordinates,has disorder","187927","2020-10-21","18:00:00",""
"4125138","35.053","0.017","35.053","","12.665","0.006","90","","90","","90","","15562","11","110","2","110","2","","","","","","","","4","P 42/n c m :2","-P 4ac 2ac","138","","","","- C68 H50 O32 Zr6 -","- C68 H50 O32 Zr6 -","- C272 H200 O128 Zr24 -","4","0.25","","Yuan, Shuai; Chen, Ying-Pin; Qin, Jun-Sheng; Lu, Weigang; Zou, Lanfang; Zhang, Qiang; Wang, Xuan; Sun, Xing; Zhou, Hong-Cai","Linker Installation: Engineering Pore Environment with Precisely Placed Functionalities in Zirconium MOFs.","Journal of the American Chemical Society","2016","138","28","8912","8919","10.1021/jacs.6b04501","","","0.71073","MoKα","","0.144","0.0616","","","0.1114","0.1247","","","","","","1.003","","","","has coordinates,has disorder","187927","2020-10-21","18:00:00",""
"4125139","24.4","0.03","24.401","","14.88","0.02","90","","90","","90","","8859","16","110","2","110","2","","","","","","","","4","P 42/m m c","-P 4c 2","131","","","","- C72 H58 O32 Zr6 -","- C72 H58 O32 Zr6 -","- C144 H116 O64 Zr12 -","2","0.125","","Yuan, Shuai; Chen, Ying-Pin; Qin, Jun-Sheng; Lu, Weigang; Zou, Lanfang; Zhang, Qiang; Wang, Xuan; Sun, Xing; Zhou, Hong-Cai","Linker Installation: Engineering Pore Environment with Precisely Placed Functionalities in Zirconium MOFs.","Journal of the American Chemical Society","2016","138","28","8912","8919","10.1021/jacs.6b04501","","","0.71073","MoKα","","0.0865","0.0565","","","0.1271","0.1359","","","","","","1.006","","","","has coordinates,has disorder","187927","2020-10-21","18:00:00",""
"4125140","23.679","0.008","23.679","","16.816","0.006","90","","90","","90","","9429","5","110","2","110","2","","","","","","","","4","P 42/m m c","-P 4c 2","131","","","","- C76 H54 O32 Zr6 -","- C76 H54 O32 Zr6 -","- C152 H108 O64 Zr12 -","2","0.125","","Yuan, Shuai; Chen, Ying-Pin; Qin, Jun-Sheng; Lu, Weigang; Zou, Lanfang; Zhang, Qiang; Wang, Xuan; Sun, Xing; Zhou, Hong-Cai","Linker Installation: Engineering Pore Environment with Precisely Placed Functionalities in Zirconium MOFs.","Journal of the American Chemical Society","2016","138","28","8912","8919","10.1021/jacs.6b04501","","","0.71073","MoKα","","0.0728","0.0497","","","0.1097","0.1154","","","","","","1.004","","","","has coordinates","187927","2020-10-21","18:00:00",""
"4125141","23.07","0.03","23.075","","19.16","0.02","90","","90","","90","","10200","17","110","2","110","2","","","","","","","","4","P 42/m m c","-P 4c 2","131","","","","- C70 H40 O32 Zr6 -","- C70 H40 O32 Zr6 -","- C140 H80 O64 Zr12 -","2","0.125","","Yuan, Shuai; Chen, Ying-Pin; Qin, Jun-Sheng; Lu, Weigang; Zou, Lanfang; Zhang, Qiang; Wang, Xuan; Sun, Xing; Zhou, Hong-Cai","Linker Installation: Engineering Pore Environment with Precisely Placed Functionalities in Zirconium MOFs.","Journal of the American Chemical Society","2016","138","28","8912","8919","10.1021/jacs.6b04501","","","0.71073","MoKα","","0.3601","0.1064","","","0.173","0.2192","","","","","","0.979","","","","has coordinates","187927","2020-10-21","18:00:00",""
"4125142","23.91","0.011","23.91","","16.057","0.008","90","","90","","90","","9180","6","110","2","110","2","","","","","","","","4","P 42/m m c","-P 4c 2","131","","","","- C86 H70 O32 Zr6 -","- C86 H70 O32 Zr6 -","- C172 H140 O64 Zr12 -","2","0.125","","Yuan, Shuai; Chen, Ying-Pin; Qin, Jun-Sheng; Lu, Weigang; Zou, Lanfang; Zhang, Qiang; Wang, Xuan; Sun, Xing; Zhou, Hong-Cai","Linker Installation: Engineering Pore Environment with Precisely Placed Functionalities in Zirconium MOFs.","Journal of the American Chemical Society","2016","138","28","8912","8919","10.1021/jacs.6b04501","","","0.71073","MoKα","","0.1771","0.0802","","","0.1622","0.1884","","","","","","1.003","","","","has coordinates","187927","2020-10-21","18:00:00",""
"4125143","24.378","0.01","24.378","","15.017","0.006","90","","90","","90","","8924","5","110","2","110","2","","","","","","","","4","P 42/m m c","-P 4c 2","131","","","","- C74 H54 O32 Zr6 -","- C73.26 H54.08 O32 Zr6 -","- C146.52 H108.16 O64 Zr12 -","2","0.125","","Yuan, Shuai; Chen, Ying-Pin; Qin, Jun-Sheng; Lu, Weigang; Zou, Lanfang; Zhang, Qiang; Wang, Xuan; Sun, Xing; Zhou, Hong-Cai","Linker Installation: Engineering Pore Environment with Precisely Placed Functionalities in Zirconium MOFs.","Journal of the American Chemical Society","2016","138","28","8912","8919","10.1021/jacs.6b04501","","","0.71073","MoKα","","0.1316","0.0772","","","0.17","0.1794","","","","","","1.002","","","","has coordinates,has disorder","187927","2020-10-21","18:00:00",""
"4125144","34.29","0.03","34.293","","14.665","0.012","90","","90","","90","","17245","2","110","2","110","2","","","","","","","","4","P 42/m n m","-P 4n 2n","136","","","","- C83 H65 O32 Zr6 -","- C83 H65 O32 Zr6 -","- C332 H260 O128 Zr24 -","4","0.25","","Yuan, Shuai; Chen, Ying-Pin; Qin, Jun-Sheng; Lu, Weigang; Zou, Lanfang; Zhang, Qiang; Wang, Xuan; Sun, Xing; Zhou, Hong-Cai","Linker Installation: Engineering Pore Environment with Precisely Placed Functionalities in Zirconium MOFs.","Journal of the American Chemical Society","2016","138","28","8912","8919","10.1021/jacs.6b04501","","","0.71073","MoKα","","0.2183","0.095","","","0.1906","0.2166","","","","","","1.002","","","","has coordinates","187927","2020-10-21","18:00:00",""
"4125145","24.288","0.011","24.288","","14.859","0.007","90","","90","","90","","8765","6","110","2","110","2","","","","","","","","4","P 42/m m c","-P 4c 2","131","","","","- C82 H58 O32 Zr6 -","- C81.26 H58.08 O32 Zr6 -","- C162.52 H116.16 O64 Zr12 -","2","0.125","","Yuan, Shuai; Chen, Ying-Pin; Qin, Jun-Sheng; Lu, Weigang; Zou, Lanfang; Zhang, Qiang; Wang, Xuan; Sun, Xing; Zhou, Hong-Cai","Linker Installation: Engineering Pore Environment with Precisely Placed Functionalities in Zirconium MOFs.","Journal of the American Chemical Society","2016","138","28","8912","8919","10.1021/jacs.6b04501","","","0.71073","MoKα","","0.1441","0.0831","","","0.1862","0.1984","","","","","","1.008","","","","has coordinates,has disorder","187927","2020-10-21","18:00:00",""
"4125146","33.505","0.013","33.505","","16.824","0.007","90","","90","","90","","18886","11","110","2","110","2","","","","","","","","4","P 42/m n m","-P 4n 2n","136","","","","- C87 H62 O32 Zr6 -","- C87 H66 O32 Zr6 -","- C348 H264 O128 Zr24 -","4","0.25","","Yuan, Shuai; Chen, Ying-Pin; Qin, Jun-Sheng; Lu, Weigang; Zou, Lanfang; Zhang, Qiang; Wang, Xuan; Sun, Xing; Zhou, Hong-Cai","Linker Installation: Engineering Pore Environment with Precisely Placed Functionalities in Zirconium MOFs.","Journal of the American Chemical Society","2016","138","28","8912","8919","10.1021/jacs.6b04501","","","0.71073","MoKα","","0.1803","0.116","","","0.2652","0.2882","","","","","","1.001","","","","has coordinates","187927","2020-10-21","18:00:00",""
"4125147","23.9","0.003","23.9","","16.817","0.002","90","","90","","90","","9606","1.7","110","2","110","2","","","","","","","","4","P 42/m m c","-P 4c 2","131","","","","- C96 H66 O32 Zr6 -","- C95 H66 O32 Zr6 -","- C190 H132 O64 Zr12 -","2","0.125","","Yuan, Shuai; Chen, Ying-Pin; Qin, Jun-Sheng; Lu, Weigang; Zou, Lanfang; Zhang, Qiang; Wang, Xuan; Sun, Xing; Zhou, Hong-Cai","Linker Installation: Engineering Pore Environment with Precisely Placed Functionalities in Zirconium MOFs.","Journal of the American Chemical Society","2016","138","28","8912","8919","10.1021/jacs.6b04501","","","0.71073","MoKα","","0.1614","0.1263","","","0.2823","0.2946","","","","","","1.012","","","","has coordinates,has disorder","187927","2020-10-21","18:00:00",""
"4125148","23.33","0.04","23.332","","19.07","0.03","90","","90","","90","","10380","2","110","2","110","2","","","","","","","","4","P 42/m m c","-P 4c 2","131","","","","- C80.8 H49.6 O28.8 Zr6 -","- C80.8 H49.6 O28.8 Zr6 -","- C161.6 H99.2 O57.6 Zr12 -","2","0.125","","Yuan, Shuai; Chen, Ying-Pin; Qin, Jun-Sheng; Lu, Weigang; Zou, Lanfang; Zhang, Qiang; Wang, Xuan; Sun, Xing; Zhou, Hong-Cai","Linker Installation: Engineering Pore Environment with Precisely Placed Functionalities in Zirconium MOFs.","Journal of the American Chemical Society","2016","138","28","8912","8919","10.1021/jacs.6b04501","","","0.71073","MoKα","","0.2678","0.1025","","","0.1844","0.2288","","","","","","1.004","","","","has coordinates","187927","2020-10-21","18:00:00",""
"4125149","7.0696","0.0007","10.6921","0.001","16.9433","0.0016","105.252","0.008","91.082","0.008","103.892","0.008","1194.9","0.2","130","2","130","2","","","","","","","","4","P -1","-P 1","2","","","","- C30 H16 B2 O4 -","- C30 H16 B2 O4 -","- C60 H32 B4 O8 -","2","1","","Wang, Xiao-Ye; Narita, Akimitsu; Zhang, Wen; Feng, Xinliang; Müllen, Klaus","Synthesis of Stable Nanographenes with OBO-Doped Zigzag Edges Based on Tandem Demethylation-Electrophilic Borylation.","Journal of the American Chemical Society","2016","138","29","9021","9024","10.1021/jacs.6b04092","","","0.71073","MoKα","","0.1905","0.072","","","0.1529","0.212","","","","","","0.925","","","","has coordinates","187914","2020-10-21","18:00:00",""
"4125150","12.788","0.0012","10.8486","0.0008","9.2601","0.001","90","","90","","90","","1284.7","0.2","100","","100","","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C6 H16 B10 N2 -","- C6 H16 B10 N2 -","- C24 H64 B40 N8 -","4","1","","Dziedzic, Rafal M.; Saleh, Liban M. A.; Axtell, Jonathan C.; Martin, Joshua L.; Stevens, Simone L.; Royappa, A. Timothy; Rheingold, Arnold L.; Spokoyny, Alexander M.","B-N, B-O, and B-CN Bond Formation via Palladium-Catalyzed Cross-Coupling of B-Bromo-Carboranes.","Journal of the American Chemical Society","2016","138","29","9081","9084","10.1021/jacs.6b05505","","x-ray","0.71073","MoKα","","0.0387","0.0345","","","0.0856","0.0877","","","","","","1.097","","","","has coordinates","187916","2020-10-21","18:00:00",""
"4125151","8.6489","0.0005","13.1773","0.0008","13.8649","0.0011","90","","94.794","0.004","90","","1574.64","0.18","100","","100","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C10 H20 B10 O -","- C10 H20 B10 O -","- C40 H80 B40 O4 -","4","1","","Dziedzic, Rafal M.; Saleh, Liban M. A.; Axtell, Jonathan C.; Martin, Joshua L.; Stevens, Simone L.; Royappa, A. Timothy; Rheingold, Arnold L.; Spokoyny, Alexander M.","B-N, B-O, and B-CN Bond Formation via Palladium-Catalyzed Cross-Coupling of B-Bromo-Carboranes.","Journal of the American Chemical Society","2016","138","29","9081","9084","10.1021/jacs.6b05505","","x-ray","0.71073","MoKα","","0.0963","0.0694","","","0.2004","0.2206","","","","","","1.078","","","","has coordinates","187916","2020-10-21","18:00:00",""
"4125152","12.862","0.0012","12.2276","0.0009","13.0826","0.0011","90","","90","","90","","2057.5","0.3","100","","100","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C3 H11 B10 N -","- C3 H11 B10 N -","- C24 H88 B80 N8 -","8","1","","Dziedzic, Rafal M.; Saleh, Liban M. A.; Axtell, Jonathan C.; Martin, Joshua L.; Stevens, Simone L.; Royappa, A. Timothy; Rheingold, Arnold L.; Spokoyny, Alexander M.","B-N, B-O, and B-CN Bond Formation via Palladium-Catalyzed Cross-Coupling of B-Bromo-Carboranes.","Journal of the American Chemical Society","2016","138","29","9081","9084","10.1021/jacs.6b05505","","","0.71073","MoKα","","0.0897","0.0529","","","0.1329","0.1567","","","","","","1.024","","","","has coordinates","187916","2020-10-21","18:00:00",""
"4125153","7.7608","0.0007","11.8506","0.0009","13.1031","0.0011","103.335","0.004","100.977","0.005","103.535","0.004","1101.34","0.17","296","2","296.15","","","","","","","","","4","P -1","-P 1","2","","","","- C18 H28 B10 O2 -","- C18 H28 B10 O2 -","- C36 H56 B20 O4 -","2","1","","Dziedzic, Rafal M.; Saleh, Liban M. A.; Axtell, Jonathan C.; Martin, Joshua L.; Stevens, Simone L.; Royappa, A. Timothy; Rheingold, Arnold L.; Spokoyny, Alexander M.","B-N, B-O, and B-CN Bond Formation via Palladium-Catalyzed Cross-Coupling of B-Bromo-Carboranes.","Journal of the American Chemical Society","2016","138","29","9081","9084","10.1021/jacs.6b05505","","","0.71073","MoKα","","0.0916","0.0463","","","0.1023","0.1156","","","","","","0.89","","","","has coordinates","187916","2020-10-21","18:00:00",""
"4125154","12.5493","0.0003","13.4359","0.0003","24.2837","0.0007","90","","90","","90","","4094.5","0.18","100","","100","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C2 H11 B10 Br O -","- C2 H11 B10 Br O -","- C32 H176 B160 Br16 O16 -","16","2","","Dziedzic, Rafal M.; Saleh, Liban M. A.; Axtell, Jonathan C.; Martin, Joshua L.; Stevens, Simone L.; Royappa, A. Timothy; Rheingold, Arnold L.; Spokoyny, Alexander M.","B-N, B-O, and B-CN Bond Formation via Palladium-Catalyzed Cross-Coupling of B-Bromo-Carboranes.","Journal of the American Chemical Society","2016","138","29","9081","9084","10.1021/jacs.6b05505","","","0.71073","MoKα","","0.0669","0.0376","","","0.0742","0.0815","","","","","","1.017","","","","has coordinates","187916","2020-10-21","18:00:00",""
"4125155","7.6501","0.0006","13.2544","0.0009","15.2454","0.001","90","","90","","90","","1545.85","0.19","100","","100","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C10 H20 B10 O -","- C10 H20 B10 O -","- C40 H80 B40 O4 -","4","1","","Dziedzic, Rafal M.; Saleh, Liban M. A.; Axtell, Jonathan C.; Martin, Joshua L.; Stevens, Simone L.; Royappa, A. Timothy; Rheingold, Arnold L.; Spokoyny, Alexander M.","B-N, B-O, and B-CN Bond Formation via Palladium-Catalyzed Cross-Coupling of B-Bromo-Carboranes.","Journal of the American Chemical Society","2016","138","29","9081","9084","10.1021/jacs.6b05505","","x-ray","0.71073","MoKα","","0.0465","0.0367","","","0.0844","0.0901","","","","","","1.023","","","","has coordinates","187916","2020-10-21","18:00:00",""
"4125156","12.7259","0.0007","12.9299","0.0007","20.6344","0.001","100.156","0.002","98.573","0.002","96.338","0.002","3272","0.3","296","2","296.15","","","","","","","","","5","P -1","-P 1","2","","","","- C10 H21 B10 N O2 -","- C10 H21 B10 N O2 -","- C80 H168 B80 N8 O16 -","8","4","","Dziedzic, Rafal M.; Saleh, Liban M. A.; Axtell, Jonathan C.; Martin, Joshua L.; Stevens, Simone L.; Royappa, A. Timothy; Rheingold, Arnold L.; Spokoyny, Alexander M.","B-N, B-O, and B-CN Bond Formation via Palladium-Catalyzed Cross-Coupling of B-Bromo-Carboranes.","Journal of the American Chemical Society","2016","138","29","9081","9084","10.1021/jacs.6b05505","","","0.71073","MoKα","","0.0932","0.0564","","","0.1412","0.1625","","","","","","1.026","","","","has coordinates","187916","2020-10-21","18:00:00",""
"4125157","10.0301","0.0004","11.1977","0.0005","12.2876","0.0005","89.531","0.002","71.447","0.002","64.321","0.002","1165.47","0.09","103","2","103","2","","","","","","","","6","P -1","-P 1","2","","","","- C49 H32 Cl2 F12 I2 O6 -","- C49 H32 Cl2 F12 I2 O6 -","- C49 H32 Cl2 F12 I2 O6 -","1","0.5","","Wu, Junliang; Deng, Xiaozhou; Hirao, Hajime; Yoshikai, Naohiko","Pd-Catalyzed Conversion of Alkynyl-λ(3)-iodanes to Alkenyl-λ(3)-iodanes via Stereoselective 1,2-Iodine(III) Shift/1,1-Hydrocarboxylation.","Journal of the American Chemical Society","2016","138","29","9105","9108","10.1021/jacs.6b06247","","","0.71073","MoKα","","0.0543","0.0424","","","0.0953","0.1023","","","","","","1.004","","","","has coordinates,has disorder","187915","2020-10-21","18:00:00",""
"4125158","8.8713","0.0003","10.9507","0.0003","11.5619","0.0003","86.324","0.002","83.416","0.002","88.711","0.002","1113.37","0.06","203","2","203","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H15 F6 I O3 -","- C24 H15 F6 I O3 -","- C48 H30 F12 I2 O6 -","2","1","","Wu, Junliang; Deng, Xiaozhou; Hirao, Hajime; Yoshikai, Naohiko","Pd-Catalyzed Conversion of Alkynyl-λ(3)-iodanes to Alkenyl-λ(3)-iodanes via Stereoselective 1,2-Iodine(III) Shift/1,1-Hydrocarboxylation.","Journal of the American Chemical Society","2016","138","29","9105","9108","10.1021/jacs.6b06247","","","0.71073","MoKα","","0.0245","0.0204","","","0.0473","0.0492","","","","","","1.106","","","","has coordinates","187915","2020-10-21","18:00:00",""
"4125159","12.5093","0.0011","13.2893","0.0012","31.967","0.003","90","","93.927","0.001","90","","5301.7","0.8","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C56 H80 Cl N2 Os P -","- C56 H80 Cl N2 Os P -","- C224 H320 Cl4 N8 Os4 P4 -","4","1","","Buil, María L; Cardo, Juan J. F.; Esteruelas, Miguel A.; Oñate, Enrique","Square-Planar Alkylidyne-Osmium and Five-Coordinate Alkylidene-Osmium Complexes: Controlling the Transformation from Hydride-Alkylidyne to Alkylidene.","Journal of the American Chemical Society","2016","138","30","9720","9728","10.1021/jacs.6b05825","","","0.71073","MoKα","","0.1324","0.0968","","","0.1829","0.1962","","","","","","1.219","","","","has coordinates,has disorder","187896","2020-10-21","18:00:00",""
"4125160","24.642","0.003","24.642","0.003","16.016","0.002","90","","90","","90","","9725","2","100","2","100","2","","","","","","","","6","P 42/n :2","-P 4bc","86","","","","- C45.5 H68 Cl N2 Os P -","- C45.5 H68 Cl N2 Os P -","- C364 H544 Cl8 N16 Os8 P8 -","8","1","","Buil, María L; Cardo, Juan J. F.; Esteruelas, Miguel A.; Oñate, Enrique","Square-Planar Alkylidyne-Osmium and Five-Coordinate Alkylidene-Osmium Complexes: Controlling the Transformation from Hydride-Alkylidyne to Alkylidene.","Journal of the American Chemical Society","2016","138","30","9720","9728","10.1021/jacs.6b05825","","","0.71073","MoKα","","0.1129","0.0499","","","0.1238","0.1621","","","","","","1.096","","","","has coordinates,has disorder","187896","2020-10-21","18:00:00",""
"4125161","24.307","0.0019","24.5206","0.0018","25.3072","0.0018","118.393","0.002","111.787","0.002","93.769","0.002","11767.2","1.6","296.15","","296.15","","","","","","","","","3","P -1","-P 1","2","","","","- C196 Cu24 O120 -","- C196 Cu24 O120 -","- C196 Cu24 O120 -","1","0.5","","Chen, Teng-Hao; Wang, Le; Trueblood, Jonathan V.; Grassian, Vicki H.; Cohen, Seth M.","Poly(isophthalic acid)(ethylene oxide) as a Macromolecular Modulator for Metal-Organic Polyhedra.","Journal of the American Chemical Society","2016","138","30","9646","9654","10.1021/jacs.6b04971","","","0.71073","MoKα","","0.1153","0.0603","","","0.1582","0.1721","","","","","","0.803","","","","has coordinates","187897","2020-10-21","18:00:00",""
"4125162","36.076","0.002","36.076","0.002","29.2307","0.0019","90","","90","","120","","32946","3","100","","100","","","","","","","","","4","R -3","-R 3","148","","","","- C192 Cu24 N24 O168 -","- C192 Cu24 N24 O168 -","- C576 Cu72 N72 O504 -","3","","","Chen, Teng-Hao; Wang, Le; Trueblood, Jonathan V.; Grassian, Vicki H.; Cohen, Seth M.","Poly(isophthalic acid)(ethylene oxide) as a Macromolecular Modulator for Metal-Organic Polyhedra.","Journal of the American Chemical Society","2016","138","30","9646","9654","10.1021/jacs.6b04971","","","0.71073","MoKα","","0.0989","0.0797","","","0.2159","0.2353","","","","","","1.022","","","","has coordinates,has disorder","187897","2020-10-21","18:00:00",""
"4125163","27.401","0.011","27.401","0.011","35.409","0.014","90","","90","","90","","26586","18","296","2","296.15","","","","","","","","","3","I 4/m","-I 4","87","","","","- C192 Cu24 O144 -","- C192 Cu24 O144 -","- C384 Cu48 O288 -","2","0.125","","Chen, Teng-Hao; Wang, Le; Trueblood, Jonathan V.; Grassian, Vicki H.; Cohen, Seth M.","Poly(isophthalic acid)(ethylene oxide) as a Macromolecular Modulator for Metal-Organic Polyhedra.","Journal of the American Chemical Society","2016","138","30","9646","9654","10.1021/jacs.6b04971","","","0.71073","MoKα","","0.0808","0.0529","","","0.1339","0.1406","","","","","","0.9139","","","","has coordinates","187897","2020-10-21","18:00:00",""
"4125164","35.66","0.003","35.66","0.003","30.219","0.003","90","","90","","120","","33279","5","","","100","","","","","","","","","3","R -3","-R 3","148","","","","- C36 Cu4 O20 -","- C36 Cu4 O20 -","- C648 Cu72 O360 -","18","","","Chen, Teng-Hao; Wang, Le; Trueblood, Jonathan V.; Grassian, Vicki H.; Cohen, Seth M.","Poly(isophthalic acid)(ethylene oxide) as a Macromolecular Modulator for Metal-Organic Polyhedra.","Journal of the American Chemical Society","2016","138","30","9646","9654","10.1021/jacs.6b04971","","","0.71073","MoKα","","0.0921","0.0713","","","0.1872","0.2031","","","","","","1.0267","","","","has coordinates","187897","2020-10-21","18:00:00",""
"4125165","27.57","0.002","27.57","0.002","27.57","0.002","90","","90","","90","","20956","3","296.15","","296.15","","","","","","","","","4","I m -3 m","-I 4 2 3","229","","","","- C192 H96 Cu24 O120 -","- C192 H96 Cu24 O120 -","- C384 H192 Cu48 O240 -","2","0.0208333","","Chen, Teng-Hao; Wang, Le; Trueblood, Jonathan V.; Grassian, Vicki H.; Cohen, Seth M.","Poly(isophthalic acid)(ethylene oxide) as a Macromolecular Modulator for Metal-Organic Polyhedra.","Journal of the American Chemical Society","2016","138","30","9646","9654","10.1021/jacs.6b04971","","","0.71073","MoKα","","0.0828","0.0618","","","0.1657","0.1773","","","","","","0.9908","","","","has coordinates","187897","2020-10-21","18:00:00",""
"4125166","26.217","0.002","26.217","0.002","44.813","0.005","90","","90","","90","","30801","5","100","2","100","","","","","","","","","4","I 4/m m m","-I 4 2","139","","","","- C192 Cu28 N24 O132 -","- C192 Cu28 N24 O132 -","- C384 Cu56 N48 O264 -","2","0.0625","","Chen, Teng-Hao; Wang, Le; Trueblood, Jonathan V.; Grassian, Vicki H.; Cohen, Seth M.","Poly(isophthalic acid)(ethylene oxide) as a Macromolecular Modulator for Metal-Organic Polyhedra.","Journal of the American Chemical Society","2016","138","30","9646","9654","10.1021/jacs.6b04971","","","0.71073","MoKα","","0.1303","0.0967","","","0.2659","0.2954","","","","","","0.9787","","","","has coordinates","187897","2020-10-21","18:00:00",""
"4125167","36.173","0.007","36.173","0.007","29.289","0.006","90","","90","","120","","33190","11","100","","100","","","","","","","","","4","R -3 :H","-R 3","148","","","","- C198 Cu24 N24 O168 -","- C198 Cu24 N24 O168 -","- C594 Cu72 N72 O504 -","3","0.166667","","Chen, Teng-Hao; Wang, Le; Trueblood, Jonathan V.; Grassian, Vicki H.; Cohen, Seth M.","Poly(isophthalic acid)(ethylene oxide) as a Macromolecular Modulator for Metal-Organic Polyhedra.","Journal of the American Chemical Society","2016","138","30","9646","9654","10.1021/jacs.6b04971","","","0.71073","MoKα","","0.1442","0.0857","","","0.1988","0.2186","","","","","","1.0203","","","","has coordinates","268283","2021-08-30","06:31:22",""
"4125168","27.571","0.004","27.571","0.004","35.456","0.005","90","","90","","90","","26952","7","100","","100","","","","","","","","","3","I 4/m","-I 4","87","","","","- C200 Cu24 O145 -","- C200 Cu24 O145 -","- C400 Cu48 O290 -","2","0.125","","Chen, Teng-Hao; Wang, Le; Trueblood, Jonathan V.; Grassian, Vicki H.; Cohen, Seth M.","Poly(isophthalic acid)(ethylene oxide) as a Macromolecular Modulator for Metal-Organic Polyhedra.","Journal of the American Chemical Society","2016","138","30","9646","9654","10.1021/jacs.6b04971","","","0.71073","MoKα","","0.0911","0.0661","","","0.1831","0.1935","","","","","","0.9157","","","","has coordinates","187897","2020-10-21","18:00:00",""
"4125169","9.5544","0.0015","11.6505","0.0019","12.0027","0.0019","72.481","0.002","69.051","0.002","73.391","0.002","1165.8","0.3","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H21 N2 P S -","- C30 H21 N2 P S -","- C60 H42 N4 P2 S2 -","2","1","","Tao, Ye; Xu, Lijia; Zhang, Zhen; Chen, Runfeng; Li, Huanhuan; Xu, Hui; Zheng, Chao; Huang, Wei","Achieving Optimal Self-Adaptivity for Dynamic Tuning of Organic Semiconductors through Resonance Engineering.","Journal of the American Chemical Society","2016","138","30","9655","9662","10.1021/jacs.6b05042","","","0.71073","MoKα","","0.0481","0.0378","","","0.0996","0.1118","","","","","","1.052","","","","has coordinates","187898","2020-10-21","18:00:00",""
"4125170","9.731","0.0006","9.785","0.0007","11.1276","0.0009","95.858","0.006","101.602","0.006","109.696","0.006","960.46","0.13","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H18 N P S -","- C24 H18 N P S -","- C48 H36 N2 P2 S2 -","2","1","","Tao, Ye; Xu, Lijia; Zhang, Zhen; Chen, Runfeng; Li, Huanhuan; Xu, Hui; Zheng, Chao; Huang, Wei","Achieving Optimal Self-Adaptivity for Dynamic Tuning of Organic Semiconductors through Resonance Engineering.","Journal of the American Chemical Society","2016","138","30","9655","9662","10.1021/jacs.6b05042","","","0.71073","MoKα","","0.0461","0.0377","","","0.0924","0.1004","","","","","","1.057","","","","has coordinates","187898","2020-10-21","18:00:00",""
"4125171","21.61","0.005","7.777","0.005","16.839","0.005","90","0.005","93.812","0.005","90","0.005","2824","2","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","(E)-3-(5-methoxy-2,2-dimethyl-2,3-dihydro-1H-inden-1-ylidene)pyrrolidin-2-one","","- C16 H19 N O2 -","- C16 H19 N O2 -","- C128 H152 N8 O16 -","8","1","","Paolino, Marco; Gueye, Moussa; Pieri, Elisa; Manathunga, Madushanka; Fusi, Stefania; Cappelli, Andrea; Latterini, Loredana; Pannacci, Danilo; Filatov, Michael; Léonard, Jérémie; Olivucci, Massimo","Design, Synthesis, and Dynamics of a Green Fluorescent Protein Fluorophore Mimic with an Ultrafast Switching Function.","Journal of the American Chemical Society","2016","138","31","9807","9825","10.1021/jacs.5b10812","","","0.71073","MoKα","","0.0646","0.0472","","","0.1164","0.1284","","","","","","1.019","","","","has coordinates","187907","2020-10-21","18:00:00",""
"4125172","7.491","0.001","8.603","0.001","11.623","0.001","71.9","0.01","71.38","0.01","87.8","0.01","673.17","0.15","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","(E)-3-(5-hydroxy-2,2-dimethyl-2,3-dihydro-1H-inden-1-ylidene)pyrrolidin-2-one","","- C15 H19 N O3 -","- C15 H19 N O3 -","- C30 H38 N2 O6 -","2","1","","Paolino, Marco; Gueye, Moussa; Pieri, Elisa; Manathunga, Madushanka; Fusi, Stefania; Cappelli, Andrea; Latterini, Loredana; Pannacci, Danilo; Filatov, Michael; Léonard, Jérémie; Olivucci, Massimo","Design, Synthesis, and Dynamics of a Green Fluorescent Protein Fluorophore Mimic with an Ultrafast Switching Function.","Journal of the American Chemical Society","2016","138","31","9807","9825","10.1021/jacs.5b10812","","","0.71073","MoKα","","0.0774","0.0515","","","0.106","0.1244","","","","","","1.017","","","","has coordinates","187907","2020-10-21","18:00:00",""
"4125173","6.3942","0.0005","11.6678","0.0009","24.848","0.002","90","","90","","90","","1853.8","0.3","120","2","119.98","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C22 H24 N2 O2 -","- C22 H24 N2 O2 -","- C88 H96 N8 O8 -","4","1","","Chapman, Lauren M.; Beck, Jordan C.; Wu, Linglin; Reisman, Sarah E.","Enantioselective Total Synthesis of (+)-Psiguadial B.","Journal of the American Chemical Society","2016","138","31","9803","9806","10.1021/jacs.6b07229","","","1.54178","CuKα","","0.0294","0.0292","","","0.0782","0.0785","","","","","","1.043","","","","has coordinates","187908","2020-10-21","18:00:00",""
"4125174","12.002","0.002","12.2342","0.0019","15.114","0.003","102.499","0.005","99.728","0.006","92.966","0.006","2126.5","0.6","243","2","243","2","","","","","","","","4","P -1","-P 1","2","","","","- C57 H46 N2 O6 -","- C57 H46 N2 O6 -","- C114 H92 N4 O12 -","2","1","","Ip, Ho-Wang; Ng, Chun-Fai; Chow, Hak-Fun; Kuck, Dietmar","Three-Fold Scholl-Type Cycloheptatriene Ring Formation around a Tribenzotriquinacene Core: Toward Warped Graphenes.","Journal of the American Chemical Society","2016","138","42","13778","","10.1021/jacs.6b05820","","","0.71073","MoKα","","0.0972","0.0538","","","0.1165","0.1369","","","","","","1.017","","","","has coordinates","187931","2020-10-21","18:00:00",""
"4125175","5.2753","0.0002","7.7876","0.0003","25.903","0.001","90.414","0.002","95.771","0.002","98.112","0.002","1047.91","0.07","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H35 F3 N2 O2 -","- C20 H35 F3 N2 O2 -","- C40 H70 F6 N4 O4 -","2","1","","Nelyubina, Yulia V.; Shaplov, Alexander S.; Lozinskaya, Elena I.; Buzin, Mikhail I.; Vygodskii, Yakov S.","A New Volume-Based Approach for Predicting Thermophysical Behavior of Ionic Liquids and Ionic Liquid Crystals.","Journal of the American Chemical Society","2016","138","32","10076","10079","10.1021/jacs.6b05174","","","1.54178","CuKα","","0.0518","0.0476","","","0.1123","0.1156","","","","","","1","","","","has coordinates","187933","2020-10-21","18:00:00",""
"4125176","5.424","0.0001","9.1759","0.0002","23.7616","0.0005","88.7","0.001","83.798","0.001","83.935","0.001","1169.04","0.04","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C20 H35 F3 N4 O2 S -","- C20 H35 F3 N4 O2 S -","- C40 H70 F6 N8 O4 S2 -","2","1","","Nelyubina, Yulia V.; Shaplov, Alexander S.; Lozinskaya, Elena I.; Buzin, Mikhail I.; Vygodskii, Yakov S.","A New Volume-Based Approach for Predicting Thermophysical Behavior of Ionic Liquids and Ionic Liquid Crystals.","Journal of the American Chemical Society","2016","138","32","10076","10079","10.1021/jacs.6b05174","","","1.54178","CuKα","","0.0352","0.0337","","","0.0944","0.0959","","","","","","1.03","","","","has coordinates","187933","2020-10-21","18:00:00",""
"4125177","8.0522","0.0004","13.2016","0.0007","25.7191","0.0013","75.731","0.005","85.109","0.005","88.052","0.005","2639.8","0.2","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C20 H35 F6 N3 O4 S2 -","- C20 H35 F6 N3 O4 S2 -","- C80 H140 F24 N12 O16 S8 -","4","2","","Nelyubina, Yulia V.; Shaplov, Alexander S.; Lozinskaya, Elena I.; Buzin, Mikhail I.; Vygodskii, Yakov S.","A New Volume-Based Approach for Predicting Thermophysical Behavior of Ionic Liquids and Ionic Liquid Crystals.","Journal of the American Chemical Society","2016","138","32","10076","10079","10.1021/jacs.6b05174","","","0.71073","MoKα","","0.1192","0.049","","","0.0738","0.0845","","","","","","1.014","","","","has coordinates","187933","2020-10-21","18:00:00",""
"4125178","8.4858","0.0003","56.257","0.002","8.7349","0.0003","90","","97.052","0.002","90","","4138.4","0.3","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H35 Cl N2 O4 -","- C18 H35 Cl N2 O4 -","- C144 H280 Cl8 N16 O32 -","8","2","","Nelyubina, Yulia V.; Shaplov, Alexander S.; Lozinskaya, Elena I.; Buzin, Mikhail I.; Vygodskii, Yakov S.","A New Volume-Based Approach for Predicting Thermophysical Behavior of Ionic Liquids and Ionic Liquid Crystals.","Journal of the American Chemical Society","2016","138","32","10076","10079","10.1021/jacs.6b05174","","","1.54178","CuKα","","0.0611","0.0591","","","0.1731","0.1749","","","","","","1.105","","","","has coordinates","187933","2020-10-21","18:00:00",""
"4125179","5.3155","0.0001","7.3072","0.0002","27.5134","0.0006","87.006","0.0011","85.0705","0.001","73.2054","0.001","1018.87","0.04","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C20 H35 N5 -","- C20 H35 N5 -","- C40 H70 N10 -","2","1","","Nelyubina, Yulia V.; Shaplov, Alexander S.; Lozinskaya, Elena I.; Buzin, Mikhail I.; Vygodskii, Yakov S.","A New Volume-Based Approach for Predicting Thermophysical Behavior of Ionic Liquids and Ionic Liquid Crystals.","Journal of the American Chemical Society","2016","138","32","10076","10079","10.1021/jacs.6b05174","","","0.71073","MoKα","","0.0575","0.0415","","","0.1097","0.1228","","","","","","1.045","","","","has coordinates","187933","2020-10-21","18:00:00",""
"4125180","9.6318","0.0003","8.3408","0.0003","56.7289","0.0019","90","","92.107","0.002","90","","4554.3","0.3","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C19 H35 F3 N2 O3 S -","- C19 H35 F3 N2 O3 S -","- C152 H280 F24 N16 O24 S8 -","8","2","","Nelyubina, Yulia V.; Shaplov, Alexander S.; Lozinskaya, Elena I.; Buzin, Mikhail I.; Vygodskii, Yakov S.","A New Volume-Based Approach for Predicting Thermophysical Behavior of Ionic Liquids and Ionic Liquid Crystals.","Journal of the American Chemical Society","2016","138","32","10076","10079","10.1021/jacs.6b05174","","","0.71073","MoKα","","0.0641","0.0477","","","0.1285","0.1399","","","","","","1.01","","","","has coordinates","187933","2020-10-21","18:00:00",""
"4125181","5.315","0.0007","7.8401","0.0012","24.302","0.004","91.377","0.003","94.775","0.004","98.629","0.004","997","0.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H37 Br N2 O -","- C18 H37 Br N2 O -","- C36 H74 Br2 N4 O2 -","2","1","","Nelyubina, Yulia V.; Shaplov, Alexander S.; Lozinskaya, Elena I.; Buzin, Mikhail I.; Vygodskii, Yakov S.","A New Volume-Based Approach for Predicting Thermophysical Behavior of Ionic Liquids and Ionic Liquid Crystals.","Journal of the American Chemical Society","2016","138","32","10076","10079","10.1021/jacs.6b05174","","","0.71073","MoKα","","0.0552","0.0389","","","0.0789","0.0851","","","","","","1.004","","","","has coordinates","187933","2020-10-21","18:00:00",""
"4125182","19.826","0.004","19.826","0.004","30.613","0.006","90","","90","","90","","12033","4","130","2","130","2","","","","","","","","5","P 42 21 2","P 4n 2n","94","","","","- C72 H112 I5 K2 O91 -","- C72 H112 I5 K2 O91 -","- C288 H448 I20 K8 O364 -","4","0.5","","Zhou, Hongyao; Yamada, Teppei; Kimizuka, Nobuo","Supramolecular Thermo-Electrochemical Cells: Enhanced Thermoelectric Performance by Host-Guest Complexation and Salt-Induced Crystallization.","Journal of the American Chemical Society","2016","138","33","10502","10507","10.1021/jacs.6b04923","","","0.71075","MoKα","","0.1276","0.0981","","","0.2816","0.3318","","","","","","1.085","","","","has coordinates","187925","2020-10-21","18:00:00",""
"4125183","9.8511","0.0014","16.512","0.003","20.18","0.003","90","","90","","90","","3282.5","0.9","113","2","113","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C32 H48 N2 Si3 -","- C32 H48 N2 Si3 -","- C128 H192 N8 Si12 -","4","1","","Wang, Zhendong; Zhang, Jianying; Li, Jianfeng; Cui, Chunming","NHC-Stabilized Silicon-Carbon Mixed Cumulene.","Journal of the American Chemical Society","2016","138","33","10421","10424","10.1021/jacs.6b06960","","","0.71073","MoKα","","0.0555","0.0399","","","0.1055","0.119","","","","","","0.831","","","","has coordinates","187922","2020-10-21","18:00:00",""
"4125184","9.1735","0.0018","17.478","0.004","18.2","0.004","90","","101.25","0.03","90","","2862","1.1","113","2","113","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C21 H47 Cl N2 Si4 -","- C21 H47 Cl N2 Si4 -","- C84 H188 Cl4 N8 Si16 -","4","1","","Wang, Zhendong; Zhang, Jianying; Li, Jianfeng; Cui, Chunming","NHC-Stabilized Silicon-Carbon Mixed Cumulene.","Journal of the American Chemical Society","2016","138","33","10421","10424","10.1021/jacs.6b06960","","","0.71073","MoKα","","0.1078","0.0683","","","0.1614","0.1816","","","","","","1.011","","","","has coordinates","187922","2020-10-21","18:00:00",""
"4125185","7.5669","0.0001","14.1761","0.0002","15.2272","0.0002","90","","90","","90","","1633.41","0.04","130","2","130","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C22 H17 N O -","- C22 H17 N O -","- C88 H68 N4 O4 -","4","1","","Wang, Jie; Chen, Mu-Wang; Ji, Yue; Hu, Shu-Bo; Zhou, Yong-Gui","Kinetic Resolution of Axially Chiral 5- or 8-Substituted Quinolines via Asymmetric Transfer Hydrogenation.","Journal of the American Chemical Society","2016","138","33","10413","10416","10.1021/jacs.6b06009","","","1.54178","CuKα","","0.0318","0.0313","","","0.0805","0.0811","","","","","","1.064","","","","has coordinates","187924","2020-10-21","18:00:00",""
"4125186","7.3982","0.0009","7.3861","0.001","27.199","0.003","90","","90","","90","","1486.3","0.3","293","","293.15","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C20 H15 N -","- C20 H15 N -","- C80 H60 N4 -","4","1","","Wang, Jie; Chen, Mu-Wang; Ji, Yue; Hu, Shu-Bo; Zhou, Yong-Gui","Kinetic Resolution of Axially Chiral 5- or 8-Substituted Quinolines via Asymmetric Transfer Hydrogenation.","Journal of the American Chemical Society","2016","138","33","10413","10416","10.1021/jacs.6b06009","","","1.54178","CuKα","","0.0845","0.0785","","","0.2337","0.2459","","","","","","1.114","","","","has coordinates","187924","2020-10-21","18:00:00",""
"4125187","12","0.003","12","0.003","13.147","0.004","90","","90","","120","","1639.5","0.8","200","2","200","2","","","","","","","","3","R -3 c :H","-R 3 2""c","167","","","","- Ca6 N2 Te3 -","- Ca6 N2 Te3 -","- Ca36 N12 Te18 -","6","0.166667","","Dickman, Matthew J.; Latturner, Susan E.","Metal nitrides grown from Ca/Li flux: Ca6Te3N2 and new nitridoferrate(I) Ca6(LixFe1-x)Te2N3.","Journal of the American Chemical Society","2016","","","","","10.1021/jacs.6b06024","","","0.71073","MoKα","","0.012","0.0111","","","0.0246","0.0249","","","","","","1.091","","","","has coordinates","270074","2021-10-24","17:53:43",""
"4125188","8.718","0.003","8.718","0.003","6.719","0.002","90","","90","","90","","510.7","0.3","130","2","130","2","","","","","","","","5","P 42/m","-P 4c","84","","","","- Ca6 Fe0.52 Li0.48 N3 Te2 -","- Ca6 Fe0.526 Li0.474 N3 Te2 -","- Ca12 Fe1.052 Li0.948 N6 Te4 -","2","0.25","","Dickman, Matthew J.; Latturner, Susan E.","Metal nitrides grown from Ca/Li flux: Ca6Te3N2 and new nitridoferrate(I) Ca6(LixFe1-x)Te2N3.","Journal of the American Chemical Society","2016","","","","","10.1021/jacs.6b06024","","","0.71073","MoKα","","0.0196","0.0194","","","0.0495","0.0498","","","","","","1.4","","","","has coordinates","185831","2020-10-21","18:00:00",""
"4125189","14.5078","0.0006","17.5364","0.0008","10.1577","0.0004","90","","90","","90","","2584.27","0.19","100","2","100","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C16 H36 B10 O4 P2 Ru -","- C16 H36 B10 O4 P2 Ru -","- C64 H144 B40 O16 P8 Ru4 -","4","0.5","","Eleazer, Bennett J.; Smith, Mark D.; Popov, Alexey A.; Peryshkov, Dmitry V.","(BB)-Carboryne Complex of Ruthenium: Synthesis by Double B-H Activation at a Single Metal Center.","Journal of the American Chemical Society","2016","138","33","10531","10538","10.1021/jacs.6b05172","","x-ray","0.71073","MoKα","","0.0487","0.03","","","0.0576","0.0626","","","","","","1.037","","","","has coordinates","187923","2020-10-21","18:00:00",""
"4125190","11.9543","0.0005","14.3559","0.0006","16.4299","0.0007","90","","90","","90","","2819.6","0.2","100","2","100","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C16 H37 B10 Cl O4 P2 Ru -","- C16 H37 B10 Cl O4 P2 Ru -","- C64 H148 B40 Cl4 O16 P8 Ru4 -","4","1","","Eleazer, Bennett J.; Smith, Mark D.; Popov, Alexey A.; Peryshkov, Dmitry V.","(BB)-Carboryne Complex of Ruthenium: Synthesis by Double B-H Activation at a Single Metal Center.","Journal of the American Chemical Society","2016","138","33","10531","10538","10.1021/jacs.6b05172","","x-ray","0.71073","MoKα","","0.0279","0.0222","","","0.0411","0.0425","","","","","","1.026","","","","has coordinates","187923","2020-10-21","18:00:00",""
"4125191","18.6818","0.0008","8.9257","0.0003","19.5607","0.0008","90","","91.606","0.0014","90","","3260.4","0.2","200","2","200","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C21 H42 B10 O6 P2 Ru -","- C21 H42 B10 O6 P2 Ru -","- C84 H168 B40 O24 P8 Ru4 -","4","1","","Eleazer, Bennett J.; Smith, Mark D.; Popov, Alexey A.; Peryshkov, Dmitry V.","(BB)-Carboryne Complex of Ruthenium: Synthesis by Double B-H Activation at a Single Metal Center.","Journal of the American Chemical Society","2016","138","33","10531","10538","10.1021/jacs.6b05172","","x-ray","0.71073","MoKα","","0.0674","0.0389","","","0.0722","0.0812","","","","","","1.018","","","","has coordinates,has disorder","187923","2020-10-21","18:00:00",""
"4125192","15.7357","0.0008","12.9295","0.0007","15.8165","0.0008","90","","103.388","0.002","90","","3130.5","0.3","100","2","100","2","","","","","","","","8","C 1 2/m 1","-C 2y","12","","","","- C18 H36 B10 D3 I2 O3 P2 Ru -","- C18 H36 B10 D3 I2 O3 P2 Ru -","- C72 H144 B40 D12 I8 O12 P8 Ru4 -","4","0.5","","Eleazer, Bennett J.; Smith, Mark D.; Popov, Alexey A.; Peryshkov, Dmitry V.","(BB)-Carboryne Complex of Ruthenium: Synthesis by Double B-H Activation at a Single Metal Center.","Journal of the American Chemical Society","2016","138","33","10531","10538","10.1021/jacs.6b05172","","x-ray","0.71073","MoKα","","0.0241","0.0188","","","0.0452","0.0472","","","","","","1.04","","","","has coordinates,has disorder","187923","2020-10-21","18:00:00",""
"4125193","10.908","0.0006","13.3367","0.0007","21.9824","0.0011","90","","99.305","0.002","90","","3155.8","0.3","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C22 H46 B10 O4 P2 Ru -","- C22 H46 B10 O4 P2 Ru -","- C88 H184 B40 O16 P8 Ru4 -","4","1","","Eleazer, Bennett J.; Smith, Mark D.; Popov, Alexey A.; Peryshkov, Dmitry V.","(BB)-Carboryne Complex of Ruthenium: Synthesis by Double B-H Activation at a Single Metal Center.","Journal of the American Chemical Society","2016","138","33","10531","10538","10.1021/jacs.6b05172","","x-ray","0.71073","MoKα","","0.0536","0.0364","","","0.0726","0.0775","","","","","","1.069","","","","has coordinates","187923","2020-10-21","18:00:00",""
"4125194","9.2907","0.0005","14.0608","0.0007","20.6883","0.0012","90","","94.379","0.002","90","","2694.7","0.3","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C16 H39 B11 O4 P2 Ru -","- C16 H39 B11 O4 P2 Ru -","- C64 H156 B44 O16 P8 Ru4 -","4","1","","Eleazer, Bennett J.; Smith, Mark D.; Popov, Alexey A.; Peryshkov, Dmitry V.","(BB)-Carboryne Complex of Ruthenium: Synthesis by Double B-H Activation at a Single Metal Center.","Journal of the American Chemical Society","2016","138","33","10531","10538","10.1021/jacs.6b05172","","x-ray","0.71073","MoKα","","0.0198","0.0161","","","0.0405","0.0415","","","","","","1.075","","","","has coordinates","187923","2020-10-21","18:00:00",""
"4125195","11.97","0.002","12.297","0.002","17.763","0.003","80.063","0.005","76.452","0.005","82.123","0.006","2491","0.7","110","2","110","2","","","","","","","","6","P 1","P 1","1","","","","- C34 H54 B Li N4 O -","- C34 H54 B Li N4 O -","- C102 H162 B3 Li3 N12 O3 -","3","3","","Mukherjee, Debabrata; Osseili, Hassan; Spaniol, Thomas P.; Okuda, Jun","Alkali Metal Hydridotriphenylborates [(L)M][HBPh3] (M = Li, Na, K): Chemoselective Catalysts for Carbonyl and CO2 Hydroboration.","Journal of the American Chemical Society","2016","138","34","10790","10793","10.1021/jacs.6b06319","","","0.71073","MoKα","","0.1638","0.0873","","","0.1739","0.2179","","","","","","1.016","","","","has coordinates,has disorder","187921","2020-10-21","18:00:00",""
"4125196","16.436","0.007","10.063","0.004","18","0.008","90","","91.481","0.008","90","","2976","2","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C30 H46 B K N4 -","- C30 H46 B K N4 -","- C120 H184 B4 K4 N16 -","4","1","","Mukherjee, Debabrata; Osseili, Hassan; Spaniol, Thomas P.; Okuda, Jun","Alkali Metal Hydridotriphenylborates [(L)M][HBPh3] (M = Li, Na, K): Chemoselective Catalysts for Carbonyl and CO2 Hydroboration.","Journal of the American Chemical Society","2016","138","34","10790","10793","10.1021/jacs.6b06319","","","0.71073","MoKα","","0.1156","0.0747","","","0.163","0.1813","","","","","","1.073","","","","has coordinates","187921","2020-10-21","18:00:00",""
"4125197","11.66","0.005","11.66","0.005","13.306","0.005","90","","90","","120","","1566.7","1.1","110","2","110","2","","","","","","","","6","P -3","-P 3","147","","","","- C31 H46 B Li N4 O2 -","- C30.9999 H45.9999 B Li N4 O1.9998 -","- C61.9998 H91.9998 B2 Li2 N8 O3.9996 -","2","0.333333","","Mukherjee, Debabrata; Osseili, Hassan; Spaniol, Thomas P.; Okuda, Jun","Alkali Metal Hydridotriphenylborates [(L)M][HBPh3] (M = Li, Na, K): Chemoselective Catalysts for Carbonyl and CO2 Hydroboration.","Journal of the American Chemical Society","2016","138","34","10790","10793","10.1021/jacs.6b06319","","","0.71073","MoKα","","0.1271","0.0755","","","0.191","0.2199","","","","","","1.074","","","","has coordinates","187921","2020-10-21","18:00:00",""
"4125198","13.3224","0.0013","17.05","0.0017","17.6861","0.0018","99.8463","0.0017","111.99","0.0017","112.862","0.0016","3188.3","0.6","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C31 H46 B N4 Na O2 -","- C31 H46 B N4 Na O2 -","- C124 H184 B4 N16 Na4 O8 -","4","2","","Mukherjee, Debabrata; Osseili, Hassan; Spaniol, Thomas P.; Okuda, Jun","Alkali Metal Hydridotriphenylborates [(L)M][HBPh3] (M = Li, Na, K): Chemoselective Catalysts for Carbonyl and CO2 Hydroboration.","Journal of the American Chemical Society","2016","138","34","10790","10793","10.1021/jacs.6b06319","","","0.71073","MoKα","","0.1111","0.0732","","","0.1892","0.2145","","","","","","1.074","","","","has coordinates,has disorder","187921","2020-10-21","18:00:00",""
"4125199","9.57","0.002","19.486","0.004","17.762","0.004","90","","102.244","0.004","90","","3236.9","1.2","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C31 H46 B K N4 O2 -","- C31 H46 B K N4 O2 -","- C124 H184 B4 K4 N16 O8 -","4","1","","Mukherjee, Debabrata; Osseili, Hassan; Spaniol, Thomas P.; Okuda, Jun","Alkali Metal Hydridotriphenylborates [(L)M][HBPh3] (M = Li, Na, K): Chemoselective Catalysts for Carbonyl and CO2 Hydroboration.","Journal of the American Chemical Society","2016","138","34","10790","10793","10.1021/jacs.6b06319","","","0.71073","MoKα","","0.1024","0.0585","","","0.1218","0.141","","","","","","1.037","","","","has coordinates","187921","2020-10-21","18:00:00",""
"4125200","12.8244","0.0009","12.9947","0.0009","24.5725","0.0017","90","","90","","90","","4095","0.5","90","0.2","90","0.2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C43 H42 Co2 O4 P2 S Si -","- C43 H42 Co2 O4 P2 S Si -","- C172 H168 Co8 O16 P8 S4 Si4 -","4","1","","Terada, Masahiro; Ota, Yusuke; Li, Feng; Toda, Yasunori; Kondoh, Azusa","Enantioconvergent Nucleophilic Substitution Reaction of Racemic Alkyne-Dicobalt Complex (Nicholas Reaction) Catalyzed by Chiral Brønsted Acid.","Journal of the American Chemical Society","2016","138","34","11038","11043","10.1021/jacs.6b05948","","","1.54178","CuKα","","0.0362","0.0356","","","0.1085","0.1096","","","","","","0.985","","","","has coordinates","187920","2020-10-21","18:00:00",""
"4125201","16.638","0.0007","5.481","0.0003","33.4803","0.0015","90","","90","","90","","3053.2","0.3","125","","125","","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- C21 H15 F3 -","- C21 H15 F3 -","- C168 H120 F24 -","8","2","","Toriyama, Fumihiko; Cornella, Josep; Wimmer, Laurin; Chen, Tie-Gen; Dixon, Darryl D.; Creech, Gardner; Baran, Phil S.","Redox-Active Esters in Fe-Catalyzed C-C Coupling.","Journal of the American Chemical Society","2016","138","35","11132","11135","10.1021/jacs.6b07172","","x-ray","1.54178","CuKα","","0.0572","0.0481","","","0.1186","0.1244","","","","","","1.05","","","","has coordinates","187894","2020-10-21","18:00:00",""
"4125202","17.8244","0.0005","7.5148","0.0002","22.276","0.0006","90","","99.79","0.002","90","","2940.35","0.14","100","2","100","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C21 H18 O -","- C21 H18 O -","- C168 H144 O8 -","8","1","","Toriyama, Fumihiko; Cornella, Josep; Wimmer, Laurin; Chen, Tie-Gen; Dixon, Darryl D.; Creech, Gardner; Baran, Phil S.","Redox-Active Esters in Fe-Catalyzed C-C Coupling.","Journal of the American Chemical Society","2016","138","35","11132","11135","10.1021/jacs.6b07172","","x-ray","1.54178","CuKα","","0.0425","0.0392","","","0.1052","0.1081","","","","","","1.055","","","","has coordinates","187894","2020-10-21","18:00:00",""
"4125203","18.758","0.003","5.7669","0.0008","13.563","0.002","90","","110.826","0.004","90","","1371.3","0.4","100","2","100","","","","","","","","","3","P 1 2/c 1","-P 2yc","13","","","","- C19 H20 O -","- C19 H20 O -","- C76 H80 O4 -","4","1","","Toriyama, Fumihiko; Cornella, Josep; Wimmer, Laurin; Chen, Tie-Gen; Dixon, Darryl D.; Creech, Gardner; Baran, Phil S.","Redox-Active Esters in Fe-Catalyzed C-C Coupling.","Journal of the American Chemical Society","2016","138","35","11132","11135","10.1021/jacs.6b07172","","x-ray","0.71073","MoKα","","0.0909","0.0819","","","0.2146","0.2226","","","","","","1.089","","","","has coordinates,has disorder","187894","2020-10-21","18:00:00",""
"4125204","13.9066","0.0004","18.4465","0.0005","20.5506","0.0014","89.068","0.006","71.963","0.005","81.667","0.006","4957.5","0.4","93","2","93","2","","","","","","","","6","P -1","-P 1","2","","","","- C105 H141 Fe3 K N10 O6 -","- C105 H141 Fe3 K N10 O6 -","- C210 H282 Fe6 K2 N20 O12 -","2","1","","MacLeod, K. Cory; Menges, Fabian S.; McWilliams, Sean F.; Craig, Stephanie M.; Mercado, Brandon Q.; Johnson, Mark A.; Holland, Patrick L.","Alkali-Controlled C-H Cleavage or N-C Bond Formation by N2-Derived Iron Nitrides and Imides.","Journal of the American Chemical Society","2016","138","35","11185","11191","10.1021/jacs.6b04984","","","1.54187","CuKα","","0.3108","0.0684","","","0.1024","0.1609","","","","","","0.68","","","","has coordinates,has disorder","187895","2020-10-21","18:00:00",""
"4125205","13.6536","0.001","18.9103","0.0013","25.4722","0.0018","90","","101.305","0.003","90","","6449.2","0.8","93","2","93","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C71 H94 Fe3 N8 O -","- C71 H94 Fe3 N8 O -","- C284 H376 Fe12 N32 O4 -","4","1","","MacLeod, K. Cory; Menges, Fabian S.; McWilliams, Sean F.; Craig, Stephanie M.; Mercado, Brandon Q.; Johnson, Mark A.; Holland, Patrick L.","Alkali-Controlled C-H Cleavage or N-C Bond Formation by N2-Derived Iron Nitrides and Imides.","Journal of the American Chemical Society","2016","138","35","11185","11191","10.1021/jacs.6b04984","","","0.71073","MoKα","","0.0833","0.0466","","","0.1016","0.1228","","","","","","1.089","","","","has coordinates","187895","2020-10-21","18:00:00",""
"4125206","11.7403","0.0002","13.7572","0.0003","21.6519","0.0015","97.973","0.007","92.876","0.007","107.661","0.008","3284.2","0.3","93","2","93","2","","","","","","","","4","P -1","-P 1","2","","","","- C66 H81 Fe3 N8 -","- C66 H81 Fe3 N8 -","- C132 H162 Fe6 N16 -","2","1","","MacLeod, K. Cory; Menges, Fabian S.; McWilliams, Sean F.; Craig, Stephanie M.; Mercado, Brandon Q.; Johnson, Mark A.; Holland, Patrick L.","Alkali-Controlled C-H Cleavage or N-C Bond Formation by N2-Derived Iron Nitrides and Imides.","Journal of the American Chemical Society","2016","138","35","11185","11191","10.1021/jacs.6b04984","","","1.54187","CuKα","","0.0898","0.0763","","","0.2022","0.2139","","","","","","1.088","","","","has coordinates","187895","2020-10-21","18:00:00",""
"4125207","13.5997","0.001","18.2403","0.0013","20.2851","0.0014","88.986","0.002","84.849","0.002","85.023","0.002","4992.5","0.6","93","2","93","2","","","","","","","","6","P -1","-P 1","2","","","","- C86 H122 Fe3 K N8 O8 -","- C86 H122 Fe3 K N8 O8 -","- C172 H244 Fe6 K2 N16 O16 -","2","1","","MacLeod, K. Cory; Menges, Fabian S.; McWilliams, Sean F.; Craig, Stephanie M.; Mercado, Brandon Q.; Johnson, Mark A.; Holland, Patrick L.","Alkali-Controlled C-H Cleavage or N-C Bond Formation by N2-Derived Iron Nitrides and Imides.","Journal of the American Chemical Society","2016","138","35","11185","11191","10.1021/jacs.6b04984","","","1.54178","CuKα","","0.1941","0.098","","","0.2278","0.2863","","","","","","1.023","","","","has coordinates,has disorder","187895","2020-10-21","18:00:00",""
"4125208","27.2669","0.0019","18.0306","0.0004","20.0074","0.0004","90","","95.201","0.007","90","","9795.9","0.8","93","2","93","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C78 H107 Fe3 K N8 O6 -","- C78 H107 Fe3 K N8 O6 -","- C312 H428 Fe12 K4 N32 O24 -","4","1","","MacLeod, K. Cory; Menges, Fabian S.; McWilliams, Sean F.; Craig, Stephanie M.; Mercado, Brandon Q.; Johnson, Mark A.; Holland, Patrick L.","Alkali-Controlled C-H Cleavage or N-C Bond Formation by N2-Derived Iron Nitrides and Imides.","Journal of the American Chemical Society","2016","138","35","11185","11191","10.1021/jacs.6b04984","","","1.54187","CuKα","","0.0744","0.0435","","","0.0709","0.0791","","","","","","0.889","","","","has coordinates","187895","2020-10-21","18:00:00",""
"4125209","12.6555","0.0007","15.1068","0.0009","16.1136","0.0009","85.1546","0.0012","88.2286","0.0013","75.2419","0.0012","2968.2","0.3","100","0.5","100","0.5","","","","","","","","5","P -1","-P 1","2","eishl02","","","- C56 H88 Fe2 N2 S8 -","- C56 H88 Fe2 N2 S8 -","- C112 H176 Fe4 N4 S16 -","2","1","","Lv, Hongjin; Ruberu, T Purnima A; Fleischauer, Valerie E.; Brennessel, William W.; Neidig, Michael L.; Eisenberg, Richard","Catalytic Light-Driven Generation of Hydrogen from Water by Iron Dithiolene Complexes.","Journal of the American Chemical Society","2016","138","36","11654","11663","10.1021/jacs.6b05040","","","0.71073","MoKα","","0.1","0.0551","","","0.1174","0.1373","","","","","","0.932","","","","has coordinates","187900","2020-10-21","18:00:00",""
"4125210","34.115","0.002","34.115","0.002","15.1763","0.0009","90","","90","","120","","15296.3","1.6","100","0.5","100","0.5","","","","","","","","5","R -3 :H","-R 3","148","eishl03","","","- C60 H96 Fe2 N2 S8 -","- C60 H96 Fe2 N2 S8 -","- C540 H864 Fe18 N18 S72 -","9","0.5","","Lv, Hongjin; Ruberu, T Purnima A; Fleischauer, Valerie E.; Brennessel, William W.; Neidig, Michael L.; Eisenberg, Richard","Catalytic Light-Driven Generation of Hydrogen from Water by Iron Dithiolene Complexes.","Journal of the American Chemical Society","2016","138","36","11654","11663","10.1021/jacs.6b05040","","","0.71073","MoKα","","0.1164","0.0588","","","0.146","0.1829","","","","","","1.01","","","","has coordinates,has disorder","187900","2020-10-21","18:00:00",""
"4125211","14.0308","0.0012","16.9507","0.0014","14.2666","0.0012","90","","103.778","0.0018","90","","3295.4","0.5","100","0.5","100","0.5","","","","","","","","6","P 1 21/n 1","-P 2yn","14","eishl01","","","- C56 H80 Cl8 Fe2 N2 S8 -","- C56 H80 Cl8 Fe2 N2 S8 -","- C112 H160 Cl16 Fe4 N4 S16 -","2","0.5","","Lv, Hongjin; Ruberu, T Purnima A; Fleischauer, Valerie E.; Brennessel, William W.; Neidig, Michael L.; Eisenberg, Richard","Catalytic Light-Driven Generation of Hydrogen from Water by Iron Dithiolene Complexes.","Journal of the American Chemical Society","2016","138","36","11654","11663","10.1021/jacs.6b05040","","","0.71073","MoKα","","0.0793","0.0532","","","0.1338","0.1511","","","","","","1.022","","","","has coordinates","187900","2020-10-21","18:00:00",""
"4125212","13.9394","0.0008","18.7636","0.0011","15.3821","0.0009","90","","115.958","0.0012","90","","3617.3","0.4","100","0.5","100","0.5","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","eishl04","","","- C56 H72 Cl16 Fe2 N2 S8 -","- C56 H72 Cl16 Fe2 N2 S8 -","- C112 H144 Cl32 Fe4 N4 S16 -","2","0.5","","Lv, Hongjin; Ruberu, T Purnima A; Fleischauer, Valerie E.; Brennessel, William W.; Neidig, Michael L.; Eisenberg, Richard","Catalytic Light-Driven Generation of Hydrogen from Water by Iron Dithiolene Complexes.","Journal of the American Chemical Society","2016","138","36","11654","11663","10.1021/jacs.6b05040","","","0.71073","MoKα","","0.0884","0.0574","","","0.1494","0.1732","","","","","","1.034","","","","has coordinates","187900","2020-10-21","18:00:00",""
"4125213","15.7207","0.001","24.401","0.0016","19.1401","0.0013","90","","108.67","0.003","90","","6955.8","0.8","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C84 H152 Au Cl4 O76 Rb -","- C84 H152 Au Cl4 O76 Rb -","- C168 H304 Au2 Cl8 O152 Rb2 -","2","1","","Liu, Zhichang; Samanta, Avik; Lei, Juying; Sun, Junling; Wang, Yuping; Stoddart, J. Fraser","Cation-Dependent Gold Recovery with α-Cyclodextrin Facilitated by Second-Sphere Coordination.","Journal of the American Chemical Society","2016","138","36","11643","11653","10.1021/jacs.6b04986","","","1.54178","CuKα","","0.0849","0.081","","","0.2185","0.2247","","","","","","1.047","","","","has coordinates,has disorder","187901","2020-10-21","18:00:00",""
"4125214","13.6582","0.0007","13.9202","0.0007","15.6235","0.0009","93.585","0.002","89.976","0.002","118.879","0.0017","2594.4","0.2","100","2","100.01","","","","","","","","","6","P 1","P 1","1","","","","- C72 H130 Au0.75 Cl4 Na O65 -","- C72 H130 Au0.75 Cl4 Na O65 -","- C72 H130 Au0.75 Cl4 Na O65 -","1","1","","Liu, Zhichang; Samanta, Avik; Lei, Juying; Sun, Junling; Wang, Yuping; Stoddart, J. Fraser","Cation-Dependent Gold Recovery with α-Cyclodextrin Facilitated by Second-Sphere Coordination.","Journal of the American Chemical Society","2016","138","36","11643","11653","10.1021/jacs.6b04986","","","1.54178","CuKα","","0.0989","0.0936","","","0.2476","0.2555","","","","","","1.046","","","","has coordinates,has disorder","187901","2020-10-21","18:00:00",""
"4125215","23.7355","0.0011","23.7355","0.0011","22.8031","0.0011","90","","90","","90","","12846.7","1","100","2","99.96","","","","","","","","","6","P 4 21 2","P 4ab 2ab","90","","","","- C288 H504 Au Cl4 O256 Rb2 -","- C288 H504 Au Cl4 O256 Rb2 -","- C288 H504 Au Cl4 O256 Rb2 -","1","0.125","","Liu, Zhichang; Samanta, Avik; Lei, Juying; Sun, Junling; Wang, Yuping; Stoddart, J. Fraser","Cation-Dependent Gold Recovery with α-Cyclodextrin Facilitated by Second-Sphere Coordination.","Journal of the American Chemical Society","2016","138","36","11643","11653","10.1021/jacs.6b04986","","","1.54178","CuKα","","0.0755","0.0716","","","0.2132","0.2184","","","","","","1.047","","","","has coordinates,has disorder","187901","2020-10-21","18:00:00",""
"4125216","13.951","0.0005","23.8573","0.001","16.0436","0.0006","90","","96.2619","0.0019","90","","5308","0.4","100","2","100.04","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C72 H130 Au Cl4 O65 Rb -","- C72 H130 Au Cl4 O65 Rb -","- C144 H260 Au2 Cl8 O130 Rb2 -","2","1","","Liu, Zhichang; Samanta, Avik; Lei, Juying; Sun, Junling; Wang, Yuping; Stoddart, J. Fraser","Cation-Dependent Gold Recovery with α-Cyclodextrin Facilitated by Second-Sphere Coordination.","Journal of the American Chemical Society","2016","138","36","11643","11653","10.1021/jacs.6b04986","","","1.54178","CuKα","","0.0366","0.0363","","","0.0962","0.0967","","","","","","1.028","","","","has coordinates","187901","2020-10-21","18:00:00",""
"4125217","15.7324","0.0009","24.3405","0.0013","19.2739","0.0012","90","","108.952","0.003","90","","6980.5","0.7","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C84 H152 Au0.8 Cl3.2 Na0.8 O76 -","- C84 H152 Au0.8 Cl3.2 Na0.8 O76 -","- C168 H304 Au1.6 Cl6.4 Na1.6 O152 -","2","1","","Liu, Zhichang; Samanta, Avik; Lei, Juying; Sun, Junling; Wang, Yuping; Stoddart, J. Fraser","Cation-Dependent Gold Recovery with α-Cyclodextrin Facilitated by Second-Sphere Coordination.","Journal of the American Chemical Society","2016","138","36","11643","11653","10.1021/jacs.6b04986","","","1.54178","CuKα","","0.0475","0.0469","","","0.1276","0.1284","","","","","","1.02","","","","has coordinates","187901","2020-10-21","18:00:00",""
"4125218","23.7683","0.0016","14.1475","0.0009","16.2856","0.0011","90","","90","","90","","5476.2","0.6","100","2","100","2","","","","","","","","6","P 21 21 2","P 2 2ab","18","","","","- C72 H122 Au Br4 Na O61 -","- C72 H122 Au Br4 Na O61 -","- C144 H244 Au2 Br8 Na2 O122 -","2","0.5","","Liu, Zhichang; Samanta, Avik; Lei, Juying; Sun, Junling; Wang, Yuping; Stoddart, J. Fraser","Cation-Dependent Gold Recovery with α-Cyclodextrin Facilitated by Second-Sphere Coordination.","Journal of the American Chemical Society","2016","138","36","11643","11653","10.1021/jacs.6b04986","","","1.54178","CuKα","","0.0553","0.0548","","","0.1535","0.1542","","","","","","1.073","","","","has coordinates,has disorder","187901","2020-10-21","18:00:00",""
"4125219","23.6486","0.0004","23.6486","0.0004","22.7925","0.0005","90","","90","","90","","12746.8","0.4","100","2","99.97","","","","","","","","","6","P 4 21 2","P 4ab 2ab","90","","","","- C144 H264 Au Br4 Na O135 -","- C144 H264 Au0.999 Br4 Na O135 -","- C288 H528 Au1.998 Br8 Na2 O270 -","2","0.25","","Liu, Zhichang; Samanta, Avik; Lei, Juying; Sun, Junling; Wang, Yuping; Stoddart, J. Fraser","Cation-Dependent Gold Recovery with α-Cyclodextrin Facilitated by Second-Sphere Coordination.","Journal of the American Chemical Society","2016","138","36","11643","11653","10.1021/jacs.6b04986","","","1.54178","CuKα","","0.0834","0.0613","","","0.1603","0.1688","","","","","","0.937","","","","has coordinates,has disorder","187901","2020-10-21","18:00:00",""
"4125220","23.7386","0.0006","23.7386","0.0006","22.7883","0.0006","90","","90","","90","","12841.7","0.6","100","2","99.95","","","","","","","","","6","P 4 21 2","P 4ab 2ab","90","","","","- C288 H488 Au Br4 O248 Rb2 -","- C288 H488 Au Br4 O248 Rb2.0008 -","- C288 H488 Au Br4 O248 Rb2.0008 -","1","0.125","","Liu, Zhichang; Samanta, Avik; Lei, Juying; Sun, Junling; Wang, Yuping; Stoddart, J. Fraser","Cation-Dependent Gold Recovery with α-Cyclodextrin Facilitated by Second-Sphere Coordination.","Journal of the American Chemical Society","2016","138","36","11643","11653","10.1021/jacs.6b04986","","","1.54178","CuKα","","0.0897","0.0758","","","0.2044","0.2172","","","","","","1.009","","","","has coordinates","187901","2020-10-21","18:00:00",""
"4125221","15.8404","0.0004","24.5602","0.0006","19.0823","0.0006","90","","108.399","0.002","90","","7044.3","0.3","100","2","99.95","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C84 H164 Au0.78 Br3.1 O82 Rb0.78 -","- C84 H164 Au0.775 Br3.1 O82 Rb0.775 -","- C168 H328 Au1.55 Br6.2 O164 Rb1.55 -","2","1","","Liu, Zhichang; Samanta, Avik; Lei, Juying; Sun, Junling; Wang, Yuping; Stoddart, J. Fraser","Cation-Dependent Gold Recovery with α-Cyclodextrin Facilitated by Second-Sphere Coordination.","Journal of the American Chemical Society","2016","138","36","11643","11653","10.1021/jacs.6b04986","","","1.54178","CuKα","","0.0748","0.069","","","0.1875","0.1938","","","","","","1.064","","","","has coordinates,has disorder","187901","2020-10-21","18:00:00",""
"4125222","23.761","0.012","23.761","0.012","22.836","0.017","90","","90","","90","","12893","13","100","2","100.03","","","","","","","","","6","P 4 21 2","P 4ab 2ab","90","","","","- C288 H480 Au Cl4 Na O241 -","- C288 H480 Au Cl4 Na O241 -","- C288 H480 Au Cl4 Na O241 -","1","0.125","","Liu, Zhichang; Samanta, Avik; Lei, Juying; Sun, Junling; Wang, Yuping; Stoddart, J. Fraser","Cation-Dependent Gold Recovery with α-Cyclodextrin Facilitated by Second-Sphere Coordination.","Journal of the American Chemical Society","2016","138","36","11643","11653","10.1021/jacs.6b04986","","","0.71073","MoKα","","0.1041","0.081","","","0.2361","0.2521","","","","","","1.043","","","","has coordinates,has disorder","187901","2020-10-21","18:00:00",""
"4125223","16.3326","0.0007","14.2587","0.0006","23.6886","0.0009","90","","90.021","0.002","90","","5516.6","0.4","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C72 H139 Au0.89 Br3.76 Cs1.1 O69.5 -","- C72 H139.01 Au0.885 Br3.761 Cs1.102 O69.505 -","- C144 H278.02 Au1.77 Br7.522 Cs2.204 O139.01 -","2","1","","Liu, Zhichang; Samanta, Avik; Lei, Juying; Sun, Junling; Wang, Yuping; Stoddart, J. Fraser","Cation-Dependent Gold Recovery with α-Cyclodextrin Facilitated by Second-Sphere Coordination.","Journal of the American Chemical Society","2016","138","36","11643","11653","10.1021/jacs.6b04986","","","1.54178","CuKα","","0.0581","0.058","","","0.1582","0.1583","","","","","","1.033","","","","has coordinates,has disorder","187901","2020-10-21","18:00:00",""
"4125224","16.3791","0.001","14.2585","0.0008","23.6538","0.0013","90","","90.259","0.003","90","","5524.1","0.5","100","2","100","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C74 H142 Au Br4 O69 Rb -","- C74 H142 Au Br4 O69 Rb -","- C148 H284 Au2 Br8 O138 Rb2 -","2","1","","Liu, Zhichang; Samanta, Avik; Lei, Juying; Sun, Junling; Wang, Yuping; Stoddart, J. Fraser","Cation-Dependent Gold Recovery with α-Cyclodextrin Facilitated by Second-Sphere Coordination.","Journal of the American Chemical Society","2016","138","36","11643","11653","10.1021/jacs.6b04986","","","1.54178","CuKα","","0.0513","0.0512","","","0.1421","0.1424","","","","","","1.074","","","","has coordinates,has disorder","187901","2020-10-21","18:00:00",""
"4125225","9.3703","0.0004","9.8045","0.0004","17.2896","0.0008","92.27","0.002","92.092","0.002","93.949","0.002","1582.17","0.12","100","","100","","","","","","","","","4","P -1","-P 1","2","","","","- C42 H45 B N2 -","- C42 H45 B N2 -","- C84 H90 B2 N4 -","2","1","","Wang, Xinyang; Zhang, Fan; Schellhammer, Karl Sebastian; Machata, Peter; Ortmann, Frank; Cuniberti, Gianaurelio; Fu, Yubin; Hunger, Jens; Tang, Ruizhi; Popov, Alexey A.; Berger, Reinhard; Müllen, Klaus; Feng, Xinliang","Synthesis of NBN-Type Zigzag-Edged Polycyclic Aromatic Hydrocarbons: 1,9-Diaza-9a-boraphenalene as a Structural Motif.","Journal of the American Chemical Society","2016","138","36","11606","11615","10.1021/jacs.6b04445","","x-ray","0.71073","MoKα","","0.0643","0.045","","","0.1152","0.1244","","","","","","0.95","","","","has coordinates","187902","2020-10-21","18:00:00",""
"4125226","23.6678","0.0015","21.434","0.0013","9.937","0.0006","90","","96.896","0.002","90","","5004.5","0.5","200","2","200","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C30 H37 B N2 -","- C30 H37 B N2 -","- C240 H296 B8 N16 -","8","2","","Wang, Xinyang; Zhang, Fan; Schellhammer, Karl Sebastian; Machata, Peter; Ortmann, Frank; Cuniberti, Gianaurelio; Fu, Yubin; Hunger, Jens; Tang, Ruizhi; Popov, Alexey A.; Berger, Reinhard; Müllen, Klaus; Feng, Xinliang","Synthesis of NBN-Type Zigzag-Edged Polycyclic Aromatic Hydrocarbons: 1,9-Diaza-9a-boraphenalene as a Structural Motif.","Journal of the American Chemical Society","2016","138","36","11606","11615","10.1021/jacs.6b04445","","","0.71073","MoKα","","0.0884","0.0395","","","0.0648","0.0747","","","","","","0.836","","","","has coordinates","187902","2020-10-21","18:00:00",""
"4125227","27.373","0.002","27.373","0.002","18.5827","0.0017","90","","90","","90","","13923.7","1.9","100","2","100","2","","","","","","","","5","I 4 m m","I 4 -2","107","mer-MeMeCH2@ZIF-10-xDMF","mer-MeMeCH2@Zn16Im32-xDMF","","- C247 H395 N101 O45 Zn16 -","- C136 H136 N64 O8 Zn16 -","- C272 H272 N128 O16 Zn32 -","2","0.125","","Ramirez, Joseph R.; Yang, Haiyang; Kane, Christopher M.; Ley, Amanda N.; Holman, K. Travis","Reproducible Synthesis and High Porosity of mer-Zn(Im)2 (ZIF-10): Exploitation of an Apparent Double-Eight Ring Template.","Journal of the American Chemical Society","2016","138","37","12017","12020","10.1021/jacs.6b06375","","","0.71073","MoKα","","0.1159","0.0582","","","0.1701","0.1952","","","","","","0.992","","","","has coordinates,has disorder","187919","2020-10-21","18:00:00",""
"4125228","8.1727","0.0003","12.9877","0.0005","19.1341","0.0007","90","","90","","90","","2030.98","0.13","200","2","200","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C25 H29 N O -","- C25 H29 N O -","- C100 H116 N4 O4 -","4","1","","Zhou, Qi; Cobb, Kelsey M.; Tan, Tianyu; Watson, Mary P.","Stereospecific Cross Couplings To Set Benzylic, All-Carbon Quaternary Stereocenters in High Enantiopurity.","Journal of the American Chemical Society","2016","138","37","12057","12060","10.1021/jacs.6b08075","","","1.54178","CuKα","","0.0544","0.0492","","","0.1479","0.155","","","","","","1.171","","","","has coordinates","187918","2020-10-21","18:00:00",""
"4125229","21.7695","0.0007","5.8807","0.0002","10.4637","0.0003","90","","97.282","0.002","90","","1328.76","0.07","200","2","200","2","","","","","","","","3","C 1 2 1","C 2y","5","","","","- C16 H18 O2 -","- C16 H18 O2 -","- C64 H72 O8 -","4","1","","Zhou, Qi; Cobb, Kelsey M.; Tan, Tianyu; Watson, Mary P.","Stereospecific Cross Couplings To Set Benzylic, All-Carbon Quaternary Stereocenters in High Enantiopurity.","Journal of the American Chemical Society","2016","138","37","12057","12060","10.1021/jacs.6b08075","","","1.54178","CuKα","","0.0359","0.0349","","","0.0937","0.0948","","","","","","1.035","","","","has coordinates","187918","2020-10-21","18:00:00",""
"4125230","19.756","0.009","11.388","0.005","8.946","0.004","90","","90","","90","","2012.7","1.6","293","2","293","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C20 H22 Cl2 N2 O4 -","- C20 H22 Cl2 N2 O4 -","- C80 H88 Cl8 N8 O16 -","4","1","","Yao, Zi-Shuo; Yamamoto, Kaoru; Cai, Hong-Ling; Takahashi, Kazuyuki; Sato, Osamu","Above Room Temperature Organic Ferroelectrics: Diprotonated 1,4-Diazabicyclo[2.2.2]octane Shifts between Two 2-Chlorobenzoates.","Journal of the American Chemical Society","2016","138","37","12005","12008","10.1021/jacs.6b03747","","","0.71075","MoKα","","0.0485","0.043","","","0.1248","0.1336","","","","","","0.942","","","","has coordinates","187917","2020-10-21","18:00:00",""
"4125231","9.086","0.006","11.473","0.008","19.916","0.013","90","","90","","90","","2076","2","343","2","343","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C20 H20 Cl2 D2 N2 O4 -","- C20 H20 Cl2 D2 N2 O4 -","- C80 H80 Cl8 D8 N8 O16 -","4","0.5","","Yao, Zi-Shuo; Yamamoto, Kaoru; Cai, Hong-Ling; Takahashi, Kazuyuki; Sato, Osamu","Above Room Temperature Organic Ferroelectrics: Diprotonated 1,4-Diazabicyclo[2.2.2]octane Shifts between Two 2-Chlorobenzoates.","Journal of the American Chemical Society","2016","138","37","12005","12008","10.1021/jacs.6b03747","","","0.71075","MoKα","","0.1325","0.0589","","","0.145","0.1804","","","","","","0.822","","","","has coordinates,has disorder","187917","2020-10-21","18:00:00",""
"4125232","19.787","0.009","11.403","0.005","8.953","0.004","90","","90","","90","","2020.1","1.6","298","2","298","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C20 H20 Cl2 D2 N2 O4 -","- C20 H20 Cl2 D2 N2 O4 -","- C80 H80 Cl8 D8 N8 O16 -","4","1","","Yao, Zi-Shuo; Yamamoto, Kaoru; Cai, Hong-Ling; Takahashi, Kazuyuki; Sato, Osamu","Above Room Temperature Organic Ferroelectrics: Diprotonated 1,4-Diazabicyclo[2.2.2]octane Shifts between Two 2-Chlorobenzoates.","Journal of the American Chemical Society","2016","138","37","12005","12008","10.1021/jacs.6b03747","","","0.71073","MoKα","","0.0597","0.0443","","","0.1053","0.1138","","","","","","0.893","","","","has coordinates","187917","2020-10-21","18:00:00",""
"4125233","19.745","0.005","11.357","0.003","8.896","0.0019","90","","90","","90","","1994.9","0.8","223","2","223","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C20 H22 Cl2 N2 O4 -","- C20 H22 Cl2 N2 O4 -","- C80 H88 Cl8 N8 O16 -","4","1","","Yao, Zi-Shuo; Yamamoto, Kaoru; Cai, Hong-Ling; Takahashi, Kazuyuki; Sato, Osamu","Above Room Temperature Organic Ferroelectrics: Diprotonated 1,4-Diazabicyclo[2.2.2]octane Shifts between Two 2-Chlorobenzoates.","Journal of the American Chemical Society","2016","138","37","12005","12008","10.1021/jacs.6b03747","","","0.71075","MoKα","","0.0327","0.0325","","","0.105","0.1059","","","","","","1.005","","","","has coordinates","187917","2020-10-21","18:00:00",""
"4125234","9.083","0.007","11.433","0.009","19.797","0.018","90","","90","","90","","2056","3","338","2","338","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C20 H22 Cl2 N2 O4 -","- C20 H22 Cl2 N2 O4 -","- C80 H88 Cl8 N8 O16 -","4","0.5","","Yao, Zi-Shuo; Yamamoto, Kaoru; Cai, Hong-Ling; Takahashi, Kazuyuki; Sato, Osamu","Above Room Temperature Organic Ferroelectrics: Diprotonated 1,4-Diazabicyclo[2.2.2]octane Shifts between Two 2-Chlorobenzoates.","Journal of the American Chemical Society","2016","138","37","12005","12008","10.1021/jacs.6b03747","","","0.71075","MoKα","","0.1198","0.0701","","","0.1754","0.2032","","","","","","1.13","","","","has coordinates,has disorder","187917","2020-10-21","18:00:00",""
"4125235","17.5558","0.001","7.0307","0.0004","17.5147","0.0009","90","","106.484","0.006","90","","2073","0.2","293.15","","293.15","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C12 H10 N4 -","- C12 H10 N4 -","- C96 H80 N32 -","8","2","","Wu, Jie; Cheng, Yangyang; Lan, Jingbo; Wu, Di; Qian, Shengyou; Yan, Lipeng; He, Zhen; Li, Xiaoyu; Wang, Kai; Zou, Bo; You, Jingsong","Molecular Engineering of Mechanochromic Materials by Programmed C-H Arylation: Making a Counterpoint in the Chromism Trend.","Journal of the American Chemical Society","2016","138","39","12803","12812","10.1021/jacs.6b03890","","","0.7107","MoKα","","0.0863","0.0577","","","0.1307","0.1441","","","","","","1.116","","","","has coordinates","187893","2020-10-21","18:00:00",""
"4125236","15.0395","0.0016","7.5585","0.0007","35.865","0.004","90","","101.24","0.01","90","","3998.8","0.7","143.05","0.1","143.05","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C39 H21 Cl3 F12 N8 -","- C39 H21 Cl3 F12 N8 -","- C156 H84 Cl12 F48 N32 -","4","1","","Wu, Jie; Cheng, Yangyang; Lan, Jingbo; Wu, Di; Qian, Shengyou; Yan, Lipeng; He, Zhen; Li, Xiaoyu; Wang, Kai; Zou, Bo; You, Jingsong","Molecular Engineering of Mechanochromic Materials by Programmed C-H Arylation: Making a Counterpoint in the Chromism Trend.","Journal of the American Chemical Society","2016","138","39","12803","12812","10.1021/jacs.6b03890","","x-ray","0.71073","MoKα","","0.1331","0.0853","","","0.2497","0.2992","","","","","","1.093","","","","has coordinates,has disorder","187893","2020-10-21","18:00:00",""
"4125237","33.375","0.003","8.0465","0.0005","32.417","0.004","90","","115.826","0.013","90","","7836.1","1.6","293","2","293.15","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C23 H20.03 N6 -","- C23 H20.036 N6 -","- C368 H320.576 N96 -","16","2","","Wu, Jie; Cheng, Yangyang; Lan, Jingbo; Wu, Di; Qian, Shengyou; Yan, Lipeng; He, Zhen; Li, Xiaoyu; Wang, Kai; Zou, Bo; You, Jingsong","Molecular Engineering of Mechanochromic Materials by Programmed C-H Arylation: Making a Counterpoint in the Chromism Trend.","Journal of the American Chemical Society","2016","138","39","12803","12812","10.1021/jacs.6b03890","","x-ray","0.71073","MoKα","","0.1042","0.0602","","","0.1454","0.1759","","","","","","1.019","","","","has coordinates,has disorder","187893","2020-10-21","18:00:00",""
"4125238","20.468","0.002","7.5319","0.0007","27.491","0.003","90","","101.425","0.009","90","","4154.1","0.7","143","0.1","143","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C41 H25 Cl3 F12 N8 -","- C41 H25 Cl3 F12 N8 -","- C164 H100 Cl12 F48 N32 -","4","1","","Wu, Jie; Cheng, Yangyang; Lan, Jingbo; Wu, Di; Qian, Shengyou; Yan, Lipeng; He, Zhen; Li, Xiaoyu; Wang, Kai; Zou, Bo; You, Jingsong","Molecular Engineering of Mechanochromic Materials by Programmed C-H Arylation: Making a Counterpoint in the Chromism Trend.","Journal of the American Chemical Society","2016","138","39","12803","12812","10.1021/jacs.6b03890","","x-ray","0.71073","MoKα","","0.1193","0.0727","","","0.207","0.2446","","","","","","1.07","","","","has coordinates,has disorder","187893","2020-10-21","18:00:00",""
"4125239","13.35","0.0003","10.0002","0.0002","27.9606","0.0007","90","","98.304","0.002","90","","3693.68","0.15","293.15","","293.15","","","","","","","","","4","I 1 2/c 1","-I 2yc","15","","","","- C20 H12 F6 N4 -","- C20 H12 F6 N4 -","- C160 H96 F48 N32 -","8","1","","Wu, Jie; Cheng, Yangyang; Lan, Jingbo; Wu, Di; Qian, Shengyou; Yan, Lipeng; He, Zhen; Li, Xiaoyu; Wang, Kai; Zou, Bo; You, Jingsong","Molecular Engineering of Mechanochromic Materials by Programmed C-H Arylation: Making a Counterpoint in the Chromism Trend.","Journal of the American Chemical Society","2016","138","39","12803","12812","10.1021/jacs.6b03890","","x-ray","1.54184","CuKα","","0.0919","0.0837","","","0.2462","0.2585","","","","","","1.086","","","","has coordinates,has disorder","187893","2020-10-21","18:00:00",""
"4125240","7.6508","0.0004","8.3307","0.0004","13.624","0.0006","100.727","0.004","99.114","0.004","98.267","0.004","828.86","0.07","293","","293","","","","","","","","","4","P -1","-P 1","2","","","","- C19 H16 Cl N5 -","- C19 H16 Cl N5 -","- C38 H32 Cl2 N10 -","2","1","","Wu, Jie; Cheng, Yangyang; Lan, Jingbo; Wu, Di; Qian, Shengyou; Yan, Lipeng; He, Zhen; Li, Xiaoyu; Wang, Kai; Zou, Bo; You, Jingsong","Molecular Engineering of Mechanochromic Materials by Programmed C-H Arylation: Making a Counterpoint in the Chromism Trend.","Journal of the American Chemical Society","2016","138","39","12803","12812","10.1021/jacs.6b03890","","x-ray","1.54184","CuKα","","0.0603","0.0549","","","0.1463","0.1554","","","","","","1.049","","","","has coordinates","187893","2020-10-21","18:00:00",""
"4125241","7.4714","0.0005","9.4834","0.0004","15.0286","0.0009","77.253","0.004","76.24","0.005","83.065","0.004","1006.17","0.1","293","2","293.15","","","","","","","","","4","P -1","-P 1","2","","","","- C21 H15 F6 N5 -","- C21 H15 F6 N5 -","- C42 H30 F12 N10 -","2","1","","Wu, Jie; Cheng, Yangyang; Lan, Jingbo; Wu, Di; Qian, Shengyou; Yan, Lipeng; He, Zhen; Li, Xiaoyu; Wang, Kai; Zou, Bo; You, Jingsong","Molecular Engineering of Mechanochromic Materials by Programmed C-H Arylation: Making a Counterpoint in the Chromism Trend.","Journal of the American Chemical Society","2016","138","39","12803","12812","10.1021/jacs.6b03890","","","0.71073","MoKα","","0.1016","0.0678","","","0.1693","0.1962","","","","","","1.049","","","","has coordinates,has disorder","187893","2020-10-21","18:00:00",""
"4125242","7.8375","0.0003","14.804","0.0005","18.762","0.0006","76.578","0.003","86.891","0.003","87.608","0.003","2113.36","0.13","143","0.1","143","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C43 H32 Cl2 F12 N10 -","- C43 H32 Cl2 F12 N10 -","- C86 H64 Cl4 F24 N20 -","2","1","","Wu, Jie; Cheng, Yangyang; Lan, Jingbo; Wu, Di; Qian, Shengyou; Yan, Lipeng; He, Zhen; Li, Xiaoyu; Wang, Kai; Zou, Bo; You, Jingsong","Molecular Engineering of Mechanochromic Materials by Programmed C-H Arylation: Making a Counterpoint in the Chromism Trend.","Journal of the American Chemical Society","2016","138","39","12803","12812","10.1021/jacs.6b03890","","","0.71073","MoKα","","0.0978","0.0625","","","0.1386","0.1609","","","","","","1.031","","","","has coordinates,has disorder","187893","2020-10-21","18:00:00",""
"4125243","7.6566","0.0006","30.6548","0.0015","7.8558","0.0006","90","","115.192","0.009","90","","1668.5","0.2","293","","293","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C20 H16 N6 -","- C20 H16 N6 -","- C80 H64 N24 -","4","1","","Wu, Jie; Cheng, Yangyang; Lan, Jingbo; Wu, Di; Qian, Shengyou; Yan, Lipeng; He, Zhen; Li, Xiaoyu; Wang, Kai; Zou, Bo; You, Jingsong","Molecular Engineering of Mechanochromic Materials by Programmed C-H Arylation: Making a Counterpoint in the Chromism Trend.","Journal of the American Chemical Society","2016","138","39","12803","12812","10.1021/jacs.6b03890","","x-ray","1.54184","CuKα","","0.0667","0.0603","","","0.1674","0.1783","","","","","","1.026","","","","has coordinates","187893","2020-10-21","18:00:00",""
"4125244","7.0493","0.0004","9.2417","0.0008","15.1514","0.0011","94.912","0.007","103.007","0.006","111.772","0.007","877.41","0.13","293","2","293.15","","","","","","","","","4","P -1","-P 1","2","","","","- C19 H10 F6 N4 -","- C19 H10 F6 N4 -","- C38 H20 F12 N8 -","2","1","","Wu, Jie; Cheng, Yangyang; Lan, Jingbo; Wu, Di; Qian, Shengyou; Yan, Lipeng; He, Zhen; Li, Xiaoyu; Wang, Kai; Zou, Bo; You, Jingsong","Molecular Engineering of Mechanochromic Materials by Programmed C-H Arylation: Making a Counterpoint in the Chromism Trend.","Journal of the American Chemical Society","2016","138","39","12803","12812","10.1021/jacs.6b03890","","","0.71073","MoKα","","0.1084","0.0703","","","0.1716","0.2125","","","","","","1.036","","","","has coordinates,has disorder","187893","2020-10-21","18:00:00",""
"4125245","6.3116","0.0003","19.0781","0.0012","9.8328","0.0006","90","","99.199","0.005","90","","1168.77","0.12","293","2","293.15","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C14 H13 N4 -","- C13 H13 N5 -","- C52 H52 N20 -","4","1","","Wu, Jie; Cheng, Yangyang; Lan, Jingbo; Wu, Di; Qian, Shengyou; Yan, Lipeng; He, Zhen; Li, Xiaoyu; Wang, Kai; Zou, Bo; You, Jingsong","Molecular Engineering of Mechanochromic Materials by Programmed C-H Arylation: Making a Counterpoint in the Chromism Trend.","Journal of the American Chemical Society","2016","138","39","12803","12812","10.1021/jacs.6b03890","","","0.71073","MoKα","","0.0685","0.047","","","0.1092","0.1236","","","","","","1.031","","","","has coordinates","187893","2020-10-21","18:00:00",""
"4125246","13.4857","0.0006","8.272","0.0004","19.9081","0.0008","90","","101.058","0.004","90","","2179.59","0.17","173","2","173","2","","","","","","","","4","P 1 2/n 1","-P 2yac","13","","","","- C46 H58 Mg2 N4 -","- C46 H58 Mg2 N4 -","- C92 H116 Mg4 N8 -","2","0.5","","Bakewell, Clare; White, Andrew J. P.; Crimmin, Mark R.","Addition of Carbon-Fluorine Bonds to a Mg(I)-Mg(I) Bond: An Equivalent of Grignard Formation in Solution.","Journal of the American Chemical Society","2016","138","39","12763","12766","10.1021/jacs.6b08104","","","1.54184","CuKα","","0.0792","0.0502","","","0.1243","0.1472","","","","","","1","","","","has coordinates","187891","2020-10-21","18:00:00",""
"4125247","12.8601","0.0011","15.9403","0.0014","18.1538","0.0013","84.244","0.007","89.38","0.006","88.675","0.007","3701.5","0.5","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C39 H49 F5 Mg N2 O -","- C39 H49 F5 Mg N2 O -","- C156 H196 F20 Mg4 N8 O4 -","4","2","","Bakewell, Clare; White, Andrew J. P.; Crimmin, Mark R.","Addition of Carbon-Fluorine Bonds to a Mg(I)-Mg(I) Bond: An Equivalent of Grignard Formation in Solution.","Journal of the American Chemical Society","2016","138","39","12763","12766","10.1021/jacs.6b08104","","","1.54184","CuKα","","0.1694","0.0715","","","0.1904","0.2208","","","","","","0.813","","","","has coordinates,has disorder","187891","2020-10-21","18:00:00",""
"4125248","14.9886","0.0004","14.8728","0.0004","36.1312","0.0009","90","","98.802","0.003","90","","7959.6","0.4","173","2","173","2","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C40 H49 F7 Mg N2 O -","- C40 H49 F7 Mg N2 O -","- C320 H392 F56 Mg8 N16 O8 -","8","1","","Bakewell, Clare; White, Andrew J. P.; Crimmin, Mark R.","Addition of Carbon-Fluorine Bonds to a Mg(I)-Mg(I) Bond: An Equivalent of Grignard Formation in Solution.","Journal of the American Chemical Society","2016","138","39","12763","12766","10.1021/jacs.6b08104","","","0.71073","MoKα","","0.0799","0.0555","","","0.131","0.1456","","","","","","1.042","","","","has coordinates,has disorder","187891","2020-10-21","18:00:00",""
"4125249","34.4121","0.0008","14.8141","0.0003","14.8714","0.0004","90","","100.005","0.002","90","","7465.9","0.3","173","2","173","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C38 H49 F4 Mg N3 O -","- C38 H49 F4 Mg N3 O -","- C304 H392 F32 Mg8 N24 O8 -","8","1","","Bakewell, Clare; White, Andrew J. P.; Crimmin, Mark R.","Addition of Carbon-Fluorine Bonds to a Mg(I)-Mg(I) Bond: An Equivalent of Grignard Formation in Solution.","Journal of the American Chemical Society","2016","138","39","12763","12766","10.1021/jacs.6b08104","","","0.71073","MoKα","","0.0707","0.0485","","","0.1181","0.1317","","","","","","1.016","","","","has coordinates","187891","2020-10-21","18:00:00",""
"4125250","31.6147","0.0004","16.0108","0.0002","15.04066","0.00019","90","","101.334","0.0012","90","","7464.76","0.17","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C40 H45 F4 Mg N3 -","- C40 H45 F4 Mg N3 -","- C320 H360 F32 Mg8 N24 -","8","1","","Bakewell, Clare; White, Andrew J. P.; Crimmin, Mark R.","Addition of Carbon-Fluorine Bonds to a Mg(I)-Mg(I) Bond: An Equivalent of Grignard Formation in Solution.","Journal of the American Chemical Society","2016","138","39","12763","12766","10.1021/jacs.6b08104","","","1.54184","CuKα","","0.0468","0.0387","","","0.1026","0.1083","","","","","","1.036","","","","has coordinates","187891","2020-10-21","18:00:00",""
"4125251","18.253","0.0006","13.8247","0.0003","21.1714","0.0006","90","","110.993","0.003","90","","4987.8","0.3","173","2","173","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C52 H70 Mg2 N4 -","- C52 H70 Mg2 N4 -","- C208 H280 Mg8 N16 -","4","0.5","","Bakewell, Clare; White, Andrew J. P.; Crimmin, Mark R.","Addition of Carbon-Fluorine Bonds to a Mg(I)-Mg(I) Bond: An Equivalent of Grignard Formation in Solution.","Journal of the American Chemical Society","2016","138","39","12763","12766","10.1021/jacs.6b08104","","","1.54184","CuKα","","0.0548","0.0458","","","0.1293","0.1363","","","","","","1.031","","","","has coordinates","187891","2020-10-21","18:00:00",""
"4125252","11.9516","0.0005","18.2934","0.0007","15.7645","0.0006","90","","99.934","0.004","90","","3395","0.2","173","2","173","2","","","","","","","","6","I 1 2/m 1","-I 2y","12","","","","- C72 H112 F2 Mg2 N4 O2 -","- C71 H112 F2 Mg2 N4 O2 -","- C142 H224 F4 Mg4 N8 O4 -","2","0.25","","Bakewell, Clare; White, Andrew J. P.; Crimmin, Mark R.","Addition of Carbon-Fluorine Bonds to a Mg(I)-Mg(I) Bond: An Equivalent of Grignard Formation in Solution.","Journal of the American Chemical Society","2016","138","39","12763","12766","10.1021/jacs.6b08104","","","0.71073","MoKα","","0.0659","0.0467","","","0.1066","0.1171","","","","","","1.033","","","","has coordinates,has disorder","209173","2020-10-21","18:00:00",""
"4125253","9.5297","0.0005","9.8101","0.0007","9.8488","0.0006","79.725","0.002","84.919","0.002","89.558","0.002","902.38","0.1","100","2","100","","","","","","","","","4","P -1","-P 1","2","","","","- C23 H22 N2 O -","- C23 H22 N2 O -","- C46 H44 N4 O2 -","2","1","","Liu, Zhen; Derosa, Joseph; Engle, Keary M.","Palladium(II)-Catalyzed Regioselective syn-Hydroarylation of Disubstituted Alkynes Using a Removable Directing Group.","Journal of the American Chemical Society","2016","138","39","13076","13081","10.1021/jacs.6b08818","","x-ray","0.71073","MoKα","","0.0627","0.0514","","","0.1317","0.141","","","","","","1.054","","","","has coordinates","187892","2020-10-21","18:00:00",""
"4125254","11.004","0.0002","8.344","0.0001","24.0042","0.0004","90","","97.4468","0.0015","90","","2185.41","0.06","150","","150","","","","","","","","","5","P 1 2/n 1","-P 2yac","13","","","","- C46 H68 F N5 O2 -","- C46 H68 F N5 O2 -","- C92 H136 F2 N10 O4 -","2","0.5","","Pfeifer, Lukas; Engle, Keary M.; Pidgeon, George W.; Sparkes, Hazel A.; Thompson, Amber L.; Brown, John M.; Gouverneur, Véronique","Hydrogen-Bonded Homoleptic Fluoride-Diarylurea Complexes: Structure, Reactivity, and Coordinating Power.","Journal of the American Chemical Society","2016","138","40","13314","","10.1021/jacs.6b07501","","","1.5418","CuKα","","0.0537","0.0468","","0.1326","0.1242","0.1326","","","","","","0.9932","","","","has coordinates,has disorder","187929","2020-10-21","18:00:00",""
"4125255","10.9971","0.0002","17.064","0.0004","24.9997","0.0006","90","","92.7108","0.0009","90","","4686.06","0.18","150","","150","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C46 H56 F13 N5 O2 -","- C46 H56 F12.998 N5 O2 -","- C184 H224 F51.992 N20 O8 -","4","1","","Pfeifer, Lukas; Engle, Keary M.; Pidgeon, George W.; Sparkes, Hazel A.; Thompson, Amber L.; Brown, John M.; Gouverneur, Véronique","Hydrogen-Bonded Homoleptic Fluoride-Diarylurea Complexes: Structure, Reactivity, and Coordinating Power.","Journal of the American Chemical Society","2016","138","40","13314","","10.1021/jacs.6b07501","","","0.71073","MoKα","","0.1342","0.0831","","0.2353","0.1829","0.2353","","","","","","1.0193","","","","has coordinates","187929","2020-10-21","18:00:00",""
"4125256","8.6153","0.0002","14.6367","0.0003","18.1464","0.0005","91.7994","0.0009","103.25","0.001","102.478","0.0008","2166.84","0.09","150","","150","","","","","","","","complexation","5","P -1","-P 1","2","","","","- C42 H56 F N9 O10 -","- C42 H56.002 F N9 O10 -","- C84 H112.004 F2 N18 O20 -","2","1","","Pfeifer, Lukas; Engle, Keary M.; Pidgeon, George W.; Sparkes, Hazel A.; Thompson, Amber L.; Brown, John M.; Gouverneur, Véronique","Hydrogen-Bonded Homoleptic Fluoride-Diarylurea Complexes: Structure, Reactivity, and Coordinating Power.","Journal of the American Chemical Society","2016","138","40","13314","","10.1021/jacs.6b07501","","","0.71073","MoKα","","0.079","0.05","","0.1431","0.1158","0.1431","","","","","","0.952","","","","has coordinates,has disorder","187929","2020-10-21","18:00:00",""
"4125257","13.0796","0.0001","15.7385","0.0002","25.2838","0.0003","90","","102.008","0.001","90","","5090.86","0.1","150","","150","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C54 H84 F N5 O2 -","- C54 H84 F N5 O2 -","- C216 H336 F4 N20 O8 -","4","1","","Pfeifer, Lukas; Engle, Keary M.; Pidgeon, George W.; Sparkes, Hazel A.; Thompson, Amber L.; Brown, John M.; Gouverneur, Véronique","Hydrogen-Bonded Homoleptic Fluoride-Diarylurea Complexes: Structure, Reactivity, and Coordinating Power.","Journal of the American Chemical Society","2016","138","40","13314","","10.1021/jacs.6b07501","","","1.5418","CuKα","","0.0605","0.0567","","0.1536","0.1498","0.1535","","","","","","0.9897","","","","has coordinates","187929","2020-10-21","18:00:00",""
"4125258","24.017","0.0004","14.3831","0.0002","26.8362","0.0004","90","","121.301","0.002","90","","7921","0.3","150","","150","","","","","","","","complexation","5","C 1 2/c 1","-C 2yc","15","","","","- C42 H60 F N5 O2 -","- C42 H60 F N5 O2 -","- C336 H480 F8 N40 O16 -","8","1","","Pfeifer, Lukas; Engle, Keary M.; Pidgeon, George W.; Sparkes, Hazel A.; Thompson, Amber L.; Brown, John M.; Gouverneur, Véronique","Hydrogen-Bonded Homoleptic Fluoride-Diarylurea Complexes: Structure, Reactivity, and Coordinating Power.","Journal of the American Chemical Society","2016","138","40","13314","","10.1021/jacs.6b07501","","","1.5418","CuKα","","0.0503","0.0394","","0.1002","0.0935","0.1002","","","","","","0.9715","","","","has coordinates","187929","2020-10-21","18:00:00",""
"4125259","23.8541","0.0002","15.0254","0.0002","25.4496","0.0003","90","","107.328","0.0004","90","","8707.59","0.17","150","","150","","","","","","","","complexation","5","C 1 2/c 1","-C 2yc","15","","","","- C46 H68 F N5 O2 -","- C46 H68 F N5 O2 -","- C368 H544 F8 N40 O16 -","8","1","","Pfeifer, Lukas; Engle, Keary M.; Pidgeon, George W.; Sparkes, Hazel A.; Thompson, Amber L.; Brown, John M.; Gouverneur, Véronique","Hydrogen-Bonded Homoleptic Fluoride-Diarylurea Complexes: Structure, Reactivity, and Coordinating Power.","Journal of the American Chemical Society","2016","138","40","13314","","10.1021/jacs.6b07501","","","0.71073","MoKα","","0.0964","0.0573","","0.129","0.1154","0.129","","","","","","0.99","","","","has coordinates","187929","2020-10-21","18:00:00",""
"4125260","23.627","0.0008","15.1483","0.0004","26.7686","0.0011","90","","110.213","0.005","90","","8990.7","0.6","150","","150","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C46 H68 F N5 O6 -","- C46 H68 F N5 O6 -","- C368 H544 F8 N40 O48 -","8","1","","Pfeifer, Lukas; Engle, Keary M.; Pidgeon, George W.; Sparkes, Hazel A.; Thompson, Amber L.; Brown, John M.; Gouverneur, Véronique","Hydrogen-Bonded Homoleptic Fluoride-Diarylurea Complexes: Structure, Reactivity, and Coordinating Power.","Journal of the American Chemical Society","2016","138","40","13314","","10.1021/jacs.6b07501","","","1.5418","CuKα","","0.1068","0.0925","","0.2561","0.245","0.2559","","","","","","1.0021","","","","has coordinates,has disorder","187929","2020-10-21","18:00:00",""
"4125261","23.8256","0.0002","14.9792","0.0001","25.1935","0.0002","90","","107.918","0.0009","90","","8555.2","0.12","150","","150","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C42 H56 Cl4 F N5 O2 -","- C42 H56 Cl4 F N5 O2 -","- C336 H448 Cl32 F8 N40 O16 -","8","1","","Pfeifer, Lukas; Engle, Keary M.; Pidgeon, George W.; Sparkes, Hazel A.; Thompson, Amber L.; Brown, John M.; Gouverneur, Véronique","Hydrogen-Bonded Homoleptic Fluoride-Diarylurea Complexes: Structure, Reactivity, and Coordinating Power.","Journal of the American Chemical Society","2016","138","40","13314","","10.1021/jacs.6b07501","","","1.5418","CuKα","","0.034","0.0318","","0.0843","0.0822","0.0843","","","","","","0.9901","","","","has coordinates","187929","2020-10-21","18:00:00",""
"4125262","12.8854","0.0001","16.5136","0.0001","26.1896","0.0002","90","","98.5587","0.0007","90","","5510.68","0.07","150","","150","","","","","","","","","5","P 1 n 1","P -2yac","7","","","","- C58 H92 F N5 O2 -","- C58 H92 F N5 O2 -","- C232 H368 F4 N20 O8 -","4","2","","Pfeifer, Lukas; Engle, Keary M.; Pidgeon, George W.; Sparkes, Hazel A.; Thompson, Amber L.; Brown, John M.; Gouverneur, Véronique","Hydrogen-Bonded Homoleptic Fluoride-Diarylurea Complexes: Structure, Reactivity, and Coordinating Power.","Journal of the American Chemical Society","2016","138","40","13314","","10.1021/jacs.6b07501","","","1.5419","CuKα","","0.0586","0.0558","","0.1691","0.1654","0.1689","","","","","","0.9959","","","","has coordinates,has disorder","187929","2020-10-21","18:00:00",""
"4125263","13.2102","0.0003","14.734","0.0003","21.0702","0.0005","90","","96.2452","0.001","90","","4076.75","0.16","150","","150","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C42 H56 F5 N5 O2 -","- C42 H56 F5 N5 O2 -","- C168 H224 F20 N20 O8 -","4","1","","Pfeifer, Lukas; Engle, Keary M.; Pidgeon, George W.; Sparkes, Hazel A.; Thompson, Amber L.; Brown, John M.; Gouverneur, Véronique","Hydrogen-Bonded Homoleptic Fluoride-Diarylurea Complexes: Structure, Reactivity, and Coordinating Power.","Journal of the American Chemical Society","2016","138","40","13314","","10.1021/jacs.6b07501","","","0.71073","MoKα","","0.1065","0.0561","","0.1181","0.1027","0.1181","","","","","","0.9679","","","","has coordinates","187929","2020-10-21","18:00:00",""
"4125264","36.1165","0.0004","36.1165","0.0004","45.7915","0.0005","90","","90","","120","","51728.1","1","150","","150","","","","","","","","","5","R -3 :H","-R 3","148","","","","- C54 H84 F N5 O2 -","- C54 H84 F N5 O2 -","- C1944 H3024 F36 N180 O72 -","36","2","","Pfeifer, Lukas; Engle, Keary M.; Pidgeon, George W.; Sparkes, Hazel A.; Thompson, Amber L.; Brown, John M.; Gouverneur, Véronique","Hydrogen-Bonded Homoleptic Fluoride-Diarylurea Complexes: Structure, Reactivity, and Coordinating Power.","Journal of the American Chemical Society","2016","138","40","13314","","10.1021/jacs.6b07501","","","1.5418","CuKα","","0.1558","0.0971","","0.128","0.0863","0.0863","","","","","","1.148","","","","has coordinates,has disorder","187929","2020-10-21","18:00:00",""
"4125265","24.2255","0.0006","8.1758","0.0002","16.4519","0.0005","90","","99.107","0.003","90","","3217.43","0.15","150","","150","","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C29 H48 F I2 N3 O2 -","- C29 H48 F I2 N3 O2 -","- C116 H192 F4 I8 N12 O8 -","4","1","","Pfeifer, Lukas; Engle, Keary M.; Pidgeon, George W.; Sparkes, Hazel A.; Thompson, Amber L.; Brown, John M.; Gouverneur, Véronique","Hydrogen-Bonded Homoleptic Fluoride-Diarylurea Complexes: Structure, Reactivity, and Coordinating Power.","Journal of the American Chemical Society","2016","138","40","13314","","10.1021/jacs.6b07501","","","1.5418","CuKα","","0.025","0.0249","","0.0663","0.0662","0.0663","","","","","","1.0075","","","","has coordinates","187929","2020-10-21","18:00:00",""
"4125266","23.8588","0.0006","8.1744","0.0002","16.1922","0.0004","90","","96.692","0.003","90","","3136.47","0.14","150","","150","","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C29 H48 Br2 F N3 O2 -","- C29 H48 Br2 F N3 O2 -","- C116 H192 Br8 F4 N12 O8 -","4","1","","Pfeifer, Lukas; Engle, Keary M.; Pidgeon, George W.; Sparkes, Hazel A.; Thompson, Amber L.; Brown, John M.; Gouverneur, Véronique","Hydrogen-Bonded Homoleptic Fluoride-Diarylurea Complexes: Structure, Reactivity, and Coordinating Power.","Journal of the American Chemical Society","2016","138","40","13314","","10.1021/jacs.6b07501","","","1.5418","CuKα","","0.0359","0.0344","","0.0893","0.0882","0.0893","","","","","","0.9995","","","","has coordinates","187929","2020-10-21","18:00:00",""
"4125267","12.3667","0.00006","17.56165","0.00009","15.47775","0.00008","90","","94.266","0.0005","90","","3352.14","0.03","150","","150","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C33 H58 F N3 O2 -","- C33 H58 F N3 O2 -","- C132 H232 F4 N12 O8 -","4","1","","Pfeifer, Lukas; Engle, Keary M.; Pidgeon, George W.; Sparkes, Hazel A.; Thompson, Amber L.; Brown, John M.; Gouverneur, Véronique","Hydrogen-Bonded Homoleptic Fluoride-Diarylurea Complexes: Structure, Reactivity, and Coordinating Power.","Journal of the American Chemical Society","2016","138","40","13314","","10.1021/jacs.6b07501","","","1.5418","CuKα","","0.129","0.1225","","0.5489","0.5334","0.5489","","","","","","2.9913","","","","has coordinates","187929","2020-10-21","18:00:00",""
"4125268","15.9606","0.0005","17.2439","0.0004","26.6482","0.0008","90","","103.648","0.003","90","","7127.1","0.4","150","","150","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C35 H62 F N3 O2 -","- C35 H62 F N3 O2 -","- C280 H496 F8 N24 O16 -","8","2","","Pfeifer, Lukas; Engle, Keary M.; Pidgeon, George W.; Sparkes, Hazel A.; Thompson, Amber L.; Brown, John M.; Gouverneur, Véronique","Hydrogen-Bonded Homoleptic Fluoride-Diarylurea Complexes: Structure, Reactivity, and Coordinating Power.","Journal of the American Chemical Society","2016","138","40","13314","","10.1021/jacs.6b07501","","","1.5418","CuKα","","0.0933","0.0606","","0.1795","0.1517","0.1791","","","","","","0.9713","","","","has coordinates,has disorder","187929","2020-10-21","18:00:00",""
"4125269","13.7989","0.0002","17.0778","0.0003","15.4612","0.0003","90","","104.548","0.0006","90","","3526.69","0.11","150","","150","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C30 H50 Br2 Cl2 F N3 O2 -","- C30 H50 Br2 Cl2 F N3 O2 -","- C120 H200 Br8 Cl8 F4 N12 O8 -","4","1","","Pfeifer, Lukas; Engle, Keary M.; Pidgeon, George W.; Sparkes, Hazel A.; Thompson, Amber L.; Brown, John M.; Gouverneur, Véronique","Hydrogen-Bonded Homoleptic Fluoride-Diarylurea Complexes: Structure, Reactivity, and Coordinating Power.","Journal of the American Chemical Society","2016","138","40","13314","","10.1021/jacs.6b07501","","","0.71073","MoKα","","0.0716","0.0488","","0.1108","0.1036","0.1108","","","","","","0.9621","","","","has coordinates,has disorder","187929","2020-10-21","18:00:00",""
"4125270","22.8897","0.0002","15.1701","0.0001","24.7223","0.0002","90","","90","","90","","8584.55","0.12","150","","150","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C44 H50 Cl2 F N7 O3 -","- C44 H50 Cl2 F N7 O3 -","- C352 H400 Cl16 F8 N56 O24 -","8","1","","Pfeifer, Lukas; Engle, Keary M.; Pidgeon, George W.; Sparkes, Hazel A.; Thompson, Amber L.; Brown, John M.; Gouverneur, Véronique","Hydrogen-Bonded Homoleptic Fluoride-Diarylurea Complexes: Structure, Reactivity, and Coordinating Power.","Journal of the American Chemical Society","2016","138","40","13314","","10.1021/jacs.6b07501","","","1.5418","CuKα","","0.0598","0.0518","","0.1536","0.1457","0.1528","","","","","","0.9797","","","","has coordinates","187929","2020-10-21","18:00:00",""
"4125271","12.4349","0.0002","22.5589","0.0003","15.525","0.0002","90","","90.6731","0.0012","90","","4354.74","0.11","150","","150","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C47 H56 F N7 O3 -","- C47 H56 F N7 O3 -","- C188 H224 F4 N28 O12 -","4","1","","Pfeifer, Lukas; Engle, Keary M.; Pidgeon, George W.; Sparkes, Hazel A.; Thompson, Amber L.; Brown, John M.; Gouverneur, Véronique","Hydrogen-Bonded Homoleptic Fluoride-Diarylurea Complexes: Structure, Reactivity, and Coordinating Power.","Journal of the American Chemical Society","2016","138","40","13314","","10.1021/jacs.6b07501","","","1.5418","CuKα","","0.0487","0.038","","0.1008","0.0923","0.1008","","","","","","0.9851","","","","has coordinates,has disorder","187929","2020-10-21","18:00:00",""
"4125272","14.2788","0.0001","15.3802","0.0002","22.0076","0.0002","90","","95.0763","0.0009","90","","4814.15","0.08","150","","150","","","","","","","","complexation","5","P 1 21/c 1","-P 2ybc","14","","","","- C56 H70 F N3 O2 -","- C56 H70 F N3 O2 -","- C224 H280 F4 N12 O8 -","4","1","","Pfeifer, Lukas; Engle, Keary M.; Pidgeon, George W.; Sparkes, Hazel A.; Thompson, Amber L.; Brown, John M.; Gouverneur, Véronique","Hydrogen-Bonded Homoleptic Fluoride-Diarylurea Complexes: Structure, Reactivity, and Coordinating Power.","Journal of the American Chemical Society","2016","138","40","13314","","10.1021/jacs.6b07501","","","1.5418","CuKα","","0.0476","0.0392","","0.1037","0.097","0.1037","","","","","","0.9721","","","","has coordinates,has disorder","187929","2020-10-21","18:00:00",""
"4125273","12.6627","0.0004","14.9489","0.0005","15.037","0.0004","114.772","0.003","103.341","0.003","94.373","0.003","2466.09","0.16","150","","150","","","","","","","","","5","P -1","-P 1","2","","","","- C52 H64 F5 N5 O5 -","- C52 H64 F5 N5 O5 -","- C104 H128 F10 N10 O10 -","2","1","","Pfeifer, Lukas; Engle, Keary M.; Pidgeon, George W.; Sparkes, Hazel A.; Thompson, Amber L.; Brown, John M.; Gouverneur, Véronique","Hydrogen-Bonded Homoleptic Fluoride-Diarylurea Complexes: Structure, Reactivity, and Coordinating Power.","Journal of the American Chemical Society","2016","138","40","13314","","10.1021/jacs.6b07501","","","1.5418","CuKα","","0.0416","0.0381","","0.1032","0.1","0.1032","","","","","","0.9937","","","","has coordinates","187929","2020-10-21","18:00:00",""
"4125274","17.3563","0.0004","15.9395","0.0003","17.7772","0.0004","90","","108.149","0.002","90","","4673.4","0.18","150","","150","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C48 H56 Cl4 F N5 O4 -","- C48 H56 Cl4 F N5 O4 -","- C192 H224 Cl16 F4 N20 O16 -","4","1","","Pfeifer, Lukas; Engle, Keary M.; Pidgeon, George W.; Sparkes, Hazel A.; Thompson, Amber L.; Brown, John M.; Gouverneur, Véronique","Hydrogen-Bonded Homoleptic Fluoride-Diarylurea Complexes: Structure, Reactivity, and Coordinating Power.","Journal of the American Chemical Society","2016","138","40","13314","","10.1021/jacs.6b07501","","","1.5418","CuKα","","0.0826","0.078","","0.293","0.2897","0.293","","","","","","1.0047","","","","has coordinates","187929","2020-10-21","18:00:00",""
"4125275","22.2441","0.0016","8.1479","0.0004","20.0331","0.0017","90","","120.67","0.01","90","","3123","0.5","150","","150","","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C32 H52 F N3 O4 -","- C32 H52 F N3 O4 -","- C128 H208 F4 N12 O16 -","4","1","","Pfeifer, Lukas; Engle, Keary M.; Pidgeon, George W.; Sparkes, Hazel A.; Thompson, Amber L.; Brown, John M.; Gouverneur, Véronique","Hydrogen-Bonded Homoleptic Fluoride-Diarylurea Complexes: Structure, Reactivity, and Coordinating Power.","Journal of the American Chemical Society","2016","138","40","13314","","10.1021/jacs.6b07501","","","1.5418","CuKα","","0.0247","0.0246","","0.0677","0.0676","0.0677","","","","","","1.0019","","","","has coordinates","187929","2020-10-21","18:00:00",""
"4125276","13.071","0.004","15.712","0.005","25.244","0.008","90","","101.98","0.02","90","","5071","3","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C54 H84 F N5 O2 -","- C54 H84 F N5 O2 -","- C216 H336 F4 N20 O8 -","4","1","","Pfeifer, Lukas; Engle, Keary M.; Pidgeon, George W.; Sparkes, Hazel A.; Thompson, Amber L.; Brown, John M.; Gouverneur, Véronique","Hydrogen-Bonded Homoleptic Fluoride-Diarylurea Complexes: Structure, Reactivity, and Coordinating Power.","Journal of the American Chemical Society","2016","138","40","13314","","10.1021/jacs.6b07501","","","","neutron","","0.0764","0.0764","","","0.1893","0.1893","","","","","","1.056","","","","has coordinates,has disorder","211412","2020-10-21","18:00:00",""
"4125277","23.787","0.007","14.962","0.005","25.156","0.008","90","","107.93","0.02","90","","8518","5","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C42 H56 Cl4 F N5 O2 -","- C42 H56 Cl4 F N5 O2 -","- C336 H448 Cl32 F8 N40 O16 -","8","1","","Pfeifer, Lukas; Engle, Keary M.; Pidgeon, George W.; Sparkes, Hazel A.; Thompson, Amber L.; Brown, John M.; Gouverneur, Véronique","Hydrogen-Bonded Homoleptic Fluoride-Diarylurea Complexes: Structure, Reactivity, and Coordinating Power.","Journal of the American Chemical Society","2016","138","40","13314","","10.1021/jacs.6b07501","","","","neutron","","0.0929","0.0929","","","0.2381","0.2381","","","","","","1.067","","","","has coordinates","211412","2020-10-21","18:00:00",""
"4125278","13.209","0.004","14.686","0.006","21.024","0.008","90","","96.11","0.03","90","","4055","3","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C42 H56 F5 N5 O2 -","- C42 H56 F5 N5 O2 -","- C168 H224 F20 N20 O8 -","4","1","","Pfeifer, Lukas; Engle, Keary M.; Pidgeon, George W.; Sparkes, Hazel A.; Thompson, Amber L.; Brown, John M.; Gouverneur, Véronique","Hydrogen-Bonded Homoleptic Fluoride-Diarylurea Complexes: Structure, Reactivity, and Coordinating Power.","Journal of the American Chemical Society","2016","138","40","13314","","10.1021/jacs.6b07501","","","","neutron","","0.1031","0.1031","","","0.2639","0.2639","","","","","","1.319","","","","has coordinates","211412","2020-10-21","18:00:00",""
"4125279","12.518","0.008","7.417","0.004","13.997","0.009","90","","115.009","0.01","90","","1177.7","1.2","173","2","173","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C8 H20 Cl N O4 -","- C8 H20 Cl N O4 -","- C32 H80 Cl4 N4 O16 -","4","1","","Ye, Heng-Yun; Ge, Jia-Zhen; Tang, Yuan-Yuan; Li, Peng-Fei; Zhang, Yi; You, Yu-Meng; Xiong, Ren-Gen","Molecular Ferroelectric with Most Equivalent Polarization Directions Induced by the Plastic Phase Transition.","Journal of the American Chemical Society","2016","138","40","13175","","10.1021/jacs.6b08817","","","0.71073","MoKα","","0.0572","0.0507","","","0.1156","0.1198","","","","","","1.058","","","","has coordinates","187930","2020-10-21","18:00:00",""
"4125280","11.9958","0.0012","16.3222","0.0015","10.2282","0.001","90","","108.225","0.003","90","","1902.2","0.3","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C26 H20 N2 O2 -","- C26 H20 N2 O2 -","- C104 H80 N8 O8 -","4","1","","Bloch, Witold M.; Abe, Yoko; Holstein, Julian J.; Wandtke, Claudia M.; Dittrich, Birger; Clever, Guido H.","Geometric Complementarity in Assembly and Guest Recognition of a Bent Heteroleptic cis-[Pd2L(A)2L(B)2] Coordination Cage.","Journal of the American Chemical Society","2016","138","41","13750","","10.1021/jacs.6b08694","","","0.71073","MoKα","","0.0567","0.044","","","0.1251","0.1366","","","","","","1.052","","","","has coordinates","187906","2020-10-21","18:00:00",""
"4125281","23.187","0.007","73.53","0.02","23.314","0.007","90","","117.719","0.009","90","","35187","18","100","2","100","2","","","","","","","","7","C 1 2/m 1","-C 2y","12","","","","- C164 H124 B4 F16 N12 O4 Pd2 -","- C164 H124 B4 F16 N12 O4 Pd2 -","- C656 H496 B16 F64 N48 O16 Pd8 -","4","0.5","","Bloch, Witold M.; Abe, Yoko; Holstein, Julian J.; Wandtke, Claudia M.; Dittrich, Birger; Clever, Guido H.","Geometric Complementarity in Assembly and Guest Recognition of a Bent Heteroleptic cis-[Pd2L(A)2L(B)2] Coordination Cage.","Journal of the American Chemical Society","2016","138","41","13750","","10.1021/jacs.6b08694","","","1.54178","CuKα","","0.1739","0.124","","","0.3429","0.3811","","","","","","1.429","","","","has coordinates","187906","2020-10-21","18:00:00",""
"4125282","9.5907","0.0002","17.2393","0.0004","13.3259","0.0003","90","","109.602","0.0011","90","","2075.58","0.08","150","2","150","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C19 H19 Cl2 F N2 O4 -","- C19 H19 Cl2 F N2 O4 -","- C76 H76 Cl8 F4 N8 O16 -","4","2","","Vara, Brandon A.; Johnston, Jeffrey N.","Enantioselective Synthesis of β-Fluoro Amines via β-Amino α-Fluoro Nitroalkanes and a Traceless Activating Group Strategy","Journal of the American Chemical Society","2016","","","","","10.1021/jacs.6b07731","","","0.71073","MoKα","","0.0358","0.0333","","","0.0864","0.0888","","","","","","1.024","","","","has coordinates","187374","2020-10-21","18:00:00",""
"4125283","43.9606","0.001","24.3886","0.0007","9.838","0.0002","90","","90","","90","","10547.7","0.4","293","2","293","2","","","","","","","","2","P n m a","-P 2ac 2n","62","","","","- C162 H76 -","- C161.5 H76 -","- C646 H304 -","4","0.5","","Lee, Semin; Chénard, Etienne; Gray, Danielle L.; Moore, Jeffrey S.","Synthesis of Cycloparaphenyleneacetylene via Alkyne Metathesis: C70 Complexation and Copper-Free Triple Click Reaction.","Journal of the American Chemical Society","2016","138","42","13814","","10.1021/jacs.6b08752","","","0.71073","MoKα","","0.0964","0.0766","","","0.2054","0.217","","","","","","1.261","","","","has coordinates,has disorder","187932","2020-10-21","18:00:00",""
"4125284","8.7705","0.0003","11.8484","0.0005","16.7993","0.0006","90","","90","","90","","1745.72","0.11","150","2","150","0.1","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C18 H26 O2 Si -","- C18 H26 O2 Si -","- C72 H104 O8 Si4 -","4","1","","Xue, Weichao; Qu, Zheng-Wang; Grimme, Stefan; Oestreich, Martin","Copper-Catalyzed Cross-Coupling of Silicon Pronucleophiles with Unactivated Alkyl Electrophiles Coupled with Radical Cyclization.","Journal of the American Chemical Society","2016","138","43","14222","14225","10.1021/jacs.6b09596","","x-ray","1.54184","CuKα","","0.0387","0.0345","","","0.0816","0.0912","","","","","","1.057","","","","has coordinates","187909","2020-10-21","18:00:00",""
"4125285","8.751","0.0012","8.751","0.0012","5.8981","0.0012","90","","90","","120","","391.16","0.11","293","2","293","2","","","","","","","","4","P 63","P 6c","173","","","","- B Bi3 O9 Te -","- B Bi3 O9 Te -","- B2 Bi6 O18 Te2 -","2","0.333333","","Xia, Mingjun; Jiang, Xingxing; Lin, Zheshuai; Li, Rukang","""All-Three-in-One"": A New Bismuth-Tellurium-Borate Bi3TeBO9 Exhibiting Strong Second Harmonic Generation Response.","Journal of the American Chemical Society","2016","138","43","14190","14193","10.1021/jacs.6b08813","","","0.71073","MoKα","","0.0275","0.025","","","0.0465","0.0469","","","","","","0.985","","","","has coordinates","187913","2020-10-21","18:00:00",""
"4125286","9.87","0.002","33.746","0.004","9.87","0.002","90","","106.454","0.003","90","","3152.8","1","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C18 H17 Br O2 -","- C18 H17 Br O2 -","- C144 H136 Br8 O16 -","8","4","","Nguyen, Khoa D.; Herkommer, Daniel; Krische, Michael J.","Enantioselective Formation of All-Carbon Quaternary Centers via C-H Functionalization of Methanol: Iridium-Catalyzed Diene Hydrohydroxymethylation.","Journal of the American Chemical Society","2016","138","43","14210","14213","10.1021/jacs.6b09333","","","0.71073","MoKα","","0.0864","0.049","","","0.0829","0.0918","","","","","","0.96","","","","has coordinates,has disorder","187910","2020-10-21","18:00:00",""
"4125287","12.74","0.002","15.43","0.003","14.863","0.003","90","","96.496","0.004","90","","2903","0.9","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C32 H26 Co N7 O5 -","- C32 H26 Co N7 O5 -","- C128 H104 Co4 N28 O20 -","4","1","","Planas, Oriol; Whiteoak, Christopher J.; Martin-Diaconescu, Vlad; Gamba, Ilaria; Luis, Josep M.; Parella, Teodor; Company, Anna; Ribas, Xavi","Isolation of Key Organometallic Aryl-Co(III) Intermediates in Cobalt-Catalyzed C(sp(2))-H Functionalizations and New Insights into Alkyne Annulation Reaction Mechanisms.","Journal of the American Chemical Society","2016","138","43","14388","14397","10.1021/jacs.6b08593","","","0.71073","MoKα","","0.0765","0.0466","","","0.0998","0.1123","","","","","","1.035","","","","has coordinates","187912","2020-10-21","18:00:00",""
"4125288","11.6313","0.0009","11.6947","0.0009","12.0054","0.001","115.424","0.001","92.168","0.001","97.853","0.001","1452.5","0.2","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C23 H30 Cl2 Co N7 O9 -","- C23 H30 Cl2 Co N7 O9 -","- C46 H60 Cl4 Co2 N14 O18 -","2","1","","Planas, Oriol; Whiteoak, Christopher J.; Martin-Diaconescu, Vlad; Gamba, Ilaria; Luis, Josep M.; Parella, Teodor; Company, Anna; Ribas, Xavi","Isolation of Key Organometallic Aryl-Co(III) Intermediates in Cobalt-Catalyzed C(sp(2))-H Functionalizations and New Insights into Alkyne Annulation Reaction Mechanisms.","Journal of the American Chemical Society","2016","138","43","14388","14397","10.1021/jacs.6b08593","","","0.71073","MoKα","","0.1175","0.0926","","","0.2364","0.2655","","","","","","1.109","","","","has coordinates,has disorder","187912","2020-10-21","18:00:00",""
"4125289","8.766","0.005","10.31","0.006","11.915","0.007","69.468","0.008","76.746","0.01","71.536","0.01","948","1","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C19 H23 Co N3 O4 -","- C19 H23 Co N3 O4 -","- C38 H46 Co2 N6 O8 -","2","1","","Planas, Oriol; Whiteoak, Christopher J.; Martin-Diaconescu, Vlad; Gamba, Ilaria; Luis, Josep M.; Parella, Teodor; Company, Anna; Ribas, Xavi","Isolation of Key Organometallic Aryl-Co(III) Intermediates in Cobalt-Catalyzed C(sp(2))-H Functionalizations and New Insights into Alkyne Annulation Reaction Mechanisms.","Journal of the American Chemical Society","2016","138","43","14388","14397","10.1021/jacs.6b08593","","","0.71073","MoKα","","0.1057","0.0782","","","0.1997","0.2212","","","","","","1.012","","","","has coordinates","187912","2020-10-21","18:00:00",""
"4125290","11.9362","0.0008","20.3758","0.0013","12.2543","0.0008","90","","114.515","0.001","90","","2711.7","0.3","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C23 H29 Cl2 Co N6 O8 -","- C23 H29 Cl2 Co N6 O8 -","- C92 H116 Cl8 Co4 N24 O32 -","4","1","","Planas, Oriol; Whiteoak, Christopher J.; Martin-Diaconescu, Vlad; Gamba, Ilaria; Luis, Josep M.; Parella, Teodor; Company, Anna; Ribas, Xavi","Isolation of Key Organometallic Aryl-Co(III) Intermediates in Cobalt-Catalyzed C(sp(2))-H Functionalizations and New Insights into Alkyne Annulation Reaction Mechanisms.","Journal of the American Chemical Society","2016","138","43","14388","14397","10.1021/jacs.6b08593","","","0.71073","MoKα","","0.0515","0.0466","","","0.1129","0.116","","","","","","1.091","","","","has coordinates","187912","2020-10-21","18:00:00",""
"4125291","9.6236","0.0009","16.615","0.0016","11.8767","0.0011","90","","91.405","0.002","90","","1898.5","0.3","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C18 H24 Cl2 N3 O Rh -","- C18 H24 Cl2 N3 O Rh -","- C72 H96 Cl8 N12 O4 Rh4 -","4","1","","Planas, Oriol; Whiteoak, Christopher J.; Martin-Diaconescu, Vlad; Gamba, Ilaria; Luis, Josep M.; Parella, Teodor; Company, Anna; Ribas, Xavi","Isolation of Key Organometallic Aryl-Co(III) Intermediates in Cobalt-Catalyzed C(sp(2))-H Functionalizations and New Insights into Alkyne Annulation Reaction Mechanisms.","Journal of the American Chemical Society","2016","138","43","14388","14397","10.1021/jacs.6b08593","","","0.71073","MoKα","","0.0301","0.0267","","","0.0643","0.0661","","","","","","1.084","","","","has coordinates","187912","2020-10-21","18:00:00",""
"4125292","15.4764","0.0005","15.4764","0.0005","40.5896","0.0019","90","","90","","90","","9722","0.6","100","2","99.99","","","","","","","","","5","P 41 2 2","P 4w 2c","91","","","","- C48 H36 Cl2 N4 O10 -","- C48 H36 Cl2 N4 O10 -","- C384 H288 Cl16 N32 O80 -","8","1","","Samanta, Avik; Liu, Zhichang; Nalluri, Siva Krishna Mohan; Zhang, Yu; Schatz, George C.; Stoddart, J. Fraser","Supramolecular Double-Helix Formation by Diastereoisomeric Conformations of Configurationally Enantiomeric Macrocycles.","Journal of the American Chemical Society","2016","138","43","14469","14480","10.1021/jacs.6b09258","","","1.54178","CuKα","","0.1227","0.0768","","","0.2017","0.2251","","","","","","0.954","","","","has coordinates","187911","2020-10-21","18:00:00",""
"4125293","15.4749","0.0005","15.4749","0.0005","40.5132","0.0015","90","","90","","90","","9701.8","0.6","100","2","100","","","","","","","","","5","P 43 2 2","P 4cw 2c","95","","","","- C47 H34 Cl N4 O10 -","- C47 H34 Cl N4 O10 -","- C376 H272 Cl8 N32 O80 -","8","1","","Samanta, Avik; Liu, Zhichang; Nalluri, Siva Krishna Mohan; Zhang, Yu; Schatz, George C.; Stoddart, J. Fraser","Supramolecular Double-Helix Formation by Diastereoisomeric Conformations of Configurationally Enantiomeric Macrocycles.","Journal of the American Chemical Society","2016","138","43","14469","14480","10.1021/jacs.6b09258","","","1.54178","CuKα","","0.1184","0.0918","","","0.2667","0.288","","","","","","1.049","","","","has coordinates","187911","2020-10-21","18:00:00",""
"4125294","32.045","0.004","8.258","0.0009","14.0706","0.0015","90","","97.5","0.003","90","","3691.6","0.7","100","2","100","","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C45 H36 N4 O9 -","- C45 H36 N4 O9 -","- C180 H144 N16 O36 -","4","1","","Samanta, Avik; Liu, Zhichang; Nalluri, Siva Krishna Mohan; Zhang, Yu; Schatz, George C.; Stoddart, J. Fraser","Supramolecular Double-Helix Formation by Diastereoisomeric Conformations of Configurationally Enantiomeric Macrocycles.","Journal of the American Chemical Society","2016","138","43","14469","14480","10.1021/jacs.6b09258","","","1.54178","CuKα","","0.0375","0.0372","","","0.1004","0.1008","","","","","","1.053","","","","has coordinates","187911","2020-10-21","18:00:00",""
"4125295","10.9732","0.001","16.0101","0.0014","15.5863","0.0014","90","","94.993","0.003","90","","2727.8","0.4","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C32 H38 O4 -","- C32 H38 O4 -","- C128 H152 O16 -","4","1","","Boyce, Jonathan H.; Eschenbrenner-Lux, Vincent; Porco, Jr, John A","Syntheses of (+)-30-epi-, (-)-6-epi-, (±)-6,30-epi-13,14-Didehydroxyisogarcinol and (±)-6,30-epi-Garcimultiflorone A Utilizing Highly Diastereoselective, Lewis Acid-Controlled Cyclizations.","Journal of the American Chemical Society","2016","138","44","14789","14797","10.1021/jacs.6b09727","","","1.54178","CuKα","","0.0389","0.0386","","","0.0952","0.0955","","","","","","1.046","","","","has coordinates,has disorder","189944","2020-10-21","18:00:00",""
"4125296","23.1187","0.0004","7.8379","0.0002","15.2175","0.0003","90","","90","","90","","2757.44","0.1","100","2","100","2","","","","","","","","3","P c a 21","P 2c -2ac","29","","","","- C32 H38 O4 -","- C32 H38 O4 -","- C128 H152 O16 -","4","1","","Boyce, Jonathan H.; Eschenbrenner-Lux, Vincent; Porco, Jr, John A","Syntheses of (+)-30-epi-, (-)-6-epi-, (±)-6,30-epi-13,14-Didehydroxyisogarcinol and (±)-6,30-epi-Garcimultiflorone A Utilizing Highly Diastereoselective, Lewis Acid-Controlled Cyclizations.","Journal of the American Chemical Society","2016","138","44","14789","14797","10.1021/jacs.6b09727","","","1.54178","CuKα","","0.0299","0.0294","","","0.0769","0.0772","","","","","","1.044","","","","has coordinates","189944","2020-10-21","18:00:00",""
"4125297","14.1854","0.0002","19.4283","0.0003","19.7516","0.0003","90","","102.419","0.001","90","","5316.13","0.14","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C30 H36 O4 -","- C30 H36 O4 -","- C240 H288 O32 -","8","2","","Boyce, Jonathan H.; Eschenbrenner-Lux, Vincent; Porco, Jr, John A","Syntheses of (+)-30-epi-, (-)-6-epi-, (±)-6,30-epi-13,14-Didehydroxyisogarcinol and (±)-6,30-epi-Garcimultiflorone A Utilizing Highly Diastereoselective, Lewis Acid-Controlled Cyclizations.","Journal of the American Chemical Society","2016","138","44","14789","14797","10.1021/jacs.6b09727","","","1.54178","CuKα","","0.0437","0.0411","","","0.1068","0.1094","","","","","","1.044","","","","has coordinates,has disorder","189944","2020-10-21","18:00:00",""
"4125298","7.635","0.0013","9.2691","0.0016","14.887","0.003","89.64","0.003","79.774","0.003","70.461","0.003","975.5","0.3","193","2","193","2","","","","","","","","5","P -1","-P 1","2","","","","- C10 H11 B Cl N -","- C10 H11 B Cl N -","- C40 H44 B4 Cl4 N4 -","4","2","","Xu, Senmiao; Zhang, Yuanzhe; Li, Bo; Liu, Shih-Yuan","Site-Selective and Stereoselective trans-Hydroboration of 1,3-Enynes Catalyzed by 1,4-Azaborine-Based Phosphine-Pd Complex.","Journal of the American Chemical Society","2016","138","44","14566","14569","10.1021/jacs.6b09759","","","0.71073","MoKα","","0.0548","0.0488","","","0.1344","0.1426","","","","","","0.98","","","","has coordinates","189945","2020-10-21","18:00:00",""
"4125299","11.7894","0.0015","6.7732","0.0009","21.252","0.003","90","","96.611","0.002","90","","1685.7","0.4","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H29 B O2 -","- C17 H29 B O2 -","- C68 H116 B4 O8 -","4","1","","Xu, Senmiao; Zhang, Yuanzhe; Li, Bo; Liu, Shih-Yuan","Site-Selective and Stereoselective trans-Hydroboration of 1,3-Enynes Catalyzed by 1,4-Azaborine-Based Phosphine-Pd Complex.","Journal of the American Chemical Society","2016","138","44","14566","14569","10.1021/jacs.6b09759","","","0.71073","MoKα","","0.0584","0.042","","","0.0965","0.1055","","","","","","1.027","","","","has coordinates","189945","2020-10-21","18:00:00",""
"4125300","7.1599","0.0003","17.614","0.0008","33.0261","0.0015","90","","90.955","0.002","90","","4164.5","0.3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H28 B N O4 -","- C22 H28 B N O4 -","- C176 H224 B8 N8 O32 -","8","2","","Xu, Senmiao; Zhang, Yuanzhe; Li, Bo; Liu, Shih-Yuan","Site-Selective and Stereoselective trans-Hydroboration of 1,3-Enynes Catalyzed by 1,4-Azaborine-Based Phosphine-Pd Complex.","Journal of the American Chemical Society","2016","138","44","14566","14569","10.1021/jacs.6b09759","","","1.54178","CuKα","","0.036","0.0344","","","0.0863","0.0878","","","","","","1.008","","","","has coordinates","189945","2020-10-21","18:00:00",""
"4125301","12.0431","0.0009","15.597","0.0012","23.7704","0.0017","85.72","0.003","89.462","0.003","87.941","0.004","4449.5","0.6","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C54 H51 B N O P Pd -","- C54 H51 B N O P Pd -","- C216 H204 B4 N4 O4 P4 Pd4 -","4","2","","Xu, Senmiao; Zhang, Yuanzhe; Li, Bo; Liu, Shih-Yuan","Site-Selective and Stereoselective trans-Hydroboration of 1,3-Enynes Catalyzed by 1,4-Azaborine-Based Phosphine-Pd Complex.","Journal of the American Chemical Society","2016","138","44","14566","14569","10.1021/jacs.6b09759","","","1.54178","CuKα","","0.0697","0.0617","","","0.1714","0.1838","","","","","","1.06","","","","has coordinates,has disorder","189945","2020-10-21","18:00:00",""
"4125302","8.2753","0.0008","23.637","0.003","15.5395","0.0016","90","","91.454","0.0018","90","","3038.6","0.6","100","2","100","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C16 H21 B O2 -","- C16 H21 B O2 -","- C128 H168 B8 O16 -","8","2","","Xu, Senmiao; Zhang, Yuanzhe; Li, Bo; Liu, Shih-Yuan","Site-Selective and Stereoselective trans-Hydroboration of 1,3-Enynes Catalyzed by 1,4-Azaborine-Based Phosphine-Pd Complex.","Journal of the American Chemical Society","2016","138","44","14566","14569","10.1021/jacs.6b09759","","","0.71073","MoKα","","0.0378","0.0352","","","0.089","0.0907","","","","","","1.033","","","","has coordinates","189945","2020-10-21","18:00:00",""
"4125303","9.0973","0.0006","12.1312","0.0008","12.6499","0.0008","61.9968","0.0012","86.9618","0.0013","82.3284","0.0012","1221.5","0.14","240","2","240","2","","","","","","","","4","P -1","-P 1","2","","Mo-complex","","- C47 H72 Mo2 N6 -","- C42 H60 Mo2 N6 -","- C42 H60 Mo2 N6 -","1","0.5","","Duman, Leila M.; Farrell, Wesley S.; Zavalij, Peter Y.; Sita, Lawrence R.","Steric Switching From Photochemical to Thermal Reaction Pathways for Enhanced Efficiency in Metal-Mediated Nitrogen Fixation.","Journal of the American Chemical Society","2016","","","","","10.1021/jacs.6b09789","","","0.71073","MoKα","","0.0351","0.0287","","","0.0626","0.0671","","","","","","1","","","","has coordinates","187819","2020-10-21","18:00:00",""
"4125304","8.9239","0.0004","14.315","0.0007","16.5395","0.0008","90","","91.9751","0.0007","90","","2111.59","0.17","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","W-complex","","- C42 H60 N6 W2 -","- C42 H60 N6 W2 -","- C84 H120 N12 W4 -","2","0.5","","Duman, Leila M.; Farrell, Wesley S.; Zavalij, Peter Y.; Sita, Lawrence R.","Steric Switching From Photochemical to Thermal Reaction Pathways for Enhanced Efficiency in Metal-Mediated Nitrogen Fixation.","Journal of the American Chemical Society","2016","","","","","10.1021/jacs.6b09789","","","0.71073","MoKα","","0.0334","0.0249","","","0.0512","0.0542","","","","","","1","","","","has coordinates","187819","2020-10-21","18:00:00",""
"4125305","9.3284","0.0008","10.5054","0.0009","10.8214","0.0009","68.9283","0.0011","83.4876","0.0012","80.3686","0.0013","973.98","0.14","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","Mo2-complex","","- C42 H60 Mo2 N6 -","- C42 H60 Mo2 N6 -","- C42 H60 Mo2 N6 -","1","0.5","","Duman, Leila M.; Farrell, Wesley S.; Zavalij, Peter Y.; Sita, Lawrence R.","Steric Switching From Photochemical to Thermal Reaction Pathways for Enhanced Efficiency in Metal-Mediated Nitrogen Fixation.","Journal of the American Chemical Society","2016","","","","","10.1021/jacs.6b09789","","","0.71073","MoKα","","0.0242","0.022","","","0.0491","0.0504","","","","","","1","","","","has coordinates,has disorder","187819","2020-10-21","18:00:00",""
"4125306","9.2992","0.0008","10.5263","0.0009","10.8305","0.0009","68.863","0.0011","83.4357","0.0011","80.1046","0.0012","972.54","0.14","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","W-complex","","- C42 H60 N6 W2 -","- C42 H60 N6 W2 -","- C42 H60 N6 W2 -","1","0.5","","Duman, Leila M.; Farrell, Wesley S.; Zavalij, Peter Y.; Sita, Lawrence R.","Steric Switching From Photochemical to Thermal Reaction Pathways for Enhanced Efficiency in Metal-Mediated Nitrogen Fixation.","Journal of the American Chemical Society","2016","","","","","10.1021/jacs.6b09789","","","0.71073","MoKα","","0.0167","0.016","","","0.0386","0.0389","","","","","","1.032","","","","has coordinates","187819","2020-10-21","18:00:00",""
"4125307","12.8041","0.0007","8.5331","0.0005","19.6219","0.0011","90","","96.601","0.001","90","","2129.7","0.2","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Mo-complex","","- C21 H30 Cl Mo N3 -","- C21 H30 Cl Mo N3 -","- C84 H120 Cl4 Mo4 N12 -","4","1","","Duman, Leila M.; Farrell, Wesley S.; Zavalij, Peter Y.; Sita, Lawrence R.","Steric Switching From Photochemical to Thermal Reaction Pathways for Enhanced Efficiency in Metal-Mediated Nitrogen Fixation.","Journal of the American Chemical Society","2016","","","","","10.1021/jacs.6b09789","","","0.71073","MoKα","","0.036","0.028","","","0.0564","0.0598","","","","","","1","","","","has coordinates","187819","2020-10-21","18:00:00",""
"4125308","18.167","0.0009","9.5868","0.0005","17.1967","0.0009","90","","117.744","0.0007","90","","2650.7","0.2","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Mo-complex","","- C24 H39 Mo N3 Si -","- C24 H39 Mo N3 Si -","- C96 H156 Mo4 N12 Si4 -","4","1","","Duman, Leila M.; Farrell, Wesley S.; Zavalij, Peter Y.; Sita, Lawrence R.","Steric Switching From Photochemical to Thermal Reaction Pathways for Enhanced Efficiency in Metal-Mediated Nitrogen Fixation.","Journal of the American Chemical Society","2016","","","","","10.1021/jacs.6b09789","","","0.71073","MoKα","","0.0306","0.0253","","","0.0621","0.065","","","","","","1.034","","","","has coordinates","187819","2020-10-21","18:00:00",""
"4125309","10.6286","0.0006","8.0267","0.0004","13.8441","0.0007","90","","110.892","0.003","90","","1103.43","0.1","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","Cpting-07281-Pure","maimone77","","- C13 H14 O3 -","- C13 H14 O3 -","- C52 H56 O12 -","4","1","","Ting, Chi P.; Xu, Gong; Zeng, Xianhuang; Maimone, Thomas J.","Annulative Methods Enable a Total Synthesis of the Complex Meroterpene Berkeleyone A.","Journal of the American Chemical Society","2016","138","45","14868","14871","10.1021/jacs.6b10397","","","1.54178","CuKα","","0.0434","0.036","","","0.0913","0.0961","","","","","","1.042","","","","has coordinates","204147","2020-10-21","18:00:00",""
"4125310","19.372","0.0012","7.4505","0.0005","19.2839","0.0011","90","","99.679","0.002","90","","2743.6","0.3","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","XG-I-41","maimone74","","- C28 H48 O4 Si -","- C28 H48 O4 Si -","- C112 H192 O16 Si4 -","4","1","","Ting, Chi P.; Xu, Gong; Zeng, Xianhuang; Maimone, Thomas J.","Annulative Methods Enable a Total Synthesis of the Complex Meroterpene Berkeleyone A.","Journal of the American Chemical Society","2016","138","45","14868","14871","10.1021/jacs.6b10397","","","0.71073","MoKα","","0.0609","0.0459","","","0.1079","0.1161","","","","","","1.061","","","","has coordinates","204147","2020-10-21","18:00:00",""
"4125311","11.4542","0.0009","18.779","0.0015","9.4302","0.0007","90","","90","","90","","2028.4","0.3","100","2","100","2","","","","","","","","3","P b c n","-P 2n 2ab","60","Cpting-07262-Pure1","maimone76","","- C11 H16 O3 -","- C11 H16 O3 -","- C88 H128 O24 -","8","1","","Ting, Chi P.; Xu, Gong; Zeng, Xianhuang; Maimone, Thomas J.","Annulative Methods Enable a Total Synthesis of the Complex Meroterpene Berkeleyone A.","Journal of the American Chemical Society","2016","138","45","14868","14871","10.1021/jacs.6b10397","","","1.54178","CuKα","","0.0343","0.0336","","","0.0903","0.0911","","","","","","1.076","","","","has coordinates","204147","2020-10-21","18:00:00",""
"4125312","9.2723","0.0006","24.6156","0.0016","10.9526","0.0007","90","","110.088","0.003","90","","2347.8","0.3","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","XG-I-186-1","maimone82","","- C26 H38 O6 -","- C26 H38 O6 -","- C104 H152 O24 -","4","1","","Ting, Chi P.; Xu, Gong; Zeng, Xianhuang; Maimone, Thomas J.","Annulative Methods Enable a Total Synthesis of the Complex Meroterpene Berkeleyone A.","Journal of the American Chemical Society","2016","138","45","14868","14871","10.1021/jacs.6b10397","","","1.54178","CuKα","","0.0387","0.037","","","0.0921","0.0937","","","","","","1.048","","","","has coordinates","204147","2020-10-21","18:00:00",""
"4125313","40.575","0.004","8.4965","0.0007","23.441","0.002","90","","103.327","0.0016","90","","7863.6","1.2","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C42.5 H55 Cl N2 O W -","- C42.5 H55 Cl N2 O W -","- C340 H440 Cl8 N16 O8 W8 -","8","1","","Lam, Jonathan K.; Zhu, Congqing; Bukhryakov, Konstantin V.; Müller, Peter; Hoveyda, Amir; Schrock, Richard R.","Synthesis and Evaluation of Molybdenum and Tungsten Monoaryloxide Halide Alkylidene Complexes for Z-Selective Cross-Metathesis of Cyclooctene and Z-1,2-Dichloroethylene.","Journal of the American Chemical Society","2016","138","48","15774","15783","10.1021/jacs.6b10499","","","0.71073","MoKα","","0.0281","0.0249","","","0.0519","0.0529","","","","","","1.138","","","","has coordinates,has disorder","189941","2020-10-21","18:00:00",""
"4125314","12.9558","0.0011","27.591","0.002","20.4711","0.0016","90","","94.7881","0.0016","90","","7292.1","1","100","2","100","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C60 H72 Cl F5 Mo N O P -","- C60 H72 Cl F5 Mo N O P -","- C240 H288 Cl4 F20 Mo4 N4 O4 P4 -","4","1","","Lam, Jonathan K.; Zhu, Congqing; Bukhryakov, Konstantin V.; Müller, Peter; Hoveyda, Amir; Schrock, Richard R.","Synthesis and Evaluation of Molybdenum and Tungsten Monoaryloxide Halide Alkylidene Complexes for Z-Selective Cross-Metathesis of Cyclooctene and Z-1,2-Dichloroethylene.","Journal of the American Chemical Society","2016","138","48","15774","15783","10.1021/jacs.6b10499","","","0.71073","MoKα","","0.0437","0.0317","","","0.0754","0.0809","","","","","","1.014","","","","has coordinates,has disorder","189941","2020-10-21","18:00:00",""
"4125315","20.729","0.005","11.107","0.002","21.689","0.005","90","","110.024","0.004","90","","4691.7","1.8","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C51 H63 Cl Mo N2 O -","- C51 H63 Cl Mo N2 O -","- C204 H252 Cl4 Mo4 N8 O4 -","4","1","","Lam, Jonathan K.; Zhu, Congqing; Bukhryakov, Konstantin V.; Müller, Peter; Hoveyda, Amir; Schrock, Richard R.","Synthesis and Evaluation of Molybdenum and Tungsten Monoaryloxide Halide Alkylidene Complexes for Z-Selective Cross-Metathesis of Cyclooctene and Z-1,2-Dichloroethylene.","Journal of the American Chemical Society","2016","138","48","15774","15783","10.1021/jacs.6b10499","","","0.71073","MoKα","","0.0317","0.0261","","","0.0651","0.0688","","","","","","1.028","","","","has coordinates,has disorder","189941","2020-10-21","18:00:00",""
"4125316","5.827","0.003","18.141","0.006","14.817","0.006","90","","98.777","0.009","90","","1547.9","1.1","100","2","100","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C19 H21 N O -","- C19 H21 N O -","- C76 H84 N4 O4 -","4","1","","Wang, Xueqiang; Nakajima, Masaki; Serrano, Eloisa; Martin, Ruben","Alkyl Bromides as Mild Hydride Sources in Ni-Catalyzed Hydroamidation of Alkynes with Isocyanates.","Journal of the American Chemical Society","2016","138","48","15531","15534","10.1021/jacs.6b10351","","","0.7107","MoKα","","0.0596","0.0565","","","0.1429","0.1442","","","","","","1.027","","","","has coordinates","189942","2020-10-21","18:00:00",""
"4125317","8.1179","0.0001","11.3464","0.0002","32.427","0.0004","90","","90","","90","","2986.82","0.07","100","","100","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C15 H15 F3 N2 O3 -","- C15 H15 F3 N2 O3 -","- C120 H120 F24 N16 O24 -","8","2","","Hu, Lin; Wu, Yongwei; Li, Zhe; Deng, Li","Catalytic Asymmetric Synthesis of Chiral γ-Amino Ketones via Umpolung Reactions of Imines","Journal of the American Chemical Society","2016","","","","","10.1021/jacs.6b09754","","","1.5418","CuKα","","0.0266","0.0266","","0.0663","0.0663","0.0663","","","","","","1.0103","","","","has coordinates","255262","2020-10-21","18:00:00",""
"4125318","5.2842","0.0002","10.4412","0.0003","28.9439","0.0009","90","","90","","90","","1596.93","0.09","100","","100","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C17 H23 N O3 -","- C17 H23 N O3 -","- C68 H92 N4 O12 -","4","1","","Hu, Lin; Wu, Yongwei; Li, Zhe; Deng, Li","Catalytic Asymmetric Synthesis of Chiral γ-Amino Ketones via Umpolung Reactions of Imines","Journal of the American Chemical Society","2016","","","","","10.1021/jacs.6b09754","","","1.5418","CuKα","","0.0471","0.0373","","0.0817","0.0767","0.0817","","","","","","0.9795","","","","has coordinates,has disorder","188782","2020-10-21","18:00:00",""
"4125319","5.344","0.0001","10.8072","0.0003","26.8774","0.0007","90","","90","","90","","1552.27","0.07","100","","100","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H23 N O3 -","- C16 H23 N O3 -","- C64 H92 N4 O12 -","4","1","","Hu, Lin; Wu, Yongwei; Li, Zhe; Deng, Li","Catalytic Asymmetric Synthesis of Chiral γ-Amino Ketones via Umpolung Reactions of Imines","Journal of the American Chemical Society","2016","","","","","10.1021/jacs.6b09754","","","1.54178","CuKα","","0.0265","0.0251","","0.0613","0.0609","0.0613","","","","","","1.0142","","","","has coordinates","188783","2020-10-21","18:00:00",""
"4125320","4.9106","0.0002","12.146","0.0004","20.1647","0.0006","90","","90","","90","","1202.71","0.07","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","compound 9g","compound 9g","","- C16 H10 F N O -","- C16 H10 F N O -","- C64 H40 F4 N4 O4 -","4","1","","Jiao, Zhiwei; Beiger, Jason J.; Jin, Yushu; Ge, Shaozhong; Zhou, Jianrong Steve; Hartwig, John F.","Palladium-Catalyzed Enantioselective α-Arylation of α-Fluoroketones.","Journal of the American Chemical Society","2016","138","49","15980","15986","10.1021/jacs.6b09580","","","1.54178","CuKα","","0.0283","0.0272","","","0.0714","0.0724","","","","","","1.047","","","","has coordinates","204147","2020-10-21","18:00:00",""
"4125321","13.5754","0.0009","20.2128","0.0013","22.6448","0.0014","90","","98.582","0.003","90","","6144.1","0.7","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","(Ph3CO)4(DME)U","Tetrakis(triphenylmethoxy) uranium(IV) DME adduct","","- C80 H70 O6 U -","- C80 H70 O6 U -","- C320 H280 O24 U4 -","4","1","","Boreen, Michael A.; Parker, Bernard F.; Lohrey, Trevor D.; Arnold, John","A Homoleptic Uranium(III) Tris(aryl) Complex.","Journal of the American Chemical Society","2016","138","49","15865","15868","10.1021/jacs.6b11182","","","0.7749","synchrotron","","0.0235","0.0195","","","0.0461","0.0476","","","","","","1.054","","","","has coordinates,has disorder","288178","2023-12-08","09:50:54",""
"4125322","52.7","0.002","14.4721","0.0006","19.1774","0.0007","90","","93.313","0.002","90","","14601.8","1","100","2","100","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","(Terph)3U","Tris[2,6-bis(4-tert-butylphenyl)phenyl] uranium(III)","","- C87 H108 U -","- C87 H108 U -","- C696 H864 U8 -","8","1","","Boreen, Michael A.; Parker, Bernard F.; Lohrey, Trevor D.; Arnold, John","A Homoleptic Uranium(III) Tris(aryl) Complex.","Journal of the American Chemical Society","2016","138","49","15865","15868","10.1021/jacs.6b11182","","","0.71073","MoKα","","0.0375","0.0297","","","0.0657","0.069","","","","","","1.067","","","","has coordinates,has disorder","189946","2020-10-21","18:00:00",""
"4125323","10.2415","0.0003","11.9566","0.0005","23.1774","0.0008","90","","93.17","0.003","90","","2833.81","0.17","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H20 S6 Si4 -","- C24 H20 S6 Si4 -","- C96 H80 S24 Si16 -","4","1","","Rosemann, Nils W.; Eußner, Jens P.; Dornsiepen, Eike; Chatterjee, Sangam; Dehnen, Stefanie","Organotetrel Chalcogenide Clusters: Between Strong Second-Harmonic and White-Light Continuum Generation","Journal of the American Chemical Society","2016","","","","","10.1021/jacs.6b10738","","","0.71073","MoKα","","0.0407","0.0277","","","0.0662","0.0688","","","","","","0.925","","","","has coordinates","188982","2020-10-21","18:00:00",""
"4125325","8.3035","0.0002","21.4423","0.0006","26.1632","0.0007","90","","90","","90","","4658.3","0.2","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","KH_LIT_1_TBS","maimone91","","- C16 H24 O5 -","- C16 H24 O5 -","- C192 H288 O60 -","12","3","","Hung, Kevin; Condakes, Matthew L.; Morikawa, Takahiro; Maimone, Thomas J.","Oxidative Entry into the Illicium Sesquiterpenes: Enantiospecific Synthesis of (+)-Pseudoanisatin.","Journal of the American Chemical Society","2016","138","51","16616","16619","10.1021/jacs.6b11739","","","1.54178","CuKα","","0.045","0.0407","","","0.0873","0.0892","","","","","","1.06","","","","has coordinates","204147","2020-10-21","18:00:00",""
"4125326","6.1706","0.0005","13.4053","0.001","18.2977","0.0013","90","","90","","90","","1513.6","0.2","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","MLC-IV-252","maimone78","","- C16 H26 O5 -","- C16 H26 O5 -","- C64 H104 O20 -","4","1","","Hung, Kevin; Condakes, Matthew L.; Morikawa, Takahiro; Maimone, Thomas J.","Oxidative Entry into the Illicium Sesquiterpenes: Enantiospecific Synthesis of (+)-Pseudoanisatin.","Journal of the American Chemical Society","2016","138","51","16616","16619","10.1021/jacs.6b11739","","","1.54178","CuKα","","0.0256","0.0255","","","0.0671","0.0672","","","","","","1.063","","","","has coordinates","204147","2020-10-21","18:00:00",""
"4125327","48.842","0.008","48.842","0.008","48.842","0.008","90","","90","","90","","116515","3","296","2","296","2","","","","","","","","4","P m -3 n","-P 4n 2 3","223","","","","- C366 H192 O66 Zr13 -","- C366 H192 O66 Zr13 -","- C1464 H768 O264 Zr52 -","4","0.0833333","","Zhang, Xin; Zhang, Xu; Johnson, Jacob A.; Chen, Yu-Sheng; Zhang, Jian","Highly Porous Zirconium Metal-Organic Frameworks with β-UH3-like Topology Based on Elongated Tetrahedral Linkers","Journal of the American Chemical Society","2016","138","27","8380","8383","10.1021/jacs.6b04608","","","0.41328","Synchrotron","","0.1453","0.1056","","","0.3037","0.3258","","","","","","1.168","","","","has coordinates","275237","2022-05-09","00:23:28",""
"4125328","49.365","0.003","49.365","0.003","49.365","0.003","90","","90","","90","","120298","13","296","2","296","2","","","","","","","","6","P m -3 n","-P 4n 2 3","223","","","","- C360 H96 B6 F84 O57 Zr13 -","- C360 H96 B6 F84 O57 Zr13 -","- C1440 H384 B24 F336 O228 Zr52 -","4","0.0833333","","Zhang, Xin; Zhang, Xu; Johnson, Jacob A.; Chen, Yu-Sheng; Zhang, Jian","Highly Porous Zirconium Metal-Organic Frameworks with β-UH3-like Topology Based on Elongated Tetrahedral Linkers","Journal of the American Chemical Society","2016","138","27","8380","8383","10.1021/jacs.6b04608","","","0.41328","Synchrotron","","0.1812","0.1365","","","0.3015","0.3245","","","","","","1.555","","","","has coordinates","275237","2022-05-09","00:23:29",""
"4125329","30.7484","0.0006","14.2752","0.0003","27.7281","0.0008","90","","110.609","0.003","90","","11392.1","0.5","85","1","85","1","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C184 H94 Cl Co2 N P2 -","- C184 H94 Cl Co2 N P2 -","- C736 H376 Cl4 Co8 N4 P8 -","4","0.5","","Konarev, Dmitri V.; Khasanov, Salavat S.; Shestakov, Alexander F.; Ishikawa, Manabu; Otsuka, Akihiro; Yamochi, Hideki; Saito, Gunzi; Lyubovskaya, Rimma N.","Spin Crossover in Anionic Cobalt-Bridged Fullerene (Bu4N(+)){Co(Ph3P)}2(μ2-Cl(-))(μ2-η(2),η(2)-C60)2 Dimers.","Journal of the American Chemical Society","2016","138","51","16592","16595","10.1021/jacs.6b09890","","x-ray","0.71073","MoKα","","0.0668","0.0532","","","0.1323","0.1401","","","","","","1.045","","","","has coordinates,has disorder","189940","2020-10-21","18:00:00",""
"4125330","30.8484","0.0014","14.3774","0.0007","27.9871","0.0013","90","","111.063","0.001","90","","11583.5","0.9","300","1","300","1","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C184 H94 Cl Co2 N P2 -","- C184.012 H94.028 Cl Co2 N P2 -","- C736.048 H376.112 Cl4 Co8 N4 P8 -","4","0.5","","Konarev, Dmitri V.; Khasanov, Salavat S.; Shestakov, Alexander F.; Ishikawa, Manabu; Otsuka, Akihiro; Yamochi, Hideki; Saito, Gunzi; Lyubovskaya, Rimma N.","Spin Crossover in Anionic Cobalt-Bridged Fullerene (Bu4N(+)){Co(Ph3P)}2(μ2-Cl(-))(μ2-η(2),η(2)-C60)2 Dimers.","Journal of the American Chemical Society","2016","138","51","16592","16595","10.1021/jacs.6b09890","","x-ray","0.71073","MoKα","","0.0992","0.0521","","","0.1211","0.1446","","","","","","1.033","","","","has coordinates,has disorder","189940","2020-10-21","18:00:00",""
"4125398","7.5808","0.0007","8.0566","0.0007","9.5091","0.0009","65.799","0.003","69.047","0.004","67.515","0.003","475.36","0.08","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C8 F4 N3 S2 -","- C8 F4 N3 S2 -","- C16 F8 N6 S4 -","2","1","","Beldjoudi, Yassine; Arauzo, Ana; Palacio, Fernando; Pilkington, Melanie; Rawson, Jeremy M.","Studies on a ""Disappearing Polymorph"": Thermal and Magnetic Characterization of α-p-NCC6F4CNSSN(•).","Journal of the American Chemical Society","2016","138","51","16779","16786","10.1021/jacs.6b10707","","","0.71073","MoKα","","0.0671","0.0628","","","0.1833","0.1865","","","","","","1.207","","","","has coordinates","189857","2020-10-21","18:00:00",""
"4125399","7.7121","0.0012","8.0974","0.0013","9.705","0.0016","65.868","0.009","67.908","0.009","67.474","0.009","493.28","0.14","323","2","323","2","","","","","","","","4","P -1","-P 1","2","","","","- C8 F4 N3 S2 -","- C8 F4 N3 S2 -","- C16 F8 N6 S4 -","2","1","","Beldjoudi, Yassine; Arauzo, Ana; Palacio, Fernando; Pilkington, Melanie; Rawson, Jeremy M.","Studies on a ""Disappearing Polymorph"": Thermal and Magnetic Characterization of α-p-NCC6F4CNSSN(•).","Journal of the American Chemical Society","2016","138","51","16779","16786","10.1021/jacs.6b10707","","","0.71073","MoKα","","0.0656","0.061","","","0.1399","0.1421","","","","","","1.294","","","","has coordinates","189857","2020-10-21","18:00:00",""
"4125400","7.755","0.008","8.128","0.012","9.746","0.015","65.67","0.11","67.56","0.09","67.47","0.08","498.4","1.3","343","2","343","2","","","","","","","","4","P -1","-P 1","2","","","","- C8 F4 N3 S2 -","- C8 F4 N3 S2 -","- C16 F8 N6 S4 -","2","1","","Beldjoudi, Yassine; Arauzo, Ana; Palacio, Fernando; Pilkington, Melanie; Rawson, Jeremy M.","Studies on a ""Disappearing Polymorph"": Thermal and Magnetic Characterization of α-p-NCC6F4CNSSN(•).","Journal of the American Chemical Society","2016","138","51","16779","16786","10.1021/jacs.6b10707","","","0.71073","MoKα","","0.0814","0.0752","","","0.2008","0.2054","","","","","","1.185","","","","has coordinates","189857","2020-10-21","18:00:00",""
"4125401","8.0412","0.0003","11.639","0.0005","11.9019","0.0005","102.909","0.003","99.46","0.003","101.377","0.003","1038.8","0.08","173","2","173","2","","","","","","","","3","P -1","-P 1","2","","","","- C50 H56 Si2 -","- C50 H56 Si2 -","- C50 H56 Si2 -","1","0.5","","Frederickson, Conerd K.; Zakharov, Lev N.; Haley, Michael M.","Modulating Paratropicity Strength in Diareno-Fused Antiaromatics.","Journal of the American Chemical Society","2016","138","51","16827","16838","10.1021/jacs.6b11397","","","1.54178","CuKα","","0.0559","0.0477","","","0.1292","0.137","","","","","","1.042","","","","has coordinates","189858","2020-10-21","18:00:00",""
"4125402","8.0881","0.0005","25.6677","0.0015","10.3505","0.0006","90","","104.61","0.004","90","","2079.3","0.2","173","2","173","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C50 H56 Si2 -","- C50 H56 Si2 -","- C100 H112 Si4 -","2","0.5","","Frederickson, Conerd K.; Zakharov, Lev N.; Haley, Michael M.","Modulating Paratropicity Strength in Diareno-Fused Antiaromatics.","Journal of the American Chemical Society","2016","138","51","16827","16838","10.1021/jacs.6b11397","","","1.54178","CuKα","","0.1168","0.0627","","","0.1389","0.1628","","","","","","1.053","","","","has coordinates","189859","2020-10-21","18:00:00",""
"4125403","11.2015","0.001","12.9974","0.0012","18.0731","0.0016","90","","104.897","0.001","90","","2542.8","0.4","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","[MeO2NN]Cu-tol","","- C28 H33 Cu N2 O4 -","- C28 H33 Cu N2 O4 -","- C112 H132 Cu4 N8 O16 -","4","1","","Salvador, Tolani K.; Arnett, Charles H.; Kundu, Subrata; Sapiezynski, Nicholas G.; Bertke, Jeffery A.; Raghibi Boroujeni, Mahdi; Warren, Timothy H.","Copper Catalyzed sp(3) C-H Etherification with Acyl Protected Phenols.","Journal of the American Chemical Society","2016","138","51","16580","16583","10.1021/jacs.6b09057","","","0.71073","MoKα","","0.0689","0.0634","","","0.1962","0.1992","","","","","","1.05","","","","has coordinates,has disorder","189860","2020-10-21","18:00:00",""
"4125404","13.8733","0.0005","19.3641","0.0007","26.6621","0.0009","90","","90.73","0.002","90","","7162","0.4","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","[MeO2NN]CuOtBu","","- C33 H52 Cu N2 O7 -","- C33 H52 Cu N2 O7 -","- C264 H416 Cu8 N16 O56 -","8","2","","Salvador, Tolani K.; Arnett, Charles H.; Kundu, Subrata; Sapiezynski, Nicholas G.; Bertke, Jeffery A.; Raghibi Boroujeni, Mahdi; Warren, Timothy H.","Copper Catalyzed sp(3) C-H Etherification with Acyl Protected Phenols.","Journal of the American Chemical Society","2016","138","51","16580","16583","10.1021/jacs.6b09057","","","0.71073","MoKα","","0.1322","0.061","","","0.1307","0.1596","","","","","","1.04","","","","has coordinates,has disorder","189861","2020-10-21","18:00:00",""
"4125405","11.4951","0.0008","6.5903","0.0005","12.7868","0.0009","90","","105.513","0.003","90","","933.39","0.12","296.15","","296.15","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C20 H34 O5 -","- C20 H34 O5 -","- C40 H68 O10 -","2","1","","Rudolf, Jeffrey D.; Dong, Liao-Bin; Manoogian, Karina; Shen, Ben","Biosynthetic Origin of the Ether Ring in Platensimycin.","Journal of the American Chemical Society","2016","138","51","16711","16721","10.1021/jacs.6b09818","","","0.71073","MoKα","","0.0548","0.0473","","","0.1201","0.1266","","","","","","1.062","","","","has coordinates","189862","2020-10-21","18:00:00",""
"4129178","8.2876","0.0005","9.3557","0.0006","15.1595","0.001","87.08","0.005","81.883","0.005","73.572","0.005","1116.06","0.13","100","2","100","2","","","","","","","","5","P 1","P 1","1","","","","- C48 H54 N2 O12 S2 -","- C48 H54 N2 O12 S2 -","- C48 H54 N2 O12 S2 -","1","1","","Jin-Zheng Wang; Jin Zhou; Chang Xu; Hongbin Sun; Laszlo Kurti; Qing-Long Xu","Symmetry in Cascade Chirality-Transfer Processes: A Catalytic Atroposelective Direct Arylation Approach to BINOL Derivatives","Journal of the American Chemical Society","2016","138","","5202","5205","10.1021/jacs.6b01458","","","1.54184","CuKα","","0.0359","0.033","","","0.0851","0.0872","","","","","","1.032","","","","has coordinates","231086","2020-10-21","18:00:00",""
"4129529","11.2684","0.0018","14.392","0.002","17.841","0.003","87.899","0.004","88.397","0.005","69.307","0.004","2704.5","0.7","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C32 H83 K N3 O6.5 Se2 Si6 Th -","- C32 H78 K N3 O6.5 Se2 Si6 Th -","- C64 H156 K2 N6 O13 Se4 Si12 Th2 -","2","1","","Smiles, Danil E.; Wu, Guang; Hrobárik, Peter; Hayton, Trevor W.","Use of (77)Se and (125)Te NMR Spectroscopy to Probe Covalency of the Actinide-Chalcogen Bonding in [Th(En){N(SiMe3)2}3](-) (E = Se, Te; n = 1, 2) and Their Oxo-Uranium(VI) Congeners.","Journal of the American Chemical Society","2016","138","3","814","825","10.1021/jacs.5b07767","","","0.71073","MoKα","","0.0654","0.0433","","","0.0927","0.1003","","","","","","1.01","","","","has coordinates","240236","2020-10-21","18:00:00",""
"4129530","12.8643","0.0013","18.9142","0.0019","21.813","0.002","91.704","0.003","106.371","0.003","92.124","0.003","5084.3","0.9","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C30 H78 K N3 O6 Se Si6 Th -","- C30 H78 K N3 O6 Se Si6 Th -","- C120 H312 K4 N12 O24 Se4 Si24 Th4 -","4","2","","Smiles, Danil E.; Wu, Guang; Hrobárik, Peter; Hayton, Trevor W.","Use of (77)Se and (125)Te NMR Spectroscopy to Probe Covalency of the Actinide-Chalcogen Bonding in [Th(En){N(SiMe3)2}3](-) (E = Se, Te; n = 1, 2) and Their Oxo-Uranium(VI) Congeners.","Journal of the American Chemical Society","2016","138","3","814","825","10.1021/jacs.5b07767","","","0.71073","MoKα","","0.0884","0.0484","","","0.0948","0.1093","","","","","","1.001","","","","has coordinates","240236","2020-10-21","18:00:00",""
"4129531","11.1836","0.0015","14.689","0.002","17.923","0.002","88.665","0.003","89.012","0.003","69.407","0.003","2755.3","0.6","104","2","104","2","","","","","","","","8","P -1","-P 1","2","","","","- C32 H83 K N3 O6.5 Si6 Te2 Th -","- C32 H78 K N3 O6.5 Si6 Te2 Th -","- C64 H156 K2 N6 O13 Si12 Te4 Th2 -","2","1","","Smiles, Danil E.; Wu, Guang; Hrobárik, Peter; Hayton, Trevor W.","Use of (77)Se and (125)Te NMR Spectroscopy to Probe Covalency of the Actinide-Chalcogen Bonding in [Th(En){N(SiMe3)2}3](-) (E = Se, Te; n = 1, 2) and Their Oxo-Uranium(VI) Congeners.","Journal of the American Chemical Society","2016","138","3","814","825","10.1021/jacs.5b07767","","","0.71073","MoKα","","0.0387","0.0303","","","0.0681","0.0715","","","","","","1.018","","","","has coordinates","240236","2020-10-21","18:00:00",""
"4129532","11.5257","0.0008","22.5872","0.0016","43.507","0.003","102.717","0.003","93.748","0.003","101.784","0.003","10743.2","1.3","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C32 H83 K N3 O6.5 Si6 Te Th -","- C32 H78 K N3 O6.5 Si6 Te Th -","- C256 H624 K8 N24 O52 Si48 Te8 Th8 -","8","4","","Smiles, Danil E.; Wu, Guang; Hrobárik, Peter; Hayton, Trevor W.","Use of (77)Se and (125)Te NMR Spectroscopy to Probe Covalency of the Actinide-Chalcogen Bonding in [Th(En){N(SiMe3)2}3](-) (E = Se, Te; n = 1, 2) and Their Oxo-Uranium(VI) Congeners.","Journal of the American Chemical Society","2016","138","3","814","825","10.1021/jacs.5b07767","","","0.71073","MoKα","","0.1378","0.1231","","","0.2642","0.2716","","","","","","1.072","","","","has coordinates","240236","2020-10-21","18:00:00",""
"4129701","8.6338","0.0006","40.258","0.004","9.8293","0.0006","90","","90","","90","","3416.5","0.5","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C32 H53 N O3 Si2 -","- C32 H53 N O3 Si2 -","- C128 H212 N4 O12 Si8 -","4","1","","Liu, Zengjin; Lin, Xinglong; Yang, Na; Su, Zhishan; Hu, Changwei; Xiao, Peihong; He, Yanyang; Song, Zhenlei","Unique Steric Effect of Geminal Bis(silane) To Control the High Exo-selectivity in Intermolecular Diels-Alder Reaction.","Journal of the American Chemical Society","2016","138","6","1877","1883","10.1021/jacs.5b09689","","","0.7107","MoKα","","0.1475","0.0744","","","0.1691","0.2154","","","","","","0.917","","","","has coordinates","240371","2020-10-21","18:00:00",""
"4129702","16.5236","0.0009","14.1625","0.0006","17.3391","0.0011","90","","113.66","0.007","90","","3716.5","0.4","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C35 H52 N2 O7 Si2 -","- C35 H52 N2 O7 Si2 -","- C140 H208 N8 O28 Si8 -","4","1","","Liu, Zengjin; Lin, Xinglong; Yang, Na; Su, Zhishan; Hu, Changwei; Xiao, Peihong; He, Yanyang; Song, Zhenlei","Unique Steric Effect of Geminal Bis(silane) To Control the High Exo-selectivity in Intermolecular Diels-Alder Reaction.","Journal of the American Chemical Society","2016","138","6","1877","1883","10.1021/jacs.5b09689","","","0.71073","MoKα","","0.1158","0.0677","","","0.1512","0.185","","","","","","1.038","","","","has coordinates,has disorder","240372","2020-10-21","18:00:00",""
"4129744","9.024","0.0007","13.945","0.0012","21.3226","0.0018","90","","90","","90","","2683.2","0.4","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C29 H42 Co N3 -","- C29 H42 Co N3 -","- C116 H168 Co4 N12 -","4","1","","Friedfeld, Max R.; Shevlin, Michael; Margulieux, Grant W.; Campeau, Louis-Charles; Chirik, Paul J.","Cobalt-Catalyzed Enantioselective Hydrogenation of Minimally Functionalized Alkenes: Isotopic Labeling Provides Insight into the Origin of Stereoselectivity and Alkene Insertion Preferences.","Journal of the American Chemical Society","2016","138","10","3314","3324","10.1021/jacs.5b10148","","","0.71073","MoKα","","0.0263","0.0244","","","0.0663","0.0671","","","","","","1.071","","","","has coordinates","240410","2020-10-21","18:00:00",""
"4129745","7.6454","0.0004","5.5106","0.0003","14.2743","0.0007","90","","91.93","0.002","90","","601.05","0.05","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C16 H16 O -","- C16 H16 O -","- C32 H32 O2 -","2","1","","Friedfeld, Max R.; Shevlin, Michael; Margulieux, Grant W.; Campeau, Louis-Charles; Chirik, Paul J.","Cobalt-Catalyzed Enantioselective Hydrogenation of Minimally Functionalized Alkenes: Isotopic Labeling Provides Insight into the Origin of Stereoselectivity and Alkene Insertion Preferences.","Journal of the American Chemical Society","2016","138","10","3314","3324","10.1021/jacs.5b10148","","","1.54178","CuKα","","0.0297","0.0294","","","0.0804","0.0806","","","","","","1.108","","","","has coordinates","240410","2020-10-21","18:00:00",""
"4129746","6.0914","0.0002","7.6445","0.0002","28.3648","0.0009","90","","90","","90","","1320.83","0.07","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C17 H19 N -","- C17 H19 N -","- C68 H76 N4 -","4","1","","Friedfeld, Max R.; Shevlin, Michael; Margulieux, Grant W.; Campeau, Louis-Charles; Chirik, Paul J.","Cobalt-Catalyzed Enantioselective Hydrogenation of Minimally Functionalized Alkenes: Isotopic Labeling Provides Insight into the Origin of Stereoselectivity and Alkene Insertion Preferences.","Journal of the American Chemical Society","2016","138","10","3314","3324","10.1021/jacs.5b10148","","","1.54178","CuKα","","0.0274","0.0269","","","0.0671","0.0675","","","","","","1.057","","","","has coordinates","240410","2020-10-21","18:00:00",""
"4129747","11.6801","0.0004","16.8701","0.0006","18.0924","0.0006","90","","90","","90","","3565","0.2","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C15 H13 Cl -","- C15 H13 Cl -","- C180 H156 Cl12 -","12","3","","Friedfeld, Max R.; Shevlin, Michael; Margulieux, Grant W.; Campeau, Louis-Charles; Chirik, Paul J.","Cobalt-Catalyzed Enantioselective Hydrogenation of Minimally Functionalized Alkenes: Isotopic Labeling Provides Insight into the Origin of Stereoselectivity and Alkene Insertion Preferences.","Journal of the American Chemical Society","2016","138","10","3314","3324","10.1021/jacs.5b10148","","","1.54178","CuKα","","0.0269","0.0264","","","0.0688","0.0699","","","","","","1.042","","","","has coordinates","240410","2020-10-21","18:00:00",""
"4129748","5.4967","0.0001","8.2618","0.0002","28.2779","0.0007","90","","90","","90","","1284.17","0.05","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C17 H18 O -","- C17 H18 O -","- C68 H72 O4 -","4","1","","Friedfeld, Max R.; Shevlin, Michael; Margulieux, Grant W.; Campeau, Louis-Charles; Chirik, Paul J.","Cobalt-Catalyzed Enantioselective Hydrogenation of Minimally Functionalized Alkenes: Isotopic Labeling Provides Insight into the Origin of Stereoselectivity and Alkene Insertion Preferences.","Journal of the American Chemical Society","2016","138","10","3314","3324","10.1021/jacs.5b10148","","","1.54178","CuKα","","0.0254","0.0245","","","0.0634","0.0639","","","","","","1.066","","","","has coordinates","240410","2020-10-21","18:00:00",""
"4129750","9.7066","0.0006","10.7975","0.0007","17.3275","0.0009","73.895","0.005","83.456","0.005","64.558","0.006","1575.54","0.19","160","2","160","2","","","","","","","","6","P -1","-P 1","2","","","","- C32 H29 Au F9 O2 P -","- C32 H29 Au F9 O2 P -","- C64 H58 Au2 F18 O4 P2 -","2","1","","García-Domínguez, Patricia; Nevado, Cristina","Au-Pd Bimetallic Catalysis: The Importance of Anionic Ligands in Catalyst Speciation.","Journal of the American Chemical Society","2016","138","10","3266","3269","10.1021/jacs.5b10277","","","0.71073","MoKα","","0.052","0.0424","","","0.1013","0.1067","","","","","","1.14","","","","has coordinates,has disorder","240412","2020-10-21","18:00:00",""
"4129760","10.28","0.003","7.7913","0.0019","6.3715","0.0016","90","","119.12","0.03","90","","445.8","0.2","293","","293","","","","","","","","","3","C 1 2/m 1","-C 2y","12","Manganese silicon carbide","","","- C4 Mn16 Si -","- C4 Mn16 Si -","- C8 Mn32 Si2 -","2","0.25","","Fredrickson, Rie T.; Guo, Yiming; Fredrickson, Daniel C.","Epitaxial Stabilization between Intermetallic and Carbide Domains in the Structures of Mn16SiC4 and Mn17Si2C4.","Journal of the American Chemical Society","2016","138","1","248","256","10.1021/jacs.5b10355","","x-ray","0.71069","MoKα","","0.0466","0.0265","","","0.0459","0.0536","","","","1.11","1.11","1.12","","","","has coordinates","240418","2020-10-21","18:00:00",""
"4129761","6.4114","0.0009","7.6648","0.0005","10.4946","0.0016","90","","106.247","0.013","90","","495.13","0.11","293","","293","","","","","","","","","3","P 1 21/m 1","-P 2yb","11","Manganese silicon carbide","","","- C4 Mn17 Si2 -","- C4 Mn17 Si2 -","- C8 Mn34 Si4 -","2","0.5","","Fredrickson, Rie T.; Guo, Yiming; Fredrickson, Daniel C.","Epitaxial Stabilization between Intermetallic and Carbide Domains in the Structures of Mn16SiC4 and Mn17Si2C4.","Journal of the American Chemical Society","2016","138","1","248","256","10.1021/jacs.5b10355","","x-ray","0.71073","MoKα","","0.0505","0.0329","","","0.0338","0.0383","","","","1.19","1.19","1.16","","","","has coordinates","240419","2020-10-21","18:00:00",""
"4129767","14.2394","0.0004","26.1832","0.0007","15.1396","0.0004","90","","92.935","0.002","90","","5637.1","0.3","193","2","193","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C63 H58 Cl2 I2 O -","- C63 H58 Cl2 I2 O -","- C252 H232 Cl8 I8 O4 -","4","1","","Liu, Junzhi; Narita, Akimitsu; Osella, Silvio; Zhang, Wen; Schollmeyer, Dieter; Beljonne, David; Feng, Xinliang; Müllen, Klaus","Unexpected Scholl Reaction of 6,7,13,14-Tetraarylbenzo[k]tetraphene: Selective Formation of Five-Membered Rings in Polycyclic Aromatic Hydrocarbons.","Journal of the American Chemical Society","2016","138","8","2602","2608","10.1021/jacs.5b10399","","","0.71073","MoKα","","0.0841","0.0496","","","0.1271","0.1484","","","","","","1.032","","","","has coordinates,has disorder","240424","2020-10-21","18:00:00",""
"4129768","21.3286","0.0015","10.7441","0.001","25.2843","0.0015","90","","109.77","0.005","90","","5452.6","0.7","193","2","193","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C62 H58 O -","- C62 H58 O -","- C248 H232 O4 -","4","1","","Liu, Junzhi; Narita, Akimitsu; Osella, Silvio; Zhang, Wen; Schollmeyer, Dieter; Beljonne, David; Feng, Xinliang; Müllen, Klaus","Unexpected Scholl Reaction of 6,7,13,14-Tetraarylbenzo[k]tetraphene: Selective Formation of Five-Membered Rings in Polycyclic Aromatic Hydrocarbons.","Journal of the American Chemical Society","2016","138","8","2602","2608","10.1021/jacs.5b10399","","","0.71073","MoKα","","0.2417","0.0908","","","0.2146","0.3095","","","","","","0.928","","","","has coordinates,has disorder","240425","2020-10-21","18:00:00",""
"4129769","18.9493","0.0009","21.4331","0.001","14.0256","0.0007","90","","106.246","0.004","90","","5468.9","0.5","193","2","193","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C63 H62 Cl2 I2 -","- C63 H62 Cl2 I2 -","- C252 H248 Cl8 I8 -","4","0.5","","Liu, Junzhi; Narita, Akimitsu; Osella, Silvio; Zhang, Wen; Schollmeyer, Dieter; Beljonne, David; Feng, Xinliang; Müllen, Klaus","Unexpected Scholl Reaction of 6,7,13,14-Tetraarylbenzo[k]tetraphene: Selective Formation of Five-Membered Rings in Polycyclic Aromatic Hydrocarbons.","Journal of the American Chemical Society","2016","138","8","2602","2608","10.1021/jacs.5b10399","","","0.71073","MoKα","","0.07","0.0662","","","0.1687","0.1724","","","","","","1.148","","","","has coordinates,has disorder","240426","2020-10-21","18:00:00",""
"4129770","10.474","0.002","15.073","0.003","18.188","0.004","90.659","0.006","106.259","0.006","105.609","0.006","2643.2","0.9","173","2","173","2","","","","","","","","2","P -1","-P 1","2","","","","- C62 H58 -","- C62 H58 -","- C124 H116 -","2","1","","Liu, Junzhi; Narita, Akimitsu; Osella, Silvio; Zhang, Wen; Schollmeyer, Dieter; Beljonne, David; Feng, Xinliang; Müllen, Klaus","Unexpected Scholl Reaction of 6,7,13,14-Tetraarylbenzo[k]tetraphene: Selective Formation of Five-Membered Rings in Polycyclic Aromatic Hydrocarbons.","Journal of the American Chemical Society","2016","138","8","2602","2608","10.1021/jacs.5b10399","","","0.71073","MoKα","","0.3213","0.0948","","","0.2003","0.2929","","","","","","0.885","","","","has coordinates,has disorder","240427","2020-10-21","18:00:00",""
"4129799","10.0441","0.0015","10.5253","0.0016","11.3491","0.0015","78.453","0.008","71.594","0.008","68.025","0.008","1051.1","0.3","223","2","223","","","","","","","","","5","P -1","-P 1","2","","","","- C43 H35 Mn2 N5 O9 -","- C43 H35 Mn2 N5 O9 -","- C43 H35 Mn2 N5 O9 -","1","0.5","","Foo, Maw Lin; Matsuda, Ryotaro; Hijikata, Yuh; Krishna, Rajamani; Sato, Hiroshi; Horike, Satoshi; Hori, Akihiro; Duan, Jingui; Sato, Yohei; Kubota, Yoshiki; Takata, Masaki; Kitagawa, Susumu","An Adsorbate Discriminatory Gate Effect in a Flexible Porous Coordination Polymer for Selective Adsorption of CO2 over C2H2.","Journal of the American Chemical Society","2016","138","9","3022","3030","10.1021/jacs.5b10491","","","0.71073","MoKα","","","0.1105","","","","0.2503","","","","","","1.256","","","","has coordinates","240454","2020-10-21","18:00:00",""
"4129800","9.296","0.006","10.188","0.007","12.034","0.008","95.769","0.009","99.637","0.003","115.673","0.008","993.3","1.1","223","2","223","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H14 Mn N2 O4 -","- C20 H14 Mn N2 O4 -","- C40 H28 Mn2 N4 O8 -","2","1","","Foo, Maw Lin; Matsuda, Ryotaro; Hijikata, Yuh; Krishna, Rajamani; Sato, Hiroshi; Horike, Satoshi; Hori, Akihiro; Duan, Jingui; Sato, Yohei; Kubota, Yoshiki; Takata, Masaki; Kitagawa, Susumu","An Adsorbate Discriminatory Gate Effect in a Flexible Porous Coordination Polymer for Selective Adsorption of CO2 over C2H2.","Journal of the American Chemical Society","2016","138","9","3022","3030","10.1021/jacs.5b10491","","","0.71073","MoKα","","0.0678","0.0581","","","0.1638","0.1759","","","","","","1.225","","","","has coordinates","240454","2020-10-21","18:00:00",""
"4129801","10.0354","0.0007","10.8657","0.0008","10.8045","0.0009","92.238","0.007","98.521","0.005","121.811","0.005","980.45","0.14","298","","298","","","","","","","","","5","P -1","-P 1","2","","","","- C20 H14 Mn N2 O4 -","- C20 H14 Mn N2 O4 -","- C40 H28 Mn2 N4 O8 -","2","1","","Foo, Maw Lin; Matsuda, Ryotaro; Hijikata, Yuh; Krishna, Rajamani; Sato, Hiroshi; Horike, Satoshi; Hori, Akihiro; Duan, Jingui; Sato, Yohei; Kubota, Yoshiki; Takata, Masaki; Kitagawa, Susumu","An Adsorbate Discriminatory Gate Effect in a Flexible Porous Coordination Polymer for Selective Adsorption of CO2 over C2H2.","Journal of the American Chemical Society","2016","138","9","3022","3030","10.1021/jacs.5b10491","powder diffraction","","0.8","synchrotron","","","","","","","","","","1.54","","","","","","","has coordinates","240454","2020-10-21","18:00:00",""
"4129802","11.3862","0.0002","21.3855","0.0003","21.4813","0.0003","82.214","0.001","82.982","0.001","78.224","0.001","5049.24","0.14","100","2","100","2","","","","","","","","3","P -1","-P 1","2","BETX","","","- C70 H58 O -","- C70 H58 O -","- C280 H232 O4 -","4","2","","Korovina, Nadezhda V.; Das, Saptaparna; Nett, Zachary; Feng, Xintian; Joy, Jimmy; Haiges, Ralf; Krylov, Anna I.; Bradforth, Stephen E.; Thompson, Mark E.","Singlet Fission in a Covalently Linked Cofacial Alkynyltetracene Dimer.","Journal of the American Chemical Society","2016","138","2","617","627","10.1021/jacs.5b10550","","","1.54178","CuKα","","0.0838","0.0695","","","0.1823","0.1966","","","","","","1.026","","","","has coordinates,has disorder","240455","2020-10-21","18:00:00",""
"4129803","20.5497","0.0014","13.1892","0.0009","14.0762","0.001","90","","130.172","0.0008","90","","2915.2","0.4","100","2","100","2","","","","","","","","2","C 1 2/c 1","-C 2yc","15","BETA","","","- C46 H26 -","- C46 H26 -","- C184 H104 -","4","0.5","","Korovina, Nadezhda V.; Das, Saptaparna; Nett, Zachary; Feng, Xintian; Joy, Jimmy; Haiges, Ralf; Krylov, Anna I.; Bradforth, Stephen E.; Thompson, Mark E.","Singlet Fission in a Covalently Linked Cofacial Alkynyltetracene Dimer.","Journal of the American Chemical Society","2016","138","2","617","627","10.1021/jacs.5b10550","","","0.71073","MoKα","","0.0504","0.0418","","","0.1236","0.1341","","","","","","1.006","","","","has coordinates","240456","2020-10-21","18:00:00",""
"4129807","10.7307","0.0009","14.8887","0.0013","15.7012","0.0011","91.371","0.003","90.174","0.003","95.164","0.004","2497.6","0.3","150","2","150","2","","","","","","","","6","P -1","-P 1","2","[Re(C6Et6)(CO)3][Al(OtBuF)4]","","","- C37 H30 Al F36 O7 Re -","- C37 H30 Al F36 O7 Re -","- C74 H60 Al2 F72 O14 Re2 -","2","1","","Yau, Hon Man; McKay, Alasdair I.; Hesse, Henrique; Xu, Ran; He, Mushi; Holt, Camille E.; Ball, Graham E.","Observation of Cationic Transition Metal-Alkane Complexes with Moderate Stability in Hydrofluorocarbon Solution.","Journal of the American Chemical Society","2016","138","1","281","288","10.1021/jacs.5b10583","","x-ray","0.71073","MoKα","","0.0814","0.0671","","","0.1704","0.1828","","","","","","1.038","","","","has coordinates,has disorder","240460","2020-10-21","18:00:00",""
"4129814","16.9362","0.0005","11.0662","0.0003","31.4144","0.0009","90","","97.226","0.001","90","","5840.9","0.3","100","2","100","2","","","","","","","","7","P 1 2/c 1","-P 2yc","13","","","","- C4.55 H7.09 Cl0.36 F1.27 N0 P0.18 Sb0.18 -","- C4.54545 H7.09091 Cl0.363636 F1.27273 P0.181818 Sb0.181818 -","- C200 H312 Cl16 F56 P8 Sb8 -","44","11","","Kawai, Hiroyuki; Wolf, William J.; DiPasquale, Antonio G.; Winston, Matthew S.; Toste, F. Dean","Phosphonium Formation by Facile Carbon-Phosphorus Reductive Elimination from Gold(III).","Journal of the American Chemical Society","2016","138","2","587","593","10.1021/jacs.5b10720","","","0.71073","MoKα","","0.0628","0.0463","","","0.0988","0.1064","","","","","","1.061","","","","has coordinates","240467","2020-10-21","18:00:00",""
"4129815","8.7273","0.0004","24.577","0.0011","13.4107","0.0006","90","","104.117","0.002","90","","2789.6","0.2","250","2","250","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","KH-907","toste112","","- C30 H19 Au Cl F6 P -","- C30 H19 Au Cl F6 P -","- C120 H76 Au4 Cl4 F24 P4 -","4","1","","Kawai, Hiroyuki; Wolf, William J.; DiPasquale, Antonio G.; Winston, Matthew S.; Toste, F. Dean","Phosphonium Formation by Facile Carbon-Phosphorus Reductive Elimination from Gold(III).","Journal of the American Chemical Society","2016","138","2","587","593","10.1021/jacs.5b10720","","","0.71073","MoKα","","0.1205","0.0487","","","0.0746","0.0925","","","","","","1.025","","","","has coordinates,has disorder","240468","2020-10-21","18:00:00",""
"4129816","8.1704","0.0018","11.455","0.002","17.998","0.004","76.179","0.004","85.607","0.004","79.817","0.004","1608.9","0.6","100","2","100","2","","","","","","","","7","P -1","-P 1","2","KH-1450","toste127","","- C73 H50 Au2 Cl4 F10 O4 P2 -","- C73 H50 Au2 Cl4 F10 O4 P2 -","- C73 H50 Au2 Cl4 F10 O4 P2 -","1","0.5","","Kawai, Hiroyuki; Wolf, William J.; DiPasquale, Antonio G.; Winston, Matthew S.; Toste, F. Dean","Phosphonium Formation by Facile Carbon-Phosphorus Reductive Elimination from Gold(III).","Journal of the American Chemical Society","2016","138","2","587","593","10.1021/jacs.5b10720","","","0.71073","MoKα","","0.0212","0.018","","","0.0384","0.0405","","","","","","1.085","","","","has coordinates,has disorder","240469","2020-10-21","18:00:00",""
"4129817","9.1432","0.0005","12.2321","0.0007","17.9451","0.001","104.66","0.003","103.941","0.003","95.085","0.003","1860.38","0.19","100","2","100","2","","","","","","","","7","P -1","-P 1","2","KH-1502","toste133","","- C38 H28 Au Cl5 F5 O2 P -","- C38 H28 Au Cl5 F5 O2 P -","- C76 H56 Au2 Cl10 F10 O4 P2 -","2","1","","Kawai, Hiroyuki; Wolf, William J.; DiPasquale, Antonio G.; Winston, Matthew S.; Toste, F. Dean","Phosphonium Formation by Facile Carbon-Phosphorus Reductive Elimination from Gold(III).","Journal of the American Chemical Society","2016","138","2","587","593","10.1021/jacs.5b10720","","","0.71073","MoKα","","0.0569","0.0458","","","0.1109","0.1211","","","","","","1.071","","","","has coordinates,has disorder","240470","2020-10-21","18:00:00",""
"4129818","8.6367","0.0006","11.9128","0.0008","12.4392","0.0008","103.096","0.001","91.766","0.002","103.918","0.001","1205.01","0.14","100","2","100","2","","","","","","","","5","P -1","-P 1","2","KH-1484","toste130","","- C30 H26 Cl O3 P -","- C30 H26 Cl O3 P -","- C60 H52 Cl2 O6 P2 -","2","1","","Kawai, Hiroyuki; Wolf, William J.; DiPasquale, Antonio G.; Winston, Matthew S.; Toste, F. Dean","Phosphonium Formation by Facile Carbon-Phosphorus Reductive Elimination from Gold(III).","Journal of the American Chemical Society","2016","138","2","587","593","10.1021/jacs.5b10720","","","0.71073","MoKα","","0.0791","0.0486","","","0.0859","0.0984","","","","","","1.058","","","","has coordinates,has disorder","240471","2020-10-21","18:00:00",""
"4129819","10.2613","0.0004","16.3734","0.0007","19.8407","0.0008","90","","97.3","0.002","90","","3306.5","0.2","100","2","100","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C29 H42 Au Cl F7 N P Sb -","- C29 H42 Au Cl F7 N P Sb -","- C116 H168 Au4 Cl4 F28 N4 P4 Sb4 -","4","1","","Kawai, Hiroyuki; Wolf, William J.; DiPasquale, Antonio G.; Winston, Matthew S.; Toste, F. Dean","Phosphonium Formation by Facile Carbon-Phosphorus Reductive Elimination from Gold(III).","Journal of the American Chemical Society","2016","138","2","587","593","10.1021/jacs.5b10720","","","0.71073","MoKα","","0.0185","0.0155","","","0.0331","0.0341","","","","","","1.048","","","","has coordinates","240472","2020-10-21","18:00:00",""
"4129820","8.423","0.0003","27.385","0.0008","12.2756","0.0004","90","","91.736","0.002","90","","2830.24","0.16","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","KH-1250","toste123","","- C30 H24 Au Cl4 O2 P -","- C30 H24 Au Cl4 O2 P -","- C120 H96 Au4 Cl16 O8 P4 -","4","1","","Kawai, Hiroyuki; Wolf, William J.; DiPasquale, Antonio G.; Winston, Matthew S.; Toste, F. Dean","Phosphonium Formation by Facile Carbon-Phosphorus Reductive Elimination from Gold(III).","Journal of the American Chemical Society","2016","138","2","587","593","10.1021/jacs.5b10720","","","0.71073","MoKα","","0.0233","0.0204","","","0.0384","0.0389","","","","","","1.176","","","","has coordinates","240473","2020-10-21","18:00:00",""
"4129841","6.52","0.004","18.36","0.01","12.283","0.007","90","","99.174","0.01","90","","1451.6","1.5","293","","293","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C28 H37 Cl N2 O3 Si -","- C28 H37 Cl N2 O3 Si -","- C56 H74 Cl2 N4 O6 Si2 -","2","1","","Cheng, Qing-Qing; Yedoyan, Julietta; Arman, Hadi; Doyle, Michael P.","Copper-Catalyzed Divergent Addition Reactions of Enoldiazoacetamides with Nitrones.","Journal of the American Chemical Society","2016","138","1","44","47","10.1021/jacs.5b10860","","","0.71075","MoKα","","0.0925","0.0782","","","0.1385","0.1474","","","","","","1.036","","","","has coordinates","240494","2020-10-21","18:00:00",""
"4129847","11.4134","0.0004","6.2066","0.0002","11.8551","0.0004","90","","103.613","0.002","90","","816.2","0.05","203","2","203","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C17 H23 N O4 -","- C17 H23 N O4 -","- C34 H46 N2 O8 -","2","1","","Tallmadge, Evan H.; Jermaks, Janis; Collum, David B.","Structure-Reactivity Relationships in Lithiated Evans Enolates: Influence of Aggregation and Solvation on the Stereochemistry and Mechanism of Aldol Additions.","Journal of the American Chemical Society","2016","138","1","345","355","10.1021/jacs.5b10980","","","0.71073","MoKα","","0.0466","0.0379","","","0.0941","0.1012","","","","","","1.002","","","","has coordinates","240499","2020-10-21","18:00:00",""
"4129848","5.7701","0.0006","13.3976","0.0012","22.752","0.002","90","","90","","90","","1758.9","0.3","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C19 H25 N O4 -","- C19 H25 N O4 -","- C76 H100 N4 O16 -","4","1","","Tallmadge, Evan H.; Jermaks, Janis; Collum, David B.","Structure-Reactivity Relationships in Lithiated Evans Enolates: Influence of Aggregation and Solvation on the Stereochemistry and Mechanism of Aldol Additions.","Journal of the American Chemical Society","2016","138","1","345","355","10.1021/jacs.5b10980","","","0.71073","MoKα","","0.0812","0.0356","","","0.0662","0.0808","","","","","","1.06","","","","has coordinates","240500","2020-10-21","18:00:00",""
"4129849","17.784","0.004","17.784","0.004","53.14","0.005","90","","90","","120","","14555","5","223","2","223","2","","","","","","","","5","R -3 m :H","-R 3 2""","166","","","","- C6 H N0.33 O3.5 Zn0.58 -","- C5.98333 H N0.333333 O3.5 Zn0.583333 -","- C215.4 H36 N12 O126 Zn21 -","36","1","","Zhang, Zhenjie; Nguyen, Ha Thi Hoang; Miller, Stephen A.; Ploskonka, Ann M.; DeCoste, Jared B.; Cohen, Seth M.","Polymer-Metal-Organic Frameworks (polyMOFs) as Water Tolerant Materials for Selective Carbon Dioxide Separations.","Journal of the American Chemical Society","2016","138","3","920","925","10.1021/jacs.5b11034","","","0.71073","MoKα","","0.1217","0.0983","","","0.2571","0.2754","","","","","","1.425","","","","has coordinates","240501","2020-10-21","18:00:00",""
"4129858","7.5087","0.0002","19.9025","0.0006","11.5097","0.0005","90","","93.255","0.003","90","","1717.26","0.1","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C13 H15 N O2 -","- C13 H15 N O2 -","- C78 H90 N6 O12 -","6","3","","Deng, Lin; Xu, Tao; Li, Hongbo; Dong, Guangbin","Enantioselective Rh-Catalyzed Carboacylation of C═N Bonds via C-C Activation of Benzocyclobutenones.","Journal of the American Chemical Society","2016","138","1","369","374","10.1021/jacs.5b11120","","","1.54184","CuKα","","0.0318","0.0308","","","0.0791","0.0801","","","","","","1.047","","","","has coordinates","240510","2020-10-21","18:00:00",""
"4129859","8.3112","0.0015","7.2566","0.0013","8.9068","0.0017","90","","95.146","0.002","90","","535.01","0.17","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C12 H13 N O3 -","- C12 H13 N O3 -","- C24 H26 N2 O6 -","2","1","","Deng, Lin; Xu, Tao; Li, Hongbo; Dong, Guangbin","Enantioselective Rh-Catalyzed Carboacylation of C═N Bonds via C-C Activation of Benzocyclobutenones.","Journal of the American Chemical Society","2016","138","1","369","374","10.1021/jacs.5b11120","","","1.54184","CuKα","","0.0236","0.0236","","","0.0632","0.0633","","","","","","1.064","","","","has coordinates","240511","2020-10-21","18:00:00",""
"4129860","9.6015","0.0003","14.9637","0.0005","8.9947","0.0003","90","","104.171","0.003","90","","1252.98","0.07","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H17 N O3 -","- C15 H17 N O3 -","- C60 H68 N4 O12 -","4","1","","Deng, Lin; Xu, Tao; Li, Hongbo; Dong, Guangbin","Enantioselective Rh-Catalyzed Carboacylation of C═N Bonds via C-C Activation of Benzocyclobutenones.","Journal of the American Chemical Society","2016","138","1","369","374","10.1021/jacs.5b11120","","","1.54184","CuKα","","0.0632","0.052","","","0.2109","0.2144","","","","","","1.087","","","","has coordinates","240512","2020-10-21","18:00:00",""
"4129861","8.7567","0.0012","7.246","0.001","9.0118","0.0014","90","","96.915","0.007","90","","567.65","0.14","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C12 H12 Cl N O3 -","- C12 H12 Cl N O3 -","- C24 H24 Cl2 N2 O6 -","2","1","","Deng, Lin; Xu, Tao; Li, Hongbo; Dong, Guangbin","Enantioselective Rh-Catalyzed Carboacylation of C═N Bonds via C-C Activation of Benzocyclobutenones.","Journal of the American Chemical Society","2016","138","1","369","374","10.1021/jacs.5b11120","","","1.54184","CuKα","","0.0209","0.0207","","","0.0547","0.055","","","","","","1.063","","","","has coordinates","240513","2020-10-21","18:00:00",""
"4129862","8.2495","0.0003","12.0484","0.0003","14.9606","0.0007","90","","90","","90","","1486.98","0.1","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C19 H19 N O2.2 -","- C19 H18.83 N O2.17 -","- C76 H75.32 N4 O8.68 -","4","1","","Deng, Lin; Xu, Tao; Li, Hongbo; Dong, Guangbin","Enantioselective Rh-Catalyzed Carboacylation of C═N Bonds via C-C Activation of Benzocyclobutenones.","Journal of the American Chemical Society","2016","138","1","369","374","10.1021/jacs.5b11120","","","1.54184","CuKα","","0.0434","0.041","","","0.103","0.1049","","","","","","1.05","","","","has coordinates","240514","2020-10-21","18:00:00",""
"4129877","14.8407","0.0005","25.2345","0.0006","16.6932","0.0004","90","","91.48","0.003","90","","6249.5","0.3","100","0.2","100","0.2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C60 H88 Cu2 Li4 O4 Si4 -","- C60 H88 Cu2 Li4 O4 Si4 -","- C240 H352 Cu8 Li16 O16 Si16 -","4","0.5","","Wei, Junnian; Zhang, Yongliang; Chi, Yue; Liu, Liang; Zhang, Wen-Xiong; Xi, Zhenfeng","Aromatic Dicupra[10]annulenes.","Journal of the American Chemical Society","2016","138","1","60","63","10.1021/jacs.5b11317","","","0.71073","MoKα","","0.0471","0.0329","","","0.0748","0.0818","","","","","","1.051","","","","has coordinates","240528","2020-10-21","18:00:00",""
"4129878","14.2938","0.0003","14.2938","0.0003","12.2777","0.0003","90","","90","","90","","2508.49","0.1","100.02","0.13","100.02","0.13","","","","","","","","6","P -4 n 2","P -4 -2n","118","","","","- C40 H80 Cu2 Li4 O4 Si4 -","- C40 H80 Cu2 Li4 O4 Si4 -","- C80 H160 Cu4 Li8 O8 Si8 -","2","0.25","","Wei, Junnian; Zhang, Yongliang; Chi, Yue; Liu, Liang; Zhang, Wen-Xiong; Xi, Zhenfeng","Aromatic Dicupra[10]annulenes.","Journal of the American Chemical Society","2016","138","1","60","63","10.1021/jacs.5b11317","","","0.71073","MoKα","","0.0316","0.0264","","","0.0635","0.0667","","","","","","1.077","","","","has coordinates,has disorder","240528","2020-10-21","18:00:00",""
"4129879","12.3581","0.0004","22.2386","0.0008","19.3513","0.0007","90","","93.795","0.003","90","","5306.6","0.3","180.01","0.1","180.01","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C44 H84 Cu2 Li4 O4 Si4 -","- C44 H84 Cu2 Li4 O4 Si4 -","- C176 H336 Cu8 Li16 O16 Si16 -","4","1","","Wei, Junnian; Zhang, Yongliang; Chi, Yue; Liu, Liang; Zhang, Wen-Xiong; Xi, Zhenfeng","Aromatic Dicupra[10]annulenes.","Journal of the American Chemical Society","2016","138","1","60","63","10.1021/jacs.5b11317","","","0.71073","MoKα","","0.0848","0.0548","","","0.1334","0.1569","","","","","","1.036","","","","has coordinates,has disorder","240528","2020-10-21","18:00:00",""
"4129880","24.461","0.0008","10.7746","0.0003","20.9554","0.0007","90","","90","","90","","5523","0.3","180","0.1","180","0.1","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C52 H72 Cu2 Li2 O2 Si4 -","- C52 H72 Cu2 Li2 O2 Si4 -","- C208 H288 Cu8 Li8 O8 Si16 -","4","1","","Wei, Junnian; Zhang, Yongliang; Chi, Yue; Liu, Liang; Zhang, Wen-Xiong; Xi, Zhenfeng","Aromatic Dicupra[10]annulenes.","Journal of the American Chemical Society","2016","138","1","60","63","10.1021/jacs.5b11317","","","0.71073","MoKα","","0.0886","0.0561","","","0.1252","0.1432","","","","","","1.016","","","","has coordinates,has disorder","240528","2020-10-21","18:00:00",""
"4129881","4.8526","0.0001","26.9297","0.0005","8.2964","0.0001","90","","95.471","0.001","90","","1079.23","0.03","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","6,13-bis[carbo(3-hydroxypropoxy)]-1,4,8,11-tetraazacyclotetradeca-4,6,11,13-tetraenato(2-)-k4N(1,4,8,11)copper(II)","","- C18 H30 Cu N4 O8 -","- C18 H30 Cu N4 O8 -","- C36 H60 Cu2 N8 O16 -","2","0.5","","Duprey, Jean-Louis H A; Carr-Smith, James; Horswell, Sarah L.; Kowalski, Jarosław; Tucker, James H. R.","Macrocyclic Metal Complex-DNA Conjugates for Electrochemical Sensing of Single Nucleobase Changes in DNA.","Journal of the American Chemical Society","2016","138","3","746","749","10.1021/jacs.5b11319","","","1.54178","CuKα","","0.032","0.0307","","","0.0869","0.0885","","","","","","1.062","","","","has coordinates,has disorder","240529","2020-10-21","18:00:00",""
"4129882","8.9733","0.0003","10.6271","0.0003","22.7977","0.0007","86.251","0.001","82.156","0.001","79.364","0.001","2114.85","0.11","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","'6-carbo[2,2-bis(hydroxymethyl)]butoxy-13-carbomethoxy-1,4,8,11-tetraazacyclotetradeca-4,6,11,13-tetraenato(2-)-k4N(1,4,8,11)copper(II)","","- C19 H28 Cu N4 O6 -","- C19 H28 Cu N4 O6 -","- C76 H112 Cu4 N16 O24 -","4","2","","Duprey, Jean-Louis H A; Carr-Smith, James; Horswell, Sarah L.; Kowalski, Jarosław; Tucker, James H. R.","Macrocyclic Metal Complex-DNA Conjugates for Electrochemical Sensing of Single Nucleobase Changes in DNA.","Journal of the American Chemical Society","2016","138","3","746","749","10.1021/jacs.5b11319","","","1.54178","CuKα","","0.0418","0.0389","","","0.1129","0.1172","","","","","","1.032","","","","has coordinates","240530","2020-10-21","18:00:00",""
"4129886","24.9455","0.0002","19.28742","0.00018","11.27639","0.00009","90","","90","","90","","5425.46","0.08","150","2","150","2","","","","","","","","4","P 21 21 2","P 2 2ab","18","","","","- C86 H162 N16 O35 -","- C86 H162 N16 O35 -","- C172 H324 N32 O70 -","2","0.5","","Li, Qinglian; Qin, Xiangjing; Liu, Jing; Gui, Chun; Wang, Bo; Li, Jie; Ju, Jianhua","Deciphering the Biosynthetic Origin of L-allo-Isoleucine.","Journal of the American Chemical Society","2016","138","1","408","415","10.1021/jacs.5b11380","","","1.54184","CuKα","","0.0472","0.0457","","","0.1275","0.1293","","","","","","1.054","","","","has coordinates","240534","2020-10-21","18:00:00",""
"4129887","11.9287","0.0005","15.9954","0.0006","19.3548","0.0008","96.666","0.001","107.76","0.001","94.002","0.001","3471.5","0.2","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C51 H76 Cl2 F12 N2 P6 Pt2 -","- C51 H76 Cl2 F12 N2 P6 Pt2 -","- C102 H152 Cl4 F24 N4 P12 Pt4 -","2","1","","Jiang, Bo; Zhang, Jing; Ma, Jian-Qiu; Zheng, Wei; Chen, Li-Jun; Sun, Bin; Li, Chao; Hu, Bing-Wen; Tan, Hongwei; Li, Xiaopeng; Yang, Hai-Bo","Vapochromic Behavior of a Chair-Shaped Supramolecular Metallacycle with Ultra-Stability.","Journal of the American Chemical Society","2016","138","3","738","741","10.1021/jacs.5b11409","","","0.71073","MoKα","","0.0429","0.0314","","","0.0824","0.0867","","","","","","1.069","","","","has coordinates","240535","2020-10-21","18:00:00",""
"4129888","5.9186","0.0003","7.6659","0.0004","41.4766","0.0019","90","","90","","90","","1881.85","0.16","173","2","173","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C19 H20 Br N O3 S -","- C19 H20 Br N O3 S -","- C76 H80 Br4 N4 O12 S4 -","4","1","","Zeng, Xing-Ping; Cao, Zhong-Yan; Wang, Xin; Chen, Long; Zhou, Feng; Zhu, Feng; Wang, Cui-Hong; Zhou, Jian","Activation of Chiral (Salen)AlCl Complex by Phosphorane for Highly Enantioselective Cyanosilylation of Ketones and Enones.","Journal of the American Chemical Society","2016","138","1","416","425","10.1021/jacs.5b11476","","","0.71073","MoKα","","0.0331","0.0308","","","0.0711","0.0721","","","","","","1.08","","","","has coordinates","240536","2020-10-21","18:00:00",""
"4129889","7.7418","0.0004","12.0109","0.0006","10.5954","0.0006","90","","103.683","0.002","90","","957.26","0.09","173","2","173","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C19 H19 Br2 N O3 S -","- C19 H19 Br2 N O3 S -","- C38 H38 Br4 N2 O6 S2 -","2","1","","Zeng, Xing-Ping; Cao, Zhong-Yan; Wang, Xin; Chen, Long; Zhou, Feng; Zhu, Feng; Wang, Cui-Hong; Zhou, Jian","Activation of Chiral (Salen)AlCl Complex by Phosphorane for Highly Enantioselective Cyanosilylation of Ketones and Enones.","Journal of the American Chemical Society","2016","138","1","416","425","10.1021/jacs.5b11476","","","0.71073","MoKα","","0.0269","0.0242","","","0.0507","0.0522","","","","","","1.056","","","","has coordinates","240537","2020-10-21","18:00:00",""
"4129890","17.4022","0.001","13.7426","0.0008","19.3267","0.0011","90","","112.747","0.0007","90","","4262.5","0.4","133","2","133","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C33 H64 Si6 Th -","- C33 H64 Si6 Th -","- C132 H256 Si24 Th4 -","4","1","","Langeslay, Ryan R.; Fieser, Megan E.; Ziller, Joseph W.; Furche, Filipp; Evans, William J.","Expanding Thorium Hydride Chemistry Through Th²⁺, Including the Synthesis of a Mixed-Valent Th⁴⁺/Th³⁺ Hydride Complex.","Journal of the American Chemical Society","2016","138","12","4036","4045","10.1021/jacs.5b11508","","","0.71073","MoKα","","0.03","0.0225","","","0.0494","0.0522","","","","","","1.031","","","","has coordinates,has disorder","240538","2020-10-21","18:00:00",""
"4129891","15.8189","0.0007","15.8189","0.0007","16.2473","0.0007","90","","90","","120","","3521","0.3","88","2","88","2","","","","","","","","3","R -3 :H","-R 3","148","","","","- C27 H40 Th -","- C27 H40 Th -","- C162 H240 Th6 -","6","0.333333","","Langeslay, Ryan R.; Fieser, Megan E.; Ziller, Joseph W.; Furche, Filipp; Evans, William J.","Expanding Thorium Hydride Chemistry Through Th²⁺, Including the Synthesis of a Mixed-Valent Th⁴⁺/Th³⁺ Hydride Complex.","Journal of the American Chemical Society","2016","138","12","4036","4045","10.1021/jacs.5b11508","","","0.71073","MoKα","","0.0176","0.0142","","","0.0304","0.0316","","","","","","1.079","","","","has coordinates,has disorder","240539","2020-10-21","18:00:00",""
"4129892","12.0864","0.0005","14.4795","0.0006","16.9216","0.0007","107.436","0.0005","102.845","0.0005","109.223","0.0005","2492.69","0.18","88","2","88","2","","","","","","","","6","P -1","-P 1","2","","","","- C49 H83 K N2 O7 Th -","- C49 H83 K N2 O7 Th -","- C98 H166 K2 N4 O14 Th2 -","2","1","","Langeslay, Ryan R.; Fieser, Megan E.; Ziller, Joseph W.; Furche, Filipp; Evans, William J.","Expanding Thorium Hydride Chemistry Through Th²⁺, Including the Synthesis of a Mixed-Valent Th⁴⁺/Th³⁺ Hydride Complex.","Journal of the American Chemical Society","2016","138","12","4036","4045","10.1021/jacs.5b11508","","","0.71073","MoKα","","0.0407","0.0358","","","0.0853","0.0877","","","","","","1.068","","","","has coordinates","240540","2020-10-21","18:00:00",""
"4129893","13.1226","0.0006","16.1953","0.0007","19.4312","0.0008","93.503","0.0005","93.5208","0.0005","95.9729","0.0005","4089.9","0.3","88","2","88","2","","","","","","","","6","P -1","-P 1","2","","","","- C62 H127 K O7.5 Si8 Th2 -","- C62 H127 K O7.5 Si8 Th2 -","- C124 H254 K2 O15 Si16 Th4 -","2","1","","Langeslay, Ryan R.; Fieser, Megan E.; Ziller, Joseph W.; Furche, Filipp; Evans, William J.","Expanding Thorium Hydride Chemistry Through Th²⁺, Including the Synthesis of a Mixed-Valent Th⁴⁺/Th³⁺ Hydride Complex.","Journal of the American Chemical Society","2016","138","12","4036","4045","10.1021/jacs.5b11508","","","0.71073","MoKα","","0.0223","0.0191","","","0.0423","0.0432","","","","","","1.033","","","","has coordinates,has disorder","240541","2020-10-21","18:00:00",""
"4129894","13.657","0.0012","18.8676","0.0018","45.656","0.004","90","","90","","90","","11764.4","1.8","298","2","298","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C201 H280 F24 Mn4 N16 O27 S8 -","- C201 H280 F24 Mn4 N16 O27 S8 -","- C402 H560 F48 Mn8 N32 O54 S16 -","2","0.5","","Miao, Chengxia; Wang, Bin; Wang, Yong; Xia, Chungu; Lee, Yong-Min; Nam, Wonwoo; Sun, Wei","Proton-Promoted and Anion-Enhanced Epoxidation of Olefins by Hydrogen Peroxide in the Presence of Nonheme Manganese Catalysts.","Journal of the American Chemical Society","2016","138","3","936","943","10.1021/jacs.5b11579","","","0.71073","MoKα","","0.1487","0.0946","","","0.2337","0.2578","","","","","","1.007","","","","has coordinates,has disorder","240542","2020-10-21","18:00:00",""
"4129895","18.1548","0.0011","10.5369","0.0007","9.3957","0.0005","90","","90","","90","","1797.35","0.19","147","2","147","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C16 H2 Br2 F10 Te -","- C16 H2 Br2 F10 Te -","- C64 H8 Br8 F40 Te4 -","4","0.5","","Carrera, Elisa I.; Lanterna, Anabel E.; Lough, Alan J.; Scaiano, Juan C.; Seferos, Dwight S.","A Mechanistic Study of Halogen Addition and Photoelimination from π-Conjugated Tellurophenes.","Journal of the American Chemical Society","2016","138","8","2678","2689","10.1021/jacs.5b11649","","","0.71073","MoKα","","0.0315","0.021","","","0.0422","0.0452","","","","","","1.027","","","","has coordinates","240543","2020-10-21","18:00:00",""
"4129896","25.7637","0.0016","9.6107","0.0006","7.6918","0.0005","90","","94.119","0.002","90","","1899.6","0.2","147","2","147","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C18 H10 Br2 F6 Te -","- C18 H10 Br2 F6 Te -","- C72 H40 Br8 F24 Te4 -","4","0.5","","Carrera, Elisa I.; Lanterna, Anabel E.; Lough, Alan J.; Scaiano, Juan C.; Seferos, Dwight S.","A Mechanistic Study of Halogen Addition and Photoelimination from π-Conjugated Tellurophenes.","Journal of the American Chemical Society","2016","138","8","2678","2689","10.1021/jacs.5b11649","","","0.71073","MoKα","","0.0279","0.0208","","","0.0467","0.0502","","","","","","1.059","","","","has coordinates","240544","2020-10-21","18:00:00",""
"4129897","34.193","0.003","10.0162","0.0008","6.9968","0.0006","90","","100.07","0.003","90","","2359.4","0.3","147","2","147","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C24 H28 Br2 O2 Te -","- C24 H28 Br2 O2 Te -","- C96 H112 Br8 O8 Te4 -","4","0.5","","Carrera, Elisa I.; Lanterna, Anabel E.; Lough, Alan J.; Scaiano, Juan C.; Seferos, Dwight S.","A Mechanistic Study of Halogen Addition and Photoelimination from π-Conjugated Tellurophenes.","Journal of the American Chemical Society","2016","138","8","2678","2689","10.1021/jacs.5b11649","","","0.71073","MoKα","","0.033","0.022","","","0.0439","0.0471","","","","","","1.038","","","","has coordinates","240545","2020-10-21","18:00:00",""
"4129898","33.066","0.003","9.7784","0.0009","7.1871","0.0007","90","","90.781","0.003","90","","2323.6","0.4","147","2","147","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C24 H28 Br2 Te -","- C24 H28 Br2 Te -","- C96 H112 Br8 Te4 -","4","0.5","","Carrera, Elisa I.; Lanterna, Anabel E.; Lough, Alan J.; Scaiano, Juan C.; Seferos, Dwight S.","A Mechanistic Study of Halogen Addition and Photoelimination from π-Conjugated Tellurophenes.","Journal of the American Chemical Society","2016","138","8","2678","2689","10.1021/jacs.5b11649","","","0.71073","MoKα","","0.0271","0.0193","","","0.0543","0.0586","","","","","","0.974","","","","has coordinates","240546","2020-10-21","18:00:00",""
"4129899","12.1826","0.001","9.1323","0.0007","11.2711","0.001","90","","114.959","0.005","90","","1136.86","0.17","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C15 H14 O -","- C15 H14 O -","- C60 H56 O4 -","4","1","","Ayitou, Anoklase J.-L.; Flynn, Kristen; Jockusch, Steffen; Khan, Saeed I.; Garcia-Garibay, Miguel A","Structure-Kinetics Correlations in Isostructural Crystals of α-(ortho-Tolyl)-acetophenones: Pinning Down Electronic Effects Using Laser-Flash Photolysis in the Solid State.","Journal of the American Chemical Society","2016","138","8","2644","2648","10.1021/jacs.5b11657","","","1.54178","CuKα","","0.1133","0.0584","","","0.132","0.1563","","","","","","1.052","","","","has coordinates","240547","2020-10-21","18:00:00",""
"4129900","12.8879","0.0011","8.7706","0.0007","11.5969","0.001","90","","109.124","0.006","90","","1238.51","0.19","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C16 H16 O -","- C16 H16 O -","- C64 H64 O4 -","4","1","","Ayitou, Anoklase J.-L.; Flynn, Kristen; Jockusch, Steffen; Khan, Saeed I.; Garcia-Garibay, Miguel A","Structure-Kinetics Correlations in Isostructural Crystals of α-(ortho-Tolyl)-acetophenones: Pinning Down Electronic Effects Using Laser-Flash Photolysis in the Solid State.","Journal of the American Chemical Society","2016","138","8","2644","2648","10.1021/jacs.5b11657","","","1.54178","CuKα","","0.0678","0.042","","","0.1011","0.132","","","","","","1.066","","","","has coordinates","240549","2020-10-21","18:00:00",""
"4129901","8.2499","0.0004","11.6336","0.0006","8.1398","0.0004","90","","90","","90","","781.23","0.07","100","2","100","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","Poly[methylammonium tris(mu!2$-formato-k2O:O')cobalt(II)]","","- C4 H9 Co N O6 -","- C4 H9 Co N O6 -","- C16 H36 Co4 N4 O24 -","4","0.5","","Gómez-Aguirre, L Claudia; Pato-Doldán, Breogán; Mira, J.; Castro-García, Socorro; Señarís-Rodríguez, María Antonia; Sánchez-Andújar, Manuel; Singleton, John; Zapf, Vivien S.","Magnetic Ordering-Induced Multiferroic Behavior in [CH3NH3][Co(HCOO)3] Metal-Organic Framework.","Journal of the American Chemical Society","2016","138","4","1122","1125","10.1021/jacs.5b11688","","","0.71073","MoKα","","0.0465","0.0374","","","0.0977","0.1037","","","","","","1.018","","","","has coordinates","240550","2020-10-21","18:00:00",""
"4129902","11.275","0.005","10.061","0.004","31.113","0.013","90","","99.95","0.005","90","","3476","3","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C37 H48 B Cl Ir P2 -","- C37 H48 B Cl Ir P2 -","- C148 H192 B4 Cl4 Ir4 P8 -","4","1","","Shih, Wei-Chun; Gu, Weixing; MacInnis, Morgan C.; Timpa, Samuel D.; Bhuvanesh, Nattamai; Zhou, Jia; Ozerov, Oleg V.","Facile Insertion of Rh and Ir into a Boron-Phenyl Bond, Leading to Boryl/Bis(phosphine) PBP Pincer Complexes.","Journal of the American Chemical Society","2016","138","7","2086","2089","10.1021/jacs.5b11706","","","0.71073","MoKα","","0.029","0.0245","","","0.0548","0.0564","","","","","","1.049","","","","has coordinates","240551","2020-10-21","18:00:00",""
"4129903","15.42","0.003","22.574","0.004","15.032","0.003","90","","102.593","0.002","90","","5106.6","1.7","110","2","110","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C24 H37 B Cl Ir P2 -","- C24 H37 B Cl Ir P2 -","- C192 H296 B8 Cl8 Ir8 P16 -","8","2","","Shih, Wei-Chun; Gu, Weixing; MacInnis, Morgan C.; Timpa, Samuel D.; Bhuvanesh, Nattamai; Zhou, Jia; Ozerov, Oleg V.","Facile Insertion of Rh and Ir into a Boron-Phenyl Bond, Leading to Boryl/Bis(phosphine) PBP Pincer Complexes.","Journal of the American Chemical Society","2016","138","7","2086","2089","10.1021/jacs.5b11706","","","0.71073","MoKα","","0.0373","0.027","","","0.0565","0.0599","","","","","","1.01","","","","has coordinates","252331","2020-10-21","18:00:00",""
"4129904","15.578","0.011","22.693","0.015","15.102","0.01","90","","102.626","0.008","90","","5210","6","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C24 H37 B Cl P2 Rh -","- C24 H37 B Cl P2 Rh -","- C192 H296 B8 Cl8 P16 Rh8 -","8","2","","Shih, Wei-Chun; Gu, Weixing; MacInnis, Morgan C.; Timpa, Samuel D.; Bhuvanesh, Nattamai; Zhou, Jia; Ozerov, Oleg V.","Facile Insertion of Rh and Ir into a Boron-Phenyl Bond, Leading to Boryl/Bis(phosphine) PBP Pincer Complexes.","Journal of the American Chemical Society","2016","138","7","2086","2089","10.1021/jacs.5b11706","","","0.71073","MoKα","","0.0505","0.038","","","0.0919","0.099","","","","","","1.025","","","","has coordinates","252331","2020-10-21","18:00:00",""
"4129905","15.462","0.009","15.664","0.009","21.667","0.012","90","","90.466","0.006","90","","5248","5","110","2","110","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C24 H36 B Cl Ir P2 -","- C24 H36 B Cl Ir P2 -","- C192 H288 B8 Cl8 Ir8 P16 -","8","2","","Shih, Wei-Chun; Gu, Weixing; MacInnis, Morgan C.; Timpa, Samuel D.; Bhuvanesh, Nattamai; Zhou, Jia; Ozerov, Oleg V.","Facile Insertion of Rh and Ir into a Boron-Phenyl Bond, Leading to Boryl/Bis(phosphine) PBP Pincer Complexes.","Journal of the American Chemical Society","2016","138","7","2086","2089","10.1021/jacs.5b11706","","","0.71073","MoKα","","0.0295","0.026","","","0.0615","0.0632","","","","","","1.064","","","","has coordinates","240551","2020-10-21","18:00:00",""
"4129906","9.3083","0.0019","16.768","0.003","17.565","0.004","98.45","0.002","100.388","0.002","104.851","0.002","2552.2","0.9","110.15","","110.15","","","","","","","","","6","P -1","-P 1","2","","","","- C24 H36 B Cl2 Ir P2 -","- C24 H36 B Cl2 Ir P2 -","- C96 H144 B4 Cl8 Ir4 P8 -","4","2","","Shih, Wei-Chun; Gu, Weixing; MacInnis, Morgan C.; Timpa, Samuel D.; Bhuvanesh, Nattamai; Zhou, Jia; Ozerov, Oleg V.","Facile Insertion of Rh and Ir into a Boron-Phenyl Bond, Leading to Boryl/Bis(phosphine) PBP Pincer Complexes.","Journal of the American Chemical Society","2016","138","7","2086","2089","10.1021/jacs.5b11706","","","0.71073","MoKα","","0.0495","0.0375","","","0.0819","0.0881","","","","","","1.076","","","","has coordinates","240551","2020-10-21","18:00:00",""
"4129907","9.319","0.0019","16.684","0.003","17.57","0.004","98.321","0.002","100.429","0.002","104.786","0.002","2544.8","0.9","110.15","","110.15","","","","","","","","","6","P -1","-P 1","2","","","","- C24 H36 B Cl2 P2 Rh -","- C24 H36 B Cl2 P2 Rh -","- C96 H144 B4 Cl8 P8 Rh4 -","4","2","","Shih, Wei-Chun; Gu, Weixing; MacInnis, Morgan C.; Timpa, Samuel D.; Bhuvanesh, Nattamai; Zhou, Jia; Ozerov, Oleg V.","Facile Insertion of Rh and Ir into a Boron-Phenyl Bond, Leading to Boryl/Bis(phosphine) PBP Pincer Complexes.","Journal of the American Chemical Society","2016","138","7","2086","2089","10.1021/jacs.5b11706","","","0.71073","MoKα","","0.0554","0.0446","","","0.1031","0.1107","","","","","","1.048","","","","has coordinates","240551","2020-10-21","18:00:00",""
"4129908","5.9734","0.0004","31.405","0.002","8.2426","0.0005","90","","104.61","0.003","90","","1496.27","0.17","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C14 H19 N O4 S -","- C14 H19 N O4 S -","- C56 H76 N4 O16 S4 -","4","1","","Liniger, Marc; VanderVelde, David G.; Takase, Michael K.; Shahgholi, Mona; Stoltz, Brian M.","Total Synthesis and Characterization of 7-Hypoquinuclidonium Tetrafluoroborate and 7-Hypoquinuclidone BF3 Complex.","Journal of the American Chemical Society","2016","138","3","969","974","10.1021/jacs.5b11750","","","0.71073","MoKα","","0.0621","0.0442","","","0.1024","0.1096","","","","","","1.033","","","","has coordinates","240552","2020-10-21","18:00:00",""
"4129909","5.4701","0.0002","7.6337","0.0003","11.2184","0.0004","103.512","0.002","91.167","0.002","98.484","0.002","449.76","0.03","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C6 H12 B F4 N O2 -","- C6 H12 B F4 N O2 -","- C12 H24 B2 F8 N2 O4 -","2","1","","Liniger, Marc; VanderVelde, David G.; Takase, Michael K.; Shahgholi, Mona; Stoltz, Brian M.","Total Synthesis and Characterization of 7-Hypoquinuclidonium Tetrafluoroborate and 7-Hypoquinuclidone BF3 Complex.","Journal of the American Chemical Society","2016","138","3","969","974","10.1021/jacs.5b11750","","","1.54178","CuKα","","0.0451","0.0378","","","0.0918","0.0965","","","","","","1.043","","","","has coordinates","240553","2020-10-21","18:00:00",""
"4129910","11.4731","0.0004","8.214","0.0002","7.6132","0.0003","90","","90","","90","","717.47","0.04","100","2","100","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C6 H9 B F3 N O -","- C6 H9 B F3 N O -","- C24 H36 B4 F12 N4 O4 -","4","0.5","","Liniger, Marc; VanderVelde, David G.; Takase, Michael K.; Shahgholi, Mona; Stoltz, Brian M.","Total Synthesis and Characterization of 7-Hypoquinuclidonium Tetrafluoroborate and 7-Hypoquinuclidone BF3 Complex.","Journal of the American Chemical Society","2016","138","3","969","974","10.1021/jacs.5b11750","","","0.71073","MoKα","","0.0404","0.0317","","","0.0824","0.0863","","","","","","1.038","","","","has coordinates","240554","2020-10-21","18:00:00",""
"4129911","17.385","0.005","17.425","0.006","17.479","0.006","60.384","0.003","60.308","0.003","60.168","0.003","3768","2","100","","100","","","","","","","","","6","P 1","P 1","1","","","","- C144 H174 F15.01 N24 O3 S2.5 -","- C144 H168 F15.012 N24 O3 S2.502 -","- C144 H168 F15.012 N24 O3 S2.502 -","1","1","","Hasell, Tom; Miklitz, Marcin; Stephenson, Andrew; Little, Marc A.; Chong, Samantha Y.; Clowes, Rob; Chen, Linjiang; Holden, Daniel; Tribello, Gareth A.; Jelfs, Kim E.; Cooper, Andrew I.","Porous Organic Cages for Sulfur Hexafluoride Separation.","Journal of the American Chemical Society","2016","138","5","1653","1659","10.1021/jacs.5b11797","","x-ray","0.6889","","","0.1091","0.0894","","","0.2378","0.2549","","","","","","1.039","","","","has coordinates,has disorder","240555","2020-10-21","18:00:00",""
"4129912","18.3781","0.0016","20.5298","0.0019","25.009","0.002","71.612","0.004","71.701","0.004","75.717","0.004","8386.3","1.3","100","","100","","","","","","","","","4","P -1","-P 1","2","nonamer1","","","- C180.24 H176.19 N14 O7 -","- C180.26 H176.224 N14 O7 -","- C360.52 H352.448 N28 O14 -","2","1","","Jeon, Hae-Geun; Jung, Jin Young; Kang, Philjae; Choi, Moon-Gun; Jeong, Kyu-Sung","Folding-Generated Molecular Tubes Containing One-Dimensional Water Chains.","Journal of the American Chemical Society","2016","138","1","92","95","10.1021/jacs.5b11808","","","0.71073","MoKα","","0.1142","0.0625","","","0.1595","0.1769","","","","","","1.015","","","","has coordinates,has disorder","240556","2020-10-21","18:00:00",""
"4129913","24.337","0.005","10.843","0.002","42.89","0.009","90","","93.79","0.03","90","","11293","4","100","","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C141 H133 N11 O5 -","- C141 H133 N11 O5 -","- C564 H532 N44 O20 -","4","1","","Jeon, Hae-Geun; Jung, Jin Young; Kang, Philjae; Choi, Moon-Gun; Jeong, Kyu-Sung","Folding-Generated Molecular Tubes Containing One-Dimensional Water Chains.","Journal of the American Chemical Society","2016","138","1","92","95","10.1021/jacs.5b11808","","","0.7","synchrotron","","0.1335","0.0755","","","0.2122","0.2463","","","","","","1.049","","","","has coordinates,has disorder","240557","2020-10-21","18:00:00",""
"4129914","28.5785","0.0005","18.7796","0.0004","32.1781","0.0006","90","","114.4","0.008","90","","15727.3","1.1","130","2","130","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C84 H60 Fe9 N48 O36 W6 -","- C84 H60 Fe9 N48 O36 W6 -","- C336 H240 Fe36 N192 O144 W24 -","4","0.5","","Chorazy, Szymon; Stanek, Jan J.; Nogaś, Wojciech; Majcher, Anna M.; Rams, Michał; Kozieł, Marcin; Juszyńska-Gałązka, Ewa; Nakabayashi, Koji; Ohkoshi, Shin-ichi; Sieklucka, Barbara; Podgajny, Robert","Tuning of Charge Transfer Assisted Phase Transition and Slow Magnetic Relaxation Functionalities in {Fe(9-x)Co(x)[W(CN)8]6} (x = 0-9) Molecular Solid Solution.","Journal of the American Chemical Society","2016","138","5","1635","1646","10.1021/jacs.5b11924","","x-ray","0.71075","MoKα","","0.114","0.0817","","","0.1231","0.1316","","","","","","1.188","","","","has coordinates,has disorder","240558","2020-10-21","18:00:00",""
"4129915","28.6522","0.0013","18.7712","0.0007","32.1509","0.0015","90","","114.608","0.001","90","","15721.4","1.2","130","2","130","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C84 H60 Co Fe8 N48 O36 W6 -","- C84 H60 Co Fe8 N48 O36 W6 -","- C336 H240 Co4 Fe32 N192 O144 W24 -","4","0.5","","Chorazy, Szymon; Stanek, Jan J.; Nogaś, Wojciech; Majcher, Anna M.; Rams, Michał; Kozieł, Marcin; Juszyńska-Gałązka, Ewa; Nakabayashi, Koji; Ohkoshi, Shin-ichi; Sieklucka, Barbara; Podgajny, Robert","Tuning of Charge Transfer Assisted Phase Transition and Slow Magnetic Relaxation Functionalities in {Fe(9-x)Co(x)[W(CN)8]6} (x = 0-9) Molecular Solid Solution.","Journal of the American Chemical Society","2016","138","5","1635","1646","10.1021/jacs.5b11924","","x-ray","0.71075","MoKα","","0.08","0.0594","","","0.1318","0.1426","","","","","","1.043","","","","has coordinates,has disorder","240558","2020-10-21","18:00:00",""
"4129916","28.5338","0.0012","18.7","0.0008","32.0907","0.0013","90","","114.289","0.001","90","","15607.3","1.1","130","2","130","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C84 H60 Co2 Fe7 N48 O36 W6 -","- C84 H60 Co2 Fe7 N48 O36 W6 -","- C336 H240 Co8 Fe28 N192 O144 W24 -","4","0.5","","Chorazy, Szymon; Stanek, Jan J.; Nogaś, Wojciech; Majcher, Anna M.; Rams, Michał; Kozieł, Marcin; Juszyńska-Gałązka, Ewa; Nakabayashi, Koji; Ohkoshi, Shin-ichi; Sieklucka, Barbara; Podgajny, Robert","Tuning of Charge Transfer Assisted Phase Transition and Slow Magnetic Relaxation Functionalities in {Fe(9-x)Co(x)[W(CN)8]6} (x = 0-9) Molecular Solid Solution.","Journal of the American Chemical Society","2016","138","5","1635","1646","10.1021/jacs.5b11924","","x-ray","0.71075","MoKα","","0.0538","0.0421","","","0.1063","0.115","","","","","","1.061","","","","has coordinates,has disorder","240558","2020-10-21","18:00:00",""
"4129917","28.5736","0.0005","18.8126","0.0004","32.1223","0.0006","90","","114.311","0.001","90","","15736","0.5","130","2","130","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C84 H60 Co3 Fe6 N48 O36 W6 -","- C84 H60 Co3 Fe6 N48 O36 W6 -","- C336 H240 Co12 Fe24 N192 O144 W24 -","4","0.5","","Chorazy, Szymon; Stanek, Jan J.; Nogaś, Wojciech; Majcher, Anna M.; Rams, Michał; Kozieł, Marcin; Juszyńska-Gałązka, Ewa; Nakabayashi, Koji; Ohkoshi, Shin-ichi; Sieklucka, Barbara; Podgajny, Robert","Tuning of Charge Transfer Assisted Phase Transition and Slow Magnetic Relaxation Functionalities in {Fe(9-x)Co(x)[W(CN)8]6} (x = 0-9) Molecular Solid Solution.","Journal of the American Chemical Society","2016","138","5","1635","1646","10.1021/jacs.5b11924","","x-ray","0.71075","MoKα","","0.07","0.0493","","","0.1159","0.1321","","","","","","1.078","","","","has coordinates,has disorder","240558","2020-10-21","18:00:00",""
"4129918","28.599","0.002","18.669","0.0015","32.103","0.002","90","","114.398","0.001","90","","15609.6","1.9","130","2","130","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C84 H60 Co4 Fe5 N48 O36 W6 -","- C84 H60 Co4 Fe5 N48 O36 W6 -","- C336 H240 Co16 Fe20 N192 O144 W24 -","4","0.5","","Chorazy, Szymon; Stanek, Jan J.; Nogaś, Wojciech; Majcher, Anna M.; Rams, Michał; Kozieł, Marcin; Juszyńska-Gałązka, Ewa; Nakabayashi, Koji; Ohkoshi, Shin-ichi; Sieklucka, Barbara; Podgajny, Robert","Tuning of Charge Transfer Assisted Phase Transition and Slow Magnetic Relaxation Functionalities in {Fe(9-x)Co(x)[W(CN)8]6} (x = 0-9) Molecular Solid Solution.","Journal of the American Chemical Society","2016","138","5","1635","1646","10.1021/jacs.5b11924","","x-ray","0.71075","MoKα","","0.1846","0.0974","","","0.1809","0.2174","","","","","","1.058","","","","has coordinates,has disorder","240558","2020-10-21","18:00:00",""
"4129919","28.7689","0.001","18.6633","0.0009","32.2252","0.0013","90","","114.668","0.001","90","","15723.4","1.1","130","2","130","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C84 H60 Co5 Fe4 N48 O36 W6 -","- C84 H60 Co5 Fe4 N48 O36 W6 -","- C336 H240 Co20 Fe16 N192 O144 W24 -","4","0.5","","Chorazy, Szymon; Stanek, Jan J.; Nogaś, Wojciech; Majcher, Anna M.; Rams, Michał; Kozieł, Marcin; Juszyńska-Gałązka, Ewa; Nakabayashi, Koji; Ohkoshi, Shin-ichi; Sieklucka, Barbara; Podgajny, Robert","Tuning of Charge Transfer Assisted Phase Transition and Slow Magnetic Relaxation Functionalities in {Fe(9-x)Co(x)[W(CN)8]6} (x = 0-9) Molecular Solid Solution.","Journal of the American Chemical Society","2016","138","5","1635","1646","10.1021/jacs.5b11924","","x-ray","0.71075","MoKα","","0.1228","0.0803","","","0.1477","0.1672","","","","","","1.069","","","","has coordinates,has disorder","240558","2020-10-21","18:00:00",""
"4129920","28.8284","0.0014","18.8799","0.0011","32.304","0.0016","90","","114.294","0.001","90","","16025.4","1.5","130","2","130","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C84 H60 Co6 Fe3 N48 O36 W6 -","- C84 H60 Co6 Fe3 N48 O36 W6 -","- C336 H240 Co24 Fe12 N192 O144 W24 -","4","0.5","","Chorazy, Szymon; Stanek, Jan J.; Nogaś, Wojciech; Majcher, Anna M.; Rams, Michał; Kozieł, Marcin; Juszyńska-Gałązka, Ewa; Nakabayashi, Koji; Ohkoshi, Shin-ichi; Sieklucka, Barbara; Podgajny, Robert","Tuning of Charge Transfer Assisted Phase Transition and Slow Magnetic Relaxation Functionalities in {Fe(9-x)Co(x)[W(CN)8]6} (x = 0-9) Molecular Solid Solution.","Journal of the American Chemical Society","2016","138","5","1635","1646","10.1021/jacs.5b11924","","x-ray","0.71075","MoKα","","0.0768","0.0548","","","0.13","0.1551","","","","","","1.084","","","","has coordinates,has disorder","240558","2020-10-21","18:00:00",""
"4129921","29.0418","0.0013","18.7104","0.001","32.3007","0.0015","90","","114.66","0.001","90","","15951","1.3","130","2","130","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C84 H60 Co7 Fe2 N48 O36 W6 -","- C84 H60 Co7 Fe2 N48 O36 W6 -","- C336 H240 Co28 Fe8 N192 O144 W24 -","4","0.5","","Chorazy, Szymon; Stanek, Jan J.; Nogaś, Wojciech; Majcher, Anna M.; Rams, Michał; Kozieł, Marcin; Juszyńska-Gałązka, Ewa; Nakabayashi, Koji; Ohkoshi, Shin-ichi; Sieklucka, Barbara; Podgajny, Robert","Tuning of Charge Transfer Assisted Phase Transition and Slow Magnetic Relaxation Functionalities in {Fe(9-x)Co(x)[W(CN)8]6} (x = 0-9) Molecular Solid Solution.","Journal of the American Chemical Society","2016","138","5","1635","1646","10.1021/jacs.5b11924","","x-ray","0.71075","MoKα","","0.1666","0.1127","","","0.2097","0.2388","","","","","","1.056","","","","has coordinates,has disorder","240558","2020-10-21","18:00:00",""
"4129922","28.7697","0.0009","19.2395","0.0007","32.365","0.0009","90","","113.535","0.001","90","","16424.3","0.9","130","2","130","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C84 H60 Co8 Fe N48 O36 W6 -","- C84 H60 Co8 Fe N48 O36 W6 -","- C336 H240 Co32 Fe4 N192 O144 W24 -","4","0.5","","Chorazy, Szymon; Stanek, Jan J.; Nogaś, Wojciech; Majcher, Anna M.; Rams, Michał; Kozieł, Marcin; Juszyńska-Gałązka, Ewa; Nakabayashi, Koji; Ohkoshi, Shin-ichi; Sieklucka, Barbara; Podgajny, Robert","Tuning of Charge Transfer Assisted Phase Transition and Slow Magnetic Relaxation Functionalities in {Fe(9-x)Co(x)[W(CN)8]6} (x = 0-9) Molecular Solid Solution.","Journal of the American Chemical Society","2016","138","5","1635","1646","10.1021/jacs.5b11924","","x-ray","0.71075","MoKα","","0.106","0.0656","","","0.1628","0.2018","","","","","","1.046","","","","has coordinates,has disorder","240558","2020-10-21","18:00:00",""
"4129923","28.6286","0.0006","19.0072","0.0004","32.4063","0.0007","90","","114.321","0.008","90","","16068.9","1.2","250","2","250","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C84 H60 Fe9 N48 O36 W6 -","- C84 H60 Fe9 N48 O36 W6 -","- C336 H240 Fe36 N192 O144 W24 -","4","0.5","","Chorazy, Szymon; Stanek, Jan J.; Nogaś, Wojciech; Majcher, Anna M.; Rams, Michał; Kozieł, Marcin; Juszyńska-Gałązka, Ewa; Nakabayashi, Koji; Ohkoshi, Shin-ichi; Sieklucka, Barbara; Podgajny, Robert","Tuning of Charge Transfer Assisted Phase Transition and Slow Magnetic Relaxation Functionalities in {Fe(9-x)Co(x)[W(CN)8]6} (x = 0-9) Molecular Solid Solution.","Journal of the American Chemical Society","2016","138","5","1635","1646","10.1021/jacs.5b11924","","x-ray","0.71075","MoKα","","0.105","0.0731","","","0.1065","0.1143","","","","","","1.193","","","","has coordinates,has disorder","240559","2020-10-21","18:00:00",""
"4129924","28.9785","0.0009","19.3018","0.0008","32.6525","0.0012","90","","113.947","0.001","90","","16691.6","1.1","250","2","250","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C84 H60 Co Fe8 N48 O36 W6 -","- C84 H60 Co Fe8 N48 O36 W6 -","- C336 H240 Co4 Fe32 N192 O144 W24 -","4","0.5","","Chorazy, Szymon; Stanek, Jan J.; Nogaś, Wojciech; Majcher, Anna M.; Rams, Michał; Kozieł, Marcin; Juszyńska-Gałązka, Ewa; Nakabayashi, Koji; Ohkoshi, Shin-ichi; Sieklucka, Barbara; Podgajny, Robert","Tuning of Charge Transfer Assisted Phase Transition and Slow Magnetic Relaxation Functionalities in {Fe(9-x)Co(x)[W(CN)8]6} (x = 0-9) Molecular Solid Solution.","Journal of the American Chemical Society","2016","138","5","1635","1646","10.1021/jacs.5b11924","","x-ray","0.71075","MoKα","","0.105","0.0871","","","0.2002","0.219","","","","","","1.088","","","","has coordinates,has disorder","240559","2020-10-21","18:00:00",""
"4129925","29.053","0.005","19.168","0.004","32.664","0.005","90","","114.441","0.003","90","","16560","5","250","2","250","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C84 H60 Co2 Fe7 N48 O36 W6 -","- C84 H60 Co2 Fe7 N48 O36 W6 -","- C336 H240 Co8 Fe28 N192 O144 W24 -","4","0.5","","Chorazy, Szymon; Stanek, Jan J.; Nogaś, Wojciech; Majcher, Anna M.; Rams, Michał; Kozieł, Marcin; Juszyńska-Gałązka, Ewa; Nakabayashi, Koji; Ohkoshi, Shin-ichi; Sieklucka, Barbara; Podgajny, Robert","Tuning of Charge Transfer Assisted Phase Transition and Slow Magnetic Relaxation Functionalities in {Fe(9-x)Co(x)[W(CN)8]6} (x = 0-9) Molecular Solid Solution.","Journal of the American Chemical Society","2016","138","5","1635","1646","10.1021/jacs.5b11924","","x-ray","0.71075","MoKα","","0.1318","0.0796","","","0.1758","0.2182","","","","","","1.091","","","","has coordinates,has disorder","240559","2020-10-21","18:00:00",""
"4129926","28.9856","0.0005","19.2823","0.0003","32.5854","0.0006","90","","114.156","0.001","90","","16617.5","0.5","250","2","250","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C84 H60 Co3 Fe6 N48 O36 W6 -","- C84 H60 Co3 Fe6 N48 O36 W6 -","- C336 H240 Co12 Fe24 N192 O144 W24 -","4","0.5","","Chorazy, Szymon; Stanek, Jan J.; Nogaś, Wojciech; Majcher, Anna M.; Rams, Michał; Kozieł, Marcin; Juszyńska-Gałązka, Ewa; Nakabayashi, Koji; Ohkoshi, Shin-ichi; Sieklucka, Barbara; Podgajny, Robert","Tuning of Charge Transfer Assisted Phase Transition and Slow Magnetic Relaxation Functionalities in {Fe(9-x)Co(x)[W(CN)8]6} (x = 0-9) Molecular Solid Solution.","Journal of the American Chemical Society","2016","138","5","1635","1646","10.1021/jacs.5b11924","","x-ray","0.71075","MoKα","","0.052","0.0395","","","0.089","0.0949","","","","","","1.046","","","","has coordinates,has disorder","240559","2020-10-21","18:00:00",""
"4129927","28.9963","0.0009","19.2192","0.0007","32.5401","0.0009","90","","114.215","0.001","90","","16538.6","0.9","250","2","250","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C84 H60 Co4 Fe5 N48 O36 W6 -","- C84 H60 Co4 Fe5 N48 O36 W6 -","- C336 H240 Co16 Fe20 N192 O144 W24 -","4","0.5","","Chorazy, Szymon; Stanek, Jan J.; Nogaś, Wojciech; Majcher, Anna M.; Rams, Michał; Kozieł, Marcin; Juszyńska-Gałązka, Ewa; Nakabayashi, Koji; Ohkoshi, Shin-ichi; Sieklucka, Barbara; Podgajny, Robert","Tuning of Charge Transfer Assisted Phase Transition and Slow Magnetic Relaxation Functionalities in {Fe(9-x)Co(x)[W(CN)8]6} (x = 0-9) Molecular Solid Solution.","Journal of the American Chemical Society","2016","138","5","1635","1646","10.1021/jacs.5b11924","","x-ray","0.71075","MoKα","","0.1334","0.0804","","","0.1383","0.1579","","","","","","1.073","","","","has coordinates,has disorder","240559","2020-10-21","18:00:00",""
"4129928","29.0583","0.0005","19.2371","0.0005","32.5858","0.0006","90","","114.181","0.001","90","","16617.1","0.6","250","2","250","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C84 H60 Co5 Fe4 N48 O36 W6 -","- C84 H60 Co5 Fe4 N48 O36 W6 -","- C336 H240 Co20 Fe16 N192 O144 W24 -","4","0.5","","Chorazy, Szymon; Stanek, Jan J.; Nogaś, Wojciech; Majcher, Anna M.; Rams, Michał; Kozieł, Marcin; Juszyńska-Gałązka, Ewa; Nakabayashi, Koji; Ohkoshi, Shin-ichi; Sieklucka, Barbara; Podgajny, Robert","Tuning of Charge Transfer Assisted Phase Transition and Slow Magnetic Relaxation Functionalities in {Fe(9-x)Co(x)[W(CN)8]6} (x = 0-9) Molecular Solid Solution.","Journal of the American Chemical Society","2016","138","5","1635","1646","10.1021/jacs.5b11924","","x-ray","0.71075","MoKα","","0.076","0.0544","","","0.131","0.1655","","","","","","1.118","","","","has coordinates,has disorder","240559","2020-10-21","18:00:00",""
"4129929","28.9608","0.0006","19.3329","0.0005","32.6113","0.0006","90","","114.018","0.001","90","","16678","0.6","250","2","250","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C84 H60 Co6 Fe3 N48 O36 W6 -","- C84 H60 Co6 Fe3 N48 O36 W6 -","- C336 H240 Co24 Fe12 N192 O144 W24 -","4","0.5","","Chorazy, Szymon; Stanek, Jan J.; Nogaś, Wojciech; Majcher, Anna M.; Rams, Michał; Kozieł, Marcin; Juszyńska-Gałązka, Ewa; Nakabayashi, Koji; Ohkoshi, Shin-ichi; Sieklucka, Barbara; Podgajny, Robert","Tuning of Charge Transfer Assisted Phase Transition and Slow Magnetic Relaxation Functionalities in {Fe(9-x)Co(x)[W(CN)8]6} (x = 0-9) Molecular Solid Solution.","Journal of the American Chemical Society","2016","138","5","1635","1646","10.1021/jacs.5b11924","","x-ray","0.71075","MoKα","","0.0778","0.0587","","","0.1686","0.2267","","","","","","1.18","","","","has coordinates,has disorder","240559","2020-10-21","18:00:00",""
"4129930","29.0629","0.0006","19.1056","0.0005","32.5013","0.0007","90","","114.481","0.001","90","","16424.4","0.7","250","2","250","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C84 H60 Co7 Fe2 N48 O36 W6 -","- C84 H60 Co7 Fe2 N48 O36 W6 -","- C336 H240 Co28 Fe8 N192 O144 W24 -","4","0.5","","Chorazy, Szymon; Stanek, Jan J.; Nogaś, Wojciech; Majcher, Anna M.; Rams, Michał; Kozieł, Marcin; Juszyńska-Gałązka, Ewa; Nakabayashi, Koji; Ohkoshi, Shin-ichi; Sieklucka, Barbara; Podgajny, Robert","Tuning of Charge Transfer Assisted Phase Transition and Slow Magnetic Relaxation Functionalities in {Fe(9-x)Co(x)[W(CN)8]6} (x = 0-9) Molecular Solid Solution.","Journal of the American Chemical Society","2016","138","5","1635","1646","10.1021/jacs.5b11924","","x-ray","0.71075","MoKα","","0.0628","0.042","","","0.0946","0.106","","","","","","1.058","","","","has coordinates,has disorder","240559","2020-10-21","18:00:00",""
"4129931","28.7934","0.0007","19.4036","0.0005","32.6008","0.0007","90","","113.61","0.001","90","","16689.3","0.7","250","2","250","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C84 H60 Co8 Fe N48 O36 W6 -","- C84 H60 Co8 Fe N48 O36 W6 -","- C336 H240 Co32 Fe4 N192 O144 W24 -","4","0.5","","Chorazy, Szymon; Stanek, Jan J.; Nogaś, Wojciech; Majcher, Anna M.; Rams, Michał; Kozieł, Marcin; Juszyńska-Gałązka, Ewa; Nakabayashi, Koji; Ohkoshi, Shin-ichi; Sieklucka, Barbara; Podgajny, Robert","Tuning of Charge Transfer Assisted Phase Transition and Slow Magnetic Relaxation Functionalities in {Fe(9-x)Co(x)[W(CN)8]6} (x = 0-9) Molecular Solid Solution.","Journal of the American Chemical Society","2016","138","5","1635","1646","10.1021/jacs.5b11924","","x-ray","0.71075","MoKα","","0.1012","0.0697","","","0.1879","0.2547","","","","","","1.16","","","","has coordinates,has disorder","240559","2020-10-21","18:00:00",""
"4129932","15.9443","0.0002","19.3479","0.0002","22.8682","0.0003","90","","91.2956","0.0005","90","","7052.78","0.15","90","","90","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C88 H108 Si2 -","- C88 H108 Si2 -","- C352 H432 Si8 -","4","1","","Kobayashi, Megumi; Hayakawa, Naoki; Matsuo, Tsukasa; Li, Baolin; Fukunaga, Takeo; Hashizume, Daisuke; Fueno, Hiroyuki; Tanaka, Kazuyoshi; Tamao, Kohei","(Z)-1,2-Di(1-pyrenyl)disilene: Synthesis, Structure, and Intramolecular Charge-Transfer Emission.","Journal of the American Chemical Society","2016","138","3","758","761","10.1021/jacs.5b11970","","","0.71073","MoKα","","0.0889","0.0506","","","0.1237","0.143","","","","","","1.023","","","","has coordinates,has disorder","240560","2020-10-21","18:00:00",""
"4129933","14.969","0.002","6.2857","0.0009","20.527","0.003","90","","104.684","0.003","90","","1868.3","0.5","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C21 H25 B O2 -","- C21 H25 B O2 -","- C84 H100 B4 O8 -","4","1","","Hu, Tian-Jiao; Zhang, Ge; Chen, Ya-Heng; Feng, Chen-Guo; Lin, Guo-Qiang","Borylation of Olefin C-H Bond via Aryl to Vinyl Palladium 1,4-Migration.","Journal of the American Chemical Society","2016","138","9","2897","2900","10.1021/jacs.5b11990","","","0.71073","MoKα","","0.0714","0.0491","","","0.1318","0.1466","","","","","","1.031","","","","has coordinates","240561","2020-10-21","18:00:00",""
"4129934","11.945","0.004","12.479","0.004","13.396","0.004","89.538","0.009","81.591","0.009","84.647","0.009","1966.7","1.1","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C47 H39 Cl3 O3 P2 Ru -","- C47 H39 Cl3 O3 P2 Ru -","- C94 H78 Cl6 O6 P4 Ru2 -","2","1","","Rohmann, Kai; Hölscher, Markus; Leitner, Walter","Can Contemporary Density Functional Theory Predict Energy Spans in Molecular Catalysis Accurately Enough To Be Applicable for in Silico Catalyst Design? A Computational/Experimental Case Study for the Ruthenium-Catalyzed Hydrogenation of Olefins.","Journal of the American Chemical Society","2016","138","1","433","443","10.1021/jacs.5b11997","","","0.71073","MoKα","","0.1217","0.0658","","","0.1294","0.1543","","","","","","1.002","","","","has coordinates","240562","2020-10-21","18:00:00",""
"4129935","12.699","0.002","35.158","0.006","11.0528","0.0019","90","","107.071","0.003","90","","4717.3","1.4","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C53 H69 Cl O3 P2 Ru -","- C53 H69 Cl O3 P2 Ru -","- C212 H276 Cl4 O12 P8 Ru4 -","4","1","","Rohmann, Kai; Hölscher, Markus; Leitner, Walter","Can Contemporary Density Functional Theory Predict Energy Spans in Molecular Catalysis Accurately Enough To Be Applicable for in Silico Catalyst Design? A Computational/Experimental Case Study for the Ruthenium-Catalyzed Hydrogenation of Olefins.","Journal of the American Chemical Society","2016","138","1","433","443","10.1021/jacs.5b11997","","","0.71073","MoKα","","0.0881","0.0721","","","0.1521","0.1596","","","","","","1.173","","","","has coordinates,has disorder","288505","2023-12-22","15:12:01",""
"4129936","8.851","0.0009","15.6741","0.0016","15.9474","0.0016","98.2007","0.0015","105.529","0.0015","93.3465","0.0016","2099","0.4","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C41.5 H51 Cl F3 Fe N7 O4 S -","- C41.5 H51 Cl F3 Fe N7 O4 S -","- C83 H102 Cl2 F6 Fe2 N14 O8 S2 -","2","1","","Abucayon, Erwin G.; Khade, Rahul L.; Powell, Douglas R.; Zhang, Yong; Richter-Addo, George B","Hydride Attack on a Coordinated Ferric Nitrosyl: Experimental and DFT Evidence for the Formation of a Heme Model-HNO Derivative.","Journal of the American Chemical Society","2016","138","1","104","107","10.1021/jacs.5b12008","","","0.71073","MoKα","","0.0488","0.0383","","","0.099","0.1073","","","","","","0.982","","","","has coordinates,has disorder","288505","2023-12-22","15:12:01",""
"4129937","22.5428","0.0002","10.7047","0.0001","24.0361","0.0002","90","","94.4528","0.0008","90","","5782.74","0.09","100","","100","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C135 H159.7 Cl0.3 N2 O4.85 -","- C135 H159.7 Cl0.3 N2 O4.85 -","- C270 H319.4 Cl0.6 N4 O9.7 -","2","1","","Movsisyan, Levon D.; Franz, Michael; Hampel, Frank; Thompson, Amber L.; Tykwinski, Rik R.; Anderson, Harry L.","Polyyne Rotaxanes: Stabilization by Encapsulation.","Journal of the American Chemical Society","2016","138","4","1366","1376","10.1021/jacs.5b12049","","","0.6889","Synchrotron","","0.0726","0.0625","","0.1727","0.1532","0.171","","","","","","0.975","","","","has coordinates,has disorder","240564","2020-10-21","18:00:00",""
"4129938","15.838","0.0003","18.8583","0.0005","22.3857","0.0005","100.076","0.002","100.244","0.0019","103.903","0.002","6218.7","0.3","100","","100","","","","","","","","","4","P -1","-P 1","2","","","","- C133 H164 N2 O3 -","- C133 H164 N2 O3 -","- C266 H328 N4 O6 -","2","1","","Movsisyan, Levon D.; Franz, Michael; Hampel, Frank; Thompson, Amber L.; Tykwinski, Rik R.; Anderson, Harry L.","Polyyne Rotaxanes: Stabilization by Encapsulation.","Journal of the American Chemical Society","2016","138","4","1366","1376","10.1021/jacs.5b12049","","","0.6889","Synchrotron","","0.1356","0.12","","0.2457","0.2296","0.2455","","","","","","1.0257","","","","has coordinates,has disorder","240564","2020-10-21","18:00:00",""
"4129939","14.4432","0.0002","15.6903","0.0003","51.638","0.0009","90","","93.5137","0.0016","90","","11680.1","0.3","173","0.1","173","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C136 H152 N2 O3 -","- C136 H152 N2 O3 -","- C544 H608 N8 O12 -","4","1","","Movsisyan, Levon D.; Franz, Michael; Hampel, Frank; Thompson, Amber L.; Tykwinski, Rik R.; Anderson, Harry L.","Polyyne Rotaxanes: Stabilization by Encapsulation.","Journal of the American Chemical Society","2016","138","4","1366","1376","10.1021/jacs.5b12049","","","1.5418","CuKα","","0.0764","0.0647","","","0.1611","0.1735","","","","","","1.025","","","","has coordinates,has disorder","240564","2020-10-21","18:00:00",""
"4129940","21.88","0.018","23.986","0.019","24.4","0.02","85.13","0.04","80.6","0.03","63.907","0.019","11345","16","100","","100","","","","","","","","","4","P -1","-P 1","2","","","","- C238 H294 N2 O4 -","- C238 H294 N2 O4 -","- C476 H588 N4 O8 -","2","1","","Movsisyan, Levon D.; Franz, Michael; Hampel, Frank; Thompson, Amber L.; Tykwinski, Rik R.; Anderson, Harry L.","Polyyne Rotaxanes: Stabilization by Encapsulation.","Journal of the American Chemical Society","2016","138","4","1366","1376","10.1021/jacs.5b12049","","","0.6889","Synchrotron","","0.1943","0.1465","","0.4265","0.3742","0.4265","","","","","","1.1297","","","","has coordinates,has disorder","240564","2020-10-21","18:00:00",""
"4129941","14.5311","0.0005","15.0614","0.0005","28.4507","0.0009","98.118","0.003","97.637","0.003","90.506","0.003","6107.2","0.4","100","","100","","","","","","","","","4","P -1","-P 1","2","","","","- C144 H168 N2 O4 -","- C144 H168 N2 O4 -","- C288 H336 N4 O8 -","2","1","","Movsisyan, Levon D.; Franz, Michael; Hampel, Frank; Thompson, Amber L.; Tykwinski, Rik R.; Anderson, Harry L.","Polyyne Rotaxanes: Stabilization by Encapsulation.","Journal of the American Chemical Society","2016","138","4","1366","1376","10.1021/jacs.5b12049","","","0.6889","Synchrotron","","0.0885","0.0725","","0.1647","0.1408","0.1647","","","","","","0.9303","","","","has coordinates,has disorder","240564","2020-10-21","18:00:00",""
"4129942","25.4049","0.0002","19.0336","0.0002","31.4863","0.0002","90","","90.6358","0.0006","90","","15224.2","0.2","100","","100","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C155.53 H189.06 Cl1.06 N6 O7 Si Zn -","- C155.531 H189.062 Cl1.062 N6 O7 Si Zn -","- C622.124 H756.248 Cl4.248 N24 O28 Si4 Zn4 -","4","1","","Movsisyan, Levon D.; Franz, Michael; Hampel, Frank; Thompson, Amber L.; Tykwinski, Rik R.; Anderson, Harry L.","Polyyne Rotaxanes: Stabilization by Encapsulation.","Journal of the American Chemical Society","2016","138","4","1366","1376","10.1021/jacs.5b12049","","","0.6889","Synchrotron","","0.1478","0.1239","","0.416","0.3766","0.414","","","","","","1.0368","","","","has coordinates,has disorder","240564","2020-10-21","18:00:00",""
"4129943","18.7759","0.0005","25.0785","0.001","27.0816","0.001","70.818","0.003","84.309","0.003","89.279","0.003","11981.9","0.8","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C239.679 H282.716 N8 O13.68 Zn -","- C239.679 H282.716 N8 O13.679 Zn -","- C479.358 H565.432 N16 O27.358 Zn2 -","2","1","","Movsisyan, Levon D.; Franz, Michael; Hampel, Frank; Thompson, Amber L.; Tykwinski, Rik R.; Anderson, Harry L.","Polyyne Rotaxanes: Stabilization by Encapsulation.","Journal of the American Chemical Society","2016","138","4","1366","1376","10.1021/jacs.5b12049","","","0.6889","Synchrotron","","0.1663","0.1309","","0.4226","0.3444","0.4225","","","","","","1.0241","","","","has coordinates,has disorder","240564","2020-10-21","18:00:00",""
"4129944","17.5489","0.0004","20.4355","0.0006","23.3976","0.0007","115.875","0.003","90.692","0.002","104.88","0.002","7221.7","0.4","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C147 H194 Br4 Cl2 N2 O10 -","- C147 H194 Br4 Cl2 N2 O10 -","- C294 H388 Br8 Cl4 N4 O20 -","2","1","","Movsisyan, Levon D.; Franz, Michael; Hampel, Frank; Thompson, Amber L.; Tykwinski, Rik R.; Anderson, Harry L.","Polyyne Rotaxanes: Stabilization by Encapsulation.","Journal of the American Chemical Society","2016","138","4","1366","1376","10.1021/jacs.5b12049","","","0.6889","Synchrotron","","0.1116","0.0872","","0.2938","0.254","0.2938","","","","","","0.9289","","","","has coordinates,has disorder","240564","2020-10-21","18:00:00",""
"4129945","37.513","0.005","10.095","0.002","19.458","0.002","90","","103.045","0.005","90","","7178.5","1.9","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C28.38 H49.75 Gd N6 O15.12 -","- C28 H49 Gd N6 O15 -","- C224 H392 Gd8 N48 O120 -","8","1","","He, Jiefang; Bonnet, Célia S; Eliseeva, Svetlana V.; Lacerda, Sara; Chauvin, Thomas; Retailleau, Pascal; Szeremeta, Frederic; Badet, Bernard; Petoud, Stéphane; Tóth, Éva; Durand, Philippe","Prototypes of Lanthanide(III) Agents Responsive to Enzymatic Activities in Three Complementary Imaging Modalities: Visible/Near-Infrared Luminescence, PARACEST-, and T1-MRI.","Journal of the American Chemical Society","2016","138","9","2913","2916","10.1021/jacs.5b12084","","","0.7107","MoKα","","0.0392","0.0291","","","0.0643","0.0688","","","","","","1.034","","","","has coordinates,has disorder","240565","2020-10-21","18:00:00",""
"4129946","8.3832","0.0009","9.528","0.0007","14.1771","0.0019","70.791","0.009","77.122","0.01","86.609","0.008","1042.3","0.2","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C13 H27 Fe I2 N O2 P2 -","- C13 H27 Fe I2 N O2 P2 -","- C26 H54 Fe2 I4 N2 O4 P4 -","2","1","","Xu, Tao; Yin, Chih-Juo Madeline; Wodrich, Matthew D.; Mazza, Simona; Schultz, Katherine M.; Scopelliti, Rosario; Hu, Xile","A Functional Model of [Fe]-Hydrogenase.","Journal of the American Chemical Society","2016","138","10","3270","3273","10.1021/jacs.5b12095","","","0.71073","MoKα","","0.0618","0.0524","","","0.1326","0.1402","","","","","","1.108","","","","has coordinates,has disorder","240566","2020-10-21","18:00:00",""
"4129947","9.9016","0.0016","11.7995","0.001","21.0437","0.0013","90","","90","","90","","2458.6","0.5","100","2","100","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C20 H35 Fe I N2 O3 P2 -","- C20 H35 Fe I N2 O3 P2 -","- C80 H140 Fe4 I4 N8 O12 P8 -","4","1","","Xu, Tao; Yin, Chih-Juo Madeline; Wodrich, Matthew D.; Mazza, Simona; Schultz, Katherine M.; Scopelliti, Rosario; Hu, Xile","A Functional Model of [Fe]-Hydrogenase.","Journal of the American Chemical Society","2016","138","10","3270","3273","10.1021/jacs.5b12095","","","0.71073","MoKα","","0.0324","0.0274","","","0.0594","0.0617","","","","","","1.206","","","","has coordinates","240567","2020-10-21","18:00:00",""
"4129948","26.473","0.004","15.889","0.002","54.655","0.007","90","","101.963","0.007","90","","22490","5","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C194 H288 B2 Cu34 F8 O2 -","- C194 H288 B2 Cu34 F8 O2 -","- C776 H1152 B8 Cu136 F32 O8 -","4","1","","Zhang, Li-Min; Mak, Thomas C. W.","Comproportionation Synthesis of Copper(I) Alkynyl Complexes Encapsulating Polyoxomolybdate Templates: Bowl-Shaped Cu33 and Peanut-Shaped Cu62 Nanoclusters.","Journal of the American Chemical Society","2016","138","9","2909","2912","10.1021/jacs.5b12103","","","0.71073","MoKα","","0.1688","0.1079","","","0.2745","0.3302","","","","","","1.058","","","","has coordinates,has disorder","240568","2020-10-21","18:00:00",""
"4129949","14.6845","0.001","19.5028","0.0012","21.5607","0.0014","90","","91.957","0.004","90","","6171.1","0.7","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C102 H164 Cu18 F6 O12 S2 -","- C102 H164 Cu18 F6 O12 S2 -","- C204 H328 Cu36 F12 O24 S4 -","2","0.5","","Zhang, Li-Min; Mak, Thomas C. W.","Comproportionation Synthesis of Copper(I) Alkynyl Complexes Encapsulating Polyoxomolybdate Templates: Bowl-Shaped Cu33 and Peanut-Shaped Cu62 Nanoclusters.","Journal of the American Chemical Society","2016","138","9","2909","2912","10.1021/jacs.5b12103","","","0.71073","MoKα","","0.0691","0.0478","","","0.1416","0.1544","","","","","","1.089","","","","has coordinates,has disorder","240568","2020-10-21","18:00:00",""
"4129950","18.3273","0.0018","59.907","0.006","19.5146","0.0015","90","","118.25","0.007","90","","18874","3","173","2","173","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C144 H216 B Cu33 F4 Mo4 O16 -","- C144 H216 B Cu33 F4 Mo4 O16 -","- C576 H864 B4 Cu132 F16 Mo16 O64 -","4","1","","Zhang, Li-Min; Mak, Thomas C. W.","Comproportionation Synthesis of Copper(I) Alkynyl Complexes Encapsulating Polyoxomolybdate Templates: Bowl-Shaped Cu33 and Peanut-Shaped Cu62 Nanoclusters.","Journal of the American Chemical Society","2016","138","9","2909","2912","10.1021/jacs.5b12103","","","0.71073","MoKα","","0.1167","0.0966","","","0.2086","0.2181","","","","","","1.001","","","","has coordinates,has disorder","240568","2020-10-21","18:00:00",""
"4129951","17.4851","0.0011","19.3584","0.0011","45.512","0.003","90","","90.54","0.004","90","","15404.4","1.7","173","2","173","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C208 H310 Cu62 F12 Mo12 O62 S4 -","- C208 H310 Cu62 F12 Mo12 O62 S4 -","- C416 H620 Cu124 F24 Mo24 O124 S8 -","2","0.5","","Zhang, Li-Min; Mak, Thomas C. W.","Comproportionation Synthesis of Copper(I) Alkynyl Complexes Encapsulating Polyoxomolybdate Templates: Bowl-Shaped Cu33 and Peanut-Shaped Cu62 Nanoclusters.","Journal of the American Chemical Society","2016","138","9","2909","2912","10.1021/jacs.5b12103","","","0.71073","MoKα","","0.113","0.0658","","","0.1876","0.2044","","","","","","1.036","","","","has coordinates,has disorder","240568","2020-10-21","18:00:00",""
"4129955","25.347","0.004","19.541","0.003","30.42","0.004","90","","90","","90","","15067","4","100","1","100","1","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C66 H116 Fe3 K N6 O9 Si3 -","- C66 H116 Fe3 K N6 O9 Si3 -","- C528 H928 Fe24 K8 N48 O72 Si24 -","8","1","","Hernández Sánchez, Raúl; Bartholomew, Amymarie K.; Powers, Tamara M.; Ménard, Gabriel; Betley, Theodore A.","Maximizing Electron Exchange in a [Fe3] Cluster.","Journal of the American Chemical Society","2016","138","7","2235","2243","10.1021/jacs.5b12181","","","0.71073","MoKα","","0.096","0.0563","","","0.1366","0.1608","","","","","","1.035","","","","has coordinates,has disorder","240572","2020-10-21","18:00:00",""
"4129956","13.449","0.003","19.29","0.005","25.532","0.006","90","","90","","90","","6624","3","100","1","100","1","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C60 H102 Fe3 K N8 O6 Si3 -","- C60 H102 Fe3 K N8 O6 Si3 -","- C240 H408 Fe12 K4 N32 O24 Si12 -","4","1","","Hernández Sánchez, Raúl; Bartholomew, Amymarie K.; Powers, Tamara M.; Ménard, Gabriel; Betley, Theodore A.","Maximizing Electron Exchange in a [Fe3] Cluster.","Journal of the American Chemical Society","2016","138","7","2235","2243","10.1021/jacs.5b12181","","","0.71073","MoKα","","0.0645","0.047","","","0.1013","0.1088","","","","","","1.02","","","","has coordinates","240572","2020-10-21","18:00:00",""
"4129957","12.1685","0.0014","29.393","0.004","22.13","0.003","90","","93.436","0.011","90","","7901","1.8","180","2","180","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C61.5 H68 Cl11.5 N4 O8 Pd2 -","- C61.5 H68 Cl11.4999 N4 O8 Pd2 -","- C246 H272 Cl45.9996 N16 O32 Pd8 -","4","1","","Greb, Lutz; Mutlu, Hatice; Barner-Kowollik, Christopher; Lehn, Jean-Marie","Photo- and Metallo-responsive N-Alkyl α-Bisimines as Orthogonally Addressable Main-Chain Functional Groups in Metathesis Polymers.","Journal of the American Chemical Society","2016","138","4","1142","1145","10.1021/jacs.5b12198","","","0.71073","MoKα","","0.1089","0.0734","","","0.2061","0.232","","","","","","1.048","","","","has coordinates,has disorder","240573","2020-10-21","18:00:00",""
"4129958","9.6534","0.0004","12.1371","0.0006","19.5361","0.001","98.81","0.004","97.793","0.004","90.592","0.004","2239.91","0.19","180","2","180","2","","","","","","","","4","P -1","-P 1","2","","","","- C26 H32 N2 O2 -","- C26 H32 N2 O2 -","- C104 H128 N8 O8 -","4","2","","Greb, Lutz; Mutlu, Hatice; Barner-Kowollik, Christopher; Lehn, Jean-Marie","Photo- and Metallo-responsive N-Alkyl α-Bisimines as Orthogonally Addressable Main-Chain Functional Groups in Metathesis Polymers.","Journal of the American Chemical Society","2016","138","4","1142","1145","10.1021/jacs.5b12198","","","0.71073","MoKα","","0.1145","0.0486","","","0.0901","0.1077","","","","","","0.914","","","","has coordinates","240574","2020-10-21","18:00:00",""
"4129959","22.413","0.0009","16.4854","0.0008","24.6252","0.0012","90","","96.581","0.003","90","","9038.7","0.7","100","2","99.99","","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C87 H53 Cl2 F13 Fe4 N12 O10 S2 -","- C87 H55 Cl2 F13 Fe4 N12 O10 S2 -","- C348 H220 Cl8 F52 Fe16 N48 O40 S8 -","4","1","","de Ruiter, Graham; Thompson, Niklas B.; Takase, Michael K.; Agapie, Theodor","Intramolecular C-H and C-F Bond Oxygenation Mediated by a Putative Terminal Oxo Species in Tetranuclear Iron Complexes.","Journal of the American Chemical Society","2016","138","5","1486","1489","10.1021/jacs.5b12214","","","1.54178","CuKα","","0.2783","0.1492","","","0.3675","0.4403","","","","","","1.151","","","","has coordinates,has disorder","240575","2020-10-21","18:00:00",""
"4129960","17.22","0.0005","26.3779","0.0009","19.6922","0.0006","90","","99.724","0.001","90","","8816.2","0.5","100","2","100","","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C95 H83 Cl4 F3 Fe4 N12 O10 S -","- C95 H83 Cl4 F3 Fe4 N12 O10 S -","- C380 H332 Cl16 F12 Fe16 N48 O40 S4 -","4","1","","de Ruiter, Graham; Thompson, Niklas B.; Takase, Michael K.; Agapie, Theodor","Intramolecular C-H and C-F Bond Oxygenation Mediated by a Putative Terminal Oxo Species in Tetranuclear Iron Complexes.","Journal of the American Chemical Society","2016","138","5","1486","1489","10.1021/jacs.5b12214","","","0.71073","MoKα","","0.1008","0.0683","","","0.1774","0.1968","","","","","","1.046","","","","has coordinates,has disorder","240575","2020-10-21","18:00:00",""
"4129961","24.3192","0.0013","30.6264","0.0016","24.9005","0.0014","90","","95.8456","0.0017","90","","18449.7","1.7","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C192.99 H160.09 F12 Fe8 N29.4 O24.67 S4 -","- C192.99 H160.092 F12 Fe8 N29.404 O24.676 S4 -","- C771.96 H640.368 F48 Fe32 N117.616 O98.704 S16 -","4","0.5","","de Ruiter, Graham; Thompson, Niklas B.; Takase, Michael K.; Agapie, Theodor","Intramolecular C-H and C-F Bond Oxygenation Mediated by a Putative Terminal Oxo Species in Tetranuclear Iron Complexes.","Journal of the American Chemical Society","2016","138","5","1486","1489","10.1021/jacs.5b12214","","","0.71073","MoKα","","0.1263","0.0773","","","0.2051","0.244","","","","","","1.042","","","","has coordinates,has disorder","240575","2020-10-21","18:00:00",""
"4129962","14.9873","0.0004","26.9656","0.0007","22.7659","0.0006","90","","100.818","0.002","90","","9037.1","0.4","100","2","100.02","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C93.2 H70.8 F11 Fe4 N13.6 O13 S2 -","- C93.2 H70.8 F11 Fe4 N13.6 O13 S2 -","- C372.8 H283.2 F44 Fe16 N54.4 O52 S8 -","4","1","","de Ruiter, Graham; Thompson, Niklas B.; Takase, Michael K.; Agapie, Theodor","Intramolecular C-H and C-F Bond Oxygenation Mediated by a Putative Terminal Oxo Species in Tetranuclear Iron Complexes.","Journal of the American Chemical Society","2016","138","5","1486","1489","10.1021/jacs.5b12214","","","1.54178","CuKα","","0.135","0.0857","","","0.206","0.2402","","","","","","1.012","","","","has coordinates,has disorder","240575","2020-10-21","18:00:00",""
"4129963","22.6768","0.0014","17.606","0.0011","24.2443","0.0014","90","","96.7988","0.0018","90","","9611.4","1","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C97.52 H75.28 F12 Fe4 N15.76 O11 S2 -","- C97.518 H75.277 F12 Fe4 N15.759 O11 S2 -","- C390.072 H301.108 F48 Fe16 N63.036 O44 S8 -","4","1","","de Ruiter, Graham; Thompson, Niklas B.; Takase, Michael K.; Agapie, Theodor","Intramolecular C-H and C-F Bond Oxygenation Mediated by a Putative Terminal Oxo Species in Tetranuclear Iron Complexes.","Journal of the American Chemical Society","2016","138","5","1486","1489","10.1021/jacs.5b12214","","","0.71073","MoKα","","0.1075","0.0792","","","0.2235","0.2467","","","","","","1.053","","","","has coordinates,has disorder","240575","2020-10-21","18:00:00",""
"4129964","25.425","0.005","31.58","0.006","47.448","0.01","90","","102.06","0.03","90","","37256","14","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C180 H150 N71 O30 Pd6 -","- C180 H150 N71 O30 Pd6 -","- C720 H600 N284 O120 Pd24 -","4","1","","Howlader, Prodip; Das, Paramita; Zangrando, Ennio; Mukherjee, Partha Sarathi","Urea-Functionalized Self-Assembled Molecular Prism for Heterogeneous Catalysis in Water.","Journal of the American Chemical Society","2016","138","5","1668","1676","10.1021/jacs.5b12237","","","0.7","synchrotron","","0.1038","0.0805","","","0.2272","0.2459","","","","","","0.846","","","","has coordinates","240576","2020-10-21","18:00:00",""
"4129965","8.908","0.003","9.384","0.003","13.422","0.005","108.421","0.009","103.935","0.009","98.091","0.01","1004.1","0.6","110","2","110","2","","","","","","","","4","P -1","-P 1","2","","","","- C26 H21 N O3 -","- C26 H21 N O3 -","- C52 H42 N2 O6 -","2","1","","Howlader, Prodip; Das, Paramita; Zangrando, Ennio; Mukherjee, Partha Sarathi","Urea-Functionalized Self-Assembled Molecular Prism for Heterogeneous Catalysis in Water.","Journal of the American Chemical Society","2016","138","5","1668","1676","10.1021/jacs.5b12237","","","0.71073","MoKα","","0.079","0.0458","","","0.1037","0.1213","","","","","","1.026","","","","has coordinates","240577","2020-10-21","18:00:00",""
"4129966","6.9717","0.0014","12.837","0.003","9.4361","0.0019","90","","111.68","","90","","784.8","0.3","110","2","110","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H16 N6 O2 -","- C18 H16 N6 O2 -","- C36 H32 N12 O4 -","2","0.5","","Howlader, Prodip; Das, Paramita; Zangrando, Ennio; Mukherjee, Partha Sarathi","Urea-Functionalized Self-Assembled Molecular Prism for Heterogeneous Catalysis in Water.","Journal of the American Chemical Society","2016","138","5","1668","1676","10.1021/jacs.5b12237","","","0.71073","MoKα","","0.1239","0.0922","","","0.2178","0.2313","","","","","","1.053","","","","has coordinates","240578","2020-10-21","18:00:00",""
"4129967","7.232","0.0007","10.7011","0.001","14.8484","0.0013","90","","90","","90","","1149.12","0.18","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C14 H9 N O2 S -","- C14 H9 N O2 S -","- C56 H36 N4 O8 S4 -","4","1","","Colletto, Chiara; Islam, Saidul; Juliá-Hernández, Francisco; Larrosa, Igor","Room-Temperature Direct β-Arylation of Thiophenes and Benzo[b]thiophenes and Kinetic Evidence for a Heck-type Pathway.","Journal of the American Chemical Society","2016","138","5","1677","1683","10.1021/jacs.5b12242","","","1.54178","CuKα","","0.0251","0.0243","","","0.0638","0.0643","","","","","","1.059","","","","has coordinates","240579","2020-10-21","18:00:00",""
"4129968","10.3548","0.0002","20.5134","0.0004","18.1042","0.0005","90","","101.821","0.001","90","","3764","0.15","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C36 H62 Co N2 Si2 -","- C36 H62 Co N2 Si2 -","- C144 H248 Co4 N8 Si8 -","4","1","","Palmer, W. Neil; Obligacion, Jennifer V.; Pappas, Iraklis; Chirik, Paul J.","Cobalt-Catalyzed Benzylic Borylation: Enabling Polyborylation and Functionalization of Remote, Unactivated C(sp(3))-H Bonds.","Journal of the American Chemical Society","2016","138","3","766","769","10.1021/jacs.5b12249","","","1.54178","CuKα","","0.0652","0.0593","","","0.1632","0.1698","","","","","","1.095","","","","has coordinates","258458","2020-10-21","18:00:00",""
"4129969","12.3461","0.0007","13.3612","0.0008","17.5563","0.0011","90","","92.925","0.002","90","","2892.3","0.3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H50 Co N2 Si2 -","- C24 H50 Co N2 Si2 -","- C96 H200 Co4 N8 Si8 -","4","1","","Palmer, W. Neil; Obligacion, Jennifer V.; Pappas, Iraklis; Chirik, Paul J.","Cobalt-Catalyzed Benzylic Borylation: Enabling Polyborylation and Functionalization of Remote, Unactivated C(sp(3))-H Bonds.","Journal of the American Chemical Society","2016","138","3","766","769","10.1021/jacs.5b12249","","","0.71073","MoKα","","0.0657","0.0414","","","0.0937","0.1088","","","","","","1.04","","","","has coordinates","240580","2020-10-21","18:00:00",""
"4129970","10.1386","0.0006","10.3429","0.0005","16.9441","0.0008","90","","97.22","0.003","90","","1762.71","0.16","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C32 H54 B4 O8 -","- C32 H54 B4 O8 -","- C64 H108 B8 O16 -","2","0.5","","Palmer, W. Neil; Obligacion, Jennifer V.; Pappas, Iraklis; Chirik, Paul J.","Cobalt-Catalyzed Benzylic Borylation: Enabling Polyborylation and Functionalization of Remote, Unactivated C(sp(3))-H Bonds.","Journal of the American Chemical Society","2016","138","3","766","769","10.1021/jacs.5b12249","","","0.71073","MoKα","","0.0666","0.0502","","","0.124","0.1327","","","","","","1.06","","","","has coordinates","240580","2020-10-21","18:00:00",""
"4129971","15.2146","0.0006","10.8264","0.0004","22.5475","0.0008","90","","109.475","0.001","90","","3501.5","0.2","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C32 H54 B4 O8 -","- C32 H54 B4 O8 -","- C128 H216 B16 O32 -","4","1","","Palmer, W. Neil; Obligacion, Jennifer V.; Pappas, Iraklis; Chirik, Paul J.","Cobalt-Catalyzed Benzylic Borylation: Enabling Polyborylation and Functionalization of Remote, Unactivated C(sp(3))-H Bonds.","Journal of the American Chemical Society","2016","138","3","766","769","10.1021/jacs.5b12249","","","0.71073","MoKα","","0.0668","0.0483","","","0.1181","0.1304","","","","","","0.936","","","","has coordinates,has disorder","240580","2020-10-21","18:00:00",""
"4129972","10.8115","0.0011","15.2429","0.0014","16.7747","0.0016","90","","90","","90","","2764.4","0.5","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C25 H41 B3 O6 -","- C25 H41 B3 O6 -","- C100 H164 B12 O24 -","4","1","","Palmer, W. Neil; Obligacion, Jennifer V.; Pappas, Iraklis; Chirik, Paul J.","Cobalt-Catalyzed Benzylic Borylation: Enabling Polyborylation and Functionalization of Remote, Unactivated C(sp(3))-H Bonds.","Journal of the American Chemical Society","2016","138","3","766","769","10.1021/jacs.5b12249","","","0.71073","MoKα","","0.0609","0.0442","","","0.0965","0.1064","","","","","","1.021","","","","has coordinates","240580","2020-10-21","18:00:00",""
"4129973","7.1942","0.0017","7.6321","0.0018","8.348","0.002","70.391","0.002","67.906","0.002","65.029","0.002","376.38","0.15","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C6 H2 F I N2 S -","- C6 H2 F I N2 S -","- C12 H4 F2 I2 N4 S2 -","2","1","","Shi, Qinqin; Zhang, Siyuan; Zhang, Junxiang; Oswald, Victoria F.; Amassian, Aram; Marder, Seth R.; Blakey, Simon B.","KO(t)Bu-Initiated Aryl C-H Iodination: A Powerful Tool for the Synthesis of High Electron Affinity Compounds.","Journal of the American Chemical Society","2016","138","12","3946","3949","10.1021/jacs.5b12259","","","0.71073","MoKα","","0.0317","0.0291","","","0.0724","0.0742","","","","","","1.06","","","","has coordinates","240581","2020-10-21","18:00:00",""
"4129974","4.21","0.0004","13.2907","0.001","14.1228","0.0011","90","","90","","90","","790.22","0.11","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C3 Br I2 N S -","- C3 Br I2 N S -","- C12 Br4 I8 N4 S4 -","4","1","","Shi, Qinqin; Zhang, Siyuan; Zhang, Junxiang; Oswald, Victoria F.; Amassian, Aram; Marder, Seth R.; Blakey, Simon B.","KO(t)Bu-Initiated Aryl C-H Iodination: A Powerful Tool for the Synthesis of High Electron Affinity Compounds.","Journal of the American Chemical Society","2016","138","12","3946","3949","10.1021/jacs.5b12259","","","0.71073","MoKα","","0.0472","0.0393","","","0.0757","0.0793","","","","","","0.995","","","","has coordinates","240582","2020-10-21","18:00:00",""
"4129975","18.473","0.003","18.473","0.003","52.11","0.01","90","","90","","120","","15400","5","150","2","150","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C50 H74 Cu2 N6 O19 -","- C32 H22 Cu2 O10 -","- C288 H198 Cu18 O90 -","9","0.5","","Yan, Yong; Juríček, Michal; Coudert, François-Xavier; Vermeulen, Nicolaas A.; Grunder, Sergio; Dailly, Anne; Lewis, William; Blake, Alexander J.; Stoddart, J. Fraser; Schröder, Martin","Non-Interpenetrated Metal-Organic Frameworks Based on Copper(II) Paddlewheel and Oligoparaxylene-Isophthalate Linkers: Synthesis, Structure, and Gas Adsorption.","Journal of the American Chemical Society","2016","138","10","3371","3381","10.1021/jacs.5b12312","","","0.71073","MoKα","","0.192","0.1082","","","0.2618","0.2815","","","","","","1.085","","","","has coordinates,has disorder","240583","2020-10-21","18:00:00",""
"4129976","18.3194","0.0005","18.3194","0.0005","65.6209","0.0019","90","","90","","120","","19072","0.9","120","2","120","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C61 H91 Cu2 N7 O21 -","- C40 H30 Cu2 O10 -","- C360 H270 Cu18 O90 -","9","0.5","","Yan, Yong; Juríček, Michal; Coudert, François-Xavier; Vermeulen, Nicolaas A.; Grunder, Sergio; Dailly, Anne; Lewis, William; Blake, Alexander J.; Stoddart, J. Fraser; Schröder, Martin","Non-Interpenetrated Metal-Organic Frameworks Based on Copper(II) Paddlewheel and Oligoparaxylene-Isophthalate Linkers: Synthesis, Structure, and Gas Adsorption.","Journal of the American Chemical Society","2016","138","10","3371","3381","10.1021/jacs.5b12312","","","0.6889","synchrotron","","0.15","0.144","","","0.406","0.42","","","","","","1.95","","","","has coordinates,has disorder","240583","2020-10-21","18:00:00",""
"4129977","8.6935","0.0001","25.5171","0.0005","32.5555","0.0007","90","","90","","90","","7221.9","0.2","100","2","100","2","","","","","","","","5","P 2 21 21","P 2bc 2","18","","","","- C54.25 H34 Cd2 N13 O15 -","- C54 H34 Cd2 N12.861 O14.722 -","- C216 H136 Cd8 N51.444 O58.888 -","4","1","","Koo, Jin Young; Yakiyama, Yumi; Lee, Gil Ryeong; Lee, Jinho; Choi, Hee Cheul; Morita, Yasushi; Kawano, Masaki","Selective Formation of Conductive Network by Radical-Induced Oxidation.","Journal of the American Chemical Society","2016","138","6","1776","1779","10.1021/jacs.5b12355","","","0.6889","synchrotron","","0.0877","0.0673","","","0.1865","0.1955","","","","","","0.977","","","","has coordinates,has disorder","240584","2020-10-21","18:00:00",""
"4129978","17.868","0.0002","15.1867","0.0002","33.7475","0.0006","90","","98.694","0.001","90","","9052.4","0.2","100","2","100","2","","","","","","","","5","P 1 2/n 1","-P 2yac","13","","","","- C80.5 H49 Cd2.5 N19.5 O23 -","- C79.5 H49 Cd2.397 N18.8 O19.975 -","- C318 H196 Cd9.588 N75.2 O79.9 -","4","1","","Koo, Jin Young; Yakiyama, Yumi; Lee, Gil Ryeong; Lee, Jinho; Choi, Hee Cheul; Morita, Yasushi; Kawano, Masaki","Selective Formation of Conductive Network by Radical-Induced Oxidation.","Journal of the American Chemical Society","2016","138","6","1776","1779","10.1021/jacs.5b12355","","","0.6889","synchrotron","","0.1249","0.0806","","","0.2506","0.2754","","","","","","1.008","","","","has coordinates,has disorder","240585","2020-10-21","18:00:00",""
"4129979","47.21","0.002","47.21","0.002","9.9682","0.0004","90","","90","","120","","19240.5","1.4","150","2","150","2","","","","","","","","4","P -3","-P 3","147","CAU-17","","","- C81 H27 Bi9 O63 -","- C81 H27 Bi9 O63 -","- C486 H162 Bi54 O378 -","6","1","","Inge, A. Ken; Köppen, Milan; Su, Jie; Feyand, Mark; Xu, Hongyi; Zou, Xiaodong; O'Keeffe, Michael; Stock, Norbert","Unprecedented Topological Complexity in a Metal-Organic Framework Constructed from Simple Building Units.","Journal of the American Chemical Society","2016","138","6","1970","1976","10.1021/jacs.5b12484","","","0.6889","","","0.1985","0.1061","","","0.2053","0.2623","","","","","","1.043","","","","has coordinates","240586","2020-10-21","18:00:00",""
"4129980","22.901","0.003","22.901","0.003","22.272","0.005","90","","90","","120","","10116","3","296","2","296","2","","","","","","","","6","P 61 2 2","P 61 2 (0 0 5)","178","","","","- C41 H57 Cu6 I4 N11 O3 -","- C32 H36 Cu6 I4 N8 -","- C192 H216 Cu36 I24 N48 -","6","0.5","","Luo, Xiaolong; Cao, Yu; Wang, Tao; Li, Guanghua; Li, Jiangang; Yang, Yonggang; Xu, Zhongxuan; Zhang, Jian; Huo, Qisheng; Liu, Yunling; Eddaoudi, Mohamed","Host-Guest Chirality Interplay: A Mutually Induced Formation of a Chiral ZMOF and Its Double-Helix Polymer Guests.","Journal of the American Chemical Society","2016","138","3","786","789","10.1021/jacs.5b12516","","","0.71073","MoKα","","0.0652","0.0428","","","0.1113","0.1176","","","","","","1.011","","","","has coordinates","240587","2020-10-21","18:00:00",""
"4129981","22.22","0.003","22.22","0.003","22.487","0.005","90","","90","","120","","9615","3","293","2","293","2","","","","","","","","6","P 61 2 2","P 61 2 (0 0 5)","178","","","","- C41 H57 Cu6 I4 N11 O3 -","- C35 H36 Cu6 I4 N9 -","- C210 H216 Cu36 I24 N54 -","6","0.5","","Luo, Xiaolong; Cao, Yu; Wang, Tao; Li, Guanghua; Li, Jiangang; Yang, Yonggang; Xu, Zhongxuan; Zhang, Jian; Huo, Qisheng; Liu, Yunling; Eddaoudi, Mohamed","Host-Guest Chirality Interplay: A Mutually Induced Formation of a Chiral ZMOF and Its Double-Helix Polymer Guests.","Journal of the American Chemical Society","2016","138","3","786","789","10.1021/jacs.5b12516","","","0.71073","MoKα","","0.0541","0.045","","","0.1394","0.1435","","","","","","1.097","","","","has coordinates","240588","2020-10-21","18:00:00",""
"4129982","22.92","0.003","22.92","0.003","22.27","0.005","90","","90","","120","","10132","3","296","2","296","2","","","","","","","","6","P 65 2 2","P 65 2 (0 0 1)","179","","","","- C41 H57 Cu6 I4 N11 O3 -","- C32 H36 Cu6 I4 N8 -","- C192 H216 Cu36 I24 N48 -","6","0.5","","Luo, Xiaolong; Cao, Yu; Wang, Tao; Li, Guanghua; Li, Jiangang; Yang, Yonggang; Xu, Zhongxuan; Zhang, Jian; Huo, Qisheng; Liu, Yunling; Eddaoudi, Mohamed","Host-Guest Chirality Interplay: A Mutually Induced Formation of a Chiral ZMOF and Its Double-Helix Polymer Guests.","Journal of the American Chemical Society","2016","138","3","786","789","10.1021/jacs.5b12516","","","0.71073","MoKα","","0.0812","0.0492","","","0.1233","0.1326","","","","","","1.012","","","","has coordinates","240589","2020-10-21","18:00:00",""
"4129983","25.893","0.005","12.995","0.003","6.5547","0.0014","90","","90","","90","","2205.5","0.8","130","","130","","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C27 H25 N O4 -","- C27 H25 N O4 -","- C108 H100 N4 O16 -","4","1","","Liu, Yuesheng; Wang, Lijun; Deng, Liang","Selective Double Carbomagnesiation of Internal Alkynes Catalyzed by Iron-N-Heterocyclic Carbene Complexes: A Convenient Method to Highly Substituted 1,3-Dienyl Magnesium Reagents.","Journal of the American Chemical Society","2016","138","1","112","115","10.1021/jacs.5b12522","","","0.71073","MoKα","","0.0816","0.0557","","","0.111","0.1218","","","","","","1.037","","","","has coordinates","240590","2020-10-21","18:00:00",""
"4129984","17.4002","0.0018","8.8803","0.0009","18.069","0.002","90","","113.935","0.002","90","","2551.9","0.5","296","2","296.15","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C29 H35 I -","- C29 H35 I -","- C116 H140 I4 -","4","1","","Liu, Yuesheng; Wang, Lijun; Deng, Liang","Selective Double Carbomagnesiation of Internal Alkynes Catalyzed by Iron-N-Heterocyclic Carbene Complexes: A Convenient Method to Highly Substituted 1,3-Dienyl Magnesium Reagents.","Journal of the American Chemical Society","2016","138","1","112","115","10.1021/jacs.5b12522","","","0.71073","MoKα","","0.0953","0.0462","","","0.1127","0.1408","","","","","","0.942","","","","has coordinates","240590","2020-10-21","18:00:00",""
"4129985","14.9865","0.0005","7.9786","0.0003","34.6321","0.0012","90","","101.364","0.002","90","","4059.8","0.2","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C55 H54 O -","- C55 H54 O -","- C220 H216 O4 -","4","1","","Hu, Pan; Lee, Sangsu; Herng, Tun Seng; Aratani, Naoki; Gonçalves, Théo P; Qi, Qingbiao; Shi, Xueliang; Yamada, Hiroko; Huang, Kuo-Wei; Ding, Jun; Kim, Dongho; Wu, Jishan","Toward Tetraradicaloid: The Effect of Fusion Mode on Radical Character and Chemical Reactivity.","Journal of the American Chemical Society","2016","138","3","1065","1077","10.1021/jacs.5b12532","","","1.54178","CuKα","","0.067","0.0486","","","0.1184","0.1306","","","","","","1.033","","","","has coordinates","240591","2020-10-21","18:00:00",""
"4129986","32.7089","0.0012","14.2715","0.0005","15.626","0.0006","90","","104.233","0.002","90","","7070.4","0.5","161","2","161","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C39 H25 F12 O -","- C39 H25 F12 O -","- C312 H200 F96 O8 -","8","1","","Hu, Pan; Lee, Sangsu; Herng, Tun Seng; Aratani, Naoki; Gonçalves, Théo P; Qi, Qingbiao; Shi, Xueliang; Yamada, Hiroko; Huang, Kuo-Wei; Ding, Jun; Kim, Dongho; Wu, Jishan","Toward Tetraradicaloid: The Effect of Fusion Mode on Radical Character and Chemical Reactivity.","Journal of the American Chemical Society","2016","138","3","1065","1077","10.1021/jacs.5b12532","","","1.54178","CuKα","","0.0753","0.0625","","","0.1735","0.187","","","","","","1.044","","","","has coordinates,has disorder","240592","2020-10-21","18:00:00",""
"4129987","7.7536","0.0003","8.4647","0.0004","16.2224","0.0008","83.656","0.002","80.33","0.002","65.602","0.001","954.85","0.08","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C26 H19 F5 O -","- C26 H19 F5 O -","- C52 H38 F10 O2 -","2","1","","Hu, Pan; Lee, Sangsu; Herng, Tun Seng; Aratani, Naoki; Gonçalves, Théo P; Qi, Qingbiao; Shi, Xueliang; Yamada, Hiroko; Huang, Kuo-Wei; Ding, Jun; Kim, Dongho; Wu, Jishan","Toward Tetraradicaloid: The Effect of Fusion Mode on Radical Character and Chemical Reactivity.","Journal of the American Chemical Society","2016","138","3","1065","1077","10.1021/jacs.5b12532","","","0.71073","MoKα","","0.0609","0.0457","","","0.1186","0.128","","","","","","1.032","","","","has coordinates","240593","2020-10-21","18:00:00",""
"4129988","10.948","0.0004","12.0802","0.0004","16.2323","0.0006","69.553","0.002","76.264","0.002","79.814","0.002","1943.58","0.12","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C102 H108 O6 -","- C102 H108 O6 -","- C102 H108 O6 -","1","0.5","","Hu, Pan; Lee, Sangsu; Herng, Tun Seng; Aratani, Naoki; Gonçalves, Théo P; Qi, Qingbiao; Shi, Xueliang; Yamada, Hiroko; Huang, Kuo-Wei; Ding, Jun; Kim, Dongho; Wu, Jishan","Toward Tetraradicaloid: The Effect of Fusion Mode on Radical Character and Chemical Reactivity.","Journal of the American Chemical Society","2016","138","3","1065","1077","10.1021/jacs.5b12532","","","1.54178","CuKα","","0.089","0.057","","","0.1413","0.1578","","","","","","1.029","","","","has coordinates,has disorder","240594","2020-10-21","18:00:00",""
"4129989","9.2447","0.0004","27.6365","0.001","14.8907","0.0005","90","","98.658","0.003","90","","3761.1","0.2","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C50 H50 O -","- C50 H50 O -","- C200 H200 O4 -","4","1","","Hu, Pan; Lee, Sangsu; Herng, Tun Seng; Aratani, Naoki; Gonçalves, Théo P; Qi, Qingbiao; Shi, Xueliang; Yamada, Hiroko; Huang, Kuo-Wei; Ding, Jun; Kim, Dongho; Wu, Jishan","Toward Tetraradicaloid: The Effect of Fusion Mode on Radical Character and Chemical Reactivity.","Journal of the American Chemical Society","2016","138","3","1065","1077","10.1021/jacs.5b12532","","","1.54178","CuKα","","0.0889","0.05","","","0.1152","0.1311","","","","","","1.022","","","","has coordinates","240595","2020-10-21","18:00:00",""
"4129990","26.3642","0.0016","16.1386","0.0009","23.42","0.002","90","","119.461","0.0018","90","","8676.2","1","100","2","100","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C58 H60 O2 -","- C58 H60 O2 -","- C464 H480 O16 -","8","1","","Hu, Pan; Lee, Sangsu; Herng, Tun Seng; Aratani, Naoki; Gonçalves, Théo P; Qi, Qingbiao; Shi, Xueliang; Yamada, Hiroko; Huang, Kuo-Wei; Ding, Jun; Kim, Dongho; Wu, Jishan","Toward Tetraradicaloid: The Effect of Fusion Mode on Radical Character and Chemical Reactivity.","Journal of the American Chemical Society","2016","138","3","1065","1077","10.1021/jacs.5b12532","","","0.71073","MoKα","","0.0613","0.0513","","","0.1386","0.1481","","","","","","1.021","","","","has coordinates","240596","2020-10-21","18:00:00",""
"4129991","15.7254","0.0008","16.3","0.0008","19.7644","0.001","88.0843","0.0009","73.1877","0.0009","70.5165","0.0009","4560.7","0.4","90","","90","","","","","","","","","4","P -1","-P 1","2","","","","- C108 H112 Cl6 O6 -","- C108 H112 Cl6 O6 -","- C216 H224 Cl12 O12 -","2","1","","Hu, Pan; Lee, Sangsu; Herng, Tun Seng; Aratani, Naoki; Gonçalves, Théo P; Qi, Qingbiao; Shi, Xueliang; Yamada, Hiroko; Huang, Kuo-Wei; Ding, Jun; Kim, Dongho; Wu, Jishan","Toward Tetraradicaloid: The Effect of Fusion Mode on Radical Character and Chemical Reactivity.","Journal of the American Chemical Society","2016","138","3","1065","1077","10.1021/jacs.5b12532","","","0.71073","MoKα","","0.0871","0.064","","","0.1703","0.1934","","","","","","1.024","","","","has coordinates,has disorder","240597","2020-10-21","18:00:00",""
"4129992","12.797","0.0008","21.5812","0.0015","17.5714","0.001","90","","93.118","0.004","90","","4845.6","0.5","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C52 H28.5 B Cl1.5 F20 O Zr -","- C52 H28.5 B Cl1.5 F20 O Zr -","- C208 H114 B4 Cl6 F80 O4 Zr4 -","4","1","","Metters, Owen J.; Forrest, Sebastian J. K.; Sparkes, Hazel A.; Manners, Ian; Wass, Duncan F.","Small Molecule Activation by Intermolecular Zr(IV)-Phosphine Frustrated Lewis Pairs.","Journal of the American Chemical Society","2016","138","6","1994","2003","10.1021/jacs.5b12536","","","0.71073","MoKα","","0.0825","0.0471","","","0.0947","0.1076","","","","","","1.014","","","","has coordinates,has disorder","240598","2020-10-21","18:00:00",""
"4129993","14.7527","0.0003","18.8854","0.0004","19.4012","0.0004","90","","93.297","0.001","90","","5396.43","0.19","100","","100","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C59 H46 B Cl F20 O Zr -","- C59 H46 B Cl F20 O Zr -","- C236 H184 B4 Cl4 F80 O4 Zr4 -","4","1","","Metters, Owen J.; Forrest, Sebastian J. K.; Sparkes, Hazel A.; Manners, Ian; Wass, Duncan F.","Small Molecule Activation by Intermolecular Zr(IV)-Phosphine Frustrated Lewis Pairs.","Journal of the American Chemical Society","2016","138","6","1994","2003","10.1021/jacs.5b12536","","","0.71073","MoKα","","0.0766","0.0493","","","0.108","0.1184","","","","","","1.053","","","","has coordinates,has disorder","240598","2020-10-21","18:00:00",""
"4129994","9.9785","0.0003","31.1578","0.0009","10.1034","0.0003","90","","113.626","0.0015","90","","2877.95","0.15","100","","100","","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C60 H56 B F20 O3 P Zr -","- C60 H56 B F20 O3 P Zr -","- C120 H112 B2 F40 O6 P2 Zr2 -","2","1","","Metters, Owen J.; Forrest, Sebastian J. K.; Sparkes, Hazel A.; Manners, Ian; Wass, Duncan F.","Small Molecule Activation by Intermolecular Zr(IV)-Phosphine Frustrated Lewis Pairs.","Journal of the American Chemical Society","2016","138","6","1994","2003","10.1021/jacs.5b12536","","","0.71073","MoKα","","0.0377","0.031","","","0.0603","0.0625","","","","","","1.017","","","","has coordinates","240598","2020-10-21","18:00:00",""
"4129995","13.3376","0.0002","13.821","0.0003","14.9684","0.0003","74.9625","0.0009","66.3765","0.0008","89.8892","0.0009","2425.17","0.08","100","","100","","","","","","","","","7","P -1","-P 1","2","","","","- C53 H34 B Cl F20 O2 Zr -","- C53 H34 B Cl F20 O2 Zr -","- C106 H68 B2 Cl2 F40 O4 Zr2 -","2","1","","Metters, Owen J.; Forrest, Sebastian J. K.; Sparkes, Hazel A.; Manners, Ian; Wass, Duncan F.","Small Molecule Activation by Intermolecular Zr(IV)-Phosphine Frustrated Lewis Pairs.","Journal of the American Chemical Society","2016","138","6","1994","2003","10.1021/jacs.5b12536","","","0.71073","MoKα","","0.0319","0.0278","","","0.0673","0.0695","","","","","","1.021","","","","has coordinates,has disorder","240598","2020-10-21","18:00:00",""
"4129996","10.6322","0.0002","31.07","0.0008","17.1127","0.0004","90","","96.56","0.001","90","","5616","0.2","100","","100","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C63 H54 B Cl F20 O2 Zr -","- C63 H54 B Cl F20 O2 Zr -","- C252 H216 B4 Cl4 F80 O8 Zr4 -","4","1","","Metters, Owen J.; Forrest, Sebastian J. K.; Sparkes, Hazel A.; Manners, Ian; Wass, Duncan F.","Small Molecule Activation by Intermolecular Zr(IV)-Phosphine Frustrated Lewis Pairs.","Journal of the American Chemical Society","2016","138","6","1994","2003","10.1021/jacs.5b12536","","","0.71073","MoKα","","0.0417","0.0321","","","0.073","0.0778","","","","","","1.029","","","","has coordinates","240598","2020-10-21","18:00:00",""
"4129997","12.6964","0.0004","15.2765","0.0005","19.25","0.0006","73.594","0.002","74.388","0.002","82.392","0.002","3443.1","0.2","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C79 H62 B F20 O P Zr -","- C79 H62 B F20 O P Zr -","- C158 H124 B2 F40 O2 P2 Zr2 -","2","1","","Metters, Owen J.; Forrest, Sebastian J. K.; Sparkes, Hazel A.; Manners, Ian; Wass, Duncan F.","Small Molecule Activation by Intermolecular Zr(IV)-Phosphine Frustrated Lewis Pairs.","Journal of the American Chemical Society","2016","138","6","1994","2003","10.1021/jacs.5b12536","","","0.71073","MoKα","","0.0894","0.0461","","","0.0829","0.0975","","","","","","1.003","","","","has coordinates,has disorder","240598","2020-10-21","18:00:00",""
"4129998","13.4486","0.0011","10.8936","0.0009","18.8713","0.0016","90","","94.695","0.002","90","","2755.4","0.4","100","2","99.96","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C29 H31 Cl3 Fe N2 -","- C29 H31 Cl3 Fe N2 -","- C116 H124 Cl12 Fe4 N8 -","4","1","","Iovan, Diana A.; Betley, Theodore A.","Characterization of Iron-Imido Species Relevant for N-Group Transfer Chemistry.","Journal of the American Chemical Society","2016","138","6","1983","1993","10.1021/jacs.5b12582","","","0.71073","MoKα","","0.0585","0.0295","","","0.0486","0.0531","","","","","","0.874","","","","has coordinates","240600","2020-10-21","18:00:00",""
"4129999","12.1706","0.0018","16.847","0.003","19.035","0.003","90","","93.66","0.003","90","","3894.9","1.1","100","1","100.01","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C41 H47 Cl3 F Fe N3 -","- C41 H47 Cl3 F Fe N3 -","- C164 H188 Cl12 F4 Fe4 N12 -","4","1","","Iovan, Diana A.; Betley, Theodore A.","Characterization of Iron-Imido Species Relevant for N-Group Transfer Chemistry.","Journal of the American Chemical Society","2016","138","6","1983","1993","10.1021/jacs.5b12582","","","0.71073","MoKα","","0.0789","0.0559","","","0.1471","0.1632","","","","","","1.037","","","","has coordinates,has disorder","240600","2020-10-21","18:00:00",""
"4130000","12.748","0.0009","13.0508","0.0009","19.9343","0.0013","96.724","0.0013","96.731","0.0013","113.915","0.0012","2961","0.4","100","1","100.01","","","","","","","","","6","P -1","-P 1","2","","","","- C57 H56 Cl6 F6 Fe2 N5 -","- C57 H56 Cl6 F6 Fe2 N5 -","- C114 H112 Cl12 F12 Fe4 N10 -","2","1","","Iovan, Diana A.; Betley, Theodore A.","Characterization of Iron-Imido Species Relevant for N-Group Transfer Chemistry.","Journal of the American Chemical Society","2016","138","6","1983","1993","10.1021/jacs.5b12582","","","0.71073","MoKα","","0.1058","0.0614","","","0.168","0.1922","","","","","","1.058","","","","has coordinates","240600","2020-10-21","18:00:00",""
"4130001","13.6061","0.0006","31.1222","0.0014","17.3548","0.0007","90","","103.397","0.001","90","","7148.9","0.5","100","1","99.98","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C65 H63 Cl6 F12 Fe2 N6 -","- C65 H63 Cl6 F12 Fe2 N6 -","- C260 H252 Cl24 F48 Fe8 N24 -","4","1","","Iovan, Diana A.; Betley, Theodore A.","Characterization of Iron-Imido Species Relevant for N-Group Transfer Chemistry.","Journal of the American Chemical Society","2016","138","6","1983","1993","10.1021/jacs.5b12582","","","0.71073","MoKα","","0.1348","0.0784","","","0.1946","0.2255","","","","","","1.029","","","","has coordinates,has disorder","240600","2020-10-21","18:00:00",""
"4130002","22.108","0.003","11.9657","0.0017","25.005","0.004","90","","90","","90","","6614.8","1.7","100","1","99.99","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C32.5 H32.5 Cl2 F6 Fe N3 -","- C32.5 H32.5 Cl2 F6 Fe N3 -","- C260 H260 Cl16 F48 Fe8 N24 -","8","1","","Iovan, Diana A.; Betley, Theodore A.","Characterization of Iron-Imido Species Relevant for N-Group Transfer Chemistry.","Journal of the American Chemical Society","2016","138","6","1983","1993","10.1021/jacs.5b12582","","","0.71073","MoKα","","0.1072","0.0597","","","0.1439","0.1605","","","","","","0.954","","","","has coordinates","240600","2020-10-21","18:00:00",""
"4130003","12.267","0.004","12.613","0.004","13.807","0.004","76.462","0.004","82.7","0.004","71.185","0.004","1962.8","1.1","100","1","100.03","","","","","","","","","6","P -1","-P 1","2","","","","- C37 H35 Cl3 F6 Fe N3 -","- C37 H35 Cl3 F6 Fe N3 -","- C74 H70 Cl6 F12 Fe2 N6 -","2","1","","Iovan, Diana A.; Betley, Theodore A.","Characterization of Iron-Imido Species Relevant for N-Group Transfer Chemistry.","Journal of the American Chemical Society","2016","138","6","1983","1993","10.1021/jacs.5b12582","","","0.71073","MoKα","","0.1692","0.0923","","","0.2581","0.3026","","","","","","1.038","","","","has coordinates,has disorder","240600","2020-10-21","18:00:00",""
"4130004","15.064","0.002","17.537","0.003","11.077","0.003","90","","126.613","0.002","90","","2348.9","0.8","100","1","99.99","","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C23 H25 Cl4 Fe N2 -","- C23 H25 Cl4 Fe N2 -","- C92 H100 Cl16 Fe4 N8 -","4","1","","Iovan, Diana A.; Betley, Theodore A.","Characterization of Iron-Imido Species Relevant for N-Group Transfer Chemistry.","Journal of the American Chemical Society","2016","138","6","1983","1993","10.1021/jacs.5b12582","","","0.71073","MoKα","","0.0321","0.0271","","","0.0465","0.0478","","","","","","1.023","","","","has coordinates","240600","2020-10-21","18:00:00",""
"4130005","11.6153","0.0011","11.8003","0.001","16.1066","0.0015","73.913","0.002","88.916","0.002","85.031","0.002","2113.2","0.3","100","2","100.01","","","","","","","","","6","P -1","-P 1","2","","","","- C39 H33 Cl2 F12 Fe N4 -","- C39 H33 Cl2 F12 Fe N4 -","- C78 H66 Cl4 F24 Fe2 N8 -","2","1","","Iovan, Diana A.; Betley, Theodore A.","Characterization of Iron-Imido Species Relevant for N-Group Transfer Chemistry.","Journal of the American Chemical Society","2016","138","6","1983","1993","10.1021/jacs.5b12582","","","0.71073","MoKα","","0.0984","0.0587","","","0.1211","0.1322","","","","","","1.036","","","","has coordinates,has disorder","240600","2020-10-21","18:00:00",""
"4130006","13.793","0.003","15.003","0.003","17.037","0.002","110.736","0.01","109.193","0.011","94.824","0.014","3032.6","1.1","120","2","120","2","","","","","","","","7","P -1","-P 1","2","","","","- C80 H178 Cs2 O26 S2 Si6 U2 -","- C80 H178 Cs2 O26 S2 Si6 U2 -","- C80 H178 Cs2 O26 S2 Si6 U2 -","1","0.5","","Chatelain, Lucile; Scopelliti, Rosario; Mazzanti, Marinella","Synthesis and Structure of Nitride-Bridged Uranium(III) Complexes.","Journal of the American Chemical Society","2016","138","6","1784","1787","10.1021/jacs.5b12620","","","0.71073","MoKα","","0.1288","0.0836","","","0.2099","0.2552","","","","","","1.072","","","","has coordinates,has disorder","240601","2020-10-21","18:00:00",""
"4130007","14.155","0.003","29.331","0.007","27.558","0.005","90","","91.061","0.016","90","","11440","4","120","2","120","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C80 H178 Cs2 N O26 Si6 U2 -","- C80 H178 Cs2 N O26 Si6 U2 -","- C320 H712 Cs8 N4 O104 Si24 U8 -","4","1","","Chatelain, Lucile; Scopelliti, Rosario; Mazzanti, Marinella","Synthesis and Structure of Nitride-Bridged Uranium(III) Complexes.","Journal of the American Chemical Society","2016","138","6","1784","1787","10.1021/jacs.5b12620","","","0.71073","MoKα","","0.1196","0.0788","","","0.1712","0.1999","","","","","","1.136","","","","has coordinates","240602","2020-10-21","18:00:00",""
"4130008","14.215","0.002","17.0473","0.0014","24.193","0.003","90","","90","","90","","5862.6","1.2","100","2","100","2","","","","","","","","7","P n n 2","P 2 -2n","34","","","","- C72 H162 Cs3 N O24 Si6 U2 -","- C72 H162 Cs3 N O24 Si6 U2 -","- C144 H324 Cs6 N2 O48 Si12 U4 -","2","0.5","","Chatelain, Lucile; Scopelliti, Rosario; Mazzanti, Marinella","Synthesis and Structure of Nitride-Bridged Uranium(III) Complexes.","Journal of the American Chemical Society","2016","138","6","1784","1787","10.1021/jacs.5b12620","","","0.71073","MoKα","","0.084","0.0613","","","0.154","0.1756","","","","","","1.054","","","","has coordinates","240603","2020-10-21","18:00:00",""
"4130009","10.949","0.003","14.788","0.004","19.821","0.005","96.298","0.006","93.114","0.006","100.111","0.007","3131.5","1.4","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","","","- C140 H158 N10 O4 Si4 -","- C140 H158 N10 O4 Si4 -","- C140 H158 N10 O4 Si4 -","1","0.5","","Endres, Alexander H.; Schaffroth, Manuel; Paulus, Fabian; Reiss, Hilmar; Wadepohl, Hubert; Rominger, Frank; Krämer, Roland; Bunz, Uwe H. F.","Coronene-Containing N-Heteroarenes: 13 Rings in a Row.","Journal of the American Chemical Society","2016","138","6","1792","1795","10.1021/jacs.5b12642","","","0.71073","MoKα","","0.2401","0.1219","","","0.2765","0.3418","","","","","","1.078","","","","has coordinates,has disorder","240604","2020-10-21","18:00:00",""
"4130010","10.9819","0.0003","14.4594","0.0003","21.1642","0.0005","87.3478","0.0017","88.199","0.002","86.441","0.002","3349.25","0.14","120","1","120","1","","","","","","","","6","P -1","-P 1","2","","","","- C134 H144 Cl18 N10 O4 Si4 -","- C134 H144 Cl18 N10 O4 Si4 -","- C134 H144 Cl18 N10 O4 Si4 -","1","0.5","","Endres, Alexander H.; Schaffroth, Manuel; Paulus, Fabian; Reiss, Hilmar; Wadepohl, Hubert; Rominger, Frank; Krämer, Roland; Bunz, Uwe H. F.","Coronene-Containing N-Heteroarenes: 13 Rings in a Row.","Journal of the American Chemical Society","2016","138","6","1792","1795","10.1021/jacs.5b12642","","x-ray","1.54184","CuKα","","0.0962","0.0735","","","0.2041","0.2153","","","","","","1.032","","","","has coordinates","240605","2020-10-21","18:00:00",""
"4130011","8.16795","0.00014","17.8145","0.0003","23.4233","0.0004","79.0943","0.0015","89.6706","0.0014","77.4838","0.0015","3264.98","0.1","120","1","120","1","","","","","","","","5","P -1","-P 1","2","","","","- C140 H182 N10 O18 Si4 -","- C140 H182 N10 O18 Si4 -","- C140 H182 N10 O18 Si4 -","1","0.5","","Endres, Alexander H.; Schaffroth, Manuel; Paulus, Fabian; Reiss, Hilmar; Wadepohl, Hubert; Rominger, Frank; Krämer, Roland; Bunz, Uwe H. F.","Coronene-Containing N-Heteroarenes: 13 Rings in a Row.","Journal of the American Chemical Society","2016","138","6","1792","1795","10.1021/jacs.5b12642","","x-ray","1.54184","CuKα","","0.0824","0.0677","","","0.1802","0.1929","","","","","","1.034","","","","has coordinates,has disorder","240605","2020-10-21","18:00:00",""
"4130012","11.15","0.005","16.151","0.007","22.239","0.01","90","","104.421","0.007","90","","3879","3","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C37 H62 Co N6 O2 -","- C37 H62 Co N6 O2 -","- C148 H248 Co4 N24 O8 -","4","1","","Corcos, Amanda R.; Villanueva, Omar; Walroth, Richard C.; Sharma, Savita K.; Bacsa, John; Lancaster, Kyle M.; MacBeth, Cora E.; Berry, John F.","Oxygen Activation by Co(II) and a Redox Non-Innocent Ligand: Spectroscopic Characterization of a Radical-Co(II)-Superoxide Complex with Divergent Catalytic Reactivity.","Journal of the American Chemical Society","2016","138","6","1796","1799","10.1021/jacs.5b12643","","","0.71073","MoKα","","0.0721","0.0482","","","0.121","0.1353","","","","","","1.031","","","","has coordinates,has disorder","240606","2020-10-21","18:00:00",""
"4130013","36.8939","0.0006","22.066","0.0005","39.9832","0.0007","90","","102.216","0.0018","90","","31813.3","1.1","100.01","0.1","100.01","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C279 H178 Ag28 Au34 -","- C279 H178 Ag28 Au34 -","- C1116 H712 Ag112 Au136 -","4","1","","Wang, Yu; Wan, Xian-Kai; Ren, Liting; Su, Haifeng; Li, Gang; Malola, Sami; Lin, Shuichao; Tang, Zichao; Häkkinen, Hannu; Teo, Boon K.; Wang, Quan-Ming; Zheng, Nanfeng","Atomically Precise Alkynyl-Protected Metal Nanoclusters as a Model Catalyst: Observation of Promoting Effect of Surface Ligands on Catalysis by Metal Nanoparticles.","Journal of the American Chemical Society","2016","138","10","3278","3281","10.1021/jacs.5b12730","","x-ray","1.54184","CuKα","","0.0935","0.0604","","","0.1484","0.1666","","","","","","1.066","","","","has coordinates","240607","2020-10-21","18:00:00",""
"4130014","11.72284","0.00019","14.8569","0.0002","28.5647","0.0005","90","","90","","90","","4974.97","0.14","293","2","293","2","","","","","","","","8","P b c a","-P 2ac 2ab","61","","","","- C24 H21 B F4 Fe N5 O S -","- C24 H21 B F4 Fe N5 O S -","- C192 H168 B8 F32 Fe8 N40 O8 S8 -","8","1","","McQuilken, Alison C.; Matsumura, Hirotoshi; Dürr, Maximilian; Confer, Alex M.; Sheckelton, John P.; Siegler, Maxime A.; McQueen, Tyrel M.; Ivanović-Burmazović, Ivana; Moënne-Loccoz, Pierre; Goldberg, David P.","Photoinitiated Reactivity of a Thiolate-Ligated, Spin-Crossover Nonheme {FeNO}(7) Complex with Dioxygen.","Journal of the American Chemical Society","2016","138","9","3107","3117","10.1021/jacs.5b12741","","","1.54178","CuKα","","0.0637","0.049","","","0.1372","0.1496","","","","","","1.028","","","","has coordinates,has disorder","240608","2020-10-21","18:00:00",""
"4130015","14.701","0.005","14.717","0.005","22.163","0.007","73.645","0.003","72.336","0.003","62.544","0.003","3997","2","120","2","120","2","","","","","","","","7","P -1","-P 1","2","","","","- C89 H67 F12 N11 O6 P2 Ru -","- C89 H67 F12 N11 O6 P2 Ru -","- C178 H134 F24 N22 O12 P4 Ru2 -","2","1","","Nakamura, Takashi; Kimura, Hikaru; Okuhara, Takashi; Yamamura, Masaki; Nabeshima, Tatsuya","A Hierarchical Self-Assembly System Built Up from Preorganized Tripodal Helical Metal Complexes.","Journal of the American Chemical Society","2016","138","3","794","797","10.1021/jacs.5b12752","","","0.71073","MoKα","","0.1065","0.071","","","0.2001","0.2208","","","","","","1.36","","","","has coordinates","240609","2020-10-21","18:00:00",""
"4130016","13.6081","0.0005","9.9487","0.0004","9.4287","0.0003","90","","90","","90","","1276.48","0.08","173","0.1","173","0.1","","","","","","","","5","I m a 2","I 2 -2a","46","","","","- C8 H10 Cu N6 O7 -","- C8 H8 Cu N6 O7 -","- C32 H32 Cu4 N24 O28 -","4","0.5","","Dos Santos, Leonardo H. R.; Lanza, Arianna; Barton, Alyssa M.; Brambleby, Jamie; Blackmore, William J. A.; Goddard, Paul A.; Xiao, Fan; Williams, Robert C.; Lancaster, Tom; Pratt, Francis L.; Blundell, Stephen J.; Singleton, John; Manson, Jamie L.; Macchi, Piero","Experimental and Theoretical Electron Density Analysis of Copper Pyrazine Nitrate Quasi-Low-Dimensional Quantum Magnets.","Journal of the American Chemical Society","2016","138","7","2280","2291","10.1021/jacs.5b12817","","x-ray","0.71073","MoKα","","0.0699","0.0475","","","0.1007","0.1094","","","","","","1.057","","","","has coordinates","240610","2020-10-21","18:00:00",""
"4130017","6.70122","0.00007","5.11854","0.00005","11.63508","0.0001","90","","90","","90","","399.089","0.007","100","0.5","100","0.5","","","","","","","from Jamie L. Manson","5","P m n a","-P 2ac 2","53","","catena-(bis(μ~2~-pyrazine-N,N')-bis(nitrato-O,O')-copper(ii))","","- C4 H4 Cu N4 O6 -","- C4 H4 Cu N4 O6 -","- C8 H8 Cu2 N8 O12 -","2","0.25","","Dos Santos, Leonardo H. R.; Lanza, Arianna; Barton, Alyssa M.; Brambleby, Jamie; Blackmore, William J. A.; Goddard, Paul A.; Xiao, Fan; Williams, Robert C.; Lancaster, Tom; Pratt, Francis L.; Blundell, Stephen J.; Singleton, John; Manson, Jamie L.; Macchi, Piero","Experimental and Theoretical Electron Density Analysis of Copper Pyrazine Nitrate Quasi-Low-Dimensional Quantum Magnets.","Journal of the American Chemical Society","2016","138","7","2280","2291","10.1021/jacs.5b12817","","","0.7107","MoKα","","0.012","0.009","","","","0.026","","","","","","0.832","","","","has coordinates","240611","2020-10-21","18:00:00",""
"4130018","7.047","0.002","14.854","0.005","15.221","0.006","90","","97.455","0.01","90","","1579.8","0.9","150","2","150.03","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H8 B F5 O2 -","- C20 H8 B F5 O2 -","- C80 H32 B4 F20 O8 -","4","1","","Longobardi, Lauren E.; Liu, Lei; Grimme, Stefan; Stephan, Douglas W.","Stable Borocyclic Radicals via Frustrated Lewis Pair Hydrogenations.","Journal of the American Chemical Society","2016","138","8","2500","2503","10.1021/jacs.5b12823","","","0.71073","MoKα","","0.1157","0.0772","","","0.199","0.2236","","","","","","1.0968","","","","has coordinates","240612","2020-10-21","18:00:00",""
"4130019","13.1089","0.001","23.2919","0.0019","14.0746","0.0009","90","","99.583","0.004","90","","4237.4","0.5","149","2","149","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H8 B F10 O2 -","- C26 H8 B F10 O2 -","- C208 H64 B8 F80 O16 -","8","2","","Longobardi, Lauren E.; Liu, Lei; Grimme, Stefan; Stephan, Douglas W.","Stable Borocyclic Radicals via Frustrated Lewis Pair Hydrogenations.","Journal of the American Chemical Society","2016","138","8","2500","2503","10.1021/jacs.5b12823","","","0.71073","MoKα","","0.1681","0.0862","","","0.2303","0.279","","","","","","1.0764","","","","has coordinates","240613","2020-10-21","18:00:00",""
"4130020","11.0423","0.0008","16.9039","0.0013","21.2807","0.0014","90","","97.057","0.003","90","","3942.1","0.5","150","2","150.01","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C46 H38 B Co F10 O2 -","- C46 H38 B Co F10 O2 -","- C184 H152 B4 Co4 F40 O8 -","4","1","","Longobardi, Lauren E.; Liu, Lei; Grimme, Stefan; Stephan, Douglas W.","Stable Borocyclic Radicals via Frustrated Lewis Pair Hydrogenations.","Journal of the American Chemical Society","2016","138","8","2500","2503","10.1021/jacs.5b12823","","","0.71073","MoKα","","0.0886","0.0524","","","0.1267","0.1459","","","","","","1.0642","","","","has coordinates","240614","2020-10-21","18:00:00",""
"4130021","25.3133","0.0018","15.9662","0.0018","16.4","0.0013","90","","117.857","0.007","90","","5860.1","1","150","2","150.01","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C38 H18 B Co F10 O2 -","- C38 H18 B Co F10 O2 -","- C304 H144 B8 Co8 F80 O16 -","8","1","","Longobardi, Lauren E.; Liu, Lei; Grimme, Stefan; Stephan, Douglas W.","Stable Borocyclic Radicals via Frustrated Lewis Pair Hydrogenations.","Journal of the American Chemical Society","2016","138","8","2500","2503","10.1021/jacs.5b12823","","","0.71073","MoKα","","0.1099","0.047","","","0.0727","0.0905","","","","","","1.0326","","","","has coordinates","240615","2020-10-21","18:00:00",""
"4130022","17.3619","0.001","20.3198","0.0013","13.4759","0.0008","90","","90","","90","","4754.2","0.5","149","2","148.82","","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C28.5 H9 B Cl F10 O2 -","- C28.5 H9 B Cl F10 O2 -","- C228 H72 B8 Cl8 F80 O16 -","8","1","","Longobardi, Lauren E.; Liu, Lei; Grimme, Stefan; Stephan, Douglas W.","Stable Borocyclic Radicals via Frustrated Lewis Pair Hydrogenations.","Journal of the American Chemical Society","2016","138","8","2500","2503","10.1021/jacs.5b12823","","","0.71073","MoKα","","0.1277","0.0485","","","0.0885","0.1149","","","","","","1.0415","","","","has coordinates,has disorder","240616","2020-10-21","18:00:00",""
"4130023","10.9016","0.0011","11.8469","0.0011","11.8554","0.0012","84.408","0.005","80.506","0.005","88.459","0.005","1502.9","0.3","150","2","150","","","","","","","","","6","P -1","-P 1","2","","","","- C33 H10 B Cl2 F15 O2 -","- C33 H10 B Cl2 F15 O2 -","- C66 H20 B2 Cl4 F30 O4 -","2","1","","Longobardi, Lauren E.; Liu, Lei; Grimme, Stefan; Stephan, Douglas W.","Stable Borocyclic Radicals via Frustrated Lewis Pair Hydrogenations.","Journal of the American Chemical Society","2016","138","8","2500","2503","10.1021/jacs.5b12823","","","0.71073","MoKα","","0.0934","0.0459","","","0.0921","0.1112","","","","","","1.0285","","","","has coordinates","240617","2020-10-21","18:00:00",""
"4130024","26.8014","0.0017","26.8014","0.0017","30.1916","0.0019","90","","90","","90","","21687","2","100.15","","100.15","","","","","","","","","6","I 41/a :2","-I 4ad","88","","","","- C59.8 H66.2 Cl3 N4 Ni O -","- C54 H59 Cl3 N4 Ni O -","- C864 H944 Cl48 N64 Ni16 O16 -","16","1","","Martinez, Gabriel Espinosa; Ocampo, Cristian; Park, Yun Ji; Fout, Alison R.","Accessing Pincer Bis(carbene) Ni(IV) Complexes from Ni(II) via Halogen and Halogen Surrogates.","Journal of the American Chemical Society","2016","138","13","4290","4293","10.1021/jacs.5b12827","","x-ray","0.71073","MoKα","","0.0627","0.0432","","","0.118","0.1256","","","","","","1.056","","","","has coordinates,has disorder","240618","2020-10-21","18:00:00",""
"4130025","8.6747","0.0004","13.9513","0.0007","16.8043","0.0008","111.461","0.0018","101.546","0.002","97.071","0.002","1810.91","0.15","99.99","","99.99","","","","","","","","","5","P -1","-P 1","2","","","","- C44 H45 Br N4 Ni -","- C44 H45 Br N4 Ni -","- C88 H90 Br2 N8 Ni2 -","2","1","","Martinez, Gabriel Espinosa; Ocampo, Cristian; Park, Yun Ji; Fout, Alison R.","Accessing Pincer Bis(carbene) Ni(IV) Complexes from Ni(II) via Halogen and Halogen Surrogates.","Journal of the American Chemical Society","2016","138","13","4290","4293","10.1021/jacs.5b12827","","x-ray","0.71073","MoKα","","0.037","0.0299","","","0.0689","0.0725","","","","","","1.098","","","","has coordinates","240618","2020-10-21","18:00:00",""
"4130026","13.3193","0.0016","18.921","0.002","15.612","0.0019","90","","90.851","0.006","90","","3934","0.8","100.15","","100.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C44 H45 Br3 N4 Ni -","- C44 H45 Br3 N4 Ni -","- C176 H180 Br12 N16 Ni4 -","4","1","","Martinez, Gabriel Espinosa; Ocampo, Cristian; Park, Yun Ji; Fout, Alison R.","Accessing Pincer Bis(carbene) Ni(IV) Complexes from Ni(II) via Halogen and Halogen Surrogates.","Journal of the American Chemical Society","2016","138","13","4290","4293","10.1021/jacs.5b12827","","x-ray","0.71073","MoKα","","0.0249","0.02","","","0.0509","0.0524","","","","","","1.062","","","","has coordinates","240618","2020-10-21","18:00:00",""
"4130027","9.294","0.0008","11.7682","0.001","16.3112","0.0014","90","","90.1712","0.0012","90","","1784","0.3","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","Pd-complex","Pd-complex","","- C15 H22 N2 O4 Pd S2 -","- C15 H22 N2 O4 Pd S2 -","- C60 H88 N8 O16 Pd4 S8 -","4","1","","Sberegaeva, Anna V.; Zavalij, Peter Y.; Vedernikov, Andrei N.","Oxidation of a Monomethylpalladium(II) Complex with O2 in Water: Tuning Reaction Selectivity to Form Ethane, Methanol, or Methylhydroperoxide.","Journal of the American Chemical Society","2016","138","4","1446","1455","10.1021/jacs.5b12832","","","0.71073","MoKα","","0.0189","0.0176","","","0.0393","0.0398","","","","","","1","","","","has coordinates","240619","2020-10-21","18:00:00",""
"4130028","8.7745","0.0002","10.2125","0.0003","17.6501","0.0005","90","","90","","90","","1581.62","0.07","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C16 H16 N2 O5 S -","- C16 H16 N2 O5 S -","- C64 H64 N8 O20 S4 -","4","1","","Moreno, Jesus; Picazo, Elias; Morrill, Lucas A.; Smith, Joel M.; Garg, Neil K.","Enantioselective Total Syntheses of Akuammiline Alkaloids (+)-Strictamine, (-)-2(S)-Cathafoline, and (-)-Aspidophylline A.","Journal of the American Chemical Society","2016","138","4","1162","1165","10.1021/jacs.5b12880","","","1.54178","CuKα","","0.0234","0.0232","","","0.0577","0.0578","","","","","","1.071","","","","has coordinates","240620","2020-10-21","18:00:00",""
"4130029","11.7654","0.0004","10.6457","0.0004","29.5927","0.001","90","","97.818","0.002","90","","3672.1","0.2","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C45 H29 N4 O15 Zn -","- C45 H29 N4 O15 Zn -","- C180 H116 N16 O60 Zn4 -","4","1","","Zeng, Le; Liu, Tao; He, Cheng; Shi, Dongying; Zhang, Feili; Duan, Chunying","Organized Aggregation Makes Insoluble Perylene Diimide Efficient for the Reduction of Aryl Halides via Consecutive Visible Light-Induced Electron-Transfer Processes.","Journal of the American Chemical Society","2016","138","12","3958","3961","10.1021/jacs.5b12931","","","0.71073","MoKα","","0.1116","0.0691","","","0.1782","0.1942","","","","","","1.03","","","","has coordinates,has disorder","240621","2020-10-21","18:00:00",""
"4130030","22.5853","0.0015","18.2181","0.0013","22.6199","0.0016","90","","101.533","0.004","90","","9119.3","1.1","296","2","296","2","","","","","","","","5","C 1 2 1","C 2y","5","20120034","","","- C44 H32 Cl2 F12 Rh2 -","- C44 H32 Cl2 F12 Rh2 -","- C352 H256 Cl16 F96 Rh16 -","8","2","","Chen, Diao; Zhu, Dong-Xing; Xu, Ming-Hua","Rhodium(I)-Catalyzed Highly Enantioselective Insertion of Carbenoid into Si-H: Efficient Access to Functional Chiral Silanes.","Journal of the American Chemical Society","2016","138","5","1498","1501","10.1021/jacs.5b12960","","","0.71073","MoKα","","0.0733","0.0485","","","0.1177","0.1304","","","","","","0.965","","","","has coordinates","240622","2020-10-21","18:00:00",""
"4130031","19.7607","0.0018","10.0627","0.0009","20.2687","0.0018","90","","114.396","0.0011","90","","3670.5","0.6","133","2","133","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C21 H22 B O4.5 -","- C21 H22 B O4.5 -","- C168 H176 B8 O36 -","8","2","","Faizi, Darius J.; Issaian, Adena; Davis, Ashlee J.; Blum, Suzanne A.","Catalyst-Free Synthesis of Borylated Lactones from Esters via Electrophilic Oxyboration.","Journal of the American Chemical Society","2016","138","7","2126","2129","10.1021/jacs.5b12989","","","0.71073","MoKα","","0.0705","0.0538","","","0.1464","0.1611","","","","","","1.059","","","","has coordinates","240623","2020-10-21","18:00:00",""
"4130032","22.185","0.004","5.4792","0.0009","15.545","0.002","90","","108.489","0.005","90","","1792.1","0.5","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H19 N3 O2 -","- C22 H19 N3 O2 -","- C88 H76 N12 O8 -","4","1","","Hong, Miao; Tang, Xiaoyan; Falivene, Laura; Caporaso, Lucia; Cavallo, Luigi; Chen, Eugene Y.-X.","Proton-Transfer Polymerization by N-Heterocyclic Carbenes: Monomer and Catalyst Scopes and Mechanism for Converting Dimethacrylates into Unsaturated Polyesters.","Journal of the American Chemical Society","2016","138","6","2021","2035","10.1021/jacs.5b13019","","","0.71073","MoKα","","0.0494","0.034","","","0.0905","0.1104","","","","","","1.136","","","","has coordinates","240624","2020-10-21","18:00:00",""
"4130033","10.2142","0.0004","18.8081","0.0007","10.5146","0.0004","90","","90.0144","0.0018","90","","2019.96","0.13","120","2","120","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C23 H23 N3 O3 -","- C23 H23 N3 O3 -","- C92 H92 N12 O12 -","4","2","","Hong, Miao; Tang, Xiaoyan; Falivene, Laura; Caporaso, Lucia; Cavallo, Luigi; Chen, Eugene Y.-X.","Proton-Transfer Polymerization by N-Heterocyclic Carbenes: Monomer and Catalyst Scopes and Mechanism for Converting Dimethacrylates into Unsaturated Polyesters.","Journal of the American Chemical Society","2016","138","6","2021","2035","10.1021/jacs.5b13019","","","0.71073","MoKα","","0.0557","0.0426","","","0.1091","0.1393","","","","","","1.146","","","","has coordinates","240626","2020-10-21","18:00:00",""
"4130034","10.6171","0.0004","14.0098","0.0005","18.6989","0.0006","90","","94.495","0.001","90","","2772.78","0.17","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","TL5-SSS","","","- C33 H37 N O5 -","- C33 H37 N O5 -","- C132 H148 N4 O20 -","4","2","","Liu, Chun; Oblak, E. Zachary; Vander Wal, Mark N.; Dilger, Andrew K.; Almstead, Danielle K.; MacMillan, David W. C.","Oxy-Allyl Cation Catalysis: An Enantioselective Electrophilic Activation Mode.","Journal of the American Chemical Society","2016","138","7","2134","2137","10.1021/jacs.5b13041","","","1.54178","CuKα","","0.0361","0.0338","","","0.0965","0.0986","","","","","","1.07","","","","has coordinates","255262","2020-10-21","18:00:00",""
"4130035","22.756","0.003","5.9048","0.0008","27.03","0.003","90","","95.999","0.009","90","","3612.1","0.8","100","2","100","2","","","","","","","","5","I 1 2 1","I 2y","5","ZO-1-21","","","- C21 H20 Br N O2 -","- C21 H20 Br N O2 -","- C168 H160 Br8 N8 O16 -","8","2","","Liu, Chun; Oblak, E. Zachary; Vander Wal, Mark N.; Dilger, Andrew K.; Almstead, Danielle K.; MacMillan, David W. C.","Oxy-Allyl Cation Catalysis: An Enantioselective Electrophilic Activation Mode.","Journal of the American Chemical Society","2016","138","7","2134","2137","10.1021/jacs.5b13041","","","0.71073","MoKα","","0.0562","0.0338","","","0.0634","0.0666","","","","","","0.867","","","","has coordinates","240628","2020-10-21","18:00:00",""
"4130036","9.27","0.005","7.881","0.004","22.818","0.012","90","","99.868","0.012","90","","1642.3","1.5","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H17 I O4 -","- C18 H17 I O4 -","- C72 H68 I4 O16 -","4","1","","Jia, Kunfang; Zhang, Fuyuan; Huang, Hanchu; Chen, Yiyun","Visible-Light-Induced Alkoxyl Radical Generation Enables Selective C(sp(3))-C(sp(3)) Bond Cleavage and Functionalizations.","Journal of the American Chemical Society","2016","138","5","1514","1517","10.1021/jacs.5b13066","","","0.71073","MoKα","","0.0808","0.056","","","0.1302","0.1429","","","","","","1.026","","","","has coordinates","240629","2020-10-21","18:00:00",""
"4130037","31.0979","0.0007","20.9092","0.0005","32.2003","0.0007","90","","98.199","0.001","90","","20723.7","0.8","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","Palladium Carbonyl Phosphine Cluster","","","- C150 H296 O25.5 P12 Pd55 -","- C150 H296 O25.5 P12 Pd55 -","- C600 H1184 O102 P48 Pd220 -","4","0.5","","Erickson, Jeremiah D.; Mednikov, Evgueni G.; Ivanov, Sergei A.; Dahl, Lawrence F.","Isolation and Structural Characterization of a Mackay 55-Metal-Atom Two-Shell Icosahedron of Pseudo-Ih Symmetry, Pd55L12(μ3-CO)20 (L = PR3, R = Isopropyl): Comparative Analysis with Interior Two-Shell Icosahedral Geometries in Capped Three-Shell Pd145, Pt-Centered Four-Shell Pd-Pt M165, and Four-Shell Au133 Nanoclusters.","Journal of the American Chemical Society","2016","138","5","1502","1505","10.1021/jacs.5b13076","","","0.71073","MoKα","","0.0743","0.0442","","","0.1058","0.1285","","","","","","1.075","","","","has coordinates,has disorder","240630","2020-10-21","18:00:00",""
"4130038","19.1528","0.0007","25.4979","0.0009","19.907","0.0007","90","","93.43","0.002","90","","9704.3","0.6","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","palladium carbonylphosphine cluster","","","- C134 H266 O21 P12 Pd55 -","- C134 H266 O21 P12 Pd55 -","- C268 H532 O42 P24 Pd110 -","2","0.5","","Erickson, Jeremiah D.; Mednikov, Evgueni G.; Ivanov, Sergei A.; Dahl, Lawrence F.","Isolation and Structural Characterization of a Mackay 55-Metal-Atom Two-Shell Icosahedron of Pseudo-Ih Symmetry, Pd55L12(μ3-CO)20 (L = PR3, R = Isopropyl): Comparative Analysis with Interior Two-Shell Icosahedral Geometries in Capped Three-Shell Pd145, Pt-Centered Four-Shell Pd-Pt M165, and Four-Shell Au133 Nanoclusters.","Journal of the American Chemical Society","2016","138","5","1502","1505","10.1021/jacs.5b13076","","","1.54178","CuKα","","0.0408","0.0361","","","0.0991","0.1053","","","","","","1.033","","","","has coordinates,has disorder","240631","2020-10-21","18:00:00",""
"4130039","15.1689","0.0002","9.4736","0.0001","20.5469","0.0003","90","","102.81","0.0006","90","","2879.19","0.06","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H47 N6 O2 P -","- C26 H47 N6 O2 P -","- C104 H188 N24 O8 P4 -","4","1","","Buß, Florenz; Mehlmann, Paul; Mück-Lichtenfeld, Christian; Bergander, Klaus; Dielmann, Fabian","Reversible Carbon Dioxide Binding by Simple Lewis Base Adducts with Electron-Rich Phosphines.","Journal of the American Chemical Society","2016","138","6","1840","1843","10.1021/jacs.5b13116","","","0.71073","MoKα","","0.0449","0.0379","","","0.0991","0.1048","","","","","","1.041","","","","has coordinates","240632","2020-10-21","18:00:00",""
"4130040","18.29","0.0004","11.5237","0.0003","13.3929","0.0003","90","","109.359","0.001","90","","2663.2","0.11","100","2","100.03","","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C25 H47 N6 P -","- C25 H47 N6 P -","- C100 H188 N24 P4 -","4","1","","Buß, Florenz; Mehlmann, Paul; Mück-Lichtenfeld, Christian; Bergander, Klaus; Dielmann, Fabian","Reversible Carbon Dioxide Binding by Simple Lewis Base Adducts with Electron-Rich Phosphines.","Journal of the American Chemical Society","2016","138","6","1840","1843","10.1021/jacs.5b13116","","","0.71073","MoKα","","0.0285","0.028","","","0.0779","0.0784","","","","","","1.035","","","","has coordinates","240633","2020-10-21","18:00:00",""
"4130041","17.3449","0.0004","9.8012","0.0002","17.5758","0.0004","90","","96.5693","0.001","90","","2968.28","0.11","100","","100.02","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C25 H47 Au Cl N6 P -","- C25 H47 Au Cl N6 P -","- C100 H188 Au4 Cl4 N24 P4 -","4","1","","Buß, Florenz; Mehlmann, Paul; Mück-Lichtenfeld, Christian; Bergander, Klaus; Dielmann, Fabian","Reversible Carbon Dioxide Binding by Simple Lewis Base Adducts with Electron-Rich Phosphines.","Journal of the American Chemical Society","2016","138","6","1840","1843","10.1021/jacs.5b13116","","","0.71073","MoKα","","0.0255","0.0242","","","0.0554","0.0562","","","","","","1.052","","","","has coordinates","240634","2020-10-21","18:00:00",""
"4130042","10.7627","0.0002","11.3637","0.0002","14.0991","0.0002","70.7991","0.0007","70.3104","0.0008","88.7659","0.0007","1525.49","0.05","100","2","100.01","","","","","","","","","6","P -1","-P 1","2","","","","- C50 H94 Cl4 N12 P2 Pd2 -","- C50 H94 Cl4 N12 P2 Pd2 -","- C50 H94 Cl4 N12 P2 Pd2 -","1","0.5","","Buß, Florenz; Mehlmann, Paul; Mück-Lichtenfeld, Christian; Bergander, Klaus; Dielmann, Fabian","Reversible Carbon Dioxide Binding by Simple Lewis Base Adducts with Electron-Rich Phosphines.","Journal of the American Chemical Society","2016","138","6","1840","1843","10.1021/jacs.5b13116","","","0.71073","MoKα","","0.0305","0.0257","","","0.0582","0.0603","","","","","","1.041","","","","has coordinates","240635","2020-10-21","18:00:00",""
"4130043","11.723","0.002","16.048","0.003","28.56","0.006","90","","90","","90","","5373","1.8","120","2","120","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C25 H42 Mn N O2 P2 -","- C25 H42 Mn N O2 P2 -","- C200 H336 Mn8 N8 O16 P16 -","8","1","","Nerush, Alexander; Vogt, Matthias; Gellrich, Urs; Leitus, Gregory; Ben-David, Yehoshoa; Milstein, David","Template Catalysis by Metal-Ligand Cooperation. C-C Bond Formation via Conjugate Addition of Non-activated Nitriles under Mild, Base-free Conditions Catalyzed by a Manganese Pincer Complex.","Journal of the American Chemical Society","2016","138","22","6985","6997","10.1021/jacs.5b13208","","","0.71073","MoKα","","0.0492","0.0365","","","0.0929","0.0994","","","","","","1.051","","","","has coordinates","240636","2020-10-21","18:00:00",""
"4130044","11.956","0.002","12.902","0.003","13.4","0.003","116.17","0.03","91.63","0.02","98.83","0.03","1822.4","0.9","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","","","- C37 H57 Mn N2 O3 P2 -","- C37 H57 Mn N2 O3 P2 -","- C74 H114 Mn2 N4 O6 P4 -","2","1","","Nerush, Alexander; Vogt, Matthias; Gellrich, Urs; Leitus, Gregory; Ben-David, Yehoshoa; Milstein, David","Template Catalysis by Metal-Ligand Cooperation. C-C Bond Formation via Conjugate Addition of Non-activated Nitriles under Mild, Base-free Conditions Catalyzed by a Manganese Pincer Complex.","Journal of the American Chemical Society","2016","138","22","6985","6997","10.1021/jacs.5b13208","","","0.71073","MoKα","","0.0595","0.043","","","0.1066","0.1154","","","","","","1.054","","","","has coordinates","240636","2020-10-21","18:00:00",""
"4130045","24.2059","0.0013","25.05","0.0011","42.793","0.0019","94.394","0.003","91.966","0.003","115.651","0.002","23256","2","100","2","100","2","","","","","","","","5","P -1","-P 1","2","dg_03","dg_03_0m","","- C408 H357 In37 O102 P20 -","- C408 H357 In37 O102 P20 -","- C816 H714 In74 O204 P40 -","2","1","","Gary, Dylan C.; Flowers, Sarah E.; Kaminsky, Werner; Petrone, Alessio; Li, Xiaosong; Cossairt, Brandi M.","Single-Crystal and Electronic Structure of a 1.3 nm Indium Phosphide Nanocluster.","Journal of the American Chemical Society","2016","138","5","1510","1513","10.1021/jacs.5b13214","","","0.71073","MoKα","","0.179","0.1109","","","0.2992","0.3499","","","","","","1.133","","","","has coordinates,has disorder","240637","2020-10-21","18:00:00",""
"4130046","23.5228","0.0011","24.1862","0.0012","43.037","0.0019","84.905","0.003","88.006","0.003","63.079","0.003","21744.9","1.9","100","2","100","2","","","","","","","","5","P -1","-P 1","2","dg_052615","dg_052615","","- C408 H359 In37 O103 P20 -","- C408 H359 In37 O103 P20 -","- C816 H718 In74 O206 P40 -","2","1","","Gary, Dylan C.; Flowers, Sarah E.; Kaminsky, Werner; Petrone, Alessio; Li, Xiaosong; Cossairt, Brandi M.","Single-Crystal and Electronic Structure of a 1.3 nm Indium Phosphide Nanocluster.","Journal of the American Chemical Society","2016","138","5","1510","1513","10.1021/jacs.5b13214","","","0.71073","MoKα","","0.1935","0.1283","","","0.3359","0.3771","","","","","","1.205","","","","has coordinates,has disorder","240638","2020-10-21","18:00:00",""
"4130047","22.245","0.002","9.3234","0.0009","8.4228","0.0008","90","","90","","90","","1746.9","0.3","100","2","100","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C22 H20 N2 O -","- C22 H20 N2 O -","- C88 H80 N8 O4 -","4","1","","Paul, Mathias; Breugst, Martin; Neudörfl, Jörg-Martin; Sunoj, Raghavan B.; Berkessel, Albrecht","Keto-Enol Thermodynamics of Breslow Intermediates.","Journal of the American Chemical Society","2016","138","15","5044","5051","10.1021/jacs.5b13236","","","0.71073","MoKα","","0.1319","0.0456","","","0.0673","0.0837","","","","","","0.818","","","","has coordinates","240639","2020-10-21","18:00:00",""
"4130048","7.5391","0.001","19.828","0.003","5.4014","0.0006","90","","90","","90","","807.43","0.19","100","2","100","2","","","","","","","","4","P c c 2","P 2 -2c","27","","","","- C8 H7 Br O3 -","- C8 H7 Br O3 -","- C32 H28 Br4 O12 -","4","1","","Paul, Mathias; Breugst, Martin; Neudörfl, Jörg-Martin; Sunoj, Raghavan B.; Berkessel, Albrecht","Keto-Enol Thermodynamics of Breslow Intermediates.","Journal of the American Chemical Society","2016","138","15","5044","5051","10.1021/jacs.5b13236","","","0.71073","MoKα","","0.0816","0.0565","","","0.1349","0.1624","","","","","","1.108","","","","has coordinates","240640","2020-10-21","18:00:00",""
"4130049","8.5877","0.001","12.6416","0.0014","14.4046","0.0016","109.408","0.003","101.699","0.003","100.565","0.003","1390.1","0.3","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C39 H27 N O3 -","- C39 H27 N O3 -","- C78 H54 N2 O6 -","2","1","","Mondal, Bijnaneswar; Acharyya, Koushik; Howlader, Prodip; Mukherjee, Partha Sarathi","Molecular Cage Impregnated Palladium Nanoparticles: Efficient, Additive-Free Heterogeneous Catalysts for Cyanation of Aryl Halides.","Journal of the American Chemical Society","2016","138","5","1709","1716","10.1021/jacs.5b13307","","","0.71073","MoKα","","0.07","0.0421","","","0.1096","0.1222","","","","","","0.871","","","","has coordinates","240641","2020-10-21","18:00:00",""
"4130050","46.0575","0.0006","20.9442","0.0003","14.1001","0.0003","90","","90","","90","","13601.5","0.4","293","2","293","2","","","","","","","","5","C 2 2 2","C 2 2","21","","","","- C65 H38 Cu4 N12 O20 -","- C65 H38 Cu4 N12 O20 -","- C260 H152 Cu16 N48 O80 -","4","0.5","","Li, Pei-Zhou; Wang, Xiao-Jun; Liu, Jia; Lim, Jie Sheng; Zou, Ruqiang; Zhao, Yanli","A Triazole-Containing Metal-Organic Framework as a Highly Effective and Substrate Size-Dependent Catalyst for CO2 Conversion.","Journal of the American Chemical Society","2016","138","7","2142","2145","10.1021/jacs.5b13335","","","1.54178","CuKα","","0.0381","0.0314","","","0.077","0.0797","","","","","","1.021","","","","has coordinates","240642","2020-10-21","18:00:00",""
"4130051","5.8781","0.0003","10.3144","0.0006","21.1393","0.0012","90","","94.3996","0.0011","90","","1277.88","0.12","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C28 H28 Br N Si -","- C28 H28 Br N Si -","- C56 H56 Br2 N2 Si2 -","2","1","","Paioti, Paulo H. S.; Abboud, Khalil A.; Aponick, Aaron","Catalytic Enantioselective Synthesis of Amino Skipped Diynes.","Journal of the American Chemical Society","2016","138","7","2150","2153","10.1021/jacs.5b13387","","","0.71073","MoKα","","0.0193","0.0182","","","0.0513","0.0575","","","","","","1.121","","","","has coordinates","240643","2020-10-21","18:00:00",""
"4130052","10.473","0.009","22.252","0.019","7.486","0.006","90","","90","","90","","1745","3","100","2","100.15","","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C17 H18 Cl2 Fe N2 -","- C17 H18 Cl2 Fe N2 -","- C68 H72 Cl8 Fe4 N8 -","4","1","","Thacker, Nathan C.; Lin, Zekai; Zhang, Teng; Gilhula, James C.; Abney, Carter W.; Lin, Wenbin","Robust and Porous β-Diketiminate-Functionalized Metal-Organic Frameworks for Earth-Abundant-Metal-Catalyzed C-H Amination and Hydrogenation.","Journal of the American Chemical Society","2016","138","10","3501","3509","10.1021/jacs.5b13394","","","0.41328","synchrotronradiation","","0.1104","0.0551","","","0.1016","0.1159","","","","","","1.016","","","","has coordinates,has disorder","240644","2020-10-21","18:00:00",""
"4130053","10.305","0.002","22.491","0.004","7.4571","0.0015","90","","90","","90","","1728.3","0.6","100","2","100.15","","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C17 H18 Cl2 Co N2 -","- C17 H18 Cl2 Co N2 -","- C68 H72 Cl8 Co4 N8 -","4","1","","Thacker, Nathan C.; Lin, Zekai; Zhang, Teng; Gilhula, James C.; Abney, Carter W.; Lin, Wenbin","Robust and Porous β-Diketiminate-Functionalized Metal-Organic Frameworks for Earth-Abundant-Metal-Catalyzed C-H Amination and Hydrogenation.","Journal of the American Chemical Society","2016","138","10","3501","3509","10.1021/jacs.5b13394","","","0.41328","synchrotronradiation","","0.0806","0.0516","","","0.1033","0.1135","","","","","","1.028","","","","has coordinates","240645","2020-10-21","18:00:00",""
"4130054","22.0354","0.0003","22.0354","0.0003","22.0354","0.0003","90","","90","","90","","10699.5","0.3","296","2","296","2","","","","","","","","6","P -4 3 n","P -4n 2 3","218","","","","- C24 H16 Ga Mg2 N3 O16 -","- C24 H9 Ga0.99 Mg2.01 N3 O16 -","- C192 H72 Ga7.92 Mg16.08 N24 O128 -","8","0.333333","","Zhai, Quan-Guo; Bu, Xianhui; Mao, Chengyu; Zhao, Xiang; Feng, Pingyun","Systematic and Dramatic Tuning on Gas Sorption Performance in Heterometallic Metal-Organic Frameworks.","Journal of the American Chemical Society","2016","138","8","2524","2527","10.1021/jacs.5b13491","","","0.71073","MoKα","","0.0703","0.0512","","","0.1161","0.1228","","","","","","1.014","","","","has coordinates","240646","2020-10-21","18:00:00",""
"4130055","22.2973","0.0004","22.2973","0.0004","22.2973","0.0004","90","","90","","90","","11085.5","0.3","296","2","296","2","","","","","","","","6","P -4 3 n","P -4n 2 3","218","","","","- C24 H16 Co2 In N3 O16 -","- C24 H9 Co2.01 In0.99 N3 O16 -","- C192 H72 Co16.08 In7.92 N24 O128 -","8","0.333333","","Zhai, Quan-Guo; Bu, Xianhui; Mao, Chengyu; Zhao, Xiang; Feng, Pingyun","Systematic and Dramatic Tuning on Gas Sorption Performance in Heterometallic Metal-Organic Frameworks.","Journal of the American Chemical Society","2016","138","8","2524","2527","10.1021/jacs.5b13491","","","0.71073","MoKα","","0.0256","0.0242","","","0.068","0.0685","","","","","","1.037","","","","has coordinates","240646","2020-10-21","18:00:00",""
"4130056","22.3051","0.0005","22.3051","0.0005","22.3051","0.0005","90","","90","","90","","11097.2","0.4","296","2","296","2","","","","","","","","6","P -4 3 n","P -4n 2 3","218","","","","- C24 H16 In Mg2 N3 O16 -","- C24 H9 In0.99 Mg2.01 N3 O16 -","- C192 H72 In7.92 Mg16.08 N24 O128 -","8","0.333333","","Zhai, Quan-Guo; Bu, Xianhui; Mao, Chengyu; Zhao, Xiang; Feng, Pingyun","Systematic and Dramatic Tuning on Gas Sorption Performance in Heterometallic Metal-Organic Frameworks.","Journal of the American Chemical Society","2016","138","8","2524","2527","10.1021/jacs.5b13491","","","0.71073","MoKα","","0.0418","0.0359","","","0.0877","0.0895","","","","","","1.084","","","","has coordinates","240646","2020-10-21","18:00:00",""
"4130057","22.4704","0.0002","22.4704","0.0002","22.4704","0.0002","90","","90","","90","","11345.7","0.17","296","2","296","2","","","","","","","","6","P -4 3 n","P -4n 2 3","218","","","","- C24 H16 In Mn2 N3 O16 -","- C24 H9 In0.99 Mn2.01 N3 O16 -","- C192 H72 In7.92 Mn16.08 N24 O128 -","8","0.333333","","Zhai, Quan-Guo; Bu, Xianhui; Mao, Chengyu; Zhao, Xiang; Feng, Pingyun","Systematic and Dramatic Tuning on Gas Sorption Performance in Heterometallic Metal-Organic Frameworks.","Journal of the American Chemical Society","2016","138","8","2524","2527","10.1021/jacs.5b13491","","","0.71073","MoKα","","0.0336","0.0306","","","0.0809","0.082","","","","","","1.09","","","","has coordinates","240646","2020-10-21","18:00:00",""
"4130058","22.1152","0.0001","22.1152","0.0001","22.1152","0.0001","90","","90","","90","","10816.2","0.08","296","2","296","2","","","","","","","","6","P -4 3 n","P -4n 2 3","218","","","","- C24 H16 In N3 Ni2 O16 -","- C24 H9 In0.99 N3 Ni2.01 O16 -","- C192 H72 In7.92 N24 Ni16.08 O128 -","8","0.333333","","Zhai, Quan-Guo; Bu, Xianhui; Mao, Chengyu; Zhao, Xiang; Feng, Pingyun","Systematic and Dramatic Tuning on Gas Sorption Performance in Heterometallic Metal-Organic Frameworks.","Journal of the American Chemical Society","2016","138","8","2524","2527","10.1021/jacs.5b13491","","","0.71073","MoKα","","0.0383","0.0366","","","0.1033","0.104","","","","","","1.06","","","","has coordinates","240646","2020-10-21","18:00:00",""
"4130059","21.9692","0.0007","21.9692","0.0007","21.9692","0.0007","90","","90","","90","","10603.3","0.6","296","2","296","2","","","","","","","","6","P -4 3 n","P -4n 2 3","218","","","","- C24 H16 Mg2 N3 O16 V -","- C24 H9 Mg2.01 N3 O16 V0.99 -","- C192 H72 Mg16.08 N24 O128 V7.92 -","8","0.333333","","Zhai, Quan-Guo; Bu, Xianhui; Mao, Chengyu; Zhao, Xiang; Feng, Pingyun","Systematic and Dramatic Tuning on Gas Sorption Performance in Heterometallic Metal-Organic Frameworks.","Journal of the American Chemical Society","2016","138","8","2524","2527","10.1021/jacs.5b13491","","","0.71073","MoKα","","0.0463","0.0411","","","0.0989","0.101","","","","","","1.075","","","","has coordinates","240646","2020-10-21","18:00:00",""
"4130060","21.2783","0.0016","6.1728","0.0004","18.1174","0.0013","90","","116.907","0.009","90","","2122","0.3","103.2","","103.2","","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C25 H27 N O2 -","- C25 H27 N O2 -","- C100 H108 N4 O8 -","4","1","","Wu, Jicheng; Zhao, Changgui; Wang, Jian","Enantioselective Intermolecular Enamide-Aldehyde Cross-Coupling Catalyzed by Chiral N-Heterocyclic Carbenes.","Journal of the American Chemical Society","2016","138","14","4706","4709","10.1021/jacs.5b13501","","","1.5418","CuKα","","0.0476","0.0427","","","0.1077","0.1126","","","","","","1.032","","","","has coordinates","240647","2020-10-21","18:00:00",""
"4130061","16.3695","0.0003","32.1947","0.0006","25.1628","0.0005","90","","95.3565","0.0007","90","","13203.2","0.4","93","","93","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C138 H149 Cl2 N2 O12 Rh2 -","- C138 H149 Cl2 N2 O12 Rh2 -","- C552 H596 Cl8 N8 O48 Rh8 -","4","1","","Sanada, Kazuma; Ube, Hitoshi; Shionoya, Mitsuhiko","Rotational Control of a Dirhodium-Centered Supramolecular Four-Gear System by Ligand Exchange.","Journal of the American Chemical Society","2016","138","9","2945","2948","10.1021/jacs.5b13515","","","0.71075","MoKα","","0.0747","0.0543","","","0.1484","0.1603","","","","","","1.027","","","","has coordinates","240648","2020-10-21","18:00:00",""
"4130062","27.186","0.0005","27.8325","0.0005","33.4902","0.0006","99.9773","0.0007","105.885","0.0007","117.467","0.0007","20250","0.7","93","","93","","","","","","","","","5","P -1","-P 1","2","","","","- C122 H118 N2 O8 Rh2 -","- C122 H115.667 N2 O8 Rh2 -","- C732 H694 N12 O48 Rh12 -","6","3","","Sanada, Kazuma; Ube, Hitoshi; Shionoya, Mitsuhiko","Rotational Control of a Dirhodium-Centered Supramolecular Four-Gear System by Ligand Exchange.","Journal of the American Chemical Society","2016","138","9","2945","2948","10.1021/jacs.5b13515","","","0.71075","MoKα","","","0.0732","","","","0.2144","","","","","","0.974","","","","has coordinates","240649","2020-10-21","18:00:00",""
"4130063","39.8848","0.0008","17.5558","0.0003","39.2586","0.0007","90","","118.601","0.0007","90","","24134.9","0.8","93","","93","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C120 H114 N2 O8 Rh2 -","- C120 H114 N2 O8 Rh2 -","- C960 H912 N16 O64 Rh16 -","8","1","","Sanada, Kazuma; Ube, Hitoshi; Shionoya, Mitsuhiko","Rotational Control of a Dirhodium-Centered Supramolecular Four-Gear System by Ligand Exchange.","Journal of the American Chemical Society","2016","138","9","2945","2948","10.1021/jacs.5b13515","","","0.71075","MoKα","","0.0935","0.0584","","","0.1595","0.192","","","","","","1.058","","","","has coordinates","240650","2020-10-21","18:00:00",""
"4130064","20.7033","0.0006","20.7033","0.0006","43.9483","0.0013","90","","90","","90","","18837.4","1","93","","93","","","","","","","","","4","I 41/a :2","-I 4ad","88","","","","- C116 H120 O10 Rh2 -","- C116 H120 O10 Rh2 -","- C928 H960 O80 Rh16 -","8","0.5","","Sanada, Kazuma; Ube, Hitoshi; Shionoya, Mitsuhiko","Rotational Control of a Dirhodium-Centered Supramolecular Four-Gear System by Ligand Exchange.","Journal of the American Chemical Society","2016","138","9","2945","2948","10.1021/jacs.5b13515","","","0.71075","MoKα","","","0.0508","","","","0.1465","","","","","","1.071","","","","has coordinates","240651","2020-10-21","18:00:00",""
"4130065","17.3805","0.0005","25.1289","0.0007","25.2907","0.0008","90","","98.602","0.0008","90","","10921.5","0.6","93","","93","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C127 H137 Cl3 N4 O9 Rh2 -","- C127 H131 Cl3 N4 O9 Rh2 -","- C508 H524 Cl12 N16 O36 Rh8 -","4","1","","Sanada, Kazuma; Ube, Hitoshi; Shionoya, Mitsuhiko","Rotational Control of a Dirhodium-Centered Supramolecular Four-Gear System by Ligand Exchange.","Journal of the American Chemical Society","2016","138","9","2945","2948","10.1021/jacs.5b13515","","","0.71075","MoKα","","","0.0869","","","","0.2291","","","","","","1.022","","","","has coordinates","240652","2020-10-21","18:00:00",""
"4130066","18.3091","0.0005","21.6571","0.0004","27.5325","0.0006","90","","90","","90","","10917.2","0.4","93","","93","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C126 H130 N2 O10 Rh2 -","- C126 H130 N2 O10 Rh2 -","- C504 H520 N8 O40 Rh8 -","4","1","","Sanada, Kazuma; Ube, Hitoshi; Shionoya, Mitsuhiko","Rotational Control of a Dirhodium-Centered Supramolecular Four-Gear System by Ligand Exchange.","Journal of the American Chemical Society","2016","138","9","2945","2948","10.1021/jacs.5b13515","","","0.71075","MoKα","","0.1388","0.0735","","","0.1442","0.1808","","","","","","1.059","","","","has coordinates","240653","2020-10-21","18:00:00",""
"4130067","13.1263","0.0011","12.6361","0.001","19.5781","0.0012","90","","100.158","0.003","90","","3196.4","0.4","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C32 H50 Mn N O3 P2 -","- C32 H50 Mn N O3 P2 -","- C128 H200 Mn4 N4 O12 P8 -","4","1","","Mukherjee, Arup; Nerush, Alexander; Leitus, Gregory; Shimon, Linda J. W.; Ben David, Yehoshoa; Espinosa Jalapa, Noel Angel; Milstein, David","Manganese-Catalyzed Environmentally Benign Dehydrogenative Coupling of Alcohols and Amines to Form Aldimines and H2: A Catalytic and Mechanistic Study.","Journal of the American Chemical Society","2016","138","13","4298","4301","10.1021/jacs.5b13519","","","0.71073","MoKα","","0.062","0.0443","","","0.0932","0.1007","","","","","","1.032","","","","has coordinates","240654","2020-10-21","18:00:00",""
"4130068","8.6891","0.0017","10.049","0.002","18.36","0.004","91.73","0.03","92.06","0.03","103.07","0.03","1559.4","0.6","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C32 H48 Mn N O3 P2 -","- C32 H48 Mn N O3 P2 -","- C64 H96 Mn2 N2 O6 P4 -","2","1","","Mukherjee, Arup; Nerush, Alexander; Leitus, Gregory; Shimon, Linda J. W.; Ben David, Yehoshoa; Espinosa Jalapa, Noel Angel; Milstein, David","Manganese-Catalyzed Environmentally Benign Dehydrogenative Coupling of Alcohols and Amines to Form Aldimines and H2: A Catalytic and Mechanistic Study.","Journal of the American Chemical Society","2016","138","13","4298","4301","10.1021/jacs.5b13519","","","0.71073","MoKα","","0.0899","0.076","","","0.1715","0.1764","","","","","","1.228","","","","has coordinates","240654","2020-10-21","18:00:00",""
"4130069","11.819","0.002","14.961","0.003","15.364","0.003","90","","90","","90","","2716.7","0.9","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C25 H44 Mn N O2 P2 -","- C25 H44 Mn N O2 P2 -","- C100 H176 Mn4 N4 O8 P8 -","4","1","","Mukherjee, Arup; Nerush, Alexander; Leitus, Gregory; Shimon, Linda J. W.; Ben David, Yehoshoa; Espinosa Jalapa, Noel Angel; Milstein, David","Manganese-Catalyzed Environmentally Benign Dehydrogenative Coupling of Alcohols and Amines to Form Aldimines and H2: A Catalytic and Mechanistic Study.","Journal of the American Chemical Society","2016","138","13","4298","4301","10.1021/jacs.5b13519","","","0.71073","MoKα","","0.07","0.0552","","","0.1281","0.1354","","","","","","1.022","","","","has coordinates,has disorder","240654","2020-10-21","18:00:00",""
"4130070","8.8088","0.0005","9.7607","0.0005","13.1099","0.0008","88.133","0.004","78.48","0.005","84.582","0.004","1099.44","0.11","298","","298","","","","","","","","","5","P -1","-P 1","2","","GTA Monomer","","- C22 H21 Cl N6 O3 -","- C22 H21 Cl N6 O3 -","- C44 H42 Cl2 N12 O6 -","2","1","","Mitra, Shouvik; Kandambeth, Sharath; Biswal, Bishnu P.; Khayum M, Abdul; Choudhury, Chandan K.; Mehta, Mihir; Kaur, Gagandeep; Banerjee, Subhrashis; Prabhune, Asmita; Verma, Sandeep; Roy, Sudip; Kharul, Ulhas K.; Banerjee, Rahul","Self-Exfoliated Guanidinium-Based Ionic Covalent Organic Nanosheets (iCONs).","Journal of the American Chemical Society","2016","138","8","2823","2828","10.1021/jacs.5b13533","","x-ray","0.71073","MoKα","","0.0897","0.0592","","","0.1408","0.1631","","","","","","1.073","","","","has coordinates","240656","2020-10-21","18:00:00",""
"4130071","7.7196","0.0005","7.7196","0.0005","6.2784","0.0006","90","","90","","120","","324.02","0.04","298","","298","","","","","","","","","4","P 63/m","-P 6c","176","","GT-Br","","- C H6 Br N6 -","- C H6 Br N6 -","- C2 H12 Br2 N12 -","2","0.166667","","Mitra, Shouvik; Kandambeth, Sharath; Biswal, Bishnu P.; Khayum M, Abdul; Choudhury, Chandan K.; Mehta, Mihir; Kaur, Gagandeep; Banerjee, Subhrashis; Prabhune, Asmita; Verma, Sandeep; Roy, Sudip; Kharul, Ulhas K.; Banerjee, Rahul","Self-Exfoliated Guanidinium-Based Ionic Covalent Organic Nanosheets (iCONs).","Journal of the American Chemical Society","2016","138","8","2823","2828","10.1021/jacs.5b13533","","x-ray","0.71073","MoKα","","0.0607","0.0506","","","0.124","0.1369","","","","","","1.087","","","","has coordinates","240657","2020-10-21","18:00:00",""
"4130072","11.8285","0.0019","11.8866","0.0019","22.494","0.004","90","","90","","90","","3162.7","0.9","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C34 H50 B N4 O0.58 P -","- C34 H50 B N4 O0.582 P -","- C136 H200 B4 N16 O2.328 P4 -","4","1","","Mummadi, Suresh; Unruh, Daniel K.; Zhao, Jiyang; Li, Shuhua; Krempner, Clemens","""Inverse"" Frustrated Lewis Pairs‒Activation of Dihydrogen with Organosuperbases and Moderate to Weak Lewis Acids.","Journal of the American Chemical Society","2016","138","10","3286","3289","10.1021/jacs.5b13545","","","0.71073","MoKα","","0.0707","0.0465","","","0.0903","0.1004","","","","","","1.013","","","","has coordinates,has disorder","240658","2020-10-21","18:00:00",""
"4130073","9.063","0.006","12.103","0.008","18.177","0.011","101.964","0.008","92.065","0.007","108.926","0.006","1834","2","170","2","170","2","","","","","","","","6","P -1","-P 1","2","","","","- C37 H58 B D3 N4 P -","- C34 H58 B N4 P -","- C68 H116 B2 N8 P2 -","2","1","","Mummadi, Suresh; Unruh, Daniel K.; Zhao, Jiyang; Li, Shuhua; Krempner, Clemens","""Inverse"" Frustrated Lewis Pairs‒Activation of Dihydrogen with Organosuperbases and Moderate to Weak Lewis Acids.","Journal of the American Chemical Society","2016","138","10","3286","3289","10.1021/jacs.5b13545","","","0.71073","MoKα","","0.0845","0.0586","","","0.1475","0.165","","","","","","1.036","","","","has coordinates","240658","2020-10-21","18:00:00",""
"4130074","11.0056","0.001","11.0056","0.001","15.0573","0.0019","90","","90","","120","","1579.4","0.3","100","2","100","2","","","","","","","","5","P -3","-P 3","147","","","","- C33 H50 B N4 P -","- C33 H50 B N4 P -","- C66 H100 B2 N8 P2 -","2","0.333333","","Mummadi, Suresh; Unruh, Daniel K.; Zhao, Jiyang; Li, Shuhua; Krempner, Clemens","""Inverse"" Frustrated Lewis Pairs‒Activation of Dihydrogen with Organosuperbases and Moderate to Weak Lewis Acids.","Journal of the American Chemical Society","2016","138","10","3286","3289","10.1021/jacs.5b13545","","","0.71073","MoKα","","0.0515","0.0432","","","0.114","0.1205","","","","","","1.08","","","","has coordinates,has disorder","240658","2020-10-21","18:00:00",""
"4130075","14.2996","0.0009","14.2996","0.0009","14.2996","0.0009","90","","90","","90","","2924","0.3","100","2","100","2","","","","","","","","6","P 21 3","P 2ac 2ab 3","198","","","","- C26.45 H57.09 B N4 O0.86 P -","- C22.9992 H50.9986 B0.9999 N4 P -","- C91.9968 H203.994 B3.9996 N16 P4 -","4","0.333333","","Mummadi, Suresh; Unruh, Daniel K.; Zhao, Jiyang; Li, Shuhua; Krempner, Clemens","""Inverse"" Frustrated Lewis Pairs‒Activation of Dihydrogen with Organosuperbases and Moderate to Weak Lewis Acids.","Journal of the American Chemical Society","2016","138","10","3286","3289","10.1021/jacs.5b13545","","","0.71073","MoKα","","0.0496","0.0428","","","0.1142","0.1209","","","","","","1.054","","","","has coordinates,has disorder","240658","2020-10-21","18:00:00",""
"4130076","10.6056","0.0007","11.5564","0.0008","15.585","0.001","82.8305","0.001","83.6334","0.001","83.687","0.001","1874.5","0.2","200","2","200","2","","","","","","","","4","P -1","-P 1","2","","","","- C42 H50 O5 W -","- C42 H50 O5 W -","- C84 H100 O10 W2 -","2","1","","Gonsales, Stella A.; Kubo, Tomohiro; Flint, Madison K.; Abboud, Khalil A.; Sumerlin, Brent S.; Veige, Adam S.","Highly Tactic Cyclic Polynorbornene: Stereoselective Ring Expansion Metathesis Polymerization of Norbornene Catalyzed by a New Tethered Tungsten-Alkylidene Catalyst.","Journal of the American Chemical Society","2016","138","15","4996","4999","10.1021/jacs.6b00014","","","0.71073","MoKα","","0.0208","0.02","","","0.0518","0.0523","","","","","","1.09","","","","has coordinates,has disorder","240659","2020-10-21","18:00:00",""
"4130077","15.3264","0.0005","18.753","0.0006","18.9589","0.0006","90","","103.362","0.0006","90","","5301.6","0.3","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C62 H72 O6 W2 -","- C62 H72 O6 W2 -","- C248 H288 O24 W8 -","4","1","","Gonsales, Stella A.; Kubo, Tomohiro; Flint, Madison K.; Abboud, Khalil A.; Sumerlin, Brent S.; Veige, Adam S.","Highly Tactic Cyclic Polynorbornene: Stereoselective Ring Expansion Metathesis Polymerization of Norbornene Catalyzed by a New Tethered Tungsten-Alkylidene Catalyst.","Journal of the American Chemical Society","2016","138","15","4996","4999","10.1021/jacs.6b00014","","","0.71073","MoKα","","0.0506","0.0287","","","0.0531","0.0573","","","","","","0.925","","","","has coordinates","240660","2020-10-21","18:00:00",""
"4130078","28.4649","0.0017","28.4649","0.0017","17.3837","0.0011","90","","90","","90","","14085.2","1.5","100","2","100","2","","","","","","","","4","I 41/a :2","-I 4ad","88","","","","- C19 H23 N3 Ni -","- C19 H23 N3 Ni -","- C608 H736 N96 Ni32 -","32","2","","Xu, Hongwei; Diccianni, Justin B.; Katigbak, Joseph; Hu, Chunhua; Zhang, Yingkai; Diao, Tianning","Bimetallic C-C Bond-Forming Reductive Elimination from Nickel.","Journal of the American Chemical Society","2016","138","14","4779","4786","10.1021/jacs.6b00016","","","0.71073","MoKα","","0.1147","0.0931","","","0.3106","0.3314","","","","","","1.6","","","","has coordinates,has disorder","240661","2020-10-21","18:00:00",""
"4130079","17.2307","0.001","12.1517","0.0006","14.5044","0.0008","90","","104.451","0.001","90","","2940.9","0.3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H18 N2 Ni O2 -","- C16 H18 N2 Ni O2 -","- C128 H144 N16 Ni8 O16 -","8","2","","Xu, Hongwei; Diccianni, Justin B.; Katigbak, Joseph; Hu, Chunhua; Zhang, Yingkai; Diao, Tianning","Bimetallic C-C Bond-Forming Reductive Elimination from Nickel.","Journal of the American Chemical Society","2016","138","14","4779","4786","10.1021/jacs.6b00016","","","0.71073","MoKα","","0.0387","0.0317","","","0.0768","0.0804","","","","","","1.046","","","","has coordinates","240661","2020-10-21","18:00:00",""
"4130080","8.765","0.001","11.0263","0.0012","11.2797","0.0012","94.9041","0.0019","104.468","0.0016","93.8012","0.0018","1047.3","0.2","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H22 N2 Ni O2 -","- C26 H22 N2 Ni O2 -","- C52 H44 N4 Ni2 O4 -","2","1","","Xu, Hongwei; Diccianni, Justin B.; Katigbak, Joseph; Hu, Chunhua; Zhang, Yingkai; Diao, Tianning","Bimetallic C-C Bond-Forming Reductive Elimination from Nickel.","Journal of the American Chemical Society","2016","138","14","4779","4786","10.1021/jacs.6b00016","","","0.71073","MoKα","","0.0472","0.0318","","","0.063","0.0683","","","","","","1.03","","","","has coordinates,has disorder","240661","2020-10-21","18:00:00",""
"4130081","17.304","0.002","11.1832","0.0015","18.209","0.003","90","","114.263","0.002","90","","3212.4","0.8","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C39 H41 N3 Ni -","- C39 H41 N3 Ni -","- C156 H164 N12 Ni4 -","4","1","","Xu, Hongwei; Diccianni, Justin B.; Katigbak, Joseph; Hu, Chunhua; Zhang, Yingkai; Diao, Tianning","Bimetallic C-C Bond-Forming Reductive Elimination from Nickel.","Journal of the American Chemical Society","2016","138","14","4779","4786","10.1021/jacs.6b00016","","","0.71073","MoKα","","0.0941","0.0525","","","0.1173","0.1394","","","","","","1.029","","","","has coordinates","240661","2020-10-21","18:00:00",""
"4130082","12.3392","0.0014","15.9041","0.0018","14.8784","0.0017","90","","103.314","0.0016","90","","2841.3","0.6","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C34 H36 N4 Ni -","- C34 H36 N4 Ni -","- C136 H144 N16 Ni4 -","4","1","","Xu, Hongwei; Diccianni, Justin B.; Katigbak, Joseph; Hu, Chunhua; Zhang, Yingkai; Diao, Tianning","Bimetallic C-C Bond-Forming Reductive Elimination from Nickel.","Journal of the American Chemical Society","2016","138","14","4779","4786","10.1021/jacs.6b00016","","","0.71073","MoKα","","0.0604","0.0503","","","0.1438","0.1521","","","","","","1.044","","","","has coordinates","240661","2020-10-21","18:00:00",""
"4130083","10.695","0.003","15.081","0.004","33.05","0.008","90","","99.27","0.003","90","","5261","2","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C32 H30 N6 Ni -","- C32 H30 N6 Ni -","- C256 H240 N48 Ni8 -","8","2","","Xu, Hongwei; Diccianni, Justin B.; Katigbak, Joseph; Hu, Chunhua; Zhang, Yingkai; Diao, Tianning","Bimetallic C-C Bond-Forming Reductive Elimination from Nickel.","Journal of the American Chemical Society","2016","138","14","4779","4786","10.1021/jacs.6b00016","","","0.71073","MoKα","","0.0997","0.0736","","","0.1854","0.1994","","","","","","1.041","","","","has coordinates","240661","2020-10-21","18:00:00",""
"4130084","15.382","0.004","7.1655","0.0018","21.607","0.006","90","","90.107","0.003","90","","2381.5","1.1","153","2","153","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C25 H35 Al N2 -","- C25 H35 Al N2 -","- C100 H140 Al4 N8 -","4","0.5","","Yang, Zhi; Zhong, Mingdong; Ma, Xiaoli; Nijesh, Karikkeeriyil; De, Susmita; Parameswaran, Pattiyil; Roesky, Herbert W.","An Aluminum Dihydride Working as a Catalyst in Hydroboration and Dehydrocoupling.","Journal of the American Chemical Society","2016","138","8","2548","2551","10.1021/jacs.6b00032","","","0.71073","MoKα","","0.0659","0.0563","","","0.1494","0.1597","","","","","","1.002","","","","has coordinates,has disorder","240662","2020-10-21","18:00:00",""
"4130085","8.8093","0.0014","18.443","0.002","31.202","0.005","90","","90","","90","","5069.4","1.3","293","2","293.15","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C27 H28 N4 O4 -","- C27 H28 N4 O4 -","- C216 H224 N32 O32 -","8","1","","Dai, Jianxin; Wang, Minyan; Chai, Guobi; Fu, Chunling; Ma, Shengming","A Practical Solution to Stereodefined Tetrasubstituted Olefins.","Journal of the American Chemical Society","2016","138","8","2532","2535","10.1021/jacs.6b00051","","","0.71073","MoKα","","0.1528","0.0952","","","0.2182","0.2569","","","","","","1.04","","","","has coordinates","240663","2020-10-21","18:00:00",""
"4130086","18.0565","0.0014","9.8443","0.0008","13.4192","0.001","90","","128.544","0.001","90","","1865.6","0.3","145","2","145","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C14 H26 F4 N4 O2 Zn -","- C14 H26 F4 N4 O2 Zn -","- C56 H104 F16 N16 O8 Zn4 -","4","0.5","","Xu, Long; Vicic, David A.","Direct Difluoromethylation of Aryl Halides via Base Metal Catalysis at Room Temperature.","Journal of the American Chemical Society","2016","138","8","2536","2539","10.1021/jacs.6b00053","","","0.71073","MoKα","","0.055","0.0519","","","0.1396","0.1427","","","","","","1.11","","","","has coordinates","240664","2020-10-21","18:00:00",""
"4130087","8.3717","0.0006","18.9906","0.0013","12.6955","0.0009","90","","101.361","0.002","90","","1978.8","0.2","145","2","145","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H32 F2 N2 Ni -","- C20 H26 F4 N2 Ni -","- C80 H104 F16 N8 Ni4 -","4","1","","Xu, Long; Vicic, David A.","Direct Difluoromethylation of Aryl Halides via Base Metal Catalysis at Room Temperature.","Journal of the American Chemical Society","2016","138","8","2536","2539","10.1021/jacs.6b00053","","","0.71073","MoKα","","0.0448","0.032","","","0.0759","0.0878","","","","","","1.156","","","","has coordinates","240664","2020-10-21","18:00:00",""
"4130088","19.681","0.008","11.242","0.004","24.5359","0.001","90","","90.623","0.006","90","","5428","3","93","2","93","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C58 H84 Si5 -","- C58 H84 Si5 -","- C232 H336 Si20 -","4","0.5","","Shintani, Ryo; Iino, Ryo; Nozaki, Kyoko","Rhodium-Catalyzed Stitching Reaction: Convergent Synthesis of Quinoidal Fused Oligosiloles.","Journal of the American Chemical Society","2016","138","11","3635","3638","10.1021/jacs.6b00082","","","0.71075","MoKα","","0.0654","0.0578","","","0.1245","0.1285","","","","","","1.119","","","","has coordinates","240665","2020-10-21","18:00:00",""
"4130089","8.4888","0.0016","14.564","0.003","17.222","0.003","90","","95.98","0.003","90","","2117.6","0.7","93","2","93","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C26 H28 Si -","- C26 H28 Si -","- C104 H112 Si4 -","4","1","","Shintani, Ryo; Iino, Ryo; Nozaki, Kyoko","Rhodium-Catalyzed Stitching Reaction: Convergent Synthesis of Quinoidal Fused Oligosiloles.","Journal of the American Chemical Society","2016","138","11","3635","3638","10.1021/jacs.6b00082","","","0.71075","MoKα","","0.0413","0.0401","","","0.0963","0.0977","","","","","","1.071","","","","has coordinates","240666","2020-10-21","18:00:00",""
"4130090","20.217","0.006","10.913","0.003","17.757","0.005","90","","102.872","0.004","90","","3819.2","1.9","173","2","173","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C42 H56 Si3 -","- C42 H56 Si3 -","- C168 H224 Si12 -","4","0.5","","Shintani, Ryo; Iino, Ryo; Nozaki, Kyoko","Rhodium-Catalyzed Stitching Reaction: Convergent Synthesis of Quinoidal Fused Oligosiloles.","Journal of the American Chemical Society","2016","138","11","3635","3638","10.1021/jacs.6b00082","","","0.71075","MoKα","","0.0654","0.057","","","0.1228","0.1283","","","","","","1.108","","","","has coordinates","240667","2020-10-21","18:00:00",""
"4130091","5.0912","0.0003","8.9533","0.0005","23.0489","0.0012","90","","94.2965","0.0018","90","","1047.69","0.1","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C10 H10 F3 N O3 -","- C10 H10 F3 N O3 -","- C40 H40 F12 N4 O12 -","4","1","","Nagamani, Chikkannagari; Liu, Huiying; Moore, Jeffrey S.","Mechanogeneration of Acid from Oxime Sulfonates.","Journal of the American Chemical Society","2016","138","8","2540","2543","10.1021/jacs.6b00097","","","1.54178","CuKα","","0.0576","0.0547","","","0.1225","0.1237","","","","","","1.179","","","","has coordinates","240668","2020-10-21","18:00:00",""
"4130092","24.3659","0.0011","10.1608","0.0005","7.6406","0.0003","90","","90","","90","","1891.64","0.15","100","2","100","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C9 H8 F3 N O2 -","- C9 H8 F3 N O2 -","- C72 H64 F24 N8 O16 -","8","1","","Nagamani, Chikkannagari; Liu, Huiying; Moore, Jeffrey S.","Mechanogeneration of Acid from Oxime Sulfonates.","Journal of the American Chemical Society","2016","138","8","2540","2543","10.1021/jacs.6b00097","","","1.54178","CuKα","","0.0477","0.0476","","","0.1069","0.1071","","","","","","1.184","","","","has coordinates","240668","2020-10-21","18:00:00",""
"4130093","9.1636","0.0004","11.8078","0.0005","25.3656","0.001","95.096","0.002","100.04","0.002","90.1","0.002","2691.5","0.2","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C24 H18 F6 N2 O8 S2 -","- C24 H18 F6 N2 O8 S2 -","- C96 H72 F24 N8 O32 S8 -","4","2","","Nagamani, Chikkannagari; Liu, Huiying; Moore, Jeffrey S.","Mechanogeneration of Acid from Oxime Sulfonates.","Journal of the American Chemical Society","2016","138","8","2540","2543","10.1021/jacs.6b00097","","","1.54178","CuKα","","0.0903","0.0713","","","0.1721","0.1836","","","","","","1.06","","","","has coordinates,has disorder","240668","2020-10-21","18:00:00",""
"4130094","9.8252","0.0001","9.8252","0.0001","34.0247","0.0006","90","","90","","120","","2844.51","0.06","100","2","100","2","","","","","","","","5","P 61","P 61","169","","","","- C18 H22 F5 N O3 -","- C18 H22 F5 N O3 -","- C108 H132 F30 N6 O18 -","6","1","","Mahender Reddy, Karla; Bhimireddy, Eswar; Thirupathi, Barla; Breitler, Simon; Yu, Shunming; Corey, E. J.","Cationic Chiral Fluorinated Oxazaborolidines. More Potent, Second-Generation Catalysts for Highly Enantioselective Cycloaddition Reactions.","Journal of the American Chemical Society","2016","138","7","2443","2453","10.1021/jacs.6b00100","","","1.54178","CuKα","","0.0248","0.0234","","","0.0561","0.0567","","","","","","1.079","","","","has coordinates","240669","2020-10-21","18:00:00",""
"4130095","8.4957","0.0007","13.2816","0.001","14.4218","0.0011","90","","90","","90","","1627.3","0.2","130","","130","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C19 H22 Fe N2 O -","- C19 H22 Fe N2 O -","- C76 H88 Fe4 N8 O4 -","4","1","","Gao, De-Wei; Gu, Qing; You, Shu-Li","An Enantioselective Oxidative C-H/C-H Cross-Coupling Reaction: Highly Efficient Method To Prepare Planar Chiral Ferrocenes.","Journal of the American Chemical Society","2016","138","8","2544","2547","10.1021/jacs.6b00127","","","0.71073","MoKα","","0.0311","0.0269","","","0.0629","0.0646","","","","","","0.999","","","","has coordinates","240670","2020-10-21","18:00:00",""
"4130096","6.883","0.004","10.729","0.006","27.388","0.015","90","","95.788","0.01","90","","2012","2","130","","130","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C23 H22 Cl Fe N S -","- C23 H22 Cl Fe N S -","- C92 H88 Cl4 Fe4 N4 S4 -","4","2","","Gao, De-Wei; Gu, Qing; You, Shu-Li","An Enantioselective Oxidative C-H/C-H Cross-Coupling Reaction: Highly Efficient Method To Prepare Planar Chiral Ferrocenes.","Journal of the American Chemical Society","2016","138","8","2544","2547","10.1021/jacs.6b00127","","","0.71073","MoKα","","0.0462","0.0396","","","0.0927","0.0954","","","","","","1.147","","","","has coordinates","240671","2020-10-21","18:00:00",""
"4130097","9.3232","0.0004","9.8579","0.0005","43.235","0.002","90","","90","","90","","3973.6","0.3","100","","100","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C36 H56 B2 F8 N6 -","- C36 H56 B2 F8 N6 -","- C144 H224 B8 F32 N24 -","4","1","","Dong, Shunxi; Frings, Marcus; Cheng, Hanchao; Wen, Jian; Zhang, Duo; Raabe, Gerhard; Bolm, Carsten","Organocatalytic Kinetic Resolution of Sulfoximines.","Journal of the American Chemical Society","2016","138","7","2166","2169","10.1021/jacs.6b00143","","","1.54178","CuKα","","0.044","0.044","","0.053","","0.053","","","1.004","","","1.007","","","","has coordinates","240672","2020-10-21","18:00:00",""
"4130098","11.527","0.002","11.527","0.002","9.5824","0.0019","90","","90","","90","","1273.2","0.4","100","2","100","2","","","","","","","","5","P 42 n m","P 4n -2n","102","","","","- C23 H44 Ir N P2 -","- C23 H44 Ir N P2 -","- C46 H88 Ir2 N2 P4 -","2","0.25","","Feller, Moran; Gellrich, Urs; Anaby, Aviel; Diskin-Posner, Yael; Milstein, David","Reductive Cleavage of CO2 by Metal-Ligand-Cooperation Mediated by an Iridium Pincer Complex.","Journal of the American Chemical Society","2016","138","20","6445","6454","10.1021/jacs.6b00202","","","0.71073","MoKα","","0.0279","0.0231","","","0.0447","0.0458","","","","","","1.258","","","","has coordinates,has disorder","240674","2020-10-21","18:00:00",""
"4130099","12.2328","0.0003","15.8577","0.0004","16.0723","0.0004","90","","90","","90","","3117.77","0.13","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C28 H50 Ir N O5 P2 -","- C28 H50 Ir N O5 P2 -","- C112 H200 Ir4 N4 O20 P8 -","4","1","","Feller, Moran; Gellrich, Urs; Anaby, Aviel; Diskin-Posner, Yael; Milstein, David","Reductive Cleavage of CO2 by Metal-Ligand-Cooperation Mediated by an Iridium Pincer Complex.","Journal of the American Chemical Society","2016","138","20","6445","6454","10.1021/jacs.6b00202","","","0.71073","MoKα","","0.0296","0.0252","","","0.0478","0.0491","","","","","","0.949","","","","has coordinates","240674","2020-10-21","18:00:00",""
"4130100","16.6996","0.0004","15.2679","0.0003","16.3378","0.0004","90","","116.667","0.003","90","","3722.52","0.18","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C28 H50 Cl6 Ir N O4 P2 -","- C28 H50 Cl6 Ir N O4 P2 -","- C112 H200 Cl24 Ir4 N4 O16 P8 -","4","1","","Feller, Moran; Gellrich, Urs; Anaby, Aviel; Diskin-Posner, Yael; Milstein, David","Reductive Cleavage of CO2 by Metal-Ligand-Cooperation Mediated by an Iridium Pincer Complex.","Journal of the American Chemical Society","2016","138","20","6445","6454","10.1021/jacs.6b00202","","","0.71073","MoKα","","0.0272","0.0233","","","0.0551","0.0563","","","","","","1.075","","","","has coordinates,has disorder","240674","2020-10-21","18:00:00",""
"4130101","37.2012","0.0009","37.2012","0.0009","37.2012","0.0009","90","","90","","90","","51484","2","100","","100","","","","","","","","","6","F m -3 c","-F 4a 2 3","226","","","","- C216 H96 Cl6 Fe27 N144 O24 -","- C216 H96 Cl6 Fe24 N144 O24 -","- C864 H384 Cl24 Fe96 N576 O96 -","4","0.0208333","","Reed, Douglas A.; Xiao, Dianne J.; Gonzalez, Miguel I.; Darago, Lucy E.; Herm, Zoey R.; Grandjean, Fernande; Long, Jeffrey R.","Reversible CO Scavenging via Adsorbate-Dependent Spin State Transitions in an Iron(II)-Triazolate Metal-Organic Framework.","Journal of the American Chemical Society","2016","138","17","5594","5602","10.1021/jacs.6b00248","","","0.7749","synchrotron","","0.0439","0.0405","","","0.1272","0.1292","","","","","","1.077","","","","has coordinates","240675","2020-10-21","18:00:00",""
"4130102","38.068","0.0011","38.068","0.0011","38.068","0.0011","90","","90","","90","","55167","3","100","","100","","","","","","","","","6","F m -3 c","-F 4a 2 3","226","","","","- C264 H240 Cl6 Fe27 N168 O24 -","- C216 H120 Cl6 Fe24 N168 O24 -","- C864 H480 Cl24 Fe96 N672 O96 -","4","0.0208333","","Reed, Douglas A.; Xiao, Dianne J.; Gonzalez, Miguel I.; Darago, Lucy E.; Herm, Zoey R.; Grandjean, Fernande; Long, Jeffrey R.","Reversible CO Scavenging via Adsorbate-Dependent Spin State Transitions in an Iron(II)-Triazolate Metal-Organic Framework.","Journal of the American Chemical Society","2016","138","17","5594","5602","10.1021/jacs.6b00248","","","0.7749","synchrotron","","0.0556","0.0505","","","0.1595","0.1651","","","","","","1.12","","","","has coordinates,has disorder","240676","2020-10-21","18:00:00",""
"4130103","10.29","0.004","12.272","0.004","12.856","0.004","81.821","0.014","80.193","0.014","69.109","0.012","1488.7","0.9","103.15","","103","2","","","","","","","","5","P -1","-P 1","2","","","","- C33 H45 B N2 O -","- C33 H45 B N2 O -","- C66 H90 B2 N4 O2 -","2","1","","Kisu, Haruki; Sakaino, Hirotoshi; Ito, Fumihiro; Yamashita, Makoto; Nozaki, Kyoko","A Qualitative Analysis of a ""Bora-Brook Rearrangement"": The Ambident Reactivity of Boryl-Substituted Alkoxide Including the Carbon-to-Oxygen Migration of a Boryl Group.","Journal of the American Chemical Society","2016","138","10","3548","3552","10.1021/jacs.6b00283","","","0.7107","MoKα","","0.066","0.0531","","","0.1257","0.1342","","","","","","1.063","","","","has coordinates,has disorder","240677","2020-10-21","18:00:00",""
"4130104","14.976","0.005","12.583","0.005","16.265","0.006","90","","91.2967","0.0018","90","","3064","2","103.15","","103","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C33 H45 B N2 O -","- C33 H45 B N2 O -","- C132 H180 B4 N8 O4 -","4","1","","Kisu, Haruki; Sakaino, Hirotoshi; Ito, Fumihiro; Yamashita, Makoto; Nozaki, Kyoko","A Qualitative Analysis of a ""Bora-Brook Rearrangement"": The Ambident Reactivity of Boryl-Substituted Alkoxide Including the Carbon-to-Oxygen Migration of a Boryl Group.","Journal of the American Chemical Society","2016","138","10","3548","3552","10.1021/jacs.6b00283","","","0.7107","MoKα","","0.1102","0.0835","","","0.1506","0.1633","","","","","","1.227","","","","has coordinates","240677","2020-10-21","18:00:00",""
"4130105","20.296","0.016","20.622","0.014","17.131","0.013","90","","115.831","0.009","90","","6454","8","93.15","","93","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C70 H96 B2 Li2 N4 O3 -","- C70 H96 B2 Li2 N4 O3 -","- C280 H384 B8 Li8 N16 O12 -","4","0.5","","Kisu, Haruki; Sakaino, Hirotoshi; Ito, Fumihiro; Yamashita, Makoto; Nozaki, Kyoko","A Qualitative Analysis of a ""Bora-Brook Rearrangement"": The Ambident Reactivity of Boryl-Substituted Alkoxide Including the Carbon-to-Oxygen Migration of a Boryl Group.","Journal of the American Chemical Society","2016","138","10","3548","3552","10.1021/jacs.6b00283","","","0.71075","MoKα","","0.1992","0.0998","","","0.2033","0.242","","","","","","1.02","","","","has coordinates","240677","2020-10-21","18:00:00",""
"4130106","20.625","0.012","20.977","0.01","17.1","0.009","90","","117.341","0.01","90","","6572","6","93.15","","93","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C73 H96 B2 Li2 N4 O2 -","- C73 H96 B2 Li2 N4 O2 -","- C292 H384 B8 Li8 N16 O8 -","4","0.5","","Kisu, Haruki; Sakaino, Hirotoshi; Ito, Fumihiro; Yamashita, Makoto; Nozaki, Kyoko","A Qualitative Analysis of a ""Bora-Brook Rearrangement"": The Ambident Reactivity of Boryl-Substituted Alkoxide Including the Carbon-to-Oxygen Migration of a Boryl Group.","Journal of the American Chemical Society","2016","138","10","3548","3552","10.1021/jacs.6b00283","","","0.71075","MoKα","","0.1352","0.1003","","","0.2066","0.2287","","","","","","1.204","","","","has coordinates,has disorder","240677","2020-10-21","18:00:00",""
"4130107","17.16","0.008","12.447","0.005","18.046","0.007","90","","116.401","0.007","90","","3452","3","93.15","","93","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C36 H53 B N2 O Si -","- C36 H53 B N2 O Si -","- C144 H212 B4 N8 O4 Si4 -","4","1","","Kisu, Haruki; Sakaino, Hirotoshi; Ito, Fumihiro; Yamashita, Makoto; Nozaki, Kyoko","A Qualitative Analysis of a ""Bora-Brook Rearrangement"": The Ambident Reactivity of Boryl-Substituted Alkoxide Including the Carbon-to-Oxygen Migration of a Boryl Group.","Journal of the American Chemical Society","2016","138","10","3548","3552","10.1021/jacs.6b00283","","","0.71075","MoKα","","0.1141","0.0808","","","0.1584","0.1748","","","","","","1.138","","","","has coordinates","240677","2020-10-21","18:00:00",""
"4130108","9.434","0.005","9.442","0.005","18.382","0.009","83.43","0.02","76.38","0.02","77.01","0.02","1547.4","1.4","103.15","","103","2","","","","","","","","5","P -1","-P 1","2","","","","- C34 H47 B N2 O -","- C34 H47 B N2 O -","- C68 H94 B2 N4 O2 -","2","1","","Kisu, Haruki; Sakaino, Hirotoshi; Ito, Fumihiro; Yamashita, Makoto; Nozaki, Kyoko","A Qualitative Analysis of a ""Bora-Brook Rearrangement"": The Ambident Reactivity of Boryl-Substituted Alkoxide Including the Carbon-to-Oxygen Migration of a Boryl Group.","Journal of the American Chemical Society","2016","138","10","3548","3552","10.1021/jacs.6b00283","","","0.71075","MoKα","","0.1889","0.1017","","","0.2251","0.2933","","","","","","1.106","","","","has coordinates","240677","2020-10-21","18:00:00",""
"4130109","15.408","0.003","11.14","0.002","18.912","0.004","90","","93.473","0.005","90","","3240.2","1.1","93.15","","93","2","","","","","","","","5","P 1 2/a 1","-P 2ya","13","","","","- C36 H49 B N2 O -","- C36 H49 B N2 O -","- C144 H196 B4 N8 O4 -","4","1","","Kisu, Haruki; Sakaino, Hirotoshi; Ito, Fumihiro; Yamashita, Makoto; Nozaki, Kyoko","A Qualitative Analysis of a ""Bora-Brook Rearrangement"": The Ambident Reactivity of Boryl-Substituted Alkoxide Including the Carbon-to-Oxygen Migration of a Boryl Group.","Journal of the American Chemical Society","2016","138","10","3548","3552","10.1021/jacs.6b00283","","","0.71075","MoKα","","0.171","0.0954","","","0.2129","0.2619","","","","","","1.095","","","","has coordinates","240677","2020-10-21","18:00:00",""
"4130110","10.399","0.002","12.57","0.002","12.868","0.003","80.845","0.012","78.888","0.01","66.991","0.008","1512.7","0.5","93.15","","93","2","","","","","","","","6","P -1","-P 1","2","","","","- C33 H44 B F N2 O -","- C33 H44 B F N2 O -","- C66 H88 B2 F2 N4 O2 -","2","1","","Kisu, Haruki; Sakaino, Hirotoshi; Ito, Fumihiro; Yamashita, Makoto; Nozaki, Kyoko","A Qualitative Analysis of a ""Bora-Brook Rearrangement"": The Ambident Reactivity of Boryl-Substituted Alkoxide Including the Carbon-to-Oxygen Migration of a Boryl Group.","Journal of the American Chemical Society","2016","138","10","3548","3552","10.1021/jacs.6b00283","","","0.71075","MoKα","","0.0969","0.0562","","","0.1233","0.1447","","","","","","0.927","","","","has coordinates,has disorder","240677","2020-10-21","18:00:00",""
"4130111","12.153","0.003","13.653","0.003","18.121","0.004","90","","90","","90","","3006.7","1.2","93.15","","93","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C33 H42 B F N2 O -","- C33 H42 B F N2 O -","- C132 H168 B4 F4 N8 O4 -","4","1","","Kisu, Haruki; Sakaino, Hirotoshi; Ito, Fumihiro; Yamashita, Makoto; Nozaki, Kyoko","A Qualitative Analysis of a ""Bora-Brook Rearrangement"": The Ambident Reactivity of Boryl-Substituted Alkoxide Including the Carbon-to-Oxygen Migration of a Boryl Group.","Journal of the American Chemical Society","2016","138","10","3548","3552","10.1021/jacs.6b00283","","","0.71075","MoKα","","0.0586","0.0507","","","0.1186","0.1255","","","","","","1.034","","","","has coordinates,has disorder","240677","2020-10-21","18:00:00",""
"4130112","12.868","0.007","13.76","0.008","18.432","0.01","101.98","0.006","101.462","0.01","101.586","0.008","3027","3","93.15","","93","2","","","","","","","","6","P -1","-P 1","2","","","","- C33 H44 B F N2 O -","- C33 H44 B F N2 O -","- C132 H176 B4 F4 N8 O4 -","4","2","","Kisu, Haruki; Sakaino, Hirotoshi; Ito, Fumihiro; Yamashita, Makoto; Nozaki, Kyoko","A Qualitative Analysis of a ""Bora-Brook Rearrangement"": The Ambident Reactivity of Boryl-Substituted Alkoxide Including the Carbon-to-Oxygen Migration of a Boryl Group.","Journal of the American Chemical Society","2016","138","10","3548","3552","10.1021/jacs.6b00283","","","0.71075","MoKα","","0.1556","0.0973","","","0.2086","0.2519","","","","","","1.072","","","","has coordinates","240677","2020-10-21","18:00:00",""
"4130113","11.941","0.005","13.3","0.005","18.914","0.008","90","","90","","90","","3004","2","93.15","","93","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C33 H42 B F N2 O -","- C33 H42 B F N2 O -","- C132 H168 B4 F4 N8 O4 -","4","1","","Kisu, Haruki; Sakaino, Hirotoshi; Ito, Fumihiro; Yamashita, Makoto; Nozaki, Kyoko","A Qualitative Analysis of a ""Bora-Brook Rearrangement"": The Ambident Reactivity of Boryl-Substituted Alkoxide Including the Carbon-to-Oxygen Migration of a Boryl Group.","Journal of the American Chemical Society","2016","138","10","3548","3552","10.1021/jacs.6b00283","","","0.71075","MoKα","","0.1074","0.0796","","","0.17","0.1899","","","","","","1.076","","","","has coordinates","240677","2020-10-21","18:00:00",""
"4130114","9.766","0.002","9.648","0.002","14.138","0.003","90","","110","0.02","90","","1251.8","0.5","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C20 H44 Cl2 Mg2 N2 O2 -","- C20 H44 Cl2 Mg2 N2 O2 -","- C40 H88 Cl4 Mg4 N4 O4 -","2","0.5","","Neufeld, Roman; Teuteberg, Thorsten L.; Herbst-Irmer, Regine; Mata, Ricardo A.; Stalke, Dietmar","Solution Structures of Hauser Base (i)Pr2NMgCl and Turbo-Hauser Base (i)Pr2NMgCl·LiCl in THF and the Influence of LiCl on the Schlenk-Equilibrium.","Journal of the American Chemical Society","2016","138","14","4796","4806","10.1021/jacs.6b00345","","","0.71073","MoKα","","0.0366","0.03","","","0.0752","0.0796","","","","","","1.067","","","","has coordinates,has disorder","240678","2020-10-21","18:00:00",""
"4130115","8.1845","0.0008","10.3787","0.001","11.7173","0.0012","116.156","0.003","99.215","0.003","95.524","0.003","866.09","0.15","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H21 N O2 S -","- C20 H21 N O2 S -","- C40 H42 N2 O4 S2 -","2","1","","Feng, Jian-Jun; Lin, Tao-Yan; Zhu, Chao-Ze; Wang, Huamin; Wu, Hai-Hong; Zhang, Junliang","The Divergent Synthesis of Nitrogen Heterocycles by Rhodium(I)-Catalyzed Intermolecular Cycloadditions of Vinyl Aziridines and Alkynes.","Journal of the American Chemical Society","2016","138","7","2178","2181","10.1021/jacs.6b00386","","","0.71073","MoKα","","0.0693","0.046","","","0.1079","0.1234","","","","","","1.024","","","","has coordinates","240679","2020-10-21","18:00:00",""
"4130116","12.0001","0.0012","7.6608","0.0012","12.186","0.002","90","","114.84","0.004","90","","1016.6","0.3","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C24 H23 N O2 S -","- C24 H23 N O2 S -","- C48 H46 N2 O4 S2 -","2","1","","Feng, Jian-Jun; Lin, Tao-Yan; Zhu, Chao-Ze; Wang, Huamin; Wu, Hai-Hong; Zhang, Junliang","The Divergent Synthesis of Nitrogen Heterocycles by Rhodium(I)-Catalyzed Intermolecular Cycloadditions of Vinyl Aziridines and Alkynes.","Journal of the American Chemical Society","2016","138","7","2178","2181","10.1021/jacs.6b00386","","","0.71073","MoKα","","0.0461","0.0354","","","0.0783","0.0839","","","","","","1.029","","","","has coordinates","240680","2020-10-21","18:00:00",""
"4130117","10.9584","0.0005","11.099","0.0005","15.2278","0.0007","75.3898","0.0016","76.1879","0.0016","70.6752","0.0015","1666.62","0.13","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C34 H35 Cl2 I3 -","- C34 H35 Cl2 I3 -","- C68 H70 Cl4 I6 -","2","1","","Lee, Semin; Yang, Anna; Moneypenny, 2nd, Timothy P; Moore, Jeffrey S.","Kinetically Trapped Tetrahedral Cages via Alkyne Metathesis.","Journal of the American Chemical Society","2016","138","7","2182","2185","10.1021/jacs.6b00468","","","0.71073","MoKα","","0.0198","0.0177","","","0.0393","0.0402","","","","","","1.119","","","","has coordinates,has disorder","240681","2020-10-21","18:00:00",""
"4130118","18.9935","0.0005","18.9935","0.0005","50.612","0.003","90","","90","","90","","18258.4","1.3","200","2","200","2","","","","","","","","3","I 41/a :2","-I 4ad","88","","","","- C148 H136 Cl12 -","- C148 H136 Cl12 -","- C592 H544 Cl48 -","4","0.25","","Lee, Semin; Yang, Anna; Moneypenny, 2nd, Timothy P; Moore, Jeffrey S.","Kinetically Trapped Tetrahedral Cages via Alkyne Metathesis.","Journal of the American Chemical Society","2016","138","7","2182","2185","10.1021/jacs.6b00468","","","1.2399","synchrotron","","0.106","0.0881","","","0.2624","0.2817","","","","","","1.083","","","","has coordinates,has disorder","240682","2020-10-21","18:00:00",""
"4130119","14.283","0.005","14.834","0.005","16.192","0.005","90","0.005","90","0.005","90","0.005","3431","2","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C34 H44 F2 Ni O4 P2 -","- C34 H44 F2 Ni O4 P2 -","- C136 H176 F8 Ni4 O16 P8 -","4","1","","Shevlin, Michael; Friedfeld, Max R.; Sheng, Huaming; Pierson, Nicholas A.; Hoyt, Jordan M.; Campeau, Louis-Charles; Chirik, Paul J.","Nickel-Catalyzed Asymmetric Alkene Hydrogenation of α,β-Unsaturated Esters: High-Throughput Experimentation-Enabled Reaction Discovery, Optimization, and Mechanistic Elucidation.","Journal of the American Chemical Society","2016","138","10","3562","3569","10.1021/jacs.6b00519","","","0.71073","MoKα","","0.0678","0.046","","","0.1101","0.1207","","","","","","1.034","","","","has coordinates","240683","2020-10-21","18:00:00",""
"4130120","12.5333","0.0003","7.8729","0.0002","16.2274","0.0004","90","","91.735","0.001","90","","1600.48","0.07","180.45","","180.45","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C22 H20 O2 -","- C22 H20 O2 -","- C88 H80 O8 -","4","1","","Mitra, Nirmal K.; Meudom, Rolande; Corzo, Hector H.; Gorden, John D.; Merner, Bradley L.","Overcoming Strain-Induced Rearrangement Reactions: A Mild Dehydrative Aromatization Protocol for Synthesis of Highly Distorted p-Phenylenes.","Journal of the American Chemical Society","2016","138","9","3235","3240","10.1021/jacs.6b00538","","","0.71073","MoKα","","0.0984","0.0682","","","0.156","0.1826","","","","","","1.0987","","","","has coordinates","240684","2020-10-21","18:00:00",""
"4130121","19.549","0.002","8.1172","0.0008","19.927","0.002","90","","90","","90","","3162.1","0.5","180","2","180","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","34","1,5-dioxa[5](3,3"")p-terphenylophane","","- C21 H18 O2 -","- C21 H18 O2 -","- C168 H144 O16 -","8","1","","Mitra, Nirmal K.; Meudom, Rolande; Corzo, Hector H.; Gorden, John D.; Merner, Bradley L.","Overcoming Strain-Induced Rearrangement Reactions: A Mild Dehydrative Aromatization Protocol for Synthesis of Highly Distorted p-Phenylenes.","Journal of the American Chemical Society","2016","138","9","3235","3240","10.1021/jacs.6b00538","","","0.71073","MoKα","","0.0725","0.0602","","","0.107","0.112","","","","","","1.212","","","","has coordinates","240685","2020-10-21","18:00:00",""
"4130122","14.7663","0.0012","26.944","0.002","24.182","0.002","90","","101.593","0.003","90","","9424.9","1.3","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C87.5 H119.5 N14 O21 Zn4 -","- C86 H116 N14 O21 Zn4 -","- C344 H464 N56 O84 Zn16 -","4","1","","Zhang, Huacheng; Lee, Juhoon; Lammer, Aaron D.; Chi, Xiaodong; Brewster, James T.; Lynch, Vincent M.; Li, Hao; Zhang, Zhan; Sessler, Jonathan L.","Self-Assembled Pyridine-Dipyrrolate Cages.","Journal of the American Chemical Society","2016","138","13","4573","4579","10.1021/jacs.6b00564","","","0.71073","MoKα","","0.0757","0.0544","","","0.0936","0.1","","","","","","1.084","","","","has coordinates","240686","2020-10-21","18:00:00",""
"4130123","4.9105","0.0019","10.503","0.004","24.057","0.01","85.058","0.01","88.604","0.008","88.473","0.011","1235.4","0.8","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C26 H34 N4 O5 -","- C26 H34 N4 O5 -","- C52 H68 N8 O10 -","2","1","","Zhang, Huacheng; Lee, Juhoon; Lammer, Aaron D.; Chi, Xiaodong; Brewster, James T.; Lynch, Vincent M.; Li, Hao; Zhang, Zhan; Sessler, Jonathan L.","Self-Assembled Pyridine-Dipyrrolate Cages.","Journal of the American Chemical Society","2016","138","13","4573","4579","10.1021/jacs.6b00564","","","0.71073","MoKα","","0.1119","0.0639","","","0.1339","0.1529","","","","","","1.079","","","","has coordinates","240687","2020-10-21","18:00:00",""
"4130124","18.156","0.003","9.0535","0.0012","25.803","0.004","90","","106.877","0.004","90","","4058.7","1.1","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C39.5 H65 Cl N4 O5 -","- C39.04 H64.1 N4 O5 -","- C156.16 H256.4 N16 O20 -","4","1","","Zhang, Huacheng; Lee, Juhoon; Lammer, Aaron D.; Chi, Xiaodong; Brewster, James T.; Lynch, Vincent M.; Li, Hao; Zhang, Zhan; Sessler, Jonathan L.","Self-Assembled Pyridine-Dipyrrolate Cages.","Journal of the American Chemical Society","2016","138","13","4573","4579","10.1021/jacs.6b00564","","","0.71073","MoKα","","0.0602","0.0513","","","0.1266","0.1327","","","","","","1.009","","","","has coordinates,has disorder","240688","2020-10-21","18:00:00",""
"4130125","15.916","0.005","18.83","0.006","19.364","0.006","105.094","0.004","103.903","0.004","91.781","0.005","5412","3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C209 H267 N33 O41 Zn8 -","- C209 H267 N33 O41 Zn8 -","- C209 H267 N33 O41 Zn8 -","1","0.5","","Zhang, Huacheng; Lee, Juhoon; Lammer, Aaron D.; Chi, Xiaodong; Brewster, James T.; Lynch, Vincent M.; Li, Hao; Zhang, Zhan; Sessler, Jonathan L.","Self-Assembled Pyridine-Dipyrrolate Cages.","Journal of the American Chemical Society","2016","138","13","4573","4579","10.1021/jacs.6b00564","","","1.54184","CuKα","","0.0428","0.0338","","","0.0831","0.088","","","","","","0.977","","","","has coordinates,has disorder","240689","2020-10-21","18:00:00",""
"4130126","18.3255","0.0006","9.8329","0.0003","21.8331","0.0007","90","","113.534","0.002","90","","3606.9","0.2","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C38 H45 I N2 O7 -","- C38 H45 I N2 O7 -","- C152 H180 I4 N8 O28 -","4","1","","Cai, Lingchao; Zhang, Kui; Kwon, Ohyun","Catalytic Asymmetric Total Synthesis of (-)-Actinophyllic Acid.","Journal of the American Chemical Society","2016","138","10","3298","3301","10.1021/jacs.6b00567","","","1.54178","CuKα","","0.0555","0.0475","","","0.1262","0.1301","","","","","","1.096","","","","has coordinates","240690","2020-10-21","18:00:00",""
"4130127","9.1811","0.0002","11.1546","0.0002","11.7517","0.0002","94.3941","0.0008","97.2458","0.0008","92.0699","0.0008","1189.11","0.04","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C26 H30 N2 O7 -","- C26 H30 N2 O7 -","- C52 H60 N4 O14 -","2","1","","Cai, Lingchao; Zhang, Kui; Kwon, Ohyun","Catalytic Asymmetric Total Synthesis of (-)-Actinophyllic Acid.","Journal of the American Chemical Society","2016","138","10","3298","3301","10.1021/jacs.6b00567","","","1.54178","CuKα","","0.0392","0.0349","","","0.0845","0.0874","","","","","","1.04","","","","has coordinates","240691","2020-10-21","18:00:00",""
"4130128","10.28646","0.00011","13.11062","0.00016","18.6124","0.0002","90","","90","","90","","2510.1","0.05","160","2","160","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C17 H12 O S -","- C17 H12 O S -","- C136 H96 O8 S8 -","8","2","","Kathayat, Rahul S.; Yang, Lijun; Sattasathuchana, Tosaporn; Zoppi, Laura; Baldridge, Kim K.; Linden, Anthony; Finney, Nathaniel S.","On the Origins of Nonradiative Excited State Relaxation in Aryl Sulfoxides Relevant to Fluorescent Chemosensing.","Journal of the American Chemical Society","2016","138","49","15889","15895","10.1021/jacs.6b00572","","","0.71073","MoKα","","0.0346","0.0315","","","0.0804","0.0832","","","","","","1.036","","","","has coordinates","240692","2020-10-21","18:00:00",""
"4130129","14.1029","0.0002","10.42061","0.00015","16.6896","0.0002","90","","90","","90","","2452.72","0.06","160","2","160","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C17 H12 O S -","- C17 H12 O S -","- C136 H96 O8 S8 -","8","1","","Kathayat, Rahul S.; Yang, Lijun; Sattasathuchana, Tosaporn; Zoppi, Laura; Baldridge, Kim K.; Linden, Anthony; Finney, Nathaniel S.","On the Origins of Nonradiative Excited State Relaxation in Aryl Sulfoxides Relevant to Fluorescent Chemosensing.","Journal of the American Chemical Society","2016","138","49","15889","15895","10.1021/jacs.6b00572","","","0.71073","MoKα","","0.0431","0.0354","","","0.0952","0.1009","","","","","","1.042","","","","has coordinates","240692","2020-10-21","18:00:00",""
"4130130","12.6972","0.0006","12.3023","0.0004","15.4558","0.0008","90","","113.068","0.004","90","","2221.23","0.18","133","2","133","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C19 H20 F3 Fe N9 O4 S -","- C19 H20 F3 Fe N9 O4 S -","- C76 H80 F12 Fe4 N36 O16 S4 -","4","1","","Kupper, Claudia; Rees, Julian A.; Dechert, Sebastian; DeBeer, Serena; Meyer, Franc","Complete Series of {FeNO}(8), {FeNO}(7), and {FeNO}(6) Complexes Stabilized by a Tetracarbene Macrocycle.","Journal of the American Chemical Society","2016","138","25","7888","7898","10.1021/jacs.6b00584","","","0.71073","MoKα","","0.0468","0.0386","","","0.0988","0.1025","","","","","","1.047","","","","has coordinates","240693","2020-10-21","18:00:00",""
"4130131","10.1194","0.0009","11.5579","0.001","13.5781","0.0011","74.854","0.007","86.99","0.007","67.327","0.007","1412.4","0.2","133","2","133","2","","","","","","","","7","P -1","-P 1","2","","","","- C20 H20 F6 Fe N10 O9 S2 -","- C20 H20 F6 Fe N10 O9 S2 -","- C40 H40 F12 Fe2 N20 O18 S4 -","2","1","","Kupper, Claudia; Rees, Julian A.; Dechert, Sebastian; DeBeer, Serena; Meyer, Franc","Complete Series of {FeNO}(8), {FeNO}(7), and {FeNO}(6) Complexes Stabilized by a Tetracarbene Macrocycle.","Journal of the American Chemical Society","2016","138","25","7888","7898","10.1021/jacs.6b00584","","","0.71073","MoKα","","0.0973","0.0592","","","0.1007","0.1106","","","","","","1.056","","","","has coordinates","240693","2020-10-21","18:00:00",""
"4130132","29.896","0.0007","29.896","0.0007","29.896","0.0007","90","","90","","90","","26720.2","1.1","293","2","293","2","","","","","","","","4","F m -3","-F 2 2 3","202","","","","- C0 H0 O228 Ti84 -","- O228 Ti84 -","- O456 Ti168 -","2","0.0208333","","Gao, Mei-Yan; Wang, Fei; Gu, Zhi-Gang; Zhang, De-Xiang; Zhang, Lei; Zhang, Jian","Fullerene-like Polyoxotitanium Cage with High Solution Stability.","Journal of the American Chemical Society","2016","138","8","2556","2559","10.1021/jacs.6b00613","","","1.54178","CuKα","","0.1761","0.1244","","","0.3063","0.348","","","","","","0.909","","","","has coordinates","240694","2020-10-21","18:00:00",""
"4130133","7.8819","0.0008","12.8093","0.0013","14.6769","0.0015","90","","90","","90","","1481.8","0.3","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H19 N O2 -","- C18 H19 N O2 -","- C72 H76 N4 O8 -","4","1","","Liang, Xiao; Jiang, Shi-Zhi; Wei, Kun; Yang, Yu-Rong","Enantioselective Total Synthesis of (-)-Alstoscholarisine A.","Journal of the American Chemical Society","2016","138","8","2560","2562","10.1021/jacs.6b00625","","","0.71073","MoKα","","0.0402","0.035","","","0.0855","0.0884","","","","","","1.054","","","","has coordinates","240695","2020-10-21","18:00:00",""
"4130134","30.4471","0.0019","30.4471","0.0019","21.8623","0.0014","90","","90","","90","","20267","2","192","2","192","2","","","","","","","","7","P 4/m n c","-P 4 2n","128","","","","- C264 H236 Cl6 Co20 N8 O52 S16 -","- C264 H236 Cl6 Co20 N8 O52 S16 -","- C528 H472 Cl12 Co40 N16 O104 S32 -","2","0.125","","Hang, Xinxin; Liu, Bing; Zhu, Xiaofei; Wang, Shentang; Han, Haitao; Liao, Wuping; Liu, Yunling; Hu, Chunhua","Discrete {Ni40} Coordination Cage: A Calixarene-Based Johnson-Type (J17) Hexadecahedron.","Journal of the American Chemical Society","2016","138","9","2969","2972","10.1021/jacs.6b00695","","","0.71073","MoKα","","0.1101","0.0615","","","0.1864","0.2141","","","","","","1.064","","","","has coordinates,has disorder","240696","2020-10-21","18:00:00",""
"4130135","36.664","0.007","34.101","0.006","46.617","0.008","90","","92.414","0.002","90","","58233","18","296","2","296","2","","","","","","","","7","P 1 2/n 1","-P 2yac","13","","","","- C626.14 H574.08 Cl6 N18.73 Ni40 O115.47 S40 -","- C626.146 H574.084 Cl6 N18.7282 Ni40 O115.477 S40 -","- C1252.29 H1148.17 Cl12 N37.4564 Ni80 O230.954 S80 -","2","0.5","","Hang, Xinxin; Liu, Bing; Zhu, Xiaofei; Wang, Shentang; Han, Haitao; Liao, Wuping; Liu, Yunling; Hu, Chunhua","Discrete {Ni40} Coordination Cage: A Calixarene-Based Johnson-Type (J17) Hexadecahedron.","Journal of the American Chemical Society","2016","138","9","2969","2972","10.1021/jacs.6b00695","","","0.71073","MoKα","","0.1141","0.0667","","","0.1938","0.2156","","","","","","1.063","","","","has coordinates,has disorder","240697","2020-10-21","18:00:00",""
"4130136","12.0773","0.0007","13.7901","0.0009","16.7455","0.0009","69.605","0.003","74.537","0.003","72.549","0.003","2452.4","0.3","100","2","100","2","","","","","","","","7","P -1","-P 1","2","119","","","- C54.4 H43.61 B F15 N3 O Re -","- C54.398 H43.612 B F15 N3 O Re -","- C108.796 H87.224 B2 F30 N6 O2 Re2 -","2","1","","Lambic, Nikola S.; Sommer, Roger D.; Ison, Elon A.","Transition-Metal Oxos as the Lewis Basic Component of Frustrated Lewis Pairs.","Journal of the American Chemical Society","2016","138","14","4832","4842","10.1021/jacs.6b00705","","","0.71073","MoKα","","0.0356","0.0248","","","0.0464","0.0488","","","","","","1.018","","","","has coordinates,has disorder","240698","2020-10-21","18:00:00",""
"4130137","24.5115","0.0007","24.6966","0.0009","18.6378","0.0006","90","","90","","90","","11282.4","0.6","100","2","100","2","","","","","","","","6","P c c n","-P 2ab 2ac","56","FLP2","","","- C31 H29 F5 N3 O Re -","- C31 H29 F5 N3 O Re -","- C496 H464 F80 N48 O16 Re16 -","16","2","","Lambic, Nikola S.; Sommer, Roger D.; Ison, Elon A.","Transition-Metal Oxos as the Lewis Basic Component of Frustrated Lewis Pairs.","Journal of the American Chemical Society","2016","138","14","4832","4842","10.1021/jacs.6b00705","","","0.71073","MoKα","","0.0479","0.0293","","","0.0523","0.0572","","","","","","1.028","","","","has coordinates","240698","2020-10-21","18:00:00",""
"4130138","16.2377","0.0003","16.2377","0.0003","36.5045","0.0007","90","","90","","90","","9624.9","0.3","150","2","150","2","","","","","","","","7","P 41 21 2","P 4abw 2nw","92","","","","- C50 H37 B F15 N3 O Re -","- C46.5 H33 B F15 N3 O Re -","- C372 H264 B8 F120 N24 O8 Re8 -","8","1","","Lambic, Nikola S.; Sommer, Roger D.; Ison, Elon A.","Transition-Metal Oxos as the Lewis Basic Component of Frustrated Lewis Pairs.","Journal of the American Chemical Society","2016","138","14","4832","4842","10.1021/jacs.6b00705","","","0.71073","MoKα","","0.033","0.0299","","","0.0683","0.0695","","","","","","1.103","","","","has coordinates,has disorder","240698","2020-10-21","18:00:00",""
"4130139","15.8657","0.0017","20.21","0.002","8.2946","0.0008","90","","102.559","0.004","90","","2596","0.5","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C33 H17 F4 Ir N2 O4 -","- C33 H17 F4 Ir N2 O4 -","- C132 H68 F16 Ir4 N8 O16 -","4","1","","Chen, Tsun-Ren; Wu, Fang-Siou; Lee, Hsiu-Pen; Chen, Kelvin H.-C.","Diiridium Bimetallic Complexes Function as a Redox Switch To Directly Split Carbonate into Carbon Monoxide and Oxygen.","Journal of the American Chemical Society","2016","138","11","3643","3646","10.1021/jacs.6b00715","","x-ray","0.71073","MoKα","","0.0964","0.0731","","","0.1817","0.2109","","","","","","1.083","","","","has coordinates","240699","2020-10-21","18:00:00",""
"4130140","14.2793","0.0004","16.5304","0.0005","23.6","0.0008","90","","90","","90","","5570.6","0.3","150","2","150","2","","","","","","","","7","C c c a :2","-C 2a 2ac","68","","","","- C54 H28 Cl4 F8 Ir2 N4 O6 -","- C54 H28 Cl4 F8 Ir2 N4 O6 -","- C216 H112 Cl16 F32 Ir8 N16 O24 -","4","0.25","","Chen, Tsun-Ren; Wu, Fang-Siou; Lee, Hsiu-Pen; Chen, Kelvin H.-C.","Diiridium Bimetallic Complexes Function as a Redox Switch To Directly Split Carbonate into Carbon Monoxide and Oxygen.","Journal of the American Chemical Society","2016","138","11","3643","3646","10.1021/jacs.6b00715","","x-ray","0.71073","MoKα","","0.052","0.0406","","","0.0796","0.0842","","","","","","1.159","","","","has coordinates","240700","2020-10-21","18:00:00",""
"4130141","14.485","0.003","32.392","0.008","20.582","0.005","90","","103.16","0.004","90","","9403","4","103","2","103","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C108 H122 B2 N4 O14 -","- C108 H122 B2 N4 O14 -","- C432 H488 B8 N16 O56 -","4","0.5","","Suzuki, Yoshimasa; Nakamura, Taiki; Iida, Hiroki; Ousaka, Naoki; Yashima, Eiji","Allosteric Regulation of Unidirectional Spring-like Motion of Double-Stranded Helicates.","Journal of the American Chemical Society","2016","138","14","4852","4859","10.1021/jacs.6b00787","","","0.71075","MoKa","","0.217","0.1769","","","0.354","0.3775","","","","","","1.23","","","","has coordinates,has disorder","240701","2020-10-21","18:00:00",""
"4130142","16.291","0.002","15.03","0.002","24.604","0.004","90","","102.476","0.002","90","","5882.1","1.4","103","2","103","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C122 H156 B2 N6 O12 -","- C122 H156 B2 N6 O12 -","- C244 H312 B4 N12 O24 -","2","1","","Suzuki, Yoshimasa; Nakamura, Taiki; Iida, Hiroki; Ousaka, Naoki; Yashima, Eiji","Allosteric Regulation of Unidirectional Spring-like Motion of Double-Stranded Helicates.","Journal of the American Chemical Society","2016","138","14","4852","4859","10.1021/jacs.6b00787","","","0.71075","MoKα","","0.1649","0.1161","","","0.2697","0.3025","","","","","","1.111","","","","has coordinates,has disorder","275202","2022-05-07","03:29:12",""
"4130143","10.2462","0.0004","21.4566","0.0009","22.8408","0.0009","90","","96.132","0.002","90","","4992.8","0.3","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","[Cu2(NCCH3)DPFN](PF6)2,2.5(C6H5NO2)","","","- C47 H35.5 Cu2 F14 N9.5 O5 P2 -","- C47.078 H35.565 Cu2 F14 N9.487 O4.974 P2 -","- C188.312 H142.26 Cu8 F56 N37.948 O19.896 P8 -","4","1","","Ziegler, Micah S.; Levine, Daniel S.; Lakshmi, K. V.; Tilley, T. Don","Aryl Group Transfer from Tetraarylborato Anions to an Electrophilic Dicopper(I) Center and Mixed-Valence μ-Aryl Dicopper(I,II) Complexes.","Journal of the American Chemical Society","2016","138","20","6484","6491","10.1021/jacs.6b00802","","","0.71073","MoKα","","0.0419","0.0355","","","0.0935","0.0981","","","","","","1.038","","","","has coordinates,has disorder","240703","2020-10-21","18:00:00",""
"4130144","9.9438","0.0003","16.1553","0.0005","20.9439","0.0006","87.583","0.001","76.604","0.001","75.168","0.001","3163.41","0.17","100","2","100","2","","","","","","","","6","P -1","-P 1","2","[Cu2(Ph)DPFN]BPh4,3(o-C6H4F2)","","","- C78 H57 B Cu2 F8 N6 -","- C78 H57 B Cu2 F8 N6 -","- C156 H114 B2 Cu4 F16 N12 -","2","1","","Ziegler, Micah S.; Levine, Daniel S.; Lakshmi, K. V.; Tilley, T. Don","Aryl Group Transfer from Tetraarylborato Anions to an Electrophilic Dicopper(I) Center and Mixed-Valence μ-Aryl Dicopper(I,II) Complexes.","Journal of the American Chemical Society","2016","138","20","6484","6491","10.1021/jacs.6b00802","","","0.71073","MoKα","","0.0468","0.0398","","","0.0982","0.103","","","","","","1.022","","","","has coordinates,has disorder","240703","2020-10-21","18:00:00",""
"4130145","20.3441","0.001","21.4651","0.0011","20.4182","0.001","90","","112.805","0.002","90","","8219.4","0.7","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","[Cu2((3,5-CF3)C6H3))DPFN]BArF24,3(o-C6H4F2)","","","- C88 H47 B Cu2 F38 N6 -","- C88 H47 B Cu2 F38 N6 -","- C352 H188 B4 Cu8 F152 N24 -","4","1","","Ziegler, Micah S.; Levine, Daniel S.; Lakshmi, K. V.; Tilley, T. Don","Aryl Group Transfer from Tetraarylborato Anions to an Electrophilic Dicopper(I) Center and Mixed-Valence μ-Aryl Dicopper(I,II) Complexes.","Journal of the American Chemical Society","2016","138","20","6484","6491","10.1021/jacs.6b00802","","","1.54178","CuKα","","0.0794","0.0644","","","0.1753","0.1907","","","","","","1.022","","","","has coordinates,has disorder","240703","2020-10-21","18:00:00",""
"4130146","25.2803","0.0009","15.4022","0.0006","27.2625","0.001","90","","106.227","0.001","90","","10192.4","0.7","100","2","100","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","[Cu2(NCCH3)DPFN](NTf2)2,n(o-C6H4Cl2)","","","- C43.39 H27.78 Cl1.77 Cu2 F14 N9 O8 S4 -","- C43.398 H27.778 Cl1.772 Cu2 F14 N9 O8 S4 -","- C347.184 H222.224 Cl14.176 Cu16 F112 N72 O64 S32 -","8","1","","Ziegler, Micah S.; Levine, Daniel S.; Lakshmi, K. V.; Tilley, T. Don","Aryl Group Transfer from Tetraarylborato Anions to an Electrophilic Dicopper(I) Center and Mixed-Valence μ-Aryl Dicopper(I,II) Complexes.","Journal of the American Chemical Society","2016","138","20","6484","6491","10.1021/jacs.6b00802","","","0.71073","MoKα","","0.0488","0.0428","","","0.1135","0.1174","","","","","","1.066","","","","has coordinates,has disorder","240703","2020-10-21","18:00:00",""
"4130147","23.1071","0.0015","19.4719","0.0013","22.4403","0.0014","90","","91.37","0.003","90","","10093.9","1.1","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","[Cu2(Ph)DPFN](NTf2),2.5(C6H5F)","","","- C53 H37.5 Cu2 F10.5 N7 O4 S2 -","- C53 H37.5 Cu2 F10.5 N7 O4 S2 -","- C424 H300 Cu16 F84 N56 O32 S16 -","8","1","","Ziegler, Micah S.; Levine, Daniel S.; Lakshmi, K. V.; Tilley, T. Don","Aryl Group Transfer from Tetraarylborato Anions to an Electrophilic Dicopper(I) Center and Mixed-Valence μ-Aryl Dicopper(I,II) Complexes.","Journal of the American Chemical Society","2016","138","20","6484","6491","10.1021/jacs.6b00802","","","0.71073","MoKα","","0.0429","0.0356","","","0.0874","0.0929","","","","","","1.046","","","","has coordinates,has disorder","240703","2020-10-21","18:00:00",""
"4130148","12.678","0.0004","15.1192","0.0005","16.6712","0.0006","66.681","0.001","74.49","0.001","71.718","0.001","2748.56","0.16","100","2","100","2","","","","","","","","7","P -1","-P 1","2","[Cu2(Ph)DPFN](NTf2)2,n(o-C6H4F2)","","","- C40 H25 Cu2 F14 N8 O8 S4 -","- C40 H25 Cu2 F14 N8 O8 S4 -","- C80 H50 Cu4 F28 N16 O16 S8 -","2","1","","Ziegler, Micah S.; Levine, Daniel S.; Lakshmi, K. V.; Tilley, T. Don","Aryl Group Transfer from Tetraarylborato Anions to an Electrophilic Dicopper(I) Center and Mixed-Valence μ-Aryl Dicopper(I,II) Complexes.","Journal of the American Chemical Society","2016","138","20","6484","6491","10.1021/jacs.6b00802","","","0.71073","MoKα","","0.0649","0.0527","","","0.1324","0.1407","","","","","","1.053","","","","has coordinates,has disorder","240703","2020-10-21","18:00:00",""
"4130149","8.3517","0.0001","14.6007","0.0002","18.7457","0.0002","90","","90","","90","","2285.86","0.05","120","2","120","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","4,4-dimethyl-3-oxo-1-(perfluorophenyl)-1,2-diphenyl-1,2,3,4- tetrahydrobenzo[c][1,5,2]diazaborinin-4-ium-1-uide","","- C27 H20 B F5 N2 O -","- C27 H20 B F5 N2 O -","- C108 H80 B4 F20 N8 O4 -","4","1","","Chernichenko, Konstantin; Lindqvist, Markus; Kótai, Bianka; Nieger, Martin; Sorochkina, Kristina; Pápai, Imre; Repo, Timo","Metal-Free sp(2)-C-H Borylation as a Common Reactivity Pattern of Frustrated 2-Aminophenylboranes.","Journal of the American Chemical Society","2016","138","14","4860","4868","10.1021/jacs.6b00819","","","1.54178","CuKα","","0.0389","0.037","","","0.0983","0.1001","","","","","","1.041","","","","has coordinates","240704","2020-10-21","18:00:00",""
"4130150","13.185","0.001","9.417","0.001","26.849","0.002","90","","93.44","0.01","90","","3327.6","0.5","123","2","123","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","2,2'-(thiophene-2,5-diylbis((perfluorophenyl)boranediyl))- bis(N,N-dimethylaniline)","","- C35 H29 B2 F10 N2 S -","- C35 H29 B2 F10 N2 S -","- C140 H116 B8 F40 N8 S4 -","4","1","","Chernichenko, Konstantin; Lindqvist, Markus; Kótai, Bianka; Nieger, Martin; Sorochkina, Kristina; Pápai, Imre; Repo, Timo","Metal-Free sp(2)-C-H Borylation as a Common Reactivity Pattern of Frustrated 2-Aminophenylboranes.","Journal of the American Chemical Society","2016","138","14","4860","4868","10.1021/jacs.6b00819","","","0.71073","MoKα","","0.0724","0.0545","","","0.1455","0.1584","","","","","","1.052","","","","has coordinates,has disorder","240704","2020-10-21","18:00:00",""
"4130151","19.18","0.0004","18.5354","0.0004","18.4087","0.0004","90","","115.643","0.001","90","","5899.9","0.2","123","2","123","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","5-([1,1'-biphenyl]-2-yl)-5-(2-(2,2,6,6-tetramethylpiperidin- 1-ium-1-yl)phenyl)-5H-dibenzo[b,d]borol-5-uide","","- C39 H40 B N -","- C39 H40 B N -","- C312 H320 B8 N8 -","8","2","","Chernichenko, Konstantin; Lindqvist, Markus; Kótai, Bianka; Nieger, Martin; Sorochkina, Kristina; Pápai, Imre; Repo, Timo","Metal-Free sp(2)-C-H Borylation as a Common Reactivity Pattern of Frustrated 2-Aminophenylboranes.","Journal of the American Chemical Society","2016","138","14","4860","4868","10.1021/jacs.6b00819","","","1.54178","CuKα","","0.0798","0.0583","","","0.1353","0.1464","","","","","","1.028","","","","has coordinates","240704","2020-10-21","18:00:00",""
"4130152","10.46","0.0007","12.8017","0.001","18.4489","0.0013","78.432","0.004","82.776","0.004","70.576","0.004","2277.8","0.3","100","2","100","1","","","","","","","","8","P -1","-P 1","2","","","","- C91.33 H136 F6 N2 Nb2 O8 P4 S2 -","- C91.3 H135.94 F6 N2 Nb2 O8 P4 S2 -","- C91.3 H135.94 F6 N2 Nb2 O8 P4 S2 -","1","0.5","","Kurogi, Takashi; Carroll, Patrick J.; Mindiola, Daniel J.","A Terminally Bound Niobium Methylidyne.","Journal of the American Chemical Society","2016","138","13","4306","4309","10.1021/jacs.6b00830","","","0.71073","MoKα","","0.0688","0.0452","","","0.0985","0.1073","","","","","","1.047","","","","has coordinates","240705","2020-10-21","18:00:00",""
"4130153","12.3046","0.0012","12.9264","0.0013","15.7965","0.0015","112.094","0.005","104.837","0.005","90.285","0.005","2235.9","0.4","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C45 H75 N Nb O P2 -","- C45 H75 N Nb O P2 -","- C90 H150 N2 Nb2 O2 P4 -","2","1","","Kurogi, Takashi; Carroll, Patrick J.; Mindiola, Daniel J.","A Terminally Bound Niobium Methylidyne.","Journal of the American Chemical Society","2016","138","13","4306","4309","10.1021/jacs.6b00830","","","0.71073","MoKα","","0.071","0.0436","","","0.0976","0.1091","","","","","","1.023","","","","has coordinates","240706","2020-10-21","18:00:00",""
"4130154","19.897","0.0013","9.6269","0.0007","20.0101","0.0013","90","","94.974","0.003","90","","3818.4","0.4","100","","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C39 H58 N Nb O P2 -","- C39 H58 N Nb O P2 -","- C156 H232 N4 Nb4 O4 P8 -","4","1","","Kurogi, Takashi; Carroll, Patrick J.; Mindiola, Daniel J.","A Terminally Bound Niobium Methylidyne.","Journal of the American Chemical Society","2016","138","13","4306","4309","10.1021/jacs.6b00830","","","0.71073","MoKα","","0.0493","0.0359","","","0.0834","0.0918","","","","","","1.021","","","","has coordinates","240707","2020-10-21","18:00:00",""
"4130155","12.2863","0.0012","15.2474","0.0013","15.3656","0.0015","61.451","0.004","89.192","0.005","75.707","0.004","2431.9","0.4","100","","100","","","","","","","","","8","P -1","-P 1","2","","","","- C45 H71 F3 N Nb O4 P2 S -","- C45 H71 F3 N Nb O4 P2 S -","- C90 H142 F6 N2 Nb2 O8 P4 S2 -","2","1","","Kurogi, Takashi; Carroll, Patrick J.; Mindiola, Daniel J.","A Terminally Bound Niobium Methylidyne.","Journal of the American Chemical Society","2016","138","13","4306","4309","10.1021/jacs.6b00830","","","0.71073","MoKα","","0.0531","0.0439","","","0.1136","0.122","","","","","","1.047","","","","has coordinates","240708","2020-10-21","18:00:00",""
"4130156","13.2018","0.0004","13.2018","0.0004","57.5706","0.0017","90","","90","","90","","10033.8","0.5","100","","100","","","","","","","","","7","I 41/a :2","-I 4ad","88","","","","- C50 H85 Cl2 N Nb O P2 -","- C38 H57 Cl2 N Nb O P2 -","- C304 H456 Cl16 N8 Nb8 O8 P16 -","8","0.5","","Kurogi, Takashi; Carroll, Patrick J.; Mindiola, Daniel J.","A Terminally Bound Niobium Methylidyne.","Journal of the American Chemical Society","2016","138","13","4306","4309","10.1021/jacs.6b00830","","","0.71073","MoKα","","0.0846","0.074","","","0.1567","0.1601","","","","","","1.285","","","","has coordinates,has disorder","240709","2020-10-21","18:00:00",""
"4130157","32.499","0.007","32.499","0.007","32.499","0.007","90","","90","","90","","34325","13","100","2","100","2","","","","","","","","5","F m -3 m","-F 4 2 3","225","","","","- C96 H64 N12 O30 Zr6 -","- C96 N12 O32 Zr6 -","- C384 N48 O128 Zr24 -","4","0.0208333","","Zhang, Teng; Manna, Kuntal; Lin, Wenbin","Metal-Organic Frameworks Stabilize Solution-Inaccessible Cobalt Catalysts for Highly Efficient Broad-Scope Organic Transformations.","Journal of the American Chemical Society","2016","138","9","3241","3249","10.1021/jacs.6b00849","","","0.518","","","0.1246","0.1177","","","0.2742","0.277","","","","","","2.369","","","","has coordinates","240710","2020-10-21","18:00:00",""
"4130158","25.4633","0.0016","12.1607","0.0008","22.1318","0.0014","90","","107.914","0.002","90","","6520.9","0.7","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C25.33 H26.67 Co N4 O0.33 -","- C25.3333 H24 Co N4 O0.333333 -","- C304 H288 Co12 N48 O4 -","12","1.5","","Zhang, Teng; Manna, Kuntal; Lin, Wenbin","Metal-Organic Frameworks Stabilize Solution-Inaccessible Cobalt Catalysts for Highly Efficient Broad-Scope Organic Transformations.","Journal of the American Chemical Society","2016","138","9","3241","3249","10.1021/jacs.6b00849","","","0.71073","MoKα","","0.1003","0.0654","","","0.1723","0.1895","","","","","","1.196","","","","has coordinates","240711","2020-10-21","18:00:00",""
"4130159","15.041","0.002","20.148","0.003","24.408","0.004","90","","93.946","0.003","90","","7379.2","1.9","296","2","296.15","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C155 H164 Cl4 O12 P4 Pd2 -","- C155 H164 Cl4 O12 P4 Pd2 -","- C310 H328 Cl8 O24 P8 Pd4 -","2","1","","Liu, Yang; Xie, Yinjun; Wang, Hongli; Huang, Hanmin","Enantioselective Aminomethylamination of Conjugated Dienes with Aminals Enabled by Chiral Palladium Complex-Catalyzed C-N Bond Activation.","Journal of the American Chemical Society","2016","138","13","4314","4317","10.1021/jacs.6b00976","","","0.71073","MoKα","","0.0811","0.0589","","","0.1505","0.1651","","","","","","0.991","","","","has coordinates,has disorder","240712","2020-10-21","18:00:00",""
"4130160","11.208","0.006","13.107","0.006","14.164","0.007","78.649","0.009","72.073","0.008","77.763","0.009","1915.3","1.7","296","2","296.15","","","","","","","","","5","P 1","P 1","1","","","","- C41 H42 Cl4 N2 O2 -","- C41 H42 Cl4 N2 O2 -","- C82 H84 Cl8 N4 O4 -","2","2","","Liu, Yang; Xie, Yinjun; Wang, Hongli; Huang, Hanmin","Enantioselective Aminomethylamination of Conjugated Dienes with Aminals Enabled by Chiral Palladium Complex-Catalyzed C-N Bond Activation.","Journal of the American Chemical Society","2016","138","13","4314","4317","10.1021/jacs.6b00976","","","0.71073","MoKα","","0.1188","0.0594","","","0.1582","0.2014","","","","","","0.997","","","","has coordinates","240713","2020-10-21","18:00:00",""
"4130161","26.346","0.008","9.78","0.003","12.743","0.004","90","","101.641","0.005","90","","3215.9","1.7","296","2","296.15","","","","","","","","","3","C 1 2 1","C 2y","5","","","","- C39 H40 N2 -","- C39 H40 N2 -","- C156 H160 N8 -","4","1","","Liu, Yang; Xie, Yinjun; Wang, Hongli; Huang, Hanmin","Enantioselective Aminomethylamination of Conjugated Dienes with Aminals Enabled by Chiral Palladium Complex-Catalyzed C-N Bond Activation.","Journal of the American Chemical Society","2016","138","13","4314","4317","10.1021/jacs.6b00976","","","0.71073","MoKα","","0.103","0.0723","","","0.1942","0.2263","","","","","","1.055","","","","has coordinates","240714","2020-10-21","18:00:00",""
"4130162","14.0399","0.001","18.7329","0.0014","25.5734","0.0018","90","","90","","90","","6726","0.8","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C74 H70 Cl4 O2 P2 -","- C74 H70 Cl4 O2 P2 -","- C296 H280 Cl16 O8 P8 -","4","1","","Liu, Yang; Xie, Yinjun; Wang, Hongli; Huang, Hanmin","Enantioselective Aminomethylamination of Conjugated Dienes with Aminals Enabled by Chiral Palladium Complex-Catalyzed C-N Bond Activation.","Journal of the American Chemical Society","2016","138","13","4314","4317","10.1021/jacs.6b00976","","","0.71073","MoKα","","0.1023","0.0643","","","0.1665","0.1919","","","","","","1.017","","","","has coordinates","240715","2020-10-21","18:00:00",""
"4130163","17.1202","0.0003","17.1515","0.0003","28.505","0.002","90","","122.17","0.005","90","","7085.1","0.7","85","2","85","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C73 H60 Dy Ga4 N7 O22 -","- C73 H60 Dy Ga4 N7 O22 -","- C292 H240 Dy4 Ga16 N28 O88 -","4","1","","Chow, Chun Y.; Eliseeva, Svetlana V.; Trivedi, Evan R.; Nguyen, Tu N.; Kampf, Jeff W.; Petoud, Stéphane; Pecoraro, Vincent L.","Ga(3+)/Ln(3+) Metallacrowns: A Promising Family of Highly Luminescent Lanthanide Complexes That Covers Visible and Near-Infrared Domains.","Journal of the American Chemical Society","2016","138","15","5100","5109","10.1021/jacs.6b00984","","","1.54178","CuKα","","0.0347","0.0346","","","0.0868","0.0869","","","","","","1.068","","","","has coordinates,has disorder","240716","2020-10-21","18:00:00",""
"4130164","13.9491","0.0003","38.2556","0.0012","42.6514","0.0012","105.529","0.003","92.47","0.002","91.599","0.002","21890.5","1.1","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C360 H288 Cd6 F72 N36 O24 P12 -","- C360 H288 Cd6 F72 N36 O24 P12 -","- C720 H576 Cd12 F144 N72 O48 P24 -","2","1","","Wang, Shih-Yu; Fu, Jun-Hao; Liang, Yen-Peng; He, Yun-Jui; Chen, Yu-Sheng; Chan, Yi-Tsu","Metallo-Supramolecular Self-Assembly of a Multicomponent Ditrigon Based on Complementary Terpyridine Ligand Pairing.","Journal of the American Chemical Society","2016","138","11","3651","3654","10.1021/jacs.6b01005","","","1.54178","CuKα","","0.2108","0.121","","","0.2992","0.3696","","","","","","1.2","","","","has coordinates,has disorder","240717","2020-10-21","18:00:00",""
"4130165","28.017","0.0006","54.0051","0.0011","15.5349","0.0003","90","","90","","90","","23505.2","0.8","200","2","200","2","","","","","","","","7","F d d 2","F 2 -2d","43","","","","- C61 H51 Cd F12 N7 O5 P2 -","- C61 H51 Cd F12 N7 O5 P2 -","- C976 H816 Cd16 F192 N112 O80 P32 -","16","1","","Wang, Shih-Yu; Fu, Jun-Hao; Liang, Yen-Peng; He, Yun-Jui; Chen, Yu-Sheng; Chan, Yi-Tsu","Metallo-Supramolecular Self-Assembly of a Multicomponent Ditrigon Based on Complementary Terpyridine Ligand Pairing.","Journal of the American Chemical Society","2016","138","11","3651","3654","10.1021/jacs.6b01005","","","1.54178","CuKα","","0.0561","0.0473","","","0.1126","0.1226","","","","","","1.045","","","","has coordinates","240718","2020-10-21","18:00:00",""
"4130166","5.8557","0.0009","9.2297","0.0013","17.447","0.003","96.214","0.002","95.884","0.002","90.396","0.002","932.3","0.3","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H20 Cl N2 O4 -","- C20 H19 Cl N2 O4 -","- C40 H38 Cl2 N4 O8 -","2","1","","Huang, Rong; Chang, Xin; Li, Jun; Wang, Chun-Jiang","Cu(I)-Catalyzed Asymmetric Multicomponent Cascade Inverse Electron-Demand Aza-Diels-Alder/Nucleophilic Addition/Ring-Opening Reaction Involving 2-Methoxyfurans as Efficient Dienophiles.","Journal of the American Chemical Society","2016","138","12","3998","4001","10.1021/jacs.6b01008","","","0.71073","MoKα","","0.0564","0.0386","","","0.0875","0.1003","","","","","","1.014","","","","has coordinates","240719","2020-10-21","18:00:00",""
"4130167","8.205","0.002","7.412","0.002","8.636","0.003","90","","100.618","0.01","90","","516.2","0.3","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C11 H11 Br O2 -","- C11 H11 Br O2 -","- C22 H22 Br2 O4 -","2","1","","Garza, Victoria J.; Krische, Michael J.","Hydroxymethylation beyond Carbonylation: Enantioselective Iridium-Catalyzed Reductive Coupling of Formaldehyde with Allylic Acetates via Enantiotopic π-Facial Discrimination.","Journal of the American Chemical Society","2016","138","11","3655","3658","10.1021/jacs.6b01078","","","0.71073","MoKα","","0.0229","0.022","","","0.0531","0.0535","","","","","","1.047","","","","has coordinates","240720","2020-10-21","18:00:00",""
"4130168","20.569","0.002","15.5906","0.0015","18.3755","0.0018","90","","104.318","0.003","90","","5709.7","1","100","2","100","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C26 H31 Cu F3 N4 O6 S -","- C26 H31 Cu F3 N4 O6 S -","- C208 H248 Cu8 F24 N32 O48 S8 -","8","1","","Lionetti, Davide; de Ruiter, Graham; Agapie, Theodor","A trans-Hyponitrite Intermediate in the Reductive Coupling and Deoxygenation of Nitric Oxide by a Tricopper-Lewis Acid Complex.","Journal of the American Chemical Society","2016","138","15","5008","5011","10.1021/jacs.6b01083","","","0.71073","MoKα","","0.074","0.0421","","","0.1018","0.1176","","","","","","1.032","","","","has coordinates","240721","2020-10-21","18:00:00",""
"4130169","13.8507","0.0013","16.8194","0.0017","21.214","0.002","105.556","0.003","105.602","0.003","94.915","0.003","4518.8","0.8","100","2","100","","","","","","","","","8","P -1","-P 1","2","","","","- C162 H179 Cu6 F18 N33 O28 S6 Y2 -","- C162 H179 Cu6 F18 N33 O28 S6 Y2 -","- C162 H179 Cu6 F18 N33 O28 S6 Y2 -","1","0.5","","Lionetti, Davide; de Ruiter, Graham; Agapie, Theodor","A trans-Hyponitrite Intermediate in the Reductive Coupling and Deoxygenation of Nitric Oxide by a Tricopper-Lewis Acid Complex.","Journal of the American Chemical Society","2016","138","15","5008","5011","10.1021/jacs.6b01083","","","0.71073","MoKα","","0.0779","0.0533","","","0.1446","0.1623","","","","","","1.038","","","","has coordinates,has disorder","240722","2020-10-21","18:00:00",""
"4130170","18.76","0.005","18.76","0.005","17.999","0.005","90","0.005","90","0.005","90","0.005","6335","3","293","2","293","2","","","","","","","","6","I -4 2 d","I -4 2bw","122","","","","- C36 H44 N22 O12 S2 Zn5 -","- C36 H32 N22 O12 S2 Zn5 -","- C144 H128 N88 O48 S8 Zn20 -","4","0.25","","Qin, Jun-Sheng; Du, Dong-Ying; Li, Mian; Lian, Xi-Zhen; Dong, Long-Zhang; Bosch, Mathieu; Su, Zhong-Min; Zhang, Qiang; Li, Shun-Li; Lan, Ya-Qian; Yuan, Shuai; Zhou, Hong-Cai","Derivation and Decoration of Nets with Trigonal-Prismatic Nodes: A Unique Route to Reticular Synthesis of Metal-Organic Frameworks.","Journal of the American Chemical Society","2016","138","16","5299","5307","10.1021/jacs.6b01093","","","0.71069","MoKα","","0.0667","0.0638","","","0.1881","0.1913","","","","","","1.033","","","","has coordinates,has disorder","240723","2020-10-21","18:00:00",""
"4130171","24.775","0.0016","24.775","0.0016","31.869","0.002","90","0.001","90","0.001","120","0.001","16940.5","1.9","293","2","293","2","","","","","","","","6","P 6/m c c","-P 6 2c","192","","","","- C26 H20 N10 O12 S3 Zn4 -","- C24 H12 N9 O12 S3 Zn4 -","- C192 H96 N72 O96 S24 Zn32 -","8","0.333333","","Qin, Jun-Sheng; Du, Dong-Ying; Li, Mian; Lian, Xi-Zhen; Dong, Long-Zhang; Bosch, Mathieu; Su, Zhong-Min; Zhang, Qiang; Li, Shun-Li; Lan, Ya-Qian; Yuan, Shuai; Zhou, Hong-Cai","Derivation and Decoration of Nets with Trigonal-Prismatic Nodes: A Unique Route to Reticular Synthesis of Metal-Organic Frameworks.","Journal of the American Chemical Society","2016","138","16","5299","5307","10.1021/jacs.6b01093","","","0.71069","MoKα","","0.0871","0.0335","","","0.0858","0.0906","","","","","","0.992","","","","has coordinates","240723","2020-10-21","18:00:00",""
"4130172","16.294","0.0009","16.294","0.0009","31.752","0.0018","90","0.005","90","0.005","120","0.005","7300.6","0.8","293","2","293","2","","","","","","","","6","P -3 c 1","-P 3 2""c","165","","","","- C58 H46 N20 O24 S3 Zn8 -","- C54 H18 N18 O24 S3 Zn8 -","- C108 H36 N36 O48 S6 Zn16 -","2","0.166667","","Qin, Jun-Sheng; Du, Dong-Ying; Li, Mian; Lian, Xi-Zhen; Dong, Long-Zhang; Bosch, Mathieu; Su, Zhong-Min; Zhang, Qiang; Li, Shun-Li; Lan, Ya-Qian; Yuan, Shuai; Zhou, Hong-Cai","Derivation and Decoration of Nets with Trigonal-Prismatic Nodes: A Unique Route to Reticular Synthesis of Metal-Organic Frameworks.","Journal of the American Chemical Society","2016","138","16","5299","5307","10.1021/jacs.6b01093","","","0.71069","MoKα","","0.0858","0.0618","","","0.2251","0.2547","","","","","","1.034","","","","has coordinates","240723","2020-10-21","18:00:00",""
"4130173","18.213","0.0006","18.213","0.0006","31.7057","0.0012","90","","90","","120","","9108.2","0.5","293","2","293","2","","","","","","","","6","P -3 c 1","-P 3 2""c","165","","","","- C64 H52 N20 O24 S9 Zn8 -","- C60 H36 N18 O24 S9 Zn8 -","- C120 H72 N36 O48 S18 Zn16 -","2","0.166667","","Qin, Jun-Sheng; Du, Dong-Ying; Li, Mian; Lian, Xi-Zhen; Dong, Long-Zhang; Bosch, Mathieu; Su, Zhong-Min; Zhang, Qiang; Li, Shun-Li; Lan, Ya-Qian; Yuan, Shuai; Zhou, Hong-Cai","Derivation and Decoration of Nets with Trigonal-Prismatic Nodes: A Unique Route to Reticular Synthesis of Metal-Organic Frameworks.","Journal of the American Chemical Society","2016","138","16","5299","5307","10.1021/jacs.6b01093","","","0.71073","MoKα","","0.0698","0.0506","","","0.1563","0.1659","","","","","","1.08","","","","has coordinates,has disorder","240723","2020-10-21","18:00:00",""
"4130174","18.748","0.004","18.748","","31.892","0.006","90","","90","","120","","9708","3","293","2","293","2","","","","","","","","6","P -3 c 1","-P 3 2""c","165","","","","- C70 H52 N20 O24 S3 Zn8 -","- C66 H36 N18 O24 S3 Zn8 -","- C132 H72 N36 O48 S6 Zn16 -","2","0.166667","","Qin, Jun-Sheng; Du, Dong-Ying; Li, Mian; Lian, Xi-Zhen; Dong, Long-Zhang; Bosch, Mathieu; Su, Zhong-Min; Zhang, Qiang; Li, Shun-Li; Lan, Ya-Qian; Yuan, Shuai; Zhou, Hong-Cai","Derivation and Decoration of Nets with Trigonal-Prismatic Nodes: A Unique Route to Reticular Synthesis of Metal-Organic Frameworks.","Journal of the American Chemical Society","2016","138","16","5299","5307","10.1021/jacs.6b01093","","","0.71073","MoKα","","0.1075","0.0711","","","0.1604","0.1693","","","","","","1.016","","","","has coordinates,has disorder","240723","2020-10-21","18:00:00",""
"4130175","34.858","0.005","38.935","0.005","19.106","0.003","90","0.005","121.613","0.002","90","0.005","22083","6","293","2","293","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- C76 H58 N22 O24 S3 Zn8 -","- C72 H42 N20 O24 S3 Zn8 -","- C288 H168 N80 O96 S12 Zn32 -","4","0.5","","Qin, Jun-Sheng; Du, Dong-Ying; Li, Mian; Lian, Xi-Zhen; Dong, Long-Zhang; Bosch, Mathieu; Su, Zhong-Min; Zhang, Qiang; Li, Shun-Li; Lan, Ya-Qian; Yuan, Shuai; Zhou, Hong-Cai","Derivation and Decoration of Nets with Trigonal-Prismatic Nodes: A Unique Route to Reticular Synthesis of Metal-Organic Frameworks.","Journal of the American Chemical Society","2016","138","16","5299","5307","10.1021/jacs.6b01093","","","0.71069","MoKα","","0.1137","0.0506","","","0.0964","0.1039","","","","","","0.994","","","","has coordinates","240723","2020-10-21","18:00:00",""
"4130176","52.786","","21.894","","33.863","","90","","129.9","","90","","30023.3","","293","2","293","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- C88 H64 N20 O24 S3 Zn8 -","- C84 H48 N18 O24 S3 Zn8 -","- C336 H192 N72 O96 S12 Zn32 -","4","0.5","","Qin, Jun-Sheng; Du, Dong-Ying; Li, Mian; Lian, Xi-Zhen; Dong, Long-Zhang; Bosch, Mathieu; Su, Zhong-Min; Zhang, Qiang; Li, Shun-Li; Lan, Ya-Qian; Yuan, Shuai; Zhou, Hong-Cai","Derivation and Decoration of Nets with Trigonal-Prismatic Nodes: A Unique Route to Reticular Synthesis of Metal-Organic Frameworks.","Journal of the American Chemical Society","2016","138","16","5299","5307","10.1021/jacs.6b01093","","","0.71073","MoKα","","0.1436","0.0915","","","0.1799","0.1972","","","","","","0.991","","","","has coordinates","240723","2020-10-21","18:00:00",""
"4130177","26.0154","0.0007","70.791","0.002","43.7088","0.0014","90","","90","","90","","80497","4","293","2","293","2","","","","","","","","6","C m c e","-C 2ac 2","64","","","","- C106 H70 N26 O24 S3 Zn9.5 -","- C102 H54 N24 O24 S3 Zn9.5 -","- C816 H432 N192 O192 S24 Zn76 -","8","0.5","","Qin, Jun-Sheng; Du, Dong-Ying; Li, Mian; Lian, Xi-Zhen; Dong, Long-Zhang; Bosch, Mathieu; Su, Zhong-Min; Zhang, Qiang; Li, Shun-Li; Lan, Ya-Qian; Yuan, Shuai; Zhou, Hong-Cai","Derivation and Decoration of Nets with Trigonal-Prismatic Nodes: A Unique Route to Reticular Synthesis of Metal-Organic Frameworks.","Journal of the American Chemical Society","2016","138","16","5299","5307","10.1021/jacs.6b01093","","","0.71073","MoKα","","0.0945","0.0754","","","0.2156","0.2341","","","","","","1.106","","","","has coordinates,has disorder","240723","2020-10-21","18:00:00",""
"4130178","38.7892","0.0005","10.0101","0.0002","19.4349","0.0003","90","","117.371","0.0007","90","","6701.43","0.19","150","","150","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C39 H22 B F10 O P -","- C39 H22 B F10 O P -","- C312 H176 B8 F80 O8 P8 -","8","1","","Mo, Zhenbo; Rit, Arnab; Campos, Jesús; Kolychev, Eugene L.; Aldridge, Simon","Catalytic B-N Dehydrogenation Using Frustrated Lewis Pairs: Evidence for a Chain-Growth Coupling Mechanism.","Journal of the American Chemical Society","2016","138","10","3306","3309","10.1021/jacs.6b01170","","","0.71073","MoKα","","0.0703","0.0462","","0.1153","0.096","0.1153","","","","","","0.9363","","","","has coordinates","240724","2020-10-21","18:00:00",""
"4130179","11.8302","0.0005","13.0209","0.0005","13.4767","0.0006","65.883","0.004","67.537","0.004","78.866","0.003","1749.3","0.15","150","2","150","2","","","","","","","","8","P -1","-P 1","2","","","","- C39.14 H28.28 B2 Cl0.28 F10 N O P -","- C39.1379 H28.2758 B2 Cl0.2758 F10 N O P -","- C78.2758 H56.5516 B4 Cl0.5516 F20 N2 O2 P2 -","2","1","","Mo, Zhenbo; Rit, Arnab; Campos, Jesús; Kolychev, Eugene L.; Aldridge, Simon","Catalytic B-N Dehydrogenation Using Frustrated Lewis Pairs: Evidence for a Chain-Growth Coupling Mechanism.","Journal of the American Chemical Society","2016","138","10","3306","3309","10.1021/jacs.6b01170","","","1.5418","CuKα","","0.0454","0.0391","","","0.097","0.1019","","","","","","1.023","","","","has coordinates,has disorder","240724","2020-10-21","18:00:00",""
"4130180","10.0982","0.0001","19.7298","0.0002","20.527","0.0002","81.7674","0.0004","84.2722","0.0004","78.4057","0.0004","3954.32","0.07","150","","150","","","","","","","","","7","P -1","-P 1","2","","","","- C40 H30 B2 F10 N O P -","- C40 H30 B2 F10 N O P -","- C160 H120 B8 F40 N4 O4 P4 -","4","2","","Mo, Zhenbo; Rit, Arnab; Campos, Jesús; Kolychev, Eugene L.; Aldridge, Simon","Catalytic B-N Dehydrogenation Using Frustrated Lewis Pairs: Evidence for a Chain-Growth Coupling Mechanism.","Journal of the American Chemical Society","2016","138","10","3306","3309","10.1021/jacs.6b01170","","","0.71073","MoKα","","0.09","0.055","","0.1708","0.1327","0.1708","","","","","","0.9841","","","","has coordinates","240724","2020-10-21","18:00:00",""
"4130181","10.2093","0.0001","15.8891","0.0002","22.2346","0.0004","90","","94.2105","0.0006","90","","3597.09","0.09","150","","150","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C41 H32 B2 F10 N O P -","- C41 H32 B2 F10 N O P -","- C164 H128 B8 F40 N4 O4 P4 -","4","1","","Mo, Zhenbo; Rit, Arnab; Campos, Jesús; Kolychev, Eugene L.; Aldridge, Simon","Catalytic B-N Dehydrogenation Using Frustrated Lewis Pairs: Evidence for a Chain-Growth Coupling Mechanism.","Journal of the American Chemical Society","2016","138","10","3306","3309","10.1021/jacs.6b01170","","","0.71073","MoKα","","0.0918","0.0446","","0.136","0.0951","0.136","","","","","","0.9789","","","","has coordinates","240724","2020-10-21","18:00:00",""
"4130182","13.1679","0.0004","15.0411","0.0004","20.7964","0.0004","90","","94.719","0.002","90","","4104.97","0.18","150","","150","","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C43 H36 B2 Cl2 F10 N O P -","- C43 H36 B2 Cl2 F10 N O P -","- C172 H144 B8 Cl8 F40 N4 O4 P4 -","4","1","","Mo, Zhenbo; Rit, Arnab; Campos, Jesús; Kolychev, Eugene L.; Aldridge, Simon","Catalytic B-N Dehydrogenation Using Frustrated Lewis Pairs: Evidence for a Chain-Growth Coupling Mechanism.","Journal of the American Chemical Society","2016","138","10","3306","3309","10.1021/jacs.6b01170","","","1.5418","CuKα","","0.0837","0.06","","0.155","0.1378","0.1548","","","","","","0.9542","","","","has coordinates","240724","2020-10-21","18:00:00",""
"4130183","9.9719","0.0001","17.3317","0.0002","21.4305","0.0003","90","","91.939","0.0006","90","","3701.71","0.08","150","","150","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C39 H32 B3 F10 N2 O P -","- C39 H32 B3 F10 N2 O P -","- C156 H128 B12 F40 N8 O4 P4 -","4","1","","Mo, Zhenbo; Rit, Arnab; Campos, Jesús; Kolychev, Eugene L.; Aldridge, Simon","Catalytic B-N Dehydrogenation Using Frustrated Lewis Pairs: Evidence for a Chain-Growth Coupling Mechanism.","Journal of the American Chemical Society","2016","138","10","3306","3309","10.1021/jacs.6b01170","","","0.71073","MoKα","","0.0778","0.0445","","0.1137","0.0875","0.1137","","","","","","0.9627","","","","has coordinates","240724","2020-10-21","18:00:00",""
"4130184","10.7616","0.0004","29.2049","0.001","15.4643","0.0008","90","","106.367","0.004","90","","4663.3","0.4","150","2","150","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C94 H102 B6 F20 N4 O5 P2 -","- C94 H102 B6 F20 N4 O5 P2 -","- C188 H204 B12 F40 N8 O10 P4 -","2","0.5","","Mo, Zhenbo; Rit, Arnab; Campos, Jesús; Kolychev, Eugene L.; Aldridge, Simon","Catalytic B-N Dehydrogenation Using Frustrated Lewis Pairs: Evidence for a Chain-Growth Coupling Mechanism.","Journal of the American Chemical Society","2016","138","10","3306","3309","10.1021/jacs.6b01170","","","1.5418","CuKα","","0.089","0.0713","","","0.1768","0.187","","","","","","1.081","","","","has coordinates,has disorder","240724","2020-10-21","18:00:00",""
"4130185","12.4563","0.0002","12.7878","0.0002","13.9516","0.0002","97.1164","0.0007","110.102","0.0007","96.6299","0.0007","2040.88","0.06","150","","150","","","","","","","","","8","P -1","-P 1","2","","","","- C40 H28 B2 Cl2 F10 N O P -","- C40 H28 B2 Cl2 F10 N O P -","- C80 H56 B4 Cl4 F20 N2 O2 P2 -","2","1","","Mo, Zhenbo; Rit, Arnab; Campos, Jesús; Kolychev, Eugene L.; Aldridge, Simon","Catalytic B-N Dehydrogenation Using Frustrated Lewis Pairs: Evidence for a Chain-Growth Coupling Mechanism.","Journal of the American Chemical Society","2016","138","10","3306","3309","10.1021/jacs.6b01170","","","0.71073","MoKα","","0.0683","0.0503","","0.1453","0.1247","0.1453","","","","","","0.9601","","","","has coordinates","240724","2020-10-21","18:00:00",""
"4130186","21.3231","0.0004","8.5517","0.0001","41.7671","0.0009","90","","101.146","0.002","90","","7472.5","0.2","150","","150","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C91 H90 B2 Cl2 O2 P2 -","- C91 H90 B2 Cl2 O2 P2 -","- C364 H360 B8 Cl8 O8 P8 -","4","0.5","","Mo, Zhenbo; Rit, Arnab; Campos, Jesús; Kolychev, Eugene L.; Aldridge, Simon","Catalytic B-N Dehydrogenation Using Frustrated Lewis Pairs: Evidence for a Chain-Growth Coupling Mechanism.","Journal of the American Chemical Society","2016","138","10","3306","3309","10.1021/jacs.6b01170","","","1.5418","CuKα","","0.0438","0.0429","","0.1047","0.1042","0.1047","","","","","","1.0066","","","","has coordinates,has disorder","240724","2020-10-21","18:00:00",""
"4130187","6.5466","0.0003","14.9516","0.0006","50.431","0.002","90","","90","","90","","4936.3","0.4","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C25 H25 F N2 O6 S -","- C25 H25 F N2 O6 S -","- C200 H200 F8 N16 O48 S8 -","8","2","","Trost, Barry M.; Saget, Tanguy; Hung, Chao-I Joey","Direct Catalytic Asymmetric Mannich Reactions for the Construction of Quaternary Carbon Stereocenters.","Journal of the American Chemical Society","2016","138","11","3659","3662","10.1021/jacs.6b01187","","","1.54178","CuKα","","0.0434","0.0421","","","0.1081","0.1093","","","","","","1.033","","","","has coordinates,has disorder","240725","2020-10-21","18:00:00",""
"4130188","15.4073","0.0009","13.5221","0.0016","20.4502","0.0016","90","","90","","90","","4260.6","0.7","100","","100","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C13 H12 N2 -","- C13 H12 N2 -","- C208 H192 N32 -","16","2","","White, Paul B.; Jaworski, Jonathan N.; Fry, Charles G.; Dolinar, Brian S.; Guzei, Ilia A.; Stahl, Shannon S.","Structurally Diverse Diazafluorene-Ligated Palladium(II) Complexes and Their Implications for Aerobic Oxidation Reactions.","Journal of the American Chemical Society","2016","138","14","4869","4880","10.1021/jacs.6b01188","","x-ray","1.54178","CuKα","","0.041","0.0376","","","0.0923","0.095","","","","","","1.044","","","","has coordinates","240726","2020-10-21","18:00:00",""
"4130189","19.6236","0.0014","14.018","0.002","22.9158","0.0018","90","","111.508","0.005","90","","5864.8","1.1","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C21 H20 Cl6 N2 O9 Pd2 -","- C21 H20 Cl6 N2 O9 Pd2 -","- C168 H160 Cl48 N16 O72 Pd16 -","8","2","","White, Paul B.; Jaworski, Jonathan N.; Fry, Charles G.; Dolinar, Brian S.; Guzei, Ilia A.; Stahl, Shannon S.","Structurally Diverse Diazafluorene-Ligated Palladium(II) Complexes and Their Implications for Aerobic Oxidation Reactions.","Journal of the American Chemical Society","2016","138","14","4869","4880","10.1021/jacs.6b01188","","","1.54178","CuKα","","0.026","0.0217","","","0.0529","0.0551","","","","","","1.04","","","","has coordinates","288505","2023-12-22","15:12:01",""
"4130190","12.919","0.004","14.743","0.005","25.813","0.012","89.68","0.02","85.15","0.017","66.57","0.03","4493","3","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C69 H62 Cl18 N8 O20 Pd4 -","- C69 H62 Cl18 N8 O20 Pd4 -","- C138 H124 Cl36 N16 O40 Pd8 -","2","1","","White, Paul B.; Jaworski, Jonathan N.; Fry, Charles G.; Dolinar, Brian S.; Guzei, Ilia A.; Stahl, Shannon S.","Structurally Diverse Diazafluorene-Ligated Palladium(II) Complexes and Their Implications for Aerobic Oxidation Reactions.","Journal of the American Chemical Society","2016","138","14","4869","4880","10.1021/jacs.6b01188","","x-ray","0.71073","MoKα","K-L~3~","0.0949","0.064","","","0.1402","0.1503","","","","","","1.076","","","","has coordinates,has disorder","240726","2020-10-21","18:00:00",""
"4130191","5.9835","0.0005","10.44","0.0009","12.697","0.002","73.333","0.005","88.112","0.007","88.791","0.006","759.36","0.15","100","2","100.03","","","","","","","","","6","P -1","-P 1","2","","","","- C28 H20 Cl6 N4 O6 Pd -","- C28 H20 Cl6 N4 O6 Pd -","- C28 H20 Cl6 N4 O6 Pd -","1","0.5","","White, Paul B.; Jaworski, Jonathan N.; Fry, Charles G.; Dolinar, Brian S.; Guzei, Ilia A.; Stahl, Shannon S.","Structurally Diverse Diazafluorene-Ligated Palladium(II) Complexes and Their Implications for Aerobic Oxidation Reactions.","Journal of the American Chemical Society","2016","138","14","4869","4880","10.1021/jacs.6b01188","","x-ray","1.54178","CuKα","K-L~3~","0.0245","0.0226","","","0.0543","0.0551","","","","","","1.068","","","","has coordinates","240726","2020-10-21","18:00:00",""
"4130192","11.337","0.004","20.912","0.008","13.689","0.005","90","","97.432","0.016","90","","3218","2","100","2","100","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C22.87 H25.87 Cl5.6 N2 O8 Pd2 -","- C22.8697 H25.8697 Cl5.6091 N2 O8 Pd2 -","- C91.4788 H103.479 Cl22.4364 N8 O32 Pd8 -","4","1","","White, Paul B.; Jaworski, Jonathan N.; Fry, Charles G.; Dolinar, Brian S.; Guzei, Ilia A.; Stahl, Shannon S.","Structurally Diverse Diazafluorene-Ligated Palladium(II) Complexes and Their Implications for Aerobic Oxidation Reactions.","Journal of the American Chemical Society","2016","138","14","4869","4880","10.1021/jacs.6b01188","","x-ray","0.71073","MoKα","K-L~3~","0.0226","0.0197","","","0.0477","0.0495","","","","","","1.071","","","","has coordinates,has disorder","240726","2020-10-21","18:00:00",""
"4130193","10.376","0.003","12.988","0.002","17.735","0.003","90","","101.52","0.014","90","","2341.9","0.9","100","","100","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C18.47 H19.47 Cl4.42 N2 O4 Pd -","- C18.4718 H19.4718 Cl4.4154 N2 O4 Pd -","- C73.8872 H77.8872 Cl17.6616 N8 O16 Pd4 -","4","1","","White, Paul B.; Jaworski, Jonathan N.; Fry, Charles G.; Dolinar, Brian S.; Guzei, Ilia A.; Stahl, Shannon S.","Structurally Diverse Diazafluorene-Ligated Palladium(II) Complexes and Their Implications for Aerobic Oxidation Reactions.","Journal of the American Chemical Society","2016","138","14","4869","4880","10.1021/jacs.6b01188","","x-ray","1.54178","CuKα","K-L~3~","0.0253","0.0247","","","0.0719","0.0723","","","","","","1.176","","","","has coordinates,has disorder","240726","2020-10-21","18:00:00",""
"4130194","14.8547","0.0016","16.258","0.003","15.2201","0.0013","90","","115.105","0.006","90","","3328.5","0.8","200","","200","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C23 H8 F18 N2 O13 Pd2 -","- C23 H8 F18 N2 O13 Pd2 -","- C92 H32 F72 N8 O52 Pd8 -","4","1","","White, Paul B.; Jaworski, Jonathan N.; Fry, Charles G.; Dolinar, Brian S.; Guzei, Ilia A.; Stahl, Shannon S.","Structurally Diverse Diazafluorene-Ligated Palladium(II) Complexes and Their Implications for Aerobic Oxidation Reactions.","Journal of the American Chemical Society","2016","138","14","4869","4880","10.1021/jacs.6b01188","","x-ray","1.54178","CuKα","","0.0429","0.036","","","0.0972","0.103","","","","","","1.021","","","","has coordinates,has disorder","240726","2020-10-21","18:00:00",""
"4130195","11.0499","0.001","11.1974","0.0009","11.2382","0.0007","96.618","0.003","114.186","0.003","99.355","0.005","1225.77","0.17","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C19 H8 F12 N2 O9 Pd -","- C19 H8 F12 N2 O9 Pd -","- C38 H16 F24 N4 O18 Pd2 -","2","1","","White, Paul B.; Jaworski, Jonathan N.; Fry, Charles G.; Dolinar, Brian S.; Guzei, Ilia A.; Stahl, Shannon S.","Structurally Diverse Diazafluorene-Ligated Palladium(II) Complexes and Their Implications for Aerobic Oxidation Reactions.","Journal of the American Chemical Society","2016","138","14","4869","4880","10.1021/jacs.6b01188","","x-ray","1.54178","CuKα","","0.0218","0.0218","","","0.0568","0.0568","","","","","","1.134","","","","has coordinates","240726","2020-10-21","18:00:00",""
"4130196","12.971","0.005","13.996","0.004","15.387","0.004","73.854","0.017","72.031","0.006","80.916","0.007","2544.4","1.4","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C43.54 H49.54 Cl4.63 N4 O10 Pd2 -","- C43.531 H49.531 Cl4.593 N4 O10 Pd2 -","- C87.062 H99.062 Cl9.186 N8 O20 Pd4 -","2","1","","White, Paul B.; Jaworski, Jonathan N.; Fry, Charles G.; Dolinar, Brian S.; Guzei, Ilia A.; Stahl, Shannon S.","Structurally Diverse Diazafluorene-Ligated Palladium(II) Complexes and Their Implications for Aerobic Oxidation Reactions.","Journal of the American Chemical Society","2016","138","14","4869","4880","10.1021/jacs.6b01188","","x-ray","0.71073","MoKα","","0.0679","0.0653","","","0.1446","0.1458","","","","","","1.287","","","","has coordinates,has disorder","240726","2020-10-21","18:00:00",""
"4130197","24.5357","0.001","8.7047","0.0004","26.4314","0.001","90","","122.616","0.002","90","","4754.9","0.4","100","","99.99","","","","","","","","","6","P 1 2/c 1","-P 2yc","13","","","","- C50 H12 F20 N4 O10 Pd2 -","- C50 H12 F20 N4 O10 Pd2 -","- C200 H48 F80 N16 O40 Pd8 -","4","1","","White, Paul B.; Jaworski, Jonathan N.; Fry, Charles G.; Dolinar, Brian S.; Guzei, Ilia A.; Stahl, Shannon S.","Structurally Diverse Diazafluorene-Ligated Palladium(II) Complexes and Their Implications for Aerobic Oxidation Reactions.","Journal of the American Chemical Society","2016","138","14","4869","4880","10.1021/jacs.6b01188","","x-ray","0.71073","MoKα","","0.0521","0.0344","","","0.0665","0.0727","","","","","","1.022","","","","has coordinates","240726","2020-10-21","18:00:00",""
"4130198","13.763","0.003","13.763","0.003","6.746","0.004","90","","90","","90","","1277.8","0.9","298","","298","","","","","","","","","5","P -4 21 c","P -4 2n","114","","","","- C28 H16 F6 S4 Ta -","- C28 H16 F6 S4 Ta -","- C56 H32 F12 S8 Ta2 -","2","0.25","","Kiyota, Yasuhiro; Kadoya, Tomofumi; Yamamoto, Kaoru; Iijima, Kodai; Higashino, Toshiki; Kawamoto, Tadashi; Takimiya, Kazuo; Mori, Takehiko","Benzothienobenzothiophene-Based Molecular Conductors: High Conductivity, Large Thermoelectric Power Factor, and One-Dimensional Instability.","Journal of the American Chemical Society","2016","138","11","3920","3925","10.1021/jacs.6b01213","","","0.71069","MoKα","","","0.0478","","","","0.1459","","","","","","1.019","","","","has coordinates","240727","2020-10-21","18:00:00",""
"4130199","13.7406","0.0018","13.7406","0.0018","6.744","0.003","90","","90","","90","","1273.3","0.6","293","","293","","","","","","","","","5","P -4 21 c","P -4 2n","114","","","","- C28 H16 F6 S4 Sb -","- C28 H16 F6 S4 Sb -","- C56 H32 F12 S8 Sb2 -","2","0.25","","Kiyota, Yasuhiro; Kadoya, Tomofumi; Yamamoto, Kaoru; Iijima, Kodai; Higashino, Toshiki; Kawamoto, Tadashi; Takimiya, Kazuo; Mori, Takehiko","Benzothienobenzothiophene-Based Molecular Conductors: High Conductivity, Large Thermoelectric Power Factor, and One-Dimensional Instability.","Journal of the American Chemical Society","2016","138","11","3920","3925","10.1021/jacs.6b01213","","","0.71069","MoKα","","","0.0404","","","","0.0737","","","","","","1.275","","","","has coordinates","240728","2020-10-21","18:00:00",""
"4130200","13.5835","0.0013","13.5835","0.0013","6.737","0.003","90","","90","","90","","1243.1","0.6","298","","298","","","","","","","","","5","P -4 21 c","P -4 2n","114","","","","- C28 H16 As F6 S4 -","- C28 H16 As F6 S4 -","- C56 H32 As2 F12 S8 -","2","0.25","","Kiyota, Yasuhiro; Kadoya, Tomofumi; Yamamoto, Kaoru; Iijima, Kodai; Higashino, Toshiki; Kawamoto, Tadashi; Takimiya, Kazuo; Mori, Takehiko","Benzothienobenzothiophene-Based Molecular Conductors: High Conductivity, Large Thermoelectric Power Factor, and One-Dimensional Instability.","Journal of the American Chemical Society","2016","138","11","3920","3925","10.1021/jacs.6b01213","","","0.71069","MoKα","","","0.0467","","","","0.1245","","","","","","1.049","","","","has coordinates","240730","2020-10-21","18:00:00",""
"4130201","8.8403","0.0007","9.8113","0.0007","18.8722","0.0014","90","","90","","90","","1636.9","0.2","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C19 H18 Br N O -","- C19 H18 Br N O -","- C76 H72 Br4 N4 O4 -","4","1","","Liu, Ren-Rong; Li, Bao-Le; Lu, Jun; Shen, Chong; Gao, Jian-Rong; Jia, Yi-Xia","Palladium/l-Proline-Catalyzed Enantioselective α-Arylative Desymmetrization of Cyclohexanones.","Journal of the American Chemical Society","2016","138","16","5198","5201","10.1021/jacs.6b01214","","","0.71073","MoKα","","0.0879","0.0396","","","0.0757","0.0909","","","","","","1.018","","","","has coordinates","240731","2020-10-21","18:00:00",""
"4130202","11.8131","0.001","12.9608","0.0011","26.409","0.002","90","","90","","90","","4043.4","0.6","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C12 H25 B10 Ir S2 -","- C12 H25 B10 Ir S2 -","- C96 H200 B80 Ir8 S16 -","8","1","","Zhang, Xiaolei; Dai, Huimin; Yan, Hong; Zou, Wenli; Cremer, Dieter","B-H···π Interaction: A New Type of Nonclassical Hydrogen Bonding.","Journal of the American Chemical Society","2016","138","13","4334","4337","10.1021/jacs.6b01249","","","0.71073","MoKα","","0.0431","0.0252","","","0.0592","0.0637","","","","","","1.006","","","","has coordinates","240732","2020-10-21","18:00:00",""
"4130203","16.7982","0.0014","12.1828","0.001","21.8063","0.0018","90","","109.582","0.001","90","","4204.5","0.6","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C30 H37 B10 F3 Ir P S2 -","- C30 H37 B10 F3 Ir P S2 -","- C120 H148 B40 F12 Ir4 P4 S8 -","4","1","","Zhang, Xiaolei; Dai, Huimin; Yan, Hong; Zou, Wenli; Cremer, Dieter","B-H···π Interaction: A New Type of Nonclassical Hydrogen Bonding.","Journal of the American Chemical Society","2016","138","13","4334","4337","10.1021/jacs.6b01249","","","0.71073","MoKα","","0.0386","0.0334","","","0.0994","0.1023","","","","","","1.103","","","","has coordinates","240732","2020-10-21","18:00:00",""
"4130204","11.9911","0.0012","18.2907","0.0018","19.1405","0.0018","93.963","0.002","92.945","0.001","95.033","0.001","4164.8","0.7","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C33 H46 B10 Ir O3 P S2 -","- C33 H46 B10 Ir O3 P S2 -","- C132 H184 B40 Ir4 O12 P4 S8 -","4","2","","Zhang, Xiaolei; Dai, Huimin; Yan, Hong; Zou, Wenli; Cremer, Dieter","B-H···π Interaction: A New Type of Nonclassical Hydrogen Bonding.","Journal of the American Chemical Society","2016","138","13","4334","4337","10.1021/jacs.6b01249","","","0.71073","MoKα","","0.0503","0.0414","","","0.1276","0.1336","","","","","","1.118","","","","has coordinates","240732","2020-10-21","18:00:00",""
"4130205","22.537","0.003","9.9686","0.0011","12.6468","0.0014","90","","90","","90","","2841.3","0.6","293","2","293","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C18 H40 B10 Ir P S2 -","- C18 H40 B10 Ir P S2 -","- C72 H160 B40 Ir4 P4 S8 -","4","1","","Zhang, Xiaolei; Dai, Huimin; Yan, Hong; Zou, Wenli; Cremer, Dieter","B-H···π Interaction: A New Type of Nonclassical Hydrogen Bonding.","Journal of the American Chemical Society","2016","138","13","4334","4337","10.1021/jacs.6b01249","","","0.71073","MoKα","","0.0295","0.0262","","","0.0601","0.0611","","","","","","1.013","","","","has coordinates","240732","2020-10-21","18:00:00",""
"4130206","17.2081","0.0016","11.4691","0.0011","21.3963","0.0014","90","","125.744","0.003","90","","3427.4","0.5","291","2","291","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C30 H40 B10 Ir P S2 -","- C30 H40 B10 Ir P S2 -","- C120 H160 B40 Ir4 P4 S8 -","4","1","","Zhang, Xiaolei; Dai, Huimin; Yan, Hong; Zou, Wenli; Cremer, Dieter","B-H···π Interaction: A New Type of Nonclassical Hydrogen Bonding.","Journal of the American Chemical Society","2016","138","13","4334","4337","10.1021/jacs.6b01249","","","0.71073","MoKα","","0.0603","0.0552","","","0.1349","0.1362","","","","","","1.03","","","","has coordinates","240732","2020-10-21","18:00:00",""
"4130207","15.507","0.003","19.538","0.004","22.556","0.004","90","","91.978","0.003","90","","6830","2","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C30 H37 B10 F3 Ir P S2 -","- C30 H37 B10 F3 Ir P S2 -","- C240 H296 B80 F24 Ir8 P8 S16 -","8","2","","Zhang, Xiaolei; Dai, Huimin; Yan, Hong; Zou, Wenli; Cremer, Dieter","B-H···π Interaction: A New Type of Nonclassical Hydrogen Bonding.","Journal of the American Chemical Society","2016","138","13","4334","4337","10.1021/jacs.6b01249","","","0.71073","MoKα","","0.0607","0.0434","","","0.1147","0.1261","","","","","","1.009","","","","has coordinates","240732","2020-10-21","18:00:00",""
"4130208","12.019","0.002","9.9038","0.0018","38.907","0.007","90","","93.446","0.003","90","","4622.9","1.4","296","2","296","2","","","","","","","","7","P 1 2/c 1","-P 2yc","13","","","","- C33 H46 B10 Ir O3 P S2 -","- C33 H46 B10 Ir O3 P S2 -","- C132 H184 B40 Ir4 O12 P4 S8 -","4","1","","Zhang, Xiaolei; Dai, Huimin; Yan, Hong; Zou, Wenli; Cremer, Dieter","B-H···π Interaction: A New Type of Nonclassical Hydrogen Bonding.","Journal of the American Chemical Society","2016","138","13","4334","4337","10.1021/jacs.6b01249","","","0.71073","MoKα","","0.034","0.0299","","","0.0763","0.0778","","","","","","1.179","","","","has coordinates","240732","2020-10-21","18:00:00",""
"4130209","9.1894","0.0008","10.8105","0.001","14.5584","0.0013","85.042","0.001","89.59","0.001","74.622","0.001","1389.1","0.2","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C18 H40 B10 Ir P S2 -","- C18 H40 B10 Ir P S2 -","- C36 H80 B20 Ir2 P2 S4 -","2","1","","Zhang, Xiaolei; Dai, Huimin; Yan, Hong; Zou, Wenli; Cremer, Dieter","B-H···π Interaction: A New Type of Nonclassical Hydrogen Bonding.","Journal of the American Chemical Society","2016","138","13","4334","4337","10.1021/jacs.6b01249","","","0.71073","MoKα","","0.0515","0.0474","","","0.1414","0.1585","","","","","","1.113","","","","has coordinates","240732","2020-10-21","18:00:00",""
"4130210","12.281","0.003","14.51","0.003","19.708","0.004","90","","101.393","0.002","90","","3442.7","1.3","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C30 H40 B10 Ir P S2 -","- C30 H40 B10 Ir P S2 -","- C120 H160 B40 Ir4 P4 S8 -","4","1","","Zhang, Xiaolei; Dai, Huimin; Yan, Hong; Zou, Wenli; Cremer, Dieter","B-H···π Interaction: A New Type of Nonclassical Hydrogen Bonding.","Journal of the American Chemical Society","2016","138","13","4334","4337","10.1021/jacs.6b01249","","","0.71073","MoKα","","0.0482","0.0405","","","0.1195","0.1367","","","","","","1.079","","","","has coordinates","240732","2020-10-21","18:00:00",""
"4130211","16.2172","0.0004","17.2657","0.0008","21.5757","0.001","85.709","0.004","68.48","0.003","64.959","0.003","5068.6","0.4","123","2","123","2","","","","","","","","3","P -1","-P 1","2","","","","- C132 H112 S8 -","- C132 H112 S8 -","- C264 H224 S16 -","2","1","","Fujikawa, Takao; Segawa, Yasutomo; Itami, Kenichiro","Synthesis and Structural Features of Quadruple Helicenes: Highly Distorted π Systems Enabled by Accumulation of Helical Repulsions.","Journal of the American Chemical Society","2016","138","10","3587","3595","10.1021/jacs.6b01303","","","0.71075","MoKα","","0.0414","0.0358","","","0.0903","0.0954","","","","","","1.036","","","","has coordinates,has disorder","240733","2020-10-21","18:00:00",""
"4130212","17.2313","0.0019","12.0935","0.0011","25.119","0.003","90","","106.951","0.002","90","","5007.1","0.9","123","2","123","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C66 H56 S4 -","- C66 H56 S4 -","- C264 H224 S16 -","4","1","","Fujikawa, Takao; Segawa, Yasutomo; Itami, Kenichiro","Synthesis and Structural Features of Quadruple Helicenes: Highly Distorted π Systems Enabled by Accumulation of Helical Repulsions.","Journal of the American Chemical Society","2016","138","10","3587","3595","10.1021/jacs.6b01303","","","0.71075","MoKα","","0.0676","0.0472","","","0.1124","0.1275","","","","","","1.058","","","","has coordinates,has disorder","240733","2020-10-21","18:00:00",""
"4130213","11.6412","0.0003","17.092","0.0004","23.7775","0.0005","90","","100.771","0.001","90","","4647.69","0.19","193","2","193","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C52 H61 Al P2 Pt -","- C52 H61 Al P2 Pt -","- C208 H244 Al4 P8 Pt4 -","4","1","","Devillard, Marc; Declercq, Richard; Nicolas, Emmanuel; Ehlers, Andreas W.; Backs, Jana; Saffon-Merceron, Nathalie; Bouhadir, Ghenwa; Slootweg, J. Chris; Uhl, Werner; Bourissou, Didier","A Significant but Constrained Geometry Pt→Al Interaction: Fixation of CO2 and CS2, Activation of H2 and PhCONH2.","Journal of the American Chemical Society","2016","138","14","4917","4926","10.1021/jacs.6b01320","","","0.71073","MoKα","","0.0526","0.0305","","","0.0679","0.076","","","","","","1.02","","","","has coordinates,has disorder","240734","2020-10-21","18:00:00",""
"4130214","12.5062","0.0009","18.9753","0.0013","21.519","0.0014","97.69","0.002","92.244","0.002","108.259","0.002","4788","0.6","193","2","193.02","","","","","","","","","6","P -1","-P 1","2","","","","- C108 H126 Al2 O4.5 P4 Pt2 -","- C108 H126 Al2 O4.5 P4 Pt2 -","- C216 H252 Al4 O9 P8 Pt4 -","2","1","","Devillard, Marc; Declercq, Richard; Nicolas, Emmanuel; Ehlers, Andreas W.; Backs, Jana; Saffon-Merceron, Nathalie; Bouhadir, Ghenwa; Slootweg, J. Chris; Uhl, Werner; Bourissou, Didier","A Significant but Constrained Geometry Pt→Al Interaction: Fixation of CO2 and CS2, Activation of H2 and PhCONH2.","Journal of the American Chemical Society","2016","138","14","4917","4926","10.1021/jacs.6b01320","","","0.71073","MoKα","","0.07","0.0478","","","0.1076","0.1163","","","","","","1.094","","","","has coordinates,has disorder","240734","2020-10-21","18:00:00",""
"4130215","20.0944","0.0015","14.1515","0.001","17.3483","0.0012","90","","100.857","0.002","90","","4845","0.6","193","2","193","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C53 H61 Al P2 Pt S2 -","- C53 H61 Al P2 Pt S2 -","- C212 H244 Al4 P8 Pt4 S8 -","4","1","","Devillard, Marc; Declercq, Richard; Nicolas, Emmanuel; Ehlers, Andreas W.; Backs, Jana; Saffon-Merceron, Nathalie; Bouhadir, Ghenwa; Slootweg, J. Chris; Uhl, Werner; Bourissou, Didier","A Significant but Constrained Geometry Pt→Al Interaction: Fixation of CO2 and CS2, Activation of H2 and PhCONH2.","Journal of the American Chemical Society","2016","138","14","4917","4926","10.1021/jacs.6b01320","","","0.71073","MoKα","","0.0479","0.0387","","","0.09","0.0949","","","","","","1.061","","","","has coordinates","240734","2020-10-21","18:00:00",""
"4130216","15.9092","0.0005","23.258","0.0006","16.4934","0.0005","90","","110.253","0.001","90","","5725.5","0.3","193","2","193","2","","","","","","","","8","C 1 c 1","C -2yc","9","","","","- C60 H70 Al Cl2 N O P2 Pt -","- C60 H70 Al Cl2 N O P2 Pt -","- C240 H280 Al4 Cl8 N4 O4 P8 Pt4 -","4","1","","Devillard, Marc; Declercq, Richard; Nicolas, Emmanuel; Ehlers, Andreas W.; Backs, Jana; Saffon-Merceron, Nathalie; Bouhadir, Ghenwa; Slootweg, J. Chris; Uhl, Werner; Bourissou, Didier","A Significant but Constrained Geometry Pt→Al Interaction: Fixation of CO2 and CS2, Activation of H2 and PhCONH2.","Journal of the American Chemical Society","2016","138","14","4917","4926","10.1021/jacs.6b01320","","","0.71073","MoKα","","0.0227","0.0199","","","0.0424","0.0435","","","","","","1.028","","","","has coordinates,has disorder","240734","2020-10-21","18:00:00",""
"4130217","15.49394","0.00009","15.49394","0.00009","12.31213","0.00015","90","","90","","90","","2955.68","0.04","7","","7","","","","","","","","","5","I 41 2 2","I 4bw 2bw","98","MFM-300 (In) 0.90 D2","","","- C8 H4 D1.82 In O5 -","- C8 H4 D1.818 In O5 -","- C64 H32 D14.544 In8 O40 -","8","0.5","","Savage, Mathew; da Silva, Ivan; Johnson, Mark; Carter, Joseph H.; Newby, Ruth; Suyetin, Mikhail; Besley, Elena; Manuel, Pascal; Rudić, Svemir; Fitch, Andrew N.; Murray, Claire; David, William I. F.; Yang, Sihai; Schröder, Martin","Observation of Binding and Rotation of Methane and Hydrogen within a Functional Metal-Organic Framework.","Journal of the American Chemical Society","2016","138","29","9119","9127","10.1021/jacs.6b01323","powder diffraction","neutron","","neutron","","","","","","","","","","3.38841","","","","","","","has coordinates","240735","2020-10-21","18:00:00",""
"4130218","15.49227","0.0001","15.49227","0.0001","12.31047","0.00018","90","","90","","90","","2954.64","0.05","7","","7","","","","","","","","","5","I 41 2 2","I 4bw 2bw","98","MFM-300 (In) 1.60 D2","","","- C8 H4 D3.21 In O5 -","- C8 H4 D3.206 In O5 -","- C64 H32 D25.648 In8 O40 -","8","0.5","","Savage, Mathew; da Silva, Ivan; Johnson, Mark; Carter, Joseph H.; Newby, Ruth; Suyetin, Mikhail; Besley, Elena; Manuel, Pascal; Rudić, Svemir; Fitch, Andrew N.; Murray, Claire; David, William I. F.; Yang, Sihai; Schröder, Martin","Observation of Binding and Rotation of Methane and Hydrogen within a Functional Metal-Organic Framework.","Journal of the American Chemical Society","2016","138","29","9119","9127","10.1021/jacs.6b01323","powder diffraction","neutron","","neutron","","","","","","","","","","3.88994","","","","","","","has coordinates","240735","2020-10-21","18:00:00",""
"4130219","15.48888","0.00013","15.48888","0.00013","12.30827","0.00019","90","","90","","90","","2952.82","0.06","7","","7","","","","","","","","","5","I 41 2 2","I 4bw 2bw","98","MFM-300 (In) 2.99 D2","","","- C8 H4 D5.98 In O5 -","- C8 H4 D5.978 In O5 -","- C64 H32 D47.824 In8 O40 -","8","0.5","","Savage, Mathew; da Silva, Ivan; Johnson, Mark; Carter, Joseph H.; Newby, Ruth; Suyetin, Mikhail; Besley, Elena; Manuel, Pascal; Rudić, Svemir; Fitch, Andrew N.; Murray, Claire; David, William I. F.; Yang, Sihai; Schröder, Martin","Observation of Binding and Rotation of Methane and Hydrogen within a Functional Metal-Organic Framework.","Journal of the American Chemical Society","2016","138","29","9119","9127","10.1021/jacs.6b01323","powder diffraction","neutron","","neutron","","","","","","","","","","4.18031","","","","","","","has coordinates","240735","2020-10-21","18:00:00",""
"4130220","15.48281","0.00012","15.48281","0.00012","12.3009","0.0002","90","","90","","90","","2948.74","0.06","7","","7","","","","","","","","","5","I 41 2 2","I 4bw 2bw","98","MFM-300 (In) 4.83 D2","","","- C8 H4 D9.67 In O5 -","- C8 H4 D9.67 In O5 -","- C64 H32 D77.36 In8 O40 -","8","0.5","","Savage, Mathew; da Silva, Ivan; Johnson, Mark; Carter, Joseph H.; Newby, Ruth; Suyetin, Mikhail; Besley, Elena; Manuel, Pascal; Rudić, Svemir; Fitch, Andrew N.; Murray, Claire; David, William I. F.; Yang, Sihai; Schröder, Martin","Observation of Binding and Rotation of Methane and Hydrogen within a Functional Metal-Organic Framework.","Journal of the American Chemical Society","2016","138","29","9119","9127","10.1021/jacs.6b01323","powder diffraction","neutron","","neutron","","","","","","","","","","4.66617","","","","","","","has coordinates","240735","2020-10-21","18:00:00",""
"4130221","15.49785","0.00017","15.49785","0.00017","12.3052","0.0002","90","","90","","90","","2955.5","0.07","","","7","","","","","","","","","5","I 41 2 2","I 4bw 2bw","98","MFM-300 (In) 6.08 D2","","","- C8 H4 D12.17 In O5 -","- C8 H4 D12.168 In O5 -","- C64 H32 D97.344 In8 O40 -","8","0.5","","Savage, Mathew; da Silva, Ivan; Johnson, Mark; Carter, Joseph H.; Newby, Ruth; Suyetin, Mikhail; Besley, Elena; Manuel, Pascal; Rudić, Svemir; Fitch, Andrew N.; Murray, Claire; David, William I. F.; Yang, Sihai; Schröder, Martin","Observation of Binding and Rotation of Methane and Hydrogen within a Functional Metal-Organic Framework.","Journal of the American Chemical Society","2016","138","29","9119","9127","10.1021/jacs.6b01323","powder diffraction","neutron","","neutron","","","","","","","","","","5.45194","","","","","","","has coordinates","240735","2020-10-21","18:00:00",""
"4130222","15.46363","0.00005","15.46363","0.00005","12.29044","0.0001","90","","90","","90","","2938.94","0.03","7","","7","","","","","","","","","4","I 41 2 2","I 4bw 2bw","98","NOTT-300 (In) Desolvated","","","- C8 H4 In O5 -","- C8 H4 In O5 -","- C64 H32 In8 O40 -","8","0.5","","Savage, Mathew; da Silva, Ivan; Johnson, Mark; Carter, Joseph H.; Newby, Ruth; Suyetin, Mikhail; Besley, Elena; Manuel, Pascal; Rudić, Svemir; Fitch, Andrew N.; Murray, Claire; David, William I. F.; Yang, Sihai; Schröder, Martin","Observation of Binding and Rotation of Methane and Hydrogen within a Functional Metal-Organic Framework.","Journal of the American Chemical Society","2016","138","29","9119","9127","10.1021/jacs.6b01323","powder diffraction","neutron","","neutron","","","","","","","","","","1.89138","","","","","","","has coordinates","240736","2020-10-21","18:00:00",""
"4130223","15.46363","0.00005","15.46363","0.00005","12.29044","0.0001","90","","90","","90","","2938.94","0.03","7","","7","","","","","","","","","5","I 41 2 2","I 4bw 2bw","98","NOTT-300 (In) 1.09 CD4","","","- C9.09 H4 D4.35 In O5 -","- C9.088 H4 D4.352 In O5 -","- C72.704 H32 D34.816 In8 O40 -","8","0.5","","Savage, Mathew; da Silva, Ivan; Johnson, Mark; Carter, Joseph H.; Newby, Ruth; Suyetin, Mikhail; Besley, Elena; Manuel, Pascal; Rudić, Svemir; Fitch, Andrew N.; Murray, Claire; David, William I. F.; Yang, Sihai; Schröder, Martin","Observation of Binding and Rotation of Methane and Hydrogen within a Functional Metal-Organic Framework.","Journal of the American Chemical Society","2016","138","29","9119","9127","10.1021/jacs.6b01323","powder diffraction","neutron","","neutron","","","","","","","","","","1.88888","","","","","","","has coordinates","240736","2020-10-21","18:00:00",""
"4130224","15.43745","0.0001","15.43745","0.0001","12.2848","0.0002","90","","90","","90","","2927.65","0.05","7","","7","","","","","","","","","5","I 41 2 2","I 4bw 2bw","98","NOTT-300 (In) 2.09 CD4","","","- C10.09 H4 D8.36 In O5 -","- C10.09 H4 D8.36 In O5 -","- C80.72 H32 D66.88 In8 O40 -","8","0.5","","Savage, Mathew; da Silva, Ivan; Johnson, Mark; Carter, Joseph H.; Newby, Ruth; Suyetin, Mikhail; Besley, Elena; Manuel, Pascal; Rudić, Svemir; Fitch, Andrew N.; Murray, Claire; David, William I. F.; Yang, Sihai; Schröder, Martin","Observation of Binding and Rotation of Methane and Hydrogen within a Functional Metal-Organic Framework.","Journal of the American Chemical Society","2016","138","29","9119","9127","10.1021/jacs.6b01323","powder diffraction","neutron","","neutron","","","","","","","","","","5.11525","","","","","","","has coordinates","240736","2020-10-21","18:00:00",""
"4130225","15.5019","0.0003","15.5019","0.0003","12.306","0.0003","90","","90","","90","","2957.24","0.11","7","","7","","","","","","","","","5","I 41 2 2","I 4bw 2bw","98","NOTT-300 (In) 3.11 CD4","","","- C11.11 H4 D12.44 In O5 -","- C11.11 H4 D12.44 In O5 -","- C88.88 H32 D99.52 In8 O40 -","8","0.5","","Savage, Mathew; da Silva, Ivan; Johnson, Mark; Carter, Joseph H.; Newby, Ruth; Suyetin, Mikhail; Besley, Elena; Manuel, Pascal; Rudić, Svemir; Fitch, Andrew N.; Murray, Claire; David, William I. F.; Yang, Sihai; Schröder, Martin","Observation of Binding and Rotation of Methane and Hydrogen within a Functional Metal-Organic Framework.","Journal of the American Chemical Society","2016","138","29","9119","9127","10.1021/jacs.6b01323","powder diffraction","neutron","","neutron","","","","","","","","","","5.47246","","","","","","","has coordinates","240736","2020-10-21","18:00:00",""
"4130226","9.6472","0.0002","14.2251","0.0004","26.6001","0.0007","90","","93.415","0.0014","90","","3643.91","0.16","100","2","100.04","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C131 H112 F48 N16 O P8 -","- C131 H112 F48 N16 O P8 -","- C131 H112 F48 N16 O P8 -","1","0.25","","Dale, Edward J.; Ferris, Daniel P.; Vermeulen, Nicolaas A.; Henkelis, James J.; Popovs, Ilja; Juríček, Michal; Barnes, Jonathan C.; Schneebeli, Severin T.; Stoddart, J. Fraser","Cooperative Reactivity in an Extended-Viologen-Based Cyclophane.","Journal of the American Chemical Society","2016","138","11","3667","3670","10.1021/jacs.6b01368","","","0.71073","MoKα","","0.107","0.0744","","","0.2018","0.2238","","","","","","1.067","","","","has coordinates,has disorder","240737","2020-10-21","18:00:00",""
"4130227","10.5028","0.0007","11.0221","0.0007","21.9016","0.0015","82.419","0.004","82.604","0.004","63.647","0.003","2245","0.3","100","2","99.99","","","","","","","","","6","P -1","-P 1","2","","","","- C77 H60 F24 N6 O P4 -","- C77 H60 F24 N6 O P4 -","- C77 H60 F24 N6 O P4 -","1","0.5","","Dale, Edward J.; Ferris, Daniel P.; Vermeulen, Nicolaas A.; Henkelis, James J.; Popovs, Ilja; Juríček, Michal; Barnes, Jonathan C.; Schneebeli, Severin T.; Stoddart, J. Fraser","Cooperative Reactivity in an Extended-Viologen-Based Cyclophane.","Journal of the American Chemical Society","2016","138","11","3667","3670","10.1021/jacs.6b01368","","","0.71073","MoKα","","0.1348","0.0725","","","0.1986","0.2206","","","","","","1.074","","","","has coordinates,has disorder","240738","2020-10-21","18:00:00",""
"4130228","11.465","0.002","22.063","0.004","23.253","0.004","90","","90","","90","","5881.9","1.8","100","2","99.97","","","","","","","","","5","I c m a","-I 2b 2b","72","","","","- C42 H35 F24 N5 P4 -","- C42 H35 F24 N5 P4 -","- C168 H140 F96 N20 P16 -","4","0.25","","Dale, Edward J.; Ferris, Daniel P.; Vermeulen, Nicolaas A.; Henkelis, James J.; Popovs, Ilja; Juríček, Michal; Barnes, Jonathan C.; Schneebeli, Severin T.; Stoddart, J. Fraser","Cooperative Reactivity in an Extended-Viologen-Based Cyclophane.","Journal of the American Chemical Society","2016","138","11","3667","3670","10.1021/jacs.6b01368","","","1.54184","CuKα","","0.058","0.056","","","0.173","0.1756","","","","","","1.152","","","","has coordinates,has disorder","240739","2020-10-21","18:00:00",""
"4130229","24.3589","0.0017","16.5544","0.0012","10.64","0.0007","90","","108.44","0.003","90","","4070.3","0.5","100","2","100","","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C92 H68 F24 N6 P4 -","- C92 H68 F24 N6 P4 -","- C184 H136 F48 N12 P8 -","2","0.25","","Dale, Edward J.; Ferris, Daniel P.; Vermeulen, Nicolaas A.; Henkelis, James J.; Popovs, Ilja; Juríček, Michal; Barnes, Jonathan C.; Schneebeli, Severin T.; Stoddart, J. Fraser","Cooperative Reactivity in an Extended-Viologen-Based Cyclophane.","Journal of the American Chemical Society","2016","138","11","3667","3670","10.1021/jacs.6b01368","","","1.54178","CuKα","","0.1182","0.1148","","","0.4426","0.4576","","","","","","2.464","","","","has coordinates,has disorder","240740","2020-10-21","18:00:00",""
"4130230","24.3589","0.0017","16.5544","0.0012","10.64","0.0007","90","","108.44","0.003","90","","4070.3","0.5","100","2","100","","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C76 H58 F24 N6 P4 -","- C76 H58 F24 N6 P4 -","- C152 H116 F48 N12 P8 -","2","0.25","","Dale, Edward J.; Ferris, Daniel P.; Vermeulen, Nicolaas A.; Henkelis, James J.; Popovs, Ilja; Juríček, Michal; Barnes, Jonathan C.; Schneebeli, Severin T.; Stoddart, J. Fraser","Cooperative Reactivity in an Extended-Viologen-Based Cyclophane.","Journal of the American Chemical Society","2016","138","11","3667","3670","10.1021/jacs.6b01368","","","1.54184","CuKα","","0.1111","0.1068","","","0.2911","0.2955","","","","","","1.08","","","","has coordinates,has disorder","240741","2020-10-21","18:00:00",""
"4130231","3.7693","0.0004","8.5103","0.0011","14.0577","0.0017","93.315","0.007","91.465","0.006","94.628","0.007","448.51","0.09","98","","98","","","","","","","","","5","P -1","-P 1","2","","","","- C7 H10 B N O4 -","- C7 H10 B N O4 -","- C14 H20 B2 N2 O8 -","2","1","","Mfuh, Adelphe M.; Doyle, John D.; Chhetri, Bhuwan; Arman, Hadi D.; Larionov, Oleg V.","Scalable, Metal- and Additive-Free, Photoinduced Borylation of Haloarenes and Quaternary Arylammonium Salts.","Journal of the American Chemical Society","2016","138","9","2985","2988","10.1021/jacs.6b01376","","","0.71075","MoKα","","0.0861","0.0663","","","0.1328","0.1436","","","","","","1.008","","","","has coordinates,has disorder","240742","2020-10-21","18:00:00",""
"4130232","9.477","0.005","10.236","0.005","17.108","0.009","79.721","0.009","75.293","0.008","73.022","0.009","1525.5","1.4","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C28 H48 Si2 U -","- C28 H48 Si2 U -","- C56 H96 Si4 U2 -","2","1","","Zhang, Lei; Hou, Guohua; Zi, Guofu; Ding, Wanjian; Walter, Marc D.","Influence of the 5f Orbitals on the Bonding and Reactivity in Organoactinides: Experimental and Computational Studies on a Uranium Metallacyclopropene.","Journal of the American Chemical Society","2016","138","15","5130","5142","10.1021/jacs.6b01391","","","0.71073","MoKα","","0.0526","0.0443","","","0.1175","0.1274","","","","","","1.078","","","","has coordinates","240743","2020-10-21","18:00:00",""
"4130233","10.679","0.004","10.686","0.004","18.045","0.007","75.212","0.006","89.597","0.006","67.141","0.005","1824.8","1.2","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C48 H50 U -","- C48 H50 U -","- C96 H100 U2 -","2","1","","Zhang, Lei; Hou, Guohua; Zi, Guofu; Ding, Wanjian; Walter, Marc D.","Influence of the 5f Orbitals on the Bonding and Reactivity in Organoactinides: Experimental and Computational Studies on a Uranium Metallacyclopropene.","Journal of the American Chemical Society","2016","138","15","5130","5142","10.1021/jacs.6b01391","","","0.71073","MoKα","","0.0386","0.0321","","","0.0686","0.0711","","","","","","1.022","","","","has coordinates","240743","2020-10-21","18:00:00",""
"4130234","10.937","0.004","20.247","0.007","16.033","0.006","90","","92.007","0.007","90","","3548","2","100","2","100","2","","","","","","","","4","P 1 n 1","P -2yac","7","","","","- C36 H54 Si2 U -","- C36 H54 Si2 U -","- C144 H216 Si8 U4 -","4","2","","Zhang, Lei; Hou, Guohua; Zi, Guofu; Ding, Wanjian; Walter, Marc D.","Influence of the 5f Orbitals on the Bonding and Reactivity in Organoactinides: Experimental and Computational Studies on a Uranium Metallacyclopropene.","Journal of the American Chemical Society","2016","138","15","5130","5142","10.1021/jacs.6b01391","","","0.71073","MoKα","","0.0561","0.0433","","","0.0757","0.0812","","","","","","0.968","","","","has coordinates","240743","2020-10-21","18:00:00",""
"4130235","10.638","0.003","17.957","0.005","16.468","0.005","90","","96.93","0.005","90","","3122.8","1.6","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C30 H48 Si2 U -","- C30 H48 Si2 U -","- C120 H192 Si8 U4 -","4","1","","Zhang, Lei; Hou, Guohua; Zi, Guofu; Ding, Wanjian; Walter, Marc D.","Influence of the 5f Orbitals on the Bonding and Reactivity in Organoactinides: Experimental and Computational Studies on a Uranium Metallacyclopropene.","Journal of the American Chemical Society","2016","138","15","5130","5142","10.1021/jacs.6b01391","","","0.71073","MoKα","","0.0517","0.0391","","","0.0855","0.091","","","","","","0.972","","","","has coordinates","240743","2020-10-21","18:00:00",""
"4130236","10.067","0.003","13.204","0.004","15.629","0.005","91.041","0.006","93.523","0.005","106.663","0.005","1985.1","1.1","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C46 H52 N2 U -","- C46 H52 N2 U -","- C92 H104 N4 U2 -","2","1","","Zhang, Lei; Hou, Guohua; Zi, Guofu; Ding, Wanjian; Walter, Marc D.","Influence of the 5f Orbitals on the Bonding and Reactivity in Organoactinides: Experimental and Computational Studies on a Uranium Metallacyclopropene.","Journal of the American Chemical Society","2016","138","15","5130","5142","10.1021/jacs.6b01391","","","0.71073","MoKα","","0.0476","0.0365","","","0.0716","0.0759","","","","","","1.017","","","","has coordinates","240743","2020-10-21","18:00:00",""
"4130237","10","0.005","10.239","0.005","30.016","0.015","88.261","0.01","88.141","0.01","89.215","0.011","3070","3","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C72 H92 N4 U2 -","- C72 H92 N4 U2 -","- C144 H184 N8 U4 -","2","1","","Zhang, Lei; Hou, Guohua; Zi, Guofu; Ding, Wanjian; Walter, Marc D.","Influence of the 5f Orbitals on the Bonding and Reactivity in Organoactinides: Experimental and Computational Studies on a Uranium Metallacyclopropene.","Journal of the American Chemical Society","2016","138","15","5130","5142","10.1021/jacs.6b01391","","","0.71073","MoKα","","0.1127","0.0657","","","0.1267","0.1461","","","","","","1.01","","","","has coordinates,has disorder","240743","2020-10-21","18:00:00",""
"4130238","10.435","0.004","20.16","0.009","20.298","0.009","64.74","0.008","83.339","0.009","82.279","0.008","3819","3","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C46 H50 N2 U -","- C46 H50 N2 U -","- C184 H200 N8 U4 -","4","2","","Zhang, Lei; Hou, Guohua; Zi, Guofu; Ding, Wanjian; Walter, Marc D.","Influence of the 5f Orbitals on the Bonding and Reactivity in Organoactinides: Experimental and Computational Studies on a Uranium Metallacyclopropene.","Journal of the American Chemical Society","2016","138","15","5130","5142","10.1021/jacs.6b01391","","","0.71073","MoKα","","0.1143","0.0577","","","0.0992","0.1185","","","","","","0.943","","","","has coordinates","240743","2020-10-21","18:00:00",""
"4130239","11.055","0.004","15.371","0.006","17.245","0.007","90","","90.119","0.007","90","","2930","2","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C30 H51 N3 U -","- C30 H51 N3 U -","- C120 H204 N12 U4 -","4","1","","Zhang, Lei; Hou, Guohua; Zi, Guofu; Ding, Wanjian; Walter, Marc D.","Influence of the 5f Orbitals on the Bonding and Reactivity in Organoactinides: Experimental and Computational Studies on a Uranium Metallacyclopropene.","Journal of the American Chemical Society","2016","138","15","5130","5142","10.1021/jacs.6b01391","","","0.71073","MoKα","","0.052","0.0359","","","0.0685","0.0742","","","","","","0.974","","","","has coordinates","240743","2020-10-21","18:00:00",""
"4130240","18.785","0.006","11.512","0.004","19.584","0.006","90","","101.439","0.005","90","","4151","2","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C41 H70 N2 Si2 U -","- C41 H70 N2 Si2 U -","- C164 H280 N8 Si8 U4 -","4","1","","Zhang, Lei; Hou, Guohua; Zi, Guofu; Ding, Wanjian; Walter, Marc D.","Influence of the 5f Orbitals on the Bonding and Reactivity in Organoactinides: Experimental and Computational Studies on a Uranium Metallacyclopropene.","Journal of the American Chemical Society","2016","138","15","5130","5142","10.1021/jacs.6b01391","","","0.71073","MoKα","","0.0619","0.041","","","0.0871","0.0957","","","","","","1.034","","","","has coordinates,has disorder","240743","2020-10-21","18:00:00",""
"4130241","10.2536","0.0017","14.957","0.003","20.016","0.003","90","","95.213","0.003","90","","3057","0.9","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C34 H44 N2 U -","- C34 H44 N2 U -","- C136 H176 N8 U4 -","4","1","","Zhang, Lei; Hou, Guohua; Zi, Guofu; Ding, Wanjian; Walter, Marc D.","Influence of the 5f Orbitals on the Bonding and Reactivity in Organoactinides: Experimental and Computational Studies on a Uranium Metallacyclopropene.","Journal of the American Chemical Society","2016","138","15","5130","5142","10.1021/jacs.6b01391","","","0.71073","MoKα","","0.0585","0.0332","","","0.0623","0.0693","","","","","","0.97","","","","has coordinates,has disorder","240743","2020-10-21","18:00:00",""
"4130242","10.4496","0.0005","21.0182","0.001","23.6119","0.001","114.188","0.002","96.984","0.003","97.993","0.002","4592.2","0.4","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C206 H162 N4 -","- C206 H162 N4 -","- C206 H162 N4 -","1","0.5","","Jiang, Xing; O'Brien, Zachary J; Yang, Song; Lai, Lan Huong; Buenaflor, Jeffrey; Tan, Colleen; Khan, Saeed; Houk, K. N.; Garcia-Garibay, Miguel A","Crystal Fluidity Reflected by Fast Rotational Motion at the Core, Branches, and Peripheral Aromatic Groups of a Dendrimeric Molecular Rotor.","Journal of the American Chemical Society","2016","138","13","4650","4656","10.1021/jacs.6b01398","","","1.54178","CuKα","","0.061","0.0492","","","0.1397","0.1487","","","","","","1.054","","","","has coordinates,has disorder","240744","2020-10-21","18:00:00",""
"4130243","6.90752","0.00009","7.97355","0.00009","15.9186","0.0002","90","","100.406","0.0012","90","","862.336","0.019","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C21 H22 N2 O4 -","- C21 H22 N2 O4 -","- C42 H44 N4 O8 -","2","1","","Kirillova, Mariia S.; Muratore, Michael E.; Dorel, Ruth; Echavarren, Antonio M.","Concise Total Synthesis of Lundurines A-C Enabled by Gold Catalysis and a Homodienyl Retro-Ene/Ene Isomerization.","Journal of the American Chemical Society","2016","138","11","3671","3674","10.1021/jacs.6b01428","","","0.7107","MoKα","","0.0331","0.0286","","","0.0825","0.0849","","","","","","1.024","","","","has coordinates,has disorder","240745","2020-10-21","18:00:00",""
"4130244","10.2983","0.0009","8.8605","0.0008","12.0623","0.0011","90","","93.01","0.003","90","","1099.14","0.17","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C22 H29 I N2 O3 -","- C22 H29 I N2 O3 -","- C44 H58 I2 N4 O6 -","2","1","","Kirillova, Mariia S.; Muratore, Michael E.; Dorel, Ruth; Echavarren, Antonio M.","Concise Total Synthesis of Lundurines A-C Enabled by Gold Catalysis and a Homodienyl Retro-Ene/Ene Isomerization.","Journal of the American Chemical Society","2016","138","11","3671","3674","10.1021/jacs.6b01428","","","0.71073","MoKα","","0.0942","0.0798","","","0.1982","0.21","","","","","","1.031","","","","has coordinates,has disorder","240746","2020-10-21","18:00:00",""
"4130245","20.6494","0.0003","12.6339","0.0002","6.81766","0.00011","90","","90","","90","","1778.61","0.05","100","2","100","2","","","","","","","","4","P 21 21 2","P 2 2ab","18","","","","- C21 H22 N2 O4 -","- C21 H22 N2 O4 -","- C84 H88 N8 O16 -","4","1","","Kirillova, Mariia S.; Muratore, Michael E.; Dorel, Ruth; Echavarren, Antonio M.","Concise Total Synthesis of Lundurines A-C Enabled by Gold Catalysis and a Homodienyl Retro-Ene/Ene Isomerization.","Journal of the American Chemical Society","2016","138","11","3671","3674","10.1021/jacs.6b01428","","","0.7107","MoKα","","0.0385","0.0316","","","0.0879","0.0912","","","","","","1.044","","","","has coordinates","240747","2020-10-21","18:00:00",""
"4130246","5.8695","0.0003","9.7673","0.0005","33.518","0.0018","90","","90","","90","","1921.56","0.17","133","2","133","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C21 H20 N2 O6 -","- C21 H20 N2 O6 -","- C84 H80 N8 O24 -","4","1","","Park, Jung-Woo; Chen, Zhiwei; Dong, Vy M.","Rhodium-Catalyzed Enantioselective Cycloisomerization to Cyclohexenes Bearing Quaternary Carbon Centers.","Journal of the American Chemical Society","2016","138","10","3310","3313","10.1021/jacs.6b01445","","","0.71073","MoKα","","0.0334","0.0304","","","0.0742","0.076","","","","","","1.032","","","","has coordinates","240748","2020-10-21","18:00:00",""
"4130247","5.7277","0.0003","6.9124","0.0004","15.0468","0.0009","90","","97.42","0.004","90","","590.75","0.06","123","","123","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C14 H11 N O4 -","- C14 H11 N O4 -","- C28 H22 N2 O8 -","2","1","","Kawamata, Yu; Hashimoto, Takuya; Maruoka, Keiji","A Chiral Electrophilic Selenium Catalyst for Highly Enantioselective Oxidative Cyclization.","Journal of the American Chemical Society","2016","138","16","5206","5209","10.1021/jacs.6b01462","","","1.54187","CuKα","","0.0613","0.0427","","","0.0929","0.1163","","","","","","1.091","","","","has coordinates","240749","2020-10-21","18:00:00",""
"4130248","6.322","0.003","11.622","0.006","12.849","0.006","97.27","0.02","90.705","0.009","100.009","0.014","921.7","0.8","93","2","93","2","","","","","","","","3","P -1","-P 1","2","","","","- C20 H30 O3 -","- C20 H30 O3 -","- C40 H60 O6 -","2","1","","Kawamata, Yu; Hashimoto, Takuya; Maruoka, Keiji","A Chiral Electrophilic Selenium Catalyst for Highly Enantioselective Oxidative Cyclization.","Journal of the American Chemical Society","2016","138","16","5206","5209","10.1021/jacs.6b01462","","","1.54187","CuKα","","0.0586","0.0503","","","0.1243","0.1271","","","","","","1.039","","","","has coordinates","240750","2020-10-21","18:00:00",""
"4130249","25.1792","0.0005","9.4169","0.0002","32.0162","0.0006","90","","105.52","0.001","90","","7314.6","0.3","123","2","123","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C26 H33 N O5 -","- C26 H33 N O5 -","- C312 H396 N12 O60 -","12","6","","Kawamata, Yu; Hashimoto, Takuya; Maruoka, Keiji","A Chiral Electrophilic Selenium Catalyst for Highly Enantioselective Oxidative Cyclization.","Journal of the American Chemical Society","2016","138","16","5206","5209","10.1021/jacs.6b01462","","","1.54187","CuKα","","0.1311","0.0706","","","0.1731","0.2536","","","","","","1.077","","","","has coordinates","255262","2020-10-21","18:00:00",""
"4130250","11.885","0.005","14.91","0.006","15.662","0.006","90","","83.841","0.013","90","","2759.4","1.9","120","2","120","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C25 H16 Al F15 O2 Si -","- C25 H16 Al F15 O2 Si -","- C100 H64 Al4 F60 O8 Si4 -","4","1","","Chen, Jiawei; Falivene, Laura; Caporaso, Lucia; Cavallo, Luigi; Chen, Eugene Y.-X.","Selective Reduction of CO2 to CH4 by Tandem Hydrosilylation with Mixed Al/B Catalysts.","Journal of the American Chemical Society","2016","138","16","5321","5333","10.1021/jacs.6b01497","","","0.71073","MoKα","","0.0399","0.028","","","0.0554","0.0603","","","","","","1.018","","","","has coordinates","240752","2020-10-21","18:00:00",""
"4130251","9.3295","0.0019","10.959","0.002","14.335","0.003","105.772","0.005","90.51","0.006","103.244","0.005","1369","0.5","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","","","- C25 H16 B F15 O2 Si -","- C25 H16 B F15 O2 Si -","- C50 H32 B2 F30 O4 Si2 -","2","1","","Chen, Jiawei; Falivene, Laura; Caporaso, Lucia; Cavallo, Luigi; Chen, Eugene Y.-X.","Selective Reduction of CO2 to CH4 by Tandem Hydrosilylation with Mixed Al/B Catalysts.","Journal of the American Chemical Society","2016","138","16","5321","5333","10.1021/jacs.6b01497","","","0.71073","MoKα","","0.0688","0.0381","","","0.0726","0.0853","","","","","","1.018","","","","has coordinates","240753","2020-10-21","18:00:00",""
"4130252","11.788","0.006","15.996","0.009","19.544","0.011","90","","102.051","0.017","90","","3604","3","450","2","450","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C40 H34 Fe N8 -","- C40 H34 Fe N8 -","- C160 H136 Fe4 N32 -","4","1","","Travieso-Puente, Raquel; Broekman, J. O. P.; Chang, Mu-Chieh; Demeshko, Serhiy; Meyer, Franc; Otten, Edwin","Spin-Crossover in a Pseudo-tetrahedral Bis(formazanate) Iron Complex.","Journal of the American Chemical Society","2016","138","17","5503","5506","10.1021/jacs.6b01552","","","0.71073","MoKα","","0.1372","0.0561","","","0.1062","0.1443","","","","","","1.023","","","","has coordinates","240754","2020-10-21","18:00:00",""
"4130253","12.1244","0.0007","14.1187","0.0008","18.1921","0.001","90","","93.083","0.002","90","","3109.6","0.3","100","2","100","2","","","","","","","","4","P 1 2/n 1","-P 2yac","13","","","","- C28 H35 Fe0.5 N4.5 -","- C28 H35 Fe0.5 N4.5 -","- C112 H140 Fe2 N18 -","4","1","","Travieso-Puente, Raquel; Broekman, J. O. P.; Chang, Mu-Chieh; Demeshko, Serhiy; Meyer, Franc; Otten, Edwin","Spin-Crossover in a Pseudo-tetrahedral Bis(formazanate) Iron Complex.","Journal of the American Chemical Society","2016","138","17","5503","5506","10.1021/jacs.6b01552","","","0.71073","MoKα","","0.077","0.0625","","","0.1405","0.1496","","","","","","1.132","","","","has coordinates","240755","2020-10-21","18:00:00",""
"4130254","8.5794","0.0003","11.7518","0.0004","33.5114","0.0012","90","","95.9494","0.001","90","","3360.5","0.2","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C40 H34 Fe N8 -","- C40 H34 Fe N8 -","- C160 H136 Fe4 N32 -","4","1","","Travieso-Puente, Raquel; Broekman, J. O. P.; Chang, Mu-Chieh; Demeshko, Serhiy; Meyer, Franc; Otten, Edwin","Spin-Crossover in a Pseudo-tetrahedral Bis(formazanate) Iron Complex.","Journal of the American Chemical Society","2016","138","17","5503","5506","10.1021/jacs.6b01552","","","0.71073","MoKα","","0.0576","0.0442","","","0.0929","0.0979","","","","","","1.105","","","","has coordinates","240756","2020-10-21","18:00:00",""
"4130255","9.271","0.003","8.423","0.003","9.739","0.003","90","","114.214","0.005","90","","693.6","0.4","93","2","93","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C13 H17 N O4 S -","- C13 H17 N O4 S -","- C26 H34 N2 O8 S2 -","2","1","","Hatano, Miyuki; Ebe, Yusuke; Nishimura, Takahiro; Yorimitsu, Hideki","Asymmetric Alkylation of N-Sulfonylbenzamides with Vinyl Ethers via C-H Bond Activation Catalyzed by Hydroxoiridium/Chiral Diene Complexes.","Journal of the American Chemical Society","2016","138","12","4010","4013","10.1021/jacs.6b01591","","","1.54187","CuKα","","0.0387","0.0371","","","0.0895","0.0901","","","","","","1.014","","","","has coordinates","240757","2020-10-21","18:00:00",""
"4130256","8.665","0.002","18.938","0.004","21.097","0.005","90","","90","","90","","3462","1.4","93","2","93","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C34 H38 N2 O8 S2 -","- C34 H38 N2 O8 S2 -","- C136 H152 N8 O32 S8 -","4","1","","Hatano, Miyuki; Ebe, Yusuke; Nishimura, Takahiro; Yorimitsu, Hideki","Asymmetric Alkylation of N-Sulfonylbenzamides with Vinyl Ethers via C-H Bond Activation Catalyzed by Hydroxoiridium/Chiral Diene Complexes.","Journal of the American Chemical Society","2016","138","12","4010","4013","10.1021/jacs.6b01591","","","1.54187","CuKα","","0.0416","0.0355","","","0.0857","0.0872","","","","","","1.022","","","","has coordinates","240758","2020-10-21","18:00:00",""
"4130257","9.121","0.0014","10.639","0.0016","11.3056","0.0018","67.036","0.004","73.952","0.004","85.831","0.004","970","0.3","100","2","100","2","","","","","","","","6","P 1","P 1","1","","","","- C31 H46 B F8 N5 Ru -","- C31 H46 B F8 N5 Ru -","- C31 H46 B F8 N5 Ru -","1","1","","Simonetti, Marco; Perry, Gregory J. P.; Cambeiro, Xacobe C.; Juliá-Hernández, Francisco; Arokianathar, Jude N.; Larrosa, Igor","Ru-Catalyzed C-H Arylation of Fluoroarenes with Aryl Halides.","Journal of the American Chemical Society","2016","138","10","3596","3606","10.1021/jacs.6b01615","","","0.71073","MoKα","","0.0302","0.0293","","","0.0679","0.0684","","","","","","1.02","","","","has coordinates","240759","2020-10-21","18:00:00",""
"4130258","21.221","0.007","13.81","0.004","9.163","0.003","90","","103.056","0.007","90","","2615.9","1.4","100","2","100","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C32 H58 Cl10 N6 Ru3 -","- C32 H58 Cl10 N6 Ru3 -","- C64 H116 Cl20 N12 Ru6 -","2","0.25","","Simonetti, Marco; Perry, Gregory J. P.; Cambeiro, Xacobe C.; Juliá-Hernández, Francisco; Arokianathar, Jude N.; Larrosa, Igor","Ru-Catalyzed C-H Arylation of Fluoroarenes with Aryl Halides.","Journal of the American Chemical Society","2016","138","10","3596","3606","10.1021/jacs.6b01615","","","0.71073","MoKα","","0.0867","0.0656","","","0.2019","0.2187","","","","","","1.092","","","","has coordinates","240760","2020-10-21","18:00:00",""
"4130259","10.8977","0.0003","34.0657","0.0011","11.0451","0.0004","90","","90","","90","","4100.4","0.2","150.03","0.1","150.03","0.1","","","","","","","","6","P b a n :2","-P 2ab 2b","50","","","","- C30 H54 B2 F8 N6 Ru -","- C30 H54 B2 F8 N6 Ru -","- C120 H216 B8 F32 N24 Ru4 -","4","0.5","","Simonetti, Marco; Perry, Gregory J. P.; Cambeiro, Xacobe C.; Juliá-Hernández, Francisco; Arokianathar, Jude N.; Larrosa, Igor","Ru-Catalyzed C-H Arylation of Fluoroarenes with Aryl Halides.","Journal of the American Chemical Society","2016","138","10","3596","3606","10.1021/jacs.6b01615","","x-ray","0.71073","MoKα","","0.1126","0.0573","","","0.1217","0.1505","","","","","","1.043","","","","has coordinates,has disorder","240761","2020-10-21","18:00:00",""
"4130260","9.9568","0.0011","10.1815","0.0012","13.3346","0.0015","107.735","0.002","99.041","0.002","94.998","0.003","1258.4","0.2","100","2","100","2","","","","","","","","6","P -1","-P 1","2","C22 H25 F4 O2 Cl3","","","- C22 H25 Cl3 F4 O2 Ru -","- C22 H25 Cl3 F4 O2 Ru -","- C44 H50 Cl6 F8 O4 Ru2 -","2","1","","Simonetti, Marco; Perry, Gregory J. P.; Cambeiro, Xacobe C.; Juliá-Hernández, Francisco; Arokianathar, Jude N.; Larrosa, Igor","Ru-Catalyzed C-H Arylation of Fluoroarenes with Aryl Halides.","Journal of the American Chemical Society","2016","138","10","3596","3606","10.1021/jacs.6b01615","","","0.71073","MoKα","","0.0217","0.0195","","","0.0478","0.0489","","","","","","1.045","","","","has coordinates","240762","2020-10-21","18:00:00",""
"4130261","7.8369","0.0018","11.551","0.003","14.045","0.003","109.829","0.003","96.058","0.003","107.644","0.003","1108.6","0.5","120","2","120","2","","","","","","","","5","P 1","P 1","1","","","","- C19 H21 Cl5 Fe O3 -","- C19 H21 Cl5 Fe O3 -","- C38 H42 Cl10 Fe2 O6 -","2","2","","Landry, Matthew L.; Hu, Dennis X.; McKenna, Grace M.; Burns, Noah Z.","Catalytic Enantioselective Dihalogenation and the Selective Synthesis of (-)-Deschloromytilipin A and (-)-Danicalipin A.","Journal of the American Chemical Society","2016","138","15","5150","5158","10.1021/jacs.6b01643","","","0.71073","MoKα","","0.0257","0.0228","","","0.0495","0.0506","","","","","","0.963","","","","has coordinates","240763","2020-10-21","18:00:00",""
"4130262","21.3275","0.001","5.0556","0.0002","18.7396","0.0011","90","","110.71","0.003","90","","1890","0.16","120","2","120","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C15 H16 Br Cl5 O3 -","- C15 H16 Br Cl5 O3 -","- C60 H64 Br4 Cl20 O12 -","4","1","","Landry, Matthew L.; Hu, Dennis X.; McKenna, Grace M.; Burns, Noah Z.","Catalytic Enantioselective Dihalogenation and the Selective Synthesis of (-)-Deschloromytilipin A and (-)-Danicalipin A.","Journal of the American Chemical Society","2016","138","15","5150","5158","10.1021/jacs.6b01643","","","0.71073","MoKα","","0.0237","0.0204","","","0.0446","0.0455","","","","","","1.048","","","","has coordinates","240764","2020-10-21","18:00:00",""
"4130263","7.2028","0.0003","28.4716","0.0011","11.0949","0.0005","90","","90.106","0.002","90","","2275.29","0.16","120","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C19 H21 Br5 Fe O3 -","- C19 H21 Br5 Fe O3 -","- C76 H84 Br20 Fe4 O12 -","4","1","","Landry, Matthew L.; Hu, Dennis X.; McKenna, Grace M.; Burns, Noah Z.","Catalytic Enantioselective Dihalogenation and the Selective Synthesis of (-)-Deschloromytilipin A and (-)-Danicalipin A.","Journal of the American Chemical Society","2016","138","15","5150","5158","10.1021/jacs.6b01643","","","0.71073","MoKα","","0.0397","0.0301","","","0.067","0.0698","","","","","","1.11","","","","has coordinates","240765","2020-10-21","18:00:00",""
"4130264","21.9618","0.0012","5.2143","0.0003","18.6577","0.0011","90","","110.597","0.003","90","","2000","0.2","120","2","120","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C15 H16 Br6 O3 -","- C15 H16 Br6 O3 -","- C60 H64 Br24 O12 -","4","1","","Landry, Matthew L.; Hu, Dennis X.; McKenna, Grace M.; Burns, Noah Z.","Catalytic Enantioselective Dihalogenation and the Selective Synthesis of (-)-Deschloromytilipin A and (-)-Danicalipin A.","Journal of the American Chemical Society","2016","138","15","5150","5158","10.1021/jacs.6b01643","","","0.71073","MoKα","","0.0227","0.0197","","","0.0399","0.0407","","","","","","0.999","","","","has coordinates","240766","2020-10-21","18:00:00",""
"4130265","13.547","0.003","14.829","0.003","15.76","0.003","111.55","0.03","93.03","0.03","98.03","0.03","2897.1","1.3","173.15","","173.15","","","","","","","","","8","P 1","P 1","1","","","","- C127 H112 Au6 B2 F8 N2 O2 P6 -","- C127 H112 Au6 B2 F8 N2 O2 P6 -","- C127 H112 Au6 B2 F8 N2 O2 P6 -","1","1","","He, Xin; Wang, Yuechao; Jiang, Hong; Zhao, Liang","Structurally Well-Defined Sigmoidal Gold Clusters: Probing the Correlation between Metal Atom Arrangement and Chiroptical Response.","Journal of the American Chemical Society","2016","138","17","5634","5643","10.1021/jacs.6b01658","","","0.71073","MoKα","","0.0436","0.0422","","","0.0925","0.0965","","","","","","1.052","","","","has coordinates,has disorder","240767","2020-10-21","18:00:00",""
"4130266","16.145","0.003","17.072","0.003","41.943","0.008","90","","90","","90","","11561","4","173.15","","173.15","","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C114 H100 Au6 B2 F8 N2 P6 -","- C114 H100 Au6 B2 F8 N2 P6 -","- C456 H400 Au24 B8 F32 N8 P24 -","4","1","","He, Xin; Wang, Yuechao; Jiang, Hong; Zhao, Liang","Structurally Well-Defined Sigmoidal Gold Clusters: Probing the Correlation between Metal Atom Arrangement and Chiroptical Response.","Journal of the American Chemical Society","2016","138","17","5634","5643","10.1021/jacs.6b01658","","","0.71073","MoKα","","0.0915","0.0762","","","0.2","0.2188","","","","","","1.053","","","","has coordinates","240767","2020-10-21","18:00:00",""
"4130267","14.004","0.003","17.94","0.004","24.92","0.005","90","","105.84","0.03","90","","6023","2","173.15","","173.15","","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C124 H102 Au6 B2 F8 N2 P6 -","- C124 H102 Au6 B2 F8 N2 P6 -","- C248 H204 Au12 B4 F16 N4 P12 -","2","1","","He, Xin; Wang, Yuechao; Jiang, Hong; Zhao, Liang","Structurally Well-Defined Sigmoidal Gold Clusters: Probing the Correlation between Metal Atom Arrangement and Chiroptical Response.","Journal of the American Chemical Society","2016","138","17","5634","5643","10.1021/jacs.6b01658","","","0.71073","MoKα","","0.0747","0.071","","","0.1843","0.1907","","","","","","1.091","","","","has coordinates","240767","2020-10-21","18:00:00",""
"4130268","22.493","0.005","12.072","0.002","22.686","0.005","90","","103.45","0.03","90","","5991","2","173.15","","173.15","","","","","","","","","8","C 1 c 1","C -2yc","9","","","","- C64 H58 Au3 B F4 N O0.5 P3 -","- C64 H58 Au3 B F4 N O0.5 P3 -","- C256 H232 Au12 B4 F16 N4 O2 P12 -","4","1","","He, Xin; Wang, Yuechao; Jiang, Hong; Zhao, Liang","Structurally Well-Defined Sigmoidal Gold Clusters: Probing the Correlation between Metal Atom Arrangement and Chiroptical Response.","Journal of the American Chemical Society","2016","138","17","5634","5643","10.1021/jacs.6b01658","","","0.71073","MoKα","","0.0517","0.0498","","","0.117","0.1195","","","","","","1.056","","","","has coordinates","240767","2020-10-21","18:00:00",""
"4130269","59.465","0.012","21.294","0.004","47.96","0.01","90","","114.67","0.03","90","","55186","2","173.15","","173.15","","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C118 H96 Ag2 Au6 B4 F16 N8 P6 -","- C118 H96 Ag2 Au6 B4 F16 N8 P6 -","- C1888 H1536 Ag32 Au96 B64 F256 N128 P96 -","16","2","","He, Xin; Wang, Yuechao; Jiang, Hong; Zhao, Liang","Structurally Well-Defined Sigmoidal Gold Clusters: Probing the Correlation between Metal Atom Arrangement and Chiroptical Response.","Journal of the American Chemical Society","2016","138","17","5634","5643","10.1021/jacs.6b01658","","","0.71073","MoKα","","0.102","0.0814","","","0.2119","0.2287","","","","","","1.051","","","","has coordinates,has disorder","240767","2020-10-21","18:00:00",""
"4130270","28.1991","0.0007","28.1991","0.0007","28.1991","0.0007","90","","90","","90","","22423.6","1","100.01","0.1","100.01","0.1","","","","","","","","4","P m -3 m","-P 4 2 3","221","","","","- C40 H28 O16 Zr3 -","- C40 H28 O16 Zr3 -","- C240 H168 O96 Zr18 -","6","0.125","","Wang, Bin; Lv, Xiu-Liang; Feng, Dawei; Xie, Lin-Hua; Zhang, Jian; Li, Ming; Xie, Yabo; Li, Jian-Rong; Zhou, Hong-Cai","Highly Stable Zr(IV)-Based Metal-Organic Frameworks for the Detection and Removal of Antibiotics and Organic Explosives in Water.","Journal of the American Chemical Society","2016","138","19","6204","6216","10.1021/jacs.6b01663","","","1.54184","CuKα","","0.119","0.0958","","","0.2508","0.271","","","","","","1.077","","","","has coordinates,has disorder","240768","2020-10-21","18:00:00",""
"4130271","15.0822","0.0009","6.6857","0.0004","22.5771","0.0013","90","","93.476","0.002","90","","2272.4","0.2","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C25 H26 N2 O5 S -","- C25 H26 N2 O5 S -","- C100 H104 N8 O20 S4 -","4","1","","Ding, Dong; Mou, Tao; Feng, Minghao; Jiang, Xuefeng","Utility of Ligand Effect in Homogenous Gold Catalysis: Enabling Regiodivergent π-Bond-Activated Cyclization.","Journal of the American Chemical Society","2016","138","16","5218","5221","10.1021/jacs.6b01707","","","0.71073","MoKα","","0.0655","0.0422","","","0.1086","0.1256","","","","","","1.023","","","","has coordinates","240769","2020-10-21","18:00:00",""
"4130272","12.9837","0.0006","9.529","0.0004","17.8751","0.0008","90","","108.758","0.002","90","","2094.07","0.16","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H22 N2 O4 S -","- C24 H22 N2 O4 S -","- C96 H88 N8 O16 S4 -","4","1","","Ding, Dong; Mou, Tao; Feng, Minghao; Jiang, Xuefeng","Utility of Ligand Effect in Homogenous Gold Catalysis: Enabling Regiodivergent π-Bond-Activated Cyclization.","Journal of the American Chemical Society","2016","138","16","5218","5221","10.1021/jacs.6b01707","","","0.71073","MoKα","","0.0627","0.0383","","","0.0901","0.1036","","","","","","1.033","","","","has coordinates","240770","2020-10-21","18:00:00",""
"4130273","13.2698","0.0006","7.9678","0.0003","18.6432","0.0008","90","","102.755","0.001","90","","1922.52","0.14","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C23 H21 N O3 S -","- C23 H21 N O3 S -","- C92 H84 N4 O12 S4 -","4","1","","Ding, Dong; Mou, Tao; Feng, Minghao; Jiang, Xuefeng","Utility of Ligand Effect in Homogenous Gold Catalysis: Enabling Regiodivergent π-Bond-Activated Cyclization.","Journal of the American Chemical Society","2016","138","16","5218","5221","10.1021/jacs.6b01707","","","0.71073","MoKα","","0.0778","0.0578","","","0.1694","0.1896","","","","","","1.04","","","","has coordinates","240771","2020-10-21","18:00:00",""
"4130274","18.7913","0.0012","18.7913","0.0012","11.3257","0.0006","90","","90","","120","","3463.5","0.4","296","2","296","2","","","","","","","","5","P 64","P 64","172","","","","- C24 H22 N2 O4 S -","- C24 H22 N2 O4 S -","- C144 H132 N12 O24 S6 -","6","1","","Ding, Dong; Mou, Tao; Feng, Minghao; Jiang, Xuefeng","Utility of Ligand Effect in Homogenous Gold Catalysis: Enabling Regiodivergent π-Bond-Activated Cyclization.","Journal of the American Chemical Society","2016","138","16","5218","5221","10.1021/jacs.6b01707","","","0.71073","MoKα","","0.1426","0.0514","","","0.0774","0.1031","","","","","","1.047","","","","has coordinates","240772","2020-10-21","18:00:00",""
"4130275","12.8","0.0003","4.5826","0.0002","28.8266","0.0011","90","","96.488","0.003","90","","1680.06","0.11","175","","175","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C14 H28 N4 O2 -","- C14 H28 N4 O2 -","- C56 H112 N16 O8 -","4","2","","Licsandru, Erol; Kocsis, Istvan; Shen, Yue-Xiao; Murail, Samuel; Legrand, Yves-Marie; van der Lee, Arie; Tsai, Daniel; Baaden, Marc; Kumar, Manish; Barboiu, Mihail","Salt-Excluding Artificial Water Channels Exhibiting Enhanced Dipolar Water and Proton Translocation.","Journal of the American Chemical Society","2016","138","16","5403","5409","10.1021/jacs.6b01811","","","0.78965","synchrotron","","0.1762","0.154","","0.2064","0.1687","0.1687","","","","","","1.0674","","","","has coordinates","240773","2020-10-21","18:00:00",""
"4130276","30.18","0.002","4.5911","0.0002","23.9057","0.0014","90","","107.482","0.006","90","","3159.4","0.3","175","","175","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H27 N4 O1.5 -","- C14 H27 N4 O1.5 -","- C112 H216 N32 O12 -","8","2","","Licsandru, Erol; Kocsis, Istvan; Shen, Yue-Xiao; Murail, Samuel; Legrand, Yves-Marie; van der Lee, Arie; Tsai, Daniel; Baaden, Marc; Kumar, Manish; Barboiu, Mihail","Salt-Excluding Artificial Water Channels Exhibiting Enhanced Dipolar Water and Proton Translocation.","Journal of the American Chemical Society","2016","138","16","5403","5409","10.1021/jacs.6b01811","","","1.5418","CuKα","","0.125","0.1115","","0.0916","0.0831","0.0831","","","","","","0.9692","","","","has coordinates","254431","2020-10-21","18:00:00",""
"4130277","27.684","0.004","4.5906","0.0004","23.937","0.003","90","","113.395","0.015","90","","2792","0.7","293","","293","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C8.73 H16.73 N2.91 O1.09 -","- C8.72727 H16.7273 N2.90909 O1.09091 -","- C96 H184 N32 O12 -","11","2.75","","Licsandru, Erol; Kocsis, Istvan; Shen, Yue-Xiao; Murail, Samuel; Legrand, Yves-Marie; van der Lee, Arie; Tsai, Daniel; Baaden, Marc; Kumar, Manish; Barboiu, Mihail","Salt-Excluding Artificial Water Channels Exhibiting Enhanced Dipolar Water and Proton Translocation.","Journal of the American Chemical Society","2016","138","16","5403","5409","10.1021/jacs.6b01811","","","1.5418","CuKα","","0.1019","0.0713","","0.202","0.1849","0.1849","","","","","","0.9258","","","","has coordinates","240775","2020-10-21","18:00:00",""
"4130278","11.2054","0.0008","5.6226","0.0007","17.6834","0.0014","90","","93.73","0.006","90","","1111.76","0.18","175","","175","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C10 H18 N4 O -","- C10 H18 N4 O -","- C40 H72 N16 O4 -","4","1","","Licsandru, Erol; Kocsis, Istvan; Shen, Yue-Xiao; Murail, Samuel; Legrand, Yves-Marie; van der Lee, Arie; Tsai, Daniel; Baaden, Marc; Kumar, Manish; Barboiu, Mihail","Salt-Excluding Artificial Water Channels Exhibiting Enhanced Dipolar Water and Proton Translocation.","Journal of the American Chemical Society","2016","138","16","5403","5409","10.1021/jacs.6b01811","","","0.71073","MoKα","","0.0889","0.077","","0.0831","0.0786","0.0786","","","","","","0.9704","","","","has coordinates","240776","2020-10-21","18:00:00",""
"4130279","12.766","0.004","4.5679","0.0011","28.756","0.007","90","","96.47","0.02","90","","1666.2","0.8","125","","125","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C14 H28 N4 O2 -","- C13.9983 H28.0034 N4 O2.0034 -","- C55.9932 H112.014 N16 O8.0136 -","4","2","","Licsandru, Erol; Kocsis, Istvan; Shen, Yue-Xiao; Murail, Samuel; Legrand, Yves-Marie; van der Lee, Arie; Tsai, Daniel; Baaden, Marc; Kumar, Manish; Barboiu, Mihail","Salt-Excluding Artificial Water Channels Exhibiting Enhanced Dipolar Water and Proton Translocation.","Journal of the American Chemical Society","2016","138","16","5403","5409","10.1021/jacs.6b01811","","","0.78965","synchrotron","","0.126","0.0922","","0.1509","0.1094","0.1094","","","","","","1.0948","","","","has coordinates,has disorder","240777","2020-10-21","18:00:00",""
"4130280","8.3","0.0005","20.7517","0.0013","15.9111","0.001","90","","107.372","0.002","90","","2615.5","0.3","150","2","150","2","","","","","","","synthesis as described","5","P 1 21/n 1","-P 2yn","14","","","","- C30 H29 F3 N4 O -","- C30 H29 F3 N4 O -","- C120 H116 F12 N16 O4 -","4","1","","Radkov, Vasily; Roisnel, Thierry; Trifonov, Alexander; Carpentier, Jean-François; Kirillov, Evgueni","Tandem C(sp(2))-OMe Activation/C(sp(2))-C(sp(2)) Coupling in Early Transition-Metal Complexes: Aromatic C-O Activation beyond Late Transition Metals.","Journal of the American Chemical Society","2016","138","13","4350","4353","10.1021/jacs.6b01877","","x-ray","0.71073","MoKα","","0.0768","0.0463","","","0.1025","0.1164","","","","","","1.018","","","","has coordinates","240778","2020-10-21","18:00:00",""
"4130281","12.2688","0.0004","14.9603","0.0004","17.3736","0.0005","90.797","0.002","91.86","0.001","96.201","0.001","3168.02","0.16","150","2","150","2","","","","","","","synthesis as described","6","P -1","-P 1","2","","","","- C60 H55 F6 N8 O2 Y -","- C60 H55 F6 N8 O2 Y -","- C120 H110 F12 N16 O4 Y2 -","2","1","","Radkov, Vasily; Roisnel, Thierry; Trifonov, Alexander; Carpentier, Jean-François; Kirillov, Evgueni","Tandem C(sp(2))-OMe Activation/C(sp(2))-C(sp(2)) Coupling in Early Transition-Metal Complexes: Aromatic C-O Activation beyond Late Transition Metals.","Journal of the American Chemical Society","2016","138","13","4350","4353","10.1021/jacs.6b01877","","x-ray","0.71073","MoKα","","0.0867","0.055","","","0.1407","0.1505","","","","","","1.039","","","","has coordinates,has disorder","240778","2020-10-21","18:00:00",""
"4130282","11.8165","0.0018","13.72","0.002","22.645","0.004","73.837","0.006","84.453","0.006","64.67","0.006","3186.1","0.9","150","2","150","2","","","","","","","synthesis as described","6","P -1","-P 1","2","","","","- C75 H70 F6 N8 O2 Sc -","- C75 H70 F6 N8 O2 Sc -","- C150 H140 F12 N16 O4 Sc2 -","2","1","","Radkov, Vasily; Roisnel, Thierry; Trifonov, Alexander; Carpentier, Jean-François; Kirillov, Evgueni","Tandem C(sp(2))-OMe Activation/C(sp(2))-C(sp(2)) Coupling in Early Transition-Metal Complexes: Aromatic C-O Activation beyond Late Transition Metals.","Journal of the American Chemical Society","2016","138","13","4350","4353","10.1021/jacs.6b01877","","x-ray","0.71073","MoKα","","0.1975","0.1009","","","0.2576","0.3056","","","","","","1.036","","","","has coordinates","240778","2020-10-21","18:00:00",""
"4130283","13.0597","0.0005","13.0509","0.0005","33.9213","0.0014","83.98","0.002","82.797","0.002","75.68","0.002","5541.3","0.4","150","2","150","2","","","","","","","synthesis as described","5","P -1","-P 1","2","","","","- C125 H111 F12 N16 Y2 -","- C125 H111 F12 N16 Y2 -","- C250 H222 F24 N32 Y4 -","2","1","","Radkov, Vasily; Roisnel, Thierry; Trifonov, Alexander; Carpentier, Jean-François; Kirillov, Evgueni","Tandem C(sp(2))-OMe Activation/C(sp(2))-C(sp(2)) Coupling in Early Transition-Metal Complexes: Aromatic C-O Activation beyond Late Transition Metals.","Journal of the American Chemical Society","2016","138","13","4350","4353","10.1021/jacs.6b01877","","x-ray","0.71073","MoKα","","0.25","0.088","","","0.1761","0.2455","","","","","","0.944","","","","has coordinates","240778","2020-10-21","18:00:00",""
"4130284","12.0429","0.0007","13.815","0.0007","17.6182","0.001","75.629","0.002","79.249","0.002","88.76","0.002","2788.7","0.3","150","2","150","2","","","","","","","synthesis as described","6","P -1","-P 1","2","","","","- C62 H61 F6 N8 O Sc -","- C62 H61 F6 N8 O Sc -","- C124 H122 F12 N16 O2 Sc2 -","2","1","","Radkov, Vasily; Roisnel, Thierry; Trifonov, Alexander; Carpentier, Jean-François; Kirillov, Evgueni","Tandem C(sp(2))-OMe Activation/C(sp(2))-C(sp(2)) Coupling in Early Transition-Metal Complexes: Aromatic C-O Activation beyond Late Transition Metals.","Journal of the American Chemical Society","2016","138","13","4350","4353","10.1021/jacs.6b01877","","x-ray","0.71073","MoKα","","0.0688","0.0484","","","0.1161","0.1274","","","","","","1.049","","","","has coordinates","240778","2020-10-21","18:00:00",""
"4130285","7.127","0.002","7.465","0.002","11.374","0.004","96.247","0.004","90.085","0.004","100.706","0.004","590.9","0.3","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C29 H18 Cl2 O4 -","- C29 H18 Cl2 O4 -","- C29 H18 Cl2 O4 -","1","0.5","","Suzuki, Mitsuharu; Kotyk, Juliet F Khosrowabadi; Khan, Saeed I.; Rubin, Yves","Directing the Crystallization of Dehydro[24]annulenes into Supramolecular Nanotubular Scaffolds.","Journal of the American Chemical Society","2016","138","18","5939","5956","10.1021/jacs.6b01939","","","0.71073","MoKα","","0.0518","0.0466","","","0.1224","0.1268","","","","","","1.044","","","","has coordinates,has disorder","240779","2020-10-21","18:00:00",""
"4130286","8.6953","0.0014","8.849","0.0014","20.955","0.003","83.764","0.002","81.19","0.002","89.372","0.002","1583.9","0.4","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C36 H36 O6 -","- C36 H36 O6 -","- C72 H72 O12 -","2","1","","Suzuki, Mitsuharu; Kotyk, Juliet F Khosrowabadi; Khan, Saeed I.; Rubin, Yves","Directing the Crystallization of Dehydro[24]annulenes into Supramolecular Nanotubular Scaffolds.","Journal of the American Chemical Society","2016","138","18","5939","5956","10.1021/jacs.6b01939","","","0.71073","MoKα","","0.1194","0.0673","","","0.1776","0.2063","","","","","","1.034","","","","has coordinates,has disorder","240779","2020-10-21","18:00:00",""
"4130287","16.538","0.01","6.995","0.004","22.907","0.014","90","","106.113","0.006","90","","2546","3","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C31 H22 O5 -","- C31 H22 O5 -","- C124 H88 O20 -","4","1","","Suzuki, Mitsuharu; Kotyk, Juliet F Khosrowabadi; Khan, Saeed I.; Rubin, Yves","Directing the Crystallization of Dehydro[24]annulenes into Supramolecular Nanotubular Scaffolds.","Journal of the American Chemical Society","2016","138","18","5939","5956","10.1021/jacs.6b01939","","","0.71073","MoKα","","0.0741","0.0458","","","0.105","0.1172","","","","","","1.028","","","","has coordinates","240779","2020-10-21","18:00:00",""
"4130288","9.613","0.005","13.191","0.007","13.847","0.007","70.53","0.006","89.281","0.006","79.425","0.006","1625.1","1.5","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C76 H72 O17 -","- C76 H72 O17 -","- C76 H72 O17 -","1","0.5","","Suzuki, Mitsuharu; Kotyk, Juliet F Khosrowabadi; Khan, Saeed I.; Rubin, Yves","Directing the Crystallization of Dehydro[24]annulenes into Supramolecular Nanotubular Scaffolds.","Journal of the American Chemical Society","2016","138","18","5939","5956","10.1021/jacs.6b01939","","","0.71073","MoKα","","0.1067","0.0585","","","0.1411","0.1677","","","","","","1.013","","","","has coordinates,has disorder","240779","2020-10-21","18:00:00",""
"4130289","7.8633","0.0011","12.4758","0.0018","14.475","0.002","87.013","0.002","79.31","0.002","78.04","0.002","1364.9","0.3","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C59 H38 Cl6 O12 -","- C59 H38 Cl6 O12 -","- C59 H38 Cl6 O12 -","1","0.5","","Suzuki, Mitsuharu; Kotyk, Juliet F Khosrowabadi; Khan, Saeed I.; Rubin, Yves","Directing the Crystallization of Dehydro[24]annulenes into Supramolecular Nanotubular Scaffolds.","Journal of the American Chemical Society","2016","138","18","5939","5956","10.1021/jacs.6b01939","","","0.71073","MoKα","","0.1065","0.077","","","0.191","0.2109","","","","","","1.114","","","","has coordinates,has disorder","240779","2020-10-21","18:00:00",""
"4130290","8.0494","0.0017","12.367","0.003","14.371","0.003","87.308","0.002","76.651","0.002","77.2","0.003","1357.3","0.5","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C65 H50 O19 -","- C65 H50 O19 -","- C65 H50 O19 -","1","0.5","","Suzuki, Mitsuharu; Kotyk, Juliet F Khosrowabadi; Khan, Saeed I.; Rubin, Yves","Directing the Crystallization of Dehydro[24]annulenes into Supramolecular Nanotubular Scaffolds.","Journal of the American Chemical Society","2016","138","18","5939","5956","10.1021/jacs.6b01939","","","0.71073","MoKα","","0.0914","0.0662","","","0.1765","0.1938","","","","","","1.086","","","","has coordinates,has disorder","240779","2020-10-21","18:00:00",""
"4130291","9.2751","0.0014","11.8804","0.0018","13.115","0.002","103.213","0.002","104.214","0.002","112.564","0.002","1206.7","0.3","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C56 H28 I4 O8 -","- C56 H28 I4 O8 -","- C56 H28 I4 O8 -","1","0.5","","Suzuki, Mitsuharu; Kotyk, Juliet F Khosrowabadi; Khan, Saeed I.; Rubin, Yves","Directing the Crystallization of Dehydro[24]annulenes into Supramolecular Nanotubular Scaffolds.","Journal of the American Chemical Society","2016","138","18","5939","5956","10.1021/jacs.6b01939","","","0.71073","MoKα","","0.0294","0.0232","","","0.0542","0.057","","","","","","1.026","","","","has coordinates","240779","2020-10-21","18:00:00",""
"4130292","38.92","0.02","4.918","0.003","38.53","0.02","90","","101.655","0.012","90","","7223","7","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C70 H46 N4 O14 -","- C70 H46 N4 O14 -","- C280 H184 N16 O56 -","4","0.5","","Suzuki, Mitsuharu; Kotyk, Juliet F Khosrowabadi; Khan, Saeed I.; Rubin, Yves","Directing the Crystallization of Dehydro[24]annulenes into Supramolecular Nanotubular Scaffolds.","Journal of the American Chemical Society","2016","138","18","5939","5956","10.1021/jacs.6b01939","","","0.71073","MoKα","","0.1166","0.0729","","","0.1852","0.2056","","","","","","0.962","","","","has coordinates","240779","2020-10-21","18:00:00",""
"4130293","8.896","0.003","9.089","0.003","10.731","0.004","88.821","0.004","89.682","0.005","85.649","0.004","865","0.5","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C42 H30 N4 O6 -","- C42 H30 N4 O6 -","- C42 H30 N4 O6 -","1","0.5","","Suzuki, Mitsuharu; Kotyk, Juliet F Khosrowabadi; Khan, Saeed I.; Rubin, Yves","Directing the Crystallization of Dehydro[24]annulenes into Supramolecular Nanotubular Scaffolds.","Journal of the American Chemical Society","2016","138","18","5939","5956","10.1021/jacs.6b01939","","","0.71073","MoKα","","0.0432","0.0381","","","0.0982","0.1019","","","","","","1.018","","","","has coordinates","240779","2020-10-21","18:00:00",""
"4130294","21.686","0.009","4.784","0.002","27.556","0.013","90","","102.913","0.01","90","","2787","2","100","2","100","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C60 H44 N4 O8 -","- C60 H44 N4 O8 -","- C120 H88 N8 O16 -","2","0.5","","Suzuki, Mitsuharu; Kotyk, Juliet F Khosrowabadi; Khan, Saeed I.; Rubin, Yves","Directing the Crystallization of Dehydro[24]annulenes into Supramolecular Nanotubular Scaffolds.","Journal of the American Chemical Society","2016","138","18","5939","5956","10.1021/jacs.6b01939","","","0.71073","MoKα","","0.0994","0.0754","","","0.1932","0.2067","","","","","","1.04","","","","has coordinates,has disorder","240779","2020-10-21","18:00:00",""
"4130295","9.9571","0.001","17.4414","0.0019","42.952","0.005","90","","90","","90","","7459.3","1.4","100","2","100","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C68 H60 N4 O10 -","- C68 H60 N4 O10 -","- C272 H240 N16 O40 -","4","1","","Suzuki, Mitsuharu; Kotyk, Juliet F Khosrowabadi; Khan, Saeed I.; Rubin, Yves","Directing the Crystallization of Dehydro[24]annulenes into Supramolecular Nanotubular Scaffolds.","Journal of the American Chemical Society","2016","138","18","5939","5956","10.1021/jacs.6b01939","","","0.71073","MoKα","","0.0935","0.0718","","","0.2008","0.2147","","","","","","1.037","","","","has coordinates,has disorder","240779","2020-10-21","18:00:00",""
"4130296","10.0954","0.0013","16.195","0.002","16.93","0.002","105.474","0.002","95.831","0.002","91.576","0.002","2649.5","0.6","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C56 H68 N4 O8 -","- C56 H68 N4 O8 -","- C112 H136 N8 O16 -","2","1","","Suzuki, Mitsuharu; Kotyk, Juliet F Khosrowabadi; Khan, Saeed I.; Rubin, Yves","Directing the Crystallization of Dehydro[24]annulenes into Supramolecular Nanotubular Scaffolds.","Journal of the American Chemical Society","2016","138","18","5939","5956","10.1021/jacs.6b01939","","","0.71073","MoKα","","0.1279","0.0764","","","0.1951","0.2157","","","","","","1.094","","","","has coordinates,has disorder","240779","2020-10-21","18:00:00",""
"4130297","25.112","0.007","25.112","0.007","8.489","0.003","90","","90","","90","","5353","3","100","2","100","2","","","","","","","","4","I -4","I -4","82","","","","- C56 H36 N4 O8 -","- C56 H36 N4 O8 -","- C224 H144 N16 O32 -","4","0.5","","Suzuki, Mitsuharu; Kotyk, Juliet F Khosrowabadi; Khan, Saeed I.; Rubin, Yves","Directing the Crystallization of Dehydro[24]annulenes into Supramolecular Nanotubular Scaffolds.","Journal of the American Chemical Society","2016","138","18","5939","5956","10.1021/jacs.6b01939","","","0.71073","MoKα","","0.1078","0.0637","","","0.1556","0.1738","","","","","","1.073","","","","has coordinates,has disorder","240779","2020-10-21","18:00:00",""
"4130298","10.2111","0.0008","10.4183","0.0008","16.01","0.0012","78.912","0.001","83.712","0.001","72.751","0.001","1593.7","0.2","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C72 H68 N4 O16 -","- C72 H68 N4 O16 -","- C72 H68 N4 O16 -","1","0.5","","Suzuki, Mitsuharu; Kotyk, Juliet F Khosrowabadi; Khan, Saeed I.; Rubin, Yves","Directing the Crystallization of Dehydro[24]annulenes into Supramolecular Nanotubular Scaffolds.","Journal of the American Chemical Society","2016","138","18","5939","5956","10.1021/jacs.6b01939","","","0.71073","MoKα","","0.0499","0.0395","","","0.099","0.1058","","","","","","1.027","","","","has coordinates","240779","2020-10-21","18:00:00",""
"4130299","12.1652","0.0003","12.9516","0.0003","15.5693","0.0003","73.1952","0.0012","74.4114","0.0014","77.2486","0.0012","2234.56","0.09","93","","93","","","","","","","","","6","P -1","-P 1","2","","[Cu(PPh2Pr)2dmp]2(PF6)2","","- C96 H96 Cu2 F12 N8 P6 -","- C96 H96 Cu2 F12 N8 P6 -","- C96 H96 Cu2 F12 N8 P6 -","1","0.5","","Takeda, Hiroyuki; Ohashi, Kenji; Sekine, Akiko; Ishitani, Osamu","Photocatalytic CO2 Reduction Using Cu(I) Photosensitizers with a Fe(II) Catalyst.","Journal of the American Chemical Society","2016","138","13","4354","4357","10.1021/jacs.6b01970","","","1.54184","CuKα","","0.0952","0.0685","","","0.1533","0.1661","","","","","","1.002","","","","has coordinates,has disorder","240781","2020-10-21","18:00:00",""
"4130300","9.6839","0.00018","15.3663","0.0003","27.7105","0.0005","90","","96.276","0.0007","90","","4098.77","0.13","93","","93","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","[Cu(dmp)(PPh2Pr)2(PF6)]","","- C44 H46 Cu F6 N2 P3 -","- C44 H46 Cu F6 N2 P3 -","- C176 H184 Cu4 F24 N8 P12 -","4","1","","Takeda, Hiroyuki; Ohashi, Kenji; Sekine, Akiko; Ishitani, Osamu","Photocatalytic CO2 Reduction Using Cu(I) Photosensitizers with a Fe(II) Catalyst.","Journal of the American Chemical Society","2016","138","13","4354","4357","10.1021/jacs.6b01970","","","1.54184","CuKα","","0.033","0.0311","","","0.0811","0.0825","","","","","","1.083","","","","has coordinates","240781","2020-10-21","18:00:00",""
"4130301","22.9556","0.0013","22.9556","0.0013","15.883","0.002","90","","90","","120","","7248.4","1.1","296","2","296","2","","","","","","","","4","R -3 c :H","-R 3 2""c","167","","","","- C24 H6 O18 Zn6 -","- C24 H6 O18 Zn6 -","- C144 H36 O108 Zn36 -","6","0.166667","","Luo, Feng; Yan, Changsheng; Dang, Lilong; Krishna, Rajamani; Zhou, Wei; Wu, Hui; Dong, Xinglong; Han, Yu; Hu, Tong-Liang; O'Keeffe, Michael; Wang, Lingling; Luo, Mingbiao; Lin, Rui-Biao; Chen, Banglin","UTSA-74: A MOF-74 Isomer with Two Accessible Binding Sites per Metal Center for Highly Selective Gas Separation.","Journal of the American Chemical Society","2016","138","17","5678","5684","10.1021/jacs.6b02030","","","0.71073","MoKα","","0.144","0.1221","","","0.2445","0.2588","","","","","","0.915","","","","has coordinates","240782","2020-10-21","18:00:00",""
"4130302","22.9511","0.0008","22.9511","0.0008","15.8965","0.0011","90","","90","","120","","7251.7","0.6","120","2","120","2","","","","","","","","4","R -3 c :H","-R 3 2""c","167","","","","- C27 H6 O24 Zn6 -","- C27 H6 O24 Zn6 -","- C162 H36 O144 Zn36 -","6","0.166667","","Luo, Feng; Yan, Changsheng; Dang, Lilong; Krishna, Rajamani; Zhou, Wei; Wu, Hui; Dong, Xinglong; Han, Yu; Hu, Tong-Liang; O'Keeffe, Michael; Wang, Lingling; Luo, Mingbiao; Lin, Rui-Biao; Chen, Banglin","UTSA-74: A MOF-74 Isomer with Two Accessible Binding Sites per Metal Center for Highly Selective Gas Separation.","Journal of the American Chemical Society","2016","138","17","5678","5684","10.1021/jacs.6b02030","","","0.71073","MoKα","","0.1812","0.1631","","","0.3024","0.3099","","","","","","1.282","","","","has coordinates","240783","2020-10-21","18:00:00",""
"4130303","22.917","0.0004","22.917","0.0004","15.9024","0.0005","90","","90","","120","","7232.8","0.3","296","2","296","2","","","","","","","","4","R -3 c :H","-R 3 2""c","167","","","","- C12 H3 O10.5 Zn3 -","- C12 H3 O10.5 Zn3 -","- C144 H36 O126 Zn36 -","12","0.333333","","Luo, Feng; Yan, Changsheng; Dang, Lilong; Krishna, Rajamani; Zhou, Wei; Wu, Hui; Dong, Xinglong; Han, Yu; Hu, Tong-Liang; O'Keeffe, Michael; Wang, Lingling; Luo, Mingbiao; Lin, Rui-Biao; Chen, Banglin","UTSA-74: A MOF-74 Isomer with Two Accessible Binding Sites per Metal Center for Highly Selective Gas Separation.","Journal of the American Chemical Society","2016","138","17","5678","5684","10.1021/jacs.6b02030","","","0.71073","MoKα","","0.0795","0.0772","","","0.1717","0.1727","","","","","","1.215","","","","has coordinates","240784","2020-10-21","18:00:00",""
"4130304","6.2267","0.0004","6.7164","0.0005","13.4269","0.0009","77.552","0.003","80.072","0.003","68.189","0.002","506.43","0.06","100","","100","","","","","","","","","3","P 1","P 1","1","","","","- C23 H38 O3 -","- C23 H38 O3 -","- C23 H38 O3 -","1","1","","Obradors, Carla; Martinez, Ruben M.; Shenvi, Ryan A.","Ph(i-PrO)SiH2: An Exceptional Reductant for Metal-Catalyzed Hydrogen Atom Transfers.","Journal of the American Chemical Society","2016","138","14","4962","4971","10.1021/jacs.6b02032","","x-ray","1.54178","CuKα","","0.0309","0.0309","","","0.0841","0.0842","","","","","","1.06","","","","has coordinates","240785","2020-10-21","18:00:00",""
"4130305","6.7858","0.0009","7.7709","0.001","8.1797","0.001","112.386","0.006","91.911","0.006","96.499","0.009","394.89","0.09","100","","100","","","","","","","","","4","P 1","P 1","1","","","","- C19 H21 N O3 -","- C19 H21 N O3 -","- C19 H21 N O3 -","1","1","","Hayashi, Masaki; Bachman, Shoshana; Hashimoto, Satoshi; Eichman, Chad C.; Stoltz, Brian M.","Ni-Catalyzed Enantioselective C-Acylation of α-Substituted Lactams.","Journal of the American Chemical Society","2016","138","29","8997","9000","10.1021/jacs.6b02120","","","1.54178","CuKα","","0.0296","0.0285","","","0.0697","0.0703","","","","","","1.092","","","","has coordinates","240786","2020-10-21","18:00:00",""
"4130306","14.397","0.004","14.582","0.004","14.95","0.004","77.601","0.009","71.245","0.009","79.726","0.009","2882.2","1.4","113","","113","","","","","","","","","6","P -1","-P 1","2","","","","- C67 H72 Cl2 N4 O4 Zn -","- C67 H72 Cl2 N4 O4 Zn -","- C134 H144 Cl4 N8 O8 Zn2 -","2","1","","Sakamoto, Ryota; Iwashima, Toshiki; Kögel, Julius F; Kusaka, Shinpei; Tsuchiya, Mizuho; Kitagawa, Yasutaka; Nishihara, Hiroshi","Dissymmetric Bis(dipyrrinato)zinc(II) Complexes: Rich Variety and Bright Red to Near-Infrared Luminescence with a Large Pseudo-Stokes Shift.","Journal of the American Chemical Society","2016","138","17","5666","5677","10.1021/jacs.6b02128","","","0.7107","MoKα","","","0.0615","","","","0.1649","","","","","","1.068","","","","has coordinates","240787","2020-10-21","18:00:00",""
"4130307","11.873","0.005","13.492","0.005","18.85","0.007","94.685","0.006","105.074","0.004","96.671","0.004","2876.2","1.9","273","","273","","","","","","","","","5","P -1","-P 1","2","","","","- C73 H70 N4 O Zn -","- C73 H66 N4 O Zn -","- C146 H132 N8 O2 Zn2 -","2","1","","Sakamoto, Ryota; Iwashima, Toshiki; Kögel, Julius F; Kusaka, Shinpei; Tsuchiya, Mizuho; Kitagawa, Yasutaka; Nishihara, Hiroshi","Dissymmetric Bis(dipyrrinato)zinc(II) Complexes: Rich Variety and Bright Red to Near-Infrared Luminescence with a Large Pseudo-Stokes Shift.","Journal of the American Chemical Society","2016","138","17","5666","5677","10.1021/jacs.6b02128","","","0.71075","MoKα","","","0.0697","","","","0.203","","","","","","1.071","","","","has coordinates","240788","2020-10-21","18:00:00",""
"4130308","7.7585","0.0006","9.1039","0.0007","26.2256","0.0017","90","","90","","90","","1852.4","0.2","100","","100","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C21 H26 O4 -","- C21 H26 O4 -","- C84 H104 O16 -","4","1","","Liu, Wen-Bo; Okamoto, Noriko; Alexy, Eric J.; Hong, Allen Y.; Tran, Kristy; Stoltz, Brian M.","Enantioselective γ-Alkylation of α,β-Unsaturated Malonates and Ketoesters by a Sequential Ir-Catalyzed Asymmetric Allylic Alkylation/Cope Rearrangement.","Journal of the American Chemical Society","2016","138","16","5234","5237","10.1021/jacs.6b02153","","","1.54178","CuKα","","0.0418","0.0402","","","0.1023","0.1032","","","","","","1.078","","","","has coordinates","240789","2020-10-21","18:00:00",""
"4130309","6.1787","0.0008","9.0018","0.0011","29.47","0.003","90","","90","","90","","1639.1","0.3","100","","100","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C19 H26 O2 -","- C19 H26 O2 -","- C76 H104 O8 -","4","1","","Liu, Wen-Bo; Okamoto, Noriko; Alexy, Eric J.; Hong, Allen Y.; Tran, Kristy; Stoltz, Brian M.","Enantioselective γ-Alkylation of α,β-Unsaturated Malonates and Ketoesters by a Sequential Ir-Catalyzed Asymmetric Allylic Alkylation/Cope Rearrangement.","Journal of the American Chemical Society","2016","138","16","5234","5237","10.1021/jacs.6b02153","","","1.54178","CuKα","","0.0276","0.0269","","","0.0674","0.068","","","","","","1.065","","","","has coordinates,has disorder","240790","2020-10-21","18:00:00",""
"4130310","11.605","0.014","16.245","0.018","20.204","0.019","90","","97.184","0.007","90","","3779","7","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C26 H27 Cl2 Fe N25 O8 -","- C26 H27 Cl2 Fe N25 O8 -","- C104 H108 Cl8 Fe4 N100 O32 -","4","1","","Myers, Thomas W.; Bjorgaard, Josiah A.; Brown, Kathryn E.; Chavez, David E.; Hanson, Susan K.; Scharff, R. Jason; Tretiak, Sergei; Veauthier, Jacqueline M.","Energetic Chromophores: Low-Energy Laser Initiation in Explosive Fe(II) Tetrazine Complexes.","Journal of the American Chemical Society","2016","138","13","4685","4692","10.1021/jacs.6b02155","","","0.71073","MoKα","","0.0767","0.046","","","0.0993","0.1133","","","","","","1.024","","","","has coordinates,has disorder","240791","2020-10-21","18:00:00",""
"4130311","21.211","0.004","8.6644","0.0016","21.347","0.004","90","","115.966","0.002","90","","3527.1","1.1","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C21 H24 Cl2 Fe N24 O8 -","- C21 H24 Cl2 Fe N24 O8 -","- C84 H96 Cl8 Fe4 N96 O32 -","4","1","","Myers, Thomas W.; Bjorgaard, Josiah A.; Brown, Kathryn E.; Chavez, David E.; Hanson, Susan K.; Scharff, R. Jason; Tretiak, Sergei; Veauthier, Jacqueline M.","Energetic Chromophores: Low-Energy Laser Initiation in Explosive Fe(II) Tetrazine Complexes.","Journal of the American Chemical Society","2016","138","13","4685","4692","10.1021/jacs.6b02155","","","0.71073","MoKα","","0.0632","0.0515","","","0.1324","0.139","","","","","","1.116","","","","has coordinates,has disorder","240791","2020-10-21","18:00:00",""
"4130312","19.1","0.05","13.96","0.04","16.03","0.06","90","","109.165","0.006","90","","4037","2","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C27 H38 Cl2 Fe N24 O9 -","- C27 H38 Cl2 Fe N24 O9 -","- C108 H152 Cl8 Fe4 N96 O36 -","4","1","","Myers, Thomas W.; Bjorgaard, Josiah A.; Brown, Kathryn E.; Chavez, David E.; Hanson, Susan K.; Scharff, R. Jason; Tretiak, Sergei; Veauthier, Jacqueline M.","Energetic Chromophores: Low-Energy Laser Initiation in Explosive Fe(II) Tetrazine Complexes.","Journal of the American Chemical Society","2016","138","13","4685","4692","10.1021/jacs.6b02155","","","0.71073","MoKα","","0.0656","0.0438","","","0.1017","0.1124","","","","","","1.05","","","","has coordinates","240791","2020-10-21","18:00:00",""
"4130313","12.941","0.01","15.79","0.012","16.28","0.013","115.955","0.007","100.085","0.007","94.838","0.007","2896","4","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C39 H62 Cl2 Fe N32 O13 -","- C39 H62 Cl2 Fe N32 O13 -","- C78 H124 Cl4 Fe2 N64 O26 -","2","1","","Myers, Thomas W.; Bjorgaard, Josiah A.; Brown, Kathryn E.; Chavez, David E.; Hanson, Susan K.; Scharff, R. Jason; Tretiak, Sergei; Veauthier, Jacqueline M.","Energetic Chromophores: Low-Energy Laser Initiation in Explosive Fe(II) Tetrazine Complexes.","Journal of the American Chemical Society","2016","138","13","4685","4692","10.1021/jacs.6b02155","","","0.71073","MoKα","","0.2025","0.0835","","","0.2004","0.2664","","","","","","0.99","","","","has coordinates","240791","2020-10-21","18:00:00",""
"4130314","5.4814","0.0012","8.5363","0.0017","10.1397","0.0017","71.243","0.016","75.321","0.016","76.523","0.018","428.59","0.15","180.1","0.2","180.1","0.2","","","","","","","","4","P 1","P 1","1","","","","- C10 H8 F2 O2 -","- C10 H8 F2 O2 -","- C20 H16 F4 O4 -","2","2","","Borrajo-Calleja, Gustavo M; Bizet, Vincent; Mazet, Clément","Palladium-Catalyzed Enantioselective Intermolecular Carboetherification of Dihydrofurans.","Journal of the American Chemical Society","2016","138","12","4014","4017","10.1021/jacs.6b02158","","x-ray","1.5418","CuKα","","0.044","0.0432","","","0.1188","0.1205","","","","","","1.074","","","","has coordinates","240792","2020-10-21","18:00:00",""
"4130315","4.7621","0.0002","8.4156","0.0004","22.4052","0.0012","90","","90","","90","","897.91","0.07","181","2","181","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C11 H12 O2 -","- C11 H12 O2 -","- C44 H48 O8 -","4","1","","Borrajo-Calleja, Gustavo M; Bizet, Vincent; Mazet, Clément","Palladium-Catalyzed Enantioselective Intermolecular Carboetherification of Dihydrofurans.","Journal of the American Chemical Society","2016","138","12","4014","4017","10.1021/jacs.6b02158","","x-ray","1.5418","CuKα","","0.0454","0.0425","","","0.1172","0.12","","","","","","1.069","","","","has coordinates","240793","2020-10-21","18:00:00",""
"4130316","7.43203","0.00005","8.92309","0.00005","21.25373","0.00013","90","","90","","90","","1409.48","0.015","180","0.14","180","0.14","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C18 H18 O2 -","- C18 H18 O2 -","- C72 H72 O8 -","4","1","","Borrajo-Calleja, Gustavo M; Bizet, Vincent; Mazet, Clément","Palladium-Catalyzed Enantioselective Intermolecular Carboetherification of Dihydrofurans.","Journal of the American Chemical Society","2016","138","12","4014","4017","10.1021/jacs.6b02158","","x-ray","1.54184","CuKα","","0.0263","0.0254","","","0.0639","0.0646","","","","","","1.079","","","","has coordinates","240794","2020-10-21","18:00:00",""
"4130317","16.348","0.009","16.348","0.009","14.922","0.012","90","","90","","120","","3454","4","120","2","120","2","","","","","","","","6","P 63/m","-P 6c","176","","","","- C54 H72 Co3 O30 P6 S3 -","- C48 H54 Co3 O28.119 P6 S1.506 -","- C96 H108 Co6 O56.238 P12 S3.012 -","2","0.166667","","Pili, Simona; Argent, Stephen P.; Morris, Christopher G.; Rought, Peter; García-Sakai, Victoria; Silverwood, Ian P.; Easun, Timothy L.; Li, Ming; Warren, Mark R.; Murray, Claire A.; Tang, Chiu C.; Yang, Sihai; Schröder, Martin","Proton Conduction in a Phosphonate-Based Metal-Organic Framework Mediated by Intrinsic ""Free Diffusion inside a Sphere"".","Journal of the American Chemical Society","2016","138","20","6352","6355","10.1021/jacs.6b02194","","x-ray","0.6889","","","0.1141","0.0864","","","0.2494","0.2803","","","","","","1.086","","","","has coordinates,has disorder","240795","2020-10-21","18:00:00",""
"4130318","16.323","0.006","16.323","0.006","14.933","0.008","90","","90","","120","","3446","3","120","2","120","2","","","","","","","","7","P 63/m","-P 6c","176","","","","- C54 H72 N0 Ni3 O30 P6 S3 -","- C49.902 H35.706 Ni3 O29.856 P6 S1.263 -","- C99.804 H71.412 Ni6 O59.712 P12 S2.526 -","2","0.166667","","Pili, Simona; Argent, Stephen P.; Morris, Christopher G.; Rought, Peter; García-Sakai, Victoria; Silverwood, Ian P.; Easun, Timothy L.; Li, Ming; Warren, Mark R.; Murray, Claire A.; Tang, Chiu C.; Yang, Sihai; Schröder, Martin","Proton Conduction in a Phosphonate-Based Metal-Organic Framework Mediated by Intrinsic ""Free Diffusion inside a Sphere"".","Journal of the American Chemical Society","2016","138","20","6352","6355","10.1021/jacs.6b02194","","x-ray","0.6889","","","0.1068","0.0839","","","0.2414","0.2629","","","","","","0.967","","","","has coordinates,has disorder","240796","2020-10-21","18:00:00",""
"4130319","15.8435","0.0007","19.3722","0.0009","20.9937","0.001","94.124","0.003","90.49","0.003","105.769","0.003","6182.3","0.5","173","2","173","2","","","","","","","","2","P -1","-P 1","2","","","","- C78.5 H72 -","- C66 H42 -","- C264 H168 -","4","2","","Golder, Matthew R.; Colwell, Curtis E.; Wong, Bryan M.; Zakharov, Lev N.; Zhen, Jingxin; Jasti, Ramesh","Iterative Reductive Aromatization/Ring-Closing Metathesis Strategy toward the Synthesis of Strained Aromatic Belts.","Journal of the American Chemical Society","2016","138","20","6577","6582","10.1021/jacs.6b02240","","","1.54178","CuKα","","0.1678","0.0807","","","0.2119","0.2404","","","","","","1.009","","","","has coordinates,has disorder","240797","2020-10-21","18:00:00",""
"4130320","13.3012","0.0007","9.9339","0.0005","17.0395","0.0006","90","","110.381","0.003","90","","2110.53","0.18","173","2","173","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C60 H48 O2 -","- C60 H36 O2 -","- C120 H72 O4 -","2","0.5","","Golder, Matthew R.; Colwell, Curtis E.; Wong, Bryan M.; Zakharov, Lev N.; Zhen, Jingxin; Jasti, Ramesh","Iterative Reductive Aromatization/Ring-Closing Metathesis Strategy toward the Synthesis of Strained Aromatic Belts.","Journal of the American Chemical Society","2016","138","20","6577","6582","10.1021/jacs.6b02240","","","1.54178","CuKα","","0.133","0.1024","","","0.3416","0.41","","","","","","1.015","","","","has coordinates","240798","2020-10-21","18:00:00",""
"4130321","10.2511","0.0014","12.0614","0.0017","16.84","0.002","90","","90","","90","","2082.1","0.5","130","","130","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C28 H29 Rh -","- C28 H29 Rh -","- C112 H116 Rh4 -","4","1","","Zheng, Jun; Cui, Wen-Jun; Zheng, Chao; You, Shu-Li","Synthesis and Application of Chiral Spiro Cp Ligands in Rhodium-Catalyzed Asymmetric Oxidative Coupling of Biaryl Compounds with Alkenes.","Journal of the American Chemical Society","2016","138","16","5242","5245","10.1021/jacs.6b02302","","","0.71073","MoKα","","0.0666","0.0452","","","0.0877","0.096","","","","","","1.025","","","","has coordinates","240799","2020-10-21","18:00:00",""
"4130322","7.156","0.003","14.439","0.006","23.483","0.009","90","","90","","90","","2426.4","1.7","296","2","296.15","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C30 H33 O2 Rh -","- C30 H33 O2 Rh -","- C120 H132 O8 Rh4 -","4","1","","Zheng, Jun; Cui, Wen-Jun; Zheng, Chao; You, Shu-Li","Synthesis and Application of Chiral Spiro Cp Ligands in Rhodium-Catalyzed Asymmetric Oxidative Coupling of Biaryl Compounds with Alkenes.","Journal of the American Chemical Society","2016","138","16","5242","5245","10.1021/jacs.6b02302","","","0.71073","MoKα","","0.0999","0.0463","","","0.0838","0.0996","","","","","","0.982","","","","has coordinates","240800","2020-10-21","18:00:00",""
"4130323","6.1037","0.001","10.0273","0.0014","14.3207","0.0019","109.973","0.011","91.761","0.012","90.472","0.012","823.2","0.2","173","2","173","2","","","","","","","","3","P -1","-P 1","2","","","","- C40 H50 B2 -","- C40 H50 B2 -","- C40 H50 B2 -","1","0.5","","Kaese, Thomas; Hübner, Alexander; Bolte, Michael; Lerner, Hans-Wolfram; Wagner, Matthias","Forming B-B Bonds by the Controlled Reduction of a Tetraaryl-diborane(6).","Journal of the American Chemical Society","2016","138","19","6224","6233","10.1021/jacs.6b02303","","","0.71073","MoKα","","0.0766","0.0656","","","0.1775","0.1872","","","","","","1.041","","","","has coordinates,has disorder","240801","2020-10-21","18:00:00",""
"4130324","23.6888","0.0017","14.3688","0.0007","29.305","0.002","90","","100.858","0.006","90","","9796.2","1.1","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C55.5 H76 B2 Li2 O3 -","- C55.5 H76 B2 Li2 O3 -","- C444 H608 B16 Li16 O24 -","8","2","","Kaese, Thomas; Hübner, Alexander; Bolte, Michael; Lerner, Hans-Wolfram; Wagner, Matthias","Forming B-B Bonds by the Controlled Reduction of a Tetraaryl-diborane(6).","Journal of the American Chemical Society","2016","138","19","6224","6233","10.1021/jacs.6b02303","","","0.71073","MoKα","","0.215","0.0816","","","0.1486","0.1912","","","","","","0.876","","","","has coordinates,has disorder","265214","2021-05-14","09:19:07",""
"4130325","26.7566","0.001","10.14","0.0003","20.7717","0.0008","90","","90","","90","","5635.6","0.3","173","2","173","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C60 H90 B2 Li2 O5 -","- C60 H90 B2 Li2 O5 -","- C240 H360 B8 Li8 O20 -","4","1","","Kaese, Thomas; Hübner, Alexander; Bolte, Michael; Lerner, Hans-Wolfram; Wagner, Matthias","Forming B-B Bonds by the Controlled Reduction of a Tetraaryl-diborane(6).","Journal of the American Chemical Society","2016","138","19","6224","6233","10.1021/jacs.6b02303","","","0.71073","MoKα","","0.0733","0.058","","","0.1413","0.1494","","","","","","1.021","","","","has coordinates,has disorder","265214","2021-05-14","09:19:08",""
"4130326","28.292","0.003","10.6612","0.0008","30.648","0.003","90","","113.952","0.007","90","","8448.2","1.4","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C92 H124 B4 Li4 O3 -","- C92 H124 B4 Li4 O3 -","- C368 H496 B16 Li16 O12 -","4","0.5","","Kaese, Thomas; Hübner, Alexander; Bolte, Michael; Lerner, Hans-Wolfram; Wagner, Matthias","Forming B-B Bonds by the Controlled Reduction of a Tetraaryl-diborane(6).","Journal of the American Chemical Society","2016","138","19","6224","6233","10.1021/jacs.6b02303","","","0.71073","MoKα","","0.1899","0.0799","","","0.1555","0.183","","","","","","1.152","","","","has coordinates","265214","2021-05-14","09:19:08",""
"4130327","15.5756","0.0007","21.2523","0.001","17.6877","0.0008","90","","112.775","0.004","90","","5398.4","0.5","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C56 H82 B2 K2 O4 -","- C56 H82 B2 K2 O4 -","- C224 H328 B8 K8 O16 -","4","1","","Kaese, Thomas; Hübner, Alexander; Bolte, Michael; Lerner, Hans-Wolfram; Wagner, Matthias","Forming B-B Bonds by the Controlled Reduction of a Tetraaryl-diborane(6).","Journal of the American Chemical Society","2016","138","19","6224","6233","10.1021/jacs.6b02303","","","0.71073","MoKα","","0.0812","0.0505","","","0.1262","0.1398","","","","","","0.966","","","","has coordinates","265214","2021-05-14","09:19:08",""
"4130328","13.6225","0.001","16.3106","0.0008","19.6114","0.0011","90","","90","","90","","4357.5","0.5","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C48 H65 B2 K O2 -","- C48 H65 B2 K O2 -","- C192 H260 B8 K4 O8 -","4","1","","Kaese, Thomas; Hübner, Alexander; Bolte, Michael; Lerner, Hans-Wolfram; Wagner, Matthias","Forming B-B Bonds by the Controlled Reduction of a Tetraaryl-diborane(6).","Journal of the American Chemical Society","2016","138","19","6224","6233","10.1021/jacs.6b02303","","","0.71073","MoKα","","0.078","0.0668","","","0.182","0.1907","","","","","","1.038","","","","has coordinates,has disorder","265214","2021-05-14","09:19:08",""
"4130329","13.834","0.0011","19.2446","0.0012","21.4964","0.0017","90","","103.878","0.006","90","","5555.9","0.7","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C56 H84 B2 K2 O4 -","- C56 H84 B2 K2 O4 -","- C224 H336 B8 K8 O16 -","4","1","","Kaese, Thomas; Hübner, Alexander; Bolte, Michael; Lerner, Hans-Wolfram; Wagner, Matthias","Forming B-B Bonds by the Controlled Reduction of a Tetraaryl-diborane(6).","Journal of the American Chemical Society","2016","138","19","6224","6233","10.1021/jacs.6b02303","","","0.71073","MoKα","","0.0805","0.0543","","","0.1369","0.1483","","","","","","1.009","","","","has coordinates,has disorder","265214","2021-05-14","09:19:08",""
"4130330","21.448","0.002","7.166","0.0007","12.5448","0.0013","90","","98.521","0.002","90","","1906.8","0.3","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C18 H26 B2 F2 O4 -","- C18 H26 B2 F2 O4 -","- C72 H104 B8 F8 O16 -","4","0.5","","Zhou, Jing; Kuntze-Fechner, Maximilian W; Bertermann, Rüdiger; Paul, Ursula S. D.; Berthel, Johannes H. J.; Friedrich, Alexandra; Du, Zhenting; Marder, Todd B.; Radius, Udo","Preparing (Multi)Fluoroarenes as Building Blocks for Synthesis: Nickel-Catalyzed Borylation of Polyfluoroarenes via C-F Bond Cleavage.","Journal of the American Chemical Society","2016","138","16","5250","5253","10.1021/jacs.6b02337","","","0.71073","MoKα","","0.0348","0.0335","","","0.0836","0.0846","","","","","","1.035","","","","has coordinates","240802","2020-10-21","18:00:00",""
"4130331","6.518","0.0006","10.4277","0.0008","14.3711","0.0012","90","","97.307","0.004","90","","968.84","0.14","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H25 B2 F3 O4 -","- C18 H25 B2 F3 O4 -","- C36 H50 B4 F6 O8 -","2","0.5","","Zhou, Jing; Kuntze-Fechner, Maximilian W; Bertermann, Rüdiger; Paul, Ursula S. D.; Berthel, Johannes H. J.; Friedrich, Alexandra; Du, Zhenting; Marder, Todd B.; Radius, Udo","Preparing (Multi)Fluoroarenes as Building Blocks for Synthesis: Nickel-Catalyzed Borylation of Polyfluoroarenes via C-F Bond Cleavage.","Journal of the American Chemical Society","2016","138","16","5250","5253","10.1021/jacs.6b02337","","","0.71073","MoKα","","0.0442","0.0397","","","0.1158","0.1195","","","","","","1.09","","","","has coordinates,has disorder","240802","2020-10-21","18:00:00",""
"4130332","6.848","0.0014","45.132","0.009","9.3766","0.0015","90","","99.586","0.007","90","","2857.5","0.9","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H26 B2 F2 O4 -","- C18 H26 B2 F2 O4 -","- C108 H156 B12 F12 O24 -","6","1.5","","Zhou, Jing; Kuntze-Fechner, Maximilian W; Bertermann, Rüdiger; Paul, Ursula S. D.; Berthel, Johannes H. J.; Friedrich, Alexandra; Du, Zhenting; Marder, Todd B.; Radius, Udo","Preparing (Multi)Fluoroarenes as Building Blocks for Synthesis: Nickel-Catalyzed Borylation of Polyfluoroarenes via C-F Bond Cleavage.","Journal of the American Chemical Society","2016","138","16","5250","5253","10.1021/jacs.6b02337","","","0.71073","MoKα","","0.0773","0.0599","","","0.1224","0.1294","","","","","","1.14","","","","has coordinates,has disorder","240802","2020-10-21","18:00:00",""
"4130333","19.9415","0.0005","18.3839","0.0005","22.7755","0.0006","90","","90","","90","","8349.6","0.4","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C48 H50 F4 N4 Ni -","- C48 H50 F4 N4 Ni -","- C384 H400 F32 N32 Ni8 -","8","1","","Zhou, Jing; Kuntze-Fechner, Maximilian W; Bertermann, Rüdiger; Paul, Ursula S. D.; Berthel, Johannes H. J.; Friedrich, Alexandra; Du, Zhenting; Marder, Todd B.; Radius, Udo","Preparing (Multi)Fluoroarenes as Building Blocks for Synthesis: Nickel-Catalyzed Borylation of Polyfluoroarenes via C-F Bond Cleavage.","Journal of the American Chemical Society","2016","138","16","5250","5253","10.1021/jacs.6b02337","","","0.71073","MoKα","","0.073","0.0454","","","0.1092","0.1246","","","","","","1.028","","","","has coordinates,has disorder","240802","2020-10-21","18:00:00",""
"4130334","10.652","0.005","14.778","0.005","14.855","0.004","92.736","0.019","101.401","0.013","91.53","0.02","2288.1","1.5","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C54 H50 D6 F4 N4 Ni -","- C54 H50 D6 F4 N4 Ni -","- C108 H100 D12 F8 N8 Ni2 -","2","1","","Zhou, Jing; Kuntze-Fechner, Maximilian W; Bertermann, Rüdiger; Paul, Ursula S. D.; Berthel, Johannes H. J.; Friedrich, Alexandra; Du, Zhenting; Marder, Todd B.; Radius, Udo","Preparing (Multi)Fluoroarenes as Building Blocks for Synthesis: Nickel-Catalyzed Borylation of Polyfluoroarenes via C-F Bond Cleavage.","Journal of the American Chemical Society","2016","138","16","5250","5253","10.1021/jacs.6b02337","","","0.71073","MoKα","","0.0309","0.0275","","","0.0684","0.0703","","","","","","1.031","","","","has coordinates,has disorder","240802","2020-10-21","18:00:00",""
"4130335","9.5135","0.0002","13.842","0.0003","20.1911","0.0005","106.146","0.002","93.216","0.002","107.792","0.002","2402.75","0.1","110","2","110","2","","","","","","","","8","P -1","-P 1","2","","","","- C37 H40.11 Cl5 Cu2 F12 N6.89 O2.78 Sb2 -","- C37 H40.114 Cl5 Cu2 F12 N6.886 O2.772 Sb2 -","- C74 H80.228 Cl10 Cu4 F24 N13.772 O5.544 Sb4 -","2","1","","Cao, Rui; Saracini, Claudio; Ginsbach, Jake W.; Kieber-Emmons, Matthew T; Siegler, Maxime A.; Solomon, Edward I.; Fukuzumi, Shunichi; Karlin, Kenneth D.","Peroxo and Superoxo Moieties Bound to Copper Ion: Electron-Transfer Equilibrium with a Small Reorganization Energy.","Journal of the American Chemical Society","2016","138","22","7055","7066","10.1021/jacs.6b02404","","","0.71073","MoKα","","0.0339","0.0264","","","0.0636","0.0665","","","","","","1.048","","","","has coordinates,has disorder","240803","2020-10-21","18:00:00",""
"4130336","13.5404","0.0004","11.2264","0.0004","26.4611","0.0011","90","","90.054","0.003","90","","4022.3","0.3","110","2","110","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C35 H38 Cu2 F12 N6 O2 Sb2 -","- C35 H38 Cu2 F12 N6 O2 Sb2 -","- C140 H152 Cu8 F48 N24 O8 Sb8 -","4","1","","Cao, Rui; Saracini, Claudio; Ginsbach, Jake W.; Kieber-Emmons, Matthew T; Siegler, Maxime A.; Solomon, Edward I.; Fukuzumi, Shunichi; Karlin, Kenneth D.","Peroxo and Superoxo Moieties Bound to Copper Ion: Electron-Transfer Equilibrium with a Small Reorganization Energy.","Journal of the American Chemical Society","2016","138","22","7055","7066","10.1021/jacs.6b02404","","","0.71073","MoKα","","0.041","0.0377","","","0.0892","0.0908","","","","","","1.04","","","","has coordinates","240804","2020-10-21","18:00:00",""
"4130337","10.81274","0.00018","11.4439","0.0002","19.1353","0.0003","78.4517","0.0014","78.6462","0.0014","73.1423","0.0015","2195.71","0.07","110","2","110","2","","","","","","","","7","P -1","-P 1","2","","","","- C38 H44 Cu2 F12 N7 O2 Sb2 -","- C38 H44 Cu2 F12 N7 O2 Sb2 -","- C76 H88 Cu4 F24 N14 O4 Sb4 -","2","1","","Cao, Rui; Saracini, Claudio; Ginsbach, Jake W.; Kieber-Emmons, Matthew T; Siegler, Maxime A.; Solomon, Edward I.; Fukuzumi, Shunichi; Karlin, Kenneth D.","Peroxo and Superoxo Moieties Bound to Copper Ion: Electron-Transfer Equilibrium with a Small Reorganization Energy.","Journal of the American Chemical Society","2016","138","22","7055","7066","10.1021/jacs.6b02404","","","0.71073","MoKα","","0.0351","0.0276","","","0.0658","0.0682","","","","","","1.055","","","","has coordinates,has disorder","240805","2020-10-21","18:00:00",""
"4130338","14.2268","0.0006","14.176","0.0006","14.358","0.0006","90","","118.951","0.002","90","","2533.84","0.19","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C25 H37 Br2 N3 Ni -","- C25 H37 Br2 N3 Ni -","- C100 H148 Br8 N12 Ni4 -","4","1","","Zhou, Wen; Zheng, Shuai; Schultz, Jason W.; Rath, Nigam P.; Mirica, Liviu M.","Aromatic Cyanoalkylation through Double C-H Activation Mediated by Ni(III).","Journal of the American Chemical Society","2016","138","18","5777","5780","10.1021/jacs.6b02405","","","0.71073","MoKα","","0.0557","0.0344","","","0.073","0.083","","","","","","1","","","","has coordinates","240806","2020-10-21","18:00:00",""
"4130339","13.2127","0.001","14.1765","0.0011","16.9635","0.0012","90","","101.342","0.005","90","","3115.4","0.4","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C31 H49 Br2 N3 Ni O2 -","- C31 H49 Br2 N3 Ni O2 -","- C124 H196 Br8 N12 Ni4 O8 -","4","1","","Zhou, Wen; Zheng, Shuai; Schultz, Jason W.; Rath, Nigam P.; Mirica, Liviu M.","Aromatic Cyanoalkylation through Double C-H Activation Mediated by Ni(III).","Journal of the American Chemical Society","2016","138","18","5777","5780","10.1021/jacs.6b02405","","","0.71073","MoKα","","0.0524","0.0344","","","0.0671","0.0745","","","","","","1.082","","","","has coordinates","240806","2020-10-21","18:00:00",""
"4130340","17.2739","0.0009","14.0039","0.0007","13.5299","0.0007","90","","109.966","0.003","90","","3076.2","0.3","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C27 H39 Br F6 N4 Ni P -","- C27 H39 Br F6 N4 Ni P -","- C108 H156 Br4 F24 N16 Ni4 P4 -","4","1","","Zhou, Wen; Zheng, Shuai; Schultz, Jason W.; Rath, Nigam P.; Mirica, Liviu M.","Aromatic Cyanoalkylation through Double C-H Activation Mediated by Ni(III).","Journal of the American Chemical Society","2016","138","18","5777","5780","10.1021/jacs.6b02405","","","0.71073","MoKα","","0.065","0.0439","","","0.0961","0.1045","","","","","","1.027","","","","has coordinates,has disorder","240806","2020-10-21","18:00:00",""
"4130341","14.908","0.0006","14.033","0.0006","19.26","0.0008","90","","102.869","0.0017","90","","3928.1","0.3","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C31 H45 F12 N6 Ni Sb2 -","- C31 H45 F12 N6 Ni Sb2 -","- C124 H180 F48 N24 Ni4 Sb8 -","4","1","","Zhou, Wen; Zheng, Shuai; Schultz, Jason W.; Rath, Nigam P.; Mirica, Liviu M.","Aromatic Cyanoalkylation through Double C-H Activation Mediated by Ni(III).","Journal of the American Chemical Society","2016","138","18","5777","5780","10.1021/jacs.6b02405","","","0.71073","MoKα","","0.0605","0.0375","","","0.0727","0.0815","","","","","","1.012","","","","has coordinates,has disorder","240806","2020-10-21","18:00:00",""
"4130342","15.159","0.003","25.006","0.005","17.605","0.003","90","","109.14","0.011","90","","6305","2","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C60 H101 F4 N6 Ni2 O7 -","- C60 H100.45 F4 N6 Ni2 O7 -","- C240 H401.8 F16 N24 Ni8 O28 -","4","1","","Zhou, Wen; Zheng, Shuai; Schultz, Jason W.; Rath, Nigam P.; Mirica, Liviu M.","Aromatic Cyanoalkylation through Double C-H Activation Mediated by Ni(III).","Journal of the American Chemical Society","2016","138","18","5777","5780","10.1021/jacs.6b02405","","","0.71073","MoKα","","0.115","0.0589","","","0.1474","0.1762","","","","","","1.017","","","","has coordinates,has disorder","240806","2020-10-21","18:00:00",""
"4130343","11.4678","0.0009","16.8911","0.0014","13.8634","0.0011","90","","91.155","0.002","90","","2684.8","0.4","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","SVK1_81","","","- C19 H24 F18 Mo O5 -","- C19 H24 F18 Mo O5 -","- C76 H96 F72 Mo4 O20 -","4","1","","von Kugelgen, Stephen; Bellone, Donatela E.; Cloke, Ryan R.; Perkins, Wade S.; Fischer, Felix R.","Initiator Control of Conjugated Polymer Topology in Ring-Opening Alkyne Metathesis Polymerization.","Journal of the American Chemical Society","2016","138","19","6234","6239","10.1021/jacs.6b02422","","","0.71073","MoKα","","0.0316","0.0262","","","0.0556","0.0601","","","","","","1.179","","","","has coordinates","240807","2020-10-21","18:00:00",""
"4130344","29.007","0.003","35.476","0.004","44.206","0.004","100.828","0.004","96.645","0.005","96.07","0.005","44000","8","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C505 H366 B120 F180 Fe10 N71 O30 -","- C505 H366 B77.9976 F137.998 Fe10 N71 O30 -","- C1010 H732 B155.995 F275.995 Fe20 N142 O60 -","2","1","","Kieffer, Marion; Pilgrim, Ben S.; Ronson, Tanya K.; Roberts, Derrick A.; Aleksanyan, Mina; Nitschke, Jonathan R.","Perfluorinated Ligands Induce Meridional Metal Stereochemistry to Generate M8L12, M10L15, and M12L18 Prisms.","Journal of the American Chemical Society","2016","138","21","6813","6821","10.1021/jacs.6b02445","","","0.6889","synchrotron","","0.2321","0.1794","","","0.44","0.4719","","","","","","1.286","","","","has coordinates,has disorder","240808","2020-10-21","18:00:00",""
"4130345","28.314","0.0013","28.314","0.0013","35.3911","0.0018","90","","90","","90","","28372","2","100","2","100","2","","","","","","","","8","P 4/n n c :2","-P 4a 2bc","126","","","","- C384 H264 Cl2 F132 Fe8 N48 O32 P14 -","- C384 H264 Cl2 F105.6 Fe8 N48 O32 P9.6 -","- C768 H528 Cl4 F211.2 Fe16 N96 O64 P19.2 -","2","0.125","","Kieffer, Marion; Pilgrim, Ben S.; Ronson, Tanya K.; Roberts, Derrick A.; Aleksanyan, Mina; Nitschke, Jonathan R.","Perfluorinated Ligands Induce Meridional Metal Stereochemistry to Generate M8L12, M10L15, and M12L18 Prisms.","Journal of the American Chemical Society","2016","138","21","6813","6821","10.1021/jacs.6b02445","","","0.6889","synchrotron","","0.1389","0.0971","","","0.2693","0.3178","","","","","","1.074","","","","has coordinates,has disorder","240809","2020-10-21","18:00:00",""
"4130346","38.41","0.006","38.41","0.006","38.41","0.006","90","","90","","90","","56667","15","100","2","100","2","","","","","","","","7","P 4 3 2","P 4 2 3","207","","","","- C384 H264 F144 Fe8 N48 O24 P16 -","- C384 H264 F96 Fe8 N48 O24 P8 -","- C1152 H792 F288 Fe24 N144 O72 P24 -","3","0.125","","Kieffer, Marion; Pilgrim, Ben S.; Ronson, Tanya K.; Roberts, Derrick A.; Aleksanyan, Mina; Nitschke, Jonathan R.","Perfluorinated Ligands Induce Meridional Metal Stereochemistry to Generate M8L12, M10L15, and M12L18 Prisms.","Journal of the American Chemical Society","2016","138","21","6813","6821","10.1021/jacs.6b02445","","","0.6889","synchrotron","","0.2193","0.2083","","","0.4624","0.4721","","","","","","1.541","","","","has coordinates,has disorder","240809","2020-10-21","18:00:00",""
"4130347","31.49","0.003","32.933","0.003","41.016","0.004","86.685","0.005","80.468","0.004","65.452","0.004","38154","6","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C509 H321 F213 Fe10 N74 O2 P20 S -","- C509 H315 F199.5 Fe10 N74 O2 P17.75 S -","- C1018 H630 F399 Fe20 N148 O4 P35.5 S2 -","2","1","","Kieffer, Marion; Pilgrim, Ben S.; Ronson, Tanya K.; Roberts, Derrick A.; Aleksanyan, Mina; Nitschke, Jonathan R.","Perfluorinated Ligands Induce Meridional Metal Stereochemistry to Generate M8L12, M10L15, and M12L18 Prisms.","Journal of the American Chemical Society","2016","138","21","6813","6821","10.1021/jacs.6b02445","","","0.6889","synchrotron","","0.2877","0.2118","","","0.502","0.5527","","","","","","1.517","","","","has coordinates,has disorder","240810","2020-10-21","18:00:00",""
"4130348","9.8418","0.0005","11.238","0.0006","12.2846","0.0007","101.925","0.001","109.904","0.001","94.519","0.001","1233.44","0.12","100","2","100","2","","","","","","","","5","P 1","P 1","1","YX-3-217B","hartwig106","","- C21 H30 B Cl3 O4 -","- C21 H30 B Cl3 O4 -","- C42 H60 B2 Cl6 O8 -","2","2","","Xi, Yumeng; Hartwig, John F.","Diverse Asymmetric Hydrofunctionalization of Aliphatic Internal Alkenes through Catalytic Regioselective Hydroboration.","Journal of the American Chemical Society","2016","138","21","6703","6706","10.1021/jacs.6b02478","","","0.71073","MoKα","","0.0406","0.0371","","","0.092","0.0952","","","","","","1.047","","","","has coordinates","240811","2020-10-21","18:00:00",""
"4130349","9.1358","0.0002","9.1358","0.0002","21.2002","0.0006","90","","90","","120","","1532.37","0.06","100","2","99.95","","","","","","","","","6","P 31","P 31","144","","","","- C20 H16 Mn N4 O5 S -","- C20 H16 Mn N4 O5 S -","- C60 H48 Mn3 N12 O15 S3 -","3","1","","Jeon, Ie-Rang; Sun, Lei; Negru, Bogdan; Van Duyne, Richard P.; Dincă, Mircea; Harris, T. David","Solid-State Redox Switching of Magnetic Exchange and Electronic Conductivity in a Benzoquinoid-Bridged Mn(II) Chain Compound.","Journal of the American Chemical Society","2016","138","20","6583","6590","10.1021/jacs.6b02485","","","1.54178","CuKα","","0.0244","0.0242","","","0.0614","0.0615","","","","","","1.029","","","","has coordinates","240812","2020-10-21","18:00:00",""
"4130350","9.9347","0.0005","10.2489","0.0006","10.6994","0.0005","63.651","0.005","67.294","0.005","70.262","0.005","882.14","0.09","290","2","290","2","","","","","","","","4","P -1","-P 1","2","","","","- C23 H16 O S -","- C23 H16 O S -","- C46 H32 O2 S2 -","2","1","","Sun, Fenggang; Li, Miao; He, Congfa; Wang, Bin; Li, Bin; Sui, Xianwei; Gu, Zhenhua","Cleavage of the C(O)-S Bond of Thioesters by Palladium/Norbornene/Copper Cooperative Catalysis: An Efficient Synthesis of 2-(Arylthio)aryl Ketones.","Journal of the American Chemical Society","2016","138","24","7456","7459","10.1021/jacs.6b02495","","","1.54184","CuKα","","0.0383","0.0372","","","0.1014","0.1023","","","","","","1.054","","","","has coordinates","240813","2020-10-21","18:00:00",""
"4130351","6.8007","0.0006","10.8026","0.0013","14.4909","0.0013","69.445","0.01","88.471","0.008","82.126","0.009","987.14","0.19","180","0.1","180","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C22 H25 N O4 -","- C22 H25 N O4 -","- C44 H50 N2 O8 -","2","1","","Yu, Xuerong; Su, Fan; Liu, Chang; Yuan, Haosen; Zhao, Shan; Zhou, Zhiyao; Quan, Tianfei; Luo, Tuoping","Enantioselective Total Syntheses of Various Amphilectane and Serrulatane Diterpenoids via Cope Rearrangements.","Journal of the American Chemical Society","2016","138","19","6261","6270","10.1021/jacs.6b02624","","","1.5418","CuKα","","0.1163","0.0738","","","0.1958","0.2342","","","","","","1.02","","","","has coordinates","240814","2020-10-21","18:00:00",""
"4130352","8.7136","0.0006","17.3862","0.0013","17.083","0.0012","90","","90","","90","","2588","0.3","150","2","150","2","","","","","","","","6","C 2 2 21","C 2c 2","20","","","","- C28 H28 Br Dy N4 O2 -","- C28 H28 Br Dy N4 O2 -","- C112 H112 Br4 Dy4 N16 O8 -","4","0.5","","Liu, Jiang; Chen, Yan-Cong; Liu, Jun-Liang; Vieru, Veacheslav; Ungur, Liviu; Jia, Jian-Hua; Chibotaru, Liviu F.; Lan, Yanhua; Wernsdorfer, Wolfgang; Gao, Song; Chen, Xiao-Ming; Tong, Ming-Liang","A Stable Pentagonal Bipyramidal Dy(III) Single-Ion Magnet with a Record Magnetization Reversal Barrier over 1000 K.","Journal of the American Chemical Society","2016","138","16","5441","5450","10.1021/jacs.6b02638","","","0.71073","MoKα","","0.0289","0.0253","","","0.0617","0.0675","","","","","","1.099","","","","has coordinates","240815","2020-10-21","18:00:00",""
"4130353","8.7031","0.0005","17.1806","0.0009","16.9926","0.0012","90","","90","","90","","2540.8","0.3","150","2","150","2","","","","","","","","6","C 2 2 21","C 2c 2","20","","","","- C28 H28 Cl Dy N4 O2 -","- C28 H28 Cl Dy N4 O2 -","- C112 H112 Cl4 Dy4 N16 O8 -","4","0.5","","Liu, Jiang; Chen, Yan-Cong; Liu, Jun-Liang; Vieru, Veacheslav; Ungur, Liviu; Jia, Jian-Hua; Chibotaru, Liviu F.; Lan, Yanhua; Wernsdorfer, Wolfgang; Gao, Song; Chen, Xiao-Ming; Tong, Ming-Liang","A Stable Pentagonal Bipyramidal Dy(III) Single-Ion Magnet with a Record Magnetization Reversal Barrier over 1000 K.","Journal of the American Chemical Society","2016","138","16","5441","5450","10.1021/jacs.6b02638","","","0.71073","MoKα","","0.0478","0.0383","","","0.0653","0.0686","","","","","","1.042","","","","has coordinates","240816","2020-10-21","18:00:00",""
"4130354","8.6882","0.0004","17.3517","0.0009","17.0584","0.0008","90","","90","","90","","2571.6","0.2","150","2","150","2","","","","","","","","6","C 2 2 21","C 2c 2","20","","","","- C28 H28 Br N4 O2 Y -","- C28 H28 Br N4 O2 Y -","- C112 H112 Br4 N16 O8 Y4 -","4","0.5","","Liu, Jiang; Chen, Yan-Cong; Liu, Jun-Liang; Vieru, Veacheslav; Ungur, Liviu; Jia, Jian-Hua; Chibotaru, Liviu F.; Lan, Yanhua; Wernsdorfer, Wolfgang; Gao, Song; Chen, Xiao-Ming; Tong, Ming-Liang","A Stable Pentagonal Bipyramidal Dy(III) Single-Ion Magnet with a Record Magnetization Reversal Barrier over 1000 K.","Journal of the American Chemical Society","2016","138","16","5441","5450","10.1021/jacs.6b02638","","","1.54178","CuKα","","0.034","0.0317","","","0.0775","0.0802","","","","","","1.027","","","","has coordinates","240817","2020-10-21","18:00:00",""
"4130355","8.6871","0.0004","17.1521","0.0006","17.0046","0.0006","90","","90","","90","","2533.72","0.17","150","2","150","2","","","","","","","","6","C 2 2 21","C 2c 2","20","","","","- C28 H28 Cl N4 O2 Y -","- C28 H28 Cl N4 O2 Y -","- C112 H112 Cl4 N16 O8 Y4 -","4","0.5","","Liu, Jiang; Chen, Yan-Cong; Liu, Jun-Liang; Vieru, Veacheslav; Ungur, Liviu; Jia, Jian-Hua; Chibotaru, Liviu F.; Lan, Yanhua; Wernsdorfer, Wolfgang; Gao, Song; Chen, Xiao-Ming; Tong, Ming-Liang","A Stable Pentagonal Bipyramidal Dy(III) Single-Ion Magnet with a Record Magnetization Reversal Barrier over 1000 K.","Journal of the American Chemical Society","2016","138","16","5441","5450","10.1021/jacs.6b02638","","","1.54178","CuKα","","0.0319","0.0305","","","0.0754","0.0765","","","","","","1.07","","","","has coordinates","240818","2020-10-21","18:00:00",""
"4130356","8.1289","0.0011","24.59","0.004","8.7228","0.0012","90","","99.753","0.006","90","","1718.4","0.4","100","","100","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C20 H20 O7 -","- C20 H20 O7 -","- C80 H80 O28 -","4","1","","Dornan, Peter K.; Lee, Daniel; Grubbs, Robert H.","Tandem Olefin Metathesis/Oxidative Cyclization: Synthesis of Tetrahydrofuran Diols from Simple Olefins.","Journal of the American Chemical Society","2016","138","20","6372","6375","10.1021/jacs.6b02653","","","1.54178","CuKα","","0.0363","0.0336","","","0.0819","0.0837","","","","","","1.072","","","","has coordinates","240819","2020-10-21","18:00:00",""
"4130357","12.0771","0.0004","10.1622","0.0004","11.7693","0.0004","90","","117.15","0.0012","90","","1285.29","0.08","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C11 H18 O7 -","- C11 H18 O7 -","- C44 H72 O28 -","4","1","","Dornan, Peter K.; Lee, Daniel; Grubbs, Robert H.","Tandem Olefin Metathesis/Oxidative Cyclization: Synthesis of Tetrahydrofuran Diols from Simple Olefins.","Journal of the American Chemical Society","2016","138","20","6372","6375","10.1021/jacs.6b02653","","","1.54178","CuKα","","0.0374","0.0315","","","0.0766","0.0801","","","","","","1.03","","","","has coordinates","240820","2020-10-21","18:00:00",""
"4130358","16.2633","0.0006","9.9482","0.0003","15.9423","0.0011","90","","90","","90","","2579.3","0.2","85","2","85","2","","","","","","","","7","P c a 21","P 2c -2ac","29","","","","- C28 H30 F N3 O2 Pd S -","- C28 H30 F N3 O2 Pd S -","- C112 H120 F4 N12 O8 Pd4 S4 -","4","1","","Pendleton, Ian M.; Pérez-Temprano, Mónica H; Sanford, Melanie S.; Zimmerman, Paul M.","Experimental and Computational Assessment of Reactivity and Mechanism in C(sp(3))-N Bond-Forming Reductive Elimination from Palladium(IV).","Journal of the American Chemical Society","2016","138","18","6049","6060","10.1021/jacs.6b02714","","","1.54178","CuKα","","0.0734","0.0714","","","0.1879","0.1895","","","","","","1.07","","","","has coordinates","240821","2020-10-21","18:00:00",""
"4130359","7.6143","0.0001","8.1214","0.0001","16.8301","0.0012","94.216","0.007","91.512","0.006","100.255","0.007","1020.53","0.08","85","2","85","2","","","","","","","","6","P -1","-P 1","2","","","","- C21 H23 N3 O2 Pd S -","- C21 H23 N3 O2 Pd S -","- C42 H46 N6 O4 Pd2 S2 -","2","1","","Pendleton, Ian M.; Pérez-Temprano, Mónica H; Sanford, Melanie S.; Zimmerman, Paul M.","Experimental and Computational Assessment of Reactivity and Mechanism in C(sp(3))-N Bond-Forming Reductive Elimination from Palladium(IV).","Journal of the American Chemical Society","2016","138","18","6049","6060","10.1021/jacs.6b02714","","","1.54178","CuKα","","0.0322","0.032","","","0.083","0.0833","","","","","","1.086","","","","has coordinates","240821","2020-10-21","18:00:00",""
"4130360","8.154","0.003","8.234","0.0002","31.472","0.002","90","","97.248","0.012","90","","2096.1","0.8","85","2","85","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C21 H20 F3 N3 O2 Pd S -","- C21 H20 F3 N3 O2 Pd S -","- C84 H80 F12 N12 O8 Pd4 S4 -","4","1","","Pendleton, Ian M.; Pérez-Temprano, Mónica H; Sanford, Melanie S.; Zimmerman, Paul M.","Experimental and Computational Assessment of Reactivity and Mechanism in C(sp(3))-N Bond-Forming Reductive Elimination from Palladium(IV).","Journal of the American Chemical Society","2016","138","18","6049","6060","10.1021/jacs.6b02714","","","1.54178","CuKα","","0.0356","0.0345","","","0.0829","0.0837","","","","","","1.059","","","","has coordinates","240821","2020-10-21","18:00:00",""
"4130361","10.044","0.0002","12.345","0.0002","17.7048","0.0012","90.013","0.006","97.735","0.007","113.481","0.008","1991.66","0.19","225","2","225","2","","","","","","","","7","P -1","-P 1","2","","","","- C37 H44 Cl2 N4 O5 Pd S2 -","- C37 H42 Cl2 N4 O5 Pd S2 -","- C74 H84 Cl4 N8 O10 Pd2 S4 -","2","1","","Pendleton, Ian M.; Pérez-Temprano, Mónica H; Sanford, Melanie S.; Zimmerman, Paul M.","Experimental and Computational Assessment of Reactivity and Mechanism in C(sp(3))-N Bond-Forming Reductive Elimination from Palladium(IV).","Journal of the American Chemical Society","2016","138","18","6049","6060","10.1021/jacs.6b02714","","","1.54178","CuKα","","0.0761","0.0726","","","0.2149","0.2212","","","","","","1.116","","","","has coordinates,has disorder","240821","2020-10-21","18:00:00",""
"4130362","25.733","0.0012","13.3912","0.0005","21.1443","0.0009","90","","94.874","0.001","90","","7259.9","0.5","100","","100","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C19 H17.5 N3.5 O4.25 Pd -","- C19 H17.5 N3.5 O4.25 Pd -","- C304 H280 N56 O68 Pd16 -","16","2","","Gurak, Jr, John A; Yang, Kin S.; Liu, Zhen; Engle, Keary M.","Directed, Regiocontrolled Hydroamination of Unactivated Alkenes via Protodepalladation.","Journal of the American Chemical Society","2016","138","18","5805","5808","10.1021/jacs.6b02718","","","0.71073","MoKα","","0.0513","0.0378","","","0.0868","0.0955","","","","","","1.027","","","","has coordinates,has disorder","240822","2020-10-21","18:00:00",""
"4130363","8.6307","0.0004","5.2843","0.0003","37.3565","0.0018","90","","94.473","0.002","90","","1698.54","0.15","100","2","100","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C20 H21 N3 O3 -","- C20 H21 N3 O3 -","- C80 H84 N12 O12 -","4","1","","Gurak, Jr, John A; Yang, Kin S.; Liu, Zhen; Engle, Keary M.","Directed, Regiocontrolled Hydroamination of Unactivated Alkenes via Protodepalladation.","Journal of the American Chemical Society","2016","138","18","5805","5808","10.1021/jacs.6b02718","","","1.54178","CuKα","","0.0606","0.0592","","","0.1816","0.1831","","","","","","1.08","","","","has coordinates","240823","2020-10-21","18:00:00",""
"4130364","8.5434","0.0004","11.3181","0.0005","19.657","0.001","106.087","0.002","96.817","0.002","97.583","0.002","1786.12","0.15","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C43 H56 Co O2 -","- C43 H56 Co O2 -","- C86 H112 Co2 O4 -","2","1","","Bellow, James A.; Stoian, Sebastian A.; van Tol, Johan; Ozarowski, Andrew; Lord, Richard L.; Groysman, Stanislav","Synthesis and Characterization of a Stable High-Valent Cobalt Carbene Complex.","Journal of the American Chemical Society","2016","138","17","5531","5534","10.1021/jacs.6b02747","","","0.71073","MoKα","","0.0638","0.0553","","","0.1373","0.1401","","","","","","1.12","","","","has coordinates","240824","2020-10-21","18:00:00",""
"4130365","42.9399","0.0015","12.8337","0.0005","18.6967","0.0007","90","","95.8809","0.0013","90","","10249.1","0.7","173","2","173","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C46.5 H39.5 Cl1.5 F6 Ir N6 O5 -","- C46.5 H39.5 Cl1.5 F6 Ir N6 O5 -","- C372 H316 Cl12 F48 Ir8 N48 O40 -","8","1","","Xu, Weici; Arieno, Marcus; Löw, Henrik; Huang, Kaifang; Xie, Xiulan; Cruchter, Thomas; Ma, Qiao; Xi, Jianwei; Huang, Biao; Wiest, Olaf; Gong, Lei; Meggers, Eric","Metal-Templated Design: Enantioselective Hydrogen-Bond-Driven Catalysis Requiring Only Parts-per-Million Catalyst Loading.","Journal of the American Chemical Society","2016","138","28","8774","8780","10.1021/jacs.6b02769","","","0.70932","MoKα","","0.0755","0.0595","","","0.1867","0.2137","","","","","","1.008","","","","has coordinates","240825","2020-10-21","18:00:00",""
"4130366","10.3862","0.0003","21.7927","0.0007","15.7223","0.0005","90","","104.915","0.003","90","","3438.74","0.19","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C36 H27 Cl5 Ir N5 O2 -","- C36 H27 Cl5 Ir N5 O2 -","- C144 H108 Cl20 Ir4 N20 O8 -","4","1","","Xu, Weici; Arieno, Marcus; Löw, Henrik; Huang, Kaifang; Xie, Xiulan; Cruchter, Thomas; Ma, Qiao; Xi, Jianwei; Huang, Biao; Wiest, Olaf; Gong, Lei; Meggers, Eric","Metal-Templated Design: Enantioselective Hydrogen-Bond-Driven Catalysis Requiring Only Parts-per-Million Catalyst Loading.","Journal of the American Chemical Society","2016","138","28","8774","8780","10.1021/jacs.6b02769","","","0.71073","MoKα","","0.0501","0.0418","","","0.1264","0.1349","","","","","","0.995","","","","has coordinates","240826","2020-10-21","18:00:00",""
"4130367","10.4226","0.0003","22.0201","0.0004","15.7757","0.0004","90","","104.508","0.003","90","","3505.18","0.16","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C36 H27 Cl5 N5 O2 Rh -","- C36 H27 Cl5 N5 O2 Rh -","- C144 H108 Cl20 N20 O8 Rh4 -","4","1","","Xu, Weici; Arieno, Marcus; Löw, Henrik; Huang, Kaifang; Xie, Xiulan; Cruchter, Thomas; Ma, Qiao; Xi, Jianwei; Huang, Biao; Wiest, Olaf; Gong, Lei; Meggers, Eric","Metal-Templated Design: Enantioselective Hydrogen-Bond-Driven Catalysis Requiring Only Parts-per-Million Catalyst Loading.","Journal of the American Chemical Society","2016","138","28","8774","8780","10.1021/jacs.6b02769","","","0.71073","MoKα","","0.0466","0.0417","","","0.0978","0.1004","","","","","","1.004","","","","has coordinates","240827","2020-10-21","18:00:00",""
"4130368","19.6428","0.001","9.1623","0.0005","33.756","0.002","90","","94.1615","0.0015","90","","6059.2","0.6","120","2","120","2","","","","","","","","3","I 1 2/a 1","-I 2ya","15","","","","- C39 H38 Si -","- C39 H38 Si -","- C312 H304 Si8 -","8","1","","Lutters, Dennis; Severin, Claudia; Schmidtmann, Marc; Müller, Thomas","Activation of 7-Silanorbornadienes by N-Heterocyclic Carbenes: A Selective Way to N-Heterocyclic-Carbene-Stabilized Silylenes.","Journal of the American Chemical Society","2016","138","18","6061","6067","10.1021/jacs.6b02824","","","0.71073","MoKα","","0.0708","0.0455","","","0.107","0.1203","","","","","","1.03","","","","has coordinates","240828","2020-10-21","18:00:00",""
"4130369","8.3788","0.0007","13.7166","0.0013","23.034","0.002","90","","97.494","0.003","90","","2624.7","0.4","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C31 H38 N2 Si -","- C31 H38 N2 Si -","- C124 H152 N8 Si4 -","4","1","","Lutters, Dennis; Severin, Claudia; Schmidtmann, Marc; Müller, Thomas","Activation of 7-Silanorbornadienes by N-Heterocyclic Carbenes: A Selective Way to N-Heterocyclic-Carbene-Stabilized Silylenes.","Journal of the American Chemical Society","2016","138","18","6061","6067","10.1021/jacs.6b02824","","","0.71073","MoKα","","0.0789","0.0458","","","0.0964","0.1092","","","","","","1.013","","","","has coordinates","240829","2020-10-21","18:00:00",""
"4130370","11.176","0.0006","14.3407","0.0008","15.4197","0.0009","106.774","0.0015","103.054","0.0016","99.4585","0.0016","2234.2","0.2","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C49 H74 N2 Si -","- C49 H74 N2 Si -","- C98 H148 N4 Si2 -","2","1","","Lutters, Dennis; Severin, Claudia; Schmidtmann, Marc; Müller, Thomas","Activation of 7-Silanorbornadienes by N-Heterocyclic Carbenes: A Selective Way to N-Heterocyclic-Carbene-Stabilized Silylenes.","Journal of the American Chemical Society","2016","138","18","6061","6067","10.1021/jacs.6b02824","","","0.71073","MoKα","","0.0809","0.0632","","","0.1733","0.1899","","","","","","1.002","","","","has coordinates,has disorder","240830","2020-10-21","18:00:00",""
"4130371","22.2976","0.0005","21.8242","0.0005","23.9794","0.0005","90","","90","","90","","11669","0.4","100","2","100","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C64.5 H82 Fe N2 O4 Si -","- C64.5 H82 Fe N2 O4 Si -","- C516 H656 Fe8 N16 O32 Si8 -","8","1","","Lutters, Dennis; Severin, Claudia; Schmidtmann, Marc; Müller, Thomas","Activation of 7-Silanorbornadienes by N-Heterocyclic Carbenes: A Selective Way to N-Heterocyclic-Carbene-Stabilized Silylenes.","Journal of the American Chemical Society","2016","138","18","6061","6067","10.1021/jacs.6b02824","","","0.71073","MoKα","","0.0693","0.045","","","0.0994","0.1109","","","","","","1.029","","","","has coordinates,has disorder","240831","2020-10-21","18:00:00",""
"4130372","10.358","0.0003","18.6766","0.0005","8.495","0.0002","90","","109.125","0.001","90","","1552.67","0.07","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","BNH-III-066","","","- C19 H19 N O3 -","- C19 H19 N O3 -","- C76 H76 N4 O12 -","4","1","","Hemric, Brett N.; Shen, Kun; Wang, Qiu","Copper-Catalyzed Amino Lactonization and Amino Oxygenation of Alkenes Using O-Benzoylhydroxylamines.","Journal of the American Chemical Society","2016","138","18","5813","5816","10.1021/jacs.6b02840","","","0.71073","MoKα","","0.0618","0.0511","","","0.1357","0.1439","","","","","","1.028","","","","has coordinates","240832","2020-10-21","18:00:00",""
"4130373","9.6266","0.0001","12.1164","0.0002","15.763","0.0002","107.201","0.0007","99.0307","0.0008","95.8325","0.0008","1713.1","0.04","253","0.1","253","0.1","","","","","","","","7","P -1","-P 1","2","","","","- C25 H28 F10 I2 N2 O6 S -","- C25 H28 F10 I2 N2 O6 S -","- C50 H56 F20 I4 N4 O12 S2 -","2","1","","Topić, Filip; Rissanen, Kari","Systematic Construction of Ternary Cocrystals by Orthogonal and Robust Hydrogen and Halogen Bonds.","Journal of the American Chemical Society","2016","138","20","6610","6616","10.1021/jacs.6b02854","","","0.71073","MoKα","","0.0854","0.0525","","","0.1095","0.1232","","","","","","1.036","","","","has coordinates,has disorder","240833","2020-10-21","18:00:00",""
"4130374","9.609","0.0003","11.7874","0.0004","15.6613","0.0006","106.088","0.003","99.072","0.003","97.208","0.003","1656.12","0.11","123","0.1","123","0.1","","","","","","","","7","P -1","-P 1","2","","","","- C25 H28 F10 I2 N2 O6 S -","- C25 H28 F10 I2 N2 O6 S -","- C50 H56 F20 I4 N4 O12 S2 -","2","1","","Topić, Filip; Rissanen, Kari","Systematic Construction of Ternary Cocrystals by Orthogonal and Robust Hydrogen and Halogen Bonds.","Journal of the American Chemical Society","2016","138","20","6610","6616","10.1021/jacs.6b02854","","x-ray","0.71073","MoKα","","0.0392","0.0304","","","0.052","0.0569","","","","","","1.029","","","","has coordinates,has disorder","240833","2020-10-21","18:00:00",""
"4130375","8.6068","0.0001","8.8928","0.0001","13.1636","0.0002","81.3961","0.0006","81.8363","0.0006","81.3533","0.0007","977.47","0.02","253","0.1","253","0.1","","","","","","","","7","P -1","-P 1","2","","","","- C26 H32 F8 I4 N4 O6 S2 -","- C26 H32 F8 I4 N4 O6 S2 -","- C26 H32 F8 I4 N4 O6 S2 -","1","0.5","","Topić, Filip; Rissanen, Kari","Systematic Construction of Ternary Cocrystals by Orthogonal and Robust Hydrogen and Halogen Bonds.","Journal of the American Chemical Society","2016","138","20","6610","6616","10.1021/jacs.6b02854","","","0.71073","MoKα","","0.0266","0.0224","","","0.0475","0.049","","","","","","1.05","","","","has coordinates","240833","2020-10-21","18:00:00",""
"4130376","11.9213","0.0003","18.4095","0.0006","8.7557","0.0002","90","","98.516","0.002","90","","1900.39","0.09","123","0.1","123","0.1","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C26 H32 F8 I4 N4 O6 S2 -","- C26 H32 F8 I4 N4 O6 S2 -","- C52 H64 F16 I8 N8 O12 S4 -","2","0.5","","Topić, Filip; Rissanen, Kari","Systematic Construction of Ternary Cocrystals by Orthogonal and Robust Hydrogen and Halogen Bonds.","Journal of the American Chemical Society","2016","138","20","6610","6616","10.1021/jacs.6b02854","","x-ray","0.71073","MoKα","","0.0206","0.0178","","","0.0381","0.0391","","","","","","1.032","","","","has coordinates","240833","2020-10-21","18:00:00",""
"4130377","11.5819","0.0003","18.0821","0.0007","8.6578","0.0003","90","","98.464","0.003","90","","1793.41","0.11","123","0.1","123","0.1","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C26 H32 Br4 F8 N4 O6 S2 -","- C26 H32 Br4 F8 N4 O6 S2 -","- C52 H64 Br8 F16 N8 O12 S4 -","2","0.5","","Topić, Filip; Rissanen, Kari","Systematic Construction of Ternary Cocrystals by Orthogonal and Robust Hydrogen and Halogen Bonds.","Journal of the American Chemical Society","2016","138","20","6610","6616","10.1021/jacs.6b02854","","x-ray","0.71073","MoKα","","0.0498","0.0327","","","0.061","0.0667","","","","","","1.026","","","","has coordinates","240833","2020-10-21","18:00:00",""
"4130378","11.9443","0.0005","19.5839","0.0005","26.1625","0.0009","90","","90","","90","","6119.8","0.4","253","0.1","253","0.1","","","","","","","","7","I b c a","-I 2b 2c","73","","","","- C17 H28 F8 I2 N2 O6 S -","- C17 H28 F8 I2 N2 O6 S -","- C136 H224 F64 I16 N16 O48 S8 -","8","0.5","","Topić, Filip; Rissanen, Kari","Systematic Construction of Ternary Cocrystals by Orthogonal and Robust Hydrogen and Halogen Bonds.","Journal of the American Chemical Society","2016","138","20","6610","6616","10.1021/jacs.6b02854","","","0.71073","MoKα","","0.1376","0.0939","","","0.1931","0.2181","","","","","","1.112","","","","has coordinates,has disorder","240833","2020-10-21","18:00:00",""
"4130379","12.599","0.0003","17.0505","0.0004","19.7734","0.0004","69.408","0.002","85.6061","0.0019","69.27","0.002","3713.32","0.16","253","0.1","253","0.1","","","","","","","","7","P -1","-P 1","2","","","","- C27.38 H30 F11.15 I2.22 N2 O6 S -","- C27.3818 H30 F11.1515 I2.2303 N2 O6 S -","- C109.527 H120 F44.606 I8.9212 N8 O24 S4 -","4","2","","Topić, Filip; Rissanen, Kari","Systematic Construction of Ternary Cocrystals by Orthogonal and Robust Hydrogen and Halogen Bonds.","Journal of the American Chemical Society","2016","138","20","6610","6616","10.1021/jacs.6b02854","","x-ray","0.71073","MoKα","","0.0498","0.037","","","0.0867","0.0951","","","","","","1.03","","","","has coordinates,has disorder","240833","2020-10-21","18:00:00",""
"4130380","12.44152","0.00019","16.9891","0.0003","19.5792","0.0003","68.9618","0.0016","85.8437","0.0013","69.8182","0.0016","3619.2","0.12","123","0.1","123","0.1","","","","","","","","7","P -1","-P 1","2","","","","- C27.35 H30 F11.12 I2.22 N2 O6 S -","- C27.3617 H30 F11.1348 I2.22695 N2 O6 S -","- C109.447 H120 F44.539 I8.9078 N8 O24 S4 -","4","2","","Topić, Filip; Rissanen, Kari","Systematic Construction of Ternary Cocrystals by Orthogonal and Robust Hydrogen and Halogen Bonds.","Journal of the American Chemical Society","2016","138","20","6610","6616","10.1021/jacs.6b02854","","x-ray","0.71073","MoKα","","0.0312","0.0261","","","0.0587","0.0615","","","","","","1.058","","","","has coordinates,has disorder","240833","2020-10-21","18:00:00",""
"4130381","9.8179","0.0002","13.3362","0.0003","15.0376","0.0006","73.839","0.003","89.14","0.002","83.3489","0.0019","1878.09","0.1","253","0.1","253","0.1","","","","","","","","7","P -1","-P 1","2","","","","- C26 H30 F8 I4 N2 O6 S -","- C26 H30 F8 I4 N2 O6 S -","- C52 H60 F16 I8 N4 O12 S2 -","2","1","","Topić, Filip; Rissanen, Kari","Systematic Construction of Ternary Cocrystals by Orthogonal and Robust Hydrogen and Halogen Bonds.","Journal of the American Chemical Society","2016","138","20","6610","6616","10.1021/jacs.6b02854","","","0.71073","MoKα","","0.0629","0.054","","","0.1133","0.1165","","","","","","1.138","","","","has coordinates,has disorder","240833","2020-10-21","18:00:00",""
"4130382","9.72","0.0003","10.7923","0.0003","11.3901","0.0003","86.699","0.002","63.843","0.003","73.958","0.002","1027.85","0.06","253","0.1","253","0.1","","","","","","","","7","P -1","-P 1","2","","","","- C28 H36 F8 I4 N4 O6 S2 -","- C28 H36 F8 I4 N4 O6 S2 -","- C28 H36 F8 I4 N4 O6 S2 -","1","0.5","","Topić, Filip; Rissanen, Kari","Systematic Construction of Ternary Cocrystals by Orthogonal and Robust Hydrogen and Halogen Bonds.","Journal of the American Chemical Society","2016","138","20","6610","6616","10.1021/jacs.6b02854","","","0.71073","MoKα","","0.0549","0.0442","","","0.0699","0.0736","","","","","","1.178","","","","has coordinates,has disorder","240833","2020-10-21","18:00:00",""
"4130383","9.846","0.0002","10.4792","0.0003","11.3413","0.0003","85.313","0.002","64.871","0.002","71.883","0.002","1005.18","0.05","123","0.1","123","0.1","","","","","","","","7","P -1","-P 1","2","","","","- C28 H36 F8 I4 N4 O6 S2 -","- C28 H36 F8 I4 N4 O6 S2 -","- C28 H36 F8 I4 N4 O6 S2 -","1","0.5","","Topić, Filip; Rissanen, Kari","Systematic Construction of Ternary Cocrystals by Orthogonal and Robust Hydrogen and Halogen Bonds.","Journal of the American Chemical Society","2016","138","20","6610","6616","10.1021/jacs.6b02854","","","0.71073","MoKα","","0.0239","0.0232","","","0.0557","0.056","","","","","","1.246","","","","has coordinates","240833","2020-10-21","18:00:00",""
"4130384","10.0188","0.0001","13.4363","0.0001","15.5834","0.0002","90","","90.1191","0.0007","90","","2097.76","0.04","253","0.1","253","0.1","","","","","","","","7","P 1 2/c 1","-P 2yc","13","","","","- C28 H36 F8 I4 N4 O6 S2 -","- C28 H36 F8 I4 N4 O6 S2 -","- C56 H72 F16 I8 N8 O12 S4 -","2","0.5","","Topić, Filip; Rissanen, Kari","Systematic Construction of Ternary Cocrystals by Orthogonal and Robust Hydrogen and Halogen Bonds.","Journal of the American Chemical Society","2016","138","20","6610","6616","10.1021/jacs.6b02854","","","0.71073","MoKα","","0.0445","0.0367","","","0.0822","0.0859","","","","","","1.031","","","","has coordinates,has disorder","240833","2020-10-21","18:00:00",""
"4130385","9.9852","0.0001","13.3367","0.0001","15.2415","0.0002","90","","90.7746","0.0006","90","","2029.52","0.04","123","0.1","123","0.1","","","","","","","","7","P 1 2/c 1","-P 2yc","13","","","","- C28 H36 F8 I4 N4 O6 S2 -","- C28 H36 F8 I4 N4 O6 S2 -","- C56 H72 F16 I8 N8 O12 S4 -","2","0.5","","Topić, Filip; Rissanen, Kari","Systematic Construction of Ternary Cocrystals by Orthogonal and Robust Hydrogen and Halogen Bonds.","Journal of the American Chemical Society","2016","138","20","6610","6616","10.1021/jacs.6b02854","","","0.71073","MoKα","","0.0307","0.0282","","","0.0603","0.0613","","","","","","1.122","","","","has coordinates,has disorder","240833","2020-10-21","18:00:00",""
"4130386","9.8094","0.0003","12.7105","0.0003","15.1305","0.0005","112.153","0.0016","91.9758","0.0012","97.0029","0.0017","1727.56","0.09","123","0.1","123","0.1","","","","","","","","7","P -1","-P 1","2","","","","- C26 H30 Br4 F8 N2 O6 S -","- C26 H30 Br4 F8 N2 O6 S -","- C52 H60 Br8 F16 N4 O12 S2 -","2","1","","Topić, Filip; Rissanen, Kari","Systematic Construction of Ternary Cocrystals by Orthogonal and Robust Hydrogen and Halogen Bonds.","Journal of the American Chemical Society","2016","138","20","6610","6616","10.1021/jacs.6b02854","","","0.71073","MoKα","","0.0596","0.0403","","","0.0868","0.0946","","","","","","1.05","","","","has coordinates","240833","2020-10-21","18:00:00",""
"4130387","9.7881","0.0001","12.6817","0.0001","13.5747","0.0001","94.8419","0.0006","105.916","0.0004","93.9121","0.0006","1607.29","0.02","253","0.1","253","0.1","","","","","","","","7","P -1","-P 1","2","","","","- C18 H30 F8 I2 N2 O6 S -","- C18 H30 F8 I2 N2 O6 S -","- C36 H60 F16 I4 N4 O12 S2 -","2","1","","Topić, Filip; Rissanen, Kari","Systematic Construction of Ternary Cocrystals by Orthogonal and Robust Hydrogen and Halogen Bonds.","Journal of the American Chemical Society","2016","138","20","6610","6616","10.1021/jacs.6b02854","","","0.71073","MoKα","","0.0406","0.0324","","","0.0727","0.0767","","","","","","1.012","","","","has coordinates,has disorder","240833","2020-10-21","18:00:00",""
"4130388","10.37","0.0002","13.8862","0.0002","12.7542","0.0001","90","","103.61","0.0008","90","","1785.03","0.05","170","0.1","170","0.1","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C29 H28 F10 I2 N2 O6 S -","- C29 H28 F10 I2 N2 O6 S -","- C58 H56 F20 I4 N4 O12 S2 -","2","1","","Topić, Filip; Rissanen, Kari","Systematic Construction of Ternary Cocrystals by Orthogonal and Robust Hydrogen and Halogen Bonds.","Journal of the American Chemical Society","2016","138","20","6610","6616","10.1021/jacs.6b02854","","","0.71073","MoKα","","0.0347","0.0295","","","0.0633","0.0656","","","","","","1.024","","","","has coordinates,has disorder","240833","2020-10-21","18:00:00",""
"4130389","8.9537","0.0001","9.519","0.0001","11.4872","0.0001","80.3533","0.0006","75.0509","0.0008","70.2282","0.0007","886.677","0.016","170","0.1","170","0.1","","","","","","","","7","P 1","P 1","1","","","","- C29 H28 F10 I2 N2 O6 S -","- C29 H28 F10 I2 N2 O6 S -","- C29 H28 F10 I2 N2 O6 S -","1","1","","Topić, Filip; Rissanen, Kari","Systematic Construction of Ternary Cocrystals by Orthogonal and Robust Hydrogen and Halogen Bonds.","Journal of the American Chemical Society","2016","138","20","6610","6616","10.1021/jacs.6b02854","","","0.71073","MoKα","","0.031","0.0261","","","0.0553","0.0572","","","","","","1.07","","","","has coordinates","240833","2020-10-21","18:00:00",""
"4130390","9.1335","0.0002","12.3265","0.0003","26.0309","0.0007","90","","99.35","0.002","90","","2891.73","0.12","123","0.1","123","0.1","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C23 H28 F4 I2 N2 O6 S -","- C23 H28 F4 I2 N2 O6 S -","- C92 H112 F16 I8 N8 O24 S4 -","4","1","","Topić, Filip; Rissanen, Kari","Systematic Construction of Ternary Cocrystals by Orthogonal and Robust Hydrogen and Halogen Bonds.","Journal of the American Chemical Society","2016","138","20","6610","6616","10.1021/jacs.6b02854","","x-ray","0.71073","MoKα","","0.0199","0.0179","","","0.0395","0.0405","","","","","","1.078","","","","has coordinates","240833","2020-10-21","18:00:00",""
"4130391","12.3528","0.0001","25.5555","0.0002","38.3682","0.0003","90","","90","","90","","12112.2","0.17","123","0.1","123","0.1","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C21 H28 F8 I2 N2 O6 S -","- C21.008 H28.012 F8 I2 N2 O6.003 S -","- C336.128 H448.192 F128 I32 N32 O96.048 S16 -","16","2","","Topić, Filip; Rissanen, Kari","Systematic Construction of Ternary Cocrystals by Orthogonal and Robust Hydrogen and Halogen Bonds.","Journal of the American Chemical Society","2016","138","20","6610","6616","10.1021/jacs.6b02854","","","0.71073","MoKα","","0.0505","0.0393","","","0.083","0.0876","","","","","","1.056","","","","has coordinates,has disorder","240833","2020-10-21","18:00:00",""
"4130392","9.7851","0.0001","13.5446","0.0002","16.3773","0.0002","90","","96.9011","0.0009","90","","2154.84","0.05","253","0.1","253","0.1","","","","","","","","7","P 1 2/c 1","-P 2yc","13","","","","- C32 H36 F8 I4 N4 O6 S2 -","- C32 H36 F8 I4 N4 O6 S2 -","- C64 H72 F16 I8 N8 O12 S4 -","2","0.5","","Topić, Filip; Rissanen, Kari","Systematic Construction of Ternary Cocrystals by Orthogonal and Robust Hydrogen and Halogen Bonds.","Journal of the American Chemical Society","2016","138","20","6610","6616","10.1021/jacs.6b02854","","","0.71073","MoKα","","0.0461","0.0331","","","0.0656","0.0702","","","","","","1.041","","","","has coordinates","240833","2020-10-21","18:00:00",""
"4130393","12.5948","0.0003","25.0859","0.0009","19.8262","0.0005","90","","96.447","0.003","90","","6224.5","0.3","123","0.1","123","0.1","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C22 H30 F8 I2 N2 O6 S -","- C22.002 H30 F8.004 I2 N2 O6 S -","- C176.016 H240 F64.032 I16 N16 O48 S8 -","8","2","","Topić, Filip; Rissanen, Kari","Systematic Construction of Ternary Cocrystals by Orthogonal and Robust Hydrogen and Halogen Bonds.","Journal of the American Chemical Society","2016","138","20","6610","6616","10.1021/jacs.6b02854","","x-ray","0.71073","MoKα","","0.039","0.0285","","","0.0573","0.0591","","","","","","0.942","","","","has coordinates,has disorder","240833","2020-10-21","18:00:00",""
"4130394","10.3194","0.0008","8.9387","0.0008","20.8179","0.0014","90","","90.85","0.003","90","","1920.1","0.3","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C50 H46 P2 Pd -","- C50 H46 P2 Pd -","- C100 H92 P4 Pd2 -","2","1","","Gutiérrez-Bonet, Álvaro; Juliá-Hernández, Francisco; de Luis, Beatriz; Martin, Ruben","Pd-Catalyzed C(sp(3))-H Functionalization/Carbenoid Insertion: All-Carbon Quaternary Centers via Multiple C-C Bond Formation.","Journal of the American Chemical Society","2016","138","20","6384","6387","10.1021/jacs.6b02867","","","0.71073","MoKα","","0.0907","0.0599","","","0.1111","0.1222","","","","","","1.021","","","","has coordinates,has disorder","240834","2020-10-21","18:00:00",""
"4130395","8.2724","0.0006","8.3263","0.0005","12.4647","0.0008","99.3703","0.0019","98.059","0.002","119.556","0.0018","712.13","0.08","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C18 H18 O2 -","- C18 H18 O2 -","- C36 H36 O4 -","2","1","","Gutiérrez-Bonet, Álvaro; Juliá-Hernández, Francisco; de Luis, Beatriz; Martin, Ruben","Pd-Catalyzed C(sp(3))-H Functionalization/Carbenoid Insertion: All-Carbon Quaternary Centers via Multiple C-C Bond Formation.","Journal of the American Chemical Society","2016","138","20","6384","6387","10.1021/jacs.6b02867","","","0.71073","MoKα","","0.0646","0.0598","","","0.1705","0.1743","","","","","","1.115","","","","has coordinates","240835","2020-10-21","18:00:00",""
"4130396","9.595","0.0018","9.6214","0.0019","21.763","0.005","86.505","0.007","83.992","0.007","87.351","0.008","1992.7","0.7","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C46 H64 O P2 Pd -","- C46 H64 O P2 Pd -","- C92 H128 O2 P4 Pd2 -","2","1","","Gutiérrez-Bonet, Álvaro; Juliá-Hernández, Francisco; de Luis, Beatriz; Martin, Ruben","Pd-Catalyzed C(sp(3))-H Functionalization/Carbenoid Insertion: All-Carbon Quaternary Centers via Multiple C-C Bond Formation.","Journal of the American Chemical Society","2016","138","20","6384","6387","10.1021/jacs.6b02867","","","0.71073","MoKα","","0.2081","0.1332","","","0.2918","0.3162","","","","","","1.516","","","","has coordinates","240836","2020-10-21","18:00:00",""
"4130397","8.96","0.003","13.051","0.005","27.917","0.01","96.541","0.007","90.943","0.007","100.171","0.007","3190","2","298","2","298","2","","","","","","","","2","P -1","-P 1","2","","","","- C19 Cl15 -","- C19 Cl15 -","- C76 Cl60 -","4","2","","Souto, Manuel; Cui, HengBo; Peña-Álvarez, Miriam; Baonza, Valentín G; Jeschke, Harald O.; Tomic, Milan; Valentí, Roser; Blasi, Davide; Ratera, Imma; Rovira, Concepció; Veciana, Jaume","Pressure-Induced Conductivity in a Neutral Nonplanar Spin-Localized Radical.","Journal of the American Chemical Society","2016","138","36","11517","11525","10.1021/jacs.6b02888","","","0.71073","MoKα","","0.1766","0.0691","","","0.1541","0.2052","","","","","","0.881","","","","has coordinates","240837","2020-10-21","18:00:00",""
"4130398","17.411","0.003","7.9517","0.0016","30.177","0.006","90","","103.588","0.004","90","","4061","1.3","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C35 H10 Cl14 N S4 -","- C35 H10 Cl14 N S4 -","- C140 H40 Cl56 N4 S16 -","4","2","","Souto, Manuel; Cui, HengBo; Peña-Álvarez, Miriam; Baonza, Valentín G; Jeschke, Harald O.; Tomic, Milan; Valentí, Roser; Blasi, Davide; Ratera, Imma; Rovira, Concepció; Veciana, Jaume","Pressure-Induced Conductivity in a Neutral Nonplanar Spin-Localized Radical.","Journal of the American Chemical Society","2016","138","36","11517","11525","10.1021/jacs.6b02888","","","0.71073","MoKα","","0.2193","0.0614","","","0.1036","0.1457","","","","","","0.917","","","","has coordinates","240838","2020-10-21","18:00:00",""
"4130399","12.1017","0.0004","12.7507","0.0004","14.0794","0.0005","71.154","0.001","82.268","0.001","71.918","0.001","1953.09","0.11","100","","100","","","","","","","","","8","P -1","-P 1","2","","","","- C33.5 H36 Cl4 F6 N4 O3.5 P Ru -","- C33.5 H36 Cl4 F6 N4 O3.5 P Ru -","- C67 H72 Cl8 F12 N8 O7 P2 Ru2 -","2","1","","Xie, Jianhui; Man, Wai-Lun; Wong, Chun-Yuen; Chang, Xiaoyong; Che, Chi-Ming; Lau, Tai-Chu","Four-Electron Oxidation of Phenols to p-Benzoquinone Imines by a (Salen)ruthenium(VI) Nitrido Complex.","Journal of the American Chemical Society","2016","138","18","5817","5820","10.1021/jacs.6b02923","","","1.54178","CuKα","","0.0753","0.074","","","0.2049","0.2063","","","","","","1.085","","","","has coordinates,has disorder","240839","2020-10-21","18:00:00",""
"4130400","24.8814","0.0006","20.0338","0.0005","29.5126","0.0007","90","","90","","90","","14711.1","0.6","100","","100","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C35.25 H33.75 Cl2 N4.75 O3.5 Ru -","- C35.25 H33.75 Cl2 N4.75 O3.5 Ru -","- C564 H540 Cl32 N76 O56 Ru16 -","16","2","","Xie, Jianhui; Man, Wai-Lun; Wong, Chun-Yuen; Chang, Xiaoyong; Che, Chi-Ming; Lau, Tai-Chu","Four-Electron Oxidation of Phenols to p-Benzoquinone Imines by a (Salen)ruthenium(VI) Nitrido Complex.","Journal of the American Chemical Society","2016","138","18","5817","5820","10.1021/jacs.6b02923","","","1.54178","CuKα","","0.0506","0.0477","","","0.1329","0.1361","","","","","","1.093","","","","has coordinates,has disorder","240841","2020-10-21","18:00:00",""
"4130401","10.5376","0.0008","13.4923","0.001","13.7084","0.0011","90","","90","","90","","1949","0.3","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C24 H19 Cl O4 -","- C24 H19 Cl O4 -","- C96 H76 Cl4 O16 -","4","1","","Zhang, Guoxiang; Yang, Shuang; Zhang, Xiaoyan; Lin, Qiqiao; Das, Deb K.; Liu, Jian; Fang, Xinqiang","Dynamic Kinetic Resolution Enabled by Intramolecular Benzoin Reaction: Synthetic Applications and Mechanistic Insights.","Journal of the American Chemical Society","2016","138","25","7932","7938","10.1021/jacs.6b02929","","","0.71073","MoKα","","0.0394","0.0345","","","0.0815","0.0855","","","","","","1.036","","","","has coordinates","240842","2020-10-21","18:00:00",""
"4130402","6.2378","0.0012","11.146","0.002","23.681","0.005","90","","90","","90","","1646.5","0.6","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C19 H17 Cl O4 -","- C19 H17 Cl O4 -","- C76 H68 Cl4 O16 -","4","1","","Zhang, Guoxiang; Yang, Shuang; Zhang, Xiaoyan; Lin, Qiqiao; Das, Deb K.; Liu, Jian; Fang, Xinqiang","Dynamic Kinetic Resolution Enabled by Intramolecular Benzoin Reaction: Synthetic Applications and Mechanistic Insights.","Journal of the American Chemical Society","2016","138","25","7932","7938","10.1021/jacs.6b02929","","","0.71073","MoKα","","0.0455","0.0403","","","0.0982","0.1014","","","","","","1.052","","","","has coordinates","240843","2020-10-21","18:00:00",""
"4130403","6.0467","0.0004","9.9294","0.0008","27.622","0.002","90","","90","","90","","1658.4","0.2","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C19 H17 Br O3 -","- C19 H17 Br O3 -","- C76 H68 Br4 O12 -","4","1","","Zhang, Guoxiang; Yang, Shuang; Zhang, Xiaoyan; Lin, Qiqiao; Das, Deb K.; Liu, Jian; Fang, Xinqiang","Dynamic Kinetic Resolution Enabled by Intramolecular Benzoin Reaction: Synthetic Applications and Mechanistic Insights.","Journal of the American Chemical Society","2016","138","25","7932","7938","10.1021/jacs.6b02929","","","0.71073","MoKα","","0.052","0.0324","","","0.0698","0.077","","","","","","0.884","","","","has coordinates","240844","2020-10-21","18:00:00",""
"4130404","6.6769","0.0005","12.7034","0.0012","23.779","0.002","90","","90","","90","","2016.9","0.3","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C24 H19 Cl O4 -","- C24 H19 Cl O4 -","- C96 H76 Cl4 O16 -","4","1","","Zhang, Guoxiang; Yang, Shuang; Zhang, Xiaoyan; Lin, Qiqiao; Das, Deb K.; Liu, Jian; Fang, Xinqiang","Dynamic Kinetic Resolution Enabled by Intramolecular Benzoin Reaction: Synthetic Applications and Mechanistic Insights.","Journal of the American Chemical Society","2016","138","25","7932","7938","10.1021/jacs.6b02929","","","0.71073","MoKα","","0.0878","0.0789","","","0.23","0.2413","","","","","","1.091","","","","has coordinates","240845","2020-10-21","18:00:00",""
"4130405","23.1392","0.001","23.1392","0.001","41.5631","0.0019","90","","90","","90","","22253.8","1.7","298","2","298.15","","","","","","","","","4","I 41/a c d :2","-I 4bd 2c","142","","","","- In4 O10 S32 Sn16 -","- In4 O10 S32 Sn16 -","- In32 O80 S256 Sn128 -","8","0.25","","Zhang, Xian-Ming; Sarma, Debajit; Wu, Ya-Qin; Wang, Li; Ning, Zhi-Xue; Zhang, Fu-Qiang; Kanatzidis, Mercouri G.","Open-Framework Oxysulfide Based on the Supertetrahedral [In4Sn16O10S34](12-) Cluster and Efficient Sequestration of Heavy Metals.","Journal of the American Chemical Society","2016","138","17","5543","5546","10.1021/jacs.6b02959","","","0.71073","MoKα","","0.1079","0.0444","","","0.0919","0.1056","","","","","","0.794","","","","has coordinates","240846","2020-10-21","18:00:00",""
"4130406","8.587","0.003","11.651","0.004","14.574","0.006","107.133","0.005","97.316","0.005","92.476","0.005","1377","0.9","143","","143","","","","","","","","","4","P -1","-P 1","2","","","","- C17 H17 D O2 -","- C17 H18 O2 -","- C68 H72 O8 -","4","2","","Nogi, Keisuke; Fujihara, Tetsuaki; Terao, Jun; Tsuji, Yasushi","Carboxyzincation Employing Carbon Dioxide and Zinc Powder: Cobalt-Catalyzed Multicomponent Coupling Reactions with Alkynes.","Journal of the American Chemical Society","2016","138","17","5547","5550","10.1021/jacs.6b02961","","","0.7107","MoKα","","0.0764","0.0395","","","0.084","0.1023","","","","","","1.016","","","","has coordinates","240847","2020-10-21","18:00:00",""
"4130407","20.128","0.018","43.359","0.039","7.4073","0.0067","90","","90.5085","0.0041","90","","6464","10","300","","300","","","","","","","","","3","C 1 n 1","C -2yac","9","","","","- C66 H36 O12 -","- C66 H36 O12 -","- C264 H144 O48 -","4","1","","Hisaki, Ichiro; Nakagawa, Shoichi; Ikenaka, Nobuaki; Imamura, Yutaka; Katouda, Michio; Tashiro, Motomichi; Tsuchida, Hiromu; Ogoshi, Tomoki; Sato, Hiroyasu; Tohnai, Norimitsu; Miyata, Mikiji","A Series of Layered Assemblies of Hydrogen-Bonded, Hexagonal Networks of C3-Symmetric π-Conjugated Molecules: A Potential Motif of Porous Organic Materials.","Journal of the American Chemical Society","2016","138","20","6617","6628","10.1021/jacs.6b02968","","","1","synchrotron","","","","","","","","","","","","","","","","","has coordinates","240848","2020-10-21","18:00:00",""
"4130408","18.238","0.0002","21.7332","0.0002","21.6772","0.0002","105.474","0.0004","103.115","0.0005","99.916","0.0009","7812.88","0.14","93","","93","","","","","","","","","4","P -1","-P 1","2","","","","- C143 H87 N O27 -","- C143 H87 N O27 -","- C286 H174 N2 O54 -","2","1","","Hisaki, Ichiro; Nakagawa, Shoichi; Ikenaka, Nobuaki; Imamura, Yutaka; Katouda, Michio; Tashiro, Motomichi; Tsuchida, Hiromu; Ogoshi, Tomoki; Sato, Hiroyasu; Tohnai, Norimitsu; Miyata, Mikiji","A Series of Layered Assemblies of Hydrogen-Bonded, Hexagonal Networks of C3-Symmetric π-Conjugated Molecules: A Potential Motif of Porous Organic Materials.","Journal of the American Chemical Society","2016","138","20","6617","6628","10.1021/jacs.6b02968","","","0.8","synchrotron","","0.1389","0.1204","","","0.3683","0.3903","","","","","","1.655","","","","has coordinates,has disorder","240849","2020-10-21","18:00:00",""
"4130409","14.2413","0.0003","16.8612","0.0003","20.8726","0.0004","89.539","0.0008","88.175","0.0008","82.566","0.0008","4967.35","0.17","113","","113","","","","","","","","","5","P -1","-P 1","2","","","","- C81 H60 Cl3 N3 O15 -","- C81 H60 Cl3 N3 O15 -","- C162 H120 Cl6 N6 O30 -","2","1","","Hisaki, Ichiro; Nakagawa, Shoichi; Ikenaka, Nobuaki; Imamura, Yutaka; Katouda, Michio; Tashiro, Motomichi; Tsuchida, Hiromu; Ogoshi, Tomoki; Sato, Hiroyasu; Tohnai, Norimitsu; Miyata, Mikiji","A Series of Layered Assemblies of Hydrogen-Bonded, Hexagonal Networks of C3-Symmetric π-Conjugated Molecules: A Potential Motif of Porous Organic Materials.","Journal of the American Chemical Society","2016","138","20","6617","6628","10.1021/jacs.6b02968","","","1.54187","CuKα","","0.2245","0.123","","","0.3723","0.4397","","","","","","1.113","","","","has coordinates","240850","2020-10-21","18:00:00",""
"4130410","15.3971","0.0011","17.5779","0.0009","26.0548","0.0013","88.62","0.004","87.381","0.005","65.012","0.006","6384.9","0.7","100","","100","","","","","","","","","4","P -1","-P 1","2","","","","- C141 H73.5 Cl25.5 O12 -","- C141 H73.5 Cl25.5 O12 -","- C282 H147 Cl51 O24 -","2","1","","Hisaki, Ichiro; Nakagawa, Shoichi; Ikenaka, Nobuaki; Imamura, Yutaka; Katouda, Michio; Tashiro, Motomichi; Tsuchida, Hiromu; Ogoshi, Tomoki; Sato, Hiroyasu; Tohnai, Norimitsu; Miyata, Mikiji","A Series of Layered Assemblies of Hydrogen-Bonded, Hexagonal Networks of C3-Symmetric π-Conjugated Molecules: A Potential Motif of Porous Organic Materials.","Journal of the American Chemical Society","2016","138","20","6617","6628","10.1021/jacs.6b02968","","","1.54187","CuKα","","0.2597","0.1413","","","0.3875","0.4324","","","","","","1.088","","","","has coordinates,has disorder","240851","2020-10-21","18:00:00",""
"4130411","15.3981","0.0002","21.2475","0.0002","23.5028","0.0002","67.6497","0.0006","76.3614","0.0006","83.8777","0.0007","6910.01","0.13","93","","93","","","","","","","","","4","P -1","-P 1","2","","","","- C138 H75 Cl3 O24 -","- C138 H75 Cl3 O24 -","- C276 H150 Cl6 O48 -","2","1","","Hisaki, Ichiro; Nakagawa, Shoichi; Ikenaka, Nobuaki; Imamura, Yutaka; Katouda, Michio; Tashiro, Motomichi; Tsuchida, Hiromu; Ogoshi, Tomoki; Sato, Hiroyasu; Tohnai, Norimitsu; Miyata, Mikiji","A Series of Layered Assemblies of Hydrogen-Bonded, Hexagonal Networks of C3-Symmetric π-Conjugated Molecules: A Potential Motif of Porous Organic Materials.","Journal of the American Chemical Society","2016","138","20","6617","6628","10.1021/jacs.6b02968","","","0.8","synchrotron","","0.1195","0.1065","","","0.3245","0.3362","","","","","","1.061","","","","has coordinates","240852","2020-10-21","18:00:00",""
"4130412","10.4003","0.0009","16.0666","0.0013","21.687","0.0018","106.88","0.004","91.828","0.004","90.151","0.004","3465.7","0.5","100","2","100.04","","","","","","","","","7","P -1","-P 1","2","","","","- C34 H62 Cu4 K N13 O33 P4 -","- C34 H48 Cu4 K N13 O33 P4 -","- C68 H96 Cu8 K2 N26 O66 P8 -","2","1","","Du, Kang; Harris, T. David","A Cu(II)2 Paramagnetic Chemical Exchange Saturation Transfer Contrast Agent Enabled by Magnetic Exchange Coupling.","Journal of the American Chemical Society","2016","138","25","7804","7807","10.1021/jacs.6b03060","","","0.71073","MoKα","","0.0823","0.0705","","","0.2074","0.2169","","","","","","1.043","","","","has coordinates,has disorder","240853","2020-10-21","18:00:00",""
"4130413","18.133","0.012","11.428","0.007","29.728","0.019","90","","96.237","0.006","90","","6124","7","183","2","183","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C24 H47 O3 P3 Pd S -","- C24.001 H45.285 O3 P3 Pd S -","- C192.008 H362.28 O24 P24 Pd8 S8 -","8","1","","Zhu, Yueyue; Chen, Tieqiao; Li, Shan; Shimada, Shigeru; Han, Li-Biao","Efficient Pd-Catalyzed Dehydrogenative Coupling of P(O)H with RSH: A Precise Construction of P(O)-S Bonds.","Journal of the American Chemical Society","2016","138","18","5825","5828","10.1021/jacs.6b03112","","","0.71073","MoKα","","0.0302","0.0277","","","0.0657","0.0673","","","","","","1.111","","","","has coordinates,has disorder","240854","2020-10-21","18:00:00",""
"4130414","7.8238","0.0012","9.782","0.0015","14.414","0.002","90","","91.602","0.002","90","","1102.7","0.3","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C16 H0.5 Cu I2 N8 -","- C16 H24 Cu I2 N8 -","- C32 H48 Cu2 I4 N16 -","2","0.5","","Liebeskind, Lanny S.; Gangireddy, Pavankumar; Lindale, Matthew G.","Benzoisothiazolone Organo/Copper-Cocatalyzed Redox Dehydrative Construction of Amides and Peptides from Carboxylic Acids using (EtO)3P as the Reductant and O2 in Air as the Terminal Oxidant.","Journal of the American Chemical Society","2016","138","21","6715","6718","10.1021/jacs.6b03168","","","0.71073","MoKα","","0.0302","0.0269","","","0.0669","0.0697","","","","","","1.125","","","","has coordinates","240855","2020-10-21","18:00:00",""
"4130415","15.835","0.002","15.835","0.002","27.47","0.006","90","","90","","120","","5965.2","1.7","173","2","173.15","","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","","","- C39 H60 Fe O3 P2 -","- C39 H60 Fe O3 P2 -","- C234 H360 Fe6 O18 P12 -","6","0.166667","","Lang, Georgette M.; Shima, Takanori; Wang, Leyong; Cluff, Kyle J.; Skopek, Katrin; Hampel, Frank; Blümel, Janet; Gladysz, John A.","Gyroscope-Like Complexes Based on Dibridgehead Diphosphine Cages That Are Accessed by Three-Fold Intramolecular Ring Closing Metatheses and Encase Fe(CO)3, Fe(CO)2(NO)(+), and Fe(CO)3(H)(+) Rotators.","Journal of the American Chemical Society","2016","138","24","7649","7663","10.1021/jacs.6b03178","","","0.71073","MoKα","","0.08","0.0527","","","0.1115","0.1214","","","","","","1.085","","","","has coordinates","240856","2020-10-21","18:00:00",""
"4130416","13.082","0.0003","23.0562","0.0009","17.1097","0.0006","90","","106.467","0.002","90","","4949","0.3","173","2","173.15","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C51 H78 Fe O3 P2 -","- C51 H78 Fe O3 P2 -","- C204 H312 Fe4 O12 P8 -","4","0.5","","Lang, Georgette M.; Shima, Takanori; Wang, Leyong; Cluff, Kyle J.; Skopek, Katrin; Hampel, Frank; Blümel, Janet; Gladysz, John A.","Gyroscope-Like Complexes Based on Dibridgehead Diphosphine Cages That Are Accessed by Three-Fold Intramolecular Ring Closing Metatheses and Encase Fe(CO)3, Fe(CO)2(NO)(+), and Fe(CO)3(H)(+) Rotators.","Journal of the American Chemical Society","2016","138","24","7649","7663","10.1021/jacs.6b03178","","","0.71073","MoKα","","0.054","0.0336","","","0.0799","0.0875","","","","","","1.03","","","","has coordinates","240856","2020-10-21","18:00:00",""
"4130417","21.5104","0.0008","13.9765","0.0006","18.3436","0.0008","90","","122.839","0.002","90","","4633.5","0.3","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C45 H84 Fe O3 P2 -","- C45 H84 Fe O3 P2 -","- C180 H336 Fe4 O12 P8 -","4","0.5","","Lang, Georgette M.; Shima, Takanori; Wang, Leyong; Cluff, Kyle J.; Skopek, Katrin; Hampel, Frank; Blümel, Janet; Gladysz, John A.","Gyroscope-Like Complexes Based on Dibridgehead Diphosphine Cages That Are Accessed by Three-Fold Intramolecular Ring Closing Metatheses and Encase Fe(CO)3, Fe(CO)2(NO)(+), and Fe(CO)3(H)(+) Rotators.","Journal of the American Chemical Society","2016","138","24","7649","7663","10.1021/jacs.6b03178","","","0.71073","MoKα","","0.0889","0.0428","","","0.0907","0.1036","","","","","","1.001","","","","has coordinates","240856","2020-10-21","18:00:00",""
"4130418","8.0463","0.0004","16.1268","0.0007","22.1134","0.001","90","","90","","90","","2869.5","0.2","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","LC3","","","- C31 H47 Au Cl3 P -","- C31 H47 Au Cl3 P -","- C124 H188 Au4 Cl12 P4 -","4","1","","Chen, Liye; Ren, Peng; Carrow, Brad P.","Tri(1-adamantyl)phosphine: Expanding the Boundary of Electron-Releasing Character Available to Organophosphorus Compounds.","Journal of the American Chemical Society","2016","138","20","6392","6395","10.1021/jacs.6b03215","","","0.71073","MoKα","","0.0345","0.0311","","","0.0669","0.0677","","","","","","1.105","","","","has coordinates","240857","2020-10-21","18:00:00",""
"4130419","10.7563","0.0008","11.5192","0.0008","17.1433","0.0012","90","","91.448","0.002","90","","2123.4","0.3","100","","100","","","","","","","","","7","P 1 n 1","P -2yac","7","","","","- C49 H68 N O5 P Pd S -","- C49 H68 N O5 P Pd S -","- C98 H136 N2 O10 P2 Pd2 S2 -","2","1","","Chen, Liye; Ren, Peng; Carrow, Brad P.","Tri(1-adamantyl)phosphine: Expanding the Boundary of Electron-Releasing Character Available to Organophosphorus Compounds.","Journal of the American Chemical Society","2016","138","20","6392","6395","10.1021/jacs.6b03215","","","0.71073","MoKα","","0.0267","0.0239","","","0.0545","0.0556","","","","","","1.0309","","","","has coordinates","240858","2020-10-21","18:00:00",""
"4130420","31.4376","0.0008","13.3371","0.0004","19.0763","0.0005","90","","91.084","0.001","90","","7997","0.4","100","","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C37 H59 Ce N5 O3 Si2 -","- C37 H59 Ce N5 O3 Si2 -","- C296 H472 Ce8 N40 O24 Si16 -","8","2","","Solola, Lukman A.; Zabula, Alexander V.; Dorfner, Walter L.; Manor, Brian C.; Carroll, Patrick J.; Schelter, Eric J.","An Alkali Metal-Capped Cerium(IV) Imido Complex.","Journal of the American Chemical Society","2016","138","22","6928","6931","10.1021/jacs.6b03293","","","0.71073","MoKα","","0.0847","0.049","","","0.0927","0.105","","","","","","1.059","","","","has coordinates","254024","2020-10-21","18:00:00",""
"4130421","11.9773","0.0003","17.8482","0.0004","20.9505","0.0005","90","","97.343","0.001","90","","4441.93","0.18","100","","100","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C45 H57 Ce F6 N5 O4 -","- C45 H57 Ce F6 N5 O4 -","- C180 H228 Ce4 F24 N20 O16 -","4","1","","Solola, Lukman A.; Zabula, Alexander V.; Dorfner, Walter L.; Manor, Brian C.; Carroll, Patrick J.; Schelter, Eric J.","An Alkali Metal-Capped Cerium(IV) Imido Complex.","Journal of the American Chemical Society","2016","138","22","6928","6931","10.1021/jacs.6b03293","","","0.71073","MoKα","","0.061","0.0376","","","0.0833","0.0916","","","","","","1.031","","","","has coordinates","240859","2020-10-21","18:00:00",""
"4130422","11.8007","0.0006","17.3405","0.0009","14.0927","0.0007","90","","91.239","0.003","90","","2883.1","0.3","100","","100","","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C49 H68 Ce F6 K N5 O7 -","- C49 H68 Ce F6 K N5 O7 -","- C98 H136 Ce2 F12 K2 N10 O14 -","2","1","","Solola, Lukman A.; Zabula, Alexander V.; Dorfner, Walter L.; Manor, Brian C.; Carroll, Patrick J.; Schelter, Eric J.","An Alkali Metal-Capped Cerium(IV) Imido Complex.","Journal of the American Chemical Society","2016","138","22","6928","6931","10.1021/jacs.6b03293","","","0.71073","MoKα","","0.0349","0.027","","","0.0557","0.0579","","","","","","1.006","","","","has coordinates,has disorder","240859","2020-10-21","18:00:00",""
"4130423","11.3019","0.0003","12.196","0.0003","18.6065","0.0005","103.394","0.002","93.797","0.002","113.733","0.002","2247.02","0.11","100","","100","","","","","","","","","7","P -1","-P 1","2","","","","- C44 H57 Ce F6 N5 O3 Si -","- C44 H57 Ce F6 N5 O3 Si -","- C88 H114 Ce2 F12 N10 O6 Si2 -","2","1","","Solola, Lukman A.; Zabula, Alexander V.; Dorfner, Walter L.; Manor, Brian C.; Carroll, Patrick J.; Schelter, Eric J.","An Alkali Metal-Capped Cerium(IV) Imido Complex.","Journal of the American Chemical Society","2016","138","22","6928","6931","10.1021/jacs.6b03293","","","0.71073","MoKα","","0.0341","0.0258","","","0.0532","0.056","","","","","","1.03","","","","has coordinates","240859","2020-10-21","18:00:00",""
"4130424","10.1007","0.0008","12.8982","0.0007","15.4354","0.0015","81.816","0.006","80.903","0.009","70.138","0.006","1859","0.3","293","2","293","2","","","","","","","","5","P 1","P 1","1","","","","- C28 H52 Au N S8 -","- C28 H52 Au N S8 -","- C56 H104 Au2 N2 S16 -","2","2","","Branzea, Diana G.; Pop, Flavia; Auban-Senzier, Pascale; Clérac, Rodolphe; Alemany, Pere; Canadell, Enric; Avarvari, Narcis","Localization versus Delocalization in Chiral Single Component Conductors of Gold Bis(dithiolene) Complexes.","Journal of the American Chemical Society","2016","138","21","6838","6851","10.1021/jacs.6b03342","","","0.71073","MoKα","","0.0854","0.0379","","","0.0641","0.0793","","","","","","1.027","","","","has coordinates","240860","2020-10-21","18:00:00",""
"4130425","9.9946","0.0006","12.8908","0.0012","15.4197","0.0013","81.69","0.006","80.294","0.005","69.818","0.006","1830","0.3","293","2","293","2","","","","","","","","5","P 1","P 1","1","","","","- C28 H52 N Ni S8 -","- C28 H52 N Ni S8 -","- C56 H104 N2 Ni2 S16 -","2","2","","Branzea, Diana G.; Pop, Flavia; Auban-Senzier, Pascale; Clérac, Rodolphe; Alemany, Pere; Canadell, Enric; Avarvari, Narcis","Localization versus Delocalization in Chiral Single Component Conductors of Gold Bis(dithiolene) Complexes.","Journal of the American Chemical Society","2016","138","21","6838","6851","10.1021/jacs.6b03342","","","0.71073","MoKα","","0.0936","0.045","","","0.0871","0.1068","","","","","","1.02","","","","has coordinates","240860","2020-10-21","18:00:00",""
"4130426","6.957","0.005","7.938","0.005","9.378","0.005","73.394","0.005","74.625","0.005","73.189","0.005","465.6","0.5","293","2","293","2","","","","","","","","4","P 1","P 1","1","","","","- C12 H16 Au S8 -","- C12 H16 Au S8 -","- C12 H16 Au S8 -","1","1","","Branzea, Diana G.; Pop, Flavia; Auban-Senzier, Pascale; Clérac, Rodolphe; Alemany, Pere; Canadell, Enric; Avarvari, Narcis","Localization versus Delocalization in Chiral Single Component Conductors of Gold Bis(dithiolene) Complexes.","Journal of the American Chemical Society","2016","138","21","6838","6851","10.1021/jacs.6b03342","","","0.71073","MoKα","","0.0784","0.0454","","","0.0625","0.0678","","","","","","1.01","","","","has coordinates","240860","2020-10-21","18:00:00",""
"4130427","6.9784","0.0004","7.8994","0.0006","9.217","0.0005","70.105","0.006","75.451","0.005","75.277","0.004","454.44","0.05","293","2","293","2","","","","","","","","4","P 1","P 1","1","","","","- C12 H16 Ni S8 -","- C12 H16 Ni S8 -","- C12 H16 Ni S8 -","1","1","","Branzea, Diana G.; Pop, Flavia; Auban-Senzier, Pascale; Clérac, Rodolphe; Alemany, Pere; Canadell, Enric; Avarvari, Narcis","Localization versus Delocalization in Chiral Single Component Conductors of Gold Bis(dithiolene) Complexes.","Journal of the American Chemical Society","2016","138","21","6838","6851","10.1021/jacs.6b03342","","","0.71073","MoKα","","0.0415","0.0267","","","0.0576","0.061","","","","","","1.019","","","","has coordinates","240860","2020-10-21","18:00:00",""
"4130428","11.7881","0.0002","16.3973","0.0002","19.778","0.0003","90","","105.539","0.0018","90","","3683.22","0.1","110","2","110","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C37 H28 B2 F12 Fe N6 O -","- C37 H28 B2 F12 Fe N6 O -","- C148 H112 B8 F48 Fe4 N24 O4 -","4","1","","Sahu, Sumit; Zhang, Bo; Pollock, Christopher J.; Dürr, Maximilian; Davies, Casey G.; Confer, Alex M.; Ivanović-Burmazović, Ivana; Siegler, Maxime A.; Jameson, Guy N. L.; Krebs, Carsten; Goldberg, David P.","Aromatic C-F Hydroxylation by Nonheme Iron(IV)-Oxo Complexes: Structural, Spectroscopic, and Mechanistic Investigations.","Journal of the American Chemical Society","2016","138","39","12791","12802","10.1021/jacs.6b03346","","","1.54178","CuKα","","0.0499","0.0379","","","0.0907","0.0978","","","","","","1.024","","","","has coordinates,has disorder","240861","2020-10-21","18:00:00",""
"4130429","14.4312","0.0004","12.8954","0.0003","18.3009","0.0005","90","","92.161","0.002","90","","3403.3","0.15","110","2","110","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C35 H28 Cl F4 Fe N5 O6 -","- C35 H28 Cl0.9995 F4 Fe N5 O5.998 -","- C140 H112 Cl3.998 F16 Fe4 N20 O23.992 -","4","2","","Sahu, Sumit; Zhang, Bo; Pollock, Christopher J.; Dürr, Maximilian; Davies, Casey G.; Confer, Alex M.; Ivanović-Burmazović, Ivana; Siegler, Maxime A.; Jameson, Guy N. L.; Krebs, Carsten; Goldberg, David P.","Aromatic C-F Hydroxylation by Nonheme Iron(IV)-Oxo Complexes: Structural, Spectroscopic, and Mechanistic Investigations.","Journal of the American Chemical Society","2016","138","39","12791","12802","10.1021/jacs.6b03346","","","1.54178","CuKα","","0.034","0.0332","","","0.0904","0.0909","","","","","","1.018","","","","has coordinates,has disorder","240862","2020-10-21","18:00:00",""
"4130430","11.655","0.0002","26.4005","0.0006","28.4632","0.0005","90","","91.2677","0.0015","90","","8755.9","0.3","110","2","110","2","","","","","","","","7","I 1 2/m 1","-I 2y","12","","","","- C76 H61 Cl4 F6 Fe2 N11 O22 -","- C76 H61 Cl4.0008 F6 Fe2 N11 O21.8862 -","- C304 H244 Cl16.0032 F24 Fe8 N44 O87.5448 -","4","0.5","","Sahu, Sumit; Zhang, Bo; Pollock, Christopher J.; Dürr, Maximilian; Davies, Casey G.; Confer, Alex M.; Ivanović-Burmazović, Ivana; Siegler, Maxime A.; Jameson, Guy N. L.; Krebs, Carsten; Goldberg, David P.","Aromatic C-F Hydroxylation by Nonheme Iron(IV)-Oxo Complexes: Structural, Spectroscopic, and Mechanistic Investigations.","Journal of the American Chemical Society","2016","138","39","12791","12802","10.1021/jacs.6b03346","","","1.54178","CuKα","","0.0679","0.0576","","","0.1669","0.1771","","","","","","1.033","","","","has coordinates,has disorder","240863","2020-10-21","18:00:00",""
"4130431","12.6196","0.0003","20.6085","0.0005","14.9361","0.0003","90","","96.679","0.002","90","","3858.08","0.15","110","2","110","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C39 H32 Cl2 F4 Fe N6 O10 -","- C39 H32 Cl2 F4 Fe N6 O10 -","- C156 H128 Cl8 F16 Fe4 N24 O40 -","4","1","","Sahu, Sumit; Zhang, Bo; Pollock, Christopher J.; Dürr, Maximilian; Davies, Casey G.; Confer, Alex M.; Ivanović-Burmazović, Ivana; Siegler, Maxime A.; Jameson, Guy N. L.; Krebs, Carsten; Goldberg, David P.","Aromatic C-F Hydroxylation by Nonheme Iron(IV)-Oxo Complexes: Structural, Spectroscopic, and Mechanistic Investigations.","Journal of the American Chemical Society","2016","138","39","12791","12802","10.1021/jacs.6b03346","","","1.54178","CuKα","","0.0521","0.0393","","","0.0939","0.1022","","","","","","1.014","","","","has coordinates,has disorder","240864","2020-10-21","18:00:00",""
"4130432","14.3561","0.001","7.4881","0.0006","18.4363","0.0012","90","","109.055","0.002","90","","1873.3","0.2","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H16 N2 O2 Ru -","- C24 H16 N2 O2 Ru -","- C96 H64 N8 O8 Ru4 -","4","1","","Fan, Zhoulong; Ni, Jiabin; Zhang, Ao","Meta-Selective CAr-H Nitration of Arenes through a Ru3(CO)12-Catalyzed Ortho-Metalation Strategy.","Journal of the American Chemical Society","2016","138","27","8470","8475","10.1021/jacs.6b03402","","","0.71073","MoKα","","0.0514","0.0353","","","0.0945","0.1277","","","","","","1.097","","","","has coordinates","240865","2020-10-21","18:00:00",""
"4130433","11.1346","0.0002","10.5539","0.0002","28.386","0.0006","90","","98.7877","0.0017","90","","3296.58","0.11","150","2","150","0.1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C42 H30 B F5 S -","- C42.0025 H30 B F5 S -","- C168.01 H120 B4 F20 S4 -","4","2","","Süsse, Lars; Hermeke, Julia; Oestreich, Martin","The Asymmetric Piers Hydrosilylation.","Journal of the American Chemical Society","2016","138","22","6940","6943","10.1021/jacs.6b03443","","x-ray","1.54184","CuKα","","0.0513","0.0425","","","0.1003","0.1124","","","","","","1.065","","","","has coordinates,has disorder","240866","2020-10-21","18:00:00",""
"4130434","26.977","0.004","14.654","0.002","23.39","0.003","90","","90","","90","","9247","2","100","","100","","","","","","","","dichloromethane","9","C m c e","-C 2ac 2","64","","Title","","- C43 H39 As2 B2 Cl F14 N3 O Rh -","- C43 H39 As2 B2 Cl F14 N3 O Rh -","- C344 H312 As16 B16 Cl8 F112 N24 O8 Rh8 -","8","0.5","","Dube, Jonathan W.; Zheng, Yiying; Thiel, Walter; Alcarazo, Manuel","α-Cationic Arsines: Synthesis, Structure, Reactivity, and Applications.","Journal of the American Chemical Society","2016","138","21","6869","6877","10.1021/jacs.6b03500","","","0.71073","Mo-Kα","","0.0737","0.0368","","","0.0777","0.0931","","","","","","1.087","","","","has coordinates,has disorder","240867","2020-10-21","18:00:00",""
"4130435","17.3093","0.0004","6.24868","0.00015","29.0192","0.0008","90","","102.724","0.003","90","","3061.65","0.14","100","0.11","100","0.11","","","","","","","","5","I 1 2 1","I 2y","5","","","","- C34 H34 Br2 N2 O3 -","- C34 H34 Br2 N2 O3 -","- C136 H136 Br8 N8 O12 -","4","1","","Poulsen, Pernille H.; Vergura, Stefania; Monleón, Alicia; Jørgensen, Danny Kaare Bech; Jørgensen, Karl Anker","Controlling Asymmetric Remote and Cascade 1,3-Dipolar Cycloaddition Reactions by Organocatalysis.","Journal of the American Chemical Society","2016","138","20","6412","6415","10.1021/jacs.6b03546","","x-ray","0.71073","MoKα","","0.0545","0.0456","","","0.1141","0.1217","","","","","","1.054","","","","has coordinates","240868","2020-10-21","18:00:00",""
"4130436","24.836","0.003","10.6607","0.0006","29.1236","0.0019","90","","102.166","0.008","90","","7537.8","1.1","180","2","180","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C67 H14 B F35 Ge N4 -","- C67 H14 B F35 Ge N4 -","- C268 H56 B4 F140 Ge4 N16 -","4","1","","Fang, Huayi; Jing, Huize; Zhang, Aixi; Ge, Haonan; Yao, Zhengmin; Brothers, Penelope J.; Fu, Xuefeng","Synthesis, Electronic Structure, and Reactivity Studies of a 4-Coordinate Square Planar Germanium(IV) Cation.","Journal of the American Chemical Society","2016","138","24","7705","7710","10.1021/jacs.6b03547","","","1.54184","CuKα","","0.131","0.102","","","0.2715","0.2984","","","","","","1.173","","","","has coordinates","240869","2020-10-21","18:00:00",""
"4130437","8.499","0.0019","35.608","0.007","26.043","0.006","90","","97.695","0.003","90","","7810","3","173.15","","173.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C45 H17 F15 Ge N4 -","- C45 H17 F15 Ge N4 -","- C360 H136 F120 Ge8 N32 -","8","2","","Fang, Huayi; Jing, Huize; Zhang, Aixi; Ge, Haonan; Yao, Zhengmin; Brothers, Penelope J.; Fu, Xuefeng","Synthesis, Electronic Structure, and Reactivity Studies of a 4-Coordinate Square Planar Germanium(IV) Cation.","Journal of the American Chemical Society","2016","138","24","7705","7710","10.1021/jacs.6b03547","","","0.71073","MoKα","","0.1171","0.091","","","0.1465","0.1575","","","","","","1.199","","","","has coordinates,has disorder","240870","2020-10-21","18:00:00",""
"4130438","13.1675","0.0005","15.2199","0.0009","19.0967","0.0011","94.292","0.005","95.582","0.004","98.626","0.004","3750.3","0.3","180.01","0.1","180.01","0.1","","","","","","","","7","P -1","-P 1","2","","","","- C69 H24 B F35 Ge N4 O2 -","- C69 H24 B F35 Ge N4 O2 -","- C138 H48 B2 F70 Ge2 N8 O4 -","2","1","","Fang, Huayi; Jing, Huize; Zhang, Aixi; Ge, Haonan; Yao, Zhengmin; Brothers, Penelope J.; Fu, Xuefeng","Synthesis, Electronic Structure, and Reactivity Studies of a 4-Coordinate Square Planar Germanium(IV) Cation.","Journal of the American Chemical Society","2016","138","24","7705","7710","10.1021/jacs.6b03547","","","1.54178","CuKα","","0.1197","0.071","","","0.162","0.1975","","","","","","0.973","","","","has coordinates,has disorder","240871","2020-10-21","18:00:00",""
"4130439","21.5561","0.0008","19.0714","0.0008","17.2328","0.0008","90","","93.376","0.002","90","","7072.2","0.5","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C43 H13 F15 Ge N4 -","- C43 H13 F15 Ge N4 -","- C344 H104 F120 Ge8 N32 -","8","1","","Fang, Huayi; Jing, Huize; Zhang, Aixi; Ge, Haonan; Yao, Zhengmin; Brothers, Penelope J.; Fu, Xuefeng","Synthesis, Electronic Structure, and Reactivity Studies of a 4-Coordinate Square Planar Germanium(IV) Cation.","Journal of the American Chemical Society","2016","138","24","7705","7710","10.1021/jacs.6b03547","","","0.71073","MoKα","","0.0652","0.0457","","","0.1067","0.1176","","","","","","1.047","","","","has coordinates","240872","2020-10-21","18:00:00",""
"4130440","15.204","0.003","10.0045","0.0016","24.937","0.004","90","","91.887","0.003","90","","3791.1","1.1","173.15","","173.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C46 H19 F15 Ge N4 -","- C46 H19 F15 Ge N4 -","- C184 H76 F60 Ge4 N16 -","4","1","","Fang, Huayi; Jing, Huize; Zhang, Aixi; Ge, Haonan; Yao, Zhengmin; Brothers, Penelope J.; Fu, Xuefeng","Synthesis, Electronic Structure, and Reactivity Studies of a 4-Coordinate Square Planar Germanium(IV) Cation.","Journal of the American Chemical Society","2016","138","24","7705","7710","10.1021/jacs.6b03547","","","0.71073","MoKα","","0.0473","0.0425","","","0.0935","0.0959","","","","","","1.142","","","","has coordinates","240873","2020-10-21","18:00:00",""
"4130441","12.331","0.0014","14.8171","0.0016","15.2967","0.0018","75.578","0.004","88.007","0.005","79.011","0.005","2656.9","0.5","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C64 H35 F16 Ge N4 -","- C64 H35 F16 Ge N4 -","- C128 H70 F32 Ge2 N8 -","2","1","","Fang, Huayi; Jing, Huize; Zhang, Aixi; Ge, Haonan; Yao, Zhengmin; Brothers, Penelope J.; Fu, Xuefeng","Synthesis, Electronic Structure, and Reactivity Studies of a 4-Coordinate Square Planar Germanium(IV) Cation.","Journal of the American Chemical Society","2016","138","24","7705","7710","10.1021/jacs.6b03547","","","0.71073","MoKα","","0.0606","0.0545","","","0.1131","0.1174","","","","","","1.105","","","","has coordinates","240874","2020-10-21","18:00:00",""
"4130442","14.7965","0.0004","14.7965","0.0004","38.3211","0.001","90","","90","","120","","7265.9","0.3","100","2","100","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C85.82 H25.82 B12 Cl5.46 F60 O12.99 -","- C85.82 H25.82 B12 Cl5.46 F60 O12.994 -","- C257.46 H77.46 B36 Cl16.38 F180 O38.982 -","3","0.166667","","Messina, Marco S.; Axtell, Jonathan C.; Wang, Yiqun; Chong, Paul; Wixtrom, Alex I.; Kirlikovali, Kent O.; Upton, Brianna M.; Hunter, Bryan M.; Shafaat, Oliver S.; Khan, Saeed I.; Winkler, Jay R.; Gray, Harry B.; Alexandrova, Anastassia N.; Maynard, Heather D.; Spokoyny, Alexander M.","Visible-Light-Induced Olefin Activation Using 3D Aromatic Boron-Rich Cluster Photooxidants.","Journal of the American Chemical Society","2016","138","22","6952","6955","10.1021/jacs.6b03568","","","1.54178","CuKα","","0.0311","0.0304","","","0.0806","0.0811","","","","","","1.094","","","","has coordinates,has disorder","240875","2020-10-21","18:00:00",""
"4130443","8.4676","0.0018","9.549","0.002","15.57","0.003","90","","90","","90","","1258.9","0.4","290","","290","","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C2 H5 N3 O4 P Zn0.5 -","- C2 H5 N3 O4 P Zn0.5 -","- C16 H40 N24 O32 P8 Zn4 -","8","1","","Inukai, Munehiro; Horike, Satoshi; Itakura, Tomoya; Shinozaki, Ryota; Ogiwara, Naoki; Umeyama, Daiki; Nagarkar, Sanjog S.; Nishiyama, Yusuke; Malon, Michal; Hayashi, Akari; Ohhara, Takashi; Kiyanagi, Ryoji; Kitagawa, Susumu","Encapsulating Mobile Proton Carriers into Structural Defects in Coordination Polymer Crystals: High Anhydrous Proton Conduction and Fuel Cell Application.","Journal of the American Chemical Society","2016","138","27","8505","8511","10.1021/jacs.6b03625","","","1","neutrons","","0.065","0.0636","","","0.1602","0.1613","","","","","","1.142","","","","has coordinates","240876","2020-10-21","18:00:00",""
"4130444","8.4676","0.0018","9.549","0.002","15.57","0.003","90","","90","","90","","1258.9","0.4","77","","77","","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C2 H5 N3 O4 P Zn0.5 -","- C2 H5 N3 O4 P Zn0.5 -","- C16 H40 N24 O32 P8 Zn4 -","8","1","","Inukai, Munehiro; Horike, Satoshi; Itakura, Tomoya; Shinozaki, Ryota; Ogiwara, Naoki; Umeyama, Daiki; Nagarkar, Sanjog S.; Nishiyama, Yusuke; Malon, Michal; Hayashi, Akari; Ohhara, Takashi; Kiyanagi, Ryoji; Kitagawa, Susumu","Encapsulating Mobile Proton Carriers into Structural Defects in Coordination Polymer Crystals: High Anhydrous Proton Conduction and Fuel Cell Application.","Journal of the American Chemical Society","2016","138","27","8505","8511","10.1021/jacs.6b03625","","","1","neutrons","","0.0655","0.065","","","0.1513","0.1515","","","","","","1.077","","","","has coordinates","240877","2020-10-21","18:00:00",""
"4130445","15.982","0.005","16.075","0.005","28.684","0.01","90","","90","","90","","7369","4","291","2","291","2","","","","","","","","6","P c c n","-P 2ab 2ac","56","","","","- C31 H57 B2 Ir O6 P2 -","- C31 H57 B2 Ir O6 P2 -","- C248 H456 B16 Ir8 O48 P16 -","8","1","","Press, Loren P.; Kosanovich, Alex J.; McCulloch, Billy J.; Ozerov, Oleg V.","High-Turnover Aromatic C-H Borylation Catalyzed by POCOP-Type Pincer Complexes of Iridium.","Journal of the American Chemical Society","2016","138","30","9487","9497","10.1021/jacs.6b03656","","","0.71073","MoKα","","0.0644","0.0268","","","0.0539","0.0664","","","","","","1.001","","","","has coordinates,has disorder","240878","2020-10-21","18:00:00",""
"4130446","8.512","0.0019","20.125","0.004","18.462","0.004","90","","98.697","0.003","90","","3126.3","1.2","110","2","110","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C57 H108 Cl2 Ir2 O4 P4 -","- C57 H106 Cl2 Ir2 O4 P4 -","- C114 H212 Cl4 Ir4 O8 P8 -","2","0.5","","Press, Loren P.; Kosanovich, Alex J.; McCulloch, Billy J.; Ozerov, Oleg V.","High-Turnover Aromatic C-H Borylation Catalyzed by POCOP-Type Pincer Complexes of Iridium.","Journal of the American Chemical Society","2016","138","30","9487","9497","10.1021/jacs.6b03656","","","0.71073","MoKα","","0.0418","0.0383","","","0.099","0.1013","","","","","","1.022","","","","has coordinates,has disorder","240878","2020-10-21","18:00:00",""
"4130447","19.124","0.005","7.909","0.002","24.508","0.007","90","","104.134","0.003","90","","3594.7","1.7","110","2","110","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C32 H60 B Ir O4 P2 -","- C32 H60 B Ir O4 P2 -","- C128 H240 B4 Ir4 O16 P8 -","4","1","","Press, Loren P.; Kosanovich, Alex J.; McCulloch, Billy J.; Ozerov, Oleg V.","High-Turnover Aromatic C-H Borylation Catalyzed by POCOP-Type Pincer Complexes of Iridium.","Journal of the American Chemical Society","2016","138","30","9487","9497","10.1021/jacs.6b03656","","","0.71073","MoKα","","0.0352","0.0246","","","0.0502","0.0544","","","","","","1.043","","","","has coordinates","240878","2020-10-21","18:00:00",""
"4130448","18.8345","0.0007","18.8345","0.0007","18.8345","0.0007","90","","90","","90","","6681.3","0.4","100","2","100","2","","","","","","","","6","P m -3 m","-P 4 2 3","221","Co-BDTriP-DMF","","","- C140 H140 Cl3 Co14.4 N76 O14.4 -","- C104.002 H56.0016 Cl3 Co14.4 N63.9984 O14.4 -","- C104.002 H56.0016 Cl3 Co14.4 N63.9984 O14.4 -","1","0.0208333","","Xiao, Dianne J.; Gonzalez, Miguel I.; Darago, Lucy E.; Vogiatzis, Konstantinos D.; Haldoupis, Emmanuel; Gagliardi, Laura; Long, Jeffrey R.","Selective, Tunable O2 Binding in Cobalt(II)-Triazolate/Pyrazolate Metal-Organic Frameworks.","Journal of the American Chemical Society","2016","138","22","7161","7170","10.1021/jacs.6b03680","","","0.7749","synchrotron","","0.0503","0.0462","","","0.1537","0.159","","","","","","1.114","","","","has coordinates,has disorder","240879","2020-10-21","18:00:00",""
"4130449","18.7059","0.0004","18.7059","0.0004","18.7059","0.0004","90","","90","","90","","6545.4","0.2","100","2","100","2","","","","","","","","6","P m -3 m","-P 4 2 3","221","Co-BDTriP-MeOH","","","- C100 H76 Cl3 Co13.5 N80 O12 -","- C99.984 H75.984 Cl3 Co12 N80.016 O12 -","- C99.984 H75.984 Cl3 Co12 N80.016 O12 -","1","0.0208333","","Xiao, Dianne J.; Gonzalez, Miguel I.; Darago, Lucy E.; Vogiatzis, Konstantinos D.; Haldoupis, Emmanuel; Gagliardi, Laura; Long, Jeffrey R.","Selective, Tunable O2 Binding in Cobalt(II)-Triazolate/Pyrazolate Metal-Organic Frameworks.","Journal of the American Chemical Society","2016","138","22","7161","7170","10.1021/jacs.6b03680","","","0.71073","MoKα","","0.065","0.0593","","","0.169","0.1761","","","","","","1.078","","","","has coordinates,has disorder","240879","2020-10-21","18:00:00",""
"4130450","18.6522","0.0005","18.6522","0.0005","18.6522","0.0005","90","","90","","90","","6489.2","0.3","100","2","100","2","","","","","","","","6","P m -3 m","-P 4 2 3","221","Co-BDTriP","","","- C109.02 H71.02 Cl3 Co13.44 N63.98 O5.04 -","- C104.016 H56.016 Cl3 Co13.44 N63.984 O5.04 -","- C104.016 H56.016 Cl3 Co13.44 N63.984 O5.04 -","1","0.0208333","","Xiao, Dianne J.; Gonzalez, Miguel I.; Darago, Lucy E.; Vogiatzis, Konstantinos D.; Haldoupis, Emmanuel; Gagliardi, Laura; Long, Jeffrey R.","Selective, Tunable O2 Binding in Cobalt(II)-Triazolate/Pyrazolate Metal-Organic Frameworks.","Journal of the American Chemical Society","2016","138","22","7161","7170","10.1021/jacs.6b03680","","","0.71073","MoKα","","0.061","0.0463","","","0.1099","0.1233","","","","","","1.118","","","","has coordinates,has disorder","240879","2020-10-21","18:00:00",""
"4130451","18.6011","0.0007","18.6011","0.0007","18.6011","0.0007","90","","90","","90","","6436","0.4","100","2","100","2","","","","","","","","6","P m -3 m","-P 4 2 3","221","Co-BDTriP-O2","","","- C87.98 H39.98 Cl3 Co13.5 N80.02 O23.62 -","- C87.984 H39.984 Cl3 Co12.912 N80.016 O23.616 -","- C87.984 H39.984 Cl3 Co12.912 N80.016 O23.616 -","1","0.0208333","","Xiao, Dianne J.; Gonzalez, Miguel I.; Darago, Lucy E.; Vogiatzis, Konstantinos D.; Haldoupis, Emmanuel; Gagliardi, Laura; Long, Jeffrey R.","Selective, Tunable O2 Binding in Cobalt(II)-Triazolate/Pyrazolate Metal-Organic Frameworks.","Journal of the American Chemical Society","2016","138","22","7161","7170","10.1021/jacs.6b03680","","","0.71073","MoKα","","0.0701","0.0619","","","0.183","0.1918","","","","","","1.159","","","","has coordinates,has disorder","240879","2020-10-21","18:00:00",""
"4130452","37.4139","0.0016","37.4139","0.0016","37.4139","0.0016","90","","90","","90","","52372","4","100","2","100","2","","","","","","","","6","F m -3 c","-F 4a 2 3","226","Co-BTTri-DMF 100 K","","","- C264 H264 Cl6 Co24 N168 O24 -","- C216 H96 Cl6 Co24 N168 O24 -","- C864 H384 Cl24 Co96 N672 O96 -","4","0.0208333","","Xiao, Dianne J.; Gonzalez, Miguel I.; Darago, Lucy E.; Vogiatzis, Konstantinos D.; Haldoupis, Emmanuel; Gagliardi, Laura; Long, Jeffrey R.","Selective, Tunable O2 Binding in Cobalt(II)-Triazolate/Pyrazolate Metal-Organic Frameworks.","Journal of the American Chemical Society","2016","138","22","7161","7170","10.1021/jacs.6b03680","","","0.7749","synchrotron","","0.0768","0.0671","","","0.1996","0.2164","","","","","","1.071","","","","has coordinates,has disorder","240880","2020-10-21","18:00:00",""
"4130453","37.7048","0.0013","37.7048","0.0013","37.7048","0.0013","90","","90","","90","","53603","3","298","2","298","2","","","","","","","","6","F m -3 c","-F 4a 2 3","226","Co-BTTri-DMF 298 K","","","- C264 H264 Cl6 Co24 N168 O24 -","- C216 H96 Cl6 Co24 N168 O24 -","- C864 H384 Cl24 Co96 N672 O96 -","4","0.0208333","","Xiao, Dianne J.; Gonzalez, Miguel I.; Darago, Lucy E.; Vogiatzis, Konstantinos D.; Haldoupis, Emmanuel; Gagliardi, Laura; Long, Jeffrey R.","Selective, Tunable O2 Binding in Cobalt(II)-Triazolate/Pyrazolate Metal-Organic Frameworks.","Journal of the American Chemical Society","2016","138","22","7161","7170","10.1021/jacs.6b03680","","","0.7749","synchrotron","","0.0535","0.0481","","","0.1432","0.1506","","","","","","1.104","","","","has coordinates,has disorder","240880","2020-10-21","18:00:00",""
"4130454","18.794","0.0007","18.794","0.0007","18.794","0.0007","90","","90","","90","","6638.3","0.4","100","2","100","2","","","","","","","","6","P m -3 m","-P 4 2 3","221","Co-BTTri-MeOH","","","- C108 H84 Cl3 Co13.5 N72 O12 -","- C108 H84 Cl3 Co12 N72 O12 -","- C108 H84 Cl3 Co12 N72 O12 -","1","0.0208333","","Xiao, Dianne J.; Gonzalez, Miguel I.; Darago, Lucy E.; Vogiatzis, Konstantinos D.; Haldoupis, Emmanuel; Gagliardi, Laura; Long, Jeffrey R.","Selective, Tunable O2 Binding in Cobalt(II)-Triazolate/Pyrazolate Metal-Organic Frameworks.","Journal of the American Chemical Society","2016","138","22","7161","7170","10.1021/jacs.6b03680","","","0.8856","synchrotron","","0.0706","0.0638","","","0.1891","0.1996","","","","","","1.074","","","","has coordinates,has disorder","240880","2020-10-21","18:00:00",""
"4130455","37.0668","0.001","37.0668","0.001","37.0668","0.001","90","","90","","90","","50928","2","100","2","100","2","","","","","","","","6","F m -3 c","-F 4a 2 3","226","Co-BTTri","","","- C201 H123 Cl6 Co27.26 N144 O9 -","- C192 H96 Cl6 Co27.264 N144 O9 -","- C768 H384 Cl24 Co109.056 N576 O36 -","4","0.0208333","","Xiao, Dianne J.; Gonzalez, Miguel I.; Darago, Lucy E.; Vogiatzis, Konstantinos D.; Haldoupis, Emmanuel; Gagliardi, Laura; Long, Jeffrey R.","Selective, Tunable O2 Binding in Cobalt(II)-Triazolate/Pyrazolate Metal-Organic Frameworks.","Journal of the American Chemical Society","2016","138","22","7161","7170","10.1021/jacs.6b03680","","","0.7749","synchrotron","","0.0418","0.0355","","","0.0966","0.1003","","","","","","1.082","","","","has coordinates,has disorder","240880","2020-10-21","18:00:00",""
"4130456","37.0728","0.0012","37.0728","0.0012","37.0728","0.0012","90","","90","","90","","50953","3","100","2","100","","","","","","","","","6","F m -3 c","-F 4a 2 3","226","Co-BTTri-O2","","","- C192 H96 Cl6 Co27 N144 O48 -","- C192 H96 Cl6 Co24 N144 O48 -","- C768 H384 Cl24 Co96 N576 O192 -","4","0.0208333","","Xiao, Dianne J.; Gonzalez, Miguel I.; Darago, Lucy E.; Vogiatzis, Konstantinos D.; Haldoupis, Emmanuel; Gagliardi, Laura; Long, Jeffrey R.","Selective, Tunable O2 Binding in Cobalt(II)-Triazolate/Pyrazolate Metal-Organic Frameworks.","Journal of the American Chemical Society","2016","138","22","7161","7170","10.1021/jacs.6b03680","","","0.7749","synchrotron","","0.0627","0.0557","","","0.157","0.1649","","","","","","1.088","","","","has coordinates,has disorder","240880","2020-10-21","18:00:00",""
"4130457","38.554","0.004","38.554","0.004","38.554","0.004","90","","90","","90","","57307","10","100","","100","","","","","","","","","4","F m -3 m","-F 4 2 3","225","","TPHN-MgMe","","- C0.99 H0.61 O0.2 Zr0.04 -","- C0.987342 H0.455696 O0.202532 Zr0.0379747 -","- C624 H288 O128 Zr24 -","632","3.29167","","Manna, Kuntal; Ji, Pengfei; Greene, Francis X.; Lin, Wenbin","Metal-Organic Framework Nodes Support Single-Site Magnesium-Alkyl Catalysts for Hydroboration and Hydroamination Reactions.","Journal of the American Chemical Society","2016","138","24","7488","7491","10.1021/jacs.6b03689","","","0.41328","","","0.15","0.1132","","","0.3252","0.3402","","","","","","1.258","","","","has coordinates","240881","2020-10-21","18:00:00",""
"4130458","8.0747","0.0006","16.5382","0.0011","10.1107","0.0007","90","","102.931","0.007","90","","1315.95","0.16","123","","123","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C30 H44 N2 -","- C30 H44 N2 -","- C60 H88 N4 -","2","0.5","","Sasaki, Shunsuke; Suzuki, Satoshi; Sameera, W. M. C.; Igawa, Kazunobu; Morokuma, Keiji; Konishi, Gen-Ichi","Highly Twisted N,N-Dialkylamines as a Design Strategy to Tune Simple Aromatic Hydrocarbons as Steric Environment-Sensitive Fluorophores.","Journal of the American Chemical Society","2016","138","26","8194","8206","10.1021/jacs.6b03749","","","1.54187","CuKα","","0.0688","0.0517","","","0.1254","0.1458","","","","","","1","","","","has coordinates","240882","2020-10-21","18:00:00",""
"4130459","9.165","0.009","8.39","0.007","10.289","0.01","90","","114.241","0.012","90","","721.4","1.2","123","","123","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C18 H20 N2 -","- C18 H20 N2 -","- C36 H40 N4 -","2","0.5","","Sasaki, Shunsuke; Suzuki, Satoshi; Sameera, W. M. C.; Igawa, Kazunobu; Morokuma, Keiji; Konishi, Gen-Ichi","Highly Twisted N,N-Dialkylamines as a Design Strategy to Tune Simple Aromatic Hydrocarbons as Steric Environment-Sensitive Fluorophores.","Journal of the American Chemical Society","2016","138","26","8194","8206","10.1021/jacs.6b03749","","","0.71075","MoKα","","","0.0615","","","","0.189","","","","","","1","","","","has coordinates","240883","2020-10-21","18:00:00",""
"4130460","10.6665","0.0003","8.8035","0.0003","11.6426","0.0004","90","","98.268","0.007","90","","1081.91","0.06","123","","123","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C26 H36 N2 -","- C26 H36 N2 -","- C52 H72 N4 -","2","0.5","","Sasaki, Shunsuke; Suzuki, Satoshi; Sameera, W. M. C.; Igawa, Kazunobu; Morokuma, Keiji; Konishi, Gen-Ichi","Highly Twisted N,N-Dialkylamines as a Design Strategy to Tune Simple Aromatic Hydrocarbons as Steric Environment-Sensitive Fluorophores.","Journal of the American Chemical Society","2016","138","26","8194","8206","10.1021/jacs.6b03749","","","1.54187","CuKα","","0.0654","0.0537","","","0.1474","0.1557","","","","","","1","","","","has coordinates","240884","2020-10-21","18:00:00",""
"4130461","7.388","0.002","7.625","0.002","9.047","0.003","101.595","0.006","103.106","0.005","99.662","0.004","473.9","0.2","123","","123","","","","","","","","","3","P -1","-P 1","2","","","","- C24 H28 N2 -","- C24 H28 N2 -","- C24 H28 N2 -","1","0.5","","Sasaki, Shunsuke; Suzuki, Satoshi; Sameera, W. M. C.; Igawa, Kazunobu; Morokuma, Keiji; Konishi, Gen-Ichi","Highly Twisted N,N-Dialkylamines as a Design Strategy to Tune Simple Aromatic Hydrocarbons as Steric Environment-Sensitive Fluorophores.","Journal of the American Chemical Society","2016","138","26","8194","8206","10.1021/jacs.6b03749","","","0.71075","MoKα","","","0.0802","","","","0.2243","","","","","","1.054","","","","has coordinates","240885","2020-10-21","18:00:00",""
"4130462","7.5541","0.0013","7.9377","0.0015","9.1231","0.0015","102.214","0.013","102.818","0.012","96.828","0.013","513.38","0.16","123","","123","","","","","","","","","3","P -1","-P 1","2","","","","- C26 H32 N2 -","- C26 H32 N2 -","- C26 H32 N2 -","1","0.5","","Sasaki, Shunsuke; Suzuki, Satoshi; Sameera, W. M. C.; Igawa, Kazunobu; Morokuma, Keiji; Konishi, Gen-Ichi","Highly Twisted N,N-Dialkylamines as a Design Strategy to Tune Simple Aromatic Hydrocarbons as Steric Environment-Sensitive Fluorophores.","Journal of the American Chemical Society","2016","138","26","8194","8206","10.1021/jacs.6b03749","","","1.54187","CuKα","","","0.0471","","","","0.1412","","","","","","1.002","","","","has coordinates","240886","2020-10-21","18:00:00",""
"4130463","38.445","0.004","13.0221","0.0014","13.658","0.0015","90","","90","","90","","6837.7","1.3","100","0.5","100","0.5","","","","","","","","7","P 21 21 2","P 2 2ab","18","neism18h","","","- C52 H116 Br0.25 Cl1.75 Fe8 Mg1.5 O10 -","- C52 H80 Br0.249 Cl1.751 Fe8 Mg1.5 O10 -","- C208 H320 Br0.996 Cl7.004 Fe32 Mg6 O40 -","4","1","","Muñoz Iii, Salvador B; Daifuku, Stephanie L.; Brennessel, William W.; Neidig, Michael L.","Isolation, Characterization, and Reactivity of Fe8Me12(-): Kochi's S = 1/2 Species in Iron-Catalyzed Cross-Couplings with MeMgBr and Ferric Salts.","Journal of the American Chemical Society","2016","138","24","7492","7495","10.1021/jacs.6b03760","","","0.71073","MoKα","","0.0715","0.0551","","","0.1451","0.156","","","","","","1.028","","","","has coordinates,has disorder","240887","2020-10-21","18:00:00",""
"4130464","10.1461","0.0008","13.3816","0.0011","18.3452","0.0014","95.62","0.003","94.475","0.003","104.537","0.003","2385.8","0.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C41.26 H55.51 Cl8.51 N4 P Ru -","- C41.253 H55.506 Cl8.506 N4 P Ru -","- C82.506 H111.012 Cl17.012 N8 P2 Ru2 -","2","1","","Lee, Juneyoung; Grandner, Jessica M.; Engle, Keary M.; Houk, K. N.; Grubbs, Robert H.","In Situ Catalyst Modification in Atom Transfer Radical Reactions with Ruthenium Benzylidene Complexes.","Journal of the American Chemical Society","2016","138","22","7171","7177","10.1021/jacs.6b03767","","","0.71073","MoKα","","0.0807","0.0597","","","0.1609","0.1749","","","","","","1.047","","","","has coordinates,has disorder","240888","2020-10-21","18:00:00",""
"4130465","9.7563","0.0013","12.9792","0.0017","17.373","0.002","87.744","0.002","73.849","0.002","81.576","0.002","2090.3","0.5","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C4 H7 N9 O8 -","- C4 H7 N9 O8 -","- C32 H56 N72 O64 -","8","4","","Zhang, Jiaheng; Dharavath, Srinivas; Mitchell, Lauren A.; Parrish, Damon A.; Shreeve, Jean'ne M.","Energetic Salts Based on 3,5-Bis(dinitromethyl)-1,2,4-triazole Monoanion and Dianion: Controllable Preparation, Characterization, and High Performance.","Journal of the American Chemical Society","2016","138","24","7500","7503","10.1021/jacs.6b03819","","","0.71073","MoKα","","0.1033","0.0496","","","0.1032","0.1252","","","","","","1.013","","","","has coordinates","240889","2020-10-21","18:00:00",""
"4130466","19.255","0.003","8.1379","0.0013","7.8604","0.0013","90","","90","","90","","1231.7","0.3","150","2","150","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C4 H11 N9 O9 -","- C4 H11 N9 O9 -","- C16 H44 N36 O36 -","4","1","","Zhang, Jiaheng; Dharavath, Srinivas; Mitchell, Lauren A.; Parrish, Damon A.; Shreeve, Jean'ne M.","Energetic Salts Based on 3,5-Bis(dinitromethyl)-1,2,4-triazole Monoanion and Dianion: Controllable Preparation, Characterization, and High Performance.","Journal of the American Chemical Society","2016","138","24","7500","7503","10.1021/jacs.6b03819","","","0.71073","MoKα","","0.0271","0.0256","","","0.074","0.0769","","","","","","1.106","","","","has coordinates","240890","2020-10-21","18:00:00",""
"4130467","4.7794","0.0009","16.946","0.003","12.51","0.002","90","","99.82","0.003","90","","998.4","0.3","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C4 H6 N8 O8 -","- C4 H6 N8 O8 -","- C16 H24 N32 O32 -","4","1","","Zhang, Jiaheng; Dharavath, Srinivas; Mitchell, Lauren A.; Parrish, Damon A.; Shreeve, Jean'ne M.","Energetic Salts Based on 3,5-Bis(dinitromethyl)-1,2,4-triazole Monoanion and Dianion: Controllable Preparation, Characterization, and High Performance.","Journal of the American Chemical Society","2016","138","24","7500","7503","10.1021/jacs.6b03819","","","0.71073","MoKα","","0.157","0.0619","","","0.1019","0.1305","","","","","","1.003","","","","has coordinates","240891","2020-10-21","18:00:00",""
"4130468","16.0535","0.0008","23.8893","0.0011","17.5951","0.0008","90","","103.224","0.0013","90","","6568.9","0.5","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C133 H98 Au6 Cl6 P6 S -","- C133 H98 Au6 Cl6 P6 S -","- C266 H196 Au12 Cl12 P12 S2 -","2","1","","Yao, Liao-Yuan; Lee, Terence Kwok-Ming; Yam, Vivian Wing-Wah","Thermodynamic-Driven Self-Assembly: Heterochiral Self-Sorting and Structural Reconfiguration in Gold(I)-Sulfido Cluster System.","Journal of the American Chemical Society","2016","138","23","7260","7263","10.1021/jacs.6b03844","","","0.71073","MoKα","","0.0285","0.0247","","","0.054","0.0552","","","","","","1.115","","","","has coordinates,has disorder","240892","2020-10-21","18:00:00",""
"4130469","23.5737","0.0013","23.5737","0.0013","29.204","0.0017","90","","90","","90","","16229.2","1.6","100","2","100","2","","","","","","","","6","P -4 21 c","P -4 2n","114","","","","- C176 H128 Au10 Cl2 P8 S4 -","- C176 H128 Au10 Cl2 P8 S4 -","- C704 H512 Au40 Cl8 P32 S16 -","4","0.5","","Yao, Liao-Yuan; Lee, Terence Kwok-Ming; Yam, Vivian Wing-Wah","Thermodynamic-Driven Self-Assembly: Heterochiral Self-Sorting and Structural Reconfiguration in Gold(I)-Sulfido Cluster System.","Journal of the American Chemical Society","2016","138","23","7260","7263","10.1021/jacs.6b03844","","","0.71073","MoKα","","0.0776","0.0638","","","0.1584","0.1724","","","","","","1.103","","","","has coordinates","240893","2020-10-21","18:00:00",""
"4130470","16.599","0.006","21.904","0.008","24.856","0.01","90","","96.827","0.007","90","","8973","6","120","2","120","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C177 H130 Au10 Cl4 P8 S4 -","- C177 H130 Au10 Cl4 P8 S4 -","- C354 H260 Au20 Cl8 P16 S8 -","2","1","","Yao, Liao-Yuan; Lee, Terence Kwok-Ming; Yam, Vivian Wing-Wah","Thermodynamic-Driven Self-Assembly: Heterochiral Self-Sorting and Structural Reconfiguration in Gold(I)-Sulfido Cluster System.","Journal of the American Chemical Society","2016","138","23","7260","7263","10.1021/jacs.6b03844","","","0.71073","MoKα","","0.1209","0.1074","","","0.2552","0.2646","","","","","","1.022","","","","has coordinates,has disorder","240894","2020-10-21","18:00:00",""
"4130471","16.0034","0.0011","23.9493","0.0016","17.4176","0.0012","90","","103.649","0.002","90","","6487.1","0.8","100","2","100","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C134 H102 Au6 Cl6 O P6 S -","- C134 H102 Au6 Cl6 O P6 S -","- C268 H204 Au12 Cl12 O2 P12 S2 -","2","1","","Yao, Liao-Yuan; Lee, Terence Kwok-Ming; Yam, Vivian Wing-Wah","Thermodynamic-Driven Self-Assembly: Heterochiral Self-Sorting and Structural Reconfiguration in Gold(I)-Sulfido Cluster System.","Journal of the American Chemical Society","2016","138","23","7260","7263","10.1021/jacs.6b03844","","","0.71073","MoKα","","0.0369","0.0298","","","0.0585","0.0603","","","","","","1.038","","","","has coordinates","240895","2020-10-21","18:00:00",""
"4130472","16.694","0.003","21.993","0.004","24.942","0.005","90","","96.59","0.03","90","","9097","3","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C177 H130 Au10 Cl4 P8 S4 -","- C177 H130 Au10 Cl4 P8 S4 -","- C354 H260 Au20 Cl8 P16 S8 -","2","1","","Yao, Liao-Yuan; Lee, Terence Kwok-Ming; Yam, Vivian Wing-Wah","Thermodynamic-Driven Self-Assembly: Heterochiral Self-Sorting and Structural Reconfiguration in Gold(I)-Sulfido Cluster System.","Journal of the American Chemical Society","2016","138","23","7260","7263","10.1021/jacs.6b03844","","","0.71073","MoKα","","0.1004","0.0909","","","0.2055","0.2107","","","","","","1.035","","","","has coordinates","240896","2020-10-21","18:00:00",""
"4130473","40.9008","0.0015","40.9008","0.0015","40.9008","0.0015","90","","90","","90","","68422","4","100","2","100","2","","","","","","","","8","F 4 3 2","F 4 2 3","209","","","","- C328 H234 F48 Mo12 N48 O105 S16 Zn8 -","- C312 H216 Mo12 N48 O57 Zn8 -","- C1248 H864 Mo48 N192 O228 Zn32 -","4","0.0416667","","Ramsay, William J.; Rizzuto, Felix J.; Ronson, Tanya K.; Caprice, Kenji; Nitschke, Jonathan R.","Subtle Ligand Modification Inverts Guest Binding Hierarchy in M(II)8L6 Supramolecular Cubes.","Journal of the American Chemical Society","2016","138","23","7264","7267","10.1021/jacs.6b03858","","","0.6889","synchrotron","","0.1586","0.1358","","","0.3741","0.3893","","","","","","1.338","","","","has coordinates","240897","2020-10-21","18:00:00",""
"4130474","28.1822","0.0015","28.6098","0.0015","38.033","0.002","72.136","0.003","72.82","0.002","66.502","0.002","26235","2","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C384 H286 F72 Fe8 Mo12 N75 O100.5 S32 -","- C381.05 H270.35 F62.9 Fe8 Mo12 N74.9999 O91.65 S13.3 -","- C762.1 H540.699 F125.8 Fe16 Mo24 N150 O183.3 S26.6 -","2","1","","Ramsay, William J.; Rizzuto, Felix J.; Ronson, Tanya K.; Caprice, Kenji; Nitschke, Jonathan R.","Subtle Ligand Modification Inverts Guest Binding Hierarchy in M(II)8L6 Supramolecular Cubes.","Journal of the American Chemical Society","2016","138","23","7264","7267","10.1021/jacs.6b03858","","","0.6889","synchrotron","","0.1243","0.0958","","","0.2894","0.3219","","","","","","1.239","","","","has coordinates,has disorder","240898","2020-10-21","18:00:00",""
"4130475","5.1684","0.0001","17.27","0.0004","36.9053","0.0008","90","","90","","90","","3294.1","0.12","100","2","100","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C19 H30 O2 -","- C19 H30 O2 -","- C152 H240 O16 -","8","2","","Lu, Hai-Hua; Pronin, Sergey V.; Antonova-Koch, Yevgeniya; Meister, Stephan; Winzeler, Elizabeth A.; Shenvi, Ryan A.","Synthesis of (+)-7,20-Diisocyanoadociane and Liver-Stage Antiplasmodial Activity of the Isocyanoterpene Class.","Journal of the American Chemical Society","2016","138","23","7268","7271","10.1021/jacs.6b03899","","x-ray","1.54178","CuKα","","0.0334","0.0323","","","0.0884","0.0892","","","","","","1.051","","","","has coordinates","240899","2020-10-21","18:00:00",""
"4130476","13.7509","0.0013","13.7509","0.0013","10.8608","0.0014","90","","90","","120","","1778.5","0.3","293","2","293","2","","","","","","","","5","P 32","P 32","145","","","","- C24 H28 N2 O4 S -","- C24 H28 N2 O4 S -","- C72 H84 N6 O12 S3 -","3","1","","Liu, Yong Ethan; Lu, Zhaole; Li, Bo; Tian, Jiaxin; Liu, Feng; Zhao, Junyu; Hou, Chengkang; Li, Yingkun; Niu, Lili; Zhao, Baoguo","Enzyme-Inspired Axially Chiral Pyridoxamines Armed with a Cooperative Lateral Amine Chain for Enantioselective Biomimetic Transamination.","Journal of the American Chemical Society","2016","138","34","10730","10733","10.1021/jacs.6b03930","","","0.71073","MoKα","","0.0688","0.0539","","","0.1231","0.1318","","","","","","1.043","","","","has coordinates","240900","2020-10-21","18:00:00",""
"4130477","12.3918","0.0006","23.9814","0.0012","18.4258","0.0009","90","","95.529","0.001","90","","5450.2","0.5","183","2","183","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C107 La2 S6 -","- C107 La2 S6 -","- C428 La8 S24 -","4","1","","Cai, Wenting; Li, Fang-Fang; Bao, Lipiao; Xie, Yunpeng; Lu, Xing","Isolation and Crystallographic Characterization of La2C2@Cs(574)-C102 and La2C2@C2(816)-C104: Evidence for the Top-Down Formation Mechanism of Fullerenes.","Journal of the American Chemical Society","2016","138","20","6670","6675","10.1021/jacs.6b03934","","","0.71073","MoKα","","0.1576","0.1323","","","0.3895","0.4123","","","","","","3.3","","","","has coordinates,has disorder","240901","2020-10-21","18:00:00",""
"4130478","24.2162","0.0009","18.0709","0.0007","12.735","0.0005","90","","90","","90","","5572.9","0.4","183","2","183","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C109 H0 La2 N0 Ni0 S6 -","- C109 La2 S6 -","- C436 La8 S24 -","4","0.5","","Cai, Wenting; Li, Fang-Fang; Bao, Lipiao; Xie, Yunpeng; Lu, Xing","Isolation and Crystallographic Characterization of La2C2@Cs(574)-C102 and La2C2@C2(816)-C104: Evidence for the Top-Down Formation Mechanism of Fullerenes.","Journal of the American Chemical Society","2016","138","20","6670","6675","10.1021/jacs.6b03934","","","0.71073","MoKα","","0.1061","0.0794","","","0.2521","0.2801","","","","","","1.156","","","","has coordinates,has disorder","240902","2020-10-21","18:00:00",""
"4130479","40.5861","0.0007","9.6009","0.0002","18.7564","0.0013","90","","100.373","0.007","90","","7189.2","0.6","85","2","85","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C44 H35 B N5 O2 P Ru -","- C44 H35 B N5 O2 P Ru -","- C352 H280 B8 N40 O16 P8 Ru8 -","8","1","","Tseng, Kuei-Nin T; Kampf, Jeff W.; Szymczak, Nathaniel K.","Modular Attachment of Appended Boron Lewis Acids to a Ruthenium Pincer Catalyst: Metal-Ligand Cooperativity Enables Selective Alkyne Hydrogenation.","Journal of the American Chemical Society","2016","138","33","10378","10381","10.1021/jacs.6b03972","","","1.54178","CuKα","","0.0544","0.052","","","0.1503","0.1538","","","","","","1.127","","","","has coordinates","240903","2020-10-21","18:00:00",""
"4130480","20.8335","0.0003","12.5143","0.0001","39.2291","0.0006","90","","90","","90","","10227.7","0.2","85","2","85","2","","","","","","","","7","P c a 21","P 2c -2ac","29","","","","- C59 H61 B2 N5 O4 P Ru -","- C59 H61 B2 N5 O4 P Ru -","- C472 H488 B16 N40 O32 P8 Ru8 -","8","2","","Tseng, Kuei-Nin T; Kampf, Jeff W.; Szymczak, Nathaniel K.","Modular Attachment of Appended Boron Lewis Acids to a Ruthenium Pincer Catalyst: Metal-Ligand Cooperativity Enables Selective Alkyne Hydrogenation.","Journal of the American Chemical Society","2016","138","33","10378","10381","10.1021/jacs.6b03972","","","1.54178","CuKα","","0.0739","0.0697","","","0.1875","0.1906","","","","","","1.044","","","","has coordinates","252331","2020-10-21","18:00:00",""
"4130481","18.234","0.0013","12.0654","0.0002","18.1135","0.0013","90","","90.69","0.006","90","","3984.7","0.4","85","2","85","2","","","","","","","","6","P 1 2/c 1","-P 2yc","13","","","","- C49 H46 B N5 P Ru -","- C49 H46 B N5 P Ru -","- C196 H184 B4 N20 P4 Ru4 -","4","1","","Tseng, Kuei-Nin T; Kampf, Jeff W.; Szymczak, Nathaniel K.","Modular Attachment of Appended Boron Lewis Acids to a Ruthenium Pincer Catalyst: Metal-Ligand Cooperativity Enables Selective Alkyne Hydrogenation.","Journal of the American Chemical Society","2016","138","33","10378","10381","10.1021/jacs.6b03972","","","1.54178","CuKα","","0.0388","0.0387","","","0.1035","0.1036","","","","","","1.059","","","","has coordinates","240903","2020-10-21","18:00:00",""
"4130482","11.564","0.003","12.7724","0.0002","27.0595","0.0019","90","","101.252","0.011","90","","3919.9","1.1","85","2","85","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C47 H45 B N5 O P Ru -","- C47 H45 B N5 O P Ru -","- C188 H180 B4 N20 O4 P4 Ru4 -","4","1","","Tseng, Kuei-Nin T; Kampf, Jeff W.; Szymczak, Nathaniel K.","Modular Attachment of Appended Boron Lewis Acids to a Ruthenium Pincer Catalyst: Metal-Ligand Cooperativity Enables Selective Alkyne Hydrogenation.","Journal of the American Chemical Society","2016","138","33","10378","10381","10.1021/jacs.6b03972","","","1.54178","CuKα","","0.0554","0.0516","","","0.1452","0.1481","","","","","","1.153","","","","has coordinates","240903","2020-10-21","18:00:00",""
"4130483","26.3946","0.0014","11.3169","0.0006","21.4863","0.0012","90","","115.327","0.001","90","","5801.2","0.5","102","2","102","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C32 H38 O2 Si2 -","- C32 H38 O2 Si2 -","- C256 H304 O16 Si16 -","8","1","","Hua, Yuanda; Asgari, Parham; Avullala, Thirupataiah; Jeon, Junha","Catalytic Reductive ortho-C-H Silylation of Phenols with Traceless, Versatile Acetal Directing Groups and Synthetic Applications of Dioxasilines.","Journal of the American Chemical Society","2016","138","25","7982","7991","10.1021/jacs.6b04018","","","0.71073","MoKα","","0.0517","0.0433","","","0.1609","0.1751","","","","","","1.037","","","","has coordinates","240904","2020-10-21","18:00:00",""
"4130484","20.9653","0.0006","15.2285","0.0004","14.6886","0.0004","90","","90","","90","","4689.6","0.2","90","","90","","","","","","","","","4","P n m a","-P 2ac 2n","62","Ce@C82-CH2(C6H3Me2)-1d/CS2","","","- C92 H11 Ce S2 -","- C92 H11 Ce S2 -","- C368 H44 Ce4 S8 -","4","0.5","","Takano, Yuta; Tashita, Ryo; Suzuki, Mitsuaki; Nagase, Shigeru; Imahori, Hiroshi; Akasaka, Takeshi","Molecular Location Sensing Approach by Anisotropic Magnetism of an Endohedral Metallofullerene.","Journal of the American Chemical Society","2016","138","25","8000","8006","10.1021/jacs.6b04037","","","0.71073","MoKα","","0.1113","0.0986","","","0.266","0.2772","","","","","","1.097","","","","has coordinates,has disorder","240905","2020-10-21","18:00:00",""
"4130485","14.9929","0.0003","9.6072","0.0002","24.7958","0.0005","90","","98.369","0.001","90","","3533.55","0.12","98","2","98","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","Co(14TMC)(NO3)(BPh4)","","","- C38 H52 B Co N5 O3 -","- C38 H52 B Co N5 O3 -","- C152 H208 B4 Co4 N20 O12 -","4","1","","Kumar, Pankaj; Lee, Yong-Min; Hu, Lianrui; Chen, Jianwei; Park, Young Jun; Yao, Jiannian; Chen, Hui; Karlin, Kenneth D.; Nam, Wonwoo","Factors That Control the Reactivity of Cobalt(III)-Nitrosyl Complexes in Nitric Oxide Transfer and Dioxygenation Reactions: A Combined Experimental and Theoretical Investigation.","Journal of the American Chemical Society","2016","138","24","7753","7762","10.1021/jacs.6b04040","","","0.71073","MoKα","","0.0333","0.0295","","","0.0722","0.0741","","","","","","1.048","","","","has coordinates","240906","2020-10-21","18:00:00",""
"4130486","11.4134","0.0015","20.663","0.003","15.422","0.002","90","","102.95","0.008","90","","3544.5","0.8","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C39 H34 B F10 O2 P -","- C39 H34 B F10 O2 P -","- C156 H136 B4 F40 O8 P4 -","4","1","","Chen, Guo-Qiang; Kehr, Gerald; Mück-Lichtenfeld, Christian; Daniliuc, Constantin G.; Erker, Gerhard","Phospha-Claisen Type Reactions at Frustrated Lewis Pair Frameworks.","Journal of the American Chemical Society","2016","138","27","8554","8559","10.1021/jacs.6b04046","","","1.54178","CuKα","","0.0865","0.0524","","","0.1228","0.1391","","","","","","1.065","","","","has coordinates","240907","2020-10-21","18:00:00",""
"4130487","11.365","0.0005","14.8236","0.0007","16.1305","0.0007","65.606","0.002","70.053","0.002","77.352","0.002","2316.74","0.19","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C41 H36 B F10 O4 P -","- C41 H36 B F10 O4 P -","- C82 H72 B2 F20 O8 P2 -","2","1","","Chen, Guo-Qiang; Kehr, Gerald; Mück-Lichtenfeld, Christian; Daniliuc, Constantin G.; Erker, Gerhard","Phospha-Claisen Type Reactions at Frustrated Lewis Pair Frameworks.","Journal of the American Chemical Society","2016","138","27","8554","8559","10.1021/jacs.6b04046","","","0.71073","MoKα","","0.0852","0.0572","","","0.1518","0.1648","","","","","","1.048","","","","has coordinates","240907","2020-10-21","18:00:00",""
"4130488","9.1467","0.0002","14.6625","0.0003","14.7129","0.0004","90.266","0.001","102.873","0.001","107.489","0.001","1829.24","0.08","223","2","223","2","","","","","","","","6","P -1","-P 1","2","","","","- C31 H34 B F10 O P -","- C31 H34 B F10 O P -","- C62 H68 B2 F20 O2 P2 -","2","1","","Chen, Guo-Qiang; Kehr, Gerald; Mück-Lichtenfeld, Christian; Daniliuc, Constantin G.; Erker, Gerhard","Phospha-Claisen Type Reactions at Frustrated Lewis Pair Frameworks.","Journal of the American Chemical Society","2016","138","27","8554","8559","10.1021/jacs.6b04046","","","0.71073","MoKα","","0.1153","0.0863","","","0.2207","0.2398","","","","","","1.073","","","","has coordinates","240907","2020-10-21","18:00:00",""
"4130489","12.1821","0.0002","18.7258","0.0003","14.2778","0.0002","90","","105.022","0.001","90","","3145.74","0.09","223","2","223","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C31 H32 B F10 O4 P -","- C31 H32 B F10 O4 P -","- C124 H128 B4 F40 O16 P4 -","4","1","","Chen, Guo-Qiang; Kehr, Gerald; Mück-Lichtenfeld, Christian; Daniliuc, Constantin G.; Erker, Gerhard","Phospha-Claisen Type Reactions at Frustrated Lewis Pair Frameworks.","Journal of the American Chemical Society","2016","138","27","8554","8559","10.1021/jacs.6b04046","","","0.71073","MoKα","","0.0558","0.0481","","","0.1085","0.1153","","","","","","1.039","","","","has coordinates","240907","2020-10-21","18:00:00",""
"4130490","10.3933","0.0002","11.7676","0.0002","14.8634","0.0004","104.124","0.001","101.199","0.001","111.497","0.001","1557.12","0.06","223","2","223","2","","","","","","","","6","P -1","-P 1","2","","","","- C35 H26 B F10 O P -","- C35 H26 B F10 O P -","- C70 H52 B2 F20 O2 P2 -","2","1","","Chen, Guo-Qiang; Kehr, Gerald; Mück-Lichtenfeld, Christian; Daniliuc, Constantin G.; Erker, Gerhard","Phospha-Claisen Type Reactions at Frustrated Lewis Pair Frameworks.","Journal of the American Chemical Society","2016","138","27","8554","8559","10.1021/jacs.6b04046","","","0.71073","MoKα","","0.0701","0.0579","","","0.1125","0.1217","","","","","","1.083","","","","has coordinates","240907","2020-10-21","18:00:00",""
"4130491","18.4966","0.0004","13.0377","0.0003","19.9791","0.0005","90","","90","","90","","4818.02","0.19","293","2","293","2","","","","","","","","4","C m c 21","C 2c -2","36","","octakis(trimethylstibine)tetrapalladium(0)","","- C24 H72 Pd4 Sb8 -","- C24 H72 Pd4 Sb8 -","- C96 H288 Pd16 Sb32 -","4","0.5","","Benjamin, Sophie L.; Krämer, Tobias; Levason, William; Light, Mark E.; Macgregor, Stuart A.; Reid, Gillian","[Pd4(μ3-SbMe3)4(SbMe3)4]: A Pd(0) Tetrahedron with μ3-Bridging Trimethylantimony Ligands.","Journal of the American Chemical Society","2016","138","22","6964","6967","10.1021/jacs.6b04060","","x-ray","0.71073","MoKα","","0.0268","0.0246","","","0.0466","0.0474","","","","","","1.01","","","","has coordinates,has disorder","240908","2020-10-21","18:00:00",""
"4130492","9.6504","0.0004","10.0441","0.0003","13.2924","0.0005","90","","103.761","0.004","90","","1251.44","0.08","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","bis(dimethylchlorostibine)dichloridoplalladium(II)","","- C8 H24 Cl8 Pd2 Sb4 -","- C8 H24 Cl8 Pd2 Sb4 -","- C16 H48 Cl16 Pd4 Sb8 -","2","0.5","","Benjamin, Sophie L.; Krämer, Tobias; Levason, William; Light, Mark E.; Macgregor, Stuart A.; Reid, Gillian","[Pd4(μ3-SbMe3)4(SbMe3)4]: A Pd(0) Tetrahedron with μ3-Bridging Trimethylantimony Ligands.","Journal of the American Chemical Society","2016","138","22","6964","6967","10.1021/jacs.6b04060","","x-ray","0.71073","MoKα","","0.0238","0.0181","","","0.0357","0.037","","","","","","1.033","","","","has coordinates","240909","2020-10-21","18:00:00",""
"4130493","5.5248","0.001","15.134","0.003","26.429","0.005","90","","95.927","0.008","90","","2198","0.7","100","","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","2-(Phenethylamino)-1-(pyrrolidin-1-yl)nonan-1-one","","- C21 H35 I N2 O -","- C21 H35 I N2 O -","- C84 H140 I4 N8 O4 -","4","1","","Tona, Veronica; de la Torre, Aurélien; Padmanaban, Mohan; Ruider, Stefan; González, Leticia; Maulide, Nuno","Chemo- and Stereoselective Transition-Metal-Free Amination of Amides with Azides.","Journal of the American Chemical Society","2016","138","27","8348","8351","10.1021/jacs.6b04061","","","1.54178","CuKα","","0.0687","0.0637","","","0.1567","0.1595","","","","","","1.126","","","","has coordinates,has disorder","240910","2020-10-21","18:00:00",""
"4130494","12.3584","0.001","13.1989","0.001","16.1664","0.0012","67.422","0.003","72.456","0.004","78.457","0.003","2311","0.3","130","","130","","","","","","","","","7","P -1","-P 1","2","","1-(5-Methoxy-6-phenethyl-8-oxa-6-azabicyclo[3.2.1] octan-7-ylidene)pyrrolidin-1-ium trifluoromethanesulfonate","","- C20.5 H28 Cl F3 N2 O5 S -","- C20.5 H28 Cl F3 N2 O5 S -","- C82 H112 Cl4 F12 N8 O20 S4 -","4","2","","Tona, Veronica; de la Torre, Aurélien; Padmanaban, Mohan; Ruider, Stefan; González, Leticia; Maulide, Nuno","Chemo- and Stereoselective Transition-Metal-Free Amination of Amides with Azides.","Journal of the American Chemical Society","2016","138","27","8348","8351","10.1021/jacs.6b04061","","","0.71073","MoKα","","0.0731","0.0446","","","0.1111","0.125","","","","","","1.035","","","","has coordinates","254835","2020-10-21","18:00:00",""
"4130495","12.4064","0.0006","13.3489","0.0007","20.4516","0.001","90","","90","","90","","3387","0.3","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C23 H33 Cl10 N3 O2 S -","- C23 H33 Cl10 N3 O2 S -","- C92 H132 Cl40 N12 O8 S4 -","4","1","","Lathrop, Stephen P.; Pompeo, Matthew; Chang, Wen-Tau T; Movassaghi, Mohammad","Convergent and Biomimetic Enantioselective Total Synthesis of (-)-Communesin F.","Journal of the American Chemical Society","2016","138","24","7763","7769","10.1021/jacs.6b04072","","","0.71073","MoKα","","0.0325","0.027","","","0.0594","0.0617","","","","","","1.041","","","","has coordinates","240912","2020-10-21","18:00:00",""
"4130496","14.5823","0.001","16.3674","0.0012","17.4983","0.0012","90","","90","","90","","4176.4","0.5","100","","100","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C21 H22 Br F3 N2 O -","- C21 H22 Br F3 N2 O -","- C168 H176 Br8 F24 N16 O8 -","8","2","","Lin, Jin-Shun; Dong, Xiao-Yang; Li, Tao-Tao; Jiang, Na-Chuan; Tan, Bin; Liu, Xin-Yuan","A Dual-Catalytic Strategy To Direct Asymmetric Radical Aminotrifluoromethylation of Alkenes.","Journal of the American Chemical Society","2016","138","30","9357","9360","10.1021/jacs.6b04077","","","1.54178","CuKα","","0.0221","0.022","","","0.0583","0.0585","","","","","","1.063","","","","has coordinates","240913","2020-10-21","18:00:00",""
"4130497","13.84","0.003","26.967","0.005","14.534","0.003","90","","95.3","0.03","90","","5401.2","1.9","123","2","123","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C119 H152 P4 -","- C119 H152 P4 -","- C238 H304 P8 -","2","0.5","","Tan, Gengwen; Li, Shuyu; Chen, Sheng; Sui, Yunxia; Zhao, Yue; Wang, Xinping","Isolable Diphosphorus-Centered Radical Anion and Diradical Dianion.","Journal of the American Chemical Society","2016","138","21","6735","6738","10.1021/jacs.6b04081","","","0.71073","MoKα","","0.1407","0.0935","","","0.2463","0.2787","","","","","","1.034","","","","has coordinates","240915","2020-10-21","18:00:00",""
"4130498","30.27","0.006","9.006","0.0018","17.97","0.004","90","","102.24","0.03","90","","4787.5","1.8","123","2","123","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C56 H68 P2 -","- C56 H68 P2 -","- C224 H272 P8 -","4","0.5","","Tan, Gengwen; Li, Shuyu; Chen, Sheng; Sui, Yunxia; Zhao, Yue; Wang, Xinping","Isolable Diphosphorus-Centered Radical Anion and Diradical Dianion.","Journal of the American Chemical Society","2016","138","21","6735","6738","10.1021/jacs.6b04081","","","0.71073","MoKα","","0.0912","0.0582","","","0.1262","0.1406","","","","","","1.055","","","","has coordinates","240915","2020-10-21","18:00:00",""
"4130499","13.392","0.003","17.887","0.004","15.88","0.003","90","","107.74","0.03","90","","3623.1","1.5","123","2","123","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C76 H108 K O8 P2 -","- C76 H108 K O8 P2 -","- C152 H216 K2 O16 P4 -","2","0.5","","Tan, Gengwen; Li, Shuyu; Chen, Sheng; Sui, Yunxia; Zhao, Yue; Wang, Xinping","Isolable Diphosphorus-Centered Radical Anion and Diradical Dianion.","Journal of the American Chemical Society","2016","138","21","6735","6738","10.1021/jacs.6b04081","","","0.71073","MoKα","","0.2061","0.0883","","","0.1865","0.2356","","","","","","1.013","","","","has coordinates,has disorder","240915","2020-10-21","18:00:00",""
"4130500","13.4139","0.0007","13.5562","0.0007","17.2567","0.0009","102.92","0.0015","104.846","0.0014","96.8203","0.0014","2904.4","0.3","123","2","123","2","","","","","","","","5","P -1","-P 1","2","","","","- C112 H180 K2 O20 P2 -","- C112 H180 K2 O20 P2 -","- C112 H180 K2 O20 P2 -","1","0.5","","Tan, Gengwen; Li, Shuyu; Chen, Sheng; Sui, Yunxia; Zhao, Yue; Wang, Xinping","Isolable Diphosphorus-Centered Radical Anion and Diradical Dianion.","Journal of the American Chemical Society","2016","138","21","6735","6738","10.1021/jacs.6b04081","","","0.71073","MoKα","","0.0784","0.0576","","","0.1495","0.1601","","","","","","1.092","","","","has coordinates","240915","2020-10-21","18:00:00",""
"4130501","7.5167","0.0017","11.505","0.003","26.098","0.007","90","","90","","90","","2256.9","1","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C11 H20 O2 -","- C11 H20 O2 -","- C88 H160 O16 -","8","2","","Börjesson, Marino; Moragas, Toni; Martin, Ruben","Ni-Catalyzed Carboxylation of Unactivated Alkyl Chlorides with CO2.","Journal of the American Chemical Society","2016","138","24","7504","7507","10.1021/jacs.6b04088","","","0.71073","MoKα","","0.1221","0.0964","","","0.2468","0.2614","","","","","","1.138","","","","has coordinates","240916","2020-10-21","18:00:00",""
"4130502","10.9724","0.0005","13.0726","0.0006","13.9127","0.0007","86.6707","0.0013","70.5014","0.0012","82.1667","0.0012","1863.44","0.15","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C44 H56 N4 Ni -","- C44 H56 N4 Ni -","- C88 H112 N8 Ni2 -","2","1","","Börjesson, Marino; Moragas, Toni; Martin, Ruben","Ni-Catalyzed Carboxylation of Unactivated Alkyl Chlorides with CO2.","Journal of the American Chemical Society","2016","138","24","7504","7507","10.1021/jacs.6b04088","","","0.71073","MoKα","","0.046","0.0384","","","0.1","0.1057","","","","","","1.038","","","","has coordinates,has disorder","240917","2020-10-21","18:00:00",""
"4130503","11.6943","0.0013","12.7969","0.0015","15.8831","0.0015","94.849","0.004","98.732","0.004","113.293","0.004","2130.3","0.4","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C45 H56 F3 N4 Ni O3 S -","- C45 H56 F3 N4 Ni O3 S -","- C90 H112 F6 N8 Ni2 O6 S2 -","2","1","","Börjesson, Marino; Moragas, Toni; Martin, Ruben","Ni-Catalyzed Carboxylation of Unactivated Alkyl Chlorides with CO2.","Journal of the American Chemical Society","2016","138","24","7504","7507","10.1021/jacs.6b04088","","","0.71073","MoKα","","0.1319","0.0794","","","0.1965","0.2254","","","","","","1.057","","","","has coordinates,has disorder","240918","2020-10-21","18:00:00",""
"4130504","11.91","0.002","17.013","0.003","14.078","0.002","90","","109.423","0.005","90","","2690.2","0.8","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C25 H45 B Cl N P Rh -","- C25 H45 B Cl N P Rh -","- C100 H180 B4 Cl4 N4 P4 Rh4 -","4","1","","Schäfer, Marius; Beattie, Nicholas A.; Geetharani, K.; Schäfer, Julian; Ewing, William C.; Krahfuß, Mirjam; Hörl, Christian; Dewhurst, Rian D.; Macgregor, Stuart A.; Lambert, Christoph; Braunschweig, Holger","Synthesis of Functionalized 1,4-Azaborinines by the Cyclization of Di-tert-butyliminoborane and Alkynes.","Journal of the American Chemical Society","2016","138","26","8212","8220","10.1021/jacs.6b04128","","","0.71073","MoKα","","0.0192","0.0179","","","0.0471","0.048","","","","","","1.037","","","","has coordinates","240919","2020-10-21","18:00:00",""
"4130505","5.863","0.0007","14.7829","0.0018","19.258","0.002","104.809","0.004","94.491","0.004","90.355","0.004","1608.1","0.3","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C18 H26 B N -","- C18 H26 B N -","- C72 H104 B4 N4 -","4","2","","Schäfer, Marius; Beattie, Nicholas A.; Geetharani, K.; Schäfer, Julian; Ewing, William C.; Krahfuß, Mirjam; Hörl, Christian; Dewhurst, Rian D.; Macgregor, Stuart A.; Lambert, Christoph; Braunschweig, Holger","Synthesis of Functionalized 1,4-Azaborinines by the Cyclization of Di-tert-butyliminoborane and Alkynes.","Journal of the American Chemical Society","2016","138","26","8212","8220","10.1021/jacs.6b04128","","","0.71073","MoKα","","0.0578","0.0449","","","0.118","0.1267","","","","","","1.04","","","","has coordinates","240919","2020-10-21","18:00:00",""
"4130506","9.8819","0.0005","10.5352","0.0006","10.9353","0.0006","99.896","0.002","111.336","0.002","107.565","0.002","958.78","0.09","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H30 B Fe N -","- C22 H30 B Fe N -","- C44 H60 B2 Fe2 N2 -","2","1","","Schäfer, Marius; Beattie, Nicholas A.; Geetharani, K.; Schäfer, Julian; Ewing, William C.; Krahfuß, Mirjam; Hörl, Christian; Dewhurst, Rian D.; Macgregor, Stuart A.; Lambert, Christoph; Braunschweig, Holger","Synthesis of Functionalized 1,4-Azaborinines by the Cyclization of Di-tert-butyliminoborane and Alkynes.","Journal of the American Chemical Society","2016","138","26","8212","8220","10.1021/jacs.6b04128","","","0.71073","MoKα","","0.0288","0.0257","","","0.0676","0.0698","","","","","","1.029","","","","has coordinates","240919","2020-10-21","18:00:00",""
"4130507","10.05","0.002","11.146","0.004","12.973","0.004","89.147","0.014","76.019","0.012","88.928","0.013","1409.8","0.7","103","2","103","2","","","","","","","","5","P -1","-P 1","2","","","","- C32 H39 B N2 O2 -","- C32 H39 B N2 O2 -","- C64 H78 B2 N4 O4 -","2","1","","Schäfer, Marius; Beattie, Nicholas A.; Geetharani, K.; Schäfer, Julian; Ewing, William C.; Krahfuß, Mirjam; Hörl, Christian; Dewhurst, Rian D.; Macgregor, Stuart A.; Lambert, Christoph; Braunschweig, Holger","Synthesis of Functionalized 1,4-Azaborinines by the Cyclization of Di-tert-butyliminoborane and Alkynes.","Journal of the American Chemical Society","2016","138","26","8212","8220","10.1021/jacs.6b04128","","","0.71073","MoKα","","0.0828","0.054","","","0.1218","0.1361","","","","","","1.014","","","","has coordinates","240919","2020-10-21","18:00:00",""
"4130508","12.243","0.003","16.865","0.004","14.294","0.005","90","","111.702","0.017","90","","2742.2","1.4","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C52 H90 B0 Cl2 N2 P2 Rh2 -","- C50 H90 B2 Cl2 N2 P2 Rh2 -","- C100 H180 B4 Cl4 N4 P4 Rh4 -","2","0.5","","Schäfer, Marius; Beattie, Nicholas A.; Geetharani, K.; Schäfer, Julian; Ewing, William C.; Krahfuß, Mirjam; Hörl, Christian; Dewhurst, Rian D.; Macgregor, Stuart A.; Lambert, Christoph; Braunschweig, Holger","Synthesis of Functionalized 1,4-Azaborinines by the Cyclization of Di-tert-butyliminoborane and Alkynes.","Journal of the American Chemical Society","2016","138","26","8212","8220","10.1021/jacs.6b04128","","","0.71073","MoKα","","0.0199","0.0184","","","0.0446","0.0457","","","","","","0.95","","","","has coordinates","240919","2020-10-21","18:00:00",""
"4130509","26.975","0.013","9.754","0.004","11.28","0.007","90","","114.33","0.03","90","","2704","2","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C30 H46 B2 N2 -","- C30 H46 B2 N2 -","- C120 H184 B8 N8 -","4","0.5","","Schäfer, Marius; Beattie, Nicholas A.; Geetharani, K.; Schäfer, Julian; Ewing, William C.; Krahfuß, Mirjam; Hörl, Christian; Dewhurst, Rian D.; Macgregor, Stuart A.; Lambert, Christoph; Braunschweig, Holger","Synthesis of Functionalized 1,4-Azaborinines by the Cyclization of Di-tert-butyliminoborane and Alkynes.","Journal of the American Chemical Society","2016","138","26","8212","8220","10.1021/jacs.6b04128","","","0.71073","MoKα","","0.0911","0.0499","","","0.0973","0.1135","","","","","","1.023","","","","has coordinates","240919","2020-10-21","18:00:00",""
"4130510","15.57","0.005","15.57","0.005","14.579","0.008","90","","90","","120","","3061","2","100","2","100","2","","","","","","","","5","R 3 :H","R 3","146","","","","- C42 H66 B3 N3 O0.15 -","- C42 H66 B3 N3 O0.15 -","- C126 H198 B9 N9 O0.45 -","3","0.333333","","Schäfer, Marius; Beattie, Nicholas A.; Geetharani, K.; Schäfer, Julian; Ewing, William C.; Krahfuß, Mirjam; Hörl, Christian; Dewhurst, Rian D.; Macgregor, Stuart A.; Lambert, Christoph; Braunschweig, Holger","Synthesis of Functionalized 1,4-Azaborinines by the Cyclization of Di-tert-butyliminoborane and Alkynes.","Journal of the American Chemical Society","2016","138","26","8212","8220","10.1021/jacs.6b04128","","","0.71073","MoKα","","0.0686","0.0494","","","0.1116","0.12","","","","","","1.06","","","","has coordinates,has disorder","240919","2020-10-21","18:00:00",""
"4130511","12.0529","0.001","12.0529","0.001","7.4996","0.0007","90","","90","","120","","943.52","0.14","123","","123","","","","","","","","","4","P 3 1 c","P 3 -2c","159","","","","- C21 H24 Al P -","- C21 H24 Al P -","- C42 H48 Al2 P2 -","2","0.333333","","Knaus, Maximilian G. M.; Giuman, Marco M.; Pöthig, Alexander; Rieger, Bernhard","End of Frustration: Catalytic Precision Polymerization with Highly Interacting Lewis Pairs.","Journal of the American Chemical Society","2016","138","24","7776","7781","10.1021/jacs.6b04129","","x-ray","0.71073","MoKα","","0.0434","0.0384","","","0.092","0.0949","","","","","","1.078","","","","has coordinates","240920","2020-10-21","18:00:00",""
"4130512","21.734","0.002","12.093","0.0012","14.1309","0.0014","90","","125.562","0.001","90","","3021.3","0.5","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C20 H4 F24 Na O8 Y -","- C20 H4 F24 Na O8 Y -","- C80 H16 F96 Na4 O32 Y4 -","4","0.5","","Barry, Matthew C.; Wei, Zheng; He, Tianyu; Filatov, Alexander S.; Dikarev, Evgeny V.","Volatile Single-Source Precursors for the Low-Temperature Preparation of Sodium-Rare Earth Metal Fluorides.","Journal of the American Chemical Society","2016","138","28","8883","8887","10.1021/jacs.6b04194","","","0.71073","MoKα","","0.0496","0.0342","","","0.0739","0.0795","","","","","","1.048","","","","has coordinates","240921","2020-10-21","18:00:00",""
"4130513","21.5879","0.0008","12.1464","0.0005","14.2653","0.0011","90","","125.086","0.001","90","","3060.9","0.3","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C20 H4 Eu F24 Na O8 -","- C20 H4 Eu F24 Na O8 -","- C80 H16 Eu4 F96 Na4 O32 -","4","0.5","","Barry, Matthew C.; Wei, Zheng; He, Tianyu; Filatov, Alexander S.; Dikarev, Evgeny V.","Volatile Single-Source Precursors for the Low-Temperature Preparation of Sodium-Rare Earth Metal Fluorides.","Journal of the American Chemical Society","2016","138","28","8883","8887","10.1021/jacs.6b04194","","","1.54178","CuKα","","0.0324","0.0322","","","0.0861","0.0863","","","","","","1.047","","","","has coordinates,has disorder","240921","2020-10-21","18:00:00",""
"4130514","21.789","0.002","12.0958","0.0011","14.096","0.003","90","","125.614","0.001","90","","3020.2","0.8","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C20 H4 Er F24 Na O8 -","- C20 H4 Er F24 Na O8 -","- C80 H16 Er4 F96 Na4 O32 -","4","0.5","","Barry, Matthew C.; Wei, Zheng; He, Tianyu; Filatov, Alexander S.; Dikarev, Evgeny V.","Volatile Single-Source Precursors for the Low-Temperature Preparation of Sodium-Rare Earth Metal Fluorides.","Journal of the American Chemical Society","2016","138","28","8883","8887","10.1021/jacs.6b04194","","","0.71073","MoKα","","0.019","0.0165","","","0.0386","0.0396","","","","","","1.084","","","","has coordinates","240921","2020-10-21","18:00:00",""
"4130515","5.8337","0.0004","14.6798","0.001","20.8894","0.0015","90","","90","","90","","1788.9","0.2","120","2","120","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C25 H22 O2 -","- C25 H22 O2 -","- C100 H88 O8 -","4","1","","Clarke, Christopher; Incerti-Pradillos, Celia A; Lam, Hon Wai","Enantioselective Nickel-Catalyzed anti-Carbometallative Cyclizations of Alkynyl Electrophiles Enabled by Reversible Alkenylnickel E/Z Isomerization.","Journal of the American Chemical Society","2016","138","26","8068","8071","10.1021/jacs.6b04206","","x-ray","1.54184","CuKα","","0.0342","0.033","","","0.084","0.0846","","","","","","1.11","","","","has coordinates","240922","2020-10-21","18:00:00",""
"4130516","6.0546","0.0006","15.0183","0.0016","18.7832","0.0019","90","","90","","90","","1708","0.3","120","2","120","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C21 H19 Cl O2 -","- C21 H19 Cl O2 -","- C84 H76 Cl4 O8 -","4","1","","Clarke, Christopher; Incerti-Pradillos, Celia A; Lam, Hon Wai","Enantioselective Nickel-Catalyzed anti-Carbometallative Cyclizations of Alkynyl Electrophiles Enabled by Reversible Alkenylnickel E/Z Isomerization.","Journal of the American Chemical Society","2016","138","26","8068","8071","10.1021/jacs.6b04206","","x-ray","1.54184","CuKα","","0.0357","0.0315","","","0.0761","0.0795","","","","","","1.047","","","","has coordinates","240923","2020-10-21","18:00:00",""
"4130517","9.4271","0.0001","6.00798","0.00004","29.03","0.0002","90","","93.1504","0.0008","90","","1641.71","0.02","120","2","120","2","","","","","","","","3","I 1 2 1","I 2y","5","","","","- C22 H20 O2 -","- C22 H20 O2 -","- C88 H80 O8 -","4","1","","Clarke, Christopher; Incerti-Pradillos, Celia A; Lam, Hon Wai","Enantioselective Nickel-Catalyzed anti-Carbometallative Cyclizations of Alkynyl Electrophiles Enabled by Reversible Alkenylnickel E/Z Isomerization.","Journal of the American Chemical Society","2016","138","26","8068","8071","10.1021/jacs.6b04206","","x-ray","1.54184","CuKα","","0.027","0.027","","","0.0692","0.0692","","","","","","1.079","","","","has coordinates","240924","2020-10-21","18:00:00",""
"4130518","24.0701","0.0006","24.0701","0.0006","12.2447","0.0005","90","","90","","120","","6143.8","0.3","120","2","120","2","","","","","","","","3","R 3 :H","R 3","146","","","","- C17 H16 O -","- C17 H16 O -","- C306 H288 O18 -","18","2","","Clarke, Christopher; Incerti-Pradillos, Celia A; Lam, Hon Wai","Enantioselective Nickel-Catalyzed anti-Carbometallative Cyclizations of Alkynyl Electrophiles Enabled by Reversible Alkenylnickel E/Z Isomerization.","Journal of the American Chemical Society","2016","138","26","8068","8071","10.1021/jacs.6b04206","","x-ray","1.54184","CuKα","","0.057","0.0521","","","0.1559","0.1618","","","","","","1.072","","","","has coordinates","240925","2020-10-21","18:00:00",""
"4130519","11.1793","0.0002","11.1793","0.0002","16.6946","0.0008","90","","90","","120","","1806.91","0.1","180","2","180","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C12 H18 F12 Mg N6 P2 -","- C12 H18 F12 Mg N6 P2 -","- C36 H54 F36 Mg3 N18 P6 -","3","0.166667","","Keyzer, Evan N.; Glass, Hugh F. J.; Liu, Zigeng; Bayley, Paul M.; Dutton, Siân E; Grey, Clare P.; Wright, Dominic S.","Mg(PF6)2-Based Electrolyte Systems: Understanding Electrolyte-Electrode Interactions for the Development of Mg-Ion Batteries.","Journal of the American Chemical Society","2016","138","28","8682","8685","10.1021/jacs.6b04319","","","1.54178","CuKα","","0.0426","0.0354","","","0.0831","0.0874","","","","","","1.105","","","","has coordinates","240926","2020-10-21","18:00:00",""
"4130520","27.8633","0.0018","19.6876","0.0013","14.3635","0.0009","90","","121.019","0.002","90","","6752.5","0.8","100","2","99.99","","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C64 H61 F18 N7 P3 -","- C64 H61 F18 N7 P3 -","- C256 H244 F72 N28 P12 -","4","0.5","","Cheng, Chuyang; Cheng, Tao; Xiao, Hai; Krzyaniak, Matthew D.; Wang, Yuping; McGonigal, Paul R.; Frasconi, Marco; Barnes, Jonathan C.; Fahrenbach, Albert C.; Wasielewski, Michael R.; Goddard, 3rd, William A; Stoddart, J. Fraser","Influence of Constitution and Charge on Radical Pairing Interactions in Tris-radical Tricationic Complexes.","Journal of the American Chemical Society","2016","138","26","8288","8300","10.1021/jacs.6b04343","","","1.54178","CuKα","","0.1135","0.1005","","","0.2952","0.3082","","","","","","1.106","","","","has coordinates,has disorder","240927","2020-10-21","18:00:00",""
"4130521","16.64","0.004","16.71","0.003","17.16","0.004","75.037","0.013","70.814","0.013","62.956","0.014","3980","1.6","100","2","100.02","","","","","","","","","5","P -1","-P 1","2","","","","- C59 H62 F24 N7 P4 -","- C59 H62 F24 N7 P4 -","- C118 H124 F48 N14 P8 -","2","1","","Cheng, Chuyang; Cheng, Tao; Xiao, Hai; Krzyaniak, Matthew D.; Wang, Yuping; McGonigal, Paul R.; Frasconi, Marco; Barnes, Jonathan C.; Fahrenbach, Albert C.; Wasielewski, Michael R.; Goddard, 3rd, William A; Stoddart, J. Fraser","Influence of Constitution and Charge on Radical Pairing Interactions in Tris-radical Tricationic Complexes.","Journal of the American Chemical Society","2016","138","26","8288","8300","10.1021/jacs.6b04343","","","1.54178","CuKα","","0.1916","0.1078","","","0.2756","0.3129","","","","","","0.929","","","","has coordinates,has disorder","240928","2020-10-21","18:00:00",""
"4130522","9.938","0.002","13.616","0.003","14.482","0.003","113.563","0.006","99.933","0.007","101.953","0.007","1684.6","0.6","100","2","99.99","","","","","","","","","5","P -1","-P 1","2","","","","- C70 H72 F18 N8 P3 -","- C70 H72 F18 N8 P3 -","- C70 H72 F18 N8 P3 -","1","0.5","","Cheng, Chuyang; Cheng, Tao; Xiao, Hai; Krzyaniak, Matthew D.; Wang, Yuping; McGonigal, Paul R.; Frasconi, Marco; Barnes, Jonathan C.; Fahrenbach, Albert C.; Wasielewski, Michael R.; Goddard, 3rd, William A; Stoddart, J. Fraser","Influence of Constitution and Charge on Radical Pairing Interactions in Tris-radical Tricationic Complexes.","Journal of the American Chemical Society","2016","138","26","8288","8300","10.1021/jacs.6b04343","","","1.54178","CuKα","","0.0313","0.031","","","0.0821","0.0824","","","","","","1.039","","","","has coordinates","240929","2020-10-21","18:00:00",""
"4130523","16.6492","0.0007","19.7296","0.0009","22.6647","0.001","90","","95.147","0.003","90","","7414.9","0.6","100","2","99.99","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C146 H151 F42 N21 P7 -","- C146 H151 F42 N21 P7 -","- C292 H302 F84 N42 P14 -","2","0.5","","Cheng, Chuyang; Cheng, Tao; Xiao, Hai; Krzyaniak, Matthew D.; Wang, Yuping; McGonigal, Paul R.; Frasconi, Marco; Barnes, Jonathan C.; Fahrenbach, Albert C.; Wasielewski, Michael R.; Goddard, 3rd, William A; Stoddart, J. Fraser","Influence of Constitution and Charge on Radical Pairing Interactions in Tris-radical Tricationic Complexes.","Journal of the American Chemical Society","2016","138","26","8288","8300","10.1021/jacs.6b04343","","","1.54178","CuKα","","0.0909","0.0582","","","0.1523","0.1747","","","","","","1.033","","","","has coordinates,has disorder","240930","2020-10-21","18:00:00",""
"4130524","13.8924","0.0009","19.3041","0.0011","28.5592","0.0017","87.962","0.004","83.733","0.004","75.084","0.004","7356.5","0.8","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C61 H64.5 F24 N8.5 P4 -","- C61 H64.5 F24 N8.5 P4 -","- C244 H258 F96 N34 P16 -","4","2","","Cheng, Chuyang; Cheng, Tao; Xiao, Hai; Krzyaniak, Matthew D.; Wang, Yuping; McGonigal, Paul R.; Frasconi, Marco; Barnes, Jonathan C.; Fahrenbach, Albert C.; Wasielewski, Michael R.; Goddard, 3rd, William A; Stoddart, J. Fraser","Influence of Constitution and Charge on Radical Pairing Interactions in Tris-radical Tricationic Complexes.","Journal of the American Chemical Society","2016","138","26","8288","8300","10.1021/jacs.6b04343","","","1.54178","CuKα","","0.1754","0.1187","","","0.3038","0.3391","","","","","","1.114","","","","has coordinates,has disorder","240931","2020-10-21","18:00:00",""
"4130525","13.9238","0.0014","18.0258","0.0017","19.2008","0.0018","87.542","0.005","74.7","0.006","83.934","0.006","4621.8","0.8","100","2","99.99","","","","","","","","","5","P -1","-P 1","2","","","","- C72 H78 F30 N12 P5 -","- C72 H78 F30 N12 P5 -","- C144 H156 F60 N24 P10 -","2","1","","Cheng, Chuyang; Cheng, Tao; Xiao, Hai; Krzyaniak, Matthew D.; Wang, Yuping; McGonigal, Paul R.; Frasconi, Marco; Barnes, Jonathan C.; Fahrenbach, Albert C.; Wasielewski, Michael R.; Goddard, 3rd, William A; Stoddart, J. Fraser","Influence of Constitution and Charge on Radical Pairing Interactions in Tris-radical Tricationic Complexes.","Journal of the American Chemical Society","2016","138","26","8288","8300","10.1021/jacs.6b04343","","","1.54178","CuKα","","0.2417","0.1656","","","0.4604","0.5072","","","","","","1.7","","","","has coordinates,has disorder","240932","2020-10-21","18:00:00",""
"4130526","15.1698","0.0003","23.0713","0.0005","30.3293","0.0007","90","","96.032","0.002","90","","10556.1","0.4","100","2","100","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C68 H124 Bi7.68 K3 N6 O18 Pb5.98 U -","- C68 H124 Bi7.6808 K3 N6 O18 Pb5.9786 U -","- C272 H496 Bi30.7232 K12 N24 O72 Pb23.9144 U4 -","4","1","","Lichtenberger, Niels; Wilson, Robert J.; Eulenstein, Armin R.; Massa, Werner; Clérac, Rodolphe; Weigend, Florian; Dehnen, Stefanie","Main Group Metal-Actinide Magnetic Coupling and Structural Response Upon U(4+) Inclusion Into Bi, Tl/Bi, or Pb/Bi Cages.","Journal of the American Chemical Society","2016","138","29","9033","9036","10.1021/jacs.6b04363","","","0.71073","MoKα","","0.0894","0.045","","","0.0584","0.0653","","","","","","1.151","","","","has coordinates","240933","2020-10-21","18:00:00",""
"4130527","31.7268","0.0006","39.3976","0.0012","16.698","0.0003","90","","90","","90","","20871.8","0.8","100","2","100","2","","","","","","","","7","P b a 2","P 2 -2ab","32","","","","- C64 H84 Bi12 K3 N9 O18 U -","- C39.5 H73 Bi12 K3 N5 O10.5 U -","- C316 H584 Bi96 K24 N40 O84 U8 -","8","2","","Lichtenberger, Niels; Wilson, Robert J.; Eulenstein, Armin R.; Massa, Werner; Clérac, Rodolphe; Weigend, Florian; Dehnen, Stefanie","Main Group Metal-Actinide Magnetic Coupling and Structural Response Upon U(4+) Inclusion Into Bi, Tl/Bi, or Pb/Bi Cages.","Journal of the American Chemical Society","2016","138","29","9033","9036","10.1021/jacs.6b04363","","","0.71073","MoKα","","0.1206","0.0585","","","0.0859","0.0935","","","","","","0.979","","","","has coordinates","240934","2020-10-21","18:00:00",""
"4130528","14.6092","0.0004","21.8659","0.0005","16.3877","0.0005","90","","106.917","0.002","90","","5008.4","0.2","100","2","100","2","","","","","","","","8","P 1 21/m 1","-P 2yb","11","","","","- C63 H124 Bi11 K3 N8 O18 Tl2 U -","- C62.5 H124 Bi11 K3 N8 O18 Tl2 U -","- C125 H248 Bi22 K6 N16 O36 Tl4 U2 -","2","0.5","","Lichtenberger, Niels; Wilson, Robert J.; Eulenstein, Armin R.; Massa, Werner; Clérac, Rodolphe; Weigend, Florian; Dehnen, Stefanie","Main Group Metal-Actinide Magnetic Coupling and Structural Response Upon U(4+) Inclusion Into Bi, Tl/Bi, or Pb/Bi Cages.","Journal of the American Chemical Society","2016","138","29","9033","9036","10.1021/jacs.6b04363","","","0.71073","MoKα","","0.0797","0.056","","","0.1198","0.1275","","","","","","1.185","","","","has coordinates,has disorder","240935","2020-10-21","18:00:00",""
"4130529","9.7547","0.0003","12.6902","0.0003","17.196","0.0004","90","","90","","90","","2128.68","0.1","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C25 H23 N O3 S -","- C25 H23 N O3 S -","- C100 H92 N4 O12 S4 -","4","1","","Guo, Chang; Fleige, Mirco; Janssen-Müller, Daniel; Daniliuc, Constantin G.; Glorius, Frank","Cooperative N-Heterocyclic Carbene/Palladium-Catalyzed Enantioselective Umpolung Annulations.","Journal of the American Chemical Society","2016","138","25","7840","7843","10.1021/jacs.6b04364","","","1.54178","CuKα","","0.0357","0.032","","","0.074","0.0761","","","","","","1.079","","","","has coordinates","240936","2020-10-21","18:00:00",""
"4130530","29.2365","0.0015","33.0466","0.0016","32.1833","0.0015","90","","91.677","0.004","90","","31081","3","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C102 H30 F42 N6 O12 -","- C102 H30 F42 N6 O12 -","- C816 H240 F336 N48 O96 -","8","1","","Meng, Dong; Fu, Huiting; Xiao, Chengyi; Meng, Xiangyi; Winands, Thorsten; Ma, Wei; Wei, Wei; Fan, Bingbing; Huo, Lijun; Doltsinis, Nikos L.; Li, Yan; Sun, Yanming; Wang, Zhaohui","Three-Bladed Rylene Propellers with Three-Dimensional Network Assembly for Organic Electronics.","Journal of the American Chemical Society","2016","138","32","10184","10190","10.1021/jacs.6b04368","","","1.54184","CuKα","","0.2928","0.1947","","","0.4437","0.5012","","","","","","1.114","","","","has coordinates","240937","2020-10-21","18:00:00",""
"4130531","24.871","0.005","40.663","0.008","31.272","0.006","90","","102.71","0.03","90","","30851","11","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C144 H150 N6 O12 Se3 -","- C78 N6 O12 Se3 -","- C624 N48 O96 Se24 -","8","1","","Meng, Dong; Fu, Huiting; Xiao, Chengyi; Meng, Xiangyi; Winands, Thorsten; Ma, Wei; Wei, Wei; Fan, Bingbing; Huo, Lijun; Doltsinis, Nikos L.; Li, Yan; Sun, Yanming; Wang, Zhaohui","Three-Bladed Rylene Propellers with Three-Dimensional Network Assembly for Organic Electronics.","Journal of the American Chemical Society","2016","138","32","10184","10190","10.1021/jacs.6b04368","","","0.71073","MoKα","","0.3327","0.1772","","","0.4266","0.4982","","","","","","0.99","","","","has coordinates","240938","2020-10-21","18:00:00",""
"4130532","13.386","0.001","13.874","0.002","17.401","0.001","91.797","0.002","109.34","0.03","109.77","0.02","2831.9","0.9","100","2","100","2","","","","","","","","6","P 1","P 1","1","","","","- C92.4 H105.6 F15.6 N2 O33.2 P8 -","- C92 H104 F15 N2 O33 P8 -","- C92 H104 F15 N2 O33 P8 -","1","1","","Pinalli, Roberta; Brancatelli, Giovanna; Pedrini, Alessandro; Menozzi, Daniela; Hernández, Daniel; Ballester, Pablo; Geremia, Silvano; Dalcanale, Enrico","The Origin of Selectivity in the Complexation of N-Methyl Amino Acids by Tetraphosphonate Cavitands.","Journal of the American Chemical Society","2016","138","27","8569","8580","10.1021/jacs.6b04372","","","0.7","","","0.0877","0.0849","","","0.2358","0.2399","","","","","","1.033","","","","has coordinates,has disorder","240939","2020-10-21","18:00:00",""
"4130533","13.174","0.001","14.676","0.002","16.965","0.001","67.422","0.003","71.903","0.002","82.706","0.002","2878.7","0.5","100","2","100","2","","","","","","","","7","P 1","P 1","1","","","","- C92 H108.9 Cl2 F18.9 N2 O33.8 P8 -","- C92 H109.3 Cl2 F18.9 N2 O33.8 P8 -","- C92 H109.3 Cl2 F18.9 N2 O33.8 P8 -","1","1","","Pinalli, Roberta; Brancatelli, Giovanna; Pedrini, Alessandro; Menozzi, Daniela; Hernández, Daniel; Ballester, Pablo; Geremia, Silvano; Dalcanale, Enrico","The Origin of Selectivity in the Complexation of N-Methyl Amino Acids by Tetraphosphonate Cavitands.","Journal of the American Chemical Society","2016","138","27","8569","8580","10.1021/jacs.6b04372","","","0.7","","","0.0763","0.0745","","","0.2127","0.2161","","","","","","1.034","","","","has coordinates,has disorder","240940","2020-10-21","18:00:00",""
"4130534","12.132","0.002","14.541","0.001","15.468","0.001","90.106","0.002","81.165","0.003","84.626","0.002","2684.1","0.5","100","2","100","2","","","","","","","","6","P 1","P 1","1","","","","- C94 H112 F18 N2 O36 P8 -","- C94 H112 F18 N2 O36 P8 -","- C94 H112 F18 N2 O36 P8 -","1","1","","Pinalli, Roberta; Brancatelli, Giovanna; Pedrini, Alessandro; Menozzi, Daniela; Hernández, Daniel; Ballester, Pablo; Geremia, Silvano; Dalcanale, Enrico","The Origin of Selectivity in the Complexation of N-Methyl Amino Acids by Tetraphosphonate Cavitands.","Journal of the American Chemical Society","2016","138","27","8569","8580","10.1021/jacs.6b04372","","","0.7","","","0.0714","0.0631","","","0.1721","0.1811","","","","","","1.036","","","","has coordinates","240942","2020-10-21","18:00:00",""
"4130535","22.28","0.01","18.09","0.01","24.96","0.01","90","","106.28","0.02","90","","9657","8","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C170.8 H192.9 F22.55 N3.8 O70.5 P16 -","- C170.8 H192.9 F22.55 N3.8 O70.5 P16 -","- C341.6 H385.8 F45.1 N7.6 O141 P32 -","2","1","","Pinalli, Roberta; Brancatelli, Giovanna; Pedrini, Alessandro; Menozzi, Daniela; Hernández, Daniel; Ballester, Pablo; Geremia, Silvano; Dalcanale, Enrico","The Origin of Selectivity in the Complexation of N-Methyl Amino Acids by Tetraphosphonate Cavitands.","Journal of the American Chemical Society","2016","138","27","8569","8580","10.1021/jacs.6b04372","","","0.7","","","0.2891","0.1397","","","0.306","0.3501","","","","","","0.989","","","","has coordinates,has disorder","240943","2020-10-21","18:00:00",""
"4130536","11.93","0.002","17.817","0.001","12.515","0.003","90","","95.225","0.004","90","","2649.1","0.8","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C46 H54 F9 N O18 P4 -","- C46 H54 F9 N O18 P4 -","- C92 H108 F18 N2 O36 P8 -","2","1","","Pinalli, Roberta; Brancatelli, Giovanna; Pedrini, Alessandro; Menozzi, Daniela; Hernández, Daniel; Ballester, Pablo; Geremia, Silvano; Dalcanale, Enrico","The Origin of Selectivity in the Complexation of N-Methyl Amino Acids by Tetraphosphonate Cavitands.","Journal of the American Chemical Society","2016","138","27","8569","8580","10.1021/jacs.6b04372","","","0.6","","","0.0512","0.0489","","","0.1351","0.1371","","","","","","1.038","","","","has coordinates,has disorder","240944","2020-10-21","18:00:00",""
"4130537","12.78","0.01","14.37","0.01","18.31","0.01","70.09","0.02","69.92","0.01","69.68","0.02","2867","3","100","2","100","2","","","","","","","","6","P 1","P 1","1","","","","- C96.2 H111.3 F21.3 N2 O37.1 P8 -","- C96.2 H111.3 F21.3 N2 O37.1 P8 -","- C96.2 H111.3 F21.3 N2 O37.1 P8 -","1","1","","Pinalli, Roberta; Brancatelli, Giovanna; Pedrini, Alessandro; Menozzi, Daniela; Hernández, Daniel; Ballester, Pablo; Geremia, Silvano; Dalcanale, Enrico","The Origin of Selectivity in the Complexation of N-Methyl Amino Acids by Tetraphosphonate Cavitands.","Journal of the American Chemical Society","2016","138","27","8569","8580","10.1021/jacs.6b04372","","","0.7","","","0.0718","0.0712","","","0.1947","0.1958","","","","","","1.054","","","","has coordinates,has disorder","240945","2020-10-21","18:00:00",""
"4130538","12.65","0.01","18.35","0.01","26.59","0.01","81.38","0.02","84.56","0.03","70.12","0.02","5732","6","100","2","100","2","","","","","","","","6","P 1","P 1","1","","","","- C192 H228 F48 N4 O72.4 P16 -","- C192 H227.65 F48 N4 O72.05 P16 -","- C192 H227.65 F48 N4 O72.05 P16 -","1","1","","Pinalli, Roberta; Brancatelli, Giovanna; Pedrini, Alessandro; Menozzi, Daniela; Hernández, Daniel; Ballester, Pablo; Geremia, Silvano; Dalcanale, Enrico","The Origin of Selectivity in the Complexation of N-Methyl Amino Acids by Tetraphosphonate Cavitands.","Journal of the American Chemical Society","2016","138","27","8569","8580","10.1021/jacs.6b04372","","","0.7","","","0.0634","0.0605","","","0.1632","0.1676","","","","","","1.038","","","","has coordinates,has disorder","240946","2020-10-21","18:00:00",""
"4130539","17.315","0.005","34.061","0.004","17.316","0.005","90","","90.201","0.005","90","","10212","4","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C79 H84 Cl N6 O25.8 P4 -","- C79 H84 Cl N6 O25.8 P4 -","- C316 H336 Cl4 N24 O103.2 P16 -","4","0.5","","Pinalli, Roberta; Brancatelli, Giovanna; Pedrini, Alessandro; Menozzi, Daniela; Hernández, Daniel; Ballester, Pablo; Geremia, Silvano; Dalcanale, Enrico","The Origin of Selectivity in the Complexation of N-Methyl Amino Acids by Tetraphosphonate Cavitands.","Journal of the American Chemical Society","2016","138","27","8569","8580","10.1021/jacs.6b04372","","","0.79999","","","0.1642","0.1274","","","0.3884","0.4265","","","","","","1.638","","","","has coordinates,has disorder","240947","2020-10-21","18:00:00",""
"4130540","12.99","0.01","15.33","0.01","16.81","0.01","115.32","0.02","99.27","0.03","100.53","0.02","2865","3","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C47.5 H58.25 Cl F8.25 N O17.75 P4 -","- C47.5 H58.25 Cl F8.25 N O17.75 P4 -","- C95 H116.5 Cl2 F16.5 N2 O35.5 P8 -","2","1","","Pinalli, Roberta; Brancatelli, Giovanna; Pedrini, Alessandro; Menozzi, Daniela; Hernández, Daniel; Ballester, Pablo; Geremia, Silvano; Dalcanale, Enrico","The Origin of Selectivity in the Complexation of N-Methyl Amino Acids by Tetraphosphonate Cavitands.","Journal of the American Chemical Society","2016","138","27","8569","8580","10.1021/jacs.6b04372","","","0.7","","","0.0688","0.0662","","","0.1784","0.1806","","","","","","1.037","","","","has coordinates,has disorder","240948","2020-10-21","18:00:00",""
"4130541","12.859","0.0001","26.902","0.0001","17.078","0.0001","90","","109.58","0.03","90","","5566.2","1","100","2","100","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C95.2 H117.8 Cl2 F13.8 N2 O33.15 P8 -","- C95.2 H117.8 Cl2 F13.8 N2 O33.15 P8 -","- C190.4 H235.6 Cl4 F27.6 N4 O66.3 P16 -","2","1","","Pinalli, Roberta; Brancatelli, Giovanna; Pedrini, Alessandro; Menozzi, Daniela; Hernández, Daniel; Ballester, Pablo; Geremia, Silvano; Dalcanale, Enrico","The Origin of Selectivity in the Complexation of N-Methyl Amino Acids by Tetraphosphonate Cavitands.","Journal of the American Chemical Society","2016","138","27","8569","8580","10.1021/jacs.6b04372","","","0.69999","","","0.1049","0.0818","","","0.2087","0.2306","","","","","","1.017","","","","has coordinates,has disorder","240949","2020-10-21","18:00:00",""
"4130542","12.37","0.01","13.26","0.01","17.96","0.01","69.97","0.02","78.83","0.03","82.15","0.02","2707","3","100","2","100","2","","","","","","","","7","P 1","P 1","1","","","","- C98 H108 Cl2 F12 N2 O34.15 P8 -","- C98 H108 Cl2 F12 N2 O34.15 P8 -","- C98 H108 Cl2 F12 N2 O34.15 P8 -","1","1","","Pinalli, Roberta; Brancatelli, Giovanna; Pedrini, Alessandro; Menozzi, Daniela; Hernández, Daniel; Ballester, Pablo; Geremia, Silvano; Dalcanale, Enrico","The Origin of Selectivity in the Complexation of N-Methyl Amino Acids by Tetraphosphonate Cavitands.","Journal of the American Chemical Society","2016","138","27","8569","8580","10.1021/jacs.6b04372","","x-ray","0.7","","","0.0565","0.0561","","","0.1457","0.146","","","","","","1.048","","","","has coordinates,has disorder","240950","2020-10-21","18:00:00",""
"4130543","12.779","0.002","17.178","0.001","17.193","0.002","65.681","0.003","70.396","0.002","73.262","0.002","3190.2","0.7","100","2","100","2","","","","","","","","7","P 1","P 1","1","","","","- C95.2 H113.8 Cl2 F25.8 N2 O36.6 P8 -","- C95.4 H114.1 Cl2 F26.1 N2 O36.7 P8 -","- C95.4 H114.1 Cl2 F26.1 N2 O36.7 P8 -","1","1","","Pinalli, Roberta; Brancatelli, Giovanna; Pedrini, Alessandro; Menozzi, Daniela; Hernández, Daniel; Ballester, Pablo; Geremia, Silvano; Dalcanale, Enrico","The Origin of Selectivity in the Complexation of N-Methyl Amino Acids by Tetraphosphonate Cavitands.","Journal of the American Chemical Society","2016","138","27","8569","8580","10.1021/jacs.6b04372","","","0.7","","","0.0673","0.0662","","","0.1847","0.186","","","","","","1.063","","","","has coordinates,has disorder","240951","2020-10-21","18:00:00",""
"4130544","11.99","0.01","12.82","0.01","17.65","0.01","87.99","0.02","87.73","0.03","83.4","0.01","2692","3","100","2","100","2","","","","","","","","7","P 1","P 1","1","","","","- C88 H101 F15 N2 O33 P8 S2 -","- C88 H101 F15 N2 O33 P8 S2 -","- C88 H101 F15 N2 O33 P8 S2 -","1","1","","Pinalli, Roberta; Brancatelli, Giovanna; Pedrini, Alessandro; Menozzi, Daniela; Hernández, Daniel; Ballester, Pablo; Geremia, Silvano; Dalcanale, Enrico","The Origin of Selectivity in the Complexation of N-Methyl Amino Acids by Tetraphosphonate Cavitands.","Journal of the American Chemical Society","2016","138","27","8569","8580","10.1021/jacs.6b04372","","","0.7","","","0.0688","0.0684","","","0.1918","0.1922","","","","","","1.144","","","","has coordinates,has disorder","240952","2020-10-21","18:00:00",""
"4130545","12.59","0.01","15.96","0.01","16.97","0.01","93.69","0.02","107.73","0.03","105.58","0.02","3089","4","100","2","100","2","","","","","","","","7","P 1","P 1","1","","","","- C98.9 H122.35 Cl2 F22.35 N2 O37.45 P8 -","- C98.9 H122.35 Cl2 F22.35 N2 O37.45 P8 -","- C98.9 H122.35 Cl2 F22.35 N2 O37.45 P8 -","1","1","","Pinalli, Roberta; Brancatelli, Giovanna; Pedrini, Alessandro; Menozzi, Daniela; Hernández, Daniel; Ballester, Pablo; Geremia, Silvano; Dalcanale, Enrico","The Origin of Selectivity in the Complexation of N-Methyl Amino Acids by Tetraphosphonate Cavitands.","Journal of the American Chemical Society","2016","138","27","8569","8580","10.1021/jacs.6b04372","","","0.7","","","0.0582","0.0578","","","0.1708","0.1713","","","","","","1.043","","","","has coordinates","240953","2020-10-21","18:00:00",""
"4130546","13.19","0.01","13.77","0.01","17.91","0.01","95.67","0.01","110.4","0.02","109","0.02","2799","3","100","2","100","2","","","","","","","","6","P 1","P 1","1","","","","- C82.5 H92.75 F6.75 N2 O32.25 P8 -","- C82.5 H89.75 F6.75 N2 O32.25 P8 -","- C82.5 H89.75 F6.75 N2 O32.25 P8 -","1","1","","Pinalli, Roberta; Brancatelli, Giovanna; Pedrini, Alessandro; Menozzi, Daniela; Hernández, Daniel; Ballester, Pablo; Geremia, Silvano; Dalcanale, Enrico","The Origin of Selectivity in the Complexation of N-Methyl Amino Acids by Tetraphosphonate Cavitands.","Journal of the American Chemical Society","2016","138","27","8569","8580","10.1021/jacs.6b04372","","","0.7","","","0.1321","0.114","","","0.3305","0.3496","","","","","","1.411","","","","has coordinates","240954","2020-10-21","18:00:00",""
"4130547","9.4218","0.0011","9.4218","0.0011","41.184","0.005","90","","90","","120","","3166.1","0.6","100.01","0.1","100.01","0.1","","","","","","","","6","P 65","P 65","170","","","","- C24 H18 Br N O3 S -","- C24 H18 Br N O3 S -","- C144 H108 Br6 N6 O18 S6 -","6","1","","Wang, Qiang; Li, Tian-Ren; Lu, Liang-Qiu; Li, Miao-Miao; Zhang, Kai; Xiao, Wen-Jing","Catalytic Asymmetric [4 + 1] Annulation of Sulfur Ylides with Copper-Allenylidene Intermediates.","Journal of the American Chemical Society","2016","138","27","8360","8363","10.1021/jacs.6b04414","","","0.71073","MoKα","","0.0879","0.0564","","","0.1079","0.1201","","","","","","1.142","","","","has coordinates","240955","2020-10-21","18:00:00",""
"4130548","11.638","0.005","9.695","0.003","28.574","0.01","90","","96.741","0.011","90","","3202","2","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C37 H32 N2 O4 S2 -","- C37 H32 N2 O4 S2 -","- C148 H128 N8 O16 S8 -","4","1","","Wang, Qiang; Li, Tian-Ren; Lu, Liang-Qiu; Li, Miao-Miao; Zhang, Kai; Xiao, Wen-Jing","Catalytic Asymmetric [4 + 1] Annulation of Sulfur Ylides with Copper-Allenylidene Intermediates.","Journal of the American Chemical Society","2016","138","27","8360","8363","10.1021/jacs.6b04414","","","0.71073","MoKα","","0.2009","0.0699","","","0.1038","0.1371","","","","","","1.023","","","","has coordinates","240956","2020-10-21","18:00:00",""
"4130549","21.7706","0.0005","10.2389","0.0003","17.6237","0.0004","90","","112.03","0.002","90","","3641.62","0.17","193","2","193","2","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","","","","- C54 H38 -","- C54 H38 -","- C216 H152 -","4","1","","Liu, Junzhi; Osella, Silvio; Ma, Ji; Berger, Reinhard; Beljonne, David; Schollmeyer, Dieter; Feng, Xinliang; Müllen, Klaus","Fused Dibenzo[a,m]rubicene: A New Bowl-Shaped Subunit of C70 Containing Two Pentagons.","Journal of the American Chemical Society","2016","138","27","8364","8367","10.1021/jacs.6b04426","","","0.71073","MoKα","","0.0795","0.0681","","","0.1914","0.2049","","","","","","1.012","","","","has coordinates","240957","2020-10-21","18:00:00",""
"4130550","11.7932","0.0007","18.2962","0.001","20.0268","0.0012","107.388","0.004","93.328","0.005","96.709","0.004","4075.7","0.4","193","2","193","2","","","","","","","","3","P -1","-P 1","2","","","","- C54 H40 Cl2 -","- C54 H40 Cl2 -","- C216 H160 Cl8 -","4","2","","Liu, Junzhi; Osella, Silvio; Ma, Ji; Berger, Reinhard; Beljonne, David; Schollmeyer, Dieter; Feng, Xinliang; Müllen, Klaus","Fused Dibenzo[a,m]rubicene: A New Bowl-Shaped Subunit of C70 Containing Two Pentagons.","Journal of the American Chemical Society","2016","138","27","8364","8367","10.1021/jacs.6b04426","","","1.54178","CuKα","","0.1705","0.0688","","","0.1638","0.2249","","","","","","0.858","","","","has coordinates,has disorder","240958","2020-10-21","18:00:00",""
"4130551","9.0142","0.00014","10.94112","0.00014","38.4416","0.0006","90","","90","","90","","3791.32","0.1","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","L-(/aMe)Val(-OtBu)-FUM-(Aib)4-Gly-NH2","","","- C32 H55 N7 O9 -","- C32 H55 N7 O9 -","- C128 H220 N28 O36 -","4","1","","Mazzier, Daniela; Crisma, Marco; De Poli, Matteo; Marafon, Giulia; Peggion, Cristina; Clayden, Jonathan; Moretto, Alessandro","Helical Foldamers Incorporating Photoswitchable Residues for Light-Mediated Modulation of Conformational Preference.","Journal of the American Chemical Society","2016","138","25","8007","8018","10.1021/jacs.6b04435","","","1.54178","CuKα","","0.0438","0.0406","","","0.1098","0.1126","","","","","","1.031","","","","has coordinates","240959","2020-10-21","18:00:00",""
"4130552","12.78876","0.00014","21.3074","0.0002","42.2055","0.0006","90","","90","","90","","11500.8","0.2","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","L-(/aMe)Val(-OtBu)-MAL-Aib-OMe","","","- C19 H32 N2 O6 -","- C19 H32 N2 O6 -","- C380 H640 N40 O120 -","20","5","","Mazzier, Daniela; Crisma, Marco; De Poli, Matteo; Marafon, Giulia; Peggion, Cristina; Clayden, Jonathan; Moretto, Alessandro","Helical Foldamers Incorporating Photoswitchable Residues for Light-Mediated Modulation of Conformational Preference.","Journal of the American Chemical Society","2016","138","25","8007","8018","10.1021/jacs.6b04435","","","1.54178","CuKα","","0.0601","0.0525","","","0.1481","0.1558","","","","","","1.044","","","","has coordinates","240960","2020-10-21","18:00:00",""
"4130553","30.5957","0.0007","30.5957","0.0007","30.7966","0.0008","90","","90","","120","","24966.3","1","173","0.14","173","0.14","","","","","","","","5","P -3 1 c","-P 3 2c","163","","","","- C336 H210 Ag30 Au80 Cl15 -","- C336 H210 Ag30 Au80 Cl15 -","- C672 H420 Ag60 Au160 Cl30 -","2","0.166667","","Zeng, Jiu-Lian; Guan, Zong-Jie; Du, Yang; Nan, Zi-Ang; Lin, Yu-Mei; Wang, Quan-Ming","Chloride-Promoted Formation of a Bimetallic Nanocluster Au80Ag30 and the Total Structure Determination.","Journal of the American Chemical Society","2016","138","25","7848","7851","10.1021/jacs.6b04471","","","1.54184","CuKα","","0.1086","0.0801","","","0.2457","0.267","","","","","","1.209","","","","has coordinates,has disorder","240961","2020-10-21","18:00:00",""
"4130554","24.0438","0.001","11.127","0.0008","26.6039","0.0014","90","","92.549","0.004","90","","7110.4","0.7","253","","253","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C68 H60 N4 O4 -","- C68 H60 N4 O4 -","- C272 H240 N16 O16 -","4","1","","Das, Soumyajit; Herng, Tun Seng; Zafra, José L; Burrezo, Paula Mayorga; Kitano, Masaaki; Ishida, Masatoshi; Gopalakrishna, Tullimilli Y.; Hu, Pan; Osuka, Atsuhiro; Casado, Juan; Ding, Jun; Casanova, David; Wu, Jishan","Fully Fused Quinoidal/Aromatic Carbazole Macrocycles with Poly-radical Characters.","Journal of the American Chemical Society","2016","138","24","7782","7790","10.1021/jacs.6b04539","","","1.54178","CuKα","","0.183","0.0775","","","0.195","0.2489","","","","","","0.934","","","","has coordinates,has disorder","240962","2020-10-21","18:00:00",""
"4130555","38.523","0.0006","38.523","0.0006","14.3978","0.0003","90","","90","","90","","21366.6","0.6","100","","100","","","","","","","","","4","P 4/n :2","-P 4a","85","","","","- C123 H114 N6 O6 -","- C123 H114 N6 O6 -","- C984 H912 N48 O48 -","8","1","","Das, Soumyajit; Herng, Tun Seng; Zafra, José L; Burrezo, Paula Mayorga; Kitano, Masaaki; Ishida, Masatoshi; Gopalakrishna, Tullimilli Y.; Hu, Pan; Osuka, Atsuhiro; Casado, Juan; Ding, Jun; Casanova, David; Wu, Jishan","Fully Fused Quinoidal/Aromatic Carbazole Macrocycles with Poly-radical Characters.","Journal of the American Chemical Society","2016","138","24","7782","7790","10.1021/jacs.6b04539","","","0.71075","MoKα","","0.1733","0.1179","","","0.3424","0.3812","","","","","","1.343","","","","has coordinates,has disorder","240963","2020-10-21","18:00:00",""
"4130556","5.7473","0.0002","25.7792","0.0007","15.3715","0.0004","90","","90.0512","0.0013","90","","2277.45","0.12","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C13 H14 N2 O -","- C13 H14 N2 O -","- C104 H112 N16 O8 -","8","4","","Friis, Stig D.; Pirnot, Michael T.; Buchwald, Stephen L.","Asymmetric Hydroarylation of Vinylarenes Using a Synergistic Combination of CuH and Pd Catalysis.","Journal of the American Chemical Society","2016","138","27","8372","8375","10.1021/jacs.6b04566","","","1.54178","CuKα","","0.0304","0.03","","","0.0787","0.0793","","","","","","1.028","","","","has coordinates","240965","2020-10-21","18:00:00",""
"4130557","9.4441","0.0017","9.3924","0.0018","44.328","0.008","90","","90","","90","","3932","1.3","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C23 H21 Cl N2 O -","- C23 H21 Cl N2 O -","- C184 H168 Cl8 N16 O8 -","8","1","","Gerry, Christopher J.; Hua, Bruce K.; Wawer, Mathias J.; Knowles, Jonathan P.; Nelson, Jr, Shawn D; Verho, Oscar; Dandapani, Sivaraman; Wagner, Bridget K.; Clemons, Paul A.; Booker-Milburn, Kevin I; Boskovic, Zarko V.; Schreiber, Stuart L.","Real-Time Biological Annotation of Synthetic Compounds.","Journal of the American Chemical Society","2016","138","28","8920","8927","10.1021/jacs.6b04614","","","0.71073","MoKα","","0.0803","0.057","","","0.1104","0.1183","","","","","","1.129","","","","has coordinates,has disorder","240966","2020-10-21","18:00:00",""
"4130558","8.57","0.05","10.21","0.03","16.63","0.06","90","","98.84","0.12","90","","1438","11","103","2","103","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C33 H30 O5 P2 -","- C33 H30 O5 P2 -","- C66 H60 O10 P4 -","2","1","","Huang, Zhijian; Huang, Xuan; Li, Baosheng; Mou, Chengli; Yang, Song; Song, Bao-An; Chi, Yonggui Robin","Access to P-Stereogenic Phosphinates via N-Heterocyclic Carbene-Catalyzed Desymmetrization of Bisphenols.","Journal of the American Chemical Society","2016","138","24","7524","7527","10.1021/jacs.6b04624","","","0.71073","MoKα","","0.082","0.0586","","","0.1071","0.1196","","","","","","1.028","","","","has coordinates","240967","2020-10-21","18:00:00",""
"4130559","14.7211","0.0009","7.1449","0.0004","23.5913","0.0014","90","","90.528","0.004","90","","2481.2","0.3","153","2","153","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C26 H21 Br2 O6 P -","- C26 H21 Br2 O6 P -","- C104 H84 Br8 O24 P4 -","4","1","","Huang, Zhijian; Huang, Xuan; Li, Baosheng; Mou, Chengli; Yang, Song; Song, Bao-An; Chi, Yonggui Robin","Access to P-Stereogenic Phosphinates via N-Heterocyclic Carbene-Catalyzed Desymmetrization of Bisphenols.","Journal of the American Chemical Society","2016","138","24","7524","7527","10.1021/jacs.6b04624","","","0.71073","MoKα","","0.1329","0.0623","","","0.1304","0.1711","","","","","","1.012","","","","has coordinates,has disorder","240968","2020-10-21","18:00:00",""
"4130560","17.85","0.003","17.85","0.003","13.064","0.002","90","","90","","120","","3604.8","1","90","2","90","2","","","","","","","","9","P 63","P 6c","173","","","","- C36 H70 Au3 Ca Cl9 Cu6 N6 O30 S6 -","- C36 H48 Au3 Ca Cl3 Cu6 N6 O22 S6 -","- C72 H96 Au6 Ca2 Cl6 Cu12 N12 O44 S12 -","2","0.333333","","Mon, Marta; Ferrando-Soria, Jesús; Grancha, Thais; Fortea-Pérez, Francisco R; Gascon, Jorge; Leyva-Pérez, Antonio; Armentano, Donatella; Pardo, Emilio","Selective Gold Recovery and Catalysis in a Highly Flexible Methionine-Decorated Metal-Organic Framework.","Journal of the American Chemical Society","2016","138","25","7864","7867","10.1021/jacs.6b04635","","","0.71073","MoKα","","0.192","0.1207","","","0.3191","0.3492","","","","","","1.005","","","","has coordinates","240969","2020-10-21","18:00:00",""
"4130561","17.7992","0.0016","17.7992","0.0016","12.7145","0.0016","90","","90","","120","","3488.4","0.6","90","2","90","2","","","","","","","","7","P 63","P 6c","173","","","","- C36 H84 Ca Cu6 N6 O37 S6 -","- C36 H48 Ca Cu6 N6 O37 S6 -","- C72 H96 Ca2 Cu12 N12 O74 S12 -","2","0.333333","","Mon, Marta; Ferrando-Soria, Jesús; Grancha, Thais; Fortea-Pérez, Francisco R; Gascon, Jorge; Leyva-Pérez, Antonio; Armentano, Donatella; Pardo, Emilio","Selective Gold Recovery and Catalysis in a Highly Flexible Methionine-Decorated Metal-Organic Framework.","Journal of the American Chemical Society","2016","138","25","7864","7867","10.1021/jacs.6b04635","","","0.71073","MoKα","","0.1492","0.089","","","0.2421","0.2911","","","","","","1.03","","","","has coordinates","240970","2020-10-21","18:00:00",""
"4130562","17.7487","0.0012","17.7487","0.0012","12.695","0.0012","90","","90","","120","","3463.4","0.5","90","2","90","2","","","","","","","","9","P 63","P 6c","173","","","","- C39 H70 Au2 Ca Cl2 Cu6 N6 O27 S6 -","- C39 H48 Au1.9998 Ca Cl2.0001 Cu6 N6 O27 S6 -","- C78 H96 Au3.9996 Ca2 Cl4.0002 Cu12 N12 O54 S12 -","2","0.333333","","Mon, Marta; Ferrando-Soria, Jesús; Grancha, Thais; Fortea-Pérez, Francisco R; Gascon, Jorge; Leyva-Pérez, Antonio; Armentano, Donatella; Pardo, Emilio","Selective Gold Recovery and Catalysis in a Highly Flexible Methionine-Decorated Metal-Organic Framework.","Journal of the American Chemical Society","2016","138","25","7864","7867","10.1021/jacs.6b04635","","","0.71073","MoKα","","0.1772","0.1162","","","0.3188","0.3687","","","","","","1.065","","","","has coordinates","240971","2020-10-21","18:00:00",""
"4130563","13.2003","0.0006","12.3054","0.0006","15.2936","0.0007","90","","109.297","0.001","90","","2344.65","0.19","100","0.1","100","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","holpg04","","","- C50 H66 Cl2 Fe2 N4 -","- C50 H66 Cl2 Fe2 N4 -","- C100 H132 Cl4 Fe4 N8 -","2","0.5","","Bellows, Sarina M.; Arnet, Nicholas A.; Gurubasavaraj, Prabhuodeyara M.; Brennessel, William W.; Bill, Eckhard; Cundari, Thomas R.; Holland, Patrick L.","The Mechanism of N-N Double Bond Cleavage by an Iron(II) Hydride Complex.","Journal of the American Chemical Society","2016","138","37","12112","12123","10.1021/jacs.6b04654","","","0.71073","MoKα","","0.0951","0.0525","","","0.1288","0.1506","","","","","","1.046","","","","has coordinates","240972","2020-10-21","18:00:00",""
"4130564","8.2811","0.0006","16.2945","0.0012","20.4576","0.0016","90","","96.811","0.002","90","","2741","0.4","100","0.1","100","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","holpg01","","","- C29 H41 Cl Fe N2 O -","- C29 H41 Cl Fe N2 O -","- C116 H164 Cl4 Fe4 N8 O4 -","4","1","","Bellows, Sarina M.; Arnet, Nicholas A.; Gurubasavaraj, Prabhuodeyara M.; Brennessel, William W.; Bill, Eckhard; Cundari, Thomas R.; Holland, Patrick L.","The Mechanism of N-N Double Bond Cleavage by an Iron(II) Hydride Complex.","Journal of the American Chemical Society","2016","138","37","12112","12123","10.1021/jacs.6b04654","","","0.71073","MoKα","","0.0551","0.037","","","0.0902","0.0993","","","","","","1.042","","","","has coordinates,has disorder","240972","2020-10-21","18:00:00",""
"4130565","13.2514","0.0013","11.7781","0.0012","15.3265","0.0015","90","","110.665","0.002","90","","2238.2","0.4","100","0.1","100","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","holpg07","","","- C50 H68 Fe2 N4 -","- C50 H68 Fe2 N4 -","- C100 H136 Fe4 N8 -","2","0.5","","Bellows, Sarina M.; Arnet, Nicholas A.; Gurubasavaraj, Prabhuodeyara M.; Brennessel, William W.; Bill, Eckhard; Cundari, Thomas R.; Holland, Patrick L.","The Mechanism of N-N Double Bond Cleavage by an Iron(II) Hydride Complex.","Journal of the American Chemical Society","2016","138","37","12112","12123","10.1021/jacs.6b04654","","","0.71073","MoKα","","0.0937","0.0527","","","0.1228","0.1435","","","","","","1.037","","","","has coordinates,has disorder","240972","2020-10-21","18:00:00",""
"4130566","8.3664","0.0005","10.6963","0.0007","23.4901","0.0015","89.191","0.001","88.782","0.001","82.439","0.001","2083.2","0.2","100","0.1","100","0.1","","","","","","","","4","P -1","-P 1","2","holpg10","","","- C50 H66 Fe2 N4 -","- C50 H66 Fe2 N4 -","- C100 H132 Fe4 N8 -","2","1","","Bellows, Sarina M.; Arnet, Nicholas A.; Gurubasavaraj, Prabhuodeyara M.; Brennessel, William W.; Bill, Eckhard; Cundari, Thomas R.; Holland, Patrick L.","The Mechanism of N-N Double Bond Cleavage by an Iron(II) Hydride Complex.","Journal of the American Chemical Society","2016","138","37","12112","12123","10.1021/jacs.6b04654","","","0.71073","MoKα","","0.1005","0.0539","","","0.1166","0.1363","","","","","","1.019","","","","has coordinates,has disorder","240972","2020-10-21","18:00:00",""
"4130567","12.1883","0.0011","14.4703","0.0013","14.9963","0.0014","90","","91.732","0.002","90","","2643.7","0.4","100","0.1","100","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","holpg14","","","- C62 H76 Fe2 N6 -","- C62 H76 Fe2 N6 -","- C124 H152 Fe4 N12 -","2","0.5","","Bellows, Sarina M.; Arnet, Nicholas A.; Gurubasavaraj, Prabhuodeyara M.; Brennessel, William W.; Bill, Eckhard; Cundari, Thomas R.; Holland, Patrick L.","The Mechanism of N-N Double Bond Cleavage by an Iron(II) Hydride Complex.","Journal of the American Chemical Society","2016","138","37","12112","12123","10.1021/jacs.6b04654","","","0.71073","MoKα","","0.0907","0.0492","","","0.1084","0.1283","","","","","","1.018","","","","has coordinates","240972","2020-10-21","18:00:00",""
"4130568","17.139","0.002","19.714","0.003","20.122","0.003","90","","96.11","0.003","90","","6760.2","1.6","100","0.5","100","0.5","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","holsc30","","","- C79 H94 Fe2 N8 -","- C79 H94 Fe2 N8 -","- C316 H376 Fe8 N32 -","4","1","","Bellows, Sarina M.; Arnet, Nicholas A.; Gurubasavaraj, Prabhuodeyara M.; Brennessel, William W.; Bill, Eckhard; Cundari, Thomas R.; Holland, Patrick L.","The Mechanism of N-N Double Bond Cleavage by an Iron(II) Hydride Complex.","Journal of the American Chemical Society","2016","138","37","12112","12123","10.1021/jacs.6b04654","","","0.71073","MoKα","","0.0861","0.0504","","","0.1249","0.1375","","","","","","1.037","","","","has coordinates,has disorder","240972","2020-10-21","18:00:00",""
"4130569","6.2719","0.0002","9.7785","0.0003","10.0673","0.0004","115.426","0.001","93.829","0.001","100.896","0.001","539.9","0.03","100","","100","","","","","","","","","5","P 1","P 1","1","","","","- C23 H22 N2 O6 S -","- C23 H22 N2 O6 S -","- C23 H22 N2 O6 S -","1","1","","Xiao, Kai-Jiong; Chu, Ling; Chen, Gang; Yu, Jin-Quan","Kinetic Resolution of Benzylamines via Palladium(II)-Catalyzed C-H Cross-Coupling.","Journal of the American Chemical Society","2016","138","24","7796","7800","10.1021/jacs.6b04660","","x-ray","0.71073","MoKα","","0.0326","0.0299","","","0.0704","0.0719","","","","","","1.037","","","","has coordinates","240973","2020-10-21","18:00:00",""
"4130570","10.1941","0.0008","26.676","0.002","12.0718","0.0009","90","","113.107","0.001","90","","3019.4","0.4","100","2","100","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C54 H64 Cl F14 N7 O2 S2 -","- C54 H64 Cl F14 N7 O2 S2 -","- C108 H128 Cl2 F28 N14 O4 S4 -","2","1","","Ford, David D.; Lehnherr, Dan; Kennedy, C. Rose; Jacobsen, Eric N.","On- and Off-Cycle Catalyst Cooperativity in Anion-Binding Catalysis.","Journal of the American Chemical Society","2016","138","25","7860","7863","10.1021/jacs.6b04686","","","0.71073","MoKα","","0.0495","0.0399","","","0.084","0.0884","","","","","","1.026","","","","has coordinates,has disorder","240974","2020-10-21","18:00:00",""
"4130571","11.5955","0.0002","11.8094","0.0002","13.3744","0.0002","112.922","0.001","92.39","0.001","117.085","0.001","1447.26","0.05","100","2","100","2","","","","","","","","6","P 1","P 1","1","","","","- C56 H66 F14 N6 O2 S2 -","- C56 H66 F14 N6 O2 S2 -","- C56 H66 F14 N6 O2 S2 -","1","1","","Ford, David D.; Lehnherr, Dan; Kennedy, C. Rose; Jacobsen, Eric N.","On- and Off-Cycle Catalyst Cooperativity in Anion-Binding Catalysis.","Journal of the American Chemical Society","2016","138","25","7860","7863","10.1021/jacs.6b04686","","","1.54178","CuKα","","0.0543","0.0523","","","0.111","0.1287","","","","","","1.024","","","","has coordinates,has disorder","240974","2020-10-21","18:00:00",""
"4130572","13.1841","0.0003","20.3186","0.0004","20.8594","0.0004","104.092","0.001","101.305","0.001","100.497","0.001","5156.93","0.19","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C100 H104 F28 N12 O4 S4 -","- C99.999 H104 F27.997 N12 O4 S4 -","- C199.998 H208 F55.994 N24 O8 S8 -","2","1","","Ford, David D.; Lehnherr, Dan; Kennedy, C. Rose; Jacobsen, Eric N.","On- and Off-Cycle Catalyst Cooperativity in Anion-Binding Catalysis.","Journal of the American Chemical Society","2016","138","25","7860","7863","10.1021/jacs.6b04686","","","1.54178","CuKα","","0.0937","0.0789","","","0.1915","0.2057","","","","","","1.029","","","","has coordinates,has disorder","240974","2020-10-21","18:00:00",""
"4130573","22.6193","0.0006","12.2384","0.0003","29.5286","0.0007","90","","92.679","0.002","90","","8165.3","0.4","100","2","100","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C75 H78 F21 N9 O3 S3 -","- C75 H78 F21 N9 O3 S3 -","- C300 H312 F84 N36 O12 S12 -","4","1","","Ford, David D.; Lehnherr, Dan; Kennedy, C. Rose; Jacobsen, Eric N.","On- and Off-Cycle Catalyst Cooperativity in Anion-Binding Catalysis.","Journal of the American Chemical Society","2016","138","25","7860","7863","10.1021/jacs.6b04686","","","0.71073","MoKα","","0.0402","0.0354","","","0.0862","0.0887","","","","","","1.03","","","","has coordinates,has disorder","240974","2020-10-21","18:00:00",""
"4130574","21.9073","0.0011","10.2539","0.0005","15.4936","0.0008","90","","119.671","0.003","90","","3024.1","0.3","180","2","180","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C54 H64 Cl F14 N7 O4 -","- C54 H64 Cl F14 N7 O4 -","- C108 H128 Cl2 F28 N14 O8 -","2","0.5","","Ford, David D.; Lehnherr, Dan; Kennedy, C. Rose; Jacobsen, Eric N.","On- and Off-Cycle Catalyst Cooperativity in Anion-Binding Catalysis.","Journal of the American Chemical Society","2016","138","25","7860","7863","10.1021/jacs.6b04686","","","1.54178","CuKα","","0.0867","0.0783","","","0.193","0.2017","","","","","","1.096","","","","has coordinates,has disorder","240974","2020-10-21","18:00:00",""
"4130575","7.9663","0.0005","12.2238","0.0006","16.0261","0.001","90","","90","","90","","1560.6","0.16","100","","100","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H23 Br O3 -","- C16 H23 Br O3 -","- C64 H92 Br4 O12 -","4","1","","Martinez, Luisruben P.; Umemiya, Shigenobu; Wengryniuk, Sarah E.; Baran, Phil S.","11-Step Total Synthesis of Pallambins C and D.","Journal of the American Chemical Society","2016","138","24","7536","7539","10.1021/jacs.6b04816","","x-ray","0.71073","MoKα","","0.0456","0.0342","","","0.0611","0.0644","","","","","","1.017","","","","has coordinates","240975","2020-10-21","18:00:00",""
"4130576","7.8751","0.0003","13.4021","0.0007","13.2598","0.0007","90","","106.144","0.001","90","","1344.29","0.11","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C15 H20 O3 -","- C15 H20 O3 -","- C60 H80 O12 -","4","1","","Martinez, Luisruben P.; Umemiya, Shigenobu; Wengryniuk, Sarah E.; Baran, Phil S.","11-Step Total Synthesis of Pallambins C and D.","Journal of the American Chemical Society","2016","138","24","7536","7539","10.1021/jacs.6b04816","","","0.71073","MoKα","","0.0389","0.0362","","","0.0926","0.0957","","","","","","1.004","","","","has coordinates","240976","2020-10-21","18:00:00",""
"4130577","14.421","0.005","7.5148","0.0018","12.931","0.004","90","","103.204","0.01","90","","1364.3","0.7","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C15 H20 O3 -","- C15 H20 O3 -","- C60 H80 O12 -","4","1","","Martinez, Luisruben P.; Umemiya, Shigenobu; Wengryniuk, Sarah E.; Baran, Phil S.","11-Step Total Synthesis of Pallambins C and D.","Journal of the American Chemical Society","2016","138","24","7536","7539","10.1021/jacs.6b04816","","","0.71073","MoKα","","0.0601","0.0413","","","0.0975","0.1071","","","","","","1.026","","","","has coordinates","240977","2020-10-21","18:00:00",""
"4130578","45.3","0.0011","28.6539","0.0007","88.045","0.002","90","","90.94","0.002","90","","114269","5","230","2","230","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","Au72(SPhBu-t)44","","","- C440 H572 Au92 S44 -","- C440 H572 Au92 S44 -","- C3520 H4576 Au736 S352 -","8","1","","Zeng, Chenjie; Liu, Chong; Chen, Yuxiang; Rosi, Nathaniel L.; Jin, Rongchao","Atomic Structure of Self-Assembled Monolayer of Thiolates on a Tetragonal Au92 Nanocrystal.","Journal of the American Chemical Society","2016","138","28","8710","8713","10.1021/jacs.6b04835","","","1.54178","CuKα","","0.1682","0.108","","","0.3139","0.3737","","","","","","1.045","","","","has coordinates","240978","2020-10-21","18:00:00",""
"4130579","9.0894","0.0003","11.2642","0.0004","20.8038","0.0007","95.61","0.003","92.724","0.003","107.775","0.003","2011.86","0.12","150","2","150","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C24 H22 N2 Si -","- C24 H22 N2 Si -","- C96 H88 N8 Si4 -","4","2","","Chen, Qing-An; Klare, Hendrik F. T.; Oestreich, Martin","Brønsted Acid-Promoted Formation of Stabilized Silylium Ions for Catalytic Friedel-Crafts C-H Silylation.","Journal of the American Chemical Society","2016","138","25","7868","7871","10.1021/jacs.6b04878","","x-ray","1.54184","CuKα","","0.0451","0.0414","","","0.1056","0.1089","","","","","","1.02","","","","has coordinates","240979","2020-10-21","18:00:00",""
"4130580","9.9746","0.0011","23.085","0.003","16.7399","0.0019","90","","90.299","0.011","90","","3854.5","0.8","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C73 H22 O -","- C73 H22 O -","- C292 H88 O4 -","4","1","","Wu, Xin-Zhou; Yao, Yang-Rong; Chen, Miao-Miao; Tian, Han-Rui; Xiao, Jun; Xu, Yun-Yan; Lin, Min-Song; Abella, Laura; Tian, Cheng-Bo; Gao, Cong-Li; Zhang, Qianyan; Xie, Su-Yuan; Huang, Rong-Bin; Zheng, Lan-Sun","Formation of Curvature Subunit of Carbon in Combustion.","Journal of the American Chemical Society","2016","138","30","9629","9633","10.1021/jacs.6b04898","","","1.54178","CuKα","","0.1772","0.0924","","","0.2336","0.3086","","","","","","0.999","","","","has coordinates,has disorder","240980","2020-10-21","18:00:00",""
"4130581","17.796","0.003","11.1352","0.0017","4.5144","0.0006","90","","90","","90","","894.6","0.2","99.97","0.11","99.97","0.11","","","","","","","","6","P n a m","-P 2c 2n","62","","","","- C2 H6 I2 O2 Pb S -","- C2 H6 I2 O2 Pb S -","- C8 H24 I8 O8 Pb4 S4 -","4","0.5","","Cao, Jing; Jing, Xiaojing; Yan, Juanzhu; Hu, Chengyi; Chen, Ruihao; Yin, Jun; Li, Jing; Zheng, Nanfeng","Identifying the Molecular Structures of Intermediates for Optimizing the Fabrication of High-Quality Perovskite Films.","Journal of the American Chemical Society","2016","138","31","9919","9926","10.1021/jacs.6b04924","","x-ray","0.71","MoKα","","0.1052","0.0617","","","0.1171","0.1406","","","","","","1.102","","","","has coordinates,has disorder","240981","2020-10-21","18:00:00",""
"4130582","20.641","0.002","12.4157","0.0009","19.0841","0.0019","90","","113.122","0.012","90","","4497.9","0.8","100.01","0.1","100.01","0.1","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C5 H25 I5 N3 O Pb S -","- C5 H24 I5 N3 O Pb S -","- C40 H192 I40 N24 O8 Pb8 S8 -","8","1","","Cao, Jing; Jing, Xiaojing; Yan, Juanzhu; Hu, Chengyi; Chen, Ruihao; Yin, Jun; Li, Jing; Zheng, Nanfeng","Identifying the Molecular Structures of Intermediates for Optimizing the Fabrication of High-Quality Perovskite Films.","Journal of the American Chemical Society","2016","138","31","9919","9926","10.1021/jacs.6b04924","","x-ray","1.54184","CuKα","","0.1056","0.0827","","","0.2","0.229","","","","","","1.18","","","","has coordinates","240982","2020-10-21","18:00:00",""
"4130583","4.6212","0.0006","27.219","0.007","26.841","0.004","90","","90","","90","","3376.2","1.1","100.01","0.1","100.01","0.1","","","","","","","","7","P b c 21","P 2c -2b","29","","","","- C6 H26 I8 N2 O2 Pb3 S2 -","- C6 H24 I8 N2 O2 Pb3 S2 -","- C24 H96 I32 N8 O8 Pb12 S8 -","4","1","","Cao, Jing; Jing, Xiaojing; Yan, Juanzhu; Hu, Chengyi; Chen, Ruihao; Yin, Jun; Li, Jing; Zheng, Nanfeng","Identifying the Molecular Structures of Intermediates for Optimizing the Fabrication of High-Quality Perovskite Films.","Journal of the American Chemical Society","2016","138","31","9919","9926","10.1021/jacs.6b04924","","x-ray","0.71","MoKα","","0.0915","0.0602","","","0.1566","0.1809","","","","","","1.06","","","","has coordinates","240983","2020-10-21","18:00:00",""
"4130584","4.53212","0.00012","18.2385","0.0005","11.5566","0.0004","90","","92.661","0.003","90","","954.23","0.05","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C3 H7 I2 N O Pb -","- C3 H7 I2 N O Pb -","- C12 H28 I8 N4 O4 Pb4 -","4","1","","Cao, Jing; Jing, Xiaojing; Yan, Juanzhu; Hu, Chengyi; Chen, Ruihao; Yin, Jun; Li, Jing; Zheng, Nanfeng","Identifying the Molecular Structures of Intermediates for Optimizing the Fabrication of High-Quality Perovskite Films.","Journal of the American Chemical Society","2016","138","31","9919","9926","10.1021/jacs.6b04924","","","0.71073","MoKα","","0.0421","0.038","","","0.0843","0.088","","","","","","1.048","","","","has coordinates","240984","2020-10-21","18:00:00",""
"4130585","13.6978","0.0004","10.8575","0.0004","8.7607","0.0003","90","","90","","90","","1302.93","0.08","100.01","0.1","100.01","0.1","","","","","","","","6","P c c n","-P 2ab 2ac","56","","","","- C4 H12 I2 O2 Pb S2 -","- C4 H12 I2 O2 Pb S2 -","- C16 H48 I8 O8 Pb4 S8 -","4","0.5","","Cao, Jing; Jing, Xiaojing; Yan, Juanzhu; Hu, Chengyi; Chen, Ruihao; Yin, Jun; Li, Jing; Zheng, Nanfeng","Identifying the Molecular Structures of Intermediates for Optimizing the Fabrication of High-Quality Perovskite Films.","Journal of the American Chemical Society","2016","138","31","9919","9926","10.1021/jacs.6b04924","","","0.71073","MoKα","","0.0307","0.0274","","","0.064","0.0663","","","","","","1.07","","","","has coordinates","240985","2020-10-21","18:00:00",""
"4130586","8.572","0.0001","11.0335","0.0001","17.8845","0.0002","90","","90","","90","","1691.5","0.03","130","","130","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C21 H17 N O3 -","- C21 H17 N O3 -","- C84 H68 N4 O12 -","4","1","","Ni, Chunjie; Tong, Xiaofeng","Amine-Catalyzed Asymmetric (3 + 3) Annulations of β'-Acetoxy Allenoates: Enantioselective Synthesis of 4H-Pyrans.","Journal of the American Chemical Society","2016","138","25","7872","7875","10.1021/jacs.6b04935","","","1.54178","CuKα","","0.0282","0.028","","","0.0738","0.074","","","","","","1.072","","","","has coordinates","240986","2020-10-21","18:00:00",""
"4130587","14.7436","0.0011","20.14","0.0012","27.3915","0.0019","90","","104.347","0.005","90","","7879.9","0.9","296","2","296.15","","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C22 H19 Br N2 O3 -","- C22 H19 Br N2 O3 -","- C352 H304 Br16 N32 O48 -","16","4","","Ni, Chunjie; Tong, Xiaofeng","Amine-Catalyzed Asymmetric (3 + 3) Annulations of β'-Acetoxy Allenoates: Enantioselective Synthesis of 4H-Pyrans.","Journal of the American Chemical Society","2016","138","25","7872","7875","10.1021/jacs.6b04935","","","1.54178","CuKα","","0.0872","0.0686","","","0.1658","0.1809","","","","","","1.048","","","","has coordinates","240987","2020-10-21","18:00:00",""
"4130588","13.8029","0.0002","24.1019","0.0004","24.1387","0.0003","114.836","0.0007","97.8836","0.0007","103.484","0.0005","6830.69","0.18","100","","100","","","","","","","","","3","P -1","-P 1","2","","","","- C220 H230 N10 -","- C220 H230 N10 -","- C220 H230 N10 -","1","0.5","","Okujima, Tetsuo; Ando, Chie; Agrawal, Saurabh; Matsumoto, Hiroki; Mori, Shigeki; Ohara, Keishi; Hisaki, Ichiro; Nakae, Takahiro; Takase, Masayoshi; Uno, Hidemitsu; Kobayashi, Nagao","Template Synthesis of Decaphyrin without Meso-Bridges: Cyclo[10]pyrrole.","Journal of the American Chemical Society","2016","138","24","7540","7543","10.1021/jacs.6b04941","","","0.8","synchrotron","","0.13","0.113","","","0.2844","0.2909","","","","","","1.206","","","","has coordinates,has disorder","240988","2020-10-21","18:00:00",""
"4130589","13.6161","0.0001","23.9402","0.0003","24.0353","0.0003","113.847","0.0007","105.411","0.0005","96.269","0.0005","6696.56","0.14","296","","296","","","","","","","","","4","P -1","-P 1","2","","","","- C225 H230 N10 O5 -","- C225 H230 N10 O5 -","- C225 H230 N10 O5 -","1","0.5","","Okujima, Tetsuo; Ando, Chie; Agrawal, Saurabh; Matsumoto, Hiroki; Mori, Shigeki; Ohara, Keishi; Hisaki, Ichiro; Nakae, Takahiro; Takase, Masayoshi; Uno, Hidemitsu; Kobayashi, Nagao","Template Synthesis of Decaphyrin without Meso-Bridges: Cyclo[10]pyrrole.","Journal of the American Chemical Society","2016","138","24","7540","7543","10.1021/jacs.6b04941","","","0.8","synchrotron","","0.1064","0.0961","","","0.2377","0.2431","","","","","","0.932","","","","has coordinates,has disorder","240989","2020-10-21","18:00:00",""
"4130590","19.1189","0.0005","19.7795","0.0006","45.0588","0.0012","90","","93.421","0.002","90","","17009.2","0.8","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C150 H177 F36 N19 O20 P6 -","- C150 H177 F36.012 N19 O20 P6.002 -","- C600 H708 F144.048 N76 O80 P24.008 -","4","1","","Fernando, Isurika R.; Frasconi, Marco; Wu, Yilei; Liu, Wei-Guang; Wasielewski, Michael R.; Goddard, 3rd, William A; Stoddart, J. Fraser","Sliding-Ring Catenanes.","Journal of the American Chemical Society","2016","138","32","10214","10225","10.1021/jacs.6b04982","","","1.54178","CuKα","","0.0916","0.0749","","","0.2042","0.213","","","","","","1.041","","","","has coordinates","240990","2020-10-21","18:00:00",""
"4130591","20.1201","0.0009","26.1627","0.0012","26.488","0.0012","87.674","0.003","69.262","0.002","78.983","0.003","12793.9","1","100","2","100.01","","","","","","","","","4","P -1","-P 1","2","","","","- C298 H338 N16 O41 -","- C298 H338 N16 O41 -","- C596 H676 N32 O82 -","2","1","","Fernando, Isurika R.; Frasconi, Marco; Wu, Yilei; Liu, Wei-Guang; Wasielewski, Michael R.; Goddard, 3rd, William A; Stoddart, J. Fraser","Sliding-Ring Catenanes.","Journal of the American Chemical Society","2016","138","32","10214","10225","10.1021/jacs.6b04982","","","1.54178","CuKα","","0.1261","0.0849","","","0.2244","0.2608","","","","","","1.034","","","","has coordinates,has disorder","240991","2020-10-21","18:00:00",""
"4130592","21.9335","0.0005","13.4484","0.0003","27.6224","0.0006","90","","113.137","0.0007","90","","7492.5","0.3","100","2","100.03","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C76 H82 F18 N6 O10 P3 -","- C76 H82 F18 N6 O10 P3 -","- C304 H328 F72 N24 O40 P12 -","4","0.5","","Fernando, Isurika R.; Frasconi, Marco; Wu, Yilei; Liu, Wei-Guang; Wasielewski, Michael R.; Goddard, 3rd, William A; Stoddart, J. Fraser","Sliding-Ring Catenanes.","Journal of the American Chemical Society","2016","138","32","10214","10225","10.1021/jacs.6b04982","","","1.54178","CuKα","","0.0411","0.0408","","","0.1037","0.1039","","","","","","1.047","","","","has coordinates,has disorder","240992","2020-10-21","18:00:00",""
"4130593","13.9493","0.0008","48.567","0.003","10.9451","0.0005","90","","112.934","0.003","90","","6828.9","0.7","100","2","99.99","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C76 H82 N6 O10 -","- C76 H82 N6 O10 -","- C304 H328 N24 O40 -","4","1","","Fernando, Isurika R.; Frasconi, Marco; Wu, Yilei; Liu, Wei-Guang; Wasielewski, Michael R.; Goddard, 3rd, William A; Stoddart, J. Fraser","Sliding-Ring Catenanes.","Journal of the American Chemical Society","2016","138","32","10214","10225","10.1021/jacs.6b04982","","","1.54178","CuKα","","0.1465","0.1095","","","0.2433","0.2595","","","","","","1.067","","","","has coordinates,has disorder","240993","2020-10-21","18:00:00",""
"4130594","13.6489","0.0004","13.6489","0.0004","7.9023","0.0003","90","","90","","120","","1274.91","0.07","296","2","296","2","","","","","","","","6","P 3","P 3","143","[QT][GaBr4]","","","- C6 Br4 Cl2 Ga N2 S4 -","- C6 Br4 Cl2 Ga N2 S4 -","- C18 Br12 Cl6 Ga3 N6 S12 -","3","1","","Postulka, Lars; Winter, Stephen M.; Mihailov, Adam G.; Mailman, Aaron; Assoud, Abdeljalil; Robertson, Craig M.; Wolf, Bernd; Lang, Michael; Oakley, Richard T.","Spin Frustration in an Organic Radical Ion Salt Based on a Kagome-Coupled Chain Structure.","Journal of the American Chemical Society","2016","138","34","10738","10741","10.1021/jacs.6b05079","","","0.71073","MoKα","","0.0695","0.0436","","","0.079","0.0866","","","","","","1.105","","","","has coordinates","240994","2020-10-21","18:00:00",""
"4130595","7.2513","0.0009","9.3654","0.0013","20.598","0.003","95.768","0.006","98.328","0.007","104.441","0.006","1326.7","0.3","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C30 H33 N5 O2 -","- C30 H33 N5 O2 -","- C60 H66 N10 O4 -","2","1","","Gallagher, Nolan M.; Bauer, Jackson J.; Pink, Maren; Rajca, Suchada; Rajca, Andrzej","High-Spin Organic Diradical with Robust Stability.","Journal of the American Chemical Society","2016","138","30","9377","9380","10.1021/jacs.6b05080","","","0.71073","MoKα","","0.205","0.0687","","","0.1368","0.1903","","","","","","0.911","","","","has coordinates","240995","2020-10-21","18:00:00",""
"4130596","14.855","0.003","4.084","0.0008","22.985","0.005","90","","96.594","0.009","90","","1385.2","0.5","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","2-BROMO BENZOIC ACID","","","- C7 H5 Br O2 -","- C7 H5 Br O2 -","- C56 H40 Br8 O16 -","8","1","","Krishna, Gamidi Rama; Devarapalli, Ramesh; Lal, Garima; Reddy, C. Malla","Mechanically Flexible Organic Crystals Achieved by Introducing Weak Interactions in Structure: Supramolecular Shape Synthons.","Journal of the American Chemical Society","2016","138","41","13561","13567","10.1021/jacs.6b05118","","","0.71073","MoKα","","0.0542","0.0297","","","0.0603","0.0677","","","","","","1.02","","","","has coordinates","240996","2020-10-21","18:00:00",""
"4130597","3.7527","0.0007","6.2589","0.0013","30.957","0.006","90","","90.871","0.004","90","","727","0.2","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","3,4-dichloro benzoic acid","","","- C7 H4 Cl2 O2 -","- C7 H4 Cl2 O2 -","- C28 H16 Cl8 O8 -","4","1","","Krishna, Gamidi Rama; Devarapalli, Ramesh; Lal, Garima; Reddy, C. Malla","Mechanically Flexible Organic Crystals Achieved by Introducing Weak Interactions in Structure: Supramolecular Shape Synthons.","Journal of the American Chemical Society","2016","138","41","13561","13567","10.1021/jacs.6b05118","","","0.71073","MoKα","","0.0616","0.0522","","","0.1556","0.1617","","","","","","1.087","","","","has coordinates","240997","2020-10-21","18:00:00",""
"4130598","14.781","0.004","3.8619","0.001","27.042","0.007","90","","101.453","0.01","90","","1512.9","0.7","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","2,3-dichloro benzoic acid","","","- C7 H4 Cl2 O2 -","- C7 H4 Cl2 O2 -","- C56 H32 Cl16 O16 -","8","1","","Krishna, Gamidi Rama; Devarapalli, Ramesh; Lal, Garima; Reddy, C. Malla","Mechanically Flexible Organic Crystals Achieved by Introducing Weak Interactions in Structure: Supramolecular Shape Synthons.","Journal of the American Chemical Society","2016","138","41","13561","13567","10.1021/jacs.6b05118","","","0.71073","MoKα","","0.0665","0.0418","","","0.092","0.1027","","","","","","1.043","","","","has coordinates","240998","2020-10-21","18:00:00",""
"4130599","14.706","0.005","3.8955","0.0012","23.968","0.007","90","","101.413","0.013","90","","1345.9","0.7","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","2-CHLORO BENZOIC ACID","","","- C7 H5 Cl O2 -","- C7 H5 Cl O2 -","- C56 H40 Cl8 O16 -","8","1","","Krishna, Gamidi Rama; Devarapalli, Ramesh; Lal, Garima; Reddy, C. Malla","Mechanically Flexible Organic Crystals Achieved by Introducing Weak Interactions in Structure: Supramolecular Shape Synthons.","Journal of the American Chemical Society","2016","138","41","13561","13567","10.1021/jacs.6b05118","","","0.71073","MoKα","","0.0497","0.0385","","","0.0878","0.0938","","","","","","1.124","","","","has coordinates","240999","2020-10-21","18:00:00",""
"4130600","5.3117","0.0013","4.9506","0.0012","28.881","0.007","90","","92.615","0.006","90","","758.7","0.3","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","3,4-DICHLORO BENZAMIDE","","","- C7 H5 Cl2 N O -","- C7 H5 Cl2 N O -","- C28 H20 Cl8 N4 O4 -","4","1","","Krishna, Gamidi Rama; Devarapalli, Ramesh; Lal, Garima; Reddy, C. Malla","Mechanically Flexible Organic Crystals Achieved by Introducing Weak Interactions in Structure: Supramolecular Shape Synthons.","Journal of the American Chemical Society","2016","138","41","13561","13567","10.1021/jacs.6b05118","","","0.71073","MoKα","","0.0474","0.0326","","","0.0729","0.0797","","","","","","1.049","","","","has coordinates","241001","2020-10-21","18:00:00",""
"4130601","7.143","0.002","9.196","0.003","21.941","0.007","90.307","0.005","99.162","0.005","91.812","0.006","1422.1","0.8","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C36 H28 N2 O4 -","- C36 H28 N2 O4 -","- C72 H56 N4 O8 -","2","1","","Krishna, Gamidi Rama; Devarapalli, Ramesh; Lal, Garima; Reddy, C. Malla","Mechanically Flexible Organic Crystals Achieved by Introducing Weak Interactions in Structure: Supramolecular Shape Synthons.","Journal of the American Chemical Society","2016","138","41","13561","13567","10.1021/jacs.6b05118","","","0.71073","MoKα","","0.1997","0.0758","","","0.2282","0.3299","","","","","","0.884","","","","has coordinates","241002","2020-10-21","18:00:00",""
"4130602","4.6215","0.0015","8.019","0.003","17.024","0.006","90","","93.99","0.008","90","","629.4","0.4","100","","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","N,N'-bis(methyl)-1,4,5,8-naphthalenediimide","","","- C16 H10 N2 O4 -","- C16 H10 N2 O4 -","- C32 H20 N4 O8 -","2","0.5","","Krishna, Gamidi Rama; Devarapalli, Ramesh; Lal, Garima; Reddy, C. Malla","Mechanically Flexible Organic Crystals Achieved by Introducing Weak Interactions in Structure: Supramolecular Shape Synthons.","Journal of the American Chemical Society","2016","138","41","13561","13567","10.1021/jacs.6b05118","","","0.71073","MoKα","","0.0759","0.0441","","","0.1354","0.1636","","","","","","1.016","","","","has coordinates","241003","2020-10-21","18:00:00",""
"4130603","13.605","0.004","7.147","0.003","28.422","0.01","90","","94.298","0.007","90","","2755.8","1.7","298","2","298","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C16 H17 N O2 -","- C16 H17 N O2 -","- C128 H136 N8 O16 -","8","2","","Krishna, Gamidi Rama; Devarapalli, Ramesh; Lal, Garima; Reddy, C. Malla","Mechanically Flexible Organic Crystals Achieved by Introducing Weak Interactions in Structure: Supramolecular Shape Synthons.","Journal of the American Chemical Society","2016","138","41","13561","13567","10.1021/jacs.6b05118","","","0.71073","MoKα","","0.2067","0.1201","","","0.2671","0.3025","","","","","","1.158","","","","has coordinates","241004","2020-10-21","18:00:00",""
"4130604","6.9622","0.0004","17.2426","0.0011","27.5809","0.0015","90","","90","","90","","3311","0.3","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C20 H18 N2 O4 -","- C20 H18 N2 O4 -","- C160 H144 N16 O32 -","8","1","","Krishna, Gamidi Rama; Devarapalli, Ramesh; Lal, Garima; Reddy, C. Malla","Mechanically Flexible Organic Crystals Achieved by Introducing Weak Interactions in Structure: Supramolecular Shape Synthons.","Journal of the American Chemical Society","2016","138","41","13561","13567","10.1021/jacs.6b05118","","","0.71073","MoKα","","0.0534","0.0415","","","0.1081","0.1181","","","","","","1.056","","","","has coordinates","241005","2020-10-21","18:00:00",""
"4130605","8.04","0.003","4.3235","0.0011","29.008","0.009","90","","92.363","0.007","90","","1007.5","0.6","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","N,N-bis(p-methyl phenyl)-1,4,5,8-naphthalenediimide","","","- C28 H18 N2 O4 -","- C28 H18 N2 O4 -","- C56 H36 N4 O8 -","2","0.5","","Krishna, Gamidi Rama; Devarapalli, Ramesh; Lal, Garima; Reddy, C. Malla","Mechanically Flexible Organic Crystals Achieved by Introducing Weak Interactions in Structure: Supramolecular Shape Synthons.","Journal of the American Chemical Society","2016","138","41","13561","13567","10.1021/jacs.6b05118","","","0.71073","MoKα","","0.1389","0.0625","","","0.1381","0.1758","","","","","","0.965","","","","has coordinates","241006","2020-10-21","18:00:00",""
"4130606","12.9943","0.0014","9.4749","0.0014","8.0539","0.001","90","","93.777","0.01","90","","989.4","0.2","99.98","0.12","99.98","0.12","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C11 H15 N O -","- C11 H15 N O -","- C44 H60 N4 O4 -","4","1","","Krishna, Gamidi Rama; Devarapalli, Ramesh; Lal, Garima; Reddy, C. Malla","Mechanically Flexible Organic Crystals Achieved by Introducing Weak Interactions in Structure: Supramolecular Shape Synthons.","Journal of the American Chemical Society","2016","138","41","13561","13567","10.1021/jacs.6b05118","","x-ray","0.71073","MoKα","","0.1284","0.1196","","","0.3206","0.3249","","","","","","1.178","","","","has coordinates","241007","2020-10-21","18:00:00",""
"4130607","19.4469","0.0005","9.7388","0.0003","16.3359","0.0004","90","","90","","90","","3093.85","0.15","296","2","296","2","","","","","","","","4","P n 21 a","P -2ac -2n","33","","","","- C18 H21 N O2 -","- C18 H21 N O2 -","- C144 H168 N8 O16 -","8","2","","Krishna, Gamidi Rama; Devarapalli, Ramesh; Lal, Garima; Reddy, C. Malla","Mechanically Flexible Organic Crystals Achieved by Introducing Weak Interactions in Structure: Supramolecular Shape Synthons.","Journal of the American Chemical Society","2016","138","41","13561","13567","10.1021/jacs.6b05118","","","0.71073","MoKα","","0.0641","0.0519","","","0.1199","0.1279","","","","","","1.072","","","","has coordinates","241008","2020-10-21","18:00:00",""
"4130608","4.8497","0.0005","12.3971","0.0011","22.147","0.002","77.914","0.006","87.481","0.006","85.096","0.005","1296.8","0.2","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C15 H15 N O3 -","- C15 H15 N O3 -","- C60 H60 N4 O12 -","4","2","","Krishna, Gamidi Rama; Devarapalli, Ramesh; Lal, Garima; Reddy, C. Malla","Mechanically Flexible Organic Crystals Achieved by Introducing Weak Interactions in Structure: Supramolecular Shape Synthons.","Journal of the American Chemical Society","2016","138","41","13561","13567","10.1021/jacs.6b05118","","","0.71073","MoKα","","0.087","0.0676","","","0.158","0.1724","","","","","","1.078","","","","has coordinates","241009","2020-10-21","18:00:00",""
"4130609","10.3758","0.0003","13.2372","0.0004","19.6596","0.0005","90","","101.896","0.003","90","","2642.19","0.13","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C24 H44 N O2 P2 Rh -","- C24 H44 N O2 P2 Rh -","- C96 H176 N4 O8 P8 Rh4 -","4","1","","Anaby, Aviel; Feller, Moran; Ben-David, Yehoshoa; Leitus, Gregory; Diskin-Posner, Yael; Shimon, Linda J. W.; Milstein, David","Bottom-Up Construction of a CO2-Based Cycle for the Photocarbonylation of Benzene, Promoted by a Rhodium(I) Pincer Complex.","Journal of the American Chemical Society","2016","138","31","9941","9950","10.1021/jacs.6b05128","","","0.71073","MoKα","","0.0361","0.0277","","","0.0589","0.0608","","","","","","0.96","","","","has coordinates,has disorder","241010","2020-10-21","18:00:00",""
"4130610","11.417","0.002","29.009","0.005","15.317","0.003","90","","90","","90","","5072.9","1.6","100","2","100","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C24 H42 N O P2 Rh -","- C24 H42 N O P2 Rh -","- C192 H336 N8 O8 P16 Rh8 -","8","2","","Anaby, Aviel; Feller, Moran; Ben-David, Yehoshoa; Leitus, Gregory; Diskin-Posner, Yael; Shimon, Linda J. W.; Milstein, David","Bottom-Up Construction of a CO2-Based Cycle for the Photocarbonylation of Benzene, Promoted by a Rhodium(I) Pincer Complex.","Journal of the American Chemical Society","2016","138","31","9941","9950","10.1021/jacs.6b05128","","","0.71073","MoKα","","0.0447","0.0352","","","0.0772","0.0822","","","","","","0.987","","","","has coordinates,has disorder","241010","2020-10-21","18:00:00",""
"4130611","10.532","0.002","17.22","0.003","17.597","0.004","93.68","0.03","106.38","0.03","91.7","0.03","3051.8","1.2","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C30 H48 N O P2 Rh -","- C30 H48 N O P2 Rh -","- C120 H192 N4 O4 P8 Rh4 -","4","2","","Anaby, Aviel; Feller, Moran; Ben-David, Yehoshoa; Leitus, Gregory; Diskin-Posner, Yael; Shimon, Linda J. W.; Milstein, David","Bottom-Up Construction of a CO2-Based Cycle for the Photocarbonylation of Benzene, Promoted by a Rhodium(I) Pincer Complex.","Journal of the American Chemical Society","2016","138","31","9941","9950","10.1021/jacs.6b05128","","","0.71073","MoKα","","0.0391","0.0275","","","0.0575","0.0626","","","","","","1.022","","","","has coordinates","241010","2020-10-21","18:00:00",""
"4130612","16.7779","0.0011","16.331","0.001","27.0224","0.0015","90","","117.771","0.003","90","","6551.3","0.7","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C30 H50 N O3 P2 Rh S -","- C30 H50 N O3 P2 Rh S -","- C240 H400 N8 O24 P16 Rh8 S8 -","8","2","","Anaby, Aviel; Feller, Moran; Ben-David, Yehoshoa; Leitus, Gregory; Diskin-Posner, Yael; Shimon, Linda J. W.; Milstein, David","Bottom-Up Construction of a CO2-Based Cycle for the Photocarbonylation of Benzene, Promoted by a Rhodium(I) Pincer Complex.","Journal of the American Chemical Society","2016","138","31","9941","9950","10.1021/jacs.6b05128","","","0.71073","MoKα","","0.111","0.0511","","","0.0882","0.108","","","","","","1.004","","","","has coordinates,has disorder","241010","2020-10-21","18:00:00",""
"4130613","14.0248","0.0012","19.7867","0.0017","24.657","0.002","110.651","0.002","95.629","0.002","97.244","0.002","6276.3","0.9","90","","90","","","","","","","","","8","P -1","-P 1","2","","iridium vinyloxy","","- C60 H56 B F24 Ir N O3 P -","- C60 H56 B F24 Ir N O3 P -","- C240 H224 B4 F96 Ir4 N4 O12 P4 -","4","2","","Drover, Marcus W.; Love, Jennifer A.; Schafer, Laurel L.","Toward anti-Markovnikov 1-Alkyne O-Phosphoramidation: Exploiting Metal-Ligand Cooperativity in a 1,3-N,O-Chelated Cp*Ir(III) Complex.","Journal of the American Chemical Society","2016","138","27","8396","8399","10.1021/jacs.6b05143","","","0.71073","MoKα","","0.0695","0.0397","","","0.0837","0.0956","","","","","","1.058","","","","has coordinates,has disorder","241012","2020-10-21","18:00:00",""
"4130614","23.0081","0.001","20.1658","0.0008","12.8557","0.0006","90","","90","","90","","5964.7","0.4","90","","90","","","","","","","","","9","P n a 21","P 2c -2n","33","","pentamethylcyclopentadienylrhodium(III)phosphoramidatebarf","","- C55 H48 B Cl2 F24 N O3 P Rh -","- C55 H48 B Cl2 F24 N O3 P Rh -","- C220 H192 B4 Cl8 F96 N4 O12 P4 Rh4 -","4","1","","Drover, Marcus W.; Love, Jennifer A.; Schafer, Laurel L.","Toward anti-Markovnikov 1-Alkyne O-Phosphoramidation: Exploiting Metal-Ligand Cooperativity in a 1,3-N,O-Chelated Cp*Ir(III) Complex.","Journal of the American Chemical Society","2016","138","27","8396","8399","10.1021/jacs.6b05143","","x-ray","0.71073","MoKα","","0.0522","0.0411","","","0.0984","0.1085","","","","","","0.98","","","","has coordinates,has disorder","241012","2020-10-21","18:00:00",""
"4130615","17.1931","0.0014","20.3353","0.0017","19.7277","0.0016","90","","99.808","0.002","90","","6796.5","1","90","","90","","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","iridium vinyloxy 2","","- C66 H60 B F24 Ir N O3 P -","- C66 H60 B F24 Ir N O3 P -","- C264 H240 B4 F96 Ir4 N4 O12 P4 -","4","1","","Drover, Marcus W.; Love, Jennifer A.; Schafer, Laurel L.","Toward anti-Markovnikov 1-Alkyne O-Phosphoramidation: Exploiting Metal-Ligand Cooperativity in a 1,3-N,O-Chelated Cp*Ir(III) Complex.","Journal of the American Chemical Society","2016","138","27","8396","8399","10.1021/jacs.6b05143","","","0.71073","MoKα","","0.0943","0.0695","","","0.1305","0.1476","","","","","","1.129","","","","has coordinates,has disorder","241012","2020-10-21","18:00:00",""
"4130616","9.898","0.005","19.451","0.009","9.138","0.005","90","","99.47","0.009","90","","1735.3","1.5","90","","90","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","N-2,6-dimethylphenyl O-ethoxy, O-vinylphenyl phosphoramidate","","- C18 H22 N O3 P -","- C18 H22 N O3 P -","- C72 H88 N4 O12 P4 -","4","1","","Drover, Marcus W.; Love, Jennifer A.; Schafer, Laurel L.","Toward anti-Markovnikov 1-Alkyne O-Phosphoramidation: Exploiting Metal-Ligand Cooperativity in a 1,3-N,O-Chelated Cp*Ir(III) Complex.","Journal of the American Chemical Society","2016","138","27","8396","8399","10.1021/jacs.6b05143","","","0.71073","MoKα","","0.0922","0.0487","","","0.1132","0.1392","","","","","","1.029","","","","has coordinates","241012","2020-10-21","18:00:00",""
"4130617","7.8217","0.0007","6.0909","0.0005","14.503","0.0012","90","","91.2816","0.0017","90","","690.77","0.1","150","2","150","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C17 H14 Br N O -","- C17 H14 Br N O -","- C34 H28 Br2 N2 O2 -","2","1","","Zhao, Chenfei; Chen, Shawn B.; Seidel, Daniel","Direct Formation of Oxocarbenium Ions under Weakly Acidic Conditions: Catalytic Enantioselective Oxa-Pictet-Spengler Reactions.","Journal of the American Chemical Society","2016","138","29","9053","9056","10.1021/jacs.6b05225","","","0.71073","MoKα","","0.048","0.0377","","","0.0715","0.0741","","","","","","1.199","","","","has coordinates","241013","2020-10-21","18:00:00",""
"4130618","12.5594","0.0004","17.4038","0.0005","20.1905","0.0006","90","","102.08","0.003","90","","4315.5","0.2","150","2","150.15","","","","","","","","","8","P 1 n 1","P -2yac","7","","","","- C89 H89 B F24 N4 O Ru Zn -","- C89 H89 B F24 N4 O Ru Zn -","- C178 H178 B2 F48 N8 O2 Ru2 Zn2 -","2","1","","Riddlestone, Ian M.; Rajabi, Nasir A.; Lowe, John P.; Mahon, Mary F.; Macgregor, Stuart A.; Whittlesey, Michael K.","Activation of H2 over the Ru-Zn Bond in the Transition Metal-Lewis Acid Heterobimetallic Species [Ru(IPr)2(CO)ZnEt](.).","Journal of the American Chemical Society","2016","138","35","11081","11084","10.1021/jacs.6b05243","","x-ray","0.71073","MoKα","","0.0533","0.042","","","0.074","0.0783","","","","","","1.026","","","","has coordinates,has disorder","241014","2020-10-21","18:00:00",""
"4130619","17.00002","0.00008","25.77166","0.00011","20.59225","0.00009","90","","100.064","0.0004","90","","8883.02","0.07","150","0.1","150","0.1","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C89 H93 B F24 N4 O Ru Zn -","- C89 H93 B F24 N4 O Ru Zn -","- C356 H372 B4 F96 N16 O4 Ru4 Zn4 -","4","1","","Riddlestone, Ian M.; Rajabi, Nasir A.; Lowe, John P.; Mahon, Mary F.; Macgregor, Stuart A.; Whittlesey, Michael K.","Activation of H2 over the Ru-Zn Bond in the Transition Metal-Lewis Acid Heterobimetallic Species [Ru(IPr)2(CO)ZnEt](.).","Journal of the American Chemical Society","2016","138","35","11081","11084","10.1021/jacs.6b05243","","x-ray","1.54184","CuKα","","0.0406","0.0377","","","0.0958","0.0983","","","","","","1.028","","","","has coordinates,has disorder","241014","2020-10-21","18:00:00",""
"4130620","16.96745","0.00008","25.70693","0.0001","20.56727","0.00009","90","","98.9877","0.0004","90","","8860.91","0.07","150.01","0.1","150.01","0.1","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C89 H91 B F24 N4 O Ru Zn -","- C89 H91 B F24 N4 O Ru Zn -","- C356 H364 B4 F96 N16 O4 Ru4 Zn4 -","4","1","","Riddlestone, Ian M.; Rajabi, Nasir A.; Lowe, John P.; Mahon, Mary F.; Macgregor, Stuart A.; Whittlesey, Michael K.","Activation of H2 over the Ru-Zn Bond in the Transition Metal-Lewis Acid Heterobimetallic Species [Ru(IPr)2(CO)ZnEt](.).","Journal of the American Chemical Society","2016","138","35","11081","11084","10.1021/jacs.6b05243","","x-ray","1.54184","CuKα","","0.0435","0.0413","","","0.1068","0.109","","","","","","1.037","","","","has coordinates,has disorder","241014","2020-10-21","18:00:00",""
"4130621","21.04374","0.00012","20.82587","0.00009","22.77178","0.00013","90","","116.888","0.0007","90","","8900.96","0.1","150","2","150.01","0.1","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C89 H92 B F24 N5 O Ru Zn -","- C89 H92 B F24 N5 O Ru Zn -","- C356 H368 B4 F96 N20 O4 Ru4 Zn4 -","4","1","","Riddlestone, Ian M.; Rajabi, Nasir A.; Lowe, John P.; Mahon, Mary F.; Macgregor, Stuart A.; Whittlesey, Michael K.","Activation of H2 over the Ru-Zn Bond in the Transition Metal-Lewis Acid Heterobimetallic Species [Ru(IPr)2(CO)ZnEt](.).","Journal of the American Chemical Society","2016","138","35","11081","11084","10.1021/jacs.6b05243","","x-ray","1.54184","CuKα","","0.0419","0.0388","","","0.1015","0.1045","","","","","","1.025","","","","has coordinates,has disorder","241014","2020-10-21","18:00:00",""
"4130622","21.2832","0.0004","21.2832","0.0004","21.2832","0.0004","90","","90","","90","","9640.7","0.3","150","2","150","2","","","","","","","","5","P a -3","-P 2ac 2ab 3","205","¡®MOF-950¡¯","¡®MOF-950¡¯","","- C30 H18 N0 O13 Zn4 -","- C30 H18 O13 Zn4 -","- C120 H72 O52 Zn16 -","4","0.166667","","Jiang, Juncong; Furukawa, Hiroyasu; Zhang, Yue-Biao; Yaghi, Omar M.","High Methane Storage Working Capacity in Metal-Organic Frameworks with Acrylate Links.","Journal of the American Chemical Society","2016","138","32","10244","10251","10.1021/jacs.6b05261","","","1.54178","CuKα","","0.0999","0.0824","","","0.2271","0.2495","","","","","","1.005","","","","has coordinates,has disorder","241015","2020-10-21","18:00:00",""
"4130623","9.5249","0.0003","5.8864","0.0002","14.3094","0.0004","90","","100.719","0.003","90","","788.29","0.04","293","","293","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C16 H16 Cl3 N -","- C16 H16 Cl3 N -","- C32 H32 Cl6 N2 -","2","1","","Liu, Jie; Cao, Chao-Guo; Sun, Hong-Bao; Zhang, Xia; Niu, Dawen","Catalytic Asymmetric Umpolung Allylation of Imines.","Journal of the American Chemical Society","2016","138","40","13103","13106","10.1021/jacs.6b05288","","x-ray","1.54184","CuKα","","0.0493","0.0481","","","0.126","0.1281","","","","","","1.057","","","","has coordinates","241016","2020-10-21","18:00:00",""
"4130624","9.903","0.001","9.903","0.001","15.72","0.002","90","","90","","90","","1541.7","0.3","296","1","296","1","","","","","","","","7","I 4/m c m","-I 4 2c","140","","","","- C8.84 H8 F5 N4 Nb Ni O2.68 -","- C8.84 H8 F5 N4 Nb Ni O2.68 -","- C35.36 H32 F20 N16 Nb4 Ni4 O10.72 -","4","0.125","","Bhatt, Prashant M.; Belmabkhout, Youssef; Cadiau, Amandine; Adil, Karim; Shekhah, Osama; Shkurenko, Aleksander; Barbour, Leonard J.; Eddaoudi, Mohamed","A Fine-Tuned Fluorinated MOF Addresses the Needs for Trace CO2 Removal and Air Capture Using Physisorption.","Journal of the American Chemical Society","2016","138","29","9301","9307","10.1021/jacs.6b05345","","","1.54178","CuKα","","0.0784","0.0712","","","0.1836","0.1889","","","","","","1.039","","","","has coordinates","241017","2020-10-21","18:00:00",""
"4130625","9.943","0.004","9.943","0.004","15.764","0.006","90","","90","","90","","1558.5","1.1","295.5","0.1","295.5","0.1","","","","","","","","7","I 4/m c m","-I 4 2c","140","","","","- C8 H12 F5 N4 Nb Ni O3 -","- C8 H8 F5 N4 Nb Ni O3 -","- C32 H32 F20 N16 Nb4 Ni4 O12 -","4","0.125","","Bhatt, Prashant M.; Belmabkhout, Youssef; Cadiau, Amandine; Adil, Karim; Shekhah, Osama; Shkurenko, Aleksander; Barbour, Leonard J.; Eddaoudi, Mohamed","A Fine-Tuned Fluorinated MOF Addresses the Needs for Trace CO2 Removal and Air Capture Using Physisorption.","Journal of the American Chemical Society","2016","138","29","9301","9307","10.1021/jacs.6b05345","","","0.71073","MoKα","","0.0699","0.0325","","","0.0683","0.077","","","","","","0.977","","","","has coordinates,has disorder","241018","2020-10-21","18:00:00",""
"4130626","13.7385","0.0006","19.5301","0.0007","29.6719","0.0014","90","","96.687","0.002","90","","7907.2","0.6","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","L2CuOTf(THF)2","","","- C91 H98 Cu F3 O5 P6 S -","- C91 H94 Cu F3 O5 P6 S -","- C364 H376 Cu4 F12 O20 P24 S4 -","4","1","","Zall, Christopher M.; Linehan, John C.; Appel, Aaron M.","Triphosphine-Ligated Copper Hydrides for CO2 Hydrogenation: Structure, Reactivity, and Thermodynamic Studies.","Journal of the American Chemical Society","2016","138","31","9968","9977","10.1021/jacs.6b05349","","","0.71073","MoKα","","0.1664","0.0701","","","0.1356","0.1727","","","","","","1.003","","","","has coordinates","241019","2020-10-21","18:00:00",""
"4130627","21.6406","0.0013","21.6406","0.0013","16.2448","0.0011","90","","90","","120","","6588.5","0.7","123","2","123","2","","","","","","","","4","P 3 1 2","P 3 2","149","[(p3Cu)2H]PF6","","","- C82 H79 Cu2 P6 -","- C81.974 H78.9754 Cu2 P5.998 -","- C245.922 H236.926 Cu6 P17.994 -","3","0.5","","Zall, Christopher M.; Linehan, John C.; Appel, Aaron M.","Triphosphine-Ligated Copper Hydrides for CO2 Hydrogenation: Structure, Reactivity, and Thermodynamic Studies.","Journal of the American Chemical Society","2016","138","31","9968","9977","10.1021/jacs.6b05349","","","0.71073","MoKα","","0.1273","0.0698","","","0.1805","0.223","","","","","","1.03","","","","has coordinates,has disorder","241020","2020-10-21","18:00:00",""
"4130628","14.0768","0.0008","19.6513","0.0011","15.0068","0.0008","90","","115.83","0.002","90","","3736.5","0.4","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","(LCuH)2","","","- C86 H86 Cu2 N2 P6 -","- C86 H86 Cu2 N2 P6 -","- C172 H172 Cu4 N4 P12 -","2","0.5","","Zall, Christopher M.; Linehan, John C.; Appel, Aaron M.","Triphosphine-Ligated Copper Hydrides for CO2 Hydrogenation: Structure, Reactivity, and Thermodynamic Studies.","Journal of the American Chemical Society","2016","138","31","9968","9977","10.1021/jacs.6b05349","","","0.71073","MoKα","","0.0889","0.0541","","","0.1178","0.1295","","","","","","1.021","","","","has coordinates,has disorder","241021","2020-10-21","18:00:00",""
"4130629","15.00712","0.0002","16.8669","0.0002","20.439","0.0003","73.1727","0.0012","68.6423","0.0012","80.3164","0.0011","4600.53","0.12","120","","120","","","","","","","","","7","P -1","-P 1","2","","","","- C92 H76 B6 Co2 F24 N19 O0.5 -","- C92 H76 B6 Co2 F24 N19 O0.5 -","- C184 H152 B12 Co4 F48 N38 O -","2","1","","Burke, Michael J.; Nichol, Gary S.; Lusby, Paul J.","Orthogonal Selection and Fixing of Coordination Self-Assembly Pathways for Robust Metallo-organic Ensemble Construction.","Journal of the American Chemical Society","2016","138","29","9308","9315","10.1021/jacs.6b05364","","x-ray","1.54184","CuKα","","0.0584","0.0552","","","0.1498","0.1539","","","","","","1.027","","","","has coordinates,has disorder","241022","2020-10-21","18:00:00",""
"4130630","17.3577","0.0003","17.3577","0.0003","104.263","0.002","90","","90","","120","","27204.8","0.8","120","","120","","","","","","","","","6","R -3 c :H","-R 3 2""c","167","","","","- C96 H84 B6 Co2 F24 N18 -","- C84 H66 B6 Co2 F24 N12 -","- C1008 H792 B72 Co24 F288 N144 -","12","0.333333","","Burke, Michael J.; Nichol, Gary S.; Lusby, Paul J.","Orthogonal Selection and Fixing of Coordination Self-Assembly Pathways for Robust Metallo-organic Ensemble Construction.","Journal of the American Chemical Society","2016","138","29","9308","9315","10.1021/jacs.6b05364","","x-ray","1.54178","CuKα","","0.0865","0.0769","","","0.2137","0.2237","","","","","","1.047","","","","has coordinates","241023","2020-10-21","18:00:00",""
"4130631","20.5996","0.0002","20.5996","0.0002","195.2193","0.0018","90","","90","","120","","71741.6","1.2","120","","120","","","","","","","","","6","R -3 c :H","-R 3 2""c","167","","","","- C168 H132 Co4 F72 N24 P12 -","- C168 H132 Co4 F72.0002 N24 P12.5 -","- C2016 H1584 Co48 F864.002 N288 P150 -","12","0.333333","","Burke, Michael J.; Nichol, Gary S.; Lusby, Paul J.","Orthogonal Selection and Fixing of Coordination Self-Assembly Pathways for Robust Metallo-organic Ensemble Construction.","Journal of the American Chemical Society","2016","138","29","9308","9315","10.1021/jacs.6b05364","","x-ray","1.54184","CuKα","","0.1153","0.0911","","","0.2689","0.2877","","","","","","1.069","","","","has coordinates,has disorder","241024","2020-10-21","18:00:00",""
"4130632","18.6723","0.0003","38.7772","0.0008","38.7947","0.0006","90","","92.084","0.0016","90","","28071.1","0.9","120","","120","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C250 H231 Co4 F72 N65 P12 -","- C192 H144 Co4 F72 N36 P12 -","- C768 H576 Co16 F288 N144 P48 -","4","1","","Burke, Michael J.; Nichol, Gary S.; Lusby, Paul J.","Orthogonal Selection and Fixing of Coordination Self-Assembly Pathways for Robust Metallo-organic Ensemble Construction.","Journal of the American Chemical Society","2016","138","29","9308","9315","10.1021/jacs.6b05364","","x-ray","1.54184","CuKα","","0.204","0.1725","","","0.4398","0.4577","","","","","","3.301","","","","has coordinates,has disorder","241025","2020-10-21","18:00:00",""
"4130633","13.79","","14.11","","18.58","","92.46","","97.97","","86.84","","3572.6","","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C39 H48 Mn12 O50 -","- C39 H48 Mn12 O50 -","- C78 H96 Mn24 O100 -","2","1","","Espín, Jordi; Zarzuela, Ricardo; Statuto, Nahuel; Juanhuix, Jordi; Maspoch, Daniel; Imaz, Inhar; Chudnovsky, Eugene; Tejada, Javier","Narrowing the Zero-Field Tunneling Resonance by Decreasing the Crystal Symmetry of Mn12 Acetate.","Journal of the American Chemical Society","2016","138","29","9065","9068","10.1021/jacs.6b05380","","","0.71073","synchrotronradiation","","0.1271","0.0866","","","0.2375","0.2725","","","","","","1.011","","","","has coordinates,has disorder","241026","2020-10-21","18:00:00",""
"4130634","26.389","0.0006","26.389","0.0006","8.1302","0.0002","90","","90","","90","","5661.7","0.2","100","2","100","2","","","","","","","","6","I -4","I -4","82","","","","- C29 H41 N O2 P2 Ru -","- C29 H41 N O2 P2 Ru -","- C232 H328 N8 O16 P16 Ru8 -","8","1","","Xie, Yinjun; Ben-David, Yehoshoa; Shimon, Linda J. W.; Milstein, David","Highly Efficient Process for Production of Biofuel from Ethanol Catalyzed by Ruthenium Pincer Complexes.","Journal of the American Chemical Society","2016","138","29","9077","9080","10.1021/jacs.6b05433","","","0.71073","MoKα","","0.0255","0.0236","","","0.0524","0.0533","","","","","","1.022","","","","has coordinates","241027","2020-10-21","18:00:00",""
"4130635","9.9178","0.0012","23.191","0.003","8.899","0.0011","90","","90","","90","","2046.8","0.4","220","2","220","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C19 H27 B2 N O4 -","- C19 H27 B2 N O4 -","- C76 H108 B8 N4 O16 -","4","1","","Mfuh, Adelphe M.; Nguyen, Vu T.; Chhetri, Bhuwan; Burch, Jessica E.; Doyle, John D.; Nesterov, Vladimir N.; Arman, Hadi D.; Larionov, Oleg V.","Additive- and Metal-Free, Predictably 1,2- and 1,3-Regioselective, Photoinduced Dual C-H/C-X Borylation of Haloarenes.","Journal of the American Chemical Society","2016","138","27","8408","8411","10.1021/jacs.6b05436","","","0.71073","MoKα","","0.0659","0.0564","","","0.1325","0.1398","","","","","","1.006","","","","has coordinates,has disorder","241028","2020-10-21","18:00:00",""
"4130636","10.9964","0.0006","14.6674","0.0005","12.8154","0.0006","90","","92.279","0.004","90","","2065.34","0.16","98","","98","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H27 B2 F3 O4 -","- C19 H27 B2 F3 O4 -","- C76 H108 B8 F12 O16 -","4","1","","Mfuh, Adelphe M.; Nguyen, Vu T.; Chhetri, Bhuwan; Burch, Jessica E.; Doyle, John D.; Nesterov, Vladimir N.; Arman, Hadi D.; Larionov, Oleg V.","Additive- and Metal-Free, Predictably 1,2- and 1,3-Regioselective, Photoinduced Dual C-H/C-X Borylation of Haloarenes.","Journal of the American Chemical Society","2016","138","27","8408","8411","10.1021/jacs.6b05436","","","0.71073","MoKα","","0.0705","0.0636","","","0.1348","0.1397","","","","","","1.03","","","","has coordinates","241029","2020-10-21","18:00:00",""
"4130637","13.1779","0.0005","13.6565","0.0006","14.0817","0.0005","104.079","0.003","98.934","0.003","114.197","0.004","2146.96","0.18","98","","98","","","","","","","","","5","P -1","-P 1","2","","","","- C19 H27 B2 F3 O5 -","- C19 H27 B2 F3 O5 -","- C76 H108 B8 F12 O20 -","4","2","","Mfuh, Adelphe M.; Nguyen, Vu T.; Chhetri, Bhuwan; Burch, Jessica E.; Doyle, John D.; Nesterov, Vladimir N.; Arman, Hadi D.; Larionov, Oleg V.","Additive- and Metal-Free, Predictably 1,2- and 1,3-Regioselective, Photoinduced Dual C-H/C-X Borylation of Haloarenes.","Journal of the American Chemical Society","2016","138","27","8408","8411","10.1021/jacs.6b05436","","x-ray","0.71073","MoKα","","0.0596","0.043","","","0.0916","0.0968","","","","","","1.024","","","","has coordinates","241030","2020-10-21","18:00:00",""
"4130638","12.4162","0.0005","14.0091","0.0006","19.4439","0.0008","90","","90","","90","","3382.1","0.2","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C8 H24 I2 P2 Pt -","- C8 H24 I2 P2 Pt -","- C64 H192 I16 P16 Pt8 -","8","2","","Levin, Mark D.; Kaphan, David M.; Hong, Cynthia M.; Bergman, Robert G.; Raymond, Kenneth N.; Toste, F. Dean","Scope and Mechanism of Cooperativity at the Intersection of Organometallic and Supramolecular Catalysis.","Journal of the American Chemical Society","2016","138","30","9682","9693","10.1021/jacs.6b05442","","","0.71073","MoKα","","0.0703","0.0655","","","0.1604","0.1632","","","","","","1.012","","","","has coordinates","241031","2020-10-21","18:00:00",""
"4130639","19.9478","0.001","60.836","0.003","19.5518","0.0011","90","","118.988","0.002","90","","20754.5","1.9","100","2","100","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","cmh_iii_dmk3_a","","","- C152 H140 Au Ga4 K8 N12 O52 P2 -","- C149.976 H101.928 Au0.747 Ga4 K8 N12 O51 P1.494 -","- C599.904 H407.712 Au2.988 Ga16 K32 N48 O204 P5.976 -","4","1","","Levin, Mark D.; Kaphan, David M.; Hong, Cynthia M.; Bergman, Robert G.; Raymond, Kenneth N.; Toste, F. Dean","Scope and Mechanism of Cooperativity at the Intersection of Organometallic and Supramolecular Catalysis.","Journal of the American Chemical Society","2016","138","30","9682","9693","10.1021/jacs.6b05442","","","1.2276","synchrotron","","0.1738","0.157","","","0.3701","0.3814","","","","","","1.111","","","","has coordinates","241032","2020-10-21","18:00:00",""
"4130640","15.17028","0.00012","22.32611","0.00016","29.9089","0.0003","90","","102.991","0.0009","90","","9870.67","0.15","100","0.1","100","0.1","","","","","","","","8","P 1 21 1","P 2yb","4","","","","- C93 H128 Cl2 Cu4 K N8 O7 S -","- C93 H128 Cl2 Cu4 K N8 O7 S -","- C372 H512 Cl8 Cu16 K4 N32 O28 S4 -","4","2","","Johnson, Brittany J.; Antholine, William E.; Lindeman, Sergey V.; Graham, Michael J.; Mankad, Neal P.","A One-Hole Cu<sub>4</sub>S Cluster with N<sub>2</sub>O Reductase Activity: A Structural and Functional Model for Cu<sub>Z</sub>.","Journal of the American Chemical Society","2016","138","40","13107","13110","10.1021/jacs.6b05480","","x-ray","1.54184","CuKα","","0.086","0.0761","","","0.2148","0.227","","","","","","1.014","","","","has coordinates,has disorder","241033","2020-10-21","18:00:00",""
"4130641","22.9942","0.0012","22.9942","0.0012","15.5128","0.0008","90","","90","","90","","8202.1","0.7","200","2","200","2","","","","","","","","5","I 41/a :2","-I 4ad","88","CuS2NCN2","","","- C38 H46 Cu N4 S2 -","- C38 H46 Cu N4 S2 -","- C304 H368 Cu8 N32 S16 -","8","0.5","","Johnson, Brittany J.; Antholine, William E.; Lindeman, Sergey V.; Graham, Michael J.; Mankad, Neal P.","A One-Hole Cu<sub>4</sub>S Cluster with N<sub>2</sub>O Reductase Activity: A Structural and Functional Model for Cu<sub>Z</sub>.","Journal of the American Chemical Society","2016","138","40","13107","13110","10.1021/jacs.6b05480","","","0.71073","","","0.1106","0.0666","","","0.1967","0.2236","","","","","","1.404","","","","has coordinates","241033","2020-10-21","18:00:00",""
"4130642","13.5285","0.0018","8.4191","0.0012","15.857","0.002","90","","90","","90","","1806.1","0.4","90","","90","","","","","","","","","3","P m c 21","P 2c -2","26","","","","- C24 H20 O4 -","- C24 H20 O4 -","- C96 H80 O16 -","4","1","","Leung, Franco King-Chi; Ishiwari, Fumitaka; Kajitani, Takashi; Shoji, Yoshiaki; Hikima, Takaaki; Takata, Masaki; Saeki, Akinori; Seki, Shu; Yamada, Yoichi M. A.; Fukushima, Takanori","Supramolecular Scaffold for Tailoring the Two-Dimensional Assembly of Functional Molecular Units into Organic Thin Films.","Journal of the American Chemical Society","2016","138","36","11727","11733","10.1021/jacs.6b05513","","","0.71073","MoKα","","0.0394","0.0371","","","0.096","0.0975","","","","","","1.066","","","","has coordinates","241034","2020-10-21","18:00:00",""
"4130643","24.5669","0.0003","13.815","0.0001","18.1309","0.0002","90","","111.014","0.001","90","","5744.23","0.11","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C57 H40 P2 S15 V -","- C57 H40 P2 S15 V -","- C228 H160 P8 S60 V4 -","4","1","","Atzori, Matteo; Morra, Elena; Tesi, Lorenzo; Albino, Andrea; Chiesa, Mario; Sorace, Lorenzo; Sessoli, Roberta","Quantum Coherence Times Enhancement in Vanadium(IV)-based Potential Molecular Qubits: the Key Role of the Vanadyl Moiety.","Journal of the American Chemical Society","2016","138","35","11234","11244","10.1021/jacs.6b05574","","","1.54184","CuKα","","0.0431","0.0372","","","0.091","0.0953","","","","","","1.05","","","","has coordinates","241035","2020-10-21","18:00:00",""
"4130644","20.4747","0.0005","12.7283","0.0004","20.6032","0.0005","90","","95.297","0.002","90","","5346.4","0.2","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C54 H40 O P2 S10 V -","- C54 H40 O P2 S10 V -","- C216 H160 O4 P8 S40 V4 -","4","0.5","","Atzori, Matteo; Morra, Elena; Tesi, Lorenzo; Albino, Andrea; Chiesa, Mario; Sorace, Lorenzo; Sessoli, Roberta","Quantum Coherence Times Enhancement in Vanadium(IV)-based Potential Molecular Qubits: the Key Role of the Vanadyl Moiety.","Journal of the American Chemical Society","2016","138","35","11234","11244","10.1021/jacs.6b05574","","","1.54184","CuKα","","0.1369","0.0587","","","0.0678","0.0875","","","","","","1.024","","","","has coordinates","241036","2020-10-21","18:00:00",""
"4130645","19.9651","0.0003","12.5335","0.0001","20.8994","0.0002","90","","94.26","0.001","90","","5215.26","0.1","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C54 H40 Mo O P2 S10 -","- C54 H40 Mo O P2 S10 -","- C216 H160 Mo4 O4 P8 S40 -","4","0.5","","Atzori, Matteo; Morra, Elena; Tesi, Lorenzo; Albino, Andrea; Chiesa, Mario; Sorace, Lorenzo; Sessoli, Roberta","Quantum Coherence Times Enhancement in Vanadium(IV)-based Potential Molecular Qubits: the Key Role of the Vanadyl Moiety.","Journal of the American Chemical Society","2016","138","35","11234","11244","10.1021/jacs.6b05574","","","1.54184","CuKα","","0.0355","0.028","","","0.0624","0.0683","","","","","","1.106","","","","has coordinates","241037","2020-10-21","18:00:00",""
"4130646","12.7155","0.0003","13.1946","0.0003","14.1206","0.0005","115.945","0.003","97.484","0.002","106.847","0.002","1945.83","0.12","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C33 H20 P S15 V -","- C33 H20 P S15 V -","- C66 H40 P2 S30 V2 -","2","1","","Atzori, Matteo; Morra, Elena; Tesi, Lorenzo; Albino, Andrea; Chiesa, Mario; Sorace, Lorenzo; Sessoli, Roberta","Quantum Coherence Times Enhancement in Vanadium(IV)-based Potential Molecular Qubits: the Key Role of the Vanadyl Moiety.","Journal of the American Chemical Society","2016","138","35","11234","11244","10.1021/jacs.6b05574","","","1.54184","CuKα","","0.0346","0.0267","","","0.0658","0.069","","","","","","1.033","","","","has coordinates","241038","2020-10-21","18:00:00",""
"4130647","12.6258","0.0011","23.1782","0.0018","20.3231","0.0016","90","","99.749","0.003","90","","5861.5","0.8","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C64 H58 N6 O6 -","- C64 H58 N6 O6 -","- C256 H232 N24 O24 -","4","1","","Martinez-Cuezva, Alberto; Lopez-Leonardo, Carmen; Bautista, Delia; Alajarin, Mateo; Berna, Jose","Stereocontrolled Synthesis of β-Lactams within [2]Rotaxanes: Showcasing the Chemical Consequences of the Mechanical Bond.","Journal of the American Chemical Society","2016","138","28","8726","8729","10.1021/jacs.6b05581","","","1.54178","CuKα","","0.0547","0.0492","","","0.1269","0.1321","","","","","","1.037","","","","has coordinates,has disorder","241039","2020-10-21","18:00:00",""
"4130648","23.4939","0.0013","23.4954","0.0014","31.9724","0.0018","90","","90","","90","","17648.7","1.7","296","2","296","2","","","","","","","","6","P n n m","-P 2 2n","58","UNLPF_14","","","- C100 H52 In2 Mn N4 O17 -","- C100 H54.02 In2 Mn N4 O17 -","- C200 H108.04 In4 Mn2 N8 O34 -","2","0.25","","Johnson, Jacob A.; Petersen, Brenna M.; Kormos, Attila; Echeverría, Elena; Chen, Yu-Sheng; Zhang, Jian","A New Approach to Non-Coordinating Anions: Lewis Acid Enhancement of Porphyrin Metal Centers in a Zwitterionic Metal-Organic Framework.","Journal of the American Chemical Society","2016","138","32","10293","10298","10.1021/jacs.6b05626","","","0.41328","synchrotron","","0.1666","0.0832","","","0.2164","0.2593","","","","","","0.946","","","","has coordinates","241040","2020-10-21","18:00:00",""
"4130649","23.4897","0.0013","23.4895","0.0013","31.9645","0.0018","90","","90","","90","","17636.8","1.7","296","2","296","2","","","","","","","","6","P n n m","-P 2 2n","58","UNLPF_16","","","- C100 H52 Fe In2 N4 O17 -","- C100 H54.02 Fe In2 N4 O17 -","- C200 H108.04 Fe2 In4 N8 O34 -","2","0.25","","Johnson, Jacob A.; Petersen, Brenna M.; Kormos, Attila; Echeverría, Elena; Chen, Yu-Sheng; Zhang, Jian","A New Approach to Non-Coordinating Anions: Lewis Acid Enhancement of Porphyrin Metal Centers in a Zwitterionic Metal-Organic Framework.","Journal of the American Chemical Society","2016","138","32","10293","10298","10.1021/jacs.6b05626","","","0.41328","synchrotron","","0.1868","0.0963","","","0.2772","0.3282","","","","","","0.991","","","","has coordinates","241041","2020-10-21","18:00:00",""
"4130650","15.6602","0.0017","18.7951","0.0019","7.4123","0.0008","90","","99.029","0.003","90","","2154.7","0.4","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","2-(4-chlorophenyl)-4-phenyl-1-((4-(trifluoromethyl)phenyl)sulfonyl)pyrrolidine","","","- C23 H19 Cl F3 N O2 S -","- C23 H19 Cl F3 N O2 S -","- C92 H76 Cl4 F12 N4 O8 S4 -","4","1","","Johnson, Jacob A.; Petersen, Brenna M.; Kormos, Attila; Echeverría, Elena; Chen, Yu-Sheng; Zhang, Jian","A New Approach to Non-Coordinating Anions: Lewis Acid Enhancement of Porphyrin Metal Centers in a Zwitterionic Metal-Organic Framework.","Journal of the American Chemical Society","2016","138","32","10293","10298","10.1021/jacs.6b05626","","","0.41328","synchrotron","","0.0968","0.0613","","","0.1572","0.1814","","","","","","1.142","","","","has coordinates,has disorder","241042","2020-10-21","18:00:00",""
"4130651","23.767","0.01","23.767","","29.459","0.012","90","","90","","90","","16641","10","100","2","100","2","","","","","","","","7","P n n m","-P 2 2n","58","UNLPF_13","","","- C100 H52 Cl In2 Mn N4 O16 -","- C100 H52 Cl In2 Mn N4 O16 -","- C200 H104 Cl2 In4 Mn2 N8 O32 -","2","0.25","","Johnson, Jacob A.; Petersen, Brenna M.; Kormos, Attila; Echeverría, Elena; Chen, Yu-Sheng; Zhang, Jian","A New Approach to Non-Coordinating Anions: Lewis Acid Enhancement of Porphyrin Metal Centers in a Zwitterionic Metal-Organic Framework.","Journal of the American Chemical Society","2016","138","32","10293","10298","10.1021/jacs.6b05626","","","0.47398","synchrotron","","0.1025","0.0579","","","0.1416","0.156","","","","","","0.894","","","","has coordinates","241043","2020-10-21","18:00:00",""
"4130652","14.1702","0.0005","15.5119","0.0006","9.5178","0.0004","90","","105.328","0.0011","90","","2017.66","0.14","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C23 H22 Cl N O2 S -","- C23 H22 Cl N O2 S -","- C92 H88 Cl4 N4 O8 S4 -","4","1","","Johnson, Jacob A.; Petersen, Brenna M.; Kormos, Attila; Echeverría, Elena; Chen, Yu-Sheng; Zhang, Jian","A New Approach to Non-Coordinating Anions: Lewis Acid Enhancement of Porphyrin Metal Centers in a Zwitterionic Metal-Organic Framework.","Journal of the American Chemical Society","2016","138","32","10293","10298","10.1021/jacs.6b05626","","","0.41328","synchrotron","","0.0871","0.0648","","","0.2066","0.2296","","","","","","1.556","","","","has coordinates,has disorder","241044","2020-10-21","18:00:00",""
"4130653","23.412","0.006","23.428","0.006","32.108","0.009","90","","90","","90","","17611","8","296","2","296","2","","","","","","","","7","P n n m","-P 2 2n","58","UNLPF-15","","","- C100 H52 Cl Fe In2 N4 O16 -","- C100 H52 Cl Fe In2 N4 O16 -","- C200 H104 Cl2 Fe2 In4 N8 O32 -","2","0.25","","Johnson, Jacob A.; Petersen, Brenna M.; Kormos, Attila; Echeverría, Elena; Chen, Yu-Sheng; Zhang, Jian","A New Approach to Non-Coordinating Anions: Lewis Acid Enhancement of Porphyrin Metal Centers in a Zwitterionic Metal-Organic Framework.","Journal of the American Chemical Society","2016","138","32","10293","10298","10.1021/jacs.6b05626","","","0.47398","synchrotron","","0.1857","0.0803","","","0.2065","0.2552","","","","","","0.93","","","","has coordinates","241045","2020-10-21","18:00:00",""
"4130654","11.2356","0.0009","12.9918","0.001","11.3681","0.001","90","","154.939","0.004","90","","702.9","0.14","100","2","100.01","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Me2TDPP","","- C16 H12 N2 O2 S2 -","- C16 H12 N2 O2 S2 -","- C32 H24 N4 O4 S4 -","2","0.5","","Mauck, Catherine M.; Hartnett, Patrick E.; Margulies, Eric A.; Ma, Lin; Miller, Claire E.; Schatz, George C.; Marks, Tobin J.; Wasielewski, Michael R.","Singlet Fission via an Excimer-Like Intermediate in 3,6-Bis(thiophen-2-yl)diketopyrrolopyrrole Derivatives.","Journal of the American Chemical Society","2016","138","36","11749","11761","10.1021/jacs.6b05627","","","1.54178","CuKα","","0.0324","0.032","","","0.0942","0.0945","","","","","","1.124","","","","has coordinates","241046","2020-10-21","18:00:00",""
"4130655","16.653","0.003","22.759","0.005","24.195","0.005","76.33","0.03","78.45","0.03","82.76","0.03","8700","3","103","2","103","2","","","","","","","","4","P -1","-P 1","2","","","","- C93 H123 N3 O15 -","- C93 H123 N3 O15 -","- C372 H492 N12 O60 -","4","2","","Li, Xuesong; Markandeya, Nagula; Jonusauskas, Gediminas; McClenaghan, Nathan D.; Maurizot, Victor; Denisov, Sergey A.; Huc, Ivan","Photoinduced Electron Transfer and Hole Migration in Nanosized Helical Aromatic Oligoamide Foldamers.","Journal of the American Chemical Society","2016","138","41","13568","13578","10.1021/jacs.6b05668","","","1.54178","CuKα","","0.1403","0.0838","","","0.2291","0.2515","","","","","","1.05","","","","has coordinates,has disorder","241047","2020-10-21","18:00:00",""
"4130656","31.718","0.0015","31.718","0.0015","17.1352","0.0009","90","","90","","120","","14929","1.3","250","","250","","","","","","","","","5","P -6 2 c","P -6c -2c","190","","","","- C188 H97.5 In9 N1.5 O46.5 -","- C187.999 H97.5 In9 N1.5 O46.5 -","- C375.998 H195 In18 N3 O93 -","2","0.166667","","Reinares-Fisac, Daniel; Aguirre-Díaz, Lina María; Iglesias, Marta; Snejko, Natalia; Gutiérrez-Puebla, Enrique; Monge, M Ángeles; Gándara, Felipe","A Mesoporous Indium Metal-Organic Framework: Remarkable Advances in Catalytic Activity for Strecker Reaction of Ketones.","Journal of the American Chemical Society","2016","138","29","9089","9092","10.1021/jacs.6b05706","","","1.54178","CuKα","","0.0777","0.0649","","","0.1825","0.1939","","","","","","1.14","","","","has coordinates","241048","2020-10-21","18:00:00",""
"4130657","31.8903","0.0007","31.8903","0.0007","17.1915","0.0005","90","","90","","120","","15141.2","0.6","250","","250","","","","","","","","","4","P -6 2 c","P -6c -2c","190","","","","- C168 H90 In9 O48 -","- C168 H90 In9 O48 -","- C336 H180 In18 O96 -","2","0.166667","","Reinares-Fisac, Daniel; Aguirre-Díaz, Lina María; Iglesias, Marta; Snejko, Natalia; Gutiérrez-Puebla, Enrique; Monge, M Ángeles; Gándara, Felipe","A Mesoporous Indium Metal-Organic Framework: Remarkable Advances in Catalytic Activity for Strecker Reaction of Ketones.","Journal of the American Chemical Society","2016","138","29","9089","9092","10.1021/jacs.6b05706","","","1.54178","CuKα","","0.1607","0.0961","","","0.2409","0.3034","","","","","","1.006","","","","has coordinates,has disorder","241049","2020-10-21","18:00:00",""
"4130658","17.5574","0.0008","20.8944","0.0009","16.8168","0.0008","90","","90","","90","","6169.3","0.5","250","","250","","","","","","","","","5","P b c n","-P 2n 2ab","60","","InPF50","","- C30 H18 In N O10.5 -","- C30 H23 In N O10.5 -","- C240 H184 In8 N8 O84 -","8","1","","Reinares-Fisac, Daniel; Aguirre-Díaz, Lina María; Iglesias, Marta; Snejko, Natalia; Gutiérrez-Puebla, Enrique; Monge, M Ángeles; Gándara, Felipe","A Mesoporous Indium Metal-Organic Framework: Remarkable Advances in Catalytic Activity for Strecker Reaction of Ketones.","Journal of the American Chemical Society","2016","138","29","9089","9092","10.1021/jacs.6b05706","","","1.54178","CuKα","","0.1008","0.0866","","","0.2445","0.2618","","","","","","1.158","","","","has coordinates,has disorder","241050","2020-10-21","18:00:00",""
"4130659","55.402","0.009","18.757","0.003","14.45","0.003","90","","102.502","0.003","90","","14660","5","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C56 H82 O3 S8 Si8 -","- C56 H76 O3 S8 Si8 -","- C448 H608 O24 S64 Si64 -","8","1","","Zhang, Sheng; Liu, Xinming; Li, Chunli; Li, Lu; Song, Jinsheng; Shi, Jianwu; Morton, Martha; Rajca, Suchada; Rajca, Andrzej; Wang, Hua","Thiophene-Based Double Helices: Syntheses, X-ray Structures, and Chiroptical Properties.","Journal of the American Chemical Society","2016","138","31","10002","10010","10.1021/jacs.6b05709","","","0.71073","MoKα","","0.1184","0.0888","","","0.2029","0.2188","","","","","","1.057","","","","has coordinates","241051","2020-10-21","18:00:00",""
"4130660","10.775","0.002","11.514","0.003","18.195","0.004","87.775","0.004","86.31","0.004","67.205","0.003","2076.5","0.8","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H36 I4 S4 Si4 -","- C28 H36 I4 S4 Si4 -","- C56 H72 I8 S8 Si8 -","2","1","","Zhang, Sheng; Liu, Xinming; Li, Chunli; Li, Lu; Song, Jinsheng; Shi, Jianwu; Morton, Martha; Rajca, Suchada; Rajca, Andrzej; Wang, Hua","Thiophene-Based Double Helices: Syntheses, X-ray Structures, and Chiroptical Properties.","Journal of the American Chemical Society","2016","138","31","10002","10010","10.1021/jacs.6b05709","","","0.71073","MoKα","","0.055","0.0424","","","0.1071","0.1156","","","","","","1.086","","","","has coordinates","241052","2020-10-21","18:00:00",""
"4130661","10.918","0.006","12.793","0.006","14.3","0.007","91.596","0.009","104.851","0.009","113.229","0.009","1755.3","1.5","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C28 H40 S4 Si4 -","- C28 H40 S4 Si4 -","- C56 H80 S8 Si8 -","2","1","","Zhang, Sheng; Liu, Xinming; Li, Chunli; Li, Lu; Song, Jinsheng; Shi, Jianwu; Morton, Martha; Rajca, Suchada; Rajca, Andrzej; Wang, Hua","Thiophene-Based Double Helices: Syntheses, X-ray Structures, and Chiroptical Properties.","Journal of the American Chemical Society","2016","138","31","10002","10010","10.1021/jacs.6b05709","","","0.71073","MoKα","","0.1731","0.0658","","","0.0935","0.1069","","","","","","0.987","","","","has coordinates","241053","2020-10-21","18:00:00",""
"4130662","10.434","0.009","15.47","0.013","20.322","0.017","89.347","0.018","83.228","0.017","75.451","0.016","3152","5","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C86 H114 Cl8 S12 Si12 -","- C86 H114 Cl8 S12 Si12 -","- C86 H114 Cl8 S12 Si12 -","1","0.5","","Zhang, Sheng; Liu, Xinming; Li, Chunli; Li, Lu; Song, Jinsheng; Shi, Jianwu; Morton, Martha; Rajca, Suchada; Rajca, Andrzej; Wang, Hua","Thiophene-Based Double Helices: Syntheses, X-ray Structures, and Chiroptical Properties.","Journal of the American Chemical Society","2016","138","31","10002","10010","10.1021/jacs.6b05709","","","0.71073","MoKα","","0.2079","0.0944","","","0.1803","0.2065","","","","","","1.098","","","","has coordinates","241054","2020-10-21","18:00:00",""
"4130663","10.2081","0.0006","14.0993","0.0008","14.1207","0.0008","84.199","0.001","71.431","0.001","80.423","0.001","1897.18","0.19","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C28 H42 I2 O2 S4 Si4 -","- C28 H38 I2 O2 S4 Si4 -","- C56 H76 I4 O4 S8 Si8 -","2","1","","Zhang, Sheng; Liu, Xinming; Li, Chunli; Li, Lu; Song, Jinsheng; Shi, Jianwu; Morton, Martha; Rajca, Suchada; Rajca, Andrzej; Wang, Hua","Thiophene-Based Double Helices: Syntheses, X-ray Structures, and Chiroptical Properties.","Journal of the American Chemical Society","2016","138","31","10002","10010","10.1021/jacs.6b05709","","","0.71073","MoKα","","0.0574","0.0483","","","0.1336","0.1429","","","","","","1.063","","","","has coordinates","241055","2020-10-21","18:00:00",""
"4130664","12.2794","0.0007","19.0648","0.0011","23.574","0.0013","90","","100.784","0.001","90","","5421.3","0.5","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C42 H58 S6 Si6 -","- C42 H58 S6 Si6 -","- C168 H232 S24 Si24 -","4","1","","Zhang, Sheng; Liu, Xinming; Li, Chunli; Li, Lu; Song, Jinsheng; Shi, Jianwu; Morton, Martha; Rajca, Suchada; Rajca, Andrzej; Wang, Hua","Thiophene-Based Double Helices: Syntheses, X-ray Structures, and Chiroptical Properties.","Journal of the American Chemical Society","2016","138","31","10002","10010","10.1021/jacs.6b05709","","","0.71073","MoKα","","0.0893","0.0477","","","0.1218","0.1368","","","","","","1.019","","","","has coordinates","241056","2020-10-21","18:00:00",""
"4130665","15.795","0.007","16.151","0.007","23.422","0.01","79.086","0.008","82.483","0.007","66.948","0.008","5388","4","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C84 H112 S12 Si12 -","- C84 H112 S12 Si12 -","- C168 H224 S24 Si24 -","2","1","","Zhang, Sheng; Liu, Xinming; Li, Chunli; Li, Lu; Song, Jinsheng; Shi, Jianwu; Morton, Martha; Rajca, Suchada; Rajca, Andrzej; Wang, Hua","Thiophene-Based Double Helices: Syntheses, X-ray Structures, and Chiroptical Properties.","Journal of the American Chemical Society","2016","138","31","10002","10010","10.1021/jacs.6b05709","","","0.71073","MoKα","","0.1747","0.1037","","","0.2368","0.2558","","","","","","1.188","","","","has coordinates","241057","2020-10-21","18:00:00",""
"4130666","13.9954","0.0006","14.7458","0.0006","12.9012","0.0006","90","","90.001","0.002","90","","2662.5","0.2","100","","100","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H40 Ce Cl6 N2 -","- C16 H40 Ce Cl6 N2 -","- C64 H160 Ce4 Cl24 N8 -","4","1","","Yin, Haolin; Jin, Yi; Hertzog, Jerald E.; Mullane, Kimberly C.; Carroll, Patrick J.; Manor, Brian C.; Anna, Jessica M.; Schelter, Eric J.","The Hexachlorocerate(III) Anion: A Potent, Benchtop Stable, and Readily Available Ultraviolet A Photosensitizer for Aryl Chlorides.","Journal of the American Chemical Society","2016","138","50","16266","16273","10.1021/jacs.6b05712","","","0.71073","MoKα","","0.0263","0.0195","","","0.0669","0.0728","","","","","","1.159","","","","has coordinates","241058","2020-10-21","18:00:00",""
"4130667","18.102","0.003","12.1714","0.001","20.8315","0.0016","90","","91.349","0.002","90","","4588.5","0.9","100","","100","1","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C32 H72 Ce Cl6 N7 -","- C32 H72 Ce Cl6 N7 -","- C128 H288 Ce4 Cl24 N28 -","4","0.5","","Yin, Haolin; Jin, Yi; Hertzog, Jerald E.; Mullane, Kimberly C.; Carroll, Patrick J.; Manor, Brian C.; Anna, Jessica M.; Schelter, Eric J.","The Hexachlorocerate(III) Anion: A Potent, Benchtop Stable, and Readily Available Ultraviolet A Photosensitizer for Aryl Chlorides.","Journal of the American Chemical Society","2016","138","50","16266","16273","10.1021/jacs.6b05712","","","0.71073","MoKα","","0.0299","0.0255","","","0.058","0.0617","","","","","","1.089","","","","has coordinates","241058","2020-10-21","18:00:00",""
"4130668","11.7573","0.0014","17.709","0.002","12.2838","0.0014","90","","110.678","0.005","90","","2392.8","0.5","100","","100","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H60 Br6 Ce N3 -","- C24 H60 Br6 Ce N3 -","- C48 H120 Br12 Ce2 N6 -","2","0.5","","Yin, Haolin; Jin, Yi; Hertzog, Jerald E.; Mullane, Kimberly C.; Carroll, Patrick J.; Manor, Brian C.; Anna, Jessica M.; Schelter, Eric J.","The Hexachlorocerate(III) Anion: A Potent, Benchtop Stable, and Readily Available Ultraviolet A Photosensitizer for Aryl Chlorides.","Journal of the American Chemical Society","2016","138","50","16266","16273","10.1021/jacs.6b05712","","","0.71073","MoKα","","0.0194","0.0162","","","0.0369","0.0376","","","","","","1.048","","","","has coordinates","241058","2020-10-21","18:00:00",""
"4130669","13.8555","0.0008","13.8676","0.0008","14.7764","0.0008","83.16","0.002","86.479","0.002","69.655","0.002","2642.5","0.3","100.15","","100.15","","","","","","","","","6","P -1","-P 1","2","","","","- C56 H65 Br Li N11 O4 -","- C56 H62 Br Li N11 O4 -","- C112 H124 Br2 Li2 N22 O8 -","2","1","","He, Qing; Zhang, Zhan; Brewster, James T.; Lynch, Vincent M.; Kim, Sung Kuk; Sessler, Jonathan L.","Hemispherand-Strapped Calix[4]pyrrole: An Ion-pair Receptor for the Recognition and Extraction of Lithium Nitrite.","Journal of the American Chemical Society","2016","138","31","9779","9782","10.1021/jacs.6b05713","","","0.71073","MoKα","","0.0488","0.0424","","","0.106","0.1091","","","","","","1.057","","","","has coordinates,has disorder","241059","2020-10-21","18:00:00",""
"4130670","10.85","0.005","13.688","0.006","18.213","0.008","85.376","0.011","88.134","0.014","89.723","0.011","2695","2","100","2","100.15","","","","","","","","","6","P -1","-P 1","2","","","","- C54 H69 Cl Li N9 O7 -","- C54 H69 Cl Li N9 O7 -","- C108 H138 Cl2 Li2 N18 O14 -","2","1","","He, Qing; Zhang, Zhan; Brewster, James T.; Lynch, Vincent M.; Kim, Sung Kuk; Sessler, Jonathan L.","Hemispherand-Strapped Calix[4]pyrrole: An Ion-pair Receptor for the Recognition and Extraction of Lithium Nitrite.","Journal of the American Chemical Society","2016","138","31","9779","9782","10.1021/jacs.6b05713","","","0.71075","MoKα","","0.1971","0.1309","","","0.2608","0.3001","","","","","","1.197","","","","has coordinates","241060","2020-10-21","18:00:00",""
"4130671","13.835","0.0003","13.911","0.0003","14.7899","0.0003","86.6932","0.0019","83.3607","0.0019","69.639","0.002","2650.23","0.1","100","0.1","100","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C56 H65 Li N12 O6 -","- C56 H65 Li N12 O6 -","- C112 H130 Li2 N24 O12 -","2","1","","He, Qing; Zhang, Zhan; Brewster, James T.; Lynch, Vincent M.; Kim, Sung Kuk; Sessler, Jonathan L.","Hemispherand-Strapped Calix[4]pyrrole: An Ion-pair Receptor for the Recognition and Extraction of Lithium Nitrite.","Journal of the American Chemical Society","2016","138","31","9779","9782","10.1021/jacs.6b05713","","x-ray","1.54184","CuKα","","0.043","0.0416","","","0.1043","0.1054","","","","","","1.024","","","","has coordinates","241061","2020-10-21","18:00:00",""
"4130672","13.9316","0.0019","18.999","0.003","20.79","0.003","113.997","0.003","97.902","0.004","97.286","0.004","4876.9","1.2","153.15","","153.15","","","","","","","","","4","P -1","-P 1","2","","","","- C53.5 H58.75 N10.25 O3 -","- C53.5 H58.75 N10.25 O3 -","- C214 H235 N41 O12 -","4","2","","He, Qing; Zhang, Zhan; Brewster, James T.; Lynch, Vincent M.; Kim, Sung Kuk; Sessler, Jonathan L.","Hemispherand-Strapped Calix[4]pyrrole: An Ion-pair Receptor for the Recognition and Extraction of Lithium Nitrite.","Journal of the American Chemical Society","2016","138","31","9779","9782","10.1021/jacs.6b05713","","","0.71073","MoKα","","0.2202","0.0701","","","0.126","0.1561","","","","","","0.884","","","","has coordinates,has disorder","241062","2020-10-21","18:00:00",""
"4130673","10.8528","0.0002","13.6605","0.0003","18.1919","0.0003","85.4609","0.0014","88.1007","0.0015","89.6809","0.0017","2687.09","0.09","100.01","0.1","100.15","","","","","","","","","6","P -1","-P 1","2","","","","- C54 H69 Cl Li N9 O7 -","- C54 H69 Cl Li N9 O7 -","- C108 H138 Cl2 Li2 N18 O14 -","2","1","","He, Qing; Zhang, Zhan; Brewster, James T.; Lynch, Vincent M.; Kim, Sung Kuk; Sessler, Jonathan L.","Hemispherand-Strapped Calix[4]pyrrole: An Ion-pair Receptor for the Recognition and Extraction of Lithium Nitrite.","Journal of the American Chemical Society","2016","138","31","9779","9782","10.1021/jacs.6b05713","","","1.54184","CuKα","","0.0427","0.0394","","","0.1012","0.104","","","","","","1.036","","","","has coordinates","241063","2020-10-21","18:00:00",""
"4130674","14.7928","0.0009","12.3477","0.0007","27.0073","0.0016","90","","98.997","0.002","90","","4872.4","0.5","100","2","100.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C51 H60 Li N9 O8 -","- C51 H60 Li N9 O8 -","- C204 H240 Li4 N36 O32 -","4","1","","He, Qing; Zhang, Zhan; Brewster, James T.; Lynch, Vincent M.; Kim, Sung Kuk; Sessler, Jonathan L.","Hemispherand-Strapped Calix[4]pyrrole: An Ion-pair Receptor for the Recognition and Extraction of Lithium Nitrite.","Journal of the American Chemical Society","2016","138","31","9779","9782","10.1021/jacs.6b05713","","","0.71073","MoKα","","0.1271","0.0861","","","0.2014","0.2241","","","","","","1.039","","","","has coordinates","241064","2020-10-21","18:00:00",""
"4130675","9.7","0.002","12.142","0.003","20.293","0.005","93.671","0.015","101.175","0.007","102.189","0.007","2278.1","0.9","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C50 H60 N8 O6 -","- C50 H59.72 N8 O6 -","- C100 H119.44 N16 O12 -","2","1","","He, Qing; Zhang, Zhan; Brewster, James T.; Lynch, Vincent M.; Kim, Sung Kuk; Sessler, Jonathan L.","Hemispherand-Strapped Calix[4]pyrrole: An Ion-pair Receptor for the Recognition and Extraction of Lithium Nitrite.","Journal of the American Chemical Society","2016","138","31","9779","9782","10.1021/jacs.6b05713","","","0.71073","MoKα","","0.0819","0.0594","","","0.1436","0.1601","","","","","","1.034","","","","has coordinates,has disorder","241065","2020-10-21","18:00:00",""
"4130676","13.8691","0.0014","13.9169","0.0014","14.7837","0.0014","87.019","0.003","83.805","0.003","69.563","0.003","2657.9","0.5","100.15","","100.15","","","","","","","","","6","P -1","-P 1","2","","","","- C56 H65 I Li N11 O4 -","- C56 H64 I Li N11 O4 -","- C112 H128 I2 Li2 N22 O8 -","2","1","","He, Qing; Zhang, Zhan; Brewster, James T.; Lynch, Vincent M.; Kim, Sung Kuk; Sessler, Jonathan L.","Hemispherand-Strapped Calix[4]pyrrole: An Ion-pair Receptor for the Recognition and Extraction of Lithium Nitrite.","Journal of the American Chemical Society","2016","138","31","9779","9782","10.1021/jacs.6b05713","","","0.71073","MoKα","","0.0483","0.0426","","","0.1023","0.105","","","","","","1.071","","","","has coordinates,has disorder","241066","2020-10-21","18:00:00",""
"4130677","11.3956","0.0006","20.1626","0.0011","23.5767","0.0013","110.412","0.002","99.661","0.002","90.596","0.002","4991","0.5","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C52.5 H68 N8 O7.5 -","- C52.5 H66.79 N8 O7.29 -","- C210 H267.16 N32 O29.16 -","4","2","","He, Qing; Zhang, Zhan; Brewster, James T.; Lynch, Vincent M.; Kim, Sung Kuk; Sessler, Jonathan L.","Hemispherand-Strapped Calix[4]pyrrole: An Ion-pair Receptor for the Recognition and Extraction of Lithium Nitrite.","Journal of the American Chemical Society","2016","138","31","9779","9782","10.1021/jacs.6b05713","","","0.71073","MoKα","","0.1912","0.099","","","0.1814","0.2231","","","","","","1.028","","","","has coordinates,has disorder","241067","2020-10-21","18:00:00",""
"4130678","38.659","0.004","38.659","0.004","8.5638","0.0009","90","","90","","120","","11084","2","100","2","100","2","","","","","","","","6","R -3 m :H","-R 3 2""","166","Mn2Cl2BTDD","Mn2Cl2 bibenzotriazoledibenzodioxin","","- C4.5 H1.5 Cl0.75 Mn0.75 N2.25 O2.4 -","- C4.5 H1.5 Cl0.75 Mn0.75 N2.25 O2.4 -","- C108 H36 Cl18 Mn18 N54 O57.6 -","24","0.666667","","Rieth, Adam J.; Tulchinsky, Yuri; Dincă, Mircea","High and Reversible Ammonia Uptake in Mesoporous Azolate Metal-Organic Frameworks with Open Mn, Co, and Ni Sites.","Journal of the American Chemical Society","2016","138","30","9401","9404","10.1021/jacs.6b05723","","","0.71073","MoKα","","0.1154","0.088","","","0.2584","0.2843","","","","","","1.105","","","","has coordinates,has disorder","241068","2020-10-21","18:00:00",""
"4130679","14.281","0.003","13.986","0.003","29.181","0.006","90","","94.55","0.03","90","","5810","2","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C69 H66 B N P3 Ru Si -","- C69 H66 B N P3 Ru Si -","- C276 H264 B4 N4 P12 Ru4 Si4 -","4","1","","Lipke, Mark C.; Liberman-Martin, Allegra L; Tilley, T. Don","Significant Cooperativity Between Ruthenium and Silicon in Catalytic Transformations of an Isocyanide.","Journal of the American Chemical Society","2016","138","30","9704","9713","10.1021/jacs.6b05736","","","0.71073","MoKα","","0.1612","0.0655","","","0.1273","0.1531","","","","","","0.948","","","","has coordinates,has disorder","241069","2020-10-21","18:00:00",""
"4130680","31.304","0.013","7.83","0.003","12.515","0.006","90","","110.626","0.006","90","","2871","2","93","","93","","","","","","","","","7","C 1 2 1","C 2y","5","","","","- C31 H27 Cl2 F2 N O5 S -","- C31 H27 Cl2 F2 N O5 S -","- C124 H108 Cl8 F8 N4 O20 S4 -","4","1","","Touge, Taichiro; Nara, Hideki; Fujiwhara, Mitsuhiko; Kayaki, Yoshihito; Ikariya, Takao","Efficient Access to Chiral Benzhydrols via Asymmetric Transfer Hydrogenation of Unsymmetrical Benzophenones with Bifunctional Oxo-Tethered Ruthenium Catalysts.","Journal of the American Chemical Society","2016","138","32","10084","10087","10.1021/jacs.6b05738","","","0.71075","MoKα","","","0.036","","","","0.0854","","","","","","1","","","","has coordinates","241070","2020-10-21","18:00:00",""
"4130681","7.0524","0.001","15.8433","0.0022","25.4267","0.0031","90","0","90","0","90","0","2841","0.7","93","","93","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C29 H26 Cl2 N2 O7 S2 -","- C28 H25 Cl2 N2 O7 S2.375 -","- C112 H100 Cl8 N8 O28 S9.5 -","4","1","","Touge, Taichiro; Nara, Hideki; Fujiwhara, Mitsuhiko; Kayaki, Yoshihito; Ikariya, Takao","Efficient Access to Chiral Benzhydrols via Asymmetric Transfer Hydrogenation of Unsymmetrical Benzophenones with Bifunctional Oxo-Tethered Ruthenium Catalysts.","Journal of the American Chemical Society","2016","138","32","10084","10087","10.1021/jacs.6b05738","","","0.71075","MoKα","","","0.0416","","","","0.0989","","","","","","1","","","","has coordinates","241071","2020-10-21","18:00:00",""
"4130682","7.2097","0.0016","15.714","0.004","15.938","0.004","90","","90","","90","","1805.7","0.8","93","","93","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C20 H13 Cl N2 O6 -","- C20 H13 Cl N2 O6 -","- C80 H52 Cl4 N8 O24 -","4","1","","Touge, Taichiro; Nara, Hideki; Fujiwhara, Mitsuhiko; Kayaki, Yoshihito; Ikariya, Takao","Efficient Access to Chiral Benzhydrols via Asymmetric Transfer Hydrogenation of Unsymmetrical Benzophenones with Bifunctional Oxo-Tethered Ruthenium Catalysts.","Journal of the American Chemical Society","2016","138","32","10084","10087","10.1021/jacs.6b05738","","","0.71075","MoKα","","","0.0393","","","","0.0883","","","","","","1","","","","has coordinates","241072","2020-10-21","18:00:00",""
"4130683","24.814","0.007","7.7307","0.0017","19.58","0.005","90","","126.078","0.003","90","","3035.7","1.3","93","","93","","","","","","","","","7","C 1 2 1","C 2y","5","","","","- C32 H27 Cl2 F4 N O5 S -","- C32 H27 Cl2 F4 N O5 S -","- C128 H108 Cl8 F16 N4 O20 S4 -","4","1","","Touge, Taichiro; Nara, Hideki; Fujiwhara, Mitsuhiko; Kayaki, Yoshihito; Ikariya, Takao","Efficient Access to Chiral Benzhydrols via Asymmetric Transfer Hydrogenation of Unsymmetrical Benzophenones with Bifunctional Oxo-Tethered Ruthenium Catalysts.","Journal of the American Chemical Society","2016","138","32","10084","10087","10.1021/jacs.6b05738","","","0.71075","MoKα","","","0.0385","","","","0.0906","","","","","","1","","","","has coordinates","241073","2020-10-21","18:00:00",""
"4130684","5.9025","0.0014","12.201","0.003","12.309","0.003","90","","101.322","0.004","90","","869.2","0.4","93","","93","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C20 H13 Cl2 N O4 -","- C20 H13 Cl2 N O4 -","- C40 H26 Cl4 N2 O8 -","2","1","","Touge, Taichiro; Nara, Hideki; Fujiwhara, Mitsuhiko; Kayaki, Yoshihito; Ikariya, Takao","Efficient Access to Chiral Benzhydrols via Asymmetric Transfer Hydrogenation of Unsymmetrical Benzophenones with Bifunctional Oxo-Tethered Ruthenium Catalysts.","Journal of the American Chemical Society","2016","138","32","10084","10087","10.1021/jacs.6b05738","","","0.71075","MoKα","","","0.0422","","","","0.0977","","","","","","1","","","","has coordinates","241074","2020-10-21","18:00:00",""
"4130685","10.5269","0.0013","11.2332","0.0014","26.231","0.003","90","","90","","90","","3101.8","0.6","93","","93","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C34 H35 Cl2 N O5 S -","- C34 H35 Cl2 N O5 S -","- C136 H140 Cl8 N4 O20 S4 -","4","1","","Touge, Taichiro; Nara, Hideki; Fujiwhara, Mitsuhiko; Kayaki, Yoshihito; Ikariya, Takao","Efficient Access to Chiral Benzhydrols via Asymmetric Transfer Hydrogenation of Unsymmetrical Benzophenones with Bifunctional Oxo-Tethered Ruthenium Catalysts.","Journal of the American Chemical Society","2016","138","32","10084","10087","10.1021/jacs.6b05738","","","0.71075","MoKα","","","0.0467","","","","0.1116","","","","","","1","","","","has coordinates","241075","2020-10-21","18:00:00",""
"4130686","13.373","0.004","7.84","0.002","18.371","0.006","90","","109.497","0.005","90","","1815.7","0.9","93","","93","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C20 H13 Cl N2 O6 -","- C20 H13 Cl N2 O6 -","- C80 H52 Cl4 N8 O24 -","4","2","","Touge, Taichiro; Nara, Hideki; Fujiwhara, Mitsuhiko; Kayaki, Yoshihito; Ikariya, Takao","Efficient Access to Chiral Benzhydrols via Asymmetric Transfer Hydrogenation of Unsymmetrical Benzophenones with Bifunctional Oxo-Tethered Ruthenium Catalysts.","Journal of the American Chemical Society","2016","138","32","10084","10087","10.1021/jacs.6b05738","","","0.71075","MoKα","","","0.0604","","","","0.1009","","","","","","1.01","","","","has coordinates","241076","2020-10-21","18:00:00",""
"4130687","7.5905","0.0015","33.801","0.006","12.053","0.002","90","","107.278","0.003","90","","2952.9","0.9","93","","93","","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C31 H26 Cl2 F3 N O5 S -","- C31 H26 Cl2 F3 N O5 S -","- C124 H104 Cl8 F12 N4 O20 S4 -","4","2","","Touge, Taichiro; Nara, Hideki; Fujiwhara, Mitsuhiko; Kayaki, Yoshihito; Ikariya, Takao","Efficient Access to Chiral Benzhydrols via Asymmetric Transfer Hydrogenation of Unsymmetrical Benzophenones with Bifunctional Oxo-Tethered Ruthenium Catalysts.","Journal of the American Chemical Society","2016","138","32","10084","10087","10.1021/jacs.6b05738","","","0.71075","MoKα","","","0.0402","","","","0.0961","","","","","","1","","","","has coordinates","241077","2020-10-21","18:00:00",""
"4130688","33.429","0.009","7.7463","0.0016","12.033","0.003","90","","110.194","0.004","90","","2924.4","1.2","93","","93","","","","","","","","","7","C 1 2 1","C 2y","5","","","","- C31 H27 Cl2 F2 N O5 S -","- C31 H27 Cl2 F2 N O5 S -","- C124 H108 Cl8 F8 N4 O20 S4 -","4","1","","Touge, Taichiro; Nara, Hideki; Fujiwhara, Mitsuhiko; Kayaki, Yoshihito; Ikariya, Takao","Efficient Access to Chiral Benzhydrols via Asymmetric Transfer Hydrogenation of Unsymmetrical Benzophenones with Bifunctional Oxo-Tethered Ruthenium Catalysts.","Journal of the American Chemical Society","2016","138","32","10084","10087","10.1021/jacs.6b05738","","","0.71075","MoKα","","","0.0437","","","","0.1023","","","","","","1","","","","has coordinates","241078","2020-10-21","18:00:00",""
"4130689","9.7686","0.0006","10.9965","0.0007","17.577","0.0011","74.913","0.006","75.946","0.005","75.948","0.006","1735.7","0.2","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C19 H23 N O3 -","- C19 H23 N O3 -","- C76 H92 N4 O12 -","4","2","","Chelli, Saloua; Troshin, Konstantin; Mayer, Peter; Lakhdar, Sami; Ofial, Armin R.; Mayr, Herbert","Nucleophilicity Parameters of Stabilized Iodonium Ylides for Characterizing Their Synthetic Potential.","Journal of the American Chemical Society","2016","138","32","10304","10313","10.1021/jacs.6b05768","","","0.71073","MoKα","","0.0726","0.0499","","","0.1133","0.1312","","","","","","1.028","","","","has coordinates","241079","2020-10-21","18:00:00",""
"4130690","10.4286","0.0006","17.5922","0.001","17.2786","0.0011","90","","103.094","0.006","90","","3087.5","0.3","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C35 H42 N2 O4 -","- C35 H42 N2 O4 -","- C140 H168 N8 O16 -","4","1","","Chelli, Saloua; Troshin, Konstantin; Mayer, Peter; Lakhdar, Sami; Ofial, Armin R.; Mayr, Herbert","Nucleophilicity Parameters of Stabilized Iodonium Ylides for Characterizing Their Synthetic Potential.","Journal of the American Chemical Society","2016","138","32","10304","10313","10.1021/jacs.6b05768","","","0.71073","MoKα","","0.112","0.041","","","0.0709","0.0795","","","","","","0.763","","","","has coordinates","241079","2020-10-21","18:00:00",""
"4130691","10.8984","0.0011","11.283","0.0013","16.594","0.0018","90","","93.39","0.003","90","","2036.9","0.4","123","2","123","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C23 H25 Cl O4 -","- C23 H25 Cl O4 -","- C92 H100 Cl4 O16 -","4","1","","Chelli, Saloua; Troshin, Konstantin; Mayer, Peter; Lakhdar, Sami; Ofial, Armin R.; Mayr, Herbert","Nucleophilicity Parameters of Stabilized Iodonium Ylides for Characterizing Their Synthetic Potential.","Journal of the American Chemical Society","2016","138","32","10304","10313","10.1021/jacs.6b05768","","","0.71073","MoKα","","0.0829","0.0399","","","0.0859","0.0995","","","","","","1.015","","","","has coordinates","241079","2020-10-21","18:00:00",""
"4130692","8.2713","0.0001","17.2458","0.0002","18.0598","0.0002","90","","90","","90","","2576.14","0.05","289","2","289","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C30 H36 N2 O3 -","- C30 H36 N2 O3 -","- C120 H144 N8 O12 -","4","1","","Liu, Zhao-Jing; Lu, Xi; Wang, Guan; Li, Lei; Jiang, Wei-Tao; Wang, Yu-Dong; Xiao, Bin; Fu, Yao","Directing Group in Decarboxylative Cross-Coupling: Copper-Catalyzed Site-Selective C-N Bond Formation from Nonactivated Aliphatic Carboxylic Acids.","Journal of the American Chemical Society","2016","138","30","9714","9719","10.1021/jacs.6b05788","","","1.54184","CuKα","","0.0396","0.0357","","","0.1045","0.1128","","","","","","1.081","","","","has coordinates","241080","2020-10-21","18:00:00",""
"4130693","7.5991","0.0003","18.8542","0.0009","20.2166","0.0011","90","","90","","90","","2896.5","0.2","290","2","290","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C14 H17 Cl N2 O3 -","- C14 H17 Cl N2 O3 -","- C112 H136 Cl8 N16 O24 -","8","1","","Liu, Zhao-Jing; Lu, Xi; Wang, Guan; Li, Lei; Jiang, Wei-Tao; Wang, Yu-Dong; Xiao, Bin; Fu, Yao","Directing Group in Decarboxylative Cross-Coupling: Copper-Catalyzed Site-Selective C-N Bond Formation from Nonactivated Aliphatic Carboxylic Acids.","Journal of the American Chemical Society","2016","138","30","9714","9719","10.1021/jacs.6b05788","","","1.54184","CuKα","","0.0824","0.0663","","","0.185","0.207","","","","","","1.074","","","","has coordinates","241081","2020-10-21","18:00:00",""
"4130694","8.7063","0.0003","17.9769","0.0007","8.8307","0.0003","90","","103.621","0.004","90","","1343.24","0.09","290","2","290","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H20 N2 O -","- C15 H20 N2 O -","- C60 H80 N8 O4 -","4","1","","Liu, Zhao-Jing; Lu, Xi; Wang, Guan; Li, Lei; Jiang, Wei-Tao; Wang, Yu-Dong; Xiao, Bin; Fu, Yao","Directing Group in Decarboxylative Cross-Coupling: Copper-Catalyzed Site-Selective C-N Bond Formation from Nonactivated Aliphatic Carboxylic Acids.","Journal of the American Chemical Society","2016","138","30","9714","9719","10.1021/jacs.6b05788","","","1.54184","CuKα","","0.0461","0.0429","","","0.1158","0.1196","","","","","","1.068","","","","has coordinates","241082","2020-10-21","18:00:00",""
"4130695","35.0615","0.0011","14.9665","0.0003","30.3099","0.0007","90","","101.487","0.002","90","","15586.5","0.7","93","2","93","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C65.71 H62.97 I6.03 N12 O4.1 Zn3 -","- C65.714 H62.98 I6.0277 N12 O4.101 Zn3 -","- C525.712 H503.84 I48.2216 N96 O32.808 Zn24 -","8","1","","Yoshioka, Shota; Inokuma, Yasuhide; Duplan, Vincent; Dubey, Ritesh; Fujita, Makoto","X-ray Structure Analysis of Ozonides by the Crystalline Sponge Method.","Journal of the American Chemical Society","2016","138","32","10140","10142","10.1021/jacs.6b05817","","","0.71073","MoKα","","0.0743","0.0553","","","0.1585","0.1719","","","","","","1.1","","","","has coordinates,has disorder","241083","2020-10-21","18:00:00",""
"4130696","34.44","0.002","14.9178","0.0008","29.894","0.002","90","","99.307","0.006","90","","15156.4","1.6","93","2","93","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C52.6 H59.36 I6.02 N12 O2.55 Zn3 -","- C52.62 H59.392 I6.019 N12 O2.555 Zn3 -","- C420.96 H475.136 I48.152 N96 O20.44 Zn24 -","8","1","","Yoshioka, Shota; Inokuma, Yasuhide; Duplan, Vincent; Dubey, Ritesh; Fujita, Makoto","X-ray Structure Analysis of Ozonides by the Crystalline Sponge Method.","Journal of the American Chemical Society","2016","138","32","10140","10142","10.1021/jacs.6b05817","","","1.54184","CuKα","","0.135","0.0969","","","0.2784","0.3075","","","","","","1.062","","","","has coordinates,has disorder","241084","2020-10-21","18:00:00",""
"4130697","34.8492","0.0012","14.8584","0.0005","31.0351","0.001","90","","101.858","0.003","90","","15727.1","0.9","93","2","93","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C60.08 H52.04 I6 N12 O4.47 Zn3 -","- C62.405 H53.761 I6 N12 O5.122 Zn3 -","- C499.24 H430.088 I48 N96 O40.976 Zn24 -","8","1","","Yoshioka, Shota; Inokuma, Yasuhide; Duplan, Vincent; Dubey, Ritesh; Fujita, Makoto","X-ray Structure Analysis of Ozonides by the Crystalline Sponge Method.","Journal of the American Chemical Society","2016","138","32","10140","10142","10.1021/jacs.6b05817","","","1.54184","CuKα","","0.0792","0.0699","","","0.2045","0.2142","","","","","","1.046","","","","has coordinates,has disorder","241085","2020-10-21","18:00:00",""
"4130698","35.5334","0.0009","14.9227","0.0003","30.6034","0.001","90","","102.176","0.003","90","","15862.5","0.8","93","2","93","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C65.34 H67.68 I6 N12 O4.82 Zn3 -","- C65.348 H67.688 I6.0001 N12 O4.824 Zn3 -","- C522.784 H541.504 I48.0008 N96 O38.592 Zn24 -","8","1","","Yoshioka, Shota; Inokuma, Yasuhide; Duplan, Vincent; Dubey, Ritesh; Fujita, Makoto","X-ray Structure Analysis of Ozonides by the Crystalline Sponge Method.","Journal of the American Chemical Society","2016","138","32","10140","10142","10.1021/jacs.6b05817","","","1.54184","CuKα","","0.066","0.0621","","","0.1783","0.1845","","","","","","1.027","","","","has coordinates,has disorder","241086","2020-10-21","18:00:00",""
"4130699","10.2354","0.0005","22.4215","0.0011","20.0452","0.001","90","","92.5728","0.0016","90","","4595.6","0.4","200","2","200","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C72 H68 Al2 Cl4 F48 N2 O12 -","- C71.976 H67.982 Al2 Cl4 F47.964 N2 O11.994 -","- C143.952 H135.964 Al4 Cl8 F95.928 N4 O23.988 -","2","0.5","","Li, Tao; Tan, Gengwen; Shao, Dong; Li, Jing; Zhang, Zaichao; Song, You; Sui, Yunxia; Chen, Sheng; Fang, Yong; Wang, Xinping","Magnetic Bistability in a Discrete Organic Radical.","Journal of the American Chemical Society","2016","138","32","10092","10095","10.1021/jacs.6b05863","","","0.71073","MoKα","","0.0962","0.0643","","","0.174","0.1956","","","","","","1.074","","","","has coordinates,has disorder","241087","2020-10-21","18:00:00",""
"4130700","10.0924","0.0007","22.1142","0.0015","20.0895","0.0014","90","","92.8778","0.0019","90","","4478","0.5","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C72 H68 Al2 Cl4 F48 N2 O12 -","- C72 H68 Al2 Cl4 F48 N2 O12 -","- C144 H136 Al4 Cl8 F96 N4 O24 -","2","0.5","","Li, Tao; Tan, Gengwen; Shao, Dong; Li, Jing; Zhang, Zaichao; Song, You; Sui, Yunxia; Chen, Sheng; Fang, Yong; Wang, Xinping","Magnetic Bistability in a Discrete Organic Radical.","Journal of the American Chemical Society","2016","138","32","10092","10095","10.1021/jacs.6b05863","","","0.71073","MoKα","","0.0661","0.0492","","","0.1222","0.1324","","","","","","1.041","","","","has coordinates,has disorder","241089","2020-10-21","18:00:00",""
"4130701","8.7573","0.0007","9.2971","0.0008","17.9518","0.0015","96.322","0.001","96.085","0.001","98.476","0.001","1425.7","0.2","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H12 Co N5 O -","- C16 H12 Co N5 O -","- C64 H48 Co4 N20 O4 -","4","2","","Walter, Melody R.; Dzul, Stephen P.; Rodrigues, Andria V.; Stemmler, Timothy L.; Telser, Joshua; Conradie, Jeanet; Ghosh, Abhik; Harrop, Todd C.","Synthesis of Co(II)-NO(-) Complexes and Their Reactivity as a Source of Nitroxyl.","Journal of the American Chemical Society","2016","138","38","12459","12471","10.1021/jacs.6b05896","","","0.71073","MoKα","","0.0511","0.0487","","","0.1327","0.1355","","","","","","1.086","","","","has coordinates,has disorder","241090","2020-10-21","18:00:00",""
"4130702","21.947","0.004","31.682","0.006","32.585","0.007","68.47","0.03","71.98","0.03","87.32","0.03","19985","9","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C189.74 H179.72 Cl20.22 F4 N33 O33.99 -","- C189.74 H178.74 Cl20.2185 F4 N33 O33.988 -","- C758.958 H714.958 Cl80.874 F16 N132 O135.952 -","4","2","","Lautrette, Guillaume; Wicher, Barbara; Kauffmann, Brice; Ferrand, Yann; Huc, Ivan","Iterative Evolution of an Abiotic Foldamer Sequence for the Recognition of Guest Molecules with Atomic Precision.","Journal of the American Chemical Society","2016","138","32","10314","10322","10.1021/jacs.6b05913","","","0.85043","synchrotron","","0.235","0.1604","","","0.4103","0.4591","","","","","","1.577","","","","has coordinates,has disorder","241091","2020-10-21","18:00:00",""
"4130703","49.748","0.006","20.6649","0.0007","44.655","0.003","90","","120.124","0.007","90","","39707","6","130","2","130","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C172.93 H161.93 Cl11.79 F3 N31 O31 -","- C172.933 H161.933 Cl11.799 F3 N31 O31 -","- C1383.46 H1295.46 Cl94.392 F24 N248 O248 -","8","1","","Lautrette, Guillaume; Wicher, Barbara; Kauffmann, Brice; Ferrand, Yann; Huc, Ivan","Iterative Evolution of an Abiotic Foldamer Sequence for the Recognition of Guest Molecules with Atomic Precision.","Journal of the American Chemical Society","2016","138","32","10314","10322","10.1021/jacs.6b05913","","","1.54178","CuKα","","0.185","0.1376","","","0.3487","0.37","","","","","","2.072","","","","has coordinates,has disorder","241092","2020-10-21","18:00:00",""
"4130704","50.2","0.01","20.65","0.004","44.5","0.009","90","","119.95","0.03","90","","39970","18","130","2","130","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C176.69 H170.65 Cl26.07 F2 N32 O34.03 -","- C176.692 H166.192 Cl26.076 F2 N32 O34.034 -","- C1413.54 H1329.54 Cl208.608 F16 N256 O272.272 -","8","1","","Lautrette, Guillaume; Wicher, Barbara; Kauffmann, Brice; Ferrand, Yann; Huc, Ivan","Iterative Evolution of an Abiotic Foldamer Sequence for the Recognition of Guest Molecules with Atomic Precision.","Journal of the American Chemical Society","2016","138","32","10314","10322","10.1021/jacs.6b05913","","","1.54178","CuKα","","0.1448","0.1189","","","0.3267","0.3453","","","","","","1.263","","","","has coordinates,has disorder","241093","2020-10-21","18:00:00",""
"4130705","49.435","0.003","20.803","0.0006","44.896","0.002","90","","120.02","0.002","90","","39977","3","130","2","130","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C175.19 H167.07 Cl18.58 F3 N31 O33.45 -","- C175.188 H164.188 Cl18.564 F3 N31 O33.454 -","- C1401.5 H1313.5 Cl148.512 F24 N248 O267.632 -","8","1","","Lautrette, Guillaume; Wicher, Barbara; Kauffmann, Brice; Ferrand, Yann; Huc, Ivan","Iterative Evolution of an Abiotic Foldamer Sequence for the Recognition of Guest Molecules with Atomic Precision.","Journal of the American Chemical Society","2016","138","32","10314","10322","10.1021/jacs.6b05913","","","1.54178","CuKα","","0.2248","0.1826","","","0.4648","0.492","","","","","","1.643","","","","has coordinates,has disorder","241094","2020-10-21","18:00:00",""
"4130706","21.071","0.004","24.247","0.005","25.223","0.005","73.88","0.03","76.97","0.03","69.57","0.03","11482","5","130","2","130","2","","","","","","","","6","P -1","-P 1","2","","","","- C195.18 H194.65 Cl18.55 F4 N33 O35.73 -","- C195.176 H191.176 Cl18.528 F4 N33 O35.735 -","- C390.352 H382.352 Cl37.056 F8 N66 O71.47 -","2","1","","Lautrette, Guillaume; Wicher, Barbara; Kauffmann, Brice; Ferrand, Yann; Huc, Ivan","Iterative Evolution of an Abiotic Foldamer Sequence for the Recognition of Guest Molecules with Atomic Precision.","Journal of the American Chemical Society","2016","138","32","10314","10322","10.1021/jacs.6b05913","","","1.54178","CuKα","","0.2266","0.1841","","","0.4481","0.4747","","","","","","1.672","","","","has coordinates,has disorder","241095","2020-10-21","18:00:00",""
"4130707","19.64","0.004","22.54","0.005","39.4","0.008","90","","101.49","0.03","90","","17092","6","130","2","130","2","","","","","","","","5","P 1 2/n 1","-P 2yac","13","","","","- C141.74 H140.4 Cl5.22 N28 O31.34 -","- C141.742 H133.742 Cl5.226 N28 O31.334 -","- C566.968 H534.968 Cl20.904 N112 O125.336 -","4","1","","Lautrette, Guillaume; Wicher, Barbara; Kauffmann, Brice; Ferrand, Yann; Huc, Ivan","Iterative Evolution of an Abiotic Foldamer Sequence for the Recognition of Guest Molecules with Atomic Precision.","Journal of the American Chemical Society","2016","138","32","10314","10322","10.1021/jacs.6b05913","","","1.54178","CuKα","","0.2255","0.1937","","","0.4856","0.5086","","","","","","1.836","","","","has coordinates,has disorder","241096","2020-10-21","18:00:00",""
"4130708","26.125","0.002","13.1556","0.001","15.3654","0.0012","90","","108.347","0.003","90","","5012.5","0.7","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C62 H58 N6 O2 Ti -","- C58 H50 N6 O Ti -","- C232 H200 N24 O4 Ti4 -","4","0.5","","Zhang, Yu; Petersen, Jeffrey L.; Milsmann, Carsten","A Luminescent Zirconium(IV) Complex as a Molecular Photosensitizer for Visible Light Photoredox Catalysis.","Journal of the American Chemical Society","2016","138","40","13115","13118","10.1021/jacs.6b05934","","","0.71073","MoKα","","0.1016","0.0641","","","0.1417","0.1563","","","","","","1.076","","","","has coordinates,has disorder","241097","2020-10-21","18:00:00",""
"4130709","13.9916","0.0008","14.6671","0.0008","15.0683","0.0009","67.0258","0.0014","64.2263","0.0015","80.3251","0.0015","2563.8","0.3","140","2","140","2","","","","","","","","5","P -1","-P 1","2","","","","- C58.5 H52 Cl4 N6 Zr -","- C55 H44 Cl2 N6 Zr -","- C110 H88 Cl4 N12 Zr2 -","2","1","","Zhang, Yu; Petersen, Jeffrey L.; Milsmann, Carsten","A Luminescent Zirconium(IV) Complex as a Molecular Photosensitizer for Visible Light Photoredox Catalysis.","Journal of the American Chemical Society","2016","138","40","13115","13118","10.1021/jacs.6b05934","","","0.71073","MoKα","","0.0953","0.062","","","0.1639","0.1813","","","","","","1.063","","","","has coordinates","241098","2020-10-21","18:00:00",""
"4130710","14.033","0.001","15.4827","0.001","18.3458","0.0014","66.7781","0.0019","68.3245","0.0019","78.74","0.002","3398.3","0.4","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C80.5 H86 Li N6 O4 Ti -","- C80.5 H86 Li N6 O4 Ti -","- C161 H172 Li2 N12 O8 Ti2 -","2","1","","Zhang, Yu; Petersen, Jeffrey L.; Milsmann, Carsten","A Luminescent Zirconium(IV) Complex as a Molecular Photosensitizer for Visible Light Photoredox Catalysis.","Journal of the American Chemical Society","2016","138","40","13115","13118","10.1021/jacs.6b05934","","","0.71073","MoKα","","0.1131","0.0639","","","0.1397","0.1698","","","","","","1.02","","","","has coordinates,has disorder","241099","2020-10-21","18:00:00",""
"4130711","15.2333","0.0006","21.899","0.0009","15.621","0.0008","90","","113.682","0.0013","90","","4772.2","0.4","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C28 H25 Cl2 N3 -","- C28 H25 Cl2 N3 -","- C224 H200 Cl16 N24 -","8","1","","Zhang, Yu; Petersen, Jeffrey L.; Milsmann, Carsten","A Luminescent Zirconium(IV) Complex as a Molecular Photosensitizer for Visible Light Photoredox Catalysis.","Journal of the American Chemical Society","2016","138","40","13115","13118","10.1021/jacs.6b05934","","","0.71073","MoKα","","0.0758","0.0609","","","0.1708","0.1836","","","","","","1.029","","","","has coordinates","241100","2020-10-21","18:00:00",""
"4130712","7.087","0.0006","9.4712","0.0008","14.736","0.0013","90","","95.033","0.002","90","","985.3","0.15","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","Y-PT","toste138","","- C25 H21 Br O2 -","- C25 H21 Br O2 -","- C50 H42 Br2 O4 -","2","1","","Yang, Zhenyu; He, Ying; Toste, F. Dean","Biomimetic Approach to the Catalytic Enantioselective Synthesis of Flavonoids.","Journal of the American Chemical Society","2016","138","31","9775","9778","10.1021/jacs.6b05939","","","0.71073","MoKα","","0.0304","0.0276","","","0.0659","0.0669","","","","","","1.063","","","","has coordinates","241101","2020-10-21","18:00:00",""
"4130713","17.2028","0.0013","15.4349","0.0011","11.5463","0.0008","90","","90.05","0.003","90","","3065.8","0.4","100","","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C22 H16 Cl8 N5 O7 Ru2 -","- C22 H16 Cl8 N5 O7 Ru2 -","- C88 H64 Cl32 N20 O28 Ru8 -","4","1","","Corcos, Amanda R.; Pap, József S; Yang, Tzuhsiung; Berry, John F.","A Synthetic Oxygen Atom Transfer Photocycle from a Diruthenium Oxyanion Complex.","Journal of the American Chemical Society","2016","138","31","10032","10040","10.1021/jacs.6b05942","","x-ray","0.71073","MoKα","","0.0271","0.0258","","","0.0667","0.0683","","","","","","1.075","","","","has coordinates,has disorder","241102","2020-10-21","18:00:00",""
"4130714","11.5392","0.0006","16.7038","0.0009","16.6387","0.0009","90","","93.965","0.003","90","","3199.4","0.3","100.1","","100.1","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C22 H16 Cl9 N4 O8 Ru2 -","- C22 H16 Cl9 N4 O8 Ru2 -","- C88 H64 Cl36 N16 O32 Ru8 -","4","1","","Corcos, Amanda R.; Pap, József S; Yang, Tzuhsiung; Berry, John F.","A Synthetic Oxygen Atom Transfer Photocycle from a Diruthenium Oxyanion Complex.","Journal of the American Chemical Society","2016","138","31","10032","10040","10.1021/jacs.6b05942","","x-ray","0.71073","MoKα","","0.0617","0.0473","","","0.1021","0.1122","","","","","","1.058","","","","has coordinates,has disorder","241102","2020-10-21","18:00:00",""
"4130715","10.0156","0.0004","8.0639","0.0003","22.8556","0.0009","90","","97.721","0.001","90","","1829.19","0.12","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","197","","","- C23 H23 N O S -","- C23 H23 N O S -","- C92 H92 N4 O4 S4 -","4","1","","Wiedbrauk, Sandra; Maerz, Benjamin; Samoylova, Elena; Reiner, Anne; Trommer, Florian; Mayer, Peter; Zinth, Wolfgang; Dube, Henry","Twisted Hemithioindigo Photoswitches: Solvent Polarity Determines the Type of Light-Induced Rotations.","Journal of the American Chemical Society","2016","138","37","12219","12227","10.1021/jacs.6b05981","","","0.71073","MoKα","","0.06","0.0457","","","0.1099","0.1167","","","","","","1.068","","","","has coordinates,has disorder","241103","2020-10-21","18:00:00",""
"4130716","9.3079","0.0008","12.1781","0.0012","13.2465","0.0013","106.732","0.003","92.499","0.003","108.633","0.003","1347.3","0.2","100","2","100","2","","","","","","","","5","P -1","-P 1","2","8-2","","","- C17 H15 N O S -","- C17 H15 N O S -","- C68 H60 N4 O4 S4 -","4","2","","Wiedbrauk, Sandra; Maerz, Benjamin; Samoylova, Elena; Reiner, Anne; Trommer, Florian; Mayer, Peter; Zinth, Wolfgang; Dube, Henry","Twisted Hemithioindigo Photoswitches: Solvent Polarity Determines the Type of Light-Induced Rotations.","Journal of the American Chemical Society","2016","138","37","12219","12227","10.1021/jacs.6b05981","","","0.71073","MoKα","","0.0804","0.0575","","","0.1193","0.1287","","","","","","1.075","","","","has coordinates","241104","2020-10-21","18:00:00",""
"4130717","8.331","0.0004","9.1106","0.0004","11.7677","0.0005","78.4434","0.0013","88.9037","0.0013","63.9928","0.0011","784.06","0.06","123","2","123","2","","","","","","","","5","P -1","-P 1","2","","","","- C19 H19 N O S -","- C19 H19 N O S -","- C38 H38 N2 O2 S2 -","2","1","","Wiedbrauk, Sandra; Maerz, Benjamin; Samoylova, Elena; Reiner, Anne; Trommer, Florian; Mayer, Peter; Zinth, Wolfgang; Dube, Henry","Twisted Hemithioindigo Photoswitches: Solvent Polarity Determines the Type of Light-Induced Rotations.","Journal of the American Chemical Society","2016","138","37","12219","12227","10.1021/jacs.6b05981","","","0.71073","MoKα","","0.037","0.0335","","","0.0856","0.088","","","","","","1.051","","","","has coordinates","241104","2020-10-21","18:00:00",""
"4130718","9.7376","0.0003","18.717","0.0006","8.9622","0.0003","90","","97.579","0.001","90","","1619.17","0.09","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","48-2","","","- C19 H19 N O S -","- C19 H19 N O S -","- C76 H76 N4 O4 S4 -","4","1","","Wiedbrauk, Sandra; Maerz, Benjamin; Samoylova, Elena; Reiner, Anne; Trommer, Florian; Mayer, Peter; Zinth, Wolfgang; Dube, Henry","Twisted Hemithioindigo Photoswitches: Solvent Polarity Determines the Type of Light-Induced Rotations.","Journal of the American Chemical Society","2016","138","37","12219","12227","10.1021/jacs.6b05981","","","0.71073","MoKα","","0.0521","0.0401","","","0.0987","0.109","","","","","","1.059","","","","has coordinates","241104","2020-10-21","18:00:00",""
"4130719","10.6412","0.0004","21.109","0.0007","24.0776","0.0008","90","","98.404","0.001","90","","5350.4","0.3","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C53.92 H70.81 Cl5.04 N O3 P Pd -","- C53.924 H70.81 Cl5.038 N O3 P Pd -","- C215.696 H283.24 Cl20.152 N4 O12 P4 Pd4 -","4","1","","Arrechea, Pedro Luis; Buchwald, Stephen L.","Biaryl Phosphine Based Pd(II) Amido Complexes: The Effect of Ligand Structure on Reductive Elimination.","Journal of the American Chemical Society","2016","138","38","12486","12493","10.1021/jacs.6b05990","","","0.71073","MoKα","","0.0423","0.0357","","","0.0918","0.0955","","","","","","1.089","","","","has coordinates,has disorder","241105","2020-10-21","18:00:00",""
"4130720","17.8561","0.0014","18.1897","0.0014","19.0033","0.0014","72.848","0.001","79.98","0.001","77.541","0.001","5718.4","0.8","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C61.55 H82.84 N O5 P Pd -","- C61.5493 H82.8583 N O5 P Pd -","- C246.197 H331.433 N4 O20 P4 Pd4 -","4","2","","Arrechea, Pedro Luis; Buchwald, Stephen L.","Biaryl Phosphine Based Pd(II) Amido Complexes: The Effect of Ligand Structure on Reductive Elimination.","Journal of the American Chemical Society","2016","138","38","12486","12493","10.1021/jacs.6b05990","","","0.71073","MoKα","","0.0619","0.0413","","","0.101","0.114","","","","","","1.032","","","","has coordinates,has disorder","241106","2020-10-21","18:00:00",""
"4130721","16.647","0.0019","20.8853","0.0012","31.0722","0.0013","72.542","0.003","76.013","0.002","70.335","0.003","9584.6","1.3","291","2","291","2","","","","","","","","4","P -1","-P 1","2","","","","- C150 H225 Au21 S15 -","- C150 H225 Au21 S15 -","- C300 H450 Au42 S30 -","2","1","","Chen, Shuang; Xiong, Lin; Wang, Shuxin; Ma, Zhongyun; Jin, Shan; Sheng, Hongting; Pei, Yong; Zhu, Manzhou","Total Structure Determination of Au21(S-Adm)15 and Geometrical/Electronic Structure Evolution of Thiolated Gold Nanoclusters.","Journal of the American Chemical Society","2016","138","34","10754","10757","10.1021/jacs.6b06004","","","0.71073","MoKα","","0.0727","0.0517","","","0.1169","0.1208","","","","","","1.028","","","","has coordinates","241107","2020-10-21","18:00:00",""
"4130722","9.168","0.005","18.831","0.005","16.883","0.005","90","","101.02","0.005","90","","2861","1.9","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C26 H47 B Co N O3 P2 -","- C26 H47 B Co N O3 P2 -","- C104 H188 B4 Co4 N4 O12 P8 -","4","1","","Obligacion, Jennifer V.; Semproni, Scott P.; Pappas, Iraklis; Chirik, Paul J.","Cobalt-Catalyzed C(sp(2))-H Borylation: Mechanistic Insights Inspire Catalyst Design.","Journal of the American Chemical Society","2016","138","33","10645","10653","10.1021/jacs.6b06144","","","0.71073","MoKα","","0.0364","0.0281","","","0.0695","0.0806","","","","","","1.075","","","","has coordinates","241108","2020-10-21","18:00:00",""
"4130723","10.759","0.002","15.982","0.003","19.173","0.004","90","","93.152","0.004","90","","3291.8","1.1","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C29 H56 B Co N2 O2 P2 -","- C29 H56 B Co N2 O2 P2 -","- C116 H224 B4 Co4 N8 O8 P8 -","4","1","","Obligacion, Jennifer V.; Semproni, Scott P.; Pappas, Iraklis; Chirik, Paul J.","Cobalt-Catalyzed C(sp(2))-H Borylation: Mechanistic Insights Inspire Catalyst Design.","Journal of the American Chemical Society","2016","138","33","10645","10653","10.1021/jacs.6b06144","","","0.71073","MoKα","","0.0918","0.0822","","","0.205","0.2107","","","","","","1.152","","","","has coordinates,has disorder","241108","2020-10-21","18:00:00",""
"4130724","9.9557","0.0004","16.117","0.0006","20.4822","0.0009","90","","98.647","0.002","90","","3249.1","0.2","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C29 H54 B Co N4 O2 P2 -","- C29 H54 B Co N4 O2 P2 -","- C116 H216 B4 Co4 N16 O8 P8 -","4","1","","Obligacion, Jennifer V.; Semproni, Scott P.; Pappas, Iraklis; Chirik, Paul J.","Cobalt-Catalyzed C(sp(2))-H Borylation: Mechanistic Insights Inspire Catalyst Design.","Journal of the American Chemical Society","2016","138","33","10645","10653","10.1021/jacs.6b06144","","","0.71073","MoKα","","0.09","0.0456","","","0.0877","0.1025","","","","","","1.019","","","","has coordinates","241108","2020-10-21","18:00:00",""
"4130725","11.6915","0.0005","12.0608","0.0004","13.9689","0.0005","73.388","0.001","82.644","0.001","85.856","0.001","1870.67","0.12","101","2","101","2","","","","","","","","8","P -1","-P 1","2","","","","- C33 H63 B Cl Ir N2 O3 P2 -","- C33 H63 B Cl Ir N2 O3 P2 -","- C66 H126 B2 Cl2 Ir2 N4 O6 P4 -","2","1","","Obligacion, Jennifer V.; Semproni, Scott P.; Pappas, Iraklis; Chirik, Paul J.","Cobalt-Catalyzed C(sp(2))-H Borylation: Mechanistic Insights Inspire Catalyst Design.","Journal of the American Chemical Society","2016","138","33","10645","10653","10.1021/jacs.6b06144","","","0.71073","MoKα","","0.0257","0.0235","","","0.054","0.056","","","","","","1.124","","","","has coordinates,has disorder","241108","2020-10-21","18:00:00",""
"4130726","9.5","0.0003","17.9686","0.0006","10.8015","0.0004","90","","114.926","0.001","90","","1672.09","0.1","101","2","101","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C29 H56 B Ir N2 O2 P2 -","- C29 H56 B Ir N2 O2 P2 -","- C58 H112 B2 Ir2 N4 O4 P4 -","2","1","","Obligacion, Jennifer V.; Semproni, Scott P.; Pappas, Iraklis; Chirik, Paul J.","Cobalt-Catalyzed C(sp(2))-H Borylation: Mechanistic Insights Inspire Catalyst Design.","Journal of the American Chemical Society","2016","138","33","10645","10653","10.1021/jacs.6b06144","","","0.71073","MoKα","","0.0179","0.0169","","","0.0417","0.042","","","","","","1.089","","","","has coordinates","241108","2020-10-21","18:00:00",""
"4130727","10.9273","0.0004","13.5197","0.0005","21.0752","0.0007","76.249","0.002","79.975","0.002","83.708","0.002","2970.52","0.19","107","2","107","2","","","","","","","","8","P -1","-P 1","2","","","","- C25 H46 B Cl Co N O2 P2 -","- C25 H46 B Cl Co N O2 P2 -","- C100 H184 B4 Cl4 Co4 N4 O8 P8 -","4","2","","Obligacion, Jennifer V.; Semproni, Scott P.; Pappas, Iraklis; Chirik, Paul J.","Cobalt-Catalyzed C(sp(2))-H Borylation: Mechanistic Insights Inspire Catalyst Design.","Journal of the American Chemical Society","2016","138","33","10645","10653","10.1021/jacs.6b06144","","","1.54178","CuKα","","0.0741","0.0651","","","0.1586","0.166","","","","","","1.103","","","","has coordinates","241108","2020-10-21","18:00:00",""
"4130728","11.1743","0.0002","22.1777","0.0005","14.5277","0.0003","90","","90.804","0.001","90","","3599.9","0.13","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C31 H60 B2 Co N O4 P2 -","- C31 H60 B2 Co N O4 P2 -","- C124 H240 B8 Co4 N4 O16 P8 -","4","1","","Obligacion, Jennifer V.; Semproni, Scott P.; Pappas, Iraklis; Chirik, Paul J.","Cobalt-Catalyzed C(sp(2))-H Borylation: Mechanistic Insights Inspire Catalyst Design.","Journal of the American Chemical Society","2016","138","33","10645","10653","10.1021/jacs.6b06144","","","1.54178","CuKα","","0.0369","0.0341","","","0.0818","0.0843","","","","","","1.072","","","","has coordinates","241108","2020-10-21","18:00:00",""
"4130729","6.4718","0.0004","7.7276","0.0006","7.9956","0.0005","68.426","0.007","85.638","0.005","87.899","0.006","370.76","0.05","293","2","293.15","","","","","","","","","4","P 1","P 1","1","","","","- C17 H15 N O4 -","- C17 H15 N O4 -","- C17 H15 N O4 -","1","1","","Huo, Xiaohong; He, Rui; Zhang, Xiao; Zhang, Wanbin","An Ir/Zn Dual Catalysis for Enantio- and Diastereodivergent α-Allylation of α-Hydroxyketones.","Journal of the American Chemical Society","2016","138","35","11093","11096","10.1021/jacs.6b06156","","","1.54184","CuKα","","0.0394","0.0366","","","0.0983","0.1025","","","","","","1.034","","","","has coordinates","241109","2020-10-21","18:00:00",""
"4130730","5.7846","0.0018","10.081","0.002","20.654","0.018","90","","95.51","0.03","90","","1198.9","1.1","301","2","301","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C27 H25 N O5 -","- C27 H25 N O5 -","- C54 H50 N2 O10 -","2","1","","Huo, Xiaohong; He, Rui; Zhang, Xiao; Zhang, Wanbin","An Ir/Zn Dual Catalysis for Enantio- and Diastereodivergent α-Allylation of α-Hydroxyketones.","Journal of the American Chemical Society","2016","138","35","11093","11096","10.1021/jacs.6b06156","","","1.54178","CuKα","","0.0692","0.0653","","","0.2178","0.2209","","","","","","1.019","","","","has coordinates","241110","2020-10-21","18:00:00",""
"4130731","14.8428","0.0004","18.9967","0.0006","10.3327","0.0003","90","","90","","90","","2913.45","0.15","293","2","293","2","","","","","","","","4","P 21 21 2","P 2 2ab","18","","","","- C17 H18 N0 O2 -","- C17 H18 O2 -","- C136 H144 O16 -","8","2","","Huo, Xiaohong; He, Rui; Zhang, Xiao; Zhang, Wanbin","An Ir/Zn Dual Catalysis for Enantio- and Diastereodivergent α-Allylation of α-Hydroxyketones.","Journal of the American Chemical Society","2016","138","35","11093","11096","10.1021/jacs.6b06156","","","1.54178","CuKα","","0.0292","0.0285","","","0.0785","0.0792","","","","","","1.047","","","","has coordinates","241111","2020-10-21","18:00:00",""
"4130732","6.6302","0.0002","7.9041","0.0002","26.5947","0.0008","90","","90","","90","","1393.72","0.07","125","2","125","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","(3aR,7aS)-3a-(3,4-Dimethoxyphenyl)hexahydrobenzofuran-2,4-dione","","- C16 H18 O5 -","- C16 H18 O5 -","- C64 H72 O20 -","4","1","","Wu, Xuesong; Chen, Zhiwei; Bai, Yu-Bin; Dong, Vy M.","Diastereodivergent Construction of Bicyclic γ-Lactones via Enantioselective Ketone Hydroacylation.","Journal of the American Chemical Society","2016","138","37","12013","12016","10.1021/jacs.6b06227","","x-ray","1.54178","CuKα","","0.0284","0.0281","","","0.0721","0.0725","","","","","","1.084","","","","has coordinates","241112","2020-10-21","18:00:00",""
"4130733","10.7939","0.0002","6.1019","0.0001","11.603","0.0003","90","","109.966","0.001","90","","718.28","0.03","125","","125","","","","","","","","","3","P 1 21 1","P 2yb","4","","(3aR,7aS)-3a-Benzyl-6,6-dimethylhexahydrobenzofuran-2,4-dione","","- C17 H20 O3 -","- C17 H20 O3 -","- C34 H40 O6 -","2","1","","Wu, Xuesong; Chen, Zhiwei; Bai, Yu-Bin; Dong, Vy M.","Diastereodivergent Construction of Bicyclic γ-Lactones via Enantioselective Ketone Hydroacylation.","Journal of the American Chemical Society","2016","138","37","12013","12016","10.1021/jacs.6b06227","","x-ray","1.54178","CuKα","","0.027","0.0261","","","0.0639","0.0646","","","","","","1.047","","","","has coordinates","241113","2020-10-21","18:00:00",""
"4130734","5.8192","0.0001","8.5684","0.0002","29.2539","0.0005","90","","90","","90","","1458.64","0.05","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","(3aS,7aS)-3a-Benzyl-6,6-dimethylhexahydrobenzofuran-2,4-dione","","- C17 H20 O3 -","- C17 H20 O3 -","- C68 H80 O12 -","4","1","","Wu, Xuesong; Chen, Zhiwei; Bai, Yu-Bin; Dong, Vy M.","Diastereodivergent Construction of Bicyclic γ-Lactones via Enantioselective Ketone Hydroacylation.","Journal of the American Chemical Society","2016","138","37","12013","12016","10.1021/jacs.6b06227","","","1.54178","CuKα","","0.0337","0.0327","","","0.0837","0.0844","","","","","","1.1","","","","has coordinates","241114","2020-10-21","18:00:00",""
"4130735","18.126","0.014","20.015","0.015","21.79","0.016","109.155","0.009","103.794","0.009","99.7","0.01","6985","9","100","2","100","","","","","","","","","7","P -1","-P 1","2","","","","- C2.48 H1.71 Cl0.05 O0.45 P0.05 Rh0.05 Zr0.08 -","- C2.45333 H1.70667 Cl0.0533333 O0.453333 P0.0533333 Rh0.0533333 Zr0.08 -","- C184 H128 Cl4 O34 P4 Rh4 Zr6 -","75","37.5","","Sawano, Takahiro; Lin, Zekai; Boures, Dean; An, Bing; Wang, Cheng; Lin, Wenbin","Metal-Organic Frameworks Stabilize Mono(phosphine)-Metal Complexes for Broad-Scope Catalytic Reactions.","Journal of the American Chemical Society","2016","138","31","9783","9786","10.1021/jacs.6b06239","","","0.41328","synchrotron","","0.1636","0.1189","","","0.3042","0.3358","","","","","","1.113","","","","has coordinates,has disorder","241115","2020-10-21","18:00:00",""
"4130736","19.783","0.007","21.51","0.007","23.023","0.008","117.806","0.004","111.824","0.004","90.022","0.005","7862","5","100","2","100","","","","","","","","","5","P -1","-P 1","2","","","","- C2.61 Ir0.07 O0.61 P0.07 Zr0.1 -","- C2.61017 Ir0.0550847 O0.610169 P0.0677966 Zr0.101695 -","- C154 Ir3.25 O36 P4 Zr6 -","59","29.5","","Sawano, Takahiro; Lin, Zekai; Boures, Dean; An, Bing; Wang, Cheng; Lin, Wenbin","Metal-Organic Frameworks Stabilize Mono(phosphine)-Metal Complexes for Broad-Scope Catalytic Reactions.","Journal of the American Chemical Society","2016","138","31","9783","9786","10.1021/jacs.6b06239","","","0.41328","synchrotron","","0.2091","0.1346","","","0.3304","0.3683","","","","","","1.045","","","","has coordinates","241116","2020-10-21","18:00:00",""
"4130737","9.9287","0.0003","23.4031","0.0007","13.6432","0.0004","90","","97.655","0.003","90","","3141.91","0.16","123","2","123","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","(Z)-(2-(di-p-tolylmethoxy)vinyl)triphenylphosphonium trifluoromethanesulfonate","","- C36 H32 F3 O4 P S -","- C36 H32 F3 O4 P S -","- C144 H128 F12 O16 P4 S4 -","4","1","","Byrne, Peter A.; Karaghiosoff, Konstantin; Mayr, Herbert","Ambident Reactivity of Acetyl- and Formyl-Stabilized Phosphonium Ylides.","Journal of the American Chemical Society","2016","138","35","11272","11281","10.1021/jacs.6b06264","","","0.71073","MoKα","","0.0703","0.0482","","","0.116","0.1309","","","","","","1.029","","","","has coordinates","241117","2020-10-21","18:00:00",""
"4130738","14.8092","0.0003","18.0751","0.0003","25.1097","0.0004","90","","90","","90","","6721.3","0.2","123","2","123","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","(Z)-(2-(di-p-tolylmethoxy)prop-1-en-1-yl)triphenylphosphonium trifluoromethanesulfonate","","- C37 H34 F3 O4 P S -","- C37 H34 F3 O4 P S -","- C296 H272 F24 O32 P8 S8 -","8","1","","Byrne, Peter A.; Karaghiosoff, Konstantin; Mayr, Herbert","Ambident Reactivity of Acetyl- and Formyl-Stabilized Phosphonium Ylides.","Journal of the American Chemical Society","2016","138","35","11272","11281","10.1021/jacs.6b06264","","","0.71073","MoKα","","0.06","0.0396","","","0.0901","0.1017","","","","","","1.022","","","","has coordinates","241117","2020-10-21","18:00:00",""
"4130739","13.6438","0.0015","18.702","0.002","23.756","0.003","78.05","0.006","76.92","0.006","72.03","0.006","5554.5","1.1","100","2","100","2","","","","","","","","3","P -1","-P 1","2","btpa_tcne","btpa_tcne","","- C47 H37 N5 -","- C47 H37 N5 -","- C282 H222 N30 -","6","3","","Li, Zhong'an; Zhu, Zonglong; Chueh, Chu-Chen; Jo, Sae Byeok; Luo, Jingdong; Jang, Sei-Hum; Jen, Alex K.-Y.","Rational Design of Dipolar Chromophore as an Efficient Dopant-Free Hole-Transporting Material for Perovskite Solar Cells.","Journal of the American Chemical Society","2016","138","36","11833","11839","10.1021/jacs.6b06291","","","0.71073","MoKα","","0.1543","0.0741","","","0.1726","0.2122","","","","","","1.021","","","","has coordinates,has disorder","241118","2020-10-21","18:00:00",""
"4130740","5.5631","0.0004","17.6908","0.0013","21.5907","0.0016","90","","90.0191","0.0013","90","","2124.9","0.3","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C25 H29 N O S -","- C25 H29 N O S -","- C100 H116 N4 O4 S4 -","4","2","","Yang, Yang; Perry, Ian B.; Buchwald, Stephen L.","Copper-Catalyzed Enantioselective Addition of Styrene-Derived Nucleophiles to Imines Enabled by Ligand-Controlled Chemoselective Hydrocupration.","Journal of the American Chemical Society","2016","138","31","9787","9790","10.1021/jacs.6b06299","","","0.71073","MoKα","","0.0472","0.0424","","","0.1017","0.1055","","","","","","1.05","","","","has coordinates,has disorder","241119","2020-10-21","18:00:00",""
"4130741","12.3219","0.0015","9.9416","0.0012","20.196","0.003","90","","107.031","0.003","90","","2365.5","0.5","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C27 H25 Br N O P -","- C27 H25 Br N O P -","- C108 H100 Br4 N4 O4 P4 -","4","2","","Yang, Yang; Perry, Ian B.; Buchwald, Stephen L.","Copper-Catalyzed Enantioselective Addition of Styrene-Derived Nucleophiles to Imines Enabled by Ligand-Controlled Chemoselective Hydrocupration.","Journal of the American Chemical Society","2016","138","31","9787","9790","10.1021/jacs.6b06299","","","0.71073","MoKα","","0.0498","0.0444","","","0.1082","0.1112","","","","","","1.066","","","","has coordinates","241120","2020-10-21","18:00:00",""
"4130742","10.7037","0.0004","28.6071","0.001","9.3466","0.0003","90","","104.826","0.001","90","","2766.66","0.17","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H36 Cl N9 O9 -","- C19 H36 Cl N9 O9 -","- C76 H144 Cl4 N36 O36 -","4","1","","Maity, Arunava; Gangopadhyay, Monalisa; Basu, Arghya; Aute, Sunil; Babu, Sukumaran Santhosh; Das, Amitava","Counteranion Driven Homochiral Assembly of a Cationic C3-Symmetric Gelator through Ion-Pair Assisted Hydrogen Bond.","Journal of the American Chemical Society","2016","138","35","11113","11116","10.1021/jacs.6b06312","","","1.54178","CuKα","","0.0768","0.0722","","","0.2113","0.217","","","","","","1.003","","","","has coordinates","241121","2020-10-21","18:00:00",""
"4130743","18.376","0.005","7.384","0.002","26.915","0.007","90","","104.57","0.017","90","","3534.6","1.7","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C30 H40 N9 O5 S -","- C30 H40 N9 O5 S -","- C120 H160 N36 O20 S4 -","4","1","","Maity, Arunava; Gangopadhyay, Monalisa; Basu, Arghya; Aute, Sunil; Babu, Sukumaran Santhosh; Das, Amitava","Counteranion Driven Homochiral Assembly of a Cationic C3-Symmetric Gelator through Ion-Pair Assisted Hydrogen Bond.","Journal of the American Chemical Society","2016","138","35","11113","11116","10.1021/jacs.6b06312","","","1.54178","CuKα","","0.2718","0.2114","","","0.5036","0.5381","","","","","","1.415","","","","has coordinates","241121","2020-10-21","18:00:00",""
"4130744","18.411","0.004","7.3949","0.0016","26.935","0.006","90","","104.741","0.012","90","","3546.4","1.4","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C30 H40 N9 O5 S -","- C30 H40 N9 O5 S -","- C120 H160 N36 O20 S4 -","4","1","","Maity, Arunava; Gangopadhyay, Monalisa; Basu, Arghya; Aute, Sunil; Babu, Sukumaran Santhosh; Das, Amitava","Counteranion Driven Homochiral Assembly of a Cationic C3-Symmetric Gelator through Ion-Pair Assisted Hydrogen Bond.","Journal of the American Chemical Society","2016","138","35","11113","11116","10.1021/jacs.6b06312","","","1.54178","CuKα","","0.2643","0.1932","","","0.5014","0.523","","","","","","1.617","","","","has coordinates","241121","2020-10-21","18:00:00",""
"4130745","14.621","0.004","18.621","0.005","35.518","0.009","90","","94.254","0.003","90","","9643","4","100","2","100","2","","","","","","","","9","P 1 21/c 1","-P 2ybc","14","","","","- C108 H82 B Cl F24 N2 P2 Pd S2 -","- C108 H82 B Cl F24 N2 P2 Pd S2 -","- C432 H328 B4 Cl4 F96 N8 P8 Pd4 S8 -","4","1","","Davydenko, Iryna; Barlow, Stephen; Sharma, Rajesh; Benis, Sepehr; Simon, Janos; Allen, Taylor G.; Cooper, Matthew W.; Khrustalev, Victor; Jucov, Evgheni V.; Castañeda, Raúl; Ordonez, Carlos; Li, Zhong'an; Chi, San-Hui; Jang, Sei-Hum; Parker, Timothy C.; Timofeeva, Tatiana V.; Perry, Joseph W.; Jen, Alex K.-Y.; Hagan, David J.; Van Stryland, Eric W.; Marder, Seth R.","Facile Incorporation of Pd(PPh3)2Hal Substituents into Polymethines, Merocyanines, and Perylene Diimides as a Means of Suppressing Intermolecular Interactions.","Journal of the American Chemical Society","2016","138","32","10112","10115","10.1021/jacs.6b06361","","","0.71073","MoKα","","0.0477","0.0387","","","0.0918","0.0958","","","","","","1.032","","","","has coordinates,has disorder","241122","2020-10-21","18:00:00",""
"4130746","12.15","0.003","17.777","0.004","17.946","0.004","116.317","0.003","90.327","0.003","102.374","0.003","3371.2","1.4","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C71 H50 B Cl3 F24 N2 S2 -","- C71 H50 B Cl3 F24 N2 S2 -","- C142 H100 B2 Cl6 F48 N4 S4 -","2","1","","Davydenko, Iryna; Barlow, Stephen; Sharma, Rajesh; Benis, Sepehr; Simon, Janos; Allen, Taylor G.; Cooper, Matthew W.; Khrustalev, Victor; Jucov, Evgheni V.; Castañeda, Raúl; Ordonez, Carlos; Li, Zhong'an; Chi, San-Hui; Jang, Sei-Hum; Parker, Timothy C.; Timofeeva, Tatiana V.; Perry, Joseph W.; Jen, Alex K.-Y.; Hagan, David J.; Van Stryland, Eric W.; Marder, Seth R.","Facile Incorporation of Pd(PPh3)2Hal Substituents into Polymethines, Merocyanines, and Perylene Diimides as a Means of Suppressing Intermolecular Interactions.","Journal of the American Chemical Society","2016","138","32","10112","10115","10.1021/jacs.6b06361","","","0.71073","MoKα","","0.08","0.0688","","","0.1808","0.1876","","","","","","1.009","","","","has coordinates,has disorder","241122","2020-10-21","18:00:00",""
"4130747","15.027","0.003","20.486","0.004","20.641","0.004","60.504","0.003","86.726","0.003","89.857","0.003","5519.2","1.9","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C114 H94 B Cl F24 N2 P2 Pd -","- C114 H94 B Cl F24 N2 P2 Pd -","- C228 H188 B2 Cl2 F48 N4 P4 Pd2 -","2","1","","Davydenko, Iryna; Barlow, Stephen; Sharma, Rajesh; Benis, Sepehr; Simon, Janos; Allen, Taylor G.; Cooper, Matthew W.; Khrustalev, Victor; Jucov, Evgheni V.; Castañeda, Raúl; Ordonez, Carlos; Li, Zhong'an; Chi, San-Hui; Jang, Sei-Hum; Parker, Timothy C.; Timofeeva, Tatiana V.; Perry, Joseph W.; Jen, Alex K.-Y.; Hagan, David J.; Van Stryland, Eric W.; Marder, Seth R.","Facile Incorporation of Pd(PPh3)2Hal Substituents into Polymethines, Merocyanines, and Perylene Diimides as a Means of Suppressing Intermolecular Interactions.","Journal of the American Chemical Society","2016","138","32","10112","10115","10.1021/jacs.6b06361","","","0.71073","MoKα","","0.0817","0.0706","","","0.191","0.2008","","","","","","1.109","","","","has coordinates,has disorder","241122","2020-10-21","18:00:00",""
"4130748","12.19","0.006","16.932","0.008","19.639","0.009","71.035","0.008","77.323","0.009","72.711","0.008","3626","3","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C82.25 H82.25 B Cl1.75 F4 N2 P2 Pd -","- C82.25 H82.25 B Cl1.75 F4 N2 P2 Pd -","- C164.5 H164.5 B2 Cl3.5 F8 N4 P4 Pd2 -","2","1","","Davydenko, Iryna; Barlow, Stephen; Sharma, Rajesh; Benis, Sepehr; Simon, Janos; Allen, Taylor G.; Cooper, Matthew W.; Khrustalev, Victor; Jucov, Evgheni V.; Castañeda, Raúl; Ordonez, Carlos; Li, Zhong'an; Chi, San-Hui; Jang, Sei-Hum; Parker, Timothy C.; Timofeeva, Tatiana V.; Perry, Joseph W.; Jen, Alex K.-Y.; Hagan, David J.; Van Stryland, Eric W.; Marder, Seth R.","Facile Incorporation of Pd(PPh3)2Hal Substituents into Polymethines, Merocyanines, and Perylene Diimides as a Means of Suppressing Intermolecular Interactions.","Journal of the American Chemical Society","2016","138","32","10112","10115","10.1021/jacs.6b06361","","","0.71073","MoKα","","0.1983","0.1056","","","0.2099","0.2354","","","","","","1.048","","","","has coordinates,has disorder","241122","2020-10-21","18:00:00",""
"4130749","15.619","0.003","15.985","0.003","19.52","0.003","90.505","0.003","106.024","0.003","111.977","0.003","4309.3","1.3","100.15","","100.15","","","","","","","","","5","P -1","-P 1","2","","","","- C42 H42.5 Cl4 N4 O -","- C42 H42.5 Cl4 N4 O -","- C168 H170 Cl16 N16 O4 -","4","2","","Davydenko, Iryna; Barlow, Stephen; Sharma, Rajesh; Benis, Sepehr; Simon, Janos; Allen, Taylor G.; Cooper, Matthew W.; Khrustalev, Victor; Jucov, Evgheni V.; Castañeda, Raúl; Ordonez, Carlos; Li, Zhong'an; Chi, San-Hui; Jang, Sei-Hum; Parker, Timothy C.; Timofeeva, Tatiana V.; Perry, Joseph W.; Jen, Alex K.-Y.; Hagan, David J.; Van Stryland, Eric W.; Marder, Seth R.","Facile Incorporation of Pd(PPh3)2Hal Substituents into Polymethines, Merocyanines, and Perylene Diimides as a Means of Suppressing Intermolecular Interactions.","Journal of the American Chemical Society","2016","138","32","10112","10115","10.1021/jacs.6b06361","","","0.71073","MoKα","","0.1266","0.0953","","","0.2797","0.3037","","","","","","1.11","","","","has coordinates","241122","2020-10-21","18:00:00",""
"4130750","11.827","0.003","18.13","0.005","19.269","0.005","62.886","0.004","86.197","0.004","82.33","0.004","3644.7","1.7","100.15","","100.15","","","","","","","","","7","P -1","-P 1","2","","","","- C77 H71 Cl N4 O P2 Pd -","- C77 H71 Cl N4 O P2 Pd -","- C154 H142 Cl2 N8 O2 P4 Pd2 -","2","1","","Davydenko, Iryna; Barlow, Stephen; Sharma, Rajesh; Benis, Sepehr; Simon, Janos; Allen, Taylor G.; Cooper, Matthew W.; Khrustalev, Victor; Jucov, Evgheni V.; Castañeda, Raúl; Ordonez, Carlos; Li, Zhong'an; Chi, San-Hui; Jang, Sei-Hum; Parker, Timothy C.; Timofeeva, Tatiana V.; Perry, Joseph W.; Jen, Alex K.-Y.; Hagan, David J.; Van Stryland, Eric W.; Marder, Seth R.","Facile Incorporation of Pd(PPh3)2Hal Substituents into Polymethines, Merocyanines, and Perylene Diimides as a Means of Suppressing Intermolecular Interactions.","Journal of the American Chemical Society","2016","138","32","10112","10115","10.1021/jacs.6b06361","","x-ray","0.71073","MoKα","","0.0546","0.0388","","","0.0889","0.093","","","","","","1.009","","","","has coordinates","241122","2020-10-21","18:00:00",""
"4130751","17.769","0.006","19.107","0.006","20.541","0.007","70.719","0.005","82.106","0.005","89.436","0.005","6516","4","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C76.375 H71.875 Br N2 O4 P2 Pd -","- C76.375 H71.875 Br N2 O4 P2 Pd -","- C305.5 H287.5 Br4 N8 O16 P8 Pd4 -","4","2","","Davydenko, Iryna; Barlow, Stephen; Sharma, Rajesh; Benis, Sepehr; Simon, Janos; Allen, Taylor G.; Cooper, Matthew W.; Khrustalev, Victor; Jucov, Evgheni V.; Castañeda, Raúl; Ordonez, Carlos; Li, Zhong'an; Chi, San-Hui; Jang, Sei-Hum; Parker, Timothy C.; Timofeeva, Tatiana V.; Perry, Joseph W.; Jen, Alex K.-Y.; Hagan, David J.; Van Stryland, Eric W.; Marder, Seth R.","Facile Incorporation of Pd(PPh3)2Hal Substituents into Polymethines, Merocyanines, and Perylene Diimides as a Means of Suppressing Intermolecular Interactions.","Journal of the American Chemical Society","2016","138","32","10112","10115","10.1021/jacs.6b06361","","","0.71073","MoKα","","0.2377","0.1264","","","0.2228","0.247","","","","","","1.087","","","","has coordinates,has disorder","241122","2020-10-21","18:00:00",""
"4130752","11.9738","0.0016","13.7936","0.0019","15.406","0.002","77.809","0.002","85.517","0.002","71.342","0.002","2356.2","0.5","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C112 H100 Br2 N2 O4 P4 Pd2 -","- C112 H100 Br2 N2 O4 P4 Pd2 -","- C112 H100 Br2 N2 O4 P4 Pd2 -","1","0.5","","Davydenko, Iryna; Barlow, Stephen; Sharma, Rajesh; Benis, Sepehr; Simon, Janos; Allen, Taylor G.; Cooper, Matthew W.; Khrustalev, Victor; Jucov, Evgheni V.; Castañeda, Raúl; Ordonez, Carlos; Li, Zhong'an; Chi, San-Hui; Jang, Sei-Hum; Parker, Timothy C.; Timofeeva, Tatiana V.; Perry, Joseph W.; Jen, Alex K.-Y.; Hagan, David J.; Van Stryland, Eric W.; Marder, Seth R.","Facile Incorporation of Pd(PPh3)2Hal Substituents into Polymethines, Merocyanines, and Perylene Diimides as a Means of Suppressing Intermolecular Interactions.","Journal of the American Chemical Society","2016","138","32","10112","10115","10.1021/jacs.6b06361","","","0.71073","MoKα","","0.0433","0.0344","","","0.0948","0.0989","","","","","","0.997","","","","has coordinates,has disorder","241122","2020-10-21","18:00:00",""
"4130753","9.3355","0.0007","24.913","0.002","10.7218","0.0008","90","","90.679","0.001","90","","2493.5","0.3","298","2","298","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C27 H28 N2 O7 -","- C27 H28 N2 O7 -","- C108 H112 N8 O28 -","4","1","","Chen, Wenxin; Liu, Zheng; Tian, Jiaqi; Li, Jin; Ma, Jing; Cheng, Xu; Li, Guigen","Building Congested Ketone: Substituted Hantzsch Ester and Nitrile as Alkylation Reagents in Photoredox Catalysis.","Journal of the American Chemical Society","2016","138","38","12312","12315","10.1021/jacs.6b06379","","","0.71073","MoKα","","0.1185","0.0523","","","0.1332","0.155","","","","","","1.072","","","","has coordinates","241123","2020-10-21","18:00:00",""
"4130754","8.3624","0.0005","20.4468","0.0011","14.1835","0.0008","90","","94.472","0.004","90","","2417.8","0.2","110.15","","110.15","","","","","","","","","10","P 1 21/n 1","-P 2yn","14","","","","- C17 H25 B Cl2 F4 Fe N2 Ni O2 S2 -","- C17 H25 B Cl2 F4 Fe N2 Ni O2 S2 -","- C68 H100 B4 Cl8 F16 Fe4 N8 Ni4 O8 S8 -","4","1","","Ding, Shengda; Ghosh, Pokhraj; Lunsford, Allen M.; Wang, Ning; Bhuvanesh, Nattamai; Hall, Michael B.; Darensbourg, Marcetta Y.","Hemilabile Bridging Thiolates as Proton Shuttles in Bioinspired H<sub>2</sub> Production Electrocatalysts.","Journal of the American Chemical Society","2016","138","39","12920","12927","10.1021/jacs.6b06461","","","1.54178","CuKα","","0.1127","0.0747","","","0.1579","0.1771","","","","","","1.03","","","","has coordinates,has disorder","241124","2020-10-21","18:00:00",""
"4130755","23.578","0.003","30.074","0.004","12.5159","0.0017","90","","90","","90","","8875","2","150.15","","150.15","","","","","","","","","9","F d d 2","F 2 -2d","43","","","","- C15.4 H23.8 B Cl0.8 F4 Fe2 N3 O2 S2 -","- C15.4 H23.8 B Cl0.8 F4 Fe2 N3 O2 S2 -","- C246.4 H380.8 B16 Cl12.8 F64 Fe32 N48 O32 S32 -","16","1","","Ding, Shengda; Ghosh, Pokhraj; Lunsford, Allen M.; Wang, Ning; Bhuvanesh, Nattamai; Hall, Michael B.; Darensbourg, Marcetta Y.","Hemilabile Bridging Thiolates as Proton Shuttles in Bioinspired H<sub>2</sub> Production Electrocatalysts.","Journal of the American Chemical Society","2016","138","39","12920","12927","10.1021/jacs.6b06461","","","0.71073","MoKα","","0.0314","0.0292","","","0.0776","0.0793","","","","","","1.057","","","","has coordinates","241124","2020-10-21","18:00:00",""
"4130756","25.518","0.009","7.333","0.003","22.821","0.008","90","","116.382","0.004","90","","3826","2","110.15","","110.15","","","","","","","","","9","C 1 2/c 1","-C 2yc","15","","","","- C15 H23 B F4 Fe N2 Ni O S2 -","- C15 H23 B F4 Fe N2 Ni O S2 -","- C120 H184 B8 F32 Fe8 N16 Ni8 O8 S16 -","8","1","","Ding, Shengda; Ghosh, Pokhraj; Lunsford, Allen M.; Wang, Ning; Bhuvanesh, Nattamai; Hall, Michael B.; Darensbourg, Marcetta Y.","Hemilabile Bridging Thiolates as Proton Shuttles in Bioinspired H<sub>2</sub> Production Electrocatalysts.","Journal of the American Chemical Society","2016","138","39","12920","12927","10.1021/jacs.6b06461","","","0.71073","MoKα","","0.0563","0.0368","","","0.0751","0.0837","","","","","","1.033","","","","has coordinates","241124","2020-10-21","18:00:00",""
"4130757","5.8732","0.0009","9.5089","0.0014","16.609","0.003","81.082","0.008","86.233","0.007","81.513","0.008","905.5","0.3","123","","123","","","","","","","","","3","P -1","-P 1","2","","","","- C42 H46 S4 -","- C42 H46 S4 -","- C42 H46 S4 -","1","0.5","","Meng, Lingkui; Fujikawa, Takao; Kuwayama, Motonobu; Segawa, Yasutomo; Itami, Kenichiro","Thiophene-Fused π-Systems from Diarylacetylenes and Elemental Sulfur.","Journal of the American Chemical Society","2016","138","32","10351","10355","10.1021/jacs.6b06486","","","0.71075","MoKα","","0.0665","0.055","","","0.15","0.1553","","","","","","1.01","","","","has coordinates","241125","2020-10-21","18:00:00",""
"4130758","7.6703","0.0006","21.0804","0.0008","22.2882","0.0009","70.261","0.004","80.257","0.005","89.482","0.005","3338.7","0.3","123","2","123","2","","","","","","","","3","P -1","-P 1","2","","","","- C46 H44 S2 -","- C46 H44 S2 -","- C184 H176 S8 -","4","2","","Meng, Lingkui; Fujikawa, Takao; Kuwayama, Motonobu; Segawa, Yasutomo; Itami, Kenichiro","Thiophene-Fused π-Systems from Diarylacetylenes and Elemental Sulfur.","Journal of the American Chemical Society","2016","138","32","10351","10355","10.1021/jacs.6b06486","","","0.71073","MoKα","","0.168","0.0998","","","0.2443","0.3032","","","","","","1.037","","","","has coordinates","241126","2020-10-21","18:00:00",""
"4130759","18.49","0.03","6.052","0.007","19.25","0.03","90","","118.64","0.03","90","","1891","5","123","","123","","","","","","","","","3","I 1 2 1","I 2y","5","","","","- C26 H22 S -","- C26 H22 S -","- C104 H88 S4 -","4","1","","Meng, Lingkui; Fujikawa, Takao; Kuwayama, Motonobu; Segawa, Yasutomo; Itami, Kenichiro","Thiophene-Fused π-Systems from Diarylacetylenes and Elemental Sulfur.","Journal of the American Chemical Society","2016","138","32","10351","10355","10.1021/jacs.6b06486","","","0.71075","MoKα","","0.1901","0.0804","","","0.1847","0.2849","","","","","","1.057","","","","has coordinates,has disorder","241127","2020-10-21","18:00:00",""
"4130760","4.0008","0.0015","17.707","0.007","24.219","0.011","90","","90","","90","","1715.7","1.2","123","","123","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C22 H19 Br S -","- C22 H19 Br S -","- C88 H76 Br4 S4 -","4","1","","Meng, Lingkui; Fujikawa, Takao; Kuwayama, Motonobu; Segawa, Yasutomo; Itami, Kenichiro","Thiophene-Fused π-Systems from Diarylacetylenes and Elemental Sulfur.","Journal of the American Chemical Society","2016","138","32","10351","10355","10.1021/jacs.6b06486","","","0.71075","MoKα","","0.0389","0.0326","","","0.0674","0.069","","","","","","0.948","","","","has coordinates","241128","2020-10-21","18:00:00",""
"4130761","10.6685","0.001","31.183","0.003","15.5232","0.0017","90","","106.984","0.002","90","","4939","0.9","123","","123","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C66 H54 S3 -","- C66 H54 S3 -","- C264 H216 S12 -","4","1","","Meng, Lingkui; Fujikawa, Takao; Kuwayama, Motonobu; Segawa, Yasutomo; Itami, Kenichiro","Thiophene-Fused π-Systems from Diarylacetylenes and Elemental Sulfur.","Journal of the American Chemical Society","2016","138","32","10351","10355","10.1021/jacs.6b06486","","","0.71075","MoKα","","0.0818","0.0588","","","0.1478","0.1843","","","","","","1.211","","","","has coordinates,has disorder","241129","2020-10-21","18:00:00",""
"4130762","19.9874","0.0005","27.2493","0.0006","37.9721","0.0009","90","","103.491","0.002","90","","20110.6","0.8","123","2","123","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C211 H228 S10 -","- C211 H228 S10 -","- C844 H912 S40 -","4","1","","Meng, Lingkui; Fujikawa, Takao; Kuwayama, Motonobu; Segawa, Yasutomo; Itami, Kenichiro","Thiophene-Fused π-Systems from Diarylacetylenes and Elemental Sulfur.","Journal of the American Chemical Society","2016","138","32","10351","10355","10.1021/jacs.6b06486","","","0.71073","MoKα","","0.2783","0.1753","","","0.4409","0.4905","","","","","","1.552","","","","has coordinates,has disorder","241130","2020-10-21","18:00:00",""
"4130763","19.7473","0.001","5.675","0.0002","23.7866","0.0011","90","","103.491","0.005","90","","2592.1","0.2","123","2","123","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C34 H32 S2 -","- C34 H32 S2 -","- C136 H128 S8 -","4","1","","Meng, Lingkui; Fujikawa, Takao; Kuwayama, Motonobu; Segawa, Yasutomo; Itami, Kenichiro","Thiophene-Fused π-Systems from Diarylacetylenes and Elemental Sulfur.","Journal of the American Chemical Society","2016","138","32","10351","10355","10.1021/jacs.6b06486","","","0.71073","MoKα","","0.1026","0.0538","","","0.1305","0.1677","","","","","","1.035","","","","has coordinates","241131","2020-10-21","18:00:00",""
"4130764","14.669","0.0011","22.4404","0.0018","23.8287","0.0019","79.329","0.003","75.196","0.002","80.078","0.003","7387.6","1","120","2","120","","","","","","","","","8","P -1","-P 1","2","","","","- C119 H195 Cu Ge18 N P3 Pd3 Sn7 -","- C119 H195 Cu Ge18 N P3 Pd3 Sn7 -","- C238 H390 Cu2 Ge36 N2 P6 Pd6 Sn14 -","2","1","","Perla, Luis G.; Sevov, Slavi C.","A Stannyl-Decorated Zintl Ion [Ge18Pd3(Sn(i)Pr3)6](2-): Twinned Icosahedron with a Common Pd3-Face or 18-Vertex Hypho-Deltahedron with a Pd3-Triangle Inside.","Journal of the American Chemical Society","2016","138","31","9795","9798","10.1021/jacs.6b06545","","","0.71073","MoKα","","0.0632","0.0409","","","0.1027","0.1112","","","","","","1.001","","","","has coordinates,has disorder","241132","2020-10-21","18:00:00",""
"4130765","17.3152","0.0009","31.1602","0.0017","26.1732","0.0013","90","","96.851","0.002","90","","14020.8","1.3","120","2","120.01","","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C96 H212 Ge18 K2 N4 O13 Pd3 Sn6 -","- C96 H207 Ge18 K2 N4 O13 Pd3 Sn6 -","- C384 H828 Ge72 K8 N16 O52 Pd12 Sn24 -","4","1","","Perla, Luis G.; Sevov, Slavi C.","A Stannyl-Decorated Zintl Ion [Ge18Pd3(Sn(i)Pr3)6](2-): Twinned Icosahedron with a Common Pd3-Face or 18-Vertex Hypho-Deltahedron with a Pd3-Triangle Inside.","Journal of the American Chemical Society","2016","138","31","9795","9798","10.1021/jacs.6b06545","","","0.71073","MoKα","","0.0725","0.0421","","","0.0978","0.1172","","","","","","1.035","","","","has coordinates","253039","2020-10-21","18:00:00",""
"4130766","6.3424","0.0005","16.9401","0.0014","9.9234","0.0008","90","","103.876","0.0012","90","","1035.06","0.14","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C12 H16 O3 -","- C12 H16 O3 -","- C48 H64 O12 -","4","2","","Davis, Dexter C.; Walker, Katherine L.; Hu, Chunhua; Zare, Richard N.; Waymouth, Robert M.; Dai, Mingji","Catalytic Carbonylative Spirolactonization of Hydroxycyclopropanols.","Journal of the American Chemical Society","2016","138","33","10693","10699","10.1021/jacs.6b06573","","","0.71073","MoKα","","0.0358","0.0318","","","0.0773","0.0809","","","","","","1.05","","","","has coordinates","241134","2020-10-21","18:00:00",""
"4130767","8.5261","0.001","9.7486","0.0011","11.1669","0.0013","90","","107.702","0.0019","90","","884.22","0.18","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C20 H30 O3 -","- C20 H30 O3 -","- C40 H60 O6 -","2","1","","Davis, Dexter C.; Walker, Katherine L.; Hu, Chunhua; Zare, Richard N.; Waymouth, Robert M.; Dai, Mingji","Catalytic Carbonylative Spirolactonization of Hydroxycyclopropanols.","Journal of the American Chemical Society","2016","138","33","10693","10699","10.1021/jacs.6b06573","","","0.71073","MoKα","","0.0324","0.0316","","","0.0853","0.086","","","","","","1.051","","","","has coordinates","241135","2020-10-21","18:00:00",""
"4130768","17.152","0.008","5.834","0.003","13.48","0.006","90","","90","","90","","1348.9","1.1","100","2","100","2","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- C16 H20 O3 -","- C16 H20 O3 -","- C64 H80 O12 -","4","1","","Davis, Dexter C.; Walker, Katherine L.; Hu, Chunhua; Zare, Richard N.; Waymouth, Robert M.; Dai, Mingji","Catalytic Carbonylative Spirolactonization of Hydroxycyclopropanols.","Journal of the American Chemical Society","2016","138","33","10693","10699","10.1021/jacs.6b06573","","","0.71073","MoKα","","0.0889","0.0595","","","0.1343","0.1489","","","","","","1.016","","","","has coordinates","241136","2020-10-21","18:00:00",""
"4130769","8.682","0.002","10.303","0.003","15.433","0.004","90","","101.054","0.004","90","","1354.9","0.6","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C28 H48 O4 Si -","- C28 H48 O4 Si -","- C56 H96 O8 Si2 -","2","1","","Davis, Dexter C.; Walker, Katherine L.; Hu, Chunhua; Zare, Richard N.; Waymouth, Robert M.; Dai, Mingji","Catalytic Carbonylative Spirolactonization of Hydroxycyclopropanols.","Journal of the American Chemical Society","2016","138","33","10693","10699","10.1021/jacs.6b06573","","","0.71073","MoKα","","0.0664","0.0559","","","0.1423","0.1471","","","","","","1.129","","","","has coordinates","241137","2020-10-21","18:00:00",""
"4130770","5.9569","0.0003","10.5931","0.0005","15.0785","0.0007","90","","91.0247","0.0006","90","","951.33","0.08","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C10 H14 O4 -","- C10 H14 O4 -","- C40 H56 O16 -","4","1","","Davis, Dexter C.; Walker, Katherine L.; Hu, Chunhua; Zare, Richard N.; Waymouth, Robert M.; Dai, Mingji","Catalytic Carbonylative Spirolactonization of Hydroxycyclopropanols.","Journal of the American Chemical Society","2016","138","33","10693","10699","10.1021/jacs.6b06573","","","0.71073","MoKα","","0.0369","0.035","","","0.0907","0.0927","","","","","","1.07","","","","has coordinates","241138","2020-10-21","18:00:00",""
"4130771","18.1209","0.0019","6.9681","0.0007","17.8943","0.0018","90","","102.802","0.003","90","","2203.3","0.4","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C25 H27 Br O4 -","- C25 H27 Br O4 -","- C100 H108 Br4 O16 -","4","1","","Cernijenko, Artiom; Risgaard, Rune; Baran, Phil S.","11-Step Total Synthesis of (-)-Maoecrystal V.","Journal of the American Chemical Society","2016","138","30","9425","9428","10.1021/jacs.6b06623","","","0.71073","MoKα","","0.0797","0.0458","","","0.0904","0.1017","","","","","","1.094","","","","has coordinates","241139","2020-10-21","18:00:00",""
"4130772","8.6715","0.0003","10.3828","0.0004","9.4244","0.0004","90","","100.887","0.002","90","","833.25","0.06","125","","125","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C19 H28 O3 -","- C19 H28 O3 -","- C38 H56 O6 -","2","1","","Cernijenko, Artiom; Risgaard, Rune; Baran, Phil S.","11-Step Total Synthesis of (-)-Maoecrystal V.","Journal of the American Chemical Society","2016","138","30","9425","9428","10.1021/jacs.6b06623","","x-ray","1.54178","CuKα","","0.0319","0.0299","","","0.0727","0.0739","","","","","","1.068","","","","has coordinates","241140","2020-10-21","18:00:00",""
"4130773","17.606","0.0005","10.2852","0.0003","19.9102","0.0006","90","","116.176","0.001","90","","3235.61","0.17","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","RR12-250-major","","","- C19 H24 O5 -","- C19 H24 O5 -","- C152 H192 O40 -","8","2","","Cernijenko, Artiom; Risgaard, Rune; Baran, Phil S.","11-Step Total Synthesis of (-)-Maoecrystal V.","Journal of the American Chemical Society","2016","138","30","9425","9428","10.1021/jacs.6b06623","","","1.54178","CuKα","","0.0634","0.0589","","","0.1634","0.1687","","","","","","1.007","","","","has coordinates","241141","2020-10-21","18:00:00",""
"4130774","15.2396","0.0007","15.2396","0.0007","6.5378","0.0004","90","","90","","120","","1314.95","0.12","100","2","100","","","","","","","","","3","P 31","P 31","144","","","","- C19 H22 O5 -","- C19 H22 O5 -","- C57 H66 O15 -","3","1","","Cernijenko, Artiom; Risgaard, Rune; Baran, Phil S.","11-Step Total Synthesis of (-)-Maoecrystal V.","Journal of the American Chemical Society","2016","138","30","9425","9428","10.1021/jacs.6b06623","","x-ray","1.54178","CuKα","","0.0496","0.0387","","","0.0816","0.0853","","","","","","1.034","","","","has coordinates","241142","2020-10-21","18:00:00",""
"4130775","10.0283","0.0014","6.7122","0.0009","14.1747","0.0019","90","","101.993","0.006","90","","933.3","0.2","100","","100","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C19 H26 O3 Si -","- C19 H26 O3 Si -","- C38 H52 O6 Si2 -","2","1","","Cernijenko, Artiom; Risgaard, Rune; Baran, Phil S.","11-Step Total Synthesis of (-)-Maoecrystal V.","Journal of the American Chemical Society","2016","138","30","9425","9428","10.1021/jacs.6b06623","","x-ray","1.54178","CuKα","","0.0286","0.028","","","0.073","0.0746","","","","","","1.043","","","","has coordinates","241143","2020-10-21","18:00:00",""
"4130776","11.1643","0.0006","11.8846","0.0006","12.7007","0.0007","75.011","0.003","76.716","0.003","89.935","0.003","1581.23","0.15","100","2","100","2","","","","","","","","3","P -1","-P 1","2","RR12-lactone","","","- C319 H24 O3 -","- C19 H24 O3 -","- C76 H96 O12 -","4","2","","Cernijenko, Artiom; Risgaard, Rune; Baran, Phil S.","11-Step Total Synthesis of (-)-Maoecrystal V.","Journal of the American Chemical Society","2016","138","30","9425","9428","10.1021/jacs.6b06623","","","1.54178","CuKα","","0.1055","0.0887","","","0.2421","0.2606","","","","","","1.06","","","","has coordinates","241144","2020-10-21","18:00:00",""
"4130777","9.13","0.0017","7.6658","0.0014","21.832","0.005","90","","95.398","0.007","90","","1521.2","0.5","100","","100","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C18 H24 O3 -","- C18 H24 O3 -","- C72 H96 O12 -","4","1","","Cernijenko, Artiom; Risgaard, Rune; Baran, Phil S.","11-Step Total Synthesis of (-)-Maoecrystal V.","Journal of the American Chemical Society","2016","138","30","9425","9428","10.1021/jacs.6b06623","","x-ray","0.71073","MoKα","","0.0693","0.051","","","0.1171","0.1294","","","","","","1.079","","","","has coordinates","241146","2020-10-21","18:00:00",""
"4130778","13.798","0.001","7.124","0.0006","16.8297","0.0013","90","","94.256","0.005","90","","1649.7","0.2","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C19 H24 O5 -","- C19 H24 O5 -","- C76 H96 O20 -","4","1","","Cernijenko, Artiom; Risgaard, Rune; Baran, Phil S.","11-Step Total Synthesis of (-)-Maoecrystal V.","Journal of the American Chemical Society","2016","138","30","9425","9428","10.1021/jacs.6b06623","","","1.54178","CuKα","","0.0524","0.042","","","0.1074","0.1153","","","","","","1.03","","","","has coordinates","241147","2020-10-21","18:00:00",""
"4130779","10.3974","0.0008","12.7181","0.0009","13.2489","0.001","90","","112.175","0.002","90","","1622.4","0.2","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C19 H28 O3 -","- C19 H28 O3 -","- C76 H112 O12 -","4","1","","Cernijenko, Artiom; Risgaard, Rune; Baran, Phil S.","11-Step Total Synthesis of (-)-Maoecrystal V.","Journal of the American Chemical Society","2016","138","30","9425","9428","10.1021/jacs.6b06623","","","0.71073","MoKα","","0.0541","0.0377","","","0.0896","0.0973","","","","","","1.015","","","","has coordinates","241148","2020-10-21","18:00:00",""
"4130780","21.5194","0.001","10.6148","0.0004","12.7272","0.0006","90","","102.271","0.002","90","","2840.8","0.2","90","2","90","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","RR12-043","","","- C17 H22 O2 -","- C17 H22 O2 -","- C136 H176 O16 -","8","2","","Cernijenko, Artiom; Risgaard, Rune; Baran, Phil S.","11-Step Total Synthesis of (-)-Maoecrystal V.","Journal of the American Chemical Society","2016","138","30","9425","9428","10.1021/jacs.6b06623","","","0.71073","MoKα","","0.046","0.0381","","","0.1002","0.1066","","","","","","1.028","","","","has coordinates","241149","2020-10-21","18:00:00",""
"4130781","9.8414","0.001","24.468","0.003","7.9373","0.0009","90","","108.333","0.004","90","","1814.3","0.4","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","RR12-264-minor","","","- C19 H25 I O5 -","- C19 H25 I O5 -","- C76 H100 I4 O20 -","4","1","","Cernijenko, Artiom; Risgaard, Rune; Baran, Phil S.","11-Step Total Synthesis of (-)-Maoecrystal V.","Journal of the American Chemical Society","2016","138","30","9425","9428","10.1021/jacs.6b06623","","","0.71073","MoKα","","0.0444","0.0328","","","0.0678","0.0719","","","","","","1.038","","","","has coordinates","241150","2020-10-21","18:00:00",""
"4130782","10.931","0.0015","9.641","0.0013","13.213","0.002","90","","92.018","0.005","90","","1391.6","0.3","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C17 H22 O2 -","- C17 H22 O2 -","- C68 H88 O8 -","4","1","","Cernijenko, Artiom; Risgaard, Rune; Baran, Phil S.","11-Step Total Synthesis of (-)-Maoecrystal V.","Journal of the American Chemical Society","2016","138","30","9425","9428","10.1021/jacs.6b06623","","","0.71073","MoKα","","0.0803","0.0507","","","0.1045","0.1187","","","","","","1.013","","","","has coordinates","241151","2020-10-21","18:00:00",""
"4130783","14.6942","0.0018","9.3324","0.0009","11.6047","0.0014","90","","90","","90","","1591.4","0.3","100","2","100","2","","","","","","","","3","P c a 21","P 2c -2ac","29","","","","- C18 H26 O3 -","- C18 H26 O3 -","- C72 H104 O12 -","4","1","","Cernijenko, Artiom; Risgaard, Rune; Baran, Phil S.","11-Step Total Synthesis of (-)-Maoecrystal V.","Journal of the American Chemical Society","2016","138","30","9425","9428","10.1021/jacs.6b06623","","","0.71073","MoKα","","0.0592","0.0412","","","0.0854","0.0935","","","","","","1.003","","","","has coordinates","241152","2020-10-21","18:00:00",""
"4130784","22.5576","0.0004","25.9536","0.0004","26.6117","0.0004","102.011","0.001","93.562","0.001","100.843","0.001","14883.3","0.4","180","2","180","2","","","","","","","","7","P -1","-P 1","2","","","","- C254 H205 F48 Fe4 N31 O2 Sb8 -","- C254 H205 F38.508 Fe4 N31 O2 Sb6.418 -","- C508 H410 F77.016 Fe8 N62 O4 Sb12.836 -","2","1","","Ronson, Tanya K.; Pilgrim, Ben S.; Nitschke, Jonathan R.","Pathway-Dependent Post-assembly Modification of an Anthracene-Edged M(II)4L6 Tetrahedron.","Journal of the American Chemical Society","2016","138","33","10417","10420","10.1021/jacs.6b06710","","","1.54178","CuKα","","0.1244","0.0973","","","0.306","0.3355","","","","","","1.368","","","","has coordinates,has disorder","241153","2020-10-21","18:00:00",""
"4130785","21.8874","0.0008","27.4261","0.0009","30.8088","0.0009","64.666","0.002","87.269","0.002","79.937","0.002","16450.7","1","180","2","180","2","","","","","","","","6","P -1","-P 1","2","","","","- C313 H183 F48 Fe4 N26 Sb8 -","- C313 H183 F23.1 Fe4 N26 Sb3.85 -","- C626 H366 F46.2 Fe8 N52 Sb7.7 -","2","1","","Ronson, Tanya K.; Pilgrim, Ben S.; Nitschke, Jonathan R.","Pathway-Dependent Post-assembly Modification of an Anthracene-Edged M(II)4L6 Tetrahedron.","Journal of the American Chemical Society","2016","138","33","10417","10420","10.1021/jacs.6b06710","","","1.54178","CuKα","","0.1308","0.109","","","0.3123","0.3387","","","","","","1.045","","","","has coordinates,has disorder","241154","2020-10-21","18:00:00",""
"4130786","26.1142","0.0013","26.1142","0.0013","110.422","0.006","90","","90","","120","","65214","6","180","2","180","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C330 H165 Cl8 Fe4 N51 O32 -","- C329.994 H165 Cl5.7 Fe4 N51 O22.8 -","- C1979.96 H990 Cl34.2 Fe24 N306 O136.8 -","6","0.333333","","Ronson, Tanya K.; Pilgrim, Ben S.; Nitschke, Jonathan R.","Pathway-Dependent Post-assembly Modification of an Anthracene-Edged M(II)4L6 Tetrahedron.","Journal of the American Chemical Society","2016","138","33","10417","10420","10.1021/jacs.6b06710","","","1.54178","CuKα","","0.1701","0.1274","","","0.3501","0.3749","","","","","","1.227","","","","has coordinates,has disorder","241155","2020-10-21","18:00:00",""
"4130787","19.251","0.003","16.018","0.002","21.996","0.003","90","","92.636","0.002","90","","6775.6","1.6","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C71 H90 Cl2 Fe N4 O3 Si2 -","- C71 H90.001 Cl2.001 Fe N4 O3 Si2.001 -","- C284 H360.004 Cl8.004 Fe4 N16 O12 Si8.004 -","4","1","","Hickox, Hunter P.; Wang, Yuzhong; Xie, Yaoming; Wei, Pingrong; Schaefer, 3rd, Henry F; Robinson, Gregory H.","Push-Pull Stabilization of Parent Monochlorosilylenes.","Journal of the American Chemical Society","2016","138","31","9799","9802","10.1021/jacs.6b06726","","","0.71073","MoKα","","0.101","0.0701","","","0.1892","0.2162","","","","","","1.042","","","","has coordinates,has disorder","241156","2020-10-21","18:00:00",""
"4130788","41.512","0.004","41.512","0.004","41.512","0.004","90","","90","","90","","71535","12","100","2","100.2","","","","","","","","","4","P m -3 n","-P 4n 2 3","223","","","","- C1.17 H0.53 O0.24 Zr0.05 -","- C1.17343 H0.531365 O0.243542 Zr0.0479705 -","- C1272 H576 O264 Zr52 -","1084","22.5833","","Ji, Pengfei; Manna, Kuntal; Lin, Zekai; Urban, Ania; Greene, Francis X.; Lan, Guangxu; Lin, Wenbin","Single-Site Cobalt Catalysts at New Zr8(μ2-O)8(μ2-OH)4 Metal-Organic Framework Nodes for Highly Active Hydrogenation of Alkenes, Imines, Carbonyls, and Heterocycles.","Journal of the American Chemical Society","2016","138","37","12234","12242","10.1021/jacs.6b06759","","","0.41328","synchrotronradiation","","0.2586","0.1276","","","0.3136","0.3628","","","","","","1.122","","","","has coordinates","241157","2020-10-21","18:00:00",""
"4130789","41.616","0.004","41.616","0.004","41.616","0.004","90","","90","","90","","72074","12","100","2","100","2","","","","","","","","3","P m -3 n","-P 4n 2 3","223","","","","- C2.17 O0.45 Zr0.09 -","- C2.16695 O0.449744 Zr0.088586 -","- C1272 O264 Zr52 -","587","12.2292","","Ji, Pengfei; Manna, Kuntal; Lin, Zekai; Urban, Ania; Greene, Francis X.; Lan, Guangxu; Lin, Wenbin","Single-Site Cobalt Catalysts at New Zr8(μ2-O)8(μ2-OH)4 Metal-Organic Framework Nodes for Highly Active Hydrogenation of Alkenes, Imines, Carbonyls, and Heterocycles.","Journal of the American Chemical Society","2016","138","37","12234","12242","10.1021/jacs.6b06759","","","0.41328","synchrotronradiation","","0.1392","0.131","","","0.3539","0.3599","","","","","","1.159","","","","has coordinates","241158","2020-10-21","18:00:00",""
"4130790","41.516","0.002","41.516","0.002","41.516","0.002","90","","90","","90","","71556","6","100","2","99.95","","","","","","","","","3","P m -3 n","-P 4n 2 3","223","","","","- C1.25 Hf0.05 O0.26 -","- C1.25197 Hf0.0511811 O0.259843 -","- C1272 Hf52 O264 -","1016","21.1667","","Ji, Pengfei; Manna, Kuntal; Lin, Zekai; Urban, Ania; Greene, Francis X.; Lan, Guangxu; Lin, Wenbin","Single-Site Cobalt Catalysts at New Zr8(μ2-O)8(μ2-OH)4 Metal-Organic Framework Nodes for Highly Active Hydrogenation of Alkenes, Imines, Carbonyls, and Heterocycles.","Journal of the American Chemical Society","2016","138","37","12234","12242","10.1021/jacs.6b06759","","","0.41328","synchrotronradiation","","0.154","0.1145","","","0.2758","0.3046","","","","","","1.244","","","","has coordinates","241159","2020-10-21","18:00:00",""
"4130791","12.2629","0.0006","7.4837","0.0003","15.1106","0.0007","90","","106.601","0.005","90","","1328.93","0.11","150","","150","0.1","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","ammonium strontium hexacyanoferrate(II) dihydrate","","- C6 H12 Fe N8 O2 Sr -","- C6 H12 Fe N8 O2 Sr -","- C24 H48 Fe4 N32 O8 Sr4 -","4","0.5","","Duyker, Samuel G.; Hill, Joshua A.; Howard, Christopher J.; Goodwin, Andrew L.","Guest-Activated Forbidden Tilts in a Molecular Perovskite Analogue.","Journal of the American Chemical Society","2016","138","35","11121","11123","10.1021/jacs.6b06785","","x-ray","1.54184","CuKα","","0.0228","0.0207","","0.0592","0.0576","0.0592","","","","","","1.0021","","","","has coordinates","241160","2020-10-21","18:00:00",""
"4130792","7.4087","0.0004","7.5926","0.0004","10.7605","0.0006","90","","90.336","0.005","90","","605.28","0.06","300","","300.01","0.11","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","ammonium strontium hexacyanoferrate(II)","","- C6 H8 Fe N8 Sr -","- C6 H8 Fe N8 Sr -","- C12 H16 Fe2 N16 Sr2 -","2","0.5","","Duyker, Samuel G.; Hill, Joshua A.; Howard, Christopher J.; Goodwin, Andrew L.","Guest-Activated Forbidden Tilts in a Molecular Perovskite Analogue.","Journal of the American Chemical Society","2016","138","35","11121","11123","10.1021/jacs.6b06785","","x-ray","1.54184","CuKα","","0.0575","0.0374","","0.1154","0.0989","0.1154","","","","","","1.0151","","","","has coordinates","241160","2020-10-21","18:00:00",""
"4130793","14.251","0.0007","13.1814","0.0005","9.2333","0.0004","90","","98.28","0.003","90","","1716.38","0.13","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C18 H26 N4 Ni -","- C18 H26 N4 Ni -","- C72 H104 N16 Ni4 -","4","0.5","","Schultz, Jason W.; Fuchigami, Kei; Zheng, Bo; Rath, Nigam P.; Mirica, Liviu M.","Isolated Organometallic Nickel(III) and Nickel(IV) Complexes Relevant to Carbon-Carbon Bond Formation Reactions.","Journal of the American Chemical Society","2016","138","39","12928","12934","10.1021/jacs.6b06862","","","0.71073","MoKα","","0.0358","0.0263","","","0.0544","0.0591","","","","","","1.016","","","","has coordinates,has disorder","241161","2020-10-21","18:00:00",""
"4130794","8.96","0.0007","14.2611","0.001","16.7826","0.0012","88.779","0.004","75.985","0.004","73.867","0.004","1996.3","0.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C46 H54 B N4 Ni O -","- C46 H54 B N4 Ni O -","- C92 H108 B2 N8 Ni2 O2 -","2","1","","Schultz, Jason W.; Fuchigami, Kei; Zheng, Bo; Rath, Nigam P.; Mirica, Liviu M.","Isolated Organometallic Nickel(III) and Nickel(IV) Complexes Relevant to Carbon-Carbon Bond Formation Reactions.","Journal of the American Chemical Society","2016","138","39","12928","12934","10.1021/jacs.6b06862","","","0.71073","MoKα","","0.0518","0.0389","","","0.0904","0.0966","","","","","","1.031","","","","has coordinates,has disorder","241161","2020-10-21","18:00:00",""
"4130795","11.5021","0.0009","17.8327","0.0013","12.9451","0.0011","90","","90.026","0.005","90","","2655.2","0.4","100","2","100","2","","","","","","","","5","P 1 n 1","P -2yac","7","","","","- C30 H40 N4 Ni O -","- C30 H40 N4 Ni O -","- C120 H160 N16 Ni4 O4 -","4","2","","Schultz, Jason W.; Fuchigami, Kei; Zheng, Bo; Rath, Nigam P.; Mirica, Liviu M.","Isolated Organometallic Nickel(III) and Nickel(IV) Complexes Relevant to Carbon-Carbon Bond Formation Reactions.","Journal of the American Chemical Society","2016","138","39","12928","12934","10.1021/jacs.6b06862","","","0.71073","MoKα","","0.0587","0.0508","","","0.1253","0.1316","","","","","","1.041","","","","has coordinates","241161","2020-10-21","18:00:00",""
"4130796","18.0244","0.0006","12.6029","0.0004","23.9084","0.0008","90","","98.41","0.0016","90","","5372.6","0.3","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C62 H76 B N4 Ni O3 -","- C62 H76 B N4 Ni O3 -","- C248 H304 B4 N16 Ni4 O12 -","4","1","","Schultz, Jason W.; Fuchigami, Kei; Zheng, Bo; Rath, Nigam P.; Mirica, Liviu M.","Isolated Organometallic Nickel(III) and Nickel(IV) Complexes Relevant to Carbon-Carbon Bond Formation Reactions.","Journal of the American Chemical Society","2016","138","39","12928","12934","10.1021/jacs.6b06862","","","0.71073","MoKα","","0.097","0.0613","","","0.1446","0.166","","","","","","1.031","","","","has coordinates,has disorder","241161","2020-10-21","18:00:00",""
"4130797","9.2668","0.0005","16.5937","0.001","18.2485","0.0011","90","","92.739","0.003","90","","2802.9","0.3","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C20 H26 F12 N6 Ni P2 -","- C20 H26 F12 N6 Ni P2 -","- C80 H104 F48 N24 Ni4 P8 -","4","1","","Schultz, Jason W.; Fuchigami, Kei; Zheng, Bo; Rath, Nigam P.; Mirica, Liviu M.","Isolated Organometallic Nickel(III) and Nickel(IV) Complexes Relevant to Carbon-Carbon Bond Formation Reactions.","Journal of the American Chemical Society","2016","138","39","12928","12934","10.1021/jacs.6b06862","","","0.71073","MoKα","","0.0919","0.0663","","","0.1834","0.2007","","","","","","1.03","","","","has coordinates","241161","2020-10-21","18:00:00",""
"4130798","5.945","0.0008","7.244","0.0011","40.577","0.007","90","","91.345","0.014","90","","1747","0.5","93","","93","","","","","","","","","2","P 1 c 1","P -2yc","7","","","","- C30 H20 -","- C30 H20 -","- C120 H80 -","4","2","","Yamaguchi, Yuji; Takubo, Maki; Ogawa, Keisuke; Nakayama, Ken-Ichi; Koganezawa, Tomoyuki; Katagiri, Hiroshi","Terazulene Isomers: Polarity Change of OFETs through Molecular Orbital Distribution Contrast.","Journal of the American Chemical Society","2016","138","35","11335","11343","10.1021/jacs.6b06877","","","0.71073","MoKα","","0.129","0.0678","","","0.1212","0.1421","","","","","","0.985","","","","has coordinates","241162","2020-10-21","18:00:00",""
"4130799","6.0461","0.0003","7.3963","0.0004","20.9073","0.0011","81.327","0.005","89.655","0.004","88.536","0.004","923.95","0.08","93","","93","","","","","","","","","2","P 1","P 1","1","","","","- C30 H20 -","- C30 H20 -","- C60 H40 -","2","2","","Yamaguchi, Yuji; Takubo, Maki; Ogawa, Keisuke; Nakayama, Ken-Ichi; Koganezawa, Tomoyuki; Katagiri, Hiroshi","Terazulene Isomers: Polarity Change of OFETs through Molecular Orbital Distribution Contrast.","Journal of the American Chemical Society","2016","138","35","11335","11343","10.1021/jacs.6b06877","","","0.71073","MoKα","","0.1131","0.0609","","","0.1277","0.152","","","","","","1.004","","","","has coordinates","241163","2020-10-21","18:00:00",""
"4130800","5.917","0.004","7.782","0.004","20.718","0.012","81.545","0.015","87.448","0.016","89.023","0.018","942.6","1","93","","93","","","","","","","","","2","P -1","-P 1","2","","","","- C30 H20 -","- C30 H20 -","- C60 H40 -","2","1","","Yamaguchi, Yuji; Takubo, Maki; Ogawa, Keisuke; Nakayama, Ken-Ichi; Koganezawa, Tomoyuki; Katagiri, Hiroshi","Terazulene Isomers: Polarity Change of OFETs through Molecular Orbital Distribution Contrast.","Journal of the American Chemical Society","2016","138","35","11335","11343","10.1021/jacs.6b06877","","","0.71073","MoKα","","0.1002","0.0614","","","0.1437","0.1664","","","","","","1.041","","","","has coordinates,has disorder","241165","2020-10-21","18:00:00",""
"4130801","6.1119","0.0003","10.41","0.0011","13.6296","0.0015","76.812","0.009","81.978","0.007","82.825","0.007","832.15","0.14","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C18 H18 O3 S -","- C18 H18 O3 S -","- C36 H36 O6 S2 -","2","1","","Li, Yuanyuan; Qiu, Dachuan; Gu, Rongrong; Wang, Junli; Shi, Jiarong; Li, Yang","Aryne 1,2,3-Trifunctionalization with Aryl Allyl Sulfoxides.","Journal of the American Chemical Society","2016","138","34","10814","10817","10.1021/jacs.6b06981","","","0.71073","MoKα","","0.0817","0.0554","","","0.1335","0.1576","","","","","","1.048","","","","has coordinates","241166","2020-10-21","18:00:00",""
"4130802","8.5059","0.0003","10.5556","0.0003","11.4816","0.0004","90","","93.9911","0.0016","90","","1028.37","0.06","193","2","193","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C19 H27 Au I P -","- C19 H27 Au I P -","- C38 H54 Au2 I2 P2 -","2","1","","Rekhroukh, Feriel; Estevez, Laura; Mallet-Ladeira, Sonia; Miqueu, Karinne; Amgoune, Abderrahmane; Bourissou, Didier","β-Hydride Elimination at Low-Coordinate Gold(III) Centers.","Journal of the American Chemical Society","2016","138","36","11920","11929","10.1021/jacs.6b07035","","","0.71073","MoKα","","0.052","0.0436","","","0.109","0.1165","","","","","","1.092","","","","has coordinates","241167","2020-10-21","18:00:00",""
"4130803","8.2625","0.0005","13.7282","0.0008","32.2865","0.0019","90","","90","","90","","3662.2","0.4","193","2","193","2","","","","","","","synthesis as described","5","P b c a","-P 2ac 2ab","61","","","","- C17 H23 Au I P -","- C17 H23 Au I P -","- C136 H184 Au8 I8 P8 -","8","1","","Rekhroukh, Feriel; Estevez, Laura; Mallet-Ladeira, Sonia; Miqueu, Karinne; Amgoune, Abderrahmane; Bourissou, Didier","β-Hydride Elimination at Low-Coordinate Gold(III) Centers.","Journal of the American Chemical Society","2016","138","36","11920","11929","10.1021/jacs.6b07035","","x-ray","0.71073","MoKα","","0.0519","0.0477","","","0.2184","0.2209","","","","","","1.901","","","","has coordinates","241168","2020-10-21","18:00:00",""
"4130804","17.6684","0.0006","50.2977","0.0016","7.4226","0.0003","90","","90","","90","","6596.3","0.4","100","","100","","","","","","","","","4","F d d 2","F 2 -2d","43","","","","- C19 H22 N2 O -","- C19 H22 N2 O -","- C304 H352 N32 O16 -","16","1","","McCreanor, Niall G.; Stanton, Steven; Bower, John F.","Capture-Collapse Heterocyclization: 1,3-Diazepanes by C-N Reductive Elimination from Rhodacyclopentanones.","Journal of the American Chemical Society","2016","138","36","11465","11468","10.1021/jacs.6b07046","","","0.71073","MoKα","","0.0473","0.0402","","","0.092","0.0962","","","","","","1.046","","","","has coordinates,has disorder","241169","2020-10-21","18:00:00",""
"4130805","9.614","0.002","10.268","0.002","10.553","0.002","67.181","0.004","83.169","0.004","84.093","0.004","951.6","0.3","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C22 H24 N2 O4 -","- C22 H24 N2 O4 -","- C44 H48 N4 O8 -","2","1","","McCreanor, Niall G.; Stanton, Steven; Bower, John F.","Capture-Collapse Heterocyclization: 1,3-Diazepanes by C-N Reductive Elimination from Rhodacyclopentanones.","Journal of the American Chemical Society","2016","138","36","11465","11468","10.1021/jacs.6b07046","","","1.54178","CuKα","","0.0524","0.0521","","","0.1565","0.157","","","","","","1.116","","","","has coordinates","241170","2020-10-21","18:00:00",""
"4130806","16.4142","0.0005","10.5216","0.0003","19.1349","0.0006","90","","101.713","0.0016","90","","3235.85","0.17","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C18 H18 N2 O2 S -","- C18 H18 N2 O2 S -","- C144 H144 N16 O16 S8 -","8","1","","McCreanor, Niall G.; Stanton, Steven; Bower, John F.","Capture-Collapse Heterocyclization: 1,3-Diazepanes by C-N Reductive Elimination from Rhodacyclopentanones.","Journal of the American Chemical Society","2016","138","36","11465","11468","10.1021/jacs.6b07046","","","0.71073","MoKα","","0.0403","0.0337","","","0.0843","0.0881","","","","","","1.035","","","","has coordinates","241171","2020-10-21","18:00:00",""
"4130807","12.2774","0.0005","18.0919","0.0007","16.3936","0.0007","90","","94.5253","0.0017","90","","3630","0.3","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","C41 H42 Cl Co N4 P","","- C41 H42.18 Cl1.12 Co N4 P -","- C41 H42.18 Cl1.123 Co N4 P -","- C164 H168.72 Cl4.492 Co4 N16 P4 -","4","1","","Tokmic, Kenan; Markus, Charles R.; Zhu, Lingyang; Fout, Alison R.","Well-Defined Cobalt(I) Dihydrogen Catalyst: Experimental Evidence for a Co(I)/Co(III) Redox Process in Olefin Hydrogenation.","Journal of the American Chemical Society","2016","138","36","11907","11913","10.1021/jacs.6b07066","","","0.71073","MoKα","","0.072","0.0443","","","0.0915","0.1006","","","","","","1.016","","","","has coordinates,has disorder","241172","2020-10-21","18:00:00",""
"4130808","7.8946","0.0003","16.5851","0.0005","27.3473","0.001","90","","94.4478","0.0012","90","","3569.9","0.2","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C41 H42 Co N6 P -","- C41 H42 Co N6 P -","- C164 H168 Co4 N24 P4 -","4","1","","Tokmic, Kenan; Markus, Charles R.; Zhu, Lingyang; Fout, Alison R.","Well-Defined Cobalt(I) Dihydrogen Catalyst: Experimental Evidence for a Co(I)/Co(III) Redox Process in Olefin Hydrogenation.","Journal of the American Chemical Society","2016","138","36","11907","11913","10.1021/jacs.6b07066","","","0.71073","MoKα","","0.0503","0.0386","","","0.087","0.0919","","","","","","1.098","","","","has coordinates","241172","2020-10-21","18:00:00",""
"4130809","6.782","0.0008","16.6525","0.0019","12.2196","0.0014","90","","100.039","0.004","90","","1358.9","0.3","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C6 H19 B10 N O -","- C6 H19 B10 N O -","- C24 H76 B40 N4 O4 -","4","1","","Lyu, Hairong; Quan, Yangjian; Xie, Zuowei","Transition Metal Catalyzed Direct Amination of the Cage B(4)-H Bond in o-Carboranes: Synthesis of Tertiary, Secondary, and Primary o-Carboranyl Amines.","Journal of the American Chemical Society","2016","138","39","12727","12730","10.1021/jacs.6b07086","","","0.71073","MoKα","","0.1706","0.094","","","0.1897","0.223","","","","","","1.071","","","","has coordinates","241173","2020-10-21","18:00:00",""
"4130810","29.8616","0.0006","6.6361","0.0001","20.4917","0.0004","90","","99.0968","0.0017","90","","4009.66","0.13","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C12 H30 B10 N2 O2 -","- C12 H30 B10 N2 O2 -","- C96 H240 B80 N16 O16 -","8","1","","Lyu, Hairong; Quan, Yangjian; Xie, Zuowei","Transition Metal Catalyzed Direct Amination of the Cage B(4)-H Bond in o-Carboranes: Synthesis of Tertiary, Secondary, and Primary o-Carboranyl Amines.","Journal of the American Chemical Society","2016","138","39","12727","12730","10.1021/jacs.6b07086","","","0.71073","MoKα","","0.0669","0.0524","","","0.1481","0.1587","","","","","","1.054","","","","has coordinates","241173","2020-10-21","18:00:00",""
"4130811","8.0349","0.0017","18.023","0.004","12.072","0.003","90","","96.799","0.008","90","","1735.9","0.7","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C10 H25 B10 N O2 -","- C10 H24 B10 N O2 -","- C40 H96 B40 N4 O8 -","4","1","","Lyu, Hairong; Quan, Yangjian; Xie, Zuowei","Transition Metal Catalyzed Direct Amination of the Cage B(4)-H Bond in o-Carboranes: Synthesis of Tertiary, Secondary, and Primary o-Carboranyl Amines.","Journal of the American Chemical Society","2016","138","39","12727","12730","10.1021/jacs.6b07086","","","0.71073","MoKα","","0.1492","0.0935","","","0.2646","0.3276","","","","","","1.033","","","","has coordinates","241173","2020-10-21","18:00:00",""
"4130812","24.2592","0.0012","7.3926","0.0003","19.8972","0.001","90","","98.5493","0.0016","90","","3528.7","0.3","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C10 H21 B10 N O2 S -","- C10 H21 B10 N O2 S -","- C80 H168 B80 N8 O16 S8 -","8","1","","Lyu, Hairong; Quan, Yangjian; Xie, Zuowei","Transition Metal Catalyzed Direct Amination of the Cage B(4)-H Bond in o-Carboranes: Synthesis of Tertiary, Secondary, and Primary o-Carboranyl Amines.","Journal of the American Chemical Society","2016","138","39","12727","12730","10.1021/jacs.6b07086","","","0.71073","MoKα","","0.066","0.0539","","","0.1435","0.1544","","","","","","1.031","","","","has coordinates","241173","2020-10-21","18:00:00",""
"4130813","25.0743","0.0011","7.4905","0.0003","19.9945","0.0009","90","","101.104","0.0013","90","","3685","0.3","300","2","300","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C10 H21 B10 N O3 S -","- C10 H21 B10 N O3 S -","- C80 H168 B80 N8 O24 S8 -","8","1","","Lyu, Hairong; Quan, Yangjian; Xie, Zuowei","Transition Metal Catalyzed Direct Amination of the Cage B(4)-H Bond in o-Carboranes: Synthesis of Tertiary, Secondary, and Primary o-Carboranyl Amines.","Journal of the American Chemical Society","2016","138","39","12727","12730","10.1021/jacs.6b07086","","","0.71073","MoKα","","0.1048","0.0922","","","0.2578","0.2747","","","","","","1.058","","","","has coordinates","241173","2020-10-21","18:00:00",""
"4130814","14.713","0.0016","11.1639","0.0012","16.1379","0.0019","90","","103.704","0.002","90","","2575.3","0.5","296.15","","296.15","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C60 H48 Cl4 O8 -","- C60 H48 Cl4 O8 -","- C120 H96 Cl8 O16 -","2","1","","Xiong, Jia-Bin; Feng, Hai-Tao; Sun, Jian-Ping; Xie, Wen-Zhao; Yang, Dong; Liu, Minghua; Zheng, Yan-Song","The Fixed Propeller-Like Conformation of Tetraphenylethylene that Reveals Aggregation-Induced Emission Effect, Chiral Recognition, and Enhanced Chiroptical Property.","Journal of the American Chemical Society","2016","138","36","11469","11472","10.1021/jacs.6b07087","","","0.71073","MoKα","","0.0702","0.0519","","","0.1105","0.1199","","","","","","1.028","","","","has coordinates","241174","2020-10-21","18:00:00",""
"4130815","14.7006","0.0013","11.1469","0.0009","16.1292","0.0014","90","","103.773","0.002","90","","2567","0.4","113","","113","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C60 H48 Cl4 O8 -","- C60 H48 Cl4 O8 -","- C120 H96 Cl8 O16 -","2","1","","Xiong, Jia-Bin; Feng, Hai-Tao; Sun, Jian-Ping; Xie, Wen-Zhao; Yang, Dong; Liu, Minghua; Zheng, Yan-Song","The Fixed Propeller-Like Conformation of Tetraphenylethylene that Reveals Aggregation-Induced Emission Effect, Chiral Recognition, and Enhanced Chiroptical Property.","Journal of the American Chemical Society","2016","138","36","11469","11472","10.1021/jacs.6b07087","","","0.71073","MoKα","","0.0277","0.0265","","","0.0714","0.072","","","","","","1.055","","","","has coordinates,has disorder","241175","2020-10-21","18:00:00",""
"4130816","29.664","0.006","11.951","0.002","26.712","0.005","90","","105.51","0.03","90","","9125","3","113.15","","113.15","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C47 H34 Cl2 O8 -","- C47 H34 Cl2 O8 -","- C376 H272 Cl16 O64 -","8","1","","Xiong, Jia-Bin; Feng, Hai-Tao; Sun, Jian-Ping; Xie, Wen-Zhao; Yang, Dong; Liu, Minghua; Zheng, Yan-Song","The Fixed Propeller-Like Conformation of Tetraphenylethylene that Reveals Aggregation-Induced Emission Effect, Chiral Recognition, and Enhanced Chiroptical Property.","Journal of the American Chemical Society","2016","138","36","11469","11472","10.1021/jacs.6b07087","","","0.71073","MoKα","","0.0618","0.0519","","","0.1594","0.1672","","","","","","1.107","","","","has coordinates","241176","2020-10-21","18:00:00",""
"4130817","43.667","0.003","14.9611","0.0006","31.555","0.002","90","","133.563","0.012","90","","14938","3","113","","113","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C60 H48 Cl4 O8 -","- C60 H48 Cl4 O8 -","- C720 H576 Cl48 O96 -","12","1.5","","Xiong, Jia-Bin; Feng, Hai-Tao; Sun, Jian-Ping; Xie, Wen-Zhao; Yang, Dong; Liu, Minghua; Zheng, Yan-Song","The Fixed Propeller-Like Conformation of Tetraphenylethylene that Reveals Aggregation-Induced Emission Effect, Chiral Recognition, and Enhanced Chiroptical Property.","Journal of the American Chemical Society","2016","138","36","11469","11472","10.1021/jacs.6b07087","","","0.71073","MoKα","","0.0577","0.0452","","","0.1113","0.1197","","","","","","1.02","","","","has coordinates,has disorder","241177","2020-10-21","18:00:00",""
"4130818","9.4658","0.0004","11.3757","0.0004","19.3517","0.0007","90","","90","","90","","2083.79","0.14","100.15","","100.15","","","","","","","","","6","P 21 n b","P -2bc 2a","33","","C22H23ClNO2S2","","- C22 H23 Cl N O2 S2 -","- C22 H23 Cl N O2 S2 -","- C88 H92 Cl4 N4 O8 S8 -","4","1","","Kennemur, Jennifer L.; Kortman, Gregory D.; Hull, Kami L.","Rhodium-Catalyzed Regiodivergent Hydrothiolation of Allyl Amines and Imines.","Journal of the American Chemical Society","2016","138","36","11914","11919","10.1021/jacs.6b07142","","x-ray","0.71073","MoKα","","0.0588","0.0463","","","0.1159","0.121","","","","","","1.017","","","","has coordinates","241178","2020-10-21","18:00:00",""
"4130819","10.587","0.005","5.476","0.003","15.006","0.008","90","","98.981","0.007","90","","859.3","0.8","123","","123","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C17 H17 Br N4 O2 -","- C17 H16 Br N4 O2 -","- C34 H32 Br2 N8 O4 -","2","1","","Momiyama, Norie; Tabuse, Hideaki; Noda, Hirofumi; Yamanaka, Masahiro; Fujinami, Takeshi; Yamanishi, Katsunori; Izumiseki, Atsuto; Funayama, Kosuke; Egawa, Fuyuki; Okada, Shino; Adachi, Hiroaki; Terada, Masahiro","Molecular Design of a Chiral Brønsted Acid with Two Different Acidic Sites: Regio-, Diastereo-, and Enantioselective Hetero-Diels-Alder Reaction of Azopyridinecarboxylate with Amidodienes Catalyzed by Chiral Carboxylic Acid-Monophosphoric Acid.","Journal of the American Chemical Society","2016","138","35","11353","11359","10.1021/jacs.6b07150","","","0.71075","MoKα","","0.0318","0.0265","","","0.0448","0.0459","","","","","","1.118","","","","has coordinates","241179","2020-10-21","18:00:00",""
"4130820","6.7967","0.0014","15.8","0.004","23.896","0.005","90","","90","","90","","2566.1","1","123","","123","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C26 H22 Br F3 N4 O4 -","- C26 H22 Br F3 N4 O4 -","- C104 H88 Br4 F12 N16 O16 -","4","1","","Momiyama, Norie; Tabuse, Hideaki; Noda, Hirofumi; Yamanaka, Masahiro; Fujinami, Takeshi; Yamanishi, Katsunori; Izumiseki, Atsuto; Funayama, Kosuke; Egawa, Fuyuki; Okada, Shino; Adachi, Hiroaki; Terada, Masahiro","Molecular Design of a Chiral Brønsted Acid with Two Different Acidic Sites: Regio-, Diastereo-, and Enantioselective Hetero-Diels-Alder Reaction of Azopyridinecarboxylate with Amidodienes Catalyzed by Chiral Carboxylic Acid-Monophosphoric Acid.","Journal of the American Chemical Society","2016","138","35","11353","11359","10.1021/jacs.6b07150","","","0.71075","MoKα","","0.1145","0.0929","","","0.147","0.1556","","","","","","1.21","","","","has coordinates","241180","2020-10-21","18:00:00",""
"4130821","9.777","0.0018","14.488","0.003","38.079","0.007","90","","90","","90","","5393.9","1.8","123","","123","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C65 H63 O8 P Si -","- C65 H63 O8 P Si -","- C260 H252 O32 P4 Si4 -","4","1","","Momiyama, Norie; Tabuse, Hideaki; Noda, Hirofumi; Yamanaka, Masahiro; Fujinami, Takeshi; Yamanishi, Katsunori; Izumiseki, Atsuto; Funayama, Kosuke; Egawa, Fuyuki; Okada, Shino; Adachi, Hiroaki; Terada, Masahiro","Molecular Design of a Chiral Brønsted Acid with Two Different Acidic Sites: Regio-, Diastereo-, and Enantioselective Hetero-Diels-Alder Reaction of Azopyridinecarboxylate with Amidodienes Catalyzed by Chiral Carboxylic Acid-Monophosphoric Acid.","Journal of the American Chemical Society","2016","138","35","11353","11359","10.1021/jacs.6b07150","","","0.71075","MoKα","","0.0734","0.0584","","","0.1092","0.1171","","","","","","1.007","","","","has coordinates,has disorder","241181","2020-10-21","18:00:00",""
"4130822","19.097","0.001","24.0131","0.0013","29.8101","0.0015","88.62","0.002","89.464","0.002","71.411","0.002","12953.3","1.2","150","","150","","","","","","","","","4","P -1","-P 1","2","","","","- C208 H234 Au44 S26 -","- C205 H215 Au44 S26 -","- C410 H430 Au88 S52 -","2","1","","Liao, Lingwen; Zhuang, Shengli; Yao, Chuanhao; Yan, Nan; Chen, Jishi; Wang, Chengming; Xia, Nan; Liu, Xu; Li, Man-Bo; Li, Lingling; Bao, Xiaoli; Wu, Zhikun","Structure of Chiral Au44(2,4-DMBT)26 Nanocluster with an 18-Electron Shell Closure.","Journal of the American Chemical Society","2016","138","33","10425","10428","10.1021/jacs.6b07178","","","1.54178","CuKα","","0.1666","0.1398","","","0.365","0.4009","","","","","","1.644","","","","has coordinates","241182","2020-10-21","18:00:00",""
"4130823","14.135","0.006","12.502","0.006","9.632","0.004","90","","100.507","0.006","90","","1673.6","1.3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H18 F7 N O2 -","- C14 H18 F7 N O2 -","- C56 H72 F28 N4 O8 -","4","1","","Lu, Deng-Fu; Zhu, Cheng-Liang; Sears, Jeffrey D.; Xu, Hao","Iron(II)-Catalyzed Intermolecular Aminofluorination of Unfunctionalized Olefins Using Fluoride Ion.","Journal of the American Chemical Society","2016","138","35","11360","11367","10.1021/jacs.6b07221","","","0.71073","MoKα","","0.0994","0.0614","","","0.1476","0.1748","","","","","","1.046","","","","has coordinates","241183","2020-10-21","18:00:00",""
"4130824","13.3576","0.0015","13.3576","0.0015","16.362","0.002","90","","90","","90","","2919.4","0.6","173","2","173","2","","","","","","","","5","P 43 21 2","P 4nw 2abw","96","","","","- C13 H10 F7 N O2 -","- C12.9999 H10 F6.9997 N O2 -","- C103.999 H80 F55.9976 N8 O16 -","8","1","","Lu, Deng-Fu; Zhu, Cheng-Liang; Sears, Jeffrey D.; Xu, Hao","Iron(II)-Catalyzed Intermolecular Aminofluorination of Unfunctionalized Olefins Using Fluoride Ion.","Journal of the American Chemical Society","2016","138","35","11360","11367","10.1021/jacs.6b07221","","","1.54178","CuKα","","0.0333","0.0326","","","0.0882","0.0889","","","","","","1.022","","","","has coordinates,has disorder","241184","2020-10-21","18:00:00",""
"4130825","16.8624","0.0011","18.8653","0.0013","22.9188","0.0016","90","","90","","90","","7290.8","0.9","110","2","110","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C32 H41 B2 F8 Fe N7 O4 -","- C32 H41 B2 F8 Fe N7 O4 -","- C256 H328 B16 F64 Fe8 N56 O32 -","8","1","","Lu, Deng-Fu; Zhu, Cheng-Liang; Sears, Jeffrey D.; Xu, Hao","Iron(II)-Catalyzed Intermolecular Aminofluorination of Unfunctionalized Olefins Using Fluoride Ion.","Journal of the American Chemical Society","2016","138","35","11360","11367","10.1021/jacs.6b07221","","","0.71073","MoKα","","0.0535","0.0436","","","0.1174","0.1261","","","","","","1.02","","","","has coordinates","241185","2020-10-21","18:00:00",""
"4130826","8.4516","0.0009","13.5668","0.0015","11.368","0.0013","90","","97.205","0.0017","90","","1293.2","0.2","110","2","110","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C17 H26 B2 F8 Fe N4 O4 -","- C17 H26 B2 F8 Fe N4 O4 -","- C34 H52 B4 F16 Fe2 N8 O8 -","2","1","","Lu, Deng-Fu; Zhu, Cheng-Liang; Sears, Jeffrey D.; Xu, Hao","Iron(II)-Catalyzed Intermolecular Aminofluorination of Unfunctionalized Olefins Using Fluoride Ion.","Journal of the American Chemical Society","2016","138","35","11360","11367","10.1021/jacs.6b07221","","","0.71073","MoKα","","0.0463","0.0447","","","0.1195","0.1214","","","","","","1.043","","","","has coordinates,has disorder","241186","2020-10-21","18:00:00",""
"4130827","18.608","0.004","10.59","0.002","20.591","0.005","90","","98.67","0.003","90","","4011.3","1.5","173.15","","173.15","","","","","","","","","7","C 1 2 1","C 2y","5","","","","- C36 H28 B2 F20 N2 O3 S2 -","- C36 H28 B2 F20 N2 O3 S2 -","- C144 H112 B8 F80 N8 O12 S8 -","4","1","","Li, Songlei; Li, Gen; Meng, Wei; Du, Haifeng","A Frustrated Lewis Pair Catalyzed Asymmetric Transfer Hydrogenation of Imines Using Ammonia Borane.","Journal of the American Chemical Society","2016","138","39","12956","12962","10.1021/jacs.6b07245","","","0.71073","MoKα","","0.0436","0.0415","","","0.0991","0.1008","","","","","","1.069","","","","has coordinates,has disorder","241187","2020-10-21","18:00:00",""
"4130828","14.4739","0.0006","16.2599","0.0007","14.1217","0.0006","90","","110.575","0.002","90","","3111.5","0.2","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","JL-III-050B","sarpong84","","- C31 H38 N2 O11 S -","- C31 H38 N2 O11 S -","- C124 H152 N8 O44 S4 -","4","1","","Kou, Kevin G. M.; Li, Beryl X.; Lee, Jack C.; Gallego, Gary M.; Lebold, Terry P.; DiPasquale, Antonio G.; Sarpong, Richmond","Syntheses of Denudatine Diterpenoid Alkaloids: Cochlearenine, N-Ethyl-1α-hydroxy-17-veratroyldictyzine, and Paniculamine.","Journal of the American Chemical Society","2016","138","34","10830","10833","10.1021/jacs.6b07268","","","1.54178","CuKα","","0.0496","0.0427","","","0.1121","0.1179","","","","","","1.009","","","","has coordinates,has disorder","241188","2020-10-21","18:00:00",""
"4130829","9.5745","0.0006","17.2047","0.0012","12.0212","0.0008","90","","103.504","0.003","90","","1925.5","0.2","100","2","100","2","","","","","","","","4","P 1 c 1","P -2yc","7","KK3-106-3","sarpong132","","- C22 H27 N O4 -","- C22 H27 N O4 -","- C88 H108 N4 O16 -","4","2","","Kou, Kevin G. M.; Li, Beryl X.; Lee, Jack C.; Gallego, Gary M.; Lebold, Terry P.; DiPasquale, Antonio G.; Sarpong, Richmond","Syntheses of Denudatine Diterpenoid Alkaloids: Cochlearenine, N-Ethyl-1α-hydroxy-17-veratroyldictyzine, and Paniculamine.","Journal of the American Chemical Society","2016","138","34","10830","10833","10.1021/jacs.6b07268","","","1.54178","CuKα","","0.029","0.0286","","","0.0756","0.076","","","","","","1.048","","","","has coordinates","241189","2020-10-21","18:00:00",""
"4130830","23.9341","0.0008","11.7122","0.0004","16.9699","0.0005","90","","109.488","0.002","90","","4484.5","0.3","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","KK2-075","sarpong121","","- C25 H35 N O6 -","- C25 H35 N O6 -","- C200 H280 N8 O48 -","8","1","","Kou, Kevin G. M.; Li, Beryl X.; Lee, Jack C.; Gallego, Gary M.; Lebold, Terry P.; DiPasquale, Antonio G.; Sarpong, Richmond","Syntheses of Denudatine Diterpenoid Alkaloids: Cochlearenine, N-Ethyl-1α-hydroxy-17-veratroyldictyzine, and Paniculamine.","Journal of the American Chemical Society","2016","138","34","10830","10833","10.1021/jacs.6b07268","","","0.71073","MoKα","","0.0655","0.0541","","","0.1426","0.1549","","","","","","1.036","","","","has coordinates","241190","2020-10-21","18:00:00",""
"4130831","6.7056","0.0005","19.1395","0.0013","14.5164","0.001","90","","98.255","0.004","90","","1843.8","0.2","250","2","250","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","KK3-129-4","sarpong133","","- C22 H27 N O4 -","- C22 H27 N O4 -","- C88 H108 N4 O16 -","4","1","","Kou, Kevin G. M.; Li, Beryl X.; Lee, Jack C.; Gallego, Gary M.; Lebold, Terry P.; DiPasquale, Antonio G.; Sarpong, Richmond","Syntheses of Denudatine Diterpenoid Alkaloids: Cochlearenine, N-Ethyl-1α-hydroxy-17-veratroyldictyzine, and Paniculamine.","Journal of the American Chemical Society","2016","138","34","10830","10833","10.1021/jacs.6b07268","","","1.54178","CuKα","","0.0757","0.071","","","0.167","0.1696","","","","","","1.161","","","","has coordinates","241191","2020-10-21","18:00:00",""
"4130832","6.7971","0.0003","17.5258","0.0008","8.2107","0.0003","90","","91.635","0.002","90","","977.7","0.07","100","2","100","2","","","","","","","","4","P 1 c 1","P -2yc","7","KK2-168","sarpong124","","- C23 H29 N O5 -","- C23 H29 N O5 -","- C46 H58 N2 O10 -","2","1","","Kou, Kevin G. M.; Li, Beryl X.; Lee, Jack C.; Gallego, Gary M.; Lebold, Terry P.; DiPasquale, Antonio G.; Sarpong, Richmond","Syntheses of Denudatine Diterpenoid Alkaloids: Cochlearenine, N-Ethyl-1α-hydroxy-17-veratroyldictyzine, and Paniculamine.","Journal of the American Chemical Society","2016","138","34","10830","10833","10.1021/jacs.6b07268","","","1.54178","CuKα","","0.0252","0.0251","","","0.0636","0.0636","","","","","","1.052","","","","has coordinates","241192","2020-10-21","18:00:00",""
"4130833","25.0036","0.0009","25.0036","0.0009","23.9683","0.0008","90","","90","","90","","14984.5","0.9","100","","100","","","","","","","","","6","I 4","I 4","79","","","","- C67.5 H55.5 Cl8.5 N5 O3.25 Rh -","- C67.5 H55.5 Cl8.5 N5 O3.25 Rh -","- C540 H444 Cl68 N40 O26 Rh8 -","8","1","","Nakamura, Munechika; Kishimoto, Kazuki; Kobori, Yasuhiro; Abe, Tomoka; Yoza, Kenji; Kobayashi, Kenji","Self-Assembled Molecular Gear: A 4:1 Complex of Rh(III)Cl Tetraarylporphyrin and Tetra(p-pyridyl)cavitand.","Journal of the American Chemical Society","2016","138","38","12564","12577","10.1021/jacs.6b07284","","","0.71073","MoKα","","0.1006","0.0837","","","0.23","0.2459","","","","","","1.065","","","","has coordinates,has disorder","241193","2020-10-21","18:00:00",""
"4130834","7.9066","0.0005","17.551","0.0013","22.4279","0.0018","90","","90","","90","","3112.3","0.4","110","2","110","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C30 H44 Cl3 Mg N3 O -","- C30 H44 Cl3 Mg N3 O -","- C120 H176 Cl12 Mg4 N12 O4 -","4","1","","Rosen, Tomer; Goldberg, Israel; Venditto, Vincenzo; Kol, Moshe","Tailor-Made Stereoblock Copolymers of Poly(lactic acid) by a Truly Living Polymerization Catalyst.","Journal of the American Chemical Society","2016","138","37","12041","12044","10.1021/jacs.6b07287","","","0.71073","MoKα","","0.0733","0.0634","","","0.1638","0.1718","","","","","","1.045","","","","has coordinates","241194","2020-10-21","18:00:00",""
"4130835","31.894","0.002","15.394","0.001","7.9405","0.0005","90","","90","","90","","3898.6","0.4","100","2","100","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C40 H53 Cl Hf Si2 Sn -","- C40 H53 Cl Hf Si2 Sn -","- C160 H212 Cl4 Hf4 Si8 Sn4 -","4","0.5","","Kuwabara, Takuya; Nakada, Marisa; Hamada, Jumpei; Guo, Jing Dong; Nagase, Shigeru; Saito, Masaichi","(η(4)-Butadiene)Sn(0) Complexes: A New Approach for Zero-Valent p-Block Elements Utilizing a Butadiene as a 4π-Electron Donor.","Journal of the American Chemical Society","2016","138","35","11378","11382","10.1021/jacs.6b07304","","","0.71073","MoKα","","0.0483","0.0387","","","0.0779","0.0811","","","","","","1.099","","","","has coordinates","241195","2020-10-21","18:00:00",""
"4130836","8.0406","0.0004","15.0059","0.0007","33.2314","0.0016","90","","90","","90","","4009.6","0.3","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C42 H58 Hf O Si2 Sn -","- C42 H58 Hf O Si2 Sn -","- C168 H232 Hf4 O4 Si8 Sn4 -","4","1","","Kuwabara, Takuya; Nakada, Marisa; Hamada, Jumpei; Guo, Jing Dong; Nagase, Shigeru; Saito, Masaichi","(η(4)-Butadiene)Sn(0) Complexes: A New Approach for Zero-Valent p-Block Elements Utilizing a Butadiene as a 4π-Electron Donor.","Journal of the American Chemical Society","2016","138","35","11378","11382","10.1021/jacs.6b07304","","","0.71073","MoKα","","0.037","0.0331","","","0.0623","0.0637","","","","","","1.001","","","","has coordinates","241195","2020-10-21","18:00:00",""
"4130837","9.229","0.002","10.253","0.003","11.671","0.003","89.69","0.02","77.64","0.02","64.1","0.03","965.5","0.5","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C40 H64 N2 Si2 -","- C40 H64 N2 Si2 -","- C40 H64 N2 Si2 -","1","0.5","","Mohapatra, Chandrajeet; Kundu, Subrata; Paesch, Alexander N.; Herbst-Irmer, Regine; Stalke, Dietmar; Andrada, Diego M.; Frenking, Gernot; Roesky, Herbert W.","The Structure of the Carbene Stabilized Si2H2 May Be Equally Well Described with Coordinate Bonds as with Classical Double Bonds.","Journal of the American Chemical Society","2016","138","33","10429","10432","10.1021/jacs.6b07361","","","0.71073","MoKα","","0.0557","0.0387","","","0.0775","0.0848","","","","","","1.03","","","","has coordinates","241196","2020-10-21","18:00:00",""
"4130838","6.3276","0.0011","15.14","0.003","14.425","0.003","90","","94.901","0.005","90","","1376.9","0.5","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C16 H23 N O -","- C16 H23 N O -","- C64 H92 N4 O4 -","4","2","","Guo, Wusheng; Martínez-Rodríguez, Luis; Kuniyil, Rositha; Martin, Eddy; Escudero-Adán, Eduardo C; Maseras, Feliu; Kleij, Arjan W.","Stereoselective and Versatile Preparation of Tri- and Tetrasubstituted Allylic Amine Scaffolds under Mild Conditions.","Journal of the American Chemical Society","2016","138","36","11970","11978","10.1021/jacs.6b07382","","","0.71073","MoKα","","0.0436","0.041","","","0.1112","0.1135","","","","","","1.059","","","","has coordinates","241197","2020-10-21","18:00:00",""
"4130839","30.582","0.005","12.1062","0.0017","7.4499","0.0011","90","","97.785","0.003","90","","2732.8","0.7","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C17 H19 N O -","- C17 H19 N O -","- C136 H152 N8 O8 -","8","1","","Guo, Wusheng; Martínez-Rodríguez, Luis; Kuniyil, Rositha; Martin, Eddy; Escudero-Adán, Eduardo C; Maseras, Feliu; Kleij, Arjan W.","Stereoselective and Versatile Preparation of Tri- and Tetrasubstituted Allylic Amine Scaffolds under Mild Conditions.","Journal of the American Chemical Society","2016","138","36","11970","11978","10.1021/jacs.6b07382","","","0.7107","MoKα","","0.0438","0.0392","","","0.1048","0.108","","","","","","1.033","","","","has coordinates","241198","2020-10-21","18:00:00",""
"4130840","21.4117","0.0005","21.3974","0.0004","25.7847","0.0007","90","","114.123","0.003","90","","10781.7","0.5","123","1","123","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C47.5 H75 N6 P3 Si3 -","- C47.5 H75 N6 P3 Si3 -","- C380 H600 N48 P24 Si24 -","8","2","","Seitz, Andreas E.; Eckhardt, Maria; Erlebach, Andreas; Peresypkina, Eugenia V.; Sierka, Marek; Scheer, Manfred","Pnictogen-Silicon Analogues of Benzene.","Journal of the American Chemical Society","2016","138","33","10433","10436","10.1021/jacs.6b07389","","x-ray","1.54178","CuKα","","0.0726","0.0624","","","0.1806","0.1941","","","","","","1.082","","","","has coordinates,has disorder","241199","2020-10-21","18:00:00",""
"4130841","21.5579","0.0005","21.7446","0.0007","46.7236","0.0015","90","","90","","90","","21902.5","1.1","123","2","123","2","","","","","","","","5","F d d d :2","-F 2uv 2vw","70","","","","- C48.5 H73 As3 N6 Si3 -","- C48 H72.75 As3 N6 Si3 -","- C768 H1164 As48 N96 Si48 -","16","0.5","","Seitz, Andreas E.; Eckhardt, Maria; Erlebach, Andreas; Peresypkina, Eugenia V.; Sierka, Marek; Scheer, Manfred","Pnictogen-Silicon Analogues of Benzene.","Journal of the American Chemical Society","2016","138","33","10433","10436","10.1021/jacs.6b07389","","","1.54178","CuKα","","0.0583","0.0402","","","0.0977","0.1023","","","","","","1.002","","","","has coordinates,has disorder","241200","2020-10-21","18:00:00",""
"4130842","9.29","0.0006","9.9536","0.0006","12.5142","0.0008","69.954","0.006","77.338","0.005","86.516","0.005","1060.5","0.12","123","1","123","1","","","","","","","","6","P -1","-P 1","2","","","","- C42 H46 As2 D12 N4 Si2 -","- C42 H46 As2 D12 N4 Si2 -","- C42 H46 As2 D12 N4 Si2 -","1","0.5","","Seitz, Andreas E.; Eckhardt, Maria; Erlebach, Andreas; Peresypkina, Eugenia V.; Sierka, Marek; Scheer, Manfred","Pnictogen-Silicon Analogues of Benzene.","Journal of the American Chemical Society","2016","138","33","10433","10436","10.1021/jacs.6b07389","","x-ray","1.54184","CuKα","","0.0307","0.0275","","","0.0765","0.0791","","","","","","1.143","","","","has coordinates","241201","2020-10-21","18:00:00",""
"4130843","5.0374","0.0006","5.3641","0.0007","7.0068","0.0009","72.004","0.002","76.098","0.002","87.219","0.002","174.73","0.04","290","2","290.01","","","","","","","","","3","P -1","-P 1","2","","","","- C8 H6 O4 -","- C8 H6 O4 -","- C8 H6 O4 -","1","0.5","","Karothu, Durga Prasad; Weston, James; Desta, Israel Tilahun; Naumov, Panče","Shape-Memory and Self-Healing Effects in Mechanosalient Molecular Crystals.","Journal of the American Chemical Society","2016","138","40","13298","13306","10.1021/jacs.6b07406","","","0.71073","MoKα","","0.0388","0.0354","","","0.11","0.1148","","","","","","1.044","","","","has coordinates","241202","2020-10-21","18:00:00",""
"4130844","3.7793","0.0006","6.4791","0.001","7.404","0.0011","82.942","0.002","81.006","0.002","88.982","0.002","177.71","0.05","390","2","389.99","","","","","","","","","3","P -1","-P 1","2","","","","- C8 H6 O4 -","- C8 H6 O4 -","- C8 H6 O4 -","1","0.5","","Karothu, Durga Prasad; Weston, James; Desta, Israel Tilahun; Naumov, Panče","Shape-Memory and Self-Healing Effects in Mechanosalient Molecular Crystals.","Journal of the American Chemical Society","2016","138","40","13298","13306","10.1021/jacs.6b07406","","","0.71073","MoKα","","0.043","0.0395","","","0.1142","0.1174","","","","","","1.147","","","","has coordinates","241203","2020-10-21","18:00:00",""
"4130845","5.0384","0.0005","5.3623","0.0005","7.006","0.0007","71.993","0.001","76.093","0.001","87.198","0.001","174.67","0.03","290","2","290","2","","","","","","","","3","P -1","-P 1","2","","","","- C8 H6 O4 -","- C8 H6 O4 -","- C8 H6 O4 -","1","0.5","","Karothu, Durga Prasad; Weston, James; Desta, Israel Tilahun; Naumov, Panče","Shape-Memory and Self-Healing Effects in Mechanosalient Molecular Crystals.","Journal of the American Chemical Society","2016","138","40","13298","13306","10.1021/jacs.6b07406","","","0.71073","MoKα","","0.0363","0.0337","","","0.1062","0.1104","","","","","","1.044","","","","has coordinates","241204","2020-10-21","18:00:00",""
"4130846","15.0088","0.0004","10.2881","0.0003","16.7851","0.0012","90","","105.568","0.008","90","","2496.7","0.2","123","","123","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C36.5 H21 Cl O -","- C36.5 H21 Cl O -","- C146 H84 Cl4 O4 -","4","2","","Sako, Makoto; Takeuchi, Yoshiki; Tsujihara, Tetsuya; Kodera, Junpei; Kawano, Tomikazu; Takizawa, Shinobu; Sasai, Hiroaki","Efficient Enantioselective Synthesis of Oxahelicenes Using Redox/Acid Cooperative Catalysts.","Journal of the American Chemical Society","2016","138","36","11481","11484","10.1021/jacs.6b07424","","","1.54187","CuKα","","","0.0554","","","","0.1567","","","","","","1.008","","","","has coordinates","250444","2020-10-21","18:00:00",""
"4130847","7.417","0.0004","10.589","0.0006","25.5745","0.0016","90","","93.439","0.005","90","","2005","0.2","240","2","240","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H17 N O6 -","- C24 H17 N O6 -","- C96 H68 N4 O24 -","4","1","","Liu, Chong; Zeng, Chenjie; Luo, Tian-Yi; Merg, Andrea D.; Jin, Rongchao; Rosi, Nathaniel L.","Establishing Porosity Gradients within Metal-Organic Frameworks Using Partial Postsynthetic Ligand Exchange.","Journal of the American Chemical Society","2016","138","37","12045","12048","10.1021/jacs.6b07445","","","1.54178","CuKα","","0.1296","0.094","","","0.2302","0.2448","","","","","","1.538","","","","has coordinates","241206","2020-10-21","18:00:00",""
"4130848","3.9365","0.0008","12.261","0.002","15.859","0.003","111.241","0.013","91.027","0.015","91.753","0.015","712.8","0.2","240","2","240","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H10 Br N O4 -","- C16 H10 Br N O4 -","- C32 H20 Br2 N2 O8 -","2","1","","Liu, Chong; Zeng, Chenjie; Luo, Tian-Yi; Merg, Andrea D.; Jin, Rongchao; Rosi, Nathaniel L.","Establishing Porosity Gradients within Metal-Organic Frameworks Using Partial Postsynthetic Ligand Exchange.","Journal of the American Chemical Society","2016","138","37","12045","12048","10.1021/jacs.6b07445","","","1.54178","CuKα","","0.0817","0.0772","","","0.1923","0.1986","","","","","","1.054","","","","has coordinates","241207","2020-10-21","18:00:00",""
"4130849","22.7448","0.0019","6.433","0.0005","16.2309","0.0013","90","","105.714","0.005","90","","2286.1","0.3","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C13 H15 B N2 -","- C13 H15 B N2 -","- C104 H120 B8 N16 -","8","1","","Gellrich, Urs; Diskin-Posner, Yael; Shimon, Linda J. W.; Milstein, David","Reversible Aromaticity Transfer in a Bora-Cycle: Boron-Ligand Cooperation.","Journal of the American Chemical Society","2016","138","40","13307","13313","10.1021/jacs.6b07454","","","0.71073","MoKα","","0.0929","0.051","","","0.1213","0.1409","","","","","","1.01","","","","has coordinates","241208","2020-10-21","18:00:00",""
"4130850","11.76794","0.00009","11.3623","0.00009","13.01027","0.00009","90","","104.026","0.0008","90","","1687.75","0.02","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H19 B N2 O2 -","- C20 H19 B N2 O2 -","- C80 H76 B4 N8 O8 -","4","1","","Gellrich, Urs; Diskin-Posner, Yael; Shimon, Linda J. W.; Milstein, David","Reversible Aromaticity Transfer in a Bora-Cycle: Boron-Ligand Cooperation.","Journal of the American Chemical Society","2016","138","40","13307","13313","10.1021/jacs.6b07454","","","1.54184","CuKα","","0.043","0.0392","","","0.0993","0.1019","","","","","","1.077","","","","has coordinates","241208","2020-10-21","18:00:00",""
"4130851","8.4885","0.0005","22.9762","0.0015","15.9265","0.001","90","","99.651","0.002","90","","3062.2","0.3","120","2","120","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C33 H30 Cu F5 N2 -","- C33 H30 Cu F5 N2 -","- C132 H120 Cu4 F20 N8 -","4","0.5","","Xie, Weilong; Yoon, Jung Hee; Chang, Sukbok","(NHC)Cu-Catalyzed Mild C-H Amidation of (Hetero)arenes with Deprotectable Carbamates: Scope and Mechanistic Studies.","Journal of the American Chemical Society","2016","138","38","12605","12614","10.1021/jacs.6b07486","","","0.71073","MoKα","","0.1072","0.0775","","","0.1956","0.2198","","","","","","1.051","","","","has coordinates","241209","2020-10-21","18:00:00",""
"4130852","6.9147","0.0002","7.9421","0.0003","13.3691","0.0004","97.113","0.002","101.828","0.002","99.78","0.002","698.52","0.04","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H15 Cl N2 O3 -","- C14 H15 Cl N2 O3 -","- C28 H30 Cl2 N4 O6 -","2","1","","Xie, Weilong; Yoon, Jung Hee; Chang, Sukbok","(NHC)Cu-Catalyzed Mild C-H Amidation of (Hetero)arenes with Deprotectable Carbamates: Scope and Mechanistic Studies.","Journal of the American Chemical Society","2016","138","38","12605","12614","10.1021/jacs.6b07486","","","0.71073","MoKα","","0.0334","0.0302","","","0.0873","0.0911","","","","","","0.915","","","","has coordinates","241210","2020-10-21","18:00:00",""
"4130853","10.0597","0.0006","10.189","0.0005","19.756","0.0011","90","0.002","95.22","0.002","90","0.002","2016.56","0.19","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C8 H12 N2 O2 S -","- C8 H12 N2 O2 S -","- C64 H96 N16 O16 S8 -","8","2","","Xie, Weilong; Yoon, Jung Hee; Chang, Sukbok","(NHC)Cu-Catalyzed Mild C-H Amidation of (Hetero)arenes with Deprotectable Carbamates: Scope and Mechanistic Studies.","Journal of the American Chemical Society","2016","138","38","12605","12614","10.1021/jacs.6b07486","","","0.71073","MoKα","","0.0632","0.0477","","","0.1614","0.1733","","","","","","1.271","","","","has coordinates","241211","2020-10-21","18:00:00",""
"4130854","6.1687","0.0002","22.867","0.0008","8.7061","0.0003","90","","94.893","0.002","90","","1223.6","0.07","133","2","133","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H14 N2 O2 S -","- C12 H14 N2 O2 S -","- C48 H56 N8 O8 S4 -","4","1","","Xie, Weilong; Yoon, Jung Hee; Chang, Sukbok","(NHC)Cu-Catalyzed Mild C-H Amidation of (Hetero)arenes with Deprotectable Carbamates: Scope and Mechanistic Studies.","Journal of the American Chemical Society","2016","138","38","12605","12614","10.1021/jacs.6b07486","","","0.71073","MoKα","","0.0978","0.0668","","","0.1621","0.1746","","","","","","1.144","","","","has coordinates","241212","2020-10-21","18:00:00",""
"4130855","16.3196","0.0006","19.5049","0.0007","20.4967","0.0008","90","","90","","90","","6524.3","0.4","120","2","120","2","","","","","","","","7","P b c n","-P 2n 2ab","60","","","","- C32 H42 Br Cu N3 O0.5 S -","- C32 H42 Br Cu N3 O0.5 S -","- C256 H336 Br8 Cu8 N24 O4 S8 -","8","1","","Xie, Weilong; Yoon, Jung Hee; Chang, Sukbok","(NHC)Cu-Catalyzed Mild C-H Amidation of (Hetero)arenes with Deprotectable Carbamates: Scope and Mechanistic Studies.","Journal of the American Chemical Society","2016","138","38","12605","12614","10.1021/jacs.6b07486","","","0.71073","MoKα","","0.0507","0.0428","","","0.1093","0.1176","","","","","","1.026","","","","has coordinates","271475","2021-12-16","11:44:43",""
"4130856","9.9952","0.0007","11.0255","0.0007","16.6818","0.0011","107.292","0.003","93.899","0.003","113.654","0.003","1570.52","0.19","153","2","153","2","","","","","","","","6","P -1","-P 1","2","","","","- C32 H34 Cu F4 N3 O2 -","- C32 H34 Cu F4 N3 O2 -","- C64 H68 Cu2 F8 N6 O4 -","2","1","","Xie, Weilong; Yoon, Jung Hee; Chang, Sukbok","(NHC)Cu-Catalyzed Mild C-H Amidation of (Hetero)arenes with Deprotectable Carbamates: Scope and Mechanistic Studies.","Journal of the American Chemical Society","2016","138","38","12605","12614","10.1021/jacs.6b07486","","","0.71073","MoKα","","0.057","0.0439","","","0.1131","0.1289","","","","","","1.111","","","","has coordinates","241214","2020-10-21","18:00:00",""
"4130857","13.3949","0.0008","5.0875","0.0003","19.3422","0.0012","90","","102.165","0.002","90","","1288.51","0.13","133","2","133","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H13 F4 N O3 -","- C12 H13 F4 N O3 -","- C48 H52 F16 N4 O12 -","4","1","","Xie, Weilong; Yoon, Jung Hee; Chang, Sukbok","(NHC)Cu-Catalyzed Mild C-H Amidation of (Hetero)arenes with Deprotectable Carbamates: Scope and Mechanistic Studies.","Journal of the American Chemical Society","2016","138","38","12605","12614","10.1021/jacs.6b07486","","","0.71073","MoKα","","0.1311","0.0601","","","0.108","0.129","","","","","","1.014","","","","has coordinates","241215","2020-10-21","18:00:00",""
"4130858","28.274","0.004","4.8094","0.0007","10.6249","0.0014","90","","107.141","0.009","90","","1380.6","0.3","296","2","296","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C11 H17 N5 O2 -","- C11 H17 N5 O2 -","- C44 H68 N20 O8 -","4","1","","Krishnan, Baiju P.; Rai, Rishika; Asokan, Aromal; Sureshan, Kana M.","Crystal-to-Crystal Synthesis of Triazole-Linked Pseudo-proteins via Topochemical Azide-Alkyne Cycloaddition Reaction.","Journal of the American Chemical Society","2016","138","45","14824","14827","10.1021/jacs.6b07538","","","0.71073","MoKα","","0.1144","0.0711","","","0.184","0.2138","","","","","","0.981","","","","has coordinates","241216","2020-10-21","18:00:00",""
"4130859","5.4275","0.0005","18.9357","0.0017","16.5145","0.0015","90","","91.1186","0.0012","90","","1696.9","0.3","88","2","88","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C20 H19 Br O2 -","- C20 H19 Br O2 -","- C80 H76 Br4 O8 -","4","2","","Erickson, Lucas W.; Lucas, Erika L.; Tollefson, Emily J.; Jarvo, Elizabeth R.","Nickel-Catalyzed Cross-Electrophile Coupling of Alkyl Fluorides: Stereospecific Synthesis of Vinylcyclopropanes.","Journal of the American Chemical Society","2016","138","42","14006","14011","10.1021/jacs.6b07567","","","0.71073","MoKα","","0.0306","0.028","","","0.0713","0.0725","","","","","","1.077","","","","has coordinates","241217","2020-10-21","18:00:00",""
"4130860","5.355","0.0003","8.9629","0.0005","28.7336","0.0016","90","","90","","90","","1379.11","0.13","133","2","133","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C14 H18 O4 S -","- C14 H18 O4 S -","- C56 H72 O16 S4 -","4","1","","Erickson, Lucas W.; Lucas, Erika L.; Tollefson, Emily J.; Jarvo, Elizabeth R.","Nickel-Catalyzed Cross-Electrophile Coupling of Alkyl Fluorides: Stereospecific Synthesis of Vinylcyclopropanes.","Journal of the American Chemical Society","2016","138","42","14006","14011","10.1021/jacs.6b07567","","","0.71073","MoKα","","0.0288","0.0274","","","0.0697","0.0708","","","","","","1.054","","","","has coordinates","241218","2020-10-21","18:00:00",""
"4130861","5.7195","0.0004","14.2673","0.001","11.2806","0.0008","90","","90.5948","0.0009","90","","920.47","0.11","88","2","88","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C20 H22 O4 S -","- C20 H22 O4 S -","- C40 H44 O8 S2 -","2","1","","Erickson, Lucas W.; Lucas, Erika L.; Tollefson, Emily J.; Jarvo, Elizabeth R.","Nickel-Catalyzed Cross-Electrophile Coupling of Alkyl Fluorides: Stereospecific Synthesis of Vinylcyclopropanes.","Journal of the American Chemical Society","2016","138","42","14006","14011","10.1021/jacs.6b07567","","","0.71073","MoKα","","0.0271","0.0261","","","0.066","0.0668","","","","","","1.032","","","","has coordinates","241219","2020-10-21","18:00:00",""
"4130862","11.1579","0.0008","41.517","0.003","12.1931","0.0006","90","","104.766","0.006","90","","5461.8","0.6","85","2","85","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C51 H56 N10 O11 Zn -","- C51 H56 N10 O11 Zn -","- C204 H224 N40 O44 Zn4 -","4","1","","Sevov, Christo S.; Fisher, Sydney L.; Thompson, Levi T.; Sanford, Melanie S.","Mechanism-Based Development of a Low-Potential, Soluble, and Cyclable Multielectron Anolyte for Nonaqueous Redox Flow Batteries.","Journal of the American Chemical Society","2016","138","47","15378","15384","10.1021/jacs.6b07638","","","1.54184","CuKα","","0.1388","0.1167","","","0.3261","0.3606","","","","","","1.582","","","","has coordinates","241220","2020-10-21","18:00:00",""
"4130863","11.2462","0.0002","41.9047","0.0008","12.0982","0.0009","90","","104.024","0.007","90","","5531.6","0.5","85","2","85","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C51 H56 Mn N10 O11 -","- C51 H56 Mn N10 O11 -","- C204 H224 Mn4 N40 O44 -","4","1","","Sevov, Christo S.; Fisher, Sydney L.; Thompson, Levi T.; Sanford, Melanie S.","Mechanism-Based Development of a Low-Potential, Soluble, and Cyclable Multielectron Anolyte for Nonaqueous Redox Flow Batteries.","Journal of the American Chemical Society","2016","138","47","15378","15384","10.1021/jacs.6b07638","","","1.54178","CuKα","","0.1439","0.1234","","","0.3286","0.3542","","","","","","1.532","","","","has coordinates","241221","2020-10-21","18:00:00",""
"4130864","11.134","0.0007","41.701","0.002","12.1981","0.0005","90","","104.828","0.005","90","","5475","0.5","85","2","85","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C51 H56 Fe N10 O11 -","- C51 H56 Fe N10 O11 -","- C204 H224 Fe4 N40 O44 -","4","1","","Sevov, Christo S.; Fisher, Sydney L.; Thompson, Levi T.; Sanford, Melanie S.","Mechanism-Based Development of a Low-Potential, Soluble, and Cyclable Multielectron Anolyte for Nonaqueous Redox Flow Batteries.","Journal of the American Chemical Society","2016","138","47","15378","15384","10.1021/jacs.6b07638","","","1.54184","CuKα","","0.1329","0.1171","","","0.3038","0.3253","","","","","","1.526","","","","has coordinates","241222","2020-10-21","18:00:00",""
"4130865","11.1373","0.0003","41.835","0.0012","12.177","0.0002","90","","104.831","0.002","90","","5484.6","0.2","85","2","85","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C51 H56 N10 Ni O11 -","- C51 H56 N10 Ni O11 -","- C204 H224 N40 Ni4 O44 -","4","1","","Sevov, Christo S.; Fisher, Sydney L.; Thompson, Levi T.; Sanford, Melanie S.","Mechanism-Based Development of a Low-Potential, Soluble, and Cyclable Multielectron Anolyte for Nonaqueous Redox Flow Batteries.","Journal of the American Chemical Society","2016","138","47","15378","15384","10.1021/jacs.6b07638","","","1.54184","CuKα","","0.1046","0.0958","","","0.2699","0.2808","","","","","","1.026","","","","has coordinates","241223","2020-10-21","18:00:00",""
"4130866","10.3389","0.0002","7.9833","0.0001","28.328","0.002","90","","93.658","0.007","90","","2333.39","0.17","85","2","85","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C25 H27 N5 O5 -","- C25 H27 N5 O5 -","- C100 H108 N20 O20 -","4","1","","Sevov, Christo S.; Fisher, Sydney L.; Thompson, Levi T.; Sanford, Melanie S.","Mechanism-Based Development of a Low-Potential, Soluble, and Cyclable Multielectron Anolyte for Nonaqueous Redox Flow Batteries.","Journal of the American Chemical Society","2016","138","47","15378","15384","10.1021/jacs.6b07638","","","1.54178","CuKα","","0.0634","0.0577","","","0.1591","0.1643","","","","","","1.106","","","","has coordinates","241224","2020-10-21","18:00:00",""
"4130867","23.676","0.0007","19.0674","0.0006","19.8863","0.0006","90","","104.224","0.0018","90","","8702.2","0.5","123","2","123","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","15269a","","- C57 H44 O6 -","- C57 H44 O6 -","- C456 H352 O48 -","8","1","","Xu, Feng; Hershey, Kyle W.; Holmes, Russell J.; Hoye, Thomas R.","Blue-Emitting Arylalkynyl Naphthalene Derivatives via a Hexadehydro-Diels-Alder Cascade Reaction.","Journal of the American Chemical Society","2016","138","39","12739","12742","10.1021/jacs.6b07647","","","1.54178","CuKα","","0.0446","0.0388","","","0.1006","0.1068","","","","","","1.031","","","","has coordinates","241225","2020-10-21","18:00:00",""
"4130868","16.931","0.003","18.21","0.004","25.511","0.004","90","","90","","90","","7865","3","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","Cucurbituril+Nandrolone","","- C60 H68 N28 O34 -","- C60 H68 N28 O34 -","- C240 H272 N112 O136 -","4","1","","Lazar, Alexandra I.; Biedermann, Frank; Mustafina, Kamila R.; Assaf, Khaleel I.; Hennig, Andreas; Nau, Werner M.","Nanomolar Binding of Steroids to Cucurbit[n]urils: Selectivity and Applications.","Journal of the American Chemical Society","2016","138","39","13022","13029","10.1021/jacs.6b07655","","","0.71073","MoKα","","0.1642","0.1091","","","0.2671","0.3273","","","","","","1.102","","","","has coordinates","241226","2020-10-21","18:00:00",""
"4130869","7.2433","0.0016","20.504","0.004","27.708","0.005","90","","90","","90","","4115.1","1.4","150.01","0.11","150.01","0.11","","","","","","","","6","P 1 n 1","P -2yac","7","","","","- C28 H14 B2 N2 O8 S2 -","- C28 H14 B2 N2 O8 S2 -","- C112 H56 B8 N8 O32 S8 -","4","2","","Carrillo, Josue Ayuso; Turner, Michael L.; Ingleson, Michael J.","A General Protocol for the Polycondensation of Thienyl N-Methyliminodiacetic Acid Boronate Esters To Form High Molecular Weight Copolymers.","Journal of the American Chemical Society","2016","138","40","13361","13368","10.1021/jacs.6b07666","","x-ray","0.71073","MoKα","","0.3032","0.139","","","0.3127","0.4249","","","","","","0.962","","","","has coordinates","241227","2020-10-21","18:00:00",""
"4130870","8.286","0.0002","10.6177","0.0004","28.689","0.0011","82.158","0.003","83.815","0.003","69.036","0.003","2330.15","0.15","150.02","0.13","150.02","0.13","","","","","","","","6","P -1","-P 1","2","","","","- C44 H69 B2 N3 O8 S2 -","- C44 H69 B2 N3 O8 S2 -","- C88 H138 B4 N6 O16 S4 -","2","1","","Carrillo, Josue Ayuso; Turner, Michael L.; Ingleson, Michael J.","A General Protocol for the Polycondensation of Thienyl N-Methyliminodiacetic Acid Boronate Esters To Form High Molecular Weight Copolymers.","Journal of the American Chemical Society","2016","138","40","13361","13368","10.1021/jacs.6b07666","","","0.71073","MoKα","","0.0864","0.0565","","","0.1184","0.1355","","","","","","1.044","","","","has coordinates","241228","2020-10-21","18:00:00",""
"4130871","6.7782","0.0004","34.87","0.002","12.1646","0.0007","90","","100.344","0.002","90","","2828.4","0.3","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C54 H68 B4 Cl4 O8 -","- C54 H68 B4 Cl4 O8 -","- C108 H136 B8 Cl8 O16 -","2","0.5","","Huang, Ze-Ao; Chen, Chen; Yang, Xiao-Di; Fan, Xiang-Bing; Zhou, Wen; Tung, Chen-Ho; Wu, Li-Zhu; Cong, Huan","Synthesis of Oligoparaphenylene-Derived Nanohoops Employing an Anthracene Photodimerization-Cycloreversion Strategy.","Journal of the American Chemical Society","2016","138","35","11144","11147","10.1021/jacs.6b07673","","","0.71073","MoKα","","0.146","0.1106","","","0.269","0.3005","","","","","","1.124","","","","has coordinates,has disorder","241229","2020-10-21","18:00:00",""
"4130872","16.5652","0.0004","17.2511","0.0005","19.2794","0.0005","68.221","0.001","79.126","0.001","74.271","0.001","4900.6","0.2","173","2","173","2","","","","","","","","2","P -1","-P 1","2","","","","- C100 H64 -","- C100 H64 -","- C200 H128 -","2","1","","Huang, Ze-Ao; Chen, Chen; Yang, Xiao-Di; Fan, Xiang-Bing; Zhou, Wen; Tung, Chen-Ho; Wu, Li-Zhu; Cong, Huan","Synthesis of Oligoparaphenylene-Derived Nanohoops Employing an Anthracene Photodimerization-Cycloreversion Strategy.","Journal of the American Chemical Society","2016","138","35","11144","11147","10.1021/jacs.6b07673","","","1.54178","CuKα","","0.1018","0.082","","","0.2322","0.2467","","","","","","1.078","","","","has coordinates","241230","2020-10-21","18:00:00",""
"4130873","11.6759","0.0005","23.0296","0.0009","16.4573","0.0007","90","","92.66","0.001","90","","4420.5","0.3","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","hxqC31","","","- C52 H47 N4 O Rh S2 -","- C52 H47 N4 O Rh S2 -","- C208 H188 N16 O4 Rh4 S8 -","4","1","","Huang, Xiaoqiang; Webster, Richard D.; Harms, Klaus; Meggers, Eric","Asymmetric Catalysis with Organic Azides and Diazo Compounds Initiated by Photoinduced Electron Transfer.","Journal of the American Chemical Society","2016","138","38","12636","12642","10.1021/jacs.6b07692","","","0.71073","MoKα","","0.0281","0.0227","","","0.0533","0.0556","","","","","","1.052","","","","has coordinates,has disorder","241231","2020-10-21","18:00:00",""
"4130874","9.8543","0.0004","13.1873","0.0006","15.4684","0.0007","90","","90","","90","","2010.14","0.15","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C22 H21 Br N2 O3 -","- C22 H21 Br N2 O3 -","- C88 H84 Br4 N8 O12 -","4","1","","Huang, Xiaoqiang; Webster, Richard D.; Harms, Klaus; Meggers, Eric","Asymmetric Catalysis with Organic Azides and Diazo Compounds Initiated by Photoinduced Electron Transfer.","Journal of the American Chemical Society","2016","138","38","12636","12642","10.1021/jacs.6b07692","","","0.71073","MoKα","","0.0394","0.0376","","","0.0778","0.0787","","","","","","1.152","","","","has coordinates,has disorder","241232","2020-10-21","18:00:00",""
"4130875","33.1646","0.0012","16.8051","0.0005","16.116","0.0004","90","","102.709","0.003","90","","8761.9","0.5","93","2","93","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C32 H40 Cl2 Ir2 N4 O5 -","- C32 H40 Cl2 Ir2 N4 O5 -","- C256 H320 Cl16 Ir16 N32 O40 -","8","2","","Sharninghausen, Liam S.; Sinha, Shashi Bhushan; Shopov, Dimitar Y.; Choi, Bonnie; Mercado, Brandon Q.; Roy, Xavier; Balcells, David; Brudvig, Gary W.; Crabtree, Robert H.","High Oxidation State Iridium Mono-μ-oxo Dimers Related to Water Oxidation Catalysis.","Journal of the American Chemical Society","2016","138","49","15917","15926","10.1021/jacs.6b07716","","","1.54178","CuKα","","0.0896","0.0721","","","0.1705","0.1844","","","","","","1.045","","","","has coordinates","241233","2020-10-21","18:00:00",""
"4130876","22.2543","0.0015","8.3385","0.0006","18.2152","0.0012","90","","98.991","0.007","90","","3338.6","0.4","93","2","93","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C32 H40 Cl2 Ir2 N4 O5 -","- C32 H40 Cl2 Ir2 N4 O5 -","- C128 H160 Cl8 Ir8 N16 O20 -","4","0.5","","Sharninghausen, Liam S.; Sinha, Shashi Bhushan; Shopov, Dimitar Y.; Choi, Bonnie; Mercado, Brandon Q.; Roy, Xavier; Balcells, David; Brudvig, Gary W.; Crabtree, Robert H.","High Oxidation State Iridium Mono-μ-oxo Dimers Related to Water Oxidation Catalysis.","Journal of the American Chemical Society","2016","138","49","15917","15926","10.1021/jacs.6b07716","","","1.54184","CuKα","","0.1204","0.0874","","","0.2241","0.262","","","","","","1.18","","","","has coordinates","241234","2020-10-21","18:00:00",""
"4130877","10.8298","0.0008","12.6652","0.0009","15.9733","0.0011","69.833","0.001","89.721","0.001","67.888","0.001","1885.6","0.2","93","2","93","2","","","","","","","","6","P -1","-P 1","2","","","","- C32 H40 Cl2 Ir2 N4 O5 -","- C32 H40 Cl2 Ir2 N4 O5 -","- C64 H80 Cl4 Ir4 N8 O10 -","2","1","","Sharninghausen, Liam S.; Sinha, Shashi Bhushan; Shopov, Dimitar Y.; Choi, Bonnie; Mercado, Brandon Q.; Roy, Xavier; Balcells, David; Brudvig, Gary W.; Crabtree, Robert H.","High Oxidation State Iridium Mono-μ-oxo Dimers Related to Water Oxidation Catalysis.","Journal of the American Chemical Society","2016","138","49","15917","15926","10.1021/jacs.6b07716","","","0.71073","MoKα","","0.0338","0.028","","","0.0693","0.0708","","","","","","0.961","","","","has coordinates","241235","2020-10-21","18:00:00",""
"4130878","17.69275","0.00019","12.14541","0.00009","15.50402","0.00015","90","","114.032","0.0012","90","","3042.8","0.06","160","2","160","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C38 H36 Au F2 N -","- C38 H36 Au F2 N -","- C152 H144 Au4 F8 N4 -","4","1","","Kumar, Roopender; Linden, Anthony; Nevado, Cristina","Evidence for Direct Transmetalation of Au<sup>III</sup>-F with Boronic Acids.","Journal of the American Chemical Society","2016","138","42","13790","13793","10.1021/jacs.6b07763","","","0.71073","MoKα","","0.0294","0.0209","","","0.0429","0.0468","","","","","","1.072","","","","has coordinates","241236","2020-10-21","18:00:00",""
"4130879","31.0475","0.0002","31.0475","0.0002","41.4313","0.0004","90","","90","","90","","39937.6","0.5","160","2","160","2","","","","","","","","6","I 41/a :2","-I 4ad","88","","","","- C34.83 H39.33 Au Cl2.33 F N -","- C34.8333 H39.3333 Au Cl2.33333 F N -","- C1672 H1888 Au48 Cl112 F48 N48 -","48","3","","Kumar, Roopender; Linden, Anthony; Nevado, Cristina","Evidence for Direct Transmetalation of Au<sup>III</sup>-F with Boronic Acids.","Journal of the American Chemical Society","2016","138","42","13790","13793","10.1021/jacs.6b07763","","","0.71073","MoKα","","0.0961","0.0463","","","0.0925","0.112","","","","","","1.031","","","","has coordinates,has disorder","241237","2020-10-21","18:00:00",""
"4130880","7.45956","0.00014","16.6803","0.0002","16.8248","0.0004","90","","90","","90","","2093.47","0.07","160","2","160","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C12 H9 Au F3 N -","- C12 H9 Au F3 N -","- C96 H72 Au8 F24 N8 -","8","1","","Kumar, Roopender; Linden, Anthony; Nevado, Cristina","Evidence for Direct Transmetalation of Au<sup>III</sup>-F with Boronic Acids.","Journal of the American Chemical Society","2016","138","42","13790","13793","10.1021/jacs.6b07763","","","0.71073","MoKα","","0.0463","0.0299","","","0.0595","0.0676","","","","","","1.09","","","","has coordinates","241238","2020-10-21","18:00:00",""
"4130881","13.7561","0.0002","16.1","0.0008","14.8396","0.0002","90","","101.209","0.0015","90","","3223.88","0.17","160","2","160","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C15.5 H17 Au Cl F2 N O3 -","- C15.5 H17 Au Cl F2 N O3 -","- C124 H136 Au8 Cl8 F16 N8 O24 -","8","1","","Kumar, Roopender; Linden, Anthony; Nevado, Cristina","Evidence for Direct Transmetalation of Au<sup>III</sup>-F with Boronic Acids.","Journal of the American Chemical Society","2016","138","42","13790","13793","10.1021/jacs.6b07763","","","0.71073","MoKα","","0.0397","0.0366","","","0.0758","0.0777","","","","","","1.046","","","","has coordinates","241239","2020-10-21","18:00:00",""
"4130882","18.8532","0.001","10.5063","0.0006","19.8505","0.0014","90","","93.844","0.005","90","","3923.1","0.4","160","1","160","1","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C47 H58 Au N -","- C47 H58 Au N -","- C188 H232 Au4 N4 -","4","1","","Kumar, Roopender; Linden, Anthony; Nevado, Cristina","Evidence for Direct Transmetalation of Au<sup>III</sup>-F with Boronic Acids.","Journal of the American Chemical Society","2016","138","42","13790","13793","10.1021/jacs.6b07763","","x-ray","0.71073","MoKα","","0.0996","0.0608","","","0.1307","0.1529","","","","","","1.025","","","","has coordinates,has disorder","241240","2020-10-21","18:00:00",""
"4130883","21.1376","0.0003","16.4885","0.0002","7.53055","0.00008","90","","90","","90","","2624.6","0.06","160","2","160","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C24 H15 Au F11 N O3 -","- C24 H9 Au F11 N -","- C96 H36 Au4 F44 N4 -","4","1","","Kumar, Roopender; Linden, Anthony; Nevado, Cristina","Evidence for Direct Transmetalation of Au<sup>III</sup>-F with Boronic Acids.","Journal of the American Chemical Society","2016","138","42","13790","13793","10.1021/jacs.6b07763","","","0.71073","MoKα","","0.0307","0.0252","","","0.0561","0.0581","","","","","","1.065","","","","has coordinates","241241","2020-10-21","18:00:00",""
"4130884","9.0882","0.0001","9.6379","0.0001","13.1489","0.0002","76.8345","0.0008","74.7697","0.0009","64.6373","0.0009","995.36","0.02","160","2","160","2","","","","","","","","6","P -1","-P 1","2","","","","- C20 H12 Au Br F7 N -","- C20 H12 Au Br F7 N -","- C40 H24 Au2 Br2 F14 N2 -","2","1","","Kumar, Roopender; Linden, Anthony; Nevado, Cristina","Evidence for Direct Transmetalation of Au<sup>III</sup>-F with Boronic Acids.","Journal of the American Chemical Society","2016","138","42","13790","13793","10.1021/jacs.6b07763","","","0.71073","MoKα","","0.0376","0.0331","","","0.0875","0.0896","","","","","","1.068","","","","has coordinates,has disorder","241242","2020-10-21","18:00:00",""
"4130885","7.8063","0.0001","17.0746","0.0003","17.892","0.0003","90","","90","","90","","2384.81","0.07","160","2","160","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C12 H9 Au Cl2 F N -","- C12 H9 Au Cl2 F N -","- C96 H72 Au8 Cl16 F8 N8 -","8","1","","Kumar, Roopender; Linden, Anthony; Nevado, Cristina","Evidence for Direct Transmetalation of Au<sup>III</sup>-F with Boronic Acids.","Journal of the American Chemical Society","2016","138","42","13790","13793","10.1021/jacs.6b07763","","","0.71073","MoKα","","0.0375","0.0257","","","0.0535","0.0582","","","","","","1.075","","","","has coordinates","241243","2020-10-21","18:00:00",""
"4130886","15.4933","0.0003","26.3923","0.0005","4.40199","0.0001","90","","90","","90","","1799.99","0.06","160","2","160","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C20 H12 Au F8 N -","- C20 H12 Au F8 N -","- C80 H48 Au4 F32 N4 -","4","1","","Kumar, Roopender; Linden, Anthony; Nevado, Cristina","Evidence for Direct Transmetalation of Au<sup>III</sup>-F with Boronic Acids.","Journal of the American Chemical Society","2016","138","42","13790","13793","10.1021/jacs.6b07763","","","0.71073","MoKα","","0.0388","0.0339","","","0.0735","0.0756","","","","","","1.11","","","","has coordinates","241244","2020-10-21","18:00:00",""
"4130887","7.3719","0.0001","18.1864","0.0002","17.5332","0.0002","90","","93.3304","0.0012","90","","2346.68","0.05","160","2","160","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H14 Au F10 N -","- C26 H14 Au F10 N -","- C104 H56 Au4 F40 N4 -","4","1","","Kumar, Roopender; Linden, Anthony; Nevado, Cristina","Evidence for Direct Transmetalation of Au<sup>III</sup>-F with Boronic Acids.","Journal of the American Chemical Society","2016","138","42","13790","13793","10.1021/jacs.6b07763","","","0.71073","MoKα","","0.0421","0.0379","","","0.0851","0.0869","","","","","","1.193","","","","has coordinates","241245","2020-10-21","18:00:00",""
"4130888","7.4578","0.0001","11.0845","0.0002","19.2172","0.0005","84.5978","0.0018","89.4342","0.0018","87.8411","0.0014","1580.4","0.05","160","2","160","2","","","","","","","","6","P -1","-P 1","2","","","","- C15 H16 Au Cl2 N O3 -","- C15 H16 Au Cl2 N O3 -","- C60 H64 Au4 Cl8 N4 O12 -","4","2","","Kumar, Roopender; Linden, Anthony; Nevado, Cristina","Evidence for Direct Transmetalation of Au<sup>III</sup>-F with Boronic Acids.","Journal of the American Chemical Society","2016","138","42","13790","13793","10.1021/jacs.6b07763","","","0.71073","MoKα","","0.0505","0.0422","","","0.1096","0.1122","","","","","","1.066","","","","has coordinates","241246","2020-10-21","18:00:00",""
"4130889","10.2954","0.0002","9.799","0.0003","17.9311","0.0004","90","","104.827","0.002","90","","1748.74","0.08","160","2","160","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C19 H12 Au F6 N -","- C19 H12 Au F6 N -","- C76 H48 Au4 F24 N4 -","4","1","","Kumar, Roopender; Linden, Anthony; Nevado, Cristina","Evidence for Direct Transmetalation of Au<sup>III</sup>-F with Boronic Acids.","Journal of the American Chemical Society","2016","138","42","13790","13793","10.1021/jacs.6b07763","","","0.71073","MoKα","","0.0373","0.0255","","","0.0495","0.0551","","","","","","1.092","","","","has coordinates,has disorder","241247","2020-10-21","18:00:00",""
"4130890","7.5121","0.0002","18.0598","0.0006","17.0484","0.0005","90","","99.554","0.003","90","","2280.82","0.12","160","2","160","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C13 H12 Au F2 N -","- C13 H12 Au F2 N -","- C104 H96 Au8 F16 N8 -","8","2","","Kumar, Roopender; Linden, Anthony; Nevado, Cristina","Evidence for Direct Transmetalation of Au<sup>III</sup>-F with Boronic Acids.","Journal of the American Chemical Society","2016","138","42","13790","13793","10.1021/jacs.6b07763","","","0.71073","MoKα","","0.0794","0.054","","","0.1224","0.1339","","","","","","1.076","","","","has coordinates","241248","2020-10-21","18:00:00",""
"4130891","37.7343","0.0015","37.7343","0.0015","25.323","0.003","90","","90","","120","","31226","4","122","2","122","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C71 H106 Ge N2 Si2 -","- C71 H106 Ge N2 Si2 -","- C1278 H1908 Ge18 N36 Si36 -","18","1","","Nieder, David; Huch, Volker; Yildiz, Cem B.; Scheschkewitz, David","Regiodiscriminating Reactivity of Isolable NHC-Coordinated Disilenyl Germylene and Its Cyclic Isomer.","Journal of the American Chemical Society","2016","138","42","13996","14005","10.1021/jacs.6b07815","","","0.71073","MoKα","","0.0814","0.0526","","","0.118","0.1275","","","","","","1.078","","","","has coordinates,has disorder","241249","2020-10-21","18:00:00",""
"4130892","15.9617","0.0017","16.6009","0.0018","17.9948","0.0019","114.148","0.005","112.883","0.005","96.575","0.005","3790.4","0.8","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C83 H117 Ge N2 Si2 -","- C83 H117 Ge N2 Si2 -","- C166 H234 Ge2 N4 Si4 -","2","1","","Nieder, David; Huch, Volker; Yildiz, Cem B.; Scheschkewitz, David","Regiodiscriminating Reactivity of Isolable NHC-Coordinated Disilenyl Germylene and Its Cyclic Isomer.","Journal of the American Chemical Society","2016","138","42","13996","14005","10.1021/jacs.6b07815","","","0.71073","MoKα","","0.0672","0.0493","","","0.1414","0.1525","","","","","","1.042","","","","has coordinates,has disorder","241249","2020-10-21","18:00:00",""
"4130893","11.4319","0.0005","14.6466","0.0005","21.5014","0.0009","100.512","0.001","92.045","0.001","95.265","0.001","3519.7","0.2","163","2","163","2","","","","","","","","5","P -1","-P 1","2","","","","- C77 H108 Ge N2 Si2 -","- C77 H108 Ge N2 Si2 -","- C154 H216 Ge2 N4 Si4 -","2","1","","Nieder, David; Huch, Volker; Yildiz, Cem B.; Scheschkewitz, David","Regiodiscriminating Reactivity of Isolable NHC-Coordinated Disilenyl Germylene and Its Cyclic Isomer.","Journal of the American Chemical Society","2016","138","42","13996","14005","10.1021/jacs.6b07815","","","0.71073","MoKα","","0.0533","0.0385","","","0.0941","0.1015","","","","","","1.028","","","","has coordinates,has disorder","241249","2020-10-21","18:00:00",""
"4130894","12.6352","0.0003","23.8472","0.0006","25.5287","0.0007","90","","101.535","0.001","90","","7536.8","0.3","143","2","143","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C76.25 H115 Ge N2 Si2 -","- C76.25 H112 Ge N2 Si2 -","- C305 H448 Ge4 N8 Si8 -","4","1","","Nieder, David; Huch, Volker; Yildiz, Cem B.; Scheschkewitz, David","Regiodiscriminating Reactivity of Isolable NHC-Coordinated Disilenyl Germylene and Its Cyclic Isomer.","Journal of the American Chemical Society","2016","138","42","13996","14005","10.1021/jacs.6b07815","","","0.71073","MoKα","","0.0789","0.0571","","","0.1648","0.1777","","","","","","1.107","","","","has coordinates,has disorder","241249","2020-10-21","18:00:00",""
"4130895","12.7844","0.0008","22.7467","0.0013","23.418","0.0011","90","","94.49","0.003","90","","6789.1","0.7","143","2","143","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C74.5 H107 Ge N3 Si2 -","- C74.5 H107 Ge N3 Si2 -","- C298 H428 Ge4 N12 Si8 -","4","1","","Nieder, David; Huch, Volker; Yildiz, Cem B.; Scheschkewitz, David","Regiodiscriminating Reactivity of Isolable NHC-Coordinated Disilenyl Germylene and Its Cyclic Isomer.","Journal of the American Chemical Society","2016","138","42","13996","14005","10.1021/jacs.6b07815","","","0.71073","MoKα","","0.1008","0.0523","","","0.096","0.1096","","","","","","1.01","","","","has coordinates,has disorder","241249","2020-10-21","18:00:00",""
"4130896","13.255","0.0005","25.4218","0.0008","23.768","0.0008","90","","101.111","0.002","90","","7858.9","0.5","152","2","152","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C81 H127 Ge N3 Si2 -","- C81.5 H127.35 Ge N3 Si2 -","- C326 H509.4 Ge4 N12 Si8 -","4","1","","Nieder, David; Huch, Volker; Yildiz, Cem B.; Scheschkewitz, David","Regiodiscriminating Reactivity of Isolable NHC-Coordinated Disilenyl Germylene and Its Cyclic Isomer.","Journal of the American Chemical Society","2016","138","42","13996","14005","10.1021/jacs.6b07815","","","0.71073","MoKα","","0.0723","0.0523","","","0.1323","0.143","","","","","","1.042","","","","has coordinates,has disorder","241249","2020-10-21","18:00:00",""
"4130897","28.178","0.008","28.178","0.008","8.7335","0.0018","90","","90","","90","","6934","3","80","2","80","2","","","","","","","","5","I -4","I -4","82","","","","- C146 H112 Cl18 N8 O8 -","- C146 H112 Cl18 N8 O8 -","- C292 H224 Cl36 N16 O16 -","2","0.25","","Zhylitskaya, Halina; Cybińska, Joanna; Chmielewski, Piotr; Lis, Tadeusz; Stępień, Marcin","Bandgap Engineering in π-Extended Pyrroles. A Modular Approach to Electron-Deficient Chromophores with Multi-Redox Activity.","Journal of the American Chemical Society","2016","138","35","11390","11398","10.1021/jacs.6b07826","","","0.71073","MoKα","","0.1072","0.0746","","","0.1733","0.1941","","","","","","1.047","","","","has coordinates,has disorder","241250","2020-10-21","18:00:00",""
"4130898","7.2916","0.0015","8.7529","0.0016","9.7443","0.0017","88.49","0.04","69.51","0.05","67.04","0.05","532","0.4","80","2","80","2","","","","","","","","4","P -1","-P 1","2","","","","- C16 H7 N O3 -","- C16 H7 N O3 -","- C32 H14 N2 O6 -","2","1","","Zhylitskaya, Halina; Cybińska, Joanna; Chmielewski, Piotr; Lis, Tadeusz; Stępień, Marcin","Bandgap Engineering in π-Extended Pyrroles. A Modular Approach to Electron-Deficient Chromophores with Multi-Redox Activity.","Journal of the American Chemical Society","2016","138","35","11390","11398","10.1021/jacs.6b07826","","","0.71073","MoKα","","0.1073","0.0675","","","0.1526","0.182","","","","","","1.048","","","","has coordinates","241251","2020-10-21","18:00:00",""
"4130899","29.19","0.01","28.114","0.009","42.68","0.03","90","","102.19","0.05","90","","34236","3","80","2","80","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C176.75 H189 Cl4.5 N8 O8 Zn -","- C176.75 H189 Cl4.5 N8 O8 Zn -","- C1414 H1512 Cl36 N64 O64 Zn8 -","8","1","","Zhylitskaya, Halina; Cybińska, Joanna; Chmielewski, Piotr; Lis, Tadeusz; Stępień, Marcin","Bandgap Engineering in π-Extended Pyrroles. A Modular Approach to Electron-Deficient Chromophores with Multi-Redox Activity.","Journal of the American Chemical Society","2016","138","35","11390","11398","10.1021/jacs.6b07826","","","0.71073","MoKα","","0.3707","0.167","","","0.3408","0.4336","","","","","","1.175","","","","has coordinates,has disorder","241252","2020-10-21","18:00:00",""
"4130900","7.1366","0.0018","12.004","0.003","11.688","0.003","90","","102.43","0.02","90","","977.8","0.4","80","2","80","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C21 H21 Cl2 N3 O2 -","- C21 H21 Cl2 N3 O2 -","- C42 H42 Cl4 N6 O4 -","2","1","","Zhylitskaya, Halina; Cybińska, Joanna; Chmielewski, Piotr; Lis, Tadeusz; Stępień, Marcin","Bandgap Engineering in π-Extended Pyrroles. A Modular Approach to Electron-Deficient Chromophores with Multi-Redox Activity.","Journal of the American Chemical Society","2016","138","35","11390","11398","10.1021/jacs.6b07826","","","0.71073","MoKα","","0.0376","0.0348","","","0.0844","0.0863","","","","","","1.047","","","","has coordinates","241254","2020-10-21","18:00:00",""
"4130901","7.2467","0.0003","12.0275","0.0004","9.5303","0.0004","90","","109.102","0.0019","90","","784.92","0.05","103","2","103","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C18 H12 Br F2 N O2 -","- C18 H12 Br F2 N O2 -","- C36 H24 Br2 F4 N2 O4 -","2","1","","Huang, Yinhua; Hayashi, Tamio","Rhodium-Catalyzed Asymmetric Arylation/Defluorination of 1-(Trifluoromethyl)alkenes Forming Enantioenriched 1,1-Difluoroalkenes.","Journal of the American Chemical Society","2016","138","38","12340","12343","10.1021/jacs.6b07844","","","0.71073","MoKα","","0.0576","0.0353","","","0.0633","0.0701","","","","","","0.905","","","","has coordinates","241255","2020-10-21","18:00:00",""
"4130902","14.2971","0.0006","31.786","0.0015","13.0756","0.0006","90","","94.512","0.003","90","","5923.8","0.5","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C108 H156 K2 O16 Si2 -","- C108 H156 K2 O16 Si2 -","- C216 H312 K4 O32 Si4 -","2","0.5","","Rudebusch, Gabriel E.; Espejo, Guzmán L; Zafra, José L; Peña-Alvarez, Miriam; Spisak, Sarah N.; Fukuda, Kotaro; Wei, Zheng; Nakano, Masayoshi; Petrukhina, Marina A.; Casado, Juan; Haley, Michael M.","A Biradical Balancing Act: Redox Amphoterism in a Diindenoanthracene Derivative Results from Quinoidal Acceptor and Aromatic Donor Motifs.","Journal of the American Chemical Society","2016","138","38","12648","12654","10.1021/jacs.6b07882","","","1.54178","CuKα","","0.101","0.0759","","","0.1838","0.199","","","","","","1.089","","","","has coordinates,has disorder","241256","2020-10-21","18:00:00",""
"4130903","9.169","0.0004","15.4719","0.0007","17.6353","0.0007","66.24","0.002","84.584","0.001","81.803","0.002","2264.45","0.17","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C88 H120 K2 O8 Si2 -","- C88 H120 K2 O8 Si2 -","- C88 H120 K2 O8 Si2 -","1","0.5","","Rudebusch, Gabriel E.; Espejo, Guzmán L; Zafra, José L; Peña-Alvarez, Miriam; Spisak, Sarah N.; Fukuda, Kotaro; Wei, Zheng; Nakano, Masayoshi; Petrukhina, Marina A.; Casado, Juan; Haley, Michael M.","A Biradical Balancing Act: Redox Amphoterism in a Diindenoanthracene Derivative Results from Quinoidal Acceptor and Aromatic Donor Motifs.","Journal of the American Chemical Society","2016","138","38","12648","12654","10.1021/jacs.6b07882","","","1.54178","CuKα","","0.0808","0.061","","","0.1927","0.2048","","","","","","1.099","","","","has coordinates,has disorder","241257","2020-10-21","18:00:00",""
"4130904","11.5995","0.0003","12.1738","0.0003","17.0652","0.0004","78.478","0.002","82.51","0.002","72.257","0.001","2242.66","0.1","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C88 H116 K O8 Si2 -","- C88 H116 K O8 Si2 -","- C88 H116 K O8 Si2 -","1","0.5","","Rudebusch, Gabriel E.; Espejo, Guzmán L; Zafra, José L; Peña-Alvarez, Miriam; Spisak, Sarah N.; Fukuda, Kotaro; Wei, Zheng; Nakano, Masayoshi; Petrukhina, Marina A.; Casado, Juan; Haley, Michael M.","A Biradical Balancing Act: Redox Amphoterism in a Diindenoanthracene Derivative Results from Quinoidal Acceptor and Aromatic Donor Motifs.","Journal of the American Chemical Society","2016","138","38","12648","12654","10.1021/jacs.6b07882","","","1.54178","CuKα","","0.0861","0.0621","","","0.1639","0.1774","","","","","","1.082","","","","has coordinates,has disorder","241258","2020-10-21","18:00:00",""
"4130905","13.8288","0.0005","8.7441","0.0003","17.122","0.0006","90","","111.064","0.002","90","","1932.05","0.12","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H15 B F5 N -","- C24 H15 B F5 N -","- C96 H60 B4 F20 N4 -","4","1","","Yang, Deng-Tao; Mellerup, Soren K.; Peng, Jin-Bao; Wang, Xiang; Li, Quan-Song; Wang, Suning","Substituent Directed Phototransformations of BN-Heterocycles: Elimination vs Isomerization via Selective B-C Bond Cleavage.","Journal of the American Chemical Society","2016","138","36","11513","11516","10.1021/jacs.6b07899","","","0.71073","MoKα","","0.0792","0.0462","","","0.1081","0.1274","","","","","","1.04","","","","has coordinates","241259","2020-10-21","18:00:00",""
"4130906","9.7376","0.0003","16.5554","0.0005","12.6822","0.0004","90","","101.085","0.002","90","","2006.35","0.11","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H10 B F10 N -","- C24 H10 B F10 N -","- C96 H40 B4 F40 N4 -","4","1","","Yang, Deng-Tao; Mellerup, Soren K.; Peng, Jin-Bao; Wang, Xiang; Li, Quan-Song; Wang, Suning","Substituent Directed Phototransformations of BN-Heterocycles: Elimination vs Isomerization via Selective B-C Bond Cleavage.","Journal of the American Chemical Society","2016","138","36","11513","11516","10.1021/jacs.6b07899","","","0.71073","MoKα","","0.0481","0.0367","","","0.0898","0.098","","","","","","1.031","","","","has coordinates","241260","2020-10-21","18:00:00",""
"4130907","8.8041","0.0002","16.8557","0.0003","20.7579","0.0004","78.709","0.001","79.587","0.001","82.468","0.001","2956.43","0.1","180","2","180","2","","","","","","","","5","P -1","-P 1","2","","","","- C60 H28 B2 F36 N2 -","- C60 H28 B2 F36 N2 -","- C120 H56 B4 F72 N4 -","2","1","","Yang, Deng-Tao; Mellerup, Soren K.; Peng, Jin-Bao; Wang, Xiang; Li, Quan-Song; Wang, Suning","Substituent Directed Phototransformations of BN-Heterocycles: Elimination vs Isomerization via Selective B-C Bond Cleavage.","Journal of the American Chemical Society","2016","138","36","11513","11516","10.1021/jacs.6b07899","","","0.71073","MoKα","","0.0967","0.0437","","","0.0932","0.1088","","","","","","0.929","","","","has coordinates,has disorder","241261","2020-10-21","18:00:00",""
"4130908","31.316","0.004","8.2742","0.0012","16.832","0.002","90","","90","","90","","4361.4","1","180","2","180","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C27 H32 B N -","- C27 H32 B N -","- C216 H256 B8 N8 -","8","1","","Yang, Deng-Tao; Mellerup, Soren K.; Peng, Jin-Bao; Wang, Xiang; Li, Quan-Song; Wang, Suning","Substituent Directed Phototransformations of BN-Heterocycles: Elimination vs Isomerization via Selective B-C Bond Cleavage.","Journal of the American Chemical Society","2016","138","36","11513","11516","10.1021/jacs.6b07899","","","0.71073","MoKα","","0.1111","0.0513","","","0.1045","0.1276","","","","","","1.007","","","","has coordinates","241262","2020-10-21","18:00:00",""
"4130909","11.275","0.0004","18.5252","0.0006","17.7958","0.0006","90","","98.066","0.002","90","","3680.3","0.2","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C42 H56 B N -","- C42 H56 B N -","- C168 H224 B4 N4 -","4","1","","Yang, Deng-Tao; Mellerup, Soren K.; Peng, Jin-Bao; Wang, Xiang; Li, Quan-Song; Wang, Suning","Substituent Directed Phototransformations of BN-Heterocycles: Elimination vs Isomerization via Selective B-C Bond Cleavage.","Journal of the American Chemical Society","2016","138","36","11513","11516","10.1021/jacs.6b07899","","","0.71073","MoKα","","0.0936","0.0509","","","0.1057","0.1237","","","","","","1.026","","","","has coordinates","241263","2020-10-21","18:00:00",""
"4130910","12.4542","0.0005","15.7598","0.0006","9.765","0.0004","90","","107.055","0.002","90","","1832.35","0.13","180","2","180","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H20 B N -","- C24 H20 B N -","- C96 H80 B4 N4 -","4","1","","Yang, Deng-Tao; Mellerup, Soren K.; Peng, Jin-Bao; Wang, Xiang; Li, Quan-Song; Wang, Suning","Substituent Directed Phototransformations of BN-Heterocycles: Elimination vs Isomerization via Selective B-C Bond Cleavage.","Journal of the American Chemical Society","2016","138","36","11513","11516","10.1021/jacs.6b07899","","","0.71073","MoKα","","0.0501","0.0405","","","0.1012","0.1094","","","","","","1.047","","","","has coordinates","241264","2020-10-21","18:00:00",""
"4130911","10.8184","0.0006","11.8123","0.0006","12.9256","0.0006","76.622","0.003","67.526","0.003","70.094","0.003","1425.35","0.13","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H14 B F18 N -","- C30 H14 B F18 N -","- C60 H28 B2 F36 N2 -","2","1","","Yang, Deng-Tao; Mellerup, Soren K.; Peng, Jin-Bao; Wang, Xiang; Li, Quan-Song; Wang, Suning","Substituent Directed Phototransformations of BN-Heterocycles: Elimination vs Isomerization via Selective B-C Bond Cleavage.","Journal of the American Chemical Society","2016","138","36","11513","11516","10.1021/jacs.6b07899","","","0.71073","MoKα","","0.0546","0.0393","","","0.0972","0.107","","","","","","1.041","","","","has coordinates,has disorder","241265","2020-10-21","18:00:00",""
"4130912","13.81","0.02","13.81","0.02","18.33","0.03","90","","90","","120","","3027","8","174","2","174","2","","","","","","","","7","P 63/m m c","-P 6c 2c","194","","","","- C30 H18 Cl2 In3 N9 O17 Zn2 -","- C30 H18 Cl1.698 In3 N9 O17.302 Zn2 -","- C60 H36 Cl3.396 In6 N18 O34.604 Zn4 -","2","0.0833333","","Zhao, Xiang; Bu, Xianhui; Nguyen, Edward T.; Zhai, Quan-Guo; Mao, Chengyu; Feng, Pingyun","Multivariable Modular Design of Pore Space Partition.","Journal of the American Chemical Society","2016","138","46","15102","15105","10.1021/jacs.6b07901","","","0.71073","MoKα","","0.0873","0.0536","","","0.1391","0.1568","","","","","","1.05","","","","has coordinates","241266","2020-10-21","18:00:00",""
"4130913","13.8618","0.0013","13.8618","0.0013","18.5079","0.0019","90","","90","","120","","3079.8","0.5","174","2","174","2","","","","","","","","7","P 63/m m c","-P 6c 2c","194","","","","- C30 H18 Cl2 In3 N9 Ni2 O17 -","- C30 H18 Cl2.538 In3 N9 Ni2 O16.462 -","- C60 H36 Cl5.076 In6 N18 Ni4 O32.924 -","2","0.0833333","","Zhao, Xiang; Bu, Xianhui; Nguyen, Edward T.; Zhai, Quan-Guo; Mao, Chengyu; Feng, Pingyun","Multivariable Modular Design of Pore Space Partition.","Journal of the American Chemical Society","2016","138","46","15102","15105","10.1021/jacs.6b07901","","","0.71073","MoKα","","0.0577","0.0372","","","0.0926","0.0983","","","","","","1.104","","","","has coordinates","241266","2020-10-21","18:00:00",""
"4130914","13.857","0.007","13.857","0.007","17.925","0.009","90","","90","","120","","2981","3","174","2","174","2","","","","","","","","6","P 63/m m c","-P 6c 2c","194","","","","- C30 H18 Fe4 Mg N9 O19 -","- C30 H18 Fe3.94 Mg1.06 N9 O19 -","- C60 H36 Fe7.88 Mg2.12 N18 O38 -","2","0.0833333","","Zhao, Xiang; Bu, Xianhui; Nguyen, Edward T.; Zhai, Quan-Guo; Mao, Chengyu; Feng, Pingyun","Multivariable Modular Design of Pore Space Partition.","Journal of the American Chemical Society","2016","138","46","15102","15105","10.1021/jacs.6b07901","","","0.71073","MoKα","","0.1848","0.1072","","","0.273","0.316","","","","","","1.036","","","","has coordinates","241266","2020-10-21","18:00:00",""
"4130915","13.873","0.004","13.873","0.004","18.455","0.007","90","","90","","120","","3076","1.7","174","2","174","2","","","","","","","","6","P 63/m m c","-P 6c 2c","194","","","","- C30 H18 Cl3 In5 N9 O16 -","- C30 H18 Cl2.82 In5 N9 O16.18 -","- C60 H36 Cl5.64 In10 N18 O32.36 -","2","0.0833333","","Zhao, Xiang; Bu, Xianhui; Nguyen, Edward T.; Zhai, Quan-Guo; Mao, Chengyu; Feng, Pingyun","Multivariable Modular Design of Pore Space Partition.","Journal of the American Chemical Society","2016","138","46","15102","15105","10.1021/jacs.6b07901","","","0.71073","MoKα","","0.1254","0.1001","","","0.3114","0.3381","","","","","","1.332","","","","has coordinates","241266","2020-10-21","18:00:00",""
"4130916","14.0529","0.001","14.0529","0.001","18.4071","0.0013","90","","90","","120","","3148.1","0.4","174","2","174","2","","","","","","","","7","P 63/m m c","-P 6c 2c","194","","","","- C30 H18 Cl3 In3 Mn2 N9 O16 -","- C30 H18 Cl3.06 In3 Mn2 N9 O15.94 -","- C60 H36 Cl6.12 In6 Mn4 N18 O31.88 -","2","0.0833333","","Zhao, Xiang; Bu, Xianhui; Nguyen, Edward T.; Zhai, Quan-Guo; Mao, Chengyu; Feng, Pingyun","Multivariable Modular Design of Pore Space Partition.","Journal of the American Chemical Society","2016","138","46","15102","15105","10.1021/jacs.6b07901","","","0.71073","MoKα","","0.0564","0.0456","","","0.1552","0.1622","","","","","","1.228","","","","has coordinates","241266","2020-10-21","18:00:00",""
"4130917","13.905","0.0006","13.905","0.0006","18.4663","0.0008","90","","90","","120","","3092.1","0.2","174","2","174","2","","","","","","","","7","P 63/m m c","-P 6c 2c","194","","","","- C30 H18 Cl2 Co2 In3 N9 O17 -","- C30 H18 Cl2.04 Co2 In3 N9 O16.96 -","- C60 H36 Cl4.08 Co4 In6 N18 O33.92 -","2","0.0833333","","Zhao, Xiang; Bu, Xianhui; Nguyen, Edward T.; Zhai, Quan-Guo; Mao, Chengyu; Feng, Pingyun","Multivariable Modular Design of Pore Space Partition.","Journal of the American Chemical Society","2016","138","46","15102","15105","10.1021/jacs.6b07901","","","0.71073","MoKα","","0.0347","0.029","","","0.0756","0.0791","","","","","","1.181","","","","has coordinates","241266","2020-10-21","18:00:00",""
"4130918","13.9818","0.0002","13.9818","0.0002","18.3209","0.0003","90","","90","","120","","3101.73","0.08","174","2","174","2","","","","","","","","7","P 63/m m c","-P 6c 2c","194","","","","- C30 H18 Cl3 Co2 In3 N12 O16 -","- C30 H18 Cl3.24 Co2 In3 N12 O15.76 -","- C60 H36 Cl6.48 Co4 In6 N24 O31.52 -","2","0.0833333","","Zhao, Xiang; Bu, Xianhui; Nguyen, Edward T.; Zhai, Quan-Guo; Mao, Chengyu; Feng, Pingyun","Multivariable Modular Design of Pore Space Partition.","Journal of the American Chemical Society","2016","138","46","15102","15105","10.1021/jacs.6b07901","","","0.71073","MoKα","","0.0615","0.0498","","","0.1489","0.1539","","","","","","1.192","","","","has coordinates","241266","2020-10-21","18:00:00",""
"4130920","14.1065","0.0009","14.1065","0.0009","18.2678","0.0012","90","","90","","120","","3148.2","0.4","174","2","174","2","","","","","","","","7","P 63/m m c","-P 6c 2c","194","","","","- C30 H24 Cl2 Co2 In3 N15 O17 -","- C30 H24 Cl2.4 Co2 In3 N15 O16.6 -","- C60 H48 Cl4.8 Co4 In6 N30 O33.2 -","2","0.0833333","","Zhao, Xiang; Bu, Xianhui; Nguyen, Edward T.; Zhai, Quan-Guo; Mao, Chengyu; Feng, Pingyun","Multivariable Modular Design of Pore Space Partition.","Journal of the American Chemical Society","2016","138","46","15102","15105","10.1021/jacs.6b07901","","","0.71073","MoKα","","0.0529","0.0424","","","0.1273","0.1327","","","","","","1.112","","","","has coordinates","241266","2020-10-21","18:00:00",""
"4130921","13.893","0.005","13.893","0.005","18.368","0.007","90","","90","","120","","3070","2","174","2","174","2","","","","","","","","7","P 63/m m c","-P 6c 2c","194","","","","- C30 H16 Cl2 Co2 In3 N9 O20 -","- C30 H6 Cl2.1 Co2 In3 N9 O19.9 -","- C60 H12 Cl4.2 Co4 In6 N18 O39.8 -","2","0.0833333","","Zhao, Xiang; Bu, Xianhui; Nguyen, Edward T.; Zhai, Quan-Guo; Mao, Chengyu; Feng, Pingyun","Multivariable Modular Design of Pore Space Partition.","Journal of the American Chemical Society","2016","138","46","15102","15105","10.1021/jacs.6b07901","","","0.71073","MoKα","","0.0855","0.0622","","","0.185","0.1946","","","","","","1.169","","","","has coordinates","241266","2020-10-21","18:00:00",""
"4130922","13.9738","0.0019","13.9738","0.0019","18.373","0.003","90","","90","","120","","3107","0.8","174","2","174","2","","","","","","","","7","P 63/m m c","-P 6c 2c","194","","","","- C30 H6 Cl2 Co2 In3 N12 O20 -","- C30 H6 Cl2.58 Co2 In3 N12 O19.42 -","- C60 H12 Cl5.16 Co4 In6 N24 O38.84 -","2","0.0833333","","Zhao, Xiang; Bu, Xianhui; Nguyen, Edward T.; Zhai, Quan-Guo; Mao, Chengyu; Feng, Pingyun","Multivariable Modular Design of Pore Space Partition.","Journal of the American Chemical Society","2016","138","46","15102","15105","10.1021/jacs.6b07901","","","0.71073","MoKα","","0.0752","0.0501","","","0.1384","0.1475","","","","","","1.129","","","","has coordinates","241266","2020-10-21","18:00:00",""
"4130923","13.804","0.003","13.804","0.003","18.435","0.003","90","","90","","120","","3042.2","1.1","174","2","174","2","","","","","","","","7","P 63/m m c","-P 6c 2c","194","","","","- C30 H6 Cl2 Co2 In3 N9 O23 -","- C30 H6 Cl1.02 Co2 In3 N9 O23.98 -","- C60 H12 Cl2.04 Co4 In6 N18 O47.96 -","2","0.0833333","","Zhao, Xiang; Bu, Xianhui; Nguyen, Edward T.; Zhai, Quan-Guo; Mao, Chengyu; Feng, Pingyun","Multivariable Modular Design of Pore Space Partition.","Journal of the American Chemical Society","2016","138","46","15102","15105","10.1021/jacs.6b07901","","","0.71073","MoKα","","0.0675","0.0562","","","0.169","0.1772","","","","","","1.117","","","","has coordinates","241266","2020-10-21","18:00:00",""
"4130924","13.8392","0.001","13.8392","0.001","23.269","0.0018","90","","90","","120","","3859.5","0.5","174","2","174","2","","","","","","","","7","P -3 1 c","-P 3 2c","163","","","","- C42 H6 Cl4 Co2 In3 N9 O16 -","- C42 H6 Cl4.06 Co2 In3 N9 O15.94 -","- C84 H12 Cl8.12 Co4 In6 N18 O31.88 -","2","0.166667","","Zhao, Xiang; Bu, Xianhui; Nguyen, Edward T.; Zhai, Quan-Guo; Mao, Chengyu; Feng, Pingyun","Multivariable Modular Design of Pore Space Partition.","Journal of the American Chemical Society","2016","138","46","15102","15105","10.1021/jacs.6b07901","","","0.71073","MoKα","","0.0875","0.0545","","","0.1707","0.1826","","","","","","1.162","","","","has coordinates,has disorder","241266","2020-10-21","18:00:00",""
"4130925","15.727","0.003","15.727","0.003","16.957","0.004","90","","90","","120","","3632.2","1.3","174","2","174","2","","","","","","","","6","P 63/m m c","-P 6c 2c","194","","","","- C30 H18 Ag3 In3 N9 O13 -","- C30 H18 Ag3 In3 N9 O13 -","- C60 H36 Ag6 In6 N18 O26 -","2","0.0833333","","Zhao, Xiang; Bu, Xianhui; Nguyen, Edward T.; Zhai, Quan-Guo; Mao, Chengyu; Feng, Pingyun","Multivariable Modular Design of Pore Space Partition.","Journal of the American Chemical Society","2016","138","46","15102","15105","10.1021/jacs.6b07901","","","0.71073","MoKα","","0.0575","0.0441","","","0.1314","0.1387","","","","","","1.158","","","","has coordinates","241266","2020-10-21","18:00:00",""
"4130926","15.7672","0.0007","15.7672","0.0007","16.6814","0.0008","90","","90","","120","","3591.5","0.3","174","2","174","2","","","","","","","","6","P 63/m m c","-P 6c 2c","194","","","","- C30 H6 Cu3 Fe3 N9 O20 -","- C30 H6 Cu3 Fe3 N9 O20 -","- C60 H12 Cu6 Fe6 N18 O40 -","2","0.0833333","","Zhao, Xiang; Bu, Xianhui; Nguyen, Edward T.; Zhai, Quan-Guo; Mao, Chengyu; Feng, Pingyun","Multivariable Modular Design of Pore Space Partition.","Journal of the American Chemical Society","2016","138","46","15102","15105","10.1021/jacs.6b07901","","","0.71073","MoKα","","0.1328","0.1196","","","0.3559","0.3647","","","","","","2.997","","","","has coordinates","241266","2020-10-21","18:00:00",""
"4130927","13.636","0.001","13.636","0.001","14.9222","0.0013","90","","90","","120","","2402.9","0.3","174","2","174","2","","","","","","","","6","P -6 2 c","P -6c -2c","190","","","","- C21 H9 Ag In3 N3 O16 -","- C21 H9 Ag In3 N3 O16 -","- C42 H18 Ag2 In6 N6 O32 -","2","0.166667","","Zhao, Xiang; Bu, Xianhui; Nguyen, Edward T.; Zhai, Quan-Guo; Mao, Chengyu; Feng, Pingyun","Multivariable Modular Design of Pore Space Partition.","Journal of the American Chemical Society","2016","138","46","15102","15105","10.1021/jacs.6b07901","","","0.71073","MoKα","","0.0436","0.0404","","","0.1209","0.1248","","","","","","1.195","","","","has coordinates","241266","2020-10-21","18:00:00",""
"4130928","13.1696","0.0012","13.1696","0.0012","14.7973","0.0017","90","","90","","120","","2222.6","0.4","174","2","174","2","","","","","","","","6","P -6 2 c","P -6c -2c","190","","","","- C21 H9 Cu Mg3 N3 O16 -","- C21 H9 Cu Mg3 N3 O16 -","- C42 H18 Cu2 Mg6 N6 O32 -","2","0.166667","","Zhao, Xiang; Bu, Xianhui; Nguyen, Edward T.; Zhai, Quan-Guo; Mao, Chengyu; Feng, Pingyun","Multivariable Modular Design of Pore Space Partition.","Journal of the American Chemical Society","2016","138","46","15102","15105","10.1021/jacs.6b07901","","","0.71073","MoKα","","0.0592","0.0518","","","0.1504","0.1577","","","","","","1.084","","","","has coordinates","241266","2020-10-21","18:00:00",""
"4130929","11.745","0.003","12.572","0.003","18.886","0.004","85.344","0.004","78.547","0.004","63","0.004","2435.1","1","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C38 H79 Ce Li N4 O5 Si3 -","- C38 H79 Ce Li N4 O5 Si3 -","- C76 H158 Ce2 Li2 N8 O10 Si6 -","2","1","","Damon, Peter L.; Wu, Guang; Kaltsoyannis, Nikolas; Hayton, Trevor W.","Formation of a Ce(IV) Oxo Complex via Inner Sphere Nitrate Reduction.","Journal of the American Chemical Society","2016","138","39","12743","12746","10.1021/jacs.6b07932","","","0.71073","MoKα","","0.0517","0.0362","","","0.096","0.1105","","","","","","0.784","","","","has coordinates","241267","2020-10-21","18:00:00",""
"4130930","37.342","0.011","11.365","0.003","22.312","0.007","90","","99.875","0.008","90","","9329","5","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C71 H154 Ce2 Li2 N10 O14 Si6 -","- C71 H154 Ce2 Li2 N10 O14 Si6 -","- C284 H616 Ce8 Li8 N40 O56 Si24 -","4","0.5","","Damon, Peter L.; Wu, Guang; Kaltsoyannis, Nikolas; Hayton, Trevor W.","Formation of a Ce(IV) Oxo Complex via Inner Sphere Nitrate Reduction.","Journal of the American Chemical Society","2016","138","39","12743","12746","10.1021/jacs.6b07932","","","0.71073","MoKα","","0.1502","0.0671","","","0.1545","0.1971","","","","","","0.959","","","","has coordinates","241267","2020-10-21","18:00:00",""
"4130931","11.8041","0.0008","20.3061","0.0012","17.3715","0.0011","90","","93.916","0.004","90","","4154.1","0.5","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C30 H72 Ce N4 O Si4 -","- C30 H72 Ce N4 O Si4 -","- C120 H288 Ce4 N16 O4 Si16 -","4","1","","Damon, Peter L.; Wu, Guang; Kaltsoyannis, Nikolas; Hayton, Trevor W.","Formation of a Ce(IV) Oxo Complex via Inner Sphere Nitrate Reduction.","Journal of the American Chemical Society","2016","138","39","12743","12746","10.1021/jacs.6b07932","","","0.71073","MoKα","","0.077","0.0501","","","0.1071","0.1172","","","","","","1.019","","","","has coordinates","241267","2020-10-21","18:00:00",""
"4130932","19.0579","0.0002","17.9828","0.0002","19.5453","0.0002","90","","91.7138","0.0009","90","","6695.46","0.12","150","","150","","","","","","","","SYN","7","P 1 21/n 1","-P 2yn","14","","ENDO-D4-2","","- C65 H68 B D4 F24 P2 Rh -","- C65 H68 B D4 F24 P2 Rh -","- C260 H272 B4 D16 F96 P8 Rh4 -","4","1","","Chadwick, F. Mark; Krämer, Tobias; Gutmann, Torsten; Rees, Nicholas H.; Thompson, Amber L.; Edwards, Alison J.; Buntkowsky, Gerd; Macgregor, Stuart A.; Weller, Andrew S.","Selective C-H Activation at a Molecular Rhodium Sigma-Alkane Complex by Solid/Gas Single-Crystal to Single-Crystal H/D Exchange.","Journal of the American Chemical Society","2016","138","40","13369","13378","10.1021/jacs.6b07968","","neutron","0.85","neutron","","0.2699","0.1918","","0.3527","0.1781","0.1631","","","","","","1.2632","","","","has coordinates","241268","2020-10-21","18:00:00",""
"4130933","19.0579","0.0002","17.9828","0.0002","19.5453","0.0002","90","","91.7138","0.0009","90","","6695.46","0.12","150","","150","","","","","","","","SYN","7","P 1 21/n 1","-P 2yn","14","","exoD4-2","","- C65 H68 B D4 F24 P2 Rh -","- C65 H68 B D4 F24 P2 Rh -","- C260 H272 B4 D16 F96 P8 Rh4 -","4","1","","Chadwick, F. Mark; Krämer, Tobias; Gutmann, Torsten; Rees, Nicholas H.; Thompson, Amber L.; Edwards, Alison J.; Buntkowsky, Gerd; Macgregor, Stuart A.; Weller, Andrew S.","Selective C-H Activation at a Molecular Rhodium Sigma-Alkane Complex by Solid/Gas Single-Crystal to Single-Crystal H/D Exchange.","Journal of the American Chemical Society","2016","138","40","13369","13378","10.1021/jacs.6b07968","","neutron","0.85","neutron","","0.2447","0.1676","","0.2549","0.1392","0.1312","","","","","","1.3622","","","","has coordinates","241268","2020-10-21","18:00:00",""
"4130934","19.0579","0.0002","17.9828","0.0002","19.5453","0.0002","90","","91.7138","0.0009","90","","6695.46","0.12","150","","150","","","","","","","","SYN","7","P 1 21/n 1","-P 2yn","14","","D8-2","","- C65 H64 B D8 F24 P2 Rh -","- C65 H64 B D8 F24 P2 Rh -","- C260 H256 B4 D32 F96 P8 Rh4 -","4","1","","Chadwick, F. Mark; Krämer, Tobias; Gutmann, Torsten; Rees, Nicholas H.; Thompson, Amber L.; Edwards, Alison J.; Buntkowsky, Gerd; Macgregor, Stuart A.; Weller, Andrew S.","Selective C-H Activation at a Molecular Rhodium Sigma-Alkane Complex by Solid/Gas Single-Crystal to Single-Crystal H/D Exchange.","Journal of the American Chemical Society","2016","138","40","13369","13378","10.1021/jacs.6b07968","","neutron","0.85","neutron","","0.3062","0.1897","","0.3749","0.1829","0.1544","","","","","","1.4819","","","","has coordinates","241268","2020-10-21","18:00:00",""
"4130935","19.1","0.002","18.289","0.0009","27.926","0.003","90","","134.55","0.02","90","","6952","3","290","","290","","","","","","","","SYN","6","P 1 21/c 1","-P 2ybc","14","","H8-2-290K","","- C65 H72 B F24 P2 Rh -","- C65 H72 B F24 P2 Rh -","- C260 H288 B4 F96 P8 Rh4 -","4","1","","Chadwick, F. Mark; Krämer, Tobias; Gutmann, Torsten; Rees, Nicholas H.; Thompson, Amber L.; Edwards, Alison J.; Buntkowsky, Gerd; Macgregor, Stuart A.; Weller, Andrew S.","Selective C-H Activation at a Molecular Rhodium Sigma-Alkane Complex by Solid/Gas Single-Crystal to Single-Crystal H/D Exchange.","Journal of the American Chemical Society","2016","138","40","13369","13378","10.1021/jacs.6b07968","","","1.5418","CuKα","","0.0776","0.0637","","0.1879","0.1632","0.1876","","","","","","0.8662","","","","has coordinates,has disorder","241268","2020-10-21","18:00:00",""
"4130936","12.8281","0.0007","13.1804","0.0007","19.8019","0.0006","93.895","0.003","91.116","0.003","94.19","0.004","3330.4","0.3","150","","150","","","","","","","","SYN","6","P -1","-P 1","2","","","","- C65 H70 B F24 P2 Rh -","- C65 H70 B F24 P2 Rh -","- C130 H140 B2 F48 P4 Rh2 -","2","1","","Chadwick, F. Mark; Krämer, Tobias; Gutmann, Torsten; Rees, Nicholas H.; Thompson, Amber L.; Edwards, Alison J.; Buntkowsky, Gerd; Macgregor, Stuart A.; Weller, Andrew S.","Selective C-H Activation at a Molecular Rhodium Sigma-Alkane Complex by Solid/Gas Single-Crystal to Single-Crystal H/D Exchange.","Journal of the American Chemical Society","2016","138","40","13369","13378","10.1021/jacs.6b07968","","","1.5418","CuKα","","0.1228","0.1059","","0.2826","0.2648","0.2826","","","","","","0.9951","","","","has coordinates,has disorder","241268","2020-10-21","18:00:00",""
"4130937","12.5207","0.0005","18.3664","0.0009","20.2423","0.001","90","","90","","90","","4654.9","0.4","100","2","100","2","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C51 H34 F3 N2 O3 P Pd S -","- C51 H34 F3 N2 O3 P Pd S -","- C204 H136 F12 N8 O12 P4 Pd4 S4 -","4","1","","Ramírez-López, Pedro; Ros, Abel; Romero-Arenas, Antonio; Iglesias-Sigüenza, Javier; Fernández, Rosario; Lassaletta, José M","Synthesis of IAN-type N,N-Ligands via Dynamic Kinetic Asymmetric Buchwald-Hartwig Amination.","Journal of the American Chemical Society","2016","138","37","12053","12056","10.1021/jacs.6b07972","","","0.56085","AgKα","","0.0523","0.0438","","","0.1185","0.1259","","","","","","0.958","","","","has coordinates","241269","2020-10-21","18:00:00",""
"4130938","9.591","0.0002","9.591","0.0002","43.0251","0.0013","90","","90","","90","","3957.76","0.17","100","2","100","2","","","","","","","","5","P 41 21 2","P 4abw 2nw","92","","","","- C22.5 H17 Br Cl N2 -","- C22.5 H17 Br Cl N2 -","- C180 H136 Br8 Cl8 N16 -","8","1","","Ramírez-López, Pedro; Ros, Abel; Romero-Arenas, Antonio; Iglesias-Sigüenza, Javier; Fernández, Rosario; Lassaletta, José M","Synthesis of IAN-type N,N-Ligands via Dynamic Kinetic Asymmetric Buchwald-Hartwig Amination.","Journal of the American Chemical Society","2016","138","37","12053","12056","10.1021/jacs.6b07972","","","1.54178","CuKα","","0.0294","0.0294","","","0.11","0.11","","","","","","1.021","","","","has coordinates,has disorder","241270","2020-10-21","18:00:00",""
"4130939","11.1433","0.0004","11.3328","0.0004","20.944","0.0007","85.41","0.002","76.594","0.002","63.661","0.002","2304.95","0.15","296","2","296","2","","","","","","","","6","P 1","P 1","1","","","","- C25 H17 Br0.5 N P0.5 Pd0.5 -","- C25 H17 Br0.5 N P0.5 Pd0.5 -","- C100 H68 Br2 N4 P2 Pd2 -","4","4","","Ramírez-López, Pedro; Ros, Abel; Romero-Arenas, Antonio; Iglesias-Sigüenza, Javier; Fernández, Rosario; Lassaletta, José M","Synthesis of IAN-type N,N-Ligands via Dynamic Kinetic Asymmetric Buchwald-Hartwig Amination.","Journal of the American Chemical Society","2016","138","37","12053","12056","10.1021/jacs.6b07972","","","0.71073","MoKα","","0.0729","0.0656","","","0.1747","0.179","","","","","","1.257","","","","has coordinates","241271","2020-10-21","18:00:00",""
"4130940","13.455","0.0005","14.1052","0.0006","23.7803","0.0009","90","","90","","90","","4513.2","0.3","173","2","173","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C51 H38 Cl2 Cu F6 N4 P -","- C51 H38 Cl2 Cu F6 N4 P -","- C204 H152 Cl8 Cu4 F24 N16 P4 -","4","1","","Ramírez-López, Pedro; Ros, Abel; Romero-Arenas, Antonio; Iglesias-Sigüenza, Javier; Fernández, Rosario; Lassaletta, José M","Synthesis of IAN-type N,N-Ligands via Dynamic Kinetic Asymmetric Buchwald-Hartwig Amination.","Journal of the American Chemical Society","2016","138","37","12053","12056","10.1021/jacs.6b07972","","","0.56085","AgKα","","0.0777","0.0643","","","0.1826","0.1906","","","","","","1.376","","","","has coordinates","241272","2020-10-21","18:00:00",""
"4130941","14.2729","0.0005","7.7016","0.0002","12.3179","0.0004","90","","90","","90","","1354.03","0.07","293","2","293","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C7 H18 Cl4 Cu N2 -","- C7 H18 Cl4 Cu N2 -","- C28 H72 Cl16 Cu4 N8 -","4","1","","Su, Lebin; Dong, Jianyu; Liu, Long; Sun, Mengli; Qiu, Renhua; Zhou, Yongbo; Yin, Shuang-Feng","Copper Catalysis for Selective Heterocoupling of Terminal Alkynes.","Journal of the American Chemical Society","2016","138","38","12348","12351","10.1021/jacs.6b07984","","","0.71073","MoKα","","0.0244","0.0225","","","0.0538","0.055","","","","","","1.064","","","","has coordinates","241273","2020-10-21","18:00:00",""
"4130942","21.9618","0.0012","9.3625","0.0005","22.1686","0.0012","90","","108.081","0.0014","90","","4333.2","0.4","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C14 H10 F6 I2 O7 S2 -","- C14 H10 F6 I2 O7 S2 -","- C112 H80 F48 I16 O56 S16 -","8","2","","Izquierdo, Susana; Essafi, Stéphanie; Del Rosal, Iker; Vidossich, Pietro; Pleixats, Roser; Vallribera, Adelina; Ujaque, Gregori; Lledós, Agustí; Shafir, Alexandr","Acid Activation in Phenyliodine Dicarboxylates: Direct Observation, Structures, and Implications.","Journal of the American Chemical Society","2016","138","39","12747","12750","10.1021/jacs.6b07999","","","0.71073","MoKα","","0.0573","0.0399","","","0.0867","0.0941","","","","","","1.015","","","","has coordinates","241274","2020-10-21","18:00:00",""
"4130943","4.1971","0.0002","10.0492","0.0004","14.9871","0.0007","108.6","0.001","93.4806","0.0012","93.8251","0.0012","595.52","0.05","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C10 H7 F4 I O4 -","- C10 H7 F4 I O4 -","- C20 H14 F8 I2 O8 -","2","1","","Izquierdo, Susana; Essafi, Stéphanie; Del Rosal, Iker; Vidossich, Pietro; Pleixats, Roser; Vallribera, Adelina; Ujaque, Gregori; Lledós, Agustí; Shafir, Alexandr","Acid Activation in Phenyliodine Dicarboxylates: Direct Observation, Structures, and Implications.","Journal of the American Chemical Society","2016","138","39","12747","12750","10.1021/jacs.6b07999","","","0.71073","MoKα","","0.0376","0.0358","","","0.0925","0.0935","","","","","","1.139","","","","has coordinates,has disorder","241276","2020-10-21","18:00:00",""
"4130944","5.4807","0.0017","9.086","0.003","14.021","0.004","78.903","0.01","81.424","0.011","89.698","0.01","677.3","0.4","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C10 H9 B F5 I O4 -","- C10 H9 B F5 I O4 -","- C20 H18 B2 F10 I2 O8 -","2","1","","Izquierdo, Susana; Essafi, Stéphanie; Del Rosal, Iker; Vidossich, Pietro; Pleixats, Roser; Vallribera, Adelina; Ujaque, Gregori; Lledós, Agustí; Shafir, Alexandr","Acid Activation in Phenyliodine Dicarboxylates: Direct Observation, Structures, and Implications.","Journal of the American Chemical Society","2016","138","39","12747","12750","10.1021/jacs.6b07999","","","0.71073","MoKα","","0.1269","0.1125","","","0.2796","0.2866","","","","","","1.185","","","","has coordinates","241277","2020-10-21","18:00:00",""
"4130945","4.7135","0.0004","14.0456","0.0013","17.2837","0.0016","90","","97.432","0.003","90","","1134.64","0.18","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C10 H9 F2 I O4 -","- C7.75 H6.75 F2 I O4 -","- C31 H27 F8 I4 O16 -","4","1","","Izquierdo, Susana; Essafi, Stéphanie; Del Rosal, Iker; Vidossich, Pietro; Pleixats, Roser; Vallribera, Adelina; Ujaque, Gregori; Lledós, Agustí; Shafir, Alexandr","Acid Activation in Phenyliodine Dicarboxylates: Direct Observation, Structures, and Implications.","Journal of the American Chemical Society","2016","138","39","12747","12750","10.1021/jacs.6b07999","","","0.71073","MoKα","","0.0265","0.0218","","","0.0498","0.052","","","","","","1.051","","","","has coordinates,has disorder","241278","2020-10-21","18:00:00",""
"4130946","9.655","0.0008","8.3949","0.0006","16.7646","0.0013","90","","94.564","0.002","90","","1354.51","0.18","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C10 H11 B F3 I O4 -","- C10 H11 B F3 I O4 -","- C40 H44 B4 F12 I4 O16 -","4","1","","Izquierdo, Susana; Essafi, Stéphanie; Del Rosal, Iker; Vidossich, Pietro; Pleixats, Roser; Vallribera, Adelina; Ujaque, Gregori; Lledós, Agustí; Shafir, Alexandr","Acid Activation in Phenyliodine Dicarboxylates: Direct Observation, Structures, and Implications.","Journal of the American Chemical Society","2016","138","39","12747","12750","10.1021/jacs.6b07999","","","0.71073","MoKα","","0.0709","0.0417","","","0.0935","0.1071","","","","","","0.995","","","","has coordinates","241279","2020-10-21","18:00:00",""
"4130947","10.4843","0.0019","18.257","0.003","7.1821","0.0014","90","","105.714","0.005","90","","1323.4","0.4","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C9 H8 F3 I O5 S -","- C9 H8 F3 I O5 S -","- C36 H32 F12 I4 O20 S4 -","4","1","","Izquierdo, Susana; Essafi, Stéphanie; Del Rosal, Iker; Vidossich, Pietro; Pleixats, Roser; Vallribera, Adelina; Ujaque, Gregori; Lledós, Agustí; Shafir, Alexandr","Acid Activation in Phenyliodine Dicarboxylates: Direct Observation, Structures, and Implications.","Journal of the American Chemical Society","2016","138","39","12747","12750","10.1021/jacs.6b07999","","","0.71073","MoKα","","0.0415","0.0304","","","0.0685","0.073","","","","","","1.069","","","","has coordinates","241280","2020-10-21","18:00:00",""
"4130948","10.013","0.0005","10.1635","0.0005","27.9932","0.0015","90","","96.198","0.001","90","","2832.1","0.2","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C26 H49 N2 Si2 Ti -","- C26 H49 N2 Si2 Ti -","- C104 H196 N8 Si8 Ti4 -","4","1","","Pappas, Iraklis; Chirik, Paul J.","Catalytic Proton Coupled Electron Transfer from Metal Hydrides to Titanocene Amides, Hydrazides and Imides: Determination of Thermodynamic Parameters Relevant to Nitrogen Fixation.","Journal of the American Chemical Society","2016","138","40","13379","13389","10.1021/jacs.6b08009","","","0.71073","MoKα","","0.0419","0.0367","","","0.0919","0.0967","","","","","","1.048","","","","has coordinates","241281","2020-10-21","18:00:00",""
"4130949","9.354","0.0002","34.1029","0.0009","9.8695","0.0003","90","","112.423","0.001","90","","2910.32","0.13","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C26 H49 Cl N2 Si2 Ti -","- C26 H49 Cl N2 Si2 Ti -","- C104 H196 Cl4 N8 Si8 Ti4 -","4","1","","Pappas, Iraklis; Chirik, Paul J.","Catalytic Proton Coupled Electron Transfer from Metal Hydrides to Titanocene Amides, Hydrazides and Imides: Determination of Thermodynamic Parameters Relevant to Nitrogen Fixation.","Journal of the American Chemical Society","2016","138","40","13379","13389","10.1021/jacs.6b08009","","","1.54178","CuKα","","0.0543","0.0532","","","0.1203","0.1208","","","","","","1.226","","","","has coordinates","241281","2020-10-21","18:00:00",""
"4130950","16.947","0.005","25.011","0.005","18.486","0.005","90","","103.507","0.005","90","","7619","3","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C35 H57 Cr N O3 Si3 Ti -","- C35 H57 Cr N O3 Si3 Ti -","- C280 H456 Cr8 N8 O24 Si24 Ti8 -","8","2","","Pappas, Iraklis; Chirik, Paul J.","Catalytic Proton Coupled Electron Transfer from Metal Hydrides to Titanocene Amides, Hydrazides and Imides: Determination of Thermodynamic Parameters Relevant to Nitrogen Fixation.","Journal of the American Chemical Society","2016","138","40","13379","13389","10.1021/jacs.6b08009","","","1.54185","CuKα","","0.0861","0.0731","","","0.1796","0.1885","","","","","","1.029","","","","has coordinates","251896","2020-10-21","18:00:00",""
"4130951","9.1532","0.0007","12.5803","0.0013","17.0067","0.0012","83.424","0.007","81.854","0.006","87.114","0.007","1924.6","0.3","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C39 H55 Cl Cr O3 Si2 Ti -","- C39 H55 Cl Cr O3 Si2 Ti -","- C78 H110 Cl2 Cr2 O6 Si4 Ti2 -","2","1","","Pappas, Iraklis; Chirik, Paul J.","Catalytic Proton Coupled Electron Transfer from Metal Hydrides to Titanocene Amides, Hydrazides and Imides: Determination of Thermodynamic Parameters Relevant to Nitrogen Fixation.","Journal of the American Chemical Society","2016","138","40","13379","13389","10.1021/jacs.6b08009","","","1.54178","CuKα","","0.0644","0.049","","","0.1232","0.1331","","","","","","1.028","","","","has coordinates","241281","2020-10-21","18:00:00",""
"4130952","11.3506","0.0004","11.4109","0.0004","19.1965","0.0008","90.264","0.002","92.62","0.002","111.119","0.002","2316.33","0.15","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C40 H52 Cr2 O6 Si2 Ti -","- C40 H52 Cr2 O6 Si2 Ti -","- C80 H104 Cr4 O12 Si4 Ti2 -","2","1","","Pappas, Iraklis; Chirik, Paul J.","Catalytic Proton Coupled Electron Transfer from Metal Hydrides to Titanocene Amides, Hydrazides and Imides: Determination of Thermodynamic Parameters Relevant to Nitrogen Fixation.","Journal of the American Chemical Society","2016","138","40","13379","13389","10.1021/jacs.6b08009","","","1.54178","CuKα","","0.1069","0.089","","","0.2353","0.2547","","","","","","1.106","","","","has coordinates,has disorder","241281","2020-10-21","18:00:00",""
"4130953","10.3627","0.0004","12.2002","0.0004","17.5696","0.0006","70.851","0.002","86.046","0.002","65.795","0.001","1908.34","0.12","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C37 H57 Cr O3 Si2 Ti -","- C37 H57 Cr O3 Si2 Ti -","- C74 H114 Cr2 O6 Si4 Ti2 -","2","1","","Pappas, Iraklis; Chirik, Paul J.","Catalytic Proton Coupled Electron Transfer from Metal Hydrides to Titanocene Amides, Hydrazides and Imides: Determination of Thermodynamic Parameters Relevant to Nitrogen Fixation.","Journal of the American Chemical Society","2016","138","40","13379","13389","10.1021/jacs.6b08009","","","0.71073","MoKα","","0.033","0.0295","","","0.0761","0.0786","","","","","","1.058","","","","has coordinates","241281","2020-10-21","18:00:00",""
"4130954","39.623","0.002","12.6771","0.0009","17.4694","0.0015","90","","108.997","0.003","90","","8297","1","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C37 H57 Cl Cr O3 Si2 Zr -","- C37 H57 Cl Cr O3 Si2 Zr -","- C296 H456 Cl8 Cr8 O24 Si16 Zr8 -","8","1","","Pappas, Iraklis; Chirik, Paul J.","Catalytic Proton Coupled Electron Transfer from Metal Hydrides to Titanocene Amides, Hydrazides and Imides: Determination of Thermodynamic Parameters Relevant to Nitrogen Fixation.","Journal of the American Chemical Society","2016","138","40","13379","13389","10.1021/jacs.6b08009","","","0.71073","MoKα","","0.0473","0.0337","","","0.0904","0.0985","","","","","","1.056","","","","has coordinates","241281","2020-10-21","18:00:00",""
"4130955","18.3847","0.0003","18.3847","0.0003","48.568","0.0011","90","","90","","120","","14216.5","0.5","120","2","120","2","","","","","","","","5","R 3 2 :H","R 3 2""","155","","","","- C29 H33 Cu N5 O7 -","- C19 H11 Cu N3 O5 -","- C342 H198 Cu18 N54 O90 -","18","1","","Benson, Oguarabau; da Silva, Ivan; Argent, Stephen P.; Cabot, Rafel; Savage, Mathew; Godfrey, Harry G. W.; Yan, Yong; Parker, Stewart F.; Manuel, Pascal; Lennox, Matthew J.; Mitra, Tamoghna; Easun, Timothy L.; Lewis, William; Blake, Alexander J.; Besley, Elena; Yang, Sihai; Schröder, Martin","Amides Do Not Always Work: Observation of Guest Binding in an Amide-Functionalized Porous Metal-Organic Framework.","Journal of the American Chemical Society","2016","138","45","14828","14831","10.1021/jacs.6b08059","","x-ray","0.71073","MoKα","","0.0342","0.0328","","","0.0969","0.0985","","","","","","1.051","","","","has coordinates,has disorder","241282","2020-10-21","18:00:00",""
"4130956","8.8713","0.0006","9.1631","0.0006","11.2812","0.0009","83.142","0.004","78.687","0.004","71.594","0.004","851.58","0.11","117","2","117","2","","","","","","","","4","P -1","-P 1","2","","","","- C22 H15 N O -","- C22 H15 N O -","- C44 H30 N2 O2 -","2","1","","Pearson, Ryan M.; Lim, Chern-Hooi; McCarthy, Blaine G.; Musgrave, Charles B.; Miyake, Garret M.","Organocatalyzed Atom Transfer Radical Polymerization Using N-Aryl Phenoxazines as Photoredox Catalysts.","Journal of the American Chemical Society","2016","138","35","11399","11407","10.1021/jacs.6b08068","","","0.71073","MoKα","","0.0976","0.0569","","","0.1236","0.1452","","","","","","1.03","","","","has coordinates","241283","2020-10-21","18:00:00",""
"4130957","14.79","0.005","6.904","0.002","17.265","0.006","90","","113.094","0.015","90","","1621.7","0.9","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C22 H15 N S -","- C22 H15 N S -","- C88 H60 N4 S4 -","4","1","","Pearson, Ryan M.; Lim, Chern-Hooi; McCarthy, Blaine G.; Musgrave, Charles B.; Miyake, Garret M.","Organocatalyzed Atom Transfer Radical Polymerization Using N-Aryl Phenoxazines as Photoredox Catalysts.","Journal of the American Chemical Society","2016","138","35","11399","11407","10.1021/jacs.6b08068","","","0.71073","MoKα","","0.0633","0.0422","","","0.1143","0.1254","","","","","","1.045","","","","has coordinates","241284","2020-10-21","18:00:00",""
"4130958","12.668","0.002","13.37","0.002","20.68","0.003","80.951","0.004","88.335","0.004","62.771","0.003","3072","0.8","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C60 H89 K N2 Ni O7 S -","- C60 H80 K N2 Ni O7 S -","- C120 H160 K2 N4 Ni2 O14 S2 -","2","1","","Hartmann, Nathaniel J.; Wu, Guang; Hayton, Trevor W.","Reactivity of a Nickel Sulfide with Carbon Monoxide and Nitric Oxide.","Journal of the American Chemical Society","2016","138","38","12352","12355","10.1021/jacs.6b08084","","","0.71073","MoKα","","0.1378","0.0791","","","0.2006","0.2346","","","","","","1.038","","","","has coordinates","241285","2020-10-21","18:00:00",""
"4130959","16.8321","0.0013","9.37","0.0006","22.5816","0.0018","90","","106.526","0.005","90","","3414.4","0.4","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C35 H53 N3 Ni O -","- C35 H53 N3 Ni O -","- C140 H212 N12 Ni4 O4 -","4","0.5","","Hartmann, Nathaniel J.; Wu, Guang; Hayton, Trevor W.","Reactivity of a Nickel Sulfide with Carbon Monoxide and Nitric Oxide.","Journal of the American Chemical Society","2016","138","38","12352","12355","10.1021/jacs.6b08084","","","0.71073","MoKα","","0.0857","0.0513","","","0.1073","0.1202","","","","","","1.035","","","","has coordinates","241285","2020-10-21","18:00:00",""
"4130960","9.4771","0.0014","14.0478","0.0018","16.771","0.003","90","","98.978","0.004","90","","2205.4","0.6","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C13 H26 Cl2 K N O7 S2 -","- C13 H26 Cl2 K N O7 S2 -","- C52 H104 Cl8 K4 N4 O28 S8 -","4","1","","Hartmann, Nathaniel J.; Wu, Guang; Hayton, Trevor W.","Reactivity of a Nickel Sulfide with Carbon Monoxide and Nitric Oxide.","Journal of the American Chemical Society","2016","138","38","12352","12355","10.1021/jacs.6b08084","","","0.71073","MoKα","","0.0515","0.0343","","","0.0676","0.074","","","","","","1.016","","","","has coordinates","241285","2020-10-21","18:00:00",""
"4130961","8.8855","0.0008","17.9963","0.0017","13.146","0.0012","90","","105.177","0.003","90","","2028.8","0.3","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C21 H19 N O7 S -","- C21 H19 N O7 S -","- C84 H76 N4 O28 S4 -","4","1","","Shen, Tao; Zhang, Yiqun; Liang, Yu-Feng; Jiao, Ning","Direct Tryptophols Synthesis from 2-Vinylanilines and Alkynes via C≡C Triple Bond Cleavage and Dioxygen Activation.","Journal of the American Chemical Society","2016","138","40","13147","13150","10.1021/jacs.6b08094","","","0.71073","MoKα","","0.0661","0.0389","","","0.0845","0.0991","","","","","","1.043","","","","has coordinates","241286","2020-10-21","18:00:00",""
"4130962","11.7697","0.0004","14.8198","0.0005","13.0749","0.0004","90","","107.482","0.001","90","","2175.25","0.12","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C21 H21 N O7 S -","- C21 H21 N O7 S -","- C84 H84 N4 O28 S4 -","4","1","","Shen, Tao; Zhang, Yiqun; Liang, Yu-Feng; Jiao, Ning","Direct Tryptophols Synthesis from 2-Vinylanilines and Alkynes via C≡C Triple Bond Cleavage and Dioxygen Activation.","Journal of the American Chemical Society","2016","138","40","13147","13150","10.1021/jacs.6b08094","","","0.71073","MoKα","","0.0636","0.0429","","","0.1103","0.1239","","","","","","1.034","","","","has coordinates","241287","2020-10-21","18:00:00",""
"4130963","47.8736","0.0015","19.1675","0.0006","16.5421","0.0005","90","","97.306","0.002","90","","15056.1","0.8","100","2","100","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C91.5 H91.5 N0 -","- C91.5 H91.5 -","- C732 H732 -","8","1","","Lu, Xuefeng; Lee, Sangsu; Kim, Jun Oh; Gopalakrishna, Tullimilli Y.; Phan, Hoa; Herng, Tun Seng; Lim, Zhenglong; Zeng, Zebing; Ding, Jun; Kim, Dongho; Wu, Jishan","Stable 3,6-Linked Fluorenyl Radical Oligomers with Intramolecular Antiferromagnetic Coupling and Polyradical Characters.","Journal of the American Chemical Society","2016","138","39","13048","13058","10.1021/jacs.6b08138","","","1.54178","CuKα","","0.1224","0.0998","","","0.272","0.2901","","","","","","1.084","","","","has coordinates,has disorder","241288","2020-10-21","18:00:00",""
"4130964","53.095","0.004","10.224","0.0008","35.66","0.002","90","","109.528","0.007","90","","18244","2","100","2","100","2","","","","","","","","2","C 1 2/c 1","-C 2yc","15","","","","- C102 H96 -","- C102 H96 -","- C816 H768 -","8","1","","Lu, Xuefeng; Lee, Sangsu; Kim, Jun Oh; Gopalakrishna, Tullimilli Y.; Phan, Hoa; Herng, Tun Seng; Lim, Zhenglong; Zeng, Zebing; Ding, Jun; Kim, Dongho; Wu, Jishan","Stable 3,6-Linked Fluorenyl Radical Oligomers with Intramolecular Antiferromagnetic Coupling and Polyradical Characters.","Journal of the American Chemical Society","2016","138","39","13048","13058","10.1021/jacs.6b08138","","","1.54178","CuKα","","0.2116","0.1736","","","0.4337","0.4579","","","","","","1.554","","","","has coordinates","241289","2020-10-21","18:00:00",""
"4130965","33.5416","0.001","7.4594","0.0002","15.8608","0.0005","90","","106.7","0.003","90","","3801","0.2","180","2","180","2","","","","","","","","8","C 1 2/m 1","-C 2y","12","","","","- C30 H46 B2 Cl4 F N O7 S -","- C30 H46 B2 Cl4 F N O7 S -","- C120 H184 B8 Cl16 F4 N4 O28 S4 -","4","0.5","","Davis, Holly J.; Mihai, Madalina T.; Phipps, Robert J.","Ion Pair-Directed Regiocontrol in Transition-Metal Catalysis: A Meta-Selective C-H Borylation of Aromatic Quaternary Ammonium Salts.","Journal of the American Chemical Society","2016","138","39","12759","12762","10.1021/jacs.6b08164","","","1.54178","CuKα","","0.1111","0.0943","","","0.2727","0.2915","","","","","","1.057","","","","has coordinates,has disorder","241290","2020-10-21","18:00:00",""
"4130966","44.856","0.002","44.856","0.002","44.856","0.002","90","","90","","90","","90253","7","100","0.1","100.15","","","","","","","","","4","F d -3 m :2","-F 4vw 2vw 3","227","","","","- C94 H68 O32 Zr6 -","- C93.9996 H63.0012 O32 Zr6 -","- C1503.99 H1008.02 O512 Zr96 -","16","0.0833333","","Alezi, Dalal; Spanopoulos, Ioannis; Tsangarakis, Constantinos; Shkurenko, Aleksander; Adil, Karim; Belmabkhout, Youssef; O Keeffe, Michael; Eddaoudi, Mohamed; Trikalitis, Pantelis N.","Reticular Chemistry at Its Best: Directed Assembly of Hexagonal Building Units into the Awaited Metal-Organic Framework with the Intricate Polybenzene Topology, pbz-MOF.","Journal of the American Chemical Society","2016","138","39","12767","12770","10.1021/jacs.6b08176","","","1.54178","CuKα","","0.1006","0.08","","","0.2482","0.2703","","","","","","1.003","","","","has coordinates,has disorder","241291","2020-10-21","18:00:00",""
"4130967","10.3259","0.0014","10.7672","0.0014","10.8895","0.0015","102.936","0.003","115.2","0.003","99.243","0.003","1021.7","0.2","198","2","198.21","","","","","","","","","4","P -1","-P 1","2","","Pinacolone enolate","","- C18 H33 Li3 O3 -","- C18 H33 Li3 O3 -","- C36 H66 Li6 O6 -","2","1","","Guang, Jie; Liu, Qiyong; Hopson, Russell; Kagan, Gerald; Li, Weibin; Monroe, Thomas B.; Williard, Paul G.","Conformational Polymorphism of Lithium Pinacolone Enolate.","Journal of the American Chemical Society","2016","138","46","15177","15188","10.1021/jacs.6b08177","","","0.71073","MoKα","","0.0631","0.0546","","","0.1288","0.1341","","","","","","1.0574","","","","has coordinates","241292","2020-10-21","18:00:00",""
"4130968","12.6934","0.0006","16.405","0.0008","17.556","0.0008","62.79","0.002","82.644","0.002","89.71","0.002","3218.5","0.3","133","2","133","2","","","","","","","","8","P -1","-P 1","2","","","","- C64 H48 B Cl2 F24 Ir N2 O2 -","- C64 H48 B Cl2 F24 Ir N2 O2 -","- C128 H96 B2 Cl4 F48 Ir2 N4 O4 -","2","1","","Park, Yoonsu; Heo, Joon; Baik, Mu-Hyun; Chang, Sukbok","Why is the Ir(III)-Mediated Amido Transfer Much Faster Than the Rh(III)-Mediated Reaction? A Combined Experimental and Computational Study.","Journal of the American Chemical Society","2016","138","42","14020","14029","10.1021/jacs.6b08211","","","0.71073","MoKα","","0.0668","0.0527","","","0.1167","0.1257","","","","","","1.081","","","","has coordinates,has disorder","241293","2020-10-21","18:00:00",""
"4130969","12.826","0.004","16.245","0.005","21.953","0.006","89.214","0.012","89.3","0.015","89.609","0.013","4573","2","100","","100.01","","","","","","","","","4","P -1","-P 1","2","","","","- C41 H67 N5 O8 -","- C41 H67 N5 O8 -","- C164 H268 N20 O32 -","4","2","","Shin, Seonho; Lee, Mihye; Guzei, Ilia A.; Kang, Young Kee; Choi, Soo Hyuk","12/10-Helical β-Peptide with Dynamic Folding Propensity: Coexistence of Right- and Left-Handed Helices in an Enantiomeric Foldamer.","Journal of the American Chemical Society","2016","138","40","13390","13395","10.1021/jacs.6b08235","","x-ray","0.71073","MoKα","","0.0467","0.0391","","","0.102","0.1074","","","","","","1.025","","","","has coordinates","241294","2020-10-21","18:00:00",""
"4130970","9.727","0.002","17.75","0.003","25.98","0.003","90","","90","","90","","4485.6","1.3","100","2","100","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C44.5 H76.5 N6 O7 -","- C41 H68 N6 O7 -","- C164 H272 N24 O28 -","4","1","","Shin, Seonho; Lee, Mihye; Guzei, Ilia A.; Kang, Young Kee; Choi, Soo Hyuk","12/10-Helical β-Peptide with Dynamic Folding Propensity: Coexistence of Right- and Left-Handed Helices in an Enantiomeric Foldamer.","Journal of the American Chemical Society","2016","138","40","13390","13395","10.1021/jacs.6b08235","","x-ray","1.54178","CuKα","","0.0458","0.0361","","","0.0782","0.0821","","","","","","1.03","","","","has coordinates","241294","2020-10-21","18:00:00",""
"4130971","11.5874","0.0016","23.587","0.003","16.789","0.003","90","","93.663","0.01","90","","4579.3","1.2","100","","100","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C44 H74 N6 O7 -","- C44 H74 N6 O7 -","- C176 H296 N24 O28 -","4","2","","Shin, Seonho; Lee, Mihye; Guzei, Ilia A.; Kang, Young Kee; Choi, Soo Hyuk","12/10-Helical β-Peptide with Dynamic Folding Propensity: Coexistence of Right- and Left-Handed Helices in an Enantiomeric Foldamer.","Journal of the American Chemical Society","2016","138","40","13390","13395","10.1021/jacs.6b08235","","x-ray","1.54178","CuKα","","0.0335","0.0325","","","0.0808","0.0816","","","","","","1.051","","","","has coordinates","241294","2020-10-21","18:00:00",""
"4130972","9.8305","0.0013","7.1725","0.0009","18.792","0.003","90","","91.454","0.01","90","","1324.6","0.3","296","","296","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C31 H28 N2 O -","- C31 H28 N2 O -","- C62 H56 N4 O2 -","2","1","","Lin, Hua-Chen; Wang, Pu-Sheng; Tao, Zhong-Lin; Chen, Yu-Gen; Han, Zhi-Yong; Gong, Liu-Zhu","Highly Enantioselective Allylic C-H Alkylation of Terminal Olefins with Pyrazol-5-ones Enabled by Cooperative Catalysis of Palladium Complex and Brønsted Acid.","Journal of the American Chemical Society","2016","138","43","14354","14361","10.1021/jacs.6b08236","","","1.54178","CuKα","","0.123","0.0926","","","0.2248","0.2568","","","","","","0.997","","","","has coordinates","241295","2020-10-21","18:00:00",""
"4130973","29.178","0.006","7.2062","0.0014","27.81","0.006","90","","118.307","0.004","90","","5148.2","1.8","130","","130","","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C30 H25 Cl N4 O3 -","- C30 H25 Cl N4 O3 -","- C240 H200 Cl8 N32 O24 -","8","2","","Lin, Hua-Chen; Wang, Pu-Sheng; Tao, Zhong-Lin; Chen, Yu-Gen; Han, Zhi-Yong; Gong, Liu-Zhu","Highly Enantioselective Allylic C-H Alkylation of Terminal Olefins with Pyrazol-5-ones Enabled by Cooperative Catalysis of Palladium Complex and Brønsted Acid.","Journal of the American Chemical Society","2016","138","43","14354","14361","10.1021/jacs.6b08236","","","0.71073","MoKα","","0.1089","0.0561","","","0.084","0.0994","","","","","","0.97","","","","has coordinates","241296","2020-10-21","18:00:00",""
"4130974","8.8033","0.0004","14.9971","0.0007","24.8202","0.0011","84.356","0.003","85.371","0.003","79.193","0.004","3196.6","0.3","296","","296","","","","","","","","","4","P 1","P 1","1","","","","- C37 H32 N4 O3 -","- C37 H32 N4 O3 -","- C148 H128 N16 O12 -","4","4","","Lin, Hua-Chen; Wang, Pu-Sheng; Tao, Zhong-Lin; Chen, Yu-Gen; Han, Zhi-Yong; Gong, Liu-Zhu","Highly Enantioselective Allylic C-H Alkylation of Terminal Olefins with Pyrazol-5-ones Enabled by Cooperative Catalysis of Palladium Complex and Brønsted Acid.","Journal of the American Chemical Society","2016","138","43","14354","14361","10.1021/jacs.6b08236","","","1.54178","CuKα","","0.0976","0.0867","","","0.2183","0.2413","","","","","","1.021","","","","has coordinates","241297","2020-10-21","18:00:00",""
"4130975","7.3216","0.0003","11.8592","0.0004","14.0954","0.0005","67.1137","0.0006","85.7285","0.0006","88.6015","0.0006","1124.39","0.07","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H29 Cl N4 O3 -","- C22 H29 Cl N4 O3 -","- C44 H58 Cl2 N8 O6 -","2","1","","Drori, Ran; Li, Chao; Hu, Chunhua; Raiteri, Paolo; Rohl, Andrew L.; Ward, Michael D.; Kahr, Bart","A Supramolecular Ice Growth Inhibitor.","Journal of the American Chemical Society","2016","138","40","13396","13401","10.1021/jacs.6b08267","","","0.71073","MoKα","","0.0425","0.0382","","","0.1077","0.1122","","","","","","1.052","","","","has coordinates","241298","2020-10-21","18:00:00",""
"4130976","18.8662","0.0009","21.1549","0.0011","18.224","0.0009","90","","114.134","0.001","90","","6637.7","0.6","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H17.14 Cl N4 O1.07 -","- C18 H17.1445 Cl N4 O1.07225 -","- C288 H274.312 Cl16 N64 O17.156 -","16","4","","Drori, Ran; Li, Chao; Hu, Chunhua; Raiteri, Paolo; Rohl, Andrew L.; Ward, Michael D.; Kahr, Bart","A Supramolecular Ice Growth Inhibitor.","Journal of the American Chemical Society","2016","138","40","13396","13401","10.1021/jacs.6b08267","","","0.41328","synchrotron","","0.0711","0.0586","","","0.1621","0.1768","","","","","","1.043","","","","has coordinates,has disorder","241298","2020-10-21","18:00:00",""
"4130977","10.287","0.004","11.63","0.005","12.711","0.005","63.097","0.004","69.525","0.004","64.5","0.004","1201.1","0.8","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C24 H31 N5 O5 -","- C24 H31 N5 O5 -","- C48 H62 N10 O10 -","2","1","","Drori, Ran; Li, Chao; Hu, Chunhua; Raiteri, Paolo; Rohl, Andrew L.; Ward, Michael D.; Kahr, Bart","A Supramolecular Ice Growth Inhibitor.","Journal of the American Chemical Society","2016","138","40","13396","13401","10.1021/jacs.6b08267","","","0.71073","MoKα","","0.1099","0.0616","","","0.1576","0.1871","","","","","","1.028","","","","has coordinates,has disorder","241298","2020-10-21","18:00:00",""
"4130978","12.783","0.002","7.119","0.0014","22.379","0.004","90","","97.446","0.003","90","","2019.4","0.6","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H23 Cl N4 O2 -","- C20 H19 N4 -","- C80 H76 N16 -","4","1","","Drori, Ran; Li, Chao; Hu, Chunhua; Raiteri, Paolo; Rohl, Andrew L.; Ward, Michael D.; Kahr, Bart","A Supramolecular Ice Growth Inhibitor.","Journal of the American Chemical Society","2016","138","40","13396","13401","10.1021/jacs.6b08267","","","0.71073","MoKα","","0.1882","0.112","","","0.3555","0.4071","","","","","","1.079","","","","has coordinates,has disorder","241298","2020-10-21","18:00:00",""
"4130979","9.2236","0.0003","12.0067","0.0004","29.5763","0.0011","90","","95.7501","0.0009","90","","3258.95","0.19","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C33 H46 N4 Ni O5 -","- C33 H46 N4 Ni O5 -","- C132 H184 N16 Ni4 O20 -","4","1","","Pirovano, Paolo; Farquhar, Erik R.; Swart, Marcel; McDonald, Aidan R.","Tuning the Reactivity of Terminal Nickel(III)-Oxygen Adducts for C-H Bond Activation.","Journal of the American Chemical Society","2016","138","43","14362","14370","10.1021/jacs.6b08406","","","0.71073","MoKα","","0.0503","0.0362","","","0.0821","0.088","","","","","","1.068","","","","has coordinates,has disorder","241299","2020-10-21","18:00:00",""
"4130980","13.9373","0.001","11.6859","0.0008","14.2687","0.0009","90","","101.557","0.0017","90","","2276.8","0.3","100","2","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C25 H24 N4 Ni O2 -","- C25 H24 N4 Ni O2 -","- C100 H96 N16 Ni4 O8 -","4","1","","Pirovano, Paolo; Farquhar, Erik R.; Swart, Marcel; McDonald, Aidan R.","Tuning the Reactivity of Terminal Nickel(III)-Oxygen Adducts for C-H Bond Activation.","Journal of the American Chemical Society","2016","138","43","14362","14370","10.1021/jacs.6b08406","","x-ray","0.71073","MoKα","","0.072","0.0384","","","0.076","0.0873","","","","","","1.023","","","","has coordinates","241300","2020-10-21","18:00:00",""
"4130981","17.8415","0.0009","11.2027","0.0006","17.1224","0.0008","90","","109.147","0.001","90","","3233","0.3","100","","100","","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C31 H41 N5 Ni O5 -","- C31 H41 N5 Ni O5 -","- C124 H164 N20 Ni4 O20 -","4","1","","Pirovano, Paolo; Farquhar, Erik R.; Swart, Marcel; McDonald, Aidan R.","Tuning the Reactivity of Terminal Nickel(III)-Oxygen Adducts for C-H Bond Activation.","Journal of the American Chemical Society","2016","138","43","14362","14370","10.1021/jacs.6b08406","","x-ray","0.71073","MoKα","","0.061","0.0555","","","0.1351","0.1389","","","","","","1.037","","","","has coordinates,has disorder","241301","2020-10-21","18:00:00",""
"4130982","22.7774","0.0012","22.7774","0.0012","12.8368","0.0006","90","","90","","120","","5767.6","0.5","100","2","100.15","","","","","","","","","7","P 3 2 1","P 3 2""","150","","","","- C112 H105 Eu F9 N9 O25 S3 -","- C112 H105.001 Eu F9 N9 O25.0002 S3 -","- C224 H210.001 Eu2 F18 N18 O50.0004 S6 -","2","0.333333","","Gil-Ramírez, Guzmán; Hoekman, Steven; Kitching, Matthew O.; Leigh, David A.; Vitorica-Yrezabal, Iñigo J; Zhang, Gen","Tying a Molecular Overhand Knot of Single Handedness and Asymmetric Catalysis with the Corresponding Pseudo-D<sub>3</sub>-Symmetric Trefoil Knot.","Journal of the American Chemical Society","2016","138","40","13159","13162","10.1021/jacs.6b08421","","x-ray","0.6889","","","0.1502","0.1144","","","0.3021","0.3394","","","","","","1.093","","","","has coordinates,has disorder","241302","2020-10-21","18:00:00",""
"4130983","10.7702","0.0003","12.3858","0.0003","13.0046","0.0003","80.57","0.001","79.217","0.001","70.885","0.001","1600.33","0.07","100","","99.99","","","","","","","","","7","P -1","-P 1","2","","","","- C64 H40 N O2 P2 S16 V -","- C65 H43 O2 P2 S16 V -","- C65 H43 O2 P2 S16 V -","1","0.5","","Yu, Chung-Jui; Graham, Michael J.; Zadrozny, Joseph M.; Niklas, Jens; Krzyaniak, Matthew D.; Wasielewski, Michael R.; Poluektov, Oleg G.; Freedman, Danna E.","Long Coherence Times in Nuclear Spin-Free Vanadyl Qubits.","Journal of the American Chemical Society","2016","138","44","14678","14685","10.1021/jacs.6b08467","","","0.71073","MoKα","","0.0374","0.0354","","","0.0871","0.0886","","","","","","1.085","","","","has coordinates,has disorder","241303","2020-10-21","18:00:00",""
"4130984","20.132","0.0005","12.566","0.0004","20.6518","0.0006","90","","94.866","0.001","90","","5205.6","0.3","100.06","","100.06","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C54 H40 O P2 S10 V -","- C54 H40 O P2 S10 V -","- C216 H160 O4 P8 S40 V4 -","4","0.5","","Yu, Chung-Jui; Graham, Michael J.; Zadrozny, Joseph M.; Niklas, Jens; Krzyaniak, Matthew D.; Wasielewski, Michael R.; Poluektov, Oleg G.; Freedman, Danna E.","Long Coherence Times in Nuclear Spin-Free Vanadyl Qubits.","Journal of the American Chemical Society","2016","138","44","14678","14685","10.1021/jacs.6b08467","","","0.71073","MoKα","","0.0364","0.0305","","","0.0739","0.0773","","","","","","1.034","","","","has coordinates","241304","2020-10-21","18:00:00",""
"4130985","10.9282","0.0005","14.9295","0.0006","15.4749","0.0007","90","","91.432","0.002","90","","2523.98","0.19","99.99","","99.99","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C54 H40 O3 P2 S8 V -","- C54 H40 O3 P2 S8 V -","- C108 H80 O6 P4 S16 V2 -","2","0.5","","Yu, Chung-Jui; Graham, Michael J.; Zadrozny, Joseph M.; Niklas, Jens; Krzyaniak, Matthew D.; Wasielewski, Michael R.; Poluektov, Oleg G.; Freedman, Danna E.","Long Coherence Times in Nuclear Spin-Free Vanadyl Qubits.","Journal of the American Chemical Society","2016","138","44","14678","14685","10.1021/jacs.6b08467","","","1.54178","CuKα","","0.0746","0.074","","","0.1809","0.1811","","","","","","1.374","","","","has coordinates","241305","2020-10-21","18:00:00",""
"4130986","11.0123","0.0006","15.169","0.0009","15.074","0.0008","90","","94.532","0.003","90","","2510.2","0.2","100","2","100.07","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C54 H40 O P2 S10 V -","- C54 H40 O P2 S10 V -","- C108 H80 O2 P4 S20 V2 -","2","0.5","","Yu, Chung-Jui; Graham, Michael J.; Zadrozny, Joseph M.; Niklas, Jens; Krzyaniak, Matthew D.; Wasielewski, Michael R.; Poluektov, Oleg G.; Freedman, Danna E.","Long Coherence Times in Nuclear Spin-Free Vanadyl Qubits.","Journal of the American Chemical Society","2016","138","44","14678","14685","10.1021/jacs.6b08467","","","0.71073","MoKα","","0.0541","0.045","","","0.0914","0.0943","","","","","","1.168","","","","has coordinates,has disorder","241306","2020-10-21","18:00:00",""
"4130987","7.7605","0.0011","9.9453","0.0014","22.343","0.003","90","","100.129","0.004","90","","1697.6","0.4","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H7 F9 N2 -","- C20 H7 F9 N2 -","- C80 H28 F36 N8 -","4","1","","Peterson, Paul W.; Shevchenko, Nikolay; Breiner, Boris; Manoharan, Mariappan; Lufti, Forat; Delaune, Jess; Kingsley, Margaret; Kovnir, Kirill; Alabugin, Igor V.","Orbital Crossings Activated through Electron Injection: Opening Communication between Orthogonal Orbitals in Anionic C1-C5 Cyclizations of Enediynes.","Journal of the American Chemical Society","2016","138","48","15617","15628","10.1021/jacs.6b08540","","","0.71073","MoKα","","0.0551","0.0346","","","0.082","0.0916","","","","","","1.037","","","","has coordinates,has disorder","241307","2020-10-21","18:00:00",""
"4130988","29.525","0.006","23.121","0.004","14.177","0.003","90","","103.333","0.006","90","","9417","3","100","","100","","","","","","","","","6","C 1 m 1","C -2y","8","","","","- C64 H72 Au8 F24 N30 P4 -","- C64 H72 Au8 F24 N30 P4 -","- C256 H288 Au32 F96 N120 P16 -","4","1","","Altmann, Philipp J.; Pöthig, Alexander","Pillarplexes: A Metal-Organic Class of Supramolecular Hosts.","Journal of the American Chemical Society","2016","138","40","13171","13174","10.1021/jacs.6b08571","","x-ray","0.71073","MoKα","","0.0488","0.0375","","","0.0893","0.0952","","","","","","1.034","","","","has coordinates","241308","2020-10-21","18:00:00",""
"4130989","8.6249","0.0017","14.82","0.003","10.971","0.002","90","","95.98","0.03","90","","1394.7","0.5","173","2","173.15","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C15 H19 N O3 S -","- C15 H19 N O3 S -","- C60 H76 N4 O12 S4 -","4","2","","Wang, Gang-Wei; McCreanor, Niall G.; Shaw, Megan H.; Whittingham, William G.; Bower, John F.","New Initiation Modes for Directed Carbonylative C-C Bond Activation: Rhodium-Catalyzed (3 + 1 + 2) Cycloadditions of Aminomethylcyclopropanes.","Journal of the American Chemical Society","2016","138","41","13501","13504","10.1021/jacs.6b08608","","","0.71073","MoKα","","0.031","0.0296","","","0.0779","0.0788","","","","","","1.074","","","","has coordinates,has disorder","241310","2020-10-21","18:00:00",""
"4130990","6.1191","0.0008","11.5957","0.0014","21.292","0.002","90","","90.255","0.01","90","","1510.8","0.3","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C16 H21 N O3 S -","- C16 H21 N O3 S -","- C64 H84 N4 O12 S4 -","4","1","","Wang, Gang-Wei; McCreanor, Niall G.; Shaw, Megan H.; Whittingham, William G.; Bower, John F.","New Initiation Modes for Directed Carbonylative C-C Bond Activation: Rhodium-Catalyzed (3 + 1 + 2) Cycloadditions of Aminomethylcyclopropanes.","Journal of the American Chemical Society","2016","138","41","13501","13504","10.1021/jacs.6b08608","","","0.71073","MoKα","","0.1139","0.077","","","0.178","0.1993","","","","","","1.057","","","","has coordinates","241311","2020-10-21","18:00:00",""
"4130991","28.7207","0.0009","12.1769","0.0003","10.4303","0.0003","90","","97.444","0.002","90","","3617.04","0.18","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C19 H27 N O3 S -","- C19 H27 N O3 S -","- C152 H216 N8 O24 S8 -","8","1","","Wang, Gang-Wei; McCreanor, Niall G.; Shaw, Megan H.; Whittingham, William G.; Bower, John F.","New Initiation Modes for Directed Carbonylative C-C Bond Activation: Rhodium-Catalyzed (3 + 1 + 2) Cycloadditions of Aminomethylcyclopropanes.","Journal of the American Chemical Society","2016","138","41","13501","13504","10.1021/jacs.6b08608","","","0.71073","MoKα","","0.0863","0.0519","","","0.1165","0.1312","","","","","","1.032","","","","has coordinates,has disorder","241312","2020-10-21","18:00:00",""
"4130992","13.658","0.0008","5.6045","0.0003","20.168","0.0013","90","","97.722","0.004","90","","1529.79","0.16","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H21 N O3 S -","- C16 H21 N O3 S -","- C64 H84 N4 O12 S4 -","4","1","","Wang, Gang-Wei; McCreanor, Niall G.; Shaw, Megan H.; Whittingham, William G.; Bower, John F.","New Initiation Modes for Directed Carbonylative C-C Bond Activation: Rhodium-Catalyzed (3 + 1 + 2) Cycloadditions of Aminomethylcyclopropanes.","Journal of the American Chemical Society","2016","138","41","13501","13504","10.1021/jacs.6b08608","","","0.71073","MoKα","","0.0584","0.0424","","","0.0939","0.1011","","","","","","1.066","","","","has coordinates,has disorder","241313","2020-10-21","18:00:00",""
"4130993","8.0648","0.0004","8.3002","0.0004","14.4327","0.0008","88.447","0.003","74.397","0.003","69.748","0.003","870.66","0.08","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H25 N O3 S -","- C18 H25 N O3 S -","- C36 H50 N2 O6 S2 -","2","1","","Wang, Gang-Wei; McCreanor, Niall G.; Shaw, Megan H.; Whittingham, William G.; Bower, John F.","New Initiation Modes for Directed Carbonylative C-C Bond Activation: Rhodium-Catalyzed (3 + 1 + 2) Cycloadditions of Aminomethylcyclopropanes.","Journal of the American Chemical Society","2016","138","41","13501","13504","10.1021/jacs.6b08608","","","0.71073","MoKα","","0.0406","0.0339","","","0.0866","0.0907","","","","","","1.029","","","","has coordinates","241314","2020-10-21","18:00:00",""
"4130994","9.2982","0.0005","17.6122","0.0011","25.4699","0.0015","90","","90","","90","","4171","0.4","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C23 H27 N O4 S -","- C23 H27 N O4 S -","- C184 H216 N8 O32 S8 -","8","1","","Wang, Gang-Wei; McCreanor, Niall G.; Shaw, Megan H.; Whittingham, William G.; Bower, John F.","New Initiation Modes for Directed Carbonylative C-C Bond Activation: Rhodium-Catalyzed (3 + 1 + 2) Cycloadditions of Aminomethylcyclopropanes.","Journal of the American Chemical Society","2016","138","41","13501","13504","10.1021/jacs.6b08608","","","0.71073","MoKα","","0.0911","0.0487","","","0.1015","0.1203","","","","","","1.027","","","","has coordinates,has disorder","241315","2020-10-21","18:00:00",""
"4130995","18.1147","0.0004","9.2175","0.0002","18.0021","0.0004","90","","102.909","0.0013","90","","2929.88","0.11","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C15 H21 N O3 S -","- C15 H21 N O3 S -","- C120 H168 N8 O24 S8 -","8","1","","Wang, Gang-Wei; McCreanor, Niall G.; Shaw, Megan H.; Whittingham, William G.; Bower, John F.","New Initiation Modes for Directed Carbonylative C-C Bond Activation: Rhodium-Catalyzed (3 + 1 + 2) Cycloadditions of Aminomethylcyclopropanes.","Journal of the American Chemical Society","2016","138","41","13501","13504","10.1021/jacs.6b08608","","","0.71073","MoKα","","0.0447","0.0375","","","0.101","0.1063","","","","","","1.028","","","","has coordinates,has disorder","241317","2020-10-21","18:00:00",""
"4130996","8.7899","0.0004","11.2965","0.0005","13.9729","0.0007","90","","99.078","0.004","90","","1370.06","0.11","100","","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H19 N O3 -","- C16 H19 N O3 -","- C64 H76 N4 O12 -","4","1","","Wang, Gang-Wei; McCreanor, Niall G.; Shaw, Megan H.; Whittingham, William G.; Bower, John F.","New Initiation Modes for Directed Carbonylative C-C Bond Activation: Rhodium-Catalyzed (3 + 1 + 2) Cycloadditions of Aminomethylcyclopropanes.","Journal of the American Chemical Society","2016","138","41","13501","13504","10.1021/jacs.6b08608","","","0.71073","MoKα","","0.0848","0.0523","","","0.107","0.1196","","","","","","1.064","","","","has coordinates,has disorder","241318","2020-10-21","18:00:00",""
"4130997","6.4374","0.0008","9.2636","0.0013","32.837","0.004","90","","90.103","0.005","90","","1958.2","0.4","100","","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H29 N O3 -","- C22 H29 N O3 -","- C88 H116 N4 O12 -","4","1","","Wang, Gang-Wei; McCreanor, Niall G.; Shaw, Megan H.; Whittingham, William G.; Bower, John F.","New Initiation Modes for Directed Carbonylative C-C Bond Activation: Rhodium-Catalyzed (3 + 1 + 2) Cycloadditions of Aminomethylcyclopropanes.","Journal of the American Chemical Society","2016","138","41","13501","13504","10.1021/jacs.6b08608","","","1.54178","CuKα","","0.0357","0.0344","","","0.0877","0.0893","","","","","","1.084","","","","has coordinates","241319","2020-10-21","18:00:00",""
"4130998","5.8941","0.0003","18.9753","0.001","16.8998","0.0009","90","","93.593","0.003","90","","1886.4","0.17","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C23 H25 N O3 -","- C23 H25 N O3 -","- C92 H100 N4 O12 -","4","1","","Wang, Gang-Wei; McCreanor, Niall G.; Shaw, Megan H.; Whittingham, William G.; Bower, John F.","New Initiation Modes for Directed Carbonylative C-C Bond Activation: Rhodium-Catalyzed (3 + 1 + 2) Cycloadditions of Aminomethylcyclopropanes.","Journal of the American Chemical Society","2016","138","41","13501","13504","10.1021/jacs.6b08608","","","0.71073","MoKα","","0.1144","0.0549","","","0.1256","0.1545","","","","","","1.014","","","","has coordinates,has disorder","241321","2020-10-21","18:00:00",""
"4130999","6.712","0.004","12.071","0.007","14.442","0.009","78.49","0.011","89.905","0.015","76.71","0.016","1114.7","1.2","100","2","293","2","","","","","","","","3","P -1","-P 1","2","Py3:PFB","","","- C52 H44 F10 -","- C52 H44 F10 -","- C52 H44 F10 -","1","0.5","","Lu, Jingzhi; Khetrapal, Navneet S.; Johnson, Jacob A.; Zeng, Xiao Cheng; Zhang, Jian","""π-Hole-π"" Interaction Promoted Photocatalytic Hydrodefluorination via Inner-Sphere Electron Transfer.","Journal of the American Chemical Society","2016","138","49","15805","15808","10.1021/jacs.6b08620","","","0.41328","synchrotron","","0.1675","0.1559","","","0.3785","0.3857","","","","","","3.091","","","","has coordinates","241322","2020-10-21","18:00:00",""
"4131000","6.6791","0.0006","11.778","0.0012","14.4954","0.0015","98.279","0.003","91.547","0.003","103.011","0.003","1097.36","0.19","100","2","100","2","","","","","","","","3","P -1","-P 1","2","Py3:HFB","","","- C52 H42 F12 -","- C52 H42 F12 -","- C52 H42 F12 -","1","0.5","","Lu, Jingzhi; Khetrapal, Navneet S.; Johnson, Jacob A.; Zeng, Xiao Cheng; Zhang, Jian","""π-Hole-π"" Interaction Promoted Photocatalytic Hydrodefluorination via Inner-Sphere Electron Transfer.","Journal of the American Chemical Society","2016","138","49","15805","15808","10.1021/jacs.6b08620","","","0.41328","synchrotron","","0.0992","0.091","","","0.2848","0.3028","","","","","","1.378","","","","has coordinates","241324","2020-10-21","18:00:00",""
"4131001","6.672","0.003","11.972","0.004","14.349","0.005","78.402","0.019","89.63","0.02","76.61","0.02","1091.3","0.7","296","2","296","2","","","","","","","","3","P -1","-P 1","2","Py3:TFB","","","- C52 H46 F8 -","- C52 H46 F8 -","- C52 H46 F8 -","1","0.5","","Lu, Jingzhi; Khetrapal, Navneet S.; Johnson, Jacob A.; Zeng, Xiao Cheng; Zhang, Jian","""π-Hole-π"" Interaction Promoted Photocatalytic Hydrodefluorination via Inner-Sphere Electron Transfer.","Journal of the American Chemical Society","2016","138","49","15805","15808","10.1021/jacs.6b08620","","","0.41328","synchrotron","","0.1729","0.1381","","","0.329","0.3544","","","","","","1.403","","","","has coordinates","241325","2020-10-21","18:00:00",""
"4131002","16.545","0.003","5.7664","0.0011","17.656","0.003","90","","102.525","0.004","90","","1644.4","0.5","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H18 I N O2 -","- C16 H18 I N O2 -","- C64 H72 I4 N4 O8 -","4","1","","Xu, Bin; Tambar, Uttam K.","Ligand-Controlled Regiodivergence in the Copper-Catalyzed [2,3]- and [1,2]-Rearrangements of Iodonium Ylides.","Journal of the American Chemical Society","2016","138","37","12073","12076","10.1021/jacs.6b08624","","","0.71073","MoKα","","0.0239","0.021","","","0.0451","0.0462","","","","","","1.078","","","","has coordinates","241326","2020-10-21","18:00:00",""
"4131003","20.9019","0.0019","8.624","0.0007","10.1737","0.0009","90","","90","","90","","1833.9","0.3","200","2","200","2","","","","","","","","6","P 21 21 2","P 2 2ab","18","","","","- C42 H43 Cl2 Co N3 O2 -","- C42 H41 Cl2 Co N3 O2 -","- C84 H82 Cl4 Co2 N6 O4 -","2","0.5","","Wang, Chun-Chieh; Chang, Hao-Ching; Lai, Yei-Chen; Fang, Huayi; Li, Chieh-Chin; Hsu, Hung-Kai; Li, Zong-Yan; Lin, Tien-Sung; Kuo, Ting-Shen; Neese, Frank; Ye, Shengfa; Chiang, Yun-Wei; Tsai, Ming-Li; Liaw, Wen-Feng; Lee, Way-Zen","A Structurally Characterized Nonheme Cobalt-Hydroperoxo Complex Derived from Its Superoxo Intermediate via Hydrogen Atom Abstraction.","Journal of the American Chemical Society","2016","138","43","14186","14189","10.1021/jacs.6b08642","","","0.71073","MoKα","","0.0681","0.0512","","","0.0993","0.1082","","","","","","1.027","","","","has coordinates","241327","2020-10-21","18:00:00",""
"4131004","13.6583","0.0012","13.9494","0.0013","20.992","0.0016","90","","90","","90","","3999.5","0.6","200","2","200","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C45 H51 B Co F4 N3 O4 -","- C45 H51 B Co F4 N3 O4 -","- C180 H204 B4 Co4 F16 N12 O16 -","4","1","","Wang, Chun-Chieh; Chang, Hao-Ching; Lai, Yei-Chen; Fang, Huayi; Li, Chieh-Chin; Hsu, Hung-Kai; Li, Zong-Yan; Lin, Tien-Sung; Kuo, Ting-Shen; Neese, Frank; Ye, Shengfa; Chiang, Yun-Wei; Tsai, Ming-Li; Liaw, Wen-Feng; Lee, Way-Zen","A Structurally Characterized Nonheme Cobalt-Hydroperoxo Complex Derived from Its Superoxo Intermediate via Hydrogen Atom Abstraction.","Journal of the American Chemical Society","2016","138","43","14186","14189","10.1021/jacs.6b08642","","","0.71073","MoKα","","0.0771","0.0578","","","0.1596","0.1855","","","","","","1.103","","","","has coordinates","241327","2020-10-21","18:00:00",""
"4131005","13.5048","0.0014","13.8737","0.0015","21.217","0.003","90","","90","","90","","3975.2","0.8","200","2","200","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C45 H54 Co N3 O7 -","- C45 H54 Co N3 O7 -","- C180 H216 Co4 N12 O28 -","4","1","","Wang, Chun-Chieh; Chang, Hao-Ching; Lai, Yei-Chen; Fang, Huayi; Li, Chieh-Chin; Hsu, Hung-Kai; Li, Zong-Yan; Lin, Tien-Sung; Kuo, Ting-Shen; Neese, Frank; Ye, Shengfa; Chiang, Yun-Wei; Tsai, Ming-Li; Liaw, Wen-Feng; Lee, Way-Zen","A Structurally Characterized Nonheme Cobalt-Hydroperoxo Complex Derived from Its Superoxo Intermediate via Hydrogen Atom Abstraction.","Journal of the American Chemical Society","2016","138","43","14186","14189","10.1021/jacs.6b08642","","","0.71073","MoKα","","0.0437","0.0381","","","0.0979","0.1015","","","","","","1.035","","","","has coordinates","241327","2020-10-21","18:00:00",""
"4131006","8.4175","0.0005","10.6899","0.0007","22.6411","0.0014","90","","95.127","0.002","90","","2029.1","0.2","189","2","189","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C26 H48 Mo2 N6 O7 S8 -","- C26 H48 Mo2 N6 O7 S8 -","- C52 H96 Mo4 N12 O14 S16 -","2","0.5","","Garrett, Benjamin R.; Click, Kevin A.; Durr, Christopher B.; Hadad, Christopher M.; Wu, Yiying","[MoO(S<sub>2</sub>)<sub>2</sub>L]<sup>1-</sup> (L = picolinate or pyrimidine-2-carboxylate) Complexes as MoS<sub>x</sub>-Inspired Electrocatalysts for Hydrogen Production in Aqueous Solution.","Journal of the American Chemical Society","2016","138","41","13726","13731","10.1021/jacs.6b08652","","","0.71073","MoKα","","0.0413","0.0286","","","0.0609","0.0667","","","","","","1.003","","","","has coordinates","241328","2020-10-21","18:00:00",""
"4131007","12.6807","0.001","12.2202","0.001","13.4341","0.001","90","","109.872","0.002","90","","1957.8","0.3","180","2","180","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C14 H24 Mo N2 O3 S4 -","- C14 H24 Mo N2 O3 S4 -","- C56 H96 Mo4 N8 O12 S16 -","4","1","","Garrett, Benjamin R.; Click, Kevin A.; Durr, Christopher B.; Hadad, Christopher M.; Wu, Yiying","[MoO(S<sub>2</sub>)<sub>2</sub>L]<sup>1-</sup> (L = picolinate or pyrimidine-2-carboxylate) Complexes as MoS<sub>x</sub>-Inspired Electrocatalysts for Hydrogen Production in Aqueous Solution.","Journal of the American Chemical Society","2016","138","41","13726","13731","10.1021/jacs.6b08652","","","0.71073","MoKα","","0.0388","0.0278","","","0.0641","0.0706","","","","","","0.984","","","","has coordinates","241329","2020-10-21","18:00:00",""
"4131008","8.7409","0.0005","10.9925","0.0006","17.4245","0.001","106.582","0.004","94.206","0.005","97.026","0.005","1582.2","0.16","193","2","193","2","","","","","","","","4","P -1","-P 1","2","","","","- C46 H24 B2 O4 -","- C46 H24 B2 O4 -","- C92 H48 B4 O8 -","2","1","","Wang, Xiao-Ye; Wang, Xin-Chang; Narita, Akimitsu; Wagner, Manfred; Cao, Xiao-Yu; Feng, Xinliang; Müllen, Klaus","Synthesis, Structure, and Chiroptical Properties of a Double [7]Heterohelicene.","Journal of the American Chemical Society","2016","138","39","12783","12786","10.1021/jacs.6b08664","","","0.71073","MoKα","","0.0865","0.0479","","","0.1153","0.1351","","","","","","1.009","","","","has coordinates","241330","2020-10-21","18:00:00",""
"4131009","32.9726","0.001","32.9726","0.001","10.6792","0.0003","90","","90","","120","","10054.9","0.5","193","2","193","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- C50 H37 Br O4 -","- C50 H37 Br O4 -","- C450 H333 Br9 O36 -","9","0.5","","Wang, Xiao-Ye; Wang, Xin-Chang; Narita, Akimitsu; Wagner, Manfred; Cao, Xiao-Yu; Feng, Xinliang; Müllen, Klaus","Synthesis, Structure, and Chiroptical Properties of a Double [7]Heterohelicene.","Journal of the American Chemical Society","2016","138","39","12783","12786","10.1021/jacs.6b08664","","","0.71073","MoKα","","0.1359","0.0932","","","0.2454","0.267","","","","","","1.525","","","","has coordinates,has disorder","241330","2020-10-21","18:00:00",""
"4131010","19.0058","0.0018","19.4184","0.0019","27.044","0.003","90","","90","","90","","9980.9","1.8","173","2","173","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C116 H106 Ag4 O4 P4 -","- C116 H94 Ag4 O4 P4 -","- C464 H376 Ag16 O16 P16 -","4","0.5","","Hau, Sam C. K.; Yeung, Margaret C.-L.; Yam, Vivian W.-W.; Mak, Thomas C. W.","Assembly of Heterometallic Silver(I)-Copper(I) Alkyl-1,3-diynyl Clusters via Inner-Core Expansion.","Journal of the American Chemical Society","2016","138","41","13732","13739","10.1021/jacs.6b08674","","","0.71073","MoKα","","0.0614","0.0485","","","0.123","0.1361","","","","","","1.119","","","","has coordinates","241331","2020-10-21","18:00:00",""
"4131011","18.753","0.003","22.105","0.004","22.412","0.004","83.449","0.003","81.184","0.003","74.146","0.003","8806","3","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C100 H88 Ag4 P4 -","- C100 H88 Ag4 P4 -","- C400 H352 Ag16 P16 -","4","2","","Hau, Sam C. K.; Yeung, Margaret C.-L.; Yam, Vivian W.-W.; Mak, Thomas C. W.","Assembly of Heterometallic Silver(I)-Copper(I) Alkyl-1,3-diynyl Clusters via Inner-Core Expansion.","Journal of the American Chemical Society","2016","138","41","13732","13739","10.1021/jacs.6b08674","","","0.71073","MoKα","","0.1256","0.0901","","","0.2325","0.2944","","","","","","1.104","","","","has coordinates","241331","2020-10-21","18:00:00",""
"4131012","19.6169","0.0018","27.203","0.003","37.155","0.004","90","","90","","90","","19827","4","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C108 H102 Ag4 N2 P4 -","- C108 H102 Ag4 N2 P4 -","- C864 H816 Ag32 N16 P32 -","8","1","","Hau, Sam C. K.; Yeung, Margaret C.-L.; Yam, Vivian W.-W.; Mak, Thomas C. W.","Assembly of Heterometallic Silver(I)-Copper(I) Alkyl-1,3-diynyl Clusters via Inner-Core Expansion.","Journal of the American Chemical Society","2016","138","41","13732","13739","10.1021/jacs.6b08674","","","0.71073","MoKα","","0.0739","0.055","","","0.13","0.1469","","","","","","1.211","","","","has coordinates","241331","2020-10-21","18:00:00",""
"4131013","17.876","0.002","24.26","0.003","29.799","0.004","90","","93.058","0.003","90","","12905","3","173","2","173.15","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C146 H142 Ag3 Cu F6 O2 P7 -","- C146 H142 Ag3 Cu F6 O2 P7 -","- C584 H568 Ag12 Cu4 F24 O8 P28 -","4","1","","Hau, Sam C. K.; Yeung, Margaret C.-L.; Yam, Vivian W.-W.; Mak, Thomas C. W.","Assembly of Heterometallic Silver(I)-Copper(I) Alkyl-1,3-diynyl Clusters via Inner-Core Expansion.","Journal of the American Chemical Society","2016","138","41","13732","13739","10.1021/jacs.6b08674","","","0.71073","MoKα","","0.1371","0.0784","","","0.1645","0.2006","","","","","","1.084","","","","has coordinates","241331","2020-10-21","18:00:00",""
"4131014","13.6648","0.0014","15.9205","0.0018","27.74","0.003","94.708","0.002","90.237","0.002","111.692","0.002","5584.7","1","173","","173.15","","","","","","","","","6","P -1","-P 1","2","","","","- C129 H111 Ag3 Cu F6 P7 -","- C129 H111 Ag3 Cu F6 P7 -","- C258 H222 Ag6 Cu2 F12 P14 -","2","1","","Hau, Sam C. K.; Yeung, Margaret C.-L.; Yam, Vivian W.-W.; Mak, Thomas C. W.","Assembly of Heterometallic Silver(I)-Copper(I) Alkyl-1,3-diynyl Clusters via Inner-Core Expansion.","Journal of the American Chemical Society","2016","138","41","13732","13739","10.1021/jacs.6b08674","","","0.71073","MoKα","","0.1109","0.0731","","","0.1752","0.2005","","","","","","1.062","","","","has coordinates","241331","2020-10-21","18:00:00",""
"4131015","17.29","0.002","22.473","0.002","38.287","0.004","90","","93.844","0.003","90","","14843","3","173","2","173.15","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C166 H166 Ag7 Cu F7 O1.5 P6 -","- C166 H164 Ag7 Cu F7 O1.5 P6 -","- C664 H656 Ag28 Cu4 F28 O6 P24 -","4","1","","Hau, Sam C. K.; Yeung, Margaret C.-L.; Yam, Vivian W.-W.; Mak, Thomas C. W.","Assembly of Heterometallic Silver(I)-Copper(I) Alkyl-1,3-diynyl Clusters via Inner-Core Expansion.","Journal of the American Chemical Society","2016","138","41","13732","13739","10.1021/jacs.6b08674","","","0.71073","MoKα","","0.1373","0.0988","","","0.246","0.2964","","","","","","1.127","","","","has coordinates,has disorder","241331","2020-10-21","18:00:00",""
"4131016","19.067","0.002","23.256","0.003","33.242","0.004","90","","97.73","0.002","90","","14606","3","173","2","173","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C146 H139 Ag7 Cl Cu O5 P5 -","- C146 H121 Ag7 Cl Cu O4 P5 -","- C584 H484 Ag28 Cl4 Cu4 O16 P20 -","4","1","","Hau, Sam C. K.; Yeung, Margaret C.-L.; Yam, Vivian W.-W.; Mak, Thomas C. W.","Assembly of Heterometallic Silver(I)-Copper(I) Alkyl-1,3-diynyl Clusters via Inner-Core Expansion.","Journal of the American Chemical Society","2016","138","41","13732","13739","10.1021/jacs.6b08674","","","0.71073","MoKα","","0.1114","0.0947","","","0.2202","0.2308","","","","","","1.026","","","","has coordinates","241331","2020-10-21","18:00:00",""
"4131017","17.2502","0.0014","17.4681","0.0014","22.3312","0.0018","110.625","0.002","103.643","0.002","94.745","0.002","6017.5","0.8","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C132 H115 Ag6 Cu F6 P6 -","- C132 H103 Ag6 Cu F6 P6 -","- C264 H206 Ag12 Cu2 F12 P12 -","2","1","","Hau, Sam C. K.; Yeung, Margaret C.-L.; Yam, Vivian W.-W.; Mak, Thomas C. W.","Assembly of Heterometallic Silver(I)-Copper(I) Alkyl-1,3-diynyl Clusters via Inner-Core Expansion.","Journal of the American Chemical Society","2016","138","41","13732","13739","10.1021/jacs.6b08674","","","0.71073","MoKα","","0.1039","0.0874","","","0.235","0.2597","","","","","","1.093","","","","has coordinates","241331","2020-10-21","18:00:00",""
"4131018","16.1392","0.0015","18.1415","0.0017","18.8643","0.0018","64.357","0.002","67.868","0.002","83.347","0.002","4605","0.8","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C208 H198 Ag10 Cu2 F12 P8 -","- C208 H178 Ag10 Cu2 F12 P8 -","- C208 H178 Ag10 Cu2 F12 P8 -","1","0.5","","Hau, Sam C. K.; Yeung, Margaret C.-L.; Yam, Vivian W.-W.; Mak, Thomas C. W.","Assembly of Heterometallic Silver(I)-Copper(I) Alkyl-1,3-diynyl Clusters via Inner-Core Expansion.","Journal of the American Chemical Society","2016","138","41","13732","13739","10.1021/jacs.6b08674","","","0.71073","MoKα","","0.0864","0.0681","","","0.1792","0.2016","","","","","","1.07","","","","has coordinates","241331","2020-10-21","18:00:00",""
"4131019","15.5936","0.0018","16.7877","0.0018","17.1552","0.0019","112.706","0.002","98.107","0.002","93.65","0.002","4067","0.8","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C178 H160 Ag10 Cu2 F12 P8 -","- C178 H160 Ag10 Cu2 F12 P8 -","- C178 H160 Ag10 Cu2 F12 P8 -","1","0.5","","Hau, Sam C. K.; Yeung, Margaret C.-L.; Yam, Vivian W.-W.; Mak, Thomas C. W.","Assembly of Heterometallic Silver(I)-Copper(I) Alkyl-1,3-diynyl Clusters via Inner-Core Expansion.","Journal of the American Chemical Society","2016","138","41","13732","13739","10.1021/jacs.6b08674","","","0.71073","MoKα","","0.118","0.1016","","","0.2574","0.2867","","","","","","1.083","","","","has coordinates","241331","2020-10-21","18:00:00",""
"4131020","13.1713","0.0013","15.8646","0.0015","17.2421","0.0017","101.523","0.002","111.227","0.002","90.437","0.002","3278.1","0.6","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C132 H138 Ag10 Cu2 O2 P2 -","- C132 H138 Ag10 Cu2 O2 P2 -","- C132 H138 Ag10 Cu2 O2 P2 -","1","0.5","","Hau, Sam C. K.; Yeung, Margaret C.-L.; Yam, Vivian W.-W.; Mak, Thomas C. W.","Assembly of Heterometallic Silver(I)-Copper(I) Alkyl-1,3-diynyl Clusters via Inner-Core Expansion.","Journal of the American Chemical Society","2016","138","41","13732","13739","10.1021/jacs.6b08674","","","0.71073","MoKα","","0.0748","0.0705","","","0.1908","0.2008","","","","","","1.072","","","","has coordinates","241331","2020-10-21","18:00:00",""
"4131021","19.3944","0.0014","19.4536","0.0013","29.451","0.002","78.671","0.001","71.197","0.002","75.615","0.001","10106.4","1.2","173","","173.15","","","","","","","","","7","P -1","-P 1","2","","","","- C416 H440 Ag20 Cu7 F18 O8 P15 -","- C416 H380 Ag20 Cu7 F18 O8 P15 -","- C416 H380 Ag20 Cu7 F18 O8 P15 -","1","0.5","","Hau, Sam C. K.; Yeung, Margaret C.-L.; Yam, Vivian W.-W.; Mak, Thomas C. W.","Assembly of Heterometallic Silver(I)-Copper(I) Alkyl-1,3-diynyl Clusters via Inner-Core Expansion.","Journal of the American Chemical Society","2016","138","41","13732","13739","10.1021/jacs.6b08674","","","0.71073","MoKα","","0.1053","0.078","","","0.2047","0.239","","","","","","1.033","","","","has coordinates","241331","2020-10-21","18:00:00",""
"4131022","14.653","0.002","12.2834","0.0016","14.7811","0.0019","90","","99.5679","0.0019","90","","2623.4","0.6","93","2","93","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C23 H45 Bi Si2 -","- C23 H45 Bi Si2 -","- C92 H180 Bi4 Si8 -","4","1","","Ishii, Takuya; Suzuki, Katsunori; Nakamura, Taichi; Yamashita, Makoto","An Isolable Bismabenzene: Synthesis, Structure, and Reactivity.","Journal of the American Chemical Society","2016","138","39","12787","12790","10.1021/jacs.6b08714","","","0.71075","MoKα","","0.0391","0.0303","","","0.069","0.0716","","","","","","1.035","","","","has coordinates","241332","2020-10-21","18:00:00",""
"4131023","12.556","0.007","26.674","0.015","8.038","0.004","90","","90","","90","","2692","3","93","2","93","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C23 H46 Bi Cl Si2 -","- C23 H46 Bi Cl Si2 -","- C92 H184 Bi4 Cl4 Si8 -","4","0.5","","Ishii, Takuya; Suzuki, Katsunori; Nakamura, Taichi; Yamashita, Makoto","An Isolable Bismabenzene: Synthesis, Structure, and Reactivity.","Journal of the American Chemical Society","2016","138","39","12787","12790","10.1021/jacs.6b08714","","","0.71075","MoKα","","0.0467","0.0385","","","0.0868","0.0911","","","","","","1.099","","","","has coordinates","241332","2020-10-21","18:00:00",""
"4131024","8.0332","0.0012","16.222","0.002","25.418","0.004","90","","95.791","0.002","90","","3295.4","0.8","93","2","93","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C29 H51 Bi O4 Si2 -","- C29 H51 Bi O4 Si2 -","- C116 H204 Bi4 O16 Si8 -","4","1","","Ishii, Takuya; Suzuki, Katsunori; Nakamura, Taichi; Yamashita, Makoto","An Isolable Bismabenzene: Synthesis, Structure, and Reactivity.","Journal of the American Chemical Society","2016","138","39","12787","12790","10.1021/jacs.6b08714","","","0.71075","MoKα","","0.0694","0.0571","","","0.1971","0.2032","","","","","","1.101","","","","has coordinates","241332","2020-10-21","18:00:00",""
"4131025","32.1397","0.0007","32.1397","0.0007","16.6976","0.0004","90","","90","","120","","14937.2","0.6","296","2","296","2","","","","","","","","5","P 6/m m m","-P 6 2","191","","","","- C144 H72 Co9 N12 O35 -","- C144 H72 Co9 N12 O35 -","- C144 H72 Co9 N12 O35 -","1","0.0416667","","Liu, Qi; Cong, Hengjiang; Deng, Hexiang","Deciphering the Spatial Arrangement of Metals and Correlation to Reactivity in Multivariate Metal-Organic Frameworks.","Journal of the American Chemical Society","2016","138","42","13822","13825","10.1021/jacs.6b08724","","","1.54178","CuKα","","0.0909","0.0708","","","0.2053","0.2271","","","","","","1.063","","","","has coordinates","241333","2020-10-21","18:00:00",""
"4131026","31.963","0.003","31.963","0.003","16.7135","0.0016","90","","90","","120","","14787","2","296","2","296","2","","","","","","","","6","P 6/m m m","-P 6 2","191","","","","- C144 H72 Co4.8 N12 Ni4.2 O35 -","- C144 H72 Co4.8 N12 Ni4.2 O35 -","- C144 H72 Co4.8 N12 Ni4.2 O35 -","1","0.0416667","","Liu, Qi; Cong, Hengjiang; Deng, Hexiang","Deciphering the Spatial Arrangement of Metals and Correlation to Reactivity in Multivariate Metal-Organic Frameworks.","Journal of the American Chemical Society","2016","138","42","13822","13825","10.1021/jacs.6b08724","","","1.54178","CuKα","","0.1686","0.1526","","","0.4214","0.4375","","","","","","1.899","","","","has coordinates","241334","2020-10-21","18:00:00",""
"4131027","31.7402","0.0014","31.7402","0.0014","16.7689","0.0009","90","","90","","120","","14630.3","1.2","296","2","296","2","","","","","","","","6","P 6/m m m","-P 6 2","191","","","","- C144 H72 Co3 N12 Ni6 O35 -","- C144 H72 Co3 N12 Ni6 O35 -","- C144 H72 Co3 N12 Ni6 O35 -","1","0.0416667","","Liu, Qi; Cong, Hengjiang; Deng, Hexiang","Deciphering the Spatial Arrangement of Metals and Correlation to Reactivity in Multivariate Metal-Organic Frameworks.","Journal of the American Chemical Society","2016","138","42","13822","13825","10.1021/jacs.6b08724","","","1.54178","CuKα","","0.0902","0.072","","","0.2042","0.2255","","","","","","1.075","","","","has coordinates","241335","2020-10-21","18:00:00",""
"4131028","32.032","0.002","32.032","0.002","16.7024","0.0012","90","","90","","120","","14841.5","1.7","296","2","296","2","","","","","","","","6","P 6/m m m","-P 6 2","191","","","","- C144 H72 Co3 Mg6 N12 O35 -","- C144 H72 Co3 Mg6 N12 O35 -","- C144 H72 Co3 Mg6 N12 O35 -","1","0.0416667","","Liu, Qi; Cong, Hengjiang; Deng, Hexiang","Deciphering the Spatial Arrangement of Metals and Correlation to Reactivity in Multivariate Metal-Organic Frameworks.","Journal of the American Chemical Society","2016","138","42","13822","13825","10.1021/jacs.6b08724","","","1.54178","CuKα","","0.1316","0.1053","","","0.3135","0.3337","","","","","","1.279","","","","has coordinates","241336","2020-10-21","18:00:00",""
"4131029","31.4689","0.001","31.4689","0.001","16.8714","0.0006","90","","90","","120","","14469.2","0.8","296","2","296","2","","","","","","","","7","P 6/m m m","-P 6 2","191","","","","- C144 H72 Co3 Fe3 N12 Ni3 O35 -","- C144 H72 Co3 Fe3 N12 Ni3 O35 -","- C144 H72 Co3 Fe3 N12 Ni3 O35 -","1","0.0416667","","Liu, Qi; Cong, Hengjiang; Deng, Hexiang","Deciphering the Spatial Arrangement of Metals and Correlation to Reactivity in Multivariate Metal-Organic Frameworks.","Journal of the American Chemical Society","2016","138","42","13822","13825","10.1021/jacs.6b08724","","","1.54178","CuKα","","0.2209","0.1806","","","0.4663","0.4931","","","","","","2.021","","","","has coordinates","241337","2020-10-21","18:00:00",""
"4131030","32.032","0.002","32.032","0.002","16.7024","0.0012","90","","90","","120","","14841.5","1.7","296","2","296","2","","","","","","","","6","P 6/m m m","-P 6 2","191","","","","- C144 H72 Co3 Mg6 N12 O36.54 -","- C144 H72 Co3 Mg6 N12 O36.64 -","- C144 H72 Co3 Mg6 N12 O36.64 -","1","0.0416667","","Liu, Qi; Cong, Hengjiang; Deng, Hexiang","Deciphering the Spatial Arrangement of Metals and Correlation to Reactivity in Multivariate Metal-Organic Frameworks.","Journal of the American Chemical Society","2016","138","42","13822","13825","10.1021/jacs.6b08724","","","1.54178","CuKα","","0.2098","0.1764","","","0.4143","0.4377","","","","","","1.718","","","","has coordinates","241338","2020-10-21","18:00:00",""
"4131031","31.35","0.002","31.35","0.002","16.9103","0.0011","90","","90","","120","","14393.2","1.6","296","2","296","2","","","","","","","","6","P 6/m m m","-P 6 2","191","","","","- C144 H72 Co3 Fe6 N12 O37 -","- C144 H72 Co3 Fe6 N12 O37 -","- C144 H72 Co3 Fe6 N12 O37 -","1","0.0416667","","Liu, Qi; Cong, Hengjiang; Deng, Hexiang","Deciphering the Spatial Arrangement of Metals and Correlation to Reactivity in Multivariate Metal-Organic Frameworks.","Journal of the American Chemical Society","2016","138","42","13822","13825","10.1021/jacs.6b08724","","","1.54178","CuKα","","0.2269","0.1848","","","0.4234","0.4482","","","","","","1.708","","","","has coordinates","241339","2020-10-21","18:00:00",""
"4131032","31.35","0.002","31.35","0.002","16.9103","0.0011","90","","90","","120","","14393.2","1.6","296","2","296","2","","","","","","","","6","P 6/m m m","-P 6 2","191","","","","- C144 H72 Co3 Fe6 N12 O35 -","- C144 H72 Co3 Fe6 N12 O35 -","- C144 H72 Co3 Fe6 N12 O35 -","1","0.0416667","","Liu, Qi; Cong, Hengjiang; Deng, Hexiang","Deciphering the Spatial Arrangement of Metals and Correlation to Reactivity in Multivariate Metal-Organic Frameworks.","Journal of the American Chemical Society","2016","138","42","13822","13825","10.1021/jacs.6b08724","","","1.54178","CuKα","","0.1055","0.078","","","0.2345","0.2623","","","","","","0.997","","","","has coordinates","241340","2020-10-21","18:00:00",""
"4131033","31.848","0.008","31.848","0.008","16.883","0.005","90","","90","","120","","14830","7","293","2","293","2","","","","","","","","5","P 6/m m m","-P 6 2","191","","","","- C72 H39 Mg3 N6 O16 -","- C72 H39 Mg3 N6 O16 -","- C144 H78 Mg6 N12 O32 -","2","0.0833333","","Liu, Qi; Cong, Hengjiang; Deng, Hexiang","Deciphering the Spatial Arrangement of Metals and Correlation to Reactivity in Multivariate Metal-Organic Frameworks.","Journal of the American Chemical Society","2016","138","42","13822","13825","10.1021/jacs.6b08724","","","0.71073","synchrotron","","0.1427","0.1214","","","0.3293","0.3516","","","","","","1.327","","","","has coordinates","241341","2020-10-21","18:00:00",""
"4131034","31.848","0.008","31.848","0.008","16.883","0.005","90","","90","","120","","14830","7","","","","","","","","","","","","5","P 6/m m m","-P 6 2","191","","","","- C72 H39 Mg3 N6 O17.83 -","- C72 H39 Mg3 N6 O17.84 -","- C144 H78 Mg6 N12 O35.68 -","2","0.0833333","","Liu, Qi; Cong, Hengjiang; Deng, Hexiang","Deciphering the Spatial Arrangement of Metals and Correlation to Reactivity in Multivariate Metal-Organic Frameworks.","Journal of the American Chemical Society","2016","138","42","13822","13825","10.1021/jacs.6b08724","","","","","","0.229","","","","","","","","","","","","","","","has coordinates","241342","2020-10-21","18:00:00",""
"4131035","32.1397","0.0007","32.1397","0.0007","16.6976","0.0004","90","","90","","120","","14937.2","0.6","296","2","296","2","","","","","","","","5","P 6/m m m","-P 6 2","191","","","","- C144 H72 Co9 N12 O36.56 -","- C144 H72 Co9 N12 O36.56 -","- C144 H72 Co9 N12 O36.56 -","1","0.0416667","","Liu, Qi; Cong, Hengjiang; Deng, Hexiang","Deciphering the Spatial Arrangement of Metals and Correlation to Reactivity in Multivariate Metal-Organic Frameworks.","Journal of the American Chemical Society","2016","138","42","13822","13825","10.1021/jacs.6b08724","","","1.54178","CuKα","","0.1808","0.153","","","0.3758","0.4072","","","","","","1.681","","","","has coordinates","241343","2020-10-21","18:00:00",""
"4131036","32.4771","0.0003","32.4771","0.0003","16.7559","0.0002","90","","90","","120","","15305.7","0.3","296","2","296","2","","","","","","","","6","P 6/m m m","-P 6 2","191","","","","- C144 H72 Co3 Mn6 N12 O39.45 -","- C144 H72 Co3 Mn6 N12 O39.48 -","- C144 H72 Co3 Mn6 N12 O39.48 -","1","0.0416667","","Liu, Qi; Cong, Hengjiang; Deng, Hexiang","Deciphering the Spatial Arrangement of Metals and Correlation to Reactivity in Multivariate Metal-Organic Frameworks.","Journal of the American Chemical Society","2016","138","42","13822","13825","10.1021/jacs.6b08724","","","1.54178","CuKα","","0.1731","0.1458","","","0.3581","0.3899","","","","","","1.568","","","","has coordinates","241344","2020-10-21","18:00:00",""
"4131037","31.7402","0.0014","31.7402","0.0014","16.7689","0.0009","90","","90","","120","","14630.3","1.2","296","2","296","2","","","","","","","","6","P 6/m m m","-P 6 2","191","","","","- C144 H72 Co3 N12 Ni6 O38.35 -","- C144 H72 Co3 N12 Ni6 O38.36 -","- C144 H72 Co3 N12 Ni6 O38.36 -","1","0.0416667","","Liu, Qi; Cong, Hengjiang; Deng, Hexiang","Deciphering the Spatial Arrangement of Metals and Correlation to Reactivity in Multivariate Metal-Organic Frameworks.","Journal of the American Chemical Society","2016","138","42","13822","13825","10.1021/jacs.6b08724","","","1.54178","CuKα","","0.1849","0.1586","","","0.3819","0.4138","","","","","","1.679","","","","has coordinates","241345","2020-10-21","18:00:00",""
"4131038","32.4771","0.0003","32.4771","0.0003","16.7559","0.0002","90","","90","","120","","15305.7","0.3","296","2","296","2","","","","","","","","6","P 6/m m m","-P 6 2","191","","","","- C144 H72 Co3 Mn6 N12 O38 -","- C144 H72 Co3 Mn6 N12 O38 -","- C144 H72 Co3 Mn6 N12 O38 -","1","0.0416667","","Liu, Qi; Cong, Hengjiang; Deng, Hexiang","Deciphering the Spatial Arrangement of Metals and Correlation to Reactivity in Multivariate Metal-Organic Frameworks.","Journal of the American Chemical Society","2016","138","42","13822","13825","10.1021/jacs.6b08724","","","1.54178","CuKα","","0.1204","0.0954","","","0.2985","0.3245","","","","","","1.286","","","","has coordinates","241346","2020-10-21","18:00:00",""
"4131039","5.78299","0.00006","12.5407","0.00014","17.36504","0.00015","90","","90","","90","","1259.36","0.02","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H17 N O -","- C16 H17 N O -","- C64 H68 N4 O4 -","4","1","","Cai, Aijie; Guo, Wusheng; Martínez-Rodríguez, Luis; Kleij, Arjan W.","Palladium-Catalyzed Regio- and Enantioselective Synthesis of Allylic Amines Featuring Tetrasubstituted Tertiary Carbons.","Journal of the American Chemical Society","2016","138","43","14194","14197","10.1021/jacs.6b08841","","","0.7107","MoKα","","0.0278","0.026","","","0.0787","0.0796","","","","","","1.109","","","","has coordinates,has disorder","241347","2020-10-21","18:00:00",""
"4131040","13.1532","0.0007","22.9508","0.0013","7.4256","0.0004","90","","102.08","0.002","90","","2192","0.2","100","2","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C25 H23 N3 O5 Pd -","- C25 H23 N3 O5 Pd -","- C100 H92 N12 O20 Pd4 -","4","1","","Yang, Kin S.; Gurak, Jr, John A; Liu, Zhen; Engle, Keary M.","Catalytic, Regioselective Hydrocarbofunctionalization of Unactivated Alkenes with Diverse C-H Nucleophiles.","Journal of the American Chemical Society","2016","138","44","14705","14712","10.1021/jacs.6b08850","","x-ray","0.71073","MoKα","","0.045","0.0439","","","0.1009","0.1013","","","","","","1.419","","","","has coordinates,has disorder","241348","2020-10-21","18:00:00",""
"4131041","13.718","0.003","5.1398","0.0011","24.816","0.005","90","","102.657","0.006","90","","1707.2","0.6","100","","100","","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C21 H18 N2 O3 Pd -","- C21 H18 N2 O3 Pd -","- C84 H72 N8 O12 Pd4 -","4","1","","Yang, Kin S.; Gurak, Jr, John A; Liu, Zhen; Engle, Keary M.","Catalytic, Regioselective Hydrocarbofunctionalization of Unactivated Alkenes with Diverse C-H Nucleophiles.","Journal of the American Chemical Society","2016","138","44","14705","14712","10.1021/jacs.6b08850","","x-ray","0.71073","MoKα","","0.0209","0.0201","","","0.0455","0.0459","","","","","","1.088","","","","has coordinates,has disorder","241349","2020-10-21","18:00:00",""
"4131042","13.9598","0.0008","14.3552","0.0008","9.938","0.0004","90","","90.919","0.002","90","","1991.28","0.18","100","2","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C23 H26 N2 O3 -","- C23 H26 N2 O3 -","- C92 H104 N8 O12 -","4","1","","Yang, Kin S.; Gurak, Jr, John A; Liu, Zhen; Engle, Keary M.","Catalytic, Regioselective Hydrocarbofunctionalization of Unactivated Alkenes with Diverse C-H Nucleophiles.","Journal of the American Chemical Society","2016","138","44","14705","14712","10.1021/jacs.6b08850","","x-ray","0.71073","MoKα","","0.0712","0.0469","","","0.1048","0.1186","","","","","","1.019","","","","has coordinates","241350","2020-10-21","18:00:00",""
"4131043","13.7635","0.0004","6.7495","0.0002","24.5387","0.0007","90","","99.39","0.001","90","","2249.02","0.11","100","2","100","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C25 H22 N2 O4 -","- C25 H22 N2 O4 -","- C100 H88 N8 O16 -","4","1","","Yang, Kin S.; Gurak, Jr, John A; Liu, Zhen; Engle, Keary M.","Catalytic, Regioselective Hydrocarbofunctionalization of Unactivated Alkenes with Diverse C-H Nucleophiles.","Journal of the American Chemical Society","2016","138","44","14705","14712","10.1021/jacs.6b08850","","x-ray","1.54178","CuKα","","0.0686","0.0654","","","0.1623","0.1645","","","","","","1.092","","","","has coordinates,has disorder","241351","2020-10-21","18:00:00",""
"4131044","16.096","0.003","8.1863","0.0017","17.391","0.004","90","","115.597","0.003","90","","2066.7","0.7","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2-(diphenylphosphaneyl)-N-(2-formylphenyl)benzamide","","- C26 H20 N O2 P -","- C26 H20 N O2 P -","- C104 H80 N4 O8 P4 -","4","1","","De Los Santos, Zeus A.; Wolf, Christian","Chiroptical Asymmetric Reaction Screening via Multicomponent Self-Assembly.","Journal of the American Chemical Society","2016","138","41","13517","13520","10.1021/jacs.6b08892","","x-ray","0.71073","MoKα","","0.0381","0.0353","","","0.0913","0.0929","","","","","","1.033","","","","has coordinates","241352","2020-10-21","18:00:00",""
"4131045","15.7448","0.0005","16.7714","0.0005","17.6503","0.0005","90","","93.892","0.001","90","","4650","0.2","150","1","150","1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","jl072","","","- C56 H53 Fe Ni O P2 -","- C56 H53 Fe Ni O P2 -","- C224 H212 Fe4 Ni4 O4 P8 -","4","1","","Staudaher, Nicholas D.; Arif, Atta M.; Louie, Janis","Synergy between Experimental and Computational Chemistry Reveals the Mechanism of Decomposition of Nickel-Ketene Complexes.","Journal of the American Chemical Society","2016","138","42","14083","14091","10.1021/jacs.6b08897","","","0.71073","MoKα","","0.0495","0.037","","","0.0938","0.1022","","","","","","1.038","","","","has coordinates","241353","2020-10-21","18:00:00",""
"4131046","10.8021","0.0007","19.9889","0.0013","18.0037","0.0013","90","","107.071","0.004","90","","3716.1","0.4","150","1","150","1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","jl076","","","- C46 H42 Fe Ni O P2 -","- C46 H42 Fe Ni O P2 -","- C184 H168 Fe4 Ni4 O4 P8 -","4","1","","Staudaher, Nicholas D.; Arif, Atta M.; Louie, Janis","Synergy between Experimental and Computational Chemistry Reveals the Mechanism of Decomposition of Nickel-Ketene Complexes.","Journal of the American Chemical Society","2016","138","42","14083","14091","10.1021/jacs.6b08897","","","0.71073","MoKα","","0.0419","0.0308","","","0.077","0.0811","","","","","","1.065","","","","has coordinates","241354","2020-10-21","18:00:00",""
"4131047","10.9483","0.0001","19.3974","0.0002","18.579","0.0003","90","","106.706","0.0007","90","","3779.07","0.08","150","1","150","1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C48 H38 Fe Ni O P2 -","- C48 H38 Fe Ni O P2 -","- C192 H152 Fe4 Ni4 O4 P8 -","4","1","","Staudaher, Nicholas D.; Arif, Atta M.; Louie, Janis","Synergy between Experimental and Computational Chemistry Reveals the Mechanism of Decomposition of Nickel-Ketene Complexes.","Journal of the American Chemical Society","2016","138","42","14083","14091","10.1021/jacs.6b08897","","","0.71073","MoKα","","0.0562","0.0347","","","0.0775","0.0847","","","","","","1.051","","","","has coordinates","241355","2020-10-21","18:00:00",""
"4131048","12.9031","0.0005","23.5457","0.0009","14.1418","0.0004","90","","99.891","0.002","90","","4232.6","0.3","150","1","150","1","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","'This is a disordered structure with high R-factor' 'due to an imposed 2-fold symmetry along Fe-Ni line'","","- C46 H42 Fe Ni O P2 -","- C46 H42 Fe Ni O P2 -","- C184 H168 Fe4 Ni4 O4 P8 -","4","0.5","","Staudaher, Nicholas D.; Arif, Atta M.; Louie, Janis","Synergy between Experimental and Computational Chemistry Reveals the Mechanism of Decomposition of Nickel-Ketene Complexes.","Journal of the American Chemical Society","2016","138","42","14083","14091","10.1021/jacs.6b08897","","","0.71069","MoKα","","0.1064","0.085","","","0.2244","0.235","","","","","","1.171","","","","has coordinates,has disorder","241356","2020-10-21","18:00:00",""
"4131049","10.8518","0.0003","20.0649","0.0006","18.0547","0.0005","90","","107.142","0.001","90","","3756.6","0.19","150","1","150","1","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","jl074","","","- C46 H41 F Fe Ni O P2 -","- C46 H41 F Fe Ni O P2 -","- C184 H164 F4 Fe4 Ni4 O4 P8 -","4","1","","Staudaher, Nicholas D.; Arif, Atta M.; Louie, Janis","Synergy between Experimental and Computational Chemistry Reveals the Mechanism of Decomposition of Nickel-Ketene Complexes.","Journal of the American Chemical Society","2016","138","42","14083","14091","10.1021/jacs.6b08897","","","0.71073","MoKα","","0.0403","0.0302","","","0.0738","0.0785","","","","","","1.054","","","","has coordinates","241357","2020-10-21","18:00:00",""
"4131050","10.8641","0.0004","19.3805","0.0006","18.5952","0.0006","90","","106.661","0.002","90","","3750.9","0.2","150","1","150","1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","jl071","","","- C46 H42 Fe Ni O P2 -","- C46 H42 Fe Ni O P2 -","- C184 H168 Fe4 Ni4 O4 P8 -","4","1","","Staudaher, Nicholas D.; Arif, Atta M.; Louie, Janis","Synergy between Experimental and Computational Chemistry Reveals the Mechanism of Decomposition of Nickel-Ketene Complexes.","Journal of the American Chemical Society","2016","138","42","14083","14091","10.1021/jacs.6b08897","","","0.71073","MoKα","","0.0484","0.0338","","","0.081","0.0871","","","","","","1.031","","","","has coordinates,has disorder","241358","2020-10-21","18:00:00",""
"4131051","21.2078","0.0016","5.8592","0.0004","18.1652","0.0013","90","","100.455","0.002","90","","2219.7","0.3","147","2","147","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C29 H23 N O S -","- C29 H23 N O S -","- C116 H92 N4 O4 S4 -","4","1","","Le, Christine M.; Sperger, Theresa; Fu, Rui; Hou, Xiao; Lim, Yong Hwan; Schoenebeck, Franziska; Lautens, Mark","Stereoselective Synthesis of Methylene Oxindoles via Palladium(II)-Catalyzed Intramolecular Cross-Coupling of Carbamoyl Chlorides.","Journal of the American Chemical Society","2016","138","43","14441","14448","10.1021/jacs.6b08925","","","0.71073","MoKα","","0.0545","0.0393","","","0.0904","0.098","","","","","","1.05","","","","has coordinates","241359","2020-10-21","18:00:00",""
"4131052","9.412","0.0007","10.3695","0.0008","17.6799","0.0011","90","","98.188","0.005","90","","1707.9","0.2","147","2","147","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C22 H15 Cl F N O -","- C22 H15 Cl F N O -","- C88 H60 Cl4 F4 N4 O4 -","4","1","","Le, Christine M.; Sperger, Theresa; Fu, Rui; Hou, Xiao; Lim, Yong Hwan; Schoenebeck, Franziska; Lautens, Mark","Stereoselective Synthesis of Methylene Oxindoles via Palladium(II)-Catalyzed Intramolecular Cross-Coupling of Carbamoyl Chlorides.","Journal of the American Chemical Society","2016","138","43","14441","14448","10.1021/jacs.6b08925","","","1.54178","CuKα","","0.0546","0.0407","","","0.1032","0.1137","","","","","","1.011","","","","has coordinates","241360","2020-10-21","18:00:00",""
"4131053","12.0485","0.0003","19.1202","0.0005","5.4934","0.0001","90","","90","","90","","1265.51","0.05","147","2","147","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C16 H12 Cl N O -","- C16 H12 Cl N O -","- C64 H48 Cl4 N4 O4 -","4","1","","Le, Christine M.; Sperger, Theresa; Fu, Rui; Hou, Xiao; Lim, Yong Hwan; Schoenebeck, Franziska; Lautens, Mark","Stereoselective Synthesis of Methylene Oxindoles via Palladium(II)-Catalyzed Intramolecular Cross-Coupling of Carbamoyl Chlorides.","Journal of the American Chemical Society","2016","138","43","14441","14448","10.1021/jacs.6b08925","","","1.54178","CuKα","","0.0216","0.0213","","","0.0553","0.0555","","","","","","1.098","","","","has coordinates","241361","2020-10-21","18:00:00",""
"4131054","20.878","0.003","11.7961","0.0013","21.677","0.003","90","","110.666","0.005","90","","4995.1","1.2","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C58 H65 N5 O4 -","- C58 H65 N5 O4 -","- C232 H260 N20 O16 -","4","1","","Lewis, James E. M.; Winn, Joby; Cera, Luca; Goldup, Stephen M.","Iterative Synthesis of Oligo[n]rotaxanes in Excellent Yield.","Journal of the American Chemical Society","2016","138","50","16329","16336","10.1021/jacs.6b08958","","","1.54178","CuKα","","0.1121","0.0542","","","0.1239","0.1484","","","","","","0.981","","","","has coordinates,has disorder","241362","2020-10-21","18:00:00",""
"4131055","21.3026","0.0018","12.766","0.0009","19.7821","0.001","90","","104.617","0.007","90","","5205.6","0.7","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C60 H69 N5 O2 -","- C60 H69 N5 O2 -","- C240 H276 N20 O8 -","4","1","","Lewis, James E. M.; Winn, Joby; Cera, Luca; Goldup, Stephen M.","Iterative Synthesis of Oligo[n]rotaxanes in Excellent Yield.","Journal of the American Chemical Society","2016","138","50","16329","16336","10.1021/jacs.6b08958","","","1.54184","CuKα","","0.1702","0.1243","","","0.3919","0.4787","","","","","","1.779","","","","has coordinates,has disorder","241363","2020-10-21","18:00:00",""
"4131056","46.195","0.001","48.069","0.001","25.6424","0.0008","90","","90","","90","","56940","2","100","0.1","100","0.1","","","","","","","","6","C c c 2","C 2 -2c","37","","","","- C472 H466 Ag67 B3 P8 S32 -","- C448 H446 Ag67 B2 P8 S32 -","- C1792 H1784 Ag268 B8 P32 S128 -","4","0.5","","Alhilaly, Mohammad J.; Bootharaju, Megalamane S.; Joshi, Chakra P.; Besong, Tabot M.; Emwas, Abdul-Hamid; Juarez-Mosqueda, Rosalba; Kaappa, Sami; Malola, Sami; Adil, Karim; Shkurenko, Aleksander; Häkkinen, Hannu; Eddaoudi, Mohamed; Bakr, Osman M.","[Ag<sub>67</sub>(SPhMe<sub>2</sub>)<sub>32</sub>(PPh<sub>3</sub>)<sub>8</sub>]<sup>3+</sup>: Synthesis, Total Structure, and Optical Properties of a Large Box-Shaped Silver Nanocluster.","Journal of the American Chemical Society","2016","138","44","14727","14732","10.1021/jacs.6b09007","","","1.54178","CuKα","","0.0608","0.0544","","","0.1443","0.1518","","","","","","1.066","","","","has coordinates","241364","2020-10-21","18:00:00",""
"4131057","19.791","0.002","15.4136","0.0013","19.804","0.0019","90","","99.842","0.01","90","","5952.3","1","140","0.1","140","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C66 H82 N8 O -","- C66 H82 N8 O -","- C264 H328 N32 O4 -","4","1","","Eymann, Léonard Y M; Tskhovrebov, Alexander G.; Sienkiewicz, Andrzej; Bila, José L; Živković, Ivica; Rønnow, Henrik M; Wodrich, Matthew D.; Vannay, Laurent; Corminboeuf, Clémence; Pattison, Philip; Solari, Euro; Scopelliti, Rosario; Severin, Kay","Neutral Aminyl Radicals Derived from Azoimidazolium Dyes.","Journal of the American Chemical Society","2016","138","46","15126","15129","10.1021/jacs.6b09124","","x-ray","1.54184","CuKα","","0.1494","0.0756","","","0.1915","0.2383","","","","","","0.981","","","","has coordinates","241365","2020-10-21","18:00:00",""
"4131058","24.935","0.0019","11.6577","0.0005","34.387","0.003","90","","98.459","0.008","90","","9887","1.2","140.01","0.11","140.01","0.11","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","","","- C110 H112 B2 N8 -","- C110 H112 B2 N8 -","- C440 H448 B8 N32 -","4","0.5","","Eymann, Léonard Y M; Tskhovrebov, Alexander G.; Sienkiewicz, Andrzej; Bila, José L; Živković, Ivica; Rønnow, Henrik M; Wodrich, Matthew D.; Vannay, Laurent; Corminboeuf, Clémence; Pattison, Philip; Solari, Euro; Scopelliti, Rosario; Severin, Kay","Neutral Aminyl Radicals Derived from Azoimidazolium Dyes.","Journal of the American Chemical Society","2016","138","46","15126","15129","10.1021/jacs.6b09124","","x-ray","1.54184","CuKα","","0.1783","0.0905","","","0.2568","0.3336","","","","","","1.026","","","","has coordinates,has disorder","241366","2020-10-21","18:00:00",""
"4131059","9.6841","0.0019","15.453","0.002","15.8836","0.0017","77.416","0.012","84.584","0.01","80.701","0.014","2285","0.6","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C27 H29 N4 -","- C27 H29 N4 -","- C108 H116 N16 -","4","2","","Eymann, Léonard Y M; Tskhovrebov, Alexander G.; Sienkiewicz, Andrzej; Bila, José L; Živković, Ivica; Rønnow, Henrik M; Wodrich, Matthew D.; Vannay, Laurent; Corminboeuf, Clémence; Pattison, Philip; Solari, Euro; Scopelliti, Rosario; Severin, Kay","Neutral Aminyl Radicals Derived from Azoimidazolium Dyes.","Journal of the American Chemical Society","2016","138","46","15126","15129","10.1021/jacs.6b09124","","","0.71073","MoKα","","0.1295","0.0674","","","0.1248","0.1545","","","","","","1.079","","","","has coordinates","241367","2020-10-21","18:00:00",""
"4131060","14.7646","0.0004","14.5195","0.0003","25.3268","0.0004","90","","90.462","0.002","90","","5429.2","0.2","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C27 H29 B F4 N4 -","- C27 H29 B F4 N4 -","- C216 H232 B8 F32 N32 -","8","1","","Eymann, Léonard Y M; Tskhovrebov, Alexander G.; Sienkiewicz, Andrzej; Bila, José L; Živković, Ivica; Rønnow, Henrik M; Wodrich, Matthew D.; Vannay, Laurent; Corminboeuf, Clémence; Pattison, Philip; Solari, Euro; Scopelliti, Rosario; Severin, Kay","Neutral Aminyl Radicals Derived from Azoimidazolium Dyes.","Journal of the American Chemical Society","2016","138","46","15126","15129","10.1021/jacs.6b09124","","","0.715","synchrotron","","0.0605","0.0594","","","0.1493","0.1499","","","","","","1.149","","","","has coordinates","241368","2020-10-21","18:00:00",""
"4131061","20.761","0.004","14.769","0.003","21.005","0.004","90","","93.28","0.03","90","","6430","2","100","2","100","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C31 H37 N4 -","- C31 H37 N4 -","- C248 H296 N32 -","8","1","","Eymann, Léonard Y M; Tskhovrebov, Alexander G.; Sienkiewicz, Andrzej; Bila, José L; Živković, Ivica; Rønnow, Henrik M; Wodrich, Matthew D.; Vannay, Laurent; Corminboeuf, Clémence; Pattison, Philip; Solari, Euro; Scopelliti, Rosario; Severin, Kay","Neutral Aminyl Radicals Derived from Azoimidazolium Dyes.","Journal of the American Chemical Society","2016","138","46","15126","15129","10.1021/jacs.6b09124","","","0.71073","MoKα","","0.1134","0.0736","","","0.1959","0.2202","","","","","","1.107","","","","has coordinates","241369","2020-10-21","18:00:00",""
"4131062","7.5879","0.0002","8.258","0.0003","30.4025","0.0009","86.541","0.003","88.545","0.002","85.128","0.003","1894.31","0.1","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C39 H38 Cl2 N6 Pd2 S -","- C39 H38 Cl2 N6 Pd2 S -","- C78 H76 Cl4 N12 Pd4 S2 -","2","1","","Mikherdov, Alexander S.; Kinzhalov, Mikhail A.; Novikov, Alexander S.; Boyarskiy, Vadim P.; Boyarskaya, Irina A.; Dar'in, Dmitry V.; Starova, Galina L.; Kukushkin, Vadim Yu","Difference in Energy between Two Distinct Types of Chalcogen Bonds Drives Regioisomerization of Binuclear (Diaminocarbene)Pd<sup>II</sup> Complexes.","Journal of the American Chemical Society","2016","138","42","14129","14137","10.1021/jacs.6b09133","","","1.5418","CuKα","","0.0724","0.0601","","","0.1448","0.1517","","","","","","1.108","","","","has coordinates","241370","2020-10-21","18:00:00",""
"4131063","7.63334","0.00015","8.1545","0.0002","30.237","0.0006","86.418","0.0018","87.4633","0.0016","84.4809","0.0019","1868.36","0.07","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C38 H37 Cl2 N7 Pd2 S -","- C38 H37 Cl2 N7 Pd2 S -","- C76 H74 Cl4 N14 Pd4 S2 -","2","1","","Mikherdov, Alexander S.; Kinzhalov, Mikhail A.; Novikov, Alexander S.; Boyarskiy, Vadim P.; Boyarskaya, Irina A.; Dar'in, Dmitry V.; Starova, Galina L.; Kukushkin, Vadim Yu","Difference in Energy between Two Distinct Types of Chalcogen Bonds Drives Regioisomerization of Binuclear (Diaminocarbene)Pd<sup>II</sup> Complexes.","Journal of the American Chemical Society","2016","138","42","14129","14137","10.1021/jacs.6b09133","","","0.71073","MoKα","","0.0358","0.0313","","","0.0751","0.0773","","","","","","1.065","","","","has coordinates","241370","2020-10-21","18:00:00",""
"4131064","13.7979","0.0006","20.6001","0.001","15.3163","0.0007","90","","93.916","0.004","90","","4343.3","0.3","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C90 H82 Cl4 N14 O Pd4 S2 -","- C90 H82 Cl4 N14 O Pd4 S2 -","- C180 H164 Cl8 N28 O2 Pd8 S4 -","2","0.5","","Mikherdov, Alexander S.; Kinzhalov, Mikhail A.; Novikov, Alexander S.; Boyarskiy, Vadim P.; Boyarskaya, Irina A.; Dar'in, Dmitry V.; Starova, Galina L.; Kukushkin, Vadim Yu","Difference in Energy between Two Distinct Types of Chalcogen Bonds Drives Regioisomerization of Binuclear (Diaminocarbene)Pd<sup>II</sup> Complexes.","Journal of the American Chemical Society","2016","138","42","14129","14137","10.1021/jacs.6b09133","","","0.7107","MoKα","","0.0403","0.0328","","","0.0822","0.0876","","","","","","1.074","","","","has coordinates","241370","2020-10-21","18:00:00",""
"4131065","8.07769","0.00012","19.4303","0.0003","27.7228","0.0005","90","","90.7589","0.0014","90","","4350.77","0.12","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C43 H48 Cl2 N6 O Pd2 S -","- C43 H48 Cl2 N6 O Pd2 S -","- C172 H192 Cl8 N24 O4 Pd8 S4 -","4","1","","Mikherdov, Alexander S.; Kinzhalov, Mikhail A.; Novikov, Alexander S.; Boyarskiy, Vadim P.; Boyarskaya, Irina A.; Dar'in, Dmitry V.; Starova, Galina L.; Kukushkin, Vadim Yu","Difference in Energy between Two Distinct Types of Chalcogen Bonds Drives Regioisomerization of Binuclear (Diaminocarbene)Pd<sup>II</sup> Complexes.","Journal of the American Chemical Society","2016","138","42","14129","14137","10.1021/jacs.6b09133","","","1.5418","CuKα","","0.0453","0.0391","","","0.1017","0.1061","","","","","","1.027","","","","has coordinates,has disorder","241370","2020-10-21","18:00:00",""
"4131066","8.1558","0.0003","18.5007","0.0009","27.9197","0.0011","90","","94.573","0.004","90","","4199.3","0.3","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C39 H38 Cl5 N7 Pd2 S -","- C39 H38 Cl5 N7 Pd2 S -","- C156 H152 Cl20 N28 Pd8 S4 -","4","1","","Mikherdov, Alexander S.; Kinzhalov, Mikhail A.; Novikov, Alexander S.; Boyarskiy, Vadim P.; Boyarskaya, Irina A.; Dar'in, Dmitry V.; Starova, Galina L.; Kukushkin, Vadim Yu","Difference in Energy between Two Distinct Types of Chalcogen Bonds Drives Regioisomerization of Binuclear (Diaminocarbene)Pd<sup>II</sup> Complexes.","Journal of the American Chemical Society","2016","138","42","14129","14137","10.1021/jacs.6b09133","","","0.71073","MoKα","","0.0452","0.0329","","","0.0656","0.0717","","","","","","1.075","","","","has coordinates","241370","2020-10-21","18:00:00",""
"4131067","8.09548","0.00014","19.5379","0.0003","27.0319","0.0004","90","","90","","90","","4275.6","0.12","100","0.1","100","0.1","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C40 H41 Cl4 N7 Pd2 S -","- C40 H41 Cl4 N7 Pd2 S -","- C160 H164 Cl16 N28 Pd8 S4 -","4","1","","Mikherdov, Alexander S.; Kinzhalov, Mikhail A.; Novikov, Alexander S.; Boyarskiy, Vadim P.; Boyarskaya, Irina A.; Dar'in, Dmitry V.; Starova, Galina L.; Kukushkin, Vadim Yu","Difference in Energy between Two Distinct Types of Chalcogen Bonds Drives Regioisomerization of Binuclear (Diaminocarbene)Pd<sup>II</sup> Complexes.","Journal of the American Chemical Society","2016","138","42","14129","14137","10.1021/jacs.6b09133","","","0.71073","MoKα","","0.03","0.0282","","","0.0719","0.073","","","","","","1.077","","","","has coordinates","241370","2020-10-21","18:00:00",""
"4131068","13.2909","0.0005","13.2909","0.0005","14.356","0.0006","90","","90","","90","","2535.96","0.17","298","2","298","2","","","","","","","","5","P 43 2 2","P 4cw 2c","95","","","","- C12 H4 Co D4 N4 -","- C12 H4 Co D4 N4 -","- C48 H16 Co4 D16 N16 -","4","0.5","","Taylor, Mercedes K.; Runčevski, Tomče; Oktawiec, Julia; Gonzalez, Miguel I.; Siegelman, Rebecca L.; Mason, Jarad A.; Ye, Jinxing; Brown, Craig M.; Long, Jeffrey R.","Tuning the Adsorption-Induced Phase Change in the Flexible Metal-Organic Framework Co(bdp).","Journal of the American Chemical Society","2016","138","45","15019","15026","10.1021/jacs.6b09155","","","0.7749","synchrotron","","0.03","0.027","","","0.085","0.0868","","","","","","1.149","","","","has coordinates","241371","2020-10-21","18:00:00",""
"4131069","13.2708","0.0004","13.2708","0.0004","14.3502","0.0005","90","","90","","90","","2527.27","0.14","298","2","298","2","","","","","","","","4","P 41 2 2","P 4w 2c","91","Co(bdp)","","","- C12 H8 Co N4 -","- C12 H8 Co N4 -","- C48 H32 Co4 N16 -","4","0.5","","Taylor, Mercedes K.; Runčevski, Tomče; Oktawiec, Julia; Gonzalez, Miguel I.; Siegelman, Rebecca L.; Mason, Jarad A.; Ye, Jinxing; Brown, Craig M.; Long, Jeffrey R.","Tuning the Adsorption-Induced Phase Change in the Flexible Metal-Organic Framework Co(bdp).","Journal of the American Chemical Society","2016","138","45","15019","15026","10.1021/jacs.6b09155","","","0.7749","synchrotron","","0.0329","0.0279","","","0.081","0.0836","","","","","","1.128","","","","has coordinates","241372","2020-10-21","18:00:00",""
"4131070","13.31","0.0005","13.31","0.0005","13.9569","0.0006","90","","90","","90","","2472.55","0.17","100","2","100","","","","","","","","","5","P 43 2 2","P 4cw 2c","95","Co(F-bdp)","","","- C12 H7 Co F N4 -","- C12 H7 Co F N4 -","- C48 H28 Co4 F4 N16 -","4","0.5","","Taylor, Mercedes K.; Runčevski, Tomče; Oktawiec, Julia; Gonzalez, Miguel I.; Siegelman, Rebecca L.; Mason, Jarad A.; Ye, Jinxing; Brown, Craig M.; Long, Jeffrey R.","Tuning the Adsorption-Induced Phase Change in the Flexible Metal-Organic Framework Co(bdp).","Journal of the American Chemical Society","2016","138","45","15019","15026","10.1021/jacs.6b09155","","","0.7749","synchrotron","","0.0363","0.0297","","","0.0816","0.0844","","","","","","1.116","","","","has coordinates,has disorder","241373","2020-10-21","18:00:00",""
"4131071","20.9119","0.0096","16.5299","0.0052","6.9496","0.0012","90","","98.143","0.016","90","","2378.1","1.4","298","","298","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","Co(p-F2-bdp)","","","- C12 H6 Co F2 N4 -","- C12 H6 Co F2 N4 -","- C48 H24 Co4 F8 N16 -","4","0.5","","Taylor, Mercedes K.; Runčevski, Tomče; Oktawiec, Julia; Gonzalez, Miguel I.; Siegelman, Rebecca L.; Mason, Jarad A.; Ye, Jinxing; Brown, Craig M.; Long, Jeffrey R.","Tuning the Adsorption-Induced Phase Change in the Flexible Metal-Organic Framework Co(bdp).","Journal of the American Chemical Society","2016","138","45","15019","15026","10.1021/jacs.6b09155","powder diffraction","x-ray","0.72768","synchrotron","","","","","","","","","0.018","10.12","","","","","","","has coordinates","241374","2020-10-21","18:00:00",""
"4131072","13.2891","0.0005","13.2891","0.0005","43.2262","0.0019","90","","90","","90","","7633.8","0.5","298","2","298","2","","","","","","","","5","P 43 2 2","P 4cw 2c","95","Co(o-F2-bdp)","","","- C12 H6 Co F2 N4 -","- C12 H6 Co F2 N4 -","- C144 H72 Co12 F24 N48 -","12","1.5","","Taylor, Mercedes K.; Runčevski, Tomče; Oktawiec, Julia; Gonzalez, Miguel I.; Siegelman, Rebecca L.; Mason, Jarad A.; Ye, Jinxing; Brown, Craig M.; Long, Jeffrey R.","Tuning the Adsorption-Induced Phase Change in the Flexible Metal-Organic Framework Co(bdp).","Journal of the American Chemical Society","2016","138","45","15019","15026","10.1021/jacs.6b09155","","","0.8856","synchrotron","","0.0601","0.0492","","","0.1311","0.1409","","","","","","1.066","","","","has coordinates,has disorder","241375","2020-10-21","18:00:00",""
"4131073","24.687","0.009","6.6675","0.001","7.0913","0.0026","90","","92.409","0.047","90","","1166.2","0.6","298","","298","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","Co(d4-bdp)","","","- C12 H4 Co D4 N4 -","- C12 H4 Co D4 N4 -","- C48 H16 Co4 D16 N16 -","4","0.5","","Taylor, Mercedes K.; Runčevski, Tomče; Oktawiec, Julia; Gonzalez, Miguel I.; Siegelman, Rebecca L.; Mason, Jarad A.; Ye, Jinxing; Brown, Craig M.; Long, Jeffrey R.","Tuning the Adsorption-Induced Phase Change in the Flexible Metal-Organic Framework Co(bdp).","Journal of the American Chemical Society","2016","138","45","15019","15026","10.1021/jacs.6b09155","powder diffraction","x-ray","0.72768","synchrotron","","","","","","","","","0.063","9.93","","","","","","","has coordinates","241376","2020-10-21","18:00:00",""
"4131074","13.2715","0.0005","13.2715","0.0005","14.6258","0.0006","90","","90","","90","","2576.08","0.17","298","2","298","2","","","","","","","","5","P 43","P 4cw","78","Co(p-F2-bdp)","","","- C12 H6 Co F2 N4 -","- C12 H6 Co F2 N4 -","- C48 H24 Co4 F8 N16 -","4","1","","Taylor, Mercedes K.; Runčevski, Tomče; Oktawiec, Julia; Gonzalez, Miguel I.; Siegelman, Rebecca L.; Mason, Jarad A.; Ye, Jinxing; Brown, Craig M.; Long, Jeffrey R.","Tuning the Adsorption-Induced Phase Change in the Flexible Metal-Organic Framework Co(bdp).","Journal of the American Chemical Society","2016","138","45","15019","15026","10.1021/jacs.6b09155","","","0.8856","synchrotron","","0.0393","0.0354","","","0.0909","0.0929","","","","","","1.072","","","","has coordinates","241377","2020-10-21","18:00:00",""
"4131075","24.6401","0.003","8.69621","0.0009","7.12945","0.00063","90","","90.081","0.013","90","","1527.7","0.3","298","","298","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","Co(Me2-bdp)","","","- C14 H12 Co N4 -","- C14 H12 Co N4 -","- C56 H48 Co4 N16 -","4","0.5","","Taylor, Mercedes K.; Runčevski, Tomče; Oktawiec, Julia; Gonzalez, Miguel I.; Siegelman, Rebecca L.; Mason, Jarad A.; Ye, Jinxing; Brown, Craig M.; Long, Jeffrey R.","Tuning the Adsorption-Induced Phase Change in the Flexible Metal-Organic Framework Co(bdp).","Journal of the American Chemical Society","2016","138","45","15019","15026","10.1021/jacs.6b09155","powder diffraction","x-ray","0.72768","synchrotron","","","","","","","","","0.042","7.003","","","","","","","has coordinates","241378","2020-10-21","18:00:00",""
"4131076","7.0279","0.0018","24.5205","0.0064","7.3196","0.0019","90","","111.936","0.017","90","","1170","0.5","298","","298","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Co(d4-bdp)","","","- C12 H6 Co F2 N4 -","- C12 H6 Co F2 N4 -","- C48 H24 Co4 F8 N16 -","4","1","","Taylor, Mercedes K.; Runčevski, Tomče; Oktawiec, Julia; Gonzalez, Miguel I.; Siegelman, Rebecca L.; Mason, Jarad A.; Ye, Jinxing; Brown, Craig M.; Long, Jeffrey R.","Tuning the Adsorption-Induced Phase Change in the Flexible Metal-Organic Framework Co(bdp).","Journal of the American Chemical Society","2016","138","45","15019","15026","10.1021/jacs.6b09155","powder diffraction","x-ray","0.72768","synchrotron","","","","","","","","","0.035","8.07","","","","","","","has coordinates","241379","2020-10-21","18:00:00",""
"4131077","16.9384","0.0006","16.7454","0.0006","21.4073","0.0008","90","","90.571","0.001","90","","6071.7","0.4","100","2","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C37 H32 N4 O3 S -","- C37 H32 N4 O3 S -","- C296 H256 N32 O24 S8 -","8","2","","Liu, Zhen; Zeng, Tian; Yang, Kin S.; Engle, Keary M.","β,γ-Vicinal Dicarbofunctionalization of Alkenyl Carbonyl Compounds via Directed Nucleopalladation.","Journal of the American Chemical Society","2016","138","46","15122","15125","10.1021/jacs.6b09170","","x-ray","0.71073","MoKα","","0.0753","0.0513","","","0.1286","0.1452","","","","","","1.024","","","","has coordinates","241380","2020-10-21","18:00:00",""
"4131078","11.1383","0.0004","25.3721","0.0009","12.0025","0.0004","90","","116.124","0.002","90","","3045.42","0.19","100","","100","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C37.5 H34 Cl N3 O -","- C37.5 H34 Cl N3 O -","- C150 H136 Cl4 N12 O4 -","4","2","","Liu, Zhen; Zeng, Tian; Yang, Kin S.; Engle, Keary M.","β,γ-Vicinal Dicarbofunctionalization of Alkenyl Carbonyl Compounds via Directed Nucleopalladation.","Journal of the American Chemical Society","2016","138","46","15122","15125","10.1021/jacs.6b09170","","x-ray","1.54178","CuKα","","0.0672","0.0612","","","0.1661","0.1724","","","","","","1.075","","","","has coordinates,has disorder","241381","2020-10-21","18:00:00",""
"4131079","23.4967","0.0008","11.787","0.0004","18.4817","0.0006","90","","91.069","0.002","90","","5117.7","0.3","100","2","100","2","","","","","","","","7","C 1 2 1","C 2y","5","","","","- C47 H52 Cl2 F12 N6 O2 S2 -","- C47 H52 Cl2 F12 N6 O2 S2 -","- C188 H208 Cl8 F48 N24 O8 S8 -","4","1","","Kennedy, C. Rose; Lehnherr, Dan; Rajapaksa, Naomi S.; Ford, David D.; Park, Yongho; Jacobsen, Eric N.","Mechanism-Guided Development of a Highly Active Bis-thiourea Catalyst for Anion-Abstraction Catalysis.","Journal of the American Chemical Society","2016","138","41","13525","13528","10.1021/jacs.6b09205","","","0.71073","MoKα","","0.0522","0.0481","","","0.126","0.1296","","","","","","1.027","","","","has coordinates,has disorder","241382","2020-10-21","18:00:00",""
"4131080","12.3403","0.0017","12.3403","0.0017","31.681","0.004","90","","90","","120","","4178.1","1","100","2","100","2","","","","","","","","6","P 32 2 1","P 32 2""","154","","","","- C26 H26 F9 N3 O S -","- C26 H26 F9 N3 O S -","- C156 H156 F54 N18 O6 S6 -","6","1","","Kennedy, C. Rose; Lehnherr, Dan; Rajapaksa, Naomi S.; Ford, David D.; Park, Yongho; Jacobsen, Eric N.","Mechanism-Guided Development of a Highly Active Bis-thiourea Catalyst for Anion-Abstraction Catalysis.","Journal of the American Chemical Society","2016","138","41","13525","13528","10.1021/jacs.6b09205","","","0.71073","MoKα","","0.0524","0.046","","","0.114","0.1196","","","","","","1.026","","","","has coordinates,has disorder","241382","2020-10-21","18:00:00",""
"4131081","12.8221","0.0003","12.8221","0.0003","26.6228","0.0008","90","","90","","120","","3790.55","0.17","100","2","100","2","","","","","","","","6","P 32 2 1","P 32 2""","154","","","","- C25 H25 F8 N3 O S -","- C25 H25 F8 N3 O S -","- C150 H150 F48 N18 O6 S6 -","6","1","","Kennedy, C. Rose; Lehnherr, Dan; Rajapaksa, Naomi S.; Ford, David D.; Park, Yongho; Jacobsen, Eric N.","Mechanism-Guided Development of a Highly Active Bis-thiourea Catalyst for Anion-Abstraction Catalysis.","Journal of the American Chemical Society","2016","138","41","13525","13528","10.1021/jacs.6b09205","","","0.71073","MoKα","","0.0335","0.0298","","","0.0738","0.0763","","","","","","1.039","","","","has coordinates,has disorder","241382","2020-10-21","18:00:00",""
"4131082","11.8419","0.0003","11.8419","0.0003","31.7379","0.0009","90","","90","","120","","3854.35","0.18","100","2","100","2","","","","","","","","6","P 31","P 31","144","","","","- C48 H54 F12 N6 O2 S2 -","- C48 H54 F12 N6 O2 S2 -","- C144 H162 F36 N18 O6 S6 -","3","1","","Kennedy, C. Rose; Lehnherr, Dan; Rajapaksa, Naomi S.; Ford, David D.; Park, Yongho; Jacobsen, Eric N.","Mechanism-Guided Development of a Highly Active Bis-thiourea Catalyst for Anion-Abstraction Catalysis.","Journal of the American Chemical Society","2016","138","41","13525","13528","10.1021/jacs.6b09205","","","0.71073","MoKα","","0.0417","0.037","","","0.0898","0.0931","","","","","","1.029","","","","has coordinates,has disorder","241382","2020-10-21","18:00:00",""
"4131083","12.1213","0.0003","12.1213","0.0003","27.5249","0.0007","90","","90","","120","","3502.31","0.15","100","2","100","2","","","","","","","","6","P 32 2 1","P 32 2""","154","","","","- C23 H27 Cl2 N3 O S -","- C23 H27 Cl2 N3 O S -","- C138 H162 Cl12 N18 O6 S6 -","6","1","","Kennedy, C. Rose; Lehnherr, Dan; Rajapaksa, Naomi S.; Ford, David D.; Park, Yongho; Jacobsen, Eric N.","Mechanism-Guided Development of a Highly Active Bis-thiourea Catalyst for Anion-Abstraction Catalysis.","Journal of the American Chemical Society","2016","138","41","13525","13528","10.1021/jacs.6b09205","","","0.71073","MoKα","","0.027","0.0249","","","0.0602","0.0614","","","","","","1.031","","","","has coordinates,has disorder","241382","2020-10-21","18:00:00",""
"4131084","11.0829","0.0002","19.9964","0.0004","25.5461","0.0005","90","","90","","90","","5661.48","0.19","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C58 H58 F12 N6 O2 S2 -","- C58 H58 F12 N6 O2 S2 -","- C232 H232 F48 N24 O8 S8 -","4","1","","Kennedy, C. Rose; Lehnherr, Dan; Rajapaksa, Naomi S.; Ford, David D.; Park, Yongho; Jacobsen, Eric N.","Mechanism-Guided Development of a Highly Active Bis-thiourea Catalyst for Anion-Abstraction Catalysis.","Journal of the American Chemical Society","2016","138","41","13525","13528","10.1021/jacs.6b09205","","","0.71073","MoKα","","0.07","0.0645","","","0.1696","0.1756","","","","","","1.043","","","","has coordinates,has disorder","241382","2020-10-21","18:00:00",""
"4131085","10.7752","0.0006","14.8782","0.0008","13.3651","0.0007","90","","95.51","0.003","90","","2132.7","0.2","100","2","100","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C34.5 H43 Cl F12 N6 O2 S2 -","- C34.5 H43 Cl F12 N6 O2 S2 -","- C69 H86 Cl2 F24 N12 O4 S4 -","2","1","","Kennedy, C. Rose; Lehnherr, Dan; Rajapaksa, Naomi S.; Ford, David D.; Park, Yongho; Jacobsen, Eric N.","Mechanism-Guided Development of a Highly Active Bis-thiourea Catalyst for Anion-Abstraction Catalysis.","Journal of the American Chemical Society","2016","138","41","13525","13528","10.1021/jacs.6b09205","","","0.71073","MoKα","","0.0683","0.0564","","","0.1488","0.1595","","","","","","1.042","","","","has coordinates,has disorder","241382","2020-10-21","18:00:00",""
"4131086","14.9664","0.0001","23.1875","0.0002","25.2512","0.0002","90","","97.29","","90","","8692.17","0.12","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C153 H144 F42 N18 O18 S6 -","- C153 H144 F42 N18 O18 S6 -","- C306 H288 F84 N36 O36 S12 -","2","1","","Kennedy, C. Rose; Lehnherr, Dan; Rajapaksa, Naomi S.; Ford, David D.; Park, Yongho; Jacobsen, Eric N.","Mechanism-Guided Development of a Highly Active Bis-thiourea Catalyst for Anion-Abstraction Catalysis.","Journal of the American Chemical Society","2016","138","41","13525","13528","10.1021/jacs.6b09205","","","1.54178","CuKα","","0.0828","0.0719","","","0.1651","0.172","","","","","","1.046","","","","has coordinates,has disorder","241382","2020-10-21","18:00:00",""
"4131087","9.7864","0.0003","9.7864","0.0003","13.161","0.0005","90","","90","","90","","1260.48","0.07","100","2","100","2","","","","","","","","4","P 43","P 4cw","78","","","","- C11 H19 N O4 -","- C11 H19 N O4 -","- C44 H76 N4 O16 -","4","1","","Kennedy, C. Rose; Lehnherr, Dan; Rajapaksa, Naomi S.; Ford, David D.; Park, Yongho; Jacobsen, Eric N.","Mechanism-Guided Development of a Highly Active Bis-thiourea Catalyst for Anion-Abstraction Catalysis.","Journal of the American Chemical Society","2016","138","41","13525","13528","10.1021/jacs.6b09205","","","1.54178","CuKα","","0.0246","0.0242","","","0.0627","0.0631","","","","","","1.082","","","","has coordinates","241382","2020-10-21","18:00:00",""
"4131088","25.197","0.003","25.197","0.003","26.498","0.003","90","","90","","120","","14569","3","100","2","100","2","","","","","","","","7","P 32","P 32","145","","","","- C124 H132 Cl2 F28 N14 O12 S4 -","- C124 H132 Cl2 F28 N14 O12 S4 -","- C372 H396 Cl6 F84 N42 O36 S12 -","3","1","","Kennedy, C. Rose; Lehnherr, Dan; Rajapaksa, Naomi S.; Ford, David D.; Park, Yongho; Jacobsen, Eric N.","Mechanism-Guided Development of a Highly Active Bis-thiourea Catalyst for Anion-Abstraction Catalysis.","Journal of the American Chemical Society","2016","138","41","13525","13528","10.1021/jacs.6b09205","","","1.54178","CuKα","","0.113","0.0871","","","0.2144","0.2267","","","","","","1.082","","","","has coordinates,has disorder","241382","2020-10-21","18:00:00",""
"4131089","9.5124","0.0006","11.6095","0.0007","10.1757","0.0006","90","","97.068","0.004","90","","1115.21","0.12","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C23 H33 F N2 O3 -","- C23 H33 F N2 O3 -","- C46 H66 F2 N4 O6 -","2","1","","Kennedy, C. Rose; Lehnherr, Dan; Rajapaksa, Naomi S.; Ford, David D.; Park, Yongho; Jacobsen, Eric N.","Mechanism-Guided Development of a Highly Active Bis-thiourea Catalyst for Anion-Abstraction Catalysis.","Journal of the American Chemical Society","2016","138","41","13525","13528","10.1021/jacs.6b09205","","","1.54178","CuKα","","0.0295","0.0279","","","0.0687","0.07","","","","","","1.043","","","","has coordinates","241382","2020-10-21","18:00:00",""
"4131090","10.8045","0.0015","14.937","0.002","13.3271","0.0018","90","","94.461","0.002","90","","2144.3","0.5","100","2","100","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C35 H44 Cl2 F12 N6 O2 S2 -","- C35 H44 Cl2 F12 N6 O2 S2 -","- C70 H88 Cl4 F24 N12 O4 S4 -","2","1","","Kennedy, C. Rose; Lehnherr, Dan; Rajapaksa, Naomi S.; Ford, David D.; Park, Yongho; Jacobsen, Eric N.","Mechanism-Guided Development of a Highly Active Bis-thiourea Catalyst for Anion-Abstraction Catalysis.","Journal of the American Chemical Society","2016","138","41","13525","13528","10.1021/jacs.6b09205","","","0.71073","MoKα","","0.0597","0.0522","","","0.1458","0.1518","","","","","","1.054","","","","has coordinates,has disorder","241382","2020-10-21","18:00:00",""
"4131091","7.4063","0.0002","20.7172","0.0005","24.9402","0.0006","90","","90","","90","","3826.77","0.17","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C34 H42 F12 N6 O4 -","- C34 H42 F12 N6 O4 -","- C136 H168 F48 N24 O16 -","4","1","","Kennedy, C. Rose; Lehnherr, Dan; Rajapaksa, Naomi S.; Ford, David D.; Park, Yongho; Jacobsen, Eric N.","Mechanism-Guided Development of a Highly Active Bis-thiourea Catalyst for Anion-Abstraction Catalysis.","Journal of the American Chemical Society","2016","138","41","13525","13528","10.1021/jacs.6b09205","","","1.54178","CuKα","","0.0308","0.0299","","","0.0799","0.0808","","","","","","1.049","","","","has coordinates,has disorder","241382","2020-10-21","18:00:00",""
"4131092","14.5322","0.0004","7.4157","0.0002","18.1873","0.0005","90","","102.484","0.002","90","","1913.64","0.09","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C17 H21 F6 N3 O2 -","- C17 H21 F6 N3 O2 -","- C68 H84 F24 N12 O8 -","4","2","","Kennedy, C. Rose; Lehnherr, Dan; Rajapaksa, Naomi S.; Ford, David D.; Park, Yongho; Jacobsen, Eric N.","Mechanism-Guided Development of a Highly Active Bis-thiourea Catalyst for Anion-Abstraction Catalysis.","Journal of the American Chemical Society","2016","138","41","13525","13528","10.1021/jacs.6b09205","","","1.54178","CuKα","","0.0492","0.0468","","","0.1188","0.1207","","","","","","1.068","","","","has coordinates","255262","2020-10-21","18:00:00",""
"4131093","14.3464","0.0002","14.3464","0.0002","28.5097","0.0004","90","","90","","120","","5081.7","0.12","100","2","100","2","","","","","","","","7","P 32 2 1","P 32 2""","154","","","","- C64 H70 Cl F14 N7 O6 S2 -","- C64 H70 Cl F14 N7 O6 S2 -","- C192 H210 Cl3 F42 N21 O18 S6 -","3","0.5","","Kennedy, C. Rose; Lehnherr, Dan; Rajapaksa, Naomi S.; Ford, David D.; Park, Yongho; Jacobsen, Eric N.","Mechanism-Guided Development of a Highly Active Bis-thiourea Catalyst for Anion-Abstraction Catalysis.","Journal of the American Chemical Society","2016","138","41","13525","13528","10.1021/jacs.6b09205","","","1.54178","CuKα","","0.0331","0.0311","","","0.079","0.0806","","","","","","1.062","","","","has coordinates,has disorder","241382","2020-10-21","18:00:00",""
"4131094","15.7617","0.0003","15.7617","0.0003","23.1201","0.0005","90","","90","","90","","5743.8","0.2","100","2","100","2","","","","","","","","7","P 41 21 2","P 4abw 2nw","92","","","","- C54 H66 Cl F12 N7 O2 S2 -","- C54 H66 Cl F12 N7 O2 S2 -","- C216 H264 Cl4 F48 N28 O8 S8 -","4","0.5","","Kennedy, C. Rose; Lehnherr, Dan; Rajapaksa, Naomi S.; Ford, David D.; Park, Yongho; Jacobsen, Eric N.","Mechanism-Guided Development of a Highly Active Bis-thiourea Catalyst for Anion-Abstraction Catalysis.","Journal of the American Chemical Society","2016","138","41","13525","13528","10.1021/jacs.6b09205","","","0.71073","MoKα","","0.0667","0.0571","","","0.1431","0.1531","","","","","","1.069","","","","has coordinates,has disorder","241382","2020-10-21","18:00:00",""
"4131095","9.1227","0.0006","12.7639","0.0008","12.5204","0.0009","90","","93.258","0.006","90","","1455.53","0.17","100","0.1","100","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H36 Cl6 N2 Sb -","- C24 H36 Cl6 N2 Sb -","- C48 H72 Cl12 N4 Sb2 -","2","0.5","","Wang, Denan; Talipov, Marat R.; Ivanov, Maxim V.; Rathore, Rajendra","Energy Gap between the Poly-p-phenylene Bridge and Donor Groups Controls the Hole Delocalization in Donor-Bridge-Donor Wires.","Journal of the American Chemical Society","2016","138","50","16337","16344","10.1021/jacs.6b09209","","x-ray","1.54184","CuKα","","0.0675","0.0555","","","0.141","0.1507","","","","","","1.025","","","","has coordinates","241383","2020-10-21","18:00:00",""
"4131096","17.7621","0.0003","22.2461","0.0004","27.0076","0.0004","66.1403","0.0016","79.782","0.0013","83.1039","0.0013","9591.1","0.3","100","0.1","100","0.1","","","","","","","","3","P -1","-P 1","2","","","","- C24 H36 N2 -","- C24 H36 N2 -","- C432 H648 N36 -","18","9","","Wang, Denan; Talipov, Marat R.; Ivanov, Maxim V.; Rathore, Rajendra","Energy Gap between the Poly-p-phenylene Bridge and Donor Groups Controls the Hole Delocalization in Donor-Bridge-Donor Wires.","Journal of the American Chemical Society","2016","138","50","16337","16344","10.1021/jacs.6b09209","","x-ray","1.54184","CuKα","","0.1182","0.1082","","","0.3071","0.3323","","","","","","1.472","","","","has coordinates,has disorder","241384","2020-10-21","18:00:00",""
"4131097","9.989","0.0019","11.211","0.002","13.316","0.003","87.303","0.003","75.592","0.003","77.986","0.003","1412.7","0.5","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C27 H30 N6 O2 S3 Zn -","- C27 H30 N6 O2 S3 Zn -","- C54 H60 N12 O4 S6 Zn2 -","2","1","","Ruccolo, Serge; Sattler, Wesley; Rong, Yi; Parkin, Gerard","Modulation of Zn-C Bond Lengths Induced by Ligand Architecture in Zinc Carbatrane Compounds.","Journal of the American Chemical Society","2016","138","44","14542","14545","10.1021/jacs.6b09250","","","0.71073","MoKα","","0.0716","0.0435","","","0.0957","0.1063","","","","","","1.058","","","","has coordinates","241385","2020-10-21","18:00:00",""
"4131098","9.4115","0.0006","13.1229","0.0009","14.5918","0.001","90","","98.222","0.001","90","","1783.7","0.2","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C13 H15 Br N6 S3 Zn -","- C13 H15 Br N6 S3 Zn -","- C52 H60 Br4 N24 S12 Zn4 -","4","1","","Ruccolo, Serge; Sattler, Wesley; Rong, Yi; Parkin, Gerard","Modulation of Zn-C Bond Lengths Induced by Ligand Architecture in Zinc Carbatrane Compounds.","Journal of the American Chemical Society","2016","138","44","14542","14545","10.1021/jacs.6b09250","","","0.71073","MoKα","","0.0484","0.0319","","","0.0755","0.0822","","","","","","1.019","","","","has coordinates","241386","2020-10-21","18:00:00",""
"4131099","9.616","0.005","11.126","0.005","13.498","0.006","95.167","0.007","106.067","0.007","97.479","0.007","1363.8","1.1","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C19 H20 N6 S3 Se Zn -","- C19 H20 N6 S3 Se Zn -","- C38 H40 N12 S6 Se2 Zn2 -","2","1","","Ruccolo, Serge; Sattler, Wesley; Rong, Yi; Parkin, Gerard","Modulation of Zn-C Bond Lengths Induced by Ligand Architecture in Zinc Carbatrane Compounds.","Journal of the American Chemical Society","2016","138","44","14542","14545","10.1021/jacs.6b09250","","","0.71073","MoKα","","0.0788","0.0482","","","0.1333","0.1426","","","","","","1.058","","","","has coordinates","241387","2020-10-21","18:00:00",""
"4131100","11.307","0.004","13.657","0.004","13.962","0.004","68.636","0.004","69.584","0.005","70.758","0.005","1830.4","1","200","2","200","2","","","","","","","","6","P -1","-P 1","2","","","","- C14 H15 N7 O S3 Zn -","- C14 H15 N7 O S3 Zn -","- C56 H60 N28 O4 S12 Zn4 -","4","2","","Ruccolo, Serge; Sattler, Wesley; Rong, Yi; Parkin, Gerard","Modulation of Zn-C Bond Lengths Induced by Ligand Architecture in Zinc Carbatrane Compounds.","Journal of the American Chemical Society","2016","138","44","14542","14545","10.1021/jacs.6b09250","","","0.71073","MoKα","","0.1234","0.0513","","","0.0759","0.0933","","","","","","1.001","","","","has coordinates","241389","2020-10-21","18:00:00",""
"4131101","24.036","0.002","12.8658","0.0012","18.2274","0.0017","90","","129.726","0.0014","90","","4335.2","0.7","150","2","150","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C16 H24 N6 O S3 Si Zn -","- C16 H24 N6 O S3 Si Zn -","- C128 H192 N48 O8 S24 Si8 Zn8 -","8","1","","Ruccolo, Serge; Sattler, Wesley; Rong, Yi; Parkin, Gerard","Modulation of Zn-C Bond Lengths Induced by Ligand Architecture in Zinc Carbatrane Compounds.","Journal of the American Chemical Society","2016","138","44","14542","14545","10.1021/jacs.6b09250","","","0.71073","MoKα","","0.1017","0.0586","","","0.1351","0.1514","","","","","","1.046","","","","has coordinates","241390","2020-10-21","18:00:00",""
"4131102","13.576","0.004","8.775","0.002","18.498","0.005","90","","101.232","0.004","90","","2161.4","1","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C19 H20 N6 O S3 Zn -","- C19 H20 N6 O S3 Zn -","- C76 H80 N24 O4 S12 Zn4 -","4","1","","Ruccolo, Serge; Sattler, Wesley; Rong, Yi; Parkin, Gerard","Modulation of Zn-C Bond Lengths Induced by Ligand Architecture in Zinc Carbatrane Compounds.","Journal of the American Chemical Society","2016","138","44","14542","14545","10.1021/jacs.6b09250","","","0.71073","MoKα","","0.0538","0.0371","","","0.0966","0.1033","","","","","","1.216","","","","has coordinates","241391","2020-10-21","18:00:00",""
"4131103","9.429","0.002","11.149","0.003","13.582","0.003","95.951","0.004","106.456","0.004","96.721","0.004","1345.8","0.5","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C19 H20 N6 S4 Zn -","- C19 H20 N6 S4 Zn -","- C38 H40 N12 S8 Zn2 -","2","1","","Ruccolo, Serge; Sattler, Wesley; Rong, Yi; Parkin, Gerard","Modulation of Zn-C Bond Lengths Induced by Ligand Architecture in Zinc Carbatrane Compounds.","Journal of the American Chemical Society","2016","138","44","14542","14545","10.1021/jacs.6b09250","","","0.71073","MoKα","","0.0572","0.0382","","","0.0877","0.0935","","","","","","1.027","","","","has coordinates,has disorder","241392","2020-10-21","18:00:00",""
"4131104","10.137","0.002","11.868","0.003","18.978","0.004","90","","99.563","0.003","90","","2251.4","0.9","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C20 H22 N6 O S3 Zn -","- C20 H22 N6 O S3 Zn -","- C80 H88 N24 O4 S12 Zn4 -","4","1","","Ruccolo, Serge; Sattler, Wesley; Rong, Yi; Parkin, Gerard","Modulation of Zn-C Bond Lengths Induced by Ligand Architecture in Zinc Carbatrane Compounds.","Journal of the American Chemical Society","2016","138","44","14542","14545","10.1021/jacs.6b09250","","","0.71073","MoKα","","0.0643","0.0372","","","0.0894","0.1039","","","","","","0.938","","","","has coordinates","241393","2020-10-21","18:00:00",""
"4131105","12.867","0.003","13.368","0.003","14.404","0.004","79.32","0.004","69.456","0.004","75.417","0.004","2232.4","1","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C19 H19 N7 O3 S3 Zn -","- C19 H19 N7 O3 S3 Zn -","- C76 H76 N28 O12 S12 Zn4 -","4","2","","Ruccolo, Serge; Sattler, Wesley; Rong, Yi; Parkin, Gerard","Modulation of Zn-C Bond Lengths Induced by Ligand Architecture in Zinc Carbatrane Compounds.","Journal of the American Chemical Society","2016","138","44","14542","14545","10.1021/jacs.6b09250","","","0.71073","MoKα","","0.1282","0.0645","","","0.1239","0.1471","","","","","","1.029","","","","has coordinates","241394","2020-10-21","18:00:00",""
"4131106","9.603","0.002","12.978","0.003","14.646","0.004","90","","98.568","0.004","90","","1804.9","0.7","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C13 H15 I N6 S3 Zn -","- C13 H15 I N6 S3 Zn -","- C52 H60 I4 N24 S12 Zn4 -","4","1","","Ruccolo, Serge; Sattler, Wesley; Rong, Yi; Parkin, Gerard","Modulation of Zn-C Bond Lengths Induced by Ligand Architecture in Zinc Carbatrane Compounds.","Journal of the American Chemical Society","2016","138","44","14542","14545","10.1021/jacs.6b09250","","","0.71073","MoKα","","0.1506","0.0594","","","0.0797","0.0997","","","","","","1.011","","","","has coordinates","241395","2020-10-21","18:00:00",""
"4131107","12.8684","0.0012","13.0973","0.0012","15.5044","0.0014","72.506","0.001","85.102","0.001","62.559","0.001","2207.5","0.4","170","2","170","2","","","","","","","","6","P -1","-P 1","2","","","","- C17.5 H19.5 Cl N6 S3 Zn -","- C17.5 H19.5 Cl N6 S3 Zn -","- C70 H78 Cl4 N24 S12 Zn4 -","4","2","","Ruccolo, Serge; Sattler, Wesley; Rong, Yi; Parkin, Gerard","Modulation of Zn-C Bond Lengths Induced by Ligand Architecture in Zinc Carbatrane Compounds.","Journal of the American Chemical Society","2016","138","44","14542","14545","10.1021/jacs.6b09250","","","0.71073","MoKα","","0.0915","0.0464","","","0.116","0.1356","","","","","","1.032","","","","has coordinates","241396","2020-10-21","18:00:00",""
"4131108","9.113","0.003","9.909","0.003","14.006","0.004","100.325","0.004","95.142","0.005","95.111","0.005","1232.1","0.7","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C23 H23 N6 O2 S3 Zn -","- C23 H23 N6 O2 S3 Zn -","- C46 H46 N12 O4 S6 Zn2 -","2","1","","Ruccolo, Serge; Sattler, Wesley; Rong, Yi; Parkin, Gerard","Modulation of Zn-C Bond Lengths Induced by Ligand Architecture in Zinc Carbatrane Compounds.","Journal of the American Chemical Society","2016","138","44","14542","14545","10.1021/jacs.6b09250","","","0.71073","MoKα","","0.1129","0.0638","","","0.1601","0.1872","","","","","","1.045","","","","has coordinates","241397","2020-10-21","18:00:00",""
"4131109","15.339","0.002","8.7461","0.0011","17.822","0.002","90","","103.034","0.002","90","","2329.3","0.5","150","2","150","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C19 H19 Br N6 O S3 Zn -","- C19 H19 Br N6 O S3 Zn -","- C76 H76 Br4 N24 O4 S12 Zn4 -","4","1","","Ruccolo, Serge; Sattler, Wesley; Rong, Yi; Parkin, Gerard","Modulation of Zn-C Bond Lengths Induced by Ligand Architecture in Zinc Carbatrane Compounds.","Journal of the American Chemical Society","2016","138","44","14542","14545","10.1021/jacs.6b09250","","","0.71073","MoKα","","0.1109","0.0487","","","0.0973","0.1179","","","","","","1.045","","","","has coordinates","241398","2020-10-21","18:00:00",""
"4131110","11.669","0.0011","12.4246","0.0012","12.6995","0.0013","90","","100.342","0.001","90","","1811.3","0.3","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H18 N6 S3 Zn -","- C14 H18 N6 S3 Zn -","- C56 H72 N24 S12 Zn4 -","4","1","","Ruccolo, Serge; Sattler, Wesley; Rong, Yi; Parkin, Gerard","Modulation of Zn-C Bond Lengths Induced by Ligand Architecture in Zinc Carbatrane Compounds.","Journal of the American Chemical Society","2016","138","44","14542","14545","10.1021/jacs.6b09250","","","0.71073","MoKα","","0.0548","0.0366","","","0.0855","0.0927","","","","","","1.175","","","","has coordinates","241399","2020-10-21","18:00:00",""
"4131111","14.933","0.002","10.2002","0.0016","15.577","0.003","90","","106.158","0.002","90","","2279","0.6","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C20 H22 N6 O2 S3 Zn -","- C20 H22 N6 O2 S3 Zn -","- C80 H88 N24 O8 S12 Zn4 -","4","1","","Ruccolo, Serge; Sattler, Wesley; Rong, Yi; Parkin, Gerard","Modulation of Zn-C Bond Lengths Induced by Ligand Architecture in Zinc Carbatrane Compounds.","Journal of the American Chemical Society","2016","138","44","14542","14545","10.1021/jacs.6b09250","","","0.71073","MoKα","","0.0688","0.0401","","","0.087","0.0986","","","","","","1.027","","","","has coordinates","241400","2020-10-21","18:00:00",""
"4131112","6.5319","0.0008","11.448","0.001","16.5428","0.0013","75.624","0.007","83.288","0.009","87.885","0.009","1190","0.2","100","","100","","","","","","","","","5","P -1","-P 1","2","13(H2O)2(Cl)2","","","- C25 H24 Cl2 N4 O2 -","- C25 H24 Cl2 N4 O2 -","- C50 H48 Cl4 N8 O4 -","2","1","","Kahlfuss, Christophe; Denis-Quanquin, Sandrine; Calin, Nathalie; Dumont, Elise; Garavelli, Marco; Royal, Guy; Cobo, Saioa; Saint-Aman, Eric; Bucher, Christophe","Electron-Triggered Metamorphism in Porphyrin-Based Self-Assembled Coordination Polymers.","Journal of the American Chemical Society","2016","138","46","15234","15242","10.1021/jacs.6b09311","","","1.54184","CuKα","","0.0954","0.0839","","","0.2112","0.2332","","","","","","1.046","","","","has coordinates","241401","2020-10-21","18:00:00",""
"4131113","6.2739","0.0002","14.8717","0.0004","12.5805","0.0004","90","","101.478","0.003","90","","1150.33","0.06","100","","100","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","9","","","- C14 H11 N3 -","- C14 H11 N3 -","- C56 H44 N12 -","4","1","","Kahlfuss, Christophe; Denis-Quanquin, Sandrine; Calin, Nathalie; Dumont, Elise; Garavelli, Marco; Royal, Guy; Cobo, Saioa; Saint-Aman, Eric; Bucher, Christophe","Electron-Triggered Metamorphism in Porphyrin-Based Self-Assembled Coordination Polymers.","Journal of the American Chemical Society","2016","138","46","15234","15242","10.1021/jacs.6b09311","","","0.71073","MoKα","","0.0771","0.0525","","","0.1169","0.1292","","","","","","1.07","","","","has coordinates","241402","2020-10-21","18:00:00",""
"4131114","5.3148","0.0002","13.4163","0.0004","19.5434","0.0006","90","","94.984","0.003","90","","1388.27","0.08","100","","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","8","","","- C13 H14 I N O2 -","- C13 H14 I N O2 -","- C52 H56 I4 N4 O8 -","4","1","","Kahlfuss, Christophe; Denis-Quanquin, Sandrine; Calin, Nathalie; Dumont, Elise; Garavelli, Marco; Royal, Guy; Cobo, Saioa; Saint-Aman, Eric; Bucher, Christophe","Electron-Triggered Metamorphism in Porphyrin-Based Self-Assembled Coordination Polymers.","Journal of the American Chemical Society","2016","138","46","15234","15242","10.1021/jacs.6b09311","","","0.71073","MoKα","","0.0409","0.0309","","","0.0616","0.0667","","","","","","1.039","","","","has coordinates","241403","2020-10-21","18:00:00",""
"4131115","25.379","0.0012","15.128","0.0007","19.87","0.001","90","","94.727","0.004","90","","7602.8","0.6","100","2","100","2","","","","","","","","5","C 1 2/m 1","-C 2y","12",";TbNC@C2v(9)-C82/Ni(OEP)/2benzene;","","","- C131 H56 N5 Ni Tb -","- C131 H56 N5 Ni Tb1.001 -","- C524 H224 N20 Ni4 Tb4.004 -","4","0.5","","Liu, Fupin; Gao, Cong-Li; Deng, Qingming; Zhu, Xianjun; Kostanyan, Aram; Westerström, Rasmus; Wang, Song; Tan, Yuan-Zhi; Tao, Jun; Xie, Su-Yuan; Popov, Alexey A.; Greber, Thomas; Yang, Shangfeng","Triangular Monometallic Cyanide Cluster Entrapped in Carbon Cage with Geometry-Dependent Molecular Magnetism.","Journal of the American Chemical Society","2016","138","44","14764","14771","10.1021/jacs.6b09329","","","1.54184","CuKα","","0.1928","0.1386","","","0.3759","0.4197","","","","","","1.575","","","","has coordinates,has disorder","241404","2020-10-21","18:00:00",""
"4131116","25.3335","0.0014","15.0135","0.0011","19.863","0.0013","90","","93.987","0.006","90","","7536.5","0.9","100","2","100","2","","","","","","","","5","C 1 2/m 1","-C 2y","12",";TbNC@Cs(6)-C82/Ni(OEP)/2benzene;","","","- C131 H56 N5 Ni Tb -","- C131 H56 N5 Ni Tb1.0017 -","- C524 H224 N20 Ni4 Tb4.0068 -","4","0.5","","Liu, Fupin; Gao, Cong-Li; Deng, Qingming; Zhu, Xianjun; Kostanyan, Aram; Westerström, Rasmus; Wang, Song; Tan, Yuan-Zhi; Tao, Jun; Xie, Su-Yuan; Popov, Alexey A.; Greber, Thomas; Yang, Shangfeng","Triangular Monometallic Cyanide Cluster Entrapped in Carbon Cage with Geometry-Dependent Molecular Magnetism.","Journal of the American Chemical Society","2016","138","44","14764","14771","10.1021/jacs.6b09329","","","1.54178","CuKα","","0.1473","0.101","","","0.2512","0.3004","","","","","","1.035","","","","has coordinates,has disorder","241405","2020-10-21","18:00:00",""
"4131117","8.3113","0.0003","11.2268","0.0005","9.8191","0.0004","90","","111.642","0.002","90","","851.63","0.06","180","2","180","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C18 H23 O P -","- C18 H23 O P -","- C36 H46 O2 P2 -","2","1","","Beaud, Rodolphe; Phipps, Robert J.; Gaunt, Matthew J.","Enantioselective Cu-Catalyzed Arylation of Secondary Phosphine Oxides with Diaryliodonium Salts toward the Synthesis of P-Chiral Phosphines.","Journal of the American Chemical Society","2016","138","40","13183","13186","10.1021/jacs.6b09334","","","0.71073","MoKα","","0.0501","0.0406","","","0.0861","0.093","","","","","","1.061","","","","has coordinates","241406","2020-10-21","18:00:00",""
"4131118","13.9614","0.0004","15.5727","0.0005","18.4333","0.0006","79.5333","0.0016","74.5056","0.0016","82.7214","0.0017","3784.8","0.2","230","2","230","2","","","","","","","","4","P -1","-P 1","2","","","","- C148 H148 Cl4 N14 -","- C148 H148 Cl4 N14 -","- C148 H148 Cl4 N14 -","1","0.5","","Benson, Christopher R.; Fatila, Elisabeth M.; Lee, Semin; Marzo, Matthew G.; Pink, Maren; Mills, Michelle B.; Preuss, Kathryn E.; Flood, Amar H.","Extreme Stabilization and Redox Switching of Organic Anions and Radical Anions by Large-Cavity, CH Hydrogen-Bonding Cyanostar Macrocycles.","Journal of the American Chemical Society","2016","138","45","15057","15065","10.1021/jacs.6b09459","","","0.71073","MoKα","","0.1776","0.1507","","","0.4617","0.4845","","","","","","2.069","","","","has coordinates,has disorder","241408","2020-10-21","18:00:00",""
"4131119","4.5174","0.0002","6.8284","0.0004","15.9328","0.0008","90","","92.4936","0.0017","90","","491.01","0.04","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C11 H11 F O3 -","- C11 H11 F O3 -","- C22 H22 F2 O6 -","2","1","","Woerly, Eric M.; Banik, Steven M.; Jacobsen, Eric N.","Enantioselective, Catalytic Fluorolactonization Reactions with a Nucleophilic Fluoride Source.","Journal of the American Chemical Society","2016","138","42","13858","13861","10.1021/jacs.6b09499","","","1.54178","CuKα","","0.0338","0.0326","","","0.0843","0.0857","","","","","","1.038","","","","has coordinates","241409","2020-10-21","18:00:00",""
"4131120","4.486","0.0002","6.8678","0.0003","27.2439","0.0011","90","","90","","90","","839.36","0.06","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C10 H9 F O2 -","- C10 H9 F O2 -","- C40 H36 F4 O8 -","4","1","","Woerly, Eric M.; Banik, Steven M.; Jacobsen, Eric N.","Enantioselective, Catalytic Fluorolactonization Reactions with a Nucleophilic Fluoride Source.","Journal of the American Chemical Society","2016","138","42","13858","13861","10.1021/jacs.6b09499","","","1.54178","CuKα","","0.0258","0.0245","","","0.0631","0.065","","","","","","1.08","","","","has coordinates","241410","2020-10-21","18:00:00",""
"4131121","21.6152","0.0006","4.3127","0.0001","14.1504","0.0004","90","","123.392","0.0009","90","","1101.35","0.05","100","2","100","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C12 H12 Cl F O2 -","- C12 H12 Cl F O2 -","- C48 H48 Cl4 F4 O8 -","4","1","","Woerly, Eric M.; Banik, Steven M.; Jacobsen, Eric N.","Enantioselective, Catalytic Fluorolactonization Reactions with a Nucleophilic Fluoride Source.","Journal of the American Chemical Society","2016","138","42","13858","13861","10.1021/jacs.6b09499","","","1.54178","CuKα","","0.0223","0.0221","","","0.0586","0.0592","","","","","","1.076","","","","has coordinates","241411","2020-10-21","18:00:00",""
"4131122","9.313","0.004","28.127","0.011","12.193","0.005","90","","102.813","0.015","90","","3114","2","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C32 H46 Mn N5 O2 -","- C32 H46 Mn N5 O2 -","- C128 H184 Mn4 N20 O8 -","4","1","","Clarke, Ryan M.; Storr, Tim","Tuning Electronic Structure To Control Manganese Nitride Activation.","Journal of the American Chemical Society","2016","138","47","15299","15302","10.1021/jacs.6b09576","","","0.71073","MoKα","","0.094","0.0778","","","0.1681","0.1737","","","","","","1.267","","","","has coordinates,has disorder","241412","2020-10-21","18:00:00",""
"4131123","13.6564","0.0002","26.8457","0.0004","24.505","0.0004","90","","90.32","0.001","90","","8983.8","0.2","150","2","150","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C30 H34 F6 Mn N3 O2 -","- C30 H34 F6 Mn N3 O2 -","- C360 H408 F72 Mn12 N36 O24 -","12","6","","Clarke, Ryan M.; Storr, Tim","Tuning Electronic Structure To Control Manganese Nitride Activation.","Journal of the American Chemical Society","2016","138","47","15299","15302","10.1021/jacs.6b09576","","","1.54178","CuKα","","0.0646","0.0514","","","0.1223","0.1292","","","","","","0.976","","","","has coordinates,has disorder","241412","2020-10-21","18:00:00",""
"4131124","17.4875","0.0014","10.1425","0.0009","24.385","0.002","90","","108.629","0.002","90","","4098.5","0.6","150","2","150","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C37 H54 Cl2 F6 Mn N2 O2 Sb -","- C37 H54 Cl2 F6 Mn N2 O2 Sb -","- C148 H216 Cl8 F24 Mn4 N8 O8 Sb4 -","4","1","","Clarke, Ryan M.; Storr, Tim","Tuning Electronic Structure To Control Manganese Nitride Activation.","Journal of the American Chemical Society","2016","138","47","15299","15302","10.1021/jacs.6b09576","","","0.71073","MoKα","","0.0513","0.0461","","","0.1026","0.1059","","","","","","1.051","","","","has coordinates,has disorder","241412","2020-10-21","18:00:00",""
"4131125","8.28575","0.00009","5.58198","0.00005","17.4221","0.0002","90","","103.183","0.0012","90","","784.551","0.015","100.1","0.2","100.1","0.2","","","","","","","","2","P 1 21 1","P 2yb","4","","","","- C22 H18 -","- C22 H18 -","- C44 H36 -","2","1","","Chu, Wen-Dao; Zhang, Lei; Zhang, Zhikun; Zhou, Qi; Mo, Fanyang; Zhang, Yan; Wang, Jianbo","Enantioselective Synthesis of Trisubstituted Allenes via Cu(I)-Catalyzed Coupling of Diazoalkanes with Terminal Alkynes.","Journal of the American Chemical Society","2016","138","44","14558","14561","10.1021/jacs.6b09674","","","1.54184","CuKα","","0.0431","0.0429","","","0.1175","0.1178","","","","","","1.041","","","","has coordinates","241413","2020-10-21","18:00:00",""
"4131126","17.7258","0.0008","26.2139","0.0013","34.8331","0.0017","101.908","0.002","103.234","0.002","108.766","0.002","14213.2","1.2","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C42 H46 Br3 N9 O3 Si -","- C42 H46 Br3 N9 O3 Si -","- C504 H552 Br36 N108 O36 Si12 -","12","6","","Tian, Maoqun; Yan, Ming; Baran, Phil S.","11-Step Total Synthesis of Araiosamines.","Journal of the American Chemical Society","2016","138","43","14234","14237","10.1021/jacs.6b09701","","x-ray","0.71073","MoKα","","0.1425","0.0703","","","0.1556","0.1852","","","","","","1.017","","","","has coordinates,has disorder","241414","2020-10-21","18:00:00",""
"4131127","14.396","0.005","18.043","0.005","18.682","0.005","64.501","0.008","80.167","0.008","81.53","0.009","4301","2","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C36 H40 Br2 N6 O6 -","- C36 H40 Br2 N6 O6 -","- C144 H160 Br8 N24 O24 -","4","2","","Tian, Maoqun; Yan, Ming; Baran, Phil S.","11-Step Total Synthesis of Araiosamines.","Journal of the American Chemical Society","2016","138","43","14234","14237","10.1021/jacs.6b09701","","x-ray","0.71073","MoKα","","0.1533","0.0745","","","0.1751","0.2069","","","","","","0.967","","","","has coordinates","254024","2020-10-21","18:00:00",""
"4131128","9.4581","0.0003","9.4581","0.0003","26.7583","0.0008","90","","90","","120","","2072.99","0.11","100","","100","","","","","","","","","5","P 65","P 65","170","","","","- C11 H13 F3 N4 O3 -","- C11 H13 F3 N4 O3 -","- C66 H78 F18 N24 O18 -","6","1","","Tian, Maoqun; Yan, Ming; Baran, Phil S.","11-Step Total Synthesis of Araiosamines.","Journal of the American Chemical Society","2016","138","43","14234","14237","10.1021/jacs.6b09701","","x-ray","1.54178","CuKα","","0.0223","0.0221","","","0.0537","0.0538","","","","","","1.056","","","","has coordinates","241416","2020-10-21","18:00:00",""
"4131129","7.1915","0.0006","9.9207","0.0008","10.5906","0.0008","70.333","0.002","77.849","0.003","73.65","0.003","677.11","0.09","100","2","100","","","","","","","","","4","P -1","-P 1","2","","","","- C13 H19 N3 O2 -","- C13 H19 N3 O2 -","- C26 H38 N6 O4 -","2","1","","Tian, Maoqun; Yan, Ming; Baran, Phil S.","11-Step Total Synthesis of Araiosamines.","Journal of the American Chemical Society","2016","138","43","14234","14237","10.1021/jacs.6b09701","","x-ray","0.71073","MoKα","","0.0458","0.0403","","","0.1044","0.111","","","","","","1.046","","","","has coordinates","241417","2020-10-21","18:00:00",""
"4131130","10.2153","0.0002","11.9013","0.0002","14.8471","0.0003","89.378","0.001","70.049","0.001","72.258","0.001","1607.25","0.05","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C34 H33 Br3 N4 O4 -","- C34 H33 Br3 N4 O4 -","- C68 H66 Br6 N8 O8 -","2","1","","Tian, Maoqun; Yan, Ming; Baran, Phil S.","11-Step Total Synthesis of Araiosamines.","Journal of the American Chemical Society","2016","138","43","14234","14237","10.1021/jacs.6b09701","","","1.54178","CuKα","","0.0436","0.0329","","","0.0787","0.0828","","","","","","1.097","","","","has coordinates","241418","2020-10-21","18:00:00",""
"4131131","10.6841","0.0005","31.5826","0.0016","9.5285","0.0005","90","","97.09","0.002","90","","3190.6","0.3","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C33 H32 N4 O4 -","- C33 H32 N4 O4 -","- C132 H128 N16 O16 -","4","1","","Tian, Maoqun; Yan, Ming; Baran, Phil S.","11-Step Total Synthesis of Araiosamines.","Journal of the American Chemical Society","2016","138","43","14234","14237","10.1021/jacs.6b09701","","","0.71073","MoKα","","0.0761","0.0556","","","0.1421","0.1528","","","","","","1.035","","","","has coordinates","241419","2020-10-21","18:00:00",""
"4131132","5.303","0.002","31.07","0.014","19.443","0.009","90","","90.324","0.011","90","","3203","2","100","","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C32 H35 Br2 N5 O4 -","- C32 H35 Br2 N5 O4 -","- C128 H140 Br8 N20 O16 -","4","1","","Tian, Maoqun; Yan, Ming; Baran, Phil S.","11-Step Total Synthesis of Araiosamines.","Journal of the American Chemical Society","2016","138","43","14234","14237","10.1021/jacs.6b09701","","","0.71073","MoKα","","0.0568","0.0362","","","0.0766","0.084","","","","","","1.023","","","","has coordinates","241420","2020-10-21","18:00:00",""
"4131133","6.1564","0.001","15.59","0.003","17.998","0.003","102.075","0.006","93.922","0.004","101.361","0.004","1645.2","0.5","100","","100","","","","","","","","","5","P 1","P 1","1","","","","- C32 H35 Br2 N5 O4 -","- C32 H35 Br2 N5 O4 -","- C64 H70 Br4 N10 O8 -","2","2","","Tian, Maoqun; Yan, Ming; Baran, Phil S.","11-Step Total Synthesis of Araiosamines.","Journal of the American Chemical Society","2016","138","43","14234","14237","10.1021/jacs.6b09701","","x-ray","0.71073","MoKα","","0.1058","0.0699","","","0.1437","0.1596","","","","","","1.08","","","","has coordinates","241421","2020-10-21","18:00:00",""
"4131134","13.0769","0.0004","9.1858","0.0002","17.9242","0.0006","90","","97.552","0.001","90","","2134.41","0.11","100","2","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C21 H23 Br N2 O4 S -","- C21 H23 Br N2 O4 S -","- C84 H92 Br4 N8 O16 S4 -","4","1","","Tian, Maoqun; Yan, Ming; Baran, Phil S.","11-Step Total Synthesis of Araiosamines.","Journal of the American Chemical Society","2016","138","43","14234","14237","10.1021/jacs.6b09701","","","0.71073","MoKα","","0.0393","0.0292","","","0.0685","0.0733","","","","","","1.023","","","","has coordinates","241422","2020-10-21","18:00:00",""
"4131135","33.6473","0.0015","33.6473","0.0015","33.6473","0.0015","90","","90","","90","","38093","3","100","2","100","2","","","","","","","","8","P n -3 :2","-P 2ab 2bc 3","201","","","","- C214.51 H260.49 Cl15.22 Hg7.61 N5.98 O47 S36 Zr6 -","- C214.52 H260.499 Cl15.216 Hg7.608 N5.9862 O47 S36 Zr6 -","- C858.082 H1042 Cl60.864 Hg30.432 N23.9448 O188 S144 Zr24 -","4","0.166667","","Hou, Yun-Long; Yee, Ka-Kit; Wong, Yan-Lung; Zha, Meiqin; He, Jun; Zeller, Matthias; Hunter, Allen D.; Yang, Kaiqi; Xu, Zhengtao","Metalation Triggers Single Crystalline Order in a Porous Solid.","Journal of the American Chemical Society","2016","138","45","14852","14855","10.1021/jacs.6b09763","","","0.71073","MoKα","","0.2185","0.128","","","0.3212","0.3957","","","","","","1.053","","","","has coordinates,has disorder","241423","2020-10-21","18:00:00",""
"4131136","18.536","0.012","10.609","0.007","14.294","0.009","90","","110.734","0.007","90","","2629","3","110","2","110","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C22 H24 B2 Co F8 N6 -","- C22 H24 B2 Co F8 N6 -","- C88 H96 B8 Co4 F32 N24 -","4","1","","Woods, Toby J.; Ballesteros-Rivas, María F; Gómez-Coca, Silvia; Ruiz, Eliseo; Dunbar, Kim R.","Relaxation Dynamics of Identical Trigonal Bipyramidal Cobalt Molecules with Different Local Symmetries and Packing Arrangements: Magnetostructural Correlations and ab inito Calculations.","Journal of the American Chemical Society","2016","138","50","16407","16416","10.1021/jacs.6b10154","","","0.71073","MoKα","","0.0381","0.0304","","","0.0808","0.0858","","","","","","1.021","","","","has coordinates","241424","2020-10-21","18:00:00",""
"4131137","11.591","0.003","15.037","0.004","19.998","0.005","90.464","0.003","103.773","0.003","111.089","0.003","3141.6","1.4","110","2","110","2","","","","","","","","6","P -1","-P 1","2","","","","- C18 H18 Cl2 Co N4 O2 -","- C18 H18 Cl1.99967 Co N4 O2.00067 -","- C108 H108 Cl11.998 Co6 N24 O12.004 -","6","3","","Woods, Toby J.; Ballesteros-Rivas, María F; Gómez-Coca, Silvia; Ruiz, Eliseo; Dunbar, Kim R.","Relaxation Dynamics of Identical Trigonal Bipyramidal Cobalt Molecules with Different Local Symmetries and Packing Arrangements: Magnetostructural Correlations and ab inito Calculations.","Journal of the American Chemical Society","2016","138","50","16407","16416","10.1021/jacs.6b10154","","","0.71073","MoKα","","0.0949","0.0721","","","0.183","0.2003","","","","","","1.035","","","","has coordinates,has disorder","241424","2020-10-21","18:00:00",""
"4131138","12.394","0.003","12.394","0.003","12.394","0.003","90","","90","","90","","1903.9","0.8","110","2","110","2","","","","","","","","5","P 21 3","P 2ac 2ab 3","198","","","","- C18 H18 Cl2 Co N4 -","- C18 H18 Cl2 Co N4 -","- C72 H72 Cl8 Co4 N16 -","4","0.333333","","Woods, Toby J.; Ballesteros-Rivas, María F; Gómez-Coca, Silvia; Ruiz, Eliseo; Dunbar, Kim R.","Relaxation Dynamics of Identical Trigonal Bipyramidal Cobalt Molecules with Different Local Symmetries and Packing Arrangements: Magnetostructural Correlations and ab inito Calculations.","Journal of the American Chemical Society","2016","138","50","16407","16416","10.1021/jacs.6b10154","","","0.71073","MoKα","","0.0246","0.022","","","0.0485","0.0496","","","","","","1.088","","","","has coordinates","241424","2020-10-21","18:00:00",""
"4131139","11.7529","0.0004","15.0871","0.0005","20.3","0.0007","90.776","0.001","102.873","0.001","110.796","0.001","3263.46","0.19","100","2","99.99","","","","","","","","","6","P -1","-P 1","2","","","","- C18 H18 Br2 Co N4 O2 -","- C18 H18 Br1.99933 Co N4 O2 -","- C108 H108 Br11.996 Co6 N24 O12 -","6","3","","Woods, Toby J.; Ballesteros-Rivas, María F; Gómez-Coca, Silvia; Ruiz, Eliseo; Dunbar, Kim R.","Relaxation Dynamics of Identical Trigonal Bipyramidal Cobalt Molecules with Different Local Symmetries and Packing Arrangements: Magnetostructural Correlations and ab inito Calculations.","Journal of the American Chemical Society","2016","138","50","16407","16416","10.1021/jacs.6b10154","","","1.54178","CuKα","","0.0805","0.0685","","","0.1817","0.1951","","","","","","1.059","","","","has coordinates,has disorder","241424","2020-10-21","18:00:00",""
"4131140","12.626","0.004","12.626","0.004","12.626","0.004","90","","90","","90","","2012.8","1.1","110","2","110","2","","","","","","","","5","P 21 3","P 2ac 2ab 3","198","","","","- C18 H18 Br2 Co N4 -","- C18 H18 Br2 Co N4 -","- C72 H72 Br8 Co4 N16 -","4","0.333333","","Woods, Toby J.; Ballesteros-Rivas, María F; Gómez-Coca, Silvia; Ruiz, Eliseo; Dunbar, Kim R.","Relaxation Dynamics of Identical Trigonal Bipyramidal Cobalt Molecules with Different Local Symmetries and Packing Arrangements: Magnetostructural Correlations and ab inito Calculations.","Journal of the American Chemical Society","2016","138","50","16407","16416","10.1021/jacs.6b10154","","","0.71073","MoKα","","0.0333","0.0279","","","0.0626","0.0647","","","","","","1.066","","","","has coordinates","241424","2020-10-21","18:00:00",""
"4131141","9.571","0.0014","14.259","0.002","16.834","0.003","114.841","0.002","100.24","0.002","91.62","0.002","2037.9","0.6","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H18 Co I2 N4 -","- C18 H18 Co I2 N4 -","- C72 H72 Co4 I8 N16 -","4","2","","Woods, Toby J.; Ballesteros-Rivas, María F; Gómez-Coca, Silvia; Ruiz, Eliseo; Dunbar, Kim R.","Relaxation Dynamics of Identical Trigonal Bipyramidal Cobalt Molecules with Different Local Symmetries and Packing Arrangements: Magnetostructural Correlations and ab inito Calculations.","Journal of the American Chemical Society","2016","138","50","16407","16416","10.1021/jacs.6b10154","","","0.71073","MoKα","","0.0525","0.0417","","","0.101","0.1061","","","","","","1.094","","","","has coordinates","241424","2020-10-21","18:00:00",""
"4131142","11.5137","0.0014","24.454","0.003","17.944","0.002","90","","99.287","0.005","90","","4986","1","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","SY3-297","hartwig118","","- C45 H78 O6 P2 Pd2 -","- C45 H78 O6 P2 Pd2 -","- C180 H312 O24 P8 Pd8 -","4","1","","Lee, Sarah Yunmi; Hartwig, John F.","Palladium-Catalyzed, Site-Selective Direct Allylation of Aryl C-H Bonds by Silver-Mediated C-H Activation: A Synthetic and Mechanistic Investigation.","Journal of the American Chemical Society","2016","138","46","15278","15284","10.1021/jacs.6b10220","","","0.71073","MoKα","","0.0444","0.035","","","0.0742","0.081","","","","","","1.183","","","","has coordinates","241425","2020-10-21","18:00:00",""
"4131143","7.5173","0.0003","24.0717","0.0009","8.7398","0.0003","90","","108.162","0.002","90","","1502.71","0.1","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","sy3-052","hartwig115","","- C30 H50 O2 P2 Pd -","- C30 H50 O2 P2 Pd -","- C60 H100 O4 P4 Pd2 -","2","0.5","","Lee, Sarah Yunmi; Hartwig, John F.","Palladium-Catalyzed, Site-Selective Direct Allylation of Aryl C-H Bonds by Silver-Mediated C-H Activation: A Synthetic and Mechanistic Investigation.","Journal of the American Chemical Society","2016","138","46","15278","15284","10.1021/jacs.6b10220","","","0.71073","MoKα","","0.0297","0.0258","","","0.0579","0.0593","","","","","","1.086","","","","has coordinates","241426","2020-10-21","18:00:00",""
"4131144","13.992","0.0006","15.0661","0.0007","15.6337","0.0007","118.564","0.002","91.606","0.002","113.393","0.002","2557.7","0.2","100","2","100","2","","","","","","","","6","P -1","-P 1","2","SY4-140","hartwig130","","- C28 H27 Ag F O4 P -","- C28 H27 Ag F O4 P -","- C112 H108 Ag4 F4 O16 P4 -","4","2","","Lee, Sarah Yunmi; Hartwig, John F.","Palladium-Catalyzed, Site-Selective Direct Allylation of Aryl C-H Bonds by Silver-Mediated C-H Activation: A Synthetic and Mechanistic Investigation.","Journal of the American Chemical Society","2016","138","46","15278","15284","10.1021/jacs.6b10220","","","0.71073","MoKα","","0.0531","0.0408","","","0.0968","0.1038","","","","","","1.046","","","","has coordinates","241427","2020-10-21","18:00:00",""
"4131145","13.2722","0.0009","18.5465","0.0013","12.5552","0.0009","90","","112.916","0.003","90","","2846.6","0.4","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","SY3-172","hartwig110","","- C29 H43 O3 P Pd -","- C29 H43 O3 P Pd -","- C116 H172 O12 P4 Pd4 -","4","1","","Lee, Sarah Yunmi; Hartwig, John F.","Palladium-Catalyzed, Site-Selective Direct Allylation of Aryl C-H Bonds by Silver-Mediated C-H Activation: A Synthetic and Mechanistic Investigation.","Journal of the American Chemical Society","2016","138","46","15278","15284","10.1021/jacs.6b10220","","","0.71073","MoKα","","0.0306","0.0267","","","0.0582","0.0612","","","","","","1.161","","","","has coordinates","241428","2020-10-21","18:00:00",""
"4131146","17.5862","0.0005","10.1733","0.0003","24.2763","0.0008","90","","96.715","0.002","90","","4313.5","0.2","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","SY4-032","hartwig121","","- C20 H34 Ag O3 P -","- C20 H34 Ag O3 P -","- C160 H272 Ag8 O24 P8 -","8","2","","Lee, Sarah Yunmi; Hartwig, John F.","Palladium-Catalyzed, Site-Selective Direct Allylation of Aryl C-H Bonds by Silver-Mediated C-H Activation: A Synthetic and Mechanistic Investigation.","Journal of the American Chemical Society","2016","138","46","15278","15284","10.1021/jacs.6b10220","","","0.71073","MoKα","","0.0695","0.053","","","0.1065","0.1139","","","","","","1.053","","","","has coordinates,has disorder","241429","2020-10-21","18:00:00",""
"4131147","37.6207","0.0017","10.4388","0.0006","15.9363","0.0009","90","","90.951","0.003","90","","6257.6","0.6","100","","100","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C30 H29 B9 F4 Ir N3 -","- C30 H29 B9 F4 Ir N3 -","- C240 H232 B72 F32 Ir8 N24 -","8","1","","Axtell, Jonathan C.; Kirlikovali, Kent O.; Djurovich, Peter I.; Jung, Dahee; Nguyen, Vinh T.; Munekiyo, Brian; Royappa, A. Timothy; Rheingold, Arnold L.; Spokoyny, Alexander M.","Blue Phosphorescent Zwitterionic Iridium(III) Complexes Featuring Weakly Coordinating nido-Carborane-Based Ligands.","Journal of the American Chemical Society","2016","138","48","15758","15765","10.1021/jacs.6b10232","","","0.71073","MoKα","","0.0608","0.0357","","","0.063","0.0696","","","","","","0.967","","","","has coordinates","241430","2020-10-21","18:00:00",""
"4131148","16.2061","0.0013","12.6835","0.0009","16.3956","0.001","90","","92.385","0.005","90","","3367.2","0.4","100","","100","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C30 H29 B9 Cl2 F4 Ir N3 -","- C30 H29 B9 Cl2 F4 Ir N3 -","- C120 H116 B36 Cl8 F16 Ir4 N12 -","4","1","","Axtell, Jonathan C.; Kirlikovali, Kent O.; Djurovich, Peter I.; Jung, Dahee; Nguyen, Vinh T.; Munekiyo, Brian; Royappa, A. Timothy; Rheingold, Arnold L.; Spokoyny, Alexander M.","Blue Phosphorescent Zwitterionic Iridium(III) Complexes Featuring Weakly Coordinating nido-Carborane-Based Ligands.","Journal of the American Chemical Society","2016","138","48","15758","15765","10.1021/jacs.6b10232","","","0.71073","MoKα","","0.0689","0.0497","","","0.1086","0.1195","","","","","","1.0784","","","","has coordinates","241430","2020-10-21","18:00:00",""
"4131149","12.823","0.002","13.237","0.002","18.56","0.003","77.255","0.005","82.784","0.005","83.833","0.005","3038","0.8","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C30.25 H33.5 B9 Cl0.5 Ir N3 -","- C30.25 H33.5 B9 Cl0.5 Ir N3 -","- C121 H134 B36 Cl2 Ir4 N12 -","4","2","","Axtell, Jonathan C.; Kirlikovali, Kent O.; Djurovich, Peter I.; Jung, Dahee; Nguyen, Vinh T.; Munekiyo, Brian; Royappa, A. Timothy; Rheingold, Arnold L.; Spokoyny, Alexander M.","Blue Phosphorescent Zwitterionic Iridium(III) Complexes Featuring Weakly Coordinating nido-Carborane-Based Ligands.","Journal of the American Chemical Society","2016","138","48","15758","15765","10.1021/jacs.6b10232","","","0.71073","MoKα","","0.0278","0.023","","","0.0561","0.0591","","","","","","1.028","","","","has coordinates,has disorder","241430","2020-10-21","18:00:00",""
"4131150","12.8325","0.001","13.1926","0.0009","17.1543","0.0011","90","","104.348","0.003","90","","2813.5","0.3","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C29 H24 B9 Ir N3 -","- C29 H31 B9 Ir N3 -","- C116 H124 B36 Ir4 N12 -","4","1","","Axtell, Jonathan C.; Kirlikovali, Kent O.; Djurovich, Peter I.; Jung, Dahee; Nguyen, Vinh T.; Munekiyo, Brian; Royappa, A. Timothy; Rheingold, Arnold L.; Spokoyny, Alexander M.","Blue Phosphorescent Zwitterionic Iridium(III) Complexes Featuring Weakly Coordinating nido-Carborane-Based Ligands.","Journal of the American Chemical Society","2016","138","48","15758","15765","10.1021/jacs.6b10232","","x-ray","0.71073","MoKα","","0.0455","0.0312","","","0.0671","0.0734","","","","","","1.064","","","","has coordinates","241430","2020-10-21","18:00:00",""
"4131151","12.636","0.003","12.616","0.003","23.911","0.005","90","","90","","90","","3811.8","1.5","113","","113","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C21 H15 F3 N2 O3 -","- C21 H15 F3 N2 O3 -","- C168 H120 F24 N16 O24 -","8","2","","Douki, Kazuya; Ono, Hiroyuki; Taniguchi, Tohru; Shimokawa, Jun; Kitamura, Masato; Fukuyama, Tohru","Enantioselective Total Synthesis of (+)-Hinckdentine A via a Catalytic Dearomatization Approach.","Journal of the American Chemical Society","2016","138","44","14578","14581","10.1021/jacs.6b10237","","","0.71075","MoKα","","","0.042","","","","0.1144","","","","","","1.08","","","","has coordinates","241431","2020-10-21","18:00:00",""
"4131152","19.57","0.002","19.57","0.002","9.704","0.002","90","","90","","90","","3716.5","0.9","173","","","","","","","","","","see text","4","P -4 21 c","P -4 2n","114","","","","- C20 H18 Br2 O2 -","- C20 H18 Br2 O2 -","- C160 H144 Br16 O16 -","8","1","","Abdulkarim, Ali; Hinkel, Felix; Jänsch, Daniel; Freudenberg, Jan; Golling, Florian E.; Müllen, Klaus","A New Solution to an Old Problem: Synthesis of Unsubstituted Poly(para-phenylene).","Journal of the American Chemical Society","2016","138","50","16208","16211","10.1021/jacs.6b10254","","x-ray","0.71073","MoKα","","","","","","","","","","","","","","","","","has coordinates","241432","2020-10-21","18:00:00",""
"4131153","15.1229","0.001","12.2107","0.0006","9.0045","0.0006","90","","101.217","0.005","90","","1631.02","0.18","193","","","","","","","","","","see text","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H14 Br2 O2 -","- C18 H14 Br2 O2 -","- C72 H56 Br8 O8 -","4","1","","Abdulkarim, Ali; Hinkel, Felix; Jänsch, Daniel; Freudenberg, Jan; Golling, Florian E.; Müllen, Klaus","A New Solution to an Old Problem: Synthesis of Unsubstituted Poly(para-phenylene).","Journal of the American Chemical Society","2016","138","50","16208","16211","10.1021/jacs.6b10254","","x-ray","0.71073","MoKα","","","","","","","","","","","","","","","","","has coordinates","241433","2020-10-21","18:00:00",""
"4131154","23.2609","0.0014","10.0529","0.0004","13.4445","0.0008","90","","99.182","0.005","90","","3103.6","0.3","193","","","","","","","","","","see text","3","C 1 2/c 1","-C 2yc","15","","","","- B2 H42 O6 -","- C32 H42 B2 O6 -","- C128 H168 B8 O24 -","4","0.5","","Abdulkarim, Ali; Hinkel, Felix; Jänsch, Daniel; Freudenberg, Jan; Golling, Florian E.; Müllen, Klaus","A New Solution to an Old Problem: Synthesis of Unsubstituted Poly(para-phenylene).","Journal of the American Chemical Society","2016","138","50","16208","16211","10.1021/jacs.6b10254","","x-ray","0.71073","MoKα","","","","","","","","","","","","","","","","","has coordinates","241434","2020-10-21","18:00:00",""
"4131155","5.9556","0.0011","14.713","0.003","16.417","0.004","90","","90","","90","","1438.5","0.5","93","2","93","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C8 H7 B O2 -","- C8 H7 B O2 -","- C64 H56 B8 O16 -","8","2","","Saito, Hayate; Otsuka, Shinya; Nogi, Keisuke; Yorimitsu, Hideki","Nickel-Catalyzed Boron Insertion into the C2-O Bond of Benzofurans.","Journal of the American Chemical Society","2016","138","47","15315","15318","10.1021/jacs.6b10255","","","1.54187","CuKα","","0.0281","0.0273","","","0.0729","0.0734","","","","","","1.005","","","","has coordinates","241435","2020-10-21","18:00:00",""
"4131156","8.1656","0.0012","15.1358","0.0014","15.7979","0.0016","90","","102.468","0.0019","90","","1906.5","0.4","93","2","93","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C30 H16 O2 -","- C30 H16 O2 -","- C120 H64 O8 -","4","1","","Yanagi, Tomoyuki; Otsuka, Shinya; Kasuga, Yuko; Fujimoto, Keisuke; Murakami, Kei; Nogi, Keisuke; Yorimitsu, Hideki; Osuka, Atsuhiro","Metal-Free Approach to Biaryls from Phenols and Aryl Sulfoxides by Temporarily Sulfur-Tethered Regioselective C-H/C-H Coupling.","Journal of the American Chemical Society","2016","138","44","14582","14585","10.1021/jacs.6b10278","","","1.54187","CuKα","","0.0341","0.0313","","","0.0825","0.0844","","","","","","1.046","","","","has coordinates","241436","2020-10-21","18:00:00",""
"4131157","6.828","0.0014","9.559","0.0019","31.669","0.006","90","","90","","90","","2067","0.7","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C24 H34 O3 -","- C24 H34 O3 -","- C96 H136 O12 -","4","1","","Ren, Wenlong; Chang, Wenju; Dai, Jie; Shi, Yuan; Li, Jingfu; Shi, Yian","An Effective Pd-Catalyzed Regioselective Hydroformylation of Olefins with Formic Acid.","Journal of the American Chemical Society","2016","138","45","14864","14867","10.1021/jacs.6b10297","","","0.71073","MoKα","","0.1416","0.0688","","","0.0793","0.0953","","","","","","1.003","","","","has coordinates","241437","2020-10-21","18:00:00",""
"4131158","17.0516","0.0012","7.5368","0.0001","13.2536","0.0002","90","","90","","90","","1703.28","0.12","85","2","85","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C13 H13 B F6 N7 Ni -","- C13 H13 B F6 N7 Ni -","- C52 H52 B4 F24 N28 Ni4 -","4","1","","Bour, James R.; Camasso, Nicole M.; Meucci, Elizabeth A.; Kampf, Jeff W.; Canty, Allan J.; Sanford, Melanie S.","Carbon-Carbon Bond-Forming Reductive Elimination from Isolated Nickel(III) Complexes.","Journal of the American Chemical Society","2016","138","49","16105","16111","10.1021/jacs.6b10350","","","1.54178","CuKα","","0.0266","0.0263","","","0.0636","0.0638","","","","","","1.183","","","","has coordinates","241438","2020-10-21","18:00:00",""
"4131159","14.9798","0.0002","13.0128","0.0002","19.5957","0.0002","90","","90","","90","","3819.77","0.09","85","2","85","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C21 H18 B N6 Ni -","- C21 H18 B N6 Ni -","- C168 H144 B8 N48 Ni8 -","8","1","","Bour, James R.; Camasso, Nicole M.; Meucci, Elizabeth A.; Kampf, Jeff W.; Canty, Allan J.; Sanford, Melanie S.","Carbon-Carbon Bond-Forming Reductive Elimination from Isolated Nickel(III) Complexes.","Journal of the American Chemical Society","2016","138","49","16105","16111","10.1021/jacs.6b10350","","","1.54184","CuKα","","0.0501","0.045","","","0.1171","0.1257","","","","","","1.073","","","","has coordinates","241439","2020-10-21","18:00:00",""
"4131160","20.4982","0.0014","10.1199","0.0002","17.0418","0.0003","90","","90","","90","","3535.1","0.3","85","2","85","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C16 H15 B F3 N6 Ni -","- C16 H15 B F3 N6 Ni -","- C128 H120 B8 F24 N48 Ni8 -","8","2","","Bour, James R.; Camasso, Nicole M.; Meucci, Elizabeth A.; Kampf, Jeff W.; Canty, Allan J.; Sanford, Melanie S.","Carbon-Carbon Bond-Forming Reductive Elimination from Isolated Nickel(III) Complexes.","Journal of the American Chemical Society","2016","138","49","16105","16111","10.1021/jacs.6b10350","","","1.54178","CuKα","","0.0442","0.044","","","0.1094","0.1096","","","","","","1.063","","","","has coordinates","241440","2020-10-21","18:00:00",""
"4131161","7.7348","0.0001","20.0782","0.0002","23.804","0.0002","90","","90.094","0.002","90","","3696.78","0.07","85","2","85","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H22 B N6 Ni -","- C19 H22 B N6 Ni -","- C152 H176 B8 N48 Ni8 -","8","2","","Bour, James R.; Camasso, Nicole M.; Meucci, Elizabeth A.; Kampf, Jeff W.; Canty, Allan J.; Sanford, Melanie S.","Carbon-Carbon Bond-Forming Reductive Elimination from Isolated Nickel(III) Complexes.","Journal of the American Chemical Society","2016","138","49","16105","16111","10.1021/jacs.6b10350","","","1.54178","CuKα","","0.0499","0.0496","","","0.1308","0.1315","","","","","","1.083","","","","has coordinates,has disorder","241441","2020-10-21","18:00:00",""
"4131162","8.50891","0.00008","17.83577","0.00013","15.13048","0.00014","90","","100.464","0.0009","90","","2258.06","0.03","85","2","85","2","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C19 H24 B F3 N6 Ni P -","- C19 H24 B F3 N6 Ni P -","- C76 H96 B4 F12 N24 Ni4 P4 -","4","1","","Bour, James R.; Camasso, Nicole M.; Meucci, Elizabeth A.; Kampf, Jeff W.; Canty, Allan J.; Sanford, Melanie S.","Carbon-Carbon Bond-Forming Reductive Elimination from Isolated Nickel(III) Complexes.","Journal of the American Chemical Society","2016","138","49","16105","16111","10.1021/jacs.6b10350","","","1.54184","CuKα","","0.0269","0.0264","","","0.0667","0.067","","","","","","1.047","","","","has coordinates","241442","2020-10-21","18:00:00",""
"4131163","9.8233","0.0003","24.3526","0.001","13.3575","0.0004","90","","107.704","0.002","90","","3044.09","0.18","193","2","193","2","","","","","","","","5","P 1 n 1","P -2yac","7","","4-(6,11-dibromo-1,4-diphenyl-3-(thiophen-3-yl)triphenylen-2-yl)pyridine","","- C39 H23 Br2 N S -","- C39 H23 Br2 N S -","- C156 H92 Br8 N4 S4 -","4","2","","Chen, Zongping; Zhang, Wen; Palma, Carlos-Andres; Lodi Rizzini, Alberto; Liu, Bilu; Abbas, Ahmad; Richter, Nils; Martini, Leonardo; Wang, Xiao-Ye; Cavani, Nicola; Lu, Hao; Mishra, Neeraj; Coletti, Camilla; Berger, Reinhard; Klappenberger, Florian; Kläui, Mathias; Candini, Andrea; Affronte, Marco; Zhou, Chongwu; De Renzi, Valentina; Del Pennino, Umberto; Barth, Johannes V.; Räder, Hans Joachim; Narita, Akimitsu; Feng, Xinliang; Müllen, Klaus","Synthesis of Graphene Nanoribbons by Ambient-Pressure Chemical Vapor Deposition and Device Integration.","Journal of the American Chemical Society","2016","138","47","15488","15496","10.1021/jacs.6b10374","","","0.71073","MoKα","","0.0737","0.0467","","","0.0982","0.1276","","","","","","1.056","","","","has coordinates,has disorder","241443","2020-10-21","18:00:00",""
"4131164","10.0211","0.0005","16.2229","0.0009","16.7816","0.0008","82.685","0.003","85.938","0.003","76.786","0.003","2631.9","0.2","90","2","90","2","","","","","","","","4","P -1","-P 1","2","","","","- C95 H29 N2 O2 -","- C95 H29 N2 O2 -","- C190 H58 N4 O4 -","2","1","","Aghabali, Amineh; Jun, Sharon; Olmstead, Marilyn M.; Balch, Alan L.","Silver(I)-Mediated Modification, Dimerization, and Polymerization of an Open-Cage Fullerene.","Journal of the American Chemical Society","2016","138","50","16459","16465","10.1021/jacs.6b10394","","","1.54178","CuKα","","0.0893","0.0624","","","0.1601","0.1781","","","","","","1.025","","","","has coordinates,has disorder","241444","2020-10-21","18:00:00",""
"4131165","24.5549","0.0012","13.8358","0.0007","20.011","0.0009","90","","109.893","0.002","90","","6392.8","0.5","90","2","90","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C89 H33.25 Ag2 Cl4 F3 N2 O9 -","- C89 H33.25 Ag2 Cl4 F3 N2 O9 -","- C356 H133 Ag8 Cl16 F12 N8 O36 -","4","1","","Aghabali, Amineh; Jun, Sharon; Olmstead, Marilyn M.; Balch, Alan L.","Silver(I)-Mediated Modification, Dimerization, and Polymerization of an Open-Cage Fullerene.","Journal of the American Chemical Society","2016","138","50","16459","16465","10.1021/jacs.6b10394","","","1.54178","CuKα","","0.1019","0.0964","","","0.2541","0.2587","","","","","","1.09","","","","has coordinates,has disorder","241445","2020-10-21","18:00:00",""
"4131166","11.5733","0.0004","22.8941","0.0008","29.5418","0.0009","71.278","0.002","82.596","0.002","83.746","0.002","7332.4","0.4","90","2","90","2","","","","","","","","5","P -1","-P 1","2","","","","- C172 H63 Ag4 N4 O17 -","- C172 H63 Ag4 N4 O17 -","- C344 H126 Ag8 N8 O34 -","2","1","","Aghabali, Amineh; Jun, Sharon; Olmstead, Marilyn M.; Balch, Alan L.","Silver(I)-Mediated Modification, Dimerization, and Polymerization of an Open-Cage Fullerene.","Journal of the American Chemical Society","2016","138","50","16459","16465","10.1021/jacs.6b10394","","","1.54178","CuKα","","0.1099","0.0912","","","0.232","0.2442","","","","","","1.026","","","","has coordinates,has disorder","241446","2020-10-21","18:00:00",""
"4131167","9.336","0.006","5.059","0.003","19.254","0.012","90","","101.116","0.009","90","","892.3","1","173.15","","173.15","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C20 H20 Br N O -","- C20 H20 Br N O -","- C40 H40 Br2 N2 O2 -","2","1","","Wang, Zi-Xuan; Bai, Xiao-Yan; Yao, Han-Chao; Li, Bi-Jie","Synthesis of Amides with Remote Stereocenters by Catalytic Asymmetric γ-Alkynylation of α,β-Unsaturated Amides.","Journal of the American Chemical Society","2016","138","45","14872","14875","10.1021/jacs.6b10415","","","0.71073","MoKα","","0.0684","0.0575","","","0.092","0.0969","","","","","","1.155","","","","has coordinates","241447","2020-10-21","18:00:00",""
"4131168","12.6957","0.0008","13.7455","0.0007","15.3667","0.0009","104.296","0.002","90.301","0.002","104.17","0.002","2513.3","0.3","100","2","100","","","","","","","","","4","P -1","-P 1","2","[CNArMes2]2","","","- C58 H68 N2 O2 -","- C58 H68 N2 O2 -","- C116 H136 N4 O4 -","2","1","","Agnew, Douglas W.; Gembicky, Milan; Moore, Curtis E.; Rheingold, Arnold L.; Figueroa, Joshua S.","Robust, Transformable, and Crystalline Single-Node Organometallic Networks Constructed from Ditopic m-Terphenyl Isocyanides.","Journal of the American Chemical Society","2016","138","46","15138","15141","10.1021/jacs.6b10460","","","0.71073","MoKα","","0.0774","0.0442","","","0.0958","0.1095","","","","","","1.003","","","","has coordinates","241448","2020-10-21","18:00:00",""
"4131169","13.74","0.003","31.382","0.006","21.01","0.004","90","","99.681","0.003","90","","8930","3","100","2","100","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","Cu-ISOCN-3","","","- C95 H112 Cu F6 N3 O5 P -","- C95 H112 Cu F6 N3 O5 P -","- C380 H448 Cu4 F24 N12 O20 P4 -","4","1","","Agnew, Douglas W.; Gembicky, Milan; Moore, Curtis E.; Rheingold, Arnold L.; Figueroa, Joshua S.","Robust, Transformable, and Crystalline Single-Node Organometallic Networks Constructed from Ditopic m-Terphenyl Isocyanides.","Journal of the American Chemical Society","2016","138","46","15138","15141","10.1021/jacs.6b10460","","","0.71073","MoKα","","0.2176","0.123","","","0.3287","0.3825","","","","","","1.195","","","","has coordinates","241448","2020-10-21","18:00:00",""
"4131170","38.4955","0.0014","17.5041","0.0006","27.6236","0.001","90","","113.737","0.002","90","","17038.9","1.1","100","2","100","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","Cu-ISOCN-2","","","- C79 H79 Cu F6 N3 O P -","- C79 H79 Cu F6 N3 O P -","- C632 H632 Cu8 F48 N24 O8 P8 -","8","1","","Agnew, Douglas W.; Gembicky, Milan; Moore, Curtis E.; Rheingold, Arnold L.; Figueroa, Joshua S.","Robust, Transformable, and Crystalline Single-Node Organometallic Networks Constructed from Ditopic m-Terphenyl Isocyanides.","Journal of the American Chemical Society","2016","138","46","15138","15141","10.1021/jacs.6b10460","","","0.71073","MoKα","","0.1493","0.0999","","","0.2839","0.339","","","","","","1.295","","","","has coordinates,has disorder","241448","2020-10-21","18:00:00",""
"4131171","30.438","0.0014","44.985","0.002","30.3992","0.0014","90","","90","","90","","41624","3","100","2","100","","","","","","","","","7","F d d 2","F 2 -2d","43","Cu-ISOCN-1","","","- C112 H119 Cu F6 N4 O3 P -","- C112 H119 Cu F6 N4 O3 P -","- C1792 H1904 Cu16 F96 N64 O48 P16 -","16","1","","Agnew, Douglas W.; Gembicky, Milan; Moore, Curtis E.; Rheingold, Arnold L.; Figueroa, Joshua S.","Robust, Transformable, and Crystalline Single-Node Organometallic Networks Constructed from Ditopic m-Terphenyl Isocyanides.","Journal of the American Chemical Society","2016","138","46","15138","15141","10.1021/jacs.6b10460","","","1.54178","CuKα","","0.1033","0.0887","","","0.2476","0.2708","","","","","","1.057","","","","has coordinates","241448","2020-10-21","18:00:00",""
"4131172","7.0768","0.0006","8.741","0.0006","19.9486","0.0013","90","","90","","90","","1233.99","0.16","296","2","296.15","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C12 H11 F3 N2 O -","- C12 H11 F3 N2 O -","- C48 H44 F12 N8 O4 -","4","1","","Wang, Fei; Wang, Dinghai; Wan, Xiaolong; Wu, Lianqian; Chen, Pinhong; Liu, Guosheng","Enantioselective Copper-Catalyzed Intermolecular Cyanotrifluoromethylation of Alkenes via Radical Process.","Journal of the American Chemical Society","2016","138","48","15547","15550","10.1021/jacs.6b10468","","","1.54178","CuKα","","0.0587","0.0483","","","0.1367","0.1395","","","","","","1.068","","","","has coordinates","241449","2020-10-21","18:00:00",""
"4131173","7.2323","0.0004","7.7706","0.0004","20.5683","0.001","90","","90","","90","","1155.92","0.1","296","2","296.15","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C12 H12 F3 N -","- C12 H12 F3 N -","- C48 H48 F12 N4 -","4","1","","Wang, Fei; Wang, Dinghai; Wan, Xiaolong; Wu, Lianqian; Chen, Pinhong; Liu, Guosheng","Enantioselective Copper-Catalyzed Intermolecular Cyanotrifluoromethylation of Alkenes via Radical Process.","Journal of the American Chemical Society","2016","138","48","15547","15550","10.1021/jacs.6b10468","","","1.54178","CuKα","","0.0486","0.0471","","","0.1279","0.1305","","","","","","1.116","","","","has coordinates","241450","2020-10-21","18:00:00",""
"4131174","12.8387","0.0008","13.2552","0.0008","14.3715","0.0008","76.202","0.002","75.565","0.002","72.413","0.002","2222.3","0.2","100","2","100","","","","","","","","","6","P -1","-P 1","2","","","","- C42 H68 Mo O2 P2 Si2 -","- C42 H68 Mo O2 P2 Si2 -","- C84 H136 Mo2 O4 P4 Si4 -","2","1","","Buss, Joshua A.; Agapie, Theodor","Mechanism of Molybdenum-Mediated Carbon Monoxide Deoxygenation and Coupling: Mono- and Dicarbyne Complexes Precede C-O Bond Cleavage and C-C Bond Formation.","Journal of the American Chemical Society","2016","138","50","16466","16477","10.1021/jacs.6b10535","","","0.71073","MoKα","","0.0825","0.0447","","","0.0721","0.0802","","","","","","1.04","","","","has coordinates,has disorder","241451","2020-10-21","18:00:00",""
"4131175","9.276","0.0003","11.7913","0.0004","16.9954","0.0006","108.182","0.001","100.246","0.001","98.836","0.001","1693.88","0.1","100","","100","","","","","","","","","7","P -1","-P 1","2","","","","- C35 H49 Cl Mo O P2 Si -","- C35 H49 Cl Mo O P2 Si -","- C70 H98 Cl2 Mo2 O2 P4 Si2 -","2","1","","Buss, Joshua A.; Agapie, Theodor","Mechanism of Molybdenum-Mediated Carbon Monoxide Deoxygenation and Coupling: Mono- and Dicarbyne Complexes Precede C-O Bond Cleavage and C-C Bond Formation.","Journal of the American Chemical Society","2016","138","50","16466","16477","10.1021/jacs.6b10535","","","0.71073","MoKα","","0.0331","0.0242","","","0.0541","0.0568","","","","","","1.039","","","","has coordinates","241451","2020-10-21","18:00:00",""
"4131176","24.5299","0.0016","24.5299","0.0016","16.0593","0.0011","90","","90","","90","","9663.1","1.1","173","2","173.15","","","","","","","","","6","P 41 21 2","P 4abw 2nw","92","","","","- C46 H48 Cl2 N10 O10 Zn2 -","- C46 H48 Cl2 N10 O10 Zn2 -","- C368 H384 Cl16 N80 O80 Zn16 -","8","1","","Pramanik, Susnata; Aprahamian, Ivan","Hydrazone Switch-Based Negative Feedback Loop.","Journal of the American Chemical Society","2016","138","46","15142","15145","10.1021/jacs.6b10542","","","0.71073","MoKα","","0.0907","0.0524","","","0.1152","0.1356","","","","","","1.025","","","","has coordinates","241452","2020-10-21","18:00:00",""
"4131177","13.303","0.0019","10.8081","0.0015","13.6576","0.0019","90","","112.965","0.0016","90","","1808.1","0.4","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C21 H22 N4 O -","- C21 H22 N4 O -","- C84 H88 N16 O4 -","4","1","","Pramanik, Susnata; Aprahamian, Ivan","Hydrazone Switch-Based Negative Feedback Loop.","Journal of the American Chemical Society","2016","138","46","15142","15145","10.1021/jacs.6b10542","","","0.71073","MoKα","","0.0714","0.0492","","","0.1341","0.1562","","","","","","1.065","","","","has coordinates","241453","2020-10-21","18:00:00",""
"4131178","14.6897","0.0007","11.2855","0.0006","26.2745","0.0013","90","","92.616","0.001","90","","4351.3","0.4","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C46 H58 N4 P S2 V -","- C46 H57.2406 N4 P S2 V -","- C184 H228.962 N16 P4 S8 V4 -","4","1","","Courtemanche, Marc-André; Transue, Wesley J.; Cummins, Christopher C.","Phosphinidene Reactivity of a Transient Vanadium P≡N Complex.","Journal of the American Chemical Society","2016","138","50","16220","16223","10.1021/jacs.6b10545","","","0.71073","MoKα","","0.0513","0.0405","","","0.1022","0.109","","","","","","1.024","","","","has coordinates,has disorder","241454","2020-10-21","18:00:00",""
"4131179","10.712","0.007","10.766","0.006","20.493","0.012","93.01","0.011","95.875","0.011","111.081","0.01","2183","2","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C44 H70 N4 P V -","- C44 H70 N4 P V -","- C88 H140 N8 P2 V2 -","2","1","","Courtemanche, Marc-André; Transue, Wesley J.; Cummins, Christopher C.","Phosphinidene Reactivity of a Transient Vanadium P≡N Complex.","Journal of the American Chemical Society","2016","138","50","16220","16223","10.1021/jacs.6b10545","","","0.71073","MoKα","","0.082","0.0508","","","0.1213","0.1369","","","","","","1.038","","","","has coordinates,has disorder","241455","2020-10-21","18:00:00",""
"4131180","10.5666","0.0009","11.456","0.001","17.0471","0.0014","88.103","0.002","75.493","0.002","81.77","0.002","1977.2","0.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C41 H62 N4 P V -","- C41 H62 N4 P V -","- C82 H124 N8 P2 V2 -","2","1","","Courtemanche, Marc-André; Transue, Wesley J.; Cummins, Christopher C.","Phosphinidene Reactivity of a Transient Vanadium P≡N Complex.","Journal of the American Chemical Society","2016","138","50","16220","16223","10.1021/jacs.6b10545","","","0.71073","MoKα","","0.0884","0.0571","","","0.1361","0.1525","","","","","","1.043","","","","has coordinates,has disorder","241456","2020-10-21","18:00:00",""
"4131181","12.1402","0.0006","17.3686","0.001","34.052","0.002","90","","97.011","0.001","90","","7126.5","0.7","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C72 H108 N8 P2 V2 -","- C72 H108 N8 P2 V2 -","- C288 H432 N32 P8 V8 -","4","0.5","","Courtemanche, Marc-André; Transue, Wesley J.; Cummins, Christopher C.","Phosphinidene Reactivity of a Transient Vanadium P≡N Complex.","Journal of the American Chemical Society","2016","138","50","16220","16223","10.1021/jacs.6b10545","","","0.71073","MoKα","","0.0484","0.0405","","","0.1047","0.1119","","","","","","1.024","","","","has coordinates,has disorder","241457","2020-10-21","18:00:00",""
"4131182","29.333","0.0012","29.333","0.0012","23.124","0.001","90","","90","","120","","17230.8","1.2","100","2","100","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C76 H118 N8 O P2 V2 -","- C76 H118 N8 O P1.9998 V2 -","- C684 H1062 N72 O9 P17.9982 V18 -","9","0.5","","Courtemanche, Marc-André; Transue, Wesley J.; Cummins, Christopher C.","Phosphinidene Reactivity of a Transient Vanadium P≡N Complex.","Journal of the American Chemical Society","2016","138","50","16220","16223","10.1021/jacs.6b10545","","","0.71073","MoKα","","0.0644","0.0555","","","0.1411","0.1493","","","","","","1.02","","","","has coordinates,has disorder","241458","2020-10-21","18:00:00",""
"4131183","10.0794","0.0019","13.775","0.005","16.137","0.005","100.904","0.009","102.293","0.006","95.348","0.008","2128.7","1.1","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C74 H136 Cl10 In2 P4 Pt2 -","- C74 H136 Cl10 In2 P4 Pt2 -","- C74 H136 Cl10 In2 P4 Pt2 -","1","0.5","","Bertermann, Rüdiger; Böhnke, Julian; Braunschweig, Holger; Dewhurst, Rian D.; Kupfer, Thomas; Muessig, Jonas H.; Pentecost, Leanne; Radacki, Krzysztof; Sen, Sakya S.; Vargas, Alfredo","Dynamic, Reversible Oxidative Addition of Highly Polar Bonds to a Transition Metal.","Journal of the American Chemical Society","2016","138","49","16140","16147","10.1021/jacs.6b10609","","","0.71073","MoKα","","0.0264","0.0235","","","0.0561","0.0582","","","","","","1.053","","","","has coordinates","241459","2020-10-21","18:00:00",""
"4131184","18.21","0.03","18.2","0.03","24.12","0.04","90","","90","","90","","7994","2","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C36 H66 Br3 In P2 Pt -","- C36 H66 Br3 In P2 Pt -","- C288 H528 Br24 In8 P16 Pt8 -","8","1","","Bertermann, Rüdiger; Böhnke, Julian; Braunschweig, Holger; Dewhurst, Rian D.; Kupfer, Thomas; Muessig, Jonas H.; Pentecost, Leanne; Radacki, Krzysztof; Sen, Sakya S.; Vargas, Alfredo","Dynamic, Reversible Oxidative Addition of Highly Polar Bonds to a Transition Metal.","Journal of the American Chemical Society","2016","138","49","16140","16147","10.1021/jacs.6b10609","","","0.71073","MoKα","","0.03","0.0239","","","0.0606","0.0641","","","","","","1.034","","","","has coordinates","241459","2020-10-21","18:00:00",""
"4131185","20.3253","0.0016","17.5271","0.0016","23.86","0.002","90","","95.22","0.003","90","","8464.7","1.2","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C36 H66 I3 In P2 Pt -","- C36 H66 I3 In P2 Pt -","- C288 H528 I24 In8 P16 Pt8 -","8","2","","Bertermann, Rüdiger; Böhnke, Julian; Braunschweig, Holger; Dewhurst, Rian D.; Kupfer, Thomas; Muessig, Jonas H.; Pentecost, Leanne; Radacki, Krzysztof; Sen, Sakya S.; Vargas, Alfredo","Dynamic, Reversible Oxidative Addition of Highly Polar Bonds to a Transition Metal.","Journal of the American Chemical Society","2016","138","49","16140","16147","10.1021/jacs.6b10609","","","0.71073","MoKα","","0.0485","0.0379","","","0.073","0.08","","","","","","1.245","","","","has coordinates","241459","2020-10-21","18:00:00",""
"4131186","10.039","0.005","11.374","0.002","18.113","0.009","85.665","0.018","84.79","0.03","79.33","0.03","2020.4","1.5","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C39 H57 Cl3 In N2 P Pt -","- C39 H57 Cl3 In N2 P Pt -","- C78 H114 Cl6 In2 N4 P2 Pt2 -","2","1","","Bertermann, Rüdiger; Böhnke, Julian; Braunschweig, Holger; Dewhurst, Rian D.; Kupfer, Thomas; Muessig, Jonas H.; Pentecost, Leanne; Radacki, Krzysztof; Sen, Sakya S.; Vargas, Alfredo","Dynamic, Reversible Oxidative Addition of Highly Polar Bonds to a Transition Metal.","Journal of the American Chemical Society","2016","138","49","16140","16147","10.1021/jacs.6b10609","","","0.71073","MoKα","","0.0173","0.0156","","","0.0381","0.0389","","","","","","1.065","","","","has coordinates,has disorder","241459","2020-10-21","18:00:00",""
"4131187","9.7448","0.0005","11.3216","0.0006","21.2806","0.0011","99.695","0.002","98.538","0.002","103.025","0.002","2211.9","0.2","103","2","103","2","","","","","","","","8","P -1","-P 1","2","","","","- C40 H59 Br3 Cl2 In N2 P Pt -","- C40 H59 Br3 Cl2 In N2 P Pt -","- C80 H118 Br6 Cl4 In2 N4 P2 Pt2 -","2","1","","Bertermann, Rüdiger; Böhnke, Julian; Braunschweig, Holger; Dewhurst, Rian D.; Kupfer, Thomas; Muessig, Jonas H.; Pentecost, Leanne; Radacki, Krzysztof; Sen, Sakya S.; Vargas, Alfredo","Dynamic, Reversible Oxidative Addition of Highly Polar Bonds to a Transition Metal.","Journal of the American Chemical Society","2016","138","49","16140","16147","10.1021/jacs.6b10609","","","0.71073","MoKα","","0.0176","0.0171","","","0.0416","0.0418","","","","","","1.111","","","","has coordinates","241459","2020-10-21","18:00:00",""
"4131188","11.252","0.003","13.5715","0.0018","14.616","0.003","90","","100.154","0.009","90","","2197","0.8","100","2","100","2","","","","","","","","8","P 1 21 1","P 2yb","4","","","","- C40 H59 Br3 Cl2 In N2 P Pt -","- C40 H59 Br3 Cl2 In N2 P Pt -","- C80 H118 Br6 Cl4 In2 N4 P2 Pt2 -","2","1","","Bertermann, Rüdiger; Böhnke, Julian; Braunschweig, Holger; Dewhurst, Rian D.; Kupfer, Thomas; Muessig, Jonas H.; Pentecost, Leanne; Radacki, Krzysztof; Sen, Sakya S.; Vargas, Alfredo","Dynamic, Reversible Oxidative Addition of Highly Polar Bonds to a Transition Metal.","Journal of the American Chemical Society","2016","138","49","16140","16147","10.1021/jacs.6b10609","","","0.71073","MoKα","","0.0267","0.0254","","","0.053","0.0533","","","","","","1.02","","","","has coordinates","241459","2020-10-21","18:00:00",""
"4131189","19.3025","0.001","14.6591","0.0007","15.6982","0.0008","90","","105.338","0.002","90","","4283.7","0.4","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C39 H57 I3 In N2 P Pt -","- C39 H57 I3 In N2 P Pt -","- C156 H228 I12 In4 N8 P4 Pt4 -","4","1","","Bertermann, Rüdiger; Böhnke, Julian; Braunschweig, Holger; Dewhurst, Rian D.; Kupfer, Thomas; Muessig, Jonas H.; Pentecost, Leanne; Radacki, Krzysztof; Sen, Sakya S.; Vargas, Alfredo","Dynamic, Reversible Oxidative Addition of Highly Polar Bonds to a Transition Metal.","Journal of the American Chemical Society","2016","138","49","16140","16147","10.1021/jacs.6b10609","","","0.71073","MoKα","","0.0461","0.0285","","","0.05","0.0558","","","","","","1.073","","","","has coordinates","241459","2020-10-21","18:00:00",""
"4131190","10.537","0.008","18.202","0.005","17.746","0.01","90","","96.12","0.03","90","","3384","3","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C28 H51 Cl3 In N2 P Pt -","- C28 H51 Cl3 In N2 P Pt -","- C112 H204 Cl12 In4 N8 P4 Pt4 -","4","1","","Bertermann, Rüdiger; Böhnke, Julian; Braunschweig, Holger; Dewhurst, Rian D.; Kupfer, Thomas; Muessig, Jonas H.; Pentecost, Leanne; Radacki, Krzysztof; Sen, Sakya S.; Vargas, Alfredo","Dynamic, Reversible Oxidative Addition of Highly Polar Bonds to a Transition Metal.","Journal of the American Chemical Society","2016","138","49","16140","16147","10.1021/jacs.6b10609","","","0.71073","MoKα","","0.0244","0.0177","","","0.0382","0.0408","","","","","","1.096","","","","has coordinates","241460","2020-10-21","18:00:00",""
"4131191","12.626","0.012","20.121","0.016","14.367","0.01","90","","105.01","0.04","90","","3525","5","170","2","170","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C28 H51 Br3 In N2 P Pt -","- C28 H51 Br3 In N2 P Pt -","- C112 H204 Br12 In4 N8 P4 Pt4 -","4","1","","Bertermann, Rüdiger; Böhnke, Julian; Braunschweig, Holger; Dewhurst, Rian D.; Kupfer, Thomas; Muessig, Jonas H.; Pentecost, Leanne; Radacki, Krzysztof; Sen, Sakya S.; Vargas, Alfredo","Dynamic, Reversible Oxidative Addition of Highly Polar Bonds to a Transition Metal.","Journal of the American Chemical Society","2016","138","49","16140","16147","10.1021/jacs.6b10609","","","0.71073","MoKα","","0.0607","0.0389","","","0.0755","0.0841","","","","","","1.06","","","","has coordinates","241460","2020-10-21","18:00:00",""
"4131192","15.844","0.007","11.462","0.005","21.628","0.009","90","","107.92","0.02","90","","3737","3","103","2","103","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C28 H51 I3 In N2 P Pt -","- C28 H51 I3 In N2 P Pt -","- C112 H204 I12 In4 N8 P4 Pt4 -","4","1","","Bertermann, Rüdiger; Böhnke, Julian; Braunschweig, Holger; Dewhurst, Rian D.; Kupfer, Thomas; Muessig, Jonas H.; Pentecost, Leanne; Radacki, Krzysztof; Sen, Sakya S.; Vargas, Alfredo","Dynamic, Reversible Oxidative Addition of Highly Polar Bonds to a Transition Metal.","Journal of the American Chemical Society","2016","138","49","16140","16147","10.1021/jacs.6b10609","","","0.71073","MoKα","","0.0294","0.0228","","","0.048","0.0507","","","","","","1.084","","","","has coordinates","241460","2020-10-21","18:00:00",""
"4131193","10.3824","0.0015","17.613","0.002","19.569","0.003","90","","91.543","0.005","90","","3577.2","0.9","103","2","103","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C32 H55 Cl3 In N2 P Pt -","- C32 H55 Cl3 In N2 P Pt -","- C128 H220 Cl12 In4 N8 P4 Pt4 -","4","1","","Bertermann, Rüdiger; Böhnke, Julian; Braunschweig, Holger; Dewhurst, Rian D.; Kupfer, Thomas; Muessig, Jonas H.; Pentecost, Leanne; Radacki, Krzysztof; Sen, Sakya S.; Vargas, Alfredo","Dynamic, Reversible Oxidative Addition of Highly Polar Bonds to a Transition Metal.","Journal of the American Chemical Society","2016","138","49","16140","16147","10.1021/jacs.6b10609","","","0.71073","MoKα","","0.0155","0.0147","","","0.0376","0.0379","","","","","","1.048","","","","has coordinates","241460","2020-10-21","18:00:00",""
"4131194","26.842","0.005","11.4344","0.0019","18.267","0.005","90","","125.656","0.012","90","","4555.5","1.8","100","2","100","2","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C44 H67 Cl3 In N2 P Pt -","- C44 H67 Cl3 In N2 P Pt -","- C176 H268 Cl12 In4 N8 P4 Pt4 -","4","1","","Bertermann, Rüdiger; Böhnke, Julian; Braunschweig, Holger; Dewhurst, Rian D.; Kupfer, Thomas; Muessig, Jonas H.; Pentecost, Leanne; Radacki, Krzysztof; Sen, Sakya S.; Vargas, Alfredo","Dynamic, Reversible Oxidative Addition of Highly Polar Bonds to a Transition Metal.","Journal of the American Chemical Society","2016","138","49","16140","16147","10.1021/jacs.6b10609","","","0.71073","MoKα","","0.0216","0.019","","","0.038","0.0389","","","","","","0.807","","","","has coordinates","241460","2020-10-21","18:00:00",""
"4131195","14.1686","0.0004","18.407","0.0005","23.6583","0.0008","90","","102.763","0.001","90","","6017.7","0.3","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C47.15 H87.28 Cl11.27 In P3 Pt -","- C47.138 H87.276 Cl11.276 In P3 Pt -","- C188.552 H349.104 Cl45.104 In4 P12 Pt4 -","4","1","","Bertermann, Rüdiger; Böhnke, Julian; Braunschweig, Holger; Dewhurst, Rian D.; Kupfer, Thomas; Muessig, Jonas H.; Pentecost, Leanne; Radacki, Krzysztof; Sen, Sakya S.; Vargas, Alfredo","Dynamic, Reversible Oxidative Addition of Highly Polar Bonds to a Transition Metal.","Journal of the American Chemical Society","2016","138","49","16140","16147","10.1021/jacs.6b10609","","","0.71073","MoKα","","0.0435","0.0339","","","0.0728","0.0788","","","","","","1.058","","","","has coordinates,has disorder","241460","2020-10-21","18:00:00",""
"4131196","14.0146","0.0015","17.9899","0.0019","24.582","0.003","90","","101.702","0.003","90","","6068.8","1.2","103","2","103","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C48 H89 Cl11 In P3 Pt -","- C48 H89 Cl11 In P3 Pt -","- C192 H356 Cl44 In4 P12 Pt4 -","4","1","","Bertermann, Rüdiger; Böhnke, Julian; Braunschweig, Holger; Dewhurst, Rian D.; Kupfer, Thomas; Muessig, Jonas H.; Pentecost, Leanne; Radacki, Krzysztof; Sen, Sakya S.; Vargas, Alfredo","Dynamic, Reversible Oxidative Addition of Highly Polar Bonds to a Transition Metal.","Journal of the American Chemical Society","2016","138","49","16140","16147","10.1021/jacs.6b10609","","","0.71073","MoKα","","0.1071","0.0571","","","0.1029","0.1196","","","","","","1.016","","","","has coordinates,has disorder","241460","2020-10-21","18:00:00",""
"4131197","13.0165","0.0008","22.8785","0.0015","18.2202","0.0013","90","","91.732","0.002","90","","5423.5","0.6","100","2","100","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C53 H66 Br3 F4 In N3 P Pt -","- C53 H66 Br3 F4 In N3 P Pt -","- C212 H264 Br12 F16 In4 N12 P4 Pt4 -","4","1","","Bertermann, Rüdiger; Böhnke, Julian; Braunschweig, Holger; Dewhurst, Rian D.; Kupfer, Thomas; Muessig, Jonas H.; Pentecost, Leanne; Radacki, Krzysztof; Sen, Sakya S.; Vargas, Alfredo","Dynamic, Reversible Oxidative Addition of Highly Polar Bonds to a Transition Metal.","Journal of the American Chemical Society","2016","138","49","16140","16147","10.1021/jacs.6b10609","","","0.71073","MoKα","","0.0353","0.0261","","","0.0576","0.0602","","","","","","1.064","","","","has coordinates","241460","2020-10-21","18:00:00",""
"4131198","6.069","0.0003","16.0832","0.0008","23.2308","0.0013","90","","90","","90","","2267.5","0.2","292","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C22 H30 Br N O5 -","- C22 H30 Br N O5 -","- C88 H120 Br4 N4 O20 -","4","1","","Liu, Yidong; Ao, Jun; Paladhi, Sushovan; Song, Choong Eui; Yan, Hailong","Organocatalytic Asymmetric Synthesis of Chiral Dioxazinanes and Dioxazepanes with in Situ Generated Nitrones via a Tandem Reaction Pathway Using a Cooperative Cation Binding Catalyst.","Journal of the American Chemical Society","2016","138","50","16486","16492","10.1021/jacs.6b10660","","","0.71073","MoKα","","0.0923","0.0466","","","0.0639","0.0779","","","","","","1.045","","","","has coordinates","241461","2020-10-21","18:00:00",""
"4131199","17.7644","0.0004","11.6635","0.0002","32.0041","0.0007","90","","90","","90","","6631.1","0.2","120","2","120","2","","","","","","","","3","P c a 21","P 2c -2ac","29","","","","- C37 H46 N10 -","- C37 H46 N10 -","- C296 H368 N80 -","8","2","","Clarke, Harriet J.; Howe, Ethan N. W.; Wu, Xin; Sommer, Fabian; Yano, Masafumi; Light, Mark E.; Kubik, Stefan; Gale, Philip A.","Transmembrane Fluoride Transport: Direct Measurement and Selectivity Studies.","Journal of the American Chemical Society","2016","138","50","16515","16522","10.1021/jacs.6b10694","","x-ray","0.71073","MoKα","","0.0731","0.0514","","","0.1123","0.1228","","","","","","1.031","","","","has coordinates","241462","2020-10-21","18:00:00",""
"4131200","13.5283","0.0007","22.8407","0.0008","18.0121","0.0008","90","","109.545","0.005","90","","5245","0.4","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C53 H82 F N11 -","- C53 H82 F N11 -","- C212 H328 F4 N44 -","4","1","","Clarke, Harriet J.; Howe, Ethan N. W.; Wu, Xin; Sommer, Fabian; Yano, Masafumi; Light, Mark E.; Kubik, Stefan; Gale, Philip A.","Transmembrane Fluoride Transport: Direct Measurement and Selectivity Studies.","Journal of the American Chemical Society","2016","138","50","16515","16522","10.1021/jacs.6b10694","","x-ray","0.71073","MoKα","","0.1702","0.0869","","","0.1979","0.2378","","","","","","1.018","","","","has coordinates,has disorder","241464","2020-10-21","18:00:00",""
"4131201","13.5356","0.0002","22.6654","0.0004","18.2173","0.0003","90","","109.617","0.001","90","","5264.49","0.15","120","2","120","2","","","","","","","Masafumi Yano","4","P 1 21/n 1","-P 2yn","14","","","","- C53 H82 Cl N11 -","- C53 H82 Cl N11 -","- C212 H328 Cl4 N44 -","4","1","","Clarke, Harriet J.; Howe, Ethan N. W.; Wu, Xin; Sommer, Fabian; Yano, Masafumi; Light, Mark E.; Kubik, Stefan; Gale, Philip A.","Transmembrane Fluoride Transport: Direct Measurement and Selectivity Studies.","Journal of the American Chemical Society","2016","138","50","16515","16522","10.1021/jacs.6b10694","","","0.71073","MoKα","","0.0908","0.0584","","","0.1473","0.1653","","","","","","1.029","","","","has coordinates","241465","2020-10-21","18:00:00",""
"4131202","11.5405","0.0003","20.3342","0.0004","20.4173","0.0005","117.361","0.002","97.175","0.002","90.5504","0.0018","4209.71","0.19","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C42 H60 Cs F N10 O2 -","- C42 H60 Cs F N10 O2 -","- C168 H240 Cs4 F4 N40 O8 -","4","2","","Clarke, Harriet J.; Howe, Ethan N. W.; Wu, Xin; Sommer, Fabian; Yano, Masafumi; Light, Mark E.; Kubik, Stefan; Gale, Philip A.","Transmembrane Fluoride Transport: Direct Measurement and Selectivity Studies.","Journal of the American Chemical Society","2016","138","50","16515","16522","10.1021/jacs.6b10694","","x-ray","0.71073","MoKα","","0.0697","0.0532","","","0.1229","0.1312","","","","","","1.027","","","","has coordinates,has disorder","241466","2020-10-21","18:00:00",""
"4131203","44.997","0.018","11.379","0.004","22.258","0.009","90","","95.284","0.006","90","","11348","8","90","2","90","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","C84Ad","","","- C106 H22 Cl4 -","- C106 H22 Cl4 -","- C848 H176 Cl32 -","8","1","","Yamada, Michio; Tanabe, Yukiko; Dang, Jing-Shuang; Sato, Satoru; Mizorogi, Naomi; Hachiya, Makoto; Suzuki, Mitsuaki; Abe, Tsuneyuki; Kurihara, Hiroki; Maeda, Yutaka; Zhao, Xiang; Lian, Yongfu; Nagase, Shigeru; Akasaka, Takeshi","D<sub>2d</sub>(23)-C<sub>84</sub> versus Sc<sub>2</sub>C<sub>2</sub>@D<sub>2d</sub>(23)-C<sub>84</sub>: Impact of Endohedral Sc<sub>2</sub>C<sub>2</sub> Doping on Chemical Reactivity in the Photolysis of Diazirine.","Journal of the American Chemical Society","2016","138","50","16523","16532","10.1021/jacs.6b10751","","x-ray","0.6889","synchrotron","","0.1177","0.0474","","","0.0978","0.1093","","","","","","0.766","","","","has coordinates,has disorder","241467","2020-10-21","18:00:00",""
"4131204","11.2973","0.0002","14.9219","0.0003","16.4784","0.0003","89.057","0.001","76.546","0.001","74.112","0.001","2595.13","0.09","90","","90","","","","","","","","","5","P -1","-P 1","2","Sc2C2@D2d(23)-C84(Ad)","","","- C102.2 H17.68 Cl1.84 S1.32 Sc2 -","- C102.18 H17.68 Cl1.84 S1.32 Sc2 -","- C204.36 H35.36 Cl3.68 S2.64 Sc4 -","2","1","","Yamada, Michio; Tanabe, Yukiko; Dang, Jing-Shuang; Sato, Satoru; Mizorogi, Naomi; Hachiya, Makoto; Suzuki, Mitsuaki; Abe, Tsuneyuki; Kurihara, Hiroki; Maeda, Yutaka; Zhao, Xiang; Lian, Yongfu; Nagase, Shigeru; Akasaka, Takeshi","D<sub>2d</sub>(23)-C<sub>84</sub> versus Sc<sub>2</sub>C<sub>2</sub>@D<sub>2d</sub>(23)-C<sub>84</sub>: Impact of Endohedral Sc<sub>2</sub>C<sub>2</sub> Doping on Chemical Reactivity in the Photolysis of Diazirine.","Journal of the American Chemical Society","2016","138","50","16523","16532","10.1021/jacs.6b10751","","","0.71073","MoKα","","0.0966","0.0848","","","0.2301","0.243","","","","","","1.033","","","","has coordinates,has disorder","241468","2020-10-21","18:00:00",""
"4131205","8.9976","0.0003","12.5054","0.0004","24.0168","0.0005","94.504","0.002","99.812","0.002","109.967","0.003","2475.32","0.14","100","0.1","100","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C50 H44 Cl2 N2 O6 Pd -","- C50 H44 Cl2 N2 O6 Pd -","- C100 H88 Cl4 N4 O12 Pd2 -","2","1","","Yu, Chengyuan; Ma, Lishuang; He, Jiaojiao; Xiang, Junfeng; Deng, Xuebin; Wang, Ying; Chen, Xuebo; Jiang, Hua","Flexible, Linear Chains Act as Baffles To Inhibit the Intramolecular Rotation of Molecular Turnstiles.","Journal of the American Chemical Society","2016","138","49","15849","15852","10.1021/jacs.6b10816","","x-ray","1.54184","CuKα","","0.0683","0.0624","","","0.1714","0.1775","","","","","","1.037","","","","has coordinates,has disorder","241469","2020-10-21","18:00:00",""
"4131206","14.7646","0.0004","8.9396","0.0002","16.5413","0.0004","90","","90.091","0.001","90","","2183.28","0.09","100","2","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C22 H27 Cl N4 O3 -","- C22 H27 Cl N4 O3 -","- C88 H108 Cl4 N16 O12 -","4","1","","Shi, Hang; Wang, Peng; Suzuki, Shin; Farmer, Marcus E.; Yu, Jin-Quan","Ligand Promoted meta-C-H Chlorination of Anilines and Phenols.","Journal of the American Chemical Society","2016","138","45","14876","14879","10.1021/jacs.6b11055","","x-ray","1.54178","CuKα","","0.0382","0.037","","","0.0908","0.0915","","","","","","1.063","","","","has coordinates","241470","2020-10-21","18:00:00",""
"4131207","32.5352","0.0011","32.5352","0.0011","30.2469","0.001","90","","90","","120","","27728","1.6","120","2","120","2","","","","","","","","5","P -6 m 2","P -6 2","187","{Ni24(TC4A-SO2)6(TDC)12(H2O)6}","","","- C312 H300 Ni24 O126 S36 -","- C312 H144 Ni24 O126 S36 -","- C312 H144 Ni24 O126 S36 -","1","0.0833333","","Wang, Shentang; Gao, Xiaohui; Hang, Xinxin; Zhu, Xiaofei; Han, Haitao; Liao, Wuping; Chen, Wei","Ultrafine Pt Nanoclusters Confined in a Calixarene-Based {Ni<sub>24</sub>} Coordination Cage for High-Efficient Hydrogen Evolution Reaction.","Journal of the American Chemical Society","2016","138","50","16236","16239","10.1021/jacs.6b11218","","","1.54178","CuKα","","0.0759","0.0743","","","0.1889","0.1905","","","","","","1.08","","","","has coordinates","241471","2020-10-21","18:00:00",""
"4131208","38.513","0.008","22.18","0.004","27.38","0.006","90","","102.49","0.03","90","","22835","8","190","2","190","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","{Co12 (TC4A-SO2)3 (TDC)6 Cl3}","","","- C156 H144 Cl3 Co12 O60 S18 -","- C156 H144 Cl3 Co12 O60 S18 -","- C624 H576 Cl12 Co48 O240 S72 -","4","0.5","","Wang, Shentang; Gao, Xiaohui; Hang, Xinxin; Zhu, Xiaofei; Han, Haitao; Liao, Wuping; Chen, Wei","Ultrafine Pt Nanoclusters Confined in a Calixarene-Based {Ni<sub>24</sub>} Coordination Cage for High-Efficient Hydrogen Evolution Reaction.","Journal of the American Chemical Society","2016","138","50","16236","16239","10.1021/jacs.6b11218","","","0.71073","MoKα","","0.103","0.0651","","","0.165","0.1826","","","","","","0.986","","","","has coordinates","241472","2020-10-21","18:00:00",""
"4131209","6.8167","0.0003","14.7936","0.0006","15.5874","0.0006","90","","90","","90","","1571.89","0.11","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C21 H20 N -","- C21 H19 N -","- C84 H76 N4 -","4","1","","Jiao, Zhiwei; Chee, Kwok Wei; Zhou, Jianrong Steve","Palladium-Catalyzed Asymmetric α-Arylation of Alkylnitriles.","Journal of the American Chemical Society","2016","138","50","16240","16243","10.1021/jacs.6b11610","","","1.54178","CuKα","","0.0534","0.053","","","0.1302","0.1309","","","","","","1.18","","","","has coordinates","241473","2020-10-21","18:00:00",""
"4131210","12.0712","0.0018","13.679","0.002","15.741","0.002","81.46","0.003","84.332","0.004","73.752","0.003","2463.2","0.6","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C30 H32 O6 -","- C30 H32 O6 -","- C120 H128 O24 -","4","2","","Sato, Hiroki; Bender, Matthias; Chen, Weijie; Krische, Michael J.","Diols, α-Ketols, and Diones as 2<sub>2π</sub> Components in [2+2+2] Cycloadditions of 1,6-Diynes via Ruthenium(0)-Catalyzed Transfer Hydrogenation.","Journal of the American Chemical Society","2016","138","50","16244","16247","10.1021/jacs.6b11746","","","0.71073","MoKα","","0.073","0.0521","","","0.117","0.1268","","","","","","1.045","","","","has coordinates,has disorder","241474","2020-10-21","18:00:00",""
"4131211","23.8752","0.0008","12.5466","0.0004","29.7667","0.001","90","","100.702","0.003","90","","8761.6","0.5","100","2","100","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C53 H48 O6 P2 Ru -","- C53 H48 O6 P2 Ru -","- C424 H384 O48 P16 Ru8 -","8","1","","Sato, Hiroki; Bender, Matthias; Chen, Weijie; Krische, Michael J.","Diols, α-Ketols, and Diones as 2<sub>2π</sub> Components in [2+2+2] Cycloadditions of 1,6-Diynes via Ruthenium(0)-Catalyzed Transfer Hydrogenation.","Journal of the American Chemical Society","2016","138","50","16244","16247","10.1021/jacs.6b11746","","","1.54184","CuKα","","0.0489","0.0478","","","0.1318","0.134","","","","","","1.023","","","","has coordinates","241475","2020-10-21","18:00:00",""
"4344379","13.2155","0.0015","13.38","0.002","25.206","0.004","75.983","0.002","81.838","0.002","61.811","0.001","3809.4","0.9","110","2","110","2","","","","","","","","7","P -1","-P 1","2","2014-05-12","","","- H148 Li12 Na8 Ni2 O186 P4 W30 -","- Li8 Na5.9998 Ni2 O169 P4 W30.0062 -","- Li8 Na5.9998 Ni2 O169 P4 W30.0062 -","1","0.5","","Guo, Weiwei; Lv, Hongjin; Bacsa, John; Gao, Yuanzhe; Lee, Je Seong; Hill, Craig L.","Syntheses, Structural Characterization, and Catalytic Properties of Di- and Trinickel Polyoxometalates.","Inorganic chemistry","2016","55","2","461","466","10.1021/acs.inorgchem.5b01935","","","0.71073","MoKα","","0.0775","0.0509","","","0.1148","0.1273","","","","","","1.056","","","","has coordinates,has disorder","175780","2020-10-21","18:00:00",""
"4344380","24.364","0.005","24.299","0.005","28.863","0.006","90","","90","","90","","17087","6","110","2","110","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- H101 Li5 Na5 Ni3 O111 P2 W16 -","- H9 Ni3 O65 P2 W16 -","- H72 Ni24 O520 P16 W128 -","8","1","","Guo, Weiwei; Lv, Hongjin; Bacsa, John; Gao, Yuanzhe; Lee, Je Seong; Hill, Craig L.","Syntheses, Structural Characterization, and Catalytic Properties of Di- and Trinickel Polyoxometalates.","Inorganic chemistry","2016","55","2","461","466","10.1021/acs.inorgchem.5b01935","","","0.71073","MoKα","","0.0705","0.0547","","","0.1678","0.1793","","","","","","1.14","","","","has coordinates,has disorder","175780","2020-10-21","18:00:00",""
"4344531","28.2062","0.001","31.0697","0.0011","40.1622","0.0014","90","","90","","90","","35196","2","296","2","296.15","","","","","","","","","7","P n m a","-P 2ac 2n","62","","","","- C29 H132 Ce11 N7 O222 P6 W48 -","- C29 H82 Ce11 N7 O222 P6 W48 -","- C116 H328 Ce44 N28 O888 P24 W192 -","4","0.5","","Ma, Pengtao; Wan, Rong; Wang, Yueyan; Hu, Feng; Zhang, Dongdi; Niu, Jingyang; Wang, Jingping","Coordination-Driven Self-Assembly of a 2D Graphite-Like Framework Constructed from High-Nuclear Ce10 Cluster Encapsulated Polyoxotungstates.","Inorganic chemistry","2016","55","2","918","924","10.1021/acs.inorgchem.5b02473","","","0.71073","MoKα","","0.1111","0.0586","","","0.1338","0.167","","","","","","1.084","","","","has coordinates","175479","2020-10-21","18:00:00",""
"4344532","16.141","0.003","10.667","0.002","17.303","0.008","90","","120.17","0.02","90","","2575.6","1.5","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H18 N12 O6 Zn -","- C22 H18 N12 O6 Zn -","- C88 H72 N48 O24 Zn4 -","4","1","","Xie, Yi-Xin; Zhao, Wen-Na; Li, Guo-Chang; Liu, Peng-Fei; Han, Lei","A Naphthalenediimide-Based Metal-Organic Framework and Thin Film Exhibiting Photochromic and Electrochromic Properties.","Inorganic chemistry","2016","55","2","549","551","10.1021/acs.inorgchem.5b02480","","","0.71073","MoKα","","0.2093","0.08","","","0.1379","0.1937","","","","","","1.015","","","","has coordinates","175480","2020-10-21","18:00:00",""
"4344533","8.8735","0.0011","23.381","0.003","8.9575","0.0011","90","","104.464","0.003","90","","1799.5","0.4","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C28 H44 Cl2 Co N4 O15 -","- C28 H44 Cl2 Co N4 O15 -","- C56 H88 Cl4 Co2 N8 O30 -","2","1","","Gregoliński, Janusz; Hikita, Masahiro; Sakamoto, Tatsuya; Sugimoto, Hideki; Tsukube, Hiroshi; Miyake, Hiroyuki","Redox-Triggered Helicity Inversion in Chiral Cobalt Complexes in Combination with H(+) and NO3(-) Stimuli.","Inorganic chemistry","2016","55","2","633","643","10.1021/acs.inorgchem.5b01902","","","0.7107","MoKα","","0.0533","0.0518","","","0.1411","0.1435","","","","","","1.129","","","","has coordinates","175481","2020-10-21","18:00:00",""
"4344534","8.2508","0.0013","23.122","0.003","8.8694","0.0015","90","","98.264","0.004","90","","1674.5","0.4","100","2","100","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C24 H40 Cl2 Co N4 O13 S2 -","- C24 H40 Cl2 Co N4 O13 S2 -","- C48 H80 Cl4 Co2 N8 O26 S4 -","2","1","","Gregoliński, Janusz; Hikita, Masahiro; Sakamoto, Tatsuya; Sugimoto, Hideki; Tsukube, Hiroshi; Miyake, Hiroyuki","Redox-Triggered Helicity Inversion in Chiral Cobalt Complexes in Combination with H(+) and NO3(-) Stimuli.","Inorganic chemistry","2016","55","2","633","643","10.1021/acs.inorgchem.5b01902","","","0.7107","MoKα","","0.0385","0.0367","","","0.0866","0.0875","","","","","","1.043","","","","has coordinates,has disorder","175481","2020-10-21","18:00:00",""
"4344535","9.3116","0.0013","14.853","0.0019","12.8247","0.0019","90","","106.387","0.003","90","","1701.7","0.4","100","2","100","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C30 H44 Co F3 N4 O10 S -","- C30 H44 Co F3 N4 O10 S -","- C60 H88 Co2 F6 N8 O20 S2 -","2","1","","Gregoliński, Janusz; Hikita, Masahiro; Sakamoto, Tatsuya; Sugimoto, Hideki; Tsukube, Hiroshi; Miyake, Hiroyuki","Redox-Triggered Helicity Inversion in Chiral Cobalt Complexes in Combination with H(+) and NO3(-) Stimuli.","Inorganic chemistry","2016","55","2","633","643","10.1021/acs.inorgchem.5b01902","","","0.7107","MoKα","","0.0326","0.0311","","","0.071","0.0716","","","","","","1.053","","","","has coordinates","175481","2020-10-21","18:00:00",""
"4344536","11.017","0.004","15.164","0.006","21.072","0.009","90","","90","","90","","3520","2","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C32 H52 Cl Co N5 O8 -","- C32 H52 Cl Co N5 O8 -","- C128 H208 Cl4 Co4 N20 O32 -","4","1","","Gregoliński, Janusz; Hikita, Masahiro; Sakamoto, Tatsuya; Sugimoto, Hideki; Tsukube, Hiroshi; Miyake, Hiroyuki","Redox-Triggered Helicity Inversion in Chiral Cobalt Complexes in Combination with H(+) and NO3(-) Stimuli.","Inorganic chemistry","2016","55","2","633","643","10.1021/acs.inorgchem.5b01902","","","0.7107","MoKα","","0.0311","0.0299","","","0.0645","0.065","","","","","","1.112","","","","has coordinates,has disorder","175481","2020-10-21","18:00:00",""
"4344537","9.101","0.003","15.041","0.005","11.112","0.004","90","","98.132","0.004","90","","1505.8","0.9","100","2","100","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C27 H38 Co F3 N4 O8 S -","- C27 H38 Co F3 N4 O8 S -","- C54 H76 Co2 F6 N8 O16 S2 -","2","1","","Gregoliński, Janusz; Hikita, Masahiro; Sakamoto, Tatsuya; Sugimoto, Hideki; Tsukube, Hiroshi; Miyake, Hiroyuki","Redox-Triggered Helicity Inversion in Chiral Cobalt Complexes in Combination with H(+) and NO3(-) Stimuli.","Inorganic chemistry","2016","55","2","633","643","10.1021/acs.inorgchem.5b01902","","","0.7107","MoKα","","0.0404","0.0392","","","0.0942","0.0952","","","","","","1.057","","","","has coordinates,has disorder","175481","2020-10-21","18:00:00",""
"4344538","9.1076","0.0019","14.906","0.003","10.516","0.002","90","","102.084","0.006","90","","1396","0.5","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C25 H36 Cl Co N4 O9 -","- C25 H36 Cl Co N4 O9 -","- C50 H72 Cl2 Co2 N8 O18 -","2","1","","Gregoliński, Janusz; Hikita, Masahiro; Sakamoto, Tatsuya; Sugimoto, Hideki; Tsukube, Hiroshi; Miyake, Hiroyuki","Redox-Triggered Helicity Inversion in Chiral Cobalt Complexes in Combination with H(+) and NO3(-) Stimuli.","Inorganic chemistry","2016","55","2","633","643","10.1021/acs.inorgchem.5b01902","","","0.7107","MoKα","","0.0421","0.0403","","","0.101","0.1023","","","","","","1.102","","","","has coordinates,has disorder","175481","2020-10-21","18:00:00",""
"4344539","14.1722","0.0011","14.4565","0.0011","15.2586","0.0013","90","","90","","90","","3126.2","0.4","100","2","100","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C25 H33 Cl4 Co N4 O6 S2 -","- C25 H33 Cl4 Co N4 O6 S2 -","- C100 H132 Cl16 Co4 N16 O24 S8 -","4","1","","Gregoliński, Janusz; Hikita, Masahiro; Sakamoto, Tatsuya; Sugimoto, Hideki; Tsukube, Hiroshi; Miyake, Hiroyuki","Redox-Triggered Helicity Inversion in Chiral Cobalt Complexes in Combination with H(+) and NO3(-) Stimuli.","Inorganic chemistry","2016","55","2","633","643","10.1021/acs.inorgchem.5b01902","","","0.7107","MoKα","","0.0397","0.0371","","","0.0942","0.0952","","","","","","1.246","","","","has coordinates","175481","2020-10-21","18:00:00",""
"4344540","11.4522","0.0014","13.7925","0.0018","17.581","0.002","90","","90","","90","","2777","0.6","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C28 H32 Cl Co N6 O7 -","- C28 H32 Cl Co N6 O7 -","- C112 H128 Cl4 Co4 N24 O28 -","4","1","","Gregoliński, Janusz; Hikita, Masahiro; Sakamoto, Tatsuya; Sugimoto, Hideki; Tsukube, Hiroshi; Miyake, Hiroyuki","Redox-Triggered Helicity Inversion in Chiral Cobalt Complexes in Combination with H(+) and NO3(-) Stimuli.","Inorganic chemistry","2016","55","2","633","643","10.1021/acs.inorgchem.5b01902","","","0.7107","MoKα","","0.046","0.0397","","","0.08","0.0817","","","","","","1.064","","","","has coordinates","175481","2020-10-21","18:00:00",""
"4344541","21.7674","0.0009","8.3961","0.0004","20.4083","0.0009","90","","90","","90","","3729.8","0.3","120","","120","","","","","","","","","4","P b c n","-P 2n 2ab","60","H4L_2MeCN","","","- C44 H34 N6 O6 -","- C44 H34 N6 O6 -","- C176 H136 N24 O24 -","4","0.5","","Akine, Shigehisa; Utsuno, Fumihiko; Piao, Shunjin; Orita, Hideo; Tsuzuki, Seiji; Nabeshima, Tatsuya","Synthesis, Ion Recognition Ability, and Metal-Assisted Aggregation Behavior of Dinuclear Metallohosts Having a Bis(Saloph) Macrocyclic Ligand.","Inorganic chemistry","2016","55","2","810","821","10.1021/acs.inorgchem.5b02288","","","0.71069","MoKα","","0.0547","0.0488","","","0.1376","0.1425","","","","","","1.064","","","","has coordinates,has disorder","175482","2020-10-21","18:00:00",""
"4344542","11.2439","0.0008","11.7378","0.0008","11.7488","0.0009","63.321","0.0018","66.059","0.002","60.3036","0.0016","1169.47","0.15","120","","120","","","","","","","","","6","P -1","-P 1","2","[LNi2]_4DMSO","","","- C48 H48 N4 Ni2 O10 S4 -","- C48 H48 N4 Ni2 O10 S4 -","- C48 H48 N4 Ni2 O10 S4 -","1","0.5","","Akine, Shigehisa; Utsuno, Fumihiko; Piao, Shunjin; Orita, Hideo; Tsuzuki, Seiji; Nabeshima, Tatsuya","Synthesis, Ion Recognition Ability, and Metal-Assisted Aggregation Behavior of Dinuclear Metallohosts Having a Bis(Saloph) Macrocyclic Ligand.","Inorganic chemistry","2016","55","2","810","821","10.1021/acs.inorgchem.5b02288","","","0.71069","MoKα","","0.0546","0.0475","","","0.1269","0.1345","","","","","","1.08","","","","has coordinates","175483","2020-10-21","18:00:00",""
"4344543","10.7324","0.0006","15.3932","0.0007","11.6479","0.0007","90","","96.9893","0.0017","90","","1910","0.18","120","2","120","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","[LPd2]_2DMSO","","","- C44 H36 N4 O8 Pd2 S2 -","- C44 H36 N4 O8 Pd2 S2 -","- C88 H72 N8 O16 Pd4 S4 -","2","0.5","","Akine, Shigehisa; Utsuno, Fumihiko; Piao, Shunjin; Orita, Hideo; Tsuzuki, Seiji; Nabeshima, Tatsuya","Synthesis, Ion Recognition Ability, and Metal-Assisted Aggregation Behavior of Dinuclear Metallohosts Having a Bis(Saloph) Macrocyclic Ligand.","Inorganic chemistry","2016","55","2","810","821","10.1021/acs.inorgchem.5b02288","","","0.71069","MoKα","","0.0583","0.0426","","","0.0936","0.1031","","","","","","1.034","","","","has coordinates","175484","2020-10-21","18:00:00",""
"4344544","15.2681","0.0011","23.2426","0.0015","17.6927","0.0012","90","","90.2117","0.0012","90","","6278.6","0.7","213","2","213","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C33.38 H29.75 Cl0.75 N5 O Pt -","- C33.375 H29.75 Cl0.75 N5 O Pt -","- C267 H238 Cl6 N40 O8 Pt8 -","8","2","","Kabir, Evanta; Wu, Chia-Hua; Wu, Judy I-Chia; Teets, Thomas S.","Heteroleptic Complexes of Cyclometalated Platinum with Triarylformazanate Ligands.","Inorganic chemistry","2016","55","2","956","963","10.1021/acs.inorgchem.5b02595","","","0.71073","MoKα","","0.0466","0.0353","","","0.093","0.101","","","","","","1.095","","","","has coordinates,has disorder","175485","2020-10-21","18:00:00",""
"4344545","16.384","0.004","11.205","0.003","17.922","0.004","90","","105.605","0.003","90","","3168.9","1.3","123","2","123","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C34 H31 Cl2 N5 O3 Pt -","- C34 H31 Cl2 N5 O3 Pt -","- C136 H124 Cl8 N20 O12 Pt4 -","4","1","","Kabir, Evanta; Wu, Chia-Hua; Wu, Judy I-Chia; Teets, Thomas S.","Heteroleptic Complexes of Cyclometalated Platinum with Triarylformazanate Ligands.","Inorganic chemistry","2016","55","2","956","963","10.1021/acs.inorgchem.5b02595","","","0.71073","MoKα","","0.0413","0.0323","","","0.0871","0.097","","","","","","1.096","","","","has coordinates","175485","2020-10-21","18:00:00",""
"4344546","11.104","0.003","11.535","0.003","13.956","0.004","95.274","0.003","100.098","0.003","113.62","0.003","1586.2","0.8","123","2","123","2","","","","","","","","6","P -1","-P 1","2","","","","- C33 H27 F2 N5 O Pt -","- C33 H27 F2 N5 O Pt -","- C66 H54 F4 N10 O2 Pt2 -","2","1","","Kabir, Evanta; Wu, Chia-Hua; Wu, Judy I-Chia; Teets, Thomas S.","Heteroleptic Complexes of Cyclometalated Platinum with Triarylformazanate Ligands.","Inorganic chemistry","2016","55","2","956","963","10.1021/acs.inorgchem.5b02595","","","0.71073","MoKα","","0.0243","0.0226","","","0.0567","0.0572","","","","","","1.039","","","","has coordinates","175485","2020-10-21","18:00:00",""
"4344547","11.176","0.002","11.627","0.002","13.726","0.003","93.431","0.003","97.116","0.003","107.884","0.003","1675.3","0.6","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C37 H48 Co N2 O2 -","- C37 H48 Co N2 O2 -","- C74 H96 Co2 N4 O4 -","2","1","","Clarke, Ryan M.; Hazin, Khatera; Thompson, John R.; Savard, Didier; Prosser, Kathleen E.; Storr, Tim","Electronic Structure Description of a Doubly Oxidized Bimetallic Cobalt Complex with Proradical Ligands.","Inorganic chemistry","2016","55","2","762","774","10.1021/acs.inorgchem.5b02231","","","0.7749","","","0.0589","0.0379","","","0.0984","0.1201","","","","","","1.109","","","","has coordinates","175486","2020-10-21","18:00:00",""
"4344548","16.0869","0.0013","19.859","0.002","25.845","0.003","97.903","0.004","106.447","0.003","103.449","0.003","7516.5","1.3","103","2","103","2","","","","","","","","5","P -1","-P 1","2","","","","- C68 H90 Co2 N4 O4 -","- C68 H90 Co2 N4 O4 -","- C272 H360 Co8 N16 O16 -","4","2","","Clarke, Ryan M.; Hazin, Khatera; Thompson, John R.; Savard, Didier; Prosser, Kathleen E.; Storr, Tim","Electronic Structure Description of a Doubly Oxidized Bimetallic Cobalt Complex with Proradical Ligands.","Inorganic chemistry","2016","55","2","762","774","10.1021/acs.inorgchem.5b02231","","","0.71073","MoKα","","0.1811","0.079","","","0.1629","0.2055","","","","","","0.959","","","","has coordinates,has disorder","175486","2020-10-21","18:00:00",""
"4344549","14.5959","0.0009","9.1176","0.0007","32.637","0.002","90","","94.132","0.004","90","","4332","0.5","293","","293","","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C38 H52 Cl2 Co F6 N2 O3 Sb -","- C38 H52 Cl2 Co F6 N2 O3 Sb -","- C152 H208 Cl8 Co4 F24 N8 O12 Sb4 -","4","1","","Clarke, Ryan M.; Hazin, Khatera; Thompson, John R.; Savard, Didier; Prosser, Kathleen E.; Storr, Tim","Electronic Structure Description of a Doubly Oxidized Bimetallic Cobalt Complex with Proradical Ligands.","Inorganic chemistry","2016","55","2","762","774","10.1021/acs.inorgchem.5b02231","","","1.5418","CuKα","","0.075","0.0529","","0.1116","0.0612","0.0569","","","","","","1.1071","","","","has coordinates,has disorder","175486","2020-10-21","18:00:00",""
"4344550","9.975","0.005","10.495","0.005","13.5","0.005","85.497","0.005","75.295","0.005","85.161","0.005","1359.7","1.1","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H24 Ni O2 S4 -","- C30 H24 Ni O2 S4 -","- C60 H48 Ni2 O4 S8 -","2","1","","Zarkadoulas, Athanasios; Field, Martin J.; Papatriantafyllopoulou, Constantina; Fize, Jennifer; Artero, Vincent; Mitsopoulou, Christiana A.","Experimental and Theoretical Insight into Electrocatalytic Hydrogen Evolution with Nickel Bis(aryldithiolene) Complexes as Catalysts.","Inorganic chemistry","2016","55","2","432","444","10.1021/acs.inorgchem.5b02000","","","0.71073","MoKα","","0.088","0.07","","","0.1921","0.2014","","","","","","1.115","","","","has coordinates","175487","2020-10-21","18:00:00",""
"4344551","9.686","0.0004","15.9951","0.0011","16.9499","0.0009","106.901","0.005","93.89","0.004","107.188","0.005","2366.2","0.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C48 H64 N Ni O4 S4 -","- C48 H64 N Ni O4 S4 -","- C96 H128 N2 Ni2 O8 S8 -","2","1","","Zarkadoulas, Athanasios; Field, Martin J.; Papatriantafyllopoulou, Constantina; Fize, Jennifer; Artero, Vincent; Mitsopoulou, Christiana A.","Experimental and Theoretical Insight into Electrocatalytic Hydrogen Evolution with Nickel Bis(aryldithiolene) Complexes as Catalysts.","Inorganic chemistry","2016","55","2","432","444","10.1021/acs.inorgchem.5b02000","","","1.54184","CuKα","","0.0558","0.0448","","","0.119","0.1268","","","","","","1.016","","","","has coordinates","175488","2020-10-21","18:00:00",""
"4344552","15.7758","0.0007","25.1815","0.0011","17.9046","0.0011","90","","91.222","0.001","90","","7111.1","0.6","293","2","293","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C12 H26 Cu K0 Na2 O33 Sb6 -","- C12 H26 Cu Na2 O33 Sb6 -","- C96 H208 Cu8 Na16 O264 Sb48 -","8","1","","Meng, Wei; Xu, Feng; Xu, Weijian","An Anionic Heptacopper(II) Oxo-Cluster {Cu(II)7} with an S = 7/2 Ground State.","Inorganic chemistry","2016","55","2","540","542","10.1021/acs.inorgchem.5b02206","","","0.71073","MoKα","","0.0583","0.0371","","","0.0811","0.0896","","","","","","1.039","","","","has coordinates","175489","2020-10-21","18:00:00",""
"4344553","10.0056","0.0013","14.1395","0.0018","14.2438","0.0018","63.458","0.002","84.991","0.002","85.22","0.002","1793.6","0.4","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C24 H62 Cu7 Na6 O68 Sb6 -","- C24 H56 Cu7 Na6 O68 Sb6 -","- C24 H56 Cu7 Na6 O68 Sb6 -","1","0.5","","Meng, Wei; Xu, Feng; Xu, Weijian","An Anionic Heptacopper(II) Oxo-Cluster {Cu(II)7} with an S = 7/2 Ground State.","Inorganic chemistry","2016","55","2","540","542","10.1021/acs.inorgchem.5b02206","","","0.71073","MoKα","","0.0489","0.0411","","","0.1223","0.1294","","","","","","1.064","","","","has coordinates,has disorder","175490","2020-10-21","18:00:00",""
"4344554","7.1421","0.0005","5.5677","0.0004","9.7964","0.0007","90","","90","","90","","389.55","0.05","150","","150","","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- N O3 P Sr2 -","- N O3 P Sr2 -","- N4 O12 P4 Sr8 -","4","0.5","","Marchuk, Alexey; Schultz, Peter; Hoch, Constantin; Oeckler, Oliver; Schnick, Wolfgang","M2PO3N (M = Ca, Sr): ortho-Oxonitridophosphates with β-K2SO4 Structure Type.","Inorganic chemistry","2016","55","2","974","982","10.1021/acs.inorgchem.5b02647","","","0.71073","MoKα","","0.0227","0.0209","","","0.051","0.052","","","","","","1.181","","","","has coordinates","175491","2020-10-21","18:00:00",""
"4344555","6.7954","0.0003","5.4395","0.0003","9.4167","0.0005","90","","90","","90","","348.07","0.03","293","2","293","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- Ca2 N O3 P -","- Ca2 N O3 P -","- Ca8 N4 O12 P4 -","4","0.5","","Marchuk, Alexey; Schultz, Peter; Hoch, Constantin; Oeckler, Oliver; Schnick, Wolfgang","M2PO3N (M = Ca, Sr): ortho-Oxonitridophosphates with β-K2SO4 Structure Type.","Inorganic chemistry","2016","55","2","974","982","10.1021/acs.inorgchem.5b02647","","","0.71073","MoKα","","0.0268","0.0248","","","0.061","0.0618","","","","","","1.112","","","","has coordinates","175492","2020-10-21","18:00:00",""
"4344556","7.1519","0.0005","5.5778","0.0003","9.8132","0.0007","90","","90","","90","","391.47","0.04","300","","300","","","","","","","","","4","P n m a","-P 2ac 2n","62","","Strontium oxonitridophosphate","","- N O3 P Sr2 -","- N O3 P Sr2 -","- N4 O12 P4 Sr8 -","4","0.5","","Marchuk, Alexey; Schultz, Peter; Hoch, Constantin; Oeckler, Oliver; Schnick, Wolfgang","M2PO3N (M = Ca, Sr): ortho-Oxonitridophosphates with β-K2SO4 Structure Type.","Inorganic chemistry","2016","55","2","974","982","10.1021/acs.inorgchem.5b02647","","","0.71073","MoKα","","0.0226","0.0203","","","0.0468","0.0476","","","","","","1.18","","","","has coordinates","175493","2020-10-21","18:00:00",""
"4344557","7.1433","0.0005","5.5711","0.0003","9.8","0.0007","90","","90","","90","","390","0.04","200","","200","","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- N O3 P Sr2 -","- N O3 P Sr2 -","- N4 O12 P4 Sr8 -","4","0.5","","Marchuk, Alexey; Schultz, Peter; Hoch, Constantin; Oeckler, Oliver; Schnick, Wolfgang","M2PO3N (M = Ca, Sr): ortho-Oxonitridophosphates with β-K2SO4 Structure Type.","Inorganic chemistry","2016","55","2","974","982","10.1021/acs.inorgchem.5b02647","","","0.71073","MoKα","","0.0262","0.024","","","0.0606","0.0614","","","","","","1.084","","","","has coordinates","175494","2020-10-21","18:00:00",""
"4344558","7.1482","0.0005","5.5745","0.0003","9.8061","0.0006","90","","90","","90","","390.75","0.04","250","","250","","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- N O3 P Sr2 -","- N O3 P Sr2 -","- N4 O12 P4 Sr8 -","4","0.5","","Marchuk, Alexey; Schultz, Peter; Hoch, Constantin; Oeckler, Oliver; Schnick, Wolfgang","M2PO3N (M = Ca, Sr): ortho-Oxonitridophosphates with β-K2SO4 Structure Type.","Inorganic chemistry","2016","55","2","974","982","10.1021/acs.inorgchem.5b02647","","","0.71073","MoKα","","0.0221","0.0196","","","0.0437","0.0442","","","","","","1.191","","","","has coordinates","175495","2020-10-21","18:00:00",""
"4344559","7.1397","0.0005","5.5649","0.0004","9.7903","0.0007","90","","90","","90","","388.99","0.05","100","","100","","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- N O3 P Sr2 -","- N O3 P Sr2 -","- N4 O12 P4 Sr8 -","4","0.5","","Marchuk, Alexey; Schultz, Peter; Hoch, Constantin; Oeckler, Oliver; Schnick, Wolfgang","M2PO3N (M = Ca, Sr): ortho-Oxonitridophosphates with β-K2SO4 Structure Type.","Inorganic chemistry","2016","55","2","974","982","10.1021/acs.inorgchem.5b02647","","","0.71073","MoKα","","0.0256","0.0234","","","0.0561","0.0571","","","","","","1.114","","","","has coordinates","175496","2020-10-21","18:00:00",""
"4344560","9.9168","0.0015","13.5332","0.0018","9.4442","0.0011","90","","104.138","0.012","90","","1229.1","0.3","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H38 N6 O4 S2 -","- C18 H38 N6 O4 S2 -","- C36 H76 N12 O8 S4 -","2","0.5","","Rodríguez-Rodríguez, Aurora; Halime, Zakaria; Lima, Luís M P; Beyler, Maryline; Deniaud, David; Le Poul, Nicolas; Delgado, Rita; Platas-Iglesias, Carlos; Patinec, Véronique; Tripier, Raphaël","Cyclams with Ambidentate Methylthiazolyl Pendants for Stable, Inert, and Selective Cu(II) Coordination.","Inorganic chemistry","2016","55","2","619","632","10.1021/acs.inorgchem.5b01779","","x-ray","0.71073","MoKα","","0.2099","0.072","","","0.1112","0.1632","","","","","","0.887","","","","has coordinates","288505","2023-12-22","15:12:02",""
"4344561","7.4313","0.0003","40.4442","0.0017","8.3466","0.0004","90","","100.242","0.004","90","","2468.62","0.19","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C14 H37 Cl4 N5 O3 S -","- C14 H37 Cl4 N5 O3 S -","- C56 H148 Cl16 N20 O12 S4 -","4","1","","Rodríguez-Rodríguez, Aurora; Halime, Zakaria; Lima, Luís M P; Beyler, Maryline; Deniaud, David; Le Poul, Nicolas; Delgado, Rita; Platas-Iglesias, Carlos; Patinec, Véronique; Tripier, Raphaël","Cyclams with Ambidentate Methylthiazolyl Pendants for Stable, Inert, and Selective Cu(II) Coordination.","Inorganic chemistry","2016","55","2","619","632","10.1021/acs.inorgchem.5b01779","","x-ray","0.71073","MoKα","","0.0771","0.0573","","","0.1232","0.1345","","","","","","1.055","","","","has coordinates,has disorder","288505","2023-12-22","15:12:02",""
"4344562","9.7814","0.0002","16.8871","0.0004","16.9644","0.0004","75.406","0.002","79.394","0.002","89.335","0.002","2663.65","0.11","170","2","170","2","","","","","","","","7","P -1","-P 1","2","","","","- C18 H32 Cl2 N6 O9 S2 Zn -","- C18 H32 Cl2 N6 O9 S2 Zn -","- C72 H128 Cl8 N24 O36 S8 Zn4 -","4","2","","Rodríguez-Rodríguez, Aurora; Halime, Zakaria; Lima, Luís M P; Beyler, Maryline; Deniaud, David; Le Poul, Nicolas; Delgado, Rita; Platas-Iglesias, Carlos; Patinec, Véronique; Tripier, Raphaël","Cyclams with Ambidentate Methylthiazolyl Pendants for Stable, Inert, and Selective Cu(II) Coordination.","Inorganic chemistry","2016","55","2","619","632","10.1021/acs.inorgchem.5b01779","","x-ray","0.71073","MoKα","","0.0685","0.046","","","0.1066","0.1219","","","","","","1.05","","","","has coordinates","288505","2023-12-22","15:12:02",""
"4344563","27.764","0.005","12.9391","0.0018","14.198","0.002","90","","115.07","0.02","90","","4620","1.4","298","2","298","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C14 H27 Cl2 Cu N5 O8 S -","- C14 H27 Cl2 Cu N5 O8 S -","- C112 H216 Cl16 Cu8 N40 O64 S8 -","8","1","","Rodríguez-Rodríguez, Aurora; Halime, Zakaria; Lima, Luís M P; Beyler, Maryline; Deniaud, David; Le Poul, Nicolas; Delgado, Rita; Platas-Iglesias, Carlos; Patinec, Véronique; Tripier, Raphaël","Cyclams with Ambidentate Methylthiazolyl Pendants for Stable, Inert, and Selective Cu(II) Coordination.","Inorganic chemistry","2016","55","2","619","632","10.1021/acs.inorgchem.5b01779","","x-ray","0.71073","MoKα","","0.2155","0.0764","","","0.1455","0.1841","","","","","","0.845","","","","has coordinates,has disorder","288505","2023-12-22","15:12:02",""
"4344564","9.5052","0.0003","14.0494","0.0005","10.2388","0.0004","90","","109.904","0.004","90","","1285.64","0.09","170","2","170","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C18 H30 Cl2 Cu N6 O8 S2 -","- C18 H30 Cl2 Cu N6 O8 S2 -","- C36 H60 Cl4 Cu2 N12 O16 S4 -","2","0.5","","Rodríguez-Rodríguez, Aurora; Halime, Zakaria; Lima, Luís M P; Beyler, Maryline; Deniaud, David; Le Poul, Nicolas; Delgado, Rita; Platas-Iglesias, Carlos; Patinec, Véronique; Tripier, Raphaël","Cyclams with Ambidentate Methylthiazolyl Pendants for Stable, Inert, and Selective Cu(II) Coordination.","Inorganic chemistry","2016","55","2","619","632","10.1021/acs.inorgchem.5b01779","","x-ray","0.71073","MoKα","","0.039","0.0289","","","0.0707","0.0729","","","","","","1.019","","","","has coordinates","175497","2020-10-21","18:00:00",""
"4344565","12.435","0.0006","23.778","0.0013","14.7265","0.0008","90","","104.597","0.002","90","","4213.8","0.4","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C49 H43 O8 Tb -","- C49 H43 O8 Tb -","- C196 H172 O32 Tb4 -","4","1","","Armelao, Lidia; Belli Dell'Amico, Daniela; Bellucci, Luca; Bottaro, Gregorio; Labella, Luca; Marchetti, Fabio; Samaritani, Simona","Smart Grafting of Lanthanides onto Silica via N,N-Dialkylcarbamato Complexes.","Inorganic chemistry","2016","55","2","939","947","10.1021/acs.inorgchem.5b02535","","","0.71073","MoKα","","0.056","0.0395","","","0.0968","0.1061","","","","","","1.087","","","","has coordinates","175498","2020-10-21","18:00:00",""
"4344566","11.3586","0.0007","14.8399","0.001","24.1643","0.0016","90","","98.4869","0.001","90","","4028.5","0.5","90","","90","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C36 H60 Cl2 Co N8 O6 -","- C36 H60 Cl2 Co N8 O6 -","- C144 H240 Cl8 Co4 N32 O24 -","4","0.5","","Tsitovich, Pavel B.; Cox, Jordan M.; Benedict, Jason B.; Morrow, Janet R.","Six-coordinate Iron(II) and Cobalt(II) paraSHIFT Agents for Measuring Temperature by Magnetic Resonance Spectroscopy.","Inorganic chemistry","2016","55","2","700","716","10.1021/acs.inorgchem.5b02144","","x-ray","0.71073","MoKα","","0.0325","0.0298","","","0.0792","0.0811","","","","","","1.074","","","","has coordinates","175499","2020-10-21","18:00:00",""
"4344567","9.462","0.003","15.031","0.004","16.177","0.004","106.157","0.006","102.73","0.007","91.141","0.007","2147.4","1","90","","90","","","","","","","","","7","P -1","-P 1","2","","","","- C38 H48 F6 Fe N8 O6 S2 -","- C38 H48 F6 Fe N8 O6 S2 -","- C76 H96 F12 Fe2 N16 O12 S4 -","2","1","","Tsitovich, Pavel B.; Cox, Jordan M.; Benedict, Jason B.; Morrow, Janet R.","Six-coordinate Iron(II) and Cobalt(II) paraSHIFT Agents for Measuring Temperature by Magnetic Resonance Spectroscopy.","Inorganic chemistry","2016","55","2","700","716","10.1021/acs.inorgchem.5b02144","","x-ray","0.71073","MoKα","","0.1534","0.1035","","","0.2699","0.2903","","","","","","1.095","","","","has coordinates","175500","2020-10-21","18:00:00",""
"4344568","14.0975","0.0017","13.7505","0.0016","37.868","0.004","90","","96.079","0.004","90","","7299.3","1.4","90","","90","","","","","","","","","8","P 1 21 1","P 2yb","4","","","","- C59 H73 F15 Fe2 N12 Na O15.5 S5 -","- C59 H73 F15 Fe2 N12 Na O15.5 S5 -","- C236 H292 F60 Fe8 N48 Na4 O62 S20 -","4","2","","Tsitovich, Pavel B.; Cox, Jordan M.; Benedict, Jason B.; Morrow, Janet R.","Six-coordinate Iron(II) and Cobalt(II) paraSHIFT Agents for Measuring Temperature by Magnetic Resonance Spectroscopy.","Inorganic chemistry","2016","55","2","700","716","10.1021/acs.inorgchem.5b02144","","x-ray","0.71073","MoKα","","0.0662","0.0537","","","0.1358","0.1446","","","","","","1.036","","","","has coordinates","258458","2020-10-21","18:00:00",""
"4344569","18.3433","0.0007","18.0221","0.0007","18.908","0.0007","90","","90","","90","","6250.7","0.4","90","","90","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C27 H36 Co N8 O6 -","- C27 H36 Co N8 O6 -","- C216 H288 Co8 N64 O48 -","8","1","","Tsitovich, Pavel B.; Cox, Jordan M.; Benedict, Jason B.; Morrow, Janet R.","Six-coordinate Iron(II) and Cobalt(II) paraSHIFT Agents for Measuring Temperature by Magnetic Resonance Spectroscopy.","Inorganic chemistry","2016","55","2","700","716","10.1021/acs.inorgchem.5b02144","","x-ray","0.71073","MoKα","","0.0642","0.0463","","","0.1178","0.1251","","","","","","1.088","","","","has coordinates","175502","2020-10-21","18:00:00",""
"4344570","21.314","0.004","15.745","0.003","33.445","0.006","90","","93.48","0.005","90","","11203","4","120","2","120","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C90 H64 Cl4 Co4 N38 O25 -","- C90 H64 Cl4 Co4 N38 O25 -","- C360 H256 Cl16 Co16 N152 O100 -","4","0.5","","Shen, Fuxing; Huang, Wei; Wu, Dayu; Zheng, Zhe; Huang, Xing-Cai; Sato, Osamu","Redox Modulation of Spin Crossover within a Cobalt Metallogrid.","Inorganic chemistry","2016","55","2","902","908","10.1021/acs.inorgchem.5b02442","","","0.71073","MoKα","","0.1765","0.0929","","","0.2548","0.2992","","","","","","1.107","","","","has coordinates","175504","2020-10-21","18:00:00",""
"4344571","15.857","0.003","19.272","0.004","23.286","0.004","87.342","0.005","74.832","0.005","73.034","0.005","6566","2","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","","","- C80 H88 Cl8 Co4 N32 O32 -","- C80 H88 Cl8 Co4 N32 O32 -","- C160 H176 Cl16 Co8 N64 O64 -","2","1","","Shen, Fuxing; Huang, Wei; Wu, Dayu; Zheng, Zhe; Huang, Xing-Cai; Sato, Osamu","Redox Modulation of Spin Crossover within a Cobalt Metallogrid.","Inorganic chemistry","2016","55","2","902","908","10.1021/acs.inorgchem.5b02442","","","0.71073","MoKα","","0.2371","0.1069","","","0.2237","0.254","","","","","","1.051","","","","has coordinates,has disorder","175504","2020-10-21","18:00:00",""
"4344572","21.917","0.005","28.88","0.006","22.603","0.005","90","","95.637","0.006","90","","14238","5","120","2","120","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C85 H86 Br8 Cl8 Co4 N34 O38 -","- C85 H86 Br8 Cl8 Co4 N34 O38 -","- C340 H344 Br32 Cl32 Co16 N136 O152 -","4","0.5","","Shen, Fuxing; Huang, Wei; Wu, Dayu; Zheng, Zhe; Huang, Xing-Cai; Sato, Osamu","Redox Modulation of Spin Crossover within a Cobalt Metallogrid.","Inorganic chemistry","2016","55","2","902","908","10.1021/acs.inorgchem.5b02442","","","0.71073","MoKα","","0.1914","0.1113","","","0.2873","0.3339","","","","","","1.051","","","","has coordinates,has disorder","175504","2020-10-21","18:00:00",""
"4344573","10.9371","0.0008","7.7315","0.0007","11.2524","0.001","90","","96.887","0.006","90","","944.64","0.14","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- B8 K Li O13 -","- B8 K Li O13 -","- B32 K4 Li4 O52 -","4","1","","An, Donghai; Kong, Qingrong; Zhang, Min; Yang, Yun; Li, Danni; Yang, Zhihua; Pan, Shilie; Chen, Huimin; Su, Zhi; Sun, Yi; Mutailipu, Miriding","Versatile Coordination Mode of LiNaB8O13 and α- and β-LiKB8O13 via the Flexible Assembly of Four-Connected B5O10 and B3O7 Groups.","Inorganic chemistry","2016","55","2","552","554","10.1021/acs.inorgchem.5b02500","","","0.71073","MoKα","","0.1062","0.0569","","","0.1295","0.1513","","","","","","1.045","","","","has coordinates","175505","2020-10-21","18:00:00",""
"4344574","19.232","0.01","6.636","0.004","17.307","0.009","90","","113.99","0.005","90","","2018","1.9","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- B8 Li Na O13 -","- B8 Li Na O13 -","- B64 Li8 Na8 O104 -","8","1","","An, Donghai; Kong, Qingrong; Zhang, Min; Yang, Yun; Li, Danni; Yang, Zhihua; Pan, Shilie; Chen, Huimin; Su, Zhi; Sun, Yi; Mutailipu, Miriding","Versatile Coordination Mode of LiNaB8O13 and α- and β-LiKB8O13 via the Flexible Assembly of Four-Connected B5O10 and B3O7 Groups.","Inorganic chemistry","2016","55","2","552","554","10.1021/acs.inorgchem.5b02500","","","0.71073","MoKα","","0.0562","0.0412","","","0.1065","0.1147","","","","","","1.042","","","","has coordinates","175506","2020-10-21","18:00:00",""
"4344575","14.472","0.003","8.4169","0.0019","18.101","0.004","90","","90","","90","","2204.9","0.8","296","2","296","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- B8 K Li O13 -","- B8 K Li O13 -","- B64 K8 Li8 O104 -","8","1","","An, Donghai; Kong, Qingrong; Zhang, Min; Yang, Yun; Li, Danni; Yang, Zhihua; Pan, Shilie; Chen, Huimin; Su, Zhi; Sun, Yi; Mutailipu, Miriding","Versatile Coordination Mode of LiNaB8O13 and α- and β-LiKB8O13 via the Flexible Assembly of Four-Connected B5O10 and B3O7 Groups.","Inorganic chemistry","2016","55","2","552","554","10.1021/acs.inorgchem.5b02500","","","0.71073","MoKα","","0.0413","0.0314","","","0.0801","0.0856","","","","","","1.024","","","","has coordinates","175507","2020-10-21","18:00:00",""
"4344576","14.4212","0.0002","14.6648","0.0003","17.2369","0.0003","65.604","0.002","71.938","0.001","64.448","0.002","2956.31","0.11","120","","120","","","","","","","","","6","P -1","-P 1","2","","","","- C112.42 H178 I8 Mo6 N2 O14 -","- C112.42 H178 I8 Mo6 N2 O14 -","- C112.42 H178 I8 Mo6 N2 O14 -","1","0.5","","Kirakci, Kaplan; Kubát, Pavel; Fejfarová, Karla; Martinčík, Jiří; Nikl, Martin; Lang, Kamil","X-ray Inducible Luminescence and Singlet Oxygen Sensitization by an Octahedral Molybdenum Cluster Compound: A New Class of Nanoscintillators.","Inorganic chemistry","2016","55","2","803","809","10.1021/acs.inorgchem.5b02282","","","0.7107","MoKα","","0.0576","0.0388","","","0.1024","0.1105","","","","1.66","1.66","1.54","","","","has coordinates","175508","2020-10-21","18:00:00",""
"4344577","8.042","0.0002","15.1061","0.0004","4.4867","0.0001","90","","90","","90","","545.06","0.02","130","2","130","2","","","","","","","","3","P b a m","-P 2 2ab","55","","","","- Ag Ge4 Li12 -","- Ag Ge4 Li12 -","- Ag2 Ge8 Li24 -","2","0.25","","Henze, Alexander; Fässler, Thomas F","Switching the Structure Type upon Ag Substitution: Synthesis and Crystal as well as Electronic Structures of Li12AgGe4.","Inorganic chemistry","2016","55","2","822","827","10.1021/acs.inorgchem.5b02299","","","0.71073","MoKα","","0.0355","0.0293","","","0.0692","0.0713","","","","","","1.133","","","","has coordinates","175509","2020-10-21","18:00:00",""
"4344578","12.5719","0.0005","18.9447","0.0007","15.7164","0.0006","90","","104.826","0.0018","90","","3618.6","0.2","200","2","200","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C70 H66 F6 Fe2 N8 O6 S6 -","- C70 H66 F6 Fe2 N8 O6 S6 -","- C140 H132 F12 Fe4 N16 O12 S12 -","2","0.5","","Das, Uttam K.; Daifuku, Stephanie L.; Gorelsky, Serge I.; Korobkov, Ilia; Neidig, Michael L.; Le Roy, Jennifer J.; Murugesu, Muralee; Baker, R. Tom","Mononuclear, Dinuclear, and Trinuclear Iron Complexes Featuring a New Monoanionic SNS Thiolate Ligand.","Inorganic chemistry","2016","55","2","987","997","10.1021/acs.inorgchem.5b02833","","","0.71073","MoKα","","0.0611","0.0451","","","0.1171","0.1291","","","","","","1.024","","","","has coordinates","175510","2020-10-21","18:00:00",""
"4344579","10.1391","0.0003","15.2828","0.0004","22.8885","0.0007","94.993","0.002","98.271","0.002","98.65","0.002","3448.38","0.18","200","2","200","2","","","","","","","","8","P -1","-P 1","2","","","","- C59.5 H49.5 Cl4.5 F6 Fe3 N4 O6 S10 -","- C59.5 H49.5 Cl4.5 F6 Fe3 N4 O6 S10 -","- C119 H99 Cl9 F12 Fe6 N8 O12 S20 -","2","1","","Das, Uttam K.; Daifuku, Stephanie L.; Gorelsky, Serge I.; Korobkov, Ilia; Neidig, Michael L.; Le Roy, Jennifer J.; Murugesu, Muralee; Baker, R. Tom","Mononuclear, Dinuclear, and Trinuclear Iron Complexes Featuring a New Monoanionic SNS Thiolate Ligand.","Inorganic chemistry","2016","55","2","987","997","10.1021/acs.inorgchem.5b02833","","","0.71073","MoKα","","0.1373","0.0788","","","0.209","0.2473","","","","","","1.044","","","","has coordinates,has disorder","175511","2020-10-21","18:00:00",""
"4344580","10.6895","0.0005","11.2318","0.0005","11.5933","0.0005","74.39","0.003","85.483","0.003","75.255","0.003","1296.35","0.1","200","2","200","2","","","","","","","","8","P -1","-P 1","2","","","","- C20 H24 F3 Fe N2 O6 P S3 -","- C20 H24 F3 Fe N2 O6 P S3 -","- C40 H48 F6 Fe2 N4 O12 P2 S6 -","2","1","","Das, Uttam K.; Daifuku, Stephanie L.; Gorelsky, Serge I.; Korobkov, Ilia; Neidig, Michael L.; Le Roy, Jennifer J.; Murugesu, Muralee; Baker, R. Tom","Mononuclear, Dinuclear, and Trinuclear Iron Complexes Featuring a New Monoanionic SNS Thiolate Ligand.","Inorganic chemistry","2016","55","2","987","997","10.1021/acs.inorgchem.5b02833","","","0.71073","MoKα","","0.1591","0.0655","","","0.0959","0.1167","","","","","","1.019","","","","has coordinates,has disorder","175512","2020-10-21","18:00:00",""
"4344581","11.49","0.0003","21.1626","0.0005","14.9493","0.0004","90","","90.076","0.001","90","","3635.04","0.16","200","2","200","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C34 H34 F3 Fe N4 O3 P S3 -","- C34 H34 F3 Fe N4 O3 P S3 -","- C136 H136 F12 Fe4 N16 O12 P4 S12 -","4","1","","Das, Uttam K.; Daifuku, Stephanie L.; Gorelsky, Serge I.; Korobkov, Ilia; Neidig, Michael L.; Le Roy, Jennifer J.; Murugesu, Muralee; Baker, R. Tom","Mononuclear, Dinuclear, and Trinuclear Iron Complexes Featuring a New Monoanionic SNS Thiolate Ligand.","Inorganic chemistry","2016","55","2","987","997","10.1021/acs.inorgchem.5b02833","","","0.71073","MoKα","","0.0456","0.0321","","","0.0811","0.0891","","","","","","1.012","","","","has coordinates","175513","2020-10-21","18:00:00",""
"4344582","7.4676","0.0013","12.1779","0.0013","9.3974","0.0017","90","","111.352","0.008","90","","795.9","0.2","293","2","293","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- Cu5 K2 O19 S3 Te -","- Cu5 K2 O19 S3 Te -","- Cu10 K4 O38 S6 Te2 -","2","0.5","","Tang, Yingying; Guo, Wenbin; Xiang, Hongping; Zhang, Suyun; Yang, Ming; Cui, Meiyan; Wang, Nannan; He, Zhangzhen","Synthesis, Structure, and Magnetic Properties of A2Cu5(TeO3)(SO4)3(OH)4 (A = Na, K): The First Compounds with a 1D Kagomé Strip Lattice.","Inorganic chemistry","2016","55","2","644","648","10.1021/acs.inorgchem.5b01889","","","0.71073","MoKα","","0.0432","0.0354","","","0.0793","0.0852","","","","","","1.073","","","","has coordinates","175514","2020-10-21","18:00:00",""
"4344583","7.294","0.003","12.005","0.004","9.214","0.003","90","","111.16","0.006","90","","752.4","0.5","293","2","293","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- Cu5 Na2 O19 S3 Te -","- Cu5 Na2 O19 S3 Te -","- Cu10 Na4 O38 S6 Te2 -","2","0.5","","Tang, Yingying; Guo, Wenbin; Xiang, Hongping; Zhang, Suyun; Yang, Ming; Cui, Meiyan; Wang, Nannan; He, Zhangzhen","Synthesis, Structure, and Magnetic Properties of A2Cu5(TeO3)(SO4)3(OH)4 (A = Na, K): The First Compounds with a 1D Kagomé Strip Lattice.","Inorganic chemistry","2016","55","2","644","648","10.1021/acs.inorgchem.5b01889","","","0.71073","MoKα","","0.0221","0.0204","","","0.0545","0.0555","","","","","","1.093","","","","has coordinates","175515","2020-10-21","18:00:00",""
"4344584","9.2199","0.0006","16.3663","0.0011","23.4311","0.0016","90","","95.314","0.001","90","","3520.5","0.4","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C38 H41 B Ir N4 O P2 -","- C38 H41 B Ir N4 O P2 -","- C152 H164 B4 Ir4 N16 O4 P8 -","4","1","","Serrano, Ángel L; Casado, Miguel A.; Ciriano, Miguel A.; de Bruin, Bas; López, José A; Tejel, Cristina","Nucleophilicity and P-C Bond Formation Reactions of a Terminal Phosphanido Iridium Complex.","Inorganic chemistry","2016","55","2","828","839","10.1021/acs.inorgchem.5b02301","","","0.71073","MoKα","","0.056","0.0326","","","0.0659","0.0749","","","","","","1.021","","","","has coordinates","175516","2020-10-21","18:00:00",""
"4344585","9.2577","0.0006","12.0642","0.0008","12.3424","0.0008","110.704","0.0007","97.3629","0.0007","96.9675","0.0008","1258.04","0.14","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C25.4 H26.4 B Cl Ir N4 O P -","- C25.398 H21.4 B Cl Ir N4 O P -","- C50.796 H42.8 B2 Cl2 Ir2 N8 O2 P2 -","2","1","","Serrano, Ángel L; Casado, Miguel A.; Ciriano, Miguel A.; de Bruin, Bas; López, José A; Tejel, Cristina","Nucleophilicity and P-C Bond Formation Reactions of a Terminal Phosphanido Iridium Complex.","Inorganic chemistry","2016","55","2","828","839","10.1021/acs.inorgchem.5b02301","","","0.71073","MoKα","","0.0339","0.0279","","","0.0565","0.0599","","","","","","1.044","","","","has coordinates,has disorder","175516","2020-10-21","18:00:00",""
"4344586","10.6388","0.0014","12.1439","0.0016","17.158","0.002","83.494","0.002","80.166","0.002","89.682","0.002","2169.9","0.5","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C48 H48 B Ir N4 O5 P2 -","- C48 H48 B Ir N4 O5 P2 -","- C96 H96 B2 Ir2 N8 O10 P4 -","2","1","","Serrano, Ángel L; Casado, Miguel A.; Ciriano, Miguel A.; de Bruin, Bas; López, José A; Tejel, Cristina","Nucleophilicity and P-C Bond Formation Reactions of a Terminal Phosphanido Iridium Complex.","Inorganic chemistry","2016","55","2","828","839","10.1021/acs.inorgchem.5b02301","","","0.71073","MoKα","","0.0474","0.0366","","","0.0785","0.0823","","","","","","1.085","","","","has coordinates","175516","2020-10-21","18:00:00",""
"4344587","16.992","0.003","23.779","0.005","11.228","0.002","90","","96.59","0.03","90","","4506.7","1.5","200","","200","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C50 H61 N5 Ni O2 -","- C50 H61 N5 Ni O2 -","- C200 H244 N20 Ni4 O8 -","4","1","","Ciccione, Jérémie; Leconte, Nicolas; Luneau, Dominique; Philouze, Christian; Thomas, Fabrice","Geometric and Electronic Structures of Nickel(II) Complexes of Redox Noninnocent Tetradentate Phenylenediamine Ligands.","Inorganic chemistry","2016","55","2","649","665","10.1021/acs.inorgchem.5b01947","","x-ray","0.71073","MoKα","","0.0788","0.0404","","","0.0753","0.0893","","","","","","1.065","","","","has coordinates,has disorder","175517","2020-10-21","18:00:00",""
"4344588","14.493","0.003","16.739","0.003","19.864","0.004","90","","102.66","0.03","90","","4701.8","1.7","200","","200","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C48 H58 F6 N4 Ni O2 Sb -","- C48 H58 F6 N4 Ni O2 Sb -","- C192 H232 F24 N16 Ni4 O8 Sb4 -","4","1","","Ciccione, Jérémie; Leconte, Nicolas; Luneau, Dominique; Philouze, Christian; Thomas, Fabrice","Geometric and Electronic Structures of Nickel(II) Complexes of Redox Noninnocent Tetradentate Phenylenediamine Ligands.","Inorganic chemistry","2016","55","2","649","665","10.1021/acs.inorgchem.5b01947","","x-ray","0.71073","MoKα","","0.0914","0.0409","","","0.0746","0.0921","","","","","","1.039","","","","has coordinates,has disorder","175517","2020-10-21","18:00:00",""
"4344589","13.158","0.003","14.791","0.003","15.899","0.003","74.16","0.03","79.57","0.03","82.52","0.03","2916.9","1.2","200","","200","","","","","","","","","8","P -1","-P 1","2","","","","- C51 H64 Cl3 F12 N4 Ni O2 Sb2 -","- C51 H64 Cl3 F12 N4 Ni O2 Sb2 -","- C102 H128 Cl6 F24 N8 Ni2 O4 Sb4 -","2","1","","Ciccione, Jérémie; Leconte, Nicolas; Luneau, Dominique; Philouze, Christian; Thomas, Fabrice","Geometric and Electronic Structures of Nickel(II) Complexes of Redox Noninnocent Tetradentate Phenylenediamine Ligands.","Inorganic chemistry","2016","55","2","649","665","10.1021/acs.inorgchem.5b01947","","x-ray","0.71073","MoKα","","0.0707","0.0384","","","0.0846","0.1064","","","","","","1.129","","","","has coordinates,has disorder","175517","2020-10-21","18:00:00",""
"4344590","5.9786","0.0012","17.991","0.004","31.423","0.006","90","","90","","90","","3379.9","1.2","200","","200","","","","","","","","","4","P b c m","-P 2c 2b","57","","","","- C36 H49 N5 Ni -","- C36 H49 N5 Ni -","- C144 H196 N20 Ni4 -","4","0.5","","Ciccione, Jérémie; Leconte, Nicolas; Luneau, Dominique; Philouze, Christian; Thomas, Fabrice","Geometric and Electronic Structures of Nickel(II) Complexes of Redox Noninnocent Tetradentate Phenylenediamine Ligands.","Inorganic chemistry","2016","55","2","649","665","10.1021/acs.inorgchem.5b01947","","x-ray","0.71073","MoKα","","0.0546","0.0358","","","0.0816","0.0909","","","","","","1.073","","","","has coordinates,has disorder","175517","2020-10-21","18:00:00",""
"4344591","42.949","0.009","16.025","0.003","26.266","0.005","90","","102.82","0.03","90","","17627","6","200","","200","","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C71.67 H103.96 Cl3.67 F12 N8 Ni2 O2.17 Sb2 -","- C71.66 H103.948 Cl3.66 F12 N8 Ni2 O2.17 Sb2 -","- C573.28 H831.584 Cl29.28 F96 N64 Ni16 O17.36 Sb16 -","8","1","","Ciccione, Jérémie; Leconte, Nicolas; Luneau, Dominique; Philouze, Christian; Thomas, Fabrice","Geometric and Electronic Structures of Nickel(II) Complexes of Redox Noninnocent Tetradentate Phenylenediamine Ligands.","Inorganic chemistry","2016","55","2","649","665","10.1021/acs.inorgchem.5b01947","","x-ray","0.71073","MoKα","","0.1308","0.082","","","0.2196","0.2685","","","","","","1.058","","","","has coordinates,has disorder","175517","2020-10-21","18:00:00",""
"4344592","10.241","0.002","20.434","0.004","21.641","0.004","79.57","0.03","84.89","0.03","87.79","0.03","4435","1.5","200","","200","","","","","","","","","7","P -1","-P 1","2","","","","- C35.19 H48.38 Cl2.38 F12 N4 Ni Sb2 -","- C35.19 H48.38 Cl2.375 F12 N4 Ni Sb2 -","- C140.76 H193.52 Cl9.5 F48 N16 Ni4 Sb8 -","4","2","","Ciccione, Jérémie; Leconte, Nicolas; Luneau, Dominique; Philouze, Christian; Thomas, Fabrice","Geometric and Electronic Structures of Nickel(II) Complexes of Redox Noninnocent Tetradentate Phenylenediamine Ligands.","Inorganic chemistry","2016","55","2","649","665","10.1021/acs.inorgchem.5b01947","","x-ray","0.71073","MoKα","","0.1257","0.0547","","","0.1093","0.1358","","","","","","1.021","","","","has coordinates,has disorder","175517","2020-10-21","18:00:00",""
"4344593","32.676","0.007","9.2348","0.0018","26.252","0.005","90","","117.3","0.03","90","","7039","3","200","","200","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C35 H48 Cl2 N4 Ni O -","- C35 H48 Cl2 N4 Ni O -","- C280 H384 Cl16 N32 Ni8 O8 -","8","1","","Ciccione, Jérémie; Leconte, Nicolas; Luneau, Dominique; Philouze, Christian; Thomas, Fabrice","Geometric and Electronic Structures of Nickel(II) Complexes of Redox Noninnocent Tetradentate Phenylenediamine Ligands.","Inorganic chemistry","2016","55","2","649","665","10.1021/acs.inorgchem.5b01947","","x-ray","0.71073","MoKα","","0.0692","0.0385","","","0.0812","0.0919","","","","","","1.039","","","","has coordinates","175517","2020-10-21","18:00:00",""
"4344594","9.4927","0.0019","12.896","0.003","16.95","0.003","80.96","0.03","87.72","0.03","71.86","0.03","1947.3","0.8","200","","200","","","","","","","","","7","P -1","-P 1","2","","","","- C69 H90 Cl6 F12 N8 Ni2 Sb2 -","- C69 H90 Cl6 F12 N8 Ni2 Sb2 -","- C69 H90 Cl6 F12 N8 Ni2 Sb2 -","1","0.5","","Ciccione, Jérémie; Leconte, Nicolas; Luneau, Dominique; Philouze, Christian; Thomas, Fabrice","Geometric and Electronic Structures of Nickel(II) Complexes of Redox Noninnocent Tetradentate Phenylenediamine Ligands.","Inorganic chemistry","2016","55","2","649","665","10.1021/acs.inorgchem.5b01947","","x-ray","0.71073","MoKα","","0.0593","0.0383","","","0.0817","0.0907","","","","","","1.099","","","","has coordinates,has disorder","175517","2020-10-21","18:00:00",""
"4344595","10.321","0.002","14.752","0.003","35.356","0.007","90","","94.83","0.03","90","","5364","1.9","200","","200","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C36.5 H49 Cl7 F12 N4 Ni Sb2 -","- C36.5 H49 Cl7 F12 N4 Ni Sb2 -","- C146 H196 Cl28 F48 N16 Ni4 Sb8 -","4","1","","Ciccione, Jérémie; Leconte, Nicolas; Luneau, Dominique; Philouze, Christian; Thomas, Fabrice","Geometric and Electronic Structures of Nickel(II) Complexes of Redox Noninnocent Tetradentate Phenylenediamine Ligands.","Inorganic chemistry","2016","55","2","649","665","10.1021/acs.inorgchem.5b01947","","x-ray","0.71073","MoKα","","0.0673","0.0588","","","0.1526","0.1569","","","","","","1.17","","","","has coordinates,has disorder","175517","2020-10-21","18:00:00",""
"4344596","5.8291","0.0012","8.9393","0.0018","16.659","0.003","105.38","0.03","90.53","0.03","92.73","0.03","835.8","0.3","200","","200","","","","","","","","","6","P 1","P 1","1","","","","- C35 H48 F2 N4 Ni O -","- C35 H48 F2 N4 Ni O -","- C35 H48 F2 N4 Ni O -","1","1","","Ciccione, Jérémie; Leconte, Nicolas; Luneau, Dominique; Philouze, Christian; Thomas, Fabrice","Geometric and Electronic Structures of Nickel(II) Complexes of Redox Noninnocent Tetradentate Phenylenediamine Ligands.","Inorganic chemistry","2016","55","2","649","665","10.1021/acs.inorgchem.5b01947","","x-ray","0.71073","MoKα","","0.0625","0.0534","","","0.1216","0.1259","","","","","","1.063","","","","has coordinates","175517","2020-10-21","18:00:00",""
"4344597","13.882","0.003","17.661","0.004","13.003","0.003","90","","93.67","0.03","90","","3181.4","1.2","173","2","173.15","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C50 Cl10 O -","- C50 Cl10 O -","- C200 Cl40 O4 -","4","0.5","","Zhang, Zhen-Qiang; Chen, Shu-Fen; Gao, Cong-Li; Zhou, Ting; Shan, Gui-Juan; Tan, Yuan-Zhi; Xie, Su-Yuan; Huang, Rong-Bin; Zheng, Lan-Sun","Regioselective Oxidation of Fused-Pentagon Chlorofullerenes.","Inorganic chemistry","2016","55","2","543","545","10.1021/acs.inorgchem.5b02239","","","0.71073","MoKα","","0.0406","0.0362","","","0.0808","0.0832","","","","","","1.082","","","","has coordinates","175518","2020-10-21","18:00:00",""
"4344598","18.6824","0.0015","13.3999","0.0012","13.9329","0.001","90","","90","","90","","3488","0.5","173","2","173.15","","","","","","","","","3","C m c m","-C 2c 2","63","","","","- C56 Cl10 O -","- C56 Cl10 O -","- C224 Cl40 O4 -","4","0.25","","Zhang, Zhen-Qiang; Chen, Shu-Fen; Gao, Cong-Li; Zhou, Ting; Shan, Gui-Juan; Tan, Yuan-Zhi; Xie, Su-Yuan; Huang, Rong-Bin; Zheng, Lan-Sun","Regioselective Oxidation of Fused-Pentagon Chlorofullerenes.","Inorganic chemistry","2016","55","2","543","545","10.1021/acs.inorgchem.5b02239","","","0.71073","MoKα","","0.0606","0.0584","","","0.1745","0.177","","","","","","1.115","","","","has coordinates","175519","2020-10-21","18:00:00",""
"4344599","36.094","0.008","12.801","0.003","23.336","0.006","90","","127.526","0.01","90","","8551","4","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- Mo12 Na3 O66 P8 U -","- Mo12 Na3 O66 P8 U -","- Mo48 Na12 O264 P32 U4 -","4","0.5","","Deb, Tapash; Zakharov, Lev; Falaise, Clément; Nyman, May","Structure and Solution Speciation of U(IV) Linked Phosphomolybdate (Mo(V)) Clusters.","Inorganic chemistry","2016","55","2","755","761","10.1021/acs.inorgchem.5b02229","","","1.54178","CuKα","","0.14","0.1084","","","0.2788","0.3016","","","","","","1.126","","","","has coordinates,has disorder","289031","2024-01-11","08:36:03",""
"4344600","12.121","0.003","12.655","0.003","13.29","0.003","108.612","0.005","115.266","0.004","93.77","0.005","1697.9","0.7","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- Mo6 Na3 O38 P5 -","- Mo6 Na3 O38 P5 -","- Mo12 Na6 O76 P10 -","2","1","","Deb, Tapash; Zakharov, Lev; Falaise, Clément; Nyman, May","Structure and Solution Speciation of U(IV) Linked Phosphomolybdate (Mo(V)) Clusters.","Inorganic chemistry","2016","55","2","755","761","10.1021/acs.inorgchem.5b02229","","","0.71073","MoKα","","0.1162","0.0659","","","0.1399","0.1673","","","","","","1.023","","","","has coordinates","286259","2023-09-07","06:04:50",""
"4344601","13.622","0.003","29.108","0.006","29.17","0.006","90","","91.74","0.03","90","","11561","4","100","2","100","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C41 H58 B30 Cl4 Ir N3 -","- C41 H58 B30 Cl4 Ir N3 -","- C328 H464 B240 Cl32 Ir8 N24 -","8","2","","Kim, Yejin; Park, Sunghee; Lee, Young Hoon; Jung, Jaehoon; Yoo, Seunghyup; Lee, Min Hyung","Homoleptic Tris-Cyclometalated Iridium Complexes with Substituted o-Carboranes: Green Phosphorescent Emitters for Highly Efficient Solution-Processed Organic Light-Emitting Diodes.","Inorganic chemistry","2016","55","2","909","917","10.1021/acs.inorgchem.5b02444","","","0.62998","synchrotron","","0.0345","0.0303","","","0.0739","0.0764","","","","","","1.024","","","","has coordinates","175523","2020-10-21","18:00:00",""
"4344602","26.0655","0.0005","23.0045","0.0005","13.4263","0.0003","90","","113.347","0.001","90","","7391.5","0.3","296","2","296","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C54 H81 B30 Cl9 Ir N3 -","- C54 H81 B30 Cl9 Ir N3 -","- C216 H324 B120 Cl36 Ir4 N12 -","4","1","","Kim, Yejin; Park, Sunghee; Lee, Young Hoon; Jung, Jaehoon; Yoo, Seunghyup; Lee, Min Hyung","Homoleptic Tris-Cyclometalated Iridium Complexes with Substituted o-Carboranes: Green Phosphorescent Emitters for Highly Efficient Solution-Processed Organic Light-Emitting Diodes.","Inorganic chemistry","2016","55","2","909","917","10.1021/acs.inorgchem.5b02444","","","0.71073","MoKα","","0.0576","0.0432","","","0.0926","0.102","","","","","","1.068","","","","has coordinates","175523","2020-10-21","18:00:00",""
"4344603","36.3946","0.0005","36.3946","0.0005","10.0644","0.0002","90","","90","","120","","11545","0.3","296","2","296","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C22 H28 Mo N2 O S4 -","- C22 H28 Mo N2 O S4 -","- C396 H504 Mo18 N36 O18 S72 -","18","1","","Yang, Jing; Mogesa, Benjamin; Basu, Partha; Kirk, Martin L.","Large Ligand Folding Distortion in an Oxomolybdenum Donor-Acceptor Complex.","Inorganic chemistry","2016","55","2","785","793","10.1021/acs.inorgchem.5b02252","","","0.71073","MoKα","","0.12","0.0824","","","0.1919","0.2332","","","","","","1.425","","","","has coordinates","255805","2020-10-21","18:00:00",""
"4344604","13.445","0.004","13.353","0.004","11.273","0.003","90","","90","","90","","2023.9","1","100","2","100","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C18 H16 Cl6 N W -","- C18 H16 Cl6 N W -","- C72 H64 Cl24 N4 W4 -","4","0.5","","Bortoluzzi, Marco; Marchetti, Fabio; Pampaloni, Guido; Pinzino, Calogero; Zacchini, Stefano","Oxidative Dimerization of Triarylamines Promoted by WCl6, Including the Solid State Isolation and the Crystallographic Characterization of a Triphenylammonium Salt.","Inorganic chemistry","2016","55","2","887","893","10.1021/acs.inorgchem.5b02392","","","0.71073","MoKα","","0.0752","0.0509","","","0.1084","0.1186","","","","","","0.992","","","","has coordinates","175525","2020-10-21","18:00:00",""
"4344605","7.5988","0.0002","16.7478","0.0005","12.8198","0.0004","90","","91.209","0.003","90","","1631.13","0.08","293","2","293","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- Br3 H4 N O16 Pb4 -","- Br3 N O16 Pb4 -","- Br12 N4 O64 Pb16 -","4","1","","Kong, Fang; Hu, Chun-Li; Liang, Ming-Li; Mao, Jiang-Gao","Pb4(OH)4(BrO3)3(NO3): An Example of SHG Crystal in Metal Bromates Containing π-Conjugated Planar Triangle.","Inorganic chemistry","2016","55","2","948","955","10.1021/acs.inorgchem.5b02523","","","0.71073","MoKα","","0.0462","0.0342","","","0.0478","0.0553","","","","","","0.975","","","","has coordinates","175526","2020-10-21","18:00:00",""
"4344606","10.074","0.002","19.262","0.005","32.57","0.008","90","","90","","90","","6320","3","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- Br6 H8 N2 O32 Pb8 -","- Br6 H2 N2 O32 Pb8 -","- Br48 H16 N16 O256 Pb64 -","8","1","","Kong, Fang; Hu, Chun-Li; Liang, Ming-Li; Mao, Jiang-Gao","Pb4(OH)4(BrO3)3(NO3): An Example of SHG Crystal in Metal Bromates Containing π-Conjugated Planar Triangle.","Inorganic chemistry","2016","55","2","948","955","10.1021/acs.inorgchem.5b02523","","","0.71073","MoKα","","0.0581","0.0471","","","0.1175","0.1252","","","","","","1.085","","","","has coordinates","175526","2020-10-21","18:00:00",""
"4344607","24.7139","0.0002","21.6677","0.0002","20.0276","0.0001","90","","90","","90","","10724.7","0.14","292","2","292","2","","","","","","","","7","P b c n","-P 2n 2ab","60","","","","- Co4 Cs2.5 H33 Na1.5 O52 P W9 -","- Co4 Cs2.5 O47 P W9 -","- Co32 Cs20 O376 P8 W72 -","8","1","","Duan, Yan; Clemente-Juan, Juan M; Giménez-Saiz, Carlos; Coronado, Eugenio","Cobalt Clusters with Cubane-Type Topologies Based on Trivacant Polyoxometalate Ligands.","Inorganic chemistry","2016","55","2","925","938","10.1021/acs.inorgchem.5b02532","","","0.71073","MoKα","","0.0728","0.047","","","0.1346","0.1481","","","","","","1.051","","","","has coordinates","175527","2020-10-21","18:00:00",""
"4344608","12.4982","0.0005","12.6768","0.0006","33.332","0.002","90","","96.416","0.005","90","","5248","0.5","120","0.1","120","0.1","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- Co7 Cs7 H58 Na2 O100 P2 W18 -","- Co7 Cs7 Na2 O90 P2 W18 -","- Co14 Cs14 Na4 O180 P4 W36 -","2","0.5","","Duan, Yan; Clemente-Juan, Juan M; Giménez-Saiz, Carlos; Coronado, Eugenio","Cobalt Clusters with Cubane-Type Topologies Based on Trivacant Polyoxometalate Ligands.","Inorganic chemistry","2016","55","2","925","938","10.1021/acs.inorgchem.5b02532","","","0.71073","MoKα","","0.1883","0.1495","","","0.3933","0.4226","","","","","","1.299","","","","has coordinates,has disorder","175527","2020-10-21","18:00:00",""
"4344609","10.2222","0.0003","12.6115","0.0004","17.8646","0.0006","77.041","0.003","83.369","0.003","73.088","0.003","2144.21","0.12","120","0.1","120","0.1","","","","","","","","7","P -1","-P 1","2","","","","- Co8 H58 K5 Na2 O100 P2 W18 -","- Co8 K5 Na2 O100 P2 W18 -","- Co8 K5 Na2 O100 P2 W18 -","1","0.5","","Duan, Yan; Clemente-Juan, Juan M; Giménez-Saiz, Carlos; Coronado, Eugenio","Cobalt Clusters with Cubane-Type Topologies Based on Trivacant Polyoxometalate Ligands.","Inorganic chemistry","2016","55","2","925","938","10.1021/acs.inorgchem.5b02532","","","0.71073","MoKα","","0.0855","0.0519","","","0.1184","0.1428","","","","","","1.088","","","","has coordinates,has disorder","175527","2020-10-21","18:00:00",""
"4344610","12.7112","0.0003","12.7409","0.0004","23.7998","0.0006","101.199","0.002","93.011","0.002","105.768","0.002","3616.05","0.18","120","0.14","120","0.14","","","","","","","","6","P -1","-P 1","2","","","","- Co7 H94 Na15 O162 P4 W30 -","- Co7 Na15 O156 P4 W30 -","- Co7 Na15 O156 P4 W30 -","1","0.5","","Duan, Yan; Clemente-Juan, Juan M; Giménez-Saiz, Carlos; Coronado, Eugenio","Cobalt Clusters with Cubane-Type Topologies Based on Trivacant Polyoxometalate Ligands.","Inorganic chemistry","2016","55","2","925","938","10.1021/acs.inorgchem.5b02532","","","0.71073","MoKα","","0.0656","0.047","","","0.1044","0.1136","","","","","","0.965","","","","has coordinates,has disorder","175527","2020-10-21","18:00:00",""
"4344611","4.2837","0.0001","4.2837","0.0001","10.4482","0.0005","90","","90","","90","","191.725","0.011","293","2","293","2","","","","","","","","3","I 4 m m","I 4 -2","107","","","","- Cu Ga3 La -","- Cu Ga3 La -","- Cu2 Ga6 La2 -","2","0.125","","Subbarao, Udumula; Rayaprol, Sudhindra; Dally, Rebecca; Graf, Michael J.; Peter, Sebastian C.","Swinging Symmetry, Multiple Structural Phase Transitions, and Versatile Physical Properties in RECuGa3 (RE = La-Nd, Sm-Gd).","Inorganic chemistry","2016","55","2","666","675","10.1021/acs.inorgchem.5b02023","","","0.71073","MoKα","","0.0486","0.0464","","","0.1169","0.1183","","","","","","1.102","","","","has coordinates","175528","2020-10-21","18:00:00",""
"4344612","4.2487","0.0001","4.2487","0.0001","10.4372","0.0004","90","","90","","90","","188.407","0.01","293","2","293","2","","","","","","","","3","I 4 m m","I 4 -2","107","","","","- Ce Cu Ga3 -","- Ce Cu Ga3 -","- Ce2 Cu2 Ga6 -","2","0.125","","Subbarao, Udumula; Rayaprol, Sudhindra; Dally, Rebecca; Graf, Michael J.; Peter, Sebastian C.","Swinging Symmetry, Multiple Structural Phase Transitions, and Versatile Physical Properties in RECuGa3 (RE = La-Nd, Sm-Gd).","Inorganic chemistry","2016","55","2","666","675","10.1021/acs.inorgchem.5b02023","","","0.71073","MoKα","","0.035","0.034","","","0.0919","0.0924","","","","","","1.131","","","","has coordinates","175528","2020-10-21","18:00:00",""
"4344613","4.209","0.0001","4.209","0.0001","10.4885","0.0004","90","","90","","90","","185.811","0.009","293","2","293","2","","","","","","","","3","I 4 m m","I 4 -2","107","","","","- Cu Ga3 Pr -","- Cu Ga3 Pr -","- Cu2 Ga6 Pr2 -","2","0.125","","Subbarao, Udumula; Rayaprol, Sudhindra; Dally, Rebecca; Graf, Michael J.; Peter, Sebastian C.","Swinging Symmetry, Multiple Structural Phase Transitions, and Versatile Physical Properties in RECuGa3 (RE = La-Nd, Sm-Gd).","Inorganic chemistry","2016","55","2","666","675","10.1021/acs.inorgchem.5b02023","","","0.71073","MoKα","","0.0245","0.0244","","","0.0583","0.0583","","","","","","1.082","","","","has coordinates","175528","2020-10-21","18:00:00",""
"4344614","4.202","0.0003","4.202","0.0003","10.4151","0.0008","90","","90","","90","","183.9","0.02","293","2","293","2","","","","","","","","3","I 4 m m","I 4 -2","107","","","","- Cu Ga3 Nd -","- Cu Ga3 Nd -","- Cu2 Ga6 Nd2 -","2","0.125","","Subbarao, Udumula; Rayaprol, Sudhindra; Dally, Rebecca; Graf, Michael J.; Peter, Sebastian C.","Swinging Symmetry, Multiple Structural Phase Transitions, and Versatile Physical Properties in RECuGa3 (RE = La-Nd, Sm-Gd).","Inorganic chemistry","2016","55","2","666","675","10.1021/acs.inorgchem.5b02023","","","0.71073","MoKα","","0.0504","0.0429","","","0.1129","0.1334","","","","","","1.268","","","","has coordinates","175528","2020-10-21","18:00:00",""
"4344615","4.1441","0.0003","4.1441","0.0003","10.5568","0.0011","90","","90","","90","","181.3","0.03","293","2","293","2","","","","","","","","3","I 4 m m","I 4 -2","107","","","","- Cu Ga3 Sm -","- Cu Ga3 Sm -","- Cu2 Ga6 Sm2 -","2","0.125","","Subbarao, Udumula; Rayaprol, Sudhindra; Dally, Rebecca; Graf, Michael J.; Peter, Sebastian C.","Swinging Symmetry, Multiple Structural Phase Transitions, and Versatile Physical Properties in RECuGa3 (RE = La-Nd, Sm-Gd).","Inorganic chemistry","2016","55","2","666","675","10.1021/acs.inorgchem.5b02023","","","0.71073","MoKα","","0.0477","0.0475","","","0.118","0.1182","","","","","","1.067","","","","has coordinates","175528","2020-10-21","18:00:00",""
"4344616","4.2589","0.0002","4.2589","0.0002","10.6898","0.0007","90","","90","","90","","193.894","0.018","293","2","293","2","","","","","","","","3","I 4 m m","I 4 -2","107","","","","- Cu Eu Ga3 -","- Cu Eu Ga3 -","- Cu2 Eu2 Ga6 -","2","0.125","","Subbarao, Udumula; Rayaprol, Sudhindra; Dally, Rebecca; Graf, Michael J.; Peter, Sebastian C.","Swinging Symmetry, Multiple Structural Phase Transitions, and Versatile Physical Properties in RECuGa3 (RE = La-Nd, Sm-Gd).","Inorganic chemistry","2016","55","2","666","675","10.1021/acs.inorgchem.5b02023","","","0.71073","MoKα","","0.0312","0.0305","","","0.0724","0.0727","","","","","","1.094","","","","has coordinates","175528","2020-10-21","18:00:00",""
"4344617","4.119","0.0001","4.119","0.0001","10.5327","0.0004","90","","90","","90","","178.699","0.009","293","2","293","2","","","","","","","","3","I 4 m m","I 4 -2","107","","","","- Cu Ga3 Gd -","- Cu Ga3 Gd -","- Cu2 Ga6 Gd2 -","2","0.125","","Subbarao, Udumula; Rayaprol, Sudhindra; Dally, Rebecca; Graf, Michael J.; Peter, Sebastian C.","Swinging Symmetry, Multiple Structural Phase Transitions, and Versatile Physical Properties in RECuGa3 (RE = La-Nd, Sm-Gd).","Inorganic chemistry","2016","55","2","666","675","10.1021/acs.inorgchem.5b02023","","","0.71073","MoKα","","0.0261","0.0255","","","0.0649","0.065","","","","","","1.117","","","","has coordinates","175528","2020-10-21","18:00:00",""
"4344618","4.1913","0.0008","4.1913","0.0008","10.409","0.002","90","","90","","90","","182.85","0.06","200","2","200","2","","","","","","","","3","I 4 m m","I 4 -2","107","","","","- Cu Ga3 Nd -","- Cu Ga3 Nd -","- Cu2 Ga6 Nd2 -","2","0.125","","Subbarao, Udumula; Rayaprol, Sudhindra; Dally, Rebecca; Graf, Michael J.; Peter, Sebastian C.","Swinging Symmetry, Multiple Structural Phase Transitions, and Versatile Physical Properties in RECuGa3 (RE = La-Nd, Sm-Gd).","Inorganic chemistry","2016","55","2","666","675","10.1021/acs.inorgchem.5b02023","","","0.71073","MoKα","","0.044","0.044","","","0.1198","0.1198","","","","","","1.339","","","","has coordinates","175528","2020-10-21","18:00:00",""
"4344619","4.2194","0.0008","4.2194","0.0008","10.449","0.002","90","","90","","90","","186.03","0.06","400","2","400","2","","","","","","","","3","I 4 m m","I 4 -2","107","","","","- Cu Ga3 Nd -","- Cu Ga3 Nd -","- Cu2 Ga6 Nd2 -","2","0.125","","Subbarao, Udumula; Rayaprol, Sudhindra; Dally, Rebecca; Graf, Michael J.; Peter, Sebastian C.","Swinging Symmetry, Multiple Structural Phase Transitions, and Versatile Physical Properties in RECuGa3 (RE = La-Nd, Sm-Gd).","Inorganic chemistry","2016","55","2","666","675","10.1021/acs.inorgchem.5b02023","","","0.71073","MoKα","","0.0336","0.0335","","","0.0765","0.0766","","","","","","1.201","","","","has coordinates","175528","2020-10-21","18:00:00",""
"4344620","10.8657","0.0004","11.4436","0.0004","13.5006","0.0004","92.535","0.003","113.243","0.003","90.364","0.003","1540.43","0.1","110","2","110","2","","","","","","","","6","P -1","-P 1","2","","","","- C32 H84 F2 Mn5 N4 O46 -","- C32 H84 F2 Mn5 N4 O46 -","- C32 H84 F2 Mn5 N4 O46 -","1","0.5","","Kerber, William D.; Goheen, Joshua T.; Perez, Kaitlyn A.; Siegler, Maxime A.","Enhanced Stability of the Fe(II)/Mn(II) State in a Synthetic Model of Heterobimetallic Cofactor Assembly.","Inorganic chemistry","2016","55","2","848","857","10.1021/acs.inorgchem.5b02322","","","0.71073","MoKα","","0.036","0.0304","","","0.0648","0.0693","","","","","","1.113","","","","has coordinates","175529","2020-10-21","18:00:00",""
"4344621","10.8238","0.0003","11.3967","0.0003","13.4092","0.0004","92.709","0.002","113.42","0.003","90.301","0.002","1515.61","0.08","110","2","110","2","","","","","","","","6","P -1","-P 1","2","","","","- C32 H84 F2 Fe5 N4 O46 -","- C32 H84 F2 Fe5 N4 O46 -","- C32 H84 F2 Fe5 N4 O46 -","1","0.5","","Kerber, William D.; Goheen, Joshua T.; Perez, Kaitlyn A.; Siegler, Maxime A.","Enhanced Stability of the Fe(II)/Mn(II) State in a Synthetic Model of Heterobimetallic Cofactor Assembly.","Inorganic chemistry","2016","55","2","848","857","10.1021/acs.inorgchem.5b02322","","","0.71073","MoKα","","0.0339","0.031","","","0.0688","0.0719","","","","","","1.052","","","","has coordinates","175530","2020-10-21","18:00:00",""
"4344622","8.6642","0.0017","13.636","0.003","16.314","0.003","114.394","0.003","103.191","0.004","90.234","0.004","1698.5","0.6","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C34 H47 Fe N3 O7 -","- C34 H47 Fe N3 O7 -","- C68 H94 Fe2 N6 O14 -","2","1","","Delgado, Mayra; Ziegler, Joshua M.; Seda, Takele; Zakharov, Lev N.; Gilbertson, John D.","Pyridinediimine Iron Complexes with Pendant Redox-Inactive Metals Located in the Secondary Coordination Sphere.","Inorganic chemistry","2016","55","2","555","557","10.1021/acs.inorgchem.5b02544","","","0.71073","MoKα","","0.0962","0.0575","","","0.1331","0.1565","","","","","","1.006","","","","has coordinates","175531","2020-10-21","18:00:00",""
"4344623","18.4136","0.0013","13.6524","0.0009","16.8854","0.0012","90","","91.165","0.002","90","","4243.9","0.5","173","2","173","2","","","","","","","","9","P 1 21/c 1","-P 2ybc","14","","","","- C35 H48 Cl2 F6 Fe N3 Na O7 P -","- C35 H48 Cl2 F6 Fe N3 Na O7 P -","- C140 H192 Cl8 F24 Fe4 N12 Na4 O28 P4 -","4","1","","Delgado, Mayra; Ziegler, Joshua M.; Seda, Takele; Zakharov, Lev N.; Gilbertson, John D.","Pyridinediimine Iron Complexes with Pendant Redox-Inactive Metals Located in the Secondary Coordination Sphere.","Inorganic chemistry","2016","55","2","555","557","10.1021/acs.inorgchem.5b02544","","","0.71073","MoKα","","0.1045","0.0653","","","0.167","0.2048","","","","","","1.043","","","","has coordinates","175531","2020-10-21","18:00:00",""
"4344624","16.879","0.005","15.8","0.005","16.933","0.006","90","","115.586","0.008","90","","4073","2","173","2","173","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C36 H52 F6 Fe Li N3 O7.5 P -","- C34 H47 F6 Fe Li N3 O7 P -","- C136 H188 F24 Fe4 Li4 N12 O28 P4 -","4","1","","Delgado, Mayra; Ziegler, Joshua M.; Seda, Takele; Zakharov, Lev N.; Gilbertson, John D.","Pyridinediimine Iron Complexes with Pendant Redox-Inactive Metals Located in the Secondary Coordination Sphere.","Inorganic chemistry","2016","55","2","555","557","10.1021/acs.inorgchem.5b02544","","","0.71073","MoKα","","0.1111","0.0848","","","0.2366","0.2583","","","","","","1.023","","","","has coordinates","175531","2020-10-21","18:00:00",""
"4344625","22.8161","0.001","22.8161","0.001","14.7211","0.0008","90","","90","","120","","6636.7","0.5","100","1","100","1","","","","","","","","4","R -3 :H","-R 3","148","","","","- C48 H69 N3 O6 -","- C48 H69 N3 O6 -","- C288 H414 N18 O36 -","6","0.333333","","Kim, Jee Eon; Bogart, Justin A.; Carroll, Patrick J.; Schelter, Eric J.","Rare Earth Metal Complexes of Bidentate Nitroxide Ligands: Synthesis and Electrochemistry.","Inorganic chemistry","2016","55","2","775","784","10.1021/acs.inorgchem.5b02236","","","0.71073","MoKα","","0.0621","0.0426","","","0.0956","0.1055","","","","","","1.012","","","","has coordinates","175532","2020-10-21","18:00:00",""
"4344626","11.5266","0.0003","17.3016","0.0005","21.0553","0.0006","93.074","0.002","93.705","0.002","98.827","0.002","4132","0.2","100","1","100","1","","","","","","","","5","P -1","-P 1","2","","","","- C72 H86 Ce N6 O6 -","- C72 H86 Ce N6 O6 -","- C144 H172 Ce2 N12 O12 -","2","1","","Kim, Jee Eon; Bogart, Justin A.; Carroll, Patrick J.; Schelter, Eric J.","Rare Earth Metal Complexes of Bidentate Nitroxide Ligands: Synthesis and Electrochemistry.","Inorganic chemistry","2016","55","2","775","784","10.1021/acs.inorgchem.5b02236","","","0.71073","MoKα","","0.0799","0.0708","","","0.1783","0.1845","","","","","","1.06","","","","has coordinates","175532","2020-10-21","18:00:00",""
"4344627","12.1223","0.0005","24.8418","0.001","28.159","0.0011","65.602","0.002","80.124","0.002","77.713","0.002","7512.3","0.5","100","1","100","1","","","","","","","","6","P -1","-P 1","2","","","","- C303 H383 K4 N23 O40 Pr4 -","- C303 H383 K4 N23 O40 Pr4 -","- C303 H383 K4 N23 O40 Pr4 -","1","0.5","","Kim, Jee Eon; Bogart, Justin A.; Carroll, Patrick J.; Schelter, Eric J.","Rare Earth Metal Complexes of Bidentate Nitroxide Ligands: Synthesis and Electrochemistry.","Inorganic chemistry","2016","55","2","775","784","10.1021/acs.inorgchem.5b02236","","","0.71073","MoKα","","0.0919","0.0839","","","0.204","0.2098","","","","","","1.061","","","","has coordinates,has disorder","175532","2020-10-21","18:00:00",""
"4344628","12.7775","0.0005","13.3437","0.0005","19.6456","0.0007","82.354","0.002","78.333","0.002","70.19","0.002","3078.7","0.2","100","1","100","1","","","","","","","","6","P -1","-P 1","2","","","","- C63 H87 K N4 O8 Pr -","- C63 H87 K N4 O8 Pr -","- C126 H174 K2 N8 O16 Pr2 -","2","1","","Kim, Jee Eon; Bogart, Justin A.; Carroll, Patrick J.; Schelter, Eric J.","Rare Earth Metal Complexes of Bidentate Nitroxide Ligands: Synthesis and Electrochemistry.","Inorganic chemistry","2016","55","2","775","784","10.1021/acs.inorgchem.5b02236","","","0.71073","MoKα","","0.0388","0.0353","","","0.0849","0.0881","","","","","","1.11","","","","has coordinates,has disorder","175532","2020-10-21","18:00:00",""
"4344629","12.804","0.002","13","0.002","38.505","0.006","92.574","0.009","95.787","0.009","106.729","0.009","6088.3","1.7","100","1","100","1","","","","","","","","6","P -1","-P 1","2","","","","- C63 H87 K N4 O8 Tb -","- C63 H87 K N4 O8 Tb -","- C252 H348 K4 N16 O32 Tb4 -","4","2","","Kim, Jee Eon; Bogart, Justin A.; Carroll, Patrick J.; Schelter, Eric J.","Rare Earth Metal Complexes of Bidentate Nitroxide Ligands: Synthesis and Electrochemistry.","Inorganic chemistry","2016","55","2","775","784","10.1021/acs.inorgchem.5b02236","","","0.71073","MoKα","","0.1981","0.1713","","","0.404","0.4214","","","","","","1.207","","","","has coordinates","190287","2020-10-21","18:00:00",""
"4344630","11.4328","0.0004","18.0611","0.0006","23.3466","0.0009","90","","92.092","0.002","90","","4817.6","0.3","100","1","100","1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C53 H62 Cl2 N4 O4 Tb -","- C53 H62 Cl2 N4 O4 Tb -","- C212 H248 Cl8 N16 O16 Tb4 -","4","1","","Kim, Jee Eon; Bogart, Justin A.; Carroll, Patrick J.; Schelter, Eric J.","Rare Earth Metal Complexes of Bidentate Nitroxide Ligands: Synthesis and Electrochemistry.","Inorganic chemistry","2016","55","2","775","784","10.1021/acs.inorgchem.5b02236","","","0.71073","MoKα","","0.0978","0.0656","","","0.1483","0.1635","","","","","","1.135","","","","has coordinates","175532","2020-10-21","18:00:00",""
"4344631","12.0432","0.0004","24.8248","0.001","28.1632","0.0011","65.892","0.002","79.805","0.002","77.654","0.002","7469.8","0.5","100","1","100","1","","","","","","","","6","P -1","-P 1","2","","","","- C301 H381 K4 N25 O40 Tb4 -","- C301 H381 K4 N25 O40 Tb4 -","- C301 H381 K4 N25 O40 Tb4 -","1","0.5","","Kim, Jee Eon; Bogart, Justin A.; Carroll, Patrick J.; Schelter, Eric J.","Rare Earth Metal Complexes of Bidentate Nitroxide Ligands: Synthesis and Electrochemistry.","Inorganic chemistry","2016","55","2","775","784","10.1021/acs.inorgchem.5b02236","","","0.71073","MoKα","","0.0634","0.0485","","","0.1354","0.1459","","","","","","1.041","","","","has coordinates,has disorder","175532","2020-10-21","18:00:00",""
"4344632","9.7444","0.0009","9.2402","0.0008","10.0183","0.0009","90","","110.145","0.001","90","","846.87","0.13","293","2","293","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C4.67 H4.67 Co0.33 N0.67 O2.33 P0.67 S0.33 -","- C4.66667 H4.66667 Co0.333333 N0.666667 O2.33333 P0.666667 S0.333333 -","- C28 H28 Co2 N4 O14 P4 S2 -","6","3","","Gao, Chao-Ying; Wang, Fei; Tian, Hong-Rui; Li, Lei-Jiao; Zhang, Jian; Sun, Zhong-Ming","Particular Handedness Excess through Symmetry-Breaking Crystallization of a 3D Cobalt Phosphonate.","Inorganic chemistry","2016","55","2","537","539","10.1021/acs.inorgchem.5b02187","","","0.71073","MoKα","","0.0235","0.0225","","","0.0539","0.0543","","","","","","1.085","","","","has coordinates","175533","2020-10-21","18:00:00",""
"4344633","10.507","0.002","7.436","0.002","10.773","0.002","90","","90","","90","","841.7","0.3","293","2","293","2","","","","","","","","4","C m c e","-C 2ac 2","64","Gallium borate","Ga2B3O7(OH)","","- B3 Ga2 H O8 -","- B3 Ga2 O8 -","- B24 Ga16 O64 -","8","0.5","","Vitzthum, Daniela; Schauperl, Michael; Strabler, Christof M.; Brüggeller, Peter; Liedl, Klaus R.; Griesser, Ulrich J.; Huppertz, Hubert","New High-Pressure Gallium Borate Ga2B3O7(OH) with Photocatalytic Activity.","Inorganic chemistry","2016","55","2","676","681","10.1021/acs.inorgchem.5b02027","","","0.71073","MoKα","","0.029","0.0274","","","0.0766","0.0774","","","","","","1.145","","","","has coordinates","175534","2020-10-21","18:00:00",""
"4344634","22.9479","0.0006","18.895","0.0006","18.6299","0.0005","90","","90.928","0.002","90","","8076.9","0.4","173","2","173","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C39 H31.5 F1.5 Fe2 N4 O6 S2 -","- C36 H29 F Fe2 N4 O6 S2 -","- C288 H232 F8 Fe16 N32 O48 S16 -","8","1","","Durgaprasad, Gummadi; Xie, Zhu-Lin; Rose, Michael J.","Iron Hydride Detection and Intramolecular Hydride Transfer in a Synthetic Model of Mono-Iron Hydrogenase with a CNS Chelate.","Inorganic chemistry","2016","55","2","386","389","10.1021/acs.inorgchem.5b01733","","","1.5418","CuKα","","0.055","0.0414","","","0.1002","0.1056","","","","","","1.193","","","","has coordinates,has disorder","175535","2020-10-21","18:00:00",""
"4344635","14.1826","0.0006","20.0251","0.0008","17.0084","0.0008","90","","98.358","0.001","90","","4779.2","0.4","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C61 H50 Fe N2 O2 P2 -","- C61 H50 Fe N2 O2 P2 -","- C244 H200 Fe4 N8 O8 P8 -","4","1","","Durgaprasad, Gummadi; Xie, Zhu-Lin; Rose, Michael J.","Iron Hydride Detection and Intramolecular Hydride Transfer in a Synthetic Model of Mono-Iron Hydrogenase with a CNS Chelate.","Inorganic chemistry","2016","55","2","386","389","10.1021/acs.inorgchem.5b01733","","","0.71075","MoKα","","0.0519","0.0399","","","0.0849","0.09","","","","","","1.065","","","","has coordinates","175535","2020-10-21","18:00:00",""
"4344636","12.7716","0.0009","16.7649","0.0012","17.7755","0.0012","101.786","0.001","90.048","0.001","97.417","0.001","3693.1","0.4","296","2","296","2","","","","","","","","9","P -1","-P 1","2","","","","- C69 H49 B F24 Fe2 N2 O4 P2 S2 -","- C69 H49 B F24 Fe2 N2 O4 P2 S2 -","- C138 H98 B2 F48 Fe4 N4 O8 P4 S4 -","2","1","","Zheng, Dehua; Wang, Mei; Wang, Ning; Cheng, Minglun; Sun, Licheng","Effect of Bridgehead Steric Bulk on the Intramolecular C-H Heterolysis of [FeFe]-Hydrogenase Active Site Models Containing a P2N2 Pendant Amine Ligand.","Inorganic chemistry","2016","55","2","411","418","10.1021/acs.inorgchem.5b00923","","","0.71073","MoKα","","0.1285","0.0866","","","0.2556","0.2801","","","","","","1.078","","","","has coordinates,has disorder","175536","2020-10-21","18:00:00",""
"4344637","13.0997","0.0013","17.3147","0.0016","21.0259","0.0019","111.2","0.006","107.729","0.006","91.89","0.007","4179.8","0.7","296","2","296","2","","","","","","","","10","P -1","-P 1","2","","","","- C75 H61 B Cl4 F24 Fe2 N2 O4 P2 S2 -","- C75 H61 B Cl4 F24 Fe2 N2 O4 P2 S2 -","- C150 H122 B2 Cl8 F48 Fe4 N4 O8 P4 S4 -","2","1","","Zheng, Dehua; Wang, Mei; Wang, Ning; Cheng, Minglun; Sun, Licheng","Effect of Bridgehead Steric Bulk on the Intramolecular C-H Heterolysis of [FeFe]-Hydrogenase Active Site Models Containing a P2N2 Pendant Amine Ligand.","Inorganic chemistry","2016","55","2","411","418","10.1021/acs.inorgchem.5b00923","","","0.71073","MoKα","","0.2173","0.1113","","","0.294","0.3415","","","","","","1","","","","has coordinates","175537","2020-10-21","18:00:00",""
"4344638","14.066","0.0003","17.9329","0.0003","16.3025","0.0004","90","","101.448","0.001","90","","4030.4","0.15","296","2","296","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C38 H40 Cl2 Fe2 N2 O4 P2 S2 -","- C38 H40 Cl2 Fe2 N2 O4 P2 S2 -","- C152 H160 Cl8 Fe8 N8 O16 P8 S8 -","4","1","","Zheng, Dehua; Wang, Mei; Wang, Ning; Cheng, Minglun; Sun, Licheng","Effect of Bridgehead Steric Bulk on the Intramolecular C-H Heterolysis of [FeFe]-Hydrogenase Active Site Models Containing a P2N2 Pendant Amine Ligand.","Inorganic chemistry","2016","55","2","411","418","10.1021/acs.inorgchem.5b00923","","","0.71073","MoKα","","0.0479","0.0363","","","0.0922","0.0969","","","","","","1.06","","","","has coordinates","175538","2020-10-21","18:00:00",""
"4344639","18.1015","0.0009","18.1158","0.0009","23.999","0.0012","90","","90","","90","","7869.8","0.7","110","","110","","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C39 H42 Fe2 N2 O4 P2 S2 -","- C39 H42 Fe2 N2 O4 P2 S2 -","- C312 H336 Fe16 N16 O32 P16 S16 -","8","1","","Zheng, Dehua; Wang, Mei; Wang, Ning; Cheng, Minglun; Sun, Licheng","Effect of Bridgehead Steric Bulk on the Intramolecular C-H Heterolysis of [FeFe]-Hydrogenase Active Site Models Containing a P2N2 Pendant Amine Ligand.","Inorganic chemistry","2016","55","2","411","418","10.1021/acs.inorgchem.5b00923","","x-ray","0.71073","MoKα","","0.102","0.0472","","","0.0937","0.1122","","","","","","0.991","","","","has coordinates,has disorder","175539","2020-10-21","18:00:00",""
"4344640","12.7976","0.0013","13.3807","0.0013","13.8252","0.0014","96.816","0.002","106.05","0.002","117.22","0.002","1938.2","0.3","296","2","296","2","","","","","","","","10","P 1","P 1","1","","","","- C72 H55 B Cl2 F24 Fe2 N2 O4 P2 S2 -","- C72 H55 B Cl2 F24 Fe2 N2 O4 P2 S2 -","- C72 H55 B Cl2 F24 Fe2 N2 O4 P2 S2 -","1","1","","Zheng, Dehua; Wang, Mei; Wang, Ning; Cheng, Minglun; Sun, Licheng","Effect of Bridgehead Steric Bulk on the Intramolecular C-H Heterolysis of [FeFe]-Hydrogenase Active Site Models Containing a P2N2 Pendant Amine Ligand.","Inorganic chemistry","2016","55","2","411","418","10.1021/acs.inorgchem.5b00923","","","0.71073","MoKα","","0.0508","0.0434","","","0.1133","0.1203","","","","","","1.073","","","","has coordinates,has disorder","175540","2020-10-21","18:00:00",""
"4344641","14.354","0.008","10.238","0.005","17.524","0.009","90","","91.551","0.009","90","","2574","2","295","1","295","1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C24 H22 Cl4 N2 O4 V -","- C24 H22 Cl4 N2 O4 V -","- C96 H88 Cl16 N8 O16 V4 -","4","1","","Reytman, Lilia; Braitbard, Ori; Hochman, Jacob; Tshuva, Edit Y.","Highly Effective and Hydrolytically Stable Vanadium(V) Amino Phenolato Antitumor Agents.","Inorganic chemistry","2016","55","2","610","618","10.1021/acs.inorgchem.5b02519","","","0.71073","MoKα","","0.1063","0.0999","","","0.1986","0.202","","","","","","1.297","","","","has coordinates","175541","2020-10-21","18:00:00",""
"4344642","22.2497","0.0007","7.3225","0.0002","7.1209","0.0002","90","","106.633","0.004","90","","1111.62","0.06","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C3 H11 Fe N2 O10 P2 -","- C3 H11 Fe N2 O10 P2 -","- C12 H44 Fe4 N8 O40 P8 -","4","0.5","","Su, Xuelian; Yao, Zizhu; Ye, Yingxiang; Zeng, Heng; Xu, Gang; Wu, Ling; Ma, Xiuling; Chen, Qian-Huo; Wang, Lihua; Zhang, Zhangjing; Xiang, Shengchang","40-Fold Enhanced Intrinsic Proton Conductivity in Coordination Polymers with the Same Proton-Conducting Pathway by Tuning Metal Cation Nodes.","Inorganic chemistry","2016","55","2","983","986","10.1021/acs.inorgchem.5b02686","","","1.54184","CuKα","","0.039","0.0384","","","0.1175","0.1185","","","","","","1.078","","","","has coordinates","175542","2020-10-21","18:00:00",""
"4344643","9.098","0.005","11.717","0.005","14.371","0.005","87.015","0.005","80.229","0.005","86.041","0.005","1504.9","1.2","293","2","293","2","","","","","","","synthesis as described","4","P -1","-P 1","2","","","","- C15 H35 O28 Sm2 -","- C15 H3 O28 Sm2 -","- C30 H6 O56 Sm4 -","2","1","","Freslon, Stéphane; Luo, Yun; Daiguebonne, Carole; Calvez, Guillaume; Bernot, Kevin; Guillou, Olivier","Brightness and Color Tuning in a Series of Lanthanide-Based Coordination Polymers with Benzene-1,2,4,5-tetracarboxylic Acid as a Ligand.","Inorganic chemistry","2016","55","2","794","802","10.1021/acs.inorgchem.5b02242","","x-ray","0.71073","MoKα","","0.054","0.0459","","","0.1179","0.1353","","","","","","1.242","","","","has coordinates","190336","2020-10-21","18:00:00",""
"4344644","8.958","0.002","9.063","0.002","14.401","0.004","94.943","0.005","91.17","0.004","98.95","0.004","1150","0.5","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C24 H19 Eu N4 O8 S -","- C24 H19 Eu N4 O8 S -","- C48 H38 Eu2 N8 O16 S2 -","2","1","","An, Ran; Zhao, Hui; Hu, Huai-Ming; Wang, Xiaofang; Yang, Meng-Lin; Xue, Ganglin","Synthesis, Structure, White-Light Emission, and Temperature Recognition Properties of Eu/Tb Mixed Coordination Polymers.","Inorganic chemistry","2016","55","2","871","876","10.1021/acs.inorgchem.5b02375","","","0.71073","MoKα","","0.0345","0.0305","","","0.0642","0.0665","","","","","","1.023","","","","has coordinates","175544","2020-10-21","18:00:00",""
"4344645","8.2233","0.0009","14.9061","0.0017","20.75","0.002","90","","98.766","0.002","90","","2513.8","0.5","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C24 H19 Eu N4 O9 S -","- C24 H17 Eu N4 O9 S -","- C96 H68 Eu4 N16 O36 S4 -","4","1","","An, Ran; Zhao, Hui; Hu, Huai-Ming; Wang, Xiaofang; Yang, Meng-Lin; Xue, Ganglin","Synthesis, Structure, White-Light Emission, and Temperature Recognition Properties of Eu/Tb Mixed Coordination Polymers.","Inorganic chemistry","2016","55","2","871","876","10.1021/acs.inorgchem.5b02375","","","0.71073","MoKα","","0.0379","0.03","","","0.0655","0.069","","","","","","1.025","","","","has coordinates","175545","2020-10-21","18:00:00",""
"4344646","8.1835","0.0009","14.8938","0.0017","20.816","0.002","90","","98.721","0.002","90","","2507.8","0.5","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C48 H42 N8 O18 S2 Tb2 -","- C48 H34 N8 O18 S2 Tb2 -","- C96 H68 N16 O36 S4 Tb4 -","2","0.5","","An, Ran; Zhao, Hui; Hu, Huai-Ming; Wang, Xiaofang; Yang, Meng-Lin; Xue, Ganglin","Synthesis, Structure, White-Light Emission, and Temperature Recognition Properties of Eu/Tb Mixed Coordination Polymers.","Inorganic chemistry","2016","55","2","871","876","10.1021/acs.inorgchem.5b02375","","","0.71073","MoKα","","0.0406","0.0302","","","0.0629","0.0671","","","","","","1.019","","","","has coordinates","175546","2020-10-21","18:00:00",""
"4344647","8.9396","0.0014","9.0617","0.0014","14.447","0.002","94.593","0.002","91.047","0.003","98.524","0.002","1153.1","0.3","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C24 H19 N4 O8 S Tb -","- C24 H19 N4 O8 S Tb -","- C48 H38 N8 O16 S2 Tb2 -","2","1","","An, Ran; Zhao, Hui; Hu, Huai-Ming; Wang, Xiaofang; Yang, Meng-Lin; Xue, Ganglin","Synthesis, Structure, White-Light Emission, and Temperature Recognition Properties of Eu/Tb Mixed Coordination Polymers.","Inorganic chemistry","2016","55","2","871","876","10.1021/acs.inorgchem.5b02375","","","0.71073","MoKα","","0.0388","0.0321","","","0.0654","0.0686","","","","","","1.033","","","","has coordinates","175547","2020-10-21","18:00:00",""
"4344648","15.457","0.005","11.681","0.004","17.374","0.006","90","","90","","90","","3136.9","1.8","90","","90","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C13 H13 Mn N8 O -","- C13 H13 Mn N8 O -","- C104 H104 Mn8 N64 O8 -","8","1","","Ogawa, Hiraku; Mori, Koya; Murashima, Kensuke; Karasawa, Satoru; Koga, Noboru","One-, Two-, and Three-Dimensional Heterospin Complexes Consisting of 4-(N-tert-Butyloxylamino)pyridine (4NOpy), Dicyanamide Ion (DCA), and 3d Metal Ions: Crystal Structures and Magnetic Properties of [M(II)(4NOpy)x(DCA)y(CH3CN)z]n (M = Mn, Co, Ni, Cu, Zn).","Inorganic chemistry","2016","55","2","717","728","10.1021/acs.inorgchem.5b02159","","","0.71069","MoKα","","","0.0334","","","","0.0784","","","","","","1.034","","","","has coordinates","175548","2020-10-21","18:00:00",""
"4344649","11.942","0.002","11.0651","0.0019","23.555","0.004","90","","90","","90","","3112.5","0.9","90","","90","","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C26 H32 Co N12 O2 -","- C26 H32 Co N12 O2 -","- C104 H128 Co4 N48 O8 -","4","1","","Ogawa, Hiraku; Mori, Koya; Murashima, Kensuke; Karasawa, Satoru; Koga, Noboru","One-, Two-, and Three-Dimensional Heterospin Complexes Consisting of 4-(N-tert-Butyloxylamino)pyridine (4NOpy), Dicyanamide Ion (DCA), and 3d Metal Ions: Crystal Structures and Magnetic Properties of [M(II)(4NOpy)x(DCA)y(CH3CN)z]n (M = Mn, Co, Ni, Cu, Zn).","Inorganic chemistry","2016","55","2","717","728","10.1021/acs.inorgchem.5b02159","","","0.71069","MoKα","","","0.0619","","","","0.1618","","","","","","1.033","","","","has coordinates","175548","2020-10-21","18:00:00",""
"4344650","11.892","0.005","11.012","0.004","23.526","0.009","90","","90","","90","","3081","2","90","","90","","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C26 H32 N12 Ni O2 -","- C26 H32 N12 Ni O2 -","- C104 H128 N48 Ni4 O8 -","4","1","","Ogawa, Hiraku; Mori, Koya; Murashima, Kensuke; Karasawa, Satoru; Koga, Noboru","One-, Two-, and Three-Dimensional Heterospin Complexes Consisting of 4-(N-tert-Butyloxylamino)pyridine (4NOpy), Dicyanamide Ion (DCA), and 3d Metal Ions: Crystal Structures and Magnetic Properties of [M(II)(4NOpy)x(DCA)y(CH3CN)z]n (M = Mn, Co, Ni, Cu, Zn).","Inorganic chemistry","2016","55","2","717","728","10.1021/acs.inorgchem.5b02159","","","0.71069","MoKα","","","0.0381","","","","0.1026","","","","","","1.031","","","","has coordinates","175548","2020-10-21","18:00:00",""
"4344651","11.9299","","10.133","","23.6346","","90","","90","","90","","2857.08","","90","","90","","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C22 H26 N10 Ni O2 -","- C22 H26 N10 Ni O2 -","- C88 H104 N40 Ni4 O8 -","4","1","","Ogawa, Hiraku; Mori, Koya; Murashima, Kensuke; Karasawa, Satoru; Koga, Noboru","One-, Two-, and Three-Dimensional Heterospin Complexes Consisting of 4-(N-tert-Butyloxylamino)pyridine (4NOpy), Dicyanamide Ion (DCA), and 3d Metal Ions: Crystal Structures and Magnetic Properties of [M(II)(4NOpy)x(DCA)y(CH3CN)z]n (M = Mn, Co, Ni, Cu, Zn).","Inorganic chemistry","2016","55","2","717","728","10.1021/acs.inorgchem.5b02159","","","0.71075","MoKα","","0.1531","0.078","","","0.1694","0.2036","","","","","","0.988","","","","has coordinates","175548","2020-10-21","18:00:00",""
"4344652","7.204","0.002","10.191","0.003","12.924","0.004","81.625","0.003","74.034","0.003","85.718","0.003","901.9","0.5","90","","90","","","","","","","","","5","P -1","-P 1","2","","","","- C15 H16 Cu N9 O -","- C15 H16 Cu N9 O -","- C30 H32 Cu2 N18 O2 -","2","1","","Ogawa, Hiraku; Mori, Koya; Murashima, Kensuke; Karasawa, Satoru; Koga, Noboru","One-, Two-, and Three-Dimensional Heterospin Complexes Consisting of 4-(N-tert-Butyloxylamino)pyridine (4NOpy), Dicyanamide Ion (DCA), and 3d Metal Ions: Crystal Structures and Magnetic Properties of [M(II)(4NOpy)x(DCA)y(CH3CN)z]n (M = Mn, Co, Ni, Cu, Zn).","Inorganic chemistry","2016","55","2","717","728","10.1021/acs.inorgchem.5b02159","","","0.71069","MoKα","","0.0565","0.0511","","","0.1467","0.1572","","","","","","1.179","","","","has coordinates","175548","2020-10-21","18:00:00",""
"4344653","22.121","0.004","9.5192","0.0014","11.4148","0.0017","90","","103.333","0.002","90","","2338.9","0.6","90","","90","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H26 Cu N8 O5 -","- C20 H26 Cu N8 O5 -","- C80 H104 Cu4 N32 O20 -","4","1","","Ogawa, Hiraku; Mori, Koya; Murashima, Kensuke; Karasawa, Satoru; Koga, Noboru","One-, Two-, and Three-Dimensional Heterospin Complexes Consisting of 4-(N-tert-Butyloxylamino)pyridine (4NOpy), Dicyanamide Ion (DCA), and 3d Metal Ions: Crystal Structures and Magnetic Properties of [M(II)(4NOpy)x(DCA)y(CH3CN)z]n (M = Mn, Co, Ni, Cu, Zn).","Inorganic chemistry","2016","55","2","717","728","10.1021/acs.inorgchem.5b02159","","","0.71069","MoKα","","","0.0277","","","","0.0785","","","","","","1.046","","","","has coordinates","175548","2020-10-21","18:00:00",""
"4344654","20.762","0.004","11.881","0.003","12.58","0.003","90","","94.434","0.003","90","","3093.9","1.2","90","","90","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H32 N12 O2 Zn -","- C26 H32 N12 O2 Zn -","- C104 H128 N48 O8 Zn4 -","4","1","","Ogawa, Hiraku; Mori, Koya; Murashima, Kensuke; Karasawa, Satoru; Koga, Noboru","One-, Two-, and Three-Dimensional Heterospin Complexes Consisting of 4-(N-tert-Butyloxylamino)pyridine (4NOpy), Dicyanamide Ion (DCA), and 3d Metal Ions: Crystal Structures and Magnetic Properties of [M(II)(4NOpy)x(DCA)y(CH3CN)z]n (M = Mn, Co, Ni, Cu, Zn).","Inorganic chemistry","2016","55","2","717","728","10.1021/acs.inorgchem.5b02159","","","0.71075","MoKα","","0.1069","0.0986","","","0.2528","0.2562","","","","","","1.23","","","","has coordinates","175548","2020-10-21","18:00:00",""
"4344655","11.899","0.002","11.027","0.002","23.538","0.005","90","","90","","90","","3088.4","1","90","","90","","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C26 H32 N12 O2 Zn -","- C25.9998 H32 N12 O2 Zn -","- C103.999 H128 N48 O8 Zn4 -","4","1","","Ogawa, Hiraku; Mori, Koya; Murashima, Kensuke; Karasawa, Satoru; Koga, Noboru","One-, Two-, and Three-Dimensional Heterospin Complexes Consisting of 4-(N-tert-Butyloxylamino)pyridine (4NOpy), Dicyanamide Ion (DCA), and 3d Metal Ions: Crystal Structures and Magnetic Properties of [M(II)(4NOpy)x(DCA)y(CH3CN)z]n (M = Mn, Co, Ni, Cu, Zn).","Inorganic chemistry","2016","55","2","717","728","10.1021/acs.inorgchem.5b02159","","","0.71069","MoKα","","0.0785","0.0638","","","0.1739","0.1867","","","","","","1.036","","","","has coordinates","175548","2020-10-21","18:00:00",""
"4344656","12.0042","","10.037","","23.7718","","90","","90","","90","","2864.17","","90","","90","","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C22 H26 N10 O2 Zn -","- C22 H26 N10 O2 Zn -","- C88 H104 N40 O8 Zn4 -","4","1","","Ogawa, Hiraku; Mori, Koya; Murashima, Kensuke; Karasawa, Satoru; Koga, Noboru","One-, Two-, and Three-Dimensional Heterospin Complexes Consisting of 4-(N-tert-Butyloxylamino)pyridine (4NOpy), Dicyanamide Ion (DCA), and 3d Metal Ions: Crystal Structures and Magnetic Properties of [M(II)(4NOpy)x(DCA)y(CH3CN)z]n (M = Mn, Co, Ni, Cu, Zn).","Inorganic chemistry","2016","55","2","717","728","10.1021/acs.inorgchem.5b02159","","","0.71075","MoKα","","0.1015","0.0643","","","0.165","0.1894","","","","","","1.058","","","","has coordinates","175548","2020-10-21","18:00:00",""
"4344657","12.0506","0.0017","10.0032","0.0015","23.774","0.003","90","","90","","90","","2865.8","0.7","223","","223","","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C22 H26 Co N10 O2 -","- C22 H26 Co N10 O2 -","- C88 H104 Co4 N40 O8 -","4","1","","Ogawa, Hiraku; Mori, Koya; Murashima, Kensuke; Karasawa, Satoru; Koga, Noboru","One-, Two-, and Three-Dimensional Heterospin Complexes Consisting of 4-(N-tert-Butyloxylamino)pyridine (4NOpy), Dicyanamide Ion (DCA), and 3d Metal Ions: Crystal Structures and Magnetic Properties of [M(II)(4NOpy)x(DCA)y(CH3CN)z]n (M = Mn, Co, Ni, Cu, Zn).","Inorganic chemistry","2016","55","2","717","728","10.1021/acs.inorgchem.5b02159","","","0.71075","MoKα","","0.0774","0.0508","","","0.1434","0.1601","","","","","","1.088","","","","has coordinates","175548","2020-10-21","18:00:00",""
"4344658","12.4818","0.0004","18.3289","0.0006","14.3622","0.0003","90","","97.549","0.002","90","","3257.27","0.16","173","","173","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C30 H32 Br K N2 O10 U -","- C30 H32 Br K N2 O10 U -","- C120 H128 Br4 K4 N8 O40 U4 -","4","1","","Mäkelä, Toni; Minkkinen, Miia-Elina; Rissanen, Kari","Ion Pair Binding in the Solid-State with Ditopic Crown Ether Uranyl Salophen Receptors.","Inorganic chemistry","2016","55","3","1339","1346","10.1021/acs.inorgchem.5b02780","","","0.71073","MoKα","","0.0822","0.0441","","","0.0788","0.0925","","","","","","1.046","","","","has coordinates","175549","2020-10-21","18:00:00",""
"4344659","16.8727","0.0006","14.6233","0.0003","17.8452","0.0006","90","","111.992","0.001","90","","4082.6","0.2","123","2","123.15","","","","","","","","","7","P 1 21/a 1","-P 2yab","14","","","","- C36 H41 Cl Cs N5 O10 U -","- C36 H41 Cl Cs N5 O10 U -","- C144 H164 Cl4 Cs4 N20 O40 U4 -","4","1","","Mäkelä, Toni; Minkkinen, Miia-Elina; Rissanen, Kari","Ion Pair Binding in the Solid-State with Ditopic Crown Ether Uranyl Salophen Receptors.","Inorganic chemistry","2016","55","3","1339","1346","10.1021/acs.inorgchem.5b02780","","","0.71073","MoKα","","0.0576","0.0352","","","0.0675","0.0755","","","","","","1.026","","","","has coordinates","175550","2020-10-21","18:00:00",""
"4344660","13.55643","0.00015","55.9218","0.0009","25.9826","0.0005","90","","91.3064","0.0012","90","","19692.3","0.5","293","2","293","2","","","","","","","","7","P 1 21/m 1","-P 2yb","11","","","","- C166 H196 Br5 N18 Na5 O58 U5 -","- C166 H196 Br5 N18 Na5 O58 U5 -","- C664 H784 Br20 N72 Na20 O232 U20 -","4","1","","Mäkelä, Toni; Minkkinen, Miia-Elina; Rissanen, Kari","Ion Pair Binding in the Solid-State with Ditopic Crown Ether Uranyl Salophen Receptors.","Inorganic chemistry","2016","55","3","1339","1346","10.1021/acs.inorgchem.5b02780","","","0.71073","MoKα","","0.0805","0.0635","","","0.1115","0.1171","","","","","","1.139","","","","has coordinates,has disorder","175551","2020-10-21","18:00:00",""
"4344661","10.7636","0.0003","19.3246","0.0005","20.1849","0.0006","77.055","0.002","87.563","0.002","76.618","0.002","3980.5","0.2","123.01","0.1","123.01","0.1","","","","","","","","7","P -1","-P 1","2","","","","- C67 H84 I2 K2 N7.5 O25.5 U2 -","- C67 H84 I2 K2 N7.5 O25.5 U2 -","- C134 H168 I4 K4 N15 O51 U4 -","2","1","","Mäkelä, Toni; Minkkinen, Miia-Elina; Rissanen, Kari","Ion Pair Binding in the Solid-State with Ditopic Crown Ether Uranyl Salophen Receptors.","Inorganic chemistry","2016","55","3","1339","1346","10.1021/acs.inorgchem.5b02780","","","0.71073","MoKα","","0.0371","0.0305","","","0.0702","0.0738","","","","","","1.029","","","","has coordinates,has disorder","175552","2020-10-21","18:00:00",""
"4344662","15.6623","0.0002","16.1742","0.0002","15.9467","0.0002","90","","111.513","0.001","90","","3758.27","0.09","123","","123","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C34 H42 Br N5 O10 U -","- C34 H42 Br N5 O10 U -","- C136 H168 Br4 N20 O40 U4 -","4","1","","Mäkelä, Toni; Minkkinen, Miia-Elina; Rissanen, Kari","Ion Pair Binding in the Solid-State with Ditopic Crown Ether Uranyl Salophen Receptors.","Inorganic chemistry","2016","55","3","1339","1346","10.1021/acs.inorgchem.5b02780","","","0.71073","MoKα","","0.0803","0.0404","","","0.0785","0.0991","","","","","","1.112","","","","has coordinates","175553","2020-10-21","18:00:00",""
"4344663","21.3355","0.0002","24.9757","0.0003","31.4697","0.0004","90","","90","","90","","16769.2","0.3","123.15","","123.15","","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C35 H52 F N2 Na O15.5 U -","- C35 H52 F N2 Na O15.5 U -","- C560 H832 F16 N32 Na16 O248 U16 -","16","2","","Mäkelä, Toni; Minkkinen, Miia-Elina; Rissanen, Kari","Ion Pair Binding in the Solid-State with Ditopic Crown Ether Uranyl Salophen Receptors.","Inorganic chemistry","2016","55","3","1339","1346","10.1021/acs.inorgchem.5b02780","","","0.71073","MoKα","","0.0841","0.0466","","","0.0834","0.0959","","","","","","1.035","","","","has coordinates","190287","2020-10-21","18:00:00",""
"4344664","8.02121","0.00018","32.1044","0.0011","25.8906","0.0006","90","","97.497","0.002","90","","6610.3","0.3","170","","170","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C29 H32 Br N2 Na O10 U -","- C28.5 H31 Br N2 Na O10 U -","- C228 H248 Br8 N16 Na8 O80 U8 -","8","2","","Mäkelä, Toni; Minkkinen, Miia-Elina; Rissanen, Kari","Ion Pair Binding in the Solid-State with Ditopic Crown Ether Uranyl Salophen Receptors.","Inorganic chemistry","2016","55","3","1339","1346","10.1021/acs.inorgchem.5b02780","","","0.71073","MoKα","","0.0741","0.0612","","","0.1566","0.1674","","","","","","1.069","","","","has coordinates,has disorder","286259","2023-09-07","06:04:50",""
"4344665","15.938","0.0003","15.887","0.0002","15.9668","0.0003","90","","113.099","0.002","90","","3718.78","0.12","173","","173","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C33 H36.5 Cl N3.5 O10 Rb U -","- C33 H36.5 Cl N3.5 O10 Rb U -","- C132 H146 Cl4 N14 O40 Rb4 U4 -","4","1","","Mäkelä, Toni; Minkkinen, Miia-Elina; Rissanen, Kari","Ion Pair Binding in the Solid-State with Ditopic Crown Ether Uranyl Salophen Receptors.","Inorganic chemistry","2016","55","3","1339","1346","10.1021/acs.inorgchem.5b02780","","","0.71073","MoKα","","0.0355","0.0282","","","0.0703","0.0744","","","","","","1.021","","","","has coordinates","175556","2020-10-21","18:00:00",""
"4344666","14.4915","0.0002","16.7088","0.0002","15.9434","0.0002","90","","101.521","0.0015","90","","3782.68","0.09","173","","173","","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C32 H38.8 Cs F N2 O11 S1.6 U -","- C32 H38.8 Cs F N2 O11 S1.6 U -","- C128 H155.2 Cs4 F4 N8 O44 S6.4 U4 -","4","1","","Mäkelä, Toni; Minkkinen, Miia-Elina; Rissanen, Kari","Ion Pair Binding in the Solid-State with Ditopic Crown Ether Uranyl Salophen Receptors.","Inorganic chemistry","2016","55","3","1339","1346","10.1021/acs.inorgchem.5b02780","","","0.71073","MoKα","","0.0328","0.0281","","","0.0622","0.0645","","","","","","1.05","","","","has coordinates,has disorder","175557","2020-10-21","18:00:00",""
"4344667","26.8748","0.0007","7.85585","0.00016","31.2173","0.0007","90","","90","","90","","6590.7","0.3","170","","170","","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C30 H38 N2 O12 S U -","- C30 H38 N2 O12 S U -","- C240 H304 N16 O96 S8 U8 -","8","1","","Mäkelä, Toni; Minkkinen, Miia-Elina; Rissanen, Kari","Ion Pair Binding in the Solid-State with Ditopic Crown Ether Uranyl Salophen Receptors.","Inorganic chemistry","2016","55","3","1339","1346","10.1021/acs.inorgchem.5b02780","","","0.71073","MoKα","","0.0369","0.0248","","","0.0493","0.0534","","","","","","1.062","","","","has coordinates","175558","2020-10-21","18:00:00",""
"4344668","24.2244","0.001","17.157","0.0011","8.0439","0.0005","90","","108.615","0.004","90","","3168.3","0.3","123","","123","","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C30 H38 N2 O13 U -","- C30 H38 N2 O13 U -","- C120 H152 N8 O52 U4 -","4","1","","Mäkelä, Toni; Minkkinen, Miia-Elina; Rissanen, Kari","Ion Pair Binding in the Solid-State with Ditopic Crown Ether Uranyl Salophen Receptors.","Inorganic chemistry","2016","55","3","1339","1346","10.1021/acs.inorgchem.5b02780","","","0.71073","MoKα","","0.0337","0.0261","","","0.0563","0.059","","","","","","1.044","","","","has coordinates","175559","2020-10-21","18:00:00",""
"4344669","12.0489","0.0002","18.5382","0.0003","16.2273","0.0003","90","","94.06","0.001","90","","3615.51","0.11","123","2","123.15","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C34 H43 K N2 O14 U -","- C34 H43 K N2 O14 U -","- C136 H172 K4 N8 O56 U4 -","4","1","","Mäkelä, Toni; Minkkinen, Miia-Elina; Rissanen, Kari","Ion Pair Binding in the Solid-State with Ditopic Crown Ether Uranyl Salophen Receptors.","Inorganic chemistry","2016","55","3","1339","1346","10.1021/acs.inorgchem.5b02780","","","0.71073","MoKα","","0.0356","0.0268","","","0.0524","0.0552","","","","","","1.036","","","","has coordinates","175560","2020-10-21","18:00:00",""
"4344670","15.36","0.0007","16.1948","0.0006","15.6551","0.0007","90","","113.516","0.002","90","","3570.8","0.3","123","2","123.15","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C33.5 H38.5 F K N3.5 O10.5 U -","- C33.5 H38.5 F K N3.5 O10.5 U -","- C134 H154 F4 K4 N14 O42 U4 -","4","1","","Mäkelä, Toni; Minkkinen, Miia-Elina; Rissanen, Kari","Ion Pair Binding in the Solid-State with Ditopic Crown Ether Uranyl Salophen Receptors.","Inorganic chemistry","2016","55","3","1339","1346","10.1021/acs.inorgchem.5b02780","","","0.71073","MoKα","","0.0542","0.0349","","","0.0736","0.0821","","","","","","1.017","","","","has coordinates,has disorder","175561","2020-10-21","18:00:00",""
"4344671","10.5154","0.0002","12.9926","0.0002","31.2989","0.0005","94.453","0.001","97.533","0.001","112.139","0.001","3888.91","0.12","123","2","123.15","","","","","","","","","7","P -1","-P 1","2","","","","- C66.8 H93.6 Br2 N4 Na2 O28 U2 -","- C66.8 H93.6 Br2 N4 Na2 O28 U2 -","- C133.6 H187.2 Br4 N8 Na4 O56 U4 -","2","1","","Mäkelä, Toni; Minkkinen, Miia-Elina; Rissanen, Kari","Ion Pair Binding in the Solid-State with Ditopic Crown Ether Uranyl Salophen Receptors.","Inorganic chemistry","2016","55","3","1339","1346","10.1021/acs.inorgchem.5b02780","","","0.71073","MoKα","","0.0477","0.0386","","","0.0855","0.089","","","","","","1.129","","","","has coordinates,has disorder","175562","2020-10-21","18:00:00",""
"4344672","8.2027","0.0002","18.5028","0.0005","22.9036","0.0005","90","","93.01","0.001","90","","3471.35","0.15","123","2","123","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C32 H37 I N3 Na O11 U -","- C32 H37 I N3 Na O11 U -","- C128 H148 I4 N12 Na4 O44 U4 -","4","1","","Mäkelä, Toni; Minkkinen, Miia-Elina; Rissanen, Kari","Ion Pair Binding in the Solid-State with Ditopic Crown Ether Uranyl Salophen Receptors.","Inorganic chemistry","2016","55","3","1339","1346","10.1021/acs.inorgchem.5b02780","","x-ray","0.71073","MoKα","","0.0448","0.0312","","","0.0591","0.0637","","","","","","1.03","","","","has coordinates","175563","2020-10-21","18:00:00",""
"4344673","14.3212","0.0002","16.7621","0.0002","15.863","0.0002","90","","102.421","0.0013","90","","3718.84","0.08","170","","170","","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C32 H39.55 F N2 O11 Rb S1.5 U -","- C32 H39.55 F N2 O11 Rb S1.5 U -","- C128 H158.2 F4 N8 O44 Rb4 S6 U4 -","4","1","","Mäkelä, Toni; Minkkinen, Miia-Elina; Rissanen, Kari","Ion Pair Binding in the Solid-State with Ditopic Crown Ether Uranyl Salophen Receptors.","Inorganic chemistry","2016","55","3","1339","1346","10.1021/acs.inorgchem.5b02780","","","0.71073","MoKα","","0.0366","0.0316","","","0.0768","0.0793","","","","","","1.053","","","","has coordinates,has disorder","175564","2020-10-21","18:00:00",""
"4344674","16.929","0.0003","18.4658","0.0003","23.7388","0.0005","90","","101.62","0.002","90","","7268.8","0.2","170","","170","","","","","","","","","7","I 1 2/a 1","-I 2ya","15","","","","- C28 H36.5 Cl Li N2 O14.25 U -","- C28 H36.5 Cl Li N2 O14.25 U -","- C224 H292 Cl8 Li8 N16 O114 U8 -","8","1","","Mäkelä, Toni; Minkkinen, Miia-Elina; Rissanen, Kari","Ion Pair Binding in the Solid-State with Ditopic Crown Ether Uranyl Salophen Receptors.","Inorganic chemistry","2016","55","3","1339","1346","10.1021/acs.inorgchem.5b02780","","","0.71073","MoKα","","0.0343","0.0266","","","0.0639","0.0666","","","","","","1.063","","","","has coordinates,has disorder","175565","2020-10-21","18:00:00",""
"4344675","12.4425","0.0003","18.353","0.0003","14.3229","0.0004","90","","98.912","0.001","90","","3231.25","0.13","173.15","","173.15","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C30 H32 Cl K N2 O10 U -","- C30 H32 Cl K N2 O10 U -","- C120 H128 Cl4 K4 N8 O40 U4 -","4","1","","Mäkelä, Toni; Minkkinen, Miia-Elina; Rissanen, Kari","Ion Pair Binding in the Solid-State with Ditopic Crown Ether Uranyl Salophen Receptors.","Inorganic chemistry","2016","55","3","1339","1346","10.1021/acs.inorgchem.5b02780","","","0.71073","MoKα","","0.0483","0.0316","","","0.064","0.0704","","","","","","1.05","","","","has coordinates","175566","2020-10-21","18:00:00",""
"4344676","14.6788","0.0003","26.8778","0.0004","16.5218","0.0004","90","","103.995","0.002","90","","6324.9","0.2","170","","170","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C56.5 H71 N4 O25.5 U2 -","- C56.5 H71 N4 O25.5 U2 -","- C226 H284 N16 O102 U8 -","4","1","","Mäkelä, Toni; Minkkinen, Miia-Elina; Rissanen, Kari","Ion Pair Binding in the Solid-State with Ditopic Crown Ether Uranyl Salophen Receptors.","Inorganic chemistry","2016","55","3","1339","1346","10.1021/acs.inorgchem.5b02780","","","0.71073","MoKα","","0.0589","0.0396","","","0.0897","0.1003","","","","","","1.049","","","","has coordinates,has disorder","175567","2020-10-21","18:00:00",""
"4344677","10.7194","0.0003","12.3082","0.0002","16.2806","0.0005","89.4044","0.0019","88.005","0.003","82.382","0.002","2127.72","0.1","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C39 H69 Ca N3 O Si2 -","- C39 H69 Ca N3 O Si2 -","- C78 H138 Ca2 N6 O2 Si4 -","2","1","","Basalov, Ivan V.; Yurova, Olga S.; Cherkasov, Anton V.; Fukin, Georgy K.; Trifonov, Alexander A.","Amido Ln(II) Complexes Coordinated by Bi- and Tridentate Amidinate Ligands: Nonconventional Coordination Modes of Amidinate Ligands and Catalytic Activity in Intermolecular Hydrophosphination of Styrenes and Tolane.","Inorganic chemistry","2016","55","3","1236","1244","10.1021/acs.inorgchem.5b02450","","","0.71073","MoKα","","0.0749","0.0496","","","0.1288","0.1387","","","","","","1.031","","","","has coordinates","175568","2020-10-21","18:00:00",""
"4344678","18.2022","0.0013","12.1697","0.0009","16.9441","0.0013","90","","99.999","0.002","90","","3696.4","0.5","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C35 H61 N3 Si2 Sm -","- C35 H61 N3 Si2 Sm -","- C140 H244 N12 Si8 Sm4 -","4","1","","Basalov, Ivan V.; Yurova, Olga S.; Cherkasov, Anton V.; Fukin, Georgy K.; Trifonov, Alexander A.","Amido Ln(II) Complexes Coordinated by Bi- and Tridentate Amidinate Ligands: Nonconventional Coordination Modes of Amidinate Ligands and Catalytic Activity in Intermolecular Hydrophosphination of Styrenes and Tolane.","Inorganic chemistry","2016","55","3","1236","1244","10.1021/acs.inorgchem.5b02450","","","0.71073","MoKα","","0.0417","0.0324","","","0.0811","0.0844","","","","","","0.991","","","","has coordinates","175568","2020-10-21","18:00:00",""
"4344679","10.5925","0.0004","10.7876","0.0004","19.3412","0.0008","104.302","0.001","93.954","0.001","98.888","0.001","2102.57","0.14","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C41 H67 I N2 O3 Sm -","- C41.0006 H67.0014 I N2 O3 Sm -","- C82.0012 H134.003 I2 N4 O6 Sm2 -","2","1","","Basalov, Ivan V.; Yurova, Olga S.; Cherkasov, Anton V.; Fukin, Georgy K.; Trifonov, Alexander A.","Amido Ln(II) Complexes Coordinated by Bi- and Tridentate Amidinate Ligands: Nonconventional Coordination Modes of Amidinate Ligands and Catalytic Activity in Intermolecular Hydrophosphination of Styrenes and Tolane.","Inorganic chemistry","2016","55","3","1236","1244","10.1021/acs.inorgchem.5b02450","","","0.71073","MoKα","","0.0426","0.0328","","","0.0847","0.0883","","","","","","1.072","","","","has coordinates,has disorder","175568","2020-10-21","18:00:00",""
"4344680","10.8336","0.0008","12.3858","0.001","16.2401","0.0011","89.263","0.003","88.32","0.002","81.566","0.002","2154.6","0.3","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C39 H69 N3 O Si2 Yb -","- C39 H69 N3 O Si2 Yb -","- C78 H138 N6 O2 Si4 Yb2 -","2","1","","Basalov, Ivan V.; Yurova, Olga S.; Cherkasov, Anton V.; Fukin, Georgy K.; Trifonov, Alexander A.","Amido Ln(II) Complexes Coordinated by Bi- and Tridentate Amidinate Ligands: Nonconventional Coordination Modes of Amidinate Ligands and Catalytic Activity in Intermolecular Hydrophosphination of Styrenes and Tolane.","Inorganic chemistry","2016","55","3","1236","1244","10.1021/acs.inorgchem.5b02450","","","0.71073","MoKα","","0.0607","0.0391","","","0.0667","0.0704","","","","","","0.824","","","","has coordinates","175568","2020-10-21","18:00:00",""
"4344681","20.4444","0.0004","10.44","0.0002","17.8845","0.0003","90","","99.7015","0.0016","90","","3762.67","0.12","446","2","446","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C34 H59 N3 O2 Si2 Sm -","- C34 H59 N3 O2 Si2 Sm -","- C136 H236 N12 O8 Si8 Sm4 -","4","1","","Basalov, Ivan V.; Yurova, Olga S.; Cherkasov, Anton V.; Fukin, Georgy K.; Trifonov, Alexander A.","Amido Ln(II) Complexes Coordinated by Bi- and Tridentate Amidinate Ligands: Nonconventional Coordination Modes of Amidinate Ligands and Catalytic Activity in Intermolecular Hydrophosphination of Styrenes and Tolane.","Inorganic chemistry","2016","55","3","1236","1244","10.1021/acs.inorgchem.5b02450","","","0.71073","MoKα","","0.0512","0.0319","","","0.0578","0.0616","","","","","","1.014","","","","has coordinates,has disorder","175568","2020-10-21","18:00:00",""
"4344682","9.00597","0.00012","13.50046","0.00018","18.7364","0.0002","97.5611","0.001","101.462","0.0011","106.361","0.0012","2099.17","0.05","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C40 H57 N3 O P Si2 Yb -","- C40 H57 N3 O P Si2 Yb -","- C80 H114 N6 O2 P2 Si4 Yb2 -","2","1","","Basalov, Ivan V.; Yurova, Olga S.; Cherkasov, Anton V.; Fukin, Georgy K.; Trifonov, Alexander A.","Amido Ln(II) Complexes Coordinated by Bi- and Tridentate Amidinate Ligands: Nonconventional Coordination Modes of Amidinate Ligands and Catalytic Activity in Intermolecular Hydrophosphination of Styrenes and Tolane.","Inorganic chemistry","2016","55","3","1236","1244","10.1021/acs.inorgchem.5b02450","","","0.71073","MoKα","","0.0371","0.0275","","","0.057","0.0592","","","","","","1.017","","","","has coordinates,has disorder","175568","2020-10-21","18:00:00",""
"4344683","4.3218","0.0005","11.4472","0.0014","22.914","0.003","90","","90","","90","","1133.6","0.2","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C13 H11 N3 S -","- C13 H11 N3 S -","- C52 H44 N12 S4 -","4","1","","Rahaman, Sk Atiur; Roy, Biswajit; Mandal, Soumik; Bandyopadhyay, Subhajit","A Kamikaze Approach for Capturing Hg(2+) Ions through the Formation of a One-Dimensional Metal-Organometallic Polymer.","Inorganic chemistry","2016","55","3","1069","1075","10.1021/acs.inorgchem.5b02104","","","0.71073","MoKα","","0.0607","0.0531","","","0.1414","0.1462","","","","","","1.142","","","","has coordinates","175569","2020-10-21","18:00:00",""
"4344684","8.5385","0.0007","9.5227","0.0008","14.896","0.0012","89.357","0.007","76.775","0.007","85.281","0.007","1175.03","0.17","100.01","0.1","100.01","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C19 H19 Hg2 N3 O6 S -","- C19 H19 Hg2 N3 O6 S -","- C38 H38 Hg4 N6 O12 S2 -","2","1","","Rahaman, Sk Atiur; Roy, Biswajit; Mandal, Soumik; Bandyopadhyay, Subhajit","A Kamikaze Approach for Capturing Hg(2+) Ions through the Formation of a One-Dimensional Metal-Organometallic Polymer.","Inorganic chemistry","2016","55","3","1069","1075","10.1021/acs.inorgchem.5b02104","","x-ray","0.71073","MoKα","","0.1056","0.0773","","","0.1886","0.2015","","","","","","1.093","","","","has coordinates","175569","2020-10-21","18:00:00",""
"4344685","17.4852","0.0006","17.4852","0.0006","19.1052","0.0006","90","","90","","90","","5841.1","0.3","283","2","283","2","","","","","","","","5","P -4 21 c","P -4 2n","114","","","","- C108 H136 B4 Co5 N42 -","- C108 H136 B4 Co5 N42 -","- C216 H272 B8 Co10 N84 -","2","0.25","","Werner, Tamas W.; Reschke, Stephan; Bunzen, Hana; von Nidda, Hans-Albrecht Krug; Deisenhofer, Joachim; Loidl, Alois; Volkmer, Dirk","[Co5Tp*4(Me2bta)6]: A Highly Symmetrical Pentanuclear Kuratowski Complex Featuring Tris(pyrazolyl)borate and Benzotriazolate Ligands.","Inorganic chemistry","2016","55","3","1053","1060","10.1021/acs.inorgchem.5b01982","","","0.71073","MoKα","","0.0457","0.0378","","","0.0997","0.1085","","","","","","1.112","","","","has coordinates","175570","2020-10-21","18:00:00",""
"4344686","7.9351","0.001","4.8413","0.0007","16.342","0.002","90","","93.72","0.01","90","","626.47","0.14","298","0.2","298","0.2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- Al O8 Te2 V -","- Al O8 Te2 V -","- Al4 O32 Te8 V4 -","4","1","","Bae, Su-Whan; Yoo, Jisun; Lee, Suheon; Choi, Kwang Yong; Ok, Kang Min","Synthesis and Characterization of Three New Layered Vanadium Tellurites, MVTe2O8 (M = Al, Ga, and Mn): Three-Dimensional (3-D) Antiferromagnetic Behavior of MnVTe2O8 with a Zigzag S = 2 Spin Chain.","Inorganic chemistry","2016","55","3","1347","1353","10.1021/acs.inorgchem.5b02784","","x-ray","0.71073","MoKα","","0.0855","0.0389","","","0.0567","0.0657","","","","","","0.807","","","","has coordinates","175571","2020-10-21","18:00:00",""
"4344687","7.9198","0.0002","4.9169","0.0001","16.4311","0.0004","90","","93.816","0.002","90","","638.42","0.03","298","0.2","298","0.2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- Ga O8 Te2 V -","- Ga O8 Te2 V -","- Ga4 O32 Te8 V4 -","4","1","","Bae, Su-Whan; Yoo, Jisun; Lee, Suheon; Choi, Kwang Yong; Ok, Kang Min","Synthesis and Characterization of Three New Layered Vanadium Tellurites, MVTe2O8 (M = Al, Ga, and Mn): Three-Dimensional (3-D) Antiferromagnetic Behavior of MnVTe2O8 with a Zigzag S = 2 Spin Chain.","Inorganic chemistry","2016","55","3","1347","1353","10.1021/acs.inorgchem.5b02784","","x-ray","0.71073","MoKα","","0.0312","0.0242","","","0.0547","0.0564","","","","","","1.024","","","","has coordinates","175571","2020-10-21","18:00:00",""
"4344688","10.052","0.005","17.616","0.005","10.466","0.005","90","","95.319","0.005","90","","1845.3","1.4","200","2","200","2","","","","","","","synthesis as described","5","P 1 21/a 1","-P 2yab","14","","","","- C19 H20 Ag Br N2 -","- C19 H20 Ag Br N2 -","- C76 H80 Ag4 Br4 N8 -","4","1","","Ortiz, Alba M.; Sánchez-Méndez, Alberto; de Jesús, Ernesto; Flores, Juan C.; Gómez-Sal, Pilar; Mendicuti, Francisco","Poly(benzyl ether) Dendrimers Functionalized at the Core with Palladium Bis(N-Heterocyclic Carbene) Complexes as Catalysts for the Heck Coupling Reaction.","Inorganic chemistry","2016","55","3","1304","1314","10.1021/acs.inorgchem.5b02629","","x-ray","0.71069","MoKα","","0.0907","0.0435","","","0.0878","0.0991","","","","","","0.987","","","","has coordinates","276346","2022-06-28","16:25:27",""
"4344689","9.7047","0.0004","10.9618","0.0009","20.715","0.0016","90","","102.546","0.004","90","","2151.1","0.3","200","2","200","2","","","","","","","synthesis as described","5","P 1 n 1","P -2yac","7","","","","- C22 H26 Ag Br N2 -","- C22 H26 Ag Br N2 -","- C88 H104 Ag4 Br4 N8 -","4","2","","Ortiz, Alba M.; Sánchez-Méndez, Alberto; de Jesús, Ernesto; Flores, Juan C.; Gómez-Sal, Pilar; Mendicuti, Francisco","Poly(benzyl ether) Dendrimers Functionalized at the Core with Palladium Bis(N-Heterocyclic Carbene) Complexes as Catalysts for the Heck Coupling Reaction.","Inorganic chemistry","2016","55","3","1304","1314","10.1021/acs.inorgchem.5b02629","","x-ray","0.71073","MoKα","","0.0681","0.0389","","","0.0793","0.0869","","","","","","0.967","","","","has coordinates","190287","2020-10-21","18:00:00",""
"4344690","8.607","0.002","29.518","0.006","15.321","0.003","90","","122.845","0.013","90","","3270.2","1.3","200","2","200","2","","","","","","","synthesis as described","6","P 1 21/c 1","-P 2ybc","14","","","","- C36 H38 Ag Br N2 O2 -","- C36 H38 Ag Br N2 O2 -","- C144 H152 Ag4 Br4 N8 O8 -","4","1","","Ortiz, Alba M.; Sánchez-Méndez, Alberto; de Jesús, Ernesto; Flores, Juan C.; Gómez-Sal, Pilar; Mendicuti, Francisco","Poly(benzyl ether) Dendrimers Functionalized at the Core with Palladium Bis(N-Heterocyclic Carbene) Complexes as Catalysts for the Heck Coupling Reaction.","Inorganic chemistry","2016","55","3","1304","1314","10.1021/acs.inorgchem.5b02629","","x-ray","0.71073","MoKα","","0.1105","0.0597","","","0.1221","0.1471","","","","","","1.082","","","","has coordinates","175572","2020-10-21","18:00:00",""
"4344691","15.694","0.014","18.447","0.015","39.27","0.03","90","","89.46","0.07","90","","11368","16","200","2","200","2","","","","","","","synthesis as described","5","P 1 21/n 1","-P 2yn","14","","","","- C38 H40 Br2 N4 Pd -","- C38 H40 Br2 N4 Pd -","- C456 H480 Br24 N48 Pd12 -","12","3","","Ortiz, Alba M.; Sánchez-Méndez, Alberto; de Jesús, Ernesto; Flores, Juan C.; Gómez-Sal, Pilar; Mendicuti, Francisco","Poly(benzyl ether) Dendrimers Functionalized at the Core with Palladium Bis(N-Heterocyclic Carbene) Complexes as Catalysts for the Heck Coupling Reaction.","Inorganic chemistry","2016","55","3","1304","1314","10.1021/acs.inorgchem.5b02629","","x-ray","0.71073","MoKα","","0.2985","0.1479","","","0.3318","0.4288","","","","","","0.987","","","","has coordinates","175572","2020-10-21","18:00:00",""
"4344692","8.374","0.005","10.292","0.005","11.427","0.005","88.822","0.005","78.895","0.005","68.837","0.005","899.9","0.8","200","2","200","2","","","","","","","synthesis as described","5","P -1","-P 1","2","","","","- C38 H40 Br2 N4 Pd -","- C38 H40 Br2 N4 Pd -","- C38 H40 Br2 N4 Pd -","1","0.5","","Ortiz, Alba M.; Sánchez-Méndez, Alberto; de Jesús, Ernesto; Flores, Juan C.; Gómez-Sal, Pilar; Mendicuti, Francisco","Poly(benzyl ether) Dendrimers Functionalized at the Core with Palladium Bis(N-Heterocyclic Carbene) Complexes as Catalysts for the Heck Coupling Reaction.","Inorganic chemistry","2016","55","3","1304","1314","10.1021/acs.inorgchem.5b02629","","x-ray","0.71069","MoKα","","0.0658","0.0371","","","0.0794","0.0876","","","","","","0.975","","","","has coordinates","175572","2020-10-21","18:00:00",""
"4344693","11.843","0.002","12.7275","0.0018","21.447","0.004","75.544","0.01","83.173","0.013","81.698","0.012","3086","0.9","200","2","200","2","","","","","","","synthesis as described","6","P -1","-P 1","2","","","","- C72 H70 Br2 N4 O4 Pd -","- C72 H70 Br2 N4 O4 Pd -","- C144 H140 Br4 N8 O8 Pd2 -","2","1","","Ortiz, Alba M.; Sánchez-Méndez, Alberto; de Jesús, Ernesto; Flores, Juan C.; Gómez-Sal, Pilar; Mendicuti, Francisco","Poly(benzyl ether) Dendrimers Functionalized at the Core with Palladium Bis(N-Heterocyclic Carbene) Complexes as Catalysts for the Heck Coupling Reaction.","Inorganic chemistry","2016","55","3","1304","1314","10.1021/acs.inorgchem.5b02629","","x-ray","0.71073","MoKα","","0.1205","0.045","","","0.0729","0.0871","","","","","","0.884","","","","has coordinates","175572","2020-10-21","18:00:00",""
"4344694","13.0192","0.001","5.1084","0.0003","21.3364","0.0016","90","","96.936","0.004","90","","1408.64","0.17","150","2","150","2","","","","","","","synthesis as described","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H36 N4 Ni S6 -","- C22 H36 N4 Ni S6 -","- C44 H72 N8 Ni2 S12 -","2","0.5","","Mebrouk, Kenny; Camerel, Franck; Jeannin, Olivier; Heinrich, Benoit; Donnio, Bertrand; Fourmigué, Marc","High Photothermal Activity within Neutral Nickel Dithiolene Complexes Derived from Imidazolium-Based Ionic Liquids.","Inorganic chemistry","2016","55","3","1296","1303","10.1021/acs.inorgchem.5b02648","","x-ray","0.71073","MoKα","","0.0745","0.0493","","","0.128","0.1533","","","","","","1.064","","","","has coordinates","175573","2020-10-21","18:00:00",""
"4344695","38.233","0.012","18.704","0.007","25.634","0.009","90","","115.95","0.03","90","","16483","11","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C83 H99 N6 O13 P S -","- C83 H99 N6 O13 P S -","- C664 H792 N48 O104 P8 S8 -","8","1","","Gosse, Isabelle; Robeyns, Koen; Bougault, Catherine; Martinez, Alexandre; Tinant, Bernard; Dutasta, Jean-Pierre","Synthesis and Structural Studies of Gallium(III) and Iron(III) Hemicryptophane Complexes.","Inorganic chemistry","2016","55","3","1011","1013","10.1021/acs.inorgchem.5b02750","","","0.71069","MoKα","","0.0919","0.0816","","","0.2353","0.2481","","","","","","1.006","","","","has coordinates,has disorder","175574","2020-10-21","18:00:00",""
"4344696","12.05","0.005","12.144","0.005","23.02","0.009","79.22","0.02","81.96","0.02","61.53","0.02","2904","2","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C60 H66 Fe N6 O12 P S -","- C60 H66 Fe N6 O12 P S -","- C120 H132 Fe2 N12 O24 P2 S2 -","2","1","","Gosse, Isabelle; Robeyns, Koen; Bougault, Catherine; Martinez, Alexandre; Tinant, Bernard; Dutasta, Jean-Pierre","Synthesis and Structural Studies of Gallium(III) and Iron(III) Hemicryptophane Complexes.","Inorganic chemistry","2016","55","3","1011","1013","10.1021/acs.inorgchem.5b02750","","","0.71069","MoKα","","0.0828","0.0707","","","0.1935","0.2059","","","","","","1.006","","","","has coordinates","175574","2020-10-21","18:00:00",""
"4344697","12.173","0.005","12.317","0.005","23.232","0.009","79.25","0.03","78.31","0.02","60.67","0.03","2958","2","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C60 H66 Ga N6 O12 P S -","- C60 H66 Ga N6 O12 P S -","- C120 H132 Ga2 N12 O24 P2 S2 -","2","1","","Gosse, Isabelle; Robeyns, Koen; Bougault, Catherine; Martinez, Alexandre; Tinant, Bernard; Dutasta, Jean-Pierre","Synthesis and Structural Studies of Gallium(III) and Iron(III) Hemicryptophane Complexes.","Inorganic chemistry","2016","55","3","1011","1013","10.1021/acs.inorgchem.5b02750","","","0.71069","MoKα","","0.0816","0.0641","","","0.1722","0.1878","","","","","","1.025","","","","has coordinates,has disorder","175574","2020-10-21","18:00:00",""
"4344698","11.1634","0.0011","10.6776","0.0011","20.125","0.002","90","","90.08","0.002","90","","2398.9","0.4","110","2","110","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C19 H39 Cu F3 N3 O3 S -","- C19 H39 Cu F3 N3 O3 S -","- C76 H156 Cu4 F12 N12 O12 S4 -","4","1","","Karahalis, Gregory J.; Thangavel, Arumugam; Chica, Bryant; Bacsa, John; Dyer, R. Brian; Scarborough, Christopher C.","Synthesis and Catalytic Reactivity of a Dicopper(II) μ-η(2):η(2)-Peroxo Species Supported by 1,4,7-Tri-tert-butyl-1,4,7-triazacyclononane.","Inorganic chemistry","2016","55","3","1102","1107","10.1021/acs.inorgchem.5b02205","","","0.71073","MoKα","","0.0893","0.0627","","","0.1489","0.1684","","","","","","1.035","","","","has coordinates,has disorder","175576","2020-10-21","18:00:00",""
"4344699","10.9185","0.0016","10.9583","0.0016","12.4586","0.0018","70.464","0.002","65.2057","0.0019","60.4756","0.0019","1162","0.3","110","2","110","2","","","","","","","","7","P -1","-P 1","2","","","","- C38 H78 Cu2 F6 N6 O8 S2 -","- C38 H78 Cu2 F6 N6 O8 S2 -","- C38 H78 Cu2 F6 N6 O8 S2 -","1","0.5","","Karahalis, Gregory J.; Thangavel, Arumugam; Chica, Bryant; Bacsa, John; Dyer, R. Brian; Scarborough, Christopher C.","Synthesis and Catalytic Reactivity of a Dicopper(II) μ-η(2):η(2)-Peroxo Species Supported by 1,4,7-Tri-tert-butyl-1,4,7-triazacyclononane.","Inorganic chemistry","2016","55","3","1102","1107","10.1021/acs.inorgchem.5b02205","","","0.71073","MoKα","","0.0746","0.0593","","","0.1365","0.1427","","","","","","1.022","","","","has coordinates","175576","2020-10-21","18:00:00",""
"4344701","14.259","0.005","14.318","0.004","14.542","0.005","72.464","0.009","87.615","0.011","76.362","0.011","2749.7","1.6","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C27 H24 Cl2 N2 O6 Ru -","- C27 H24 Cl2 N2 O6 Ru -","- C108 H96 Cl8 N8 O24 Ru4 -","4","2","","Mondal, Prasenjit; Das, Ankita; Lahiri, Goutam Kumar","The Electron-Rich {Ru(acac)2} Directed Varying Configuration of the Deprotonated Indigo and Evidence for Its Bidirectional Noninnocence.","Inorganic chemistry","2016","55","3","1208","1218","10.1021/acs.inorgchem.5b02409","","","0.71075","MoKα","","0.0742","0.0549","","","0.1204","0.1362","","","","","","1.069","","","","has coordinates","175577","2020-10-21","18:00:00",""
"4344702","12.324","0.003","14.398","0.003","15.023","0.002","68.238","0.006","75.385","0.007","89.338","0.009","2385.6","0.8","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H23 N2 O6 Ru -","- C26 H23 N2 O6 Ru -","- C104 H92 N8 O24 Ru4 -","4","2","","Mondal, Prasenjit; Das, Ankita; Lahiri, Goutam Kumar","The Electron-Rich {Ru(acac)2} Directed Varying Configuration of the Deprotonated Indigo and Evidence for Its Bidirectional Noninnocence.","Inorganic chemistry","2016","55","3","1208","1218","10.1021/acs.inorgchem.5b02409","","","0.7107","MoKα","","0.0554","0.0441","","","0.0962","0.1031","","","","","","0.989","","","","has coordinates","175578","2020-10-21","18:00:00",""
"4344703","12.149","0.002","13.696","0.003","16.327","0.003","90","","90","","90","","2716.7","0.9","113","2","113","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C11 H10 Fe I N O5 -","- C11 H10 Fe I N O5 -","- C88 H80 Fe8 I8 N8 O40 -","8","1","","Song, Li-Cheng; Xu, Kai-Kai; Han, Xiao-Feng; Zhang, Ji-Wei","Synthetic and Structural Studies of 2-Acylmethyl-6-R-Difunctionalized Pyridine Ligand-Containing Iron Complexes Related to [Fe]-Hydrogenase.","Inorganic chemistry","2016","55","3","1258","1269","10.1021/acs.inorgchem.5b02490","","","0.71073","MoKα","","0.0386","0.0323","","","0.0647","0.0795","","","","","","1.169","","","","has coordinates","175579","2020-10-21","18:00:00",""
"4344704","9.0498","0.0017","7.2069","0.0014","21.894","0.004","90","","91.65","0.03","90","","1427.4","0.5","113","2","113","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C12 H10 Fe N2 O5 S -","- C12 H10 Fe N2 O5 S -","- C48 H40 Fe4 N8 O20 S4 -","4","1","","Song, Li-Cheng; Xu, Kai-Kai; Han, Xiao-Feng; Zhang, Ji-Wei","Synthetic and Structural Studies of 2-Acylmethyl-6-R-Difunctionalized Pyridine Ligand-Containing Iron Complexes Related to [Fe]-Hydrogenase.","Inorganic chemistry","2016","55","3","1258","1269","10.1021/acs.inorgchem.5b02490","","","0.71073","MoKα","","0.0394","0.0319","","","0.0742","0.0824","","","","","","1.075","","","","has coordinates","175579","2020-10-21","18:00:00",""
"4344705","9.0675","0.0018","10.729","0.002","16.273","0.003","76.18","0.03","85.14","0.03","89.2","0.03","1531.7","0.5","113.15","","113.15","","","","","","","","","8","P -1","-P 1","2","","","","- C30 H27 Cl2 Fe I N O5 P -","- C30 H27 Cl2 Fe I N O5 P -","- C60 H54 Cl4 Fe2 I2 N2 O10 P2 -","2","1","","Song, Li-Cheng; Xu, Kai-Kai; Han, Xiao-Feng; Zhang, Ji-Wei","Synthetic and Structural Studies of 2-Acylmethyl-6-R-Difunctionalized Pyridine Ligand-Containing Iron Complexes Related to [Fe]-Hydrogenase.","Inorganic chemistry","2016","55","3","1258","1269","10.1021/acs.inorgchem.5b02490","","","0.71073","MoKα","","0.053","0.0359","","","0.0877","0.092","","","","","","1.024","","","","has coordinates,has disorder","175579","2020-10-21","18:00:00",""
"4344706","10.514","0.003","11.132","0.003","14.619","0.005","90","","90","","90","","1711","0.9","113","2","113","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C16 H14 Fe N2 O5 S -","- C16 H14 Fe N2 O5 S -","- C64 H56 Fe4 N8 O20 S4 -","4","1","","Song, Li-Cheng; Xu, Kai-Kai; Han, Xiao-Feng; Zhang, Ji-Wei","Synthetic and Structural Studies of 2-Acylmethyl-6-R-Difunctionalized Pyridine Ligand-Containing Iron Complexes Related to [Fe]-Hydrogenase.","Inorganic chemistry","2016","55","3","1258","1269","10.1021/acs.inorgchem.5b02490","","","0.71073","MoKα","","0.0221","0.02","","","0.0399","0.0402","","","","","","1.039","","","","has coordinates","175579","2020-10-21","18:00:00",""
"4344707","9.694","0.003","16.045","0.004","18.325","0.005","90","","101.322","0.003","90","","2794.8","1.3","113","2","113","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C30 H24 Cl2 Fe N O4 P -","- C30 H22 Cl2 Fe N O4 P -","- C120 H88 Cl8 Fe4 N4 O16 P4 -","4","1","","Song, Li-Cheng; Xu, Kai-Kai; Han, Xiao-Feng; Zhang, Ji-Wei","Synthetic and Structural Studies of 2-Acylmethyl-6-R-Difunctionalized Pyridine Ligand-Containing Iron Complexes Related to [Fe]-Hydrogenase.","Inorganic chemistry","2016","55","3","1258","1269","10.1021/acs.inorgchem.5b02490","","","0.71073","MoKα","","0.037","0.0329","","","0.0865","0.0887","","","","","","1.058","","","","has coordinates,has disorder","175579","2020-10-21","18:00:00",""
"4344708","10.75","0.005","8.546","0.003","12.793","0.005","90","","96.989","0.008","90","","1166.6","0.8","113","2","113","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C12 H7 Fe N O5 -","- C12 H7 Fe N O5 -","- C48 H28 Fe4 N4 O20 -","4","1","","Song, Li-Cheng; Xu, Kai-Kai; Han, Xiao-Feng; Zhang, Ji-Wei","Synthetic and Structural Studies of 2-Acylmethyl-6-R-Difunctionalized Pyridine Ligand-Containing Iron Complexes Related to [Fe]-Hydrogenase.","Inorganic chemistry","2016","55","3","1258","1269","10.1021/acs.inorgchem.5b02490","","","0.71073","MoKα","","0.0294","0.024","","","0.0651","0.0666","","","","","","1.025","","","","has coordinates","175579","2020-10-21","18:00:00",""
"4344709","8.8635","0.0018","26.586","0.005","10.356","0.002","90","","108.507","0.002","90","","2314.1","0.8","113","2","113","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C23 H19 Cl2 Fe N O3 S2 -","- C23 H19 Cl2 Fe N O3 S2 -","- C92 H76 Cl8 Fe4 N4 O12 S8 -","4","1","","Song, Li-Cheng; Xu, Kai-Kai; Han, Xiao-Feng; Zhang, Ji-Wei","Synthetic and Structural Studies of 2-Acylmethyl-6-R-Difunctionalized Pyridine Ligand-Containing Iron Complexes Related to [Fe]-Hydrogenase.","Inorganic chemistry","2016","55","3","1258","1269","10.1021/acs.inorgchem.5b02490","","","0.71073","MoKα","","0.0334","0.0293","","","0.0712","0.073","","","","","","1.045","","","","has coordinates","175579","2020-10-21","18:00:00",""
"4344710","8.4592","0.0008","9.9099","0.001","16.1139","0.0017","78.199","0.004","88.772","0.005","71.33","0.004","1251.3","0.2","296.15","","296.15","","","","","","","","","7","P -1","-P 1","2","","","","- C23 H33 F6 O P Pt Zr -","- C23 H33 F6 O P Pt Zr -","- C46 H66 F12 O2 P2 Pt2 Zr2 -","2","1","","Chapman, Andy M.; Flynn, Stephanie R.; Wass, Duncan F.","Unexpected Formation of Early Late Heterobimetallic Complexes from Transition Metal Frustrated Lewis Pairs.","Inorganic chemistry","2016","55","3","1017","1021","10.1021/acs.inorgchem.5b01424","","","0.71073","MoKα","","0.0346","0.0342","","","0.0781","0.0782","","","","","","1.381","","","","has coordinates,has disorder","175580","2020-10-21","18:00:00",""
"4344711","10.317","0.005","12.086","0.005","12.301","0.005","76.576","0.005","83.789","0.005","67.032","0.005","1373.4","1","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","","","- C36 H38 Cl4 Co2 N8 O18 -","- C36 H38 Cl4 Co2 N8 O18 -","- C36 H38 Cl4 Co2 N8 O18 -","1","0.5","","Ishizuka, Tomoya; Watanabe, Atsuko; Kotani, Hiroaki; Hong, Dachao; Satonaka, Kenta; Wada, Tohru; Shiota, Yoshihito; Yoshizawa, Kazunari; Ohara, Kazuaki; Yamaguchi, Kentaro; Kato, Satoshi; Fukuzumi, Shunichi; Kojima, Takahiko","Homogeneous Photocatalytic Water Oxidation with a Dinuclear Co(III)-Pyridylmethylamine Complex.","Inorganic chemistry","2016","55","3","1154","1164","10.1021/acs.inorgchem.5b02336","","","0.71069","MoKα","","0.0972","0.0619","","","0.1557","0.1704","","","","","","1.025","","","","has coordinates,has disorder","175581","2020-10-21","18:00:00",""
"4344712","10.709","0.003","13.59","0.003","11.786","0.003","90","","92.665","0.003","90","","1713.4","0.8","150","2","150","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C16 Al Cl12 F24 Li O4 -","- C16 Al Cl12 F24 Li O4 -","- C32 Al2 Cl24 F48 Li2 O8 -","2","1","","Zheng, Xin; Zhang, Zaichao; Tan, Gengwen; Wang, Xinping","An Aliphatic Solvent-Soluble Lithium Salt of the Perhalogenated Weakly Coordinating Anion [Al(OC(CCl3)(CF3)2)4](.).","Inorganic chemistry","2016","55","3","1008","1010","10.1021/acs.inorgchem.5b02674","","","0.71073","MoKα","","0.0764","0.0656","","","0.1998","0.2294","","","","","","1.112","","","","has coordinates","175582","2020-10-21","18:00:00",""
"4344713","9.988","0.003","13.495","0.004","21.085","0.007","90","","90","","90","","2842","1.5","123","2","123","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C16 Al F36 Li O4 -","- C16 Al F36 Li O4 -","- C64 Al4 F144 Li4 O16 -","4","1","","Zheng, Xin; Zhang, Zaichao; Tan, Gengwen; Wang, Xinping","An Aliphatic Solvent-Soluble Lithium Salt of the Perhalogenated Weakly Coordinating Anion [Al(OC(CCl3)(CF3)2)4](.).","Inorganic chemistry","2016","55","3","1008","1010","10.1021/acs.inorgchem.5b02674","","","0.71073","MoKα","","0.1311","0.0757","","","0.1952","0.2225","","","","","","1.055","","","","has coordinates,has disorder","175582","2020-10-21","18:00:00",""
"4344714","12.1349","0.0016","12.8478","0.0017","16.5531","0.0012","91.786","0.002","92.263","0.003","108.141","0.002","2448","0.5","123","2","123","2","","","","","","","","6","P -1","-P 1","2","","","","- C35 H15 Al Cl12 F24 O4 -","- C35 H15 Al Cl12 F24 O4 -","- C70 H30 Al2 Cl24 F48 O8 -","2","1","","Zheng, Xin; Zhang, Zaichao; Tan, Gengwen; Wang, Xinping","An Aliphatic Solvent-Soluble Lithium Salt of the Perhalogenated Weakly Coordinating Anion [Al(OC(CCl3)(CF3)2)4](.).","Inorganic chemistry","2016","55","3","1008","1010","10.1021/acs.inorgchem.5b02674","","","0.71073","MoKα","","0.0595","0.0547","","","0.143","0.1448","","","","","","1.022","","","","has coordinates","175582","2020-10-21","18:00:00",""
"4344715","9.75757","0.00009","15.62094","0.00014","11.92282","0.00011","90","","91.8964","0.0008","90","","1816.31","0.03","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C19 H17 N2 O4 S V -","- C19 H17 N2 O4 S V -","- C76 H68 N8 O16 S4 V4 -","4","1","","Dash, Subhashree P.; Majumder, Sudarshana; Banerjee, Atanu; Carvalho, M Fernanda N N; Adão, Pedro; Pessoa, João Costa; Brzezinski, Krzysztof; Garribba, Eugenio; Reuter, Hans; Dinda, Rupam","Chemistry of Monomeric and Dinuclear Non-Oxido Vanadium(IV) and Oxidovanadium(V) Aroylazine Complexes: Exploring Solution Behavior.","Inorganic chemistry","2016","55","3","1165","1182","10.1021/acs.inorgchem.5b02346","","","0.71073","MoKα","","0.0416","0.0313","","","0.0826","0.0913","","","","","","1.111","","","","has coordinates,has disorder","288505","2023-12-22","15:12:02",""
"4344716","11.8182","0.0001","19.0878","0.0002","16.5463","0.0002","90","","97.829","0.001","90","","3697.78","0.07","406","2","406","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C47.63 H34.63 Cl0.74 N4.63 O4 V -","- C47.63 H34.63 Cl0.74 N4.63 O4 V -","- C190.52 H138.52 Cl2.96 N18.52 O16 V4 -","4","1","","Dash, Subhashree P.; Majumder, Sudarshana; Banerjee, Atanu; Carvalho, M Fernanda N N; Adão, Pedro; Pessoa, João Costa; Brzezinski, Krzysztof; Garribba, Eugenio; Reuter, Hans; Dinda, Rupam","Chemistry of Monomeric and Dinuclear Non-Oxido Vanadium(IV) and Oxidovanadium(V) Aroylazine Complexes: Exploring Solution Behavior.","Inorganic chemistry","2016","55","3","1165","1182","10.1021/acs.inorgchem.5b02346","","","0.71073","MoKα","","0.0463","0.0363","","","0.0863","0.0933","","","","","","1.034","","","","has coordinates,has disorder","175584","2020-10-21","18:00:00",""
"4344717","13.03105","0.00009","23.24945","0.00014","10.37682","0.00009","90","","104.295","0.0008","90","","3046.48","0.04","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C34 H24 N4 O4 S2 V -","- C34 H24 N4 O4 S2 V -","- C136 H96 N16 O16 S8 V4 -","4","1","","Dash, Subhashree P.; Majumder, Sudarshana; Banerjee, Atanu; Carvalho, M Fernanda N N; Adão, Pedro; Pessoa, João Costa; Brzezinski, Krzysztof; Garribba, Eugenio; Reuter, Hans; Dinda, Rupam","Chemistry of Monomeric and Dinuclear Non-Oxido Vanadium(IV) and Oxidovanadium(V) Aroylazine Complexes: Exploring Solution Behavior.","Inorganic chemistry","2016","55","3","1165","1182","10.1021/acs.inorgchem.5b02346","","","1.54184","CuKα","","0.0354","0.0336","","","0.0929","0.0952","","","","","","1.05","","","","has coordinates,has disorder","288505","2023-12-22","15:12:02",""
"4344718","8.345","0.0006","10.1037","0.0007","10.5931","0.0007","79.973","0.003","81.273","0.002","78.461","0.002","855.39","0.1","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C19 H17 N2 O5 V -","- C19 H17 N2 O5 V -","- C38 H34 N4 O10 V2 -","2","1","","Dash, Subhashree P.; Majumder, Sudarshana; Banerjee, Atanu; Carvalho, M Fernanda N N; Adão, Pedro; Pessoa, João Costa; Brzezinski, Krzysztof; Garribba, Eugenio; Reuter, Hans; Dinda, Rupam","Chemistry of Monomeric and Dinuclear Non-Oxido Vanadium(IV) and Oxidovanadium(V) Aroylazine Complexes: Exploring Solution Behavior.","Inorganic chemistry","2016","55","3","1165","1182","10.1021/acs.inorgchem.5b02346","","","0.71073","MoKα","","0.0335","0.0302","","","0.0791","0.0815","","","","","","1.045","","","","has coordinates","175587","2020-10-21","18:00:00",""
"4344719","6.06519","0.00007","17.9476","0.0003","21.00558","0.00019","69.4104","0.0011","89.5791","0.0008","88.6613","0.001","2139.93","0.05","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C25 H21 N2 O5 V -","- C25 H21 N2 O5 V -","- C100 H84 N8 O20 V4 -","4","2","","Dash, Subhashree P.; Majumder, Sudarshana; Banerjee, Atanu; Carvalho, M Fernanda N N; Adão, Pedro; Pessoa, João Costa; Brzezinski, Krzysztof; Garribba, Eugenio; Reuter, Hans; Dinda, Rupam","Chemistry of Monomeric and Dinuclear Non-Oxido Vanadium(IV) and Oxidovanadium(V) Aroylazine Complexes: Exploring Solution Behavior.","Inorganic chemistry","2016","55","3","1165","1182","10.1021/acs.inorgchem.5b02346","","","1.54184","CuKα","","0.0664","0.0645","","","0.1831","0.1845","","","","","","1.1","","","","has coordinates","288505","2023-12-22","15:12:02",""
"4344720","10.39154","0.00019","12.21149","0.00018","13.8273","0.0002","99.9444","0.0013","108.614","0.0016","103.007","0.0014","1562.34","0.05","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C34.5 H25 Cl N4 O9 V2 -","- C34.5 H25 Cl N4 O9 V2 -","- C69 H50 Cl2 N8 O18 V4 -","2","1","","Dash, Subhashree P.; Majumder, Sudarshana; Banerjee, Atanu; Carvalho, M Fernanda N N; Adão, Pedro; Pessoa, João Costa; Brzezinski, Krzysztof; Garribba, Eugenio; Reuter, Hans; Dinda, Rupam","Chemistry of Monomeric and Dinuclear Non-Oxido Vanadium(IV) and Oxidovanadium(V) Aroylazine Complexes: Exploring Solution Behavior.","Inorganic chemistry","2016","55","3","1165","1182","10.1021/acs.inorgchem.5b02346","","","1.54184","CuKα","","0.0455","0.0452","","","0.1181","0.1185","","","","","","1.058","","","","has coordinates,has disorder","288505","2023-12-22","15:12:02",""
"4344721","11.99","0.0005","11.99","0.0005","50.012","0.004","90","","90","","120","","6226.5","0.6","293","2","293","2","","","","","","","","4","R -3 m :H","-R 3 2""","166","","","","- Cl6 Cs39 Ga53 Se96 -","- Cl6 Cs39 Ga52.92 Se96 -","- Cl6 Cs39 Ga52.92 Se96 -","1","0.0277778","","Lin, Hua; Chen, Hong; Lin, Zi-Xiong; Zhao, Hua-Jun; Liu, Peng-Fei; Yu, Ju-Song; Chen, Ling","(Cs6Cl)6Cs3[Ga53Se96]: A Unique Long Period-Stacking Structure of Layers Made from Ga2Se6 Dimers via Cis or Trans Intralayer Linking.","Inorganic chemistry","2016","55","3","1014","1016","10.1021/acs.inorgchem.5b02846","","","0.71073","MoKα","","0.0504","0.0412","","","0.0924","0.0964","","","","","","1.057","","","","has coordinates","175590","2020-10-21","18:00:00",""
"4344722","22.408","0.0004","12.0454","0.0003","37.5938","0.0007","90","","90","","90","","10147.1","0.4","150","2","150","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C47 H64 N8 O2 Ti -","- C47 H64 N8 O2 Ti -","- C376 H512 N64 O16 Ti8 -","8","2","","Naktode, Kishor; Das, Suman; Bhattacharjee, Jayeeta; Nayek, Hari Pada; Panda, Tarun K.","Imidazolin-2-iminato Ligand-Supported Titanium Complexes as Catalysts for the Synthesis of Urea Derivatives.","Inorganic chemistry","2016","55","3","1142","1153","10.1021/acs.inorgchem.5b02302","","","0.71073","MoKα","","0.0681","0.0576","","","0.1664","0.1762","","","","","","1.072","","","","has coordinates","175591","2020-10-21","18:00:00",""
"4344723","11.3225","0.0005","14.4568","0.0007","18.1231","0.0012","90","","90","","90","","2966.5","0.3","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C24 H52 N8 Ti -","- C24 H52 N8 Ti -","- C96 H208 N32 Ti4 -","4","1","","Naktode, Kishor; Das, Suman; Bhattacharjee, Jayeeta; Nayek, Hari Pada; Panda, Tarun K.","Imidazolin-2-iminato Ligand-Supported Titanium Complexes as Catalysts for the Synthesis of Urea Derivatives.","Inorganic chemistry","2016","55","3","1142","1153","10.1021/acs.inorgchem.5b02302","","","1.54184","CuKα","","0.0792","0.0567","","","0.145","0.1564","","","","","","1.074","","","","has coordinates","175592","2020-10-21","18:00:00",""
"4344724","13.6316","0.0003","7.9757","0.0003","26.6771","0.0008","90","","95.854","0.002","90","","2885.25","0.15","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C27 H42 N6 Ti -","- C27 H42 N6 Ti -","- C108 H168 N24 Ti4 -","4","1","","Naktode, Kishor; Das, Suman; Bhattacharjee, Jayeeta; Nayek, Hari Pada; Panda, Tarun K.","Imidazolin-2-iminato Ligand-Supported Titanium Complexes as Catalysts for the Synthesis of Urea Derivatives.","Inorganic chemistry","2016","55","3","1142","1153","10.1021/acs.inorgchem.5b02302","","","1.54184","CuKα","","0.0445","0.0411","","","0.1161","0.1201","","","","","","1.043","","","","has coordinates","175593","2020-10-21","18:00:00",""
"4344725","13.4653","0.001","22.6102","0.0009","21.032","0.0019","90","","112.722","0.007","90","","5906.3","0.8","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C61 H77 N9 S3 Ti -","- C61 H77 N9 S3 Ti -","- C244 H308 N36 S12 Ti4 -","4","1","","Naktode, Kishor; Das, Suman; Bhattacharjee, Jayeeta; Nayek, Hari Pada; Panda, Tarun K.","Imidazolin-2-iminato Ligand-Supported Titanium Complexes as Catalysts for the Synthesis of Urea Derivatives.","Inorganic chemistry","2016","55","3","1142","1153","10.1021/acs.inorgchem.5b02302","","","0.71073","MoKα","","0.0817","0.0559","","","0.1235","0.1376","","","","","","1.031","","","","has coordinates","175594","2020-10-21","18:00:00",""
"4344726","21.7362","0.0014","15.8393","0.0007","19.1596","0.0012","90","","120.972","0.009","90","","5655.9","0.8","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C45 H97 N15 Ti2 -","- C45 H97 N15 Ti2 -","- C180 H388 N60 Ti8 -","4","0.5","","Naktode, Kishor; Das, Suman; Bhattacharjee, Jayeeta; Nayek, Hari Pada; Panda, Tarun K.","Imidazolin-2-iminato Ligand-Supported Titanium Complexes as Catalysts for the Synthesis of Urea Derivatives.","Inorganic chemistry","2016","55","3","1142","1153","10.1021/acs.inorgchem.5b02302","","","1.54184","CuKα","","0.0502","0.0446","","","0.1237","0.1307","","","","","","1.058","","","","has coordinates","175595","2020-10-21","18:00:00",""
"4344727","16.4234","0.001","9.6163","0.0003","21.2742","0.0007","90","","92.015","0.004","90","","3357.8","0.3","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C30 H60 N8 Ti -","- C30 H60 N8 Ti -","- C120 H240 N32 Ti4 -","4","1","","Naktode, Kishor; Das, Suman; Bhattacharjee, Jayeeta; Nayek, Hari Pada; Panda, Tarun K.","Imidazolin-2-iminato Ligand-Supported Titanium Complexes as Catalysts for the Synthesis of Urea Derivatives.","Inorganic chemistry","2016","55","3","1142","1153","10.1021/acs.inorgchem.5b02302","","","1.54184","CuKα","","0.0447","0.0378","","","0.0977","0.1028","","","","","","1.033","","","","has coordinates","175596","2020-10-21","18:00:00",""
"4344728","10.5414","0.0003","17.2721","0.0003","23.9532","0.0005","90","","104.726","0.002","90","","4217.95","0.17","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C40 H68 N8 Ti -","- C40 H68 N8 Ti -","- C160 H272 N32 Ti4 -","4","1","","Naktode, Kishor; Das, Suman; Bhattacharjee, Jayeeta; Nayek, Hari Pada; Panda, Tarun K.","Imidazolin-2-iminato Ligand-Supported Titanium Complexes as Catalysts for the Synthesis of Urea Derivatives.","Inorganic chemistry","2016","55","3","1142","1153","10.1021/acs.inorgchem.5b02302","","","0.71073","MoKα","","0.0691","0.0474","","","0.1067","0.117","","","","","","1.06","","","","has coordinates","175597","2020-10-21","18:00:00",""
"4344729","8.9497","0.0004","11.1431","0.0006","19.1705","0.0009","89.6","0.004","85.093","0.004","67.378","0.005","1757.57","0.16","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C33 H54 N6 Ti -","- C33 H54 N6 Ti -","- C66 H108 N12 Ti2 -","2","1","","Naktode, Kishor; Das, Suman; Bhattacharjee, Jayeeta; Nayek, Hari Pada; Panda, Tarun K.","Imidazolin-2-iminato Ligand-Supported Titanium Complexes as Catalysts for the Synthesis of Urea Derivatives.","Inorganic chemistry","2016","55","3","1142","1153","10.1021/acs.inorgchem.5b02302","","","1.54184","CuKα","","0.0478","0.0428","","","0.1166","0.1217","","","","","","1.053","","","","has coordinates","175598","2020-10-21","18:00:00",""
"4344730","12.5727","0.0005","13.7458","0.0006","17.1032","0.0007","82.253","0.004","77.846","0.004","86.308","0.004","2861.2","0.2","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C64 H80 N8 Ti -","- C64 H80 N8 Ti -","- C128 H160 N16 Ti2 -","2","1","","Naktode, Kishor; Das, Suman; Bhattacharjee, Jayeeta; Nayek, Hari Pada; Panda, Tarun K.","Imidazolin-2-iminato Ligand-Supported Titanium Complexes as Catalysts for the Synthesis of Urea Derivatives.","Inorganic chemistry","2016","55","3","1142","1153","10.1021/acs.inorgchem.5b02302","","","0.71073","MoKα","","0.0783","0.0615","","","0.1557","0.1687","","","","","","1.072","","","","has coordinates","175599","2020-10-21","18:00:00",""
"4344731","31.1772","0.001","13.33897","0.00012","17.8988","0.0006","90","","131.633","0.005","90","","5563.5","0.5","104.4","0.14","104.4","0.14","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C53 H57 Br4 Fe2 N6 P3 -","- C53 H57 Br4 Fe2 N6 P3 -","- C212 H228 Br16 Fe8 N24 P12 -","4","1","","Petuker, Anette; Merz, Klaus; Merten, Christian; Apfel, Ulf-Peter","Controlled Flexible Coordination in Tripodal Iron(II) Phosphane Complexes: Effects on Reactivity.","Inorganic chemistry","2016","55","3","1183","1191","10.1021/acs.inorgchem.5b02361","","x-ray","1.54184","CuKα","","0.0346","0.0333","","","0.0859","0.0869","","","","","","1.026","","","","has coordinates","175600","2020-10-21","18:00:00",""
"4344732","9.4197","0.0003","9.4229","0.0003","12.7283","0.0003","110.289","0.003","93.258","0.002","112.426","0.003","955.95","0.06","104.7","1","104.7","1","","","","","","","","6","P 1","P 1","1","","","","- C40 H39 Br2 Fe P3 Si -","- C40 H39 Br2 Fe P3 Si -","- C40 H39 Br2 Fe P3 Si -","1","1","","Petuker, Anette; Merz, Klaus; Merten, Christian; Apfel, Ulf-Peter","Controlled Flexible Coordination in Tripodal Iron(II) Phosphane Complexes: Effects on Reactivity.","Inorganic chemistry","2016","55","3","1183","1191","10.1021/acs.inorgchem.5b02361","","x-ray","1.54184","CuKα","","0.0199","0.0195","","","0.0539","0.0539","","","","","","1.074","","","","has coordinates","175601","2020-10-21","18:00:00",""
"4344733","9.286","0.01","9.318","0.01","12.642","0.013","94.8155","0.0018","109.849","0.008","110.022","0.014","941.6","1.7","293","","293","","","","","","","","","5","P 1","P 1","1","","","","- C41 H39 Cl2 Fe P3 -","- C41 H39 Cl2 Fe P3 -","- C41 H39 Cl2 Fe P3 -","1","1","","Petuker, Anette; Merz, Klaus; Merten, Christian; Apfel, Ulf-Peter","Controlled Flexible Coordination in Tripodal Iron(II) Phosphane Complexes: Effects on Reactivity.","Inorganic chemistry","2016","55","3","1183","1191","10.1021/acs.inorgchem.5b02361","","","0.710747","MoKα","","0.0436","0.0374","","","0.0807","0.0858","","","","","","0.8984","","","","has coordinates","278046","2022-09-21","15:45:41",""
"4344734","13.352","0.007","18.685","0.01","19.802","0.01","90","","90.679","0.008","90","","4940","4","293","","293","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C49 H51 B2 F8 Fe N4 P3 -","- C49 H51 B2 F8 Fe N4 P3 -","- C196 H204 B8 F32 Fe4 N16 P12 -","4","1","","Petuker, Anette; Merz, Klaus; Merten, Christian; Apfel, Ulf-Peter","Controlled Flexible Coordination in Tripodal Iron(II) Phosphane Complexes: Effects on Reactivity.","Inorganic chemistry","2016","55","3","1183","1191","10.1021/acs.inorgchem.5b02361","","","0.710747","MoKα","","0.0691","0.0526","","","0.141","0.157","","","","","","1.0432","","","","has coordinates","206162","2020-10-21","18:00:00",""
"4344735","13.1059","0.0011","15.7016","0.0009","26.135","0.002","90","","102.265","0.004","90","","5255.4","0.7","173","2","173","2","","","","","","","","9","P 1 21/c 1","-P 2ybc","14","","","","- C50 H56 B2 F8 Fe N3 O P3 Si -","- C50 H56 B2 F8 Fe N3 O P3 Si -","- C200 H224 B8 F32 Fe4 N12 O4 P12 Si4 -","4","1","","Petuker, Anette; Merz, Klaus; Merten, Christian; Apfel, Ulf-Peter","Controlled Flexible Coordination in Tripodal Iron(II) Phosphane Complexes: Effects on Reactivity.","Inorganic chemistry","2016","55","3","1183","1191","10.1021/acs.inorgchem.5b02361","","","0.71075","MoKα","","0.0898","0.0617","","","0.1466","0.1697","","","","","","1.025","","","","has coordinates,has disorder","175604","2020-10-21","18:00:00",""
"4344736","13.1885","0.001","14.8199","0.0012","28.7052","0.0019","90","","89.866","0.004","90","","5610.5","0.7","293","","293","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C51 H54 Cl6 Fe3 N5 P3 -","- C51 H54 Cl6 Fe3 N5 P3 -","- C204 H216 Cl24 Fe12 N20 P12 -","4","1","","Petuker, Anette; Merz, Klaus; Merten, Christian; Apfel, Ulf-Peter","Controlled Flexible Coordination in Tripodal Iron(II) Phosphane Complexes: Effects on Reactivity.","Inorganic chemistry","2016","55","3","1183","1191","10.1021/acs.inorgchem.5b02361","","","0.710747","MoKα","","0.0585","0.0444","","","0.1179","0.1327","","","","","","1.0328","","","","has coordinates,has disorder","175605","2020-10-21","18:00:00",""
"4344737","9.341","0.007","9.463","0.007","12.799","0.009","93.56","0.008","109.985","0.007","112.137","0.0011","960.9","1.2","293","","293","","","","","","","","","6","P 1","P 1","1","","","","- C40 H39 Cl2 Fe P3 Si -","- C40 H39 Cl2 Fe P3 Si -","- C40 H39 Cl2 Fe P3 Si -","1","1","","Petuker, Anette; Merz, Klaus; Merten, Christian; Apfel, Ulf-Peter","Controlled Flexible Coordination in Tripodal Iron(II) Phosphane Complexes: Effects on Reactivity.","Inorganic chemistry","2016","55","3","1183","1191","10.1021/acs.inorgchem.5b02361","","","0.710747","MoKα","","0.0354","0.0326","","","0.0643","0.0656","","","","","","0.9599","","","","has coordinates","278046","2022-09-21","15:45:41",""
"4344738","13.3451","0.0004","23.7349","0.0007","13.1709","0.0004","90","","90","","90","","4171.8","0.2","129.9","0.3","129.9","0.3","","","","","","","","6","I b a m","-I 2 2c","72","","","","- C38 H30 Dy2 N6 Ni O20 -","- C38 H26 Dy2 N6 Ni O20 -","- C152 H104 Dy8 N24 Ni4 O80 -","4","0.25","","Zhang, Shaowei; Li, Han; Duan, Eryue; Han, Zongsu; Li, Leilei; Tang, Jinkui; Shi, Wei; Cheng, Peng","A 3D Heterometallic Coordination Polymer Constructed by Trimeric {NiDy2} Single-Molecule Magnet Units.","Inorganic chemistry","2016","55","3","1202","1207","10.1021/acs.inorgchem.5b02378","","","0.71073","MoKα","","0.0597","0.0519","","","0.1151","0.1192","","","","","","1.138","","","","has coordinates,has disorder","175607","2020-10-21","18:00:00",""
"4344739","11.85114","0.00017","3.85076","0.00004","33.0722","0.0006","90","","90","","90","","1509.28","0.04","293","","293","","","","","","","","","4","I m m m","-I 2 2","71","","","","- Bi10 Fe6 O38 Ti7 -","- Bi10 Fe5.9999 O38 Ti7.0001 -","- Bi20 Fe11.9998 O76 Ti14.0002 -","2","0.125","","Batuk, Dmitry; Tsirlin, Alexander A.; Filimonov, Dmitry S.; Zakharov, Konstantin V.; Volkova, Olga S.; Vasiliev, Alexander; Hadermann, Joke; Abakumov, Artem M.","Bi3n+1Ti7Fe3n-3O9n+11 Homologous Series: Slicing Perovskite Structure with Planar Interfaces Containing Anatase-like Chains.","Inorganic chemistry","2016","55","3","1245","1257","10.1021/acs.inorgchem.5b02465","powder diffraction","neutron","1.8857","","","0.0635","0.0631","","0.0807","0.0807","","","","3.61","","","","","","","has coordinates","288070","2023-12-06","12:54:54",""
"4344740","11.851","0.0002","3.85076","0.00005","33.0704","0.0007","90","","90","","90","","1509.18","0.05","293","","293","","","","","","","","","4","I m m m","-I 2 2","71","","","","- Bi10 Fe6 O38 Ti7 -","- Bi10 Fe5.9999 O38 Ti7.0001 -","- Bi20 Fe11.9998 O76 Ti14.0002 -","2","0.125","","Batuk, Dmitry; Tsirlin, Alexander A.; Filimonov, Dmitry S.; Zakharov, Konstantin V.; Volkova, Olga S.; Vasiliev, Alexander; Hadermann, Joke; Abakumov, Artem M.","Bi3n+1Ti7Fe3n-3O9n+11 Homologous Series: Slicing Perovskite Structure with Planar Interfaces Containing Anatase-like Chains.","Inorganic chemistry","2016","55","3","1245","1257","10.1021/acs.inorgchem.5b02465","powder diffraction","neutron","1.8857","","","0.0437","0.0435","","0.057","0.057","","","","2.8","","","","","","","has coordinates","288070","2023-12-06","12:55:14",""
"4344741","5.10143","0.00005","5.10143","","5.39643","0.00006","90","","90","","120","","121.624","0.0018","296","2","296","2","","","","","","","","4","P -6 2 m","P -6 -2","189","PbMnTeO6","","","- Mn O6 Pb Te -","- Mn O6 Pb Te -","- Mn O6 Pb Te -","1","0.0833333","","Kim, Sun Woo; Deng, Zheng; Li, Man-Rong; Sen Gupta, Arnab; Akamatsu, Hirofumi; Gopalan, Venkatraman; Greenblatt, Martha","PbMn(IV)TeO6: A New Noncentrosymmetric Layered Honeycomb Magnetic Oxide.","Inorganic chemistry","2016","55","3","1333","1338","10.1021/acs.inorgchem.5b02677","powder diffraction","x-ray","1.5405","CuKα~1~","","","","","","","","0.01892","","1.21","","","","","","","has coordinates","175609","2020-10-21","18:00:00",""
"4344742","15.1675","0.0009","15.1675","0.0009","11.9197","0.0015","90","","90","","90","","2742.2","0.4","293","2","293","2","","","","","","","","5","I 41 2 2","I 4bw 2bw","98","MFM-300 (Ga2) Original","","","- C20.65 H18.85 Ga2 N1.55 O15.55 -","- C20.656 H18.864 Ga2 N1.56 O15.56 -","- C82.624 H75.456 Ga8 N6.24 O62.24 -","4","0.25","","Krap, Cristina P.; Newby, Ruth; Dhakshinamoorthy, Amarajothi; García, Hermenegildo; Cebula, Izabela; Easun, Timothy L.; Savage, Mathew; Eyley, Jennifer E.; Gao, Shan; Blake, Alexander J.; Lewis, William; Beton, Peter H.; Warren, Mark R.; Allan, David R.; Frogley, Mark D.; Tang, Chiu C.; Cinque, Gianfelice; Yang, Sihai; Schröder, Martin","Enhancement of CO2 Adsorption and Catalytic Properties by Fe-Doping of [Ga2(OH)2(L)] (H4L = Biphenyl-3,3',5,5'-tetracarboxylic Acid), MFM-300(Ga2).","Inorganic chemistry","2016","55","3","1076","1088","10.1021/acs.inorgchem.5b02108","","","0.6889","synchrotron","","0.0533","0.0462","","","0.1104","0.1159","","","","","","1.059","","","","has coordinates,has disorder","175610","2020-10-21","18:00:00",""
"4344743","15.0174","0.0007","15.0174","0.0007","11.9111","0.0011","90","","90","","90","","2686.2","0.3","293","2","293","2","","","","","","","","4","I 41 2 2","I 4bw 2bw","98","MFM-300 (Ga2) Desolvated","","","- C16 H8 Ga2 O10 -","- C16 H8 Ga2 O10 -","- C64 H32 Ga8 O40 -","4","0.25","","Krap, Cristina P.; Newby, Ruth; Dhakshinamoorthy, Amarajothi; García, Hermenegildo; Cebula, Izabela; Easun, Timothy L.; Savage, Mathew; Eyley, Jennifer E.; Gao, Shan; Blake, Alexander J.; Lewis, William; Beton, Peter H.; Warren, Mark R.; Allan, David R.; Frogley, Mark D.; Tang, Chiu C.; Cinque, Gianfelice; Yang, Sihai; Schröder, Martin","Enhancement of CO2 Adsorption and Catalytic Properties by Fe-Doping of [Ga2(OH)2(L)] (H4L = Biphenyl-3,3',5,5'-tetracarboxylic Acid), MFM-300(Ga2).","Inorganic chemistry","2016","55","3","1076","1088","10.1021/acs.inorgchem.5b02108","","","0.6889","synchrotron","","0.0481","0.038","","","0.0968","0.1027","","","","","","1.084","","","","has coordinates","175610","2020-10-21","18:00:00",""
"4344744","15.0535","0.0006","15.0535","0.0006","11.8737","0.001","90","","90","","90","","2690.7","0.3","195","2","195","2","","","","","","","","4","I 41 2 2","I 4bw 2bw","98","MFM-300 (Ga2) 2.21CO2","","","- C18.21 H8 Ga2 O14.43 -","- C18.212 H8 Ga2 O14.424 -","- C72.848 H32 Ga8 O57.696 -","4","0.25","","Krap, Cristina P.; Newby, Ruth; Dhakshinamoorthy, Amarajothi; García, Hermenegildo; Cebula, Izabela; Easun, Timothy L.; Savage, Mathew; Eyley, Jennifer E.; Gao, Shan; Blake, Alexander J.; Lewis, William; Beton, Peter H.; Warren, Mark R.; Allan, David R.; Frogley, Mark D.; Tang, Chiu C.; Cinque, Gianfelice; Yang, Sihai; Schröder, Martin","Enhancement of CO2 Adsorption and Catalytic Properties by Fe-Doping of [Ga2(OH)2(L)] (H4L = Biphenyl-3,3',5,5'-tetracarboxylic Acid), MFM-300(Ga2).","Inorganic chemistry","2016","55","3","1076","1088","10.1021/acs.inorgchem.5b02108","","","0.6889","synchrotron","","0.0705","0.0571","","","0.1541","0.1673","","","","","","1.114","","","","has coordinates","175610","2020-10-21","18:00:00",""
"4344745","14.932","0.009","14.932","0.009","11.956","0.01","90","","90","","90","","2666","3","293","2","293","2","","","","","","","","5","I 41 2 2","I 4bw 2bw","98","MFM-300 (Ga1.9Fe0.1) Original","","","- C16 H8 Fe0.1 Ga1.9 O13.15 -","- C16 H8 Fe0.1 Ga1.9 O13.18 -","- C64 H32 Fe0.4 Ga7.6 O52.72 -","4","0.25","","Krap, Cristina P.; Newby, Ruth; Dhakshinamoorthy, Amarajothi; García, Hermenegildo; Cebula, Izabela; Easun, Timothy L.; Savage, Mathew; Eyley, Jennifer E.; Gao, Shan; Blake, Alexander J.; Lewis, William; Beton, Peter H.; Warren, Mark R.; Allan, David R.; Frogley, Mark D.; Tang, Chiu C.; Cinque, Gianfelice; Yang, Sihai; Schröder, Martin","Enhancement of CO2 Adsorption and Catalytic Properties by Fe-Doping of [Ga2(OH)2(L)] (H4L = Biphenyl-3,3',5,5'-tetracarboxylic Acid), MFM-300(Ga2).","Inorganic chemistry","2016","55","3","1076","1088","10.1021/acs.inorgchem.5b02108","","","0.6889","synchrotron","","0.0373","0.0356","","","0.0928","0.0942","","","","","","1.084","","","","has coordinates,has disorder","175610","2020-10-21","18:00:00",""
"4344746","14.896","0.006","14.896","0.006","11.939","0.007","90","","90","","90","","2649","2","373","2","373.15","","","","","","","","","5","I 41 2 2","I 4bw 2bw","98","MFM-300 (Ga1.9Fe0.1) Desolvated","","","- C16 H8 Fe0.1 Ga1.9 O10 -","- C16 H8 Fe0.1 Ga1.9 O10 -","- C64 H32 Fe0.4 Ga7.6 O40 -","4","0.25","","Krap, Cristina P.; Newby, Ruth; Dhakshinamoorthy, Amarajothi; García, Hermenegildo; Cebula, Izabela; Easun, Timothy L.; Savage, Mathew; Eyley, Jennifer E.; Gao, Shan; Blake, Alexander J.; Lewis, William; Beton, Peter H.; Warren, Mark R.; Allan, David R.; Frogley, Mark D.; Tang, Chiu C.; Cinque, Gianfelice; Yang, Sihai; Schröder, Martin","Enhancement of CO2 Adsorption and Catalytic Properties by Fe-Doping of [Ga2(OH)2(L)] (H4L = Biphenyl-3,3',5,5'-tetracarboxylic Acid), MFM-300(Ga2).","Inorganic chemistry","2016","55","3","1076","1088","10.1021/acs.inorgchem.5b02108","","","0.6889","synchrotron","","0.0892","0.0634","","","0.149","0.1622","","","","","","1.132","","","","has coordinates","175610","2020-10-21","18:00:00",""
"4344747","14.924","0.008","14.924","0.008","11.929","0.009","90","","90","","90","","2657","3","195","2","195.15","","","","","","","","","5","I 41 2 2","I 4bw 2bw","98","MFM-300 (Ga1.9Fe0.1) 2.07CO2","","","- C18.06 H8 Fe0.1 Ga1.9 O14.12 -","- C18.068 H8 Fe0.1 Ga1.9 O14.136 -","- C72.272 H32 Fe0.4 Ga7.6 O56.544 -","4","0.25","","Krap, Cristina P.; Newby, Ruth; Dhakshinamoorthy, Amarajothi; García, Hermenegildo; Cebula, Izabela; Easun, Timothy L.; Savage, Mathew; Eyley, Jennifer E.; Gao, Shan; Blake, Alexander J.; Lewis, William; Beton, Peter H.; Warren, Mark R.; Allan, David R.; Frogley, Mark D.; Tang, Chiu C.; Cinque, Gianfelice; Yang, Sihai; Schröder, Martin","Enhancement of CO2 Adsorption and Catalytic Properties by Fe-Doping of [Ga2(OH)2(L)] (H4L = Biphenyl-3,3',5,5'-tetracarboxylic Acid), MFM-300(Ga2).","Inorganic chemistry","2016","55","3","1076","1088","10.1021/acs.inorgchem.5b02108","","","0.6889","synchrotron","","0.0544","0.05","","","0.139","0.1432","","","","","","1.137","","","","has coordinates","175610","2020-10-21","18:00:00",""
"4344748","10.5869","0.0002","19.5108","0.0004","11.8159","0.0002","90","","90","","90","","2440.68","0.08","120","2","120","2","","","","","","","","4","P m n 21","P 2ac -2","31","","","","- C48 H36 Fe6 O36 -","- C48 H30 Fe6 O36 -","- C96 H60 Fe12 O72 -","2","0.5","","Krap, Cristina P.; Newby, Ruth; Dhakshinamoorthy, Amarajothi; García, Hermenegildo; Cebula, Izabela; Easun, Timothy L.; Savage, Mathew; Eyley, Jennifer E.; Gao, Shan; Blake, Alexander J.; Lewis, William; Beton, Peter H.; Warren, Mark R.; Allan, David R.; Frogley, Mark D.; Tang, Chiu C.; Cinque, Gianfelice; Yang, Sihai; Schröder, Martin","Enhancement of CO2 Adsorption and Catalytic Properties by Fe-Doping of [Ga2(OH)2(L)] (H4L = Biphenyl-3,3',5,5'-tetracarboxylic Acid), MFM-300(Ga2).","Inorganic chemistry","2016","55","3","1076","1088","10.1021/acs.inorgchem.5b02108","","","0.6889","synchrotron","","0.1001","0.0964","","","0.2384","0.2456","","","","","","1.121","","","","has coordinates,has disorder","175610","2020-10-21","18:00:00",""
"4344749","20.5454","0.0018","25.326","0.002","13.8827","0.0012","90","","90","","90","","7223.6","1.1","100","2","100","2","","","","","","","","6","P 21 21 2","P 2 2ab","18","","","","- C30 H77 Cl6 Eu4 N18 O50.5 -","- C30 H55 Cl5.8265 Eu4 N18 O50.498 -","- C120 H220 Cl23.306 Eu16 N72 O201.992 -","4","1","","Ansari, Seraj A.; Yang, Yanqiu; Zhang, Zhicheng; Gagnon, Kevin J.; Teat, Simon J.; Luo, Shunzhong; Rao, Linfeng","Complexation of Lanthanides with Glutaroimide-dioxime: Binding Strength and Coordination Modes.","Inorganic chemistry","2016","55","3","1315","1323","10.1021/acs.inorgchem.5b02653","","","0.7749","synchrotron","","0.0441","0.0382","","","0.0951","0.0983","","","","","","1.037","","","","has coordinates,has disorder","211332","2020-10-21","18:00:00",""
"4344750","9.5182","0.0005","9.5182","0.0005","7.0087","0.0005","90","","90","","90","","634.96","0.07","296.4","","296.4","","","","","","","","","5","P 4 21 2","P 4ab 2ab","90","","","","- Cu4 O17 P4 Sr Ti -","- Cu4 O17 P4 Sr Ti -","- Cu8 O34 P8 Sr2 Ti2 -","2","0.25","","Kimura, Kenta; Sera, Masakazu; Kimura, Tsuyoshi","A(2+) Cation Control of Chiral Domain Formation in A(TiO)Cu4(PO4)4 (A = Ba, Sr).","Inorganic chemistry","2016","55","3","1002","1004","10.1021/acs.inorgchem.5b02622","","","0.71075","MoKα","","","0.0368","","","","0.0394","","","","","","1.07","","","","has coordinates","175612","2020-10-21","18:00:00",""
"4344751","9.6028","0.0005","9.6028","0.0005","7.1209","0.0005","90","","90","","90","","656.65","0.07","294.1","","294.1","","","","","","","","","5","P 4 21 2","P 4ab 2ab","90","","","","- Ba Cu4 O17 P4 Ti -","- Ba Cu4 O17 P4 Ti -","- Ba2 Cu8 O34 P8 Ti2 -","2","0.25","","Kimura, Kenta; Sera, Masakazu; Kimura, Tsuyoshi","A(2+) Cation Control of Chiral Domain Formation in A(TiO)Cu4(PO4)4 (A = Ba, Sr).","Inorganic chemistry","2016","55","3","1002","1004","10.1021/acs.inorgchem.5b02622","","","0.71075","MoKα","","","0.0398","","","","0.0523","","","","","","1.035","","","","has coordinates","175613","2020-10-21","18:00:00",""
"4344752","18.01","0.004","18.427","0.004","22.874","0.005","103.96","0.009","91.535","0.009","92.898","0.01","7352","3","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C136 H105 Cl7 N9 Ni5 O25 -","- C136 H86 Cl7 N9 Ni5 O25 -","- C272 H172 Cl14 N18 Ni10 O50 -","2","1","","Perlepe, Panagiota S.; Cunha-Silva, Luís; Gagnon, Kevin J.; Teat, Simon J.; Lampropoulos, Christos; Escuer, Albert; Stamatatos, Theocharis C.","""Ligands-with-Benefits"": Naphthalene-Substituted Schiff Bases Yielding New Ni(II) Metal Clusters with Ferromagnetic and Emissive Properties and Undergoing Exciting Transformations.","Inorganic chemistry","2016","55","3","1270","1277","10.1021/acs.inorgchem.5b02492","","","0.71073","MoKα","","0.059","0.0528","","","0.1454","0.1506","","","","","","1.056","","","","has coordinates","175614","2020-10-21","18:00:00",""
"4344753","16.9856","0.0006","25.1456","0.0011","32.8854","0.0013","72.694","0.002","84.405","0.002","83.388","0.002","13291.1","0.9","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C222 H144 Cl13 N13 Ni12 O44 -","- C222 H144 Cl13 N13 Ni12 O43.992 -","- C444 H288 Cl26 N26 Ni24 O87.984 -","2","1","","Perlepe, Panagiota S.; Cunha-Silva, Luís; Gagnon, Kevin J.; Teat, Simon J.; Lampropoulos, Christos; Escuer, Albert; Stamatatos, Theocharis C.","""Ligands-with-Benefits"": Naphthalene-Substituted Schiff Bases Yielding New Ni(II) Metal Clusters with Ferromagnetic and Emissive Properties and Undergoing Exciting Transformations.","Inorganic chemistry","2016","55","3","1270","1277","10.1021/acs.inorgchem.5b02492","","","0.7749","synchrotron","","0.0802","0.0516","","","0.1186","0.1306","","","","","","1.072","","","","has coordinates,has disorder","211332","2020-10-21","18:00:00",""
"4344754","9.758","0.002","16.575","0.003","21.452","0.004","104.13","0.03","100.68","0.03","96.53","0.03","3260","1.3","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C46 H48 Ce Cu4 I4 N3 O13 -","- C46 H48 Ce Cu4 I4 N3 O13 -","- C92 H96 Ce2 Cu8 I8 N6 O26 -","2","1","","Zeng, Guang; Xing, Shanghua; Wang, Xiuru; Yang, Yulin; Ma, Dingxuan; Liang, Hongwei; Gao, Lu; Hua, Jia; Li, Guanghua; Shi, Zhan; Feng, Shouhua","3d-4f Metal-Organic Framework with Dual Luminescent Centers That Efficiently Discriminates the Isomer and Homologues of Small Organic Molecules.","Inorganic chemistry","2016","55","3","1089","1095","10.1021/acs.inorgchem.5b02193","","","0.71073","MoKα","","0.1376","0.0752","","","0.1929","0.2218","","","","","","1.021","","","","has coordinates","175616","2020-10-21","18:00:00",""
"4344755","9.776","0.002","16.337","0.003","21.534","0.004","103.82","0.03","100.74","0.03","95.87","0.03","3242.1","1.3","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C46 H47 Cu4 I4 La N3 O13 -","- C46 H46 Cu4 I4 La N3 O12.5 -","- C92 H92 Cu8 I8 La2 N6 O25 -","2","1","","Zeng, Guang; Xing, Shanghua; Wang, Xiuru; Yang, Yulin; Ma, Dingxuan; Liang, Hongwei; Gao, Lu; Hua, Jia; Li, Guanghua; Shi, Zhan; Feng, Shouhua","3d-4f Metal-Organic Framework with Dual Luminescent Centers That Efficiently Discriminates the Isomer and Homologues of Small Organic Molecules.","Inorganic chemistry","2016","55","3","1089","1095","10.1021/acs.inorgchem.5b02193","","","0.71073","MoKα","","0.1148","0.0612","","","0.1419","0.1646","","","","","","1.024","","","","has coordinates","175617","2020-10-21","18:00:00",""
"4344756","9.605","0.0019","16.769","0.003","21.155","0.004","104.16","0.03","100.31","0.03","97.16","0.03","3199.4","1.3","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C46 H48 Cu4 I4 N3 O13 Tb -","- C46 H48 Cu4 I4 N3 O13 Tb -","- C92 H96 Cu8 I8 N6 O26 Tb2 -","2","1","","Zeng, Guang; Xing, Shanghua; Wang, Xiuru; Yang, Yulin; Ma, Dingxuan; Liang, Hongwei; Gao, Lu; Hua, Jia; Li, Guanghua; Shi, Zhan; Feng, Shouhua","3d-4f Metal-Organic Framework with Dual Luminescent Centers That Efficiently Discriminates the Isomer and Homologues of Small Organic Molecules.","Inorganic chemistry","2016","55","3","1089","1095","10.1021/acs.inorgchem.5b02193","","","0.71073","MoKα","","0.0794","0.0513","","","0.1354","0.1504","","","","","","1.023","","","","has coordinates","175618","2020-10-21","18:00:00",""
"4344757","9.6689","0.0019","16.716","0.003","21.277","0.004","104.23","0.03","100.42","0.03","96.86","0.03","3229.6","1.3","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C46 H48 Cu4 Eu I4 N3 O13 -","- C46 H48 Cu4 Eu I4 N3 O13 -","- C92 H96 Cu8 Eu2 I8 N6 O26 -","2","1","","Zeng, Guang; Xing, Shanghua; Wang, Xiuru; Yang, Yulin; Ma, Dingxuan; Liang, Hongwei; Gao, Lu; Hua, Jia; Li, Guanghua; Shi, Zhan; Feng, Shouhua","3d-4f Metal-Organic Framework with Dual Luminescent Centers That Efficiently Discriminates the Isomer and Homologues of Small Organic Molecules.","Inorganic chemistry","2016","55","3","1089","1095","10.1021/acs.inorgchem.5b02193","","","0.71073","MoKα","","0.1404","0.0758","","","0.1708","0.204","","","","","","1.035","","","","has coordinates","175619","2020-10-21","18:00:00",""
"4344758","18.573","0.004","17.051","0.003","16.993","0.003","90","","102.78","0.03","90","","5248.2","1.8","133","2","133","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C41.75 H59.75 Br3 Cu2 N11.25 O6.25 -","- C41.75 H59.75 Br3 Cu2 N11.25 O6.25 -","- C167 H239 Br12 Cu8 N45 O25 -","4","1","","Wilting, Alexander; Kügler, Merle; Siewert, Inke","Copper Complexes with NH-Imidazolyl and NH-Pyrazolyl Units and Determination of Their Bond Dissociation Gibbs Energies.","Inorganic chemistry","2016","55","3","1061","1068","10.1021/acs.inorgchem.5b02084","","","0.71073","MoKα","","0.2004","0.112","","","0.2036","0.2432","","","","","","1.109","","","","has coordinates,has disorder","175620","2020-10-21","18:00:00",""
"4344759","9.7087","0.0004","13.8549","0.0006","17.1249","0.0007","82.158","0.003","84.692","0.003","71.183","0.003","2157.13","0.16","133","2","133","2","","","","","","","","6","P -1","-P 1","2","","","","- C35.5 H44.5 Br3 Cu2 N8.5 O3.5 -","- C35.5 H44.5 Br3 Cu2 N8.5 O3.5 -","- C71 H89 Br6 Cu4 N17 O7 -","2","1","","Wilting, Alexander; Kügler, Merle; Siewert, Inke","Copper Complexes with NH-Imidazolyl and NH-Pyrazolyl Units and Determination of Their Bond Dissociation Gibbs Energies.","Inorganic chemistry","2016","55","3","1061","1068","10.1021/acs.inorgchem.5b02084","","","0.71073","MoKα","","0.1177","0.0875","","","0.2227","0.2441","","","","","","0.983","","","","has coordinates,has disorder","175620","2020-10-21","18:00:00",""
"4344817","23.3951","0.001","8.767","0.0004","36.04","0.0015","90","","90","","90","","7392","0.6","100","2","100","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C33 H30 Eu N9 O12 -","- C33 H30 Eu N9 O12 -","- C264 H240 Eu8 N72 O96 -","8","2","","Daumann, Lena J.; Tatum, David S.; Andolina, Christopher M.; Pacold, Joseph I.; D'Aléo, Anthony; Law, Ga-Lai; Xu, Jide; Raymond, Kenneth N.","Effects of Ligand Geometry on the Photophysical Properties of Photoluminescent Eu(III) and Sm(III) 1-Hydroxypyridin-2-one Complexes in Aqueous Solution.","Inorganic chemistry","2016","55","1","114","124","10.1021/acs.inorgchem.5b01927","","","0.71073","MoKα","","0.0218","0.0213","","","0.0484","0.0486","","","","","","1.099","","","","has coordinates,has disorder","175652","2020-10-21","18:00:00",""
"4344818","13.3172","0.0015","13.3353","0.0015","14.6729","0.0017","99.965","0.002","116.208","0.002","91.859","0.002","2285.1","0.5","141","2","141","2","","","","","","","","5","P -1","-P 1","2","","","","- C42 H58 Eu N9 O13 -","- C42 H58 Eu N9 O13 -","- C84 H116 Eu2 N18 O26 -","2","1","","Daumann, Lena J.; Tatum, David S.; Andolina, Christopher M.; Pacold, Joseph I.; D'Aléo, Anthony; Law, Ga-Lai; Xu, Jide; Raymond, Kenneth N.","Effects of Ligand Geometry on the Photophysical Properties of Photoluminescent Eu(III) and Sm(III) 1-Hydroxypyridin-2-one Complexes in Aqueous Solution.","Inorganic chemistry","2016","55","1","114","124","10.1021/acs.inorgchem.5b01927","","","0.71073","MoKα","","0.0337","0.0306","","","0.0836","0.0851","","","","","","1.076","","","","has coordinates","175653","2020-10-21","18:00:00",""
"4344819","23.473","0.008","8.794","0.003","36.244","0.012","90","","90","","90","","7482","4","100","2","100","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C33 H30 N9 O12 Sm -","- C33 H30 N9 O12 Sm -","- C264 H240 N72 O96 Sm8 -","8","2","","Daumann, Lena J.; Tatum, David S.; Andolina, Christopher M.; Pacold, Joseph I.; D'Aléo, Anthony; Law, Ga-Lai; Xu, Jide; Raymond, Kenneth N.","Effects of Ligand Geometry on the Photophysical Properties of Photoluminescent Eu(III) and Sm(III) 1-Hydroxypyridin-2-one Complexes in Aqueous Solution.","Inorganic chemistry","2016","55","1","114","124","10.1021/acs.inorgchem.5b01927","","","0.71073","MoKα","","0.025","0.0236","","","0.0542","0.0551","","","","","","0.996","","","","has coordinates,has disorder","175654","2020-10-21","18:00:00",""
"4344820","13.3434","0.0017","13.345","0.003","14.6758","0.0018","100.121","0.002","116.229","0.002","91.793","0.002","2290.1","0.7","137","2","137","2","","","","","","","","5","P -1","-P 1","2","","","","- C42 H58 N9 O13 Sm -","- C42 H58 N9 O13 Sm -","- C84 H116 N18 O26 Sm2 -","2","1","","Daumann, Lena J.; Tatum, David S.; Andolina, Christopher M.; Pacold, Joseph I.; D'Aléo, Anthony; Law, Ga-Lai; Xu, Jide; Raymond, Kenneth N.","Effects of Ligand Geometry on the Photophysical Properties of Photoluminescent Eu(III) and Sm(III) 1-Hydroxypyridin-2-one Complexes in Aqueous Solution.","Inorganic chemistry","2016","55","1","114","124","10.1021/acs.inorgchem.5b01927","","","0.71073","MoKα","","0.0499","0.0353","","","0.0795","0.0855","","","","","","1.045","","","","has coordinates","175655","2020-10-21","18:00:00",""
"4344866","28.094","0.004","13.778","0.002","19.626","0.003","90","","114.714","0.007","90","","6901","1.8","296","2","296","2","","","","","","","synthesis","5","C 1 2/c 1","-C 2yc","15","","unk","","- C36 H47 Cu N2 O2 -","- C36 H47 Cu N2 O2 -","- C288 H376 Cu8 N16 O16 -","8","1","","Ghorai, Samir; Sarmah, Amrit; Roy, Ram Kinkar; Tiwari, Archana; Mukherjee, Chandan","Effect of Geometrical Distortion on the Electronic Structure: Synthesis and Characterization of Monoradical-Coordinated Mononuclear Cu(II) Complexes.","Inorganic chemistry","2016","55","4","1370","1380","10.1021/acs.inorgchem.5b01257","","x-ray","0.71073","MoKα","","0.0685","0.0393","","","0.0944","0.1043","","","","","","1.134","","","","has coordinates","177187","2020-10-21","18:00:00",""
"4344867","6.3536","0.0004","19.2147","0.0013","27.2831","0.0014","90","","90","","90","","3330.8","0.4","296","2","296","2","","","","","","","synthesise","5","P 21 21 21","P 2ac 2ab","19","","","","- C36 H45 Cu N2 O3 -","- C36 H45 Cu N2 O3 -","- C144 H180 Cu4 N8 O12 -","4","1","","Ghorai, Samir; Sarmah, Amrit; Roy, Ram Kinkar; Tiwari, Archana; Mukherjee, Chandan","Effect of Geometrical Distortion on the Electronic Structure: Synthesis and Characterization of Monoradical-Coordinated Mononuclear Cu(II) Complexes.","Inorganic chemistry","2016","55","4","1370","1380","10.1021/acs.inorgchem.5b01257","","x-ray","0.71073","MoKα","","0.085","0.0654","","","0.124","0.1338","","","","","","1.07","","","","has coordinates","177188","2020-10-21","18:00:00",""
"4344868","10.3588","0.0011","16.5312","0.0017","10.7954","0.0011","90","","112.87","0.001","90","","1703.3","0.3","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","catena-tris(μ~2~-dimethyelphosphato)-neodymium","","- C6 H18 Nd O12 P3 -","- C6 H18 Nd O12 P3 -","- C24 H72 Nd4 O48 P12 -","4","1","","Lumetta, Gregg J.; Sinkov, Sergey I.; Krause, Jeanette A.; Sweet, Lucas E.","Neodymium(III) Complexes of Dialkylphosphoric and Dialkylphosphonic Acids Relevant to Liquid-Liquid Extraction Systems.","Inorganic chemistry","2016","55","4","1633","1641","10.1021/acs.inorgchem.5b02524","","","0.7749","synchrotron","","0.0408","0.0335","","","0.0836","0.0871","","","","","","1.029","","","","has coordinates","177189","2020-10-21","18:00:00",""
"4344869","7.29481","0.00006","7.29481","0.00006","7.29481","0.00006","90","","90","","90","","388.188","0.006","300","","300","","","","","","","","","4","I m -3","-I 2 2 3","204","","","","- Ca Cu2.79 Fe4.21 O12 -","- Ca Cu2.79 Fe4.21 O12 -","- Ca2 Cu5.58 Fe8.42 O24 -","2","0.0416667","","Yamada, Ikuya; Murakami, Makoto; Hayashi, Naoaki; Mori, Shigeo","Inverse Charge Transfer in the Quadruple Perovskite CaCu3Fe4O12.","Inorganic chemistry","2016","55","4","1715","1719","10.1021/acs.inorgchem.5b02623","powder diffraction","","0.41981","","","0.01541","","","","","","0.01542","0.02193","0.9247","","","","","","","has coordinates","177191","2020-10-21","18:00:00",""
"4344870","7.26256","0.00007","7.26256","0.00007","7.26256","0.00007","90","","90","","90","","383.062","0.006","100","","100","","","","","","","","","4","P n -3 :2","-P 2ab 2bc 3","201","","","","- Ca Cu2.79 Fe4.21 O12 -","- Ca Cu2.79 Fe4.21 O12 -","- Ca2 Cu5.58 Fe8.42 O24 -","2","0.0833333","","Yamada, Ikuya; Murakami, Makoto; Hayashi, Naoaki; Mori, Shigeo","Inverse Charge Transfer in the Quadruple Perovskite CaCu3Fe4O12.","Inorganic chemistry","2016","55","4","1715","1719","10.1021/acs.inorgchem.5b02623","powder diffraction","","0.41981","","","0.01214","","","","","","0.01214","0.01661","0.9513","","","","","","","has coordinates","177191","2020-10-21","18:00:00",""
"4344871","11.206","0.0005","11.6166","0.0005","37.2209","0.0009","90","","90","","90","","4845.3","0.3","150","2","150","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C20 H39 Ag N3 O6 P -","- C20 H39 Ag N3 O6 P -","- C160 H312 Ag8 N24 O48 P8 -","8","1","","Jaros, Sabina W.; Guedes da Silva, M Fátima C; Król, Jarosław; Conceição Oliveira, M; Smoleński, Piotr; Pombeiro, Armando J. L.; Kirillov, Alexander M.","Bioactive Silver-Organic Networks Assembled from 1,3,5-Triaza-7-phosphaadamantane and Flexible Cyclohexanecarboxylate Blocks.","Inorganic chemistry","2016","55","4","1486","1496","10.1021/acs.inorgchem.5b02235","","","0.71073","MoKα","","0.1232","0.0912","","","0.1801","0.1949","","","","","","1.2","","","","has coordinates","177192","2020-10-21","18:00:00",""
"4344872","6.9853","0.0009","20.315","0.003","13.5218","0.0019","90","","96.782","0.005","90","","1905.4","0.5","150","2","150","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C11 H17 Ag N3 O4 P -","- C11 H17 Ag N3 O4 P -","- C44 H68 Ag4 N12 O16 P4 -","4","1","","Jaros, Sabina W.; Guedes da Silva, M Fátima C; Król, Jarosław; Conceição Oliveira, M; Smoleński, Piotr; Pombeiro, Armando J. L.; Kirillov, Alexander M.","Bioactive Silver-Organic Networks Assembled from 1,3,5-Triaza-7-phosphaadamantane and Flexible Cyclohexanecarboxylate Blocks.","Inorganic chemistry","2016","55","4","1486","1496","10.1021/acs.inorgchem.5b02235","","","0.71069","MoKα","","0.064","0.0617","","","0.1379","0.1387","","","","","","1.29","","","","has coordinates","177193","2020-10-21","18:00:00",""
"4344873","20.9473","0.0008","13.3532","0.0004","11.1554","0.0004","90","","90","","90","","3120.32","0.19","150","2","150","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C10 H17 Ag N3 O2 P -","- C10 H17 Ag N3 O2 P -","- C80 H136 Ag8 N24 O16 P8 -","8","1","","Jaros, Sabina W.; Guedes da Silva, M Fátima C; Król, Jarosław; Conceição Oliveira, M; Smoleński, Piotr; Pombeiro, Armando J. L.; Kirillov, Alexander M.","Bioactive Silver-Organic Networks Assembled from 1,3,5-Triaza-7-phosphaadamantane and Flexible Cyclohexanecarboxylate Blocks.","Inorganic chemistry","2016","55","4","1486","1496","10.1021/acs.inorgchem.5b02235","","","0.71073","MoKα","","0.0576","0.052","","","0.1241","0.126","","","","","","1.195","","","","has coordinates","177194","2020-10-21","18:00:00",""
"4344874","30.262","0.003","13.6023","0.0012","32.983","0.003","90","","116.883","0.011","90","","12110","2","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C60 H74 Ir2 N6 O7 -","- C60 H74 Ir2 N6 O7 -","- C480 H592 Ir16 N48 O56 -","8","1","","Yang, Xiaolong; Xu, Xianbin; Dang, Jing-Shuang; Zhou, Guijiang; Ho, Cheuk-Lam; Wong, Wai-Yeung","From Mononuclear to Dinuclear Iridium(III) Complex: Effective Tuning of the Optoelectronic Characteristics for Organic Light-Emitting Diodes.","Inorganic chemistry","2016","55","4","1720","1727","10.1021/acs.inorgchem.5b02625","","","0.71073","MoKα","","0.1253","0.0588","","","0.133","0.1597","","","","","","1.058","","","","has coordinates","177195","2020-10-21","18:00:00",""
"4344875","18.679","0.01","22.856","0.012","12.905","0.007","90","","90","","90","","5509","5","100","2","100","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C52 H57 Ir2 N6 O5 -","- C52 H57 Ir2 N6 O5 -","- C208 H228 Ir8 N24 O20 -","4","0.5","","Yang, Xiaolong; Xu, Xianbin; Dang, Jing-Shuang; Zhou, Guijiang; Ho, Cheuk-Lam; Wong, Wai-Yeung","From Mononuclear to Dinuclear Iridium(III) Complex: Effective Tuning of the Optoelectronic Characteristics for Organic Light-Emitting Diodes.","Inorganic chemistry","2016","55","4","1720","1727","10.1021/acs.inorgchem.5b02625","","","0.71073","MoKα","","0.1959","0.13","","","0.3039","0.3343","","","","","","1.127","","","","has coordinates","177196","2020-10-21","18:00:00",""
"4344879","22.376","0.008","22.376","0.008","22.376","0.008","90","","90","","90","","11203","7","173","2","173","2","","","","","","","","5","F m -3 m","-F 4 2 3","225","","","","- Co2.5 H68 N7 O59 W11 -","- Co2.4996 N7 O52 W11.0004 -","- Co19.9968 N56 O416 W88.0032 -","8","0.0416667","","Glass, Elliot N.; Fielden, John; Huang, Zhuangqun; Xiang, Xu; Musaev, Djamaladdin G.; Lian, Tianquan; Hill, Craig L.","Transition Metal Substitution Effects on Metal-to-Polyoxometalate Charge Transfer.","Inorganic chemistry","2016","55","9","4308","4319","10.1021/acs.inorgchem.6b00060","","","0.71073","MoKα","","0.025","0.0231","","","0.0605","0.0616","","","","","","1.217","","","","has coordinates","182492","2020-10-21","18:00:00",""
"4344880","9.4617","0.0006","12.8137","0.0008","12.9974","0.0008","82.901","0.005","85.705","0.005","76.749","0.005","1520.31","0.17","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C23 H38 N2 O16 Zn2 -","- C23 H36 N2 O16 Zn2 -","- C46 H72 N4 O32 Zn4 -","2","1","","Gupta, Abhishek Kumar; Dhir, Abhimanew; Pradeep, Chullikkattil P.","Multifunctional Zn(II) Complexes: Photophysical Properties and Catalytic Transesterification toward Biodiesel Synthesis.","Inorganic chemistry","2016","55","15","7492","7500","10.1021/acs.inorgchem.6b00804","","","0.71073","MoKα","","0.0498","0.0395","","","0.0952","0.1025","","","","","","1.05","","","","has coordinates","184927","2020-10-21","18:00:00",""
"4344881","16.0116","0.0007","29.3742","0.001","14.5726","0.0006","90","","105.562","0.005","90","","6602.6","0.5","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C25 H42 N2 O18 Zn2 -","- C25 H41 N2 O18 Zn2 -","- C200 H328 N16 O144 Zn16 -","8","2","","Gupta, Abhishek Kumar; Dhir, Abhimanew; Pradeep, Chullikkattil P.","Multifunctional Zn(II) Complexes: Photophysical Properties and Catalytic Transesterification toward Biodiesel Synthesis.","Inorganic chemistry","2016","55","15","7492","7500","10.1021/acs.inorgchem.6b00804","","","0.71073","MoKα","","0.1296","0.0737","","","0.164","0.2082","","","","","","1.066","","","","has coordinates","190287","2020-10-21","18:00:00",""
"4344882","9.5367","0.0008","12.0547","0.001","13.1566","0.0011","97.977","0.007","94.89","0.007","112.142","0.008","1371.7","0.2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C22 H33 Br N2 O14 Zn2 -","- C20 H30 Br N2 O12 Zn2 -","- C40 H60 Br2 N4 O24 Zn4 -","2","1","","Gupta, Abhishek Kumar; Dhir, Abhimanew; Pradeep, Chullikkattil P.","Multifunctional Zn(II) Complexes: Photophysical Properties and Catalytic Transesterification toward Biodiesel Synthesis.","Inorganic chemistry","2016","55","15","7492","7500","10.1021/acs.inorgchem.6b00804","","","0.71073","MoKα","","0.0838","0.0472","","","0.1205","0.1548","","","","","","0.996","","","","has coordinates","184927","2020-10-21","18:00:00",""
"4344883","5.1604","0.0011","9.1488","0.0018","17.745","0.003","90","","90","","90","","837.8","0.3","293","","293","","","","","","","","","2","C m c m","-C 2c 2","63","","","","- Ca Pd5.219 -","- Ca Pd5.219 -","- Ca8 Pd41.752 -","8","0.5","","Kilduff, Brandon J.; Fredrickson, Daniel C.","Chemical Pressure-Driven Incommensurability in CaPd5: Clues to High-Pressure Chemistry Offered by Complex Intermetallics.","Inorganic chemistry","2016","55","13","6781","6793","10.1021/acs.inorgchem.6b01124","","x-ray","0.71073","MoKα","","0.0832","0.0294","","","0.0721","0.095","","","","1.71","1.71","1.28","","","","has coordinates","184820","2020-10-21","18:00:00",""
"4344884","11.4606","0.0012","13.0568","0.0012","14.1283","0.0015","93.342","0.004","96.771","0.004","101.354","0.004","2051.1","0.4","200","","200","","","","","","","","","4","P -1","-P 1","2","","","","- C46 H62 N2 Ti -","- C46 H62 N2 Ti -","- C92 H124 N4 Ti2 -","2","1","","Clark, Kensha Marie","Synthesis and Reactivity of Low-Coordinate Titanium Synthons Supported by a Reduced Redox-Active Ligand.","Inorganic chemistry","2016","55","13","6443","6448","10.1021/acs.inorgchem.6b00404","","x-ray","0.71073","MoKα","","0.0554","0.0398","","","0.0987","0.1085","","","","","","1.015","","","","has coordinates,has disorder","184821","2020-10-21","18:00:00",""
"4344885","10.339","0.004","16.092","0.005","16.733","0.006","90","","105.212","0.007","90","","2686.4","1.6","223","2","223","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C25 H47 Al2 N O -","- C25 H47 Al2 N O -","- C100 H188 Al8 N4 O4 -","4","1","","Li, Wenyi; Ouyang, Hao; Chen, Lijuan; Yuan, Dan; Zhang, Yong; Yao, Yingming","A Comparative Study on Dinuclear and Mononuclear Aluminum Methyl Complexes Bearing Piperidyl-Phenolato Ligands in ROP of Epoxides.","Inorganic chemistry","2016","55","13","6520","6524","10.1021/acs.inorgchem.6b00639","","","0.71075","MoKα","","0.1036","0.0694","","","0.1709","0.2115","","","","","","1.055","","","","has coordinates","184822","2020-10-21","18:00:00",""
"4344886","9.319","0.007","21.167","0.016","12.486","0.009","90","","91.951","0.014","90","","2462","3","223","2","223","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C22 H41 Al2 N O -","- C22 H41 Al2 N O -","- C88 H164 Al8 N4 O4 -","4","1","","Li, Wenyi; Ouyang, Hao; Chen, Lijuan; Yuan, Dan; Zhang, Yong; Yao, Yingming","A Comparative Study on Dinuclear and Mononuclear Aluminum Methyl Complexes Bearing Piperidyl-Phenolato Ligands in ROP of Epoxides.","Inorganic chemistry","2016","55","13","6520","6524","10.1021/acs.inorgchem.6b00639","","","0.71075","MoKα","","0.0995","0.0594","","","0.1541","0.2026","","","","","","1.129","","","","has coordinates","184822","2020-10-21","18:00:00",""
"4344887","25.629","0.011","12.493","0.004","15.648","0.007","90","","117.311","0.008","90","","4452","3","223","2","223","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C38 H70 Al4 N2 O2 -","- C38 H70 Al4 N2 O2 -","- C152 H280 Al16 N8 O8 -","4","0.5","","Li, Wenyi; Ouyang, Hao; Chen, Lijuan; Yuan, Dan; Zhang, Yong; Yao, Yingming","A Comparative Study on Dinuclear and Mononuclear Aluminum Methyl Complexes Bearing Piperidyl-Phenolato Ligands in ROP of Epoxides.","Inorganic chemistry","2016","55","13","6520","6524","10.1021/acs.inorgchem.6b00639","","","0.71075","MoKα","","0.0885","0.0684","","","0.1756","0.196","","","","","","0.951","","","","has coordinates","184822","2020-10-21","18:00:00",""
"4344888","16.1487","","22.1042","","22.1404","","90","","108.769","","90","","7482.85","","93","","93","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C60 H91 N6 O23 V7 -","- C60 H65 N6 O23 V7 -","- C240 H260 N24 O92 V28 -","4","1","","Kodama, Shintaro; Taya, Nobuto; Inoue, Yuta; Ishii, Youichi","Synthesis and Interconversion of V4, V7, and V8 Oxide Clusters: Unexpected Formation of Neutral Heptanuclear Oxido(alkoxido)vanadium(V) Clusters [V7O17(OR)(4,4'-(t)Bubpy)3] (R = Et, MeOC2H4).","Inorganic chemistry","2016","55","13","6712","6718","10.1021/acs.inorgchem.6b00963","","","0.71075","MoKα","","0.1061","0.0831","","","0.2235","0.2428","","","","","","1.094","","","","has coordinates","184823","2020-10-21","18:00:00",""
"4344889","34.1668","0.001","34.1668","0.001","19.3425","0.0009","90","","90","","90","","22579.9","1.4","293","2","293","2","","","","","","","","5","I m m m","-I 2 2","71","","","","- C46 H28 Cu3 N4 O13 -","- C46 H27 Cu3 N4 O12.999 -","- C368 H216 Cu24 N32 O103.992 -","8","0.5","","Fan, Weidong; Lin, Huan; Yuan, Xue; Dai, Fangna; Xiao, Zhenyu; Zhang, Liangliang; Luo, Liwen; Wang, Rongming","Expanded Porous Metal-Organic Frameworks by SCSC: Organic Building Units Modifying and Enhanced Gas-Adsorption Properties.","Inorganic chemistry","2016","55","13","6420","6425","10.1021/acs.inorgchem.6b00278","","","0.71","MoKα","","0.193","0.0828","","","0.1866","0.2285","","","","","","0.636","","","","has coordinates,has disorder","184824","2020-10-21","18:00:00",""
"4344890","12.1211","0.0007","8.561","0.0005","12.405","0.0008","90","","111.635","0.007","90","","1196.57","0.14","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C13 H17 N O -","- C13 H17 N O -","- C52 H68 N4 O4 -","4","1","","Dwivedi, Ambikesh D.; Binnani, Chinky; Tyagi, Deepika; Rawat, Kuber S.; Li, Pei-Zhou; Zhao, Yanli; Mobin, Shaikh M.; Pathak, Biswarup; Singh, Sanjay K.","Troponate/Aminotroponate Ruthenium-Arene Complexes: Synthesis, Structure, and Ligand-Tuned Mechanistic Pathway for Direct C-H Bond Arylation with Aryl Chlorides in Water.","Inorganic chemistry","2016","55","13","6739","6749","10.1021/acs.inorgchem.6b01028","","","1.54184","CuKα","","0.0607","0.0517","","","0.1499","0.1626","","","","","","1.043","","","","has coordinates","184825","2020-10-21","18:00:00",""
"4344891","14.7074","0.0004","16.6899","0.0003","7.7339","0.0002","90","","102.751","0.002","90","","1851.58","0.08","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C20 H26 Cl N O Ru -","- C20 H26 Cl N O Ru -","- C80 H104 Cl4 N4 O4 Ru4 -","4","1","","Dwivedi, Ambikesh D.; Binnani, Chinky; Tyagi, Deepika; Rawat, Kuber S.; Li, Pei-Zhou; Zhao, Yanli; Mobin, Shaikh M.; Pathak, Biswarup; Singh, Sanjay K.","Troponate/Aminotroponate Ruthenium-Arene Complexes: Synthesis, Structure, and Ligand-Tuned Mechanistic Pathway for Direct C-H Bond Arylation with Aryl Chlorides in Water.","Inorganic chemistry","2016","55","13","6739","6749","10.1021/acs.inorgchem.6b01028","","","0.71073","MoKα","","0.035","0.0297","","","0.0728","0.0782","","","","","","1.1","","","","has coordinates","184826","2020-10-21","18:00:00",""
"4344892","10.6918","0.0005","13.3978","0.0006","11.4591","0.0005","90","","99.654","0.004","90","","1618.23","0.13","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C17 H19 Cl O2 Ru -","- C17 H19 Cl O2 Ru -","- C68 H76 Cl4 O8 Ru4 -","4","1","","Dwivedi, Ambikesh D.; Binnani, Chinky; Tyagi, Deepika; Rawat, Kuber S.; Li, Pei-Zhou; Zhao, Yanli; Mobin, Shaikh M.; Pathak, Biswarup; Singh, Sanjay K.","Troponate/Aminotroponate Ruthenium-Arene Complexes: Synthesis, Structure, and Ligand-Tuned Mechanistic Pathway for Direct C-H Bond Arylation with Aryl Chlorides in Water.","Inorganic chemistry","2016","55","13","6739","6749","10.1021/acs.inorgchem.6b01028","","","0.71073","MoKα","","0.0479","0.0318","","","0.0665","0.0757","","","","","","1.053","","","","has coordinates","184827","2020-10-21","18:00:00",""
"4344893","10.893","0.005","6.618","0.003","17.337","0.008","90","","106.885","0.008","90","","1195.9","0.9","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H20 Mn3 O14 -","- C22 H20 Mn3 O14 -","- C44 H40 Mn6 O28 -","2","0.5","","Wu, Yun-Long; Guo, Fu-Sheng; Yang, Guo-Ping; Wang, Lu; Jin, Jun-Cheng; Zhou, Xiang; Zhang, Wen-Yan; Wang, Yao-Yu","Two Isostructural Metal-Organic Frameworks Directed by the Different Center Metal Ions, Exhibiting the Ferrimagnetic Behavior and Slow Magnetic Relaxation.","Inorganic chemistry","2016","55","13","6592","6596","10.1021/acs.inorgchem.6b00757","","","0.71073","MoKα","","0.0774","0.0499","","","0.1428","0.1833","","","","","","1.002","","","","has coordinates","184828","2020-10-21","18:00:00",""
"4344894","10.911","0.004","6.413","0.003","17.045","0.007","90","","105.867","0.006","90","","1147.2","0.8","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H20 Co3 O14 -","- C22 H20 Co3 O14 -","- C44 H40 Co6 O28 -","2","0.5","","Wu, Yun-Long; Guo, Fu-Sheng; Yang, Guo-Ping; Wang, Lu; Jin, Jun-Cheng; Zhou, Xiang; Zhang, Wen-Yan; Wang, Yao-Yu","Two Isostructural Metal-Organic Frameworks Directed by the Different Center Metal Ions, Exhibiting the Ferrimagnetic Behavior and Slow Magnetic Relaxation.","Inorganic chemistry","2016","55","13","6592","6596","10.1021/acs.inorgchem.6b00757","","","0.71073","MoKα","","0.0996","0.0551","","","0.1647","0.252","","","","","","1.04","","","","has coordinates","184828","2020-10-21","18:00:00",""
"4344895","11.5081","0.0007","11.4273","0.0004","13.2728","0.0008","90","","91.889","0.003","90","","1744.51","0.16","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C13 H17 N3 O9 U -","- C13 H17 N3 O9 U -","- C52 H68 N12 O36 U4 -","4","1","","Thuéry, Pierre; Harrowfield, Jack","Modulation of the Structure and Properties of Uranyl Ion Coordination Polymers Derived from 1,3,5-Benzenetriacetate by Incorporation of Ag(I) or Pb(II).","Inorganic chemistry","2016","55","13","6799","6816","10.1021/acs.inorgchem.6b01168","","","0.71073","MoKα","","0.034","0.0261","","","0.0638","0.0657","","","","","","1.069","","","","has coordinates","184830","2020-10-21","18:00:00",""
"4344896","8.986","0.0003","17.7983","0.0004","21.3159","0.0007","90","","90","","90","","3409.17","0.18","150","2","150","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C14 H17 N O8 U -","- C14 H17 N O8 U -","- C112 H136 N8 O64 U8 -","8","1","","Thuéry, Pierre; Harrowfield, Jack","Modulation of the Structure and Properties of Uranyl Ion Coordination Polymers Derived from 1,3,5-Benzenetriacetate by Incorporation of Ag(I) or Pb(II).","Inorganic chemistry","2016","55","13","6799","6816","10.1021/acs.inorgchem.6b01168","","","0.71073","MoKα","","0.0217","0.0196","","","0.0487","0.0496","","","","","","1.13","","","","has coordinates","184830","2020-10-21","18:00:00",""
"4344897","19.0486","0.0005","17.4121","0.0006","19.6753","0.0005","90","","114.184","0.002","90","","5953.1","0.3","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C60 H50 N6 O22 U3 -","- C60 H50 N6 O22 U3 -","- C240 H200 N24 O88 U12 -","4","0.5","","Thuéry, Pierre; Harrowfield, Jack","Modulation of the Structure and Properties of Uranyl Ion Coordination Polymers Derived from 1,3,5-Benzenetriacetate by Incorporation of Ag(I) or Pb(II).","Inorganic chemistry","2016","55","13","6799","6816","10.1021/acs.inorgchem.6b01168","","","0.71073","MoKα","","0.0394","0.0276","","","0.0638","0.0669","","","","","","1.031","","","","has coordinates","184830","2020-10-21","18:00:00",""
"4344898","13.9272","0.0007","17.5666","0.0008","17.9322","0.0008","99.49","0.003","91.664","0.003","100.672","0.003","4244.3","0.3","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C77 H81 N7 O22 U3 -","- C77 H80 N7 O22 U3 -","- C154 H160 N14 O44 U6 -","2","1","","Thuéry, Pierre; Harrowfield, Jack","Modulation of the Structure and Properties of Uranyl Ion Coordination Polymers Derived from 1,3,5-Benzenetriacetate by Incorporation of Ag(I) or Pb(II).","Inorganic chemistry","2016","55","13","6799","6816","10.1021/acs.inorgchem.6b01168","","","0.71073","MoKα","","0.0735","0.0578","","","0.1434","0.1496","","","","","","1.1","","","","has coordinates","184830","2020-10-21","18:00:00",""
"4344899","18.6927","0.0008","8.0733","0.0004","19.9326","0.0009","90","","115.851","0.003","90","","2707.1","0.2","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C12 H9 Ag O8 U -","- C12 H9 Ag O8 U -","- C96 H72 Ag8 O64 U8 -","8","1","","Thuéry, Pierre; Harrowfield, Jack","Modulation of the Structure and Properties of Uranyl Ion Coordination Polymers Derived from 1,3,5-Benzenetriacetate by Incorporation of Ag(I) or Pb(II).","Inorganic chemistry","2016","55","13","6799","6816","10.1021/acs.inorgchem.6b01168","","","0.71073","MoKα","","0.0339","0.026","","","0.062","0.0641","","","","","","1.037","","","","has coordinates","184830","2020-10-21","18:00:00",""
"4344900","22.049","0.0011","9.3829","0.0003","11.5465","0.0005","90","","90","","90","","2388.78","0.18","150","2","150","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C22 H17 N3 O11 Pb U -","- C22 H17 N3 O11 Pb U -","- C88 H68 N12 O44 Pb4 U4 -","4","1","","Thuéry, Pierre; Harrowfield, Jack","Modulation of the Structure and Properties of Uranyl Ion Coordination Polymers Derived from 1,3,5-Benzenetriacetate by Incorporation of Ag(I) or Pb(II).","Inorganic chemistry","2016","55","13","6799","6816","10.1021/acs.inorgchem.6b01168","","","0.71073","MoKα","","0.0365","0.029","","","0.062","0.0639","","","","","","1.024","","","","has coordinates","184830","2020-10-21","18:00:00",""
"4344901","10.552","0.003","18.441","0.004","11.967","0.003","90","","115.735","0.003","90","","2097.7","0.9","100","","100","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C24 H38 O -","- C24 H38 O -","- C96 H152 O4 -","4","1","","Kanazawa, Shoya; Ohira, Taishi; Goda, Shun; Hayakawa, Naoki; Tanikawa, Tomoharu; Hashizume, Daisuke; Ishida, Yutaka; Kawaguchi, Hiroyuki; Matsuo, Tsukasa","Synthesis and Structural Characterization of Lithium and Titanium Complexes Bearing a Bulky Aryloxide Ligand Based on a Rigid Fused-Ring s-Hydrindacene Skeleton.","Inorganic chemistry","2016","55","13","6643","6652","10.1021/acs.inorgchem.6b00762","","","0.71075","MoKα","","0.0774","0.0608","","","0.1171","0.1256","","","","","","1.113","","","","has coordinates","184831","2020-10-21","18:00:00",""
"4344902","22.037","0.017","12.339","0.009","23.767","0.018","90","","90","","90","","6463","8","200","2","200","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C32 H53 Cl2 O3 Ti -","- C32 H53 Cl2 O3 Ti -","- C256 H424 Cl16 O24 Ti8 -","8","2","","Kanazawa, Shoya; Ohira, Taishi; Goda, Shun; Hayakawa, Naoki; Tanikawa, Tomoharu; Hashizume, Daisuke; Ishida, Yutaka; Kawaguchi, Hiroyuki; Matsuo, Tsukasa","Synthesis and Structural Characterization of Lithium and Titanium Complexes Bearing a Bulky Aryloxide Ligand Based on a Rigid Fused-Ring s-Hydrindacene Skeleton.","Inorganic chemistry","2016","55","13","6643","6652","10.1021/acs.inorgchem.6b00762","","","0.71073","MoKα","","0.1082","0.0778","","","0.1865","0.2134","","","","","","1.047","","","","has coordinates,has disorder","184832","2020-10-21","18:00:00",""
"4344903","19.295","0.002","7.9904","0.001","31.829","0.004","90","","92.287","0.003","90","","4903.3","1","90","","90","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C28 H46 O -","- C28 H46 O -","- C224 H368 O8 -","8","1","","Kanazawa, Shoya; Ohira, Taishi; Goda, Shun; Hayakawa, Naoki; Tanikawa, Tomoharu; Hashizume, Daisuke; Ishida, Yutaka; Kawaguchi, Hiroyuki; Matsuo, Tsukasa","Synthesis and Structural Characterization of Lithium and Titanium Complexes Bearing a Bulky Aryloxide Ligand Based on a Rigid Fused-Ring s-Hydrindacene Skeleton.","Inorganic chemistry","2016","55","13","6643","6652","10.1021/acs.inorgchem.6b00762","","","0.71073","MoKα","","0.0871","0.0594","","","0.1327","0.1495","","","","","","1.055","","","","has coordinates","184833","2020-10-21","18:00:00",""
"4344904","10.167","0.006","11.431","0.008","12.675","0.009","85.36","0.04","80.92","0.04","68.61","0.03","1354","1.6","100","","100","","","","","","","","","4","P -1","-P 1","2","","","","- C56 H94 Li2 O4 -","- C56 H94 Li2 O4 -","- C56 H94 Li2 O4 -","1","0.5","","Kanazawa, Shoya; Ohira, Taishi; Goda, Shun; Hayakawa, Naoki; Tanikawa, Tomoharu; Hashizume, Daisuke; Ishida, Yutaka; Kawaguchi, Hiroyuki; Matsuo, Tsukasa","Synthesis and Structural Characterization of Lithium and Titanium Complexes Bearing a Bulky Aryloxide Ligand Based on a Rigid Fused-Ring s-Hydrindacene Skeleton.","Inorganic chemistry","2016","55","13","6643","6652","10.1021/acs.inorgchem.6b00762","","","0.71075","MoKα","","0.1493","0.0988","","","0.1781","0.2032","","","","","","1.147","","","","has coordinates","184834","2020-10-21","18:00:00",""
"4344905","10.5148","0.0012","14.6106","0.0018","29.947","0.004","90","","91.715","0.0017","90","","4598.6","1","100","","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C48 H74 Cl2 O2 Ti -","- C48 H74 Cl2 O2 Ti -","- C192 H296 Cl8 O8 Ti4 -","4","1","","Kanazawa, Shoya; Ohira, Taishi; Goda, Shun; Hayakawa, Naoki; Tanikawa, Tomoharu; Hashizume, Daisuke; Ishida, Yutaka; Kawaguchi, Hiroyuki; Matsuo, Tsukasa","Synthesis and Structural Characterization of Lithium and Titanium Complexes Bearing a Bulky Aryloxide Ligand Based on a Rigid Fused-Ring s-Hydrindacene Skeleton.","Inorganic chemistry","2016","55","13","6643","6652","10.1021/acs.inorgchem.6b00762","","","0.71075","MoKα","","0.0668","0.0586","","","0.1199","0.1241","","","","","","1.145","","","","has coordinates","184835","2020-10-21","18:00:00",""
"4344906","15.451","0.002","16.269","0.002","24.655","0.003","90.592","0.003","90.993","0.003","112.104","0.004","5740.3","1.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C62 H96 Cl O4 Ti -","- C62 H96 Cl O4 Ti -","- C248 H384 Cl4 O16 Ti4 -","4","2","","Kanazawa, Shoya; Ohira, Taishi; Goda, Shun; Hayakawa, Naoki; Tanikawa, Tomoharu; Hashizume, Daisuke; Ishida, Yutaka; Kawaguchi, Hiroyuki; Matsuo, Tsukasa","Synthesis and Structural Characterization of Lithium and Titanium Complexes Bearing a Bulky Aryloxide Ligand Based on a Rigid Fused-Ring s-Hydrindacene Skeleton.","Inorganic chemistry","2016","55","13","6643","6652","10.1021/acs.inorgchem.6b00762","","","0.71073","MoKα","","0.1141","0.0852","","","0.2784","0.2975","","","","","","1.078","","","","has coordinates,has disorder","184836","2020-10-21","18:00:00",""
"4344907","38.929","0.01","12.248","0.003","33.721","0.008","90","","108.362","0.004","90","","15260","7","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C84 H135 Li3 O3 -","- C84 H135 Li3 O3 -","- C672 H1080 Li24 O24 -","8","1","","Kanazawa, Shoya; Ohira, Taishi; Goda, Shun; Hayakawa, Naoki; Tanikawa, Tomoharu; Hashizume, Daisuke; Ishida, Yutaka; Kawaguchi, Hiroyuki; Matsuo, Tsukasa","Synthesis and Structural Characterization of Lithium and Titanium Complexes Bearing a Bulky Aryloxide Ligand Based on a Rigid Fused-Ring s-Hydrindacene Skeleton.","Inorganic chemistry","2016","55","13","6643","6652","10.1021/acs.inorgchem.6b00762","","","0.71075","MoKα","","0.1895","0.1643","","","0.3058","0.3236","","","","","","1.388","","","","has coordinates,has disorder","184837","2020-10-21","18:00:00",""
"4344908","10.802","0.002","24.288","0.005","25.511","0.005","90","","98.01","0.003","90","","6628","2","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C72 H111 Cl O3 Ti -","- C72 H111 Cl O3 Ti -","- C288 H444 Cl4 O12 Ti4 -","4","1","","Kanazawa, Shoya; Ohira, Taishi; Goda, Shun; Hayakawa, Naoki; Tanikawa, Tomoharu; Hashizume, Daisuke; Ishida, Yutaka; Kawaguchi, Hiroyuki; Matsuo, Tsukasa","Synthesis and Structural Characterization of Lithium and Titanium Complexes Bearing a Bulky Aryloxide Ligand Based on a Rigid Fused-Ring s-Hydrindacene Skeleton.","Inorganic chemistry","2016","55","13","6643","6652","10.1021/acs.inorgchem.6b00762","","","0.71075","MoKα","","0.1472","0.119","","","0.2233","0.2377","","","","","","1.249","","","","has coordinates,has disorder","184838","2020-10-21","18:00:00",""
"4344909","12.6182","0.0007","12.6315","0.0007","18.1289","0.001","79.601","0.004","79.25","0.004","89.473","0.005","2791.3","0.3","193","2","193","2","","","","","","","","4","P -1","-P 1","2","","bis(2-dimethyl-2-hydroxypropyl)(1-dimethyl-2-hydroxypropyl)amine","","- C12 H27 N O3 -","- C12 H27 N O3 -","- C96 H216 N8 O24 -","8","4","","Glowacki, Britta; Lutter, Michael; Schollmeyer, Dieter; Hiller, Wolf; Jurkschat, Klaus","Novel Stannatrane N(CH2CMe2O)2(CMe2CH2O)SnO-t-Bu and Related Oligonuclear Tin(IV) Oxoclusters. Two Isomers in One Crystal.","Inorganic chemistry","2016","","","","","10.1021/acs.inorgchem.6b01429","","","0.71073","MoKα","","0.1125","0.0621","","","0.1573","0.1977","","","","","","1.057","","","","has coordinates","186828","2020-10-21","18:00:00",""
"4344910","9.413","0.0003","10.1905","0.0003","19.5205","0.0006","90","","90","","90","","1872.47","0.1","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","1-tert-Butoxido-(2,8,9-trioxa-5-aza-3,3,7,7,11,11- tetramethyl-1-stannatricyclo[3.3.3.01,5]undecane)","","- C16 H33 N O4 Sn -","- C16 H33 N O4 Sn -","- C64 H132 N4 O16 Sn4 -","4","1","","Glowacki, Britta; Lutter, Michael; Schollmeyer, Dieter; Hiller, Wolf; Jurkschat, Klaus","Novel Stannatrane N(CH2CMe2O)2(CMe2CH2O)SnO-t-Bu and Related Oligonuclear Tin(IV) Oxoclusters. Two Isomers in One Crystal.","Inorganic chemistry","2016","","","","","10.1021/acs.inorgchem.6b01429","","x-ray","0.71073","MoKα","","0.0189","0.0178","","","0.0585","0.059","","","","","","1.252","","","","has coordinates","186828","2020-10-21","18:00:00",""
"4344911","13.2531","0.0002","20.4541","0.0004","21.791","0.0004","115.09","0.0019","90.2795","0.0016","103.555","0.0016","5164.13","0.19","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","(m3-oxido)(tert-Butanolato)-tris(2,8,9-trioxa-5-aza-3,3,7,7,11,11- tetramethyl-1-stanna-tricyclo[3.3.3.01,5]-undecane) (m3-oxido)(m3-tert-Butanolato)-tris(2,8,9-trioxa-5-aza-3,3,7,7,11,11- tetramethyl-1-stanna-tricyclo[3.3.3.01,5]-undecane)","","- C83.5 H166 N6 O22 Sn6 -","- C80 H162 N6 O22 Sn6 -","- C160 H324 N12 O44 Sn12 -","2","1","","Glowacki, Britta; Lutter, Michael; Schollmeyer, Dieter; Hiller, Wolf; Jurkschat, Klaus","Novel Stannatrane N(CH2CMe2O)2(CMe2CH2O)SnO-t-Bu and Related Oligonuclear Tin(IV) Oxoclusters. Two Isomers in One Crystal.","Inorganic chemistry","2016","","","","","10.1021/acs.inorgchem.6b01429","","x-ray","0.71073","MoKα","","0.0434","0.0369","","","0.1083","0.1107","","","","","","1.386","","","","has coordinates","186828","2020-10-21","18:00:00",""
"4344912","14.4599","0.0008","18.5397","0.0009","27.7172","0.0016","90","","90","","90","","7430.5","0.7","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C60 H116 N4 O22 Sn6 -","- C60 H108 N4 O22 Sn6 -","- C240 H432 N16 O88 Sn24 -","4","1","","Glowacki, Britta; Lutter, Michael; Schollmeyer, Dieter; Hiller, Wolf; Jurkschat, Klaus","Novel Stannatrane N(CH2CMe2O)2(CMe2CH2O)SnO-t-Bu and Related Oligonuclear Tin(IV) Oxoclusters. Two Isomers in One Crystal.","Inorganic chemistry","2016","","","","","10.1021/acs.inorgchem.6b01429","","x-ray","0.71073","MoKα","","0.1207","0.064","","","0.1077","0.1228","","","","","","0.978","","","","has coordinates","186828","2020-10-21","18:00:00",""
"4344919","26.923","0.002","26.923","","39.422","0.002","90","","90","","90","","28575","3","123","2","123","2","","","","","","","","5","P 4/m n c","-P 4 2n","128","","","","- C58 H40 Cu6 N10 O30 -","- C58 H40 Cu6 N10 O30 -","- C464 H320 Cu48 N80 O240 -","8","0.5","","Wu, Jian; Xu, Jing-Wen; Liu, Wei-Cong; Yang, Su-Zhen; Luo, Miao-Miao; Han, Yao-Yao; Liu, Jian-Qiang; Batten, Stuart R.","Designed metal‒organic framework based on metal‒organic polyhedron: Drug delivery","Inorganic Chemistry Communications","2016","71","","32","","10.1016/j.inoche.2016.06.023","","","0.71073","MoKα","","0.1105","0.0819","","","0.2182","0.2383","","","","","","1.092","","","","has coordinates,has disorder","189215","2020-10-21","18:00:00",""
"4344920","10.819","0.005","24.514","0.005","16.607","0.005","90","","91.681","0.005","90","","4403","3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C35 H27 Cd2 N3 O10 -","- C35 H27 Cd2 N3 O10 -","- C140 H108 Cd8 N12 O40 -","4","1","","Pal, Tapan K.; Chatterjee, Nabanita; Bharadwaj, Parimal K.","Linker-Induced Structural Diversity and Photophysical Property of MOFs for Selective and Sensitive Detection of Nitroaromatics","Inorganic Chemistry","2016","55","4","1741","","10.1021/acs.inorgchem.5b02645","","","0.71073","MoKα","","0.0648","0.0466","","","0.1108","0.1208","","","","","","0.99","","","","has coordinates","189225","2020-10-21","18:00:00",""
"4344921","12.2","0.02","26.58","0.05","18.62","0.03","90","","104.82","0.02","90","","5837","17","100","2","100","2","","","","","","","","5","P 1 2/m 1","-P 2y","10","","","","- C74 H38 Cd4 N9 O18 -","- C74 H38 Cd4 N9 O18 -","- C148 H76 Cd8 N18 O36 -","2","0.5","","Pal, Tapan K.; Chatterjee, Nabanita; Bharadwaj, Parimal K.","Linker-Induced Structural Diversity and Photophysical Property of MOFs for Selective and Sensitive Detection of Nitroaromatics","Inorganic Chemistry","2016","55","4","1741","","10.1021/acs.inorgchem.5b02645","","","0.71073","MoKα","","0.1621","0.1198","","","0.2941","0.3155","","","","","","0.838","","","","has coordinates","189225","2020-10-21","18:00:00",""
"4344922","29.2649","0.0004","7.8975","0.0001","42.5654","0.0007","90","","90","","90","","9837.7","0.2","100","0.3","100","0.3","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C35 H33 N O9 Zn -","- C35 H33 N O9 Zn -","- C280 H264 N8 O72 Zn8 -","8","1","","Li, Wei-Jin; Liu, Juan; Sun, Zhi-Hua; Liu, Tian-Fu; Lü, Jian; Gao, Shui-Ying; He, Chao; Cao, Rong; Luo, Jun-Hua","Integration of metal-organic frameworks into an electrochemical dielectric thin film for electronic applications","Nature Communications","2016","7","15","11830","","10.1038/ncomms11830","","","1.54184","CuKα","","0.0809","0.0697","","","0.2013","0.2105","","","","","","1.084","","","","has coordinates","189228","2020-10-21","18:00:00",""
"4344923","17.9938","0.0002","17.9938","0.0002","22.1829","0.0005","90","","90","","90","","7182.3","0.2","100","2","100","2","","","","","","","","6","I 4/m m m","-I 4 2","139","","","","- C36 H24 Cu7 I2 N8 O20 -","- C36 H24 Cu7 I2 N8 O20 -","- C144 H96 Cu28 I8 N32 O80 -","4","0.125","","He, Hongming; Sun, Fuxing; Ma, Shengqian; Zhu, Guangshan","Reticular Synthesis of a Series of HKUST-like MOFs with Carbon Dioxide Capture and Separation","Inorganic Chemistry","2016","55","17","9071","9076","10.1021/acs.inorgchem.6b01592","","","1.54178","CuKα","","0.0478","0.0468","","","0.147","0.148","","","","","","1.045","","","","has coordinates","275238","2022-05-09","00:28:04",""
"4344924","19.1501","0.0017","19.1501","0.0017","11.119","0.0012","90","","90","","90","","4077.6","0.7","","","","","","","","","","","","6","P 4/n m m :2","-P 4a 2a","129","","","","- C7 H3 Cu2 I N O5 -","- C7 H3 Cu2 I N O5 -","- C56 H24 Cu16 I8 N8 O40 -","8","0.5","","He, Hongming; Sun, Fuxing; Ma, Shengqian; Zhu, Guangshan","Reticular Synthesis of a Series of HKUST-like MOFs with Carbon Dioxide Capture and Separation","Inorganic Chemistry","2016","55","17","9071","9076","10.1021/acs.inorgchem.6b01592","","","","","","0.041","","","","","","","","","","","","","","","has coordinates","275238","2022-05-09","00:28:04",""
"4344925","21.2731","0.0005","25.7339","0.0006","27.1818","0.0007","90","","90","","90","","14880.4","0.6","100","2","100","2","","","","","","","","6","F m m m","-F 2 2","69","","","","- C28 H12 Cu5 I2 N4 O18 -","- C28 H12 Cu5 I2 N4 O18 -","- C224 H96 Cu40 I16 N32 O144 -","8","0.25","","He, Hongming; Sun, Fuxing; Ma, Shengqian; Zhu, Guangshan","Reticular Synthesis of a Series of HKUST-like MOFs with Carbon Dioxide Capture and Separation","Inorganic Chemistry","2016","55","17","9071","9076","10.1021/acs.inorgchem.6b01592","","","1.54178","CuKα","","0.1156","0.1099","","","0.2954","0.3031","","","","","","1.072","","","","has coordinates","275238","2022-05-09","00:28:04",""
"4344929","12.743","0.005","10.874","0.005","17.709","0.005","90","0.005","103.198","0.005","90","0.005","2389.1","1.6","298","2","298","2","","","","","","","","5","I 1 a 1","I -2ya","9","","","","- C20 H21 Cu N3 O10 -","- C20 H21 Cu N3 O10 -","- C80 H84 Cu4 N12 O40 -","4","1","","Maity, Dilip Kumar; Halder, Arijit; Pahari, Goutam; Haque, Fazle; Ghoshal, Debajyoti","Hydrogen Uptake by an Inclined Polycatenated Dynamic Metal-Organic Framework Based Material.","Inorganic chemistry","2016","","","","","10.1021/acs.inorgchem.6b02719","","","0.71073","MoKα","","0.0797","0.0512","","","0.1111","0.1268","","","","","","0.978","","","","has coordinates","189527","2020-10-21","18:00:00",""
"4344934","11.6752","0.0006","11.6752","0.0006","12.8954","0.0004","90","","90","","90","","1757.78","0.14","100","2","100","2","","","","","","","","6","I 4/m","-I 4","87","","","","- C8 H16 N8 Ni2 O8 W -","- C8 H16 N8 Ni2 O8 W -","- C32 H64 N32 Ni8 O32 W4 -","4","0.25","","Reczyński, Mateusz; Chorazy, Szymon; Nowicka, Beata; Sieklucka, Barbara; Ohkoshi, Shin-Ichi","Dehydration of Octacyanido-Bridged Ni(II)-W(IV) Framework toward Negative Thermal Expansion and Magneto-Colorimetric Switching.","Inorganic chemistry","2016","","","","","10.1021/acs.inorgchem.6b01883","","x-ray","0.71075","MoKα","","0.0199","0.0194","","","0.0331","0.0332","","","","","","1.464","","","","has coordinates","189532","2020-10-21","18:00:00",""
"4344935","10.9485","0.0013","10.9485","0.0013","12.7277","0.0009","90","","90","","90","","1525.7","0.3","100","2","100","2","","","","","","","","4","I 4/m c m","-I 4 2c","140","","","","- C4 N4 Ni W0.5 -","- C4 N4 Ni W0.5 -","- C32 N32 Ni8 W4 -","8","0.25","","Reczyński, Mateusz; Chorazy, Szymon; Nowicka, Beata; Sieklucka, Barbara; Ohkoshi, Shin-Ichi","Dehydration of Octacyanido-Bridged Ni(II)-W(IV) Framework toward Negative Thermal Expansion and Magneto-Colorimetric Switching.","Inorganic chemistry","2016","","","","","10.1021/acs.inorgchem.6b01883","","x-ray","0.71075","MoKα","","0.04","0.04","","","0.0873","0.0873","","","","","","1.262","","","","has coordinates","189533","2020-10-21","18:00:00",""
"4344943","12.932","0.006","14.338","0.006","14.51","0.006","104.743","0.001","108.981","0.005","108.119","0.004","2220.6","1.7","93","2","93","2","","","","","","","","8","P -1","-P 1","2","","","","- C8 H46 Al Eu Mo6 N Na O44 -","- C8 H7 Al Eu Mo6 N Na O44 -","- C16 H14 Al2 Eu2 Mo12 N2 Na2 O88 -","2","1","","Ji, Huanyao; Li, Xiaomin; Xu, Donghua; Zhou, Yunshan; Zhang, Lijuan; Zuhra, Zareen; Yang, Shaowei","Synthesis, Structure, and Photoluminescence of Color-Tunable and White-Light-Emitting Lanthanide Metal-Organic Open Frameworks Composed of AlMo6(OH)6O18(3-) Polyanion and Nicotinate.","Inorganic chemistry","2016","","","","","10.1021/acs.inorgchem.6b01852","","","0.71073","MoKα","","0.0915","0.0836","","","0.2333","0.2382","","","","","","1.019","","","","has coordinates,has disorder","198632","2020-10-21","18:00:00",""
"4344958","8.1964","0.0012","13.0005","0.0019","7.8955","0.0011","90","","90.75","0.002","90","","841.3","0.2","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- B6 F2 Na2 O9 -","- B6 F2 Na2 O9 -","- B24 F8 Na8 O36 -","4","1","","Shi, Guoqiang; Zhang, Fangfang; Zhang, Bingbing; Hou, Dianwei; Chen, Xinglong; Yang, Zhihua; Pan, Shilie","Na2B6O9F2: A Fluoroborate with Short Cutoff Edge and Deep-Ultraviolet Birefringent Property Prepared by an Open High-Temperature Solution Method.","Inorganic chemistry","2016","","","","","10.1021/acs.inorgchem.6b02269","","","0.71073","MoKα","","0.0572","0.0374","","","0.0817","0.0906","","","","","","1.03","","","","has coordinates","189548","2020-10-21","18:00:00",""
"4344974","22.8866","0.0005","19.2321","0.0004","17.2553","0.0004","90","","95.991","0.007","90","","7553.6","0.3","93","","93","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C84 H106 B2 N4 O10 Zn2 -","- C84 H106 B2 N4 O10 Zn2 -","- C336 H424 B8 N16 O40 Zn8 -","4","0.5","","Sakiyama, Hiroshi; Chiba, Yukako; Tone, Katsuya; Yamasaki, Mikio; Mikuriya, Masahiro; Krzystek, J.; Ozarowski, Andrew","Magnetic Properties of a Dinuclear Nickel(II) Complex with 2,6-Bis[(2-hydroxyethyl)methylaminomethyl]-4-methylphenolate.","Inorganic chemistry","2016","","","","","10.1021/acs.inorgchem.6b01671","","","0.71075","MoKα","","","0.0246","","","","0.0642","","","","","","1.04","","","","has coordinates","189553","2020-10-21","18:00:00",""
"4344976","14.9694","0.0008","17.0368","0.0008","11.7309","0.0006","90","","92.621","0.002","90","","2988.6","0.3","173","2","173","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C14 H15 Cu I N O S -","- C14 H15 Cu I N O S -","- C112 H120 Cu8 I8 N8 O8 S8 -","8","1","","Kwon, Eunjin; Kim, Jineun; Lee, Kang Yeol; Kim, Tae Ho","Non-Phase-Transition Luminescence Mechanochromism of a Copper(I) Coordination Polymer.","Inorganic chemistry","2016","","","","","10.1021/acs.inorgchem.6b02571","","","0.71073","MoKα","","0.0313","0.0273","","","0.0708","0.0738","","","","","","1.037","","","","has coordinates","189555","2020-10-21","18:00:00",""
"4344977","13.7667","0.0011","15.093","0.0013","17.3669","0.0015","97.363","0.002","105.117","0.002","103.647","0.002","3315.4","0.5","296","2","296.15","","","","","","","","","6","P -1","-P 1","2","","","","- C32 H36 Cl Co N4 O6 -","- C32 H36 Cl Co N4 O6 -","- C128 H144 Cl4 Co4 N16 O24 -","4","2","","Zhang, Qiao; Bell-Taylor, Angela; Bronston, Fraser M.; Gorden, John D.; Goldsmith, Christian R.","Aldehyde Deformylation and Catalytic C-H Activation Resulting from a Shared Cobalt(II) Precursor.","Inorganic chemistry","2016","","","","","10.1021/acs.inorgchem.6b02127","","","0.71073","MoKα","","0.1175","0.0948","","","0.2591","0.2774","","","","","","1.0564","","","","has coordinates,has disorder","189556","2020-10-21","18:00:00",""
"4344990","25.0141","0.0005","21.2383","0.0004","10.0324","0.0002","90","","97.166","0.002","90","","5288.15","0.18","150","2","150","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- C31 H45 Li N4 O16 Zn -","- C22 H14 Li N O8 Zn -","- C176 H112 Li8 N8 O64 Zn8 -","8","1","","Huang, Yong-Liang; Zhong, Di-Chang; Jiang, Long; Gong, Yun-Nan; Lu, Tong-Bu","Two Li-Zn Cluster-Based Metal-Organic Frameworks: Strong H2/CO2 Binding and High Selectivity to CO2.","Inorganic chemistry","2016","","","","","10.1021/acs.inorgchem.6b02407","","","1.54178","CuKα","","0.1085","0.0995","","","0.284","0.2987","","","","","","1.069","","","","has coordinates,has disorder","189564","2020-10-21","18:00:00",""
"4344991","7.4396","0.0011","7.4396","0.0011","4.742","0.0007","90","","90","","120","","227.3","0.06","293","2","293","2","","","","","","","","4","P 63 m c","P 6c -2c","186","","","","- B3 Fe0.86 Rh5.12 Ru1.02 -","- B3 Fe0.859 Rh1.0337 Ru5.107 -","- B6 Fe1.718 Rh2.0674 Ru10.214 -","2","0.166667","","Shankhari, Pritam; Misse, Patrick R. N.; Mbarki, Mohammed; Park, Hyounmyung; Fokwa, Boniface P. T.","Chemical Tuning of Magnetic Properties through Ru/Rh Substitution in Th7Fe3-type FeRh6-nRunB3 (n = 1-5) Series.","Inorganic chemistry","2016","","","","","10.1021/acs.inorgchem.6b02341","","","0.71073","MoKα","","0.02","0.0184","","","0.0326","0.033","","","","","","1.132","","","","has coordinates","189565","2020-10-21","18:00:00",""
"4345981","15.9651","0.0003","41.731","0.0008","21.9084","0.0004","90","","92.985","0.001","90","","14576.4","0.5","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C96 H72 B12 F36 O12 -","- C96 H72 B12 F36 O12 -","- C576 H432 B72 F216 O72 -","6","1.5","","Alex I. Wixtrom; Yanwu Shao; Dahee Jung; Charles W. Machan; Shaunt N. Kevork; Elaine A. Qian; Jonathan C. Axtell; Saeed I. Khan; Clifford P. Kubiak; Alexander M. Spokoyny","Rapid Synthesis of Redox-Active Dodecaborane B12(OR)12 Clusters Under Ambient Conditions","Inorganic Chemistry Frontiers","2016","3","","711","717","10.1039/C5QI00263J","","","1.54178","CuKα","","0.1108","0.0855","","","0.1973","0.2129","","","","","","1.149","","","","has coordinates,has disorder","205224","2020-10-21","18:00:00",""
"4345982","13.9085","0.0003","38.6574","0.0007","25.437","0.0004","90","","97.1607","0.001","90","","13569.9","0.4","100","2","100","2","","","","","","","","6","P 1 c 1","P -2yc","7","","","","- C124 H96 B12 F72 N O12 -","- C124 H96 B12 F72 N O12 -","- C496 H384 B48 F288 N4 O48 -","4","2","","Alex I. Wixtrom; Yanwu Shao; Dahee Jung; Charles W. Machan; Shaunt N. Kevork; Elaine A. Qian; Jonathan C. Axtell; Saeed I. Khan; Clifford P. Kubiak; Alexander M. Spokoyny","Rapid Synthesis of Redox-Active Dodecaborane B12(OR)12 Clusters Under Ambient Conditions","Inorganic Chemistry Frontiers","2016","3","","711","717","10.1039/C5QI00263J","","","1.54178","CuKα","","0.0985","0.089","","","0.2408","0.2551","","","","","","1.019","","","","has coordinates,has disorder","205225","2020-10-21","18:00:00",""
"4346546","13.8768","0.0005","14.4157","0.0005","18.7392","0.0007","90","","90","","90","","3748.7","0.2","100","2","99.99","","","","","","","","","9","P 21 21 21","P 2ac 2ab","19","","","","- C39 H43 B F4 Fe Ni O2 P2 S2 -","- C39 H43 B F4 Fe Ni O2 P2 S2 -","- C156 H172 B4 F16 Fe4 Ni4 O8 P8 S8 -","4","1","","Chambers, Geoffrey M.; Huynh, Mioy T.; Li, Yulong; Hammes-Schiffer, Sharon; Rauchfuss, Thomas B.; Reijerse, Edward; Lubitz, Wolfgang","Models of the Ni-L and Ni-SIa States of the [NiFe]-Hydrogenase Active Site.","Inorganic chemistry","2016","55","2","419","431","10.1021/acs.inorgchem.5b01662","","","0.71073","MoKα","","0.0579","0.0448","","","0.0972","0.1041","","","","","","1.052","","","","has coordinates","231833","2020-10-21","18:00:00",""
"4346547","8.6228","0.0003","23.8083","0.0009","9.7696","0.0004","90","","112.438","0.0014","90","","1853.8","0.12","183","2","183.15","","","","","","","","","7","P 1 21/m 1","-P 2yb","11","","","","- C42 H43 Fe Ni O P2 S2 -","- C42 H43 Fe Ni O P2 S2 -","- C84 H86 Fe2 Ni2 O2 P4 S4 -","2","0.5","","Chambers, Geoffrey M.; Huynh, Mioy T.; Li, Yulong; Hammes-Schiffer, Sharon; Rauchfuss, Thomas B.; Reijerse, Edward; Lubitz, Wolfgang","Models of the Ni-L and Ni-SIa States of the [NiFe]-Hydrogenase Active Site.","Inorganic chemistry","2016","55","2","419","431","10.1021/acs.inorgchem.5b01662","","","0.71073","MoKα","","0.0386","0.0288","","","0.0676","0.0719","","","","","","1.037","","","","has coordinates,has disorder","231833","2020-10-21","18:00:00",""
"4346548","25.8149","0.0017","11.352","0.0006","15.4306","0.0011","90","","122.06","0.002","90","","3832.3","0.4","100","2","100","","","","","","","","","10","C 1 c 1","C -2yc","9","","","","- C37 H39 B Cl2 F4 Fe Ni O P2 S2 -","- C37 H39 B Cl2 F4 Fe Ni O P2 S2 -","- C148 H156 B4 Cl8 F16 Fe4 Ni4 O4 P8 S8 -","4","1","","Chambers, Geoffrey M.; Huynh, Mioy T.; Li, Yulong; Hammes-Schiffer, Sharon; Rauchfuss, Thomas B.; Reijerse, Edward; Lubitz, Wolfgang","Models of the Ni-L and Ni-SIa States of the [NiFe]-Hydrogenase Active Site.","Inorganic chemistry","2016","55","2","419","431","10.1021/acs.inorgchem.5b01662","","","0.71073","MoKα","","0.0351","0.0285","","","0.0652","0.068","","","","","","1.021","","","","has coordinates","231833","2020-10-21","18:00:00",""
"4346549","10.4724","0.0018","30.158","0.005","12.995","0.002","90","","106.298","0.0019","90","","3939.2","1.1","179","2","179.15","","","","","","","","","9","P 1 21/n 1","-P 2yn","14","","","","- C37 H39 B F4 Fe Ni O P2 S2 -","- C37 H39 B F4 Fe Ni O P2 S2 -","- C148 H156 B4 F16 Fe4 Ni4 O4 P8 S8 -","4","1","","Chambers, Geoffrey M.; Huynh, Mioy T.; Li, Yulong; Hammes-Schiffer, Sharon; Rauchfuss, Thomas B.; Reijerse, Edward; Lubitz, Wolfgang","Models of the Ni-L and Ni-SIa States of the [NiFe]-Hydrogenase Active Site.","Inorganic chemistry","2016","55","2","419","431","10.1021/acs.inorgchem.5b01662","","","0.71073","MoKα","","0.0485","0.0339","","","0.0846","0.0885","","","","","","0.942","","","","has coordinates,has disorder","231833","2020-10-21","18:00:00",""
"4346550","35.637","0.009","11.475","0.003","22.627","0.005","90","","97.862","0.012","90","","9166","4","296","2","296.15","","","","","","","","","10","C 1 2/c 1","-C 2yc","15","","","","- C46 H39 B Cl2 F4 Fe Ni O2 P2 S2 -","- C46 H39 B Cl2 F4 Fe Ni O2 P2 S2 -","- C368 H312 B8 Cl16 F32 Fe8 Ni8 O16 P16 S16 -","8","1","","Chambers, Geoffrey M.; Huynh, Mioy T.; Li, Yulong; Hammes-Schiffer, Sharon; Rauchfuss, Thomas B.; Reijerse, Edward; Lubitz, Wolfgang","Models of the Ni-L and Ni-SIa States of the [NiFe]-Hydrogenase Active Site.","Inorganic chemistry","2016","55","2","419","431","10.1021/acs.inorgchem.5b01662","","","0.71073","MoKα","","0.0671","0.0557","","","0.1606","0.174","","","","","","1.06","","","","has coordinates,has disorder","231833","2020-10-21","18:00:00",""
"4346551","11.0127","0.0007","21.3183","0.0014","18.3474","0.0012","90","","99.419","0.003","90","","4249.4","0.5","100","2","100","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C44 H37 Fe Ni O P2 S2 -","- C44 H37 Fe Ni O P2 S2 -","- C176 H148 Fe4 Ni4 O4 P8 S8 -","4","1","","Chambers, Geoffrey M.; Huynh, Mioy T.; Li, Yulong; Hammes-Schiffer, Sharon; Rauchfuss, Thomas B.; Reijerse, Edward; Lubitz, Wolfgang","Models of the Ni-L and Ni-SIa States of the [NiFe]-Hydrogenase Active Site.","Inorganic chemistry","2016","55","2","419","431","10.1021/acs.inorgchem.5b01662","","","0.71073","MoKα","","0.0385","0.0311","","","0.0855","0.0894","","","","","","1.062","","","","has coordinates","231833","2020-10-21","18:00:00",""
"4346615","11.214","0.0009","9.6052","0.0009","10.2868","0.0009","90","","114.327","0.002","90","","1009.64","0.15","296","2","296","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","Pu oxalate","","","- C6 O22 Pu2 -","- C6 O21 Pu2 -","- C12 O42 Pu4 -","2","0.5","","Tamain, C.; Arab-Chapelet, B; Rivenet, M.; Legoff, X. F.; Loubert, G.; Grandjean, S.; Abraham, F.","Coordination Modes of Americium in the Am2(C2O4)3(H2O)6·4H2O Oxalate: Synthesis, Crystal Structure, Spectroscopic Characterizations and Comparison in the M2(C2O4)3(H2O)6·nH2O (M = Ln, An) Series.","Inorganic chemistry","2016","55","1","51","61","10.1021/acs.inorgchem.5b01781","","","0.71073","MoKα","","0.0358","0.0252","","","0.0603","0.0764","","","","","","1.089","","","","has coordinates","231881","2020-10-21","18:00:00",""
"4346616","11.188","0.001","9.489","0.001","10.234","0.001","90","","114.308","0.001","90","","990.15","0.17","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Am oxalate","","","- C6 H12 Am2 O23 -","- C6 H12 Am2 O22 -","- C12 H24 Am4 O44 -","2","0.5","","Tamain, C.; Arab-Chapelet, B; Rivenet, M.; Legoff, X. F.; Loubert, G.; Grandjean, S.; Abraham, F.","Coordination Modes of Americium in the Am2(C2O4)3(H2O)6·4H2O Oxalate: Synthesis, Crystal Structure, Spectroscopic Characterizations and Comparison in the M2(C2O4)3(H2O)6·nH2O (M = Ln, An) Series.","Inorganic chemistry","2016","55","1","51","61","10.1021/acs.inorgchem.5b01781","","","0.71069","MoKα","","0.044","0.0312","","","0.0724","0.0793","","","","","","1.037","","","","has coordinates","231882","2020-10-21","18:00:00",""
"4346622","12.1802","0.0004","12.7467","0.0004","10.0066","0.0002","90","","90","","90","","1553.6","0.08","296","2","296","2","","","","","","","","5","P n n m","-P 2 2n","58","","","","- H30 Na6 Nb5 O34 Te -","- Na6 Nb5 O33.2 Te -","- Na12 Nb10 O66.4 Te2 -","2","0.25","","Abramov, Pavel A.; Zemerova, Tatiana P.; Moroz, Nikolay K.; Kompankov, Nikolay B.; Zhdanov, Artem A.; Tsygankova, Alfiya R.; Vicent, Cristian; Sokolov, Maxim N.","Synthesis and Characterization of [(OH)TeNb5O18](6-) in Water Solution, Comparison with [Nb6O19](8-).","Inorganic chemistry","2016","55","4","1381","1389","10.1021/acs.inorgchem.5b01806","","","0.71073","MoKα","","0.0367","0.0331","","","0.0921","0.0942","","","","","","1.137","","","","has coordinates","231888","2020-10-21","18:00:00",""
"4346623","9.7486","0.0006","10.4111","0.0006","16.5294","0.0012","82.836","0.003","80.36","0.004","77.789","0.003","1609.56","0.18","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- H26 K6 Na Nb5.5 O32 Te0.5 -","- K6 Na Nb5.5 O32 Te0.5 -","- K12 Na2 Nb11 O64 Te -","2","1","","Abramov, Pavel A.; Zemerova, Tatiana P.; Moroz, Nikolay K.; Kompankov, Nikolay B.; Zhdanov, Artem A.; Tsygankova, Alfiya R.; Vicent, Cristian; Sokolov, Maxim N.","Synthesis and Characterization of [(OH)TeNb5O18](6-) in Water Solution, Comparison with [Nb6O19](8-).","Inorganic chemistry","2016","55","4","1381","1389","10.1021/acs.inorgchem.5b01806","","x-ray","0.71073","MoKα","","0.0497","0.0325","","","0.0733","0.0838","","","","","","1.047","","","","has coordinates","231888","2020-10-21","18:00:00",""
"4346624","10.4704","0.0005","10.4817","0.0005","14.5728","0.0007","88.822","0.002","83.095","0.002","67.06","0.002","1461.56","0.12","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C20 H78 Na3 Nb5 O43 Rh2 Te -","- C20 H30 Na3 Nb5 O43 Rh2 Te -","- C20 H30 Na3 Nb5 O43 Rh2 Te -","1","0.5","","Abramov, Pavel A.; Zemerova, Tatiana P.; Moroz, Nikolay K.; Kompankov, Nikolay B.; Zhdanov, Artem A.; Tsygankova, Alfiya R.; Vicent, Cristian; Sokolov, Maxim N.","Synthesis and Characterization of [(OH)TeNb5O18](6-) in Water Solution, Comparison with [Nb6O19](8-).","Inorganic chemistry","2016","55","4","1381","1389","10.1021/acs.inorgchem.5b01806","","x-ray","0.71073","MoKα","","0.0626","0.0529","","","0.1104","0.1147","","","","","","1.178","","","","has coordinates","231888","2020-10-21","18:00:00",""
"4346625","15.153","0.002","23.334","0.003","20.83","0.003","90","","110.043","0.004","90","","6919","1.6","103","2","103","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C78 H106 N6 Si -","- C78 H106 N6 Si -","- C312 H424 N24 Si4 -","4","1","","Seow, Celestine; Yim, Wai-Leung; Li, Yongxin; Ganguly, Rakesh; So, Cheuk-Wai","Synthesis of an N-Heterocyclic-Carbene-Stabilized Siladiimide.","Inorganic chemistry","2016","55","1","4","6","10.1021/acs.inorgchem.5b01818","","","0.71073","MoKα","","0.1515","0.0699","","","0.1665","0.2093","","","","","","1.014","","","","has coordinates,has disorder","231889","2020-10-21","18:00:00",""
"4346626","19.024","0.004","18.708","0.004","14.086","0.003","90","","90","","90","","5013.2","1.8","103","2","103","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C55 H78 N4 O Si -","- C55 H78 N4 O Si -","- C220 H312 N16 O4 Si4 -","4","1","","Seow, Celestine; Yim, Wai-Leung; Li, Yongxin; Ganguly, Rakesh; So, Cheuk-Wai","Synthesis of an N-Heterocyclic-Carbene-Stabilized Siladiimide.","Inorganic chemistry","2016","55","1","4","6","10.1021/acs.inorgchem.5b01818","","","0.71073","","","0.147","0.0516","","","0.0803","0.0993","","","","","","0.809","","","","has coordinates","231889","2020-10-21","18:00:00",""
"4346657","24.072","0.002","24.072","0.002","54.827","0.01","90","","90","","90","","31770","7","173","","173","","","","","","","","","6","I -4 c 2","I -4 -2c","120","","","","- C96 H256 Br14 N6 O32 Ti6 -","- C96 H256 Br14 N6 O32 Ti6 -","- C768 H2048 Br112 N48 O256 Ti48 -","8","0.5","","Zhang, Guanyun; Hou, Jie; Li, Mingzhong; Tung, Chen-Ho; Wang, Yifeng","Counteranion-Stabilized Titanium(IV) Isopolyoxocationic Clusters Isolated from Water.","Inorganic chemistry","2016","55","10","4704","4709","10.1021/acs.inorgchem.5b01901","","","0.71073","MoKα","","0.1248","0.0665","","","0.1323","0.153","","","","","","1.013","","","","has coordinates,has disorder","231908","2020-10-21","18:00:00",""
"4346658","12.592","0.002","12.592","0.002","28.454","0.004","90","","90","","120","","3907.2","1","173","","173","","","","","","","","","4","R -3 :H","-R 3","148","","","","- H48 I8.5 O36 Ti8 -","- H48 I8.5 O36 Ti8 -","- H144 I25.5 O108 Ti24 -","3","0.166667","","Zhang, Guanyun; Hou, Jie; Li, Mingzhong; Tung, Chen-Ho; Wang, Yifeng","Counteranion-Stabilized Titanium(IV) Isopolyoxocationic Clusters Isolated from Water.","Inorganic chemistry","2016","55","10","4704","4709","10.1021/acs.inorgchem.5b01901","","","0.71073","MoKα","","0.0522","0.0427","","","0.0994","0.1035","","","","","","1.125","","","","has coordinates","231909","2020-10-21","18:00:00",""
"4346659","33.2861","0.0014","33.2861","0.0014","56.069","0.002","90","","90","","90","","62122","4","173.15","","173.15","","","","","","","","","6","P -4 21 c","P -4 2n","114","","","","- C96 H256 Cl14 N6 O32 Ti6 -","- C96 H256 Cl14 N6 O32 Ti6 -","- C1536 H4096 Cl224 N96 O512 Ti96 -","16","2","","Zhang, Guanyun; Hou, Jie; Li, Mingzhong; Tung, Chen-Ho; Wang, Yifeng","Counteranion-Stabilized Titanium(IV) Isopolyoxocationic Clusters Isolated from Water.","Inorganic chemistry","2016","55","10","4704","4709","10.1021/acs.inorgchem.5b01901","","","0.71073","MoKα","","0.1435","0.1059","","","0.2696","0.3191","","","","","","1.036","","","","has coordinates","231910","2020-10-21","18:00:00",""
"4346660","8.4275","0.0001","10.7512","0.0002","10.5321","0.0002","90","","94.714","0.001","90","","951.04","0.03","133","2","133","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H14 Mn2 O8 S2 -","- C14 H14 Mn2 O8 S2 -","- C28 H28 Mn4 O16 S4 -","2","0.5","","Mede, Ralf; Klein, Moritz; Claus, Ralf A.; Krieck, Sven; Quickert, Stefanie; Görls, Helmar; Neugebauer, Ute; Schmitt, Michael; Gessner, Guido; Heinemann, Stefan H.; Popp, Jürgen; Bauer, Michael; Westerhausen, Matthias","CORM-EDE1: A Highly Water-Soluble and Nontoxic Manganese-Based photoCORM with a Biogenic Ligand Sphere.","Inorganic chemistry","2016","55","1","104","113","10.1021/acs.inorgchem.5b01904","","","0.71073","MoKα","","0.016","0.0156","","","0.0414","0.0418","","","","","","1.058","","","","has coordinates","231911","2020-10-21","18:00:00",""
"4346661","12.7912","0.0003","12.9643","0.0003","13.1949","0.0003","76.672","0.001","69.999","0.001","60.895","0.001","1791","0.07","133","2","133","2","","","","","","","","7","P -1","-P 1","2","","","","- C24 H45 Br2 Mn2 N3 O9 S3 -","- C24 H45 Br2 Mn2 N3 O9 S3 -","- C48 H90 Br4 Mn4 N6 O18 S6 -","2","1","","Mede, Ralf; Klein, Moritz; Claus, Ralf A.; Krieck, Sven; Quickert, Stefanie; Görls, Helmar; Neugebauer, Ute; Schmitt, Michael; Gessner, Guido; Heinemann, Stefan H.; Popp, Jürgen; Bauer, Michael; Westerhausen, Matthias","CORM-EDE1: A Highly Water-Soluble and Nontoxic Manganese-Based photoCORM with a Biogenic Ligand Sphere.","Inorganic chemistry","2016","55","1","104","113","10.1021/acs.inorgchem.5b01904","","","0.71073","MoKα","","0.0431","0.0372","","","0.0824","0.0869","","","","","","1.074","","","","has coordinates","231911","2020-10-21","18:00:00",""
"4346662","13.4522","0.0003","13.9794","0.0003","14.5981","0.0003","90","","90","","90","","2745.23","0.1","133","2","133","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C24 H21 Mn2 N3 O7 S3 -","- C24 H21 Mn2 N3 O7 S3 -","- C96 H84 Mn8 N12 O28 S12 -","4","1","","Mede, Ralf; Klein, Moritz; Claus, Ralf A.; Krieck, Sven; Quickert, Stefanie; Görls, Helmar; Neugebauer, Ute; Schmitt, Michael; Gessner, Guido; Heinemann, Stefan H.; Popp, Jürgen; Bauer, Michael; Westerhausen, Matthias","CORM-EDE1: A Highly Water-Soluble and Nontoxic Manganese-Based photoCORM with a Biogenic Ligand Sphere.","Inorganic chemistry","2016","55","1","104","113","10.1021/acs.inorgchem.5b01904","","","0.71073","MoKα","","0.0352","0.032","","","0.0673","0.069","","","","","","1.09","","","","has coordinates","231911","2020-10-21","18:00:00",""
"4346663","12.5315","0.0002","13.2913","0.0002","13.5195","0.0002","91.901","0.001","92.247","0.001","112.733","0.001","2072.43","0.06","150","2","150","2","","","","","","","","8","P -1","-P 1","2","","","","- C47 H33 Br Cl Mo N8 O2 Sn -","- C47 H33 Br Cl Mo N8 O2 Sn -","- C94 H66 Br2 Cl2 Mo2 N16 O4 Sn2 -","2","1","","Konarev, Dmitri V.; Kuzmin, Alexey V.; Nakano, Yoshiaki; Faraonov, Maxim A.; Khasanov, Salavat S.; Otsuka, Akihiro; Yamochi, Hideki; Saito, Gunzi; Lyubovskaya, Rimma N.","Coordination Complexes of Transition Metals (M = Mo, Fe, Rh, and Ru) with Tin(II) Phthalocyanine in Neutral, Monoanionic, and Dianionic States.","Inorganic chemistry","2016","55","4","1390","1402","10.1021/acs.inorgchem.5b01906","","","0.71073","MoKα","","0.0387","0.0343","","","0.0949","0.1006","","","","","","1.072","","","","has coordinates,has disorder","231912","2020-10-21","18:00:00",""
"4346664","13.4963","0.0002","22.4928","0.0002","34.7416","0.0005","90","","90","","90","","10546.5","0.2","150","2","150","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C56 H56 Cl2 N10 Na O6 Sn -","- C56 H56 Cl2 N10 Na O6 Sn -","- C448 H448 Cl16 N80 Na8 O48 Sn8 -","8","2","","Konarev, Dmitri V.; Kuzmin, Alexey V.; Nakano, Yoshiaki; Faraonov, Maxim A.; Khasanov, Salavat S.; Otsuka, Akihiro; Yamochi, Hideki; Saito, Gunzi; Lyubovskaya, Rimma N.","Coordination Complexes of Transition Metals (M = Mo, Fe, Rh, and Ru) with Tin(II) Phthalocyanine in Neutral, Monoanionic, and Dianionic States.","Inorganic chemistry","2016","55","4","1390","1402","10.1021/acs.inorgchem.5b01906","","x-ray","0.71073","MoKα","","0.0854","0.0592","","","0.1366","0.1502","","","","","","1.043","","","","has coordinates,has disorder","231912","2020-10-21","18:00:00",""
"4346665","11.3884","0.0003","22.9569","0.0007","23.6336","0.0007","90","","90.574","0.002","90","","6178.5","0.3","150","2","150","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C66 H63 Cl3 Fe N10 Na O8 Sn -","- C66 H63 Cl3 Fe N10 Na O8 Sn -","- C264 H252 Cl12 Fe4 N40 Na4 O32 Sn4 -","4","1","","Konarev, Dmitri V.; Kuzmin, Alexey V.; Nakano, Yoshiaki; Faraonov, Maxim A.; Khasanov, Salavat S.; Otsuka, Akihiro; Yamochi, Hideki; Saito, Gunzi; Lyubovskaya, Rimma N.","Coordination Complexes of Transition Metals (M = Mo, Fe, Rh, and Ru) with Tin(II) Phthalocyanine in Neutral, Monoanionic, and Dianionic States.","Inorganic chemistry","2016","55","4","1390","1402","10.1021/acs.inorgchem.5b01906","","x-ray","0.71073","MoKα","","0.0758","0.0472","","","0.1043","0.1172","","","","","","1.021","","","","has coordinates,has disorder","231912","2020-10-21","18:00:00",""
"4346666","13.3558","0.0003","37.2399","0.0006","16.3799","0.0003","90","","98.649","0.002","90","","8054.2","0.3","150","2","150","2","","","","","","","","8","P 1 21/m 1","-P 2yb","11","","","","- C168 H160 Cl2 Fe3 N30 Na3 O30 Sn3 -","- C168 H160 Cl2 Fe3 N30 Na3 O30 Sn3 -","- C336 H320 Cl4 Fe6 N60 Na6 O60 Sn6 -","2","0.5","","Konarev, Dmitri V.; Kuzmin, Alexey V.; Nakano, Yoshiaki; Faraonov, Maxim A.; Khasanov, Salavat S.; Otsuka, Akihiro; Yamochi, Hideki; Saito, Gunzi; Lyubovskaya, Rimma N.","Coordination Complexes of Transition Metals (M = Mo, Fe, Rh, and Ru) with Tin(II) Phthalocyanine in Neutral, Monoanionic, and Dianionic States.","Inorganic chemistry","2016","55","4","1390","1402","10.1021/acs.inorgchem.5b01906","","x-ray","0.71073","MoKα","","0.089","0.0587","","","0.1199","0.1322","","","","","","1.047","","","","has coordinates,has disorder","231912","2020-10-21","18:00:00",""
"4346667","17.0023","0.0004","17.4314","0.0005","17.7859","0.0003","85.695","0.002","88.189","0.002","77.512","0.002","5131.4","0.2","150","2","150","2","","","","","","","","8","P -1","-P 1","2","","","","- C110 H87 Cl7 Mo N18 Na O8 Sn2 -","- C110 H87 Cl7 Mo N18 Na O8 Sn2 -","- C220 H174 Cl14 Mo2 N36 Na2 O16 Sn4 -","2","1","","Konarev, Dmitri V.; Kuzmin, Alexey V.; Nakano, Yoshiaki; Faraonov, Maxim A.; Khasanov, Salavat S.; Otsuka, Akihiro; Yamochi, Hideki; Saito, Gunzi; Lyubovskaya, Rimma N.","Coordination Complexes of Transition Metals (M = Mo, Fe, Rh, and Ru) with Tin(II) Phthalocyanine in Neutral, Monoanionic, and Dianionic States.","Inorganic chemistry","2016","55","4","1390","1402","10.1021/acs.inorgchem.5b01906","","x-ray","0.71073","MoKα","","0.1143","0.0623","","","0.1455","0.1779","","","","","","1.04","","","","has coordinates,has disorder","231912","2020-10-21","18:00:00",""
"4346668","13.0896","0.0001","26.0217","0.0003","18.9023","0.0002","90","","95.741","0.001","90","","6406.09","0.11","180","2","180","2","","","","","","","","8","P 1 21 1","P 2yb","4","","","","- C66 H71 Cl4 N10 Na O6 Rh Sn -","- C66 H71 Cl4 N10 Na O6 Rh Sn -","- C264 H284 Cl16 N40 Na4 O24 Rh4 Sn4 -","4","2","","Konarev, Dmitri V.; Kuzmin, Alexey V.; Nakano, Yoshiaki; Faraonov, Maxim A.; Khasanov, Salavat S.; Otsuka, Akihiro; Yamochi, Hideki; Saito, Gunzi; Lyubovskaya, Rimma N.","Coordination Complexes of Transition Metals (M = Mo, Fe, Rh, and Ru) with Tin(II) Phthalocyanine in Neutral, Monoanionic, and Dianionic States.","Inorganic chemistry","2016","55","4","1390","1402","10.1021/acs.inorgchem.5b01906","","x-ray","0.71073","MoKα","","0.067","0.0477","","","0.0891","0.0964","","","","","","1.031","","","","has coordinates","231912","2020-10-21","18:00:00",""
"4346669","11.9653","0.0004","12.4086","0.0005","19.4571","0.0006","75.005","0.003","72.626","0.003","73.457","0.003","2594.84","0.17","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C69 H41 N8 O2 Ru Sn -","- C69 H41 N8 O2 Ru Sn -","- C138 H82 N16 O4 Ru2 Sn2 -","2","1","","Konarev, Dmitri V.; Kuzmin, Alexey V.; Nakano, Yoshiaki; Faraonov, Maxim A.; Khasanov, Salavat S.; Otsuka, Akihiro; Yamochi, Hideki; Saito, Gunzi; Lyubovskaya, Rimma N.","Coordination Complexes of Transition Metals (M = Mo, Fe, Rh, and Ru) with Tin(II) Phthalocyanine in Neutral, Monoanionic, and Dianionic States.","Inorganic chemistry","2016","55","4","1390","1402","10.1021/acs.inorgchem.5b01906","","x-ray","0.71073","MoKα","","0.0422","0.0312","","","0.0728","0.0775","","","","","","1.057","","","","has coordinates","231912","2020-10-21","18:00:00",""
"4346699","10.0004","0.0005","13.5182","0.0006","13.6069","0.0007","103.422","0.002","94.949","0.003","104.926","0.002","1707.87","0.15","296","2","296","2","","","","","","","","6","P 1","P 1","1","","","","- C32 H58 Co3 Mo10 N4 O57 -","- C32 H28 Co3 Mo10 N4 O57 -","- C32 H28 Co3 Mo10 N4 O57 -","1","1","","An, Haiyan; Wang, Lin; Hu, Ying; Xu, Tieqi; Hou, Yujiao","Spontaneous Resolution of Evans-Showell-Type Polyoxometalates in Constructing Chiral Inorganic-Organic Hybrid Architectures.","Inorganic chemistry","2016","55","1","144","153","10.1021/acs.inorgchem.5b01994","","","0.71073","MoKα","","0.0232","0.0221","","","0.0561","0.057","","","","","","1.031","","","","has coordinates,has disorder","231932","2020-10-21","18:00:00",""
"4346700","9.9816","0.0011","13.5063","0.0015","13.6154","0.0015","103.21","0.008","94.992","0.007","104.815","0.008","1706.8","0.3","296","2","296","2","","","","","","","","6","P 1","P 1","1","","","","- C32 H58 Co3 Mo10 N4 O57 -","- C32 H28 Co3 Mo10 N4 O57 -","- C32 H28 Co3 Mo10 N4 O57 -","1","1","","An, Haiyan; Wang, Lin; Hu, Ying; Xu, Tieqi; Hou, Yujiao","Spontaneous Resolution of Evans-Showell-Type Polyoxometalates in Constructing Chiral Inorganic-Organic Hybrid Architectures.","Inorganic chemistry","2016","55","1","144","153","10.1021/acs.inorgchem.5b01994","","","0.71073","MoKα","","0.0724","0.0534","","","0.1326","0.1532","","","","","","1.033","","","","has coordinates","231932","2020-10-21","18:00:00",""
"4346701","9.9915","0.0011","13.523","0.0014","13.6152","0.0017","103.316","0.01","94.821","0.01","104.847","0.008","1710.3","0.4","296","2","296","2","","","","","","","","6","P 1","P 1","1","","","","- C32 H58 Co3 Mo10 N4 O57 -","- C32 H28 Co3 Mo10 N4 O57 -","- C32 H28 Co3 Mo10 N4 O57 -","1","1","","An, Haiyan; Wang, Lin; Hu, Ying; Xu, Tieqi; Hou, Yujiao","Spontaneous Resolution of Evans-Showell-Type Polyoxometalates in Constructing Chiral Inorganic-Organic Hybrid Architectures.","Inorganic chemistry","2016","55","1","144","153","10.1021/acs.inorgchem.5b01994","","","0.71073","MoKα","","0.067","0.0502","","","0.1223","0.1369","","","","","","1.029","","","","has coordinates","231932","2020-10-21","18:00:00",""
"4346702","10.033","0.003","13.529","0.005","13.644","0.004","103.75","0.03","95.18","0.02","105.5","0.02","1709.9","1","296","2","296","2","","","","","","","","6","P 1","P 1","1","","","","- C32 H58 Co3 Mo10 N4 O57 -","- C32 H28 Co3 Mo10 N4 O57 -","- C32 H28 Co3 Mo10 N4 O57 -","1","1","","An, Haiyan; Wang, Lin; Hu, Ying; Xu, Tieqi; Hou, Yujiao","Spontaneous Resolution of Evans-Showell-Type Polyoxometalates in Constructing Chiral Inorganic-Organic Hybrid Architectures.","Inorganic chemistry","2016","55","1","144","153","10.1021/acs.inorgchem.5b01994","","","0.71073","MoKα","","0.116","0.085","","","0.2324","0.2909","","","","","","1.124","","","","has coordinates","231932","2020-10-21","18:00:00",""
"4346703","9.9986","0.0007","13.5237","0.0009","13.6298","0.0011","103.233","0.004","94.934","0.004","104.774","0.004","1714.2","0.2","296","2","296","2","","","","","","","","6","P 1","P 1","1","","","","- C32 H58 Co3 Mo10 N4 O57 -","- C32 H28 Co3 Mo10 N4 O57 -","- C32 H28 Co3 Mo10 N4 O57 -","1","1","","An, Haiyan; Wang, Lin; Hu, Ying; Xu, Tieqi; Hou, Yujiao","Spontaneous Resolution of Evans-Showell-Type Polyoxometalates in Constructing Chiral Inorganic-Organic Hybrid Architectures.","Inorganic chemistry","2016","55","1","144","153","10.1021/acs.inorgchem.5b01994","","","0.71073","MoKα","","0.0542","0.0453","","","0.1136","0.1229","","","","","","1.022","","","","has coordinates","231932","2020-10-21","18:00:00",""
"4346704","9.9886","0.0012","13.5037","0.0012","13.5899","0.0019","103.37","0.007","94.808","0.007","104.838","0.007","1703.8","0.4","296","2","296","2","","","","","","","","6","P 1","P 1","1","","","","- C32 H58 Co3 Mo10 N4 O57 -","- C32 H28 Co3 Mo10 N4 O57 -","- C32 H28 Co3 Mo10 N4 O57 -","1","1","","An, Haiyan; Wang, Lin; Hu, Ying; Xu, Tieqi; Hou, Yujiao","Spontaneous Resolution of Evans-Showell-Type Polyoxometalates in Constructing Chiral Inorganic-Organic Hybrid Architectures.","Inorganic chemistry","2016","55","1","144","153","10.1021/acs.inorgchem.5b01994","","","0.71073","MoKα","","0.0645","0.0529","","","0.1352","0.15","","","","","","1.035","","","","has coordinates","231932","2020-10-21","18:00:00",""
"4346705","9.9987","0.0008","13.5007","0.0009","13.6219","0.0009","103.265","0.005","94.975","0.006","104.86","0.005","1709.1","0.2","296","2","296","2","","","","","","","","6","P 1","P 1","1","","","","- C32 H58 Co3 Mo10 N4 O57 -","- C32 H28 Co3 Mo10 N4 O57 -","- C32 H28 Co3 Mo10 N4 O57 -","1","1","","An, Haiyan; Wang, Lin; Hu, Ying; Xu, Tieqi; Hou, Yujiao","Spontaneous Resolution of Evans-Showell-Type Polyoxometalates in Constructing Chiral Inorganic-Organic Hybrid Architectures.","Inorganic chemistry","2016","55","1","144","153","10.1021/acs.inorgchem.5b01994","","","0.71073","MoKα","","0.0725","0.0556","","","0.14","0.1575","","","","","","1.022","","","","has coordinates","231932","2020-10-21","18:00:00",""
"4346706","9.9966","0.0004","13.506","0.0006","13.6147","0.0006","103.303","0.003","95.009","0.003","104.796","0.003","1708.57","0.13","296","2","296","2","","","","","","","","6","P 1","P 1","1","","","","- C32 H58 Co3 Mo10 N4 O57 -","- C32 H28 Co3 Mo10 N4 O57 -","- C32 H28 Co3 Mo10 N4 O57 -","1","1","","An, Haiyan; Wang, Lin; Hu, Ying; Xu, Tieqi; Hou, Yujiao","Spontaneous Resolution of Evans-Showell-Type Polyoxometalates in Constructing Chiral Inorganic-Organic Hybrid Architectures.","Inorganic chemistry","2016","55","1","144","153","10.1021/acs.inorgchem.5b01994","","","0.71073","MoKα","","0.0562","0.0472","","","0.1119","0.12","","","","","","1.027","","","","has coordinates","231932","2020-10-21","18:00:00",""
"4346707","10.2725","0.0008","14.137","0.0011","30.687","0.003","97.473","0.005","97.513","0.005","109.476","0.004","4092.9","0.6","220","2","220","2","","","","","","","","6","P -1","-P 1","2","","","","- C48 H72 Co2 Mo10 N6 O60 -","- C48 H42 Co2 Mo10 N6 O60 -","- C96 H84 Co4 Mo20 N12 O120 -","2","1","","An, Haiyan; Wang, Lin; Hu, Ying; Xu, Tieqi; Hou, Yujiao","Spontaneous Resolution of Evans-Showell-Type Polyoxometalates in Constructing Chiral Inorganic-Organic Hybrid Architectures.","Inorganic chemistry","2016","55","1","144","153","10.1021/acs.inorgchem.5b01994","","","0.71073","MoKα","","0.1315","0.1171","","","0.2955","0.3046","","","","","","1.05","","","","has coordinates","231933","2020-10-21","18:00:00",""
"4346708","9.9905","0.0005","13.5089","0.001","13.589","0.0012","103.299","0.004","94.963","0.004","104.892","0.003","1704","0.2","296","2","296","2","","","","","","","","6","P 1","P 1","1","","","","- C32 H58 Co3 Mo10 N4 O57 -","- C32 H28 Co3 Mo10 N4 O57 -","- C32 H28 Co3 Mo10 N4 O57 -","1","1","","An, Haiyan; Wang, Lin; Hu, Ying; Xu, Tieqi; Hou, Yujiao","Spontaneous Resolution of Evans-Showell-Type Polyoxometalates in Constructing Chiral Inorganic-Organic Hybrid Architectures.","Inorganic chemistry","2016","55","1","144","153","10.1021/acs.inorgchem.5b01994","","","0.71073","MoKα","","0.0289","0.0265","","","0.0637","0.0657","","","","","","1.039","","","","has coordinates","231933","2020-10-21","18:00:00",""
"4346709","9.9965","0.0006","13.5184","0.0009","13.6264","0.0009","103.428","0.004","94.888","0.003","104.87","0.004","1710.4","0.2","296","2","296","2","","","","","","","","6","P 1","P 1","1","","","","- C32 H58 Co3 Mo10 N4 O57 -","- C32 H28 Co3 Mo10 N4 O57 -","- C32 H28 Co3 Mo10 N4 O57 -","1","1","","An, Haiyan; Wang, Lin; Hu, Ying; Xu, Tieqi; Hou, Yujiao","Spontaneous Resolution of Evans-Showell-Type Polyoxometalates in Constructing Chiral Inorganic-Organic Hybrid Architectures.","Inorganic chemistry","2016","55","1","144","153","10.1021/acs.inorgchem.5b01994","","","0.71073","MoKα","","0.0409","0.0377","","","0.0995","0.102","","","","","","1.026","","","","has coordinates","231933","2020-10-21","18:00:00",""
"4346710","9.9724","0.0009","13.5235","0.0014","13.5824","0.0015","103.364","0.005","94.848","0.006","104.852","0.005","1702.4","0.3","296","2","296","2","","","","","","","","7","P 1","P 1","1","","","","- C32 H58 Co2 Mo10 N4 Ni O57 -","- C32 H28 Co2 Mo10 N4 Ni O57 -","- C32 H28 Co2 Mo10 N4 Ni O57 -","1","1","","An, Haiyan; Wang, Lin; Hu, Ying; Xu, Tieqi; Hou, Yujiao","Spontaneous Resolution of Evans-Showell-Type Polyoxometalates in Constructing Chiral Inorganic-Organic Hybrid Architectures.","Inorganic chemistry","2016","55","1","144","153","10.1021/acs.inorgchem.5b01994","","","0.71073","MoKα","","0.0247","0.0238","","","0.0616","0.0623","","","","","","1.031","","","","has coordinates","231933","2020-10-21","18:00:00",""
"4346711","10.016","0.002","13.492","0.002","13.691","0.002","104.126","0.01","94.269","0.012","104.85","0.011","1715.7","0.5","296","2","296","2","","","","","","","","7","P 1","P 1","1","","","","- C32 H58 Co2 Cu Mo10 N4 O57 -","- C32 H28 Co2 Cu Mo10 N4 O57 -","- C32 H28 Co2 Cu Mo10 N4 O57 -","1","1","","An, Haiyan; Wang, Lin; Hu, Ying; Xu, Tieqi; Hou, Yujiao","Spontaneous Resolution of Evans-Showell-Type Polyoxometalates in Constructing Chiral Inorganic-Organic Hybrid Architectures.","Inorganic chemistry","2016","55","1","144","153","10.1021/acs.inorgchem.5b01994","","","0.71073","MoKα","","0.0314","0.0287","","","0.0706","0.0726","","","","","","1.027","","","","has coordinates","231933","2020-10-21","18:00:00",""
"4346712","9.9857","0.0007","13.5087","0.0008","13.6003","0.0008","103.337","0.003","94.837","0.004","104.866","0.003","1705.16","0.19","296","2","296","2","","","","","","","","7","P 1","P 1","1","","","","- C32 H58 Co2 Mo10 N4 O57 Zn -","- C32 H28 Co2 Mo10 N4 O57 Zn -","- C32 H28 Co2 Mo10 N4 O57 Zn -","1","1","","An, Haiyan; Wang, Lin; Hu, Ying; Xu, Tieqi; Hou, Yujiao","Spontaneous Resolution of Evans-Showell-Type Polyoxometalates in Constructing Chiral Inorganic-Organic Hybrid Architectures.","Inorganic chemistry","2016","55","1","144","153","10.1021/acs.inorgchem.5b01994","","","0.71073","MoKα","","0.0221","0.0214","","","0.0574","0.0581","","","","","","1.039","","","","has coordinates","231933","2020-10-21","18:00:00",""
"4346713","10.0028","0.0002","13.5442","0.0002","13.6499","0.0002","103.434","0.001","94.737","0.001","104.884","0.001","1718.32","0.05","296","2","296","2","","","","","","","","7","P 1","P 1","1","","","","- C32 H58 Cd Co2 Mo10 N4 O57 -","- C32 H28 Cd Co2 Mo10 N4 O57 -","- C32 H28 Cd Co2 Mo10 N4 O57 -","1","1","","An, Haiyan; Wang, Lin; Hu, Ying; Xu, Tieqi; Hou, Yujiao","Spontaneous Resolution of Evans-Showell-Type Polyoxometalates in Constructing Chiral Inorganic-Organic Hybrid Architectures.","Inorganic chemistry","2016","55","1","144","153","10.1021/acs.inorgchem.5b01994","","","0.71073","MoKα","","0.0252","0.0238","","","0.0626","0.0636","","","","","","1.026","","","","has coordinates","231933","2020-10-21","18:00:00",""
"4346722","18.3393","0.0004","18.9149","0.0003","21.2275","0.0003","91.1721","0.0013","114.727","0.0017","118.837","0.0019","5625.8","0.3","110","2","110","2","","","","","","","","8","P -1","-P 1","2","","","","- C101.53 H116.06 Cl5.06 F9 Mn N7 O11 S3 -","- C101.528 H116.056 Cl5.056 F9 Mn N7 O11 S3 -","- C203.056 H232.112 Cl10.112 F18 Mn2 N14 O22 S6 -","2","1","","Jung, Jieun; Neu, Heather M.; Leeladee, Pannee; Siegler, Maxime A.; Ohkubo, Kei; Goldberg, David P.; Fukuzumi, Shunichi","Photocatalytic Oxygenation of Substrates by Dioxygen with Protonated Manganese(III) Corrolazine.","Inorganic chemistry","2016","55","7","3218","3228","10.1021/acs.inorgchem.5b02019","","","1.54178","CuKα","","0.0524","0.05","","","0.1381","0.1403","","","","","","1.036","","","","has coordinates,has disorder","231936","2020-10-21","18:00:00",""
"4346723","19.9174","0.0005","21.8922","0.0004","20.3238","0.0005","90","","110.584","0.003","90","","8296.1","0.4","110","2","110","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C97 H105 F3 Mn N7 O3 S -","- C97 H105 F3 Mn N7 O3 S -","- C388 H420 F12 Mn4 N28 O12 S4 -","4","1","","Jung, Jieun; Neu, Heather M.; Leeladee, Pannee; Siegler, Maxime A.; Ohkubo, Kei; Goldberg, David P.; Fukuzumi, Shunichi","Photocatalytic Oxygenation of Substrates by Dioxygen with Protonated Manganese(III) Corrolazine.","Inorganic chemistry","2016","55","7","3218","3228","10.1021/acs.inorgchem.5b02019","","","0.71073","MoKα","","0.0977","0.0624","","","0.1552","0.1734","","","","","","1.041","","","","has coordinates,has disorder","231937","2020-10-21","18:00:00",""
"4346730","9.8856","0.0013","10.1476","0.0013","15.386","0.002","72.931","0.002","79.621","0.002","89.431","0.002","1449.8","0.3","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H40 N5 Ni S4 -","- C24 H40 N5 Ni S4 -","- C48 H80 N10 Ni2 S8 -","2","1","","Kennedy, Steven R.; Goyal, Puja; Kozar, Morgan N.; Yennawar, Hemant P.; Hammes-Schiffer, Sharon; Lear, Benjamin J.","Effect of Protonation upon Electronic Coupling in the Mixed Valence and Mixed Protonated Complex, [Ni(2,3-pyrazinedithiol)2].","Inorganic chemistry","2016","55","4","1433","1445","10.1021/acs.inorgchem.5b02035","","","0.71073","MoKα","","0.0943","0.0605","","","0.1248","0.1387","","","","","","1.031","","","","has coordinates","231940","2020-10-21","18:00:00",""
"4346731","7.9683","0.0019","20.411","0.005","14.249","0.004","90","","97.122","0.005","90","","2299.6","1","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H38 N3 Ni0.5 S2 -","- C20 H38 N3 Ni0.5 S2 -","- C80 H152 N12 Ni2 S8 -","4","1","","Kennedy, Steven R.; Goyal, Puja; Kozar, Morgan N.; Yennawar, Hemant P.; Hammes-Schiffer, Sharon; Lear, Benjamin J.","Effect of Protonation upon Electronic Coupling in the Mixed Valence and Mixed Protonated Complex, [Ni(2,3-pyrazinedithiol)2].","Inorganic chemistry","2016","55","4","1433","1445","10.1021/acs.inorgchem.5b02035","","","0.71073","MoKα","","0.1303","0.0659","","","0.1446","0.1722","","","","","","1.014","","","","has coordinates","231941","2020-10-21","18:00:00",""
"4346735","9.9182","0.0008","10.2696","0.0007","12.2226","0.0009","75.023","0.006","73.496","0.007","83.654","0.006","1152.18","0.16","150","0.1","150","0.1","","","","","","","","5","P -1","-P 1","2","nno_na","","","- C50 H66 N4 Na2 O4 -","- C50 H66 N4 Na2 O4 -","- C50 H66 N4 Na2 O4 -","1","0.5","","Ou, Hsiu-Wei; Lo, Kai-Hsuan; Du, Wei-Ting; Lu, Wei-Yi; Chuang, Wan-Jung; Huang, Bor-Hunn; Chen, Hsuan-Ying; Lin, Chu-Chieh","Synthesis of Sodium Complexes Supported with NNO-Tridentate Schiff Base Ligands and Their Applications in the Ring-Opening Polymerization of L-Lactide.","Inorganic chemistry","2016","55","4","1423","1432","10.1021/acs.inorgchem.5b02043","","","0.71073","MoKα","","0.0618","0.0484","","","0.1654","0.1822","","","","","","1.043","","","","has coordinates","289785","2024-02-12","08:29:28",""
"4346736","9.9724","0.0006","10.4059","0.0009","12.3474","0.0009","74.716","0.007","72.856","0.006","82.905","0.006","1179.61","0.16","150","2","150","2","","","","","","","","6","P -1","-P 1","2","naphcl","","","- C50 H64 Cl2 N4 Na2 O4 -","- C50 H64 Cl2 N4 Na2 O4 -","- C50 H64 Cl2 N4 Na2 O4 -","1","0.5","","Ou, Hsiu-Wei; Lo, Kai-Hsuan; Du, Wei-Ting; Lu, Wei-Yi; Chuang, Wan-Jung; Huang, Bor-Hunn; Chen, Hsuan-Ying; Lin, Chu-Chieh","Synthesis of Sodium Complexes Supported with NNO-Tridentate Schiff Base Ligands and Their Applications in the Ring-Opening Polymerization of L-Lactide.","Inorganic chemistry","2016","55","4","1423","1432","10.1021/acs.inorgchem.5b02043","","","0.71073","MoKα","","0.0747","0.0457","","","0.0864","0.0968","","","","","","1.008","","","","has coordinates,has disorder","289785","2024-02-12","08:29:28",""
"4346741","11.627","0.002","15.143","0.004","23.591","0.004","100.779","0.014","94.543","0.011","99.059","0.014","4004.1","1.5","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C42 H30 Cl2 Fe N10 O10 -","- C42 H30 Cl2 Fe N10 O10 -","- C168 H120 Cl8 Fe4 N40 O40 -","4","2","","Barrios, Leoní A; Bartual-Murgui, Carlos; Peyrecave-Lleixà, Eugènia; Le Guennic, Boris; Teat, Simon J.; Roubeau, Olivier; Aromí, Guillem","Homoleptic versus Heteroleptic Formation of Mononuclear Fe(II) Complexes with Tris-Imine Ligands.","Inorganic chemistry","2016","55","9","4110","4116","10.1021/acs.inorgchem.5b02058","","","0.7749","synchrotron","","0.1976","0.1725","","","0.4277","0.4434","","","","","","1.328","","","","has coordinates","231946","2020-10-21","18:00:00",""
"4346742","8.471","0.006","22.725","0.018","10.833","0.008","90","","103.12","0.016","90","","2031","3","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C41 H33 Cl3 Fe N8 O11 -","- C41 H33 Cl3 Fe N8 O11 -","- C82 H66 Cl6 Fe2 N16 O22 -","2","1","","Barrios, Leoní A; Bartual-Murgui, Carlos; Peyrecave-Lleixà, Eugènia; Le Guennic, Boris; Teat, Simon J.; Roubeau, Olivier; Aromí, Guillem","Homoleptic versus Heteroleptic Formation of Mononuclear Fe(II) Complexes with Tris-Imine Ligands.","Inorganic chemistry","2016","55","9","4110","4116","10.1021/acs.inorgchem.5b02058","","","0.71073","MoKα","","0.0713","0.0493","","","0.0758","0.0835","","","","","","0.988","","","","has coordinates","231947","2020-10-21","18:00:00",""
"4346743","8.6059","0.0004","23.091","0.0009","10.8988","0.0004","90","","103.08","0.003","90","","2109.61","0.15","350","2","350","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C41 H33 Cl3 Fe N8 O11 -","- C41 H33 Cl3 Fe N8 O11 -","- C82 H66 Cl6 Fe2 N16 O22 -","2","1","","Barrios, Leoní A; Bartual-Murgui, Carlos; Peyrecave-Lleixà, Eugènia; Le Guennic, Boris; Teat, Simon J.; Roubeau, Olivier; Aromí, Guillem","Homoleptic versus Heteroleptic Formation of Mononuclear Fe(II) Complexes with Tris-Imine Ligands.","Inorganic chemistry","2016","55","9","4110","4116","10.1021/acs.inorgchem.5b02058","","","0.7749","synchrotron","","0.067","0.0479","","","0.1156","0.1262","","","","","","1","","","","has coordinates","231948","2020-10-21","18:00:00",""
"4346744","8.7293","0.0004","8.7613","0.0005","38.725","0.002","90","","91.95","0.003","90","","2960","0.3","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C30 H24 Cl2 Fe N6 O9 -","- C30 H22 Cl2 Fe N6 O9 -","- C120 H88 Cl8 Fe4 N24 O36 -","4","1","","Barrios, Leoní A; Bartual-Murgui, Carlos; Peyrecave-Lleixà, Eugènia; Le Guennic, Boris; Teat, Simon J.; Roubeau, Olivier; Aromí, Guillem","Homoleptic versus Heteroleptic Formation of Mononuclear Fe(II) Complexes with Tris-Imine Ligands.","Inorganic chemistry","2016","55","9","4110","4116","10.1021/acs.inorgchem.5b02058","","","0.7749","","","0.0878","0.0785","","","0.1769","0.18","","","","","","1.231","","","","has coordinates","231949","2020-10-21","18:00:00",""
"4346745","13.606","0.003","13.738","0.004","16.26","0.005","77.619","0.005","67.345","0.007","67.933","0.009","2590.7","1.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C51 H48 Cl2 Fe N10 O13 -","- C51 H48 Cl2 Fe N10 O13 -","- C102 H96 Cl4 Fe2 N20 O26 -","2","1","","Barrios, Leoní A; Bartual-Murgui, Carlos; Peyrecave-Lleixà, Eugènia; Le Guennic, Boris; Teat, Simon J.; Roubeau, Olivier; Aromí, Guillem","Homoleptic versus Heteroleptic Formation of Mononuclear Fe(II) Complexes with Tris-Imine Ligands.","Inorganic chemistry","2016","55","9","4110","4116","10.1021/acs.inorgchem.5b02058","","","0.7749","synchrotron","","0.0578","0.0472","","","0.1242","0.1323","","","","","","1.037","","","","has coordinates,has disorder","231950","2020-10-21","18:00:00",""
"4346746","10.0336","0.0015","14.763","0.002","14.922","0.002","86.654","0.003","80.519","0.003","72.032","0.003","2073.7","0.5","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C96 H118 N12 O2 Zn2 -","- C96 H118 N12 O2 Zn2 -","- C96 H118 N12 O2 Zn2 -","1","0.5","","Dey, Soumyajit; Sil, Debangsu; Pandit, Younis Ahmad; Rath, Sankar Prasad","Effect of Two Interacting Rings in Metalloporphyrin Dimers upon Stepwise Oxidations.","Inorganic chemistry","2016","55","7","3229","3238","10.1021/acs.inorgchem.5b02065","","","0.71073","MoKα","","0.0938","0.0716","","","0.174","0.1895","","","","","","1.033","","","","has coordinates,has disorder","231951","2020-10-21","18:00:00",""
"4346747","11","0.005","12.095","0.005","23.23","0.005","81.987","0.005","82.363","0.005","81.137","0.005","3004","2","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C74 H88 N8 Zn2 -","- C74 H88 N8 Zn2 -","- C148 H176 N16 Zn4 -","2","1","","Dey, Soumyajit; Sil, Debangsu; Pandit, Younis Ahmad; Rath, Sankar Prasad","Effect of Two Interacting Rings in Metalloporphyrin Dimers upon Stepwise Oxidations.","Inorganic chemistry","2016","55","7","3229","3238","10.1021/acs.inorgchem.5b02065","","","0.71069","MoKα","","0.1005","0.0628","","","0.131","0.1552","","","","","","1.031","","","","has coordinates","231952","2020-10-21","18:00:00",""
"4346748","17.995","0.002","19.272","0.003","22.366","0.003","90","","69.453","0.004","90","","7263.1","1.7","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C75 H93 Cl3 F6 N8 Sb -","- C75 H93 Cl3 F6 N8 Sb -","- C300 H372 Cl12 F24 N32 Sb4 -","4","1","","Dey, Soumyajit; Sil, Debangsu; Pandit, Younis Ahmad; Rath, Sankar Prasad","Effect of Two Interacting Rings in Metalloporphyrin Dimers upon Stepwise Oxidations.","Inorganic chemistry","2016","55","7","3229","3238","10.1021/acs.inorgchem.5b02065","","","0.71073","MoKα","","0.176","0.0838","","","0.191","0.2461","","","","","","0.982","","","","has coordinates,has disorder","231953","2020-10-21","18:00:00",""
"4346749","10.99","0.003","12.313","0.004","23.058","0.007","83.69","0.007","83.644","0.006","80.347","0.007","3043.8","1.6","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C74 H92 N8 -","- C74 H92 N8 -","- C148 H184 N16 -","2","1","","Dey, Soumyajit; Sil, Debangsu; Pandit, Younis Ahmad; Rath, Sankar Prasad","Effect of Two Interacting Rings in Metalloporphyrin Dimers upon Stepwise Oxidations.","Inorganic chemistry","2016","55","7","3229","3238","10.1021/acs.inorgchem.5b02065","","","0.71073","MoKα","","0.0755","0.049","","","0.1147","0.1278","","","","","","1.014","","","","has coordinates,has disorder","231954","2020-10-21","18:00:00",""
"4346750","27.198","0.009","13.915","0.005","21.678","0.005","90","","112.869","0.006","90","","7559","4","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C74 H92 F12 N8 O2 Sb2 Zn2 -","- C74 H92 F12 N8 O2 Sb2 Zn2 -","- C296 H368 F48 N32 O8 Sb8 Zn8 -","4","0.5","","Dey, Soumyajit; Sil, Debangsu; Pandit, Younis Ahmad; Rath, Sankar Prasad","Effect of Two Interacting Rings in Metalloporphyrin Dimers upon Stepwise Oxidations.","Inorganic chemistry","2016","55","7","3229","3238","10.1021/acs.inorgchem.5b02065","","","0.71069","MoKα","","0.0647","0.0484","","","0.1142","0.1237","","","","","","1.048","","","","has coordinates,has disorder","231955","2020-10-21","18:00:00",""
"4346757","7.5292","0.0009","7.5813","0.0009","18.337","0.002","85.9253","0.0017","85.6604","0.0017","70.044","0.0017","979.9","0.2","296","2","296","2","","","","","","","","6","P 1","P 1","1","FcCH2COOPc","","","- C45 H50 Cl2 Fe N4 O2 -","- C45 H50 Cl2 Fe N4 O2 -","- C45 H50 Cl2 Fe N4 O2 -","1","1","","Abe, Masaaki; Yamada, Hiroaki; Okawara, Toru; Fujitsuka, Mamoru; Majima, Tetsuro; Hisaeda, Yoshio","Covalently Attached Porphycene-Ferrocene Dyads: Synthesis, Redox-Switched Emission, and Observation of the Charge-Separated State.","Inorganic chemistry","2016","55","1","7","9","10.1021/acs.inorgchem.5b02078","","","0.71073","MoKα","","0.0479","0.0452","","","0.1077","0.1117","","","","","","1.026","","","","has coordinates","231962","2020-10-21","18:00:00",""
"4346794","17.436","0.006","15.492","0.005","11.082","0.004","90","","94.61","0.004","90","","2983.8","1.8","113","2","113","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","2","","","- C48 H68 Cl12 N4 W4 -","- C48 H68 Cl12 N4 W4 -","- C96 H136 Cl24 N8 W8 -","2","0.5","","Tanahashi, Hiromasa; Ikeda, Hideaki; Tsurugi, Hayato; Mashima, Kazushi","Synthesis and Characterization of Paramagnetic Tungsten Imido Complexes Bearing α-Diimine Ligands.","Inorganic chemistry","2016","55","4","1446","1452","10.1021/acs.inorgchem.5b02145","","","0.71075","MoKα","","0.0856","0.0461","","","0.0773","0.0919","","","","","","1.044","","","","has coordinates","231982","2020-10-21","18:00:00",""
"4346795","9.1419","0.0037","19.2878","0.0078","22.9034","0.0094","90","","99.7606","0.0047","90","","3980","3","113","","113","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C40 H57 Cl3 N3 W -","- C40 H57 Cl3 N3 W -","- C160 H228 Cl12 N12 W4 -","4","1","","Tanahashi, Hiromasa; Ikeda, Hideaki; Tsurugi, Hayato; Mashima, Kazushi","Synthesis and Characterization of Paramagnetic Tungsten Imido Complexes Bearing α-Diimine Ligands.","Inorganic chemistry","2016","55","4","1446","1452","10.1021/acs.inorgchem.5b02145","","","0.71075","MoKα","","0.0701","0.0644","","","0.1409","0.1482","","","","","","1.216","","","","has coordinates","231982","2020-10-21","18:00:00",""
"4346796","11.842","","12.9906","0.0005","20.7172","0.0008","89.723","0.009","73.401","0.009","73.312","0.008","2915.2","0.3","113","2","113","2","","","","","","","","5","P -1","-P 1","2","6","","","- C63 H84 Cl3 N3 W -","- C63 H84 Cl3 N3 W -","- C126 H168 Cl6 N6 W2 -","2","1","","Tanahashi, Hiromasa; Ikeda, Hideaki; Tsurugi, Hayato; Mashima, Kazushi","Synthesis and Characterization of Paramagnetic Tungsten Imido Complexes Bearing α-Diimine Ligands.","Inorganic chemistry","2016","55","4","1446","1452","10.1021/acs.inorgchem.5b02145","","","0.71075","MoKα","","0.0521","0.0424","","","0.0888","0.0984","","","","","","1.114","","","","has coordinates","231982","2020-10-21","18:00:00",""
"4346803","20.5598","0.0016","13.259","0.0015","15.011","0.0015","90","","116.722","0.005","90","","3655","0.6","300","","300","","","","1600000","","","","C.Stevens","4","C 1 2/c 1","-C 2yc","15","","","","- C48 H46 Cr2 N8 -","- C48 H46 Cr2 N8 -","- C192 H184 Cr8 N32 -","4","0.5","","Stevens, Charlotte J.; Prescimone, Alessandro; Tuna, Floriana; McInnes, Eric J. L.; Parsons, Simon; Morrison, Carole A.; Arnold, Polly L.; Love, Jason B.","Inter- versus Intramolecular Structural Manipulation of a Dichromium(II) Pacman Complex through Pressure Variation.","Inorganic chemistry","2016","55","1","214","220","10.1021/acs.inorgchem.5b02151","","","0.4859","Synchrotron-DiamondLightSourceBeamlineI19","","0.0747","0.05","","0.0603","0.0451","0.0451","","","","","","1.0708","","","","has coordinates","231990","2020-10-21","18:00:00",""
"4346804","21.171","0.002","13.5754","0.0017","15.7048","0.0018","90","","114.216","0.006","90","","4116.5","0.8","300","","300","","","","137000","","","","C.Stevens","4","C 1 2/c 1","-C 2yc","15","","","","- C48 H46 Cr2 N8 -","- C48 H46 Cr2 N8 -","- C192 H184 Cr8 N32 -","4","0.5","","Stevens, Charlotte J.; Prescimone, Alessandro; Tuna, Floriana; McInnes, Eric J. L.; Parsons, Simon; Morrison, Carole A.; Arnold, Polly L.; Love, Jason B.","Inter- versus Intramolecular Structural Manipulation of a Dichromium(II) Pacman Complex through Pressure Variation.","Inorganic chemistry","2016","55","1","214","220","10.1021/acs.inorgchem.5b02151","","","0.4859","Synchrotron-DiamondLightSourceBeamlineI19","","0.082","0.0578","","0.0939","0.0536","0.0536","","","","","","1.1886","","","","has coordinates","231991","2020-10-21","18:00:00",""
"4346805","20.274","0.002","13.0829","0.0016","14.7075","0.0018","90","","118.194","0.006","90","","3438.2","0.7","300","","300","","","","3000000","","","","C.Stevens","4","C 1 2/c 1","-C 2yc","15","","","","- C48 H46 Cr2 N8 -","- C48 H46 Cr2 N8 -","- C192 H184 Cr8 N32 -","4","0.5","","Stevens, Charlotte J.; Prescimone, Alessandro; Tuna, Floriana; McInnes, Eric J. L.; Parsons, Simon; Morrison, Carole A.; Arnold, Polly L.; Love, Jason B.","Inter- versus Intramolecular Structural Manipulation of a Dichromium(II) Pacman Complex through Pressure Variation.","Inorganic chemistry","2016","55","1","214","220","10.1021/acs.inorgchem.5b02151","","","0.4859","Synchrotron-DiamondLightSourceBeamlineI19","","0.0813","0.0607","","0.0842","0.0606","0.0606","","","","","","1.0057","","","","has coordinates","231992","2020-10-21","18:00:00",""
"4346806","20.448","0.0015","13.178","0.0012","14.8896","0.0013","90","","117.283","0.004","90","","3565.9","0.5","3000","","3000","","","","2100000","","","","C.Stevens","4","C 1 2/c 1","-C 2yc","15","","","","- C48 H46 Cr2 N8 -","- C48 H46 Cr2 N8 -","- C192 H184 Cr8 N32 -","4","0.5","","Stevens, Charlotte J.; Prescimone, Alessandro; Tuna, Floriana; McInnes, Eric J. L.; Parsons, Simon; Morrison, Carole A.; Arnold, Polly L.; Love, Jason B.","Inter- versus Intramolecular Structural Manipulation of a Dichromium(II) Pacman Complex through Pressure Variation.","Inorganic chemistry","2016","55","1","214","220","10.1021/acs.inorgchem.5b02151","","","0.4859","Synchrotron-DiamondLightSourceBeamlineI19","","0.0673","0.053","","0.0308","0.0241","0.0241","","","","","","1.0126","","","","has coordinates","231993","2020-10-21","18:00:00",""
"4346807","20.7681","0.0019","13.3809","0.0016","15.2439","0.0017","90","","115.64","0.006","90","","3819.1","0.7","300","","300","","","","860000","","","","C.Stevens","4","C 1 2/c 1","-C 2yc","15","","","","- C48 H46 Cr2 N8 -","- C48 H46 Cr2 N8 -","- C192 H184 Cr8 N32 -","4","0.5","","Stevens, Charlotte J.; Prescimone, Alessandro; Tuna, Floriana; McInnes, Eric J. L.; Parsons, Simon; Morrison, Carole A.; Arnold, Polly L.; Love, Jason B.","Inter- versus Intramolecular Structural Manipulation of a Dichromium(II) Pacman Complex through Pressure Variation.","Inorganic chemistry","2016","55","1","214","220","10.1021/acs.inorgchem.5b02151","","","0.4859","Synchrotron-DiamondLightSourceBeamlineI19","","0.0768","0.0526","","0.0652","0.0434","0.0434","","","","","","1.0958","","","","has coordinates","231994","2020-10-21","18:00:00",""
"4346808","9.209","0.005","9.664","0.006","9.664","0.004","91.015","0.011","92.098","0.009","112.038","0.017","796.2","0.7","173","","173","","","","","","","","","6","P -1","-P 1","2","","","","- C32 H26 Cu2 I2 N4 P2 -","- C32 H26 Cu2 I2 N4 P2 -","- C32 H26 Cu2 I2 N4 P2 -","1","0.5","","Kobayashi, Atsushi; Hasegawa, Tatsuya; Yoshida, Masaki; Kato, Masako","Environmentally Friendly Mechanochemical Syntheses and Conversions of Highly Luminescent Cu(I) Dinuclear Complexes.","Inorganic chemistry","2016","55","5","1978","1985","10.1021/acs.inorgchem.5b02160","","","0.71075","MoKα","","0.0263","0.0214","","","0.0499","0.0521","","","","","","1.036","","","","has coordinates","231995","2020-10-21","18:00:00",""
"4346809","9.245","0.007","14.413","0.011","16.143","0.012","90","","96.8169","0.001","90","","2136","3","173","","173","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C46 H36 Cu2 I2 N6 P2 -","- C46 H36 Cu2 I2 N6 P2 -","- C92 H72 Cu4 I4 N12 P4 -","2","0.5","","Kobayashi, Atsushi; Hasegawa, Tatsuya; Yoshida, Masaki; Kato, Masako","Environmentally Friendly Mechanochemical Syntheses and Conversions of Highly Luminescent Cu(I) Dinuclear Complexes.","Inorganic chemistry","2016","55","5","1978","1985","10.1021/acs.inorgchem.5b02160","","","0.71075","MoKα","","0.049","0.0365","","","0.0777","0.0848","","","","","","1.084","","","","has coordinates","231995","2020-10-21","18:00:00",""
"4346810","9.36","0.008","10.975","0.009","15.96","0.013","90","","92.936","0.012","90","","1637","2","173","","173","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C32 H26 Br2 Cu2 N4 P2 -","- C32 H26 Br2 Cu2 N4 P2 -","- C64 H52 Br4 Cu4 N8 P4 -","2","0.5","","Kobayashi, Atsushi; Hasegawa, Tatsuya; Yoshida, Masaki; Kato, Masako","Environmentally Friendly Mechanochemical Syntheses and Conversions of Highly Luminescent Cu(I) Dinuclear Complexes.","Inorganic chemistry","2016","55","5","1978","1985","10.1021/acs.inorgchem.5b02160","","","0.71075","MoKα","","0.0267","0.022","","","0.0565","0.0576","","","","","","1.067","","","","has coordinates","231995","2020-10-21","18:00:00",""
"4346811","9.253","0.004","10.817","0.004","15.702","0.006","90","","93.515","0.005","90","","1568.7","1.1","173","","173","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C32 H26 Cl2 Cu2 N4 P2 -","- C32 H26 Cl2 Cu2 N4 P2 -","- C64 H52 Cl4 Cu4 N8 P4 -","2","0.5","","Kobayashi, Atsushi; Hasegawa, Tatsuya; Yoshida, Masaki; Kato, Masako","Environmentally Friendly Mechanochemical Syntheses and Conversions of Highly Luminescent Cu(I) Dinuclear Complexes.","Inorganic chemistry","2016","55","5","1978","1985","10.1021/acs.inorgchem.5b02160","","","0.71075","MoKα","","0.0505","0.0377","","","0.0886","0.1165","","","","","","1.128","","","","has coordinates","231995","2020-10-21","18:00:00",""
"4346812","8.748","0.0012","9.7073","0.0013","22.427","0.003","90","","91.322","0.002","90","","1904","0.4","173","","173","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C36 H32 B2 Cu2 F8 N6 P2 -","- C36 H32 B2 Cu2 F8 N6 P2 -","- C72 H64 B4 Cu4 F16 N12 P4 -","2","0.5","","Kobayashi, Atsushi; Hasegawa, Tatsuya; Yoshida, Masaki; Kato, Masako","Environmentally Friendly Mechanochemical Syntheses and Conversions of Highly Luminescent Cu(I) Dinuclear Complexes.","Inorganic chemistry","2016","55","5","1978","1985","10.1021/acs.inorgchem.5b02160","","","0.71075","MoKα","","0.0668","0.0591","","","0.173","0.1812","","","","","","1.06","","","","has coordinates","231995","2020-10-21","18:00:00",""
"4346813","9.378","0.0003","29.2493","0.0009","10.2444","0.0003","90","","114.155","0.002","90","","2564","0.14","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C26 H21 Cl2 Ir N6 O2 -","- C26 H21 Cl2 Ir N6 O2 -","- C104 H84 Cl8 Ir4 N24 O8 -","4","1","","Pramanik, Shuvam; Roy, Sima; Ghorui, Tapas; Ganguly, Sanjib; Pramanik, Kausikisankar","Iridium(III) Mediated Reductive Transformation of Closed-Shell Azo-Oxime to Open-Shell Azo-Imine Radical Anion: Molecular and Electronic Structure, Electron Transfer, and Optoelectronic Properties.","Inorganic chemistry","2016","55","4","1461","1468","10.1021/acs.inorgchem.5b02185","","","0.71073","MoKα","","0.0366","0.0273","","","0.0545","0.0571","","","","","","1.085","","","","has coordinates","231996","2020-10-21","18:00:00",""
"4346814","17.6806","0.0008","10.342","0.0005","21.4946","0.001","90","","108.965","0.002","90","","3717","0.3","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C32 H36 Cl2 Ir N7 O2 -","- C32 H36 Cl2 Ir N7 O2 -","- C128 H144 Cl8 Ir4 N28 O8 -","4","1","","Pramanik, Shuvam; Roy, Sima; Ghorui, Tapas; Ganguly, Sanjib; Pramanik, Kausikisankar","Iridium(III) Mediated Reductive Transformation of Closed-Shell Azo-Oxime to Open-Shell Azo-Imine Radical Anion: Molecular and Electronic Structure, Electron Transfer, and Optoelectronic Properties.","Inorganic chemistry","2016","55","4","1461","1468","10.1021/acs.inorgchem.5b02185","","","0.71073","MoKα","","0.0704","0.0386","","","0.0803","0.0882","","","","","","0.971","","","","has coordinates,has disorder","231996","2020-10-21","18:00:00",""
"4346815","6.0663","0.0002","10.5287","0.0003","11.1541","0.0004","68.627","0.002","79.836","0.002","73.321","0.002","633.44","0.04","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H22 Cl2 Ir N6 -","- C26 H22 Cl2 Ir N6 -","- C26 H22 Cl2 Ir N6 -","1","0.5","","Pramanik, Shuvam; Roy, Sima; Ghorui, Tapas; Ganguly, Sanjib; Pramanik, Kausikisankar","Iridium(III) Mediated Reductive Transformation of Closed-Shell Azo-Oxime to Open-Shell Azo-Imine Radical Anion: Molecular and Electronic Structure, Electron Transfer, and Optoelectronic Properties.","Inorganic chemistry","2016","55","4","1461","1468","10.1021/acs.inorgchem.5b02185","","","0.71073","MoKα","","0.0374","0.035","","","0.0629","0.0643","","","","","","1.024","","","","has coordinates","231996","2020-10-21","18:00:00",""
"4346816","18.538","0.002","23.043","0.003","26.853","0.003","90","","106.012","0.005","90","","11026","2","100","2","100","2","","","","","","","","10","P 1 21/c 1","-P 2ybc","14","","","","- C9 H101 As2 Cs3 K N Na7 O111 Sb W19 -","- C9 H13 As2 Cs3.25 K0.875 N Na6 O93.75 Sb W19 -","- C36 H52 As8 Cs13 K3.5 N4 Na24 O375 Sb4 W76 -","4","1","","Yang, Peng; Lin, Zhengguo; Alfaro-Espinoza, Gabriela; Ullrich, Matthias S.; Raţ, Ciprian I; Silvestru, Cristian; Kortz, Ulrich","19-Tungstodiarsenate(III) Functionalized by Organoantimony(III) Groups: Tuning the Structure-Bioactivity Relationship.","Inorganic chemistry","2016","55","1","251","258","10.1021/acs.inorgchem.5b02189","","","0.71073","MoKα","","0.0555","0.0436","","","0.1244","0.1436","","","","","","1.06","","","","has coordinates","231997","2020-10-21","18:00:00",""
"4346817","14.816","0.005","20.578","0.007","24.911","0.007","102.645","0.014","93.51","0.013","95.638","0.017","7348","4","100","2","100","2","","","","","","","","9","P -1","-P 1","2","","","","- C9 H123 As3 K11.5 N O155 Rb2.5 Sb W29 -","- C9 H13 As3 K9.5 N O124 Rb3.25 Sb W29 -","- C18 H26 As6 K19 N2 O248 Rb6.5 Sb2 W58 -","2","1","","Yang, Peng; Lin, Zhengguo; Alfaro-Espinoza, Gabriela; Ullrich, Matthias S.; Raţ, Ciprian I; Silvestru, Cristian; Kortz, Ulrich","19-Tungstodiarsenate(III) Functionalized by Organoantimony(III) Groups: Tuning the Structure-Bioactivity Relationship.","Inorganic chemistry","2016","55","1","251","258","10.1021/acs.inorgchem.5b02189","","","0.71073","MoKα","","0.0656","0.0572","","","0.1657","0.1765","","","","","","1.007","","","","has coordinates","231998","2020-10-21","18:00:00",""
"4346818","14.5872","0.0015","15.7411","0.0017","24.766","0.003","79.206","0.006","80.71","0.005","77.719","0.005","5414.3","1.1","100","2","100","2","","","","","","","","9","P -1","-P 1","2","","","","- C27 H77 As2 K5.5 N3 O86 Rb2.5 Sb2 W19 -","- C27 H39 As2 K4.5 N3 O86 Rb2 Sb2 W19 -","- C54 H78 As4 K9 N6 O172 Rb4 Sb4 W38 -","2","1","","Yang, Peng; Lin, Zhengguo; Alfaro-Espinoza, Gabriela; Ullrich, Matthias S.; Raţ, Ciprian I; Silvestru, Cristian; Kortz, Ulrich","19-Tungstodiarsenate(III) Functionalized by Organoantimony(III) Groups: Tuning the Structure-Bioactivity Relationship.","Inorganic chemistry","2016","55","1","251","258","10.1021/acs.inorgchem.5b02189","","","0.71073","MoKα","","0.0453","0.0357","","","0.1138","0.1409","","","","","","1.031","","","","has coordinates","231999","2020-10-21","18:00:00",""
"4346824","7.2349","0.0005","23.7112","0.0015","30.5299","0.0019","90","","90","","90","","5237.3","0.6","298","2","298","2","","","","","","","","5","I b c a","-I 2b 2c","73","","","","- C12 H10 Ag2 N2 O5 -","- C12 H10 Ag2 N2 O5 -","- C192 H160 Ag32 N32 O80 -","16","1","","Yan, Zhi-Hao; Li, Xiao-Yu; Liu, Li-Wei; Yu, Si-Qi; Wang, Xing-Po; Sun, Di","Single-Crystal to Single-Crystal Phase Transition and Segmented Thermochromic Luminescence in a Dynamic 3D Interpenetrated Ag(I) Coordination Network.","Inorganic chemistry","2016","55","3","1096","1101","10.1021/acs.inorgchem.5b02200","","","0.71073","MoKα","","0.0415","0.0337","","","0.0779","0.0833","","","","","","1.06","","","","has coordinates","232005","2020-10-21","18:00:00",""
"4346825","7.2499","0.0006","23.7625","0.0017","30.735","0.002","90","","90","","90","","5294.9","0.7","263","2","263","2","","","","","","","","5","I b c a","-I 2b 2c","73","","","","- C12 H10 Ag2 N2 O5 -","- C12 H10 Ag2 N2 O5 -","- C192 H160 Ag32 N32 O80 -","16","1","","Yan, Zhi-Hao; Li, Xiao-Yu; Liu, Li-Wei; Yu, Si-Qi; Wang, Xing-Po; Sun, Di","Single-Crystal to Single-Crystal Phase Transition and Segmented Thermochromic Luminescence in a Dynamic 3D Interpenetrated Ag(I) Coordination Network.","Inorganic chemistry","2016","55","3","1096","1101","10.1021/acs.inorgchem.5b02200","","","0.71073","MoKα","","0.0352","0.0289","","","0.0621","0.0658","","","","","","1.05","","","","has coordinates","232005","2020-10-21","18:00:00",""
"4346826","7.2127","0.0006","23.7652","0.0018","30.732","0.002","90","","90","","90","","5267.8","0.7","213","2","213","2","","","","","","","","5","I b c a","-I 2b 2c","73","","","","- C12 H10 Ag2 N2 O5 -","- C12 H10 Ag2 N2 O5 -","- C192 H160 Ag32 N32 O80 -","16","1","","Yan, Zhi-Hao; Li, Xiao-Yu; Liu, Li-Wei; Yu, Si-Qi; Wang, Xing-Po; Sun, Di","Single-Crystal to Single-Crystal Phase Transition and Segmented Thermochromic Luminescence in a Dynamic 3D Interpenetrated Ag(I) Coordination Network.","Inorganic chemistry","2016","55","3","1096","1101","10.1021/acs.inorgchem.5b02200","","","0.71073","MoKα","","0.0304","0.0263","","","0.0692","0.0728","","","","","","0.997","","","","has coordinates","232005","2020-10-21","18:00:00",""
"4346827","7.1728","0.0005","23.7537","0.0017","30.701","0.002","90","","90","","90","","5230.9","0.6","163","2","163","2","","","","","","","","5","I b c a","-I 2b 2c","73","","","","- C12 H10 Ag2 N2 O5 -","- C12 H10 Ag2 N2 O5 -","- C192 H160 Ag32 N32 O80 -","16","1","","Yan, Zhi-Hao; Li, Xiao-Yu; Liu, Li-Wei; Yu, Si-Qi; Wang, Xing-Po; Sun, Di","Single-Crystal to Single-Crystal Phase Transition and Segmented Thermochromic Luminescence in a Dynamic 3D Interpenetrated Ag(I) Coordination Network.","Inorganic chemistry","2016","55","3","1096","1101","10.1021/acs.inorgchem.5b02200","","","0.71073","MoKα","","0.0283","0.0251","","","0.0646","0.0674","","","","","","1.053","","","","has coordinates","232005","2020-10-21","18:00:00",""
"4346828","7.162","0.0005","23.7651","0.0015","30.7049","0.0019","90","","90","","90","","5226.1","0.6","148","2","148","2","","","","","","","","5","I b c a","-I 2b 2c","73","","","","- C12 H10 Ag2 N2 O5 -","- C12 H10 Ag2 N2 O5 -","- C192 H160 Ag32 N32 O80 -","16","1","","Yan, Zhi-Hao; Li, Xiao-Yu; Liu, Li-Wei; Yu, Si-Qi; Wang, Xing-Po; Sun, Di","Single-Crystal to Single-Crystal Phase Transition and Segmented Thermochromic Luminescence in a Dynamic 3D Interpenetrated Ag(I) Coordination Network.","Inorganic chemistry","2016","55","3","1096","1101","10.1021/acs.inorgchem.5b02200","","","0.71073","MoKα","","0.0408","0.039","","","0.0803","0.0811","","","","","","1.323","","","","has coordinates","232005","2020-10-21","18:00:00",""
"4346829","14.2885","0.0014","23.823","0.002","30.749","0.003","90","","90","","90","","10466.8","1.7","133","2","133","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C12 H10 Ag2 N2 O5 -","- C12 H10 Ag2 N2 O5 -","- C384 H320 Ag64 N64 O160 -","32","4","","Yan, Zhi-Hao; Li, Xiao-Yu; Liu, Li-Wei; Yu, Si-Qi; Wang, Xing-Po; Sun, Di","Single-Crystal to Single-Crystal Phase Transition and Segmented Thermochromic Luminescence in a Dynamic 3D Interpenetrated Ag(I) Coordination Network.","Inorganic chemistry","2016","55","3","1096","1101","10.1021/acs.inorgchem.5b02200","","","0.71073","MoKα","","0.1019","0.0978","","","0.2171","0.2189","","","","","","1.266","","","","has coordinates","232005","2020-10-21","18:00:00",""
"4346830","14.2624","0.0012","23.826","0.002","30.75","0.002","90","","90","","90","","10449.3","1.4","113","2","113","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C12 H10 Ag2 N2 O5 -","- C12 H10 Ag2 N2 O5 -","- C384 H320 Ag64 N64 O160 -","32","4","","Yan, Zhi-Hao; Li, Xiao-Yu; Liu, Li-Wei; Yu, Si-Qi; Wang, Xing-Po; Sun, Di","Single-Crystal to Single-Crystal Phase Transition and Segmented Thermochromic Luminescence in a Dynamic 3D Interpenetrated Ag(I) Coordination Network.","Inorganic chemistry","2016","55","3","1096","1101","10.1021/acs.inorgchem.5b02200","","","0.71073","MoKα","","0.0892","0.086","","","0.1956","0.1969","","","","","","1.371","","","","has coordinates","232005","2020-10-21","18:00:00",""
"4346831","14.2327","0.0013","23.828","0.002","30.749","0.003","90","","90","","90","","10428.1","1.6","93","2","93","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C12 H10 Ag2 N2 O5 -","- C12 H10 Ag2 N2 O5 -","- C384 H320 Ag64 N64 O160 -","32","4","","Yan, Zhi-Hao; Li, Xiao-Yu; Liu, Li-Wei; Yu, Si-Qi; Wang, Xing-Po; Sun, Di","Single-Crystal to Single-Crystal Phase Transition and Segmented Thermochromic Luminescence in a Dynamic 3D Interpenetrated Ag(I) Coordination Network.","Inorganic chemistry","2016","55","3","1096","1101","10.1021/acs.inorgchem.5b02200","","","0.71073","MoKα","","0.1024","0.0999","","","0.2261","0.2271","","","","","","1.32","","","","has coordinates","232005","2020-10-21","18:00:00",""
"4346832","10.377","0.002","29.722","0.006","10.547","0.002","90","","90.405","0.002","90","","3252.9","1.1","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","Nidetu4Cl2","","","- C20 H48 Cl2 N8 Ni S4 -","- C20 H48 Cl2 N8 Ni S4 -","- C80 H192 Cl8 N32 Ni4 S16 -","4","1","","Alfurayj, Ibrahim A.; Young, Jr, Victor G; Jensen, Michael P.","Structural Characterization of Thermochromic and Spin Equilibria in Solid-State Ni(detu)4Cl2 (detu = N,N'-Diethylthiourea).","Inorganic chemistry","2016","55","4","1469","1479","10.1021/acs.inorgchem.5b02203","","","0.71073","MoKα","","0.0721","0.0612","","","0.1247","0.1281","","","","","","1.275","","","","has coordinates","232006","2020-10-21","18:00:00",""
"4346833","10.4078","0.0004","29.7627","0.0014","10.5579","0.0004","90","","90.308","0.003","90","","3270.4","0.2","223","2","223","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Nidetu4Cl2_223K","","- C20 H48 Cl2 N8 Ni S4 -","- C20 H48 Cl2 N8 Ni S4 -","- C80 H192 Cl8 N32 Ni4 S16 -","4","1","","Alfurayj, Ibrahim A.; Young, Jr, Victor G; Jensen, Michael P.","Structural Characterization of Thermochromic and Spin Equilibria in Solid-State Ni(detu)4Cl2 (detu = N,N'-Diethylthiourea).","Inorganic chemistry","2016","55","4","1469","1479","10.1021/acs.inorgchem.5b02203","","","1.54178","CuKα","","0.1057","0.0768","","","0.1473","0.1614","","","","","","1.042","","","","has coordinates","232006","2020-10-21","18:00:00",""
"4346834","10.4776","0.0004","29.8608","0.0013","10.5521","0.0004","90","","90.203","0.003","90","","3301.4","0.2","253","2","253","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Nidetu4Cl2_253K","","- C20 H48 Cl2 N8 Ni S4 -","- C20 H48 Cl2 N8 Ni S4 -","- C80 H192 Cl8 N32 Ni4 S16 -","4","1","","Alfurayj, Ibrahim A.; Young, Jr, Victor G; Jensen, Michael P.","Structural Characterization of Thermochromic and Spin Equilibria in Solid-State Ni(detu)4Cl2 (detu = N,N'-Diethylthiourea).","Inorganic chemistry","2016","55","4","1469","1479","10.1021/acs.inorgchem.5b02203","","","1.54178","CuKα","","0.157","0.1292","","","0.2708","0.2854","","","","","","1.112","","","","has coordinates","232006","2020-10-21","18:00:00",""
"4346835","10.5335","0.0004","29.915","0.0012","10.5757","0.0004","90","","90.171","0.002","90","","3332.5","0.2","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Nidetu4Cl2_293K","","- C20 H48 Cl2 N8 Ni S4 -","- C20 H48 Cl2 N8 Ni S4 -","- C80 H192 Cl8 N32 Ni4 S16 -","4","1","","Alfurayj, Ibrahim A.; Young, Jr, Victor G; Jensen, Michael P.","Structural Characterization of Thermochromic and Spin Equilibria in Solid-State Ni(detu)4Cl2 (detu = N,N'-Diethylthiourea).","Inorganic chemistry","2016","55","4","1469","1479","10.1021/acs.inorgchem.5b02203","","","1.54178","CuKα","","0.1542","0.1223","","","0.2881","0.3071","","","","","","1.062","","","","has coordinates","232006","2020-10-21","18:00:00",""
"4346840","15.0609","0.0011","15.1516","0.0011","18.4813","0.0013","91.405","0.002","109.529","0.001","109.816","0.002","3693.9","0.5","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C84 H101 Cl Mn2 N8 O5 -","- C84 H101 Cl Mn2 N8 O5 -","- C168 H202 Cl2 Mn4 N16 O10 -","2","1","","Sil, Debangsu; Bhowmik, Susovan; Khan, Firoz Shah Tuglak; Rath, Sankar Prasad","Experimental and Theoretical Investigation of a Series of Novel Dimanganese(III) μ-Hydroxo Bisporphyrins: Magneto-Structural Correlation and Effect of Metal Spin on Porphyrin Core Deformation.","Inorganic chemistry","2016","55","7","3239","3251","10.1021/acs.inorgchem.5b02226","","","0.71073","MoKα","","0.1288","0.0749","","","0.182","0.2316","","","","","","1.055","","","","has coordinates,has disorder","232008","2020-10-21","18:00:00",""
"4346841","14.656","0.005","15.833","0.005","23.555","0.005","96.246","0.005","106.556","0.005","113.735","0.005","4638","2","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C199 H231 B2 F8 Mn4 N16 O2 -","- C199 H231 B2 F8 Mn4 N16 O2 -","- C199 H231 B2 F8 Mn4 N16 O2 -","1","0.5","","Sil, Debangsu; Bhowmik, Susovan; Khan, Firoz Shah Tuglak; Rath, Sankar Prasad","Experimental and Theoretical Investigation of a Series of Novel Dimanganese(III) μ-Hydroxo Bisporphyrins: Magneto-Structural Correlation and Effect of Metal Spin on Porphyrin Core Deformation.","Inorganic chemistry","2016","55","7","3239","3251","10.1021/acs.inorgchem.5b02226","","","0.71069","MoKα","","0.1238","0.0881","","","0.2363","0.2788","","","","","","1.039","","","","has coordinates,has disorder","232009","2020-10-21","18:00:00",""
"4346842","14.9243","0.0011","27.767","0.002","19.276","0.0015","90","","105.733","0.002","90","","7688.8","1","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C86 H100 F6 Mn2 N8 O P -","- C86 H100 F6 Mn2 N8 O P -","- C344 H400 F24 Mn8 N32 O4 P4 -","4","1","","Sil, Debangsu; Bhowmik, Susovan; Khan, Firoz Shah Tuglak; Rath, Sankar Prasad","Experimental and Theoretical Investigation of a Series of Novel Dimanganese(III) μ-Hydroxo Bisporphyrins: Magneto-Structural Correlation and Effect of Metal Spin on Porphyrin Core Deformation.","Inorganic chemistry","2016","55","7","3239","3251","10.1021/acs.inorgchem.5b02226","","","0.71073","MoKα","","0.1387","0.0678","","","0.1487","0.1863","","","","","","1.001","","","","has coordinates","232010","2020-10-21","18:00:00",""
"4346843","14.84","0.005","14.997","0.005","19.268","0.005","87.856","0.005","74.193","0.005","71.326","0.005","3903","2","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C163 H189 I6 Mn4 N16 O2 -","- C163 H189 I6 Mn4 N16 O2 -","- C163 H189 I6 Mn4 N16 O2 -","1","0.5","","Sil, Debangsu; Bhowmik, Susovan; Khan, Firoz Shah Tuglak; Rath, Sankar Prasad","Experimental and Theoretical Investigation of a Series of Novel Dimanganese(III) μ-Hydroxo Bisporphyrins: Magneto-Structural Correlation and Effect of Metal Spin on Porphyrin Core Deformation.","Inorganic chemistry","2016","55","7","3239","3251","10.1021/acs.inorgchem.5b02226","","","0.71069","MoKα","","0.1695","0.0907","","","0.1738","0.2107","","","","","","1.038","","","","has coordinates,has disorder","232011","2020-10-21","18:00:00",""
"4346844","17.832","0.005","24.159","0.005","18.505","0.005","90","0.005","116.234","0.005","90","0.005","7151","3","100","2","100","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C75 H89 Cl2 F6 Mn2 N8 O Sb -","- C75 H89 Cl2 F6 Mn2 N8 O Sb -","- C300 H356 Cl8 F24 Mn8 N32 O4 Sb4 -","4","0.5","","Sil, Debangsu; Bhowmik, Susovan; Khan, Firoz Shah Tuglak; Rath, Sankar Prasad","Experimental and Theoretical Investigation of a Series of Novel Dimanganese(III) μ-Hydroxo Bisporphyrins: Magneto-Structural Correlation and Effect of Metal Spin on Porphyrin Core Deformation.","Inorganic chemistry","2016","55","7","3239","3251","10.1021/acs.inorgchem.5b02226","","","0.71069","MoKα","","0.1201","0.0728","","","0.1704","0.197","","","","","","1.031","","","","has coordinates,has disorder","232012","2020-10-21","18:00:00",""
"4346850","32.726","0.007","10.721","0.002","25.497","0.005","90","","114.88","0.03","90","","8116","3","150","2","150.15","","","","","","","","","7","C 1 2 1","C 2y","5","","","","- C62 H84 Cl2 Mn2 N12 O27 Pr2 -","- C62 H36 Cl2 Mn2 N12 O27 Pr2 -","- C248 H144 Cl8 Mn8 N48 O108 Pr8 -","4","1","","Yadav, Munendra; Bhunia, Asamanjoy; Jana, Salil K.; Roesky, Peter W.","Manganese- and Lanthanide-Based 1D Chiral Coordination Polymers as an Enantioselective Catalyst for Sulfoxidation.","Inorganic chemistry","2016","55","6","2701","2708","10.1021/acs.inorgchem.5b02234","","","0.71073","MoKα","","0.0778","0.0755","","","0.1896","0.1906","","","","","","1.255","","","","has coordinates,has disorder","232014","2020-10-21","18:00:00",""
"4346851","32.763","0.007","10.803","0.002","25.554","0.005","90","","114.82","0.03","90","","8209","3","150","2","150","2","","","","","","","","7","C 1 2 1","C 2y","5","","","","- C62 H84 Cl2 Mn2 N12 Nd2 O27 -","- C62 H36 Cl2 Mn2 N12 Nd2 O27 -","- C248 H144 Cl8 Mn8 N48 Nd8 O108 -","4","1","","Yadav, Munendra; Bhunia, Asamanjoy; Jana, Salil K.; Roesky, Peter W.","Manganese- and Lanthanide-Based 1D Chiral Coordination Polymers as an Enantioselective Catalyst for Sulfoxidation.","Inorganic chemistry","2016","55","6","2701","2708","10.1021/acs.inorgchem.5b02234","","","0.71073","MoKα","","0.1353","0.082","","","0.16","0.1761","","","","","","0.977","","","","has coordinates,has disorder","232015","2020-10-21","18:00:00",""
"4346852","32.571","0.007","10.734","0.002","25.464","0.005","90","","114.71","0.03","90","","8087","3","150","2","150","2","","","","","","","","7","C 1 2 1","C 2y","5","","","","- C62 H84 Cl2 Mn2 N12 O27 Sm2 -","- C62 H36 Cl2 Mn2 N12 O27 Sm2 -","- C248 H144 Cl8 Mn8 N48 O108 Sm8 -","4","1","","Yadav, Munendra; Bhunia, Asamanjoy; Jana, Salil K.; Roesky, Peter W.","Manganese- and Lanthanide-Based 1D Chiral Coordination Polymers as an Enantioselective Catalyst for Sulfoxidation.","Inorganic chemistry","2016","55","6","2701","2708","10.1021/acs.inorgchem.5b02234","","","0.71073","MoKα","","0.0992","0.098","","","0.2403","0.2409","","","","","","1.199","","","","has coordinates,has disorder","232016","2020-10-21","18:00:00",""
"4346853","32.393","0.007","10.749","0.002","25.39","0.005","90","","114.29","0.03","90","","8058","3","150","2","150","2","","","","","","","","7","C 1 2 1","C 2y","5","","","","- C62 H84 Cl2 Gd2 Mn2 N12 O27 -","- C62 H36 Cl2 Gd2 Mn2 N12 O27 -","- C248 H144 Cl8 Gd8 Mn8 N48 O108 -","4","1","","Yadav, Munendra; Bhunia, Asamanjoy; Jana, Salil K.; Roesky, Peter W.","Manganese- and Lanthanide-Based 1D Chiral Coordination Polymers as an Enantioselective Catalyst for Sulfoxidation.","Inorganic chemistry","2016","55","6","2701","2708","10.1021/acs.inorgchem.5b02234","","","0.71073","MoKα","","0.074","0.0642","","","0.1703","0.1764","","","","","","1.049","","","","has coordinates,has disorder","232017","2020-10-21","18:00:00",""
"4346857","10.7776","0.0003","14.1725","0.0005","14.9765","0.0005","107.596","0.002","106.553","0.002","107.047","0.002","1901.6","0.12","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C45.29 H42.29 Fe3 Mn O6 -","- C45.297 H42.297 Fe3 Mn O6 -","- C90.594 H84.594 Fe6 Mn2 O12 -","2","1","","Buitendach, Blenerhassitt E.; Erasmus, Elizabeth; Landman, Marilé; Niemantsverdriet, J. W. Hans; Swarts, Jannie C.","Consequences of Electron-Density Manipulations on the X-ray Photoelectron Spectroscopic Properties of Ferrocenyl-β-diketonato Complexes of Manganese(III). Structure of [Mn(FcCOCHCOCH3)3].","Inorganic chemistry","2016","55","5","1992","2000","10.1021/acs.inorgchem.5b02250","","","0.71073","MoKα","","0.0795","0.0534","","","0.1138","0.1263","","","","","","1.024","","","","has coordinates","232023","2020-10-21","18:00:00",""
"4346859","26.869","0.0003","26.869","0.0003","26.869","0.0003","90","","90","","90","","19397.9","0.4","100","2","100","","","","","","","","","4","F m -3 m","-F 4 2 3","225","UiO-67-Me","","","- C96 H24 O32 Zr6 -","- C96 H24 O32 Zr6 -","- C384 H96 O128 Zr24 -","4","0.0208333","","Øien-Ødegaard, Sigurd; Bouchevreau, Boris; Hylland, Knut; Wu, Lianpao; Blom, Richard; Grande, Carlos; Olsbye, Unni; Tilset, Mats; Lillerud, Karl P.","UiO-67-type Metal-Organic Frameworks with Enhanced Water Stability and Methane Adsorption Capacity.","Inorganic chemistry","2016","55","5","1986","1991","10.1021/acs.inorgchem.5b02257","","x-ray","0.75","","","0.0215","0.021","","","0.0644","0.0647","","","","","","1.19","","","","has coordinates","232026","2020-10-21","18:00:00",""
"4346860","9.0298","0.0004","11.1665","0.0005","11.4109","0.0005","63.855","0.001","77.038","0.001","79.097","0.001","1001.15","0.08","100","2","100.03","","","","","","","","","4","P -1","-P 1","2","binaphthyl dicarboxylic acid","1,1'-binaphthyl-4,4'-dicarboxylic acid","","- C25 H21 N O5 -","- C25 H21 N O5 -","- C50 H42 N2 O10 -","2","1","","Øien-Ødegaard, Sigurd; Bouchevreau, Boris; Hylland, Knut; Wu, Lianpao; Blom, Richard; Grande, Carlos; Olsbye, Unni; Tilset, Mats; Lillerud, Karl P.","UiO-67-type Metal-Organic Frameworks with Enhanced Water Stability and Methane Adsorption Capacity.","Inorganic chemistry","2016","55","5","1986","1991","10.1021/acs.inorgchem.5b02257","","x-ray","0.71073","MoKα","","0.0594","0.0433","","","0.1097","0.1187","","","","","","1.028","","","","has coordinates","232027","2020-10-21","18:00:00",""
"4346861","26.8167","0.0002","26.8167","0.0002","26.8167","0.0002","90","","90","","90","","19284.8","0.2","100","2","100","","","","","","","","","3","F m -3 m","-F 4 2 3","225","UiO-67-BN","","","- C114.85 O30.32 Zr6 -","- C114.84 O30.32 Zr6 -","- C459.36 O121.28 Zr24 -","4","0.0208333","","Øien-Ødegaard, Sigurd; Bouchevreau, Boris; Hylland, Knut; Wu, Lianpao; Blom, Richard; Grande, Carlos; Olsbye, Unni; Tilset, Mats; Lillerud, Karl P.","UiO-67-type Metal-Organic Frameworks with Enhanced Water Stability and Methane Adsorption Capacity.","Inorganic chemistry","2016","55","5","1986","1991","10.1021/acs.inorgchem.5b02257","","x-ray","0.76","synchrotron","","0.0312","0.0298","","","0.0844","0.0855","","","","","","1.09","","","","has coordinates,has disorder","232028","2020-10-21","18:00:00",""
"4346862","15.3346","0.0019","3.6746","0.0005","19.146","0.002","90","","104.991","0.007","90","","1042.1","0.2","100","2","100","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","Biphenyl dicarboxylic acid","Biphenyl-4,4'-dicarboxylic acid","","- C14 H10 O4 -","- C14 H10 O4 -","- C56 H40 O16 -","4","0.5","","Øien-Ødegaard, Sigurd; Bouchevreau, Boris; Hylland, Knut; Wu, Lianpao; Blom, Richard; Grande, Carlos; Olsbye, Unni; Tilset, Mats; Lillerud, Karl P.","UiO-67-type Metal-Organic Frameworks with Enhanced Water Stability and Methane Adsorption Capacity.","Inorganic chemistry","2016","55","5","1986","1991","10.1021/acs.inorgchem.5b02257","","x-ray","0.76","synchrotron","","0.0446","0.0409","","","0.1213","0.1238","","","","","","1.084","","","","has coordinates","232029","2020-10-21","18:00:00",""
"4346863","26.8167","0.0002","26.8167","0.0002","26.8167","0.0002","90","","90","","90","","19284.8","0.2","100","2","100","","","","","","","","","3","F m -3 m","-F 4 2 3","225","UiO-67-BN","","","- C115.83 O33.41 Zr6 -","- C115.822 O33.3952 Zr6 -","- C463.286 O133.581 Zr24 -","4","0.0208333","","Øien-Ødegaard, Sigurd; Bouchevreau, Boris; Hylland, Knut; Wu, Lianpao; Blom, Richard; Grande, Carlos; Olsbye, Unni; Tilset, Mats; Lillerud, Karl P.","UiO-67-type Metal-Organic Frameworks with Enhanced Water Stability and Methane Adsorption Capacity.","Inorganic chemistry","2016","55","5","1986","1991","10.1021/acs.inorgchem.5b02257","","x-ray","0.76","synchrotron","","0.0338","0.0323","","","0.0952","0.0965","","","","","","1.179","","","","has coordinates,has disorder","232030","2020-10-21","18:00:00",""
"4346864","26.869","0.0003","26.869","0.0003","26.869","0.0003","90","","90","","90","","19397.9","0.4","100","2","100","","","","","","","","","3","F m -3 m","-F 4 2 3","225","UiO-67-Me","","","- C101.15 O48.63 Zr6 -","- C101.12 O48.64 Zr6 -","- C404.48 O194.56 Zr24 -","4","0.0208333","","Øien-Ødegaard, Sigurd; Bouchevreau, Boris; Hylland, Knut; Wu, Lianpao; Blom, Richard; Grande, Carlos; Olsbye, Unni; Tilset, Mats; Lillerud, Karl P.","UiO-67-type Metal-Organic Frameworks with Enhanced Water Stability and Methane Adsorption Capacity.","Inorganic chemistry","2016","55","5","1986","1991","10.1021/acs.inorgchem.5b02257","","x-ray","0.75","","","0.0354","0.0349","","","0.1507","0.1515","","","","","","1.171","","","","has coordinates","232031","2020-10-21","18:00:00",""
"4346874","11.1956","0.0003","11.3233","0.0004","15.2151","0.0005","69.214","0.003","76.756","0.003","77.381","0.003","1735.28","0.1","140","2","140","2","","","","","","","","6","P -1","-P 1","2","","","","- C43 H30 Cl2 N P Pt -","- C43 H30 Cl2 N P Pt -","- C86 H60 Cl4 N2 P2 Pt2 -","2","1","","Mendola, Daniele; Saleh, Nidal; Hellou, Nora; Vanthuyne, Nicolas; Roussel, Christian; Toupet, Loïc; Castiglione, Franca; Melone, Federica; Caronna, Tullio; Fontana, Francesca; Martí-Rujas, Javier; Parisini, Emilio; Malpezzi, Luciana; Mele, Andrea; Crassous, Jeanne","Synthesis and Structural Properties of Aza[n]helicene Platinum Complexes: Control of Cis and Trans Stereochemistry.","Inorganic chemistry","2016","55","5","2009","2017","10.1021/acs.inorgchem.5b02276","","","0.71073","MoKα","","0.0815","0.0428","","","0.074","0.0897","","","","","","0.864","","","","has coordinates","232034","2020-10-21","18:00:00",""
"4346875","50.798","0.003","15.1549","0.0008","17.5965","0.001","90","","95.369","0.004","90","","13487","1.3","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C39 H28 Cl2 N P Pt -","- C39 H28 Cl2 N P Pt -","- C624 H448 Cl32 N16 P16 Pt16 -","16","2","","Mendola, Daniele; Saleh, Nidal; Hellou, Nora; Vanthuyne, Nicolas; Roussel, Christian; Toupet, Loïc; Castiglione, Franca; Melone, Federica; Caronna, Tullio; Fontana, Francesca; Martí-Rujas, Javier; Parisini, Emilio; Malpezzi, Luciana; Mele, Andrea; Crassous, Jeanne","Synthesis and Structural Properties of Aza[n]helicene Platinum Complexes: Control of Cis and Trans Stereochemistry.","Inorganic chemistry","2016","55","5","2009","2017","10.1021/acs.inorgchem.5b02276","","","1.54178","CuKα","","0.0962","0.0464","","","0.1068","0.1285","","","","","","1.011","","","","has coordinates","251896","2020-10-21","18:00:00",""
"4346876","10.6352","0.0005","14.665","0.0009","14.7018","0.0008","61.388","0.006","69.548","0.005","79.328","0.005","1885.6","0.2","140","2","140","2","","","","","","","","6","P -1","-P 1","2","","","","- C44 H32 Cl4 N P Pt -","- C44 H32 Cl4 N P Pt -","- C88 H64 Cl8 N2 P2 Pt2 -","2","1","","Mendola, Daniele; Saleh, Nidal; Hellou, Nora; Vanthuyne, Nicolas; Roussel, Christian; Toupet, Loïc; Castiglione, Franca; Melone, Federica; Caronna, Tullio; Fontana, Francesca; Martí-Rujas, Javier; Parisini, Emilio; Malpezzi, Luciana; Mele, Andrea; Crassous, Jeanne","Synthesis and Structural Properties of Aza[n]helicene Platinum Complexes: Control of Cis and Trans Stereochemistry.","Inorganic chemistry","2016","55","5","2009","2017","10.1021/acs.inorgchem.5b02276","","","0.71073","MoKα","","0.0814","0.0617","","","0.1498","0.1589","","","","","","0.997","","","","has coordinates","232036","2020-10-21","18:00:00",""
"4346877","9.0829","0.0002","13.2809","0.0003","28.1212","0.0006","90","","90","","90","","3392.23","0.13","150","2","150","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C43 H30 Cl2 N P Pt -","- C43 H30 Cl2 N P Pt -","- C172 H120 Cl8 N4 P4 Pt4 -","4","1","","Mendola, Daniele; Saleh, Nidal; Hellou, Nora; Vanthuyne, Nicolas; Roussel, Christian; Toupet, Loïc; Castiglione, Franca; Melone, Federica; Caronna, Tullio; Fontana, Francesca; Martí-Rujas, Javier; Parisini, Emilio; Malpezzi, Luciana; Mele, Andrea; Crassous, Jeanne","Synthesis and Structural Properties of Aza[n]helicene Platinum Complexes: Control of Cis and Trans Stereochemistry.","Inorganic chemistry","2016","55","5","2009","2017","10.1021/acs.inorgchem.5b02276","","x-ray","0.71073","MoKα","","0.0232","0.0218","","","0.0465","0.0472","","","","","","1.047","","","","has coordinates","232037","2020-10-21","18:00:00",""
"4346878","11.729","0.005","12.493","0.005","13.546","0.005","63.717","0.005","72.489","0.005","76.041","0.005","1683.6","1.2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C39.25 H28.5 Cl2.5 N P Pt -","- C39.25 H28.5 Cl2.5 N P Pt -","- C78.5 H57 Cl5 N2 P2 Pt2 -","2","1","","Mendola, Daniele; Saleh, Nidal; Hellou, Nora; Vanthuyne, Nicolas; Roussel, Christian; Toupet, Loïc; Castiglione, Franca; Melone, Federica; Caronna, Tullio; Fontana, Francesca; Martí-Rujas, Javier; Parisini, Emilio; Malpezzi, Luciana; Mele, Andrea; Crassous, Jeanne","Synthesis and Structural Properties of Aza[n]helicene Platinum Complexes: Control of Cis and Trans Stereochemistry.","Inorganic chemistry","2016","55","5","2009","2017","10.1021/acs.inorgchem.5b02276","","","1.54178","CuKα","","0.0768","0.0499","","","0.1186","0.1402","","","","","","1.054","","","","has coordinates","232038","2020-10-21","18:00:00",""
"4346879","40.424","0.006","40.424","0.006","14.838","0.003","90","","90","","90","","24247","7","300","","300","","","","","","","","","6","I 41/a c d :2","-I 4bd 2c","142","","","","- C24 H24 Cl2 Cu N6 O8.38 -","- C24 H24 Cl2 Cu N6 O8.375 -","- C768 H768 Cl64 Cu32 N192 O268 -","32","1","","Hall, Nikita; Orio, Maylis; Gennari, Marcello; Wills, Christopher; Molton, Florian; Philouze, Christian; Jameson, Geoffrey B.; Halcrow, Malcolm A.; Blackman, Allan G.; Duboc, Carole","Multifrequency cw-EPR and DFT Studies of an Apparent Compressed Octahedral Cu(II) Complex.","Inorganic chemistry","2016","55","4","1497","1504","10.1021/acs.inorgchem.5b02287","","x-ray","0.71073","MoKα","","0.097","0.0614","","","0.1646","0.2059","","","","","","1.06","","","","has coordinates,has disorder","232039","2020-10-21","18:00:00",""
"4346880","40.33","0.006","40.33","0.006","14.747","0.003","90","","90","","90","","23986","7","200","","200","","","","","","","","","6","I 41/a c d :2","-I 4bd 2c","142","","","","- C24 H24 Cl2 Cu N6 O8.38 -","- C24 H24 Cl2 Cu N6 O8.375 -","- C768 H768 Cl64 Cu32 N192 O268 -","32","1","","Hall, Nikita; Orio, Maylis; Gennari, Marcello; Wills, Christopher; Molton, Florian; Philouze, Christian; Jameson, Geoffrey B.; Halcrow, Malcolm A.; Blackman, Allan G.; Duboc, Carole","Multifrequency cw-EPR and DFT Studies of an Apparent Compressed Octahedral Cu(II) Complex.","Inorganic chemistry","2016","55","4","1497","1504","10.1021/acs.inorgchem.5b02287","","x-ray","0.71073","MoKα","","0.0933","0.0629","","","0.1639","0.202","","","","","","1.074","","","","has coordinates,has disorder","232040","2020-10-21","18:00:00",""
"4346881","22.674","0.005","14.38","0.003","18.106","0.004","90","","113.286","0.009","90","","5423","2","89","2","89","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C48 H52 Cl4 N12 O18 Zn2 -","- C48 H52 Cl4 N12 O18 Zn2 -","- C192 H208 Cl16 N48 O72 Zn8 -","4","0.5","","Hall, Nikita; Orio, Maylis; Gennari, Marcello; Wills, Christopher; Molton, Florian; Philouze, Christian; Jameson, Geoffrey B.; Halcrow, Malcolm A.; Blackman, Allan G.; Duboc, Carole","Multifrequency cw-EPR and DFT Studies of an Apparent Compressed Octahedral Cu(II) Complex.","Inorganic chemistry","2016","55","4","1497","1504","10.1021/acs.inorgchem.5b02287","","","0.71073","MoKα","","0.0461","0.0419","","","0.1059","0.108","","","","","","1.148","","","","has coordinates,has disorder","232041","2020-10-21","18:00:00",""
"4346882","39.919","0.006","39.919","0.006","14.444","0.003","90","","90","","90","","23017","7","100","","100","","","","","","","","","6","I 41/a c d :2","-I 4bd 2c","142","","","","- C24 H24 Cl2 Cu N6 O8.38 -","- C24 H24 Cl2 Cu N6 O8.375 -","- C768 H768 Cl64 Cu32 N192 O268 -","32","1","","Hall, Nikita; Orio, Maylis; Gennari, Marcello; Wills, Christopher; Molton, Florian; Philouze, Christian; Jameson, Geoffrey B.; Halcrow, Malcolm A.; Blackman, Allan G.; Duboc, Carole","Multifrequency cw-EPR and DFT Studies of an Apparent Compressed Octahedral Cu(II) Complex.","Inorganic chemistry","2016","55","4","1497","1504","10.1021/acs.inorgchem.5b02287","","x-ray","0.71073","MoKα","","0.1199","0.076","","","0.1907","0.2464","","","","","","1.105","","","","has coordinates,has disorder","232042","2020-10-21","18:00:00",""
"4346883","22.39","0.0015","14.302","0.0011","18.244","0.0014","90","","112.878","0.004","90","","5382.6","0.7","89","2","89","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C48 H52 Cl4 Cu2 N12 O18 -","- C48 H52 Cl4 Cu2 N12 O18 -","- C192 H208 Cl16 Cu8 N48 O72 -","4","0.5","","Hall, Nikita; Orio, Maylis; Gennari, Marcello; Wills, Christopher; Molton, Florian; Philouze, Christian; Jameson, Geoffrey B.; Halcrow, Malcolm A.; Blackman, Allan G.; Duboc, Carole","Multifrequency cw-EPR and DFT Studies of an Apparent Compressed Octahedral Cu(II) Complex.","Inorganic chemistry","2016","55","4","1497","1504","10.1021/acs.inorgchem.5b02287","","","0.71073","MoKα","","0.0714","0.0684","","","0.1829","0.1845","","","","","","1.174","","","","has coordinates","232043","2020-10-21","18:00:00",""
"4346884","16.185","0.005","14.081","0.004","12.616","0.004","90","","90","","90","","2875.2","1.5","89","2","89","2","","","","","","","","5","P n n a","-P 2a 2bc","52","","","","- C14 H15 Br Cu0.5 N4 -","- C14 H15 Br Cu0.5 N4 -","- C112 H120 Br8 Cu4 N32 -","8","1","","Hall, Nikita; Orio, Maylis; Gennari, Marcello; Wills, Christopher; Molton, Florian; Philouze, Christian; Jameson, Geoffrey B.; Halcrow, Malcolm A.; Blackman, Allan G.; Duboc, Carole","Multifrequency cw-EPR and DFT Studies of an Apparent Compressed Octahedral Cu(II) Complex.","Inorganic chemistry","2016","55","4","1497","1504","10.1021/acs.inorgchem.5b02287","","","0.71069","MoKα","","0.0874","0.07","","","0.1292","0.1383","","","","","","1.076","","","","has coordinates","232044","2020-10-21","18:00:00",""
"4346889","14.234","0.004","14.234","0.004","63.76","0.03","90","","90","","90","","12918","8","296","2","296","2","","","","","","","","5","I -4 2 d","I -4 2bw","122","","","","- C43 H29 N2 O23 Tb3 -","- C43 H19 N2 O23 Tb3 -","- C344 H152 N16 O184 Tb24 -","8","0.5","","Zhao, Jun; Wang, Ye-Nan; Dong, Wen-Wen; Wu, Ya-Pan; Li, Dong-Sheng; Zhang, Qi-Chun","A Robust Luminescent Tb(III)-MOF with Lewis Basic Pyridyl Sites for the Highly Sensitive Detection of Metal Ions and Small Molecules.","Inorganic chemistry","2016","55","7","3265","3271","10.1021/acs.inorgchem.5b02294","","","0.71073","MoKα","","0.071","0.0597","","","0.1466","0.1534","","","","","","1.075","","","","has coordinates","232046","2020-10-21","18:00:00",""
"4346890","13.0878","0.0004","17.967","0.0007","31.6685","0.0008","82.813","0.003","88.295","0.002","69.03","0.003","6898","0.4","223","2","223","2","","","","","","","","6","P 1","P 1","1","","","","- C167 H124 Cl4 N18 O3 Zn3 -","- C165 H120 N18 O3 Zn3 -","- C330 H240 N36 O6 Zn6 -","2","2","","Han, Zhen; Li, Li; Shi, Bo; Fang, Xianshi; Wang, Yong; Hu, Chuanjiang","Crystallographic and Spectroscopic Studies of a Host-Guest Complex Consisting of a Novel Zinc Trisporphyrinate and a Chiral Monoamine.","Inorganic chemistry","2016","55","8","3730","3737","10.1021/acs.inorgchem.5b02295","","","1.54178","CuKα","","0.0856","0.0711","","","0.1846","0.1999","","","","","","1.181","","","","has coordinates,has disorder","232047","2020-10-21","18:00:00",""
"4346892","11.4705","0.0004","13.3545","0.0004","15.2718","0.0005","65.532","0.002","71.858","0.002","73.126","0.002","1987.94","0.12","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C26 H40 Cu4 I4 N2 O4 S4 -","- C26 H40 Cu4 I4 N2 O4 S4 -","- C52 H80 Cu8 I8 N4 O8 S8 -","2","1","","Kim, Seulgi; Siewe, Arlette Deukam; Lee, Eunji; Ju, Huiyeong; Park, In-Hyeok; Park, Ki-Min; Ikeda, Mari; Habata, Yoichi; Lee, Shim Sung","Ligand-Induced Formation of Copper(I) Iodide Clusters: Exocyclic Coordination Polymers with Bis-dithiamacrocycle Isomers.","Inorganic chemistry","2016","55","5","2018","2022","10.1021/acs.inorgchem.5b02314","","","0.71073","MoKα","","0.0331","0.0272","","","0.0625","0.0654","","","","","","1.036","","","","has coordinates","232049","2020-10-21","18:00:00",""
"4346893","8.5912","0.0006","11.1321","0.0008","19.9358","0.0015","76.169","0.005","79.828","0.005","68.587","0.005","1715.1","0.2","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C22 H32 Cu4 I4 O4 S4 -","- C22 H32 Cu4 I4 O4 S4 -","- C44 H64 Cu8 I8 O8 S8 -","2","1","","Kim, Seulgi; Siewe, Arlette Deukam; Lee, Eunji; Ju, Huiyeong; Park, In-Hyeok; Park, Ki-Min; Ikeda, Mari; Habata, Yoichi; Lee, Shim Sung","Ligand-Induced Formation of Copper(I) Iodide Clusters: Exocyclic Coordination Polymers with Bis-dithiamacrocycle Isomers.","Inorganic chemistry","2016","55","5","2018","2022","10.1021/acs.inorgchem.5b02314","","","0.71073","MoKα","","0.1478","0.0752","","","0.1823","0.2209","","","","","","1.103","","","","has coordinates,has disorder","232049","2020-10-21","18:00:00",""
"4346894","8.4423","0.0004","18.6186","0.0009","9.4896","0.0004","90","","106.848","0.002","90","","1427.59","0.11","173","2","173","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- C11 H17 Cu I O2 S2 -","- C11 H17 Cu I O2 S2 -","- C44 H68 Cu4 I4 O8 S8 -","4","0.5","","Kim, Seulgi; Siewe, Arlette Deukam; Lee, Eunji; Ju, Huiyeong; Park, In-Hyeok; Park, Ki-Min; Ikeda, Mari; Habata, Yoichi; Lee, Shim Sung","Ligand-Induced Formation of Copper(I) Iodide Clusters: Exocyclic Coordination Polymers with Bis-dithiamacrocycle Isomers.","Inorganic chemistry","2016","55","5","2018","2022","10.1021/acs.inorgchem.5b02314","","","0.71073","MoKα","","0.0276","0.0254","","","0.0622","0.0641","","","","","","1.074","","","","has coordinates","232049","2020-10-21","18:00:00",""
"4346896","13.0579","0.0006","14.6896","0.0007","15.3071","0.0007","91.966","0.002","98.829","0.002","111.382","0.002","2688.6","0.2","123","","123","","","","","","","","see text","7","P -1","-P 1","2","","","","- C56 H36 F18 Fe Mo2 N6 O2 -","- C56 H36 F18 Fe Mo2 N6 O2 -","- C112 H72 F36 Fe2 Mo4 N12 O4 -","2","1","","Cai, Xu-Min; Meister, Teresa K.; Pöthig, Alexander; Kühn, Fritz E","Filling a Gap: Electrochemical Property Comparison of the Completed Compound Series [Mo2(DArF)n(O2C-Fc)4-n] (DArF = N,N'-Diarylformamidinate; O2C-Fc = Ferrocenecarboxylate).","Inorganic chemistry","2016","55","2","858","864","10.1021/acs.inorgchem.5b02329","","x-ray","0.71073","MoKα","","0.0288","0.0255","","","0.0635","0.066","","","","","","1.039","","","","has coordinates,has disorder","232051","2020-10-21","18:00:00",""
"4346897","11.5238","0.0009","13.0164","0.0009","15.4293","0.0013","106.699","0.002","107.665","0.002","92.419","0.003","2090.9","0.3","123","","123","","","","","","","","","6","P -1","-P 1","2","","","","- C48 H42 Fe3 Mo2 N2 O8 -","- C48 H42 Fe3 Mo2 N2 O8 -","- C96 H84 Fe6 Mo4 N4 O16 -","2","1","","Cai, Xu-Min; Meister, Teresa K.; Pöthig, Alexander; Kühn, Fritz E","Filling a Gap: Electrochemical Property Comparison of the Completed Compound Series [Mo2(DArF)n(O2C-Fc)4-n] (DArF = N,N'-Diarylformamidinate; O2C-Fc = Ferrocenecarboxylate).","Inorganic chemistry","2016","55","2","858","864","10.1021/acs.inorgchem.5b02329","","x-ray","0.71073","MoKα","","0.0281","0.0253","","","0.062","0.0635","","","","","","1.1","","","","has coordinates,has disorder","232051","2020-10-21","18:00:00",""
"4346901","9.1291","0.0006","9.5884","0.0006","14.7554","0.001","100.388","0.001","99.27","0.001","114.467","0.001","1115.52","0.13","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C17 H14 Co2 N O10 -","- C17 H14 Co2 N O10 -","- C34 H28 Co4 N2 O20 -","2","1","","Yang, Qingxiang; Ren, ShuangShuang; Hao, Ying; Zhao, Qianqian; Chen, Zhijun; Zheng, Hegen","Cyclopentaneteracarboxylic Metal-Organic Frameworks: Tuning the Distance between Layers and Pore Structures with N-Ligands.","Inorganic chemistry","2016","55","10","4951","4957","10.1021/acs.inorgchem.5b02340","","","0.71073","MoKα","","0.0338","0.0292","","","0.0796","0.0814","","","","","","1.054","","","","has coordinates","232054","2020-10-21","18:00:00",""
"4346902","9.1461","0.0006","9.6587","0.0006","12.7617","0.0012","94.664","0.001","103.837","0.001","114.83","0.001","972.1","0.13","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C15 H13 Co2 N O10 -","- C15 H13 Co2 N O10 -","- C30 H26 Co4 N2 O20 -","2","1","","Yang, Qingxiang; Ren, ShuangShuang; Hao, Ying; Zhao, Qianqian; Chen, Zhijun; Zheng, Hegen","Cyclopentaneteracarboxylic Metal-Organic Frameworks: Tuning the Distance between Layers and Pore Structures with N-Ligands.","Inorganic chemistry","2016","55","10","4951","4957","10.1021/acs.inorgchem.5b02340","","","0.71073","MoKα","","0.0315","0.0276","","","0.0723","0.0744","","","","","","1.077","","","","has coordinates","232055","2020-10-21","18:00:00",""
"4346903","9.0477","0.0002","9.7882","0.0002","11.3856","0.0003","88.044","0.001","78.641","0.001","65.886","0.001","901.09","0.04","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H12 Co2 N O10 -","- C14 H12 Co2 N O10 -","- C28 H24 Co4 N2 O20 -","2","1","","Yang, Qingxiang; Ren, ShuangShuang; Hao, Ying; Zhao, Qianqian; Chen, Zhijun; Zheng, Hegen","Cyclopentaneteracarboxylic Metal-Organic Frameworks: Tuning the Distance between Layers and Pore Structures with N-Ligands.","Inorganic chemistry","2016","55","10","4951","4957","10.1021/acs.inorgchem.5b02340","","","0.71073","MoKα","","0.0486","0.0425","","","0.1096","0.1122","","","","","","1.011","","","","has coordinates","232056","2020-10-21","18:00:00",""
"4346904","9.1004","0.0004","9.3972","0.0004","14.9287","0.0006","82.088","0.001","85.458","0.001","65.335","0.001","1148.82","0.08","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C15 H13.5 Co2 N2 O10 -","- C15 H14 Co2 N2 O10 -","- C30 H28 Co4 N4 O20 -","2","1","","Yang, Qingxiang; Ren, ShuangShuang; Hao, Ying; Zhao, Qianqian; Chen, Zhijun; Zheng, Hegen","Cyclopentaneteracarboxylic Metal-Organic Frameworks: Tuning the Distance between Layers and Pore Structures with N-Ligands.","Inorganic chemistry","2016","55","10","4951","4957","10.1021/acs.inorgchem.5b02340","","","0.71073","MoKα","","0.0308","0.027","","","0.0687","0.0703","","","","","","1.067","","","","has coordinates","232057","2020-10-21","18:00:00",""
"4346905","9.0838","0.001","9.6157","0.0011","12.4252","0.0014","93.488","0.002","104.357","0.002","113.993","0.002","944.4","0.19","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H34 Co4 N4 O25 -","- C28 H35 Co4 N4 O25 -","- C28 H35 Co4 N4 O25 -","1","0.5","","Yang, Qingxiang; Ren, ShuangShuang; Hao, Ying; Zhao, Qianqian; Chen, Zhijun; Zheng, Hegen","Cyclopentaneteracarboxylic Metal-Organic Frameworks: Tuning the Distance between Layers and Pore Structures with N-Ligands.","Inorganic chemistry","2016","55","10","4951","4957","10.1021/acs.inorgchem.5b02340","","","0.71073","MoKα","","0.0665","0.057","","","0.1683","0.1878","","","","","","1.049","","","","has coordinates","232058","2020-10-21","18:00:00",""
"4346912","30.2746","0.0007","23.7787","0.0006","33.6356","0.0008","90","","112.202","0.0011","90","","22418.7","1","113","2","113","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C144 Dy2 Fe Mn4 N13 O80 Si2 W18 -","- C144 Dy2 Fe Mn4 N13 O80 Si2 W18 -","- C576 Dy8 Fe4 Mn16 N52 O320 Si8 W72 -","4","0.5","","Sato, Rinta; Suzuki, Kosuke; Minato, Takuo; Yamaguchi, Kazuya; Mizuno, Noritaka","Sequential Synthesis of 3d-3d'-4f Heterometallic Heptanuclear Clusters in between Lacunary Polyoxometalates.","Inorganic chemistry","2016","55","5","2023","2029","10.1021/acs.inorgchem.5b02358","","","0.71069","MoKα","","0.1356","0.1067","","","0.2669","0.2822","","","","","","1.102","","","","has coordinates","232060","2020-10-21","18:00:00",""
"4346913","19.2687","0.0002","29.5016","0.0003","19.311","0.0002","90","","110.777","0.0009","90","","10263.6","0.19","123","2","123","2","","","","","","","","8","P 1 21/a 1","-P 2yab","14","","","","- C124 Cl12 Cu4 Fe N7 O72 Si2 W18 -","- C124 Cl12 Cu4 Fe N7 O72 Si2 W18 -","- C248 Cl24 Cu8 Fe2 N14 O144 Si4 W36 -","2","0.5","","Sato, Rinta; Suzuki, Kosuke; Minato, Takuo; Yamaguchi, Kazuya; Mizuno, Noritaka","Sequential Synthesis of 3d-3d'-4f Heterometallic Heptanuclear Clusters in between Lacunary Polyoxometalates.","Inorganic chemistry","2016","55","5","2023","2029","10.1021/acs.inorgchem.5b02358","","","0.71069","MoKα","","0.1103","0.0909","","","0.2265","0.2404","","","","","","1.138","","","","has coordinates","232061","2020-10-21","18:00:00",""
"4346914","19.6894","0.0002","20.1629","0.0002","26.5399","0.0003","90","","100.56","","90","","10357.8","0.19","113","2","113","2","","","","","","","","10","P 1 21/n 1","-P 2yn","14","","","","- C122 Cl12 Cu4 F24 Fe Gd2 N6 O78 Si2 W18 -","- C122 Cl12 Cu4 F24 Fe Gd2 N6 O78 Si2 W18 -","- C244 Cl24 Cu8 F48 Fe2 Gd4 N12 O156 Si4 W36 -","2","0.5","","Sato, Rinta; Suzuki, Kosuke; Minato, Takuo; Yamaguchi, Kazuya; Mizuno, Noritaka","Sequential Synthesis of 3d-3d'-4f Heterometallic Heptanuclear Clusters in between Lacunary Polyoxometalates.","Inorganic chemistry","2016","55","5","2023","2029","10.1021/acs.inorgchem.5b02358","","","0.71069","MoKα","","0.0641","0.0556","","","0.1588","0.1688","","","","","","1.011","","","","has coordinates,has disorder","232062","2020-10-21","18:00:00",""
"4346915","19.7403","0.0001","20.1328","0.0002","26.5264","0.0002","90","","100.694","0.0004","90","","10359.2","0.14","113","2","113","2","","","","","","","","10","P 1 21/n 1","-P 2yn","14","","","","- C122 Cl12 Cu4 Dy2 F24 Fe N6 O80 Si2 W18 -","- C122 Cl12 Cu4 Dy2 F24 Fe N6 O80 Si2 W18 -","- C244 Cl24 Cu8 Dy4 F48 Fe2 N12 O160 Si4 W36 -","2","0.5","","Sato, Rinta; Suzuki, Kosuke; Minato, Takuo; Yamaguchi, Kazuya; Mizuno, Noritaka","Sequential Synthesis of 3d-3d'-4f Heterometallic Heptanuclear Clusters in between Lacunary Polyoxometalates.","Inorganic chemistry","2016","55","5","2023","2029","10.1021/acs.inorgchem.5b02358","","","0.71069","MoKα","","0.0627","0.0526","","","0.1373","0.1466","","","","","","1.013","","","","has coordinates","232063","2020-10-21","18:00:00",""
"4346916","30.3095","0.0005","23.785","0.0004","33.7132","0.0006","90","","112.54","0.0009","90","","22447.7","0.7","113","2","113","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C140 Fe Gd2 Mn4 N11 O82 Si2 W18 -","- C140 Fe Gd2 Mn4 N11 O82 Si2 W18 -","- C560 Fe4 Gd8 Mn16 N44 O328 Si8 W72 -","4","0.5","","Sato, Rinta; Suzuki, Kosuke; Minato, Takuo; Yamaguchi, Kazuya; Mizuno, Noritaka","Sequential Synthesis of 3d-3d'-4f Heterometallic Heptanuclear Clusters in between Lacunary Polyoxometalates.","Inorganic chemistry","2016","55","5","2023","2029","10.1021/acs.inorgchem.5b02358","","","0.71069","MoKα","","0.1337","0.1005","","","0.2872","0.3123","","","","","","1.071","","","","has coordinates","232064","2020-10-21","18:00:00",""
"4346917","13.0435","0.0007","18.702","0.001","27.3566","0.0019","90","","90","","90","","6673.4","0.7","200","2","200","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C63 H74 N2 O10 P4 Pt2 S2 -","- C63 H74 N2 O10 P4 Pt2 S2 -","- C252 H296 N8 O40 P16 Pt8 S8 -","4","1","","Yoshinari, Nobuto; Shimizu, Tsutomu; Nozaki, Koichi; Konno, Takumi","Methanol-Triggered Turn-On-Type Photoluminescence in L-Cysteinato Palladium(II) and Platinum(II) Complexes Supported by a Bis(diphenylphosphine) Ligand.","Inorganic chemistry","2016","55","5","2030","2036","10.1021/acs.inorgchem.5b02363","","","0.71075","MoKα","","0.0872","0.0668","","","0.1196","0.1249","","","","","","1.143","","","","has coordinates","232065","2020-10-21","18:00:00",""
"4346918","13.352","0.002","14.784","0.003","19.314","0.004","75.711","0.005","69.782","0.005","65.683","0.005","3235.8","1.1","200","2","200","2","","","","","","","","7","P 1","P 1","1","","","","- C30 H31 N O3 P2 Pt S -","- C30 H31 N O6 P2 Pt S -","- C120 H124 N4 O24 P8 Pt4 S4 -","4","4","","Yoshinari, Nobuto; Shimizu, Tsutomu; Nozaki, Koichi; Konno, Takumi","Methanol-Triggered Turn-On-Type Photoluminescence in L-Cysteinato Palladium(II) and Platinum(II) Complexes Supported by a Bis(diphenylphosphine) Ligand.","Inorganic chemistry","2016","55","5","2030","2036","10.1021/acs.inorgchem.5b02363","","","0.71075","MoKα","","0.0357","0.0304","","","0.0767","0.081","","","","","","1.007","","","","has coordinates","254024","2020-10-21","18:00:00",""
"4346919","13.0894","0.0002","15.7129","0.0003","19.3044","0.0004","79.51","0.006","70.921","0.005","70.034","0.005","3515.65","0.18","200","2","200","2","","","","","","","","7","P 1","P 1","1","","","","- C120 H124 N4 O36 P8 Pt4 S4 -","- C120 H124 N4 O36 P8 Pt4 S4 -","- C120 H124 N4 O36 P8 Pt4 S4 -","1","1","","Yoshinari, Nobuto; Shimizu, Tsutomu; Nozaki, Koichi; Konno, Takumi","Methanol-Triggered Turn-On-Type Photoluminescence in L-Cysteinato Palladium(II) and Platinum(II) Complexes Supported by a Bis(diphenylphosphine) Ligand.","Inorganic chemistry","2016","55","5","2030","2036","10.1021/acs.inorgchem.5b02363","","","0.71075","MoKα","","0.0382","0.0324","","","0.0871","0.0908","","","","","","1.057","","","","has coordinates","232065","2020-10-21","18:00:00",""
"4346920","13.1259","0.0002","18.8248","0.0003","27.4833","0.0005","90","","90","","90","","6790.92","0.19","200","2","200","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C31.5 H37 N O5 P2 Pd S -","- C31.5 H37 N O5 P2 Pd S -","- C252 H296 N8 O40 P16 Pd8 S8 -","8","2","","Yoshinari, Nobuto; Shimizu, Tsutomu; Nozaki, Koichi; Konno, Takumi","Methanol-Triggered Turn-On-Type Photoluminescence in L-Cysteinato Palladium(II) and Platinum(II) Complexes Supported by a Bis(diphenylphosphine) Ligand.","Inorganic chemistry","2016","55","5","2030","2036","10.1021/acs.inorgchem.5b02363","","","0.71075","MoKα","","0.0475","0.0433","","","0.1122","0.114","","","","","","1.109","","","","has coordinates","254024","2020-10-21","18:00:00",""
"4346921","13.375","0.002","14.699","0.003","19.198","0.004","75.569","0.005","70.129","0.005","65.587","0.005","3206.1","1.1","200","2","200","2","","","","","","","","7","P 1","P 1","1","","","","- C30 H31 N O6 P2 Pd S -","- C30 H31 N O6 P2 Pd S -","- C120 H124 N4 O24 P8 Pd4 S4 -","4","4","","Yoshinari, Nobuto; Shimizu, Tsutomu; Nozaki, Koichi; Konno, Takumi","Methanol-Triggered Turn-On-Type Photoluminescence in L-Cysteinato Palladium(II) and Platinum(II) Complexes Supported by a Bis(diphenylphosphine) Ligand.","Inorganic chemistry","2016","55","5","2030","2036","10.1021/acs.inorgchem.5b02363","","","0.71075","MoKα","","0.0364","0.0322","","","0.0799","0.0827","","","","","","1.04","","","","has coordinates","254024","2020-10-21","18:00:00",""
"4346922","13.1073","0.0008","15.7964","0.0008","19.3997","0.0008","79.292","0.006","71.117","0.005","69.573","0.005","3549.5","0.4","200","2","200","2","","","","","","","","7","P 1","P 1","1","","","","- C30 H31 N O9 P2 Pd S -","- C30 H31 N O9 P2 Pd S -","- C120 H124 N4 O36 P8 Pd4 S4 -","4","4","","Yoshinari, Nobuto; Shimizu, Tsutomu; Nozaki, Koichi; Konno, Takumi","Methanol-Triggered Turn-On-Type Photoluminescence in L-Cysteinato Palladium(II) and Platinum(II) Complexes Supported by a Bis(diphenylphosphine) Ligand.","Inorganic chemistry","2016","55","5","2030","2036","10.1021/acs.inorgchem.5b02363","","","0.71075","MoKα","","0.0394","0.0369","","","0.0998","0.1034","","","","","","1.018","","","","has coordinates","254024","2020-10-21","18:00:00",""
"4346925","25.2485","0.0005","25.2485","0.0005","15.9652","0.0006","90","","90","","90","","10177.6","0.5","293","2","293","2","","","","","","","","4","P 4 21 2","P 4ab 2ab","90","","","","- C112 H205 Gd17 O112 -","- C112 H205 Gd17 O112 -","- C224 H410 Gd34 O224 -","2","0.25","","Zhou, Yuan-Yuan; Geng, Bing; Zhang, Zhen-Wei; Guan, Qun; Lu, Jun-Ling; Bo, Qi-Bing","New Family of Octagonal-Prismatic Lanthanide Coordination Cages Assembled from Unique Ln17 Clusters and Simple Cliplike Dicarboxylate Ligands.","Inorganic chemistry","2016","55","5","2037","2047","10.1021/acs.inorgchem.5b02367","","","0.71073","MoKα","","0.0507","0.0388","","","0.09","0.0979","","","","","","0.934","","","","has coordinates,has disorder","232067","2020-10-21","18:00:00",""
"4346926","25.1752","0.0005","25.1752","0.0005","15.9129","0.0004","90","","90","","90","","10085.4","0.4","293","2","293","2","","","","","","","","4","P 4 21 2","P 4ab 2ab","90","","","","- C112 H205 O112 Tb17 -","- C112 H205 O112 Tb17 -","- C224 H410 O224 Tb34 -","2","0.25","","Zhou, Yuan-Yuan; Geng, Bing; Zhang, Zhen-Wei; Guan, Qun; Lu, Jun-Ling; Bo, Qi-Bing","New Family of Octagonal-Prismatic Lanthanide Coordination Cages Assembled from Unique Ln17 Clusters and Simple Cliplike Dicarboxylate Ligands.","Inorganic chemistry","2016","55","5","2037","2047","10.1021/acs.inorgchem.5b02367","","","0.71073","MoKα","","0.0417","0.0348","","","0.087","0.0911","","","","","","1.08","","","","has coordinates,has disorder","232067","2020-10-21","18:00:00",""
"4346927","25.3946","0.0005","25.3946","0.0005","15.9393","0.0005","90","","90","","90","","10279","0.4","293","2","293","2","","","","","","","","4","P 4 21 2","P 4ab 2ab","90","","","","- C112 H205 Dy17 O112 -","- C112 H205 Dy17 O112 -","- C224 H410 Dy34 O224 -","2","0.25","","Zhou, Yuan-Yuan; Geng, Bing; Zhang, Zhen-Wei; Guan, Qun; Lu, Jun-Ling; Bo, Qi-Bing","New Family of Octagonal-Prismatic Lanthanide Coordination Cages Assembled from Unique Ln17 Clusters and Simple Cliplike Dicarboxylate Ligands.","Inorganic chemistry","2016","55","5","2037","2047","10.1021/acs.inorgchem.5b02367","","","0.71","MoKα","","0.038","0.0336","","","0.0826","0.085","","","","","","1.072","","","","has coordinates,has disorder","232067","2020-10-21","18:00:00",""
"4346928","25.1018","0.0003","25.1018","0.0003","15.8777","0.0003","90","","90","","90","","10004.5","0.3","293","2","293","2","","","","","","","","4","P 4 21 2","P 4ab 2ab","90","","","","- C112 H205 Ho17 O112 -","- C112 H205 Ho17 O112 -","- C224 H410 Ho34 O224 -","2","0.25","","Zhou, Yuan-Yuan; Geng, Bing; Zhang, Zhen-Wei; Guan, Qun; Lu, Jun-Ling; Bo, Qi-Bing","New Family of Octagonal-Prismatic Lanthanide Coordination Cages Assembled from Unique Ln17 Clusters and Simple Cliplike Dicarboxylate Ligands.","Inorganic chemistry","2016","55","5","2037","2047","10.1021/acs.inorgchem.5b02367","","","0.71073","MoKα","","0.036","0.0315","","","0.0742","0.077","","","","","","1.091","","","","has coordinates,has disorder","232067","2020-10-21","18:00:00",""
"4346929","25.1663","0.0008","25.1663","0.0008","15.8693","0.0009","90","","90","","90","","10050.7","0.7","293","2","293","2","","","","","","","","4","P 4 21 2","P 4ab 2ab","90","","","","- C112 H205 Er17 O112 -","- C112 H205 Er17 O112 -","- C224 H410 Er34 O224 -","2","0.25","","Zhou, Yuan-Yuan; Geng, Bing; Zhang, Zhen-Wei; Guan, Qun; Lu, Jun-Ling; Bo, Qi-Bing","New Family of Octagonal-Prismatic Lanthanide Coordination Cages Assembled from Unique Ln17 Clusters and Simple Cliplike Dicarboxylate Ligands.","Inorganic chemistry","2016","55","5","2037","2047","10.1021/acs.inorgchem.5b02367","","","0.71073","MoKα","","0.0843","0.0684","","","0.1638","0.1792","","","","","","1.052","","","","has coordinates,has disorder","232067","2020-10-21","18:00:00",""
"4346930","11.3341","0.001","11.3341","0.001","27.482","0.002","90","","90","","120","","3057.4","0.4","296","2","296","2","","","","","","","","6","P 65 2 2","P 65 2 (0 0 1)","179","","","","- C20 H16 Gd N3 O8 Zn -","- C20 H16 Gd N3 O8 Zn -","- C120 H96 Gd6 N18 O48 Zn6 -","6","0.5","","He, Xingxiang; Liu, Ying; Lv, Yun; Dong, Yayu; Hu, Gonghao; Zhou, Shuai; Xu, Yan","L- and D-[LnZn(IN)3(C2H4O2)]n (Ln = Eu, Sm, and Gd): Chiral Enantiomerically 3D 3d-4f Coordination Polymers Constructed by Interesting Butterfly-like Building Units and -[Ln-O-Zn]n- Helices.","Inorganic chemistry","2016","55","5","2048","2054","10.1021/acs.inorgchem.5b02372","","","0.71073","MoKα","","0.0408","0.0325","","","0.0622","0.064","","","","","","1.014","","","","has coordinates","232068","2020-10-21","18:00:00",""
"4346931","11.3407","0.0014","11.3407","0.0014","27.565","0.007","90","","90","","120","","3070.2","0.9","296","2","296","2","","","","","","","","6","P 61 2 2","P 61 2 (0 0 5)","178","","","","- C20 H16 N3 O8 Sm Zn -","- C20 H16 N3 O8 Sm Zn -","- C120 H96 N18 O48 Sm6 Zn6 -","6","0.5","","He, Xingxiang; Liu, Ying; Lv, Yun; Dong, Yayu; Hu, Gonghao; Zhou, Shuai; Xu, Yan","L- and D-[LnZn(IN)3(C2H4O2)]n (Ln = Eu, Sm, and Gd): Chiral Enantiomerically 3D 3d-4f Coordination Polymers Constructed by Interesting Butterfly-like Building Units and -[Ln-O-Zn]n- Helices.","Inorganic chemistry","2016","55","5","2048","2054","10.1021/acs.inorgchem.5b02372","","","0.71073","MoKα","","0.0304","0.0249","","","0.0603","0.0626","","","","","","0.877","","","","has coordinates","232069","2020-10-21","18:00:00",""
"4346932","11.3308","0.0008","11.3308","0.0008","27.468","0.004","90","","90","","120","","3054.1","0.5","296","2","296","2","","","","","","","","6","P 61 2 2","P 61 2 (0 0 5)","178","","","","- C20 H16 Gd N3 O8 Zn -","- C20 H16 Gd N3 O8 Zn -","- C120 H96 Gd6 N18 O48 Zn6 -","6","0.5","","He, Xingxiang; Liu, Ying; Lv, Yun; Dong, Yayu; Hu, Gonghao; Zhou, Shuai; Xu, Yan","L- and D-[LnZn(IN)3(C2H4O2)]n (Ln = Eu, Sm, and Gd): Chiral Enantiomerically 3D 3d-4f Coordination Polymers Constructed by Interesting Butterfly-like Building Units and -[Ln-O-Zn]n- Helices.","Inorganic chemistry","2016","55","5","2048","2054","10.1021/acs.inorgchem.5b02372","","","0.71073","MoKα","","0.0222","0.0207","","","0.0532","0.0537","","","","","","1.028","","","","has coordinates","232070","2020-10-21","18:00:00",""
"4346933","11.369","0.006","11.369","0.006","27.62","0.03","90","","90","","120","","3092","4","296","2","296","2","","","","","","","","6","P 65 2 2","P 65 2 (0 0 1)","179","","","","- C20 H16 N3 O8 Sm Zn -","- C20 H16 N3 O8 Sm Zn -","- C120 H96 N18 O48 Sm6 Zn6 -","6","0.5","","He, Xingxiang; Liu, Ying; Lv, Yun; Dong, Yayu; Hu, Gonghao; Zhou, Shuai; Xu, Yan","L- and D-[LnZn(IN)3(C2H4O2)]n (Ln = Eu, Sm, and Gd): Chiral Enantiomerically 3D 3d-4f Coordination Polymers Constructed by Interesting Butterfly-like Building Units and -[Ln-O-Zn]n- Helices.","Inorganic chemistry","2016","55","5","2048","2054","10.1021/acs.inorgchem.5b02372","","","0.71073","MoKα","","0.0324","0.0256","","","0.0565","0.0581","","","","","","1.103","","","","has coordinates","232071","2020-10-21","18:00:00",""
"4346934","11.2797","0.0005","11.2797","0.0005","27.575","0.003","90","","90","","120","","3038.4","0.4","296","2","296","2","","","","","","","","6","P 61 2 2","P 61 2 (0 0 5)","178","","","","- C20 H16 Eu N3 O8 Zn -","- C20 H16 Eu N3 O8 Zn -","- C120 H96 Eu6 N18 O48 Zn6 -","6","0.5","","He, Xingxiang; Liu, Ying; Lv, Yun; Dong, Yayu; Hu, Gonghao; Zhou, Shuai; Xu, Yan","L- and D-[LnZn(IN)3(C2H4O2)]n (Ln = Eu, Sm, and Gd): Chiral Enantiomerically 3D 3d-4f Coordination Polymers Constructed by Interesting Butterfly-like Building Units and -[Ln-O-Zn]n- Helices.","Inorganic chemistry","2016","55","5","2048","2054","10.1021/acs.inorgchem.5b02372","","","0.71073","MoKα","","0.0416","0.0352","","","0.0786","0.0807","","","","","","1.03","","","","has coordinates","232072","2020-10-21","18:00:00",""
"4346935","11.3355","0.0003","11.3355","0.0003","27.5239","0.0016","90","","90","","120","","3062.8","0.2","296","2","296","2","","","","","","","","6","P 65 2 2","P 65 2 (0 0 1)","179","","","","- C20 H16 Eu N3 O8 Zn -","- C20 H16 Eu N3 O8 Zn -","- C120 H96 Eu6 N18 O48 Zn6 -","6","0.5","","He, Xingxiang; Liu, Ying; Lv, Yun; Dong, Yayu; Hu, Gonghao; Zhou, Shuai; Xu, Yan","L- and D-[LnZn(IN)3(C2H4O2)]n (Ln = Eu, Sm, and Gd): Chiral Enantiomerically 3D 3d-4f Coordination Polymers Constructed by Interesting Butterfly-like Building Units and -[Ln-O-Zn]n- Helices.","Inorganic chemistry","2016","55","5","2048","2054","10.1021/acs.inorgchem.5b02372","","","0.71073","MoKα","","0.0313","0.0271","","","0.06","0.0611","","","","","","1.048","","","","has coordinates","232073","2020-10-21","18:00:00",""
"4346939","14.7775","0.0002","19.6688","0.0003","21.2458","0.0003","83.4024","0.0014","88.8922","0.0012","73.4501","0.0014","5879.6","0.15","100","0.1","100","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C61 H85 Fe K N7 O7 -","- C61 H85 Fe K N7 O7 -","- C244 H340 Fe4 K4 N28 O28 -","4","2","","Kundakarla, Nagabhushanam; Lindeman, Sergey; Rahman, Md Hafiz; Ryan, Michael D.","X-ray Structure and Properties of the Ferrous Octaethylporphyrin Nitroxyl Complex.","Inorganic chemistry","2016","55","5","2070","2075","10.1021/acs.inorgchem.5b02384","","x-ray","1.54184","CuKα","","0.0797","0.0625","","","0.1502","0.161","","","","","","1.021","","","","has coordinates,has disorder","232075","2020-10-21","18:00:00",""
"4346940","8.5139","0.0012","11.7941","0.0018","21.89","0.003","99.438","0.002","90.21","0.002","104.926","0.003","2092.7","0.5","123","","123","","","","","","","","","7","P -1","-P 1","2","","","","- C45 H39 B2 F8 N7 O2 Ru -","- C45 H39 B2 F8 N7 O2 Ru -","- C90 H78 B4 F16 N14 O4 Ru2 -","2","1","","Kobayashi, Katsuaki; Ohtsu, Hideki; Nozaki, Koichi; Kitagawa, Susumu; Tanaka, Koji","Photochemical Properties and Reactivity of a Ru Compound Containing an NAD/NADH-Functionalized 1,10-Phenanthroline Ligand.","Inorganic chemistry","2016","55","5","2076","2084","10.1021/acs.inorgchem.5b02390","","","0.71075","MoKα","","0.075","0.0683","","","0.1779","0.1853","","","","","","1.086","","","","has coordinates","232076","2020-10-21","18:00:00",""
"4346941","11.429","0.002","13.097","0.003","15.101","0.003","99.556","0.002","98.4","0.003","100.187","0.003","2157.8","0.8","123","","123","","","","","","","","","6","P -1","-P 1","2","","","","- C43 H35 F12 N9 P2 Ru -","- C43 H35 F12 N9 P2 Ru -","- C86 H70 F24 N18 P4 Ru2 -","2","1","","Kobayashi, Katsuaki; Ohtsu, Hideki; Nozaki, Koichi; Kitagawa, Susumu; Tanaka, Koji","Photochemical Properties and Reactivity of a Ru Compound Containing an NAD/NADH-Functionalized 1,10-Phenanthroline Ligand.","Inorganic chemistry","2016","55","5","2076","2084","10.1021/acs.inorgchem.5b02390","","","0.71075","MoKα","","0.0519","0.0484","","","0.1228","0.1263","","","","","","1.066","","","","has coordinates,has disorder","232077","2020-10-21","18:00:00",""
"4346943","11.0598","0.0007","16.9292","0.0011","11.8567","0.0008","90","","100.879","0.008","90","","2180.1","0.3","93","","93","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C41 H43 Mo O11 P S4 -","- C41 H43 Mo O11 P S4 -","- C82 H86 Mo2 O22 P2 S8 -","2","1","","Sugimoto, Hideki; Sato, Masanori; Asano, Kaori; Suzuki, Takeyuki; Mieda, Kaoru; Ogura, Takashi; Matsumoto, Takashi; Giles, Logan J.; Pokhrel, Amrit; Kirk, Martin L.; Itoh, Shinobu","A Model for the Active-Site Formation Process in DMSO Reductase Family Molybdenum Enzymes Involving Oxido-Alcoholato and Oxido-Thiolato Molybdenum(VI) Core Structures.","Inorganic chemistry","2016","55","4","1542","1550","10.1021/acs.inorgchem.5b02395","","","1.54187","CuKα","","0.0827","0.0556","","","0.1233","0.1335","","","","","","0.93","","","","has coordinates,has disorder","275194","2022-05-07","02:54:03",""
"4346954","9.5168","0.0001","20.2596","0.0002","12.0263","0.0002","90","","108.697","0.001","90","","2196.38","0.05","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Sm2(C3H3N4O2)4(NO3)2(C10N2H8)2","'Sm2(C3H3N4O2)4(NO3)2(C10N2)2'","","- C32 H28 N22 O14 Sm2 -","- C32 H28 N22 O14 Sm2 -","- C64 H56 N44 O28 Sm4 -","2","0.5","","Lu, Ying-Bing; Jiang, Xiao-Ming; Zhu, Shui-Dong; Du, Zi-Yi; Liu, Cai-Ming; Xie, Yong-Rong; Liu, Liang-Xian","Anion Effects on Lanthanide(III) Tetrazole-1-acetate Dinuclear Complexes Showing Slow Magnetic Relaxation and Photofluorescent Emission.","Inorganic chemistry","2016","55","8","3738","3749","10.1021/acs.inorgchem.5b02432","","","0.71073","MoKα","","0.0319","0.0255","","","0.0642","0.0683","","","","","","0.998","","","","has coordinates","232082","2020-10-21","18:00:00",""
"4346955","9.5075","0.0002","20.2434","0.0004","12.0072","0.0002","90","","108.743","0.001","90","","2188.4","0.07","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Eu2(C3H3N4O2)4(NO3)2(C10N2H8)2","'Eu2(C3H3N4O2)4(NO3)2(C10N2)2'","","- C32 H28 Eu2 N22 O14 -","- C32 H28 Eu2 N22 O14 -","- C64 H56 Eu4 N44 O28 -","2","0.5","","Lu, Ying-Bing; Jiang, Xiao-Ming; Zhu, Shui-Dong; Du, Zi-Yi; Liu, Cai-Ming; Xie, Yong-Rong; Liu, Liang-Xian","Anion Effects on Lanthanide(III) Tetrazole-1-acetate Dinuclear Complexes Showing Slow Magnetic Relaxation and Photofluorescent Emission.","Inorganic chemistry","2016","55","8","3738","3749","10.1021/acs.inorgchem.5b02432","","","0.71073","MoKα","","0.0437","0.0301","","","0.0615","0.0665","","","","","","1.008","","","","has coordinates","232082","2020-10-21","18:00:00",""
"4346956","9.5016","0.0002","20.2306","0.0004","11.9949","0.0002","90","","108.778","0.001","90","","2182.97","0.07","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Gd2(C3H3N4O2)4(NO3)2(C10N2H8)2","'Gd2(C3H3N4O2)4(NO3)2(C10N2)2'","","- C32 H28 Gd2 N22 O14 -","- C32 H28 Gd2 N22 O14 -","- C64 H56 Gd4 N44 O28 -","2","0.5","","Lu, Ying-Bing; Jiang, Xiao-Ming; Zhu, Shui-Dong; Du, Zi-Yi; Liu, Cai-Ming; Xie, Yong-Rong; Liu, Liang-Xian","Anion Effects on Lanthanide(III) Tetrazole-1-acetate Dinuclear Complexes Showing Slow Magnetic Relaxation and Photofluorescent Emission.","Inorganic chemistry","2016","55","8","3738","3749","10.1021/acs.inorgchem.5b02432","","","0.71073","MoKα","","0.0596","0.0368","","","0.0565","0.0636","","","","","","0.963","","","","has coordinates","232082","2020-10-21","18:00:00",""
"4346957","9.4897","0.0002","20.1798","0.0005","11.9862","0.0003","90","","108.852","0.001","90","","2172.23","0.09","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Tb2(C3H3N4O2)4(NO3)2(C10N2H8)2","'Tb2(C3H3N4O2)4(NO3)2(C10N2)2'","","- C32 H28 N22 O14 Tb2 -","- C32 H28 N22 O14 Tb2 -","- C64 H56 N44 O28 Tb4 -","2","0.5","","Lu, Ying-Bing; Jiang, Xiao-Ming; Zhu, Shui-Dong; Du, Zi-Yi; Liu, Cai-Ming; Xie, Yong-Rong; Liu, Liang-Xian","Anion Effects on Lanthanide(III) Tetrazole-1-acetate Dinuclear Complexes Showing Slow Magnetic Relaxation and Photofluorescent Emission.","Inorganic chemistry","2016","55","8","3738","3749","10.1021/acs.inorgchem.5b02432","","","0.71073","MoKα","","0.0516","0.0317","","","0.0593","0.0669","","","","","","0.985","","","","has coordinates","232082","2020-10-21","18:00:00",""
"4346958","9.4838","0.0001","20.1532","0.0003","11.9787","0.0001","90","","108.879","0.001","90","","2166.31","0.05","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Dy2(C3H3N4O2)4(NO3)2(C10N2H8)2","'Dy2(C3H3N4O2)4(NO3)2(C10N2H8)2'","","- C32 H28 Dy2 N22 O14 -","- C32 H28 Dy2 N22 O14 -","- C64 H56 Dy4 N44 O28 -","2","0.5","","Lu, Ying-Bing; Jiang, Xiao-Ming; Zhu, Shui-Dong; Du, Zi-Yi; Liu, Cai-Ming; Xie, Yong-Rong; Liu, Liang-Xian","Anion Effects on Lanthanide(III) Tetrazole-1-acetate Dinuclear Complexes Showing Slow Magnetic Relaxation and Photofluorescent Emission.","Inorganic chemistry","2016","55","8","3738","3749","10.1021/acs.inorgchem.5b02432","","","0.71073","MoKα","","0.0407","0.0271","","","0.0536","0.059","","","","","","1","","","","has coordinates","232082","2020-10-21","18:00:00",""
"4346959","10.4937","0.0001","17.7318","0.0003","10.9384","0.0001","90","","95.051","0.001","90","","2027.43","0.04","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","Dy(C3H3N4O2)4Cl2(C10N2H8)2","'Dy(C3H3N4O2)4Cl2(C10N2H8)2'","","- C32 H28 Cl2 Dy2 N20 O8 -","- C32 H28 Cl2 Dy2 N20 O8 -","- C64 H56 Cl4 Dy4 N40 O16 -","2","0.5","","Lu, Ying-Bing; Jiang, Xiao-Ming; Zhu, Shui-Dong; Du, Zi-Yi; Liu, Cai-Ming; Xie, Yong-Rong; Liu, Liang-Xian","Anion Effects on Lanthanide(III) Tetrazole-1-acetate Dinuclear Complexes Showing Slow Magnetic Relaxation and Photofluorescent Emission.","Inorganic chemistry","2016","55","8","3738","3749","10.1021/acs.inorgchem.5b02432","","","0.71073","MoKα","","0.0205","0.0185","","","0.0649","0.0674","","","","","","0.999","","","","has coordinates","232082","2020-10-21","18:00:00",""
"4346960","22.9885","0.0004","9.8856","0.0002","21.3011","0.0005","90","","115.452","0.002","90","","4370.96","0.17","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","Yb2(C3H3N4O2)4(NO3)2(C10N2H8)2","'Yb2(C3H3N4O2)4(NO3)2(C10N2H8)2'","","- C32 H28 N22 O14 Yb2 -","- C32 H28 N22 O14 Yb2 -","- C128 H112 N88 O56 Yb8 -","4","0.5","","Lu, Ying-Bing; Jiang, Xiao-Ming; Zhu, Shui-Dong; Du, Zi-Yi; Liu, Cai-Ming; Xie, Yong-Rong; Liu, Liang-Xian","Anion Effects on Lanthanide(III) Tetrazole-1-acetate Dinuclear Complexes Showing Slow Magnetic Relaxation and Photofluorescent Emission.","Inorganic chemistry","2016","55","8","3738","3749","10.1021/acs.inorgchem.5b02432","","","0.71073","MoKα","","0.0338","0.0255","","","0.0542","0.0584","","","","","","0.997","","","","has coordinates","232082","2020-10-21","18:00:00",""
"4346961","9.6685","0.0019","16.122","0.003","22.139","0.004","78.12","0.03","82.89","0.03","89.3","0.03","3350.7","1.2","120","2","120","2","","","","","","","","7","P -1","-P 1","2","","","","- C35 H30 B F2 N3 O6 W -","- C35 H30 B F2 N3 O6 W -","- C140 H120 B4 F8 N12 O24 W4 -","4","2","","Chu, Gong M.; Guerrero-Martínez, Andrés; Ramírez de Arellano, Carmen; Fernández, Israel; Sierra, Miguel A.","Remote Control by π-Conjugation of the Emissive Properties of Fischer Carbene-BODIPY Dyads.","Inorganic chemistry","2016","55","6","2737","2747","10.1021/acs.inorgchem.5b02448","","","0.71073","MoKα","","0.0263","0.0213","","","0.0623","0.0728","","","","","","1.172","","","","has coordinates","232083","2020-10-21","18:00:00",""
"4346962","23.356","0.0008","22.4995","0.0008","28.2725","0.0009","90","","99.633","0.0017","90","","14647.7","0.9","200","2","200","2","","","","","","","","9","P 1 21/c 1","-P 2ybc","14","","","","- C20 H210 Cu9 N5 Na12 O116.5 P10 Si W9 -","- C20 H45 Cu9 N5 Na11.5 O116.5 P10 Si W9 -","- C80 H180 Cu36 N20 Na46 O466 P40 Si4 W36 -","4","1","","Oms, Olivier; Yang, Shu; Salomon, William; Marrot, Jérôme; Dolbecq, Anne; Rivière, Eric; Bonnefont, Antoine; Ruhlmann, Laurent; Mialane, Pierre","Heteroanionic Materials Based on Copper Clusters, Bisphosphonates, and Polyoxometalates: Magnetic Properties and Comparative Electrocatalytic NO(x) Reduction Studies.","Inorganic chemistry","2016","55","4","1551","1561","10.1021/acs.inorgchem.5b02456","","","0.71073","MoKα","","0.1398","0.0827","","","0.189","0.2191","","","","","","1.072","","","","has coordinates","232084","2020-10-21","18:00:00",""
"4346963","22.384","0.003","32.34","0.004","34.221","0.004","75.951","0.004","78.016","0.005","78.695","0.005","23229","5","200","2","200","2","","","","","","","","11","P -1","-P 1","2","","","","- C48 H443 Cl Cu24 Li32 N12 Na5 O323.5 P24 Sb4 W36 -","- C48 H108 Cl Cu24 N12 Na3 O321.25 P24 Sb4 W36 -","- C96 H216 Cl2 Cu48 N24 Na6 O642.5 P48 Sb8 W72 -","2","1","","Oms, Olivier; Yang, Shu; Salomon, William; Marrot, Jérôme; Dolbecq, Anne; Rivière, Eric; Bonnefont, Antoine; Ruhlmann, Laurent; Mialane, Pierre","Heteroanionic Materials Based on Copper Clusters, Bisphosphonates, and Polyoxometalates: Magnetic Properties and Comparative Electrocatalytic NO(x) Reduction Studies.","Inorganic chemistry","2016","55","4","1551","1561","10.1021/acs.inorgchem.5b02456","","","0.71073","MoKα","","0.1257","0.0918","","","0.2469","0.2679","","","","","","1.031","","","","has coordinates","232084","2020-10-21","18:00:00",""
"4346964","32.256","0.003","28.454","0.003","27.131","0.002","90","","93.4","0.004","90","","24857","4","200","2","200","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C16 H36 Cu10 N4 Na10 O181 P12 W30 -","- C16 H36 Cu10 N4 Na10 O181 P12 W30 -","- C64 H144 Cu40 N16 Na40 O724 P48 W120 -","4","1","","Oms, Olivier; Yang, Shu; Salomon, William; Marrot, Jérôme; Dolbecq, Anne; Rivière, Eric; Bonnefont, Antoine; Ruhlmann, Laurent; Mialane, Pierre","Heteroanionic Materials Based on Copper Clusters, Bisphosphonates, and Polyoxometalates: Magnetic Properties and Comparative Electrocatalytic NO(x) Reduction Studies.","Inorganic chemistry","2016","55","4","1551","1561","10.1021/acs.inorgchem.5b02456","","","0.71073","MoKα","","0.1101","0.0806","","","0.2163","0.2422","","","","","","1.037","","","","has coordinates","232084","2020-10-21","18:00:00",""
"4346978","31.467","0.002","16.3441","0.0012","23.6397","0.0017","90","","90","","90","","12157.9","1.5","100","2","100","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C78 H112 N30 O36 Pd3 -","- C78 H72 N30 O16 Pd3 -","- C312 H288 N120 O64 Pd12 -","4","0.5","","Samanta, Dipak; Chowdhury, Aniket; Mukherjee, Partha Sarathi","Covalent Postassembly Modification and Water Adsorption of Pd3 Self-Assembled Trinuclear Barrels.","Inorganic chemistry","2016","55","4","1562","1568","10.1021/acs.inorgchem.5b02464","","","0.71073","MoKα","","0.1115","0.0904","","","0.2213","0.2341","","","","","","1.213","","","","has coordinates","232086","2020-10-21","18:00:00",""
"4346979","21.2928","0.0008","21.2928","0.0008","25.9195","0.0009","90","","90","","120","","10177.1","0.6","100","2","100","2","","","","","","","","5","P 63/m","-P 6c","176","","","","- C144 H242 N36 O82 Pd3 -","- C144 H114 N36 O18 Pd3 -","- C288 H228 N72 O36 Pd6 -","2","0.166667","","Samanta, Dipak; Chowdhury, Aniket; Mukherjee, Partha Sarathi","Covalent Postassembly Modification and Water Adsorption of Pd3 Self-Assembled Trinuclear Barrels.","Inorganic chemistry","2016","55","4","1562","1568","10.1021/acs.inorgchem.5b02464","","","0.71073","MoKα","","0.1293","0.1066","","","0.3301","0.3464","","","","","","1.372","","","","has coordinates","232086","2020-10-21","18:00:00",""
"4346980","10.7012","0.0014","10.7012","0.0014","20.408","0.003","90","","90","","90","","2337","0.6","120","2","120","2","","","","","","","","4","I -4 2 m","I -4 2","121","","","","- C8 H4 Dy5 O22 -","- C8 H4 Dy5 O22 -","- C32 H16 Dy20 O88 -","4","0.25","","Biswas, Soumava; Mondal, Amit Kumar; Konar, Sanjit","Densely Packed Lanthanide Cubane Based 3D Metal-Organic Frameworks for Efficient Magnetic Refrigeration and Slow Magnetic Relaxation.","Inorganic chemistry","2016","55","5","2085","2090","10.1021/acs.inorgchem.5b02486","","","0.71073","MoKα","","0.0189","0.0187","","","0.0507","0.0508","","","","","","1.119","","","","has coordinates","232087","2020-10-21","18:00:00",""
"4346981","10.925","0.002","10.925","0.002","20.461","0.005","90","","90","","90","","2442.1","0.9","120","2","120","2","","","","","","","","4","I -4 2 m","I -4 2","121","","","","- C8 H6 Gd5 O22 -","- C8 H6 Gd5 O22 -","- C32 H24 Gd20 O88 -","4","0.25","","Biswas, Soumava; Mondal, Amit Kumar; Konar, Sanjit","Densely Packed Lanthanide Cubane Based 3D Metal-Organic Frameworks for Efficient Magnetic Refrigeration and Slow Magnetic Relaxation.","Inorganic chemistry","2016","55","5","2085","2090","10.1021/acs.inorgchem.5b02486","","","0.71073","MoKα","","0.019","0.019","","","0.0461","0.0461","","","","","","1.1494","","","","has coordinates","232088","2020-10-21","18:00:00",""
"4346982","7.917","0.003","9.545","0.004","13.778","0.005","75.536","0.006","74.93","0.005","76.395","0.005","957.2","0.6","293","2","293","2","","","","","","","","6","P 1","P 1","1","","","","- C34 H33 N6 O Pt S8 -","- C34 H33 N6 O Pt S8 -","- C34 H33 N6 O Pt S8 -","1","1","","Attar, Salahuddin; Espa, Davide; Artizzu, Flavia; Mercuri, M. Laura; Serpe, Angela; Sessini, Elisa; Concas, Giorgio; Congiu, Francesco; Marchiò, Luciano; Deplano, Paola","A Platinum-Dithiolene Monoanionic Salt Exhibiting Multiproperties, Including Room-Temperature Proton-Dependent Solution Luminescence.","Inorganic chemistry","2016","55","11","5118","5126","10.1021/acs.inorgchem.5b02491","","","0.71073","MoKα","","0.062","0.0533","","","0.1351","0.1417","","","","","","1.01","","","","has coordinates","232089","2020-10-21","18:00:00",""
"4346983","9.2652","0.0004","12.1614","0.0006","18.5275","0.0008","98.082","0.004","91.505","0.003","106.332","0.004","1978.74","0.16","180","2","180","2","","","","","","","","6","P -1","-P 1","2","","","","- C42 H48 N Ni P2 Si2 -","- C42 H48 N Ni P2 Si2 -","- C84 H96 N2 Ni2 P4 Si4 -","2","1","","Lin, Weiquan; Bodenstein, Tilmann; Mereacre, Valeriu; Fink, Karin; Eichhöfer, Andreas","Field-Induced Slow Magnetic Relaxation in the Ni(I) Complexes [NiCl(PPh3)2]·C4H8O and [Ni(N(SiMe3)2)(PPh3)2].","Inorganic chemistry","2016","55","5","2091","2100","10.1021/acs.inorgchem.5b02497","","","0.71073","MoKα","","0.0345","0.0257","","","0.0653","0.0678","","","","","","1.02","","","","has coordinates","232090","2020-10-21","18:00:00",""
"4346984","10.1391","0.0009","11.913","0.0006","17.539","0.0005","90","","102.792","0.004","90","","2065.9","0.2","150","1","150","1","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C43 H48 B4 N2 O6 Sn -","- C36 H40 B4 N2 O6 Sn -","- C72 H80 B8 N4 O12 Sn2 -","2","1","","Mairychová, Barbora; Kityk, I. V.; Maciag, Artur; Bureš, Filip; Klikar, Milan; Růžička, Aleš; Dostál, Libor; Jambor, Roman","N→Sn-Coordinated Stannaoxidoborates Containing a SnB4O6 Unit.","Inorganic chemistry","2016","55","4","1587","1594","10.1021/acs.inorgchem.5b02505","","","0.71073","MoKα","","0.0371","0.0307","","","0.0639","0.0675","","","","","","1.088","","","","has coordinates","232091","2020-10-21","18:00:00",""
"4346985","14.082","0.001","15.027","0.0006","22.8241","0.0017","90","","90","","90","","4829.8","0.5","150","1","150","1","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C43 H44 B4 Br4 N2 O6 Sn -","- C36 H36 B4 Br4 N2 O6 Sn -","- C144 H144 B16 Br16 N8 O24 Sn4 -","4","1","","Mairychová, Barbora; Kityk, I. V.; Maciag, Artur; Bureš, Filip; Klikar, Milan; Růžička, Aleš; Dostál, Libor; Jambor, Roman","N→Sn-Coordinated Stannaoxidoborates Containing a SnB4O6 Unit.","Inorganic chemistry","2016","55","4","1587","1594","10.1021/acs.inorgchem.5b02505","","","0.71073","MoKα","","0.0576","0.0389","","","0.0755","0.0855","","","","","","1.089","","","","has coordinates","232091","2020-10-21","18:00:00",""
"4346986","11.932","0.001","12.811","0.0004","18.6821","0.0014","98.795","0.004","95.177","0.005","114.518","0.005","2529.9","0.3","150","1","150","1","","","","","","","","7","P -1","-P 1","2","","","","- C44 H32 B4 F24 N2 O6 Sn -","- C44 H32 B4 F24 N2 O6 Sn -","- C88 H64 B8 F48 N4 O12 Sn2 -","2","1","","Mairychová, Barbora; Kityk, I. V.; Maciag, Artur; Bureš, Filip; Klikar, Milan; Růžička, Aleš; Dostál, Libor; Jambor, Roman","N→Sn-Coordinated Stannaoxidoborates Containing a SnB4O6 Unit.","Inorganic chemistry","2016","55","4","1587","1594","10.1021/acs.inorgchem.5b02505","","","0.71073","MoKα","","0.078","0.0617","","","0.156","0.1694","","","","","","1.186","","","","has coordinates","232091","2020-10-21","18:00:00",""
"4346987","9.439","0.004","12.872","0.005","13.924","0.005","72.45","0.006","77.057","0.006","77.615","0.006","1552.2","1.1","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H20 Ir N3 O3 -","- C28 H20 Ir N3 O3 -","- C56 H40 Ir2 N6 O6 -","2","1","","Yi, Seungjun; Kim, Jin-Hyoung; Cho, Yang-Jin; Lee, Jiwon; Choi, Tae-Sup; Cho, Dae Won; Pac, Chyongjin; Han, Won-Sik; Son, Ho-Jin; Kang, Sang Ook","Stable Blue Phosphorescence Iridium(III) Cyclometalated Complexes Prompted by Intramolecular Hydrogen Bond in Ancillary Ligand.","Inorganic chemistry","2016","55","7","3324","3331","10.1021/acs.inorgchem.5b02511","","","0.71073","MoKα","","0.0495","0.0428","","","0.113","0.1146","","","","","","1.02","","","","has coordinates","232092","2020-10-21","18:00:00",""
"4346988","9.277","0.004","24.613","0.011","25.517","0.011","90","","90","","90","","5826","4","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C29 H22 Ir N3 O3 -","- C29 H22 Ir N3 O3 -","- C232 H176 Ir8 N24 O24 -","8","2","","Yi, Seungjun; Kim, Jin-Hyoung; Cho, Yang-Jin; Lee, Jiwon; Choi, Tae-Sup; Cho, Dae Won; Pac, Chyongjin; Han, Won-Sik; Son, Ho-Jin; Kang, Sang Ook","Stable Blue Phosphorescence Iridium(III) Cyclometalated Complexes Prompted by Intramolecular Hydrogen Bond in Ancillary Ligand.","Inorganic chemistry","2016","55","7","3324","3331","10.1021/acs.inorgchem.5b02511","","","0.71073","MoKα","","0.1075","0.0605","","","0.152","0.1744","","","","","","0.887","","","","has coordinates","232092","2020-10-21","18:00:00",""
"4346989","11.895","0.003","13.313","0.003","14.62","0.003","88.975","0.006","77.047","0.006","85.141","0.006","2248.2","0.9","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C43 H35 Cl N8 O6 Ru -","- C43 H35 Cl N8 O6 Ru -","- C86 H70 Cl2 N16 O12 Ru2 -","2","1","","Mandal, Abhishek; Hoque, Md Asmaul; Grupp, Anita; Paretzki, Alexa; Kaim, Wolfgang; Lahiri, Goutam Kumar","Analysis of Redox Series of Unsymmetrical 1,4-Diamido-9,10-anthraquinone-Bridged Diruthenium Compounds.","Inorganic chemistry","2016","55","5","2146","2156","10.1021/acs.inorgchem.5b02541","","","0.7107","MoKα","","0.0458","0.0429","","","0.1103","0.1122","","","","","","1.1","","","","has coordinates","232093","2020-10-21","18:00:00",""
"4346990","12.143","0.004","12.99","0.006","15.367","0.006","85.521","0.013","71.358","0.011","84.83","0.015","2284.3","1.6","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C44 H38 Cl N6 O10 Ru2 -","- C44 H38 Cl N6 O10 Ru2 -","- C88 H76 Cl2 N12 O20 Ru4 -","2","1","","Mandal, Abhishek; Hoque, Md Asmaul; Grupp, Anita; Paretzki, Alexa; Kaim, Wolfgang; Lahiri, Goutam Kumar","Analysis of Redox Series of Unsymmetrical 1,4-Diamido-9,10-anthraquinone-Bridged Diruthenium Compounds.","Inorganic chemistry","2016","55","5","2146","2156","10.1021/acs.inorgchem.5b02541","","","0.7107","MoKα","","0.0645","0.0492","","","0.1219","0.141","","","","","","1.106","","","","has coordinates","232094","2020-10-21","18:00:00",""
"4346991","16.335","0.003","22.032","0.004","20.936","0.004","90","","111.393","0.002","90","","7016","2","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C35 H26.5 Cl N6.25 O6.25 Ru -","- C35 H26.5 Cl N6.5 O6 Ru -","- C280 H212 Cl8 N52 O48 Ru8 -","8","4","","Mandal, Abhishek; Hoque, Md Asmaul; Grupp, Anita; Paretzki, Alexa; Kaim, Wolfgang; Lahiri, Goutam Kumar","Analysis of Redox Series of Unsymmetrical 1,4-Diamido-9,10-anthraquinone-Bridged Diruthenium Compounds.","Inorganic chemistry","2016","55","5","2146","2156","10.1021/acs.inorgchem.5b02541","","","0.7107","MoKα","","0.0765","0.068","","","0.1449","0.1522","","","","","","1.083","","","","has coordinates","232095","2020-10-21","18:00:00",""
"4346992","22.355","0.009","12.053","0.005","23.122","0.009","90","","93.75","0.006","90","","6217","4","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C56 H42 Cl2 N12 O10 Ru2 -","- C56 H43 Cl2 N12 O10 Ru2 -","- C224 H172 Cl8 N48 O40 Ru8 -","4","1","","Mandal, Abhishek; Hoque, Md Asmaul; Grupp, Anita; Paretzki, Alexa; Kaim, Wolfgang; Lahiri, Goutam Kumar","Analysis of Redox Series of Unsymmetrical 1,4-Diamido-9,10-anthraquinone-Bridged Diruthenium Compounds.","Inorganic chemistry","2016","55","5","2146","2156","10.1021/acs.inorgchem.5b02541","","","0.7107","MoKα","","0.0889","0.0781","","","0.1716","0.1787","","","","","","1.146","","","","has coordinates,has disorder","232096","2020-10-21","18:00:00",""
"4346993","13.641","0.004","18.541","0.005","19.146","0.005","90","","99.522","0.003","90","","4776","2","296","2","296","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C51 H41 Cu F6 N3 O P3 -","- C51 H41 Cu F6 N3 O P3 -","- C204 H164 Cu4 F24 N12 O4 P12 -","4","1","","Wang, Zhiqiang; Zheng, Caijun; Wang, Weizhou; Xu, Chen; Ji, Baoming; Zhang, Xiaohong","Synthesis, Structure, and Photophysical Properties of Two Four-Coordinate Cu(I)-NHC Complexes with Efficient Delayed Fluorescence.","Inorganic chemistry","2016","55","5","2157","2164","10.1021/acs.inorgchem.5b02546","","","0.71073","MoKα","","0.1505","0.0706","","","0.1799","0.2333","","","","","","1.003","","","","has coordinates","232097","2020-10-21","18:00:00",""
"4346994","11.693","0.007","14.036","0.009","17.443","0.011","92.066","0.009","106.261","0.008","109.85","0.008","2558","3","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C59 H45 Cu F6 N3 O P3 -","- C59 H45 Cu F6 N3 O P3 -","- C118 H90 Cu2 F12 N6 O2 P6 -","2","1","","Wang, Zhiqiang; Zheng, Caijun; Wang, Weizhou; Xu, Chen; Ji, Baoming; Zhang, Xiaohong","Synthesis, Structure, and Photophysical Properties of Two Four-Coordinate Cu(I)-NHC Complexes with Efficient Delayed Fluorescence.","Inorganic chemistry","2016","55","5","2157","2164","10.1021/acs.inorgchem.5b02546","","","0.71073","MoKα","","0.1064","0.0541","","","0.1044","0.1253","","","","","","0.996","","","","has coordinates","232097","2020-10-21","18:00:00",""
"4346995","20.163","0.013","10.257","0.007","17.948","0.012","90","","111.939","0.007","90","","3443","4","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C30 H26 Ag2 F12 N6 P2 -","- C30 H26 Ag2 F12 N6 P2 -","- C120 H104 Ag8 F48 N24 P8 -","4","0.5","","Wang, Zhiqiang; Zheng, Caijun; Wang, Weizhou; Xu, Chen; Ji, Baoming; Zhang, Xiaohong","Synthesis, Structure, and Photophysical Properties of Two Four-Coordinate Cu(I)-NHC Complexes with Efficient Delayed Fluorescence.","Inorganic chemistry","2016","55","5","2157","2164","10.1021/acs.inorgchem.5b02546","","","0.71073","MoKα","","0.0598","0.0411","","","0.0975","0.1099","","","","","","1.042","","","","has coordinates","232097","2020-10-21","18:00:00",""
"4346996","15.7258","0.0003","13.4205","0.0002","26.7709","0.0003","90","","92.426","0.001","90","","5644.88","0.15","100","2","100","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C20 H21 Cl F12 N5 O1.5 P2 Ru -","- C20 H21 Cl F12 N5 O1.5 P2 Ru -","- C160 H168 Cl8 F96 N40 O12 P16 Ru8 -","8","2","","Khadeeva, Liya; Kaszub, Wawrzyniec; Lorenc, Maciej; Malfant, Isabelle; Buron-Le Cointe, Marylise","Two-Step Photon Absorption Driving the Chemical Reaction in the Model Ruthenium Nitrosyl System [Ru(py)4Cl(NO)](PF6)2·(1)/2H2O.","Inorganic chemistry","2016","55","9","4117","4123","10.1021/acs.inorgchem.5b02572","","","0.71069","MoKα","","0.0847","0.0387","","","0.0622","0.0681","","","","","","0.795","","","","has coordinates","251896","2020-10-21","18:00:00",""
"4346997","15.7599","0.0003","13.4123","0.0002","26.7927","0.0004","90","","92.576","0.001","90","","5657.62","0.16","100","2","100","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C20 H21 Cl F12 N5 O1.5 P2 Ru -","- C20 H21 Cl F12 N5 O1.5 P2 Ru -","- C160 H168 Cl8 F96 N40 O12 P16 Ru8 -","8","2","","Khadeeva, Liya; Kaszub, Wawrzyniec; Lorenc, Maciej; Malfant, Isabelle; Buron-Le Cointe, Marylise","Two-Step Photon Absorption Driving the Chemical Reaction in the Model Ruthenium Nitrosyl System [Ru(py)4Cl(NO)](PF6)2·(1)/2H2O.","Inorganic chemistry","2016","55","9","4117","4123","10.1021/acs.inorgchem.5b02572","","","0.71069","MoKα","","0.0803","0.0384","","","0.0594","0.0643","","","","","","0.786","","","","has coordinates","254024","2020-10-21","18:00:00",""
"4346998","7.293","0.0015","9.006","0.0018","9.685","0.0019","113.14","0.03","100.38","0.03","100.33","0.03","552.9","0.3","190","2","190","2","","","","","","","","5","P -1","-P 1","2","","","","- C4 H16 Cl3 Cu N2 -","- C4 H16 Cl3 Cu N2 -","- C8 H32 Cl6 Cu2 N4 -","2","1","","Becker, Sabine; Dürr, Maximilian; Miska, Andreas; Becker, Jonathan; Gawlig, Christopher; Behrens, Ulrich; Ivanović-Burmazović, Ivana; Schindler, Siegfried","Copper Chloride Catalysis: Do μ4-Oxido Copper Clusters Play a Significant Role?","Inorganic chemistry","2016","55","8","3759","3766","10.1021/acs.inorgchem.5b02576","","","0.71073","MoKα","","0.0305","0.0253","","","0.0588","0.0607","","","","","","1.051","","","","has coordinates","232100","2020-10-21","18:00:00",""
"4346999","7.962","0.0016","11.483","0.002","11.325","0.002","90","","90","","90","","1035.4","0.3","190","2","190","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C4 H12 Cl2 Cu O2 S2 -","- C4 H12 Cl2 Cu O2 S2 -","- C16 H48 Cl8 Cu4 O8 S8 -","4","0.5","","Becker, Sabine; Dürr, Maximilian; Miska, Andreas; Becker, Jonathan; Gawlig, Christopher; Behrens, Ulrich; Ivanović-Burmazović, Ivana; Schindler, Siegfried","Copper Chloride Catalysis: Do μ4-Oxido Copper Clusters Play a Significant Role?","Inorganic chemistry","2016","55","8","3759","3766","10.1021/acs.inorgchem.5b02576","","","0.71073","MoKα","","0.0288","0.0229","","","0.0566","0.0588","","","","","","1.066","","","","has coordinates","232101","2020-10-21","18:00:00",""
"4347000","6.737","0.002","6.1293","0.0015","16.438","0.006","90","","105.91","0.03","90","","652.8","0.4","190","2","190","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C4 H6 Cl6 Cu3 N2 -","- C4 H6 Cl6 Cu3 N2 -","- C8 H12 Cl12 Cu6 N4 -","2","0.5","","Becker, Sabine; Dürr, Maximilian; Miska, Andreas; Becker, Jonathan; Gawlig, Christopher; Behrens, Ulrich; Ivanović-Burmazović, Ivana; Schindler, Siegfried","Copper Chloride Catalysis: Do μ4-Oxido Copper Clusters Play a Significant Role?","Inorganic chemistry","2016","55","8","3759","3766","10.1021/acs.inorgchem.5b02576","","","0.71073","MoKα","","0.0236","0.0209","","","0.0459","0.0467","","","","","","1.134","","","","has coordinates","232103","2020-10-21","18:00:00",""
"4347001","17.836","0.004","3.284","0.0007","9.593","0.0019","90","","93.88","0.03","90","","560.6","0.2","190","2","190","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C1.5 H5 Cl2 Cu O1.5 -","- C1.5 H5 Cl2 Cu O1.5 -","- C6 H20 Cl8 Cu4 O6 -","4","0.5","","Becker, Sabine; Dürr, Maximilian; Miska, Andreas; Becker, Jonathan; Gawlig, Christopher; Behrens, Ulrich; Ivanović-Burmazović, Ivana; Schindler, Siegfried","Copper Chloride Catalysis: Do μ4-Oxido Copper Clusters Play a Significant Role?","Inorganic chemistry","2016","55","8","3759","3766","10.1021/acs.inorgchem.5b02576","","","0.71073","MoKα","","0.0656","0.0469","","","0.0987","0.1101","","","","","","1.184","","","","has coordinates","232104","2020-10-21","18:00:00",""
"4347002","9.924","0.002","13.194","0.003","15.652","0.003","84.35","0.03","74.98","0.03","74.68","0.03","1908.1","0.8","150","2","150","2","","","","","","","","6","P -1","-P 1","2","[Cu4OCl6(THF)(urea)3]*3THF*1urea","","","- C20 H48 Cl6 Cu4 N8 O9 -","- C20 H48 Cl6 Cu4 N8 O9 -","- C40 H96 Cl12 Cu8 N16 O18 -","2","1","","Becker, Sabine; Dürr, Maximilian; Miska, Andreas; Becker, Jonathan; Gawlig, Christopher; Behrens, Ulrich; Ivanović-Burmazović, Ivana; Schindler, Siegfried","Copper Chloride Catalysis: Do μ4-Oxido Copper Clusters Play a Significant Role?","Inorganic chemistry","2016","55","8","3759","3766","10.1021/acs.inorgchem.5b02576","","","0.71073","MoKα","","0.0564","0.0332","","","0.0734","0.0796","","","","","","0.964","","","","has coordinates","232105","2020-10-21","18:00:00",""
"4347003","11.376","0.002","11.0267","0.0019","9.7439","0.0018","90","","91.499","0.01","90","","1221.9","0.4","100","2","100","2","","","","","","","","5","C 1 m 1","C -2y","8","","","","- C16 H32 Cl6 Cu3 O4 -","- C16 H32 Cl6 Cu3 O4 -","- C32 H64 Cl12 Cu6 O8 -","2","0.5","","Becker, Sabine; Dürr, Maximilian; Miska, Andreas; Becker, Jonathan; Gawlig, Christopher; Behrens, Ulrich; Ivanović-Burmazović, Ivana; Schindler, Siegfried","Copper Chloride Catalysis: Do μ4-Oxido Copper Clusters Play a Significant Role?","Inorganic chemistry","2016","55","8","3759","3766","10.1021/acs.inorgchem.5b02576","","","0.71073","MoKα","","0.1012","0.0794","","","0.1764","0.1943","","","","","","1.133","","","","has coordinates,has disorder","232106","2020-10-21","18:00:00",""
"4347004","3.799","0.0008","7.908","0.0016","18.075","0.004","90","","89.94","0.03","90","","543","0.2","190","2","190","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","compound 2","","","- C4 H6 Cl4 Cu2 N2 -","- C4 H6 Cl4 Cu2 N2 -","- C8 H12 Cl8 Cu4 N4 -","2","0.5","","Becker, Sabine; Dürr, Maximilian; Miska, Andreas; Becker, Jonathan; Gawlig, Christopher; Behrens, Ulrich; Ivanović-Burmazović, Ivana; Schindler, Siegfried","Copper Chloride Catalysis: Do μ4-Oxido Copper Clusters Play a Significant Role?","Inorganic chemistry","2016","55","8","3759","3766","10.1021/acs.inorgchem.5b02576","","","0.71073","MoKα","","0.0959","0.0747","","","0.1936","0.2093","","","","","","1.041","","","","has coordinates","232107","2020-10-21","18:00:00",""
"4347005","13.6045","0.0005","18.3405","0.0007","13.6196","0.0005","90","","95.967","0.002","90","","3379.9","0.2","120","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C43 H33 Cu N P3 -","- C43 H33 Cu N P3 -","- C172 H132 Cu4 N4 P12 -","4","1","","Chakkaradhari, Gomathy; Chen, Yi-Ting; Karttunen, Antti J.; Dau, Minh Thuy; Jänis, Janne; Tunik, Sergey P.; Chou, Pi-Tai; Ho, Mei-Lin; Koshevoy, Igor O.","Luminescent Triphosphine Cyanide d(10) Metal Complexes.","Inorganic chemistry","2016","55","5","2174","2184","10.1021/acs.inorgchem.5b02581","","","0.71073","MoKα","","0.0666","0.0384","","","0.0809","0.0897","","","","","","1.011","","","","has coordinates","232108","2020-10-21","18:00:00",""
"4347006","13.636","0.0009","18.5685","0.0011","13.7211","0.0009","90","","95.446","0.003","90","","3458.5","0.4","120","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C43 H33 Ag N P3 -","- C43 H33 Ag N P3 -","- C172 H132 Ag4 N4 P12 -","4","1","","Chakkaradhari, Gomathy; Chen, Yi-Ting; Karttunen, Antti J.; Dau, Minh Thuy; Jänis, Janne; Tunik, Sergey P.; Chou, Pi-Tai; Ho, Mei-Lin; Koshevoy, Igor O.","Luminescent Triphosphine Cyanide d(10) Metal Complexes.","Inorganic chemistry","2016","55","5","2174","2184","10.1021/acs.inorgchem.5b02581","","","0.71073","MoKα","","0.0267","0.0213","","","0.0515","0.0545","","","","","","1.024","","","","has coordinates","232108","2020-10-21","18:00:00",""
"4347007","13.6772","0.0005","18.3326","0.0006","13.7369","0.0004","90","","95.96","0.002","90","","3425.8","0.2","120","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C43 H33 Au N P3 -","- C43 H33 Au N P3 -","- C172 H132 Au4 N4 P12 -","4","1","","Chakkaradhari, Gomathy; Chen, Yi-Ting; Karttunen, Antti J.; Dau, Minh Thuy; Jänis, Janne; Tunik, Sergey P.; Chou, Pi-Tai; Ho, Mei-Lin; Koshevoy, Igor O.","Luminescent Triphosphine Cyanide d(10) Metal Complexes.","Inorganic chemistry","2016","55","5","2174","2184","10.1021/acs.inorgchem.5b02581","","","0.71073","MoKα","","0.0249","0.0185","","","0.0416","0.0437","","","","","","1.018","","","","has coordinates","232108","2020-10-21","18:00:00",""
"4347008","17.0857","0.0012","17.1852","0.0012","17.312","0.002","105.562","0.004","107.131","0.004","112.836","0.003","4032.4","0.7","120","2","120","2","","","","","","","","9","P 1","P 1","1","","","","- C175 H138 Cl6 Cu4 F6 N2 O6 P12 S2 -","- C175 H138 Cl6 Cu4 F6 N2 O6 P12 S2 -","- C175 H138 Cl6 Cu4 F6 N2 O6 P12 S2 -","1","1","","Chakkaradhari, Gomathy; Chen, Yi-Ting; Karttunen, Antti J.; Dau, Minh Thuy; Jänis, Janne; Tunik, Sergey P.; Chou, Pi-Tai; Ho, Mei-Lin; Koshevoy, Igor O.","Luminescent Triphosphine Cyanide d(10) Metal Complexes.","Inorganic chemistry","2016","55","5","2174","2184","10.1021/acs.inorgchem.5b02581","","","0.71073","MoKα","","0.0554","0.0437","","","0.1111","0.1168","","","","","","1.009","","","","has coordinates,has disorder","232108","2020-10-21","18:00:00",""
"4347009","29.6803","0.0014","29.5784","0.0014","38.912","0.002","90","","97.585","0.003","90","","33862","3","120","2","120","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C85 H66 Ag2 B F4 N P6 -","- C85 H66 Ag2 B F4 N P6 -","- C1360 H1056 Ag32 B16 F64 N16 P96 -","16","2","","Chakkaradhari, Gomathy; Chen, Yi-Ting; Karttunen, Antti J.; Dau, Minh Thuy; Jänis, Janne; Tunik, Sergey P.; Chou, Pi-Tai; Ho, Mei-Lin; Koshevoy, Igor O.","Luminescent Triphosphine Cyanide d(10) Metal Complexes.","Inorganic chemistry","2016","55","5","2174","2184","10.1021/acs.inorgchem.5b02581","","","0.71073","MoKα","","0.1187","0.0987","","","0.2519","0.2652","","","","","","1.076","","","","has coordinates","232108","2020-10-21","18:00:00",""
"4347010","8.8166","0.0005","20.0524","0.0009","20.1719","0.0009","111.723","0.0013","94.2359","0.0014","93.0281","0.0014","3291.6","0.3","200","","200","","","","","","","","","8","P -1","-P 1","2","","","","- C64 H92 B2 Co0.8 F8 N6 O3.25 Zn0.2 -","- C64 H92 B2 Co0.8 F8 N6 O3.25 Zn0.2 -","- C128 H184 B4 Co1.6 F16 N12 O6.5 Zn0.4 -","2","1","","Ohtani, Ryo; Egawa, Saki; Nakaya, Manabu; Ohmagari, Hitomi; Nakamura, Masaaki; Lindoy, Leonard F.; Hayami, Shinya","Metal Dilution Effects on the Reverse Spin Transition in Mixed Crystals of Type [Co(1-x)Zn(x)(C16-terpy)2](BF4)2 (x = 0.1-0.7).","Inorganic chemistry","2016","55","7","3332","3337","10.1021/acs.inorgchem.5b02582","","","0.71075","MoKα","","0.093","0.068","","","0.1984","0.2151","","","","","","1.112","","","","has coordinates","232109","2020-10-21","18:00:00",""
"4347011","8.9929","0.0006","17.5868","0.0012","20.9347","0.0015","77.0947","0.0019","76.355","0.002","89.232","0.002","3133.5","0.4","93","","93","","","","","","","","","7","P -1","-P 1","2","","","","- C63 H84 B2 F8 N6 O3 Zn -","- C63 H84 B2 F8 N6 O3 Zn -","- C126 H168 B4 F16 N12 O6 Zn2 -","2","1","","Ohtani, Ryo; Egawa, Saki; Nakaya, Manabu; Ohmagari, Hitomi; Nakamura, Masaaki; Lindoy, Leonard F.; Hayami, Shinya","Metal Dilution Effects on the Reverse Spin Transition in Mixed Crystals of Type [Co(1-x)Zn(x)(C16-terpy)2](BF4)2 (x = 0.1-0.7).","Inorganic chemistry","2016","55","7","3332","3337","10.1021/acs.inorgchem.5b02582","","","0.71075","MoKα","","0.1071","0.07","","","0.1523","0.1702","","","","","","1.03","","","","has coordinates","232110","2020-10-21","18:00:00",""
"4347012","22.323","0.002","24.481","0.002","24.687","0.002","111.03","0.005","91.991","0.005","101.809","0.005","12239.3","1.9","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C45.5 H52 N9 O7.5 Zn2 -","- C45.5 H52 N9 O7.5 Zn2 -","- C364 H416 N72 O60 Zn16 -","8","4","","Mesquita, Lígia M; André, Vânia; Esteves, Catarina V.; Palmeira, Tiago; Berberan-Santos, Mário N; Mateus, Pedro; Delgado, Rita","Dinuclear Zinc(II) Macrocyclic Complex as Receptor for Selective Fluorescence Sensing of Pyrophosphate.","Inorganic chemistry","2016","55","5","2212","2219","10.1021/acs.inorgchem.5b02596","","","0.71069","MoKα","","0.1547","0.0786","","","0.2036","0.227","","","","","","0.874","","","","has coordinates","232111","2020-10-21","18:00:00",""
"4347013","15.241","0.003","16.224","0.001","16.494","0.001","112.344","0.003","110.278","0.005","94.082","0.004","3440.3","0.8","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","fac-Chlorotricarbonyl{2-(4'-bipyridyl)- 5,8,11,14,17-penta(tert-butyl)hexa-peri-hexabenzocoronene}rhenium(I)","","- C78 H67 Cl10 N2 O3 Re -","- C78 H67 Cl10 N2 O3 Re -","- C156 H134 Cl20 N4 O6 Re2 -","2","1","","Elliott, Anastasia B. S.; Horvath, Raphael; Sun, Xue-Zhong; Gardiner, Michael G.; Müllen, Klaus; Lucas, Nigel T.; George, Michael W.; Gordon, Keith C.","Long-Lived Charge Transfer Excited States in HBC-Polypyridyl Complex Hybrids.","Inorganic chemistry","2016","55","10","4710","4719","10.1021/acs.inorgchem.5b02602","","","0.7107","Synchrotron","","0.0651","0.0595","","","0.1523","0.1563","","","","","","1.029","","","","has coordinates","232112","2020-10-21","18:00:00",""
"4347014","13.7038","0.0001","15.2422","0.0001","17.1576","0.0002","90","","91.014","0.001","90","","3583.25","0.05","130.01","0.1","130.01","0.1","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C38 H32 B Cl2 F4 Ir N6 O -","- C38 H32 B Cl2 F4 Ir N6 O -","- C152 H128 B4 Cl8 F16 Ir4 N24 O4 -","4","1","","Connell, Timothy U.; White, Jonathan M.; Smith, Trevor A.; Donnelly, Paul S.","Luminescent Iridium(III) Cyclometalated Complexes with 1,2,3-Triazole ""Click"" Ligands.","Inorganic chemistry","2016","55","6","2776","2790","10.1021/acs.inorgchem.5b02607","","x-ray","1.54184","CuKα","","0.026","0.0221","","","0.0554","0.0586","","","","","","1.057","","","","has coordinates","232113","2020-10-21","18:00:00",""
"4347015","12.766","0.0006","14.2197","0.0009","14.6535","0.0008","66.207","0.006","83.125","0.004","66.905","0.005","2236.5","0.3","130.01","0.1","130.01","0.1","","","","","","","","7","P -1","-P 1","2","","","","- C39 H27 B Cl9 F8 Ir N6 -","- C39 H27 B Cl9 F8 Ir N6 -","- C78 H54 B2 Cl18 F16 Ir2 N12 -","2","1","","Connell, Timothy U.; White, Jonathan M.; Smith, Trevor A.; Donnelly, Paul S.","Luminescent Iridium(III) Cyclometalated Complexes with 1,2,3-Triazole ""Click"" Ligands.","Inorganic chemistry","2016","55","6","2776","2790","10.1021/acs.inorgchem.5b02607","","x-ray","1.54184","CuKα","","0.0588","0.0467","","","0.1027","0.1094","","","","","","0.988","","","","has coordinates,has disorder","232114","2020-10-21","18:00:00",""
"4347016","12.7547","0.0002","19.0611","0.0002","14.2521","0.0002","90","","99.237","0.001","90","","3420.02","0.08","130","0.1","130.01","0.1","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C36 H27 F6 Ir N7 O2 P -","- C36 H27 F6 Ir N7 O2 P -","- C144 H108 F24 Ir4 N28 O8 P4 -","4","1","","Connell, Timothy U.; White, Jonathan M.; Smith, Trevor A.; Donnelly, Paul S.","Luminescent Iridium(III) Cyclometalated Complexes with 1,2,3-Triazole ""Click"" Ligands.","Inorganic chemistry","2016","55","6","2776","2790","10.1021/acs.inorgchem.5b02607","","","0.7107","MoKα","","0.0479","0.0303","","","0.058","0.0654","","","","","","1.041","","","","has coordinates","232115","2020-10-21","18:00:00",""
"4347017","14.3335","0.0002","14.0572","0.0001","21.5094","0.0003","90","","105.679","0.001","90","","4172.64","0.09","130","0.1","130","0.1","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C45.5 H35 Cl3 F6 Ir N6 P -","- C45.5 H35 Cl3 F6 Ir N6 P -","- C182 H140 Cl12 F24 Ir4 N24 P4 -","4","1","","Connell, Timothy U.; White, Jonathan M.; Smith, Trevor A.; Donnelly, Paul S.","Luminescent Iridium(III) Cyclometalated Complexes with 1,2,3-Triazole ""Click"" Ligands.","Inorganic chemistry","2016","55","6","2776","2790","10.1021/acs.inorgchem.5b02607","","x-ray","1.54184","CuKα","","0.0399","0.0363","","","0.099","0.1028","","","","","","1.026","","","","has coordinates","232116","2020-10-21","18:00:00",""
"4347018","9.6232","0.0001","17.0053","0.0002","22.3048","0.0003","90","","90.591","0.001","90","","3649.88","0.08","130","0.1","130","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C44 H32 B F4 Ir N6 -","- C44 H32 B F4 Ir N6 -","- C176 H128 B4 F16 Ir4 N24 -","4","1","","Connell, Timothy U.; White, Jonathan M.; Smith, Trevor A.; Donnelly, Paul S.","Luminescent Iridium(III) Cyclometalated Complexes with 1,2,3-Triazole ""Click"" Ligands.","Inorganic chemistry","2016","55","6","2776","2790","10.1021/acs.inorgchem.5b02607","","","0.7107","MoKα","","0.0435","0.0289","","","0.0576","0.0623","","","","","","1.051","","","","has coordinates","232117","2020-10-21","18:00:00",""
"4347019","9.6124","0.0006","12.6634","0.0013","41.715","0.003","90","","93.43","0.005","90","","5068.7","0.7","130.01","0.1","130.01","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C61 H50 B Cl2 Ir N6 -","- C61 H50 B Cl2 Ir N6 -","- C244 H200 B4 Cl8 Ir4 N24 -","4","1","","Connell, Timothy U.; White, Jonathan M.; Smith, Trevor A.; Donnelly, Paul S.","Luminescent Iridium(III) Cyclometalated Complexes with 1,2,3-Triazole ""Click"" Ligands.","Inorganic chemistry","2016","55","6","2776","2790","10.1021/acs.inorgchem.5b02607","","","1.5418","CuKα","","0.1306","0.0779","","","0.1708","0.2035","","","","","","1.052","","","","has coordinates","232118","2020-10-21","18:00:00",""
"4347020","8.838","0.003","18.252","0.007","18.672","0.007","90","","99.33","0.02","90","","2972.2","1.9","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C26 H38 Cl2 N6 O12 -","- C26 H38 Cl2 N6 O12 -","- C104 H152 Cl8 N24 O48 -","4","1","","Rodríguez-Rodríguez, Aurora; Regueiro-Figueroa, Martín; Esteban-Gómez, David; Tripier, Raphaël; Tircsó, Gyula; Kálmán, Ferenc Krisztián; Bényei, Attila Csaba; Tóth, Imre; de Blas, Andrés; Rodríguez-Blas, Teresa; Platas-Iglesias, Carlos","Complexation of Ln(3+) Ions with Cyclam Dipicolinates: A Small Bridge that Makes Huge Differences in Structure, Equilibrium, and Kinetic Properties.","Inorganic chemistry","2016","55","5","2227","2239","10.1021/acs.inorgchem.5b02627","","x-ray","0.71073","MoKα","","0.1595","0.0797","","","0.1686","0.2086","","","","","","1.003","","","","has coordinates,has disorder","232119","2020-10-21","18:00:00",""
"4347021","17.7491","0.0005","15.1219","0.0004","12.1887","0.0003","90","","103.785","0.001","90","","3177.22","0.15","100","2","100","2","","","","","","","synthesis as described","6","C 1 2/c 1","-C 2yc","15","","","","- C26 H48 Cl Lu N6 O10 -","- C26 H48 Cl Lu N6 O10 -","- C104 H192 Cl4 Lu4 N24 O40 -","4","0.5","","Rodríguez-Rodríguez, Aurora; Regueiro-Figueroa, Martín; Esteban-Gómez, David; Tripier, Raphaël; Tircsó, Gyula; Kálmán, Ferenc Krisztián; Bényei, Attila Csaba; Tóth, Imre; de Blas, Andrés; Rodríguez-Blas, Teresa; Platas-Iglesias, Carlos","Complexation of Ln(3+) Ions with Cyclam Dipicolinates: A Small Bridge that Makes Huge Differences in Structure, Equilibrium, and Kinetic Properties.","Inorganic chemistry","2016","55","5","2227","2239","10.1021/acs.inorgchem.5b02627","","x-ray","0.71073","MoKα","","0.0149","0.0141","","","0.0369","0.0374","","","","","","1.055","","","","has coordinates","232119","2020-10-21","18:00:00",""
"4347022","13.5447","0.0006","16.3852","0.0006","14.1598","0.0006","90","","102.195","0.002","90","","3071.6","0.2","100","0.2","100","0.2","","","","","","","synthesis as described","6","C 1 2/c 1","-C 2yc","15","","","","- C26 H44 Cl La N6 O9 -","- C26 H44 Cl La N6 O9 -","- C104 H176 Cl4 La4 N24 O36 -","4","0.5","","Rodríguez-Rodríguez, Aurora; Regueiro-Figueroa, Martín; Esteban-Gómez, David; Tripier, Raphaël; Tircsó, Gyula; Kálmán, Ferenc Krisztián; Bényei, Attila Csaba; Tóth, Imre; de Blas, Andrés; Rodríguez-Blas, Teresa; Platas-Iglesias, Carlos","Complexation of Ln(3+) Ions with Cyclam Dipicolinates: A Small Bridge that Makes Huge Differences in Structure, Equilibrium, and Kinetic Properties.","Inorganic chemistry","2016","55","5","2227","2239","10.1021/acs.inorgchem.5b02627","","x-ray","0.71073","MoKα","","0.0265","0.023","","","0.0513","0.0528","","","","","","1.056","","","","has coordinates","232119","2020-10-21","18:00:00",""
"4347023","13.9271","0.0008","21.5806","0.0012","41.373","0.002","90","","90","","90","","12434.9","1.2","100","2","100","2","","","","","","","synthesis as described","7","P b c a","-P 2ac 2ab","61","","","","- C52 H78 F12 Gd2 N12 O13 P2 -","- C52 H78 F12 Gd2 N12 O13 P2 -","- C416 H624 F96 Gd16 N96 O104 P16 -","8","1","","Rodríguez-Rodríguez, Aurora; Regueiro-Figueroa, Martín; Esteban-Gómez, David; Tripier, Raphaël; Tircsó, Gyula; Kálmán, Ferenc Krisztián; Bényei, Attila Csaba; Tóth, Imre; de Blas, Andrés; Rodríguez-Blas, Teresa; Platas-Iglesias, Carlos","Complexation of Ln(3+) Ions with Cyclam Dipicolinates: A Small Bridge that Makes Huge Differences in Structure, Equilibrium, and Kinetic Properties.","Inorganic chemistry","2016","55","5","2227","2239","10.1021/acs.inorgchem.5b02627","","x-ray","0.71073","MoKα","","0.0869","0.0468","","","0.0887","0.1035","","","","","","1.026","","","","has coordinates,has disorder","232119","2020-10-21","18:00:00",""
"4347024","15.272","0.0008","25.666","0.0013","19.573","0.001","90","","111.425","0.003","90","","7141.9","0.7","100","2","100","2","","","","","","","synthesis as described","7","P 1 21/n 1","-P 2yn","14","","","","- C52 H92 F18 La N12 O16 P3 -","- C52 H92 F18 La N12 O16 P3 -","- C208 H368 F72 La4 N48 O64 P12 -","4","1","","Rodríguez-Rodríguez, Aurora; Regueiro-Figueroa, Martín; Esteban-Gómez, David; Tripier, Raphaël; Tircsó, Gyula; Kálmán, Ferenc Krisztián; Bényei, Attila Csaba; Tóth, Imre; de Blas, Andrés; Rodríguez-Blas, Teresa; Platas-Iglesias, Carlos","Complexation of Ln(3+) Ions with Cyclam Dipicolinates: A Small Bridge that Makes Huge Differences in Structure, Equilibrium, and Kinetic Properties.","Inorganic chemistry","2016","55","5","2227","2239","10.1021/acs.inorgchem.5b02627","","x-ray","0.71073","MoKα","","0.093","0.0531","","","0.1121","0.1309","","","","","","1.032","","","","has coordinates","232119","2020-10-21","18:00:00",""
"4347025","10.7944","0.0004","11.6488","0.0004","28.2797","0.0012","85.196","0.002","87.336","0.003","74.556","0.002","3414.4","0.2","100","2","100","2","","","","","","","synthesis as described","7","P -1","-P 1","2","","","","- C52 H84 F18 N12 O12 P3 Yb -","- C52 H84 F18 N12 O12 P3 Yb -","- C104 H168 F36 N24 O24 P6 Yb2 -","2","1","","Rodríguez-Rodríguez, Aurora; Regueiro-Figueroa, Martín; Esteban-Gómez, David; Tripier, Raphaël; Tircsó, Gyula; Kálmán, Ferenc Krisztián; Bényei, Attila Csaba; Tóth, Imre; de Blas, Andrés; Rodríguez-Blas, Teresa; Platas-Iglesias, Carlos","Complexation of Ln(3+) Ions with Cyclam Dipicolinates: A Small Bridge that Makes Huge Differences in Structure, Equilibrium, and Kinetic Properties.","Inorganic chemistry","2016","55","5","2227","2239","10.1021/acs.inorgchem.5b02627","","x-ray","0.71073","MoKα","","0.0489","0.0366","","","0.0758","0.0809","","","","","","1.038","","","","has coordinates","232119","2020-10-21","18:00:00",""
"4347026","16.036","0.0004","16.4812","0.0004","22.7258","0.0006","90","","107.432","0.002","90","","5730.4","0.3","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C52 H80 Cl Gd N12 O13 -","- C52 H80 Cl Gd N12 O13 -","- C208 H320 Cl4 Gd4 N48 O52 -","4","1","","Rodríguez-Rodríguez, Aurora; Regueiro-Figueroa, Martín; Esteban-Gómez, David; Tripier, Raphaël; Tircsó, Gyula; Kálmán, Ferenc Krisztián; Bényei, Attila Csaba; Tóth, Imre; de Blas, Andrés; Rodríguez-Blas, Teresa; Platas-Iglesias, Carlos","Complexation of Ln(3+) Ions with Cyclam Dipicolinates: A Small Bridge that Makes Huge Differences in Structure, Equilibrium, and Kinetic Properties.","Inorganic chemistry","2016","55","5","2227","2239","10.1021/acs.inorgchem.5b02627","","x-ray","0.71073","MoKα","","0.0728","0.0382","","","0.0812","0.0933","","","","","","1.037","","","","has coordinates,has disorder","232119","2020-10-21","18:00:00",""
"4347027","11.267","0.003","16.845","0.004","17.434","0.004","90","","104.795","0.004","90","","3199.1","1.4","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C31 H48 Au Cl O P2 -","- C31 H48 Au Cl O P2 -","- C124 H192 Au4 Cl4 O4 P8 -","4","1","","Hu, Ji-Yun; Zhang, Jing; Wang, Gao-Xiang; Sun, Hao-Ling; Zhang, Jun-Long","Constructing a Catalytic Cycle for C-F to C-X (X = O, S, N) Bond Transformation Based on Gold-Mediated Ligand Nucleophilic Attack.","Inorganic chemistry","2016","55","5","2274","2283","10.1021/acs.inorgchem.5b02634","","","0.71073","MoKα","","0.0479","0.0341","","","0.0788","0.0846","","","","","","1.027","","","","has coordinates","232120","2020-10-21","18:00:00",""
"4347028","22.1617","0.0017","15.9205","0.0012","11.9664","0.0009","90","","90","","90","","4222","0.6","296","2","296","2","","","","","","","","7","P n m a","-P 2ac 2n","62","","","","- C16.5 H26 Au0.5 Cl2 Ga0.5 O0.75 P -","- C16.5 H26 Au0.5 Cl2 Ga0.5 O0.75 P -","- C132 H208 Au4 Cl16 Ga4 O6 P8 -","8","1","","Hu, Ji-Yun; Zhang, Jing; Wang, Gao-Xiang; Sun, Hao-Ling; Zhang, Jun-Long","Constructing a Catalytic Cycle for C-F to C-X (X = O, S, N) Bond Transformation Based on Gold-Mediated Ligand Nucleophilic Attack.","Inorganic chemistry","2016","55","5","2274","2283","10.1021/acs.inorgchem.5b02634","","","0.71073","MoKα","","0.0599","0.0398","","","0.1157","0.128","","","","","","1.045","","","","has coordinates","232121","2020-10-21","18:00:00",""
"4347029","12.0778","0.0004","26.4908","0.0007","12.2698","0.0005","90","","117.926","0.005","90","","3468.6","0.3","180.01","0.1","180.01","0.1","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C34 H48 Au Cl F2.5 N0.5 O2 P2 -","- C34 H48 Au Cl F2.5 N0.5 O2 P2 -","- C136 H192 Au4 Cl4 F10 N2 O8 P8 -","4","1","","Hu, Ji-Yun; Zhang, Jing; Wang, Gao-Xiang; Sun, Hao-Ling; Zhang, Jun-Long","Constructing a Catalytic Cycle for C-F to C-X (X = O, S, N) Bond Transformation Based on Gold-Mediated Ligand Nucleophilic Attack.","Inorganic chemistry","2016","55","5","2274","2283","10.1021/acs.inorgchem.5b02634","","","0.7107","MoKα","","0.0326","0.0261","","","0.0579","0.061","","","","","","1.05","","","","has coordinates,has disorder","232122","2020-10-21","18:00:00",""
"4347030","12.4888","0.0003","25.2517","0.0007","28.0939","0.0011","90","","97.053","0.003","90","","8792.7","0.5","150","2","150","2","","","","","","","see text","8","P 1 21/c 1","-P 2ybc","14","","","","- C74 H73 B Br2 Cu3 F4 Fe P11 -","- C74 H73 B Br2 Cu3 F4 Fe P11 -","- C296 H292 B4 Br8 Cu12 F16 Fe4 P44 -","4","1","","Fleischmann, Martin; Dütsch, Luis; Elsayed Moussa, Mehdi; Balázs, Gábor; Kremer, Werner; Lescop, Christophe; Scheer, Manfred","Self-Assembly of Reactive Linear Cu3 Building Blocks for Supramolecular Coordination Chemistry and Their Reactivity toward E(n) Ligand Complexes.","Inorganic chemistry","2016","55","6","2840","2854","10.1021/acs.inorgchem.5b02641","","x-ray","0.71073","MoKα","","0.0743","0.056","","","0.1555","0.1696","","","","","","1.085","","","","has coordinates","232123","2020-10-21","18:00:00",""
"4347031","25.9617","0.0002","15.6931","0.0001","29.5724","0.0003","90","","94.798","0.001","90","","12006.2","0.17","123","1","123","1","","","","","","","see text","7","C 1 2/c 1","-C 2yc","15","","","","- C64 H58 B Br2 Cu3 F4 P6 -","- C64 H58 B Br2 Cu3 F4 P6 -","- C512 H464 B8 Br16 Cu24 F32 P48 -","8","1","","Fleischmann, Martin; Dütsch, Luis; Elsayed Moussa, Mehdi; Balázs, Gábor; Kremer, Werner; Lescop, Christophe; Scheer, Manfred","Self-Assembly of Reactive Linear Cu3 Building Blocks for Supramolecular Coordination Chemistry and Their Reactivity toward E(n) Ligand Complexes.","Inorganic chemistry","2016","55","6","2840","2854","10.1021/acs.inorgchem.5b02641","","x-ray","1.54178","CuKα","","0.0281","0.0256","","","0.0715","0.0726","","","","","","1.092","","","","has coordinates","232124","2020-10-21","18:00:00",""
"4347032","14.9976","0.0002","19.9846","0.0003","29.7143","0.0005","90","","90","","90","","8906","0.2","123","1","123","1","","","","","","","see text","10","P 21 21 21","P 2ac 2ab","19","","","","- C81 H74 B Cl6 Cu3 F4 I2 Mo2 O4 P8 -","- C81 H74 B Cl6 Cu3 F4 I2 Mo2 O4 P8 -","- C324 H296 B4 Cl24 Cu12 F16 I8 Mo8 O16 P32 -","4","1","","Fleischmann, Martin; Dütsch, Luis; Elsayed Moussa, Mehdi; Balázs, Gábor; Kremer, Werner; Lescop, Christophe; Scheer, Manfred","Self-Assembly of Reactive Linear Cu3 Building Blocks for Supramolecular Coordination Chemistry and Their Reactivity toward E(n) Ligand Complexes.","Inorganic chemistry","2016","55","6","2840","2854","10.1021/acs.inorgchem.5b02641","","x-ray","1.54178","CuKα","","0.0513","0.048","","","0.1282","0.1313","","","","","","1.027","","","","has coordinates","232125","2020-10-21","18:00:00",""
"4347033","12.649","0.0004","44.9781","0.0015","13.0564","0.0004","90","","111.149","0.003","90","","6927.8","0.4","123","1","123","1","","","","","","","see text","8","P 1 21/n 1","-P 2yn","14","","","","- C67 H64 B Br2 Cl6 Cu3 F4 P6 -","- C67 H64 B Br2 Cl6 Cu3 F4 P6 -","- C268 H256 B4 Br8 Cl24 Cu12 F16 P24 -","4","1","","Fleischmann, Martin; Dütsch, Luis; Elsayed Moussa, Mehdi; Balázs, Gábor; Kremer, Werner; Lescop, Christophe; Scheer, Manfred","Self-Assembly of Reactive Linear Cu3 Building Blocks for Supramolecular Coordination Chemistry and Their Reactivity toward E(n) Ligand Complexes.","Inorganic chemistry","2016","55","6","2840","2854","10.1021/acs.inorgchem.5b02641","","x-ray","1.54178","CuKα","","0.0484","0.0375","","","0.0982","0.1022","","","","","","1.127","","","","has coordinates","232126","2020-10-21","18:00:00",""
"4347034","20.159","0.0002","12.8028","0.0001","27.5537","0.0002","90","","97.607","0.001","90","","7048.8","0.1","123","1","123","1","","","","","","","see text","8","P 1 21/c 1","-P 2ybc","14","","","","- C132 H124 B2 Cl8 Cu6 F8 I4 P12 -","- C132 H124 B2 Cl8 Cu6 F8 I4 P12 -","- C264 H248 B4 Cl16 Cu12 F16 I8 P24 -","2","0.5","","Fleischmann, Martin; Dütsch, Luis; Elsayed Moussa, Mehdi; Balázs, Gábor; Kremer, Werner; Lescop, Christophe; Scheer, Manfred","Self-Assembly of Reactive Linear Cu3 Building Blocks for Supramolecular Coordination Chemistry and Their Reactivity toward E(n) Ligand Complexes.","Inorganic chemistry","2016","55","6","2840","2854","10.1021/acs.inorgchem.5b02641","","x-ray","1.5418","CuKα","","0.0487","0.0419","","","0.1269","0.1324","","","","","","1.057","","","","has coordinates,has disorder","232127","2020-10-21","18:00:00",""
"4347035","14.1918","0.0002","15.0336","0.0003","21.1593","0.0004","94.291","0.002","107.91","0.002","102.175","0.002","4151.42","0.15","122.97","0.19","122.97","0.19","","","","","","","","8","P -1","-P 1","2","","","","- C70 H67 B Cu3 F4 I2 N3 P6 -","- C70 H67 B Cu3 F4 I2 N3 P6 -","- C140 H134 B2 Cu6 F8 I4 N6 P12 -","2","1","","Fleischmann, Martin; Dütsch, Luis; Elsayed Moussa, Mehdi; Balázs, Gábor; Kremer, Werner; Lescop, Christophe; Scheer, Manfred","Self-Assembly of Reactive Linear Cu3 Building Blocks for Supramolecular Coordination Chemistry and Their Reactivity toward E(n) Ligand Complexes.","Inorganic chemistry","2016","55","6","2840","2854","10.1021/acs.inorgchem.5b02641","","","1.5418","CuKα","","0.0461","0.0368","","","0.0968","0.1026","","","","","","1.026","","","","has coordinates,has disorder","232128","2020-10-21","18:00:00",""
"4347036","15.60512","0.00013","31.7652","0.0002","14.0517","0.00013","90","","114.086","0.0011","90","","6358.96","0.1","123.02","0.1","123.02","0.1","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C65 H60 B Cl4 Cu3 F4 P6 -","- C65 H60 B Cl4 Cu3 F4 P6 -","- C260 H240 B4 Cl16 Cu12 F16 P24 -","4","1","","Fleischmann, Martin; Dütsch, Luis; Elsayed Moussa, Mehdi; Balázs, Gábor; Kremer, Werner; Lescop, Christophe; Scheer, Manfred","Self-Assembly of Reactive Linear Cu3 Building Blocks for Supramolecular Coordination Chemistry and Their Reactivity toward E(n) Ligand Complexes.","Inorganic chemistry","2016","55","6","2840","2854","10.1021/acs.inorgchem.5b02641","","x-ray","1.54184","CuKα","","0.0342","0.0324","","","0.0888","0.0899","","","","","","1.044","","","","has coordinates,has disorder","232130","2020-10-21","18:00:00",""
"4347037","12.9373","0.0002","13.4542","0.0002","21.4483","0.0002","88.2465","0.0011","73.3789","0.0011","77.9023","0.0014","3496.16","0.09","122.9","0.4","122.9","0.4","","","","","","","","9","P -1","-P 1","2","","","","- C72 H73.36 B Br2 Cu3 F4 N2 O P6 -","- C72 H73.36 B Br2 Cu3 F4 N2 O P6 -","- C144 H146.72 B2 Br4 Cu6 F8 N4 O2 P12 -","2","1","","Fleischmann, Martin; Dütsch, Luis; Elsayed Moussa, Mehdi; Balázs, Gábor; Kremer, Werner; Lescop, Christophe; Scheer, Manfred","Self-Assembly of Reactive Linear Cu3 Building Blocks for Supramolecular Coordination Chemistry and Their Reactivity toward E(n) Ligand Complexes.","Inorganic chemistry","2016","55","6","2840","2854","10.1021/acs.inorgchem.5b02641","","x-ray","1.54184","CuKα","","0.0449","0.0347","","","0.0967","0.1157","","","","","","1.138","","","","has coordinates,has disorder","232132","2020-10-21","18:00:00",""
"4347038","14.1533","0.0002","15.0547","0.0002","21.4267","0.0003","95.7164","0.0011","106.795","0.0013","101.52","0.0012","4222.04","0.11","122.9","0.6","122.9","0.6","","","","","","","","8","P -1","-P 1","2","","","","- C66 H62 B Cl4 Cu3 F4 I2 P6 -","- C66 H62 B Cl4 Cu3 F4 I2 P6 -","- C132 H124 B2 Cl8 Cu6 F8 I4 P12 -","2","1","","Fleischmann, Martin; Dütsch, Luis; Elsayed Moussa, Mehdi; Balázs, Gábor; Kremer, Werner; Lescop, Christophe; Scheer, Manfred","Self-Assembly of Reactive Linear Cu3 Building Blocks for Supramolecular Coordination Chemistry and Their Reactivity toward E(n) Ligand Complexes.","Inorganic chemistry","2016","55","6","2840","2854","10.1021/acs.inorgchem.5b02641","","x-ray","1.54184","CuKα","","0.0666","0.0553","","","0.1451","0.1504","","","","","","0.956","","","","has coordinates,has disorder","232133","2020-10-21","18:00:00",""
"4347039","12.7309","0.0007","21.1741","0.0015","14.8684","0.0013","90","","110.373","0.007","90","","3757.3","0.5","123","1","123","1","","","","","","","see text","10","P 1 21 1","P 2yb","4","","","","- C72 H65 B Br2 Cl2 Cu3 F4 Mo O2 P9 -","- C72 H65 B Br2 Cl2 Cu3 F4 Mo O2 P9 -","- C144 H130 B2 Br4 Cl4 Cu6 F8 Mo2 O4 P18 -","2","1","","Fleischmann, Martin; Dütsch, Luis; Elsayed Moussa, Mehdi; Balázs, Gábor; Kremer, Werner; Lescop, Christophe; Scheer, Manfred","Self-Assembly of Reactive Linear Cu3 Building Blocks for Supramolecular Coordination Chemistry and Their Reactivity toward E(n) Ligand Complexes.","Inorganic chemistry","2016","55","6","2840","2854","10.1021/acs.inorgchem.5b02641","","x-ray","0.71073","MoKα","","0.0438","0.0378","","","0.0834","0.087","","","","","","1.027","","","","has coordinates","232134","2020-10-21","18:00:00",""
"4347040","24.5036","0.0005","15.3314","0.0003","26.5971","0.0006","90","","98.126","0.002","90","","9891.5","0.4","123","0.2","123","0.2","","","","","","","","9","P 1 21/n 1","-P 2yn","14","","","","- C86.29 H92.58 B Cl4.58 Cu3 F4 Fe2 I2 P16 -","- C86.29 H92.58 B Cl4.58 Cu3 F4 Fe2 I2 P16 -","- C345.16 H370.32 B4 Cl18.32 Cu12 F16 Fe8 I8 P64 -","4","1","","Fleischmann, Martin; Dütsch, Luis; Elsayed Moussa, Mehdi; Balázs, Gábor; Kremer, Werner; Lescop, Christophe; Scheer, Manfred","Self-Assembly of Reactive Linear Cu3 Building Blocks for Supramolecular Coordination Chemistry and Their Reactivity toward E(n) Ligand Complexes.","Inorganic chemistry","2016","55","6","2840","2854","10.1021/acs.inorgchem.5b02641","","x-ray","1.54184","CuKα","","0.1111","0.1027","","","0.2593","0.2633","","","","","","1.089","","","","has coordinates,has disorder","232135","2020-10-21","18:00:00",""
"4347041","23.7257","0.0002","15.12645","0.00014","26.4442","0.0002","90","","99.9325","0.0009","90","","9348.2","0.14","123","1","123","1","","","","","","","","9","P 1 21/n 1","-P 2yn","14","","","","- C78 H68 B Cu3 F4 I2 Mo2 O4 P12 -","- C78 H68 B Cu3 F4 I2 Mo2 O4 P12 -","- C312 H272 B4 Cu12 F16 I8 Mo8 O16 P48 -","4","1","","Fleischmann, Martin; Dütsch, Luis; Elsayed Moussa, Mehdi; Balázs, Gábor; Kremer, Werner; Lescop, Christophe; Scheer, Manfred","Self-Assembly of Reactive Linear Cu3 Building Blocks for Supramolecular Coordination Chemistry and Their Reactivity toward E(n) Ligand Complexes.","Inorganic chemistry","2016","55","6","2840","2854","10.1021/acs.inorgchem.5b02641","","x-ray","1.54184","CuKα","","0.0588","0.0523","","","0.1441","0.1527","","","","","","1.043","","","","has coordinates,has disorder","232136","2020-10-21","18:00:00",""
"4347042","12.8572","0.0002","43.8609","0.0009","14.9221","0.0004","90","","95.004","0.002","90","","8382.9","0.3","123","1","123","1","","","","","","","see text","10","P 1 21/c 1","-P 2ybc","14","","","","- C80 H72 B Br2 Cl4 Cu3 F4 Mo2 O4 P8 -","- C80 H72 B Br2 Cl4 Cu3 F4 Mo2 O4 P8 -","- C320 H288 B4 Br8 Cl16 Cu12 F16 Mo8 O16 P32 -","4","1","","Fleischmann, Martin; Dütsch, Luis; Elsayed Moussa, Mehdi; Balázs, Gábor; Kremer, Werner; Lescop, Christophe; Scheer, Manfred","Self-Assembly of Reactive Linear Cu3 Building Blocks for Supramolecular Coordination Chemistry and Their Reactivity toward E(n) Ligand Complexes.","Inorganic chemistry","2016","55","6","2840","2854","10.1021/acs.inorgchem.5b02641","","x-ray","1.54178","CuKα","","0.0613","0.0497","","","0.1267","0.1356","","","","","","0.988","","","","has coordinates","232137","2020-10-21","18:00:00",""
"4347043","16.3524","0.0003","16.3524","0.0003","47.408","0.002","90","","90","","90","","12676.9","0.6","296","2","293","2","","","","","","","","6","P 43 21 2","P 4nw 2abw","96","","","","- C25 H64 Cu8 N3 Na5 O58 -","- C25 H64 Cu8 N3 Na4.999 O58 -","- C200 H512 Cu64 N24 Na39.992 O464 -","8","1","","Meng, Wei; Xu, Feng; Xu, Weijian","Enantiomerically Pure Chiral {Cu(II)32}-Based 2D-Layered Frameworks: From the Asymmetric Octacopper(II) Subcomponents to 3D Hierarchical Supramolecular Structures.","Inorganic chemistry","2016","55","6","2673","2675","10.1021/acs.inorgchem.5b02654","","","0.71073","MoKα","","0.121","0.0817","","","0.1917","0.2042","","","","","","1.068","","","","has coordinates,has disorder","232138","2020-10-21","18:00:00",""
"4347044","16.3201","0.0016","16.3201","0.0016","47.25","0.004","90","","90","","90","","12585","2","293","2","293","2","","","","","","","","6","P 41 21 2","P 4abw 2nw","92","","","","- C25 H64 Cu8 N3 Na5 O58 -","- C25 H64 Cu8 N3 Na5 O58 -","- C200 H512 Cu64 N24 Na40 O464 -","8","1","","Meng, Wei; Xu, Feng; Xu, Weijian","Enantiomerically Pure Chiral {Cu(II)32}-Based 2D-Layered Frameworks: From the Asymmetric Octacopper(II) Subcomponents to 3D Hierarchical Supramolecular Structures.","Inorganic chemistry","2016","55","6","2673","2675","10.1021/acs.inorgchem.5b02654","","","0.71073","MoKα","","0.1127","0.0882","","","0.1971","0.2071","","","","","","1.12","","","","has coordinates,has disorder","232139","2020-10-21","18:00:00",""
"4347045","27.694","0.002","15.8734","0.0011","18.5692","0.0015","90","","110.079","0.009","90","","7666.8","1.1","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C84 H84 N2 O20 Zn -","- C80 H60 O16 Zn -","- C320 H240 O64 Zn4 -","4","0.5","","Zhao, Si-Si; Yang, Jin; Liu, Ying-Ying; Ma, Jian-Fang","Fluorescent Aromatic Tag-Functionalized MOFs for Highly Selective Sensing of Metal Ions and Small Organic Molecules.","Inorganic chemistry","2016","55","5","2261","2273","10.1021/acs.inorgchem.5b02666","","","0.71073","MoKα","","0.1485","0.0926","","","0.2247","0.2469","","","","","","1.167","","","","has coordinates,has disorder","232140","2020-10-21","18:00:00",""
"4347046","13.369","0.0011","16.12","0.0013","16.459","0.0011","78.684","0.006","83.297","0.006","72.579","0.007","3312.2","0.5","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C67 H72 N O24 Zn2 -","- C67 H58 N O21 Zn2 -","- C134 H116 N2 O42 Zn4 -","2","1","","Zhao, Si-Si; Yang, Jin; Liu, Ying-Ying; Ma, Jian-Fang","Fluorescent Aromatic Tag-Functionalized MOFs for Highly Selective Sensing of Metal Ions and Small Organic Molecules.","Inorganic chemistry","2016","55","5","2261","2273","10.1021/acs.inorgchem.5b02666","","","0.71069","MoKα","","0.2159","0.1238","","","0.2576","0.2978","","","","","","1.226","","","","has coordinates,has disorder","232141","2020-10-21","18:00:00",""
"4347047","7.9092","0.0016","21.538","0.004","16.837","0.003","90","","102.87","0.03","90","","2796.1","1","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C22 H23 Au B3 F12 N5 -","- C22 H23 Au B3 F12 N5 -","- C88 H92 Au4 B12 F48 N20 -","4","1","","Corbo, Robert; Ryan, Gemma F.; Haghighatbin, Mohammad A.; Hogan, Conor F.; Wilson, David J. D.; Hulett, Mark D.; Barnard, Peter J.; Dutton, Jason L.","Access to the Parent Tetrakis(pyridine)gold(III) Trication, Facile Formation of Rare Au(III) Terminal Hydroxides, and Preliminary Studies of Biological Properties.","Inorganic chemistry","2016","55","6","2830","2839","10.1021/acs.inorgchem.5b02667","","","0.71073","MoKα","","0.0443","0.0314","","","0.0678","0.0742","","","","","","1.064","","","","has coordinates","232142","2020-10-21","18:00:00",""
"4347048","19.814","0.004","19.863","0.004","12.427","0.003","90","","90","","90","","4890.8","1.8","173","2","173","2","","","","","","","","6","C c c a :2","-C 2a 2ac","68","","","","- C20 H20 Au2 B2 F8 N4 -","- C20 H20 Au2 B2 F8 N4 -","- C160 H160 Au16 B16 F64 N32 -","8","0.5","","Corbo, Robert; Ryan, Gemma F.; Haghighatbin, Mohammad A.; Hogan, Conor F.; Wilson, David J. D.; Hulett, Mark D.; Barnard, Peter J.; Dutton, Jason L.","Access to the Parent Tetrakis(pyridine)gold(III) Trication, Facile Formation of Rare Au(III) Terminal Hydroxides, and Preliminary Studies of Biological Properties.","Inorganic chemistry","2016","55","6","2830","2839","10.1021/acs.inorgchem.5b02667","","","0.71073","MoKα","","0.041","0.0355","","","0.0991","0.1022","","","","","","1.224","","","","has coordinates","232142","2020-10-21","18:00:00",""
"4347049","14.34","0.003","12.963","0.003","19.695","0.004","90","","90","","90","","3661.1","1.4","173","2","173","2","","","","","","","","7","P n m a","-P 2ac 2n","62","","","","- C26 H28 Au F6 N6 O6 S2 -","- C26 H28 Au F6 N6 O6 S2 -","- C104 H112 Au4 F24 N24 O24 S8 -","4","0.5","","Corbo, Robert; Ryan, Gemma F.; Haghighatbin, Mohammad A.; Hogan, Conor F.; Wilson, David J. D.; Hulett, Mark D.; Barnard, Peter J.; Dutton, Jason L.","Access to the Parent Tetrakis(pyridine)gold(III) Trication, Facile Formation of Rare Au(III) Terminal Hydroxides, and Preliminary Studies of Biological Properties.","Inorganic chemistry","2016","55","6","2830","2839","10.1021/acs.inorgchem.5b02667","","","0.71073","MoKα","","0.0386","0.0337","","","0.0897","0.0921","","","","","","1.117","","","","has coordinates","232142","2020-10-21","18:00:00",""
"4347050","15.9592","0.0007","13.0177","0.0003","19.3394","0.0007","90","","110.422","0.005","90","","3765.3","0.3","173","2","173","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C29 H28 Au F9 N6 O9 S3 -","- C29 H28 Au F9 N6 O9 S3 -","- C116 H112 Au4 F36 N24 O36 S12 -","4","1","","Corbo, Robert; Ryan, Gemma F.; Haghighatbin, Mohammad A.; Hogan, Conor F.; Wilson, David J. D.; Hulett, Mark D.; Barnard, Peter J.; Dutton, Jason L.","Access to the Parent Tetrakis(pyridine)gold(III) Trication, Facile Formation of Rare Au(III) Terminal Hydroxides, and Preliminary Studies of Biological Properties.","Inorganic chemistry","2016","55","6","2830","2839","10.1021/acs.inorgchem.5b02667","","","0.71073","MoKα","","0.0569","0.0442","","","0.109","0.1196","","","","","","1.082","","","","has coordinates","232142","2020-10-21","18:00:00",""
"4347051","7.914","0.0003","13.2122","0.0006","14.4964","0.0007","77.005","0.004","74.267","0.004","72.687","0.004","1375.63","0.11","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C20 H20.5 Au F6 N4.5 O7 S2 -","- C20 H20.5 Au F6 N4.5 O7 S2 -","- C40 H41 Au2 F12 N9 O14 S4 -","2","1","","Corbo, Robert; Ryan, Gemma F.; Haghighatbin, Mohammad A.; Hogan, Conor F.; Wilson, David J. D.; Hulett, Mark D.; Barnard, Peter J.; Dutton, Jason L.","Access to the Parent Tetrakis(pyridine)gold(III) Trication, Facile Formation of Rare Au(III) Terminal Hydroxides, and Preliminary Studies of Biological Properties.","Inorganic chemistry","2016","55","6","2830","2839","10.1021/acs.inorgchem.5b02667","","","1.54184","CuKα","","0.0603","0.0568","","","0.1467","0.1507","","","","","","1.07","","","","has coordinates","232142","2020-10-21","18:00:00",""
"4347052","7.8309","0.0016","13.386","0.003","14.14","0.003","93.2","0.03","102.05","0.03","99.37","0.03","1424","0.6","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C22 H20.5 Au F6 N4.5 O7 S2 -","- C22 H20.5 Au F6 N4.5 O7 S2 -","- C44 H41 Au2 F12 N9 O14 S4 -","2","1","","Corbo, Robert; Ryan, Gemma F.; Haghighatbin, Mohammad A.; Hogan, Conor F.; Wilson, David J. D.; Hulett, Mark D.; Barnard, Peter J.; Dutton, Jason L.","Access to the Parent Tetrakis(pyridine)gold(III) Trication, Facile Formation of Rare Au(III) Terminal Hydroxides, and Preliminary Studies of Biological Properties.","Inorganic chemistry","2016","55","6","2830","2839","10.1021/acs.inorgchem.5b02667","","","0.71073","MoKα","","0.0407","0.0342","","","0.085","0.0896","","","","","","1.073","","","","has coordinates","232142","2020-10-21","18:00:00",""
"4347053","16.8903","0.0007","16.0202","0.0006","17.4942","0.0006","90","","112.493","0.002","90","","4373.6","0.3","200","2","200","2","","","","","","","synthesized by the authors","6","C 1 2/m 1","-C 2y","12","","The contribution of THF was removed from diffraction pattern due its disorder.","","- C16 H52 B22 N2 P2 Pd -","- C16 H52 B22 N2 P2 Pd -","- C64 H208 B88 N8 P8 Pd4 -","4","0.5","","Šembera, Filip; Plutnar, Jan; Higelin, Alexander; Janoušek, Zbyněk; Císařová, Ivana; Michl, Josef","Metal Complexes with Very Large Dipole Moments: the Anionic Carborane Nitriles 12-NC-CB11X11(-) (X = H, F, CH3) as Ligands on Pt(II) and Pd(II).","Inorganic chemistry","2016","55","8","3797","3806","10.1021/acs.inorgchem.5b02678","","","0.71073","MoKα","","0.044","0.0315","","","0.0669","0.0703","","","","","","0.989","","","","has coordinates","232143","2020-10-21","18:00:00",""
"4347054","9.6873","0.0003","13.0605","0.0003","16.8784","0.0004","90","","122.515","0.001","90","","1800.74","0.08","150","2","150","2","","","","","","","synthesized by the authors","6","P 1 21/c 1","-P 2ybc","14","","","","- C16 H52 B22 N2 P2 Pt -","- C16 H52 B22 N2 P2 Pt -","- C32 H104 B44 N4 P4 Pt2 -","2","0.5","","Šembera, Filip; Plutnar, Jan; Higelin, Alexander; Janoušek, Zbyněk; Císařová, Ivana; Michl, Josef","Metal Complexes with Very Large Dipole Moments: the Anionic Carborane Nitriles 12-NC-CB11X11(-) (X = H, F, CH3) as Ligands on Pt(II) and Pd(II).","Inorganic chemistry","2016","55","8","3797","3806","10.1021/acs.inorgchem.5b02678","","","0.71073","MoKα","","0.0338","0.0195","","","0.0347","0.0381","","","","","","1.015","","","","has coordinates","232144","2020-10-21","18:00:00",""
"4347055","17.7138","0.0007","10.0954","0.0004","10.2647","0.0004","90","","121.089","0.002","90","","1571.96","0.11","150","2","150","2","","","","","","","synthesized by the authors","5","C 1 c 1","C -2yc","9","","","","- C6 H21 B11 N2 O2 -","- C6 H21 B11 N2 O2 -","- C24 H84 B44 N8 O8 -","4","1","","Šembera, Filip; Plutnar, Jan; Higelin, Alexander; Janoušek, Zbyněk; Císařová, Ivana; Michl, Josef","Metal Complexes with Very Large Dipole Moments: the Anionic Carborane Nitriles 12-NC-CB11X11(-) (X = H, F, CH3) as Ligands on Pt(II) and Pd(II).","Inorganic chemistry","2016","55","8","3797","3806","10.1021/acs.inorgchem.5b02678","","","0.71073","MoKα","","0.0397","0.0365","","","0.0936","0.0959","","","","","","1.055","","","","has coordinates","232145","2020-10-21","18:00:00",""
"4347056","19.7236","0.0004","20.1521","0.0003","21.4602","0.0003","90","","117.293","0.001","90","","7580.2","0.2","150","2","150","2","","","","","","","synthesized by the authors","6","P 1 21/c 1","-P 2ybc","14","","","","- C16 H52 B22 N2 P2 Pt -","- C16 H52 B22 N2 P2 Pt -","- C128 H416 B176 N16 P16 Pt8 -","8","2","","Šembera, Filip; Plutnar, Jan; Higelin, Alexander; Janoušek, Zbyněk; Císařová, Ivana; Michl, Josef","Metal Complexes with Very Large Dipole Moments: the Anionic Carborane Nitriles 12-NC-CB11X11(-) (X = H, F, CH3) as Ligands on Pt(II) and Pd(II).","Inorganic chemistry","2016","55","8","3797","3806","10.1021/acs.inorgchem.5b02678","","","0.71073","MoKα","","0.0477","0.0321","","","0.0628","0.0669","","","","","","1.035","","","","has coordinates","251896","2020-10-21","18:00:00",""
"4347057","16.5202","0.0003","16.1578","0.0003","17.9755","0.0004","90","","112.763","0.001","90","","4424.49","0.15","200","2","200","2","","","","","","","synthesized by the authors","6","C 1 2/m 1","-C 2y","12","","The contribution of THF was removed from diffraction pattern due its disorder.","","- C18 H54 B22 N2 P2 Pt -","- C18 H54 B22 N2 P2 Pt -","- C72 H216 B88 N8 P8 Pt4 -","4","0.5","","Šembera, Filip; Plutnar, Jan; Higelin, Alexander; Janoušek, Zbyněk; Císařová, Ivana; Michl, Josef","Metal Complexes with Very Large Dipole Moments: the Anionic Carborane Nitriles 12-NC-CB11X11(-) (X = H, F, CH3) as Ligands on Pt(II) and Pd(II).","Inorganic chemistry","2016","55","8","3797","3806","10.1021/acs.inorgchem.5b02678","","","0.71073","MoKα","","0.0193","0.0171","","","0.0424","0.043","","","","","","1.059","","","","has coordinates","232147","2020-10-21","18:00:00",""
"4347058","12.5389","0.0001","12.5389","0.0001","27.2742","0.0004","90","","90","","90","","4288.16","0.08","150","2","150","2","","","","","","","synthesized by the authors","5","P 41 21 2","P 4abw 2nw","92","","","","- C24 H62 B22 Cs2 N2 -","- C24 H62 B22 Cs2 N2 -","- C96 H248 B88 Cs8 N8 -","4","0.5","","Šembera, Filip; Plutnar, Jan; Higelin, Alexander; Janoušek, Zbyněk; Císařová, Ivana; Michl, Josef","Metal Complexes with Very Large Dipole Moments: the Anionic Carborane Nitriles 12-NC-CB11X11(-) (X = H, F, CH3) as Ligands on Pt(II) and Pd(II).","Inorganic chemistry","2016","55","8","3797","3806","10.1021/acs.inorgchem.5b02678","","","0.71073","MoKα","","0.0386","0.0348","","","0.0839","0.0855","","","","","","1.114","","","","has coordinates,has disorder","232148","2020-10-21","18:00:00",""
"4347059","15.8752","0.0004","15.3345","0.0003","26.8303","0.0006","90","","92.109","0.001","90","","6527.1","0.3","150","2","150","2","","","","","","","synthesized by the authors","7","C 1 2/c 1","-C 2yc","15","","","","- C40 H92 B22 N2 O2 P2 Pt -","- C40 H92 B22 N2 O2 P2 Pt -","- C160 H368 B88 N8 O8 P8 Pt4 -","4","0.5","","Šembera, Filip; Plutnar, Jan; Higelin, Alexander; Janoušek, Zbyněk; Císařová, Ivana; Michl, Josef","Metal Complexes with Very Large Dipole Moments: the Anionic Carborane Nitriles 12-NC-CB11X11(-) (X = H, F, CH3) as Ligands on Pt(II) and Pd(II).","Inorganic chemistry","2016","55","8","3797","3806","10.1021/acs.inorgchem.5b02678","","","0.71073","MoKα","","0.0325","0.0299","","","0.0866","0.0886","","","","","","1.105","","","","has coordinates","232149","2020-10-21","18:00:00",""
"4347060","45.775","0.007","7.3071","0.0006","27.47","0.003","90","","126.02","0.02","90","","7432","2","110.02","0.16","110.02","0.16","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C52 H36 N2 S -","- C52 H36 N2 S -","- C416 H288 N16 S8 -","8","1","","Białek, Michał J; Latos-Grażyński, Lechosław","Palladium(II), Ruthenium(II), and Ruthenium(III) Complexes of 23-Thiaazuliporphyrin: The Case of Coordination-Induced Contraction.","Inorganic chemistry","2016","55","4","1758","1769","10.1021/acs.inorgchem.5b02684","","","0.71073","MoKα","","0.1575","0.0812","","","0.1207","0.1468","","","","","","1.062","","","","has coordinates","232150","2020-10-21","18:00:00",""
"4347061","13.086","0.003","28.335","0.006","16.858","0.004","90","","102.23","0.03","90","","6109","2","79.9","0.4","79.9","0.4","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C52 H35 Cl3 N2 O0.9 Pd2 S -","- C52 H35 Cl3 N2 O0.898 Pd2 S -","- C208 H140 Cl12 N8 O3.592 Pd8 S4 -","4","1","","Białek, Michał J; Latos-Grażyński, Lechosław","Palladium(II), Ruthenium(II), and Ruthenium(III) Complexes of 23-Thiaazuliporphyrin: The Case of Coordination-Induced Contraction.","Inorganic chemistry","2016","55","4","1758","1769","10.1021/acs.inorgchem.5b02684","","","0.71073","MoKα","","0.1356","0.0868","","","0.2121","0.2408","","","","","","0.943","","","","has coordinates,has disorder","232150","2020-10-21","18:00:00",""
"4347062","10.995","0.002","20.962","0.004","23.41","0.008","90","","99.31","0.02","90","","5324","2","100.1","0.4","100.1","0.4","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C57 H43 Cl9 N2 O Ru S -","- C57 H43 Cl9 N2 O Ru S -","- C228 H172 Cl36 N8 O4 Ru4 S4 -","4","1","","Białek, Michał J; Latos-Grażyński, Lechosław","Palladium(II), Ruthenium(II), and Ruthenium(III) Complexes of 23-Thiaazuliporphyrin: The Case of Coordination-Induced Contraction.","Inorganic chemistry","2016","55","4","1758","1769","10.1021/acs.inorgchem.5b02684","","","0.7107","MoKα","","0.0528","0.039","","","0.0848","0.0918","","","","","","1.018","","","","has coordinates,has disorder","232150","2020-10-21","18:00:00",""
"4347063","10.635","0.003","14.695","0.004","15.144","0.005","62.24","0.03","81.23","0.03","89.46","0.04","2064.7","1.2","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C54.95 H40.68 Cl1.03 N2 O Pd S -","- C54.934 H40.675 Cl1.026 N2 O Pd S -","- C109.868 H81.35 Cl2.052 N4 O2 Pd2 S2 -","2","1","","Białek, Michał J; Latos-Grażyński, Lechosław","Palladium(II), Ruthenium(II), and Ruthenium(III) Complexes of 23-Thiaazuliporphyrin: The Case of Coordination-Induced Contraction.","Inorganic chemistry","2016","55","4","1758","1769","10.1021/acs.inorgchem.5b02684","","","0.71073","MoKα","","0.0696","0.0498","","","0.1039","0.114","","","","","","1.051","","","","has coordinates,has disorder","232150","2020-10-21","18:00:00",""
"4347064","10.499","0.003","12.514","0.003","16.704","0.004","104.131","0.004","94.362","0.004","113.734","0.004","1910.3","0.9","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C42 H52 N2 Ni O2 S2 -","- C42 H52 N2 Ni O2 S2 -","- C84 H104 N4 Ni2 O4 S4 -","2","1","","Ali, Akram; Dhar, Debanjan; Barman, Suman K.; Lloret, Francesc; Mukherjee, Rabindranath","Nickel(II) Complex of a Hexadentate Ligand with Two o-Iminosemiquinonato(1-) π-Radical Units and Its Monocation and Dication.","Inorganic chemistry","2016","55","12","5759","5771","10.1021/acs.inorgchem.5b02688","","","0.71073","MoKα","","0.0893","0.0634","","","0.1551","0.1785","","","","","","1.051","","","","has coordinates","232151","2020-10-21","18:00:00",""
"4347065","17.654","0.003","16.153","0.003","16.068","0.003","90","","91.213","0.003","90","","4581","1.4","100","2","100","2","","","","","","","","9","P 1 21/c 1","-P 2ybc","14","","","","- C43 H54 Cl2 F6 N2 Ni O2 P S2 -","- C43 H54 Cl2 F6 N2 Ni O2 P S2 -","- C172 H216 Cl8 F24 N8 Ni4 O8 P4 S8 -","4","1","","Ali, Akram; Dhar, Debanjan; Barman, Suman K.; Lloret, Francesc; Mukherjee, Rabindranath","Nickel(II) Complex of a Hexadentate Ligand with Two o-Iminosemiquinonato(1-) π-Radical Units and Its Monocation and Dication.","Inorganic chemistry","2016","55","12","5759","5771","10.1021/acs.inorgchem.5b02688","","","0.71073","MoKα","","0.0854","0.0612","","","0.1531","0.1736","","","","","","1.044","","","","has coordinates","232151","2020-10-21","18:00:00",""
"4347066","10.507","0.005","21.494","0.005","20.472","0.005","90","0.005","91.868","0.005","90","0.005","4621","3","100","2","100","2","","","","","","","","9","P 1 21/n 1","-P 2yn","14","","","","- C43 H54 B2 Cl2 F8 N2 Ni O2 S2 -","- C43 H54 B2 Cl2 F8 N2 Ni O2 S2 -","- C172 H216 B8 Cl8 F32 N8 Ni4 O8 S8 -","4","1","","Ali, Akram; Dhar, Debanjan; Barman, Suman K.; Lloret, Francesc; Mukherjee, Rabindranath","Nickel(II) Complex of a Hexadentate Ligand with Two o-Iminosemiquinonato(1-) π-Radical Units and Its Monocation and Dication.","Inorganic chemistry","2016","55","12","5759","5771","10.1021/acs.inorgchem.5b02688","","","0.71073","MoKα","","0.1","0.064","","","0.1652","0.194","","","","","","1.06","","","","has coordinates","232151","2020-10-21","18:00:00",""
"4347067","7.7313","0.0004","19.2204","0.0019","15.4838","0.0014","90","","92.174","0.006","90","","2299.2","0.3","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C26 H21 Cl2 N3 O2 -","- C26 H21 Cl2 N3 O2 -","- C104 H84 Cl8 N12 O8 -","4","1","","Păunescu, Emilia; McArthur, Sarah; Soudani, Mylène; Scopelliti, Rosario; Dyson, Paul J.","Nonsteroidal Anti-inflammatory-Organometallic Anticancer Compounds.","Inorganic chemistry","2016","55","4","1788","1808","10.1021/acs.inorgchem.5b02690","","","0.71073","MoKα","","0.0533","0.0366","","","0.0809","0.0914","","","","","","1.107","","","","has coordinates","232152","2020-10-21","18:00:00",""
"4347068","26.219","0.009","13.193","0.007","20.409","0.008","90","","112.12","0.03","90","","6540","5","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C60 H55 Cl7 N4 O9 Os -","- C60 H53 Cl7 N4 O9 Os -","- C240 H212 Cl28 N16 O36 Os4 -","4","1","","Păunescu, Emilia; McArthur, Sarah; Soudani, Mylène; Scopelliti, Rosario; Dyson, Paul J.","Nonsteroidal Anti-inflammatory-Organometallic Anticancer Compounds.","Inorganic chemistry","2016","55","4","1788","1808","10.1021/acs.inorgchem.5b02690","","","0.71073","MoKα","","0.1481","0.0913","","","0.2037","0.24","","","","","","1.111","","","","has coordinates","232153","2020-10-21","18:00:00",""
"4347069","11.1554","0.0011","11.5216","0.0012","12.7533","0.0011","94.419","0.009","90.632","0.008","110.452","0.007","1530","0.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C35 H28 Cl2 N O4 P -","- C35 H28 Cl2 N O4 P -","- C70 H56 Cl4 N2 O8 P2 -","2","1","","Păunescu, Emilia; McArthur, Sarah; Soudani, Mylène; Scopelliti, Rosario; Dyson, Paul J.","Nonsteroidal Anti-inflammatory-Organometallic Anticancer Compounds.","Inorganic chemistry","2016","55","4","1788","1808","10.1021/acs.inorgchem.5b02690","","","0.71073","MoKα","","0.0455","0.0334","","","0.0825","0.0918","","","","","","1.109","","","","has coordinates","232154","2020-10-21","18:00:00",""
"4347070","22.264","0.002","4.6639","0.0004","23.386","0.002","90","","93.066","0.007","90","","2424.9","0.4","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C44 H34 Cl4 N4 O8 -","- C44 H34 Cl4 N4 O8 -","- C88 H68 Cl8 N8 O16 -","2","0.5","","Păunescu, Emilia; McArthur, Sarah; Soudani, Mylène; Scopelliti, Rosario; Dyson, Paul J.","Nonsteroidal Anti-inflammatory-Organometallic Anticancer Compounds.","Inorganic chemistry","2016","55","4","1788","1808","10.1021/acs.inorgchem.5b02690","","","0.71073","MoKα","","0.116","0.0649","","","0.1294","0.1565","","","","","","1.048","","","","has coordinates","232155","2020-10-21","18:00:00",""
"4347071","13.062","0.003","15.725","0.004","20.565","0.005","90","","106.358","0.004","90","","4053.1","1.7","123","2","123","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C42 H36 Cl2 F3 Ir N4 O3 S -","- C42 H36 Cl2 F3 Ir N4 O3 S -","- C168 H144 Cl8 F12 Ir4 N16 O12 S4 -","4","1","","Maity, Ayan; Le, Linh Q.; Zhu, Zhuan; Bao, Jiming; Teets, Thomas S.","Steric and Electronic Influence of Aryl Isocyanides on the Properties of Iridium(III) Cyclometalates.","Inorganic chemistry","2016","55","5","2299","2308","10.1021/acs.inorgchem.5b02691","","","0.71073","MoKα","","0.0396","0.0312","","","0.0773","0.0817","","","","","","1.042","","","","has coordinates,has disorder","232156","2020-10-21","18:00:00",""
"4347072","9.4166","0.0013","10.9988","0.0015","21.153","0.003","98.7754","0.0017","101.979","0.0017","103.734","0.0018","2034.3","0.5","123","2","123","2","","","","","","","","7","P -1","-P 1","2","","","","- C41 H31 Cl3 F10 Ir N4 P -","- C41 H31 Cl3 F10 Ir N4 P -","- C82 H62 Cl6 F20 Ir2 N8 P2 -","2","1","","Maity, Ayan; Le, Linh Q.; Zhu, Zhuan; Bao, Jiming; Teets, Thomas S.","Steric and Electronic Influence of Aryl Isocyanides on the Properties of Iridium(III) Cyclometalates.","Inorganic chemistry","2016","55","5","2299","2308","10.1021/acs.inorgchem.5b02691","","","0.71073","MoKα","","0.0271","0.0259","","","0.0652","0.0658","","","","","","1.108","","","","has coordinates","232156","2020-10-21","18:00:00",""
"4347073","13.131","0.002","18.91","0.003","12.882","0.002","90","","117.88","0.002","90","","2827.4","0.8","123","2","123","2","","","","","","","","8","P 1 c 1","P -2yc","7","","","","- C54 H52 Cl6 F6 Ir N4 P S2 -","- C54 H52 Cl6 F6 Ir N4 P S2 -","- C108 H104 Cl12 F12 Ir2 N8 P2 S4 -","2","1","","Maity, Ayan; Le, Linh Q.; Zhu, Zhuan; Bao, Jiming; Teets, Thomas S.","Steric and Electronic Influence of Aryl Isocyanides on the Properties of Iridium(III) Cyclometalates.","Inorganic chemistry","2016","55","5","2299","2308","10.1021/acs.inorgchem.5b02691","","","0.71073","MoKα","","0.0451","0.0344","","","0.0648","0.068","","","","","","0.914","","","","has coordinates","232156","2020-10-21","18:00:00",""
"4347074","16.006","0.002","12.8079","0.0017","27.606","0.004","90","","92.3505","0.0017","90","","5654.6","1.3","123","2","123","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C51 H33 Cl9 F6 Ir N4 P S2 -","- C51 H33 Cl9 F6 Ir N4 P S2 -","- C204 H132 Cl36 F24 Ir4 N16 P4 S8 -","4","1","","Maity, Ayan; Le, Linh Q.; Zhu, Zhuan; Bao, Jiming; Teets, Thomas S.","Steric and Electronic Influence of Aryl Isocyanides on the Properties of Iridium(III) Cyclometalates.","Inorganic chemistry","2016","55","5","2299","2308","10.1021/acs.inorgchem.5b02691","","","0.71073","MoKα","","0.0639","0.0522","","","0.1416","0.1501","","","","","","1.057","","","","has coordinates,has disorder","232156","2020-10-21","18:00:00",""
"4347075","16.325","0.005","16.325","0.005","26.077","0.009","90","","90","","120","","6019","3","123","2","123","2","","","","","","","","7","P 32 2 1","P 32 2""","154","","","","- C44 H34 F6 Ir N4 P S2 -","- C44 H34 F6 Ir N4 P S2 -","- C264 H204 F36 Ir6 N24 P6 S12 -","6","1","","Maity, Ayan; Le, Linh Q.; Zhu, Zhuan; Bao, Jiming; Teets, Thomas S.","Steric and Electronic Influence of Aryl Isocyanides on the Properties of Iridium(III) Cyclometalates.","Inorganic chemistry","2016","55","5","2299","2308","10.1021/acs.inorgchem.5b02691","","","0.71073","MoKα","","0.0205","0.0189","","","0.043","0.0441","","","","","","1.082","","","","has coordinates","232156","2020-10-21","18:00:00",""
"4347076","14.8451","0.0002","14.8451","0.0002","12.2127","0.0003","90","","90","","90","","2691.4","0.08","293","2","293","2","","","","","","","","5","P 42","P 4c","77","","","","- C16 H32 Cu14 I12 N21 -","- C16 H32 Cu14 I12 N21 -","- C32 H64 Cu28 I24 N42 -","2","0.5","","Liu, Juan; Wang, Fei; Liu, Li-Yang; Zhang, Jian","Interpenetrated Three-Dimensional Copper-Iodine Cluster-Based Framework with Enantiopure Porphyrin-like Templates.","Inorganic chemistry","2016","55","4","1358","1360","10.1021/acs.inorgchem.5b02692","","","0.71073","MoKα","","0.054","0.0434","","","0.1079","0.1151","","","","","","1.055","","","","has coordinates","232157","2020-10-21","18:00:00",""
"4347077","10.8177","0.0003","19.8483","0.0006","25.8687","0.0005","101.117","0.002","101.108","0.0018","94.827","0.002","5305.4","0.2","294.49","0.1","294.49","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C103 H75 Ba5 O26 -","- C104 H77 Ba5 O25 -","- C208 H154 Ba10 O50 -","2","1","","Wang, Rongming; Liu, Xiaobin; Huang, Ao; Wang, Wen; Xiao, Zhenyu; Zhang, Liangliang; Dai, Fangna; Sun, Daofeng","Unprecedented Solvent-Dependent Sensitivities in Highly Efficient Detection of Metal Ions and Nitroaromatic Compounds by a Fluorescent Barium Metal-Organic Framework.","Inorganic chemistry","2016","55","4","1782","1787","10.1021/acs.inorgchem.5b02693","","","1.54184","CuKα","","0.1432","0.1353","","","0.3473","0.3503","","","","","","1.165","","","","has coordinates","232158","2020-10-21","18:00:00",""
"4347078","11.376","0.0002","15.3329","0.0003","22.065","0.0004","101.801","0.0016","93.5362","0.0015","98.4346","0.0015","3709.89","0.12","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C46 H44 B Ir N2 S -","- C46 H43 B Ir N2 S -","- C184 H172 B4 Ir4 N8 S4 -","4","2","","Štarha, Pavel; Habtemariam, Abraha; Romero-Canelón, Isolda; Clarkson, Guy J.; Sadler, Peter J.","Hydrosulfide Adducts of Organo-Iridium Anticancer Complexes.","Inorganic chemistry","2016","55","5","2324","2331","10.1021/acs.inorgchem.5b02697","","x-ray","0.71073","MoKα","","0.167","0.0719","","","0.1457","0.181","","","","","","1.01","","","","has coordinates,has disorder","232159","2020-10-21","18:00:00",""
"4347079","7.6088","0.0004","26.9134","0.0013","11.6877","0.0006","90","","103.308","0.002","90","","2329.1","0.2","120","2","120","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C24 H22 B F4 N3 O Pt -","- C24 H22 B F4 N3 O Pt -","- C96 H88 B4 F16 N12 O4 Pt4 -","4","1","","Sivchik, Vasily V.; Grachova, Elena V.; Melnikov, Alexei S.; Smirnov, Sergey N.; Ivanov, Alexander Yu; Hirva, Pipsa; Tunik, Sergey P.; Koshevoy, Igor O.","Solid-State and Solution Metallophilic Aggregation of a Cationic [Pt(NCN)L](+) Cyclometalated Complex.","Inorganic chemistry","2016","55","7","3351","3363","10.1021/acs.inorgchem.5b02713","","","0.71073","MoKα","","0.0394","0.0316","","","0.0567","0.0589","","","","","","1.076","","","","has coordinates,has disorder","232160","2020-10-21","18:00:00",""
"4347080","12.9845","0.0006","21.5813","0.001","6.6105","0.0003","90","","102.186","0.002","90","","1810.67","0.14","120","2","120","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C74 H59 Cl4 N13 O16 Pt4 -","- C74 H59 Cl4 N13 O16 Pt4 -","- C74 H59 Cl4 N13 O16 Pt4 -","1","0.25","","Sivchik, Vasily V.; Grachova, Elena V.; Melnikov, Alexei S.; Smirnov, Sergey N.; Ivanov, Alexander Yu; Hirva, Pipsa; Tunik, Sergey P.; Koshevoy, Igor O.","Solid-State and Solution Metallophilic Aggregation of a Cationic [Pt(NCN)L](+) Cyclometalated Complex.","Inorganic chemistry","2016","55","7","3351","3363","10.1021/acs.inorgchem.5b02713","","","0.71073","MoKα","","0.0251","0.0185","","","0.0356","0.0371","","","","","","1.032","","","","has coordinates","232160","2020-10-21","18:00:00",""
"4347081","13.003","0.01","21.611","0.016","6.702","0.005","90","","102.685","0.016","90","","1837","2","270","2","270","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C74 H59 Cl4 N13 O16 Pt4 -","- C74 H59 Cl4 N13 O16 Pt4 -","- C74 H59 Cl4 N13 O16 Pt4 -","1","0.25","","Sivchik, Vasily V.; Grachova, Elena V.; Melnikov, Alexei S.; Smirnov, Sergey N.; Ivanov, Alexander Yu; Hirva, Pipsa; Tunik, Sergey P.; Koshevoy, Igor O.","Solid-State and Solution Metallophilic Aggregation of a Cationic [Pt(NCN)L](+) Cyclometalated Complex.","Inorganic chemistry","2016","55","7","3351","3363","10.1021/acs.inorgchem.5b02713","","","0.71073","MoKα","","0.0801","0.0405","","","0.083","0.0956","","","","","","1.013","","","","has coordinates","232160","2020-10-21","18:00:00",""
"4347082","6.6747","0.001","22.424","0.004","25.647","0.004","90","","94.774","0.005","90","","3825.4","1.1","120","2","120","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C74 H59 F24 N13 P4 Pt4 -","- C74 H59 F24 N13 P4 Pt4 -","- C148 H118 F48 N26 P8 Pt8 -","2","0.5","","Sivchik, Vasily V.; Grachova, Elena V.; Melnikov, Alexei S.; Smirnov, Sergey N.; Ivanov, Alexander Yu; Hirva, Pipsa; Tunik, Sergey P.; Koshevoy, Igor O.","Solid-State and Solution Metallophilic Aggregation of a Cationic [Pt(NCN)L](+) Cyclometalated Complex.","Inorganic chemistry","2016","55","7","3351","3363","10.1021/acs.inorgchem.5b02713","","","0.71073","MoKα","","0.0595","0.0364","","","0.0815","0.0896","","","","","","1.034","","","","has coordinates","232160","2020-10-21","18:00:00",""
"4347083","6.6983","0.0002","22.4378","0.0006","25.6991","0.0006","90","","94.465","0.002","90","","3850.73","0.18","160","2","160","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C74 H59 F24 N13 P4 Pt4 -","- C74 H59 F24 N13 P4 Pt4 -","- C148 H118 F48 N26 P8 Pt8 -","2","0.5","","Sivchik, Vasily V.; Grachova, Elena V.; Melnikov, Alexei S.; Smirnov, Sergey N.; Ivanov, Alexander Yu; Hirva, Pipsa; Tunik, Sergey P.; Koshevoy, Igor O.","Solid-State and Solution Metallophilic Aggregation of a Cationic [Pt(NCN)L](+) Cyclometalated Complex.","Inorganic chemistry","2016","55","7","3351","3363","10.1021/acs.inorgchem.5b02713","","","0.71073","MoKα","","0.0621","0.0307","","","0.0458","0.0511","","","","","","0.96","","","","has coordinates","232160","2020-10-21","18:00:00",""
"4347084","6.7128","0.0006","22.339","0.002","25.698","0.003","90","","93.827","0.004","90","","3845","0.7","200","2","200","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C74 H59 F24 N13 P4 Pt4 -","- C74 H59 F24 N13 P4 Pt4 -","- C148 H118 F48 N26 P8 Pt8 -","2","0.5","","Sivchik, Vasily V.; Grachova, Elena V.; Melnikov, Alexei S.; Smirnov, Sergey N.; Ivanov, Alexander Yu; Hirva, Pipsa; Tunik, Sergey P.; Koshevoy, Igor O.","Solid-State and Solution Metallophilic Aggregation of a Cationic [Pt(NCN)L](+) Cyclometalated Complex.","Inorganic chemistry","2016","55","7","3351","3363","10.1021/acs.inorgchem.5b02713","","","0.71073","MoKα","","0.0388","0.0257","","","0.0512","0.0556","","","","","","1.025","","","","has coordinates","232160","2020-10-21","18:00:00",""
"4347085","6.7962","0.0003","22.2689","0.001","25.8421","0.0012","90","","91.256","0.002","90","","3910.1","0.3","250","2","250","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C74 H59 F24 N13 P4 Pt4 -","- C74 H59 F24 N13 P4 Pt4 -","- C148 H118 F48 N26 P8 Pt8 -","2","0.5","","Sivchik, Vasily V.; Grachova, Elena V.; Melnikov, Alexei S.; Smirnov, Sergey N.; Ivanov, Alexander Yu; Hirva, Pipsa; Tunik, Sergey P.; Koshevoy, Igor O.","Solid-State and Solution Metallophilic Aggregation of a Cationic [Pt(NCN)L](+) Cyclometalated Complex.","Inorganic chemistry","2016","55","7","3351","3363","10.1021/acs.inorgchem.5b02713","","","0.71073","MoKα","","0.0854","0.0577","","","0.0924","0.0992","","","","","","1.171","","","","has coordinates","232160","2020-10-21","18:00:00",""
"4347086","6.8452","0.0011","22.312","0.003","25.991","0.004","90","","91.037","0.005","90","","3969","1","280","2","280","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C18 H14 F6 N3 P Pt -","- C18 H14 F6 N3 P Pt -","- C144 H112 F48 N24 P8 Pt8 -","8","2","","Sivchik, Vasily V.; Grachova, Elena V.; Melnikov, Alexei S.; Smirnov, Sergey N.; Ivanov, Alexander Yu; Hirva, Pipsa; Tunik, Sergey P.; Koshevoy, Igor O.","Solid-State and Solution Metallophilic Aggregation of a Cationic [Pt(NCN)L](+) Cyclometalated Complex.","Inorganic chemistry","2016","55","7","3351","3363","10.1021/acs.inorgchem.5b02713","","","0.71073","MoKα","","0.114","0.0686","","","0.1277","0.1417","","","","","","1.107","","","","has coordinates","232160","2020-10-21","18:00:00",""
"4347087","31.635","0.005","15.744","0.002","19.281","0.004","90","","122.309","0.012","90","","8116","3","120","2","120","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C40 H31 F6 N7 O6 Pt2 S2 -","- C40 H31 F6 N7 O6 Pt2 S2 -","- C320 H248 F48 N56 O48 Pt16 S16 -","8","1","","Sivchik, Vasily V.; Grachova, Elena V.; Melnikov, Alexei S.; Smirnov, Sergey N.; Ivanov, Alexander Yu; Hirva, Pipsa; Tunik, Sergey P.; Koshevoy, Igor O.","Solid-State and Solution Metallophilic Aggregation of a Cationic [Pt(NCN)L](+) Cyclometalated Complex.","Inorganic chemistry","2016","55","7","3351","3363","10.1021/acs.inorgchem.5b02713","","","0.71073","MoKα","","0.0609","0.0281","","","0.0556","0.0662","","","","","","0.998","","","","has coordinates","232160","2020-10-21","18:00:00",""
"4347088","31.767","0.003","15.8507","0.0013","19.337","0.0016","90","","122.124","0.004","90","","8246","1.3","200","2","200","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C20 H15.5 F3 N3.5 O3 Pt S -","- C20 H15.5 F3 N3.5 O3 Pt S -","- C320 H248 F48 N56 O48 Pt16 S16 -","16","2","","Sivchik, Vasily V.; Grachova, Elena V.; Melnikov, Alexei S.; Smirnov, Sergey N.; Ivanov, Alexander Yu; Hirva, Pipsa; Tunik, Sergey P.; Koshevoy, Igor O.","Solid-State and Solution Metallophilic Aggregation of a Cationic [Pt(NCN)L](+) Cyclometalated Complex.","Inorganic chemistry","2016","55","7","3351","3363","10.1021/acs.inorgchem.5b02713","","","0.71073","MoKα","","0.0352","0.0224","","","0.0506","0.0579","","","","","","1.045","","","","has coordinates","251896","2020-10-21","18:00:00",""
"4347089","10.8637","0.0005","6.3883","0.0003","16.963","0.0009","90","","105.757","0.006","90","","1133","0.1","294","2","294","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H20 Co3 O14 -","- C22 H20 Co3 O14 -","- C44 H40 Co6 O28 -","2","0.5","","Chen, Min; Zhao, Hui; Sañudo, E Carolina; Liu, Chun-Sen; Du, Miao","Two Isostructural Coordination Polymers Showing Diverse Magnetic Behaviors: Weak Coupling (Ni(II)) and an Ordered Array of Single-Chain Magnets (Co(II)).","Inorganic chemistry","2016","55","8","3715","3717","10.1021/acs.inorgchem.5b02716","","","0.71073","MoKα","","0.0697","0.041","","","0.0827","0.0963","","","","","","0.999","","","","has coordinates","232161","2020-10-21","18:00:00",""
"4347090","10.8352","0.001","6.3246","0.0007","16.8834","0.0017","90","","105.667","0.011","90","","1114","0.2","294","2","294","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H20 Ni3 O14 -","- C22 H20 Ni3 O14 -","- C44 H40 Ni6 O28 -","2","0.5","","Chen, Min; Zhao, Hui; Sañudo, E Carolina; Liu, Chun-Sen; Du, Miao","Two Isostructural Coordination Polymers Showing Diverse Magnetic Behaviors: Weak Coupling (Ni(II)) and an Ordered Array of Single-Chain Magnets (Co(II)).","Inorganic chemistry","2016","55","8","3715","3717","10.1021/acs.inorgchem.5b02716","","","0.71073","MoKα","","0.1001","0.0578","","","0.1554","0.1848","","","","","","1.007","","","","has coordinates","232161","2020-10-21","18:00:00",""
"4347091","10.854","0.0003","11.7897","0.0003","13.2814","0.0003","105.184","0.001","102.807","0.001","114.805","0.001","1378.15","0.06","293","","293","","","","","","","","","7","P -1","-P 1","2","","","","- C30 H30 Cu2 Mo12 N6 O42 Si -","- C30 H30 Cu2 Mo12 N6 O42 Si -","- C30 H30 Cu2 Mo12 N6 O42 Si -","1","0.5","","Roy, Soumyabrata; Sarkar, Sumanta; Pan, Jaysree; Waghmare, Umesh V.; Dhanya, R.; Narayana, Chandrabhas; Peter, Sebastian C.","Crystal Structure and Band Gap Engineering in Polyoxometalate-Based Inorganic-Organic Hybrids.","Inorganic chemistry","2016","55","7","3364","3377","10.1021/acs.inorgchem.5b02718","","","0.71073","MoKα","","0.0639","0.0498","","","0.1084","0.1205","","","","","","1.04","","","","has coordinates","232162","2020-10-21","18:00:00",""
"4347092","13.9658","0.0017","14.2231","0.0016","21.732","0.002","85.513","0.008","82.56","0.009","63.28","0.012","3822.4","0.8","293","","293","","","","","","","","","8","P -1","-P 1","2","[(SiMo12O40)][Cu5Cl2(C10H8N2)5].2H2O","","","- C50 H44 Cl2 Cu5 Mo12 N10 O42 Si -","- C50 H44 Cl2 Cu5 Mo12 N10 O42 Si -","- C100 H88 Cl4 Cu10 Mo24 N20 O84 Si2 -","2","1","","Roy, Soumyabrata; Sarkar, Sumanta; Pan, Jaysree; Waghmare, Umesh V.; Dhanya, R.; Narayana, Chandrabhas; Peter, Sebastian C.","Crystal Structure and Band Gap Engineering in Polyoxometalate-Based Inorganic-Organic Hybrids.","Inorganic chemistry","2016","55","7","3364","3377","10.1021/acs.inorgchem.5b02718","","","0.71073","MoKα","","0.1942","0.0969","","","0.1668","0.2082","","","","","","1.052","","","","has coordinates","232163","2020-10-21","18:00:00",""
"4347093","11.5292","0.0004","12.0812","0.0005","17.3184","0.0007","90","","103.319","0.002","90","","2347.34","0.16","295","2","295.15","","","","","","","","","8","P 1 21/n 1","-P 2yn","14","[(H4SiMo12O40)][(C10H8N2)2].2H2O","","","- C20 H24 Cl0 Cu0 Mo12 N4 O42 Si -","- C20 H24 Mo12 N4 O42 Si -","- C40 H48 Mo24 N8 O84 Si2 -","2","0.5","","Roy, Soumyabrata; Sarkar, Sumanta; Pan, Jaysree; Waghmare, Umesh V.; Dhanya, R.; Narayana, Chandrabhas; Peter, Sebastian C.","Crystal Structure and Band Gap Engineering in Polyoxometalate-Based Inorganic-Organic Hybrids.","Inorganic chemistry","2016","55","7","3364","3377","10.1021/acs.inorgchem.5b02718","","","0.71073","MoKα","","0.1021","0.0789","","","0.1575","0.1678","","","","","","1.289","","","","has coordinates","232164","2020-10-21","18:00:00",""
"4347094","10.895","0.0003","13.5706","0.0004","20.6833","0.0006","85.803","0.001","88.489","0.001","78.106","0.001","2984.18","0.15","293","","293","","","","","","","","","7","P -1","-P 1","2","[H3(SiMo12O40)2][Cu5(C10H8N2)7].2H2O","","","- C70 H64 Cu5 Mo24 N14 O82 Si2 -","- C70 H64 Cu5 Mo24 N14 O82 Si2 -","- C70 H64 Cu5 Mo24 N14 O82 Si2 -","1","0.5","","Roy, Soumyabrata; Sarkar, Sumanta; Pan, Jaysree; Waghmare, Umesh V.; Dhanya, R.; Narayana, Chandrabhas; Peter, Sebastian C.","Crystal Structure and Band Gap Engineering in Polyoxometalate-Based Inorganic-Organic Hybrids.","Inorganic chemistry","2016","55","7","3364","3377","10.1021/acs.inorgchem.5b02718","","","0.71073","MoKα","","0.12","0.0674","","","0.1546","0.1871","","","","","","1.037","","","","has coordinates","232165","2020-10-21","18:00:00",""
"4347095","8.4254","0.0008","8.6233","0.0007","11.0279","0.0013","84.012","0.008","69.142","0.01","83.89","0.007","742.56","0.14","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H18 Br N2 O -","- C16 H18 Br N2 O -","- C32 H36 Br2 N4 O2 -","2","1","","Penney, Alexander A.; Sizov, Vladimir V.; Grachova, Elena V.; Krupenya, Dmitry V.; Gurzhiy, Vladislav V.; Starova, Galina L.; Tunik, Sergey P.","Aurophilicity in Action: Fine-Tuning the Gold(I)-Gold(I) Distance in the Excited State To Modulate the Emission in a Series of Dinuclear Homoleptic Gold(I)-NHC Complexes.","Inorganic chemistry","2016","55","10","4720","4732","10.1021/acs.inorgchem.5b02722","","","0.71073","MoKα","","0.0915","0.061","","","0.1032","0.1152","","","","","","1.042","","","","has coordinates","232167","2020-10-21","18:00:00",""
"4347096","13.3949","0.0008","14.9651","0.0006","15.6435","0.0006","70.993","0.004","70.581","0.005","80.539","0.004","2790.7","0.2","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C60.75 H57 Au2 Br2 N8 O1.75 S -","- C60.75 H57 Au2 Br2 N8 O1.75 S -","- C121.5 H114 Au4 Br4 N16 O3.5 S2 -","2","1","","Penney, Alexander A.; Sizov, Vladimir V.; Grachova, Elena V.; Krupenya, Dmitry V.; Gurzhiy, Vladislav V.; Starova, Galina L.; Tunik, Sergey P.","Aurophilicity in Action: Fine-Tuning the Gold(I)-Gold(I) Distance in the Excited State To Modulate the Emission in a Series of Dinuclear Homoleptic Gold(I)-NHC Complexes.","Inorganic chemistry","2016","55","10","4720","4732","10.1021/acs.inorgchem.5b02722","","","0.71073","MoKα","","0.0679","0.0444","","","0.0835","0.0951","","","","","","1.029","","","","has coordinates","232167","2020-10-21","18:00:00",""
"4347097","19.9551","0.0005","20.196","0.0004","27.3545","0.0006","90","","90","","90","","11024.2","0.4","100","2","100","2","","","","","","","","6","A e a 2","A 2 -2ab","41","","","","- C62 H60 Au2 Br2 N8 O2 -","- C62 H52 Au2 Br2 N8 O2 -","- C496 H416 Au16 Br16 N64 O16 -","8","1","","Penney, Alexander A.; Sizov, Vladimir V.; Grachova, Elena V.; Krupenya, Dmitry V.; Gurzhiy, Vladislav V.; Starova, Galina L.; Tunik, Sergey P.","Aurophilicity in Action: Fine-Tuning the Gold(I)-Gold(I) Distance in the Excited State To Modulate the Emission in a Series of Dinuclear Homoleptic Gold(I)-NHC Complexes.","Inorganic chemistry","2016","55","10","4720","4732","10.1021/acs.inorgchem.5b02722","","","1.5418","CuKα","","0.1003","0.0971","","","0.2324","0.2413","","","","","","1.099","","","","has coordinates","232167","2020-10-21","18:00:00",""
"4347098","10.66053","0.00013","16.6542","0.0002","31.6516","0.0004","90","","98.7145","0.0011","90","","5554.63","0.12","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C62 H56 Au2 Br2 N8 -","- C62 H56 Au2 Br2 N8 -","- C248 H224 Au8 Br8 N32 -","4","1","","Penney, Alexander A.; Sizov, Vladimir V.; Grachova, Elena V.; Krupenya, Dmitry V.; Gurzhiy, Vladislav V.; Starova, Galina L.; Tunik, Sergey P.","Aurophilicity in Action: Fine-Tuning the Gold(I)-Gold(I) Distance in the Excited State To Modulate the Emission in a Series of Dinuclear Homoleptic Gold(I)-NHC Complexes.","Inorganic chemistry","2016","55","10","4720","4732","10.1021/acs.inorgchem.5b02722","","","1.54184","CuKα","","0.0336","0.0272","","","0.0646","0.0689","","","","","","1.062","","","","has coordinates,has disorder","232167","2020-10-21","18:00:00",""
"4347099","27.4947","0.0003","11.11324","0.00013","21.4714","0.0002","90","","93.4911","0.0009","90","","6548.52","0.12","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C31 H28 Au Br N4 -","- C31 H28 Au Br N4 -","- C248 H224 Au8 Br8 N32 -","8","1","","Penney, Alexander A.; Sizov, Vladimir V.; Grachova, Elena V.; Krupenya, Dmitry V.; Gurzhiy, Vladislav V.; Starova, Galina L.; Tunik, Sergey P.","Aurophilicity in Action: Fine-Tuning the Gold(I)-Gold(I) Distance in the Excited State To Modulate the Emission in a Series of Dinuclear Homoleptic Gold(I)-NHC Complexes.","Inorganic chemistry","2016","55","10","4720","4732","10.1021/acs.inorgchem.5b02722","","","1.54184","CuKα","","0.0511","0.0486","","","0.1365","0.1391","","","","","","1.07","","","","has coordinates,has disorder","232167","2020-10-21","18:00:00",""
"4347100","27.047","0.001","12.4775","0.0003","20.7383","0.0005","90","","96.14","0.003","90","","6958.6","0.4","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C70.5 H71 Au2 F12 N8 O2.5 P2 -","- C71 H71 Au2 F12 N8 O3 P2 -","- C284 H284 Au8 F48 N32 O12 P8 -","4","0.5","","Penney, Alexander A.; Sizov, Vladimir V.; Grachova, Elena V.; Krupenya, Dmitry V.; Gurzhiy, Vladislav V.; Starova, Galina L.; Tunik, Sergey P.","Aurophilicity in Action: Fine-Tuning the Gold(I)-Gold(I) Distance in the Excited State To Modulate the Emission in a Series of Dinuclear Homoleptic Gold(I)-NHC Complexes.","Inorganic chemistry","2016","55","10","4720","4732","10.1021/acs.inorgchem.5b02722","","","0.71073","MoKα","","0.0701","0.0412","","","0.0709","0.0838","","","","","","1.05","","","","has coordinates,has disorder","232167","2020-10-21","18:00:00",""
"4347101","9.2358","0.0006","13.6734","0.0009","16.3139","0.001","90","","91.974","0.002","90","","2059","0.2","153","2","153","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H20 P2 Se -","- C24 H20 P2 Se -","- C96 H80 P8 Se4 -","4","1","","Yogendra, Sivathmeehan; Chitnis, Saurabh S.; Hennersdorf, Felix; Bodensteiner, Michael; Fischer, Roland; Burford, Neil; Weigand, Jan J.","Condensation Reactions of Chlorophosphanes with Chalcogenides.","Inorganic chemistry","2016","55","4","1854","1860","10.1021/acs.inorgchem.5b02723","","","0.71073","MoKα","","0.0347","0.0291","","","0.0763","0.0855","","","","","","1.083","","","","has coordinates","232168","2020-10-21","18:00:00",""
"4347102","8.8123","0.0005","15.0897","0.0008","15.0874","0.0008","90","","91.709","0.002","90","","2005.35","0.19","153","2","153","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C16 H36 P2 Se -","- C16 H36 P2 Se -","- C64 H144 P8 Se4 -","4","2","","Yogendra, Sivathmeehan; Chitnis, Saurabh S.; Hennersdorf, Felix; Bodensteiner, Michael; Fischer, Roland; Burford, Neil; Weigand, Jan J.","Condensation Reactions of Chlorophosphanes with Chalcogenides.","Inorganic chemistry","2016","55","4","1854","1860","10.1021/acs.inorgchem.5b02723","","","0.71073","MoKα","","0.0293","0.0264","","","0.0631","0.0724","","","","","","1.098","","","","has coordinates","232169","2020-10-21","18:00:00",""
"4347103","10.5488","0.0002","16.6943","0.0003","14.8681","0.0003","90","","96.759","0.001","90","","2600.15","0.09","153","2","153","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C28 H20 Fe O4 P2 S -","- C28 H20 Fe O4 P2 S -","- C112 H80 Fe4 O16 P8 S4 -","4","1","","Yogendra, Sivathmeehan; Chitnis, Saurabh S.; Hennersdorf, Felix; Bodensteiner, Michael; Fischer, Roland; Burford, Neil; Weigand, Jan J.","Condensation Reactions of Chlorophosphanes with Chalcogenides.","Inorganic chemistry","2016","55","4","1854","1860","10.1021/acs.inorgchem.5b02723","","","0.71073","MoKα","","0.051","0.0358","","","0.1036","0.131","","","","","","1.181","","","","has coordinates","232170","2020-10-21","18:00:00",""
"4347104","10.665","0.002","12.9981","0.0019","13.882","0.003","66.155","0.014","76.939","0.019","67.296","0.016","1618.1","0.6","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H30 Br4 N8 Pd2 -","- C22 H30 Br4 N8 Pd2 -","- C44 H60 Br8 N16 Pd4 -","2","1","","Kumar, Anuj; Gangwar, Manoj Kumar; Prakasham, A. P.; Mhatre, Darshan; Kalita, Alok Ch; Ghosh, Prasenjit","Accessing a Biologically Relevant Benzofuran Skeleton by a One-Pot Tandem Heck Alkynylation/Cyclization Reaction Using Well-Defined Palladium N-Heterocyclic Carbene Complexes.","Inorganic chemistry","2016","55","6","2882","2893","10.1021/acs.inorgchem.5b02727","","","0.71075","MoKα","","0.0621","0.0509","","","0.1394","0.1472","","","","","","1.028","","","","has coordinates","232171","2020-10-21","18:00:00",""
"4347105","13.2731","0.0013","15.1119","0.0016","18.186","0.002","76.402","0.007","72.197","0.006","65.951","0.005","3145.9","0.6","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C23 H32 Br4 N8 Pd2 -","- C23 H32 Br4 N8 Pd2 -","- C92 H128 Br16 N32 Pd8 -","4","2","","Kumar, Anuj; Gangwar, Manoj Kumar; Prakasham, A. P.; Mhatre, Darshan; Kalita, Alok Ch; Ghosh, Prasenjit","Accessing a Biologically Relevant Benzofuran Skeleton by a One-Pot Tandem Heck Alkynylation/Cyclization Reaction Using Well-Defined Palladium N-Heterocyclic Carbene Complexes.","Inorganic chemistry","2016","55","6","2882","2893","10.1021/acs.inorgchem.5b02727","","","0.71075","MoKα","","0.0624","0.0493","","","0.1118","0.1215","","","","","","0.966","","","","has coordinates","232171","2020-10-21","18:00:00",""
"4347106","17.937","0.002","25.291","0.003","13.2153","0.0018","90","","90","","90","","5995.1","1.3","150","2","150","2","","","","","","","","6","A e a 2","A 2 -2ab","41","","","","- C48 H50 Br4 N6 P2 Pd2 -","- C48 H50 Br4 N6 P2 Pd2 -","- C192 H200 Br16 N24 P8 Pd8 -","4","0.5","","Kumar, Anuj; Gangwar, Manoj Kumar; Prakasham, A. P.; Mhatre, Darshan; Kalita, Alok Ch; Ghosh, Prasenjit","Accessing a Biologically Relevant Benzofuran Skeleton by a One-Pot Tandem Heck Alkynylation/Cyclization Reaction Using Well-Defined Palladium N-Heterocyclic Carbene Complexes.","Inorganic chemistry","2016","55","6","2882","2893","10.1021/acs.inorgchem.5b02727","","","0.71075","MoKα","","0.0201","0.02","","","0.0501","0.0502","","","","","","1.041","","","","has coordinates","232171","2020-10-21","18:00:00",""
"4347107","10.071","0.002","14.881","0.003","18.59","0.004","90","","105.257","0.01","90","","2687.8","1","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C51 H55 Br4 N7 P2 Pd2 -","- C51 H55 Br4 N7 P2 Pd2 -","- C102 H110 Br8 N14 P4 Pd4 -","2","1","","Kumar, Anuj; Gangwar, Manoj Kumar; Prakasham, A. P.; Mhatre, Darshan; Kalita, Alok Ch; Ghosh, Prasenjit","Accessing a Biologically Relevant Benzofuran Skeleton by a One-Pot Tandem Heck Alkynylation/Cyclization Reaction Using Well-Defined Palladium N-Heterocyclic Carbene Complexes.","Inorganic chemistry","2016","55","6","2882","2893","10.1021/acs.inorgchem.5b02727","","","0.71075","MoKα","","0.0301","0.0277","","","0.063","0.064","","","","","","1.023","","","","has coordinates","232171","2020-10-21","18:00:00",""
"4347108","8.698","0.003","10.803","0.003","12.362","0.004","100.223","0.003","97.906","0.004","103.88","0.005","1089.9","0.6","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C34 H36 F12 N10 O8 Pd2 -","- C34 H36 F12 N10 O8 Pd2 -","- C34 H36 F12 N10 O8 Pd2 -","1","0.5","","Kumar, Anuj; Gangwar, Manoj Kumar; Prakasham, A. P.; Mhatre, Darshan; Kalita, Alok Ch; Ghosh, Prasenjit","Accessing a Biologically Relevant Benzofuran Skeleton by a One-Pot Tandem Heck Alkynylation/Cyclization Reaction Using Well-Defined Palladium N-Heterocyclic Carbene Complexes.","Inorganic chemistry","2016","55","6","2882","2893","10.1021/acs.inorgchem.5b02727","","","0.71075","MoKα","","0.0922","0.0702","","","0.1771","0.1986","","","","","","1.08","","","","has coordinates","276340","2022-06-28","16:01:47",""
"4347109","10.6995","0.0015","10.7438","0.0013","14.055","0.002","70.781","0.005","84.39","0.008","76.156","0.007","1481","0.4","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C56 H50 F12 N6 O8 P2 Pd2 -","- C56 H50 F12 N6 O8 P2 Pd2 -","- C56 H50 F12 N6 O8 P2 Pd2 -","1","0.5","","Kumar, Anuj; Gangwar, Manoj Kumar; Prakasham, A. P.; Mhatre, Darshan; Kalita, Alok Ch; Ghosh, Prasenjit","Accessing a Biologically Relevant Benzofuran Skeleton by a One-Pot Tandem Heck Alkynylation/Cyclization Reaction Using Well-Defined Palladium N-Heterocyclic Carbene Complexes.","Inorganic chemistry","2016","55","6","2882","2893","10.1021/acs.inorgchem.5b02727","","","0.7107","MoKα","","0.0328","0.029","","","0.0696","0.0709","","","","","","0.998","","","","has coordinates","276340","2022-06-28","16:01:47",""
"4347110","12.34","0.003","12.563","0.003","20.985","0.005","85.743","0.005","88.822","0.007","83.674","0.006","3224.3","1.3","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C57 H54 F12 N6 O9 P2 Pd2 -","- C57 H54 F12 N6 O9 P2 Pd2 -","- C114 H108 F24 N12 O18 P4 Pd4 -","2","1","","Kumar, Anuj; Gangwar, Manoj Kumar; Prakasham, A. P.; Mhatre, Darshan; Kalita, Alok Ch; Ghosh, Prasenjit","Accessing a Biologically Relevant Benzofuran Skeleton by a One-Pot Tandem Heck Alkynylation/Cyclization Reaction Using Well-Defined Palladium N-Heterocyclic Carbene Complexes.","Inorganic chemistry","2016","55","6","2882","2893","10.1021/acs.inorgchem.5b02727","","","0.71075","MoKα","","0.0553","0.0452","","","0.0915","0.0979","","","","","","1.064","","","","has coordinates","276340","2022-06-28","16:01:47",""
"4347111","9.223","0.005","12.844","0.006","13.91","0.007","90.184","0.012","93.046","0.014","91.594","0.009","1644.8","1.4","150","","150","","","","","","","","","5","P -1","-P 1","2","","","","- C12 H18 Br2 N4 Pd -","- C12 H18 Br2 N4 Pd -","- C48 H72 Br8 N16 Pd4 -","4","2","","Kumar, Anuj; Gangwar, Manoj Kumar; Prakasham, A. P.; Mhatre, Darshan; Kalita, Alok Ch; Ghosh, Prasenjit","Accessing a Biologically Relevant Benzofuran Skeleton by a One-Pot Tandem Heck Alkynylation/Cyclization Reaction Using Well-Defined Palladium N-Heterocyclic Carbene Complexes.","Inorganic chemistry","2016","55","6","2882","2893","10.1021/acs.inorgchem.5b02727","","","0.71075","MoKα","","0.0557","0.0419","","","0.0817","0.0869","","","","","","0.945","","","","has coordinates","232171","2020-10-21","18:00:00",""
"4347112","9.367","0.003","16.275","0.004","17.136","0.005","90","","98.271","0.004","90","","2585.2","1.3","150","","150","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C25 H27 Br2 N3 P Pd -","- C25 H27 Br2 N3 P Pd -","- C100 H108 Br8 N12 P4 Pd4 -","4","1","","Kumar, Anuj; Gangwar, Manoj Kumar; Prakasham, A. P.; Mhatre, Darshan; Kalita, Alok Ch; Ghosh, Prasenjit","Accessing a Biologically Relevant Benzofuran Skeleton by a One-Pot Tandem Heck Alkynylation/Cyclization Reaction Using Well-Defined Palladium N-Heterocyclic Carbene Complexes.","Inorganic chemistry","2016","55","6","2882","2893","10.1021/acs.inorgchem.5b02727","","","0.7107","MoKα","","0.0403","0.0351","","","0.077","0.0794","","","","","","1.084","","","","has coordinates","232171","2020-10-21","18:00:00",""
"4347113","13.499","0.0005","5.6223","0.0002","22.2168","0.001","90","","100.521","0.001","90","","1657.81","0.11","301","2","301","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- La4 O22 Si4 V4.73 Zn0.27 -","- La4 O22 Si4 V4.729 Zn0.271 -","- La16 O88 Si16 V18.916 Zn1.084 -","4","0.5","","Abeysinghe, Dileka; Smith, Mark D.; Yeon, Jeongho; Morrison, Gregory; zur Loye, Hans-Conrad","New Lanthanide Mixed-Valent Vanadium(III/IV) Oxosilicates, Ln4V(5-x)Zn(x)Si4O22 (Ln = La, Ce, Pr, and Nd), Crystallizing in a Quasi Two-Dimensional Rutile-Based Structure.","Inorganic chemistry","2016","55","4","1821","1830","10.1021/acs.inorgchem.5b02735","","","0.71073","MoKα","","0.0317","0.0195","","","0.033","0.0362","","","","","","1.122","","","","has coordinates","232172","2020-10-21","18:00:00",""
"4347114","13.438","0.0005","5.612","0.0002","22.1173","0.0009","90","","100.543","0.0008","90","","1639.8","0.11","301","2","301","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- Ce4 O22 Si4 V4.77 Zn0.23 -","- Ce4 O22 Si4 V4.766 Zn0.234 -","- Ce16 O88 Si16 V19.064 Zn0.936 -","4","0.5","","Abeysinghe, Dileka; Smith, Mark D.; Yeon, Jeongho; Morrison, Gregory; zur Loye, Hans-Conrad","New Lanthanide Mixed-Valent Vanadium(III/IV) Oxosilicates, Ln4V(5-x)Zn(x)Si4O22 (Ln = La, Ce, Pr, and Nd), Crystallizing in a Quasi Two-Dimensional Rutile-Based Structure.","Inorganic chemistry","2016","55","4","1821","1830","10.1021/acs.inorgchem.5b02735","","","0.71073","MoKα","","0.0197","0.0175","","","0.0411","0.0422","","","","","","1.315","","","","has coordinates","232172","2020-10-21","18:00:00",""
"4347115","13.3881","0.0004","5.6021","0.0002","22.0406","0.0008","90","","100.571","0.0007","90","","1625.02","0.1","301","2","301","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- O22 Pr4 Si4 V4.74 Zn0.26 -","- O22 Pr4 Si4 V4.741 Zn0.259 -","- O88 Pr16 Si16 V18.964 Zn1.036 -","4","0.5","","Abeysinghe, Dileka; Smith, Mark D.; Yeon, Jeongho; Morrison, Gregory; zur Loye, Hans-Conrad","New Lanthanide Mixed-Valent Vanadium(III/IV) Oxosilicates, Ln4V(5-x)Zn(x)Si4O22 (Ln = La, Ce, Pr, and Nd), Crystallizing in a Quasi Two-Dimensional Rutile-Based Structure.","Inorganic chemistry","2016","55","4","1821","1830","10.1021/acs.inorgchem.5b02735","","","0.71073","MoKα","","0.0197","0.0157","","","0.0317","0.0328","","","","","","1.158","","","","has coordinates","232172","2020-10-21","18:00:00",""
"4347116","13.3232","0.0007","5.6016","0.0003","21.9856","0.0015","90","","100.651","0.0017","90","","1612.55","0.16","301","2","301","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- Nd4 O22 Si4 V4.53 Zn0.47 -","- Nd4 O22 Si4 V4.533 Zn0.467 -","- Nd16 O88 Si16 V18.132 Zn1.868 -","4","0.5","","Abeysinghe, Dileka; Smith, Mark D.; Yeon, Jeongho; Morrison, Gregory; zur Loye, Hans-Conrad","New Lanthanide Mixed-Valent Vanadium(III/IV) Oxosilicates, Ln4V(5-x)Zn(x)Si4O22 (Ln = La, Ce, Pr, and Nd), Crystallizing in a Quasi Two-Dimensional Rutile-Based Structure.","Inorganic chemistry","2016","55","4","1821","1830","10.1021/acs.inorgchem.5b02735","","","0.71073","MoKα","","0.0306","0.0214","","","0.0355","0.0378","","","","","","1.116","","","","has coordinates","232172","2020-10-21","18:00:00",""
"4347117","16.929","0.003","23.299","0.005","13.836","0.003","90","","105.73","0.03","90","","5253","2","213","2","213","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C38 H64 Cl N9 Ni2 O4 S2 -","- C38 H64 Cl N9 Ni2 O4 S2 -","- C152 H256 Cl4 N36 Ni8 O16 S8 -","4","1","","Jeremies, Alexander; Gruschinski, Sina; Meyer, Michel; Matulis, Vitaly; Ivashkevich, Oleg A.; Kobalz, Karolin; Kersting, Berthold","Azide Binding Controlled by Steric Interactions in Second Sphere. Synthesis, Crystal Structure, and Magnetic Properties of [Ni(II)2(L)(μ(1,1)-N3)][ClO4] (L = Macrocyclic N6S2 Ligand).","Inorganic chemistry","2016","55","4","1843","1853","10.1021/acs.inorgchem.5b02743","","","0.71073","MoKα","","0.0637","0.0449","","","0.1141","0.119","","","","","","0.893","","","","has coordinates,has disorder","232173","2020-10-21","18:00:00",""
"4347118","26.1924","0.0004","12.5713","0.0002","33.1849","0.0005","90","","91.8576","0.0014","90","","10921.1","0.3","150","0.1","150","0.1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","PbI2dppn","","- C44 H24 I2 N8 Pb -","- C44 H24 I2 N8 Pb -","- C528 H288 I24 N96 Pb12 -","12","1.5","","Travis, Will; Knapp, Caroline E.; Savory, Christopher N.; Ganose, Alex M.; Kafourou, Panagiota; Song, Xingchi; Sharif, Zainab; Cockcroft, Jeremy K.; Scanlon, David O.; Bronstein, Hugo; Palgrave, Robert G.","Hybrid Organic-Inorganic Coordination Complexes as Tunable Optical Response Materials.","Inorganic chemistry","2016","55","7","3393","3400","10.1021/acs.inorgchem.5b02749","","x-ray","1.54184","CuKα","","0.0552","0.0404","","","0.0962","0.1046","","","","","","1.026","","","","has coordinates,has disorder","232174","2020-10-21","18:00:00",""
"4347119","8.33531","0.00018","15.9159","0.0003","14.4471","0.0003","90","","101.03","0.002","90","","1881.2","0.07","99","","99","","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","lead diiodide dipyridophenazine","","- C18 H10 I2 N4 Pb -","- C18 H10 I2 N4 Pb -","- C72 H40 I8 N16 Pb4 -","4","0.5","","Travis, Will; Knapp, Caroline E.; Savory, Christopher N.; Ganose, Alex M.; Kafourou, Panagiota; Song, Xingchi; Sharif, Zainab; Cockcroft, Jeremy K.; Scanlon, David O.; Bronstein, Hugo; Palgrave, Robert G.","Hybrid Organic-Inorganic Coordination Complexes as Tunable Optical Response Materials.","Inorganic chemistry","2016","55","7","3393","3400","10.1021/acs.inorgchem.5b02749","","x-ray","1.54184","CuKα","","0.0465","0.0444","","","0.1209","0.1235","","","","","","1.107","","","","has coordinates,has disorder","232175","2020-10-21","18:00:00",""
"4347120","9.166","0.0004","11.4763","0.0008","12.2682","0.0007","106.317","0.006","91.421","0.004","92.341","0.005","1236.61","0.13","150","0.1","150","0.1","","","","","","","","6","P -1","-P 1","2","","Bismuth triiodide dipyridophenazine","","- C42 H34 Bi2 I6 N10 O2 -","- C42 H34 Bi2 I6 N10 O2 -","- C42 H34 Bi2 I6 N10 O2 -","1","0.5","","Travis, Will; Knapp, Caroline E.; Savory, Christopher N.; Ganose, Alex M.; Kafourou, Panagiota; Song, Xingchi; Sharif, Zainab; Cockcroft, Jeremy K.; Scanlon, David O.; Bronstein, Hugo; Palgrave, Robert G.","Hybrid Organic-Inorganic Coordination Complexes as Tunable Optical Response Materials.","Inorganic chemistry","2016","55","7","3393","3400","10.1021/acs.inorgchem.5b02749","","x-ray","1.54184","CuKα","","0.0401","0.0342","","","0.0844","0.0902","","","","","","1.016","","","","has coordinates,has disorder","232176","2020-10-21","18:00:00",""
"4347121","8.57429","0.00019","12.9571","0.0003","14.3855","0.0003","116.265","0.002","98.2161","0.0019","90.5808","0.0017","1413.63","0.06","150.3","0.7","150.3","0.7","","","","","","","","6","P -1","-P 1","2","","BiI3dppn","","- C27 H21 Bi I3 N5 O -","- C27 H21 Bi I3 N5 O -","- C54 H42 Bi2 I6 N10 O2 -","2","1","","Travis, Will; Knapp, Caroline E.; Savory, Christopher N.; Ganose, Alex M.; Kafourou, Panagiota; Song, Xingchi; Sharif, Zainab; Cockcroft, Jeremy K.; Scanlon, David O.; Bronstein, Hugo; Palgrave, Robert G.","Hybrid Organic-Inorganic Coordination Complexes as Tunable Optical Response Materials.","Inorganic chemistry","2016","55","7","3393","3400","10.1021/acs.inorgchem.5b02749","","x-ray","1.54184","CuKα","","0.0299","0.0283","","","0.0738","0.0751","","","","","","1.038","","","","has coordinates","232177","2020-10-21","18:00:00",""
"4347122","31.9125","0.001","13.2104","0.0002","27.7411","0.0008","90","","120.658","0.002","90","","10060.4","0.5","133","2","133","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C99 H71 Br4 F24 Fe4 N25 O2 P4 -","- C99 H71 Br4 F24 Fe4 N25 O2 P4 -","- C396 H284 Br16 F96 Fe16 N100 O8 P16 -","4","0.5","","Steinert, Markus; Schneider, Benjamin; Dechert, Sebastian; Demeshko, Serhiy; Meyer, Franc","Spin-State Versatility in a Series of Fe4 [2 ×2] Grid Complexes: Effects of Counteranions, Lattice Solvent, and Intramolecular Cooperativity.","Inorganic chemistry","2016","55","5","2363","2373","10.1021/acs.inorgchem.5b02762","","","0.71073","MoKα","","0.0826","0.0609","","","0.1347","0.1455","","","","","","1.046","","","","has coordinates,has disorder","232178","2020-10-21","18:00:00",""
"4347123","14.1679","0.0002","27.6422","0.0006","28.2611","0.0004","90","","90.295","0.001","90","","11067.8","0.3","133","2","133","2","","","","","","","","8","P 1 21 1","P 2yb","4","","","","- C104 H84 Br4 F24 Fe4 N28 O4 P4 -","- C104 H84 Br4 F24 Fe4 N28 O4 P4 -","- C416 H336 Br16 F96 Fe16 N112 O16 P16 -","4","2","","Steinert, Markus; Schneider, Benjamin; Dechert, Sebastian; Demeshko, Serhiy; Meyer, Franc","Spin-State Versatility in a Series of Fe4 [2 ×2] Grid Complexes: Effects of Counteranions, Lattice Solvent, and Intramolecular Cooperativity.","Inorganic chemistry","2016","55","5","2363","2373","10.1021/acs.inorgchem.5b02762","","","0.71073","MoKα","","0.0919","0.0639","","","0.1211","0.1303","","","","","","1.052","","","","has coordinates,has disorder","232178","2020-10-21","18:00:00",""
"4347124","19.2517","0.0005","20.2665","0.0006","28.581","0.0008","77.211","0.002","88.923","0.002","86.843","0.002","10857.9","0.5","133","2","133","2","","","","","","","","7","P -1","-P 1","2","","","","- C193.5 H135.5 Br8 Cl8 Fe8 N48.5 O36.5 -","- C193.5 H135.5 Br8 Cl7.5 Fe8 N48.5 O34.5 -","- C387 H271 Br16 Cl15 Fe16 N97 O69 -","2","1","","Steinert, Markus; Schneider, Benjamin; Dechert, Sebastian; Demeshko, Serhiy; Meyer, Franc","Spin-State Versatility in a Series of Fe4 [2 ×2] Grid Complexes: Effects of Counteranions, Lattice Solvent, and Intramolecular Cooperativity.","Inorganic chemistry","2016","55","5","2363","2373","10.1021/acs.inorgchem.5b02762","","","0.71073","MoKα","","0.1346","0.0919","","","0.218","0.2414","","","","","","1.041","","","","has coordinates,has disorder","232178","2020-10-21","18:00:00",""
"4347125","24.1748","0.0005","24.1748","0.0005","45.7058","0.0011","90","","90","","90","","26711.4","1","293","2","293","2","","","","","","","","7","I 41/a c d :2","-I 4bd 2c","142","","","","- C92 H56 B4 Br4 F16 Fe4 N24 -","- C92 H56 B4 Br4 F16 Fe4 N24 -","- C736 H448 B32 Br32 F128 Fe32 N192 -","8","0.25","","Steinert, Markus; Schneider, Benjamin; Dechert, Sebastian; Demeshko, Serhiy; Meyer, Franc","Spin-State Versatility in a Series of Fe4 [2 ×2] Grid Complexes: Effects of Counteranions, Lattice Solvent, and Intramolecular Cooperativity.","Inorganic chemistry","2016","55","5","2363","2373","10.1021/acs.inorgchem.5b02762","","","0.71073","MoKα","","0.1105","0.0812","","","0.1805","0.1963","","","","","","1.102","","","","has coordinates,has disorder","232178","2020-10-21","18:00:00",""
"4347126","20.1962","0.0003","20.1962","0.0003","25.0077","0.0004","90","","90","","90","","10200.3","0.3","133","2","133","2","","","","","","","","6","I -4","I -4","82","","","","- C104 H84 Br8 Fe4 N28 O6 -","- C104 H84 Br8 Fe4 N28 O6 -","- C416 H336 Br32 Fe16 N112 O24 -","4","0.5","","Steinert, Markus; Schneider, Benjamin; Dechert, Sebastian; Demeshko, Serhiy; Meyer, Franc","Spin-State Versatility in a Series of Fe4 [2 ×2] Grid Complexes: Effects of Counteranions, Lattice Solvent, and Intramolecular Cooperativity.","Inorganic chemistry","2016","55","5","2363","2373","10.1021/acs.inorgchem.5b02762","","","0.71073","MoKα","","0.0271","0.0246","","","0.0526","0.0533","","","","","","1.056","","","","has coordinates,has disorder","232178","2020-10-21","18:00:00",""
"4347127","11.002","0.0006","15.1694","0.0008","19.7883","0.0011","90","","101.371","0.002","90","","3237.7","0.3","153","2","153","2","","","","","","","","9","P 1 21/n 1","-P 2yn","14","","","","- C56 H68 B2 Cl2 Cu4 N12 P2 S6 W2 -","- C56 H68 B2 Cl2 Cu4 N12 P2 S6 W2 -","- C112 H136 B4 Cl4 Cu8 N24 P4 S12 W4 -","2","0.5","","Zhao, Xin; Zhou, Feng; Liu, Quan; Chen, Qiu-Fang; Yang, Jun-Yi; Zhang, Wen-Hua; Song, Ying-Lin; Lang, Jian-Ping","Diverse Tp*-Capped W-Cu-S Clusters from One-Pot Assembly Involving in Situ Thiolation of Phosphines.","Inorganic chemistry","2016","55","4","1861","1871","10.1021/acs.inorgchem.5b02765","","","0.71073","MoKα","","0.1082","0.0611","","","0.107","0.1203","","","","","","1.076","","","","has coordinates","232179","2020-10-21","18:00:00",""
"4347128","14.7481","0.0003","17.1976","0.0005","17.689","0.0004","94.476","0.002","114.079","0.002","103.481","0.002","3906.75","0.19","291.47","0.1","291.47","0.02","","","","","","","","10","P -1","-P 1","2","","","","- C71 H77 B Cl2 Cu4 F6 N7 P5 S3 W -","- C71 H77 B Cl2 Cu4 F6 N7 P5 S3 W -","- C142 H154 B2 Cl4 Cu8 F12 N14 P10 S6 W2 -","2","1","","Zhao, Xin; Zhou, Feng; Liu, Quan; Chen, Qiu-Fang; Yang, Jun-Yi; Zhang, Wen-Hua; Song, Ying-Lin; Lang, Jian-Ping","Diverse Tp*-Capped W-Cu-S Clusters from One-Pot Assembly Involving in Situ Thiolation of Phosphines.","Inorganic chemistry","2016","55","4","1861","1871","10.1021/acs.inorgchem.5b02765","","","0.71073","MoKα","","0.0678","0.0473","","","0.1196","0.134","","","","","","1.031","","","","has coordinates","232179","2020-10-21","18:00:00",""
"4347129","12.3868","0.0003","16.7215","0.0005","24.5144","0.0007","72.905","0.003","88.959","0.002","72.706","0.002","4620.5","0.2","234","2","234","2","","","","","","","","10","P -1","-P 1","2","","","","- C57 H70 B2 Cl3 Cu6 F6 N12 P3 S8 W2 -","- C57 H70 B2 Cl3 Cu6 F6 N12 P3 S8 W2 -","- C114 H140 B4 Cl6 Cu12 F12 N24 P6 S16 W4 -","2","1","","Zhao, Xin; Zhou, Feng; Liu, Quan; Chen, Qiu-Fang; Yang, Jun-Yi; Zhang, Wen-Hua; Song, Ying-Lin; Lang, Jian-Ping","Diverse Tp*-Capped W-Cu-S Clusters from One-Pot Assembly Involving in Situ Thiolation of Phosphines.","Inorganic chemistry","2016","55","4","1861","1871","10.1021/acs.inorgchem.5b02765","","","0.71073","MoKα","","0.0796","0.051","","","0.1273","0.1416","","","","","","1.018","","","","has coordinates","232179","2020-10-21","18:00:00",""
"4347130","10.3572","0.0004","14.0594","0.0005","15.5995","0.0012","77.091","0.005","71.087","0.005","71.093","0.003","2015.1","0.2","220","2","220","2","","","","","","","","10","P -1","-P 1","2","","","","- C62 H82 B2 Cl2 Cu4 N14 O2 P2 S8 W2 -","- C62 H82 B2 Cl2 Cu4 N14 O2 P2 S8 W2 -","- C62 H82 B2 Cl2 Cu4 N14 O2 P2 S8 W2 -","1","0.5","","Zhao, Xin; Zhou, Feng; Liu, Quan; Chen, Qiu-Fang; Yang, Jun-Yi; Zhang, Wen-Hua; Song, Ying-Lin; Lang, Jian-Ping","Diverse Tp*-Capped W-Cu-S Clusters from One-Pot Assembly Involving in Situ Thiolation of Phosphines.","Inorganic chemistry","2016","55","4","1861","1871","10.1021/acs.inorgchem.5b02765","","","0.71073","MoKα","","0.104","0.0843","","","0.2248","0.241","","","","","","1.123","","","","has coordinates","232179","2020-10-21","18:00:00",""
"4347131","11.8352","0.0006","13.1013","0.0007","14.2767","0.0006","101.059","0.004","99.45","0.004","108.508","0.005","1999.06","0.19","223","2","223","2","","","","","","","","9","P -1","-P 1","2","","","","- C58 H72 B2 Cl4 Cu6 N12 P2 S8 W2 -","- C58 H72 B2 Cl4 Cu6 N12 P2 S8 W2 -","- C58 H72 B2 Cl4 Cu6 N12 P2 S8 W2 -","1","0.5","","Zhao, Xin; Zhou, Feng; Liu, Quan; Chen, Qiu-Fang; Yang, Jun-Yi; Zhang, Wen-Hua; Song, Ying-Lin; Lang, Jian-Ping","Diverse Tp*-Capped W-Cu-S Clusters from One-Pot Assembly Involving in Situ Thiolation of Phosphines.","Inorganic chemistry","2016","55","4","1861","1871","10.1021/acs.inorgchem.5b02765","","","0.71073","MoKα","","0.07","0.0454","","","0.0932","0.1038","","","","","","1.016","","","","has coordinates","232179","2020-10-21","18:00:00",""
"4347132","18.4883","0.0003","18.4883","0.0003","46.7635","0.0015","90","","90","","120","","13843","0.5","285","2","285","2","","","","","","","","11","R -3 :H","-R 3","148","","","","- C133.5 H133 B4 Cl4 Cu12 F6 N24 O0 P7 S24 W4 -","- C133.5 H133 B4 Cl4 Cu12 F6 N24 P7 S24 W4 -","- C400.5 H399 B12 Cl12 Cu36 F18 N72 P21 S72 W12 -","3","0.166667","","Zhao, Xin; Zhou, Feng; Liu, Quan; Chen, Qiu-Fang; Yang, Jun-Yi; Zhang, Wen-Hua; Song, Ying-Lin; Lang, Jian-Ping","Diverse Tp*-Capped W-Cu-S Clusters from One-Pot Assembly Involving in Situ Thiolation of Phosphines.","Inorganic chemistry","2016","55","4","1861","1871","10.1021/acs.inorgchem.5b02765","","","0.71073","MoKα","","0.0673","0.0475","","","0.144","0.1656","","","","","","1.134","","","","has coordinates","232179","2020-10-21","18:00:00",""
"4347133","7.3941","0.0005","7.5001","0.0009","11.5087","0.0009","78.637","0.008","89.655","0.006","72.761","0.009","596.68","0.1","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C10 H7 Cu N7 O -","- C10 H7 Cu N7 O -","- C20 H14 Cu2 N14 O2 -","2","1","","Zhang, Xiaoying; Li, Bo; Zhang, Jingping","An Efficient Strategy for Self-Assembly of DNA-Mimic Homochiral 1D Helical Cu(II) Chain from Achiral Flexible Ligand by Spontaneous Resolution.","Inorganic chemistry","2016","55","7","3378","3383","10.1021/acs.inorgchem.5b02785","","","0.71073","MoKα","","0.0389","0.034","","","0.0731","0.0781","","","","","","1.067","","","","has coordinates","232180","2020-10-21","18:00:00",""
"4347134","11.6206","0.0004","11.655","0.0005","9.089","0.0003","90","","90.768","0.003","90","","1230.89","0.08","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C10 H7 Cu N7 O -","- C10 H7 Cu N7 O -","- C40 H28 Cu4 N28 O4 -","4","1","","Zhang, Xiaoying; Li, Bo; Zhang, Jingping","An Efficient Strategy for Self-Assembly of DNA-Mimic Homochiral 1D Helical Cu(II) Chain from Achiral Flexible Ligand by Spontaneous Resolution.","Inorganic chemistry","2016","55","7","3378","3383","10.1021/acs.inorgchem.5b02785","","","0.71073","MoKα","","0.0438","0.0339","","","0.0746","0.0812","","","","","","1.038","","","","has coordinates","232180","2020-10-21","18:00:00",""
"4347135","10.295","0.001","19.769","0.002","10.659","0.001","90","","118.39","","90","","1908.4","0.3","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C34 H33 Cu4 N11 O8 -","- C34 H33 Cu4 N11 O8 -","- C68 H66 Cu8 N22 O16 -","2","1","","Zhang, Xiaoying; Li, Bo; Zhang, Jingping","An Efficient Strategy for Self-Assembly of DNA-Mimic Homochiral 1D Helical Cu(II) Chain from Achiral Flexible Ligand by Spontaneous Resolution.","Inorganic chemistry","2016","55","7","3378","3383","10.1021/acs.inorgchem.5b02785","","","0.71073","MoKα","","0.0635","0.0491","","","0.09","0.0973","","","","","","1.019","","","","has coordinates","232180","2020-10-21","18:00:00",""
"4347136","10.2456","0.0007","19.6746","0.001","10.6121","0.0007","90","0.009","118.41","","90","","1881.5","0.2","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C34 H33 Cu4 N11 O8 -","- C34 H33 Cu4 N11 O8 -","- C68 H66 Cu8 N22 O16 -","2","1","","Zhang, Xiaoying; Li, Bo; Zhang, Jingping","An Efficient Strategy for Self-Assembly of DNA-Mimic Homochiral 1D Helical Cu(II) Chain from Achiral Flexible Ligand by Spontaneous Resolution.","Inorganic chemistry","2016","55","7","3378","3383","10.1021/acs.inorgchem.5b02785","","","0.71073","MoKα","","0.0443","0.036","","","0.0657","0.0696","","","","","","1.018","","","","has coordinates","232180","2020-10-21","18:00:00",""
"4347137","22.521","0.018","13.22","0.018","24.87","0.03","90","","90","","90","","7404","15","296","2","296","2","","","","","","","","7","C m c e","-C 2ac 2","64","","","","- C26 H38.4 Cu2 K N8 Na O16.2 -","- C26 H40.4 Cu2 K N8 Na O16.2 -","- C208 H323.2 Cu16 K8 N64 Na8 O129.6 -","8","0.5","","Fernandes, Tamires S.; Vilela, Ramon S.; Valdo, Ana K.; Martins, Felipe T.; García-España, Enrique; Inclán, Mario; Cano, Joan; Lloret, Francesc; Julve, Miguel; Stumpf, Humberto O.; Cangussu, Danielle","Dicopper(II) Metallacyclophanes with N,N'-2,6-Pyridinebis(oxamate): Solution Study, Synthesis, Crystal Structures, and Magnetic Properties.","Inorganic chemistry","2016","55","5","2390","2401","10.1021/acs.inorgchem.5b02786","","","0.71073","MoKα","","0.0828","0.0528","","","0.1155","0.1306","","","","","","1.017","","","","has coordinates,has disorder","232181","2020-10-21","18:00:00",""
"4347138","22.407","0.003","15.961","0.002","16.0589","0.0018","90","","116.624","0.002","90","","5134.3","1.1","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C34 H62 Cu2 N10 O16 -","- C34 H62 Cu2 N10 O16 -","- C136 H248 Cu8 N40 O64 -","4","0.5","","Fernandes, Tamires S.; Vilela, Ramon S.; Valdo, Ana K.; Martins, Felipe T.; García-España, Enrique; Inclán, Mario; Cano, Joan; Lloret, Francesc; Julve, Miguel; Stumpf, Humberto O.; Cangussu, Danielle","Dicopper(II) Metallacyclophanes with N,N'-2,6-Pyridinebis(oxamate): Solution Study, Synthesis, Crystal Structures, and Magnetic Properties.","Inorganic chemistry","2016","55","5","2390","2401","10.1021/acs.inorgchem.5b02786","","","0.71073","MoKα","","0.1214","0.0938","","","0.3062","0.3389","","","","","","1.303","","","","has coordinates,has disorder","232181","2020-10-21","18:00:00",""
"4347139","13.0966","0.0008","21.1127","0.0013","14.9035","0.0008","90","","90","","90","","4120.9","0.4","296","2","296","2","","","","","","","","7","P b c m","-P 2c 2b","57","","","","- C18 H36 Cl2 Cu2 N6 Na6 O27 -","- C18 H36 Cl2 Cu2 N6 Na6 O27 -","- C72 H144 Cl8 Cu8 N24 Na24 O108 -","4","0.5","","Fernandes, Tamires S.; Vilela, Ramon S.; Valdo, Ana K.; Martins, Felipe T.; García-España, Enrique; Inclán, Mario; Cano, Joan; Lloret, Francesc; Julve, Miguel; Stumpf, Humberto O.; Cangussu, Danielle","Dicopper(II) Metallacyclophanes with N,N'-2,6-Pyridinebis(oxamate): Solution Study, Synthesis, Crystal Structures, and Magnetic Properties.","Inorganic chemistry","2016","55","5","2390","2401","10.1021/acs.inorgchem.5b02786","","","0.71073","MoKα","","0.0622","0.05","","","0.1362","0.1459","","","","","","1.034","","","","has coordinates","232181","2020-10-21","18:00:00",""
"4347140","16.3918","0.0006","11.3097","0.0005","8.0218","0.0003","90","","90","","90","","1487.13","0.1","193","2","193","2","","","","","","","","5","P m n 21","P 2ac -2","31","","","","- C27 H36 Fe2 N6 S2 -","- C27 H36 Fe2 N6 S2 -","- C54 H72 Fe4 N12 S4 -","2","0.5","","Zhou, Xiaoyuan; Barton, Bryan E.; Chambers, Geoffrey M.; Rauchfuss, Thomas B.; Arrigoni, Federica; Zampella, Giuseppe","Preparation and Protonation of Fe2(pdt)(CNR)6, Electron-Rich Analogues of Fe2(pdt)(CO)6.","Inorganic chemistry","2016","55","7","3401","3412","10.1021/acs.inorgchem.5b02789","","","0.71073","MoKα","","0.0305","0.0261","","","0.0579","0.0594","","","","","","1.073","","","","has coordinates,has disorder","232182","2020-10-21","18:00:00",""
"4347141","12.0929","0.0006","21.3105","0.0011","17.7067","0.0009","90","","90.5607","0.0017","90","","4562.9","0.4","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C45 H30 Cl6 Fe2 N6 S2 -","- C45 H30 Cl6 Fe2 N6 S2 -","- C180 H120 Cl24 Fe8 N24 S8 -","4","1","","Zhou, Xiaoyuan; Barton, Bryan E.; Chambers, Geoffrey M.; Rauchfuss, Thomas B.; Arrigoni, Federica; Zampella, Giuseppe","Preparation and Protonation of Fe2(pdt)(CNR)6, Electron-Rich Analogues of Fe2(pdt)(CO)6.","Inorganic chemistry","2016","55","7","3401","3412","10.1021/acs.inorgchem.5b02789","","","0.71073","MoKα","","0.0755","0.0649","","","0.161","0.1704","","","","","","1.088","","","","has coordinates,has disorder","232182","2020-10-21","18:00:00",""
"4347142","40.264","0.004","52.631","0.005","15.3486","0.0016","90","","108.878","0.002","90","","30776","5","173","2","173","2","","","","","","","","4","C 1 2/m 1","-C 2y","12","","","","- C280 H644 Mn70 O362 -","- C214 H375 Mn70 O258 -","- C428 H750 Mn140 O516 -","2","0.25","","Vinslava, Alina; Tasiopoulos, Anastasios J.; Wernsdorfer, Wolfgang; Abboud, Khalil A.; Christou, George","Molecules at the Quantum-Classical Nanoparticle Interface: Giant Mn70 Single-Molecule Magnets of ∼4 nm Diameter.","Inorganic chemistry","2016","55","7","3419","3430","10.1021/acs.inorgchem.5b02790","","","0.71073","MoKα","","0.1866","0.0694","","","0.1623","0.1891","","","","","","0.712","","","","has coordinates,has disorder","232183","2020-10-21","18:00:00",""
"4347143","40.554","0.004","52.19","0.006","17.1744","0.0019","90","","108.378","0.001","90","","34496","6","173","2","173","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C336 H874 Cl98 Mn70 O360 -","- C204 H334 Cl36 Mn70 O260 -","- C408 H668 Cl72 Mn140 O520 -","2","0.25","","Vinslava, Alina; Tasiopoulos, Anastasios J.; Wernsdorfer, Wolfgang; Abboud, Khalil A.; Christou, George","Molecules at the Quantum-Classical Nanoparticle Interface: Giant Mn70 Single-Molecule Magnets of ∼4 nm Diameter.","Inorganic chemistry","2016","55","7","3419","3430","10.1021/acs.inorgchem.5b02790","","","0.71073","MoKα","","0.11","0.0618","","","0.1722","0.1826","","","","","","0.885","","","","has coordinates,has disorder","232183","2020-10-21","18:00:00",""
"4347144","37.436","0.005","15.966","0.002","25.505","0.004","90","","132.182","0.002","90","","11296","3","185","2","185","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C30 H78 Cl Dy Li N3 O3 Si6 -","- C30 H78 Cl Dy Li N3 O3 Si6 -","- C240 H624 Cl8 Dy8 Li8 N24 O24 Si48 -","8","1","","Zhang, Peng; Jung, Julie; Zhang, Li; Tang, Jinkui; Le Guennic, Boris","Elucidating the Magnetic Anisotropy and Relaxation Dynamics of Low-Coordinate Lanthanide Compounds.","Inorganic chemistry","2016","55","4","1905","1911","10.1021/acs.inorgchem.5b02792","","","0.71073","MoKα","","0.1307","0.0652","","","0.1984","0.2494","","","","","","0.96","","","","has coordinates","232184","2020-10-21","18:00:00",""
"4347145","36.585","0.002","16.1129","0.0009","25.0947","0.0014","90","","131.621","0.001","90","","11058.6","1.1","185","2","185","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C30 H78 Cl Er Li N3 O3 Si6 -","- C30 H78 Cl Er Li N3 O3 Si6 -","- C240 H624 Cl8 Er8 Li8 N24 O24 Si48 -","8","1","","Zhang, Peng; Jung, Julie; Zhang, Li; Tang, Jinkui; Le Guennic, Boris","Elucidating the Magnetic Anisotropy and Relaxation Dynamics of Low-Coordinate Lanthanide Compounds.","Inorganic chemistry","2016","55","4","1905","1911","10.1021/acs.inorgchem.5b02792","","","0.71073","MoKα","","0.0785","0.0589","","","0.1926","0.2164","","","","","","1.085","","","","has coordinates","232184","2020-10-21","18:00:00",""
"4347146","26.3205","0.0009","12.2748","0.0003","19.6085","0.0007","90","","122.972","0.003","90","","5314.7","0.3","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C16.5 H17.5 Er N0.5 O9 S3 -","- C15 H13 Er O8 S3 -","- C120 H104 Er8 O64 S24 -","8","1","","Wang, Suna; Cao, Tingting; Yan, Hui; Li, Yunwu; Lu, Jing; Ma, Ranran; Li, Dacheng; Dou, Jianmin; Bai, Junfeng","Functionalization of Microporous Lanthanide-Based Metal-Organic Frameworks by Dicarboxylate Ligands with Methyl-Substituted Thieno[2,3-b]thiophene Groups: Sensing Activities and Magnetic Properties.","Inorganic chemistry","2016","55","11","5139","5151","10.1021/acs.inorgchem.5b02801","","","0.71073","MoKα","","0.0505","0.0385","","","0.0945","0.1009","","","","","","1.05","","","","has coordinates,has disorder","232185","2020-10-21","18:00:00",""
"4347147","26.578","0.003","12.4498","0.0009","19.9618","0.0018","90","","122.923","0.002","90","","5544.4","0.9","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C16.5 H17.5 Gd N0.5 O9 S3 -","- C15 H13 Gd O8 S3 -","- C120 H104 Gd8 O64 S24 -","8","1","","Wang, Suna; Cao, Tingting; Yan, Hui; Li, Yunwu; Lu, Jing; Ma, Ranran; Li, Dacheng; Dou, Jianmin; Bai, Junfeng","Functionalization of Microporous Lanthanide-Based Metal-Organic Frameworks by Dicarboxylate Ligands with Methyl-Substituted Thieno[2,3-b]thiophene Groups: Sensing Activities and Magnetic Properties.","Inorganic chemistry","2016","55","11","5139","5151","10.1021/acs.inorgchem.5b02801","","","0.71073","MoKα","","0.1034","0.0862","","","0.2413","0.2527","","","","","","1.101","","","","has coordinates,has disorder","232186","2020-10-21","18:00:00",""
"4347148","25.935","0.003","12.3434","0.0004","22.869","0.002","90","","133.605","0.018","90","","5301.2","1.8","124","3","124","3","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C20 H24 N O9 S3 Tb -","- C20 H24 N O9 S3 Tb -","- C160 H192 N8 O72 S24 Tb8 -","8","1","","Wang, Suna; Cao, Tingting; Yan, Hui; Li, Yunwu; Lu, Jing; Ma, Ranran; Li, Dacheng; Dou, Jianmin; Bai, Junfeng","Functionalization of Microporous Lanthanide-Based Metal-Organic Frameworks by Dicarboxylate Ligands with Methyl-Substituted Thieno[2,3-b]thiophene Groups: Sensing Activities and Magnetic Properties.","Inorganic chemistry","2016","55","11","5139","5151","10.1021/acs.inorgchem.5b02801","","","1.54184","CuKα","","0.0696","0.0542","","","0.132","0.1455","","","","","","1.056","","","","has coordinates,has disorder","232187","2020-10-21","18:00:00",""
"4347149","26.019","0.0013","12.3698","0.0004","19.5603","0.0011","90","","121.672","0.007","90","","5357.9","0.6","121.35","0.1","121.35","0.1","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C20 H24 Eu N O9 S3 -","- C20 H24 Eu N O9 S3 -","- C160 H192 Eu8 N8 O72 S24 -","8","1","","Wang, Suna; Cao, Tingting; Yan, Hui; Li, Yunwu; Lu, Jing; Ma, Ranran; Li, Dacheng; Dou, Jianmin; Bai, Junfeng","Functionalization of Microporous Lanthanide-Based Metal-Organic Frameworks by Dicarboxylate Ligands with Methyl-Substituted Thieno[2,3-b]thiophene Groups: Sensing Activities and Magnetic Properties.","Inorganic chemistry","2016","55","11","5139","5151","10.1021/acs.inorgchem.5b02801","","","1.54184","CuKα","","0.0751","0.0618","","","0.151","0.163","","","","","","1.019","","","","has coordinates,has disorder","232188","2020-10-21","18:00:00",""
"4347150","26.333","0.003","12.276","0.0009","19.5387","0.0019","90","","122.809","0.009","90","","5308.6","1","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C16.5 H17.5 Dy N0.5 O9 S3 -","- C15 H13 Dy O8 S3 -","- C120 H104 Dy8 O64 S24 -","8","1","","Wang, Suna; Cao, Tingting; Yan, Hui; Li, Yunwu; Lu, Jing; Ma, Ranran; Li, Dacheng; Dou, Jianmin; Bai, Junfeng","Functionalization of Microporous Lanthanide-Based Metal-Organic Frameworks by Dicarboxylate Ligands with Methyl-Substituted Thieno[2,3-b]thiophene Groups: Sensing Activities and Magnetic Properties.","Inorganic chemistry","2016","55","11","5139","5151","10.1021/acs.inorgchem.5b02801","","","0.71073","MoKα","","0.1298","0.1066","","","0.2831","0.3148","","","","","","1.137","","","","has coordinates,has disorder","232189","2020-10-21","18:00:00",""
"4347151","13.1603","0.0002","33.4072","0.0007","42.253","0.0007","90","","98.111","0.002","90","","18390.7","0.6","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C67.5 H56 Er4 N2.5 O28 S12 -","- C66 H34 Er4 N2 O26 S12 -","- C528 H272 Er32 N16 O208 S96 -","8","1","","Wang, Suna; Cao, Tingting; Yan, Hui; Li, Yunwu; Lu, Jing; Ma, Ranran; Li, Dacheng; Dou, Jianmin; Bai, Junfeng","Functionalization of Microporous Lanthanide-Based Metal-Organic Frameworks by Dicarboxylate Ligands with Methyl-Substituted Thieno[2,3-b]thiophene Groups: Sensing Activities and Magnetic Properties.","Inorganic chemistry","2016","55","11","5139","5151","10.1021/acs.inorgchem.5b02801","","","0.71073","MoKα","","0.0609","0.0448","","","0.1039","0.1119","","","","","","1.039","","","","has coordinates,has disorder","232190","2020-10-21","18:00:00",""
"4347152","8.062","0.0002","14.5888","0.0003","9.274","0.0007","90","","100.895","0.007","90","","1071.1","0.09","93","2","93","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C10 H10 Ir N O3 -","- C10 H10 Ir N O3 -","- C40 H40 Ir4 N4 O12 -","4","1","","Huang, Daria L.; Beltrán-Suito, Rodrigo; Thomsen, Julianne M.; Hashmi, Sara M.; Materna, Kelly L.; Sheehan, Stafford W.; Mercado, Brandon Q.; Brudvig, Gary W.; Crabtree, Robert H.","New Ir Bis-Carbonyl Precursor for Water Oxidation Catalysis.","Inorganic chemistry","2016","55","5","2427","2435","10.1021/acs.inorgchem.5b02809","","","1.54187","CuKα","","0.0752","0.0686","","","0.1927","0.2066","","","","","","1.148","","","","has coordinates","232191","2020-10-21","18:00:00",""
"4347153","8.222","0.0002","8.8397","0.0003","9.5097","0.0007","97.7","0.007","108.239","0.008","90.64","0.006","649.49","0.06","93","2","93","2","","","","","","","","5","P -1","-P 1","2","","","","- C12 H15 Ir N O4 -","- C12 H15 Ir N O4 -","- C24 H30 Ir2 N2 O8 -","2","1","","Huang, Daria L.; Beltrán-Suito, Rodrigo; Thomsen, Julianne M.; Hashmi, Sara M.; Materna, Kelly L.; Sheehan, Stafford W.; Mercado, Brandon Q.; Brudvig, Gary W.; Crabtree, Robert H.","New Ir Bis-Carbonyl Precursor for Water Oxidation Catalysis.","Inorganic chemistry","2016","55","5","2427","2435","10.1021/acs.inorgchem.5b02809","","","0.71075","MoKα","","0.0135","0.013","","","0.031","0.0312","","","","","","1.02","","","","has coordinates","232192","2020-10-21","18:00:00",""
"4347154","7.6844","0.0005","8.7792","0.0006","14.3101","0.001","90","","100.349","0.007","90","","949.7","0.11","93","2","93","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C16 H20 I2 Ir N2 O2 -","- C16 H20 I2 Ir N2 O2 -","- C32 H40 I4 Ir2 N4 O4 -","2","0.5","","Huang, Daria L.; Beltrán-Suito, Rodrigo; Thomsen, Julianne M.; Hashmi, Sara M.; Materna, Kelly L.; Sheehan, Stafford W.; Mercado, Brandon Q.; Brudvig, Gary W.; Crabtree, Robert H.","New Ir Bis-Carbonyl Precursor for Water Oxidation Catalysis.","Inorganic chemistry","2016","55","5","2427","2435","10.1021/acs.inorgchem.5b02809","","","0.71075","MoKα","","0.0378","0.0321","","","0.0615","0.0634","","","","","","1.085","","","","has coordinates","232193","2020-10-21","18:00:00",""
"4347155","14.5029","0.001","16.15","0.0011","22.0822","0.0015","90","","93.455","0.001","90","","5162.7","0.6","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C57 H68 Cu P3 S Si -","- C57 H68 Cu P3 S Si -","- C228 H272 Cu4 P12 S4 Si4 -","4","1","","Ferrara, Skylar J.; Wang, Bo; Haas, Elaine; Wright LeBlanc, Karry; Mague, Joel T.; Donahue, James P.","Synthesis and Structures of [LCu(I)(SSi(i)Pr3)] (L = triphos, carbene) and Related Compounds.","Inorganic chemistry","2016","55","18","9173","9177","10.1021/acs.inorgchem.5b02811","","","0.71073","MoKα","","0.0391","0.0321","","","0.087","0.0923","","","","","","1.01","","","","has coordinates","232194","2020-10-21","18:00:00",""
"4347156","9.9391","0.0013","17.044","0.002","12.5225","0.0016","90","","111.329","0.002","90","","1976","0.4","150","2","150","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C43 H42 Cu O P3 S2 -","- C43 H42 Cu O P3 S2 -","- C86 H84 Cu2 O2 P6 S4 -","2","1","","Ferrara, Skylar J.; Wang, Bo; Haas, Elaine; Wright LeBlanc, Karry; Mague, Joel T.; Donahue, James P.","Synthesis and Structures of [LCu(I)(SSi(i)Pr3)] (L = triphos, carbene) and Related Compounds.","Inorganic chemistry","2016","55","18","9173","9177","10.1021/acs.inorgchem.5b02811","","","0.71073","MoKα","","0.0674","0.0514","","","0.095","0.1054","","","","","","1.046","","","","has coordinates","232194","2020-10-21","18:00:00",""
"4347157","19.4065","0.0018","10.8938","0.001","15.2754","0.0014","90","","104.834","0.001","90","","3121.8","0.5","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C30 H45 Cu N2 S Si -","- C30 H45 Cu N2 S Si -","- C120 H180 Cu4 N8 S4 Si4 -","4","1","","Ferrara, Skylar J.; Wang, Bo; Haas, Elaine; Wright LeBlanc, Karry; Mague, Joel T.; Donahue, James P.","Synthesis and Structures of [LCu(I)(SSi(i)Pr3)] (L = triphos, carbene) and Related Compounds.","Inorganic chemistry","2016","55","18","9173","9177","10.1021/acs.inorgchem.5b02811","","","0.71073","MoKα","","0.0372","0.0314","","","0.0823","0.0884","","","","","","1.048","","","","has coordinates","232194","2020-10-21","18:00:00",""
"4347158","8.8709","0.0007","13.4554","0.001","19.1905","0.0015","90","","90","","90","","2290.6","0.3","150","2","150","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C23 H27 Cu N2 O S -","- C23 H27 Cu N2 O S -","- C92 H108 Cu4 N8 O4 S4 -","4","1","","Ferrara, Skylar J.; Wang, Bo; Haas, Elaine; Wright LeBlanc, Karry; Mague, Joel T.; Donahue, James P.","Synthesis and Structures of [LCu(I)(SSi(i)Pr3)] (L = triphos, carbene) and Related Compounds.","Inorganic chemistry","2016","55","18","9173","9177","10.1021/acs.inorgchem.5b02811","","","0.71073","MoKα","","0.0388","0.034","","","0.0859","0.0894","","","","","","1.053","","","","has coordinates","232194","2020-10-21","18:00:00",""
"4347159","8.6049","0.0005","16.4121","0.001","18.7144","0.0014","90","","93.721","0.006","90","","2637.4","0.3","200","2","200","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C25 H27 Cl3 N3 Ta -","- C25 H27 Cl3 N3 Ta -","- C100 H108 Cl12 N12 Ta4 -","4","1","","Gómez, Manuel; Hernández-Prieto, Cristina; Martín, Avelino; Mena, Miguel; Santamaría, Cristina","Systematic Approach for the Construction of Niobium and Tantalum Sulfide Clusters.","Inorganic chemistry","2016","55","8","3815","3821","10.1021/acs.inorgchem.5b02816","","x-ray","0.71073","MoKα","","0.082","0.0465","","","0.0734","0.0843","","","","","","1.12","","","","has coordinates,has disorder","232195","2020-10-21","18:00:00",""
"4347160","44.196","0.002","12.09","0.004","32.329","0.008","90","","133.014","0.01","90","","12631","6","200","2","200","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C51 H71 Cl4 N8 Nb4 S4 -","- C51 H71 Cl4 N8 Nb4 S4 -","- C408 H568 Cl32 N64 Nb32 S32 -","8","1","","Gómez, Manuel; Hernández-Prieto, Cristina; Martín, Avelino; Mena, Miguel; Santamaría, Cristina","Systematic Approach for the Construction of Niobium and Tantalum Sulfide Clusters.","Inorganic chemistry","2016","55","8","3815","3821","10.1021/acs.inorgchem.5b02816","","x-ray","0.71073","MoKα","","0.15","0.0624","","","0.0993","0.1245","","","","","","1.094","","","","has coordinates","232195","2020-10-21","18:00:00",""
"4347161","36.9399","0.0005","36.9399","0.0005","13.2662","0.0004","90","","90","","120","","15677.2","0.6","200","2","200","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C36 H56 Cl4 N8 Nb4 S4 -","- C36 H56 Cl4 N8 Nb4 S4 -","- C324 H504 Cl36 N72 Nb36 S36 -","9","0.5","","Gómez, Manuel; Hernández-Prieto, Cristina; Martín, Avelino; Mena, Miguel; Santamaría, Cristina","Systematic Approach for the Construction of Niobium and Tantalum Sulfide Clusters.","Inorganic chemistry","2016","55","8","3815","3821","10.1021/acs.inorgchem.5b02816","","x-ray","0.71073","MoKα","","0.1122","0.0586","","","0.1417","0.1718","","","","","","1.039","","","","has coordinates","232195","2020-10-21","18:00:00",""
"4347162","17.542","0.004","17.542","0.003","23.549","0.003","90","","90","","90","","7247","2","200","2","200","2","","","","","","","","6","I 41/a :2","-I 4ad","88","","","","- C36 H56 Cl4 N8 S4 Ta4 -","- C36 H56 Cl4 N8 S4 Ta4 -","- C144 H224 Cl16 N32 S16 Ta16 -","4","0.25","","Gómez, Manuel; Hernández-Prieto, Cristina; Martín, Avelino; Mena, Miguel; Santamaría, Cristina","Systematic Approach for the Construction of Niobium and Tantalum Sulfide Clusters.","Inorganic chemistry","2016","55","8","3815","3821","10.1021/acs.inorgchem.5b02816","","x-ray","0.71073","MoKα","","0.0818","0.0458","","","0.0965","0.1306","","","","","","1.167","","","","has coordinates","232195","2020-10-21","18:00:00",""
"4347163","46.828","0.008","46.828","0.008","19.36","0.004","90","","90","","120","","36766","12","200","2","200","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C52 H56 Cl4 N8 Nb4 S4 -","- C52 H56 Cl4 N8 Nb4 S4 -","- C936 H1008 Cl72 N144 Nb72 S72 -","18","1","","Gómez, Manuel; Hernández-Prieto, Cristina; Martín, Avelino; Mena, Miguel; Santamaría, Cristina","Systematic Approach for the Construction of Niobium and Tantalum Sulfide Clusters.","Inorganic chemistry","2016","55","8","3815","3821","10.1021/acs.inorgchem.5b02816","","x-ray","0.71073","MoKα","","0.1877","0.0841","","","0.2226","0.2855","","","","","","0.999","","","","has coordinates","232195","2020-10-21","18:00:00",""
"4347164","17.314","0.002","17.829","0.0018","18.0574","0.0018","96.721","0.008","116.837","0.008","114.456","0.008","4198.6","1","200","2","200","2","","","","","","","","6","P -1","-P 1","2","","","","- C80 H88 Cl4 N8 S4 Ta4 -","- C80 H88 Cl4 N8 S4 Ta4 -","- C160 H176 Cl8 N16 S8 Ta8 -","2","1","","Gómez, Manuel; Hernández-Prieto, Cristina; Martín, Avelino; Mena, Miguel; Santamaría, Cristina","Systematic Approach for the Construction of Niobium and Tantalum Sulfide Clusters.","Inorganic chemistry","2016","55","8","3815","3821","10.1021/acs.inorgchem.5b02816","","x-ray","0.71073","MoKα","","0.1379","0.0791","","","0.1564","0.1868","","","","","","1.145","","","","has coordinates","232195","2020-10-21","18:00:00",""
"4347165","23.703","0.003","20.95","0.004","16.548","0.003","90","","134.049","0.008","90","","5906.2","1.9","200","2","200","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C36 H56 N4 Nb4 S4 -","- C36 H56 N4 Nb4 S4 -","- C144 H224 N16 Nb16 S16 -","4","0.5","","Gómez, Manuel; Hernández-Prieto, Cristina; Martín, Avelino; Mena, Miguel; Santamaría, Cristina","Systematic Approach for the Construction of Niobium and Tantalum Sulfide Clusters.","Inorganic chemistry","2016","55","8","3815","3821","10.1021/acs.inorgchem.5b02816","","x-ray","0.71073","MoKα","","0.1361","0.0989","","","0.2168","0.2448","","","","","","1.106","","","","has coordinates","232195","2020-10-21","18:00:00",""
"4347166","15.814","0.003","17.643","0.003","23.43","0.002","90","","102.631","0.009","90","","6378.9","1.7","200","2","200","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C41 H61 Cl N6 Nb4 S4 -","- C41 H61 Cl N6 Nb4 S4 -","- C164 H244 Cl4 N24 Nb16 S16 -","4","0.5","","Gómez, Manuel; Hernández-Prieto, Cristina; Martín, Avelino; Mena, Miguel; Santamaría, Cristina","Systematic Approach for the Construction of Niobium and Tantalum Sulfide Clusters.","Inorganic chemistry","2016","55","8","3815","3821","10.1021/acs.inorgchem.5b02816","","x-ray","0.71073","MoKα","","0.1037","0.0658","","","0.1785","0.205","","","","","","1.081","","","","has coordinates,has disorder","232195","2020-10-21","18:00:00",""
"4347167","15.6643","0.0016","17.6372","0.0007","23.3003","0.0017","90","","102.638","0.006","90","","6281.3","0.8","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C41 H61 Cl N6 S4 Ta4 -","- C41 H61 Cl N6 S4 Ta4 -","- C164 H244 Cl4 N24 S16 Ta16 -","4","0.5","","Gómez, Manuel; Hernández-Prieto, Cristina; Martín, Avelino; Mena, Miguel; Santamaría, Cristina","Systematic Approach for the Construction of Niobium and Tantalum Sulfide Clusters.","Inorganic chemistry","2016","55","8","3815","3821","10.1021/acs.inorgchem.5b02816","","x-ray","0.71073","MoKα","","0.1094","0.0646","","","0.1433","0.1661","","","","","","1.064","","","","has coordinates,has disorder","232195","2020-10-21","18:00:00",""
"4347168","10.2877","0.0007","19.4374","0.001","23.946","0.0011","90","","95.177","0.005","90","","4768.9","0.5","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C81 H8 Cl10 -","- C81 H8 Cl10 -","- C324 H32 Cl40 -","4","1","","Gao, Cong-Li; Abella, Laura; Tan, Yuan-Zhi; Wu, Xin-Zhou; Rodríguez-Fortea, Antonio; Poblet, Josep M.; Xie, Su-Yuan; Huang, Rong-Bin; Zheng, Lan-Sun","Capturing the Fused-Pentagon C74 by Stepwise Chlorination.","Inorganic chemistry","2016","55","14","6861","6865","10.1021/acs.inorgchem.5b02824","","x-ray","1.54184","CuKα","","0.0804","0.0706","","","0.1905","0.2017","","","","","","1.024","","","","has coordinates","232196","2020-10-21","18:00:00",""
"4347169","9.5464","0.0005","25.5845","0.0012","18.1421","0.0009","90","","90.9118","0.0009","90","","4430.5","0.4","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","(mu2-alpha,alpha'-bis((5,7-Dimethyl-1,4,8,11-tetra-azacyclotetradecan-6-yl) -o-xylene))-di-nickel(ii) cyanate clathrate dicyanate perchlorate 2.5 hydrate","","","- C35 H67 Cl N11 Ni2 O9.5 -","- C35 H62 Cl N11 Ni2 O9.5 -","- C140 H248 Cl4 N44 Ni8 O38 -","4","1","","Boiocchi, Massimo; Fabbrizzi, Luigi; Fusco, Nadia; Invernici, Michele; Licchelli, Maurizio; Poggi, Antonio","Anion Binding by Dimetallic Nickel(II) and Nickel(III) Complexes of a Face-to-Face Bicyclam: Looking for a Bimacrocyclic Effect.","Inorganic chemistry","2016","55","6","2946","2959","10.1021/acs.inorgchem.5b02826","","","0.71073","MoKα","","0.0722","0.0507","","","0.1314","0.1483","","","","","","1.016","","","","has coordinates,has disorder","232198","2020-10-21","18:00:00",""
"4347170","15.27","0.002","28.15","0.004","15.629","0.002","90","","105.604","0.002","90","","6470.5","1.5","150","2","150","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C120 H150 Mg N8 O39 -","- C120 H150 Mg N8 O39 -","- C240 H300 Mg2 N16 O78 -","2","1","","Safonova, Evgeniya A.; Martynov, Alexander G.; Nefedov, Sergey E.; Kirakosyan, Gayane A.; Gorbunova, Yulia G.; Tsivadze, Aslan Yu","A Molecular Chameleon: Reversible pH- and Cation-Induced Control of the Optical Properties of Phthalocyanine-Based Complexes in the Visible and Near-Infrared Spectral Ranges.","Inorganic chemistry","2016","55","5","2450","2459","10.1021/acs.inorgchem.5b02831","","","0.71073","MoKα","","0.2116","0.0877","","","0.2206","0.2888","","","","","","1.003","","","","has coordinates,has disorder","232200","2020-10-21","18:00:00",""
"4347171","15.3014","0.0019","27.68","0.003","16.636","0.002","90","","105.048","0.002","90","","6804.4","1.4","150","2","150","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C120 H146 N8 O37 Zn -","- C120 H146 N8 O37 Zn -","- C240 H292 N16 O74 Zn2 -","2","1","","Safonova, Evgeniya A.; Martynov, Alexander G.; Nefedov, Sergey E.; Kirakosyan, Gayane A.; Gorbunova, Yulia G.; Tsivadze, Aslan Yu","A Molecular Chameleon: Reversible pH- and Cation-Induced Control of the Optical Properties of Phthalocyanine-Based Complexes in the Visible and Near-Infrared Spectral Ranges.","Inorganic chemistry","2016","55","5","2450","2459","10.1021/acs.inorgchem.5b02831","","","0.71073","MoKα","","0.1802","0.0839","","","0.2112","0.2674","","","","","","0.979","","","","has coordinates","232201","2020-10-21","18:00:00",""
"4347172","18.1274","0.001","15.3414","0.0008","20.7084","0.0011","90","","90.961","0.001","90","","5758.2","0.5","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C30 H36 N2 O9 -","- C30 H36 N2 O9 -","- C240 H288 N16 O72 -","8","2","","Safonova, Evgeniya A.; Martynov, Alexander G.; Nefedov, Sergey E.; Kirakosyan, Gayane A.; Gorbunova, Yulia G.; Tsivadze, Aslan Yu","A Molecular Chameleon: Reversible pH- and Cation-Induced Control of the Optical Properties of Phthalocyanine-Based Complexes in the Visible and Near-Infrared Spectral Ranges.","Inorganic chemistry","2016","55","5","2450","2459","10.1021/acs.inorgchem.5b02831","","","0.71073","MoKα","","0.0862","0.0612","","","0.1568","0.1768","","","","","","1.023","","","","has coordinates,has disorder","232202","2020-10-21","18:00:00",""
"4347173","17.2405","0.0006","13.6787","0.0005","29.3293","0.0011","90","","93.462","0.001","90","","6904","0.4","298","2","298","2","","","","","","","","7","P 1 2/n 1","-P 2yac","13","","","","- C37 H29.25 F6 N6 O1.13 P Ru -","- C37 H29 F6 N6 O1.0645 P Ru -","- C296 H232 F48 N48 O8.516 P8 Ru8 -","8","2","","Ngo, Ken T.; Lee, Nicholas A.; Pinnace, Sashari D.; Szalda, David J.; Weber, Ralph T.; Rochford, Jonathan","Probing the Noninnocent π-Bonding Influence of N-Carboxyamidoquinolate Ligands on the Light Harvesting and Redox Properties of Ruthenium Polypyridyl Complexes.","Inorganic chemistry","2016","55","5","2460","2472","10.1021/acs.inorgchem.5b02834","","","0.71073","MoKα","","0.0771","0.0442","","","0.0981","0.1144","","","","","","1.038","","","","has coordinates","232203","2020-10-21","18:00:00",""
"4347174","11.5403","0.0002","13.3443","0.0002","18.4371","0.0013","87.308","0.006","88.635","0.006","86.24","0.006","2829.4","0.2","93","2","93","2","","","","","","","","5","P -1","-P 1","2","","","","- C58 H82 Fe2 N6 Na2 -","- C58 H82 Fe2 N6 Na2 -","- C116 H164 Fe4 N12 Na4 -","2","1","","McWilliams, Sean F.; Rodgers, Kenton R.; Lukat-Rodgers, Gudrun; Mercado, Brandon Q.; Grubel, Katarzyna; Holland, Patrick L.","Alkali Metal Variation and Twisting of the FeNNFe Core in Bridging Diiron Dinitrogen Complexes.","Inorganic chemistry","2016","55","6","2960","2968","10.1021/acs.inorgchem.5b02841","","","1.54187","CuKα","","0.0703","0.0605","","","0.1502","0.1603","","","","","","1.153","","","","has coordinates","232204","2020-10-21","18:00:00",""
"4347175","15.9755","0.0007","18.754","0.0008","21.0976","0.0015","90","","90","","90","","6320.9","0.6","161","2","161","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C62 H92 Fe2 N6 O Rb2 -","- C62 H92 Fe2 N6 O Rb2 -","- C248 H368 Fe8 N24 O4 Rb8 -","4","1","","McWilliams, Sean F.; Rodgers, Kenton R.; Lukat-Rodgers, Gudrun; Mercado, Brandon Q.; Grubel, Katarzyna; Holland, Patrick L.","Alkali Metal Variation and Twisting of the FeNNFe Core in Bridging Diiron Dinitrogen Complexes.","Inorganic chemistry","2016","55","6","2960","2968","10.1021/acs.inorgchem.5b02841","","","0.71075","MoKα","","0.1231","0.0544","","","0.1053","0.1371","","","","","","1.008","","","","has coordinates","232204","2020-10-21","18:00:00",""
"4347176","16.4609","0.0003","16.4609","0.0003","10.6149","0.0008","90","","90","","90","","2876.2","0.2","93","2","93","2","","","","","","","","5","P -4","P -4","81","","","","- C58 H82 Cs2 Fe2 N6 -","- C58 H82 Cs2 Fe2 N6 -","- C116 H164 Cs4 Fe4 N12 -","2","0.5","","McWilliams, Sean F.; Rodgers, Kenton R.; Lukat-Rodgers, Gudrun; Mercado, Brandon Q.; Grubel, Katarzyna; Holland, Patrick L.","Alkali Metal Variation and Twisting of the FeNNFe Core in Bridging Diiron Dinitrogen Complexes.","Inorganic chemistry","2016","55","6","2960","2968","10.1021/acs.inorgchem.5b02841","","","1.54178","CuKα","","0.0779","0.0658","","","0.1646","0.1798","","","","","","1.07","","","","has coordinates,has disorder","232204","2020-10-21","18:00:00",""
"4347177","13.0407","0.0007","14.9265","0.0007","15.1771","0.0011","81.766","0.005","81.724","0.005","77.792","0.004","2837.9","0.3","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C55 H40.5 F12 N13.5 O0 P2 Ru -","- C55 H40.5 F12 N13.5 P2 Ru -","- C110 H81 F24 N27 P4 Ru2 -","2","1","","Elliott, Anastasia B. S.; Lewis, James E. M.; van der Salm, Holly; McAdam, C. John; Crowley, James D.; Gordon, Keith C.","Luminescent Cages: Pendant Emissive Units on [Pd2L4](4+) ""Click"" Cages.","Inorganic chemistry","2016","55","7","3440","3447","10.1021/acs.inorgchem.5b02843","","","1.5418","CuKα","","0.1215","0.0937","","","0.2421","0.2828","","","","","","1.037","","","","has coordinates","232205","2020-10-21","18:00:00",""
"4347178","16.3158","0.0005","21.4147","0.0005","31.441","0.0008","90","","93.394","0.003","90","","10966.2","0.5","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C51 H39 F12 N13 P2 Ru -","- C51 H39 F12 N13 P2 Ru -","- C408 H312 F96 N104 P16 Ru8 -","8","1","","Elliott, Anastasia B. S.; Lewis, James E. M.; van der Salm, Holly; McAdam, C. John; Crowley, James D.; Gordon, Keith C.","Luminescent Cages: Pendant Emissive Units on [Pd2L4](4+) ""Click"" Cages.","Inorganic chemistry","2016","55","7","3440","3447","10.1021/acs.inorgchem.5b02843","","","1.5418","CuKα","","0.0963","0.0799","","","0.2242","0.2428","","","","","","1.062","","","","has coordinates,has disorder","232205","2020-10-21","18:00:00",""
"4347179","15.8987","0.0002","27.4992","0.0004","14.3082","0.0002","90","","108.921","0.0018","90","","5917.55","0.15","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C44 H42 Fe2 N10 S4 -","- C44 H42 Fe2 N10 S4 -","- C176 H168 Fe8 N40 S16 -","4","0.5","","Hogue, Ross W.; Feltham, Humphrey L. C.; Miller, Reece G.; Brooker, Sally","Spin Crossover in Dinuclear N4S2 Iron(II) Thioether-Triazole Complexes: Access to [HS-HS], [HS-LS], and [LS-LS] States.","Inorganic chemistry","2016","55","9","4152","4165","10.1021/acs.inorgchem.5b02851","","","0.71073","MoKα","","0.0528","0.0467","","","0.1289","0.1331","","","","","","1.048","","","","has coordinates","232206","2020-10-21","18:00:00",""
"4347180","9.985","0.0002","11.9087","0.0003","15.1801","0.0004","104.568","0.002","97.7804","0.0019","108.767","0.002","1607.39","0.08","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C53 H58.5 B4 F16 Fe2 N12.5 O1.5 S4 -","- C53 H58.5 B4 F16 Fe2 N12.5 O1.5 S4 -","- C53 H58.5 B4 F16 Fe2 N12.5 O1.5 S4 -","1","0.5","","Hogue, Ross W.; Feltham, Humphrey L. C.; Miller, Reece G.; Brooker, Sally","Spin Crossover in Dinuclear N4S2 Iron(II) Thioether-Triazole Complexes: Access to [HS-HS], [HS-LS], and [LS-LS] States.","Inorganic chemistry","2016","55","9","4152","4165","10.1021/acs.inorgchem.5b02851","","","1.54184","CuKα","","0.1219","0.1068","","","0.2665","0.275","","","","","","1.058","","","","has coordinates,has disorder","232206","2020-10-21","18:00:00",""
"4347181","16.0419","0.0006","27.6191","0.0011","14.6634","0.0006","90","","110.472","0.004","90","","6086.5","0.4","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C46 H46 Fe2 N10 S4 -","- C46 H46 Fe2 N10 S4 -","- C184 H184 Fe8 N40 S16 -","4","0.5","","Hogue, Ross W.; Feltham, Humphrey L. C.; Miller, Reece G.; Brooker, Sally","Spin Crossover in Dinuclear N4S2 Iron(II) Thioether-Triazole Complexes: Access to [HS-HS], [HS-LS], and [LS-LS] States.","Inorganic chemistry","2016","55","9","4152","4165","10.1021/acs.inorgchem.5b02851","","","0.71073","MoKα","","0.0967","0.0765","","","0.1898","0.2004","","","","","","1.035","","","","has coordinates","232206","2020-10-21","18:00:00",""
"4347182","10.6772","0.0016","24.8009","0.0012","16.296","0.002","90","","134.03","0.03","90","","3102.6","1.7","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C48 H62 B4 F16 Fe2 N14 S4 -","- C48 H62 B4 F16 Fe2 N14 S4 -","- C96 H124 B8 F32 Fe4 N28 S8 -","2","0.5","","Hogue, Ross W.; Feltham, Humphrey L. C.; Miller, Reece G.; Brooker, Sally","Spin Crossover in Dinuclear N4S2 Iron(II) Thioether-Triazole Complexes: Access to [HS-HS], [HS-LS], and [LS-LS] States.","Inorganic chemistry","2016","55","9","4152","4165","10.1021/acs.inorgchem.5b02851","","","1.54184","CuKα","","0.1051","0.0731","","","0.175","0.1979","","","","","","1.001","","","","has coordinates,has disorder","232206","2020-10-21","18:00:00",""
"4347183","17.308","0.0008","11.588","0.0005","17.456","0.001","90","","97.762","0.0017","90","","3469","0.3","200","2","200","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","Moris407","","","- C34 H48 Cl2 Li2 N4 O2 U -","- C34 H48 Cl2 Li2 N4 O2 U -","- C136 H192 Cl8 Li8 N16 O8 U4 -","4","1","","Batrice, Rami J.; Fridman, Natalia; Eisen, Moris S.","Synthesis of Coordinatively Unsaturated Tetravalent Actinide Complexes with η(5) Coordination of Pyrrole.","Inorganic chemistry","2016","55","6","2998","3006","10.1021/acs.inorgchem.5b02853","","","0.71073","MoKα","","0.0892","0.0598","","","0.1315","0.1458","","","","","","1.034","","","","has coordinates","232207","2020-10-21","18:00:00",""
"4347184","8.745","0.018","9.35","0.04","15.89","0.05","74.5","0.03","76.4","0.04","67.87","0.06","1147","7","200","2","200","2","","","","","","","","7","P -1","-P 1","2","Moris393 (Rami)","","","- C28 H40 Cl4 Li2 N2 O3 Th -","- C28 H40 Cl4 Li2 N2 O3 Th -","- C56 H80 Cl8 Li4 N4 O6 Th2 -","2","1","","Batrice, Rami J.; Fridman, Natalia; Eisen, Moris S.","Synthesis of Coordinatively Unsaturated Tetravalent Actinide Complexes with η(5) Coordination of Pyrrole.","Inorganic chemistry","2016","55","6","2998","3006","10.1021/acs.inorgchem.5b02853","","","0.71073","MoKα","","0.0798","0.0775","","","0.1931","0.195","","","","","","1.032","","","","has coordinates","232208","2020-10-21","18:00:00",""
"4347185","20.753","0.004","10.15","0.006","17.081","0.003","90","","98.18","0.013","90","","3561","2","200","2","200","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C34 H48 Cl2 Li2 N4 O2 Th -","- C34 H48 Cl2 Li2 N4 O2 Th -","- C136 H192 Cl8 Li8 N16 O8 Th4 -","4","0.5","","Batrice, Rami J.; Fridman, Natalia; Eisen, Moris S.","Synthesis of Coordinatively Unsaturated Tetravalent Actinide Complexes with η(5) Coordination of Pyrrole.","Inorganic chemistry","2016","55","6","2998","3006","10.1021/acs.inorgchem.5b02853","","","0.71073","MoKα","","0.032","0.0295","","","0.0733","0.0746","","","","","","1.094","","","","has coordinates","232209","2020-10-21","18:00:00",""
"4347186","10.26","0.0003","11.209","0.0003","17.849","0.0006","96.878","0.001","99.668","0.001","110.134","0.0016","1864.61","0.1","200","2","200","2","","","","","","","","7","P -1","-P 1","2","","","","- C31 H48 Cl4 Li2 N2 O3 U -","- C31 H48 Cl4 Li2 N2 O3 U -","- C62 H96 Cl8 Li4 N4 O6 U2 -","2","1","","Batrice, Rami J.; Fridman, Natalia; Eisen, Moris S.","Synthesis of Coordinatively Unsaturated Tetravalent Actinide Complexes with η(5) Coordination of Pyrrole.","Inorganic chemistry","2016","55","6","2998","3006","10.1021/acs.inorgchem.5b02853","","","0.71073","MoKα","","0.0721","0.0683","","","0.1843","0.1857","","","","","","1.222","","","","has coordinates","232210","2020-10-21","18:00:00",""
"4347187","14.778","0.003","10.573","0.002","17.125","0.004","90","","97.203","0.003","90","","2654.6","1","97","","97","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C54 H32 F16 N4 O8.2 Ru2 -","- C54 H26 F16 N4 O8.2 Ru2 -","- C108 H52 F32 N8 O16.4 Ru4 -","2","0.5","","Nakabayashi, Keita; Nishio, Masaki; Miyasaka, Hitoshi","Tuning of Stepwise Neutral-Ionic Transitions by Acceptor Site Doping in Alternating Donor/Acceptor Chains.","Inorganic chemistry","2016","55","5","2473","2480","10.1021/acs.inorgchem.5b02858","","","0.71075","MoKα","","","0.0348","","","","0.0839","","","","","","1.128","","","","has coordinates","232211","2020-10-21","18:00:00",""
"4347188","14.803","0.002","10.5598","0.0016","17.269","0.003","90","","96.7292","0.0018","90","","2680.8","0.7","97","","97","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C54 H32 F16 N4 O8.4 Ru2 -","- C54 H26 F16 N4 O8.4 Ru2 -","- C108 H52 F32 N8 O16.8 Ru4 -","2","0.5","","Nakabayashi, Keita; Nishio, Masaki; Miyasaka, Hitoshi","Tuning of Stepwise Neutral-Ionic Transitions by Acceptor Site Doping in Alternating Donor/Acceptor Chains.","Inorganic chemistry","2016","55","5","2473","2480","10.1021/acs.inorgchem.5b02858","","","0.71075","MoKα","","0.0314","0.0292","","","0.0694","0.0712","","","","","","1.054","","","","has coordinates","232212","2020-10-21","18:00:00",""
"4347189","14.757","0.004","10.557","0.003","17.121","0.004","90","","96.953","0.003","90","","2647.7","1.2","97","","97","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C54 H32 F16 N4 O8.1 Ru2 -","- C54 H26 F16 N4 O8.1 Ru2 -","- C108 H52 F32 N8 O16.2 Ru4 -","2","0.5","","Nakabayashi, Keita; Nishio, Masaki; Miyasaka, Hitoshi","Tuning of Stepwise Neutral-Ionic Transitions by Acceptor Site Doping in Alternating Donor/Acceptor Chains.","Inorganic chemistry","2016","55","5","2473","2480","10.1021/acs.inorgchem.5b02858","","","0.71075","MoKα","","","0.029","","","","0.0716","","","","","","1.065","","","","has coordinates","232213","2020-10-21","18:00:00",""
"4347190","10.636","0.004","10.845","0.005","15.399","0.006","88.253","0.017","70.49","0.013","88.656","0.017","1673.3","1.2","103","","103","","","","","","","","","6","P -1","-P 1","2","","","","- C70 H52 F16 N4 O10 Ru2 -","- C70 H52 F16 N4 O10 Ru2 -","- C70 H52 F16 N4 O10 Ru2 -","1","0.5","","Nakabayashi, Keita; Nishio, Masaki; Miyasaka, Hitoshi","Tuning of Stepwise Neutral-Ionic Transitions by Acceptor Site Doping in Alternating Donor/Acceptor Chains.","Inorganic chemistry","2016","55","5","2473","2480","10.1021/acs.inorgchem.5b02858","","","0.71075","MoKα","","0.1055","0.0655","","","0.1192","0.1385","","","","","","1.087","","","","has coordinates","232214","2020-10-21","18:00:00",""
"4347191","14.759","0.002","10.5572","0.0017","17.175","0.003","90","","96.876","0.002","90","","2656.9","0.7","97","","97","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C54 H32 F16 N4 O8.3 Ru2 -","- C54 H26 F16 N4 O8.3 Ru2 -","- C108 H52 F32 N8 O16.6 Ru4 -","2","0.5","","Nakabayashi, Keita; Nishio, Masaki; Miyasaka, Hitoshi","Tuning of Stepwise Neutral-Ionic Transitions by Acceptor Site Doping in Alternating Donor/Acceptor Chains.","Inorganic chemistry","2016","55","5","2473","2480","10.1021/acs.inorgchem.5b02858","","","0.71075","MoKα","","0.0421","0.0368","","","0.091","0.0954","","","","","","1.084","","","","has coordinates","232215","2020-10-21","18:00:00",""
"4347192","25.1459","0.0008","20.2059","0.0004","17.8455","0.0005","90","","112.22","0.002","90","","8393.9","0.4","133","2","133","2","","","","","","","","9","C 1 2/c 1","-C 2yc","15","","","","- C30 H37 Cl F12 N6 O5.5 P2 Ru2 S3 -","- C30 H37 Cl F12 N6 O5.5 P2 Ru2 S3 -","- C240 H296 Cl8 F96 N48 O44 P16 Ru16 S24 -","8","1","","Neudeck, Sven; Maji, Somnath; López, Isidoro; Dechert, Sebastian; Benet-Buchholz, Jordi; Llobet, Antoni; Meyer, Franc","Establishing the Family of Diruthenium Water Oxidation Catalysts Based on the Bis(bipyridyl)pyrazolate Ligand System.","Inorganic chemistry","2016","55","5","2508","2521","10.1021/acs.inorgchem.5b02869","","","0.71073","MoKα","","0.0614","0.0424","","","0.093","0.0991","","","","","","1.026","","","","has coordinates,has disorder","232216","2020-10-21","18:00:00",""
"4347193","14.123","0.0008","14.7595","0.0009","14.9169","0.0009","74.376","0.005","81.935","0.005","63.706","0.004","2683.9","0.3","133","2","133","2","","","","","","","","9","P -1","-P 1","2","","","","- C49 H48 Br Cl F12 N10 O3 P2 Ru2 -","- C49 H48 Br Cl F12 N10 O3 P2 Ru2 -","- C98 H96 Br2 Cl2 F24 N20 O6 P4 Ru4 -","2","1","","Neudeck, Sven; Maji, Somnath; López, Isidoro; Dechert, Sebastian; Benet-Buchholz, Jordi; Llobet, Antoni; Meyer, Franc","Establishing the Family of Diruthenium Water Oxidation Catalysts Based on the Bis(bipyridyl)pyrazolate Ligand System.","Inorganic chemistry","2016","55","5","2508","2521","10.1021/acs.inorgchem.5b02869","","","0.71073","MoKα","","0.0733","0.062","","","0.1527","0.1633","","","","","","1.078","","","","has coordinates,has disorder","232216","2020-10-21","18:00:00",""
"4347194","13.5233","0.0008","13.9267","0.0007","14.2648","0.0008","103.815","0.004","113.005","0.004","91.383","0.004","2380.5","0.2","133","2","133","2","","","","","","","","8","P -1","-P 1","2","","","","- C45 H37 Br F12 N10 O2 P2 Ru2 -","- C45 H37 Br F12 N10 O2 P2 Ru2 -","- C90 H74 Br2 F24 N20 O4 P4 Ru4 -","2","1","","Neudeck, Sven; Maji, Somnath; López, Isidoro; Dechert, Sebastian; Benet-Buchholz, Jordi; Llobet, Antoni; Meyer, Franc","Establishing the Family of Diruthenium Water Oxidation Catalysts Based on the Bis(bipyridyl)pyrazolate Ligand System.","Inorganic chemistry","2016","55","5","2508","2521","10.1021/acs.inorgchem.5b02869","","","0.71073","MoKα","","0.0814","0.0562","","","0.1267","0.1408","","","","","","1.037","","","","has coordinates","232216","2020-10-21","18:00:00",""
"4347195","23.0373","0.0009","17.3666","0.0007","25.5724","0.001","90","","115.005","0.002","90","","9272.1","0.7","100","2","100","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C43 H38 Cl F12 N10 O1.5 P2 Ru2 -","- C43 H38 Cl F12 N10 O1.5 P2 Ru2 -","- C344 H304 Cl8 F96 N80 O12 P16 Ru16 -","8","1","","Neudeck, Sven; Maji, Somnath; López, Isidoro; Dechert, Sebastian; Benet-Buchholz, Jordi; Llobet, Antoni; Meyer, Franc","Establishing the Family of Diruthenium Water Oxidation Catalysts Based on the Bis(bipyridyl)pyrazolate Ligand System.","Inorganic chemistry","2016","55","5","2508","2521","10.1021/acs.inorgchem.5b02869","","","0.71073","MoKα","","0.0834","0.0606","","","0.1536","0.1798","","","","","","1.073","","","","has coordinates,has disorder","232216","2020-10-21","18:00:00",""
"4347196","23.1051","0.0007","17.5255","0.0005","25.2904","0.0007","90","","114.872","0.002","90","","9291","0.5","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C45 H38 F12 N10 O2 P2 Ru2 -","- C45 H38 F12 N10 O2 P2 Ru2 -","- C360 H304 F96 N80 O16 P16 Ru16 -","8","2","","Neudeck, Sven; Maji, Somnath; López, Isidoro; Dechert, Sebastian; Benet-Buchholz, Jordi; Llobet, Antoni; Meyer, Franc","Establishing the Family of Diruthenium Water Oxidation Catalysts Based on the Bis(bipyridyl)pyrazolate Ligand System.","Inorganic chemistry","2016","55","5","2508","2521","10.1021/acs.inorgchem.5b02869","","","0.71073","MoKα","","0.1544","0.0723","","","0.1714","0.2205","","","","","","1.033","","","","has coordinates,has disorder","232216","2020-10-21","18:00:00",""
"4347197","22.872","0.0013","12.3439","0.0007","20.2201","0.0013","90","","99.156","0.002","90","","5636","0.6","100","2","100","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C49 H49 Cl5 F12 N10 O2 P2 Ru2 -","- C49 H49 Cl5 F12 N10 O2 P2 Ru2 -","- C196 H196 Cl20 F48 N40 O8 P8 Ru8 -","4","1","","Neudeck, Sven; Maji, Somnath; López, Isidoro; Dechert, Sebastian; Benet-Buchholz, Jordi; Llobet, Antoni; Meyer, Franc","Establishing the Family of Diruthenium Water Oxidation Catalysts Based on the Bis(bipyridyl)pyrazolate Ligand System.","Inorganic chemistry","2016","55","5","2508","2521","10.1021/acs.inorgchem.5b02869","","","0.71073","MoKα","","0.1254","0.0743","","","0.1976","0.2332","","","","","","1.047","","","","has coordinates,has disorder","232216","2020-10-21","18:00:00",""
"4347198","14.5081","0.0006","14.5081","0.0006","29.8275","0.0016","90","","90","","90","","6278.2","0.5","100","2","100","2","","","","","","","","7","P 43 21 2","P 4nw 2abw","96","","","","- C55 H63 F12 N14 O2.5 P2 Ru2 -","- C55 H63 F12 N14 O2.5 P2 Ru2 -","- C220 H252 F48 N56 O10 P8 Ru8 -","4","0.5","","Neudeck, Sven; Maji, Somnath; López, Isidoro; Dechert, Sebastian; Benet-Buchholz, Jordi; Llobet, Antoni; Meyer, Franc","Establishing the Family of Diruthenium Water Oxidation Catalysts Based on the Bis(bipyridyl)pyrazolate Ligand System.","Inorganic chemistry","2016","55","5","2508","2521","10.1021/acs.inorgchem.5b02869","","","0.71073","MoKα","","0.0944","0.0582","","","0.1181","0.1327","","","","","","1.079","","","","has coordinates,has disorder","232216","2020-10-21","18:00:00",""
"4347199","19.194","0.005","9.115","0.005","19.709","0.005","90","0.005","101.926","0.005","90","0.005","3374","2","103","2","103","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C38 H28 Cl3 Ir N4 O2 S -","- C38 H28 Cl3 Ir N4 O2 S -","- C152 H112 Cl12 Ir4 N16 O8 S4 -","4","1","","Kumar, Sarvendra; Hisamatsu, Yosuke; Tamaki, Yusuke; Ishitani, Osamu; Aoki, Shin","Design and Synthesis of Heteroleptic Cyclometalated Iridium(III) Complexes Containing Quinoline-Type Ligands that Exhibit Dual Phosphorescence.","Inorganic chemistry","2016","55","8","3829","3843","10.1021/acs.inorgchem.5b02872","","","0.71069","MoKα","","0.035","0.0283","","","0.0631","0.0656","","","","","","1.043","","","","has coordinates","232218","2020-10-21","18:00:00",""
"4347200","11.477","0.005","13.075","0.005","13.777","0.005","73.813","0.005","71.921","0.005","66.201","0.005","1770","1.2","103","2","103","2","","","","","","","","8","P -1","-P 1","2","","","","- C38 H24 Cl3 F4 Ir N4 O2 S -","- C38 H24 Cl3 F4 Ir N4 O2 S -","- C76 H48 Cl6 F8 Ir2 N8 O4 S2 -","2","1","","Kumar, Sarvendra; Hisamatsu, Yosuke; Tamaki, Yusuke; Ishitani, Osamu; Aoki, Shin","Design and Synthesis of Heteroleptic Cyclometalated Iridium(III) Complexes Containing Quinoline-Type Ligands that Exhibit Dual Phosphorescence.","Inorganic chemistry","2016","55","8","3829","3843","10.1021/acs.inorgchem.5b02872","","","0.71069","MoKα","","0.0499","0.0435","","","0.1096","0.1151","","","","","","1.038","","","","has coordinates","232218","2020-10-21","18:00:00",""
"4347201","10.355","0.005","11.129","0.005","16.199","0.005","85.02","0.005","77.98","0.005","84.218","0.005","1812.4","1.3","103","2","103","2","","","","","","","","7","P -1","-P 1","2","","","","- C38 H25 F4 Ir N4 O3 S -","- C38 H25 F4 Ir N4 O3 S -","- C76 H50 F8 Ir2 N8 O6 S2 -","2","1","","Kumar, Sarvendra; Hisamatsu, Yosuke; Tamaki, Yusuke; Ishitani, Osamu; Aoki, Shin","Design and Synthesis of Heteroleptic Cyclometalated Iridium(III) Complexes Containing Quinoline-Type Ligands that Exhibit Dual Phosphorescence.","Inorganic chemistry","2016","55","8","3829","3843","10.1021/acs.inorgchem.5b02872","","","0.71069","MoKα","","0.038","0.0336","","","0.0826","0.0844","","","","","","1.042","","","","has coordinates","232218","2020-10-21","18:00:00",""
"4347202","9.75","0.02","9.88","0.02","9.88","0.01","90.36","0.03","92.73","0.03","117.33","0.05","844","3","293","","","","","","","","","","","5","P -1","-P 1","2","","","","- C16 H18 Cd N O6 -","- C16 H18 Cd N O6 -","- C32 H36 Cd2 N2 O12 -","2","1","","Haldar, Ritesh; Inukai, Munehiro; Horike, Satoshi; Uemura, Kazuhiro; Kitagawa, Susumu; Maji, Tapas Kumar","(113)Cd Nuclear Magnetic Resonance as a Probe of Structural Dynamics in a Flexible Porous Framework Showing Selective O2/N2 and CO2/N2 Adsorption.","Inorganic chemistry","2016","55","9","4166","4172","10.1021/acs.inorgchem.5b02873","","","0.7107","MoKα","","","0.0276","","","","0.0311","","","","","","0.828","","","","has coordinates","232219","2020-10-21","18:00:00",""
"4347203","9.45","0.03","9.75","0.02","10.29","0.02","96.11","0.03","90.4","0.09","116.54","0.08","842","4","293","","","","","","","","","","","5","P -1","-P 1","2","","","","- C14 H12 Cd N O7 -","- C14 H12 Cd N O7 -","- C28 H24 Cd2 N2 O14 -","2","1","","Haldar, Ritesh; Inukai, Munehiro; Horike, Satoshi; Uemura, Kazuhiro; Kitagawa, Susumu; Maji, Tapas Kumar","(113)Cd Nuclear Magnetic Resonance as a Probe of Structural Dynamics in a Flexible Porous Framework Showing Selective O2/N2 and CO2/N2 Adsorption.","Inorganic chemistry","2016","55","9","4166","4172","10.1021/acs.inorgchem.5b02873","","","0.7107","MoKα","","","0.0479","","","","0.0642","","","","","","0.959","","","","has coordinates","232219","2020-10-21","18:00:00",""
"4347204","29.788","0.006","11.995","0.002","22.094","0.004","90","","114.76","0.03","90","","7169","3","195","2","195","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C22 H37 N6 Ni O4 -","- C22 H37 N6 Ni O4 -","- C176 H296 N48 Ni8 O32 -","8","1","","Hyun, Sung-min; Lee, Jae Hwa; Jung, Gwan Yeong; Kim, Yun Kyeong; Kim, Tae Kyung; Jeoung, Sungeun; Kwak, Sang Kyu; Moon, Dohyun; Moon, Hoi Ri","Exploration of Gate-Opening and Breathing Phenomena in a Tailored Flexible Metal-Organic Framework.","Inorganic chemistry","2016","55","4","1920","1925","10.1021/acs.inorgchem.5b02874","","","0.65002","synchrotron","","0.0371","0.0363","","","0.1113","0.112","","","","","","1.029","","","","has coordinates,has disorder","232220","2020-10-21","18:00:00",""
"4347205","29.313","0.006","11.935","0.002","22.254","0.005","90","","114.98","0.03","90","","7057","3","195","2","195","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C28 H48 N9 Ni O5 -","- C28 H48 N9 Ni O5 -","- C224 H384 N72 Ni8 O40 -","8","1","","Hyun, Sung-min; Lee, Jae Hwa; Jung, Gwan Yeong; Kim, Yun Kyeong; Kim, Tae Kyung; Jeoung, Sungeun; Kwak, Sang Kyu; Moon, Dohyun; Moon, Hoi Ri","Exploration of Gate-Opening and Breathing Phenomena in a Tailored Flexible Metal-Organic Framework.","Inorganic chemistry","2016","55","4","1920","1925","10.1021/acs.inorgchem.5b02874","","","0.62998","synchrotron","","0.044","0.0412","","","0.1243","0.127","","","","","","1.051","","","","has coordinates,has disorder","232221","2020-10-21","18:00:00",""
"4347206","21.82","0.004","9.186","0.0018","16.167","0.003","112.32","0.03","101.56","0.03","100.54","0.03","2814.4","1.4","195","2","195","2","","","","","","","","5","P -1","-P 1","2","","","","- C44 H74 N12 Ni2 O8 -","- C44 H74 N12 Ni2 O8 -","- C88 H148 N24 Ni4 O16 -","2","1","","Hyun, Sung-min; Lee, Jae Hwa; Jung, Gwan Yeong; Kim, Yun Kyeong; Kim, Tae Kyung; Jeoung, Sungeun; Kwak, Sang Kyu; Moon, Dohyun; Moon, Hoi Ri","Exploration of Gate-Opening and Breathing Phenomena in a Tailored Flexible Metal-Organic Framework.","Inorganic chemistry","2016","55","4","1920","1925","10.1021/acs.inorgchem.5b02874","","","0.79999","synchrotron","","0.1006","0.0821","","","0.2339","0.2532","","","","","","1.058","","","","has coordinates,has disorder","232222","2020-10-21","18:00:00",""
"4347207","10.6113","0.0006","11.9461","0.0007","14.5644","0.0008","81.002","0.003","70.85","0.002","68.847","0.002","1625.04","0.16","298","2","298","2","","","","","","","","7","P -1","-P 1","2","","","","- C32 H16 Cl4 F4 Ir N3 O4 -","- C32 H16 Cl4 F4 Ir N3 O4 -","- C64 H32 Cl8 F8 Ir2 N6 O8 -","2","1","","Bejoymohandas, K. S.; Kumar, Ajay; Sreenadh, S.; Varathan, E.; Varughese, S.; Subramanian, V.; Reddy, M. L. P.","A Highly Selective Chemosensor for Cyanide Derived from a Formyl-Functionalized Phosphorescent Iridium(III) Complex.","Inorganic chemistry","2016","55","7","3448","3461","10.1021/acs.inorgchem.5b02885","","","0.71073","MoKα","","0.0591","0.0511","","","0.1359","0.1459","","","","","","1.015","","","","has coordinates,has disorder","232223","2020-10-21","18:00:00",""
"4347208","30.131","0.006","12.795","0.002","24.138","0.005","90","","100.206","0.003","90","","9159","3","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C45 H55 Cl2 N4 Nb O -","- C45 H55 Cl2 N4 Nb O -","- C360 H440 Cl16 N32 Nb8 O8 -","8","1","","Bortoluzzi, Marco; Ferretti, Eleonora; Marchetti, Fabio; Pampaloni, Guido; Pinzino, Calogero; Zacchini, Stefano","Coordination Compounds of Niobium(IV) Oxide Dihalides Including the Synthesis and the Crystallographic Characterization of NHC Complexes.","Inorganic chemistry","2016","55","9","4173","4182","10.1021/acs.inorgchem.5b02888","","","0.71073","MoKα","","0.1094","0.0742","","","0.2062","0.2383","","","","","","1.033","","","","has coordinates,has disorder","232224","2020-10-21","18:00:00",""
"4347209","21.228","0.003","15.011","0.002","26.045","0.004","90","","90","","90","","8299","2","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C45 H48 Br2 N4 Nb O -","- C45 H48 Br2 N4 Nb O -","- C360 H384 Br16 N32 Nb8 O8 -","8","1","","Bortoluzzi, Marco; Ferretti, Eleonora; Marchetti, Fabio; Pampaloni, Guido; Pinzino, Calogero; Zacchini, Stefano","Coordination Compounds of Niobium(IV) Oxide Dihalides Including the Synthesis and the Crystallographic Characterization of NHC Complexes.","Inorganic chemistry","2016","55","9","4173","4182","10.1021/acs.inorgchem.5b02888","","","0.71073","MoKα","","0.1063","0.0806","","","0.2408","0.2651","","","","","","1.044","","","","has coordinates","232224","2020-10-21","18:00:00",""
"4347210","11.7798","0.0005","15.9919","0.0009","16.8204","0.0009","93.135","0.002","95.456","0.003","98.989","0.003","3107.8","0.3","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C58 H62 Cl8 Co2 N2 P4 S2 -","- C58 H62 Cl8 Co2 N2 P4 S2 -","- C116 H124 Cl16 Co4 N4 P8 S4 -","2","1","","Fliedel, Christophe; Rosa, Vitor; Vileno, Bertrand; Parizel, Nathalie; Choua, Sylvie; Gourlaouen, Christophe; Rosa, Patrick; Turek, Philippe; Braunstein, Pierre","Zwitterionic Cobalt Complexes with Bis(diphenylphosphino)(N-thioether)amine Assembling Ligands: Structural, EPR, Magnetic, and Computational Studies.","Inorganic chemistry","2016","55","9","4183","4198","10.1021/acs.inorgchem.5b02889","","","0.71073","MoKα","","0.1805","0.0873","","","0.1827","0.2396","","","","","","1.045","","","","has coordinates","232225","2020-10-21","18:00:00",""
"4347211","44.4062","0.0017","13.0561","0.0006","22.6438","0.0005","90","","106.959","0.002","90","","12557.3","0.8","173","2","173","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C57 H60 Cl3 Co F6 N2 P5 S2 -","- C57 H60 Cl3 Co F6 N2 P5 S2 -","- C456 H480 Cl24 Co8 F48 N16 P40 S16 -","8","1","","Fliedel, Christophe; Rosa, Vitor; Vileno, Bertrand; Parizel, Nathalie; Choua, Sylvie; Gourlaouen, Christophe; Rosa, Patrick; Turek, Philippe; Braunstein, Pierre","Zwitterionic Cobalt Complexes with Bis(diphenylphosphino)(N-thioether)amine Assembling Ligands: Structural, EPR, Magnetic, and Computational Studies.","Inorganic chemistry","2016","55","9","4183","4198","10.1021/acs.inorgchem.5b02889","","","0.71073","MoKα","","0.1356","0.0875","","","0.2473","0.275","","","","","","1.021","","","","has coordinates,has disorder","232225","2020-10-21","18:00:00",""
"4347212","10.5383","0.0004","11.1199","0.0005","18.1015","0.0009","90","","90","","90","","2121.22","0.16","173","2","173","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C4 H12 Cl3 Co N S -","- C4 H12 Cl3 Co N S -","- C32 H96 Cl24 Co8 N8 S8 -","8","1","","Fliedel, Christophe; Rosa, Vitor; Vileno, Bertrand; Parizel, Nathalie; Choua, Sylvie; Gourlaouen, Christophe; Rosa, Patrick; Turek, Philippe; Braunstein, Pierre","Zwitterionic Cobalt Complexes with Bis(diphenylphosphino)(N-thioether)amine Assembling Ligands: Structural, EPR, Magnetic, and Computational Studies.","Inorganic chemistry","2016","55","9","4183","4198","10.1021/acs.inorgchem.5b02889","","x-ray","0.71073","MoKα","","0.0604","0.0369","","","0.0687","0.0746","","","","","","1.036","","","","has coordinates","232225","2020-10-21","18:00:00",""
"4347213","26.7271","0.0003","18.359","0.0002","28.2564","0.0003","90","","105.792","0.001","90","","13341.6","0.3","173","2","173","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C62 H54 Cl Co F6 N2 P5 S2 -","- C62 H54 Cl Co F6 N2 P5 S2 -","- C496 H432 Cl8 Co8 F48 N16 P40 S16 -","8","1","","Fliedel, Christophe; Rosa, Vitor; Vileno, Bertrand; Parizel, Nathalie; Choua, Sylvie; Gourlaouen, Christophe; Rosa, Patrick; Turek, Philippe; Braunstein, Pierre","Zwitterionic Cobalt Complexes with Bis(diphenylphosphino)(N-thioether)amine Assembling Ligands: Structural, EPR, Magnetic, and Computational Studies.","Inorganic chemistry","2016","55","9","4183","4198","10.1021/acs.inorgchem.5b02889","","","0.71073","MoKα","","0.0808","0.0652","","","0.1951","0.2064","","","","","","1.053","","","","has coordinates,has disorder","232225","2020-10-21","18:00:00",""
"4347214","6.944","0.0003","12.4765","0.0005","12.7558","0.0004","69.658","0.002","82.329","0.002","86.36","0.002","1026.75","0.07","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C14 H20 Cl4 Co N2 S2 -","- C14 H20 Cl4 Co N2 S2 -","- C28 H40 Cl8 Co2 N4 S4 -","2","1","","Fliedel, Christophe; Rosa, Vitor; Vileno, Bertrand; Parizel, Nathalie; Choua, Sylvie; Gourlaouen, Christophe; Rosa, Patrick; Turek, Philippe; Braunstein, Pierre","Zwitterionic Cobalt Complexes with Bis(diphenylphosphino)(N-thioether)amine Assembling Ligands: Structural, EPR, Magnetic, and Computational Studies.","Inorganic chemistry","2016","55","9","4183","4198","10.1021/acs.inorgchem.5b02889","","","0.71073","MoKα","","0.0544","0.0365","","","0.0864","0.096","","","","","","1.054","","","","has coordinates","232225","2020-10-21","18:00:00",""
"4347215","12.1774","0.0004","15.975","0.0004","16.2155","0.0005","98.646","0.002","110.634","0.002","90.728","0.002","2911.2","0.16","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C56 H58 Cl5 Co2 N2 P4 S2 -","- C56 H58 Cl5 Co2 N2 P4 S2 -","- C112 H116 Cl10 Co4 N4 P8 S4 -","2","1","","Fliedel, Christophe; Rosa, Vitor; Vileno, Bertrand; Parizel, Nathalie; Choua, Sylvie; Gourlaouen, Christophe; Rosa, Patrick; Turek, Philippe; Braunstein, Pierre","Zwitterionic Cobalt Complexes with Bis(diphenylphosphino)(N-thioether)amine Assembling Ligands: Structural, EPR, Magnetic, and Computational Studies.","Inorganic chemistry","2016","55","9","4183","4198","10.1021/acs.inorgchem.5b02889","","x-ray","0.71073","MoKα","","0.0777","0.0446","","","0.0892","0.101","","","","","","1.028","","","","has coordinates","232225","2020-10-21","18:00:00",""
"4347216","13.546","0.0002","29.8914","0.0004","20.3913","0.0003","90","","119.535","0.001","90","","7183.71","0.19","173","2","173","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C70 H66 Cl8 Co2 N3 P4 S3 -","- C70 H66 Cl8 Co2 N3 P4 S3 -","- C280 H264 Cl32 Co8 N12 P16 S12 -","4","1","","Fliedel, Christophe; Rosa, Vitor; Vileno, Bertrand; Parizel, Nathalie; Choua, Sylvie; Gourlaouen, Christophe; Rosa, Patrick; Turek, Philippe; Braunstein, Pierre","Zwitterionic Cobalt Complexes with Bis(diphenylphosphino)(N-thioether)amine Assembling Ligands: Structural, EPR, Magnetic, and Computational Studies.","Inorganic chemistry","2016","55","9","4183","4198","10.1021/acs.inorgchem.5b02889","","x-ray","0.71073","MoKα","","0.1149","0.0581","","","0.1494","0.1786","","","","","","0.97","","","","has coordinates,has disorder","232225","2020-10-21","18:00:00",""
"4347217","13.2122","0.0005","28.5949","0.0015","12.4314","0.0007","90","","117.855","0.005","90","","4152.4","0.4","293","","293","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C42 H28 F12 N8 P2 Ru -","- C42 H28 F12 N8 P2 Ru -","- C168 H112 F48 N32 P8 Ru4 -","4","1","","Jarenmark, Martin; Carlström, Göran; Fredin, Lisa A.; Hedberg Wallenstein, Joachim; Doverbratt, Isa; Abrahamsson, Maria; Persson, Petter","Diastereomerization Dynamics of a Bistridentate Ru(II) Complex.","Inorganic chemistry","2016","55","6","3015","3022","10.1021/acs.inorgchem.5b02893","","x-ray","0.7107","MoKα","","0.3028","0.1057","","","0.2532","0.3427","","","","1.92","1.92","1.19","","","","has coordinates","232226","2020-10-21","18:00:00",""
"4347218","21.4976","0.0015","13.0927","0.0009","27.0195","0.0018","90","","90","","90","","7605","0.9","150","2","150","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C36 H54 B F5 N4 O V -","- C36 H39 B F5 N4 O V -","- C288 H312 B8 F40 N32 O8 V8 -","8","1","","Passadis, Stamatis S.; Tsiafoulis, Constantinos; Drouza, Chryssoula; Tsipis, Athanassios C.; Miras, Haralampos N.; Keramidas, Anastasios D.; Kabanos, Themistoklis A.","Synthesis, Bonding, and Reactivity of Vanadium(IV) Oxido-Fluorido Compounds with Neutral Chelate Ligands of the General Formula cis-[V(IV)(═O)(F)(L(N-N))2](+).","Inorganic chemistry","2016","55","4","1364","1366","10.1021/acs.inorgchem.5b02895","","","0.71073","MoKα","","0.1253","0.0724","","","0.1859","0.2332","","","","","","1.048","","","","has coordinates,has disorder","232227","2020-10-21","18:00:00",""
"4347219","8.1049","0.0003","10.4872","0.0004","13.8978","0.0006","84.346","0.003","75.05","0.004","89.048","0.003","1135.7","0.08","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C20 H18 F7 N4 O2 Sb V -","- C20 H18 F7 N4 O2 Sb V -","- C40 H36 F14 N8 O4 Sb2 V2 -","2","1","","Passadis, Stamatis S.; Tsiafoulis, Constantinos; Drouza, Chryssoula; Tsipis, Athanassios C.; Miras, Haralampos N.; Keramidas, Anastasios D.; Kabanos, Themistoklis A.","Synthesis, Bonding, and Reactivity of Vanadium(IV) Oxido-Fluorido Compounds with Neutral Chelate Ligands of the General Formula cis-[V(IV)(═O)(F)(L(N-N))2](+).","Inorganic chemistry","2016","55","4","1364","1366","10.1021/acs.inorgchem.5b02895","","","0.71073","MoKα","","0.0495","0.0392","","","0.0857","0.0938","","","","","","1.061","","","","has coordinates","232228","2020-10-21","18:00:00",""
"4347220","14.336","0.0003","14.4049","0.0003","25.3801","0.0004","76.5352","0.0014","78.48","0.0014","65.626","0.0019","4610.97","0.17","123","1","123","1","","","","","","","","5","P -1","-P 1","2","","","","- C110 H130 Br2 Fe2 O5 -","- C110 H130 Br2 Fe2 O5 -","- C220 H260 Br4 Fe4 O10 -","2","1","","Chakraborty, Uttam; Modl, Moritz; Mühldorf, Bernd; Bodensteiner, Michael; Demeshko, Serhiy; van Velzen, Niels J. C.; Scheer, Manfred; Harder, Sjoerd; Wolf, Robert","Pentaarylcyclopentadienyl Iron, Cobalt, and Nickel Halides.","Inorganic chemistry","2016","55","6","3065","3074","10.1021/acs.inorgchem.5b02896","","x-ray","1.54184","CuKα","","0.057","0.0445","","","0.1261","0.1322","","","","","","1","","","","has coordinates,has disorder","232229","2020-10-21","18:00:00",""
"4347221","12.4894","0.0005","13.938","0.0008","14.1966","0.0006","92.656","0.004","114.368","0.004","116.014","0.005","1943.5","0.2","123","1","123","1","","","","","","","","4","P -1","-P 1","2","","","","- C97 H98 Br2 Fe2 -","- C97 H98 Br2 Fe2 -","- C97 H98 Br2 Fe2 -","1","0.5","","Chakraborty, Uttam; Modl, Moritz; Mühldorf, Bernd; Bodensteiner, Michael; Demeshko, Serhiy; van Velzen, Niels J. C.; Scheer, Manfred; Harder, Sjoerd; Wolf, Robert","Pentaarylcyclopentadienyl Iron, Cobalt, and Nickel Halides.","Inorganic chemistry","2016","55","6","3065","3074","10.1021/acs.inorgchem.5b02896","","x-ray","0.71073","MoKα","","0.065","0.0434","","","0.0927","0.1018","","","","","","1.046","","","","has coordinates,has disorder","232229","2020-10-21","18:00:00",""
"4347222","13.9761","0.0004","15.3878","0.0003","18.3949","0.0004","99.1979","0.0018","101.964","0.002","97.895","0.002","3760.33","0.16","123","1","123","1","","","","","","","","5","P -1","-P 1","2","","","","- C92 H94 Br2 Co2 O0.5 -","- C92 H94 Br2 Co2 O0.5 -","- C184 H188 Br4 Co4 O -","2","1","","Chakraborty, Uttam; Modl, Moritz; Mühldorf, Bernd; Bodensteiner, Michael; Demeshko, Serhiy; van Velzen, Niels J. C.; Scheer, Manfred; Harder, Sjoerd; Wolf, Robert","Pentaarylcyclopentadienyl Iron, Cobalt, and Nickel Halides.","Inorganic chemistry","2016","55","6","3065","3074","10.1021/acs.inorgchem.5b02896","","x-ray","1.54184","CuKα","","0.0587","0.054","","","0.1457","0.1512","","","","","","1.012","","","","has coordinates,has disorder","232229","2020-10-21","18:00:00",""
"4347223","12.3278","0.0006","14.0042","0.0006","14.1264","0.0006","93.205","0.004","115.813","0.004","116.063","0.004","1877.8","0.2","123","1","123","1","","","","","","","","4","P -1","-P 1","2","","","","- C45 H45 Br0.99 Ni -","- C45 H45 Br0.9903 Ni -","- C90 H90 Br1.9806 Ni2 -","2","1","","Chakraborty, Uttam; Modl, Moritz; Mühldorf, Bernd; Bodensteiner, Michael; Demeshko, Serhiy; van Velzen, Niels J. C.; Scheer, Manfred; Harder, Sjoerd; Wolf, Robert","Pentaarylcyclopentadienyl Iron, Cobalt, and Nickel Halides.","Inorganic chemistry","2016","55","6","3065","3074","10.1021/acs.inorgchem.5b02896","","x-ray","1.54184","CuKα","","0.0518","0.0472","","","0.132","0.1381","","","","","","1.039","","","","has coordinates,has disorder","232229","2020-10-21","18:00:00",""
"4347224","13.41135","0.00016","22.5367","0.0003","31.9869","0.0004","90","","90.0983","0.001","90","","9667.9","0.2","123","1","123","1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C110 H130 Br2 Ni2 -","- C110 H130 Br2 Ni2 -","- C440 H520 Br8 Ni8 -","4","1","","Chakraborty, Uttam; Modl, Moritz; Mühldorf, Bernd; Bodensteiner, Michael; Demeshko, Serhiy; van Velzen, Niels J. C.; Scheer, Manfred; Harder, Sjoerd; Wolf, Robert","Pentaarylcyclopentadienyl Iron, Cobalt, and Nickel Halides.","Inorganic chemistry","2016","55","6","3065","3074","10.1021/acs.inorgchem.5b02896","","x-ray","1.54184","CuKα","","0.0554","0.0455","","","0.116","0.1237","","","","","","1.024","","","","has coordinates,has disorder","232229","2020-10-21","18:00:00",""
"4347225","14.1662","0.0005","25.8886","0.0009","13.6321","0.0004","90","","102.501","0.003","90","","4881","0.3","123","1","123","1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C55 H65 Co I2 -","- C55 H65 Co I2 -","- C220 H260 Co4 I8 -","4","1","","Chakraborty, Uttam; Modl, Moritz; Mühldorf, Bernd; Bodensteiner, Michael; Demeshko, Serhiy; van Velzen, Niels J. C.; Scheer, Manfred; Harder, Sjoerd; Wolf, Robert","Pentaarylcyclopentadienyl Iron, Cobalt, and Nickel Halides.","Inorganic chemistry","2016","55","6","3065","3074","10.1021/acs.inorgchem.5b02896","","x-ray","1.54184","CuKα","","0.0616","0.0522","","","0.137","0.1462","","","","","","1.034","","","","has coordinates,has disorder","232229","2020-10-21","18:00:00",""
"4347226","14.11866","0.00012","25.8867","0.0002","13.67535","0.00012","90","","102.55","0.0009","90","","4878.72","0.07","123","1","123","1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C55 H65 I2 Ni -","- C55 H65 I2 Ni -","- C220 H260 I8 Ni4 -","4","1","","Chakraborty, Uttam; Modl, Moritz; Mühldorf, Bernd; Bodensteiner, Michael; Demeshko, Serhiy; van Velzen, Niels J. C.; Scheer, Manfred; Harder, Sjoerd; Wolf, Robert","Pentaarylcyclopentadienyl Iron, Cobalt, and Nickel Halides.","Inorganic chemistry","2016","55","6","3065","3074","10.1021/acs.inorgchem.5b02896","","x-ray","1.54184","CuKα","","0.0299","0.0283","","","0.0762","0.0779","","","","","","1.043","","","","has coordinates,has disorder","232229","2020-10-21","18:00:00",""
"4347227","25.3629","0.003","15.1841","0.0016","19.8128","0.0025","90","","95.0798","0.0034","90","","7600.2","1.5","120","2","120","2","","","","","","","","7","C 1 2/m 1","-C 2y","12","Sc2O@C82/NiOEP/0.90(bz)0.10(CF)","","","- C123.5 H49.5 Cl0.25 N4 Ni O Sc2 -","- C123.785 H49.616 Cl0.384 N4 Ni O0.994 Sc1.998 -","- C495.14 H198.464 Cl1.536 N16 Ni4 O3.976 Sc7.992 -","4","0.5","","Tang, Qiangqiang; Abella, Laura; Hao, Yajuan; Li, Xiaohong; Wan, Yingbo; Rodríguez-Fortea, Antonio; Poblet, Josep M.; Feng, Lai; Chen, Ning","Sc2O@C(3v)(8)-C82: A Missing Isomer of Sc2O@C82.","Inorganic chemistry","2016","55","4","1926","1933","10.1021/acs.inorgchem.5b02901","","","0.71073","MoKα","","0.1171","0.1065","","","0.3397","0.3505","","","","","","1.669","","","","has coordinates,has disorder","232230","2020-10-21","18:00:00",""
"4347228","11.7951","0.0006","27.9283","0.0013","23.3331","0.0012","90","","100.952","0.003","90","","7546.3","0.7","273","2","273","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C60 H42 Cl2 N12 O8 Ru2 -","- C60 H42 Cl2 N12 O8 Ru2 -","- C240 H168 Cl8 N48 O32 Ru8 -","4","1","","Mardanya, Sourav; Karmakar, Srikanta; Mondal, Debiprasad; Baitalik, Sujoy","Homo- and Heterobimetallic Ruthenium(II) and Osmium(II) Complexes Based on a Pyrene-Biimidazolate Spacer as Efficient DNA-Binding Probes in the Near-Infrared Domain.","Inorganic chemistry","2016","55","7","3475","3489","10.1021/acs.inorgchem.5b02912","","","0.71073","MoKα","","0.1446","0.0831","","","0.2121","0.2363","","","","","","1.029","","","","has coordinates","232231","2020-10-21","18:00:00",""
"4347229","11.808","0.0004","27.8673","0.0009","23.4456","0.0008","90","","101.537","0.002","90","","7559.1","0.4","273","2","273","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C67 H50 Cl2 N12 O8 Os2 -","- C67 H50 Cl2 N12 O8 Os2 -","- C268 H200 Cl8 N48 O32 Os8 -","4","1","","Mardanya, Sourav; Karmakar, Srikanta; Mondal, Debiprasad; Baitalik, Sujoy","Homo- and Heterobimetallic Ruthenium(II) and Osmium(II) Complexes Based on a Pyrene-Biimidazolate Spacer as Efficient DNA-Binding Probes in the Near-Infrared Domain.","Inorganic chemistry","2016","55","7","3475","3489","10.1021/acs.inorgchem.5b02912","","","0.71073","MoKα","","0.1383","0.0616","","","0.1267","0.1438","","","","","","0.941","","","","has coordinates","232231","2020-10-21","18:00:00",""
"4347230","10.968","0.002","12.2031","0.0014","14.366","0.002","90","","110.304","0.013","90","","1803.3","0.5","180","2","180","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H10 Cu2 N6 O8 -","- C20 H10 Cu2 N6 O8 -","- C40 H20 Cu4 N12 O16 -","2","0.5","","Kobalz, Merten; Lincke, Jörg; Kobalz, Karolin; Erhart, Oliver; Bergmann, Jens; Lässig, Daniel; Lange, Marcus; Möllmer, Jens; Gläser, Roger; Staudt, Reiner; Krautscheid, Harald","Paddle Wheel Based Triazolyl Isophthalate MOFs: Impact of Linker Modification on Crystal Structure and Gas Sorption Properties.","Inorganic chemistry","2016","55","6","3030","3039","10.1021/acs.inorgchem.5b02921","","","0.71073","MoKα","","0.0728","0.0517","","","0.1225","0.1284","","","","","","0.844","","","","has coordinates","232232","2020-10-21","18:00:00",""
"4347231","10.8587","0.0012","12.7859","0.0016","14.0255","0.0016","90","","110.508","0.008","90","","1823.9","0.4","180","2","180","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H14 Cu2 N6 O8 -","- C22 H14 Cu2 N6 O8 -","- C44 H28 Cu4 N12 O16 -","2","0.5","","Kobalz, Merten; Lincke, Jörg; Kobalz, Karolin; Erhart, Oliver; Bergmann, Jens; Lässig, Daniel; Lange, Marcus; Möllmer, Jens; Gläser, Roger; Staudt, Reiner; Krautscheid, Harald","Paddle Wheel Based Triazolyl Isophthalate MOFs: Impact of Linker Modification on Crystal Structure and Gas Sorption Properties.","Inorganic chemistry","2016","55","6","3030","3039","10.1021/acs.inorgchem.5b02921","","","0.71073","MoKα","","0.0713","0.0585","","","0.1538","0.1597","","","","","","0.997","","","","has coordinates,has disorder","232232","2020-10-21","18:00:00",""
"4347232","10.877","0.0017","12.579","0.002","14.114","0.002","90","","110.02","0.02","90","","1814.4","0.5","180","2","180","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H22 Cu2 N6 O8 -","- C26 H22 Cu2 N6 O8 -","- C52 H44 Cu4 N12 O16 -","2","0.5","","Kobalz, Merten; Lincke, Jörg; Kobalz, Karolin; Erhart, Oliver; Bergmann, Jens; Lässig, Daniel; Lange, Marcus; Möllmer, Jens; Gläser, Roger; Staudt, Reiner; Krautscheid, Harald","Paddle Wheel Based Triazolyl Isophthalate MOFs: Impact of Linker Modification on Crystal Structure and Gas Sorption Properties.","Inorganic chemistry","2016","55","6","3030","3039","10.1021/acs.inorgchem.5b02921","","","0.71073","MoKα","","0.087","0.0674","","","0.1795","0.1886","","","","","","0.957","","","","has coordinates","232232","2020-10-21","18:00:00",""
"4347233","12.9873","0.0013","14.0621","0.001","20.4039","0.0016","90","","90","","90","","3726.3","0.5","180","2","180","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C22 H14 Cu2 N6 O8 -","- C22 H14 Cu2 N6 O8 -","- C88 H56 Cu8 N24 O32 -","4","0.5","","Kobalz, Merten; Lincke, Jörg; Kobalz, Karolin; Erhart, Oliver; Bergmann, Jens; Lässig, Daniel; Lange, Marcus; Möllmer, Jens; Gläser, Roger; Staudt, Reiner; Krautscheid, Harald","Paddle Wheel Based Triazolyl Isophthalate MOFs: Impact of Linker Modification on Crystal Structure and Gas Sorption Properties.","Inorganic chemistry","2016","55","6","3030","3039","10.1021/acs.inorgchem.5b02921","","","0.71073","MoKα","","0.0531","0.0417","","","0.1137","0.1179","","","","","","0.943","","","","has coordinates,has disorder","232232","2020-10-21","18:00:00",""
"4347234","13.4593","0.001","13.2047","0.0012","20.1844","0.0019","90","","90","","90","","3587.3","0.5","293","2","293","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C24 H18 Cu2 N6 O8 -","- C24 H18 Cu2 N6 O8 -","- C96 H72 Cu8 N24 O32 -","4","0.5","","Kobalz, Merten; Lincke, Jörg; Kobalz, Karolin; Erhart, Oliver; Bergmann, Jens; Lässig, Daniel; Lange, Marcus; Möllmer, Jens; Gläser, Roger; Staudt, Reiner; Krautscheid, Harald","Paddle Wheel Based Triazolyl Isophthalate MOFs: Impact of Linker Modification on Crystal Structure and Gas Sorption Properties.","Inorganic chemistry","2016","55","6","3030","3039","10.1021/acs.inorgchem.5b02921","","","0.71073","MoKα","","0.059","0.0395","","","0.0991","0.1051","","","","","","0.906","","","","has coordinates,has disorder","232232","2020-10-21","18:00:00",""
"4347235","13.4006","0.0011","13.3794","0.0008","20.2814","0.0012","90","","90","","90","","3636.3","0.4","213","2","213","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C24 H18 Cu2 N6 O8 -","- C24 H18 Cu2 N6 O8 -","- C96 H72 Cu8 N24 O32 -","4","0.5","","Kobalz, Merten; Lincke, Jörg; Kobalz, Karolin; Erhart, Oliver; Bergmann, Jens; Lässig, Daniel; Lange, Marcus; Möllmer, Jens; Gläser, Roger; Staudt, Reiner; Krautscheid, Harald","Paddle Wheel Based Triazolyl Isophthalate MOFs: Impact of Linker Modification on Crystal Structure and Gas Sorption Properties.","Inorganic chemistry","2016","55","6","3030","3039","10.1021/acs.inorgchem.5b02921","","","0.71073","MoKα","","0.038","0.0313","","","0.0936","0.0959","","","","","","0.973","","","","has coordinates","232232","2020-10-21","18:00:00",""
"4347236","13.4952","0.0007","13.2445","0.0006","20.4401","0.0014","90","","90","","90","","3653.4","0.4","213","2","213","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C24 H18 N6 O8 Zn2 -","- C24 H18 N6 O8 Zn2 -","- C96 H72 N24 O32 Zn8 -","4","0.5","","Kobalz, Merten; Lincke, Jörg; Kobalz, Karolin; Erhart, Oliver; Bergmann, Jens; Lässig, Daniel; Lange, Marcus; Möllmer, Jens; Gläser, Roger; Staudt, Reiner; Krautscheid, Harald","Paddle Wheel Based Triazolyl Isophthalate MOFs: Impact of Linker Modification on Crystal Structure and Gas Sorption Properties.","Inorganic chemistry","2016","55","6","3030","3039","10.1021/acs.inorgchem.5b02921","","","0.71073","MoKα","","0.039","0.0265","","","0.0695","0.0731","","","","","","0.874","","","","has coordinates","232232","2020-10-21","18:00:00",""
"4347237","13.4344","0.0009","13.3485","0.001","20.181","0.0018","90","","90","","90","","3619","0.5","213","2","213","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C26 H22 Cu2 N6 O8 -","- C26 H22 Cu2 N6 O8 -","- C104 H88 Cu8 N24 O32 -","4","0.5","","Kobalz, Merten; Lincke, Jörg; Kobalz, Karolin; Erhart, Oliver; Bergmann, Jens; Lässig, Daniel; Lange, Marcus; Möllmer, Jens; Gläser, Roger; Staudt, Reiner; Krautscheid, Harald","Paddle Wheel Based Triazolyl Isophthalate MOFs: Impact of Linker Modification on Crystal Structure and Gas Sorption Properties.","Inorganic chemistry","2016","55","6","3030","3039","10.1021/acs.inorgchem.5b02921","","","0.71073","MoKα","","0.0478","0.0275","","","0.0586","0.061","","","","","","0.818","","","","has coordinates","232232","2020-10-21","18:00:00",""
"4347238","13.5632","0.001","13.3371","0.001","20.337","0.002","90","","90","","90","","3678.8","0.5","180","2","180","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C26 H22 N6 O8 Zn2 -","- C26 H22 N6 O8 Zn2 -","- C104 H88 N24 O32 Zn8 -","4","0.5","","Kobalz, Merten; Lincke, Jörg; Kobalz, Karolin; Erhart, Oliver; Bergmann, Jens; Lässig, Daniel; Lange, Marcus; Möllmer, Jens; Gläser, Roger; Staudt, Reiner; Krautscheid, Harald","Paddle Wheel Based Triazolyl Isophthalate MOFs: Impact of Linker Modification on Crystal Structure and Gas Sorption Properties.","Inorganic chemistry","2016","55","6","3030","3039","10.1021/acs.inorgchem.5b02921","","","0.71073","MoKα","","0.0689","0.0438","","","0.1017","0.1073","","","","","","0.861","","","","has coordinates","232232","2020-10-21","18:00:00",""
"4347239","13.3344","0.0015","13.6545","0.0014","20.0416","0.0017","90","","90","","90","","3649.1","0.6","213","2","213","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C28 H26 Cu2 N6 O8 -","- C28 H26 Cu2 N6 O8 -","- C112 H104 Cu8 N24 O32 -","4","0.5","","Kobalz, Merten; Lincke, Jörg; Kobalz, Karolin; Erhart, Oliver; Bergmann, Jens; Lässig, Daniel; Lange, Marcus; Möllmer, Jens; Gläser, Roger; Staudt, Reiner; Krautscheid, Harald","Paddle Wheel Based Triazolyl Isophthalate MOFs: Impact of Linker Modification on Crystal Structure and Gas Sorption Properties.","Inorganic chemistry","2016","55","6","3030","3039","10.1021/acs.inorgchem.5b02921","","","0.71073","MoKα","","0.0541","0.037","","","0.0972","0.1028","","","","","","0.941","","","","has coordinates","232232","2020-10-21","18:00:00",""
"4347240","14.076","0.0002","14.076","0.0002","14.076","0.0002","90","","90","","90","","2788.93","0.07","150","2","150","2","","","","","","","","5","I 2 3","I 2 2 3","197","","","","- C36 H84 Cu4 I4 Sb4 -","- C36 H84 Cu4 I4 Sb4 -","- C72 H168 Cu8 I8 Sb8 -","2","0.0833333","","Taylor, William V.; Soto, Ulysses H.; Lynch, Vincent M.; Rose, Michael J.","Antimony-Supported Cu4I4 Cuboid with Short Cu-Cu Bonds: Structural Premise for Near-Infrared Thermoluminescence.","Inorganic chemistry","2016","55","7","3206","3208","10.1021/acs.inorgchem.5b02933","","","1.54184","CuKα","","0.036","0.0345","","","0.0903","0.0913","","","","","","1.082","","","","has coordinates","273129","2022-02-23","10:11:35",""
"4347241","8.684","0.005","11.159","0.007","12.417","0.008","100.631","0.006","104.252","0.005","106.424","0.006","1076.1","1.2","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H15 N6 O3 Re -","- C24 H15 N6 O3 Re -","- C48 H30 N12 O6 Re2 -","2","1","","Crandall, Laura A.; Bogdanowicz, Catherine A.; Hasheminasab, Abed; Chanawanno, Kullapa; Herrick, Richard S.; Ziegler, Christopher J.","Re(CO)3-Templated Formation of Aza(dibenzo)dipyrromethenes.","Inorganic chemistry","2016","55","7","3209","3211","10.1021/acs.inorgchem.5b02934","","","0.71073","MoKα","","0.0444","0.0374","","","0.0925","0.0953","","","","","","1.074","","","","has coordinates","232234","2020-10-21","18:00:00",""
"4347242","8.665","0.009","11.112","0.011","12.398","0.013","101.448","0.011","104.233","0.011","105.919","0.011","1066.5","1.9","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H13 N4 O5 Re -","- C24 H13 N4 O5 Re -","- C48 H26 N8 O10 Re2 -","2","1","","Crandall, Laura A.; Bogdanowicz, Catherine A.; Hasheminasab, Abed; Chanawanno, Kullapa; Herrick, Richard S.; Ziegler, Christopher J.","Re(CO)3-Templated Formation of Aza(dibenzo)dipyrromethenes.","Inorganic chemistry","2016","55","7","3209","3211","10.1021/acs.inorgchem.5b02934","","","0.71073","MoKα","","0.0492","0.0427","","","0.1051","0.1097","","","","","","1.022","","","","has coordinates","232234","2020-10-21","18:00:00",""
"4347243","8.4924","0.0003","13.9775","0.0005","18.5942","0.0006","81.245","0.002","86.66","0.002","79.716","0.002","2145.32","0.13","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C23 H16 N7 O3 Re -","- C23 H16 N7 O3 Re -","- C92 H64 N28 O12 Re4 -","4","2","","Crandall, Laura A.; Bogdanowicz, Catherine A.; Hasheminasab, Abed; Chanawanno, Kullapa; Herrick, Richard S.; Ziegler, Christopher J.","Re(CO)3-Templated Formation of Aza(dibenzo)dipyrromethenes.","Inorganic chemistry","2016","55","7","3209","3211","10.1021/acs.inorgchem.5b02934","","","0.71073","MoKα","","0.046","0.0423","","","0.107","0.1099","","","","","","0.985","","","","has coordinates","254024","2020-10-21","18:00:00",""
"4347244","8.465","0.0008","13.9288","0.0014","18.5502","0.0019","81.483","0.004","86.727","0.004","79.797","0.004","2127.8","0.4","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C23 H15 N6 O4 Re -","- C23 H15 N6 O4 Re -","- C92 H60 N24 O16 Re4 -","4","2","","Crandall, Laura A.; Bogdanowicz, Catherine A.; Hasheminasab, Abed; Chanawanno, Kullapa; Herrick, Richard S.; Ziegler, Christopher J.","Re(CO)3-Templated Formation of Aza(dibenzo)dipyrromethenes.","Inorganic chemistry","2016","55","7","3209","3211","10.1021/acs.inorgchem.5b02934","","","0.71073","MoKα","","0.0474","0.0363","","","0.0932","0.1046","","","","","","1.018","","","","has coordinates","254024","2020-10-21","18:00:00",""
"4347245","8.4859","0.0005","11.232","0.0006","22.2437","0.0013","90","","97.282","0.002","90","","2103","0.2","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C23 H14 N5 O5 Re -","- C23 H14 N5 O5 Re -","- C92 H56 N20 O20 Re4 -","4","1","","Crandall, Laura A.; Bogdanowicz, Catherine A.; Hasheminasab, Abed; Chanawanno, Kullapa; Herrick, Richard S.; Ziegler, Christopher J.","Re(CO)3-Templated Formation of Aza(dibenzo)dipyrromethenes.","Inorganic chemistry","2016","55","7","3209","3211","10.1021/acs.inorgchem.5b02934","","","0.71073","MoKα","","0.0268","0.0223","","","0.0437","0.045","","","","","","1.28","","","","has coordinates","232234","2020-10-21","18:00:00",""
"4347246","5.794","0.013","12.06","0.03","16.07","0.04","111.24","0.12","92.08","0.09","93.43","0.11","1043","4","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C24 H26 Fe2 S2 -","- C24 H26 Fe2 S2 -","- C48 H52 Fe4 S4 -","2","1","","Lewtak, Jan P.; Landman, Marilé; Fernández, Israel; Swarts, Jannie C.","A DFT-Elucidated Comparison of the Solution-Phase and SAM Electrochemical Properties of Short-Chain Mercaptoalkylferrocenes: Synthetic and Spectroscopic Aspects, and the Structure of Fc-CH2CH2-S-S-CH2CH2-Fc.","Inorganic chemistry","2016","55","5","2584","2596","10.1021/acs.inorgchem.5b02936","","","0.71073","","","0.0588","0.0553","","","0.1464","0.1497","","","","","","1.035","","","","has coordinates","232235","2020-10-21","18:00:00",""
"4347247","9.221","0.0009","7.9281","0.0008","23.284","0.002","90","","95.854","0.004","90","","1693.3","0.3","193","2","193","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C18 H16 Cl N2 O5 Re -","- C18 H16 Cl N2 O5 Re -","- C72 H64 Cl4 N8 O20 Re4 -","4","1","","Liu, Jinyong; Wu, Dimao; Su, Xiaoge; Han, Mengwei; Kimura, Susana Y.; Gray, Danielle L.; Shapley, John R.; Abu-Omar, Mahdi M; Werth, Charles J.; Strathmann, Timothy J.","Configuration Control in the Synthesis of Homo- and Heteroleptic Bis(oxazolinylphenolato/thiazolinylphenolato) Chelate Ligand Complexes of Oxorhenium(V): Isomer Effect on Ancillary Ligand Exchange Dynamics and Implications for Perchlorate Reduction Catalysis.","Inorganic chemistry","2016","55","5","2597","2611","10.1021/acs.inorgchem.5b02940","","","0.71073","MoKα","","0.0299","0.0285","","","0.0586","0.059","","","","","","1.379","","","","has coordinates","232236","2020-10-21","18:00:00",""
"4347248","17.5402","0.0006","7.427","0.0002","19.393","0.0006","90","","110.2","0.001","90","","2370.96","0.13","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C25 H24 Cl N2 O5 Re -","- C25 H24 Cl N2 O5 Re -","- C100 H96 Cl4 N8 O20 Re4 -","4","1","","Liu, Jinyong; Wu, Dimao; Su, Xiaoge; Han, Mengwei; Kimura, Susana Y.; Gray, Danielle L.; Shapley, John R.; Abu-Omar, Mahdi M; Werth, Charles J.; Strathmann, Timothy J.","Configuration Control in the Synthesis of Homo- and Heteroleptic Bis(oxazolinylphenolato/thiazolinylphenolato) Chelate Ligand Complexes of Oxorhenium(V): Isomer Effect on Ancillary Ligand Exchange Dynamics and Implications for Perchlorate Reduction Catalysis.","Inorganic chemistry","2016","55","5","2597","2611","10.1021/acs.inorgchem.5b02940","","","1.54178","CuKα","","0.0217","0.0214","","","0.0554","0.0557","","","","","","1.138","","","","has coordinates","232236","2020-10-21","18:00:00",""
"4347249","9.8742","0.0008","15.0566","0.0012","13.6439","0.0011","90","","90.136","0.001","90","","2028.5","0.3","188","2","188","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C18 H18 Cl3 N2 O5 Re -","- C18 H18 Cl3 N2 O5 Re -","- C72 H72 Cl12 N8 O20 Re4 -","4","1","","Liu, Jinyong; Wu, Dimao; Su, Xiaoge; Han, Mengwei; Kimura, Susana Y.; Gray, Danielle L.; Shapley, John R.; Abu-Omar, Mahdi M; Werth, Charles J.; Strathmann, Timothy J.","Configuration Control in the Synthesis of Homo- and Heteroleptic Bis(oxazolinylphenolato/thiazolinylphenolato) Chelate Ligand Complexes of Oxorhenium(V): Isomer Effect on Ancillary Ligand Exchange Dynamics and Implications for Perchlorate Reduction Catalysis.","Inorganic chemistry","2016","55","5","2597","2611","10.1021/acs.inorgchem.5b02940","","","0.71073","MoKα","","0.0164","0.0152","","","0.0366","0.0372","","","","","","1.052","","","","has coordinates","232236","2020-10-21","18:00:00",""
"4347250","9.4422","0.0008","8.0051","0.0007","24.614","0.002","90","","93.041","0.003","90","","1857.8","0.3","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C18 H16 Cl N2 O3 Re S2 -","- C18 H16 Cl N2 O3 Re S2 -","- C72 H64 Cl4 N8 O12 Re4 S8 -","4","1","","Liu, Jinyong; Wu, Dimao; Su, Xiaoge; Han, Mengwei; Kimura, Susana Y.; Gray, Danielle L.; Shapley, John R.; Abu-Omar, Mahdi M; Werth, Charles J.; Strathmann, Timothy J.","Configuration Control in the Synthesis of Homo- and Heteroleptic Bis(oxazolinylphenolato/thiazolinylphenolato) Chelate Ligand Complexes of Oxorhenium(V): Isomer Effect on Ancillary Ligand Exchange Dynamics and Implications for Perchlorate Reduction Catalysis.","Inorganic chemistry","2016","55","5","2597","2611","10.1021/acs.inorgchem.5b02940","","","0.71073","MoKα","","0.0265","0.0262","","","0.0551","0.0552","","","","","","1.332","","","","has coordinates","232236","2020-10-21","18:00:00",""
"4347251","16.2996","0.0006","7.5281","0.0002","16.4903","0.0006","90","","111.766","0.0012","90","","1879.18","0.11","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C18 H16 Cl N2 O3 Re S2 -","- C18 H16 Cl N2 O3 Re S2 -","- C72 H64 Cl4 N8 O12 Re4 S8 -","4","1","","Liu, Jinyong; Wu, Dimao; Su, Xiaoge; Han, Mengwei; Kimura, Susana Y.; Gray, Danielle L.; Shapley, John R.; Abu-Omar, Mahdi M; Werth, Charles J.; Strathmann, Timothy J.","Configuration Control in the Synthesis of Homo- and Heteroleptic Bis(oxazolinylphenolato/thiazolinylphenolato) Chelate Ligand Complexes of Oxorhenium(V): Isomer Effect on Ancillary Ligand Exchange Dynamics and Implications for Perchlorate Reduction Catalysis.","Inorganic chemistry","2016","55","5","2597","2611","10.1021/acs.inorgchem.5b02940","","","0.71073","MoKα","","0.025","0.0184","","","0.0371","0.0388","","","","","","1.086","","","","has coordinates","232236","2020-10-21","18:00:00",""
"4347252","8.1795","0.0004","9.8471","0.0004","16.8728","0.0008","104.379","0.0017","101.345","0.0018","98.789","0.0018","1261.29","0.1","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C22 H30 Cl3 N2 O2 Re S -","- C22 H30 Cl3 N2 O2 Re S -","- C44 H60 Cl6 N4 O4 Re2 S2 -","2","1","","Liu, Jinyong; Wu, Dimao; Su, Xiaoge; Han, Mengwei; Kimura, Susana Y.; Gray, Danielle L.; Shapley, John R.; Abu-Omar, Mahdi M; Werth, Charles J.; Strathmann, Timothy J.","Configuration Control in the Synthesis of Homo- and Heteroleptic Bis(oxazolinylphenolato/thiazolinylphenolato) Chelate Ligand Complexes of Oxorhenium(V): Isomer Effect on Ancillary Ligand Exchange Dynamics and Implications for Perchlorate Reduction Catalysis.","Inorganic chemistry","2016","55","5","2597","2611","10.1021/acs.inorgchem.5b02940","","","0.71073","MoKα","","0.0164","0.0142","","","0.0308","0.0314","","","","","","1.072","","","","has coordinates","232236","2020-10-21","18:00:00",""
"4347253","9.2555","0.0008","8.0421","0.0007","24.075","0.002","90","","94.944","0.004","90","","1785.3","0.3","173","2","173","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C18 H16 Cl N2 O4 Re S -","- C18 H16 Cl N2 O4 Re S -","- C72 H64 Cl4 N8 O16 Re4 S4 -","4","1","","Liu, Jinyong; Wu, Dimao; Su, Xiaoge; Han, Mengwei; Kimura, Susana Y.; Gray, Danielle L.; Shapley, John R.; Abu-Omar, Mahdi M; Werth, Charles J.; Strathmann, Timothy J.","Configuration Control in the Synthesis of Homo- and Heteroleptic Bis(oxazolinylphenolato/thiazolinylphenolato) Chelate Ligand Complexes of Oxorhenium(V): Isomer Effect on Ancillary Ligand Exchange Dynamics and Implications for Perchlorate Reduction Catalysis.","Inorganic chemistry","2016","55","5","2597","2611","10.1021/acs.inorgchem.5b02940","","","0.71073","MoKα","","0.0298","0.0249","","","0.0496","0.0511","","","","","","1.068","","","","has coordinates","232236","2020-10-21","18:00:00",""
"4347254","11.8818","0.0003","13.6186","0.0004","14.7507","0.0004","108.162","0.001","93.386","0.001","99.329","0.001","2222.61","0.11","188","2","188","2","","","","","","","","7","P -1","-P 1","2","","","","- C19 H18 F3 N2 O9 Re S -","- C19 H18 F3 N2 O9 Re S -","- C76 H72 F12 N8 O36 Re4 S4 -","4","2","","Liu, Jinyong; Wu, Dimao; Su, Xiaoge; Han, Mengwei; Kimura, Susana Y.; Gray, Danielle L.; Shapley, John R.; Abu-Omar, Mahdi M; Werth, Charles J.; Strathmann, Timothy J.","Configuration Control in the Synthesis of Homo- and Heteroleptic Bis(oxazolinylphenolato/thiazolinylphenolato) Chelate Ligand Complexes of Oxorhenium(V): Isomer Effect on Ancillary Ligand Exchange Dynamics and Implications for Perchlorate Reduction Catalysis.","Inorganic chemistry","2016","55","5","2597","2611","10.1021/acs.inorgchem.5b02940","","","0.71073","MoKα","","0.0189","0.0166","","","0.0394","0.0404","","","","","","1.041","","","","has coordinates","232236","2020-10-21","18:00:00",""
"4347255","15.7496","0.0004","15.7496","0.0004","35.867","0.002","90","","90","","90","","8896.8","0.6","293","2","293","2","","","","","","","","7","P 41 21 2","P 4abw 2nw","92","","","","- C34 H40 Cl2 N2 O9 P2 Zn2 -","- C34 H40 Cl2 N2 O9 P2 Zn2 -","- C272 H320 Cl16 N16 O72 P16 Zn16 -","8","1","","Dar, Aijaz A.; Bhat, Gulzar A.; Murugavel, Ramaswamy","Dimensionality Alteration and Intra- versus Inter-SBU Void Encapsulation in Zinc Phosphate Frameworks.","Inorganic chemistry","2016","55","11","5180","5190","10.1021/acs.inorgchem.5b02949","","","0.71073","MoKα","","0.0617","0.0512","","","0.1451","0.149","","","","","","1.052","","","","has coordinates","232237","2020-10-21","18:00:00",""
"4347256","15.7636","0.0017","15.7636","0.0017","36.843","0.004","90","","90","","90","","9155.2","1.7","150","2","150","2","","","","","","","","7","P 41 21 2","P 4abw 2nw","92","","","","- C36 H40 Br2 N2 O11 P2 Zn2 -","- C36 H40 Br2 N2 O11 P2 Zn2 -","- C288 H320 Br16 N16 O88 P16 Zn16 -","8","1","","Dar, Aijaz A.; Bhat, Gulzar A.; Murugavel, Ramaswamy","Dimensionality Alteration and Intra- versus Inter-SBU Void Encapsulation in Zinc Phosphate Frameworks.","Inorganic chemistry","2016","55","11","5180","5190","10.1021/acs.inorgchem.5b02949","","","0.71075","MoKα","","0.0536","0.0532","","","0.1516","0.152","","","","","","1.149","","","","has coordinates","232237","2020-10-21","18:00:00",""
"4347257","27.581","0.005","27.581","0.005","43.468","0.008","90","","90","","90","","33067","10","150","2","150","2","","","","","","","","7","I -4 2 d","I -4 2bw","122","","","","- C136 H168 F N8 O36 P8 Zn8 -","- C136 H168 F N8 O36 P8 Zn8 -","- C544 H672 F4 N32 O144 P32 Zn32 -","4","0.25","","Dar, Aijaz A.; Bhat, Gulzar A.; Murugavel, Ramaswamy","Dimensionality Alteration and Intra- versus Inter-SBU Void Encapsulation in Zinc Phosphate Frameworks.","Inorganic chemistry","2016","55","11","5180","5190","10.1021/acs.inorgchem.5b02949","","","0.71075","MoKα","","0.1054","0.0962","","","0.2804","0.2914","","","","","","1.141","","","","has coordinates","232237","2020-10-21","18:00:00",""
"4347258","15.121","0.007","15.009","0.007","21.587","0.009","102.69","0.006","102.475","0.002","109.882","0.006","4263","3","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C82 H89 N4 O20 P4 Zn4 -","- C82 H89 N4 O20 P4 Zn4 -","- C164 H178 N8 O40 P8 Zn8 -","2","1","","Dar, Aijaz A.; Bhat, Gulzar A.; Murugavel, Ramaswamy","Dimensionality Alteration and Intra- versus Inter-SBU Void Encapsulation in Zinc Phosphate Frameworks.","Inorganic chemistry","2016","55","11","5180","5190","10.1021/acs.inorgchem.5b02949","","","0.71075","MoKα","","0.11","0.077","","","0.2357","0.3148","","","","","","1.17","","","","has coordinates,has disorder","232237","2020-10-21","18:00:00",""
"4347259","13.5263","0.0009","13.5263","0.0009","8.0567","0.0005","90","","90","","120","","1276.57","0.14","293","2","293","2","","","","","","","","5","P 63","P 6c","173","","","","- C5 H9 Mn1.33 N4 O3 -","- C5 H7 Mn1.33333 N4 O3 -","- C30 H42 Mn8 N24 O18 -","6","1","","Li, Li; Nishihara, Sadafumi; Inoue, Katsuya; Kurmoo, Mohamedally","Progressive Transformation between Two Magnetic Ground States for One Crystal Structure of a Chiral Molecular Magnet.","Inorganic chemistry","2016","55","6","3047","3057","10.1021/acs.inorgchem.5b02956","","","0.71073","MoKα","","0.0193","0.019","","","0.0564","0.0566","","","","","","1.156","","","","has coordinates","232238","2020-10-21","18:00:00",""
"4347260","13.5068","0.0008","13.5068","0.0008","8.0676","0.0005","90","","90","","120","","1274.62","0.13","293","2","293","2","","","","","","","","5","P 63","P 6c","173","","","","- C5 H9 Mn1.33 N4 O3 -","- C5 H7 Mn1.33333 N4 O3 -","- C30 H42 Mn8 N24 O18 -","6","1","","Li, Li; Nishihara, Sadafumi; Inoue, Katsuya; Kurmoo, Mohamedally","Progressive Transformation between Two Magnetic Ground States for One Crystal Structure of a Chiral Molecular Magnet.","Inorganic chemistry","2016","55","6","3047","3057","10.1021/acs.inorgchem.5b02956","","","0.71073","MoKα","","0.018","0.0179","","","0.0518","0.0519","","","","","","1.124","","","","has coordinates","232238","2020-10-21","18:00:00",""
"4347261","13.5114","0.0014","13.5114","0.0014","8.0589","0.0008","90","","90","","120","","1274.1","0.2","293","2","293","2","","","","","","","","5","P 63","P 6c","173","","","","- C5 H9 Mn1.33 N4 O3 -","- C5 H7 Mn1.33333 N4 O3 -","- C30 H42 Mn8 N24 O18 -","6","1","","Li, Li; Nishihara, Sadafumi; Inoue, Katsuya; Kurmoo, Mohamedally","Progressive Transformation between Two Magnetic Ground States for One Crystal Structure of a Chiral Molecular Magnet.","Inorganic chemistry","2016","55","6","3047","3057","10.1021/acs.inorgchem.5b02956","","","0.71073","MoKα","","0.0186","0.0184","","","0.0535","0.0536","","","","","","1.156","","","","has coordinates","232238","2020-10-21","18:00:00",""
"4347262","13.5324","0.0005","13.5324","0.0005","8.0668","0.0003","90","","90","","120","","1279.33","0.08","293","2","293","2","","","","","","","","5","P 63","P 6c","173","","","","- C5 H9 Mn1.33 N4 O3 -","- C5 H7 Mn1.33333 N4 O3 -","- C30 H42 Mn8 N24 O18 -","6","1","","Li, Li; Nishihara, Sadafumi; Inoue, Katsuya; Kurmoo, Mohamedally","Progressive Transformation between Two Magnetic Ground States for One Crystal Structure of a Chiral Molecular Magnet.","Inorganic chemistry","2016","55","6","3047","3057","10.1021/acs.inorgchem.5b02956","","","0.71073","MoKα","","0.0253","0.0225","","","0.0534","0.0545","","","","","","1.105","","","","has coordinates","232238","2020-10-21","18:00:00",""
"4347263","13.5293","0.0012","13.5293","0.0012","8.0707","0.0008","90","","90","","120","","1279.4","0.2","293","2","293","2","","","","","","","","5","P 63","P 6c","173","","","","- C5 H9 Mn1.33 N4 O3 -","- C5 H7 Mn1.33333 N4 O3 -","- C30 H42 Mn8 N24 O18 -","6","1","","Li, Li; Nishihara, Sadafumi; Inoue, Katsuya; Kurmoo, Mohamedally","Progressive Transformation between Two Magnetic Ground States for One Crystal Structure of a Chiral Molecular Magnet.","Inorganic chemistry","2016","55","6","3047","3057","10.1021/acs.inorgchem.5b02956","","","0.71073","MoKα","","0.0283","0.0248","","","0.0604","0.0625","","","","","","1.13","","","","has coordinates","232238","2020-10-21","18:00:00",""
"4347264","13.5274","0.0012","13.5274","0.0012","8.0726","0.0008","90","","90","","120","","1279.3","0.2","293","2","293","2","","","","","","","","5","P 63","P 6c","173","","","","- C5 H9 Mn1.33 N4 O3 -","- C5 H7 Mn1.33333 N4 O3 -","- C30 H42 Mn8 N24 O18 -","6","1","","Li, Li; Nishihara, Sadafumi; Inoue, Katsuya; Kurmoo, Mohamedally","Progressive Transformation between Two Magnetic Ground States for One Crystal Structure of a Chiral Molecular Magnet.","Inorganic chemistry","2016","55","6","3047","3057","10.1021/acs.inorgchem.5b02956","","","0.71073","MoKα","","0.0258","0.0238","","","0.0613","0.0621","","","","","","1.101","","","","has coordinates","232238","2020-10-21","18:00:00",""
"4347265","13.5329","0.0016","13.5329","0.0016","8.0816","0.001","90","","90","","120","","1281.8","0.3","293","2","293","2","","","","","","","","5","P 63","P 6c","173","","","","- C5 H9 Mn1.33 N4 O3 -","- C5 H7 Mn1.33333 N4 O3 -","- C30 H42 Mn8 N24 O18 -","6","1","","Li, Li; Nishihara, Sadafumi; Inoue, Katsuya; Kurmoo, Mohamedally","Progressive Transformation between Two Magnetic Ground States for One Crystal Structure of a Chiral Molecular Magnet.","Inorganic chemistry","2016","55","6","3047","3057","10.1021/acs.inorgchem.5b02956","","","0.71073","MoKα","","0.0255","0.0247","","","0.0652","0.0654","","","","","","1.161","","","","has coordinates","232238","2020-10-21","18:00:00",""
"4347266","13.5214","0.0011","13.5214","0.0011","8.0686","0.0006","90","","90","","120","","1277.53","0.18","293","2","293","2","","","","","","","","5","P 63","P 6c","173","","","","- C5 H9 Mn1.33 N4 O3 -","- C5 H7 Mn1.33333 N4 O3 -","- C30 H42 Mn8 N24 O18 -","6","1","","Li, Li; Nishihara, Sadafumi; Inoue, Katsuya; Kurmoo, Mohamedally","Progressive Transformation between Two Magnetic Ground States for One Crystal Structure of a Chiral Molecular Magnet.","Inorganic chemistry","2016","55","6","3047","3057","10.1021/acs.inorgchem.5b02956","","","0.71073","MoKα","","0.0329","0.0266","","","0.0552","0.0569","","","","","","1.087","","","","has coordinates","232238","2020-10-21","18:00:00",""
"4347267","13.6013","0.0005","13.6013","0.0005","8.1404","0.0003","90","","90","","120","","1304.18","0.08","103","2","103","2","","","","","","","","6","P 63","P 6c","173","","","","- C5 H9 Cr0.33 Mn N4 O3 -","- C5 H7 Cr0.333333 Mn N4 O3 -","- C30 H42 Cr2 Mn6 N24 O18 -","6","1","","Li, Li; Nishihara, Sadafumi; Inoue, Katsuya; Kurmoo, Mohamedally","Progressive Transformation between Two Magnetic Ground States for One Crystal Structure of a Chiral Molecular Magnet.","Inorganic chemistry","2016","55","6","3047","3057","10.1021/acs.inorgchem.5b02956","","","0.71073","MoKα","","0.0439","0.0351","","","0.085","0.1075","","","","","","1.149","","","","has coordinates","232239","2020-10-21","18:00:00",""
"4347268","13.6093","0.0005","13.6093","0.0005","8.1609","0.0003","90","","90","","120","","1309","0.08","203","2","203","2","","","","","","","","6","P 63","P 6c","173","","","","- C5 H9 Cr0.33 Mn N4 O3 -","- C5 H7 Cr0.333333 Mn N4 O3 -","- C30 H42 Cr2 Mn6 N24 O18 -","6","1","","Li, Li; Nishihara, Sadafumi; Inoue, Katsuya; Kurmoo, Mohamedally","Progressive Transformation between Two Magnetic Ground States for One Crystal Structure of a Chiral Molecular Magnet.","Inorganic chemistry","2016","55","6","3047","3057","10.1021/acs.inorgchem.5b02956","","","0.71073","MoKα","","0.0456","0.0356","","","0.0904","0.1127","","","","","","1.178","","","","has coordinates","232239","2020-10-21","18:00:00",""
"4347269","13.6144","0.0005","13.6144","0.0005","8.1842","0.0003","90","","90","","120","","1313.72","0.08","293","2","293","2","","","","","","","","6","P 63","P 6c","173","","","","- C5 H9 Cr0.33 Mn N4 O3 -","- C5 H7 Cr0.333333 Mn N4 O3 -","- C30 H42 Cr2 Mn6 N24 O18 -","6","1","","Li, Li; Nishihara, Sadafumi; Inoue, Katsuya; Kurmoo, Mohamedally","Progressive Transformation between Two Magnetic Ground States for One Crystal Structure of a Chiral Molecular Magnet.","Inorganic chemistry","2016","55","6","3047","3057","10.1021/acs.inorgchem.5b02956","","","0.71073","MoKα","","0.0465","0.0351","","","0.0898","0.11","","","","","","1.177","","","","has coordinates","232239","2020-10-21","18:00:00",""
"4347270","13.5739","0.0005","13.5739","0.0005","8.1156","0.0003","90","","90","","120","","1294.97","0.08","403","2","403","2","","","","","","","","6","P 63","P 6c","173","","","","- C5 H8 Cr0.33 Mn N4 O2.5 -","- C5 H7 Cr0.333333 Mn N4 O2.48 -","- C30 H42 Cr2 Mn6 N24 O14.88 -","6","1","","Li, Li; Nishihara, Sadafumi; Inoue, Katsuya; Kurmoo, Mohamedally","Progressive Transformation between Two Magnetic Ground States for One Crystal Structure of a Chiral Molecular Magnet.","Inorganic chemistry","2016","55","6","3047","3057","10.1021/acs.inorgchem.5b02956","","","0.71073","MoKα","","0.075","0.0542","","","0.1404","0.1667","","","","","","1.058","","","","has coordinates","232239","2020-10-21","18:00:00",""
"4347271","13.5576","0.0005","13.5576","0.0005","8.0994","0.0003","90","","90","","120","","1289.29","0.08","293","2","293","2","","","","","","","","6","P 63","P 6c","173","","","","- C5 H8 Cr0.33 Mn N4 O2.5 -","- C5 H7 Cr0.333333 Mn N4 O2.46667 -","- C30 H42 Cr2 Mn6 N24 O14.8 -","6","1","","Li, Li; Nishihara, Sadafumi; Inoue, Katsuya; Kurmoo, Mohamedally","Progressive Transformation between Two Magnetic Ground States for One Crystal Structure of a Chiral Molecular Magnet.","Inorganic chemistry","2016","55","6","3047","3057","10.1021/acs.inorgchem.5b02956","","","0.71073","MoKα","","0.0715","0.0541","","","0.1424","0.1674","","","","","","1.119","","","","has coordinates","232239","2020-10-21","18:00:00",""
"4347272","13.5392","0.0005","13.5392","0.0005","8.0692","0.0003","90","","90","","120","","1280.99","0.08","103","2","103","2","","","","","","","","6","P 63","P 6c","173","","","","- C5 H8 Cr0.33 Mn N4 O2.5 -","- C5 H7 Cr0.333333 Mn N4 O2.46667 -","- C30 H42 Cr2 Mn6 N24 O14.8 -","6","1","","Li, Li; Nishihara, Sadafumi; Inoue, Katsuya; Kurmoo, Mohamedally","Progressive Transformation between Two Magnetic Ground States for One Crystal Structure of a Chiral Molecular Magnet.","Inorganic chemistry","2016","55","6","3047","3057","10.1021/acs.inorgchem.5b02956","","","0.71073","MoKα","","0.0652","0.0536","","","0.1416","0.1662","","","","","","1.12","","","","has coordinates","232239","2020-10-21","18:00:00",""
"4347273","13.5554","0.0005","13.5554","0.0005","8.1351","0.0003","90","","90","","120","","1294.55","0.08","423","2","423","2","","","","","","","","6","P 63","P 6c","173","","","","- C5 H8 Cr0.33 Mn N4 O2.5 -","- C5 H7 Cr0.333333 Mn N4 O2.47 -","- C30 H42 Cr2 Mn6 N24 O14.82 -","6","1","","Li, Li; Nishihara, Sadafumi; Inoue, Katsuya; Kurmoo, Mohamedally","Progressive Transformation between Two Magnetic Ground States for One Crystal Structure of a Chiral Molecular Magnet.","Inorganic chemistry","2016","55","6","3047","3057","10.1021/acs.inorgchem.5b02956","","","0.71073","MoKα","","0.0847","0.0617","","","0.161","0.1884","","","","","","1.072","","","","has coordinates","232239","2020-10-21","18:00:00",""
"4347274","13.5416","0.0005","13.5416","0.0005","8.114","0.0003","90","","90","","120","","1288.56","0.08","293","2","293","2","","","","","","","","6","P 63","P 6c","173","","","","- C5 H8 Cr0.33 Mn N4 O2.5 -","- C5 H7 Cr0.333333 Mn N4 O2.46667 -","- C30 H42 Cr2 Mn6 N24 O14.8 -","6","1","","Li, Li; Nishihara, Sadafumi; Inoue, Katsuya; Kurmoo, Mohamedally","Progressive Transformation between Two Magnetic Ground States for One Crystal Structure of a Chiral Molecular Magnet.","Inorganic chemistry","2016","55","6","3047","3057","10.1021/acs.inorgchem.5b02956","","","0.71073","MoKα","","0.0771","0.0591","","","0.1565","0.1836","","","","","","1.084","","","","has coordinates","232239","2020-10-21","18:00:00",""
"4347275","13.6206","0.0005","13.6206","0.0005","8.1751","0.0003","90","","90","","120","","1313.46","0.08","293","2","293","2","","","","","","","","6","P 63","P 6c","173","","","","- C5 H9 Cr0.33 Mn N4 O3 -","- C5 H7 Cr0.333333 Mn N4 O3 -","- C30 H42 Cr2 Mn6 N24 O18 -","6","1","","Li, Li; Nishihara, Sadafumi; Inoue, Katsuya; Kurmoo, Mohamedally","Progressive Transformation between Two Magnetic Ground States for One Crystal Structure of a Chiral Molecular Magnet.","Inorganic chemistry","2016","55","6","3047","3057","10.1021/acs.inorgchem.5b02956","","","0.71073","MoKα","","0.0484","0.0375","","","0.0853","0.0925","","","","","","1.135","","","","has coordinates","232239","2020-10-21","18:00:00",""
"4347276","13.4917","0.0009","13.4917","0.0009","8.0644","0.0005","90","","90","","120","","1271.26","0.14","293","2","293","2","","","","","","","","5","P 63","P 6c","173","","","","- C5 H9 Mn1.33 N4 O3 -","- C5 H7 Mn1.33333 N4 O3 -","- C30 H42 Mn8 N24 O18 -","6","1","","Li, Li; Nishihara, Sadafumi; Inoue, Katsuya; Kurmoo, Mohamedally","Progressive Transformation between Two Magnetic Ground States for One Crystal Structure of a Chiral Molecular Magnet.","Inorganic chemistry","2016","55","6","3047","3057","10.1021/acs.inorgchem.5b02956","","","0.71073","MoKα","","0.0209","0.0204","","","0.0527","0.0529","","","","","","1.105","","","","has coordinates","232240","2020-10-21","18:00:00",""
"4347277","13.475","0.0009","13.475","0.0009","8.0291","0.0005","90","","90","","120","","1262.57","0.14","293","2","293","2","","","","","","","","5","P 63","P 6c","173","","","","- C5 H8 Mn1.33 N4 O2.5 -","- C5 H7 Mn1.33333 N4 O2.67 -","- C30 H42 Mn8 N24 O16.02 -","6","1","","Li, Li; Nishihara, Sadafumi; Inoue, Katsuya; Kurmoo, Mohamedally","Progressive Transformation between Two Magnetic Ground States for One Crystal Structure of a Chiral Molecular Magnet.","Inorganic chemistry","2016","55","6","3047","3057","10.1021/acs.inorgchem.5b02956","","","0.71073","MoKα","","0.0187","0.0183","","","0.0462","0.0464","","","","","","1.122","","","","has coordinates","232240","2020-10-21","18:00:00",""
"4347278","13.5105","0.0009","13.5105","0.0009","8.0463","0.0005","90","","90","","120","","1271.95","0.14","293","2","296","2","","","","","","","","5","P 63","P 6c","173","","","","- C5 H9 Mn1.33 N4 O3 -","- C5 H7 Mn1.33333 N4 O3 -","- C30 H42 Mn8 N24 O18 -","6","1","","Li, Li; Nishihara, Sadafumi; Inoue, Katsuya; Kurmoo, Mohamedally","Progressive Transformation between Two Magnetic Ground States for One Crystal Structure of a Chiral Molecular Magnet.","Inorganic chemistry","2016","55","6","3047","3057","10.1021/acs.inorgchem.5b02956","","","0.71073","MoKα","","0.031","0.0263","","","0.0577","0.0599","","","","","","1.137","","","","has coordinates","232240","2020-10-21","18:00:00",""
"4347279","13.516","0.0012","13.516","0.0012","8.0533","0.0008","90","","90","","120","","1274.1","0.2","293","2","293","2","","","","","","","","5","P 63","P 6c","173","","","","- C5 H9 Mn1.33 N4 O3 -","- C5 H7 Mn1.33333 N4 O3 -","- C30 H42 Mn8 N24 O18 -","6","1","","Li, Li; Nishihara, Sadafumi; Inoue, Katsuya; Kurmoo, Mohamedally","Progressive Transformation between Two Magnetic Ground States for One Crystal Structure of a Chiral Molecular Magnet.","Inorganic chemistry","2016","55","6","3047","3057","10.1021/acs.inorgchem.5b02956","","","0.71073","MoKα","","0.0336","0.0268","","","0.0533","0.0552","","","","","","1.105","","","","has coordinates","232240","2020-10-21","18:00:00",""
"4347280","13.4873","0.0012","13.4873","0.0012","8.0256","0.0008","90","","90","","120","","1264.3","0.2","293","2","293","2","","","","","","","","5","P 63","P 6c","173","","","","- C5 H8 Mn1.33 N4 O2.5 -","- C5 H7 Mn1.33333 N4 O2.81667 -","- C30 H42 Mn8 N24 O16.9 -","6","1","","Li, Li; Nishihara, Sadafumi; Inoue, Katsuya; Kurmoo, Mohamedally","Progressive Transformation between Two Magnetic Ground States for One Crystal Structure of a Chiral Molecular Magnet.","Inorganic chemistry","2016","55","6","3047","3057","10.1021/acs.inorgchem.5b02956","","","0.71073","MoKα","","0.0325","0.0257","","","0.0525","0.0544","","","","","","1.062","","","","has coordinates","232240","2020-10-21","18:00:00",""
"4347281","13.4846","0.0012","13.4846","0.0012","8.032","0.0008","90","","90","","120","","1264.8","0.2","293","2","293","2","","","","","","","","5","P 63","P 6c","173","","","","- C5 H9 Mn1.33 N4 O3 -","- C5 H7 Mn1.33333 N4 O3 -","- C30 H42 Mn8 N24 O18 -","6","1","","Li, Li; Nishihara, Sadafumi; Inoue, Katsuya; Kurmoo, Mohamedally","Progressive Transformation between Two Magnetic Ground States for One Crystal Structure of a Chiral Molecular Magnet.","Inorganic chemistry","2016","55","6","3047","3057","10.1021/acs.inorgchem.5b02956","","","0.71073","MoKα","","0.0429","0.0302","","","0.0562","0.06","","","","","","1.099","","","","has coordinates","232240","2020-10-21","18:00:00",""
"4347282","9.419","0.006","13.972","0.009","12.585","0.008","90","","90.81","0.01","90","","1656","1.8","293","2","293","2","","","","","","","","6","P 1 c 1","P -2yc","7","","","","- C28 H41 N5 O11 S2 Zn -","- C28 H41 N5 O11 S2 Zn -","- C56 H82 N10 O22 S4 Zn2 -","2","1","","Wen, Yuehong; Sheng, Tianlu; Zhuo, Chao; Zhu, Xiaoquan; Hu, Shengmin; Cao, Wenhai; Li, Haoran; Zhang, Hao; Wu, Xintao","1D to 3D and Chiral to Noncentrosymmetric Metal-Organic Complexes Controlled by the Amount of DEF Solvent: Photoluminescent and NLO Properties.","Inorganic chemistry","2016","55","9","4199","4205","10.1021/acs.inorgchem.5b02961","","","0.71073","MoKα","","0.0933","0.0714","","","0.1684","0.1828","","","","","","1.048","","","","has coordinates","232241","2020-10-21","18:00:00",""
"4347283","9.114","0.004","23.93","0.009","9.382","0.006","90","","118.185","0.006","90","","1803.6","1.6","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C29 H45 N5 O12 S2 Zn -","- C29 H45 N5 O12 S2 Zn -","- C58 H90 N10 O24 S4 Zn2 -","2","1","","Wen, Yuehong; Sheng, Tianlu; Zhuo, Chao; Zhu, Xiaoquan; Hu, Shengmin; Cao, Wenhai; Li, Haoran; Zhang, Hao; Wu, Xintao","1D to 3D and Chiral to Noncentrosymmetric Metal-Organic Complexes Controlled by the Amount of DEF Solvent: Photoluminescent and NLO Properties.","Inorganic chemistry","2016","55","9","4199","4205","10.1021/acs.inorgchem.5b02961","","","0.71073","MoKα","","0.0432","0.0353","","","0.0765","0.0809","","","","","","0.931","","","","has coordinates","232241","2020-10-21","18:00:00",""
"4347284","9.11","0.002","23.907","0.005","9.373","0.002","90","","118.197","0.004","90","","1799.1","0.7","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C29 H45 N5 O12 S2 Zn -","- C29 H45 N5 O12 S2 Zn -","- C58 H90 N10 O24 S4 Zn2 -","2","1","","Wen, Yuehong; Sheng, Tianlu; Zhuo, Chao; Zhu, Xiaoquan; Hu, Shengmin; Cao, Wenhai; Li, Haoran; Zhang, Hao; Wu, Xintao","1D to 3D and Chiral to Noncentrosymmetric Metal-Organic Complexes Controlled by the Amount of DEF Solvent: Photoluminescent and NLO Properties.","Inorganic chemistry","2016","55","9","4199","4205","10.1021/acs.inorgchem.5b02961","","","0.71073","MoKα","","0.0383","0.0282","","","0.0573","0.0596","","","","","","0.93","","","","has coordinates","232241","2020-10-21","18:00:00",""
"4347285","9.434","0.007","16.599","0.012","18.562","0.013","90","","97.731","0.013","90","","2880","4","293","2","293","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C24 H32 N4 O10 S2 Zn -","- C24 H32 N4 O10 S2 Zn -","- C96 H128 N16 O40 S8 Zn4 -","4","1","","Wen, Yuehong; Sheng, Tianlu; Zhuo, Chao; Zhu, Xiaoquan; Hu, Shengmin; Cao, Wenhai; Li, Haoran; Zhang, Hao; Wu, Xintao","1D to 3D and Chiral to Noncentrosymmetric Metal-Organic Complexes Controlled by the Amount of DEF Solvent: Photoluminescent and NLO Properties.","Inorganic chemistry","2016","55","9","4199","4205","10.1021/acs.inorgchem.5b02961","","","0.71073","MoKα","","0.0502","0.043","","","0.1044","0.1098","","","","","","0.988","","","","has coordinates","232241","2020-10-21","18:00:00",""
"4347286","14.8367","0.00012","14.15225","0.0001","15.38219","0.00011","90","","106.734","0.0008","90","","3093.07","0.04","183","1","183","1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Bis[(4-<i>tert</i>-butylphenyl)ethynyl][1-(1-methyethyl)-3-(pyridin-2-yl-κ<i>N</i>)-2,3-dihydro-1H-imidazol-2-yl-κ<i>C</i>^2^] platinum(II)","","- C35 H39 N3 Pt -","- C35 H39 N3 Pt -","- C140 H156 N12 Pt4 -","4","1","","Bachmann, Michael; Suter, Dominik; Blacque, Olivier; Venkatesan, Koushik","Tunable and Efficient White Light Phosphorescent Emission Based on Single Component N-Heterocyclic Carbene Platinum(II) Complexes.","Inorganic chemistry","2016","55","10","4733","4745","10.1021/acs.inorgchem.5b02962","","x-ray","0.71073","MoKα","","0.031","0.0264","","","0.0555","0.0577","","","","","","1.114","","","","has coordinates","232242","2020-10-21","18:00:00",""
"4347287","10.2144","0.0003","16.6314","0.0006","26.3951","0.0008","90","","90","","90","","4484","0.2","183","1","183","1","","","","","","","","4","P b c a","-P 2ac 2ab","61","","[1-(1-methyethyl)-3-(pyridin-2-yl-κ<i>N</i>)-2,3-dihydro-1<i>H</i>-imidazol-2-yl-κ<i>C</i>^2^][bis(phenylethynyl)] platinum(II)","","- C27 H23 N3 Pt -","- C27 H23 N3 Pt -","- C216 H184 N24 Pt8 -","8","1","","Bachmann, Michael; Suter, Dominik; Blacque, Olivier; Venkatesan, Koushik","Tunable and Efficient White Light Phosphorescent Emission Based on Single Component N-Heterocyclic Carbene Platinum(II) Complexes.","Inorganic chemistry","2016","55","10","4733","4745","10.1021/acs.inorgchem.5b02962","","","0.71073","MoKα","","0.0572","0.0464","","","0.0782","0.0817","","","","","","1.239","","","","has coordinates","232243","2020-10-21","18:00:00",""
"4347288","12.2534","0.0004","14.7691","0.0005","14.9032","0.0004","112.588","0.003","105.915","0.003","97.166","0.003","2312.93","0.15","183","1","183","1","","","","","","","","5","P -1","-P 1","2","","Bis[(4-<i>tert</i>-butylphenyl)ethynyl][1-(1-methyethyl)-3-(pyridin-2-yl-κ<i>N</i>)-2,3-dihydro-1H-imidazol-2-yl-κ<i>C</i>^2^] platinum(II)","","- C27 H21 F2 N3 Pt -","- C27 H21 F2 N3 Pt -","- C108 H84 F8 N12 Pt4 -","4","2","","Bachmann, Michael; Suter, Dominik; Blacque, Olivier; Venkatesan, Koushik","Tunable and Efficient White Light Phosphorescent Emission Based on Single Component N-Heterocyclic Carbene Platinum(II) Complexes.","Inorganic chemistry","2016","55","10","4733","4745","10.1021/acs.inorgchem.5b02962","","x-ray","0.71073","MoKα","","0.0454","0.0291","","","0.0594","0.0668","","","","","","1.054","","","","has coordinates","232244","2020-10-21","18:00:00",""
"4347289","10.6972","0.0016","11.3656","0.0016","18.687","0.003","81.692","0.002","86.181","0.002","84.66","0.003","2235.1","0.6","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C47 H36 Dy F9 N2 O7 -","- C47 H36 Dy F9 N2 O7 -","- C94 H72 Dy2 F18 N4 O14 -","2","1","","Zhang, Sheng; Ke, Hongshan; Sun, Lin; Li, Xin; Shi, Quan; Xie, Gang; Wei, Qing; Yang, Desuo; Wang, Wenyuan; Chen, Sanping","Magnetization Dynamics Changes of Dysprosium(III) Single-Ion Magnets Associated with Guest Molecules.","Inorganic chemistry","2016","55","8","3865","3871","10.1021/acs.inorgchem.5b02971","","","0.71073","MoKα","","0.0782","0.0558","","","0.1394","0.1654","","","","","","1.068","","","","has coordinates","232245","2020-10-21","18:00:00",""
"4347290","10.5725","0.0017","12.565","0.002","18.395","0.003","85.084","0.003","75.023","0.003","65.326","0.003","2144.4","0.6","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C45 H32 Dy F9 N2 O6 -","- C45 H32 Dy F9 N2 O6 -","- C90 H64 Dy2 F18 N4 O12 -","2","1","","Zhang, Sheng; Ke, Hongshan; Sun, Lin; Li, Xin; Shi, Quan; Xie, Gang; Wei, Qing; Yang, Desuo; Wang, Wenyuan; Chen, Sanping","Magnetization Dynamics Changes of Dysprosium(III) Single-Ion Magnets Associated with Guest Molecules.","Inorganic chemistry","2016","55","8","3865","3871","10.1021/acs.inorgchem.5b02971","","","0.71073","MoKα","","0.1261","0.0992","","","0.2218","0.2521","","","","","","1.284","","","","has coordinates","232246","2020-10-21","18:00:00",""
"4347291","21.5669","0.0005","21.5669","0.0005","7.7969","0.0002","90","","90","","120","","3140.71","0.13","293","2","293","2","","","","","","","","6","P -3","-P 3","147","","","","- C96 H54 Cu3 F18 N6 O18 -","- C96 H54 Cu3 F18 N6 O18 -","- C96 H54 Cu3 F18 N6 O18 -","1","0.166667","","Chen, Gong-Jun; Wang, Jing-Si; Jin, Fa-Zheng; Liu, Ming-Yang; Zhao, Chao-Wei; Li, Yan-An; Dong, Yu-Bin","Pd@Cu(II)-MOF-Catalyzed Aerobic Oxidation of Benzylic Alcohols in Air with High Conversion and Selectivity.","Inorganic chemistry","2016","55","6","3058","3064","10.1021/acs.inorgchem.5b02973","","","1.54178","CuKα","","0.1044","0.0871","","","0.2745","0.2433","","","","","","1.19","","","","has coordinates","232247","2020-10-21","18:00:00",""
"4347292","24.54658","0.00018","11.25766","0.00008","22.79169","0.00015","90","","98.946","0.0007","90","","6221.57","0.08","124","1","124","1","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C74 H86 Ga N2 Ni -","- C74 H86 Ga N2 Ni -","- C296 H344 Ga4 N8 Ni4 -","4","1","","Chakraborty, Uttam; Mühldorf, Bernd; van Velzen, Niels J. C.; de Bruin, Bas; Harder, Sjoerd; Wolf, Robert","[Cp(Ar)Ni{Ga(nacnac)}]: An Open-Shell Nickel(I) Complex Supported by a Gallium(I) Carbenoid (Cp(Ar) = C5(C6H4-4-Et)5, nacnac = HC[C(Me)N-(C6H3)-2,6-iPr2]2).","Inorganic chemistry","2016","55","6","3075","3078","10.1021/acs.inorgchem.5b02979","","x-ray","1.54184","CuKα","","0.0382","0.033","","","0.0818","0.086","","","","","","1.029","","","","has coordinates,has disorder","232248","2020-10-21","18:00:00",""
"4347293","23.8919","0.0004","22.8702","0.0004","38.3227","0.0007","90","","97.7389","0.0019","90","","20749.3","0.6","123","1","123.01","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C74 H86 Br Ga N2 Ni -","- C74 H86 Br Ga N2 Ni -","- C888 H1032 Br12 Ga12 N24 Ni12 -","12","3","","Chakraborty, Uttam; Mühldorf, Bernd; van Velzen, Niels J. C.; de Bruin, Bas; Harder, Sjoerd; Wolf, Robert","[Cp(Ar)Ni{Ga(nacnac)}]: An Open-Shell Nickel(I) Complex Supported by a Gallium(I) Carbenoid (Cp(Ar) = C5(C6H4-4-Et)5, nacnac = HC[C(Me)N-(C6H3)-2,6-iPr2]2).","Inorganic chemistry","2016","55","6","3075","3078","10.1021/acs.inorgchem.5b02979","","x-ray","1.54184","CuKα","","0.0643","0.0509","","","0.145","0.157","","","","","","0.966","","","","has coordinates","252052","2020-10-21","18:00:00",""
"4347294","5.4246","0.0003","10.0714","0.0005","10.7447","0.0006","90","","90","","90","","587.02","0.05","100","2","100","","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C8 H14 Cl N4 Pt -","- C8 H14 Cl N4 Pt -","- C16 H28 Cl2 N8 Pt2 -","2","0.5","","Otake, Ken-ichi; Otsubo, Kazuya; Sugimoto, Kunihisa; Fujiwara, Akihiko; Kitagawa, Hiroshi","Neutral-Type One-Dimensional Mixed-Valence Halogen-Bridged Platinum Chain Complexes with Large Charge-Transfer Band Gaps.","Inorganic chemistry","2016","55","5","2620","2626","10.1021/acs.inorgchem.5b02980","","","0.71073","MoKα","","0.018","0.0156","","","0.0396","0.0402","","","","","","1.115","","","","has coordinates","232249","2020-10-21","18:00:00",""
"4347295","9.622","0.003","12.063","0.004","12.924","0.005","81.487","0.004","70.954","0.004","77.595","0.004","1379.9","0.8","100","2","100","2","","","","","","","","6","P 1","P 1","1","","","","- C8 H14 Br2 N4 O Pt -","- C8 H14 Br2 N4 O Pt -","- C32 H56 Br8 N16 O4 Pt4 -","4","4","","Otake, Ken-ichi; Otsubo, Kazuya; Sugimoto, Kunihisa; Fujiwara, Akihiko; Kitagawa, Hiroshi","Neutral-Type One-Dimensional Mixed-Valence Halogen-Bridged Platinum Chain Complexes with Large Charge-Transfer Band Gaps.","Inorganic chemistry","2016","55","5","2620","2626","10.1021/acs.inorgchem.5b02980","","","0.71073","MoKα","","0.0256","0.0234","","","0.0604","0.0611","","","","","","1.035","","","","has coordinates","232250","2020-10-21","18:00:00",""
"4347296","6.871","0.0014","13.002","0.003","13.702","0.003","90","","90","","90","","1224.1","0.5","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C8 H14 N4 O2 Pt -","- C8 H14 N4 O2 Pt -","- C32 H56 N16 O8 Pt4 -","4","1","","Otake, Ken-ichi; Otsubo, Kazuya; Sugimoto, Kunihisa; Fujiwara, Akihiko; Kitagawa, Hiroshi","Neutral-Type One-Dimensional Mixed-Valence Halogen-Bridged Platinum Chain Complexes with Large Charge-Transfer Band Gaps.","Inorganic chemistry","2016","55","5","2620","2626","10.1021/acs.inorgchem.5b02980","","","0.71073","MoKα","","0.0165","0.0151","","","0.0403","0.0408","","","","","","1.083","","","","has coordinates","232251","2020-10-21","18:00:00",""
"4347297","12.3002","","18.8899","","13.1157","","90","","100.694","","90","","2994.5","","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C8 H14 I2 N4 O Pt -","- C8 H14 I2 N4 O0.5 Pt -","- C64 H112 I16 N32 O4 Pt8 -","8","4","","Otake, Ken-ichi; Otsubo, Kazuya; Sugimoto, Kunihisa; Fujiwara, Akihiko; Kitagawa, Hiroshi","Neutral-Type One-Dimensional Mixed-Valence Halogen-Bridged Platinum Chain Complexes with Large Charge-Transfer Band Gaps.","Inorganic chemistry","2016","55","5","2620","2626","10.1021/acs.inorgchem.5b02980","","","0.71073","MoKα","","0.0266","0.0221","","","0.0513","0.0525","","","","","","0.993","","","","has coordinates","232252","2020-10-21","18:00:00",""
"4347298","5.7631","0.0004","9.9725","0.0007","10.7081","0.0008","90","","90","","90","","615.42","0.08","100","2","100","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C8 H14 I N4 Pt -","- C8 H14 I N4 Pt -","- C16 H28 I2 N8 Pt2 -","2","0.5","","Otake, Ken-ichi; Otsubo, Kazuya; Sugimoto, Kunihisa; Fujiwara, Akihiko; Kitagawa, Hiroshi","Neutral-Type One-Dimensional Mixed-Valence Halogen-Bridged Platinum Chain Complexes with Large Charge-Transfer Band Gaps.","Inorganic chemistry","2016","55","5","2620","2626","10.1021/acs.inorgchem.5b02980","","","0.71073","MoKα","","0.0108","0.0105","","","0.0268","0.0269","","","","","","1.02","","","","has coordinates","232253","2020-10-21","18:00:00",""
"4347299","5.5648","0.0011","9.958","0.002","10.755","0.002","90","","90","","90","","596","0.2","100","2","100","","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C8 H14 Br N4 Pt -","- C8 H14 Br N4 Pt -","- C16 H28 Br2 N8 Pt2 -","2","0.5","","Otake, Ken-ichi; Otsubo, Kazuya; Sugimoto, Kunihisa; Fujiwara, Akihiko; Kitagawa, Hiroshi","Neutral-Type One-Dimensional Mixed-Valence Halogen-Bridged Platinum Chain Complexes with Large Charge-Transfer Band Gaps.","Inorganic chemistry","2016","55","5","2620","2626","10.1021/acs.inorgchem.5b02980","","","0.71073","MoKα","","0.0136","0.0118","","","0.0295","0.0301","","","","","","1.094","","","","has coordinates","232254","2020-10-21","18:00:00",""
"4347300","11.32","0.002","11.5351","0.0019","13.336","0.003","87.146","0.008","82.848","0.009","70.288","0.007","1626.5","0.5","233","2","233","2","","","","","","","","4","P -1","-P 1","2","","","","- C36 H52 Cr N2 -","- C36 H52 Cr N2 -","- C72 H104 Cr2 N4 -","2","1","","Jacobs, Brian P.; Wolczanski, Peter T.; Lobkovsky, Emil B.","Oxidatively Triggered Carbon-Carbon Bond Formation in Ene-amide Complexes.","Inorganic chemistry","2016","55","9","4223","4232","10.1021/acs.inorgchem.5b02990","","","0.71073","MoKα","","0.0569","0.0388","","","0.0904","0.0998","","","","","","1.034","","","","has coordinates","232256","2020-10-21","18:00:00",""
"4347301","12.3854","0.0004","19.7116","0.0009","13.7788","0.0006","90","","106.922","0.002","90","","3218.3","0.2","233","2","233","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C36 H52 Cr N2 -","- C36 H52 Cr N2 -","- C144 H208 Cr4 N8 -","4","1","","Jacobs, Brian P.; Wolczanski, Peter T.; Lobkovsky, Emil B.","Oxidatively Triggered Carbon-Carbon Bond Formation in Ene-amide Complexes.","Inorganic chemistry","2016","55","9","4223","4232","10.1021/acs.inorgchem.5b02990","","","0.71073","MoKα","","0.0842","0.0407","","","0.0944","0.1165","","","","","","0.995","","","","has coordinates","232256","2020-10-21","18:00:00",""
"4347302","10.318","0.0005","18.3944","0.001","22.0796","0.0011","68.324","0.003","78.952","0.003","86.63","0.003","3821.7","0.3","223","2","223","2","","","","","","","","5","P -1","-P 1","2","","","","- C39 H61 Fe N2 P -","- C39 H61 Fe N2 P -","- C156 H244 Fe4 N8 P4 -","4","2","","Jacobs, Brian P.; Wolczanski, Peter T.; Lobkovsky, Emil B.","Oxidatively Triggered Carbon-Carbon Bond Formation in Ene-amide Complexes.","Inorganic chemistry","2016","55","9","4223","4232","10.1021/acs.inorgchem.5b02990","","","0.71073","MoKα","","0.0863","0.0443","","","0.095","0.1169","","","","","","1.009","","","","has coordinates,has disorder","232256","2020-10-21","18:00:00",""
"4347303","10.6653","0.001","36.834","0.004","21.08","0.002","90","","97.136","0.004","90","","8217","1.4","223","2","223","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C46 H62 Co N4 -","- C46 H62 Co N4 -","- C368 H496 Co8 N32 -","8","2","","Jacobs, Brian P.; Wolczanski, Peter T.; Lobkovsky, Emil B.","Oxidatively Triggered Carbon-Carbon Bond Formation in Ene-amide Complexes.","Inorganic chemistry","2016","55","9","4223","4232","10.1021/acs.inorgchem.5b02990","","","0.71073","MoKα","","0.1316","0.0575","","","0.1234","0.1622","","","","","","1.068","","","","has coordinates","232256","2020-10-21","18:00:00",""
"4347304","15.55","0.009","9.151","0.005","24.38","0.011","90","","107.24","0.03","90","","3313","3","296","2","296","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C36 H52 N2 -","- C36 H52 N2 -","- C144 H208 N8 -","4","0.5","","Jacobs, Brian P.; Wolczanski, Peter T.; Lobkovsky, Emil B.","Oxidatively Triggered Carbon-Carbon Bond Formation in Ene-amide Complexes.","Inorganic chemistry","2016","55","9","4223","4232","10.1021/acs.inorgchem.5b02990","","","0.71073","MoKα","","0.0688","0.0413","","","0.1019","0.1181","","","","","","1.002","","","","has coordinates","232256","2020-10-21","18:00:00",""
"4347305","11.0565","0.0018","12.827","0.002","13.891","0.002","71.824","0.003","73.3","0.003","70.806","0.003","1729.8","0.5","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C36 H46 Cl2 P2 Pd -","- C36 H46 Cl2 P2 Pd -","- C72 H92 Cl4 P4 Pd2 -","2","1","","Kendall, Alexander J.; Zakharov, Lev N.; Tyler, David R.","Steric and Electronic Influences of Buchwald-Type Alkyl-JohnPhos Ligands.","Inorganic chemistry","2016","55","6","3079","3090","10.1021/acs.inorgchem.5b02996","","","0.71073","MoKα","","0.0955","0.0466","","","0.082","0.0984","","","","","","1.017","","","","has coordinates","232257","2020-10-21","18:00:00",""
"4347306","11.118","0.0006","11.4477","0.0006","15.4317","0.0009","81.426","0.002","78.935","0.002","79.538","0.002","1882.2","0.18","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C45 H44 O P2 Pd -","- C45 H44 O P2 Pd -","- C90 H88 O2 P4 Pd2 -","2","1","","Kendall, Alexander J.; Zakharov, Lev N.; Tyler, David R.","Steric and Electronic Influences of Buchwald-Type Alkyl-JohnPhos Ligands.","Inorganic chemistry","2016","55","6","3079","3090","10.1021/acs.inorgchem.5b02996","","","1.54178","CuKα","","0.0889","0.07","","","0.1649","0.1755","","","","","","1.023","","","","has coordinates","232257","2020-10-21","18:00:00",""
"4347307","7.3216","0.0003","9.6435","0.0004","11.8158","0.0004","67.621","0.002","72.584","0.002","76.173","0.002","728.64","0.05","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C32 H30 Cr O4 P2 -","- C32 H30 Cr O4 P2 -","- C32 H30 Cr O4 P2 -","1","0.5","","Kendall, Alexander J.; Zakharov, Lev N.; Tyler, David R.","Steric and Electronic Influences of Buchwald-Type Alkyl-JohnPhos Ligands.","Inorganic chemistry","2016","55","6","3079","3090","10.1021/acs.inorgchem.5b02996","","","1.54178","CuKα","","0.0395","0.0354","","","0.0908","0.0934","","","","","","1.057","","","","has coordinates","232257","2020-10-21","18:00:00",""
"4347308","7.9111","0.0005","11.4369","0.0008","13.9141","0.0009","78.752","0.003","80.116","0.003","79.644","0.003","1202.4","0.14","200","2","200","2","","","","","","","","3","P -1","-P 1","2","","","","- C14 H15 P -","- C14 H15 P -","- C56 H60 P4 -","4","2","","Kendall, Alexander J.; Zakharov, Lev N.; Tyler, David R.","Steric and Electronic Influences of Buchwald-Type Alkyl-JohnPhos Ligands.","Inorganic chemistry","2016","55","6","3079","3090","10.1021/acs.inorgchem.5b02996","","","0.71073","MoKα","","0.0563","0.039","","","0.0922","0.1045","","","","","","1.012","","","","has coordinates","232257","2020-10-21","18:00:00",""
"4347309","11.6418","0.0013","7.1671","0.0008","16.423","0.0017","90","","92.638","0.005","90","","1368.8","0.3","200","2","200","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C28 H30 Cl2 P2 Pd -","- C28 H30 Cl2 P2 Pd -","- C56 H60 Cl4 P4 Pd2 -","2","0.5","","Kendall, Alexander J.; Zakharov, Lev N.; Tyler, David R.","Steric and Electronic Influences of Buchwald-Type Alkyl-JohnPhos Ligands.","Inorganic chemistry","2016","55","6","3079","3090","10.1021/acs.inorgchem.5b02996","","","0.71073","MoKα","","0.0583","0.0376","","","0.0818","0.093","","","","","","1.024","","","","has coordinates","232257","2020-10-21","18:00:00",""
"4347310","8.797","0.003","13.654","0.004","18.42","0.005","82.256","0.005","83.828","0.006","73.186","0.006","2093.1","1.1","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C32 H36 Ag2 N5 O7 Si4 -","- C32 H36 Ag2 N5 O7 Si4 -","- C64 H72 Ag4 N10 O14 Si8 -","2","1","","Deshmukh, Mahesh S.; Vijayakanth, Thangavel; Boomishankar, Ramamoorthy","Stereochemically Distinct Cyclotetrasiloxanes Containing 3-Pyridyl Moieties and Their Functional Coordination Polymers.","Inorganic chemistry","2016","55","6","3098","3104","10.1021/acs.inorgchem.6b00001","","","0.71073","MoKα","","0.1858","0.0832","","","0.2313","0.2766","","","","","","0.844","","","","has coordinates,has disorder","232258","2020-10-21","18:00:00",""
"4347311","16.29","0.03","11.09","0.02","16.96","0.03","90","","109.86","0.03","90","","2882","9","100","2","100","2","","","","","","","","7","P 1 2/c 1","-P 2yc","13","","","","- C32 H44 Cu4 I4 N4 O4 Si4 -","- C32 H44 Cu4 I4 N4 O4 Si4 -","- C64 H88 Cu8 I8 N8 O8 Si8 -","2","0.5","","Deshmukh, Mahesh S.; Vijayakanth, Thangavel; Boomishankar, Ramamoorthy","Stereochemically Distinct Cyclotetrasiloxanes Containing 3-Pyridyl Moieties and Their Functional Coordination Polymers.","Inorganic chemistry","2016","55","6","3098","3104","10.1021/acs.inorgchem.6b00001","","","0.71073","MoKα","","0.5163","0.1796","","","0.4207","0.5447","","","","","","1.028","","","","has coordinates","232259","2020-10-21","18:00:00",""
"4347312","14.042","0.001","26.3107","0.0019","16.817","0.001","90","","105.548","0.003","90","","5985.8","0.7","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C32 H36 I4 N4 O4 Si4 Zn2 -","- C32 H32 I3.98 N4 O4 Si4 Zn2 -","- C128 H128 I15.92 N16 O16 Si16 Zn8 -","4","0.5","","Deshmukh, Mahesh S.; Vijayakanth, Thangavel; Boomishankar, Ramamoorthy","Stereochemically Distinct Cyclotetrasiloxanes Containing 3-Pyridyl Moieties and Their Functional Coordination Polymers.","Inorganic chemistry","2016","55","6","3098","3104","10.1021/acs.inorgchem.6b00001","","","0.71073","MoKα","","0.227","0.0935","","","0.2508","0.3345","","","","","","1.025","","","","has coordinates,has disorder","232260","2020-10-21","18:00:00",""
"4347313","14.588","0.003","11.141","0.002","20.125","0.004","90","","108.21","0.03","90","","3107","1.2","113","2","113","2","","","","","","","","7","P 1 2/c 1","-P 2yc","13","","","","- C47 H35 Cu Dy F30 N8 O14 -","- C47 H35 Cu Dy F30 N8 O14 -","- C94 H70 Cu2 Dy2 F60 N16 O28 -","2","0.5","","Zhu, Mei; Li, Cun; Wang, Xiufeng; Li, Licun; Sutter, Jean-Pascal","Thermal Magnetic Hysteresis in a Copper-Gadolinium-Radical Chain Compound.","Inorganic chemistry","2016","55","6","2676","2678","10.1021/acs.inorgchem.6b00004","","","0.71073","MoKα","","0.0892","0.0815","","","0.2022","0.2106","","","","","","1.068","","","","has coordinates","232261","2020-10-21","18:00:00",""
"4347314","15.109","0.003","11.113","0.002","20.228","0.004","90","","107.22","0.03","90","","3244.2","1.2","293","2","293","2","","","","","","","","7","P 1 2/c 1","-P 2yc","13","","","","- C47 H35 Cu F30 Gd N8 O14 -","- C47 H35 Cu F30 Gd N8 O14 -","- C94 H70 Cu2 F60 Gd2 N16 O28 -","2","0.5","","Zhu, Mei; Li, Cun; Wang, Xiufeng; Li, Licun; Sutter, Jean-Pascal","Thermal Magnetic Hysteresis in a Copper-Gadolinium-Radical Chain Compound.","Inorganic chemistry","2016","55","6","2676","2678","10.1021/acs.inorgchem.6b00004","","","0.71073","MoKα","","0.1454","0.0956","","","0.2078","0.2369","","","","","","1.024","","","","has coordinates,has disorder","232262","2020-10-21","18:00:00",""
"4347315","14.58","0.003","11.217","0.002","20.13","0.004","90","","108.29","0.03","90","","3125.8","1.2","113","2","113","2","","","","","","","","7","P 1 2/c 1","-P 2yc","13","","","","- C47 H35 Cu F30 Gd N8 O14 -","- C47 H35 Cu F30 Gd N8 O14 -","- C94 H70 Cu2 F60 Gd2 N16 O28 -","2","0.5","","Zhu, Mei; Li, Cun; Wang, Xiufeng; Li, Licun; Sutter, Jean-Pascal","Thermal Magnetic Hysteresis in a Copper-Gadolinium-Radical Chain Compound.","Inorganic chemistry","2016","55","6","2676","2678","10.1021/acs.inorgchem.6b00004","","","0.71073","MoKα","","0.0843","0.0789","","","0.2009","0.2057","","","","","","1.031","","","","has coordinates","232263","2020-10-21","18:00:00",""
"4347316","15.071","0.003","11.095","0.002","20.235","0.004","90","","107.42","0.03","90","","3228.4","1.2","293","2","293","2","","","","","","","","7","P 1 2/c 1","-P 2yc","13","","","","- C47 H35 Cu Dy F30 N8 O14 -","- C47 H35 Cu Dy F30 N8 O14 -","- C94 H70 Cu2 Dy2 F60 N16 O28 -","2","0.5","","Zhu, Mei; Li, Cun; Wang, Xiufeng; Li, Licun; Sutter, Jean-Pascal","Thermal Magnetic Hysteresis in a Copper-Gadolinium-Radical Chain Compound.","Inorganic chemistry","2016","55","6","2676","2678","10.1021/acs.inorgchem.6b00004","","","0.71073","MoKα","","0.1317","0.099","","","0.2206","0.2428","","","","","","1.014","","","","has coordinates,has disorder","232264","2020-10-21","18:00:00",""
"4347317","13.241","0.003","19.666","0.004","13.785","0.003","90","","94.92","0.03","90","","3576.4","1.3","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C50 H104 Cu Mo6 N6 O24 -","- C50 H104 Cu Mo6 N6 O24 -","- C100 H208 Cu2 Mo12 N12 O48 -","2","0.5","","Wang, Yang; Li, Bao; Qian, Hujun; Wu, Lixin","Controlled Triol-Derivative Bonding and Decoration Transformation on Cu-Centered Anderson-Evans Polyoxometalates.","Inorganic chemistry","2016","55","9","4271","4277","10.1021/acs.inorgchem.6b00008","","","0.71073","MoKα","","0.0564","0.0441","","","0.1028","0.1067","","","","","","1.073","","","","has coordinates","232265","2020-10-21","18:00:00",""
"4347318","11.547","0.002","13.564","0.003","13.645","0.003","115.01","0.03","91.46","0.03","114.24","0.03","1714","1","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C46 H100 Cu Mo6 N2 O28 -","- C46 H100 Cu Mo6 N2 O28 -","- C46 H100 Cu Mo6 N2 O28 -","1","0.5","","Wang, Yang; Li, Bao; Qian, Hujun; Wu, Lixin","Controlled Triol-Derivative Bonding and Decoration Transformation on Cu-Centered Anderson-Evans Polyoxometalates.","Inorganic chemistry","2016","55","9","4271","4277","10.1021/acs.inorgchem.6b00008","","","0.71073","MoKα","","0.0613","0.0495","","","0.153","0.1637","","","","","","1.13","","","","has coordinates","232265","2020-10-21","18:00:00",""
"4347319","13.673","0.003","19.662","0.004","13.762","0.003","90","","95.04","0.03","90","","3685.5","1.4","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C52 H108 Cu Mo6 N6 O24 -","- C52 H108 Cu Mo6 N6 O24 -","- C104 H216 Cu2 Mo12 N12 O48 -","2","0.5","","Wang, Yang; Li, Bao; Qian, Hujun; Wu, Lixin","Controlled Triol-Derivative Bonding and Decoration Transformation on Cu-Centered Anderson-Evans Polyoxometalates.","Inorganic chemistry","2016","55","9","4271","4277","10.1021/acs.inorgchem.6b00008","","","0.71073","MoKα","","0.0399","0.0328","","","0.09","0.0946","","","","","","1.03","","","","has coordinates,has disorder","232265","2020-10-21","18:00:00",""
"4347320","14.229","0.003","10.44","0.002","22.333","0.005","90","","95.73","0.03","90","","3301","1.2","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C46 H100 Cu Mo6 N2 O30 -","- C46 H100 Cu Mo6 N2 O30 -","- C92 H200 Cu2 Mo12 N4 O60 -","2","0.5","","Wang, Yang; Li, Bao; Qian, Hujun; Wu, Lixin","Controlled Triol-Derivative Bonding and Decoration Transformation on Cu-Centered Anderson-Evans Polyoxometalates.","Inorganic chemistry","2016","55","9","4271","4277","10.1021/acs.inorgchem.6b00008","","","0.71073","MoKα","","0.0415","0.0331","","","0.0842","0.0997","","","","","","1.019","","","","has coordinates,has disorder","232265","2020-10-21","18:00:00",""
"4347321","14.11","0.003","21.263","0.004","23.016","0.005","90","","93.66","0.03","90","","6891","2","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C44 H94 Cu Mo6 N4 O32 -","- C44 H94 Cu Mo6 N4 O32 -","- C176 H376 Cu4 Mo24 N16 O128 -","4","1","","Wang, Yang; Li, Bao; Qian, Hujun; Wu, Lixin","Controlled Triol-Derivative Bonding and Decoration Transformation on Cu-Centered Anderson-Evans Polyoxometalates.","Inorganic chemistry","2016","55","9","4271","4277","10.1021/acs.inorgchem.6b00008","","","0.71073","MoKα","","0.0821","0.0531","","","0.1169","0.1294","","","","","","0.977","","","","has coordinates","232265","2020-10-21","18:00:00",""
"4347322","14.99","0.004","25.871","0.005","23.163","0.005","90","","105.561","0.009","90","","8653","3","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C65 H142 Cu Mo6 N4 O27 -","- C65 H139 Cu Mo6 N4 O27 -","- C260 H556 Cu4 Mo24 N16 O108 -","4","1","","Wang, Yang; Li, Bao; Qian, Hujun; Wu, Lixin","Controlled Triol-Derivative Bonding and Decoration Transformation on Cu-Centered Anderson-Evans Polyoxometalates.","Inorganic chemistry","2016","55","9","4271","4277","10.1021/acs.inorgchem.6b00008","","","0.71073","MoKα","","0.093","0.0588","","","0.1501","0.1675","","","","","","1.05","","","","has coordinates,has disorder","232265","2020-10-21","18:00:00",""
"4347323","25.265","0.005","10.414","0.002","27.313","0.006","90","","117.43","0.03","90","","6378","3","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C44 H98 Cu Mo6 N2 O25 -","- C44 H96 Cu Mo6 N2 O25 -","- C176 H384 Cu4 Mo24 N8 O100 -","4","1","","Wang, Yang; Li, Bao; Qian, Hujun; Wu, Lixin","Controlled Triol-Derivative Bonding and Decoration Transformation on Cu-Centered Anderson-Evans Polyoxometalates.","Inorganic chemistry","2016","55","9","4271","4277","10.1021/acs.inorgchem.6b00008","","","0.71073","MoKα","","0.0905","0.0549","","","0.1126","0.1248","","","","","","1.039","","","","has coordinates,has disorder","232265","2020-10-21","18:00:00",""
"4347324","18.001","0.005","18.001","0.005","12.946","0.005","90","0.005","90","0.005","90","0.005","4195","2","293","2","293","2","","","","","","","","7","P 42/n :2","-P 4bc","86","","","","- C52 H36 Cu2 Mo12 N16 O54 P -","- C52 H36 Cu2 Mo12 N16 O54 P -","- C104 H72 Cu4 Mo24 N32 O108 P2 -","2","0.25","","Wang, Xiu-Li; Zhang, Rui; Wang, Xiang; Lin, Hong-Yan; Liu, Guo-Cheng","An Effective Strategy To Construct Novel Polyoxometalate-Based Hybrids by Deliberately Controlling Organic Ligand Transformation In Situ.","Inorganic chemistry","2016","55","13","6384","6393","10.1021/acs.inorgchem.6b00009","","","0.71069","MoKα","","0.0665","0.0381","","","0.0966","0.1125","","","","","","0.955","","","","has coordinates","232266","2020-10-21","18:00:00",""
"4347325","18.12","0.005","18.12","0.005","12.905","0.005","90","0.005","90","0.005","90","0.005","4237","2","293","2","293","2","","","","","","","","7","P 42/n :2","-P 4bc","86","","","","- C52 H36 Cu2 N16 O54 Si W12 -","- C52 H36 Cu2 N16 O54 Si W12 -","- C104 H72 Cu4 N32 O108 Si2 W24 -","2","0.25","","Wang, Xiu-Li; Zhang, Rui; Wang, Xiang; Lin, Hong-Yan; Liu, Guo-Cheng","An Effective Strategy To Construct Novel Polyoxometalate-Based Hybrids by Deliberately Controlling Organic Ligand Transformation In Situ.","Inorganic chemistry","2016","55","13","6384","6393","10.1021/acs.inorgchem.6b00009","","","0.71069","MoKα","","0.0567","0.0311","","","0.0672","0.0764","","","","","","1.004","","","","has coordinates","232266","2020-10-21","18:00:00",""
"4347326","13.246","0.005","13.603","0.005","16.304","0.005","87.4","0.005","74.351","0.005","88.125","0.005","2825.3","1.7","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C26 H20 Ag Mo12 N8 O46 P -","- C26 H20 Ag Mo12 N8 O46 P -","- C52 H40 Ag2 Mo24 N16 O92 P2 -","2","1","","Wang, Xiu-Li; Zhang, Rui; Wang, Xiang; Lin, Hong-Yan; Liu, Guo-Cheng","An Effective Strategy To Construct Novel Polyoxometalate-Based Hybrids by Deliberately Controlling Organic Ligand Transformation In Situ.","Inorganic chemistry","2016","55","13","6384","6393","10.1021/acs.inorgchem.6b00009","","","0.71069","MoKα","","0.058","0.0444","","","0.1089","0.1167","","","","","","1.01","","","","has coordinates","232266","2020-10-21","18:00:00",""
"4347327","39.804","0.005","13.587","0.005","23.074","0.005","90","0.005","119.014","0.005","90","0.005","10913","5","293","2","293","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C26 H20 Ag3 N8 O40 P W9 -","- C26 H20 Ag3 N8 O40 P W9 -","- C208 H160 Ag24 N64 O320 P8 W72 -","8","1","","Wang, Xiu-Li; Zhang, Rui; Wang, Xiang; Lin, Hong-Yan; Liu, Guo-Cheng","An Effective Strategy To Construct Novel Polyoxometalate-Based Hybrids by Deliberately Controlling Organic Ligand Transformation In Situ.","Inorganic chemistry","2016","55","13","6384","6393","10.1021/acs.inorgchem.6b00009","","","0.71069","MoKα","","0.084","0.0449","","","0.1114","0.1351","","","","","","1.03","","","","has coordinates","232266","2020-10-21","18:00:00",""
"4347328","32.9676","0.0003","32.9676","0.0003","26.6956","0.0004","90","","90","","90","","29014.5","0.6","293","2","293","2","","","","","","","","5","P -4 21 c","P -4 2n","114","FJI-C2","","","- C108 H34 Cd7 N24 O52 -","- C108 H46 Cd7 N24 O52 -","- C432 H184 Cd28 N96 O208 -","4","0.5","","Wang, Xu-Sheng; Liang, Jun; Li, Lan; Lin, Zu-Jin; Bag, Partha Pratim; Gao, Shui-Ying; Huang, Yuan-Biao; Cao, Rong","An Anion Metal-Organic Framework with Lewis Basic Sites-Rich toward Charge-Exclusive Cationic Dyes Separation and Size-Selective Catalytic Reaction.","Inorganic chemistry","2016","55","5","2641","2649","10.1021/acs.inorgchem.6b00019","","","1.54184","CuKα","","0.0616","0.0522","","","0.1509","0.1666","","","","","","0.633","","","","has coordinates","232267","2020-10-21","18:00:00",""
"4347329","19.688","0.003","11.024","0.002","20.33","0.003","90","","118.24","0.02","90","","3887.2","1.3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C38.5 H62 Cl2 N2 Si2 -","- C38.5 H62 Cl2 N2 Si2 -","- C154 H248 Cl8 N8 Si8 -","4","1","","Mohapatra, Chandrajeet; Samuel, Prinson P.; Li, Bin; Niepötter, Benedikt; Schürmann, Christian J; Herbst-Irmer, Regine; Stalke, Dietmar; Maity, Bholanath; Koley, Debasis; Roesky, Herbert W.","Insertion of Cyclic Alkyl(amino) Carbene into the Si-H Bonds of Hydrochlorosilanes.","Inorganic chemistry","2016","55","5","1953","1955","10.1021/acs.inorgchem.6b00024","","","0.71073","MoKα","","0.0367","0.0307","","","0.0794","0.0839","","","","","","1.036","","","","has coordinates,has disorder","232268","2020-10-21","18:00:00",""
"4347330","8.815","0.002","16.427","0.003","10.972","0.002","90","","113.64","0.02","90","","1455.5","0.5","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C30 H47 Cl2 N Si -","- C30 H47 Cl2 N Si -","- C60 H94 Cl4 N2 Si2 -","2","1","","Mohapatra, Chandrajeet; Samuel, Prinson P.; Li, Bin; Niepötter, Benedikt; Schürmann, Christian J; Herbst-Irmer, Regine; Stalke, Dietmar; Maity, Bholanath; Koley, Debasis; Roesky, Herbert W.","Insertion of Cyclic Alkyl(amino) Carbene into the Si-H Bonds of Hydrochlorosilanes.","Inorganic chemistry","2016","55","5","1953","1955","10.1021/acs.inorgchem.6b00024","","","0.56086","AgKα","","0.0293","0.0263","","","0.0617","0.0632","","","","","","1.025","","","","has coordinates","232269","2020-10-21","18:00:00",""
"4347331","13.314","0.002","16.57","0.002","17.34","0.003","90","","112.38","0.02","90","","3537.3","1","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C35 H55 Cl2 N3 Si -","- C35 H55 Cl2 N3 Si -","- C140 H220 Cl8 N12 Si4 -","4","1","","Mohapatra, Chandrajeet; Samuel, Prinson P.; Li, Bin; Niepötter, Benedikt; Schürmann, Christian J; Herbst-Irmer, Regine; Stalke, Dietmar; Maity, Bholanath; Koley, Debasis; Roesky, Herbert W.","Insertion of Cyclic Alkyl(amino) Carbene into the Si-H Bonds of Hydrochlorosilanes.","Inorganic chemistry","2016","55","5","1953","1955","10.1021/acs.inorgchem.6b00024","","","0.56086","AgKα","","0.0504","0.0355","","","0.0776","0.0841","","","","","","1.028","","","","has coordinates","232270","2020-10-21","18:00:00",""
"4347332","12.3442","0.0004","12.4158","0.0004","15.8234","0.0005","88.58","0.002","83.68","0.002","64.0527","0.0019","2166.69","0.13","103","2","103","2","","","","","","","","6","P -1","-P 1","2","","","","- C38 H54 Ge2 N4 Se Si4 -","- C38 H54 Ge2 N4 Se Si4 -","- C76 H108 Ge4 N8 Se2 Si8 -","2","1","","Leung, Wing-Por; Chan, Yuk-Chi; So, Cheuk-Wai; Mak, Thomas C. W.","Reactivity Study of a Pyridyl-1-azaallylgermanium(I) Dimer: Synthesis of Heavier Ether and Ester Analogues of Germanium.","Inorganic chemistry","2016","55","7","3553","3557","10.1021/acs.inorgchem.6b00026","","","0.71073","MoKα","","0.0679","0.0407","","","0.0821","0.0936","","","","","","1.016","","","","has coordinates","232271","2020-10-21","18:00:00",""
"4347333","11.7833","0.0006","12.6258","0.0007","16.7093","0.0009","90.477","0.001","92.046","0.001","110.794","0.001","2321.9","0.2","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C38 H54 Ge2 N4 Si4 Te -","- C38 H54 Ge2 N4 Si4 Te -","- C76 H108 Ge4 N8 Si8 Te2 -","2","1","","Leung, Wing-Por; Chan, Yuk-Chi; So, Cheuk-Wai; Mak, Thomas C. W.","Reactivity Study of a Pyridyl-1-azaallylgermanium(I) Dimer: Synthesis of Heavier Ether and Ester Analogues of Germanium.","Inorganic chemistry","2016","55","7","3553","3557","10.1021/acs.inorgchem.6b00026","","","0.71073","MoKα","","0.0366","0.0262","","","0.0703","0.0854","","","","","","1.108","","","","has coordinates","232271","2020-10-21","18:00:00",""
"4347334","14.0939","0.0004","16.1868","0.0004","19.7136","0.0005","90","","93.6396","0.0018","90","","4488.3","0.2","103","2","103","2","","","","","","","","6","P 1 2/c 1","-P 2yc","13","","","","- C38 H54 Ge2 N4 Se2 Si4 -","- C38 H54 Ge2 N4 Se2 Si4 -","- C152 H216 Ge8 N16 Se8 Si16 -","4","1","","Leung, Wing-Por; Chan, Yuk-Chi; So, Cheuk-Wai; Mak, Thomas C. W.","Reactivity Study of a Pyridyl-1-azaallylgermanium(I) Dimer: Synthesis of Heavier Ether and Ester Analogues of Germanium.","Inorganic chemistry","2016","55","7","3553","3557","10.1021/acs.inorgchem.6b00026","","","0.71073","","","0.1288","0.0648","","","0.1243","0.143","","","","","","1.177","","","","has coordinates,has disorder","232271","2020-10-21","18:00:00",""
"4347335","11.4954","0.0003","12.3514","0.0004","18.835","0.0005","84.4139","0.0017","73.568","0.0015","70.8713","0.0016","2423.39","0.12","103","2","103","2","","","","","","","","7","P -1","-P 1","2","","","","- C40 H59 Ge2 N4 O0.5 Si4 Te2 -","- C40 H59 Ge2 N4 O0.5 Si4 Te2 -","- C80 H118 Ge4 N8 O Si8 Te4 -","2","1","","Leung, Wing-Por; Chan, Yuk-Chi; So, Cheuk-Wai; Mak, Thomas C. W.","Reactivity Study of a Pyridyl-1-azaallylgermanium(I) Dimer: Synthesis of Heavier Ether and Ester Analogues of Germanium.","Inorganic chemistry","2016","55","7","3553","3557","10.1021/acs.inorgchem.6b00026","","","0.71073","MoKα","","0.053","0.0341","","","0.0704","0.0777","","","","","","1.051","","","","has coordinates,has disorder","232271","2020-10-21","18:00:00",""
"4347336","14.805","0.003","20.504","0.004","20.065","0.005","90","","92.677","0.004","90","","6084","2","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C61 H46 Cl4 N14 O10 Ru2 -","- C61 H46 Cl4 N14 O10 Ru2 -","- C244 H184 Cl16 N56 O40 Ru8 -","4","1","","Mondal, Prasenjit; Chatterjee, Madhumita; Paretzki, Alexa; Beyer, Katharina; Kaim, Wolfgang; Lahiri, Goutam Kumar","Noninnocence of Indigo: Dehydroindigo Anions as Bridging Electron-Donor Ligands in Diruthenium Complexes.","Inorganic chemistry","2016","55","6","3105","3116","10.1021/acs.inorgchem.6b00038","","","0.71075","MoKα","","0.0672","0.0608","","","0.1502","0.1555","","","","","","1.046","","","","has coordinates","232272","2020-10-21","18:00:00",""
"4347337","13.346","0.003","13.673","0.004","13.733","0.003","65.766","0.015","62.937","0.014","77.553","0.018","2033.7","0.9","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C45 H35 Cl N8 O6 Ru -","- C45 H35 Cl N8 O6 Ru -","- C90 H70 Cl2 N16 O12 Ru2 -","2","1","","Mondal, Prasenjit; Chatterjee, Madhumita; Paretzki, Alexa; Beyer, Katharina; Kaim, Wolfgang; Lahiri, Goutam Kumar","Noninnocence of Indigo: Dehydroindigo Anions as Bridging Electron-Donor Ligands in Diruthenium Complexes.","Inorganic chemistry","2016","55","6","3105","3116","10.1021/acs.inorgchem.6b00038","","","0.7107","MoKα","","0.0597","0.0482","","","0.1061","0.1152","","","","","","1.054","","","","has coordinates","232273","2020-10-21","18:00:00",""
"4347338","13.2183","0.0006","16.9966","0.0008","19.7511","0.001","90","","90","","90","","4437.4","0.4","273","2","273","2","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C50 H36 Br2 Cl2 N O Os P2 -","- C50 H36 Br2 Cl2 N O Os P2 -","- C200 H144 Br8 Cl8 N4 O4 Os4 P8 -","4","1","","Bera, Sachinath; Mondal, Sandip; Maity, Suvendu; Weyhermüller, Thomas; Ghosh, Prasanta","Radical and Non-Radical States of the [Os(PIQ)] Core (PIQ = 9,10-Phenanthreneiminoquinone): Iminosemiquinone to Iminoquinone Conversion Promoted o-Metalation Reaction.","Inorganic chemistry","2016","55","10","4746","4756","10.1021/acs.inorgchem.6b00040","","","0.71073","MoKα","","0.0553","0.0461","","","0.132","0.1487","","","","","","1.08","","","","has coordinates","232274","2020-10-21","18:00:00",""
"4347339","12.08","0.002","18.586","0.003","21.058","0.004","90","","96.676","0.003","90","","4695.9","1.4","100","2","100","2","","","","","","","dichloromethane, hexane","8","P 1 21/c 1","-P 2ybc","14","","","","- C52 H42 Br2 Cl4 N O Os P2 -","- C52 H42 Br2 Cl4 N O Os P2 -","- C208 H168 Br8 Cl16 N4 O4 Os4 P8 -","4","1","","Bera, Sachinath; Mondal, Sandip; Maity, Suvendu; Weyhermüller, Thomas; Ghosh, Prasanta","Radical and Non-Radical States of the [Os(PIQ)] Core (PIQ = 9,10-Phenanthreneiminoquinone): Iminosemiquinone to Iminoquinone Conversion Promoted o-Metalation Reaction.","Inorganic chemistry","2016","55","10","4746","4756","10.1021/acs.inorgchem.6b00040","","","0.71073","MoKα","","0.0391","0.0309","","","0.0759","0.08","","","","","","1.029","","","","has coordinates,has disorder","232275","2020-10-21","18:00:00",""
"4347340","24.3136","0.0011","9.5495","0.0004","23.6568","0.001","90","","118.118","0.001","90","","4844.4","0.4","114","2","114","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C52 H41 Br3 Cl4 N O Os P2 -","- C52 H41 Br3 Cl4 N O Os P2 -","- C208 H164 Br12 Cl16 N4 O4 Os4 P8 -","4","1","","Bera, Sachinath; Mondal, Sandip; Maity, Suvendu; Weyhermüller, Thomas; Ghosh, Prasanta","Radical and Non-Radical States of the [Os(PIQ)] Core (PIQ = 9,10-Phenanthreneiminoquinone): Iminosemiquinone to Iminoquinone Conversion Promoted o-Metalation Reaction.","Inorganic chemistry","2016","55","10","4746","4756","10.1021/acs.inorgchem.6b00040","","","0.71073","MoKα","","0.0461","0.0402","","","0.0904","0.0937","","","","","","0.955","","","","has coordinates","232276","2020-10-21","18:00:00",""
"4347341","23.82","0.003","11.711","0.002","18.232","0.002","90","","117.499","0.003","90","","4511.3","1.1","297","2","297","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C51 H39 Br N O2 Os P2 -","- C51 H39 Br N O2 Os P2 -","- C204 H156 Br4 N4 O8 Os4 P8 -","4","0.5","","Bera, Sachinath; Mondal, Sandip; Maity, Suvendu; Weyhermüller, Thomas; Ghosh, Prasanta","Radical and Non-Radical States of the [Os(PIQ)] Core (PIQ = 9,10-Phenanthreneiminoquinone): Iminosemiquinone to Iminoquinone Conversion Promoted o-Metalation Reaction.","Inorganic chemistry","2016","55","10","4746","4756","10.1021/acs.inorgchem.6b00040","","","0.71073","MoKα","","0.0334","0.031","","","0.0743","0.0761","","","","","","1.126","","","","has coordinates,has disorder","232277","2020-10-21","18:00:00",""
"4347342","23.756","0.003","11.7038","0.0015","18.121","0.002","90","","116.87","0.006","90","","4494.3","1","293","2","293","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C50 H39 Br2 N O Os P2 -","- C50 H39 Br2 N O Os P2 -","- C200 H156 Br8 N4 O4 Os4 P8 -","4","0.5","","Bera, Sachinath; Mondal, Sandip; Maity, Suvendu; Weyhermüller, Thomas; Ghosh, Prasanta","Radical and Non-Radical States of the [Os(PIQ)] Core (PIQ = 9,10-Phenanthreneiminoquinone): Iminosemiquinone to Iminoquinone Conversion Promoted o-Metalation Reaction.","Inorganic chemistry","2016","55","10","4746","4756","10.1021/acs.inorgchem.6b00040","","","0.71073","MoKα","","0.0424","0.0361","","","0.0888","0.0911","","","","","","1.074","","","","has coordinates,has disorder","232278","2020-10-21","18:00:00",""
"4347343","19.2601","0.0005","19.7648","0.0006","21.6077","0.0006","78.141","0.002","82.001","0.002","79.392","0.002","7868.3","0.4","173","2","173.15","","","","","","","","","7","P -1","-P 1","2","","","","- C103 H76 Ag9 N8 O22 S9 Zn3 -","- C103 H76 Ag9 N8 O22 S9 Zn3 -","- C206 H152 Ag18 N16 O44 S18 Zn6 -","2","1","","Wang, Zhi; Zhuang, Gui-Lin; Deng, Yong-Kai; Feng, Zhen-Yu; Cao, Zhao-Zhen; Kurmoo, Mohamedally; Tung, Chen-Ho; Sun, Di","Near-Infrared Emitters: Stepwise Assembly of Two Heteropolynuclear Clusters with Tunable Ag(I):Zn(II) Ratio.","Inorganic chemistry","2016","55","10","4757","4763","10.1021/acs.inorgchem.6b00044","","","1.54178","CuKα","","0.11","0.0798","","","0.198","0.2169","","","","","","0.935","","","","has coordinates","232279","2020-10-21","18:00:00",""
"4347344","20.2213","0.0009","20.5331","0.0012","26.3995","0.0012","107.385","0.004","104.141","0.003","105.049","0.004","9465.5","0.9","173","2","173.15","","","","","","","","","7","P -1","-P 1","2","","","","- C163 H121 Ag9 N20 O21 S9 Zn5 -","- C163 H121 Ag9 N20 O21 S9 Zn5 -","- C326 H242 Ag18 N40 O42 S18 Zn10 -","2","1","","Wang, Zhi; Zhuang, Gui-Lin; Deng, Yong-Kai; Feng, Zhen-Yu; Cao, Zhao-Zhen; Kurmoo, Mohamedally; Tung, Chen-Ho; Sun, Di","Near-Infrared Emitters: Stepwise Assembly of Two Heteropolynuclear Clusters with Tunable Ag(I):Zn(II) Ratio.","Inorganic chemistry","2016","55","10","4757","4763","10.1021/acs.inorgchem.6b00044","","","1.54178","CuKα","","0.1815","0.0941","","","0.2185","0.2578","","","","","","0.865","","","","has coordinates","232279","2020-10-21","18:00:00",""
"4347345","13.5336","0.0006","17.1124","0.0007","19.7007","0.0008","65.644","0.0001","74.784","0.0001","77.263","0.0001","3977.9","0.3","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C39 H63 N2 Pt Sn -","- C39 H63 N2 Pt Sn -","- C156 H252 N8 Pt4 Sn4 -","4","2","","Koppaka, Anjaneyulu; Captain, Burjor","Reversible Inter- and Intramolecular Carbon-Hydrogen Activation, Hydrogen Addition, and Catalysis by the Unsaturated Complex Pt(IPr)(SnBu(t)3)(H).","Inorganic chemistry","2016","55","6","2679","2681","10.1021/acs.inorgchem.6b00048","","","0.71073","MoKα","","0.0478","0.0394","","","0.1024","0.1094","","","","","","1.022","","","","has coordinates","232280","2020-10-21","18:00:00",""
"4347346","12.3953","0.0007","23.4889","0.0013","16.2028","0.0009","90","","94.834","0.001","90","","4700.7","0.5","100","","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C45 H77 N2 Pt Sn -","- C45 H77 N2 Pt Sn -","- C180 H308 N8 Pt4 Sn4 -","4","1","","Koppaka, Anjaneyulu; Captain, Burjor","Reversible Inter- and Intramolecular Carbon-Hydrogen Activation, Hydrogen Addition, and Catalysis by the Unsaturated Complex Pt(IPr)(SnBu(t)3)(H).","Inorganic chemistry","2016","55","6","2679","2681","10.1021/acs.inorgchem.6b00048","","","0.71073","MoKα","","0.0309","0.0253","","","0.0631","0.065","","","","","","1","","","","has coordinates","232280","2020-10-21","18:00:00",""
"4347347","12.8834","0.0019","12.0573","0.0017","26.795","0.004","90","","101.137","0.002","90","","4083.9","1","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C39 H63 N2 Pt Sn -","- C39 H63 N2 Pt Sn -","- C156 H252 N8 Pt4 Sn4 -","4","1","","Koppaka, Anjaneyulu; Captain, Burjor","Reversible Inter- and Intramolecular Carbon-Hydrogen Activation, Hydrogen Addition, and Catalysis by the Unsaturated Complex Pt(IPr)(SnBu(t)3)(H).","Inorganic chemistry","2016","55","6","2679","2681","10.1021/acs.inorgchem.6b00048","","","0.71073","MoKα","","0.1095","0.058","","","0.1078","0.1261","","","","","","1.009","","","","has coordinates","232280","2020-10-21","18:00:00",""
"4347348","12.8695","0.0006","12.0526","0.0006","26.8601","0.0012","90","","101.054","0.001","90","","4089","0.3","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C39 H63 N2 Pt Sn -","- C39 H63 N2 Pt Sn -","- C156 H252 N8 Pt4 Sn4 -","4","1","","Koppaka, Anjaneyulu; Captain, Burjor","Reversible Inter- and Intramolecular Carbon-Hydrogen Activation, Hydrogen Addition, and Catalysis by the Unsaturated Complex Pt(IPr)(SnBu(t)3)(H).","Inorganic chemistry","2016","55","6","2679","2681","10.1021/acs.inorgchem.6b00048","","","0.71073","MoKα","","0.0428","0.0291","","","0.0663","0.0724","","","","","","1.03","","","","has coordinates","232280","2020-10-21","18:00:00",""
"4347349","20.0223","0.0013","12.4136","0.0008","19.6166","0.0013","90","","110.883","0.001","90","","4555.4","0.5","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C47 H72 N2 Pt Sn -","- C47 H72 N2 Pt Sn -","- C188 H288 N8 Pt4 Sn4 -","4","1","","Koppaka, Anjaneyulu; Captain, Burjor","Reversible Inter- and Intramolecular Carbon-Hydrogen Activation, Hydrogen Addition, and Catalysis by the Unsaturated Complex Pt(IPr)(SnBu(t)3)(H).","Inorganic chemistry","2016","55","6","2679","2681","10.1021/acs.inorgchem.6b00048","","","0.71073","MoKα","","0.0586","0.0382","","","0.0673","0.0717","","","","","","1.046","","","","has coordinates","232280","2020-10-21","18:00:00",""
"4347350","24.785","0.0009","12.2744","0.0004","27.2533","0.001","90","","114.686","0.001","90","","7533.3","0.5","100","","100","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C43 H52 N2 Pt -","- C43 H52 N2 Pt -","- C344 H416 N16 Pt8 -","8","2","","Koppaka, Anjaneyulu; Captain, Burjor","Reversible Inter- and Intramolecular Carbon-Hydrogen Activation, Hydrogen Addition, and Catalysis by the Unsaturated Complex Pt(IPr)(SnBu(t)3)(H).","Inorganic chemistry","2016","55","6","2679","2681","10.1021/acs.inorgchem.6b00048","","","0.71073","MoKα","","0.0261","0.0197","","","0.0436","0.0463","","","","","","1.04","","","","has coordinates","232280","2020-10-21","18:00:00",""
"4347351","15.4979","0.0009","13.4644","0.0007","32.4682","0.0018","90","","90","","90","","6775.1","0.6","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C20.4 H10.8 In2 N1.2 O13.4 -","- C20.4 H10.8 In2 N1.2 O13.4 -","- C163.2 H86.4 In16 N9.6 O107.2 -","8","1","","Liu, Lin; Wang, Shi-Ming; Han, Zheng-Bo; Ding, Meili; Yuan, Da-Qiang; Jiang, Hai-Long","Exceptionally Robust In-Based Metal-Organic Framework for Highly Efficient Carbon Dioxide Capture and Conversion.","Inorganic chemistry","2016","55","7","3558","3565","10.1021/acs.inorgchem.6b00050","","","0.71073","MoKα","","0.0754","0.0555","","","0.1249","0.1338","","","","","","1.109","","","","has coordinates,has disorder","232281","2020-10-21","18:00:00",""
"4347352","12.559","0.001","12.7306","0.001","13.1308","0.0011","74.947","0.005","75.928","0.005","79.839","0.005","1952.1","0.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C47 H41 Cl Mo N3 P2 -","- C47 H41 Cl Mo N3 P2 -","- C94 H82 Cl2 Mo2 N6 P4 -","2","1","","Bezdek, Máté J; Guo, Sheng; Chirik, Paul J.","Terpyridine Molybdenum Dinitrogen Chemistry: Synthesis of Dinitrogen Complexes That Vary by Five Oxidation States.","Inorganic chemistry","2016","55","6","3117","3127","10.1021/acs.inorgchem.6b00053","","","1.54178","CuKα","","0.1071","0.0822","","","0.1722","0.1879","","","","","","1.043","","","","has coordinates,has disorder","232282","2020-10-21","18:00:00",""
"4347353","13.3083","0.0004","16.7804","0.0004","34.3598","0.0009","85.775","0.001","82.71","0.001","88.786","0.001","7589.9","0.4","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C164 H111 B2 F49 Mo2 N8 P4 -","- C164 H111 B2 F49 Mo2 N8 P4 -","- C328 H222 B4 F98 Mo4 N16 P8 -","2","1","","Bezdek, Máté J; Guo, Sheng; Chirik, Paul J.","Terpyridine Molybdenum Dinitrogen Chemistry: Synthesis of Dinitrogen Complexes That Vary by Five Oxidation States.","Inorganic chemistry","2016","55","6","3117","3127","10.1021/acs.inorgchem.6b00053","","","1.54178","CuKα","","0.0377","0.033","","","0.0845","0.0879","","","","","","1.048","","","","has coordinates,has disorder","232282","2020-10-21","18:00:00",""
"4347354","15.9083","0.0009","10.9914","0.0006","22.853","0.0012","90","","105.216","0.006","90","","3855.9","0.4","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C90 H72 Ag2 I2 P6 -","- C90 H72 Ag2 I2 P6 -","- C180 H144 Ag4 I4 P12 -","2","0.5","","Chen, Jin; Teng, Teng; Kang, Liju; Chen, Xu-Lin; Wu, Xiao-Yuan; Yu, Rongmin; Lu, Can-Zhong","Highly Efficient Thermally Activated Delayed Fluorescence in Dinuclear Ag(I) Complexes with a Bis-Bidentate Tetraphosphane Bridging Ligand.","Inorganic chemistry","2016","55","19","9528","9536","10.1021/acs.inorgchem.6b00068","","","1.54178","CuKα","","0.0751","0.0651","","","0.1723","0.1938","","","","","","1.058","","","","has coordinates","232283","2020-10-21","18:00:00",""
"4347355","11.5439","0.0005","12.3705","0.0003","15.2295","0.0006","100.985","0.003","109.494","0.004","101.165","0.003","1933.29","0.14","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C90 H72 Ag2 Br2 P6 -","- C90 H72 Ag2 Br2 P6 -","- C90 H72 Ag2 Br2 P6 -","1","0.5","","Chen, Jin; Teng, Teng; Kang, Liju; Chen, Xu-Lin; Wu, Xiao-Yuan; Yu, Rongmin; Lu, Can-Zhong","Highly Efficient Thermally Activated Delayed Fluorescence in Dinuclear Ag(I) Complexes with a Bis-Bidentate Tetraphosphane Bridging Ligand.","Inorganic chemistry","2016","55","19","9528","9536","10.1021/acs.inorgchem.6b00068","","","1.54184","CuKα","","0.0274","0.0253","","","0.0649","0.0668","","","","","","1.025","","","","has coordinates","232284","2020-10-21","18:00:00",""
"4347356","9.4551","0.0006","10.5596","0.0007","18.3639","0.0013","80.269","0.001","85.391","0.001","80.705","0.001","1780.7","0.2","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C35 H39 F12 Fe N O5 -","- C32 H36 F12 Fe N O5 -","- C64 H72 F24 Fe2 N2 O10 -","2","1","","Pascualini, Matias E.; Stoian, Sebastian A.; Ozarowski, Andrew; Abboud, Khalil A.; Veige, Adam S.","Solid State Collapse of a High-Spin Square-Planar Fe(II) Complex, Solution Phase Dynamics, and Electronic Structure Characterization of an Fe(II)2 Dimer.","Inorganic chemistry","2016","55","11","5191","5200","10.1021/acs.inorgchem.6b00075","","","0.71073","MoKα","","0.0383","0.029","","","0.0737","0.076","","","","","","1.066","","","","has coordinates","232285","2020-10-21","18:00:00",""
"4347357","9.1413","0.0002","19.4335","0.0007","28.6894","0.0009","90","","98.911","0.001","90","","5035.1","0.3","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C20 H36 B6 Ir2 -","- C20 H36 B6 Ir2 -","- C160 H288 B48 Ir16 -","8","2","","Roy, Dipak Kumar; Borthakur, Rosmita; Prakash, Rini; Bhattacharya, Somnath; Jagan, Rajamony; Ghosh, Sundargopal","Hypoelectronic 8-11-Vertex Irida- and Rhodaboranes.","Inorganic chemistry","2016","55","10","4764","4770","10.1021/acs.inorgchem.6b00076","","","0.71073","MoKα","","0.0714","0.0437","","","0.0858","0.1002","","","","","","1.163","","","","has coordinates","232286","2020-10-21","18:00:00",""
"4347358","16.4805","0.0014","19.9995","0.0011","16.6991","0.0014","90","","117.242","0.011","90","","4893.5","0.8","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H36 B6 Ir2 -","- C20 H36 B6 Ir2 -","- C160 H288 B48 Ir16 -","8","2","","Roy, Dipak Kumar; Borthakur, Rosmita; Prakash, Rini; Bhattacharya, Somnath; Jagan, Rajamony; Ghosh, Sundargopal","Hypoelectronic 8-11-Vertex Irida- and Rhodaboranes.","Inorganic chemistry","2016","55","10","4764","4770","10.1021/acs.inorgchem.6b00076","","","0.71073","MoKα","","0.1212","0.0831","","","0.2211","0.2706","","","","","","1.077","","","","has coordinates","232286","2020-10-21","18:00:00",""
"4347359","9.1768","0.0002","9.2116","0.0002","16.3496","0.0004","99.379","0.001","101.76","0.001","102.741","0.001","1288.09","0.05","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C20 H37 B7 Ir2 -","- C20 H37 B7 Ir2 -","- C40 H74 B14 Ir4 -","2","1","","Roy, Dipak Kumar; Borthakur, Rosmita; Prakash, Rini; Bhattacharya, Somnath; Jagan, Rajamony; Ghosh, Sundargopal","Hypoelectronic 8-11-Vertex Irida- and Rhodaboranes.","Inorganic chemistry","2016","55","10","4764","4770","10.1021/acs.inorgchem.6b00076","","","0.71073","MoKα","","0.0427","0.033","","","0.086","0.0952","","","","","","1.062","","","","has coordinates,has disorder","232286","2020-10-21","18:00:00",""
"4347360","23.9473","0.001","23.9473","0.001","9.1337","0.0004","90","","90","","90","","5237.9","0.4","296","2","296","2","","","","","","","","4","P 42 b c","P 4c -2ab","106","","","","- C20 H38 B8 Ir2 -","- C20 H38 B8 Ir2 -","- C160 H304 B64 Ir16 -","8","1","","Roy, Dipak Kumar; Borthakur, Rosmita; Prakash, Rini; Bhattacharya, Somnath; Jagan, Rajamony; Ghosh, Sundargopal","Hypoelectronic 8-11-Vertex Irida- and Rhodaboranes.","Inorganic chemistry","2016","55","10","4764","4770","10.1021/acs.inorgchem.6b00076","","","0.71073","MoKα","","0.0471","0.0313","","","0.0654","0.076","","","","","","1.229","","","","has coordinates","232286","2020-10-21","18:00:00",""
"4347361","17.8713","0.0014","9.5072","0.0007","14.8172","0.0011","90","","90","","90","","2517.5","0.3","296","2","296","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C20 H38 B8 Ir2 -","- C20 H38 B8 Ir2 -","- C80 H152 B32 Ir8 -","4","1","","Roy, Dipak Kumar; Borthakur, Rosmita; Prakash, Rini; Bhattacharya, Somnath; Jagan, Rajamony; Ghosh, Sundargopal","Hypoelectronic 8-11-Vertex Irida- and Rhodaboranes.","Inorganic chemistry","2016","55","10","4764","4770","10.1021/acs.inorgchem.6b00076","","","0.71073","MoKα","","0.0462","0.038","","","0.0758","0.0792","","","","","","1.016","","","","has coordinates","232286","2020-10-21","18:00:00",""
"4347362","19.8685","0.0016","14.4875","0.001","24.6277","0.0013","90","","90","","90","","7089","0.8","296","2","296","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C10 H25 B9 Rh -","- C10 H25 B9 Rh -","- C160 H400 B144 Rh16 -","16","2","","Roy, Dipak Kumar; Borthakur, Rosmita; Prakash, Rini; Bhattacharya, Somnath; Jagan, Rajamony; Ghosh, Sundargopal","Hypoelectronic 8-11-Vertex Irida- and Rhodaboranes.","Inorganic chemistry","2016","55","10","4764","4770","10.1021/acs.inorgchem.6b00076","","","0.71073","MoKα","","0.0948","0.0681","","","0.1598","0.1817","","","","","","1.08","","","","has coordinates","232286","2020-10-21","18:00:00",""
"4347363","8.5307","0.0004","14.5958","0.0006","21.0227","0.0009","90","","100.675","0.002","90","","2572.3","0.2","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C20 H39 B9 Ir2 -","- C20 H39 B9 Ir2 -","- C80 H156 B36 Ir8 -","4","1","","Roy, Dipak Kumar; Borthakur, Rosmita; Prakash, Rini; Bhattacharya, Somnath; Jagan, Rajamony; Ghosh, Sundargopal","Hypoelectronic 8-11-Vertex Irida- and Rhodaboranes.","Inorganic chemistry","2016","55","10","4764","4770","10.1021/acs.inorgchem.6b00076","","","0.71073","MoKα","","0.0535","0.0404","","","0.0824","0.0886","","","","","","1.1","","","","has coordinates","232286","2020-10-21","18:00:00",""
"4347364","8.574","0.0002","14.7851","0.0004","21.0913","0.0005","90","","100.863","0.0012","90","","2625.78","0.11","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C20 H39 B9 Rh2 -","- C20 H39 B9 Rh2 -","- C80 H156 B36 Rh8 -","4","1","","Roy, Dipak Kumar; Borthakur, Rosmita; Prakash, Rini; Bhattacharya, Somnath; Jagan, Rajamony; Ghosh, Sundargopal","Hypoelectronic 8-11-Vertex Irida- and Rhodaboranes.","Inorganic chemistry","2016","55","10","4764","4770","10.1021/acs.inorgchem.6b00076","","","0.71073","MoKα","","0.051","0.0372","","","0.0888","0.0961","","","","","","1.029","","","","has coordinates","232286","2020-10-21","18:00:00",""
"4347365","34.693","0.003","15.4852","0.0013","12.4208","0.001","90","","90","","90","","6672.8","1","296","2","296","2","","","","","","","","5","P c a 21","P 2c -2ac","29","Cerium(III) PDA","","","- C84 H39 Ce3 N12 O24 -","- C84 H39 Ce3 N12 O24 -","- C336 H156 Ce12 N48 O96 -","4","1","","Cary, Samantha K.; Ferrier, Maryline G.; Baumbach, Ryan E.; Silver, Mark A.; Lezama Pacheco, Juan; Kozimor, Stosh A.; La Pierre, Henry S.; Stein, Benjamin W.; Arico, Alexandra A.; Gray, Danielle L.; Albrecht-Schmitt, Thomas E","Monomers, Dimers, and Helices: Complexities of Cerium and Plutonium Phenanthrolinecarboxylates.","Inorganic chemistry","2016","55","9","4373","4380","10.1021/acs.inorgchem.6b00077","","","0.71073","MoKα","","0.0704","0.0478","","","0.1109","0.1243","","","","","","1.058","","","","has coordinates","232287","2020-10-21","18:00:00",""
"4347366","10.888","0.001","18.3035","0.0017","7.9458","0.0007","90","","93.609","0.002","90","","1580.4","0.2","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","Cerium(III) 1,10-phenanthroline-2,9-dicarboxylic acid","","","- C14 H6 Ce Cl N2 O7 -","- C14 H6 Ce Cl N2 O7 -","- C56 H24 Ce4 Cl4 N8 O28 -","4","1","","Cary, Samantha K.; Ferrier, Maryline G.; Baumbach, Ryan E.; Silver, Mark A.; Lezama Pacheco, Juan; Kozimor, Stosh A.; La Pierre, Henry S.; Stein, Benjamin W.; Arico, Alexandra A.; Gray, Danielle L.; Albrecht-Schmitt, Thomas E","Monomers, Dimers, and Helices: Complexities of Cerium and Plutonium Phenanthrolinecarboxylates.","Inorganic chemistry","2016","55","9","4373","4380","10.1021/acs.inorgchem.6b00077","","","0.71073","MoKα","","0.03","0.0226","","","0.0523","0.0548","","","","","","1.07","","","","has coordinates","232287","2020-10-21","18:00:00",""
"4347367","7.7651","0.0007","11.2347","0.001","14.3242","0.0013","95.438","0.002","99.372","0.002","109.915","0.001","1143.91","0.18","100","2","100","2","","","","","","","","5","P -1","-P 1","2","Pu(IV) 1,10-phenanthroline-2,9-dicarboxylic acid","","","- C56 H24 N8 O16 Pu2 -","- C56 H24 N8 O16 Pu2 -","- C56 H24 N8 O16 Pu2 -","1","0.5","","Cary, Samantha K.; Ferrier, Maryline G.; Baumbach, Ryan E.; Silver, Mark A.; Lezama Pacheco, Juan; Kozimor, Stosh A.; La Pierre, Henry S.; Stein, Benjamin W.; Arico, Alexandra A.; Gray, Danielle L.; Albrecht-Schmitt, Thomas E","Monomers, Dimers, and Helices: Complexities of Cerium and Plutonium Phenanthrolinecarboxylates.","Inorganic chemistry","2016","55","9","4373","4380","10.1021/acs.inorgchem.6b00077","","","0.71073","MoKα","","0.0473","0.0356","","","0.0691","0.073","","","","","","1.078","","","","has coordinates","232287","2020-10-21","18:00:00",""
"4347368","9.4747","0.0003","9.9428","0.0003","11.4356","0.0004","87.201","0.0004","69.53","0.0004","69.006","0.0004","938.66","0.05","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C17 H13 Cl3 N3 O3 Re -","- C17 H13 Cl3 N3 O3 Re -","- C34 H26 Cl6 N6 O6 Re2 -","2","1","","Stanton, 3rd, Charles J; Machan, Charles W.; Vandezande, Jonathon E.; Jin, Tong; Majetich, George F.; Schaefer, 3rd, Henry F; Kubiak, Clifford P.; Li, Gonghu; Agarwal, Jay","Re(I) NHC Complexes for Electrocatalytic Conversion of CO2.","Inorganic chemistry","2016","55","6","3136","3144","10.1021/acs.inorgchem.6b00079","","","0.71073","MoKα","","0.0128","0.0125","","","0.0296","0.0297","","","","","","1.096","","","","has coordinates","232288","2020-10-21","18:00:00",""
"4347369","10.6001","0.0013","10.6467","0.0013","13.6674","0.0017","90","","99.868","0.002","90","","1519.6","0.3","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C15 H10 Cl N4 O3 Re -","- C15 H10 Cl N4 O3 Re -","- C60 H40 Cl4 N16 O12 Re4 -","4","1","","Stanton, 3rd, Charles J; Machan, Charles W.; Vandezande, Jonathon E.; Jin, Tong; Majetich, George F.; Schaefer, 3rd, Henry F; Kubiak, Clifford P.; Li, Gonghu; Agarwal, Jay","Re(I) NHC Complexes for Electrocatalytic Conversion of CO2.","Inorganic chemistry","2016","55","6","3136","3144","10.1021/acs.inorgchem.6b00079","","","0.71073","MoKα","","0.0391","0.0328","","","0.0977","0.1035","","","","","","1.044","","","","has coordinates","232289","2020-10-21","18:00:00",""
"4347370","11.0829","0.0003","13.6669","0.0004","15.3382","0.0005","90","","90","","90","","2323.26","0.12","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C31 H21 O4 P -","- C31 H21 O4 P -","- C124 H84 O16 P4 -","4","1","","Christianson, Anna M.; Gabbaï, François P","Synthesis and Coordination Chemistry of a Phosphine-Decorated Fluorescein: ""Double Turn-On"" Sensing of Gold(III) Ions in Water.","Inorganic chemistry","2016","55","12","5828","5835","10.1021/acs.inorgchem.6b00080","","","0.71073","MoKα","","0.0642","0.0433","","","0.0823","0.0871","","","","","","1.083","","","","has coordinates,has disorder","232290","2020-10-21","18:00:00",""
"4347371","16.2869","0.0016","11.0402","0.0011","16.8176","0.0017","90","","113.422","0.001","90","","2774.8","0.5","110","2","110","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C32.58 H24.67 Au Cl N0.52 O3.53 P -","- C32.581 H24.677 Au Cl N0.527 O3.527 P -","- C130.324 H98.708 Au4 Cl4 N2.108 O14.108 P4 -","4","1","","Christianson, Anna M.; Gabbaï, François P","Synthesis and Coordination Chemistry of a Phosphine-Decorated Fluorescein: ""Double Turn-On"" Sensing of Gold(III) Ions in Water.","Inorganic chemistry","2016","55","12","5828","5835","10.1021/acs.inorgchem.6b00080","","","0.71073","MoKα","","0.0416","0.0287","","","0.059","0.0644","","","","","","1.031","","","","has coordinates,has disorder","232292","2020-10-21","18:00:00",""
"4347372","30.594","0.002","30.594","0.002","15.9646","0.0015","90","","90","","120","","12940.8","1.7","296","2","296","2","","","","","","","","4","R -3 c :H","-R 3 2""c","167","","","","- C24 H16 N10 Ni -","- C24 H16 N10 Ni -","- C432 H288 N180 Ni18 -","18","0.5","","Gao, Xiaonan; Fu, Ai-Yun; Wang, Yao-Yu","Shape-Asymmetry Supramolecular Isomerism in Asymmetrical Ligand PCPs and the Expression Method of Three-Level Isomerism.","Inorganic chemistry","2016","55","9","4330","4334","10.1021/acs.inorgchem.6b00081","","","0.71073","MoKα","","0.2368","0.0703","","","0.0796","0.0994","","","","","","1.019","","","","has coordinates","232293","2020-10-21","18:00:00",""
"4347373","9.113","0.002","15.904","0.004","16.014","0.005","73.488","0.005","74.016","0.005","76.264","0.005","2107.1","1","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C72 H48 N30 Ni3 -","- C72 H48 N30 Ni3 -","- C72 H48 N30 Ni3 -","1","0.5","","Gao, Xiaonan; Fu, Ai-Yun; Wang, Yao-Yu","Shape-Asymmetry Supramolecular Isomerism in Asymmetrical Ligand PCPs and the Expression Method of Three-Level Isomerism.","Inorganic chemistry","2016","55","9","4330","4334","10.1021/acs.inorgchem.6b00081","","","0.71073","MoKα","","0.1195","0.0635","","","0.1292","0.1394","","","","","","1.046","","","","has coordinates","232293","2020-10-21","18:00:00",""
"4347374","27.7371","0.0017","27.7371","0.0017","9.6225","0.0012","90","","90","","120","","6411.2","1","296","2","296","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- C24 H16 N10 Ni -","- C24 H16 N10 Ni -","- C216 H144 N90 Ni9 -","9","0.5","","Gao, Xiaonan; Fu, Ai-Yun; Wang, Yao-Yu","Shape-Asymmetry Supramolecular Isomerism in Asymmetrical Ligand PCPs and the Expression Method of Three-Level Isomerism.","Inorganic chemistry","2016","55","9","4330","4334","10.1021/acs.inorgchem.6b00081","","","0.71073","MoKα","","0.1342","0.0475","","","0.0823","0.0926","","","","","","1.038","","","","has coordinates","232293","2020-10-21","18:00:00",""
"4347375","9.063","0.003","14.691","0.005","9.143","0.003","90","","106.547","0.005","90","","1166.9","0.7","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H16.52 N10 Ni O0.26 -","- C24 H16.52 N10 Ni O0.26 -","- C48 H33.04 N20 Ni2 O0.52 -","2","0.5","","Gao, Xiaonan; Fu, Ai-Yun; Wang, Yao-Yu","Shape-Asymmetry Supramolecular Isomerism in Asymmetrical Ligand PCPs and the Expression Method of Three-Level Isomerism.","Inorganic chemistry","2016","55","9","4330","4334","10.1021/acs.inorgchem.6b00081","","","0.71073","MoKα","","0.0274","0.0247","","","0.067","0.0695","","","","","","1.058","","","","has coordinates","232293","2020-10-21","18:00:00",""
"4347376","7.8209","0.0005","21.6264","0.0014","11.6972","0.0007","90","","90","","90","","1978.4","0.2","200","2","200","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C17 H14 F6 N8 Pt -","- C17 H14 F6 N8 Pt -","- C68 H56 F24 N32 Pt4 -","4","0.5","","Liao, Jia-Ling; Chi, Yun; Wang, Jin-Yun; Chen, Zhong-Ning; Tsai, Zheng-Hua; Hung, Wen-Yi; Tseng, Meu-Rurng; Lee, Gene-Hsiang","Pt(II) Phosphors Featuring Both Dicarbene and Functional Biazolate Chelates: Synthesis, Luminescent Properties, and Applications in Organic Light-Emitting Diodes.","Inorganic chemistry","2016","55","13","6394","6404","10.1021/acs.inorgchem.6b00097","","","0.71073","MoKα","","0.0246","0.0221","","","0.0505","0.0517","","","","","","1.059","","","","has coordinates,has disorder","232294","2020-10-21","18:00:00",""
"4347377","11.5196","0.0006","12.2014","0.0007","13.1408","0.0007","67.4083","0.0011","65.8115","0.001","83.5424","0.0012","1553.34","0.15","200","2","200","2","","","","","","","","6","P -1","-P 1","2","","","","- C24.5 H29 Cl3 F6 N8 Pt -","- C24.5 H29 Cl3 F6 N8 Pt -","- C49 H58 Cl6 F12 N16 Pt2 -","2","1","","Liao, Jia-Ling; Chi, Yun; Wang, Jin-Yun; Chen, Zhong-Ning; Tsai, Zheng-Hua; Hung, Wen-Yi; Tseng, Meu-Rurng; Lee, Gene-Hsiang","Pt(II) Phosphors Featuring Both Dicarbene and Functional Biazolate Chelates: Synthesis, Luminescent Properties, and Applications in Organic Light-Emitting Diodes.","Inorganic chemistry","2016","55","13","6394","6404","10.1021/acs.inorgchem.6b00097","","","0.71073","MoKα","","0.0387","0.0349","","","0.0842","0.0863","","","","","","1.063","","","","has coordinates,has disorder","232294","2020-10-21","18:00:00",""
"4347378","10.2995","0.0006","10.7219","0.0006","14.7831","0.0008","96.1523","0.0012","103.387","0.0012","98.3918","0.0012","1554.2","0.15","200","2","200","2","","","","","","","","6","P -1","-P 1","2","","","","- C29 H34 F6 N6 O Pt -","- C29 H34 F6 N6 O Pt -","- C58 H68 F12 N12 O2 Pt2 -","2","1","","Liao, Jia-Ling; Chi, Yun; Wang, Jin-Yun; Chen, Zhong-Ning; Tsai, Zheng-Hua; Hung, Wen-Yi; Tseng, Meu-Rurng; Lee, Gene-Hsiang","Pt(II) Phosphors Featuring Both Dicarbene and Functional Biazolate Chelates: Synthesis, Luminescent Properties, and Applications in Organic Light-Emitting Diodes.","Inorganic chemistry","2016","55","13","6394","6404","10.1021/acs.inorgchem.6b00097","","","0.71073","MoKα","","0.0337","0.0288","","","0.064","0.0661","","","","","","1.023","","","","has coordinates","232294","2020-10-21","18:00:00",""
"4347379","12.431","0.003","8.2243","0.0012","16.179","0.003","90","","103.514","0.018","90","","1608.3","0.6","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C16 H21 N3 -","- C16 H21 N3 -","- C64 H84 N12 -","4","1","","Chen, Yuxiang; Cao, Wei; Wang, Chiming; Qi, Dongdong; Wang, Kang; Jiang, Jianzhuang","Four Dibutylamino Substituents Are Better Than Eight in Modulating the Electronic Structure and Third-Order Nonlinear-Optical Properties of Phthalocyanines.","Inorganic chemistry","2016","55","6","3151","3160","10.1021/acs.inorgchem.6b00100","","","0.71073","MoKα","","0.1758","0.083","","","0.2276","0.2915","","","","","","0.983","","","","has coordinates","232295","2020-10-21","18:00:00",""
"4347380","14.2971","0.0014","9.9436","0.001","17.5443","0.0018","90","","108.113","0.011","90","","2370.6","0.4","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C24 H38 N4 -","- C24 H38 N4 -","- C96 H152 N16 -","4","1","","Chen, Yuxiang; Cao, Wei; Wang, Chiming; Qi, Dongdong; Wang, Kang; Jiang, Jianzhuang","Four Dibutylamino Substituents Are Better Than Eight in Modulating the Electronic Structure and Third-Order Nonlinear-Optical Properties of Phthalocyanines.","Inorganic chemistry","2016","55","6","3151","3160","10.1021/acs.inorgchem.6b00100","","","0.71073","MoKα","","0.1004","0.0513","","","0.1252","0.1494","","","","","","0.967","","","","has coordinates","232296","2020-10-21","18:00:00",""
"4347381","11.8019","0.0015","12.1788","0.0015","12.6763","0.0015","77.751","0.005","77.748","0.005","63.279","0.004","1576.1","0.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C47 H68 N8 Ni4 O21 P2 -","- C47 H65 N8 Ni4 O21 P2 -","- C47 H65 N8 Ni4 O21 P2 -","1","0.5","","Escuer, Albert; Mayans, Júlia; Font-Bardia, Mercè","Linked Nickel Metallacrowns from a Phosphonate/2-Pyridyloximate Blend of Ligands: Structure and Magnetic Properties.","Inorganic chemistry","2016","55","6","3161","3168","10.1021/acs.inorgchem.6b00103","","","0.71073","MoKα","","0.0764","0.0597","","","0.1499","0.1614","","","","","","1.074","","","","has coordinates,has disorder","232297","2020-10-21","18:00:00",""
"4347382","15.7965","0.0019","16.522","0.002","16.532","0.002","82.452","0.005","80.595","0.005","78.461","0.005","4148.9","0.9","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C60 H91 Cs2 N12 Ni6 O32 P3 -","- C60 H69 Cs2 N12 Ni6 O32 P3 -","- C120 H138 Cs4 N24 Ni12 O64 P6 -","2","1","","Escuer, Albert; Mayans, Júlia; Font-Bardia, Mercè","Linked Nickel Metallacrowns from a Phosphonate/2-Pyridyloximate Blend of Ligands: Structure and Magnetic Properties.","Inorganic chemistry","2016","55","6","3161","3168","10.1021/acs.inorgchem.6b00103","","","0.71073","MoKα","","0.071","0.0619","","","0.1464","0.1523","","","","","","1.137","","","","has coordinates,has disorder","232297","2020-10-21","18:00:00",""
"4347383","23.042","0.0013","23.042","0.0013","23.042","0.0013","90","","90","","90","","12233.8","1.2","100","2","100","2","","","","","","","","8","P 21 3","P 2ac 2ab 3","198","","","","- C103 H109 Cl5 Cs N24 Ni8 O42 P3 -","- C103 H105 Cl5 Cs N24 Ni8 O42 P3 -","- C412 H420 Cl20 Cs4 N96 Ni32 O168 P12 -","4","0.333333","","Escuer, Albert; Mayans, Júlia; Font-Bardia, Mercè","Linked Nickel Metallacrowns from a Phosphonate/2-Pyridyloximate Blend of Ligands: Structure and Magnetic Properties.","Inorganic chemistry","2016","55","6","3161","3168","10.1021/acs.inorgchem.6b00103","","","0.71073","MoKα","","0.0773","0.0723","","","0.2016","0.2068","","","","","","1.068","","","","has coordinates","232297","2020-10-21","18:00:00",""
"4347384","18.6908","0.0008","18.6908","0.0008","22.3049","0.0009","90","","90","","120","","6748.2","0.5","100","2","100","2","","","","","","","","7","P -6 2 c","P -6c -2c","190","","","","- C102 H97.5 N12 Na2 Ni8 O33 P3 -","- C102 H87 N12 Na2 Ni8 O33 P3 -","- C204 H174 N24 Na4 Ni16 O66 P6 -","2","0.166667","","Escuer, Albert; Mayans, Júlia; Font-Bardia, Mercè","Linked Nickel Metallacrowns from a Phosphonate/2-Pyridyloximate Blend of Ligands: Structure and Magnetic Properties.","Inorganic chemistry","2016","55","6","3161","3168","10.1021/acs.inorgchem.6b00103","","","0.71073","MoKα","","0.0428","0.0391","","","0.1073","0.11","","","","","","1.107","","","","has coordinates","289268","2024-02-02","08:58:43",""
"4347385","7.6789","0.0002","13.7771","0.0004","8.708","0.0003","90","","107.606","0.003","90","","878.09","0.05","120","2","120","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C9 H18 Cu2 N4 O12 S -","- C9 H18 Cu2 N4 O12 S -","- C18 H36 Cu4 N8 O24 S2 -","2","0.5","","Gómez-García, Carlos J; Escrivà, Emilio; Benmansour, Samia; Borràs-Almenar, Juan J; Folgado, José-Vicente; Ramírez de Arellano, Carmen","Alternating Ferro/Antiferromagnetic Copper(II) Chain Containing an Unprecedented Triple Formato/Hydroxido/Sulfato Bridge.","Inorganic chemistry","2016","55","5","2664","2671","10.1021/acs.inorgchem.6b00105","","","0.71073","MoKα","","0.0455","0.034","","","0.0756","0.0841","","","","","","1.035","","","","has coordinates,has disorder","232298","2020-10-21","18:00:00",""
"4347386","7.6724","0.0004","13.749","0.0005","8.71","0.0004","90","","107.531","0.003","90","","876.12","0.07","120","2","120","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C9 H18 Cu2 N4 O12 S -","- C9 H18 Cu2 N4 O12 S -","- C18 H36 Cu4 N8 O24 S2 -","2","0.5","","Gómez-García, Carlos J; Escrivà, Emilio; Benmansour, Samia; Borràs-Almenar, Juan J; Folgado, José-Vicente; Ramírez de Arellano, Carmen","Alternating Ferro/Antiferromagnetic Copper(II) Chain Containing an Unprecedented Triple Formato/Hydroxido/Sulfato Bridge.","Inorganic chemistry","2016","55","5","2664","2671","10.1021/acs.inorgchem.6b00105","","","0.71073","MoKα","","0.0334","0.0285","","","0.0674","0.072","","","","","","1.049","","","","has coordinates,has disorder","232299","2020-10-21","18:00:00",""
"4347387","14.034","0.0003","13.3498","0.0002","50.7076","0.0009","90","","94.657","0.001","90","","9468.8","0.3","133","2","133","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C80 H58 B4 Co4 F16 N34 -","- C80 H58 B4 Co4 F16 N34 -","- C320 H232 B16 Co16 F64 N136 -","4","1","","Tong, Jin; Demeshko, Serhiy; John, Michael; Dechert, Sebastian; Meyer, Franc","Redox-Induced Single-Molecule Magnetism in Mixed-Valent [2 ×2] Co4 Grid Complexes.","Inorganic chemistry","2016","55","9","4362","4372","10.1021/acs.inorgchem.6b00106","","","0.71073","MoKα","","0.0682","0.0542","","","0.1444","0.1528","","","","","","1.032","","","","has coordinates","232300","2020-10-21","18:00:00",""
"4347388","17.2359","0.0003","17.2359","0.0003","13.2617","0.0002","90","","90","","90","","3939.74","0.11","133","2","133","2","","","","","","","","6","P 42/n :2","-P 4bc","86","","","","- C80 H60 B4 Co4 F16 N32 -","- C80 H60 B4 Co4 F16 N32 -","- C160 H120 B8 Co8 F32 N64 -","2","0.25","","Tong, Jin; Demeshko, Serhiy; John, Michael; Dechert, Sebastian; Meyer, Franc","Redox-Induced Single-Molecule Magnetism in Mixed-Valent [2 ×2] Co4 Grid Complexes.","Inorganic chemistry","2016","55","9","4362","4372","10.1021/acs.inorgchem.6b00106","","","0.71073","MoKα","","0.0359","0.0314","","","0.0751","0.0775","","","","","","1.08","","","","has coordinates,has disorder","232300","2020-10-21","18:00:00",""
"4347389","12.5051","0.0006","23.2553","0.0006","29.48","0.0012","90","","94.046","0.004","90","","8551.7","0.6","133","2","133","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C78 H55 B6 Co4 F24 N33 O0.5 -","- C78 H55 B6 Co4 F24 N33 O0.5 -","- C312 H220 B24 Co16 F96 N132 O2 -","4","1","","Tong, Jin; Demeshko, Serhiy; John, Michael; Dechert, Sebastian; Meyer, Franc","Redox-Induced Single-Molecule Magnetism in Mixed-Valent [2 ×2] Co4 Grid Complexes.","Inorganic chemistry","2016","55","9","4362","4372","10.1021/acs.inorgchem.6b00106","","","0.71073","MoKα","","0.1161","0.0966","","","0.2244","0.2331","","","","","","1.154","","","","has coordinates,has disorder","232300","2020-10-21","18:00:00",""
"4347390","24.7367","0.0004","24.7367","0.0004","36.3344","0.0007","90","","90","","90","","22233.2","0.7","133","2","133","2","","","","","","","","6","I 41/a c d :2","-I 4bd 2c","142","","","","- C80 H60 B6 Co4 F24 N32 -","- C80 H60 B6 Co4 F24 N32 -","- C640 H480 B48 Co32 F192 N256 -","8","0.25","","Tong, Jin; Demeshko, Serhiy; John, Michael; Dechert, Sebastian; Meyer, Franc","Redox-Induced Single-Molecule Magnetism in Mixed-Valent [2 ×2] Co4 Grid Complexes.","Inorganic chemistry","2016","55","9","4362","4372","10.1021/acs.inorgchem.6b00106","","","0.71073","MoKα","","0.0818","0.0738","","","0.1527","0.1569","","","","","","1.174","","","","has coordinates,has disorder","232300","2020-10-21","18:00:00",""
"4347391","12.5851","0.0015","18.547","0.003","17.66","0.003","90","","102.982","0.006","90","","4016.8","1.1","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- As2 H64 Na0.75 O102 Rb9.25 Sb4 W18 -","- As2 H4 O85 Rb10 Sb4 W18 -","- As4 H8 O170 Rb20 Sb8 W36 -","2","0.5","","Yang, Peng; Lin, Zhengguo; Bassil, Bassem S.; Alfaro-Espinoza, Gabriela; Ullrich, Matthias S.; Li, Ming-Xing; Silvestru, Cristian; Kortz, Ulrich","Tetra-Antimony(III)-Bridged 18-Tungsto-2-Arsenates(V), [(LSb(III))4(A-α-As(V)W9O34)2](10-) (L = Ph, OH): Turning Bioactivity On and Off by Ligand Substitution.","Inorganic chemistry","2016","55","8","3718","3720","10.1021/acs.inorgchem.6b00107","","","0.71073","MoKα","","0.0307","0.0277","","","0.0885","0.0907","","","","","","1.004","","","","has coordinates","232301","2020-10-21","18:00:00",""
"4347392","18.5072","0.0012","24.724","0.0016","26.102","0.0019","90","","109.27","0.004","90","","11274.4","1.3","100","2","100","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C24 H92 As2 Cs6.5 Na3.5 O104 Sb4 W18 -","- C24 H20 As2 Cs5.8 Na2.5 O92.25 Sb4 W18 -","- C96 H80 As8 Cs23.2 Na10 O369 Sb16 W72 -","4","0.5","","Yang, Peng; Lin, Zhengguo; Bassil, Bassem S.; Alfaro-Espinoza, Gabriela; Ullrich, Matthias S.; Li, Ming-Xing; Silvestru, Cristian; Kortz, Ulrich","Tetra-Antimony(III)-Bridged 18-Tungsto-2-Arsenates(V), [(LSb(III))4(A-α-As(V)W9O34)2](10-) (L = Ph, OH): Turning Bioactivity On and Off by Ligand Substitution.","Inorganic chemistry","2016","55","8","3718","3720","10.1021/acs.inorgchem.6b00107","","","0.71073","MoKα","","0.0779","0.0489","","","0.1168","0.1348","","","","","","1.001","","","","has coordinates","232302","2020-10-21","18:00:00",""
"4347393","17.3425","0.0004","25.9777","0.0004","23.4294","0.0004","90","","111.68","0.002","90","","9808.7","0.3","130.01","0.1","130.01","0.1","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C H84 Na11 O116 P2 W18 Y3 -","- C Na11 O116 P2 W18 Y3 -","- C4 Na44 O464 P8 W72 Y12 -","4","1","","Giansiracusa, Marcus J.; Vonci, Michele; Van den Heuvel, Willem; Gable, Robert W.; Moubaraki, Boujemaa; Murray, Keith S.; Yu, Dehong; Mole, Richard A.; Soncini, Alessandro; Boskovic, Colette","Carbonate-Bridged Lanthanoid Triangles: Single-Molecule Magnet Behavior, Inelastic Neutron Scattering, and Ab Initio Studies.","Inorganic chemistry","2016","55","11","5201","5214","10.1021/acs.inorgchem.6b00108","","x-ray","0.71073","MoKα","","0.0931","0.0667","","","0.1646","0.1909","","","","","","1.066","","","","has coordinates,has disorder","232303","2020-10-21","18:00:00",""
"4347394","17.38631","0.00015","26.04125","0.00018","23.4293","0.0002","90","","111.602","0.001","90","","9862.85","0.15","130.01","0.1","130.01","0.1","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C H84 Na11 O116 P2 Tb3 W18 -","- C Na11 O114.883 P2 Tb3 W18 -","- C4 Na44 O459.532 P8 Tb12 W72 -","4","1","","Giansiracusa, Marcus J.; Vonci, Michele; Van den Heuvel, Willem; Gable, Robert W.; Moubaraki, Boujemaa; Murray, Keith S.; Yu, Dehong; Mole, Richard A.; Soncini, Alessandro; Boskovic, Colette","Carbonate-Bridged Lanthanoid Triangles: Single-Molecule Magnet Behavior, Inelastic Neutron Scattering, and Ab Initio Studies.","Inorganic chemistry","2016","55","11","5201","5214","10.1021/acs.inorgchem.6b00108","","x-ray","1.54184","CuKα","","0.0382","0.0315","","","0.0693","0.0723","","","","","","1.066","","","","has coordinates,has disorder","232303","2020-10-21","18:00:00",""
"4347395","17.38612","0.00011","26.04781","0.00013","23.41801","0.00014","90","","111.642","0.0007","90","","9857.69","0.11","130.01","0.1","130.01","0.1","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C H84 Dy3 Na11 O116 P2 W18 -","- C Dy3 Na11 O116 P2 W18 -","- C4 Dy12 Na44 O464 P8 W72 -","4","1","","Giansiracusa, Marcus J.; Vonci, Michele; Van den Heuvel, Willem; Gable, Robert W.; Moubaraki, Boujemaa; Murray, Keith S.; Yu, Dehong; Mole, Richard A.; Soncini, Alessandro; Boskovic, Colette","Carbonate-Bridged Lanthanoid Triangles: Single-Molecule Magnet Behavior, Inelastic Neutron Scattering, and Ab Initio Studies.","Inorganic chemistry","2016","55","11","5201","5214","10.1021/acs.inorgchem.6b00108","","x-ray","1.54184","CuKα","","0.038","0.0326","","","0.0758","0.0796","","","","","","1.048","","","","has coordinates,has disorder","232303","2020-10-21","18:00:00",""
"4347396","17.31868","0.00014","25.97724","0.00015","23.3379","0.0002","90","","111.488","0.001","90","","9769.73","0.14","130","0.1","130","0.1","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C H84 Ho3 Na11 O116 P2 W18 -","- C Ho3 Na11.001 O114 P2 W18 -","- C4 Ho12 Na44.004 O456 P8 W72 -","4","1","","Giansiracusa, Marcus J.; Vonci, Michele; Van den Heuvel, Willem; Gable, Robert W.; Moubaraki, Boujemaa; Murray, Keith S.; Yu, Dehong; Mole, Richard A.; Soncini, Alessandro; Boskovic, Colette","Carbonate-Bridged Lanthanoid Triangles: Single-Molecule Magnet Behavior, Inelastic Neutron Scattering, and Ab Initio Studies.","Inorganic chemistry","2016","55","11","5201","5214","10.1021/acs.inorgchem.6b00108","","","1.54184","CuKα","","0.0307","0.028","","","0.0665","0.0678","","","","","","1.131","","","","has coordinates,has disorder","232303","2020-10-21","18:00:00",""
"4347397","17.37028","0.00019","26.044","0.0002","23.4126","0.0003","90","","111.668","0.0013","90","","9843.2","0.2","135","7","135","7","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C H84 Er3 Na11 O116 P2 W18 -","- C Er3 Na11 O116 P2 W18 -","- C4 Er12 Na44 O464 P8 W72 -","4","1","","Giansiracusa, Marcus J.; Vonci, Michele; Van den Heuvel, Willem; Gable, Robert W.; Moubaraki, Boujemaa; Murray, Keith S.; Yu, Dehong; Mole, Richard A.; Soncini, Alessandro; Boskovic, Colette","Carbonate-Bridged Lanthanoid Triangles: Single-Molecule Magnet Behavior, Inelastic Neutron Scattering, and Ab Initio Studies.","Inorganic chemistry","2016","55","11","5201","5214","10.1021/acs.inorgchem.6b00108","","","1.54184","CuKα","","0.0337","0.0312","","","0.0737","0.0748","","","","","","1.142","","","","has coordinates,has disorder","232303","2020-10-21","18:00:00",""
"4347398","10.7045","0.0004","34.7385","0.0012","17.986","0.0006","90","","101.069","0.001","90","","6563.8","0.4","173","2","173","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C55.5 H39.5 Ba3 La0.5 N2 O18.5 -","- C55.5 H36.5 Ba3 La0.5 N O18.5 -","- C222 H146 Ba12 La2 N4 O74 -","4","1","","Ding, Bin; Liu, Shi Xin; Cheng, Yue; Guo, Chao; Wu, Xiang Xia; Guo, Jian Hua; Liu, Yuan Yuan; Li, Yan","Heterometallic Alkaline Earth-Lanthanide Ba(II)-La(III) Microporous Metal-Organic Framework as Bifunctional Luminescent Probes of Al(3+) and MnO4(.).","Inorganic chemistry","2016","55","9","4391","4402","10.1021/acs.inorgchem.6b00111","","","0.71073","MoKα","","0.0333","0.0317","","","0.0804","0.0814","","","","","","1.055","","","","has coordinates,has disorder","232304","2020-10-21","18:00:00",""
"4347399","8.8195","0.0007","14.5411","0.0012","17.658","0.0013","67.988","0.004","83.402","0.004","73.74","0.004","2015.4","0.3","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C36 H52 Cl4 Cu2 N8 O2 P0 -","- C36 H52 Cl4 Cu2 N8 O2 -","- C72 H104 Cl8 Cu4 N16 O4 -","2","1","","Mesquita, Lígia M; Herrera, Federico; Esteves, Catarina V.; Lamosa, Pedro; André, Vânia; Mateus, Pedro; Delgado, Rita","Inhibition of the STAT3 Protein by a Dinuclear Macrocyclic Complex.","Inorganic chemistry","2016","55","7","3589","3598","10.1021/acs.inorgchem.6b00116","","","0.71069","MoKα","","0.0755","0.0439","","","0.1031","0.1137","","","","","","1.032","","","","has coordinates","232305","2020-10-21","18:00:00",""
"4347400","10.9964","0.0003","12.6256","0.0003","28.4208","0.001","90","","90","","90","","3945.8","0.2","150","","150","","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C38 H37 B I2 N2 O3 P2 -","- C38 H37 B I2 N2 O3 P2 -","- C152 H148 B4 I8 N8 O12 P8 -","4","1","","Bertocco, Philipp; Bolli, Christoph; Correia Bicho, Bruno A.; Jenne, Carsten; Erken, Berrin; Laitinen, Risto S.; Seeger, Helene A.; Takaluoma, Teemu T.","Theoretical and Synthetic Study on the Existence, Structures, and Bonding of the Halide-Bridged [B2X7](-) (X = F, Cl, Br, I) Anions.","Inorganic chemistry","2016","55","7","3599","3604","10.1021/acs.inorgchem.6b00118","","","0.71073","MoKα","","0.0612","0.0411","","","0.0679","0.0745","","","","","","1.002","","","","has coordinates","232307","2020-10-21","18:00:00",""
"4347401","9.4626","0.0004","10.5499","0.0004","16.9579","0.0004","90.314","0.003","93.38","0.003","94.617","0.003","1684.38","0.1","150","0.1","150","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C37 H33 Cl4 N P2 -","- C37 H33 Cl4 N P2 -","- C74 H66 Cl8 N2 P4 -","2","1","","Bertocco, Philipp; Bolli, Christoph; Correia Bicho, Bruno A.; Jenne, Carsten; Erken, Berrin; Laitinen, Risto S.; Seeger, Helene A.; Takaluoma, Teemu T.","Theoretical and Synthetic Study on the Existence, Structures, and Bonding of the Halide-Bridged [B2X7](-) (X = F, Cl, Br, I) Anions.","Inorganic chemistry","2016","55","7","3599","3604","10.1021/acs.inorgchem.6b00118","","","0.71073","MoKα","","0.0479","0.0375","","","0.084","0.0896","","","","","","1.025","","","","has coordinates","232307","2020-10-21","18:00:00",""
"4347402","15.0162","0.0008","27.5493","0.0008","16.1105","0.0006","90","","112.707","0.005","90","","6148.1","0.5","109.8","0.5","109.8","0.5","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C36 H30 B F4 N P2 -","- C36 H30 B F4 N P2 -","- C288 H240 B8 F32 N8 P16 -","8","2","","Bertocco, Philipp; Bolli, Christoph; Correia Bicho, Bruno A.; Jenne, Carsten; Erken, Berrin; Laitinen, Risto S.; Seeger, Helene A.; Takaluoma, Teemu T.","Theoretical and Synthetic Study on the Existence, Structures, and Bonding of the Halide-Bridged [B2X7](-) (X = F, Cl, Br, I) Anions.","Inorganic chemistry","2016","55","7","3599","3604","10.1021/acs.inorgchem.6b00118","","","0.71073","MoKα","","0.0606","0.0423","","","0.0983","0.1102","","","","","","1.051","","","","has coordinates","232307","2020-10-21","18:00:00",""
"4347403","13.2231","0.0005","15.0666","0.0005","18.1737","0.0007","90","","110.029","0.005","90","","3401.7","0.2","150","","150","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C36 H30 B Cl4 N P2 -","- C36 H30 B Cl4 N P2 -","- C144 H120 B4 Cl16 N4 P8 -","4","1","","Bertocco, Philipp; Bolli, Christoph; Correia Bicho, Bruno A.; Jenne, Carsten; Erken, Berrin; Laitinen, Risto S.; Seeger, Helene A.; Takaluoma, Teemu T.","Theoretical and Synthetic Study on the Existence, Structures, and Bonding of the Halide-Bridged [B2X7](-) (X = F, Cl, Br, I) Anions.","Inorganic chemistry","2016","55","7","3599","3604","10.1021/acs.inorgchem.6b00118","","","0.71073","MoKα","","0.0535","0.0379","","","0.0832","0.0917","","","","","","1.038","","","","has coordinates","232307","2020-10-21","18:00:00",""
"4347404","11.2456","0.0002","7.2679","0.0001","14.5517","0.0003","90","","109.493","0.001","90","","1121.17","0.03","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C24 H26 B N3 Si -","- C24 H26 B N3 Si -","- C48 H52 B2 N6 Si2 -","2","1","","Jeong, So Yi; Lalancette, Roger A.; Lin, Huina; Lupinska, Patrycja; Shipman, Patrick O.; John, Alexandra; Sheridan, John B.; Jäkle, Frieder","""Third-Generation""-Type Functional Tris(2-pyridyl)borate Ligands and Their Transition-Metal Complexes.","Inorganic chemistry","2016","55","7","3605","3615","10.1021/acs.inorgchem.6b00124","","","1.54178","CuKα","","0.0415","0.0368","","","0.0811","0.0834","","","","","","1.054","","","","has coordinates","232308","2020-10-21","18:00:00",""
"4347405","11.4562","0.0003","9.2595","0.0002","17.809","0.0004","90","","97.476","0.001","90","","1873.1","0.08","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C21 H17 B I N3 -","- C21 H17 B I N3 -","- C84 H68 B4 I4 N12 -","4","1","","Jeong, So Yi; Lalancette, Roger A.; Lin, Huina; Lupinska, Patrycja; Shipman, Patrick O.; John, Alexandra; Sheridan, John B.; Jäkle, Frieder","""Third-Generation""-Type Functional Tris(2-pyridyl)borate Ligands and Their Transition-Metal Complexes.","Inorganic chemistry","2016","55","7","3605","3615","10.1021/acs.inorgchem.6b00124","","","1.54178","CuKα","","0.0376","0.0368","","","0.0978","0.0987","","","","","","1.085","","","","has coordinates","232308","2020-10-21","18:00:00",""
"4347406","9.2521","0.0006","19.3245","0.0013","24.5948","0.0017","100.575","0.004","100.809","0.004","103.32","0.004","4083.2","0.5","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C58 H70 B2 Mg N6 Si2 -","- C58 H70 B2 Mg N6 Si2 -","- C174 H210 B6 Mg3 N18 Si6 -","3","1.5","","Jeong, So Yi; Lalancette, Roger A.; Lin, Huina; Lupinska, Patrycja; Shipman, Patrick O.; John, Alexandra; Sheridan, John B.; Jäkle, Frieder","""Third-Generation""-Type Functional Tris(2-pyridyl)borate Ligands and Their Transition-Metal Complexes.","Inorganic chemistry","2016","55","7","3605","3615","10.1021/acs.inorgchem.6b00124","","","1.54178","CuKα","","0.085","0.0671","","","0.1624","0.1726","","","","","","1.045","","","","has coordinates","265253","2021-05-16","09:36:36",""
"4347407","18.0412","0.0007","10.1944","0.0004","26.97","0.001","90","","106.257","0.002","90","","4762","0.3","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C55 H58 B2 Fe N6 Si2 -","- C55 H58 B2 Fe N6 Si2 -","- C220 H232 B8 Fe4 N24 Si8 -","4","0.5","","Jeong, So Yi; Lalancette, Roger A.; Lin, Huina; Lupinska, Patrycja; Shipman, Patrick O.; John, Alexandra; Sheridan, John B.; Jäkle, Frieder","""Third-Generation""-Type Functional Tris(2-pyridyl)borate Ligands and Their Transition-Metal Complexes.","Inorganic chemistry","2016","55","7","3605","3615","10.1021/acs.inorgchem.6b00124","","","1.54178","CuKα","","0.0765","0.0629","","","0.1627","0.173","","","","","","1.055","","","","has coordinates","232308","2020-10-21","18:00:00",""
"4347408","18.1391","0.0004","10.1834","0.0002","27.0532","0.0008","90","","106.347","0.001","90","","4795.2","0.2","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C55 H58 B2 N6 Ru Si2 -","- C55 H58 B2 N6 Ru Si2 -","- C220 H232 B8 N24 Ru4 Si8 -","4","0.5","","Jeong, So Yi; Lalancette, Roger A.; Lin, Huina; Lupinska, Patrycja; Shipman, Patrick O.; John, Alexandra; Sheridan, John B.; Jäkle, Frieder","""Third-Generation""-Type Functional Tris(2-pyridyl)borate Ligands and Their Transition-Metal Complexes.","Inorganic chemistry","2016","55","7","3605","3615","10.1021/acs.inorgchem.6b00124","","","1.54178","CuKα","","0.0374","0.0352","","","0.0944","0.0963","","","","","","1.075","","","","has coordinates","232308","2020-10-21","18:00:00",""
"4347409","12.8153","0.0002","13.2471","0.0002","13.3666","0.0003","90.789","0.001","103.134","0.001","109.156","0.001","2077.82","0.07","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C49 H40 B2 Fe I2 N6 -","- C49 H40 B2 Fe I2 N6 -","- C98 H80 B4 Fe2 I4 N12 -","2","1","","Jeong, So Yi; Lalancette, Roger A.; Lin, Huina; Lupinska, Patrycja; Shipman, Patrick O.; John, Alexandra; Sheridan, John B.; Jäkle, Frieder","""Third-Generation""-Type Functional Tris(2-pyridyl)borate Ligands and Their Transition-Metal Complexes.","Inorganic chemistry","2016","55","7","3605","3615","10.1021/acs.inorgchem.6b00124","","","1.54178","CuKα","","0.0419","0.0322","","","0.0701","0.0737","","","","","","1.015","","","","has coordinates","232308","2020-10-21","18:00:00",""
"4347410","12.845","0.0005","13.2757","0.0004","13.4453","0.0005","90.863","0.002","103.353","0.002","109.278","0.002","2095.28","0.13","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C49 H40 B2 I2 N6 Ru -","- C49 H40 B2 I2 N6 Ru -","- C98 H80 B4 I4 N12 Ru2 -","2","1","","Jeong, So Yi; Lalancette, Roger A.; Lin, Huina; Lupinska, Patrycja; Shipman, Patrick O.; John, Alexandra; Sheridan, John B.; Jäkle, Frieder","""Third-Generation""-Type Functional Tris(2-pyridyl)borate Ligands and Their Transition-Metal Complexes.","Inorganic chemistry","2016","55","7","3605","3615","10.1021/acs.inorgchem.6b00124","","","1.54178","CuKα","","0.0695","0.0541","","","0.1324","0.1443","","","","","","1.007","","","","has coordinates","232308","2020-10-21","18:00:00",""
"4347411","12.1544","0.0003","12.3906","0.0003","15.7667","0.0004","96.766","0.002","94.743","0.002","94.685","0.002","2339.81","0.1","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C105 H96 B6 Br2 N12 O4 Ru2 -","- C105 H96 B6 Br2 N12 O4 Ru2 -","- C105 H96 B6 Br2 N12 O4 Ru2 -","1","0.5","","Jeong, So Yi; Lalancette, Roger A.; Lin, Huina; Lupinska, Patrycja; Shipman, Patrick O.; John, Alexandra; Sheridan, John B.; Jäkle, Frieder","""Third-Generation""-Type Functional Tris(2-pyridyl)borate Ligands and Their Transition-Metal Complexes.","Inorganic chemistry","2016","55","7","3605","3615","10.1021/acs.inorgchem.6b00124","","","1.54178","CuKα","","0.0668","0.054","","","0.1452","0.1538","","","","","","1.044","","","","has coordinates","232308","2020-10-21","18:00:00",""
"4347412","8.5544","0.0005","15.286","0.0008","28.4211","0.0015","90","","91.532","0.002","90","","3715.1","0.4","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C35.29 H40.71 Cl N3.29 Na O12.8 S -","- C35.287 H40.713 Cl N3.287 Na O12.803 S -","- C141.148 H162.852 Cl4 N13.148 Na4 O51.212 S4 -","4","1","","Karbarz, Marcin; Romański, Jan","Dual Sensing by Simple Heteroditopic Salt Receptors Containing an Anthraquinone Unit.","Inorganic chemistry","2016","55","7","3616","3623","10.1021/acs.inorgchem.6b00132","","","0.71073","MoKα","","0.0649","0.0403","","","0.0842","0.0937","","","","","","1.052","","","","has coordinates,has disorder","232309","2020-10-21","18:00:00",""
"4347413","17.0192","0.0012","27.796","0.0017","9.3238","0.0004","90","","90","","90","","4410.8","0.5","100","2","100","2","","","","","","","","5","C m c m","-C 2c 2","63","","","","- C33 H14 N3.41 O6 Zn2 -","- C33 H14 N3.408 O6 Zn2 -","- C132 H56 N13.632 O24 Zn8 -","4","0.25","","Fu, Hong-Ru; Zhang, Jian","Selective Sorption of Light Hydrocarbons on a Family of Metal-Organic Frameworks with Different Imidazolate Pillars.","Inorganic chemistry","2016","55","8","3928","3932","10.1021/acs.inorgchem.6b00136","","","0.71073","MoKα","","0.111","0.0977","","","0.2907","0.3052","","","","","","1.075","","","","has coordinates","232310","2020-10-21","18:00:00",""
"4347414","16.6016","0.0008","28.621","0.0012","9.2204","0.0004","90","","98.18","0.004","90","","4336.5","0.3","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C16 H8 N2 O3 Zn -","- C16 H8 N2 O3 Zn -","- C128 H64 N16 O24 Zn8 -","8","1","","Fu, Hong-Ru; Zhang, Jian","Selective Sorption of Light Hydrocarbons on a Family of Metal-Organic Frameworks with Different Imidazolate Pillars.","Inorganic chemistry","2016","55","8","3928","3932","10.1021/acs.inorgchem.6b00136","","","1.54178","CuKα","","0.0859","0.0749","","","0.2288","0.245","","","","","","1.097","","","","has coordinates","232310","2020-10-21","18:00:00",""
"4347415","16.3307","0.0005","29.0681","0.0008","9.2803","0.0002","90","","96.324","0.003","90","","4378.6","0.2","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C18 H6 N2 O3 Zn -","- C18 H6 N2 O3 Zn -","- C144 H48 N16 O24 Zn8 -","8","1","","Fu, Hong-Ru; Zhang, Jian","Selective Sorption of Light Hydrocarbons on a Family of Metal-Organic Frameworks with Different Imidazolate Pillars.","Inorganic chemistry","2016","55","8","3928","3932","10.1021/acs.inorgchem.6b00136","","","1.54178","CuKα","","0.0714","0.0651","","","0.209","0.2186","","","","","","1.069","","","","has coordinates","232310","2020-10-21","18:00:00",""
"4347416","17.1126","0.0015","27.766","0.003","9.3275","0.0006","90","","92.046","0.007","90","","4429.1","0.7","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C36 H19 N3 O6 Zn2 -","- C36 H19 N2.99 O6 Zn2 -","- C144 H76 N11.96 O24 Zn8 -","4","0.5","","Fu, Hong-Ru; Zhang, Jian","Selective Sorption of Light Hydrocarbons on a Family of Metal-Organic Frameworks with Different Imidazolate Pillars.","Inorganic chemistry","2016","55","8","3928","3932","10.1021/acs.inorgchem.6b00136","","","1.54178","CuKα","","0.1233","0.1102","","","0.3043","0.3208","","","","","","1.038","","","","has coordinates","232310","2020-10-21","18:00:00",""
"4347417","11.3443","0.0015","13.432","0.0017","14.3422","0.0018","88.823","0.009","81.617","0.009","83.076","0.009","2146.3","0.5","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C62 H60 Cu3 F36 N8 O16 -","- C62 H60 Cu3 F36 N8 O16 -","- C62 H60 Cu3 F36 N8 O16 -","1","0.5","","Ovcharenko, Victor; Fokin, Sergey; Chubakova, Elvina; Romanenko, Galina; Bogomyakov, Artem; Dobrokhotova, Zhanna; Lukzen, Nikita; Morozov, Vitaly; Petrova, Marina; Petrova, Maria; Zueva, Ekaterina; Rozentsveig, Igor; Rudyakova, Elena; Levkovskaya, Galina; Sagdeev, Renad","A Copper-Nitroxide Adduct Exhibiting Separate Single Crystal-to-Single Crystal Polymerization-Depolymerization and Spin Crossover Transitions.","Inorganic chemistry","2016","55","12","5853","5861","10.1021/acs.inorgchem.6b00140","","","0.71073","MoKα","","0.109","0.0493","","","0.1052","0.1279","","","","","","1.038","","","","has coordinates,has disorder","232311","2020-10-21","18:00:00",""
"4347418","13.748","0.002","17.305","0.003","17.808","0.003","108.754","0.011","91.485","0.011","102.51","0.01","3895.5","1.1","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C28.5 H29.5 Cu1.25 F15 N4 O7 -","- C28.5 H29.5 Cu1.25 F15 N4 O7 -","- C114 H118 Cu5 F60 N16 O28 -","4","2","","Ovcharenko, Victor; Fokin, Sergey; Chubakova, Elvina; Romanenko, Galina; Bogomyakov, Artem; Dobrokhotova, Zhanna; Lukzen, Nikita; Morozov, Vitaly; Petrova, Marina; Petrova, Maria; Zueva, Ekaterina; Rozentsveig, Igor; Rudyakova, Elena; Levkovskaya, Galina; Sagdeev, Renad","A Copper-Nitroxide Adduct Exhibiting Separate Single Crystal-to-Single Crystal Polymerization-Depolymerization and Spin Crossover Transitions.","Inorganic chemistry","2016","55","12","5853","5861","10.1021/acs.inorgchem.6b00140","","","0.71073","MoKα","","0.1943","0.0396","","","0.0753","0.1005","","","","","","0.694","","","","has coordinates,has disorder","232311","2020-10-21","18:00:00",""
"4347419","13.6774","0.0004","17.0926","0.0005","17.6761","0.0005","108.581","0.002","91.616","0.002","102.344","0.002","3805.6","0.2","240","2","240","2","","","","","","","","6","P -1","-P 1","2","","","","- C57 H59 Cu2.5 F30 N8 O14 -","- C57 H59 Cu2.5 F30 N8 O14 -","- C114 H118 Cu5 F60 N16 O28 -","2","1","","Ovcharenko, Victor; Fokin, Sergey; Chubakova, Elvina; Romanenko, Galina; Bogomyakov, Artem; Dobrokhotova, Zhanna; Lukzen, Nikita; Morozov, Vitaly; Petrova, Marina; Petrova, Maria; Zueva, Ekaterina; Rozentsveig, Igor; Rudyakova, Elena; Levkovskaya, Galina; Sagdeev, Renad","A Copper-Nitroxide Adduct Exhibiting Separate Single Crystal-to-Single Crystal Polymerization-Depolymerization and Spin Crossover Transitions.","Inorganic chemistry","2016","55","12","5853","5861","10.1021/acs.inorgchem.6b00140","","","0.71073","MoKα","","0.1072","0.0431","","","0.0976","0.1134","","","","","","0.859","","","","has coordinates,has disorder","232311","2020-10-21","18:00:00",""
"4347420","13.6505","0.0003","16.8063","0.0004","17.5044","0.0004","108.534","0.001","91.684","0.001","101.846","0.002","3706.97","0.15","175","2","175","2","","","","","","","","6","P -1","-P 1","2","","","","- C57 H59 Cu2.5 F30 N8 O14 -","- C57 H59 Cu2.5 F30 N8 O14 -","- C114 H118 Cu5 F60 N16 O28 -","2","1","","Ovcharenko, Victor; Fokin, Sergey; Chubakova, Elvina; Romanenko, Galina; Bogomyakov, Artem; Dobrokhotova, Zhanna; Lukzen, Nikita; Morozov, Vitaly; Petrova, Marina; Petrova, Maria; Zueva, Ekaterina; Rozentsveig, Igor; Rudyakova, Elena; Levkovskaya, Galina; Sagdeev, Renad","A Copper-Nitroxide Adduct Exhibiting Separate Single Crystal-to-Single Crystal Polymerization-Depolymerization and Spin Crossover Transitions.","Inorganic chemistry","2016","55","12","5853","5861","10.1021/acs.inorgchem.6b00140","","","0.71073","MoKα","","0.1148","0.0472","","","0.1","0.1208","","","","","","0.863","","","","has coordinates,has disorder","232311","2020-10-21","18:00:00",""
"4347421","13.6616","0.0004","16.6422","0.0004","17.4212","0.0004","108.568","0.001","91.743","0.002","101.581","0.002","3659.22","0.17","140","2","140","2","","","","","","","","6","P -1","-P 1","2","","","","- C28.5 H29.5 Cu1.25 F15 N4 O7 -","- C28.5 H29.5 Cu1.25 F15 N4 O7 -","- C114 H118 Cu5 F60 N16 O28 -","4","2","","Ovcharenko, Victor; Fokin, Sergey; Chubakova, Elvina; Romanenko, Galina; Bogomyakov, Artem; Dobrokhotova, Zhanna; Lukzen, Nikita; Morozov, Vitaly; Petrova, Marina; Petrova, Maria; Zueva, Ekaterina; Rozentsveig, Igor; Rudyakova, Elena; Levkovskaya, Galina; Sagdeev, Renad","A Copper-Nitroxide Adduct Exhibiting Separate Single Crystal-to-Single Crystal Polymerization-Depolymerization and Spin Crossover Transitions.","Inorganic chemistry","2016","55","12","5853","5861","10.1021/acs.inorgchem.6b00140","","","0.71073","MoKα","","0.1093","0.0511","","","0.1145","0.1384","","","","","","0.937","","","","has coordinates,has disorder","232311","2020-10-21","18:00:00",""
"4347422","13.6618","0.0003","16.5333","0.0003","17.3793","0.0003","108.561","0.001","91.748","0.001","101.547","0.001","3627.23","0.12","140","2","140","2","","","","","","","","6","P -1","-P 1","2","","","","- C28.5 H29.5 Cu1.25 F15 N4 O7 -","- C28.5 H29.5 Cu1.25 F15 N4 O7 -","- C114 H118 Cu5 F60 N16 O28 -","4","2","","Ovcharenko, Victor; Fokin, Sergey; Chubakova, Elvina; Romanenko, Galina; Bogomyakov, Artem; Dobrokhotova, Zhanna; Lukzen, Nikita; Morozov, Vitaly; Petrova, Marina; Petrova, Maria; Zueva, Ekaterina; Rozentsveig, Igor; Rudyakova, Elena; Levkovskaya, Galina; Sagdeev, Renad","A Copper-Nitroxide Adduct Exhibiting Separate Single Crystal-to-Single Crystal Polymerization-Depolymerization and Spin Crossover Transitions.","Inorganic chemistry","2016","55","12","5853","5861","10.1021/acs.inorgchem.6b00140","","","0.71073","MoKα","","0.0751","0.0464","","","0.1097","0.1232","","","","","","0.945","","","","has coordinates,has disorder","232311","2020-10-21","18:00:00",""
"4347423","10.836","0.003","11.377","0.003","14.102","0.004","110.933","0.016","104.014","0.018","93.324","0.019","1555.3","0.8","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C23 H23 Cu F12 N4 O6 -","- C23 H23 Cu F12 N4 O6 -","- C46 H46 Cu2 F24 N8 O12 -","2","1","","Ovcharenko, Victor; Fokin, Sergey; Chubakova, Elvina; Romanenko, Galina; Bogomyakov, Artem; Dobrokhotova, Zhanna; Lukzen, Nikita; Morozov, Vitaly; Petrova, Marina; Petrova, Maria; Zueva, Ekaterina; Rozentsveig, Igor; Rudyakova, Elena; Levkovskaya, Galina; Sagdeev, Renad","A Copper-Nitroxide Adduct Exhibiting Separate Single Crystal-to-Single Crystal Polymerization-Depolymerization and Spin Crossover Transitions.","Inorganic chemistry","2016","55","12","5853","5861","10.1021/acs.inorgchem.6b00140","","","0.71073","MoKα","","0.1652","0.0492","","","0.0905","0.1122","","","","","","0.853","","","","has coordinates,has disorder","232311","2020-10-21","18:00:00",""
"4347424","14.7225","0.0006","14.7927","0.0007","15.5127","0.0007","82.89","0.003","65.077","0.002","81.596","0.003","3023.6","0.2","240","2","240","2","","","","","","","","6","P -1","-P 1","2","","","","- C46 H46 Cu2 F24 N8 O12 -","- C46 H46 Cu2 F24 N8 O12 -","- C92 H92 Cu4 F48 N16 O24 -","2","1","","Ovcharenko, Victor; Fokin, Sergey; Chubakova, Elvina; Romanenko, Galina; Bogomyakov, Artem; Dobrokhotova, Zhanna; Lukzen, Nikita; Morozov, Vitaly; Petrova, Marina; Petrova, Maria; Zueva, Ekaterina; Rozentsveig, Igor; Rudyakova, Elena; Levkovskaya, Galina; Sagdeev, Renad","A Copper-Nitroxide Adduct Exhibiting Separate Single Crystal-to-Single Crystal Polymerization-Depolymerization and Spin Crossover Transitions.","Inorganic chemistry","2016","55","12","5853","5861","10.1021/acs.inorgchem.6b00140","","","0.71073","MoKα","","0.1465","0.049","","","0.1045","0.126","","","","","","0.832","","","","has coordinates,has disorder","232311","2020-10-21","18:00:00",""
"4347425","14.6924","0.0004","14.6676","0.0004","15.4184","0.0005","82.82","0.002","65.148","0.002","81.281","0.002","2973.2","0.16","170","2","170","2","","","","","","","","6","P -1","-P 1","2","","","","- C46 H46 Cu2 F24 N8 O12 -","- C46 H46 Cu2 F24 N8 O12 -","- C92 H92 Cu4 F48 N16 O24 -","2","1","","Ovcharenko, Victor; Fokin, Sergey; Chubakova, Elvina; Romanenko, Galina; Bogomyakov, Artem; Dobrokhotova, Zhanna; Lukzen, Nikita; Morozov, Vitaly; Petrova, Marina; Petrova, Maria; Zueva, Ekaterina; Rozentsveig, Igor; Rudyakova, Elena; Levkovskaya, Galina; Sagdeev, Renad","A Copper-Nitroxide Adduct Exhibiting Separate Single Crystal-to-Single Crystal Polymerization-Depolymerization and Spin Crossover Transitions.","Inorganic chemistry","2016","55","12","5853","5861","10.1021/acs.inorgchem.6b00140","","","0.71073","MoKα","","0.1054","0.0426","","","0.0921","0.1117","","","","","","0.815","","","","has coordinates,has disorder","232311","2020-10-21","18:00:00",""
"4347426","14.6416","0.0006","14.658","0.0005","15.3846","0.0005","65.251","0.002","82.655","0.002","81.337","0.002","2956.59","0.19","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C46 H46 Cu2 F24 N8 O12 -","- C46 H46 Cu2 F24 N8 O12 -","- C92 H92 Cu4 F48 N16 O24 -","2","1","","Ovcharenko, Victor; Fokin, Sergey; Chubakova, Elvina; Romanenko, Galina; Bogomyakov, Artem; Dobrokhotova, Zhanna; Lukzen, Nikita; Morozov, Vitaly; Petrova, Marina; Petrova, Maria; Zueva, Ekaterina; Rozentsveig, Igor; Rudyakova, Elena; Levkovskaya, Galina; Sagdeev, Renad","A Copper-Nitroxide Adduct Exhibiting Separate Single Crystal-to-Single Crystal Polymerization-Depolymerization and Spin Crossover Transitions.","Inorganic chemistry","2016","55","12","5853","5861","10.1021/acs.inorgchem.6b00140","","","0.71073","MoKα","","0.1113","0.049","","","0.098","0.1108","","","","","","0.916","","","","has coordinates","232311","2020-10-21","18:00:00",""
"4347427","14.4659","0.0004","14.7776","0.0005","15.2281","0.0005","81.525","0.002","66.418","0.002","82.14","0.002","2940.01","0.17","140","2","140","2","","","","","","","","6","P -1","-P 1","2","","","","- C46 H46 Cu2 F24 N8 O12 -","- C46 H46 Cu2 F24 N8 O12 -","- C92 H92 Cu4 F48 N16 O24 -","2","1","","Ovcharenko, Victor; Fokin, Sergey; Chubakova, Elvina; Romanenko, Galina; Bogomyakov, Artem; Dobrokhotova, Zhanna; Lukzen, Nikita; Morozov, Vitaly; Petrova, Marina; Petrova, Maria; Zueva, Ekaterina; Rozentsveig, Igor; Rudyakova, Elena; Levkovskaya, Galina; Sagdeev, Renad","A Copper-Nitroxide Adduct Exhibiting Separate Single Crystal-to-Single Crystal Polymerization-Depolymerization and Spin Crossover Transitions.","Inorganic chemistry","2016","55","12","5853","5861","10.1021/acs.inorgchem.6b00140","","","0.71073","MoKα","","0.1132","0.0465","","","0.0979","0.1213","","","","","","0.859","","","","has coordinates","232311","2020-10-21","18:00:00",""
"4347428","14.4974","0.0005","14.7449","0.0004","15.2691","0.0005","81.632","0.002","66.142","0.002","81.905","0.002","2941.14","0.17","125","2","125","2","","","","","","","","6","P -1","-P 1","2","","","","- C46 H46 Cu2 F24 N8 O12 -","- C46 H46 Cu2 F24 N8 O12 -","- C92 H92 Cu4 F48 N16 O24 -","2","1","","Ovcharenko, Victor; Fokin, Sergey; Chubakova, Elvina; Romanenko, Galina; Bogomyakov, Artem; Dobrokhotova, Zhanna; Lukzen, Nikita; Morozov, Vitaly; Petrova, Marina; Petrova, Maria; Zueva, Ekaterina; Rozentsveig, Igor; Rudyakova, Elena; Levkovskaya, Galina; Sagdeev, Renad","A Copper-Nitroxide Adduct Exhibiting Separate Single Crystal-to-Single Crystal Polymerization-Depolymerization and Spin Crossover Transitions.","Inorganic chemistry","2016","55","12","5853","5861","10.1021/acs.inorgchem.6b00140","","","0.71073","MoKα","","0.1398","0.0444","","","0.0801","0.1001","","","","","","0.799","","","","has coordinates","232311","2020-10-21","18:00:00",""
"4347429","14.4262","0.0006","14.698","0.0007","15.1688","0.0007","81.36","0.003","66.554","0.002","82.081","0.003","2906.5","0.2","85","2","85","2","","","","","","","","6","P -1","-P 1","2","","","","- C46 H46 Cu2 F24 N8 O12 -","- C46 H46 Cu2 F24 N8 O12 -","- C92 H92 Cu4 F48 N16 O24 -","2","1","","Ovcharenko, Victor; Fokin, Sergey; Chubakova, Elvina; Romanenko, Galina; Bogomyakov, Artem; Dobrokhotova, Zhanna; Lukzen, Nikita; Morozov, Vitaly; Petrova, Marina; Petrova, Maria; Zueva, Ekaterina; Rozentsveig, Igor; Rudyakova, Elena; Levkovskaya, Galina; Sagdeev, Renad","A Copper-Nitroxide Adduct Exhibiting Separate Single Crystal-to-Single Crystal Polymerization-Depolymerization and Spin Crossover Transitions.","Inorganic chemistry","2016","55","12","5853","5861","10.1021/acs.inorgchem.6b00140","","","0.71073","MoKα","","0.1039","0.0459","","","0.0936","0.1102","","","","","","0.903","","","","has coordinates","232311","2020-10-21","18:00:00",""
"4347430","18.557","0.007","18.557","0.007","24.189","0.01","90","","90","","120","","7214","5","100","2","100","2","","","","","","","","6","P 63/m m c","-P 6c 2c","194","","","","- C22 H10 F N O10 Zn2 -","- C22 H10 F N O10 Zn2 -","- C132 H60 F6 N6 O60 Zn12 -","6","0.25","","Pal, Tapan K.; De, Dinesh; Senthilkumar, S.; Neogi, Subhadip; Bharadwaj, Parimal K.","A Partially Fluorinated, Water-Stable Cu(II)-MOF Derived via Transmetalation: Significant Gas Adsorption with High CO2 Selectivity and Catalysis of Biginelli Reactions.","Inorganic chemistry","2016","55","16","7835","7842","10.1021/acs.inorgchem.6b00154","","","0.71073","MoKα","","0.0872","0.0595","","","0.1953","0.2095","","","","","","1.074","","","","has coordinates","232312","2020-10-21","18:00:00",""
"4347431","18.4347","0.0006","18.4347","0.0006","23.832","0.001","90","","90","","120","","7014","0.4","100","2","100","2","","","","","","","","6","P 63/m m c","-P 6c 2c","194","","","","- C22 H10 Cu2 F N O10 -","- C22 H10 Cu2 F N O10 -","- C132 H60 Cu12 F6 N6 O60 -","6","0.25","","Pal, Tapan K.; De, Dinesh; Senthilkumar, S.; Neogi, Subhadip; Bharadwaj, Parimal K.","A Partially Fluorinated, Water-Stable Cu(II)-MOF Derived via Transmetalation: Significant Gas Adsorption with High CO2 Selectivity and Catalysis of Biginelli Reactions.","Inorganic chemistry","2016","55","16","7835","7842","10.1021/acs.inorgchem.6b00154","","","0.71073","MoKα","","0.109","0.0677","","","0.2259","0.2393","","","","","","1.04","","","","has coordinates","232312","2020-10-21","18:00:00",""
"4347432","16.645","0.007","18.268","0.008","23.747","0.01","89.543","0.007","74.209","0.007","76.897","0.007","6756","5","293","2","293","2","","","","","","","","8","P -1","-P 1","2","","","","- C40 H54 Mn Mo18 N40 O84 P6 Sr -","- C40 H54 Mn Mo18 N40 O84 P6 Sr -","- C80 H108 Mn2 Mo36 N80 O168 P12 Sr2 -","2","1","","Chen, Zhao-Yi; Lü, Jing-Hua; Yu, Kai; Zhang, He; Wang, Lu; Wang, Chun-Mei; Zhou, Bai-Bin","Nonclassical Phosphomolybdates with Different Degrees of Reduction: Syntheses and Structural and Photo/Electrocatalytic Properties.","Inorganic chemistry","2016","55","17","8309","8320","10.1021/acs.inorgchem.6b00158","","","0.71073","MoKα","","0.095","0.0796","","","0.1031","0.1194","","","","","","1.055","","","","has coordinates","270074","2021-10-24","17:53:43",""
"4347433","27.6058","0.0011","26.5475","0.0011","17.56","0.0007","90","","90.302","0.001","90","","12868.9","0.9","293","2","293","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C16 H64 Mn2 Mo18 N16 O97 P6 Sr -","- C16 H64 Mn2 Mo18 N16 O97 P6 Sr -","- C64 H256 Mn8 Mo72 N64 O388 P24 Sr4 -","4","0.5","","Chen, Zhao-Yi; Lü, Jing-Hua; Yu, Kai; Zhang, He; Wang, Lu; Wang, Chun-Mei; Zhou, Bai-Bin","Nonclassical Phosphomolybdates with Different Degrees of Reduction: Syntheses and Structural and Photo/Electrocatalytic Properties.","Inorganic chemistry","2016","55","17","8309","8320","10.1021/acs.inorgchem.6b00158","","","0.71073","MoKα","","0.0908","0.0819","","","0.1249","0.1443","","","","","","1.038","","","","has coordinates","232314","2020-10-21","18:00:00",""
"4347434","16.8296","0.0009","34.5086","0.0019","18.236","0.001","90","","90.696","0.001","90","","10590.1","1","293","2","293","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C36 H46 Fe Mo18 N20 O82 P6 Sr -","- C36 H46 Fe Mo18 N20 O82 P6 Sr -","- C144 H184 Fe4 Mo72 N80 O328 P24 Sr4 -","4","1","","Chen, Zhao-Yi; Lü, Jing-Hua; Yu, Kai; Zhang, He; Wang, Lu; Wang, Chun-Mei; Zhou, Bai-Bin","Nonclassical Phosphomolybdates with Different Degrees of Reduction: Syntheses and Structural and Photo/Electrocatalytic Properties.","Inorganic chemistry","2016","55","17","8309","8320","10.1021/acs.inorgchem.6b00158","","","0.71073","MoKα","","0.0933","0.078","","","0.1105","0.1478","","","","","","1.106","","","","has coordinates","232314","2020-10-21","18:00:00",""
"4347435","18.271","0.006","14.132","0.005","40.47","0.013","90","","95.797","0.007","90","","10396","6","293","2","293","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C48 H94 Cd4 Mo36 N48 O171 P12 Sr2 -","- C48 H94 Cd4 Mo36 N48 O171 P12 Sr2 -","- C96 H188 Cd8 Mo72 N96 O342 P24 Sr4 -","2","0.5","","Chen, Zhao-Yi; Lü, Jing-Hua; Yu, Kai; Zhang, He; Wang, Lu; Wang, Chun-Mei; Zhou, Bai-Bin","Nonclassical Phosphomolybdates with Different Degrees of Reduction: Syntheses and Structural and Photo/Electrocatalytic Properties.","Inorganic chemistry","2016","55","17","8309","8320","10.1021/acs.inorgchem.6b00158","","","0.71073","MoKα","","0.0738","0.0659","","","0.1265","0.1421","","","","","","1.083","","","","has coordinates","232314","2020-10-21","18:00:00",""
"4347436","11.506","0.002","19.009","0.003","23.954","0.005","90","","98.401","0.002","90","","5182.9","1.6","100","","100","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C60 H48 Cu2 I2 P4 -","- C60 H48 Cu2 I2 P4 -","- C240 H192 Cu8 I8 P16 -","4","2","","Okano, Yuka; Ohara, Hiroki; Kobayashi, Atsushi; Yoshida, Masaki; Kato, Masako","Systematic Introduction of Aromatic Rings to Diphosphine Ligands for Emission Color Tuning of Dinuclear Copper(I) Iodide Complexes.","Inorganic chemistry","2016","55","11","5227","5236","10.1021/acs.inorgchem.6b00161","","","0.71075","MoKα","","0.0607","0.0472","","","0.0867","0.0966","","","","","","1.109","","","","has coordinates","232315","2020-10-21","18:00:00",""
"4347437","11.2578","0.0004","18.9921","0.0007","11.9431","0.0004","90","","97.833","0.002","90","","2529.72","0.16","100","","100","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C58 H46 Cu2 I2 N2 P4 -","- C58 H46 Cu2 I2 N2 P4 -","- C116 H92 Cu4 I4 N4 P8 -","2","1","","Okano, Yuka; Ohara, Hiroki; Kobayashi, Atsushi; Yoshida, Masaki; Kato, Masako","Systematic Introduction of Aromatic Rings to Diphosphine Ligands for Emission Color Tuning of Dinuclear Copper(I) Iodide Complexes.","Inorganic chemistry","2016","55","11","5227","5236","10.1021/acs.inorgchem.6b00161","","","0.71075","MoKα","","0.0318","0.0307","","","0.0776","0.0788","","","","","","1.05","","","","has coordinates","232315","2020-10-21","18:00:00",""
"4347438","11.3329","0.0011","19.5774","0.0019","22.879","0.002","90","","95.1735","0.0012","90","","5055.5","0.8","100","","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C56 H44 Cu2 I2 N4 P4 -","- C56 H44 Cu2 I2 N4 P4 -","- C224 H176 Cu8 I8 N16 P16 -","4","1","","Okano, Yuka; Ohara, Hiroki; Kobayashi, Atsushi; Yoshida, Masaki; Kato, Masako","Systematic Introduction of Aromatic Rings to Diphosphine Ligands for Emission Color Tuning of Dinuclear Copper(I) Iodide Complexes.","Inorganic chemistry","2016","55","11","5227","5236","10.1021/acs.inorgchem.6b00161","","","0.71075","MoKα","","0.0284","0.0263","","","0.0577","0.059","","","","","","1.051","","","","has coordinates","232315","2020-10-21","18:00:00",""
"4347439","11.2852","0.0013","23.666","0.003","11.4497","0.0013","90","","93.887","0.002","90","","3050.9","0.6","193","","193","","","","","","","","","7","P 1 21 1","P 2yb","4","","Fe2C44H64N16S2Cl4O20","","- C44 H64 Cl4 Fe2 N16 O20 S2 -","- C44 H64 Cl4 Fe2 N16 O20 S2 -","- C88 H128 Cl8 Fe4 N32 O40 S4 -","2","1","","Herold, Christian F.; Shylin, Sergii I.; Rentschler, Eva","Solvent-dependent SCO Behavior of Dinuclear Iron(II) Complexes with a 1,3,4-Thiadiazole Bridging Ligand.","Inorganic chemistry","2016","55","13","6414","6419","10.1021/acs.inorgchem.6b00163","","x-ray","0.71073","MoKα","","0.0468","0.039","","","0.0897","0.0933","","","","","","1.037","","","","has coordinates,has disorder","232316","2020-10-21","18:00:00",""
"4347440","11.2504","0.0007","23.3121","0.0017","11.3825","0.0006","90","","93.733","0.002","90","","2979","0.3","173.15","","173.15","","","","","","","","","8","P 1 21 1","P 2yb","4","","","","- C44 H64 B4 F16 Fe2 N16 O4 S2 -","- C44 H64 B4 F16 Fe2 N16 O4 S2 -","- C88 H128 B8 F32 Fe4 N32 O8 S4 -","2","1","","Herold, Christian F.; Shylin, Sergii I.; Rentschler, Eva","Solvent-dependent SCO Behavior of Dinuclear Iron(II) Complexes with a 1,3,4-Thiadiazole Bridging Ligand.","Inorganic chemistry","2016","55","13","6414","6419","10.1021/acs.inorgchem.6b00163","","x-ray","0.71073","MoKα","","0.0496","0.0369","","","0.0803","0.0844","","","","","","0.956","","","","has coordinates,has disorder","232317","2020-10-21","18:00:00",""
"4347441","20.4077","0.0004","10.9902","0.0002","15.501","0.0004","90","","124.565","0.002","90","","2862.95","0.13","173","2","173","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C14 H18 Fe N P S -","- C14 H18 Fe N P S -","- C112 H144 Fe8 N8 P8 S8 -","8","1","","Dey, Subhayan; Sun, Wei; Müller, Jens","[n]Ferrocenophanes (n = 2, 3) with Nitrogen and Phosphorus in Bridging Positions.","Inorganic chemistry","2016","55","7","3630","3639","10.1021/acs.inorgchem.6b00170","","","0.71073","MoKα","","0.0355","0.0273","","","0.1052","0.1279","","","","","","1.075","","","","has coordinates","232318","2020-10-21","18:00:00",""
"4347442","14.1096","0.0006","20.8624","0.0008","20.7312","0.0008","90","","103.628","0.004","90","","5930.6","0.4","150","2","150","2","","","","","","","","6","C 1 c 1","C -2yc","9","[K(222)][Mn(TPP)(CN)]","","","- C63 H64 K Mn N7 O6 -","- C63 H64 K Mn N7 O6 -","- C252 H256 K4 Mn4 N28 O24 -","4","1","","He, Mingrui; Li, Xiangjun; Liu, Yanhong; Li, Jianfeng","Axial Mn-CCN Bonds of Cyano Manganese(II) Porphyrin Complexes: Flexible and Weak?","Inorganic chemistry","2016","55","12","5871","5879","10.1021/acs.inorgchem.6b00173","","","0.71073","MoKα","","0.0501","0.0402","","","0.0768","0.0811","","","","","","1.05","","","","has coordinates","232319","2020-10-21","18:00:00",""
"4347443","13.2231","0.0006","24.3062","0.0012","24.7602","0.0013","90","","90","","90","","7958","0.7","100","2","100","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","[K(222)][Mn(TMP)(CN)]1.63(C6H5Cl)","","","- C84.77 H96.15 Cl1.63 K Mn N7 O6 -","- C84.774 H96.145 Cl1.629 K Mn N7 O6 -","- C339.096 H384.58 Cl6.516 K4 Mn4 N28 O24 -","4","1","","He, Mingrui; Li, Xiangjun; Liu, Yanhong; Li, Jianfeng","Axial Mn-CCN Bonds of Cyano Manganese(II) Porphyrin Complexes: Flexible and Weak?","Inorganic chemistry","2016","55","12","5871","5879","10.1021/acs.inorgchem.6b00173","","","0.71073","MoKα","","0.0544","0.0494","","","0.1449","0.1493","","","","","","1.109","","","","has coordinates","232320","2020-10-21","18:00:00",""
"4347444","13.2466","0.0008","25.3523","0.0014","17.903","0.001","90","","109.549","0.006","90","","5665.8","0.6","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","[K(222)][Mn(TPP)(CN)]","","","- C63 H64 K Mn N7 O6 -","- C63 H64 K Mn N7 O6 -","- C252 H256 K4 Mn4 N28 O24 -","4","1","","He, Mingrui; Li, Xiangjun; Liu, Yanhong; Li, Jianfeng","Axial Mn-CCN Bonds of Cyano Manganese(II) Porphyrin Complexes: Flexible and Weak?","Inorganic chemistry","2016","55","12","5871","5879","10.1021/acs.inorgchem.6b00173","","","0.71073","MoKα","","0.1407","0.0607","","","0.0781","0.1017","","","","","","0.894","","","","has coordinates","232321","2020-10-21","18:00:00",""
"4347445","11.7796","0.0003","14.8337","0.0004","20.0496","0.0006","81.69","0.002","74.862","0.002","86.134","0.002","3344.68","0.16","150","2","150","2","","","","","","","","7","P -1","-P 1","2","[K(222)][Mn(TTP)(CN)]PhCl","","","- C73 H77 Cl K Mn N7 O6 -","- C73 H77 Cl K Mn N7 O6 -","- C146 H154 Cl2 K2 Mn2 N14 O12 -","2","1","","He, Mingrui; Li, Xiangjun; Liu, Yanhong; Li, Jianfeng","Axial Mn-CCN Bonds of Cyano Manganese(II) Porphyrin Complexes: Flexible and Weak?","Inorganic chemistry","2016","55","12","5871","5879","10.1021/acs.inorgchem.6b00173","","","0.71073","MoKα","","0.0767","0.0592","","","0.1535","0.1667","","","","","","1.039","","","","has coordinates","232322","2020-10-21","18:00:00",""
"4347446","9.3538","0.0015","23.463","0.004","8.9193","0.0015","90","","98.061","0.004","90","","1938.2","0.6","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H29 N5 O -","- C19 H27 N5 O -","- C76 H108 N20 O4 -","4","1","","Ghosh, Tamal Kanti; Dutta, Ranjan; Ghosh, Pradyut","Unusual Recognition and Separation of Hydrated Metal Sulfates [M2(μ-SO4)2(H2O)n, M = Zn(II), Cd(II), Co(II), Mn(II)] by a Ditopic Receptor.","Inorganic chemistry","2016","55","7","3640","3652","10.1021/acs.inorgchem.6b00176","","","0.71073","MoKα","","0.0509","0.0412","","","0.1008","0.1079","","","","","","1.031","","","","has coordinates","232323","2020-10-21","18:00:00",""
"4347447","9.1081","0.0005","9.5838","0.0005","14.8352","0.0008","78.6128","0.0012","73.7441","0.0011","66.1009","0.0011","1131.38","0.11","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C38 H54 N10 O12 S2 Zn2 -","- C38 H54 N10 O12 S2 Zn2 -","- C38 H54 N10 O12 S2 Zn2 -","1","0.5","","Ghosh, Tamal Kanti; Dutta, Ranjan; Ghosh, Pradyut","Unusual Recognition and Separation of Hydrated Metal Sulfates [M2(μ-SO4)2(H2O)n, M = Zn(II), Cd(II), Co(II), Mn(II)] by a Ditopic Receptor.","Inorganic chemistry","2016","55","7","3640","3652","10.1021/acs.inorgchem.6b00176","","","0.71073","MoKα","","0.0325","0.0301","","","0.0927","0.095","","","","","","1.07","","","","has coordinates","232323","2020-10-21","18:00:00",""
"4347448","16.1563","0.0012","11.0458","0.0008","16.3922","0.0012","90","","104.037","0.002","90","","2838","0.4","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C42 H78 Cd2 N10 O18 S4 -","- C42 H78 Cd2 N10 O18 S4 -","- C84 H156 Cd4 N20 O36 S8 -","2","0.5","","Ghosh, Tamal Kanti; Dutta, Ranjan; Ghosh, Pradyut","Unusual Recognition and Separation of Hydrated Metal Sulfates [M2(μ-SO4)2(H2O)n, M = Zn(II), Cd(II), Co(II), Mn(II)] by a Ditopic Receptor.","Inorganic chemistry","2016","55","7","3640","3652","10.1021/acs.inorgchem.6b00176","","","0.71073","MoKα","","0.0198","0.019","","","0.051","0.0515","","","","","","1.09","","","","has coordinates","232323","2020-10-21","18:00:00",""
"4347449","10.272","0.002","12.289","0.002","14.188","0.003","65.551","0.004","71.476","0.004","68.979","0.004","1491.4","0.5","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C21 H27 F6 N5 O8 S2 Zn -","- C21 H27 F6 N5 O8 S2 Zn -","- C42 H54 F12 N10 O16 S4 Zn2 -","2","1","","Ghosh, Tamal Kanti; Dutta, Ranjan; Ghosh, Pradyut","Unusual Recognition and Separation of Hydrated Metal Sulfates [M2(μ-SO4)2(H2O)n, M = Zn(II), Cd(II), Co(II), Mn(II)] by a Ditopic Receptor.","Inorganic chemistry","2016","55","7","3640","3652","10.1021/acs.inorgchem.6b00176","","","0.71073","MoKα","","0.0399","0.0328","","","0.0856","0.0898","","","","","","1.05","","","","has coordinates","232323","2020-10-21","18:00:00",""
"4347450","16.0294","0.0011","10.8894","0.0008","16.4207","0.0012","90","","104.53","0.0016","90","","2774.6","0.3","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C42 H66 Co2 N10 O18 S4 -","- C42 H66 Co2 N10 O18 S4 -","- C84 H132 Co4 N20 O36 S8 -","2","0.5","","Ghosh, Tamal Kanti; Dutta, Ranjan; Ghosh, Pradyut","Unusual Recognition and Separation of Hydrated Metal Sulfates [M2(μ-SO4)2(H2O)n, M = Zn(II), Cd(II), Co(II), Mn(II)] by a Ditopic Receptor.","Inorganic chemistry","2016","55","7","3640","3652","10.1021/acs.inorgchem.6b00176","","","0.71073","MoKα","","0.0438","0.0356","","","0.1243","0.1363","","","","","","1.094","","","","has coordinates","232323","2020-10-21","18:00:00",""
"4347451","13.439","0.002","10.8861","0.0017","19.87","0.003","90","","109.719","0.004","90","","2736.5","0.7","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C38 H54 Mn2 N10 O14 S2 -","- C38 H54 Mn2 N10 O14 S2 -","- C76 H108 Mn4 N20 O28 S4 -","2","0.5","","Ghosh, Tamal Kanti; Dutta, Ranjan; Ghosh, Pradyut","Unusual Recognition and Separation of Hydrated Metal Sulfates [M2(μ-SO4)2(H2O)n, M = Zn(II), Cd(II), Co(II), Mn(II)] by a Ditopic Receptor.","Inorganic chemistry","2016","55","7","3640","3652","10.1021/acs.inorgchem.6b00176","","","0.71073","MoKα","","0.1246","0.1038","","","0.3126","0.3233","","","","","","1.153","","","","has coordinates","232323","2020-10-21","18:00:00",""
"4347452","17.336","0.003","17.945","0.003","18.528","0.003","108.258","0.005","94.285","0.005","90.647","0.005","5454.8","1.6","106","2","106","2","","","","","","","","5","P -1","-P 1","2","","","","- C92 H112 Gd4 N16 O34 -","- C92 H104 Gd4 N16 O34 -","- C184 H208 Gd8 N32 O68 -","2","1","","Mondal, Amit Kumar; Jena, Himanshu Sekhar; Malviya, Amita; Konar, Sanjit","Lanthanide-Directed Fabrication of Four Tetranuclear Quadruple Stranded Helicates Showing Magnetic Refrigeration and Slow Magnetic Relaxation.","Inorganic chemistry","2016","55","11","5237","5244","10.1021/acs.inorgchem.6b00177","","","0.71073","MoKα","","0.1056","0.0898","","","0.2054","0.2144","","","","","","1.233","","","","has coordinates","232324","2020-10-21","18:00:00",""
"4347453","17.336","0.003","17.945","0.003","18.528","0.003","108.258","0.005","94.285","0.005","90.647","0.005","5454.8","1.6","106","2","105.7","","","","","","","","","5","P -1","-P 1","2","","","","- C92 H104 Dy4 N16 O35 -","- C92 H94 Dy4 N16 O35 -","- C184 H188 Dy8 N32 O70 -","2","1","","Mondal, Amit Kumar; Jena, Himanshu Sekhar; Malviya, Amita; Konar, Sanjit","Lanthanide-Directed Fabrication of Four Tetranuclear Quadruple Stranded Helicates Showing Magnetic Refrigeration and Slow Magnetic Relaxation.","Inorganic chemistry","2016","55","11","5237","5244","10.1021/acs.inorgchem.6b00177","","","0.71073","MoKα","","0.1039","0.0882","","","0.1964","0.2176","","","","","","1.0951","","","","has coordinates,has disorder","232324","2020-10-21","18:00:00",""
"4347454","13.205","0.003","17.931","0.004","24.533","0.005","69.904","0.005","81.134","0.005","77.908","0.005","5313","2","104","2","104","2","","","","","","","","5","P -1","-P 1","2","","","","- C88 H115 Er4 N18 O41 -","- C88 H97 Er4 N18 O41 -","- C176 H194 Er8 N36 O82 -","2","1","","Mondal, Amit Kumar; Jena, Himanshu Sekhar; Malviya, Amita; Konar, Sanjit","Lanthanide-Directed Fabrication of Four Tetranuclear Quadruple Stranded Helicates Showing Magnetic Refrigeration and Slow Magnetic Relaxation.","Inorganic chemistry","2016","55","11","5237","5244","10.1021/acs.inorgchem.6b00177","","","0.71073","MoKα","","0.1082","0.069","","","0.1767","0.1957","","","","","","1.287","","","","has coordinates","232324","2020-10-21","18:00:00",""
"4347455","28.876","0.002","21.597","0.002","17.0366","0.0013","90","","90.226","0.004","90","","10624.5","1.5","103","2","103","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C90 H106 Dy4 N21 O45 -","- C90 H96 Dy4 N21 O45 -","- C360 H384 Dy16 N84 O180 -","4","0.5","","Mondal, Amit Kumar; Jena, Himanshu Sekhar; Malviya, Amita; Konar, Sanjit","Lanthanide-Directed Fabrication of Four Tetranuclear Quadruple Stranded Helicates Showing Magnetic Refrigeration and Slow Magnetic Relaxation.","Inorganic chemistry","2016","55","11","5237","5244","10.1021/acs.inorgchem.6b00177","","","0.71073","MoKα","","0.0425","0.0424","","","0.1119","0.1119","","","","","","1.146","","","","has coordinates","232324","2020-10-21","18:00:00",""
"4347456","39.356","0.006","39.356","0.006","15.783","0.003","90","","90","","120","","21171","6","293","2","293","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C42 H55 Mn3 N8 O17 -","- C35 H33 Mn3 N6 O12 -","- C630 H594 Mn54 N108 O216 -","18","1","","Jiang, Xiang; Liu, Cai-Ming; Kou, Hui-Zhong","Porous Coordination Polymers Based on {Mn6} Single-Molecule Magnets.","Inorganic chemistry","2016","55","12","5880","5885","10.1021/acs.inorgchem.6b00179","","","0.71073","MoKα","","0.2071","0.1043","","","0.3003","0.3516","","","","","","1","","","","has coordinates","232325","2020-10-21","18:00:00",""
"4347457","39.51","0.006","39.51","0.006","15.795","0.003","90","","90","","120","","21353","6","293","2","293","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C43 H54 Mn3 N7 O15 -","- C36 H34 Mn3 N5 O11 -","- C648 H612 Mn54 N90 O198 -","18","1","","Jiang, Xiang; Liu, Cai-Ming; Kou, Hui-Zhong","Porous Coordination Polymers Based on {Mn6} Single-Molecule Magnets.","Inorganic chemistry","2016","55","12","5880","5885","10.1021/acs.inorgchem.6b00179","","","0.71073","MoKα","","0.2039","0.095","","","0.2647","0.3214","","","","","","1.033","","","","has coordinates","232326","2020-10-21","18:00:00",""
"4347458","39.196","0.006","39.196","0.006","15.796","0.003","90","","90","","120","","21017","6","293","2","293","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C42 H53 Mn3 N8 O15 -","- C35 H33 Mn3 N6 O11 -","- C630 H594 Mn54 N108 O198 -","18","1","","Jiang, Xiang; Liu, Cai-Ming; Kou, Hui-Zhong","Porous Coordination Polymers Based on {Mn6} Single-Molecule Magnets.","Inorganic chemistry","2016","55","12","5880","5885","10.1021/acs.inorgchem.6b00179","","","0.71073","MoKα","","0.1318","0.0821","","","0.2568","0.2993","","","","","","1.072","","","","has coordinates","232327","2020-10-21","18:00:00",""
"4347459","21.6652","0.0015","6.8368","0.0004","11.2541","0.0007","90","","106.743","0.003","90","","1596.3","0.18","150","2","150","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C13 H23 Ag N3 O4 P -","- C13 H23 Ag N3 O4 P -","- C52 H92 Ag4 N12 O16 P4 -","4","1","","Jaros, Sabina W.; Guedes da Silva, M Fátima C; Florek, Magdalena; Smoleński, Piotr; Pombeiro, Armando J. L.; Kirillov, Alexander M.","Silver(I) 1,3,5-Triaza-7-phosphaadamantane Coordination Polymers Driven by Substituted Glutarate and Malonate Building Blocks: Self-Assembly Synthesis, Structural Features, and Antimicrobial Properties.","Inorganic chemistry","2016","55","12","5886","5894","10.1021/acs.inorgchem.6b00186","","","0.71073","MoKα","","0.0205","0.0203","","","0.0535","0.0537","","","","","","0.806","","","","has coordinates","232328","2020-10-21","18:00:00",""
"4347460","6.8485","0.0002","27.3531","0.0007","17.0824","0.0005","90","","91.631","0.001","90","","3198.71","0.16","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C23 H48 Ag2 N6 O11 P2 -","- C23 H48 Ag2 N6 O11 P2 -","- C92 H192 Ag8 N24 O44 P8 -","4","1","","Jaros, Sabina W.; Guedes da Silva, M Fátima C; Florek, Magdalena; Smoleński, Piotr; Pombeiro, Armando J. L.; Kirillov, Alexander M.","Silver(I) 1,3,5-Triaza-7-phosphaadamantane Coordination Polymers Driven by Substituted Glutarate and Malonate Building Blocks: Self-Assembly Synthesis, Structural Features, and Antimicrobial Properties.","Inorganic chemistry","2016","55","12","5886","5894","10.1021/acs.inorgchem.6b00186","","","0.71069","MoKα","","0.0517","0.0512","","","0.1074","0.1076","","","","","","1.33","","","","has coordinates","232329","2020-10-21","18:00:00",""
"4347461","10.425","0.002","31.106","0.007","11.865","0.003","90","","115.066","0.006","90","","3485.2","1.4","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C30 H42 Ag2 N6 O10 P2 -","- C30 H42 Ag2 N6 O10 P2 -","- C120 H168 Ag8 N24 O40 P8 -","4","1","","Jaros, Sabina W.; Guedes da Silva, M Fátima C; Florek, Magdalena; Smoleński, Piotr; Pombeiro, Armando J. L.; Kirillov, Alexander M.","Silver(I) 1,3,5-Triaza-7-phosphaadamantane Coordination Polymers Driven by Substituted Glutarate and Malonate Building Blocks: Self-Assembly Synthesis, Structural Features, and Antimicrobial Properties.","Inorganic chemistry","2016","55","12","5886","5894","10.1021/acs.inorgchem.6b00186","","","0.71069","MoKα","","0.0494","0.0336","","","0.071","0.077","","","","","","1.02","","","","has coordinates","232330","2020-10-21","18:00:00",""
"4347462","24.0875","0.0009","27.8262","0.0008","30.3154","0.0013","90","","90","","90","","20319.3","1.3","133","2","133","2","","","","","","","","4","P b c m","-P 2c 2b","57","","","","- C164 H105 Eu5 O45 -","- C164 H105 Eu5 O45 -","- C656 H420 Eu20 O180 -","4","0.5","","Xu, Hang; Fang, Ming; Cao, Chun-Shuai; Qiao, Wan-Zhen; Zhao, Bin","Unique (3,4,10)-Connected Lanthanide-Organic Framework as a Recyclable Chemical Sensor for Detecting Al(3.).","Inorganic chemistry","2016","55","10","4790","4794","10.1021/acs.inorgchem.6b00190","","","0.71073","MoKα","","0.1726","0.0945","","","0.2173","0.2751","","","","","","1.021","","","","has coordinates,has disorder","232331","2020-10-21","18:00:00",""
"4347463","24.435","0.002","27.255","0.003","30.407","0.003","90","","90","","90","","20250","3","133","2","133","2","","","","","","","","4","P b c m","-P 2c 2b","57","","","","- C164 H105 Dy5 O47 -","- C164 H105 Dy5 O47 -","- C656 H420 Dy20 O188 -","4","0.5","","Xu, Hang; Fang, Ming; Cao, Chun-Shuai; Qiao, Wan-Zhen; Zhao, Bin","Unique (3,4,10)-Connected Lanthanide-Organic Framework as a Recyclable Chemical Sensor for Detecting Al(3.).","Inorganic chemistry","2016","55","10","4790","4794","10.1021/acs.inorgchem.6b00190","","","0.71075","MoKα","","0.0807","0.0769","","","0.2183","0.2224","","","","","","1.127","","","","has coordinates,has disorder","232331","2020-10-21","18:00:00",""
"4347464","23.9063","0.0006","27.4059","0.0005","30.321","0.0004","90","","90","","90","","19865.5","0.7","125","4","125","4","","","","","","","","4","P b c m","-P 2c 2b","57","","","","- C164 H110.8 O48 Yb5 -","- C164 H110.802 O48 Yb5 -","- C656 H443.208 O192 Yb20 -","4","0.5","","Xu, Hang; Fang, Ming; Cao, Chun-Shuai; Qiao, Wan-Zhen; Zhao, Bin","Unique (3,4,10)-Connected Lanthanide-Organic Framework as a Recyclable Chemical Sensor for Detecting Al(3.).","Inorganic chemistry","2016","55","10","4790","4794","10.1021/acs.inorgchem.6b00190","","x-ray","0.71073","MoKα","","0.0995","0.0731","","","0.2001","0.2265","","","","","","1.028","","","","has coordinates,has disorder","232331","2020-10-21","18:00:00",""
"4347465","19.103","0.0007","19.103","0.0007","8.1014","0.0003","90","","90","","120","","2560.32","0.16","150","2","150","2","","","","","","","","8","P -3","-P 3","147","","","","- C90 H103 Cu8 F6 Fe6 N12 P S12 -","- C90 H103 Cu8 F6 Fe6 N12 P S12 -","- C90 H103 Cu8 F6 Fe6 N12 P S12 -","1","0.166667","","Kishore, Pilli V. V. N.; Liao, Jian-Hong; Hou, Hsing-Nan; Lin, Yan-Ru; Liu, C. W.","Ferrocene-Functionalized Cu(I)/Ag(I) Dithiocarbamate Clusters.","Inorganic chemistry","2016","55","7","3663","3673","10.1021/acs.inorgchem.6b00201","","","0.71073","MoKα","","0.0725","0.0452","","","0.11","0.1237","","","","","","1.033","","","","has coordinates","232332","2020-10-21","18:00:00",""
"4347466","12.7042","0.0003","13.3247","0.0004","15.4139","0.0004","78.8237","0.0007","83.5267","0.0007","70.809","0.0006","2414.14","0.11","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C90 H109 Cu7 Fe6 N6 S12 -","- C90 H109 Cu7 Fe6 N6 S12 -","- C90 H109 Cu7 Fe6 N6 S12 -","1","0.5","","Kishore, Pilli V. V. N.; Liao, Jian-Hong; Hou, Hsing-Nan; Lin, Yan-Ru; Liu, C. W.","Ferrocene-Functionalized Cu(I)/Ag(I) Dithiocarbamate Clusters.","Inorganic chemistry","2016","55","7","3663","3673","10.1021/acs.inorgchem.6b00201","","","0.71073","MoKα","","0.0576","0.0465","","","0.119","0.1271","","","","","","1.045","","","","has coordinates,has disorder","232332","2020-10-21","18:00:00",""
"4347467","15.708","0.007","34.184","0.015","22.178","0.009","90","","110.188","0.011","90","","11177","8","296","2","296","2","","","","","","","","9","P 1 21/n 1","-P 2yn","14","","","","- C109 H95 Cl9 Cu3 F6 Fe4 N2 P5 S4 -","- C109 H95 Cl9 Cu3 F6 Fe4 N2 P5 S4 -","- C436 H380 Cl36 Cu12 F24 Fe16 N8 P20 S16 -","4","1","","Kishore, Pilli V. V. N.; Liao, Jian-Hong; Hou, Hsing-Nan; Lin, Yan-Ru; Liu, C. W.","Ferrocene-Functionalized Cu(I)/Ag(I) Dithiocarbamate Clusters.","Inorganic chemistry","2016","55","7","3663","3673","10.1021/acs.inorgchem.6b00201","","","0.71073","MoKα","","0.1461","0.0977","","","0.2623","0.2972","","","","","","1.058","","","","has coordinates,has disorder","232332","2020-10-21","18:00:00",""
"4347468","10.1901","0.0004","11.0874","0.0004","13.3699","0.0006","99.72","0.001","104.811","0.001","98.569","0.001","1409.83","0.1","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C62 H58 Ag2 Fe2 N2 P2 S4 -","- C62 H58 Ag2 Fe2 N2 P2 S4 -","- C62 H58 Ag2 Fe2 N2 P2 S4 -","1","0.5","","Kishore, Pilli V. V. N.; Liao, Jian-Hong; Hou, Hsing-Nan; Lin, Yan-Ru; Liu, C. W.","Ferrocene-Functionalized Cu(I)/Ag(I) Dithiocarbamate Clusters.","Inorganic chemistry","2016","55","7","3663","3673","10.1021/acs.inorgchem.6b00201","","","0.71073","MoKα","","0.0281","0.0235","","","0.0573","0.0602","","","","","","1.021","","","","has coordinates","232332","2020-10-21","18:00:00",""
"4347469","15.3196","0.0011","15.5413","0.0011","20.7294","0.0015","106.163","0.001","107.877","0.002","94.706","0.002","4435.1","0.6","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C108 H231 Cu28 F6 N12 P S24 -","- C108 H231 Cu28 F6 N12 P S24 -","- C108 H231 Cu28 F6 N12 P S24 -","1","0.5","","Kishore, Pilli V. V. N.; Liao, Jian-Hong; Hou, Hsing-Nan; Lin, Yan-Ru; Liu, C. W.","Ferrocene-Functionalized Cu(I)/Ag(I) Dithiocarbamate Clusters.","Inorganic chemistry","2016","55","7","3663","3673","10.1021/acs.inorgchem.6b00201","","","0.71073","MoKα","","0.0411","0.0349","","","0.0938","0.0975","","","","","","1.08","","","","has coordinates,has disorder","232332","2020-10-21","18:00:00",""
"4347470","17.2091","0.0008","9.5711","0.0004","26.2779","0.0011","90","","90","","90","","4328.2","0.3","150","2","150","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C18 H24 Mo N2 O S4 -","- C18 H24 Mo N2 O S4 -","- C144 H192 Mo8 N16 O8 S32 -","8","1","","Garrett, Benjamin R.; Polen, Shane M.; Click, Kevin A.; He, Mingfu; Huang, Zhongjie; Hadad, Christopher M.; Wu, Yiying","Tunable Molecular MoS2 Edge-Site Mimics for Catalytic Hydrogen Production.","Inorganic chemistry","2016","55","8","3960","3966","10.1021/acs.inorgchem.6b00206","","x-ray","0.71073","MoKα","","0.0772","0.0503","","","0.1292","0.1446","","","","","","1.036","","","","has coordinates,has disorder","232333","2020-10-21","18:00:00",""
"4347471","15.293","0.0002","10.7524","0.0001","14.7693","0.0001","90","","116.144","0.001","90","","2180.14","0.04","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C19 H20 Mo N2 O3 S4 -","- C19 H20 Mo N2 O3 S4 -","- C76 H80 Mo4 N8 O12 S16 -","4","1","","Garrett, Benjamin R.; Polen, Shane M.; Click, Kevin A.; He, Mingfu; Huang, Zhongjie; Hadad, Christopher M.; Wu, Yiying","Tunable Molecular MoS2 Edge-Site Mimics for Catalytic Hydrogen Production.","Inorganic chemistry","2016","55","8","3960","3966","10.1021/acs.inorgchem.6b00206","","x-ray","0.71073","MoKα","","0.0302","0.0253","","","0.0613","0.0639","","","","","","1.108","","","","has coordinates,has disorder","232334","2020-10-21","18:00:00",""
"4347472","11.342","0.002","14.41","0.003","17.142","0.003","100.301","0.002","106.67","0.002","111.644","0.002","2363.8","0.8","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C37 H41 Bi Co F18 O10 -","- C37 H41 Bi Co F18 O10 -","- C74 H82 Bi2 Co2 F36 O20 -","2","1","","Lieberman, Craig M.; Wei, Zheng; Filatov, Alexander S.; Dikarev, Evgeny V.","Mixed-Ligand Approach to Changing the Metal Ratio in Bismuth-Transition Metal Heterometallic Precursors.","Inorganic chemistry","2016","55","8","3946","3951","10.1021/acs.inorgchem.6b00209","","","0.71073","MoKα","","0.0341","0.0296","","","0.0723","0.0743","","","","","","1.066","","","","has coordinates,has disorder","232335","2020-10-21","18:00:00",""
"4347473","11.18","0.002","13.596","0.002","31.448","0.006","90","","94.279","0.002","90","","4766.9","1.4","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C37 H41 Bi F18 Ni O10 -","- C37 H41 Bi F18 Ni O10 -","- C148 H164 Bi4 F72 Ni4 O40 -","4","1","","Lieberman, Craig M.; Wei, Zheng; Filatov, Alexander S.; Dikarev, Evgeny V.","Mixed-Ligand Approach to Changing the Metal Ratio in Bismuth-Transition Metal Heterometallic Precursors.","Inorganic chemistry","2016","55","8","3946","3951","10.1021/acs.inorgchem.6b00209","","","0.71073","MoKα","","0.0514","0.0382","","","0.0806","0.0853","","","","","","1.054","","","","has coordinates,has disorder","232335","2020-10-21","18:00:00",""
"4347474","11.6565","0.0015","12.8922","0.0016","16.78","0.002","72.377","0.003","82.073","0.003","86.02","0.003","2379.3","0.5","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C37 H41 Bi F18 Mn O10 -","- C37 H41 Bi F18 Mn O10 -","- C74 H82 Bi2 F36 Mn2 O20 -","2","1","","Lieberman, Craig M.; Wei, Zheng; Filatov, Alexander S.; Dikarev, Evgeny V.","Mixed-Ligand Approach to Changing the Metal Ratio in Bismuth-Transition Metal Heterometallic Precursors.","Inorganic chemistry","2016","55","8","3946","3951","10.1021/acs.inorgchem.6b00209","","","0.71073","MoKα","","0.0489","0.0355","","","0.073","0.0779","","","","","","1.07","","","","has coordinates,has disorder","232335","2020-10-21","18:00:00",""
"4347475","11.3391","0.0016","14.413","0.002","17.14","0.002","100.423","0.002","106.558","0.002","111.627","0.002","2364","0.5","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C37 H41 Bi F18 Ni O10 -","- C37 H41 Bi F18 Ni O10 -","- C74 H82 Bi2 F36 Ni2 O20 -","2","1","","Lieberman, Craig M.; Wei, Zheng; Filatov, Alexander S.; Dikarev, Evgeny V.","Mixed-Ligand Approach to Changing the Metal Ratio in Bismuth-Transition Metal Heterometallic Precursors.","Inorganic chemistry","2016","55","8","3946","3951","10.1021/acs.inorgchem.6b00209","","","0.71073","MoKα","","0.0419","0.0343","","","0.0796","0.0835","","","","","","1.025","","","","has coordinates,has disorder","232335","2020-10-21","18:00:00",""
"4347476","14.754","0.012","14.763","0.012","15.556","0.01","64.15","0.03","61.78","0.02","81.56","0.02","2679","4","200","2","200","2","","","","","","","","7","P -1","-P 1","2","","","","- C57 H36 Cl3 N2 O9 Re3 Se2 -","- C57 H36 Cl3 N2 O9 Re3 Se2 -","- C114 H72 Cl6 N4 O18 Re6 Se4 -","2","1","","Kaur, Tejinder; Lee, Way-Zen; Ravikanth, Mangalampalli","Rhenium(I) Tricarbonyl Complexes of meso-Tetraaryl-21,23-diheteroporphyrins.","Inorganic chemistry","2016","55","11","5305","5311","10.1021/acs.inorgchem.6b00214","","","0.71073","MoKα","","0.1676","0.0753","","","0.1595","0.1969","","","","","","1.007","","","","has coordinates","232336","2020-10-21","18:00:00",""
"4347477","19.974","0.014","13.135","0.01","9.901","0.007","90","","113.308","0.011","90","","2386","3","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C20 H16 Eu N5 O8 -","- C20 H14 Eu N5 O8 -","- C80 H56 Eu4 N20 O32 -","4","0.5","","Li, Gao-Peng; Liu, Ge; Li, Yong-Zhi; Hou, Lei; Wang, Yao-Yu; Zhu, Zhonghua","Uncommon Pyrazoyl-Carboxyl Bifunctional Ligand-Based Microporous Lanthanide Systems: Sorption and Luminescent Sensing Properties.","Inorganic chemistry","2016","55","8","3952","3959","10.1021/acs.inorgchem.6b00217","","","0.71073","MoKα","","0.0421","0.035","","","0.0802","0.0846","","","","","","1.014","","","","has coordinates","232337","2020-10-21","18:00:00",""
"4347478","20.01","0.004","13.193","0.003","9.895","0.0019","90","","113.142","0.003","90","","2402","0.9","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C20 H16 N5 O8 Tb -","- C20 H14 N5 O8 Tb -","- C80 H56 N20 O32 Tb4 -","4","0.5","","Li, Gao-Peng; Liu, Ge; Li, Yong-Zhi; Hou, Lei; Wang, Yao-Yu; Zhu, Zhonghua","Uncommon Pyrazoyl-Carboxyl Bifunctional Ligand-Based Microporous Lanthanide Systems: Sorption and Luminescent Sensing Properties.","Inorganic chemistry","2016","55","8","3952","3959","10.1021/acs.inorgchem.6b00217","","","0.71073","MoKα","","0.0409","0.0327","","","0.0714","0.0751","","","","","","1.024","","","","has coordinates","232337","2020-10-21","18:00:00",""
"4347479","19.81","0.01","13.153","0.007","9.806","0.005","90","","113.196","0.008","90","","2349","2","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C20 H16 Er N5 O8 -","- C20 H14 Er N5 O8 -","- C80 H56 Er4 N20 O32 -","4","0.5","","Li, Gao-Peng; Liu, Ge; Li, Yong-Zhi; Hou, Lei; Wang, Yao-Yu; Zhu, Zhonghua","Uncommon Pyrazoyl-Carboxyl Bifunctional Ligand-Based Microporous Lanthanide Systems: Sorption and Luminescent Sensing Properties.","Inorganic chemistry","2016","55","8","3952","3959","10.1021/acs.inorgchem.6b00217","","","0.71073","MoKα","","0.036","0.029","","","0.0602","0.0627","","","","","","1.036","","","","has coordinates","232337","2020-10-21","18:00:00",""
"4347480","8.6801","0.0007","38.646","0.003","13.2535","0.001","90","","107.141","0.002","90","","4248.4","0.6","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C48 H50 As2 P2 -","- C48 H50 As2 P2 -","- C192 H200 As8 P8 -","4","1","","Hinz, Alexander; Schulz, Axel; Villinger, Alexander","Synthesis of Heavy Cyclodipnictadiphosphanes [ClE(μ-P-Ter)]2 [E = P, As, Sb, or Bi; Ter = 2,6-bis(2,4,6-trimethylphenyl)phenyl].","Inorganic chemistry","2016","55","7","3692","3699","10.1021/acs.inorgchem.6b00218","","","0.71073","MoKα","","0.1","0.0495","","","0.0988","0.1142","","","","","","1.022","","","","has coordinates,has disorder","232338","2020-10-21","18:00:00",""
"4347481","15.9653","0.0005","14.5149","0.0005","17.7782","0.0006","90","","91.854","0.001","90","","4117.7","0.2","123","2","123","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C48 H52 As Cl N P -","- C48.0048 H52.0052 As1.0001 Cl1.0001 N1.0001 P1.0001 -","- C192.019 H208.021 As4.0004 Cl4.0004 N4.0004 P4.0004 -","4","1","","Hinz, Alexander; Schulz, Axel; Villinger, Alexander","Synthesis of Heavy Cyclodipnictadiphosphanes [ClE(μ-P-Ter)]2 [E = P, As, Sb, or Bi; Ter = 2,6-bis(2,4,6-trimethylphenyl)phenyl].","Inorganic chemistry","2016","55","7","3692","3699","10.1021/acs.inorgchem.6b00218","","","0.71073","MoKα","","0.0732","0.0428","","","0.1014","0.1141","","","","","","1.03","","","","has coordinates,has disorder","232338","2020-10-21","18:00:00",""
"4347482","16.0768","0.0006","14.5459","0.0006","17.9595","0.0007","90","","90.972","0.002","90","","4199.3","0.3","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C48 H52 Cl N P Sb -","- C48 H52 Cl N P Sb -","- C192 H208 Cl4 N4 P4 Sb4 -","4","1","","Hinz, Alexander; Schulz, Axel; Villinger, Alexander","Synthesis of Heavy Cyclodipnictadiphosphanes [ClE(μ-P-Ter)]2 [E = P, As, Sb, or Bi; Ter = 2,6-bis(2,4,6-trimethylphenyl)phenyl].","Inorganic chemistry","2016","55","7","3692","3699","10.1021/acs.inorgchem.6b00218","","","0.71073","MoKα","","0.0507","0.0339","","","0.0794","0.0919","","","","","","1.038","","","","has coordinates,has disorder","232338","2020-10-21","18:00:00",""
"4347483","9.5435","0.0004","20.4621","0.0007","25.4288","0.0009","90","","99.148","0.002","90","","4902.6","0.3","123","2","123","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C54 H56 Bi2 Cl2 P2 -","- C54 H56 Bi2 Cl2 P2 -","- C216 H224 Bi8 Cl8 P8 -","4","1","","Hinz, Alexander; Schulz, Axel; Villinger, Alexander","Synthesis of Heavy Cyclodipnictadiphosphanes [ClE(μ-P-Ter)]2 [E = P, As, Sb, or Bi; Ter = 2,6-bis(2,4,6-trimethylphenyl)phenyl].","Inorganic chemistry","2016","55","7","3692","3699","10.1021/acs.inorgchem.6b00218","","","0.71073","MoKα","","0.0568","0.0328","","","0.0509","0.0566","","","","","","1.01","","","","has coordinates","232338","2020-10-21","18:00:00",""
"4347484","12.715","0.0005","18.7806","0.0007","22.7572","0.0008","96.027","0.002","103.32","0.002","92.838","0.002","5243.6","0.3","123","2","123","2","","","","","","","","5","P -1","-P 1","2","","","","- C51 H53 Bi3 Cl5 P2 -","- C51 H53 Bi3 Cl5 P2 -","- C204 H212 Bi12 Cl20 P8 -","4","2","","Hinz, Alexander; Schulz, Axel; Villinger, Alexander","Synthesis of Heavy Cyclodipnictadiphosphanes [ClE(μ-P-Ter)]2 [E = P, As, Sb, or Bi; Ter = 2,6-bis(2,4,6-trimethylphenyl)phenyl].","Inorganic chemistry","2016","55","7","3692","3699","10.1021/acs.inorgchem.6b00218","","","0.71073","MoKα","","0.0694","0.0423","","","0.0861","0.0968","","","","","","1.03","","","","has coordinates,has disorder","232338","2020-10-21","18:00:00",""
"4347485","40.2089","0.0019","15.4803","0.0008","15.7137","0.0008","90","","90","","90","","9780.9","0.8","123","2","123","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C48 H50 Bi3 Cl5 P2 -","- C48 H50 Bi3 Cl5 P2 -","- C384 H400 Bi24 Cl40 P16 -","8","1","","Hinz, Alexander; Schulz, Axel; Villinger, Alexander","Synthesis of Heavy Cyclodipnictadiphosphanes [ClE(μ-P-Ter)]2 [E = P, As, Sb, or Bi; Ter = 2,6-bis(2,4,6-trimethylphenyl)phenyl].","Inorganic chemistry","2016","55","7","3692","3699","10.1021/acs.inorgchem.6b00218","","","0.71073","MoKα","","0.0913","0.0438","","","0.066","0.079","","","","","","1.017","","","","has coordinates","232338","2020-10-21","18:00:00",""
"4347486","8.8387","0.0005","40.938","0.003","13.018","0.0008","90","","92.466","0.003","90","","4706.1","0.5","123","2","123","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C51.5 H54 Cl2 P2 Sb2 -","- C51.5 H54 Cl2 P2 Sb2 -","- C206 H216 Cl8 P8 Sb8 -","4","1","","Hinz, Alexander; Schulz, Axel; Villinger, Alexander","Synthesis of Heavy Cyclodipnictadiphosphanes [ClE(μ-P-Ter)]2 [E = P, As, Sb, or Bi; Ter = 2,6-bis(2,4,6-trimethylphenyl)phenyl].","Inorganic chemistry","2016","55","7","3692","3699","10.1021/acs.inorgchem.6b00218","","","0.71073","MoKα","","0.0439","0.0356","","","0.0706","0.0733","","","","","","1.147","","","","has coordinates","232338","2020-10-21","18:00:00",""
"4347487","14.2886","0.0005","19.7314","0.0007","23.5236","0.0008","90","","94.439","0.002","90","","6612.2","0.4","123","2","123","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C72 H82 Cl3 N2 P2 Sb2 -","- C72 H82 Cl3 N2 P2 Sb2 -","- C288 H328 Cl12 N8 P8 Sb8 -","4","1","","Hinz, Alexander; Schulz, Axel; Villinger, Alexander","Synthesis of Heavy Cyclodipnictadiphosphanes [ClE(μ-P-Ter)]2 [E = P, As, Sb, or Bi; Ter = 2,6-bis(2,4,6-trimethylphenyl)phenyl].","Inorganic chemistry","2016","55","7","3692","3699","10.1021/acs.inorgchem.6b00218","","","0.71073","MoKα","","0.0802","0.0399","","","0.0693","0.0832","","","","","","1.014","","","","has coordinates,has disorder","232338","2020-10-21","18:00:00",""
"4347488","24.229","0.0016","14.4468","0.001","24.3195","0.0013","90","","90","","90","","8512.6","0.9","123","2","123","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C48 H50 Cl2 P4 -","- C48 H50 Cl2 P4 -","- C384 H400 Cl16 P32 -","8","1","","Hinz, Alexander; Schulz, Axel; Villinger, Alexander","Synthesis of Heavy Cyclodipnictadiphosphanes [ClE(μ-P-Ter)]2 [E = P, As, Sb, or Bi; Ter = 2,6-bis(2,4,6-trimethylphenyl)phenyl].","Inorganic chemistry","2016","55","7","3692","3699","10.1021/acs.inorgchem.6b00218","","","0.71073","MoKα","","0.1068","0.048","","","0.0919","0.1167","","","","","","1.002","","","","has coordinates,has disorder","232338","2020-10-21","18:00:00",""
"4347489","12.362","0.0003","15.7778","0.0004","49.6197","0.0015","90","","90","","90","","9678.1","0.4","123","2","123","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C53.91 H55.91 As2 Cl2 P2 -","- C53.9076 H55.9076 As2 Cl2 P2 -","- C431.261 H447.261 As16 Cl16 P16 -","8","1","","Hinz, Alexander; Schulz, Axel; Villinger, Alexander","Synthesis of Heavy Cyclodipnictadiphosphanes [ClE(μ-P-Ter)]2 [E = P, As, Sb, or Bi; Ter = 2,6-bis(2,4,6-trimethylphenyl)phenyl].","Inorganic chemistry","2016","55","7","3692","3699","10.1021/acs.inorgchem.6b00218","","","0.71073","MoKα","","0.0991","0.0461","","","0.0812","0.0969","","","","","","1.014","","","","has coordinates,has disorder","232338","2020-10-21","18:00:00",""
"4347490","25.4408","0.001","14.2572","0.0006","24.9872","0.0012","90","","101.628","0.003","90","","8877.2","0.7","123","2","123","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C48.11 H50.22 As2 Cl2.22 P2 -","- C48.113 H50.226 As2 Cl2.2259 P2 -","- C384.904 H401.808 As16 Cl17.8072 P16 -","8","2","","Hinz, Alexander; Schulz, Axel; Villinger, Alexander","Synthesis of Heavy Cyclodipnictadiphosphanes [ClE(μ-P-Ter)]2 [E = P, As, Sb, or Bi; Ter = 2,6-bis(2,4,6-trimethylphenyl)phenyl].","Inorganic chemistry","2016","55","7","3692","3699","10.1021/acs.inorgchem.6b00218","","","0.71073","MoKα","","0.1518","0.0609","","","0.1073","0.1393","","","","","","1","","","","has coordinates,has disorder","232338","2020-10-21","18:00:00",""
"4347491","18.6397","0.0005","12.4461","0.0003","30.7444","0.0009","90","","90","","90","","7132.4","0.3","180","","180","","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C29.5 H35 Br Dy N3 O12.5 Zn -","- C29.5 H31 Br Dy N3 O12.5 Zn -","- C236 H248 Br8 Dy8 N24 O100 Zn8 -","8","1","","Costes, Jean Pierre; Titos-Padilla, Silvia; Oyarzabal, Itziar; Gupta, Tulika; Duhayon, Carine; Rajaraman, Gopalan; Colacio, Enrique","Effect of Ligand Substitution around the Dy(III) on the SMM Properties of Dual-Luminescent Zn-Dy and Zn-Dy-Zn Complexes with Large Anisotropy Energy Barriers: A Combined Theoretical and Experimental Magnetostructural Study.","Inorganic chemistry","2016","55","9","4428","4440","10.1021/acs.inorgchem.6b00228","","","0.71073","MoKα","","0.0505","0.0441","","0.0531","0.0412","0.0392","","","","","","1.0184","","","","has coordinates","232339","2020-10-21","18:00:00",""
"4347492","8.39264","0.00012","29.4811","0.0005","20.2037","0.0003","90","","93.7377","0.0013","90","","4988.25","0.13","100","","100","","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C36 H55 Br2 Cl Dy N6 O12 Zn2 -","- C36 H53 Br2 Cl Dy N6 O12 Zn2 -","- C144 H212 Br8 Cl4 Dy4 N24 O48 Zn8 -","4","1","","Costes, Jean Pierre; Titos-Padilla, Silvia; Oyarzabal, Itziar; Gupta, Tulika; Duhayon, Carine; Rajaraman, Gopalan; Colacio, Enrique","Effect of Ligand Substitution around the Dy(III) on the SMM Properties of Dual-Luminescent Zn-Dy and Zn-Dy-Zn Complexes with Large Anisotropy Energy Barriers: A Combined Theoretical and Experimental Magnetostructural Study.","Inorganic chemistry","2016","55","9","4428","4440","10.1021/acs.inorgchem.6b00228","","","0.71073","MoKα","","0.0828","0.0654","","0.0737","0.0633","0.0616","","","","","","1.0853","","","","has coordinates","232340","2020-10-21","18:00:00",""
"4347493","20.449","0.002","32.406","0.003","17.828","0.002","90","","112.518","0.001","90","","10913.4","1.9","123","2","123","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C112 H169 Na3 O12 Zr2 -","- C112 H169 Na3 O12 Zr2 -","- C448 H676 Na12 O48 Zr8 -","4","1","","Nakanishi, Yusuke; Ishida, Yutaka; Kawaguchi, Hiroyuki","Zirconium Hydride Complex Supported by a Tetradentate Carbon-Centered Tripodal Tris(aryloxide) Ligand: Synthesis, Structure, and Reactivity.","Inorganic chemistry","2016","55","8","3967","3973","10.1021/acs.inorgchem.6b00233","","","0.71075","MoKα","","0.1053","0.0783","","","0.1964","0.2177","","","","","","1.077","","","","has coordinates,has disorder","232341","2020-10-21","18:00:00",""
"4347494","15.356","0.003","19.003","0.004","21.354","0.004","90","","90.029","0.004","90","","6231","2","123","2","123","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C122 H191 Na3 O19 Zr2 -","- C122 H187.96 Na3 O19 Zr2 -","- C244 H375.92 Na6 O38 Zr4 -","2","1","","Nakanishi, Yusuke; Ishida, Yutaka; Kawaguchi, Hiroyuki","Zirconium Hydride Complex Supported by a Tetradentate Carbon-Centered Tripodal Tris(aryloxide) Ligand: Synthesis, Structure, and Reactivity.","Inorganic chemistry","2016","55","8","3967","3973","10.1021/acs.inorgchem.6b00233","","","0.71075","MoKα","","0.0929","0.0701","","","0.1618","0.1869","","","","","","1.075","","","","has coordinates,has disorder","232341","2020-10-21","18:00:00",""
"4347495","23.381","0.005","14.74","0.003","40.457","0.009","90","","94.695","0.002","90","","13896","5","123","2","123","2","","","","","","","","6","P 1 c 1","P -2yc","7","","","","- C132 H212 Na3 O17.5 P3 Zr2 -","- C130 H204.38 Na3 O17 P3 Zr2 -","- C520 H817.522 Na12 O68 P12 Zr8 -","4","2","","Nakanishi, Yusuke; Ishida, Yutaka; Kawaguchi, Hiroyuki","Zirconium Hydride Complex Supported by a Tetradentate Carbon-Centered Tripodal Tris(aryloxide) Ligand: Synthesis, Structure, and Reactivity.","Inorganic chemistry","2016","55","8","3967","3973","10.1021/acs.inorgchem.6b00233","","","0.71075","MoKα","","0.1216","0.0918","","","0.203","0.2321","","","","","","1.037","","","","has coordinates,has disorder","289268","2024-02-02","08:58:43",""
"4347496","34.4443","0.0009","34.4443","0.0009","34.4443","0.0009","90","","90","","90","","40865.1","1.8","123","2","123","2","","","","","","","","6","P a -3","-P 2ac 2ab 3","205","","","","- C185 H300 N9 Na3 O18 Zr3 -","- C165 H252 N9 Na3 O18 Zr3 -","- C1320 H2016 N72 Na24 O144 Zr24 -","8","0.333333","","Nakanishi, Yusuke; Ishida, Yutaka; Kawaguchi, Hiroyuki","Zirconium Hydride Complex Supported by a Tetradentate Carbon-Centered Tripodal Tris(aryloxide) Ligand: Synthesis, Structure, and Reactivity.","Inorganic chemistry","2016","55","8","3967","3973","10.1021/acs.inorgchem.6b00233","","","0.71075","MoKα","","0.1308","0.0994","","","0.2933","0.321","","","","","","1.105","","","","has coordinates,has disorder","232341","2020-10-21","18:00:00",""
"4347497","14.1612","0.0002","52.6916","0.0009","17.1576","0.0003","90","","90.134","0.001","90","","12802.6","0.4","100","2","100","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C15 H21 B2 F8 Fe N12 P S -","- C15 H21 B2 F8 Fe N12 P S -","- C300 H420 B40 F160 Fe20 N240 P20 S20 -","20","5","","Stock, Philipp; Deck, Eva; Hohnstein, Silvia; Korzekwa, Jana; Meyer, Karsten; Heinemann, Frank W.; Breher, Frank; Hörner, Gerald","Molecular Spin Crossover in Slow Motion: Light-Induced Spin-State Transitions in Trigonal Prismatic Iron(II) Complexes.","Inorganic chemistry","2016","55","11","5254","5265","10.1021/acs.inorgchem.6b00238","","","0.71073","MoKα","","0.0634","0.0569","","","0.1234","0.1263","","","","","","1.103","","","","has coordinates,has disorder","232342","2020-10-21","18:00:00",""
"4347498","10.298","0.002","13.959","0.003","25.782","0.005","90","","97.13","0.03","90","","3677.5","1.3","200","2","200","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C21 H33 F6 Fe N12 O8 P S3 -","- C21 H33 F6 Fe N12 O8 P S3 -","- C84 H132 F24 Fe4 N48 O32 P4 S12 -","4","1","","Stock, Philipp; Deck, Eva; Hohnstein, Silvia; Korzekwa, Jana; Meyer, Karsten; Heinemann, Frank W.; Breher, Frank; Hörner, Gerald","Molecular Spin Crossover in Slow Motion: Light-Induced Spin-State Transitions in Trigonal Prismatic Iron(II) Complexes.","Inorganic chemistry","2016","55","11","5254","5265","10.1021/acs.inorgchem.6b00238","","","0.71073","MoKα","","0.0404","0.0368","","","0.1042","0.1072","","","","","","1.063","","","","has coordinates,has disorder","232342","2020-10-21","18:00:00",""
"4347499","10.078","0.0014","10.078","0.0014","16.09","0.003","90","","90","","120","","1415.3","0.4","200","2","200","2","","","","","","","","8","P 63","P 6c","173","","","","- C18 H27 B2 F8 Fe N12 P S -","- C18 H27 B1.9998 F7.9992 Fe N12 P S -","- C36 H54 B3.9996 F15.9984 Fe2 N24 P2 S2 -","2","0.333333","","Stock, Philipp; Deck, Eva; Hohnstein, Silvia; Korzekwa, Jana; Meyer, Karsten; Heinemann, Frank W.; Breher, Frank; Hörner, Gerald","Molecular Spin Crossover in Slow Motion: Light-Induced Spin-State Transitions in Trigonal Prismatic Iron(II) Complexes.","Inorganic chemistry","2016","55","11","5254","5265","10.1021/acs.inorgchem.6b00238","","","0.71073","MoKα","","0.0435","0.0429","","","0.1181","0.1194","","","","","","1.058","","","","has coordinates,has disorder","232342","2020-10-21","18:00:00",""
"4347500","13.8034","0.0011","9.9319","0.0008","13.968","0.0011","90","","90","","90","","1914.9","0.3","90","2","90","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C16 H16 Fe N4 S4 -","- C16 H16 Fe N4 S4 -","- C64 H64 Fe4 N16 S16 -","4","0.5","","Arroyave, Alejandra; Lennartson, Anders; Dragulescu-Andrasi, Alina; Pedersen, Kasper S.; Piligkos, Stergios; Stoian, Sebastian A.; Greer, Samuel M.; Pak, Chongin; Hietsoi, Oleksandr; Phan, Hoa; Hill, Stephen; McKenzie, Christine J.; Shatruk, Michael","Spin Crossover in Fe(II) Complexes with N4S2 Coordination.","Inorganic chemistry","2016","55","12","5904","5913","10.1021/acs.inorgchem.6b00246","","","0.71073","MoKα","","0.0378","0.0346","","","0.094","0.0956","","","","","","1.119","","","","has coordinates","232344","2020-10-21","18:00:00",""
"4347501","20.3243","0.0013","7.9693","0.0005","14.0085","0.0009","90","","123.205","0.001","90","","1898.5","0.2","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C16 H22 B2 Fe N4 S2 -","- C16 H22 B2 Fe N4 S2 -","- C64 H88 B8 Fe4 N16 S8 -","4","0.5","","Arroyave, Alejandra; Lennartson, Anders; Dragulescu-Andrasi, Alina; Pedersen, Kasper S.; Piligkos, Stergios; Stoian, Sebastian A.; Greer, Samuel M.; Pak, Chongin; Hietsoi, Oleksandr; Phan, Hoa; Hill, Stephen; McKenzie, Christine J.; Shatruk, Michael","Spin Crossover in Fe(II) Complexes with N4S2 Coordination.","Inorganic chemistry","2016","55","12","5904","5913","10.1021/acs.inorgchem.6b00246","","","0.71073","MoKα","","0.0331","0.0263","","","0.0641","0.0667","","","","","","1.064","","","","has coordinates","232345","2020-10-21","18:00:00",""
"4347502","13.857","0.006","9.851","0.004","14.252","0.006","90","","90","","90","","1945.5","1.4","230","2","230","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C16 H16 Fe N4 S4 -","- C16 H16 Fe N4 S4 -","- C64 H64 Fe4 N16 S16 -","4","0.5","","Arroyave, Alejandra; Lennartson, Anders; Dragulescu-Andrasi, Alina; Pedersen, Kasper S.; Piligkos, Stergios; Stoian, Sebastian A.; Greer, Samuel M.; Pak, Chongin; Hietsoi, Oleksandr; Phan, Hoa; Hill, Stephen; McKenzie, Christine J.; Shatruk, Michael","Spin Crossover in Fe(II) Complexes with N4S2 Coordination.","Inorganic chemistry","2016","55","12","5904","5913","10.1021/acs.inorgchem.6b00246","","","0.71073","MoKα","","0.0386","0.0317","","","0.0767","0.0808","","","","","","1.082","","","","has coordinates,has disorder","232346","2020-10-21","18:00:00",""
"4347503","20.824","0.01","8.093","0.004","14.26","0.007","90","","122.86","0.005","90","","2018.7","1.7","295","2","295","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C16 H22 B2 Fe N4 S2 -","- C16 H22 B2 Fe N4 S2 -","- C64 H88 B8 Fe4 N16 S8 -","4","0.5","","Arroyave, Alejandra; Lennartson, Anders; Dragulescu-Andrasi, Alina; Pedersen, Kasper S.; Piligkos, Stergios; Stoian, Sebastian A.; Greer, Samuel M.; Pak, Chongin; Hietsoi, Oleksandr; Phan, Hoa; Hill, Stephen; McKenzie, Christine J.; Shatruk, Michael","Spin Crossover in Fe(II) Complexes with N4S2 Coordination.","Inorganic chemistry","2016","55","12","5904","5913","10.1021/acs.inorgchem.6b00246","","","0.71073","MoKα","","0.0282","0.0254","","","0.0691","0.0706","","","","","","1.085","","","","has coordinates","232347","2020-10-21","18:00:00",""
"4347504","18.6567","0.0005","18.6567","0.0005","38.6198","0.0013","90","","90","","120","","11641.5","0.6","293","2","293","2","","","","","","","","4","R -3 m :H","-R 3 2""","166","","","","- C23.5 H16 Cu2 O11 -","- C23.5 H12 Cu2 O11 -","- C211.5 H108 Cu18 O99 -","9","0.25","","Jiao, Jingjing; Liu, Huimin; Bai, Dongjie; He, Yabing","A Chemically Cross-Linked NbO-Type Metal-Organic Framework: Cage or Window Partition?","Inorganic chemistry","2016","55","8","3974","3979","10.1021/acs.inorgchem.6b00253","","","1.54178","CuKα","","0.0891","0.0736","","","0.2188","0.2343","","","","","","1.016","","","","has coordinates","232348","2020-10-21","18:00:00",""
"4347505","17.588","0.005","17.588","0.005","11.615","0.004","90","","90","","90","","3593","1.9","123","2","123","2","","","","","","","","6","P 4/n :2","-P 4a","85","","","","- C60 H98 Mn4 N5 O29 Y -","- C60 H98 Mn4 N5 O29 Y -","- C120 H196 Mn8 N10 O58 Y2 -","2","0.25","","Cao, Fan; Wei, Rong-Min; Li, Jing; Yang, Li; Han, Yuan; Song, You; Dou, Jian-Min","Ferromagnetic Polarization: The Quantum Picture of Switching On/Off Single-Molecule Magnetism.","Inorganic chemistry","2016","55","12","5914","5923","10.1021/acs.inorgchem.6b00255","","","0.71073","MoKα","","0.1121","0.0837","","","0.2187","0.2341","","","","","","1.09","","","","has coordinates","232349","2020-10-21","18:00:00",""
"4347506","14.906","0.0008","14.906","0.0008","52.534","0.003","90","","90","","90","","11672.5","1.1","123","2","123","2","","","","","","","","7","I 4/m","-I 4","87","","","","- C172 H262 Mn8 N36 O44 W3 Y2 -","- C140 H182 Mn8 N32 O45 W3 Y2 -","- C280 H364 Mn16 N64 O90 W6 Y4 -","2","0.125","","Cao, Fan; Wei, Rong-Min; Li, Jing; Yang, Li; Han, Yuan; Song, You; Dou, Jian-Min","Ferromagnetic Polarization: The Quantum Picture of Switching On/Off Single-Molecule Magnetism.","Inorganic chemistry","2016","55","12","5914","5923","10.1021/acs.inorgchem.6b00255","","","0.71073","MoKα","","0.0644","0.0511","","","0.1591","0.1681","","","","","","1.043","","","","has coordinates,has disorder","232349","2020-10-21","18:00:00",""
"4347507","12.6615","0.0006","9.8438","0.0006","26.6819","0.0012","90","","90","","90","","3325.6","0.3","100","0.1","100","0.1","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C36 H20 Fe N10 S4 -","- C36 H20 Fe N10 S4 -","- C144 H80 Fe4 N40 S16 -","4","0.5","","Yang, Qian; Gao, Chen; Wang, Ye-Xin; Wang, Bing-Wu; Wang, Zhe-Ming; Gao, Song","Two Magnetic Switching Complexes Based on the Fe(II) Ion.","Inorganic chemistry","2016","55","16","7805","7807","10.1021/acs.inorgchem.6b00258","","","0.7107","MoKα","","0.093","0.081","","","0.2132","0.2233","","","","","","1.023","","","","has coordinates","232350","2020-10-21","18:00:00",""
"4347508","12.7935","0.0008","26.6085","0.0018","9.9374","0.0008","90","","90","","90","","3382.8","0.4","100.02","0.12","100.02","0.12","","","","","","","","5","A e a 2","A 2 -2ab","41","","","","- C36 H20 Fe N10 S4 -","- C36 H20 Fe N10 S4 -","- C144 H80 Fe4 N40 S16 -","4","0.5","","Yang, Qian; Gao, Chen; Wang, Ye-Xin; Wang, Bing-Wu; Wang, Zhe-Ming; Gao, Song","Two Magnetic Switching Complexes Based on the Fe(II) Ion.","Inorganic chemistry","2016","55","16","7805","7807","10.1021/acs.inorgchem.6b00258","","","0.7107","MoKα","","0.0616","0.0558","","","0.1513","0.1576","","","","","","1.06","","","","has coordinates","232350","2020-10-21","18:00:00",""
"4347509","13.402","0.0007","26.5439","0.0014","9.5831","0.0007","90","","90","","90","","3409.1","0.4","250.01","0.1","250.01","0.1","","","","","","","","5","A e a 2","A 2 -2ab","41","","","","- C36 H20 Fe N10 S4 -","- C36 H20 Fe N10 S4 -","- C144 H80 Fe4 N40 S16 -","4","0.5","","Yang, Qian; Gao, Chen; Wang, Ye-Xin; Wang, Bing-Wu; Wang, Zhe-Ming; Gao, Song","Two Magnetic Switching Complexes Based on the Fe(II) Ion.","Inorganic chemistry","2016","55","16","7805","7807","10.1021/acs.inorgchem.6b00258","","","0.7107","MoKα","","0.0678","0.0564","","","0.1566","0.1682","","","","","","1.062","","","","has coordinates","232350","2020-10-21","18:00:00",""
"4347510","10.4027","0.0013","12.3519","0.0011","10.4989","0.0009","90","","119.58","0.002","90","","1173.2","0.2","100","2","100","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C14 H32 F6 K O6 P Si2 -","- C14 H32 F6 K O6 P Si2 -","- C28 H64 F12 K2 O12 P2 Si4 -","2","1","","Reuter, Kirsten; Buchner, Magnus R.; Thiele, Günther; von Hänisch, Carsten","Stable Alkali-Metal Complexes of Hybrid Disila-Crown Ethers.","Inorganic chemistry","2016","55","9","4441","4447","10.1021/acs.inorgchem.6b00267","","","0.71073","MoKα","","0.0474","0.033","","","0.0564","0.0603","","","","","","1.02","","","","has coordinates","232351","2020-10-21","18:00:00",""
"4347511","10.1612","0.0003","13.9035","0.0005","19.6348","0.0007","90","","90","","90","","2773.93","0.16","100","","100","","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C13 H34 Cl2 F6 Li O4 P Si4 -","- C13 H34 Cl2 F6 Li O4 P Si4 -","- C52 H136 Cl8 F24 Li4 O16 P4 Si16 -","4","1","","Reuter, Kirsten; Buchner, Magnus R.; Thiele, Günther; von Hänisch, Carsten","Stable Alkali-Metal Complexes of Hybrid Disila-Crown Ethers.","Inorganic chemistry","2016","55","9","4441","4447","10.1021/acs.inorgchem.6b00267","","","0.71073","MoKα","","0.0469","0.0355","","","0.069","0.0732","","","","","","1.035","","","","has coordinates","232352","2020-10-21","18:00:00",""
"4347512","13.73","0.0007","16.9864","0.0007","16.9091","0.0008","90","","93.9527","0.0017","90","","3934.2","0.3","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C11 H24 F3 Li O7 S Si2 -","- C11 H24 F3 Li O7 S Si2 -","- C88 H192 F24 Li8 O56 S8 Si16 -","8","2","","Reuter, Kirsten; Buchner, Magnus R.; Thiele, Günther; von Hänisch, Carsten","Stable Alkali-Metal Complexes of Hybrid Disila-Crown Ethers.","Inorganic chemistry","2016","55","9","4441","4447","10.1021/acs.inorgchem.6b00267","","","0.71073","MoKα","","0.0433","0.0381","","","0.0889","0.091","","","","","","1.134","","","","has coordinates","232353","2020-10-21","18:00:00",""
"4347513","9.8536","0.0005","9.9654","0.0005","13.0638","0.0006","91.291","0.002","92.82","0.002","97.259","0.002","1270.44","0.11","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C18 H34 Cl Na O9 Si2 -","- C18 H34 Cl Na O9 Si2 -","- C36 H68 Cl2 Na2 O18 Si4 -","2","1","","Reuter, Kirsten; Buchner, Magnus R.; Thiele, Günther; von Hänisch, Carsten","Stable Alkali-Metal Complexes of Hybrid Disila-Crown Ethers.","Inorganic chemistry","2016","55","9","4441","4447","10.1021/acs.inorgchem.6b00267","","","0.71073","MoKα","","0.0474","0.0403","","","0.1092","0.1141","","","","","","1.068","","","","has coordinates","232354","2020-10-21","18:00:00",""
"4347514","16.9114","0.0013","54.51","0.003","20.0183","0.0011","90","","109.747","0.008","90","","17368","2","200","2","200","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C152 H126 Mn8 N56 Nb4 O23 -","- C152 H126 Mn8 N56 Nb4 O23 -","- C608 H504 Mn32 N224 Nb16 O92 -","4","1","","Magott, Michał; Tomkowiak, Hanna; Katrusiak, Andrzej; Nitek, Wojciech; Sieklucka, Barbara; Pinkowicz, Dawid","Two Cyanide-Bridged Mn(II)-Nb(IV) Coordination Chain Ferrimagnets Promoted by Interchain Ferromagnetic Interactions.","Inorganic chemistry","2016","55","11","5281","5286","10.1021/acs.inorgchem.6b00269","","","1.54056","CuKα","","0.3567","0.1701","","","0.3789","0.4953","","","","","","1.094","","","","has coordinates","232355","2020-10-21","18:00:00",""
"4347515","10.53","0.005","16.296","0.005","23.221","0.005","90","","109.7","0.014","90","","3751","2","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C28 H23 Mn2 N12 Nb O9 -","- C28 H23 Mn2 N12 Nb O9 -","- C112 H92 Mn8 N48 Nb4 O36 -","4","1","","Magott, Michał; Tomkowiak, Hanna; Katrusiak, Andrzej; Nitek, Wojciech; Sieklucka, Barbara; Pinkowicz, Dawid","Two Cyanide-Bridged Mn(II)-Nb(IV) Coordination Chain Ferrimagnets Promoted by Interchain Ferromagnetic Interactions.","Inorganic chemistry","2016","55","11","5281","5286","10.1021/acs.inorgchem.6b00269","","","0.71069","MoKα","","0.1286","0.0537","","","0.1182","0.147","","","","","","0.972","","","","has coordinates","232356","2020-10-21","18:00:00",""
"4347516","16.994","0.002","54.523","0.007","19.801","0.003","90","","109.553","0.003","90","","17289","4","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C152 H96 Mn8 N56 Nb4 O28 -","- C152 H96 Mn8 N56 Nb4 O28 -","- C608 H384 Mn32 N224 Nb16 O112 -","4","1","","Magott, Michał; Tomkowiak, Hanna; Katrusiak, Andrzej; Nitek, Wojciech; Sieklucka, Barbara; Pinkowicz, Dawid","Two Cyanide-Bridged Mn(II)-Nb(IV) Coordination Chain Ferrimagnets Promoted by Interchain Ferromagnetic Interactions.","Inorganic chemistry","2016","55","11","5281","5286","10.1021/acs.inorgchem.6b00269","","","0.71073","MoKα","","0.1407","0.0882","","","0.1841","0.211","","","","","","1.038","","","","has coordinates","232357","2020-10-21","18:00:00",""
"4347517","12.1065","0.0011","12.717","0.001","16.224","0.002","79.35","0.011","89.029","0.01","78.237","0.006","2402.7","0.4","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C40 H58 B2 Fe N6 O14 S4 -","- C40 H58 B2 Fe N6 O14 S4 -","- C80 H116 B4 Fe2 N12 O28 S8 -","2","1","","Marmier, Mathieu; Wise, Matthew D.; Holstein, Julian J.; Pattison, Philip; Schenk, Kurt; Solari, Euro; Scopelliti, Rosario; Severin, Kay","Carboxylic Acid Functionalized Clathrochelate Complexes: Large, Robust, and Easy-to-Access Metalloligands.","Inorganic chemistry","2016","55","8","4006","4015","10.1021/acs.inorgchem.6b00276","","","0.71073","MoKα","","0.141","0.1072","","","0.2666","0.2952","","","","","","1.111","","","","has coordinates,has disorder","232358","2020-10-21","18:00:00",""
"4347518","35.8409","0.0002","42.7516","0.0002","50.813","0.0005","90","","91.528","0.001","90","","77830.8","1","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C324 H340 B12 N41 O84 Zn20 -","- C324 H340 B12 N41 O84 Zn20 -","- C1296 H1360 B48 N164 O336 Zn80 -","4","0.5","","Marmier, Mathieu; Wise, Matthew D.; Holstein, Julian J.; Pattison, Philip; Schenk, Kurt; Solari, Euro; Scopelliti, Rosario; Severin, Kay","Carboxylic Acid Functionalized Clathrochelate Complexes: Large, Robust, and Easy-to-Access Metalloligands.","Inorganic chemistry","2016","55","8","4006","4015","10.1021/acs.inorgchem.6b00276","","","0.69633","synchrotron","","0.1192","0.1118","","","0.4136","0.4229","","","","","","2.002","","","","has coordinates,has disorder","232359","2020-10-21","18:00:00",""
"4347519","27.75","0.005","27.75","0.005","27.75","0.005","70.755","0.007","70.755","0.007","70.755","0.007","18453","6","180","2","180","2","","","","","","","","6","R -3 m :R","-P 3* 2","166","","","","- C150 H141 B6 N18 O40 Zn10 -","- C150 H141 B6 N18 O40 Zn10 -","- C300 H282 B12 N36 O80 Zn20 -","2","0.166667","","Marmier, Mathieu; Wise, Matthew D.; Holstein, Julian J.; Pattison, Philip; Schenk, Kurt; Solari, Euro; Scopelliti, Rosario; Severin, Kay","Carboxylic Acid Functionalized Clathrochelate Complexes: Large, Robust, and Easy-to-Access Metalloligands.","Inorganic chemistry","2016","55","8","4006","4015","10.1021/acs.inorgchem.6b00276","","","0.71073","MoKα","","0.1327","0.1036","","","0.3446","0.3878","","","","","","1.806","","","","has coordinates,has disorder","232360","2020-10-21","18:00:00",""
"4347520","31.837","0.008","31.837","0.008","62.41","0.02","90","","90","","120","","54783","3","100","2","100","2","","","","","","","","7","R -3 m :H","-R 3 2""","166","","","","- C150 H141 B6 Co6 N18 O41 Zn4 -","- C150 H141 B6 Co6 N18 O41 Zn4 -","- C900 H846 B36 Co36 N108 O246 Zn24 -","6","0.166667","","Marmier, Mathieu; Wise, Matthew D.; Holstein, Julian J.; Pattison, Philip; Schenk, Kurt; Solari, Euro; Scopelliti, Rosario; Severin, Kay","Carboxylic Acid Functionalized Clathrochelate Complexes: Large, Robust, and Easy-to-Access Metalloligands.","Inorganic chemistry","2016","55","8","4006","4015","10.1021/acs.inorgchem.6b00276","","","0.71073","MoKα","","0.1677","0.1038","","","0.2752","0.3461","","","","","","1.305","","","","has coordinates,has disorder","232361","2020-10-21","18:00:00",""
"4347521","25.183","0.01","24.173","0.006","19.292","0.006","90","","118.283","0.018","90","","10342","6","140","2","140","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C36 H41 B2 Fe N7 O11 Zn -","- C36 H41 B2 Fe N7 O11 Zn -","- C288 H328 B16 Fe8 N56 O88 Zn8 -","8","1","","Marmier, Mathieu; Wise, Matthew D.; Holstein, Julian J.; Pattison, Philip; Schenk, Kurt; Solari, Euro; Scopelliti, Rosario; Severin, Kay","Carboxylic Acid Functionalized Clathrochelate Complexes: Large, Robust, and Easy-to-Access Metalloligands.","Inorganic chemistry","2016","55","8","4006","4015","10.1021/acs.inorgchem.6b00276","","","0.71073","MoKα","","0.0873","0.0664","","","0.1852","0.2002","","","","","","0.979","","","","has coordinates","232362","2020-10-21","18:00:00",""
"4347522","19.95","0.004","22.639","0.005","10.833","0.002","90","","93.9","0.03","90","","4881.4","1.7","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C38 H52 B2 Fe N6 O13 S3 -","- C38 H52 B2 Fe N6 O13 S3 -","- C152 H208 B8 Fe4 N24 O52 S12 -","4","0.5","","Marmier, Mathieu; Wise, Matthew D.; Holstein, Julian J.; Pattison, Philip; Schenk, Kurt; Solari, Euro; Scopelliti, Rosario; Severin, Kay","Carboxylic Acid Functionalized Clathrochelate Complexes: Large, Robust, and Easy-to-Access Metalloligands.","Inorganic chemistry","2016","55","8","4006","4015","10.1021/acs.inorgchem.6b00276","","","0.71073","MoKα","","0.1105","0.0734","","","0.1617","0.1763","","","","","","1.153","","","","has coordinates,has disorder","232363","2020-10-21","18:00:00",""
"4347523","40.845","0.005","42.367","0.005","34.547","0.009","90","","115.816","0.011","90","","53816","17","100","2","100","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C121 H83 B4 Br4 N13 O34 S2 Zn8 -","- C121 H83 B4 Br4 N13 O34 S2 Zn8 -","- C968 H664 B32 Br32 N104 O272 S16 Zn64 -","8","1","","Marmier, Mathieu; Wise, Matthew D.; Holstein, Julian J.; Pattison, Philip; Schenk, Kurt; Solari, Euro; Scopelliti, Rosario; Severin, Kay","Carboxylic Acid Functionalized Clathrochelate Complexes: Large, Robust, and Easy-to-Access Metalloligands.","Inorganic chemistry","2016","55","8","4006","4015","10.1021/acs.inorgchem.6b00276","","","0.71073","MoKα","","0.1701","0.1071","","","0.3391","0.3958","","","","","","1.48","","","","has coordinates","232364","2020-10-21","18:00:00",""
"4347524","45.916","0.004","30.605","0.002","27.785","0.002","90","","100.851","0.008","90","","38347","5","100","2","100","2","","","","","","","","8","C 1 2/m 1","-C 2y","12","","","","- C114 H60 B6 Br9 Co6 N18 O40 Zn4 -","- C114 H60 B6 Br9 Co6 N18 O40 Zn4 -","- C456 H240 B24 Br36 Co24 N72 O160 Zn16 -","4","0.5","","Marmier, Mathieu; Wise, Matthew D.; Holstein, Julian J.; Pattison, Philip; Schenk, Kurt; Solari, Euro; Scopelliti, Rosario; Severin, Kay","Carboxylic Acid Functionalized Clathrochelate Complexes: Large, Robust, and Easy-to-Access Metalloligands.","Inorganic chemistry","2016","55","8","4006","4015","10.1021/acs.inorgchem.6b00276","","","0.69561","synchrotron","","0.1435","0.1124","","","0.3354","0.3563","","","","","","1.2","","","","has coordinates","232365","2020-10-21","18:00:00",""
"4347525","16.359","0.002","16.504","0.002","32.228","0.006","79.278","0.012","77.959","0.013","62.972","0.011","7539","2","120","2","120","2","","","","","","","","6","P 1","P 1","1","","","","- C61.5 H73 B2 Co2 N7 O13 -","- C61.5 H71 B2 Co2 N7 O13 -","- C246 H284 B8 Co8 N28 O52 -","4","4","","Marmier, Mathieu; Wise, Matthew D.; Holstein, Julian J.; Pattison, Philip; Schenk, Kurt; Solari, Euro; Scopelliti, Rosario; Severin, Kay","Carboxylic Acid Functionalized Clathrochelate Complexes: Large, Robust, and Easy-to-Access Metalloligands.","Inorganic chemistry","2016","55","8","4006","4015","10.1021/acs.inorgchem.6b00276","","","0.71073","MoKα","","0.1252","0.0953","","","0.2407","0.2661","","","","","","1.037","","","","has coordinates","232366","2020-10-21","18:00:00",""
"4347526","31.473","0.005","31.473","0.005","62.316","0.013","90","","90","","120","","53457","16","100","2","100","2","","","","","","","","7","R -3 :H","-R 3","148","","","","- C150 H141 B6 Co6 N18 O40 Zn4 -","- C150 H141 B6 Co6 N18 O40 Zn4 -","- C900 H846 B36 Co36 N108 O240 Zn24 -","6","0.333333","","Marmier, Mathieu; Wise, Matthew D.; Holstein, Julian J.; Pattison, Philip; Schenk, Kurt; Solari, Euro; Scopelliti, Rosario; Severin, Kay","Carboxylic Acid Functionalized Clathrochelate Complexes: Large, Robust, and Easy-to-Access Metalloligands.","Inorganic chemistry","2016","55","8","4006","4015","10.1021/acs.inorgchem.6b00276","","","0.69561","synchrotron","","0.1506","0.1386","","","0.4374","0.4473","","","","","","1.935","","","","has coordinates,has disorder","232367","2020-10-21","18:00:00",""
"4347527","29.382","0.006","6.574","0.0013","22.388","0.004","90","","112.35","0.03","90","","3999.5","1.6","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C19 H14 F3 N4 O4 Rh S -","- C19 H14 F3 N4 O4 Rh S -","- C152 H112 F24 N32 O32 Rh8 S8 -","8","2","","Chan, Alan Kwun-Wa; Wu, Di; Wong, Keith Man-Chung; Yam, Vivian Wing-Wah","Rhodium(I) Complexes of Tridentate N-Donor Ligands and Their Supramolecular Assembly Studies.","Inorganic chemistry","2016","55","7","3685","3691","10.1021/acs.inorgchem.6b00289","","","0.85","","","0.0956","0.0851","","","0.1797","0.1847","","","","","","1.09","","","","has coordinates","232368","2020-10-21","18:00:00",""
"4347528","7.353","0.0002","7.3876","0.0002","10.1154","0.0003","73.526","0.001","88.665","0.001","63.878","0.001","469.8","0.02","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C14 H18 Cu Mg N2 O14 -","- C14 H14 Cu Mg N2 O14 -","- C14 H14 Cu Mg N2 O14 -","1","0.5","","Saha, Debraj; Hazra, Dipak K.; Maity, Tanmoy; Koner, Subratanath","Heterometallic Metal-Organic Frameworks That Catalyze Two Different Reactions Sequentially.","Inorganic chemistry","2016","55","12","5729","5731","10.1021/acs.inorgchem.6b00292","","","0.71073","MoKα","","0.0279","0.0275","","","0.0835","0.0838","","","","","","1.158","","","","has coordinates","232369","2020-10-21","18:00:00",""
"4347529","4.9149","0.0006","15.297","0.002","9.5706","0.0012","90","","103.361","0.003","90","","700.07","0.15","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C14 H6 Ca Cu N2 O8 -","- C14 H6 Ca Cu N2 O8 -","- C28 H12 Ca2 Cu2 N4 O16 -","2","0.5","","Saha, Debraj; Hazra, Dipak K.; Maity, Tanmoy; Koner, Subratanath","Heterometallic Metal-Organic Frameworks That Catalyze Two Different Reactions Sequentially.","Inorganic chemistry","2016","55","12","5729","5731","10.1021/acs.inorgchem.6b00292","","","0.71073","MoKα","","0.0243","0.0238","","","0.0819","0.0825","","","","","","1.136","","","","has coordinates","232369","2020-10-21","18:00:00",""
"4347530","7.655","0.001","10.935","0.003","20.811","0.005","90","","95.48","0.002","90","","1734.1","0.7","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C14 H12 Cu N2 O11 Sr -","- C14 H6 Cu N2 O11 Sr -","- C56 H24 Cu4 N8 O44 Sr4 -","4","1","","Saha, Debraj; Hazra, Dipak K.; Maity, Tanmoy; Koner, Subratanath","Heterometallic Metal-Organic Frameworks That Catalyze Two Different Reactions Sequentially.","Inorganic chemistry","2016","55","12","5729","5731","10.1021/acs.inorgchem.6b00292","","","0.71073","MoKα","","0.0855","0.0735","","","0.2013","0.2183","","","","","","1.219","","","","has coordinates","232369","2020-10-21","18:00:00",""
"4347531","7.945","0.005","10.896","0.005","21.504","0.005","90","","92.786","0.005","90","","1859.4","1.5","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C14 H18 Ba Cu N2 O14 -","- C14 H6 Ba Cu N2 O14 -","- C56 H24 Ba4 Cu4 N8 O56 -","4","1","","Saha, Debraj; Hazra, Dipak K.; Maity, Tanmoy; Koner, Subratanath","Heterometallic Metal-Organic Frameworks That Catalyze Two Different Reactions Sequentially.","Inorganic chemistry","2016","55","12","5729","5731","10.1021/acs.inorgchem.6b00292","","","0.71073","MoKα","","0.0463","0.0431","","","0.1508","0.1609","","","","","","1.186","","","","has coordinates","232369","2020-10-21","18:00:00",""
"4347532","10.1116","0.0004","16.0288","0.0007","17.8163","0.0007","92.999","0.002","102.94","0.002","101.055","0.002","2748.3","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C102 H72 N10 Ni5 O24 -","- C102 H72 N10 Ni5 O24 -","- C102 H72 N10 Ni5 O24 -","1","0.5","","Deenadayalan, M. S.; Sharma, Nayuesh; Verma, Praveen Kumar; Nagaraja, C. M.","Visible-Light-Assisted Photocatalytic Reduction of Nitroaromatics by Recyclable Ni(II)-Porphyrin Metal-Organic Framework (MOF) at RT.","Inorganic chemistry","2016","55","11","5320","5327","10.1021/acs.inorgchem.6b00296","","","0.71073","MoKα","","0.1024","0.0712","","","0.213","0.2279","","","","","","1.048","","","","has coordinates","232370","2020-10-21","18:00:00",""
"4347533","10.7727","0.0014","15.957","0.002","22.198","0.003","104.432","0.002","103.301","0.002","93.023","0.002","3571.7","0.8","173.15","","173.15","","","","","","","","","8","P -1","-P 1","2","","","","- C66 H70 Cl2 F14 N14 O8 P2 Ru -","- C66 H70 Cl2 F14 N14 O8 P2 Ru -","- C132 H140 Cl4 F28 N28 O16 P4 Ru2 -","2","1","","Du, Jun; Kang, Yan; Zhao, Yao; Zheng, Wei; Zhang, Yang; Lin, Yu; Wang, Zhaoying; Wang, Yuanyuan; Luo, Qun; Wu, Kui; Wang, Fuyi","Synthesis, Characterization, and in Vitro Antitumor Activity of Ruthenium(II) Polypyridyl Complexes Tethering EGFR-Inhibiting 4-Anilinoquinazolines.","Inorganic chemistry","2016","55","9","4595","4605","10.1021/acs.inorgchem.6b00309","","","0.71073","MoKα","","0.0905","0.0743","","","0.1456","0.1562","","","","","","1.103","","","","has coordinates","232371","2020-10-21","18:00:00",""
"4347534","14.083","0.003","23.097","0.005","16.129","0.003","90","","98.31","0.003","90","","5191.3","1.8","150","2","150","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C47 H59 B2 F8 Fe2 N11 O2 S -","- C47 H59 B2 F8 Fe2 N11 O2 S -","- C188 H236 B8 F32 Fe8 N44 O8 S4 -","4","1","","Pal, Nabhendu; Majumdar, Amit","Controlling the Reactivity of Bifunctional Ligands: Carboxylate-Bridged Nonheme Diiron(II) Complexes Bearing Free Thiol Groups.","Inorganic chemistry","2016","55","6","3181","3191","10.1021/acs.inorgchem.6b00316","","x-ray","0.71073","MoKα","","0.1979","0.1121","","","0.3192","0.379","","","","","","1.133","","","","has coordinates,has disorder","232372","2020-10-21","18:00:00",""
"4347535","14.245","0.003","22.076","0.005","15.843","0.004","90","","98.005","0.003","90","","4934","2","150","2","150","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C45 H54 B2 F8 Fe2 N10 O S -","- C45 H54 B2 F8 Fe2 N10 O S -","- C180 H216 B8 F32 Fe8 N40 O4 S4 -","4","1","","Pal, Nabhendu; Majumdar, Amit","Controlling the Reactivity of Bifunctional Ligands: Carboxylate-Bridged Nonheme Diiron(II) Complexes Bearing Free Thiol Groups.","Inorganic chemistry","2016","55","6","3181","3191","10.1021/acs.inorgchem.6b00316","","x-ray","0.71073","MoKα","","0.1001","0.0748","","","0.1897","0.2086","","","","","","1.026","","","","has coordinates,has disorder","232372","2020-10-21","18:00:00",""
"4347536","13.243","0.007","15.246","0.009","16.716","0.009","112.044","0.013","92.36","0.013","99.652","0.013","3064","3","150","2","150","2","","","","","","","","8","P -1","-P 1","2","","","","- C50 H65 B2 F8 Fe2 N11 O2 S -","- C50 H65 B2 F8 Fe2 N11 O2 S -","- C100 H130 B4 F16 Fe4 N22 O4 S2 -","2","1","","Pal, Nabhendu; Majumdar, Amit","Controlling the Reactivity of Bifunctional Ligands: Carboxylate-Bridged Nonheme Diiron(II) Complexes Bearing Free Thiol Groups.","Inorganic chemistry","2016","55","6","3181","3191","10.1021/acs.inorgchem.6b00316","","x-ray","0.71073","MoKα","","0.1069","0.0796","","","0.208","0.2223","","","","","","1.093","","","","has coordinates,has disorder","232372","2020-10-21","18:00:00",""
"4347537","15.0909","0.0011","22.8058","0.0018","18.7389","0.0014","90","","97.948","0.002","90","","6387.2","0.8","150","2","150","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C52 H61 B2 F8 Fe2 N11 O2 S -","- C52 H61 B2 F8 Fe2 N11 O2 S -","- C208 H244 B8 F32 Fe8 N44 O8 S4 -","4","1","","Pal, Nabhendu; Majumdar, Amit","Controlling the Reactivity of Bifunctional Ligands: Carboxylate-Bridged Nonheme Diiron(II) Complexes Bearing Free Thiol Groups.","Inorganic chemistry","2016","55","6","3181","3191","10.1021/acs.inorgchem.6b00316","","x-ray","0.71073","MoKα","","0.1695","0.0924","","","0.2503","0.2896","","","","","","0.991","","","","has coordinates,has disorder","232372","2020-10-21","18:00:00",""
"4347538","28.622","0.004","15.157","0.002","29.712","0.004","90","","111.377","0.003","90","","12003","3","150","2","150","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C50 H54 B2 F8 Fe2 N10 O3 S -","- C50 H54 B2 F8 Fe2 N10 O3 S -","- C400 H432 B16 F64 Fe16 N80 O24 S8 -","8","1","","Pal, Nabhendu; Majumdar, Amit","Controlling the Reactivity of Bifunctional Ligands: Carboxylate-Bridged Nonheme Diiron(II) Complexes Bearing Free Thiol Groups.","Inorganic chemistry","2016","55","6","3181","3191","10.1021/acs.inorgchem.6b00316","","x-ray","0.71073","MoKα","","0.2172","0.1072","","","0.2486","0.2854","","","","","","1.009","","","","has coordinates,has disorder","232372","2020-10-21","18:00:00",""
"4347539","13.9029","0.0014","22.561","0.002","15.73","0.0016","90","","96.023","0.003","90","","4906.7","0.8","150","2","150","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C46 H54 B2 F8 Fe2 N10 O3 S -","- C46 H54 B2 F8 Fe2 N10 O3 S -","- C184 H216 B8 F32 Fe8 N40 O12 S4 -","4","1","","Pal, Nabhendu; Majumdar, Amit","Controlling the Reactivity of Bifunctional Ligands: Carboxylate-Bridged Nonheme Diiron(II) Complexes Bearing Free Thiol Groups.","Inorganic chemistry","2016","55","6","3181","3191","10.1021/acs.inorgchem.6b00316","","x-ray","0.71073","MoKα","","0.1079","0.0745","","","0.1811","0.2007","","","","","","1.048","","","","has coordinates,has disorder","232372","2020-10-21","18:00:00",""
"4347540","13.068","0.002","13.342","0.002","17.83","0.003","104.02","0.005","93.043","0.004","106.951","0.004","2859.3","0.8","150","2","150","2","","","","","","","","8","P -1","-P 1","2","","","","- C51 H64 B2 F8 Fe2 N10 O3 S -","- C51 H64 B2 F8 Fe2 N10 O3 S -","- C102 H128 B4 F16 Fe4 N20 O6 S2 -","2","1","","Pal, Nabhendu; Majumdar, Amit","Controlling the Reactivity of Bifunctional Ligands: Carboxylate-Bridged Nonheme Diiron(II) Complexes Bearing Free Thiol Groups.","Inorganic chemistry","2016","55","6","3181","3191","10.1021/acs.inorgchem.6b00316","","x-ray","0.71073","MoKα","","0.1637","0.0792","","","0.1898","0.2272","","","","","","0.979","","","","has coordinates,has disorder","232372","2020-10-21","18:00:00",""
"4347541","13.7884","0.001","22.7777","0.0017","15.8097","0.0012","90","","97.04","0.002","90","","4927.9","0.6","150","2","150","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C47 H56 B2 F8 Fe2 N10 O4 -","- C47 H56 B2 F8 Fe2 N10 O4 -","- C188 H224 B8 F32 Fe8 N40 O16 -","4","1","","Pal, Nabhendu; Majumdar, Amit","Controlling the Reactivity of Bifunctional Ligands: Carboxylate-Bridged Nonheme Diiron(II) Complexes Bearing Free Thiol Groups.","Inorganic chemistry","2016","55","6","3181","3191","10.1021/acs.inorgchem.6b00316","","x-ray","0.71073","MoKα","","0.1704","0.0832","","","0.1762","0.2172","","","","","","1.02","","","","has coordinates,has disorder","232372","2020-10-21","18:00:00",""
"4347542","9.205","0.006","16.268","0.011","25.917","0.018","90","","96.525","0.011","90","","3856","5","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C43 H50 N10 O -","- C43 H50 N10 O -","- C172 H200 N40 O4 -","4","1","","Pal, Nabhendu; Majumdar, Amit","Controlling the Reactivity of Bifunctional Ligands: Carboxylate-Bridged Nonheme Diiron(II) Complexes Bearing Free Thiol Groups.","Inorganic chemistry","2016","55","6","3181","3191","10.1021/acs.inorgchem.6b00316","","x-ray","0.71073","MoKα","","0.1432","0.0704","","","0.1777","0.2143","","","","","","1.049","","","","has coordinates,has disorder","232372","2020-10-21","18:00:00",""
"4347543","12.779","0.005","15.586","0.007","17.908","0.008","78.693","0.006","86.825","0.005","68.87","0.005","3262","2","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C55 H77 B3 F12 Fe2 N14 O5 -","- C55 H77 B3 F12 Fe2 N14 O5 -","- C110 H154 B6 F24 Fe4 N28 O10 -","2","1","","Pal, Nabhendu; Majumdar, Amit","Controlling the Reactivity of Bifunctional Ligands: Carboxylate-Bridged Nonheme Diiron(II) Complexes Bearing Free Thiol Groups.","Inorganic chemistry","2016","55","6","3181","3191","10.1021/acs.inorgchem.6b00316","","x-ray","0.71073","MoKα","","0.1922","0.0919","","","0.2275","0.2901","","","","","","1.03","","","","has coordinates,has disorder","232372","2020-10-21","18:00:00",""
"4347544","13.8358","0.0013","22.191","0.002","15.5526","0.0015","90","","94.497","0.002","90","","4760.4","0.8","150","2","150","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C45 H52 B2 F8 Fe2 N10 O3 -","- C45 H52 B2 F8 Fe2 N10 O3 -","- C180 H208 B8 F32 Fe8 N40 O12 -","4","1","","Pal, Nabhendu; Majumdar, Amit","Controlling the Reactivity of Bifunctional Ligands: Carboxylate-Bridged Nonheme Diiron(II) Complexes Bearing Free Thiol Groups.","Inorganic chemistry","2016","55","6","3181","3191","10.1021/acs.inorgchem.6b00316","","x-ray","0.71073","MoKα","","0.0866","0.0728","","","0.1706","0.179","","","","","","1.092","","","","has coordinates,has disorder","232372","2020-10-21","18:00:00",""
"4347545","11.6922","0.0007","11.6922","0.0007","11.6922","0.0007","90","","90","","90","","1598.41","0.17","150","2","150","2","","","","","","","","6","P 21 3","P 2ac 2ab 3","198","","","","- C11 H24 B Cu F4 N4 -","- C11 H23.9997 B Cu F4 N4 -","- C44 H95.9988 B4 Cu4 F16 N16 -","4","0.333333","","Pal, Nabhendu; Majumdar, Amit","Controlling the Reactivity of Bifunctional Ligands: Carboxylate-Bridged Nonheme Diiron(II) Complexes Bearing Free Thiol Groups.","Inorganic chemistry","2016","55","6","3181","3191","10.1021/acs.inorgchem.6b00316","","x-ray","0.71073","MoKα","","0.0194","0.0179","","","0.045","0.0455","","","","","","1.087","","","","has coordinates,has disorder","232372","2020-10-21","18:00:00",""
"4347546","19.377","0.005","16.277","0.004","10.72","0.003","90","","101.384","0.005","90","","3314.6","1.5","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","{[Zn2(btec)(btzmb)].8H2O}n","","","- C24 H30 N10 O16 Zn2 -","- C24 H14 N10 O14 Zn2 -","- C96 H56 N40 O56 Zn8 -","4","1","","Zhao, Ya-Ping; Li, Yan; Cui, Cai-Yan; Xiao, Yu; Li, Rong; Wang, Shuai-Hua; Zheng, Fa-Kun; Guo, Guo-Cong","Tetrazole-Viologen-based Flexible Microporous Metal-Organic Framework with High CO2 Selective Uptake.","Inorganic chemistry","2016","55","15","7335","7340","10.1021/acs.inorgchem.6b00320","","","0.71073","MoKα","","0.055","0.0447","","","0.1505","0.1559","","","","","","1.091","","","","has coordinates","232373","2020-10-21","18:00:00",""
"4347547","30.285","0.003","26.445","0.002","17.9449","0.0013","90","","93.729","0.002","90","","14341","2","296","2","296.15","","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C138 H170 F12 Mo4 N2 O30 P8 S4 -","- C138 H170 F12 Mo4 N2 O30 P8 S4 -","- C552 H680 F48 Mo16 N8 O120 P32 S16 -","4","1","","Henthorn, Justin T.; Agapie, Theodor","Modulation of Proton-Coupled Electron Transfer through Molybdenum-Quinonoid Interactions.","Inorganic chemistry","2016","55","11","5337","5342","10.1021/acs.inorgchem.6b00331","","","0.71073","MoKα","","0.1027","0.0609","","","0.1226","0.1369","","","","","","1.079","","","","has coordinates,has disorder","232374","2020-10-21","18:00:00",""
"4347548","10.0048","0.0005","27.6677","0.0016","19.3057","0.0011","90","","94.925","0.003","90","","5324.3","0.5","296","2","296.15","","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C39 H50 F12 Mo N4 O3 P2 Sb2 -","- C39 H50 F12 Mo N4 O3 P2 Sb2 -","- C156 H200 F48 Mo4 N16 O12 P8 Sb8 -","4","1","","Henthorn, Justin T.; Agapie, Theodor","Modulation of Proton-Coupled Electron Transfer through Molybdenum-Quinonoid Interactions.","Inorganic chemistry","2016","55","11","5337","5342","10.1021/acs.inorgchem.6b00331","","","0.71073","MoKα","","0.0523","0.0409","","","0.1434","0.1502","","","","","","1.132","","","","has coordinates","232374","2020-10-21","18:00:00",""
"4347549","11.3464","0.0004","21.2519","0.0008","17.4117","0.0007","90","","94.171","0.001","90","","4187.4","0.3","100","2","99.97","","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C37 H44 F6 Mo N2 O9 P2 S2 -","- C37 H44 F6 Mo N2 O9 P2 S2 -","- C148 H176 F24 Mo4 N8 O36 P8 S8 -","4","1","","Henthorn, Justin T.; Agapie, Theodor","Modulation of Proton-Coupled Electron Transfer through Molybdenum-Quinonoid Interactions.","Inorganic chemistry","2016","55","11","5337","5342","10.1021/acs.inorgchem.6b00331","","","0.71073","MoKα","","0.0495","0.0317","","","0.0958","0.1212","","","","","","0.592","","","","has coordinates","232374","2020-10-21","18:00:00",""
"4347550","16.255","","16.2548","0.001","22.2047","0.0015","90","","90","","90","","5867","0.5","100","2","100.02","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C31 H38 Cl2 Mo O3 P2 -","- C31 H38 Cl2 Mo O3 P2 -","- C248 H304 Cl16 Mo8 O24 P16 -","8","1","","Henthorn, Justin T.; Agapie, Theodor","Modulation of Proton-Coupled Electron Transfer through Molybdenum-Quinonoid Interactions.","Inorganic chemistry","2016","55","11","5337","5342","10.1021/acs.inorgchem.6b00331","","","0.71073","MoKα","","0.0634","0.0338","","","0.0805","0.0868","","","","","","0.954","","","","has coordinates","232374","2020-10-21","18:00:00",""
"4347551","14.0785","0.0008","14.2423","0.0008","27.2243","0.0013","76.5","0.002","88.452","0.002","74.831","0.002","5119.6","0.5","293","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C104 H81.4 N8 Ni4 O14.43 S8 -","- C104 H78 N8 Ni4 O14.444 S8 -","- C208 H156 N16 Ni8 O28.888 S16 -","2","1","","Raj, Pushap; Singh, Amanpreet; Kaur, Kamalpreet; Aree, Thammarat; Singh, Ajnesh; Singh, Narinder","Fluorescent Chemosensors for Selective and Sensitive Detection of Phosmet/Chlorpyrifos with Octahedral Ni(2+) Complexes.","Inorganic chemistry","2016","55","10","4874","4883","10.1021/acs.inorgchem.6b00332","","","0.71073","MoKα","","0.1424","0.0567","","","0.0973","0.1124","","","","","","0.971","","","","has coordinates,has disorder","232375","2020-10-21","18:00:00",""
"4347552","13.7815","0.0017","13.8543","0.0018","27.356","0.004","90","","97.566","0.004","90","","5177.7","1.2","290","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C26 H20 N4 Ni O8 S2 -","- C26 H18 N4 Ni O8 S2 -","- C208 H144 N32 Ni8 O64 S16 -","8","2","","Raj, Pushap; Singh, Amanpreet; Kaur, Kamalpreet; Aree, Thammarat; Singh, Ajnesh; Singh, Narinder","Fluorescent Chemosensors for Selective and Sensitive Detection of Phosmet/Chlorpyrifos with Octahedral Ni(2+) Complexes.","Inorganic chemistry","2016","55","10","4874","4883","10.1021/acs.inorgchem.6b00332","","","0.71073","MoKα","","0.1461","0.0772","","","0.1411","0.1572","","","","","","1.025","","","","has coordinates,has disorder","232376","2020-10-21","18:00:00",""
"4347553","10.293","0.005","16.785","0.005","11.494","0.005","90","","109.527","0.005","90","","1871.6","1.3","120","2","120","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C36 H30 I4 O2 P2 Sn -","- C36 H30 I4 O2 P2 Sn -","- C72 H60 I8 O4 P4 Sn2 -","2","1","","Wlaźlak, Ewelina; Macyk, Wojciech; Nitek, Wojciech; Szaciłowski, Konrad","Influence of π-Iodide Intermolecular Interactions on Electronic Properties of Tin(IV) Iodide Semiconducting Complexes.","Inorganic chemistry","2016","55","12","5935","5945","10.1021/acs.inorgchem.6b00336","","","0.71069","MoKα","","0.0294","0.0249","","","0.0398","0.0418","","","","","","1.016","","","","has coordinates","232377","2020-10-21","18:00:00",""
"4347554","7.393","0.005","7.96","0.005","17.606","0.005","97.297","0.005","94.306","0.005","117.289","0.005","902.8","0.9","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","","","- C10 H10 I4 N2 O2 Sn -","- C10 H10 I4 N2 O2 Sn -","- C20 H20 I8 N4 O4 Sn2 -","2","1","","Wlaźlak, Ewelina; Macyk, Wojciech; Nitek, Wojciech; Szaciłowski, Konrad","Influence of π-Iodide Intermolecular Interactions on Electronic Properties of Tin(IV) Iodide Semiconducting Complexes.","Inorganic chemistry","2016","55","12","5935","5945","10.1021/acs.inorgchem.6b00336","","x-ray","0.71069","MoKα","","0.044","0.0301","","","0.0513","0.058","","","","","","1.023","","","","has coordinates","232378","2020-10-21","18:00:00",""
"4347555","21.11","0.0001","9.056","0.0002","15.313","0.0002","90","","90","","90","","2927.42","0.08","100","2","100","2","","","","","","","","6","P n a 21","P 2c -2n","33","Compound X","","","- C24 H20 I4 O2 S2 Sn -","- C24 H20 I4 O2 S2 Sn -","- C96 H80 I16 O8 S8 Sn4 -","4","1","","Wlaźlak, Ewelina; Macyk, Wojciech; Nitek, Wojciech; Szaciłowski, Konrad","Influence of π-Iodide Intermolecular Interactions on Electronic Properties of Tin(IV) Iodide Semiconducting Complexes.","Inorganic chemistry","2016","55","12","5935","5945","10.1021/acs.inorgchem.6b00336","","","0.71073","MoKα","","0.0372","0.0366","","","0.0963","0.0971","","","","97.481","97.481","1.065","","","","has coordinates","232379","2020-10-21","18:00:00",""
"4347556","12.7319","0.0006","9.7137","0.0005","16.9532","0.0008","90","","94.6924","0.001","90","","2089.64","0.18","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","Plutonium(IV) Formohydroxamate","","","- C8 H16 N8 O16 Pu2 -","- C8 H16 N8 O16 Pu2 -","- C32 H64 N32 O64 Pu8 -","4","0.5","","Silver, Mark A.; Cary, Samantha K.; Stritzinger, Jared T.; Parker, T. Gannon; Maron, Laurent; Albrecht-Schmitt, Thomas E","Covalency-Driven Dimerization of Plutonium(IV) in a Hydroxamate Complex.","Inorganic chemistry","2016","55","11","5092","5094","10.1021/acs.inorgchem.6b00340","","","0.71073","MoKα","","0.021","0.0165","","","0.0354","0.0364","","","","","","1.085","","","","has coordinates","232380","2020-10-21","18:00:00",""
"4347557","5.7104","0.0007","7.3062","0.0008","8.2087","0.0012","109.754","0.015","101.386","0.016","97.169","0.014","309.1","0.08","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C10 H10 F6 N2 O2 -","- C10 H10 F6 N2 O2 -","- C10 H10 F6 N2 O2 -","1","0.5","","Schläfer, J; Graf, D.; Fornalczyk, G.; Mettenbörger, A; Mathur, S.","Fluorinated Cerium(IV) Enaminolates: Alternative Precursors for Chemical Vapor Deposition of CeO2 Thin Films.","Inorganic chemistry","2016","55","11","5422","5429","10.1021/acs.inorgchem.6b00348","","","0.71073","MoKα","","0.0611","0.0419","","","0.1056","0.112","","","","","","0.992","","","","has coordinates","232381","2020-10-21","18:00:00",""
"4347558","13.329","0.004","6.542","0.005","17.975","0.006","90","","94.41","0.04","90","","1562.7","1.4","170","2","170","2","","","","","","","","5","I 1 2/c 1","-I 2yc","15","","","","- C12 H10 F10 N2 O2 -","- C12 H10 F10 N2 O2 -","- C48 H40 F40 N8 O8 -","4","0.5","","Schläfer, J; Graf, D.; Fornalczyk, G.; Mettenbörger, A; Mathur, S.","Fluorinated Cerium(IV) Enaminolates: Alternative Precursors for Chemical Vapor Deposition of CeO2 Thin Films.","Inorganic chemistry","2016","55","11","5422","5429","10.1021/acs.inorgchem.6b00348","","","0.71073","MoKα","","0.044","0.0349","","","0.0878","0.0946","","","","","","1.066","","","","has coordinates","232381","2020-10-21","18:00:00",""
"4347559","11.343","0.005","13.833","0.005","9.061","0.005","90","","110.025","0.005","90","","1335.8","1.1","293","2","293","2","","","","","","","","6","P 1 c 1","P -2yc","7","","","","- C20 H16 Ce F12 N4 O4 -","- C20 H16 Ce F12 N4 O4 -","- C40 H32 Ce2 F24 N8 O8 -","2","1","","Schläfer, J; Graf, D.; Fornalczyk, G.; Mettenbörger, A; Mathur, S.","Fluorinated Cerium(IV) Enaminolates: Alternative Precursors for Chemical Vapor Deposition of CeO2 Thin Films.","Inorganic chemistry","2016","55","11","5422","5429","10.1021/acs.inorgchem.6b00348","","","0.71073","MoKα","","0.0775","0.0708","","","0.175","0.1819","","","","","","0.993","","","","has coordinates","232381","2020-10-21","18:00:00",""
"4347560","15.814","0.005","10.652","0.005","19.012","0.005","90","0.005","91.656","0.005","90","0.005","3201","2","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C24 H16 Ce F20 N4 O4 -","- C24 H16 Ce F20 N4 O4 -","- C96 H64 Ce4 F80 N16 O16 -","4","1","","Schläfer, J; Graf, D.; Fornalczyk, G.; Mettenbörger, A; Mathur, S.","Fluorinated Cerium(IV) Enaminolates: Alternative Precursors for Chemical Vapor Deposition of CeO2 Thin Films.","Inorganic chemistry","2016","55","11","5422","5429","10.1021/acs.inorgchem.6b00348","","","0.71073","MoKα","","0.046","0.0361","","","0.0913","0.1014","","","","","","1.046","","","","has coordinates","232381","2020-10-21","18:00:00",""
"4347561","10.05","0.005","13.882","0.005","14.422","0.005","102.131","0.005","107.985","0.005","90.183","0.005","1866","1.3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C28 H16 Ce F28 N4 O4 -","- C28 H16 Ce F28 N4 O4 -","- C56 H32 Ce2 F56 N8 O8 -","2","1","","Schläfer, J; Graf, D.; Fornalczyk, G.; Mettenbörger, A; Mathur, S.","Fluorinated Cerium(IV) Enaminolates: Alternative Precursors for Chemical Vapor Deposition of CeO2 Thin Films.","Inorganic chemistry","2016","55","11","5422","5429","10.1021/acs.inorgchem.6b00348","","","0.71073","MoKα","","0.0426","0.0317","","","0.0757","0.0861","","","","","","1.088","","","","has coordinates","232381","2020-10-21","18:00:00",""
"4347562","15.2366","0.001","15.2366","0.001","16.4081","0.0011","90","","90","","120","","3298.9","0.4","100","2","100","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- C18 H24 Ge Si4 -","- C18 H24 Ge Si4 -","- C108 H144 Ge6 Si24 -","6","0.333333","","Stueger, Harald; Christopoulos, Viktor; Temmel, Andrea; Haas, Michael; Fischer, Roland; Torvisco, Ana; Wunnicke, Odo; Traut, Stephan; Martens, Susanne","Selective Synthesis and Derivatization of Germasilicon Hydrides.","Inorganic chemistry","2016","55","8","4034","4038","10.1021/acs.inorgchem.6b00349","","","0.71073","MoKα","","0.0357","0.0265","","","0.0592","0.0633","","","","","","1.002","","","","has coordinates","232382","2020-10-21","18:00:00",""
"4347563","20.0813","0.0008","10.3595","0.0004","18.0204","0.0007","90","","112.296","0.001","90","","3468.5","0.2","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C36 H36 Ge2 Si3 -","- C36 H36 Ge2 Si3 -","- C144 H144 Ge8 Si12 -","4","1","","Stueger, Harald; Christopoulos, Viktor; Temmel, Andrea; Haas, Michael; Fischer, Roland; Torvisco, Ana; Wunnicke, Odo; Traut, Stephan; Martens, Susanne","Selective Synthesis and Derivatization of Germasilicon Hydrides.","Inorganic chemistry","2016","55","8","4034","4038","10.1021/acs.inorgchem.6b00349","","","0.71073","MoKα","","0.0423","0.0333","","","0.0804","0.0847","","","","","","1.067","","","","has coordinates","232382","2020-10-21","18:00:00",""
"4347564","9.045","0.003","9.259","0.003","11.537","0.003","105.222","0.003","96.81","0.003","114.703","0.0018","817.7","0.4","173","","173","","","","","","","","","6","P -1","-P 1","2","","","","- C22 H46 Fe2 N4 S2 Si4 -","- C22 H46 Fe2 N4 S2 Si4 -","- C22 H46 Fe2 N4 S2 Si4 -","1","0.5","","Tanifuji, Kazuki; Tajima, Shunichi; Ohki, Yasuhiro; Tatsumi, Kazuyuki","Interconversion between [Fe4S4] and [Fe2S2] Clusters Bearing Amide Ligands.","Inorganic chemistry","2016","55","9","4512","4518","10.1021/acs.inorgchem.6b00352","","","0.71075","MoKα","","","0.0269","","","","0.0723","","","","","","1.056","","","","has coordinates","232383","2020-10-21","18:00:00",""
"4347565","22.876","0.007","11.048","0.003","14.488","0.004","90","","92.495","0.004","90","","3658.1","1.8","173","","173","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C24 H50 Fe2 N4 O2 S2 Si4 -","- C24 H50 Fe2 N4 O2 S2 Si4 -","- C96 H200 Fe8 N16 O8 S8 Si16 -","4","0.5","","Tanifuji, Kazuki; Tajima, Shunichi; Ohki, Yasuhiro; Tatsumi, Kazuyuki","Interconversion between [Fe4S4] and [Fe2S2] Clusters Bearing Amide Ligands.","Inorganic chemistry","2016","55","9","4512","4518","10.1021/acs.inorgchem.6b00352","","","0.71075","MoKα","","","0.0408","","","","0.1075","","","","","","1.119","","","","has coordinates","232383","2020-10-21","18:00:00",""
"4347566","9.016","0.005","9.904","0.006","12.038","0.007","108.444","0.004","99.449","0.003","109.722","0.007","914.6","0.9","173","","173","","","","","","","","","6","P -1","-P 1","2","","","","- C24 H50 Fe2 N4 S2 Si4 -","- C24 H50 Fe2 N4 S2 Si4 -","- C24 H50 Fe2 N4 S2 Si4 -","1","0.5","","Tanifuji, Kazuki; Tajima, Shunichi; Ohki, Yasuhiro; Tatsumi, Kazuyuki","Interconversion between [Fe4S4] and [Fe2S2] Clusters Bearing Amide Ligands.","Inorganic chemistry","2016","55","9","4512","4518","10.1021/acs.inorgchem.6b00352","","","0.71075","MoKα","","","0.0402","","","","0.1148","","","","","","1.027","","","","has coordinates","232383","2020-10-21","18:00:00",""
"4347567","22.728","0.005","12.711","0.003","13.008","0.003","90","","91.283","0.004","90","","3757","1.5","173","","173","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C24 H44 F6 Fe2 N4 S2 Si4 -","- C24 H44 F6 Fe2 N4 S2 Si4 -","- C96 H176 F24 Fe8 N16 S8 Si16 -","4","1","","Tanifuji, Kazuki; Tajima, Shunichi; Ohki, Yasuhiro; Tatsumi, Kazuyuki","Interconversion between [Fe4S4] and [Fe2S2] Clusters Bearing Amide Ligands.","Inorganic chemistry","2016","55","9","4512","4518","10.1021/acs.inorgchem.6b00352","","","0.71075","MoKα","","","0.0488","","","","0.1504","","","","","","1.009","","","","has coordinates","232383","2020-10-21","18:00:00",""
"4347568","8.918","0.003","9.868","0.004","12.062","0.005","108.984","0.0018","94.95","0.004","115.36","0.003","874.8","0.6","173","","173","","","","","","","","","6","P -1","-P 1","2","","","","- C24 H50 Fe2 N4 S2 Si4 -","- C24 H50 Fe2 N4 S2 Si4 -","- C24 H50 Fe2 N4 S2 Si4 -","1","0.5","","Tanifuji, Kazuki; Tajima, Shunichi; Ohki, Yasuhiro; Tatsumi, Kazuyuki","Interconversion between [Fe4S4] and [Fe2S2] Clusters Bearing Amide Ligands.","Inorganic chemistry","2016","55","9","4512","4518","10.1021/acs.inorgchem.6b00352","","","0.71075","MoKα","","","0.0328","","","","0.0936","","","","","","1.065","","","","has coordinates","232383","2020-10-21","18:00:00",""
"4347569","8.713","0.006","8.79","0.007","12.777","0.008","103.212","0.01","93.832","0.009","110.486","0.007","880.8","1.1","173","","173","","","","","","","","","7","P -1","-P 1","2","","","","- C22 H44 Br2 Fe2 N4 S2 Si4 -","- C22 H44 Br2 Fe2 N4 S2 Si4 -","- C22 H44 Br2 Fe2 N4 S2 Si4 -","1","0.5","","Tanifuji, Kazuki; Tajima, Shunichi; Ohki, Yasuhiro; Tatsumi, Kazuyuki","Interconversion between [Fe4S4] and [Fe2S2] Clusters Bearing Amide Ligands.","Inorganic chemistry","2016","55","9","4512","4518","10.1021/acs.inorgchem.6b00352","","","0.71075","MoKα","","","0.0388","","","","0.1039","","","","","","1.023","","","","has coordinates","232383","2020-10-21","18:00:00",""
"4347570","14.492","0.002","17.789","0.003","23.398","0.004","90","","90","","90","","6032","1.7","173","","173","","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C33.3 H77 Fe4 N5.3 Na O0.7 S4 Si8 -","- C33.3 H77 Fe4 N5.3 Na O0.7 S4 Si8 -","- C133.2 H308 Fe16 N21.2 Na4 O2.8 S16 Si32 -","4","1","","Tanifuji, Kazuki; Tajima, Shunichi; Ohki, Yasuhiro; Tatsumi, Kazuyuki","Interconversion between [Fe4S4] and [Fe2S2] Clusters Bearing Amide Ligands.","Inorganic chemistry","2016","55","9","4512","4518","10.1021/acs.inorgchem.6b00352","","","0.71075","MoKα","","","0.0645","","","","0.186","","","","","","0.989","","","","has coordinates","232383","2020-10-21","18:00:00",""
"4347571","12.371","0.003","24.482","0.005","23.672","0.004","90","","104.827","0.003","90","","6931","2","173","","173","","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C42 H76 Fe4 N6 Na2 O2 S4 Si8 -","- C42 H76 Fe4 N6 Na2 O2 S4 Si8 -","- C168 H304 Fe16 N24 Na8 O8 S16 Si32 -","4","1","","Tanifuji, Kazuki; Tajima, Shunichi; Ohki, Yasuhiro; Tatsumi, Kazuyuki","Interconversion between [Fe4S4] and [Fe2S2] Clusters Bearing Amide Ligands.","Inorganic chemistry","2016","55","9","4512","4518","10.1021/acs.inorgchem.6b00352","","","0.71075","MoKα","","","0.066","","","","0.2005","","","","","","1.069","","","","has coordinates","232383","2020-10-21","18:00:00",""
"4347572","10.224","0.002","13.229","0.003","16.189","0.004","90","","103.301","0.003","90","","2130.9","0.8","173","","173","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C23 H5 B F15 N -","- C23 H5 B F15 N -","- C92 H20 B4 F60 N4 -","4","1","","Tanifuji, Kazuki; Tajima, Shunichi; Ohki, Yasuhiro; Tatsumi, Kazuyuki","Interconversion between [Fe4S4] and [Fe2S2] Clusters Bearing Amide Ligands.","Inorganic chemistry","2016","55","9","4512","4518","10.1021/acs.inorgchem.6b00352","","","0.71075","MoKα","","","0.0414","","","","0.1229","","","","","","0.89","","","","has coordinates","232383","2020-10-21","18:00:00",""
"4347573","7.609","0.003","8.283","0.003","13.493","0.007","75.61","0.02","89.52","0.03","63.74","0.02","733.6","0.6","200","2","200","2","","","","","","","","6","P -1","-P 1","2","","","","- C12 H8 Br2 Fe N5 S -","- C12 H8 Br2 Fe N5 S -","- C24 H16 Br4 Fe2 N10 S2 -","2","1","","Harriman, Katie L. M.; Kühne, Irina A; Leitch, Alicea A.; Korobkov, Ilia; Clérac, Rodolphe; Murugesu, Muralee; Brusso, Jaclyn L.","Halide Influence on Molecular and Supramolecular Arrangements of Iron Complexes with a 3,5-Bis(2-Pyridyl)-1,2,4,6-Thiatriazine Ligand.","Inorganic chemistry","2016","55","11","5375","5383","10.1021/acs.inorgchem.6b00357","","","0.71073","MoKα","","0.1721","0.1171","","","0.2643","0.2985","","","","","","1.09","","","","has coordinates","232384","2020-10-21","18:00:00",""
"4347574","13.8328","0.0013","13.7235","0.0014","7.5214","0.0007","90","","104.868","0.005","90","","1380","0.2","200","2","200","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C12 H8 F2 Fe N5 O S -","- C12 H8 F2 Fe N5 O S -","- C48 H32 F8 Fe4 N20 O4 S4 -","4","1","","Harriman, Katie L. M.; Kühne, Irina A; Leitch, Alicea A.; Korobkov, Ilia; Clérac, Rodolphe; Murugesu, Muralee; Brusso, Jaclyn L.","Halide Influence on Molecular and Supramolecular Arrangements of Iron Complexes with a 3,5-Bis(2-Pyridyl)-1,2,4,6-Thiatriazine Ligand.","Inorganic chemistry","2016","55","11","5375","5383","10.1021/acs.inorgchem.6b00357","","","0.71073","MoKα","","0.1327","0.078","","","0.1877","0.2158","","","","","","1.088","","","","has coordinates","232385","2020-10-21","18:00:00",""
"4347575","21.841","0.002","12.0898","0.0012","12.36","0.0012","90","","99.878","0.002","90","","3215.3","0.5","90","","90","","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C29 H48 Cl2 N4 O3 Zn2 -","- C29 H48 Cl2 N4 O3 Zn2 -","- C116 H192 Cl8 N16 O12 Zn8 -","4","1","","Kremer, Alexandre B.; Osten, Kimberly M.; Yu, Insun; Ebrahimi, Tannaz; Aluthge, Dinesh C.; Mehrkhodavandi, Parisa","Dinucleating Ligand Platforms Supporting Indium and Zinc Catalysts for Cyclic Ester Polymerization.","Inorganic chemistry","2016","55","11","5365","5374","10.1021/acs.inorgchem.6b00358","","","0.71073","MoKα","","0.0255","0.022","","","0.0518","0.0531","","","","","","1.033","","","","has coordinates","232386","2020-10-21","18:00:00",""
"4347576","11.307","0.005","18.369","0.005","22.01","0.005","84.491","0.005","83.099","0.005","83.917","0.005","4497","3","90","","90","","","","","","","","","6","P -1","-P 1","2","","","","- C68.57 H112.86 Cl8 In4 N8 O4 -","- C68.57 H112.878 Cl8 In4 N8 O4 -","- C137.14 H225.756 Cl16 In8 N16 O8 -","2","1","","Kremer, Alexandre B.; Osten, Kimberly M.; Yu, Insun; Ebrahimi, Tannaz; Aluthge, Dinesh C.; Mehrkhodavandi, Parisa","Dinucleating Ligand Platforms Supporting Indium and Zinc Catalysts for Cyclic Ester Polymerization.","Inorganic chemistry","2016","55","11","5365","5374","10.1021/acs.inorgchem.6b00358","","","0.71069","MoKα","","0.1027","0.0571","","","0.1193","0.144","","","","","","1.021","","","","has coordinates,has disorder","232386","2020-10-21","18:00:00",""
"4347577","15.31","0.002","11.246","0.0017","19.389","0.003","90","","104.472","0.004","90","","3232.4","0.8","90","2","90.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C24 H45 Cl4 In2 N5 O2 -","- C24 H45 Cl4 In2 N5 O2 -","- C96 H180 Cl16 In8 N20 O8 -","4","1","","Kremer, Alexandre B.; Osten, Kimberly M.; Yu, Insun; Ebrahimi, Tannaz; Aluthge, Dinesh C.; Mehrkhodavandi, Parisa","Dinucleating Ligand Platforms Supporting Indium and Zinc Catalysts for Cyclic Ester Polymerization.","Inorganic chemistry","2016","55","11","5365","5374","10.1021/acs.inorgchem.6b00358","","","0.71069","MoKα","","0.0694","0.0355","","","0.0602","0.0682","","","","","","1","","","","has coordinates","232386","2020-10-21","18:00:00",""
"4347578","11.1516","0.0011","11.3564","0.0011","45.652","0.004","90","","90","","90","","5781.5","0.9","90","2","90","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C25 H39 Cl3 N4 O Zn2 -","- C25 H39 Cl3 N4 O Zn2 -","- C200 H312 Cl24 N32 O8 Zn16 -","8","2","","Kremer, Alexandre B.; Osten, Kimberly M.; Yu, Insun; Ebrahimi, Tannaz; Aluthge, Dinesh C.; Mehrkhodavandi, Parisa","Dinucleating Ligand Platforms Supporting Indium and Zinc Catalysts for Cyclic Ester Polymerization.","Inorganic chemistry","2016","55","11","5365","5374","10.1021/acs.inorgchem.6b00358","","","0.71073","MoKα","","0.0746","0.0514","","","0.0823","0.0865","","","","","","1.083","","","","has coordinates","232386","2020-10-21","18:00:00",""
"4347579","9.6695","0.001","13.0329","0.0013","18.2092","0.0019","107.933","0.002","92.617","0.002","97.399","0.002","2156.2","0.4","90","","90","","","","","","","","","6","P -1","-P 1","2","","","","- C27 H48 Cl4 In2 N4 O2 -","- C27 H48 Cl4 In2 N4 O2 -","- C54 H96 Cl8 In4 N8 O4 -","2","1","","Kremer, Alexandre B.; Osten, Kimberly M.; Yu, Insun; Ebrahimi, Tannaz; Aluthge, Dinesh C.; Mehrkhodavandi, Parisa","Dinucleating Ligand Platforms Supporting Indium and Zinc Catalysts for Cyclic Ester Polymerization.","Inorganic chemistry","2016","55","11","5365","5374","10.1021/acs.inorgchem.6b00358","","","0.71073","MoKα","","0.0284","0.0259","","","0.0638","0.0656","","","","","","1.13","","","","has coordinates,has disorder","232386","2020-10-21","18:00:00",""
"4347580","7.7795","0.0004","7.7876","0.0004","13.3463","0.0007","104.901","0.001","95.047","0.001","92.463","0.001","776.54","0.07","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C24 H17 Cl4 F12 N4 Ru -","- C24 H17 Cl4 F12 N4 Ru -","- C24 H17 Cl4 F12 N4 Ru -","1","0.5","","Chang, Stephanie W.; Lewis, Andrew R.; Prosser, Kathleen E.; Thompson, John R.; Gladkikh, Margarita; Bally, Marcel B.; Warren, Jeffrey J.; Walsby, Charles J.","CF3 Derivatives of the Anticancer Ru(III) Complexes KP1019, NKP-1339, and Their Imidazole and Pyridine Analogues Show Enhanced Lipophilicity, Albumin Interactions, and Cytotoxicity.","Inorganic chemistry","2016","55","10","4850","4863","10.1021/acs.inorgchem.6b00359","","","0.71073","MoKα","","0.037","0.0321","","","0.0816","0.0878","","","","","","1.082","","","","has coordinates,has disorder","232387","2020-10-21","18:00:00",""
"4347581","10.9244","0.0012","12.2867","0.0014","14.6192","0.0016","66.278","0.0016","84.027","0.0017","89","0.0018","1786.1","0.3","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C32 H26 Cl4 F6 N4 P Ru -","- C32 H26 Cl4 F6 N4 P Ru -","- C64 H52 Cl8 F12 N8 P2 Ru2 -","2","1","","Chang, Stephanie W.; Lewis, Andrew R.; Prosser, Kathleen E.; Thompson, John R.; Gladkikh, Margarita; Bally, Marcel B.; Warren, Jeffrey J.; Walsby, Charles J.","CF3 Derivatives of the Anticancer Ru(III) Complexes KP1019, NKP-1339, and Their Imidazole and Pyridine Analogues Show Enhanced Lipophilicity, Albumin Interactions, and Cytotoxicity.","Inorganic chemistry","2016","55","10","4850","4863","10.1021/acs.inorgchem.6b00359","","","0.71073","MoKα","","0.0524","0.0431","","","0.1176","0.126","","","","","","1.044","","","","has coordinates,has disorder","232387","2020-10-21","18:00:00",""
"4347582","13.9152","0.0006","14.757","0.0006","15.9237","0.0006","116.342","0.001","94.334","0.001","105.274","0.001","2755.9","0.2","296","2","296","2","","","","","","","","8","P -1","-P 1","2","","","","- C107 H86 Cl8 F12 N10 O P4 Ru2 -","- C107 H86 Cl8 F12 N10 O P4 Ru2 -","- C107 H86 Cl8 F12 N10 O P4 Ru2 -","1","0.5","","Chang, Stephanie W.; Lewis, Andrew R.; Prosser, Kathleen E.; Thompson, John R.; Gladkikh, Margarita; Bally, Marcel B.; Warren, Jeffrey J.; Walsby, Charles J.","CF3 Derivatives of the Anticancer Ru(III) Complexes KP1019, NKP-1339, and Their Imidazole and Pyridine Analogues Show Enhanced Lipophilicity, Albumin Interactions, and Cytotoxicity.","Inorganic chemistry","2016","55","10","4850","4863","10.1021/acs.inorgchem.6b00359","","","0.71073","MoKα","","0.0858","0.0491","","","0.1363","0.163","","","","","","1.007","","","","has coordinates,has disorder","232387","2020-10-21","18:00:00",""
"4347583","13.339","0.0017","16.241","0.003","17.767","0.003","109.263","0.01","90.811","0.01","101.45","0.01","3548","1","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C27 H36 Cl4 N4 O2 Pt2 S4 -","- C27 H36 Cl4 N4 O2 Pt2 S4 -","- C108 H144 Cl16 N16 O8 Pt8 S16 -","4","2","","Presa, Andreu; Barrios, Leoní; Cirera, Jordi; Korrodi-Gregório, Luís; Pérez-Tomás, Ricardo; Teat, Simon J.; Gamez, Patrick","Non-Switching 1,2-Dithienylethene-based Diplatinum(II) Complex Showing High Cytotoxicity.","Inorganic chemistry","2016","55","11","5356","5364","10.1021/acs.inorgchem.6b00362","","","0.7749","synchrotron","","0.1513","0.1163","","","0.3008","0.3369","","","","","","1.04","","","","has coordinates","232388","2020-10-21","18:00:00",""
"4347584","19.1704","0.0008","19.1269","0.0008","14.7424","0.0006","90","","94.854","0.002","90","","5386.2","0.4","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","BSA-53","","","- C20 H40 Cl Co F6 N P3 -","- C20 H40 Cl Co F6 N P3 -","- C160 H320 Cl8 Co8 F48 N8 P24 -","8","2","","Lagaditis, Paraskevi O.; Schluschaß, Bastian; Demeshko, Serhiy; Würtele, Christian; Schneider, Sven","Square-Planar Cobalt(III) Pincer Complex.","Inorganic chemistry","2016","55","9","4529","4536","10.1021/acs.inorgchem.6b00369","","","0.71073","MoKα","","0.0388","0.0284","","","0.0603","0.0671","","","","","","1.111","","","","has coordinates","232389","2020-10-21","18:00:00",""
"4347585","12.1068","0.0009","14.3168","0.0011","14.3964","0.0011","90","","104.355","0.002","90","","2417.4","0.3","104","2","104","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","BS-A114","","","- C21 H44 Co N O P2 -","- C21 H44 Co N O P2 -","- C84 H176 Co4 N4 O4 P8 -","4","1","","Lagaditis, Paraskevi O.; Schluschaß, Bastian; Demeshko, Serhiy; Würtele, Christian; Schneider, Sven","Square-Planar Cobalt(III) Pincer Complex.","Inorganic chemistry","2016","55","9","4529","4536","10.1021/acs.inorgchem.6b00369","","","0.71073","MoKα","","0.0731","0.0486","","","0.0853","0.0918","","","","","","1.117","","","","has coordinates","232390","2020-10-21","18:00:00",""
"4347586","7.0747","0.0002","14.7836","0.0005","12.4276","0.0004","90","","91.112","0.002","90","","1299.55","0.07","173","2","173","2","","","","","","","","6","P 1 21 1","P 2yb","4","pvib192B","","","- C20 H45 Cl2 Co N P2 -","- C20 H45 Cl2 Co N P2 -","- C40 H90 Cl4 Co2 N2 P4 -","2","1","","Lagaditis, Paraskevi O.; Schluschaß, Bastian; Demeshko, Serhiy; Würtele, Christian; Schneider, Sven","Square-Planar Cobalt(III) Pincer Complex.","Inorganic chemistry","2016","55","9","4529","4536","10.1021/acs.inorgchem.6b00369","","","0.71073","MoKα","","0.0402","0.0282","","","0.0483","0.051","","","","","","1.02","","","","has coordinates","232391","2020-10-21","18:00:00",""
"4347587","12.1821","0.0006","14.182","0.0006","14.4863","0.0007","90","","104.471","0.002","90","","2423.3","0.2","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","pvlb1-167","","","- C20 H44 Cl Co N P2 -","- C20 H44 Cl Co N P2 -","- C80 H176 Cl4 Co4 N4 P8 -","4","1","","Lagaditis, Paraskevi O.; Schluschaß, Bastian; Demeshko, Serhiy; Würtele, Christian; Schneider, Sven","Square-Planar Cobalt(III) Pincer Complex.","Inorganic chemistry","2016","55","9","4529","4536","10.1021/acs.inorgchem.6b00369","","","0.71073","MoKα","","0.0699","0.0372","","","0.0664","0.076","","","","","","1.041","","","","has coordinates","232392","2020-10-21","18:00:00",""
"4347588","11.4745","0.0004","8.357","0.0003","13.5663","0.0006","90","","114.23","0.003","90","","1186.3","0.08","133","2","133","2","","","","","","","","6","P 1 2/c 1","-P 2yc","13","","","","- C20 H40 Cl Co N P2 -","- C20 H40 Cl Co N P2 -","- C40 H80 Cl2 Co2 N2 P4 -","2","0.5","","Lagaditis, Paraskevi O.; Schluschaß, Bastian; Demeshko, Serhiy; Würtele, Christian; Schneider, Sven","Square-Planar Cobalt(III) Pincer Complex.","Inorganic chemistry","2016","55","9","4529","4536","10.1021/acs.inorgchem.6b00369","","","0.71073","MoKα","","0.0448","0.0328","","","0.072","0.0756","","","","","","1.008","","","","has coordinates","232393","2020-10-21","18:00:00",""
"4347589","13.8511","0.0006","13.8909","0.0007","16.2469","0.0008","113.737","0.002","109.182","0.002","90.202","0.002","2669.1","0.2","101","2","101","2","","","","","","","","8","P -1","-P 1","2","BS-A_075","","","- C20 H41 B Cl Co F4 N P2 -","- C20 H41 B Cl Co F4 N P2 -","- C80 H164 B4 Cl4 Co4 F16 N4 P8 -","4","2","","Lagaditis, Paraskevi O.; Schluschaß, Bastian; Demeshko, Serhiy; Würtele, Christian; Schneider, Sven","Square-Planar Cobalt(III) Pincer Complex.","Inorganic chemistry","2016","55","9","4529","4536","10.1021/acs.inorgchem.6b00369","","","0.71073","MoKα","","0.0889","0.0668","","","0.1395","0.1495","","","","","","1.156","","","","has coordinates","232394","2020-10-21","18:00:00",""
"4347590","8.3107","0.0011","20.977","0.003","14.3233","0.0016","90","","107.679","0.007","90","","2379.1","0.5","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C20 H42 Cl Co N P2 -","- C20 H42 Cl Co N P2 -","- C80 H168 Cl4 Co4 N4 P8 -","4","1","","Lagaditis, Paraskevi O.; Schluschaß, Bastian; Demeshko, Serhiy; Würtele, Christian; Schneider, Sven","Square-Planar Cobalt(III) Pincer Complex.","Inorganic chemistry","2016","55","9","4529","4536","10.1021/acs.inorgchem.6b00369","","","0.56086","AgKα","","0.0534","0.0326","","","0.0774","0.0851","","","","","","0.956","","","","has coordinates","232395","2020-10-21","18:00:00",""
"4347591","29.0335","0.0009","14.0241","0.0004","14.3063","0.0005","90","","112.5","0.002","90","","5381.7","0.3","100","2","100","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","BS-A-074","","","- C20 H45 B Cl Co F4 N P2 -","- C20 H45 B Cl Co F4 N P2 -","- C160 H360 B8 Cl8 Co8 F32 N8 P16 -","8","1","","Lagaditis, Paraskevi O.; Schluschaß, Bastian; Demeshko, Serhiy; Würtele, Christian; Schneider, Sven","Square-Planar Cobalt(III) Pincer Complex.","Inorganic chemistry","2016","55","9","4529","4536","10.1021/acs.inorgchem.6b00369","","","0.71073","MoKα","","0.0444","0.0314","","","0.0655","0.0698","","","","","","1.017","","","","has coordinates","232396","2020-10-21","18:00:00",""
"4347592","16.3674","0.0012","27.1222","0.0019","34.577","0.003","90","","120.171","0.011","90","","13270","2","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C144 H96 N24 O20 Re6 -","- C144 H96 N24 O20 Re6 -","- C576 H384 N96 O80 Re24 -","4","1","","Shankar, Bhaskaran; Marimuthu, Rajendiran; Deval Sathiyashivan, Shankar; Sathiyendiran, Malaichamy","Spheroid Metallacycles and Metallocavitands with Calixarene- and/or Cleft-Shaped Receptors on the Surface.","Inorganic chemistry","2016","55","9","4537","4544","10.1021/acs.inorgchem.6b00371","","","1.54184","CuKα","","0.213","0.1145","","","0.2697","0.3655","","","","","","0.85","","","","has coordinates","232397","2020-10-21","18:00:00",""
"4347593","14.609","0.004","15.011","0.004","16.039","0.005","107.27","0.005","91.454","0.005","105.883","0.005","3208.6","1.6","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C126 H96 N24 O24 Re6 -","- C126 H96 N24 O24 Re6 -","- C126 H96 N24 O24 Re6 -","1","0.5","","Shankar, Bhaskaran; Marimuthu, Rajendiran; Deval Sathiyashivan, Shankar; Sathiyendiran, Malaichamy","Spheroid Metallacycles and Metallocavitands with Calixarene- and/or Cleft-Shaped Receptors on the Surface.","Inorganic chemistry","2016","55","9","4537","4544","10.1021/acs.inorgchem.6b00371","","","0.71073","MoKα","","0.0652","0.0447","","","0.1096","0.1187","","","","","","0.985","","","","has coordinates","232397","2020-10-21","18:00:00",""
"4347594","18.1372","0.0015","25.086","0.002","33.454","0.003","90","","102.118","0.001","90","","14882","2","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C169 H104 N24 O18 Re6 -","- C169 H104 N24 O18 Re6 -","- C676 H416 N96 O72 Re24 -","4","1","","Shankar, Bhaskaran; Marimuthu, Rajendiran; Deval Sathiyashivan, Shankar; Sathiyendiran, Malaichamy","Spheroid Metallacycles and Metallocavitands with Calixarene- and/or Cleft-Shaped Receptors on the Surface.","Inorganic chemistry","2016","55","9","4537","4544","10.1021/acs.inorgchem.6b00371","","","0.71073","MoKα","","0.1058","0.0714","","","0.1676","0.1835","","","","","","1.04","","","","has coordinates","232397","2020-10-21","18:00:00",""
"4347595","15.6048","0.0013","15.9121","0.0013","16.8834","0.0014","114.305","0.001","94.371","0.001","98.548","0.001","3734.1","0.5","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C144 H108 N24 O20 Re6 -","- C144 H108 N24 O20 Re6 -","- C144 H108 N24 O20 Re6 -","1","0.5","","Shankar, Bhaskaran; Marimuthu, Rajendiran; Deval Sathiyashivan, Shankar; Sathiyendiran, Malaichamy","Spheroid Metallacycles and Metallocavitands with Calixarene- and/or Cleft-Shaped Receptors on the Surface.","Inorganic chemistry","2016","55","9","4537","4544","10.1021/acs.inorgchem.6b00371","","","0.71073","MoKα","","0.062","0.0455","","","0.0948","0.1006","","","","","","1.01","","","","has coordinates","232397","2020-10-21","18:00:00",""
"4347596","28.127","0.004","19.365","0.003","28.965","0.004","90","","108.018","0.002","90","","15003","4","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C162 H108 N24 O18 Re6 -","- C162 H108 N24 O18 Re6 -","- C648 H432 N96 O72 Re24 -","4","0.5","","Shankar, Bhaskaran; Marimuthu, Rajendiran; Deval Sathiyashivan, Shankar; Sathiyendiran, Malaichamy","Spheroid Metallacycles and Metallocavitands with Calixarene- and/or Cleft-Shaped Receptors on the Surface.","Inorganic chemistry","2016","55","9","4537","4544","10.1021/acs.inorgchem.6b00371","","","0.71073","MoKα","","0.078","0.0584","","","0.1294","0.1396","","","","","","1.057","","","","has coordinates","232397","2020-10-21","18:00:00",""
"4347597","9.5554","0.0003","25.465","0.0009","5.6861","0.0001","90","","90","","90","","1383.59","0.07","133","2","133.15","","","","","","","","","6","P 21 21 2","P 2 2ab","18","","","","- C34 H22 Br2 Co N2 O2 -","- C34 H22 Br2 Co N2 O2 -","- C68 H44 Br4 Co2 N4 O4 -","2","0.5","","Ziegenbalg, Sven; Hornig, David; Görls, Helmar; Plass, Winfried","Cobalt(II)-Based Single-Ion Magnets with Distorted Pseudotetrahedral [N2O2] Coordination: Experimental and Theoretical Investigations.","Inorganic chemistry","2016","55","8","4047","4058","10.1021/acs.inorgchem.6b00373","","","0.71073","MoKα","","0.0268","0.0246","","","0.0521","0.0534","","","","","","1.119","","","","has coordinates","232398","2020-10-21","18:00:00",""
"4347598","9.3795","0.0002","10.3351","0.0002","20.3076","0.0004","100.131","0.001","92.952","0.001","107.721","0.001","1834.31","0.07","133","2","133.15","","","","","","","","","6","P -1","-P 1","2","","","","- C47 H34 Cl2 Co N2 O2 -","- C47 H34 Cl2 Co N2 O2 -","- C94 H68 Cl4 Co2 N4 O4 -","2","1","","Ziegenbalg, Sven; Hornig, David; Görls, Helmar; Plass, Winfried","Cobalt(II)-Based Single-Ion Magnets with Distorted Pseudotetrahedral [N2O2] Coordination: Experimental and Theoretical Investigations.","Inorganic chemistry","2016","55","8","4047","4058","10.1021/acs.inorgchem.6b00373","","","0.71073","MoKα","","0.037","0.0334","","","0.0782","0.081","","","","","","1.067","","","","has coordinates","232399","2020-10-21","18:00:00",""
"4347599","9.5402","0.001","18.245","0.002","24.821","0.003","90","","90","","90","","4320.4","0.8","140","2","140","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C41 H59 Cl2 N3 O Si2 Zn -","- C41 H59 Cl2 N3 O Si2 Zn -","- C164 H236 Cl8 N12 O4 Si8 Zn4 -","4","1","","Wang, Haobing; Yang, Yang; Ma, Haiyan","Exploring Steric Effects in Diastereoselective Synthesis of Chiral Aminophenolate Zinc Complexes and Stereoselective Ring-Opening Polymerization of rac-Lactide.","Inorganic chemistry","2016","55","15","7356","7372","10.1021/acs.inorgchem.6b00378","","","0.71073","MoKα","","0.0385","0.0298","","","0.0653","0.0684","","","","","","0.996","","","","has coordinates","232401","2020-10-21","18:00:00",""
"4347600","10.488","0.004","17.139","0.007","23.142","0.009","90","","97.287","0.009","90","","4126","3","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C37 H65 N3 O Si2 Zn -","- C37 H65 N3 O Si2 Zn -","- C148 H260 N12 O4 Si8 Zn4 -","4","2","","Wang, Haobing; Yang, Yang; Ma, Haiyan","Exploring Steric Effects in Diastereoselective Synthesis of Chiral Aminophenolate Zinc Complexes and Stereoselective Ring-Opening Polymerization of rac-Lactide.","Inorganic chemistry","2016","55","15","7356","7372","10.1021/acs.inorgchem.6b00378","","","0.71073","MoKα","","0.1803","0.1152","","","0.2782","0.3263","","","","","","1.016","","","","has coordinates","232401","2020-10-21","18:00:00",""
"4347601","11.4182","0.0012","11.9745","0.0013","21.951","0.002","102.393","0.002","90.695","0.002","116.379","0.002","2606.2","0.5","140","2","140","2","","","","","","","","6","P -1","-P 1","2","","","","- C59 H71 N3 O Si2 Zn -","- C59 H71 N3 O Si2 Zn -","- C118 H142 N6 O2 Si4 Zn2 -","2","1","","Wang, Haobing; Yang, Yang; Ma, Haiyan","Exploring Steric Effects in Diastereoselective Synthesis of Chiral Aminophenolate Zinc Complexes and Stereoselective Ring-Opening Polymerization of rac-Lactide.","Inorganic chemistry","2016","55","15","7356","7372","10.1021/acs.inorgchem.6b00378","","","0.71073","MoKα","","0.1025","0.0935","","","0.2287","0.2395","","","","","","1.214","","","","has coordinates,has disorder","232401","2020-10-21","18:00:00",""
"4347602","15.123","0.002","10.8882","0.0014","16.463","0.002","90","","111.496","0.003","90","","2522.3","0.6","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C45 H65 N3 O Si2 Zn -","- C45 H65 N3 O Si2 Zn -","- C90 H130 N6 O2 Si4 Zn2 -","2","1","","Wang, Haobing; Yang, Yang; Ma, Haiyan","Exploring Steric Effects in Diastereoselective Synthesis of Chiral Aminophenolate Zinc Complexes and Stereoselective Ring-Opening Polymerization of rac-Lactide.","Inorganic chemistry","2016","55","15","7356","7372","10.1021/acs.inorgchem.6b00378","","","0.71073","MoKα","","0.093","0.0622","","","0.1359","0.1487","","","","","","0.937","","","","has coordinates","232401","2020-10-21","18:00:00",""
"4347603","8.3865","0.0009","17.5334","0.0019","23.826","0.003","90","","90","","90","","3503.5","0.7","140","2","140","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C41 H52 N2 O Zn -","- C41 H52 N2 O Zn -","- C164 H208 N8 O4 Zn4 -","4","1","","Wang, Haobing; Yang, Yang; Ma, Haiyan","Exploring Steric Effects in Diastereoselective Synthesis of Chiral Aminophenolate Zinc Complexes and Stereoselective Ring-Opening Polymerization of rac-Lactide.","Inorganic chemistry","2016","55","15","7356","7372","10.1021/acs.inorgchem.6b00378","","","0.71073","MoKα","","0.0528","0.0346","","","0.0769","0.0834","","","","","","0.992","","","","has coordinates","232401","2020-10-21","18:00:00",""
"4347604","12.2375","0.0013","16.5783","0.0018","17.4078","0.0018","90","","90","","90","","3531.6","0.6","296","2","296","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C39 H47 Cl N2 O Zn -","- C39 H47 Cl N2 O Zn -","- C156 H188 Cl4 N8 O4 Zn4 -","4","1","","Wang, Haobing; Yang, Yang; Ma, Haiyan","Exploring Steric Effects in Diastereoselective Synthesis of Chiral Aminophenolate Zinc Complexes and Stereoselective Ring-Opening Polymerization of rac-Lactide.","Inorganic chemistry","2016","55","15","7356","7372","10.1021/acs.inorgchem.6b00378","","","0.71073","MoKα","","0.07","0.0395","","","0.089","0.1019","","","","","","0.974","","","","has coordinates","232401","2020-10-21","18:00:00",""
"4347605","14.16","0.005","7.271","0.005","8.982","0.005","90","0.005","108.851","0.005","90","0.005","875.2","0.8","100","2","100","2","","","","","","","","4","C 1 2/m 1","-C 2y","12","Ca-dhbq","","","- C6 H8 Ca O7 -","- C6 H8 Ca O7 -","- C24 H32 Ca4 O28 -","4","0.5","","Sumida, Kenji; Hu, Ming; Furukawa, Shuhei; Kitagawa, Susumu","Structuralization of Ca(2+)-Based Metal-Organic Frameworks Prepared via Coordination Replication of Calcium Carbonate.","Inorganic chemistry","2016","55","7","3700","3705","10.1021/acs.inorgchem.6b00397","","","0.71069","MoKα","","0.0712","0.052","","","0.1088","0.1187","","","","","","1.076","","","","has coordinates","232402","2020-10-21","18:00:00",""
"4347606","16.1735","0.0008","15.9616","0.0006","11.9448","0.0005","90","","101.142","0.002","90","","3025.5","0.2","173","2","173","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C26 H23 Cl F3 N5 O11 Ru S -","- C26 H23 Cl F3 N5 O11 Ru S -","- C104 H92 Cl4 F12 N20 O44 Ru4 S4 -","4","1","","Duan, Lele; Manbeck, Gerald F.; Kowalczyk, Marta; Szalda, David J.; Muckerman, James T.; Himeda, Yuichiro; Fujita, Etsuko","Noninnocent Proton-Responsive Ligand Facilitates Reductive Deprotonation and Hinders CO2 Reduction Catalysis in [Ru(tpy)(6DHBP)(NCCH3)](2+) (6DHBP = 6,6'-(OH)2bpy).","Inorganic chemistry","2016","55","9","4582","4594","10.1021/acs.inorgchem.6b00398","","","0.71073","MoKα","","0.0816","0.0404","","","0.0744","0.0855","","","","","","1.003","","","","has coordinates","232403","2020-10-21","18:00:00",""
"4347607","8.8906","0.0018","12.684","0.003","14.297","0.003","70.162","0.01","88.379","0.01","75.563","0.009","1465.9","0.6","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C25 H26.5 Cl2 N5 O5.75 Ru -","- C25 H25 Cl2 N5 O5.75 Ru -","- C50 H50 Cl4 N10 O11.5 Ru2 -","2","1","","Duan, Lele; Manbeck, Gerald F.; Kowalczyk, Marta; Szalda, David J.; Muckerman, James T.; Himeda, Yuichiro; Fujita, Etsuko","Noninnocent Proton-Responsive Ligand Facilitates Reductive Deprotonation and Hinders CO2 Reduction Catalysis in [Ru(tpy)(6DHBP)(NCCH3)](2+) (6DHBP = 6,6'-(OH)2bpy).","Inorganic chemistry","2016","55","9","4582","4594","10.1021/acs.inorgchem.6b00398","","","0.71073","MoKα","","0.1125","0.0747","","","0.1765","0.1937","","","","","","1.059","","","","has coordinates","232403","2020-10-21","18:00:00",""
"4347608","25.4619","0.0008","13.4074","0.0004","17.7238","0.0006","90","","124.627","0.001","90","","4978.8","0.3","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C26 H23 N5 O6 Ru -","- C26 H23 N5 O6 Ru -","- C208 H184 N40 O48 Ru8 -","8","1","","Duan, Lele; Manbeck, Gerald F.; Kowalczyk, Marta; Szalda, David J.; Muckerman, James T.; Himeda, Yuichiro; Fujita, Etsuko","Noninnocent Proton-Responsive Ligand Facilitates Reductive Deprotonation and Hinders CO2 Reduction Catalysis in [Ru(tpy)(6DHBP)(NCCH3)](2+) (6DHBP = 6,6'-(OH)2bpy).","Inorganic chemistry","2016","55","9","4582","4594","10.1021/acs.inorgchem.6b00398","","","0.71073","MoKα","","0.0396","0.0262","","","0.0588","0.0639","","","","","","1.015","","","","has coordinates","232403","2020-10-21","18:00:00",""
"4347609","9.04","0.002","18.65","0.005","10.217","0.003","90","","93.598","0.003","90","","1719.2","0.8","150","2","150","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C28 H20 Br8 Co N3 O5 -","- C28 H20 Br8 Co N3 O5 -","- C56 H40 Br16 Co2 N6 O10 -","2","1","","Panja, Anangamohan; Jana, Narayan Ch; Bauzá, Antonio; Frontera, Antonio; Mathonière, Corine","Solvent-Triggered Cis/Trans Isomerism in Cobalt Dioxolene Chemistry: Distinguishing Effects of Packing on Valence Tautomerism.","Inorganic chemistry","2016","55","17","8331","8340","10.1021/acs.inorgchem.6b00402","","","0.71073","MoKα","","0.052","0.0397","","","0.0894","0.0947","","","","","","0.997","","","","has coordinates","232404","2020-10-21","18:00:00",""
"4347610","11.955","0.003","15.88","0.005","11.351","0.004","90","","105.698","0.005","90","","2074.6","1.1","150","2","150","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- C32 H32 Br8 Co N4 O8 -","- C32 H32 Br8 Co N4 O8 -","- C64 H64 Br16 Co2 N8 O16 -","2","0.25","","Panja, Anangamohan; Jana, Narayan Ch; Bauzá, Antonio; Frontera, Antonio; Mathonière, Corine","Solvent-Triggered Cis/Trans Isomerism in Cobalt Dioxolene Chemistry: Distinguishing Effects of Packing on Valence Tautomerism.","Inorganic chemistry","2016","55","17","8331","8340","10.1021/acs.inorgchem.6b00402","","","0.71073","MoKα","","0.0749","0.0424","","","0.1017","0.1159","","","","","","1","","","","has coordinates","232404","2020-10-21","18:00:00",""
"4347611","9.391","0.004","9.421","0.004","18.77","0.009","80.467","0.006","88.41","0.007","63.66","0.006","1465.7","1.1","173","2","173","2","","","","","","","","5","P 1","P 1","1","","bis{(S)-N-phenylethyl-2-oxo-1-naphthaldiminato-κ^2^N,O}zinc(II)","","- C38 H32 N2 O2 Zn -","- C38 H32 N2 O2 Zn -","- C76 H64 N4 O4 Zn2 -","2","2","","Enamullah, Mohammed; Makhloufi, Gamall; Ahmed, Rifat; Joy, Baitul Alif; Islam, Mohammad Ariful; Padula, Daniele; Hunter, Howard; Pescitelli, Gennaro; Janiak, Christoph","Synthesis, X-ray, and Spectroscopic Study of Dissymmetric Tetrahedral Zinc(II) Complexes from Chiral Schiff Base Naphthaldiminate Ligands with Apparent Exception to the ECD Exciton Chirality.","Inorganic chemistry","2016","55","13","6449","6464","10.1021/acs.inorgchem.6b00403","","","0.71073","MoKα","","0.0712","0.0558","","","0.1253","0.1332","","","","","","1.03","","","","has coordinates","232405","2020-10-21","18:00:00",""
"4347612","9.4341","0.0016","9.4537","0.0016","18.85","0.003","88.25","0.01","80.07","0.01","63.951","0.009","1485.8","0.4","100","2","100","2","","","","","","","","5","P 1","P 1","1","","","","- C38 H32 N2 O2 Zn -","- C38 H32 N2 O2 Zn -","- C76 H64 N4 O4 Zn2 -","2","2","","Enamullah, Mohammed; Makhloufi, Gamall; Ahmed, Rifat; Joy, Baitul Alif; Islam, Mohammad Ariful; Padula, Daniele; Hunter, Howard; Pescitelli, Gennaro; Janiak, Christoph","Synthesis, X-ray, and Spectroscopic Study of Dissymmetric Tetrahedral Zinc(II) Complexes from Chiral Schiff Base Naphthaldiminate Ligands with Apparent Exception to the ECD Exciton Chirality.","Inorganic chemistry","2016","55","13","6449","6464","10.1021/acs.inorgchem.6b00403","","","0.71073","MoKα","","0.0606","0.0431","","","0.0813","0.089","","","","","","1.011","","","","has coordinates","232406","2020-10-21","18:00:00",""
"4347613","12.0424","0.0008","18.9648","0.0013","15.3577","0.001","90","","108.771","0.002","90","","3320.9","0.4","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","bis{(S)-N-(p-methoxphenyl)ethyl-2-oxo-1-naphthaldiminato-κ^2^N,O}zinc(II)","","- C40 H36 N2 O4 Zn -","- C40 H36 N2 O4 Zn -","- C160 H144 N8 O16 Zn4 -","4","2","","Enamullah, Mohammed; Makhloufi, Gamall; Ahmed, Rifat; Joy, Baitul Alif; Islam, Mohammad Ariful; Padula, Daniele; Hunter, Howard; Pescitelli, Gennaro; Janiak, Christoph","Synthesis, X-ray, and Spectroscopic Study of Dissymmetric Tetrahedral Zinc(II) Complexes from Chiral Schiff Base Naphthaldiminate Ligands with Apparent Exception to the ECD Exciton Chirality.","Inorganic chemistry","2016","55","13","6449","6464","10.1021/acs.inorgchem.6b00403","","","0.71073","MoKα","","0.0511","0.0364","","","0.0665","0.0708","","","","","","0.967","","","","has coordinates","232407","2020-10-21","18:00:00",""
"4347614","12.0388","0.0009","19.0223","0.0014","15.342","0.0011","90","","108.78","0.002","90","","3326.4","0.4","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","bis{(R)-N-(p-methoxphenyl)ethyl-2-oxo-1-naphthaldiminato-κ^2^N,O}zinc(II)","","- C40 H36 N2 O4 Zn -","- C40 H36 N2 O4 Zn -","- C160 H144 N8 O16 Zn4 -","4","2","","Enamullah, Mohammed; Makhloufi, Gamall; Ahmed, Rifat; Joy, Baitul Alif; Islam, Mohammad Ariful; Padula, Daniele; Hunter, Howard; Pescitelli, Gennaro; Janiak, Christoph","Synthesis, X-ray, and Spectroscopic Study of Dissymmetric Tetrahedral Zinc(II) Complexes from Chiral Schiff Base Naphthaldiminate Ligands with Apparent Exception to the ECD Exciton Chirality.","Inorganic chemistry","2016","55","13","6449","6464","10.1021/acs.inorgchem.6b00403","","","0.71073","MoKα","","0.0509","0.0364","","","0.0643","0.0682","","","","","","0.946","","","","has coordinates","232408","2020-10-21","18:00:00",""
"4347615","12.317","0.001","12.3233","0.001","14.1422","0.0012","67.844","0.01","73.242","0.011","67.03","0.01","1805.2","0.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C72 H40 Cl12 La2 N6 O12 -","- C72 H40 Cl12 La2 N6 O12 -","- C72 H40 Cl12 La2 N6 O12 -","1","0.5","","Carter, Korey P.; Thomas, Kara E.; Pope, Simon J. A.; Holmberg, Rebecca J.; Butcher, Ray J.; Murugesu, Muralee; Cahill, Christopher L.","Supramolecular Assembly of Molecular Rare-Earth-3,5-Dichlorobenzoic Acid-2,2':6',2″-Terpyridine Materials: Structural Systematics, Luminescence Properties, and Magnetic Behavior.","Inorganic chemistry","2016","55","14","6902","6915","10.1021/acs.inorgchem.6b00408","","x-ray","0.71073","MoKα","","0.0468","0.0332","","","0.0589","0.0632","","","","","","1.015","","","","has coordinates","232409","2020-10-21","18:00:00",""
"4347616","10.5927","0.001","13.198","0.0012","15.48","0.0014","67.675","0.011","88.912","0.012","69.615","0.012","1860.5","0.4","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C72 H44 Cl12 La2 N6 O14 -","- C72 H44 Cl12 La2 N6 O14 -","- C72 H44 Cl12 La2 N6 O14 -","1","0.5","","Carter, Korey P.; Thomas, Kara E.; Pope, Simon J. A.; Holmberg, Rebecca J.; Butcher, Ray J.; Murugesu, Muralee; Cahill, Christopher L.","Supramolecular Assembly of Molecular Rare-Earth-3,5-Dichlorobenzoic Acid-2,2':6',2″-Terpyridine Materials: Structural Systematics, Luminescence Properties, and Magnetic Behavior.","Inorganic chemistry","2016","55","14","6902","6915","10.1021/acs.inorgchem.6b00408","","x-ray","0.71073","MoKα","","0.0366","0.0286","","","0.0579","0.0612","","","","","","1.026","","","","has coordinates","232409","2020-10-21","18:00:00",""
"4347617","10.601","0.0008","13.2245","0.001","15.4213","0.0012","67.719","0.008","88.784","0.009","69.386","0.009","1856.7","0.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C72 H44 Ce2 Cl12 N6 O14 -","- C72 H44 Ce2 Cl12 N6 O14 -","- C72 H44 Ce2 Cl12 N6 O14 -","1","0.5","","Carter, Korey P.; Thomas, Kara E.; Pope, Simon J. A.; Holmberg, Rebecca J.; Butcher, Ray J.; Murugesu, Muralee; Cahill, Christopher L.","Supramolecular Assembly of Molecular Rare-Earth-3,5-Dichlorobenzoic Acid-2,2':6',2″-Terpyridine Materials: Structural Systematics, Luminescence Properties, and Magnetic Behavior.","Inorganic chemistry","2016","55","14","6902","6915","10.1021/acs.inorgchem.6b00408","","x-ray","0.71073","MoKα","","0.0393","0.0296","","","0.0573","0.0608","","","","","","1.017","","","","has coordinates","232409","2020-10-21","18:00:00",""
"4347618","12.821","0.0007","16.1881","0.0008","16.7008","0.0009","75.31","0.003","69.026","0.003","79.672","0.004","3115.7","0.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C114 H60 Cl24 N6 O25 Pr4 -","- C114 H60 Cl24 N6 O25 Pr4 -","- C114 H60 Cl24 N6 O25 Pr4 -","1","0.5","","Carter, Korey P.; Thomas, Kara E.; Pope, Simon J. A.; Holmberg, Rebecca J.; Butcher, Ray J.; Murugesu, Muralee; Cahill, Christopher L.","Supramolecular Assembly of Molecular Rare-Earth-3,5-Dichlorobenzoic Acid-2,2':6',2″-Terpyridine Materials: Structural Systematics, Luminescence Properties, and Magnetic Behavior.","Inorganic chemistry","2016","55","14","6902","6915","10.1021/acs.inorgchem.6b00408","","x-ray","0.71073","MoKα","","0.0497","0.035","","","0.0682","0.0745","","","","","","1.036","","","","has coordinates,has disorder","232409","2020-10-21","18:00:00",""
"4347619","12.8146","0.001","16.1805","0.0012","16.6822","0.0013","75.23","0.011","68.99","0.011","79.714","0.012","3107.8","0.5","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C114 H59 Cl24 N6 Nd4 O24.5 -","- C114 H59 Cl24.0004 N6 Nd4 O24.5 -","- C114 H59 Cl24.0004 N6 Nd4 O24.5 -","1","0.5","","Carter, Korey P.; Thomas, Kara E.; Pope, Simon J. A.; Holmberg, Rebecca J.; Butcher, Ray J.; Murugesu, Muralee; Cahill, Christopher L.","Supramolecular Assembly of Molecular Rare-Earth-3,5-Dichlorobenzoic Acid-2,2':6',2″-Terpyridine Materials: Structural Systematics, Luminescence Properties, and Magnetic Behavior.","Inorganic chemistry","2016","55","14","6902","6915","10.1021/acs.inorgchem.6b00408","","x-ray","0.71073","MoKα","","0.032","0.0266","","","0.06","0.0617","","","","","","1.289","","","","has coordinates,has disorder","232409","2020-10-21","18:00:00",""
"4347620","12.7959","0.0006","16.2074","0.0007","16.6533","0.0007","74.992","0.004","68.87","0.003","79.511","0.004","3096.5","0.2","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C114 H58 Cl24 N6 O24 Sm4 -","- C114 H58 Cl24 N6 O24 Sm4 -","- C114 H58 Cl24 N6 O24 Sm4 -","1","0.5","","Carter, Korey P.; Thomas, Kara E.; Pope, Simon J. A.; Holmberg, Rebecca J.; Butcher, Ray J.; Murugesu, Muralee; Cahill, Christopher L.","Supramolecular Assembly of Molecular Rare-Earth-3,5-Dichlorobenzoic Acid-2,2':6',2″-Terpyridine Materials: Structural Systematics, Luminescence Properties, and Magnetic Behavior.","Inorganic chemistry","2016","55","14","6902","6915","10.1021/acs.inorgchem.6b00408","","x-ray","0.71073","MoKα","","0.0444","0.031","","","0.064","0.0692","","","","","","1.022","","","","has coordinates","232409","2020-10-21","18:00:00",""
"4347621","12.7973","0.0007","16.2106","0.0009","16.6378","0.0009","74.907","0.001","68.772","0.002","79.499","0.001","3091.5","0.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C114 H58 Cl24 Eu4 N6 O24 -","- C114 H58 Cl24 Eu4 N6 O24 -","- C114 H58 Cl24 Eu4 N6 O24 -","1","0.5","","Carter, Korey P.; Thomas, Kara E.; Pope, Simon J. A.; Holmberg, Rebecca J.; Butcher, Ray J.; Murugesu, Muralee; Cahill, Christopher L.","Supramolecular Assembly of Molecular Rare-Earth-3,5-Dichlorobenzoic Acid-2,2':6',2″-Terpyridine Materials: Structural Systematics, Luminescence Properties, and Magnetic Behavior.","Inorganic chemistry","2016","55","14","6902","6915","10.1021/acs.inorgchem.6b00408","","x-ray","0.71073","MoKα","","0.0461","0.0306","","","0.0564","0.0612","","","","","","1.022","","","","has coordinates","232409","2020-10-21","18:00:00",""
"4347622","12.762","0.006","16.214","0.007","16.564","0.007","74.969","0.004","68.961","0.005","79.614","0.005","3075","2","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C114 H58 Cl24 Gd4 N6 O24 -","- C114 H58 Cl24 Gd4 N6 O24 -","- C114 H58 Cl24 Gd4 N6 O24 -","1","0.5","","Carter, Korey P.; Thomas, Kara E.; Pope, Simon J. A.; Holmberg, Rebecca J.; Butcher, Ray J.; Murugesu, Muralee; Cahill, Christopher L.","Supramolecular Assembly of Molecular Rare-Earth-3,5-Dichlorobenzoic Acid-2,2':6',2″-Terpyridine Materials: Structural Systematics, Luminescence Properties, and Magnetic Behavior.","Inorganic chemistry","2016","55","14","6902","6915","10.1021/acs.inorgchem.6b00408","","x-ray","0.71073","MoKα","","0.0519","0.0388","","","0.0897","0.0949","","","","","","1.036","","","","has coordinates","232409","2020-10-21","18:00:00",""
"4347623","12.7734","0.0008","16.2509","0.001","16.5612","0.001","74.915","0.003","68.995","0.003","79.546","0.004","3083.9","0.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C114 H58 Cl24 N6 O24 Tb4 -","- C114 H58 Cl24 N6 O24 Tb4 -","- C114 H58 Cl24 N6 O24 Tb4 -","1","0.5","","Carter, Korey P.; Thomas, Kara E.; Pope, Simon J. A.; Holmberg, Rebecca J.; Butcher, Ray J.; Murugesu, Muralee; Cahill, Christopher L.","Supramolecular Assembly of Molecular Rare-Earth-3,5-Dichlorobenzoic Acid-2,2':6',2″-Terpyridine Materials: Structural Systematics, Luminescence Properties, and Magnetic Behavior.","Inorganic chemistry","2016","55","14","6902","6915","10.1021/acs.inorgchem.6b00408","","x-ray","0.71073","MoKα","","0.0588","0.0414","","","0.0921","0.0993","","","","","","1.018","","","","has coordinates","232409","2020-10-21","18:00:00",""
"4347624","12.7502","0.0013","16.3218","0.0016","16.4396","0.0016","74.909","0.007","79.71","0.008","70.042","0.008","3089.6","0.6","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C114 H58 Cl24 Dy4 N6 O24 -","- C114 H58 Cl24 Dy4 N6 O24 -","- C114 H58 Cl24 Dy4 N6 O24 -","1","0.5","","Carter, Korey P.; Thomas, Kara E.; Pope, Simon J. A.; Holmberg, Rebecca J.; Butcher, Ray J.; Murugesu, Muralee; Cahill, Christopher L.","Supramolecular Assembly of Molecular Rare-Earth-3,5-Dichlorobenzoic Acid-2,2':6',2″-Terpyridine Materials: Structural Systematics, Luminescence Properties, and Magnetic Behavior.","Inorganic chemistry","2016","55","14","6902","6915","10.1021/acs.inorgchem.6b00408","","x-ray","0.71073","MoKα","","0.0367","0.0269","","","0.055","0.0575","","","","","","1.055","","","","has coordinates","232409","2020-10-21","18:00:00",""
"4347625","12.756","0.0009","16.3167","0.0011","16.4387","0.0011","74.929","0.01","79.748","0.011","70.023","0.009","3090","0.4","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C114 H58 Cl24 Ho4 N6 O24 -","- C114 H58 Cl24 Ho4 N6 O24 -","- C114 H58 Cl24 Ho4 N6 O24 -","1","0.5","","Carter, Korey P.; Thomas, Kara E.; Pope, Simon J. A.; Holmberg, Rebecca J.; Butcher, Ray J.; Murugesu, Muralee; Cahill, Christopher L.","Supramolecular Assembly of Molecular Rare-Earth-3,5-Dichlorobenzoic Acid-2,2':6',2″-Terpyridine Materials: Structural Systematics, Luminescence Properties, and Magnetic Behavior.","Inorganic chemistry","2016","55","14","6902","6915","10.1021/acs.inorgchem.6b00408","","x-ray","0.71073","MoKα","","0.0534","0.0331","","","0.0588","0.0654","","","","","","1.007","","","","has coordinates","232409","2020-10-21","18:00:00",""
"4347626","12.7484","0.0015","16.3141","0.0019","16.4296","0.0019","74.927","0.008","79.759","0.009","70.013","0.009","3085.8","0.7","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C114 H58 Cl24 Er4 N6 O24 -","- C114 H58 Cl24 Er4 N6 O24 -","- C114 H58 Cl24 Er4 N6 O24 -","1","0.5","","Carter, Korey P.; Thomas, Kara E.; Pope, Simon J. A.; Holmberg, Rebecca J.; Butcher, Ray J.; Murugesu, Muralee; Cahill, Christopher L.","Supramolecular Assembly of Molecular Rare-Earth-3,5-Dichlorobenzoic Acid-2,2':6',2″-Terpyridine Materials: Structural Systematics, Luminescence Properties, and Magnetic Behavior.","Inorganic chemistry","2016","55","14","6902","6915","10.1021/acs.inorgchem.6b00408","","x-ray","0.71073","MoKα","","0.0302","0.0239","","","0.0519","0.0546","","","","","","1.035","","","","has coordinates","232409","2020-10-21","18:00:00",""
"4347627","12.7386","0.0008","16.3002","0.001","16.4211","0.001","74.889","0.011","79.66","0.011","69.959","0.01","3077.2","0.4","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C114 H58 Cl24 N6 O24 Tm4 -","- C114 H58 Cl24 N6 O24 Tm4 -","- C114 H58 Cl24 N6 O24 Tm4 -","1","0.5","","Carter, Korey P.; Thomas, Kara E.; Pope, Simon J. A.; Holmberg, Rebecca J.; Butcher, Ray J.; Murugesu, Muralee; Cahill, Christopher L.","Supramolecular Assembly of Molecular Rare-Earth-3,5-Dichlorobenzoic Acid-2,2':6',2″-Terpyridine Materials: Structural Systematics, Luminescence Properties, and Magnetic Behavior.","Inorganic chemistry","2016","55","14","6902","6915","10.1021/acs.inorgchem.6b00408","","x-ray","0.71073","MoKα","","0.0295","0.0228","","","0.0488","0.0513","","","","","","1.02","","","","has coordinates","232409","2020-10-21","18:00:00",""
"4347628","12.7384","0.0009","16.2786","0.0011","16.4168","0.0011","74.792","0.006","79.742","0.007","69.923","0.007","3070.8","0.4","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C114 H58 Cl24 N6 O24 Yb4 -","- C114 H58 Cl24 N6 O24 Yb4 -","- C114 H58 Cl24 N6 O24 Yb4 -","1","0.5","","Carter, Korey P.; Thomas, Kara E.; Pope, Simon J. A.; Holmberg, Rebecca J.; Butcher, Ray J.; Murugesu, Muralee; Cahill, Christopher L.","Supramolecular Assembly of Molecular Rare-Earth-3,5-Dichlorobenzoic Acid-2,2':6',2″-Terpyridine Materials: Structural Systematics, Luminescence Properties, and Magnetic Behavior.","Inorganic chemistry","2016","55","14","6902","6915","10.1021/acs.inorgchem.6b00408","","x-ray","0.71073","MoKα","","0.0347","0.0275","","","0.0568","0.0595","","","","","","1.029","","","","has coordinates","232409","2020-10-21","18:00:00",""
"4347629","12.7351","0.0007","16.2643","0.001","16.393","0.0011","74.891","0.01","79.835","0.01","69.948","0.011","3065.1","0.4","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C114 H58 Cl24 Lu4 N6 O24 -","- C114 H58 Cl24 Lu4 N6 O24 -","- C114 H58 Cl24 Lu4 N6 O24 -","1","0.5","","Carter, Korey P.; Thomas, Kara E.; Pope, Simon J. A.; Holmberg, Rebecca J.; Butcher, Ray J.; Murugesu, Muralee; Cahill, Christopher L.","Supramolecular Assembly of Molecular Rare-Earth-3,5-Dichlorobenzoic Acid-2,2':6',2″-Terpyridine Materials: Structural Systematics, Luminescence Properties, and Magnetic Behavior.","Inorganic chemistry","2016","55","14","6902","6915","10.1021/acs.inorgchem.6b00408","","x-ray","0.71073","MoKα","","0.0277","0.0219","","","0.0467","0.0488","","","","","","1.024","","","","has coordinates","232409","2020-10-21","18:00:00",""
"4347630","12.7564","0.0008","16.3271","0.0011","16.4585","0.0011","74.881","0.009","79.538","0.01","70.008","0.009","3093.7","0.4","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C114 H58 Cl24 N6 O24 Y4 -","- C114 H58 Cl24 N6 O24 Y4 -","- C114 H58 Cl24 N6 O24 Y4 -","1","0.5","","Carter, Korey P.; Thomas, Kara E.; Pope, Simon J. A.; Holmberg, Rebecca J.; Butcher, Ray J.; Murugesu, Muralee; Cahill, Christopher L.","Supramolecular Assembly of Molecular Rare-Earth-3,5-Dichlorobenzoic Acid-2,2':6',2″-Terpyridine Materials: Structural Systematics, Luminescence Properties, and Magnetic Behavior.","Inorganic chemistry","2016","55","14","6902","6915","10.1021/acs.inorgchem.6b00408","","x-ray","0.71073","MoKα","","0.0621","0.0395","","","0.0786","0.0864","","","","","","1.011","","","","has coordinates","232409","2020-10-21","18:00:00",""
"4347631","11.0948","0.0006","21.2245","0.0012","9.3176","0.0005","90","","90","","90","","2194.1","0.2","296","2","296","2","","","","","","","","7","P 21 21 2","P 2 2ab","18","","","","- C22 H50 Co2 Dy F6 O20 P7 -","- C22 H46 Co2 Dy F6 O20 P7 -","- C44 H92 Co4 Dy2 F12 O40 P14 -","2","0.5","","Lim, Kwang Soo; Baldoví, José J; Lee, Woo Ram; Song, Jeong Hwa; Yoon, Sung Won; Suh, Byoung Jin; Coronado, Eugenio; Gaita-Ariño, Alejandro; Hong, Chang Seop","Switching of Slow Magnetic Relaxation Dynamics in Mononuclear Dysprosium(III) Compounds with Charge Density.","Inorganic chemistry","2016","55","11","5398","5404","10.1021/acs.inorgchem.6b00410","","","0.71073","MoKα","","0.0521","0.0488","","","0.1335","0.1366","","","","","","1.06","","","","has coordinates","232410","2020-10-21","18:00:00",""
"4347632","11.027","0.008","21.187","0.011","9.303","0.007","90","","90","","90","","2173","3","296","2","296","2","","","","","","","","7","P 21 21 2","P 2 2ab","18","","","","- C22 H50 Co2 F6 O20 P7 Y -","- C22 H46 Co2 F6 O20 P7 Y -","- C44 H92 Co4 F12 O40 P14 Y2 -","2","0.5","","Lim, Kwang Soo; Baldoví, José J; Lee, Woo Ram; Song, Jeong Hwa; Yoon, Sung Won; Suh, Byoung Jin; Coronado, Eugenio; Gaita-Ariño, Alejandro; Hong, Chang Seop","Switching of Slow Magnetic Relaxation Dynamics in Mononuclear Dysprosium(III) Compounds with Charge Density.","Inorganic chemistry","2016","55","11","5398","5404","10.1021/acs.inorgchem.6b00410","","","0.71073","MoKα","","0.1814","0.0825","","","0.1453","0.1907","","","","","","0.935","","","","has coordinates","232410","2020-10-21","18:00:00",""
"4347633","11.036","0.002","21.151","0.004","9.2922","0.0015","90","","90","","90","","2169","0.7","296","2","296","2","","","","","","","","8","P 21 21 2","P 2 2ab","18","","","","- C22 H50 Co2 Dy0.02 F6 O20 P7 Y0.98 -","- C22 H46 Co2 Dy0.02 F6 O20 P7 Y0.98 -","- C44 H92 Co4 Dy0.04 F12 O40 P14 Y1.96 -","2","0.5","","Lim, Kwang Soo; Baldoví, José J; Lee, Woo Ram; Song, Jeong Hwa; Yoon, Sung Won; Suh, Byoung Jin; Coronado, Eugenio; Gaita-Ariño, Alejandro; Hong, Chang Seop","Switching of Slow Magnetic Relaxation Dynamics in Mononuclear Dysprosium(III) Compounds with Charge Density.","Inorganic chemistry","2016","55","11","5398","5404","10.1021/acs.inorgchem.6b00410","","","0.71073","MoKα","","0.1033","0.0558","","","0.1061","0.1232","","","","","","0.953","","","","has coordinates","232410","2020-10-21","18:00:00",""
"4347634","12.3285","0.0007","19.4664","0.001","16.774","0.001","90","","102.686","0.003","90","","3927.3","0.4","296","2","296","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C22 H46 Co2 Dy N O21 P6 -","- C22 H46 Co2 Dy N O21 P6 -","- C88 H184 Co8 Dy4 N4 O84 P24 -","4","1","","Lim, Kwang Soo; Baldoví, José J; Lee, Woo Ram; Song, Jeong Hwa; Yoon, Sung Won; Suh, Byoung Jin; Coronado, Eugenio; Gaita-Ariño, Alejandro; Hong, Chang Seop","Switching of Slow Magnetic Relaxation Dynamics in Mononuclear Dysprosium(III) Compounds with Charge Density.","Inorganic chemistry","2016","55","11","5398","5404","10.1021/acs.inorgchem.6b00410","","","0.71073","MoKα","","0.0958","0.0495","","","0.1084","0.1286","","","","","","1.061","","","","has coordinates","232410","2020-10-21","18:00:00",""
"4347635","12.286","0.0005","19.4333","0.0008","16.7538","0.0006","90","","102.943","0.003","90","","3898.5","0.3","296","2","296","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C22 H46 Co2 N O21 P6 Y -","- C22 H46 Co2 N O21 P6 Y -","- C88 H184 Co8 N4 O84 P24 Y4 -","4","1","","Lim, Kwang Soo; Baldoví, José J; Lee, Woo Ram; Song, Jeong Hwa; Yoon, Sung Won; Suh, Byoung Jin; Coronado, Eugenio; Gaita-Ariño, Alejandro; Hong, Chang Seop","Switching of Slow Magnetic Relaxation Dynamics in Mononuclear Dysprosium(III) Compounds with Charge Density.","Inorganic chemistry","2016","55","11","5398","5404","10.1021/acs.inorgchem.6b00410","","","0.71073","MoKα","","0.1678","0.0693","","","0.1299","0.1641","","","","","","0.94","","","","has coordinates","232410","2020-10-21","18:00:00",""
"4347636","12.2922","0.0005","19.4442","0.0008","16.7632","0.0007","90","","102.938","0.003","90","","3904.9","0.3","296","2","296","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C22 H46 Co2 Dy0.04 N O21 P6 Y0.96 -","- C22 H46 Co2 Dy0.04 N O21 P6 Y0.96 -","- C88 H184 Co8 Dy0.16 N4 O84 P24 Y3.84 -","4","1","","Lim, Kwang Soo; Baldoví, José J; Lee, Woo Ram; Song, Jeong Hwa; Yoon, Sung Won; Suh, Byoung Jin; Coronado, Eugenio; Gaita-Ariño, Alejandro; Hong, Chang Seop","Switching of Slow Magnetic Relaxation Dynamics in Mononuclear Dysprosium(III) Compounds with Charge Density.","Inorganic chemistry","2016","55","11","5398","5404","10.1021/acs.inorgchem.6b00410","","","0.71073","MoKα","","0.1625","0.0608","","","0.1246","0.163","","","","","","0.942","","","","has coordinates","232410","2020-10-21","18:00:00",""
"4347637","16.847","0.004","6.2741","0.0016","15.814","0.004","90","","106.321","0.004","90","","1604.2","0.7","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C9 H21 Co N O10 P2 -","- C9 H21 Co N O10 P2 -","- C36 H84 Co4 N4 O40 P8 -","4","1","","Cai, Zhong-Sheng; Bao, Song-Song; Wang, Xi-Zhang; Hu, Zheng; Zheng, Li-Min","Multiple-Step Humidity-Induced Single-Crystal to Single-Crystal Transformations of a Cobalt Phosphonate: Structural and Proton Conductivity Studies.","Inorganic chemistry","2016","55","7","3706","3712","10.1021/acs.inorgchem.6b00413","","","0.71073","MoKα","","0.1136","0.0804","","","0.2027","0.2209","","","","","","1.001","","","","has coordinates","232411","2020-10-21","18:00:00",""
"4347638","16.261","0.005","6.2566","0.0019","15.639","0.005","90","","114.182","0.004","90","","1451.5","0.8","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C18 H40 Co2 N2 O17 P4 -","- C18 H40 Co2 N2 O17 P4 -","- C36 H80 Co4 N4 O34 P8 -","2","0.5","","Cai, Zhong-Sheng; Bao, Song-Song; Wang, Xi-Zhang; Hu, Zheng; Zheng, Li-Min","Multiple-Step Humidity-Induced Single-Crystal to Single-Crystal Transformations of a Cobalt Phosphonate: Structural and Proton Conductivity Studies.","Inorganic chemistry","2016","55","7","3706","3712","10.1021/acs.inorgchem.6b00413","","","0.71073","MoKα","","0.1192","0.0952","","","0.2486","0.2666","","","","","","1.004","","","","has coordinates,has disorder","232412","2020-10-21","18:00:00",""
"4347639","34.454","0.011","6.358","0.002","15.408","0.005","90","","110.757","0.005","90","","3156.2","1.7","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C19 H41 Co2 N5 O16 P4 -","- C19 H41 Co2 N5 O16 P4 -","- C76 H164 Co8 N20 O64 P16 -","4","0.5","","Cai, Zhong-Sheng; Bao, Song-Song; Wang, Xi-Zhang; Hu, Zheng; Zheng, Li-Min","Multiple-Step Humidity-Induced Single-Crystal to Single-Crystal Transformations of a Cobalt Phosphonate: Structural and Proton Conductivity Studies.","Inorganic chemistry","2016","55","7","3706","3712","10.1021/acs.inorgchem.6b00413","","","0.71073","MoKα","","0.0376","0.0312","","","0.0811","0.0848","","","","","","1.004","","","","has coordinates","232413","2020-10-21","18:00:00",""
"4347640","17.425","0.004","10.684","0.002","15.272","0.003","90","","96.54","0.03","90","","2824.7","1","120","2","120","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C25 H31 Cl2 N5 Ni O10 -","- C25 H31 Cl2 N5 Ni O10 -","- C100 H124 Cl8 N20 Ni4 O40 -","4","1","","Antal, Peter; Drahoš, Bohuslav; Herchel, Radovan; Trávníček, Zdeněk","Late First-Row Transition-Metal Complexes Containing a 2-Pyridylmethyl Pendant-Armed 15-Membered Macrocyclic Ligand. Field-Induced Slow Magnetic Relaxation in a Seven-Coordinate Cobalt(II) Compound.","Inorganic chemistry","2016","55","12","5957","5972","10.1021/acs.inorgchem.6b00415","","","0.71073","MoKα","","0.0273","0.0257","","","0.0628","0.0637","","","","","","1.008","","","","has coordinates","232414","2020-10-21","18:00:00",""
"4347641","18.3758","0.0009","9.1185","0.0004","18.809","0.0008","90","","113.237","0.001","90","","2896","0.2","120","2","120","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C25 H31 Cl2 Fe N5 O10 -","- C25 H31 Cl2 Fe N5 O10 -","- C100 H124 Cl8 Fe4 N20 O40 -","4","2","","Antal, Peter; Drahoš, Bohuslav; Herchel, Radovan; Trávníček, Zdeněk","Late First-Row Transition-Metal Complexes Containing a 2-Pyridylmethyl Pendant-Armed 15-Membered Macrocyclic Ligand. Field-Induced Slow Magnetic Relaxation in a Seven-Coordinate Cobalt(II) Compound.","Inorganic chemistry","2016","55","12","5957","5972","10.1021/acs.inorgchem.6b00415","","","0.71073","MoKα","","0.031","0.0274","","","0.0664","0.0681","","","","","","1.058","","","","has coordinates","232415","2020-10-21","18:00:00",""
"4347642","18.306","0.0011","9.1269","0.0005","18.7659","0.001","90","","113.5","0.002","90","","2875.3","0.3","120","2","120","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C25 H31 Cl2 Co N5 O10 -","- C25 H31 Cl2 Co N5 O10 -","- C100 H124 Cl8 Co4 N20 O40 -","4","2","","Antal, Peter; Drahoš, Bohuslav; Herchel, Radovan; Trávníček, Zdeněk","Late First-Row Transition-Metal Complexes Containing a 2-Pyridylmethyl Pendant-Armed 15-Membered Macrocyclic Ligand. Field-Induced Slow Magnetic Relaxation in a Seven-Coordinate Cobalt(II) Compound.","Inorganic chemistry","2016","55","12","5957","5972","10.1021/acs.inorgchem.6b00415","","","0.71073","MoKα","","0.0424","0.0329","","","0.073","0.0777","","","","","","1.047","","","","has coordinates","232416","2020-10-21","18:00:00",""
"4347643","18.4837","0.0011","9.1361","0.0005","18.7481","0.0011","90","","113.011","0.001","90","","2914.1","0.3","120","2","120","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C25 H31 Cl2 Mn N5 O10 -","- C25 H31 Cl2 Mn N5 O10 -","- C100 H124 Cl8 Mn4 N20 O40 -","4","2","","Antal, Peter; Drahoš, Bohuslav; Herchel, Radovan; Trávníček, Zdeněk","Late First-Row Transition-Metal Complexes Containing a 2-Pyridylmethyl Pendant-Armed 15-Membered Macrocyclic Ligand. Field-Induced Slow Magnetic Relaxation in a Seven-Coordinate Cobalt(II) Compound.","Inorganic chemistry","2016","55","12","5957","5972","10.1021/acs.inorgchem.6b00415","","","0.71073","MoKα","","0.0951","0.0656","","","0.1449","0.1583","","","","","","1.04","","","","has coordinates","232417","2020-10-21","18:00:00",""
"4347644","6.1891","0.0003","12.1423","0.0009","15.9337","0.0009","106.36","0.003","97.182","0.003","93.344","0.003","1134.4","0.12","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","","","- C25 H31 N5 O2 -","- C25 H31 N5 O2 -","- C50 H62 N10 O4 -","2","1","","Antal, Peter; Drahoš, Bohuslav; Herchel, Radovan; Trávníček, Zdeněk","Late First-Row Transition-Metal Complexes Containing a 2-Pyridylmethyl Pendant-Armed 15-Membered Macrocyclic Ligand. Field-Induced Slow Magnetic Relaxation in a Seven-Coordinate Cobalt(II) Compound.","Inorganic chemistry","2016","55","12","5957","5972","10.1021/acs.inorgchem.6b00415","","","0.71073","MoKα","","0.1051","0.063","","","0.1226","0.137","","","","","","1.067","","","","has coordinates","232418","2020-10-21","18:00:00",""
"4347645","9.7677","0.0005","10.613","0.0006","15.3827","0.0008","80.106","0.002","84.709","0.002","65.812","0.002","1432.58","0.13","120","2","120","2","","","","","","","","6","P 1","P 1","1","","","","- C25 H31 Cl2 Cu N5 O10 -","- C25 H31 Cl2 Cu N5 O10 -","- C50 H62 Cl4 Cu2 N10 O20 -","2","2","","Antal, Peter; Drahoš, Bohuslav; Herchel, Radovan; Trávníček, Zdeněk","Late First-Row Transition-Metal Complexes Containing a 2-Pyridylmethyl Pendant-Armed 15-Membered Macrocyclic Ligand. Field-Induced Slow Magnetic Relaxation in a Seven-Coordinate Cobalt(II) Compound.","Inorganic chemistry","2016","55","12","5957","5972","10.1021/acs.inorgchem.6b00415","","","0.71073","MoKα","","0.0459","0.0372","","","0.0835","0.0873","","","","","","1.093","","","","has coordinates","232419","2020-10-21","18:00:00",""
"4347646","12.6873","0.0004","15.5411","0.0004","46.6493","0.0018","90","","90","","90","","9198.1","0.5","133","2","133","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C50 H36 F12 N8 P2 Ru -","- C50 H36 F12 N8 P2 Ru -","- C400 H288 F96 N64 P16 Ru8 -","8","1","","Schlotthauer, Tina; Suchland, Benedikt; Görls, Helmar; Parada, Giovanny A.; Hammarström, Leif; Schubert, Ulrich S.; Jäger, Michael","Aryl-Decorated Ru(II) Polypyridyl-type Photosensitizer Approaching NIR Emission with Microsecond Excited State Lifetimes.","Inorganic chemistry","2016","55","11","5405","5416","10.1021/acs.inorgchem.6b00420","","","0.71073","MoKα","","0.0591","0.0391","","","0.0819","0.09","","","","","","1.034","","","","has coordinates,has disorder","232420","2020-10-21","18:00:00",""
"4347647","11.5681","0.0003","22.808","0.0005","20.9948","0.0005","90","","98.16","0.001","90","","5483.3","0.2","133","2","133","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C51 H43 Br Cl4 F12 N6 P2 Ru -","- C51 H43 Br Cl4 F12 N6 P2 Ru -","- C204 H172 Br4 Cl16 F48 N24 P8 Ru4 -","4","1","","Schlotthauer, Tina; Suchland, Benedikt; Görls, Helmar; Parada, Giovanny A.; Hammarström, Leif; Schubert, Ulrich S.; Jäger, Michael","Aryl-Decorated Ru(II) Polypyridyl-type Photosensitizer Approaching NIR Emission with Microsecond Excited State Lifetimes.","Inorganic chemistry","2016","55","11","5405","5416","10.1021/acs.inorgchem.6b00420","","","0.71073","MoKα","","0.0841","0.0644","","","0.1482","0.1627","","","","","","1.064","","","","has coordinates,has disorder","232420","2020-10-21","18:00:00",""
"4347648","10.5646","0.0004","22.227","0.0009","19.9388","0.0008","90","","104.882","0.002","90","","4525","0.3","133","2","133","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C33 H34 F12 N6 O P2 Ru -","- C33 H34 F12 N6 O P2 Ru -","- C132 H136 F48 N24 O4 P8 Ru4 -","4","1","","Schlotthauer, Tina; Suchland, Benedikt; Görls, Helmar; Parada, Giovanny A.; Hammarström, Leif; Schubert, Ulrich S.; Jäger, Michael","Aryl-Decorated Ru(II) Polypyridyl-type Photosensitizer Approaching NIR Emission with Microsecond Excited State Lifetimes.","Inorganic chemistry","2016","55","11","5405","5416","10.1021/acs.inorgchem.6b00420","","","0.71073","MoKα","","0.0936","0.0764","","","0.2224","0.237","","","","","","1.052","","","","has coordinates","232420","2020-10-21","18:00:00",""
"4347649","8.9836","0.0002","10.5918","0.0004","32.7196","0.0014","90","","90","","90","","3113.35","0.19","298","2","298","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","LIFM-40","","","- C36 H34 Ca N2 O6 -","- C36 H34 Ca N2 O6 -","- C144 H136 Ca4 N8 O24 -","4","1","","Wei, Zhang-Wen; Chen, Cheng-Xia; Zheng, Shao-Ping; Wang, Hai-Ping; Fan, Ya-Nan; Ai, Ye-Ye; Pan, Mei; Su, Cheng-Yong","Rigidifying Effect of Metal-Organic Frameworks: Protect the Conformation, Packing Mode, and Blue Fluorescence of a Soft Piezofluorochromic Compound under Pressures up to 8 MPa.","Inorganic chemistry","2016","55","15","7311","7313","10.1021/acs.inorgchem.6b00429","","","1.54184","CuKα","","0.095","0.0897","","","0.2369","0.2422","","","","","","1.087","","","","has coordinates","232421","2020-10-21","18:00:00",""
"4347650","25.853","0.004","8.0214","0.0011","16.439","0.003","90","","91.689","0.001","90","","3407.6","0.9","113","","113","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C40 H42 N4 Zn -","- C40 H42 N4 Zn -","- C160 H168 N16 Zn4 -","4","1","","Tsuchiya, Mizuho; Sakamoto, Ryota; Shimada, Masaki; Yamanoi, Yoshinori; Hattori, Yohei; Sugimoto, Kunihisa; Nishibori, Eiji; Nishihara, Hiroshi","Bis(dipyrrinato)zinc(II) Complexes: Emission in the Solid State.","Inorganic chemistry","2016","55","12","5732","5734","10.1021/acs.inorgchem.6b00431","","","0.7107","MoKα","","","0.0409","","","","0.1166","","","","","","1.057","","","","has coordinates","232422","2020-10-21","18:00:00",""
"4347651","18.4026","0.0004","18.4026","0.0004","24.6441","0.0009","90","","90","","120","","7227.7","0.3","113","","113","","","","","","","","","5","P -3 c 1","-P 3 2""c","165","","","","- C53 H66 N4 O Zn -","- C54 H66 N4 O2 Zn -","- C324 H396 N24 O12 Zn6 -","6","0.5","","Tsuchiya, Mizuho; Sakamoto, Ryota; Shimada, Masaki; Yamanoi, Yoshinori; Hattori, Yohei; Sugimoto, Kunihisa; Nishibori, Eiji; Nishihara, Hiroshi","Bis(dipyrrinato)zinc(II) Complexes: Emission in the Solid State.","Inorganic chemistry","2016","55","12","5732","5734","10.1021/acs.inorgchem.6b00431","","","0.7107","MoKα","","","0.0448","","","","0.1272","","","","","","1.08","","","","has coordinates","232422","2020-10-21","18:00:00",""
"4347652","11.3092","0.0016","13.973","0.002","16.046","0.003","102.672","0.008","107.805","0.008","94.872","0.007","2323.6","0.7","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C53 H44 Cl6 N4 Zn -","- C53 H44 Cl6 N4 Zn -","- C106 H88 Cl12 N8 Zn2 -","2","1","","Tsuchiya, Mizuho; Sakamoto, Ryota; Shimada, Masaki; Yamanoi, Yoshinori; Hattori, Yohei; Sugimoto, Kunihisa; Nishibori, Eiji; Nishihara, Hiroshi","Bis(dipyrrinato)zinc(II) Complexes: Emission in the Solid State.","Inorganic chemistry","2016","55","12","5732","5734","10.1021/acs.inorgchem.6b00431","","","0.354","Synchrotron","","","0.1136","","","","0.3625","","","","","","1.294","","","","has coordinates","232422","2020-10-21","18:00:00",""
"4347653","25.18","0.01","20.397","0.008","18.983","0.007","90","","98.106","0.005","90","","9652","6","113","","113","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C56 H52 Cl4 N4 Zn -","- C56 H50 Cl4 N4 Zn -","- C448 H400 Cl32 N32 Zn8 -","8","1","","Tsuchiya, Mizuho; Sakamoto, Ryota; Shimada, Masaki; Yamanoi, Yoshinori; Hattori, Yohei; Sugimoto, Kunihisa; Nishibori, Eiji; Nishihara, Hiroshi","Bis(dipyrrinato)zinc(II) Complexes: Emission in the Solid State.","Inorganic chemistry","2016","55","12","5732","5734","10.1021/acs.inorgchem.6b00431","","","0.7107","MoKα","","","0.0696","","","","0.2237","","","","","","1.039","","","","has coordinates","232422","2020-10-21","18:00:00",""
"4347654","19.6231","0.0004","8.60965","0.00016","30.9024","0.0006","90","","103.976","0.008","90","","5066.3","0.2","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C63 H64 Cl2 N4 Zn -","- C63 H64 Cl2 N4 Zn -","- C252 H256 Cl8 N16 Zn4 -","4","1","","Tsuchiya, Mizuho; Sakamoto, Ryota; Shimada, Masaki; Yamanoi, Yoshinori; Hattori, Yohei; Sugimoto, Kunihisa; Nishibori, Eiji; Nishihara, Hiroshi","Bis(dipyrrinato)zinc(II) Complexes: Emission in the Solid State.","Inorganic chemistry","2016","55","12","5732","5734","10.1021/acs.inorgchem.6b00431","","","0.354","synchrotron","","","0.0407","","","","0.1092","","","","","","1.056","","","","has coordinates","232422","2020-10-21","18:00:00",""
"4347655","48.682","0.015","11.495","0.004","21.478","0.007","90","","103.158","0.005","90","","11704","7","113","","113","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C46 H54 N4 Zn -","- C46 H54 N4 Zn -","- C552 H648 N48 Zn12 -","12","1.5","","Tsuchiya, Mizuho; Sakamoto, Ryota; Shimada, Masaki; Yamanoi, Yoshinori; Hattori, Yohei; Sugimoto, Kunihisa; Nishibori, Eiji; Nishihara, Hiroshi","Bis(dipyrrinato)zinc(II) Complexes: Emission in the Solid State.","Inorganic chemistry","2016","55","12","5732","5734","10.1021/acs.inorgchem.6b00431","","","0.7107","MoKα","","","0.0737","","","","0.1863","","","","","","1.095","","","","has coordinates","232422","2020-10-21","18:00:00",""
"4347656","61.25","0.02","11.159","0.004","21.726","0.008","90","","107.814","0.005","90","","14138","9","93","","93","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C54 H70 N4 Zn -","- C54 H64 N4 Zn -","- C648 H768 N48 Zn12 -","12","1.5","","Tsuchiya, Mizuho; Sakamoto, Ryota; Shimada, Masaki; Yamanoi, Yoshinori; Hattori, Yohei; Sugimoto, Kunihisa; Nishibori, Eiji; Nishihara, Hiroshi","Bis(dipyrrinato)zinc(II) Complexes: Emission in the Solid State.","Inorganic chemistry","2016","55","12","5732","5734","10.1021/acs.inorgchem.6b00431","","","0.71075","MoKα","","","0.1","","","","0.2287","","","","","","1.1","","","","has coordinates","232422","2020-10-21","18:00:00",""
"4347657","14.0845","0.00019","14.0845","0.00019","44.2036","0.001","90","","90","","90","","8768.8","0.3","173","0.1","173","0.1","","","","","","","","5","I 41/a :2","-I 4ad","88","","","","- C36 H44 Cu N14 O16 -","- C36 H44 Cu N14 O16 -","- C288 H352 Cu8 N112 O128 -","8","0.5","","Wang, Ying; Meng, Shan-Shan; Lin, Peng-Xiang; Xiao, Yi-Wei; Ma, Qing-Qing; Xie, Qiong; Chen, Yuan-Yuan; Zhao, Xiao-Jun; Chen, Jun","Solvent-Induced Single Crystal-Single Crystal Transformation of an Interpenetrated Three-Dimensional Copper Triazole Catalytic Framework.","Inorganic chemistry","2016","55","9","4069","4071","10.1021/acs.inorgchem.6b00433","","x-ray","1.54184","CuKα","","0.0438","0.041","","","0.1066","0.1089","","","","","","1.046","","","","has coordinates","232423","2020-10-21","18:00:00",""
"4347658","12.5757","0.0009","13.4705","0.001","14.2408","0.0011","99.641","0.001","95.823","0.002","117.245","0.001","2070.4","0.3","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C78 H78 Cu2 N30 O22 -","- C78 H66 Cu2 N30 O22 -","- C78 H66 Cu2 N30 O22 -","1","0.5","","Wang, Ying; Meng, Shan-Shan; Lin, Peng-Xiang; Xiao, Yi-Wei; Ma, Qing-Qing; Xie, Qiong; Chen, Yuan-Yuan; Zhao, Xiao-Jun; Chen, Jun","Solvent-Induced Single Crystal-Single Crystal Transformation of an Interpenetrated Three-Dimensional Copper Triazole Catalytic Framework.","Inorganic chemistry","2016","55","9","4069","4071","10.1021/acs.inorgchem.6b00433","","","0.71073","MoKα","","0.0788","0.0537","","","0.1254","0.1375","","","","","","1.019","","","","has coordinates,has disorder","232424","2020-10-21","18:00:00",""
"4347659","44.902","0.009","40.884","0.008","38.996","0.008","90","","95.497","0.003","90","","71259","2","291","2","291","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C98 H108 F24 N12 P4 Ru2 S4 -","- C98 H108 F24 N12 P4 Ru2 S4 -","- C1568 H1728 F384 N192 P64 Ru32 S64 -","16","2","","Chen, Bin; Lv, Zhong-Peng; Hua, Carol; Leong, Chanel F.; Tuna, Floriana; D'Alessandro, Deanna M; Collison, David; Zuo, Jing-Lin","Dinuclear Ruthenium Complex Based on a π-Extended Bridging Ligand with Redox-Active Tetrathiafulvalene and 1,10-Phenanthroline Units.","Inorganic chemistry","2016","55","9","4606","4615","10.1021/acs.inorgchem.6b00437","","","0.71073","MoKα","","0.077","0.0507","","","0.1209","0.1269","","","","","","1.037","","","","has coordinates","232425","2020-10-21","18:00:00",""
"4347660","21.5781","0.0011","10.6543","0.0005","17.4825","0.0008","90","","112.232","0.001","90","","3720.4","0.3","80","2","80","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C36 H56 Fe2 N6 P2 -","- C36 H56 Fe2 N6 P2 -","- C144 H224 Fe8 N24 P8 -","4","0.5","","Pick, Fraser S.; Thompson, John R.; Savard, Didier S.; Leznoff, Daniel B.; Fryzuk, Michael D.","Synthesis of Iron and Cobalt Complexes of a Ferrocene-Linked Diphosphinoamide Ligand and Characterization of a Weak Iron-Cobalt Interaction.","Inorganic chemistry","2016","55","8","4059","4067","10.1021/acs.inorgchem.6b00443","","","0.71073","MoKα","","0.0568","0.0348","","","0.0785","0.0872","","","","","","1.023","","","","has coordinates","232426","2020-10-21","18:00:00",""
"4347661","10.3912","0.0008","12.2273","0.001","19.1171","0.0015","90","","96.112","0.002","90","","2415.1","0.3","80","2","80","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C44 H72 Fe4 N4 P4 -","- C44 H72 Fe4 N4 P4 -","- C88 H144 Fe8 N8 P8 -","2","0.5","","Pick, Fraser S.; Thompson, John R.; Savard, Didier S.; Leznoff, Daniel B.; Fryzuk, Michael D.","Synthesis of Iron and Cobalt Complexes of a Ferrocene-Linked Diphosphinoamide Ligand and Characterization of a Weak Iron-Cobalt Interaction.","Inorganic chemistry","2016","55","8","4059","4067","10.1021/acs.inorgchem.6b00443","","","0.71073","MoKα","","0.0292","0.0237","","","0.0599","0.0634","","","","","","1.026","","","","has coordinates","232427","2020-10-21","18:00:00",""
"4347662","9.969","0.005","12.244","0.005","19.17","0.005","90","","98.468","0.005","90","","2314.4","1.6","90","2","90","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C22 H36 Co Fe N2 P2 -","- C22 H36 Co Fe N2 P2 -","- C88 H144 Co4 Fe4 N8 P8 -","4","1","","Pick, Fraser S.; Thompson, John R.; Savard, Didier S.; Leznoff, Daniel B.; Fryzuk, Michael D.","Synthesis of Iron and Cobalt Complexes of a Ferrocene-Linked Diphosphinoamide Ligand and Characterization of a Weak Iron-Cobalt Interaction.","Inorganic chemistry","2016","55","8","4059","4067","10.1021/acs.inorgchem.6b00443","","","0.71073","MoKα","","0.0601","0.0354","","","0.0674","0.0751","","","","","","1.014","","","","has coordinates","232428","2020-10-21","18:00:00",""
"4347663","12.7324","0.0005","7.3646","0.0003","12.9803","0.0005","90","","90","","90","","1217.15","0.08","133","2","133","2","","","","","","","","7","P n m a","-P 2ac 2n","62","","","","- C8 H5 Fe I N6 Ni O -","- C8 H5 Fe I N6 Ni O -","- C32 H20 Fe4 I4 N24 Ni4 O4 -","4","0.5","","Kucheriv, Olesia I.; Shylin, Sergii I.; Ksenofontov, Vadim; Dechert, Sebastian; Haukka, Matti; Fritsky, Igor O.; Gural'skiy, Il'ya A.","Spin Crossover in Fe(II)-M(II) Cyanoheterobimetallic Frameworks (M = Ni, Pd, Pt) with 2-Substituted Pyrazines.","Inorganic chemistry","2016","55","10","4906","4914","10.1021/acs.inorgchem.6b00446","","","0.71073","MoKα","","0.082","0.0664","","","0.1626","0.1717","","","","","","1.003","","","","has coordinates","232429","2020-10-21","18:00:00",""
"4347664","12.9755","0.0002","7.5378","0.00013","13.2172","0.0003","90","","90","","90","","1292.73","0.04","170","2","170","2","","","","","","","","7","P n m a","-P 2ac 2n","62","","","","- C8 H5 Fe I N6 O Pd -","- C8 H5 Fe I N6 O Pd -","- C32 H20 Fe4 I4 N24 O4 Pd4 -","4","0.5","","Kucheriv, Olesia I.; Shylin, Sergii I.; Ksenofontov, Vadim; Dechert, Sebastian; Haukka, Matti; Fritsky, Igor O.; Gural'skiy, Il'ya A.","Spin Crossover in Fe(II)-M(II) Cyanoheterobimetallic Frameworks (M = Ni, Pd, Pt) with 2-Substituted Pyrazines.","Inorganic chemistry","2016","55","10","4906","4914","10.1021/acs.inorgchem.6b00446","","","0.71073","MoKα","","0.0178","0.0163","","","0.0405","0.0413","","","","","","1.149","","","","has coordinates","232430","2020-10-21","18:00:00",""
"4347665","7.6058","0.0003","9.1866","0.0007","14.0502","0.0012","71.954","0.007","87.867","0.005","86.289","0.004","931.31","0.12","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","Complex","","- C10.75 H10.1 Fe N6.7 O Pt -","- C10.75 H10.1 Fe N6.7 O Pt -","- C21.5 H20.2 Fe2 N13.4 O2 Pt2 -","2","1","","Kucheriv, Olesia I.; Shylin, Sergii I.; Ksenofontov, Vadim; Dechert, Sebastian; Haukka, Matti; Fritsky, Igor O.; Gural'skiy, Il'ya A.","Spin Crossover in Fe(II)-M(II) Cyanoheterobimetallic Frameworks (M = Ni, Pd, Pt) with 2-Substituted Pyrazines.","Inorganic chemistry","2016","55","10","4906","4914","10.1021/acs.inorgchem.6b00446","","","0.71073","MoKα","","0.086","0.0809","","","0.2113","0.2177","","","","","","1.064","","","","has coordinates,has disorder","232431","2020-10-21","18:00:00",""
"4347666","16.7053","0.0011","7.1336","0.0004","7.328","0.0003","90","","110.358","0.005","90","","818.72","0.08","250","2","250","","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- C12 H6 Cl2 Fe N8 Ni -","- C12 H6 Cl2 Fe N8 Ni -","- C24 H12 Cl4 Fe2 N16 Ni2 -","2","0.25","","Kucheriv, Olesia I.; Shylin, Sergii I.; Ksenofontov, Vadim; Dechert, Sebastian; Haukka, Matti; Fritsky, Igor O.; Gural'skiy, Il'ya A.","Spin Crossover in Fe(II)-M(II) Cyanoheterobimetallic Frameworks (M = Ni, Pd, Pt) with 2-Substituted Pyrazines.","Inorganic chemistry","2016","55","10","4906","4914","10.1021/acs.inorgchem.6b00446","","","0.71073","MoKα","","0.0419","0.0295","","","0.0603","0.0659","","","","","","1.062","","","","has coordinates","232432","2020-10-21","18:00:00",""
"4347667","12.91814","0.00009","7.52763","0.00006","13.28367","0.00011","90","","90","","90","","1291.74","0.017","170","2","170","2","","","","","","","","7","P n m a","-P 2ac 2n","62","","","","- C8 H5 Fe I N6 O Pt -","- C8 H5 Fe I N6 O Pt -","- C32 H20 Fe4 I4 N24 O4 Pt4 -","4","0.5","","Kucheriv, Olesia I.; Shylin, Sergii I.; Ksenofontov, Vadim; Dechert, Sebastian; Haukka, Matti; Fritsky, Igor O.; Gural'skiy, Il'ya A.","Spin Crossover in Fe(II)-M(II) Cyanoheterobimetallic Frameworks (M = Ni, Pd, Pt) with 2-Substituted Pyrazines.","Inorganic chemistry","2016","55","10","4906","4914","10.1021/acs.inorgchem.6b00446","","","0.71073","MoKα","","0.0211","0.0199","","","0.0454","0.0458","","","","","","1.31","","","","has coordinates","232433","2020-10-21","18:00:00",""
"4347668","16.511","0.002","6.9222","0.001","7.2033","0.0007","90","","112.05","0.012","90","","763.07","0.17","170","2","170","","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- C12 H6 Cl2 Fe N8 Ni -","- C12 H6 Cl2 Fe N8 Ni -","- C24 H12 Cl4 Fe2 N16 Ni2 -","2","0.25","","Kucheriv, Olesia I.; Shylin, Sergii I.; Ksenofontov, Vadim; Dechert, Sebastian; Haukka, Matti; Fritsky, Igor O.; Gural'skiy, Il'ya A.","Spin Crossover in Fe(II)-M(II) Cyanoheterobimetallic Frameworks (M = Ni, Pd, Pt) with 2-Substituted Pyrazines.","Inorganic chemistry","2016","55","10","4906","4914","10.1021/acs.inorgchem.6b00446","","","0.71073","MoKα","","0.0508","0.0367","","","0.0843","0.0915","","","","","","1.105","","","","has coordinates","232434","2020-10-21","18:00:00",""
"4347669","9.0564","0.0003","20.6815","0.0008","14.3598","0.0005","90","","106.036","0.002","90","","2584.93","0.16","150","1","150","1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","usu224","","","- C27 H21 Cl2 Cu N3 O6 -","- C27 H21 Cl2 Cu N3 O6 -","- C108 H84 Cl8 Cu4 N12 O24 -","4","1","","Saraf, Sushma L.; Miłaczewska, Anna; Borowski, Tomasz; James, Christopher D.; Tierney, David L.; Popova, Marina; Arif, Atta M.; Berreau, Lisa M.","Anion Effects in Oxidative Aliphatic Carbon-Carbon Bond Cleavage Reactions of Cu(II) Chlorodiketonate Complexes.","Inorganic chemistry","2016","55","14","6916","6928","10.1021/acs.inorgchem.6b00456","","","0.71073","MoKα","","0.0479","0.0342","","","0.0817","0.087","","","","","","1.033","","","","has coordinates","232435","2020-10-21","18:00:00",""
"4347670","11.0622","0.0003","24.4722","0.0006","12.2273","0.0003","90","","100.617","0.001","90","","3253.46","0.14","150","1","150","1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","usu225","","","- C37 H31 Cl Cu N4 O6 -","- C37 H31 Cl Cu N4 O6 -","- C148 H124 Cl4 Cu4 N16 O24 -","4","1","","Saraf, Sushma L.; Miłaczewska, Anna; Borowski, Tomasz; James, Christopher D.; Tierney, David L.; Popova, Marina; Arif, Atta M.; Berreau, Lisa M.","Anion Effects in Oxidative Aliphatic Carbon-Carbon Bond Cleavage Reactions of Cu(II) Chlorodiketonate Complexes.","Inorganic chemistry","2016","55","14","6916","6928","10.1021/acs.inorgchem.6b00456","","","0.71073","MoKα","","0.036","0.0284","","","0.067","0.0708","","","","","","1.03","","","","has coordinates","232435","2020-10-21","18:00:00",""
"4347671","14.4362","0.0011","14.6137","0.0011","15.6767","0.0011","66.592","0.003","75.69","0.003","79.75","0.003","2929","0.4","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C42.75 H92.75 Al2 O16 Si3 -","- C42.75 H92.75 Al2 O16 Si3 -","- C85.5 H185.5 Al4 O32 Si6 -","2","1","","Stelzer, Adrian C.; Hrobárik, Peter; Braun, Thomas; Kaupp, Martin; Braun-Cula, Beatrice","Completing the Heterocubane Family [Cp*AlE]4 (E = O, S, Se, and Te) by Selective Oxygenation and Sulfuration of [Cp*Al]4: Density Functional Theory Calculations of [Cp*AlE]4 and Reactivity of [Cp*AlO]4 toward Hydrolysis.","Inorganic chemistry","2016","55","10","4915","4923","10.1021/acs.inorgchem.6b00462","","","0.71073","MoKα","","0.0508","0.044","","","0.1171","0.1229","","","","","","1.049","","","","has coordinates,has disorder","232436","2020-10-21","18:00:00",""
"4347672","13.8417","0.0017","26.294","0.003","21.221","0.003","90","","100.622","0.004","90","","7591.1","1.7","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C100 H226 Al8 O52 Si8 -","- C100 H226 Al8 O52 Si8 -","- C200 H452 Al16 O104 Si16 -","2","0.5","","Stelzer, Adrian C.; Hrobárik, Peter; Braun, Thomas; Kaupp, Martin; Braun-Cula, Beatrice","Completing the Heterocubane Family [Cp*AlE]4 (E = O, S, Se, and Te) by Selective Oxygenation and Sulfuration of [Cp*Al]4: Density Functional Theory Calculations of [Cp*AlE]4 and Reactivity of [Cp*AlO]4 toward Hydrolysis.","Inorganic chemistry","2016","55","10","4915","4923","10.1021/acs.inorgchem.6b00462","","","0.71073","MoKα","","0.155","0.1044","","","0.2753","0.3272","","","","","","0.993","","","","has coordinates,has disorder","232436","2020-10-21","18:00:00",""
"4347673","10.1685","0.0005","19.1118","0.0011","21.4271","0.0011","73.3783","0.0016","79.7478","0.0014","74.8793","0.0017","3827.8","0.4","100","2","100","2","","","","","","","synthetical product","7","P -1","-P 1","2","catena-{tri-acetonitrile-di(mu2-aqua)-bis[mu2-hydrido-2,2',2''-boranetri- yltris(6-tert-butylpyridazine-3(2H)-thione)]-di-potassium} acetonitrile solvate (1:1)","catena-{tri-acetonitrile-di(mu2-aqua)-bis[mu2-hydrido-2,2',2''-boranetri- yltris(6-tert-butylpyridazine-3(2H)-thione)]-di-potassium} acetonitrile solvate (1:1)","","- C62 H96 B2 K2 N16 O2 S6 -","- C62 H96 B2 K2 N16 O2 S6 -","- C124 H192 B4 K4 N32 O4 S12 -","2","1","","Holler, Stefan; Tüchler, Michael; Belaj, Ferdinand; Veiros, Luis F.; Kirchner, Karl; Mösch-Zanetti, Nadia C","Thiopyridazine-Based Copper Boratrane Complexes Demonstrating the Z-type Nature of the Ligand.","Inorganic chemistry","2016","55","10","4980","4991","10.1021/acs.inorgchem.6b00464","","","0.71073","MoKα","","0.057","0.0389","","","0.0909","0.0985","","","","","","1.032","","","","has coordinates","232437","2020-10-21","18:00:00",""
"4347674","9.7437","0.0004","22.9874","0.0009","18.5472","0.0007","90","","99.4121","0.0013","90","","4098.3","0.3","100","2","100","2","","","","","","","synthetical product","7","P 1 21/c 1","-P 2ybc","14","(2,2',2""-boranetriyltris(6-tert-butyl-4-methylpyrida- zine-3(2H)-thione))-chloro-copper(I) trichloromethane solvate (1:2)","(2,2',2""-boranetriyltris(6-tert-butyl-4-methylpyrida- zine-3(2H)-thione))-chloro-copper(I) trichloromethane solvate (1:2)","","- C29 H41 B Cl7 Cu N6 S3 -","- C29 H41 B Cl7 Cu N6 S3 -","- C116 H164 B4 Cl28 Cu4 N24 S12 -","4","1","","Holler, Stefan; Tüchler, Michael; Belaj, Ferdinand; Veiros, Luis F.; Kirchner, Karl; Mösch-Zanetti, Nadia C","Thiopyridazine-Based Copper Boratrane Complexes Demonstrating the Z-type Nature of the Ligand.","Inorganic chemistry","2016","55","10","4980","4991","10.1021/acs.inorgchem.6b00464","","","0.71073","MoKα","","0.0562","0.047","","","0.1264","0.1299","","","","","","1.072","","","","has coordinates","232437","2020-10-21","18:00:00",""
"4347675","9.7806","0.0004","12.2287","0.0005","15.9639","0.0007","108.487","0.0018","96.4871","0.0019","98.3205","0.0018","1765.89","0.13","100","2","100","2","","","","","","","synthetical product","8","P -1","-P 1","2","(2,2',2""-boranetriyltris(6-tert-butylpyridazine-3(2H)-thione))- (trifluoromethanesulfonato)-copper(I)","(2,2',2""-boranetriyltris(6-tert-butylpyridazine-3(2H)-thione))- (trifluoromethanesulfonato)-copper(I)","","- C28 H39 B Cu F3 N6 O3 S4 -","- C28 H39 B Cu F3 N6 O3 S4 -","- C56 H78 B2 Cu2 F6 N12 O6 S8 -","2","1","","Holler, Stefan; Tüchler, Michael; Belaj, Ferdinand; Veiros, Luis F.; Kirchner, Karl; Mösch-Zanetti, Nadia C","Thiopyridazine-Based Copper Boratrane Complexes Demonstrating the Z-type Nature of the Ligand.","Inorganic chemistry","2016","55","10","4980","4991","10.1021/acs.inorgchem.6b00464","","","0.71073","MoKα","","0.0355","0.0291","","","0.0732","0.0767","","","","","","1.05","","","","has coordinates,has disorder","232437","2020-10-21","18:00:00",""
"4347676","10.0404","0.0005","13.6851","0.0007","14.7632","0.0007","78.4903","0.0013","81.8808","0.0014","79.6641","0.0015","1943.74","0.17","100","2","100","2","","","","","","","synthetical product","8","P -1","-P 1","2","(acetonitrile)-(2,2',2""-boranetriyltris(6-tert-butylpyridazi- ne-3(2H)-thione))-copper(I) triflate","(acetonitrile)-(2,2',2""-boranetriyltris(6-tert-butylpyridazi- ne-3(2H)-thione))-copper(I) trifluoromethanesulfonate","","- C30 H42 B Cu F3 N7 O3 S4 -","- C30 H42 B Cu F3 N7 O3 S4 -","- C60 H84 B2 Cu2 F6 N14 O6 S8 -","2","1","","Holler, Stefan; Tüchler, Michael; Belaj, Ferdinand; Veiros, Luis F.; Kirchner, Karl; Mösch-Zanetti, Nadia C","Thiopyridazine-Based Copper Boratrane Complexes Demonstrating the Z-type Nature of the Ligand.","Inorganic chemistry","2016","55","10","4980","4991","10.1021/acs.inorgchem.6b00464","","","0.71073","MoKα","","0.0472","0.0323","","","0.0777","0.0833","","","","","","1.031","","","","has coordinates","232437","2020-10-21","18:00:00",""
"4347677","9.6744","0.0003","14.0734","0.0005","14.263","0.0004","106.093","0.0014","93.2862","0.0012","102.747","0.0013","1805.24","0.1","100","2","100","2","","","","","","","synthetical product","6","P -1","-P 1","2","(2,2',2""-boranetriyl-tris(6-tert-butylpyridazine-3(2H)-thione))-(thiocya- nato-N)-copper(I) toluene solvate (2:1)","(2,2',2""-boranetriyl-tris(6-tert-butylpyridazine-3(2H)-thione))-(thiocya- nato-N)-copper(I) toluene solvate (2:1)","","- C63 H86 B2 Cu2 N14 S8 -","- C63 H86 B2 Cu2 N14 S8 -","- C63 H86 B2 Cu2 N14 S8 -","1","0.5","","Holler, Stefan; Tüchler, Michael; Belaj, Ferdinand; Veiros, Luis F.; Kirchner, Karl; Mösch-Zanetti, Nadia C","Thiopyridazine-Based Copper Boratrane Complexes Demonstrating the Z-type Nature of the Ligand.","Inorganic chemistry","2016","55","10","4980","4991","10.1021/acs.inorgchem.6b00464","","","0.71073","MoKα","","0.0369","0.0287","","","0.0725","0.0772","","","","","","1.033","","","","has coordinates,has disorder","232437","2020-10-21","18:00:00",""
"4347678","9.8606","0.0004","19.8005","0.001","18.3543","0.0008","90","","92.2761","0.0014","90","","3580.8","0.3","100","2","100","2","","","","","","","synthetical product","7","P 1 21/c 1","-P 2ybc","14","azido-(2,2',2""-boranetriyl-tris(6-tert-butylpyridazine-3(2H)-thione))-cop- per(I) dichloromethane solvate (2:1)","azido-(2,2',2""-boranetriyl-tris(6-tert-butylpyridazine-3(2H)-thione))-cop- per(I) dichloromethane solvate (2:1)","","- C55 H80 B2 Cl2 Cu2 N18 S6 -","- C55 H80 B2 Cl2 Cu2 N18 S6 -","- C110 H160 B4 Cl4 Cu4 N36 S12 -","2","0.5","","Holler, Stefan; Tüchler, Michael; Belaj, Ferdinand; Veiros, Luis F.; Kirchner, Karl; Mösch-Zanetti, Nadia C","Thiopyridazine-Based Copper Boratrane Complexes Demonstrating the Z-type Nature of the Ligand.","Inorganic chemistry","2016","55","10","4980","4991","10.1021/acs.inorgchem.6b00464","","","0.71073","MoKα","","0.0844","0.0566","","","0.133","0.1429","","","","","","1.087","","","","has coordinates,has disorder","232437","2020-10-21","18:00:00",""
"4347679","9.5053","0.0004","12.4791","0.0006","13.8509","0.0006","105.283","0.002","99.527","0.002","95.101","0.002","1547.76","0.12","100","2","100","2","","","","","","","synthetical product","6","P -1","-P 1","2","azido-(2,2',2""-boranetriyl-tris(6-tert-butylpyrida- zine-3(2H)-thione))-copper(I) acetonitrile solvate (2:1)","azido-(2,2',2""-boranetriyl-tris(6-tert-butylpyrida- zine-3(2H)-thione))-copper(I) acetonitrile solvate (2:1)","","- C50 H69 B2 Cu2 N19 S6 -","- C50 H69 B2 Cu2 N19 S6 -","- C50 H69 B2 Cu2 N19 S6 -","1","0.5","","Holler, Stefan; Tüchler, Michael; Belaj, Ferdinand; Veiros, Luis F.; Kirchner, Karl; Mösch-Zanetti, Nadia C","Thiopyridazine-Based Copper Boratrane Complexes Demonstrating the Z-type Nature of the Ligand.","Inorganic chemistry","2016","55","10","4980","4991","10.1021/acs.inorgchem.6b00464","","","0.71073","MoKα","","0.0563","0.037","","","0.0816","0.0908","","","","","","1.017","","","","has coordinates,has disorder","232437","2020-10-21","18:00:00",""
"4347680","18.217","0.0007","14.396","0.0006","29.2559","0.0013","90","","107.35","0.0011","90","","7323.3","0.5","100","2","100","2","","","","","","","synthetical product","7","C 1 2/c 1","-C 2yc","15","(2,2',2""-boranetriyl-tris(6-tert-butylpyridazine-3(2H)-thione))-(thiocya- nato-N)-copper(I) dichloromethane solvate (1:1)","(2,2',2""-boranetriyl-tris(6-tert-butylpyridazine-3(2H)-thione))-(thiocya- nato-N)-copper(I) dichloromethane solvate (1:1)","","- C29 H41 B Cl2 Cu N7 S4 -","- C29 H41 B Cl2 Cu N7 S4 -","- C232 H328 B8 Cl16 Cu8 N56 S32 -","8","1","","Holler, Stefan; Tüchler, Michael; Belaj, Ferdinand; Veiros, Luis F.; Kirchner, Karl; Mösch-Zanetti, Nadia C","Thiopyridazine-Based Copper Boratrane Complexes Demonstrating the Z-type Nature of the Ligand.","Inorganic chemistry","2016","55","10","4980","4991","10.1021/acs.inorgchem.6b00464","","","0.71073","MoKα","","0.0402","0.0296","","","0.0694","0.0723","","","","","","1.041","","","","has coordinates","232437","2020-10-21","18:00:00",""
"4347681","16.4474","0.0005","11.7992","0.0004","18.4902","0.0005","90","","101.602","0.0011","90","","3515.01","0.19","100","2","100","2","","","","","","","synthetical product","6","P 1 21/c 1","-P 2ybc","14","chloro-2,2'-{(2,2-dimethylpropane-1,3-diyl)bis[nitrilo(E)me- thylylidene]}bis(4,6-di-tert-butyl-phenolato)-oxo-rhenium(V)","chloro-2,2'-{(2,2-dimethylpropane-1,3-diyl)bis[nitrilo(E)me- thylylidene]}bis(4,6-di-tert-butyl-benzenolato)-oxo-rhenium(V)","","- C35 H52 Cl N2 O3 Re -","- C35 H52 Cl N2 O3 Re -","- C140 H208 Cl4 N8 O12 Re4 -","4","1","","Zwettler, Niklas; Schachner, Jörg A; Belaj, Ferdinand; Mösch-Zanetti, Nadia C","Oxidorhenium(V) Complexes with Tetradentate Iminophenolate Ligands: Influence of Ligand Flexibility on the Coordination Motif and Oxygen-Atom-Transfer Activity.","Inorganic chemistry","2016","55","12","5973","5982","10.1021/acs.inorgchem.6b00466","","","0.71073","MoKα","","0.0204","0.0168","","","0.0403","0.0416","","","","","","1.048","","","","has coordinates","232438","2020-10-21","18:00:00",""
"4347682","11.9835","0.0008","12.948","0.0009","13.1585","0.0009","70.315","0.002","81.226","0.002","72.538","0.002","1830.8","0.2","100","2","100","2","","","","","","","synthetical product","6","P -1","-P 1","2","trans chloro-[2,2'-{cyclohexane-1,2-diylbis[nitrilo(E)methylyli- dene]}bis(4,6-di-tert-butyl-phenolato)-N,N',O,O']-oxo-rhenium(V)","trans chloro-[2,2'-{cyclohexane-1,2-diylbis[nitrilo(E)methylyli- dene]}bis(4,6-di-tert-butyl-phenolato)-N,N',O,O']-oxo-rhenium(V)","","- C36 H52 Cl N2 O3 Re -","- C36 H52 Cl N2 O3 Re -","- C72 H104 Cl2 N4 O6 Re2 -","2","1","","Zwettler, Niklas; Schachner, Jörg A; Belaj, Ferdinand; Mösch-Zanetti, Nadia C","Oxidorhenium(V) Complexes with Tetradentate Iminophenolate Ligands: Influence of Ligand Flexibility on the Coordination Motif and Oxygen-Atom-Transfer Activity.","Inorganic chemistry","2016","55","12","5973","5982","10.1021/acs.inorgchem.6b00466","","","0.71073","MoKα","","0.0642","0.045","","","0.0869","0.0913","","","","","","1.142","","","","has coordinates,has disorder","232438","2020-10-21","18:00:00",""
"4347683","10.8495","0.0008","20.5248","0.0016","30.165","0.003","90","","90","","90","","6717.3","1","100","2","100","2","","","","","","","synthetical product","6","P b c a","-P 2ac 2ab","61","trans chloro-oxo-[2,2'-{1,2-phenylenebis[nitrilo(E)methylyli- dene]}bis(4,6-di-tert-butyl-phenolato)-N,N',O,O']-rhenium(V)","trans chloro-oxo-[2,2'-{1,2-phenylenebis[nitrilo(E)methylyli- dene]}bis(4,6-di-tert-butyl-phenolato)-N,N',O,O']-rhenium(V)","","- C36 H46 Cl N2 O3 Re -","- C36 H46 Cl N2 O3 Re -","- C288 H368 Cl8 N16 O24 Re8 -","8","1","","Zwettler, Niklas; Schachner, Jörg A; Belaj, Ferdinand; Mösch-Zanetti, Nadia C","Oxidorhenium(V) Complexes with Tetradentate Iminophenolate Ligands: Influence of Ligand Flexibility on the Coordination Motif and Oxygen-Atom-Transfer Activity.","Inorganic chemistry","2016","55","12","5973","5982","10.1021/acs.inorgchem.6b00466","","","0.71073","MoKα","","0.1301","0.0661","","","0.1071","0.1172","","","","","","1.029","","","","has coordinates,has disorder","232438","2020-10-21","18:00:00",""
"4347684","25.9526","0.0003","15.35706","0.00017","24.5163","0.0003","90","","92.1748","0.0011","90","","9764.1","0.2","173","0.1","173","0.1","","","","","","","","10","P 1 21/c 1","-P 2ybc","14","","","","- C75 H84 B2 Ce Cl2 Co2 F30 N2 O22 P6 -","- C75 H82 B2 Ce Cl2 Co2 F30 N2 O22 P6 -","- C300 H328 B8 Ce4 Cl8 Co8 F120 N8 O88 P24 -","4","1","","So, Yat-Ming; Li, Yang; Au-Yeung, Ka-Chun; Wang, Guo-Cang; Wong, Kang-Long; Sung, Herman H. Y.; Arnold, Polly L.; Williams, Ian D.; Lin, Zhenyang; Leung, Wa-Hung","Probing the Reactivity of the Ce═O Multiple Bond in a Cerium(IV) Oxo Complex.","Inorganic chemistry","2016","55","20","10003","10012","10.1021/acs.inorgchem.6b00480","","x-ray","1.54184","CuKα","","0.0537","0.0403","","","0.0943","0.1008","","","","","","1.002","","","","has coordinates,has disorder","232439","2020-10-21","18:00:00",""
"4347685","20.2124","0.0003","13.0805","0.0002","23.8267","0.0003","90","","92.096","0.001","90","","6295.29","0.16","172.9","0.3","172.9","0.3","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C36 H76 Ce Co2 F6 O27 P6 S2 -","- C36 H76 Ce Co2 F6 O27 P6 S2 -","- C144 H304 Ce4 Co8 F24 O108 P24 S8 -","4","1","","So, Yat-Ming; Li, Yang; Au-Yeung, Ka-Chun; Wang, Guo-Cang; Wong, Kang-Long; Sung, Herman H. Y.; Arnold, Polly L.; Williams, Ian D.; Lin, Zhenyang; Leung, Wa-Hung","Probing the Reactivity of the Ce═O Multiple Bond in a Cerium(IV) Oxo Complex.","Inorganic chemistry","2016","55","20","10003","10012","10.1021/acs.inorgchem.6b00480","","x-ray","0.7107","MoKα","","0.0663","0.0557","","","0.1448","0.1523","","","","","","1.007","","","","has coordinates,has disorder","232439","2020-10-21","18:00:00",""
"4347686","15.6774","0.0004","24.5363","0.0004","23.7102","0.0007","90","","106.619","0.003","90","","8739.5","0.4","100.01","0.1","100.01","0.1","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C56.5 H118.5 Ce Co3 N2 Na O30 P9 -","- C56.5 H45 Ce Co3 N2 Na O30 P9 -","- C226 H180 Ce4 Co12 N8 Na4 O120 P36 -","4","1","","So, Yat-Ming; Li, Yang; Au-Yeung, Ka-Chun; Wang, Guo-Cang; Wong, Kang-Long; Sung, Herman H. Y.; Arnold, Polly L.; Williams, Ian D.; Lin, Zhenyang; Leung, Wa-Hung","Probing the Reactivity of the Ce═O Multiple Bond in a Cerium(IV) Oxo Complex.","Inorganic chemistry","2016","55","20","10003","10012","10.1021/acs.inorgchem.6b00480","","x-ray","0.71073","MoKα","","0.0882","0.0655","","","0.1681","0.1835","","","","","","1.004","","","","has coordinates,has disorder","232439","2020-10-21","18:00:00",""
"4347687","15.2055","0.0006","15.2969","0.0006","18.272","0.0008","88.223","0.003","83.785","0.004","65.02","0.004","3829.3","0.3","143","2","143","2","","","","","","","","6","P -1","-P 1","2","","","","- C51 H109 Ce Co3 O29 P9 -","- C51 H109 Ce Co3 O29 P9 -","- C102 H218 Ce2 Co6 O58 P18 -","2","1","","So, Yat-Ming; Li, Yang; Au-Yeung, Ka-Chun; Wang, Guo-Cang; Wong, Kang-Long; Sung, Herman H. Y.; Arnold, Polly L.; Williams, Ian D.; Lin, Zhenyang; Leung, Wa-Hung","Probing the Reactivity of the Ce═O Multiple Bond in a Cerium(IV) Oxo Complex.","Inorganic chemistry","2016","55","20","10003","10012","10.1021/acs.inorgchem.6b00480","","x-ray","1.5418","CuKα","","0.0599","0.0452","","","0.0939","0.0995","","","","","","1.001","","","","has coordinates,has disorder","232439","2020-10-21","18:00:00",""
"4347688","13.716","0.001","15.7199","0.0011","16.0275","0.0012","72.713","0.001","79.335","0.001","75.468","0.001","3171.2","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C59 H176 Cu20 N10 O65 -","- C59 H176 Cu20 N10 O65 -","- C59 H176 Cu20 N10 O65 -","1","0.5","","Chen, Juan; Zhou, Hulan; Xu, Feng","Bottom-Up Self-Assembly of the Sphere-Shaped Icosametallic Oxo Clusters {Cu20} and {Cu12Zn8}.","Inorganic chemistry","2016","55","10","4695","4697","10.1021/acs.inorgchem.6b00487","","","0.71073","MoKα","","0.0798","0.049","","","0.1242","0.1418","","","","","","1.022","","","","has coordinates,has disorder","232440","2020-10-21","18:00:00",""
"4347689","17.3188","0.0014","17.3188","0.0014","17.3188","0.0014","90","","90","","90","","5194.6","0.7","296","2","296","2","","","","","","","","6","I m -3 m","-I 4 2 3","229","","","","- C37 H106 Cu12 N0 O75 Zn8 -","- C37 H105.84 Cu12 O75.04 Zn8 -","- C74 H211.68 Cu24 O150.08 Zn16 -","2","0.0208333","","Chen, Juan; Zhou, Hulan; Xu, Feng","Bottom-Up Self-Assembly of the Sphere-Shaped Icosametallic Oxo Clusters {Cu20} and {Cu12Zn8}.","Inorganic chemistry","2016","55","10","4695","4697","10.1021/acs.inorgchem.6b00487","","","0.71073","MoKα","","0.0755","0.0723","","","0.2463","0.2518","","","","","","1.045","","","","has coordinates,has disorder","232441","2020-10-21","18:00:00",""
"4347690","16.5194","0.0009","16.5194","0.0009","21.64","0.002","90","","90","","90","","5905.4","0.7","100","2","100","2","","","","","","","","5","P 42/n :2","-P 4bc","86","","","","- C53 H168 Cu20 N8 O70 -","- C53 H168 Cu20 N8 O70 -","- C106 H336 Cu40 N16 O140 -","2","0.25","","Chen, Juan; Zhou, Hulan; Xu, Feng","Bottom-Up Self-Assembly of the Sphere-Shaped Icosametallic Oxo Clusters {Cu20} and {Cu12Zn8}.","Inorganic chemistry","2016","55","10","4695","4697","10.1021/acs.inorgchem.6b00487","","","0.71073","MoKα","","0.0497","0.032","","","0.0706","0.0787","","","","","","1.056","","","","has coordinates,has disorder","232442","2020-10-21","18:00:00",""
"4347691","14.292","0.003","8.0306","0.0018","17.404","0.004","90","","111.007","0.002","90","","1864.8","0.7","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C10 H26 N4 O7 S3 -","- C10 H26 N4 O7 S3 -","- C40 H104 N16 O28 S12 -","4","1","","Decken, Andreas; Greer, Scott; Grein, Friedrich; Mailman, Aaron; Mueller, Birgit; Paulose, Tressia A. P.; Passmore, Jack; Rautiainen, J. Mikko; Richardson, Stephanie A.; Schriver, Melbourne J.; Whidden, Thomas K.","Absorption of SO2(g) by TDAE[O2SSO2](s) to Give TDAE[O2SS(O)2SO2](s): Related Reactions of [NR4]2[O2SSO2](s) (R = CH3, C2H5).","Inorganic chemistry","2016","55","12","5999","6009","10.1021/acs.inorgchem.6b00488","","","0.71073","MoKα","","0.0344","0.0282","","","0.0745","0.0805","","","","","","1.059","","","","has coordinates","232443","2020-10-21","18:00:00",""
"4347692","6.192","0.003","16.614","0.004","16.832","0.005","90","","96.5","0.03","90","","1720.4","1.1","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C12 H28 Cl2 Mg O4 -","- C12 H28 Cl2 Mg O4 -","- C48 H112 Cl8 Mg4 O16 -","4","1","","Sobota, Piotr; Utko, Józef; Lis, Tadeusz; John, Łukasz; Petrus, Rafał; Drąg-Jarząbek, Anna","Unexpected Reactions between Ziegler-Natta Catalyst Components and Structural Characterization of Resulting Intermediates.","Inorganic chemistry","2016","55","9","4636","4642","10.1021/acs.inorgchem.6b00489","","","0.71073","MoKα","","0.0432","0.0345","","","0.0773","0.0816","","","","","","1.062","","","","has coordinates","232444","2020-10-21","18:00:00",""
"4347693","12.248","0.003","27.353","0.006","15.776","0.004","90","","95.97","0.02","90","","5257","2","120","2","120","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C30 H81 Cl3 Mg4 O19 Ti3 -","- C30 H81 Cl3 Mg4 O19 Ti3 -","- C120 H324 Cl12 Mg16 O76 Ti12 -","4","1","","Sobota, Piotr; Utko, Józef; Lis, Tadeusz; John, Łukasz; Petrus, Rafał; Drąg-Jarząbek, Anna","Unexpected Reactions between Ziegler-Natta Catalyst Components and Structural Characterization of Resulting Intermediates.","Inorganic chemistry","2016","55","9","4636","4642","10.1021/acs.inorgchem.6b00489","","","0.71073","MoKα","","0.0746","0.0447","","","0.1075","0.1153","","","","","","0.919","","","","has coordinates,has disorder","232444","2020-10-21","18:00:00",""
"4347694","20.172","0.005","19.331","0.005","29.658","0.006","90","","101.69","0.02","90","","11325","5","80","2","80","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C33 H88 Cl3 Mg4 O19.5 Ti3 -","- C33 H88 Cl3 Mg4 O19.5 Ti3 -","- C264 H704 Cl24 Mg32 O156 Ti24 -","8","1","","Sobota, Piotr; Utko, Józef; Lis, Tadeusz; John, Łukasz; Petrus, Rafał; Drąg-Jarząbek, Anna","Unexpected Reactions between Ziegler-Natta Catalyst Components and Structural Characterization of Resulting Intermediates.","Inorganic chemistry","2016","55","9","4636","4642","10.1021/acs.inorgchem.6b00489","","","0.71073","MoKα","","0.0901","0.0593","","","0.1462","0.1652","","","","","","1.031","","","","has coordinates,has disorder","232444","2020-10-21","18:00:00",""
"4347695","9.27","0.003","11.398","0.003","11.664","0.004","71.8","0.05","78.16","0.05","89.3","0.05","1144.1","0.7","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C32 H84 Mg2 O16 Ti2 -","- C32 H84 Mg2 O16 Ti2 -","- C32 H84 Mg2 O16 Ti2 -","1","0.5","","Sobota, Piotr; Utko, Józef; Lis, Tadeusz; John, Łukasz; Petrus, Rafał; Drąg-Jarząbek, Anna","Unexpected Reactions between Ziegler-Natta Catalyst Components and Structural Characterization of Resulting Intermediates.","Inorganic chemistry","2016","55","9","4636","4642","10.1021/acs.inorgchem.6b00489","","","0.71073","MoKα","","0.1452","0.0773","","","0.175","0.2164","","","","","","1.022","","","","has coordinates","232444","2020-10-21","18:00:00",""
"4347696","10.113","0.003","11.781","0.004","11.905","0.004","68.89","0.05","86.47","0.05","70.01","0.05","1240.4","0.9","280","2","280","2","","","","","","","","5","P -1","-P 1","2","","","","- C32 H84 Mg2 O16 Ti2 -","- C32 H84 Mg2 O16 Ti2 -","- C32 H84 Mg2 O16 Ti2 -","1","0.5","","Sobota, Piotr; Utko, Józef; Lis, Tadeusz; John, Łukasz; Petrus, Rafał; Drąg-Jarząbek, Anna","Unexpected Reactions between Ziegler-Natta Catalyst Components and Structural Characterization of Resulting Intermediates.","Inorganic chemistry","2016","55","9","4636","4642","10.1021/acs.inorgchem.6b00489","","","0.71073","MoKα","","0.1678","0.084","","","0.2056","0.2845","","","","","","0.982","","","","has coordinates,has disorder","232444","2020-10-21","18:00:00",""
"4347697","12.107","0.002","12.314","0.003","14.175","0.003","111.63","0.03","109.24","0.03","94.39","0.03","1806.9","1","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C44 H118 Cl2 Mg6 O28 Ti4 -","- C44 H118 Cl2 Mg6 O28 Ti4 -","- C44 H118 Cl2 Mg6 O28 Ti4 -","1","0.5","","Sobota, Piotr; Utko, Józef; Lis, Tadeusz; John, Łukasz; Petrus, Rafał; Drąg-Jarząbek, Anna","Unexpected Reactions between Ziegler-Natta Catalyst Components and Structural Characterization of Resulting Intermediates.","Inorganic chemistry","2016","55","9","4636","4642","10.1021/acs.inorgchem.6b00489","","","0.71073","MoKα","","0.1959","0.0846","","","0.1786","0.2356","","","","","","0.995","","","","has coordinates,has disorder","232444","2020-10-21","18:00:00",""
"4347698","12.571","0.002","13.409","0.003","19.071","0.004","109.995","0.003","100.038","0.003","98.164","0.003","2903.2","1","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C88 H144 Br4 Cu9 Dy2 N8 O44 -","- C88 H136 Br4 Cu9 Dy2 N8 O44 -","- C88 H136 Br4 Cu9 Dy2 N8 O44 -","1","0.5","","Kühne, Irina A; Kostakis, George E.; Anson, Christopher E.; Powell, Annie K.","An Undecanuclear Ferrimagnetic Cu9Dy2 Single Molecule Magnet Achieved through Ligand Fine-Tuning.","Inorganic chemistry","2016","55","9","4072","4074","10.1021/acs.inorgchem.6b00490","","","0.71073","MoKα","","0.0815","0.0614","","","0.1527","0.1649","","","","","","1.057","","","","has coordinates,has disorder","232445","2020-10-21","18:00:00",""
"4347699","12.6232","0.0003","13.5258","0.0003","19.1849","0.0004","110.153","0.002","99.826","0.002","98.254","0.002","2956.56","0.13","180","2","180","2","","","","","","","","7","P -1","-P 1","2","","","","- C88 H144.76 Br4.24 Cu9 Gd2 N8 O44.5 -","- C88 H134.264 Br4.236 Cu9 Gd2 N8 O44.5 -","- C88 H134.264 Br4.236 Cu9 Gd2 N8 O44.5 -","1","0.5","","Kühne, Irina A; Kostakis, George E.; Anson, Christopher E.; Powell, Annie K.","An Undecanuclear Ferrimagnetic Cu9Dy2 Single Molecule Magnet Achieved through Ligand Fine-Tuning.","Inorganic chemistry","2016","55","9","4072","4074","10.1021/acs.inorgchem.6b00490","","","0.71073","MoKα","","0.0562","0.0418","","","0.0941","0.0995","","","","","","1.093","","","","has coordinates,has disorder","232446","2020-10-21","18:00:00",""
"4347700","9.6817","0.0016","34.735","0.006","9.6425","0.0016","90","","115.495","0.01","90","","2926.9","0.9","110","2","110","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","capscorp1","capscorp1","","- C26 H42 B Cu F3 N6 O -","- C26 H42 B Cu F3 N6 O -","- C104 H168 B4 Cu4 F12 N24 O4 -","4","1","","Porter, Thomas R.; Capitao, Dany; Kaminsky, Werner; Qian, Zhaoshen; Mayer, James M.","Synthesis, Radical Reactivity, and Thermochemistry of Monomeric Cu(II) Alkoxide Complexes Relevant to Cu/Radical Alcohol Oxidation Catalysis.","Inorganic chemistry","2016","55","11","5467","5475","10.1021/acs.inorgchem.6b00491","","","0.71073","MoKα","","0.0804","0.0435","","","0.0742","0.0855","","","","","","1.008","","","","has coordinates","232448","2020-10-21","18:00:00",""
"4347701","10.2492","0.0013","20.261","0.003","15.796","0.002","90","","90.045","0.006","90","","3280.2","0.8","110","2","110","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","tp060512","tp060512","","- C29 H50 B Cu F3 N6 O -","- C29 H50 B Cu F3 N6 O -","- C116 H200 B4 Cu4 F12 N24 O4 -","4","1","","Porter, Thomas R.; Capitao, Dany; Kaminsky, Werner; Qian, Zhaoshen; Mayer, James M.","Synthesis, Radical Reactivity, and Thermochemistry of Monomeric Cu(II) Alkoxide Complexes Relevant to Cu/Radical Alcohol Oxidation Catalysis.","Inorganic chemistry","2016","55","11","5467","5475","10.1021/acs.inorgchem.6b00491","","","0.71073","MoKα","","0.0904","0.0639","","","0.1514","0.1725","","","","","","1.033","","","","has coordinates,has disorder","232450","2020-10-21","18:00:00",""
"4347702","9.6749","0.0012","16.817","0.002","16.646","0.002","90","","96.881","0.006","90","","2688.8","0.6","110","2","110","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","tp051512","tp051512","","- C23 H36 B Cu F3 N6 O -","- C23 H36 B Cu F3 N6 O -","- C92 H144 B4 Cu4 F12 N24 O4 -","4","1","","Porter, Thomas R.; Capitao, Dany; Kaminsky, Werner; Qian, Zhaoshen; Mayer, James M.","Synthesis, Radical Reactivity, and Thermochemistry of Monomeric Cu(II) Alkoxide Complexes Relevant to Cu/Radical Alcohol Oxidation Catalysis.","Inorganic chemistry","2016","55","11","5467","5475","10.1021/acs.inorgchem.6b00491","","","0.71073","MoKα","","0.0343","0.0276","","","0.0701","0.0741","","","","","","1.036","","","","has coordinates","232451","2020-10-21","18:00:00",""
"4347703","15.2122","0.0014","12.3292","0.0011","13.8431","0.0012","90","","92.686","0.002","90","","2593.5","0.4","110","1","110","1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H36 N8 Th -","- C24 H36 N8 Th -","- C96 H144 N32 Th4 -","4","1","","Browne, Kevin P.; Maerzke, Katie A.; Travia, Nicholas E.; Morris, David E.; Scott, Brian L.; Henson, Neil J.; Yang, Ping; Kiplinger, Jaqueline L.; Veauthier, Jacqueline M.","Synthesis, Characterization, and Density Functional Theory Analysis of Uranium and Thorium Complexes Containing Nitrogen-Rich 5-Methyltetrazolate Ligands.","Inorganic chemistry","2016","55","10","4941","4950","10.1021/acs.inorgchem.6b00492","","","0.71073","MoKα","","0.0332","0.025","","","0.0689","0.0803","","","","","","1.409","","","","has coordinates","232452","2020-10-21","18:00:00",""
"4347704","35.226","0.005","10.8224","0.0014","15.09","0.002","90","","115.12","0.003","90","","5208.7","1.2","100","1","100","1","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C24 H36 N8 U -","- C24 H36 N8 U -","- C192 H288 N64 U8 -","8","1","","Browne, Kevin P.; Maerzke, Katie A.; Travia, Nicholas E.; Morris, David E.; Scott, Brian L.; Henson, Neil J.; Yang, Ping; Kiplinger, Jaqueline L.; Veauthier, Jacqueline M.","Synthesis, Characterization, and Density Functional Theory Analysis of Uranium and Thorium Complexes Containing Nitrogen-Rich 5-Methyltetrazolate Ligands.","Inorganic chemistry","2016","55","10","4941","4950","10.1021/acs.inorgchem.6b00492","","","0.71073","MoKα","","0.0359","0.0251","","","0.0664","0.0818","","","","","","1.15","","","","has coordinates","232454","2020-10-21","18:00:00",""
"4347705","11.8667","0.0014","11.6837","0.0014","18.7137","0.0017","90","","109.413","0.006","90","","2447.1","0.5","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C34 H46 Dy2 N14 O18 -","- C34 H46 Dy2 N14 O18 -","- C68 H92 Dy4 N28 O36 -","2","0.5","","Huang, Wei; Shen, Fu-Xing; Wu, Shu-Qi; Liu, Li; Wu, Dayu; Zheng, Zhe; Xu, Jun; Zhang, Ming; Huang, Xing-Cai; Jiang, Jun; Pan, Feifei; Li, Yao; Zhu, Kun; Sato, Osamu","Metallogrid Single-Molecule Magnet: Solvent-Induced Nuclearity Transformation and Magnetic Hysteresis at 16 K.","Inorganic chemistry","2016","55","11","5476","5484","10.1021/acs.inorgchem.6b00500","","","0.71073","MoKα","","0.0397","0.0307","","","0.0993","0.1096","","","","","","1.09","","","","has coordinates,has disorder","232455","2020-10-21","18:00:00",""
"4347706","11.112","0.007","36.81","0.02","61.22","0.04","90","","90","","90","","25041","3","120","2","120","2","","","","","","","","5","F d d d :2","-F 2uv 2vw","70","","","","- C94 H116 Dy4 N28 O36 -","- C94 H72 Dy4 N28 O36 -","- C752 H576 Dy32 N224 O288 -","8","0.25","","Huang, Wei; Shen, Fu-Xing; Wu, Shu-Qi; Liu, Li; Wu, Dayu; Zheng, Zhe; Xu, Jun; Zhang, Ming; Huang, Xing-Cai; Jiang, Jun; Pan, Feifei; Li, Yao; Zhu, Kun; Sato, Osamu","Metallogrid Single-Molecule Magnet: Solvent-Induced Nuclearity Transformation and Magnetic Hysteresis at 16 K.","Inorganic chemistry","2016","55","11","5476","5484","10.1021/acs.inorgchem.6b00500","","","0.71073","MoKα","","0.1613","0.0973","","","0.2635","0.3083","","","","","","1","","","","has coordinates","232455","2020-10-21","18:00:00",""
"4347707","10.6665","0.0008","11.9325","0.0009","13.7832","0.0008","95.752","0.005","105.003","0.006","90.677","0.006","1684.7","0.2","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C30 H92 Cu3 N12 O38 V10 -","- C30 H72 Cu3 N12 O38 V10 -","- C30 H72 Cu3 N12 O38 V10 -","1","0.5","","Martín-Caballero, Jagoba; San José Wéry, Ana; Reinoso, Santiago; Artetxe, Beñat; San Felices, Leire; El Bakkali, Bouchra; Trautwein, Guido; Alcañiz-Monge, Juan; Vilas, José Luis; Gutiérrez-Zorrilla, Juan M","A Robust Open Framework Formed by Decavanadate Clusters and Copper(II) Complexes of Macrocyclic Polyamines: Permanent Microporosity and Catalytic Oxidation of Cycloalkanes.","Inorganic chemistry","2016","55","10","4970","4979","10.1021/acs.inorgchem.6b00505","","x-ray","1.54184","CuKα","","0.07","0.0567","","","0.1534","0.1661","","","","","","1.038","","","","has coordinates,has disorder","232456","2020-10-21","18:00:00",""
"4347708","10.6838","0.0003","11.9275","0.0006","13.7285","0.0007","94.433","0.004","104.596","0.003","92.604","0.003","1684.09","0.13","100","2","100","2","","","","","","","synthesis as described","6","P -1","-P 1","2","","","","- C30 H72 Cu3 N12 O28 V10 -","- C30 H72 Cu3 N12 O28 V10 -","- C30 H72 Cu3 N12 O28 V10 -","1","0.5","","Martín-Caballero, Jagoba; San José Wéry, Ana; Reinoso, Santiago; Artetxe, Beñat; San Felices, Leire; El Bakkali, Bouchra; Trautwein, Guido; Alcañiz-Monge, Juan; Vilas, José Luis; Gutiérrez-Zorrilla, Juan M","A Robust Open Framework Formed by Decavanadate Clusters and Copper(II) Complexes of Macrocyclic Polyamines: Permanent Microporosity and Catalytic Oxidation of Cycloalkanes.","Inorganic chemistry","2016","55","10","4970","4979","10.1021/acs.inorgchem.6b00505","","x-ray","0.71073","MoKα","","0.0577","0.0396","","","0.0908","0.1026","","","","","","1.044","","","","has coordinates","232456","2020-10-21","18:00:00",""
"4347709","15.5591","0.0003","15.5591","0.0003","13.8922","0.0005","90","","90","","90","","3363.1","0.15","15","2","15","2","","","","","","","","6","I 41/a :2","-I 4ad","88","","","","- C24 H56 Co N2 P4 S4 -","- C24 H40 Co N2 P4 S4 -","- C96 H160 Co4 N8 P16 S16 -","4","0.25","","Sottini, Silvia; Poneti, Giordano; Ciattini, Samuele; Levesanos, Nikolaos; Ferentinos, Eleftherios; Krzystek, J.; Sorace, Lorenzo; Kyritsis, Panayotis","Magnetic Anisotropy of Tetrahedral Co<sup>II</sup> Single-Ion Magnets: Solid-State Effects.","Inorganic chemistry","2016","55","19","9537","9548","10.1021/acs.inorgchem.6b00508","","","0.71069","MoKα","","0.0662","0.0477","","","","0.1268","","","","","","1.06","","","","has coordinates,has disorder","232457","2020-10-21","18:00:00",""
"4347710","9.317","0.0003","12.8796","0.0004","16.3511","0.0005","79.229","0.003","78.362","0.003","69.842","0.003","1789.31","0.1","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C24 H56 Co N2 P4 Se4 -","- C24 H56 Co N2 P4 Se4 -","- C48 H112 Co2 N4 P8 Se8 -","2","1","","Sottini, Silvia; Poneti, Giordano; Ciattini, Samuele; Levesanos, Nikolaos; Ferentinos, Eleftherios; Krzystek, J.; Sorace, Lorenzo; Kyritsis, Panayotis","Magnetic Anisotropy of Tetrahedral Co<sup>II</sup> Single-Ion Magnets: Solid-State Effects.","Inorganic chemistry","2016","55","19","9537","9548","10.1021/acs.inorgchem.6b00508","","","0.71073","MoKα","","0.0443","0.0313","","","","0.0676","","","","","","1.021","","","","has coordinates","232458","2020-10-21","18:00:00",""
"4347711","15.5878","0.0003","15.5878","0.0003","14.0473","0.0005","90","","90","","90","","3413.21","0.15","100","2","100","2","","","","","","","","6","I 41/a :2","-I 4ad","88","","","","- C24 H56 Co N2 P4 S4 -","- C24 H40 Co N2 P4 S4 -","- C96 H160 Co4 N8 P16 S16 -","4","0.25","","Sottini, Silvia; Poneti, Giordano; Ciattini, Samuele; Levesanos, Nikolaos; Ferentinos, Eleftherios; Krzystek, J.; Sorace, Lorenzo; Kyritsis, Panayotis","Magnetic Anisotropy of Tetrahedral Co<sup>II</sup> Single-Ion Magnets: Solid-State Effects.","Inorganic chemistry","2016","55","19","9537","9548","10.1021/acs.inorgchem.6b00508","","","0.71073","MoKα","","0.0673","0.054","","","","0.1507","","","","","","1.045","","","","has coordinates,has disorder","232459","2020-10-21","18:00:00",""
"4347712","9.2646","0.0004","12.8147","0.0005","16.2882","0.0006","79.442","0.003","78.752","0.003","69.885","0.004","1766.73","0.13","15","2","15","2","","","","","","","","6","P -1","-P 1","2","","","","- C24 H56 Co N2 P4 Se4 -","- C24 H56 Co N2 P4 Se4 -","- C48 H112 Co2 N4 P8 Se8 -","2","1","","Sottini, Silvia; Poneti, Giordano; Ciattini, Samuele; Levesanos, Nikolaos; Ferentinos, Eleftherios; Krzystek, J.; Sorace, Lorenzo; Kyritsis, Panayotis","Magnetic Anisotropy of Tetrahedral Co<sup>II</sup> Single-Ion Magnets: Solid-State Effects.","Inorganic chemistry","2016","55","19","9537","9548","10.1021/acs.inorgchem.6b00508","","","0.71073","MoKα","","0.0559","0.0382","","","","0.0757","","","","","","0.991","","","","has coordinates","232460","2020-10-21","18:00:00",""
"4347713","19.5906","0.0006","19.5906","0.0006","20.6319","0.0007","90","","90","","90","","7918.4","0.4","123","","123","","","","","","","","see text","7","P -4 21 c","P -4 2n","114","","","","- C28 H41.5 F12 N10.5 O P2 Ru -","- C28 H41.5 F12 N10.5 O P2 Ru -","- C224 H332 F96 N84 O8 P16 Ru8 -","8","1","","Hollering, Manuela; Weiss, Daniel T.; Bitzer, Mario J.; Jandl, Christian; Kühn, Fritz E","Controlling Coordination Geometries: Ru-Carbene Complexes with Tetra-NHC Ligands.","Inorganic chemistry","2016","55","12","6010","6017","10.1021/acs.inorgchem.6b00509","","x-ray","0.71073","MoKα","","0.0998","0.05","","","0.1014","0.1211","","","","","","1.011","","","","has coordinates,has disorder","232461","2020-10-21","18:00:00",""
"4347714","11.8988","0.0016","11.9529","0.0015","16.805","0.002","74.185","0.005","72.066","0.006","61.928","0.005","1983.1","0.4","123","","123","","","","","","","","see text","6","P -1","-P 1","2","","","","- C25 H33 F18 N12 P3 Ru -","- C25 H33 F18 N12 P3 Ru -","- C50 H66 F36 N24 P6 Ru2 -","2","1","","Hollering, Manuela; Weiss, Daniel T.; Bitzer, Mario J.; Jandl, Christian; Kühn, Fritz E","Controlling Coordination Geometries: Ru-Carbene Complexes with Tetra-NHC Ligands.","Inorganic chemistry","2016","55","12","6010","6017","10.1021/acs.inorgchem.6b00509","","x-ray","0.71073","MoKα","","0.0365","0.0347","","","0.0906","0.092","","","","","","1.021","","","","has coordinates,has disorder","232461","2020-10-21","18:00:00",""
"4347715","20.1959","0.0006","26.4637","0.0008","14.6327","0.0004","90","","90","","90","","7820.6","0.4","123","","123","","","","","","","","see text","6","F d d 2","F 2 -2d","43","","","","- C27 H44 F12 N10 P4 Ru -","- C27 H44 F12 N10 P4 Ru -","- C216 H352 F96 N80 P32 Ru8 -","8","0.5","","Hollering, Manuela; Weiss, Daniel T.; Bitzer, Mario J.; Jandl, Christian; Kühn, Fritz E","Controlling Coordination Geometries: Ru-Carbene Complexes with Tetra-NHC Ligands.","Inorganic chemistry","2016","55","12","6010","6017","10.1021/acs.inorgchem.6b00509","","x-ray","0.71073","MoKα","","0.0225","0.0219","","","0.0598","0.0604","","","","","","1.123","","","","has coordinates,has disorder","232461","2020-10-21","18:00:00",""
"4347716","9.3216","0.0004","11.4705","0.0006","17.2077","0.0009","85.474","0.002","87.981","0.002","87.135","0.002","1830.97","0.16","100","","100","","","","","","","","see text","6","P -1","-P 1","2","","","","- C27 H38 F12 N10 P2 Ru -","- C27 H38 F12 N10 P2 Ru -","- C54 H76 F24 N20 P4 Ru2 -","2","1","","Hollering, Manuela; Weiss, Daniel T.; Bitzer, Mario J.; Jandl, Christian; Kühn, Fritz E","Controlling Coordination Geometries: Ru-Carbene Complexes with Tetra-NHC Ligands.","Inorganic chemistry","2016","55","12","6010","6017","10.1021/acs.inorgchem.6b00509","","x-ray","0.71073","MoKα","","0.049","0.038","","","0.0925","0.0971","","","","","","1.106","","","","has coordinates,has disorder","232461","2020-10-21","18:00:00",""
"4347717","10.5793","0.0007","23.9678","0.0007","7.2677","0.0002","90","","102.549","0.007","90","","1798.79","0.15","85","2","85","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C15 H12 F3 Fe N4 O5 S -","- C15 H12 F3 Fe N4 O5 S -","- C60 H48 F12 Fe4 N16 O20 S4 -","4","1","","Speelman, Amy L.; Zhang, Bo; Silakov, Alexey; Skodje, Kelsey M.; Alp, E. Ercan; Zhao, Jiyong; Hu, Michael Y.; Kim, Eunsuk; Krebs, Carsten; Lehnert, Nicolai","Unusual Synthetic Pathway for an {Fe(NO)2}(9) Dinitrosyl Iron Complex (DNIC) and Insight into DNIC Electronic Structure via Nuclear Resonance Vibrational Spectroscopy.","Inorganic chemistry","2016","55","11","5485","5501","10.1021/acs.inorgchem.6b00510","","","1.54178","CuKα","","0.1151","0.0992","","","0.2594","0.2923","","","","","","1.089","","","","has coordinates","232462","2020-10-21","18:00:00",""
"4347718","8.176","0.003","8.951","0.007","14.978","0.014","101.86","0.14","100.19","0.05","90.38","0.03","1054.8","1.5","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C16 H12 F3 N2 O8 Re S2 -","- C16 H12 F3 N2 O8 Re S2 -","- C32 H24 F6 N4 O16 Re2 S4 -","2","1","","Carrington, Samantha J.; Chakraborty, Indranil; Bernard, Jenna M. L.; Mascharak, Pradip K.","A Theranostic Two-Tone Luminescent PhotoCORM Derived from Re(I) and (2-Pyridyl)-benzothiazole: Trackable CO Delivery to Malignant Cells.","Inorganic chemistry","2016","55","16","7852","7858","10.1021/acs.inorgchem.6b00511","","","0.71073","MoKα","","0.0326","0.0316","","","0.0947","0.0967","","","","","","0.864","","","","has coordinates","232464","2020-10-21","18:00:00",""
"4347719","27.722","0.003","7.3936","0.0006","21.633","0.002","90","","137.543","0.006","90","","2993.1","0.6","296","","296","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C26 H20 N5 O13 Pb2 -","- C26 H20 N5 O13 Pb2 -","- C104 H80 N20 O52 Pb8 -","4","0.5","","Aboutorabi, Leila; Morsali, Ali; Tahmasebi, Elham; Büyükgüngor, Orhan","Metal-Organic Framework Based on Isonicotinate N-Oxide for Fast and Highly Efficient Aqueous Phase Cr(VI) Adsorption.","Inorganic chemistry","2016","55","11","5507","5513","10.1021/acs.inorgchem.6b00522","","","0.71073","MoKα","","0.0663","0.0528","","","0.1206","0.1272","","","","","","1.036","","","","has coordinates,has disorder","232466","2020-10-21","18:00:00",""
"4347720","6.1804","0.0002","10.9724","0.0004","16.4113","0.0005","90","","90.271","0.002","90","","1112.9","0.06","150","2","150","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C22 H25 N Si2 -","- C22 H25 N Si2 -","- C44 H50 N2 Si4 -","2","1","","Al-Balushi, Rayya A; Haque, Ashanul; Jayapal, Maharaja; Al-Suti, Mohammed K; Husband, John; Khan, Muhammad S.; Koentjoro, Olivia F.; Molloy, Kieran C.; Skelton, Jonathan M.; Raithby, Paul R.","Experimental and Theoretical Investigation for the Level of Conjugation in Carbazole-Based Precursors and Their Mono-, Di-, and Polynuclear Pt(II) Complexes.","Inorganic chemistry","2016","55","13","6465","6480","10.1021/acs.inorgchem.6b00523","","","0.71073","MoKα","","0.0602","0.0559","","","0.1297","0.1313","","","","","","1.16","","","","has coordinates","232467","2020-10-21","18:00:00",""
"4347721","6.3292","0.0002","7.7163","0.0003","43.8439","0.0017","90","","90","","90","","2141.25","0.14","150","","150.15","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C22 H25 N Si2 -","- C22 H25 N Si2 -","- C88 H100 N4 Si8 -","4","1","","Al-Balushi, Rayya A; Haque, Ashanul; Jayapal, Maharaja; Al-Suti, Mohammed K; Husband, John; Khan, Muhammad S.; Koentjoro, Olivia F.; Molloy, Kieran C.; Skelton, Jonathan M.; Raithby, Paul R.","Experimental and Theoretical Investigation for the Level of Conjugation in Carbazole-Based Precursors and Their Mono-, Di-, and Polynuclear Pt(II) Complexes.","Inorganic chemistry","2016","55","13","6465","6480","10.1021/acs.inorgchem.6b00523","","","0.71073","MoKα","","0.0736","0.0674","","","0.1514","0.1546","","","","","","1.135","","","","has coordinates","232467","2020-10-21","18:00:00",""
"4347722","9.5643","0.0003","10.5536","0.0004","11.9787","0.0004","78.149","0.003","81.742","0.003","78.372","0.003","1152.43","0.07","100","0.1","100","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C52 H70 N2 P2 Pt -","- C52 H70 N2 P2 Pt -","- C52 H70 N2 P2 Pt -","1","0.5","","Al-Balushi, Rayya A; Haque, Ashanul; Jayapal, Maharaja; Al-Suti, Mohammed K; Husband, John; Khan, Muhammad S.; Koentjoro, Olivia F.; Molloy, Kieran C.; Skelton, Jonathan M.; Raithby, Paul R.","Experimental and Theoretical Investigation for the Level of Conjugation in Carbazole-Based Precursors and Their Mono-, Di-, and Polynuclear Pt(II) Complexes.","Inorganic chemistry","2016","55","13","6465","6480","10.1021/acs.inorgchem.6b00523","","x-ray","0.71073","MoKα","","0.0329","0.0314","","","0.042","0.0424","","","","","","0.956","","","","has coordinates,has disorder","232467","2020-10-21","18:00:00",""
"4347723","21.0064","0.0003","8.3268","0.0001","30.8889","0.0004","90","","92.058","0.001","90","","5399.48","0.12","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","h04prr13","","","- C53 H81 N O P4 Pt2 -","- C53 H81 N O P4 Pt2 -","- C212 H324 N4 O4 P16 Pt8 -","4","1","","Al-Balushi, Rayya A; Haque, Ashanul; Jayapal, Maharaja; Al-Suti, Mohammed K; Husband, John; Khan, Muhammad S.; Koentjoro, Olivia F.; Molloy, Kieran C.; Skelton, Jonathan M.; Raithby, Paul R.","Experimental and Theoretical Investigation for the Level of Conjugation in Carbazole-Based Precursors and Their Mono-, Di-, and Polynuclear Pt(II) Complexes.","Inorganic chemistry","2016","55","13","6465","6480","10.1021/acs.inorgchem.6b00523","","","0.71069","MoKα","","0.0883","0.0529","","","0.1086","0.1189","","","","","","1.052","","","","has coordinates,has disorder","232467","2020-10-21","18:00:00",""
"4347724","31.1358","0.0006","44.3487","0.0008","20.5543","0.0004","90","","90","","90","","28382","0.9","151","1","151","1","","","","","","","","5","C 2 2 21","C 2c 2","20","","","","- C58.8 H41.6 Cl1.6 Ir2 N8 -","- C58.8 H41.6 Cl1.6 Ir2 N8 -","- C1176 H832 Cl32 Ir40 N160 -","20","2.5","","Yao, Su-Yang; Ou, Yan-Ling; Ye, Bao-Hui","Asymmetric Synthesis of Enantiomerically Pure Mono- and Binuclear Bis(cyclometalated) Iridium(III) Complexes.","Inorganic chemistry","2016","55","12","6018","6026","10.1021/acs.inorgchem.6b00527","","x-ray","1.54178","CuKα","","0.0622","0.0552","","","0.145","0.1524","","","","","","1.071","","","","has coordinates","271475","2021-12-16","11:44:44",""
"4347725","23.7369","0.0004","14.0057","0.0002","20.0866","0.0003","90","","97.851","0.002","90","","6615.23","0.18","156","3","156","3","","","","","","","","7","C 1 2 1","C 2y","5","","","","- C63 H50 Cl6 F12 Ir2 N12 P2 -","- C63 H49.25 Cl6 F12 Ir2 N12 P2 -","- C252 H197 Cl24 F48 Ir8 N48 P8 -","4","1","","Yao, Su-Yang; Ou, Yan-Ling; Ye, Bao-Hui","Asymmetric Synthesis of Enantiomerically Pure Mono- and Binuclear Bis(cyclometalated) Iridium(III) Complexes.","Inorganic chemistry","2016","55","12","6018","6026","10.1021/acs.inorgchem.6b00527","","","1.54178","CuKα","","0.0774","0.0764","","","0.1957","0.1986","","","","","","1.034","","","","has coordinates,has disorder","232469","2020-10-21","18:00:00",""
"4347726","8.92212","0.00013","8.92212","0.00013","32.0341","0.0008","90","","90","","90","","2550.05","0.08","150","","150","","","","","","","","","6","P 43","P 4cw","78","","","","- C26 H22 F6 Ir N4 P -","- C26 H22 F6 Ir N4 P -","- C104 H88 F24 Ir4 N16 P4 -","4","1","","Yao, Su-Yang; Ou, Yan-Ling; Ye, Bao-Hui","Asymmetric Synthesis of Enantiomerically Pure Mono- and Binuclear Bis(cyclometalated) Iridium(III) Complexes.","Inorganic chemistry","2016","55","12","6018","6026","10.1021/acs.inorgchem.6b00527","","","1.54178","CuKα","","0.029","0.0279","","","0.064","0.0646","","","","","","1.051","","","","has coordinates","232470","2020-10-21","18:00:00",""
"4347727","19.507","0.002","26.831","0.003","16.223","0.002","90","","90","","90","","8491","1.7","296","2","296","2","","","","","","","","7","P m m n :2","-P 2ab 2a","59","","","","- C96 H112 Co3 Dy4 N38 O36 S10 -","- C96 H112 Co3 Dy4 N38 O36 S10 -","- C192 H224 Co6 Dy8 N76 O72 S20 -","2","0.25","","Wu, Jianfeng; Zhao, Lang; Zhang, Li; Li, Xiao-Lei; Guo, Mei; Tang, Jinkui","Metallosupramolecular Coordination Complexes: The Design of Heterometallic 3d-4f Gridlike Structures.","Inorganic chemistry","2016","55","11","5514","5519","10.1021/acs.inorgchem.6b00529","","","0.71073","MoKα","","0.1259","0.0957","","","0.2601","0.2871","","","","","","1.14","","","","has coordinates","232471","2020-10-21","18:00:00",""
"4347728","23.205","0.003","23.205","0.003","34.382","0.005","90","","90","","90","","18514","4","296","2","296","2","","","","","","","","8","I 41/a :2","-I 4ad","88","","","","- C92 H104 Cl2 Cu5 Dy4 N36 O36 S8 -","- C92 H68 Cl2 Cu5 Dy4 N36 O36 S8 -","- C368 H272 Cl8 Cu20 Dy16 N144 O144 S32 -","4","0.25","","Wu, Jianfeng; Zhao, Lang; Zhang, Li; Li, Xiao-Lei; Guo, Mei; Tang, Jinkui","Metallosupramolecular Coordination Complexes: The Design of Heterometallic 3d-4f Gridlike Structures.","Inorganic chemistry","2016","55","11","5514","5519","10.1021/acs.inorgchem.6b00529","","","0.71073","MoKα","","0.0984","0.0703","","","0.2124","0.2431","","","","","","1.113","","","","has coordinates","232471","2020-10-21","18:00:00",""
"4347729","24.0282","0.0016","24.0282","0.0016","34.364","0.002","90","","90","","90","","19840","2","273","2","273","2","","","","","","","","7","I 41/a :2","-I 4ad","88","","","","- C88 H92 Dy4 N32 O32 S4 Zn4 -","- C88 H92 Dy4 N32 O32 S4 Zn4 -","- C352 H368 Dy16 N128 O128 S16 Zn16 -","4","0.25","","Wu, Jianfeng; Zhao, Lang; Zhang, Li; Li, Xiao-Lei; Guo, Mei; Tang, Jinkui","Metallosupramolecular Coordination Complexes: The Design of Heterometallic 3d-4f Gridlike Structures.","Inorganic chemistry","2016","55","11","5514","5519","10.1021/acs.inorgchem.6b00529","","","0.71073","MoKα","","0.1412","0.0911","","","0.2816","0.3122","","","","","","1.078","","","","has coordinates","232471","2020-10-21","18:00:00",""
"4347730","16.8572","0.001","16.8572","0.001","11.9275","0.0008","90","","90","","90","","3389.4","0.4","180","2","180","2","","","","","","","","5","P 42/m n m","-P 4n 2n","136","","","","- C17 H11 N3 O4 Zn -","- C17 H11 N3 O4 Zn -","- C68 H44 N12 O16 Zn4 -","4","0.25","","Kobalz, K.; Kobalz, M.; Möllmer, J; Junghans, U.; Lange, M.; Bergmann, J.; Dietrich, S.; Wecks, M.; Gläser, R; Krautscheid, H.","Bis(carboxyphenyl)-1,2,4-triazole Based Metal-Organic Frameworks: Impact of Metal Ion Substitution on Adsorption Performance.","Inorganic chemistry","2016","55","14","6938","6948","10.1021/acs.inorgchem.6b00530","","","0.71073","MoKα","","0.0686","0.0602","","","0.1623","0.1657","","","","","","1.376","","","","has coordinates,has disorder","232472","2020-10-21","18:00:00",""
"4347731","16.5956","0.0009","16.5956","0.0009","12.2868","0.001","90","","90","","90","","3384","0.4","213","2","213","2","","","","","","","","5","P 42/m n m","-P 4n 2n","136","","","","- C17 H11 Co N3 O4 -","- C17 H11 Co N3 O4 -","- C68 H44 Co4 N12 O16 -","4","0.25","","Kobalz, K.; Kobalz, M.; Möllmer, J; Junghans, U.; Lange, M.; Bergmann, J.; Dietrich, S.; Wecks, M.; Gläser, R; Krautscheid, H.","Bis(carboxyphenyl)-1,2,4-triazole Based Metal-Organic Frameworks: Impact of Metal Ion Substitution on Adsorption Performance.","Inorganic chemistry","2016","55","14","6938","6948","10.1021/acs.inorgchem.6b00530","","","0.71073","MoKα","","0.0541","0.0467","","","0.1394","0.1424","","","","","","1.224","","","","has coordinates,has disorder","232473","2020-10-21","18:00:00",""
"4347732","10.8378","0.0007","13.1095","0.0015","22.4628","0.0018","90","","112.06","0.006","90","","2957.8","0.5","180","2","180","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C17 H11 N3 O4 Zn -","- C17 H11 N3 O4 Zn -","- C68 H44 N12 O16 Zn4 -","4","1","","Kobalz, K.; Kobalz, M.; Möllmer, J; Junghans, U.; Lange, M.; Bergmann, J.; Dietrich, S.; Wecks, M.; Gläser, R; Krautscheid, H.","Bis(carboxyphenyl)-1,2,4-triazole Based Metal-Organic Frameworks: Impact of Metal Ion Substitution on Adsorption Performance.","Inorganic chemistry","2016","55","14","6938","6948","10.1021/acs.inorgchem.6b00530","","","0.71073","MoKα","","0.0717","0.0611","","","0.1438","0.1477","","","","","","1.009","","","","has coordinates","232474","2020-10-21","18:00:00",""
"4347733","16.6446","0.0016","16.6446","0.0016","11.9628","0.0012","90","","90","","90","","3314.2","0.6","213","2","213","2","","","","","","","","5","P 42/m n m","-P 4n 2n","136","","","","- C17 H11 Cu N3 O4 -","- C17 H11 Cu N3 O4 -","- C68 H44 Cu4 N12 O16 -","4","0.25","","Kobalz, K.; Kobalz, M.; Möllmer, J; Junghans, U.; Lange, M.; Bergmann, J.; Dietrich, S.; Wecks, M.; Gläser, R; Krautscheid, H.","Bis(carboxyphenyl)-1,2,4-triazole Based Metal-Organic Frameworks: Impact of Metal Ion Substitution on Adsorption Performance.","Inorganic chemistry","2016","55","14","6938","6948","10.1021/acs.inorgchem.6b00530","","","0.71073","MoKα","","0.068","0.0543","","","0.1403","0.1436","","","","","","1.105","","","","has coordinates,has disorder","232475","2020-10-21","18:00:00",""
"4347734","10.6446","0.0008","13.9646","0.0011","21.3349","0.0019","90","","99.797","0.007","90","","3125.1","0.4","213","2","213","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C17 H11 Co N3 O4 -","- C17 H11 Co N3 O4 -","- C68 H44 Co4 N12 O16 -","4","1","","Kobalz, K.; Kobalz, M.; Möllmer, J; Junghans, U.; Lange, M.; Bergmann, J.; Dietrich, S.; Wecks, M.; Gläser, R; Krautscheid, H.","Bis(carboxyphenyl)-1,2,4-triazole Based Metal-Organic Frameworks: Impact of Metal Ion Substitution on Adsorption Performance.","Inorganic chemistry","2016","55","14","6938","6948","10.1021/acs.inorgchem.6b00530","","","0.71073","MoKα","","0.0795","0.0569","","","0.1345","0.1397","","","","","","0.879","","","","has coordinates","232476","2020-10-21","18:00:00",""
"4347735","11.3","0.002","11.661","0.002","16.564","0.003","105.194","0.006","100.584","0.006","94.306","0.006","2053","0.6","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C17 H22 Cl4 N2 Pd -","- C17 H21 Cl4 N2 Pd -","- C68 H84 Cl16 N8 Pd4 -","4","2","","Frutos-Pedreño, Roberto; García-Sánchez, Eva; Oliva-Madrid, María José; Bautista, Delia; Martínez-Viviente, Eloísa; Saura-Llamas, Isabel; Vicente, José","C-H Activation in Primary 3-Phenylpropylamines: Synthesis of Seven-Membered Palladacycles through Orthometalation. Stoichiometric Preparation of Benzazepinones and Catalytic Synthesis of Ureas.","Inorganic chemistry","2016","55","11","5520","5533","10.1021/acs.inorgchem.6b00542","","","0.71073","MoKα","","0.0556","0.0444","","","0.0908","0.0944","","","","","","1.163","","","","has coordinates,has disorder","232477","2020-10-21","18:00:00",""
"4347736","9.547","0.003","12.747","0.004","22.341","0.006","85.171","0.007","79.073","0.004","74.511","0.004","2570.9","1.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C28 H29 Cl N P Pd -","- C28 H28.817 Cl N P Pd -","- C112 H115.268 Cl4 N4 P4 Pd4 -","4","2","","Frutos-Pedreño, Roberto; García-Sánchez, Eva; Oliva-Madrid, María José; Bautista, Delia; Martínez-Viviente, Eloísa; Saura-Llamas, Isabel; Vicente, José","C-H Activation in Primary 3-Phenylpropylamines: Synthesis of Seven-Membered Palladacycles through Orthometalation. Stoichiometric Preparation of Benzazepinones and Catalytic Synthesis of Ureas.","Inorganic chemistry","2016","55","11","5520","5533","10.1021/acs.inorgchem.6b00542","","","0.71073","MoKα","","0.0735","0.0544","","","0.0972","0.1036","","","","","","1.101","","","","has coordinates,has disorder","232477","2020-10-21","18:00:00",""
"4347737","24.6928","0.0011","10.1025","0.0005","23.9981","0.0011","90","","118.659","0.0014","90","","5253.1","0.4","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C29 H32 Cl N O0.5 P Pd -","- C29 H32 Cl N O0.5 P Pd -","- C232 H256 Cl8 N8 O4 P8 Pd8 -","8","1","","Frutos-Pedreño, Roberto; García-Sánchez, Eva; Oliva-Madrid, María José; Bautista, Delia; Martínez-Viviente, Eloísa; Saura-Llamas, Isabel; Vicente, José","C-H Activation in Primary 3-Phenylpropylamines: Synthesis of Seven-Membered Palladacycles through Orthometalation. Stoichiometric Preparation of Benzazepinones and Catalytic Synthesis of Ureas.","Inorganic chemistry","2016","55","11","5520","5533","10.1021/acs.inorgchem.6b00542","","","0.71073","MoKα","","0.0322","0.0238","","","0.0538","0.0568","","","","","","1.048","","","","has coordinates","232477","2020-10-21","18:00:00",""
"4347738","8.8419","0.0006","12.3612","0.0008","10.1092","0.0006","90","","108.917","0.002","90","","1045.22","0.12","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C12 H15 N O -","- C12 H15 N O -","- C48 H60 N4 O4 -","4","1","","Frutos-Pedreño, Roberto; García-Sánchez, Eva; Oliva-Madrid, María José; Bautista, Delia; Martínez-Viviente, Eloísa; Saura-Llamas, Isabel; Vicente, José","C-H Activation in Primary 3-Phenylpropylamines: Synthesis of Seven-Membered Palladacycles through Orthometalation. Stoichiometric Preparation of Benzazepinones and Catalytic Synthesis of Ureas.","Inorganic chemistry","2016","55","11","5520","5533","10.1021/acs.inorgchem.6b00542","","","0.71073","MoKα","","0.0486","0.0394","","","0.1013","0.1063","","","","","","1.046","","","","has coordinates","232477","2020-10-21","18:00:00",""
"4347739","17.762","0.004","11.798","0.003","19.524","0.004","90","","113.735","0.002","90","","3745.3","1.5","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C35 H35 Cl4 Li N7 U -","- C35 H35 Cl4 Li N7 U -","- C140 H140 Cl16 Li4 N28 U4 -","4","1","","Winston, Matthew S.; Batista, Enrique R.; Yang, Ping; Tondreau, Aaron M.; Boncella, James M.","Extending Stannyl Anion Chemistry to the Actinides: Synthesis and Characterization of a Uranium-Tin Bond.","Inorganic chemistry","2016","55","11","5534","5539","10.1021/acs.inorgchem.6b00543","","","0.71073","MoKα","","0.0785","0.0645","","","0.158","0.1629","","","","","","1.278","","","","has coordinates","232478","2020-10-21","18:00:00",""
"4347740","10.6634","0.0007","24.0575","0.0016","18.0413","0.0012","90","","100.015","0.001","90","","4557.7","0.5","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C36 H84 N4 Si3 Sn U -","- C36 H84 N4 Si3 Sn U -","- C144 H336 N16 Si12 Sn4 U4 -","4","1","","Winston, Matthew S.; Batista, Enrique R.; Yang, Ping; Tondreau, Aaron M.; Boncella, James M.","Extending Stannyl Anion Chemistry to the Actinides: Synthesis and Characterization of a Uranium-Tin Bond.","Inorganic chemistry","2016","55","11","5534","5539","10.1021/acs.inorgchem.6b00543","","","0.71073","MoKα","","0.0311","0.0265","","","0.064","0.0663","","","","","","1.032","","","","has coordinates","232479","2020-10-21","18:00:00",""
"4347741","16.2749","0.0006","13.4409","0.0006","13.0094","0.0004","90","","95.628","0.002","90","","2832.08","0.19","110","2","110","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C37 H20 F6 N4 -","- C37 H20 F6 N4 -","- C148 H80 F24 N16 -","4","1","","Vestfrid, Jenya; Kothari, Rashmi; Kostenko, Arseni; Goldberg, Israel; Tumanskii, Boris; Gross, Zeev","Intriguing Physical and Chemical Properties of Phosphorus Corroles.","Inorganic chemistry","2016","55","12","6061","6067","10.1021/acs.inorgchem.6b00544","","","0.71073","MoKα","","0.0684","0.0437","","","0.0941","0.1064","","","","","","1.02","","","","has coordinates","232480","2020-10-21","18:00:00",""
"4347742","15.8026","0.0007","12.6026","0.0005","16.458","0.0007","90","","101.942","0.002","90","","3206.7","0.2","110","2","110","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C38 H19 Cl2 F8 N4 P -","- C38 H19 Cl2 F8 N4 P -","- C152 H76 Cl8 F32 N16 P4 -","4","1","","Vestfrid, Jenya; Kothari, Rashmi; Kostenko, Arseni; Goldberg, Israel; Tumanskii, Boris; Gross, Zeev","Intriguing Physical and Chemical Properties of Phosphorus Corroles.","Inorganic chemistry","2016","55","12","6061","6067","10.1021/acs.inorgchem.6b00544","","","0.71073","MoKα","","0.056","0.0396","","","0.0912","0.1001","","","","","","1.013","","","","has coordinates","232481","2020-10-21","18:00:00",""
"4347743","19.667","0.0014","12.45","0.001","13.7064","0.0009","90","","106.074","0.003","90","","3224.9","0.4","110","2","110","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C38 H21 Cl2 F6 N4 O2 P -","- C38 H21 Cl2 F6 N4 O2 P -","- C152 H84 Cl8 F24 N16 O8 P4 -","4","1","","Vestfrid, Jenya; Kothari, Rashmi; Kostenko, Arseni; Goldberg, Israel; Tumanskii, Boris; Gross, Zeev","Intriguing Physical and Chemical Properties of Phosphorus Corroles.","Inorganic chemistry","2016","55","12","6061","6067","10.1021/acs.inorgchem.6b00544","","","0.71073","MoKα","","0.0721","0.051","","","0.1306","0.1416","","","","","","1.034","","","","has coordinates","232482","2020-10-21","18:00:00",""
"4347744","16.3119","0.0004","15.64","0.0004","13.7885","0.0003","90","","95.9","0.001","90","","3499.06","0.15","110","2","110","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C38 H10 Cl2 F17 N4 P -","- C38 H10 Cl2 F17 N4 P -","- C152 H40 Cl8 F68 N16 P4 -","4","1","","Vestfrid, Jenya; Kothari, Rashmi; Kostenko, Arseni; Goldberg, Israel; Tumanskii, Boris; Gross, Zeev","Intriguing Physical and Chemical Properties of Phosphorus Corroles.","Inorganic chemistry","2016","55","12","6061","6067","10.1021/acs.inorgchem.6b00544","","","0.71073","MoKα","","0.0617","0.0546","","","0.1287","0.1432","","","","","","1.022","","","","has coordinates,has disorder","232483","2020-10-21","18:00:00",""
"4347745","9.666","0.002","15.854","0.004","18.056","0.003","84.955","0.012","83.52","0.03","88.33","0.02","2738.1","1","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C56 H74 Cl3 Co N2 O8 -","- C56.02 H59 Cl3 Co N2 O8 -","- C112.04 H118 Cl6 Co2 N4 O16 -","2","1","","Garai, Aditya; Pant, Ila; Banerjee, Samya; Banik, Bhabatosh; Kondaiah, Paturu; Chakravarty, Akhil R.","Photorelease and Cellular Delivery of Mitocurcumin from Its Cytotoxic Cobalt(III) Complex in Visible Light.","Inorganic chemistry","2016","55","12","6027","6035","10.1021/acs.inorgchem.6b00554","","","0.71073","MoKα","","0.1777","0.0945","","","0.2496","0.3024","","","","","","1.042","","","","has coordinates","232484","2020-10-21","18:00:00",""
"4347746","29.0982","0.0007","7.3725","0.0002","22.3171","0.0005","90","","125.121","0.001","90","","3915.97","0.17","150","2","150","2","","","","","","","synthesis as described","7","C 1 2/c 1","-C 2yc","15","","","","- C36 H34 Au N2 O P S8 -","- C36 H34 Au N2 O P S8 -","- C144 H136 Au4 N8 O4 P4 S32 -","4","0.5","","Filatre-Furcate, Agathe; Bellec, Nathalie; Jeannin, Olivier; Auban-Senzier, Pascale; Fourmigué, Marc; Íñiguez, Jorge; Canadell, Enric; Brière, Benjamin; Ta Phuoc, Vinh; Lorcy, Dominique","Single-Component Conductors: A Sturdy Electronic Structure Generated by Bulky Substituents.","Inorganic chemistry","2016","55","12","6036","6046","10.1021/acs.inorgchem.6b00556","","x-ray","0.71073","MoKα","","0.02","0.0169","","","0.039","0.0406","","","","","","1.05","","","","has coordinates","232485","2020-10-21","18:00:00",""
"4347747","6.9668","0.0006","12.8949","0.001","21.2391","0.0013","90","","92.757","0.004","90","","1905.8","0.2","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H14 Au N2 S8 -","- C12 H14 Au N2 S8 -","- C48 H56 Au4 N8 S32 -","4","1","","Filatre-Furcate, Agathe; Bellec, Nathalie; Jeannin, Olivier; Auban-Senzier, Pascale; Fourmigué, Marc; Íñiguez, Jorge; Canadell, Enric; Brière, Benjamin; Ta Phuoc, Vinh; Lorcy, Dominique","Single-Component Conductors: A Sturdy Electronic Structure Generated by Bulky Substituents.","Inorganic chemistry","2016","55","12","6036","6046","10.1021/acs.inorgchem.6b00556","","x-ray","0.71073","MoKα","","0.0532","0.0315","","","0.0596","0.0645","","","","","","1.067","","","","has coordinates","232485","2020-10-21","18:00:00",""
"4347748","11.351","0.0002","17.596","0.0004","8.701","0.0002","90","","115.431","0.0013","90","","1569.48","0.06","150","2","150","2","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C3 H18 Cl La N O13 P3 -","- C3 H18 Cl La N O13 P3 -","- C12 H72 Cl4 La4 N4 O52 P12 -","4","1","","Bazaga-García, Montse; Angeli, Giasemi K.; Papathanasiou, Konstantinos E.; Salcedo, Inés R; Olivera-Pastor, Pascual; Losilla, Enrique R.; Choquesillo-Lazarte, Duane; Hix, Gary B.; Cabeza, Aurelio; Demadis, Konstantinos D.","Luminescent and Proton Conducting Lanthanide Coordination Networks Based On a Zwitterionic Tripodal Triphosphonate.","Inorganic chemistry","2016","55","15","7414","7424","10.1021/acs.inorgchem.6b00570","","","0.71073","MoKα","","0.0219","0.0207","","","0.0453","0.0458","","","","","","1.086","","","","has coordinates","232486","2020-10-21","18:00:00",""
"4347749","14.3006","0.0005","18.5342","0.0005","12.466","0.0004","90","","115.519","0.0018","90","","2981.77","0.17","298","","298","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C6 Ce2 N2 O26.5 P6 -","- C6 Ce2 N2 O26.5 P6 -","- C24 Ce8 N8 O106 P24 -","4","1","","Bazaga-García, Montse; Angeli, Giasemi K.; Papathanasiou, Konstantinos E.; Salcedo, Inés R; Olivera-Pastor, Pascual; Losilla, Enrique R.; Choquesillo-Lazarte, Duane; Hix, Gary B.; Cabeza, Aurelio; Demadis, Konstantinos D.","Luminescent and Proton Conducting Lanthanide Coordination Networks Based On a Zwitterionic Tripodal Triphosphonate.","Inorganic chemistry","2016","55","15","7414","7424","10.1021/acs.inorgchem.6b00570","powder diffraction","x-ray","1.5406","CuKα","","","","","","","","0.05631","","1.77","","","","","","","has coordinates","232486","2020-10-21","18:00:00",""
"4347750","11.2998","0.0008","17.7086","0.0012","8.6894","0.0006","90","","115.83","0.002","90","","1565.06","0.19","296","2","296","2","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C3 H18 Cl N O13 P3 Pr -","- C3 H14 Cl N O13 P3 Pr -","- C12 H56 Cl4 N4 O52 P12 Pr4 -","4","1","","Bazaga-García, Montse; Angeli, Giasemi K.; Papathanasiou, Konstantinos E.; Salcedo, Inés R; Olivera-Pastor, Pascual; Losilla, Enrique R.; Choquesillo-Lazarte, Duane; Hix, Gary B.; Cabeza, Aurelio; Demadis, Konstantinos D.","Luminescent and Proton Conducting Lanthanide Coordination Networks Based On a Zwitterionic Tripodal Triphosphonate.","Inorganic chemistry","2016","55","15","7414","7424","10.1021/acs.inorgchem.6b00570","","","1.54178","CuKα","","0.0596","0.0594","","","0.1593","0.1596","","","","","","1.098","","","","has coordinates","232486","2020-10-21","18:00:00",""
"4347751","11.21377","0.00032","17.64156","0.0003","8.60123","0.00032","90","","115.41","0.0022","90","","1536.96","0.08","298","","298","","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C3 Cl N O13 P3 Sm -","- C3 Cl N O13 P3 Sm -","- C12 Cl4 N4 O52 P12 Sm4 -","4","1","","Bazaga-García, Montse; Angeli, Giasemi K.; Papathanasiou, Konstantinos E.; Salcedo, Inés R; Olivera-Pastor, Pascual; Losilla, Enrique R.; Choquesillo-Lazarte, Duane; Hix, Gary B.; Cabeza, Aurelio; Demadis, Konstantinos D.","Luminescent and Proton Conducting Lanthanide Coordination Networks Based On a Zwitterionic Tripodal Triphosphonate.","Inorganic chemistry","2016","55","15","7414","7424","10.1021/acs.inorgchem.6b00570","powder diffraction","x-ray","1.5406","CuKα1","","","","","","","","0.17854","","2.02","","","","","","","has coordinates","232486","2020-10-21","18:00:00",""
"4347752","11.17342","0.00021","17.6294","0.0004","8.56995","0.0002","90","","115.416","0.0015","90","","1524.73","0.06","298","","298","","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C3 Cl Gd N O13 P3 -","- C3 Cl Gd N O13 P3 -","- C12 Cl4 Gd4 N4 O52 P12 -","4","1","","Bazaga-García, Montse; Angeli, Giasemi K.; Papathanasiou, Konstantinos E.; Salcedo, Inés R; Olivera-Pastor, Pascual; Losilla, Enrique R.; Choquesillo-Lazarte, Duane; Hix, Gary B.; Cabeza, Aurelio; Demadis, Konstantinos D.","Luminescent and Proton Conducting Lanthanide Coordination Networks Based On a Zwitterionic Tripodal Triphosphonate.","Inorganic chemistry","2016","55","15","7414","7424","10.1021/acs.inorgchem.6b00570","powder diffraction","x-ray","1.5406","CuKα1","","","","","","","","0.09988","","1.79","","","","","","","has coordinates","232486","2020-10-21","18:00:00",""
"4347753","11.14639","0.00021","17.63006","0.00021","8.5503","0.00019","90","","115.44","0.0013","90","","1517.3","0.05","298","","298","","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C3 Cl N O13 P3 Tb -","- C3 Cl N O13 P3 Tb -","- C12 Cl4 N4 O52 P12 Tb4 -","4","1","","Bazaga-García, Montse; Angeli, Giasemi K.; Papathanasiou, Konstantinos E.; Salcedo, Inés R; Olivera-Pastor, Pascual; Losilla, Enrique R.; Choquesillo-Lazarte, Duane; Hix, Gary B.; Cabeza, Aurelio; Demadis, Konstantinos D.","Luminescent and Proton Conducting Lanthanide Coordination Networks Based On a Zwitterionic Tripodal Triphosphonate.","Inorganic chemistry","2016","55","15","7414","7424","10.1021/acs.inorgchem.6b00570","powder diffraction","x-ray","1.5406","CuKα1","","","","","","","","0.12584","","1.79","","","","","","","has coordinates","232486","2020-10-21","18:00:00",""
"4347754","11.12049","0.00026","17.6102","0.0004","8.53243","0.00014","90","","115.4","0.0011","90","","1509.42","0.06","298","","298","","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C3 Cl Dy N O13 P3 -","- C3 Cl Dy N O13 P3 -","- C12 Cl4 Dy4 N4 O52 P12 -","4","1","","Bazaga-García, Montse; Angeli, Giasemi K.; Papathanasiou, Konstantinos E.; Salcedo, Inés R; Olivera-Pastor, Pascual; Losilla, Enrique R.; Choquesillo-Lazarte, Duane; Hix, Gary B.; Cabeza, Aurelio; Demadis, Konstantinos D.","Luminescent and Proton Conducting Lanthanide Coordination Networks Based On a Zwitterionic Tripodal Triphosphonate.","Inorganic chemistry","2016","55","15","7414","7424","10.1021/acs.inorgchem.6b00570","powder diffraction","x-ray","1.5406","CuKα1","","","","","","","","0.17779","","1.78","","","","","","","has coordinates","232486","2020-10-21","18:00:00",""
"4347755","11.06","0.0006","17.416","0.0008","8.4728","0.0004","90","","115.157","0.001","90","","1477.23","0.13","100","2","100","2","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C3 H18 Cl Ho N O13 P3 -","- C3 H18 Cl Ho N O13 P3 -","- C12 H72 Cl4 Ho4 N4 O52 P12 -","4","1","","Bazaga-García, Montse; Angeli, Giasemi K.; Papathanasiou, Konstantinos E.; Salcedo, Inés R; Olivera-Pastor, Pascual; Losilla, Enrique R.; Choquesillo-Lazarte, Duane; Hix, Gary B.; Cabeza, Aurelio; Demadis, Konstantinos D.","Luminescent and Proton Conducting Lanthanide Coordination Networks Based On a Zwitterionic Tripodal Triphosphonate.","Inorganic chemistry","2016","55","15","7414","7424","10.1021/acs.inorgchem.6b00570","","","0.71073","MoKα","","0.014","0.014","","","0.0397","0.0397","","","","","","1.159","","","","has coordinates","232486","2020-10-21","18:00:00",""
"4347756","11.19274","0.00028","17.6396","0.0004","8.58663","0.00027","90","","115.452","0.0015","90","","1530.77","0.07","298","","298","","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C3 Cl Eu N O13 P3 -","- C3 Cl Eu N O13 P3 -","- C12 Cl4 Eu4 N4 O52 P12 -","4","1","","Bazaga-García, Montse; Angeli, Giasemi K.; Papathanasiou, Konstantinos E.; Salcedo, Inés R; Olivera-Pastor, Pascual; Losilla, Enrique R.; Choquesillo-Lazarte, Duane; Hix, Gary B.; Cabeza, Aurelio; Demadis, Konstantinos D.","Luminescent and Proton Conducting Lanthanide Coordination Networks Based On a Zwitterionic Tripodal Triphosphonate.","Inorganic chemistry","2016","55","15","7414","7424","10.1021/acs.inorgchem.6b00570","powder diffraction","x-ray","1.5406","CuKα","","","","","","","","0.06714","","1.47","","","","","","","has coordinates","232486","2020-10-21","18:00:00",""
"4347757","22.594","0.005","9.2189","0.0018","12.461","0.003","90","","101.59","0.03","90","","2542.6","1","293","2","293","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- C19 H22 Mn N2 O7 S6 -","- C19 H10 Mn N2 O7 S6 -","- C76 H40 Mn4 N8 O28 S24 -","4","0.5","","Huo, Peng; Chen, Ting; Hou, Jin-Le; Yu, Lei; Zhu, Qin-Yu; Dai, Jie","Ligand-to-Ligand Charge Transfer within Metal-Organic Frameworks Based on Manganese Coordination Polymers with Tetrathiafulvalene-Bicarboxylate and Bipyridine Ligands.","Inorganic chemistry","2016","55","13","6496","6503","10.1021/acs.inorgchem.6b00571","","","0.71073","MoKα","","0.0971","0.0802","","","0.1577","0.1658","","","","","","0.982","","","","has coordinates","232487","2020-10-21","18:00:00",""
"4347758","16.022","0.003","8.5321","0.0017","21.559","0.004","90","","94.31","0.03","90","","2938.8","1","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C22 H24 Mn N2 O7 S6 -","- C22 H18 Mn N2 O7 S6 -","- C88 H72 Mn4 N8 O28 S24 -","4","1","","Huo, Peng; Chen, Ting; Hou, Jin-Le; Yu, Lei; Zhu, Qin-Yu; Dai, Jie","Ligand-to-Ligand Charge Transfer within Metal-Organic Frameworks Based on Manganese Coordination Polymers with Tetrathiafulvalene-Bicarboxylate and Bipyridine Ligands.","Inorganic chemistry","2016","55","13","6496","6503","10.1021/acs.inorgchem.6b00571","","","0.71073","MoKα","","0.1161","0.0955","","","0.1638","0.1752","","","","","","1.055","","","","has coordinates","232487","2020-10-21","18:00:00",""
"4347759","16.2","0.03","16.2","0.03","6.93","0.013","90","","90","","90","","1819","6","296","2","296.15","","","","","","","","","4","P 42/m b c","-P 4c 2ab","135","","","","- C8 H10 Ge N2 -","- C8 H10 Ge N2 -","- C64 H80 Ge8 N16 -","8","0.5","","Aysin, R. R.; Leites, L. A.; Bukalov, S. S.; Zabula, A. V.; West, R.","Molecular Structures of N,N'-Dimethylbenzimidazoline-2-germylene and -stannylene in Solution and in Solid State by Means of Optical (Raman and UV-vis) Spectroscopy and Quantum Chemistry Methods.","Inorganic chemistry","2016","55","10","4698","4700","10.1021/acs.inorgchem.6b00572","","","0.71073","MoKα","","0.0339","0.0305","","","0.0763","0.0774","","","","","","1.235","","","","has coordinates,has disorder","288505","2023-12-22","15:12:02",""
"4347760","21.082","0.002","21.082","0.002","11.5882","0.0012","90","","90","","90","","5150.4","0.9","100","2","100","2","","","","","","","","5","I 41 c d","I 4bw -2c","110","2(thf)","","","- C28 H30 N2 P2 Sn -","- C28 H30 N2 P2 Sn -","- C224 H240 N16 P16 Sn8 -","8","0.5","","Arras, Janet; Eichele, Klaus; Maryasin, Boris; Schubert, Hartmut; Ochsenfeld, Christian; Wesemann, Lars","Intermolecular (119)Sn,(31)P Through-Space Spin-Spin Coupling in a Solid Bivalent Tin Phosphido Complex.","Inorganic chemistry","2016","55","9","4669","4675","10.1021/acs.inorgchem.6b00573","","","0.71073","MoKα","","0.0278","0.0175","","","0.0268","0.0279","","","","","","1.142","","","","has coordinates","232489","2020-10-21","18:00:00",""
"4347761","14.8396","0.0003","14.8396","0.0003","11.7863","0.0003","90","","90","","90","","2595.51","0.1","173","2","173","2","","","","","","","","5","P 42/n :2","-P 4bc","86","2(hex)","","","- C28 H30 N2 P2 Sn -","- C28 H30 N2 P2 Sn -","- C112 H120 N8 P8 Sn4 -","4","0.5","","Arras, Janet; Eichele, Klaus; Maryasin, Boris; Schubert, Hartmut; Ochsenfeld, Christian; Wesemann, Lars","Intermolecular (119)Sn,(31)P Through-Space Spin-Spin Coupling in a Solid Bivalent Tin Phosphido Complex.","Inorganic chemistry","2016","55","9","4669","4675","10.1021/acs.inorgchem.6b00573","","","0.71073","MoKα","","0.0358","0.0284","","","0.0585","0.0612","","","","","","1.124","","","","has coordinates","232489","2020-10-21","18:00:00",""
"4347762","25.6462","0.0001","25.6462","0.0001","25.6573","0.0002","90","","90","","120","","14614.6","0.14","100","0.2","100","0.2","","","","","","","","5","P 3 2 1","P 3 2""","150","","","","- C162 H234 N36 O54 Zn9 -","- C162 H234 N36 O54 Zn9 -","- C324 H468 N72 O108 Zn18 -","2","0.333333","","Wu, Xin; Xu, Zhong-Xuan; Wang, Fei; Zhang, Jian","Catenation of Homochiral Metal-Organic Nanocages or Nanotubes.","Inorganic chemistry","2016","55","11","5095","5097","10.1021/acs.inorgchem.6b00574","","","1.54178","CuKα","","0.093","0.089","","","0.2545","0.2627","","","","","","1.013","","","","has coordinates","232490","2020-10-21","18:00:00",""
"4347763","17.3386","0.0003","22.809","0.0005","24.6996","0.0007","90","","90","","90","","9768.1","0.4","293","2","293","2","","","","","","","","5","I 21 21 21","I 2b 2c","24","","","","- C48 H62 N12 O18 Zn3 -","- C48 H62 N12 O18 Zn3 -","- C192 H248 N48 O72 Zn12 -","4","0.5","","Wu, Xin; Xu, Zhong-Xuan; Wang, Fei; Zhang, Jian","Catenation of Homochiral Metal-Organic Nanocages or Nanotubes.","Inorganic chemistry","2016","55","11","5095","5097","10.1021/acs.inorgchem.6b00574","","","1.54178","CuKα","","0.0885","0.0733","","","0.2133","0.229","","","","","","1.064","","","","has coordinates","232490","2020-10-21","18:00:00",""
"4347764","10.4237","0.0013","14.7281","0.0017","25.599","0.003","81.665","0.002","82.26","0.003","71.667","0.003","3674.5","0.8","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C78 H61 N4 O20.5 Si2 U2 -","- C78 H57 N4 O20.5 Si2 U2 -","- C156 H114 N8 O41 Si4 U4 -","2","1","","Liu, Chao; Gao, Chao-Ying; Yang, Weiting; Chen, Fang-Yuan; Pan, Qing-Jiang; Li, Jiyang; Sun, Zhong-Ming","Entangled Uranyl Organic Frameworks with (10,3)-b Topology and Polythreading Network: Structure, Luminescence, and Computational Investigation.","Inorganic chemistry","2016","55","11","5540","5548","10.1021/acs.inorgchem.6b00582","","","0.71073","MoKα","","0.0781","0.0544","","","0.1414","0.1568","","","","","","1.052","","","","has coordinates,has disorder","232491","2020-10-21","18:00:00",""
"4347765","7.263","0.003","24.54","0.01","17.718","0.007","90","","90.726","0.009","90","","3158","2","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C54 H54 O28 Si2 U3 -","- C54 H50 O27.238 Si2 U3 -","- C108 H100 O54.476 Si4 U6 -","2","0.5","","Liu, Chao; Gao, Chao-Ying; Yang, Weiting; Chen, Fang-Yuan; Pan, Qing-Jiang; Li, Jiyang; Sun, Zhong-Ming","Entangled Uranyl Organic Frameworks with (10,3)-b Topology and Polythreading Network: Structure, Luminescence, and Computational Investigation.","Inorganic chemistry","2016","55","11","5540","5548","10.1021/acs.inorgchem.6b00582","","","0.71073","MoKα","","0.0504","0.04","","","0.0965","0.1027","","","","","","1.065","","","","has coordinates","232491","2020-10-21","18:00:00",""
"4347766","19.144","0.0005","8.5429","0.0002","17.2441","0.0005","90","","105.945","0.003","90","","2711.69","0.13","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C4 H10 B13 Ga O29 Y2 -","- C4 H10 B13 Ga O29 Y2 -","- C16 H40 B52 Ga4 O116 Y8 -","4","0.5","","Yang, Hui; Hu, Chun-Li; Mao, Jiang-Gao","Ln2Ga[B3O6(OH)]2[B7O9(OH)2](CH3CO2)2 (Ln = Y, Sm, Eu, Gd, Dy): A Series of Lanthanide Galloborates Decorated by Acetate Anions.","Inorganic chemistry","2016","55","12","6051","6060","10.1021/acs.inorgchem.6b00584","","","1.54178","CuKα","","0.0701","0.0668","","","0.153","0.1583","","","","","","1.145","","","","has coordinates","232492","2020-10-21","18:00:00",""
"4347767","19.323","0.016","8.608","0.007","17.301","0.015","90","","105.566","0.014","90","","2772","4","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C4 H10 B13 Ga O29 Sm2 -","- C4 H10 B13 Ga O29 Sm2 -","- C16 H40 B52 Ga4 O116 Sm8 -","4","0.5","","Yang, Hui; Hu, Chun-Li; Mao, Jiang-Gao","Ln2Ga[B3O6(OH)]2[B7O9(OH)2](CH3CO2)2 (Ln = Y, Sm, Eu, Gd, Dy): A Series of Lanthanide Galloborates Decorated by Acetate Anions.","Inorganic chemistry","2016","55","12","6051","6060","10.1021/acs.inorgchem.6b00584","","","0.71073","MoKα","","0.0485","0.0414","","","0.1037","0.1089","","","","","","1.026","","","","has coordinates","232492","2020-10-21","18:00:00",""
"4347768","19.2923","0.0016","8.5902","0.0006","17.2909","0.0016","90","","105.636","0.01","90","","2759.5","0.4","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C4 H10 B13 Eu2 Ga O29 -","- C4 H10 B13 Eu2 Ga O29 -","- C16 H40 B52 Eu8 Ga4 O116 -","4","0.5","","Yang, Hui; Hu, Chun-Li; Mao, Jiang-Gao","Ln2Ga[B3O6(OH)]2[B7O9(OH)2](CH3CO2)2 (Ln = Y, Sm, Eu, Gd, Dy): A Series of Lanthanide Galloborates Decorated by Acetate Anions.","Inorganic chemistry","2016","55","12","6051","6060","10.1021/acs.inorgchem.6b00584","","","0.71073","MoKα","","0.0476","0.0393","","","0.0929","0.0984","","","","","","1.069","","","","has coordinates","232492","2020-10-21","18:00:00",""
"4347769","19.218","0.0012","8.5773","0.0005","17.2658","0.0015","90","","105.733","0.008","90","","2739.4","0.4","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C4 H10 B13 Ga Gd2 O29 -","- C4 H10 B13 Ga Gd2 O29 -","- C16 H40 B52 Ga4 Gd8 O116 -","4","0.5","","Yang, Hui; Hu, Chun-Li; Mao, Jiang-Gao","Ln2Ga[B3O6(OH)]2[B7O9(OH)2](CH3CO2)2 (Ln = Y, Sm, Eu, Gd, Dy): A Series of Lanthanide Galloborates Decorated by Acetate Anions.","Inorganic chemistry","2016","55","12","6051","6060","10.1021/acs.inorgchem.6b00584","","","0.71073","MoKα","","0.0505","0.0361","","","0.0623","0.0694","","","","","","0.977","","","","has coordinates","232492","2020-10-21","18:00:00",""
"4347770","19.1779","0.0004","8.5481","0.0001","17.2497","0.0003","90","","105.882","0.002","90","","2719.88","0.08","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C4 H10 B13 Dy2 Ga O29 -","- C4 H10 B13 Dy2 Ga O29 -","- C16 H40 B52 Dy8 Ga4 O116 -","4","0.5","","Yang, Hui; Hu, Chun-Li; Mao, Jiang-Gao","Ln2Ga[B3O6(OH)]2[B7O9(OH)2](CH3CO2)2 (Ln = Y, Sm, Eu, Gd, Dy): A Series of Lanthanide Galloborates Decorated by Acetate Anions.","Inorganic chemistry","2016","55","12","6051","6060","10.1021/acs.inorgchem.6b00584","","","1.54178","CuKα","","0.0199","0.0181","","","0.0449","0.0459","","","","","","1.073","","","","has coordinates","232492","2020-10-21","18:00:00",""
"4347771","11.3437","0.0003","12.0582","0.0003","13.303","0.0004","106.838","0.002","106.73","0.002","107.369","0.001","1516.24","0.08","133","2","133","2","","","","","","","","4","P -1","-P 1","2","","","","- C40 H32 N P -","- C40 H32 N P -","- C80 H64 N2 P2 -","2","1","","Younis, Fadi M.; Krieck, Sven; Al-Shboul, Tareq M A; Görls, Helmar; Westerhausen, Matthias","Calcium-Mediated Catalytic Synthesis of 1-(Diorganylamino)-1,4-diphenyl-4-(diphenylphosphanyl)buta-1,3-dienes.","Inorganic chemistry","2016","55","9","4676","4682","10.1021/acs.inorgchem.6b00586","","","0.71073","MoKα","","0.0882","0.0706","","","0.148","0.1625","","","","","","1.067","","","","has coordinates","232493","2020-10-21","18:00:00",""
"4347772","9.7193","0.0003","12.8184","0.0003","13.9702","0.0004","112.076","0.002","97.104","0.001","106.481","0.002","1493.78","0.08","133","2","133","2","","","","","","","","4","P -1","-P 1","2","","","","- C40 H32 N P -","- C40 H32 N P -","- C80 H64 N2 P2 -","2","1","","Younis, Fadi M.; Krieck, Sven; Al-Shboul, Tareq M A; Görls, Helmar; Westerhausen, Matthias","Calcium-Mediated Catalytic Synthesis of 1-(Diorganylamino)-1,4-diphenyl-4-(diphenylphosphanyl)buta-1,3-dienes.","Inorganic chemistry","2016","55","9","4676","4682","10.1021/acs.inorgchem.6b00586","","","0.71073","MoKα","","0.0643","0.0518","","","0.1214","0.1333","","","","","","1.052","","","","has coordinates","232493","2020-10-21","18:00:00",""
"4347773","5.9393","0.0001","16.9941","0.0005","27.4012","0.0008","90","","90","","90","","2765.69","0.12","133","2","133","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C35 H30 N P -","- C35 H30 N P -","- C140 H120 N4 P4 -","4","1","","Younis, Fadi M.; Krieck, Sven; Al-Shboul, Tareq M A; Görls, Helmar; Westerhausen, Matthias","Calcium-Mediated Catalytic Synthesis of 1-(Diorganylamino)-1,4-diphenyl-4-(diphenylphosphanyl)buta-1,3-dienes.","Inorganic chemistry","2016","55","9","4676","4682","10.1021/acs.inorgchem.6b00586","","","0.71073","MoKα","","0.0762","0.0577","","","0.1053","0.1123","","","","","","1.153","","","","has coordinates","232493","2020-10-21","18:00:00",""
"4347774","6.0756","0.0002","18.8919","0.0005","12.6638","0.0004","90","","101.55","0.002","90","","1424.11","0.08","133","2","133","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C36 H32 N P -","- C36 H32 N P -","- C72 H64 N2 P2 -","2","1","","Younis, Fadi M.; Krieck, Sven; Al-Shboul, Tareq M A; Görls, Helmar; Westerhausen, Matthias","Calcium-Mediated Catalytic Synthesis of 1-(Diorganylamino)-1,4-diphenyl-4-(diphenylphosphanyl)buta-1,3-dienes.","Inorganic chemistry","2016","55","9","4676","4682","10.1021/acs.inorgchem.6b00586","","","0.71073","MoKα","","0.1018","0.0755","","","0.1354","0.1495","","","","","","1.213","","","","has coordinates","232493","2020-10-21","18:00:00",""
"4347775","10.1988","0.0001","10.1988","0.0001","13.4856","0.0003","90","","90","","120","","1214.78","0.03","293","2","293","2","","","","","","","","6","P 32 2 1","P 32 2""","154","","","","- C3 H7 N O3 P Zn -","- C3 H7 N O3 P Zn -","- C18 H42 N6 O18 P6 Zn6 -","6","1","","Wang, Kangcai; Bian, Yixuan; Li, Jing; Xu, Dingguo; Lin, Zhien","Amine-Ligated Approach for the Synthesis of Extra-Large-Pore Zinc Phosphites with qtz-h and bnn Topologies.","Inorganic chemistry","2016","55","8","3727","3729","10.1021/acs.inorgchem.6b00589","","x-ray","1.54184","CuKα","","0.0679","0.0669","","","0.1955","0.1982","","","","","","1.172","","","","has coordinates","232494","2020-10-21","18:00:00",""
"4347776","8.7793","0.0003","9.9952","0.0002","17.6047","0.0006","83.642","0.002","81.302","0.003","86.406","0.002","1516.01","0.08","292.2","0.1","292.2","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C16 H36 N4 O16 P4 Zn4 -","- C16 H35 N4 O16 P4 Zn4 -","- C32 H70 N8 O32 P8 Zn8 -","2","1","","Wang, Kangcai; Bian, Yixuan; Li, Jing; Xu, Dingguo; Lin, Zhien","Amine-Ligated Approach for the Synthesis of Extra-Large-Pore Zinc Phosphites with qtz-h and bnn Topologies.","Inorganic chemistry","2016","55","8","3727","3729","10.1021/acs.inorgchem.6b00589","","x-ray","1.54184","CuKα","","0.0469","0.0441","","","0.1184","0.1214","","","","","","1.069","","","","has coordinates,has disorder","232495","2020-10-21","18:00:00",""
"4347777","35.3316","0.0015","10.8597","0.0005","20.3225","0.0009","90","","110.578","0.001","90","","7300","0.6","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C24 Ce N6 O14 -","- C24 Ce N6 O14 -","- C192 Ce8 N48 O112 -","8","1","","Acher, Eléonor; Hacene Cherkaski, Yanis; Dumas, Thomas; Tamain, Christelle; Guillaumont, Dominique; Boubals, Nathalie; Javierre, Guilhem; Hennig, Christoph; Solari, Pier Lorenzo; Charbonnel, Marie-Christine","Structures of Plutonium(IV) and Uranium(VI) with N,N-Dialkyl Amides from Crystallography, X-ray Absorption Spectra, and Theoretical Calculations.","Inorganic chemistry","2016","55","11","5558","5569","10.1021/acs.inorgchem.6b00592","","","0.71073","MoKα","","0.0945","0.0612","","","0.1651","0.1937","","","","","","1.033","","","","has coordinates","232496","2020-10-21","18:00:00",""
"4347778","9.539","0.001","9.805","0.001","19.304","0.001","83.952","0.001","87.268","0.001","67.264","0.001","1655.9","0.3","150","2","150","2","","","","","","","","6","P -1","-P 1","2","U-DBBA","","","- C24 H50 Ce0 N4 O10 U -","- C24 H50 N4 O10 U -","- C48 H100 N8 O20 U2 -","2","1","","Acher, Eléonor; Hacene Cherkaski, Yanis; Dumas, Thomas; Tamain, Christelle; Guillaumont, Dominique; Boubals, Nathalie; Javierre, Guilhem; Hennig, Christoph; Solari, Pier Lorenzo; Charbonnel, Marie-Christine","Structures of Plutonium(IV) and Uranium(VI) with N,N-Dialkyl Amides from Crystallography, X-ray Absorption Spectra, and Theoretical Calculations.","Inorganic chemistry","2016","55","11","5558","5569","10.1021/acs.inorgchem.6b00592","","","0.71069","MoKα","","0.0378","0.0288","","","0.0612","0.0654","","","","","","1.046","","","","has coordinates","232497","2020-10-21","18:00:00",""
"4347779","35.0792","0.0019","10.7798","0.0006","20.1605","0.0011","90","","111.047","0.002","90","","7115","0.7","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C24 N6 O14 Pu -","- C24 N6 O14 Pu -","- C192 N48 O112 Pu8 -","8","1","","Acher, Eléonor; Hacene Cherkaski, Yanis; Dumas, Thomas; Tamain, Christelle; Guillaumont, Dominique; Boubals, Nathalie; Javierre, Guilhem; Hennig, Christoph; Solari, Pier Lorenzo; Charbonnel, Marie-Christine","Structures of Plutonium(IV) and Uranium(VI) with N,N-Dialkyl Amides from Crystallography, X-ray Absorption Spectra, and Theoretical Calculations.","Inorganic chemistry","2016","55","11","5558","5569","10.1021/acs.inorgchem.6b00592","","","0.71073","MoKα","","0.0444","0.0357","","","0.0947","0.1022","","","","","","0.937","","","","has coordinates","232498","2020-10-21","18:00:00",""
"4347780","17.1327","0.0012","23.4368","0.0017","29.688","0.002","109.215","0.003","91.596","0.003","102.41","0.002","10930.7","1.3","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C16 H24 N6 O4 -","- C16 H24 N6 O4 -","- C352 H528 N132 O88 -","22","11","","Lohrman, Jessica; Telikepalli, Hanumaiah; Johnson, Thomas S.; Jackson, Timothy A.; Day, Victor W.; Bowman-James, Kristin","Pyrazinetetracarboxamide: A Duplex Ligand for Palladium(II).","Inorganic chemistry","2016","55","11","5098","5100","10.1021/acs.inorgchem.6b00594","","","1.54178","CuKα","","0.1051","0.0628","","","0.183","0.2076","","","","","","1.016","","","","has coordinates,has disorder","232499","2020-10-21","18:00:00",""
"4347781","6.811","0.0008","7.8443","0.0011","19.289","0.019","90","","90","","90","","1030.6","1","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","(dimethylsilanediyl)bis(methylene) dicarbamate","(dimethylsilanediyl)bis(methylene) dicarbamate","","- C6 H14 N2 O4 Si -","- C6 H14 N2 O4 Si -","- C24 H56 N8 O16 Si4 -","4","1","","Axthammer, Quirin J.; Klapötke, Thomas M; Krumm, Burkhard; Reith, Thomas","Energetic Sila-Nitrocarbamates: Silicon Analogues of Neo-Pentane Derivatives.","Inorganic chemistry","2016","55","9","4683","4692","10.1021/acs.inorgchem.6b00602","","","0.71073","MoKα","","0.0603","0.0466","","","0.081","0.0885","","","","","","1.068","","","","has coordinates","232500","2020-10-21","18:00:00",""
"4347782","9.8851","0.0006","9.8992","0.0007","11.3628","0.0007","95.236","0.005","109.668","0.006","119.019","0.007","870.75","0.14","173","2","173","2","","","","","","","","5","P -1","-P 1","2","(methylsilanetriyl)tris(methylene) tricarbamate","(methylsilanetriyl)tris(methylene) tricarbamate","","- C11 H23 N3 O8 Si -","- C11 H23 N3 O8 Si -","- C22 H46 N6 O16 Si2 -","2","1","","Axthammer, Quirin J.; Klapötke, Thomas M; Krumm, Burkhard; Reith, Thomas","Energetic Sila-Nitrocarbamates: Silicon Analogues of Neo-Pentane Derivatives.","Inorganic chemistry","2016","55","9","4683","4692","10.1021/acs.inorgchem.6b00602","","","0.71073","MoKα","","0.0579","0.041","","","0.0846","0.0999","","","","","","1.102","","","","has coordinates","232500","2020-10-21","18:00:00",""
"4347783","7.374","0.0004","6.889","0.0004","26.8818","0.0002","90","","94.54","0.006","90","","1361.3","0.11","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","silanetetrayltetrakis(methylene) tetracarbamate","silanetetrayltetrakis(methylene) tetracarbamate","","- C8 H16 N4 O8 Si -","- C8 H16 N4 O8 Si -","- C32 H64 N16 O32 Si4 -","4","1","","Axthammer, Quirin J.; Klapötke, Thomas M; Krumm, Burkhard; Reith, Thomas","Energetic Sila-Nitrocarbamates: Silicon Analogues of Neo-Pentane Derivatives.","Inorganic chemistry","2016","55","9","4683","4692","10.1021/acs.inorgchem.6b00602","","","0.71073","MoKα","","0.0341","0.0297","","","0.0728","0.0756","","","","","","1.065","","","","has coordinates","232500","2020-10-21","18:00:00",""
"4347784","8.5436","0.0004","14.1363","0.001","17.4376","0.0011","90","","90","","90","","2106","0.2","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","(trimethylsilyl)methyl nitrocarbamate","(trimethylsilyl)methyl nitrocarbamate","","- C5 H12 N2 O4 Si -","- C5 H12 N2 O4 Si -","- C40 H96 N16 O32 Si8 -","8","1","","Axthammer, Quirin J.; Klapötke, Thomas M; Krumm, Burkhard; Reith, Thomas","Energetic Sila-Nitrocarbamates: Silicon Analogues of Neo-Pentane Derivatives.","Inorganic chemistry","2016","55","9","4683","4692","10.1021/acs.inorgchem.6b00602","","","0.71073","MoKα","","0.078","0.0441","","","0.0975","0.1179","","","","","","1.015","","","","has coordinates","232500","2020-10-21","18:00:00",""
"4347785","7.224","0.0005","7.411","0.0004","12.281","0.0006","83.53","0.004","87.158","0.005","81.859","0.005","646.34","0.07","173","2","173","2","","","","","","","","5","P -1","-P 1","2","(dimethylsilanediyl)bis(methylene) bis(nitrocarbamate)","(dimethylsilanediyl)bis(methylene) bis(nitrocarbamate)","","- C6 H12 N4 O8 Si -","- C6 H12 N4 O8 Si -","- C12 H24 N8 O16 Si2 -","2","1","","Axthammer, Quirin J.; Klapötke, Thomas M; Krumm, Burkhard; Reith, Thomas","Energetic Sila-Nitrocarbamates: Silicon Analogues of Neo-Pentane Derivatives.","Inorganic chemistry","2016","55","9","4683","4692","10.1021/acs.inorgchem.6b00602","","","0.71073","MoKα","","0.0499","0.0387","","","0.0939","0.1035","","","","","","1.036","","","","has coordinates","232500","2020-10-21","18:00:00",""
"4347786","10.0675","0.0004","10.0675","0.0004","9.7196","0.0007","90","","90","","90","","985.13","0.09","173","2","173","2","","","","","","","","5","P -4 21 c","P -4 2n","114","sila-PETNC","Tetrakis(nitrocarbamoylmethyl)silane","","- C8 H12 N8 O16 Si -","- C8 H12 N8 O16 Si -","- C16 H24 N16 O32 Si2 -","2","0.25","","Axthammer, Quirin J.; Klapötke, Thomas M; Krumm, Burkhard; Reith, Thomas","Energetic Sila-Nitrocarbamates: Silicon Analogues of Neo-Pentane Derivatives.","Inorganic chemistry","2016","55","9","4683","4692","10.1021/acs.inorgchem.6b00602","","","0.71073","MoKα","","0.0514","0.0409","","","0.0938","0.0997","","","","","","1.051","","","","has coordinates","232500","2020-10-21","18:00:00",""
"4347787","25.7845","0.0017","11.6651","0.0009","8.7953","0.0004","90","","91.258","0.005","90","","2644.8","0.3","172.9","0.8","172.9","0.8","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","(1,1,3,3-tetramethyldisiloxane-1,3-diyl)bis(methylene) bis(nitrocarbamate)","(1,1,3,3-tetramethyldisiloxane-1,3-diyl)bis(methylene) bis(nitrocarbamate)","","- C8 H18 N4 O9 Si2 -","- C8 H18 N4 O9 Si2 -","- C48 H108 N24 O54 Si12 -","6","1.5","","Axthammer, Quirin J.; Klapötke, Thomas M; Krumm, Burkhard; Reith, Thomas","Energetic Sila-Nitrocarbamates: Silicon Analogues of Neo-Pentane Derivatives.","Inorganic chemistry","2016","55","9","4683","4692","10.1021/acs.inorgchem.6b00602","","","0.71073","MoKα","","0.069","0.0448","","","0.0916","0.1014","","","","","","1.015","","","","has coordinates","232500","2020-10-21","18:00:00",""
"4347788","13.679","0.003","14.772","0.003","25.532","0.006","106.077","0.002","99.833","0.003","99.363","0.002","4762.9","1.8","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C58 H48 N2 O39 Pt33 -","- C58 H48 N2 O39 Pt33 -","- C116 H96 N4 O78 Pt66 -","2","1","","Cattabriga, Enrico; Ciabatti, Iacopo; Femoni, Cristina; Funaioli, Tiziana; Iapalucci, Maria Carmela; Zacchini, Stefano","Syntheses, Structures, and Electrochemistry of the Defective ccp [Pt33(CO)38](2-) and the bcc [Pt40(CO)40](6-) Molecular Nanoclusters.","Inorganic chemistry","2016","55","12","6068","6079","10.1021/acs.inorgchem.6b00607","","","0.71073","MoKα","","0.1075","0.0557","","","0.1194","0.1423","","","","","","0.964","","","","has coordinates,has disorder","232501","2020-10-21","18:00:00",""
"4347789","15.778","0.002","16.481","0.002","28.555","0.004","81.061","0.002","81.175","0.002","89.248","0.002","7247.9","1.6","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C104 H109 N9 O40 Pt40 -","- C104 H109 N9 O40 Pt40 -","- C208 H218 N18 O80 Pt80 -","2","1","","Cattabriga, Enrico; Ciabatti, Iacopo; Femoni, Cristina; Funaioli, Tiziana; Iapalucci, Maria Carmela; Zacchini, Stefano","Syntheses, Structures, and Electrochemistry of the Defective ccp [Pt33(CO)38](2-) and the bcc [Pt40(CO)40](6-) Molecular Nanoclusters.","Inorganic chemistry","2016","55","12","6068","6079","10.1021/acs.inorgchem.6b00607","","","0.71073","MoKα","","0.0816","0.0581","","","0.1493","0.1648","","","","","","1.026","","","","has coordinates","232502","2020-10-21","18:00:00",""
"4347790","12.9789","0.0014","15.359","0.002","18.263","0.002","90","","90","","90","","3640.6","0.7","100","2","100","2","","","","","","","thf, diethylether","7","P n a 21","P 2c -2n","33","","","","- C36 H49 Cl3 N2 O P Re -","- C36 H49 Cl3 N2 O P Re -","- C144 H196 Cl12 N8 O4 P4 Re4 -","4","1","","Wang, Mei; Weyhermüller, Thomas; Bill, Eckhard; Ye, Shengfa; Wieghardt, Karl","Structural and Spectroscopic Characterization of Rhenium Complexes Containing Neutral, Monoanionic, and Dianionic Ligands of 2,2'-Bipyridines and 2,2':6,2″-Terpyridines: An Experimental and Density Functional Theory (DFT)-Computational Study.","Inorganic chemistry","2016","55","10","5019","5036","10.1021/acs.inorgchem.6b00609","","","0.71073","MoKα","","0.0601","0.0365","","","0.0734","0.0827","","","","","","1.02","","","","has coordinates,has disorder","232503","2020-10-21","18:00:00",""
"4347791","17.64","0.002","22.476","0.002","25.573","0.003","90","","90","","90","","10139.1","1.9","100","2","100","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C55 H57 Cl2 N3 O4 P2 Re -","- C55 H57 Cl2 N3 O4 P2 Re -","- C440 H456 Cl16 N24 O32 P16 Re8 -","8","1","","Wang, Mei; Weyhermüller, Thomas; Bill, Eckhard; Ye, Shengfa; Wieghardt, Karl","Structural and Spectroscopic Characterization of Rhenium Complexes Containing Neutral, Monoanionic, and Dianionic Ligands of 2,2'-Bipyridines and 2,2':6,2″-Terpyridines: An Experimental and Density Functional Theory (DFT)-Computational Study.","Inorganic chemistry","2016","55","10","5019","5036","10.1021/acs.inorgchem.6b00609","","","0.71073","MoKα","","0.0494","0.028","","","0.0523","0.0598","","","","","","1.068","","","","has coordinates","232503","2020-10-21","18:00:00",""
"4347792","18.3091","0.001","18.3091","0.001","15.383","0.002","90","","90","","120","","4465.9","0.7","100","2","100","2","","","","","","","toluene, diethylether","4","R -3 c :H","-R 3 2""c","167","","","","- C36 H36 N6 Re -","- C36 H36 N6 Re -","- C216 H216 N36 Re6 -","6","0.166667","","Wang, Mei; Weyhermüller, Thomas; Bill, Eckhard; Ye, Shengfa; Wieghardt, Karl","Structural and Spectroscopic Characterization of Rhenium Complexes Containing Neutral, Monoanionic, and Dianionic Ligands of 2,2'-Bipyridines and 2,2':6,2″-Terpyridines: An Experimental and Density Functional Theory (DFT)-Computational Study.","Inorganic chemistry","2016","55","10","5019","5036","10.1021/acs.inorgchem.6b00609","","","0.71073","MoKα","","0.0405","0.0287","","","0.0691","0.0812","","","","","","1.09","","","","has coordinates","232503","2020-10-21","18:00:00",""
"4347793","13.18","0.002","19.315","0.003","17.588","0.002","90","","95.874","0.002","90","","4453.9","1.1","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C40 H44 F6 N6 O8 Re S2 -","- C38 H36 F6 N6 O6 Re S2 -","- C152 H144 F24 N24 O24 Re4 S8 -","4","1","","Wang, Mei; Weyhermüller, Thomas; Bill, Eckhard; Ye, Shengfa; Wieghardt, Karl","Structural and Spectroscopic Characterization of Rhenium Complexes Containing Neutral, Monoanionic, and Dianionic Ligands of 2,2'-Bipyridines and 2,2':6,2″-Terpyridines: An Experimental and Density Functional Theory (DFT)-Computational Study.","Inorganic chemistry","2016","55","10","5019","5036","10.1021/acs.inorgchem.6b00609","","","0.71073","MoKα","","0.0526","0.0418","","","0.1189","0.1311","","","","","","1.074","","","","has coordinates,has disorder","232503","2020-10-21","18:00:00",""
"4347794","9.3239","0.0009","15.0576","0.0015","15.723","0.002","84.263","0.002","80.615","0.002","73.73","0.002","2087.2","0.4","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C45 H45 N6 O Re -","- C45 H45 N6 O Re -","- C90 H90 N12 O2 Re2 -","2","1","","Wang, Mei; Weyhermüller, Thomas; Bill, Eckhard; Ye, Shengfa; Wieghardt, Karl","Structural and Spectroscopic Characterization of Rhenium Complexes Containing Neutral, Monoanionic, and Dianionic Ligands of 2,2'-Bipyridines and 2,2':6,2″-Terpyridines: An Experimental and Density Functional Theory (DFT)-Computational Study.","Inorganic chemistry","2016","55","10","5019","5036","10.1021/acs.inorgchem.6b00609","","","0.71073","MoKα","","0.0287","0.0242","","","0.0581","0.0604","","","","","","1.047","","","","has coordinates","232503","2020-10-21","18:00:00",""
"4347795","16.5197","0.0009","21.126","0.002","20.0004","0.0014","90","","101.754","0.005","90","","6833.7","0.9","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C32.5 H27 Cl6 N6 Re -","- C32.5 H27 Cl6 N6 Re -","- C260 H216 Cl48 N48 Re8 -","8","2","","Wang, Mei; Weyhermüller, Thomas; Bill, Eckhard; Ye, Shengfa; Wieghardt, Karl","Structural and Spectroscopic Characterization of Rhenium Complexes Containing Neutral, Monoanionic, and Dianionic Ligands of 2,2'-Bipyridines and 2,2':6,2″-Terpyridines: An Experimental and Density Functional Theory (DFT)-Computational Study.","Inorganic chemistry","2016","55","10","5019","5036","10.1021/acs.inorgchem.6b00609","","","0.71073","MoKα","","0.0484","0.0331","","","0.0807","0.0941","","","","","","1.097","","","","has coordinates,has disorder","232503","2020-10-21","18:00:00",""
"4347796","14.558","0.003","14.386","0.002","9.793","0.002","90","","90","","90","","2051","0.7","100","2","100","2","","","","","","","","7","P n m a","-P 2ac 2n","62","","","","- C19.78 H20.35 B Cl0.22 N8 O0.78 Re -","- C19.781 H20.3438 B Cl0.219 N8 O0.781 Re -","- C79.124 H81.3752 B4 Cl0.876 N32 O3.124 Re4 -","4","0.5","","Wang, Mei; Weyhermüller, Thomas; Bill, Eckhard; Ye, Shengfa; Wieghardt, Karl","Structural and Spectroscopic Characterization of Rhenium Complexes Containing Neutral, Monoanionic, and Dianionic Ligands of 2,2'-Bipyridines and 2,2':6,2″-Terpyridines: An Experimental and Density Functional Theory (DFT)-Computational Study.","Inorganic chemistry","2016","55","10","5019","5036","10.1021/acs.inorgchem.6b00609","","","0.71073","MoKα","","0.0251","0.0212","","","0.052","0.0551","","","","","","1.108","","","","has coordinates,has disorder","232503","2020-10-21","18:00:00",""
"4347797","14.1936","0.0015","12.6799","0.0013","22.455","0.003","90","","107.152","0.002","90","","3861.6","0.8","100","2","100","2","","","","","","","methanol, diethylether","8","C 1 2/c 1","-C 2yc","15","","","","- C32 H22 Cl F6 N6 O6 Re S2 -","- C32 H22 Cl F6 N6 O6 Re S2 -","- C128 H88 Cl4 F24 N24 O24 Re4 S8 -","4","0.5","","Wang, Mei; Weyhermüller, Thomas; Bill, Eckhard; Ye, Shengfa; Wieghardt, Karl","Structural and Spectroscopic Characterization of Rhenium Complexes Containing Neutral, Monoanionic, and Dianionic Ligands of 2,2'-Bipyridines and 2,2':6,2″-Terpyridines: An Experimental and Density Functional Theory (DFT)-Computational Study.","Inorganic chemistry","2016","55","10","5019","5036","10.1021/acs.inorgchem.6b00609","","","0.71073","MoKα","","0.0216","0.0182","","","0.0433","0.0444","","","","","","1.066","","","","has coordinates","232503","2020-10-21","18:00:00",""
"4347798","13.31","0.003","17.748","0.004","19.448","0.004","70.576","0.003","78.466","0.003","77.561","0.003","4189.7","1.6","301","2","301","2","","","","","","","","5","P -1","-P 1","2","","","","- C46 H44 N4 Pt S3 -","- C46 H44 N4 Pt S3 -","- C184 H176 N16 Pt4 S12 -","4","2","","Chan, Michael Ho-Yeung; Wong, Hok-Lai; Yam, Vivian Wing-Wah","Synthesis and Photochromic Studies of Dithienylethene-Containing Cyclometalated Alkynylplatinum(II) 1,3-Bis(N-alkylbenzimidazol-2'-yl)benzene Complexes.","Inorganic chemistry","2016","55","11","5570","5577","10.1021/acs.inorgchem.6b00619","","","0.71073","MoKα","","0.057","0.0338","","","0.0751","0.0831","","","","","","0.978","","","","has coordinates,has disorder","232504","2020-10-21","18:00:00",""
"4347799","11.1715","0.0003","10.5384","0.0003","15.8594","0.0005","90","","101.833","0.002","90","","1827.45","0.09","200","2","200","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","[Ni(tren)(ma)(H2O)]2[Sn2S6]*4H2O","'[Ni(C6H18N4)(CH5N)(H2O)]2[Sn2S6]*4H2O'","","- C14 H58 N10 Ni2 O6 S6 Sn2 -","- C14 H58 N10 Ni2 O6 S6 Sn2 -","- C28 H116 N20 Ni4 O12 S12 Sn4 -","2","0.5","","Hilbert, Jessica; Näther, Christian; Weihrich, Richard; Bensch, Wolfgang","Room-Temperature Synthesis of Thiostannates from {[Ni(tren)]2[Sn2S6]}n.","Inorganic chemistry","2016","55","16","7859","7865","10.1021/acs.inorgchem.6b00625","","","0.71073","MoKα","","0.0339","0.0261","","","0.0637","0.0656","","","","","","1.022","","","","has coordinates","232505","2020-10-21","18:00:00",""
"4347800","23.371","0.003","8.231","0.002","14.274","0.002","90","","107.23","0.01","90","","2622.6","0.8","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","{[Ni(tren)]2[Sn2S6]}n","'{[Ni(C6H18N4)]2[Sn2S6]}n'","","- C12 H36 N8 Ni2 S6 Sn2 -","- C12 H36 N8 Ni2 S6 Sn2 -","- C48 H144 N32 Ni8 S24 Sn8 -","4","0.5","","Hilbert, Jessica; Näther, Christian; Weihrich, Richard; Bensch, Wolfgang","Room-Temperature Synthesis of Thiostannates from {[Ni(tren)]2[Sn2S6]}n.","Inorganic chemistry","2016","55","16","7859","7865","10.1021/acs.inorgchem.6b00625","","","0.71073","MoKα","","0.071","0.034","","","0.0838","0.0933","","","","","","1.003","","","","has coordinates,has disorder","232507","2020-10-21","18:00:00",""
"4347801","12.9264","0.0003","10.1627","0.0003","15.6585","0.0004","90","","113.263","0.002","90","","1889.78","0.09","200","2","200","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","[Ni(tren)(1,2-dap)]2[Sn2S6]*2H2O","'[Ni(C6H18N4)(C3H10N2)]2[Sn2S6]*2H2O'","","- C18 H60 N12 Ni2 O2 S6 Sn2 -","- C18 H60 N12 Ni2 O2 S6 Sn2 -","- C36 H120 N24 Ni4 O4 S12 Sn4 -","2","0.5","","Hilbert, Jessica; Näther, Christian; Weihrich, Richard; Bensch, Wolfgang","Room-Temperature Synthesis of Thiostannates from {[Ni(tren)]2[Sn2S6]}n.","Inorganic chemistry","2016","55","16","7859","7865","10.1021/acs.inorgchem.6b00625","","","0.71073","MoKα","","0.0288","0.0239","","","0.0575","0.0589","","","","","","1.067","","","","has coordinates,has disorder","232508","2020-10-21","18:00:00",""
"4347802","12.9907","0.0004","15.0019","0.0005","19.8859","0.0007","84.5399","0.0015","82.2164","0.0015","87.5745","0.0016","3820.6","0.2","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C76 H76 Dy F3 Mn3 N10 O20 S -","- C76 H76 Dy F3 Mn3 N10 O20 S -","- C152 H152 Dy2 F6 Mn6 N20 O40 S2 -","2","1","","Lin, Po-Heng; Tsui, Emily Y.; Habib, Fatemah; Murugesu, Muralee; Agapie, Theodor","Effect of the Mn Oxidation State on Single-Molecule-Magnet Properties: Mn(III) vs Mn(IV) in Biologically Inspired DyMn3O4 Cubanes.","Inorganic chemistry","2016","55","12","6095","6099","10.1021/acs.inorgchem.6b00630","","","0.71073","MoKα","","0.0718","0.0468","","","0.1139","0.1237","","","","","","1.534","","","","has coordinates","232509","2020-10-21","18:00:00",""
"4347803","17.8964","0.0006","16.8161","0.0005","27.7199","0.0009","90","","108.061","0.002","90","","7931.2","0.4","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C82.25 H86 Dy Mn3 N9 O17 -","- C82.278 H85.834 Dy Mn3 N8.722 O17 -","- C329.112 H343.336 Dy4 Mn12 N34.888 O68 -","4","1","","Lin, Po-Heng; Tsui, Emily Y.; Habib, Fatemah; Murugesu, Muralee; Agapie, Theodor","Effect of the Mn Oxidation State on Single-Molecule-Magnet Properties: Mn(III) vs Mn(IV) in Biologically Inspired DyMn3O4 Cubanes.","Inorganic chemistry","2016","55","12","6095","6099","10.1021/acs.inorgchem.6b00630","","","0.71073","MoKα","","0.0345","0.0289","","","0.0989","0.103","","","","","","1.578","","","","has coordinates,has disorder","232510","2020-10-21","18:00:00",""
"4347804","15.2019","0.0009","15.2276","0.0009","16.6962","0.001","74.449","0.002","74.51","0.002","66.594","0.002","3360.3","0.4","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C69.53 H63.58 Mn3 N7.47 O15 Y -","- C69.528 H63.584 Mn3 N7.472 O15 Y -","- C139.056 H127.168 Mn6 N14.944 O30 Y2 -","2","1","","Lin, Po-Heng; Tsui, Emily Y.; Habib, Fatemah; Murugesu, Muralee; Agapie, Theodor","Effect of the Mn Oxidation State on Single-Molecule-Magnet Properties: Mn(III) vs Mn(IV) in Biologically Inspired DyMn3O4 Cubanes.","Inorganic chemistry","2016","55","12","6095","6099","10.1021/acs.inorgchem.6b00630","","","0.71073","MoKα","","0.1359","0.072","","","0.1835","0.2075","","","","","","1.242","","","","has coordinates,has disorder","232511","2020-10-21","18:00:00",""
"4347805","9.8893","0.0013","13.0757","0.0018","29.424","0.004","90","","90.938","0.003","90","","3804.3","0.9","90","2","90","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","C60PNO","","","- C70 H9 Cl2 N O4 -","- C70 H9 Cl2 N O4 -","- C280 H36 Cl8 N4 O16 -","4","1","","Bao, Lipiao; Chen, Muqing; Shen, Wangqiang; Pan, Changwang; Ghiassi, Kamran B.; Olmstead, Marilyn M.; Balch, Alan L.; Akasaka, Takeshi; Lu, Xing","Regioselective Synthesis and Crystallographic Characterization of Isoxazoline-Ring-Fused Derivatives of Sc3N@Ih-C80 and C60.","Inorganic chemistry","2016","55","9","4075","4077","10.1021/acs.inorgchem.6b00631","","","0.71073","MoKα","","0.0624","0.0602","","","0.1835","0.1876","","","","","","1.066","","","","has coordinates","232512","2020-10-21","18:00:00",""
"4347806","24.9451","0.001","24.9451","0.001","15.7646","0.0007","90","","90","","90","","9809.6","0.7","100","2","100","2","","","","","","","","7","P 42/n :2","-P 4bc","86","Sc3N@C80PNO","","","- C90.5 H9 Cl2 N2 O4 S Sc3 -","- C90.5 H9 Cl2 N2 O4 S Sc3 -","- C724 H72 Cl16 N16 O32 S8 Sc24 -","8","1","","Bao, Lipiao; Chen, Muqing; Shen, Wangqiang; Pan, Changwang; Ghiassi, Kamran B.; Olmstead, Marilyn M.; Balch, Alan L.; Akasaka, Takeshi; Lu, Xing","Regioselective Synthesis and Crystallographic Characterization of Isoxazoline-Ring-Fused Derivatives of Sc3N@Ih-C80 and C60.","Inorganic chemistry","2016","55","9","4075","4077","10.1021/acs.inorgchem.6b00631","","","0.7749","","","0.201","0.1928","","","0.5896","0.5993","","","","","","3.367","","","","has coordinates,has disorder","232513","2020-10-21","18:00:00",""
"4347807","10.5686","0.0005","12.0162","0.0006","16.5583","0.0008","90","","100.986","0.0009","90","","2064.28","0.17","100","2","100","2","","","","","","","","5","P 1 2/n 1","-P 2yac","13","","","","- C44 H40 N4 S4 Th -","- C44 H40 N4 S4 Th -","- C88 H80 N8 S8 Th2 -","2","0.5","","Rehe, David; Kornienko, Anna Y.; Emge, Thomas J.; Brennan, John G.","Thorium Compounds with Bonds to Sulfur or Selenium: Synthesis, Structure, and Thermolysis.","Inorganic chemistry","2016","55","14","6961","6967","10.1021/acs.inorgchem.6b00645","","","0.71073","MoKα","","0.0368","0.0264","","","0.0573","0.0607","","","","","","1.009","","","","has coordinates","232514","2020-10-21","18:00:00",""
"4347808","13.9212","0.001","16.9796","0.0012","18.0655","0.0014","90","","103.736","0.0016","90","","4148.1","0.5","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C39 H15 F20 N3 S4 Th -","- C39 H15 F20 N3 S4 Th -","- C156 H60 F80 N12 S16 Th4 -","4","0.5","","Rehe, David; Kornienko, Anna Y.; Emge, Thomas J.; Brennan, John G.","Thorium Compounds with Bonds to Sulfur or Selenium: Synthesis, Structure, and Thermolysis.","Inorganic chemistry","2016","55","14","6961","6967","10.1021/acs.inorgchem.6b00645","","","0.71073","MoKα","","0.0428","0.0349","","","0.0764","0.0795","","","","","","1.004","","","","has coordinates","232514","2020-10-21","18:00:00",""
"4347809","19.89","0.003","11.7512","0.0011","19.6684","0.0018","90","","119.588","0.002","90","","3997.6","0.8","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C41.5 H37.5 N3.5 Se4 Th -","- C41.5 H37.5 N3.5 Se4 Th -","- C166 H150 N14 Se16 Th4 -","4","1","","Rehe, David; Kornienko, Anna Y.; Emge, Thomas J.; Brennan, John G.","Thorium Compounds with Bonds to Sulfur or Selenium: Synthesis, Structure, and Thermolysis.","Inorganic chemistry","2016","55","14","6961","6967","10.1021/acs.inorgchem.6b00645","","","0.71073","MoKα","","0.0643","0.0418","","","0.0934","0.1037","","","","","","1.005","","","","has coordinates","232514","2020-10-21","18:00:00",""
"4347810","12.443","0.003","13.492","0.003","18.832","0.004","102.617","0.004","100.856","0.004","114.21","0.004","2673.1","1.1","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C51.5 H27.5 F20 N5.5 Se4 Th -","- C51.5 H27.5 F20 N5.5 Se4 Th -","- C103 H55 F40 N11 Se8 Th2 -","2","1","","Rehe, David; Kornienko, Anna Y.; Emge, Thomas J.; Brennan, John G.","Thorium Compounds with Bonds to Sulfur or Selenium: Synthesis, Structure, and Thermolysis.","Inorganic chemistry","2016","55","14","6961","6967","10.1021/acs.inorgchem.6b00645","","","0.71073","MoKα","","0.0587","0.0406","","","0.08","0.0836","","","","","","0.816","","","","has coordinates,has disorder","232514","2020-10-21","18:00:00",""
"4347811","13.6483","0.0005","13.6483","0.0005","14.641","0.0008","90","","90","","90","","2727.3","0.2","150","2","150","2","","","","","","","","6","P -4 21 c","P -4 2n","114","","","","- C24 H26 Cl2 N6 Ni O8 -","- C24 H26 Cl2 N6 Ni O8 -","- C96 H104 Cl8 N24 Ni4 O32 -","4","0.5","","Sikari, Rina; Sinha, Suman; Jash, Upasona; Das, Siuli; Brandão, Paula; de Bruin, Bas; Paul, Nanda D.","Deprotonation Induced Ligand Oxidation in a Ni(II) Complex of a Redox Noninnocent N(1)-(2-Aminophenyl)benzene-1,2-diamine and Its Use in Catalytic Alcohol Oxidation.","Inorganic chemistry","2016","55","12","6114","6123","10.1021/acs.inorgchem.6b00646","","","0.71073","MoKα","","0.038","0.0292","","","0.0621","0.0655","","","","","","1.037","","","","has coordinates","232515","2020-10-21","18:00:00",""
"4347812","8.8868","0.0007","9.1899","0.0006","13.2495","0.0011","90","","98.474","0.003","90","","1070.26","0.14","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H20 N6 Ni -","- C24 H20 N6 Ni -","- C48 H40 N12 Ni2 -","2","0.5","","Sikari, Rina; Sinha, Suman; Jash, Upasona; Das, Siuli; Brandão, Paula; de Bruin, Bas; Paul, Nanda D.","Deprotonation Induced Ligand Oxidation in a Ni(II) Complex of a Redox Noninnocent N(1)-(2-Aminophenyl)benzene-1,2-diamine and Its Use in Catalytic Alcohol Oxidation.","Inorganic chemistry","2016","55","12","6114","6123","10.1021/acs.inorgchem.6b00646","","","0.71073","MoKα","","0.0549","0.0394","","","0.1002","0.1072","","","","","","1.095","","","","has coordinates,has disorder","232516","2020-10-21","18:00:00",""
"4347813","12.5538","0.0011","12.7608","0.0011","39.841","0.004","90","","93.501","0.003","90","","6370.5","1","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C27 H33 F12 N6.5 P2 Ru -","- C27 H30 F12 N6.5 P2 Ru -","- C216 H240 F96 N52 P16 Ru8 -","8","1","","Arora, Karan; White, Jessica K.; Sharma, Rajgopal; Mazumder, Shivnath; Martin, Philip D.; Schlegel, H. Bernhard; Turro, Claudia; Kodanko, Jeremy J.","Effects of Methyl Substitution in Ruthenium Tris(2-pyridylmethyl)amine Photocaging Groups for Nitriles.","Inorganic chemistry","2016","55","14","6968","6979","10.1021/acs.inorgchem.6b00650","","","0.71073","MoKα","","0.0543","0.053","","","0.1239","0.1245","","","","","","1.245","","","","has coordinates","232517","2020-10-21","18:00:00",""
"4347814","11.3211","0.0003","14.5428","0.0003","21.0676","0.0004","90","","90","","90","","3468.58","0.13","173","2","173","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C40 H28 N5 O3 Os P -","- C40 H28 N5 O3 Os P -","- C160 H112 N20 O12 Os4 P4 -","4","1","","Xiang, Jing; Wang, Qian; Yiu, Shek-Man; Man, Wai-Lun; Kwong, Hoi-Ki; Lau, Tai-Chu","Aerobic Oxidation of an Osmium(III) N-Hydroxyguanidine Complex To Give Nitric Oxide.","Inorganic chemistry","2016","55","10","5056","5061","10.1021/acs.inorgchem.6b00652","","","1.54178","CuKα","","0.0366","0.0366","","","0.0826","0.0826","","","","","","1.282","","","","has coordinates,has disorder","232518","2020-10-21","18:00:00",""
"4347815","11.291","0.0008","13.1602","0.0009","13.162","0.0009","75.406","0.006","72.121","0.006","75.807","0.006","1771.1","0.2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C40 H28 N5 O3 Os P -","- C40 H28 N5 O3 Os P -","- C80 H56 N10 O6 Os2 P2 -","2","1","","Xiang, Jing; Wang, Qian; Yiu, Shek-Man; Man, Wai-Lun; Kwong, Hoi-Ki; Lau, Tai-Chu","Aerobic Oxidation of an Osmium(III) N-Hydroxyguanidine Complex To Give Nitric Oxide.","Inorganic chemistry","2016","55","10","5056","5061","10.1021/acs.inorgchem.6b00652","","","1.54184","CuKα","","0.0534","0.0523","","","0.1237","0.1243","","","","","","1.066","","","","has coordinates","232519","2020-10-21","18:00:00",""
"4347816","10.8363","0.0002","16.4986","0.0002","18.6208","0.0003","97.1632","0.0013","94.7788","0.0014","106.966","0.0015","3134.13","0.09","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C65 H60 N6 O7.5 Os P2 -","- C65 H51 N6 O7.5 Os P2 -","- C130 H102 N12 O15 Os2 P4 -","2","1","","Xiang, Jing; Wang, Qian; Yiu, Shek-Man; Man, Wai-Lun; Kwong, Hoi-Ki; Lau, Tai-Chu","Aerobic Oxidation of an Osmium(III) N-Hydroxyguanidine Complex To Give Nitric Oxide.","Inorganic chemistry","2016","55","10","5056","5061","10.1021/acs.inorgchem.6b00652","","","1.54178","CuKα","","0.0393","0.0363","","","0.1107","0.1125","","","","","","1.105","","","","has coordinates","232520","2020-10-21","18:00:00",""
"4347817","10.3167","0.0002","12.3418","0.0003","15.883","0.0004","99.22","0.002","90.675","0.002","101.913","0.002","1951.1","0.08","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C42 H37 N7 O4 Os P -","- C42 H37 N7 O4 Os P -","- C84 H74 N14 O8 Os2 P2 -","2","1","","Xiang, Jing; Wang, Qian; Yiu, Shek-Man; Man, Wai-Lun; Kwong, Hoi-Ki; Lau, Tai-Chu","Aerobic Oxidation of an Osmium(III) N-Hydroxyguanidine Complex To Give Nitric Oxide.","Inorganic chemistry","2016","55","10","5056","5061","10.1021/acs.inorgchem.6b00652","","","1.54184","CuKα","","0.0253","0.0231","","","0.0586","0.0593","","","","","","1.031","","","","has coordinates","232521","2020-10-21","18:00:00",""
"4347818","11.9907","0.0003","13.6805","0.0003","15.2443","0.0004","109.302","0.002","110.826","0.002","100.833","0.002","2069.41","0.11","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C110 H70 Dy2 N4 O12 -","- C110 H70 Dy2 N4 O12 -","- C110 H70 Dy2 N4 O12 -","1","0.5","","Wang, Yu-Ling; Han, Chang-Bao; Zhang, Yi-Quan; Liu, Qing-Yan; Liu, Cai-Ming; Yin, Shun-Gao","Fine-Tuning Ligand to Modulate the Magnetic Anisotropy in a Carboxylate-Bridged Dy2 Single-Molecule Magnet System.","Inorganic chemistry","2016","55","11","5578","5584","10.1021/acs.inorgchem.6b00653","","x-ray","0.71073","MoKα","","0.0428","0.0354","","","0.0666","0.072","","","","","","1.005","","","","has coordinates","232522","2020-10-21","18:00:00",""
"4347819","12.5093","0.0005","13.3389","0.0006","15.0003","0.0006","110.723","0.004","102.983","0.004","106.928","0.004","2084","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C114 H70 Dy2 N4 O12 -","- C114 H70 Dy2 N4 O12 -","- C114 H70 Dy2 N4 O12 -","1","0.5","","Wang, Yu-Ling; Han, Chang-Bao; Zhang, Yi-Quan; Liu, Qing-Yan; Liu, Cai-Ming; Yin, Shun-Gao","Fine-Tuning Ligand to Modulate the Magnetic Anisotropy in a Carboxylate-Bridged Dy2 Single-Molecule Magnet System.","Inorganic chemistry","2016","55","11","5578","5584","10.1021/acs.inorgchem.6b00653","","x-ray","0.71073","MoKα","","0.0669","0.0499","","","0.0671","0.0737","","","","","","0.988","","","","has coordinates","232522","2020-10-21","18:00:00",""
"4347820","15.124","0.003","21.055","0.002","15.431","0.006","90","","115.15","0.03","90","","4448","2","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C118 H78 Dy2 N4 O12 -","- C118 H78 Dy2 N4 O12 -","- C236 H156 Dy4 N8 O24 -","2","0.5","","Wang, Yu-Ling; Han, Chang-Bao; Zhang, Yi-Quan; Liu, Qing-Yan; Liu, Cai-Ming; Yin, Shun-Gao","Fine-Tuning Ligand to Modulate the Magnetic Anisotropy in a Carboxylate-Bridged Dy2 Single-Molecule Magnet System.","Inorganic chemistry","2016","55","11","5578","5584","10.1021/acs.inorgchem.6b00653","","x-ray","0.71073","MoKα","","0.0418","0.0307","","","0.0647","0.0696","","","","","","1.032","","","","has coordinates","232522","2020-10-21","18:00:00",""
"4347821","12.8306","0.0007","14.7159","0.0008","20.368","0.0011","90","","90","","90","","3845.8","0.4","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C36 H60 Cl N2 Os P -","- C36 H60 Cl N2 Os P -","- C144 H240 Cl4 N8 Os4 P4 -","4","1","","Buil, María L; Cardo, Juan J. F.; Esteruelas, Miguel A.; Fernández, Israel; Oñate, Enrique","An Entry to Stable Mixed Phosphine-Osmium-NHC Polyhydrides.","Inorganic chemistry","2016","55","10","5062","5070","10.1021/acs.inorgchem.6b00658","","","0.71073","MoKα","","0.0427","0.039","","","0.0887","0.091","","","","","","1.077","","","","has coordinates","232523","2020-10-21","18:00:00",""
"4347822","21.4514","0.0017","10.3031","0.0008","38.022","0.003","90","","100.251","0.001","90","","8269.3","1.1","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C45 H58 B N2 Os P -","- C45 H58 B N2 Os P -","- C360 H464 B8 N16 Os8 P8 -","8","1","","Buil, María L; Cardo, Juan J. F.; Esteruelas, Miguel A.; Fernández, Israel; Oñate, Enrique","An Entry to Stable Mixed Phosphine-Osmium-NHC Polyhydrides.","Inorganic chemistry","2016","55","10","5062","5070","10.1021/acs.inorgchem.6b00658","","","0.71073","MoKα","","0.0578","0.0399","","","0.0796","0.0878","","","","","","1.022","","","","has coordinates","232523","2020-10-21","18:00:00",""
"4347823","10.8632","0.0019","20.893","0.004","18.388","0.003","90","","92.917","0.003","90","","4168","1.3","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C43 H66 N3 Os P -","- C43 H66 N3 Os P -","- C172 H264 N12 Os4 P4 -","4","1","","Buil, María L; Cardo, Juan J. F.; Esteruelas, Miguel A.; Fernández, Israel; Oñate, Enrique","An Entry to Stable Mixed Phosphine-Osmium-NHC Polyhydrides.","Inorganic chemistry","2016","55","10","5062","5070","10.1021/acs.inorgchem.6b00658","","","0.71073","MoKα","","0.0484","0.0312","","","0.0721","0.0792","","","","","","1.025","","","","has coordinates","232523","2020-10-21","18:00:00",""
"4347824","13.10659","0.00025","13.10659","0.00025","8.77013","0.00024","90","","90","","120","","1304.72","0.05","300","","300","","","","","","","","","4","P -3 1 m","-P 3 2","162","","","CAU-20","- C13.49 Al N1.5 O7.5 -","- C13.491 Al N1.497 O7.497 -","- C26.982 Al2 N2.994 O14.994 -","2","0.166667","","Halis, Selda; Inge, A. Ken; Dehning, Niklas; Weyrich, Thomas; Reinsch, Helge; Stock, Norbert","Dihydroxybenzoquinone as Linker for the Synthesis of Permanently Porous Aluminum Metal-Organic Frameworks.","Inorganic chemistry","2016","55","15","7425","7431","10.1021/acs.inorgchem.6b00661","","","1.5406","","","","","","","","","","","","","","","","","","has coordinates","232524","2020-10-21","18:00:00",""
"4347825","13.13487","0.00084","13.13487","0.00084","17.4947","0.0011","90","","90","","120","","2613.9","0.3","300","","300","","","","","","","","","5","P 63/m c m","-P 6c 2","193","","","CAU-20-Cl2","- C34.78 Al2 Cl6 N5.59 O17.59 -","- C34.7796 Al2 Cl6 N5.5932 O17.5932 -","- C69.5592 Al4 Cl12 N11.1864 O35.1864 -","2","0.0833333","","Halis, Selda; Inge, A. Ken; Dehning, Niklas; Weyrich, Thomas; Reinsch, Helge; Stock, Norbert","Dihydroxybenzoquinone as Linker for the Synthesis of Permanently Porous Aluminum Metal-Organic Frameworks.","Inorganic chemistry","2016","55","15","7425","7431","10.1021/acs.inorgchem.6b00661","","","1.5406","","","","","","","","","","","","","","","","","","has coordinates","232525","2020-10-21","18:00:00",""
"4347826","12.8118","0.0019","26.867","0.004","13.384","0.002","90","","106.674","0.005","90","","4413.3","1.1","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C66 H94 Cl2 Mn8 N26 O18 -","- C66 H94 Cl2 Mn8 N26 O18 -","- C132 H188 Cl4 Mn16 N52 O36 -","2","0.5","","Vicente, R.; El Fallah, M. S.; Casanovas, B.; Font-Bardia, M; Escuer, A.","A Ferromagnetic Salicylaldoximate/Azide Mn(II)2Mn(III)6 Cluster with an S = 17 Ground State and a Single-Molecule-Magnet Response.","Inorganic chemistry","2016","55","12","5735","5737","10.1021/acs.inorgchem.6b00662","","","0.71073","MoKα","","0.0739","0.0617","","","0.1403","0.1468","","","","","","1.113","","","","has coordinates","232526","2020-10-21","18:00:00",""
"4347827","8.2271","0.0016","10.418","0.002","15.527","0.003","98.48","0.03","101.72","0.03","99.71","0.03","1261.4","0.5","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","","","- C12 H24 Br7 O6 Zn2 -","- C12 H24 Br7 O6 Zn2 -","- C24 H48 Br14 O12 Zn4 -","2","1","","Hausmann, David; Feldmann, Claus","Bromine-rich Zinc Bromides: Zn6Br12(18-crown-6)2×(Br2)5, Zn4Br8(18-crown-6)2×(Br2)3, and Zn6Br12(18-crown-6)2\τimes (Br2)2.","Inorganic chemistry","2016","55","12","6141","6147","10.1021/acs.inorgchem.6b00663","","","0.71073","MoKα","","0.0526","0.0438","","","0.1179","0.1226","","","","","","1.062","","","","has coordinates","232527","2020-10-21","18:00:00",""
"4347828","7.7801","0.0016","13.415","0.003","16.33","0.003","99.96","0.03","103.74","0.03","103.69","0.03","1560.4","0.7","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","","","- C12 H24 Br11 O6 Zn3 -","- C12 H24 Br11 O6 Zn3 -","- C24 H48 Br22 O12 Zn6 -","2","1","","Hausmann, David; Feldmann, Claus","Bromine-rich Zinc Bromides: Zn6Br12(18-crown-6)2×(Br2)5, Zn4Br8(18-crown-6)2×(Br2)3, and Zn6Br12(18-crown-6)2\τimes (Br2)2.","Inorganic chemistry","2016","55","12","6141","6147","10.1021/acs.inorgchem.6b00663","","","0.71073","MoKα","","0.0719","0.0421","","","0.0978","0.1102","","","","","","0.888","","","","has coordinates","232528","2020-10-21","18:00:00",""
"4347829","8.899","0.0018","11.163","0.002","14.937","0.003","104.32","0.03","91.43","0.03","106.82","0.03","1368.7","0.6","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","","","- C12 H24 Br8 O6 Zn3 -","- C12 H24 Br8 O6 Zn3 -","- C24 H48 Br16 O12 Zn6 -","2","1","","Hausmann, David; Feldmann, Claus","Bromine-rich Zinc Bromides: Zn6Br12(18-crown-6)2×(Br2)5, Zn4Br8(18-crown-6)2×(Br2)3, and Zn6Br12(18-crown-6)2\τimes (Br2)2.","Inorganic chemistry","2016","55","12","6141","6147","10.1021/acs.inorgchem.6b00663","","","0.71073","MoKα","","0.0564","0.0429","","","0.1092","0.1152","","","","","","0.996","","","","has coordinates","232529","2020-10-21","18:00:00",""
"4347830","11.1956","0.0004","11.2191","0.0004","15.974","0.0006","87.284","0.001","76.736","0.001","60.865","0.001","1700.91","0.11","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","","","- C28 H52 B Fe N10 O3 -","- C28 H46 B Fe N10 O3 -","- C56 H92 B2 Fe2 N20 O6 -","2","1","","Jafri, Sadaf Fatima; Koumousi, Evangelia S.; Sainctavit, Philippe; Juhin, Amélie; Schuler, Vivien; Bun U, Oana; Mitcov, Dmitri; Dechambenoit, Pierre; Mathonière, Corine; Clérac, Rodolphe; Otero, Edwige; Ohresser, Philippe; Cartier Dit Moulin, Christophe; Arrio, Marie-Anne","Large Orbital Magnetic Moment Measured in the [TpFe(III)(CN)3](-) Precursor of Photomagnetic Molecular Prussian Blue Analogues.","Inorganic chemistry","2016","55","14","6980","6987","10.1021/acs.inorgchem.6b00664","","","0.71073","MoKα","","0.0741","0.063","","","0.1801","0.1937","","","","","","1.037","","","","has coordinates,has disorder","232530","2020-10-21","18:00:00",""
"4347831","10.1749","0.0009","14.2023","0.0012","17.2321","0.0013","86.48","0.005","77.936","0.004","84.995","0.005","2423.5","0.4","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C46 H67 B N2 O6 P2 Ru -","- C46 H67 B N2 O6 P2 Ru -","- C92 H134 B2 N4 O12 P4 Ru2 -","2","1","","Albertin, Gabriele; Antoniutti, Stefano; Bortoluzzi, Marco; Botter, Alessandra; Castro, Jesús","Pentamethylcyclopentadienyl Half-Sandwich Diazoalkane Complexes of Ruthenium: Preparation and Reactivity.","Inorganic chemistry","2016","55","11","5592","5602","10.1021/acs.inorgchem.6b00671","","","1.54178","CuKα","","0.0693","0.0579","","","0.1464","0.1564","","","","","","1.04","","","","has coordinates","232531","2020-10-21","18:00:00",""
"4347832","13.7683","0.001","21.0912","0.0018","19.7024","0.0014","90","","94.161","0.003","90","","5706.3","0.8","296","2","296","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C59 H73 B N2 O6 P2 Ru -","- C59 H73 B N2 O6 P2 Ru -","- C236 H292 B4 N8 O24 P8 Ru4 -","4","1","","Albertin, Gabriele; Antoniutti, Stefano; Bortoluzzi, Marco; Botter, Alessandra; Castro, Jesús","Pentamethylcyclopentadienyl Half-Sandwich Diazoalkane Complexes of Ruthenium: Preparation and Reactivity.","Inorganic chemistry","2016","55","11","5592","5602","10.1021/acs.inorgchem.6b00671","","","1.54178","CuKα","","0.0693","0.0484","","","0.1267","0.1423","","","","","","1.041","","","","has coordinates","232532","2020-10-21","18:00:00",""
"4347833","16.1004","0.0012","10.5361","0.0008","13.4658","0.001","90","","102.834","0.002","90","","2227.2","0.3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H33 Cl5 N3 Ta -","- C14 H33 Cl5 N3 Ta -","- C56 H132 Cl20 N12 Ta4 -","4","1","","Rahman, Md Mamdudur; Smith, Mark D.; Peryshkov, Dmitry V.","Formation of a Cationic Vinylimido Group upon C-H Activation of Nitriles by Trialkylamines in the Presence of TaCl5.","Inorganic chemistry","2016","55","11","5101","5103","10.1021/acs.inorgchem.6b00677","","","0.71073","MoKα","","0.0287","0.0228","","","0.0499","0.0529","","","","","","1.044","","","","has coordinates","232533","2020-10-21","18:00:00",""
"4347834","15.0296","0.0008","8.6155","0.0004","13.6508","0.0007","90","","90","","90","","1767.61","0.15","100","2","100","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C11 H22 Cl4 N3 Ta -","- C11 H22 Cl4 N3 Ta -","- C44 H88 Cl16 N12 Ta4 -","4","1","","Rahman, Md Mamdudur; Smith, Mark D.; Peryshkov, Dmitry V.","Formation of a Cationic Vinylimido Group upon C-H Activation of Nitriles by Trialkylamines in the Presence of TaCl5.","Inorganic chemistry","2016","55","11","5101","5103","10.1021/acs.inorgchem.6b00677","","x-ray","0.71073","MoKα","","0.013","0.0127","","","0.0308","0.031","","","","","","1.126","","","","has coordinates","232533","2020-10-21","18:00:00",""
"4347835","9.2314","0.0004","15.3766","0.0006","14.7811","0.0006","90","","97.673","0.002","90","","2079.35","0.15","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H28 Cl4 N3 Ta -","- C14 H28 Cl4 N3 Ta -","- C56 H112 Cl16 N12 Ta4 -","4","1","","Rahman, Md Mamdudur; Smith, Mark D.; Peryshkov, Dmitry V.","Formation of a Cationic Vinylimido Group upon C-H Activation of Nitriles by Trialkylamines in the Presence of TaCl5.","Inorganic chemistry","2016","55","11","5101","5103","10.1021/acs.inorgchem.6b00677","","x-ray","0.71073","MoKα","","0.032","0.0281","","","0.0523","0.0531","","","","","","1.261","","","","has coordinates","232533","2020-10-21","18:00:00",""
"4347836","17.6001","0.0006","17.6001","0.0006","33.3526","0.0013","90","","90","","90","","10331.4","0.6","100","2","100","2","","","","","","","","5","I 41/a :2","-I 4ad","88","","","","- C18 H35 Cl4 N4 Ta -","- C18 H35 Cl4 N4 Ta -","- C288 H560 Cl64 N64 Ta16 -","16","1","","Rahman, Md Mamdudur; Smith, Mark D.; Peryshkov, Dmitry V.","Formation of a Cationic Vinylimido Group upon C-H Activation of Nitriles by Trialkylamines in the Presence of TaCl5.","Inorganic chemistry","2016","55","11","5101","5103","10.1021/acs.inorgchem.6b00677","","x-ray","0.71073","MoKα","","0.0322","0.0205","","","0.0421","0.0454","","","","","","1.036","","","","has coordinates,has disorder","232533","2020-10-21","18:00:00",""
"4347837","13.7022","0.0014","13.7022","0.0014","13.5358","0.001","90","","90","","90","","2541.4","0.4","296","2","296","2","","","","","","","","5","P 4/n n c :2","-P 4a 2bc","126","","","","- C66 H32 Mn2 N18 O -","- C66 H32 Mn2 N18 O -","- C132 H64 Mn4 N36 O2 -","2","0.125","","Ikeda, Mitsuo; Murakawa, Hiroshi; Matsuda, Masaki; Hanasaki, Noriaki","Phthalocyanine-Based Single-Component Molecular Conductor [Mn(III)(Pc)(CN)]2O.","Inorganic chemistry","2016","55","15","7314","7316","10.1021/acs.inorgchem.6b00678","","","0.71075","MoKα","","0.1159","0.0726","","","0.1614","0.1874","","","","","","1.121","","","","has coordinates,has disorder","232534","2020-10-21","18:00:00",""
"4347838","11.351","0.0007","16.411","0.0012","20.117","0.0014","79.136","0.002","86.923","0.002","80.854","0.002","3632.4","0.4","100","2","100","2","","","","","","","","6","P -1","-P 1","2","tap014","","","- C50 H53.5 Ce K4 N10 O18 -","- C49.824 H53.648 Ce K4 N10 O18 -","- C99.648 H107.296 Ce2 K8 N20 O36 -","2","1","","Pham, Tiffany A.; Altman, Alison B.; Stieber, S Chantal E; Booth, Corwin H.; Kozimor, Stosh A.; Lukens, Wayne W.; Olive, Daniel T.; Tyliszczak, Tolek; Wang, Jian; Minasian, Stefan G.; Raymond, Kenneth N.","A Macrocyclic Chelator That Selectively Binds Ln<sup>4+</sup> over Ln<sup>3+</sup> by a Factor of 10<sup>29</sup>.","Inorganic chemistry","2016","55","20","9989","10002","10.1021/acs.inorgchem.6b00684","","","0.71073","MoKα","","0.1036","0.0815","","","0.2353","0.2614","","","","","","1.134","","","","has coordinates,has disorder","232535","2020-10-21","18:00:00",""
"4347839","15.736","0.0006","17.9229","0.0005","16.645","0.0006","90","","113.592","0.001","90","","4302.1","0.3","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C44 H47 Au2 Cl4 N2 P -","- C44 H47 Au2 Cl4 N2 P -","- C176 H188 Au8 Cl16 N8 P4 -","4","1","","Han, Zeyu; Bates, Joshua I.; Strehl, Dominik; Patrick, Brian O.; Gates, Derek P.","Homo- and Heteropolynuclear Complexes Containing Bidentate Bridging 4-Phosphino-N-Heterocyclic Carbene Ligands.","Inorganic chemistry","2016","55","10","5071","5078","10.1021/acs.inorgchem.6b00686","","","0.71073","MoKα","","0.062","0.0344","","","0.0782","0.0891","","","","","","1.016","","","","has coordinates","232536","2020-10-21","18:00:00",""
"4347840","17.3805","0.0014","26.341","0.002","18.4972","0.0014","90","","108.149","0.002","90","","8047.1","1.1","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C88 H96 Au Cl5 N4 O P2 -","- C88 H94 Au Cl5 N4 O P2 -","- C352 H376 Au4 Cl20 N16 O4 P8 -","4","1","","Han, Zeyu; Bates, Joshua I.; Strehl, Dominik; Patrick, Brian O.; Gates, Derek P.","Homo- and Heteropolynuclear Complexes Containing Bidentate Bridging 4-Phosphino-N-Heterocyclic Carbene Ligands.","Inorganic chemistry","2016","55","10","5071","5078","10.1021/acs.inorgchem.6b00686","","","0.71073","MoKα","","0.06","0.0363","","","0.0861","0.0964","","","","","","1.104","","","","has coordinates","232536","2020-10-21","18:00:00",""
"4347841","21.8187","0.0014","16.8991","0.001","22.4603","0.0013","90","","91.469","0.001","90","","8278.8","0.9","90","2","90","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C82 H104 Au4 Cl4 F4 N4 O2 P2 -","- C82 H104 Au4 Cl4 F4 N4 O2 P2 -","- C328 H416 Au16 Cl16 F16 N16 O8 P8 -","4","0.5","","Han, Zeyu; Bates, Joshua I.; Strehl, Dominik; Patrick, Brian O.; Gates, Derek P.","Homo- and Heteropolynuclear Complexes Containing Bidentate Bridging 4-Phosphino-N-Heterocyclic Carbene Ligands.","Inorganic chemistry","2016","55","10","5071","5078","10.1021/acs.inorgchem.6b00686","","","0.71073","MoKα","","0.0498","0.033","","","0.0749","0.0822","","","","","","1.043","","","","has coordinates,has disorder","232536","2020-10-21","18:00:00",""
"4347842","14.499","0.0015","20.5435","0.0018","18.1531","0.0017","90","","108.275","0.003","90","","5134.4","0.9","90","2","90","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C49 H57 Au Cl7 N2 P Pd S -","- C49 H57 Au Cl7 N2 P Pd S -","- C196 H228 Au4 Cl28 N8 P4 Pd4 S4 -","4","1","","Han, Zeyu; Bates, Joshua I.; Strehl, Dominik; Patrick, Brian O.; Gates, Derek P.","Homo- and Heteropolynuclear Complexes Containing Bidentate Bridging 4-Phosphino-N-Heterocyclic Carbene Ligands.","Inorganic chemistry","2016","55","10","5071","5078","10.1021/acs.inorgchem.6b00686","","","0.71073","MoKα","","0.0745","0.0509","","","0.1248","0.1344","","","","","","1.081","","","","has coordinates,has disorder","232536","2020-10-21","18:00:00",""
"4347843","9.6129","0.0014","16.501","0.003","28.666","0.004","90","","99.044","0.004","90","","4490.5","1.2","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C23 H28 N2 O2 S3 -","- C23 H28 N2 O2 S3 -","- C184 H224 N16 O16 S24 -","8","2","","Ju, Huiyeong; Chang, Duk Jin; Kim, Seulgi; Ryu, Hyunsoo; Lee, Eunji; Park, In-Hyeok; Jung, Jong Hwa; Ikeda, Mari; Habata, Yoichi; Lee, Shim Sung","Cation-Selective and Anion-Controlled Fluorogenic Behaviors of a Benzothiazole-Attached Macrocycle That Correlate with Structural Coordination Modes.","Inorganic chemistry","2016","55","15","7448","7456","10.1021/acs.inorgchem.6b00690","","","0.71073","MoKα","","0.0754","0.0566","","","0.1228","0.1309","","","","","","1.119","","","","has coordinates","232537","2020-10-21","18:00:00",""
"4347844","15.6285","0.0003","45.2239","0.0007","13.7133","0.0002","90","","99.441","0.001","90","","9561","0.3","173","2","173","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C23.66667 H29.33333 Cl3.33333 Hg N2 O10 S3 -","- C23.6667 H29.3333 Cl3.33333 Hg N2 O10 S3 -","- C284 H352 Cl40 Hg12 N24 O120 S36 -","12","3","","Ju, Huiyeong; Chang, Duk Jin; Kim, Seulgi; Ryu, Hyunsoo; Lee, Eunji; Park, In-Hyeok; Jung, Jong Hwa; Ikeda, Mari; Habata, Yoichi; Lee, Shim Sung","Cation-Selective and Anion-Controlled Fluorogenic Behaviors of a Benzothiazole-Attached Macrocycle That Correlate with Structural Coordination Modes.","Inorganic chemistry","2016","55","15","7448","7456","10.1021/acs.inorgchem.6b00690","","","0.71073","MoKα","","0.0783","0.0492","","","0.112","0.1261","","","","","","1.03","","","","has coordinates","251896","2020-10-21","18:00:00",""
"4347845","17.099","0.0012","8.9972","0.0006","17.7378","0.0013","90","","95.581","0.001","90","","2715.9","0.3","173","2","173","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C23 H28 Hg I2 N2 O2 S3 -","- C23 H28 Hg I2 N2 O2 S3 -","- C92 H112 Hg4 I8 N8 O8 S12 -","4","1","","Ju, Huiyeong; Chang, Duk Jin; Kim, Seulgi; Ryu, Hyunsoo; Lee, Eunji; Park, In-Hyeok; Jung, Jong Hwa; Ikeda, Mari; Habata, Yoichi; Lee, Shim Sung","Cation-Selective and Anion-Controlled Fluorogenic Behaviors of a Benzothiazole-Attached Macrocycle That Correlate with Structural Coordination Modes.","Inorganic chemistry","2016","55","15","7448","7456","10.1021/acs.inorgchem.6b00690","","","0.71073","MoKα","","0.0302","0.0253","","","0.0567","0.0587","","","","","","1.024","","","","has coordinates","232537","2020-10-21","18:00:00",""
"4347846","11.4566","0.0002","9.4566","0.0002","18.9883","0.0004","90","","93.908","0.002","90","","2052.42","0.07","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C22 H12 F5 N2 Pt S Tl -","- C22 H12 F5 N2 Pt S Tl -","- C88 H48 F20 N8 Pt4 S4 Tl4 -","4","1","","Berenguer, Jesús R; Lalinde, Elena; Martín, Antonio; Moreno, M. Teresa; Sánchez, Sergio; Shahsavari, Hamid R.","Binuclear Complexes and Extended Chains Featuring Pt(II)-Tl(I) Bonds: Influence of the Pyridine-2-Thiolate and Cyclometalated Ligands on the Self-Assembly and Luminescent Behavior.","Inorganic chemistry","2016","55","16","7866","7878","10.1021/acs.inorgchem.6b00699","","","0.71073","MoKα","","0.0291","0.0253","","","0.0626","0.0649","","","","","","1.049","","","","has coordinates","232538","2020-10-21","18:00:00",""
"4347847","11.5608","0.0004","9.357","0.0003","20.3905","0.0004","90","","95.193","0.002","90","","2196.68","0.11","173","1","173","1","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C24 H12 F5 N2 Pt S Tl -","- C24 H12 F5 N2 Pt S Tl -","- C96 H48 F20 N8 Pt4 S4 Tl4 -","4","1","","Berenguer, Jesús R; Lalinde, Elena; Martín, Antonio; Moreno, M. Teresa; Sánchez, Sergio; Shahsavari, Hamid R.","Binuclear Complexes and Extended Chains Featuring Pt(II)-Tl(I) Bonds: Influence of the Pyridine-2-Thiolate and Cyclometalated Ligands on the Self-Assembly and Luminescent Behavior.","Inorganic chemistry","2016","55","16","7866","7878","10.1021/acs.inorgchem.6b00699","","x-ray","0.71073","MoKα","","0.0307","0.0232","","","0.0546","0.0578","","","","","","1.075","","","","has coordinates","232538","2020-10-21","18:00:00",""
"4347848","13.456","0.0004","7.707","0.0001","21.957","0.0006","90","","101.286","0.001","90","","2233.03","0.1","173","1","173","1","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C23 H11 F8 N2 Pt S Tl -","- C23 H11 F8 N2 Pt S Tl -","- C92 H44 F32 N8 Pt4 S4 Tl4 -","4","1","","Berenguer, Jesús R; Lalinde, Elena; Martín, Antonio; Moreno, M. Teresa; Sánchez, Sergio; Shahsavari, Hamid R.","Binuclear Complexes and Extended Chains Featuring Pt(II)-Tl(I) Bonds: Influence of the Pyridine-2-Thiolate and Cyclometalated Ligands on the Self-Assembly and Luminescent Behavior.","Inorganic chemistry","2016","55","16","7866","7878","10.1021/acs.inorgchem.6b00699","","x-ray","0.71073","MoKα","","0.0243","0.0211","","","0.049","0.0501","","","","","","1.075","","","","has coordinates","232538","2020-10-21","18:00:00",""
"4347849","13.2756","0.0003","6.539","0.0001","27.554","0.0007","90","","103.447","0.002","90","","2326.37","0.09","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C25 H11 F8 N2 Pt S Tl -","- C25 H11 F8 N2 Pt S Tl -","- C100 H44 F32 N8 Pt4 S4 Tl4 -","4","1","","Berenguer, Jesús R; Lalinde, Elena; Martín, Antonio; Moreno, M. Teresa; Sánchez, Sergio; Shahsavari, Hamid R.","Binuclear Complexes and Extended Chains Featuring Pt(II)-Tl(I) Bonds: Influence of the Pyridine-2-Thiolate and Cyclometalated Ligands on the Self-Assembly and Luminescent Behavior.","Inorganic chemistry","2016","55","16","7866","7878","10.1021/acs.inorgchem.6b00699","","","0.71073","MoKα","","0.0319","0.025","","","0.0536","0.0566","","","","","","1.085","","","","has coordinates","232538","2020-10-21","18:00:00",""
"4347850","11.5807","0.0002","14.243","0.0003","27.0122","0.0005","90","","90","","90","","4455.5","0.15","180","2","180","2","","","","","","","","7","P n n m","-P 2 2n","58","","","","- C37.5 H29.5 Er F9 N7.5 O9 S3 -","- C33 H22 Er F9 N6 O9 S3 -","- C132 H88 Er4 F36 N24 O36 S12 -","4","0.5","","Suffren, Yan; Golesorkhi, Bahman; Zare, Davood; Guénée, Laure; Nozary, Homayoun; Eliseeva, Svetlana V.; Petoud, Stéphane; Hauser, Andreas; Piguet, Claude","Taming Lanthanide-Centered Upconversion at the Molecular Level.","Inorganic chemistry","2016","55","20","9964","9972","10.1021/acs.inorgchem.6b00700","","x-ray","1.54184","CuKα","","0.043","0.0378","","","0.0981","0.1027","","","","","","1.037","","","","has coordinates","232539","2020-10-21","18:00:00",""
"4347851","8.9809","0.0004","11.5439","0.0003","11.9873","0.0005","90","","111.512","0.005","90","","1156.21","0.09","123.01","0.1","123.01","0.1","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C26 H22 F N O2 Pt S2 -","- C26 H22 F N O2 Pt S2 -","- C52 H44 F2 N2 O4 Pt2 S4 -","2","1","","Shafikov, Marsel Z.; Kozhevnikov, Dmitry N.; Bodensteiner, Michael; Brandl, Fabian; Czerwieniec, Rafał","Modulation of Intersystem Crossing Rate by Minor Ligand Modifications in Cyclometalated Platinum(II) Complexes.","Inorganic chemistry","2016","55","15","7457","7466","10.1021/acs.inorgchem.6b00704","","x-ray","1.54184","CuKα","","0.032","0.0311","","","0.0811","0.0819","","","","","","1.036","","","","has coordinates,has disorder","232540","2020-10-21","18:00:00",""
"4347852","20.6742","0.0005","17.3852","0.0004","7.07539","0.00016","90","","90","","90","","2543.07","0.1","123","0.14","123","0.14","","","","","","","","7","P c a 21","P 2c -2ac","29","","","","- C29 H26 F N O2 Pt S2 -","- C29 H26 F N O2 Pt S2 -","- C116 H104 F4 N4 O8 Pt4 S8 -","4","1","","Shafikov, Marsel Z.; Kozhevnikov, Dmitry N.; Bodensteiner, Michael; Brandl, Fabian; Czerwieniec, Rafał","Modulation of Intersystem Crossing Rate by Minor Ligand Modifications in Cyclometalated Platinum(II) Complexes.","Inorganic chemistry","2016","55","15","7457","7466","10.1021/acs.inorgchem.6b00704","","x-ray","1.54184","CuKα","","0.0671","0.0576","","","0.1571","0.1694","","","","","","1.092","","","","has coordinates,has disorder","232540","2020-10-21","18:00:00",""
"4347853","10.1257","0.0004","13.9327","0.0006","15.1393","0.001","111.094","0.008","98.398","0.007","107.056","0.008","1827.7","0.2","100","","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C80 H74 N8 Ni2 O20 Sm2 -","- C80 H74 N8 Ni2 O20 Sm2 -","- C80 H74 N8 Ni2 O20 Sm2 -","1","0.5","","Griffiths, Kieran; Kumar, Prashant; Mattock, James D.; Abdul-Sada, Alaa; Pitak, Mateusz B.; Coles, Simon J.; Navarro, Oscar; Vargas, Alfredo; Kostakis, George E.","Efficient Ni(II)2Ln(III)2 Electrocyclization Catalysts for the Synthesis of trans-4,5-Diaminocyclopent-2-enones from 2-Furaldehyde and Primary or Secondary Amines.","Inorganic chemistry","2016","55","14","6988","6994","10.1021/acs.inorgchem.6b00720","","","0.71075","MoKα","","0.0373","0.0316","","","0.0765","0.0789","","","","","","1.067","","","","has coordinates","232541","2020-10-21","18:00:00",""
"4347854","12.8651","0.0012","13.5435","0.0012","14.0419","0.0012","100.536","0.007","106.682","0.008","114.818","0.008","1993.6","0.4","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C88 H76 N8 O20 Sm4 -","- C88 H76 N8 O20 Sm4 -","- C88 H76 N8 O20 Sm4 -","1","0.5","","Griffiths, Kieran; Kumar, Prashant; Mattock, James D.; Abdul-Sada, Alaa; Pitak, Mateusz B.; Coles, Simon J.; Navarro, Oscar; Vargas, Alfredo; Kostakis, George E.","Efficient Ni(II)2Ln(III)2 Electrocyclization Catalysts for the Synthesis of trans-4,5-Diaminocyclopent-2-enones from 2-Furaldehyde and Primary or Secondary Amines.","Inorganic chemistry","2016","55","14","6988","6994","10.1021/acs.inorgchem.6b00720","","","0.71075","MoKα","","0.0303","0.0246","","","0.0582","0.0604","","","","","","1.037","","","","has coordinates,has disorder","232541","2020-10-21","18:00:00",""
"4347855","17.327","0.018","14.386","0.015","47.92","0.05","90","","97.977","0.015","90","","11829","2","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C105 H90 N8 Ni5 O28 Sm2 -","- C105 H90 N8 Ni5 O28 Sm2 -","- C420 H360 N32 Ni20 O112 Sm8 -","4","1","","Griffiths, Kieran; Kumar, Prashant; Mattock, James D.; Abdul-Sada, Alaa; Pitak, Mateusz B.; Coles, Simon J.; Navarro, Oscar; Vargas, Alfredo; Kostakis, George E.","Efficient Ni(II)2Ln(III)2 Electrocyclization Catalysts for the Synthesis of trans-4,5-Diaminocyclopent-2-enones from 2-Furaldehyde and Primary or Secondary Amines.","Inorganic chemistry","2016","55","14","6988","6994","10.1021/acs.inorgchem.6b00720","","","0.71075","MoKα","","0.136","0.0952","","","0.2511","0.2744","","","","","","1.011","","","","has coordinates","232541","2020-10-21","18:00:00",""
"4347856","16.89378","0.00009","16.89378","0.00009","25.8611","0.0002","90","","90","","90","","7380.75","0.08","100","2","100","2","","","","","","","","7","P -4 21 c","P -4 2n","114","","","","- C120 H122 Cl4 Eu4 N10 Ni8 O50 -","- C120 H122 Cl4 Eu4 N10 Ni8 O50 -","- C240 H244 Cl8 Eu8 N20 Ni16 O100 -","2","0.25","","Griffiths, Kieran; Kumar, Prashant; Mattock, James D.; Abdul-Sada, Alaa; Pitak, Mateusz B.; Coles, Simon J.; Navarro, Oscar; Vargas, Alfredo; Kostakis, George E.","Efficient Ni(II)2Ln(III)2 Electrocyclization Catalysts for the Synthesis of trans-4,5-Diaminocyclopent-2-enones from 2-Furaldehyde and Primary or Secondary Amines.","Inorganic chemistry","2016","55","14","6988","6994","10.1021/acs.inorgchem.6b00720","","","0.71075","MoKα","","0.028","0.0268","","","0.0897","0.0904","","","","","","1.174","","","","has coordinates,has disorder","232541","2020-10-21","18:00:00",""
"4347857","11.9923","0.0004","12.8768","0.0004","16.6543","0.0006","107.146","0.003","107.314","0.003","95.136","0.003","2301.43","0.15","173","","173","","","","","","","","","7","P -1","-P 1","2","","","","- C74 H74 Cl2 N6 Ni2 O14 Y2 -","- C74 H74 Cl2 N6 Ni2 O14 Y2 -","- C74 H74 Cl2 N6 Ni2 O14 Y2 -","1","0.5","","Griffiths, Kieran; Kumar, Prashant; Mattock, James D.; Abdul-Sada, Alaa; Pitak, Mateusz B.; Coles, Simon J.; Navarro, Oscar; Vargas, Alfredo; Kostakis, George E.","Efficient Ni(II)2Ln(III)2 Electrocyclization Catalysts for the Synthesis of trans-4,5-Diaminocyclopent-2-enones from 2-Furaldehyde and Primary or Secondary Amines.","Inorganic chemistry","2016","55","14","6988","6994","10.1021/acs.inorgchem.6b00720","","x-ray","1.54184","CuKα","","0.1003","0.087","","","0.235","0.2471","","","","","","1.04","","","","has coordinates","232541","2020-10-21","18:00:00",""
"4347858","28.0407","0.0005","13.00973","0.00016","24.9789","0.0006","90","","111.55","0.003","90","","8475.4","0.3","173","","173","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C328 H302 Cl8 N28 Ni8 O61 Y8 -","- C328 H302 Cl8 N28 Ni8 O61 Y8 -","- C328 H302 Cl8 N28 Ni8 O61 Y8 -","1","0.125","","Griffiths, Kieran; Kumar, Prashant; Mattock, James D.; Abdul-Sada, Alaa; Pitak, Mateusz B.; Coles, Simon J.; Navarro, Oscar; Vargas, Alfredo; Kostakis, George E.","Efficient Ni(II)2Ln(III)2 Electrocyclization Catalysts for the Synthesis of trans-4,5-Diaminocyclopent-2-enones from 2-Furaldehyde and Primary or Secondary Amines.","Inorganic chemistry","2016","55","14","6988","6994","10.1021/acs.inorgchem.6b00720","","x-ray","1.54184","CuKα","","0.0791","0.0721","","","0.2106","0.2205","","","","","","1.077","","","","has coordinates,has disorder","232541","2020-10-21","18:00:00",""
"4347859","12.4631","0.0007","12.9437","0.0006","15.0457","0.001","100.653","0.004","101.291","0.005","103.269","0.004","2248.5","0.2","173","","173","","","","","","","","","7","P -1","-P 1","2","","","","- C90 H82 Cl2 N6 Ni2 O14 Y2 -","- C90 H82 Cl2 N6 Ni2 O14 Y2 -","- C90 H82 Cl2 N6 Ni2 O14 Y2 -","1","0.5","","Griffiths, Kieran; Kumar, Prashant; Mattock, James D.; Abdul-Sada, Alaa; Pitak, Mateusz B.; Coles, Simon J.; Navarro, Oscar; Vargas, Alfredo; Kostakis, George E.","Efficient Ni(II)2Ln(III)2 Electrocyclization Catalysts for the Synthesis of trans-4,5-Diaminocyclopent-2-enones from 2-Furaldehyde and Primary or Secondary Amines.","Inorganic chemistry","2016","55","14","6988","6994","10.1021/acs.inorgchem.6b00720","","x-ray","1.54184","CuKα","","0.0542","0.0476","","","0.1253","0.1292","","","","","","1.015","","","","has coordinates","232541","2020-10-21","18:00:00",""
"4347860","10.728","0.008","12.232","0.009","14.655","0.011","97.723","0.008","95.778","0.016","98.25","0.012","1872","2","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C36 H27 Cl N8 O6 Ru -","- C36 H27 Cl N8 O6 Ru -","- C72 H54 Cl2 N16 O12 Ru2 -","2","1","","Ansari, Mohd Asif; Mandal, Abhishek; Paretzki, Alexa; Beyer, Katharina; Fiedler, Jan; Kaim, Wolfgang; Lahiri, Goutam Kumar","1,5-Diamido-9,10-anthraquinone, a Centrosymmetric Redox-Active Bridge with Two Coupled β-Ketiminato Chelate Functions: Symmetric and Asymmetric Diruthenium Complexes.","Inorganic chemistry","2016","55","11","5655","5670","10.1021/acs.inorgchem.6b00726","","","0.7107","MoKα","","0.0907","0.0744","","","0.1827","0.1973","","","","","","1.072","","","","has coordinates","232542","2020-10-21","18:00:00",""
"4347861","8.1099","0.0011","17.974","0.003","22.268","0.003","90","","92.85","0.002","90","","3241.9","0.8","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C36 H27 Cl N7 O6 Ru -","- C36 H28 Cl N7 O6 Ru -","- C144 H112 Cl4 N28 O24 Ru4 -","4","1","","Ansari, Mohd Asif; Mandal, Abhishek; Paretzki, Alexa; Beyer, Katharina; Fiedler, Jan; Kaim, Wolfgang; Lahiri, Goutam Kumar","1,5-Diamido-9,10-anthraquinone, a Centrosymmetric Redox-Active Bridge with Two Coupled β-Ketiminato Chelate Functions: Symmetric and Asymmetric Diruthenium Complexes.","Inorganic chemistry","2016","55","11","5655","5670","10.1021/acs.inorgchem.6b00726","","","0.71075","MoKα","","0.0397","0.0347","","","0.1044","0.115","","","","","","1.047","","","","has coordinates","232543","2020-10-21","18:00:00",""
"4347862","25.508","0.008","19.588","0.006","27.68","0.009","90","","99.425","0.005","90","","13644","7","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C58 H44 Cl2 N14 O10 Ru2 -","- C58 H44 Cl2 N14 O10 Ru2 -","- C464 H352 Cl16 N112 O80 Ru16 -","8","1","","Ansari, Mohd Asif; Mandal, Abhishek; Paretzki, Alexa; Beyer, Katharina; Fiedler, Jan; Kaim, Wolfgang; Lahiri, Goutam Kumar","1,5-Diamido-9,10-anthraquinone, a Centrosymmetric Redox-Active Bridge with Two Coupled β-Ketiminato Chelate Functions: Symmetric and Asymmetric Diruthenium Complexes.","Inorganic chemistry","2016","55","11","5655","5670","10.1021/acs.inorgchem.6b00726","","","0.7107","MoKα","","0.0877","0.0744","","","0.1922","0.2049","","","","","","1.076","","","","has coordinates","232544","2020-10-21","18:00:00",""
"4347863","12.451","0.005","13.288","0.006","18.535","0.008","90","","90.214","0.006","90","","3067","2","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C54 H40 Cl2 N10 O10 Ru2 -","- C54 H40 Cl2 N10 O10 Ru2 -","- C108 H80 Cl4 N20 O20 Ru4 -","2","0.5","","Ansari, Mohd Asif; Mandal, Abhishek; Paretzki, Alexa; Beyer, Katharina; Fiedler, Jan; Kaim, Wolfgang; Lahiri, Goutam Kumar","1,5-Diamido-9,10-anthraquinone, a Centrosymmetric Redox-Active Bridge with Two Coupled β-Ketiminato Chelate Functions: Symmetric and Asymmetric Diruthenium Complexes.","Inorganic chemistry","2016","55","11","5655","5670","10.1021/acs.inorgchem.6b00726","","","0.7107","MoKα","","0.0948","0.0788","","","0.1994","0.2113","","","","","","1.041","","","","has coordinates","232545","2020-10-21","18:00:00",""
"4347864","12.864","0.0019","12.864","0.0019","12.864","0.0019","90","","90","","90","","2128.8","0.5","140","1","140","1","","","","","","","","5","F m -3 m","-F 4 2 3","225","","","","- C8 H24 Cl6 N2 Pu -","- C8 H24.48 Cl6 N2 Pu -","- C32 H97.92 Cl24 N8 Pu4 -","4","0.0208333","","Mounce, Andrew M.; Yasuoka, Hiroshi; Koutroulakis, Georgios; Lee, Jeongseop A.; Cho, Herman; Gendron, Frédéric; Zurek, Eva; Scott, Brian L.; Trujillo, Julie A.; Slemmons, Alice K.; Cross, Justin N.; Thompson, Joe D.; Kozimor, Stosh A.; Bauer, Eric D.; Autschbach, Jochen; Clark, David L.","Nuclear Magnetic Resonance Measurements and Electronic Structure of Pu(IV) in [(Me)4N]2PuCl6.","Inorganic chemistry","2016","55","17","8371","8380","10.1021/acs.inorgchem.6b00735","","","0.71073","MoKα","","0.0447","0.0434","","","0.1075","0.1078","","","","","","2.658","","","","has coordinates","232546","2020-10-21","18:00:00",""
"4347865","13.58159","0.00005","13.58159","0.00005","13.58159","0.00005","90","","90","","90","","2505.25","0.016","300","","300","","","","","","","","","4","P n -3 :2","-P 2ab 2bc 3","201","Ytterbium(III)guanidinate","","","- C3 H12 N9 Yb -","- C3 H12 N9 Yb -","- C24 H96 N72 Yb8 -","8","0.333333","","Görne, Arno L; George, Janine; van Leusen, Jan; Dück, Gerald; Jacobs, Philipp; Chogondahalli Muniraju, Naveen Kumar; Dronskowski, Richard","Ammonothermal Synthesis, Crystal Structure, and Properties of the Ytterbium(II) and Ytterbium(III) Amides and the First Two Rare-Earth-Metal Guanidinates, YbC(NH)3 and Yb(CN3H4)3.","Inorganic chemistry","2016","55","12","6161","6168","10.1021/acs.inorgchem.6b00736","powder diffraction","","2.665","TOFNeutronDiffraction","","","","","","","","","6.1821","1.64","","","","","","","has coordinates","232547","2020-10-21","18:00:00",""
"4347866","5.25963","0.00015","5.25963","0.00015","6.67042","0.00019","90","","90","","120","","159.806","0.008","293","","293","","","","","","","","","4","P 63/m","-P 6c","176","Ytterbium(II)guanidinate","","","- C H3 N3 Yb -","- C H3 N3 Yb -","- C2 H6 N6 Yb2 -","2","0.166667","","Görne, Arno L; George, Janine; van Leusen, Jan; Dück, Gerald; Jacobs, Philipp; Chogondahalli Muniraju, Naveen Kumar; Dronskowski, Richard","Ammonothermal Synthesis, Crystal Structure, and Properties of the Ytterbium(II) and Ytterbium(III) Amides and the First Two Rare-Earth-Metal Guanidinates, YbC(NH)3 and Yb(CN3H4)3.","Inorganic chemistry","2016","55","12","6161","6168","10.1021/acs.inorgchem.6b00736","powder diffraction","x-ray","1.5406","CuKα1","","0.0554","0.0554","","0.096","0.096","","","","7.64","","","","","","","has coordinates","232548","2020-10-21","18:00:00",""
"4347867","5.19598","0.00013","5.19598","0.00013","10.4129","0.0004","90","","90","","90","","281.13","0.015","293","","293","","","","","","","","","3","I 41/a m d :1","I 4bw 2bw -1bw","141","Ytterbium(II)amide","","","- H4 N2 Yb -","- H4 N2 Yb -","- H16 N8 Yb4 -","4","0.125","","Görne, Arno L; George, Janine; van Leusen, Jan; Dück, Gerald; Jacobs, Philipp; Chogondahalli Muniraju, Naveen Kumar; Dronskowski, Richard","Ammonothermal Synthesis, Crystal Structure, and Properties of the Ytterbium(II) and Ytterbium(III) Amides and the First Two Rare-Earth-Metal Guanidinates, YbC(NH)3 and Yb(CN3H4)3.","Inorganic chemistry","2016","55","12","6161","6168","10.1021/acs.inorgchem.6b00736","powder diffraction","x-ray","1.5406","CuKα1","","0.0453","0.0453","","0.0481","0.0481","","","","1.02","","","","","","","has coordinates","232549","2020-10-21","18:00:00",""
"4347868","13.5307","0.0003","13.5307","0.0003","13.5307","0.0003","90","","90","","90","","2477.2","0.1","10","","10","","","","","","","","","4","P n -3 :2","-P 2ab 2bc 3","201","Ytterbium(III)guanidinate","","","- C3 H12 N9 Yb -","- C3 H12 N9 Yb -","- C24 H96 N72 Yb8 -","8","0.333333","","Görne, Arno L; George, Janine; van Leusen, Jan; Dück, Gerald; Jacobs, Philipp; Chogondahalli Muniraju, Naveen Kumar; Dronskowski, Richard","Ammonothermal Synthesis, Crystal Structure, and Properties of the Ytterbium(II) and Ytterbium(III) Amides and the First Two Rare-Earth-Metal Guanidinates, YbC(NH)3 and Yb(CN3H4)3.","Inorganic chemistry","2016","55","12","6161","6168","10.1021/acs.inorgchem.6b00736","powder diffraction","","2.665","TOFNeutronDiffraction","","","","","","","","","3.9879","2.55","","","","","","","has coordinates","232550","2020-10-21","18:00:00",""
"4347869","16.289","0.002","18.797","0.003","16.207","0.002","90","","90","","90","","4962.3","1.2","123","2","123","2","","","","","","","","7","P m m n :2","-P 2ab 2a","59","","","","- C36 F24 N14 O28 P4 Pt4 Ru4 -","- C36 F24 N14 O28 P4 Pt4 Ru4 -","- C72 F48 N28 O56 P8 Pt8 Ru8 -","2","0.25","","Uemura, Kazuhiro; Uesugi, Naoyuki; Matsuyama, Akina; Ebihara, Masahiro; Yoshikawa, Hirofumi; Awaga, Kunio","Integration of Paramagnetic Diruthenium Complexes into an Extended Chain by Heterometallic Metal-Metal Bonds with Diplatinum Complexes.","Inorganic chemistry","2016","55","14","7003","7011","10.1021/acs.inorgchem.6b00741","","","0.7107","MoKα","","0.0789","0.0697","","","0.2327","0.2476","","","","","","1.793","","","","has coordinates","232551","2020-10-21","18:00:00",""
"4347870","20.221","0.005","10.807","0.007","12.736","0.011","90","","90","","90","","2783","3","296","2","293","2","","","","","","","","9","P m m a","-P 2a 2a","51","","","","- C22 H24 Cl F12 N6 O14 P2 Pt2 Ru2 -","- C22 H24 Cl F12 N6 O14 P2 Pt2 Ru2 -","- C44 H48 Cl2 F24 N12 O28 P4 Pt4 Ru4 -","2","0.25","","Uemura, Kazuhiro; Uesugi, Naoyuki; Matsuyama, Akina; Ebihara, Masahiro; Yoshikawa, Hirofumi; Awaga, Kunio","Integration of Paramagnetic Diruthenium Complexes into an Extended Chain by Heterometallic Metal-Metal Bonds with Diplatinum Complexes.","Inorganic chemistry","2016","55","14","7003","7011","10.1021/acs.inorgchem.6b00741","","","0.7107","MoKα","","0.1209","0.108","","","0.2541","0.2591","","","","","","1.685","","","","has coordinates","232552","2020-10-21","18:00:00",""
"4347871","21.404","0.005","21.404","0.005","35.979","0.008","90","","90","","120","","14275","6","293","2","293","2","","","","","","","","8","P 63/m m c","-P 6c 2c","194","","","","- C84 H228 F78 N38 O42 P13 Pt12 Ru9 -","- C84 H228 F78.02 N38 O42 P13 Pt12 Ru9 -","- C168 H456 F156.04 N76 O84 P26 Pt24 Ru18 -","2","0.0833333","","Uemura, Kazuhiro; Uesugi, Naoyuki; Matsuyama, Akina; Ebihara, Masahiro; Yoshikawa, Hirofumi; Awaga, Kunio","Integration of Paramagnetic Diruthenium Complexes into an Extended Chain by Heterometallic Metal-Metal Bonds with Diplatinum Complexes.","Inorganic chemistry","2016","55","14","7003","7011","10.1021/acs.inorgchem.6b00741","","","0.7107","MoKα","","0.3256","0.2496","","","0.427","0.4557","","","","","","1.993","","","","has coordinates","232553","2020-10-21","18:00:00",""
"4347872","36.098","0.015","12.99","0.005","26.05","0.011","90","","90","","90","","12215","9","296","2","293","2","","","","","","","","9","C m c e","-C 2ac 2","64","","","","- C48 H128 Cl2 F42 N24 O16 P7 Pt8 Ru2 -","- C48 H128 Cl2 F42 N24 O16 P7 Pt8 Ru2 -","- C192 H512 Cl8 F168 N96 O64 P28 Pt32 Ru8 -","4","0.25","","Uemura, Kazuhiro; Uesugi, Naoyuki; Matsuyama, Akina; Ebihara, Masahiro; Yoshikawa, Hirofumi; Awaga, Kunio","Integration of Paramagnetic Diruthenium Complexes into an Extended Chain by Heterometallic Metal-Metal Bonds with Diplatinum Complexes.","Inorganic chemistry","2016","55","14","7003","7011","10.1021/acs.inorgchem.6b00741","","","0.7107","MoKα","","0.2253","0.1972","","","0.3459","0.3549","","","","","","1.909","","","","has coordinates","232554","2020-10-21","18:00:00",""
"4347873","11.172","0.006","12.5","0.006","14.088","0.007","75.57","0.03","84.63","0.03","65.083","0.017","1727.8","1.5","123","2","123","2","","","","","","","","8","P -1","-P 1","2","","","","- C28 H76 F24 N12 O16 P4 Pt4 Ru2 -","- C28 H76 F24 N12 O16 P4 Pt4 Ru2 -","- C28 H76 F24 N12 O16 P4 Pt4 Ru2 -","1","0.5","","Uemura, Kazuhiro; Uesugi, Naoyuki; Matsuyama, Akina; Ebihara, Masahiro; Yoshikawa, Hirofumi; Awaga, Kunio","Integration of Paramagnetic Diruthenium Complexes into an Extended Chain by Heterometallic Metal-Metal Bonds with Diplatinum Complexes.","Inorganic chemistry","2016","55","14","7003","7011","10.1021/acs.inorgchem.6b00741","","","0.7107","MoKα","","0.1384","0.0809","","","0.146","0.1916","","","","","","1.044","","","","has coordinates","232555","2020-10-21","18:00:00",""
"4347874","12.248","0.0006","13.44","0.0008","17.965","0.0012","88.007","0.003","74.811","0.004","70.468","0.003","2685.2","0.3","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C60 H67 N6 Zn3 -","- C60 H67 N6 Zn3 -","- C120 H134 N12 Zn6 -","2","1","","Komorski, Szymon; Leszczyński, Michał K; Justyniak, Iwona; Lewiński, Janusz","Synthesis and Structure of Alkylzinc 3,5-Diphenylpyrazolates: Dramatic Influence of Steric and Solvent Effects.","Inorganic chemistry","2016","55","11","5104","5106","10.1021/acs.inorgchem.6b00745","","","0.71073","MoKα","","0.0483","0.042","","","0.1011","0.1048","","","","","","1.093","","","","has coordinates","232556","2020-10-21","18:00:00",""
"4347875","10.847","0.0003","16.084","0.0004","16.389","0.0005","70.219","0.001","85.27","0.002","75.359","0.002","2603.18","0.13","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C64 H54 N8 Zn3 -","- C64 H54 N8 Zn3 -","- C128 H108 N16 Zn6 -","2","1","","Komorski, Szymon; Leszczyński, Michał K; Justyniak, Iwona; Lewiński, Janusz","Synthesis and Structure of Alkylzinc 3,5-Diphenylpyrazolates: Dramatic Influence of Steric and Solvent Effects.","Inorganic chemistry","2016","55","11","5104","5106","10.1021/acs.inorgchem.6b00745","","","0.71073","MoKα","","0.1064","0.0746","","","0.1706","0.184","","","","","","1.059","","","","has coordinates","232556","2020-10-21","18:00:00",""
"4347876","17.1278","0.0004","15.5508","0.0004","10.8341","0.0003","90","","90","","90","","2885.67","0.13","100","2","100","2","","","","","","","","4","P 21 21 2","P 2 2ab","18","","","","- C71 H62 N8 Zn3 -","- C71 H62 N8 Zn3 -","- C142 H124 N16 Zn6 -","2","0.5","","Komorski, Szymon; Leszczyński, Michał K; Justyniak, Iwona; Lewiński, Janusz","Synthesis and Structure of Alkylzinc 3,5-Diphenylpyrazolates: Dramatic Influence of Steric and Solvent Effects.","Inorganic chemistry","2016","55","11","5104","5106","10.1021/acs.inorgchem.6b00745","","","0.71073","MoKα","","0.0568","0.0448","","","0.0715","0.0775","","","","","","1.048","","","","has coordinates","232556","2020-10-21","18:00:00",""
"4347877","25.83","0.002","7.942","0.0006","18.0693","0.0017","90","","107.332","0.008","90","","3538.5","0.5","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C38 H40 N4 O Zn2 -","- C38 H40 N4 O Zn2 -","- C152 H160 N16 O4 Zn8 -","4","0.5","","Komorski, Szymon; Leszczyński, Michał K; Justyniak, Iwona; Lewiński, Janusz","Synthesis and Structure of Alkylzinc 3,5-Diphenylpyrazolates: Dramatic Influence of Steric and Solvent Effects.","Inorganic chemistry","2016","55","11","5104","5106","10.1021/acs.inorgchem.6b00745","","","0.71073","MoKα","","0.0478","0.0366","","","0.09","0.0957","","","","","","1.052","","","","has coordinates","232556","2020-10-21","18:00:00",""
"4347878","16.159","0.003","14.035","0.003","15.438","0.003","90","","109.09","0.03","90","","3308.7","1.3","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C24 H26 Cl2 Cu N8 O11 -","- C24 H26 Cl2 Cu N8 O11 -","- C96 H104 Cl8 Cu4 N32 O44 -","4","0.5","","Li, Zuo-Xi; Zou, Kang-Yu; Zhang, Xue; Han, Tong; Yang, Ying","Hierarchically Flower-like N-Doped Porous Carbon Materials Derived from an Explosive 3-Fold Interpenetrating Diamondoid Copper Metal-Organic Framework for a Supercapacitor.","Inorganic chemistry","2016","55","13","6552","6562","10.1021/acs.inorgchem.6b00746","","","0.71073","MoKα","","0.0815","0.0623","","","0.1471","0.157","","","","","","1.123","","","","has coordinates","232557","2020-10-21","18:00:00",""
"4347879","18.5944","0.0006","18.5944","0.0006","38.012","0.0014","90","","90","","120","","11381.9","0.7","99.98","0.14","99.98","0.14","","","","","","","","5","R -3 m :H","-R 3 2""","166","","","","- C20 H16 Cu2 N2 O10 -","- C20 H12 Cu2 N2 O10 -","- C180 H108 Cu18 N18 O90 -","9","0.25","","Wen, Hui-Min; Wang, Huizhen; Li, Bin; Cui, Yuanjing; Wang, Hailong; Qian, Guodong; Chen, Banglin","A Microporous Metal-Organic Framework with Lewis Basic Nitrogen Sites for High C2H2 Storage and Significantly Enhanced C2H2/CO2 Separation at Ambient Conditions.","Inorganic chemistry","2016","55","15","7214","7218","10.1021/acs.inorgchem.6b00748","","","1.54184","CuKα","","0.0778","0.0661","","","0.2036","0.2126","","","","","","0.927","","","","has coordinates","232558","2020-10-21","18:00:00",""
"4347880","10.5931","0.0013","25.176","0.003","12.9215","0.0015","90","","102.843","0.002","90","","3359.8","0.7","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","Bis(triphenylphosphine)iminium hydrogentrimetaphosphate","","- C76 H69 N2 O10 P7 -","- C75.988 H68.976 N2 O9.997 P7 -","- C151.976 H137.952 N4 O19.994 P14 -","2","1","","Chakarawet, Khetpakorn; Knopf, Ioana; Nava, Matthew; Jiang, Yanfeng; Stauber, Julia M.; Cummins, Christopher C.","Crystalline Metaphosphate Acid Salts: Synthesis in Organic Media, Structures, Hydrogen-Bonding Capability, and Implication of Superacidity.","Inorganic chemistry","2016","55","12","6178","6185","10.1021/acs.inorgchem.6b00749","","","0.71073","MoKα","","0.0342","0.0326","","","0.0857","0.0868","","","","","","1.059","","","","has coordinates,has disorder","232559","2020-10-21","18:00:00",""
"4347881","31.159","0.003","14.105","0.0012","16.8481","0.0013","90","","90","","90","","7404.7","1.1","100","2","100","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","Bis(triphenylphosphine)iminium trihydrogenpyrophosphate","","- C36 H33 N O7 P4 -","- C36 H33 N O7 P4 -","- C288 H264 N8 O56 P32 -","8","1","","Chakarawet, Khetpakorn; Knopf, Ioana; Nava, Matthew; Jiang, Yanfeng; Stauber, Julia M.; Cummins, Christopher C.","Crystalline Metaphosphate Acid Salts: Synthesis in Organic Media, Structures, Hydrogen-Bonding Capability, and Implication of Superacidity.","Inorganic chemistry","2016","55","12","6178","6185","10.1021/acs.inorgchem.6b00749","","","0.71073","MoKα","","0.1033","0.0532","","","0.1256","0.1518","","","","","","1.023","","","","has coordinates,has disorder","232560","2020-10-21","18:00:00",""
"4347882","14.7633","0.0009","16.1312","0.001","17.2418","0.0011","97.032","0.0014","107.049","0.0013","109.781","0.0013","3580.2","0.4","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","Bis(triphenylphosphine)iminium dihydrogenhexametaphosphate dihydrate","","- C144 H126 N4 O20 P14 -","- C144 H126 N4 O20 P14 -","- C144 H126 N4 O20 P14 -","1","0.5","","Chakarawet, Khetpakorn; Knopf, Ioana; Nava, Matthew; Jiang, Yanfeng; Stauber, Julia M.; Cummins, Christopher C.","Crystalline Metaphosphate Acid Salts: Synthesis in Organic Media, Structures, Hydrogen-Bonding Capability, and Implication of Superacidity.","Inorganic chemistry","2016","55","12","6178","6185","10.1021/acs.inorgchem.6b00749","","","0.71073","MoKα","","0.0648","0.0441","","","0.1067","0.1166","","","","","","1.037","","","","has coordinates,has disorder","232561","2020-10-21","18:00:00",""
"4347883","17.841","0.003","17.919","0.003","26.667","0.004","82.161","0.003","72.116","0.003","63.235","0.002","7244","2","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","Bis(triphenylphosphine)iminium octahydrogentris(tetrametaphosphate)","","- C148 H138 N4 O38 P20 -","- C148 H138 N4 O38 P20 -","- C296 H276 N8 O76 P40 -","2","1","","Chakarawet, Khetpakorn; Knopf, Ioana; Nava, Matthew; Jiang, Yanfeng; Stauber, Julia M.; Cummins, Christopher C.","Crystalline Metaphosphate Acid Salts: Synthesis in Organic Media, Structures, Hydrogen-Bonding Capability, and Implication of Superacidity.","Inorganic chemistry","2016","55","12","6178","6185","10.1021/acs.inorgchem.6b00749","","","0.71073","MoKα","","0.1095","0.0544","","","0.127","0.1554","","","","","","1.023","","","","has coordinates,has disorder","232562","2020-10-21","18:00:00",""
"4347884","8.8016","0.0004","30.5879","0.0012","13.6623","0.0006","90","","105.51","0.001","90","","3544.3","0.3","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Bis(triphenylphosphine)iminium bis(hydronium)dihydrogenhexametaphosphate","","- C72 H68 N2 O20 P10 -","- C72 H68 N2 O20 P10 -","- C144 H136 N4 O40 P20 -","2","0.5","","Chakarawet, Khetpakorn; Knopf, Ioana; Nava, Matthew; Jiang, Yanfeng; Stauber, Julia M.; Cummins, Christopher C.","Crystalline Metaphosphate Acid Salts: Synthesis in Organic Media, Structures, Hydrogen-Bonding Capability, and Implication of Superacidity.","Inorganic chemistry","2016","55","12","6178","6185","10.1021/acs.inorgchem.6b00749","","","0.71073","MoKα","","0.0391","0.0345","","","0.094","0.0972","","","","","","1.064","","","","has coordinates,has disorder","232563","2020-10-21","18:00:00",""
"4347885","13.1896","0.0014","17.231","0.0017","24.24","0.003","87.387","0.003","75.19","0.003","72.054","0.003","5063.6","1","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","Bis(triphenylphosphine)iminium trihydrogenhexametaphosphate","","- C108 H93 N3 O18 P12 -","- C108 H93 N3 O18 P12 -","- C216 H186 N6 O36 P24 -","2","1","","Chakarawet, Khetpakorn; Knopf, Ioana; Nava, Matthew; Jiang, Yanfeng; Stauber, Julia M.; Cummins, Christopher C.","Crystalline Metaphosphate Acid Salts: Synthesis in Organic Media, Structures, Hydrogen-Bonding Capability, and Implication of Superacidity.","Inorganic chemistry","2016","55","12","6178","6185","10.1021/acs.inorgchem.6b00749","","","0.71073","MoKα","","0.0462","0.0385","","","0.1001","0.1058","","","","","","1.029","","","","has coordinates,has disorder","232564","2020-10-21","18:00:00",""
"4347886","13.4063","0.0004","23.717","0.0007","16.0178","0.0006","90","","100.79","0.001","90","","5002.9","0.3","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C36 H108 Ge12 Nd8 O78 -","- C36 H28 Ge12 Nd8 O78 -","- C72 H56 Ge24 Nd16 O156 -","2","0.5","","Li, Lei-Lei; Cao, Gao-Juan; Zhao, Jun-Wei; He, Huan; Yang, Bai-Feng; Yang, Guo-Yu","Lanthanide Germanate Cluster Organic Frameworks Based on {Ln8Ge12} Clusters: From One-Dimensional Chains to Two-Dimensional Layers and Three-Dimensional Frameworks.","Inorganic chemistry","2016","55","11","5671","5683","10.1021/acs.inorgchem.6b00754","","","0.71073","MoKα","","0.1078","0.0631","","","0.135","0.1608","","","","","","1.019","","","","has coordinates,has disorder","232565","2020-10-21","18:00:00",""
"4347887","15.9088","0.0019","16.755","0.002","22.433","0.003","87.05","0.004","84.278","0.003","83.494","0.002","5906.6","1.3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C122 H212 Ge24 N20 Nd20 O160 -","- C122 H180 Ge24 N20 Nd20 O160 -","- C122 H180 Ge24 N20 Nd20 O160 -","1","0.5","","Li, Lei-Lei; Cao, Gao-Juan; Zhao, Jun-Wei; He, Huan; Yang, Bai-Feng; Yang, Guo-Yu","Lanthanide Germanate Cluster Organic Frameworks Based on {Ln8Ge12} Clusters: From One-Dimensional Chains to Two-Dimensional Layers and Three-Dimensional Frameworks.","Inorganic chemistry","2016","55","11","5671","5683","10.1021/acs.inorgchem.6b00754","","","0.71073","MoKα","","0.0449","0.0351","","","0.0985","0.1152","","","","","","1.081","","","","has coordinates,has disorder","232566","2020-10-21","18:00:00",""
"4347888","16.425","0.006","18.842","0.006","19.184","0.007","90","","106.542","0.005","90","","5691","3","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C60 H108 Ge12 N6 Nd10 O84 -","- C60 H84 Ge12 N6 Nd10 O84 -","- C120 H168 Ge24 N12 Nd20 O168 -","2","0.5","","Li, Lei-Lei; Cao, Gao-Juan; Zhao, Jun-Wei; He, Huan; Yang, Bai-Feng; Yang, Guo-Yu","Lanthanide Germanate Cluster Organic Frameworks Based on {Ln8Ge12} Clusters: From One-Dimensional Chains to Two-Dimensional Layers and Three-Dimensional Frameworks.","Inorganic chemistry","2016","55","11","5671","5683","10.1021/acs.inorgchem.6b00754","","","0.71073","MoKα","","0.0494","0.0373","","","0.0879","0.0979","","","","","","1.078","","","","has coordinates","232567","2020-10-21","18:00:00",""
"4347889","13.3203","0.0004","23.4821","0.0007","15.9302","0.0005","90","","100.916","0.003","90","","4892.6","0.3","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C36 H108 Ge12 O78 Sm8 -","- C36 H28 Ge12 O78 Sm8 -","- C72 H56 Ge24 O156 Sm16 -","2","0.5","","Li, Lei-Lei; Cao, Gao-Juan; Zhao, Jun-Wei; He, Huan; Yang, Bai-Feng; Yang, Guo-Yu","Lanthanide Germanate Cluster Organic Frameworks Based on {Ln8Ge12} Clusters: From One-Dimensional Chains to Two-Dimensional Layers and Three-Dimensional Frameworks.","Inorganic chemistry","2016","55","11","5671","5683","10.1021/acs.inorgchem.6b00754","","","0.71073","MoKα","","0.0785","0.0708","","","0.1858","0.1945","","","","","","1.012","","","","has coordinates,has disorder","232568","2020-10-21","18:00:00",""
"4347890","17.66","0.005","20.309","0.005","17.565","0.005","90","","115.926","0.004","90","","5666","3","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C54 H108 Ge14 N2 O82 Tb10 -","- C54 H84 Ge14 N2 O82 Tb10 -","- C108 H168 Ge28 N4 O164 Tb20 -","2","0.5","","Li, Lei-Lei; Cao, Gao-Juan; Zhao, Jun-Wei; He, Huan; Yang, Bai-Feng; Yang, Guo-Yu","Lanthanide Germanate Cluster Organic Frameworks Based on {Ln8Ge12} Clusters: From One-Dimensional Chains to Two-Dimensional Layers and Three-Dimensional Frameworks.","Inorganic chemistry","2016","55","11","5671","5683","10.1021/acs.inorgchem.6b00754","","","0.71073","MoKα","","0.0728","0.0547","","","0.1355","0.1504","","","","","","1.078","","","","has coordinates","232569","2020-10-21","18:00:00",""
"4347891","13.2654","0.0002","23.3935","0.0004","15.973","0.0003","90","","100.845","0.002","90","","4868.28","0.15","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C36 H108 Gd8 Ge12 O78 -","- C36 H28 Gd8 Ge12 O78 -","- C72 H56 Gd16 Ge24 O156 -","2","0.5","","Li, Lei-Lei; Cao, Gao-Juan; Zhao, Jun-Wei; He, Huan; Yang, Bai-Feng; Yang, Guo-Yu","Lanthanide Germanate Cluster Organic Frameworks Based on {Ln8Ge12} Clusters: From One-Dimensional Chains to Two-Dimensional Layers and Three-Dimensional Frameworks.","Inorganic chemistry","2016","55","11","5671","5683","10.1021/acs.inorgchem.6b00754","","","0.71073","MoKα","","0.0532","0.0451","","","0.1152","0.1241","","","","","","1.053","","","","has coordinates,has disorder","232570","2020-10-21","18:00:00",""
"4347892","13.2863","0.0002","23.4503","0.0004","15.9547","0.0003","90","","100.913","0.002","90","","4881.07","0.15","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C36 H108 Eu8 Ge12 O78 -","- C36 H28 Eu8 Ge12 O78 -","- C72 H56 Eu16 Ge24 O156 -","2","0.5","","Li, Lei-Lei; Cao, Gao-Juan; Zhao, Jun-Wei; He, Huan; Yang, Bai-Feng; Yang, Guo-Yu","Lanthanide Germanate Cluster Organic Frameworks Based on {Ln8Ge12} Clusters: From One-Dimensional Chains to Two-Dimensional Layers and Three-Dimensional Frameworks.","Inorganic chemistry","2016","55","11","5671","5683","10.1021/acs.inorgchem.6b00754","","","0.71073","MoKα","","0.0563","0.0397","","","0.0897","0.0977","","","","","","1.034","","","","has coordinates,has disorder","232571","2020-10-21","18:00:00",""
"4347893","15.1938","0.0014","16.548","0.002","19.731","0.002","107.175","0.005","91.052","0.003","97.001","0.006","4696.6","0.9","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C72 H188 Ge24 Nd16 O142 -","- C72 H148 Ge24 Nd16 O142 -","- C72 H148 Ge24 Nd16 O142 -","1","0.5","","Li, Lei-Lei; Cao, Gao-Juan; Zhao, Jun-Wei; He, Huan; Yang, Bai-Feng; Yang, Guo-Yu","Lanthanide Germanate Cluster Organic Frameworks Based on {Ln8Ge12} Clusters: From One-Dimensional Chains to Two-Dimensional Layers and Three-Dimensional Frameworks.","Inorganic chemistry","2016","55","11","5671","5683","10.1021/acs.inorgchem.6b00754","","","0.71073","MoKα","","0.1858","0.1167","","","0.2623","0.3361","","","","","","1.062","","","","has coordinates,has disorder","232572","2020-10-21","18:00:00",""
"4347894","17.7742","0.0003","25.4947","0.0004","27.3526","0.0006","90","","90","","90","","12394.8","0.4","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C52 H108 Ge14 O90 Pr12 -","- C51.74 H100 Ge14 O90 Pr12 -","- C206.96 H400 Ge56 O360 Pr48 -","4","0.5","","Li, Lei-Lei; Cao, Gao-Juan; Zhao, Jun-Wei; He, Huan; Yang, Bai-Feng; Yang, Guo-Yu","Lanthanide Germanate Cluster Organic Frameworks Based on {Ln8Ge12} Clusters: From One-Dimensional Chains to Two-Dimensional Layers and Three-Dimensional Frameworks.","Inorganic chemistry","2016","55","11","5671","5683","10.1021/acs.inorgchem.6b00754","","","0.71073","MoKα","","0.0404","0.0316","","","0.0782","0.083","","","","","","1.046","","","","has coordinates","232573","2020-10-21","18:00:00",""
"4347895","16.425","0.006","18.842","0.006","19.184","0.007","90","","106.542","0.005","90","","5691","3","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C62 H110 Ge12 N4 Nd10 O84 -","- C62 H84 Ge12 N4 Nd10 O84 -","- C124 H168 Ge24 N8 Nd20 O168 -","2","0.5","","Li, Lei-Lei; Cao, Gao-Juan; Zhao, Jun-Wei; He, Huan; Yang, Bai-Feng; Yang, Guo-Yu","Lanthanide Germanate Cluster Organic Frameworks Based on {Ln8Ge12} Clusters: From One-Dimensional Chains to Two-Dimensional Layers and Three-Dimensional Frameworks.","Inorganic chemistry","2016","55","11","5671","5683","10.1021/acs.inorgchem.6b00754","","","0.71073","MoKα","","0.0492","0.0371","","","0.0874","0.0973","","","","","","1.082","","","","has coordinates","232574","2020-10-21","18:00:00",""
"4347896","13.4082","0.0003","23.7792","0.0006","16.0076","0.0004","90","","100.704","0.003","90","","5015","0.2","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C36 H108 Ge12 O78 Pr8 -","- C36 H28 Ge12 O78 Pr8 -","- C72 H56 Ge24 O156 Pr16 -","2","0.5","","Li, Lei-Lei; Cao, Gao-Juan; Zhao, Jun-Wei; He, Huan; Yang, Bai-Feng; Yang, Guo-Yu","Lanthanide Germanate Cluster Organic Frameworks Based on {Ln8Ge12} Clusters: From One-Dimensional Chains to Two-Dimensional Layers and Three-Dimensional Frameworks.","Inorganic chemistry","2016","55","11","5671","5683","10.1021/acs.inorgchem.6b00754","","","0.71073","MoKα","","0.0517","0.0413","","","0.0983","0.1061","","","","","","1.047","","","","has coordinates,has disorder","232575","2020-10-21","18:00:00",""
"4347897","17.7374","0.0003","25.2703","0.0004","27.2582","0.0004","90","","90","","90","","12217.9","0.3","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C52 H108 Ge14 Nd12 O90 -","- C52 H96 Ge14 Nd12 O86 -","- C208 H384 Ge56 Nd48 O344 -","4","0.5","","Li, Lei-Lei; Cao, Gao-Juan; Zhao, Jun-Wei; He, Huan; Yang, Bai-Feng; Yang, Guo-Yu","Lanthanide Germanate Cluster Organic Frameworks Based on {Ln8Ge12} Clusters: From One-Dimensional Chains to Two-Dimensional Layers and Three-Dimensional Frameworks.","Inorganic chemistry","2016","55","11","5671","5683","10.1021/acs.inorgchem.6b00754","","","0.71073","MoKα","","0.0812","0.0717","","","0.1811","0.1875","","","","","","1.061","","","","has coordinates","232576","2020-10-21","18:00:00",""
"4347898","4.4426","0.0006","4.4426","0.0006","24.956","0.005","90","","90","","120","","426.56","0.12","153.15","","153.15","","","","","","","","","4","R -3 c :H","-R 3 2""c","167","","","","- B3 Be6 F3 O9 -","- B3 Be6 F3 O9 -","- B6 Be12 F6 O18 -","2","0.0555556","","Guo, Shu; Liu, Lijuan; Xia, Mingjun; Kang, Lei; Huang, Qian; Li, Chao; Wang, Xiaoyang; Lin, Zheshuai; Chen, Chuangtian","Be2BO3F: A Phase of Beryllium Fluoride Borate Derived from KBe2BO3F2 with Short UV Absorption Edge.","Inorganic chemistry","2016","55","13","6586","6591","10.1021/acs.inorgchem.6b00755","","","0.71073","MoKα","","0.0223","0.0217","","","0.0585","0.0589","","","","","","1.176","","","","has coordinates","232577","2020-10-21","18:00:00",""
"4347899","9.9545","0.0003","13.1364","0.0004","11.0094","0.0003","90","","101.703","0.003","90","","1409.73","0.07","293","","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","Mn-INA-1","","","- C54 H32 Mn4 N10 O17 -","- C54 H32 Mn4 N10 O17 -","- C54 H32 Mn4 N10 O17 -","1","0.5","","Pachfule, Pradip; Garai, Bikash; Banerjee, Rahul","Functionalization and Isoreticulation in a Series of Metal-Organic Frameworks Derived from Pyridinecarboxylates.","Inorganic chemistry","2016","55","15","7200","7205","10.1021/acs.inorgchem.6b00758","","","0.71073","MoKα","","0.0464","0.0336","","","0.109","0.1138","","","","","","1.064","","","","has coordinates","232579","2020-10-21","18:00:00",""
"4347900","10.069","0.003","12.946","0.003","11.319","0.003","90","","101.318","0.004","90","","1446.8","0.7","200","2","200","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C27 H10 F4 Mn2 N5 O9 -","- C27 H10 F4 Mn2 N5 O9 -","- C54 H20 F8 Mn4 N10 O18 -","2","1","","Pachfule, Pradip; Garai, Bikash; Banerjee, Rahul","Functionalization and Isoreticulation in a Series of Metal-Organic Frameworks Derived from Pyridinecarboxylates.","Inorganic chemistry","2016","55","15","7200","7205","10.1021/acs.inorgchem.6b00758","","","0.71073","MoKα","","0.103","0.0754","","","0.2107","0.2294","","","","","","1.045","","","","has coordinates","232579","2020-10-21","18:00:00",""
"4347901","10.0269","0.0002","16.4397","0.0003","12.7548","0.0002","90","","90.645","0.002","90","","2102.36","0.07","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H19 Mn N3 O5 -","- C19 H19 Mn N3 O5 -","- C76 H76 Mn4 N12 O20 -","4","1","","Pachfule, Pradip; Garai, Bikash; Banerjee, Rahul","Functionalization and Isoreticulation in a Series of Metal-Organic Frameworks Derived from Pyridinecarboxylates.","Inorganic chemistry","2016","55","15","7200","7205","10.1021/acs.inorgchem.6b00758","","","0.71073","MoKα","","0.076","0.0639","","","0.2302","0.2443","","","","","","1.048","","","","has coordinates","232579","2020-10-21","18:00:00",""
"4347902","10.8336","0.0006","18.2867","0.0005","15.1258","0.0016","90","","111.208","0.007","90","","2793.6","0.4","293","","293","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","Mn-FPAA-1","Mn-FPAA-1","","- C55 H42 F6 Mn3 N8 O15 -","- C55 H42 F6 Mn3 N8 O15 -","- C110 H84 F12 Mn6 N16 O30 -","2","0.5","","Pachfule, Pradip; Garai, Bikash; Banerjee, Rahul","Functionalization and Isoreticulation in a Series of Metal-Organic Frameworks Derived from Pyridinecarboxylates.","Inorganic chemistry","2016","55","15","7200","7205","10.1021/acs.inorgchem.6b00758","","","0.71073","MoKα","","0.0584","0.0449","","","0.1156","0.1268","","","","","","1.079","","","","has coordinates","232579","2020-10-21","18:00:00",""
"4347903","9.7353","0.0005","17.7435","0.0007","11.7645","0.0006","90","","104.07","0.005","90","","1971.21","0.17","293","","293","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C19 H15 Co F2 N3 O5 -","- C19 H15 Co F2 N3 O5 -","- C76 H60 Co4 F8 N12 O20 -","4","1","","Pachfule, Pradip; Garai, Bikash; Banerjee, Rahul","Functionalization and Isoreticulation in a Series of Metal-Organic Frameworks Derived from Pyridinecarboxylates.","Inorganic chemistry","2016","55","15","7200","7205","10.1021/acs.inorgchem.6b00758","","","0.7107","MoKα","","0.05","0.0397","","","0.1103","0.1189","","","","","","1.048","","","","has coordinates","232579","2020-10-21","18:00:00",""
"4347904","12.3156","0.0006","15.5113","0.001","18.9521","0.0012","90","","90","","90","","3620.4","0.4","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C15 H17 Cd N3 O6 -","- C15 H17 Cd N3 O6 -","- C120 H136 Cd8 N24 O48 -","8","1","","Pachfule, Pradip; Garai, Bikash; Banerjee, Rahul","Functionalization and Isoreticulation in a Series of Metal-Organic Frameworks Derived from Pyridinecarboxylates.","Inorganic chemistry","2016","55","15","7200","7205","10.1021/acs.inorgchem.6b00758","","","0.71073","MoKα","","0.0398","0.0233","","","0.051","0.0534","","","","","","0.97","","","","has coordinates","232579","2020-10-21","18:00:00",""
"4347905","4.7709","0.0003","13.2043","0.0009","10.6697","0.0007","90","","94.244","0.007","90","","670.31","0.08","293","0.1","293","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","Cd-FINA","Cd-FINA","","- C12 H4 Cd F2 N2 O4 -","- C12 H4 Cd F2 N2 O4 -","- C24 H8 Cd2 F4 N4 O8 -","2","0.5","","Pachfule, Pradip; Garai, Bikash; Banerjee, Rahul","Functionalization and Isoreticulation in a Series of Metal-Organic Frameworks Derived from Pyridinecarboxylates.","Inorganic chemistry","2016","55","15","7200","7205","10.1021/acs.inorgchem.6b00758","","","0.7107","MoKα","","0.0324","0.028","","","0.0731","0.0755","","","","","","1.212","","","","has coordinates","232579","2020-10-21","18:00:00",""
"4347906","13.209","0.003","13.926","0.003","12.243","0.003","90","","90","","90","","2252.1","0.9","293","2","293","2","","","","","","","","5","P n n a","-P 2a 2bc","52","","","","- C21 H12 Cd N4 O6 -","- C21 H12 Cd N4 O6 -","- C84 H48 Cd4 N16 O24 -","4","0.5","","Pachfule, Pradip; Garai, Bikash; Banerjee, Rahul","Functionalization and Isoreticulation in a Series of Metal-Organic Frameworks Derived from Pyridinecarboxylates.","Inorganic chemistry","2016","55","15","7200","7205","10.1021/acs.inorgchem.6b00758","","","0.71073","MoKα","","0.0502","0.04","","","0.1067","0.1174","","","","","","1.11","","","","has coordinates","232579","2020-10-21","18:00:00",""
"4347907","10.6945","0.0012","18.576","0.002","14.9208","0.0017","90","","107.758","0.002","90","","2822.9","0.5","273","2","273.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","Cd-FPAA-1","Cd-FPAA-1","","- C54 H42 Cd3 F6 N8 O14 -","- C54 H42 Cd3 F6 N8 O14 -","- C108 H84 Cd6 F12 N16 O28 -","2","0.5","","Pachfule, Pradip; Garai, Bikash; Banerjee, Rahul","Functionalization and Isoreticulation in a Series of Metal-Organic Frameworks Derived from Pyridinecarboxylates.","Inorganic chemistry","2016","55","15","7200","7205","10.1021/acs.inorgchem.6b00758","","","0.71073","MoKα","","0.0701","0.0572","","","0.1359","0.1471","","","","","","0.905","","","","has coordinates","232579","2020-10-21","18:00:00",""
"4347908","26.9719","0.0001","26.9719","0.0001","26.9719","0.0001","90","","90","","90","","19621.6","0.13","294","2","294","2","","","","","","","","4","I m -3","-I 2 2 3","204","","","","- C73 H41 Dy2 O18 -","- C73 H41 Dy2 O18 -","- C438 H246 Dy12 O108 -","6","0.125","","Wang, Xi; Chen, Min; Du, Miao","A Clear Insight into the Distinguishing CO2 Capture by Two Isostructural Dy(III)-Carboxylate Coordination Frameworks.","Inorganic chemistry","2016","55","13","6352","6354","10.1021/acs.inorgchem.6b00760","","","1.54178","CuKα","","0.0702","0.0605","","","0.1954","0.205","","","","","","1.049","","","","has coordinates","232580","2020-10-21","18:00:00",""
"4347909","26.6258","0.0002","26.6258","0.0002","26.6258","0.0002","90","","90","","90","","18875.9","0.2","294","2","294","2","","","","","","","","5","I m -3","-I 2 2 3","204","","","","- C65 H33 Dy2 N8 O18 -","- C65 H33 Dy2 N8 O18 -","- C390 H198 Dy12 N48 O108 -","6","0.125","","Wang, Xi; Chen, Min; Du, Miao","A Clear Insight into the Distinguishing CO2 Capture by Two Isostructural Dy(III)-Carboxylate Coordination Frameworks.","Inorganic chemistry","2016","55","13","6352","6354","10.1021/acs.inorgchem.6b00760","","","0.71073","MoKα","","0.0394","0.0304","","","0.1088","0.113","","","","","","1.034","","","","has coordinates","232580","2020-10-21","18:00:00",""
"4347910","13.2087","0.0003","20.7679","0.0006","20.2938","0.0005","90","","94.776","0.002","90","","5547.6","0.2","173","2","173","2","","","","","","","","9","P 1 21 1","P 2yb","4","","","","- C65.5 H54 B Cl Cu F4 N4 O1.5 P2 -","- C65.5 H54 B Cl Cu F4 N4 O1.5 P2 -","- C262 H216 B4 Cl4 Cu4 F16 N16 O6 P8 -","4","2","","Liang, Dong; Chen, Xu-Lin; Liao, Jian-Zhen; Hu, Jin-Yu; Jia, Ji-Hui; Lu, Can-Zhong","Highly Efficient Cuprous Complexes with Thermally Activated Delayed Fluorescence for Solution-Processed Organic Light-Emitting Devices.","Inorganic chemistry","2016","55","15","7467","7475","10.1021/acs.inorgchem.6b00763","","","1.54184","CuKα","","0.0422","0.0377","","","0.0965","0.1012","","","","","","1.037","","","","has coordinates","251896","2020-10-21","18:00:00",""
"4347911","10.6932","0.0002","17.2639","0.0003","30.7265","0.0005","90","","96.846","0.001","90","","5631.86","0.17","173","2","173","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C68 H56 B Cu F4 N4 O P2 -","- C68 H56 B Cu F4 N4 O P2 -","- C272 H224 B4 Cu4 F16 N16 O4 P8 -","4","1","","Liang, Dong; Chen, Xu-Lin; Liao, Jian-Zhen; Hu, Jin-Yu; Jia, Ji-Hui; Lu, Can-Zhong","Highly Efficient Cuprous Complexes with Thermally Activated Delayed Fluorescence for Solution-Processed Organic Light-Emitting Devices.","Inorganic chemistry","2016","55","15","7467","7475","10.1021/acs.inorgchem.6b00763","","","1.54184","CuKα","","0.0494","0.0459","","","0.1246","0.1277","","","","","","1.016","","","","has coordinates","232582","2020-10-21","18:00:00",""
"4347912","18.2729","0.0011","16.5506","0.001","19.4689","0.0012","90","","110.037","0.001","90","","5531.5","0.6","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C112 H88 Cl8 Fe8 N4 O30 -","- C112 H88 Cl8 Fe8 N4 O30 -","- C224 H176 Cl16 Fe16 N8 O60 -","2","0.5","","Mitchell, Kylie J.; Abboud, Khalil A.; Christou, George","Magnetostructural Correlation for High-Nuclearity Iron(III)/Oxo Complexes and Application to Fe5, Fe6, and Fe8 Clusters.","Inorganic chemistry","2016","55","13","6597","6608","10.1021/acs.inorgchem.6b00769","","","0.71073","MoKα","","0.0779","0.0441","","","0.112","0.124","","","","","","1.022","","","","has coordinates,has disorder","232583","2020-10-21","18:00:00",""
"4347913","21.6936","0.0013","17.4045","0.001","23.677","0.0014","90","","90","","90","","8939.6","0.9","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C90 H68 Cl4 Fe6 N2 O26 -","- C90 H68 Cl4 Fe6 N2 O26 -","- C360 H272 Cl16 Fe24 N8 O104 -","4","0.5","","Mitchell, Kylie J.; Abboud, Khalil A.; Christou, George","Magnetostructural Correlation for High-Nuclearity Iron(III)/Oxo Complexes and Application to Fe5, Fe6, and Fe8 Clusters.","Inorganic chemistry","2016","55","13","6597","6608","10.1021/acs.inorgchem.6b00769","","","0.71073","MoKα","","0.07","0.0331","","","0.0668","0.0741","","","","","","0.882","","","","has coordinates,has disorder","232583","2020-10-21","18:00:00",""
"4347914","15.2569","0.0019","18.666","0.003","18.731","0.002","90","","90","","90","","5334.3","1.2","123","2","123","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C46 H64 Cl6 N6 Ru -","- C46 H64 Cl6 N6 Ru -","- C184 H256 Cl24 N24 Ru4 -","4","1","","Aihara, Yusuke; Sato, Kyohei; Shinozaki, Kazuteru","Optical Resolution, Determination of Absolute Configuration, and Photoracemization of cis-RuL2(CN)2 (L = 2,2'-Bipyridine and Its Analogues).","Inorganic chemistry","2016","55","17","8387","8395","10.1021/acs.inorgchem.6b00772","","","0.71075","MoKα","","0.0927","0.085","","","0.1942","0.1998","","","","","","1.157","","","","has coordinates","232584","2020-10-21","18:00:00",""
"4347915","10.4741","0.0006","11.0072","0.0006","13.5855","0.0008","113.058","0.0013","96.0134","0.0017","100.704","0.0015","1388.51","0.14","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C26 H29 Cl F6 N5 P Ru -","- C26 H29 Cl F6 N5 P Ru -","- C52 H58 Cl2 F12 N10 P2 Ru2 -","2","1","","Scattergood, Paul A.; Khushnood, Usman; Tariq, Amina; Cooke, David J.; Rice, Craig R.; Elliott, Paul I. P.","Photochemistry of [Ru(pytz)(btz)2](2+) and Characterization of a κ(1)-btz Ligand-Loss Intermediate.","Inorganic chemistry","2016","55","15","7787","7796","10.1021/acs.inorgchem.6b00782","","","0.71073","MoKα","","0.085","0.0481","","","0.0826","0.0931","","","","","","1.005","","","","has coordinates,has disorder","232585","2020-10-21","18:00:00",""
"4347916","12.3371","0.0005","21.0567","0.0008","21.0921","0.0008","94.42","0.002","90.87","0.002","100.753","0.002","5364.6","0.4","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C100 H88 F24 N32 P4 Ru2 -","- C100 H88 F24 N32 P4 Ru2 -","- C200 H176 F48 N64 P8 Ru4 -","2","1","","Scattergood, Paul A.; Khushnood, Usman; Tariq, Amina; Cooke, David J.; Rice, Craig R.; Elliott, Paul I. P.","Photochemistry of [Ru(pytz)(btz)2](2+) and Characterization of a κ(1)-btz Ligand-Loss Intermediate.","Inorganic chemistry","2016","55","15","7787","7796","10.1021/acs.inorgchem.6b00782","","","1.54178","CuKα","","0.1096","0.0834","","","0.2073","0.2311","","","","","","1.034","","","","has coordinates,has disorder","232586","2020-10-21","18:00:00",""
"4347917","10.4413","0.0004","11.5353","0.0005","26.7685","0.0012","90","","90.139","0.002","90","","3224.1","0.2","100","","100","1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C27 H39 Ce F3 N3 Si3 -","- C27 H39 Ce F3 N3 Si3 -","- C108 H156 Ce4 F12 N12 Si12 -","4","1","","Yin, Haolin; Carroll, Patrick J.; Schelter, Eric J.","Cerium(III) and Uranium(IV) Complexes of the 2-Fluorophenyl Trimethylsilyl Amide Ligand: C-F →Ln/An Interactions that Modulate the Coordination Spheres of f-Block Elements.","Inorganic chemistry","2016","55","11","5684","5692","10.1021/acs.inorgchem.6b00785","","","0.71073","MoKα","","0.0243","0.0205","","","0.0623","0.0775","","","","","","1.337","","","","has coordinates","232587","2020-10-21","18:00:00",""
"4347918","12.0396","0.001","13.706","0.0013","19.9135","0.0019","90","","91.341","0.004","90","","3285.1","0.5","100","","100","1","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C27 H39 Cl F3 N3 Si3 U -","- C27 H39 Cl F3 N3 Si3 U -","- C108 H156 Cl4 F12 N12 Si12 U4 -","4","1","","Yin, Haolin; Carroll, Patrick J.; Schelter, Eric J.","Cerium(III) and Uranium(IV) Complexes of the 2-Fluorophenyl Trimethylsilyl Amide Ligand: C-F →Ln/An Interactions that Modulate the Coordination Spheres of f-Block Elements.","Inorganic chemistry","2016","55","11","5684","5692","10.1021/acs.inorgchem.6b00785","","","0.71073","MoKα","","0.0211","0.0174","","","0.0371","0.0398","","","","","","1.232","","","","has coordinates","232587","2020-10-21","18:00:00",""
"4347919","12.1184","0.0004","12.703","0.0004","14.1095","0.0005","64.841","0.002","70.349","0.002","77.979","0.002","1846.02","0.11","100","","100","1","","","","","","","","6","P -1","-P 1","2","","","","- C35 H44 F3 N3 Si3 U -","- C35 H44 F3 N3 Si3 U -","- C70 H88 F6 N6 Si6 U2 -","2","1","","Yin, Haolin; Carroll, Patrick J.; Schelter, Eric J.","Cerium(III) and Uranium(IV) Complexes of the 2-Fluorophenyl Trimethylsilyl Amide Ligand: C-F →Ln/An Interactions that Modulate the Coordination Spheres of f-Block Elements.","Inorganic chemistry","2016","55","11","5684","5692","10.1021/acs.inorgchem.6b00785","","","0.71073","MoKα","","0.0248","0.0203","","","0.0468","0.0526","","","","","","1.099","","","","has coordinates","232587","2020-10-21","18:00:00",""
"4347920","11.9455","0.0005","12.1048","0.0005","15.7546","0.0007","88.896","0.002","68.341","0.002","62.841","0.002","1852.88","0.15","100","","100","1","","","","","","","","7","P -1","-P 1","2","","","","- C28 H42 F3 N3 O Si3 U -","- C28 H42 F3 N3 O Si3 U -","- C56 H84 F6 N6 O2 Si6 U2 -","2","1","","Yin, Haolin; Carroll, Patrick J.; Schelter, Eric J.","Cerium(III) and Uranium(IV) Complexes of the 2-Fluorophenyl Trimethylsilyl Amide Ligand: C-F →Ln/An Interactions that Modulate the Coordination Spheres of f-Block Elements.","Inorganic chemistry","2016","55","11","5684","5692","10.1021/acs.inorgchem.6b00785","","","0.71073","MoKα","","0.0333","0.0322","","","0.0841","0.0844","","","","","","1.232","","","","has coordinates","232587","2020-10-21","18:00:00",""
"4347921","10.4057","0.0009","11.0327","0.0008","16.1084","0.0013","85.395","0.003","79.603","0.003","68.152","0.002","1688.1","0.2","100","","100","1","","","","","","","","7","P -1","-P 1","2","","","","- C27 H39 F3 I N3 Si3 U -","- C27 H39 F3 I N3 Si3 U -","- C54 H78 F6 I2 N6 Si6 U2 -","2","1","","Yin, Haolin; Carroll, Patrick J.; Schelter, Eric J.","Cerium(III) and Uranium(IV) Complexes of the 2-Fluorophenyl Trimethylsilyl Amide Ligand: C-F →Ln/An Interactions that Modulate the Coordination Spheres of f-Block Elements.","Inorganic chemistry","2016","55","11","5684","5692","10.1021/acs.inorgchem.6b00785","","","0.71073","MoKα","","0.0157","0.0146","","","0.0354","0.0364","","","","","","1.067","","","","has coordinates","232587","2020-10-21","18:00:00",""
"4347922","11.1338","0.0004","20.1704","0.0006","18.7326","0.0006","90","","103.791","0.001","90","","4085.6","0.2","100","","100","1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C36 H52 F4 N4 Si4 U -","- C36 H52 F4 N4 Si4 U -","- C144 H208 F16 N16 Si16 U4 -","4","1","","Yin, Haolin; Carroll, Patrick J.; Schelter, Eric J.","Cerium(III) and Uranium(IV) Complexes of the 2-Fluorophenyl Trimethylsilyl Amide Ligand: C-F →Ln/An Interactions that Modulate the Coordination Spheres of f-Block Elements.","Inorganic chemistry","2016","55","11","5684","5692","10.1021/acs.inorgchem.6b00785","","","0.71073","MoKα","","0.0168","0.0152","","","0.0437","0.0508","","","","","","1.312","","","","has coordinates","232587","2020-10-21","18:00:00",""
"4347923","17.4935","0.0009","26.0116","0.0008","15.8081","0.0008","90","","114.995","0.006","90","","6519.5","0.6","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C24 H12 Cu N4 O10 U -","- C24 H12 Cu N4 O10 U -","- C192 H96 Cu8 N32 O80 U8 -","8","1","","Zhao, Ran; Mei, Lei; Wang, Lin; Chai, Zhi-Fang; Shi, Wei-Qun","Copper/Zinc-Directed Heterometallic Uranyl-Organic Polycatenating Frameworks: Synthesis, Characterization, and Anion-Dependent Structural Regulation.","Inorganic chemistry","2016","55","20","10125","10134","10.1021/acs.inorgchem.6b00786","","","0.71073","MoKα","","0.0639","0.0513","","","0.1708","0.1861","","","","","","1.095","","","","has coordinates","232588","2020-10-21","18:00:00",""
"4347924","17.4301","0.0003","26.27","0.0003","15.4596","0.0003","90","","113.498","0.003","90","","6491.8","0.2","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C24 H12 N4 O10 U Zn -","- C24 H12 N4 O10 U Zn -","- C192 H96 N32 O80 U8 Zn8 -","8","1","","Zhao, Ran; Mei, Lei; Wang, Lin; Chai, Zhi-Fang; Shi, Wei-Qun","Copper/Zinc-Directed Heterometallic Uranyl-Organic Polycatenating Frameworks: Synthesis, Characterization, and Anion-Dependent Structural Regulation.","Inorganic chemistry","2016","55","20","10125","10134","10.1021/acs.inorgchem.6b00786","","","0.71073","MoKα","","0.0353","0.0291","","","0.0761","0.0789","","","","","","1.059","","","","has coordinates","232588","2020-10-21","18:00:00",""
"4347925","10.701","0.005","7.686","0.003","30.469","0.013","90","","91.121","0.017","90","","2505.5","1.9","273","","273.15","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C24 H15 Cl Cu N4 O11 U -","- C24 H15 Cl Cu N4 O11 U -","- C96 H60 Cl4 Cu4 N16 O44 U4 -","4","1","","Zhao, Ran; Mei, Lei; Wang, Lin; Chai, Zhi-Fang; Shi, Wei-Qun","Copper/Zinc-Directed Heterometallic Uranyl-Organic Polycatenating Frameworks: Synthesis, Characterization, and Anion-Dependent Structural Regulation.","Inorganic chemistry","2016","55","20","10125","10134","10.1021/acs.inorgchem.6b00786","","","0.71073","MoKα","","0.043","0.0312","","","0.065","0.0687","","","","","","1.053","","","","has coordinates","232588","2020-10-21","18:00:00",""
"4347926","13.859","0.003","14.216","0.003","15.202","0.003","87.58","0.03","72.22","0.03","67.95","0.03","2634.5","1.2","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C48 H34 Cl2 Cu2 N8 O25 U2 -","- C48 H34 Cl2 Cu2 N8 O25 U2 -","- C96 H68 Cl4 Cu4 N16 O50 U4 -","2","1","","Zhao, Ran; Mei, Lei; Wang, Lin; Chai, Zhi-Fang; Shi, Wei-Qun","Copper/Zinc-Directed Heterometallic Uranyl-Organic Polycatenating Frameworks: Synthesis, Characterization, and Anion-Dependent Structural Regulation.","Inorganic chemistry","2016","55","20","10125","10134","10.1021/acs.inorgchem.6b00786","","","0.71073","MoKα","","0.0568","0.0502","","","0.1359","0.1388","","","","","","1.062","","","","has coordinates","232588","2020-10-21","18:00:00",""
"4347927","9.4771","0.0003","11.4559","0.0004","15.8438","0.0005","72.66","0.001","83.447","0.001","71.302","0.001","1554.98","0.09","150","2","150.01","","","","","","","","","7","P -1","-P 1","2","","","","- C24 H18 N4 O19 S U2 Zn -","- C24 H18 N4 O19 S U2 Zn -","- C48 H36 N8 O38 S2 U4 Zn2 -","2","1","","Zhao, Ran; Mei, Lei; Wang, Lin; Chai, Zhi-Fang; Shi, Wei-Qun","Copper/Zinc-Directed Heterometallic Uranyl-Organic Polycatenating Frameworks: Synthesis, Characterization, and Anion-Dependent Structural Regulation.","Inorganic chemistry","2016","55","20","10125","10134","10.1021/acs.inorgchem.6b00786","","","0.71073","MoKα","","0.0231","0.02","","","0.0435","0.0446","","","","","","1.058","","","","has coordinates","232588","2020-10-21","18:00:00",""
"4347928","13.788","0.003","20.988","0.005","13.611","0.003","90","","90","","90","","3938.8","1.5","100","2","100","2","","","","","","","","6","P n m a","-P 2ac 2n","62","MnN5C10-Mo(CN)7","","","- C27 H58 Mn2 Mo N17 O4 -","- C27 H58 Mn2 Mo N17 O4 -","- C108 H232 Mn8 Mo4 N68 O16 -","4","0.5","","Wei, Xiao-Qin; Qian, Kun; Wei, Hai-Yan; Wang, Xin-Yi","A One-Dimensional Magnet Based on [Mo(III)(CN)7](4.).","Inorganic chemistry","2016","55","11","5107","5109","10.1021/acs.inorgchem.6b00787","","","0.71073","MoKα","","0.0664","0.0562","","","0.164","0.1753","","","","","","1.066","","","","has coordinates","232589","2020-10-21","18:00:00",""
"4347929","26.329","0.002","28.882","0.003","19.942","0.002","90","","91.807","0.009","90","","15157","2","150","2","150","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C153 H60.5 B3 F60 Fe5 N24.5 O1.5 -","- C153 H60.5 B3 F60 Fe5 N24.5 O1.5 -","- C612 H242 B12 F240 Fe20 N98 O6 -","4","0.5","","Gouré, Eric; Gerey, Bertrand; Clémancey, Martin; Pécaut, Jacques; Molton, Florian; Latour, Jean-Marc; Blondin, Geneviève; Collomb, Marie-Noëlle","Intramolecular Electron Transfers Thwart Bistability in a Pentanuclear Iron Complex.","Inorganic chemistry","2016","55","18","9178","9186","10.1021/acs.inorgchem.6b00791","","","0.71073","MoKα","","0.2107","0.1115","","","0.2527","0.3092","","","","","","1.075","","","","has coordinates,has disorder","232590","2020-10-21","18:00:00",""
"4347930","4.42006","0.00015","9.9972","0.0003","11.37","0.0004","87.979","0.003","81.364","0.003","80.105","0.003","489.31","0.03","298","1","298","1","","","","","","","","5","P -1","-P 1","2","","","","- C10 H9 Cu I N -","- C10 H9 Cu I N -","- C20 H18 Cu2 I2 N2 -","2","1","","Aguirrechu-Comerón, Amagoia; Hernández-Molina, Rita; Rodríguez-Hernández, Plácida; Muñoz, Alfonso; Rodríguez-Mendoza, Ulises R; Lavín, V\?íctor; Angel, Ross J.; Gonzalez-Platas, Javier","Experimental and ab Initio Study of Catena(bis(μ2-iodo)-6-methylquinoline-copper(I)) under Pressure: Synthesis, Crystal Structure, Electronic, and Luminescence Properties.","Inorganic chemistry","2016","55","15","7476","7484","10.1021/acs.inorgchem.6b00796","","x-ray","0.71073","MoKα","","0.0311","0.0285","","","0.0624","0.0636","","","","","","1.07","","","","has coordinates","232591","2020-10-21","18:00:00",""
"4347931","4.4163","0.0008","9.983","0.004","11.376","0.003","87.95","0.03","81.4","0.02","80.17","0.03","488.6","0.3","298","1","298","1","","","100","1","","","","5","P -1","-P 1","2","","","","- C10 H9 Cu I N -","- C10 H9 Cu I N -","- C20 H18 Cu2 I2 N2 -","2","1","","Aguirrechu-Comerón, Amagoia; Hernández-Molina, Rita; Rodríguez-Hernández, Plácida; Muñoz, Alfonso; Rodríguez-Mendoza, Ulises R; Lavín, V\?íctor; Angel, Ross J.; Gonzalez-Platas, Javier","Experimental and ab Initio Study of Catena(bis(μ2-iodo)-6-methylquinoline-copper(I)) under Pressure: Synthesis, Crystal Structure, Electronic, and Luminescence Properties.","Inorganic chemistry","2016","55","15","7476","7484","10.1021/acs.inorgchem.6b00796","","x-ray","0.71073","MoKα","","0.0584","0.0443","","","0.1007","0.1085","","","","","","1.08","","","","has coordinates","232591","2020-10-21","18:00:00",""
"4347932","4.4014","0.0007","9.918","0.003","11.177","0.003","88.16","0.02","82.21","0.02","80.18","0.02","476.3","0.2","298","1","298","1","","","280000","40000","","","","5","P -1","-P 1","2","","","","- C10 H9 Cu I N -","- C10 H9 Cu I N -","- C20 H18 Cu2 I2 N2 -","2","1","","Aguirrechu-Comerón, Amagoia; Hernández-Molina, Rita; Rodríguez-Hernández, Plácida; Muñoz, Alfonso; Rodríguez-Mendoza, Ulises R; Lavín, V\?íctor; Angel, Ross J.; Gonzalez-Platas, Javier","Experimental and ab Initio Study of Catena(bis(μ2-iodo)-6-methylquinoline-copper(I)) under Pressure: Synthesis, Crystal Structure, Electronic, and Luminescence Properties.","Inorganic chemistry","2016","55","15","7476","7484","10.1021/acs.inorgchem.6b00796","","x-ray","0.71073","MoKα","","0.0894","0.0657","","","0.1478","0.1726","","","","","","1.1","","","","has coordinates","232591","2020-10-21","18:00:00",""
"4347933","4.3745","0.0007","9.863","0.002","10.963","0.002","88.206","0.017","83.14","0.02","80.11","0.02","462.61","0.15","298","1","298","1","","","710000","40000","","","","5","P -1","-P 1","2","","","","- C10 H9 Cu I N -","- C10 H9 Cu I N -","- C20 H18 Cu2 I2 N2 -","2","1","","Aguirrechu-Comerón, Amagoia; Hernández-Molina, Rita; Rodríguez-Hernández, Plácida; Muñoz, Alfonso; Rodríguez-Mendoza, Ulises R; Lavín, V\?íctor; Angel, Ross J.; Gonzalez-Platas, Javier","Experimental and ab Initio Study of Catena(bis(μ2-iodo)-6-methylquinoline-copper(I)) under Pressure: Synthesis, Crystal Structure, Electronic, and Luminescence Properties.","Inorganic chemistry","2016","55","15","7476","7484","10.1021/acs.inorgchem.6b00796","","x-ray","0.71073","MoKα","","0.0427","0.0325","","","0.0729","0.0776","","","","","","1.059","","","","has coordinates","232591","2020-10-21","18:00:00",""
"4347934","4.3661","0.0006","9.84","0.002","10.923","0.002","88.206","0.017","83.346","0.017","80.104","0.017","459.15","0.14","298","1","298","1","","","840000","40000","","","","5","P -1","-P 1","2","","","","- C10 H9 Cu I N -","- C10 H9 Cu I N -","- C20 H18 Cu2 I2 N2 -","2","1","","Aguirrechu-Comerón, Amagoia; Hernández-Molina, Rita; Rodríguez-Hernández, Plácida; Muñoz, Alfonso; Rodríguez-Mendoza, Ulises R; Lavín, V\?íctor; Angel, Ross J.; Gonzalez-Platas, Javier","Experimental and ab Initio Study of Catena(bis(μ2-iodo)-6-methylquinoline-copper(I)) under Pressure: Synthesis, Crystal Structure, Electronic, and Luminescence Properties.","Inorganic chemistry","2016","55","15","7476","7484","10.1021/acs.inorgchem.6b00796","","x-ray","0.71073","MoKα","","0.0693","0.0593","","","0.1484","0.1639","","","","","","1.095","","","","has coordinates","232591","2020-10-21","18:00:00",""
"4347935","4.3399","0.0005","9.782","0.002","10.7842","0.0019","88.265","0.016","84.017","0.014","80.082","0.016","448.49","0.13","298","1","298","1","","","1250000","40000","","","","5","P -1","-P 1","2","","","","- C10 H9 Cu I N -","- C10 H9 Cu I N -","- C20 H18 Cu2 I2 N2 -","2","1","","Aguirrechu-Comerón, Amagoia; Hernández-Molina, Rita; Rodríguez-Hernández, Plácida; Muñoz, Alfonso; Rodríguez-Mendoza, Ulises R; Lavín, V\?íctor; Angel, Ross J.; Gonzalez-Platas, Javier","Experimental and ab Initio Study of Catena(bis(μ2-iodo)-6-methylquinoline-copper(I)) under Pressure: Synthesis, Crystal Structure, Electronic, and Luminescence Properties.","Inorganic chemistry","2016","55","15","7476","7484","10.1021/acs.inorgchem.6b00796","","x-ray","0.71073","MoKα","","0.0369","0.0311","","","0.0688","0.0713","","","","","","1.06","","","","has coordinates","232591","2020-10-21","18:00:00",""
"4347936","4.3221","0.0005","9.7472","0.0019","10.683","0.002","88.353","0.016","84.421","0.016","80.102","0.016","441.23","0.13","298","1","298","1","","","1580000","40000","","","","5","P -1","-P 1","2","","","","- C10 H9 Cu I N -","- C10 H9 Cu I N -","- C20 H18 Cu2 I2 N2 -","2","1","","Aguirrechu-Comerón, Amagoia; Hernández-Molina, Rita; Rodríguez-Hernández, Plácida; Muñoz, Alfonso; Rodríguez-Mendoza, Ulises R; Lavín, V\?íctor; Angel, Ross J.; Gonzalez-Platas, Javier","Experimental and ab Initio Study of Catena(bis(μ2-iodo)-6-methylquinoline-copper(I)) under Pressure: Synthesis, Crystal Structure, Electronic, and Luminescence Properties.","Inorganic chemistry","2016","55","15","7476","7484","10.1021/acs.inorgchem.6b00796","","x-ray","0.71073","MoKα","","0.0603","0.051","","","0.1248","0.1294","","","","","","1.079","","","","has coordinates","232591","2020-10-21","18:00:00",""
"4347937","4.3086","0.0004","9.7205","0.0015","10.6226","0.0018","88.411","0.013","84.745","0.013","80.039","0.013","436.31","0.11","298","1","298","1","","","1780000","40000","","","","5","P -1","-P 1","2","","","","- C10 H9 Cu I N -","- C10 H9 Cu I N -","- C20 H18 Cu2 I2 N2 -","2","1","","Aguirrechu-Comerón, Amagoia; Hernández-Molina, Rita; Rodríguez-Hernández, Plácida; Muñoz, Alfonso; Rodríguez-Mendoza, Ulises R; Lavín, V\?íctor; Angel, Ross J.; Gonzalez-Platas, Javier","Experimental and ab Initio Study of Catena(bis(μ2-iodo)-6-methylquinoline-copper(I)) under Pressure: Synthesis, Crystal Structure, Electronic, and Luminescence Properties.","Inorganic chemistry","2016","55","15","7476","7484","10.1021/acs.inorgchem.6b00796","","x-ray","0.71073","MoKα","","0.0419","0.038","","","0.0874","0.0901","","","","","","1.131","","","","has coordinates","232591","2020-10-21","18:00:00",""
"4347938","4.3025","0.0005","9.705","0.002","10.594","0.002","88.464","0.018","84.857","0.017","80.103","0.018","433.99","0.13","298","1","298","1","","","1920000","40000","","","","5","P -1","-P 1","2","","","","- C10 H9 Cu I N -","- C10 H9 Cu I N -","- C20 H18 Cu2 I2 N2 -","2","1","","Aguirrechu-Comerón, Amagoia; Hernández-Molina, Rita; Rodríguez-Hernández, Plácida; Muñoz, Alfonso; Rodríguez-Mendoza, Ulises R; Lavín, V\?íctor; Angel, Ross J.; Gonzalez-Platas, Javier","Experimental and ab Initio Study of Catena(bis(μ2-iodo)-6-methylquinoline-copper(I)) under Pressure: Synthesis, Crystal Structure, Electronic, and Luminescence Properties.","Inorganic chemistry","2016","55","15","7476","7484","10.1021/acs.inorgchem.6b00796","","x-ray","0.71073","MoKα","","0.0586","0.0529","","","0.1293","0.135","","","","","","1.105","","","","has coordinates","232591","2020-10-21","18:00:00",""
"4347939","4.2816","0.0005","9.6687","0.0016","10.5131","0.0018","88.493","0.014","85.206","0.014","80.047","0.014","427.14","0.12","298","1","298","1","","","2320000","40000","","","","5","P -1","-P 1","2","","","","- C10 H9 Cu I N -","- C10 H9 Cu I N -","- C20 H18 Cu2 I2 N2 -","2","1","","Aguirrechu-Comerón, Amagoia; Hernández-Molina, Rita; Rodríguez-Hernández, Plácida; Muñoz, Alfonso; Rodríguez-Mendoza, Ulises R; Lavín, V\?íctor; Angel, Ross J.; Gonzalez-Platas, Javier","Experimental and ab Initio Study of Catena(bis(μ2-iodo)-6-methylquinoline-copper(I)) under Pressure: Synthesis, Crystal Structure, Electronic, and Luminescence Properties.","Inorganic chemistry","2016","55","15","7476","7484","10.1021/acs.inorgchem.6b00796","","x-ray","0.71073","MoKα","","0.0348","0.0285","","","0.0656","0.0684","","","","","","1.07","","","","has coordinates","232591","2020-10-21","18:00:00",""
"4347940","4.2509","0.0005","9.6194","0.0016","10.3932","0.0018","88.661","0.014","85.739","0.014","80.044","0.014","417.41","0.11","298","1","298","1","","","2920000","40000","","","","5","P -1","-P 1","2","","","","- C10 H9 Cu I N -","- C10 H9 Cu I N -","- C20 H18 Cu2 I2 N2 -","2","1","","Aguirrechu-Comerón, Amagoia; Hernández-Molina, Rita; Rodríguez-Hernández, Plácida; Muñoz, Alfonso; Rodríguez-Mendoza, Ulises R; Lavín, V\?íctor; Angel, Ross J.; Gonzalez-Platas, Javier","Experimental and ab Initio Study of Catena(bis(μ2-iodo)-6-methylquinoline-copper(I)) under Pressure: Synthesis, Crystal Structure, Electronic, and Luminescence Properties.","Inorganic chemistry","2016","55","15","7476","7484","10.1021/acs.inorgchem.6b00796","","x-ray","0.71073","MoKα","","0.0404","0.0353","","","0.0834","0.086","","","","","","1.087","","","","has coordinates","232591","2020-10-21","18:00:00",""
"4347941","4.237","0.0006","9.592","0.002","10.329","0.002","88.78","0.017","86.13","0.019","80.001","0.019","412.45","0.13","298","1","298","1","","","3330000","40000","","","","5","P -1","-P 1","2","","","","- C10 H9 Cu I N -","- C10 H9 Cu I N -","- C20 H18 Cu2 I2 N2 -","2","1","","Aguirrechu-Comerón, Amagoia; Hernández-Molina, Rita; Rodríguez-Hernández, Plácida; Muñoz, Alfonso; Rodríguez-Mendoza, Ulises R; Lavín, V\?íctor; Angel, Ross J.; Gonzalez-Platas, Javier","Experimental and ab Initio Study of Catena(bis(μ2-iodo)-6-methylquinoline-copper(I)) under Pressure: Synthesis, Crystal Structure, Electronic, and Luminescence Properties.","Inorganic chemistry","2016","55","15","7476","7484","10.1021/acs.inorgchem.6b00796","","x-ray","0.71073","MoKα","","0.0595","0.0483","","","0.1238","0.1741","","","","","","1.227","","","","has coordinates","232591","2020-10-21","18:00:00",""
"4347942","4.2218","0.0005","9.5636","0.0018","10.291","0.002","88.815","0.015","86.218","0.015","80.014","0.015","408.3","0.12","298","1","298","1","","","3660000","50000","","","","5","P -1","-P 1","2","","","","- C10 H9 Cu I N -","- C10 H9 Cu I N -","- C20 H18 Cu2 I2 N2 -","2","1","","Aguirrechu-Comerón, Amagoia; Hernández-Molina, Rita; Rodríguez-Hernández, Plácida; Muñoz, Alfonso; Rodríguez-Mendoza, Ulises R; Lavín, V\?íctor; Angel, Ross J.; Gonzalez-Platas, Javier","Experimental and ab Initio Study of Catena(bis(μ2-iodo)-6-methylquinoline-copper(I)) under Pressure: Synthesis, Crystal Structure, Electronic, and Luminescence Properties.","Inorganic chemistry","2016","55","15","7476","7484","10.1021/acs.inorgchem.6b00796","","x-ray","0.71073","MoKα","","0.0486","0.0397","","","0.0978","0.1253","","","","","","1.155","","","","has coordinates","232591","2020-10-21","18:00:00",""
"4347943","4.2128","0.0005","9.5476","0.0018","10.2634","0.0019","88.839","0.015","86.36","0.015","80.045","0.015","405.76","0.12","298","1","298","1","","","3880000","50000","","","","5","P -1","-P 1","2","","","","- C10 H9 Cu I N -","- C10 H9 Cu I N -","- C20 H18 Cu2 I2 N2 -","2","1","","Aguirrechu-Comerón, Amagoia; Hernández-Molina, Rita; Rodríguez-Hernández, Plácida; Muñoz, Alfonso; Rodríguez-Mendoza, Ulises R; Lavín, V\?íctor; Angel, Ross J.; Gonzalez-Platas, Javier","Experimental and ab Initio Study of Catena(bis(μ2-iodo)-6-methylquinoline-copper(I)) under Pressure: Synthesis, Crystal Structure, Electronic, and Luminescence Properties.","Inorganic chemistry","2016","55","15","7476","7484","10.1021/acs.inorgchem.6b00796","","x-ray","0.71073","MoKα","","0.0538","0.0453","","","0.1069","0.1288","","","","","","1.159","","","","has coordinates","232591","2020-10-21","18:00:00",""
"4347944","4.2027","0.0005","9.5344","0.0017","10.2292","0.0019","88.945","0.015","86.478","0.014","80.055","0.014","402.95","0.12","298","1","298","1","","","4110000","50000","","","","5","P -1","-P 1","2","","","","- C10 H9 Cu I N -","- C10 H9 Cu I N -","- C20 H18 Cu2 I2 N2 -","2","1","","Aguirrechu-Comerón, Amagoia; Hernández-Molina, Rita; Rodríguez-Hernández, Plácida; Muñoz, Alfonso; Rodríguez-Mendoza, Ulises R; Lavín, V\?íctor; Angel, Ross J.; Gonzalez-Platas, Javier","Experimental and ab Initio Study of Catena(bis(μ2-iodo)-6-methylquinoline-copper(I)) under Pressure: Synthesis, Crystal Structure, Electronic, and Luminescence Properties.","Inorganic chemistry","2016","55","15","7476","7484","10.1021/acs.inorgchem.6b00796","","x-ray","0.71073","MoKα","","0.0536","0.0452","","","0.1178","0.1537","","","","","","1.174","","","","has coordinates","232591","2020-10-21","18:00:00",""
"4347945","4.1925","0.0005","9.515","0.002","10.199","0.002","89.023","0.018","86.675","0.016","80.109","0.018","400.12","0.13","298","1","298","1","","","4380000","50000","","","","5","P -1","-P 1","2","","","","- C10 H9 Cu I N -","- C10 H9 Cu I N -","- C20 H18 Cu2 I2 N2 -","2","1","","Aguirrechu-Comerón, Amagoia; Hernández-Molina, Rita; Rodríguez-Hernández, Plácida; Muñoz, Alfonso; Rodríguez-Mendoza, Ulises R; Lavín, V\?íctor; Angel, Ross J.; Gonzalez-Platas, Javier","Experimental and ab Initio Study of Catena(bis(μ2-iodo)-6-methylquinoline-copper(I)) under Pressure: Synthesis, Crystal Structure, Electronic, and Luminescence Properties.","Inorganic chemistry","2016","55","15","7476","7484","10.1021/acs.inorgchem.6b00796","","x-ray","0.71073","MoKα","","0.0571","0.0502","","","0.1228","0.1301","","","","","","1.061","","","","has coordinates","232591","2020-10-21","18:00:00",""
"4347946","4.1769","0.0004","9.4845","0.0015","10.1521","0.0017","89.116","0.013","86.774","0.013","80.153","0.013","395.62","0.1","298","1","298","1","","","4780000","50000","","","","5","P -1","-P 1","2","","","","- C10 H9 Cu I N -","- C10 H9 Cu I N -","- C20 H18 Cu2 I2 N2 -","2","1","","Aguirrechu-Comerón, Amagoia; Hernández-Molina, Rita; Rodríguez-Hernández, Plácida; Muñoz, Alfonso; Rodríguez-Mendoza, Ulises R; Lavín, V\?íctor; Angel, Ross J.; Gonzalez-Platas, Javier","Experimental and ab Initio Study of Catena(bis(μ2-iodo)-6-methylquinoline-copper(I)) under Pressure: Synthesis, Crystal Structure, Electronic, and Luminescence Properties.","Inorganic chemistry","2016","55","15","7476","7484","10.1021/acs.inorgchem.6b00796","","x-ray","0.71073","MoKα","","0.0478","0.0406","","","0.1042","0.11","","","","","","1.038","","","","has coordinates","232591","2020-10-21","18:00:00",""
"4347947","4.1662","0.0004","9.4691","0.0015","10.1154","0.0017","89.167","0.013","87.104","0.013","79.977","0.013","392.46","0.1","298","1","298","1","","","5150000","60000","","","","5","P -1","-P 1","2","","","","- C10 H9 Cu I N -","- C10 H9 Cu I N -","- C20 H18 Cu2 I2 N2 -","2","1","","Aguirrechu-Comerón, Amagoia; Hernández-Molina, Rita; Rodríguez-Hernández, Plácida; Muñoz, Alfonso; Rodríguez-Mendoza, Ulises R; Lavín, V\?íctor; Angel, Ross J.; Gonzalez-Platas, Javier","Experimental and ab Initio Study of Catena(bis(μ2-iodo)-6-methylquinoline-copper(I)) under Pressure: Synthesis, Crystal Structure, Electronic, and Luminescence Properties.","Inorganic chemistry","2016","55","15","7476","7484","10.1021/acs.inorgchem.6b00796","","x-ray","0.71073","MoKα","","0.0524","0.0435","","","0.1133","0.1504","","","","","","1.214","","","","has coordinates","232591","2020-10-21","18:00:00",""
"4347948","4.1523","0.0004","9.453","0.002","10.086","0.002","89.285","0.017","87.14","0.014","80.077","0.016","389.48","0.12","298","1","298","1","","","5460000","60000","","","","5","P -1","-P 1","2","","","","- C10 H9 Cu I N -","- C10 H9 Cu I N -","- C20 H18 Cu2 I2 N2 -","2","1","","Aguirrechu-Comerón, Amagoia; Hernández-Molina, Rita; Rodríguez-Hernández, Plácida; Muñoz, Alfonso; Rodríguez-Mendoza, Ulises R; Lavín, V\?íctor; Angel, Ross J.; Gonzalez-Platas, Javier","Experimental and ab Initio Study of Catena(bis(μ2-iodo)-6-methylquinoline-copper(I)) under Pressure: Synthesis, Crystal Structure, Electronic, and Luminescence Properties.","Inorganic chemistry","2016","55","15","7476","7484","10.1021/acs.inorgchem.6b00796","","x-ray","0.71073","MoKα","","0.0469","0.0405","","","0.0979","0.1014","","","","","","1.088","","","","has coordinates","232591","2020-10-21","18:00:00",""
"4347949","4.1436","0.0004","9.432","0.002","10.0405","0.0019","89.342","0.017","87.41","0.014","80.047","0.016","386.1","0.12","298","1","298","1","","","5910000","60000","","","","5","P -1","-P 1","2","","","","- C10 H9 Cu I N -","- C10 H9 Cu I N -","- C20 H18 Cu2 I2 N2 -","2","1","","Aguirrechu-Comerón, Amagoia; Hernández-Molina, Rita; Rodríguez-Hernández, Plácida; Muñoz, Alfonso; Rodríguez-Mendoza, Ulises R; Lavín, V\?íctor; Angel, Ross J.; Gonzalez-Platas, Javier","Experimental and ab Initio Study of Catena(bis(μ2-iodo)-6-methylquinoline-copper(I)) under Pressure: Synthesis, Crystal Structure, Electronic, and Luminescence Properties.","Inorganic chemistry","2016","55","15","7476","7484","10.1021/acs.inorgchem.6b00796","","x-ray","0.71073","MoKα","","0.0493","0.043","","","0.1091","0.1139","","","","","","1.068","","","","has coordinates","232591","2020-10-21","18:00:00",""
"4347950","4.1322","0.0004","9.4165","0.0016","10.0257","0.0018","89.417","0.014","87.462","0.013","80.013","0.013","383.82","0.1","298","1","298","1","","","6150000","60000","","","","5","P -1","-P 1","2","","","","- C10 H9 Cu I N -","- C10 H9 Cu I N -","- C20 H18 Cu2 I2 N2 -","2","1","","Aguirrechu-Comerón, Amagoia; Hernández-Molina, Rita; Rodríguez-Hernández, Plácida; Muñoz, Alfonso; Rodríguez-Mendoza, Ulises R; Lavín, V\?íctor; Angel, Ross J.; Gonzalez-Platas, Javier","Experimental and ab Initio Study of Catena(bis(μ2-iodo)-6-methylquinoline-copper(I)) under Pressure: Synthesis, Crystal Structure, Electronic, and Luminescence Properties.","Inorganic chemistry","2016","55","15","7476","7484","10.1021/acs.inorgchem.6b00796","","x-ray","0.71073","MoKα","","0.0437","0.0361","","","0.0898","0.0932","","","","","","1.056","","","","has coordinates","232591","2020-10-21","18:00:00",""
"4347951","4.1218","0.0004","9.405","0.002","10.003","0.002","89.531","0.018","87.567","0.013","80.085","0.015","381.64","0.12","298","1","298","1","","","6450000","60000","","","","5","P -1","-P 1","2","","","","- C10 H9 Cu I N -","- C10 H9 Cu I N -","- C20 H18 Cu2 I2 N2 -","2","1","","Aguirrechu-Comerón, Amagoia; Hernández-Molina, Rita; Rodríguez-Hernández, Plácida; Muñoz, Alfonso; Rodríguez-Mendoza, Ulises R; Lavín, V\?íctor; Angel, Ross J.; Gonzalez-Platas, Javier","Experimental and ab Initio Study of Catena(bis(μ2-iodo)-6-methylquinoline-copper(I)) under Pressure: Synthesis, Crystal Structure, Electronic, and Luminescence Properties.","Inorganic chemistry","2016","55","15","7476","7484","10.1021/acs.inorgchem.6b00796","","x-ray","0.71073","MoKα","","0.0623","0.0536","","","0.1343","0.1417","","","","","","1.076","","","","has coordinates","232591","2020-10-21","18:00:00",""
"4347952","8.3513","0.0005","15.0623","0.0009","9.9039","0.0006","90","","112.981","0.003","90","","1146.94","0.12","100","2","100","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C18 H19 Cl2 N6 O2 U -","- C18 H16 Cl2 N6 O2 U -","- C36 H32 Cl4 N12 O4 U2 -","2","0.5","","Pedrick, Elizabeth A.; Schultz, Jason W.; Wu, Guang; Mirica, Liviu M.; Hayton, Trevor W.","Perturbation of the O-U-O Angle in Uranyl by Coordination to a 12-Membered Macrocycle.","Inorganic chemistry","2016","55","11","5693","5701","10.1021/acs.inorgchem.6b00799","","","0.71073","MoKα","","0.0314","0.0286","","","0.0764","0.0774","","","","","","1.107","","","","has coordinates","232592","2020-10-21","18:00:00",""
"4347953","16.085","0.007","10.152","0.004","14.291","0.006","90","","90","","90","","2333.6","1.7","100","2","100","2","","","","","","","","6","C m c m","-C 2c 2","63","","","","- C20 H26 Cl2 N6 O2 U -","- C20 H20 Cl2 N6 O2 U -","- C80 H80 Cl8 N24 O8 U4 -","4","0.25","","Pedrick, Elizabeth A.; Schultz, Jason W.; Wu, Guang; Mirica, Liviu M.; Hayton, Trevor W.","Perturbation of the O-U-O Angle in Uranyl by Coordination to a 12-Membered Macrocycle.","Inorganic chemistry","2016","55","11","5693","5701","10.1021/acs.inorgchem.6b00799","","","0.71073","MoKα","","0.036","0.0287","","","0.0609","0.0633","","","","","","1.052","","","","has coordinates","232592","2020-10-21","18:00:00",""
"4347954","9.434","0.002","14.676","0.003","13.464","0.004","90","","90","","90","","1864.1","0.8","100","2","100","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C16 H20 Cl2 N4 O2 U -","- C16 H20 Cl2 N4 O2 U -","- C64 H80 Cl8 N16 O8 U4 -","4","0.5","","Pedrick, Elizabeth A.; Schultz, Jason W.; Wu, Guang; Mirica, Liviu M.; Hayton, Trevor W.","Perturbation of the O-U-O Angle in Uranyl by Coordination to a 12-Membered Macrocycle.","Inorganic chemistry","2016","55","11","5693","5701","10.1021/acs.inorgchem.6b00799","","","0.71073","MoKα","","0.0719","0.0304","","","0.051","0.0612","","","","","","0.949","","","","has coordinates","232592","2020-10-21","18:00:00",""
"4347955","11.7508","0.0005","18.8073","0.001","10.7623","0.0004","90","","90","","90","","2378.48","0.18","100","2","100","2","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C16 H16 F6 N4 O8 S2 U -","- C16 H16 F6 N4 O8 S2 U -","- C64 H64 F24 N16 O32 S8 U4 -","4","1","","Pedrick, Elizabeth A.; Schultz, Jason W.; Wu, Guang; Mirica, Liviu M.; Hayton, Trevor W.","Perturbation of the O-U-O Angle in Uranyl by Coordination to a 12-Membered Macrocycle.","Inorganic chemistry","2016","55","11","5693","5701","10.1021/acs.inorgchem.6b00799","","","0.71073","MoKα","","0.0452","0.0341","","","0.0759","0.0786","","","","","","0.93","","","","has coordinates","232592","2020-10-21","18:00:00",""
"4347956","12.329","0.012","16.376","0.016","16.606","0.015","90.59","0.02","100.232","0.019","106.377","0.019","3159","5","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C24 H32 F6 N4 O9.5 S2 U -","- C24 H28.25 F6 N4 O9.5 S2 U -","- C96 H113 F24 N16 O38 S8 U4 -","4","2","","Pedrick, Elizabeth A.; Schultz, Jason W.; Wu, Guang; Mirica, Liviu M.; Hayton, Trevor W.","Perturbation of the O-U-O Angle in Uranyl by Coordination to a 12-Membered Macrocycle.","Inorganic chemistry","2016","55","11","5693","5701","10.1021/acs.inorgchem.6b00799","","","0.71073","MoKα","","0.2134","0.0612","","","0.0812","0.103","","","","","","0.823","","","","has coordinates","232592","2020-10-21","18:00:00",""
"4347957","10.3798","0.0016","10.4741","0.0018","13.053","0.002","84.364","0.008","68.693","0.006","76.419","0.008","1285","0.4","93","","93","","","","","","","","","4","P -1","-P 1","2","","","","- C56 H84 N4 O4 -","- C56 H84 N4 O4 -","- C56 H84 N4 O4 -","1","0.5","","Nakai, Hidetaka; Seo, Juncheol; Kitagawa, Kazuhiro; Goto, Takahiro; Nonaka, Kyoshiro; Matsumoto, Takahiro; Ogo, Seiji","Control of Lanthanide Coordination Environment: Synthesis, Structure, and Oxygen-Sensitive Luminescence Properties of an Eight-Coordinate Tb(III) Complex.","Inorganic chemistry","2016","55","13","6609","6615","10.1021/acs.inorgchem.6b00800","","","0.71075","MoKα","","0.0535","0.0432","","","0.1154","0.1233","","","","","","1.082","","","","has coordinates","232593","2020-10-21","18:00:00",""
"4347958","18.4142","0.0012","18.4142","0.0012","10.3199","0.0009","90","","90","","90","","3499.3","0.4","108","","108","","","","","","","","","5","I 4","I 4","79","","","","- C66 H90 N6 O4 Tb -","- C66 H90 N6 O4 Tb -","- C132 H180 N12 O8 Tb2 -","2","0.25","","Nakai, Hidetaka; Seo, Juncheol; Kitagawa, Kazuhiro; Goto, Takahiro; Nonaka, Kyoshiro; Matsumoto, Takahiro; Ogo, Seiji","Control of Lanthanide Coordination Environment: Synthesis, Structure, and Oxygen-Sensitive Luminescence Properties of an Eight-Coordinate Tb(III) Complex.","Inorganic chemistry","2016","55","13","6609","6615","10.1021/acs.inorgchem.6b00800","","","0.71075","MoKα","","0.0364","0.0353","","","0.0918","0.0922","","","","","","1.092","","","","has coordinates","232593","2020-10-21","18:00:00",""
"4347959","20.5188","0.0007","16.0971","0.001","26.4535","0.001","90","","90","","90","","8737.4","0.7","150.01","0.11","150.01","0.11","","","","","","","","5","P b c a","-P 2ac 2ab","61","","bis(bis(triisopropylamido)europium(II)","","- C36 H84 Eu N2 Si4 -","- C36 H84 Eu N2 Si4 -","- C288 H672 Eu8 N16 Si32 -","8","1","","Goodwin, Conrad A. P.; Chilton, Nicholas F.; Vettese, Gianni F.; Moreno Pineda, Eufemio; Crowe, Iain F.; Ziller, Joseph W.; Winpenny, Richard E. P.; Evans, William J.; Mills, David P.","Physicochemical Properties of Near-Linear Lanthanide(II) Bis(silylamide) Complexes (Ln = Sm, Eu, Tm, Yb).","Inorganic chemistry","2016","55","20","10057","10067","10.1021/acs.inorgchem.6b00808","","","0.71073","MoKα","","0.07","0.0487","","","0.1135","0.1264","","","","","","1.039","","","","has coordinates,has disorder","232594","2020-10-21","18:00:00",""
"4347960","20.4847","0.0005","16.0637","0.0007","26.4034","0.001","90","","90","","90","","8688.3","0.5","100.03","0.1","100.03","0.1","","","","","","","","5","P b c a","-P 2ac 2ab","61","","bis(bis(triisopropylsilyl)amido)europium(II)","","- C36 H84 Eu N2 Si4 -","- C36 H84 Eu N2 Si4 -","- C288 H672 Eu8 N16 Si32 -","8","1","","Goodwin, Conrad A. P.; Chilton, Nicholas F.; Vettese, Gianni F.; Moreno Pineda, Eufemio; Crowe, Iain F.; Ziller, Joseph W.; Winpenny, Richard E. P.; Evans, William J.; Mills, David P.","Physicochemical Properties of Near-Linear Lanthanide(II) Bis(silylamide) Complexes (Ln = Sm, Eu, Tm, Yb).","Inorganic chemistry","2016","55","20","10057","10067","10.1021/acs.inorgchem.6b00808","","x-ray","0.71073","MoKα","","0.0552","0.0382","","","0.0726","0.0789","","","","","","1.039","","","","has coordinates,has disorder","232594","2020-10-21","18:00:00",""
"4347961","10.4742","0.0007","11.9298","0.0008","19.5509","0.0014","101.437","0.0009","91.4522","0.0009","114.955","0.0008","2154.5","0.3","133","2","133","2","","","","","","","","5","P -1","-P 1","2","","","","- C36 H84 N2 Si4 Tm -","- C36 H84 N2 Si4 Tm -","- C72 H168 N4 Si8 Tm2 -","2","1","","Goodwin, Conrad A. P.; Chilton, Nicholas F.; Vettese, Gianni F.; Moreno Pineda, Eufemio; Crowe, Iain F.; Ziller, Joseph W.; Winpenny, Richard E. P.; Evans, William J.; Mills, David P.","Physicochemical Properties of Near-Linear Lanthanide(II) Bis(silylamide) Complexes (Ln = Sm, Eu, Tm, Yb).","Inorganic chemistry","2016","55","20","10057","10067","10.1021/acs.inorgchem.6b00808","","","0.71073","MoKα","","0.0314","0.0253","","","0.0566","0.059","","","","","","1.041","","","","has coordinates,has disorder","232594","2020-10-21","18:00:00",""
"4347962","20.4979","0.0007","16.1891","0.0006","26.1295","0.0008","90","","90","","90","","8670.9","0.5","150.02","0.1","150.02","0.1","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C36 H84 N2 Si4 Yb -","- C36 H84 N2 Si4 Yb -","- C288 H672 N16 Si32 Yb8 -","8","1","","Goodwin, Conrad A. P.; Chilton, Nicholas F.; Vettese, Gianni F.; Moreno Pineda, Eufemio; Crowe, Iain F.; Ziller, Joseph W.; Winpenny, Richard E. P.; Evans, William J.; Mills, David P.","Physicochemical Properties of Near-Linear Lanthanide(II) Bis(silylamide) Complexes (Ln = Sm, Eu, Tm, Yb).","Inorganic chemistry","2016","55","20","10057","10067","10.1021/acs.inorgchem.6b00808","","","0.71073","MoKα","","0.0649","0.0403","","","0.07","0.0826","","","","","","1.055","","","","has coordinates,has disorder","232594","2020-10-21","18:00:00",""
"4347963","19.5621","0.0006","19.8625","0.0005","41.3879","0.0014","90","","99.319","0.003","90","","15869.1","0.8","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C45 H102 N3 O Si4 Sm -","- C45 H102 N3 O Si4 Sm -","- C540 H1224 N36 O12 Si48 Sm12 -","12","1.5","","Goodwin, Conrad A. P.; Chilton, Nicholas F.; Vettese, Gianni F.; Moreno Pineda, Eufemio; Crowe, Iain F.; Ziller, Joseph W.; Winpenny, Richard E. P.; Evans, William J.; Mills, David P.","Physicochemical Properties of Near-Linear Lanthanide(II) Bis(silylamide) Complexes (Ln = Sm, Eu, Tm, Yb).","Inorganic chemistry","2016","55","20","10057","10067","10.1021/acs.inorgchem.6b00808","","x-ray","0.71073","MoKα","","0.0648","0.0417","","","0.0674","0.074","","","","","","1.028","","","","has coordinates,has disorder","232594","2020-10-21","18:00:00",""
"4347964","13.9505","0.0005","19.0546","0.0006","21.3221","0.0007","90","","106.927","0.003","90","","5422.3","0.3","150.01","0.1","150.01","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C48 H94 N4 Si4 Sm -","- C48 H94 N4 Si4 Sm -","- C192 H376 N16 Si16 Sm4 -","4","1","","Goodwin, Conrad A. P.; Chilton, Nicholas F.; Vettese, Gianni F.; Moreno Pineda, Eufemio; Crowe, Iain F.; Ziller, Joseph W.; Winpenny, Richard E. P.; Evans, William J.; Mills, David P.","Physicochemical Properties of Near-Linear Lanthanide(II) Bis(silylamide) Complexes (Ln = Sm, Eu, Tm, Yb).","Inorganic chemistry","2016","55","20","10057","10067","10.1021/acs.inorgchem.6b00808","","","0.71073","MoKα","","0.0814","0.0483","","","0.0727","0.0839","","","","","","1.027","","","","has coordinates","232594","2020-10-21","18:00:00",""
"4347965","14.605","0.002","18.611","0.002","15.9","0.002","90","","106.146","0.016","90","","4151.4","1","150.02","0.1","150.02","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C88 H124 N2 O4 Si4 Sm2 -","- C88 H124 N2 O4 Si4 Sm2 -","- C176 H248 N4 O8 Si8 Sm4 -","2","0.5","","Goodwin, Conrad A. P.; Chilton, Nicholas F.; Vettese, Gianni F.; Moreno Pineda, Eufemio; Crowe, Iain F.; Ziller, Joseph W.; Winpenny, Richard E. P.; Evans, William J.; Mills, David P.","Physicochemical Properties of Near-Linear Lanthanide(II) Bis(silylamide) Complexes (Ln = Sm, Eu, Tm, Yb).","Inorganic chemistry","2016","55","20","10057","10067","10.1021/acs.inorgchem.6b00808","","","0.71073","MoKα","","0.124","0.0607","","","0.0762","0.0923","","","","","","0.943","","","","has coordinates","232594","2020-10-21","18:00:00",""
"4347966","11.381","0.001","14.734","0.001","20.5","0.001","71.256","0.007","74.043","0.01","70.057","0.01","3006.8","0.4","100","2","100","2","","","","","","","","2","P -1","-P 1","2","","","","- C108 Cl12 -","- C108 Cl12 -","- C216 Cl24 -","2","1","","Wang, Song; Yang, Shangfeng; Kemnitz, Erhard; Troyanov, Sergey I.","New Giant Fullerenes Identified as Chloro Derivatives: Isolated-Pentagon-Rule C108(1771)Cl12 and C106(1155)Cl24 as well as Nonclassical C104Cl24.","Inorganic chemistry","2016","55","12","5741","5743","10.1021/acs.inorgchem.6b00809","","","0.88561","synchrotron","","0.255","0.1024","","","0.1887","0.2242","","","","","","0.996","","","","has coordinates","232595","2020-10-21","18:00:00",""
"4347967","23.306","0.002","12.322","0.001","27.987","0.003","90","","113.423","0.012","90","","7374.9","1.4","100","2","100","2","","","","","","","","2","C 1 2/c 1","-C 2yc","15","","","","- C104.46 Cl24 -","- C104.468 Cl24 -","- C417.872 Cl96 -","4","0.5","","Wang, Song; Yang, Shangfeng; Kemnitz, Erhard; Troyanov, Sergey I.","New Giant Fullerenes Identified as Chloro Derivatives: Isolated-Pentagon-Rule C108(1771)Cl12 and C106(1155)Cl24 as well as Nonclassical C104Cl24.","Inorganic chemistry","2016","55","12","5741","5743","10.1021/acs.inorgchem.6b00809","","","0.88561","synchrotron","","0.1412","0.0739","","","0.1621","0.1813","","","","","","1.09","","","","has coordinates,has disorder","232596","2020-10-21","18:00:00",""
"4347968","13.62","0.003","9.7851","0.0019","13.282","0.003","90","","90","","90","","1770.1","0.7","100","2","100","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C12 H16 Cu N10 O6 -","- C12 H16 Cu N10 O6 -","- C48 H64 Cu4 N40 O24 -","4","1","","Nguyen, Nhung T. T.; Lo, Tien N. H.; Kim, Jaheon; Nguyen, Huong T. D.; Le, Toan B.; Cordova, Kyle E.; Furukawa, Hiroyasu","Mixed-Metal Zeolitic Imidazolate Frameworks and their Selective Capture of Wet Carbon Dioxide over Methane.","Inorganic chemistry","2016","55","12","6201","6207","10.1021/acs.inorgchem.6b00814","","","1.54178","CuKα","","0.0234","0.0224","","","0.057","0.0583","","","","","","1.001","","","","has coordinates","232597","2020-10-21","18:00:00",""
"4347969","10.9562","0.0004","10.9562","0.0004","6.2181","0.0002","90","","90","","90","","746.41","0.05","100","2","100","2","","","","","","","","5","P -4 21 c","P -4 2n","114","","","","- C12 H12 Cu2 N8 Zn -","- C12 H12 Cu2 N8 Zn -","- C24 H24 Cu4 N16 Zn2 -","2","0.25","","Nguyen, Nhung T. T.; Lo, Tien N. H.; Kim, Jaheon; Nguyen, Huong T. D.; Le, Toan B.; Cordova, Kyle E.; Furukawa, Hiroyasu","Mixed-Metal Zeolitic Imidazolate Frameworks and their Selective Capture of Wet Carbon Dioxide over Methane.","Inorganic chemistry","2016","55","12","6201","6207","10.1021/acs.inorgchem.6b00814","","","1.54178","CuKα","","0.0204","0.0204","","","0.0589","0.0589","","","","","","1.128","","","","has coordinates","232598","2020-10-21","18:00:00",""
"4347970","11.946","0.002","13.302","0.003","17.777","0.004","90","","98.35","0.03","90","","2794.9","1","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C18 H23 Cu1.5 N11 O1.5 Zn -","- C18 H23 Cu1.5 N11 O1.5 Zn -","- C72 H92 Cu6 N44 O6 Zn4 -","4","1","","Nguyen, Nhung T. T.; Lo, Tien N. H.; Kim, Jaheon; Nguyen, Huong T. D.; Le, Toan B.; Cordova, Kyle E.; Furukawa, Hiroyasu","Mixed-Metal Zeolitic Imidazolate Frameworks and their Selective Capture of Wet Carbon Dioxide over Methane.","Inorganic chemistry","2016","55","12","6201","6207","10.1021/acs.inorgchem.6b00814","","","1.54178","CuKα","","0.149","0.0761","","","0.1835","0.2155","","","","","","1.06","","","","has coordinates","232599","2020-10-21","18:00:00",""
"4347971","23.252","0.005","13.098","0.003","20.301","0.007","90","","114.099","0.006","90","","5644","3","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C23 H26.5 Cu1.5 N14.5 Zn -","- C23 H26.5 Cu1.5 N14.5 Zn -","- C184 H212 Cu12 N116 Zn8 -","8","1","","Nguyen, Nhung T. T.; Lo, Tien N. H.; Kim, Jaheon; Nguyen, Huong T. D.; Le, Toan B.; Cordova, Kyle E.; Furukawa, Hiroyasu","Mixed-Metal Zeolitic Imidazolate Frameworks and their Selective Capture of Wet Carbon Dioxide over Methane.","Inorganic chemistry","2016","55","12","6201","6207","10.1021/acs.inorgchem.6b00814","","","1.54178","CuKα","","0.0521","0.0411","","","0.0912","0.0955","","","","","","1.258","","","","has coordinates,has disorder","232600","2020-10-21","18:00:00",""
"4347972","12.1289","0.0003","19.7968","0.0014","22.255","0.0011","90","","101.161","0.004","90","","5242.7","0.5","150","0.1","150","0.1","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C42 H46 Cu2 F9 N7 O13 S4 -","- C42 H46 Cu2 F9 N7 O13 S4 -","- C168 H184 Cu8 F36 N28 O52 S16 -","4","1","","Esmieu, Charlène; Orio, Maylis; Le Pape, Laurent; Lebrun, Colette; Pécaut, Jacques; Ménage, Stéphane; Torelli, Stéphane","Redox-Innocent Metal-Assisted Cleavage of S-S Bond in a Disulfide-Containing Ligand.","Inorganic chemistry","2016","55","12","6208","6217","10.1021/acs.inorgchem.6b00819","","","0.71073","MoKα","","0.1068","0.0613","","","0.1317","0.1516","","","","","","1.015","","","","has coordinates,has disorder","232601","2020-10-21","18:00:00",""
"4347973","13.9189","0.0006","17.8863","0.001","25.2254","0.0013","87.155","0.004","77.418","0.004","75.588","0.005","5936.3","0.5","150","0.1","150","0.1","","","","","","","","7","P -1","-P 1","2","","","","- C91.49 H89.22 Cu4 F24 N20.74 O24 S10 -","- C91.486 H89.229 Cu4 F24 N20.743 O24 S10 -","- C182.972 H178.458 Cu8 F48 N41.486 O48 S20 -","2","1","","Esmieu, Charlène; Orio, Maylis; Le Pape, Laurent; Lebrun, Colette; Pécaut, Jacques; Ménage, Stéphane; Torelli, Stéphane","Redox-Innocent Metal-Assisted Cleavage of S-S Bond in a Disulfide-Containing Ligand.","Inorganic chemistry","2016","55","12","6208","6217","10.1021/acs.inorgchem.6b00819","","","0.71073","MoKα","","0.1898","0.0959","","","0.2205","0.2731","","","","","","1.018","","","","has coordinates,has disorder","232603","2020-10-21","18:00:00",""
"4347974","13.0878","0.001","18.9012","0.0013","20.7938","0.0014","90","","104.188","0.008","90","","4987","0.6","150","0.1","150","0.1","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C40 H39 Cu2 F9 N8 O11.58 S4 -","- C40 H39 Cu2 F9 N8 O11.578 S4 -","- C160 H156 Cu8 F36 N32 O46.312 S16 -","4","1","","Esmieu, Charlène; Orio, Maylis; Le Pape, Laurent; Lebrun, Colette; Pécaut, Jacques; Ménage, Stéphane; Torelli, Stéphane","Redox-Innocent Metal-Assisted Cleavage of S-S Bond in a Disulfide-Containing Ligand.","Inorganic chemistry","2016","55","12","6208","6217","10.1021/acs.inorgchem.6b00819","","","0.71073","MoKα","","0.098","0.0604","","","0.1465","0.1762","","","","","","1.063","","","","has coordinates,has disorder","232604","2020-10-21","18:00:00",""
"4347975","5.4262","0.0005","9.5083","0.0009","32.704","0.004","90","","90.447","0.004","90","","1687.3","0.3","110","2","110","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C19 H15 Cl2 O P -","- C19 H15 Cl2 O P -","- C76 H60 Cl8 O4 P4 -","4","1","","Schlindwein, Simon H.; Bader, Katharina; Sibold, Carlo; Frey, Wolfgang; Neugebauer, Petr; Orlita, Milan; Slageren, Joris van; Gudat, Dietrich","New Selective Synthesis of Dithiaboroles as a Viable Pathway to Functionalized Benzenedithiolenes and Their Complexes.","Inorganic chemistry","2016","55","12","6186","6194","10.1021/acs.inorgchem.6b00821","","","0.71073","MoKα","","0.0874","0.0459","","","0.08","0.0927","","","","","","1.011","","","","has coordinates,has disorder","232605","2020-10-21","18:00:00",""
"4347976","14.2038","0.001","8.1279","0.0005","19.2114","0.0013","90","","106.46","0.005","90","","2127","0.3","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C44 H46 N2 O2 P2 Pd S4 -","- C44 H46 N2 O2 P2 Pd S4 -","- C88 H92 N4 O4 P4 Pd2 S8 -","2","0.5","","Schlindwein, Simon H.; Bader, Katharina; Sibold, Carlo; Frey, Wolfgang; Neugebauer, Petr; Orlita, Milan; Slageren, Joris van; Gudat, Dietrich","New Selective Synthesis of Dithiaboroles as a Viable Pathway to Functionalized Benzenedithiolenes and Their Complexes.","Inorganic chemistry","2016","55","12","6186","6194","10.1021/acs.inorgchem.6b00821","","","1.54178","CuKα","","0.067","0.0467","","","0.1181","0.1305","","","","","","1.037","","","","has coordinates","232606","2020-10-21","18:00:00",""
"4347977","24.417","0.003","11.1257","0.0014","16.921","0.002","90","","111.05","0.003","90","","4289.9","0.9","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C46 H50 Co N O2 P2 S4 -","- C46 H50 Co N O2 P2 S4 -","- C184 H200 Co4 N4 O8 P8 S16 -","4","0.5","","Schlindwein, Simon H.; Bader, Katharina; Sibold, Carlo; Frey, Wolfgang; Neugebauer, Petr; Orlita, Milan; Slageren, Joris van; Gudat, Dietrich","New Selective Synthesis of Dithiaboroles as a Viable Pathway to Functionalized Benzenedithiolenes and Their Complexes.","Inorganic chemistry","2016","55","12","6186","6194","10.1021/acs.inorgchem.6b00821","","","0.71073","MoKα","","0.0762","0.041","","","0.0822","0.0984","","","","","","1.045","","","","has coordinates,has disorder","232607","2020-10-21","18:00:00",""
"4347978","3.9679","0.0006","12.692","0.002","11.008","0.0016","90","","92.342","0.005","90","","553.91","0.15","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C6 H2 B2 Br2 S4 -","- C6 H2 B2 Br2 S4 -","- C12 H4 B4 Br4 S8 -","2","0.5","","Schlindwein, Simon H.; Bader, Katharina; Sibold, Carlo; Frey, Wolfgang; Neugebauer, Petr; Orlita, Milan; Slageren, Joris van; Gudat, Dietrich","New Selective Synthesis of Dithiaboroles as a Viable Pathway to Functionalized Benzenedithiolenes and Their Complexes.","Inorganic chemistry","2016","55","12","6186","6194","10.1021/acs.inorgchem.6b00821","","","0.71073","MoKα","","0.0523","0.0456","","","0.1129","0.1152","","","","","","1.169","","","","has coordinates","232608","2020-10-21","18:00:00",""
"4347979","7.6486","0.0006","14.1797","0.0009","15.0546","0.0012","90","","96.171","0.002","90","","1623.3","0.2","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C9 H9 B2 Br3 S4 -","- C9 H9 B2 Br3 S4 -","- C36 H36 B8 Br12 S16 -","4","1","","Schlindwein, Simon H.; Bader, Katharina; Sibold, Carlo; Frey, Wolfgang; Neugebauer, Petr; Orlita, Milan; Slageren, Joris van; Gudat, Dietrich","New Selective Synthesis of Dithiaboroles as a Viable Pathway to Functionalized Benzenedithiolenes and Their Complexes.","Inorganic chemistry","2016","55","12","6186","6194","10.1021/acs.inorgchem.6b00821","","","0.71073","MoKα","","0.0519","0.0249","","","0.0388","0.0443","","","","","","1.01","","","","has coordinates","232609","2020-10-21","18:00:00",""
"4347980","5.4293","0.0004","17.2807","0.001","17.9861","0.0011","90","","95.141","0.003","90","","1680.71","0.19","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H17 P S2 -","- C19 H17 P S2 -","- C76 H68 P4 S8 -","4","1","","Schlindwein, Simon H.; Bader, Katharina; Sibold, Carlo; Frey, Wolfgang; Neugebauer, Petr; Orlita, Milan; Slageren, Joris van; Gudat, Dietrich","New Selective Synthesis of Dithiaboroles as a Viable Pathway to Functionalized Benzenedithiolenes and Their Complexes.","Inorganic chemistry","2016","55","12","6186","6194","10.1021/acs.inorgchem.6b00821","","","0.71073","MoKα","","0.0452","0.0321","","","0.0832","0.0889","","","","","","1.041","","","","has coordinates","232610","2020-10-21","18:00:00",""
"4347981","21.395","0.004","10.626","0.002","15.892","0.003","90","","112.32","0.03","90","","3342.2","1.3","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C9 H10 B2 Br4 S3 -","- C9 H10 B2 Br4 S3 -","- C72 H80 B16 Br32 S24 -","8","1","","Schlindwein, Simon H.; Bader, Katharina; Sibold, Carlo; Frey, Wolfgang; Neugebauer, Petr; Orlita, Milan; Slageren, Joris van; Gudat, Dietrich","New Selective Synthesis of Dithiaboroles as a Viable Pathway to Functionalized Benzenedithiolenes and Their Complexes.","Inorganic chemistry","2016","55","12","6186","6194","10.1021/acs.inorgchem.6b00821","","","0.71073","MoKα","","0.0715","0.0415","","","0.0732","0.0797","","","","","","1.051","","","","has coordinates","232611","2020-10-21","18:00:00",""
"4347982","8.1081","0.0005","10.9683","0.0006","15.0822","0.0008","97.811","0.003","103.292","0.003","101.172","0.003","1257.54","0.13","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C12 H16 B3 Br7 S4 -","- C12 H16 B3 Br7 S4 -","- C24 H32 B6 Br14 S8 -","2","1","","Schlindwein, Simon H.; Bader, Katharina; Sibold, Carlo; Frey, Wolfgang; Neugebauer, Petr; Orlita, Milan; Slageren, Joris van; Gudat, Dietrich","New Selective Synthesis of Dithiaboroles as a Viable Pathway to Functionalized Benzenedithiolenes and Their Complexes.","Inorganic chemistry","2016","55","12","6186","6194","10.1021/acs.inorgchem.6b00821","","","0.71073","MoKα","","0.07","0.0349","","","0.0456","0.0514","","","","","","0.966","","","","has coordinates","232612","2020-10-21","18:00:00",""
"4347983","12.69","0.002","13.161","0.003","13.853","0.003","109.413","0.006","99.263","0.006","92.666","0.005","2141.2","0.8","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C44 H46 N Ni O2 P2 S4 -","- C44 H46 N Ni O2 P2 S4 -","- C88 H92 N2 Ni2 O4 P4 S8 -","2","1","","Schlindwein, Simon H.; Bader, Katharina; Sibold, Carlo; Frey, Wolfgang; Neugebauer, Petr; Orlita, Milan; Slageren, Joris van; Gudat, Dietrich","New Selective Synthesis of Dithiaboroles as a Viable Pathway to Functionalized Benzenedithiolenes and Their Complexes.","Inorganic chemistry","2016","55","12","6186","6194","10.1021/acs.inorgchem.6b00821","","","0.71073","MoKα","","0.1655","0.0627","","","0.1056","0.1367","","","","","","0.976","","","","has coordinates","232613","2020-10-21","18:00:00",""
"4347984","6.3515","0.0012","20.724","0.003","17.811","0.003","90","","98.948","0.009","90","","2315.9","0.7","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C25 H29 O P S2 -","- C25 H29 O P S2 -","- C100 H116 O4 P4 S8 -","4","1","","Schlindwein, Simon H.; Bader, Katharina; Sibold, Carlo; Frey, Wolfgang; Neugebauer, Petr; Orlita, Milan; Slageren, Joris van; Gudat, Dietrich","New Selective Synthesis of Dithiaboroles as a Viable Pathway to Functionalized Benzenedithiolenes and Their Complexes.","Inorganic chemistry","2016","55","12","6186","6194","10.1021/acs.inorgchem.6b00821","","","0.71073","MoKα","","0.1425","0.0945","","","0.255","0.2801","","","","","","1.094","","","","has coordinates","232614","2020-10-21","18:00:00",""
"4347985","11.4978","0.0005","13.3495","0.0006","22.0594","0.0011","90","","90","","90","","3385.9","0.3","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C19 H17 O P S2 -","- C19 H17 O P S2 -","- C152 H136 O8 P8 S16 -","8","1","","Schlindwein, Simon H.; Bader, Katharina; Sibold, Carlo; Frey, Wolfgang; Neugebauer, Petr; Orlita, Milan; Slageren, Joris van; Gudat, Dietrich","New Selective Synthesis of Dithiaboroles as a Viable Pathway to Functionalized Benzenedithiolenes and Their Complexes.","Inorganic chemistry","2016","55","12","6186","6194","10.1021/acs.inorgchem.6b00821","","","0.71073","MoKα","","0.064","0.0458","","","0.1004","0.1085","","","","","","1.121","","","","has coordinates","232615","2020-10-21","18:00:00",""
"4347986","16.9087","0.0017","16.9087","0.0017","16.6617","0.0017","90","","90","","90","","4763.6","0.8","298","2","298","2","","","","","","","","8","I 4/m","-I 4","87","","","","- C24 H84 Co4 N16 Nb10 O46 P V6 -","- C24 H84 Co4 N16 Nb10 O46 P V6 -","- C48 H168 Co8 N32 Nb20 O92 P2 V12 -","2","0.125","","Hu, Jufang; Wang, Yin; Zhang, Xinning; Chi, Yingnan; Yang, Song; Li, Jikun; Hu, Changwen","Controllable Assembly of Vanadium-Containing Polyoxoniobate-Based Three-Dimensional Organic-Inorganic Hybrid Compounds and Their Photocatalytic Properties.","Inorganic chemistry","2016","55","15","7501","7507","10.1021/acs.inorgchem.6b00823","","","0.71073","MoKα","","0.0611","0.0482","","","0.1329","0.1402","","","","","","0.996","","","","has coordinates","232616","2020-10-21","18:00:00",""
"4347987","13.303","0.0011","14.126","0.0012","14.3554","0.0013","77.171","0.001","80.038","0.002","63.088","0.001","2337.3","0.3","298","2","298","2","","","","","","","","8","P -1","-P 1","2","","","","- C30 H122 Co5 N20 Nb12 O58 P V6 -","- C30 H122 Co5 N20 Nb12 O58 P V6 -","- C30 H122 Co5 N20 Nb12 O58 P V6 -","1","0.5","","Hu, Jufang; Wang, Yin; Zhang, Xinning; Chi, Yingnan; Yang, Song; Li, Jikun; Hu, Changwen","Controllable Assembly of Vanadium-Containing Polyoxoniobate-Based Three-Dimensional Organic-Inorganic Hybrid Compounds and Their Photocatalytic Properties.","Inorganic chemistry","2016","55","15","7501","7507","10.1021/acs.inorgchem.6b00823","","","0.71073","MoKα","","0.1099","0.0612","","","0.1588","0.1986","","","","","","1.024","","","","has coordinates,has disorder","232616","2020-10-21","18:00:00",""
"4347988","6.989","0.0001","11.5447","0.0002","17.1361","0.0003","87.1034","0.0013","87.0287","0.0014","73.1174","0.0013","1320.36","0.04","100","2","100","2","","","","","","","","4","P -1","-P 1","2","SQ1","","","- C28 H29.5 N4 O8 -","- C28 H29.5 N4 O8 -","- C56 H59 N8 O16 -","2","1","","Cohen, Seth M.; Zhang, Zhenjie; Boissonnault, Jake A.","Toward ""metalloMOFzymes"": Metal-Organic Frameworks with Single-Site Metal Catalysts for Small-Molecule Transformations.","Inorganic chemistry","2016","55","15","7281","7290","10.1021/acs.inorgchem.6b00828","","","1.54178","CuKα","","0.075","0.0512","","","0.1369","0.1545","","","","","","1.025","","","","has coordinates,has disorder","232618","2020-10-21","18:00:00",""
"4347989","7.7694","0.0003","20.715","0.0008","7.7727","0.0003","90","","115.385","0.0011","90","","1130.18","0.08","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C13 H14 N2 O2 -","- C13 H14 N2 O2 -","- C52 H56 N8 O8 -","4","1","","Dolgopolova, Ekaterina A.; Rice, Allison M.; Smith, Mark D.; Shustova, Natalia B.","Photophysics, Dynamics, and Energy Transfer in Rigid Mimics of GFP-based Systems.","Inorganic chemistry","2016","55","15","7257","7264","10.1021/acs.inorgchem.6b00835","","x-ray","0.71073","MoKα","","0.0497","0.0375","","","0.0973","0.1035","","","","","","1.044","","","","has coordinates","232620","2020-10-21","18:00:00",""
"4347990","6.8414","0.0002","17.9762","0.0004","10.9752","0.0003","90","","93.984","0.001","90","","1346.49","0.06","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C15 H16 N2 O4 -","- C15 H16 N2 O4 -","- C60 H64 N8 O16 -","4","1","","Dolgopolova, Ekaterina A.; Rice, Allison M.; Smith, Mark D.; Shustova, Natalia B.","Photophysics, Dynamics, and Energy Transfer in Rigid Mimics of GFP-based Systems.","Inorganic chemistry","2016","55","15","7257","7264","10.1021/acs.inorgchem.6b00835","","x-ray","0.71073","MoKα","","0.0534","0.0415","","","0.0981","0.1036","","","","","","1.052","","","","has coordinates","232621","2020-10-21","18:00:00",""
"4347991","5.7373","0.0002","26.2795","0.0008","7.3317","0.0002","90","","102.146","0.001","90","","1080.68","0.06","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C12 H11 F N2 O2 -","- C12 H11 F N2 O2 -","- C48 H44 F4 N8 O8 -","4","1","","Dolgopolova, Ekaterina A.; Rice, Allison M.; Smith, Mark D.; Shustova, Natalia B.","Photophysics, Dynamics, and Energy Transfer in Rigid Mimics of GFP-based Systems.","Inorganic chemistry","2016","55","15","7257","7264","10.1021/acs.inorgchem.6b00835","","x-ray","0.71073","MoKα","","0.054","0.0422","","","0.1134","0.1198","","","","","","1.053","","","","has coordinates","232622","2020-10-21","18:00:00",""
"4347992","7.5315","0.0006","8.0931","0.0007","20.7005","0.0016","91.05","0.002","90.542","0.002","117.54","0.002","1118.37","0.16","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C12 H11 Br N2 O -","- C12 H11 Br N2 O -","- C48 H44 Br4 N8 O4 -","4","2","","Dolgopolova, Ekaterina A.; Rice, Allison M.; Smith, Mark D.; Shustova, Natalia B.","Photophysics, Dynamics, and Energy Transfer in Rigid Mimics of GFP-based Systems.","Inorganic chemistry","2016","55","15","7257","7264","10.1021/acs.inorgchem.6b00835","","x-ray","0.71073","MoKα","","0.0553","0.0357","","","0.0582","0.0616","","","","","","0.995","","","","has coordinates","232623","2020-10-21","18:00:00",""
"4347993","6.8751","0.0002","8.0439","0.0002","10.0589","0.0003","92.1523","0.0013","96.7115","0.0012","98.5268","0.0012","545.51","0.03","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C12 H11 Cl N2 O2 -","- C12 H11 Cl N2 O2 -","- C24 H22 Cl2 N4 O4 -","2","1","","Dolgopolova, Ekaterina A.; Rice, Allison M.; Smith, Mark D.; Shustova, Natalia B.","Photophysics, Dynamics, and Energy Transfer in Rigid Mimics of GFP-based Systems.","Inorganic chemistry","2016","55","15","7257","7264","10.1021/acs.inorgchem.6b00835","","x-ray","0.71073","MoKα","","0.0426","0.0316","","","0.0781","0.0823","","","","","","1.038","","","","has coordinates","232624","2020-10-21","18:00:00",""
"4347994","7.0858","0.0002","7.1022","0.0002","11.1505","0.0004","79.694","0.001","78.502","0.001","78.265","0.001","532.76","0.03","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C12 H12 N2 O3 -","- C12 H12 N2 O3 -","- C24 H24 N4 O6 -","2","1","","Dolgopolova, Ekaterina A.; Rice, Allison M.; Smith, Mark D.; Shustova, Natalia B.","Photophysics, Dynamics, and Energy Transfer in Rigid Mimics of GFP-based Systems.","Inorganic chemistry","2016","55","15","7257","7264","10.1021/acs.inorgchem.6b00835","","x-ray","0.71073","MoKα","","0.0389","0.0326","","","0.0884","0.0928","","","","","","1.046","","","","has coordinates","232625","2020-10-21","18:00:00",""
"4347996","14.4323","0.0011","6.9502","0.0006","14.6149","0.0013","90","","105.291","0.003","90","","1414.1","0.2","100","2","100","2","","","","","","","","4","C 1 2/m 1","-C 2y","12","","","","- C16 H20 N2 O2 -","- C16 H20 N2 O2 -","- C64 H80 N8 O8 -","4","0.5","","Dolgopolova, Ekaterina A.; Rice, Allison M.; Smith, Mark D.; Shustova, Natalia B.","Photophysics, Dynamics, and Energy Transfer in Rigid Mimics of GFP-based Systems.","Inorganic chemistry","2016","55","15","7257","7264","10.1021/acs.inorgchem.6b00835","","x-ray","0.71073","MoKα","","0.0407","0.0357","","","0.0999","0.1035","","","","","","1.047","","","","has coordinates,has disorder","232627","2020-10-21","18:00:00",""
"4347998","6.9804","0.0005","11.3198","0.0007","13.3247","0.0008","90","","103.543","0.002","90","","1023.6","0.12","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H11 F N2 O -","- C12 H11 F N2 O -","- C48 H44 F4 N8 O4 -","4","1","","Dolgopolova, Ekaterina A.; Rice, Allison M.; Smith, Mark D.; Shustova, Natalia B.","Photophysics, Dynamics, and Energy Transfer in Rigid Mimics of GFP-based Systems.","Inorganic chemistry","2016","55","15","7257","7264","10.1021/acs.inorgchem.6b00835","","x-ray","0.71073","MoKα","","0.0606","0.0529","","","0.1538","0.1581","","","","","","1.143","","","","has coordinates","232629","2020-10-21","18:00:00",""
"4348000","7.5769","0.0002","21.9043","0.0007","7.5614","0.0002","90","","118.253","0.001","90","","1105.43","0.06","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C13 H14 N2 O -","- C13 H14 N2 O -","- C52 H56 N8 O4 -","4","1","","Dolgopolova, Ekaterina A.; Rice, Allison M.; Smith, Mark D.; Shustova, Natalia B.","Photophysics, Dynamics, and Energy Transfer in Rigid Mimics of GFP-based Systems.","Inorganic chemistry","2016","55","15","7257","7264","10.1021/acs.inorgchem.6b00835","","x-ray","0.71073","MoKα","","0.0433","0.0373","","","0.0974","0.1015","","","","","","1.048","","","","has coordinates","232632","2020-10-21","18:00:00",""
"4348002","7.0394","0.0003","7.4097","0.0003","11.9281","0.0005","86.993","0.001","76.794","0.001","68.403","0.001","562.85","0.04","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C13 H14 N2 O2 -","- C13 H14 N2 O2 -","- C26 H28 N4 O4 -","2","1","","Dolgopolova, Ekaterina A.; Rice, Allison M.; Smith, Mark D.; Shustova, Natalia B.","Photophysics, Dynamics, and Energy Transfer in Rigid Mimics of GFP-based Systems.","Inorganic chemistry","2016","55","15","7257","7264","10.1021/acs.inorgchem.6b00835","","x-ray","0.71073","MoKα","","0.0448","0.0376","","","0.1037","0.1086","","","","","","1.044","","","","has coordinates","232634","2020-10-21","18:00:00",""
"4348003","7.4018","0.001","8.1588","0.0011","20.397","0.003","91.395","0.004","90.755","0.004","117.298","0.003","1093.9","0.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C12 H11 Cl N2 O -","- C12 H11 Cl N2 O -","- C48 H44 Cl4 N8 O4 -","4","2","","Dolgopolova, Ekaterina A.; Rice, Allison M.; Smith, Mark D.; Shustova, Natalia B.","Photophysics, Dynamics, and Energy Transfer in Rigid Mimics of GFP-based Systems.","Inorganic chemistry","2016","55","15","7257","7264","10.1021/acs.inorgchem.6b00835","","x-ray","0.71073","MoKα","","0.0862","0.048","","","0.0868","0.0936","","","","","","0.981","","","","has coordinates","232635","2020-10-21","18:00:00",""
"4348008","13.4682","0.0003","11.7809","0.0002","30.2654","0.0006","90","","90","","90","","4802.14","0.16","123","2","123","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C12 H35 Cs Li N2 Si4 -","- C12 H35 Cs Li N2 Si4 -","- C96 H280 Cs8 Li8 N16 Si32 -","8","1","","Ojeda-Amador, Ana I; Martínez-Martínez, Antonio J; Kennedy, Alan R.; O'Hara, Charles T","Structural Studies of Cesium, Lithium/Cesium, and Sodium/Cesium Bis(trimethylsilyl)amide (HMDS) Complexes.","Inorganic chemistry","2016","55","11","5719","5728","10.1021/acs.inorgchem.6b00839","","","1.54184","CuKα","","0.04","0.0336","","","0.0862","0.0912","","","","","","1.032","","","","has coordinates,has disorder","232638","2020-10-21","18:00:00",""
"4348009","11.4391","0.0006","11.6765","0.0006","12.9108","0.0005","106.202","0.004","93.447","0.004","114.11","0.005","1481.41","0.15","123","2","123","2","","","","","","","","6","P -1","-P 1","2","","","","- C19 H44 Cs N2 Na Si4 -","- C19 H44 Cs0.989 N2 Na Si4 -","- C38 H88 Cs1.978 N4 Na2 Si8 -","2","1","","Ojeda-Amador, Ana I; Martínez-Martínez, Antonio J; Kennedy, Alan R.; O'Hara, Charles T","Structural Studies of Cesium, Lithium/Cesium, and Sodium/Cesium Bis(trimethylsilyl)amide (HMDS) Complexes.","Inorganic chemistry","2016","55","11","5719","5728","10.1021/acs.inorgchem.6b00839","","","1.54184","CuKα","","0.0437","0.0378","","","0.0962","0.1","","","","","","1.041","","","","has coordinates","286259","2023-09-07","06:04:50",""
"4348010","12.91754","0.00014","12.61987","0.00012","15.1223","0.0002","90","","108.497","0.0013","90","","2337.85","0.05","123","2","123","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C32 H80 Cs2 N6 Si4 -","- C32 H80 Cs2 N6 Si4 -","- C64 H160 Cs4 N12 Si8 -","2","1","","Ojeda-Amador, Ana I; Martínez-Martínez, Antonio J; Kennedy, Alan R.; O'Hara, Charles T","Structural Studies of Cesium, Lithium/Cesium, and Sodium/Cesium Bis(trimethylsilyl)amide (HMDS) Complexes.","Inorganic chemistry","2016","55","11","5719","5728","10.1021/acs.inorgchem.6b00839","","","0.71073","MoKα","","0.0273","0.0248","","","0.0514","0.0522","","","","","","1.046","","","","has coordinates,has disorder","232638","2020-10-21","18:00:00",""
"4348011","23.3554","0.0005","8.7973","0.0002","20.8394","0.0005","90","","95.346","0.002","90","","4263.13","0.17","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C24 H68 Cs2 N6 Si4 -","- C24 H68 Cs2 N6 Si4 -","- C96 H272 Cs8 N24 Si16 -","4","0.5","","Ojeda-Amador, Ana I; Martínez-Martínez, Antonio J; Kennedy, Alan R.; O'Hara, Charles T","Structural Studies of Cesium, Lithium/Cesium, and Sodium/Cesium Bis(trimethylsilyl)amide (HMDS) Complexes.","Inorganic chemistry","2016","55","11","5719","5728","10.1021/acs.inorgchem.6b00839","","","0.71073","MoKα","","0.0299","0.0249","","","0.0516","0.054","","","","","","1.283","","","","has coordinates,has disorder","232638","2020-10-21","18:00:00",""
"4348012","11.7055","0.0004","11.7849","0.0005","17.8482","0.0008","90","","100.379","0.004","90","","2421.84","0.17","123","2","123","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C30 H82 Cs2 N8 Si4 -","- C30 H82 Cs2 N8 Si4 -","- C60 H164 Cs4 N16 Si8 -","2","0.5","","Ojeda-Amador, Ana I; Martínez-Martínez, Antonio J; Kennedy, Alan R.; O'Hara, Charles T","Structural Studies of Cesium, Lithium/Cesium, and Sodium/Cesium Bis(trimethylsilyl)amide (HMDS) Complexes.","Inorganic chemistry","2016","55","11","5719","5728","10.1021/acs.inorgchem.6b00839","","","0.71073","MoKα","","0.0351","0.0274","","","0.0552","0.0582","","","","","","1.085","","","","has coordinates,has disorder","232638","2020-10-21","18:00:00",""
"4348013","11.0696","0.0005","13.2566","0.0007","16.0829","0.0007","106.321","0.004","98.475","0.004","95.449","0.004","2217.01","0.19","123","2","123","2","","","","","","","","5","P -1","-P 1","2","","","","- C27.5 H70 Cs2 N6 Si4 -","- C27.5 H70 Cs2 N6 Si4 -","- C55 H140 Cs4 N12 Si8 -","2","1","","Ojeda-Amador, Ana I; Martínez-Martínez, Antonio J; Kennedy, Alan R.; O'Hara, Charles T","Structural Studies of Cesium, Lithium/Cesium, and Sodium/Cesium Bis(trimethylsilyl)amide (HMDS) Complexes.","Inorganic chemistry","2016","55","11","5719","5728","10.1021/acs.inorgchem.6b00839","","","0.71073","MoKα","","0.0407","0.0286","","","0.0638","0.0725","","","","","","1.102","","","","has coordinates,has disorder","232638","2020-10-21","18:00:00",""
"4348014","10.1936","0.0008","11.0301","0.0007","15.1092","0.0008","82.412","0.005","83.998","0.006","67.642","0.007","1554.62","0.19","123","2","123","2","","","","","","","","6","P -1","-P 1","2","","","","- C21 H51 Cs N2 O6 Si2 -","- C21 H51 Cs N2 O6 Si2 -","- C42 H102 Cs2 N4 O12 Si4 -","2","1","","Ojeda-Amador, Ana I; Martínez-Martínez, Antonio J; Kennedy, Alan R.; O'Hara, Charles T","Structural Studies of Cesium, Lithium/Cesium, and Sodium/Cesium Bis(trimethylsilyl)amide (HMDS) Complexes.","Inorganic chemistry","2016","55","11","5719","5728","10.1021/acs.inorgchem.6b00839","","","0.71073","MoKα","","0.0334","0.0265","","","0.0532","0.0563","","","","","","1.038","","","","has coordinates","232638","2020-10-21","18:00:00",""
"4348015","12.8932","0.0006","13.3868","0.0007","13.8876","0.0007","117.522","0.002","94.824","0.002","105.152","0.002","1992.19","0.18","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C35 H25 B F4 N4 O3 Ru -","- C35 H25 B F4 N4 O3 Ru -","- C70 H50 B2 F8 N8 O6 Ru2 -","2","1","","Han, Xiaozhen; Klausmeyer, Kevin K.; Farmer, Patrick J.","Characterization of the Initial Intermediate Formed during Photoinduced Oxygenation of the Ruthenium(II) Bis(bipyridyl)flavonolate Complex.","Inorganic chemistry","2016","55","15","7320","7322","10.1021/acs.inorgchem.6b00852","","","0.71073","MoKα","","0.071","0.0636","","","0.1664","0.1745","","","","","","1.147","","","","has coordinates","232641","2020-10-21","18:00:00",""
"4348016","36.913","0.01","36.913","0.01","15.452","0.004","90","","90","","90","","21054","10","100","2","100","2","","","","","","","","5","I 41/a :2","-I 4ad","88","","","","- C58 H36 F15 Ir N6 -","- C58 H36 F15 Ir N6 -","- C928 H576 F240 Ir16 N96 -","16","1","","Maurya, Yogesh Kumar; Ishikawa, Takahiro; Kawabe, Yasunori; Ishida, Masatoshi; Toganoh, Motoki; Mori, Shigeki; Yasutake, Yuhsuke; Fukatsu, Susumu; Furuta, Hiroyuki","Near-Infrared Phosphorescent Iridium(III) Benzonorrole Complexes Possessing Pyridine-based Axial Ligands.","Inorganic chemistry","2016","55","12","6223","6230","10.1021/acs.inorgchem.6b00853","","","0.71075","MoKα","","0.0775","0.074","","","0.1524","0.154","","","","","","1.219","","","","has coordinates","232643","2020-10-21","18:00:00",""
"4348017","11.0104","0.0017","15.3207","0.0016","19.061","0.003","66.406","0.006","89.66","0.008","70.254","0.006","2742","0.7","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C61 H44 F15 Ir N8 -","- C61 H44 F15 Ir N8 -","- C122 H88 F30 Ir2 N16 -","2","1","","Maurya, Yogesh Kumar; Ishikawa, Takahiro; Kawabe, Yasunori; Ishida, Masatoshi; Toganoh, Motoki; Mori, Shigeki; Yasutake, Yuhsuke; Fukatsu, Susumu; Furuta, Hiroyuki","Near-Infrared Phosphorescent Iridium(III) Benzonorrole Complexes Possessing Pyridine-based Axial Ligands.","Inorganic chemistry","2016","55","12","6223","6230","10.1021/acs.inorgchem.6b00853","","","0.71075","MoKα","","0.0546","0.0467","","","0.104","0.1096","","","","","","1.066","","","","has coordinates,has disorder","232645","2020-10-21","18:00:00",""
"4348018","8.709","0.0004","15.0672","0.0006","18.6382","0.0007","90","","104.019","0.002","90","","2372.86","0.17","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","[Co(tdmmb)(CN)2]2H2O","","","- C25 H25 Co N9 O2 -","- C25 H25 Co N9 O2 -","- C100 H100 Co4 N36 O8 -","4","1","","Shao, Dong; Zhang, Shao-Liang; Shi, Le; Zhang, Yi-Quan; Wang, Xin-Yi","Probing the Effect of Axial Ligands on Easy-Plane Anisotropy of Pentagonal-Bipyramidal Cobalt(II) Single-Ion Magnets.","Inorganic chemistry","2016","55","21","10859","10869","10.1021/acs.inorgchem.6b00854","","","0.71073","MoKα","","0.0392","0.0307","","","0.0769","0.0815","","","","","","1.03","","","","has coordinates","232647","2020-10-21","18:00:00",""
"4348019","34.7559","0.0019","9.6439","0.0005","14.2612","0.0008","90","","90","","90","","4780.1","0.4","296","2","296","2","","","","","","","","5","F d d 2","F 2 -2d","43","[Co(tdmmb)(NCS)2]","","","- C25 H21 Co N9 S2 -","- C25 H21 Co N9 S2 -","- C200 H168 Co8 N72 S16 -","8","0.5","","Shao, Dong; Zhang, Shao-Liang; Shi, Le; Zhang, Yi-Quan; Wang, Xin-Yi","Probing the Effect of Axial Ligands on Easy-Plane Anisotropy of Pentagonal-Bipyramidal Cobalt(II) Single-Ion Magnets.","Inorganic chemistry","2016","55","21","10859","10869","10.1021/acs.inorgchem.6b00854","","","0.71073","MoKα","","0.0507","0.0503","","","0.1189","0.1191","","","","","","1.102","","","","has coordinates","232647","2020-10-21","18:00:00",""
"4348020","12.311","0.003","19.802","0.005","11.859","0.003","90","","93.549","0.004","90","","2885.5","1.2","123","2","123","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","[Co(tdmmb)(SPh)2]","","","- C35 H31 Co N7 S2 -","- C35 H31 Co N7 S2 -","- C140 H124 Co4 N28 S8 -","4","1","","Shao, Dong; Zhang, Shao-Liang; Shi, Le; Zhang, Yi-Quan; Wang, Xin-Yi","Probing the Effect of Axial Ligands on Easy-Plane Anisotropy of Pentagonal-Bipyramidal Cobalt(II) Single-Ion Magnets.","Inorganic chemistry","2016","55","21","10859","10869","10.1021/acs.inorgchem.6b00854","","","0.71073","MoKα","","0.0518","0.0426","","","0.109","0.1181","","","","","","1.038","","","","has coordinates","232647","2020-10-21","18:00:00",""
"4348021","20.4751","0.0003","20.4751","0.0003","10.4075","0.0002","90","","90","","120","","3778.58","0.11","295.4","0.1","295.4","0.1","","","","","","","","6","P 63","P 6c","173","","","","- C1.1 H0.7 K0.03 Mn0.1 Na0.03 O0.73 -","- C1.1 H0.7 K0.0333333 Mn0.1 Na0.0333333 O0.733333 -","- C66 H42 K2 Mn6 Na2 O44 -","60","10","","Xu, Zhong-Xuan; Liu, Liyang; Zhang, Jian","Synthesis of Metal-Organic Zeolites with Homochirality and High Porosity for Enantioselective Separation.","Inorganic chemistry","2016","55","13","6355","6357","10.1021/acs.inorgchem.6b00865","","","1.54178","CuKα","","0.0391","0.0353","","","0.0943","0.0978","","","","","","1.058","","","","has coordinates","232649","2020-10-21","18:00:00",""
"4348022","20.4489","0.0004","20.4489","0.0004","10.3928","0.0002","90","","90","","120","","3763.6","0.13","293.58","0.1","293.58","0.1","","","","","","","","6","P 63","P 6c","173","","","","- C11 H7 K0.33 Mn Na0.33 O7.33 -","- C11 H7 K0.333333 Mn Na0.333333 O7.33333 -","- C66 H42 K2 Mn6 Na2 O44 -","6","1","","Xu, Zhong-Xuan; Liu, Liyang; Zhang, Jian","Synthesis of Metal-Organic Zeolites with Homochirality and High Porosity for Enantioselective Separation.","Inorganic chemistry","2016","55","13","6355","6357","10.1021/acs.inorgchem.6b00865","","","1.54178","CuKα","","0.0413","0.0375","","","0.0955","0.0976","","","","","","1.062","","","","has coordinates","232649","2020-10-21","18:00:00",""
"4348023","11.5098","0.0012","12.9494","0.0014","14.6016","0.0016","85.639","0.006","82.851","0.005","66.091","0.005","1973.3","0.4","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C3.4 H10.6 Na O3.4 Si -","- C3.4 H10.6 Na O3.4 Si -","- C34 H106 Na10 O34 Si10 -","10","5","","Richers, Casseday P.; Bertke, Jeffery; Rauchfuss, Thomas B.","Insights into the Hydrolytic Polymerization of Trimethoxymethylsilane. Crystal Structure of (MeO)2MeSiONa.","Inorganic chemistry","2016","55","12","5744","5746","10.1021/acs.inorgchem.6b00874","","","0.71073","MoKα","","0.0384","0.0349","","","0.0973","0.1003","","","","","","1.049","","","","has coordinates,has disorder","289031","2024-01-11","08:36:03",""
"4348024","22.771","0.004","13.153","0.0014","15.402","0.002","90","","130.597","0.008","90","","3502.7","0.9","100","","100","","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C32 H22 N6 O4 Ru -","- C32 H22 N6 O4 Ru -","- C128 H88 N24 O16 Ru4 -","4","1","","Beauvilliers, Evan E.; Meyer, Gerald J.","Evidence for Cation-Controlled Excited-State Localization in a Ruthenium Polypyridyl Compound.","Inorganic chemistry","2016","55","15","7517","7526","10.1021/acs.inorgchem.6b00876","","","1.54178","CuKα","","0.0327","0.0319","","","0.0804","0.0809","","","","","","1.032","","","","has coordinates","232653","2020-10-21","18:00:00",""
"4348025","27.981","0.002","11.2983","0.0008","11.8755","0.0009","90","","98.939","0.001","90","","3708.7","0.5","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C90 H48 Eu2 O36 -","- C90 H48 Eu2 O36 -","- C180 H96 Eu4 O72 -","2","0.5","","Einkauf, Jeffrey D.; Kelley, Tanya T.; Chan, Benny C.; de Lill, Daniel T.","Rethinking Sensitized Luminescence in Lanthanide Coordination Polymers and MOFs: Band Sensitization and Water Enhanced Eu Luminescence in [Ln(C15H9O5)3(H2O)3]n (Ln = Eu, Tb).","Inorganic chemistry","2016","55","16","7920","7927","10.1021/acs.inorgchem.6b00878","","","0.71073","MoKα","","0.0916","0.0483","","","0.104","0.1227","","","","","","1.003","","","","has coordinates","232654","2020-10-21","18:00:00",""
"4348026","19.3028","0.0009","15.8763","0.0007","24.1422","0.0011","90","","90","","90","","7398.5","0.6","93","","93","","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C28 H34 F12 N7 O5 P2 Ru2 -","- C28 H34 F12 N7 O5 P2 Ru2 -","- C224 H272 F96 N56 O40 P16 Ru16 -","8","1","","Suzuki, Tomoyo; Suzuki, Yutaka; Kawamoto, Tatsuya; Miyamoto, Ryo; Nanbu, Shinkoh; Nagao, Hirotaka","Dinuclear Ruthenium(III)-Ruthenium(IV) Complexes, Having a Doubly Oxido-Bridged and Acetato- or Nitrato-Capped Framework.","Inorganic chemistry","2016","55","14","6830","6832","10.1021/acs.inorgchem.6b00890","","","0.71075","MoKα","","0.0509","0.0478","","","0.1194","0.122","","","","","","1.161","","","","has coordinates","232656","2020-10-21","18:00:00",""
"4348027","21.719","0.003","19.469","0.002","20.835","0.002","90","","108.856","0.002","90","","8337.2","1.6","298","2","298.15","","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C70 H48 N8 O12 Zn3 -","- C70 H48 N8 O12 Zn3 -","- C280 H192 N32 O48 Zn12 -","4","1","","Zhang, Jie; Li, Zijian; Gong, Wei; Han, Xing; Liu, Yan; Cui, Yong","Chiral DHIP-Based Metal-Organic Frameworks for Enantioselective Recognition and Separation.","Inorganic chemistry","2016","55","15","7229","7232","10.1021/acs.inorgchem.6b00894","","","0.71073","MoKα","","0.1076","0.0524","","","0.1264","0.1512","","","","","","0.953","","","","has coordinates","232659","2020-10-21","18:00:00",""
"4348028","11.6274","0.0018","19.663","0.004","32.678","0.006","90","","90","","90","","7471","2","259","2","259.15","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C70 H48 Cd3 N8 O12 -","- C70 H48 Cd3 N8 O12 -","- C280 H192 Cd12 N32 O48 -","4","1","","Zhang, Jie; Li, Zijian; Gong, Wei; Han, Xing; Liu, Yan; Cui, Yong","Chiral DHIP-Based Metal-Organic Frameworks for Enantioselective Recognition and Separation.","Inorganic chemistry","2016","55","15","7229","7232","10.1021/acs.inorgchem.6b00894","","","0.71073","MoKα","","0.134","0.075","","","0.1884","0.2327","","","","","","0.982","","","","has coordinates","232661","2020-10-21","18:00:00",""
"4348029","20.693","0.003","23.662","0.003","20.977","0.003","90","","116.892","0.002","90","","9160","2","100","2","100.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C43 H35 Cl3 N10 O13 Os2 -","- C43 H35 Cl3 N10 O13 Os2 -","- C344 H280 Cl24 N80 O104 Os16 -","8","2","","Das, Ankita; Ghosh, Prabir; Priego, José Luis; Jiménez-Aparicio, Reyes; Lahiri, Goutam Kumar","Unsymmetric (μ-oxido)/(μ-pyrazolato) and Symmetric (μ-pyrazolato)2 Bridged Diosmium Frameworks: Electronic Structure and Magnetic Properties.","Inorganic chemistry","2016","55","17","8396","8406","10.1021/acs.inorgchem.6b00898","","","0.71075","MoKα","","0.0489","0.0379","","","0.0895","0.0989","","","","","","1.095","","","","has coordinates","232663","2020-10-21","18:00:00",""
"4348030","10.134","0.007","14.0076","0.001","16.941","0.012","82.37","0.03","85.35","0.03","71.88","0.02","2263","2","100","2","100.15","","","","","","","","","6","P -1","-P 1","2","","","","- C46 H38 Cl2 N12 O8 Os2 -","- C46 H38 Cl2 N12 O8 Os2 -","- C92 H76 Cl4 N24 O16 Os4 -","2","1","","Das, Ankita; Ghosh, Prabir; Priego, José Luis; Jiménez-Aparicio, Reyes; Lahiri, Goutam Kumar","Unsymmetric (μ-oxido)/(μ-pyrazolato) and Symmetric (μ-pyrazolato)2 Bridged Diosmium Frameworks: Electronic Structure and Magnetic Properties.","Inorganic chemistry","2016","55","17","8396","8406","10.1021/acs.inorgchem.6b00898","","","0.7107","MoKα","","0.0704","0.0624","","","0.146","0.1567","","","","","","1.13","","","","has coordinates","232665","2020-10-21","18:00:00",""
"4348031","37.9167","0.0011","25.2465","0.0005","41.6881","0.0012","90","","105.587","0.003","90","","38438.9","1.8","173","2","173","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","[(Mn3Mo14O56)@Ag64(C6H9)38(CF3COO)8](OH).10CH3CN.2H2O","","","- C264 H313 Ag64 F24 Mn3 Mo14 N10 O75 -","- C264 H313 Ag64 F24 Mn3 Mo14 N10 O75 -","- C1056 H1252 Ag256 F96 Mn12 Mo56 N40 O300 -","4","0.5","","Wang, Jian-Yu; Liu, Kuan-Guan; Guan, Zong-Jie; Nan, Zi-Ang; Lin, Yu-Mei; Wang, Quan-Ming","[Mn(III)Mn(IV)2Mo14O56](17-): A Mixed-Valence Meso-Polyoxometalate Anion Encapsulated by a 64-Nuclearity Silver Cluster.","Inorganic chemistry","2016","55","14","6833","6835","10.1021/acs.inorgchem.6b00901","","","0.71073","MoKα","","0.0904","0.0576","","","0.1404","0.1588","","","","","","1.118","","","","has coordinates,has disorder","232668","2020-10-21","18:00:00",""
"4348032","11.1219","0.0006","21.1832","0.0013","6.8152","0.0003","90","","118.754","0.002","90","","1407.66","0.13","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","jaa29_0ma","K[(C11H11NO4)CuCl] 2(H2O)","","- C11 H15 Cl Cu K N O6 -","- C11 H15 Cl Cu K N O6 -","- C44 H60 Cl4 Cu4 K4 N4 O24 -","4","0.5","","Axelson, Jordan C.; Gonzalez, Miguel I.; Meihaus, Katie R.; Chang, Christopher J.; Long, Jeffrey R.","Synthesis and Characterization of a Tetrapodal NO4(4-) Ligand and Its Transition Metal Complexes.","Inorganic chemistry","2016","55","15","7527","7534","10.1021/acs.inorgchem.6b00908","","","0.71073","MoKα","","0.0187","0.018","","","0.0441","0.0445","","","","","","1.098","","","","has coordinates","232671","2020-10-21","18:00:00",""
"4348033","9.1417","0.0008","26.613","0.002","17.0582","0.0014","90","","95.316","0.001","90","","4132.2","0.6","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","jaa15_0m","[(C21H29NO8)Cu(C4H8O)](SO3CF3)2","","- C27 H37 Cu F6 N O15 S2 -","- C27 H37 Cu F6 N O15 S2 -","- C108 H148 Cu4 F24 N4 O60 S8 -","4","1","","Axelson, Jordan C.; Gonzalez, Miguel I.; Meihaus, Katie R.; Chang, Christopher J.; Long, Jeffrey R.","Synthesis and Characterization of a Tetrapodal NO4(4-) Ligand and Its Transition Metal Complexes.","Inorganic chemistry","2016","55","15","7527","7534","10.1021/acs.inorgchem.6b00908","","","0.71073","MoKα","","0.0383","0.033","","","0.0795","0.0831","","","","","","1.033","","","","has coordinates","232674","2020-10-21","18:00:00",""
"4348034","7.5984","0.0016","10.346","0.002","10.831","0.007","81.81","0.003","88.158","0.004","86.912","0.003","841.3","0.6","100","2","100","2","","","","","","","","6","P -1","-P 1","2","jaa19","K2[(C13H9NO8)Zn(H2O)] 2(H2O)","","- C13 H15 K2 N O11 Zn -","- C13 H11 K2 N O11 Zn -","- C26 H22 K4 N2 O22 Zn2 -","2","1","","Axelson, Jordan C.; Gonzalez, Miguel I.; Meihaus, Katie R.; Chang, Christopher J.; Long, Jeffrey R.","Synthesis and Characterization of a Tetrapodal NO4(4-) Ligand and Its Transition Metal Complexes.","Inorganic chemistry","2016","55","15","7527","7534","10.1021/acs.inorgchem.6b00908","","","0.71073","MoKα","","0.0324","0.0307","","","0.0788","0.0802","","","","","","1.073","","","","has coordinates","232676","2020-10-21","18:00:00",""
"4348035","8.3978","0.0006","7.3031","0.0005","19.9835","0.0014","90","","90.631","0.003","90","","1225.51","0.15","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","jaa28_0m","[(C11H11NO4)Cu(H2O)] H2O","","- C11 H15 Cu N O6 -","- C11 H13 Cu N O6 -","- C44 H52 Cu4 N4 O24 -","4","1","","Axelson, Jordan C.; Gonzalez, Miguel I.; Meihaus, Katie R.; Chang, Christopher J.; Long, Jeffrey R.","Synthesis and Characterization of a Tetrapodal NO4(4-) Ligand and Its Transition Metal Complexes.","Inorganic chemistry","2016","55","15","7527","7534","10.1021/acs.inorgchem.6b00908","","","0.71073","MoKα","","0.0527","0.0381","","","0.0868","0.0945","","","","","","1.055","","","","has coordinates,has disorder","232678","2020-10-21","18:00:00",""
"4348036","7.5937","0.0004","10.352","0.0004","10.9128","0.0005","81.5","0.002","88.018","0.002","86.82","0.002","846.82","0.07","100","2","100","2","","","","","","","","6","P -1","-P 1","2","jaa24","K2[(C13H9NO8)Fe(H2O)] 2(H2O)","","- C13 H15 Fe K2 N O11 -","- C13 H11 Fe K2 N O11 -","- C26 H22 Fe2 K4 N2 O22 -","2","1","","Axelson, Jordan C.; Gonzalez, Miguel I.; Meihaus, Katie R.; Chang, Christopher J.; Long, Jeffrey R.","Synthesis and Characterization of a Tetrapodal NO4(4-) Ligand and Its Transition Metal Complexes.","Inorganic chemistry","2016","55","15","7527","7534","10.1021/acs.inorgchem.6b00908","","","0.71073","MoKα","","0.0508","0.0418","","","0.1027","0.1084","","","","","","1.042","","","","has coordinates,has disorder","232679","2020-10-21","18:00:00",""
"4348037","11.7659","0.0005","12.2288","0.0005","12.3782","0.0005","106.112","0.002","110.326","0.002","92.152","0.002","1586.67","0.12","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C26 H29 Co2 K3 N2 O22 -","- C26 H25 Co2 K3 N2 O22 -","- C52 H50 Co4 K6 N4 O44 -","2","1","","Axelson, Jordan C.; Gonzalez, Miguel I.; Meihaus, Katie R.; Chang, Christopher J.; Long, Jeffrey R.","Synthesis and Characterization of a Tetrapodal NO4(4-) Ligand and Its Transition Metal Complexes.","Inorganic chemistry","2016","55","15","7527","7534","10.1021/acs.inorgchem.6b00908","","","0.6888","synchrotron","","0.0983","0.055","","","0.1214","0.1402","","","","","","1.019","","","","has coordinates","232681","2020-10-21","18:00:00",""
"4348038","10.94","0.003","7.356","0.0018","19.736","0.005","90","","91.859","0.004","90","","1587.4","0.7","100","2","100","2","","","","","","","","6","P 1 2/n 1","-P 2yac","13","","","","- C13 H16 Li2 N Ni O11.5 -","- C13 H16 Li2 N Ni O11.5 -","- C52 H64 Li8 N4 Ni4 O46 -","4","1","","Axelson, Jordan C.; Gonzalez, Miguel I.; Meihaus, Katie R.; Chang, Christopher J.; Long, Jeffrey R.","Synthesis and Characterization of a Tetrapodal NO4(4-) Ligand and Its Transition Metal Complexes.","Inorganic chemistry","2016","55","15","7527","7534","10.1021/acs.inorgchem.6b00908","","","0.8856","synchrotron","","0.0444","0.042","","","0.1095","0.1108","","","","","","1.053","","","","has coordinates","232682","2020-10-21","18:00:00",""
"4348039","10.7371","0.0016","7.9321","0.0012","19.908","0.003","90","","100.781","0.002","90","","1665.6","0.4","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Cs2[(C13H9NO8)Ni(H2O)]","","- C13 H11 Cs2 N Ni O9 -","- C13 H11 Cs2 N Ni O9 -","- C52 H44 Cs8 N4 Ni4 O36 -","4","1","","Axelson, Jordan C.; Gonzalez, Miguel I.; Meihaus, Katie R.; Chang, Christopher J.; Long, Jeffrey R.","Synthesis and Characterization of a Tetrapodal NO4(4-) Ligand and Its Transition Metal Complexes.","Inorganic chemistry","2016","55","15","7527","7534","10.1021/acs.inorgchem.6b00908","","","0.7749","synchrotron","","0.0219","0.0207","","","0.0545","0.0555","","","","","","1.029","","","","has coordinates","232683","2020-10-21","18:00:00",""
"4348040","21.901","0.005","7.445","0.0017","13.408","0.003","90","","115.296","0.003","90","","1976.6","0.8","100","2","100","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","","K2[(C13H9NO8)Co(0.5(OCH3))] 4(H2O)","","- C13.5 H20.04 Co K2 N O13.52 -","- C13.5 H16 Co K2 N O13.52 -","- C54 H64 Co4 K8 N4 O54.08 -","4","0.5","","Axelson, Jordan C.; Gonzalez, Miguel I.; Meihaus, Katie R.; Chang, Christopher J.; Long, Jeffrey R.","Synthesis and Characterization of a Tetrapodal NO4(4-) Ligand and Its Transition Metal Complexes.","Inorganic chemistry","2016","55","15","7527","7534","10.1021/acs.inorgchem.6b00908","","x-ray","0.7749","synchrotron","","0.0714","0.0628","","","0.1626","0.1664","","","","","","1.181","","","","has coordinates,has disorder","232685","2020-10-21","18:00:00",""
"4348041","7.58","0.0002","10.34","0.0003","10.759","0.0003","82.241","0.001","88.369","0.001","87.154","0.001","834.31","0.04","100","2","100","2","","","","","","","","6","P -1","-P 1","2","jaa18_0m","K2[(C13H9NO8)Ni(H2O)] 2(H2O)","","- C13 H15 K2 N Ni O11 -","- C13 H11 K2 N Ni O11 -","- C26 H22 K4 N2 Ni2 O22 -","2","1","","Axelson, Jordan C.; Gonzalez, Miguel I.; Meihaus, Katie R.; Chang, Christopher J.; Long, Jeffrey R.","Synthesis and Characterization of a Tetrapodal NO4(4-) Ligand and Its Transition Metal Complexes.","Inorganic chemistry","2016","55","15","7527","7534","10.1021/acs.inorgchem.6b00908","","","0.71073","MoKα","","0.0306","0.029","","","0.0745","0.0754","","","","","","1.089","","","","has coordinates","232686","2020-10-21","18:00:00",""
"4348042","7.322","0.0002","10.99","0.0003","20.214","0.0006","90","","90","","90","","1626.6","0.08","100","2","100","2","","","","","","","","6","P n n a","-P 2a 2bc","52","jaa20_0m","K2[(C13H9NO8)Mn(H2O)] H2O","","- C13 H13 K2 Mn N O10 -","- C13 H13 K2 Mn N O10 -","- C52 H52 K8 Mn4 N4 O40 -","4","0.5","","Axelson, Jordan C.; Gonzalez, Miguel I.; Meihaus, Katie R.; Chang, Christopher J.; Long, Jeffrey R.","Synthesis and Characterization of a Tetrapodal NO4(4-) Ligand and Its Transition Metal Complexes.","Inorganic chemistry","2016","55","15","7527","7534","10.1021/acs.inorgchem.6b00908","","","0.71073","MoKα","","0.0333","0.0301","","","0.0786","0.0814","","","","","","1.13","","","","has coordinates","232688","2020-10-21","18:00:00",""
"4348043","7.2909","0.0016","10.357","0.002","13.365","0.003","96.831","0.003","91.503","0.003","90.596","0.003","1001.6","0.4","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","Na2[(C13H9NO8)Ni(H2O)] 6(H2O)","","- C13 H23 N Na2 Ni O15 -","- C13 H23 N Na2 Ni O15 -","- C26 H46 N2 Na4 Ni2 O30 -","2","1","","Axelson, Jordan C.; Gonzalez, Miguel I.; Meihaus, Katie R.; Chang, Christopher J.; Long, Jeffrey R.","Synthesis and Characterization of a Tetrapodal NO4(4-) Ligand and Its Transition Metal Complexes.","Inorganic chemistry","2016","55","15","7527","7534","10.1021/acs.inorgchem.6b00908","","","0.7749","synchrotron","","0.0393","0.0382","","","0.1099","0.1111","","","","","","1.086","","","","has coordinates,has disorder","232690","2020-10-21","18:00:00",""
"4348044","14.7541","0.001","23.2242","0.0017","31.783","0.002","91.799","0.005","101.041","0.004","93.168","0.005","10662.8","1.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C85 H119 N3 O33 P4 Zn -","- C85 H69 N3 O33 P4 Zn -","- C340 H276 N12 O132 P16 Zn4 -","4","2","","Axelson, Jordan C.; Gonzalez, Miguel I.; Meihaus, Katie R.; Chang, Christopher J.; Long, Jeffrey R.","Synthesis and Characterization of a Tetrapodal NO4(4-) Ligand and Its Transition Metal Complexes.","Inorganic chemistry","2016","55","15","7527","7534","10.1021/acs.inorgchem.6b00908","","","0.8856","synchrotron","","0.1708","0.1406","","","0.3514","0.3697","","","","","","1.051","","","","has coordinates,has disorder","251896","2020-10-21","18:00:00",""
"4348045","7.32","0.002","10.894","0.003","20.194","0.006","90","","90","","90","","1610.4","0.8","100","2","100","2","","","","","","","","6","P n n a","-P 2a 2bc","52","jaa22","K2[(C13H9NO8)Co(H2O)] H2O","","- C13 H13 Co K2 N O10 -","- C13 H13 Co K2 N O10 -","- C52 H52 Co4 K8 N4 O40 -","4","0.5","","Axelson, Jordan C.; Gonzalez, Miguel I.; Meihaus, Katie R.; Chang, Christopher J.; Long, Jeffrey R.","Synthesis and Characterization of a Tetrapodal NO4(4-) Ligand and Its Transition Metal Complexes.","Inorganic chemistry","2016","55","15","7527","7534","10.1021/acs.inorgchem.6b00908","","","0.71073","MoKα","","0.0335","0.0289","","","0.0732","0.0769","","","","","","1.049","","","","has coordinates","232694","2020-10-21","18:00:00",""
"4348046","12.0076","0.0005","15.2895","0.0006","29.6396","0.0012","90","","90","","90","","5441.5","0.4","90","2","90","2","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C58 H64 Cu F3 N2 O7 P2 S -","- C58 H68 Cu F3 N2 O7 P2 S -","- C232 H272 Cu4 F12 N8 O28 P8 S4 -","4","1","","Serin, Spencer C.; Pick, Fraser S.; Dake, Gregory R.; Gates, Derek P.","Copper(I) Complexes of Pyridine-Bridged Phosphaalkene-Oxazoline Pincer Ligands.","Inorganic chemistry","2016","55","13","6670","6678","10.1021/acs.inorgchem.6b00917","","x-ray","0.71073","MoKα","","0.0426","0.0328","","","0.0704","0.0735","","","","","","0.947","","","","has coordinates,has disorder","232696","2020-10-21","18:00:00",""
"4348047","19.6279","0.0013","6.5495","0.0004","12.9494","0.0009","90","","111.225","0.005","90","","1551.76","0.18","90","2","90","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C18 H18 N2 O2 -","- C18 H18 N2 O2 -","- C72 H72 N8 O8 -","4","1","","Serin, Spencer C.; Pick, Fraser S.; Dake, Gregory R.; Gates, Derek P.","Copper(I) Complexes of Pyridine-Bridged Phosphaalkene-Oxazoline Pincer Ligands.","Inorganic chemistry","2016","55","13","6670","6678","10.1021/acs.inorgchem.6b00917","","x-ray","0.71073","MoKα","","0.0449","0.0396","","","0.0999","0.1035","","","","","","1.047","","","","has coordinates","232698","2020-10-21","18:00:00",""
"4348048","11.3994","0.0011","11.7624","0.0011","12.2529","0.0012","92.416","0.002","107.396","0.002","104.977","0.002","1501.8","0.3","90","2","90","2","","","","","","","","8","P 1","P 1","1","","","","- C28.99 H30.5 Cu F3 N2.5 O4 P S -","- C28.9885 H30.5 Cu F3 N2.5 O4 P S -","- C57.977 H61 Cu2 F6 N5 O8 P2 S2 -","2","2","","Serin, Spencer C.; Pick, Fraser S.; Dake, Gregory R.; Gates, Derek P.","Copper(I) Complexes of Pyridine-Bridged Phosphaalkene-Oxazoline Pincer Ligands.","Inorganic chemistry","2016","55","13","6670","6678","10.1021/acs.inorgchem.6b00917","","x-ray","0.71073","MoKα","","0.0526","0.04","","","0.0915","0.0977","","","","","","1.043","","","","has coordinates,has disorder","232699","2020-10-21","18:00:00",""
"4348049","8.6564","0.0008","6.4176","0.0006","21.0175","0.0019","90","","99.396","0.002","90","","1151.93","0.18","90","2","90","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C27 H29 N2 O P -","- C27 H29 N2 O P -","- C54 H58 N4 O2 P2 -","2","1","","Serin, Spencer C.; Pick, Fraser S.; Dake, Gregory R.; Gates, Derek P.","Copper(I) Complexes of Pyridine-Bridged Phosphaalkene-Oxazoline Pincer Ligands.","Inorganic chemistry","2016","55","13","6670","6678","10.1021/acs.inorgchem.6b00917","","","0.71073","MoKα","","0.0561","0.0436","","","0.0908","0.0959","","","","","","1.014","","","","has coordinates","232701","2020-10-21","18:00:00",""
"4348050","9.736","0.003","13.57","0.004","13.803","0.005","68.272","0.011","81.975","0.012","75.414","0.013","1637.3","0.9","173","","173","","","","","","","","","7","P -1","-P 1","2","","","","- C22 H20 As1.83 Fe4 N O14 P1.17 -","- C22 H20 As1.827 Fe4 N O14 P1.173 -","- C44 H40 As3.654 Fe8 N2 O28 P2.346 -","2","1","","Schipper, Desmond E.; Ikhlef, Djamila; Khalal, Samila; Saillard, Jean-Yves; Whitmire, Kenton H.","New Main-Group-Element-Rich nido-Octahedral Cluster System: Synthesis and Characterization of [Et4N][Fe2(CO)6(μ3-As){μ3-EFe(CO)4}2].","Inorganic chemistry","2016","55","13","6679","6684","10.1021/acs.inorgchem.6b00921","","","0.71073","MoKα","","0.0853","0.0473","","","0.09","0.1133","","","","","","1.063","","","","has coordinates","232703","2020-10-21","18:00:00",""
"4348051","9.657","0.006","13.537","0.007","13.882","0.007","68.332","0.018","81.88","0.02","75.443","0.018","1630","1.6","173","","173","","","","","","","","","6","P -1","-P 1","2","","","","- C22 H20 As3 Fe4 N O14 -","- C22 H20 As3 Fe4 N O14 -","- C44 H40 As6 Fe8 N2 O28 -","2","1","","Schipper, Desmond E.; Ikhlef, Djamila; Khalal, Samila; Saillard, Jean-Yves; Whitmire, Kenton H.","New Main-Group-Element-Rich nido-Octahedral Cluster System: Synthesis and Characterization of [Et4N][Fe2(CO)6(μ3-As){μ3-EFe(CO)4}2].","Inorganic chemistry","2016","55","13","6679","6684","10.1021/acs.inorgchem.6b00921","","","0.71073","MoKα","","0.1424","0.0872","","","0.2304","0.2935","","","","","","1.116","","","","has coordinates","232703","2020-10-21","18:00:00",""
"4348052","31.9068","0.0005","31.9068","0.0005","31.9068","0.0005","90","","90","","90","","32482.5","0.9","293","2","293","2","","","","","","","","5","I -4 3 d","I -4bd 2c 3","220","","","","- C84 H84 Cu4 I4 P4 -","- C84 H84 Cu4 I4 P4 -","- C1344 H1344 Cu64 I64 P64 -","16","0.333333","","Yang, Kai; Li, Shi-Li; Zhang, Fu-Qiang; Zhang, Xian-Ming","Simultaneous Luminescent Thermochromism, Vapochromism, Solvatochromism, and Mechanochromism in a C3-Symmetric Cubane [Cu4I4P4] Cluster without Cu-Cu Interaction.","Inorganic chemistry","2016","55","15","7323","7325","10.1021/acs.inorgchem.6b00922","","x-ray","0.71073","MoKα","","0.0859","0.05","","","0.0791","0.0978","","","","","","1.156","","","","has coordinates","232706","2020-10-21","18:00:00",""
"4348053","31.60961","0.00019","31.60961","0.00019","31.60961","0.00019","90","","90","","90","","31583.3","0.3","100.2","0.5","100.2","0.5","","","","","","","","5","I -4 3 d","I -4bd 2c 3","220","","","","- C84 H84 Cu4 I4 P4 -","- C84 H84 Cu4 I4 P4 -","- C1344 H1344 Cu64 I64 P64 -","16","0.333333","","Yang, Kai; Li, Shi-Li; Zhang, Fu-Qiang; Zhang, Xian-Ming","Simultaneous Luminescent Thermochromism, Vapochromism, Solvatochromism, and Mechanochromism in a C3-Symmetric Cubane [Cu4I4P4] Cluster without Cu-Cu Interaction.","Inorganic chemistry","2016","55","15","7323","7325","10.1021/acs.inorgchem.6b00922","","x-ray","1.54184","CuKα","","0.0336","0.032","","","0.0816","0.0836","","","","","","1.051","","","","has coordinates","232708","2020-10-21","18:00:00",""
"4348054","21.54","0.003","10.0582","0.0011","11.1193","0.0013","90","","95.358","0.004","90","","2398.5","0.5","153","2","153","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C25 H41 N5 -","- C25 H41 N5 -","- C100 H164 N20 -","4","1","","Mandal, Soham; Wang, Can; Prajapati, Rajneesh K.; Kösters, Jutta; Verma, Sandeep; Chi, Lifeng; Müller, Jens","Metal-Mediated Assembly of 1,N(6)-Ethenoadenine: From Surfaces to DNA Duplexes.","Inorganic chemistry","2016","55","14","7041","7050","10.1021/acs.inorgchem.6b00927","","","0.71073","MoKα","","0.0617","0.0497","","","0.1385","0.1478","","","","","","1.055","","","","has coordinates","232711","2020-10-21","18:00:00",""
"4348055","11.1992","0.0004","7.8525","0.0003","18.8658","0.0006","90","","90","","90","","1659.09","0.1","173","2","173","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C9 H9 N5 -","- C9 H9 N5 -","- C72 H72 N40 -","8","1","","Mandal, Soham; Wang, Can; Prajapati, Rajneesh K.; Kösters, Jutta; Verma, Sandeep; Chi, Lifeng; Müller, Jens","Metal-Mediated Assembly of 1,N(6)-Ethenoadenine: From Surfaces to DNA Duplexes.","Inorganic chemistry","2016","55","14","7041","7050","10.1021/acs.inorgchem.6b00927","","","0.71073","MoKα","","0.0474","0.0407","","","0.106","0.1119","","","","","","1.051","","","","has coordinates","232711","2020-10-21","18:00:00",""
"4348056","5.209","0.0002","17.0597","0.0008","13.314","0.0006","90","","92.038","0.001","90","","1182.39","0.09","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C18 H18 Ag2 Cl2 N10 O8 -","- C18 H18 Ag2 Cl2 N10 O8 -","- C36 H36 Ag4 Cl4 N20 O16 -","2","0.5","","Mandal, Soham; Wang, Can; Prajapati, Rajneesh K.; Kösters, Jutta; Verma, Sandeep; Chi, Lifeng; Müller, Jens","Metal-Mediated Assembly of 1,N(6)-Ethenoadenine: From Surfaces to DNA Duplexes.","Inorganic chemistry","2016","55","14","7041","7050","10.1021/acs.inorgchem.6b00927","","","0.71073","MoKα","","0.0294","0.0234","","","0.0493","0.0513","","","","","","1.06","","","","has coordinates","232711","2020-10-21","18:00:00",""
"4348057","6.265","0.005","14.836","0.004","15.297","0.005","90","","90.498","0.005","90","","1421.8","1.3","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C22 H26 Ag2 Cl2 N10 O8 -","- C22 H26 Ag2 Cl2 N10 O8 -","- C44 H52 Ag4 Cl4 N20 O16 -","2","0.5","","Mandal, Soham; Wang, Can; Prajapati, Rajneesh K.; Kösters, Jutta; Verma, Sandeep; Chi, Lifeng; Müller, Jens","Metal-Mediated Assembly of 1,N(6)-Ethenoadenine: From Surfaces to DNA Duplexes.","Inorganic chemistry","2016","55","14","7041","7050","10.1021/acs.inorgchem.6b00927","","","0.71069","MoKα","","0.0683","0.0547","","","0.1638","0.1855","","","","","","1.309","","","","has coordinates","232711","2020-10-21","18:00:00",""
"4348058","7.3996","0.0003","8.91","0.0004","11.8127","0.0005","104.162","0.0012","103.042","0.0013","99.0491","0.0012","716.81","0.05","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H28 Cu2 N12 O14 -","- C20 H28 Cu2 N12 O14 -","- C20 H28 Cu2 N12 O14 -","1","0.5","","Mandal, Soham; Wang, Can; Prajapati, Rajneesh K.; Kösters, Jutta; Verma, Sandeep; Chi, Lifeng; Müller, Jens","Metal-Mediated Assembly of 1,N(6)-Ethenoadenine: From Surfaces to DNA Duplexes.","Inorganic chemistry","2016","55","14","7041","7050","10.1021/acs.inorgchem.6b00927","","","0.71073","MoKα","","0.0343","0.0296","","","0.0777","0.0801","","","","","","1.075","","","","has coordinates","232711","2020-10-21","18:00:00",""
"4348059","48.832","0.002","48.832","0.002","8.4834","0.0006","90","","90","","120","","17519","1.6","296","2","296","2","","","","","","","","7","R 3 c :H","R 3 -2""c","161","","","","- C17 H15 K N O12 S2 Sm -","- C14 H6 K O11 S2 Sm -","- C252 H108 K18 O198 S36 Sm18 -","18","1","","Zhou, Li-Juan; Deng, Wei-Hua; Wang, Yu-Ling; Xu, Gang; Yin, Shun-Gao; Liu, Qing-Yan","Lanthanide-Potassium Biphenyl-3,3'-disulfonyl-4,4'-dicarboxylate Frameworks: Gas Sorption, Proton Conductivity, and Luminescent Sensing of Metal Ions.","Inorganic chemistry","2016","55","12","6271","6277","10.1021/acs.inorgchem.6b00928","","x-ray","0.71073","MoKα","","0.036","0.0341","","","0.0961","0.0974","","","","","","1.009","","","","has coordinates","232715","2020-10-21","18:00:00",""
"4348060","48.7999","0.0003","48.7999","0.0003","8.4529","0.0001","90","","90","","120","","17433.1","0.3","296","2","296","2","","","","","","","","7","R 3 c :H","R 3 -2""c","161","","","","- C17 H15 Eu K N O12 S2 -","- C14 H6 Eu K O11 S2 -","- C252 H108 Eu18 K18 O198 S36 -","18","1","","Zhou, Li-Juan; Deng, Wei-Hua; Wang, Yu-Ling; Xu, Gang; Yin, Shun-Gao; Liu, Qing-Yan","Lanthanide-Potassium Biphenyl-3,3'-disulfonyl-4,4'-dicarboxylate Frameworks: Gas Sorption, Proton Conductivity, and Luminescent Sensing of Metal Ions.","Inorganic chemistry","2016","55","12","6271","6277","10.1021/acs.inorgchem.6b00928","","","0.71073","MoKα","","0.0312","0.029","","","0.079","0.0808","","","","","","1.003","","","","has coordinates","232715","2020-10-21","18:00:00",""
"4348061","48.884","0.002","48.884","0.002","8.5632","0.0006","90","","90","","120","","17721.5","1.6","296","2","296","2","","","","","","","","7","R 3 c :H","R 3 -2""c","161","","","","- C17 H15 K N O12 Pr S2 -","- C17 H6 K N O12 Pr S2 -","- C306 H108 K18 N18 O216 Pr18 S36 -","18","1","","Zhou, Li-Juan; Deng, Wei-Hua; Wang, Yu-Ling; Xu, Gang; Yin, Shun-Gao; Liu, Qing-Yan","Lanthanide-Potassium Biphenyl-3,3'-disulfonyl-4,4'-dicarboxylate Frameworks: Gas Sorption, Proton Conductivity, and Luminescent Sensing of Metal Ions.","Inorganic chemistry","2016","55","12","6271","6277","10.1021/acs.inorgchem.6b00928","","","0.71073","MoKα","","0.0358","0.0337","","","0.0912","0.0937","","","","","","1.006","","","","has coordinates","232715","2020-10-21","18:00:00",""
"4348062","11.5033","0.0013","11.7686","0.0012","13.3628","0.0014","86.074","0.004","77.548","0.004","77.848","0.003","1726.4","0.3","273","2","273","2","","","","","","","","5","P -1","-P 1","2","SCU-6","","","- C31 H29 N3 O14 U2 -","- C31 H28 N3 O14 U2 -","- C62 H56 N6 O28 U4 -","2","1","","Bai, Zhuanling; Wang, Yanlong; Li, Yuxiang; Liu, Wei; Chen, Lanhua; Sheng, Daopeng; Diwu, Juan; Chai, Zhifang; Albrecht-Schmitt, Thomas E; Wang, Shuao","First Cationic Uranyl-Organic Framework with Anion-Exchange Capabilities.","Inorganic chemistry","2016","55","13","6358","6360","10.1021/acs.inorgchem.6b00930","","","0.71073","MoKα","","0.0412","0.0339","","","0.1026","0.112","","","","","","0.804","","","","has coordinates","232717","2020-10-21","18:00:00",""
"4348063","8.3888","0.0004","13.3777","0.0006","15.5382","0.0007","69.176","0.002","77.162","0.002","88.185","0.002","1586.95","0.13","273","2","273","2","","","","","","","","5","P -1","-P 1","2","SCU-7","","","- C30 H28 N3 O10 U -","- C30 H29 N3 O10 U -","- C60 H58 N6 O20 U2 -","2","1","","Bai, Zhuanling; Wang, Yanlong; Li, Yuxiang; Liu, Wei; Chen, Lanhua; Sheng, Daopeng; Diwu, Juan; Chai, Zhifang; Albrecht-Schmitt, Thomas E; Wang, Shuao","First Cationic Uranyl-Organic Framework with Anion-Exchange Capabilities.","Inorganic chemistry","2016","55","13","6358","6360","10.1021/acs.inorgchem.6b00930","","","0.71073","MoKα","","0.1037","0.0644","","","0.1719","0.1926","","","","","","1.086","","","","has coordinates,has disorder","232717","2020-10-21","18:00:00",""
"4348064","17.146","0.003","6.119","0.0012","12.35","0.003","90","","98.79","0.03","90","","1280.5","0.5","100","2","100","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C28 H36 N6 -","- C28 H36 N6 -","- C56 H72 N12 -","2","0.5","","Hawes, Chris S.; Hamilton, Sophie E.; Hicks, Jamie; Knowles, Gregory P.; Chaffee, Alan L.; Turner, David R.; Batten, Stuart R.","Coordination Chemistry and Structural Dynamics of a Long and Flexible Piperazine-Derived Ligand.","Inorganic chemistry","2016","55","13","6692","6702","10.1021/acs.inorgchem.6b00933","","","0.7108","Synchrotron","","0.0815","0.0626","","","0.1549","0.1656","","","","","","1.085","","","","has coordinates","232720","2020-10-21","18:00:00",""
"4348065","22.074","0.004","12.515","0.003","13.367","0.003","90","","116.98","0.03","90","","3290.8","1.5","100","2","100","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C36 H40 Cd N6 O4 -","- C36 H40 Cd N6 O4 -","- C144 H160 Cd4 N24 O16 -","4","0.5","","Hawes, Chris S.; Hamilton, Sophie E.; Hicks, Jamie; Knowles, Gregory P.; Chaffee, Alan L.; Turner, David R.; Batten, Stuart R.","Coordination Chemistry and Structural Dynamics of a Long and Flexible Piperazine-Derived Ligand.","Inorganic chemistry","2016","55","13","6692","6702","10.1021/acs.inorgchem.6b00933","","","0.7109","Synchrotron","","0.0407","0.0362","","","0.09","0.0929","","","","","","1.056","","","","has coordinates","232720","2020-10-21","18:00:00",""
"4348066","9.305","0.004","10.066","0.002","18.05","0.003","96.719","0.01","92.675","0.014","104.812","0.007","1618.1","0.8","100","2","100","","","","","","","","","5","P -1","-P 1","2","","","","- C36 H40 Co N6 O4 -","- C36 H40 Co N6 O4 -","- C72 H80 Co2 N12 O8 -","2","1","","Hawes, Chris S.; Hamilton, Sophie E.; Hicks, Jamie; Knowles, Gregory P.; Chaffee, Alan L.; Turner, David R.; Batten, Stuart R.","Coordination Chemistry and Structural Dynamics of a Long and Flexible Piperazine-Derived Ligand.","Inorganic chemistry","2016","55","13","6692","6702","10.1021/acs.inorgchem.6b00933","","","0.7109","Synchrotron","","0.0613","0.0532","","","0.1353","0.1409","","","","","","1.048","","","","has coordinates","232720","2020-10-21","18:00:00",""
"4348067","9.386","0.002","9.596","0.002","11.148","0.002","74.86","0.006","85.802","0.01","65.05","0.011","878","0.3","100","2","100","","","","","","","","","7","P -1","-P 1","2","","","","- C30 H36 Ag2 F6 N6 O6 S2 -","- C30 H36 Ag2 F6 N6 O6 S2 -","- C30 H36 Ag2 F6 N6 O6 S2 -","1","0.5","","Hawes, Chris S.; Hamilton, Sophie E.; Hicks, Jamie; Knowles, Gregory P.; Chaffee, Alan L.; Turner, David R.; Batten, Stuart R.","Coordination Chemistry and Structural Dynamics of a Long and Flexible Piperazine-Derived Ligand.","Inorganic chemistry","2016","55","13","6692","6702","10.1021/acs.inorgchem.6b00933","","","0.7109","Synchrotron","","0.0487","0.0398","","","0.1005","0.1063","","","","","","1.04","","","","has coordinates","232720","2020-10-21","18:00:00",""
"4348068","12.282","0.003","22.79","0.005","13.58","0.003","90","","91.87","0.03","90","","3799.1","1.5","100","2","100","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C32 H42 Ag2 B2 F8 N8 -","- C32 H42 Ag2 B2 F8 N8 -","- C128 H168 Ag8 B8 F32 N32 -","4","0.5","","Hawes, Chris S.; Hamilton, Sophie E.; Hicks, Jamie; Knowles, Gregory P.; Chaffee, Alan L.; Turner, David R.; Batten, Stuart R.","Coordination Chemistry and Structural Dynamics of a Long and Flexible Piperazine-Derived Ligand.","Inorganic chemistry","2016","55","13","6692","6702","10.1021/acs.inorgchem.6b00933","","","0.7109","Synchrotron","","0.0585","0.0494","","","0.1293","0.1349","","","","","","1.089","","","","has coordinates,has disorder","232720","2020-10-21","18:00:00",""
"4348069","9.733","0.01","22.323","0.007","15.631","0.007","90","","93.89","0.06","90","","3388","4","100","2","100","","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C28 H40 Ag2 B2 F8 N6 O2 -","- C28 H36 Ag2 B2 F8 N6 O2.0001 -","- C112 H144 Ag8 B8 F32 N24 O8.0004 -","4","1","","Hawes, Chris S.; Hamilton, Sophie E.; Hicks, Jamie; Knowles, Gregory P.; Chaffee, Alan L.; Turner, David R.; Batten, Stuart R.","Coordination Chemistry and Structural Dynamics of a Long and Flexible Piperazine-Derived Ligand.","Inorganic chemistry","2016","55","13","6692","6702","10.1021/acs.inorgchem.6b00933","","","0.7108","Synchrotron","","0.1079","0.079","","","0.2078","0.231","","","","","","1.045","","","","has coordinates","232720","2020-10-21","18:00:00",""
"4348070","12.975","0.008","23.05","0.002","13.155","0.003","90","","91.819","0.009","90","","3932","3","100","2","100","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C30 H40 Ag2 B2 F8 N6 O -","- C30 H40 Ag2 B2 F8 N6 O -","- C120 H160 Ag8 B8 F32 N24 O4 -","4","0.5","","Hawes, Chris S.; Hamilton, Sophie E.; Hicks, Jamie; Knowles, Gregory P.; Chaffee, Alan L.; Turner, David R.; Batten, Stuart R.","Coordination Chemistry and Structural Dynamics of a Long and Flexible Piperazine-Derived Ligand.","Inorganic chemistry","2016","55","13","6692","6702","10.1021/acs.inorgchem.6b00933","","","0.7109","Synchrotron","","0.0808","0.0567","","","0.152","0.1678","","","","","","1.049","","","","has coordinates,has disorder","232720","2020-10-21","18:00:00",""
"4348071","22.261","0.003","22.261","0.003","32.92","0.007","90","","90","","90","","16314","5","293","2","293","2","","","","","","","","5","I 41","I 4bw","80","","","","- C58 H40 Cd2 N12 O8 -","- C58 H40 Cd2 N12 O8 -","- C464 H320 Cd16 N96 O64 -","8","1","","Liu, Xiao-Jing; Zhang, Ying-Hui; Chang, Ze; Li, Ai-Lin; Tian, Dan; Yao, Zhao-Quan; Jia, Yan-Yuan; Bu, Xian-He","A Water-Stable Metal-Organic Framework with a Double-Helical Structure for Fluorescent Sensing.","Inorganic chemistry","2016","55","15","7326","7328","10.1021/acs.inorgchem.6b00935","","","0.71073","MoKα","","0.0998","0.0621","","","0.1288","0.1424","","","","","","0.992","","","","has coordinates","232722","2020-10-21","18:00:00",""
"4348072","34.705","0.0009","34.705","0.0009","37.9023","0.0012","90","","90","","120","","39534.9","1.9","298","2","298","","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","","","- C102 H54 N12 O16 Zn7 -","- C102 H54 N12 O16 Zn7 -","- C1224 H648 N144 O192 Zn84 -","12","0.333333","","Gao, Wen-Yang; Tsai, Chen-Yen; Wojtas, Lukasz; Thiounn, Timmy; Lin, Chu-Chieh; Ma, Shengqian","Interpenetrating Metal-Metalloporphyrin Framework for Selective CO2 Uptake and Chemical Transformation of CO2.","Inorganic chemistry","2016","55","15","7291","7294","10.1021/acs.inorgchem.6b00937","","","1.54178","CuKα","","0.1468","0.0998","","","0.2231","0.2403","","","","","","1.015","","","","has coordinates","232723","2020-10-21","18:00:00",""
"4348073","44.3701","0.0008","10.5076","0.0002","9.3747","0.0002","90","","97.469","0.001","90","","4333.62","0.15","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","1","","","- C31 H68 Ga3 N4 O20 P4 -","- C31 H68 Ga3 N4 O20 P4 -","- C124 H272 Ga12 N16 O80 P16 -","4","0.5","","Huang, Hui-Lin; Huang, Yu-Ting; Wang, Sue-Lein","A Crystalline Mesolamellar Gallium Phosphate with Zwitterionic-type Templates Exhibiting Green Afterglow Property.","Inorganic chemistry","2016","55","14","6836","6838","10.1021/acs.inorgchem.6b00941","","","0.71073","MoKα","","0.0321","0.0262","","","0.0639","0.0666","","","","","","1.058","","","","has coordinates,has disorder","232725","2020-10-21","18:00:00",""
"4348074","5.41026","0.0002","5.79443","0.00009","10.36215","0.0003","87.4743","0.0024","78.4408","0.0026","89.2386","0.0024","317.946","0.016","298","","298","","","","","","","","","6","P -1","-P 1","2","","","","- C F3 N O3 P Zr -","- C F3 N O3 P Zr -","- C2 F6 N2 O6 P2 Zr2 -","2","1","","Taddei, Marco; Sassi, Paola; Costantino, Ferdinando; Vivani, Riccardo","Amino-Functionalized Layered Crystalline Zirconium Phosphonates: Synthesis, Crystal Structure, and Spectroscopic Characterization.","Inorganic chemistry","2016","55","12","6278","6285","10.1021/acs.inorgchem.6b00943","powder diffraction","x-ray","1.5405","Cu_Kα~1~","","","","","","","","0.08642","","4.34","","","","","","","has coordinates","232727","2020-10-21","18:00:00",""
"4348075","24.465","0.0005","7.8267","0.00017","12.30605","0.00023","90","","118.589","0.0018","90","","2069.06","0.08","298","","298","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C4 N O10 P Zr -","- C4 N O10 P Zr -","- C32 N8 O80 P8 Zr8 -","8","1","","Taddei, Marco; Sassi, Paola; Costantino, Ferdinando; Vivani, Riccardo","Amino-Functionalized Layered Crystalline Zirconium Phosphonates: Synthesis, Crystal Structure, and Spectroscopic Characterization.","Inorganic chemistry","2016","55","12","6278","6285","10.1021/acs.inorgchem.6b00943","powder diffraction","x-ray","1.5406","Cu_Kα~1~","","","","","","","","0.05552","","3.08","","","","","","","has coordinates","232727","2020-10-21","18:00:00",""
"4348076","9.3484","0.0008","5.3938","0.0004","29.5926","0.0012","90","","102.988","0.007","90","","1453.99","0.18","298","","298","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C4 Cl2 N2 O6 P2 Zr -","- C4 Cl2 N2 O6 P2 Zr -","- C16 Cl8 N8 O24 P8 Zr4 -","4","1","","Taddei, Marco; Sassi, Paola; Costantino, Ferdinando; Vivani, Riccardo","Amino-Functionalized Layered Crystalline Zirconium Phosphonates: Synthesis, Crystal Structure, and Spectroscopic Characterization.","Inorganic chemistry","2016","55","12","6278","6285","10.1021/acs.inorgchem.6b00943","powder diffraction","x-ray","1.5405","Cu_Kα~1~","","","","","","","","0.12327","","5.25","","","","","","","has coordinates","232727","2020-10-21","18:00:00",""
"4348077","17.244","0.005","10.274","0.003","27.349","0.007","90","","90","","90","","4845","2","150","2","150","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C39 H50 Cu3 N10 O18 -","- C39 H50 Cu3 N10 O18 -","- C156 H200 Cu12 N40 O72 -","4","1","","Esteves, Catarina V.; Mateus, Pedro; André, Vânia; Bandeira, Nuno A. G.; Calhorda, Maria José; Ferreira, Liliana P.; Delgado, Rita","Di- versus Trinuclear Copper(II) Cryptate for the Uptake of Dicarboxylate Anions.","Inorganic chemistry","2016","55","14","7051","7060","10.1021/acs.inorgchem.6b00945","","","0.71073","MoKα","","0.0886","0.0537","","","0.1071","0.1195","","","","","","1.024","","","","has coordinates","232729","2020-10-21","18:00:00",""
"4348078","9.8537","0.0006","17.0537","0.0011","27.5549","0.0017","90","","90","","90","","4630.4","0.5","150","2","150","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C20 H29 Cu1.5 N5 O8 -","- C20 H29 Cu1.5 N5 O8 -","- C160 H232 Cu12 N40 O64 -","8","1","","Esteves, Catarina V.; Mateus, Pedro; André, Vânia; Bandeira, Nuno A. G.; Calhorda, Maria José; Ferreira, Liliana P.; Delgado, Rita","Di- versus Trinuclear Copper(II) Cryptate for the Uptake of Dicarboxylate Anions.","Inorganic chemistry","2016","55","14","7051","7060","10.1021/acs.inorgchem.6b00945","","","0.71073","MoKα","","0.077","0.0624","","","0.1364","0.141","","","","","","1.16","","","","has coordinates","232730","2020-10-21","18:00:00",""
"4348079","10.3462","0.0007","12.8993","0.0008","14.8176","0.0009","90","","95.431","0.002","90","","1968.7","0.2","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C17 H23 Bi Fe O6 -","- C17 H23 Bi Fe O6 -","- C68 H92 Bi4 Fe4 O24 -","4","1","","Bendt, Georg; Schiwon, Rafael; Salamon, Soma; Landers, Joachim; Hagemann, Ulrich; Limberg, Christian; Wende, Heiko; Schulz, Stephan","Molecular Design for Tailoring a Single-Source Precursor for Bismuth Ferrite.","Inorganic chemistry","2016","55","15","7542","7549","10.1021/acs.inorgchem.6b00951","","","0.71073","MoKα","","0.0366","0.0229","","","0.0409","0.044","","","","","","1.019","","","","has coordinates","232732","2020-10-21","18:00:00",""
"4348080","18.2526","0.0007","6.5815","0.0002","7.6362","0.0003","90","","90","","90","","917.33","0.06","180","","180","","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C4 H9 N2 O8 Tb -","- C4 H9 N2 O8 Tb -","- C16 H36 N8 O32 Tb4 -","4","1","","Zhao, Tian-Meng; Chen, Sa; Shang, Ran; Wang, Bing-Wu; Wang, Zhe-Ming; Gao, Song","Perovskite-Like Polar Lanthanide Formate Frameworks of [NH<sub>2</sub>NH<sub>3</sub>][Ln(HCOO)<sub>4</sub>] (Ln = Tb-Lu and Y): Synthesis, Structures, Magnetism, and Anisotropic Thermal Expansion.","Inorganic chemistry","2016","55","20","10075","10082","10.1021/acs.inorgchem.6b00952","","","0.71073","MoKα","","0.0217","0.0195","","","0.0419","0.0427","","","","","","1.086","","","","has coordinates","232734","2020-10-21","18:00:00",""
"4348081","18.3618","0.0005","6.6117","0.0002","7.6222","0.0002","90","","90","","90","","925.36","0.04","290","","290","","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C4 H9 N2 O8 Tb -","- C4 H9 N2 O8 Tb -","- C16 H36 N8 O32 Tb4 -","4","1","","Zhao, Tian-Meng; Chen, Sa; Shang, Ran; Wang, Bing-Wu; Wang, Zhe-Ming; Gao, Song","Perovskite-Like Polar Lanthanide Formate Frameworks of [NH<sub>2</sub>NH<sub>3</sub>][Ln(HCOO)<sub>4</sub>] (Ln = Tb-Lu and Y): Synthesis, Structures, Magnetism, and Anisotropic Thermal Expansion.","Inorganic chemistry","2016","55","20","10075","10082","10.1021/acs.inorgchem.6b00952","","","0.71073","MoKα","","0.0175","0.0164","","","0.0343","0.0348","","","","","","1.078","","","","has coordinates","232734","2020-10-21","18:00:00",""
"4348082","18.2377","0.0005","6.5776","0.0002","7.6098","0.0002","90","","90","","90","","912.87","0.04","180","","180","","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C4 H9 Dy N2 O8 -","- C4 H9 Dy N2 O8 -","- C16 H36 Dy4 N8 O32 -","4","1","","Zhao, Tian-Meng; Chen, Sa; Shang, Ran; Wang, Bing-Wu; Wang, Zhe-Ming; Gao, Song","Perovskite-Like Polar Lanthanide Formate Frameworks of [NH<sub>2</sub>NH<sub>3</sub>][Ln(HCOO)<sub>4</sub>] (Ln = Tb-Lu and Y): Synthesis, Structures, Magnetism, and Anisotropic Thermal Expansion.","Inorganic chemistry","2016","55","20","10075","10082","10.1021/acs.inorgchem.6b00952","","","0.71073","MoKα","","0.0155","0.0148","","","0.0358","0.0363","","","","","","1.062","","","","has coordinates","232734","2020-10-21","18:00:00",""
"4348083","18.3308","0.0005","6.5959","0.0002","7.5993","0.0002","90","","90","","90","","918.82","0.04","290","","290","","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C4 H9 Dy N2 O8 -","- C4 H9 Dy N2 O8 -","- C16 H36 Dy4 N8 O32 -","4","1","","Zhao, Tian-Meng; Chen, Sa; Shang, Ran; Wang, Bing-Wu; Wang, Zhe-Ming; Gao, Song","Perovskite-Like Polar Lanthanide Formate Frameworks of [NH<sub>2</sub>NH<sub>3</sub>][Ln(HCOO)<sub>4</sub>] (Ln = Tb-Lu and Y): Synthesis, Structures, Magnetism, and Anisotropic Thermal Expansion.","Inorganic chemistry","2016","55","20","10075","10082","10.1021/acs.inorgchem.6b00952","","","0.71073","MoKα","","0.0186","0.0171","","","0.0376","0.0386","","","","","","1.072","","","","has coordinates","232734","2020-10-21","18:00:00",""
"4348084","18.2209","0.0005","6.5751","0.0002","7.585","0.0002","90","","90","","90","","908.72","0.04","180","","180","","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C4 H9 Ho N2 O8 -","- C4 H9 Ho N2 O8 -","- C16 H36 Ho4 N8 O32 -","4","1","","Zhao, Tian-Meng; Chen, Sa; Shang, Ran; Wang, Bing-Wu; Wang, Zhe-Ming; Gao, Song","Perovskite-Like Polar Lanthanide Formate Frameworks of [NH<sub>2</sub>NH<sub>3</sub>][Ln(HCOO)<sub>4</sub>] (Ln = Tb-Lu and Y): Synthesis, Structures, Magnetism, and Anisotropic Thermal Expansion.","Inorganic chemistry","2016","55","20","10075","10082","10.1021/acs.inorgchem.6b00952","","","0.71073","MoKα","","0.0196","0.0185","","","0.0411","0.0417","","","","","","1.083","","","","has coordinates","232734","2020-10-21","18:00:00",""
"4348085","18.3001","0.0006","6.5853","0.0002","7.5817","0.0002","90","","90","","90","","913.68","0.05","290","","290","","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C4 H9 Ho N2 O8 -","- C4 H9 Ho N2 O8 -","- C16 H36 Ho4 N8 O32 -","4","1","","Zhao, Tian-Meng; Chen, Sa; Shang, Ran; Wang, Bing-Wu; Wang, Zhe-Ming; Gao, Song","Perovskite-Like Polar Lanthanide Formate Frameworks of [NH<sub>2</sub>NH<sub>3</sub>][Ln(HCOO)<sub>4</sub>] (Ln = Tb-Lu and Y): Synthesis, Structures, Magnetism, and Anisotropic Thermal Expansion.","Inorganic chemistry","2016","55","20","10075","10082","10.1021/acs.inorgchem.6b00952","","","0.71073","MoKα","","0.0221","0.021","","","0.0504","0.0511","","","","","","1.099","","","","has coordinates","232734","2020-10-21","18:00:00",""
"4348086","18.1802","0.0005","6.563","0.0002","7.5566","0.0002","90","","90","","90","","901.63","0.04","180","","180","","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C4 H9 Er N2 O8 -","- C4 H9 Er N2 O8 -","- C16 H36 Er4 N8 O32 -","4","1","","Zhao, Tian-Meng; Chen, Sa; Shang, Ran; Wang, Bing-Wu; Wang, Zhe-Ming; Gao, Song","Perovskite-Like Polar Lanthanide Formate Frameworks of [NH<sub>2</sub>NH<sub>3</sub>][Ln(HCOO)<sub>4</sub>] (Ln = Tb-Lu and Y): Synthesis, Structures, Magnetism, and Anisotropic Thermal Expansion.","Inorganic chemistry","2016","55","20","10075","10082","10.1021/acs.inorgchem.6b00952","","","0.71073","MoKα","","0.0206","0.0193","","","0.0423","0.043","","","","","","1.057","","","","has coordinates","232734","2020-10-21","18:00:00",""
"4348087","18.264","0.0005","6.5656","0.0002","7.5616","0.0002","90","","90","","90","","906.74","0.04","290","","290","","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C4 H9 Er N2 O8 -","- C4 H9 Er N2 O8 -","- C16 H36 Er4 N8 O32 -","4","1","","Zhao, Tian-Meng; Chen, Sa; Shang, Ran; Wang, Bing-Wu; Wang, Zhe-Ming; Gao, Song","Perovskite-Like Polar Lanthanide Formate Frameworks of [NH<sub>2</sub>NH<sub>3</sub>][Ln(HCOO)<sub>4</sub>] (Ln = Tb-Lu and Y): Synthesis, Structures, Magnetism, and Anisotropic Thermal Expansion.","Inorganic chemistry","2016","55","20","10075","10082","10.1021/acs.inorgchem.6b00952","","","0.71073","MoKα","","0.0209","0.0202","","","0.0484","0.049","","","","","","1.071","","","","has coordinates","232734","2020-10-21","18:00:00",""
"4348088","17.9828","0.0005","6.4893","0.0002","7.6123","0.0002","90","","90","","90","","888.32","0.04","100","","100","","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C4 H9 N2 O8 Tm -","- C4 H9 N2 O8 Tm -","- C16 H36 N8 O32 Tm4 -","4","1","","Zhao, Tian-Meng; Chen, Sa; Shang, Ran; Wang, Bing-Wu; Wang, Zhe-Ming; Gao, Song","Perovskite-Like Polar Lanthanide Formate Frameworks of [NH<sub>2</sub>NH<sub>3</sub>][Ln(HCOO)<sub>4</sub>] (Ln = Tb-Lu and Y): Synthesis, Structures, Magnetism, and Anisotropic Thermal Expansion.","Inorganic chemistry","2016","55","20","10075","10082","10.1021/acs.inorgchem.6b00952","","","0.71073","MoKα","","0.0193","0.019","","","0.044","0.0442","","","","","","1.074","","","","has coordinates","232734","2020-10-21","18:00:00",""
"4348089","18.1409","0.0005","6.5415","0.0002","7.5452","0.0002","90","","90","","90","","895.38","0.04","180","","180","","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C4 H9 N2 O8 Tm -","- C4 H9 N2 O8 Tm -","- C16 H36 N8 O32 Tm4 -","4","1","","Zhao, Tian-Meng; Chen, Sa; Shang, Ran; Wang, Bing-Wu; Wang, Zhe-Ming; Gao, Song","Perovskite-Like Polar Lanthanide Formate Frameworks of [NH<sub>2</sub>NH<sub>3</sub>][Ln(HCOO)<sub>4</sub>] (Ln = Tb-Lu and Y): Synthesis, Structures, Magnetism, and Anisotropic Thermal Expansion.","Inorganic chemistry","2016","55","20","10075","10082","10.1021/acs.inorgchem.6b00952","","","0.71073","MoKα","","0.02","0.0187","","","0.0412","0.0421","","","","","","1.069","","","","has coordinates","232734","2020-10-21","18:00:00",""
"4348090","18.2293","0.0006","6.5489","0.0002","7.5428","0.0003","90","","90","","90","","900.47","0.05","290","","290","","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C4 H9 N2 O8 Tm -","- C4 H9 N2 O8 Tm -","- C16 H36 N8 O32 Tm4 -","4","1","","Zhao, Tian-Meng; Chen, Sa; Shang, Ran; Wang, Bing-Wu; Wang, Zhe-Ming; Gao, Song","Perovskite-Like Polar Lanthanide Formate Frameworks of [NH<sub>2</sub>NH<sub>3</sub>][Ln(HCOO)<sub>4</sub>] (Ln = Tb-Lu and Y): Synthesis, Structures, Magnetism, and Anisotropic Thermal Expansion.","Inorganic chemistry","2016","55","20","10075","10082","10.1021/acs.inorgchem.6b00952","","","0.71073","MoKα","","0.0285","0.0269","","","0.062","0.0642","","","","","","1.072","","","","has coordinates","232734","2020-10-21","18:00:00",""
"4348091","18.2946","0.0005","6.5596","0.0002","7.5503","0.0002","90","","90","","90","","906.08","0.04","375","","375","","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C4 H9 N2 O8 Tm -","- C4 H9 N2 O8 Tm -","- C16 H36 N8 O32 Tm4 -","4","1","","Zhao, Tian-Meng; Chen, Sa; Shang, Ran; Wang, Bing-Wu; Wang, Zhe-Ming; Gao, Song","Perovskite-Like Polar Lanthanide Formate Frameworks of [NH<sub>2</sub>NH<sub>3</sub>][Ln(HCOO)<sub>4</sub>] (Ln = Tb-Lu and Y): Synthesis, Structures, Magnetism, and Anisotropic Thermal Expansion.","Inorganic chemistry","2016","55","20","10075","10082","10.1021/acs.inorgchem.6b00952","","","0.71073","MoKα","","0.0221","0.0211","","","0.0482","0.0492","","","","","","1.07","","","","has coordinates","232734","2020-10-21","18:00:00",""
"4348092","18.1272","0.0004","6.5391","0.0002","7.5198","0.0002","90","","90","","90","","891.36","0.04","180","","180","","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C4 H9 N2 O8 Yb -","- C4 H9 N2 O8 Yb -","- C16 H36 N8 O32 Yb4 -","4","1","","Zhao, Tian-Meng; Chen, Sa; Shang, Ran; Wang, Bing-Wu; Wang, Zhe-Ming; Gao, Song","Perovskite-Like Polar Lanthanide Formate Frameworks of [NH<sub>2</sub>NH<sub>3</sub>][Ln(HCOO)<sub>4</sub>] (Ln = Tb-Lu and Y): Synthesis, Structures, Magnetism, and Anisotropic Thermal Expansion.","Inorganic chemistry","2016","55","20","10075","10082","10.1021/acs.inorgchem.6b00952","","","0.71073","MoKα","","0.0216","0.0202","","","0.0458","0.0468","","","","","","1.049","","","","has coordinates","232734","2020-10-21","18:00:00",""
"4348093","18.2137","0.0004","6.5437","0.0002","7.5326","0.0002","90","","90","","90","","897.77","0.04","290","","290","","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C4 H9 N2 O8 Yb -","- C4 H9 N2 O8 Yb -","- C16 H36 N8 O32 Yb4 -","4","1","","Zhao, Tian-Meng; Chen, Sa; Shang, Ran; Wang, Bing-Wu; Wang, Zhe-Ming; Gao, Song","Perovskite-Like Polar Lanthanide Formate Frameworks of [NH<sub>2</sub>NH<sub>3</sub>][Ln(HCOO)<sub>4</sub>] (Ln = Tb-Lu and Y): Synthesis, Structures, Magnetism, and Anisotropic Thermal Expansion.","Inorganic chemistry","2016","55","20","10075","10082","10.1021/acs.inorgchem.6b00952","","","0.71073","MoKα","","0.0188","0.0171","","","0.0375","0.0383","","","","","","1.132","","","","has coordinates","232734","2020-10-21","18:00:00",""
"4348094","18.1048","0.0005","6.5261","0.0002","7.5044","0.0002","90","","90","","90","","886.67","0.04","180","","180","","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C4 H9 Lu N2 O8 -","- C4 H9 Lu N2 O8 -","- C16 H36 Lu4 N8 O32 -","4","1","","Zhao, Tian-Meng; Chen, Sa; Shang, Ran; Wang, Bing-Wu; Wang, Zhe-Ming; Gao, Song","Perovskite-Like Polar Lanthanide Formate Frameworks of [NH<sub>2</sub>NH<sub>3</sub>][Ln(HCOO)<sub>4</sub>] (Ln = Tb-Lu and Y): Synthesis, Structures, Magnetism, and Anisotropic Thermal Expansion.","Inorganic chemistry","2016","55","20","10075","10082","10.1021/acs.inorgchem.6b00952","","","0.71073","MoKα","","0.0216","0.0199","","","0.0441","0.045","","","","","","1.055","","","","has coordinates","232734","2020-10-21","18:00:00",""
"4348095","18.1702","0.0005","6.5224","0.0002","7.5141","0.0002","90","","90","","90","","890.52","0.04","290","","290","","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C4 H9 Lu N2 O8 -","- C4 H9 Lu N2 O8 -","- C16 H36 Lu4 N8 O32 -","4","1","","Zhao, Tian-Meng; Chen, Sa; Shang, Ran; Wang, Bing-Wu; Wang, Zhe-Ming; Gao, Song","Perovskite-Like Polar Lanthanide Formate Frameworks of [NH<sub>2</sub>NH<sub>3</sub>][Ln(HCOO)<sub>4</sub>] (Ln = Tb-Lu and Y): Synthesis, Structures, Magnetism, and Anisotropic Thermal Expansion.","Inorganic chemistry","2016","55","20","10075","10082","10.1021/acs.inorgchem.6b00952","","","0.71073","MoKα","","0.0236","0.0215","","","0.0475","0.049","","","","","","1.072","","","","has coordinates","232734","2020-10-21","18:00:00",""
"4348096","18.2232","0.0005","6.579","0.0002","7.5847","0.0002","90","","90","","90","","909.33","0.04","180","","180","","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C4 H9 N2 O8 Y -","- C4 H9 N2 O8 Y -","- C16 H36 N8 O32 Y4 -","4","1","","Zhao, Tian-Meng; Chen, Sa; Shang, Ran; Wang, Bing-Wu; Wang, Zhe-Ming; Gao, Song","Perovskite-Like Polar Lanthanide Formate Frameworks of [NH<sub>2</sub>NH<sub>3</sub>][Ln(HCOO)<sub>4</sub>] (Ln = Tb-Lu and Y): Synthesis, Structures, Magnetism, and Anisotropic Thermal Expansion.","Inorganic chemistry","2016","55","20","10075","10082","10.1021/acs.inorgchem.6b00952","","","0.71073","MoKα","","0.0213","0.0189","","","0.041","0.0419","","","","","","1.065","","","","has coordinates","232734","2020-10-21","18:00:00",""
"4348097","18.2978","0.0006","6.5808","0.0002","7.584","0.0003","90","","90","","90","","913.22","0.05","290","","290","","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C4 H9 N2 O8 Y -","- C4 H9 N2 O8 Y -","- C16 H36 N8 O32 Y4 -","4","1","","Zhao, Tian-Meng; Chen, Sa; Shang, Ran; Wang, Bing-Wu; Wang, Zhe-Ming; Gao, Song","Perovskite-Like Polar Lanthanide Formate Frameworks of [NH<sub>2</sub>NH<sub>3</sub>][Ln(HCOO)<sub>4</sub>] (Ln = Tb-Lu and Y): Synthesis, Structures, Magnetism, and Anisotropic Thermal Expansion.","Inorganic chemistry","2016","55","20","10075","10082","10.1021/acs.inorgchem.6b00952","","","0.71073","MoKα","","0.022","0.0194","","","0.0426","0.0436","","","","","","1.063","","","","has coordinates","232734","2020-10-21","18:00:00",""
"4348098","10.029","0.0007","12.5614","0.0016","14.747","0.002","99.688","0.003","92.879","0.007","98.748","0.009","1804.5","0.4","130","2","130","2","","","","","","","","4","P -1","-P 1","2","","","","- C20 H12 Co N4 -","- C20 H12 Co N4 -","- C100 H60 Co5 N20 -","5","2.5","","Jentzen, Walter; Shelnutt, John A.; Scheidt, W. Robert","Metalloporphines: Dimers and Trimers.","Inorganic chemistry","2016","55","12","6294","6299","10.1021/acs.inorgchem.6b00956","","","0.71073","MoKα","","0.0504","0.0397","","","0.0955","0.1007","","","","","","1.026","","","","has coordinates","232738","2020-10-21","18:00:00",""
"4348099","10.0385","0.0005","12.5993","0.0004","14.775","0.0011","99.691","0.014","92.907","0.004","98.851","0.006","1814.47","0.19","130","2","130","2","","","","","","","","4","P -1","-P 1","2","","","","- C20 H12 Cu N4 -","- C20 H12 Cu N4 -","- C100 H60 Cu5 N20 -","5","2.5","","Jentzen, Walter; Shelnutt, John A.; Scheidt, W. Robert","Metalloporphines: Dimers and Trimers.","Inorganic chemistry","2016","55","12","6294","6299","10.1021/acs.inorgchem.6b00956","","","0.71073","MoKα","","0.1056","0.0713","","","0.1183","0.1307","","","","","","1.083","","","","has coordinates","232738","2020-10-21","18:00:00",""
"4348100","10.1497","0.0008","11.9376","0.0008","12.32","0.0008","90","","101.925","0.005","90","","1460.51","0.18","130","2","130","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","(Porphinato)platinum(II)","(Porphinato)platinum(II)","","- C20 H12 N4 Pt -","- C20 H12 N4 Pt -","- C80 H48 N16 Pt4 -","4","1","","Jentzen, Walter; Shelnutt, John A.; Scheidt, W. Robert","Metalloporphines: Dimers and Trimers.","Inorganic chemistry","2016","55","12","6294","6299","10.1021/acs.inorgchem.6b00956","","","0.71073","MoKα","","0.0411","0.0361","","","0.083","0.0854","","","","","","1.188","","","","has coordinates","232738","2020-10-21","18:00:00",""
"4348101","10.0359","0.001","12.5467","0.0008","14.8377","0.0007","99.853","0.009","93.007","0.004","97.742","0.005","1818.5","0.2","130","2","130","2","","","","","","","","4","P -1","-P 1","2","zinc(II)porphine","","","- C20 H12 N4 Zn -","- C20 H12 N4 Zn -","- C100 H60 N20 Zn5 -","5","2.5","","Jentzen, Walter; Shelnutt, John A.; Scheidt, W. Robert","Metalloporphines: Dimers and Trimers.","Inorganic chemistry","2016","55","12","6294","6299","10.1021/acs.inorgchem.6b00956","","","0.71073","MoKα","","0.0516","0.0383","","","0.0908","0.0967","","","","","","1.052","","","","has coordinates","232738","2020-10-21","18:00:00",""
"4348102","10.0391","0.0007","18.407","0.002","11.8122","0.0009","90","","94.724","0.007","90","","2175.4","0.3","130","2","130","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Zinc porphine","","","- C20 H12 N4 Zn -","- C20 H12 N4 Zn -","- C120 H72 N24 Zn6 -","6","1.5","","Jentzen, Walter; Shelnutt, John A.; Scheidt, W. Robert","Metalloporphines: Dimers and Trimers.","Inorganic chemistry","2016","55","12","6294","6299","10.1021/acs.inorgchem.6b00956","","","0.71073","MoKα","","0.0675","0.0426","","","0.0818","0.0893","","","","","","1.054","","","","has coordinates","232738","2020-10-21","18:00:00",""
"4348103","46.4518","0.0019","16.1574","0.0005","22.0011","0.0008","90","","97.903","0.004","90","","16355.9","1","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- Gd4 H164 Mn6 O194 P4 W30 -","- Gd4 Mn6 O194 P4 W30 -","- Gd16 Mn24 O776 P16 W120 -","4","0.5","","Zhu, Shu-Lan; Xu, Xuan; Ou, Sha; Zhao, Min; He, Wei-Long; Wu, Chuan-De","Assembly of a Metalloporphyrin-Polyoxometalate Hybrid Material for Highly Efficient Activation of Molecular Oxygen.","Inorganic chemistry","2016","55","15","7295","7300","10.1021/acs.inorgchem.6b00971","","","0.71073","MoKα","","0.0947","0.0735","","","0.173","0.189","","","","","","1.184","","","","has coordinates","232740","2020-10-21","18:00:00",""
"4348104","46.1852","0.0018","16.1722","0.0005","21.9613","0.0007","90","","98.088","0.005","90","","16240.1","1","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- Co6 Gd4 H158 O191 P4 W30 -","- Co6 Gd4 O191 P4 W30 -","- Co24 Gd16 O764 P16 W120 -","4","0.5","","Zhu, Shu-Lan; Xu, Xuan; Ou, Sha; Zhao, Min; He, Wei-Long; Wu, Chuan-De","Assembly of a Metalloporphyrin-Polyoxometalate Hybrid Material for Highly Efficient Activation of Molecular Oxygen.","Inorganic chemistry","2016","55","15","7295","7300","10.1021/acs.inorgchem.6b00971","","","0.71073","MoKα","","0.118","0.0885","","","0.2069","0.2226","","","","","","1.282","","","","has coordinates","232741","2020-10-21","18:00:00",""
"4348105","28.6169","0.0006","15.235","0.0004","14.538","0.0003","90","","103.953","0.002","90","","6151.2","0.2","130","0.1","130","0.1","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C27 H25 Cl6 N4 O4 Re -","- C25.5 H23 Cl1.5 N4 O4 Re -","- C204 H184 Cl12 N32 O32 Re8 -","8","1","","Hayne, David J.; White, Jonathan M.; McLean, Catriona A.; Villemagne, Victor L.; Barnham, Kevin J.; Donnelly, Paul S.","Synthesis of Oxorhenium(V) and Oxotechnetium(V) Complexes That Bind to Amyloid-β Plaques.","Inorganic chemistry","2016","55","16","7944","7953","10.1021/acs.inorgchem.6b00972","","","1.5418","CuKα","","0.0533","0.0426","","","0.1051","0.1143","","","","","","1.035","","","","has coordinates,has disorder","232743","2020-10-21","18:00:00",""
"4348106","7.5323","0.0002","18.7137","0.0004","10.371","0.0003","90","","111.091","0.003","90","","1363.94","0.07","130","0.1","130","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C15 H12 N3 O4 Re -","- C15 H12 N3 O4 Re -","- C60 H48 N12 O16 Re4 -","4","1","","Hayne, David J.; White, Jonathan M.; McLean, Catriona A.; Villemagne, Victor L.; Barnham, Kevin J.; Donnelly, Paul S.","Synthesis of Oxorhenium(V) and Oxotechnetium(V) Complexes That Bind to Amyloid-β Plaques.","Inorganic chemistry","2016","55","16","7944","7953","10.1021/acs.inorgchem.6b00972","","","0.7107","MoKα","","0.0297","0.0244","","","0.0527","0.055","","","","","","1.075","","","","has coordinates","232744","2020-10-21","18:00:00",""
"4348107","12.4901","0.0004","8.0225","0.0004","13.8963","0.0004","90","","100.626","0.003","90","","1368.56","0.09","130","0.1","130","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H14 N3 O3 Re -","- C15 H14 N3 O3 Re -","- C60 H56 N12 O12 Re4 -","4","1","","Hayne, David J.; White, Jonathan M.; McLean, Catriona A.; Villemagne, Victor L.; Barnham, Kevin J.; Donnelly, Paul S.","Synthesis of Oxorhenium(V) and Oxotechnetium(V) Complexes That Bind to Amyloid-β Plaques.","Inorganic chemistry","2016","55","16","7944","7953","10.1021/acs.inorgchem.6b00972","","","0.7107","MoKα","","0.0344","0.0272","","","0.0558","0.059","","","","","","1.059","","","","has coordinates","232746","2020-10-21","18:00:00",""
"4348108","14.5614","0.0004","14.5614","0.0004","14.5614","0.0004","90","","90","","90","","3087.52","0.15","296","2","296","2","","","","","","","","5","F m -3 m","-F 4 2 3","225","","","","- C12 H24 Ag8 I8 N8 -","- C12 H24 Ag8 I8 N8 -","- C48 H96 Ag32 I32 N32 -","4","0.0208333","","Zhang, Ren-Chun; Wang, Jun-Jie; Zhang, Jing-Chao; Wang, Meng-Qi; Sun, Min; Ding, Feng; Zhang, Dao-Jun; An, Yong-Lin","Coordination-Induced Syntheses of Two Hybrid Framework Iodides: A Thermochromic Luminescent Thermometer.","Inorganic chemistry","2016","55","15","7556","7563","10.1021/acs.inorgchem.6b00973","","","0.71073","MoKα","","0.0873","0.0855","","","0.256","0.269","","","","","","1.043","","","","has coordinates","232748","2020-10-21","18:00:00",""
"4348109","14.5022","0.0001","14.5022","0.0001","14.5022","0.0001","90","","90","","90","","3050.01","0.04","296","2","296","2","","","","","","","","5","F m -3 m","-F 4 2 3","225","","","","- C24 H48 Ag16 I12 N16 -","- C24 H48 Ag16 I12 N16 -","- C48 H96 Ag32 I24 N32 -","2","0.0104167","","Zhang, Ren-Chun; Wang, Jun-Jie; Zhang, Jing-Chao; Wang, Meng-Qi; Sun, Min; Ding, Feng; Zhang, Dao-Jun; An, Yong-Lin","Coordination-Induced Syntheses of Two Hybrid Framework Iodides: A Thermochromic Luminescent Thermometer.","Inorganic chemistry","2016","55","15","7556","7563","10.1021/acs.inorgchem.6b00973","","","0.71073","MoKα","","0.0593","0.0549","","","0.15865","0.17632","","","","","","1.009","","","","has coordinates","232749","2020-10-21","18:00:00",""
"4348110","13.2321","0.0005","13.2321","0.0005","13.2321","0.0005","90","","90","","90","","2316.79","0.15","296","2","296","2","","","","","","","","5","F -4 3 m","F -4 2 3","216","","","","- C12 H24 Ag4 I4 N8 -","- C12 H24 Ag4 I4 N8 -","- C48 H96 Ag16 I16 N32 -","4","0.0416667","","Zhang, Ren-Chun; Wang, Jun-Jie; Zhang, Jing-Chao; Wang, Meng-Qi; Sun, Min; Ding, Feng; Zhang, Dao-Jun; An, Yong-Lin","Coordination-Induced Syntheses of Two Hybrid Framework Iodides: A Thermochromic Luminescent Thermometer.","Inorganic chemistry","2016","55","15","7556","7563","10.1021/acs.inorgchem.6b00973","","","0.71073","MoKα","","0.009","0.009","","","0.0263","0.0263","","","","","","1.02","","","","has coordinates","232751","2020-10-21","18:00:00",""
"4348111","13.2527","0.0004","13.2527","0.0004","13.2527","0.0004","90","","90","","90","","2327.63","0.12","296","2","296","2","","","","","","","","5","F -4 3 m","F -4 2 3","216","","","","- C12 H24 Ag4 I4 N8 -","- C12 H24 Ag4 I4 N8 -","- C48 H96 Ag16 I16 N32 -","4","0.0416667","","Zhang, Ren-Chun; Wang, Jun-Jie; Zhang, Jing-Chao; Wang, Meng-Qi; Sun, Min; Ding, Feng; Zhang, Dao-Jun; An, Yong-Lin","Coordination-Induced Syntheses of Two Hybrid Framework Iodides: A Thermochromic Luminescent Thermometer.","Inorganic chemistry","2016","55","15","7556","7563","10.1021/acs.inorgchem.6b00973","","","0.71073","MoKα","","0.0092","0.0092","","","0.025","0.025","","","","","","1.047","","","","has coordinates","232752","2020-10-21","18:00:00",""
"4348112","13.2935","0.0001","13.2935","0.0001","13.2935","0.0001","90","","90","","90","","2349.19","0.03","296","2","296","2","","","","","","","","5","F -4 3 m","F -4 2 3","216","","","","- C12 H24 Ag4 I4 N8 -","- C12 H24 Ag4 I4 N8 -","- C48 H96 Ag16 I16 N32 -","4","0.0416667","","Zhang, Ren-Chun; Wang, Jun-Jie; Zhang, Jing-Chao; Wang, Meng-Qi; Sun, Min; Ding, Feng; Zhang, Dao-Jun; An, Yong-Lin","Coordination-Induced Syntheses of Two Hybrid Framework Iodides: A Thermochromic Luminescent Thermometer.","Inorganic chemistry","2016","55","15","7556","7563","10.1021/acs.inorgchem.6b00973","","","0.71073","MoKα","","0.0097","0.0097","","","0.0254","0.0254","","","","","","1.059","","","","has coordinates","232754","2020-10-21","18:00:00",""
"4348113","12.3866","0.001","27.373","0.002","18.5603","0.0016","90","","90","","90","","6293","0.9","150","2","150","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C66 H48 N11 O6 Zn2 -","- C66 H48 N11 O6 Zn2 -","- C264 H192 N44 O24 Zn8 -","4","0.5","","Hua, Carol; Baldansuren, Amgalanbaatar; Tuna, Floriana; Collison, David; D'Alessandro, Deanna M","In Situ Spectroelectrochemical Investigations of the Redox-Active Tris[4-(pyridin-4-yl)phenyl]amine Ligand and a Zn(2+) Coordination Framework.","Inorganic chemistry","2016","55","15","7270","7280","10.1021/acs.inorgchem.6b00981","","","0.71073","MoKα","","0.1054","0.0859","","","0.2522","0.2625","","","","","","1.081","","","","has coordinates","232755","2020-10-21","18:00:00",""
"4348114","12.3866","0.001","27.373","0.002","18.5603","0.0016","90","","90","","90","","6293","0.9","150","2","150","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C69 H48 N11 O9 Zn2 -","- C69 H48 N11 O9 Zn2 -","- C276 H192 N44 O36 Zn8 -","4","0.5","","Hua, Carol; Baldansuren, Amgalanbaatar; Tuna, Floriana; Collison, David; D'Alessandro, Deanna M","In Situ Spectroelectrochemical Investigations of the Redox-Active Tris[4-(pyridin-4-yl)phenyl]amine Ligand and a Zn(2+) Coordination Framework.","Inorganic chemistry","2016","55","15","7270","7280","10.1021/acs.inorgchem.6b00981","","","0.71073","MoKα","","0.1228","0.0983","","","0.2952","0.3161","","","","","","1.051","","","","has coordinates","232756","2020-10-21","18:00:00",""
"4348115","12.3866","0.001","27.373","0.002","18.5603","0.0016","90","","90","","90","","6293","0.9","150","2","150","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C140 H96 N22 O19 Zn4 -","- C140 H96 N22 O19 Zn4 -","- C280 H192 N44 O38 Zn8 -","2","0.25","","Hua, Carol; Baldansuren, Amgalanbaatar; Tuna, Floriana; Collison, David; D'Alessandro, Deanna M","In Situ Spectroelectrochemical Investigations of the Redox-Active Tris[4-(pyridin-4-yl)phenyl]amine Ligand and a Zn(2+) Coordination Framework.","Inorganic chemistry","2016","55","15","7270","7280","10.1021/acs.inorgchem.6b00981","","","0.71073","MoKα","","0.0944","0.0737","","","0.2147","0.2293","","","","","","1.078","","","","has coordinates","232758","2020-10-21","18:00:00",""
"4348116","13.102","0.002","13.102","0.002","49.573","0.016","90","","90","","120","","7370","3","173.15","","173.15","","","","","","","","","4","R -3 c :H","-R 3 2""c","167","","","","- C33 I3 O11 Ti3 -","- C33.0002 I3 O11 Ti3 -","- C198.001 I18 O66 Ti18 -","6","0.166667","","Hou, Jie; Hu, Junyi; Sun, Qing; Zhang, Guanyun; Tung, Chen-Ho; Wang, Yifeng","A Post-Functionalizable Iso-Polyoxotitanate Cage Cluster.","Inorganic chemistry","2016","55","14","7075","7078","10.1021/acs.inorgchem.6b00982","","","0.71073","MoKα","","0.1395","0.1035","","","0.3112","0.3512","","","","","","1.078","","","","has coordinates","232762","2020-10-21","18:00:00",""
"4348117","19.322","0.007","26.242","0.01","31.425","0.012","95.039","0.004","90.2","0.004","107.814","0.004","15104","10","173","2","173.15","","","","","","","","","5","P -1","-P 1","2","","","","- C176 H360 I8 O112 Ti44 -","- C176 H360 I7.9999 O112 Ti44 -","- C352 H720 I15.9998 O224 Ti88 -","2","1","","Hou, Jie; Hu, Junyi; Sun, Qing; Zhang, Guanyun; Tung, Chen-Ho; Wang, Yifeng","A Post-Functionalizable Iso-Polyoxotitanate Cage Cluster.","Inorganic chemistry","2016","55","14","7075","7078","10.1021/acs.inorgchem.6b00982","","","0.71073","MoKα","","0.2647","0.1486","","","0.3372","0.4092","","","","","","1.072","","","","has coordinates,has disorder","232763","2020-10-21","18:00:00",""
"4348118","15.0141","0.0014","51.767","0.005","38.161","0.004","90","","97.72","0.001","90","","29391","5","173.15","","173.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C162 H378 I18 O96 Ti36 -","- C162 H378 I18 O96 Ti36 -","- C648 H1512 I72 O384 Ti144 -","4","1","","Hou, Jie; Hu, Junyi; Sun, Qing; Zhang, Guanyun; Tung, Chen-Ho; Wang, Yifeng","A Post-Functionalizable Iso-Polyoxotitanate Cage Cluster.","Inorganic chemistry","2016","55","14","7075","7078","10.1021/acs.inorgchem.6b00982","","","0.71073","MoKα","","0.2447","0.0971","","","0.2064","0.2687","","","","","","1.024","","","","has coordinates,has disorder","232765","2020-10-21","18:00:00",""
"4348119","28.2087","0.0007","17.5165","0.0005","27.5141","0.0007","90","","100.61","0.001","90","","13362.8","0.6","173","2","173.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C69 H161 I4 O55 Ti22 -","- C69 H161 I4 O55 Ti22 -","- C276 H644 I16 O220 Ti88 -","4","1","","Hou, Jie; Hu, Junyi; Sun, Qing; Zhang, Guanyun; Tung, Chen-Ho; Wang, Yifeng","A Post-Functionalizable Iso-Polyoxotitanate Cage Cluster.","Inorganic chemistry","2016","55","14","7075","7078","10.1021/acs.inorgchem.6b00982","","","0.71073","MoKα","","0.0845","0.0576","","","0.1463","0.1634","","","","","","1.058","","","","has coordinates,has disorder","232766","2020-10-21","18:00:00",""
"4348120","18.3241","0.001","30.6429","0.0018","30.9343","0.0018","90","","95.403","0.003","90","","17292.5","1.7","173.15","","173.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C102 H217 I4.05 O69 Ti22 -","- C102 H217 I4.05 O69 Ti22 -","- C408 H868 I16.2 O276 Ti88 -","4","1","","Hou, Jie; Hu, Junyi; Sun, Qing; Zhang, Guanyun; Tung, Chen-Ho; Wang, Yifeng","A Post-Functionalizable Iso-Polyoxotitanate Cage Cluster.","Inorganic chemistry","2016","55","14","7075","7078","10.1021/acs.inorgchem.6b00982","","","0.71073","MoKα","","0.161","0.0852","","","0.186","0.232","","","","","","1.114","","","","has coordinates,has disorder","232768","2020-10-21","18:00:00",""
"4348121","8.5172","0.0009","12.7393","0.0014","13.2237","0.0015","79.896","0.006","78.303","0.006","70.711","0.005","1317","0.3","123","","123","","","","","","","","","5","P -1","-P 1","2","","","","- C34 H25 B N6 O -","- C34 H25 B N6 O -","- C68 H50 B2 N12 O2 -","2","1","","Rhoda, Hannah M.; Kayser, Mathew P.; Wang, Yefeng; Nazarenko, Alexander Y.; Belosludov, Rodion V.; Kiprof, Paul; Blank, David A.; Nemykin, Victor N.","Tuning Up an Electronic Structure of the Subphthalocyanine Derivatives toward Electron-Transfer Process in Noncovalent Complexes with C<sub>60</sub> and C<sub>70</sub> Fullerenes: Experimental and Theoretical Studies.","Inorganic chemistry","2016","55","19","9549","9563","10.1021/acs.inorgchem.6b00992","","","0.71075","MoKα","","0.1862","0.0881","","0.2405","0.1467","0.2405","","","","","","1.0084","","","","has coordinates","232770","2020-10-21","18:00:00",""
"4348122","21.6424","0.0007","21.6424","0.0007","19.4859","0.0013","90","","90","","120","","7904.3","0.6","123","","123","","","","","","","","","6","R -3 :H","-R 3","148","","","","- C60 H36 B Cl N6 S6 -","- C60 H36 B Cl N6 S6 -","- C360 H216 B6 Cl6 N36 S36 -","6","0.333333","","Rhoda, Hannah M.; Kayser, Mathew P.; Wang, Yefeng; Nazarenko, Alexander Y.; Belosludov, Rodion V.; Kiprof, Paul; Blank, David A.; Nemykin, Victor N.","Tuning Up an Electronic Structure of the Subphthalocyanine Derivatives toward Electron-Transfer Process in Noncovalent Complexes with C<sub>60</sub> and C<sub>70</sub> Fullerenes: Experimental and Theoretical Studies.","Inorganic chemistry","2016","55","19","9549","9563","10.1021/acs.inorgchem.6b00992","","","1.5418","CuKα","","0.1218","0.0695","","0.169","0.1207","0.169","","","","","","0.9016","","","","has coordinates","232770","2020-10-21","18:00:00",""
"4348123","10.1957","0.0009","10.8063","0.0011","18.5286","0.0017","93.997","0.005","99.768","0.005","102.005","0.006","1956.1","0.3","123","","123","","","","","","","","","3","P -1","-P 1","2","","","","- C72 H8 Cl4 -","- C72 H8 Cl4 -","- C144 H16 Cl8 -","2","1","","Rhoda, Hannah M.; Kayser, Mathew P.; Wang, Yefeng; Nazarenko, Alexander Y.; Belosludov, Rodion V.; Kiprof, Paul; Blank, David A.; Nemykin, Victor N.","Tuning Up an Electronic Structure of the Subphthalocyanine Derivatives toward Electron-Transfer Process in Noncovalent Complexes with C<sub>60</sub> and C<sub>70</sub> Fullerenes: Experimental and Theoretical Studies.","Inorganic chemistry","2016","55","19","9549","9563","10.1021/acs.inorgchem.6b00992","","","1.54187","CuKα","","0.0855","0.0717","","0.1375","0.1289","0.1375","","","","","","0.9972","","","","has coordinates","232770","2020-10-21","18:00:00",""
"4348124","25.56","0.007","25.56","0.007","39.513","0.005","90","","90","","120","","22356","9","123","","123","","","","","","","","","6","P 63/m","-P 6c","176","","","","- C852 H72 B2 Cl2 N12 S12 -","- C851.536 H72 B2 Cl2 N12 S12 -","- C1703.07 H144 B4 Cl4 N24 S24 -","2","0.166667","","Rhoda, Hannah M.; Kayser, Mathew P.; Wang, Yefeng; Nazarenko, Alexander Y.; Belosludov, Rodion V.; Kiprof, Paul; Blank, David A.; Nemykin, Victor N.","Tuning Up an Electronic Structure of the Subphthalocyanine Derivatives toward Electron-Transfer Process in Noncovalent Complexes with C<sub>60</sub> and C<sub>70</sub> Fullerenes: Experimental and Theoretical Studies.","Inorganic chemistry","2016","55","19","9549","9563","10.1021/acs.inorgchem.6b00992","","","0.71073","MoKα","","0.2626","0.199","","","0.5096","0.548","","","","","","2.035","","","","has coordinates,has disorder","232770","2020-10-21","18:00:00",""
"4348125","10.0013","0.001","4.6768","0.0004","18.6577","0.0018","90","","97.196","0.003","90","","865.82","0.14","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C6 H9 Ag I N2 -","- C6 H9 Ag I N2 -","- C24 H36 Ag4 I4 N8 -","4","1","","Yang, Dandan; Xu, Wenlong; Cao, Xiaowei; Zheng, Shaojun; He, Jiangang; Ju, Qiang; Fang, Zhenlan; Huang, Wei","Two Silver Coordination Network Compounds with Colorful Photoluminescence.","Inorganic chemistry","2016","55","16","7954","7961","10.1021/acs.inorgchem.6b00999","","","0.71073","MoKα","","0.0382","0.0342","","","0.087","0.0898","","","","","","1.077","","","","has coordinates","232772","2020-10-21","18:00:00",""
"4348126","9.9232","0.0007","4.6498","0.0003","18.4152","0.0012","90","","96.797","0.002","90","","843.72","0.1","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C6 H9 Ag I N2 -","- C6 H9 Ag I N2 -","- C24 H36 Ag4 I4 N8 -","4","1","","Yang, Dandan; Xu, Wenlong; Cao, Xiaowei; Zheng, Shaojun; He, Jiangang; Ju, Qiang; Fang, Zhenlan; Huang, Wei","Two Silver Coordination Network Compounds with Colorful Photoluminescence.","Inorganic chemistry","2016","55","16","7954","7961","10.1021/acs.inorgchem.6b00999","","","0.71073","MoKα","","0.0351","0.0337","","","0.1087","0.1105","","","","","","1.003","","","","has coordinates","232773","2020-10-21","18:00:00",""
"4348127","9.6289","0.0014","4.5658","0.0007","17.937","0.003","90","","93.883","0.003","90","","786.8","0.2","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C6 H9 Ag Br N2 -","- C6 H9 Ag Br N2 -","- C24 H36 Ag4 Br4 N8 -","4","1","","Yang, Dandan; Xu, Wenlong; Cao, Xiaowei; Zheng, Shaojun; He, Jiangang; Ju, Qiang; Fang, Zhenlan; Huang, Wei","Two Silver Coordination Network Compounds with Colorful Photoluminescence.","Inorganic chemistry","2016","55","16","7954","7961","10.1021/acs.inorgchem.6b00999","","","0.71073","MoKα","","0.0332","0.0253","","","0.0556","0.0585","","","","","","1.047","","","","has coordinates","232775","2020-10-21","18:00:00",""
"4348128","9.726","0.004","4.6186","0.0018","18.288","0.007","90","","94.679","0.009","90","","818.8","0.6","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C6 H9 Ag Br N2 -","- C6 H9 Ag Br N2 -","- C24 H36 Ag4 Br4 N8 -","4","1","","Yang, Dandan; Xu, Wenlong; Cao, Xiaowei; Zheng, Shaojun; He, Jiangang; Ju, Qiang; Fang, Zhenlan; Huang, Wei","Two Silver Coordination Network Compounds with Colorful Photoluminescence.","Inorganic chemistry","2016","55","16","7954","7961","10.1021/acs.inorgchem.6b00999","","","0.71073","MoKα","","0.0557","0.0372","","","0.0841","0.093","","","","","","1.025","","","","has coordinates","232776","2020-10-21","18:00:00",""
"4348129","10.0073","0.0019","15.0465","0.0018","13.023","0.002","90","","91.581","0.015","90","","1960.2","0.5","200","2","200","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","oxovandium {(Z)-N-((E)-1-(2-oxidonaphthalen-1-yl)ethylidene)benzohydrazonate} ethanoate","","- C21 H19 N2 O4 V -","- C21 H19 N2 O4 V -","- C84 H76 N8 O16 V4 -","4","1","","Dash, Subhashree P.; Roy, Satabdi; Mohanty, Monalisa; Carvalho, M Fernanda N N; Kuznetsov, Maxim L.; Pessoa, João Costa; Kumar, Amit; Patil, Yogesh P.; Crochet, Aurélien; Dinda, Rupam","Versatile Reactivity and Theoretical Evaluation of Mono- and Dinuclear Oxidovanadium(V) Compounds of Aroylazines: Electrogeneration of Mixed-Valence Divanadium(IV,V) Complexes.","Inorganic chemistry","2016","55","17","8407","8421","10.1021/acs.inorgchem.6b01001","","x-ray","0.71073","MoKα","","0.0512","0.0382","","","0.1034","0.1091","","","","","","1.043","","","","has coordinates","232777","2020-10-21","18:00:00",""
"4348130","7.5992","0.0007","12.7639","0.0011","19.5684","0.0017","90","","90.373","0.002","90","","1898","0.3","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","oxovanadium (Z)-2-amino-N-((E)-(2-oxidonaphthalen-1-yl)methylene)benzohydrazonate ethanoate","","- C20 H18 N3 O4 V -","- C20 H18 N3 O4 V -","- C80 H72 N12 O16 V4 -","4","1","","Dash, Subhashree P.; Roy, Satabdi; Mohanty, Monalisa; Carvalho, M Fernanda N N; Kuznetsov, Maxim L.; Pessoa, João Costa; Kumar, Amit; Patil, Yogesh P.; Crochet, Aurélien; Dinda, Rupam","Versatile Reactivity and Theoretical Evaluation of Mono- and Dinuclear Oxidovanadium(V) Compounds of Aroylazines: Electrogeneration of Mixed-Valence Divanadium(IV,V) Complexes.","Inorganic chemistry","2016","55","17","8407","8421","10.1021/acs.inorgchem.6b01001","","","0.71073","MoKα","","0.1668","0.0939","","","0.2142","0.2584","","","","","","1.045","","","","has coordinates","232778","2020-10-21","18:00:00",""
"4348131","10.305","0.002","10.502","0.002","18.603","0.003","90","","92.716","0.016","90","","2011","0.6","200","2","200","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C21 H20 N3 O4 V -","- C21 H20 N3 O4 V -","- C84 H80 N12 O16 V4 -","4","1","","Dash, Subhashree P.; Roy, Satabdi; Mohanty, Monalisa; Carvalho, M Fernanda N N; Kuznetsov, Maxim L.; Pessoa, João Costa; Kumar, Amit; Patil, Yogesh P.; Crochet, Aurélien; Dinda, Rupam","Versatile Reactivity and Theoretical Evaluation of Mono- and Dinuclear Oxidovanadium(V) Compounds of Aroylazines: Electrogeneration of Mixed-Valence Divanadium(IV,V) Complexes.","Inorganic chemistry","2016","55","17","8407","8421","10.1021/acs.inorgchem.6b01001","","x-ray","0.71073","MoKα","","0.1224","0.0497","","","0.1164","0.1521","","","","","","0.92","","","","has coordinates","232780","2020-10-21","18:00:00",""
"4348132","20.76973","0.00031","20.76973","","20.76973","","90","","90","","90","","8959.68","0.13","298","1","298","1","","","","","","","","4","F m -3 m","-F 4 2 3","225","","","","- C24 N3 O16 Zr3 -","- C24 N3 O16 Zr3 -","- C192 N24 O128 Zr24 -","8","0.0416667","","Banerjee, Debasis; Xu, Wenqian; Nie, Zimin; Johnson, Lewis E. V.; Coghlan, Campbell; Sushko, Maria L.; Kim, Dongsang; Schweiger, Michael J.; Kruger, Albert A.; Doonan, Christian J.; Thallapally, Praveen K.","Zirconium-Based Metal-Organic Framework for Removal of Perrhenate from Water.","Inorganic chemistry","2016","55","17","8241","8243","10.1021/acs.inorgchem.6b01004","powder diffraction","","0.72768","Synchrotron","","","","","","","","","","5.25","","","","","","","has coordinates","232781","2020-10-21","18:00:00",""
"4348133","20.782","0.0009","20.782","","20.782","","90","","90","","90","","8975.6","0.4","298","1","298","1","","","","","","","","5","F m -3 m","-F 4 2 3","225","","","","- C24 N3 O16 Re0.4 Zr3 -","- C24 N3 O16 Re0.4 Zr3 -","- C192 N24 O128 Re3.2 Zr24 -","8","0.0416667","","Banerjee, Debasis; Xu, Wenqian; Nie, Zimin; Johnson, Lewis E. V.; Coghlan, Campbell; Sushko, Maria L.; Kim, Dongsang; Schweiger, Michael J.; Kruger, Albert A.; Doonan, Christian J.; Thallapally, Praveen K.","Zirconium-Based Metal-Organic Framework for Removal of Perrhenate from Water.","Inorganic chemistry","2016","55","17","8241","8243","10.1021/acs.inorgchem.6b01004","powder diffraction","","0.72768","Synchrotron","","","","","","","","","","14.17","","","","","","","has coordinates","232782","2020-10-21","18:00:00",""
"4348134","13.2873","0.0007","15.6841","0.0008","23.4478","0.0013","89.565","0.001","74.32","0.001","83.072","0.001","4668.7","0.4","100","2","100","2","","","","","","","","7","P 1","P 1","1","","","","- C72 H239 La N24 O97 Pd12 S24 -","- C72 H141 La N24 O48 Pd12 S24 -","- C72 H141 La N24 O48 Pd12 S24 -","1","1","","Lin, Zheng-Guo; Fan, Lin-Yuan; Kondinski, Aleksandar; Vankova, Nina; Heine, Thomas; Chen, Bao-Kuan; Haider, Ali; Wang, Bo; Kortz, Ulrich; Hu, Chang-Wen","Chiral Dodecanuclear Palladium(II) Thio Cluster: Synthesis, Structure, and Formation Mechanism Explored by ESI-MS and DFT Calculations.","Inorganic chemistry","2016","55","16","7811","7813","10.1021/acs.inorgchem.6b01005","","","0.71073","MoKα","","0.0919","0.0835","","","0.2474","0.2671","","","","","","1.073","","","","has coordinates","232783","2020-10-21","18:00:00",""
"4348135","11.152","0.0002","11.152","0.0002","26.483","0.0004","90","","90","","120","","2852.35","0.08","100","2","100","2","","","","","","","","5","P 65","P 65","170","","","","- C18 H13 Er N4 O9 -","- C18 H13 Er N4 O9 -","- C108 H78 Er6 N24 O54 -","6","1","","Mihalcea, Ionut; Perfetti, Mauro; Pineider, Francesco; Tesi, Lorenzo; Mereacre, Valeriu; Wilhelm, Fabrice; Rogalev, Andrei; Anson, Christopher E.; Powell, Annie K.; Sessoli, Roberta","Spin Helicity in Chiral Lanthanide Chains.","Inorganic chemistry","2016","55","20","10068","10074","10.1021/acs.inorgchem.6b01010","","","1.54184","Cu-Kα","","0.0181","0.0179","","","0.0434","0.0435","","","","","","1.062","","","","has coordinates","232784","2020-10-21","18:00:00",""
"4348136","11.1664","0.0003","11.1664","0.0003","26.5948","0.0018","90","","90","","120","","2871.8","0.2","100","2","100","2","","","","","","","","6","P 65","P 65","170","","","","- C18 H13 Dy0.12 N4 O9 Y0.88 -","- C18 H13 Dy0.12 N4 O9 Y0.88 -","- C108 H78 Dy0.72 N24 O54 Y5.28 -","6","1","","Mihalcea, Ionut; Perfetti, Mauro; Pineider, Francesco; Tesi, Lorenzo; Mereacre, Valeriu; Wilhelm, Fabrice; Rogalev, Andrei; Anson, Christopher E.; Powell, Annie K.; Sessoli, Roberta","Spin Helicity in Chiral Lanthanide Chains.","Inorganic chemistry","2016","55","20","10068","10074","10.1021/acs.inorgchem.6b01010","","","0.71073","MoKα","","0.0218","0.0207","","","0.0482","0.0486","","","","","","1.039","","","","has coordinates,has disorder","232786","2020-10-21","18:00:00",""
"4348137","9.2721","0.0002","14.5422","0.0002","18.1279","0.0003","66.678","0.002","88.415","0.002","87.74","0.002","2242.65","0.08","100","1","100","1","","","","","","","","5","P -1","-P 1","2","","","","- C78 H132 N8 O20 V4 -","- C78 H132 N8 O20 V4 -","- C78 H132 N8 O20 V4 -","1","0.5","","Dragancea, Diana; Talmaci, Natalia; Shova, Sergiu; Novitchi, Ghenadie; Darvasiová, Denisa; Rapta, Peter; Breza, Martin; Galanski, Markus; Kož\?íšek, Jozef; Martins, Nuno M. R.; Martins, Luísa M D R S; Pombeiro, Armando J. L.; Arion, Vladimir B.","Vanadium(V) Complexes with Substituted 1,5-bis(2-hydroxybenzaldehyde)carbohydrazones and Their Use As Catalyst Precursors in Oxidation of Cyclohexane.","Inorganic chemistry","2016","55","18","9187","9203","10.1021/acs.inorgchem.6b01011","","","1.54186","CuKα","","0.0591","0.0546","","","0.1537","0.1576","","","","","","1.093","","","","has coordinates,has disorder","232787","2020-10-21","18:00:00",""
"4348138","9.1328","0.0007","10.9497","0.0008","11.179","0.0007","65.847","0.007","84.709","0.006","74.717","0.007","983.82","0.14","173","0.14","173","0.14","","","","","","","","5","P -1","-P 1","2","","","","- C16 H19 N5 O8 V2 -","- C16 H19 N5 O8 V2 -","- C32 H38 N10 O16 V4 -","2","1","","Dragancea, Diana; Talmaci, Natalia; Shova, Sergiu; Novitchi, Ghenadie; Darvasiová, Denisa; Rapta, Peter; Breza, Martin; Galanski, Markus; Kož\?íšek, Jozef; Martins, Nuno M. R.; Martins, Luísa M D R S; Pombeiro, Armando J. L.; Arion, Vladimir B.","Vanadium(V) Complexes with Substituted 1,5-bis(2-hydroxybenzaldehyde)carbohydrazones and Their Use As Catalyst Precursors in Oxidation of Cyclohexane.","Inorganic chemistry","2016","55","18","9187","9203","10.1021/acs.inorgchem.6b01011","","","0.71073","MoKα","","0.0803","0.0519","","","0.0839","0.0963","","","","","","1.022","","","","has coordinates","232788","2020-10-21","18:00:00",""
"4348139","12.4787","0.0015","14.6106","0.0015","15.592","0.002","104.222","0.004","91.701","0.003","103.923","0.004","2662.7","0.5","120","2","120","","","","","","","","","6","P -1","-P 1","2","","","","- C36.3 H39.2 Cl8 N8 O19.3 V4 -","- C36.3 H39.2 Cl8 N8 O19.3 V4 -","- C72.6 H78.4 Cl16 N16 O38.6 V8 -","2","1","","Dragancea, Diana; Talmaci, Natalia; Shova, Sergiu; Novitchi, Ghenadie; Darvasiová, Denisa; Rapta, Peter; Breza, Martin; Galanski, Markus; Kož\?íšek, Jozef; Martins, Nuno M. R.; Martins, Luísa M D R S; Pombeiro, Armando J. L.; Arion, Vladimir B.","Vanadium(V) Complexes with Substituted 1,5-bis(2-hydroxybenzaldehyde)carbohydrazones and Their Use As Catalyst Precursors in Oxidation of Cyclohexane.","Inorganic chemistry","2016","55","18","9187","9203","10.1021/acs.inorgchem.6b01011","","","0.71073","MoKα","","0.0886","0.0608","","","0.1431","0.1599","","","","","","1.023","","","","has coordinates,has disorder","232789","2020-10-21","18:00:00",""
"4348140","12.283","0.0004","28.0101","0.0008","13.3793","0.0004","90","","111.917","0.002","90","","4270.4","0.2","173","2","173.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C35 H40 N8 O17 V4 -","- C35 H40 N8 O17 V4 -","- C140 H160 N32 O68 V16 -","4","1","","Dragancea, Diana; Talmaci, Natalia; Shova, Sergiu; Novitchi, Ghenadie; Darvasiová, Denisa; Rapta, Peter; Breza, Martin; Galanski, Markus; Kož\?íšek, Jozef; Martins, Nuno M. R.; Martins, Luísa M D R S; Pombeiro, Armando J. L.; Arion, Vladimir B.","Vanadium(V) Complexes with Substituted 1,5-bis(2-hydroxybenzaldehyde)carbohydrazones and Their Use As Catalyst Precursors in Oxidation of Cyclohexane.","Inorganic chemistry","2016","55","18","9187","9203","10.1021/acs.inorgchem.6b01011","","","0.71069","MoKα","","0.1202","0.0484","","","0.0568","0.0673","","","","","","0.807","","","","has coordinates","232790","2020-10-21","18:00:00",""
"4348141","12.524","0.001","12.21","0.001","15.74","0.001","90","","100.701","0.001","90","","2365.1","0.3","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C16 H14 Dy N3 O6 -","- C16 H14 Dy N3 O6 -","- C64 H56 Dy4 N12 O24 -","4","1","","Chen, Qi; Li, Jian; Meng, Yin-Shan; Sun, Hao-Ling; Zhang, Yi-Quan; Sun, Jun-Liang; Gao, Song","Tuning Slow Magnetic Relaxation in a Two-Dimensional Dysprosium Layer Compound through Guest Molecules.","Inorganic chemistry","2016","55","16","7980","7987","10.1021/acs.inorgchem.6b01014","","","0.71073","MoKα","","0.0334","0.0261","","","0.0539","0.0558","","","","","","0.94","","","","has coordinates","232791","2020-10-21","18:00:00",""
"4348142","11.8628","0.0008","13.087","0.003","13.6022","0.0008","90","","111.301","0.0007","90","","1967.5","0.5","298","","298","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C35 Dy2 N7 O13 -","- C35 Dy2 N7 O13 -","- C70 Dy4 N14 O26 -","2","0.5","","Chen, Qi; Li, Jian; Meng, Yin-Shan; Sun, Hao-Ling; Zhang, Yi-Quan; Sun, Jun-Liang; Gao, Song","Tuning Slow Magnetic Relaxation in a Two-Dimensional Dysprosium Layer Compound through Guest Molecules.","Inorganic chemistry","2016","55","16","7980","7987","10.1021/acs.inorgchem.6b01014","powder diffraction","","1.5418","CuKα","","","","","","","","","0.00778","2.805","","","","","","","has coordinates","232793","2020-10-21","18:00:00",""
"4348143","12.6688","0.0005","13.4002","0.0004","14.0772","0.0005","78.272","0.003","78.541","0.003","84.586","0.003","2289.65","0.14","193","2","193","2","","","","","","","","7","P -1","-P 1","2","","","","- C40 H26 Cl5 F6 N7 P Re -","- C40 H26 Cl5 F6 N7 P Re -","- C80 H52 Cl10 F12 N14 P2 Re2 -","2","1","","Ng, Chi-On; Cheng, Shun-Cheung; Chu, Wing-Kin; Tang, Kin-Man; Yiu, Shek-Man; Ko, Chi-Chiu","Luminescent Rhenium(I) Pyridyldiaminocarbene Complexes: Photophysics, Anion-Binding, and CO2-Capturing Properties.","Inorganic chemistry","2016","55","16","7969","7979","10.1021/acs.inorgchem.6b01017","","","1.54178","CuKα","","0.0353","0.0327","","","0.0814","0.0832","","","","","","1.059","","","","has coordinates,has disorder","232794","2020-10-21","18:00:00",""
"4348144","11.6465","0.0011","12.4634","0.0012","17.4211","0.0015","97.016","0.008","104.947","0.008","105.707","0.009","2301.3","0.4","173","2","173","2","","","","","","","","8","P -1","-P 1","2","","","","- C38 H24 Cl5 F6 N7 P Re S -","- C38 H24 Cl5 F6 N7 P Re S -","- C76 H48 Cl10 F12 N14 P2 Re2 S2 -","2","1","","Ng, Chi-On; Cheng, Shun-Cheung; Chu, Wing-Kin; Tang, Kin-Man; Yiu, Shek-Man; Ko, Chi-Chiu","Luminescent Rhenium(I) Pyridyldiaminocarbene Complexes: Photophysics, Anion-Binding, and CO2-Capturing Properties.","Inorganic chemistry","2016","55","16","7969","7979","10.1021/acs.inorgchem.6b01017","","","0.71073","MoKα","","0.0861","0.0649","","","0.1669","0.1823","","","","","","1.143","","","","has coordinates,has disorder","232794","2020-10-21","18:00:00",""
"4348145","12.3686","0.0002","19.9396","0.0005","24.0236","0.0006","68.848","0.002","82.7157","0.0017","74.5455","0.0018","5322.8","0.2","193","2","193","2","","","","","","","","7","P -1","-P 1","2","","","","- C52.25 H56 Cl1.5 F6 N7 P Re -","- C52.25 H56 Cl1.5 F6 N7 P Re -","- C209 H224 Cl6 F24 N28 P4 Re4 -","4","2","","Ng, Chi-On; Cheng, Shun-Cheung; Chu, Wing-Kin; Tang, Kin-Man; Yiu, Shek-Man; Ko, Chi-Chiu","Luminescent Rhenium(I) Pyridyldiaminocarbene Complexes: Photophysics, Anion-Binding, and CO2-Capturing Properties.","Inorganic chemistry","2016","55","16","7969","7979","10.1021/acs.inorgchem.6b01017","","","1.54178","CuKα","","0.084","0.0738","","","0.2042","0.2183","","","","","","1.036","","","","has coordinates,has disorder","232794","2020-10-21","18:00:00",""
"4348146","20.17588","0.00014","14.41572","0.0001","23.80992","0.00016","90","","99.9562","0.0006","90","","6820.82","0.08","193","2","193","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C70 H91 F6 N7 P Re -","- C70 H91 F6 N7 P Re -","- C280 H364 F24 N28 P4 Re4 -","4","1","","Ng, Chi-On; Cheng, Shun-Cheung; Chu, Wing-Kin; Tang, Kin-Man; Yiu, Shek-Man; Ko, Chi-Chiu","Luminescent Rhenium(I) Pyridyldiaminocarbene Complexes: Photophysics, Anion-Binding, and CO2-Capturing Properties.","Inorganic chemistry","2016","55","16","7969","7979","10.1021/acs.inorgchem.6b01017","","","1.54178","CuKα","","0.0259","0.0244","","","0.062","0.0629","","","","","","1.125","","","","has coordinates,has disorder","232794","2020-10-21","18:00:00",""
"4348147","34.04","0.005","34.04","0.005","34.04","0.005","90","","90","","90","","39443","10","100","","100","","","","","","","","","7","I -4 3 d","I -4bd 2c 3","220","","","","- C88 H112 Cl4 Dy4 N12 Ni4 O30.66667 -","- C88 H112 Cl4 Dy4 N12 Ni4 O30.6667 -","- C1056 H1344 Cl48 Dy48 N144 Ni48 O368 -","12","0.25","","Biswas, Sourav; Goura, Joydeb; Das, Sourav; Topping, Craig V.; Brambleby, Jamie; Goddard, Paul A.; Chandrasekhar, Vadapalli","Octanuclear Heterobimetallic {Ni4Ln4} Assemblies Possessing Ln4 Square Grid [2 ×2] Motifs: Synthesis, Structure, and Magnetism.","Inorganic chemistry","2016","55","17","8422","8436","10.1021/acs.inorgchem.6b01019","","","0.71069","MoKα","","0.0493","0.036","","","0.0804","0.0853","","","","","","1.061","","","","has coordinates","268283","2021-08-30","06:31:23",""
"4348148","34.0802","0.0016","34.0802","0.0016","34.0802","0.0016","90","","90","","90","","39583","3","100","","100","","","","","","","","","7","I -4 3 d","I -4bd 2c 3","220","","","","- C88 H104 Cl4 N12 Ni4 O40 Tb4 -","- C88 H104 Cl4 N12 Ni4 O40 Tb4 -","- C1056 H1248 Cl48 N144 Ni48 O480 Tb48 -","12","0.25","","Biswas, Sourav; Goura, Joydeb; Das, Sourav; Topping, Craig V.; Brambleby, Jamie; Goddard, Paul A.; Chandrasekhar, Vadapalli","Octanuclear Heterobimetallic {Ni4Ln4} Assemblies Possessing Ln4 Square Grid [2 ×2] Motifs: Synthesis, Structure, and Magnetism.","Inorganic chemistry","2016","55","17","8422","8436","10.1021/acs.inorgchem.6b01019","","","0.71073","MoKα","","0.029","0.0266","","","0.0687","0.0701","","","","","","1.031","","","","has coordinates","232795","2020-10-21","18:00:00",""
"4348149","34.09","0.005","34.09","0.005","34.09","0.005","90","","90","","90","","39617","10","100","","100","","","","","","","","","7","I -4 3 d","I -4bd 2c 3","220","","","","- C92 H108 Cl4 Gd4 N12 Ni4 O47.33333 -","- C92 H108 Cl4 Gd4 N12 Ni4 O47.3333 -","- C1104 H1296 Cl48 Gd48 N144 Ni48 O568 -","12","0.25","","Biswas, Sourav; Goura, Joydeb; Das, Sourav; Topping, Craig V.; Brambleby, Jamie; Goddard, Paul A.; Chandrasekhar, Vadapalli","Octanuclear Heterobimetallic {Ni4Ln4} Assemblies Possessing Ln4 Square Grid [2 ×2] Motifs: Synthesis, Structure, and Magnetism.","Inorganic chemistry","2016","55","17","8422","8436","10.1021/acs.inorgchem.6b01019","","","0.71069","MoKα","","0.0391","0.0338","","","0.0898","0.0938","","","","","","1.066","","","","has coordinates","264242","2021-04-16","08:52:18",""
"4348150","34.057","0.005","34.057","0.005","34.057","0.005","90","","90","","90","","39502","10","100","","100","","","","","","","","","7","I -4 3 d","I -4bd 2c 3","220","","","","- C88 H108 Cl4 Ho4 N12 Ni4 O54.66667 -","- C88 H108 Cl4 Ho4 N12 Ni4 O54.6667 -","- C1056 H1296 Cl48 Ho48 N144 Ni48 O656 -","12","0.25","","Biswas, Sourav; Goura, Joydeb; Das, Sourav; Topping, Craig V.; Brambleby, Jamie; Goddard, Paul A.; Chandrasekhar, Vadapalli","Octanuclear Heterobimetallic {Ni4Ln4} Assemblies Possessing Ln4 Square Grid [2 ×2] Motifs: Synthesis, Structure, and Magnetism.","Inorganic chemistry","2016","55","17","8422","8436","10.1021/acs.inorgchem.6b01019","","","0.71069","MoKα","","0.0396","0.0359","","","0.0902","0.092","","","","","","1.072","","","","has coordinates","264242","2021-04-16","08:52:18",""
"4348151","12.0793","0.0004","13.574","0.0005","15.0188","0.0006","83.485","0.003","84.65","0.003","86.793","0.003","2433.42","0.16","100","2","100.15","","","","","","","","","6","P -1","-P 1","2","","","","- C104 H100 Cl4 Mo4 N12 O16 -","- C104 H96 Cl4 Mo4 N12 O16 -","- C104 H96 Cl4 Mo4 N12 O16 -","1","0.5","","Zhu, Guang Yuan; Meng, Miao; Tan, Ying Ning; Xiao, Xuan; Liu, Chun Y.","Electronic Coupling between Two Covalently Bonded Dimolybdenum Units Bridged by a Naphthalene Group.","Inorganic chemistry","2016","55","12","6315","6322","10.1021/acs.inorgchem.6b01021","","x-ray","1.54178","CuKα","","0.0806","0.0595","","","0.1567","0.1731","","","","","","1.036","","","","has coordinates,has disorder","232797","2020-10-21","18:00:00",""
"4348152","12.4999","0.0003","14.1504","0.0005","15.5088","0.0007","105.374","0.003","98.551","0.003","96.329","0.003","2583.19","0.17","173.01","0.1","173.01","0.1","","","","","","","","7","P -1","-P 1","2","","","","- C104 H102 Cl4 Mo4 N12 O14 S2 -","- C104 H101.2 Cl4 Mo4 N12 O14 S2 -","- C104 H101.2 Cl4 Mo4 N12 O14 S2 -","1","0.5","","Zhu, Guang Yuan; Meng, Miao; Tan, Ying Ning; Xiao, Xuan; Liu, Chun Y.","Electronic Coupling between Two Covalently Bonded Dimolybdenum Units Bridged by a Naphthalene Group.","Inorganic chemistry","2016","55","12","6315","6322","10.1021/acs.inorgchem.6b01021","","","1.54178","CuKα","","0.0687","0.0583","","","0.1558","0.171","","","","","","1.026","","","","has coordinates,has disorder","232797","2020-10-21","18:00:00",""
"4348153","9.6079","0.0004","12.7804","0.0006","20.3393","0.0008","92.208","0.003","99.738","0.003","100.073","0.004","2417.61","0.18","173.01","0.1","173.01","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C102 H96 Mo4 N12 O12 S4 -","- C106 H96 Mo4 N12 O14 S4 -","- C106 H96 Mo4 N12 O14 S4 -","1","0.5","","Zhu, Guang Yuan; Meng, Miao; Tan, Ying Ning; Xiao, Xuan; Liu, Chun Y.","Electronic Coupling between Two Covalently Bonded Dimolybdenum Units Bridged by a Naphthalene Group.","Inorganic chemistry","2016","55","12","6315","6322","10.1021/acs.inorgchem.6b01021","","x-ray","1.54184","CuKα","","0.0646","0.0519","","","0.1319","0.1461","","","","","","1.039","","","","has coordinates,has disorder","232797","2020-10-21","18:00:00",""
"4348154","5.9904","0.0001","10.3974","0.0003","27.3036","0.0006","92.437","0.002","96.088","0.002","100.467","0.002","1659.54","0.07","100.01","0.1","100","1","","","","","","","","5","P -1","-P 1","2","","11-(4-(4-dimethoxyphenyl)aminophenyl)dipyrido[3,2-a:2',3'-c]phenazine","","- C39 H28 Cl3 N5 O2 -","- C39 H28 Cl3 N5 O2 -","- C78 H56 Cl6 N10 O4 -","2","1","","Larsen, Christopher B.; van der Salm, Holly; Shillito, Georgina E.; Lucas, Nigel T.; Gordon, Keith C.","Tuning the Rainbow: Systematic Modulation of Donor-Acceptor Systems through Donor Substituents and Solvent.","Inorganic chemistry","2016","55","17","8446","8458","10.1021/acs.inorgchem.6b01039","","","1.54184","CuKα","","0.0491","0.0455","","","0.1265","0.1311","","","","","","1.045","","","","has coordinates","232798","2020-10-21","18:00:00",""
"4348155","7.4105","0.0002","12.6297","0.0004","17.1588","0.0007","110.283","0.003","94.904","0.003","99.001","0.003","1470.78","0.09","100","1","100","1","","","","","","","","5","P -1","-P 1","2","","5-(4-Trimethylsilylphenyl)benzo[c][1,2,5]thiadiazole","","- C15 H16 N2 S Si -","- C15 H16 N2 S Si -","- C60 H64 N8 S4 Si4 -","4","2","","Larsen, Christopher B.; van der Salm, Holly; Shillito, Georgina E.; Lucas, Nigel T.; Gordon, Keith C.","Tuning the Rainbow: Systematic Modulation of Donor-Acceptor Systems through Donor Substituents and Solvent.","Inorganic chemistry","2016","55","17","8446","8458","10.1021/acs.inorgchem.6b01039","","","1.54184","CuKα","","0.0484","0.044","","","0.1214","0.1269","","","","","","1.05","","","","has coordinates","232798","2020-10-21","18:00:00",""
"4348156","11.8966","0.0004","20.0367","0.0007","14.4535","0.0005","90","","95.478","0.001","90","","3429.5","0.2","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C44 H90 I8 Mo6 N2 O12 -","- C44 H90 I8 Mo6 N2 O12 -","- C88 H180 I16 Mo12 N4 O24 -","2","0.5","","Mikhailov, Maxim A.; Brylev, Konstantin A.; Abramov, Pavel A.; Sakuda, Eri; Akagi, Soichiro; Ito, Akitaka; Kitamura, Noboru; Sokolov, Maxim N.","Synthetic Tuning of Redox, Spectroscopic, and Photophysical Properties of {Mo6I8}(4+) Core Cluster Complexes by Terminal Carboxylate Ligands.","Inorganic chemistry","2016","55","17","8437","8445","10.1021/acs.inorgchem.6b01042","","x-ray","0.71073","MoKα","","0.0668","0.0383","","","0.072","0.0823","","","","","","1.013","","","","has coordinates","232800","2020-10-21","18:00:00",""
"4348157","13.4921","0.0007","13.7589","0.0007","21.9131","0.0011","90","","94.388","0.001","90","","4055.9","0.4","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C62 H90 I8 Mo6 N2 O18 -","- C62 H90 I8 Mo6 N2 O18 -","- C124 H180 I16 Mo12 N4 O36 -","2","0.5","","Mikhailov, Maxim A.; Brylev, Konstantin A.; Abramov, Pavel A.; Sakuda, Eri; Akagi, Soichiro; Ito, Akitaka; Kitamura, Noboru; Sokolov, Maxim N.","Synthetic Tuning of Redox, Spectroscopic, and Photophysical Properties of {Mo6I8}(4+) Core Cluster Complexes by Terminal Carboxylate Ligands.","Inorganic chemistry","2016","55","17","8437","8445","10.1021/acs.inorgchem.6b01042","","x-ray","0.71073","MoKα","","0.085","0.0432","","","0.0893","0.107","","","","","","1","","","","has coordinates,has disorder","232800","2020-10-21","18:00:00",""
"4348158","13.441","0.0007","23.9391","0.0012","14.5922","0.0006","90","","94.5167","0.0014","90","","4680.7","0.4","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C74 H102 I8 Mo6 N2 O12 -","- C74 H102 I8 Mo6 N2 O12 -","- C148 H204 I16 Mo12 N4 O24 -","2","0.5","","Mikhailov, Maxim A.; Brylev, Konstantin A.; Abramov, Pavel A.; Sakuda, Eri; Akagi, Soichiro; Ito, Akitaka; Kitamura, Noboru; Sokolov, Maxim N.","Synthetic Tuning of Redox, Spectroscopic, and Photophysical Properties of {Mo6I8}(4+) Core Cluster Complexes by Terminal Carboxylate Ligands.","Inorganic chemistry","2016","55","17","8437","8445","10.1021/acs.inorgchem.6b01042","","x-ray","0.71073","MoKα","","0.0737","0.0386","","","0.0737","0.0831","","","","","","0.969","","","","has coordinates,has disorder","232800","2020-10-21","18:00:00",""
"4348159","14.2267","0.001","16.1895","0.0012","21.969","0.0016","90","","96.476","0.002","90","","5027.7","0.6","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C98 H114 I8 Mo6 N2 O12 -","- C98 H114 I8 Mo6 N2 O12 -","- C196 H228 I16 Mo12 N4 O24 -","2","0.5","","Mikhailov, Maxim A.; Brylev, Konstantin A.; Abramov, Pavel A.; Sakuda, Eri; Akagi, Soichiro; Ito, Akitaka; Kitamura, Noboru; Sokolov, Maxim N.","Synthetic Tuning of Redox, Spectroscopic, and Photophysical Properties of {Mo6I8}(4+) Core Cluster Complexes by Terminal Carboxylate Ligands.","Inorganic chemistry","2016","55","17","8437","8445","10.1021/acs.inorgchem.6b01042","","x-ray","0.71073","MoKα","","0.1517","0.062","","","0.1281","0.1724","","","","","","0.938","","","","has coordinates","232800","2020-10-21","18:00:00",""
"4348160","12.5244","0.0005","21.0853","0.0008","16.6103","0.0005","90","","105.959","0.001","90","","4217.4","0.3","150","2","150","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C50 H72 F30 I8 Mo6 N2 O12 -","- C50 H72 F30 I8 Mo6 N2 O12 -","- C100 H144 F60 I16 Mo12 N4 O24 -","2","0.5","","Mikhailov, Maxim A.; Brylev, Konstantin A.; Abramov, Pavel A.; Sakuda, Eri; Akagi, Soichiro; Ito, Akitaka; Kitamura, Noboru; Sokolov, Maxim N.","Synthetic Tuning of Redox, Spectroscopic, and Photophysical Properties of {Mo6I8}(4+) Core Cluster Complexes by Terminal Carboxylate Ligands.","Inorganic chemistry","2016","55","17","8437","8445","10.1021/acs.inorgchem.6b01042","","x-ray","0.71073","MoKα","","0.0443","0.0353","","","0.0832","0.0891","","","","","","1.053","","","","has coordinates","232800","2020-10-21","18:00:00",""
"4348161","18.0461","0.0013","9.3406","0.0007","17.1624","0.0012","90","","115.156","0.001","90","","2618.5","0.3","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C12 H36 Br4 P4 Re2 -","- C12 H36 Br4 P4 Re2 -","- C48 H144 Br16 P16 Re8 -","4","0.5","","Johnstone, Erik V.; Poineau, Frederic; Todorova, Tanya K.; Forster, Paul M.; Sørensen, Lasse K; Fdez Galván, Ignacio; Lindh, Roland; Czerwinski, Kenneth R.; Sattelberger, Alfred P.","Molecular and Electronic Structure of Re2Br4(PMe3)4.","Inorganic chemistry","2016","55","14","7111","7116","10.1021/acs.inorgchem.6b01052","","","0.71073","MoKα","","0.0274","0.0261","","","0.0665","0.0671","","","","","","1.126","","","","has coordinates","232801","2020-10-21","18:00:00",""
"4348162","7.3316","0.0008","10.9505","0.0011","11.703","0.002","63.101","0.003","84.681","0.005","84.531","0.005","832.8","0.19","173.15","","173.15","","","","","","","","","6","P -1","-P 1","2","","","","- C18 H16 Cl N3 O2 Pt -","- C18 H16 Cl N3 O2 Pt -","- C36 H32 Cl2 N6 O4 Pt2 -","2","1","","Gong, Zhong-Liang; Zhong, Yu-Wu","H<sub>2</sub>PO<sub>4</sub><sup>-</sup>- and Solvent-Induced Polymorphism of an Amide-Functionalized [Pt(N^C^N)Cl] Complex.","Inorganic chemistry","2016","55","20","10143","10151","10.1021/acs.inorgchem.6b01059","","","0.71073","MoKα","","0.031","0.0301","","","0.0742","0.0752","","","","","","1.078","","","","has coordinates","232803","2020-10-21","18:00:00",""
"4348163","13.3677","0.0008","16.8635","0.0012","10.7622","0.0006","90","","90","","90","","2426.1","0.3","150","2","150","2","","","","","","","","5","P b c n","-P 2n 2ab","60","Ti(DOBDC)(cat)(DEAH)2","","","- C88 H120 N8 O32 Ti4 -","- C88 H120 N8 O32 Ti4 -","- C88 H120 N8 O32 Ti4 -","1","0.125","","Assi, Hala; Pardo Pérez, Laura C; Mouchaham, Georges; Ragon, Florence; Nasalevich, Maxim; Guillou, Nathalie; Martineau, Charlotte; Chevreau, Hubert; Kapteijn, Freek; Gascon, Jorge; Fertey, Pierre; Elkaim, Erik; Serre, Christian; Devic, Thomas","Investigating the Case of Titanium(IV) Carboxyphenolate Photoactive Coordination Polymers.","Inorganic chemistry","2016","55","15","7192","7199","10.1021/acs.inorgchem.6b01060","","x-ray","0.66762","synchrotron","","0.0812","0.0676","","","0.1836","0.1987","","","","","","1.058","","","","has coordinates","232804","2020-10-21","18:00:00",""
"4348164","8.10511","0.00005","8.15098","0.00005","9.90029","0.00006","75.8518","0.0004","82.3596","0.0004","76.9343","0.0006","615.706","0.007","293","","293","","","","","","","","","5","P -1","-P 1","2","","","MIL-169","- C20 H24 N2 O17 Ti2 -","- C20 H16 N2 O17 Ti2 -","- C20 H16 N2 O17 Ti2 -","1","0.5","","Assi, Hala; Pardo Pérez, Laura C; Mouchaham, Georges; Ragon, Florence; Nasalevich, Maxim; Guillou, Nathalie; Martineau, Charlotte; Chevreau, Hubert; Kapteijn, Freek; Gascon, Jorge; Fertey, Pierre; Elkaim, Erik; Serre, Christian; Devic, Thomas","Investigating the Case of Titanium(IV) Carboxyphenolate Photoactive Coordination Polymers.","Inorganic chemistry","2016","55","15","7192","7199","10.1021/acs.inorgchem.6b01060","powder diffraction","","0.7261","X-raysynchrotron","","","","","","","","","0.05","3.53","","","","","","","has coordinates","232805","2020-10-21","18:00:00",""
"4348165","8.0923","0.0008","20.2213","0.0019","14.3201","0.0014","90","","98.568","0.002","90","","2317.1","0.4","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H37 N3 Pd0.5 S2 -","- C20 H37 N3 Pd0.5 S2 -","- C80 H148 N12 Pd2 S8 -","4","1","","Kennedy, Steven R.; Kozar, Morgan N.; Yennawar, Hemant P.; Lear, Benjamin J.","Steady-State Spectroscopic Analysis of Proton-Dependent Electron Transfer on Pyrazine-Appended Metal Dithiolenes [Ni(pdt)2], [Pd(pdt)2], and [Pt(pdt)2] (pdt = 2,3-Pyrazinedithiol).","Inorganic chemistry","2016","55","17","8459","8467","10.1021/acs.inorgchem.6b01065","","","0.71073","MoKα","","0.1013","0.067","","","0.1534","0.1715","","","","","","1.071","","","","has coordinates","232807","2020-10-21","18:00:00",""
"4348166","8.2394","0.0015","20.015","0.004","14.35","0.003","90","","99.736","0.004","90","","2332.4","0.8","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C40 H46 N6 Pt S4 -","- C40 H46 N6 Pt S4 -","- C80 H92 N12 Pt2 S8 -","2","0.5","","Kennedy, Steven R.; Kozar, Morgan N.; Yennawar, Hemant P.; Lear, Benjamin J.","Steady-State Spectroscopic Analysis of Proton-Dependent Electron Transfer on Pyrazine-Appended Metal Dithiolenes [Ni(pdt)2], [Pd(pdt)2], and [Pt(pdt)2] (pdt = 2,3-Pyrazinedithiol).","Inorganic chemistry","2016","55","17","8459","8467","10.1021/acs.inorgchem.6b01065","","","0.71073","MoKα","","0.1188","0.0595","","","0.1491","0.1827","","","","","","0.965","","","","has coordinates","232808","2020-10-21","18:00:00",""
"4348167","8.6682","0.0002","14.7652","0.0003","18.3708","0.0004","71.785","0.002","88.7145","0.0019","76.039","0.002","2163.86","0.09","200","","200","","","","","","","","","4","P 1","P 1","1","","","","- C24 H26 N4 O2 -","- C24 H26 N4 O2 -","- C96 H104 N16 O8 -","4","4","","Gorla, Lingaraju; Martí-Centelles, Vicente; Freimuth, Lena; Altava, Belén; Burguete, M. Isabel; Luis, Santiago V.","Cu(2+), Zn(2+), and Ni(2+) Complexes of C2-Symmetric Pseudopeptides with an Aromatic Central Spacer.","Inorganic chemistry","2016","55","15","7617","7629","10.1021/acs.inorgchem.6b01066","","x-ray","1.54184","CuKα","","0.0588","0.0501","","","0.1404","0.1493","","","","","","1.029","","","","has coordinates","232809","2020-10-21","18:00:00",""
"4348168","11.2386","0.0003","15.6641","0.0003","21.5505","0.0005","90","","90","","90","","3793.81","0.15","200","","200","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C32 H52 Cu2 N8 O6 -","- C32 H52 Cu2 N8 O6 -","- C128 H208 Cu8 N32 O24 -","4","1","","Gorla, Lingaraju; Martí-Centelles, Vicente; Freimuth, Lena; Altava, Belén; Burguete, M. Isabel; Luis, Santiago V.","Cu(2+), Zn(2+), and Ni(2+) Complexes of C2-Symmetric Pseudopeptides with an Aromatic Central Spacer.","Inorganic chemistry","2016","55","15","7617","7629","10.1021/acs.inorgchem.6b01066","","","1.54184","CuKα","","0.053","0.0502","","","0.1306","0.1349","","","","","","1.043","","","","has coordinates,has disorder","232809","2020-10-21","18:00:00",""
"4348169","8.95087","0.0001","12.63503","0.0001","19.02315","0.00015","90","","90","","90","","2151.41","0.03","200","","200","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C19 H32 N4 O3 Zn -","- C19 H32 N4 O3 Zn -","- C76 H128 N16 O12 Zn4 -","4","1","","Gorla, Lingaraju; Martí-Centelles, Vicente; Freimuth, Lena; Altava, Belén; Burguete, M. Isabel; Luis, Santiago V.","Cu(2+), Zn(2+), and Ni(2+) Complexes of C2-Symmetric Pseudopeptides with an Aromatic Central Spacer.","Inorganic chemistry","2016","55","15","7617","7629","10.1021/acs.inorgchem.6b01066","","x-ray","1.54184","CuKα","","0.0237","0.0226","","","0.0583","0.0592","","","","","","1.043","","","","has coordinates","232809","2020-10-21","18:00:00",""
"4348170","11.1735","0.0003","15.6927","0.0004","21.4976","0.0005","90","","90","","90","","3769.44","0.16","199.95","0.1","199.95","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C16 H26 N4 Ni O3 -","- C16 H26 N4 Ni O3 -","- C128 H208 N32 Ni8 O24 -","8","2","","Gorla, Lingaraju; Martí-Centelles, Vicente; Freimuth, Lena; Altava, Belén; Burguete, M. Isabel; Luis, Santiago V.","Cu(2+), Zn(2+), and Ni(2+) Complexes of C2-Symmetric Pseudopeptides with an Aromatic Central Spacer.","Inorganic chemistry","2016","55","15","7617","7629","10.1021/acs.inorgchem.6b01066","","","0.71073","MoKα","","0.0379","0.0332","","","0.077","0.0819","","","","","","1.068","","","","has coordinates","254024","2020-10-21","18:00:00",""
"4348171","10.1351","0.0002","10.5175","0.0002","11.9667","0.0002","81.1495","0.0017","67.742","0.002","62.348","0.002","1045.34","0.04","199.95","0.1","199.95","0.1","","","","","","","","5","P 1","P 1","1","","","","- C24 H24 Cu N4 O2 -","- C24 H24 Cu N4 O2 -","- C48 H48 Cu2 N8 O4 -","2","2","","Gorla, Lingaraju; Martí-Centelles, Vicente; Freimuth, Lena; Altava, Belén; Burguete, M. Isabel; Luis, Santiago V.","Cu(2+), Zn(2+), and Ni(2+) Complexes of C2-Symmetric Pseudopeptides with an Aromatic Central Spacer.","Inorganic chemistry","2016","55","15","7617","7629","10.1021/acs.inorgchem.6b01066","","","1.54184","CuKα","","0.0275","0.0274","","","0.0739","0.0742","","","","","","1.053","","","","has coordinates","254024","2020-10-21","18:00:00",""
"4348172","11.8168","0.0001","11.8168","0.0001","14.8474","0.00018","90","","90","","90","","2073.24","0.04","200","","200","","","","","","","","","5","P 41 21 2","P 4abw 2nw","92","","","","- C12 H11 N Ni0.5 O2 -","- C12 H12 N2 Ni0.5 O -","- C96 H96 N16 Ni4 O8 -","8","1","","Gorla, Lingaraju; Martí-Centelles, Vicente; Freimuth, Lena; Altava, Belén; Burguete, M. Isabel; Luis, Santiago V.","Cu(2+), Zn(2+), and Ni(2+) Complexes of C2-Symmetric Pseudopeptides with an Aromatic Central Spacer.","Inorganic chemistry","2016","55","15","7617","7629","10.1021/acs.inorgchem.6b01066","","","1.54184","CuKα","","0.0222","0.0218","","","0.0594","0.0598","","","","","","1.105","","","","has coordinates","232809","2020-10-21","18:00:00",""
"4348173","13.049","0.004","20.954","0.007","16.953","0.004","90","","121.536","0.017","90","","3951","2","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C48 H112 O32 Ti12 -","- C48 H112 O32 Ti12 -","- C96 H224 O64 Ti24 -","2","0.5","","Hu, Junyi; Zhan, Lijie; Zhang, Guanyun; Zhang, Qun; Du, Lin; Tung, Chen-Ho; Wang, Yifeng","Effects of Substitutional Dopants on the Photoresponse of a Polyoxotitanate Cluster.","Inorganic chemistry","2016","55","17","8493","8501","10.1021/acs.inorgchem.6b01071","","","0.71073","MoKα","","0.1594","0.0897","","","0.2332","0.292","","","","","","1.004","","","","has coordinates","232810","2020-10-21","18:00:00",""
"4348174","16.302","0.003","14.391","0.003","19.729","0.004","90","","91.356","0.004","90","","4627.2","1.6","173","","173","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Ti11","","- C54 H126 O32 Ti11 -","- C54 H126 O32 Ti11 -","- C108 H252 O64 Ti22 -","2","0.5","","Hu, Junyi; Zhan, Lijie; Zhang, Guanyun; Zhang, Qun; Du, Lin; Tung, Chen-Ho; Wang, Yifeng","Effects of Substitutional Dopants on the Photoresponse of a Polyoxotitanate Cluster.","Inorganic chemistry","2016","55","17","8493","8501","10.1021/acs.inorgchem.6b01071","","","0.71073","MoKα","","0.1991","0.0966","","","0.2366","0.2842","","","","","","0.929","","","","has coordinates","232810","2020-10-21","18:00:00",""
"4348175","15.047","0.003","13.919","0.003","20.904","0.005","90","","90.123","0.002","90","","4378.1","1.7","173","2","173.15","","","","","","","","","6","P 1 n 1","P -2yac","7","","","","- C54 H127 Cl Co O32 Ti11 -","- C54 H127 Cl Co O32 Ti11 -","- C108 H254 Cl2 Co2 O64 Ti22 -","2","1","","Hu, Junyi; Zhan, Lijie; Zhang, Guanyun; Zhang, Qun; Du, Lin; Tung, Chen-Ho; Wang, Yifeng","Effects of Substitutional Dopants on the Photoresponse of a Polyoxotitanate Cluster.","Inorganic chemistry","2016","55","17","8493","8501","10.1021/acs.inorgchem.6b01071","","","0.71073","MoKα","","0.1051","0.0579","","","0.1236","0.1469","","","","","","1.017","","","","has coordinates,has disorder","232810","2020-10-21","18:00:00",""
"4348176","15.0664","0.0016","13.9101","0.0014","20.852","0.002","90","","90","","90","","4370.1","0.8","296","2","296.15","","","","","","","","","6","P 1 n 1","P -2yac","7","","","","- C51 H119 Br Co O31 Ti11 -","- C51 H119 Br Co O31 Ti11 -","- C102 H238 Br2 Co2 O62 Ti22 -","2","1","","Hu, Junyi; Zhan, Lijie; Zhang, Guanyun; Zhang, Qun; Du, Lin; Tung, Chen-Ho; Wang, Yifeng","Effects of Substitutional Dopants on the Photoresponse of a Polyoxotitanate Cluster.","Inorganic chemistry","2016","55","17","8493","8501","10.1021/acs.inorgchem.6b01071","","","0.71073","MoKα","","0.1113","0.061","","","0.1504","0.1624","","","","","","0.881","","","","has coordinates","232810","2020-10-21","18:00:00",""
"4348177","15.0662","0.0004","13.9583","0.0004","20.9181","0.0005","90","","90","","90","","4399","0.2","296","2","296.15","","","","","","","","","6","P 1 n 1","P -2yac","7","","","","- C51 H119 Co I O31 Ti11 -","- C51 H119 Co I O31 Ti11 -","- C102 H238 Co2 I2 O62 Ti22 -","2","1","","Hu, Junyi; Zhan, Lijie; Zhang, Guanyun; Zhang, Qun; Du, Lin; Tung, Chen-Ho; Wang, Yifeng","Effects of Substitutional Dopants on the Photoresponse of a Polyoxotitanate Cluster.","Inorganic chemistry","2016","55","17","8493","8501","10.1021/acs.inorgchem.6b01071","","","0.71073","MoKα","","0.1247","0.0635","","","0.1305","0.1486","","","","","","0.841","","","","has coordinates","232810","2020-10-21","18:00:00",""
"4348178","26.935","0.017","13.625","0.007","26.06","0.01","90","","112.47","0.04","90","","8838","8","173","2","173.15","","","","","","","","","6","P 1 c 1","P -2yc","7","","","","- C102 H238 Co2 N2 O68 Ti22 -","- C102 H238 Co2 N2 O68 Ti22 -","- C204 H476 Co4 N4 O136 Ti44 -","2","1","","Hu, Junyi; Zhan, Lijie; Zhang, Guanyun; Zhang, Qun; Du, Lin; Tung, Chen-Ho; Wang, Yifeng","Effects of Substitutional Dopants on the Photoresponse of a Polyoxotitanate Cluster.","Inorganic chemistry","2016","55","17","8493","8501","10.1021/acs.inorgchem.6b01071","","","1.54178","CuKα","","0.1703","0.0947","","","0.2387","0.2894","","","","","","1.043","","","","has coordinates,has disorder","232810","2020-10-21","18:00:00",""
"4348179","15.0469","0.0009","13.9297","0.0009","20.9419","0.0014","90","","90","","90","","4389.4","0.5","173","2","173.15","","","","","","","","","6","P 1 n 1","P -2yac","7","","","","- C54 H127 Cl Ni O32 Ti11 -","- C54 H127 Cl Ni O32 Ti11 -","- C108 H254 Cl2 Ni2 O64 Ti22 -","2","1","","Hu, Junyi; Zhan, Lijie; Zhang, Guanyun; Zhang, Qun; Du, Lin; Tung, Chen-Ho; Wang, Yifeng","Effects of Substitutional Dopants on the Photoresponse of a Polyoxotitanate Cluster.","Inorganic chemistry","2016","55","17","8493","8501","10.1021/acs.inorgchem.6b01071","","","0.71073","MoKα","","0.1568","0.0604","","","0.1024","0.1235","","","","","","0.772","","","","has coordinates","232810","2020-10-21","18:00:00",""
"4348180","15.118","0.003","13.918","0.003","20.887","0.005","90","","90.054","0.002","90","","4394.9","1.7","173","2","173.15","","","","","","","","","6","P 1 n 1","P -2yac","7","","","","- C51 H119 Br Ni O31 Ti11 -","- C51 H119 Br Ni O31 Ti11 -","- C102 H238 Br2 Ni2 O62 Ti22 -","2","1","","Hu, Junyi; Zhan, Lijie; Zhang, Guanyun; Zhang, Qun; Du, Lin; Tung, Chen-Ho; Wang, Yifeng","Effects of Substitutional Dopants on the Photoresponse of a Polyoxotitanate Cluster.","Inorganic chemistry","2016","55","17","8493","8501","10.1021/acs.inorgchem.6b01071","","","0.71073","MoKα","","0.1672","0.0736","","","0.1615","0.2012","","","","","","0.976","","","","has coordinates","232810","2020-10-21","18:00:00",""
"4348181","15.1113","0.0005","13.9459","0.0004","20.8851","0.0006","90","","90.141","0.002","90","","4401.3","0.2","173","2","173.15","","","","","","","","","6","P 1 n 1","P -2yac","7","","","","- C51 H119 I Ni O31 Ti11 -","- C51 H119 I Ni O31 Ti11 -","- C102 H238 I2 Ni2 O62 Ti22 -","2","1","","Hu, Junyi; Zhan, Lijie; Zhang, Guanyun; Zhang, Qun; Du, Lin; Tung, Chen-Ho; Wang, Yifeng","Effects of Substitutional Dopants on the Photoresponse of a Polyoxotitanate Cluster.","Inorganic chemistry","2016","55","17","8493","8501","10.1021/acs.inorgchem.6b01071","","","0.71073","MoKα","","0.1485","0.062","","","0.1252","0.1452","","","","","","0.829","","","","has coordinates,has disorder","232810","2020-10-21","18:00:00",""
"4348182","15.05","0.008","13.864","0.008","25.664","0.011","90","","125.86","0.02","90","","4340","4","173","2","173.15","","","","","","","","","6","P 1 c 1","P -2yc","7","","","","- C51 H119 Cl Mg O31 Ti11 -","- C51 H119 Cl Mg O31 Ti11 -","- C102 H238 Cl2 Mg2 O62 Ti22 -","2","1","","Hu, Junyi; Zhan, Lijie; Zhang, Guanyun; Zhang, Qun; Du, Lin; Tung, Chen-Ho; Wang, Yifeng","Effects of Substitutional Dopants on the Photoresponse of a Polyoxotitanate Cluster.","Inorganic chemistry","2016","55","17","8493","8501","10.1021/acs.inorgchem.6b01071","","","0.71073","MoKα","","0.1377","0.0692","","","0.1821","0.2238","","","","","","0.996","","","","has coordinates","232810","2020-10-21","18:00:00",""
"4348183","15.11","0.003","14.173","0.003","20.714","0.005","90","","90.234","0.002","90","","4435.9","1.7","173","2","173.15","","","","","","","","","6","P 1 n 1","P -2yac","7","","","","- C51 H119 Br Mg O31 Ti11 -","- C51 H119 Br Mg O31 Ti11 -","- C102 H238 Br2 Mg2 O62 Ti22 -","2","1","","Hu, Junyi; Zhan, Lijie; Zhang, Guanyun; Zhang, Qun; Du, Lin; Tung, Chen-Ho; Wang, Yifeng","Effects of Substitutional Dopants on the Photoresponse of a Polyoxotitanate Cluster.","Inorganic chemistry","2016","55","17","8493","8501","10.1021/acs.inorgchem.6b01071","","","0.71073","MoKα","","0.2153","0.1035","","","0.2759","0.3603","","","","","","1.024","","","","has coordinates,has disorder","232810","2020-10-21","18:00:00",""
"4348184","15.036","0.004","15.163","0.004","39.981","0.01","90","","92.091","0.003","90","","9109","4","173","2","173.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C57 H135 Ca Cl O33 Ti11 -","- C57 H135 Ca Cl O33 Ti11 -","- C228 H540 Ca4 Cl4 O132 Ti44 -","4","1","","Hu, Junyi; Zhan, Lijie; Zhang, Guanyun; Zhang, Qun; Du, Lin; Tung, Chen-Ho; Wang, Yifeng","Effects of Substitutional Dopants on the Photoresponse of a Polyoxotitanate Cluster.","Inorganic chemistry","2016","55","17","8493","8501","10.1021/acs.inorgchem.6b01071","","","0.71073","MoKα","","0.1975","0.0823","","","0.213","0.2747","","","","","","1.03","","","","has coordinates","232810","2020-10-21","18:00:00",""
"4348185","26.4617","0.0009","14.9124","0.0006","24.3861","0.001","90","","90","","90","","9622.9","0.6","173","2","173.15","","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C60 H141 Br Ca O34 Ti11 -","- C60 H141 Br Ca O34 Ti11 -","- C240 H564 Br4 Ca4 O136 Ti44 -","4","1","","Hu, Junyi; Zhan, Lijie; Zhang, Guanyun; Zhang, Qun; Du, Lin; Tung, Chen-Ho; Wang, Yifeng","Effects of Substitutional Dopants on the Photoresponse of a Polyoxotitanate Cluster.","Inorganic chemistry","2016","55","17","8493","8501","10.1021/acs.inorgchem.6b01071","","","0.71073","MoKα","","0.1592","0.0681","","","0.136","0.1746","","","","","","1.058","","","","has coordinates,has disorder","232810","2020-10-21","18:00:00",""
"4348186","15.044","0.004","13.924","0.004","20.85","0.005","90","","90.041","0.002","90","","4368","2","173","2","173.15","","","","","","","","","6","P 1 n 1","P -2yac","7","","","","- C54 H127 Cl O32 Ti11 Zn -","- C54 H127 Cl O32 Ti11 Zn -","- C108 H254 Cl2 O64 Ti22 Zn2 -","2","1","","Hu, Junyi; Zhan, Lijie; Zhang, Guanyun; Zhang, Qun; Du, Lin; Tung, Chen-Ho; Wang, Yifeng","Effects of Substitutional Dopants on the Photoresponse of a Polyoxotitanate Cluster.","Inorganic chemistry","2016","55","17","8493","8501","10.1021/acs.inorgchem.6b01071","","","0.71073","MoKα","","0.0941","0.0561","","","0.1282","0.1479","","","","","","1.033","","","","has coordinates","232810","2020-10-21","18:00:00",""
"4348187","15.0608","0.0004","13.9572","0.0005","20.8997","0.0006","90","","90","","90","","4393.3","0.2","173","2","173.15","","","","","","","","","6","P 1 n 1","P -2yac","7","","","","- C51 H119 Br O31 Ti11 Zn -","- C51 H119 Br O31 Ti11 Zn -","- C102 H238 Br2 O62 Ti22 Zn2 -","2","1","","Hu, Junyi; Zhan, Lijie; Zhang, Guanyun; Zhang, Qun; Du, Lin; Tung, Chen-Ho; Wang, Yifeng","Effects of Substitutional Dopants on the Photoresponse of a Polyoxotitanate Cluster.","Inorganic chemistry","2016","55","17","8493","8501","10.1021/acs.inorgchem.6b01071","","","0.71073","MoKα","","0.1133","0.0534","","","0.1129","0.1243","","","","","","0.824","","","","has coordinates","232810","2020-10-21","18:00:00",""
"4348188","20.979","0.009","13.904","0.006","15.104","0.006","90","","90","","90","","4406","3","173","2","173.15","","","","","","","","","6","P 1 n 1","P -2yac","7","","","","- C51 H119 Cd Cl O31 Ti11 -","- C51 H119 Cd Cl O31 Ti11 -","- C102 H238 Cd2 Cl2 O62 Ti22 -","2","1","","Hu, Junyi; Zhan, Lijie; Zhang, Guanyun; Zhang, Qun; Du, Lin; Tung, Chen-Ho; Wang, Yifeng","Effects of Substitutional Dopants on the Photoresponse of a Polyoxotitanate Cluster.","Inorganic chemistry","2016","55","17","8493","8501","10.1021/acs.inorgchem.6b01071","","","0.71073","MoKα","","0.0715","0.0472","","","0.1135","0.1203","","","","","","0.892","","","","has coordinates,has disorder","232810","2020-10-21","18:00:00",""
"4348189","15.081","0.004","13.925","0.003","20.958","0.005","90","","90","","90","","4401.2","1.8","173","2","173.15","","","","","","","","","6","P 1 n 1","P -2yac","7","","","","- C51 H119 Br Cd O31 Ti11 -","- C51 H119 Br Cd O31 Ti11 -","- C102 H238 Br2 Cd2 O62 Ti22 -","2","1","","Hu, Junyi; Zhan, Lijie; Zhang, Guanyun; Zhang, Qun; Du, Lin; Tung, Chen-Ho; Wang, Yifeng","Effects of Substitutional Dopants on the Photoresponse of a Polyoxotitanate Cluster.","Inorganic chemistry","2016","55","17","8493","8501","10.1021/acs.inorgchem.6b01071","","","0.71073","MoKα","","0.0901","0.0556","","","0.1237","0.1326","","","","","","0.888","","","","has coordinates,has disorder","232810","2020-10-21","18:00:00",""
"4348193","12.237","0.003","17.603","0.004","18.068","0.004","63.374","0.009","84.751","0.01","80.344","0.01","3429.4","1.4","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C26 H21 F18 Gd N O8 -","- C26 H21 F18 Gd N O8 -","- C104 H84 F72 Gd4 N4 O32 -","4","2","","Kanetomo, Takuya; Yoshitake, Toru; Ishida, Takayuki","Strongest Ferromagnetic Coupling in Designed Gadolinium(III)-Nitroxide Coordination Compounds.","Inorganic chemistry","2016","55","16","8140","8146","10.1021/acs.inorgchem.6b01072","","","0.71073","MoKα","","","0.0603","","","","0.1788","","","","","","1.011","","","","has coordinates","232813","2020-10-21","18:00:00",""
"4348195","12.6","0.004","16.415","0.005","17.768","0.005","67.165","0.01","78.935","0.011","80.124","0.011","3304.8","1.7","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C25 H19 F18 Gd N O8 -","- C25 H19 F18 Gd N O8 -","- C100 H76 F72 Gd4 N4 O32 -","4","2","","Kanetomo, Takuya; Yoshitake, Toru; Ishida, Takayuki","Strongest Ferromagnetic Coupling in Designed Gadolinium(III)-Nitroxide Coordination Compounds.","Inorganic chemistry","2016","55","16","8140","8146","10.1021/acs.inorgchem.6b01072","","","0.71073","MoKα","","","0.0696","","","","0.1046","","","","","","1.071","","","","has coordinates","232815","2020-10-21","18:00:00",""
"4348197","10.53","0.004","17.475","0.007","23.745","0.007","68.282","0.013","78.289","0.014","76.722","0.016","3917","2","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C30.75 H31 F18 Gd N O8 -","- C30.75 H31 F18 Gd N O8 -","- C123 H124 F72 Gd4 N4 O32 -","4","2","","Kanetomo, Takuya; Yoshitake, Toru; Ishida, Takayuki","Strongest Ferromagnetic Coupling in Designed Gadolinium(III)-Nitroxide Coordination Compounds.","Inorganic chemistry","2016","55","16","8140","8146","10.1021/acs.inorgchem.6b01072","","","0.71073","MoKα","","","0.05","","","","0.0485","","","","","","1.071","","","","has coordinates","232817","2020-10-21","18:00:00",""
"4348200","18.721","0.008","10.223","0.004","12.798","0.005","90","","90","","90","","2449.3","1.7","100","2","100","2","","","","","","","","6","I b a 2","I 2 -2c","45","","","","- C8 H22 N12 O6 S4 Zn -","- C8 H22 N12 O6 S4 Zn -","- C32 H88 N48 O24 S16 Zn4 -","4","0.5","","Vaidya, Shefali; Tewary, Subrata; Singh, Saurabh Kumar; Langley, Stuart K.; Murray, Keith S.; Lan, Yanhua; Wernsdorfer, Wolfgang; Rajaraman, Gopalan; Shanmugam, Maheswaran","What Controls the Sign and Magnitude of Magnetic Anisotropy in Tetrahedral Cobalt(II) Single-Ion Magnets?","Inorganic chemistry","2016","55","19","9564","9578","10.1021/acs.inorgchem.6b01073","","","0.71075","MoKα","","0.0693","0.0556","","","0.097","0.1072","","","","","","0.906","","","","has coordinates","232821","2020-10-21","18:00:00",""
"4348202","17.38","0.004","11.675","0.002","9.717","0.0019","90","","101.83","0.03","90","","1929.8","0.7","100","2","100","2","","","","","","","","6","P 1 c 1","P -2yc","7","","","","- C4 H16 Co N10 O7 S4 -","- C4 H18 Co N10 O7 S4 -","- C16 H72 Co4 N40 O28 S16 -","4","2","","Vaidya, Shefali; Tewary, Subrata; Singh, Saurabh Kumar; Langley, Stuart K.; Murray, Keith S.; Lan, Yanhua; Wernsdorfer, Wolfgang; Rajaraman, Gopalan; Shanmugam, Maheswaran","What Controls the Sign and Magnitude of Magnetic Anisotropy in Tetrahedral Cobalt(II) Single-Ion Magnets?","Inorganic chemistry","2016","55","19","9564","9578","10.1021/acs.inorgchem.6b01073","","","0.71073","MoKα","","0.0448","0.0383","","","0.0723","0.0752","","","","","","0.98","","","","has coordinates","232823","2020-10-21","18:00:00",""
"4348204","11.0016","0.0017","11.0693","0.0019","30.045","0.005","90","","99.965","0.004","90","","3603.7","1","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C20 H48 Cl2 Co N8 O8 S4 -","- C20 H48 Cl2 Co N8 O8 S4 -","- C80 H192 Cl8 Co4 N32 O32 S16 -","4","1","","Vaidya, Shefali; Tewary, Subrata; Singh, Saurabh Kumar; Langley, Stuart K.; Murray, Keith S.; Lan, Yanhua; Wernsdorfer, Wolfgang; Rajaraman, Gopalan; Shanmugam, Maheswaran","What Controls the Sign and Magnitude of Magnetic Anisotropy in Tetrahedral Cobalt(II) Single-Ion Magnets?","Inorganic chemistry","2016","55","19","9564","9578","10.1021/acs.inorgchem.6b01073","","","0.71073","MoKα","","0.0368","0.0298","","","0.0723","0.0755","","","","","","1.04","","","","has coordinates","232825","2020-10-21","18:00:00",""
"4348206","9.872","0.002","12.827","0.003","21.942","0.006","89.409","0.001","79.215","0.007","70.307","0.006","2565.6","1.1","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C36 H80 Cl2 Co N8 O8 S4 -","- C36 H80 Cl2 Co N8 O8 S4 -","- C72 H160 Cl4 Co2 N16 O16 S8 -","2","1","","Vaidya, Shefali; Tewary, Subrata; Singh, Saurabh Kumar; Langley, Stuart K.; Murray, Keith S.; Lan, Yanhua; Wernsdorfer, Wolfgang; Rajaraman, Gopalan; Shanmugam, Maheswaran","What Controls the Sign and Magnitude of Magnetic Anisotropy in Tetrahedral Cobalt(II) Single-Ion Magnets?","Inorganic chemistry","2016","55","19","9564","9578","10.1021/acs.inorgchem.6b01073","","","0.71073","MoKα","","0.1102","0.086","","","0.1814","0.1998","","","","","","1.135","","","","has coordinates","232827","2020-10-21","18:00:00",""
"4348209","12.68","0.003","21.788","0.004","26.086","0.004","84.313","0.007","83.401","0.013","87.921","0.015","7122","2","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C69.5 H78.5 Cl2 Co N8 O8.38 S4 -","- C69.5 H78.5 Cl2 Co N8 O8.375 S4 -","- C278 H314 Cl8 Co4 N32 O33.5 S16 -","4","2","","Vaidya, Shefali; Tewary, Subrata; Singh, Saurabh Kumar; Langley, Stuart K.; Murray, Keith S.; Lan, Yanhua; Wernsdorfer, Wolfgang; Rajaraman, Gopalan; Shanmugam, Maheswaran","What Controls the Sign and Magnitude of Magnetic Anisotropy in Tetrahedral Cobalt(II) Single-Ion Magnets?","Inorganic chemistry","2016","55","19","9564","9578","10.1021/acs.inorgchem.6b01073","","","1.54187","CuKα","","0.0865","0.073","","","0.1931","0.2112","","","","","","1.062","","","","has coordinates,has disorder","232829","2020-10-21","18:00:00",""
"4348214","12.8924","0.0004","19.8431","0.0006","20.7826","0.0006","82.912","0.003","81.025","0.003","89.725","0.002","5210.9","0.3","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C72 H160 Cl4 N16 O16 S8 Zn2 -","- C72 H160 Cl4 N16 O16 S8 Zn2 -","- C144 H320 Cl8 N32 O32 S16 Zn4 -","2","1","","Vaidya, Shefali; Tewary, Subrata; Singh, Saurabh Kumar; Langley, Stuart K.; Murray, Keith S.; Lan, Yanhua; Wernsdorfer, Wolfgang; Rajaraman, Gopalan; Shanmugam, Maheswaran","What Controls the Sign and Magnitude of Magnetic Anisotropy in Tetrahedral Cobalt(II) Single-Ion Magnets?","Inorganic chemistry","2016","55","19","9564","9578","10.1021/acs.inorgchem.6b01073","","","0.71073","MoKα","","0.074","0.0633","","","0.1651","0.1784","","","","","","1.198","","","","has coordinates,has disorder","232831","2020-10-21","18:00:00",""
"4348219","11.7278","0.0007","13.7179","0.0008","14.0559","0.0009","99.869","0.001","90.452","0.001","111.754","0.001","2062.9","0.2","218","2","218.15","","","","","","","","","5","P -1","-P 1","2","","","","- C12 H50 As6 Mn4 O23 -","- C12 H50 As6 Mn4 O23 -","- C24 H100 As12 Mn8 O46 -","2","1","","Chakov, Nicole E.; Thuijs, Annaliese E.; Wernsdorfer, Wolfgang; Rheingold, Arnold L.; Abboud, Khalil A.; Christou, George","Unusual Mn(III/IV)4 Cubane and Mn(III)16M4 (M = Ca, Sr) Looplike Clusters from the Use of Dimethylarsinic Acid.","Inorganic chemistry","2016","55","17","8468","8477","10.1021/acs.inorgchem.6b01077","","","0.71073","MoKα","","0.0549","0.0466","","","0.1454","0.15","","","","","","1.046","","","","has coordinates,has disorder","232833","2020-10-21","18:00:00",""
"4348220","21.0608","0.0013","36.802","0.002","18.5315","0.0012","90","","94.3488","0.0012","90","","14322","1.5","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C190 H269 As24 Ca4 Mn16 N15 O88 -","- C164 H230 As24 Ca4 Mn16 N2 O88 -","- C328 H460 As48 Ca8 Mn32 N4 O176 -","2","0.5","","Chakov, Nicole E.; Thuijs, Annaliese E.; Wernsdorfer, Wolfgang; Rheingold, Arnold L.; Abboud, Khalil A.; Christou, George","Unusual Mn(III/IV)4 Cubane and Mn(III)16M4 (M = Ca, Sr) Looplike Clusters from the Use of Dimethylarsinic Acid.","Inorganic chemistry","2016","55","17","8468","8477","10.1021/acs.inorgchem.6b01077","","","0.71073","MoKα","","0.1001","0.0626","","","0.157","0.1693","","","","","","1.042","","","","has coordinates,has disorder","232833","2020-10-21","18:00:00",""
"4348221","20.862","0.003","36.594","0.005","18.644","0.002","90","","101.37","0.002","90","","13954","3","173","2","173","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C192 H280 As24 Mn16 N16 O88 Sr4 -","- C160 H224 As24 Mn16 O87 Sr4 -","- C320 H448 As48 Mn32 O174 Sr8 -","2","0.5","","Chakov, Nicole E.; Thuijs, Annaliese E.; Wernsdorfer, Wolfgang; Rheingold, Arnold L.; Abboud, Khalil A.; Christou, George","Unusual Mn(III/IV)4 Cubane and Mn(III)16M4 (M = Ca, Sr) Looplike Clusters from the Use of Dimethylarsinic Acid.","Inorganic chemistry","2016","55","17","8468","8477","10.1021/acs.inorgchem.6b01077","","","0.71073","MoKα","","0.1511","0.0881","","","0.2311","0.2741","","","","","","1.015","","","","has coordinates,has disorder","232833","2020-10-21","18:00:00",""
"4348226","10.184","0.002","11.385","0.002","21.809","0.004","90.654","0.002","100.864","0.004","111.008","0.004","2309.6","0.7","93","","93","","","","","","","","","4","P -1","-P 1","2","","","","- C54 H66 As P3 -","- C54 H66 As P3 -","- C108 H132 As2 P6 -","2","1","","Chalmers, Brian A.; Meigh, Christina B. E.; Nejman, Phillip S.; Bühl, Michael; Lébl, Tomáš; Woollins, J. Derek; Slawin, Alexandra M. Z.; Kilian, Petr","Geminally Substituted Tris(acenaphthyl) and Bis(acenaphthyl) Arsines, Stibines, and Bismuthine: A Structural and Nuclear Magnetic Resonance Investigation.","Inorganic chemistry","2016","55","14","7117","7125","10.1021/acs.inorgchem.6b01079","","","0.71075","MoKα","","0.0543","0.0387","","","0.0947","0.1029","","","","","","1.028","","","","has coordinates","232836","2020-10-21","18:00:00",""
"4348227","12.015","0.002","14.963","0.002","15.989","0.003","83.741","0.007","83.381","0.006","88.61","0.007","2838.1","0.8","93","","93","","","","","","","","","4","P -1","-P 1","2","","","","- C61 H74 P3 Sb -","- C61 H74 P3 Sb -","- C122 H148 P6 Sb2 -","2","1","","Chalmers, Brian A.; Meigh, Christina B. E.; Nejman, Phillip S.; Bühl, Michael; Lébl, Tomáš; Woollins, J. Derek; Slawin, Alexandra M. Z.; Kilian, Petr","Geminally Substituted Tris(acenaphthyl) and Bis(acenaphthyl) Arsines, Stibines, and Bismuthine: A Structural and Nuclear Magnetic Resonance Investigation.","Inorganic chemistry","2016","55","14","7117","7125","10.1021/acs.inorgchem.6b01079","","","0.71075","MoKα","","0.0719","0.0645","","","0.1955","0.2053","","","","","","1.074","","","","has coordinates","232836","2020-10-21","18:00:00",""
"4348228","15.329","0.004","15.625","0.003","23.821","0.004","108.051","0.013","99.74","0.02","94.797","0.018","5290","2","93","","93","","","","","","","","","5","P -1","-P 1","2","","","","- C56 H70 Bi Cl4 P3 -","- C56 H70 Bi Cl4 P3 -","- C224 H280 Bi4 Cl16 P12 -","4","2","","Chalmers, Brian A.; Meigh, Christina B. E.; Nejman, Phillip S.; Bühl, Michael; Lébl, Tomáš; Woollins, J. Derek; Slawin, Alexandra M. Z.; Kilian, Petr","Geminally Substituted Tris(acenaphthyl) and Bis(acenaphthyl) Arsines, Stibines, and Bismuthine: A Structural and Nuclear Magnetic Resonance Investigation.","Inorganic chemistry","2016","55","14","7117","7125","10.1021/acs.inorgchem.6b01079","","","0.71075","MoKα","","0.1381","0.0777","","","0.1833","0.2149","","","","","","1.06","","","","has coordinates","232836","2020-10-21","18:00:00",""
"4348229","9.329","0.004","11.646","0.005","19.133","0.008","91.663","0.006","101.989","0.008","106.756","0.007","1938.2","1.4","93","","93","","","","","","","","","5","P -1","-P 1","2","","","","- C43 H51 As Cl2 P2 -","- C43 H51 As Cl2 P2 -","- C86 H102 As2 Cl4 P4 -","2","1","","Chalmers, Brian A.; Meigh, Christina B. E.; Nejman, Phillip S.; Bühl, Michael; Lébl, Tomáš; Woollins, J. Derek; Slawin, Alexandra M. Z.; Kilian, Petr","Geminally Substituted Tris(acenaphthyl) and Bis(acenaphthyl) Arsines, Stibines, and Bismuthine: A Structural and Nuclear Magnetic Resonance Investigation.","Inorganic chemistry","2016","55","14","7117","7125","10.1021/acs.inorgchem.6b01079","","","0.71075","MoKα","","0.1181","0.0931","","","0.2401","0.2508","","","","","","1.001","","","","has coordinates","232836","2020-10-21","18:00:00",""
"4348230","12.3925","0.0019","24.118","0.003","16.793","0.002","90","","95.78","0.003","90","","4993.6","1.2","93","","93","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C59.5 H69 P2 Sb -","- C59.5 H68.5 P2 Sb -","- C238 H274 P8 Sb4 -","4","1","","Chalmers, Brian A.; Meigh, Christina B. E.; Nejman, Phillip S.; Bühl, Michael; Lébl, Tomáš; Woollins, J. Derek; Slawin, Alexandra M. Z.; Kilian, Petr","Geminally Substituted Tris(acenaphthyl) and Bis(acenaphthyl) Arsines, Stibines, and Bismuthine: A Structural and Nuclear Magnetic Resonance Investigation.","Inorganic chemistry","2016","55","14","7117","7125","10.1021/acs.inorgchem.6b01079","","","0.71075","MoKα","","0.0227","0.0208","","","0.0574","0.0636","","","","","","1.127","","","","has coordinates","232836","2020-10-21","18:00:00",""
"4348232","25.248","0.005","7.4044","0.0018","27.293","0.006","90","","111.451","0.011","90","","4748.9","1.9","296","2","296.15","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C18 H18 Fe N12 O3 Pt -","- C18 H18 Fe N12 O3 Pt -","- C144 H144 Fe8 N96 O24 Pt8 -","8","1","","Milin, Eric; Patinec, Véronique; Triki, Smail; Bendeif, El-Eulmi; Pillet, Sébastien; Marchivie, Mathieu; Chastanet, Guillaume; Boukheddaden, Kamel","Elastic Frustration Triggering Photoinduced Hidden Hysteresis and Multistability in a Two-Dimensional Photoswitchable Hofmann-Like Spin-Crossover Metal-Organic Framework.","Inorganic chemistry","2016","55","22","11652","11661","10.1021/acs.inorgchem.6b01081","","","0.71073","MoKα","","0.0173","0.0125","","","0.0277","0.0301","","","","","","1.087","","","","has coordinates","232838","2020-10-21","18:00:00",""
"4348233","24.795","0.006","7.247","0.002","27.105","0.006","90","","111.487","0.013","90","","4532","2","120","2","120","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C18 H18 Fe N12 O3 Pt -","- C18 H18 Fe N12 O3 Pt -","- C144 H144 Fe8 N96 O24 Pt8 -","8","1","","Milin, Eric; Patinec, Véronique; Triki, Smail; Bendeif, El-Eulmi; Pillet, Sébastien; Marchivie, Mathieu; Chastanet, Guillaume; Boukheddaden, Kamel","Elastic Frustration Triggering Photoinduced Hidden Hysteresis and Multistability in a Two-Dimensional Photoswitchable Hofmann-Like Spin-Crossover Metal-Organic Framework.","Inorganic chemistry","2016","55","22","11652","11661","10.1021/acs.inorgchem.6b01081","","","0.71073","MoKα","","0.0271","0.0194","","","0.0438","0.0472","","","","","","1.094","","","","has coordinates","232838","2020-10-21","18:00:00",""
"4348234","24.7216","0.0015","7.2484","0.0003","27.06","0.002","90","","111.429","0.008","90","","4513.7","0.5","10","5","10","5","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C18 H18 Fe N12 O3 Pt -","- C18 H18 Fe N12 O3 Pt -","- C144 H144 Fe8 N96 O24 Pt8 -","8","1","","Milin, Eric; Patinec, Véronique; Triki, Smail; Bendeif, El-Eulmi; Pillet, Sébastien; Marchivie, Mathieu; Chastanet, Guillaume; Boukheddaden, Kamel","Elastic Frustration Triggering Photoinduced Hidden Hysteresis and Multistability in a Two-Dimensional Photoswitchable Hofmann-Like Spin-Crossover Metal-Organic Framework.","Inorganic chemistry","2016","55","22","11652","11661","10.1021/acs.inorgchem.6b01081","","","0.71073","MoKα","","0.1061","0.0569","","","0.0982","0.1138","","","","","","1.176","","","","has coordinates","232838","2020-10-21","18:00:00",""
"4348235","24.952","0.0019","7.3964","0.0005","27.129","0.002","90","","111.264","0.009","90","","4665.9","0.7","10","5","10","5","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C18 H18 Fe N12 O3 Pt -","- C18 H18 Fe N12 O3 Pt -","- C144 H144 Fe8 N96 O24 Pt8 -","8","1","","Milin, Eric; Patinec, Véronique; Triki, Smail; Bendeif, El-Eulmi; Pillet, Sébastien; Marchivie, Mathieu; Chastanet, Guillaume; Boukheddaden, Kamel","Elastic Frustration Triggering Photoinduced Hidden Hysteresis and Multistability in a Two-Dimensional Photoswitchable Hofmann-Like Spin-Crossover Metal-Organic Framework.","Inorganic chemistry","2016","55","22","11652","11661","10.1021/acs.inorgchem.6b01081","","","0.71073","MoKα","","0.1035","0.0622","","","0.1059","0.1191","","","","","","1.189","","","","has coordinates","232838","2020-10-21","18:00:00",""
"4348236","24.578","0.0012","7.0841","0.0002","26.8551","0.0015","90","","111.843","0.006","90","","4340.1","0.4","10","5","10","5","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C18 H18 Fe N12 O3 Pt -","- C18 H18 Fe N12 O3 Pt -","- C144 H144 Fe8 N96 O24 Pt8 -","8","1","","Milin, Eric; Patinec, Véronique; Triki, Smail; Bendeif, El-Eulmi; Pillet, Sébastien; Marchivie, Mathieu; Chastanet, Guillaume; Boukheddaden, Kamel","Elastic Frustration Triggering Photoinduced Hidden Hysteresis and Multistability in a Two-Dimensional Photoswitchable Hofmann-Like Spin-Crossover Metal-Organic Framework.","Inorganic chemistry","2016","55","22","11652","11661","10.1021/acs.inorgchem.6b01081","","","0.71073","MoKα","","0.0534","0.0268","","","0.0456","0.0565","","","","","","1.009","","","","has coordinates","232838","2020-10-21","18:00:00",""
"4348239","11.6912","0.0005","17.7653","0.0009","6.9972","0.0003","90","","102.543","0.003","90","","1418.62","0.11","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H20 Co N6 O14 -","- C24 H20 Co N6 O14 -","- C48 H40 Co2 N12 O28 -","2","0.5","","Roy, Subhadip; Oyarzabal, Itziar; Vallejo, Julia; Cano, Joan; Colacio, Enrique; Bauza, Antonio; Frontera, Antonio; Kirillov, Alexander M.; Drew, Michael G. B.; Das, Subrata","Two Polymorphic Forms of a Six-Coordinate Mononuclear Cobalt(II) Complex with Easy-Plane Anisotropy: Structural Features, Theoretical Calculations, and Field-Induced Slow Relaxation of the Magnetization.","Inorganic chemistry","2016","55","17","8502","8513","10.1021/acs.inorgchem.6b01087","","","0.71073","MoKα","","0.0605","0.037","","","0.0899","0.0991","","","","","","1.045","","","","has coordinates","232840","2020-10-21","18:00:00",""
"4348242","22.228","0.004","17.2","0.004","7.4727","0.0016","90","","97.205","0.016","90","","2834.4","1","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C24 H20 Co N6 O14 -","- C24 H20 Co N6 O14 -","- C96 H80 Co4 N24 O56 -","4","0.5","","Roy, Subhadip; Oyarzabal, Itziar; Vallejo, Julia; Cano, Joan; Colacio, Enrique; Bauza, Antonio; Frontera, Antonio; Kirillov, Alexander M.; Drew, Michael G. B.; Das, Subrata","Two Polymorphic Forms of a Six-Coordinate Mononuclear Cobalt(II) Complex with Easy-Plane Anisotropy: Structural Features, Theoretical Calculations, and Field-Induced Slow Relaxation of the Magnetization.","Inorganic chemistry","2016","55","17","8502","8513","10.1021/acs.inorgchem.6b01087","","","0.71073","MoKα","","0.1151","0.0865","","","0.2189","0.2525","","","","","","1.135","","","","has coordinates","232842","2020-10-21","18:00:00",""
"4348244","12.9962","0.0006","23.5193","0.0011","17.3109","0.0008","90","","135.699","0.0041","90","","3695.6","0.4","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C32 H35 Cl2 Fe N9 O8 -","- C32 H35 Cl2 Fe N9 O8 -","- C128 H140 Cl8 Fe4 N36 O32 -","4","1","","Lakk-Bogáth, Dóra; Csonka, Róbert; Speier, Gábor; Réglier, Marius; Simaan, A. Jalila; Naubron, Jean-Valère; Giorgi, Michel; Lázár, Károly; Kaizer, József","Formation, Characterization, and Reactivity of a Nonheme Oxoiron(IV) Complex Derived from the Chiral Pentadentate Ligand asN4Py.","Inorganic chemistry","2016","55","20","10090","10093","10.1021/acs.inorgchem.6b01089","","x-ray","0.71073","MoKα","","0.1226","0.0816","","","0.2055","0.2329","","","","","","1.046","","","","has coordinates","288248","2023-12-12","12:55:27",""
"4348245","8.6788","0.0006","8.8994","0.0004","13.9946","0.0009","102.349","0.005","104.313","0.006","95.215","0.005","1011.24","0.11","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- C24 H23 N5 -","- C24 H23 N5 -","- C48 H46 N10 -","2","1","","Lakk-Bogáth, Dóra; Csonka, Róbert; Speier, Gábor; Réglier, Marius; Simaan, A. Jalila; Naubron, Jean-Valère; Giorgi, Michel; Lázár, Károly; Kaizer, József","Formation, Characterization, and Reactivity of a Nonheme Oxoiron(IV) Complex Derived from the Chiral Pentadentate Ligand asN4Py.","Inorganic chemistry","2016","55","20","10090","10093","10.1021/acs.inorgchem.6b01089","","x-ray","0.71073","MoKα","","0.1081","0.0582","","","0.109","0.1281","","","","","","1.088","","","","has coordinates","288248","2023-12-12","12:55:27",""
"4348252","9.559","0.0005","9.9126","0.0007","13.401","0.0007","99.547","0.002","95.713","0.002","112.439","0.001","1138.79","0.12","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C26 H20 Au Cl N3 P -","- C26 H20 Au Cl N3 P -","- C52 H40 Au2 Cl2 N6 P2 -","2","1","","Choubey, Bimba; Radhakrishna, Latchupatula; Mague, Joel T.; Balakrishna, Maravanji S.","Two Triazole-Based Phosphine Ligands Prepared via Temperature-Mediated Li/H Exchange: Cu(I) and Au(I) Complexes and Structural Studies.","Inorganic chemistry","2016","55","17","8514","8526","10.1021/acs.inorgchem.6b01094","","","0.71073","MoKα","","0.0196","0.0182","","","0.0454","0.0459","","","","","","1.068","","","","has coordinates","232847","2020-10-21","18:00:00",""
"4348253","9.9687","0.0005","10.0509","0.0005","15.8649","0.001","82.6","0.005","74.265","0.005","81.68","0.004","1507.2","0.15","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C38 H28 Cl Cu N5 P -","- C38 H28 Cl Cu N5 P -","- C76 H56 Cl2 Cu2 N10 P2 -","2","1","","Choubey, Bimba; Radhakrishna, Latchupatula; Mague, Joel T.; Balakrishna, Maravanji S.","Two Triazole-Based Phosphine Ligands Prepared via Temperature-Mediated Li/H Exchange: Cu(I) and Au(I) Complexes and Structural Studies.","Inorganic chemistry","2016","55","17","8514","8526","10.1021/acs.inorgchem.6b01094","","","0.71073","MoKα","","0.0539","0.047","","","0.119","0.1243","","","","","","1.031","","","","has coordinates","232848","2020-10-21","18:00:00",""
"4348263","10.1064","0.0005","13.1454","0.0007","15.2293","0.0008","100.385","0.003","107.129","0.002","90.703","0.003","1897.23","0.17","102","2","102","2","","","","","","","","6","P -1","-P 1","2","","","","- C40 H32 Cl5 Cu N5 P -","- C40 H32 Cl5 Cu N5 P -","- C80 H64 Cl10 Cu2 N10 P2 -","2","1","","Choubey, Bimba; Radhakrishna, Latchupatula; Mague, Joel T.; Balakrishna, Maravanji S.","Two Triazole-Based Phosphine Ligands Prepared via Temperature-Mediated Li/H Exchange: Cu(I) and Au(I) Complexes and Structural Studies.","Inorganic chemistry","2016","55","17","8514","8526","10.1021/acs.inorgchem.6b01094","","","1.54178","CuKα","","0.0636","0.0545","","","0.1456","0.1503","","","","","","1.058","","","","has coordinates","232850","2020-10-21","18:00:00",""
"4348264","10.1081","0.001","10.2599","0.001","16.0076","0.0015","82.718","0.0013","73.646","0.0013","81.978","0.0013","1570.7","0.3","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","Bromido(1,10-phenanthroline-κ^2^<i>N,N'</i>)(5- (diphenylphosphanyl)-1,4-diphenyl-1H-1,2,3-triazole- κ<i>P</i>)copper(I)","","- C38 H28 Br Cu N5 P -","- C38 H28 Br Cu N5 P -","- C76 H56 Br2 Cu2 N10 P2 -","2","1","","Choubey, Bimba; Radhakrishna, Latchupatula; Mague, Joel T.; Balakrishna, Maravanji S.","Two Triazole-Based Phosphine Ligands Prepared via Temperature-Mediated Li/H Exchange: Cu(I) and Au(I) Complexes and Structural Studies.","Inorganic chemistry","2016","55","17","8514","8526","10.1021/acs.inorgchem.6b01094","","","0.71073","MoKα","","0.0355","0.0293","","","0.076","0.0793","","","","","","1.04","","","","has coordinates","232851","2020-10-21","18:00:00",""
"4348266","9.842","0.003","14.101","0.004","16.584","0.005","90","","95.314","0.007","90","","2291.7","1.2","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C26 H20 Cu I N3 P -","- C26 H20 Cu I N3 P -","- C104 H80 Cu4 I4 N12 P4 -","4","1","","Choubey, Bimba; Radhakrishna, Latchupatula; Mague, Joel T.; Balakrishna, Maravanji S.","Two Triazole-Based Phosphine Ligands Prepared via Temperature-Mediated Li/H Exchange: Cu(I) and Au(I) Complexes and Structural Studies.","Inorganic chemistry","2016","55","17","8514","8526","10.1021/acs.inorgchem.6b01094","","","0.71075","MoKα","","0.0238","0.0224","","","0.0525","0.0532","","","","","","1.048","","","","has coordinates","232853","2020-10-21","18:00:00",""
"4348267","10.6311","0.0005","11.0562","0.0005","14.9648","0.0007","110.036","0.0006","90.808","0.0007","114.174","0.0007","1482.92","0.12","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","Chlorido(2,2'-bipyridyl)(5-diphenylphosphanyl-1,2- diphenyl-1H-1,2,3-triazole)copper(I)","","- C36 H28 Cl Cu N5 P -","- C36 H28 Cl Cu N5 P -","- C72 H56 Cl2 Cu2 N10 P2 -","2","1","","Choubey, Bimba; Radhakrishna, Latchupatula; Mague, Joel T.; Balakrishna, Maravanji S.","Two Triazole-Based Phosphine Ligands Prepared via Temperature-Mediated Li/H Exchange: Cu(I) and Au(I) Complexes and Structural Studies.","Inorganic chemistry","2016","55","17","8514","8526","10.1021/acs.inorgchem.6b01094","","","0.71073","MoKα","","0.047","0.0363","","","0.0874","0.0938","","","","","","1.031","","","","has coordinates","232854","2020-10-21","18:00:00",""
"4348272","10.3148","0.0005","10.384","0.0005","11.6306","0.0006","78.009","0.002","75.91","0.002","76.813","0.002","1161.02","0.1","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C26 H20 Au Cl N3 P -","- C26 H20 Au Cl N3 P -","- C52 H40 Au2 Cl2 N6 P2 -","2","1","","Choubey, Bimba; Radhakrishna, Latchupatula; Mague, Joel T.; Balakrishna, Maravanji S.","Two Triazole-Based Phosphine Ligands Prepared via Temperature-Mediated Li/H Exchange: Cu(I) and Au(I) Complexes and Structural Studies.","Inorganic chemistry","2016","55","17","8514","8526","10.1021/acs.inorgchem.6b01094","","","0.71073","MoKα","","0.0182","0.0174","","","0.0415","0.0419","","","","","","1.048","","","","has coordinates","232856","2020-10-21","18:00:00",""
"4348274","10.2654","0.0007","12.6027","0.0009","22.9535","0.0016","100.688","0.001","92.727","0.0011","107.202","0.001","2770.8","0.3","150","2","150","2","","","","","","","","9","P -1","-P 1","2","","{μ-(1-[2-diphenylphosphanyl)phenyl]-4-phenyl-1H-1,2,3-triazole- 1κ^2^<i>P,N</i>; 2κ<i>N</i>}{μ-(1-[2-diphenylphosphanyl)phenyl]- 4-phenyl-1H-1,2,3-triazole-1κ<i>N</i>; 2κ^2^<i>P,N</i>}(aqua- 1κ<i>O</i>)(acetonitrile-2κ<i>N</i>)dicopper(I) tetrafluoroborate dichloromethane solvate","","- C55 H47 B2 Cl2 Cu2 F8 N7 O P2 -","- C55 H47 B2 Cl2 Cu2 F8 N7 O P2 -","- C110 H94 B4 Cl4 Cu4 F16 N14 O2 P4 -","2","1","","Choubey, Bimba; Radhakrishna, Latchupatula; Mague, Joel T.; Balakrishna, Maravanji S.","Two Triazole-Based Phosphine Ligands Prepared via Temperature-Mediated Li/H Exchange: Cu(I) and Au(I) Complexes and Structural Studies.","Inorganic chemistry","2016","55","17","8514","8526","10.1021/acs.inorgchem.6b01094","","","0.71073","MoKα","","0.073","0.0514","","","0.1278","0.1376","","","","","","1.106","","","","has coordinates","232858","2020-10-21","18:00:00",""
"4348279","13.2112","0.0014","11.1621","0.0009","14.5906","0.0014","90","","108.833","0.011","90","","2036.4","0.4","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C26 H20 N3 P -","- C26 H20 N3 P -","- C104 H80 N12 P4 -","4","1","","Choubey, Bimba; Radhakrishna, Latchupatula; Mague, Joel T.; Balakrishna, Maravanji S.","Two Triazole-Based Phosphine Ligands Prepared via Temperature-Mediated Li/H Exchange: Cu(I) and Au(I) Complexes and Structural Studies.","Inorganic chemistry","2016","55","17","8514","8526","10.1021/acs.inorgchem.6b01094","","","0.71073","MoKα","","0.0454","0.0411","","","0.1021","0.1059","","","","","","1.037","","","","has coordinates","232860","2020-10-21","18:00:00",""
"4348280","7.4106","0.0004","15.187","0.0007","19.4567","0.0009","72.029","0.001","87.871","0.001","86.28","0.001","2078.19","0.18","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C26 H20 N3 P -","- C26 H20 N3 P -","- C104 H80 N12 P4 -","4","2","","Choubey, Bimba; Radhakrishna, Latchupatula; Mague, Joel T.; Balakrishna, Maravanji S.","Two Triazole-Based Phosphine Ligands Prepared via Temperature-Mediated Li/H Exchange: Cu(I) and Au(I) Complexes and Structural Studies.","Inorganic chemistry","2016","55","17","8514","8526","10.1021/acs.inorgchem.6b01094","","","0.71073","MoKα","","0.0736","0.0534","","","0.1307","0.1463","","","","","","1.03","","","","has coordinates","232861","2020-10-21","18:00:00",""
"4348284","10.2433","0.0006","16.1714","0.001","12.1589","0.0007","90","","91.126","0.002","90","","2013.7","0.2","173","2","173","2","","","","","","","","9","P 1 21/m 1","-P 2yb","11","","","","- C26 H50 Au3 Cl2 F3 N4 O3 P2 S2 -","- C26 H50 Au3 Cl2 F3 N4 O3 P2 S2 -","- C52 H100 Au6 Cl4 F6 N8 O6 P4 S4 -","2","0.5","","Ai, Pengfei; Mauro, Matteo; Gourlaouen, Christophe; Carrara, Serena; De Cola, Luisa; Tobon, Yeny; Giovanella, Umberto; Botta, Chiara; Danopoulos, Andreas A.; Braunstein, Pierre","Bonding, Luminescence, Metallophilicity in Linear Au3 and Au2Ag Chains Stabilized by Rigid Diphosphanyl NHC Ligands.","Inorganic chemistry","2016","55","17","8527","8542","10.1021/acs.inorgchem.6b01095","","","0.71073","MoKα","","0.0354","0.0253","","","0.0564","0.061","","","","","","1.031","","","","has coordinates","232863","2020-10-21","18:00:00",""
"4348285","8.7716","0.0007","13.4707","0.0009","23.8674","0.0017","90","","92.103","0.002","90","","2818.3","0.4","173","2","173","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C40 H76 Au2 F6 N4 O6 P4 S2 -","- C40 H76 Au2 F6 N4 O6 P4 S2 -","- C80 H152 Au4 F12 N8 O12 P8 S4 -","2","0.5","","Ai, Pengfei; Mauro, Matteo; Gourlaouen, Christophe; Carrara, Serena; De Cola, Luisa; Tobon, Yeny; Giovanella, Umberto; Botta, Chiara; Danopoulos, Andreas A.; Braunstein, Pierre","Bonding, Luminescence, Metallophilicity in Linear Au3 and Au2Ag Chains Stabilized by Rigid Diphosphanyl NHC Ligands.","Inorganic chemistry","2016","55","17","8527","8542","10.1021/acs.inorgchem.6b01095","","","0.71073","MoKα","","0.0805","0.0566","","","0.127","0.1373","","","","","","1.093","","","","has coordinates","232863","2020-10-21","18:00:00",""
"4348286","10.3495","0.0005","16.4819","0.0009","11.6668","0.0005","90","","90.964","0.003","90","","1989.83","0.17","173","2","173","2","","","","","","","","9","P 1 21/m 1","-P 2yb","11","","","","- C26 H49 Au3 Cl2 F3 N3 O3 P2 S2 -","- C26 H49 Au3 Cl2 F3 N3 O3 P2 S2 -","- C52 H98 Au6 Cl4 F6 N6 O6 P4 S4 -","2","0.5","","Ai, Pengfei; Mauro, Matteo; Gourlaouen, Christophe; Carrara, Serena; De Cola, Luisa; Tobon, Yeny; Giovanella, Umberto; Botta, Chiara; Danopoulos, Andreas A.; Braunstein, Pierre","Bonding, Luminescence, Metallophilicity in Linear Au3 and Au2Ag Chains Stabilized by Rigid Diphosphanyl NHC Ligands.","Inorganic chemistry","2016","55","17","8527","8542","10.1021/acs.inorgchem.6b01095","","","0.71073","MoKα","","0.0687","0.0431","","","0.1076","0.1484","","","","","","1.122","","","","has coordinates","232863","2020-10-21","18:00:00",""
"4348296","9.7777","0.0009","14.5379","0.0013","18.5728","0.0019","90","","103.671","0.003","90","","2565.3","0.4","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C24 H16 F6 N2 O6 Pt S2 -","- C24 H16 F6 N2 O6 Pt S2 -","- C96 H64 F24 N8 O24 Pt4 S8 -","4","0.5","","Juliá, Fabio; García-Legaz, María-Dulce; Bautista, Delia; González-Herrero, Pablo","Influence of Ancillary Ligands and Isomerism on the Luminescence of Bis-cyclometalated Platinum(IV) Complexes.","Inorganic chemistry","2016","55","15","7647","7660","10.1021/acs.inorgchem.6b01100","","","0.71073","MoKα","","0.0145","0.0132","","","0.0312","0.0316","","","","","","1.118","","","","has coordinates","232867","2020-10-21","18:00:00",""
"4348297","12.7573","0.0011","13.6342","0.0012","13.0045","0.0011","90","","97.128","0.003","90","","2244.5","0.3","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C23 H18 Br2 Cl2 N2 Pt -","- C23 H18 Br2 Cl2 N2 Pt -","- C92 H72 Br8 Cl8 N8 Pt4 -","4","1","","Juliá, Fabio; García-Legaz, María-Dulce; Bautista, Delia; González-Herrero, Pablo","Influence of Ancillary Ligands and Isomerism on the Luminescence of Bis-cyclometalated Platinum(IV) Complexes.","Inorganic chemistry","2016","55","15","7647","7660","10.1021/acs.inorgchem.6b01100","","","0.71073","MoKα","","0.0525","0.0324","","","0.0558","0.0612","","","","","","1.039","","","","has coordinates","232867","2020-10-21","18:00:00",""
"4348298","9.1313","0.0006","11.5755","0.0007","13.06","0.0008","100.955","0.002","107.271","0.003","104.593","0.002","1222.16","0.14","240","2","240","2","","","","","","","","6","P -1","-P 1","2","","","","- C26 H16 F6 N2 O4 Pt -","- C26 H16 F6 N2 O4 Pt -","- C52 H32 F12 N4 O8 Pt2 -","2","1","","Juliá, Fabio; García-Legaz, María-Dulce; Bautista, Delia; González-Herrero, Pablo","Influence of Ancillary Ligands and Isomerism on the Luminescence of Bis-cyclometalated Platinum(IV) Complexes.","Inorganic chemistry","2016","55","15","7647","7660","10.1021/acs.inorgchem.6b01100","","","0.71073","MoKα","","0.0657","0.049","","","0.1205","0.1301","","","","","","1.039","","","","has coordinates,has disorder","232867","2020-10-21","18:00:00",""
"4348299","24.0111","0.0011","43.5461","0.0019","6.9271","0.0003","90","","90","","90","","7242.9","0.6","100","2","100","2","","","","","","","","5","F d d 2","F 2 -2d","43","","","","- C23 H19 F N2 Pt -","- C23 H19 F N2 Pt -","- C368 H304 F16 N32 Pt16 -","16","1","","Juliá, Fabio; García-Legaz, María-Dulce; Bautista, Delia; González-Herrero, Pablo","Influence of Ancillary Ligands and Isomerism on the Luminescence of Bis-cyclometalated Platinum(IV) Complexes.","Inorganic chemistry","2016","55","15","7647","7660","10.1021/acs.inorgchem.6b01100","","","0.71073","MoKα","","0.0216","0.0171","","","0.0263","0.0268","","","","","","1.048","","","","has coordinates","232867","2020-10-21","18:00:00",""
"4348300","8.7809","0.0008","13.9674","0.0012","15.6904","0.0015","90","","98.541","0.003","90","","1903","0.3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C23 H19 Br N2 Pt -","- C23 H19 Br N2 Pt -","- C92 H76 Br4 N8 Pt4 -","4","1","","Juliá, Fabio; García-Legaz, María-Dulce; Bautista, Delia; González-Herrero, Pablo","Influence of Ancillary Ligands and Isomerism on the Luminescence of Bis-cyclometalated Platinum(IV) Complexes.","Inorganic chemistry","2016","55","15","7647","7660","10.1021/acs.inorgchem.6b01100","","","0.71073","MoKα","","0.0294","0.0223","","","0.0419","0.0432","","","","","","1.15","","","","has coordinates,has disorder","232867","2020-10-21","18:00:00",""
"4348306","23.8874","0.0012","23.8874","0.0012","36.086","0.004","90","","90","","120","","17832","2","150","2","150","2","","","","","","","","7","R -3 :H","-R 3","148","","Bis complex of Iron(II) tris((BEDT-TTF)methylthio-4-2,2'-bipyridine PF6 salt.","","- C63 H48 F12 Fe N6 P2 S27 -","- C63 H48 Fe N6 S27 -","- C378 H288 Fe6 N36 S162 -","6","0.333333","","Wang, Qiang; Martin, Lee; Blake, Alexander J.; Day, Peter; Akutsu, Hiroki; Wallis, John D.","Coordination Chemistry of 2,2'-Bipyridyl- and 2,2':6',2″-Terpyridyl-Substituted BEDT-TTFs: Formation of a Supramolecular Capsule Motif by the Iron(II) Tris Complex of 2,2'-Bipyridine-4-thiomethyl-BEDT-TTF.","Inorganic chemistry","2016","55","17","8543","8551","10.1021/acs.inorgchem.6b01101","","","0.71073","MoKα","","0.0846","0.0538","","","0.137","0.149","","","","","","0.85","","","","has coordinates,has disorder","232869","2020-10-21","18:00:00",""
"4348307","17.2349","0.0004","17.2808","0.0004","7.9477","0.0001","90","","92.095","0.015","90","","2365.5","0.09","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(2,2'-Bipyridin-6-thiomethyl]BEDT-TTF","","- C21 H16 N2 S9 -","- C21 H16 N2 S9 -","- C84 H64 N8 S36 -","4","1","","Wang, Qiang; Martin, Lee; Blake, Alexander J.; Day, Peter; Akutsu, Hiroki; Wallis, John D.","Coordination Chemistry of 2,2'-Bipyridyl- and 2,2':6',2″-Terpyridyl-Substituted BEDT-TTFs: Formation of a Supramolecular Capsule Motif by the Iron(II) Tris Complex of 2,2'-Bipyridine-4-thiomethyl-BEDT-TTF.","Inorganic chemistry","2016","55","17","8543","8551","10.1021/acs.inorgchem.6b01101","","","0.71073","MoKα","","0.0587","0.0434","","","0.0994","0.1077","","","","","","1.022","","","","has coordinates","232869","2020-10-21","18:00:00",""
"4348310","21.426","0.008","7.889","0.004","19.961","0.013","90","","116.79","0.04","90","","3012","3","253","2","253","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C5 H16 Br5 N2 Sb -","- C5 H16 Br5 N2 Sb -","- C40 H128 Br40 N16 Sb8 -","8","2","","Mao, Chen-Yu; Liao, Wei-Qiang; Wang, Zhong-Xia; Zafar, Zainab; Li, Peng-Fei; Lv, Xing-Hui; Fu, Da-Wei","Temperature-Triggered Dielectric-Optical Duple Switch Based on an Organic-Inorganic Hybrid Phase Transition Crystal: [C5N2H16]2SbBr5.","Inorganic chemistry","2016","55","15","7661","7666","10.1021/acs.inorgchem.6b01107","","","0.71073","MoKα","","0.1708","0.146","","","0.3036","0.3203","","","","","","1.142","","","","has coordinates","232871","2020-10-21","18:00:00",""
"4348312","19.227","0.014","7.894","0.006","10.118","0.008","90","","90","","90","","1536","2","343","2","343","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C5 H16 Br5 N2 Sb -","- C5 H16 Br5 N2 Sb -","- C20 H64 Br20 N8 Sb4 -","4","0.5","","Mao, Chen-Yu; Liao, Wei-Qiang; Wang, Zhong-Xia; Zafar, Zainab; Li, Peng-Fei; Lv, Xing-Hui; Fu, Da-Wei","Temperature-Triggered Dielectric-Optical Duple Switch Based on an Organic-Inorganic Hybrid Phase Transition Crystal: [C5N2H16]2SbBr5.","Inorganic chemistry","2016","55","15","7661","7666","10.1021/acs.inorgchem.6b01107","","","0.71073","MoKα","","0.0691","0.0493","","","0.1077","0.1163","","","","","","1.074","","","","has coordinates","232873","2020-10-21","18:00:00",""
"4348316","13.919","0.004","13.681","0.004","17.101","0.004","90","","90","","90","","3256.5","1.5","153","2","153","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C5 H6 F5 N S -","- C5 H6 F5 N S -","- C80 H96 F80 N16 S16 -","16","2","","Goettel, James T.; Kostiuk, Nathan; Gerken, Michael","Interactions between SF4 and Fluoride: A Crystallographic Study of Solvolysis Products of SF4·Nitrogen-Base Adducts by HF.","Inorganic chemistry","2016","55","14","7126","7134","10.1021/acs.inorgchem.6b01112","","","0.71073","MoKα","","0.0442","0.0298","","","0.0805","0.0936","","","","","","1.093","","","","has coordinates","232875","2020-10-21","18:00:00",""
"4348317","16.366","0.011","8.794","0.006","8.842","0.006","90","","116.566","0.007","90","","1138.2","1.3","143","2","143","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C5 H7 F10 N S2 -","- C5 H6 F10 N S2 -","- C20 H24 F40 N4 S8 -","4","0.5","","Goettel, James T.; Kostiuk, Nathan; Gerken, Michael","Interactions between SF4 and Fluoride: A Crystallographic Study of Solvolysis Products of SF4·Nitrogen-Base Adducts by HF.","Inorganic chemistry","2016","55","14","7126","7134","10.1021/acs.inorgchem.6b01112","","","0.71073","MoKα","","0.073","0.0466","","","0.0963","0.1089","","","","","","1.029","","","","has coordinates,has disorder","232875","2020-10-21","18:00:00",""
"4348318","7.261","0.016","8.419","0.018","8.705","0.019","61.9","0.02","82.15","0.02","75.28","0.02","453.9","1.7","153","2","153","2","","","","","","","","5","P -1","-P 1","2","","","","- C6 H8 F5 N S -","- C6 H8 F5 N S -","- C12 H16 F10 N2 S2 -","2","1","","Goettel, James T.; Kostiuk, Nathan; Gerken, Michael","Interactions between SF4 and Fluoride: A Crystallographic Study of Solvolysis Products of SF4·Nitrogen-Base Adducts by HF.","Inorganic chemistry","2016","55","14","7126","7134","10.1021/acs.inorgchem.6b01112","","","0.71073","MoKα","","0.0344","0.0295","","","0.0831","0.0884","","","","","","1.025","","","","has coordinates","288506","2023-12-22","15:16:07",""
"4348319","19.22","0.04","7.741","0.016","4.74","0.01","90","","90","","90","","705","3","153","2","153","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C6 H9 F2 N -","- C6 H9 F2 N -","- C24 H36 F8 N4 -","4","0.5","","Goettel, James T.; Kostiuk, Nathan; Gerken, Michael","Interactions between SF4 and Fluoride: A Crystallographic Study of Solvolysis Products of SF4·Nitrogen-Base Adducts by HF.","Inorganic chemistry","2016","55","14","7126","7134","10.1021/acs.inorgchem.6b01112","","","0.71073","MoKα","","0.0541","0.0366","","","0.1016","0.1148","","","","","","1.019","","","","has coordinates","232875","2020-10-21","18:00:00",""
"4348320","7.8081","0.0016","18.207","0.004","14.352","0.003","90","","99.917","0.002","90","","2009.8","0.7","153","2","153","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C14 H20 F10 N2 S2 -","- C14 H20 F10 N2 S2 -","- C56 H80 F40 N8 S8 -","4","1","","Goettel, James T.; Kostiuk, Nathan; Gerken, Michael","Interactions between SF4 and Fluoride: A Crystallographic Study of Solvolysis Products of SF4·Nitrogen-Base Adducts by HF.","Inorganic chemistry","2016","55","14","7126","7134","10.1021/acs.inorgchem.6b01112","","","0.71073","MoKα","","0.0427","0.0384","","","0.1066","0.1106","","","","","","1.03","","","","has coordinates,has disorder","232875","2020-10-21","18:00:00",""
"4348321","8.605","0.006","20.371","0.015","16.5","0.012","90","","90.415","0.009","90","","2892","4","153","2","153","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C7 H12 F10 N2 S2 -","- C7 H12 F10 N2 S2 -","- C56 H96 F80 N16 S16 -","8","2","","Goettel, James T.; Kostiuk, Nathan; Gerken, Michael","Interactions between SF4 and Fluoride: A Crystallographic Study of Solvolysis Products of SF4·Nitrogen-Base Adducts by HF.","Inorganic chemistry","2016","55","14","7126","7134","10.1021/acs.inorgchem.6b01112","","","0.71073","MoKα","","0.0497","0.0324","","","0.0773","0.0867","","","","","","1.015","","","","has coordinates","232875","2020-10-21","18:00:00",""
"4348322","7.001","0.005","14.351","0.01","21.647","0.015","90","","96.742","0.008","90","","2160","3","153","2","153","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C15 H24 Cl2 F6 N4 S -","- C15 H24 Cl2 F6 N4 S -","- C60 H96 Cl8 F24 N16 S4 -","4","1","","Goettel, James T.; Kostiuk, Nathan; Gerken, Michael","Interactions between SF4 and Fluoride: A Crystallographic Study of Solvolysis Products of SF4·Nitrogen-Base Adducts by HF.","Inorganic chemistry","2016","55","14","7126","7134","10.1021/acs.inorgchem.6b01112","","","0.71073","MoKα","","0.0948","0.069","","","0.1721","0.1841","","","","","","1.135","","","","has coordinates,has disorder","232875","2020-10-21","18:00:00",""
"4348323","7.339","0.007","10.783","0.01","18.641","0.017","90","","90","","90","","1475","2","153","2","153","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C10 H9 F9 N2 S2 -","- C10 H9 F9 N2 S2 -","- C40 H36 F36 N8 S8 -","4","1","","Goettel, James T.; Kostiuk, Nathan; Gerken, Michael","Interactions between SF4 and Fluoride: A Crystallographic Study of Solvolysis Products of SF4·Nitrogen-Base Adducts by HF.","Inorganic chemistry","2016","55","14","7126","7134","10.1021/acs.inorgchem.6b01112","","","0.71073","MoKα","","0.0428","0.0377","","","0.0998","0.1041","","","","","","1.022","","","","has coordinates","232875","2020-10-21","18:00:00",""
"4348324","16.53","0.013","16.53","0.013","8.322","0.006","90","","90","","90","","2274","3","153","2","153","2","","","","","","","","5","P -4 21 c","P -4 2n","114","","","","- C10 H10 F18 N2 S4 -","- C10 H10 F18 N2 S4 -","- C40 H40 F72 N8 S16 -","4","0.5","","Goettel, James T.; Kostiuk, Nathan; Gerken, Michael","Interactions between SF4 and Fluoride: A Crystallographic Study of Solvolysis Products of SF4·Nitrogen-Base Adducts by HF.","Inorganic chemistry","2016","55","14","7126","7134","10.1021/acs.inorgchem.6b01112","","","0.71073","MoKα","","0.0639","0.0324","","","0.0736","0.0882","","","","","","1.054","","","","has coordinates","232875","2020-10-21","18:00:00",""
"4348330","7.016","0.0002","18.7659","0.0006","23.7144","0.0007","90","","90","","90","","3122.27","0.16","100","","100","1","","","","","","","","5","P b c m","-P 2c 2b","57","","","","- C33 H51 Co N3 O -","- C33 H51 Co N3 O -","- C132 H204 Co4 N12 O4 -","4","0.5","","Grant, Lauren N.; Carroll, Maria E.; Carroll, Patrick J.; Mindiola, Daniel J.","An Unusual Cobalt Azide Adduct That Produces a Nitrene Species for Carbon-Hydrogen Insertion Chemistry.","Inorganic chemistry","2016","55","16","7997","8002","10.1021/acs.inorgchem.6b01114","","","0.71073","MoKα","","0.0696","0.0588","","","0.1539","0.1619","","","","","","1.1","","","","has coordinates","232877","2020-10-21","18:00:00",""
"4348331","13.4981","0.0004","27.712","0.0007","9.8034","0.0003","90","","96.281","0.002","90","","3645.04","0.18","100","","100","1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C39 H56 Co N6 -","- C39 H56 Co N6 -","- C156 H224 Co4 N24 -","4","1","","Grant, Lauren N.; Carroll, Maria E.; Carroll, Patrick J.; Mindiola, Daniel J.","An Unusual Cobalt Azide Adduct That Produces a Nitrene Species for Carbon-Hydrogen Insertion Chemistry.","Inorganic chemistry","2016","55","16","7997","8002","10.1021/acs.inorgchem.6b01114","","","0.71073","MoKα","","0.1673","0.0726","","","0.1422","0.179","","","","","","0.999","","","","has coordinates","232877","2020-10-21","18:00:00",""
"4348332","6.8999","0.0004","18.8622","0.0009","23.8702","0.0011","90","","90","","90","","3106.6","0.3","100","","100","1","","","","","","","","4","C m c m","-C 2c 2","63","","","","- C36 H49 Co N3 -","- C36 H51 Co N3 -","- C144 H204 Co4 N12 -","4","0.25","","Grant, Lauren N.; Carroll, Maria E.; Carroll, Patrick J.; Mindiola, Daniel J.","An Unusual Cobalt Azide Adduct That Produces a Nitrene Species for Carbon-Hydrogen Insertion Chemistry.","Inorganic chemistry","2016","55","16","7997","8002","10.1021/acs.inorgchem.6b01114","","","0.71073","MoKα","","0.0696","0.0569","","","0.112","0.1162","","","","","","1.22","","","","has coordinates","232877","2020-10-21","18:00:00",""
"4348333","9.3711","0.0005","12.004","0.0006","15.584","0.0008","95.925","0.003","93.552","0.003","99.093","0.003","1716.3","0.15","100","","100","1","","","","","","","","4","P -1","-P 1","2","","","","- C39 H56 Co N4 -","- C39 H56 Co N4 -","- C78 H112 Co2 N8 -","2","1","","Grant, Lauren N.; Carroll, Maria E.; Carroll, Patrick J.; Mindiola, Daniel J.","An Unusual Cobalt Azide Adduct That Produces a Nitrene Species for Carbon-Hydrogen Insertion Chemistry.","Inorganic chemistry","2016","55","16","7997","8002","10.1021/acs.inorgchem.6b01114","","","0.71073","MoKα","","0.0503","0.0434","","","0.1169","0.1238","","","","","","1.101","","","","has coordinates","232877","2020-10-21","18:00:00",""
"4348336","14.646","0.003","17.632","0.004","5.372","0.0011","90","","90","","90","","1387.3","0.5","100","2","100","2","","","","","","","","4","P n a 21","P 2c -2n","33","Lead(II) acetate hemihydrate","'Lead(II) acetate hemihydrate'","","- C8 H14 O9 Pb2 -","- C8 H14 O9 Pb2 -","- C32 H56 O36 Pb8 -","4","1","","Martínez-Casado, Francisco J; Ramos-Riesco, Miguel; Rodríguez-Cheda, José A; Cucinotta, Fabio; Matesanz, Emilio; Miletto, Ivana; Gianotti, Enrica; Marchese, Leonardo; Matěj, Zdeněk","Unraveling the Decomposition Process of Lead(II) Acetate: Anhydrous Polymorphs, Hydrates, and Byproducts and Room Temperature Phosphorescence.","Inorganic chemistry","2016","55","17","8576","8586","10.1021/acs.inorgchem.6b01116","","","0.8","synchrotron","","0.0386","0.0319","","","0.081","0.086","","","","","","1.072","","","","has coordinates","232880","2020-10-21","18:00:00",""
"4348337","12.6171","0.0005","7.1137","0.0003","38.2093","0.0012","90","","99.017","0.002","90","","3387.1","0.2","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","Lead(II) acetate. polymorph alpha","'Lead(II) acetate. alpha polymorph'","","- C40 H60 O40 Pb10 -","- C40 H60 O40 Pb10 -","- C80 H120 O80 Pb20 -","2","1","","Martínez-Casado, Francisco J; Ramos-Riesco, Miguel; Rodríguez-Cheda, José A; Cucinotta, Fabio; Matesanz, Emilio; Miletto, Ivana; Gianotti, Enrica; Marchese, Leonardo; Matěj, Zdeněk","Unraveling the Decomposition Process of Lead(II) Acetate: Anhydrous Polymorphs, Hydrates, and Byproducts and Room Temperature Phosphorescence.","Inorganic chemistry","2016","55","17","8576","8586","10.1021/acs.inorgchem.6b01116","","","1.54178","CuKα","","0.0626","0.0525","","","0.13","0.1361","","","","","","1.028","","","","has coordinates","232880","2020-10-21","18:00:00",""
"4348338","4.792","0.001","7.148","0.0014","10.058","0.002","90","","99.48","0.03","90","","339.81","0.12","348","2","348","2","","","","","","","","4","P 1 21/m 1","-P 2yb","11","Lead(II) acetate. polymorph beta","'Lead(II) acetate. beta polymorph '","","- C4 H6 O4 Pb -","- C4 H6 O4 Pb -","- C8 H12 O8 Pb2 -","2","0.5","","Martínez-Casado, Francisco J; Ramos-Riesco, Miguel; Rodríguez-Cheda, José A; Cucinotta, Fabio; Matesanz, Emilio; Miletto, Ivana; Gianotti, Enrica; Marchese, Leonardo; Matěj, Zdeněk","Unraveling the Decomposition Process of Lead(II) Acetate: Anhydrous Polymorphs, Hydrates, and Byproducts and Room Temperature Phosphorescence.","Inorganic chemistry","2016","55","17","8576","8586","10.1021/acs.inorgchem.6b01116","","","0.7513","Synchrotron","","0.0863","0.0841","","","0.2297","0.2325","","","","","","1.188","","","","has coordinates","232880","2020-10-21","18:00:00",""
"4348339","10.981","0.0006","10.0872","0.0004","15.4305","0.0007","90","","97.78","0.002","90","","1693.47","0.14","293","2","293","2","","","","","","","","4","P 1 2/n 1","-P 2yac","13","Tetralead(II) dioxo tetracetate","'Tetralead(II) dioxo tetracetate'","","- C8 H12 O10 Pb4 -","- C8 H12 O10 Pb4 -","- C32 H48 O40 Pb16 -","4","1","","Martínez-Casado, Francisco J; Ramos-Riesco, Miguel; Rodríguez-Cheda, José A; Cucinotta, Fabio; Matesanz, Emilio; Miletto, Ivana; Gianotti, Enrica; Marchese, Leonardo; Matěj, Zdeněk","Unraveling the Decomposition Process of Lead(II) Acetate: Anhydrous Polymorphs, Hydrates, and Byproducts and Room Temperature Phosphorescence.","Inorganic chemistry","2016","55","17","8576","8586","10.1021/acs.inorgchem.6b01116","","","1.54178","CuKα","","0.0477","0.0452","","","0.1206","0.1231","","","","","","1.035","","","","has coordinates","232880","2020-10-21","18:00:00",""
"4348340","24.394","0.006","6.792","0.0014","13.872","0.003","90","","106.28","0.03","90","","2206.2","0.9","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","Tetralead(II) oxo hexacetate","'Tetralead(II) oxo hexacetate'","","- C12 H18 O13 Pb4 -","- C12 H18 O13 Pb4 -","- C48 H72 O52 Pb16 -","4","0.5","","Martínez-Casado, Francisco J; Ramos-Riesco, Miguel; Rodríguez-Cheda, José A; Cucinotta, Fabio; Matesanz, Emilio; Miletto, Ivana; Gianotti, Enrica; Marchese, Leonardo; Matěj, Zdeněk","Unraveling the Decomposition Process of Lead(II) Acetate: Anhydrous Polymorphs, Hydrates, and Byproducts and Room Temperature Phosphorescence.","Inorganic chemistry","2016","55","17","8576","8586","10.1021/acs.inorgchem.6b01116","","","0.7514","Synchrotron","","0.0819","0.0771","","","0.2312","0.2362","","","","","","1.142","","","","has coordinates,has disorder","232880","2020-10-21","18:00:00",""
"4348341","6.783","0.005","13.823","0.005","13.937","0.005","90","","90","","90","","1306.8","1.2","100","2","100","2","","","","","","","","4","P b a n :2","-P 2ab 2b","50","Tetralead(II) oxo hexacetate hydrate","'Tetralead(II) oxo hexacetate hydrate'","","- C12 H23 O15.5 Pb4 -","- C12 H18 O13 Pb4 -","- C24 H36 O26 Pb8 -","2","0.25","","Martínez-Casado, Francisco J; Ramos-Riesco, Miguel; Rodríguez-Cheda, José A; Cucinotta, Fabio; Matesanz, Emilio; Miletto, Ivana; Gianotti, Enrica; Marchese, Leonardo; Matěj, Zdeněk","Unraveling the Decomposition Process of Lead(II) Acetate: Anhydrous Polymorphs, Hydrates, and Byproducts and Room Temperature Phosphorescence.","Inorganic chemistry","2016","55","17","8576","8586","10.1021/acs.inorgchem.6b01116","","","0.8","synchrotron","","0.0696","0.069","","","0.1732","0.1741","","","","","","1.152","","","","has coordinates","232880","2020-10-21","18:00:00",""
"4348346","18.196","0.005","18.196","0.005","15.127","0.005","90","","90","","120","","4337","2","180","2","180","2","","","","","","","","6","P -3 1 c","-P 3 2c","163","","","","- C72 H64 Cd5 Cl10 N6 O20 -","- C72 H48 Cd5 Cl10 N6 O15 -","- C144 H96 Cd10 Cl20 N12 O30 -","2","0.166667","","Leroux, Maxime; Mercier, Nicolas; Allain, Magali; Dul, Marie-Claire; Dittmer, Jens; Kassiba, Abdel Hadi; Bellat, Jean-Pierre; Weber, Guy; Bezverkhyy, Igor","Porous Coordination Polymer Based on Bipyridinium Carboxylate Linkers with High and Reversible Ammonia Uptake.","Inorganic chemistry","2016","55","17","8587","8594","10.1021/acs.inorgchem.6b01119","","","1.54184","CuKα","","0.0439","0.0391","","","0.0972","0.1022","","","","","","1.089","","","","has coordinates","232883","2020-10-21","18:00:00",""
"4348359","30.353","0.009","4.8595","0.0013","18.323","0.005","90","","118.123","0.004","90","","2383.6","1.2","296","2","296","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C21 H33 Cd N6 O8 -","- C21 H28 Cd N6 O8 -","- C84 H112 Cd4 N24 O32 -","4","1","","Lin, Xiao-Ming; Niu, Ji-Liang; Lin, Jia; Wei, Lei-Ming; Hu, Lei; Zhang, Gang; Cai, Yue-Peng","Lithium-Ion-Battery Anode Materials with Improved Capacity from a Metal-Organic Framework.","Inorganic chemistry","2016","55","17","8244","8247","10.1021/acs.inorgchem.6b01123","","","0.71073","MoKα","","0.0784","0.0684","","","0.1788","0.193","","","","","","1.027","","","","has coordinates","232885","2020-10-21","18:00:00",""
"4348360","14.29","0.0004","16.5673","0.0005","18.7158","0.0005","116.106","0.001","94.895","0.001","104.175","0.001","3761.66","0.19","150","2","150","2","","","","","","","synthesis as described","6","P -1","-P 1","2","","","","- C104 H228 N16 O54 P12 Y4 -","- C104 H224 N16 O54 P12 Y4 -","- C104 H224 N16 O54 P12 Y4 -","1","0.5","","Le Fur, Mariane; Beyler, Maryline; Lepareur, Nicolas; Fougère, Olivier; Platas-Iglesias, Carlos; Rousseaux, Olivier; Tripier, Raphaël","Pyclen Tri-n-butylphosphonate Ester as Potential Chelator for Targeted Radiotherapy: From Yttrium(III) Complexation to (90)Y Radiolabeling.","Inorganic chemistry","2016","55","16","8003","8012","10.1021/acs.inorgchem.6b01135","","x-ray","0.71073","MoKα","","0.095","0.0562","","","0.1244","0.1422","","","","","","1.032","","","","has coordinates,has disorder","232886","2020-10-21","18:00:00",""
"4348361","14.2369","0.001","16.5506","0.0011","18.6914","0.0013","116.119","0.002","94.796","0.003","104.039","0.003","3743.6","0.5","150","2","150","2","","","","","","","synthesis as described","6","P -1","-P 1","2","","","","- C52 H114 Ho2 N8 O27 P6 -","- C52 H112 Ho2 N8 O27 P6 -","- C104 H224 Ho4 N16 O54 P12 -","2","1","","Le Fur, Mariane; Beyler, Maryline; Lepareur, Nicolas; Fougère, Olivier; Platas-Iglesias, Carlos; Rousseaux, Olivier; Tripier, Raphaël","Pyclen Tri-n-butylphosphonate Ester as Potential Chelator for Targeted Radiotherapy: From Yttrium(III) Complexation to (90)Y Radiolabeling.","Inorganic chemistry","2016","55","16","8003","8012","10.1021/acs.inorgchem.6b01135","","x-ray","0.71073","MoKα","","0.0554","0.0367","","","0.0815","0.0914","","","","","","1.043","","","","has coordinates,has disorder","232886","2020-10-21","18:00:00",""
"4348362","14.2622","0.0013","16.5121","0.0015","18.6191","0.0016","115.848","0.003","95.323","0.003","104.167","0.003","3724.8","0.6","150","2","150","2","","","","","","","synthesis as described","6","P -1","-P 1","2","","","","- C52 H114 Lu2 N8 O27 P6 -","- C52 H110 Lu2 N8 O27 P6 -","- C104 H220 Lu4 N16 O54 P12 -","2","1","","Le Fur, Mariane; Beyler, Maryline; Lepareur, Nicolas; Fougère, Olivier; Platas-Iglesias, Carlos; Rousseaux, Olivier; Tripier, Raphaël","Pyclen Tri-n-butylphosphonate Ester as Potential Chelator for Targeted Radiotherapy: From Yttrium(III) Complexation to (90)Y Radiolabeling.","Inorganic chemistry","2016","55","16","8003","8012","10.1021/acs.inorgchem.6b01135","","x-ray","0.71073","MoKα","","0.09","0.0589","","","0.148","0.1734","","","","","","1.023","","","","has coordinates,has disorder","232886","2020-10-21","18:00:00",""
"4348366","9.616","0.003","9.616","0.003","23.734","0.006","90","","90","","120","","1900.6","1","110","2","110","2","","","","","","","","5","P 61","P 61","169","","","","- C4 H12 I3 N Pb -","- C4 H12 I3 N Pb -","- C24 H72 I18 N6 Pb6 -","6","1","","Liu, Guangfeng; Liu, Jie; Sun, Zhihua; Zhang, Zhenyi; Chang, Lei; Wang, Junling; Tao, Xutang; Zhang, Qichun","Thermally Induced Reversible Double Phase Transitions in an Organic-Inorganic Hybrid Iodoplumbate C4H12NPbI3 with Symmetry Breaking.","Inorganic chemistry","2016","55","16","8025","8030","10.1021/acs.inorgchem.6b01143","","","0.71073","MoKα","","0.0519","0.0509","","","0.1404","0.1442","","","","","","1.006","","","","has coordinates","232889","2020-10-21","18:00:00",""
"4348367","9.6621","0.0016","15.84","0.003","9.6626","0.0016","90","","119.98","0.002","90","","1281","0.4","163","2","163","2","","","","","","","","5","P 1 m 1","P -2y","6","","","","- C8 H24 I6 N2 Pb2 -","- C8 H24.5 I6 N2 Pb2 -","- C16 H49 I12 N4 Pb4 -","2","1","","Liu, Guangfeng; Liu, Jie; Sun, Zhihua; Zhang, Zhenyi; Chang, Lei; Wang, Junling; Tao, Xutang; Zhang, Qichun","Thermally Induced Reversible Double Phase Transitions in an Organic-Inorganic Hybrid Iodoplumbate C4H12NPbI3 with Symmetry Breaking.","Inorganic chemistry","2016","55","16","8025","8030","10.1021/acs.inorgchem.6b01143","","","0.71073","MoKα","","0.0668","0.0664","","","0.1816","0.1821","","","","","","1.036","","","","has coordinates","232890","2020-10-21","18:00:00",""
"4348372","9.798","0.003","9.798","0.003","7.953","0.003","90","","90","","120","","661.2","0.4","293","2","293","2","","","","","","","","5","P 63/m","-P 6c","176","","","","- C4 H12 I3 N Pb -","- C3 H9 I3 N Pb -","- C6 H18 I6 N2 Pb2 -","2","0.166667","","Liu, Guangfeng; Liu, Jie; Sun, Zhihua; Zhang, Zhenyi; Chang, Lei; Wang, Junling; Tao, Xutang; Zhang, Qichun","Thermally Induced Reversible Double Phase Transitions in an Organic-Inorganic Hybrid Iodoplumbate C4H12NPbI3 with Symmetry Breaking.","Inorganic chemistry","2016","55","16","8025","8030","10.1021/acs.inorgchem.6b01143","","","0.71073","MoKα","","0.031","0.0304","","","0.078","0.0787","","","","","","0.943","","","","has coordinates,has disorder","232892","2020-10-21","18:00:00",""
"4348375","15.5622","0.0008","21.2642","0.0006","12.4986","0.0006","90","","123.33","0.007","90","","3455.7","0.4","150","","150","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C38 H50 N2 Ni O6 -","- C38 H50 N2 Ni O6 -","- C152 H200 N8 Ni4 O24 -","4","0.5","","Ambrosi, Gianluca; Formica, Mauro; Fusi, Vieri; Giorgi, Luca; Macedi, Eleonora; Micheloni, Mauro; Paoli, Paola; Rossi, Patrizia","A Biphenol-Based Chemosensor for Zn(II) and Cd(II) Metal Ions: Synthesis, Potentiometric Studies, and Crystal Structures.","Inorganic chemistry","2016","55","15","7676","7687","10.1021/acs.inorgchem.6b01145","","","0.71073","MoKα","","0.0487","0.0356","","","0.0769","0.0843","","","","","","1.038","","","","has coordinates,has disorder","232894","2020-10-21","18:00:00",""
"4348376","19.941","0.001","13.06","0.0005","12.834","0.007","90","","115.199","0.007","90","","3024.3","1.7","150","","150","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C32 H38 N2 Ni O6 -","- C32 H38 N2 Ni O6 -","- C128 H152 N8 Ni4 O24 -","4","0.5","","Ambrosi, Gianluca; Formica, Mauro; Fusi, Vieri; Giorgi, Luca; Macedi, Eleonora; Micheloni, Mauro; Paoli, Paola; Rossi, Patrizia","A Biphenol-Based Chemosensor for Zn(II) and Cd(II) Metal Ions: Synthesis, Potentiometric Studies, and Crystal Structures.","Inorganic chemistry","2016","55","15","7676","7687","10.1021/acs.inorgchem.6b01145","","","0.71073","MoKα","","0.0781","0.0483","","","0.0862","0.0962","","","","","","1.083","","","","has coordinates","232894","2020-10-21","18:00:00",""
"4348377","11.4735","0.0003","16.7897","0.0005","17.6792","0.0005","90","","90","","90","","3405.66","0.17","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C36 H44 Cd N4 O6 -","- C36 H44 Cd N4 O6 -","- C144 H176 Cd4 N16 O24 -","4","1","","Ambrosi, Gianluca; Formica, Mauro; Fusi, Vieri; Giorgi, Luca; Macedi, Eleonora; Micheloni, Mauro; Paoli, Paola; Rossi, Patrizia","A Biphenol-Based Chemosensor for Zn(II) and Cd(II) Metal Ions: Synthesis, Potentiometric Studies, and Crystal Structures.","Inorganic chemistry","2016","55","15","7676","7687","10.1021/acs.inorgchem.6b01145","","","0.71073","MoKα","","0.0816","0.0502","","","0.0857","0.0974","","","","","","1.09","","","","has coordinates","232894","2020-10-21","18:00:00",""
"4348378","12.899","0.0005","9.9207","0.0004","23.3588","0.0009","90","","101.279","0.004","90","","2931.4","0.2","150","","150","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C33 H37 Cu N3 O5 -","- C33 H37 Cu N3 O5 -","- C132 H148 Cu4 N12 O20 -","4","1","","Ambrosi, Gianluca; Formica, Mauro; Fusi, Vieri; Giorgi, Luca; Macedi, Eleonora; Micheloni, Mauro; Paoli, Paola; Rossi, Patrizia","A Biphenol-Based Chemosensor for Zn(II) and Cd(II) Metal Ions: Synthesis, Potentiometric Studies, and Crystal Structures.","Inorganic chemistry","2016","55","15","7676","7687","10.1021/acs.inorgchem.6b01145","","","0.71073","MoKα","","0.0714","0.0462","","","0.1061","0.1199","","","","","","1.08","","","","has coordinates,has disorder","232894","2020-10-21","18:00:00",""
"4348379","10.7317","0.0006","11.6234","0.0005","24.0265","0.0013","90","","102.803","0.005","90","","2922.5","0.3","150","","150","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C33 H37 N3 O5 Pd -","- C33 H37 N3 O5 Pd -","- C132 H148 N12 O20 Pd4 -","4","1","","Ambrosi, Gianluca; Formica, Mauro; Fusi, Vieri; Giorgi, Luca; Macedi, Eleonora; Micheloni, Mauro; Paoli, Paola; Rossi, Patrizia","A Biphenol-Based Chemosensor for Zn(II) and Cd(II) Metal Ions: Synthesis, Potentiometric Studies, and Crystal Structures.","Inorganic chemistry","2016","55","15","7676","7687","10.1021/acs.inorgchem.6b01145","","","0.71073","MoKα","","0.0676","0.0439","","","0.0899","0.1031","","","","","","1.037","","","","has coordinates","232894","2020-10-21","18:00:00",""
"4348384","11.376","0.0003","7.536","0.0002","11.38","0.0004","90","","101.335","0.002","90","","956.57","0.05","150","2","150","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C11 H15 Co -","- C11 H15 Co -","- C44 H60 Co4 -","4","1","","Hamilton, Jeff A.; Pugh, Thomas; Johnson, Andrew L.; Kingsley, Andrew J.; Richards, Stephen P.","Cobalt(I) Olefin Complexes: Precursors for Metal-Organic Chemical Vapor Deposition of High Purity Cobalt Metal Thin Films.","Inorganic chemistry","2016","55","14","7141","7151","10.1021/acs.inorgchem.6b01146","","","0.71073","MoKα","","0.0517","0.0296","","","0.0519","0.0564","","","","","","1.038","","","","has coordinates","232896","2020-10-21","18:00:00",""
"4348385","34.656","0.0001","5.884","0.0003","24.169","0.0004","90","0.001","131.651","0.001","90","0.001","3682.6","0.2","150","2","150","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C24 H26 Co2 -","- C24 H26 Co2 -","- C192 H208 Co16 -","8","1","","Hamilton, Jeff A.; Pugh, Thomas; Johnson, Andrew L.; Kingsley, Andrew J.; Richards, Stephen P.","Cobalt(I) Olefin Complexes: Precursors for Metal-Organic Chemical Vapor Deposition of High Purity Cobalt Metal Thin Films.","Inorganic chemistry","2016","55","14","7141","7151","10.1021/acs.inorgchem.6b01146","","","0.71073","MoKα","","0.0434","0.0287","","","0.0645","0.0707","","","","","","1.022","","","","has coordinates,has disorder","232896","2020-10-21","18:00:00",""
"4348386","11.307","0.0002","7.325","0.0001","12.623","0.0003","90","","102.883","0.001","90","","1019.17","0.03","150","2","150","2","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","","","- C26 H34 Co2 -","- C26 H34 Co2 -","- C52 H68 Co4 -","2","0.5","","Hamilton, Jeff A.; Pugh, Thomas; Johnson, Andrew L.; Kingsley, Andrew J.; Richards, Stephen P.","Cobalt(I) Olefin Complexes: Precursors for Metal-Organic Chemical Vapor Deposition of High Purity Cobalt Metal Thin Films.","Inorganic chemistry","2016","55","14","7141","7151","10.1021/acs.inorgchem.6b01146","","","0.71073","MoKα","","0.0345","0.0265","","","0.0607","0.0641","","","","","","1.067","","","","has coordinates","232896","2020-10-21","18:00:00",""
"4348397","21.0268","0.0003","21.0268","0.0003","26.4214","0.0006","90","","90","","120","","10116.6","0.3","100","2","100","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C18 H42 Mg O22 U2 -","- C18 H42 Mg O22 U2 -","- C216 H504 Mg12 O264 U24 -","12","0.666667","","Serezhkin, Viktor N.; Grigoriev, Mikhail S.; Abdulmyanov, Aleksey R.; Fedoseev, Aleksandr M.; Savchenkov, Anton V.; Serezhkina, Larisa B.","Synthesis and X-ray Crystallography of [Mg(H2O)6][AnO2(C2H5COO)3]2 (An = U, Np, or Pu).","Inorganic chemistry","2016","55","15","7688","7693","10.1021/acs.inorgchem.6b01154","","","0.71073","MoKα","","0.0245","0.0184","","","0.0325","0.0336","","","","","","1.036","","","","has coordinates","232898","2020-10-21","18:00:00",""
"4348398","21.0085","0.0004","21.0085","","26.4223","0.0005","90","","90","","120","","10099.3","0.3","100","2","100","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C18 H42 Mg Np2 O22 -","- C18 H42 Mg Np2 O22 -","- C216 H504 Mg12 Np24 O264 -","12","0.666667","","Serezhkin, Viktor N.; Grigoriev, Mikhail S.; Abdulmyanov, Aleksey R.; Fedoseev, Aleksandr M.; Savchenkov, Anton V.; Serezhkina, Larisa B.","Synthesis and X-ray Crystallography of [Mg(H2O)6][AnO2(C2H5COO)3]2 (An = U, Np, or Pu).","Inorganic chemistry","2016","55","15","7688","7693","10.1021/acs.inorgchem.6b01154","","","0.71073","MoKα","","0.0418","0.0285","","","0.0474","0.051","","","","","","1.02","","","","has coordinates","232898","2020-10-21","18:00:00",""
"4348399","21.0029","0.0002","21.0029","0.0002","26.432","0.0005","90","","90","","120","","10097.6","0.2","100","2","100","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C18 H42 Mg O22 Pu2 -","- C18 H42 Mg O22 Pu2 -","- C216 H504 Mg12 O264 Pu24 -","12","0.666667","","Serezhkin, Viktor N.; Grigoriev, Mikhail S.; Abdulmyanov, Aleksey R.; Fedoseev, Aleksandr M.; Savchenkov, Anton V.; Serezhkina, Larisa B.","Synthesis and X-ray Crystallography of [Mg(H2O)6][AnO2(C2H5COO)3]2 (An = U, Np, or Pu).","Inorganic chemistry","2016","55","15","7688","7693","10.1021/acs.inorgchem.6b01154","","","0.71073","MoKα","","0.025","0.0198","","","0.0375","0.0391","","","","","","1.017","","","","has coordinates","232898","2020-10-21","18:00:00",""
"4348402","23.101","0.0011","12.7869","0.0006","29.6524","0.0014","90","","90","","90","","8759","0.7","150","2","150","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C19 H26 Br2 N Ni O P -","- C19 H26 Br2 N Ni O P -","- C304 H416 Br32 N16 Ni16 O16 P16 -","16","2","","Jongbloed, Linda S.; García-López, Diego; van Heck, Richard; Siegler, Maxime A.; Carbó, Jorge J; van der Vlugt, Jarl Ivar","Arene C(sp(2))-H Metalation at Ni(II) Modeled with a Reactive PONCPh Ligand.","Inorganic chemistry","2016","55","16","8041","8047","10.1021/acs.inorgchem.6b01162","","","0.71073","MoKα","","0.0501","0.0303","","","0.0547","0.0619","","","","","","1.092","","","","has coordinates","232901","2020-10-21","18:00:00",""
"4348403","7.8324","0.0005","12.702","0.0008","22.4682","0.0015","90","","90","","90","","2235.3","0.2","150","2","150","2","","","","","","","","9","P 21 21 21","P 2ac 2ab","19","","","","- C19 H26 B Br F4 N Ni O P -","- C19 H26 B Br F4 N Ni O P -","- C76 H104 B4 Br4 F16 N4 Ni4 O4 P4 -","4","1","","Jongbloed, Linda S.; García-López, Diego; van Heck, Richard; Siegler, Maxime A.; Carbó, Jorge J; van der Vlugt, Jarl Ivar","Arene C(sp(2))-H Metalation at Ni(II) Modeled with a Reactive PONCPh Ligand.","Inorganic chemistry","2016","55","16","8041","8047","10.1021/acs.inorgchem.6b01162","","","0.71073","MoKα","","0.0516","0.0434","","","0.0901","0.0947","","","","","","1.131","","","","has coordinates,has disorder","232902","2020-10-21","18:00:00",""
"4348412","10.3975","0.0003","31.1662","0.001","12.4348","0.0004","90","","103.285","0.001","90","","3921.7","0.2","150","2","150","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C19 H25 Br N Ni O P -","- C19 H25 Br N Ni O P -","- C152 H200 Br8 N8 Ni8 O8 P8 -","8","2","","Jongbloed, Linda S.; García-López, Diego; van Heck, Richard; Siegler, Maxime A.; Carbó, Jorge J; van der Vlugt, Jarl Ivar","Arene C(sp(2))-H Metalation at Ni(II) Modeled with a Reactive PONCPh Ligand.","Inorganic chemistry","2016","55","16","8041","8047","10.1021/acs.inorgchem.6b01162","","","0.71073","MoKα","","0.082","0.0421","","","0.0706","0.0809","","","","","","0.99","","","","has coordinates","232904","2020-10-21","18:00:00",""
"4348421","8.8801","0.0015","13.671","0.002","19.655","0.003","90","","97.227","0.003","90","","2367.2","0.6","173","2","173","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C16 H25 F6 N4 O6 P S2 -","- C16 H25 F6 N4 O6 P S2 -","- C64 H100 F24 N16 O24 P4 S8 -","4","0.5","","Macdonald, Charles L. B.; Binder, Justin F.; Swidan, Ala'aeddeen; Nguyen, Jennifer H.; Kosnik, Stephanie C.; Ellis, Bobby D.","Convenient Preparation and Detailed Analysis of a Series of NHC-Stabilized Phosphorus(I) Dyes and Their Derivatives.","Inorganic chemistry","2016","55","14","7152","7166","10.1021/acs.inorgchem.6b01163","","","0.71073","MoKα","","0.1089","0.0778","","","0.1722","0.1934","","","","","","1.059","","","","has coordinates,has disorder","232907","2020-10-21","18:00:00",""
"4348424","20.0956","0.0007","20.0956","0.0007","18.3456","0.0007","90","","90","","90","","7408.6","0.5","173","2","173","2","","","","","","","","5","I 41 c d","I 4bw -2c","110","","","","- C18 H20 Br N4 P -","- C18 H20 Br N4 P -","- C288 H320 Br16 N64 P16 -","16","1","","Macdonald, Charles L. B.; Binder, Justin F.; Swidan, Ala'aeddeen; Nguyen, Jennifer H.; Kosnik, Stephanie C.; Ellis, Bobby D.","Convenient Preparation and Detailed Analysis of a Series of NHC-Stabilized Phosphorus(I) Dyes and Their Derivatives.","Inorganic chemistry","2016","55","14","7152","7166","10.1021/acs.inorgchem.6b01163","","","0.71073","MoKα","","0.0374","0.0258","","","0.0494","0.0535","","","","","","1.059","","","","has coordinates","232909","2020-10-21","18:00:00",""
"4348427","9.6887","0.0008","29.759","0.003","11.3473","0.0009","90","","92.616","0.002","90","","3268.3","0.5","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C38 H44 B N4 P -","- C38 H44 B N4 P -","- C152 H176 B4 N16 P4 -","4","1","","Macdonald, Charles L. B.; Binder, Justin F.; Swidan, Ala'aeddeen; Nguyen, Jennifer H.; Kosnik, Stephanie C.; Ellis, Bobby D.","Convenient Preparation and Detailed Analysis of a Series of NHC-Stabilized Phosphorus(I) Dyes and Their Derivatives.","Inorganic chemistry","2016","55","14","7152","7166","10.1021/acs.inorgchem.6b01163","","","0.71073","MoKα","","0.0973","0.0684","","","0.1201","0.1298","","","","","","1.155","","","","has coordinates","232911","2020-10-21","18:00:00",""
"4348428","20.788","0.0016","12.8659","0.0007","14.3885","0.0009","90","","90","","90","","3848.3","0.4","173","2","173","2","","","","","","","","6","F d d 2","F 2 -2d","43","","","","- C14 H24 Br N4 P S2 -","- C14 H24 Br N4 P S2 -","- C112 H192 Br8 N32 P8 S16 -","8","0.5","","Macdonald, Charles L. B.; Binder, Justin F.; Swidan, Ala'aeddeen; Nguyen, Jennifer H.; Kosnik, Stephanie C.; Ellis, Bobby D.","Convenient Preparation and Detailed Analysis of a Series of NHC-Stabilized Phosphorus(I) Dyes and Their Derivatives.","Inorganic chemistry","2016","55","14","7152","7166","10.1021/acs.inorgchem.6b01163","","","0.71073","MoKα","","0.0549","0.0347","","","0.0643","0.07","","","","","","1.024","","","","has coordinates","232912","2020-10-21","18:00:00",""
"4348438","8.2808","0.0006","14.1563","0.001","21.9892","0.0017","90","","99.477","0.002","90","","2542.5","0.3","243","2","243","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C17 H27 F6 N4 O6 P S2 -","- C17 H27 F6 N4 O6 P S2 -","- C68 H108 F24 N16 O24 P4 S8 -","4","1","","Macdonald, Charles L. B.; Binder, Justin F.; Swidan, Ala'aeddeen; Nguyen, Jennifer H.; Kosnik, Stephanie C.; Ellis, Bobby D.","Convenient Preparation and Detailed Analysis of a Series of NHC-Stabilized Phosphorus(I) Dyes and Their Derivatives.","Inorganic chemistry","2016","55","14","7152","7166","10.1021/acs.inorgchem.6b01163","","","0.71073","MoKα","","0.0795","0.0525","","","0.1194","0.1359","","","","","","1.096","","","","has coordinates,has disorder","232914","2020-10-21","18:00:00",""
"4348439","15.5193","0.0003","15.7336","0.0003","17.1506","0.0003","90","","90","","90","","4187.74","0.14","173","2","173","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C19 H20 F3 N4 O3 P S -","- C19 H20 F3 N4 O3 P S -","- C152 H160 F24 N32 O24 P8 S8 -","8","1","","Macdonald, Charles L. B.; Binder, Justin F.; Swidan, Ala'aeddeen; Nguyen, Jennifer H.; Kosnik, Stephanie C.; Ellis, Bobby D.","Convenient Preparation and Detailed Analysis of a Series of NHC-Stabilized Phosphorus(I) Dyes and Their Derivatives.","Inorganic chemistry","2016","55","14","7152","7166","10.1021/acs.inorgchem.6b01163","","","1.54178","CuKα","","0.0714","0.0509","","","0.1273","0.1418","","","","","","1.026","","","","has coordinates","232915","2020-10-21","18:00:00",""
"4348440","12.1188","0.0009","12.1188","0.0009","12.1188","0.0009","98.79","","98.79","","98.79","","1709.8","0.2","173","2","173","2","","","","","","","","5","R 3 :R","P 3*","146","","","","- C18.67 H33 Br N4.33 P -","- C18.6667 H32.9999 Br N4.33333 P -","- C56 H98.9997 Br3 N13 P3 -","3","1","","Macdonald, Charles L. B.; Binder, Justin F.; Swidan, Ala'aeddeen; Nguyen, Jennifer H.; Kosnik, Stephanie C.; Ellis, Bobby D.","Convenient Preparation and Detailed Analysis of a Series of NHC-Stabilized Phosphorus(I) Dyes and Their Derivatives.","Inorganic chemistry","2016","55","14","7152","7166","10.1021/acs.inorgchem.6b01163","","","0.71073","MoKα","","0.06","0.0484","","","0.0732","0.0779","","","","","","0.965","","","","has coordinates","232917","2020-10-21","18:00:00",""
"4348441","25.2148","0.0014","15.1025","0.0009","16.1781","0.0009","90","","95.422","0.001","90","","6133.2","0.6","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C20.5 H37 Au3 Cl5 N4 O1.5 P -","- C20.5 H37 Au3 Cl5 N4 O1.5 P -","- C164 H296 Au24 Cl40 N32 O12 P8 -","8","1","","Macdonald, Charles L. B.; Binder, Justin F.; Swidan, Ala'aeddeen; Nguyen, Jennifer H.; Kosnik, Stephanie C.; Ellis, Bobby D.","Convenient Preparation and Detailed Analysis of a Series of NHC-Stabilized Phosphorus(I) Dyes and Their Derivatives.","Inorganic chemistry","2016","55","14","7152","7166","10.1021/acs.inorgchem.6b01163","","","0.71073","MoKα","","0.0445","0.0294","","","0.0612","0.067","","","","","","1.048","","","","has coordinates","232919","2020-10-21","18:00:00",""
"4348442","7.7142","0.0004","17.3166","0.0007","17.257","0.0008","90","","90","","90","","2305.25","0.19","173","2","173","2","","","","","","","","6","P b c m","-P 2c 2b","57","","","","- C20 H23 I N5 P S2 -","- C20 H24 I N5 P S2 -","- C80 H96 I4 N20 P4 S8 -","4","0.5","","Macdonald, Charles L. B.; Binder, Justin F.; Swidan, Ala'aeddeen; Nguyen, Jennifer H.; Kosnik, Stephanie C.; Ellis, Bobby D.","Convenient Preparation and Detailed Analysis of a Series of NHC-Stabilized Phosphorus(I) Dyes and Their Derivatives.","Inorganic chemistry","2016","55","14","7152","7166","10.1021/acs.inorgchem.6b01163","","","0.71073","MoKα","","0.0216","0.0208","","","0.0546","0.0556","","","","","","1.064","","","","has coordinates","232921","2020-10-21","18:00:00",""
"4348443","16.6369","0.0006","14.6559","0.0006","16.2198","0.0006","90","","106.458","0.001","90","","3792.8","0.3","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H20 I N4 P -","- C18 H20 I N4 P -","- C144 H160 I8 N32 P8 -","8","2","","Macdonald, Charles L. B.; Binder, Justin F.; Swidan, Ala'aeddeen; Nguyen, Jennifer H.; Kosnik, Stephanie C.; Ellis, Bobby D.","Convenient Preparation and Detailed Analysis of a Series of NHC-Stabilized Phosphorus(I) Dyes and Their Derivatives.","Inorganic chemistry","2016","55","14","7152","7166","10.1021/acs.inorgchem.6b01163","","","0.71073","MoKα","","0.0279","0.0232","","","0.0547","0.0579","","","","","","1.048","","","","has coordinates","232923","2020-10-21","18:00:00",""
"4348444","9.631","0.0005","11.6495","0.0007","21.6719","0.0012","90","","102.066","0.002","90","","2377.8","0.2","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H24 I2 N5 P -","- C20 H24 I2 N5 P -","- C80 H96 I8 N20 P4 -","4","1","","Macdonald, Charles L. B.; Binder, Justin F.; Swidan, Ala'aeddeen; Nguyen, Jennifer H.; Kosnik, Stephanie C.; Ellis, Bobby D.","Convenient Preparation and Detailed Analysis of a Series of NHC-Stabilized Phosphorus(I) Dyes and Their Derivatives.","Inorganic chemistry","2016","55","14","7152","7166","10.1021/acs.inorgchem.6b01163","","","0.71073","MoKα","","0.0271","0.0221","","","0.0494","0.0513","","","","","","1.074","","","","has coordinates","232925","2020-10-21","18:00:00",""
"4348445","6.9633","0.0003","12.1035","0.0005","22.865","0.0008","90","","98.128","0.001","90","","1907.71","0.13","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H27 Br N5 P -","- C16 H27 Br N5 P -","- C64 H108 Br4 N20 P4 -","4","1","","Macdonald, Charles L. B.; Binder, Justin F.; Swidan, Ala'aeddeen; Nguyen, Jennifer H.; Kosnik, Stephanie C.; Ellis, Bobby D.","Convenient Preparation and Detailed Analysis of a Series of NHC-Stabilized Phosphorus(I) Dyes and Their Derivatives.","Inorganic chemistry","2016","55","14","7152","7166","10.1021/acs.inorgchem.6b01163","","","0.71073","MoKα","","0.0342","0.0242","","","0.0579","0.0628","","","","","","1.039","","","","has coordinates","232927","2020-10-21","18:00:00",""
"4348446","12.3507","0.0006","17.0313","0.0008","12.0847","0.0006","90","","100.871","0.002","90","","2496.4","0.2","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H40 Br N4 P -","- C22 H40 Br N4 P -","- C88 H160 Br4 N16 P4 -","4","1","","Macdonald, Charles L. B.; Binder, Justin F.; Swidan, Ala'aeddeen; Nguyen, Jennifer H.; Kosnik, Stephanie C.; Ellis, Bobby D.","Convenient Preparation and Detailed Analysis of a Series of NHC-Stabilized Phosphorus(I) Dyes and Their Derivatives.","Inorganic chemistry","2016","55","14","7152","7166","10.1021/acs.inorgchem.6b01163","","","1.54178","CuKα","","0.0333","0.0299","","","0.0734","0.0763","","","","","","1.057","","","","has coordinates","232929","2020-10-21","18:00:00",""
"4348447","11.4611","0.0005","13.1524","0.0005","13.2357","0.0006","100.725","0.002","93.311","0.002","92.065","0.002","1954.81","0.14","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C39 H46 Au B Cl3 N4 P -","- C39 H46 Au B Cl3 N4 P -","- C78 H92 Au2 B2 Cl6 N8 P2 -","2","1","","Macdonald, Charles L. B.; Binder, Justin F.; Swidan, Ala'aeddeen; Nguyen, Jennifer H.; Kosnik, Stephanie C.; Ellis, Bobby D.","Convenient Preparation and Detailed Analysis of a Series of NHC-Stabilized Phosphorus(I) Dyes and Their Derivatives.","Inorganic chemistry","2016","55","14","7152","7166","10.1021/acs.inorgchem.6b01163","","","0.71073","MoKα","","0.0349","0.0243","","","0.0406","0.0433","","","","","","1.065","","","","has coordinates","232931","2020-10-21","18:00:00",""
"4348448","10.382","0.0006","11.9178","0.0007","13.2672","0.0007","73.322","0.002","69.938","0.002","89.165","0.002","1470.66","0.15","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H39 Br N5 P -","- C28 H39 Br N5 P -","- C56 H78 Br2 N10 P2 -","2","1","","Macdonald, Charles L. B.; Binder, Justin F.; Swidan, Ala'aeddeen; Nguyen, Jennifer H.; Kosnik, Stephanie C.; Ellis, Bobby D.","Convenient Preparation and Detailed Analysis of a Series of NHC-Stabilized Phosphorus(I) Dyes and Their Derivatives.","Inorganic chemistry","2016","55","14","7152","7166","10.1021/acs.inorgchem.6b01163","","","0.71073","MoKα","","0.0412","0.0341","","","0.0874","0.0917","","","","","","1.029","","","","has coordinates","232933","2020-10-21","18:00:00",""
"4348449","8.0203","0.0004","13.807","0.0006","13.9727","0.0006","103.508","0.002","105.014","0.002","98.757","0.002","1415.34","0.11","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C22 H24 F6 N5 O6 P S2 -","- C22 H24 F6 N5 O6 P S2 -","- C44 H48 F12 N10 O12 P2 S4 -","2","1","","Macdonald, Charles L. B.; Binder, Justin F.; Swidan, Ala'aeddeen; Nguyen, Jennifer H.; Kosnik, Stephanie C.; Ellis, Bobby D.","Convenient Preparation and Detailed Analysis of a Series of NHC-Stabilized Phosphorus(I) Dyes and Their Derivatives.","Inorganic chemistry","2016","55","14","7152","7166","10.1021/acs.inorgchem.6b01163","","","1.54178","CuKα","","0.0582","0.0509","","","0.1384","0.1455","","","","","","1.084","","","","has coordinates,has disorder","232935","2020-10-21","18:00:00",""
"4348450","12.5586","0.0009","14.5318","0.0013","12.9162","0.0012","90","","94.823","0.003","90","","2348.8","0.3","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C22.72 H29.07 Br N4.36 P -","- C22.716 H29.074 Br N4.358 P -","- C90.864 H116.296 Br4 N17.432 P4 -","4","1","","Macdonald, Charles L. B.; Binder, Justin F.; Swidan, Ala'aeddeen; Nguyen, Jennifer H.; Kosnik, Stephanie C.; Ellis, Bobby D.","Convenient Preparation and Detailed Analysis of a Series of NHC-Stabilized Phosphorus(I) Dyes and Their Derivatives.","Inorganic chemistry","2016","55","14","7152","7166","10.1021/acs.inorgchem.6b01163","","","0.71073","MoKα","","0.0466","0.0371","","","0.0918","0.0978","","","","","","1.036","","","","has coordinates","232937","2020-10-21","18:00:00",""
"4348451","19.4209","0.0012","15.6957","0.0009","16.2513","0.001","90","","106.784","0.0007","90","","4742.8","0.5","88","2","88","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C54 H48 N2 Ni P2 S4 W -","- C54 H48 N2 Ni P2 S4 W -","- C216 H192 N8 Ni4 P8 S16 W4 -","4","1","","Rosenkoetter, Kyle E.; Ziller, Joseph W.; Heyduk, Alan F.","A Heterobimetallic W-Ni Complex Containing a Redox-Active W[SNS]2 Metalloligand.","Inorganic chemistry","2016","55","13","6794","6798","10.1021/acs.inorgchem.6b01164","","","0.71073","MoKα","","0.0231","0.0199","","","0.0444","0.0455","","","","","","1.041","","","","has coordinates","232939","2020-10-21","18:00:00",""
"4348452","6.3414","0.0006","7.2406","0.0007","12.0472","0.001","90.203","0.006","96.239","0.007","103.604","0.007","534.21","0.09","20","2","20","2","","","","","","","","4","P -1","-P 1","2","","","","- C18 H12 Pd S12 -","- C18 H12 Pd S12 -","- C18 H12 Pd S12 -","1","0.5","","Ogura, Satomi; Idobata, Yuki; Zhou, Biao; Kobayashi, Akiko; Takagi, Rina; Miyagawa, Kazuya; Kanoda, Kazushi; Kasai, Hidetaka; Nishibori, Eiji; Satoko, Chikatoshi; Delley, Bernard","Antiferromagnetic Ordering in the Single-Component Molecular Conductor [Pd(tmdt)2].","Inorganic chemistry","2016","55","15","7709","7716","10.1021/acs.inorgchem.6b01166","","","0.4136","synchrotron","","0.1263","0.08","","","0.195","0.2314","","","","","","1.026","","","","has coordinates","232942","2020-10-21","18:00:00",""
"4348453","6.3609","0.0006","7.2892","0.0007","12.0695","0.001","90.379","0.006","96.298","0.007","103.663","0.007","540.19","0.09","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C18 H12 Pd S12 -","- C18 H12 Pd S12 -","- C18 H12 Pd S12 -","1","0.5","","Ogura, Satomi; Idobata, Yuki; Zhou, Biao; Kobayashi, Akiko; Takagi, Rina; Miyagawa, Kazuya; Kanoda, Kazushi; Kasai, Hidetaka; Nishibori, Eiji; Satoko, Chikatoshi; Delley, Bernard","Antiferromagnetic Ordering in the Single-Component Molecular Conductor [Pd(tmdt)2].","Inorganic chemistry","2016","55","15","7709","7716","10.1021/acs.inorgchem.6b01166","","","0.4136","synchrotron","","0.1277","0.0776","","","0.1923","0.2323","","","","","","1.049","","","","has coordinates","232944","2020-10-21","18:00:00",""
"4348454","6.3433","0.0006","7.2487","0.0007","12.0472","0.001","90.256","0.006","96.25","0.007","103.62","0.007","534.9","0.09","70","2","70","2","","","","","","","","4","P -1","-P 1","2","","","","- C18 H12 Pd S12 -","- C18 H12 Pd S12 -","- C18 H12 Pd S12 -","1","0.5","","Ogura, Satomi; Idobata, Yuki; Zhou, Biao; Kobayashi, Akiko; Takagi, Rina; Miyagawa, Kazuya; Kanoda, Kazushi; Kasai, Hidetaka; Nishibori, Eiji; Satoko, Chikatoshi; Delley, Bernard","Antiferromagnetic Ordering in the Single-Component Molecular Conductor [Pd(tmdt)2].","Inorganic chemistry","2016","55","15","7709","7716","10.1021/acs.inorgchem.6b01166","","","0.4136","synchrotron","","0.1295","0.0825","","","0.1993","0.2353","","","","","","1.026","","","","has coordinates","232946","2020-10-21","18:00:00",""
"4348455","6.3704","0.0006","7.3181","0.0007","12.0808","0.001","90.468","0.006","96.332","0.007","103.677","0.007","543.55","0.09","200","2","200","2","","","","","","","","4","P -1","-P 1","2","","","","- C18 H12 Pd S12 -","- C18 H12 Pd S12 -","- C18 H12 Pd S12 -","1","0.5","","Ogura, Satomi; Idobata, Yuki; Zhou, Biao; Kobayashi, Akiko; Takagi, Rina; Miyagawa, Kazuya; Kanoda, Kazushi; Kasai, Hidetaka; Nishibori, Eiji; Satoko, Chikatoshi; Delley, Bernard","Antiferromagnetic Ordering in the Single-Component Molecular Conductor [Pd(tmdt)2].","Inorganic chemistry","2016","55","15","7709","7716","10.1021/acs.inorgchem.6b01166","","","0.4136","synchrotron","","0.1095","0.069","","","0.181","0.2165","","","","","","1.04","","","","has coordinates","232948","2020-10-21","18:00:00",""
"4348456","6.3499","0.0006","7.2662","0.0007","12.054","0.001","90.32","0.006","96.272","0.007","103.64","0.007","536.96","0.09","110","2","110","2","","","","","","","","4","P -1","-P 1","2","","","","- C18 H12 Pd S12 -","- C18 H12 Pd S12 -","- C18 H12 Pd S12 -","1","0.5","","Ogura, Satomi; Idobata, Yuki; Zhou, Biao; Kobayashi, Akiko; Takagi, Rina; Miyagawa, Kazuya; Kanoda, Kazushi; Kasai, Hidetaka; Nishibori, Eiji; Satoko, Chikatoshi; Delley, Bernard","Antiferromagnetic Ordering in the Single-Component Molecular Conductor [Pd(tmdt)2].","Inorganic chemistry","2016","55","15","7709","7716","10.1021/acs.inorgchem.6b01166","","","0.4136","synchrotron","","0.1353","0.0822","","","0.2001","0.2424","","","","","","1.036","","","","has coordinates","232951","2020-10-21","18:00:00",""
"4348457","12.1689","0.0015","16.751","0.003","17.717","0.003","59.216","0.007","70.907","0.01","75.105","0.01","2914","0.8","173","","173","","","","","","","","","5","P -1","-P 1","2","","","","- C50 H84 N2 Pd S12 -","- C50 H84 N2 Pd S12 -","- C100 H168 N4 Pd2 S24 -","2","1","","Ogura, Satomi; Idobata, Yuki; Zhou, Biao; Kobayashi, Akiko; Takagi, Rina; Miyagawa, Kazuya; Kanoda, Kazushi; Kasai, Hidetaka; Nishibori, Eiji; Satoko, Chikatoshi; Delley, Bernard","Antiferromagnetic Ordering in the Single-Component Molecular Conductor [Pd(tmdt)2].","Inorganic chemistry","2016","55","15","7709","7716","10.1021/acs.inorgchem.6b01166","","","0.71075","MoKα","","","0.0538","","","","0.0739","","","","","","1.129","","","","has coordinates","232953","2020-10-21","18:00:00",""
"4348458","6.3883","0.0006","7.3796","0.0007","12.0993","0.001","90.645","0.006","96.41","0.007","103.684","0.007","550.32","0.09","300","2","300","2","","","","","","","","4","P -1","-P 1","2","","","","- C18 H12 Pd S12 -","- C18 H12 Pd S12 -","- C18 H12 Pd S12 -","1","0.5","","Ogura, Satomi; Idobata, Yuki; Zhou, Biao; Kobayashi, Akiko; Takagi, Rina; Miyagawa, Kazuya; Kanoda, Kazushi; Kasai, Hidetaka; Nishibori, Eiji; Satoko, Chikatoshi; Delley, Bernard","Antiferromagnetic Ordering in the Single-Component Molecular Conductor [Pd(tmdt)2].","Inorganic chemistry","2016","55","15","7709","7716","10.1021/acs.inorgchem.6b01166","","","0.4136","synchrotron","","0.1303","0.0998","","","0.2552","0.2924","","","","","","1.097","","","","has coordinates","232955","2020-10-21","18:00:00",""
"4348459","20.07","0.03","12.235","0.016","20.36","0.03","90","","90","","90","","5000","12","150","2","150","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C29 H31 N3 O3 -","- C29 H31 N3 O3 -","- C232 H248 N24 O24 -","8","1","","Sinha, Sanghamitra; Chowdhury, Bijit; Ghosh, Pradyut","A Highly Sensitive ESIPT-Based Ratiometric Fluorescence Sensor for Selective Detection of Al(3.).","Inorganic chemistry","2016","55","18","9212","9220","10.1021/acs.inorgchem.6b01170","","","0.71073","MoKα","","0.0808","0.0455","","","0.1204","0.1477","","","","","","0.96","","","","has coordinates","232957","2020-10-21","18:00:00",""
"4348460","11.4466","0.0001","11.4466","0.0001","14.7076","0.0002","90","","90","","90","","1927.06","0.04","296","2","296","2","","","","","","","","5","P 43 21 2","P 4nw 2abw","96","","","","- C11 H13 Cu3 N9 O7 -","- C11 H13 Cu3 N9 O7 -","- C44 H52 Cu12 N36 O28 -","4","0.5","","Ahmed, Basil M.; Mezei, Gellert","From Ordinary to Extraordinary: Insights into the Formation Mechanism and pH-Dependent Assembly/Disassembly of Nanojars.","Inorganic chemistry","2016","55","15","7717","7728","10.1021/acs.inorgchem.6b01172","","","0.71073","MoKα","","0.0573","0.0284","","","0.0579","0.0663","","","","","","1.03","","","","has coordinates,has disorder","232960","2020-10-21","18:00:00",""
"4348461","10.141","0.0008","11.2575","0.0009","29.7","0.003","90","","90.815","0.003","90","","3390.3","0.5","120","2","120","","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C33 H28 Cl2 F2 Ir N3 O8 S2 -","- C33 H28 Cl2 F2 Ir N3 O8 S2 -","- C132 H112 Cl8 F8 Ir4 N12 O32 S8 -","4","1","","Benjamin, Helen; Zheng, Yonghao; Batsanov, Andrei S.; Fox, Mark A.; Al-Attar, Hameed A; Monkman, Andrew P.; Bryce, Martin R.","Sulfonyl-Substituted Heteroleptic Cyclometalated Iridium(III) Complexes as Blue Emitters for Solution-Processable Phosphorescent Organic Light-Emitting Diodes.","Inorganic chemistry","2016","55","17","8612","8627","10.1021/acs.inorgchem.6b01179","","","0.71073","MoKα","","0.0682","0.0419","","","0.0782","0.085","","","","","","1.035","","","","has coordinates,has disorder","232962","2020-10-21","18:00:00",""
"4348462","14.6522","0.0009","15.5667","0.001","15.8059","0.001","92.497","0.003","106.093","0.002","117.601","0.002","3006.4","0.3","120","","120","","","","","","","","","7","P -1","-P 1","2","","","","- C56 H60 Cl8 Ir N3 O10 S2 -","- C56 H60 Cl8 Ir N3 O10 S2 -","- C112 H120 Cl16 Ir2 N6 O20 S4 -","2","1","","Benjamin, Helen; Zheng, Yonghao; Batsanov, Andrei S.; Fox, Mark A.; Al-Attar, Hameed A; Monkman, Andrew P.; Bryce, Martin R.","Sulfonyl-Substituted Heteroleptic Cyclometalated Iridium(III) Complexes as Blue Emitters for Solution-Processable Phosphorescent Organic Light-Emitting Diodes.","Inorganic chemistry","2016","55","17","8612","8627","10.1021/acs.inorgchem.6b01179","","x-ray","0.71073","MoKα","","0.0731","0.0601","","","0.147","0.1588","","","","","","1.057","","","","has coordinates,has disorder","232963","2020-10-21","18:00:00",""
"4348463","16.9904","0.0008","28.4675","0.0013","11.4762","0.0005","90","","90","","90","","5550.7","0.4","120","","120","","","","","","","","","8","P 21 21 2","P 2 2ab","18","","","","- C50.75 H45 Cl5.5 F4 Ir N3 O6 S2 -","- C50.75 H45 Cl5.5 F4 Ir N3 O6 S2 -","- C203 H180 Cl22 F16 Ir4 N12 O24 S8 -","4","1","","Benjamin, Helen; Zheng, Yonghao; Batsanov, Andrei S.; Fox, Mark A.; Al-Attar, Hameed A; Monkman, Andrew P.; Bryce, Martin R.","Sulfonyl-Substituted Heteroleptic Cyclometalated Iridium(III) Complexes as Blue Emitters for Solution-Processable Phosphorescent Organic Light-Emitting Diodes.","Inorganic chemistry","2016","55","17","8612","8627","10.1021/acs.inorgchem.6b01179","","x-ray","0.71073","MoKα","","0.0561","0.0412","","","0.0868","0.0915","","","","","","1.067","","","","has coordinates,has disorder","232965","2020-10-21","18:00:00",""
"4348464","11.46263","0.00011","14.29072","0.00018","15.965","0.0002","65.7876","0.0012","84.0866","0.0009","86.4923","0.001","2371.95","0.05","120","","120","","","","","","","","","8","P -1","-P 1","2","","","","- C45 H34 Cl6 F4 Ir N3 O6 S2 -","- C45 H34 Cl6 F4 Ir N3 O6 S2 -","- C90 H68 Cl12 F8 Ir2 N6 O12 S4 -","2","1","","Benjamin, Helen; Zheng, Yonghao; Batsanov, Andrei S.; Fox, Mark A.; Al-Attar, Hameed A; Monkman, Andrew P.; Bryce, Martin R.","Sulfonyl-Substituted Heteroleptic Cyclometalated Iridium(III) Complexes as Blue Emitters for Solution-Processable Phosphorescent Organic Light-Emitting Diodes.","Inorganic chemistry","2016","55","17","8612","8627","10.1021/acs.inorgchem.6b01179","","","0.71073","MoKα","","0.0409","0.0343","","","0.0817","0.0858","","","","","","1.084","","","","has coordinates,has disorder","232967","2020-10-21","18:00:00",""
"4348465","11.0019","0.0008","28.092","0.003","10.2244","0.0009","90","","113.559","0.009","90","","2896.6","0.5","120","2","120","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C30 H20 F4 Ir N3 O6 S2 -","- C30 H20 F4 Ir N3 O6 S2 -","- C120 H80 F16 Ir4 N12 O24 S8 -","4","1","","Benjamin, Helen; Zheng, Yonghao; Batsanov, Andrei S.; Fox, Mark A.; Al-Attar, Hameed A; Monkman, Andrew P.; Bryce, Martin R.","Sulfonyl-Substituted Heteroleptic Cyclometalated Iridium(III) Complexes as Blue Emitters for Solution-Processable Phosphorescent Organic Light-Emitting Diodes.","Inorganic chemistry","2016","55","17","8612","8627","10.1021/acs.inorgchem.6b01179","","x-ray","0.71073","MoKα","K-L~3~","0.0484","0.0306","","","0.0625","0.0665","","","","","","0.903","","","","has coordinates","232969","2020-10-21","18:00:00",""
"4348466","12.6275","0.0005","15.3636","0.0005","18.6894","0.0007","90","","101.004","0.008","90","","3559.2","0.2","120","","120","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C34 H29 F2 Ir N4 O10 S4 -","- C34 H29 F2 Ir N4 O10 S4 -","- C136 H116 F8 Ir4 N16 O40 S16 -","4","1","","Benjamin, Helen; Zheng, Yonghao; Batsanov, Andrei S.; Fox, Mark A.; Al-Attar, Hameed A; Monkman, Andrew P.; Bryce, Martin R.","Sulfonyl-Substituted Heteroleptic Cyclometalated Iridium(III) Complexes as Blue Emitters for Solution-Processable Phosphorescent Organic Light-Emitting Diodes.","Inorganic chemistry","2016","55","17","8612","8627","10.1021/acs.inorgchem.6b01179","","x-ray","0.71073","MoKα","","0.0647","0.0465","","","0.1065","0.1137","","","","","","1.075","","","","has coordinates,has disorder","232970","2020-10-21","18:00:00",""
"4348467","11.5015","0.0004","32.2402","0.0012","14.441","0.0005","90","","93.375","0.001","90","","5345.6","0.3","120","","120","","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C56.85 H44.4 Cl4 F5 Ir N3 O7.85 S3 -","- C56.85 H44.4 Cl4 F5 Ir N3 O7.85 S3 -","- C227.4 H177.6 Cl16 F20 Ir4 N12 O31.4 S12 -","4","1","","Benjamin, Helen; Zheng, Yonghao; Batsanov, Andrei S.; Fox, Mark A.; Al-Attar, Hameed A; Monkman, Andrew P.; Bryce, Martin R.","Sulfonyl-Substituted Heteroleptic Cyclometalated Iridium(III) Complexes as Blue Emitters for Solution-Processable Phosphorescent Organic Light-Emitting Diodes.","Inorganic chemistry","2016","55","17","8612","8627","10.1021/acs.inorgchem.6b01179","","x-ray","0.71073","MoKα","","0.0603","0.0387","","","0.0888","0.0964","","","","","","0.977","","","","has coordinates,has disorder","232972","2020-10-21","18:00:00",""
"4348468","11.757","0.002","13.151","0.003","23.887","0.005","75.901","0.003","78.727","0.003","72.84","0.003","3392","1.2","100","","100","","","","","","","","","9","P -1","-P 1","2","","JG-1-208","","- C20 H34 Cl2 Co N Na O9 Pt S5 -","- C20 H34 Cl2 Co N Na O9 Pt S5 -","- C80 H136 Cl8 Co4 N4 Na4 O36 Pt4 S20 -","4","2","","Guillet, Jesse L.; Bhowmick, Indrani; Shores, Matthew P.; Daley, Christopher J. A.; Gembicky, Milan; Golen, James A.; Rheingold, Arnold L.; Doerrer, Linda H.","Thiocyanate-Ligated Heterobimetallic {PtM} Lantern Complexes Including a Ferromagnetically Coupled 1D Coordination Polymer.","Inorganic chemistry","2016","55","16","8099","8109","10.1021/acs.inorgchem.6b01182","","x-ray","0.71073","MoKα","K-L~3~","0.0367","0.0243","","","0.047","0.0512","","","","","","1.033","","","","has coordinates,has disorder","232975","2020-10-21","18:00:00",""
"4348469","11.8679","0.0003","12.0344","0.0005","13.1456","0.0004","75.17","0.0016","72.778","0.0013","78.416","0.0016","1717.62","0.1","200","2","200.15","","","","","","","","","9","P -1","-P 1","2","","","","- C20 H34 Cl2 N Na Ni O9 Pt S5 -","- C20 H34 Cl2 N Na Ni O9 Pt S5 -","- C40 H68 Cl4 N2 Na2 Ni2 O18 Pt2 S10 -","2","1","","Guillet, Jesse L.; Bhowmick, Indrani; Shores, Matthew P.; Daley, Christopher J. A.; Gembicky, Milan; Golen, James A.; Rheingold, Arnold L.; Doerrer, Linda H.","Thiocyanate-Ligated Heterobimetallic {PtM} Lantern Complexes Including a Ferromagnetically Coupled 1D Coordination Polymer.","Inorganic chemistry","2016","55","16","8099","8109","10.1021/acs.inorgchem.6b01182","","x-ray","0.71073","MoKα","","0.044","0.0421","","","0.1143","0.1163","","","","","","1.039","","","","has coordinates,has disorder","232975","2020-10-21","18:00:00",""
"4348470","11.8803","0.0008","12.0317","0.0008","13.1799","0.0006","75.236","0.002","72.781","0.001","78.363","0.001","1723.75","0.18","173","2","173.15","","","","","","","","","9","P -1","-P 1","2","","","","- C20 H34 Cl2 N Na O9 Pt S5 Zn -","- C20 H34 Cl2 N Na O9 Pt S5 Zn -","- C40 H68 Cl4 N2 Na2 O18 Pt2 S10 Zn2 -","2","1","","Guillet, Jesse L.; Bhowmick, Indrani; Shores, Matthew P.; Daley, Christopher J. A.; Gembicky, Milan; Golen, James A.; Rheingold, Arnold L.; Doerrer, Linda H.","Thiocyanate-Ligated Heterobimetallic {PtM} Lantern Complexes Including a Ferromagnetically Coupled 1D Coordination Polymer.","Inorganic chemistry","2016","55","16","8099","8109","10.1021/acs.inorgchem.6b01182","","x-ray","0.71073","MoKα","","0.0457","0.0373","","","0.0912","0.0972","","","","","","1.029","","","","has coordinates,has disorder","232975","2020-10-21","18:00:00",""
"4348471","27.668","0.0019","14.512","0.001","30.291","0.0019","90","","90.231","0.002","90","","12162.3","1.4","100","","100.15","","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C28 H50 Co N Na O13 Pt S5 -","- C28 H50 Co N Na O13 Pt S5 -","- C336 H600 Co12 N12 Na12 O156 Pt12 S60 -","12","3","","Guillet, Jesse L.; Bhowmick, Indrani; Shores, Matthew P.; Daley, Christopher J. A.; Gembicky, Milan; Golen, James A.; Rheingold, Arnold L.; Doerrer, Linda H.","Thiocyanate-Ligated Heterobimetallic {PtM} Lantern Complexes Including a Ferromagnetically Coupled 1D Coordination Polymer.","Inorganic chemistry","2016","55","16","8099","8109","10.1021/acs.inorgchem.6b01182","","x-ray","0.71073","MoKα","","0.0511","0.0462","","","0.1016","0.1042","","","","","","1.021","","","","has coordinates,has disorder","232975","2020-10-21","18:00:00",""
"4348472","14.4802","0.0015","30.199","0.003","27.641","0.003","90","","90","","90","","12087","2","148","2","148.15","","","","","","","","","8","P n a 21","P 2c -2n","33","","","","- C28 H50 N Na Ni O13 Pt S5 -","- C28 H50 N Na Ni O13 Pt S5 -","- C336 H600 N12 Na12 Ni12 O156 Pt12 S60 -","12","3","","Guillet, Jesse L.; Bhowmick, Indrani; Shores, Matthew P.; Daley, Christopher J. A.; Gembicky, Milan; Golen, James A.; Rheingold, Arnold L.; Doerrer, Linda H.","Thiocyanate-Ligated Heterobimetallic {PtM} Lantern Complexes Including a Ferromagnetically Coupled 1D Coordination Polymer.","Inorganic chemistry","2016","55","16","8099","8109","10.1021/acs.inorgchem.6b01182","","","0.71073","MoKα","","0.0689","0.0489","","","0.1244","0.1508","","","","","","1.126","","","","has coordinates,has disorder","232975","2020-10-21","18:00:00",""
"4348473","14.5504","0.0012","30.376","0.003","27.77","0.002","90","","90","","90","","12273.9","1.8","148","2","148.15","","","","","","","","","8","P n a 21","P 2c -2n","33","","","","- C28 H49.83 N Na O13 Pt S5 Zn -","- C28 H49.8367 N Na O13 Pt S5 Zn -","- C336 H598.04 N12 Na12 O156 Pt12 S60 Zn12 -","12","3","","Guillet, Jesse L.; Bhowmick, Indrani; Shores, Matthew P.; Daley, Christopher J. A.; Gembicky, Milan; Golen, James A.; Rheingold, Arnold L.; Doerrer, Linda H.","Thiocyanate-Ligated Heterobimetallic {PtM} Lantern Complexes Including a Ferromagnetically Coupled 1D Coordination Polymer.","Inorganic chemistry","2016","55","16","8099","8109","10.1021/acs.inorgchem.6b01182","","","0.71073","MoKα","","0.0395","0.0325","","","0.0705","0.0741","","","","","","1.056","","","","has coordinates,has disorder","232975","2020-10-21","18:00:00",""
"4348474","11.1403","0.0016","17.335","0.003","15.525","0.002","90","","93.522","0.008","90","","2992.5","0.8","100","","100","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C29 H20 Cr N O4 Pt S5 -","- C29 H20 Cr N O4 Pt S5 -","- C116 H80 Cr4 N4 O16 Pt4 S20 -","4","1","","Guillet, Jesse L.; Bhowmick, Indrani; Shores, Matthew P.; Daley, Christopher J. A.; Gembicky, Milan; Golen, James A.; Rheingold, Arnold L.; Doerrer, Linda H.","Thiocyanate-Ligated Heterobimetallic {PtM} Lantern Complexes Including a Ferromagnetically Coupled 1D Coordination Polymer.","Inorganic chemistry","2016","55","16","8099","8109","10.1021/acs.inorgchem.6b01182","","x-ray","0.71073","MoKα","","0.052","0.0336","","","0.0598","0.0638","","","","","","1.003","","","","has coordinates","232975","2020-10-21","18:00:00",""
"4348475","7.3768","0.0004","12.0798","0.0007","15.1667","0.0009","93.531","0.003","89.979","0.004","107.76","0.003","1284.41","0.13","150","2","150","2","","","","","","","","8","P -1","-P 1","2","","","","- C22 H30 B Cl F4 N2 O Pd -","- C22 H30 B0.999 Cl F3.996 N2 O Pd -","- C44 H60 B1.998 Cl2 F7.992 N4 O2 Pd2 -","2","1","","Broere, Daniël L J; van Leest, Nicolaas P.; de Bruin, Bas; Siegler, Maxime A.; van der Vlugt, Jarl Ivar","Reversible Redox Chemistry and Catalytic C(sp(3))-H Amination Reactivity of a Paramagnetic Pd Complex Bearing a Redox-Active o-Aminophenol-Derived NNO Pincer Ligand.","Inorganic chemistry","2016","55","17","8603","8611","10.1021/acs.inorgchem.6b01192","","","0.71073","MoKα","","0.0518","0.0339","","","0.0628","0.0679","","","","","","1.015","","","","has coordinates,has disorder","232978","2020-10-21","18:00:00",""
"4348476","10.4015","0.0017","11.5188","0.0019","12.28","0.002","89.149","0.002","80.014","0.002","67.328","0.002","1334.9","0.4","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C23 H30 B2 Fe N12 O -","- C23 H30 B2 Fe N12 O -","- C46 H60 B4 Fe2 N24 O2 -","2","1","","Luo, Yang-Hui; Nihei, Masayuki; Wen, Gao-Ju; Sun, Bai-Wang; Oshio, Hiroki","Ambient-Temperature Spin-State Switching Achieved by Protonation of the Amino Group in [Fe(H2Bpz2)2(bipy-NH2)].","Inorganic chemistry","2016","55","16","8147","8152","10.1021/acs.inorgchem.6b01193","","","0.71073","MoKα","","0.043","0.0332","","","0.0753","0.0785","","","","","","1.006","","","","has coordinates","232980","2020-10-21","18:00:00",""
"4348477","14.5262","0.001","8.1591","0.0006","14.4769","0.001","90","","100.438","0.004","90","","1687.4","0.2","294","2","294.64","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H21 N Se2 -","- C17 H21 N Se2 -","- C68 H84 N4 Se8 -","4","1","","Charette, Bronte J.; Ritch, Jamie S.","A Selenium-Containing Diarylamido Pincer Ligand: Synthesis and Coordination Chemistry with Group 10 Metals.","Inorganic chemistry","2016","55","12","6344","6350","10.1021/acs.inorgchem.6b01203","","","0.71073","MoKα","","0.057","0.0335","","","0.0727","0.0822","","","","","","1.057","","","","has coordinates","232983","2020-10-21","18:00:00",""
"4348478","31.4104","0.0017","8.4136","0.0005","17.2474","0.001","90","","121.645","0.003","90","","3880.3","0.4","295","2","295.52","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C17 H21 Cl2 N Pd Se2 -","- C17 H21 Cl2 N Pd Se2 -","- C136 H168 Cl16 N8 Pd8 Se16 -","8","1","","Charette, Bronte J.; Ritch, Jamie S.","A Selenium-Containing Diarylamido Pincer Ligand: Synthesis and Coordination Chemistry with Group 10 Metals.","Inorganic chemistry","2016","55","12","6344","6350","10.1021/acs.inorgchem.6b01203","","","0.71073","MoKα","","0.052","0.0261","","","0.0432","0.048","","","","","","0.967","","","","has coordinates","232983","2020-10-21","18:00:00",""
"4348479","15.1538","0.0005","9.5448","0.0003","12.7299","0.0004","90","","111.159","0.001","90","","1717.12","0.1","295","2","295.09","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C16 H18 Cl N Pd Se2 -","- C16 H18 Cl N Pd Se2 -","- C64 H72 Cl4 N4 Pd4 Se8 -","4","0.5","","Charette, Bronte J.; Ritch, Jamie S.","A Selenium-Containing Diarylamido Pincer Ligand: Synthesis and Coordination Chemistry with Group 10 Metals.","Inorganic chemistry","2016","55","12","6344","6350","10.1021/acs.inorgchem.6b01203","","","0.71073","MoKα","","0.0362","0.0232","","","0.0509","0.0605","","","","","","1.2","","","","has coordinates","232983","2020-10-21","18:00:00",""
"4348480","14.9179","0.0006","9.5125","0.0004","12.6401","0.0005","90","","110.272","0.002","90","","1682.61","0.12","150","2","150","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C16 H18 Cl N Pt Se2 -","- C16 H18 Cl N Pt Se2 -","- C64 H72 Cl4 N4 Pt4 Se8 -","4","0.5","","Charette, Bronte J.; Ritch, Jamie S.","A Selenium-Containing Diarylamido Pincer Ligand: Synthesis and Coordination Chemistry with Group 10 Metals.","Inorganic chemistry","2016","55","12","6344","6350","10.1021/acs.inorgchem.6b01203","","","0.71073","MoKα","","0.0406","0.0256","","","0.0348","0.0372","","","","","","1.091","","","","has coordinates","232983","2020-10-21","18:00:00",""
"4348481","11.2838","0.0002","15.0822","0.0003","30.4789","0.0006","90","","98.7722","0.0009","90","","5126.36","0.17","301","2","300.7","","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C50 H52 F6 N3 O6 P3 Ru S2 -","- C50 H52 F6 N3 O6 P3 Ru S2 -","- C200 H208 F24 N12 O24 P12 Ru4 S8 -","4","1","","Mendoza, Zenaida; Lorenzo-Luis, Pablo; Serrano-Ruiz, Manuel; Martín-Batista, Elva; Padrón, José M; Scalambra, Franco; Romerosa, Antonio","Synthesis and Antiproliferative Activity of [RuCp(PPh3)2(HdmoPTA)](OSO2CF3)2 (HdmoPTA = 3,7-H-3,7-Dimethyl-1,3,7-triaza-5-phosphabicyclo[3.3.1]nonane).","Inorganic chemistry","2016","55","16","7820","7822","10.1021/acs.inorgchem.6b01207","","","1.54178","CuKα","","0.0617","0.0522","","","0.1342","0.1422","","","","","","1.038","","","","has coordinates","232985","2020-10-21","18:00:00",""
"4348482","18.586","0.005","18.586","0.005","38.461","0.005","90","","90","","120","","11506","5","100","2","100","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C22 H8 Cu2 N O10 -","- C22 H8 Cu2 N O10 -","- C198 H72 Cu18 N9 O90 -","9","0.5","","De, Dinesh; Pal, Tapan K.; Bharadwaj, Parimal K.","A Porous Cu(II)-MOF with Proline Embellished Cavity: Cooperative Catalysis for the Baylis-Hillman Reaction.","Inorganic chemistry","2016","55","14","6842","6844","10.1021/acs.inorgchem.6b01211","","","0.71069","MoKα","","0.0749","0.0541","","","0.1415","0.1488","","","","","","1.1","","","","has coordinates","232987","2020-10-21","18:00:00",""
"4348483","11.9552","0.0016","14.164","0.002","18.528","0.003","107.482","0.004","90.366","0.004","109.556","0.004","2799.8","0.7","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C27 H25 F3 Mn N6 O4 S -","- C27 H25 F3 Mn N6 O4 S -","- C108 H100 F12 Mn4 N24 O16 S4 -","4","2","","Rice, Derek B.; Wijeratne, Gayan B.; Burr, Andrew D.; Parham, Joshua D.; Day, Victor W.; Jackson, Timothy A.","Steric and Electronic Influence on Proton-Coupled Electron-Transfer Reactivity of a Mononuclear Mn(III)-Hydroxo Complex.","Inorganic chemistry","2016","55","16","8110","8120","10.1021/acs.inorgchem.6b01217","","","1.54178","CuKα","","0.0543","0.0523","","","0.148","0.1498","","","","","","1.051","","","","has coordinates,has disorder","232989","2020-10-21","18:00:00",""
"4348484","8.4929","0.0005","14.2757","0.0008","27.9728","0.0016","90","","96.229","0.003","90","","3371.5","0.3","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C31 H36 F3 Mn N6 O6 S -","- C31 H36 F3 Mn N6 O6 S -","- C124 H144 F12 Mn4 N24 O24 S4 -","4","1","","Rice, Derek B.; Wijeratne, Gayan B.; Burr, Andrew D.; Parham, Joshua D.; Day, Victor W.; Jackson, Timothy A.","Steric and Electronic Influence on Proton-Coupled Electron-Transfer Reactivity of a Mononuclear Mn(III)-Hydroxo Complex.","Inorganic chemistry","2016","55","16","8110","8120","10.1021/acs.inorgchem.6b01217","","","1.54178","CuKα","","0.0678","0.0615","","","0.1692","0.1741","","","","","","1.043","","","","has coordinates","232991","2020-10-21","18:00:00",""
"4348485","9.3069","0.0002","16.4356","0.0003","15.5445","0.0003","90","","100.959","0.002","90","","2334.39","0.08","93","2","93","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C20 H30 B3 Ir N2 O8 -","- C20 H30 B3 Ir N2 O8 -","- C80 H120 B12 Ir4 N8 O32 -","4","1","","Bloomfield, Aaron J.; Matula, Adam J.; Mercado, Brandon Q.; Batista, Victor S.; Crabtree, Robert H.","Organometallic Iridium Complex Containing a Dianionic, Tridentate, Mixed Organic-Inorganic Ligand.","Inorganic chemistry","2016","55","16","8121","8129","10.1021/acs.inorgchem.6b01218","","","1.54184","CuKα","","0.0452","0.0386","","","0.1016","0.1066","","","","","","1.057","","","","has coordinates","232993","2020-10-21","18:00:00",""
"4348486","16.2718","0.0003","19.8352","0.0003","23.4803","0.0003","99.805","0.0011","109.382","0.0013","91.7165","0.0012","7013.9","0.2","110","2","110","2","","","","","","","","5","P -1","-P 1","2","","","","- C157.25 H153.43 B F24 N7 -","- C157.253 H153.432 B F24 N7 -","- C314.506 H306.864 B2 F48 N14 -","2","1","","Joslin, Evan E.; Zaragoza, Jan Paulo T.; Baglia, Regina A.; Siegler, Maxime A.; Goldberg, David P.","The Influence of Peripheral Substituent Modification on P(V), Mn(III), and Mn(V)(O) Corrolazines: X-ray Crystallography, Electrochemical and Spectroscopic Properties, and HAT and OAT Reactivities.","Inorganic chemistry","2016","55","17","8646","8660","10.1021/acs.inorgchem.6b01219","","","1.54178","CuKα","","0.0664","0.0586","","","0.1689","0.1779","","","","","","1.025","","","","has coordinates,has disorder","232995","2020-10-21","18:00:00",""
"4348487","10.0064","0.0005","18.3946","0.0009","19.5794","0.0009","69.721","0.004","86.165","0.004","80.387","0.004","3332.8","0.3","93","2","93","2","","","","","","","","6","P -1","-P 1","2","","","","- C75.29 H64.06 Cl2.7 Mn N7 O10.39 -","- C75.286 H64.0568 Cl2.7 Mn N7 O10.386 -","- C150.572 H128.114 Cl5.4 Mn2 N14 O20.772 -","2","1","","Joslin, Evan E.; Zaragoza, Jan Paulo T.; Baglia, Regina A.; Siegler, Maxime A.; Goldberg, David P.","The Influence of Peripheral Substituent Modification on P(V), Mn(III), and Mn(V)(O) Corrolazines: X-ray Crystallography, Electrochemical and Spectroscopic Properties, and HAT and OAT Reactivities.","Inorganic chemistry","2016","55","17","8646","8660","10.1021/acs.inorgchem.6b01219","","","1.54178","CuKα","","0.092","0.0695","","","0.1949","0.2181","","","","","","1.042","","","","has coordinates,has disorder","232997","2020-10-21","18:00:00",""
"4348488","14.8549","0.0006","15.6119","0.0018","16.6521","0.0007","87.211","0.004","66.674","0.004","74.628","0.004","3412.4","0.5","110","2","110","2","","","","","","","","5","P -1","-P 1","2","","","","- C74 H62 N7 O10 P -","- C74 H62 N7 O10 P -","- C148 H124 N14 O20 P2 -","2","1","","Joslin, Evan E.; Zaragoza, Jan Paulo T.; Baglia, Regina A.; Siegler, Maxime A.; Goldberg, David P.","The Influence of Peripheral Substituent Modification on P(V), Mn(III), and Mn(V)(O) Corrolazines: X-ray Crystallography, Electrochemical and Spectroscopic Properties, and HAT and OAT Reactivities.","Inorganic chemistry","2016","55","17","8646","8660","10.1021/acs.inorgchem.6b01219","","","1.54178","CuKα","","0.0798","0.0573","","","0.1466","0.1623","","","","","","1.014","","","","has coordinates,has disorder","232999","2020-10-21","18:00:00",""
"4348489","15.5705","0.0006","22.3823","0.001","27.2969","0.0009","90","","101.102","0.004","90","","9335","0.6","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","hexakis(mu-adeninato)hexa(mu3-hidroxido)hexa(mu-aqua)heptacopper(II) sulfate - triethylammonium sulphate (1/1)n-hydrate","","- C42 H74 Cu7 N32 O20 S2 -","- C42 H43 Cu7 N32 O20 S2 -","- C168 H172 Cu28 N128 O80 S8 -","4","0.5","","Pérez-Aguirre, Rubén; Beobide, Garikoitz; Castillo, Oscar; de Pedro, Imanol; Luque, Antonio; Pérez-Yáñez, Sonia; Rodríguez Fernández, Jesús; Román, Pascual","3D Magnetically Ordered Open Supramolecular Architectures Based on Ferrimagnetic Cu/Adenine/Hydroxide Heptameric Wheels.","Inorganic chemistry","2016","55","15","7755","7763","10.1021/acs.inorgchem.6b01231","","","1.54184","CuKα","","0.1479","0.1205","","","0.3766","0.4025","","","","","","1.519","","","","has coordinates,has disorder","233001","2020-10-21","18:00:00",""
"4348490","18.9582","0.0005","18.9582","0.0005","43.2908","0.0014","90","","90","","120","","13474.7","0.7","100","2","100","2","","","","","","","","6","R -3 c :H","-R 3 2""c","167","","hexakis(mu-adeninato)hexa(mu3-hidroxido)hexa(mu-aqua)heptacopper(II) sulfate - triethylammonium sulphate (1/1) n-hydrate","","- C30 H28 Cu7 N30 O24 S2 -","- C30 H42 Cu7 N30 O23.94 S1.98 -","- C180 H252 Cu42 N180 O143.64 S11.88 -","6","0.166667","","Pérez-Aguirre, Rubén; Beobide, Garikoitz; Castillo, Oscar; de Pedro, Imanol; Luque, Antonio; Pérez-Yáñez, Sonia; Rodríguez Fernández, Jesús; Román, Pascual","3D Magnetically Ordered Open Supramolecular Architectures Based on Ferrimagnetic Cu/Adenine/Hydroxide Heptameric Wheels.","Inorganic chemistry","2016","55","15","7755","7763","10.1021/acs.inorgchem.6b01231","","","0.71073","MoKα","","0.1142","0.0969","","","0.3083","0.3237","","","","","","1.1577","","","","has coordinates,has disorder","233001","2020-10-21","18:00:00",""
"4348491","5.7412","0.0003","14.4322","0.0006","15.7094","0.0007","90","","90","","90","","1301.65","0.1","100","","100","","","","","","","","","5","P n n m","-P 2 2n","58","","","","- C8 H8 N2 O9.5 U -","- C8 H8 N2 O9.5 U -","- C32 H32 N8 O38 U4 -","4","0.5","","Martin, Nicolas P.; Falaise, Clément; Volkringer, Christophe; Henry, Natacha; Farger, Pierre; Falk, Camille; Delahaye, Emilie; Rabu, Pierre; Loiseau, Thierry","Hydrothermal Crystallization of Uranyl Coordination Polymers Involving an Imidazolium Dicarboxylate Ligand: Effect of pH on the Nuclearity of Uranyl-Centered Subunits.","Inorganic chemistry","2016","55","17","8697","8705","10.1021/acs.inorgchem.6b01232","","x-ray","0.71073","MoKα","","0.0551","0.0364","","","0.0911","0.1027","","","","","","1.044","","","","has coordinates,has disorder","233003","2020-10-21","18:00:00",""
"4348492","8.2573","0.0002","14.3164","0.0005","14.6263","0.0004","90","","97.68","0.002","90","","1713.54","0.09","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H14 N4 O10 U -","- C14 H14 N4 O10 U -","- C56 H56 N16 O40 U4 -","4","1","","Martin, Nicolas P.; Falaise, Clément; Volkringer, Christophe; Henry, Natacha; Farger, Pierre; Falk, Camille; Delahaye, Emilie; Rabu, Pierre; Loiseau, Thierry","Hydrothermal Crystallization of Uranyl Coordination Polymers Involving an Imidazolium Dicarboxylate Ligand: Effect of pH on the Nuclearity of Uranyl-Centered Subunits.","Inorganic chemistry","2016","55","17","8697","8705","10.1021/acs.inorgchem.6b01232","","","0.71073","MoKα","","0.0402","0.0289","","","0.0683","0.076","","","","","","1.025","","","","has coordinates","233004","2020-10-21","18:00:00",""
"4348493","19.761","0.002","12.5678","0.0011","15.5142","0.0015","90","","101.723","0.005","90","","3772.6","0.6","299.37","","299.37","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C7 H7 N2 O16 U3 -","- C7 H7 N2 O16 U3 -","- C56 H56 N16 O128 U24 -","8","1","","Martin, Nicolas P.; Falaise, Clément; Volkringer, Christophe; Henry, Natacha; Farger, Pierre; Falk, Camille; Delahaye, Emilie; Rabu, Pierre; Loiseau, Thierry","Hydrothermal Crystallization of Uranyl Coordination Polymers Involving an Imidazolium Dicarboxylate Ligand: Effect of pH on the Nuclearity of Uranyl-Centered Subunits.","Inorganic chemistry","2016","55","17","8697","8705","10.1021/acs.inorgchem.6b01232","","x-ray","0.71073","MoKα","","0.0435","0.0276","","","0.0567","0.0622","","","","","","1.053","","","","has coordinates","233006","2020-10-21","18:00:00",""
"4348494","11.116","0.003","11.411","0.002","11.684","0.003","116.62","0.009","100.87","0.011","97.906","0.01","1258.9","0.5","299.06","","299.06","","","","","","","","","5","P -1","-P 1","2","","","","- C14 H16 N4 O18 U3 -","- C14 H16 N4 O18 U3 -","- C28 H32 N8 O36 U6 -","2","1","","Martin, Nicolas P.; Falaise, Clément; Volkringer, Christophe; Henry, Natacha; Farger, Pierre; Falk, Camille; Delahaye, Emilie; Rabu, Pierre; Loiseau, Thierry","Hydrothermal Crystallization of Uranyl Coordination Polymers Involving an Imidazolium Dicarboxylate Ligand: Effect of pH on the Nuclearity of Uranyl-Centered Subunits.","Inorganic chemistry","2016","55","17","8697","8705","10.1021/acs.inorgchem.6b01232","","x-ray","0.71073","MoKα","","0.0214","0.0182","","","0.044","0.0454","","","","","","1.073","","","","has coordinates","233008","2020-10-21","18:00:00",""
"4348495","9.46","0.005","11.154","0.005","16.521","0.005","94.375","0.005","102.621","0.005","111.303","0.005","1561.5","1.2","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C34 H32 Ag N2 O5 P S -","- C34 H32 Ag N2 O5 P S -","- C68 H64 Ag2 N4 O10 P2 S2 -","2","1","","Banti, Christina N.; Papatriantafyllopoulou, Constantina; Manoli, Maria; Tasiopoulos, Anastasios J.; Hadjikakou, Sotiris K.","Nimesulide Silver Metallodrugs, Containing the Mitochondriotropic, Triaryl Derivatives of Pnictogen; Anticancer Activity against Human Breast Cancer Cells.","Inorganic chemistry","2016","55","17","8681","8696","10.1021/acs.inorgchem.6b01241","","","0.71073","MoKα","","0.0448","0.0366","","","0.0853","0.089","","","","","","1.048","","","","has coordinates","233011","2020-10-21","18:00:00",""
"4348496","14.284","0.005","14.492","0.005","14.643","0.005","86.056","0.005","78.75","0.005","80.054","0.005","2926.3","1.8","100.05","0.1","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C67 H56 Ag N2 O5 S Sb3 -","- C67 H56 Ag N2 O5 S Sb3 -","- C134 H112 Ag2 N4 O10 S2 Sb6 -","2","1","","Banti, Christina N.; Papatriantafyllopoulou, Constantina; Manoli, Maria; Tasiopoulos, Anastasios J.; Hadjikakou, Sotiris K.","Nimesulide Silver Metallodrugs, Containing the Mitochondriotropic, Triaryl Derivatives of Pnictogen; Anticancer Activity against Human Breast Cancer Cells.","Inorganic chemistry","2016","55","17","8681","8696","10.1021/acs.inorgchem.6b01241","","","0.71073","MoKα","","0.0691","0.0462","","","0.1037","0.1222","","","","","","1.031","","","","has coordinates","233013","2020-10-21","18:00:00",""
"4348497","33.241","0.005","5.068","0.005","15.874","0.005","90","0.005","92.689","0.005","90","0.005","2671","3","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C13 H12 N2 O5 S -","- C13 H12 N2 O5 S -","- C104 H96 N16 O40 S8 -","8","1","","Banti, Christina N.; Papatriantafyllopoulou, Constantina; Manoli, Maria; Tasiopoulos, Anastasios J.; Hadjikakou, Sotiris K.","Nimesulide Silver Metallodrugs, Containing the Mitochondriotropic, Triaryl Derivatives of Pnictogen; Anticancer Activity against Human Breast Cancer Cells.","Inorganic chemistry","2016","55","17","8681","8696","10.1021/acs.inorgchem.6b01241","","","0.71073","MoKα","","0.053","0.0441","","","0.123","0.1297","","","","","","0.906","","","","has coordinates","233015","2020-10-21","18:00:00",""
"4348498","10.626","0.005","10.821","0.005","22.212","0.005","101.258","0.005","91.047","0.005","99.428","0.005","2467.7","1.7","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C55 H53 Ag N2 O5 P2 S -","- C55 H53 Ag N2 O5 P2 S -","- C110 H106 Ag2 N4 O10 P4 S2 -","2","1","","Banti, Christina N.; Papatriantafyllopoulou, Constantina; Manoli, Maria; Tasiopoulos, Anastasios J.; Hadjikakou, Sotiris K.","Nimesulide Silver Metallodrugs, Containing the Mitochondriotropic, Triaryl Derivatives of Pnictogen; Anticancer Activity against Human Breast Cancer Cells.","Inorganic chemistry","2016","55","17","8681","8696","10.1021/acs.inorgchem.6b01241","","","0.71073","MoKα","","0.0505","0.0397","","","0.0932","0.0998","","","","","","1.033","","","","has coordinates","233016","2020-10-21","18:00:00",""
"4348499","15.4416","0.0004","14.2826","0.0004","19.7348","0.0006","90","","96.343","0.003","90","","4325.8","0.2","100.3","0.4","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C49 H41 Ag As2 N2 O5 S -","- C49 H41 Ag As2 N2 O5 S -","- C196 H164 Ag4 As8 N8 O20 S4 -","4","1","","Banti, Christina N.; Papatriantafyllopoulou, Constantina; Manoli, Maria; Tasiopoulos, Anastasios J.; Hadjikakou, Sotiris K.","Nimesulide Silver Metallodrugs, Containing the Mitochondriotropic, Triaryl Derivatives of Pnictogen; Anticancer Activity against Human Breast Cancer Cells.","Inorganic chemistry","2016","55","17","8681","8696","10.1021/acs.inorgchem.6b01241","","","1.54184","CuKα","","0.0489","0.0381","","","0.106","0.1297","","","","","","1.062","","","","has coordinates","233018","2020-10-21","18:00:00",""
"4348500","12.627","0.005","13.245","0.005","14.592","0.005","97.969","0.005","97.13","0.005","92.879","0.005","2392.5","1.5","100.05","0.1","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C52 H47 Ag N3 O6 P2 S -","- C52 H47 Ag N3 O6 P2 S -","- C104 H94 Ag2 N6 O12 P4 S2 -","2","1","","Banti, Christina N.; Papatriantafyllopoulou, Constantina; Manoli, Maria; Tasiopoulos, Anastasios J.; Hadjikakou, Sotiris K.","Nimesulide Silver Metallodrugs, Containing the Mitochondriotropic, Triaryl Derivatives of Pnictogen; Anticancer Activity against Human Breast Cancer Cells.","Inorganic chemistry","2016","55","17","8681","8696","10.1021/acs.inorgchem.6b01241","","","0.71073","MoKα","","0.0496","0.0406","","","0.1016","0.1069","","","","","","1.052","","","","has coordinates","233020","2020-10-21","18:00:00",""
"4348501","11.41368","0.00016","11.88771","0.00019","23.4459","0.0003","90","","90.0915","0.0013","90","","3181.19","0.08","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","diammonium pentahydroxyheptaborate boric acid water solvate","","- B31 H71 N8 O70 -","- B31 H69 N8 O70 -","- B62 H138 N16 O140 -","2","0.5","","Neiner, Doinita; Sevryugina, Yulia V.; Schubert, David M.","Solid-State Synthesis and Structure of the Enigmatic Ammonium Octaborate: (NH4)2[B7O9(OH)5]·3/4B(OH)3·5/4H2O.","Inorganic chemistry","2016","55","17","8706","8711","10.1021/acs.inorgchem.6b01243","","","1.54184","CuKα","","0.0524","0.0515","","","0.1735","0.1748","","","","","","1.121","","","","has coordinates,has disorder","233022","2020-10-21","18:00:00",""
"4348502","13.7778","0.0005","16.8338","0.0007","14.165","0.0006","90","","116.862","0.002","90","","2930.8","0.2","200","2","200","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C81 H52 Ir N7 -","- C81 H52 Ir N7 -","- C162 H104 Ir2 N14 -","2","1","","Lepeltier, Marc; Appaix, Florence; Liao, Yuan Yuan; Dumur, Frédéric; Marrot, Jérôme; Le Bahers, Tangui; Andraud, Chantal; Monnereau, Cyrille","Carbazole-Substituted Iridium Complex as a Solid State Emitter for Two-Photon Intravital Imaging.","Inorganic chemistry","2016","55","19","9586","9595","10.1021/acs.inorgchem.6b01253","","","0.71073","MoKα","","0.0328","0.0242","","","0.0504","0.0523","","","","","","1.159","","","","has coordinates,has disorder","233024","2020-10-21","18:00:00",""
"4348503","19.1665","0.0014","9.4485","0.0005","21.9647","0.0014","90","","107.059","0.005","90","","3802.7","0.4","170","2","170","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C39 H53 Mo N2 P5 -","- C39 H53 Mo N2 P5 -","- C156 H212 Mo4 N8 P20 -","4","1","","Hinrichsen, Svea; Kindjajev, Andrei; Adomeit, Sven; Krahmer, Jan; Näther, Christian; Tuczek, Felix","Molybdenum(0) Dinitrogen Complexes Supported by Pentadentate Tetrapodal Phosphine Ligands: Structure, Synthesis, and Reactivity toward Acids.","Inorganic chemistry","2016","55","17","8712","8722","10.1021/acs.inorgchem.6b01255","","","0.71073","MoKα","","0.0834","0.0543","","","0.1072","0.1178","","","","","","1.076","","","","has coordinates","233026","2020-10-21","18:00:00",""
"4348504","26.3296","0.0016","26.3296","0.0016","23.314","0.003","90","","90","","120","","13997","2","296","2","296","2","","","","","","","","6","R 3 c :H","R 3 -2""c","161","","","","- C54 H96 Cr4 Mn3 N6 O54 -","- C48 H72 Cr4 Mn3 N6 O48 -","- C288 H432 Cr24 Mn18 N36 O288 -","6","0.333333","","Mon, Marta; Grancha, Thais; Verdaguer, Michel; Train, Cyrille; Armentano, Donatella; Pardo, Emilio","Solvent-Dependent Self-Assembly of an Oxalato-Based Three-Dimensional Magnet Exhibiting a Novel Architecture.","Inorganic chemistry","2016","55","14","6845","6847","10.1021/acs.inorgchem.6b01256","","","0.71073","MoKα","","0.0367","0.0348","","","0.0977","0.0994","","","","","","1.036","","","","has coordinates","233028","2020-10-21","18:00:00",""
"4348505","9.5412","0.0018","12.842","0.002","14.455","0.003","116.316","0.002","109.199","0.002","90.15","0.003","1476.1","0.5","240","2","240","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H20 Gd N O9 -","- C22 H12 Gd N O9 -","- C44 H24 Gd2 N2 O18 -","2","1","","Wu, Pengyan; Guo, Xiangyang; Cheng, Linjuan; He, Cheng; Wang, Jian; Duan, Chunying","Photoactive Metal-Organic Framework and Its Film for Light-Driven Hydrogen Production and Carbon Dioxide Reduction.","Inorganic chemistry","2016","55","16","8153","8159","10.1021/acs.inorgchem.6b01267","","","0.71073","MoKα","","0.0838","0.0587","","","0.1564","0.165","","","","","","1.036","","","","has coordinates,has disorder","233030","2020-10-21","18:00:00",""
"4348506","13.827","0.004","16.888","0.006","19.105","0.007","74.465","0.016","70.471","0.017","71.882","0.016","3929","2","150","","150","","","","","","","","","6","P -1","-P 1","2","","","","- C39 H25 Cl2 N7 O8 Ru -","- C39 H25 Cl2 N7 O8 Ru -","- C156 H100 Cl8 N28 O32 Ru4 -","4","2","","Singha Hazari, Arijit; Ray, Ritwika; Hoque, Md Asmaul; Lahiri, Goutam Kumar","Electronic Structure and Multicatalytic Features of Redox-Active Bis(arylimino)acenaphthene (BIAN)-Derived Ruthenium Complexes.","Inorganic chemistry","2016","55","16","8160","8173","10.1021/acs.inorgchem.6b01280","","","0.71075","MoKα","","0.0793","0.0726","","","0.1819","0.1896","","","","","","1.122","","","","has coordinates","233033","2020-10-21","18:00:00",""
"4348507","12.5917","0.001","12.843","0.01","14.364","0.012","111.359","0.014","90.515","0.011","97.492","0.001","2141","2","150","","150","","","","","","","","","6","P -1","-P 1","2","","","","- C41 H31 Cl2 N5 O6 Ru -","- C41 H31 Cl2 N5 O6 Ru -","- C82 H62 Cl4 N10 O12 Ru2 -","2","1","","Singha Hazari, Arijit; Ray, Ritwika; Hoque, Md Asmaul; Lahiri, Goutam Kumar","Electronic Structure and Multicatalytic Features of Redox-Active Bis(arylimino)acenaphthene (BIAN)-Derived Ruthenium Complexes.","Inorganic chemistry","2016","55","16","8160","8173","10.1021/acs.inorgchem.6b01280","","","0.7107","MoKα","","0.0635","0.0522","","","0.097","0.1022","","","","","","1.051","","","","has coordinates","233035","2020-10-21","18:00:00",""
"4348508","17.999","0.003","19.834","0.003","22.541","0.003","90","","110.037","0.002","90","","7560","2","150","","150","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C40.5 H29.5 Cl3 N5.5 O4 Ru -","- C40.5 H29.5 Cl3 N5.5 O4 Ru -","- C324 H236 Cl24 N44 O32 Ru8 -","8","2","","Singha Hazari, Arijit; Ray, Ritwika; Hoque, Md Asmaul; Lahiri, Goutam Kumar","Electronic Structure and Multicatalytic Features of Redox-Active Bis(arylimino)acenaphthene (BIAN)-Derived Ruthenium Complexes.","Inorganic chemistry","2016","55","16","8160","8173","10.1021/acs.inorgchem.6b01280","","","0.7107","MoKα","","0.0573","0.0476","","","0.121","0.1307","","","","","","1.065","","","","has coordinates","233037","2020-10-21","18:00:00",""
"4348509","11.004","0.008","15.264","0.011","15.409","0.01","97.715","0.009","101.991","0.01","105.474","0.008","2390","3","150","2","150.15","","","","","","","","","6","P -1","-P 1","2","","","","- C47 H45 Cl2 N5 O13 Ru -","- C47 H45 Cl2 N5 O13 Ru -","- C94 H90 Cl4 N10 O26 Ru2 -","2","1","","Singha Hazari, Arijit; Ray, Ritwika; Hoque, Md Asmaul; Lahiri, Goutam Kumar","Electronic Structure and Multicatalytic Features of Redox-Active Bis(arylimino)acenaphthene (BIAN)-Derived Ruthenium Complexes.","Inorganic chemistry","2016","55","16","8160","8173","10.1021/acs.inorgchem.6b01280","","","0.7107","MoKα","","0.0818","0.0744","","","0.1628","0.1669","","","","","","1.175","","","","has coordinates","233039","2020-10-21","18:00:00",""
"4348510","11.666","0.003","12.356","0.004","12.685","0.003","84.316","0.018","73.623","0.015","67.642","0.012","1622.3","0.8","150","","150.15","","","","","","","","","6","P -1","-P 1","2","","","","- C33 H22 Cl2 N4 O5 Ru -","- C33 H22 Cl2 N4 O5 Ru -","- C66 H44 Cl4 N8 O10 Ru2 -","2","1","","Singha Hazari, Arijit; Ray, Ritwika; Hoque, Md Asmaul; Lahiri, Goutam Kumar","Electronic Structure and Multicatalytic Features of Redox-Active Bis(arylimino)acenaphthene (BIAN)-Derived Ruthenium Complexes.","Inorganic chemistry","2016","55","16","8160","8173","10.1021/acs.inorgchem.6b01280","","","0.7107","MoKα","","0.0627","0.047","","","0.1031","0.115","","","","","","0.986","","","","has coordinates","233041","2020-10-21","18:00:00",""
"4348511","19.0947","0.0003","15.2858","0.0002","21.6894","0.0005","90","","90","","90","","6330.7","0.2","295","2","295","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C32 H46 Cl Cr N4 -","- C32 H46 Cl Cr N4 -","- C256 H368 Cl8 Cr8 N32 -","8","1","","Tyler, Sarah F.; Judkins, Eileen C.; Song, You; Cao, Fan; McMillin, David R.; Fanwick, Phillip E.; Ren, Tong","Cr(III)-HMC (HMC = 5,5,7,12,12,14-Hexamethyl-1,4,8,11-tetraazacyclotetradecane) Alkynyl Complexes: Preparation and Emission Properties.","Inorganic chemistry","2016","55","17","8736","8743","10.1021/acs.inorgchem.6b01285","","","0.71073","MoKα","","0.0763","0.0404","","","0.1019","0.1214","","","","","","1.029","","","","has coordinates","233043","2020-10-21","18:00:00",""
"4348512","9.2959","0.0007","21.2083","0.0011","17.4776","0.001","90","","92.872","0.004","90","","3441.4","0.4","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C34 H54 Cl Cr N4 O2 -","- C34 H54 Cl Cr N4 O2 -","- C136 H216 Cl4 Cr4 N16 O8 -","4","1","","Tyler, Sarah F.; Judkins, Eileen C.; Song, You; Cao, Fan; McMillin, David R.; Fanwick, Phillip E.; Ren, Tong","Cr(III)-HMC (HMC = 5,5,7,12,12,14-Hexamethyl-1,4,8,11-tetraazacyclotetradecane) Alkynyl Complexes: Preparation and Emission Properties.","Inorganic chemistry","2016","55","17","8736","8743","10.1021/acs.inorgchem.6b01285","","","0.71073","MoKα","","0.0583","0.0401","","","0.1097","0.1177","","","","","","1.086","","","","has coordinates","233043","2020-10-21","18:00:00",""
"4348513","12.2089","0.0005","12.8204","0.0005","22.5411","0.0014","90","","90","","90","","3528.2","0.3","150","2","150","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C30 H54 Cl Cr N4 Si2 -","- C30 H54 Cl Cr N4 Si2 -","- C120 H216 Cl4 Cr4 N16 Si8 -","4","0.5","","Tyler, Sarah F.; Judkins, Eileen C.; Song, You; Cao, Fan; McMillin, David R.; Fanwick, Phillip E.; Ren, Tong","Cr(III)-HMC (HMC = 5,5,7,12,12,14-Hexamethyl-1,4,8,11-tetraazacyclotetradecane) Alkynyl Complexes: Preparation and Emission Properties.","Inorganic chemistry","2016","55","17","8736","8743","10.1021/acs.inorgchem.6b01285","","","1.54178","CuKα","","0.0946","0.0606","","","0.1454","0.17","","","","","","1.065","","","","has coordinates","233043","2020-10-21","18:00:00",""
"4348514","10.0216","0.0005","12.0315","0.0006","13.4308","0.0004","86.353","0.003","72.292","0.003","80.406","0.002","1520.97","0.12","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C27 H50 Cl Cr N4 O3 -","- C27 H50 Cl Cr N4 O3 -","- C54 H100 Cl2 Cr2 N8 O6 -","2","1","","Tyler, Sarah F.; Judkins, Eileen C.; Song, You; Cao, Fan; McMillin, David R.; Fanwick, Phillip E.; Ren, Tong","Cr(III)-HMC (HMC = 5,5,7,12,12,14-Hexamethyl-1,4,8,11-tetraazacyclotetradecane) Alkynyl Complexes: Preparation and Emission Properties.","Inorganic chemistry","2016","55","17","8736","8743","10.1021/acs.inorgchem.6b01285","","","0.71073","MoKα","","0.0481","0.0336","","","0.0903","0.0985","","","","","","1.093","","","","has coordinates","233043","2020-10-21","18:00:00",""
"4348515","20.328","0.009","20.328","0.009","17.91","0.008","90","","90","","90","","7401","6","298","2","298","2","","","","","","","","6","I 4 c m","I 4 -2c","108","","","","- C23 H27 Co0.5 N2 O16.5 Zn2.5 -","- C23 H21 Co0.5 N2 O16.5 Zn2.5 -","- C184 H168 Co4 N16 O132 Zn20 -","8","0.5","","Pariyar, Anand; Yaghoobnejad Asl, Hooman; Choudhury, Amitava","Tetragonal versus Hexagonal: Structure-Dependent Catalytic Activity of Co/Zn Bimetallic Metal-Organic Frameworks.","Inorganic chemistry","2016","55","18","9250","9257","10.1021/acs.inorgchem.6b01288","","","0.71073","MoKα","","0.0882","0.0639","","","0.1586","0.1778","","","","","","1.085","","","","has coordinates","233045","2020-10-21","18:00:00",""
"4348516","18.389","0.005","18.389","0.005","17.969","0.005","90","","90","","120","","5262","2","230","2","230","2","","","","","","","","6","P 63 c m","P 6c -2","185","","","","- C24.67 H30.67 Co0.5 N3.33 O14.67 Zn2.5 -","- C24.6666 H26 Co0.5 N3.33333 O14.6666 Zn2.5 -","- C148 H156 Co3 N20 O87.9998 Zn15 -","6","0.5","","Pariyar, Anand; Yaghoobnejad Asl, Hooman; Choudhury, Amitava","Tetragonal versus Hexagonal: Structure-Dependent Catalytic Activity of Co/Zn Bimetallic Metal-Organic Frameworks.","Inorganic chemistry","2016","55","18","9250","9257","10.1021/acs.inorgchem.6b01288","","","0.71073","MoKα","","0.0942","0.0893","","","0.2113","0.2138","","","","","","1.158","","","","has coordinates","233045","2020-10-21","18:00:00",""
"4348517","18.368","0.01","18.368","0.01","17.964","0.01","90","","90","","120","","5249","5","220","2","220","2","","","","","","","","5","P 63 c m","P 6c -2","185","","","","- C24.67 H30.67 N3.33 O14.67 Zn3 -","- C24.6666 H26 N3.33333 O14.6666 Zn3 -","- C148 H156 N20 O87.9998 Zn18 -","6","0.5","","Pariyar, Anand; Yaghoobnejad Asl, Hooman; Choudhury, Amitava","Tetragonal versus Hexagonal: Structure-Dependent Catalytic Activity of Co/Zn Bimetallic Metal-Organic Frameworks.","Inorganic chemistry","2016","55","18","9250","9257","10.1021/acs.inorgchem.6b01288","","","0.71073","MoKα","","0.0842","0.0532","","","0.1238","0.1428","","","","","","1.051","","","","has coordinates","233045","2020-10-21","18:00:00",""
"4348518","20.977","0.003","12.512","0.002","14.563","0.002","90","","107.171","0.002","90","","3651.9","0.9","110","2","110","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","None","","","- C31 H42 Au Cl6 P2 Sb -","- C31 H42 Au Cl6 P2 Sb -","- C124 H168 Au4 Cl24 P8 Sb4 -","4","1","","Sen, Srobona; Ke, Iou-Sheng; Gabbaï, François P","Anion-Controlled Positional Switching of a Phenyl Group about the Dinuclear Core of a AuSb Complex.","Inorganic chemistry","2016","55","18","9162","9172","10.1021/acs.inorgchem.6b01290","","","0.71073","MoKα","","0.0297","0.0251","","","0.054","0.0556","","","","","","1.04","","","","has coordinates","233048","2020-10-21","18:00:00",""
"4348519","11.571","0.009","17.799","0.013","15.33","0.011","90","","101.679","0.008","90","","3092","4","110","2","110","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","None","","","- C30 H41 Au Cl F2 P2 Sb -","- C30 H41 Au Cl F2 P2 Sb -","- C120 H164 Au4 Cl4 F8 P8 Sb4 -","4","1","","Sen, Srobona; Ke, Iou-Sheng; Gabbaï, François P","Anion-Controlled Positional Switching of a Phenyl Group about the Dinuclear Core of a AuSb Complex.","Inorganic chemistry","2016","55","18","9162","9172","10.1021/acs.inorgchem.6b01290","","","0.71073","MoKα","","0.0382","0.033","","","0.0948","0.0974","","","","","","1.024","","","","has coordinates","233048","2020-10-21","18:00:00",""
"4348520","11.734","0.005","17.543","0.008","15.327","0.007","90","","103.156","0.005","90","","3072","2","110","2","110","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","None","","","- C30 H41 Au Cl2 F P2 Sb -","- C30 H41 Au Cl2 F P2 Sb -","- C120 H164 Au4 Cl8 F4 P8 Sb4 -","4","1","","Sen, Srobona; Ke, Iou-Sheng; Gabbaï, François P","Anion-Controlled Positional Switching of a Phenyl Group about the Dinuclear Core of a AuSb Complex.","Inorganic chemistry","2016","55","18","9162","9172","10.1021/acs.inorgchem.6b01290","","","0.71073","MoKα","","0.034","0.0281","","","0.0679","0.0908","","","","","","1.153","","","","has coordinates","233048","2020-10-21","18:00:00",""
"4348521","8.739","0.003","13.935","0.005","14.336","0.005","90.334","0.005","91.788","0.005","93.837","0.005","1741","1.1","253","2","253","2","","","","","","","","6","P -1","-P 1","2","None","","","- C30 H41 Au F8 P3 Sb -","- C30 H41 Au F8 P3 Sb -","- C60 H82 Au2 F16 P6 Sb2 -","2","1","","Sen, Srobona; Ke, Iou-Sheng; Gabbaï, François P","Anion-Controlled Positional Switching of a Phenyl Group about the Dinuclear Core of a AuSb Complex.","Inorganic chemistry","2016","55","18","9162","9172","10.1021/acs.inorgchem.6b01290","","","0.71073","MoKα","","0.0818","0.0606","","","0.1432","0.1537","","","","","","1.033","","","","has coordinates","233048","2020-10-21","18:00:00",""
"4348522","10.6697","0.0011","14.5036","0.0015","20.258","0.002","103.015","0.001","98.686","0.001","90.4","0.001","3016.6","0.5","110","","110","","","","","","","","","6","P -1","-P 1","2","","","","- C30 H41 Au F3 P2 Sb -","- C30 H41 Au F3 P2 Sb -","- C120 H164 Au4 F12 P8 Sb4 -","4","2","","Sen, Srobona; Ke, Iou-Sheng; Gabbaï, François P","Anion-Controlled Positional Switching of a Phenyl Group about the Dinuclear Core of a AuSb Complex.","Inorganic chemistry","2016","55","18","9162","9172","10.1021/acs.inorgchem.6b01290","","","0.71073","MoKα","","0.0595","0.0371","","","0.0754","0.0825","","","","","","1.049","","","","has coordinates","233048","2020-10-21","18:00:00",""
"4348523","26.57","0.004","26.57","0.004","23.545","0.007","90","","90","","120","","14395","5","296","2","296","2","","","","","","","","7","R -3 :H","-R 3","148","None","","","- C540 H738 Au18 F54 O12 P36 Sb18 -","- C540 H738 Au18 F54 O12 P36 Sb18 -","- C540 H738 Au18 F54 O12 P36 Sb18 -","1","0.0555556","","Sen, Srobona; Ke, Iou-Sheng; Gabbaï, François P","Anion-Controlled Positional Switching of a Phenyl Group about the Dinuclear Core of a AuSb Complex.","Inorganic chemistry","2016","55","18","9162","9172","10.1021/acs.inorgchem.6b01290","","","0.71073","MoKα","","0.0475","0.0322","","","0.0733","0.0835","","","","","","1.053","","","","has coordinates","233048","2020-10-21","18:00:00",""
"4348524","29.097","0.002","35.554","0.003","45.696","0.003","90","","90","","90","","47273","6","150","2","150","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C164 H170 Cl12 N24 O43 Y Yb -","- C164 H170 Cl12 N24 O43 Y Yb -","- C1312 H1360 Cl96 N192 O344 Y8 Yb8 -","8","1","","Polovkova, Marina A.; Martynov, Alexander G.; Birin, Kirill P.; Nefedov, Sergey E.; Gorbunova, Yulia G.; Tsivadze, Aslan Yu","Determination of the Structural Parameters of Heteronuclear (Phthalocyaninato)bis(crownphthalocyaninato)lanthanide(III) Triple-Deckers in Solution by Simultaneous Analysis of NMR and Single-Crystal X-ray Data.","Inorganic chemistry","2016","55","18","9258","9269","10.1021/acs.inorgchem.6b01292","","","0.71073","MoKα","","0.2181","0.1084","","","0.2723","0.3145","","","","","","0.808","","","","has coordinates","233050","2020-10-21","18:00:00",""
"4348525","24.563","0.002","38.104","0.004","22.629","0.002","90","","101.392","0.002","90","","20762","3","150","2","150","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C170 H172 Cl30 N24 O41 Tm Y -","- C170 H172 Cl30 N24 O41 Tm Y -","- C680 H688 Cl120 N96 O164 Tm4 Y4 -","4","1","","Polovkova, Marina A.; Martynov, Alexander G.; Birin, Kirill P.; Nefedov, Sergey E.; Gorbunova, Yulia G.; Tsivadze, Aslan Yu","Determination of the Structural Parameters of Heteronuclear (Phthalocyaninato)bis(crownphthalocyaninato)lanthanide(III) Triple-Deckers in Solution by Simultaneous Analysis of NMR and Single-Crystal X-ray Data.","Inorganic chemistry","2016","55","18","9258","9269","10.1021/acs.inorgchem.6b01292","","","0.71073","MoKα","","0.1889","0.1012","","","0.2572","0.2864","","","","","","0.945","","","","has coordinates","233052","2020-10-21","18:00:00",""
"4348526","13.806","0.004","7.91","0.002","9.093","0.003","90","","90","","90","","993","0.5","296","2","296","2","","","","","","","","4","C m c 21","C 2c -2","36","K3B3O10H8","","","- B3 H8 K3 O10 -","- B3 H8 K3 O10 -","- B12 H32 K12 O40 -","4","0.5","","Liu, Qiong; Zhang, Xiangyu; Yang, Zhihua; Zhang, Fangfang; Liu, Lili; Han, Jian; Li, Zhi; Pan, Shilie","K3B3O4(OH)4·2H2O: A UV Nonlinear Optical Crystal with Isolated [B3O4(OH)4](3-) Anion Groups.","Inorganic chemistry","2016","55","17","8744","8749","10.1021/acs.inorgchem.6b01298","","","0.71073","MoKα","","0.0482","0.0457","","","0.1458","0.148","","","","","","1.13","","","","has coordinates","233054","2020-10-21","18:00:00",""
"4348527","10.9313","0.0014","14.207","0.002","19.792","0.003","71.505","0.006","76.44","0.006","78.322","0.007","2806.2","0.7","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C56 H56 Cu F6 Fe N4 O2 P -","- C56 H56 Cu F6 Fe N4 O2 P -","- C112 H112 Cu2 F12 Fe2 N8 O4 P2 -","2","1","","Barnsley, Jonathan E.; Scottwell, Synøve Ø; Elliott, Anastasia B. S.; Gordon, Keith C.; Crowley, James D.","Structural, Electronic, and Computational Studies of Heteroleptic Cu(I) Complexes of 6,6'-Dimesityl-2,2'-bipyridine with Ferrocene-Appended Ethynyl-2,2'-bipyridine Ligands.","Inorganic chemistry","2016","55","16","8184","8192","10.1021/acs.inorgchem.6b01300","","","0.71073","MoKα","","0.0935","0.0623","","","0.1685","0.1849","","","","","","1.01","","","","has coordinates","233056","2020-10-21","18:00:00",""
"4348528","14.1641","0.0011","15.7908","0.0011","29.13","0.002","95.364","0.005","92.364","0.004","114.839","0.004","5863.3","0.8","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C62 H52 Cu F6 Fe2 N4 O0 P -","- C62 H52 Cu F6 Fe2 N4 P -","- C248 H208 Cu4 F24 Fe8 N16 P4 -","4","2","","Barnsley, Jonathan E.; Scottwell, Synøve Ø; Elliott, Anastasia B. S.; Gordon, Keith C.; Crowley, James D.","Structural, Electronic, and Computational Studies of Heteroleptic Cu(I) Complexes of 6,6'-Dimesityl-2,2'-bipyridine with Ferrocene-Appended Ethynyl-2,2'-bipyridine Ligands.","Inorganic chemistry","2016","55","16","8184","8192","10.1021/acs.inorgchem.6b01300","","","0.71073","MoKα","","0.1697","0.0952","","","0.2556","0.2896","","","","","","0.992","","","","has coordinates,has disorder","233056","2020-10-21","18:00:00",""
"4348529","19.447","0.019","11.944","0.012","8.02","0.008","90","","103.554","0.012","90","","1811","3","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C17 H15 Cl2 N5 Ni O -","- C17 H15 Cl2 N5 Ni O -","- C68 H60 Cl8 N20 Ni4 O4 -","4","0.5","","Sengupta, Debabrata; Bhattacharjee, Rameswar; Pramanick, Rajib; Rath, Santi Prasad; Saha Chowdhury, Nabanita; Datta, Ayan; Goswami, Sreebrata","Exclusively Ligand-Mediated Catalytic Dehydrogenation of Alcohols.","Inorganic chemistry","2016","55","19","9602","9610","10.1021/acs.inorgchem.6b01310","","","0.71073","MoKα","","0.0702","0.0438","","","0.0918","0.1047","","","","","","0.991","","","","has coordinates","233058","2020-10-21","18:00:00",""
"4348530","12.619","0.004","9.185","0.003","15.5","0.005","90","","91.489","0.01","90","","1795.9","1","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C17 H15 Cl2 N5 Ni -","- C17 H15 Cl2 N5 Ni -","- C68 H60 Cl8 N20 Ni4 -","4","1","","Sengupta, Debabrata; Bhattacharjee, Rameswar; Pramanick, Rajib; Rath, Santi Prasad; Saha Chowdhury, Nabanita; Datta, Ayan; Goswami, Sreebrata","Exclusively Ligand-Mediated Catalytic Dehydrogenation of Alcohols.","Inorganic chemistry","2016","55","19","9602","9610","10.1021/acs.inorgchem.6b01310","","","0.71073","MoKα","","0.1405","0.0569","","","0.1118","0.1453","","","","","","0.983","","","","has coordinates","233058","2020-10-21","18:00:00",""
"4348531","18.8317","0.001","18.8317","0.001","38.5698","0.0013","90","","90","","120","","11845.6","1","293","2","293","2","","","","","","","","5","R -3 m :H","-R 3 2""","166","","","","- C25.66 H13.79 N1.99 O8.57 Zn2 -","- C25.664 H13.784 N1.998 O8.562 Zn2 -","- C230.976 H124.056 N17.982 O77.058 Zn18 -","9","0.25","","Yao, Ru-Xin; Cui, Xin; Jia, Xiao-Xia; Zhang, Fu-Qiang; Zhang, Xian-Ming","A Luminescent Zinc(II) Metal-Organic Framework (MOF) with Conjugated π-Electron Ligand for High Iodine Capture and Nitro-Explosive Detection.","Inorganic chemistry","2016","55","18","9270","9275","10.1021/acs.inorgchem.6b01312","","x-ray","0.71073","MoKα","","0.0829","0.0646","","","0.1808","0.1939","","","","","","1.066","","","","has coordinates,has disorder","233060","2020-10-21","18:00:00",""
"4348532","12.9199","0.0003","15.0009","0.0004","17.2749","0.0004","73.262","0.001","85.813","0.001","86.019","0.001","3193.53","0.14","115","","115","","","","","","","","","6","P -1","-P 1","2","","","","- C68 H66 Au Cl5 Fe P4 -","- C68 H66 Au Cl5 Fe P4 -","- C136 H132 Au2 Cl10 Fe2 P8 -","2","1","","Rampazzi, Vincent; Roger, Julien; Amardeil, Régine; Penouilh, Marie-José; Richard, Philippe; Fleurat-Lessard, Paul; Hierso, Jean-Cyrille","Gold(I) Complexes of Ferrocenyl Polyphosphines: Aurophilic Gold Chloride Formation and Phosphine-Concerted Shuttling of a Dinuclear [ClAu···AuCl] Fragment.","Inorganic chemistry","2016","55","21","10907","10921","10.1021/acs.inorgchem.6b01318","","x-ray","0.71073","MoKα","","0.0663","0.0506","","","0.102","0.1124","","","","","","1.117","","","","has coordinates,has disorder","233062","2020-10-21","18:00:00",""
"4348533","12.7773","0.0003","27.6187","0.0006","20.1236","0.0004","90","","100.41","0.001","90","","6984.6","0.3","115","","115","","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C69 H68 Au3 Cl9 Fe P4 -","- C69 H68 Au3 Cl9 Fe P4 -","- C276 H272 Au12 Cl36 Fe4 P16 -","4","1","","Rampazzi, Vincent; Roger, Julien; Amardeil, Régine; Penouilh, Marie-José; Richard, Philippe; Fleurat-Lessard, Paul; Hierso, Jean-Cyrille","Gold(I) Complexes of Ferrocenyl Polyphosphines: Aurophilic Gold Chloride Formation and Phosphine-Concerted Shuttling of a Dinuclear [ClAu···AuCl] Fragment.","Inorganic chemistry","2016","55","21","10907","10921","10.1021/acs.inorgchem.6b01318","","x-ray","0.71073","MoKα","","0.0278","0.0264","","","0.065","0.0666","","","","","","1.048","","","","has coordinates","233062","2020-10-21","18:00:00",""
"4348534","13.2298","0.0002","22.4425","0.0004","23.1174","0.0004","90","","92.882","0.001","90","","6855.1","0.2","115","","115","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C69 H68 Au2.11 Cl8.11 Fe P4 -","- C69 H68 Au2.1087 Cl8.1087 Fe P4 -","- C276 H272 Au8.4348 Cl32.4348 Fe4 P16 -","4","1","","Rampazzi, Vincent; Roger, Julien; Amardeil, Régine; Penouilh, Marie-José; Richard, Philippe; Fleurat-Lessard, Paul; Hierso, Jean-Cyrille","Gold(I) Complexes of Ferrocenyl Polyphosphines: Aurophilic Gold Chloride Formation and Phosphine-Concerted Shuttling of a Dinuclear [ClAu···AuCl] Fragment.","Inorganic chemistry","2016","55","21","10907","10921","10.1021/acs.inorgchem.6b01318","","x-ray","0.71073","MoKα","","0.0575","0.0423","","","0.0711","0.0765","","","","","","1.164","","","","has coordinates,has disorder","233062","2020-10-21","18:00:00",""
"4348535","13.672","0.0002","20.447","0.0004","16.5451","0.0003","90","","104.879","0.0008","90","","4470.12","0.14","115","","115","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C43.5 H47 Au2 Cl5 Fe P2 -","- C43.5 H47 Au2 Cl5 Fe P2 -","- C174 H188 Au8 Cl20 Fe4 P8 -","4","1","","Rampazzi, Vincent; Roger, Julien; Amardeil, Régine; Penouilh, Marie-José; Richard, Philippe; Fleurat-Lessard, Paul; Hierso, Jean-Cyrille","Gold(I) Complexes of Ferrocenyl Polyphosphines: Aurophilic Gold Chloride Formation and Phosphine-Concerted Shuttling of a Dinuclear [ClAu···AuCl] Fragment.","Inorganic chemistry","2016","55","21","10907","10921","10.1021/acs.inorgchem.6b01318","","x-ray","0.71073","MoKα","","0.0357","0.0321","","","0.0775","0.081","","","","","","1.175","","","","has coordinates,has disorder","233064","2020-10-21","18:00:00",""
"4348536","17.7292","0.0004","11.8179","0.0003","22.1518","0.0006","90","","112.38","0.0011","90","","4291.72","0.19","115","","115","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C39 H46 Au2 Cl4 Fe O4 P2 -","- C39 H46 Au2 Cl4 Fe O4 P2 -","- C156 H184 Au8 Cl16 Fe4 O16 P8 -","4","0.5","","Rampazzi, Vincent; Roger, Julien; Amardeil, Régine; Penouilh, Marie-José; Richard, Philippe; Fleurat-Lessard, Paul; Hierso, Jean-Cyrille","Gold(I) Complexes of Ferrocenyl Polyphosphines: Aurophilic Gold Chloride Formation and Phosphine-Concerted Shuttling of a Dinuclear [ClAu···AuCl] Fragment.","Inorganic chemistry","2016","55","21","10907","10921","10.1021/acs.inorgchem.6b01318","","x-ray","0.71069","MoKα","","0.0424","0.0411","","","0.091","0.0915","","","","","","1.374","","","","has coordinates,has disorder","233064","2020-10-21","18:00:00",""
"4348537","18.6943","0.0005","17.5593","0.0005","16.7946","0.0005","90","","108.199","0.001","90","","5237.2","0.3","100","","100.01","","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C52 H68 Au2 Cl2 Fe O2 P2 Si2 -","- C52 H68 Au2 Cl2 Fe O2 P2 Si2 -","- C208 H272 Au8 Cl8 Fe4 O8 P8 Si8 -","4","0.5","","Rampazzi, Vincent; Roger, Julien; Amardeil, Régine; Penouilh, Marie-José; Richard, Philippe; Fleurat-Lessard, Paul; Hierso, Jean-Cyrille","Gold(I) Complexes of Ferrocenyl Polyphosphines: Aurophilic Gold Chloride Formation and Phosphine-Concerted Shuttling of a Dinuclear [ClAu···AuCl] Fragment.","Inorganic chemistry","2016","55","21","10907","10921","10.1021/acs.inorgchem.6b01318","","x-ray","0.71073","MoKα","","0.0288","0.0193","","","0.0355","0.0377","","","","","","1.074","","","","has coordinates","233064","2020-10-21","18:00:00",""
"4348538","13.5986","0.0001","21.2402","0.0002","31.0125","0.0003","90","","90","","90","","8957.56","0.14","173","2","173","2","","","","","","","synthesis","7","P 21 21 21","P 2ac 2ab","19","","","","- C36 H46 Ag2 F6 N6 O10 S2 -","- C36 H46 Ag2 F6 N6 O10 S2 -","- C288 H368 Ag16 F48 N48 O80 S16 -","8","2","","Borrajo-Calleja, Gustavo M; de Julián, Eire; Bayón, Esther; Díez, Josefina; Lastra, Elena; Merino, Isabel; Gamasa, M. Pilar","Synthesis of Silver(I) and Gold(I) Complexes Containing Enantiopure Pybox Ligands. First Assays on the Silver(I)-Catalyzed Asymmetric Addition of Alkynes to Imines.","Inorganic chemistry","2016","55","17","8794","8807","10.1021/acs.inorgchem.6b01323","","","1.5418","CuKα","","0.0472","0.0442","","","0.1175","0.1218","","","","","","1.025","","","","has coordinates","233068","2020-10-21","18:00:00",""
"4348539","12.8183","0.0002","16.1215","0.0002","23.4147","0.0004","90","","90","","90","","4838.65","0.13","100","2","100","2","","","","","","","synthesis","7","P 21 21 21","P 2ac 2ab","19","","","","- C52 H38 Ag2 F6 N6 O10 S2 -","- C52 H38 Ag2 F6 N6 O10 S2 -","- C208 H152 Ag8 F24 N24 O40 S8 -","4","1","","Borrajo-Calleja, Gustavo M; de Julián, Eire; Bayón, Esther; Díez, Josefina; Lastra, Elena; Merino, Isabel; Gamasa, M. Pilar","Synthesis of Silver(I) and Gold(I) Complexes Containing Enantiopure Pybox Ligands. First Assays on the Silver(I)-Catalyzed Asymmetric Addition of Alkynes to Imines.","Inorganic chemistry","2016","55","17","8794","8807","10.1021/acs.inorgchem.6b01323","","","1.5418","CuKα","","0.0404","0.0348","","","0.079","0.0829","","","","","","1.046","","","","has coordinates","233068","2020-10-21","18:00:00",""
"4348540","18.8039","0.0003","12.5654","0.0001","21.0568","0.0003","90","","111.442","0.002","90","","4630.92","0.12","123","2","123","2","","","","","","","synthesis","7","P 1 21 1","P 2yb","4","","","","- C44 H42 Ag2 F6 N6 O10 S2 -","- C44 H42 Ag2 F6 N6 O10 S2 -","- C176 H168 Ag8 F24 N24 O40 S8 -","4","2","","Borrajo-Calleja, Gustavo M; de Julián, Eire; Bayón, Esther; Díez, Josefina; Lastra, Elena; Merino, Isabel; Gamasa, M. Pilar","Synthesis of Silver(I) and Gold(I) Complexes Containing Enantiopure Pybox Ligands. First Assays on the Silver(I)-Catalyzed Asymmetric Addition of Alkynes to Imines.","Inorganic chemistry","2016","55","17","8794","8807","10.1021/acs.inorgchem.6b01323","","","1.5418","CuKα","","0.0635","0.052","","","0.1304","0.1416","","","","","","1.017","","","","has coordinates","233068","2020-10-21","18:00:00",""
"4348541","23.8574","0.0006","15.1992","0.0003","11.4192","0.0002","90","","103.804","0.002","90","","4021.16","0.15","123","2","123","2","","","","","","","synthesis","8","C 1 2 1","C 2y","5","","","","- C34.5 H47 Ag Cl F6 N6 O4 Sb -","- C34.5 H47 Ag Cl F6 N6 O4 Sb -","- C138 H188 Ag4 Cl4 F24 N24 O16 Sb4 -","4","1","","Borrajo-Calleja, Gustavo M; de Julián, Eire; Bayón, Esther; Díez, Josefina; Lastra, Elena; Merino, Isabel; Gamasa, M. Pilar","Synthesis of Silver(I) and Gold(I) Complexes Containing Enantiopure Pybox Ligands. First Assays on the Silver(I)-Catalyzed Asymmetric Addition of Alkynes to Imines.","Inorganic chemistry","2016","55","17","8794","8807","10.1021/acs.inorgchem.6b01323","","","1.5418","CuKα","","0.0428","0.0386","","","0.1042","0.1087","","","","","","1.085","","","","has coordinates","233068","2020-10-21","18:00:00",""
"4348542","12.818","0.005","11.676","0.005","14.992","0.005","90","0.005","95.998","0.005","90","0.005","2231.5","1.5","100","2","100","2","","","","","","","synthesis","8","P 1 21 1","P 2yb","4","","","","- C51 H40 Ag B Cl2 F4 N6 O4 -","- C51 H40 Ag B Cl2 F4 N6 O4 -","- C102 H80 Ag2 B2 Cl4 F8 N12 O8 -","2","1","","Borrajo-Calleja, Gustavo M; de Julián, Eire; Bayón, Esther; Díez, Josefina; Lastra, Elena; Merino, Isabel; Gamasa, M. Pilar","Synthesis of Silver(I) and Gold(I) Complexes Containing Enantiopure Pybox Ligands. First Assays on the Silver(I)-Catalyzed Asymmetric Addition of Alkynes to Imines.","Inorganic chemistry","2016","55","17","8794","8807","10.1021/acs.inorgchem.6b01323","","","1.5418","CuKα","","0.0527","0.0525","","","0.1411","0.1414","","","","","","1.057","","","","has coordinates","233068","2020-10-21","18:00:00",""
"4348543","13.6217","0.0005","21.2392","0.0008","13.9381","0.0006","90","","117.097","0.005","90","","3589.9","0.3","150","2","150","2","","","","","","","","8","P 1 21 1","P 2yb","4","","","","- C78 H59 Ag2 Cl2 F6 N9 O12 S2 -","- C78 H59 Ag2 Cl2 F6 N9 O12 S2 -","- C156 H118 Ag4 Cl4 F12 N18 O24 S4 -","2","1","","Borrajo-Calleja, Gustavo M; de Julián, Eire; Bayón, Esther; Díez, Josefina; Lastra, Elena; Merino, Isabel; Gamasa, M. Pilar","Synthesis of Silver(I) and Gold(I) Complexes Containing Enantiopure Pybox Ligands. First Assays on the Silver(I)-Catalyzed Asymmetric Addition of Alkynes to Imines.","Inorganic chemistry","2016","55","17","8794","8807","10.1021/acs.inorgchem.6b01323","","","1.5418","CuKα","","0.0864","0.0685","","","0.1857","0.2076","","","","","","1.026","","","","has coordinates","233068","2020-10-21","18:00:00",""
"4348544","13.7551","0.0009","21.2733","0.0009","13.9694","0.0008","90","","116.471","0.008","90","","3659.1","0.4","150","1","150","2","","","","","","","synthesis","8","P 1 21 1","P 2yb","4","","","","- C76 H59 Ag2 Cl2 F12 N9 O6 Sb2 -","- C76 H59 Ag2 Cl2 F12 N9 O6 Sb2 -","- C152 H118 Ag4 Cl4 F24 N18 O12 Sb4 -","2","1","","Borrajo-Calleja, Gustavo M; de Julián, Eire; Bayón, Esther; Díez, Josefina; Lastra, Elena; Merino, Isabel; Gamasa, M. Pilar","Synthesis of Silver(I) and Gold(I) Complexes Containing Enantiopure Pybox Ligands. First Assays on the Silver(I)-Catalyzed Asymmetric Addition of Alkynes to Imines.","Inorganic chemistry","2016","55","17","8794","8807","10.1021/acs.inorgchem.6b01323","","","1.5418","CuKα","","0.0851","0.0774","","","0.2223","0.2308","","","","","","1.088","","","","has coordinates","233068","2020-10-21","18:00:00",""
"4348545","9.9624","0.0002","27.3747","0.0006","18.1167","0.0003","90","","95.148","0.002","90","","4920.82","0.17","123","2","123","2","","","","","","","synthesis","6","P 1 21 1","P 2yb","4","","","","- C39 H57 Au4 Cl4 N6 O5.5 -","- C39 H57 Au4 Cl4 N6 O5.5 -","- C156 H228 Au16 Cl16 N24 O22 -","4","2","","Borrajo-Calleja, Gustavo M; de Julián, Eire; Bayón, Esther; Díez, Josefina; Lastra, Elena; Merino, Isabel; Gamasa, M. Pilar","Synthesis of Silver(I) and Gold(I) Complexes Containing Enantiopure Pybox Ligands. First Assays on the Silver(I)-Catalyzed Asymmetric Addition of Alkynes to Imines.","Inorganic chemistry","2016","55","17","8794","8807","10.1021/acs.inorgchem.6b01323","","","1.5418","CuKα","","0.0504","0.0474","","","0.1233","0.1263","","","","","","1.04","","","","has coordinates","255262","2020-10-21","18:00:00",""
"4348546","9.3781","0.0018","18.8","0.004","21.954","0.005","90","","90","","90","","3870.7","1.4","296","2","296","2","","","","","","","","4","P c c n","-P 2ab 2ac","56","","","","- C44 H30 Co O14 -","- C44 H30 Co O14 -","- C176 H120 Co4 O56 -","4","0.5","","Yan, Wei; Han, Li-Juan; Jia, Hai-Lang; Shen, Kang; Wang, Ting; Zheng, He-Gen","Three Highly Stable Cobalt MOFs Based on ""Y""-Shaped Carboxylic Acid: Synthesis and Absorption of Anionic Dyes.","Inorganic chemistry","2016","55","17","8816","8821","10.1021/acs.inorgchem.6b01328","","","0.71073","MoKα","","0.0498","0.0397","","","0.0941","0.099","","","","","","1.069","","","","has coordinates","233071","2020-10-21","18:00:00",""
"4348547","9.0318","0.0013","14.344","0.002","14.923","0.002","116.811","0.002","94.012","0.002","98.805","0.002","1683.8","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C40 H30 Co N4 O8 -","- C40 H30 Co N4 O8 -","- C80 H60 Co2 N8 O16 -","2","1","","Yan, Wei; Han, Li-Juan; Jia, Hai-Lang; Shen, Kang; Wang, Ting; Zheng, He-Gen","Three Highly Stable Cobalt MOFs Based on ""Y""-Shaped Carboxylic Acid: Synthesis and Absorption of Anionic Dyes.","Inorganic chemistry","2016","55","17","8816","8821","10.1021/acs.inorgchem.6b01328","","","0.71073","MoKα","","0.0585","0.0455","","","0.1365","0.164","","","","","","1.114","","","","has coordinates","233071","2020-10-21","18:00:00",""
"4348548","11.4194","0.0005","11.5003","0.0004","12.9926","0.0005","69.918","0.001","81.255","0.001","87.569","0.001","1583.82","0.11","296","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C74 H54 Co3 N6 O16 -","- C74 H54 Co3 N6 O16 -","- C74 H54 Co3 N6 O16 -","1","0.5","","Yan, Wei; Han, Li-Juan; Jia, Hai-Lang; Shen, Kang; Wang, Ting; Zheng, He-Gen","Three Highly Stable Cobalt MOFs Based on ""Y""-Shaped Carboxylic Acid: Synthesis and Absorption of Anionic Dyes.","Inorganic chemistry","2016","55","17","8816","8821","10.1021/acs.inorgchem.6b01328","","","0.71073","MoKα","","0.0606","0.0502","","","0.138","0.1455","","","","","","1.108","","","","has coordinates","233071","2020-10-21","18:00:00",""
"4348549","23.209","0.005","33.798","0.005","14.531","0.005","90","","90","","90","","11398","5","293","2","293","2","","","","","","","","7","C m c m","-C 2c 2","63","","","","- C50 H72.5 Cl3 N7.5 O53 S6 V15 -","- C36 H12 Cl3 O51 S6 V15 -","- C144 H48 Cl12 O204 S24 V60 -","4","0.25","","Zhang, Yuteng; Wang, Xinlong; Li, Shuangbao; Song, Baiqiao; Shao, Kuizhan; Su, Zhongmin","Ligand-Directed Assembly of Polyoxovanadate-Based Metal-Organic Polyhedra.","Inorganic chemistry","2016","55","17","8770","8775","10.1021/acs.inorgchem.6b01338","","","0.71069","MoKα","","0.0525","0.0394","","","0.1153","0.1229","","","","","","1.071","","","","has coordinates","233074","2020-10-21","18:00:00",""
"4348550","30.062","0.005","30.062","0.005","30.062","0.005","90","","90","","90","","27168","8","293","2","293","2","","","","","","","","6","I m -3","-I 2 2 3","204","","","","- C89.5 H119 Cl4 N11 O71.5 V20 -","- C64 H32 Cl4 O68 V20 -","- C384 H192 Cl24 O408 V120 -","6","0.125","","Zhang, Yuteng; Wang, Xinlong; Li, Shuangbao; Song, Baiqiao; Shao, Kuizhan; Su, Zhongmin","Ligand-Directed Assembly of Polyoxovanadate-Based Metal-Organic Polyhedra.","Inorganic chemistry","2016","55","17","8770","8775","10.1021/acs.inorgchem.6b01338","","","0.71069","MoKα","","0.0857","0.0513","","","0.1512","0.1987","","","","","","0.997","","","","has coordinates","233074","2020-10-21","18:00:00",""
"4348551","36.44","0.005","36.44","0.005","36.44","0.005","90","","90","","90","","48388","11","293","2","293","2","","","","","","","","6","F m -3 m","-F 4 2 3","225","","","","- C193 H227 Cl6 N20 O110.5 V30 -","- C144 Cl6 O102 V30 -","- C576 Cl24 O408 V120 -","4","0.0208333","","Zhang, Yuteng; Wang, Xinlong; Li, Shuangbao; Song, Baiqiao; Shao, Kuizhan; Su, Zhongmin","Ligand-Directed Assembly of Polyoxovanadate-Based Metal-Organic Polyhedra.","Inorganic chemistry","2016","55","17","8770","8775","10.1021/acs.inorgchem.6b01338","","","0.71069","MoKα","","0.1139","0.0824","","","0.2526","0.2822","","","","","","1.027","","","","has coordinates,has disorder","233074","2020-10-21","18:00:00",""
"4348552","11.105","0.0004","16.4221","0.0006","13.9815","0.0005","90","","90","","90","","2549.77","0.16","293","2","293","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C10 H30 Co3 N2 O23 S2 -","- C10 H30 Co3 N2 O23 S2 -","- C40 H120 Co12 N8 O92 S8 -","4","0.5","","Guo, Furong; Chen, Cheng; Wang, Kangcai; Zhang, Qinghua; Lin, Zhien","Supramolecular Templating Approach for the Solvent-Free Synthesis of Open-Framework Metal Oxalates.","Inorganic chemistry","2016","55","16","7817","7819","10.1021/acs.inorgchem.6b01341","","x-ray","1.54184","CuKα","","0.1143","0.0739","","","0.1712","0.205","","","","","","1.008","","","","has coordinates","233077","2020-10-21","18:00:00",""
"4348553","15.2321","0.0004","11.482","0.0002","13.4913","0.0004","90","","114.52","0.004","90","","2146.77","0.12","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H17 Bi2 N2 O20 -","- C12 H17 Bi2 N2 O20 -","- C48 H68 Bi8 N8 O80 -","4","1","","Guo, Furong; Chen, Cheng; Wang, Kangcai; Zhang, Qinghua; Lin, Zhien","Supramolecular Templating Approach for the Solvent-Free Synthesis of Open-Framework Metal Oxalates.","Inorganic chemistry","2016","55","16","7817","7819","10.1021/acs.inorgchem.6b01341","","x-ray","0.71073","MoKα","","0.0378","0.0301","","","0.0613","0.064","","","","","","1.104","","","","has coordinates","233078","2020-10-21","18:00:00",""
"4348554","13.3554","0.0002","15.6931","0.0002","10.45393","0.00015","90","","102.455","0.0015","90","","2139.45","0.05","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C32 H64 Mn2 N4 O16 -","- C32 H64 Mn2 N4 O16 -","- C64 H128 Mn4 N8 O32 -","2","0.5","","Guo, Furong; Chen, Cheng; Wang, Kangcai; Zhang, Qinghua; Lin, Zhien","Supramolecular Templating Approach for the Solvent-Free Synthesis of Open-Framework Metal Oxalates.","Inorganic chemistry","2016","55","16","7817","7819","10.1021/acs.inorgchem.6b01341","","x-ray","1.54184","CuKα","","0.0571","0.0523","","","0.1444","0.1496","","","","","","1.043","","","","has coordinates","233080","2020-10-21","18:00:00",""
"4348555","25.1335","0.0002","25.1335","0.0002","9.74539","0.00012","90","","90","","90","","6156.09","0.1","292.7","0.18","292.7","0.18","","","","","","","","5","I 41/a :2","-I 4ad","88","","","","- C11 H16 In N2 O10 -","- C11 H16 In N2 O10 -","- C176 H256 In16 N32 O160 -","16","1","","Guo, Furong; Chen, Cheng; Wang, Kangcai; Zhang, Qinghua; Lin, Zhien","Supramolecular Templating Approach for the Solvent-Free Synthesis of Open-Framework Metal Oxalates.","Inorganic chemistry","2016","55","16","7817","7819","10.1021/acs.inorgchem.6b01341","","x-ray","1.54184","CuKα","","0.0432","0.0409","","","0.103","0.1056","","","","","","1.066","","","","has coordinates","233083","2020-10-21","18:00:00",""
"4348556","26.0767","0.0006","26.0767","0.0006","8.9467","0.0003","90","","90","","90","","6083.7","0.3","293.55","0.1","293.55","0.1","","","","","","","","6","I 41/a :2","-I 4ad","88","","","","- C9 H16 In N2 O10 S -","- C9 H16 In N2 O10 S -","- C144 H256 In16 N32 O160 S16 -","16","1","","Guo, Furong; Chen, Cheng; Wang, Kangcai; Zhang, Qinghua; Lin, Zhien","Supramolecular Templating Approach for the Solvent-Free Synthesis of Open-Framework Metal Oxalates.","Inorganic chemistry","2016","55","16","7817","7819","10.1021/acs.inorgchem.6b01341","","x-ray","0.71073","MoKα","","0.0325","0.0266","","","0.064","0.0684","","","","","","1.033","","","","has coordinates","233085","2020-10-21","18:00:00",""
"4348557","11.1058","0.00011","16.34489","0.00016","14.00636","0.00014","90","","90","","90","","2542.48","0.04","293","2","293","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C10 H30 N2 O23 S2 Zn3 -","- C10 H30 N2 O23 S2 Zn3 -","- C40 H120 N8 O92 S8 Zn12 -","4","0.5","","Guo, Furong; Chen, Cheng; Wang, Kangcai; Zhang, Qinghua; Lin, Zhien","Supramolecular Templating Approach for the Solvent-Free Synthesis of Open-Framework Metal Oxalates.","Inorganic chemistry","2016","55","16","7817","7819","10.1021/acs.inorgchem.6b01341","","x-ray","1.54184","CuKα","","0.0457","0.0441","","","0.1239","0.1261","","","","","","1.061","","","","has coordinates","233087","2020-10-21","18:00:00",""
"4348558","9.6791","0.0004","9.7647","0.0004","15.2953","0.0006","90","","90.132","0.0009","90","","1445.61","0.1","100","0.5","100","0.5","","","","","","","","6","P 1 21/n 1","-P 2yn","14","matlf04","","","- C12 H36 Cl1.74 Fe1.74 O17.26 V4.26 -","- C12 H36 Cl1.74 Fe1.74 O17.26 V4.26 -","- C24 H72 Cl3.48 Fe3.48 O34.52 V8.52 -","2","0.5","","Li, Feng; VanGelder, Lauren E.; Brennessel, William W.; Matson, Ellen M.","Self-Assembled, Iron-Functionalized Polyoxovanadate Alkoxide Clusters.","Inorganic chemistry","2016","55","15","7332","7334","10.1021/acs.inorgchem.6b01349","","","0.71073","MoKα","","0.075","0.0467","","","0.1231","0.1396","","","","","","1.06","","","","has coordinates,has disorder","233089","2020-10-21","18:00:00",""
"4348559","12.89","0.0007","8.5766","0.0005","18.6133","0.0011","90","","102.501","0.004","90","","2009","0.2","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C42 H38 Au2 N6 P2 S2 -","- C42 H38 Au2 N6 P2 S2 -","- C84 H76 Au4 N12 P4 S4 -","2","0.5","","González-Barcia, Luis M; Romero, María J; González Noya, Ana M; Bermejo, Manuel R.; Maneiro, Marcelino; Zaragoza, Guillermo; Pedrido, Rosa","""The Golden Method"": Electrochemical Synthesis Is an Efficient Route to Gold Complexes.","Inorganic chemistry","2016","55","16","7823","7825","10.1021/acs.inorgchem.6b01362","","x-ray","0.7107","MoKα","","0.0321","0.0244","","","0.0437","0.0455","","","","","","1.032","","","","has coordinates","233091","2020-10-21","18:00:00",""
"4348560","10.798","0.001","22.303","0.002","11.3535","0.0009","90","","91.038","0.004","90","","2733.8","0.4","100","2","100","2","","","","","","","synthesis as described","7","P 1 21 1","P 2yb","4","","","","- C58 H52 Au2 N8 O2 P2 S2 -","- C58 H52 Au2 N8 O2 P2 S2 -","- C116 H104 Au4 N16 O4 P4 S4 -","2","1","","González-Barcia, Luis M; Romero, María J; González Noya, Ana M; Bermejo, Manuel R.; Maneiro, Marcelino; Zaragoza, Guillermo; Pedrido, Rosa","""The Golden Method"": Electrochemical Synthesis Is an Efficient Route to Gold Complexes.","Inorganic chemistry","2016","55","16","7823","7825","10.1021/acs.inorgchem.6b01362","","x-ray","0.7107","MoKα","","0.0825","0.0606","","","0.1342","0.1446","","","","","","1.004","","","","has coordinates","233091","2020-10-21","18:00:00",""
"4348561","12.3325","0.0007","17.5209","0.001","13.345","0.0007","90","","92.571","0.001","90","","2880.6","0.3","100","2","100","2","","","","","","","","8","P 1 21/m 1","-P 2yb","11","[FeTFPPBr8(2-MeHIm)]","","","- C53 H16 Br8 Cl2 F20 Fe N6 O -","- C52.999 H16 Br8 Cl2.001 F20 Fe N6 O -","- C105.998 H32 Br16 Cl4.002 F40 Fe2 N12 O2 -","2","0.5","","Hu, Bin; He, Mingrui; Yao, Zhen; Schulz, Charles E.; Li, Jianfeng","Unique Axial Imidazole Geometries of Fully Halogenated Iron(II) Porphyrin Complexes: Crystal Structures and Mössbauer Spectroscopic Studies.","Inorganic chemistry","2016","55","19","9632","9643","10.1021/acs.inorgchem.6b01364","","","0.71073","MoKα","","0.0697","0.0493","","","0.1081","0.1171","","","","","","1.054","","","","has coordinates,has disorder","233094","2020-10-21","18:00:00",""
"4348562","14.4655","0.0004","14.5702","0.0006","15.1292","0.0008","115.772","0.005","106.42","0.003","90.825","0.003","2719.4","0.2","150","2","150","2","","","","","","","","6","P -1","-P 1","2","[Fe(TFPPBr8)(1-MeIm)2]","","","- C52 H12 Br8 F20 Fe N8 -","- C52 H12 Br8 F20 Fe N8 -","- C104 H24 Br16 F40 Fe2 N16 -","2","1","","Hu, Bin; He, Mingrui; Yao, Zhen; Schulz, Charles E.; Li, Jianfeng","Unique Axial Imidazole Geometries of Fully Halogenated Iron(II) Porphyrin Complexes: Crystal Structures and Mössbauer Spectroscopic Studies.","Inorganic chemistry","2016","55","19","9632","9643","10.1021/acs.inorgchem.6b01364","","","0.71073","MoKα","","0.0647","0.0401","","","0.0816","0.0907","","","","","","1.045","","","","has coordinates","233096","2020-10-21","18:00:00",""
"4348563","14.3704","0.0008","14.3747","0.0007","15.2954","0.0008","78.4159","0.0016","63.6903","0.0017","89.2151","0.0016","2764.4","0.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","[FeTFPPBr8(1-EtIm)2]","","","- C54 H16 Br8 F20 Fe N8 -","- C54 H16 Br8 F20 Fe N8 -","- C108 H32 Br16 F40 Fe2 N16 -","2","1","","Hu, Bin; He, Mingrui; Yao, Zhen; Schulz, Charles E.; Li, Jianfeng","Unique Axial Imidazole Geometries of Fully Halogenated Iron(II) Porphyrin Complexes: Crystal Structures and Mössbauer Spectroscopic Studies.","Inorganic chemistry","2016","55","19","9632","9643","10.1021/acs.inorgchem.6b01364","","","0.71073","MoKα","","0.066","0.0467","","","0.1023","0.11","","","","","","1.069","","","","has coordinates","233098","2020-10-21","18:00:00",""
"4348564","10.7966","0.0005","26.7015","0.0013","20.2519","0.0012","90","","102.816","0.002","90","","5692.9","0.5","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","[FeTFPPBr8(1-MeIm)2]","","","- C53 H14 Br8 Cl2 F20 Fe N8 -","- C53 H14 Br8 Cl2 F20 Fe N8 -","- C212 H56 Br32 Cl8 F80 Fe4 N32 -","4","1","","Hu, Bin; He, Mingrui; Yao, Zhen; Schulz, Charles E.; Li, Jianfeng","Unique Axial Imidazole Geometries of Fully Halogenated Iron(II) Porphyrin Complexes: Crystal Structures and Mössbauer Spectroscopic Studies.","Inorganic chemistry","2016","55","19","9632","9643","10.1021/acs.inorgchem.6b01364","","","0.71073","MoKα","","0.0499","0.0333","","","0.072","0.0782","","","","","","1.017","","","","has coordinates,has disorder","233100","2020-10-21","18:00:00",""
"4348565","11.5","0.0005","9.1978","0.0003","15.3517","0.0004","90","","95.622","0.003","90","","1616.01","0.1","150","0.2","150","0.2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C16 H17 Ag N2 O3 S -","- C16 H17 Ag N2 O3 S -","- C64 H68 Ag4 N8 O12 S4 -","4","1","","Lamming, Glenn; El-Zubir, Osama; Kolokotroni, James; McGurk, Christopher; Waddell, Paul G.; Probert, Michael R.; Houlton, Andrew","Two-Dimensional Frameworks Based on Ag(I)-N Bond Formation: Single Crystal to Single Molecular Sheet Transformation.","Inorganic chemistry","2016","55","19","9644","9652","10.1021/acs.inorgchem.6b01365","","x-ray","1.54184","CuKα","","0.0443","0.0287","","","0.0588","0.0652","","","","","","1.046","","","","has coordinates","233103","2020-10-21","18:00:00",""
"4348566","9.3925","0.0003","9.9084","0.0003","13.2719","0.0004","94.846","0.003","101.249","0.003","102.148","0.003","1174.1","0.07","150","0.1","150","0.1","","","","","","","","7","P -1","-P 1","2","","","","- C21 H23 Ag F3 N5 O3 S -","- C21 H23 Ag F3 N5 O3 S -","- C42 H46 Ag2 F6 N10 O6 S2 -","2","1","","Lamming, Glenn; El-Zubir, Osama; Kolokotroni, James; McGurk, Christopher; Waddell, Paul G.; Probert, Michael R.; Houlton, Andrew","Two-Dimensional Frameworks Based on Ag(I)-N Bond Formation: Single Crystal to Single Molecular Sheet Transformation.","Inorganic chemistry","2016","55","19","9644","9652","10.1021/acs.inorgchem.6b01365","","","1.54184","CuKα","","0.026","0.0231","","","0.054","0.0555","","","","","","1.062","","","","has coordinates,has disorder","233103","2020-10-21","18:00:00",""
"4348567","8.1169","0.0003","11.048","0.0005","12.3782","0.0005","106.187","0.004","101.424","0.003","102.635","0.003","999.67","0.08","150","0.2","150","0.2","","","","","","","","7","P -1","-P 1","2","","","","- C18 H22 Ag F2 N4 O3 P -","- C18 H22 Ag F2 N4 O3 P -","- C36 H44 Ag2 F4 N8 O6 P2 -","2","1","","Lamming, Glenn; El-Zubir, Osama; Kolokotroni, James; McGurk, Christopher; Waddell, Paul G.; Probert, Michael R.; Houlton, Andrew","Two-Dimensional Frameworks Based on Ag(I)-N Bond Formation: Single Crystal to Single Molecular Sheet Transformation.","Inorganic chemistry","2016","55","19","9644","9652","10.1021/acs.inorgchem.6b01365","","x-ray","1.54184","CuKα","","0.0299","0.0239","","","0.053","0.0555","","","","","","1.019","","","","has coordinates","233103","2020-10-21","18:00:00",""
"4348568","6.0581","0.0004","5.5638","0.0004","23.2277","0.0014","90","","93.8144","0.0019","90","","781.18","0.09","120","","120","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C18 H20 N4 -","- C18 H20 N4 -","- C36 H40 N8 -","2","0.5","","Lamming, Glenn; El-Zubir, Osama; Kolokotroni, James; McGurk, Christopher; Waddell, Paul G.; Probert, Michael R.; Houlton, Andrew","Two-Dimensional Frameworks Based on Ag(I)-N Bond Formation: Single Crystal to Single Molecular Sheet Transformation.","Inorganic chemistry","2016","55","19","9644","9652","10.1021/acs.inorgchem.6b01365","","x-ray","0.71073","MoKα","","0.0427","0.0395","","","0.1031","0.1063","","","","","","1.053","","","","has coordinates","233103","2020-10-21","18:00:00",""
"4348569","16.6724","0.0004","9.2766","0.0002","21.1588","0.0005","90","","95.71","0.002","90","","3256.25","0.13","150","","150","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C68 H100 Mg N12 O4 -","- C68 H100 Mg N12 O4 -","- C136 H200 Mg2 N24 O8 -","2","0.5","","Chen, Yuxiang; Fang, Wenjuan; Wang, Kang; Liu, Wei; Jiang, Jianzhuang","Nonperipheral Tetrakis(dibutylamino)phthalocyanines. New Types of 1,8,15,22-Tetrakis(substituted)phthalocyanine Isomers.","Inorganic chemistry","2016","55","18","9289","9296","10.1021/acs.inorgchem.6b01371","","","1.54178","CuKα","","0.0776","0.0713","","","0.1977","0.2039","","","","","","1.032","","","","has coordinates","233106","2020-10-21","18:00:00",""
"4348570","12.2314","0.0002","15.5267","0.0002","15.3175","0.0002","90","","92.414","0.001","90","","2906.42","0.07","150","","150","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C64 H84 N12 Ni -","- C64 H84 N12 Ni -","- C128 H168 N24 Ni2 -","2","0.5","","Chen, Yuxiang; Fang, Wenjuan; Wang, Kang; Liu, Wei; Jiang, Jianzhuang","Nonperipheral Tetrakis(dibutylamino)phthalocyanines. New Types of 1,8,15,22-Tetrakis(substituted)phthalocyanine Isomers.","Inorganic chemistry","2016","55","18","9289","9296","10.1021/acs.inorgchem.6b01371","","","1.54178","CuKα","","0.0674","0.0625","","","0.1676","0.1719","","","","","","1.043","","","","has coordinates,has disorder","233108","2020-10-21","18:00:00",""
"4348571","12.2251","0.0003","15.5805","0.0004","15.2914","0.0004","90","","92.105","0.002","90","","2910.64","0.13","150","","150","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C64 H86 N12 -","- C64 H86 N12 -","- C128 H172 N24 -","2","0.5","","Chen, Yuxiang; Fang, Wenjuan; Wang, Kang; Liu, Wei; Jiang, Jianzhuang","Nonperipheral Tetrakis(dibutylamino)phthalocyanines. New Types of 1,8,15,22-Tetrakis(substituted)phthalocyanine Isomers.","Inorganic chemistry","2016","55","18","9289","9296","10.1021/acs.inorgchem.6b01371","","","1.54178","CuKα","","0.0741","0.0637","","","0.1762","0.1861","","","","","","1.075","","","","has coordinates,has disorder","233110","2020-10-21","18:00:00",""
"4348572","16.5256","0.0005","9.3003","0.0003","21.1688","0.0007","90","","94.436","0.003","90","","3243.75","0.18","150","","150","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C68 H100 N12 O4 Zn -","- C68 H100 N12 O4 Zn -","- C136 H200 N24 O8 Zn2 -","2","0.5","","Chen, Yuxiang; Fang, Wenjuan; Wang, Kang; Liu, Wei; Jiang, Jianzhuang","Nonperipheral Tetrakis(dibutylamino)phthalocyanines. New Types of 1,8,15,22-Tetrakis(substituted)phthalocyanine Isomers.","Inorganic chemistry","2016","55","18","9289","9296","10.1021/acs.inorgchem.6b01371","","","1.54178","CuKα","","0.0752","0.0634","","","0.1505","0.1565","","","","","","1.052","","","","has coordinates","233112","2020-10-21","18:00:00",""
"4348573","11.138","0.006","6.934","0.004","13.505","0.008","90","","110.741","0.007","90","","975.4","1","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C10 H24 B2 Cl6 P2 -","- C10 H24 B2 Cl6 P2 -","- C20 H48 B4 Cl12 P4 -","2","0.5","","Burt, Jennifer; Emsley, James W.; Levason, William; Reid, Gillian; Tinkler, Iain S.","Systematics of BX3 and BX2(+) Complexes (X = F, Cl, Br, I) with Neutral Diphosphine and Diarsine Ligands.","Inorganic chemistry","2016","55","17","8852","8864","10.1021/acs.inorgchem.6b01375","","","0.71073","MoKα","","0.032","0.0286","","","0.0568","0.058","","","","","","0.969","","","","has coordinates","233115","2020-10-21","18:00:00",""
"4348574","10.7029","0.0019","11.82","0.002","19.582","0.004","85.694","0.006","85.145","0.006","77.051","0.005","2401.6","0.8","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C10 H24 B2 I6 P2 -","- C10 H24 B2 I6 P2 -","- C40 H96 B8 I24 P8 -","4","2","","Burt, Jennifer; Emsley, James W.; Levason, William; Reid, Gillian; Tinkler, Iain S.","Systematics of BX3 and BX2(+) Complexes (X = F, Cl, Br, I) with Neutral Diphosphine and Diarsine Ligands.","Inorganic chemistry","2016","55","17","8852","8864","10.1021/acs.inorgchem.6b01375","","","0.71073","MoKα","","0.0215","0.0191","","","0.0391","0.0398","","","","","","0.871","","","","has coordinates","233117","2020-10-21","18:00:00",""
"4348575","10.3485","0.0015","13.475","0.002","13.74","0.002","90","","90","","90","","1916","0.5","100","2","100","2","","","","","","","","5","C m c 21","C 2c -2","36","","","","- C10 H16 B2 Cl6 P2 -","- C10 H16 B2 Cl6 P2 -","- C40 H64 B8 Cl24 P8 -","4","0.5","","Burt, Jennifer; Emsley, James W.; Levason, William; Reid, Gillian; Tinkler, Iain S.","Systematics of BX3 and BX2(+) Complexes (X = F, Cl, Br, I) with Neutral Diphosphine and Diarsine Ligands.","Inorganic chemistry","2016","55","17","8852","8864","10.1021/acs.inorgchem.6b01375","","","0.71073","MoKα","","0.0297","0.0282","","","0.0686","0.0693","","","","","","1.009","","","","has coordinates","233119","2020-10-21","18:00:00",""
"4348576","6.636","0.002","19.987","0.008","6.566","0.002","90","","108.286","0.009","90","","826.9","0.5","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C10 H24 B2 F6 P2 -","- C10 H24 B2 F6 P2 -","- C20 H48 B4 F12 P4 -","2","0.5","","Burt, Jennifer; Emsley, James W.; Levason, William; Reid, Gillian; Tinkler, Iain S.","Systematics of BX3 and BX2(+) Complexes (X = F, Cl, Br, I) with Neutral Diphosphine and Diarsine Ligands.","Inorganic chemistry","2016","55","17","8852","8864","10.1021/acs.inorgchem.6b01375","","","0.71073","MoKα","","0.0483","0.0352","","","0.085","0.0908","","","","","","0.974","","","","has coordinates","233121","2020-10-21","18:00:00",""
"4348577","10.446","0.004","10.871","0.004","12.47","0.005","71.531","0.013","86.113","0.014","85.936","0.015","1338.2","0.9","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C25 H22 B3 F9 O2 P2 -","- C25 H22 B3 F9 O2 P2 -","- C50 H44 B6 F18 O4 P4 -","2","1","","Burt, Jennifer; Emsley, James W.; Levason, William; Reid, Gillian; Tinkler, Iain S.","Systematics of BX3 and BX2(+) Complexes (X = F, Cl, Br, I) with Neutral Diphosphine and Diarsine Ligands.","Inorganic chemistry","2016","55","17","8852","8864","10.1021/acs.inorgchem.6b01375","","","0.71073","MoKα","","0.1488","0.0802","","","0.1983","0.2387","","","","","","0.962","","","","has coordinates","233122","2020-10-21","18:00:00",""
"4348578","5.838","0.006","9.17","0.009","6.675","0.007","90","","113.359","0.011","90","","328.1","0.6","100","2","100","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C3 H9 B F3 P -","- C3 H9 B F3 P -","- C6 H18 B2 F6 P2 -","2","0.5","","Burt, Jennifer; Emsley, James W.; Levason, William; Reid, Gillian; Tinkler, Iain S.","Systematics of BX3 and BX2(+) Complexes (X = F, Cl, Br, I) with Neutral Diphosphine and Diarsine Ligands.","Inorganic chemistry","2016","55","17","8852","8864","10.1021/acs.inorgchem.6b01375","","","0.71073","MoKα","","0.1229","0.0974","","","0.2255","0.24","","","","","","1.01","","","","has coordinates","233124","2020-10-21","18:00:00",""
"4348579","9.702","0.002","17.454","0.003","12.615","0.002","90","","97.751","0.004","90","","2116.7","0.7","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C10 H16 B I5 P2 -","- C10 H16 B I5 P2 -","- C40 H64 B4 I20 P8 -","4","1","","Burt, Jennifer; Emsley, James W.; Levason, William; Reid, Gillian; Tinkler, Iain S.","Systematics of BX3 and BX2(+) Complexes (X = F, Cl, Br, I) with Neutral Diphosphine and Diarsine Ligands.","Inorganic chemistry","2016","55","17","8852","8864","10.1021/acs.inorgchem.6b01375","","","0.71073","MoKα","","0.0403","0.0282","","","0.0597","0.0647","","","","","","1.035","","","","has coordinates","233126","2020-10-21","18:00:00",""
"4348580","14.745","0.004","10.796","0.003","13.068","0.003","90","","90","","90","","2080.3","0.9","100","2","100","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C10 H16 B2 Br6 P2 -","- C10 H16 B2 Br6 P2 -","- C40 H64 B8 Br24 P8 -","4","0.5","","Burt, Jennifer; Emsley, James W.; Levason, William; Reid, Gillian; Tinkler, Iain S.","Systematics of BX3 and BX2(+) Complexes (X = F, Cl, Br, I) with Neutral Diphosphine and Diarsine Ligands.","Inorganic chemistry","2016","55","17","8852","8864","10.1021/acs.inorgchem.6b01375","","","0.71073","MoKα","","0.0449","0.0319","","","0.0702","0.0734","","","","","","0.897","","","","has coordinates","233128","2020-10-21","18:00:00",""
"4348581","11.412","0.007","7.255","0.004","14.002","0.009","90","","112.219","0.007","90","","1073.2","1.1","446","2","446","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C10 H24 B2 Br6 P2 -","- C10 H24 B2 Br6 P2 -","- C20 H48 B4 Br12 P4 -","2","0.5","","Burt, Jennifer; Emsley, James W.; Levason, William; Reid, Gillian; Tinkler, Iain S.","Systematics of BX3 and BX2(+) Complexes (X = F, Cl, Br, I) with Neutral Diphosphine and Diarsine Ligands.","Inorganic chemistry","2016","55","17","8852","8864","10.1021/acs.inorgchem.6b01375","","","0.71073","MoKα","","0.0301","0.0249","","","0.0546","0.0557","","","","","","0.918","","","","has coordinates","233130","2020-10-21","18:00:00",""
"4348582","8.277","0.003","14.406","0.004","16.214","0.005","90","","90","","90","","1933.3","1.1","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C10 H16 As2 B2 Cl6 -","- C10 H16 As2 B2 Cl6 -","- C40 H64 As8 B8 Cl24 -","4","1","","Burt, Jennifer; Emsley, James W.; Levason, William; Reid, Gillian; Tinkler, Iain S.","Systematics of BX3 and BX2(+) Complexes (X = F, Cl, Br, I) with Neutral Diphosphine and Diarsine Ligands.","Inorganic chemistry","2016","55","17","8852","8864","10.1021/acs.inorgchem.6b01375","","","0.71073","MoKα","","0.023","0.0212","","","0.0408","0.041","","","","","","0.863","","","","has coordinates","233132","2020-10-21","18:00:00",""
"4348583","10.944","0.002","11.129","0.002","15.998","0.003","75.57","0.03","82.96","0.03","75.56","0.03","1823.6","0.7","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C32 H35 Eu2 N5 O18 -","- C32 H35 Eu2 N5 O18 -","- C64 H70 Eu4 N10 O36 -","2","1","","Du, Pei-Yao; Gu, Wen; Liu, Xin","Multifunctional Three-Dimensional Europium Metal-Organic Framework for Luminescence Sensing of Benzaldehyde and Cu(2+) and Selective Capture of Dye Molecules.","Inorganic chemistry","2016","55","16","7826","7828","10.1021/acs.inorgchem.6b01385","","","0.71073","MoKα","","0.0766","0.0638","","","0.1941","0.2088","","","","","","1.019","","","","has coordinates","233134","2020-10-21","18:00:00",""
"4348584","6.193","0.002","18.106","0.012","10.332","0.01","90","","102.42","0.05","90","","1131.4","1.4","150","1","150","1","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C8 H14 B8 -","- C8 H14 B8 -","- C32 H56 B32 -","4","1","","Tok, Oleg L.; Bakardjiev, Mario; Štíbr, Bohumil; Hnyk, Drahomír; Holub, Josef; Padělková, Zdenka; Růžička, Aleš","Click Dehydrogenation of Carbon-Substituted nido-5,6-C2B8H12 Carboranes: A General Route to closo-1,2-C2B8H10 Derivatives.","Inorganic chemistry","2016","55","17","8839","8843","10.1021/acs.inorgchem.6b01386","","","0.71073","MoKα","","0.09","0.0582","","","0.1274","0.1484","","","","","","1.109","","","","has coordinates","233136","2020-10-21","18:00:00",""
"4348585","18.6865","0.0006","8.8626","0.0003","16.5367","0.0006","90","","90","","90","","2738.66","0.16","173","2","173","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C30 H34 Cu2 N4 -","- C30 H34 Cu2 N4 -","- C120 H136 Cu8 N16 -","4","0.5","","Back, Oliver; Leppin, Jana; Förster, Christoph; Heinze, Katja","Photochemistry and Redox Chemistry of an Unsymmetrical Bimetallic Copper(I) Complex.","Inorganic chemistry","2016","55","19","9653","9662","10.1021/acs.inorgchem.6b01400","","","0.71073","MoKα","","0.0522","0.0383","","","0.1175","0.1235","","","","","","1.088","","","","has coordinates","233138","2020-10-21","18:00:00",""
"4348586","10.021","0.004","10.316","0.004","13.898","0.005","78.506","0.01","88.588","0.01","73.641","0.01","1350.2","0.9","223","2","223","2","","","","","","","","4","P -1","-P 1","2","","","","- C30 H34 Cu N4 -","- C30 H34 Cu N4 -","- C60 H68 Cu2 N8 -","2","1","","Back, Oliver; Leppin, Jana; Förster, Christoph; Heinze, Katja","Photochemistry and Redox Chemistry of an Unsymmetrical Bimetallic Copper(I) Complex.","Inorganic chemistry","2016","55","19","9653","9662","10.1021/acs.inorgchem.6b01400","","","0.71073","MoKα","","0.0614","0.0395","","","0.0937","0.1002","","","","","","0.946","","","","has coordinates","233140","2020-10-21","18:00:00",""
"4348587","12.7529","0.0015","13.1754","0.0015","22.021","0.003","85.471","0.003","87.242","0.003","61.687","0.003","3247","0.7","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C61 H56 Co2 N7 O23 Tb -","- C61 H56 Co2 N7 O23 Tb -","- C122 H112 Co4 N14 O46 Tb2 -","2","1","","Modak, Ritwik; Sikdar, Yeasin; Thuijs, Annaliese E.; Christou, George; Goswami, Sanchita","Co<sup>II</sup><sub>4</sub>, Co<sup>II</sup><sub>7</sub>, and a Series of Co<sup>II</sup><sub>2</sub>Ln<sup>III</sup> (Ln<sup>III</sup> = Nd<sup>III</sup>, Sm<sup>III</sup>, Gd<sup>III</sup>, Tb<sup>III</sup>, Dy<sup>III</sup>) Coordination Clusters: Search for Single Molecule Magnets.","Inorganic chemistry","2016","55","20","10192","10202","10.1021/acs.inorgchem.6b01402","","","0.71073","MoKα","","0.0774","0.056","","","0.139","0.1472","","","","","","1.496","","","","has coordinates","233142","2020-10-21","18:00:00",""
"4348588","12.74","0.007","13.141","0.007","21.991","0.012","85.586","0.006","87.413","0.006","61.57","0.006","3228","3","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C61 H56 Co2 N7 O23 Sm -","- C61 H56 Co2 N7 O23 Sm -","- C122 H112 Co4 N14 O46 Sm2 -","2","1","","Modak, Ritwik; Sikdar, Yeasin; Thuijs, Annaliese E.; Christou, George; Goswami, Sanchita","Co<sup>II</sup><sub>4</sub>, Co<sup>II</sup><sub>7</sub>, and a Series of Co<sup>II</sup><sub>2</sub>Ln<sup>III</sup> (Ln<sup>III</sup> = Nd<sup>III</sup>, Sm<sup>III</sup>, Gd<sup>III</sup>, Tb<sup>III</sup>, Dy<sup>III</sup>) Coordination Clusters: Search for Single Molecule Magnets.","Inorganic chemistry","2016","55","20","10192","10202","10.1021/acs.inorgchem.6b01402","","","0.71073","MoKα","","0.0872","0.0583","","","0.1707","0.1939","","","","","","0.955","","","","has coordinates","233144","2020-10-21","18:00:00",""
"4348589","24.268","0.003","24.268","0.003","15.248","0.002","90","","90","","90","","8980","2","296","2","296","2","","","","","","","","5","I 41/a :2","-I 4ad","88","","","","- C76 H100 Co4 N4 O24 -","- C76 H100 Co4 N4 O24 -","- C304 H400 Co16 N16 O96 -","4","0.25","","Modak, Ritwik; Sikdar, Yeasin; Thuijs, Annaliese E.; Christou, George; Goswami, Sanchita","Co<sup>II</sup><sub>4</sub>, Co<sup>II</sup><sub>7</sub>, and a Series of Co<sup>II</sup><sub>2</sub>Ln<sup>III</sup> (Ln<sup>III</sup> = Nd<sup>III</sup>, Sm<sup>III</sup>, Gd<sup>III</sup>, Tb<sup>III</sup>, Dy<sup>III</sup>) Coordination Clusters: Search for Single Molecule Magnets.","Inorganic chemistry","2016","55","20","10192","10202","10.1021/acs.inorgchem.6b01402","","","0.71073","MoKα","","0.1195","0.0761","","","0.2482","0.2894","","","","","","1.095","","","","has coordinates","233146","2020-10-21","18:00:00",""
"4348590","12.791","0.006","13.184","0.006","22.098","0.01","85.425","0.007","87.323","0.006","61.607","0.005","3268","3","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C61 H56 Co2 Dy N7 O23 -","- C61 H56 Co2 Dy N7 O23 -","- C122 H112 Co4 Dy2 N14 O46 -","2","1","","Modak, Ritwik; Sikdar, Yeasin; Thuijs, Annaliese E.; Christou, George; Goswami, Sanchita","Co<sup>II</sup><sub>4</sub>, Co<sup>II</sup><sub>7</sub>, and a Series of Co<sup>II</sup><sub>2</sub>Ln<sup>III</sup> (Ln<sup>III</sup> = Nd<sup>III</sup>, Sm<sup>III</sup>, Gd<sup>III</sup>, Tb<sup>III</sup>, Dy<sup>III</sup>) Coordination Clusters: Search for Single Molecule Magnets.","Inorganic chemistry","2016","55","20","10192","10202","10.1021/acs.inorgchem.6b01402","","","0.71073","MoKα","","0.1066","0.0687","","","0.182","0.2066","","","","","","1.156","","","","has coordinates","233148","2020-10-21","18:00:00",""
"4348591","12.8","0.007","13.248","0.007","22.097","0.012","85.623","0.007","87.339","0.009","61.838","0.006","3294","3","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C61 H56 Co2 N7 Nd O23 -","- C61 H56 Co2 N7 Nd O23 -","- C122 H112 Co4 N14 Nd2 O46 -","2","1","","Modak, Ritwik; Sikdar, Yeasin; Thuijs, Annaliese E.; Christou, George; Goswami, Sanchita","Co<sup>II</sup><sub>4</sub>, Co<sup>II</sup><sub>7</sub>, and a Series of Co<sup>II</sup><sub>2</sub>Ln<sup>III</sup> (Ln<sup>III</sup> = Nd<sup>III</sup>, Sm<sup>III</sup>, Gd<sup>III</sup>, Tb<sup>III</sup>, Dy<sup>III</sup>) Coordination Clusters: Search for Single Molecule Magnets.","Inorganic chemistry","2016","55","20","10192","10202","10.1021/acs.inorgchem.6b01402","","","0.71073","MoKα","","0.1103","0.0694","","","0.1942","0.2312","","","","","","0.869","","","","has coordinates","233149","2020-10-21","18:00:00",""
"4348592","12.813","0.005","13.245","0.005","22.177","0.008","85.252","0.004","87.199","0.004","61.691","0.004","3302","2","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C61 H56 Co2 Gd N7 O23 -","- C61 H56 Co2 Gd N7 O23 -","- C122 H112 Co4 Gd2 N14 O46 -","2","1","","Modak, Ritwik; Sikdar, Yeasin; Thuijs, Annaliese E.; Christou, George; Goswami, Sanchita","Co<sup>II</sup><sub>4</sub>, Co<sup>II</sup><sub>7</sub>, and a Series of Co<sup>II</sup><sub>2</sub>Ln<sup>III</sup> (Ln<sup>III</sup> = Nd<sup>III</sup>, Sm<sup>III</sup>, Gd<sup>III</sup>, Tb<sup>III</sup>, Dy<sup>III</sup>) Coordination Clusters: Search for Single Molecule Magnets.","Inorganic chemistry","2016","55","20","10192","10202","10.1021/acs.inorgchem.6b01402","","","0.71073","MoKα","","0.1151","0.0738","","","0.1883","0.2078","","","","","","1.107","","","","has coordinates","233150","2020-10-21","18:00:00",""
"4348593","10.433","0.004","16.281","0.005","26.283","0.009","90","","95.661","0.004","90","","4443","3","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C90 H82 Co7 N8 O26 -","- C90 H82 Co7 N8 O26 -","- C180 H164 Co14 N16 O52 -","2","0.5","","Modak, Ritwik; Sikdar, Yeasin; Thuijs, Annaliese E.; Christou, George; Goswami, Sanchita","Co<sup>II</sup><sub>4</sub>, Co<sup>II</sup><sub>7</sub>, and a Series of Co<sup>II</sup><sub>2</sub>Ln<sup>III</sup> (Ln<sup>III</sup> = Nd<sup>III</sup>, Sm<sup>III</sup>, Gd<sup>III</sup>, Tb<sup>III</sup>, Dy<sup>III</sup>) Coordination Clusters: Search for Single Molecule Magnets.","Inorganic chemistry","2016","55","20","10192","10202","10.1021/acs.inorgchem.6b01402","","","0.71073","MoKα","","0.1092","0.075","","","0.2286","0.259","","","","","","1.095","","","","has coordinates","233152","2020-10-21","18:00:00",""
"4348594","9.1412","0.0011","18.055","0.002","14.566","0.0017","90","","91.265","0.002","90","","2403.5","0.5","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C12 H14 B10 O9 Os3 S -","- C12 H14 B10 O9 Os3 S -","- C48 H56 B40 O36 Os12 S4 -","4","1","","Adams, Richard D.; Kiprotich, Joseph; Peryshkov, Dmitry V.; Wong, Yuen Onn","Opening of Carborane Cages by Metal Cluster Complexes: The Reaction of a Thiolate-Substituted Carborane with Triosmium Carbonyl Cluster Complexes.","Inorganic chemistry","2016","55","16","8207","8213","10.1021/acs.inorgchem.6b01403","","","0.71073","MoKα","","0.035","0.0327","","","0.0812","0.0821","","","","","","1.154","","","","has coordinates","233153","2020-10-21","18:00:00",""
"4348595","17.2821","0.0013","9.6253","0.0007","26.284","0.002","90","","102.942","0.002","90","","4261.2","0.6","294","2","294","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C43 H28 B20 Cl2 O36 Os12 S2 -","- C43 H28 B20 Cl2 O36 Os12 S2 -","- C86 H56 B40 Cl4 O72 Os24 S4 -","2","0.5","","Adams, Richard D.; Kiprotich, Joseph; Peryshkov, Dmitry V.; Wong, Yuen Onn","Opening of Carborane Cages by Metal Cluster Complexes: The Reaction of a Thiolate-Substituted Carborane with Triosmium Carbonyl Cluster Complexes.","Inorganic chemistry","2016","55","16","8207","8213","10.1021/acs.inorgchem.6b01403","","","0.71073","MoKα","","0.0581","0.0473","","","0.1225","0.132","","","","","","1.024","","","","has coordinates","233153","2020-10-21","18:00:00",""
"4348596","9.5168","0.0007","11.8739","0.001","17.8436","0.0014","77.45","0.002","77.567","0.002","87.628","0.002","1922","0.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C21 H12 B10 O18 Os6 S -","- C21 H12 B10 O18 Os6 S -","- C42 H24 B20 O36 Os12 S2 -","2","1","","Adams, Richard D.; Kiprotich, Joseph; Peryshkov, Dmitry V.; Wong, Yuen Onn","Opening of Carborane Cages by Metal Cluster Complexes: The Reaction of a Thiolate-Substituted Carborane with Triosmium Carbonyl Cluster Complexes.","Inorganic chemistry","2016","55","16","8207","8213","10.1021/acs.inorgchem.6b01403","","","0.71073","MoKα","","0.0627","0.0332","","","0.0681","0.0785","","","","","","1.053","","","","has coordinates","233153","2020-10-21","18:00:00",""
"4348597","14.4603","0.0012","15.4906","0.0013","16.006","0.0014","90","","115.583","0.002","90","","3233.8","0.5","294","2","294","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C12 H28 B20 O6 Os3 S2 -","- C12 H28 B20 O6 Os3 S2 -","- C48 H112 B80 O24 Os12 S8 -","4","1","","Adams, Richard D.; Kiprotich, Joseph; Peryshkov, Dmitry V.; Wong, Yuen Onn","Opening of Carborane Cages by Metal Cluster Complexes: The Reaction of a Thiolate-Substituted Carborane with Triosmium Carbonyl Cluster Complexes.","Inorganic chemistry","2016","55","16","8207","8213","10.1021/acs.inorgchem.6b01403","","","0.71073","MoKα","","0.0324","0.0262","","","0.0616","0.0648","","","","","","1.045","","","","has coordinates","233153","2020-10-21","18:00:00",""
"4348598","12.2286","0.0019","12.0151","0.0019","28.33","0.004","90","","97.59","0.003","90","","4126","1.1","294","2","294","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C18 H42 B20 O6 Os3 S2 -","- C18 H42 B20 O6 Os3 S2 -","- C72 H168 B80 O24 Os12 S8 -","4","1","","Adams, Richard D.; Kiprotich, Joseph; Peryshkov, Dmitry V.; Wong, Yuen Onn","Opening of Carborane Cages by Metal Cluster Complexes: The Reaction of a Thiolate-Substituted Carborane with Triosmium Carbonyl Cluster Complexes.","Inorganic chemistry","2016","55","16","8207","8213","10.1021/acs.inorgchem.6b01403","","","0.71073","MoKα","","0.0444","0.0353","","","0.0918","0.0984","","","","","","1.025","","","","has coordinates","233153","2020-10-21","18:00:00",""
"4348599","18.44496","0.0002","18.44496","0.0002","31.7624","0.0003","90","","90","","120","","9358.35","0.17","85","2","85","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C45 H39 Fe4 N3 O18 -","- C45 H39 Fe4 N3 O18 -","- C270 H234 Fe24 N18 O108 -","6","0.333333","","Chow, Chun Y.; Guillot, Régis; Rivière, Eric; Kampf, Jeff W.; Mallah, Talal; Pecoraro, Vincent L.","Synthesis and Magnetic Characterization of Fe(III)-Based 9-Metallacrown-3 Complexes Which Exhibit Magnetorefrigerant Properties.","Inorganic chemistry","2016","55","20","10238","10247","10.1021/acs.inorgchem.6b01404","","","1.54184","CuKα","","0.0452","0.0431","","","0.1243","0.1274","","","","","","1.056","","","","has coordinates","233156","2020-10-21","18:00:00",""
"4348600","10.0578","0.0003","15.0382","0.0005","15.812","0.0005","101.385","0.003","94.968","0.002","109.331","0.003","2182.3","0.13","120","2","120.1","0.14","","","","","","","","5","P -1","-P 1","2","","","","- C46 H41 N10 O12 Zn2 -","- C46 H41 N10 O12 Zn2 -","- C92 H82 N20 O24 Zn4 -","2","1","","Roztocki, Kornel; Jędrzejowski, Damian; Hodorowicz, Maciej; Senkovska, Irena; Kaskel, Stefan; Matoga, Dariusz","Isophthalate-Hydrazone 2D Zinc-Organic Framework: Crystal Structure, Selective Adsorption, and Tuning of Mechanochemical Synthetic Conditions.","Inorganic chemistry","2016","55","19","9663","9670","10.1021/acs.inorgchem.6b01405","","x-ray","0.71073","MoKα","","0.0616","0.044","","","0.1088","0.1211","","","","","","1.057","","","","has coordinates,has disorder","233159","2020-10-21","18:00:00",""
"4348601","22.5687","0.0018","25.648","0.002","21.2994","0.0018","90","","112.113","0.009","90","","11422.1","1.8","130","2","130.15","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C39 H24 Eu N2 O6 -","- C39 H24 Eu N2 O6 -","- C312 H192 Eu8 N16 O48 -","8","1","","Xu, Hang; Zhai, Bin; Cao, Chun-Shuai; Zhao, Bin","A Bifunctional Europium-Organic Framework with Chemical Fixation of CO<sub>2</sub> and Luminescent Detection of Al<sup>3</sup>.","Inorganic chemistry","2016","55","19","9671","9676","10.1021/acs.inorgchem.6b01407","","","0.71073","MoKα","","0.152","0.0845","","","0.1348","0.1529","","","","","","0.925","","","","has coordinates","233161","2020-10-21","18:00:00",""
"4348602","18.9986","0.0018","20.974","0.002","22.6","0.002","65.179","0.005","87.688","0.005","73.197","0.005","7790.6","1.3","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C102 H182 Co2 Gd9 N4 O50 P4 -","- C102 H182 Co2 Gd9 N4 O50 P4 -","- C204 H364 Co4 Gd18 N8 O100 P8 -","2","1","","Sheikh, Javeed Ahmad; Clearfield, Abraham","Heterometallic Co(III)-Gd(III) Clusters as Magnetic Refrigerants.","Inorganic chemistry","2016","55","17","8254","8256","10.1021/acs.inorgchem.6b01414","","","0.71073","MoKα","","0.1046","0.0772","","","0.187","0.2017","","","","","","1.149","","","","has coordinates","233164","2020-10-21","18:00:00",""
"4348603","43.989","0.007","12.6726","0.0018","32.259","0.005","90","","132.478","0.004","90","","13263","4","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C78 H182 Co2 Gd6 N6 O55 P6 -","- C78 H182 Co2 Gd6 N6 O55 P6 -","- C312 H728 Co8 Gd24 N24 O220 P24 -","4","0.5","","Sheikh, Javeed Ahmad; Clearfield, Abraham","Heterometallic Co(III)-Gd(III) Clusters as Magnetic Refrigerants.","Inorganic chemistry","2016","55","17","8254","8256","10.1021/acs.inorgchem.6b01414","","","0.71073","MoKα","","0.0765","0.0471","","","0.1087","0.1281","","","","","","1.006","","","","has coordinates","233166","2020-10-21","18:00:00",""
"4348604","18.6345","0.0019","18.6345","0.0019","21.563","0.004","90","","90","","120","","6484.5","1.5","296","2","296","2","","","","","","","","5","P 61 2 2","P 61 2 (0 0 5)","178","","","","- C15 H15 Cd0.5 N2 O4 -","- C15 H15 Cd0.5 N2 O4 -","- C180 H180 Cd6 N24 O48 -","12","1","","Liu, Bo; Zhou, Hui-Fang; Hou, Lei; Wang, Jian-Ping; Wang, Yao-Yu; Zhu, Zhonghua","Structural Diversity of Cadmium(II) Coordination Polymers Induced by Tuning the Coordination Sites of Isomeric Ligands.","Inorganic chemistry","2016","55","17","8871","8880","10.1021/acs.inorgchem.6b01416","","","0.71073","MoKα","","0.0979","0.0725","","","0.1957","0.2117","","","","","","0.987","","","","has coordinates","233169","2020-10-21","18:00:00",""
"4348605","13.678","0.002","12.028","0.002","7.95","0.001","90","","98.861","0.002","90","","1292.3","0.3","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C13 H11 Cd N O6 -","- C13 H11 Cd N O6 -","- C52 H44 Cd4 N4 O24 -","4","1","","Liu, Bo; Zhou, Hui-Fang; Hou, Lei; Wang, Jian-Ping; Wang, Yao-Yu; Zhu, Zhonghua","Structural Diversity of Cadmium(II) Coordination Polymers Induced by Tuning the Coordination Sites of Isomeric Ligands.","Inorganic chemistry","2016","55","17","8871","8880","10.1021/acs.inorgchem.6b01416","","","0.71073","MoKα","","0.0337","0.026","","","0.0914","0.1173","","","","","","1.161","","","","has coordinates","233171","2020-10-21","18:00:00",""
"4348606","9.405","0.001","20.389","0.003","31.799","0.004","90","","90","","90","","6097.7","1.3","296","2","296","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C25 H37 Cd N5 O9 -","- C25 H37 Cd N5 O9 -","- C200 H296 Cd8 N40 O72 -","8","1","","Liu, Bo; Zhou, Hui-Fang; Hou, Lei; Wang, Jian-Ping; Wang, Yao-Yu; Zhu, Zhonghua","Structural Diversity of Cadmium(II) Coordination Polymers Induced by Tuning the Coordination Sites of Isomeric Ligands.","Inorganic chemistry","2016","55","17","8871","8880","10.1021/acs.inorgchem.6b01416","","","0.71073","MoKα","","0.0865","0.0598","","","0.1606","0.1769","","","","","","1.072","","","","has coordinates","233173","2020-10-21","18:00:00",""
"4348607","15.775","0.006","16.035","0.006","33.845","0.014","90","","90","","90","","8561","6","296","2","296","2","","","","","","","","5","F d d 2","F 2 -2d","43","","","","- C26 H14 Cd2 N2 O8 -","- C26 H14 Cd2 N2 O8 -","- C208 H112 Cd16 N16 O64 -","8","0.5","","Liu, Bo; Zhou, Hui-Fang; Hou, Lei; Wang, Jian-Ping; Wang, Yao-Yu; Zhu, Zhonghua","Structural Diversity of Cadmium(II) Coordination Polymers Induced by Tuning the Coordination Sites of Isomeric Ligands.","Inorganic chemistry","2016","55","17","8871","8880","10.1021/acs.inorgchem.6b01416","","","0.71073","MoKα","","0.0926","0.0786","","","0.2012","0.2129","","","","","","1.047","","","","has coordinates","233175","2020-10-21","18:00:00",""
"4348608","21.027","0.002","21.027","0.002","20.5274","0.001","90","","90","","120","","7859.9","1.1","293","2","293","2","","","","","","","","5","P 31 2 1","P 31 2""","152","","","","- C52 H34 N12 O8 Zn3 -","- C52 H34 N12 O8 Zn3 -","- C156 H102 N36 O24 Zn9 -","3","0.5","","Chen, Di-Ming; Tian, Jia-Yue; Liu, Chun-Sen","Ligand Symmetry Modulation for Designing Mixed-Ligand Metal-Organic Frameworks: Gas Sorption and Luminescence Sensing Properties.","Inorganic chemistry","2016","55","17","8892","8897","10.1021/acs.inorgchem.6b01419","","","0.71073","MoKα","","0.1276","0.0834","","","0.1981","0.233","","","","","","0.991","","","","has coordinates","233176","2020-10-21","18:00:00",""
"4348609","18.399","0.004","18.622","0.004","22.385","0.005","90","","108.83","0.03","90","","7259","3","123","2","123","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C156 H106 F6 N12 O16 Tb4 -","- C156 H106 F6 N12 O16 Tb4 -","- C312 H212 F12 N24 O32 Tb8 -","2","0.5","","Gao, Hong-Ling; Jiang, Li; Wang, Wen-Min; Wang, Shi-Yu; Zhang, Hong-Xia; Cui, Jian-Zhong","Single-Molecule-Magnet Behavior and Fluorescence Properties of 8-Hydroxyquinolinate Derivative-Based Rare-Earth Complexes.","Inorganic chemistry","2016","55","17","8898","8904","10.1021/acs.inorgchem.6b01420","","","0.71073","MoKα","","0.0623","0.0478","","","0.1043","0.1118","","","","","","1.083","","","","has coordinates","233178","2020-10-21","18:00:00",""
"4348610","21.351","0.002","31.898","0.003","41.764","0.005","90","","95.135","0.004","90","","28329","5","93","2","93","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C149.5 H88 Ag4 F40 N16 O2 -","- C149.5 H88 Ag4 F40 N16 O2 -","- C1196 H704 Ag32 F320 N128 O16 -","8","1","","Ooi, Shota; Tanaka, Takayuki; Osuka, Atsuhiro","Metal Complexes of meso-meso Linked Corrole Dimers.","Inorganic chemistry","2016","55","17","8920","8927","10.1021/acs.inorgchem.6b01422","","","1.54187","CuKα","","0.1256","0.0774","","","0.2024","0.2431","","","","","","1.078","","","","has coordinates,has disorder","233179","2020-10-21","18:00:00",""
"4348611","24.891","0.004","56.715","0.018","28.901","0.007","90","","97.83","0.03","90","","40419","18","93","2","93","2","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C225.5 H127 Cl Co5 F50 N30 -","- C225.5 H127 Cl Co5 F50 N30 -","- C1804 H1016 Cl8 Co40 F400 N240 -","8","1","","Ooi, Shota; Tanaka, Takayuki; Osuka, Atsuhiro","Metal Complexes of meso-meso Linked Corrole Dimers.","Inorganic chemistry","2016","55","17","8920","8927","10.1021/acs.inorgchem.6b01422","","","1.54187","CuKα","","0.1945","0.0851","","","0.1971","0.2988","","","","","","1.139","","","","has coordinates,has disorder","233181","2020-10-21","18:00:00",""
"4348612","19.465","0.002","31.878","0.004","25.622","0.003","90","","93.941","0.003","90","","15861","3","93","2","93","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C177 H57 F40 Ga4 N21 O7 -","- C177 H57 F40 Ga4 N21 O7 -","- C708 H228 F160 Ga16 N84 O28 -","4","1","","Ooi, Shota; Tanaka, Takayuki; Osuka, Atsuhiro","Metal Complexes of meso-meso Linked Corrole Dimers.","Inorganic chemistry","2016","55","17","8920","8927","10.1021/acs.inorgchem.6b01422","","","1.54187","CuKα","","0.1143","0.0858","","","0.2414","0.2741","","","","","","1.072","","","","has coordinates,has disorder","233183","2020-10-21","18:00:00",""
"4348613","18.057","0.004","18.057","0.004","22.425","0.006","90","","90","","90","","7312","3","93","2","93","2","","","","","","","","5","I 41","I 4bw","80","","","","- C39.5 H21 F10 Ga N5 -","- C39.5 H21 F10 Ga N5 -","- C316 H168 F80 Ga8 N40 -","8","1","","Ooi, Shota; Tanaka, Takayuki; Osuka, Atsuhiro","Metal Complexes of meso-meso Linked Corrole Dimers.","Inorganic chemistry","2016","55","17","8920","8927","10.1021/acs.inorgchem.6b01422","","","1.54187","CuKα","","0.0619","0.048","","","0.1212","0.1289","","","","","","1.025","","","","has coordinates,has disorder","233185","2020-10-21","18:00:00",""
"4348614","16.9309","0.0014","31.154","0.004","27.599","0.002","90","","106.111","0.0019","90","","13986","2","93","2","93","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C154.5 H96 Ag4 F40 N16 O10 -","- C154.5 H96 Ag4 F40 N16 O10 -","- C618 H384 Ag16 F160 N64 O40 -","4","1","","Ooi, Shota; Tanaka, Takayuki; Osuka, Atsuhiro","Metal Complexes of meso-meso Linked Corrole Dimers.","Inorganic chemistry","2016","55","17","8920","8927","10.1021/acs.inorgchem.6b01422","","","1.54187","CuKα","","0.0759","0.0659","","","0.175","0.1857","","","","","","1.13","","","","has coordinates,has disorder","233187","2020-10-21","18:00:00",""
"4348615","8.9811","0.0004","15.4169","0.0008","20.7934","0.0011","99.006","0.004","95.653","0.003","98.947","0.003","2786.6","0.2","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C62 H51 Br4 N5 Pt2 -","- C62 H51 Br4 N5 Pt2 -","- C124 H102 Br8 N10 Pt4 -","2","1","","Kang, Jiajia; Zhang, Xiaoxin; Zhou, Huajun; Gai, Xuqiao; Jia, Ting; Xu, Liang; Zhang, Jianjun; Li, Yanqin; Ni, Jun","1-D ""Platinum Wire"" Stacking Structure Built of Platinum(II) Diimine Bis(σ-acetylide) Units with Luminescence in the NIR Region.","Inorganic chemistry","2016","55","20","10208","10217","10.1021/acs.inorgchem.6b01426","","","0.71073","MoKα","","0.0784","0.054","","","0.1387","0.1547","","","","","","1.029","","","","has coordinates,has disorder","233190","2020-10-21","18:00:00",""
"4348616","22.2","0.012","21.156","0.012","13.262","0.007","90","","96.533","0.006","90","","6188","6","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C241 H194 Br16 Cl2 N16 Pt8 -","- C241 H194.08 Br16 Cl2 N16 Pt8 -","- C241 H194.08 Br16 Cl2 N16 Pt8 -","1","0.125","","Kang, Jiajia; Zhang, Xiaoxin; Zhou, Huajun; Gai, Xuqiao; Jia, Ting; Xu, Liang; Zhang, Jianjun; Li, Yanqin; Ni, Jun","1-D ""Platinum Wire"" Stacking Structure Built of Platinum(II) Diimine Bis(σ-acetylide) Units with Luminescence in the NIR Region.","Inorganic chemistry","2016","55","20","10208","10217","10.1021/acs.inorgchem.6b01426","","","0.71073","MoKα","","0.0906","0.0425","","","0.1093","0.1319","","","","","","1.067","","","","has coordinates","233192","2020-10-21","18:00:00",""
"4348617","10.6084","0.0007","12.866","0.0008","13.3514","0.0009","61.36","0.004","76.813","0.005","83.798","0.005","1557.17","0.19","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C32 H30 Br2 N2 O Pt S -","- C32 H30 Br2 N2 O Pt S -","- C64 H60 Br4 N4 O2 Pt2 S2 -","2","1","","Kang, Jiajia; Zhang, Xiaoxin; Zhou, Huajun; Gai, Xuqiao; Jia, Ting; Xu, Liang; Zhang, Jianjun; Li, Yanqin; Ni, Jun","1-D ""Platinum Wire"" Stacking Structure Built of Platinum(II) Diimine Bis(σ-acetylide) Units with Luminescence in the NIR Region.","Inorganic chemistry","2016","55","20","10208","10217","10.1021/acs.inorgchem.6b01426","","","0.71073","MoKα","","0.0423","0.0325","","","0.073","0.0775","","","","","","1.017","","","","has coordinates,has disorder","233194","2020-10-21","18:00:00",""
"4348618","12.0519","0.001","7.3434","0.0002","21.4669","0.0017","90","","135.213","0.015","90","","1338.4","0.4","156","2","156","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H22 B N2 Rh -","- C14 H22 B N2 Rh -","- C56 H88 B4 N8 Rh4 -","4","1","","Brugos, Javier; Cabeza, Javier A.; García-Álvarez, Pablo; Kennedy, Alan R.; Pérez-Carreño, Enrique; Van der Maelen, Juan F.","2-(Methylamido)pyridine-Borane: A Tripod κ(3)-N,H,H Ligand in Trigonal Bipyramidal Rhodium(I) and Iridium(I) Complexes with an Asymmetric Coordination of Its BH3 Group.","Inorganic chemistry","2016","55","17","8905","8912","10.1021/acs.inorgchem.6b01427","","","1.5418","CuKα","","0.0316","0.0303","","","0.0815","0.0901","","","","","","1.132","","","","has coordinates","233196","2020-10-21","18:00:00",""
"4348619","12.0435","0.0003","7.333","0.0001","17.5013","0.0005","90","","120.175","0.004","90","","1336.19","0.08","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H22 B Ir N2 -","- C14 H22 B Ir N2 -","- C56 H88 B4 Ir4 N8 -","4","1","","Brugos, Javier; Cabeza, Javier A.; García-Álvarez, Pablo; Kennedy, Alan R.; Pérez-Carreño, Enrique; Van der Maelen, Juan F.","2-(Methylamido)pyridine-Borane: A Tripod κ(3)-N,H,H Ligand in Trigonal Bipyramidal Rhodium(I) and Iridium(I) Complexes with an Asymmetric Coordination of Its BH3 Group.","Inorganic chemistry","2016","55","17","8905","8912","10.1021/acs.inorgchem.6b01427","","","1.5418","CuKα","","0.0253","0.0217","","","0.0516","0.054","","","","","","1.014","","","","has coordinates","233196","2020-10-21","18:00:00",""
"4348620","28.6281","0.001","4.218","0.0001","24.0685","0.001","90","","108.352","0.004","90","","2758.53","0.18","100.01","0.1","100.01","0.1","","","","","","","","3","I 1 2/a 1","-I 2ya","15","","","","- C15 H12 N8 -","- C15 H12 N8 -","- C120 H96 N64 -","8","1","","Preston, Dan; Tucker, Robert A. J.; Garden, Anna L.; Crowley, James D.","Heterometallic [MnPtn(L)2n](x+) Macrocycles from Dichloromethane-Derived Bis-2-pyridyl-1,2,3-triazole Ligands.","Inorganic chemistry","2016","55","17","8928","8934","10.1021/acs.inorgchem.6b01435","","","1.54184","CuKα","","0.0545","0.0505","","","0.1546","0.1637","","","","","","1.361","","","","has coordinates","233199","2020-10-21","18:00:00",""
"4348621","9.4761","0.0006","13.2907","0.0005","19.9576","0.0007","71.011","0.003","86.559","0.004","83.594","0.004","2361.2","0.2","100.02","0.1","100.02","0.1","","","","","","","","7","P -1","-P 1","2","","","","- C36 H38 Ag2 F12 N18 O2 Sb2 -","- C36 H38 Ag2 F12 N18 O2 Sb2 -","- C72 H76 Ag4 F24 N36 O4 Sb4 -","2","1","","Preston, Dan; Tucker, Robert A. J.; Garden, Anna L.; Crowley, James D.","Heterometallic [MnPtn(L)2n](x+) Macrocycles from Dichloromethane-Derived Bis-2-pyridyl-1,2,3-triazole Ligands.","Inorganic chemistry","2016","55","17","8928","8934","10.1021/acs.inorgchem.6b01435","","","1.54184","CuKα","","0.1294","0.1085","","","0.2656","0.2865","","","","","","1.526","","","","has coordinates","233199","2020-10-21","18:00:00",""
"4348622","17.4093","0.0016","5.0929","0.0003","20.4991","0.0013","90","","90","","90","","1817.5","0.2","100.01","0.1","100.01","0.1","","","","","","","","6","P m c 21","P 2c -2","26","","","","- C15 H12 Ag F0 N8 Sb0 -","- C15 H12 Ag N8 -","- C60 H48 Ag4 N32 -","4","1","","Preston, Dan; Tucker, Robert A. J.; Garden, Anna L.; Crowley, James D.","Heterometallic [MnPtn(L)2n](x+) Macrocycles from Dichloromethane-Derived Bis-2-pyridyl-1,2,3-triazole Ligands.","Inorganic chemistry","2016","55","17","8928","8934","10.1021/acs.inorgchem.6b01435","","","1.54184","CuKα","","0.0652","0.0607","","","0.1798","0.1854","","","","","","1.042","","","","has coordinates","233199","2020-10-21","18:00:00",""
"4348623","14.6109","0.001","17.0217","0.001","19.1823","0.0011","101.962","0.005","102.681","0.006","94.602","0.005","4513.6","0.5","100.01","0.1","100.01","0.1","","","","","","","","7","P -1","-P 1","2","","","","- C54 H67.33 B1.73 F6.93 N16 O5.33 Pt -","- C54 H67.3333 B1.73333 F6.93333 N16 O5.33333 Pt -","- C162 H202 B5.2 F20.8 N48 O16 Pt3 -","3","1.5","","Preston, Dan; Tucker, Robert A. J.; Garden, Anna L.; Crowley, James D.","Heterometallic [MnPtn(L)2n](x+) Macrocycles from Dichloromethane-Derived Bis-2-pyridyl-1,2,3-triazole Ligands.","Inorganic chemistry","2016","55","17","8928","8934","10.1021/acs.inorgchem.6b01435","","","1.54184","CuKα","","0.24","0.0903","","","0.1892","0.2537","","","","","","0.822","","","","has coordinates,has disorder","233199","2020-10-21","18:00:00",""
"4348624","6.2646","0.0002","14.6852","0.0003","17.0756","0.0004","90","","95.581","0.002","90","","1563.46","0.07","100.01","0.1","100.01","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C28 H24 F12 N8 P2 Pt -","- C28 H24 F12 N8 P2 Pt -","- C56 H48 F24 N16 P4 Pt2 -","2","0.5","","Preston, Dan; Tucker, Robert A. J.; Garden, Anna L.; Crowley, James D.","Heterometallic [MnPtn(L)2n](x+) Macrocycles from Dichloromethane-Derived Bis-2-pyridyl-1,2,3-triazole Ligands.","Inorganic chemistry","2016","55","17","8928","8934","10.1021/acs.inorgchem.6b01435","","","1.54184","CuKα","","0.0789","0.071","","","0.1791","0.1895","","","","","","1.348","","","","has coordinates","233199","2020-10-21","18:00:00",""
"4348625","16.052","0.003","17.128","0.003","30.019","0.006","90","","91.77","0.03","90","","8249","3","193","2","193","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C92 H61 Cl12 N8 Tb -","- C92 H61 Cl12 N8 Tb -","- C368 H244 Cl48 N32 Tb4 -","4","1","","Yamashita, Ken-Ichi; Sakata, Naoya; Ogawa, Takuji","Systematic Structural Elucidation for the Protonated Form of Rare Earth Bis(porphyrinato) Double-Decker Complexes: Direct Structural Evidence of the Location of the Attached Proton.","Inorganic chemistry","2016","55","17","8935","8942","10.1021/acs.inorgchem.6b01442","","","0.71073","MoKα","","0.0873","0.042","","","0.0903","0.1016","","","","","","0.966","","","","has coordinates,has disorder","233203","2020-10-21","18:00:00",""
"4348626","16.187","0.003","17.231","0.003","30.23","0.006","90","","91.86","0.03","90","","8427","3","253","2","253","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C92 H61 Cl12 N8 Tb -","- C92 H61 Cl12 N8 Tb -","- C368 H244 Cl48 N32 Tb4 -","4","1","","Yamashita, Ken-Ichi; Sakata, Naoya; Ogawa, Takuji","Systematic Structural Elucidation for the Protonated Form of Rare Earth Bis(porphyrinato) Double-Decker Complexes: Direct Structural Evidence of the Location of the Attached Proton.","Inorganic chemistry","2016","55","17","8935","8942","10.1021/acs.inorgchem.6b01442","","","0.71073","MoKα","","0.086","0.0485","","","0.1065","0.1186","","","","","","1.036","","","","has coordinates,has disorder","233203","2020-10-21","18:00:00",""
"4348627","16.005","0.003","16.98","0.003","29.881","0.006","90","","91.48","0.03","90","","8118","3","123","2","123","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C92 H61 Cl12 N8 Y -","- C92 H61 Cl12 N8 Y -","- C368 H244 Cl48 N32 Y4 -","4","1","","Yamashita, Ken-Ichi; Sakata, Naoya; Ogawa, Takuji","Systematic Structural Elucidation for the Protonated Form of Rare Earth Bis(porphyrinato) Double-Decker Complexes: Direct Structural Evidence of the Location of the Attached Proton.","Inorganic chemistry","2016","55","17","8935","8942","10.1021/acs.inorgchem.6b01442","","","0.71073","MoKα","","0.081","0.0544","","","0.1222","0.1337","","","","","","1.025","","","","has coordinates,has disorder","233203","2020-10-21","18:00:00",""
"4348628","16.064","0.003","17.162","0.003","30.087","0.006","90","","91.74","0.03","90","","8291","3","193","2","193","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C92 H61 Cl12 N8 Sm -","- C92 H61 Cl12 N8 Sm -","- C368 H244 Cl48 N32 Sm4 -","4","1","","Yamashita, Ken-Ichi; Sakata, Naoya; Ogawa, Takuji","Systematic Structural Elucidation for the Protonated Form of Rare Earth Bis(porphyrinato) Double-Decker Complexes: Direct Structural Evidence of the Location of the Attached Proton.","Inorganic chemistry","2016","55","17","8935","8942","10.1021/acs.inorgchem.6b01442","","","0.71073","MoKα","","0.0931","0.0485","","","0.1017","0.1167","","","","","","1.011","","","","has coordinates,has disorder","233203","2020-10-21","18:00:00",""
"4348629","16.035","0.003","17.217","0.003","30.201","0.006","90","","91.44","0.03","90","","8335","3","233","2","233","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C92 H61 Cl12 N8 Nd -","- C92 H61 Cl12 N8 Nd -","- C368 H244 Cl48 N32 Nd4 -","4","1","","Yamashita, Ken-Ichi; Sakata, Naoya; Ogawa, Takuji","Systematic Structural Elucidation for the Protonated Form of Rare Earth Bis(porphyrinato) Double-Decker Complexes: Direct Structural Evidence of the Location of the Attached Proton.","Inorganic chemistry","2016","55","17","8935","8942","10.1021/acs.inorgchem.6b01442","","","0.71073","MoKα","","0.1144","0.0619","","","0.1302","0.1493","","","","","","1.022","","","","has coordinates,has disorder","233203","2020-10-21","18:00:00",""
"4348630","21.844","0.004","22.269","0.005","30.321","0.006","90","","90","","90","","14749","5","123","2","123","2","","","","","","","","5","F d d d :2","-F 2uv 2vw","70","","","","- C90 H59 Cl6 La N8 -","- C90 H56 Cl6 La N8 -","- C720 H448 Cl48 La8 N64 -","8","0.25","","Yamashita, Ken-Ichi; Sakata, Naoya; Ogawa, Takuji","Systematic Structural Elucidation for the Protonated Form of Rare Earth Bis(porphyrinato) Double-Decker Complexes: Direct Structural Evidence of the Location of the Attached Proton.","Inorganic chemistry","2016","55","17","8935","8942","10.1021/acs.inorgchem.6b01442","","","0.71073","MoKα","","0.0663","0.0613","","","0.1693","0.173","","","","","","1.153","","","","has coordinates,has disorder","233203","2020-10-21","18:00:00",""
"4348631","21.031","0.004","21.522","0.004","31.236","0.006","90","","90","","90","","14138","5","193","2","193","2","","","","","","","","5","F d d d :2","-F 2uv 2vw","70","","","","- C90 H61 Cl4 N8 Tb -","- C90 H60 Cl4 N8 Tb -","- C720 H480 Cl32 N64 Tb8 -","8","0.25","","Yamashita, Ken-Ichi; Sakata, Naoya; Ogawa, Takuji","Systematic Structural Elucidation for the Protonated Form of Rare Earth Bis(porphyrinato) Double-Decker Complexes: Direct Structural Evidence of the Location of the Attached Proton.","Inorganic chemistry","2016","55","17","8935","8942","10.1021/acs.inorgchem.6b01442","","","0.71073","MoKα","","0.0898","0.0887","","","0.2183","0.2188","","","","","","1.365","","","","has coordinates","233203","2020-10-21","18:00:00",""
"4348632","21.762","0.004","22.083","0.004","30.28","0.006","90","","90","","90","","14552","5","123","2","123","2","","","","","","","","5","F d d d :2","-F 2uv 2vw","70","","","","- C95 H73 N8 O2 Tb -","- C88 H56 N8 Tb -","- C704 H448 N64 Tb8 -","8","0.25","","Yamashita, Ken-Ichi; Sakata, Naoya; Ogawa, Takuji","Systematic Structural Elucidation for the Protonated Form of Rare Earth Bis(porphyrinato) Double-Decker Complexes: Direct Structural Evidence of the Location of the Attached Proton.","Inorganic chemistry","2016","55","17","8935","8942","10.1021/acs.inorgchem.6b01442","","","0.71073","MoKα","","0.07","0.0456","","","0.0936","0.1014","","","","","","0.985","","","","has coordinates","233203","2020-10-21","18:00:00",""
"4348633","21.889","0.004","21.89","0.004","30.55","0.006","90","","90","","90","","14638","5","123","2","123","2","","","","","","","","4","F d d d :2","-F 2uv 2vw","70","","","","- C100 H68 N8 Tb -","- C100 H68 N8 Tb -","- C800 H544 N64 Tb8 -","8","0.25","","Yamashita, Ken-Ichi; Sakata, Naoya; Ogawa, Takuji","Systematic Structural Elucidation for the Protonated Form of Rare Earth Bis(porphyrinato) Double-Decker Complexes: Direct Structural Evidence of the Location of the Attached Proton.","Inorganic chemistry","2016","55","17","8935","8942","10.1021/acs.inorgchem.6b01442","","","0.71073","MoKα","","0.083","0.0617","","","0.1134","0.1206","","","","","","1.184","","","","has coordinates,has disorder","233203","2020-10-21","18:00:00",""
"4348634","21.495","0.004","21.68","0.004","31.325","0.006","90","","90","","90","","14598","5","123","2","293","2","","","","","","","","5","F d d d :2","-F 2uv 2vw","70","","","","- C90 H61 Cl2 N8 Tb -","- C90 H60 Cl2 N8 Tb -","- C720 H480 Cl16 N64 Tb8 -","8","0.25","","Yamashita, Ken-Ichi; Sakata, Naoya; Ogawa, Takuji","Systematic Structural Elucidation for the Protonated Form of Rare Earth Bis(porphyrinato) Double-Decker Complexes: Direct Structural Evidence of the Location of the Attached Proton.","Inorganic chemistry","2016","55","17","8935","8942","10.1021/acs.inorgchem.6b01442","","","0.71073","MoKα","","0.0819","0.0709","","","0.1694","0.1758","","","","","","1.205","","","","has coordinates","233203","2020-10-21","18:00:00",""
"4348635","16.2547","0.0015","26.168","0.002","22.5135","0.0019","90","","93.339","0.001","90","","9559.9","1.4","296","2","296","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C73 H159 Br Cr Mo6 N5 O25 -","- C73 H159 Br Cr Mo6 N5 O25 -","- C292 H636 Br4 Cr4 Mo24 N20 O100 -","4","1","","Li, Xin-Xiong; Ma, Xiang; Zheng, Wen-Xu; Qi, Yan-Jie; Zheng, Shou-Tian; Yang, Guo-Yu","Composite Hybrid Cluster Built from the Integration of Polyoxometalate and a Metal Halide Cluster: Synthetic Strategy, Structure, and Properties.","Inorganic chemistry","2016","55","17","8257","8259","10.1021/acs.inorgchem.6b01453","","","0.71073","MoKα","","0.0498","0.0365","","","0.1133","0.1524","","","","","","1.104","","","","has coordinates","233207","2020-10-21","18:00:00",""
"4348636","30.941","0.004","30.941","0.004","33.459","0.004","90","","90","","90","","32032","7","296","2","296","2","","","","","","","","8","I 4/m","-I 4","87","","","","- C200 H392 Cr8 Cu8 I6 Mo48 N16 O192 -","- C200 H392 Cr8 Cu8 I6 Mo48 N16 O192 -","- C400 H784 Cr16 Cu16 I12 Mo96 N32 O384 -","2","0.125","","Li, Xin-Xiong; Ma, Xiang; Zheng, Wen-Xu; Qi, Yan-Jie; Zheng, Shou-Tian; Yang, Guo-Yu","Composite Hybrid Cluster Built from the Integration of Polyoxometalate and a Metal Halide Cluster: Synthetic Strategy, Structure, and Properties.","Inorganic chemistry","2016","55","17","8257","8259","10.1021/acs.inorgchem.6b01453","","","0.71073","MoKα","","0.0941","0.0739","","","0.2109","0.2287","","","","","","1.19","","","","has coordinates","233209","2020-10-21","18:00:00",""
"4348637","13.1566","0.0005","15.5873","0.0006","17.2414","0.0008","85.964","0.002","77.737","0.002","83.246","0.002","3427.4","0.2","100","2","100","2","","","","","","","","6","P -1","-P 1","2","(PPN)2Si(NO3)6","","","- C72 H60 N8 O18 P4 Si -","- C72 H60 N8 O18 P4 Si -","- C144 H120 N16 O36 P8 Si2 -","2","1","","Portius, Peter; Peerless, Benjamin; Davis, Martin; Campbell, Rory","Homoleptic Poly(nitrato) Complexes of Group 14 Stable at Ambient Conditions.","Inorganic chemistry","2016","55","17","8976","8984","10.1021/acs.inorgchem.6b01455","","","0.71073","MoKα","","0.1004","0.0512","","","0.0909","0.108","","","","","","0.957","","","","has coordinates,has disorder","233211","2020-10-21","18:00:00",""
"4348638","13.1415","0.0003","15.6102","0.0004","17.3162","0.0004","86.025","0.001","77.541","0.001","83.346","0.001","3441.65","0.14","100","2","100","2","","","","","","","","6","P -1","-P 1","2","(PPN)2Ge(NO3)6","","","- C72 H60 Ge N8 O18 P4 -","- C72 H60 Ge N8 O18 P4 -","- C144 H120 Ge2 N16 O36 P8 -","2","1","","Portius, Peter; Peerless, Benjamin; Davis, Martin; Campbell, Rory","Homoleptic Poly(nitrato) Complexes of Group 14 Stable at Ambient Conditions.","Inorganic chemistry","2016","55","17","8976","8984","10.1021/acs.inorgchem.6b01455","","","0.71073","MoKα","","0.0374","0.03","","","0.0763","0.0814","","","","","","1.023","","","","has coordinates","233211","2020-10-21","18:00:00",""
"4348639","12.385","0.005","12.436","0.005","16.224","0.005","108.124","0.005","109.863","0.005","111.947","0.005","1885.1","1.2","100","2","100","2","","","","","","","","6","P -1","-P 1","2","(PPN)2Sn(NO3)6.2MeCN","","","- C76 H66 N10 O18 P4 Sn -","- C76 H66 N10 O18 P4 Sn -","- C76 H66 N10 O18 P4 Sn -","1","0.5","","Portius, Peter; Peerless, Benjamin; Davis, Martin; Campbell, Rory","Homoleptic Poly(nitrato) Complexes of Group 14 Stable at Ambient Conditions.","Inorganic chemistry","2016","55","17","8976","8984","10.1021/acs.inorgchem.6b01455","","","0.71073","MoKα","","0.038","0.0318","","","0.0761","0.08","","","","","","1.044","","","","has coordinates","233211","2020-10-21","18:00:00",""
"4348640","16.7442","0.0011","19.613","0.0014","19.9989","0.0013","90","","90","","90","","6567.7","0.8","100","2","100","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","(PPN)2SnCl(NO3)5","","","- C72 H60 Cl5 N3 O3 P4 Sn -","- C72 H60 Cl5 N3 O3 P4 Sn -","- C288 H240 Cl20 N12 O12 P16 Sn4 -","4","0.5","","Portius, Peter; Peerless, Benjamin; Davis, Martin; Campbell, Rory","Homoleptic Poly(nitrato) Complexes of Group 14 Stable at Ambient Conditions.","Inorganic chemistry","2016","55","17","8976","8984","10.1021/acs.inorgchem.6b01455","","","0.71073","MoKα","","0.0361","0.0296","","","0.0725","0.0764","","","","","","1.022","","","","has coordinates,has disorder","233211","2020-10-21","18:00:00",""
"4348641","10.8535","0.0008","12.4798","0.0011","24.526","0.002","90","","101.867","0.005","90","","3251","0.5","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","(PPN)NO3.MeCN","","","- C38 H33 N3 O3 P2 -","- C38 H33 N3 O3 P2 -","- C152 H132 N12 O12 P8 -","4","1","","Portius, Peter; Peerless, Benjamin; Davis, Martin; Campbell, Rory","Homoleptic Poly(nitrato) Complexes of Group 14 Stable at Ambient Conditions.","Inorganic chemistry","2016","55","17","8976","8984","10.1021/acs.inorgchem.6b01455","","","0.71073","MoKα","","0.0804","0.0489","","","0.1101","0.1241","","","","","","1.046","","","","has coordinates","233211","2020-10-21","18:00:00",""
"4348642","24.723","0.002","11.8714","0.0011","27.514","0.003","90","","116.312","0.002","90","","7238.6","1.2","90","2","90","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C43 H32 P2 Pt S3 -","- C43 H32 P2 Pt S3 -","- C344 H256 P16 Pt8 S24 -","8","2","","Cao, Yang; Wolf, Michael O.; Patrick, Brian O.","Dual-Emissive Platinum(II) Metallacycles with Thiophene-Containing Bisacetylide Ligands.","Inorganic chemistry","2016","55","17","8985","8993","10.1021/acs.inorgchem.6b01464","","x-ray","0.71073","MoKα","","0.0469","0.0318","","","0.0581","0.0621","","","","","","1.019","","","","has coordinates","233213","2020-10-21","18:00:00",""
"4348643","16.208","0.002","12.2948","0.0015","19.388","0.002","90","","104.221","0.002","90","","3745.1","0.8","90","2","90","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C42 H32 Cl2 P2 Pt S2 -","- C42 H32 Cl2 P2 Pt S2 -","- C168 H128 Cl8 P8 Pt4 S8 -","4","1","","Cao, Yang; Wolf, Michael O.; Patrick, Brian O.","Dual-Emissive Platinum(II) Metallacycles with Thiophene-Containing Bisacetylide Ligands.","Inorganic chemistry","2016","55","17","8985","8993","10.1021/acs.inorgchem.6b01464","","x-ray","0.71073","MoKα","","0.0197","0.0169","","","0.0383","0.0393","","","","","","1.026","","","","has coordinates,has disorder","233215","2020-10-21","18:00:00",""
"4348644","16.6719","0.0013","20.041","0.0014","25.0314","0.0018","90","","105.168","0.003","90","","8072.2","1","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C48 H38 Cl2 P2 Pt S -","- C48 H38 Cl2 P2 Pt S -","- C384 H304 Cl16 P16 Pt8 S8 -","8","2","","Cao, Yang; Wolf, Michael O.; Patrick, Brian O.","Dual-Emissive Platinum(II) Metallacycles with Thiophene-Containing Bisacetylide Ligands.","Inorganic chemistry","2016","55","17","8985","8993","10.1021/acs.inorgchem.6b01464","","x-ray","0.71073","MoKα","","0.0363","0.0259","","","0.05","0.0527","","","","","","1.031","","","","has coordinates","233217","2020-10-21","18:00:00",""
"4348645","17.444","0.002","23.888","0.003","20.171","0.003","90","","94.2102","0.0015","90","","8382.6","1.9","173","2","173.15","","","","","","","","","8","P 1 21/a 1","-P 2yab","14","","","","- C48 H70 Co2 N24 Na2 O130 P4 W32 -","- C48 H70 Co2 N24 Na2 O130 P4 W32 -","- C96 H140 Co4 N48 Na4 O260 P8 W64 -","2","0.5","","Guo, Ling-Yu; Zeng, Su-Yuan; Jagličić, Zvonko; Hu, Qi-Dong; Wang, Shi-Xuan; Wang, Zhi; Sun, Di","A Pyridazine-Bridged Sandwiched Cluster Incorporating Planar Hexanuclear Cobalt Ring and Bivacant Phosphotungstate.","Inorganic chemistry","2016","55","17","9006","9011","10.1021/acs.inorgchem.6b01468","","","0.71073","MoKα","","0.105","0.0509","","","0.1069","0.1227","","","","","","0.877","","","","has coordinates","233219","2020-10-21","18:00:00",""
"4348646","12.1218","0.0005","44.069","0.002","13.7866","0.0007","90","","92.743","0.003","90","","7356.3","0.6","173","2","173.15","","","","","","","","","8","P 1 21 1","P 2yb","4","","","","- C32 H32 Co9 N16 Na O124 P2 W20 -","- C32 H32 Co9 N16 Na O124 P2 W20 -","- C64 H64 Co18 N32 Na2 O248 P4 W40 -","2","1","","Guo, Ling-Yu; Zeng, Su-Yuan; Jagličić, Zvonko; Hu, Qi-Dong; Wang, Shi-Xuan; Wang, Zhi; Sun, Di","A Pyridazine-Bridged Sandwiched Cluster Incorporating Planar Hexanuclear Cobalt Ring and Bivacant Phosphotungstate.","Inorganic chemistry","2016","55","17","9006","9011","10.1021/acs.inorgchem.6b01468","","","0.71073","MoKα","","0.0508","0.0419","","","0.0958","0.0993","","","","","","0.996","","","","has coordinates","233221","2020-10-21","18:00:00",""
"4348647","14.0063","0.0015","21.093","0.002","14.0094","0.0015","90","","111.545","0.0009","90","","3849.7","0.7","298","2","298.15","","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C24 H35 N12 O66 P2 W18 -","- C24 H24 N12 O68 P2 W18 -","- C48 H48 N24 O136 P4 W36 -","2","0.5","","Guo, Ling-Yu; Zeng, Su-Yuan; Jagličić, Zvonko; Hu, Qi-Dong; Wang, Shi-Xuan; Wang, Zhi; Sun, Di","A Pyridazine-Bridged Sandwiched Cluster Incorporating Planar Hexanuclear Cobalt Ring and Bivacant Phosphotungstate.","Inorganic chemistry","2016","55","17","9006","9011","10.1021/acs.inorgchem.6b01468","","","0.71073","MoKα","","0.0533","0.0403","","","0.1057","0.1158","","","","","","1.011","","","","has coordinates","233221","2020-10-21","18:00:00",""
"4348649","12.321","0.0005","8.9901","0.0004","13.88","0.0006","90","","99.527","0.002","90","","1516.24","0.11","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C15 H10 Br Mn N2 O3 -","- C15 H10 Br Mn N2 O3 -","- C60 H40 Br4 Mn4 N8 O12 -","4","1","","Spall, Steven J. P.; Keane, Theo; Tory, Joanne; Cocker, Dean C.; Adams, Harry; Fowler, Hannah; Meijer, Anthony J. H. M.; Hartl, František; Weinstein, Julia A.","Manganese Tricarbonyl Complexes with Asymmetric 2-Iminopyridine Ligands: Toward Decoupling Steric and Electronic Factors in Electrocatalytic CO<sub>2</sub> Reduction.","Inorganic chemistry","2016","55","24","12568","12582","10.1021/acs.inorgchem.6b01477","","","1.54178","CuKα","","0.0657","0.0445","","","0.0823","0.0888","","","","","","1.06","","","","has coordinates,has disorder","233225","2020-10-21","18:00:00",""
"4348650","11.8877","0.0006","16.2378","0.0008","23.995","0.0012","90","","101.064","0.001","90","","4545.7","0.4","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","LFeFeCl","","","- C44 H72 Cl Fe2 N4 P3 -","- C44 H72 Cl Fe2 N4 P3 -","- C176 H288 Cl4 Fe8 N16 P12 -","4","1","","Miller, Deanna L.; Siedschlag, Randall B.; Clouston, Laura J.; Young, Jr, Victor G; Chen, Yu-Sheng; Bill, Eckhard; Gagliardi, Laura; Lu, Connie C.","Redox Pairs of Diiron and Iron-Cobalt Complexes with High-Spin Ground States.","Inorganic chemistry","2016","55","19","9725","9735","10.1021/acs.inorgchem.6b01487","","","0.71073","MoKα","","0.0675","0.0465","","","0.1121","0.1258","","","","","","1.035","","","","has coordinates","233228","2020-10-21","18:00:00",""
"4348651","11.8696","0.0005","16.219","0.0007","24.3507","0.0011","90","","100.565","0.001","90","","4608.4","0.3","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","LFeFeBr","","","- C44 H72 Br Fe2 N4 P3 -","- C44 H72 Br Fe2 N4 P3 -","- C176 H288 Br4 Fe8 N16 P12 -","4","1","","Miller, Deanna L.; Siedschlag, Randall B.; Clouston, Laura J.; Young, Jr, Victor G; Chen, Yu-Sheng; Bill, Eckhard; Gagliardi, Laura; Lu, Connie C.","Redox Pairs of Diiron and Iron-Cobalt Complexes with High-Spin Ground States.","Inorganic chemistry","2016","55","19","9725","9735","10.1021/acs.inorgchem.6b01487","","","0.71073","MoKα","","0.0646","0.0435","","","0.1052","0.1165","","","","","","1.026","","","","has coordinates","233228","2020-10-21","18:00:00",""
"4348652","15.8611","0.0016","15.8611","0.0016","11.7814","0.0012","90","","90","","120","","2566.8","0.4","173","2","173","2","","","","","","","","5","P 3 2 1","P 3 2""","150","LFe2","","","- C39 H60 Fe2 N4 P3 -","- C39 H60 Fe2 N4 P3 -","- C78 H120 Fe4 N8 P6 -","2","0.333333","","Miller, Deanna L.; Siedschlag, Randall B.; Clouston, Laura J.; Young, Jr, Victor G; Chen, Yu-Sheng; Bill, Eckhard; Gagliardi, Laura; Lu, Connie C.","Redox Pairs of Diiron and Iron-Cobalt Complexes with High-Spin Ground States.","Inorganic chemistry","2016","55","19","9725","9735","10.1021/acs.inorgchem.6b01487","","","0.71073","MoKα","","0.0608","0.0383","","","0.0662","0.0704","","","","","","0.774","","","","has coordinates","233228","2020-10-21","18:00:00",""
"4348653","11.85","0.0007","16.2123","0.001","23.9996","0.0014","90","","101.475","0.001","90","","4518.5","0.5","173","2","173","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","LFeCoCl","","","- C44 H72 Cl Co Fe N4 P3 -","- C44 H72 Cl Co Fe N4 P3 -","- C176 H288 Cl4 Co4 Fe4 N16 P12 -","4","1","","Miller, Deanna L.; Siedschlag, Randall B.; Clouston, Laura J.; Young, Jr, Victor G; Chen, Yu-Sheng; Bill, Eckhard; Gagliardi, Laura; Lu, Connie C.","Redox Pairs of Diiron and Iron-Cobalt Complexes with High-Spin Ground States.","Inorganic chemistry","2016","55","19","9725","9735","10.1021/acs.inorgchem.6b01487","","","0.71073","MoKα","","0.0627","0.0435","","","0.1045","0.1153","","","","","","1.05","","","","has coordinates","233228","2020-10-21","18:00:00",""
"4348654","11.837","0.002","15.715","0.003","11.986","0.002","90","","101.343","0.002","90","","2186.1","0.7","173","2","173","2","","","","","","","","7","P 1 21 1","P 2yb","4","LFeCo","","","- C43 H68 Co Fe N4 O P3 -","- C43 H68 Co Fe N4 O P3 -","- C86 H136 Co2 Fe2 N8 O2 P6 -","2","1","","Miller, Deanna L.; Siedschlag, Randall B.; Clouston, Laura J.; Young, Jr, Victor G; Chen, Yu-Sheng; Bill, Eckhard; Gagliardi, Laura; Lu, Connie C.","Redox Pairs of Diiron and Iron-Cobalt Complexes with High-Spin Ground States.","Inorganic chemistry","2016","55","19","9725","9735","10.1021/acs.inorgchem.6b01487","","","0.71073","MoKα","","0.066","0.0515","","","0.1284","0.1406","","","","","","1.034","","","","has coordinates","233228","2020-10-21","18:00:00",""
"4348655","15.339","0.0016","22.659","0.002","17.0592","0.0018","90","","91.217","0.002","90","","5927.9","1","173","2","173","2","","","","","","","","8","P 1 21 1","P 2yb","4","LFeFe(ClLi)(THF)3","","","- C53 H88 Cl Fe2 Li N4 O3.5 P3 -","- C53 H88 Cl Fe2 Li N4 O3.5 P3 -","- C212 H352 Cl4 Fe8 Li4 N16 O14 P12 -","4","2","","Miller, Deanna L.; Siedschlag, Randall B.; Clouston, Laura J.; Young, Jr, Victor G; Chen, Yu-Sheng; Bill, Eckhard; Gagliardi, Laura; Lu, Connie C.","Redox Pairs of Diiron and Iron-Cobalt Complexes with High-Spin Ground States.","Inorganic chemistry","2016","55","19","9725","9735","10.1021/acs.inorgchem.6b01487","","","0.71073","MoKα","","0.182","0.0751","","","0.1267","0.157","","","","","","0.87","","","","has coordinates","254024","2020-10-21","18:00:00",""
"4348656","11.7539","0.0008","16.248","0.0011","23.9122","0.0015","90","","101.641","0.001","90","","4472.8","0.5","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C44 H72 Cl Co1.05 Fe0.95 N4 P3 -","- C44 H72 Cl Co1.054 Fe0.946 N4 P3 -","- C176 H288 Cl4 Co4.216 Fe3.784 N16 P12 -","4","1","","Miller, Deanna L.; Siedschlag, Randall B.; Clouston, Laura J.; Young, Jr, Victor G; Chen, Yu-Sheng; Bill, Eckhard; Gagliardi, Laura; Lu, Connie C.","Redox Pairs of Diiron and Iron-Cobalt Complexes with High-Spin Ground States.","Inorganic chemistry","2016","55","19","9725","9735","10.1021/acs.inorgchem.6b01487","","","0.4133","synchrotron","","0.1019","0.0545","","","0.1209","0.1406","","","","","","1.022","","","","has coordinates","233231","2020-10-21","18:00:00",""
"4348657","11.9236","0.0007","16.091","0.001","11.9417","0.0007","90","","105.033","0.001","90","","2212.8","0.2","230","2","230","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C43 H68 Co0.95 Fe1.05 N4 O P3 -","- C43 H68 Co0.944 Fe1.056 N4 O P3 -","- C86 H136 Co1.888 Fe2.112 N8 O2 P6 -","2","1","","Miller, Deanna L.; Siedschlag, Randall B.; Clouston, Laura J.; Young, Jr, Victor G; Chen, Yu-Sheng; Bill, Eckhard; Gagliardi, Laura; Lu, Connie C.","Redox Pairs of Diiron and Iron-Cobalt Complexes with High-Spin Ground States.","Inorganic chemistry","2016","55","19","9725","9735","10.1021/acs.inorgchem.6b01487","","","0.41328","synchrotron","","0.0739","0.0496","","","0.1248","0.1416","","","","","","1.035","","","","has coordinates,has disorder","233231","2020-10-21","18:00:00",""
"4348658","32.409","0.004","16.0452","0.0015","30.388","0.003","90","","121.729","0.003","90","","13440","3","291","2","291","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C120 H120 Cl12 N12 O12 Zn4 -","- C120 H120 Cl12 N12 O12 Zn4 -","- C480 H480 Cl48 N48 O48 Zn16 -","4","0.5","","Hu, Yong; Zhang, Lei; Chang, Fei-Fan; Zhao, Pei-Chen; Feng, Gen-Feng; Zhang, Kun; Huang, Wei","Construction of Chiral [4 + 4] and [2 + 2] Schiff-Base Macrocyclic Zinc(II) Complexes Influenced by Counterions and Pendant Arms.","Inorganic chemistry","2016","55","17","8260","8262","10.1021/acs.inorgchem.6b01493","","","0.71073","MoKα","","0.1201","0.069","","","0.1741","0.193","","","","","","1.068","","","","has coordinates","233234","2020-10-21","18:00:00",""
"4348659","16.7895","0.0012","16.7895","0.0012","25.613","0.004","90","","90","","90","","7220","1.3","123","2","123","2","","","","","","","","6","P 41 21 2","P 4abw 2nw","92","","","","- C66 H84 Cl4 N8 O18 Zn2 -","- C66 H84 Cl4 N8 O18 Zn2 -","- C264 H336 Cl16 N32 O72 Zn8 -","4","0.5","","Hu, Yong; Zhang, Lei; Chang, Fei-Fan; Zhao, Pei-Chen; Feng, Gen-Feng; Zhang, Kun; Huang, Wei","Construction of Chiral [4 + 4] and [2 + 2] Schiff-Base Macrocyclic Zinc(II) Complexes Influenced by Counterions and Pendant Arms.","Inorganic chemistry","2016","55","17","8260","8262","10.1021/acs.inorgchem.6b01493","","","0.71073","MoKα","","0.072","0.0436","","","0.1128","0.1299","","","","","","1.009","","","","has coordinates","233234","2020-10-21","18:00:00",""
"4348660","14.8383","0.001","14.8383","0.001","33.384","0.005","90","","90","","90","","7350.3","1.3","123","2","123","2","","","","","","","","6","P 43 21 2","P 4nw 2abw","96","","","","- C68 H88 Cl4 N8 O16 Zn2 -","- C68 H88 Cl4 N8 O16 Zn2 -","- C272 H352 Cl16 N32 O64 Zn8 -","4","0.5","","Hu, Yong; Zhang, Lei; Chang, Fei-Fan; Zhao, Pei-Chen; Feng, Gen-Feng; Zhang, Kun; Huang, Wei","Construction of Chiral [4 + 4] and [2 + 2] Schiff-Base Macrocyclic Zinc(II) Complexes Influenced by Counterions and Pendant Arms.","Inorganic chemistry","2016","55","17","8260","8262","10.1021/acs.inorgchem.6b01493","","","0.71073","MoKα","","0.0974","0.0517","","","0.1043","0.1177","","","","","","1.002","","","","has coordinates","233234","2020-10-21","18:00:00",""
"4348661","14.83","0.002","14.83","0.002","33.197","0.007","90","","90","","90","","7301","2","123","2","123","2","","","","","","","","6","P 41 21 2","P 4abw 2nw","92","","","","- C68 H88 Cl4 N8 O16 Zn2 -","- C68 H88 Cl4 N8 O16 Zn2 -","- C272 H352 Cl16 N32 O64 Zn8 -","4","0.5","","Hu, Yong; Zhang, Lei; Chang, Fei-Fan; Zhao, Pei-Chen; Feng, Gen-Feng; Zhang, Kun; Huang, Wei","Construction of Chiral [4 + 4] and [2 + 2] Schiff-Base Macrocyclic Zinc(II) Complexes Influenced by Counterions and Pendant Arms.","Inorganic chemistry","2016","55","17","8260","8262","10.1021/acs.inorgchem.6b01493","","","0.71073","MoKα","","0.0421","0.0399","","","0.0969","0.0979","","","","","","1.079","","","","has coordinates","233234","2020-10-21","18:00:00",""
"4348662","13.764","0.004","33.007","0.01","14.389","0.004","90","","111.325","0.004","90","","6089","3","123","2","123","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C60 H62 Cl4 N8 O10 Zn2 -","- C60 H62 Cl4 N8 O10 Zn2 -","- C240 H248 Cl16 N32 O40 Zn8 -","4","1","","Hu, Yong; Zhang, Lei; Chang, Fei-Fan; Zhao, Pei-Chen; Feng, Gen-Feng; Zhang, Kun; Huang, Wei","Construction of Chiral [4 + 4] and [2 + 2] Schiff-Base Macrocyclic Zinc(II) Complexes Influenced by Counterions and Pendant Arms.","Inorganic chemistry","2016","55","17","8260","8262","10.1021/acs.inorgchem.6b01493","","","0.71073","MoKα","","0.0893","0.0528","","","0.1319","0.1499","","","","","","1.031","","","","has coordinates","233234","2020-10-21","18:00:00",""
"4348663","18.0878","0.0008","8.7429","0.0003","16.401","0.0007","90","","110.971","0.005","90","","2421.85","0.19","183","2","183","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C20 H29 Br2 N2 O3 Re -","- C20 H29 Br2 N2 O3 Re -","- C80 H116 Br8 N8 O12 Re4 -","4","1","","Frei, Angelo; Sidler, David; Mokolokolo, Pennie; Braband, Henrik; Fox, Thomas; Spingler, Bernhard; Roodt, Andreas; Alberto, Roger","Kinetics and Mechanism of CO Exchange in fac-[MBr2(solvent)(CO)3](-) (M = Re, (99)Tc).","Inorganic chemistry","2016","55","18","9352","9360","10.1021/acs.inorgchem.6b01503","","","0.71073","MoKα","","0.0498","0.0334","","","0.0616","0.0676","","","","","","1.041","","","","has coordinates,has disorder","233238","2020-10-21","18:00:00",""
"4348664","7.3143","0.0003","20.0387","0.0006","12.5146","0.0004","90","","103.754","0.004","90","","1781.66","0.11","183","2","183","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C12 H20 Br2 N O4 Re -","- C12 H20 Br2 N O4 Re -","- C48 H80 Br8 N4 O16 Re4 -","4","1","","Frei, Angelo; Sidler, David; Mokolokolo, Pennie; Braband, Henrik; Fox, Thomas; Spingler, Bernhard; Roodt, Andreas; Alberto, Roger","Kinetics and Mechanism of CO Exchange in fac-[MBr2(solvent)(CO)3](-) (M = Re, (99)Tc).","Inorganic chemistry","2016","55","18","9352","9360","10.1021/acs.inorgchem.6b01503","","","0.71073","MoKα","","0.0353","0.0286","","","0.0626","0.0656","","","","","","1.048","","","","has coordinates","233240","2020-10-21","18:00:00",""
"4348665","14.783","0.003","17.3","0.004","18.904","0.004","70.13","0.03","68.96","0.03","76.69","0.03","4211.3","1.9","200","","200","","","","","","","","","7","P -1","-P 1","2","","","","- C37.62 H33.42 Cu2 F6 N7.81 O8 S2 -","- C37.606 H33.409 Cu2 F6 N7.803 O8 S2 -","- C150.424 H133.636 Cu8 F24 N31.212 O32 S8 -","4","2","","Isaac, James A.; Gennarini, Federica; López, Isidoro; Thibon-Pourret, Aurore; David, Rolf; Gellon, Gisèle; Gennaro, Béatrice; Philouze, Christian; Meyer, Franc; Demeshko, Serhiy; Le Mest, Yves; Réglier, Marius; Jamet, Hélène; Le Poul, Nicolas; Belle, Catherine","Room-Temperature Characterization of a Mixed-Valent μ-Hydroxodicopper(II,III) Complex.","Inorganic chemistry","2016","55","17","8263","8266","10.1021/acs.inorgchem.6b01504","","x-ray","0.71073","MoKα","","0.1058","0.0474","","","0.1083","0.1478","","","","","","1.039","","","","has coordinates,has disorder","233242","2020-10-21","18:00:00",""
"4348666","19.664","0.0011","18.895","0.001","14.6049","0.0008","90","","90","","90","","5426.5","0.5","193","2","193","2","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C58 H80 Cl N3 P Rh Si2 -","- C58 H80 Cl N3 P Rh Si2 -","- C232 H320 Cl4 N12 P4 Rh4 Si8 -","4","1","","Troadec, Thibault; Prades, Amparo; Rodriguez, Ricardo; Mirgalet, Raphael; Baceiredo, Antoine; Saffon-Merceron, Nathalie; Branchadell, Vicenç; Kato, Tsuyoshi","Silacyclopropylideneplatinum(0) Complex as a Robust and Efficient Hydrosilylation Catalyst.","Inorganic chemistry","2016","55","16","8234","8240","10.1021/acs.inorgchem.6b01505","","","0.71073","MoKα","","0.1324","0.0533","","","0.0773","0.0955","","","","","","0.998","","","","has coordinates,has disorder","233244","2020-10-21","18:00:00",""
"4348667","41.148","0.005","10.4786","0.0014","22.226","0.003","90","","103.36","0.006","90","","9324","2","193","2","193","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C44 H62 Cl3 Cu N3 P Si2 -","- C44 H62 Cl3 Cu N3 P Si2 -","- C352 H496 Cl24 Cu8 N24 P8 Si16 -","8","1","","Troadec, Thibault; Prades, Amparo; Rodriguez, Ricardo; Mirgalet, Raphael; Baceiredo, Antoine; Saffon-Merceron, Nathalie; Branchadell, Vicenç; Kato, Tsuyoshi","Silacyclopropylideneplatinum(0) Complex as a Robust and Efficient Hydrosilylation Catalyst.","Inorganic chemistry","2016","55","16","8234","8240","10.1021/acs.inorgchem.6b01505","","","0.71073","MoKα","","0.1512","0.06","","","0.1156","0.1445","","","","","","1.011","","","","has coordinates,has disorder","233244","2020-10-21","18:00:00",""
"4348668","12.3136","0.0008","23.9606","0.0016","21.0017","0.0014","90","","95.833","0.002","90","","6164.3","0.7","193","2","193","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C47 H64 Au Cl13 N3 P Si2 -","- C47 H64 Au Cl13 N3 P Si2 -","- C188 H256 Au4 Cl52 N12 P4 Si8 -","4","1","","Troadec, Thibault; Prades, Amparo; Rodriguez, Ricardo; Mirgalet, Raphael; Baceiredo, Antoine; Saffon-Merceron, Nathalie; Branchadell, Vicenç; Kato, Tsuyoshi","Silacyclopropylideneplatinum(0) Complex as a Robust and Efficient Hydrosilylation Catalyst.","Inorganic chemistry","2016","55","16","8234","8240","10.1021/acs.inorgchem.6b01505","","","0.71073","MoKα","","0.048","0.0308","","","0.0722","0.0792","","","","","","1.011","","","","has coordinates,has disorder","233244","2020-10-21","18:00:00",""
"4348669","10.5453","0.0004","20.2719","0.0008","51.465","0.002","90","","93.99","0.003","90","","10975.2","0.7","193","2","193","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C51.75 H79.5 Cl1.5 N3 O P Pt Si4 -","- C51.75 H79.5 Cl1.5 N3 O P Pt Si4 -","- C414 H636 Cl12 N24 O8 P8 Pt8 Si32 -","8","2","","Troadec, Thibault; Prades, Amparo; Rodriguez, Ricardo; Mirgalet, Raphael; Baceiredo, Antoine; Saffon-Merceron, Nathalie; Branchadell, Vicenç; Kato, Tsuyoshi","Silacyclopropylideneplatinum(0) Complex as a Robust and Efficient Hydrosilylation Catalyst.","Inorganic chemistry","2016","55","16","8234","8240","10.1021/acs.inorgchem.6b01505","","","0.71073","MoKα","","0.0932","0.0485","","","0.0788","0.0915","","","","","","1.022","","","","has coordinates,has disorder","233244","2020-10-21","18:00:00",""
"4348670","18.1136","0.001","18.1136","0.001","47.919","0.002","90","","90","","120","","13615.9","1.2","250","2","250","2","","","","","","","","6","P 63/m","-P 6c","176","","","","- C162 H138 Cl8 Fe9 N60 O66 -","- C162 H138 Cl8 Fe9 N60 O66 -","- C324 H276 Cl16 Fe18 N120 O132 -","2","0.166667","","Abhervé, Alexandre; Recio-Carretero, María José; López-Jordà, Maurici; Clemente-Juan, Juan Modesto; Canet-Ferrer, Josep; Cantarero, Andrés; Clemente-León, Miguel; Coronado, Eugenio","Nonanuclear Spin-Crossover Complex Containing Iron(II) and Iron(III) Based on a 2,6-Bis(pyrazol-1-yl)pyridine Ligand Functionalized with a Carboxylate Group.","Inorganic chemistry","2016","55","18","9361","9367","10.1021/acs.inorgchem.6b01508","","","0.71073","MoKα","","0.182","0.0891","","","0.2543","0.3268","","","","","","0.929","","","","has coordinates","233247","2020-10-21","18:00:00",""
"4348671","18.1644","0.0006","18.1644","0.0006","48.1237","0.001","90","","90","","120","","13750.9","0.7","120","2","120","2","","","","","","","","6","P 63/m","-P 6c","176","","","","- C162 H138 Cl8 Fe9 N60 O66 -","- C162 H138 Cl8 Fe9 N60 O66 -","- C324 H276 Cl16 Fe18 N120 O132 -","2","0.166667","","Abhervé, Alexandre; Recio-Carretero, María José; López-Jordà, Maurici; Clemente-Juan, Juan Modesto; Canet-Ferrer, Josep; Cantarero, Andrés; Clemente-León, Miguel; Coronado, Eugenio","Nonanuclear Spin-Crossover Complex Containing Iron(II) and Iron(III) Based on a 2,6-Bis(pyrazol-1-yl)pyridine Ligand Functionalized with a Carboxylate Group.","Inorganic chemistry","2016","55","18","9361","9367","10.1021/acs.inorgchem.6b01508","","","0.71073","MoKα","","0.1382","0.0672","","","0.2067","0.2664","","","","","","0.833","","","","has coordinates","233249","2020-10-21","18:00:00",""
"4348672","8.9899","0.0003","9.6169","0.0003","15.8333","0.0007","92.353","0.003","93.954","0.003","94.633","0.003","1359.65","0.09","250","2","250","2","","","","","","","","5","P -1","-P 1","2","","","","- C52 H78 N2 P4 Pt2 -","- C52 H78 N2 P4 Pt2 -","- C52 H78 N2 P4 Pt2 -","1","0.5","","Al-Balushi, Rayya A; Haque, Ashanul; Jayapal, Maharaja; Al-Suti, Mohammed K; Husband, John; Khan, Muhammad S.; Skelton, Jonathan M.; Molloy, Kieran C.; Raithby, Paul R.","Impact of the Alkyne Substitution Pattern and Metalation on the Photoisomerization of Azobenzene-Based Platinum(II) Diynes and Polyynes.","Inorganic chemistry","2016","55","21","10955","10967","10.1021/acs.inorgchem.6b01509","","","0.71073","MoKα","","0.0545","0.0397","","","0.0809","0.0879","","","","","","1.042","","","","has coordinates,has disorder","233252","2020-10-21","18:00:00",""
"4348673","18.7794","0.0004","10.5232","0.0002","14.8114","0.0003","90","","110.929","0.003","90","","2733.91","0.11","150","","150","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C52 H78 N2 P4 Pt2 -","- C52 H78 N2 P4 Pt2 -","- C104 H156 N4 P8 Pt4 -","2","0.5","","Al-Balushi, Rayya A; Haque, Ashanul; Jayapal, Maharaja; Al-Suti, Mohammed K; Husband, John; Khan, Muhammad S.; Skelton, Jonathan M.; Molloy, Kieran C.; Raithby, Paul R.","Impact of the Alkyne Substitution Pattern and Metalation on the Photoisomerization of Azobenzene-Based Platinum(II) Diynes and Polyynes.","Inorganic chemistry","2016","55","21","10955","10967","10.1021/acs.inorgchem.6b01509","","x-ray","0.71073","MoKα","","0.0396","0.0287","","","0.0508","0.0533","","","","","","1.06","","","","has coordinates","233254","2020-10-21","18:00:00",""
"4348674","15.3627","0.0011","17.529","0.0012","20.8212","0.0015","90","","107.921","0.0017","90","","5335","0.7","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C60.5 H79 N2 Si Te -","- C60.5 H78.431 N2 Si Te -","- C242 H313.724 N8 Si4 Te4 -","4","1","","Lutters, Dennis; Merk, Anastasia; Schmidtmann, Marc; Müller, Thomas","The Silicon Version of Phosphine Chalcogenides: Synthesis and Bonding Analysis of Stabilized Heavy Silaaldehydes.","Inorganic chemistry","2016","55","17","9026","9032","10.1021/acs.inorgchem.6b01510","","","0.71073","MoKα","","0.0583","0.0453","","","0.1213","0.1291","","","","","","1.086","","","","has coordinates,has disorder","233257","2020-10-21","18:00:00",""
"4348675","15.403","0.0008","17.2623","0.0009","20.5674","0.0011","90","","107.359","0.0017","90","","5219.6","0.5","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C60.5 H79 N2 S Si -","- C60.5 H79 N2 S Si -","- C242 H316 N8 S4 Si4 -","4","1","","Lutters, Dennis; Merk, Anastasia; Schmidtmann, Marc; Müller, Thomas","The Silicon Version of Phosphine Chalcogenides: Synthesis and Bonding Analysis of Stabilized Heavy Silaaldehydes.","Inorganic chemistry","2016","55","17","9026","9032","10.1021/acs.inorgchem.6b01510","","","0.71073","MoKα","","0.0824","0.0611","","","0.1635","0.1808","","","","","","1.038","","","","has coordinates,has disorder","233258","2020-10-21","18:00:00",""
"4348676","11.2398","0.0005","15.006","0.0006","16.0256","0.0006","82.8145","0.0016","89.6729","0.0015","73.6366","0.0015","2571.86","0.18","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C57 H78 N2 Se Si -","- C57 H78 N2 Se Si -","- C114 H156 N4 Se2 Si2 -","2","1","","Lutters, Dennis; Merk, Anastasia; Schmidtmann, Marc; Müller, Thomas","The Silicon Version of Phosphine Chalcogenides: Synthesis and Bonding Analysis of Stabilized Heavy Silaaldehydes.","Inorganic chemistry","2016","55","17","9026","9032","10.1021/acs.inorgchem.6b01510","","","0.71073","MoKα","","0.0455","0.0333","","","0.0844","0.0915","","","","","","1.046","","","","has coordinates,has disorder","233260","2020-10-21","18:00:00",""
"4348677","15.4342","0.0005","8.3442","0.0002","20.5049","0.0007","90","","90.213","0.001","90","","2640.73","0.14","180","2","180","2","","","","","","","synthesis as described","4","C 1 2/c 1","-C 2yc","15","","","","- C30 H34 Fe N4 -","- C30 H34 Fe N4 -","- C120 H136 Fe4 N16 -","4","0.5","","Werncke, C. Gunnar; Bouammali, Mohammed-Amine; Baumard, Julie; Suaud, Nicolas; Martins, Cyril; Guihéry, Nathalie; Vendier, Laure; Zheng, Jianxia; Sortais, Jean-Baptiste; Darcel, Christophe; Sabo-Etienne, Sylviane; Sutter, Jean-Pascal; Bontemps, Sébastien; Pichon, Céline","Ising-type Magnetic Anisotropy and Slow Relaxation of the Magnetization in Four-Coordinate Amido-Pyridine Fe<sup>II</sup> Complexes.","Inorganic chemistry","2016","55","21","10968","10977","10.1021/acs.inorgchem.6b01512","","x-ray","0.71073","MoKα","","0.0499","0.0361","","","0.0908","0.0973","","","","","","1.058","","","","has coordinates","233262","2020-10-21","18:00:00",""
"4348678","9.5481","0.0003","16.8873","0.0004","11.0965","0.0003","90","","114.067","0.001","90","","1633.68","0.08","100","2","100","2","","","","","","","synthesis as described","4","P 1 21 1","P 2yb","4","","","","- C36 H46 Fe N4 -","- C36 H46 Fe N4 -","- C72 H92 Fe2 N8 -","2","1","","Werncke, C. Gunnar; Bouammali, Mohammed-Amine; Baumard, Julie; Suaud, Nicolas; Martins, Cyril; Guihéry, Nathalie; Vendier, Laure; Zheng, Jianxia; Sortais, Jean-Baptiste; Darcel, Christophe; Sabo-Etienne, Sylviane; Sutter, Jean-Pascal; Bontemps, Sébastien; Pichon, Céline","Ising-type Magnetic Anisotropy and Slow Relaxation of the Magnetization in Four-Coordinate Amido-Pyridine Fe<sup>II</sup> Complexes.","Inorganic chemistry","2016","55","21","10968","10977","10.1021/acs.inorgchem.6b01512","","","0.71073","MoKα","","0.0201","0.0196","","","0.0513","0.0515","","","","","","1.063","","","","has coordinates","233262","2020-10-21","18:00:00",""
"4348679","15.621","0.0005","15.888","0.0007","16.129","0.0006","117.427","0.004","91.352","0.003","116.232","0.004","3054.6","0.3","100","2","100","2","","","","","","","synthesis as described","4","P -1","-P 1","2","","","","- C67 H96 Fe N6 -","- C67 H96 Fe N6 -","- C134 H192 Fe2 N12 -","2","1","","Werncke, C. Gunnar; Bouammali, Mohammed-Amine; Baumard, Julie; Suaud, Nicolas; Martins, Cyril; Guihéry, Nathalie; Vendier, Laure; Zheng, Jianxia; Sortais, Jean-Baptiste; Darcel, Christophe; Sabo-Etienne, Sylviane; Sutter, Jean-Pascal; Bontemps, Sébastien; Pichon, Céline","Ising-type Magnetic Anisotropy and Slow Relaxation of the Magnetization in Four-Coordinate Amido-Pyridine Fe<sup>II</sup> Complexes.","Inorganic chemistry","2016","55","21","10968","10977","10.1021/acs.inorgchem.6b01512","","x-ray","0.71073","MoKα","","0.0516","0.0434","","","0.1063","0.1116","","","","","","1.036","","","","has coordinates,has disorder","233262","2020-10-21","18:00:00",""
"4348680","3.95","0.0008","10.568","0.002","18.064","0.004","90","","90","","90","","754.1","0.3","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","5-Bromothieno[2,3-d]-1,3-dithiol-2-one","5-Bromothieno[2,3-d]-1,3-dithiol-2-one","","- C5 H Br O S3 -","- C5 H Br O S3 -","- C20 H4 Br4 O4 S12 -","4","1","","Amb, Chad M.; Heth, Christopher L.; Evenson, Sean J.; Pokhodnya, Konstantin I.; Rasmussen, Seth C.","Thiophene-Fused Nickel Dithiolenes: A Synthetic Scaffold for Highly Delocalized π-Electron Systems.","Inorganic chemistry","2016","55","21","10978","10989","10.1021/acs.inorgchem.6b01513","","","0.71073","MoKα","","0.1009","0.0455","","","0.0827","0.1032","","","","","","1.031","","","","has coordinates","233265","2020-10-21","18:00:00",""
"4348681","16.996","0.0014","11.3007","0.0009","14.3233","0.0012","90","","95.217","0.001","90","","2739.6","0.4","293","2","566","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","Methylpyridinium Bis(bromothienylthiophenedithiolato)nickelate","N-Methylpyridinium Bis((5-(5-bromothienyl)-2,3-thiophenedithiolato)nickelate(III)","","- C22 H14 Br2 N Ni S8 -","- C22 H14 Br2 N Ni S8 -","- C88 H56 Br8 N4 Ni4 S32 -","4","1","","Amb, Chad M.; Heth, Christopher L.; Evenson, Sean J.; Pokhodnya, Konstantin I.; Rasmussen, Seth C.","Thiophene-Fused Nickel Dithiolenes: A Synthetic Scaffold for Highly Delocalized π-Electron Systems.","Inorganic chemistry","2016","55","21","10978","10989","10.1021/acs.inorgchem.6b01513","","","0.71073","MoKα","","0.1166","0.0562","","","0.1535","0.1932","","","","","","1.052","","","","has coordinates","233265","2020-10-21","18:00:00",""
"4348682","17.799","0.003","10.7709","0.0015","16.151","0.002","90","","105.043","0.003","90","","2990.2","0.8","273","2","273","2","","","","","","","","6","C 1 c 1","C -2yc","9","Methylpyridinium Bis(phenylthiophenedithiolato)nickelate","N-Methylpyridinium Bis(5-phenyl-2,3-thiophenedithiolato)nickelate(III)","","- C29 H27 N2 Ni O S6 -","- C29 H27 N2 Ni O S6 -","- C116 H108 N8 Ni4 O4 S24 -","4","1","","Amb, Chad M.; Heth, Christopher L.; Evenson, Sean J.; Pokhodnya, Konstantin I.; Rasmussen, Seth C.","Thiophene-Fused Nickel Dithiolenes: A Synthetic Scaffold for Highly Delocalized π-Electron Systems.","Inorganic chemistry","2016","55","21","10978","10989","10.1021/acs.inorgchem.6b01513","","","0.71073","MoKα","","0.0863","0.0487","","","0.1291","0.1519","","","","","","1.038","","","","has coordinates","233265","2020-10-21","18:00:00",""
"4348683","23.5284","0.0013","14.9322","0.0008","21.9348","0.0012","90","","116.1","0.001","90","","6920.5","0.7","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C84 H86 Ga2 N4 O2 -","- C84 H86 Ga2 N4 O2 -","- C336 H344 Ga8 N16 O8 -","4","0.5","","Fedushkin, Igor L.; Skatova, Alexandra A.; Dodonov, Vladimir A.; Yang, Xiao-Juan; Chudakova, Valentina A.; Piskunov, Alexander V.; Demeshko, Serhiy; Baranov, Evgeny V.","Ligand ""Brackets"" for Ga-Ga Bond.","Inorganic chemistry","2016","55","17","9047","9056","10.1021/acs.inorgchem.6b01514","","","0.71073","MoKα","","0.0721","0.0499","","","0.1107","0.1192","","","","","","1.035","","","","has coordinates","233267","2020-10-21","18:00:00",""
"4348684","23.8688","0.0004","14.9155","0.0003","22.1366","0.0004","90","","117.365","0.004","90","","6999.1","0.3","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C84 H86 Ga2 N4 O3 -","- C84 H86 Ga2 N4 O3 -","- C336 H344 Ga8 N16 O12 -","4","0.5","","Fedushkin, Igor L.; Skatova, Alexandra A.; Dodonov, Vladimir A.; Yang, Xiao-Juan; Chudakova, Valentina A.; Piskunov, Alexander V.; Demeshko, Serhiy; Baranov, Evgeny V.","Ligand ""Brackets"" for Ga-Ga Bond.","Inorganic chemistry","2016","55","17","9047","9056","10.1021/acs.inorgchem.6b01514","","","0.71073","MoKα","","0.0436","0.0344","","","0.0854","0.09","","","","","","1.041","","","","has coordinates","233269","2020-10-21","18:00:00",""
"4348685","12.97508","0.00014","12.97508","0.00014","23.9693","0.0004","90","","90","","90","","4035.3","0.09","100","2","100","2","","","","","","","","6","I -4 2 m","I -4 2","121","","","","- C76 H90 Ga2 N4 O10 S4 -","- C76 H90 Ga2 N4 O10 S4 -","- C152 H180 Ga4 N8 O20 S8 -","2","0.125","","Fedushkin, Igor L.; Skatova, Alexandra A.; Dodonov, Vladimir A.; Yang, Xiao-Juan; Chudakova, Valentina A.; Piskunov, Alexander V.; Demeshko, Serhiy; Baranov, Evgeny V.","Ligand ""Brackets"" for Ga-Ga Bond.","Inorganic chemistry","2016","55","17","9047","9056","10.1021/acs.inorgchem.6b01514","","","0.71073","MoKα","","0.0377","0.0365","","","0.0963","0.0976","","","","","","1.066","","","","has coordinates,has disorder","233270","2020-10-21","18:00:00",""
"4348686","14.747","0.0003","13.6449","0.0003","19.1465","0.0005","90","","101.078","0.001","90","","3780.9","0.15","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C91 H98 Ga2 N6 -","- C91 H98 Ga2 N6 -","- C182 H196 Ga4 N12 -","2","0.5","","Fedushkin, Igor L.; Skatova, Alexandra A.; Dodonov, Vladimir A.; Yang, Xiao-Juan; Chudakova, Valentina A.; Piskunov, Alexander V.; Demeshko, Serhiy; Baranov, Evgeny V.","Ligand ""Brackets"" for Ga-Ga Bond.","Inorganic chemistry","2016","55","17","9047","9056","10.1021/acs.inorgchem.6b01514","","","0.71073","MoKα","","0.0614","0.0403","","","0.0972","0.1047","","","","","","1.022","","","","has coordinates,has disorder","233272","2020-10-21","18:00:00",""
"4348687","12.9374","0.0005","14.6037","0.0005","14.7453","0.0005","72.829","0.001","75.429","0.001","67.973","0.001","2436.02","0.15","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C124 H124 Ga2 N4 O4 -","- C124 H124 Ga2 N4 O4 -","- C124 H124 Ga2 N4 O4 -","1","0.5","","Fedushkin, Igor L.; Skatova, Alexandra A.; Dodonov, Vladimir A.; Yang, Xiao-Juan; Chudakova, Valentina A.; Piskunov, Alexander V.; Demeshko, Serhiy; Baranov, Evgeny V.","Ligand ""Brackets"" for Ga-Ga Bond.","Inorganic chemistry","2016","55","17","9047","9056","10.1021/acs.inorgchem.6b01514","","","0.71073","MoKα","","0.0596","0.0496","","","0.1318","0.1382","","","","","","1.058","","","","has coordinates,has disorder","233273","2020-10-21","18:00:00",""
"4348688","12.3566","0.0004","16.3799","0.0006","18.7927","0.0007","71.809","0.001","72.252","0.001","79.35","0.001","3424.6","0.2","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C75 H86.3 Ga2 N4 O4.15 S2 -","- C75 H86.3 Ga2 N4 O4.15 S2 -","- C150 H172.6 Ga4 N8 O8.3 S4 -","2","1","","Fedushkin, Igor L.; Skatova, Alexandra A.; Dodonov, Vladimir A.; Yang, Xiao-Juan; Chudakova, Valentina A.; Piskunov, Alexander V.; Demeshko, Serhiy; Baranov, Evgeny V.","Ligand ""Brackets"" for Ga-Ga Bond.","Inorganic chemistry","2016","55","17","9047","9056","10.1021/acs.inorgchem.6b01514","","","0.71073","MoKα","","0.0881","0.0531","","","0.125","0.135","","","","","","1.027","","","","has coordinates,has disorder","233274","2020-10-21","18:00:00",""
"4348689","15.0037","0.0008","35.8043","0.0019","18.2681","0.001","90","","110.125","0.001","90","","9214.4","0.9","296","2","296","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C36 H26 Cd N4 O4 -","- C36 H26 Cd N4 O4 -","- C432 H312 Cd12 N48 O48 -","12","3","","Wang, Zhong-Jie; Qin, Ling; Chen, Jin-Xi; Zheng, He-Gen","H-Bonding Interactions Induced Two Isostructural Cd(II) Metal-Organic Frameworks Showing Different Selective Detection of Nitroaromatic Explosives.","Inorganic chemistry","2016","55","21","10999","11005","10.1021/acs.inorgchem.6b01521","","","0.71073","MoKα","","0.0395","0.0351","","","0.0891","0.0915","","","","","","1.023","","","","has coordinates","233276","2020-10-21","18:00:00",""
"4348690","14.8912","0.0008","35.3496","0.0018","18.1589","0.0009","90","","107.305","0.001","90","","9126.1","0.8","293","2","293","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C36 H25 Cd N3 O5 -","- C36 H25 Cd N3 O5 -","- C432 H300 Cd12 N36 O60 -","12","3","","Wang, Zhong-Jie; Qin, Ling; Chen, Jin-Xi; Zheng, He-Gen","H-Bonding Interactions Induced Two Isostructural Cd(II) Metal-Organic Frameworks Showing Different Selective Detection of Nitroaromatic Explosives.","Inorganic chemistry","2016","55","21","10999","11005","10.1021/acs.inorgchem.6b01521","","","0.71073","MoKα","","0.0277","0.0256","","","0.0617","0.0627","","","","","","1.052","","","","has coordinates","233276","2020-10-21","18:00:00",""
"4348691","13.45","0.005","23.923","0.008","14.435","0.005","90","","98.121","0.004","90","","4598","3","230","","230","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C80 H114 Br8 Mo6 N2 O14 -","- C80 H114 Br8 Mo6 N2 O14 -","- C160 H228 Br16 Mo12 N4 O28 -","2","0.5","","Fujii, Sho; Horiguchi, Taishiro; Akagi, Soichiro; Kitamura, Noboru","Quasi-One-Step Six-Electron Electrochemical Reduction of an Octahedral Hexanuclear Molybdenum(II) Cluster.","Inorganic chemistry","2016","55","20","10259","10266","10.1021/acs.inorgchem.6b01525","","","0.71075","MoKα","","0.0824","0.0555","","","0.1516","0.1674","","","","","","1.077","","","","has coordinates","233277","2020-10-21","18:00:00",""
"4348692","14.775","","22.208","","14.907","","90","","97.717","","90","","4847.03","","150","","150","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C74 H90 Br8 Mo6 N14 O36 -","- C74 H90 Br8 Mo6 N14 O36 -","- C148 H180 Br16 Mo12 N28 O72 -","2","0.5","","Fujii, Sho; Horiguchi, Taishiro; Akagi, Soichiro; Kitamura, Noboru","Quasi-One-Step Six-Electron Electrochemical Reduction of an Octahedral Hexanuclear Molybdenum(II) Cluster.","Inorganic chemistry","2016","55","20","10259","10266","10.1021/acs.inorgchem.6b01525","","","0.71075","MoKα","","0.0746","0.0507","","","0.0999","0.1121","","","","","","1.101","","","","has coordinates","233279","2020-10-21","18:00:00",""
"4348693","11.56","0.0009","29.075","0.003","21.4073","0.0018","90","","90","","90","","7195.1","1.1","173","2","173","2","","","","","","","","7","P b c n","-P 2n 2ab","60","","","","- C17 H30 Cl6 F6 N8 O2 P6 -","- C17 H30 Cl6 F6 N8 O2 P6 -","- C136 H240 Cl48 F48 N64 O16 P48 -","8","1","","Beşli, Serap; Mutlu Balcı, Ceylan; Cantürk, Hakan; Doğan, Semih; Yuksel, Fatma; Allen, Christopher W.","Unexpected Ring Expansion of a Four-Membered Cyclophosphazane.","Inorganic chemistry","2016","55","16","7832","7834","10.1021/acs.inorgchem.6b01533","","","0.71073","MoKα","","0.0894","0.0587","","","0.1021","0.1119","","","","","","1.154","","","","has coordinates,has disorder","233280","2020-10-21","18:00:00",""
"4348694","11.2331","0.0004","13.1126","0.0005","13.3237","0.0005","82.884","0.002","78.434","0.0018","87.426","0.002","1907.45","0.12","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C24 H36 Cl6 N8 O2 P6 -","- C24 H36 Cl6 N8 O2 P6 -","- C48 H72 Cl12 N16 O4 P12 -","2","1","","Beşli, Serap; Mutlu Balcı, Ceylan; Cantürk, Hakan; Doğan, Semih; Yuksel, Fatma; Allen, Christopher W.","Unexpected Ring Expansion of a Four-Membered Cyclophosphazane.","Inorganic chemistry","2016","55","16","7832","7834","10.1021/acs.inorgchem.6b01533","","","0.71073","MoKα","","0.07","0.0458","","","0.1065","0.1205","","","","","","1.019","","","","has coordinates,has disorder","233280","2020-10-21","18:00:00",""
"4348695","9.4238","0.0015","16.1699","0.0016","7.5876","0.0011","90","","107.413","0.005","90","","1103.2","0.3","143","2","143","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C16 H16 N2 O14 Zn2 -","- C14 H16 N3.716 O14 Zn2 -","- C28 H32 N7.432 O28 Zn4 -","2","0.25","","Yamada, Teppei; Nankawa, Takuya","High Proton Conductivity of Zinc Oxalate Coordination Polymers Mediated by a Hydrogen Bond with Pyridinium.","Inorganic chemistry","2016","55","17","8267","8270","10.1021/acs.inorgchem.6b01534","","","0.71075","MoKα","","0.03","0.0283","","","0.0759","0.077","","","","","","1.107","","","","has coordinates","233282","2020-10-21","18:00:00",""
"4348696","15.06","0.03","15.76","0.03","9.879","0.019","90","","117.856","0.017","90","","2073","7","143.15","","143","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C16 H12 N2 O12 Zn2 -","- C16 H12 N2 O12 Zn2 -","- C64 H48 N8 O48 Zn8 -","4","0.5","","Yamada, Teppei; Nankawa, Takuya","High Proton Conductivity of Zinc Oxalate Coordination Polymers Mediated by a Hydrogen Bond with Pyridinium.","Inorganic chemistry","2016","55","17","8267","8270","10.1021/acs.inorgchem.6b01534","","","0.71075","MoKα","","0.1927","0.1121","","","0.2698","0.3518","","","","","","0.971","","","","has coordinates,has disorder","233284","2020-10-21","18:00:00",""
"4348697","17.20713","0.00012","16.1735","0.00011","39.3886","0.0003","90","","99.8316","0.0007","90","","10800.8","0.14","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C122 H148 Br4 N8 Ni4 -","- C122 H148 Br4 N8 Ni4 -","- C488 H592 Br16 N32 Ni16 -","4","1","","Pelties, Stefan; Carter, Emma; Folli, Andrea; Mahon, Mary F.; Murphy, Damien M.; Whittlesey, Michael K.; Wolf, Robert","Influence of Ring-Expanded N-Heterocyclic Carbenes on the Structures of Half-Sandwich Ni(I) Complexes: An X-ray, Electron Paramagnetic Resonance (EPR), and Electron Nuclear Double Resonance (ENDOR) Study.","Inorganic chemistry","2016","55","21","11006","11017","10.1021/acs.inorgchem.6b01540","","x-ray","1.54184","CuKα","","0.0429","0.0369","","","0.0808","0.0839","","","","","","1.043","","","","has coordinates,has disorder","233288","2020-10-21","18:00:00",""
"4348698","9.0299","0.0002","30.5459","0.0007","9.5199","0.0002","90","","117.041","0.003","90","","2338.79","0.11","150","2","150","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C27 H33 N2 Ni -","- C27 H33 N2 Ni -","- C108 H132 N8 Ni4 -","4","1","","Pelties, Stefan; Carter, Emma; Folli, Andrea; Mahon, Mary F.; Murphy, Damien M.; Whittlesey, Michael K.; Wolf, Robert","Influence of Ring-Expanded N-Heterocyclic Carbenes on the Structures of Half-Sandwich Ni(I) Complexes: An X-ray, Electron Paramagnetic Resonance (EPR), and Electron Nuclear Double Resonance (ENDOR) Study.","Inorganic chemistry","2016","55","21","11006","11017","10.1021/acs.inorgchem.6b01540","","x-ray","1.54184","CuKα","","0.0409","0.0365","","","0.0939","0.0979","","","","","","1.036","","","","has coordinates","233288","2020-10-21","18:00:00",""
"4348699","9.03948","0.00005","17.10755","0.00011","32.28154","0.00017","90","","90","","90","","4992.13","0.05","150.01","0.1","150.01","0.1","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C28 H35 Br N2 Ni -","- C28 H35 Br N2 Ni -","- C224 H280 Br8 N16 Ni8 -","8","1","","Pelties, Stefan; Carter, Emma; Folli, Andrea; Mahon, Mary F.; Murphy, Damien M.; Whittlesey, Michael K.; Wolf, Robert","Influence of Ring-Expanded N-Heterocyclic Carbenes on the Structures of Half-Sandwich Ni(I) Complexes: An X-ray, Electron Paramagnetic Resonance (EPR), and Electron Nuclear Double Resonance (ENDOR) Study.","Inorganic chemistry","2016","55","21","11006","11017","10.1021/acs.inorgchem.6b01540","","x-ray","1.54184","CuKα","","0.0331","0.0321","","","0.0767","0.0774","","","","","","1.089","","","","has coordinates","233288","2020-10-21","18:00:00",""
"4348700","9.0066","0.0003","9.4373","0.0003","15.9678","0.0005","100.212","0.003","93.339","0.003","113.601","0.003","1211.37","0.08","150","0.1","150","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C28 H35 N2 Ni -","- C28 H35 N2 Ni -","- C56 H70 N4 Ni2 -","2","1","","Pelties, Stefan; Carter, Emma; Folli, Andrea; Mahon, Mary F.; Murphy, Damien M.; Whittlesey, Michael K.; Wolf, Robert","Influence of Ring-Expanded N-Heterocyclic Carbenes on the Structures of Half-Sandwich Ni(I) Complexes: An X-ray, Electron Paramagnetic Resonance (EPR), and Electron Nuclear Double Resonance (ENDOR) Study.","Inorganic chemistry","2016","55","21","11006","11017","10.1021/acs.inorgchem.6b01540","","x-ray","1.54184","CuKα","","0.0377","0.0358","","","0.0931","0.0947","","","","","","1.059","","","","has coordinates","233288","2020-10-21","18:00:00",""
"4348701","25.7479","0.0004","8.52911","0.00012","27.6462","0.0004","90","","104.152","0.0015","90","","5887.02","0.15","123.01","0.1","123.01","0.1","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C32.5 H37 Br N2 Ni O2 -","- C32.5 H37 Br N2 Ni O2 -","- C260 H296 Br8 N16 Ni8 O16 -","8","1","","Pelties, Stefan; Carter, Emma; Folli, Andrea; Mahon, Mary F.; Murphy, Damien M.; Whittlesey, Michael K.; Wolf, Robert","Influence of Ring-Expanded N-Heterocyclic Carbenes on the Structures of Half-Sandwich Ni(I) Complexes: An X-ray, Electron Paramagnetic Resonance (EPR), and Electron Nuclear Double Resonance (ENDOR) Study.","Inorganic chemistry","2016","55","21","11006","11017","10.1021/acs.inorgchem.6b01540","","x-ray","1.54184","CuKα","","0.0322","0.0292","","","0.076","0.0783","","","","","","1.032","","","","has coordinates,has disorder","233288","2020-10-21","18:00:00",""
"4348702","26.0692","0.0004","9.07493","0.00017","21.6239","0.0004","90","","90","","90","","5115.7","0.16","150","0.1","150","0.1","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C29 H33 N2 Ni O2 -","- C29 H33 N2 Ni O2 -","- C232 H264 N16 Ni8 O16 -","8","1","","Pelties, Stefan; Carter, Emma; Folli, Andrea; Mahon, Mary F.; Murphy, Damien M.; Whittlesey, Michael K.; Wolf, Robert","Influence of Ring-Expanded N-Heterocyclic Carbenes on the Structures of Half-Sandwich Ni(I) Complexes: An X-ray, Electron Paramagnetic Resonance (EPR), and Electron Nuclear Double Resonance (ENDOR) Study.","Inorganic chemistry","2016","55","21","11006","11017","10.1021/acs.inorgchem.6b01540","","x-ray","1.54184","CuKα","","0.0483","0.0372","","","0.0982","0.1052","","","","","","1.017","","","","has coordinates,has disorder","233288","2020-10-21","18:00:00",""
"4348703","26.3054","0.0009","9.2","0.0003","21.7175","0.0006","90","","90","","90","","5255.8","0.3","273","0.1","273","0.1","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C29 H33 N2 Ni O2 -","- C29 H33 N2 Ni O2 -","- C232 H264 N16 Ni8 O16 -","8","1","","Pelties, Stefan; Carter, Emma; Folli, Andrea; Mahon, Mary F.; Murphy, Damien M.; Whittlesey, Michael K.; Wolf, Robert","Influence of Ring-Expanded N-Heterocyclic Carbenes on the Structures of Half-Sandwich Ni(I) Complexes: An X-ray, Electron Paramagnetic Resonance (EPR), and Electron Nuclear Double Resonance (ENDOR) Study.","Inorganic chemistry","2016","55","21","11006","11017","10.1021/acs.inorgchem.6b01540","","x-ray","1.54184","CuKα","","0.0646","0.0465","","","0.1154","0.126","","","","","","1.028","","","","has coordinates,has disorder","233288","2020-10-21","18:00:00",""
"4348704","11.7269","0.0005","16.6966","0.0006","13.9317","0.0006","90","","104.672","0.004","90","","2638.87","0.19","296.15","","296.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C56.83 H39.34 Fe2 N20 O0.83 -","- C56.834 H39.336 Fe2 N20 O0.834 -","- C113.668 H78.672 Fe4 N40 O1.668 -","2","0.5","","Milin, Eric; Belaïd, Sabrina; Patinec, Véronique; Triki, Smail; Chastanet, Guillaume; Marchivie, Mathieu","Dinuclear Spin-Crossover Complexes Based on Tetradentate and Bridging Cyanocarbanion Ligands.","Inorganic chemistry","2016","55","17","9038","9046","10.1021/acs.inorgchem.6b01542","","x-ray","0.71073","MoKα","","0.071","0.0506","","","0.1223","0.1366","","","","","","1.047","","","","has coordinates","233291","2020-10-21","18:00:00",""
"4348705","11.468","0.004","17.0057","0.0009","13.7743","0.0006","90","","105.098","0.009","90","","2593.6","0.9","296","","296","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C56 H36 Fe2 N20 -","- C56 H36 Fe2 N20 -","- C112 H72 Fe4 N40 -","2","0.5","","Milin, Eric; Belaïd, Sabrina; Patinec, Véronique; Triki, Smail; Chastanet, Guillaume; Marchivie, Mathieu","Dinuclear Spin-Crossover Complexes Based on Tetradentate and Bridging Cyanocarbanion Ligands.","Inorganic chemistry","2016","55","17","9038","9046","10.1021/acs.inorgchem.6b01542","","","0.71073","MoKα","","0.1147","0.0498","","","0.0671","0.0798","","","","","","1.021","","","","has coordinates","233291","2020-10-21","18:00:00",""
"4348706","11.468","0.004","17.0148","0.001","13.775","0.0005","90","","105.108","0.008","90","","2595","0.9","300","","300","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C56 H36 Fe2 N20 -","- C56 H36 Fe2 N20 -","- C112 H72 Fe4 N40 -","2","0.5","","Milin, Eric; Belaïd, Sabrina; Patinec, Véronique; Triki, Smail; Chastanet, Guillaume; Marchivie, Mathieu","Dinuclear Spin-Crossover Complexes Based on Tetradentate and Bridging Cyanocarbanion Ligands.","Inorganic chemistry","2016","55","17","9038","9046","10.1021/acs.inorgchem.6b01542","","","0.71073","MoKα","","0.1183","0.0504","","","0.0715","0.0855","","","","","","1.011","","","","has coordinates","264242","2021-04-16","08:52:18",""
"4348707","11.467","0.004","17.0268","0.001","13.7799","0.0005","90","","105.105","0.008","90","","2597.5","0.9","305","","305","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C56 H36 Fe2 N20 -","- C56 H36 Fe2 N20 -","- C112 H72 Fe4 N40 -","2","0.5","","Milin, Eric; Belaïd, Sabrina; Patinec, Véronique; Triki, Smail; Chastanet, Guillaume; Marchivie, Mathieu","Dinuclear Spin-Crossover Complexes Based on Tetradentate and Bridging Cyanocarbanion Ligands.","Inorganic chemistry","2016","55","17","9038","9046","10.1021/acs.inorgchem.6b01542","","","0.71073","MoKα","","0.1209","0.0525","","","0.0768","0.091","","","","","","1.011","","","","has coordinates","264242","2021-04-16","08:52:18",""
"4348708","11.47","0.004","17.0473","0.001","13.7884","0.0005","90","","105.126","0.008","90","","2602.7","0.9","310","","310","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C56 H36 Fe2 N20 -","- C56 H36 Fe2 N20 -","- C112 H72 Fe4 N40 -","2","0.5","","Milin, Eric; Belaïd, Sabrina; Patinec, Véronique; Triki, Smail; Chastanet, Guillaume; Marchivie, Mathieu","Dinuclear Spin-Crossover Complexes Based on Tetradentate and Bridging Cyanocarbanion Ligands.","Inorganic chemistry","2016","55","17","9038","9046","10.1021/acs.inorgchem.6b01542","","","0.71073","MoKα","","0.1266","0.0548","","","0.0799","0.0956","","","","","","1.016","","","","has coordinates","264242","2021-04-16","08:52:18",""
"4348709","11.462","0.004","17.06","0.001","13.7882","0.0005","90","","105.119","0.008","90","","2602.8","0.9","315","","315","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C56 H36 Fe2 N20 -","- C56 H36 Fe2 N20 -","- C112 H72 Fe4 N40 -","2","0.5","","Milin, Eric; Belaïd, Sabrina; Patinec, Véronique; Triki, Smail; Chastanet, Guillaume; Marchivie, Mathieu","Dinuclear Spin-Crossover Complexes Based on Tetradentate and Bridging Cyanocarbanion Ligands.","Inorganic chemistry","2016","55","17","9038","9046","10.1021/acs.inorgchem.6b01542","","","0.71073","MoKα","","0.1296","0.0563","","","0.0795","0.0944","","","","","","1.028","","","","has coordinates","264242","2021-04-16","08:52:18",""
"4348710","11.459","0.004","17.0862","0.001","13.7949","0.0005","90","","105.134","0.008","90","","2607.2","0.9","320","","320","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C56 H36 Fe2 N20 -","- C56 H36 Fe2 N20 -","- C112 H72 Fe4 N40 -","2","0.5","","Milin, Eric; Belaïd, Sabrina; Patinec, Véronique; Triki, Smail; Chastanet, Guillaume; Marchivie, Mathieu","Dinuclear Spin-Crossover Complexes Based on Tetradentate and Bridging Cyanocarbanion Ligands.","Inorganic chemistry","2016","55","17","9038","9046","10.1021/acs.inorgchem.6b01542","","","0.71073","MoKα","","0.136","0.0556","","","0.0782","0.0946","","","","","","1.023","","","","has coordinates","264242","2021-04-16","08:52:18",""
"4348711","11.455","0.004","17.1211","0.001","13.801","0.0005","90","","105.147","0.008","90","","2612.6","0.9","325","","325","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C56 H36 Fe2 N20 -","- C56 H36 Fe2 N20 -","- C112 H72 Fe4 N40 -","2","0.5","","Milin, Eric; Belaïd, Sabrina; Patinec, Véronique; Triki, Smail; Chastanet, Guillaume; Marchivie, Mathieu","Dinuclear Spin-Crossover Complexes Based on Tetradentate and Bridging Cyanocarbanion Ligands.","Inorganic chemistry","2016","55","17","9038","9046","10.1021/acs.inorgchem.6b01542","","","0.71073","MoKα","","0.1404","0.0585","","","0.0811","0.0979","","","","","","1.019","","","","has coordinates","264242","2021-04-16","08:52:18",""
"4348712","11.441","0.004","17.1522","0.001","13.8033","0.0005","90","","105.148","0.008","90","","2614.6","0.9","330","","330","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C56 H36 Fe2 N20 -","- C56 H36 Fe2 N20 -","- C112 H72 Fe4 N40 -","2","0.5","","Milin, Eric; Belaïd, Sabrina; Patinec, Véronique; Triki, Smail; Chastanet, Guillaume; Marchivie, Mathieu","Dinuclear Spin-Crossover Complexes Based on Tetradentate and Bridging Cyanocarbanion Ligands.","Inorganic chemistry","2016","55","17","9038","9046","10.1021/acs.inorgchem.6b01542","","","0.71073","MoKα","","0.1595","0.0623","","","0.0781","0.0956","","","","","","1.005","","","","has coordinates","264242","2021-04-16","08:52:18",""
"4348713","11.432","0.004","17.21","0.001","13.8091","0.0005","90","","105.174","0.008","90","","2622.1","0.9","335","","335","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C56 H36 Fe2 N20 -","- C56 H36 Fe2 N20 -","- C112 H72 Fe4 N40 -","2","0.5","","Milin, Eric; Belaïd, Sabrina; Patinec, Véronique; Triki, Smail; Chastanet, Guillaume; Marchivie, Mathieu","Dinuclear Spin-Crossover Complexes Based on Tetradentate and Bridging Cyanocarbanion Ligands.","Inorganic chemistry","2016","55","17","9038","9046","10.1021/acs.inorgchem.6b01542","","","0.71073","MoKα","","0.1664","0.062","","","0.0844","0.1052","","","","","","1.018","","","","has coordinates","264242","2021-04-16","08:52:18",""
"4348714","11.417","0.004","17.2685","0.001","13.8166","0.0005","90","","105.189","0.008","90","","2628.8","0.9","340","","340","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C56 H36 Fe2 N20 -","- C56 H36 Fe2 N20 -","- C112 H72 Fe4 N40 -","2","0.5","","Milin, Eric; Belaïd, Sabrina; Patinec, Véronique; Triki, Smail; Chastanet, Guillaume; Marchivie, Mathieu","Dinuclear Spin-Crossover Complexes Based on Tetradentate and Bridging Cyanocarbanion Ligands.","Inorganic chemistry","2016","55","17","9038","9046","10.1021/acs.inorgchem.6b01542","","","0.71073","MoKα","","0.1746","0.0636","","","0.0835","0.1055","","","","","","1.009","","","","has coordinates","264242","2021-04-16","08:52:18",""
"4348715","11.391","0.004","17.351","0.001","13.818","0.0005","90","","105.264","0.008","90","","2634.7","0.9","345","","345","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C56 H36 Fe2 N20 -","- C56 H36 Fe2 N20 -","- C112 H72 Fe4 N40 -","2","0.5","","Milin, Eric; Belaïd, Sabrina; Patinec, Véronique; Triki, Smail; Chastanet, Guillaume; Marchivie, Mathieu","Dinuclear Spin-Crossover Complexes Based on Tetradentate and Bridging Cyanocarbanion Ligands.","Inorganic chemistry","2016","55","17","9038","9046","10.1021/acs.inorgchem.6b01542","","","0.71073","MoKα","","0.1798","0.0678","","","0.0957","0.1192","","","","","","1.013","","","","has coordinates","264242","2021-04-16","08:52:18",""
"4348716","11.352","0.004","17.4721","0.001","13.82","0.0005","90","","105.35","0.008","90","","2643.3","1","350","","350","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C56 H36 Fe2 N20 -","- C56 H36 Fe2 N20 -","- C112 H72 Fe4 N40 -","2","0.5","","Milin, Eric; Belaïd, Sabrina; Patinec, Véronique; Triki, Smail; Chastanet, Guillaume; Marchivie, Mathieu","Dinuclear Spin-Crossover Complexes Based on Tetradentate and Bridging Cyanocarbanion Ligands.","Inorganic chemistry","2016","55","17","9038","9046","10.1021/acs.inorgchem.6b01542","","","0.71073","MoKα","","0.1848","0.0658","","","0.1022","0.129","","","","","","1","","","","has coordinates","264242","2021-04-16","08:52:18",""
"4348717","11.269","0.004","17.6897","0.001","13.8184","0.0005","90","","105.594","0.008","90","","2653.2","1","355","","355","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C56 H36 Fe2 N20 -","- C56 H36 Fe2 N20 -","- C112 H72 Fe4 N40 -","2","0.5","","Milin, Eric; Belaïd, Sabrina; Patinec, Véronique; Triki, Smail; Chastanet, Guillaume; Marchivie, Mathieu","Dinuclear Spin-Crossover Complexes Based on Tetradentate and Bridging Cyanocarbanion Ligands.","Inorganic chemistry","2016","55","17","9038","9046","10.1021/acs.inorgchem.6b01542","","","0.71073","MoKα","","0.2195","0.0709","","","0.1131","0.1496","","","","","","0.993","","","","has coordinates","264242","2021-04-16","08:52:18",""
"4348718","11.088","0.004","18.1975","0.001","13.8106","0.0005","90","","106.036","0.008","90","","2678.2","1","360","","360","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C56 H36 Fe2 N20 -","- C56 H36 Fe2 N20 -","- C112 H72 Fe4 N40 -","2","0.5","","Milin, Eric; Belaïd, Sabrina; Patinec, Véronique; Triki, Smail; Chastanet, Guillaume; Marchivie, Mathieu","Dinuclear Spin-Crossover Complexes Based on Tetradentate and Bridging Cyanocarbanion Ligands.","Inorganic chemistry","2016","55","17","9038","9046","10.1021/acs.inorgchem.6b01542","","","0.71073","MoKα","","0.2662","0.0899","","","0.1539","0.2079","","","","","","0.999","","","","has coordinates","264242","2021-04-16","08:52:18",""
"4348719","10.971","0.004","18.5225","0.001","13.7943","0.0005","90","","106.271","0.008","90","","2690.9","1","365","","365","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C56 H36 Fe2 N20 -","- C56 H36 Fe2 N20 -","- C112 H72 Fe4 N40 -","2","0.5","","Milin, Eric; Belaïd, Sabrina; Patinec, Véronique; Triki, Smail; Chastanet, Guillaume; Marchivie, Mathieu","Dinuclear Spin-Crossover Complexes Based on Tetradentate and Bridging Cyanocarbanion Ligands.","Inorganic chemistry","2016","55","17","9038","9046","10.1021/acs.inorgchem.6b01542","","","0.71073","MoKα","","0.2405","0.0791","","","0.1272","0.1709","","","","","","1.006","","","","has coordinates","264242","2021-04-16","08:52:18",""
"4348720","10.932","0.004","18.6374","0.001","13.7875","0.0005","90","","106.37","0.008","90","","2695.2","1","370","","370","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C56 H36 Fe2 N20 -","- C56 H36 Fe2 N20 -","- C112 H72 Fe4 N40 -","2","0.5","","Milin, Eric; Belaïd, Sabrina; Patinec, Véronique; Triki, Smail; Chastanet, Guillaume; Marchivie, Mathieu","Dinuclear Spin-Crossover Complexes Based on Tetradentate and Bridging Cyanocarbanion Ligands.","Inorganic chemistry","2016","55","17","9038","9046","10.1021/acs.inorgchem.6b01542","","","0.71073","MoKα","","0.2354","0.079","","","0.1353","0.181","","","","","","0.989","","","","has coordinates","264242","2021-04-16","08:52:18",""
"4348721","10.908","0.004","18.7029","0.001","13.781","0.0005","90","","106.433","0.008","90","","2696.6","1","375","","375","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C56 H36 Fe2 N20 -","- C56 H36 Fe2 N20 -","- C112 H72 Fe4 N40 -","2","0.5","","Milin, Eric; Belaïd, Sabrina; Patinec, Véronique; Triki, Smail; Chastanet, Guillaume; Marchivie, Mathieu","Dinuclear Spin-Crossover Complexes Based on Tetradentate and Bridging Cyanocarbanion Ligands.","Inorganic chemistry","2016","55","17","9038","9046","10.1021/acs.inorgchem.6b01542","","","0.71073","MoKα","","0.244","0.0773","","","0.1391","0.1869","","","","","","1.002","","","","has coordinates","264242","2021-04-16","08:52:18",""
"4348722","10.894","0.004","18.7523","0.0009","13.775","0.0006","90","","106.492","0.009","90","","2698.3","1","380","","380","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C56 H36 Fe2 N20 -","- C56 H36 Fe2 N20 -","- C112 H72 Fe4 N40 -","2","0.5","","Milin, Eric; Belaïd, Sabrina; Patinec, Véronique; Triki, Smail; Chastanet, Guillaume; Marchivie, Mathieu","Dinuclear Spin-Crossover Complexes Based on Tetradentate and Bridging Cyanocarbanion Ligands.","Inorganic chemistry","2016","55","17","9038","9046","10.1021/acs.inorgchem.6b01542","","","0.71073","MoKα","","0.2403","0.0768","","","0.1121","0.1485","","","","","","0.998","","","","has coordinates","233291","2020-10-21","18:00:00",""
"4348723","9.669","0.001","24.658","0.002","11.567","0.001","90","","102.631","0.006","90","","2691","0.4","100.15","","100.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C60 H48 Fe2 N20 O2 -","- C60 H48 Fe2 N20 O2 -","- C120 H96 Fe4 N40 O4 -","2","0.5","","Milin, Eric; Belaïd, Sabrina; Patinec, Véronique; Triki, Smail; Chastanet, Guillaume; Marchivie, Mathieu","Dinuclear Spin-Crossover Complexes Based on Tetradentate and Bridging Cyanocarbanion Ligands.","Inorganic chemistry","2016","55","17","9038","9046","10.1021/acs.inorgchem.6b01542","","x-ray","0.71073","MoKα","","0.0886","0.0582","","","0.1231","0.14","","","","","","1.027","","","","has coordinates","233291","2020-10-21","18:00:00",""
"4348724","9.6831","0.0012","25.065","0.003","12.0485","0.0016","90","","103.711","0.014","90","","2840.9","0.6","296.15","","296.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C60 H48 Fe2 N20 O2 -","- C60 H48 Fe2 N20 O2 -","- C120 H96 Fe4 N40 O4 -","2","0.5","","Milin, Eric; Belaïd, Sabrina; Patinec, Véronique; Triki, Smail; Chastanet, Guillaume; Marchivie, Mathieu","Dinuclear Spin-Crossover Complexes Based on Tetradentate and Bridging Cyanocarbanion Ligands.","Inorganic chemistry","2016","55","17","9038","9046","10.1021/acs.inorgchem.6b01542","","x-ray","0.71073","MoKα","","0.1575","0.071","","","0.0989","0.127","","","","","","0.959","","","","has coordinates","233291","2020-10-21","18:00:00",""
"4348725","11.64","0.0007","14.8686","0.0008","25.7249","0.0016","90","","90","","90","","4452.2","0.5","120","","120","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C42 H69 N3 P3 Ti -","- C42 H69 N3 P3 Ti -","- C168 H276 N12 P12 Ti4 -","4","1","","Wu, Bing; Wilding, Matthew J. T.; Kuppuswamy, Subramaniam; Bezpalko, Mark W.; Foxman, Bruce M.; Thomas, Christine M.","Exploring Trends in Metal-Metal Bonding, Spectroscopic Properties, and Conformational Flexibility in a Series of Heterobimetallic Ti/M and V/M Complexes (M = Fe, Co, Ni, and Cu).","Inorganic chemistry","2016","55","23","12137","12148","10.1021/acs.inorgchem.6b01543","","","0.71073","MoKα","","0.0426","0.0361","","0.0871","0.0846","0.0871","","","","","","0.975","","","","has coordinates","233294","2020-10-21","18:00:00",""
"4348726","38.397","0.003","15.7163","0.0014","15.2617","0.0014","90","","90","","90","","9209.8","1.4","120","","120","","","","","","","","","7","P b c n","-P 2n 2ab","60","","","","- C42 H69 Br Fe N3 P3 Ti -","- C42 H69 Br Fe N3 P3 Ti -","- C336 H552 Br8 Fe8 N24 P24 Ti8 -","8","1","","Wu, Bing; Wilding, Matthew J. T.; Kuppuswamy, Subramaniam; Bezpalko, Mark W.; Foxman, Bruce M.; Thomas, Christine M.","Exploring Trends in Metal-Metal Bonding, Spectroscopic Properties, and Conformational Flexibility in a Series of Heterobimetallic Ti/M and V/M Complexes (M = Fe, Co, Ni, and Cu).","Inorganic chemistry","2016","55","23","12137","12148","10.1021/acs.inorgchem.6b01543","","","0.71073","MoKα","","0.0535","0.0349","","0.0707","0.0664","0.0707","","","","","","0.9593","","","","has coordinates","233294","2020-10-21","18:00:00",""
"4348727","16.8903","0.0011","16.9247","0.001","19.5421","0.0012","91.954","0.003","101.682","0.003","119.25","0.003","4714.9","0.5","120","","120","","","","","","","","","8","P -1","-P 1","2","","","","- C43 H71.5 Cl N3 Ni O0.25 P3 Ti -","- C43 H71.5 Cl N3 Ni O0.25 P3 Ti -","- C172 H286 Cl4 N12 Ni4 O P12 Ti4 -","4","2","","Wu, Bing; Wilding, Matthew J. T.; Kuppuswamy, Subramaniam; Bezpalko, Mark W.; Foxman, Bruce M.; Thomas, Christine M.","Exploring Trends in Metal-Metal Bonding, Spectroscopic Properties, and Conformational Flexibility in a Series of Heterobimetallic Ti/M and V/M Complexes (M = Fe, Co, Ni, and Cu).","Inorganic chemistry","2016","55","23","12137","12148","10.1021/acs.inorgchem.6b01543","","","0.71073","MoKα","","0.073","0.0576","","0.1769","0.1667","0.1769","","","","","","0.9658","","","","has coordinates,has disorder","233294","2020-10-21","18:00:00",""
"4348728","12.711","0.0004","22.479","0.0007","17.3934","0.0005","90","","99.6653","0.0015","90","","4899.3","0.3","200","","200","","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C46 H77 Cl N3 Ni O P3 Ti -","- C46 H77 Cl N3 Ni O P3 Ti -","- C184 H308 Cl4 N12 Ni4 O4 P12 Ti4 -","4","1","","Wu, Bing; Wilding, Matthew J. T.; Kuppuswamy, Subramaniam; Bezpalko, Mark W.; Foxman, Bruce M.; Thomas, Christine M.","Exploring Trends in Metal-Metal Bonding, Spectroscopic Properties, and Conformational Flexibility in a Series of Heterobimetallic Ti/M and V/M Complexes (M = Fe, Co, Ni, and Cu).","Inorganic chemistry","2016","55","23","12137","12148","10.1021/acs.inorgchem.6b01543","","","0.71073","MoKα","","0.039","0.0341","","0.0885","0.0839","0.0885","","","","","","1.0263","","","","has coordinates,has disorder","233294","2020-10-21","18:00:00",""
"4348729","13.491","0.0005","11.0224","0.0004","16.4169","0.0006","90","","103.855","0.0017","90","","2370.21","0.15","120","","120","","","","","","","","","8","P 1 n 1","P -2yac","7","","","","- C42 H69 Cl Cu I N3 P3 Ti -","- C42 H69 Cl Cu I N3 P3 Ti -","- C84 H138 Cl2 Cu2 I2 N6 P6 Ti2 -","2","1","","Wu, Bing; Wilding, Matthew J. T.; Kuppuswamy, Subramaniam; Bezpalko, Mark W.; Foxman, Bruce M.; Thomas, Christine M.","Exploring Trends in Metal-Metal Bonding, Spectroscopic Properties, and Conformational Flexibility in a Series of Heterobimetallic Ti/M and V/M Complexes (M = Fe, Co, Ni, and Cu).","Inorganic chemistry","2016","55","23","12137","12148","10.1021/acs.inorgchem.6b01543","","","0.71073","MoKα","","0.0281","0.0251","","0.057","0.0552","0.057","","","","","","0.9958","","","","has coordinates","233294","2020-10-21","18:00:00",""
"4348730","12.9098","0.0005","13.4144","0.0005","14.7491","0.0006","78.727","0.002","77.492","0.002","71.837","0.002","2346.68","0.16","120","","120","","","","","","","","","5","P -1","-P 1","2","","","","- C42 H69 N3 P3 V -","- C42 H69 N3 P3 V -","- C84 H138 N6 P6 V2 -","2","1","","Wu, Bing; Wilding, Matthew J. T.; Kuppuswamy, Subramaniam; Bezpalko, Mark W.; Foxman, Bruce M.; Thomas, Christine M.","Exploring Trends in Metal-Metal Bonding, Spectroscopic Properties, and Conformational Flexibility in a Series of Heterobimetallic Ti/M and V/M Complexes (M = Fe, Co, Ni, and Cu).","Inorganic chemistry","2016","55","23","12137","12148","10.1021/acs.inorgchem.6b01543","","","0.71073","MoKα","","0.0518","0.036","","0.0959","0.0836","0.0959","","","","","","1.0081","","","","has coordinates","233294","2020-10-21","18:00:00",""
"4348731","15.3754","0.0007","38.6991","0.0018","15.8446","0.0007","90","","90.041","0.002","90","","9427.8","0.7","120","","120","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C42 H69 Fe I N3 P3 V -","- C42 H69 Fe I N3 P3 V -","- C336 H552 Fe8 I8 N24 P24 V8 -","8","2","","Wu, Bing; Wilding, Matthew J. T.; Kuppuswamy, Subramaniam; Bezpalko, Mark W.; Foxman, Bruce M.; Thomas, Christine M.","Exploring Trends in Metal-Metal Bonding, Spectroscopic Properties, and Conformational Flexibility in a Series of Heterobimetallic Ti/M and V/M Complexes (M = Fe, Co, Ni, and Cu).","Inorganic chemistry","2016","55","23","12137","12148","10.1021/acs.inorgchem.6b01543","","","0.71073","MoKα","","0.0483","0.0375","","0.0888","0.081","0.0888","","","","","","0.9939","","","","has coordinates,has disorder","233294","2020-10-21","18:00:00",""
"4348732","12.4894","0.0006","20.4356","0.001","19.512","0.0009","90","","92.771","0.002","90","","4974.2","0.4","120","","120","","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C46 H77 Co I N3 O P3 V -","- C46 H77 Co I N3 O P3 V -","- C184 H308 Co4 I4 N12 O4 P12 V4 -","4","1","","Wu, Bing; Wilding, Matthew J. T.; Kuppuswamy, Subramaniam; Bezpalko, Mark W.; Foxman, Bruce M.; Thomas, Christine M.","Exploring Trends in Metal-Metal Bonding, Spectroscopic Properties, and Conformational Flexibility in a Series of Heterobimetallic Ti/M and V/M Complexes (M = Fe, Co, Ni, and Cu).","Inorganic chemistry","2016","55","23","12137","12148","10.1021/acs.inorgchem.6b01543","","","0.71073","MoKα","","0.0346","0.0252","","0.0615","0.0568","0.0615","","","","","","0.9801","","","","has coordinates","233294","2020-10-21","18:00:00",""
"4348733","15.7971","0.0006","14.374","0.0006","40.4208","0.0017","90","","90","","90","","9178.3","0.6","120","","120","","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C42 H69 I N3 Ni P3 V -","- C42 H69 I N3 Ni P3 V -","- C336 H552 I8 N24 Ni8 P24 V8 -","8","1","","Wu, Bing; Wilding, Matthew J. T.; Kuppuswamy, Subramaniam; Bezpalko, Mark W.; Foxman, Bruce M.; Thomas, Christine M.","Exploring Trends in Metal-Metal Bonding, Spectroscopic Properties, and Conformational Flexibility in a Series of Heterobimetallic Ti/M and V/M Complexes (M = Fe, Co, Ni, and Cu).","Inorganic chemistry","2016","55","23","12137","12148","10.1021/acs.inorgchem.6b01543","","","0.71073","MoKα","","0.0755","0.0473","","0.1244","0.1093","0.1244","","","","","","1.0464","","","","has coordinates","233294","2020-10-21","18:00:00",""
"4348734","11.7987","0.0003","42.8341","0.0012","20.1806","0.0005","90","","90","","90","","10199","0.5","120","","120","","","","","","","","","8","P b c m","-P 2c 2b","57","","","","- C46 H79 Cu I N3 O P3 V -","- C46 H79 Cu I N3 O P3 V -","- C368 H632 Cu8 I8 N24 O8 P24 V8 -","8","1","","Wu, Bing; Wilding, Matthew J. T.; Kuppuswamy, Subramaniam; Bezpalko, Mark W.; Foxman, Bruce M.; Thomas, Christine M.","Exploring Trends in Metal-Metal Bonding, Spectroscopic Properties, and Conformational Flexibility in a Series of Heterobimetallic Ti/M and V/M Complexes (M = Fe, Co, Ni, and Cu).","Inorganic chemistry","2016","55","23","12137","12148","10.1021/acs.inorgchem.6b01543","","","0.71073","MoKα","","0.0608","0.0424","","0.1188","0.0934","0.1188","","","","","","1","","","","has coordinates,has disorder","233294","2020-10-21","18:00:00",""
"4348735","10.7563","0.0008","10.9109","0.0008","19.8578","0.0014","89.158","0.001","78.882","0.002","60.515","0.001","1981.8","0.3","291","2","291","2","","","","","","","","6","P -1","-P 1","2","","","","- C38 H36 Co N4 O12 P2 -","- C38 H36 Co N4 O12 P2 -","- C76 H72 Co2 N8 O24 P4 -","2","1","","Chen, Lei; Cui, Hui-Hui; Stavretis, Shelby E.; Hunter, Seth C.; Zhang, Yi-Quan; Chen, Xue-Tai; Sun, Yi-Chen; Wang, Zhenxing; Song, You; Podlesnyak, Andrey A.; Ouyang, Zhong-Wen; Xue, Zi-Ling","Slow Magnetic Relaxations in Cobalt(II) Tetranitrate Complexes. Studies of Magnetic Anisotropy by Inelastic Neutron Scattering and High-Frequency and High-Field EPR Spectroscopy.","Inorganic chemistry","2016","55","24","12603","12617","10.1021/acs.inorgchem.6b01544","","","0.71073","MoKα","","0.064","0.0563","","","0.1427","0.1438","","","","","","1.088","","","","has coordinates","233297","2020-10-21","18:00:00",""
"4348736","23.327","0.003","11.2821","0.0015","18.512","0.003","90","","107.022","0.002","90","","4658.5","1.1","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C48 H40 As2 Co N4 O12 -","- C48 H40 As2 Co N4 O12 -","- C192 H160 As8 Co4 N16 O48 -","4","0.5","","Chen, Lei; Cui, Hui-Hui; Stavretis, Shelby E.; Hunter, Seth C.; Zhang, Yi-Quan; Chen, Xue-Tai; Sun, Yi-Chen; Wang, Zhenxing; Song, You; Podlesnyak, Andrey A.; Ouyang, Zhong-Wen; Xue, Zi-Ling","Slow Magnetic Relaxations in Cobalt(II) Tetranitrate Complexes. Studies of Magnetic Anisotropy by Inelastic Neutron Scattering and High-Frequency and High-Field EPR Spectroscopy.","Inorganic chemistry","2016","55","24","12603","12617","10.1021/acs.inorgchem.6b01544","","","0.71073","MoKα","","0.0448","0.0303","","","0.0716","0.077","","","","","","1.024","","","","has coordinates,has disorder","233298","2020-10-21","18:00:00",""
"4348737","11.315","0.002","11.695","0.002","19.863","0.004","101.464","0.003","92.375","0.003","104.764","0.003","2479.2","0.8","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C49 H42 Cl2 Co N4 O12 P2 -","- C49 H42 Cl2 Co N4 O12 P2 -","- C98 H84 Cl4 Co2 N8 O24 P4 -","2","1","","Chen, Lei; Cui, Hui-Hui; Stavretis, Shelby E.; Hunter, Seth C.; Zhang, Yi-Quan; Chen, Xue-Tai; Sun, Yi-Chen; Wang, Zhenxing; Song, You; Podlesnyak, Andrey A.; Ouyang, Zhong-Wen; Xue, Zi-Ling","Slow Magnetic Relaxations in Cobalt(II) Tetranitrate Complexes. Studies of Magnetic Anisotropy by Inelastic Neutron Scattering and High-Frequency and High-Field EPR Spectroscopy.","Inorganic chemistry","2016","55","24","12603","12617","10.1021/acs.inorgchem.6b01544","","","0.71073","MoKα","","0.1002","0.064","","","0.1814","0.2065","","","","","","1.055","","","","has coordinates","233300","2020-10-21","18:00:00",""
"4348738","7.7946","0.0016","14.623","0.003","14.101","0.004","90","","118.91","0.02","90","","1406.9","0.6","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C5 H16 Cl5 N2 Sb -","- C5 H16 Cl5 N2 Sb -","- C20 H64 Cl20 N8 Sb4 -","4","1","","Zhao, Wen-Ping; Shi, Chao; Stroppa, Alessandro; Di Sante, Domenico; Cimpoesu, Fanica; Zhang, Wen","Lone-Pair-Electron-Driven Ionic Displacements in a Ferroelectric Metal-Organic Hybrid.","Inorganic chemistry","2016","55","20","10337","10342","10.1021/acs.inorgchem.6b01545","","","0.71073","MoKα","","0.036","0.0298","","","0.0668","0.0694","","","","","","1.043","","","","has coordinates","233301","2020-10-21","18:00:00",""
"4348739","7.6816","0.0007","14.5454","0.0018","13.974","0.002","90","","118.317","0.013","90","","1374.5","0.3","113","2","113","2","","","","","","","","5","P 1 c 1","P -2yc","7","","","","- C5 H16 Cl5 N2 Sb -","- C5 H16 Cl5 N2 Sb -","- C20 H64 Cl20 N8 Sb4 -","4","2","","Zhao, Wen-Ping; Shi, Chao; Stroppa, Alessandro; Di Sante, Domenico; Cimpoesu, Fanica; Zhang, Wen","Lone-Pair-Electron-Driven Ionic Displacements in a Ferroelectric Metal-Organic Hybrid.","Inorganic chemistry","2016","55","20","10337","10342","10.1021/acs.inorgchem.6b01545","","","0.71073","MoKα","","0.0189","0.0177","","","0.0367","0.0371","","","","","","1.038","","","","has coordinates","233301","2020-10-21","18:00:00",""
"4348740","11.4662","0.0007","11.9726","0.0009","12.7065","0.0012","96.465","0.002","94.107","0.002","106.092","0.002","1655.7","0.2","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C39 H31 Cl4 Ir N2 P2 -","- C38 H30 Cl Ir N2 P2 -","- C76 H60 Cl2 Ir2 N4 P4 -","2","1","","Zumeta, Itziar; Mendicute-Fierro, Claudio; Bustos, Itxaso; Huertos, Miguel A.; Rodríguez-Diéguez, Antonio; Seco, José M; San Sebastian, Eider; Garralda, María A","Irida-β-ketoimines Derived from Hydrazines To Afford Metallapyrazoles or N-N Bond Cleavage: A Missing Metallacycle Disclosed by a Theoretical and Experimental Study.","Inorganic chemistry","2016","55","20","10284","10293","10.1021/acs.inorgchem.6b01550","","","0.71069","MoKα","","0.0324","0.0294","","","0.0658","0.0673","","","","","","1.092","","","","has coordinates","233304","2020-10-21","18:00:00",""
"4348741","39.188","0.003","39.188","0.003","12.8242","0.0011","90","","90","","90","","19694","3","100","2","100","2","","","","","","","","7","I 41/a :2","-I 4ad","88","","","","- C43 H38 Cl10 Ir N O2 P2 -","- C42 H37 Cl7 Ir N O2 P2 -","- C672 H592 Cl112 Ir16 N16 O32 P32 -","16","1","","Zumeta, Itziar; Mendicute-Fierro, Claudio; Bustos, Itxaso; Huertos, Miguel A.; Rodríguez-Diéguez, Antonio; Seco, José M; San Sebastian, Eider; Garralda, María A","Irida-β-ketoimines Derived from Hydrazines To Afford Metallapyrazoles or N-N Bond Cleavage: A Missing Metallacycle Disclosed by a Theoretical and Experimental Study.","Inorganic chemistry","2016","55","20","10284","10293","10.1021/acs.inorgchem.6b01550","","","0.71073","MoKα","","0.0448","0.0355","","","0.0786","0.082","","","","","","1.054","","","","has coordinates","233304","2020-10-21","18:00:00",""
"4348742","10.8051","0.0011","21.6788","0.0008","15.6334","0.0017","90","","94.811","0.003","90","","3649.1","0.6","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C40 H38 Cl Ir N2 O3 P2 -","- C40 H38 Cl Ir N2 O3 P2 -","- C160 H152 Cl4 Ir4 N8 O12 P8 -","4","1","","Zumeta, Itziar; Mendicute-Fierro, Claudio; Bustos, Itxaso; Huertos, Miguel A.; Rodríguez-Diéguez, Antonio; Seco, José M; San Sebastian, Eider; Garralda, María A","Irida-β-ketoimines Derived from Hydrazines To Afford Metallapyrazoles or N-N Bond Cleavage: A Missing Metallacycle Disclosed by a Theoretical and Experimental Study.","Inorganic chemistry","2016","55","20","10284","10293","10.1021/acs.inorgchem.6b01550","","","0.71069","MoKα","","0.0363","0.0233","","","0.0394","0.0424","","","","","","1.038","","","","has coordinates","233304","2020-10-21","18:00:00",""
"4348743","21.5351","0.0009","10.0219","0.0014","19.4773","0.0018","90","","116.886","0.005","90","","3749.3","0.7","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C44 H35 Cl Ir N3 O P2 -","- C44 H35 Cl Ir N3 O P2 -","- C176 H140 Cl4 Ir4 N12 O4 P8 -","4","1","","Zumeta, Itziar; Mendicute-Fierro, Claudio; Bustos, Itxaso; Huertos, Miguel A.; Rodríguez-Diéguez, Antonio; Seco, José M; San Sebastian, Eider; Garralda, María A","Irida-β-ketoimines Derived from Hydrazines To Afford Metallapyrazoles or N-N Bond Cleavage: A Missing Metallacycle Disclosed by a Theoretical and Experimental Study.","Inorganic chemistry","2016","55","20","10284","10293","10.1021/acs.inorgchem.6b01550","","","0.71069","MoKα","","0.0547","0.0335","","","0.0685","0.0737","","","","","","0.994","","","","has coordinates","233304","2020-10-21","18:00:00",""
"4348744","12.076","0.005","12.451","0.005","14.47","0.006","110.139","0.001","101.778","0.004","108.014","0.003","1821.2","1.3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C54 H88 N6 O22 P2 Ti6 -","- C54 H86 N6 O22 P2 Ti6 -","- C54 H86 N6 O22 P2 Ti6 -","1","0.5","","Narayanam, Nagaraju; Chintakrinda, Kalpana; Fang, Wei-Hui; Kang, Yao; Zhang, Lei; Zhang, Jian","Azole Functionalized Polyoxo-Titanium Clusters with Sunlight-Driven Dye Degradation Applications: Synthesis, Structure, and Photocatalytic Studies.","Inorganic chemistry","2016","55","20","10294","10301","10.1021/acs.inorgchem.6b01551","","","0.71073","MoKα","","0.0463","0.0393","","","0.1189","0.1251","","","","","","0.987","","","","has coordinates","233307","2020-10-21","18:00:00",""
"4348745","12.3628","0.0005","14.8542","0.0007","15.0699","0.0005","75.532","0.003","67.953","0.003","89.308","0.004","2473.41","0.19","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C70 H126 N12 O32 P2 Ti8 -","- C70 H126 N12 O32 P2 Ti8 -","- C70 H126 N12 O32 P2 Ti8 -","1","0.5","","Narayanam, Nagaraju; Chintakrinda, Kalpana; Fang, Wei-Hui; Kang, Yao; Zhang, Lei; Zhang, Jian","Azole Functionalized Polyoxo-Titanium Clusters with Sunlight-Driven Dye Degradation Applications: Synthesis, Structure, and Photocatalytic Studies.","Inorganic chemistry","2016","55","20","10294","10301","10.1021/acs.inorgchem.6b01551","","","1.54178","CuKα","","0.0544","0.0429","","","0.1089","0.1157","","","","","","1.042","","","","has coordinates","233307","2020-10-21","18:00:00",""
"4348746","13.586","0.004","17.829","0.005","26.339","0.007","90","","105.938","0.013","90","","6135","3","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C48 H65 N2 O17 P3 Ti4 -","- C51 H57 N2 O18 P3 Ti4 -","- C204 H228 N8 O72 P12 Ti16 -","4","1","","Narayanam, Nagaraju; Chintakrinda, Kalpana; Fang, Wei-Hui; Kang, Yao; Zhang, Lei; Zhang, Jian","Azole Functionalized Polyoxo-Titanium Clusters with Sunlight-Driven Dye Degradation Applications: Synthesis, Structure, and Photocatalytic Studies.","Inorganic chemistry","2016","55","20","10294","10301","10.1021/acs.inorgchem.6b01551","","","0.71073","MoKα","","0.1005","0.0776","","","0.2064","0.2223","","","","","","1.114","","","","has coordinates","233307","2020-10-21","18:00:00",""
"4348747","11.9192","0.0008","13.4768","0.0009","36.952","0.002","90","","91.671","0.005","90","","5933.2","0.6","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C45 H75 N2 O18 P3 Ti4 -","- C45 H70 N2 O18 P3 Ti4 -","- C180 H280 N8 O72 P12 Ti16 -","4","1","","Narayanam, Nagaraju; Chintakrinda, Kalpana; Fang, Wei-Hui; Kang, Yao; Zhang, Lei; Zhang, Jian","Azole Functionalized Polyoxo-Titanium Clusters with Sunlight-Driven Dye Degradation Applications: Synthesis, Structure, and Photocatalytic Studies.","Inorganic chemistry","2016","55","20","10294","10301","10.1021/acs.inorgchem.6b01551","","","0.71073","MoKα","","0.0812","0.0609","","","0.16","0.1747","","","","","","1.093","","","","has coordinates,has disorder","233307","2020-10-21","18:00:00",""
"4348748","13.062","0.002","20.295","0.003","21.355","0.004","87.302","0.003","87.634","0.003","87.256","0.004","5644","1.6","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C84 H136 Co N4 O34 P6 Ti7 -","- C84 H126 Co N4 O34 P6 Ti7 -","- C168 H252 Co2 N8 O68 P12 Ti14 -","2","1","","Narayanam, Nagaraju; Chintakrinda, Kalpana; Fang, Wei-Hui; Kang, Yao; Zhang, Lei; Zhang, Jian","Azole Functionalized Polyoxo-Titanium Clusters with Sunlight-Driven Dye Degradation Applications: Synthesis, Structure, and Photocatalytic Studies.","Inorganic chemistry","2016","55","20","10294","10301","10.1021/acs.inorgchem.6b01551","","","0.71073","MoKα","","0.0982","0.0752","","","0.2075","0.2287","","","","","","1.043","","","","has coordinates","233307","2020-10-21","18:00:00",""
"4348749","13.066","0.003","20.303","0.004","21.364","0.004","87.341","0.005","87.518","0.004","87.198","0.004","5650","2","293","2","293","2","","","","","","","","8","P -1","-P 1","2","","","","- C84 H136 I0 N4 O34 P6 Ti7 Zn -","- C84 H113 N4 O34 P6 Ti7 Zn -","- C168 H226 N8 O68 P12 Ti14 Zn2 -","2","1","","Narayanam, Nagaraju; Chintakrinda, Kalpana; Fang, Wei-Hui; Kang, Yao; Zhang, Lei; Zhang, Jian","Azole Functionalized Polyoxo-Titanium Clusters with Sunlight-Driven Dye Degradation Applications: Synthesis, Structure, and Photocatalytic Studies.","Inorganic chemistry","2016","55","20","10294","10301","10.1021/acs.inorgchem.6b01551","","","0.71073","MoKα","","0.1777","0.1359","","","0.3385","0.3651","","","","","","0.97","","","","has coordinates","233307","2020-10-21","18:00:00",""
"4348750","4.8597","0.0009","5.7697","0.0011","27.733","0.005","89.033","0.006","87.007","0.006","84.443","0.007","772.8","0.2","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H14 I1.5 N2 S12 -","- C26 H14 I1.525 N2 S12 -","- C26 H14 I1.525 N2 S12 -","1","0.5","","Rabaça, Sandra; Oliveira, Sandrina; Santos, Isabel C.; Gama, Vasco; Belo, Dulce; Lopes, Elsa B.; Canadell, Enric; Almeida, Manuel","Polymorphism and Superconductivity in Bilayer Molecular Metals (CNB-EDT-TTF)<sub>4</sub>I<sub>3</sub>.","Inorganic chemistry","2016","55","20","10343","10350","10.1021/acs.inorgchem.6b01555","","","0.71073","MoKα","","0.1075","0.064","","","0.1303","0.1435","","","","","","1.054","","","","has coordinates","233309","2020-10-21","18:00:00",""
"4348751","5.7669","0.0002","9.7113","0.0003","27.7724","0.0007","86.793","0.002","89.079","0.001","84.558","0.002","1545.84","0.08","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H14 I1.5 N2 S12 -","- C26 H14 I1.5 N2 S12 -","- C52 H28 I3 N4 S24 -","2","1","","Rabaça, Sandra; Oliveira, Sandrina; Santos, Isabel C.; Gama, Vasco; Belo, Dulce; Lopes, Elsa B.; Canadell, Enric; Almeida, Manuel","Polymorphism and Superconductivity in Bilayer Molecular Metals (CNB-EDT-TTF)<sub>4</sub>I<sub>3</sub>.","Inorganic chemistry","2016","55","20","10343","10350","10.1021/acs.inorgchem.6b01555","","","0.71073","MoKα","","0.1265","0.0919","","","0.2293","0.2457","","","","","","1.076","","","","has coordinates","233311","2020-10-21","18:00:00",""
"4348752","13.9682","0.0003","17.3921","0.0003","18.5886","0.0004","90","","90.5139","0.0018","90","","4515.66","0.16","150","0.1","150","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C48 H68 P2 Sn -","- C48 H68 P2 Sn -","- C192 H272 P8 Sn4 -","4","1","","Izod, Keith; Evans, Peter; Waddell, Paul G.; Probert, Michael R.","Remote Substituent Effects on the Structures and Stabilities of P═E π-Stabilized Diphosphatetrylenes (R<sub>2</sub>P)<sub>2</sub>E (E = Ge, Sn).","Inorganic chemistry","2016","55","20","10510","10522","10.1021/acs.inorgchem.6b01566","","","0.71073","MoKα","","0.0707","0.0404","","","0.0625","0.069","","","","","","0.989","","","","has coordinates","233313","2020-10-21","18:00:00",""
"4348753","27.3723","0.0006","19.1347","0.0003","12.3204","0.0003","90","","90","","90","","6452.9","0.2","150.01","0.1","150.01","0.1","","","","","","","","4","P n c 2","P 2 -2bc","30","","","","- C67 H106 Ge P2 -","- C67 H106 Ge P2 -","- C268 H424 Ge4 P8 -","4","1","","Izod, Keith; Evans, Peter; Waddell, Paul G.; Probert, Michael R.","Remote Substituent Effects on the Structures and Stabilities of P═E π-Stabilized Diphosphatetrylenes (R<sub>2</sub>P)<sub>2</sub>E (E = Ge, Sn).","Inorganic chemistry","2016","55","20","10510","10522","10.1021/acs.inorgchem.6b01566","","","1.54184","CuKα","","0.0851","0.0697","","","0.1835","0.194","","","","","","1.1","","","","has coordinates","233313","2020-10-21","18:00:00",""
"4348754","10.2388","0.0003","13.9719","0.0005","21.021","0.0005","94.468","0.002","91.085","0.002","104.252","0.003","2903.5","0.16","150","0.1","150","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C60 H92 P2 Sn -","- C60 H92 P2 Sn -","- C120 H184 P4 Sn2 -","2","1","","Izod, Keith; Evans, Peter; Waddell, Paul G.; Probert, Michael R.","Remote Substituent Effects on the Structures and Stabilities of P═E π-Stabilized Diphosphatetrylenes (R<sub>2</sub>P)<sub>2</sub>E (E = Ge, Sn).","Inorganic chemistry","2016","55","20","10510","10522","10.1021/acs.inorgchem.6b01566","","","0.71073","MoKα","","0.0649","0.0428","","","0.0891","0.1007","","","","","","1.041","","","","has coordinates","233313","2020-10-21","18:00:00",""
"4348755","10.3169","0.0003","14.1318","0.0004","21.3908","0.0006","94.717","0.002","90.895","0.002","104.361","0.002","3008.92","0.15","290","0.1","290","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C60 H92 P2 Sn -","- C60 H92 P2 Sn -","- C120 H184 P4 Sn2 -","2","1","","Izod, Keith; Evans, Peter; Waddell, Paul G.; Probert, Michael R.","Remote Substituent Effects on the Structures and Stabilities of P═E π-Stabilized Diphosphatetrylenes (R<sub>2</sub>P)<sub>2</sub>E (E = Ge, Sn).","Inorganic chemistry","2016","55","20","10510","10522","10.1021/acs.inorgchem.6b01566","","","0.71073","MoKα","","0.1023","0.0534","","","0.1162","0.1359","","","","","","1.015","","","","has coordinates","233313","2020-10-21","18:00:00",""
"4348756","13.33377","0.0001","18.41362","0.00015","17.51452","0.00014","90","","99.2959","0.0008","90","","4243.74","0.06","150","0.2","150","0.2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C48 H68 P2 -","- C48 H68 P2 -","- C192 H272 P8 -","4","1","","Izod, Keith; Evans, Peter; Waddell, Paul G.; Probert, Michael R.","Remote Substituent Effects on the Structures and Stabilities of P═E π-Stabilized Diphosphatetrylenes (R<sub>2</sub>P)<sub>2</sub>E (E = Ge, Sn).","Inorganic chemistry","2016","55","20","10510","10522","10.1021/acs.inorgchem.6b01566","","x-ray","1.54184","CuKα","","0.0471","0.0378","","","0.0859","0.0909","","","","","","1.031","","","","has coordinates,has disorder","233313","2020-10-21","18:00:00",""
"4348757","35.4247","0.0012","13.9402","0.0004","9.4516","0.0003","90","","101.693","0.001","90","","4570.6","0.2","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","Ni-muc-bpaa","","","- C18 H20 N2 Ni O8 -","- C18 H20 N2 Ni O8 -","- C144 H160 N16 Ni8 O64 -","8","1","","Ugale, Bharat; Dhankhar, Sandeep Singh; Nagaraja, C. M.","Construction of 3-Fold-Interpenetrated Three-Dimensional Metal-Organic Frameworks of Nickel(II) for Highly Efficient Capture and Conversion of Carbon Dioxide.","Inorganic chemistry","2016","55","19","9757","9766","10.1021/acs.inorgchem.6b01569","","","0.71073","MoKα","","0.0783","0.0643","","","0.2209","0.2346","","","","","","1.069","","","","has coordinates","233316","2020-10-21","18:00:00",""
"4348758","37.06","0.005","13.328","0.005","9.373","0.005","90","0.005","102.153","0.005","90","0.005","4526","3","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","Ni-muc-bpee","","","- C18 H18 N2 Ni O8.5 -","- C18 H18 N2 Ni O8.5 -","- C144 H144 N16 Ni8 O68 -","8","1","","Ugale, Bharat; Dhankhar, Sandeep Singh; Nagaraja, C. M.","Construction of 3-Fold-Interpenetrated Three-Dimensional Metal-Organic Frameworks of Nickel(II) for Highly Efficient Capture and Conversion of Carbon Dioxide.","Inorganic chemistry","2016","55","19","9757","9766","10.1021/acs.inorgchem.6b01569","","","0.71073","MoKα","","0.172","0.0757","","","0.1939","0.2349","","","","","","1.052","","","","has coordinates","233316","2020-10-21","18:00:00",""
"4348759","35.0241","0.0016","13.3396","0.0006","9.1834","0.0004","90","","104.116","0.002","90","","4161","0.3","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","Ni-muc-Azopy","","","- C16 H16 N4 Ni O8 -","- C16 H16 N4 Ni O8 -","- C128 H128 N32 Ni8 O64 -","8","1","","Ugale, Bharat; Dhankhar, Sandeep Singh; Nagaraja, C. M.","Construction of 3-Fold-Interpenetrated Three-Dimensional Metal-Organic Frameworks of Nickel(II) for Highly Efficient Capture and Conversion of Carbon Dioxide.","Inorganic chemistry","2016","55","19","9757","9766","10.1021/acs.inorgchem.6b01569","","","0.71073","MoKα","","0.1027","0.0737","","","0.1882","0.2098","","","","","","1.072","","","","has coordinates","233316","2020-10-21","18:00:00",""
"4348760","15.3874","0.0003","13.2879","0.0002","22.5848","0.0004","90","","99.281","0.002","90","","4557.38","0.14","90","2","90","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C44 H39 F12 N13 P2 Ru -","- C44 H39 F12 N13 P2 Ru -","- C176 H156 F48 N52 P8 Ru4 -","4","1","","Kumar, Sreedhar V.; Scottwell, Synøve Ø; Waugh, Emily; McAdam, C. John; Hanton, Lyall R.; Brooks, Heather J. L.; Crowley, James D.","Antimicrobial Properties of Tris(homoleptic) Ruthenium(II) 2-Pyridyl-1,2,3-triazole ""Click"" Complexes against Pathogenic Bacteria, Including Methicillin-Resistant Staphylococcus aureus (MRSA).","Inorganic chemistry","2016","55","19","9767","9777","10.1021/acs.inorgchem.6b01574","","","1.54184","CuKα","","0.0872","0.0758","","","0.2061","0.22","","","","","","1.039","","","","has coordinates","233319","2020-10-21","18:00:00",""
"4348761","12.0954","0.0004","14.0009","0.0005","15.6536","0.0005","91.733","0.002","108.905","0.001","100.943","0.001","2450.24","0.14","90","2","90","2","","","","","","","","6","P -1","-P 1","2","","","","- C46 H42 F12 N14 P2 Ru -","- C46 H42 F12 N14 P2 Ru -","- C92 H84 F24 N28 P4 Ru2 -","2","1","","Kumar, Sreedhar V.; Scottwell, Synøve Ø; Waugh, Emily; McAdam, C. John; Hanton, Lyall R.; Brooks, Heather J. L.; Crowley, James D.","Antimicrobial Properties of Tris(homoleptic) Ruthenium(II) 2-Pyridyl-1,2,3-triazole ""Click"" Complexes against Pathogenic Bacteria, Including Methicillin-Resistant Staphylococcus aureus (MRSA).","Inorganic chemistry","2016","55","19","9767","9777","10.1021/acs.inorgchem.6b01574","","","0.71073","MoKα","","0.0332","0.0278","","","0.0589","0.0636","","","","","","1.06","","","","has coordinates","233319","2020-10-21","18:00:00",""
"4348762","8.7481","0.0007","13.7918","0.0013","23.603","0.002","99.326","0.004","99.588","0.004","100.262","0.003","2708.6","0.4","90","2","90","2","","","","","","","","7","P -1","-P 1","2","","","","- C49 H50 F12 N14 O P2 Ru -","- C49 H50 F12 N14 O P2 Ru -","- C98 H100 F24 N28 O2 P4 Ru2 -","2","1","","Kumar, Sreedhar V.; Scottwell, Synøve Ø; Waugh, Emily; McAdam, C. John; Hanton, Lyall R.; Brooks, Heather J. L.; Crowley, James D.","Antimicrobial Properties of Tris(homoleptic) Ruthenium(II) 2-Pyridyl-1,2,3-triazole ""Click"" Complexes against Pathogenic Bacteria, Including Methicillin-Resistant Staphylococcus aureus (MRSA).","Inorganic chemistry","2016","55","19","9767","9777","10.1021/acs.inorgchem.6b01574","","","0.71069","MoKα","","0.0609","0.0537","","","0.1389","0.1541","","","","","","1.197","","","","has coordinates","233319","2020-10-21","18:00:00",""
"4348763","13.49919","0.00012","23.01855","0.00018","14.58644","0.00011","90","","97.098","0.0008","90","","4497.73","0.06","100","10","100","10","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C42 H36 F12 N12 O P2 Ru -","- C42 H36 F12 N12 O P2 Ru -","- C168 H144 F48 N48 O4 P8 Ru4 -","4","1","","Kumar, Sreedhar V.; Scottwell, Synøve Ø; Waugh, Emily; McAdam, C. John; Hanton, Lyall R.; Brooks, Heather J. L.; Crowley, James D.","Antimicrobial Properties of Tris(homoleptic) Ruthenium(II) 2-Pyridyl-1,2,3-triazole ""Click"" Complexes against Pathogenic Bacteria, Including Methicillin-Resistant Staphylococcus aureus (MRSA).","Inorganic chemistry","2016","55","19","9767","9777","10.1021/acs.inorgchem.6b01574","","","1.54184","CuKα","","0.0429","0.0357","","","0.0915","0.0946","","","","","","1.043","","","","has coordinates","233319","2020-10-21","18:00:00",""
"4348764","11.256","0.005","24.61","0.003","17.351","0.002","90","","99.997","0.005","90","","4733","2","90","2","90","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C39 H54 F12 N12 P2 Ru -","- C39 H54 F12 N12 P2 Ru -","- C156 H216 F48 N48 P8 Ru4 -","4","1","","Kumar, Sreedhar V.; Scottwell, Synøve Ø; Waugh, Emily; McAdam, C. John; Hanton, Lyall R.; Brooks, Heather J. L.; Crowley, James D.","Antimicrobial Properties of Tris(homoleptic) Ruthenium(II) 2-Pyridyl-1,2,3-triazole ""Click"" Complexes against Pathogenic Bacteria, Including Methicillin-Resistant Staphylococcus aureus (MRSA).","Inorganic chemistry","2016","55","19","9767","9777","10.1021/acs.inorgchem.6b01574","","","1.54184","CuKα","","0.0416","0.039","","","0.1002","0.1031","","","","","","1.031","","","","has coordinates","233319","2020-10-21","18:00:00",""
"4348765","12.8045","0.0002","15.4222","0.0003","15.5885","0.0003","118","0.002","91.2428","0.0015","100.009","0.0014","2657.67","0.1","90","2","90","2","","","","","","","","7","P -1","-P 1","2","","","","- C40 H54 F18 N13 O1.5 P3 Ru -","- C40 H54 F18 N13 O1.5 P3 Ru -","- C80 H108 F36 N26 O3 P6 Ru2 -","2","1","","Kumar, Sreedhar V.; Scottwell, Synøve Ø; Waugh, Emily; McAdam, C. John; Hanton, Lyall R.; Brooks, Heather J. L.; Crowley, James D.","Antimicrobial Properties of Tris(homoleptic) Ruthenium(II) 2-Pyridyl-1,2,3-triazole ""Click"" Complexes against Pathogenic Bacteria, Including Methicillin-Resistant Staphylococcus aureus (MRSA).","Inorganic chemistry","2016","55","19","9767","9777","10.1021/acs.inorgchem.6b01574","","","0.71069","MoKα","","0.0665","0.0624","","","0.1406","0.1431","","","","","","1.068","","","","has coordinates,has disorder","233319","2020-10-21","18:00:00",""
"4348766","11.7859","0.0005","17.5279","0.0008","20.5802","0.0009","103.31","0.0006","95.3031","0.0006","105.31","0.0006","3936.9","0.3","90","0.2","90","0.2","","","","","","","","4","P -1","-P 1","2","","","","- C144 H300 Pt6 S12 -","- C144 H300 Pt6 S12 -","- C144 H300 Pt6 S12 -","1","0.5","","Shichibu, Yukatsu; Yoshida, Keisuke; Konishi, Katsuaki","Hexanuclear Platinum(II) Thiolate Macrocyclic Host: Charge-Transfer-Driven Inclusion of a Ag(I) Ion Guest.","Inorganic chemistry","2016","55","18","9147","9149","10.1021/acs.inorgchem.6b01579","","","0.71073","MoKα","","0.0421","0.0298","","","0.0731","0.0936","","","","","","1.089","","","","has coordinates","233321","2020-10-21","18:00:00",""
"4348767","15.6003","0.0012","16.6218","0.0013","31.954","0.003","92.6717","0.0011","93.2134","0.0011","95.2529","0.001","8226.9","1.2","90","0.2","90","0.2","","","","","","","","7","P -1","-P 1","2","","","","- C144 H300 Ag F6 Pt6 S12 Sb -","- C144 H300 Ag F6 Pt6 S12 Sb -","- C288 H600 Ag2 F12 Pt12 S24 Sb2 -","2","1","","Shichibu, Yukatsu; Yoshida, Keisuke; Konishi, Katsuaki","Hexanuclear Platinum(II) Thiolate Macrocyclic Host: Charge-Transfer-Driven Inclusion of a Ag(I) Ion Guest.","Inorganic chemistry","2016","55","18","9147","9149","10.1021/acs.inorgchem.6b01579","","","0.71073","MoKα","","0.1504","0.0638","","","0.1523","0.2109","","","","","","0.988","","","","has coordinates,has disorder","233321","2020-10-21","18:00:00",""
"4348768","16.0795","0.0003","9.1643","0.0002","18.0702","0.0004","90","","110.572","0.001","90","","2492.98","0.09","172","2","172","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C18 H22 Br4 N2 O2 S2 Zn2 -","- C18 H22 Br4 N2 O2 S2 Zn2 -","- C72 H88 Br16 N8 O8 S8 Zn8 -","4","1","","Seo, Sujin; Ju, Huiyeong; Kim, Seulgi; Park, In-Hyeok; Lee, Eunji; Lee, Shim Sung","Group 12 Metal Complexes of an 18-Membered N<sub>2</sub>O<sub>2</sub>S<sub>2</sub> Macrocycle Incorporating Two Pyridines: First Examples of an Infinite Mercury(I) Complex and a Dumbbell-Shaped Heteronuclear Complex with a Macrocyclic Ligand.","Inorganic chemistry","2016","55","21","11028","11039","10.1021/acs.inorgchem.6b01583","","","0.71073","MoKα","","0.0828","0.0411","","","0.0814","0.0981","","","","","","1.001","","","","has coordinates,has disorder","233323","2020-10-21","18:00:00",""
"4348769","13.5381","0.0002","11.2786","0.0001","14.3054","0.0002","90","","104.095","0.001","90","","2118.54","0.05","296","2","296","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C18 H22 Br2 Cd N2 O2 S2 -","- C18 H22 Br2 Cd N2 O2 S2 -","- C72 H88 Br8 Cd4 N8 O8 S8 -","4","1","","Seo, Sujin; Ju, Huiyeong; Kim, Seulgi; Park, In-Hyeok; Lee, Eunji; Lee, Shim Sung","Group 12 Metal Complexes of an 18-Membered N<sub>2</sub>O<sub>2</sub>S<sub>2</sub> Macrocycle Incorporating Two Pyridines: First Examples of an Infinite Mercury(I) Complex and a Dumbbell-Shaped Heteronuclear Complex with a Macrocyclic Ligand.","Inorganic chemistry","2016","55","21","11028","11039","10.1021/acs.inorgchem.6b01583","","","0.71073","MoKα","","0.0366","0.0266","","","0.0617","0.0657","","","","","","1.033","","","","has coordinates","233323","2020-10-21","18:00:00",""
"4348770","7.8355","0.0001","8.2825","0.0001","11.0954","0.0002","73.249","0.001","74.239","0.001","70.168","0.001","636.421","0.017","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C18 H22 Br4 Hg2 N2 O2 S2 -","- C18 H22 Br4 Hg2 N2 O2 S2 -","- C18 H22 Br4 Hg2 N2 O2 S2 -","1","0.5","","Seo, Sujin; Ju, Huiyeong; Kim, Seulgi; Park, In-Hyeok; Lee, Eunji; Lee, Shim Sung","Group 12 Metal Complexes of an 18-Membered N<sub>2</sub>O<sub>2</sub>S<sub>2</sub> Macrocycle Incorporating Two Pyridines: First Examples of an Infinite Mercury(I) Complex and a Dumbbell-Shaped Heteronuclear Complex with a Macrocyclic Ligand.","Inorganic chemistry","2016","55","21","11028","11039","10.1021/acs.inorgchem.6b01583","","","0.71073","MoKα","","0.0316","0.0285","","","0.0602","0.0612","","","","","","1.098","","","","has coordinates,has disorder","233323","2020-10-21","18:00:00",""
"4348771","21.884","0.0015","9.6475","0.0007","11.3145","0.0009","90","","90","","90","","2388.8","0.3","173","2","173","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C18 H22 Hg2 N4 O8 S2 -","- C18 H22 Hg2 N4 O8 S2 -","- C72 H88 Hg8 N16 O32 S8 -","4","0.5","","Seo, Sujin; Ju, Huiyeong; Kim, Seulgi; Park, In-Hyeok; Lee, Eunji; Lee, Shim Sung","Group 12 Metal Complexes of an 18-Membered N<sub>2</sub>O<sub>2</sub>S<sub>2</sub> Macrocycle Incorporating Two Pyridines: First Examples of an Infinite Mercury(I) Complex and a Dumbbell-Shaped Heteronuclear Complex with a Macrocyclic Ligand.","Inorganic chemistry","2016","55","21","11028","11039","10.1021/acs.inorgchem.6b01583","","","0.71073","MoKα","","0.098","0.0915","","","0.2634","0.27","","","","","","1.158","","","","has coordinates,has disorder","233323","2020-10-21","18:00:00",""
"4348772","8.5122","0.0005","15.0729","0.001","22.8902","0.0014","90","","100.588","0.004","90","","2886.9","0.3","173","2","173","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C19 H24 Br4 Cd2 Cl2 N2 O2 S2 -","- C19 H24 Br4 Cd2 Cl2 N2 O2 S2 -","- C76 H96 Br16 Cd8 Cl8 N8 O8 S8 -","4","1","","Seo, Sujin; Ju, Huiyeong; Kim, Seulgi; Park, In-Hyeok; Lee, Eunji; Lee, Shim Sung","Group 12 Metal Complexes of an 18-Membered N<sub>2</sub>O<sub>2</sub>S<sub>2</sub> Macrocycle Incorporating Two Pyridines: First Examples of an Infinite Mercury(I) Complex and a Dumbbell-Shaped Heteronuclear Complex with a Macrocyclic Ligand.","Inorganic chemistry","2016","55","21","11028","11039","10.1021/acs.inorgchem.6b01583","","","0.71073","MoKα","","0.1282","0.0828","","","0.2067","0.2409","","","","","","1.054","","","","has coordinates","233323","2020-10-21","18:00:00",""
"4348773","18.1345","0.0008","15.4618","0.0007","22.5463","0.0013","90","","112.757","0.002","90","","5829.7","0.5","173","2","173","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C36 H44 Br12 Cd2 Hg4 N4 O4 S4 -","- C36 H44 Br12 Cd2 Hg4 N4 O4 S4 -","- C144 H176 Br48 Cd8 Hg16 N16 O16 S16 -","4","0.5","","Seo, Sujin; Ju, Huiyeong; Kim, Seulgi; Park, In-Hyeok; Lee, Eunji; Lee, Shim Sung","Group 12 Metal Complexes of an 18-Membered N<sub>2</sub>O<sub>2</sub>S<sub>2</sub> Macrocycle Incorporating Two Pyridines: First Examples of an Infinite Mercury(I) Complex and a Dumbbell-Shaped Heteronuclear Complex with a Macrocyclic Ligand.","Inorganic chemistry","2016","55","21","11028","11039","10.1021/acs.inorgchem.6b01583","","","0.71073","MoKα","","0.0431","0.03","","","0.0666","0.0707","","","","","","1.023","","","","has coordinates","233323","2020-10-21","18:00:00",""
"4348774","8.3751","0.0005","18.7073","0.0009","32.532","0.0017","90","","90","","90","","5097","0.5","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C10 H17 Cu4 I6 N3 O -","- C10 H17 Cu4 I6 N3 O -","- C80 H136 Cu32 I48 N24 O8 -","8","1","","Shen, Jun-Ju; Li, Xiang-Xia; Yu, Tan-Lai; Wang, Feng; Hao, Peng-Fei; Fu, Yun-Long","Ultrasensitive Photochromic Iodocuprate(I) Hybrid.","Inorganic chemistry","2016","55","17","8271","8273","10.1021/acs.inorgchem.6b01599","","","0.71073","MoKα","","0.0972","0.0716","","","0.1736","0.1893","","","","","","1.028","","","","has coordinates","233325","2020-10-21","18:00:00",""
"4348775","8.3567","0.0003","18.6751","0.0008","32.4747","0.0014","90","","90","","90","","5068.1","0.4","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C10 H17 Cu4 I6 N3 O -","- C10 H17 Cu4 I6 N3 O -","- C80 H136 Cu32 I48 N24 O8 -","8","1","","Shen, Jun-Ju; Li, Xiang-Xia; Yu, Tan-Lai; Wang, Feng; Hao, Peng-Fei; Fu, Yun-Long","Ultrasensitive Photochromic Iodocuprate(I) Hybrid.","Inorganic chemistry","2016","55","17","8271","8273","10.1021/acs.inorgchem.6b01599","","","0.71073","MoKα","","0.0563","0.0493","","","0.1207","0.1246","","","","","","1.071","","","","has coordinates","233325","2020-10-21","18:00:00",""
"4348776","12.0119","0.0017","13.0891","0.0017","14.124","0.002","87.159","0.006","87.303","0.007","75.886","0.006","2149.6","0.5","173","","173","","","","","","","","","6","P -1","-P 1","2","","","","- C42 H38 F12 Ir N4 P -","- C42 H38 F12 Ir N4 P -","- C84 H76 F24 Ir2 N8 P2 -","2","1","","Pal, Amlan K.; Cordes, David B.; Slawin, Alexandra M. Z.; Momblona, Cristina; Ortı, Enrique; Samuel, Ifor D. W.; Bolink, Henk J.; Zysman-Colman, Eli","Synthesis, Properties, and Light-Emitting Electrochemical Cell (LEEC) Device Fabrication of Cationic Ir(III) Complexes Bearing Electron-Withdrawing Groups on the Cyclometallating Ligands.","Inorganic chemistry","2016","55","20","10361","10376","10.1021/acs.inorgchem.6b01602","","","0.71075","MoKα","","0.0865","0.0775","","","0.2172","0.2334","","","","","","1.137","","","","has coordinates","233327","2020-10-21","18:00:00",""
"4348777","16.835","0.002","11.8886","0.0013","23.435","0.003","90","","92.968","0.003","90","","4684.1","1","173","","173","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C44 H43 F12 Ir N4 O2.5 P -","- C44 H43 F12 Ir N4 O2.5 P -","- C176 H172 F48 Ir4 N16 O10 P4 -","4","1","","Pal, Amlan K.; Cordes, David B.; Slawin, Alexandra M. Z.; Momblona, Cristina; Ortı, Enrique; Samuel, Ifor D. W.; Bolink, Henk J.; Zysman-Colman, Eli","Synthesis, Properties, and Light-Emitting Electrochemical Cell (LEEC) Device Fabrication of Cationic Ir(III) Complexes Bearing Electron-Withdrawing Groups on the Cyclometallating Ligands.","Inorganic chemistry","2016","55","20","10361","10376","10.1021/acs.inorgchem.6b01602","","","0.71075","MoKα","","0.0589","0.0404","","","0.0922","0.101","","","","","","1.051","","","","has coordinates,has disorder","233327","2020-10-21","18:00:00",""
"4348778","17.447","0.006","11.664","0.003","23.186","0.007","90","","90.383","0.007","90","","4718","2","173","","173","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C42 H38 F12 Ir N4 P S2 -","- C42 H38 F12 Ir N4 P S2 -","- C168 H152 F48 Ir4 N16 P4 S8 -","4","1","","Pal, Amlan K.; Cordes, David B.; Slawin, Alexandra M. Z.; Momblona, Cristina; Ortı, Enrique; Samuel, Ifor D. W.; Bolink, Henk J.; Zysman-Colman, Eli","Synthesis, Properties, and Light-Emitting Electrochemical Cell (LEEC) Device Fabrication of Cationic Ir(III) Complexes Bearing Electron-Withdrawing Groups on the Cyclometallating Ligands.","Inorganic chemistry","2016","55","20","10361","10376","10.1021/acs.inorgchem.6b01602","","","0.71075","MoKα","","0.1268","0.0636","","","0.1266","0.1485","","","","","","1.034","","","","has coordinates","233327","2020-10-21","18:00:00",""
"4348779","13.0691","0.0017","17.027","0.002","27.714","0.004","98.3918","0.0018","97.913","0.003","105.002","0.002","5793","1.3","173","","173","","","","","","","","","8","P -1","-P 1","2","","","","- C42 H38 F12 Ir N4 O4 P S2 -","- C42 H38 F12 Ir N4 O4 P S2 -","- C168 H152 F48 Ir4 N16 O16 P4 S8 -","4","2","","Pal, Amlan K.; Cordes, David B.; Slawin, Alexandra M. Z.; Momblona, Cristina; Ortı, Enrique; Samuel, Ifor D. W.; Bolink, Henk J.; Zysman-Colman, Eli","Synthesis, Properties, and Light-Emitting Electrochemical Cell (LEEC) Device Fabrication of Cationic Ir(III) Complexes Bearing Electron-Withdrawing Groups on the Cyclometallating Ligands.","Inorganic chemistry","2016","55","20","10361","10376","10.1021/acs.inorgchem.6b01602","","","0.71075","MoKα","","0.1874","0.0793","","","0.1882","0.2408","","","","","","1.023","","","","has coordinates,has disorder","233327","2020-10-21","18:00:00",""
"4348780","20.4967","0.0003","16.9495","0.0003","20.1647","0.0003","90","","93.318","0.002","90","","6993.65","0.19","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C51 H38 Dy2 F36 N2 O16 P -","- C51 H38 Dy2 F36 N2 O16 P -","- C204 H152 Dy8 F144 N8 O64 P4 -","4","1","","Reis, Samira G.; Briganti, Matteo; Soriano, Stéphane; Guedes, Guilherme P.; Calancea, Sergiu; Tiseanu, Carmen; Novak, Miguel A.; Del Águila-Sánchez, Miguel A; Totti, Federico; Lopez-Ortiz, Fernando; Andruh, Marius; Vaz, Maria G. F.","Binuclear Lanthanide-Radical Complexes Featuring Two Centers with Different Magnetic and Luminescence Properties.","Inorganic chemistry","2016","55","22","11676","11684","10.1021/acs.inorgchem.6b01616","","","0.71073","MoKα","","0.0904","0.0539","","","0.1245","0.152","","","","","","1.049","","","","has coordinates,has disorder","233329","2020-10-21","18:00:00",""
"4348781","32.8296","0.0015","12.4888","0.0005","37.9053","0.0017","90","","109.696","0.001","90","","14632","1.1","150","2","150","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C51 H38 F36 Gd2 N2 O16 P -","- C51 H38 F36 Gd2 N2 O16 P -","- C408 H304 F288 Gd16 N16 O128 P8 -","8","1","","Reis, Samira G.; Briganti, Matteo; Soriano, Stéphane; Guedes, Guilherme P.; Calancea, Sergiu; Tiseanu, Carmen; Novak, Miguel A.; Del Águila-Sánchez, Miguel A; Totti, Federico; Lopez-Ortiz, Fernando; Andruh, Marius; Vaz, Maria G. F.","Binuclear Lanthanide-Radical Complexes Featuring Two Centers with Different Magnetic and Luminescence Properties.","Inorganic chemistry","2016","55","22","11676","11684","10.1021/acs.inorgchem.6b01616","","","0.71073","MoKα","","0.0566","0.0355","","","0.0711","0.0788","","","","","","1.026","","","","has coordinates,has disorder","233331","2020-10-21","18:00:00",""
"4348782","33.039","0.0016","12.7209","0.0005","38.326","0.002","90","","109.627","0.006","90","","15172","1.4","293","2","293","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C51 H38 F36 N2 O16 P Tb2 -","- C51 H38 F36 N2 O16 P Tb2 -","- C408 H304 F288 N16 O128 P8 Tb16 -","8","1","","Reis, Samira G.; Briganti, Matteo; Soriano, Stéphane; Guedes, Guilherme P.; Calancea, Sergiu; Tiseanu, Carmen; Novak, Miguel A.; Del Águila-Sánchez, Miguel A; Totti, Federico; Lopez-Ortiz, Fernando; Andruh, Marius; Vaz, Maria G. F.","Binuclear Lanthanide-Radical Complexes Featuring Two Centers with Different Magnetic and Luminescence Properties.","Inorganic chemistry","2016","55","22","11676","11684","10.1021/acs.inorgchem.6b01616","","","0.71073","MoKα","","0.0677","0.0455","","","0.0998","0.1118","","","","","","1.055","","","","has coordinates","233333","2020-10-21","18:00:00",""
"4348783","11.2987","0.0015","12.9526","0.0018","20.985","0.003","98.696","0.002","97.064","0.002","109.856","0.002","2804.7","0.7","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C34 H88 K N3 O7 S3 Si6 Th -","- C34 H88 K N3 O7 S3 Si6 Th -","- C68 H176 K2 N6 O14 S6 Si12 Th2 -","2","1","","Smiles, Danil E.; Wu, Guang; Hayton, Trevor W.","Synthesis, Electrochemistry, and Reactivity of the Actinide Trisulfides [K(18-crown-6)][An(η(3)-S3)(NR2)3] (An = U, Th; R = SiMe3).","Inorganic chemistry","2016","55","18","9150","9153","10.1021/acs.inorgchem.6b01618","","","0.71073","MoKα","","0.0399","0.0338","","","0.0763","0.0787","","","","","","1.048","","","","has coordinates","233336","2020-10-21","18:00:00",""
"4348784","14.095","0.003","23.499","0.004","19.344","0.004","90","","105.37","0.004","90","","6178","2","100","2","100","2","","","","","","","","9","P 1 21/n 1","-P 2yn","14","","","","- C36 H88 F6 K N3 O13 S2 Si6 U -","- C36 H88 F6 K N3 O13 S2 Si6 U -","- C144 H352 F24 K4 N12 O52 S8 Si24 U4 -","4","1","","Smiles, Danil E.; Wu, Guang; Hayton, Trevor W.","Synthesis, Electrochemistry, and Reactivity of the Actinide Trisulfides [K(18-crown-6)][An(η(3)-S3)(NR2)3] (An = U, Th; R = SiMe3).","Inorganic chemistry","2016","55","18","9150","9153","10.1021/acs.inorgchem.6b01618","","","0.71073","MoKα","","0.1221","0.092","","","0.1846","0.195","","","","","","1.198","","","","has coordinates","233336","2020-10-21","18:00:00",""
"4348785","13.365","0.005","14.225","0.005","18.947","0.006","102.032","0.005","109.232","0.005","96.868","0.005","3257","2","100","2","100","2","","","","","","","","9","P -1","-P 1","2","","","","- C36 H88 F6 K N3 O13 S2 Si6 Th -","- C36 H78 F6 K N3 O13 S2 Si6 Th -","- C72 H156 F12 K2 N6 O26 S4 Si12 Th2 -","2","1","","Smiles, Danil E.; Wu, Guang; Hayton, Trevor W.","Synthesis, Electrochemistry, and Reactivity of the Actinide Trisulfides [K(18-crown-6)][An(η(3)-S3)(NR2)3] (An = U, Th; R = SiMe3).","Inorganic chemistry","2016","55","18","9150","9153","10.1021/acs.inorgchem.6b01618","","","0.71073","MoKα","","0.1559","0.1166","","","0.2749","0.3035","","","","","","1.086","","","","has coordinates","233336","2020-10-21","18:00:00",""
"4348786","10.4683","0.0007","10.9046","0.0005","17.1266","0.0015","86.154","0.011","86.291","0.011","78.645","0.009","1909.8","0.2","123","2","123","2","","","","","","","","7","P -1","-P 1","2","","","","- C38 H29 F12 N7 O2 P2 Ru -","- C38 H29 F12 N7 O2 P2 Ru -","- C76 H58 F24 N14 O4 P4 Ru2 -","2","1","","Fukushima, Takashi; Ghosh, Debashis; Kobayashi, Katsuaki; Ohtsu, Hideki; Kitagawa, Susumu; Tanaka, Koji","Four-Electron Reduction of a New Ruthenium Dicarbonyl Complex Having Two NAD Model Ligands through Decarboxylation in Water.","Inorganic chemistry","2016","55","22","11613","11616","10.1021/acs.inorgchem.6b01619","","","0.7107","MoKα","","0.0606","0.0455","","","0.0793","0.0836","","","","","","1.096","","","","has coordinates,has disorder","233338","2020-10-21","18:00:00",""
"4348787","18.036","0.004","13.849","0.003","16.632","0.004","90","","115.263","0.003","90","","3757","1.5","123","2","123","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C38 H25 F12 N7 O2 P2 Ru -","- C38 H25 F12 N7 O2 P2 Ru -","- C152 H100 F48 N28 O8 P8 Ru4 -","4","0.5","","Fukushima, Takashi; Ghosh, Debashis; Kobayashi, Katsuaki; Ohtsu, Hideki; Kitagawa, Susumu; Tanaka, Koji","Four-Electron Reduction of a New Ruthenium Dicarbonyl Complex Having Two NAD Model Ligands through Decarboxylation in Water.","Inorganic chemistry","2016","55","22","11613","11616","10.1021/acs.inorgchem.6b01619","","","0.71075","MoKα","","0.0531","0.0441","","","0.104","0.1092","","","","","","1.074","","","","has coordinates","233340","2020-10-21","18:00:00",""
"4348788","6.74","0.003","13.805","0.006","9.742","0.004","90","","104.937","0.006","90","","875.8","0.7","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C2 H6 N8 O3 Pb -","- C2 H6 N8 O3 Pb -","- C8 H24 N32 O12 Pb4 -","4","1","","Guo, Zhaoqi; Wu, Yunlong; Deng, Chongqing; Yang, Guoping; Zhang, Jiangong; Sun, Zhihua; Ma, Haixia; Gao, Chao; An, Zhongwei","Structural Modulation from 1D Chain to 3D Framework: Improved Thermostability, Insensitivity, and Energies of Two Nitrogen-Rich Energetic Coordination Polymers.","Inorganic chemistry","2016","55","21","11064","11071","10.1021/acs.inorgchem.6b01630","","","0.71073","MoKα","","0.0411","0.0347","","","0.1125","0.1553","","","","","","1.257","","","","has coordinates","233342","2020-10-21","18:00:00",""
"4348789","13.8912","0.0018","24.074","0.003","8.5487","0.0011","90","","96.655","0.002","90","","2839.6","0.6","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C6 H4 N24 O8 Pb3 -","- C6 H4 N24 O8 Pb3 -","- C24 H16 N96 O32 Pb12 -","4","0.5","","Guo, Zhaoqi; Wu, Yunlong; Deng, Chongqing; Yang, Guoping; Zhang, Jiangong; Sun, Zhihua; Ma, Haixia; Gao, Chao; An, Zhongwei","Structural Modulation from 1D Chain to 3D Framework: Improved Thermostability, Insensitivity, and Energies of Two Nitrogen-Rich Energetic Coordination Polymers.","Inorganic chemistry","2016","55","21","11064","11071","10.1021/acs.inorgchem.6b01630","","","0.71073","MoKα","","0.0463","0.0428","","","0.1316","0.1349","","","","","","1.072","","","","has coordinates","233344","2020-10-21","18:00:00",""
"4348790","15.437","0.002","15.437","0.002","7.5112","0.0015","90","","90","","90","","1789.9","0.5","293","2","293","2","","","","","","","","7","P 4/n :2","-P 4a","85","","","","- C32 H22 Cl Cu N4 O5 S8 -","- C32 H20 Cl Cu N4 O5 S8 -","- C64 H40 Cl2 Cu2 N8 O10 S16 -","2","0.25","","Yin, Zhong-Nan; Li, Yan-Hong; Sun, Yong-Gang; Chen, Ting; Xu, Jing; Zhu, Qin-Yu; Dai, Jie","3D Copper Tetrathiafulvalene Redox-Active Network with 8-Fold Interpenetrating Diamond-like Topology.","Inorganic chemistry","2016","55","18","9154","9157","10.1021/acs.inorgchem.6b01632","","","0.71073","MoKα","","0.106","0.0844","","","0.1309","0.1406","","","","","","1.034","","","","has coordinates","233346","2020-10-21","18:00:00",""
"4348791","23.7556","0.0014","12.9539","0.0008","22.6368","0.0012","90","","108.793","0.002","90","","6594.6","0.7","123","","123","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C35 H37 Mn2 N5 O9 -","- C35 H37 Mn2 N5 O9 -","- C280 H296 Mn16 N40 O72 -","8","1","","Konstantatos, Andreas; Bewley, Robert; Barra, Anne-Laure; Bendix, Jesper; Piligkos, Stergios; Weihe, Høgni","In-Depth Magnetic Characterization of a [2 ×2] Mn(III) Square Grid Using SQUID Magnetometry, Inelastic Neutron Scattering, and High-Field Electron Paramagnetic Resonance Spectroscopy.","Inorganic chemistry","2016","55","20","10377","10382","10.1021/acs.inorgchem.6b01634","","","0.71073","MoKα","","0.0587","0.0367","","","0.0801","0.0895","","","","","","1.0692","","","","has coordinates","233348","2020-10-21","18:00:00",""
"4348792","12.2832","0.0005","17.9598","0.0008","27.4523","0.0012","90","","92.5739","0.0017","90","","6050","0.5","100","","100","","","","","","","","","9","P 1 21/n 1","-P 2yn","14","","","","- C29.5 H75 B2 Cl3 F8 N4 P4 Re6 Se8 -","- C29.5 H75 B2 Cl3 F8 N4 P4 Re6 Se8 -","- C118 H300 B8 Cl12 F32 N16 P16 Re24 Se32 -","4","1","","Corbin, William C.; Nichol, Gary S.; Zheng, Zhiping","Amidine Production by the Addition of NH<sub>3</sub> to Nitrile(s) Bound to and Activated by the Lewis Acidic [Re<sub>6</sub>(μ<sub>3</sub>-Se)<sub>8</sub>]<sup>2+</sup> Cluster Core.","Inorganic chemistry","2016","55","19","9505","9508","10.1021/acs.inorgchem.6b01643","","","0.71073","MoKα","","0.0484","0.0365","","","0.0795","0.084","","","","","","1.115","","","","has coordinates","233350","2020-10-21","18:00:00",""
"4348793","10.7462","0.0008","20.1379","0.0016","12.7725","0.0008","90","","96.037","0.003","90","","2748.7","0.3","100","","100","","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C28 H72 B2 F8 N4 P4 Re6 Se8 -","- C28 H72 B2 F8 N4 P4 Re6 Se8 -","- C56 H144 B4 F16 N8 P8 Re12 Se16 -","2","0.5","","Corbin, William C.; Nichol, Gary S.; Zheng, Zhiping","Amidine Production by the Addition of NH<sub>3</sub> to Nitrile(s) Bound to and Activated by the Lewis Acidic [Re<sub>6</sub>(μ<sub>3</sub>-Se)<sub>8</sub>]<sup>2+</sup> Cluster Core.","Inorganic chemistry","2016","55","19","9505","9508","10.1021/acs.inorgchem.6b01643","","","0.71073","MoKα","","0.0272","0.0231","","","0.0476","0.0486","","","","","","1.17","","","","has coordinates,has disorder","233351","2020-10-21","18:00:00",""
"4348794","13.8033","0.0008","20.8117","0.0012","21.2736","0.0011","90","","104.897","0.002","90","","5905.9","0.6","100","","100","","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C32 H81 B2 F8 N2 P5 Re6 Se8 -","- C32 H81 B2 F8 N2 P5 Re6 Se8 -","- C128 H324 B8 F32 N8 P20 Re24 Se32 -","4","1","","Corbin, William C.; Nichol, Gary S.; Zheng, Zhiping","Amidine Production by the Addition of NH<sub>3</sub> to Nitrile(s) Bound to and Activated by the Lewis Acidic [Re<sub>6</sub>(μ<sub>3</sub>-Se)<sub>8</sub>]<sup>2+</sup> Cluster Core.","Inorganic chemistry","2016","55","19","9505","9508","10.1021/acs.inorgchem.6b01643","","","0.71073","MoKα","","0.0599","0.0403","","","0.0872","0.0953","","","","","","1.084","","","","has coordinates,has disorder","233352","2020-10-21","18:00:00",""
"4348795","19.697","0.0013","8.7362","0.0006","12.3963","0.0008","90","","90","","90","","2133.1","0.2","100","","100","","","","","","","","","6","P 21 21 2","P 2 2ab","18","","","","- C17 H20.83 Cu F6 N5 Sb -","- C17 H20.83 Cu F6 N5 Sb -","- C68 H83.32 Cu4 F24 N20 Sb4 -","4","1","","Domyati, Doaa; Hope, Sydney L.; Latifi, Reza; Hearns, Micah D.; Tahsini, Laleh","Cu(I) Complexes of Pincer Pyridine-Based N-Heterocyclic Carbenes with Small Wingtip Substituents: Synthesis and Structural and Spectroscopic Studies.","Inorganic chemistry","2016","55","22","11685","11693","10.1021/acs.inorgchem.6b01646","","","0.71073","MoKα","","0.0225","0.021","","","0.0457","0.0464","","","","","","1.047","","","","has coordinates,has disorder","233353","2020-10-21","18:00:00",""
"4348796","11.8254","0.0005","11.9626","0.0005","17.9274","0.0007","80.587","0.001","78.93","0.001","64.446","0.001","2236.05","0.16","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C38 H50 Cu2 F12 N10 P2 -","- C38 H50 Cu2 F12 N10 P2 -","- C76 H100 Cu4 F24 N20 P4 -","2","1","","Domyati, Doaa; Hope, Sydney L.; Latifi, Reza; Hearns, Micah D.; Tahsini, Laleh","Cu(I) Complexes of Pincer Pyridine-Based N-Heterocyclic Carbenes with Small Wingtip Substituents: Synthesis and Structural and Spectroscopic Studies.","Inorganic chemistry","2016","55","22","11685","11693","10.1021/acs.inorgchem.6b01646","","","0.71073","MoKα","","0.033","0.0267","","","0.0637","0.067","","","","","","1.048","","","","has coordinates","233354","2020-10-21","18:00:00",""
"4348797","11.0391","0.0013","10.3084","0.0012","16.3127","0.0019","90","","107.991","0.002","90","","1765.5","0.4","100","","100","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C15 H17 Cu F6 N5 P -","- C15 H17 Cu F6 N5 P -","- C60 H68 Cu4 F24 N20 P4 -","4","1","","Domyati, Doaa; Hope, Sydney L.; Latifi, Reza; Hearns, Micah D.; Tahsini, Laleh","Cu(I) Complexes of Pincer Pyridine-Based N-Heterocyclic Carbenes with Small Wingtip Substituents: Synthesis and Structural and Spectroscopic Studies.","Inorganic chemistry","2016","55","22","11685","11693","10.1021/acs.inorgchem.6b01646","","","0.71073","MoKα","","0.0444","0.0352","","","0.0854","0.0912","","","","","","1.044","","","","has coordinates","233356","2020-10-21","18:00:00",""
"4348798","8.479","0.005","11.834","0.005","19.116","0.005","90","0.005","98.451","0.005","90","0.005","1897.3","1.5","100","","100","","","","","","","","","6","P 1 2/n 1","-P 2yac","13","","","","- C15 H17 Cu F6 N5 P -","- C15 H17 Cu F6 N5 P -","- C60 H68 Cu4 F24 N20 P4 -","4","1","","Domyati, Doaa; Hope, Sydney L.; Latifi, Reza; Hearns, Micah D.; Tahsini, Laleh","Cu(I) Complexes of Pincer Pyridine-Based N-Heterocyclic Carbenes with Small Wingtip Substituents: Synthesis and Structural and Spectroscopic Studies.","Inorganic chemistry","2016","55","22","11685","11693","10.1021/acs.inorgchem.6b01646","","","0.71073","MoKα","","0.0303","0.0277","","","0.0719","0.0731","","","","","","1.079","","","","has coordinates","233357","2020-10-21","18:00:00",""
"4348799","25.5637","0.0005","11.1587","0.0002","18.8415","0.0006","90","","132.34","0.001","90","","3972.76","0.18","100","","100","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C17 H21 Cu F6 N5 P -","- C17 H21 Cu F6 N5 P -","- C136 H168 Cu8 F48 N40 P8 -","8","1","","Domyati, Doaa; Hope, Sydney L.; Latifi, Reza; Hearns, Micah D.; Tahsini, Laleh","Cu(I) Complexes of Pincer Pyridine-Based N-Heterocyclic Carbenes with Small Wingtip Substituents: Synthesis and Structural and Spectroscopic Studies.","Inorganic chemistry","2016","55","22","11685","11693","10.1021/acs.inorgchem.6b01646","","","0.71073","MoKα","","0.0355","0.0312","","","0.0825","0.0851","","","","","","1.073","","","","has coordinates","233359","2020-10-21","18:00:00",""
"4348800","11.7223","0.0004","9.3695","0.0003","15.8283","0.0006","90","","104.398","0.001","90","","1683.85","0.1","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C16 H12 Br Mn N4 O3 -","- C16 H12 Br Mn N4 O3 -","- C64 H48 Br4 Mn4 N16 O12 -","4","1","","Stanton, 3rd, Charles J; Vandezande, Jonathon E.; Majetich, George F.; Schaefer, 3rd, Henry F; Agarwal, Jay","Mn-NHC Electrocatalysts: Increasing π Acidity Lowers the Reduction Potential and Increases the Turnover Frequency for CO<sub>2</sub> Reduction.","Inorganic chemistry","2016","55","19","9509","9512","10.1021/acs.inorgchem.6b01657","","","0.71073","MoKα","","0.0249","0.0215","","","0.0573","0.0585","","","","","","1.065","","","","has coordinates","233362","2020-10-21","18:00:00",""
"4348801","12.9432","0.0008","14.6116","0.0009","18.9914","0.0011","90","","107.542","0.003","90","","3424.6","0.4","100","2","100.1","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C32 H41 Cl2 Eu N8 O1.79 -","- C32 H41 Cl2 Eu N8 O1.793 -","- C128 H164 Cl8 Eu4 N32 O7.172 -","4","1","","Jin, Guo-Xia; Bailey, Matthew D.; Allen, Matthew J.","Unique Eu(II) Coordination Environments with a Janus Cryptand.","Inorganic chemistry","2016","55","17","9085","9090","10.1021/acs.inorgchem.6b01659","","","0.71073","MoKα","","0.0493","0.0408","","","0.1025","0.1085","","","","","","1.044","","","","has coordinates,has disorder","233364","2020-10-21","18:00:00",""
"4348802","10.5874","0.001","13.0022","0.0013","15.2354","0.0014","88.736","0.006","74.793","0.005","78.543","0.005","1982.5","0.3","100","2","100.1","","","","","","","","","6","P -1","-P 1","2","","","","- C66 H98 Eu2 I4 N16 O10 -","- C66 H98 Eu2 I4 N16 O9.34 -","- C66 H98 Eu2 I4 N16 O9.34 -","1","0.5","","Jin, Guo-Xia; Bailey, Matthew D.; Allen, Matthew J.","Unique Eu(II) Coordination Environments with a Janus Cryptand.","Inorganic chemistry","2016","55","17","9085","9090","10.1021/acs.inorgchem.6b01659","","","0.71073","MoKα","","0.1262","0.0928","","","0.2544","0.2825","","","","","","1.1","","","","has coordinates,has disorder","233366","2020-10-21","18:00:00",""
"4348803","5.2746","0.0016","17.04","0.005","11.407","0.003","90","","94.197","0.005","90","","1022.5","0.5","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C12 H32 Cl2 N4 O6 Zn -","- C12 H28 Cl2 N4 O6 Zn -","- C24 H56 Cl4 N8 O12 Zn2 -","2","1","","Yuan, Shaotang; Nawrocki, Shiri; Stranick, Michael; Yang, Ying; Zheng, Chong; Masters, James G.; Pan, Long","A Water-Soluble Cationic Zinc Lysine Precursor for Coating ZnO on Biomaterial Surfaces.","Inorganic chemistry","2016","55","20","10094","10097","10.1021/acs.inorgchem.6b01663","","","0.71073","MoKα","","0.034","0.0318","","","0.0816","0.083","","","","","","1.18","","","","has coordinates","233368","2020-10-21","18:00:00",""
"4348804","14.6691","0.0008","18.0515","0.001","17.5329","0.0009","90","","92.0975","0.0015","90","","4639.6","0.4","200","2","200","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C53 H61 Al N2 P2 -","- C53 H61 Al N2 P2 -","- C212 H244 Al4 N8 P8 -","4","1","","Chu, Terry; Boyko, Yaroslav; Korobkov, Ilia; Kuzmina, Lyudmila G.; Howard, Judith A. K.; Nikonov, Georgii I.","Oxidative Addition of Disulfides, Alkyl Sulfides, and Diphosphides to an Aluminum(I) Center.","Inorganic chemistry","2016","55","17","9099","9104","10.1021/acs.inorgchem.6b01668","","","0.71073","MoKα","","0.057","0.0459","","","0.1192","0.1289","","","","","","1.033","","","","has coordinates,has disorder","233370","2020-10-21","18:00:00",""
"4348805","16.4471","0.0005","20.3617","0.0005","9.8161","0.0002","90","","90","","90","","3287.32","0.14","200","2","200","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C33 H50 Al N2 S -","- C33 H50 Al N2 S -","- C132 H200 Al4 N8 S4 -","4","0.5","","Chu, Terry; Boyko, Yaroslav; Korobkov, Ilia; Kuzmina, Lyudmila G.; Howard, Judith A. K.; Nikonov, Georgii I.","Oxidative Addition of Disulfides, Alkyl Sulfides, and Diphosphides to an Aluminum(I) Center.","Inorganic chemistry","2016","55","17","9099","9104","10.1021/acs.inorgchem.6b01668","","","0.71073","MoKα","","0.0578","0.0499","","","0.1539","0.1637","","","","","","1.09","","","","has coordinates,has disorder","233372","2020-10-21","18:00:00",""
"4348806","9.6103","0.0007","22.3119","0.0015","17.1718","0.0012","90","","95.512","0.002","90","","3665","0.4","120","0.2","120","0.2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C41 H51 Al N2 S2 -","- C41 H51 Al N2 S2 -","- C164 H204 Al4 N8 S8 -","4","1","","Chu, Terry; Boyko, Yaroslav; Korobkov, Ilia; Kuzmina, Lyudmila G.; Howard, Judith A. K.; Nikonov, Georgii I.","Oxidative Addition of Disulfides, Alkyl Sulfides, and Diphosphides to an Aluminum(I) Center.","Inorganic chemistry","2016","55","17","9099","9104","10.1021/acs.inorgchem.6b01668","","","0.71073","MoKα","","0.0799","0.0668","","","0.1628","0.1736","","","","","","1.067","","","","has coordinates","233373","2020-10-21","18:00:00",""
"4348807","8.952","0.0002","13.9264","0.0003","27.3934","0.0006","90","","93.261","0.002","90","","3409.58","0.13","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C27 H32 Dy N10 Ni O10 W -","- C27 H26 Dy N10 Ni O10 W -","- C108 H104 Dy4 N40 Ni4 O40 W4 -","4","1","","Vieru, Veacheslav; Pasatoiu, Traian D.; Ungur, Liviu; Suturina, Elizaveta; Madalan, Augustin M.; Duhayon, Carine; Sutter, Jean-Pascal; Andruh, Marius; Chibotaru, Liviu F.","Synthesis, Crystal Structures, Magnetic Properties, and Theoretical Investigation of a New Series of Ni<sup>II</sup>-Ln<sup>III</sup>-W<sup>V</sup> Heterotrimetallics: Understanding the SMM Behavior of Mixed Polynuclear Complexes.","Inorganic chemistry","2016","55","23","12158","12171","10.1021/acs.inorgchem.6b01669","","","0.71073","MoKα","","0.0454","0.0413","","","0.1033","0.1065","","","","","","1.191","","","","has coordinates","233375","2020-10-21","18:00:00",""
"4348808","8.9103","0.0003","13.9215","0.0005","27.273","0.001","90","","93.553","0.004","90","","3376.6","0.2","180","","180","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C27 H32 Gd N10 Ni O10 W -","- C27 H20 Gd N10 Ni O10 W -","- C108 H80 Gd4 N40 Ni4 O40 W4 -","4","1","","Vieru, Veacheslav; Pasatoiu, Traian D.; Ungur, Liviu; Suturina, Elizaveta; Madalan, Augustin M.; Duhayon, Carine; Sutter, Jean-Pascal; Andruh, Marius; Chibotaru, Liviu F.","Synthesis, Crystal Structures, Magnetic Properties, and Theoretical Investigation of a New Series of Ni<sup>II</sup>-Ln<sup>III</sup>-W<sup>V</sup> Heterotrimetallics: Understanding the SMM Behavior of Mixed Polynuclear Complexes.","Inorganic chemistry","2016","55","23","12158","12171","10.1021/acs.inorgchem.6b01669","","","0.7107","MoKα","","0.0936","0.0435","","0.136","0.0532","0.0545","","","","","","0.9978","","","","has coordinates","233377","2020-10-21","18:00:00",""
"4348809","8.9506","0.0005","13.9237","0.0006","27.4023","0.0015","90","","93.252","0.004","90","","3409.5","0.3","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C27 H32 N10 Ni O10 W Y -","- C27 H20 N10 Ni O10 W Y -","- C108 H80 N40 Ni4 O40 W4 Y4 -","4","1","","Vieru, Veacheslav; Pasatoiu, Traian D.; Ungur, Liviu; Suturina, Elizaveta; Madalan, Augustin M.; Duhayon, Carine; Sutter, Jean-Pascal; Andruh, Marius; Chibotaru, Liviu F.","Synthesis, Crystal Structures, Magnetic Properties, and Theoretical Investigation of a New Series of Ni<sup>II</sup>-Ln<sup>III</sup>-W<sup>V</sup> Heterotrimetallics: Understanding the SMM Behavior of Mixed Polynuclear Complexes.","Inorganic chemistry","2016","55","23","12158","12171","10.1021/acs.inorgchem.6b01669","","","0.71073","MoKα","","0.084","0.0597","","","0.1264","0.1399","","","","","","1.064","","","","has coordinates","233379","2020-10-21","18:00:00",""
"4348810","8.9298","0.0004","13.9422","0.0007","30.8112","0.0019","90","","90","","90","","3836","0.4","293","2","293","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C27 H32 Lu N10 Ni O10 W -","- C27 H20 Lu N10 Ni O10 W -","- C108 H80 Lu4 N40 Ni4 O40 W4 -","4","1","","Vieru, Veacheslav; Pasatoiu, Traian D.; Ungur, Liviu; Suturina, Elizaveta; Madalan, Augustin M.; Duhayon, Carine; Sutter, Jean-Pascal; Andruh, Marius; Chibotaru, Liviu F.","Synthesis, Crystal Structures, Magnetic Properties, and Theoretical Investigation of a New Series of Ni<sup>II</sup>-Ln<sup>III</sup>-W<sup>V</sup> Heterotrimetallics: Understanding the SMM Behavior of Mixed Polynuclear Complexes.","Inorganic chemistry","2016","55","23","12158","12171","10.1021/acs.inorgchem.6b01669","","","0.71073","MoKα","","0.0984","0.084","","","0.2182","0.2316","","","","","","1.055","","","","has coordinates","233381","2020-10-21","18:00:00",""
"4348811","8.9747","0.0003","13.9587","0.0004","27.4653","0.0009","90","","93.266","0.003","90","","3435.13","0.19","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C27 H32 Eu N10 Ni O10 W -","- C27 H20 Eu N10 Ni O10 W -","- C108 H80 Eu4 N40 Ni4 O40 W4 -","4","1","","Vieru, Veacheslav; Pasatoiu, Traian D.; Ungur, Liviu; Suturina, Elizaveta; Madalan, Augustin M.; Duhayon, Carine; Sutter, Jean-Pascal; Andruh, Marius; Chibotaru, Liviu F.","Synthesis, Crystal Structures, Magnetic Properties, and Theoretical Investigation of a New Series of Ni<sup>II</sup>-Ln<sup>III</sup>-W<sup>V</sup> Heterotrimetallics: Understanding the SMM Behavior of Mixed Polynuclear Complexes.","Inorganic chemistry","2016","55","23","12158","12171","10.1021/acs.inorgchem.6b01669","","","0.71073","MoKα","","0.0467","0.0369","","","0.076","0.0792","","","","","","1.057","","","","has coordinates","233382","2020-10-21","18:00:00",""
"4348812","14.121","0.003","16.241","0.003","16.42","0.004","90","","107.644","0.003","90","","3588.6","1.3","113","2","113","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C70 H116 N4 O8 Sm2 -","- C70 H116 N4 O8 Sm2 -","- C140 H232 N8 O16 Sm4 -","2","0.5","","Li, Jianfeng; Zhao, Chaoyue; Liu, Jinxi; Huang, Hanmin; Wang, Fengxin; Xu, Xiufang; Cui, Chunming","Activation of Ene-Diamido Samarium Methoxide with Hydrosilane for Selectively Catalytic Hydrosilylation of Alkenes and Polymerization of Styrene: an Experimental and Theoretical Mechanistic Study.","Inorganic chemistry","2016","55","17","9105","9111","10.1021/acs.inorgchem.6b01670","","","0.71073","MoKα","","0.0267","0.0227","","","0.0521","0.0533","","","","","","1.026","","","","has coordinates","233384","2020-10-21","18:00:00",""
"4348813","11.0624","0.0012","15.4603","0.0016","7.5432","0.0008","90","","91.661","0.003","90","","1289.6","0.2","296","2","296","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C9 H14 Ag Br2 N O0 S -","- C9 H14 Ag Br2 N S -","- C36 H56 Ag4 Br8 N4 S4 -","4","1","","Wang, Fan; Wang, Yu-Ting; Yu, Hong; Chen, Jin-Xiang; Gao, Bin-Bin; Lang, Jian-Ping","One Unique 1D Silver(I)-Bromide-Thiol Coordination Polymer Used for Highly Efficient Chemiresistive Sensing of Ammonia and Amines in Water.","Inorganic chemistry","2016","55","18","9417","9423","10.1021/acs.inorgchem.6b01688","","","0.71073","MoKα","","0.0385","0.0352","","","0.0893","0.092","","","","","","1.119","","","","has coordinates","233386","2020-10-21","18:00:00",""
"4348814","27.6602","0.0005","27.6602","0.0005","27.6602","0.0005","90","","90","","90","","21162.5","0.7","173","2","173","2","","","","","","","","5","P a -3","-P 2ac 2ab 3","205","Fe13 cluster capped by 6 bismuth cations and 12 TFA ligands","","","- C24 Bi6 F36 Fe13 O76 -","- C24 Bi6 F36 Fe13 O76 -","- C192 Bi48 F288 Fe104 O608 -","8","0.333333","","Sadeghi, Omid; Falaise, Clément; Molina, Pedro I.; Hufschmid, Ryan; Campana, Charles F.; Noll, Bruce C.; Browning, Nigel D.; Nyman, May","Chemical Stabilization and Electrochemical Destabilization of the Iron Keggin Ion in Water.","Inorganic chemistry","2016","55","21","11078","11088","10.1021/acs.inorgchem.6b01694","","x-ray","1.54184","CuKα","","0.0928","0.0411","","","0.0463","0.053","","","","1.36","1.36","1.16","","","","has coordinates","233389","2020-10-21","18:00:00",""
"4348815","19.944","0.002","19.251","0.002","15.101","0.0016","90","","103.109","0.004","90","","5646.8","1","100","2","100","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- C20 Bi6 F30 Fe13 Na4 O58 -","- C20 Bi6 F30 Fe13 Na4 O58 -","- C40 Bi12 F60 Fe26 Na8 O116 -","2","0.25","","Sadeghi, Omid; Falaise, Clément; Molina, Pedro I.; Hufschmid, Ryan; Campana, Charles F.; Noll, Bruce C.; Browning, Nigel D.; Nyman, May","Chemical Stabilization and Electrochemical Destabilization of the Iron Keggin Ion in Water.","Inorganic chemistry","2016","55","21","11078","11088","10.1021/acs.inorgchem.6b01694","","x-ray","0.71073","MoKα","","0.1253","0.0701","","","0.0818","0.0851","","","","3.08","3.08","2.6","","","","has coordinates","233391","2020-10-21","18:00:00",""
"4348816","13.8","0.003","15.4","0.003","18.5","0.004","79","0.03","80","0.03","74","0.03","3679.2","1.5","130","0.1","130","0.1","","","","","","","","8","P 1","P 1","1","","","","- C72 H63.11 B Cl Cu3 F4 N3 P6 -","- C72 H63.125 B Cl Cu3 F4 N3 P6 -","- C144 H126.25 B2 Cl2 Cu6 F8 N6 P12 -","2","2","","Li, Jiaye; White, Jonathan M.; Mulder, Roger J.; Reid, Gavin E.; Donnelly, Paul S.; O'Hair, Richard A J","Synthesis, Structural Characterization, and Gas-Phase Unimolecular Reactivity of Bis(diphenylphosphino)amino Copper Hydride Nanoclusters [Cu<sub>3</sub>(X)(μ<sub>3</sub>-H)((PPh<sub>2</sub>)<sub>2</sub>NH)<sub>3</sub>](BF<sub>4</sub>), Where X = μ<sub>2</sub>-Cl and μ<sub>3</sub>-BH<sub>4</sub>.","Inorganic chemistry","2016","55","19","9858","9868","10.1021/acs.inorgchem.6b01696","","x-ray","0.71073","MoKα","","0.0792","0.0666","","","0.1853","0.202","","","","","","1.111","","","","has coordinates,has disorder","233393","2020-10-21","18:00:00",""
"4348817","18.421","0.0004","22.4885","0.0003","21.369","0.0004","90","","113.774","0.002","90","","8101.2","0.3","292.56","0.1","292.56","0.1","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C72 H68 B2 Cu3 F4 N3 P6 -","- C72 H68 B2 Cu3 F4 N3 P6 -","- C288 H272 B8 Cu12 F16 N12 P24 -","4","1","","Li, Jiaye; White, Jonathan M.; Mulder, Roger J.; Reid, Gavin E.; Donnelly, Paul S.; O'Hair, Richard A J","Synthesis, Structural Characterization, and Gas-Phase Unimolecular Reactivity of Bis(diphenylphosphino)amino Copper Hydride Nanoclusters [Cu<sub>3</sub>(X)(μ<sub>3</sub>-H)((PPh<sub>2</sub>)<sub>2</sub>NH)<sub>3</sub>](BF<sub>4</sub>), Where X = μ<sub>2</sub>-Cl and μ<sub>3</sub>-BH<sub>4</sub>.","Inorganic chemistry","2016","55","19","9858","9868","10.1021/acs.inorgchem.6b01696","","x-ray","1.54184","CuKα","","0.0555","0.0427","","","0.1125","0.1209","","","","","","1.062","","","","has coordinates,has disorder","233395","2020-10-21","18:00:00",""
"4348818","5.8725","0.0005","17.3346","0.0018","6.9668","0.0008","90","","94.346","0.006","90","","707.16","0.13","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C12 Co O14 U -","- C12 Co O14 U -","- C24 Co2 O28 U2 -","2","1","","Falaise, Clément; Delille, Jason; Volkringer, Christophe; Vezin, Hervé; Rabu, Pierre; Loiseau, Thierry","Series of Hydrated Heterometallic Uranyl-Cobalt(II) Coordination Polymers with Aromatic Polycarboxylate Ligands: Formation of U═O-Co Bonding upon Dehydration Process.","Inorganic chemistry","2016","55","20","10453","10466","10.1021/acs.inorgchem.6b01697","","","0.71073","MoKα","","0.083","0.0681","","","0.1802","0.2065","","","","","","1.258","","","","has coordinates","233398","2020-10-21","18:00:00",""
"4348819","6.8061","0.0006","8.2468","0.0007","9.0956","0.0008","103.824","0.004","94.823","0.004","102.719","0.004","478.51","0.07","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C12 Co O20 U2 -","- C12 Co O20 U2 -","- C12 Co O20 U2 -","1","0.5","","Falaise, Clément; Delille, Jason; Volkringer, Christophe; Vezin, Hervé; Rabu, Pierre; Loiseau, Thierry","Series of Hydrated Heterometallic Uranyl-Cobalt(II) Coordination Polymers with Aromatic Polycarboxylate Ligands: Formation of U═O-Co Bonding upon Dehydration Process.","Inorganic chemistry","2016","55","20","10453","10466","10.1021/acs.inorgchem.6b01697","","","0.71073","MoKα","","0.0205","0.0175","","","0.0374","0.0382","","","","","","1.067","","","","has coordinates","233400","2020-10-21","18:00:00",""
"4348820","8.2965","0.0002","8.5833","0.0002","9.876","0.0002","96.564","0.001","102.938","0.001","94.199","0.001","677.38","0.03","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C6 Co O14 U -","- C6 Co O14 U -","- C12 Co2 O28 U2 -","2","1","","Falaise, Clément; Delille, Jason; Volkringer, Christophe; Vezin, Hervé; Rabu, Pierre; Loiseau, Thierry","Series of Hydrated Heterometallic Uranyl-Cobalt(II) Coordination Polymers with Aromatic Polycarboxylate Ligands: Formation of U═O-Co Bonding upon Dehydration Process.","Inorganic chemistry","2016","55","20","10453","10466","10.1021/acs.inorgchem.6b01697","","","0.71073","MoKα","","0.0371","0.0305","","","0.0624","0.0661","","","","","","0.999","","","","has coordinates","233402","2020-10-21","18:00:00",""
"4348821","8.87","0.002","11.134","0.003","11.215","0.003","86.203","0.014","87.314","0.014","87.076","0.014","1102.7","0.5","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C12 Co O22 U2 -","- C12 Co O22 U2 -","- C24 Co2 O44 U4 -","2","1","","Falaise, Clément; Delille, Jason; Volkringer, Christophe; Vezin, Hervé; Rabu, Pierre; Loiseau, Thierry","Series of Hydrated Heterometallic Uranyl-Cobalt(II) Coordination Polymers with Aromatic Polycarboxylate Ligands: Formation of U═O-Co Bonding upon Dehydration Process.","Inorganic chemistry","2016","55","20","10453","10466","10.1021/acs.inorgchem.6b01697","","","0.71073","MoKα","","0.0339","0.0266","","","0.067","0.0709","","","","","","1.09","","","","has coordinates","233404","2020-10-21","18:00:00",""
"4348822","6.885","0.0003","8.5229","0.0004","11.384","0.0005","95.411","0.002","90.8","0.002","108.87","0.002","628.59","0.05","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C12 Co O26 U2 -","- C12 Co O26 U2 -","- C12 Co O26 U2 -","1","0.5","","Falaise, Clément; Delille, Jason; Volkringer, Christophe; Vezin, Hervé; Rabu, Pierre; Loiseau, Thierry","Series of Hydrated Heterometallic Uranyl-Cobalt(II) Coordination Polymers with Aromatic Polycarboxylate Ligands: Formation of U═O-Co Bonding upon Dehydration Process.","Inorganic chemistry","2016","55","20","10453","10466","10.1021/acs.inorgchem.6b01697","","","0.71073","MoKα","","0.0201","0.0174","","","0.0445","0.0457","","","","","","1.01","","","","has coordinates","233405","2020-10-21","18:00:00",""
"4348823","6.3037","0.0001","8.3564","0.0002","9.1115","0.0002","97.919","0.001","91.438","0.001","103.204","0.001","462.018","0.017","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C12 Co O20 U -","- C12 Co O20 U -","- C12 Co O20 U -","1","0.5","","Falaise, Clément; Delille, Jason; Volkringer, Christophe; Vezin, Hervé; Rabu, Pierre; Loiseau, Thierry","Series of Hydrated Heterometallic Uranyl-Cobalt(II) Coordination Polymers with Aromatic Polycarboxylate Ligands: Formation of U═O-Co Bonding upon Dehydration Process.","Inorganic chemistry","2016","55","20","10453","10466","10.1021/acs.inorgchem.6b01697","","","0.71073","MoKα","","0.0171","0.017","","","0.0443","0.0444","","","","","","1.09","","","","has coordinates","233406","2020-10-21","18:00:00",""
"4348824","8.39","0.0002","18.0142","0.0003","21.9051","0.0004","90","","90","","90","","3310.72","0.11","293","2","293","2","","","","","","","","5","C 2 2 21","C 2c 2","20","","","","- C24 H12 Co O25 U2 -","- C24 H12 Co O25 U2 -","- C96 H48 Co4 O100 U8 -","4","0.5","","Falaise, Clément; Delille, Jason; Volkringer, Christophe; Vezin, Hervé; Rabu, Pierre; Loiseau, Thierry","Series of Hydrated Heterometallic Uranyl-Cobalt(II) Coordination Polymers with Aromatic Polycarboxylate Ligands: Formation of U═O-Co Bonding upon Dehydration Process.","Inorganic chemistry","2016","55","20","10453","10466","10.1021/acs.inorgchem.6b01697","","","0.71073","MoKα","","0.0203","0.0188","","","0.0383","0.0386","","","","","","1.082","","","","has coordinates","233407","2020-10-21","18:00:00",""
"4348825","9.903","0.003","10.233","0.003","12.099","0.003","85.385","0.005","73.186","0.005","63.122","0.004","1045.1","0.5","173","2","173","2","","","","","","","synthesis as described","8","P -1","-P 1","2","","","","- C38 H42 Cu2 I2 N2 P2 Pt S2 -","- C38 H42 Cu2 I2 N2 P2 Pt S2 -","- C38 H42 Cu2 I2 N2 P2 Pt S2 -","1","0.5","","Juvenal, Frank; Langlois, Adam; Bonnot, Antoine; Fortin, Daniel; Harvey, Pierre D.","Luminescent 1D- and 2D-Coordination Polymers Using CuX Salts (X = Cl, Br, I) and a Metal-Containing Dithioether Ligand.","Inorganic chemistry","2016","55","21","11096","11109","10.1021/acs.inorgchem.6b01703","","x-ray","0.71073","MoKα","","0.0171","0.0168","","","0.0406","0.0407","","","","","","1.037","","","","has coordinates","233408","2020-10-21","18:00:00",""
"4348826","13.531","0.003","14.255","0.003","19.179","0.004","108.262","0.005","94.987","0.005","109.415","0.006","3236.9","1.2","173","2","173","2","","","","","","","synthesis as described","8","P -1","-P 1","2","","","","- C52 H71 Cl4 Cu4 N P4 Pt2 S4 -","- C52 H71 Cl4 Cu4 N P4 Pt2 S4 -","- C104 H142 Cl8 Cu8 N2 P8 Pt4 S8 -","2","1","","Juvenal, Frank; Langlois, Adam; Bonnot, Antoine; Fortin, Daniel; Harvey, Pierre D.","Luminescent 1D- and 2D-Coordination Polymers Using CuX Salts (X = Cl, Br, I) and a Metal-Containing Dithioether Ligand.","Inorganic chemistry","2016","55","21","11096","11109","10.1021/acs.inorgchem.6b01703","","x-ray","0.71073","MoKα","","0.0544","0.0339","","","0.0684","0.0732","","","","","","1.038","","","","has coordinates","233409","2020-10-21","18:00:00",""
"4348827","11.119","0.003","11.277","0.003","12.796","0.004","87.709","0.005","89.756","0.006","71.78","0.006","1522.8","0.7","173","2","173","2","","","","","","","synthesis as described","7","P -1","-P 1","2","","","","- C48 H64 Br4 Cu4 P4 Pt2 S4 -","- C48 H64 Br4 Cu4 P4 Pt2 S4 -","- C48 H64 Br4 Cu4 P4 Pt2 S4 -","1","0.5","","Juvenal, Frank; Langlois, Adam; Bonnot, Antoine; Fortin, Daniel; Harvey, Pierre D.","Luminescent 1D- and 2D-Coordination Polymers Using CuX Salts (X = Cl, Br, I) and a Metal-Containing Dithioether Ligand.","Inorganic chemistry","2016","55","21","11096","11109","10.1021/acs.inorgchem.6b01703","","x-ray","0.71073","MoKα","","0.026","0.0183","","","0.0355","0.0369","","","","","","1.008","","","","has coordinates,has disorder","233410","2020-10-21","18:00:00",""
"4348828","10.255","0.003","10.705","0.003","11.407","0.003","77.946","0.005","65.306","0.005","61.884","0.004","1003.4","0.5","173","2","173","2","","","","","","","synthesis as described","8","P -1","-P 1","2","","","","- C14 H19.5 Cu2 I2 N0.5 P Pt0.5 S -","- C14 H19.5 Cu2 I2 N0.5 P Pt0.5 S -","- C28 H39 Cu4 I4 N P2 Pt S2 -","2","1","","Juvenal, Frank; Langlois, Adam; Bonnot, Antoine; Fortin, Daniel; Harvey, Pierre D.","Luminescent 1D- and 2D-Coordination Polymers Using CuX Salts (X = Cl, Br, I) and a Metal-Containing Dithioether Ligand.","Inorganic chemistry","2016","55","21","11096","11109","10.1021/acs.inorgchem.6b01703","","x-ray","0.71073","MoKα","","0.0158","0.0149","","","0.0345","0.0348","","","","","","1.069","","","","has coordinates,has disorder","233411","2020-10-21","18:00:00",""
"4348829","13.3232","0.0013","5.7135","0.0006","17.2298","0.0017","90","","103.522","0.002","90","","1275.2","0.2","173","2","173","2","","","","","","","synthesis as described","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H32 P2 Pt S2 -","- C24 H32 P2 Pt S2 -","- C48 H64 P4 Pt2 S4 -","2","0.5","","Juvenal, Frank; Langlois, Adam; Bonnot, Antoine; Fortin, Daniel; Harvey, Pierre D.","Luminescent 1D- and 2D-Coordination Polymers Using CuX Salts (X = Cl, Br, I) and a Metal-Containing Dithioether Ligand.","Inorganic chemistry","2016","55","21","11096","11109","10.1021/acs.inorgchem.6b01703","","x-ray","1.54186","CuKα","","0.0524","0.0507","","","0.1325","0.1355","","","","","","1.085","","","","has coordinates","233412","2020-10-21","18:00:00",""
"4348830","11.119","0.003","11.26","0.003","12.801","0.004","87.41","0.006","89.416","0.005","72.021","0.005","1522.9","0.7","173","2","173","2","","","","","","","","7","P 1","P 1","1","","","","- C48 H64 Br4 Cu4 P4 Pt2 S4 -","- C48 H64 Br4 Cu4 P4 Pt2 S4 -","- C48 H64 Br4 Cu4 P4 Pt2 S4 -","1","1","","Juvenal, Frank; Langlois, Adam; Bonnot, Antoine; Fortin, Daniel; Harvey, Pierre D.","Luminescent 1D- and 2D-Coordination Polymers Using CuX Salts (X = Cl, Br, I) and a Metal-Containing Dithioether Ligand.","Inorganic chemistry","2016","55","21","11096","11109","10.1021/acs.inorgchem.6b01703","","","0.71073","MoKα","","0.0291","0.0215","","","0.0414","0.0431","","","","","","1.303","","","","has coordinates,has disorder","233413","2020-10-21","18:00:00",""
"4348831","9.055","0.003","12.988","0.004","15.424","0.004","83.32","0.007","86.02","0.007","79.651","0.007","1770.2","0.9","173","2","173","2","","","","","","","synthesis as described","8","P -1","-P 1","2","","","","- C31 H37 Cl2 Cu2 N P2 Pt S2 -","- C31 H37 Cl2 Cu2 N P2 Pt S2 -","- C62 H74 Cl4 Cu4 N2 P4 Pt2 S4 -","2","1","","Juvenal, Frank; Langlois, Adam; Bonnot, Antoine; Fortin, Daniel; Harvey, Pierre D.","Luminescent 1D- and 2D-Coordination Polymers Using CuX Salts (X = Cl, Br, I) and a Metal-Containing Dithioether Ligand.","Inorganic chemistry","2016","55","21","11096","11109","10.1021/acs.inorgchem.6b01703","","x-ray","0.71073","MoKα","","0.0333","0.029","","","0.0924","0.0967","","","","","","0.891","","","","has coordinates","233414","2020-10-21","18:00:00",""
"4348832","36.963","0.003","36.963","0.003","36.963","0.003","90","","90","","90","","50501","7","100","2","100","2","","","","","","","","5","F d -3 c :2","-F 4ud 2vw 3","228","","","","- C120 H12 Ag12 F72 N24 -","- C119.976 H12 Ag12 F72 N24 -","- C1919.62 H192 Ag192 F1152 N384 -","16","0.0833333","","Jayaratna, Naleen B.; Olmstead, Marilyn M.; Kharisov, Boris I.; Dias, H. V. Rasika","Coinage Metal Pyrazolates [(3,5-(CF3)2Pz)M]3 (M = Au, Ag, Cu) as Buckycatchers.","Inorganic chemistry","2016","55","17","8277","8280","10.1021/acs.inorgchem.6b01709","","","0.71073","MoKα","","0.0412","0.0387","","","0.0928","0.0957","","","","","","1.109","","","","has coordinates,has disorder","233416","2020-10-21","18:00:00",""
"4348833","36.34","0.003","36.34","0.003","36.34","0.003","90","","90","","90","","47990","7","100","2","100","2","","","","","","","","5","F d -3 c :2","-F 4ud 2vw 3","228","","","","- C120 H12 Cu12 F72 N24 -","- C119.976 H12 Cu12 F72 N24 -","- C1919.62 H192 Cu192 F1152 N384 -","16","0.0833333","","Jayaratna, Naleen B.; Olmstead, Marilyn M.; Kharisov, Boris I.; Dias, H. V. Rasika","Coinage Metal Pyrazolates [(3,5-(CF3)2Pz)M]3 (M = Au, Ag, Cu) as Buckycatchers.","Inorganic chemistry","2016","55","17","8277","8280","10.1021/acs.inorgchem.6b01709","","","0.71073","MoKα","","0.073","0.0725","","","0.1507","0.151","","","","","","1.248","","","","has coordinates,has disorder","233417","2020-10-21","18:00:00",""
"4348834","36.823","0.006","36.823","0.006","36.823","0.006","90","","90","","90","","49930","14","100","2","100","2","","","","","","","","5","F d -3 c :2","-F 4ud 2vw 3","228","","","","- C120 H12 Au12 F72 N24 -","- C119.976 H12 Au12 F72 N24 -","- C1919.62 H192 Au192 F1152 N384 -","16","0.0833333","","Jayaratna, Naleen B.; Olmstead, Marilyn M.; Kharisov, Boris I.; Dias, H. V. Rasika","Coinage Metal Pyrazolates [(3,5-(CF3)2Pz)M]3 (M = Au, Ag, Cu) as Buckycatchers.","Inorganic chemistry","2016","55","17","8277","8280","10.1021/acs.inorgchem.6b01709","","","0.71073","MoKα","","0.0366","0.0257","","","0.0582","0.0702","","","","","","1.306","","","","has coordinates,has disorder","233418","2020-10-21","18:00:00",""
"4348835","10.766","0.002","12.993","0.003","20.035","0.004","76.46","0.03","85.52","0.03","69.16","0.03","2546.4","1.1","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C40 H42 N4 O9 S Zn2 -","- C40 H42 N4 O9 S Zn2 -","- C80 H84 N8 O18 S2 Zn4 -","2","1","","Hawes, Chris S.; Knowles, Gregory P.; Chaffee, Alan L.; White, Keith F.; Abrahams, Brendan F.; Batten, Stuart R.; Turner, David R.","Porous Polyrotaxane Coordination Networks Containing Two Distinct Conformers of a Discontinuously Flexible Ligand.","Inorganic chemistry","2016","55","20","10467","10474","10.1021/acs.inorgchem.6b01713","","","0.7109","Synchrotron","","0.0867","0.0754","","","0.2102","0.2196","","","","","","1.044","","","","has coordinates,has disorder","233420","2020-10-21","18:00:00",""
"4348836","11.739","0.002","13.76","0.003","16.428","0.003","114.67","0.03","95.03","0.03","92.65","0.03","2392","1","100","2","100","","","","","","","","","5","P -1","-P 1","2","","","","- C44 H41 N5 O8 Zn2 -","- C44 H41 N5 O8 Zn2 -","- C88 H82 N10 O16 Zn4 -","2","1","","Hawes, Chris S.; Knowles, Gregory P.; Chaffee, Alan L.; White, Keith F.; Abrahams, Brendan F.; Batten, Stuart R.; Turner, David R.","Porous Polyrotaxane Coordination Networks Containing Two Distinct Conformers of a Discontinuously Flexible Ligand.","Inorganic chemistry","2016","55","20","10467","10474","10.1021/acs.inorgchem.6b01713","","","0.7109","Synchrotron","","0.1001","0.0699","","","0.1868","0.208","","","","","","1.042","","","","has coordinates,has disorder","233420","2020-10-21","18:00:00",""
"4348837","12.5861","0.0007","20.5884","0.0011","16.689","0.0009","90","","90.488","0.001","90","","4324.4","0.4","294","2","294","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C41 H41 Au N2 O8 Re2 -","- C41 H41 Au N2 O8 Re2 -","- C164 H164 Au4 N8 O32 Re8 -","4","1","","Adams, Richard D.; Dhull, Poonam; Rassolov, Vitaly; Wong, Yuen Onn","Synthesis and Reactivity of Electronically Unsaturated Dirhenium Carbonyl Compounds Containing Bridging Gold-Carbene Groups.","Inorganic chemistry","2016","55","20","10475","10483","10.1021/acs.inorgchem.6b01714","","","0.71073","MoKα","","0.03","0.0245","","","0.0613","0.0646","","","","","","1.026","","","","has coordinates","233421","2020-10-21","18:00:00",""
"4348838","12.4221","0.0005","16.2998","0.0006","16.8304","0.0006","90","","97.224","0.001","90","","3380.7","0.2","294","2","294","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C62 H72 Au2 N4 O8 Re2 -","- C62 H72 Au2 N4 O8 Re2 -","- C124 H144 Au4 N8 O16 Re4 -","2","0.5","","Adams, Richard D.; Dhull, Poonam; Rassolov, Vitaly; Wong, Yuen Onn","Synthesis and Reactivity of Electronically Unsaturated Dirhenium Carbonyl Compounds Containing Bridging Gold-Carbene Groups.","Inorganic chemistry","2016","55","20","10475","10483","10.1021/acs.inorgchem.6b01714","","","0.71073","MoKα","","0.0548","0.0352","","","0.0732","0.0814","","","","","","1.053","","","","has coordinates","233421","2020-10-21","18:00:00",""
"4348839","16.3541","0.001","14.582","0.0009","33.521","0.002","90","","90","","90","","7993.9","0.8","294","2","294","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C35 H37 Au N2 O8 Re2 -","- C35 H37 Au N2 O8 Re2 -","- C280 H296 Au8 N16 O64 Re16 -","8","2","","Adams, Richard D.; Dhull, Poonam; Rassolov, Vitaly; Wong, Yuen Onn","Synthesis and Reactivity of Electronically Unsaturated Dirhenium Carbonyl Compounds Containing Bridging Gold-Carbene Groups.","Inorganic chemistry","2016","55","20","10475","10483","10.1021/acs.inorgchem.6b01714","","","0.71073","MoKα","","0.0491","0.034","","","0.0729","0.0804","","","","","","1.015","","","","has coordinates","233421","2020-10-21","18:00:00",""
"4348840","14.3405","0.001","12.8309","0.0009","22.5612","0.0015","90","","98.161","0.001","90","","4109.3","0.5","294","2","294","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C36 H37 Au N2 O9 Re2 -","- C36 H37 Au N2 O9 Re2 -","- C144 H148 Au4 N8 O36 Re8 -","4","1","","Adams, Richard D.; Dhull, Poonam; Rassolov, Vitaly; Wong, Yuen Onn","Synthesis and Reactivity of Electronically Unsaturated Dirhenium Carbonyl Compounds Containing Bridging Gold-Carbene Groups.","Inorganic chemistry","2016","55","20","10475","10483","10.1021/acs.inorgchem.6b01714","","","0.71073","MoKα","","0.0313","0.0253","","","0.062","0.0659","","","","","","1.063","","","","has coordinates","233421","2020-10-21","18:00:00",""
"4348841","19.3475","0.0009","11.2082","0.0005","37.416","0.0018","90","","94.003","0.001","90","","8093.9","0.7","294","2","294","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C37 H39 Au N2 O8 Re2 -","- C37 H39 Au N2 O8 Re2 -","- C296 H312 Au8 N16 O64 Re16 -","8","2","","Adams, Richard D.; Dhull, Poonam; Rassolov, Vitaly; Wong, Yuen Onn","Synthesis and Reactivity of Electronically Unsaturated Dirhenium Carbonyl Compounds Containing Bridging Gold-Carbene Groups.","Inorganic chemistry","2016","55","20","10475","10483","10.1021/acs.inorgchem.6b01714","","","0.71073","MoKα","","0.0808","0.0526","","","0.1151","0.1319","","","","","","0.855","","","","has coordinates","233421","2020-10-21","18:00:00",""
"4348842","7.8467","0.0003","31.9117","0.0013","17.9901","0.0008","90","","92.6779","0.0011","90","","4499.8","0.3","153","2","153","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H31 I2 N Si -","- C20 H31 I2 N Si -","- C160 H248 I16 N8 Si8 -","8","2","","Li, Yan; Chan, Yuk-Chi; Li, Yongxin; Purushothaman, Indu; De, Susmita; Parameswaran, Pattiyil; So, Cheuk-Wai","Synthesis of a Bent 2-Silaallene with a Perturbed Electronic Structure from a Cyclic Alkyl(amino) Carbene-Diiodosilylene.","Inorganic chemistry","2016","55","17","9091","9098","10.1021/acs.inorgchem.6b01716","","","0.71073","MoKα","","0.0764","0.0381","","","0.0953","0.1372","","","","","","1.086","","","","has coordinates","233423","2020-10-21","18:00:00",""
"4348843","10.0645","0.0019","17.697","0.003","15.512","0.003","90","","90.888","0.004","90","","2762.5","0.9","103","2","103","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C23 H40 I2 N2 Si2 -","- C23 H40 I2 N2 Si2 -","- C92 H160 I8 N8 Si8 -","4","1","","Li, Yan; Chan, Yuk-Chi; Li, Yongxin; Purushothaman, Indu; De, Susmita; Parameswaran, Pattiyil; So, Cheuk-Wai","Synthesis of a Bent 2-Silaallene with a Perturbed Electronic Structure from a Cyclic Alkyl(amino) Carbene-Diiodosilylene.","Inorganic chemistry","2016","55","17","9091","9098","10.1021/acs.inorgchem.6b01716","","","0.71073","MoKα","","0.0992","0.0599","","","0.14","0.1746","","","","","","0.996","","","","has coordinates","233423","2020-10-21","18:00:00",""
"4348844","9.9332","0.0009","12.471","0.0011","16.4044","0.0014","109.388","0.002","97.093","0.002","104.146","0.003","1811.7","0.3","103","2","103","2","","","","","","","","5","P -1","-P 1","2","","","","- C34.5 H55 I2 N3 Si -","- C34.5 H55 I2 N3 Si -","- C69 H110 I4 N6 Si2 -","2","1","","Li, Yan; Chan, Yuk-Chi; Li, Yongxin; Purushothaman, Indu; De, Susmita; Parameswaran, Pattiyil; So, Cheuk-Wai","Synthesis of a Bent 2-Silaallene with a Perturbed Electronic Structure from a Cyclic Alkyl(amino) Carbene-Diiodosilylene.","Inorganic chemistry","2016","55","17","9091","9098","10.1021/acs.inorgchem.6b01716","","","0.71073","MoKα","","0.1424","0.0591","","","0.0858","0.1083","","","","","","0.991","","","","has coordinates,has disorder","233423","2020-10-21","18:00:00",""
"4348845","9.6322","0.0009","15.0447","0.0014","21.449","0.002","78.976","0.002","88.624","0.003","87.02","0.002","3046.5","0.5","103","2","103","2","","","","","","","","4","P -1","-P 1","2","","","","- C31 H51 N3 Si -","- C31 H51 N3 Si -","- C124 H204 N12 Si4 -","4","2","","Li, Yan; Chan, Yuk-Chi; Li, Yongxin; Purushothaman, Indu; De, Susmita; Parameswaran, Pattiyil; So, Cheuk-Wai","Synthesis of a Bent 2-Silaallene with a Perturbed Electronic Structure from a Cyclic Alkyl(amino) Carbene-Diiodosilylene.","Inorganic chemistry","2016","55","17","9091","9098","10.1021/acs.inorgchem.6b01716","","","0.71073","MoKα","","0.1765","0.0891","","","0.1685","0.2102","","","","","","1.015","","","","has coordinates","233423","2020-10-21","18:00:00",""
"4348846","15.9335","0.0004","14.2589","0.0003","18.5741","0.0005","90","","93.9117","0.0011","90","","4210.1","0.18","153","2","153","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C40 H64 I2 N2 Si2 -","- C40 H64 I2 N2 Si2 -","- C160 H256 I8 N8 Si8 -","4","1","","Li, Yan; Chan, Yuk-Chi; Li, Yongxin; Purushothaman, Indu; De, Susmita; Parameswaran, Pattiyil; So, Cheuk-Wai","Synthesis of a Bent 2-Silaallene with a Perturbed Electronic Structure from a Cyclic Alkyl(amino) Carbene-Diiodosilylene.","Inorganic chemistry","2016","55","17","9091","9098","10.1021/acs.inorgchem.6b01716","","","0.71073","MoKα","","0.0774","0.0392","","","0.0762","0.094","","","","","","1.005","","","","has coordinates","233423","2020-10-21","18:00:00",""
"4348847","10.8221","0.0013","8.2063","0.001","27.479","0.003","90","","91.9","0.002","90","","2439.1","0.5","90","2","90","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C25 H42 N2 O Zn -","- C25 H42 N2 O Zn -","- C100 H168 N8 O4 Zn4 -","4","1","","Ebrahimi, Tannaz; Mamleeva, Emiliya; Yu, Insun; Hatzikiriakos, Savvas G.; Mehrkhodavandi, Parisa","The Role of Nitrogen Donors in Zinc Catalysts for Lactide Ring-Opening Polymerization.","Inorganic chemistry","2016","55","18","9445","9453","10.1021/acs.inorgchem.6b01722","","","0.71073","MoKα","","0.032","0.0278","","","0.0688","0.0706","","","","","","1.112","","","","has coordinates","233424","2020-10-21","18:00:00",""
"4348848","8.698","0.003","13.248","0.004","14.936","0.005","67.192","0.006","81.571","0.007","74.512","0.006","1527.1","0.9","90","2","90","2","","","","","","","","5","P -1","-P 1","2","","","","- C35 H46 N2 O Zn -","- C35 H46 N2 O Zn -","- C70 H92 N4 O2 Zn2 -","2","1","","Ebrahimi, Tannaz; Mamleeva, Emiliya; Yu, Insun; Hatzikiriakos, Savvas G.; Mehrkhodavandi, Parisa","The Role of Nitrogen Donors in Zinc Catalysts for Lactide Ring-Opening Polymerization.","Inorganic chemistry","2016","55","18","9445","9453","10.1021/acs.inorgchem.6b01722","","","0.71073","MoKα","","0.046","0.0362","","","0.0801","0.0846","","","","","","1.022","","","","has coordinates,has disorder","233424","2020-10-21","18:00:00",""
"4348849","9.251","0.0016","17.559","0.003","17.356","0.003","90","","98.095","0.004","90","","2791.2","0.8","90","2","90","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C30 H46 N2 O2 Zn -","- C30 H46 N2 O2 Zn -","- C120 H184 N8 O8 Zn4 -","4","1","","Ebrahimi, Tannaz; Mamleeva, Emiliya; Yu, Insun; Hatzikiriakos, Savvas G.; Mehrkhodavandi, Parisa","The Role of Nitrogen Donors in Zinc Catalysts for Lactide Ring-Opening Polymerization.","Inorganic chemistry","2016","55","18","9445","9453","10.1021/acs.inorgchem.6b01722","","","0.71069","MoKα","","0.0282","0.0244","","","0.0629","0.0654","","","","","","1.033","","","","has coordinates","233424","2020-10-21","18:00:00",""
"4348850","10.1201","0.001","12.8255","0.0011","13.2607","0.0013","117.778","0.004","94.59","0.005","104.696","0.004","1432.9","0.2","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C60 H88 N4 O4 Zn2 -","- C60 H88 N4 O4 Zn2 -","- C60 H88 N4 O4 Zn2 -","1","0.5","","Ebrahimi, Tannaz; Mamleeva, Emiliya; Yu, Insun; Hatzikiriakos, Savvas G.; Mehrkhodavandi, Parisa","The Role of Nitrogen Donors in Zinc Catalysts for Lactide Ring-Opening Polymerization.","Inorganic chemistry","2016","55","18","9445","9453","10.1021/acs.inorgchem.6b01722","","","0.71073","MoKα","","0.0722","0.0542","","","0.1287","0.1398","","","","","","1.059","","","","has coordinates","233424","2020-10-21","18:00:00",""
"4348851","14.685","0.004","15.209","0.004","18.275","0.005","109.488","0.006","106.282","0.006","103.098","0.006","3454.6","1.6","90","2","90","2","","","","","","","","5","P -1","-P 1","2","","","","- C80 H96 N4 O4 Zn2 -","- C80 H96 N4 O4 Zn2 -","- C160 H192 N8 O8 Zn4 -","2","1","","Ebrahimi, Tannaz; Mamleeva, Emiliya; Yu, Insun; Hatzikiriakos, Savvas G.; Mehrkhodavandi, Parisa","The Role of Nitrogen Donors in Zinc Catalysts for Lactide Ring-Opening Polymerization.","Inorganic chemistry","2016","55","18","9445","9453","10.1021/acs.inorgchem.6b01722","","","0.71073","MoKα","","0.0557","0.0381","","","0.0886","0.0971","","","","","","1.02","","","","has coordinates,has disorder","233424","2020-10-21","18:00:00",""
"4348852","11.8172","0.0005","15.9905","0.0009","16.8567","0.0009","89.993","0.001","82.361","0.002","72.89","0.001","3014.7","0.3","90","","90","","","","","","","","","5","P -1","-P 1","2","","","","- C31 H48 N2 O2 Zn -","- C31 H48 N2 O2 Zn -","- C124 H192 N8 O8 Zn4 -","4","2","","Ebrahimi, Tannaz; Mamleeva, Emiliya; Yu, Insun; Hatzikiriakos, Savvas G.; Mehrkhodavandi, Parisa","The Role of Nitrogen Donors in Zinc Catalysts for Lactide Ring-Opening Polymerization.","Inorganic chemistry","2016","55","18","9445","9453","10.1021/acs.inorgchem.6b01722","","","0.71073","MoKα","","0.0612","0.0396","","","0.0826","0.0878","","","","","","0.916","","","","has coordinates","254024","2020-10-21","18:00:00",""
"4348853","9.773","0.004","18.025","0.008","14.571","0.006","90","","98.688","0.006","90","","2537.4","1.9","213","2","213","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C46 H80 N12 O2 W2 -","- C46 H80 N12 O2 W2 -","- C92 H160 N24 O4 W4 -","2","0.5","","Chiarella, Gina M.; Feng, Chao; Murillo, Carlos A.; Zhao, Qinliang","Exploring the Intricacies of Weak Interactions in Metal-Metal Bonds Using an Unsymmetrical Carbonyl Precursor and a Triple-Bonded W2(6+) Paddlewheel.","Inorganic chemistry","2016","55","18","9471","9481","10.1021/acs.inorgchem.6b01728","","","0.71073","MoKα","","0.044","0.032","","","0.0733","0.0795","","","","","","1.044","","","","has coordinates,has disorder","233425","2020-10-21","18:00:00",""
"4348854","20.097","0.003","19.113","0.003","34.639","0.006","90","","90","","90","","13305","4","110","2","110","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C47 H86 Cl6 F12 N12 P2 W2 -","- C47 H86 Cl6 F12 N12 P2 W2 -","- C376 H688 Cl48 F96 N96 P16 W16 -","8","1","","Chiarella, Gina M.; Feng, Chao; Murillo, Carlos A.; Zhao, Qinliang","Exploring the Intricacies of Weak Interactions in Metal-Metal Bonds Using an Unsymmetrical Carbonyl Precursor and a Triple-Bonded W2(6+) Paddlewheel.","Inorganic chemistry","2016","55","18","9471","9481","10.1021/acs.inorgchem.6b01728","","","0.71073","MoKα","","0.0868","0.0499","","","0.1121","0.1247","","","","","","1.739","","","","has coordinates,has disorder","233425","2020-10-21","18:00:00",""
"4348855","9.0473","0.0014","11.725","0.002","15.177","0.003","90","","93.842","0.011","90","","1606.4","0.5","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C32 H44 N4 Ni2 O6 -","- C32 H44 N4 Ni2 O6 -","- C64 H88 N8 Ni4 O12 -","2","0.5","","Fondo, Matilde; Doejo, Jesús; García-Deibe, Ana M; Sanmartín-Matalobos, Jesús; Vicente, Ramón; El-Fallah, Mohamed S; Amoza, Martín; Ruiz, Eliseo","Predetermined Ferromagnetic Coupling via Strict Control of M-O-M Angles.","Inorganic chemistry","2016","55","22","11707","11715","10.1021/acs.inorgchem.6b01739","","","0.71073","MoKα","","0.0529","0.0444","","","0.1078","0.1155","","","","","","1.064","","","","has coordinates","233427","2020-10-21","18:00:00",""
"4348856","9.8691","0.0004","8.757","0.0004","18.9882","0.0007","90","","92.231","0.002","90","","1639.79","0.12","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C36 H40 N4 Ni2 O6 -","- C36 H40 N4 Ni2 O6 -","- C72 H80 N8 Ni4 O12 -","2","0.5","","Fondo, Matilde; Doejo, Jesús; García-Deibe, Ana M; Sanmartín-Matalobos, Jesús; Vicente, Ramón; El-Fallah, Mohamed S; Amoza, Martín; Ruiz, Eliseo","Predetermined Ferromagnetic Coupling via Strict Control of M-O-M Angles.","Inorganic chemistry","2016","55","22","11707","11715","10.1021/acs.inorgchem.6b01739","","","0.71073","MoKα","","0.0564","0.0428","","","0.0786","0.0823","","","","","","1.151","","","","has coordinates","233428","2020-10-21","18:00:00",""
"4348857","36.793","0.01","36.793","0.01","36.793","0.01","90","","90","","90","","49808","2","90","2","90","2","","","","","","","","5","F m -3 m","-F 4 2 3","225","networked spin cages","","","- C26 H16 Co N10 S2 -","- C26 H16 Co N10 S2 -","- C624 H384 Co24 N240 S48 -","24","0.125","","Ning, Guo-Hong; Tian, Bingbing; Tan, Li-Min; Ding, Zijing; Herng, Tun Seng; Ding, Jun; Loh, Kian Ping","Networked Spin Cages: Tunable Magnetism and Lithium Ion Storage via Modulation of Spin-Electron Interactions.","Inorganic chemistry","2016","55","19","9892","9897","10.1021/acs.inorgchem.6b01740","","","0.71073","MoKα","","0.2808","0.1486","","","0.379","0.4348","","","","","","2.004","","","","has coordinates","233430","2020-10-21","18:00:00",""
"4348858","31.969","0.008","10.512","0.003","29.754","0.008","90","","90","","90","","9999","5","153","2","153","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C106 H152 K2 N6 O8 -","- C106 H146 K2 N6 O8 -","- C424 H584 K8 N24 O32 -","4","1","","Zhong, Fei; Yang, Xiaodong; Shen, Lingyi; Zhao, Yanxia; Ma, Hongwei; Wu, Biao; Yang, Xiao-Juan","Multinuclear Alkali Metal Complexes of a Triphenylene-Based Hexamine and the Transmetalation to Tris(N-heterocyclic tetrylenes) (Ge, Sn, Pb).","Inorganic chemistry","2016","55","17","9112","9120","10.1021/acs.inorgchem.6b01743","","","0.71073","MoKα","","0.1464","0.0945","","","0.1944","0.2182","","","","","","1.146","","","","has coordinates","233432","2020-10-21","18:00:00",""
"4348859","13.679","0.002","37.518","0.007","23.728","0.004","90","","104.405","0.002","90","","11795","3","153","2","153","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C132 H156 N6 Pb3 -","- C132 H156 N6 Pb3 -","- C528 H624 N24 Pb12 -","4","1","","Zhong, Fei; Yang, Xiaodong; Shen, Lingyi; Zhao, Yanxia; Ma, Hongwei; Wu, Biao; Yang, Xiao-Juan","Multinuclear Alkali Metal Complexes of a Triphenylene-Based Hexamine and the Transmetalation to Tris(N-heterocyclic tetrylenes) (Ge, Sn, Pb).","Inorganic chemistry","2016","55","17","9112","9120","10.1021/acs.inorgchem.6b01743","","","0.71073","MoKα","","0.1269","0.0732","","","0.156","0.1756","","","","","","1.147","","","","has coordinates","233434","2020-10-21","18:00:00",""
"4348860","16.792","0.003","22.379","0.004","33.35","0.006","90","","103.396","0.002","90","","12192","4","153","2","153","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C125 H186 Li6 N6 O14 -","- C125 H186 Li6 N6 O14 -","- C500 H744 Li24 N24 O56 -","4","1","","Zhong, Fei; Yang, Xiaodong; Shen, Lingyi; Zhao, Yanxia; Ma, Hongwei; Wu, Biao; Yang, Xiao-Juan","Multinuclear Alkali Metal Complexes of a Triphenylene-Based Hexamine and the Transmetalation to Tris(N-heterocyclic tetrylenes) (Ge, Sn, Pb).","Inorganic chemistry","2016","55","17","9112","9120","10.1021/acs.inorgchem.6b01743","","","0.71073","MoKα","","0.1843","0.0844","","","0.1729","0.2108","","","","","","1.133","","","","has coordinates","233436","2020-10-21","18:00:00",""
"4348861","18.473","0.005","23.229","0.006","28.377","0.007","89.694","0.004","88.26","0.004","70.273","0.004","11457","5","153","2","153","","","","","","","","","5","P -1","-P 1","2","","","","- C466 H710 N24 Na8 O44 -","- C463 H596 N24 Na8 O44.4 -","- C463 H596 N24 Na8 O44.4 -","1","0.5","","Zhong, Fei; Yang, Xiaodong; Shen, Lingyi; Zhao, Yanxia; Ma, Hongwei; Wu, Biao; Yang, Xiao-Juan","Multinuclear Alkali Metal Complexes of a Triphenylene-Based Hexamine and the Transmetalation to Tris(N-heterocyclic tetrylenes) (Ge, Sn, Pb).","Inorganic chemistry","2016","55","17","9112","9120","10.1021/acs.inorgchem.6b01743","","","0.71073","MOKα","","0.2488","0.1047","","","0.2111","0.2635","","","","","","1.021","","","","has coordinates","233437","2020-10-21","18:00:00",""
"4348862","16.813","0.006","26.712","0.009","21.678","0.007","90","","106.172","0.005","90","","9351","5","153","2","153","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C97 H116 Ge3 N6 -","- C97 H116 Ge3 N6 -","- C388 H464 Ge12 N24 -","4","1","","Zhong, Fei; Yang, Xiaodong; Shen, Lingyi; Zhao, Yanxia; Ma, Hongwei; Wu, Biao; Yang, Xiao-Juan","Multinuclear Alkali Metal Complexes of a Triphenylene-Based Hexamine and the Transmetalation to Tris(N-heterocyclic tetrylenes) (Ge, Sn, Pb).","Inorganic chemistry","2016","55","17","9112","9120","10.1021/acs.inorgchem.6b01743","","","0.71073","MoKα","","0.1044","0.0739","","","0.1565","0.1667","","","","","","1.127","","","","has coordinates","233439","2020-10-21","18:00:00",""
"4348863","16.526","0.004","16.626","0.003","20.31","0.003","80.99","0.002","86.881","0.002","60.471","0.001","4793.9","1.6","153","2","153","2","","","","","","","","4","P -1","-P 1","2","","","","- C97 H116 N6 Sn3 -","- C97 H108 N6 Sn3 -","- C194 H216 N12 Sn6 -","2","1","","Zhong, Fei; Yang, Xiaodong; Shen, Lingyi; Zhao, Yanxia; Ma, Hongwei; Wu, Biao; Yang, Xiao-Juan","Multinuclear Alkali Metal Complexes of a Triphenylene-Based Hexamine and the Transmetalation to Tris(N-heterocyclic tetrylenes) (Ge, Sn, Pb).","Inorganic chemistry","2016","55","17","9112","9120","10.1021/acs.inorgchem.6b01743","","","0.71073","MoKα","","0.055","0.0476","","","0.1208","0.1243","","","","","","0.971","","","","has coordinates,has disorder","233440","2020-10-21","18:00:00",""
"4348864","18.205","0.003","21.759","0.004","30.886","0.006","90","","95.18","0.002","90","","12185","4","153","2","153","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C114 H171 K3 N6 O12 -","- C114 H171 K3 N6 O12 -","- C456 H684 K12 N24 O48 -","4","1","","Zhong, Fei; Yang, Xiaodong; Shen, Lingyi; Zhao, Yanxia; Ma, Hongwei; Wu, Biao; Yang, Xiao-Juan","Multinuclear Alkali Metal Complexes of a Triphenylene-Based Hexamine and the Transmetalation to Tris(N-heterocyclic tetrylenes) (Ge, Sn, Pb).","Inorganic chemistry","2016","55","17","9112","9120","10.1021/acs.inorgchem.6b01743","","","0.71073","MoKα","","0.1408","0.0831","","","0.1741","0.1929","","","","","","1.015","","","","has coordinates","233441","2020-10-21","18:00:00",""
"4348865","7.7334","0.0002","22.8741","0.0009","13.6999","0.0005","90","","93.14","0.002","90","","2419.8","0.14","173","2","173","2","","","","","","","synthesis as described","7","P 1 21/n 1","-P 2yn","14","dpg47re226","","","- C21 H10 Au B F10 N6 Pb -","- C21 H10 Au B F10 N6 Pb -","- C84 H40 Au4 B4 F40 N24 Pb4 -","4","1","","Echeverría, Raquel; López-de-Luzuriaga, José M; Monge, Miguel; Moreno, Sonia; Olmos, M. Elena","New Insights into the Au(I)···Pb(II) Closed-Shell Interaction: Tuning of the Emissive Properties with the Intermetallic Distance.","Inorganic chemistry","2016","55","20","10523","10534","10.1021/acs.inorgchem.6b01749","","x-ray","0.71073","MoKα","","0.065","0.037","","","0.0742","0.0835","","","","","","0.981","","","","has coordinates","233442","2020-10-21","18:00:00",""
"4348866","26.1538","0.0012","15.0817","0.0007","18.841","0.0008","90","","132.819","0.002","90","","5451.2","0.5","173","2","173","2","","","","","","","synthesis as described","8","C 1 2/c 1","-C 2yc","15","dpg49re228","","","- C21 H10 Au B Cl4 F6 N6 Pb -","- C21 H10 Au B Cl4 F6 N6 Pb -","- C168 H80 Au8 B8 Cl32 F48 N48 Pb8 -","8","1","","Echeverría, Raquel; López-de-Luzuriaga, José M; Monge, Miguel; Moreno, Sonia; Olmos, M. Elena","New Insights into the Au(I)···Pb(II) Closed-Shell Interaction: Tuning of the Emissive Properties with the Intermetallic Distance.","Inorganic chemistry","2016","55","20","10523","10534","10.1021/acs.inorgchem.6b01749","","x-ray","0.71073","MoKα","","0.0854","0.0426","","","0.0844","0.098","","","","","","0.999","","","","has coordinates","233443","2020-10-21","18:00:00",""
"4348867","12.1397","0.0011","12.3267","0.0011","14.532","0.0014","107.347","0.006","93.129","0.007","113.264","0.005","1869.7","0.3","296","2","296.15","","","","","","","","","6","P -1","-P 1","2","","","","- C41 H31 B F2 N6 O8 -","- C41 H31 B F2 N6 O8 -","- C82 H62 B2 F4 N12 O16 -","2","1","","Dhanunjayarao, Kunchala; Mukundam, Vanga; Venkatasubbaiah, Krishnan","Tetracoordinate Imidazole-Based Boron Complexes for the Selective Detection of Picric Acid.","Inorganic chemistry","2016","55","21","11153","11159","10.1021/acs.inorgchem.6b01767","","","0.71073","MoKα","","0.1071","0.0618","","","0.1778","0.2106","","","","","","1.042","","","","has coordinates","233444","2020-10-21","18:00:00",""
"4348868","14.914","0.004","23.507","0.008","9.261","0.004","90","","90","","90","","3247","2","100","2","100","2","","","","","","","","6","F d d 2","F 2 -2d","43","","","","- C5 H13 Cl2 Fe2 N O12 -","- C5 Cl2 Fe2 N O12 -","- C40 Cl16 Fe16 N8 O96 -","8","0.5","","Mastropietro, Teresa F.; Marino, Nadia; Munno, Giovanni De; Lloret, Francesc; Julve, Miguel; Pardo, Emilio; Armentano, Donatella","Selective Guest Inclusion in Oxalate-Based Iron(III) Magnetic Coordination Polymers.","Inorganic chemistry","2016","55","21","11160","11169","10.1021/acs.inorgchem.6b01769","","","0.71073","MoKα","","0.0417","0.0382","","","0.1048","0.1144","","","","","","1.006","","","","has coordinates","233445","2020-10-21","18:00:00",""
"4348869","10.7832","0.0007","13.9135","0.001","13.0578","0.0009","90","","104.06","0.003","90","","1900.4","0.2","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C12 H34 Cl8 Fe4 N4 O21 -","- C12 H32 Cl8 Fe4 N4 O21 -","- C24 H64 Cl16 Fe8 N8 O42 -","2","0.5","","Mastropietro, Teresa F.; Marino, Nadia; Munno, Giovanni De; Lloret, Francesc; Julve, Miguel; Pardo, Emilio; Armentano, Donatella","Selective Guest Inclusion in Oxalate-Based Iron(III) Magnetic Coordination Polymers.","Inorganic chemistry","2016","55","21","11160","11169","10.1021/acs.inorgchem.6b01769","","","0.71073","MoKα","","0.0435","0.0337","","","0.077","0.0814","","","","","","1.142","","","","has coordinates","233446","2020-10-21","18:00:00",""
"4348870","8.945","0.003","14.936","0.005","12.408","0.005","90","","108.531","0.008","90","","1571.8","1","100","2","100","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C5 H13 Cl2 Fe2 N O12 -","- C5 H13 Cl2 Fe2 N O12 -","- C20 H52 Cl8 Fe8 N4 O48 -","4","1","","Mastropietro, Teresa F.; Marino, Nadia; Munno, Giovanni De; Lloret, Francesc; Julve, Miguel; Pardo, Emilio; Armentano, Donatella","Selective Guest Inclusion in Oxalate-Based Iron(III) Magnetic Coordination Polymers.","Inorganic chemistry","2016","55","21","11160","11169","10.1021/acs.inorgchem.6b01769","","","0.71073","MoKα","","0.0572","0.0556","","","0.1557","0.157","","","","","","1.075","","","","has coordinates","233447","2020-10-21","18:00:00",""
"4348871","8.725","0.002","7.5076","0.0019","9.026","0.003","90","","112.421","0.007","90","","546.5","0.3","294","2","294","2","","","","","","","","7","P 1 21/m 1","-P 2yb","11","","","","- C3 H8 Cl3 Fe K N O5 -","- C3 H6 Cl3 Fe K N O5 -","- C6 H12 Cl6 Fe2 K2 N2 O10 -","2","0.5","","Mastropietro, Teresa F.; Marino, Nadia; Munno, Giovanni De; Lloret, Francesc; Julve, Miguel; Pardo, Emilio; Armentano, Donatella","Selective Guest Inclusion in Oxalate-Based Iron(III) Magnetic Coordination Polymers.","Inorganic chemistry","2016","55","21","11160","11169","10.1021/acs.inorgchem.6b01769","","","0.71073","MoKα","","0.0413","0.0391","","","0.1021","0.1038","","","","","","1.087","","","","has coordinates","233449","2020-10-21","18:00:00",""
"4348872","14.1037","0.001","14.1037","0.001","31.38","0.002","90","","90","","120","","5405.7","0.6","296","2","296","2","","","","","","","","7","R -3 :H","-R 3","148","","","","- C60 H48 Ag6 Br11 Fe2 K2 N12 -","- C60 H48 Ag6 Br11 Fe2 K2 N12 -","- C180 H144 Ag18 Br33 Fe6 K6 N36 -","3","0.166667","","Yue, Cheng-Yang; Lei, Xiao-Wu; Han, Yong-Fang; Lu, Xin-Xiu; Tian, Ya-Wei; Xu, Jing; Liu, Xiao-Fan; Xu, Xin","Transition-Metal-Complex Cationic Dyes Photosensitive to Two Types of 2D Layered Silver Bromides with Visible-Light-Driven Photocatalytic Properties.","Inorganic chemistry","2016","55","23","12193","12203","10.1021/acs.inorgchem.6b01770","","","0.71073","MoKα","","0.0792","0.0639","","","0.1711","0.1831","","","","","","1.042","","","","has coordinates","233450","2020-10-21","18:00:00",""
"4348873","14.195","0.004","14.195","0.004","30.752","0.009","90","","90","","120","","5366","3","296","2","296","2","","","","","","","","7","R -3 :H","-R 3","148","","","","- C60 H48 Ag6 Br11 K N12 Ni2 -","- C60 H48 Ag6 Br11 K N12 Ni2 -","- C180 H144 Ag18 Br33 K3 N36 Ni6 -","3","0.166667","","Yue, Cheng-Yang; Lei, Xiao-Wu; Han, Yong-Fang; Lu, Xin-Xiu; Tian, Ya-Wei; Xu, Jing; Liu, Xiao-Fan; Xu, Xin","Transition-Metal-Complex Cationic Dyes Photosensitive to Two Types of 2D Layered Silver Bromides with Visible-Light-Driven Photocatalytic Properties.","Inorganic chemistry","2016","55","23","12193","12203","10.1021/acs.inorgchem.6b01770","","","0.71073","MoKα","","0.0552","0.0345","","","0.072","0.0788","","","","","","1.02","","","","has coordinates","233451","2020-10-21","18:00:00",""
"4348874","14.1784","0.0014","14.1784","0.0014","30.746","0.003","90","","90","","120","","5352.7","0.9","296","2","296","2","","","","","","","","7","R -3 :H","-R 3","148","","","","- C60 H48 Ag6 Br11 Co2 K N12 -","- C60 H48 Ag6 Br11 Co2 K N12 -","- C180 H144 Ag18 Br33 Co6 K3 N36 -","3","0.166667","","Yue, Cheng-Yang; Lei, Xiao-Wu; Han, Yong-Fang; Lu, Xin-Xiu; Tian, Ya-Wei; Xu, Jing; Liu, Xiao-Fan; Xu, Xin","Transition-Metal-Complex Cationic Dyes Photosensitive to Two Types of 2D Layered Silver Bromides with Visible-Light-Driven Photocatalytic Properties.","Inorganic chemistry","2016","55","23","12193","12203","10.1021/acs.inorgchem.6b01770","","","0.71073","MoKα","","0.0453","0.0307","","","0.0652","0.0691","","","","","","1.136","","","","has coordinates","233453","2020-10-21","18:00:00",""
"4348875","13.558","0.001","22.2467","0.0017","28.65","0.002","90","","90","","90","","8641.4","1.1","293","2","296","2","","","","","","","","6","P c c a","-P 2a 2ac","54","","","","- C60 H48 Ag13 Br17 N12 Ni2 -","- C60 H48 Ag13 Br17 N12 Ni2 -","- C240 H192 Ag52 Br68 N48 Ni8 -","4","0.5","","Yue, Cheng-Yang; Lei, Xiao-Wu; Han, Yong-Fang; Lu, Xin-Xiu; Tian, Ya-Wei; Xu, Jing; Liu, Xiao-Fan; Xu, Xin","Transition-Metal-Complex Cationic Dyes Photosensitive to Two Types of 2D Layered Silver Bromides with Visible-Light-Driven Photocatalytic Properties.","Inorganic chemistry","2016","55","23","12193","12203","10.1021/acs.inorgchem.6b01770","","","0.71073","MoKα","","0.1294","0.0629","","","0.1341","0.1619","","","","","","1.018","","","","has coordinates","233454","2020-10-21","18:00:00",""
"4348876","13.4518","0.0008","22.1531","0.0013","28.5598","0.0017","90","","90","","90","","8510.8","0.9","296","2","296","2","","","","","","","","6","P c c a","-P 2a 2ac","54","","","","- C60 H48 Ag13 Br17 Fe2 N12 -","- C60 H48 Ag13 Br17 Fe2 N12 -","- C240 H192 Ag52 Br68 Fe8 N48 -","4","0.5","","Yue, Cheng-Yang; Lei, Xiao-Wu; Han, Yong-Fang; Lu, Xin-Xiu; Tian, Ya-Wei; Xu, Jing; Liu, Xiao-Fan; Xu, Xin","Transition-Metal-Complex Cationic Dyes Photosensitive to Two Types of 2D Layered Silver Bromides with Visible-Light-Driven Photocatalytic Properties.","Inorganic chemistry","2016","55","23","12193","12203","10.1021/acs.inorgchem.6b01770","","","0.71073","MoKα","","0.1116","0.0581","","","0.1442","0.1714","","","","","","1.029","","","","has coordinates","233455","2020-10-21","18:00:00",""
"4348877","13.5393","0.0009","22.1749","0.0015","28.5403","0.0019","90","","90","","90","","8568.7","1","296","2","296","2","","","","","","","","6","P c c a","-P 2a 2ac","54","","","","- C60 H44 Ag13 Br17 Co2 N12 -","- C60 H44 Ag13 Br17 Co2 N12 -","- C240 H176 Ag52 Br68 Co8 N48 -","4","0.5","","Yue, Cheng-Yang; Lei, Xiao-Wu; Han, Yong-Fang; Lu, Xin-Xiu; Tian, Ya-Wei; Xu, Jing; Liu, Xiao-Fan; Xu, Xin","Transition-Metal-Complex Cationic Dyes Photosensitive to Two Types of 2D Layered Silver Bromides with Visible-Light-Driven Photocatalytic Properties.","Inorganic chemistry","2016","55","23","12193","12203","10.1021/acs.inorgchem.6b01770","","","0.71073","MoKα","","0.1141","0.06","","","0.1572","0.1893","","","","","","1.032","","","","has coordinates","233457","2020-10-21","18:00:00",""
"4348878","13.6525","0.0006","22.3249","0.0009","28.6791","0.0012","90","","90","","90","","8741.1","0.6","296","2","296","2","","","","","","","","6","P c c a","-P 2a 2ac","54","","","","- C60 H48 Ag13 Br17 N12 Zn2 -","- C60 H48 Ag13 Br17 N12 Zn2 -","- C240 H192 Ag52 Br68 N48 Zn8 -","4","0.5","","Yue, Cheng-Yang; Lei, Xiao-Wu; Han, Yong-Fang; Lu, Xin-Xiu; Tian, Ya-Wei; Xu, Jing; Liu, Xiao-Fan; Xu, Xin","Transition-Metal-Complex Cationic Dyes Photosensitive to Two Types of 2D Layered Silver Bromides with Visible-Light-Driven Photocatalytic Properties.","Inorganic chemistry","2016","55","23","12193","12203","10.1021/acs.inorgchem.6b01770","","","0.71073","MoKα","","0.1076","0.0577","","","0.1408","0.1652","","","","","","1.016","","","","has coordinates","233458","2020-10-21","18:00:00",""
"4348879","14.2015","0.0011","14.2015","0.0011","30.753","0.002","90","","90","","120","","5371.4","0.7","296","2","296","2","","","","","","","","7","R -3 :H","-R 3","148","","","","- C60 H48 Ag6 Br11 K N12 Zn2 -","- C60 H48 Ag6 Br11 K N12 Zn2 -","- C180 H144 Ag18 Br33 K3 N36 Zn6 -","3","0.166667","","Yue, Cheng-Yang; Lei, Xiao-Wu; Han, Yong-Fang; Lu, Xin-Xiu; Tian, Ya-Wei; Xu, Jing; Liu, Xiao-Fan; Xu, Xin","Transition-Metal-Complex Cationic Dyes Photosensitive to Two Types of 2D Layered Silver Bromides with Visible-Light-Driven Photocatalytic Properties.","Inorganic chemistry","2016","55","23","12193","12203","10.1021/acs.inorgchem.6b01770","","","0.71073","MoKα","","0.05","0.0343","","","0.0819","0.088","","","","","","1.045","","","","has coordinates","233460","2020-10-21","18:00:00",""
"4348880","12.454","0.003","6.104","0.0012","25.231","0.005","90","","90","","90","","1918","0.7","180","2","180","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C7 Cl F4 N2 Se2 -","- C7 Cl F4 N2 Se2 -","- C56 Cl8 F32 N16 Se16 -","8","2","","Melen, Rebecca L.; Less, Robert J.; Pask, Christopher M.; Rawson, Jeremy M.","Structural Studies of Perfluoroaryldiselenadiazolyl Radicals: Insights into Dithiadiazolyl Chemistry.","Inorganic chemistry","2016","55","22","11747","11759","10.1021/acs.inorgchem.6b01771","","","0.71073","MoKα","","0.1994","0.1228","","0.3416","","0.2819","","","1.045","","","1.17","","","","has coordinates","233462","2020-10-21","18:00:00",""
"4348881","9.3532","0.0009","14.888","0.0015","16.8973","0.0011","112.901","0.005","97.942","0.006","102.909","0.005","2045.2","0.3","180","2","180","2","","","","","","","","5","P -1","-P 1","2","","","","- C10 H2 F9 N2 Se2 -","- C10 H2 F9 N2 Se2 -","- C60 H12 F54 N12 Se12 -","6","3","","Melen, Rebecca L.; Less, Robert J.; Pask, Christopher M.; Rawson, Jeremy M.","Structural Studies of Perfluoroaryldiselenadiazolyl Radicals: Insights into Dithiadiazolyl Chemistry.","Inorganic chemistry","2016","55","22","11747","11759","10.1021/acs.inorgchem.6b01771","","","0.71073","MoKα","","0.1454","0.0725","","","0.1615","0.1889","","","","","","1.028","","","","has coordinates","233463","2020-10-21","18:00:00",""
"4348882","10.522","0.0006","11.0414","0.0005","11.874","0.0005","62.321","0.003","89.584","0.003","63.769","0.003","1061.22","0.11","180","2","180","2","","","","","","","","4","P -1","-P 1","2","","","","- C8 F7 N2 Se2 -","- C8 F7 N2 Se2 -","- C32 F28 N8 Se8 -","4","2","","Melen, Rebecca L.; Less, Robert J.; Pask, Christopher M.; Rawson, Jeremy M.","Structural Studies of Perfluoroaryldiselenadiazolyl Radicals: Insights into Dithiadiazolyl Chemistry.","Inorganic chemistry","2016","55","22","11747","11759","10.1021/acs.inorgchem.6b01771","","","0.71073","MoKα","","0.064","0.0506","","","0.1311","0.1421","","","","","","1.067","","","","has coordinates,has disorder","233464","2020-10-21","18:00:00",""
"4348883","10.8009","0.0011","10.8843","0.0016","11.1355","0.0018","62.624","0.007","64.267","0.009","63.07","0.009","993.3","0.3","220","2","220","2","","","","","","","","5","P -1","-P 1","2","","","","- C7 F4 N3 O2 Se2 -","- C7 F4 N3 O2 Se2 -","- C28 F16 N12 O8 Se8 -","4","2","","Melen, Rebecca L.; Less, Robert J.; Pask, Christopher M.; Rawson, Jeremy M.","Structural Studies of Perfluoroaryldiselenadiazolyl Radicals: Insights into Dithiadiazolyl Chemistry.","Inorganic chemistry","2016","55","22","11747","11759","10.1021/acs.inorgchem.6b01771","","","0.7107","MoKα","","0.1655","0.1124","","","0.3156","0.3642","","","","","","1.106","","","","has coordinates","233466","2020-10-21","18:00:00",""
"4348884","10.812","0.009","10.811","0.002","15.502","0.01","90","","93.41","0.06","90","","1808.8","1.9","150","2","150","2","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","","","- C7 F5 N2 Se2 -","- C7 F5 N2 Se2 -","- C56 F40 N16 Se16 -","8","1","","Melen, Rebecca L.; Less, Robert J.; Pask, Christopher M.; Rawson, Jeremy M.","Structural Studies of Perfluoroaryldiselenadiazolyl Radicals: Insights into Dithiadiazolyl Chemistry.","Inorganic chemistry","2016","55","22","11747","11759","10.1021/acs.inorgchem.6b01771","","","0.71069","MoKα","","0.0757","0.0416","","","0.0884","0.1026","","","","","","1.074","","","","has coordinates","233467","2020-10-21","18:00:00",""
"4348885","12.229","0.0005","13.6519","0.0005","25.4521","0.001","83.478","0.002","84.513","0.002","76.166","0.002","4088.9","0.3","100","1","100","1","","","","","","","","5","P -1","-P 1","2","","","","- C44 H60 Ce N4 O6 -","- C44 H60 Ce N4 O6 -","- C176 H240 Ce4 N16 O24 -","4","2","","Levin, Jessica R.; Dorfner, Walter L.; Dai, Alan X.; Carroll, Patrick J.; Schelter, Eric J.","Density Functional Theory as a Predictive Tool for Cerium Redox Properties in Nonaqueous Solvents.","Inorganic chemistry","2016","55","24","12651","12659","10.1021/acs.inorgchem.6b01779","","","0.71073","MoKα","","0.0358","0.0313","","","0.0739","0.0755","","","","","","1.189","","","","has coordinates","254024","2020-10-21","18:00:00",""
"4348892","11.9004","0.0019","10.5394","0.0017","16.501","0.003","90","","102.795","0.003","90","","2018.2","0.6","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H18 Dy N7 O9 -","- C14 H18 Dy N7 O9 -","- C56 H72 Dy4 N28 O36 -","4","1","","Sun, Lin; Zhang, Sheng; Qiao, Chengfang; Chen, Sanping; Yin, Bing; Wang, Wenyuan; Wei, Qing; Xie, Gang; Gao, Shengli","Fine-Tuning of the Coordination Environment To Regulate the Magnetic Behavior in Solvent/Anion-Dependent Dy<sup>III</sup> Compounds: Synthesis, Structure, Magnetism, and Ab Initio Calculations.","Inorganic chemistry","2016","55","20","10587","10596","10.1021/acs.inorgchem.6b01803","","","0.71073","MoKα","","0.0561","0.0384","","","0.0824","0.0893","","","","","","0.987","","","","has coordinates","233472","2020-10-21","18:00:00",""
"4348895","13.984","0.004","14.545","0.004","16.819","0.004","90","","95.306","0.004","90","","3406.3","1.6","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C24 H38 Cl3 Dy N10 O10 -","- C24 H38 Cl3 Dy N10 O10 -","- C96 H152 Cl12 Dy4 N40 O40 -","4","0.5","","Sun, Lin; Zhang, Sheng; Qiao, Chengfang; Chen, Sanping; Yin, Bing; Wang, Wenyuan; Wei, Qing; Xie, Gang; Gao, Shengli","Fine-Tuning of the Coordination Environment To Regulate the Magnetic Behavior in Solvent/Anion-Dependent Dy<sup>III</sup> Compounds: Synthesis, Structure, Magnetism, and Ab Initio Calculations.","Inorganic chemistry","2016","55","20","10587","10596","10.1021/acs.inorgchem.6b01803","","","0.71073","MoKα","","0.0568","0.0528","","","0.1518","0.1591","","","","","","1.084","","","","has coordinates","233474","2020-10-21","18:00:00",""
"4348898","7.6971","0.0009","20.91","0.003","13.1939","0.0015","90","","101.94","0.002","90","","2077.6","0.5","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H20 Dy N7 O12 -","- C12 H20 Dy N7 O12 -","- C48 H80 Dy4 N28 O48 -","4","1","","Sun, Lin; Zhang, Sheng; Qiao, Chengfang; Chen, Sanping; Yin, Bing; Wang, Wenyuan; Wei, Qing; Xie, Gang; Gao, Shengli","Fine-Tuning of the Coordination Environment To Regulate the Magnetic Behavior in Solvent/Anion-Dependent Dy<sup>III</sup> Compounds: Synthesis, Structure, Magnetism, and Ab Initio Calculations.","Inorganic chemistry","2016","55","20","10587","10596","10.1021/acs.inorgchem.6b01803","","","0.71073","MoKα","","0.0465","0.0357","","","0.0898","0.1007","","","","","","1.058","","","","has coordinates","233476","2020-10-21","18:00:00",""
"4348903","20.896","0.004","7.3872","0.0015","31.834","0.004","90","","124.636","0.009","90","","4043.1","1.3","296","2","296.15","","","","","","","","","6","P 1 2/c 1","-P 2yc","13","","","","- C72 H40 F24 N6 O19 Zn5 -","- C72 H40 F24 N6 O18 Zn5 -","- C144 H80 F48 N12 O36 Zn10 -","2","0.5","","Hou, Bing-Lei; Tian, Dan; Liu, Jiang; Dong, Long-Zhang; Li, Shun-Li; Li, Dong-Sheng; Lan, Ya-Qian","A Water-Stable Metal-Organic Framework for Highly Sensitive and Selective Sensing of Fe<sup>3+</sup> Ion.","Inorganic chemistry","2016","55","20","10580","10586","10.1021/acs.inorgchem.6b01809","","","0.71073","MoKα","","0.1108","0.0801","","","0.1932","0.2086","","","","","","1.065","","","","has coordinates","233479","2020-10-21","18:00:00",""
"4348905","11.02","0.002","6.95","0.0014","12.2","0.002","90","","93.3","0.03","90","","932.8","0.3","153","2","153","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C16 H9 Eu O14 -","- C16 H9 Eu O14 -","- C32 H18 Eu2 O28 -","2","1","","Wang, Jian; Jiang, Min; Yan, Ling; Peng, Ren; Huangfu, Mengjie; Guo, Xinxin; Li, Yang; Wu, Pengyan","Multifunctional Luminescent Eu(III)-Based Metal-Organic Framework for Sensing Methanol and Detection and Adsorption of Fe(III) Ions in Aqueous Solution.","Inorganic chemistry","2016","55","24","12660","12668","10.1021/acs.inorgchem.6b01815","","","0.71073","MoKα","","0.0689","0.0634","","","0.1788","0.1984","","","","","","1.03","","","","has coordinates,has disorder","233481","2020-10-21","18:00:00",""
"4348907","23.4283","0.0005","8.7875","0.0001","28.3331","0.0006","90","","111.604","0.002","90","","5423.34","0.19","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C36 H24 Ag2 Au2 Cl20 S6 -","- C36 H24 Ag2 Au2 Cl20 S6 -","- C144 H96 Ag8 Au8 Cl80 S24 -","4","0.5","","Donamaría, Rocío; Gimeno, M Concepción; Lippolis, Vito; López-de-Luzuriaga, José M; Monge, Miguel; Olmos, M. Elena","Tuning the Luminescent Properties of a Ag/Au Tetranuclear Complex Featuring Metallophilic Interactions via Solvent-Dependent Structural Isomerization.","Inorganic chemistry","2016","55","21","11299","11310","10.1021/acs.inorgchem.6b01819","","","0.71073","MoKα","","0.0175","0.0167","","","0.0398","0.0401","","","","","","1.12","","","","has coordinates","233483","2020-10-21","18:00:00",""
"4348909","24.2987","0.0008","15.534","0.0004","17.1549","0.0005","90","","124.092","0.001","90","","5362.4","0.3","173","2","173","2","","","","","","","synthesis as described","6","C 1 2/c 1","-C 2yc","15","","","","- C36 H24 Ag2 Au2 Cl20 S6 -","- C36 H24 Ag2 Au2 Cl20 S6 -","- C144 H96 Ag8 Au8 Cl80 S24 -","4","0.5","","Donamaría, Rocío; Gimeno, M Concepción; Lippolis, Vito; López-de-Luzuriaga, José M; Monge, Miguel; Olmos, M. Elena","Tuning the Luminescent Properties of a Ag/Au Tetranuclear Complex Featuring Metallophilic Interactions via Solvent-Dependent Structural Isomerization.","Inorganic chemistry","2016","55","21","11299","11310","10.1021/acs.inorgchem.6b01819","","x-ray","0.71073","MoKα","","0.0399","0.0276","","","0.0572","0.0607","","","","","","1.04","","","","has coordinates","233485","2020-10-21","18:00:00",""
"4348910","16.61","0.002","13.005","0.0015","19.064","0.002","90","","101.603","0.002","90","","4033.9","0.8","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C37 H49 B16 Co P -","- C37 H49 B16 Co P -","- C148 H196 B64 Co4 P4 -","4","1","","Balagurova, Elena V.; Pisareva, Irina V.; Smol'yakov, Alexander F.; Dolgushin, Fedor M.; Godovikov, Ivan A.; Chizhevsky, Igor T.","Distorted commo-Cobaltacarboranes Based on the 5,6-Dicarba-nido-decaborane(12): The First Bimetal Cobalt-Copper Zwitterion-Containing Cluster with Four (B-H)<sub>4</sub>···Cu Bonds Not Showing Fluxional Behavior in Solution.","Inorganic chemistry","2016","55","21","11193","11200","10.1021/acs.inorgchem.6b01823","","","0.71073","MoKα","","0.0852","0.0517","","","0.1069","0.1216","","","","","","1.011","","","","has coordinates,has disorder","233486","2020-10-21","18:00:00",""
"4348911","10.3124","0.0005","29.0028","0.0014","12.2419","0.0006","90","","108.778","0.001","90","","3466.5","0.3","120","2","120","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C28 H41 B16 Co Cu P -","- C28 H41 B16 Co Cu P -","- C112 H164 B64 Co4 Cu4 P4 -","4","1","","Balagurova, Elena V.; Pisareva, Irina V.; Smol'yakov, Alexander F.; Dolgushin, Fedor M.; Godovikov, Ivan A.; Chizhevsky, Igor T.","Distorted commo-Cobaltacarboranes Based on the 5,6-Dicarba-nido-decaborane(12): The First Bimetal Cobalt-Copper Zwitterion-Containing Cluster with Four (B-H)<sub>4</sub>···Cu Bonds Not Showing Fluxional Behavior in Solution.","Inorganic chemistry","2016","55","21","11193","11200","10.1021/acs.inorgchem.6b01823","","","0.71073","MoKα","","0.0679","0.0517","","","0.1121","0.1225","","","","","","1.036","","","","has coordinates","233486","2020-10-21","18:00:00",""
"4348916","18.031","0.005","11.522","0.003","16.951","0.005","90","","94.604","0.017","90","","3510.3","1.7","273","","273","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C82 H72 B2 N2 O4 Pt2 S2 -","- C82 H72 B2 N2 O4 Pt2 S1.4 -","- C164 H144 B4 N4 O8 Pt4 S2.8 -","2","0.5","","Rajendra Kumar, George; Thilagar, Pakkirisamy","Tuning the Phosphorescence and Solid State Luminescence of Triarylborane-Functionalized Acetylacetonato Platinum Complexes.","Inorganic chemistry","2016","55","23","12220","12229","10.1021/acs.inorgchem.6b01827","","","0.71073","MoKα","","0.1284","0.0762","","","0.1975","0.2679","","","","","","1.2216","","","","has coordinates","233488","2020-10-21","18:00:00",""
"4348917","11.8838","0.0014","22.193","0.002","15.4836","0.0018","90","","112.57","","90","","3770.8","0.7","293","2","293","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C88 H96 B2 N2 O4 Pt2 -","- C88 H96 B2 N O4 Pt2 -","- C176 H192 B4 N2 O8 Pt4 -","2","0.5","","Rajendra Kumar, George; Thilagar, Pakkirisamy","Tuning the Phosphorescence and Solid State Luminescence of Triarylborane-Functionalized Acetylacetonato Platinum Complexes.","Inorganic chemistry","2016","55","23","12220","12229","10.1021/acs.inorgchem.6b01827","","","0.71073","MoKα","","0.1149","0.0559","","","0.095","0.1103","","","","","","0.989","","","","has coordinates","233489","2020-10-21","18:00:00",""
"4348923","11.901","0.005","22.056","0.009","15.274","0.006","90","","111.977","0.011","90","","3718","3","293","2","293","2","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C42 H46 B N O2 Pt S -","- C42 H46 B N O2 Pt S -","- C168 H184 B4 N4 O8 Pt4 S4 -","4","1","","Rajendra Kumar, George; Thilagar, Pakkirisamy","Tuning the Phosphorescence and Solid State Luminescence of Triarylborane-Functionalized Acetylacetonato Platinum Complexes.","Inorganic chemistry","2016","55","23","12220","12229","10.1021/acs.inorgchem.6b01827","","","0.71073","MoKα","","0.0648","0.0396","","","0.0941","0.1119","","","","","","1.121","","","","has coordinates","233491","2020-10-21","18:00:00",""
"4348924","17.4508","0.0006","18.7149","0.0006","23.8379","0.0008","97.485","0.001","94.706","0.002","98.437","0.002","7594.6","0.4","296","2","296.15","","","","","","","","","5","P -1","-P 1","2","","","","- C144 H168 Cu7 N8 O16 -","- C144 H168 Cu7 N8 O16 -","- C288 H336 Cu14 N16 O32 -","2","1","","Fang, Yu; Gong, Wei; Liu, Lujia; Liu, Yan; Cui, Yong","Triple-Stranded Cluster Helicates for the Selective Catalytic Oxidation of C-H Bonds.","Inorganic chemistry","2016","55","20","10102","10105","10.1021/acs.inorgchem.6b01828","","","1.54178","CuKα","","0.0822","0.069","","","0.2","0.215","","","","","","1.04","","","","has coordinates,has disorder","233492","2020-10-21","18:00:00",""
"4348927","20.7405","0.0004","24.232","0.0005","32.6921","0.0005","90","","97.999","0.001","90","","16270.7","0.5","296","2","296.15","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C159 H210 N13 O21 Zn7 -","- C159 H210 N13 O21 Zn7 -","- C636 H840 N52 O84 Zn28 -","4","0.5","","Fang, Yu; Gong, Wei; Liu, Lujia; Liu, Yan; Cui, Yong","Triple-Stranded Cluster Helicates for the Selective Catalytic Oxidation of C-H Bonds.","Inorganic chemistry","2016","55","20","10102","10105","10.1021/acs.inorgchem.6b01828","","","1.54178","CuKα","","0.0652","0.0558","","","0.1536","0.1685","","","","","","1.084","","","","has coordinates,has disorder","233494","2020-10-21","18:00:00",""
"4348933","23.2643","0.0001","24.3295","0.0001","14.6588","0.0001","90","","90.9","","90","","8295.99","0.08","85","2","85","2","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C68.5 H79 Dy K Mn4 N9 O33 -","- C68.5 H76 Dy K Mn4 N9 O33 -","- C274 H304 Dy4 K4 Mn16 N36 O132 -","4","1","","Boron, 3rd, Thaddeus T; Lutter, Jacob C.; Daly, Connor I.; Chow, Chun Y.; Davis, Andrew H.; Nimthong-Roldán, Arunpatcha; Zeller, Matthias; Kampf, Jeff W.; Zaleski, Curtis M.; Pecoraro, Vincent L.","The Nature of the Bridging Anion Controls the Single-Molecule Magnetic Properties of DyX<sub>4</sub>M 12-Metallacrown-4 Complexes.","Inorganic chemistry","2016","55","20","10597","10607","10.1021/acs.inorgchem.6b01832","","","1.54184","CuKα","","0.0367","0.0352","","","0.0969","0.0988","","","","","","1.045","","","","has coordinates,has disorder","233497","2020-10-21","18:00:00",""
"4348934","23.492","0.005","24.27","0.005","14.322","0.003","90","","91.621","0.004","90","","8162","3","100","2","100","2","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C71 H78 Dy Mn4 N9 Na O32 -","- C71 H78 Dy Mn4 N9 Na O32 -","- C284 H312 Dy4 Mn16 N36 Na4 O128 -","4","1","","Boron, 3rd, Thaddeus T; Lutter, Jacob C.; Daly, Connor I.; Chow, Chun Y.; Davis, Andrew H.; Nimthong-Roldán, Arunpatcha; Zeller, Matthias; Kampf, Jeff W.; Zaleski, Curtis M.; Pecoraro, Vincent L.","The Nature of the Bridging Anion Controls the Single-Molecule Magnetic Properties of DyX<sub>4</sub>M 12-Metallacrown-4 Complexes.","Inorganic chemistry","2016","55","20","10597","10607","10.1021/acs.inorgchem.6b01832","","","0.71073","MoKα","","0.0751","0.0573","","","0.1408","0.1492","","","","","","1.03","","","","has coordinates,has disorder","233497","2020-10-21","18:00:00",""
"4348935","14.1657","0.0001","16.5718","0.0001","16.7075","0.0001","90","","95.929","0.001","90","","3901.12","0.04","85","2","85","2","","","","","","","","7","P 1 n 1","P -2yac","7","","","","- C68 H66 Dy Mn4 N8 Na O29 -","- C68 H72 Dy Mn4 N8 Na O29 -","- C136 H144 Dy2 Mn8 N16 Na2 O58 -","2","1","","Boron, 3rd, Thaddeus T; Lutter, Jacob C.; Daly, Connor I.; Chow, Chun Y.; Davis, Andrew H.; Nimthong-Roldán, Arunpatcha; Zeller, Matthias; Kampf, Jeff W.; Zaleski, Curtis M.; Pecoraro, Vincent L.","The Nature of the Bridging Anion Controls the Single-Molecule Magnetic Properties of DyX<sub>4</sub>M 12-Metallacrown-4 Complexes.","Inorganic chemistry","2016","55","20","10597","10607","10.1021/acs.inorgchem.6b01832","","","1.54184","CuKα","","0.0389","0.0372","","","0.0974","0.0993","","","","","","1.006","","","","has coordinates,has disorder","233497","2020-10-21","18:00:00",""
"4348936","14.1334","0.0018","16.628","0.002","16.764","0.002","90","","96.893","0.002","90","","3911.2","0.8","100","2","100","2","","","","","","","","7","P 1 n 1","P -2yac","7","","","","- C68 H75.2 Dy K Mn4 N8 O29.6 -","- C68 H75.2 Dy K Mn4 N8 O29.6 -","- C136 H150.4 Dy2 K2 Mn8 N16 O59.2 -","2","1","","Boron, 3rd, Thaddeus T; Lutter, Jacob C.; Daly, Connor I.; Chow, Chun Y.; Davis, Andrew H.; Nimthong-Roldán, Arunpatcha; Zeller, Matthias; Kampf, Jeff W.; Zaleski, Curtis M.; Pecoraro, Vincent L.","The Nature of the Bridging Anion Controls the Single-Molecule Magnetic Properties of DyX<sub>4</sub>M 12-Metallacrown-4 Complexes.","Inorganic chemistry","2016","55","20","10597","10607","10.1021/acs.inorgchem.6b01832","","","0.71073","MoKα","","0.0315","0.0292","","","0.0745","0.0768","","","","","","1.06","","","","has coordinates,has disorder","233497","2020-10-21","18:00:00",""
"4348937","19.124","0.0012","18.9136","0.0011","26.0448","0.0017","90","","99.528","0.004","90","","9290.5","1","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C73.22 H117.22 Dy Mn4 N12.41 Na O31.59 -","- C73.224 H117.224 Dy Mn4 N12.408 Na O31.592 -","- C292.896 H468.896 Dy4 Mn16 N49.632 Na4 O126.368 -","4","1","","Boron, 3rd, Thaddeus T; Lutter, Jacob C.; Daly, Connor I.; Chow, Chun Y.; Davis, Andrew H.; Nimthong-Roldán, Arunpatcha; Zeller, Matthias; Kampf, Jeff W.; Zaleski, Curtis M.; Pecoraro, Vincent L.","The Nature of the Bridging Anion Controls the Single-Molecule Magnetic Properties of DyX<sub>4</sub>M 12-Metallacrown-4 Complexes.","Inorganic chemistry","2016","55","20","10597","10607","10.1021/acs.inorgchem.6b01832","","","1.54178","CuKα","","0.0854","0.0583","","","0.1399","0.1569","","","","","","1.045","","","","has coordinates,has disorder","233497","2020-10-21","18:00:00",""
"4348942","7.0884","0.0004","11.1739","0.0006","23.9893","0.0012","90","","92.168","0.003","90","","1898.71","0.18","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H22 Cu N2 O11 -","- C16 H22 Cu N2 O11 -","- C64 H88 Cu4 N8 O44 -","4","1","","Rao, Purna Chandra; Chaudhary, Sonu Pratap; Kuznetsov, Denis; Mandal, Sukhendu","Transformation of One-Dimensional Achiral Structure to Three-Dimensional Chiral Structure: Mechanistic Study and Catalytic Activities of Chiral Structure.","Inorganic chemistry","2016","55","24","12669","12674","10.1021/acs.inorgchem.6b01836","","","0.71073","MoKα","","0.0492","0.0317","","","0.0743","0.0803","","","","","","1.038","","","","has coordinates","233500","2020-10-21","18:00:00",""
"4348943","11.055","0.0002","11.055","0.0002","47.6676","0.001","90","","90","","120","","5045.12","0.17","298","2","298","2","","","","","","","","5","P 65","P 65","170","coppercarboxylatecoordinationpolymer","","","- C32 H26 Cu2 N4 O14 -","- C32 H26 Cu2 N4 O14 -","- C192 H156 Cu12 N24 O84 -","6","1","","Rao, Purna Chandra; Chaudhary, Sonu Pratap; Kuznetsov, Denis; Mandal, Sukhendu","Transformation of One-Dimensional Achiral Structure to Three-Dimensional Chiral Structure: Mechanistic Study and Catalytic Activities of Chiral Structure.","Inorganic chemistry","2016","55","24","12669","12674","10.1021/acs.inorgchem.6b01836","","","0.71073","MoKα","","0.0477","0.0426","","","0.0897","0.0916","","","","","","1.105","","","","has coordinates","233500","2020-10-21","18:00:00",""
"4348945","11.906","0.004","13.081","0.004","15.435","0.004","98.325","0.005","106.248","0.005","106.072","0.005","2152.4","1.1","90","","90","","","","","","","","","4","P -1","-P 1","2","","","","- C60 H44 Ir N3 -","- C60 H44 Ir N3 -","- C120 H88 Ir2 N6 -","2","1","","Xue, Songlin; Kuzuhara, Daiki; Aratani, Naoki; Yamada, Hiroko","Synthesis and Characterization of an Iridium Triphyrin Complex.","Inorganic chemistry","2016","55","20","10106","10109","10.1021/acs.inorgchem.6b01841","","","0.71073","MoKα","","0.0845","0.0529","","","0.094","0.1044","","","","","","1.024","","","","has coordinates","233502","2020-10-21","18:00:00",""
"4348948","12.807","0.0008","12.807","0.0008","59.467","0.006","90","","90","","90","","9753.7","1.3","100","2","100","2","","","","","","","","5","I -4 2 d","I -4 2bw","122","","Poly{[(mu4-5-cyanoisophthalato-kO:kO':kO'':kO''') bis(mu3-5-cyanoisophthalato-kO:kO':k2O'',O''') tetrakis(dimethylformamide)didysprosium(III)]dimethylformamide hydrate}","","- C42 H46 Dy2 N8 O18 -","- C39 H37 Dy2 N7 O16 -","- C312 H296 Dy16 N56 O128 -","8","0.5","","Seco, Jose M.; Oyarzabal, Itziar; Pérez-Yáñez, Sonia; Cepeda, Javier; Rodríguez-Diéguez, Antonio","Designing Multifunctional 5-Cyanoisophthalate-Based Coordination Polymers as Single-Molecule Magnets, Adsorbents, and Luminescent Materials.","Inorganic chemistry","2016","55","21","11230","11248","10.1021/acs.inorgchem.6b01845","","","0.71073","MoKα","","0.0478","0.0418","","","0.0896","0.0919","","","","","","1.053","","","","has coordinates,has disorder","233504","2020-10-21","18:00:00",""
"4348952","34.967","0.002","21.6125","0.0012","41.296","0.002","90","","90","","90","","31208","3","100","2","100","2","","","","","","","synthesis as described","5","P b c a","-P 2ac 2ab","61","","Poly{[aquapentakis(mu3-5-cyanoisophtalato-kO:kO':k2O'',O''') tris(mu4-5-cyanoisophtalato-kO:kO':kO'':kO''') di(mu-formate-k2O,O':kO') decakis(dimethylformamide)hexagadolinium(III)] tris(dimethylformamide) trihydrate}","","- C113 H125 Gd6 N21 O53 -","- C104 H96 Gd6 N18 O47 -","- C832 H768 Gd48 N144 O376 -","8","1","","Seco, Jose M.; Oyarzabal, Itziar; Pérez-Yáñez, Sonia; Cepeda, Javier; Rodríguez-Diéguez, Antonio","Designing Multifunctional 5-Cyanoisophthalate-Based Coordination Polymers as Single-Molecule Magnets, Adsorbents, and Luminescent Materials.","Inorganic chemistry","2016","55","21","11230","11248","10.1021/acs.inorgchem.6b01845","","","0.71073","MoKα","","0.1952","0.0973","","","0.2034","0.2389","","","","","","1.023","","","","has coordinates","233506","2020-10-21","18:00:00",""
"4348956","5.7384","0.0005","9.5708","0.0009","10.0605","0.0009","65.924","0.003","81.885","0.003","86.47","0.003","499.41","0.08","100","2","100","2","","","","","","","synthesis as described","5","P -1","-P 1","2","","Poly{[di(mu-aqua)bis(mu3-5-cyanoisophthalato-kO:kO':kO'') bis(mu3-hydroxido)tricopper(II)]}","","- C18 H12 Cu3 N2 O12 -","- C18 H12 Cu3 N2 O12 -","- C18 H12 Cu3 N2 O12 -","1","0.5","","Seco, Jose M.; Oyarzabal, Itziar; Pérez-Yáñez, Sonia; Cepeda, Javier; Rodríguez-Diéguez, Antonio","Designing Multifunctional 5-Cyanoisophthalate-Based Coordination Polymers as Single-Molecule Magnets, Adsorbents, and Luminescent Materials.","Inorganic chemistry","2016","55","21","11230","11248","10.1021/acs.inorgchem.6b01845","","","0.71073","MoKα","","0.0585","0.0373","","","0.0754","0.0819","","","","","","1.052","","","","has coordinates","233508","2020-10-21","18:00:00",""
"4348957","7.1291","0.0002","16.0748","0.0006","11.0375","0.0004","90","","90","","90","","1264.88","0.07","100","2","100","2","","","","","","","synthesis as described","5","P n a 21","P 2c -2n","33","","Poly{[dimethylformamide(mu4-5-cyanoisophthalato-k2O,O':kO':kO'':kO''') cadmium(II)]}","","- C12 H10 Cd N2 O5 -","- C12 H10 Cd N2 O5 -","- C48 H40 Cd4 N8 O20 -","4","1","","Seco, Jose M.; Oyarzabal, Itziar; Pérez-Yáñez, Sonia; Cepeda, Javier; Rodríguez-Diéguez, Antonio","Designing Multifunctional 5-Cyanoisophthalate-Based Coordination Polymers as Single-Molecule Magnets, Adsorbents, and Luminescent Materials.","Inorganic chemistry","2016","55","21","11230","11248","10.1021/acs.inorgchem.6b01845","","","0.71073","MoKα","","0.0217","0.0194","","","0.0422","0.0428","","","","","","1.08","","","","has coordinates","233509","2020-10-21","18:00:00",""
"4348959","32.767","0.002","32.767","0.002","32.767","0.002","90","","90","","90","","35181","4","100","2","100","2","","","","","","","synthesis as described","5","F m -3","-F 2 2 3","202","","Poly{[tetracosaaquadodeca(mu4-5-cyanoisophtalato-kO:kO':kO'':kO''') dodeca(mu-5-cyanoisophtalato-kO:kO'')octa(mu4-oxide)dotriacontazinc(II)] dodecakis(dimethylformamide)}","","- C252 H204 N36 O140 Zn32 -","- C216 H72 N24 O128 Zn32 -","- C864 H288 N96 O512 Zn128 -","4","0.0416667","","Seco, Jose M.; Oyarzabal, Itziar; Pérez-Yáñez, Sonia; Cepeda, Javier; Rodríguez-Diéguez, Antonio","Designing Multifunctional 5-Cyanoisophthalate-Based Coordination Polymers as Single-Molecule Magnets, Adsorbents, and Luminescent Materials.","Inorganic chemistry","2016","55","21","11230","11248","10.1021/acs.inorgchem.6b01845","","","0.71073","MoKα","","0.0999","0.0617","","","0.1418","0.1528","","","","","","0.947","","","","has coordinates","233511","2020-10-21","18:00:00",""
"4348960","9.466","0.007","24.358","0.018","22.393","0.016","90","","91.74","0.008","90","","5161","7","100","2","100","2","","","","","","","synthesis as described","5","C 1 2/c 1","-C 2yc","15","","Poly{[bis(mu4-5-cyanoisophthalato-k2O,O':kO':kO'':kO''') (mu4-5-cyanoisophthalato-kO:kO':kO'':kO''') tetradimethylformamidetricobalt(II)]bis(dimethylformamide)}","","- C45 H51 Co3 N9 O18 -","- C39 H37 Co3 N7 O16 -","- C156 H148 Co12 N28 O64 -","4","0.5","","Seco, Jose M.; Oyarzabal, Itziar; Pérez-Yáñez, Sonia; Cepeda, Javier; Rodríguez-Diéguez, Antonio","Designing Multifunctional 5-Cyanoisophthalate-Based Coordination Polymers as Single-Molecule Magnets, Adsorbents, and Luminescent Materials.","Inorganic chemistry","2016","55","21","11230","11248","10.1021/acs.inorgchem.6b01845","","","0.71073","MoKα","","0.0885","0.0543","","","0.1195","0.1319","","","","","","0.929","","","","has coordinates","233512","2020-10-21","18:00:00",""
"4348965","14.683","0.002","17.033","0.002","17.605","0.003","110.022","0.002","91.256","0.002","91.279","0.002","4133.7","1","296","2","296","2","","","","","","","","9","P -1","-P 1","2","","","","- C16 H126 Ag8 Mn8 N16 Na O159 Sb2 W32 -","- C16 H70 Ag8 Mn8 N16 Na O159 Sb2 W32 -","- C16 H70 Ag8 Mn8 N16 Na O159 Sb2 W32 -","1","0.5","","Han, Zhan-Gang; Zhang, Hui-Xia; Zhang, De-Shun; Liu, Chun-Na; Zheng, Ran; Xia, Gui-Bin; Wang, Xiao-Xiao","Sandwich-Type Polyoxotungstate Consisting of Two Different Trilacunary Keggin-Type Units.","Inorganic chemistry","2016","55","24","12488","12491","10.1021/acs.inorgchem.6b01848","","","0.71073","MoKα","","0.1082","0.0692","","","0.1807","0.2169","","","","","","1.014","","","","has coordinates,has disorder","233514","2020-10-21","18:00:00",""
"4348968","6.223","0.004","11.054","0.008","19.003","0.013","90","","90","","90","","1307.2","1.5","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C11 H11 Co2 O8 P -","- C11 H11 Co2 O8 P -","- C44 H44 Co8 O32 P4 -","4","1","","Liu, Bei; Xu, Yan; Bao, Song-Song; Huang, Xin-Da; Liu, Min; Zheng, Li-Min","Enantioenriched Cobalt Phosphonate Containing Δ-Type Chains and Showing Slow Magnetization Relaxation.","Inorganic chemistry","2016","55","19","9521","9523","10.1021/acs.inorgchem.6b01854","","","0.71073","MoKα","","0.1592","0.0659","","","0.0989","0.121","","","","","","1","","","","has coordinates","233516","2020-10-21","18:00:00",""
"4348970","6.6944","0.0009","22.299","0.003","6.7115","0.0009","90","","119.107","0.008","90","","875.4","0.2","296","2","296.15","","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- B20 Ba4 Br2 O34 Rb4 -","- B20 Ba4 Br2 O34 Rb4 -","- B20 Ba4 Br2 O34 Rb4 -","1","0.25","","Mutailipu, Miriding; Zhang, Min; Dong, Xiaoyu; Chen, Yanna; Pan, Shilie","Effects of the Orientation of [B<sub>5</sub>O<sub>11</sub>]<sup>7-</sup> Fundamental Building Blocks on Layered Structures Based on the Pentaborates.","Inorganic chemistry","2016","55","20","10608","10616","10.1021/acs.inorgchem.6b01855","","","0.71073","MoKα","","0.0766","0.0672","","","0.1729","0.1802","","","","","","1.0259","","","","has coordinates","233518","2020-10-21","18:00:00",""
"4348971","6.7562","0.001","11.0862","0.0019","11.288","0.0018","99.073","0.01","90.601","0.01","100.383","0.01","820.6","0.2","296","2","296.15","","","","","","","","","5","P -1","-P 1","2","","","","- B20 Ba2.5 Cl O34 Rb4 -","- B20 Ba2.5 Cl O34 Rb4 -","- B20 Ba2.5 Cl O34 Rb4 -","1","0.5","","Mutailipu, Miriding; Zhang, Min; Dong, Xiaoyu; Chen, Yanna; Pan, Shilie","Effects of the Orientation of [B<sub>5</sub>O<sub>11</sub>]<sup>7-</sup> Fundamental Building Blocks on Layered Structures Based on the Pentaborates.","Inorganic chemistry","2016","55","20","10608","10616","10.1021/acs.inorgchem.6b01855","","","0.71073","MoKα","","0.0675","0.0562","","","0.1242","0.1297","","","","","","1.0554","","","","has coordinates","233519","2020-10-21","18:00:00",""
"4348977","6.7321","0.0004","11.2428","0.0008","11.3074","0.0008","98.907","0.004","90.517","0.004","100.83","0.004","829.81","0.1","296","2","296.15","","","","","","","","","5","P -1","-P 1","2","","","","- B20 Ba2.5 Br O34 Rb4 -","- B20 Ba2.5 Br O34 Rb4 -","- B20 Ba2.5 Br O34 Rb4 -","1","0.5","","Mutailipu, Miriding; Zhang, Min; Dong, Xiaoyu; Chen, Yanna; Pan, Shilie","Effects of the Orientation of [B<sub>5</sub>O<sub>11</sub>]<sup>7-</sup> Fundamental Building Blocks on Layered Structures Based on the Pentaborates.","Inorganic chemistry","2016","55","20","10608","10616","10.1021/acs.inorgchem.6b01855","","","0.71073","MoKα","","0.063","0.052","","","0.1413","0.1491","","","","","","1.0376","","","","has coordinates","233521","2020-10-21","18:00:00",""
"4348978","6.668","0.004","14.511","0.009","8.419","0.005","90","","105.087","0.007","90","","786.5","0.8","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- B5 Ba K O9 -","- B5 Ba K O9 -","- B20 Ba4 K4 O36 -","4","1","","Mutailipu, Miriding; Zhang, Min; Dong, Xiaoyu; Chen, Yanna; Pan, Shilie","Effects of the Orientation of [B<sub>5</sub>O<sub>11</sub>]<sup>7-</sup> Fundamental Building Blocks on Layered Structures Based on the Pentaborates.","Inorganic chemistry","2016","55","20","10608","10616","10.1021/acs.inorgchem.6b01855","","","0.71073","MoKα","","0.0973","0.0508","","","0.1183","0.1652","","","","","","0.998","","","","has coordinates","233522","2020-10-21","18:00:00",""
"4348981","10.8566","0.0014","22.3","0.004","15.524","0.003","90","","107.607","0.01","90","","3582.3","1.1","120","2","120","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C33 H45 F6 N5 O2 P2 Ru -","- C33 H45 F6 N5 O2 P2 Ru -","- C132 H180 F24 N20 O8 P8 Ru4 -","4","1","","Palmucci, Jessica; Marchetti, Fabio; Pettinari, Riccardo; Pettinari, Claudio; Scopelliti, Rosario; Riedel, Tina; Therrien, Bruno; Galindo, Agustin; Dyson, Paul J.","Synthesis, Structure, and Anticancer Activity of Arene-Ruthenium(II) Complexes with Acylpyrazolones Bearing Aliphatic Groups in the Acyl Moiety.","Inorganic chemistry","2016","55","22","11770","11781","10.1021/acs.inorgchem.6b01861","","","0.71073","MoKα","","0.0518","0.0383","","","0.0885","0.0979","","","","","","1.083","","","","has coordinates","233524","2020-10-21","18:00:00",""
"4348982","10.4075","0.0008","11.0056","0.0011","18.3138","0.0011","76.021","0.007","80.764","0.006","73.239","0.007","1939.7","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C42 H32 B2 Cu2 N12 -","- C42 H32 B2 Cu2 N12 -","- C84 H64 B4 Cu4 N24 -","2","1","","Zhang, De-Xiang; Zhang, Hai-Xia; Wen, Tian; Li, Dong-Sheng; Zhang, Jian","Mechanochromic Cu(i) boron imidazolate frameworks with low-dimensional structures and reducing function","Inorganic Chemistry Frontiers","2016","3","2","263","","10.1039/C5QI00155B","","","0.71073","MoKα","","0.1738","0.0618","","","0.0865","0.1223","","","","","","0.856","","","","has coordinates","233525","2020-10-21","18:00:00",""
"4348983","10.8982","0.0015","16.9459","0.001","20.762","0.003","90","","103.73","0.009","90","","3724.8","0.8","120","2","120","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C35 H49 F6 N5 O2 P2 Ru -","- C35 H49 F6 N5 O2 P2 Ru -","- C140 H196 F24 N20 O8 P8 Ru4 -","4","1","","Palmucci, Jessica; Marchetti, Fabio; Pettinari, Riccardo; Pettinari, Claudio; Scopelliti, Rosario; Riedel, Tina; Therrien, Bruno; Galindo, Agustin; Dyson, Paul J.","Synthesis, Structure, and Anticancer Activity of Arene-Ruthenium(II) Complexes with Acylpyrazolones Bearing Aliphatic Groups in the Acyl Moiety.","Inorganic chemistry","2016","55","22","11770","11781","10.1021/acs.inorgchem.6b01861","","","0.71073","MoKα","","0.0768","0.0561","","","0.0857","0.0918","","","","","","1.14","","","","has coordinates","233526","2020-10-21","18:00:00",""
"4348984","24.4314","0.0006","24.4314","0.0006","27.94","0.0009","90","","90","","120","","14442.9","0.7","293","2","293","2","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","","","- C16 H29.25 Co3 N4 O17 -","- C16 H29.246 Co3 N4 O17 -","- C288 H526.428 Co54 N72 O306 -","18","0.5","","Yao, Ru-Xin; Qiao, Xiao-Hui; Cui, Xin; Jia, Xiao-Xia; Zhang, Xian-Ming","Hexagonal Co6 and zigzag Co4 cluster based magnetic MOFs with a pcu net for selective catalysis","Inorganic Chemistry Frontiers","2016","3","1","78","","10.1039/C5QI00159E","","","0.71073","MoKα","","0.0398","0.0319","","","0.0912","0.0948","","","","","","1.046","","","","has coordinates,has disorder","233527","2020-10-21","18:00:00",""
"4348985","15.9765","0.0017","15.088","0.0015","15.9616","0.0016","90","","90","","90","","3847.6","0.7","298","2","298.15","","","","","","","","","5","P b a m","-P 2 2ab","55","","","","- C16 H14 Co2 N4 O8 -","- C16 H14 Co2 N4 O8 -","- C128 H112 Co16 N32 O64 -","8","1","","Yao, Ru-Xin; Qiao, Xiao-Hui; Cui, Xin; Jia, Xiao-Xia; Zhang, Xian-Ming","Hexagonal Co6 and zigzag Co4 cluster based magnetic MOFs with a pcu net for selective catalysis","Inorganic Chemistry Frontiers","2016","3","1","78","","10.1039/C5QI00159E","","","0.71073","MoKα","","0.0715","0.0568","","","0.1641","0.1769","","","","","","1.048","","","","has coordinates,has disorder","233527","2020-10-21","18:00:00",""
"4348986","8.4672","0.0015","18.162","0.003","24.837","0.003","89.319","0.011","80.413","0.011","81.5","0.011","3724.4","1","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","","","- C40 H61 Cl N2 O2 Ru -","- C40 H61 Cl N2 O2 Ru -","- C160 H244 Cl4 N8 O8 Ru4 -","4","2","","Palmucci, Jessica; Marchetti, Fabio; Pettinari, Riccardo; Pettinari, Claudio; Scopelliti, Rosario; Riedel, Tina; Therrien, Bruno; Galindo, Agustin; Dyson, Paul J.","Synthesis, Structure, and Anticancer Activity of Arene-Ruthenium(II) Complexes with Acylpyrazolones Bearing Aliphatic Groups in the Acyl Moiety.","Inorganic chemistry","2016","55","22","11770","11781","10.1021/acs.inorgchem.6b01861","","","0.71073","MoKα","","0.1313","0.0622","","","0.0899","0.1113","","","","","","1.088","","","","has coordinates","233528","2020-10-21","18:00:00",""
"4348987","12.995","0.004","8.874","0.003","11.389","0.003","90","","91.646","0.007","90","","1312.8","0.7","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H30 B2 F8 N6 -","- C24 H30 B2 F8 N6 -","- C48 H60 B4 F16 N12 -","2","0.5","","Hohloch, Stephan; Suntrup, Lisa; Sarkar, Biprajit","Exploring potential cooperative effects in dicopper(i)-di-mesoionic carbene complexes: applications in click catalysis","Inorganic Chemistry Frontiers","2016","3","1","67","","10.1039/C5QI00163C","","","0.71073","MoKα","","0.0855","0.0556","","","0.1608","0.1892","","","","","","1.071","","","","has coordinates","233529","2020-10-21","18:00:00",""
"4348988","13.5432","0.0014","13.5432","0.0014","41.646","0.009","90","","90","","90","","7639","2","100","2","100","2","","","","","","","","7","P 43 21 2","P 4nw 2abw","96","","","","- C123 H166 B4 Cl6 Cu4 F16 N24 -","- C123 H166 B4 Cl6 Cu4 F16 N24 -","- C246 H332 B8 Cl12 Cu8 F32 N48 -","2","0.25","","Hohloch, Stephan; Suntrup, Lisa; Sarkar, Biprajit","Exploring potential cooperative effects in dicopper(i)-di-mesoionic carbene complexes: applications in click catalysis","Inorganic Chemistry Frontiers","2016","3","1","67","","10.1039/C5QI00163C","","","0.71073","MoKα","","0.1015","0.09","","","0.2381","0.2475","","","","","","1.082","","","","has coordinates,has disorder","233529","2020-10-21","18:00:00",""
"4348989","21.22","0.004","13.993","0.003","17.774","0.003","90","","111.151","0.004","90","","4922.1","1.6","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C42 H44 B2 Cl4 Cu2 F8 N12 -","- C42 H44 B2 Cl4 Cu2 F8 N12 -","- C168 H176 B8 Cl16 Cu8 F32 N48 -","4","0.5","","Hohloch, Stephan; Suntrup, Lisa; Sarkar, Biprajit","Exploring potential cooperative effects in dicopper(i)-di-mesoionic carbene complexes: applications in click catalysis","Inorganic Chemistry Frontiers","2016","3","1","67","","10.1039/C5QI00163C","","","0.71073","MoKα","","0.035","0.0264","","","0.0623","0.0673","","","","","","1.034","","","","has coordinates","233529","2020-10-21","18:00:00",""
"4348990","20.928","0.003","7.9023","0.0005","22.882","0.003","90","","104.601","0.01","90","","3662","0.8","120","2","120","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C38 H57 Cl N2 O2 Ru -","- C38 H57 Cl N2 O2 Ru -","- C152 H228 Cl4 N8 O8 Ru4 -","4","1","","Palmucci, Jessica; Marchetti, Fabio; Pettinari, Riccardo; Pettinari, Claudio; Scopelliti, Rosario; Riedel, Tina; Therrien, Bruno; Galindo, Agustin; Dyson, Paul J.","Synthesis, Structure, and Anticancer Activity of Arene-Ruthenium(II) Complexes with Acylpyrazolones Bearing Aliphatic Groups in the Acyl Moiety.","Inorganic chemistry","2016","55","22","11770","11781","10.1021/acs.inorgchem.6b01861","","","0.71073","MoKα","","0.1295","0.0811","","","0.172","0.1984","","","","","","1.131","","","","has coordinates","233530","2020-10-21","18:00:00",""
"4348991","9.2504","0.001","11.1086","0.0011","28.607","0.004","90","","95.058","0.009","90","","2928.2","0.6","120","2","120","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C31 H37 Cl N2 O2 Ru -","- C31 H37 Cl N2 O2 Ru -","- C124 H148 Cl4 N8 O8 Ru4 -","4","1","","Palmucci, Jessica; Marchetti, Fabio; Pettinari, Riccardo; Pettinari, Claudio; Scopelliti, Rosario; Riedel, Tina; Therrien, Bruno; Galindo, Agustin; Dyson, Paul J.","Synthesis, Structure, and Anticancer Activity of Arene-Ruthenium(II) Complexes with Acylpyrazolones Bearing Aliphatic Groups in the Acyl Moiety.","Inorganic chemistry","2016","55","22","11770","11781","10.1021/acs.inorgchem.6b01861","","","0.71073","MoKα","","0.1224","0.1063","","","0.2645","0.2721","","","","","","1.276","","","","has coordinates","233531","2020-10-21","18:00:00",""
"4348993","21.957","0.004","8.1318","0.0013","29.799","0.005","90","","90","","90","","5320.6","1.6","120","2","120","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C29 H37 Cl N2 O2 Ru -","- C29 H37 Cl N2 O2 Ru -","- C232 H296 Cl8 N16 O16 Ru8 -","8","2","","Palmucci, Jessica; Marchetti, Fabio; Pettinari, Riccardo; Pettinari, Claudio; Scopelliti, Rosario; Riedel, Tina; Therrien, Bruno; Galindo, Agustin; Dyson, Paul J.","Synthesis, Structure, and Anticancer Activity of Arene-Ruthenium(II) Complexes with Acylpyrazolones Bearing Aliphatic Groups in the Acyl Moiety.","Inorganic chemistry","2016","55","22","11770","11781","10.1021/acs.inorgchem.6b01861","","","0.71073","MoKα","","0.0676","0.0468","","","0.0806","0.0891","","","","","","1.108","","","","has coordinates","233533","2020-10-21","18:00:00",""
"4348994","11.2962","0.0017","13.897","0.003","13.952","0.004","90.99","0.02","107.747","0.018","109.882","0.014","1943.7","0.8","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C37 H49 F6 N5 O2 P2 Ru -","- C37 H49 F6 N5 O2 P2 Ru -","- C74 H98 F12 N10 O4 P4 Ru2 -","2","1","","Palmucci, Jessica; Marchetti, Fabio; Pettinari, Riccardo; Pettinari, Claudio; Scopelliti, Rosario; Riedel, Tina; Therrien, Bruno; Galindo, Agustin; Dyson, Paul J.","Synthesis, Structure, and Anticancer Activity of Arene-Ruthenium(II) Complexes with Acylpyrazolones Bearing Aliphatic Groups in the Acyl Moiety.","Inorganic chemistry","2016","55","22","11770","11781","10.1021/acs.inorgchem.6b01861","","","0.71073","MoKα","","0.2552","0.0866","","","0.1376","0.1935","","","","","","0.778","","","","has coordinates","233534","2020-10-21","18:00:00",""
"4348995","11.0741","0.0014","21.917","0.003","23.797","0.003","111.629","0.003","90.278","0.003","94.509","0.004","5348.9","1.2","173","","173","","","","","","","","","8","P -1","-P 1","2","","","","- C123 H100 Cl2 F12 Ir2 N4 O3 P6 -","- C123 H98 Cl2 F12 Ir2 N4 O3 P6 -","- C246 H196 Cl4 F24 Ir4 N8 O6 P12 -","2","1","","Rota Martir, Diego; Bansal, Ashu K.; Di Mascio, Vincent; Cordes, David B.; Henwood, Adam F.; Slawin, Alexandra M. Z.; Kamer, Paul C. J.; Martínez-Sarti, Laura; Pertegás, Antonio; Bolink, Henk J.; Samuel, Ifor D. W.; Zysman-Colman, Eli","Enhancing the photoluminescence quantum yields of blue-emitting cationic iridium(iii) complexes bearing bisphosphine ligands","Inorganic Chemistry Frontiers","2016","3","2","218","","10.1039/C5QI00177C","","","0.71075","MoKα","","0.0811","0.0591","","","0.1593","0.1691","","","","","","1.055","","","","has coordinates","233536","2020-10-21","18:00:00",""
"4348996","11.74","0.003","14.327","0.004","30.631","0.009","90","","92.884","0.007","90","","5146","2","173","","173","","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C59 H46 Cl2 F6 Ir N2 O P3 -","- C59 H46 Cl2 F6 Ir N2 O P3 -","- C236 H184 Cl8 F24 Ir4 N8 O4 P12 -","4","1","","Rota Martir, Diego; Bansal, Ashu K.; Di Mascio, Vincent; Cordes, David B.; Henwood, Adam F.; Slawin, Alexandra M. Z.; Kamer, Paul C. J.; Martínez-Sarti, Laura; Pertegás, Antonio; Bolink, Henk J.; Samuel, Ifor D. W.; Zysman-Colman, Eli","Enhancing the photoluminescence quantum yields of blue-emitting cationic iridium(iii) complexes bearing bisphosphine ligands","Inorganic Chemistry Frontiers","2016","3","2","218","","10.1039/C5QI00177C","","","0.71075","MoKα","","0.209","0.0865","","","0.1312","0.1682","","","","","","1.005","","","","has coordinates","233536","2020-10-21","18:00:00",""
"4348997","26.593","0.003","9.8215","0.0008","51.956","0.005","90","","104.377","0.005","90","","13145","2","173","","173","","","","","","","","","7","I 1 2/a 1","-I 2ya","15","","","","- C146 H118 Cl4 F18 Ir3 N6 P9 -","- C146 H118 Cl4 F18 Ir3 N6 P9 -","- C584 H472 Cl16 F72 Ir12 N24 P36 -","4","0.5","","Rota Martir, Diego; Bansal, Ashu K.; Di Mascio, Vincent; Cordes, David B.; Henwood, Adam F.; Slawin, Alexandra M. Z.; Kamer, Paul C. J.; Martínez-Sarti, Laura; Pertegás, Antonio; Bolink, Henk J.; Samuel, Ifor D. W.; Zysman-Colman, Eli","Enhancing the photoluminescence quantum yields of blue-emitting cationic iridium(iii) complexes bearing bisphosphine ligands","Inorganic Chemistry Frontiers","2016","3","2","218","","10.1039/C5QI00177C","","","0.71075","MoKα","","0.0417","0.0345","","","0.0854","0.0891","","","","","","1.028","","","","has coordinates,has disorder","233536","2020-10-21","18:00:00",""
"4348998","16.774","0.003","17.277","0.003","17.99","0.003","96.957","0.005","96.536","0.005","90.204","0.005","5140.8","1.5","173","","173","","","","","","","","","8","P -1","-P 1","2","","","","- C58.5 H45 Cl F6 Ir N3 O1.5 P3 -","- C58.5 H44 Cl F6 Ir N3 O1.5 P3 -","- C234 H176 Cl4 F24 Ir4 N12 O6 P12 -","4","2","","Rota Martir, Diego; Bansal, Ashu K.; Di Mascio, Vincent; Cordes, David B.; Henwood, Adam F.; Slawin, Alexandra M. Z.; Kamer, Paul C. J.; Martínez-Sarti, Laura; Pertegás, Antonio; Bolink, Henk J.; Samuel, Ifor D. W.; Zysman-Colman, Eli","Enhancing the photoluminescence quantum yields of blue-emitting cationic iridium(iii) complexes bearing bisphosphine ligands","Inorganic Chemistry Frontiers","2016","3","2","218","","10.1039/C5QI00177C","","","0.71075","MoKα","","0.1258","0.0875","","","0.2143","0.2379","","","","","","1.043","","","","has coordinates","251896","2020-10-21","18:00:00",""
"4348999","12.853","0.003","14.837","0.003","20.906","0.005","73.489","0.006","89.1446","0.001","86.741","0.012","3816.2","1.5","173","","173","","","","","","","","","8","P -1","-P 1","2","","","","- C83.5 H79 Cl F6 Ir N2 O2 P3 -","- C83.5 H79 Cl F6 Ir N2 O2 P3 -","- C167 H158 Cl2 F12 Ir2 N4 O4 P6 -","2","1","","Rota Martir, Diego; Bansal, Ashu K.; Di Mascio, Vincent; Cordes, David B.; Henwood, Adam F.; Slawin, Alexandra M. Z.; Kamer, Paul C. J.; Martínez-Sarti, Laura; Pertegás, Antonio; Bolink, Henk J.; Samuel, Ifor D. W.; Zysman-Colman, Eli","Enhancing the photoluminescence quantum yields of blue-emitting cationic iridium(iii) complexes bearing bisphosphine ligands","Inorganic Chemistry Frontiers","2016","3","2","218","","10.1039/C5QI00177C","","","1.54187","CuKα","","0.0936","0.0774","","","0.1971","0.2034","","","","","","0.988","","","","has coordinates","233536","2020-10-21","18:00:00",""
"4349000","10.6547","0.0009","11.1385","0.0009","20.9281","0.0014","75.728","0.004","87.937","0.005","89.845","0.004","2405.4","0.3","173","","173","","","","","","","","","7","P -1","-P 1","2","","","","- C52 H44 F10 Ir N2 O P3 -","- C52 H44 F10 Ir N2 O P3 -","- C104 H88 F20 Ir2 N4 O2 P6 -","2","1","","Rota Martir, Diego; Bansal, Ashu K.; Di Mascio, Vincent; Cordes, David B.; Henwood, Adam F.; Slawin, Alexandra M. Z.; Kamer, Paul C. J.; Martínez-Sarti, Laura; Pertegás, Antonio; Bolink, Henk J.; Samuel, Ifor D. W.; Zysman-Colman, Eli","Enhancing the photoluminescence quantum yields of blue-emitting cationic iridium(iii) complexes bearing bisphosphine ligands","Inorganic Chemistry Frontiers","2016","3","2","218","","10.1039/C5QI00177C","","","0.71075","MoKα","","0.0175","0.0162","","","0.0428","0.0431","","","","","","1.069","","","","has coordinates","233536","2020-10-21","18:00:00",""
"4349001","11.785","0.002","16.055","0.003","20.759","0.004","104.611","0.004","95.053","0.003","104.351","0.004","3634.3","1.2","173","","173","","","","","","","","","7","P -1","-P 1","2","","","","- C79 H64 F10 Ir N2 O P3 -","- C79 H64 F10 Ir N2 O P3 -","- C158 H128 F20 Ir2 N4 O2 P6 -","2","1","","Rota Martir, Diego; Bansal, Ashu K.; Di Mascio, Vincent; Cordes, David B.; Henwood, Adam F.; Slawin, Alexandra M. Z.; Kamer, Paul C. J.; Martínez-Sarti, Laura; Pertegás, Antonio; Bolink, Henk J.; Samuel, Ifor D. W.; Zysman-Colman, Eli","Enhancing the photoluminescence quantum yields of blue-emitting cationic iridium(iii) complexes bearing bisphosphine ligands","Inorganic Chemistry Frontiers","2016","3","2","218","","10.1039/C5QI00177C","","","0.71075","MoKα","","0.1392","0.0769","","","0.1546","0.1815","","","","","","1.057","","","","has coordinates","233536","2020-10-21","18:00:00",""
"4349002","12.685","0.003","15.072","0.004","19.068","0.005","84.215","0.007","85.755","0.008","89.94","0.006","3617","1.6","173","","173","","","","","","","","","7","P -1","-P 1","2","","","","- C84 H80 F10 Ir N2 O3 P3 -","- C84 H80 F10 Ir N2 O3 P3 -","- C168 H160 F20 Ir2 N4 O6 P6 -","2","1","","Rota Martir, Diego; Bansal, Ashu K.; Di Mascio, Vincent; Cordes, David B.; Henwood, Adam F.; Slawin, Alexandra M. Z.; Kamer, Paul C. J.; Martínez-Sarti, Laura; Pertegás, Antonio; Bolink, Henk J.; Samuel, Ifor D. W.; Zysman-Colman, Eli","Enhancing the photoluminescence quantum yields of blue-emitting cationic iridium(iii) complexes bearing bisphosphine ligands","Inorganic Chemistry Frontiers","2016","3","2","218","","10.1039/C5QI00177C","","","0.71075","MoKα","","0.1271","0.0742","","","0.1114","0.1327","","","","","","1.086","","","","has coordinates","233536","2020-10-21","18:00:00",""
"4349003","12.8447","0.0004","13.3798","0.0007","19.7895","0.0011","80.832","0.006","78.851","0.006","66.667","0.005","3051","0.3","173","","173","","","","","","","","","7","P -1","-P 1","2","","","","- C67 H56 Cl2 F10 Ir N2 P3 -","- C67 H56 Cl2 F10 Ir N2 P3 -","- C134 H112 Cl4 F20 Ir2 N4 P6 -","2","1","","Rota Martir, Diego; Bansal, Ashu K.; Di Mascio, Vincent; Cordes, David B.; Henwood, Adam F.; Slawin, Alexandra M. Z.; Kamer, Paul C. J.; Martínez-Sarti, Laura; Pertegás, Antonio; Bolink, Henk J.; Samuel, Ifor D. W.; Zysman-Colman, Eli","Enhancing the photoluminescence quantum yields of blue-emitting cationic iridium(iii) complexes bearing bisphosphine ligands","Inorganic Chemistry Frontiers","2016","3","2","218","","10.1039/C5QI00177C","","","0.71075","MoKα","","0.0308","0.0256","","","0.0667","0.0688","","","","","","1.036","","","","has coordinates,has disorder","233536","2020-10-21","18:00:00",""
"4349004","11.8143","0.0009","8.3838","0.0009","24.967","0.003","90","","95.863","0.007","90","","2460","0.4","120","2","120","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C27 H33 Cl N2 O2 Ru -","- C27 H33 Cl N2 O2 Ru -","- C108 H132 Cl4 N8 O8 Ru4 -","4","1","","Palmucci, Jessica; Marchetti, Fabio; Pettinari, Riccardo; Pettinari, Claudio; Scopelliti, Rosario; Riedel, Tina; Therrien, Bruno; Galindo, Agustin; Dyson, Paul J.","Synthesis, Structure, and Anticancer Activity of Arene-Ruthenium(II) Complexes with Acylpyrazolones Bearing Aliphatic Groups in the Acyl Moiety.","Inorganic chemistry","2016","55","22","11770","11781","10.1021/acs.inorgchem.6b01861","","","0.71073","MoKα","","0.0356","0.0304","","","0.0716","0.0743","","","","","","1.089","","","","has coordinates","233537","2020-10-21","18:00:00",""
"4349005","16.759","0.003","16.602","0.003","19.907","0.004","90","","99.08","0.03","90","","5469.4","1.8","113","2","113","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C52 H36 Br2 F12 N4 O10 Y2 -","- C52 H30 Br2 F12 N4 O10 Y2 -","- C208 H120 Br8 F48 N16 O40 Y8 -","4","0.5","","Wang, Wen-Min; Wang, Shi-Yu; Zhang, Hong-Xia; Shen, Hai-Yun; Zou, Ji-Yong; Gao, Hong-Ling; Cui, Jian-Zhong; Zhao, Bin","Modulating single-molecule magnet behaviour of phenoxo-O bridged lanthanide(iii) dinuclear complexes by using different β-diketonate coligands","Inorganic Chemistry Frontiers","2016","3","1","133","","10.1039/C5QI00192G","","","0.71073","MoKα","","0.0907","0.0599","","","0.1435","0.161","","","","","","1.021","","","","has coordinates,has disorder","233538","2020-10-21","18:00:00",""
"4349006","10.769","0.002","13.002","0.003","13.289","0.003","69.97","0.03","72.58","0.03","80.13","0.03","1663.1","0.7","113","2","113","2","","","","","","","","8","P -1","-P 1","2","","","","- C64 H36 Br2 Dy2 F12 N4 O10 S4 -","- C64 H24 Br2 Dy2 F12 N4 O10 S4 -","- C64 H24 Br2 Dy2 F12 N4 O10 S4 -","1","0.5","","Wang, Wen-Min; Wang, Shi-Yu; Zhang, Hong-Xia; Shen, Hai-Yun; Zou, Ji-Yong; Gao, Hong-Ling; Cui, Jian-Zhong; Zhao, Bin","Modulating single-molecule magnet behaviour of phenoxo-O bridged lanthanide(iii) dinuclear complexes by using different β-diketonate coligands","Inorganic Chemistry Frontiers","2016","3","1","133","","10.1039/C5QI00192G","","","0.71073","MoKα","","0.0735","0.0553","","","0.1058","0.1142","","","","","","0.985","","","","has coordinates,has disorder","233538","2020-10-21","18:00:00",""
"4349007","16.748","0.003","16.799","0.003","17.363","0.004","82.67","0.03","70.83","0.03","62.46","0.03","4090","2","113","2","113","2","","","","","","","","6","P -1","-P 1","2","","","","- C48 H35.5 Br Dy N3 O5.25 -","- C48 H33 Br Dy N3 O5.25 -","- C192 H132 Br4 Dy4 N12 O21 -","4","2","","Wang, Wen-Min; Wang, Shi-Yu; Zhang, Hong-Xia; Shen, Hai-Yun; Zou, Ji-Yong; Gao, Hong-Ling; Cui, Jian-Zhong; Zhao, Bin","Modulating single-molecule magnet behaviour of phenoxo-O bridged lanthanide(iii) dinuclear complexes by using different β-diketonate coligands","Inorganic Chemistry Frontiers","2016","3","1","133","","10.1039/C5QI00192G","","","0.71073","MoKα","","0.0553","0.0409","","","0.0954","0.1024","","","","","","1.071","","","","has coordinates,has disorder","233538","2020-10-21","18:00:00",""
"4349008","8.5275","0.0015","20.048","0.003","25.023","0.004","90","","90","","90","","4277.9","1.2","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","Compound3a","","","- C46 H48 Dy2 N2 O14 -","- C46 H46 Dy2 N2 O14 -","- C184 H184 Dy8 N8 O56 -","4","0.5","","Mukherjee, Soumya; Lu, Jingjing; Velmurugan, Gunasekaran; Singh, Shweta; Rajaraman, Gopalan; Tang, Jinkui; Ghosh, Sujit K.","Influence of Tuned Linker Functionality on Modulation of Magnetic Properties and Relaxation Dynamics in a Family of Six Isotypic Ln<sub>2</sub> (Ln = Dy and Gd) Complexes.","Inorganic chemistry","2016","55","21","11283","11298","10.1021/acs.inorgchem.6b01863","","","0.71073","MoKα","","0.0985","0.0556","","","0.1141","0.1329","","","","","","1.051","","","","has coordinates","233539","2020-10-21","18:00:00",""
"4349009","10.0371","0.0004","26.6752","0.0013","5.9349","0.0003","90","","90","","90","","1589.02","0.13","293","2","293","2","","","","","","","","6","A m a 2","A 2 -2a","40","","","","- C2 H7 N O0 S8 Sb4 -","- C2 H7 N S8 Sb4 -","- C8 H28 N4 S32 Sb16 -","4","0.5","","Nie, Lina; Zhang, Yu; Xiong, Wei-Wei; Lim, Teik-Thye; Xu, Rong; Yan, Qingyu; Zhang, Qichun","A surfactant-thermal method to prepare crystalline thioantimonate for high-performance lithium-ion batteries","Inorganic Chemistry Frontiers","2016","3","1","111","","10.1039/C5QI00194C","","","0.71073","MoKα","","0.0519","0.0505","","","0.1554","0.157","","","","","","1.096","","","","has coordinates","233540","2020-10-21","18:00:00",""
"4349010","8.601","0.002","20.178","0.004","25.138","0.005","90","","90","","90","","4362.7","1.6","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","Compound3b","","","- C46 H48 Gd2 N2 O14 -","- C46 H46 Gd2 N2 O14 -","- C184 H184 Gd8 N8 O56 -","4","0.5","","Mukherjee, Soumya; Lu, Jingjing; Velmurugan, Gunasekaran; Singh, Shweta; Rajaraman, Gopalan; Tang, Jinkui; Ghosh, Sujit K.","Influence of Tuned Linker Functionality on Modulation of Magnetic Properties and Relaxation Dynamics in a Family of Six Isotypic Ln<sub>2</sub> (Ln = Dy and Gd) Complexes.","Inorganic chemistry","2016","55","21","11283","11298","10.1021/acs.inorgchem.6b01863","","","0.71073","MoKα","","0.0663","0.0397","","","0.1041","0.1238","","","","","","0.794","","","","has coordinates","233541","2020-10-21","18:00:00",""
"4349011","18.745","0.006","15.93","0.005","18.388","0.006","90","","119.316","0.007","90","","4788","3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Compound1b","","","- C48 H52 Gd2 N2 O14 -","- C48 H50 Gd2 N2 O14 -","- C192 H200 Gd8 N8 O56 -","4","1","","Mukherjee, Soumya; Lu, Jingjing; Velmurugan, Gunasekaran; Singh, Shweta; Rajaraman, Gopalan; Tang, Jinkui; Ghosh, Sujit K.","Influence of Tuned Linker Functionality on Modulation of Magnetic Properties and Relaxation Dynamics in a Family of Six Isotypic Ln<sub>2</sub> (Ln = Dy and Gd) Complexes.","Inorganic chemistry","2016","55","21","11283","11298","10.1021/acs.inorgchem.6b01863","","","0.71073","MoKα","","0.0576","0.0347","","","0.0652","0.0739","","","","","","1.009","","","","has coordinates","233542","2020-10-21","18:00:00",""
"4349012","10.46","0.002","12.325","0.002","18.253","0.004","90","","94.73","0.03","90","","2345.2","0.8","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C50 H53 Mn2 N6 O9 -","- C50 H53 Mn2 N6 O9 -","- C100 H106 Mn4 N12 O18 -","2","0.5","","Fanna, Daniel J.; Zhang, Yingjie; Li, Li; Karatchevtseva, Inna; Shepherd, Nicholas D.; Azim, Abdul; Price, Jason R.; Aldrich-Wright, Janice; Reynolds, Jason K.; Li, Feng","3d transition metal complexes with a julolidine‒quinoline based ligand: structures, spectroscopy and optical properties","Inorganic Chemistry Frontiers","2016","3","2","286","","10.1039/C5QI00200A","","","0.71074","silicondoublecrystalmonochromatedsynchrotron","","0.0804","0.0638","","","0.1674","0.1797","","","","","","1.038","","","","has coordinates","233543","2020-10-21","18:00:00",""
"4349013","20.534","0.004","13.565","0.003","15.695","0.003","90","","125.65","0.03","90","","3552.4","1.8","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C22 H21 N3 Ni0.5 O1.5 -","- C22 H21 N3 Ni0.5 O1.5 -","- C176 H168 N24 Ni4 O12 -","8","1","","Fanna, Daniel J.; Zhang, Yingjie; Li, Li; Karatchevtseva, Inna; Shepherd, Nicholas D.; Azim, Abdul; Price, Jason R.; Aldrich-Wright, Janice; Reynolds, Jason K.; Li, Feng","3d transition metal complexes with a julolidine‒quinoline based ligand: structures, spectroscopy and optical properties","Inorganic Chemistry Frontiers","2016","3","2","286","","10.1039/C5QI00200A","","","0.71074","silicondoublecrystalmonochromatedsynchrotron","","0.0383","0.034","","","0.086","0.0883","","","","","","1.082","","","","has coordinates","233543","2020-10-21","18:00:00",""
"4349014","8.927","0.0018","23.859","0.005","29.072","0.006","90","","98.29","0.03","90","","6127","2","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C73 H73 Cu3 N9 O10 -","- C73 H73 Cu3 N9 O10 -","- C292 H292 Cu12 N36 O40 -","4","1","","Fanna, Daniel J.; Zhang, Yingjie; Li, Li; Karatchevtseva, Inna; Shepherd, Nicholas D.; Azim, Abdul; Price, Jason R.; Aldrich-Wright, Janice; Reynolds, Jason K.; Li, Feng","3d transition metal complexes with a julolidine‒quinoline based ligand: structures, spectroscopy and optical properties","Inorganic Chemistry Frontiers","2016","3","2","286","","10.1039/C5QI00200A","","","0.71074","silicondoublecrystalmonochromatedsynchrotron","","0.0894","0.0816","","","0.2296","0.235","","","","","","1.079","","","","has coordinates,has disorder","233543","2020-10-21","18:00:00",""
"4349015","12.804","0.003","17.462","0.003","19.515","0.004","87.2","0.03","88.48","0.03","89.9","0.03","4356.5","1.6","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C49 H50 N6 O7 Zn2 -","- C49 H50 N6 O7 Zn2 -","- C196 H200 N24 O28 Zn8 -","4","2","","Fanna, Daniel J.; Zhang, Yingjie; Li, Li; Karatchevtseva, Inna; Shepherd, Nicholas D.; Azim, Abdul; Price, Jason R.; Aldrich-Wright, Janice; Reynolds, Jason K.; Li, Feng","3d transition metal complexes with a julolidine‒quinoline based ligand: structures, spectroscopy and optical properties","Inorganic Chemistry Frontiers","2016","3","2","286","","10.1039/C5QI00200A","","","0.71074","silicondoublecrystalmonochromatedsynchrotron","","0.0691","0.062","","","0.1658","0.1704","","","","","","1.085","","","","has coordinates","233543","2020-10-21","18:00:00",""
"4349016","21.9","0.004","18.01","0.004","23.63","0.005","90","","101.89","0.03","90","","9120","3","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C45 H44 Co N7 O6 -","- C45 H44 Co N7 O6 -","- C360 H352 Co8 N56 O48 -","8","2","","Fanna, Daniel J.; Zhang, Yingjie; Li, Li; Karatchevtseva, Inna; Shepherd, Nicholas D.; Azim, Abdul; Price, Jason R.; Aldrich-Wright, Janice; Reynolds, Jason K.; Li, Feng","3d transition metal complexes with a julolidine‒quinoline based ligand: structures, spectroscopy and optical properties","Inorganic Chemistry Frontiers","2016","3","2","286","","10.1039/C5QI00200A","","","0.71074","silicondoublecrystalmonochromatedsynchrotron","","0.0877","0.0808","","","0.2523","0.2594","","","","","","1.104","","","","has coordinates","233543","2020-10-21","18:00:00",""
"4349017","8.895","0.004","12.546","0.006","22.112","0.01","90","","93.835","0.01","90","","2462","2","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","Compound2a","","","- C54 H56 Dy2 N2 O14 -","- C54 H54 Dy2 N2 O14 -","- C108 H108 Dy4 N4 O28 -","2","0.5","","Mukherjee, Soumya; Lu, Jingjing; Velmurugan, Gunasekaran; Singh, Shweta; Rajaraman, Gopalan; Tang, Jinkui; Ghosh, Sujit K.","Influence of Tuned Linker Functionality on Modulation of Magnetic Properties and Relaxation Dynamics in a Family of Six Isotypic Ln<sub>2</sub> (Ln = Dy and Gd) Complexes.","Inorganic chemistry","2016","55","21","11283","11298","10.1021/acs.inorgchem.6b01863","","","0.71073","MoKα","","0.0418","0.0363","","","0.1021","0.1154","","","","","","0.896","","","","has coordinates","233544","2020-10-21","18:00:00",""
"4349018","20.1159","0.0006","15.8862","0.0005","20.4047","0.0006","90","","90","","90","","6520.6","0.3","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","Dr Cho K1","","","- C35 H48 B2 N4 Ni -","- C35 H48 B2 N4 Ni -","- C280 H384 B16 N32 Ni8 -","8","1","","Tak, Hyeonwoo; Lee, Hyunjoo; Kang, Joongoo; Cho, Jaeheung","A high-spin nickel(ii) borohydride complex in dehalogenation","Inorganic Chemistry Frontiers","2016","3","1","157","","10.1039/C5QI00206K","","","0.71073","","","0.0573","0.0524","","","0.1251","0.1291","","","","","","1.07","","","","has coordinates","233545","2020-10-21","18:00:00",""
"4349019","18.09","0.0002","11.6556","0.0001","25.8637","0.0003","90","","90.175","0.001","90","","5453.33","0.1","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Ni(TACN)(MeCN)2(BPh4)2 100K","","","- C63 H70 B2 N6 Ni -","- C63 H70 B2 N6 Ni -","- C252 H280 B8 N24 Ni4 -","4","1","","Tak, Hyeonwoo; Lee, Hyunjoo; Kang, Joongoo; Cho, Jaeheung","A high-spin nickel(ii) borohydride complex in dehalogenation","Inorganic Chemistry Frontiers","2016","3","1","157","","10.1039/C5QI00206K","","","0.71073","","","0.0361","0.0303","","","0.0775","0.0807","","","","","","1.03","","","","has coordinates","233545","2020-10-21","18:00:00",""
"4349020","8.5153","0.0009","17.0101","0.0019","18.034","0.002","74.521","0.002","80.59","0.003","80.393","0.003","2462.6","0.5","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C52 H48 Gd2 N2 O12 -","- C52 H46 Gd2 N2 O12 -","- C104 H92 Gd4 N4 O24 -","2","1","","Mukherjee, Soumya; Lu, Jingjing; Velmurugan, Gunasekaran; Singh, Shweta; Rajaraman, Gopalan; Tang, Jinkui; Ghosh, Sujit K.","Influence of Tuned Linker Functionality on Modulation of Magnetic Properties and Relaxation Dynamics in a Family of Six Isotypic Ln<sub>2</sub> (Ln = Dy and Gd) Complexes.","Inorganic chemistry","2016","55","21","11283","11298","10.1021/acs.inorgchem.6b01863","","","0.71073","MoKα","","0.0712","0.0458","","","0.1531","0.1753","","","","","","1.192","","","","has coordinates","233546","2020-10-21","18:00:00",""
"4349021","6.2789","0.0003","9.0295","0.0006","14.8336","0.0009","90","","92.585","0.002","90","","840.14","0.09","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C4 H9 Gd O8 -","- C4 H9 Gd O8 -","- C16 H36 Gd4 O32 -","4","1","","Qiu, Jiang-Zhen; Chen, Yan-Cong; Wang, Long-Fei; Li, Quan-wen; Orendáč, Martin; Tong, Ming-Liang","The effect of magnetic coupling on magneto-caloric behaviour in two 3D Gd(iii)‒glycolate coordination polymers","Inorganic Chemistry Frontiers","2016","3","1","150","","10.1039/C5QI00208G","","","0.71073","MoKα","","0.0311","0.0292","","","0.0719","0.0729","","","","","","1.035","","","","has coordinates","233547","2020-10-21","18:00:00",""
"4349022","8.1242","0.0011","8.0394","0.0013","8.4324","0.0012","90","","117.49","0.004","90","","488.57","0.13","150","2","150","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C6 H9 Gd O9 -","- C6 H9 Gd O9 -","- C12 H18 Gd2 O18 -","2","1","","Qiu, Jiang-Zhen; Chen, Yan-Cong; Wang, Long-Fei; Li, Quan-wen; Orendáč, Martin; Tong, Ming-Liang","The effect of magnetic coupling on magneto-caloric behaviour in two 3D Gd(iii)‒glycolate coordination polymers","Inorganic Chemistry Frontiers","2016","3","1","150","","10.1039/C5QI00208G","","","0.71073","MoKα","","0.046","0.0423","","","0.0914","0.1001","","","","","","1.099","","","","has coordinates","233547","2020-10-21","18:00:00",""
"4349023","8.637","0.0011","14.4827","0.0018","17.3","0.002","90","","101.278","0.002","90","","2122.2","0.5","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C44 H44 Dy2 N2 O12 -","- C44 H42 Dy2 N2 O12 -","- C88 H84 Dy4 N4 O24 -","2","0.5","","Mukherjee, Soumya; Lu, Jingjing; Velmurugan, Gunasekaran; Singh, Shweta; Rajaraman, Gopalan; Tang, Jinkui; Ghosh, Sujit K.","Influence of Tuned Linker Functionality on Modulation of Magnetic Properties and Relaxation Dynamics in a Family of Six Isotypic Ln<sub>2</sub> (Ln = Dy and Gd) Complexes.","Inorganic chemistry","2016","55","21","11283","11298","10.1021/acs.inorgchem.6b01863","","","0.71073","MoKα","","0.0507","0.0305","","","0.0708","0.0725","","","","","","2.169","","","","has coordinates","233548","2020-10-21","18:00:00",""
"4349024","12.971","0.0006","13.7364","0.0006","26.013","0.0011","79.687","0.001","81.655","0.001","67.106","0.001","4186.2","0.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","1-Co","","- C164 H188 Co8 N8 O50 S8 -","- C164 H184 Co8 N8 O50 S8 -","- C164 H184 Co8 N8 O50 S8 -","1","0.5","","Dai, Feng-Rong; Qiao, Yupu; Wang, Zhenqiang","Designing structurally tunable and functionally versatile synthetic supercontainers","Inorganic Chemistry Frontiers","2016","3","2","243","","10.1039/C5QI00212E","","","0.71073","MoKα","","0.0927","0.0803","","","0.2101","0.2233","","","","","","1.056","","","","has coordinates,has disorder","233549","2020-10-21","18:00:00",""
"4349025","17.1548","0.0012","17.1548","0.0012","37.599","0.003","90","","90","","90","","11064.9","1.4","100","2","100","2","","","","","","","","6","P 4/m n c","-P 4 2n","128","","2-Co","","- C140 H136 Co8 N4 O42 S8 -","- C140 H120 Co8 N4 O42 S8 -","- C280 H240 Co16 N8 O84 S16 -","2","0.125","","Dai, Feng-Rong; Qiao, Yupu; Wang, Zhenqiang","Designing structurally tunable and functionally versatile synthetic supercontainers","Inorganic Chemistry Frontiers","2016","3","2","243","","10.1039/C5QI00212E","","","0.71073","MoKα","","0.1136","0.0828","","","0.2373","0.2622","","","","","","1.088","","","","has coordinates","233549","2020-10-21","18:00:00",""
"4349026","12.968","0.002","13.91","0.003","27.919","0.005","79.284","0.002","83.244","0.002","67.342","0.002","4560.5","1.5","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","3-Ni","","- C144 H144 N4 Ni8 O42 S8 -","- C144 H140 N4 Ni8 O42 S8 -","- C144 H140 N4 Ni8 O42 S8 -","1","0.5","","Dai, Feng-Rong; Qiao, Yupu; Wang, Zhenqiang","Designing structurally tunable and functionally versatile synthetic supercontainers","Inorganic Chemistry Frontiers","2016","3","2","243","","10.1039/C5QI00212E","","","0.71073","MoKα","","0.0631","0.0487","","","0.1341","0.141","","","","","","1.078","","","","has coordinates","233549","2020-10-21","18:00:00",""
"4349027","19.978","0.002","29.28","0.004","18.961","0.002","90","","118.716","0.002","90","","9727.2","1.9","100","2","100","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C20 H48 Ag4 B48 Cl44 N8 -","- C20 H48 Ag4 B48 Cl44 N8 -","- C80 H192 Ag16 B192 Cl176 N32 -","4","1","","Saleh, Mahmoud; Powell, Douglas R.; Wehmschulte, Rudolf J.","Chlorination of 1-Carba-closo-dodecaborate and 1-Ammonio-closo-dodecaborate Anions.","Inorganic chemistry","2016","55","20","10617","10627","10.1021/acs.inorgchem.6b01867","","","0.71073","MoKα","","0.0302","0.0258","","","0.0607","0.0634","","","","","","0.984","","","","has coordinates","288505","2023-12-22","15:12:02",""
"4349028","19.552","0.002","9.8336","0.0013","27.237","0.004","90","","91.846","0.002","90","","5234","1.2","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C7 H19 Al B12 Cl11 N -","- C7 H19 Al B12 Cl11 N -","- C56 H152 Al8 B96 Cl88 N8 -","8","2","","Saleh, Mahmoud; Powell, Douglas R.; Wehmschulte, Rudolf J.","Chlorination of 1-Carba-closo-dodecaborate and 1-Ammonio-closo-dodecaborate Anions.","Inorganic chemistry","2016","55","20","10617","10627","10.1021/acs.inorgchem.6b01867","","","0.71073","MoKα","","0.0947","0.0634","","","0.161","0.1796","","","","","","1.017","","","","has coordinates","288505","2023-12-22","15:12:02",""
"4349029","10.2771","0.0016","17.981","0.003","19.097","0.003","90","","114.651","0.0019","90","","3207.4","0.9","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C17 H45.85 B12 Cl6.15 N2 -","- C17 H45.853 B12 Cl6.147 N2 -","- C68 H183.412 B48 Cl24.588 N8 -","4","1","","Saleh, Mahmoud; Powell, Douglas R.; Wehmschulte, Rudolf J.","Chlorination of 1-Carba-closo-dodecaborate and 1-Ammonio-closo-dodecaborate Anions.","Inorganic chemistry","2016","55","20","10617","10627","10.1021/acs.inorgchem.6b01867","","","0.71073","MoKα","","0.0781","0.0622","","","0.1495","0.1633","","","","","","0.997","","","","has coordinates,has disorder","288505","2023-12-22","15:12:02",""
"4349030","9.8551","0.0005","10.0192","0.0006","14.2431","0.0007","87.11","0.002","78.367","0.002","65.0268","0.0019","1247.74","0.12","103","2","103","2","","","","","","","","5","P -1","-P 1","2","ArICOOMe-BIAN","","","- C28 H18 I2 N2 O4 -","- C28 H18 I2 N2 O4 -","- C56 H36 I4 N4 O8 -","2","1","","Kee, J. W.; Ng, Y. Y.; Kulkarni, S. A.; Muduli, S. K.; Xu, K.; Ganguly, R.; Lu, Y.; Hirao, H.; Soo, H. S.","Development of bis(arylimino)acenaphthene (BIAN) copper complexes as visible light harvesters for potential photovoltaic applications","Inorganic Chemistry Frontiers","2016","3","5","651","","10.1039/C5QI00221D","","","0.71073","MoKα","","0.0502","0.0333","","","0.0664","0.0744","","","","","","1.011","","","","has coordinates","233551","2020-10-21","18:00:00",""
"4349031","11.844","0.004","13.707","0.005","20.634","0.008","94.692","0.007","97.346","0.007","113.076","0.005","3024.4","1.9","103","2","103","2","","","","","","","","9","P -1","-P 1","2","[ArICOOMe-BIAN]2Cu(PF6)","","","- C58 H40 Cl4 Cu F6 I4 N4 O8 P -","- C58 H40 Cl4 Cu F6 I4 N4 O8 P -","- C116 H80 Cl8 Cu2 F12 I8 N8 O16 P2 -","2","1","","Kee, J. W.; Ng, Y. Y.; Kulkarni, S. A.; Muduli, S. K.; Xu, K.; Ganguly, R.; Lu, Y.; Hirao, H.; Soo, H. S.","Development of bis(arylimino)acenaphthene (BIAN) copper complexes as visible light harvesters for potential photovoltaic applications","Inorganic Chemistry Frontiers","2016","3","5","651","","10.1039/C5QI00221D","","","0.71073","MoKα","","0.1677","0.0865","","","0.1658","0.2071","","","","","","1.076","","","","has coordinates,has disorder","233551","2020-10-21","18:00:00",""
"4349032","15.3314","0.0009","15.4957","0.0009","18.5347","0.001","98.846","0.004","110.128","0.003","98.427","0.004","3989.7","0.4","153","2","153","2","","","","","","","","8","P -1","-P 1","2","[ArICOOMe-BIAN]2Cu(PF)6","","","- C82 H75 Cu F6 I4 N4 O11 P -","- C82 H75 Cu F6 I4 N4 O11 P -","- C164 H150 Cu2 F12 I8 N8 O22 P2 -","2","1","","Kee, J. W.; Ng, Y. Y.; Kulkarni, S. A.; Muduli, S. K.; Xu, K.; Ganguly, R.; Lu, Y.; Hirao, H.; Soo, H. S.","Development of bis(arylimino)acenaphthene (BIAN) copper complexes as visible light harvesters for potential photovoltaic applications","Inorganic Chemistry Frontiers","2016","3","5","651","","10.1039/C5QI00221D","","","0.71073","MoKα","","0.1914","0.084","","","0.2135","0.2916","","","","","","1.115","","","","has coordinates,has disorder","233551","2020-10-21","18:00:00",""
"4349033","22.198","0.0014","22.198","0.0013","22.198","0.0013","90","","90","","90","","10938.1","1.1","293","2","293","2","","","","","","","","5","P 4 3 2","P 4 2 3","207","","","","- C28 H18 Cd N4 O4 -","- C28 H18 Cd N4 O4 -","- C336 H216 Cd12 N48 O48 -","12","0.5","","Li, Yu-Ling; Zhao, Yue; Wang, Peng; Kang, Yan-Shang; Liu, Qing; Zhang, Xiu-Du; Sun, Wei-Yin","Multifunctional Metal-Organic Frameworks with Fluorescent Sensing and Selective Adsorption Properties.","Inorganic chemistry","2016","55","22","11821","11830","10.1021/acs.inorgchem.6b01869","","","0.71073","MoKα","","0.0618","0.0416","","","0.0912","0.1024","","","","","","0.824","","","","has coordinates","233552","2020-10-21","18:00:00",""
"4349034","8.945","0.005","14.856","0.005","19.861","0.005","91.644","0.005","101.974","0.005","93.755","0.005","2573.9","1.8","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C100 H110 Cd3 N16 O26 -","- C100 H110 Cd3 N16 O26 -","- C100 H110 Cd3 N16 O26 -","1","0.5","","Li, Yu-Ling; Zhao, Yue; Wang, Peng; Kang, Yan-Shang; Liu, Qing; Zhang, Xiu-Du; Sun, Wei-Yin","Multifunctional Metal-Organic Frameworks with Fluorescent Sensing and Selective Adsorption Properties.","Inorganic chemistry","2016","55","22","11821","11830","10.1021/acs.inorgchem.6b01869","","","0.71073","MoKα","","0.0441","0.034","","","0.0917","0.108","","","","","","1.082","","","","has coordinates,has disorder","233552","2020-10-21","18:00:00",""
"4349035","11.1292","0.0008","11.2334","0.0008","20.703","0.0016","97.367","0.004","101.318","0.004","92.721","0.004","2509.9","0.3","110","2","110","2","","","","","","","","5","P -1","-P 1","2","","","","- C48 H63 Dy O15 W3 -","- C48 H63 Dy O15 W3 -","- C96 H126 Dy2 O30 W6 -","2","1","","Dickie, Courtney M.; Nippe, Michael","Magnetization dynamics of a heterometallic Dy-isocarbonyl complex","Inorganic Chemistry Frontiers","2016","3","1","97","","10.1039/C5QI00224A","","","0.71073","MoKα","","0.0702","0.0431","","","0.089","0.1027","","","","","","1.035","","","","has coordinates,has disorder","233553","2020-10-21","18:00:00",""
"4349036","24.182","0.001","38.2416","0.0014","35.4693","0.0019","90","","99.723","0.002","90","","32329","2","90","","90","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C332 H436 Cd2 Dy2 N40 O46 -","- C332 H436 Cd2 Dy2 N40 O46 -","- C1328 H1744 Cd8 Dy8 N160 O184 -","4","0.5","","Horii, Yoji; Katoh, Keiichi; Cosquer, Goulven; Breedlove, Brian K.; Yamashita, Masahiro","Weak Dy<sup>III</sup>-Dy<sup>III</sup> Interactions in Dy<sup>III</sup>-Phthalocyaninato Multiple-Decker Single-Molecule Magnets Effectively Suppress Magnetic Relaxation.","Inorganic chemistry","2016","55","22","11782","11790","10.1021/acs.inorgchem.6b01870","","","0.71073","MoKα","","0.2193","0.1101","","","0.2904","0.3771","","","","","","1.022","","","","has coordinates","233554","2020-10-21","18:00:00",""
"4349037","12.8662","0.0004","12.9465","0.0004","15.7376","0.0005","107.789","0.001","98.435","0.001","110.087","0.001","2249.57","0.13","301","2","301","2","","","","","","","","7","P -1","-P 1","2","","","","- C52 H40 Cu F6 N4 O4 P -","- C52 H40 Cu F6 N4 O4 P -","- C104 H80 Cu2 F12 N8 O8 P2 -","2","1","","Tong, King-Lung; Yee, Chi-Chung; Tse, Yuen Cheong; Au-Yeung, Ho Yu","Discoveries from a phenanthroline-based dynamic combinatorial library: catenane from a copper(i) or copper(ii) template?","Inorganic Chemistry Frontiers","2016","3","3","348","","10.1039/C5QI00227C","","","0.71073","MoKα","","0.0668","0.0477","","","0.1224","0.1328","","","","","","1.035","","","","has coordinates","233555","2020-10-21","18:00:00",""
"4349038","8.4793","0.0003","8.9464","0.0003","11.1491","0.0004","89.797","0.001","85.558","0.001","74.37","0.001","811.91","0.05","300","2","300","2","","","","","","","","6","P -1","-P 1","2","","","","- C16 H16 Cl2 Cu N2 O2 -","- C16 H16 Cl2 Cu N2 O2 -","- C32 H32 Cl4 Cu2 N4 O4 -","2","1","","Tong, King-Lung; Yee, Chi-Chung; Tse, Yuen Cheong; Au-Yeung, Ho Yu","Discoveries from a phenanthroline-based dynamic combinatorial library: catenane from a copper(i) or copper(ii) template?","Inorganic Chemistry Frontiers","2016","3","3","348","","10.1039/C5QI00227C","","","0.71073","MoKα","","0.0306","0.028","","","0.0791","0.0808","","","","","","1.081","","","","has coordinates","233555","2020-10-21","18:00:00",""
"4349039","25.601","0.005","25.899","0.006","29.539","0.006","86.578","0.006","68.741","0.006","89.926","0.007","18216","7","103","","103","","","","","","","","","8","P -1","-P 1","2","","","","- C390 H384 Cd2 Cl9 Dy2 N65 O32 Y2 -","- C390 H386 Cd2 Cl9 Dy2 N65 O32 Y2 -","- C780 H772 Cd4 Cl18 Dy4 N130 O64 Y4 -","2","1","","Horii, Yoji; Katoh, Keiichi; Cosquer, Goulven; Breedlove, Brian K.; Yamashita, Masahiro","Weak Dy<sup>III</sup>-Dy<sup>III</sup> Interactions in Dy<sup>III</sup>-Phthalocyaninato Multiple-Decker Single-Molecule Magnets Effectively Suppress Magnetic Relaxation.","Inorganic chemistry","2016","55","22","11782","11790","10.1021/acs.inorgchem.6b01870","","","0.71075","MoKα","","0.1574","0.1082","","","0.215","0.2483","","","","","","1.131","","","","has coordinates,has disorder","233556","2020-10-21","18:00:00",""
"4349040","12.5255","0.0006","13.5961","0.0005","14.7509","0.0008","90","","95.954","0.004","90","","2498.5","0.2","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","[(2-NO2-4-Me-PyMa)Ni(Mes)Br]","[(2-NO2-4-Me-PyMa)Ni(Mes)Br]","","- C23 H24 Br Cl2 N3 Ni O2 -","- C23 H24 Br Cl2 N3 Ni O2 -","- C92 H96 Br4 Cl8 N12 Ni4 O8 -","4","1","","Biewer, Christian; Hamacher, Claudia; Kaiser, Andre; Vogt, Nicolas; Sandleben, Aaron; Chin, Mason T.; Yu, Siqi; Vicic, David A.; Klein, Axel","Unsymmetrical N-Aryl-1-(pyridin-2-yl)methanimine Ligands in Organonickel(II) Complexes: More Than a Blend of 2,2'-Bipyridine and N,N-Diaryl-α-diimines?","Inorganic chemistry","2016","55","24","12716","12727","10.1021/acs.inorgchem.6b01874","","","0.71073","MoKα","","0.0891","0.0449","","","0.1077","0.1263","","","","","","0.992","","","","has coordinates","233557","2020-10-21","18:00:00",""
"4349041","8.7222","0.001","16.1602","0.0015","15.6064","0.0016","90","","104.66","0.009","90","","2128.1","0.4","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","[(3,5Me-PyMa)Ni(Mes)Br]","[(3,5Me-PyMa)Ni(Mes)Br]","","- C23 H25 Br N2 Ni -","- C23 H25 Br N2 Ni -","- C92 H100 Br4 N8 Ni4 -","4","1","","Biewer, Christian; Hamacher, Claudia; Kaiser, Andre; Vogt, Nicolas; Sandleben, Aaron; Chin, Mason T.; Yu, Siqi; Vicic, David A.; Klein, Axel","Unsymmetrical N-Aryl-1-(pyridin-2-yl)methanimine Ligands in Organonickel(II) Complexes: More Than a Blend of 2,2'-Bipyridine and N,N-Diaryl-α-diimines?","Inorganic chemistry","2016","55","24","12716","12727","10.1021/acs.inorgchem.6b01874","","","0.71073","MoKα","","0.2544","0.0536","","","0.0772","0.1172","","","","","","0.708","","","","has coordinates","233557","2020-10-21","18:00:00",""
"4349042","8.502","0.0019","15.4514","0.0019","15.738","0.004","90","","97.731","0.019","90","","2048.7","0.7","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","[(NO2-PyMa)Ni(Mes)Br]","[(NO2-PyMa)Ni(Mes)Br]","","- C21 H20 Br N3 Ni O2 -","- C21 H20 Br N3 Ni O2 -","- C84 H80 Br4 N12 Ni4 O8 -","4","1","","Biewer, Christian; Hamacher, Claudia; Kaiser, Andre; Vogt, Nicolas; Sandleben, Aaron; Chin, Mason T.; Yu, Siqi; Vicic, David A.; Klein, Axel","Unsymmetrical N-Aryl-1-(pyridin-2-yl)methanimine Ligands in Organonickel(II) Complexes: More Than a Blend of 2,2'-Bipyridine and N,N-Diaryl-α-diimines?","Inorganic chemistry","2016","55","24","12716","12727","10.1021/acs.inorgchem.6b01874","","","0.71073","MoKα","","0.1714","0.0454","","","0.0606","0.0822","","","","","","0.766","","","","has coordinates","233557","2020-10-21","18:00:00",""
"4349043","11.7586","0.001","13.383","0.0011","15.4157","0.0012","82.802","0.006","68.13","0.006","78.74","0.007","2204.3","0.3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","[(2-CF3-PyMa)Ni(Mes)Br]","[(2-CF3-PyMa)Ni(Mes)Br]","","- C22 H20 Br F3 N2 Ni -","- C22 H20 Br F3 N2 Ni -","- C88 H80 Br4 F12 N8 Ni4 -","4","2","","Biewer, Christian; Hamacher, Claudia; Kaiser, Andre; Vogt, Nicolas; Sandleben, Aaron; Chin, Mason T.; Yu, Siqi; Vicic, David A.; Klein, Axel","Unsymmetrical N-Aryl-1-(pyridin-2-yl)methanimine Ligands in Organonickel(II) Complexes: More Than a Blend of 2,2'-Bipyridine and N,N-Diaryl-α-diimines?","Inorganic chemistry","2016","55","24","12716","12727","10.1021/acs.inorgchem.6b01874","","","0.71073","MoKα","","0.2666","0.0463","","","0.0531","0.0892","","","","","","0.745","","","","has coordinates","254024","2020-10-21","18:00:00",""
"4349044","23.189","0.003","23.189","0.003","20.121","0.002","90","","90","","120","","9370","2","293","2","293","2","","","","","","","","5","R 3 c :H","R 3 -2""c","161","[(PyMa)Ni(Mes)Cl]","","","- C21 H21 Cl N2 Ni -","- C21 H21 Cl N2 Ni -","- C378 H378 Cl18 N36 Ni18 -","18","1","","Biewer, Christian; Hamacher, Claudia; Kaiser, Andre; Vogt, Nicolas; Sandleben, Aaron; Chin, Mason T.; Yu, Siqi; Vicic, David A.; Klein, Axel","Unsymmetrical N-Aryl-1-(pyridin-2-yl)methanimine Ligands in Organonickel(II) Complexes: More Than a Blend of 2,2'-Bipyridine and N,N-Diaryl-α-diimines?","Inorganic chemistry","2016","55","24","12716","12727","10.1021/acs.inorgchem.6b01874","","","0.71073","MoKα","","0.2137","0.0704","","","0.1602","0.1937","","","","","","0.73","","","","has coordinates","233557","2020-10-21","18:00:00",""
"4349045","38.624","0.009","8.1059","0.001","15.397","0.003","90","","109.34","","90","","4548.5","1.5","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","[(MesPyMA)Ni(Mes)Br]","","","- C24 H27 Br N2 Ni -","- C24 H27 Br N2 Ni -","- C192 H216 Br8 N16 Ni8 -","8","1","","Biewer, Christian; Hamacher, Claudia; Kaiser, Andre; Vogt, Nicolas; Sandleben, Aaron; Chin, Mason T.; Yu, Siqi; Vicic, David A.; Klein, Axel","Unsymmetrical N-Aryl-1-(pyridin-2-yl)methanimine Ligands in Organonickel(II) Complexes: More Than a Blend of 2,2'-Bipyridine and N,N-Diaryl-α-diimines?","Inorganic chemistry","2016","55","24","12716","12727","10.1021/acs.inorgchem.6b01874","","","0.71073","MoKα","","0.2145","0.0819","","","0.1518","0.2011","","","","","","0.978","","","","has coordinates","233557","2020-10-21","18:00:00",""
"4349046","15.8287","0.0007","8.0192","0.0002","15.2124","0.0006","90","","93.851","0.004","90","","1926.6","0.12","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","[(PyMA)Ni(Mes)Br]","[(N-(Pyridin-2-yl-methylen)anilin)Nickel(mesityl)bromid]","","- C21 H21 Br N2 Ni -","- C21 H21 Br N2 Ni -","- C84 H84 Br4 N8 Ni4 -","4","1","","Biewer, Christian; Hamacher, Claudia; Kaiser, Andre; Vogt, Nicolas; Sandleben, Aaron; Chin, Mason T.; Yu, Siqi; Vicic, David A.; Klein, Axel","Unsymmetrical N-Aryl-1-(pyridin-2-yl)methanimine Ligands in Organonickel(II) Complexes: More Than a Blend of 2,2'-Bipyridine and N,N-Diaryl-α-diimines?","Inorganic chemistry","2016","55","24","12716","12727","10.1021/acs.inorgchem.6b01874","","","0.71073","MoKα","","0.0568","0.0441","","","0.1213","0.1308","","","","","","1.033","","","","has coordinates","233557","2020-10-21","18:00:00",""
"4349047","10.8322","0.001","15.9854","0.001","14.4541","0.0007","90","","90.793","0.004","90","","2502.6","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","[(i-Pr-PyMa)Ni(Mes)Br]","","","- C27 H33 Br N2 Ni -","- C27 H33 Br N2 Ni -","- C108 H132 Br4 N8 Ni4 -","4","1","","Biewer, Christian; Hamacher, Claudia; Kaiser, Andre; Vogt, Nicolas; Sandleben, Aaron; Chin, Mason T.; Yu, Siqi; Vicic, David A.; Klein, Axel","Unsymmetrical N-Aryl-1-(pyridin-2-yl)methanimine Ligands in Organonickel(II) Complexes: More Than a Blend of 2,2'-Bipyridine and N,N-Diaryl-α-diimines?","Inorganic chemistry","2016","55","24","12716","12727","10.1021/acs.inorgchem.6b01874","","","0.71073","MoKα","","0.1046","0.0563","","","0.1279","0.1458","","","","","","0.966","","","","has coordinates","233557","2020-10-21","18:00:00",""
"4349048","3.8588","0.0006","20.329","0.003","13.632","0.002","90","","89.554","0.014","90","","1069.3","0.3","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","4NO2-PyMA","","","- C12 H9 N3 O2 -","- C12 H9 N3 O2 -","- C48 H36 N12 O8 -","4","1","","Biewer, Christian; Hamacher, Claudia; Kaiser, Andre; Vogt, Nicolas; Sandleben, Aaron; Chin, Mason T.; Yu, Siqi; Vicic, David A.; Klein, Axel","Unsymmetrical N-Aryl-1-(pyridin-2-yl)methanimine Ligands in Organonickel(II) Complexes: More Than a Blend of 2,2'-Bipyridine and N,N-Diaryl-α-diimines?","Inorganic chemistry","2016","55","24","12716","12727","10.1021/acs.inorgchem.6b01874","","","1.54184","CuKα","","0.1723","0.1282","","","0.3013","0.3831","","","","","","1.212","","","","has coordinates","233557","2020-10-21","18:00:00",""
"4349049","15.199","0.003","15.322","0.003","16.472","0.004","116.33","0.003","93.43","0.003","102.116","0.003","3309.9","1.2","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C112 H138 Ba2 Co4 N18 O24 S12 -","- C112 H138 Ba2 Co4 N18 O24 S12 -","- C112 H138 Ba2 Co4 N18 O24 S12 -","1","0.5","","Wallen, Christian M.; Wielizcko, Marika; Bacsa, John; Scarborough, Christopher C.","Heterotrimetallic sandwich complexes supported by sulfonamido ligands","Inorganic Chemistry Frontiers","2016","3","1","142","","10.1039/C5QI00233H","","","0.71073","MoKα","","0.068","0.0502","","","0.1293","0.1429","","","","","","1.071","","","","has coordinates,has disorder","233558","2020-10-21","18:00:00",""
"4349050","16.5036","0.0015","25.928","0.002","22.811","0.002","90","","106.65","0.002","90","","9351.7","1.4","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C68 H154 Co2 N10 O14 S6 -","- C68 H154 Co2 N10 O14 S6 -","- C272 H616 Co8 N40 O56 S24 -","4","1","","Wallen, Christian M.; Wielizcko, Marika; Bacsa, John; Scarborough, Christopher C.","Heterotrimetallic sandwich complexes supported by sulfonamido ligands","Inorganic Chemistry Frontiers","2016","3","1","142","","10.1039/C5QI00233H","","","0.71073","MoKα","","0.1153","0.06","","","0.1363","0.1615","","","","","","1.025","","","","has coordinates,has disorder","233558","2020-10-21","18:00:00",""
"4349051","19.505","0.002","11.3473","0.0014","19.833","0.002","90","","99.185","0.002","90","","4333.3","0.8","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C34 H75 Co N5 O6 S3 -","- C34 H75 Co N5 O6 S3 -","- C136 H300 Co4 N20 O24 S12 -","4","1","","Wallen, Christian M.; Wielizcko, Marika; Bacsa, John; Scarborough, Christopher C.","Heterotrimetallic sandwich complexes supported by sulfonamido ligands","Inorganic Chemistry Frontiers","2016","3","1","142","","10.1039/C5QI00233H","","","0.71073","MoKα","","0.1176","0.0835","","","0.1963","0.2199","","","","","","1.077","","","","has coordinates,has disorder","233558","2020-10-21","18:00:00",""
"4349052","12.6571","0.0008","12.6571","0.0008","30.388","0.002","90","","90","","120","","4216","0.5","110","2","110","2","","","","","","","","7","R -3 :H","-R 3","148","","","","- C36 H78 Ba Co2 N8 O12 S6 -","- C36 H78 Ba Co2 N8 O12 S6 -","- C108 H234 Ba3 Co6 N24 O36 S18 -","3","0.166667","","Wallen, Christian M.; Wielizcko, Marika; Bacsa, John; Scarborough, Christopher C.","Heterotrimetallic sandwich complexes supported by sulfonamido ligands","Inorganic Chemistry Frontiers","2016","3","1","142","","10.1039/C5QI00233H","","","0.71073","MoKα","","0.0645","0.0627","","","0.1493","0.15","","","","","","1.357","","","","has coordinates,has disorder","233558","2020-10-21","18:00:00",""
"4349053","12.601","0.003","12.601","0.003","29.273","0.008","90","","90","","120","","4025.4","1.7","100","2","100","2","","","","","","","","7","R -3 :H","-R 3","148","","","","- C36 H78 Ca Co2 N8 O12 S6 -","- C36 H78 Ca Co2 N8 O12 S6 -","- C108 H234 Ca3 Co6 N24 O36 S18 -","3","0.166667","","Wallen, Christian M.; Wielizcko, Marika; Bacsa, John; Scarborough, Christopher C.","Heterotrimetallic sandwich complexes supported by sulfonamido ligands","Inorganic Chemistry Frontiers","2016","3","1","142","","10.1039/C5QI00233H","","","0.71073","MoKα","","0.058","0.0409","","","0.0988","0.1085","","","","","","1.032","","","","has coordinates,has disorder","233558","2020-10-21","18:00:00",""
"4349054","13.9236","0.0011","13.3642","0.001","17.295","0.0013","90","","112.355","0.001","90","","2976.4","0.4","109.01","","109.01","","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C54 H66 Ca Co2 N8 O12 S6 -","- C54 H66 Ca Co2 N8 O12 S6 -","- C108 H132 Ca2 Co4 N16 O24 S12 -","2","1","","Wallen, Christian M.; Wielizcko, Marika; Bacsa, John; Scarborough, Christopher C.","Heterotrimetallic sandwich complexes supported by sulfonamido ligands","Inorganic Chemistry Frontiers","2016","3","1","142","","10.1039/C5QI00233H","","","0.71073","MoKα","","0.0556","0.047","","","0.1076","0.1128","","","","","","1.009","","","","has coordinates","233558","2020-10-21","18:00:00",""
"4349055","12.684","0.002","12.684","0.002","27.867","0.006","90","","90","","120","","3882.7","1.2","100","2","100","2","","","","","","","","7","R -3 :H","-R 3","148","","","","- C36 H78 Co2 Mg N8 O12 S6 -","- C36 H78 Co2 Mg N8 O12 S6 -","- C108 H234 Co6 Mg3 N24 O36 S18 -","3","0.166667","","Wallen, Christian M.; Wielizcko, Marika; Bacsa, John; Scarborough, Christopher C.","Heterotrimetallic sandwich complexes supported by sulfonamido ligands","Inorganic Chemistry Frontiers","2016","3","1","142","","10.1039/C5QI00233H","","","0.71073","MoKα","","0.0418","0.0325","","","0.0797","0.0856","","","","","","1.059","","","","has coordinates","233558","2020-10-21","18:00:00",""
"4349056","12.638","0.004","12.638","0.004","29.797","0.008","90","","90","","120","","4122","2","100","2","100","2","","","","","","","","7","R -3 :H","-R 3","148","","","","- C36 H78 Co2 N8 O12 S6 Sr -","- C36 H78 Co2 N8 O12 S6 Sr -","- C108 H234 Co6 N24 O36 S18 Sr3 -","3","0.166667","","Wallen, Christian M.; Wielizcko, Marika; Bacsa, John; Scarborough, Christopher C.","Heterotrimetallic sandwich complexes supported by sulfonamido ligands","Inorganic Chemistry Frontiers","2016","3","1","142","","10.1039/C5QI00233H","","","0.71073","MoKα","","0.0413","0.0363","","","0.0904","0.0937","","","","","","1.066","","","","has coordinates,has disorder","233558","2020-10-21","18:00:00",""
"4349057","14.2734","0.0009","14.8425","0.0009","21.9158","0.0014","90","","102.461","0.001","90","","4533.6","0.5","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C43 H69 Co N5 O6 S3 -","- C43 H69 Co N5 O6 S3 -","- C172 H276 Co4 N20 O24 S12 -","4","1","","Wallen, Christian M.; Wielizcko, Marika; Bacsa, John; Scarborough, Christopher C.","Heterotrimetallic sandwich complexes supported by sulfonamido ligands","Inorganic Chemistry Frontiers","2016","3","1","142","","10.1039/C5QI00233H","","","0.71073","MoKα","","0.0919","0.0711","","","0.1711","0.189","","","","","","1.023","","","","has coordinates,has disorder","233558","2020-10-21","18:00:00",""
"4349058","29.583","0.007","16.185","0.004","25.822","0.006","90","","95.585","0.004","90","","12305","5","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C108 H138 Co4 N16 O27 S12 Sr2 -","- C108 H136 Co4 N16 O27 S12 Sr2 -","- C432 H544 Co16 N64 O108 S48 Sr8 -","4","1","","Wallen, Christian M.; Wielizcko, Marika; Bacsa, John; Scarborough, Christopher C.","Heterotrimetallic sandwich complexes supported by sulfonamido ligands","Inorganic Chemistry Frontiers","2016","3","1","142","","10.1039/C5QI00233H","","","0.71073","MoKα","","0.1207","0.063","","","0.135","0.1594","","","","","","1.033","","","","has coordinates","233558","2020-10-21","18:00:00",""
"4349059","12.067","0.009","13.342","0.01","19.291","0.013","90","","91.002","0.009","90","","3105","4","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C29 H30 Eu N7 O10 -","- C29 H30 Eu N7 O10 -","- C116 H120 Eu4 N28 O40 -","4","1","","Wen, Guo-Xuan; Wu, Ya-Pan; Dong, Wen-Wen; Zhao, Jun; Li, Dong-Sheng; Zhang, Jian","An Ultrastable Europium(III)-Organic Framework with the Capacity of Discriminating Fe<sup>2+</sup>/Fe<sup>3+</sup> Ions in Various Solutions.","Inorganic chemistry","2016","55","20","10114","10117","10.1021/acs.inorgchem.6b01876","","","0.71073","MoKα","","0.0393","0.0338","","","0.0902","0.108","","","","","","1.06","","","","has coordinates","233559","2020-10-21","18:00:00",""
"4349060","17.148","0.0016","19.0085","0.0018","24.8846","0.0019","90","","104.825","0.002","90","","7841.3","1.2","296","2","296","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C54 H72 Cl6 Cu2 Mo3 N6 S4 -","- C54 H70.2 Cl6 Cu2 Mo3 N6 S4 -","- C216 H280.8 Cl24 Cu8 Mo12 N24 S16 -","4","1","","Pino-Chamorro, Jose Ángel; Laricheva, Yuliya A.; Guillamón, Eva; Fernández-Trujillo, M Jesús; Algarra, Andrés G; Gushchin, Artem L.; Abramov, Pavel A.; Bustelo, Emilio; Llusar, Rosa; Sokolov, Maxim N.; Basallote, Manuel G.","Kinetics Aspects of the Reversible Assembly of Copper in Heterometallic Mo<sub>3</sub>CuS<sub>4</sub> Clusters with 4,4'-Di-tert-butyl-2,2'-bipyridine.","Inorganic chemistry","2016","55","19","9912","9922","10.1021/acs.inorgchem.6b01878","","","0.71073","MoKα","","0.0999","0.0597","","","0.1778","0.2018","","","","","","1.055","","","","has coordinates,has disorder","233560","2020-10-21","18:00:00",""
"4349061","26.809","0.005","15.1557","0.0016","16.959","0.003","90","","120.93","0.02","90","","5911","2","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C28 H49 Fe I N2 -","- C28 H49 Fe I N2 -","- C224 H392 Fe8 I8 N16 -","8","1","","Reiners, Matthias; Baabe, Dirk; Harms, Kristoffer; Maekawa, Miyuki; Daniliuc, Constantin G.; Freytag, Matthias; Jones, Peter G.; Walter, Marc D.","N-Heterocyclic carbene adducts to [Cp′FeI]2: synthesis and molecular and electronic structure","Inorganic Chemistry Frontiers","2016","3","2","250","","10.1039/C5QI00235D","","","1.54184","CuKα","","0.0736","0.0544","","","0.1212","0.1304","","","","","","1.033","","","","has coordinates","233561","2020-10-21","18:00:00",""
"4349062","9.35317","0.00012","18.27596","0.00018","17.01417","0.00016","90","","95.7372","0.0008","90","","2893.8","0.05","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C28 H49 Fe I N2 -","- C28 H49 Fe I N2 -","- C112 H196 Fe4 I4 N8 -","4","1","","Reiners, Matthias; Baabe, Dirk; Harms, Kristoffer; Maekawa, Miyuki; Daniliuc, Constantin G.; Freytag, Matthias; Jones, Peter G.; Walter, Marc D.","N-Heterocyclic carbene adducts to [Cp′FeI]2: synthesis and molecular and electronic structure","Inorganic Chemistry Frontiers","2016","3","2","250","","10.1039/C5QI00235D","","","0.71073","MoKα","","0.0251","0.0199","","","0.0414","0.0431","","","","","","1.055","","","","has coordinates","233561","2020-10-21","18:00:00",""
"4349063","9.7691","0.0004","38.5982","0.0014","9.6194","0.0004","90","","99.676","0.004","90","","3575.6","0.2","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C38 H53 Fe I N2 -","- C38 H53 Fe I N2 -","- C152 H212 Fe4 I4 N8 -","4","1","","Reiners, Matthias; Baabe, Dirk; Harms, Kristoffer; Maekawa, Miyuki; Daniliuc, Constantin G.; Freytag, Matthias; Jones, Peter G.; Walter, Marc D.","N-Heterocyclic carbene adducts to [Cp′FeI]2: synthesis and molecular and electronic structure","Inorganic Chemistry Frontiers","2016","3","2","250","","10.1039/C5QI00235D","","","0.71073","MoKα","","0.0684","0.0582","","","0.0957","0.0982","","","","","","1.328","","","","has coordinates","233561","2020-10-21","18:00:00",""
"4349064","18.479","0.0004","16.7584","0.0002","26.7961","0.0004","90","","90","","90","","8298.2","0.2","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C44 H65 Fe I N2 -","- C44 H65 Fe I N2 -","- C352 H520 Fe8 I8 N16 -","8","1","","Reiners, Matthias; Baabe, Dirk; Harms, Kristoffer; Maekawa, Miyuki; Daniliuc, Constantin G.; Freytag, Matthias; Jones, Peter G.; Walter, Marc D.","N-Heterocyclic carbene adducts to [Cp′FeI]2: synthesis and molecular and electronic structure","Inorganic Chemistry Frontiers","2016","3","2","250","","10.1039/C5QI00235D","","","1.54184","CuKα","","0.0327","0.0267","","","0.0622","0.065","","","","","","1.032","","","","has coordinates","233561","2020-10-21","18:00:00",""
"4349065","7.5587","0.0005","10.947","0.0007","23.1518","0.0014","90","","90","","90","","1915.7","0.2","150","2","150","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C19 H17 Cl Cu N6 O3 -","- C19 H17 Cl Cu N6 O3 -","- C76 H68 Cl4 Cu4 N24 O12 -","4","1","","Leite, Sílvia M G; Lima, Luís M P; Gama, Sofia; Mendes, Filipa; Orio, Maylis; Bento, Isabel; Paulo, António; Delgado, Rita; Iranzo, Olga","Copper(II) Complexes of Phenanthroline and Histidine Containing Ligands: Synthesis, Characterization and Evaluation of their DNA Cleavage and Cytotoxic Activity.","Inorganic chemistry","2016","55","22","11801","11814","10.1021/acs.inorgchem.6b01884","","","0.71073","MoKα","","0.0705","0.0456","","","0.0878","0.0998","","","","","","0.804","","","","has coordinates","233562","2020-10-21","18:00:00",""
"4349066","7.0381","0.0005","10.7231","0.0008","26.0409","0.0016","90","","90","","90","","1965.3","0.2","150","2","150","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C19 H17 Cl Cu N5 Na0.25 O5 -","- C19 H17 Cl Cu N5 Na0.25 O5 -","- C76 H68 Cl4 Cu4 N20 Na O20 -","4","1","","Leite, Sílvia M G; Lima, Luís M P; Gama, Sofia; Mendes, Filipa; Orio, Maylis; Bento, Isabel; Paulo, António; Delgado, Rita; Iranzo, Olga","Copper(II) Complexes of Phenanthroline and Histidine Containing Ligands: Synthesis, Characterization and Evaluation of their DNA Cleavage and Cytotoxic Activity.","Inorganic chemistry","2016","55","22","11801","11814","10.1021/acs.inorgchem.6b01884","","","0.71073","MoKα","","0.0603","0.0496","","","0.1256","0.1307","","","","","","1.045","","","","has coordinates","233563","2020-10-21","18:00:00",""
"4349067","9.1609","0.0018","12.811","0.003","14.754","0.003","87.65","0.03","85.1","0.03","89.56","0.03","1723.7","0.6","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C74 H60 N8 Ni2 O16 -","- C74 H58 N8 Ni2 O16 -","- C74 H58 N8 Ni2 O16 -","1","0.5","","Huang, Jing-Jing; Zhang, Xiao; Huo, Qi-Sheng; Yu, Jie-Hui; Xu, Ji-Qing","3,5-Bis((4′-carboxylbenzyl)oxy)benzoilate-based coordination polymers: their synthesis, structural characterization, and sensing properties","Inorganic Chemistry Frontiers","2016","3","3","406","","10.1039/C5QI00241A","","","0.71073","MoKα","","0.0509","0.0413","","","0.1132","0.1178","","","","","","1.084","","","","has coordinates","233564","2020-10-21","18:00:00",""
"4349068","45.925","0.002","6.5022","0.0003","21.3486","0.0015","90","","105.364","0.006","90","","6147.2","0.6","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C70 H50 N4 O16 Zn3 -","- C70 H50 N4 O16 Zn3 -","- C280 H200 N16 O64 Zn12 -","4","0.5","","Huang, Jing-Jing; Zhang, Xiao; Huo, Qi-Sheng; Yu, Jie-Hui; Xu, Ji-Qing","3,5-Bis((4′-carboxylbenzyl)oxy)benzoilate-based coordination polymers: their synthesis, structural characterization, and sensing properties","Inorganic Chemistry Frontiers","2016","3","3","406","","10.1039/C5QI00241A","","","0.71073","MoKα","","0.0693","0.0493","","","0.1544","0.1689","","","","","","1.052","","","","has coordinates","233564","2020-10-21","18:00:00",""
"4349069","15.338","0.003","22.1","0.004","16.425","0.003","90","","102.64","0.03","90","","5432.6","1.9","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C59 H58 Mn2 N2 O16 -","- C59 H56 Mn2 N2 O16 -","- C236 H224 Mn8 N8 O64 -","4","0.5","","Huang, Jing-Jing; Zhang, Xiao; Huo, Qi-Sheng; Yu, Jie-Hui; Xu, Ji-Qing","3,5-Bis((4′-carboxylbenzyl)oxy)benzoilate-based coordination polymers: their synthesis, structural characterization, and sensing properties","Inorganic Chemistry Frontiers","2016","3","3","406","","10.1039/C5QI00241A","","","0.71073","MoKα","","0.0846","0.056","","","0.1474","0.1674","","","","","","1.05","","","","has coordinates","233564","2020-10-21","18:00:00",""
"4349070","31.512","0.003","7.0593","0.0004","27.1251","0.0019","90","","106.23","0.004","90","","5793.6","0.8","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C29 H21 Cd2 N O9 -","- C29 H20 Cd2 N O9 -","- C232 H160 Cd16 N8 O72 -","8","1","","Huang, Jing-Jing; Zhang, Xiao; Huo, Qi-Sheng; Yu, Jie-Hui; Xu, Ji-Qing","3,5-Bis((4′-carboxylbenzyl)oxy)benzoilate-based coordination polymers: their synthesis, structural characterization, and sensing properties","Inorganic Chemistry Frontiers","2016","3","3","406","","10.1039/C5QI00241A","","","0.71073","MoKα","","0.045","0.0407","","","0.1303","0.1331","","","","","","1.179","","","","has coordinates","233564","2020-10-21","18:00:00",""
"4349071","8.9718","0.0009","9.6613","0.0009","11.592","0.0011","84.535","0.002","82.185","0.002","84.936","0.002","988.03","0.16","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","Pt2(tfepma)2br2","","- C18 H22 Br2 F24 N2 O8 P4 Pt2 -","- C18 H22 Br2 F24 N2 O8 P4 Pt2 -","- C18 H22 Br2 F24 N2 O8 P4 Pt2 -","1","0.5","","Powers, David C.; Hwang, Seung Jun; Anderson, Bryce L.; Yang, Haifeng; Zheng, Shao-Liang; Chen, Yu-Sheng; Cook, Timothy R.; Gabbaï, François P; Nocera, Daniel G.","Stereoelectronic Effects in Cl<sub>2</sub> Elimination from Binuclear Pt(III) Complexes.","Inorganic chemistry","2016","55","22","11815","11820","10.1021/acs.inorgchem.6b01887","","","0.71073","MoKα","","0.0413","0.0342","","","0.0908","0.0965","","","","","","1.052","","","","has coordinates,has disorder","233565","2020-10-21","18:00:00",""
"4349072","15.145","0.006","16.901","0.007","17.884","0.007","86.26","0.02","79.48","0.013","70.831","0.012","4251","3","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","Pt2(tfepma)2br4","","- C18 H22 Br4 F24 N2 O8 P4 Pt2 -","- C18 H22 Br4 F24 N2 O8 P4 Pt2 -","- C72 H88 Br16 F96 N8 O32 P16 Pt8 -","4","2","","Powers, David C.; Hwang, Seung Jun; Anderson, Bryce L.; Yang, Haifeng; Zheng, Shao-Liang; Chen, Yu-Sheng; Cook, Timothy R.; Gabbaï, François P; Nocera, Daniel G.","Stereoelectronic Effects in Cl<sub>2</sub> Elimination from Binuclear Pt(III) Complexes.","Inorganic chemistry","2016","55","22","11815","11820","10.1021/acs.inorgchem.6b01887","","","0.71073","MoKα","","0.0475","0.0352","","","0.0866","0.0938","","","","","","1.032","","","","has coordinates,has disorder","233565","2020-10-21","18:00:00",""
"4349073","19.0866","0.0005","20.1645","0.0004","32.8057","0.0007","77.642","0.002","74.776","0.002","69.343","0.002","11296.2","0.5","123","2","123","2","","","","","","","","5","P -1","-P 1","2","","","","- C68 H310 Cl13 Gd27 O247 -","- C68 H132 Cl8 Gd27 O167 -","- C136 H264 Cl16 Gd54 O334 -","2","1","","Zheng, Xiu-Ying; Peng, Jun-Bo; Kong, Xiang-Jian; Long, La-Sheng; Zheng, Lan-Sun","Mixed-anion templated cage-like lanthanide clusters: Gd27 and Dy27","Inorganic Chemistry Frontiers","2016","3","2","320","","10.1039/C5QI00249D","","","0.71073","MoKα","","0.1049","0.0647","","","0.1423","0.1585","","","","","","1.016","","","","has coordinates","233566","2020-10-21","18:00:00",""
"4349074","19.0141","0.0005","20.0313","0.0005","32.3892","0.0009","77.671","0.002","74.878","0.002","69.207","0.002","11033.1","0.5","123","2","123","2","","","","","","","","5","P -1","-P 1","2","","","","- C68 H310 Cl13 Dy27 O247 -","- C67 H127 Cl7 Dy27 O161 -","- C134 H254 Cl14 Dy54 O322 -","2","1","","Zheng, Xiu-Ying; Peng, Jun-Bo; Kong, Xiang-Jian; Long, La-Sheng; Zheng, Lan-Sun","Mixed-anion templated cage-like lanthanide clusters: Gd27 and Dy27","Inorganic Chemistry Frontiers","2016","3","2","320","","10.1039/C5QI00249D","","","0.71073","MoKα","","0.1333","0.0732","","","0.1658","0.1943","","","","","","0.954","","","","has coordinates","233566","2020-10-21","18:00:00",""
"4349075","25.193","0.005","15.091","0.003","19.402","0.004","90","","93.521","0.005","90","","7362","3","123","2","123","2","","","","","","","","7","C 1 2/m 1","-C 2y","12","Sc2O@C78/NiOEP/0.20(bz)0.30(CF)","","","- C115.5 H45.5 Cl0.9 N4 Ni O Sc2 -","- C116.96 H46.96 Cl1.824 N4 Ni O Sc1.996 -","- C467.84 H187.84 Cl7.296 N16 Ni4 O4 Sc7.984 -","4","0.5","","Hao, Yajuan; Tang, Qiangqiang; Li, Xiaohong; Zhang, Meirong; Wan, Yingbo; Feng, Lai; Chen, Ning; Slanina, Zdeněk; Adamowicz, Ludwik; Uhlík, Filip","Isomeric Sc<sub>2</sub>O@C<sub>78</sub> Related by a Single-Step Stone-Wales Transformation: Key Links in an Unprecedented Fullerene Formation Pathway.","Inorganic chemistry","2016","55","21","11354","11361","10.1021/acs.inorgchem.6b01894","","","0.71073","MoKα","","0.0772","0.073","","","0.2016","0.206","","","","","","0.955","","","","has coordinates,has disorder","233567","2020-10-21","18:00:00",""
"4349076","7.7512","0.0012","8.0176","0.0013","18.399","0.003","90","","96.125","0.002","90","","1136.9","0.3","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C11 H6 Gd N3 O6 -","- C11 H6 Gd N3 O6 -","- C44 H24 Gd4 N12 O24 -","4","1","","Zhao, Shu-Na; Wu, Lan-Lan; Feng, Jing; Song, Shu-Yan; Zhang, Hong-Jie","An ideal detector composed of a 3D Gd-based coordination polymer for DNA and Hg2+ ion","Inorganic Chemistry Frontiers","2016","3","3","376","","10.1039/C5QI00252D","","","0.71073","MoKα","","0.0356","0.0258","","","0.0489","0.0526","","","","","","1.035","","","","has coordinates","233568","2020-10-21","18:00:00",""
"4349077","25.2588","0.0008","14.9157","0.0005","19.5163","0.0006","90","","92.305","0.001","90","","7346.9","0.4","90","2","90","2","","","","","","","","7","C 1 2/m 1","-C 2y","12","Sc2O@C78/NiOEP/0.95(bz)0.05(CF)","","","- C119.75 H49.75 Cl0.25 N4 Ni O Sc2 -","- C119.792 H49.792 Cl0.26 N4 Ni O Sc1.994 -","- C479.168 H199.168 Cl1.04 N16 Ni4 O4 Sc7.976 -","4","0.5","","Hao, Yajuan; Tang, Qiangqiang; Li, Xiaohong; Zhang, Meirong; Wan, Yingbo; Feng, Lai; Chen, Ning; Slanina, Zdeněk; Adamowicz, Ludwik; Uhlík, Filip","Isomeric Sc<sub>2</sub>O@C<sub>78</sub> Related by a Single-Step Stone-Wales Transformation: Key Links in an Unprecedented Fullerene Formation Pathway.","Inorganic chemistry","2016","55","21","11354","11361","10.1021/acs.inorgchem.6b01894","","","0.71073","MoKα","","0.143","0.0905","","","0.1912","0.2173","","","","","","1.085","","","","has coordinates,has disorder","233569","2020-10-21","18:00:00",""
"4349078","13.1762","0.0005","13.3606","0.0005","28.333","0.0011","90","","90","","90","","4987.8","0.3","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","JA-MA-60","","","- C40 H80 F6 Ir2 N4 P5 -","- C40 H80 F6 Ir2 N4 P5 -","- C160 H320 F24 Ir8 N16 P20 -","4","1","","Abbenseth, Josh; Finger, Markus; Würtele, Christian; Kasanmascheff, Müge; Schneider, Sven","Coupling of terminal iridium nitrido complexes","Inorganic Chemistry Frontiers","2016","3","4","469","","10.1039/C5QI00267B","","","0.71073","MoKα","","0.0407","0.0291","","","0.0431","0.0454","","","","","","1.053","","","","has coordinates","233570","2020-10-21","18:00:00",""
"4349079","15.7367","0.0008","15.1562","0.0007","15.297","0.0008","90","","113.649","0.002","90","","3342.1","0.3","100","2","100","2","","","","","","","","8","P 1 2/c 1","-P 2yc","13","JA-MA-130","","","- C52 H104 F12 Ir2 N4 O3 P4 Sb2 -","- C52 H104 F12 Ir2 N4 O3 P4 Sb2 -","- C104 H208 F24 Ir4 N8 O6 P8 Sb4 -","2","0.5","","Abbenseth, Josh; Finger, Markus; Würtele, Christian; Kasanmascheff, Müge; Schneider, Sven","Coupling of terminal iridium nitrido complexes","Inorganic Chemistry Frontiers","2016","3","4","469","","10.1039/C5QI00267B","","","0.71073","MoKα","","0.0369","0.0266","","","0.0544","0.06","","","","","","1.229","","","","has coordinates,has disorder","233570","2020-10-21","18:00:00",""
"4349080","13.729","0.005","22.176","0.005","14.273","0.005","90","0.005","115.556","0.005","90","0.005","3920","2","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C33 H50 Br2 Cl N4 Ni2 O11 -","- C33 H50 Br2 Cl N4 Ni2 O11 -","- C132 H200 Br8 Cl4 N16 Ni8 O44 -","4","1","","Barman, Suman K.; Lloret, Francesc; Mukherjee, Rabindranath","A Bioinspired Dinickel(II) Hydrolase: Solvent Vapor-Induced Hydrolysis of Carboxyesters under Ambient Conditions.","Inorganic chemistry","2016","55","24","12696","12706","10.1021/acs.inorgchem.6b01895","","","0.71073","MoKα","","0.0478","0.0403","","","0.095","0.0996","","","","","","1.037","","","","has coordinates","233571","2020-10-21","18:00:00",""
"4349081","11.2988","0.0006","13.0277","0.0007","16.8757","0.0009","73.703","0.002","75.056","0.001","82.898","0.001","2300.1","0.2","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C78 H112 Br4 Cl2 N8 Ni5 O28 -","- C78 H112 Br4 Cl2 N8 Ni5 O28 -","- C78 H112 Br4 Cl2 N8 Ni5 O28 -","1","0.5","","Barman, Suman K.; Lloret, Francesc; Mukherjee, Rabindranath","A Bioinspired Dinickel(II) Hydrolase: Solvent Vapor-Induced Hydrolysis of Carboxyesters under Ambient Conditions.","Inorganic chemistry","2016","55","24","12696","12706","10.1021/acs.inorgchem.6b01895","","","0.71073","MoKα","","0.0692","0.0442","","","0.1024","0.1129","","","","","","1.033","","","","has coordinates","286259","2023-09-07","06:04:50",""
"4349082","13.285","0.005","13.525","0.005","14.356","0.005","65.18","0.005","68.413","0.005","78.514","0.005","2173.9","1.4","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C33 H47 Br2 Cl N4 Ni2 O11 -","- C33 H47 Br2 Cl N4 Ni2 O11 -","- C66 H94 Br4 Cl2 N8 Ni4 O22 -","2","1","","Barman, Suman K.; Lloret, Francesc; Mukherjee, Rabindranath","A Bioinspired Dinickel(II) Hydrolase: Solvent Vapor-Induced Hydrolysis of Carboxyesters under Ambient Conditions.","Inorganic chemistry","2016","55","24","12696","12706","10.1021/acs.inorgchem.6b01895","","","0.71073","MoKα","","0.0511","0.0392","","","0.1019","0.1066","","","","","","1.056","","","","has coordinates","233571","2020-10-21","18:00:00",""
"4349083","18.464","0.003","18.464","0.003","28.985","0.007","90","","90","","120","","8558","3","100","2","100","2","","","","","","","","7","P 32 2 1","P 32 2""","154","","","","- C35 H47 Br2 Cl0 N4 Ni2 O7 -","- C35 H47 Br2 N4 Ni2 O7 -","- C210 H282 Br12 N24 Ni12 O42 -","6","1","","Barman, Suman K.; Lloret, Francesc; Mukherjee, Rabindranath","A Bioinspired Dinickel(II) Hydrolase: Solvent Vapor-Induced Hydrolysis of Carboxyesters under Ambient Conditions.","Inorganic chemistry","2016","55","24","12696","12706","10.1021/acs.inorgchem.6b01895","","","0.71073","MoKα","","0.1371","0.0849","","","0.2079","0.235","","","","","","0.871","","","","has coordinates","233571","2020-10-21","18:00:00",""
"4349084","11.691","0.005","16.065","0.005","21.41","0.005","90","0.005","90.752","0.005","90","0.005","4021","2","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C34 H49 Br2 Cl N4 Ni2 O11 -","- C34 H49 Br2 Cl N4 Ni2 O11 -","- C136 H196 Br8 Cl4 N16 Ni8 O44 -","4","1","","Barman, Suman K.; Lloret, Francesc; Mukherjee, Rabindranath","A Bioinspired Dinickel(II) Hydrolase: Solvent Vapor-Induced Hydrolysis of Carboxyesters under Ambient Conditions.","Inorganic chemistry","2016","55","24","12696","12706","10.1021/acs.inorgchem.6b01895","","","0.71073","MoKα","","0.1602","0.0577","","","0.1202","0.1522","","","","","","0.975","","","","has coordinates","233571","2020-10-21","18:00:00",""
"4349085","38.5873","0.0013","38.5873","0.0013","38.5873","0.0013","90","","90","","90","","57456","3","100.01","","100.01","","","","","","","","","6","I m -3 m","-I 4 2 3","229","","PCN224Co","","- C24 H12 Co0.5 N2 O10.67 Zr2 -","- C24 H12 Co0.5 N2 O10.6667 Zr2 -","- C576 H288 Co12 N48 O256 Zr48 -","24","0.25","","Gallagher, Audrey T.; Kelty, Margaret L.; Park, Jesse G.; Anderson, John S.; Mason, Jarad A.; Walsh, James P. S.; Collins, Shenell L.; Harris, T. David","Dioxygen binding at a four-coordinate cobaltous porphyrin site in a metal‒organic framework: structural, EPR, and O2 adsorption analysis","Inorganic Chemistry Frontiers","2016","3","4","536","","10.1039/C5QI00275C","","","1.54178","CuKα","","0.0974","0.0861","","","0.2598","0.2743","","","","","","1.117","","","","has coordinates","233572","2020-10-21","18:00:00",""
"4349086","38.6198","0.001","38.6198","0.001","38.6198","0.001","90","","90","","90","","57601","3","85","2","84.83","","","","","","","","","6","I m -3 m","-I 4 2 3","229","","PCN224CoO2","","- C144 H72 Co3 N12 O70 Zr12 -","- C144 H72 Co3 N12 O70 Zr12 -","- C576 H288 Co12 N48 O280 Zr48 -","4","0.0416667","","Gallagher, Audrey T.; Kelty, Margaret L.; Park, Jesse G.; Anderson, John S.; Mason, Jarad A.; Walsh, James P. S.; Collins, Shenell L.; Harris, T. David","Dioxygen binding at a four-coordinate cobaltous porphyrin site in a metal‒organic framework: structural, EPR, and O2 adsorption analysis","Inorganic Chemistry Frontiers","2016","3","4","536","","10.1039/C5QI00275C","","","1.54178","CuKα","","0.1102","0.0988","","","0.2976","0.3131","","","","","","1.329","","","","has coordinates,has disorder","233572","2020-10-21","18:00:00",""
"4349087","16.1016","0.0004","16.1016","0.0004","29.1535","0.001","90","","90","","120","","6545.7","0.3","180","","180","","","","","","","","","6","R -3 :H","-R 3","148","","","","- C36 H34 Eu N9 Na3 O15.5 -","- C36 H9 Eu N9 Na3 O15.51 -","- C216 H54 Eu6 N54 Na18 O93.06 -","6","0.333333","","Wei, Chen; Wei, Huibo; Yan, Weibo; Zhao, Zifeng; Cai, Zelun; Sun, Boxun; Meng, Zhaosha; Liu, Zhiwei; Bian, Zuqiang; Huang, Chunhui","Water-Soluble and Highly Luminescent Europium(III) Complexes with Favorable Photostability and Sensitive pH Response Behavior.","Inorganic chemistry","2016","55","20","10645","10653","10.1021/acs.inorgchem.6b01897","","","0.71073","MoKα","","0.0543","0.0459","","","0.1218","0.1287","","","","","","1.077","","","","has coordinates","233573","2020-10-21","18:00:00",""
"4349088","10.365","0.001","10.365","0.001","32.289","0.005","90","","90","","120","","3004.2","0.6","240","2","240","2","","","","","","","","6","P 63","P 6c","173","","","","- C48 H42 B2 F8 Fe N24 -","- C48 H42 B2 F8 Fe N24 -","- C96 H84 B4 F16 Fe2 N48 -","2","0.333333","","Calvo Galve, Néstor; Giménez-Marqués, Mónica; Palomino, Miguel; Valencia, Susana; Rey, Fernando; Mínguez Espallargas, Guillermo; Coronado, Eugenio","Isostructural compartmentalized spin-crossover coordination polymers for gas confinement","Inorganic Chemistry Frontiers","2016","3","6","808","","10.1039/C5QI00277J","","","0.71073","MoKα","","0.4058","0.2271","","","0.4663","0.5406","","","","","","1.232","","","","has coordinates,has disorder","233574","2020-10-21","18:00:00",""
"4349089","10.2235","0.0014","10.2235","0.0014","31.903","0.008","90","","90","","120","","2887.8","0.9","120","2","120","2","","","","","","","","6","P 63","P 6c","173","","","","- C48 H42 B2 F8 Fe N24 -","- C48 H42 B2 F8 Fe N24 -","- C96 H84 B4 F16 Fe2 N48 -","2","0.333333","","Calvo Galve, Néstor; Giménez-Marqués, Mónica; Palomino, Miguel; Valencia, Susana; Rey, Fernando; Mínguez Espallargas, Guillermo; Coronado, Eugenio","Isostructural compartmentalized spin-crossover coordination polymers for gas confinement","Inorganic Chemistry Frontiers","2016","3","6","808","","10.1039/C5QI00277J","","","0.71073","MoKα","","0.3945","0.2132","","","0.4274","0.5247","","","","","","1.147","","","","has coordinates,has disorder","233574","2020-10-21","18:00:00",""
"4349090","12.7243","0.0014","13.294","0.0015","28.598","0.003","90","","90","","90","","4837.5","0.9","296","2","296.15","","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C15 H12 Dy N O11 -","- C15 H12 Dy N O11 -","- C120 H96 Dy8 N8 O88 -","8","1","","Gao, Rui-Cheng; Guo, Fu-Sheng; Bai, Nan-Nan; Wu, Yun-Long; Yang, Fan; Liang, Ji-Ye; Li, Zhen-Jing; Wang, Yao-Yu","Two 3D Isostructural Ln(III)-MOFs: Displaying the Slow Magnetic Relaxation and Luminescence Properties in Detection of Nitrobenzene and Cr<sub>2</sub>O<sub>7</sub><sup>2</sup>.","Inorganic chemistry","2016","55","21","11323","11330","10.1021/acs.inorgchem.6b01899","","","0.71073","MoKα","","0.0644","0.0616","","","0.1491","0.15","","","","","","1.178","","","","has coordinates","233575","2020-10-21","18:00:00",""
"4349091","12.78","0.002","13.358","0.003","28.668","0.005","90","","90","","90","","4894.1","1.6","296","2","296.15","","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C15 H12 Eu N O11 -","- C15 H12 Eu N O11 -","- C120 H96 Eu8 N8 O88 -","8","1","","Gao, Rui-Cheng; Guo, Fu-Sheng; Bai, Nan-Nan; Wu, Yun-Long; Yang, Fan; Liang, Ji-Ye; Li, Zhen-Jing; Wang, Yao-Yu","Two 3D Isostructural Ln(III)-MOFs: Displaying the Slow Magnetic Relaxation and Luminescence Properties in Detection of Nitrobenzene and Cr<sub>2</sub>O<sub>7</sub><sup>2</sup>.","Inorganic chemistry","2016","55","21","11323","11330","10.1021/acs.inorgchem.6b01899","","","0.71073","MoKα","","0.065","0.0537","","","0.1385","0.142","","","","","","1.095","","","","has coordinates","233575","2020-10-21","18:00:00",""
"4349092","17.742","0.008","18.183","0.008","20.695","0.009","90.191","0.008","95.03","0.009","113.761","0.008","6081","5","153","2","153","2","","","","","","","","6","P -1","-P 1","2","","","","- C114 H119 N25 Ni8 O26 S4 -","- C108 H97 N17 Ni8 O26 S4 -","- C216 H194 N34 Ni16 O52 S8 -","2","1","","Schmitz, Sebastian; van Leusen, Jan; Ellern, Arkady; Kögerler, Paul; Monakhov, Kirill Yu.","Thioether-terminated nickel(ii) coordination clusters with {Ni6} horseshoe- and {Ni8} rollercoaster-shaped cores","Inorganic Chemistry Frontiers","2016","3","4","523","","10.1039/C5QI00278H","","","0.71073","MoKα","","0.1993","0.119","","","0.2939","0.357","","","","","","0.97","","","","has coordinates","233576","2020-10-21","18:00:00",""
"4349093","13.394","0.002","18.546","0.003","20.152","0.003","108.266","0.002","104.85","0.002","105.348","0.002","4257.9","1.1","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C44 H44 Cl2 N4 Ni O8 -","- C44 H44 Cl2 N4 Ni O8 -","- C176 H176 Cl8 N16 Ni4 O32 -","4","2","","Schmitz, Sebastian; van Leusen, Jan; Ellern, Arkady; Kögerler, Paul; Monakhov, Kirill Yu.","Thioether-terminated nickel(ii) coordination clusters with {Ni6} horseshoe- and {Ni8} rollercoaster-shaped cores","Inorganic Chemistry Frontiers","2016","3","4","523","","10.1039/C5QI00278H","","","0.71073","MoKα","","0.0829","0.0635","","","0.1698","0.1924","","","","","","0.745","","","","has coordinates","233576","2020-10-21","18:00:00",""
"4349094","13.6631","0.0008","55.396","0.003","17.4219","0.001","90","","101.75","0.002","90","","12910","1.3","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C44 H44 N6 Ni O14 -","- C44 H44 N6 Ni O14 -","- C528 H528 N72 Ni12 O168 -","12","3","","Schmitz, Sebastian; van Leusen, Jan; Ellern, Arkady; Kögerler, Paul; Monakhov, Kirill Yu.","Thioether-terminated nickel(ii) coordination clusters with {Ni6} horseshoe- and {Ni8} rollercoaster-shaped cores","Inorganic Chemistry Frontiers","2016","3","4","523","","10.1039/C5QI00278H","","","0.71073","MoKα","","0.1399","0.117","","","0.2855","0.302","","","","","","1.025","","","","has coordinates","233576","2020-10-21","18:00:00",""
"4349095","12.7711","0.0017","21.197","0.003","15.366","0.002","90","","97.636","0.002","90","","4122.8","1","153","2","153","2","","","","","","","","7","P 1 2/c 1","-P 2yc","13","","","","- C80 H93 Cl N6 Ni6 O22 S3 -","- C80 H93 Cl N6 Ni6 O22 S3 -","- C160 H186 Cl2 N12 Ni12 O44 S6 -","2","0.5","","Schmitz, Sebastian; van Leusen, Jan; Ellern, Arkady; Kögerler, Paul; Monakhov, Kirill Yu.","Thioether-terminated nickel(ii) coordination clusters with {Ni6} horseshoe- and {Ni8} rollercoaster-shaped cores","Inorganic Chemistry Frontiers","2016","3","4","523","","10.1039/C5QI00278H","","","0.71073","MoKα","","0.0578","0.0381","","","0.0844","0.0944","","","","","","1.012","","","","has coordinates","233576","2020-10-21","18:00:00",""
"4349096","11.227","0.004","14.518","0.004","35.949","0.009","88.46","0.02","85.33","0.02","86.8","0.02","5829","3","80","2","80","2","","","","","","","","6","P -1","-P 1","2","","","","- C133 H128 Al2 Ba O12 Si4 -","- C133 H128 Al2 Ba O12 Si4 -","- C266 H256 Al4 Ba2 O24 Si8 -","2","1","","Drąg-Jarząbek, Anna; Petrus, Rafał; Sobota, Piotr","Synthesis of Aluminosilicates Containing a Ba(Sr)-O-Al-O-Si Arrangement of Natural Feldspar Mineral.","Inorganic chemistry","2016","55","19","9524","9527","10.1021/acs.inorgchem.6b01900","","","0.71073","MoKα","","0.0943","0.0595","","","0.1111","0.125","","","","","","1.016","","","","has coordinates,has disorder","233577","2020-10-21","18:00:00",""
"4349097","14.358","0.003","19.094","0.004","24.064","0.005","107.66","0.02","99.64","0.03","100.12","0.02","6015","3","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C131.5 H137 Al2 Ba Cl O15 Si4 -","- C131.5 H137 Al2 Ba Cl O15 Si4 -","- C263 H274 Al4 Ba2 Cl2 O30 Si8 -","2","1","","Drąg-Jarząbek, Anna; Petrus, Rafał; Sobota, Piotr","Synthesis of Aluminosilicates Containing a Ba(Sr)-O-Al-O-Si Arrangement of Natural Feldspar Mineral.","Inorganic chemistry","2016","55","19","9524","9527","10.1021/acs.inorgchem.6b01900","","","0.71073","MoKα","","0.0918","0.0609","","","0.1463","0.1604","","","","","","0.947","","","","has coordinates,has disorder","233577","2020-10-21","18:00:00",""
"4349098","21.742","0.002","26.897","0.002","21.048","0.002","90","","118.7","0.02","90","","10797","3","90","2","90","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C120 H120 Al2 O14 Si4 Sr -","- C120 H120 Al2 O14 Si4 Sr -","- C480 H480 Al8 O56 Si16 Sr4 -","4","0.5","","Drąg-Jarząbek, Anna; Petrus, Rafał; Sobota, Piotr","Synthesis of Aluminosilicates Containing a Ba(Sr)-O-Al-O-Si Arrangement of Natural Feldspar Mineral.","Inorganic chemistry","2016","55","19","9524","9527","10.1021/acs.inorgchem.6b01900","","","0.71073","MoKα","","0.1608","0.0785","","","0.1184","0.1485","","","","","","1.031","","","","has coordinates,has disorder","233577","2020-10-21","18:00:00",""
"4349099","14.415","0.003","19.832","0.005","19.862","0.006","104.31","0.02","110.02","0.02","95.77","0.02","5061","2","90","2","90","2","","","","","","","","6","P -1","-P 1","2","","","","- C88 H152 Al2 Ba O24 Si4 -","- C88 H152 Al2 Ba O24 Si4 -","- C176 H304 Al4 Ba2 O48 Si8 -","2","1","","Drąg-Jarząbek, Anna; Petrus, Rafał; Sobota, Piotr","Synthesis of Aluminosilicates Containing a Ba(Sr)-O-Al-O-Si Arrangement of Natural Feldspar Mineral.","Inorganic chemistry","2016","55","19","9524","9527","10.1021/acs.inorgchem.6b01900","","","0.71073","MoKα","","0.1114","0.0628","","","0.0983","0.115","","","","","","1.01","","","","has coordinates,has disorder","233577","2020-10-21","18:00:00",""
"4349100","11.8732","0.0014","12.7552","0.0015","16.3941","0.0018","76.579","0.005","83.331","0.005","82.122","0.005","2383","0.5","123","","123","","","","","","","","","7","P -1","-P 1","2","","","","- C43 H52 F12 Fe N8 O P2 -","- C43 H52 F12 Fe N8 O P2 -","- C86 H104 F24 Fe2 N16 O2 P4 -","2","1","","Haas, Ruth M.; Arshad, Muhammad; Anthony, James; Altmann, Philipp J.; Pöthig, Alexander; Köhler, Frank H.; Hess, Corinna R.","Six- and seven-coordinate Fe(ii) and Zn(ii) compounds ligated by unsymmetric xanthene-based ligands: characterization and magnetic properties","Inorganic Chemistry Frontiers","2016","3","5","616","","10.1039/C5QI00298B","","x-ray","0.71073","MoKα","","0.0372","0.034","","","0.0874","0.09","","","","","","1.042","","","","has coordinates,has disorder","233579","2020-10-21","18:00:00",""
"4349101","17.6546","0.0017","14.2997","0.0014","18.8804","0.0019","90","","92.641","0.005","90","","4761.4","0.8","100","","100","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C43 H48 F12 Fe N6 O P2 -","- C43 H48 F12 Fe N6 O P2 -","- C172 H192 F48 Fe4 N24 O4 P8 -","4","1","","Haas, Ruth M.; Arshad, Muhammad; Anthony, James; Altmann, Philipp J.; Pöthig, Alexander; Köhler, Frank H.; Hess, Corinna R.","Six- and seven-coordinate Fe(ii) and Zn(ii) compounds ligated by unsymmetric xanthene-based ligands: characterization and magnetic properties","Inorganic Chemistry Frontiers","2016","3","5","616","","10.1039/C5QI00298B","","x-ray","0.71073","MoKα","","0.0446","0.0387","","","0.105","0.1105","","","","","","1.024","","","","has coordinates,has disorder","233579","2020-10-21","18:00:00",""
"4349102","10.361","0.003","15.945","0.004","25.761","0.006","90","","93.772","0.014","90","","4246.7","1.9","100","","100","","","","","","","","see text","8","P 1 21/c 1","-P 2ybc","14","","","","- C38 H42 Cl2 F6 N4 O7 S2 Zn -","- C38 H42 Cl2 F6 N4 O7 S2 Zn -","- C152 H168 Cl8 F24 N16 O28 S8 Zn4 -","4","1","","Haas, Ruth M.; Arshad, Muhammad; Anthony, James; Altmann, Philipp J.; Pöthig, Alexander; Köhler, Frank H.; Hess, Corinna R.","Six- and seven-coordinate Fe(ii) and Zn(ii) compounds ligated by unsymmetric xanthene-based ligands: characterization and magnetic properties","Inorganic Chemistry Frontiers","2016","3","5","616","","10.1039/C5QI00298B","","x-ray","0.71073","MoKα","","0.0444","0.0339","","","0.0736","0.0789","","","","","","1.019","","","","has coordinates,has disorder","233579","2020-10-21","18:00:00",""
"4349103","18.0907","0.0015","14.366","0.0012","18.9329","0.0015","90","","91.824","0.004","90","","4918","0.7","100","","100","","","","","","","","see text","7","P 1 21/n 1","-P 2yn","14","","","","- C43 H45 F6 N5 O7 S2 Zn -","- C43 H45 F6 N5 O7 S2 Zn -","- C172 H180 F24 N20 O28 S8 Zn4 -","4","1","","Haas, Ruth M.; Arshad, Muhammad; Anthony, James; Altmann, Philipp J.; Pöthig, Alexander; Köhler, Frank H.; Hess, Corinna R.","Six- and seven-coordinate Fe(ii) and Zn(ii) compounds ligated by unsymmetric xanthene-based ligands: characterization and magnetic properties","Inorganic Chemistry Frontiers","2016","3","5","616","","10.1039/C5QI00298B","","x-ray","0.71073","MoKα","","0.0508","0.0409","","","0.0972","0.1059","","","","","","1.056","","","","has coordinates,has disorder","233579","2020-10-21","18:00:00",""
"4349104","7.2842","0.0002","6.9449","0.0002","14.4255","0.0005","90","","90","","90","","729.76","0.04","200","1","200","1","","","","","","","","6","P m n a","-P 2ac 2","53","","","","- C12 H6 F2 Fe N8 Ni -","- C12 H6 F2 Fe N8 Ni -","- C24 H12 F4 Fe2 N16 Ni2 -","2","0.25","","Valverde-Muñoz, Francisco Javier; Seredyuk, Maksym; Muñoz, M Carmen; Znovjyak, Kateryna; Fritsky, Igor O.; Real, José Antonio","Strong Cooperative Spin Crossover in 2D and 3D Fe<sup>II</sup>-M<sup>I,II</sup> Hofmann-Like Coordination Polymers Based on 2-Fluoropyrazine.","Inorganic chemistry","2016","55","20","10654","10665","10.1021/acs.inorgchem.6b01901","","","0.71073","MoKα","","0.0551","0.0482","","","0.1022","0.1069","","","","","","0.97","","","","has coordinates","233580","2020-10-21","18:00:00",""
"4349105","7.2572","0.0003","6.9861","0.0003","14.9922","0.0006","90","","90","","90","","760.1","0.05","120","1","120","1","","","","","","","","6","P m n a","-P 2ac 2","53","","","","- C12 H6 F2 Fe N8 Pt -","- C12 H6 F2 Fe N8 Pt -","- C24 H12 F4 Fe2 N16 Pt2 -","2","0.25","","Valverde-Muñoz, Francisco Javier; Seredyuk, Maksym; Muñoz, M Carmen; Znovjyak, Kateryna; Fritsky, Igor O.; Real, José Antonio","Strong Cooperative Spin Crossover in 2D and 3D Fe<sup>II</sup>-M<sup>I,II</sup> Hofmann-Like Coordination Polymers Based on 2-Fluoropyrazine.","Inorganic chemistry","2016","55","20","10654","10665","10.1021/acs.inorgchem.6b01901","","","0.71073","MoKα","","0.0318","0.02","","","0.0449","0.0509","","","","","","0.951","","","","has coordinates","233581","2020-10-21","18:00:00",""
"4349106","13.063","0.001","14.8712","0.0011","18.7622","0.0014","90","","90","","90","","3644.8","0.5","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C36 H44 B Dy N2 O12 -","- C36 H44 B Dy N2 O12 -","- C144 H176 B4 Dy4 N8 O48 -","4","1","","Ding, You-Song; Han, Tian; Hu, Yue-Qiao; Xu, Minwei; Yang, Sen; Zheng, Yan-Zhen","Syntheses, structures and magnetic properties of a series of mono- and di-nuclear dysprosium(iii)-crown-ether complexes: effects of a weak ligand-field and flexible cyclic coordination modes","Inorganic Chemistry Frontiers","2016","3","6","798","","10.1039/C5QI00308C","","","0.71073","MoKα","","0.0365","0.0316","","","0.0695","0.0713","","","","","","1.024","","","","has coordinates","233582","2020-10-21","18:00:00",""
"4349107","24.3304","0.0018","10.8059","0.0008","8.3756","0.0006","90","","90","","90","","2202","0.3","150","2","150","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C12 H24 Cl Dy N2 O16 -","- C12 H24 Cl Dy N2 O16 -","- C48 H96 Cl4 Dy4 N8 O64 -","4","0.5","","Ding, You-Song; Han, Tian; Hu, Yue-Qiao; Xu, Minwei; Yang, Sen; Zheng, Yan-Zhen","Syntheses, structures and magnetic properties of a series of mono- and di-nuclear dysprosium(iii)-crown-ether complexes: effects of a weak ligand-field and flexible cyclic coordination modes","Inorganic Chemistry Frontiers","2016","3","6","798","","10.1039/C5QI00308C","","","0.71073","MoKα","","0.0356","0.0333","","","0.076","0.0771","","","","","","1.12","","","","has coordinates","233582","2020-10-21","18:00:00",""
"4349108","12.0689","0.0017","8.5236","0.0013","15.178","0.002","90","","91.235","0.007","90","","1561","0.4","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C8 H16 Dy N3 O13 -","- C8 H16 Dy N3 O13 -","- C32 H64 Dy4 N12 O52 -","4","1","","Ding, You-Song; Han, Tian; Hu, Yue-Qiao; Xu, Minwei; Yang, Sen; Zheng, Yan-Zhen","Syntheses, structures and magnetic properties of a series of mono- and di-nuclear dysprosium(iii)-crown-ether complexes: effects of a weak ligand-field and flexible cyclic coordination modes","Inorganic Chemistry Frontiers","2016","3","6","798","","10.1039/C5QI00308C","","","0.71073","MoKα","","0.1267","0.1256","","","0.3125","0.3131","","","","","","1.172","","","","has coordinates","233582","2020-10-21","18:00:00",""
"4349109","10.5373","0.0007","10.5373","0.0007","26.5599","0.0018","90","","90","","90","","2949.1","0.3","150","2","150","2","","","","","","","","6","P 43 21 2","P 4nw 2abw","96","","","","- C18 H35 Cl3 Dy N O20 -","- C18 H35 Cl3 Dy N O20 -","- C72 H140 Cl12 Dy4 N4 O80 -","4","0.5","","Ding, You-Song; Han, Tian; Hu, Yue-Qiao; Xu, Minwei; Yang, Sen; Zheng, Yan-Zhen","Syntheses, structures and magnetic properties of a series of mono- and di-nuclear dysprosium(iii)-crown-ether complexes: effects of a weak ligand-field and flexible cyclic coordination modes","Inorganic Chemistry Frontiers","2016","3","6","798","","10.1039/C5QI00308C","","","0.71073","MoKα","","0.0827","0.0747","","","0.1877","0.1932","","","","","","1.125","","","","has coordinates","233582","2020-10-21","18:00:00",""
"4349110","8.6312","0.0008","19.9383","0.0018","11.2062","0.001","90","","111.576","0.001","90","","1793.4","0.3","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H42 Cl4 Dy2 O30 -","- C16 H42 Cl4 Dy2 O30 -","- C32 H84 Cl8 Dy4 O60 -","2","0.5","","Ding, You-Song; Han, Tian; Hu, Yue-Qiao; Xu, Minwei; Yang, Sen; Zheng, Yan-Zhen","Syntheses, structures and magnetic properties of a series of mono- and di-nuclear dysprosium(iii)-crown-ether complexes: effects of a weak ligand-field and flexible cyclic coordination modes","Inorganic Chemistry Frontiers","2016","3","6","798","","10.1039/C5QI00308C","","","0.71073","MoKα","","0.029","0.0268","","","0.0607","0.0616","","","","","","1.077","","","","has coordinates","233582","2020-10-21","18:00:00",""
"4349111","19.7259","0.0006","17.2456","0.0006","29.085","0.0009","90","","107.194","0.001","90","","9452.1","0.5","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C20 H39 Cl3 Dy N O21 -","- C20 H39 Cl3 Dy N O21 -","- C240 H468 Cl36 Dy12 N12 O252 -","12","3","","Ding, You-Song; Han, Tian; Hu, Yue-Qiao; Xu, Minwei; Yang, Sen; Zheng, Yan-Zhen","Syntheses, structures and magnetic properties of a series of mono- and di-nuclear dysprosium(iii)-crown-ether complexes: effects of a weak ligand-field and flexible cyclic coordination modes","Inorganic Chemistry Frontiers","2016","3","6","798","","10.1039/C5QI00308C","","","0.71073","MoKα","","0.0385","0.0303","","","0.069","0.0731","","","","","","1.021","","","","has coordinates","251896","2020-10-21","18:00:00",""
"4349112","7.2563","0.0003","10.1992","0.0005","17.8959","0.0007","90","","90","","90","","1324.45","0.1","250","1","250","1","","","","","","","","6","C m c e","-C 2ac 2","64","","","","- C8 H3 Au2 F Fe N6 -","- C8 Au2 F Fe N6 -","- C32 Au8 F4 Fe4 N24 -","4","0.25","","Valverde-Muñoz, Francisco Javier; Seredyuk, Maksym; Muñoz, M Carmen; Znovjyak, Kateryna; Fritsky, Igor O.; Real, José Antonio","Strong Cooperative Spin Crossover in 2D and 3D Fe<sup>II</sup>-M<sup>I,II</sup> Hofmann-Like Coordination Polymers Based on 2-Fluoropyrazine.","Inorganic chemistry","2016","55","20","10654","10665","10.1021/acs.inorgchem.6b01901","","","0.71073","MoKα","","0.0439","0.0301","","","0.0689","0.079","","","","","","1.005","","","","has coordinates","233583","2020-10-21","18:00:00",""
"4349113","7.4534","0.0004","7.1275","0.0004","15.0455","0.001","90","","90","","90","","799.28","0.08","200","1","200","1","","","","","","","","6","P m n a","-P 2ac 2","53","","","","- C12 H6 F2 Fe N8 Pt -","- C12 H6 F2 Fe N8 Pt -","- C24 H12 F4 Fe2 N16 Pt2 -","2","0.25","","Valverde-Muñoz, Francisco Javier; Seredyuk, Maksym; Muñoz, M Carmen; Znovjyak, Kateryna; Fritsky, Igor O.; Real, José Antonio","Strong Cooperative Spin Crossover in 2D and 3D Fe<sup>II</sup>-M<sup>I,II</sup> Hofmann-Like Coordination Polymers Based on 2-Fluoropyrazine.","Inorganic chemistry","2016","55","20","10654","10665","10.1021/acs.inorgchem.6b01901","","","0.71073","MoKα","","0.0319","0.0242","","","0.0459","0.0493","","","","","","1.088","","","","has coordinates","233585","2020-10-21","18:00:00",""
"4349114","7.4526","0.0005","7.1125","0.0004","14.777","0.0011","90","","90","","90","","783.28","0.09","200","1","200","1","","","","","","","","6","P m n a","-P 2ac 2","53","","","","- C12 H6 F2 Fe N8 Pd -","- C12 H6 F2 Fe N8 Pd -","- C24 H12 F4 Fe2 N16 Pd2 -","2","0.25","","Valverde-Muñoz, Francisco Javier; Seredyuk, Maksym; Muñoz, M Carmen; Znovjyak, Kateryna; Fritsky, Igor O.; Real, José Antonio","Strong Cooperative Spin Crossover in 2D and 3D Fe<sup>II</sup>-M<sup>I,II</sup> Hofmann-Like Coordination Polymers Based on 2-Fluoropyrazine.","Inorganic chemistry","2016","55","20","10654","10665","10.1021/acs.inorgchem.6b01901","","","0.71073","MoKα","","0.0496","0.0349","","","0.0533","0.0578","","","","","","1.178","","","","has coordinates","233587","2020-10-21","18:00:00",""
"4349115","7.2782","0.0003","7.5613","0.0002","7.482","0.0004","90","","101.494","0.005","90","","403.5","0.03","120","1","120","1","","","","","","","","7","P 1 2/m 1","-P 2y","10","","","","- C8 H3 F Fe N6 O0.5 Pt -","- C8 H2 F Fe N6 O0.5 Pt -","- C8 H2 F Fe N6 O0.5 Pt -","1","0.25","","Valverde-Muñoz, Francisco Javier; Seredyuk, Maksym; Muñoz, M Carmen; Znovjyak, Kateryna; Fritsky, Igor O.; Real, José Antonio","Strong Cooperative Spin Crossover in 2D and 3D Fe<sup>II</sup>-M<sup>I,II</sup> Hofmann-Like Coordination Polymers Based on 2-Fluoropyrazine.","Inorganic chemistry","2016","55","20","10654","10665","10.1021/acs.inorgchem.6b01901","","","0.71069","MoKα","","0.0421","0.0406","","","0.098","0.0993","","","","","","0.985","","","","has coordinates","233588","2020-10-21","18:00:00",""
"4349116","7.1107","0.001","10.1715","0.0013","17.657","0.002","90","","90","","90","","1277.1","0.3","120","1","120","1","","","","","","","","6","C m c e","-C 2ac 2","64","","","","- C8 H3 Au2 F Fe N6 -","- C8 Au2 F Fe N6 -","- C32 Au8 F4 Fe4 N24 -","4","0.25","","Valverde-Muñoz, Francisco Javier; Seredyuk, Maksym; Muñoz, M Carmen; Znovjyak, Kateryna; Fritsky, Igor O.; Real, José Antonio","Strong Cooperative Spin Crossover in 2D and 3D Fe<sup>II</sup>-M<sup>I,II</sup> Hofmann-Like Coordination Polymers Based on 2-Fluoropyrazine.","Inorganic chemistry","2016","55","20","10654","10665","10.1021/acs.inorgchem.6b01901","","","0.71073","MoKα","","0.0825","0.0516","","","0.0908","0.1097","","","","","","0.885","","","","has coordinates","233590","2020-10-21","18:00:00",""
"4349117","7.2646","0.0002","6.9726","0.0003","14.7703","0.0005","90","","90","","90","","748.16","0.05","98.5","0.3","98.5","0.3","","","","","","","","6","P m n a","-P 2ac 2","53","","","","- C12 H6 F2 Fe N8 Pd -","- C12 H6 F2 Fe N8 Pd -","- C24 H12 F4 Fe2 N16 Pd2 -","2","0.25","","Valverde-Muñoz, Francisco Javier; Seredyuk, Maksym; Muñoz, M Carmen; Znovjyak, Kateryna; Fritsky, Igor O.; Real, José Antonio","Strong Cooperative Spin Crossover in 2D and 3D Fe<sup>II</sup>-M<sup>I,II</sup> Hofmann-Like Coordination Polymers Based on 2-Fluoropyrazine.","Inorganic chemistry","2016","55","20","10654","10665","10.1021/acs.inorgchem.6b01901","","","0.71073","MoKα","","0.0564","0.0346","","","0.0591","0.0683","","","","","","0.975","","","","has coordinates","233592","2020-10-21","18:00:00",""
"4349118","10.6906","0.0005","21.0234","0.0014","19.7359","0.0012","90","","101.948","0.006","90","","4339.6","0.5","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C24 H22 Bi2 Cl10 N10 O6 -","- C24 H22 Bi2 Cl10 N10 O6 -","- C96 H88 Bi8 Cl40 N40 O24 -","4","1","","Li, Guoping; Hao, Pengfei; Shen, Junju; Yu, Tanlai; Li, Huihui; Fu, Yunlong","Bipyridyltriazolium Chlorobismuthate with Thermo-/Photochromic and Photoluminescent Switching Behaviors Based on ET and CT<sup>†</sup>.","Inorganic chemistry","2016","55","21","11342","11347","10.1021/acs.inorgchem.6b01906","","","0.71073","MoKα","","0.064","0.0383","","","0.0667","0.0752","","","","","","1.049","","","","has coordinates","233595","2020-10-21","18:00:00",""
"4349119","27.0011","0.0005","31.0554","0.0006","23.9147","0.0005","90","","112.705","0.001","90","","18499.2","0.6","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C127 H204 Cu29 N60 O37 S -","- C127 H183 Cu29 N60 O37 S -","- C508 H732 Cu116 N240 O148 S4 -","4","0.5","","Ahmed, Basil M.; Hartman, Christian K.; Mezei, Gellert","Sulfate-Incarcerating Nanojars: Solution and Solid-State Studies, Sulfate Extraction from Water, and Anion Exchange with Carbonate.","Inorganic chemistry","2016","55","20","10666","10679","10.1021/acs.inorgchem.6b01909","","","0.71073","MoKα","","0.0815","0.0449","","","0.1099","0.1311","","","","","","1.028","","","","has coordinates,has disorder","233597","2020-10-21","18:00:00",""
"4349120","7.2636","0.0001","21.4895","0.0003","16.7111","0.0003","90","","91.779","0.001","90","","2607.2","0.07","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C16 H40 Br2 Cr2 N2 O6 -","- C16 H40 Br2 Cr2 N2 O6 -","- C64 H160 Br8 Cr8 N8 O24 -","4","1","","Sun, Yu-Zhi; Huang, Bo; Xu, Wei-Jian; Zhou, Dong-Dong; Chen, Shao-Li; Zhang, Shi-Yong; Du, Zi-Yi; Xie, Yong-Rong; He, Chun-Ting; Zhang, Wei-Xiong; Chen, Xiao-Ming","Plastic Crystals with Polar Halochromate Anion: Thermosensitive Dielectrics Based upon Plastic Transition and Dipole Rotation.","Inorganic chemistry","2016","55","21","11418","11425","10.1021/acs.inorgchem.6b01911","","","0.71073","MoKα","","0.1201","0.0457","","","0.0804","0.1004","","","","","","0.95","","","","has coordinates,has disorder","233599","2020-10-21","18:00:00",""
"4349121","11.9438","0.0005","7.9537","0.0004","14.4822","0.0006","90","","114.148","0.001","90","","1255.38","0.1","296","2","296","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C8 H20 Cl Cr N O3 -","- C8 H20 Cl Cr N O3 -","- C32 H80 Cl4 Cr4 N4 O12 -","4","1","","Sun, Yu-Zhi; Huang, Bo; Xu, Wei-Jian; Zhou, Dong-Dong; Chen, Shao-Li; Zhang, Shi-Yong; Du, Zi-Yi; Xie, Yong-Rong; He, Chun-Ting; Zhang, Wei-Xiong; Chen, Xiao-Ming","Plastic Crystals with Polar Halochromate Anion: Thermosensitive Dielectrics Based upon Plastic Transition and Dipole Rotation.","Inorganic chemistry","2016","55","21","11418","11425","10.1021/acs.inorgchem.6b01911","","","0.71073","MoKα","","0.0337","0.0322","","","0.0928","0.0949","","","","","","1.003","","","","has coordinates","233601","2020-10-21","18:00:00",""
"4349123","14.299","0.002","16.325","0.002","9.5574","0.0007","90","","100.729","0.01","90","","2192","0.4","150","2","150","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C7.93 H8.93 N1.25 O3.09 Zn0.5 -","- C6.76 H2.34 N O2.84 Zn0.5 -","- C54.08 H18.72 N8 O22.72 Zn4 -","8","1","","Gee, William J.; Cadman, Laura K.; Amer Hamzah, Harina; Mahon, Mary F.; Raithby, Paul R.; Burrows, Andrew D.","Furnishing Amine-Functionalized Metal-Organic Frameworks with the β-Amidoketone Group by Postsynthetic Modification.","Inorganic chemistry","2016","55","21","10839","10842","10.1021/acs.inorgchem.6b01917","","x-ray","0.71073","MoKα","","0.0836","0.0734","","","0.2111","0.2206","","","","","","1.09","","","","has coordinates,has disorder","233605","2020-10-21","18:00:00",""
"4349124","13.9532","0.0006","16.6496","0.0005","9.5586","0.0003","90","","100.526","0.003","90","","2183.24","0.14","150","2","150","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C7.13 H7.88 N O2.69 Zn0.5 -","- C6.16 H1.25 N0.75 O2.44 Zn0.5 -","- C49.28 H10 N6 O19.52 Zn4 -","8","1","","Gee, William J.; Cadman, Laura K.; Amer Hamzah, Harina; Mahon, Mary F.; Raithby, Paul R.; Burrows, Andrew D.","Furnishing Amine-Functionalized Metal-Organic Frameworks with the β-Amidoketone Group by Postsynthetic Modification.","Inorganic chemistry","2016","55","21","10839","10842","10.1021/acs.inorgchem.6b01917","","x-ray","1.54184","CuKα","","0.092","0.089","","","0.2401","0.2445","","","","","","1.089","","","","has coordinates,has disorder","233605","2020-10-21","18:00:00",""
"4349125","28.0724","0.0002","14.00074","0.00009","44.7159","0.0003","90","","90","","90","","17574.9","0.2","150.01","0.1","150.01","0.1","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C56 H60 Cl12 I6 N13 O9 Zn3 -","- C56 H35 I6 N13 O Zn3 -","- C448 H280 I48 N104 O8 Zn24 -","8","1","","Gee, William J.; Cadman, Laura K.; Amer Hamzah, Harina; Mahon, Mary F.; Raithby, Paul R.; Burrows, Andrew D.","Furnishing Amine-Functionalized Metal-Organic Frameworks with the β-Amidoketone Group by Postsynthetic Modification.","Inorganic chemistry","2016","55","21","10839","10842","10.1021/acs.inorgchem.6b01917","","x-ray","1.54184","CuKα","","0.0743","0.0595","","","0.1739","0.1889","","","","","","1.041","","","","has coordinates,has disorder","233605","2020-10-21","18:00:00",""
"4349126","9.6565","0.0005","10.4953","0.0006","15.7123","0.0009","90.569","0.004","102.965","0.004","101.38","0.004","1518.85","0.15","100","0.1","100","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C31 H39 Mo2 O2 P S2 -","- C31 H39 Mo2 O2 P S2 -","- C62 H78 Mo4 O4 P2 S4 -","2","1","","Albuerne, Isabel G.; Alvarez, M. Angeles; Amor, Inmaculada; García, M Esther; García-Vivó, Daniel; Ruiz, Miguel A.","Cycloaddition Reactions of the Phosphinidene-Bridged Complex [Mo<sub>2</sub>Cp(μ-κ<sup>1</sup>:κ<sup>1</sup>,η<sup>5</sup>-PC<sub>5</sub>H<sub>4</sub>)(CO)<sub>2</sub>(η<sup>6</sup>-HMes*)] with Diazoalkanes and Other Heterocumulenes.","Inorganic chemistry","2016","55","20","10680","10691","10.1021/acs.inorgchem.6b01930","","x-ray","0.71073","MoKα","","0.0378","0.0275","","","0.0551","0.0599","","","","","","1.041","","","","has coordinates","233609","2020-10-21","18:00:00",""
"4349127","10.5874","0.0006","11.1625","0.0007","15.7439","0.0009","95.834","0.005","106.289","0.005","95.765","0.005","1760.43","0.19","153","1","153","1","","","","","","","","7","P -1","-P 1","2","","","","- C37 H44 Mo2 N O2 P S -","- C37 H44 Mo2 N O2 P S -","- C74 H88 Mo4 N2 O4 P2 S2 -","2","1","","Albuerne, Isabel G.; Alvarez, M. Angeles; Amor, Inmaculada; García, M Esther; García-Vivó, Daniel; Ruiz, Miguel A.","Cycloaddition Reactions of the Phosphinidene-Bridged Complex [Mo<sub>2</sub>Cp(μ-κ<sup>1</sup>:κ<sup>1</sup>,η<sup>5</sup>-PC<sub>5</sub>H<sub>4</sub>)(CO)<sub>2</sub>(η<sup>6</sup>-HMes*)] with Diazoalkanes and Other Heterocumulenes.","Inorganic chemistry","2016","55","20","10680","10691","10.1021/acs.inorgchem.6b01930","","x-ray","1.54184","CuKα","","0.0379","0.0345","","","0.0893","0.093","","","","","","1.015","","","","has coordinates","233609","2020-10-21","18:00:00",""
"4349128","23.854","0.002","23.854","0.002","10.4011","0.0018","90","","90","","90","","5918.4","1.2","120","0.1","120","2","","","","","","","","5","I -4","I -4","82","","","","- C31 H41 Mo2 O2 P -","- C31 H41 Mo2 O2 P -","- C248 H328 Mo16 O16 P8 -","8","1","","Albuerne, Isabel G.; Alvarez, M. Angeles; Amor, Inmaculada; García, M Esther; García-Vivó, Daniel; Ruiz, Miguel A.","Cycloaddition Reactions of the Phosphinidene-Bridged Complex [Mo<sub>2</sub>Cp(μ-κ<sup>1</sup>:κ<sup>1</sup>,η<sup>5</sup>-PC<sub>5</sub>H<sub>4</sub>)(CO)<sub>2</sub>(η<sup>6</sup>-HMes*)] with Diazoalkanes and Other Heterocumulenes.","Inorganic chemistry","2016","55","20","10680","10691","10.1021/acs.inorgchem.6b01930","","x-ray","0.71073","MoKα","","0.083","0.0506","","","0.0866","0.0964","","","","","","1.032","","","","has coordinates","233609","2020-10-21","18:00:00",""
"4349129","9.5101","0.0005","12.8133","0.0007","17.9238","0.0007","103.176","0.004","91.152","0.004","109.283","0.005","1996.48","0.19","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C93 H106 Mo4 O4 P2 -","- C93 H106 Mo4 O4 P2 -","- C93 H106 Mo4 O4 P2 -","1","0.5","","Albuerne, Isabel G.; Alvarez, M. Angeles; Amor, Inmaculada; García, M Esther; García-Vivó, Daniel; Ruiz, Miguel A.","Cycloaddition Reactions of the Phosphinidene-Bridged Complex [Mo<sub>2</sub>Cp(μ-κ<sup>1</sup>:κ<sup>1</sup>,η<sup>5</sup>-PC<sub>5</sub>H<sub>4</sub>)(CO)<sub>2</sub>(η<sup>6</sup>-HMes*)] with Diazoalkanes and Other Heterocumulenes.","Inorganic chemistry","2016","55","20","10680","10691","10.1021/acs.inorgchem.6b01930","","x-ray","1.54184","CuKα","","0.0747","0.0529","","","0.1473","0.1579","","","","","","1.052","","","","has coordinates,has disorder","233609","2020-10-21","18:00:00",""
"4349130","13.759","0.0004","15.7112","0.0004","16.5846","0.0005","101.548","0.002","105.06","0.002","102.362","0.002","3254.96","0.17","100","0.1","100","0.1","","","","","","","","8","P -1","-P 1","2","","","","- C77 H71 B Fe N7 O3 P S -","- C77 H71 B Fe N7 O3 P S -","- C154 H142 B2 Fe2 N14 O6 P2 S2 -","2","1","","Fischer, Anne A.; Stracey, Nuru; Lindeman, Sergey V.; Brunold, Thomas C.; Fiedler, Adam T.","Synthesis, X-ray Structures, Electronic Properties, and O<sub>2</sub>/NO Reactivities of Thiol Dioxygenase Active-Site Models.","Inorganic chemistry","2016","55","22","11839","11853","10.1021/acs.inorgchem.6b01931","","x-ray","1.54184","CuKα","","0.0444","0.0409","","","0.0983","0.1005","","","","","","1.102","","","","has coordinates,has disorder","233612","2020-10-21","18:00:00",""
"4349131","19.2143","0.0003","21.0046","0.0002","17.0445","0.0002","90","","108.097","0.0014","90","","6538.69","0.15","100","0.1","100","0.1","","","","","","","","9","P 1 21/c 1","-P 2ybc","14","","","","- C76 H71 B Cl Fe N7 O P S -","- C76 H71 B Cl Fe N7 O P S -","- C304 H284 B4 Cl4 Fe4 N28 O4 P4 S4 -","4","1","","Fischer, Anne A.; Stracey, Nuru; Lindeman, Sergey V.; Brunold, Thomas C.; Fiedler, Adam T.","Synthesis, X-ray Structures, Electronic Properties, and O<sub>2</sub>/NO Reactivities of Thiol Dioxygenase Active-Site Models.","Inorganic chemistry","2016","55","22","11839","11853","10.1021/acs.inorgchem.6b01931","","x-ray","1.54184","CuKα","","0.0494","0.0381","","","0.093","0.1003","","","","","","1.026","","","","has coordinates","233612","2020-10-21","18:00:00",""
"4349132","15.5372","0.0004","23.9405","0.0005","17.2239","0.0012","90","","104.136","0.007","90","","6212.7","0.5","120","0.2","123.15","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C69 H68 B Fe N10 O6 Zr -","- C69 H68 B Fe N10 O6 Zr -","- C276 H272 B4 Fe4 N40 O24 Zr4 -","4","1","","Dudkin, Semyon V.; Erickson, Nathan R.; Vologzhanina, Anna V.; Novikov, Valentin V.; Rhoda, Hannah M.; Holstrom, Cole D.; Zatsikha, Yuriy V.; Yusubov, Mekhman S.; Voloshin, Yan Z.; Nemykin, Victor N.","Preparation, X-ray Structures, Spectroscopic, and Redox Properties of Di- and Trinuclear Iron-Zirconium and Iron-Hafnium Porphyrinoclathrochelates.","Inorganic chemistry","2016","55","22","11867","11882","10.1021/acs.inorgchem.6b01936","","x-ray","0.71075","MoKα","","0.1306","0.0666","","","0.1284","0.1595","","","","","","1.013","","","","has coordinates","233614","2020-10-21","18:00:00",""
"4349133","15.0421","0.0002","20.6793","0.0002","21.0501","0.0003","65.278","0.001","80.868","0.001","73.523","0.001","5697.43","0.13","296","2","296.15","","","","","","","","","6","P -1","-P 1","2","","","","- C115.75 H100 Fe N14 O6 Zr2 -","- C115.75 H100 Fe N14 O6 Zr2 -","- C231.5 H200 Fe2 N28 O12 Zr4 -","2","1","","Dudkin, Semyon V.; Erickson, Nathan R.; Vologzhanina, Anna V.; Novikov, Valentin V.; Rhoda, Hannah M.; Holstrom, Cole D.; Zatsikha, Yuriy V.; Yusubov, Mekhman S.; Voloshin, Yan Z.; Nemykin, Victor N.","Preparation, X-ray Structures, Spectroscopic, and Redox Properties of Di- and Trinuclear Iron-Zirconium and Iron-Hafnium Porphyrinoclathrochelates.","Inorganic chemistry","2016","55","22","11867","11882","10.1021/acs.inorgchem.6b01936","","","1.54178","CuKα","","0.1128","0.0953","","","0.2558","0.287","","","","","","1.094","","","","has coordinates,has disorder","233614","2020-10-21","18:00:00",""
"4349134","22.6505","0.0004","17.5395","0.0004","39.0049","0.0006","90","","139.903","0.001","90","","9980.6","0.4","120","","120","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C108.67 H86 Fe Hf2 N14 O6 -","- C108.666 H85.9994 Fe Hf2 N14 O6 -","- C434.666 H343.998 Fe4 Hf8 N56 O24 -","4","1","","Dudkin, Semyon V.; Erickson, Nathan R.; Vologzhanina, Anna V.; Novikov, Valentin V.; Rhoda, Hannah M.; Holstrom, Cole D.; Zatsikha, Yuriy V.; Yusubov, Mekhman S.; Voloshin, Yan Z.; Nemykin, Victor N.","Preparation, X-ray Structures, Spectroscopic, and Redox Properties of Di- and Trinuclear Iron-Zirconium and Iron-Hafnium Porphyrinoclathrochelates.","Inorganic chemistry","2016","55","22","11867","11882","10.1021/acs.inorgchem.6b01936","","","1.54178","CuKα","","0.078","0.0564","","","0.1493","0.168","","","","","","1.018","","","","has coordinates,has disorder","233614","2020-10-21","18:00:00",""
"4349135","9.2716","0.0002","9.7733","0.0002","20.5433","0.0003","90","","100.015","0.002","90","","1833.15","0.06","100","0.1","100","0.1","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C25 H18 N2 -","- C25 H18 N2 -","- C100 H72 N8 -","4","1","","Huff, Gregory S.; Lo, Warrick K. C.; Horvath, Raphael; Turner, Jack O.; Sun, Xue-Zhong; Weal, Geoffrey R.; Davidson, Hannah J.; Kennedy, Aaron D. W.; McAdam, C. John; Crowley, James D.; George, Michael W.; Gordon, Keith C.","Excited States of Triphenylamine-Substituted 2-Pyridyl-1,2,3-triazole Complexes.","Inorganic chemistry","2016","55","23","12238","12253","10.1021/acs.inorgchem.6b01959","","","1.54184","CuKα","","0.0469","0.0431","","","0.1191","0.1234","","","","","","0.968","","","","has coordinates","233617","2020-10-21","18:00:00",""
"4349136","18.6832","0.0003","5.3622","0.0001","26.7016","0.0005","90","","90","","90","","2675.05","0.08","100","0.1","100","0.1","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C32 H26 K N5 O -","- C32 H26 K N5 O -","- C128 H104 K4 N20 O4 -","4","1","","Huff, Gregory S.; Lo, Warrick K. C.; Horvath, Raphael; Turner, Jack O.; Sun, Xue-Zhong; Weal, Geoffrey R.; Davidson, Hannah J.; Kennedy, Aaron D. W.; McAdam, C. John; Crowley, James D.; George, Michael W.; Gordon, Keith C.","Excited States of Triphenylamine-Substituted 2-Pyridyl-1,2,3-triazole Complexes.","Inorganic chemistry","2016","55","23","12238","12253","10.1021/acs.inorgchem.6b01959","","","1.54184","CuKα","","0.0469","0.0445","","","0.1281","0.1337","","","","","","1.036","","","","has coordinates","233617","2020-10-21","18:00:00",""
"4349137","12.5021","0.0004","13.9357","0.0005","28.7104","0.0012","89.997","0.003","89.931","0.003","87.238","0.003","4996.3","0.3","100","0.2","100","0.2","","","","","","","","6","P -1","-P 1","2","","","","- C52 H41 F12 N9 P2 Ru -","- C52 H41 F12 N9 P2 Ru -","- C208 H164 F48 N36 P8 Ru4 -","4","2","","Huff, Gregory S.; Lo, Warrick K. C.; Horvath, Raphael; Turner, Jack O.; Sun, Xue-Zhong; Weal, Geoffrey R.; Davidson, Hannah J.; Kennedy, Aaron D. W.; McAdam, C. John; Crowley, James D.; George, Michael W.; Gordon, Keith C.","Excited States of Triphenylamine-Substituted 2-Pyridyl-1,2,3-triazole Complexes.","Inorganic chemistry","2016","55","23","12238","12253","10.1021/acs.inorgchem.6b01959","","","1.54184","CuKα","","0.1572","0.1088","","","0.2445","0.2653","","","","","","1.054","","","","has coordinates","233617","2020-10-21","18:00:00",""
"4349138","15.4671","0.0003","13.1261","0.0002","15.3956","0.0003","90","","104.962","0.002","90","","3019.69","0.1","100","0.1","100","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C35 H25 Br N5 O3 Re -","- C35 H25 Br N5 O3 Re -","- C140 H100 Br4 N20 O12 Re4 -","4","1","","Huff, Gregory S.; Lo, Warrick K. C.; Horvath, Raphael; Turner, Jack O.; Sun, Xue-Zhong; Weal, Geoffrey R.; Davidson, Hannah J.; Kennedy, Aaron D. W.; McAdam, C. John; Crowley, James D.; George, Michael W.; Gordon, Keith C.","Excited States of Triphenylamine-Substituted 2-Pyridyl-1,2,3-triazole Complexes.","Inorganic chemistry","2016","55","23","12238","12253","10.1021/acs.inorgchem.6b01959","","","1.54184","CuKα","","0.0325","0.029","","","0.0625","0.0636","","","","","","1.241","","","","has coordinates,has disorder","233617","2020-10-21","18:00:00",""
"4349139","14.9463","0.0005","37.5453","0.0013","13.5608","0.0004","90","","91.439","0.003","90","","7607.4","0.4","100","0.2","100","0.2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C48 H35 N5 Pt -","- C48 H35 N5 Pt -","- C384 H280 N40 Pt8 -","8","2","","Huff, Gregory S.; Lo, Warrick K. C.; Horvath, Raphael; Turner, Jack O.; Sun, Xue-Zhong; Weal, Geoffrey R.; Davidson, Hannah J.; Kennedy, Aaron D. W.; McAdam, C. John; Crowley, James D.; George, Michael W.; Gordon, Keith C.","Excited States of Triphenylamine-Substituted 2-Pyridyl-1,2,3-triazole Complexes.","Inorganic chemistry","2016","55","23","12238","12253","10.1021/acs.inorgchem.6b01959","","","1.54184","CuKα","","0.1425","0.0894","","","0.2114","0.2371","","","","","","1.081","","","","has coordinates","233617","2020-10-21","18:00:00",""
"4349140","7.4108","0.0004","8.9317","0.0005","23.7139","0.0014","87.722","0.005","81.445","0.005","89.483","0.005","1550.95","0.15","100","0.2","100","0.2","","","","","","","","5","P -1","-P 1","2","","","","- C13 H18 Cl2 N4 Pt -","- C13 H18 Cl2 N4 Pt -","- C52 H72 Cl8 N16 Pt4 -","4","2","","Huff, Gregory S.; Lo, Warrick K. C.; Horvath, Raphael; Turner, Jack O.; Sun, Xue-Zhong; Weal, Geoffrey R.; Davidson, Hannah J.; Kennedy, Aaron D. W.; McAdam, C. John; Crowley, James D.; George, Michael W.; Gordon, Keith C.","Excited States of Triphenylamine-Substituted 2-Pyridyl-1,2,3-triazole Complexes.","Inorganic chemistry","2016","55","23","12238","12253","10.1021/acs.inorgchem.6b01959","","","1.54184","CuKα","","0.1621","0.133","","","0.3802","0.3989","","","","","","1.082","","","","has coordinates","233617","2020-10-21","18:00:00",""
"4349141","20.5182","0.0004","28.0492","0.0007","10.3766","0.0002","90","","90","","90","","5971.9","0.2","153","","153","","","","","","","","","6","P 21 21 2","P 2 2ab","18","","","","- C57 H60 Cl2 N10 O15 Zn2 -","- C57 H60 Cl2 N10 O15 Zn2 -","- C228 H240 Cl8 N40 O60 Zn8 -","4","1","","Mikata, Yuji; Ohnishi, Risa; Nishijima, Risa; Konno, Hideo","Fluorescent Detection of Phosphate Ion via a Tetranuclear Zinc Complex Supported by a Tetrakisquinoline Ligand and μ<sub>4</sub>-PO<sub>4</sub> Core.","Inorganic chemistry","2016","55","21","11440","11446","10.1021/acs.inorgchem.6b01967","","","0.7107","MoKα","","","0.0497","","","","0.1268","","","","","","1.077","","","","has coordinates","233620","2020-10-21","18:00:00",""
"4349142","40.815","0.01","16.493","0.004","33.646","0.009","90","","108.862","0.004","90","","21433","9","153","","153","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C103 H115 Cl3 N12 O31.5 P Zn4 -","- C103 H90 Cl3 N12 O31.5 P Zn4 -","- C824 H720 Cl24 N96 O252 P8 Zn32 -","8","1","","Mikata, Yuji; Ohnishi, Risa; Nishijima, Risa; Konno, Hideo","Fluorescent Detection of Phosphate Ion via a Tetranuclear Zinc Complex Supported by a Tetrakisquinoline Ligand and μ<sub>4</sub>-PO<sub>4</sub> Core.","Inorganic chemistry","2016","55","21","11440","11446","10.1021/acs.inorgchem.6b01967","","","0.71075","MoKα","","0.1021","0.0789","","","0.2002","0.2238","","","","","","1.072","","","","has coordinates","233620","2020-10-21","18:00:00",""
"4349143","53.1394","0.0005","16.5632","0.0002","26.0779","0.0003","90","","107.095","0.001","90","","21938.6","0.4","133","2","133","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C92 H128 K4 O8 P4 -","- C92 H128 K4 O8 P4 -","- C736 H1024 K32 O64 P32 -","8","1","","Härling, Stephan M; Görls, Helmar; Krieck, Sven; Westerhausen, Matthias","Potassium-Mediated Hydrophosphorylation of Heterocumulenes with Diarylphosphane Oxide and Sulfide.","Inorganic chemistry","2016","55","20","10741","10750","10.1021/acs.inorgchem.6b01973","","","0.71073","MoKα","","0.0856","0.0587","","","0.1361","0.1466","","","","","","1.053","","","","has coordinates,has disorder","233623","2020-10-21","18:00:00",""
"4349144","13.4619","0.0003","14.7468","0.0002","23.7374","0.0005","99.288","0.001","92.115","0.001","110.066","0.001","4346.57","0.15","133","2","133","2","","","","","","","","5","P -1","-P 1","2","","","","- C88 H120 K4 O8 P4 -","- C88 H120 K4 O8 P4 -","- C176 H240 K8 O16 P8 -","2","1","","Härling, Stephan M; Görls, Helmar; Krieck, Sven; Westerhausen, Matthias","Potassium-Mediated Hydrophosphorylation of Heterocumulenes with Diarylphosphane Oxide and Sulfide.","Inorganic chemistry","2016","55","20","10741","10750","10.1021/acs.inorgchem.6b01973","","","0.71073","MoKα","","0.0798","0.0579","","","0.1114","0.1232","","","","","","1.038","","","","has coordinates,has disorder","233623","2020-10-21","18:00:00",""
"4349145","17.3948","0.0003","16.304","0.0004","6.1603","0.0001","90","","90","","90","","1747.09","0.06","133","2","133","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C17 H20 K O P S -","- C17 H20 K O P S -","- C68 H80 K4 O4 P4 S4 -","4","1","","Härling, Stephan M; Görls, Helmar; Krieck, Sven; Westerhausen, Matthias","Potassium-Mediated Hydrophosphorylation of Heterocumulenes with Diarylphosphane Oxide and Sulfide.","Inorganic chemistry","2016","55","20","10741","10750","10.1021/acs.inorgchem.6b01973","","","0.71073","MoKα","","0.0271","0.0258","","","0.0546","0.0553","","","","","","1.064","","","","has coordinates","233623","2020-10-21","18:00:00",""
"4349146","12.504","0.0003","13.0411","0.0004","14.452","0.0004","95.199","0.001","92.364","0.001","117.618","0.001","2070.24","0.1","133","2","133","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H30 N O2 P -","- C22 H30 N O2 P -","- C88 H120 N4 O8 P4 -","4","2","","Härling, Stephan M; Görls, Helmar; Krieck, Sven; Westerhausen, Matthias","Potassium-Mediated Hydrophosphorylation of Heterocumulenes with Diarylphosphane Oxide and Sulfide.","Inorganic chemistry","2016","55","20","10741","10750","10.1021/acs.inorgchem.6b01973","","","0.71073","MoKα","","0.088","0.0632","","","0.162","0.1785","","","","","","1.023","","","","has coordinates","233623","2020-10-21","18:00:00",""
"4349147","8.6631","0.0002","9.192","0.0003","11.6161","0.0003","88.086","0.002","79.252","0.002","63.059","0.001","808.77","0.04","133","2","133","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H18 N P S2 -","- C16 H18 N P S2 -","- C32 H36 N2 P2 S4 -","2","1","","Härling, Stephan M; Görls, Helmar; Krieck, Sven; Westerhausen, Matthias","Potassium-Mediated Hydrophosphorylation of Heterocumulenes with Diarylphosphane Oxide and Sulfide.","Inorganic chemistry","2016","55","20","10741","10750","10.1021/acs.inorgchem.6b01973","","","0.71073","MoKα","","0.035","0.0319","","","0.0748","0.0772","","","","","","1.054","","","","has coordinates","233623","2020-10-21","18:00:00",""
"4349148","6.0187","0.0002","32.1086","0.001","11.2953","0.0004","90","","97.205","0.001","90","","2165.6","0.13","133","2","133","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C12 H11 P S -","- C12 H11 P S -","- C96 H88 P8 S8 -","8","2","","Härling, Stephan M; Görls, Helmar; Krieck, Sven; Westerhausen, Matthias","Potassium-Mediated Hydrophosphorylation of Heterocumulenes with Diarylphosphane Oxide and Sulfide.","Inorganic chemistry","2016","55","20","10741","10750","10.1021/acs.inorgchem.6b01973","","","0.71073","MoKα","","0.0442","0.0377","","","0.0858","0.0892","","","","","","1.161","","","","has coordinates","233623","2020-10-21","18:00:00",""
"4349149","18.1471","0.0008","17.7577","0.0008","9.7232","0.0004","90","","95.814","0.001","90","","3117.2","0.2","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C31 H48 Cr O3 Sn -","- C31 H48 Cr O3 Sn -","- C124 H192 Cr4 O12 Sn4 -","4","1","","Cai, Xiaochen; Majumdar, Subhojit; Fortman, George C.; Koppaka, Anjaneyulu; Serafim, Leonardo; Captain, Burjor; Temprado, Manuel; Hoff, Carl D.","Thermodynamic, Kinetic, Structural, and Computational Studies of the Ph<sub>3</sub>Sn-H, Ph<sub>3</sub>Sn-SnPh<sub>3</sub>, and Ph<sub>3</sub>Sn-Cr(CO)<sub>3</sub>C<sub>5</sub>Me<sub>5</sub> Bond Dissociation Enthalpies.","Inorganic chemistry","2016","55","20","10751","10766","10.1021/acs.inorgchem.6b01978","","","0.71073","MoKα","","0.0684","0.0454","","","0.1177","0.1339","","","","","","1.062","","","","has coordinates","233626","2020-10-21","18:00:00",""
"4349150","36.9426","0.0019","8.7211","0.0005","37.1627","0.0019","90","","109.098","0.001","90","","11314.1","1","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C31 H30 Cr O3 Sn -","- C31 H30 Cr O3 Sn -","- C496 H480 Cr16 O48 Sn16 -","16","2","","Cai, Xiaochen; Majumdar, Subhojit; Fortman, George C.; Koppaka, Anjaneyulu; Serafim, Leonardo; Captain, Burjor; Temprado, Manuel; Hoff, Carl D.","Thermodynamic, Kinetic, Structural, and Computational Studies of the Ph<sub>3</sub>Sn-H, Ph<sub>3</sub>Sn-SnPh<sub>3</sub>, and Ph<sub>3</sub>Sn-Cr(CO)<sub>3</sub>C<sub>5</sub>Me<sub>5</sub> Bond Dissociation Enthalpies.","Inorganic chemistry","2016","55","20","10751","10766","10.1021/acs.inorgchem.6b01978","","","0.71073","MoKα","","0.0486","0.0332","","","0.0693","0.075","","","","","","1.035","","","","has coordinates","233626","2020-10-21","18:00:00",""
"4349151","9.15","0.01","10.184","0.012","13.487","0.015","90","","96.96","0.13","90","","1248","2","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","disilver_dodekafluorido_closo_dodekaborate","disilver_dodekafluorido_closo_dodekaborate_with_sulfurdioxide","","- C0 Ag B6 F6 O6 S3 -","- Ag B6 F6 O6 S3 -","- Ag4 B24 F24 O24 S12 -","4","1","","Malischewski, Moritz; Peryshkov, Dmitry V.; Bukovsky, Eric V.; Seppelt, Konrad; Strauss, Steven H.","Structures of M<sub>2</sub>(SO<sub>2</sub>)<sub>6</sub>B<sub>12</sub>F<sub>12</sub> (M = Ag or K) and Ag<sub>2</sub>(H<sub>2</sub>O)<sub>4</sub>B<sub>12</sub>F<sub>12</sub>: Comparison of the Coordination of SO<sub>2</sub> versus H<sub>2</sub>O and of B<sub>12</sub>F<sub>12</sub><sup>2-</sup> versus Other Weakly Coordinating Anions to Metal Ions in the Solid State.","Inorganic chemistry","2016","55","23","12254","12262","10.1021/acs.inorgchem.6b01980","","","0.71073","MoKα","","0.0447","0.0413","","","0.13","0.1326","","","","","","1.165","","","","has coordinates","233628","2020-10-21","18:00:00",""
"4349152","9.377","0.003","10.327","0.003","13.725","0.004","90","","97.339","0.005","90","","1318.2","0.7","143","2","143","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","dikalium_dodekafluorido_closo_dodekaborate","dikalium_dodekafluorido_closo_dodekaborate_sulfurdioxide_solvate","","- C0 H0 B12 F12 K2 O12 S6 -","- B12 F12 K2 O12 S6 -","- B24 F24 K4 O24 S12 -","2","0.5","","Malischewski, Moritz; Peryshkov, Dmitry V.; Bukovsky, Eric V.; Seppelt, Konrad; Strauss, Steven H.","Structures of M<sub>2</sub>(SO<sub>2</sub>)<sub>6</sub>B<sub>12</sub>F<sub>12</sub> (M = Ag or K) and Ag<sub>2</sub>(H<sub>2</sub>O)<sub>4</sub>B<sub>12</sub>F<sub>12</sub>: Comparison of the Coordination of SO<sub>2</sub> versus H<sub>2</sub>O and of B<sub>12</sub>F<sub>12</sub><sup>2-</sup> versus Other Weakly Coordinating Anions to Metal Ions in the Solid State.","Inorganic chemistry","2016","55","23","12254","12262","10.1021/acs.inorgchem.6b01980","","","0.71073","MoKα","","0.0371","0.0285","","","0.0707","0.0766","","","","","","1.036","","","","has coordinates","233630","2020-10-21","18:00:00",""
"4349153","10.4428","0.0007","10.9458","0.0005","14.0126","0.0007","90","","93.089","0.001","90","","1599.38","0.15","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- Ag2 B12 F12 H8 O4 -","- Ag2 B12 F12 H8 O4 -","- Ag8 B48 F48 H32 O16 -","4","1","","Malischewski, Moritz; Peryshkov, Dmitry V.; Bukovsky, Eric V.; Seppelt, Konrad; Strauss, Steven H.","Structures of M<sub>2</sub>(SO<sub>2</sub>)<sub>6</sub>B<sub>12</sub>F<sub>12</sub> (M = Ag or K) and Ag<sub>2</sub>(H<sub>2</sub>O)<sub>4</sub>B<sub>12</sub>F<sub>12</sub>: Comparison of the Coordination of SO<sub>2</sub> versus H<sub>2</sub>O and of B<sub>12</sub>F<sub>12</sub><sup>2-</sup> versus Other Weakly Coordinating Anions to Metal Ions in the Solid State.","Inorganic chemistry","2016","55","23","12254","12262","10.1021/acs.inorgchem.6b01980","","","0.71073","MoKα","","0.0786","0.0443","","","0.1114","0.1411","","","","","","0.783","","","","has coordinates","233632","2020-10-21","18:00:00",""
"4349154","17.106","0.002","14.2223","0.0018","17.709","0.002","90","","102.067","0.004","90","","4213.2","0.9","173","2","173","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C44.62 H30.62 Br0.62 Cl5.24 N5 O2 P -","- C44.619 H30.619 Br0.619 Cl5.238 N5 O2 P -","- C178.476 H122.476 Br2.476 Cl20.952 N20 O8 P4 -","4","1","","Meshkov, Ivan N.; Bulach, Véronique; Gorbunova, Yulia G.; Kyritsakas, Nathalie; Grigoriev, Mikhail S.; Tsivadze, Aslan Yu; Hosseini, Mir Wais","Phosphorus(V) Porphyrin-Based Molecular Turnstiles.","Inorganic chemistry","2016","55","20","10774","10782","10.1021/acs.inorgchem.6b01989","","","0.71073","MoKα","","0.1711","0.0812","","","0.2182","0.2457","","","","","","1.012","","","","has coordinates,has disorder","233634","2020-10-21","18:00:00",""
"4349155","11.272","0.0006","11.8839","0.0008","18.7479","0.0011","76.446","0.004","80.822","0.004","78.554","0.004","2376","0.3","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C56 H38 Br0.5 Cl3.5 N5 O4 P -","- C56 H38 Br0.496 Cl3.504 N5 O4 P -","- C112 H76 Br0.992 Cl7.008 N10 O8 P2 -","2","1","","Meshkov, Ivan N.; Bulach, Véronique; Gorbunova, Yulia G.; Kyritsakas, Nathalie; Grigoriev, Mikhail S.; Tsivadze, Aslan Yu; Hosseini, Mir Wais","Phosphorus(V) Porphyrin-Based Molecular Turnstiles.","Inorganic chemistry","2016","55","20","10774","10782","10.1021/acs.inorgchem.6b01989","","","0.71073","MoKα","","0.1557","0.0765","","","0.1791","0.217","","","","","","1.021","","","","has coordinates,has disorder","233635","2020-10-21","18:00:00",""
"4349156","10.6905","0.0012","18.494","0.002","13.2939","0.0015","90","","112.329","0.002","90","","2431.3","0.5","100","0.5","100","0.5","","","","","","","","8","P 1 21/n 1","-P 2yn","14","jonyj31","Tp'Rh(PMe3)(OH)Br","","- C18.79 H33.37 B Br1.21 N6 O0.79 P Rh -","- C18.7894 H33.3682 B Br1.2106 N6 O0.7894 P Rh -","- C75.1576 H133.473 B4 Br4.8424 N24 O3.1576 P4 Rh4 -","4","1","","Yuwen, Jing; Jiao, Yunzhe; Brennessel, William W.; Jones, William D.","Determination of Rhodium-Alkoxide Bond Strengths in Tp'Rh(PMe3)(OR)H.","Inorganic chemistry","2016","55","18","9482","9491","10.1021/acs.inorgchem.6b01992","","","0.71073","MoKα","","0.0736","0.0396","","","0.0837","0.0887","","","","","","1.117","","","","has coordinates,has disorder","233637","2020-10-21","18:00:00",""
"4349157","10.983","0.0007","16.819","0.001","13.3838","0.0008","90","","111.637","0.001","90","","2298.1","0.2","100","0.5","100","0.5","","","","","","","","9","P 1 21/n 1","-P 2yn","14","jonyj41","Tp'Rh(PMe3)(OMe)Br","","- C18 H32 B Br0.86 Cl0.14 N6 O0.86 P Rh -","- C18 H32.0002 B Br0.8537 Cl0.146 N6 O0.8542 P Rh -","- C72 H128.001 B4 Br3.4148 Cl0.584 N24 O3.4168 P4 Rh4 -","4","1","","Yuwen, Jing; Jiao, Yunzhe; Brennessel, William W.; Jones, William D.","Determination of Rhodium-Alkoxide Bond Strengths in Tp'Rh(PMe3)(OR)H.","Inorganic chemistry","2016","55","18","9482","9491","10.1021/acs.inorgchem.6b01992","","","0.71073","MoKα","","0.0748","0.0412","","","0.0875","0.0977","","","","","","1.026","","","","has coordinates,has disorder","233637","2020-10-21","18:00:00",""
"4349158","9.5464","0.0015","14.181","0.002","23.72","0.004","103.231","0.004","94.598","0.004","96.035","0.004","3090.5","0.8","273","2","273","2","","","","","","","","5","P -1","-P 1","2","Cerium(III)6’,6-bis(1-benzyl-1H-1,2,3-triazol-4-yl)-2,2’-bipyridine","","","- C28 H21 Ce N11 O9 -","- C28 H22 Ce N11 O9 -","- C112 H88 Ce4 N44 O36 -","4","2","","Muller, Julie M.; Galley, Shane S.; Albrecht-Schmitt, Thomas E; Nash, Kenneth L.","Characterization of Lanthanide Complexes with Bis-1,2,3-triazole-bipyridine Ligands Involved in Actinide/Lanthanide Separation.","Inorganic chemistry","2016","55","21","11454","11461","10.1021/acs.inorgchem.6b02005","","","0.71073","MoKα","","0.1304","0.0559","","","0.0827","0.1001","","","","","","0.987","","","","has coordinates","254024","2020-10-21","18:00:00",""
"4349159","15.4185","0.001","15.8876","0.0011","15.7183","0.0011","90","","90","","90","","3850.4","0.5","100","2","100","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C22 H16 Cu2 N6 O2 -","- C22 H16 Cu2 N6 O2 -","- C176 H128 Cu16 N48 O16 -","8","1","","McMoran, Ethan P.; Powell, Douglas R.; Perez, Felio; Rowe, Gerard T.; Yang, Lei","Synthesis and Characterization of Copper Complexes with Cu<sup>I</sup>Cu<sup>I</sup>, Cu<sup>1.5</sup>Cu<sup>1.5</sup>m and Cu<sup>II</sup>Cu<sup>II</sup> Core Structures Supported by a Flexible Dipyridylamide Ligand.","Inorganic chemistry","2016","55","21","11462","11472","10.1021/acs.inorgchem.6b02006","","","0.71073","MoKα","","0.0345","0.0289","","","0.0812","0.0859","","","","","","0.993","","","","has coordinates","288505","2023-12-22","15:12:02",""
"4349160","15.031","0.003","27.899","0.006","11.378","0.002","90","","90","","90","","4771.4","1.6","100","2","100","2","","","","","","","","8","P 21 21 2","P 2 2ab","18","","","","- C47 H38 Cu4 F6 N12 Na O5 P -","- C47 H38 Cu4 F6 N12 Na O5 P -","- C188 H152 Cu16 F24 N48 Na4 O20 P4 -","4","1","","McMoran, Ethan P.; Powell, Douglas R.; Perez, Felio; Rowe, Gerard T.; Yang, Lei","Synthesis and Characterization of Copper Complexes with Cu<sup>I</sup>Cu<sup>I</sup>, Cu<sup>1.5</sup>Cu<sup>1.5</sup>m and Cu<sup>II</sup>Cu<sup>II</sup> Core Structures Supported by a Flexible Dipyridylamide Ligand.","Inorganic chemistry","2016","55","21","11462","11472","10.1021/acs.inorgchem.6b02006","","","0.71073","MoKα","","0.0906","0.0615","","","0.1201","0.1359","","","","","","0.996","","","","has coordinates","288505","2023-12-22","15:12:02",""
"4349161","12.799","0.004","12.332","0.004","14.475","0.005","90","","113.998","0.003","90","","2087.2","1.2","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C22 H16 Cl Cu2 N6 O2 -","- C22 H16 Cl Cu2 N6 O2 -","- C88 H64 Cl4 Cu8 N24 O8 -","4","0.5","","McMoran, Ethan P.; Powell, Douglas R.; Perez, Felio; Rowe, Gerard T.; Yang, Lei","Synthesis and Characterization of Copper Complexes with Cu<sup>I</sup>Cu<sup>I</sup>, Cu<sup>1.5</sup>Cu<sup>1.5</sup>m and Cu<sup>II</sup>Cu<sup>II</sup> Core Structures Supported by a Flexible Dipyridylamide Ligand.","Inorganic chemistry","2016","55","21","11462","11472","10.1021/acs.inorgchem.6b02006","","","0.71073","MoKα","","0.1053","0.0589","","","0.1471","0.1713","","","","","","1.02","","","","has coordinates","288505","2023-12-22","15:12:02",""
"4349162","15.219","0.004","7.4337","0.0019","19.372","0.005","90","","90","","90","","2191.6","1","100","2","100","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C22 H16 Cl2 Cu3 N6 O2 -","- C22 H16 Cl2 Cu3 N6 O2 -","- C88 H64 Cl8 Cu12 N24 O8 -","4","0.5","","McMoran, Ethan P.; Powell, Douglas R.; Perez, Felio; Rowe, Gerard T.; Yang, Lei","Synthesis and Characterization of Copper Complexes with Cu<sup>I</sup>Cu<sup>I</sup>, Cu<sup>1.5</sup>Cu<sup>1.5</sup>m and Cu<sup>II</sup>Cu<sup>II</sup> Core Structures Supported by a Flexible Dipyridylamide Ligand.","Inorganic chemistry","2016","55","21","11462","11472","10.1021/acs.inorgchem.6b02006","","","0.71073","MoKα","","0.0422","0.0262","","","0.0621","0.0705","","","","","","1.001","","","","has coordinates","288505","2023-12-22","15:12:02",""
"4349163","13.6382","0.0009","29.853","0.002","10.644","0.0007","90","","90","","90","","4333.6","0.5","100","2","100","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C39 H40 Cl2 Cu2 N10 O11 -","- C39 H40 Cl2 Cu2 N10 O11 -","- C156 H160 Cl8 Cu8 N40 O44 -","4","1","","McMoran, Ethan P.; Powell, Douglas R.; Perez, Felio; Rowe, Gerard T.; Yang, Lei","Synthesis and Characterization of Copper Complexes with Cu<sup>I</sup>Cu<sup>I</sup>, Cu<sup>1.5</sup>Cu<sup>1.5</sup>m and Cu<sup>II</sup>Cu<sup>II</sup> Core Structures Supported by a Flexible Dipyridylamide Ligand.","Inorganic chemistry","2016","55","21","11462","11472","10.1021/acs.inorgchem.6b02006","","","0.71073","MoKα","","0.0432","0.0381","","","0.0968","0.0998","","","","","","0.989","","","","has coordinates,has disorder","288505","2023-12-22","15:12:02",""
"4349164","10.7126","0.0016","10.9221","0.0017","16.046","0.002","90.953","0.002","101.778","0.002","91.607","0.002","1836.7","0.5","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C34 H28 Cu2 N10 O7 -","- C34 H28 Cu2 N10 O7 -","- C68 H56 Cu4 N20 O14 -","2","1","","McMoran, Ethan P.; Powell, Douglas R.; Perez, Felio; Rowe, Gerard T.; Yang, Lei","Synthesis and Characterization of Copper Complexes with Cu<sup>I</sup>Cu<sup>I</sup>, Cu<sup>1.5</sup>Cu<sup>1.5</sup>m and Cu<sup>II</sup>Cu<sup>II</sup> Core Structures Supported by a Flexible Dipyridylamide Ligand.","Inorganic chemistry","2016","55","21","11462","11472","10.1021/acs.inorgchem.6b02006","","","0.71073","MoKα","","0.0335","0.0316","","","0.0898","0.0912","","","","","","1.017","","","","has coordinates,has disorder","288505","2023-12-22","15:12:02",""
"4349165","10.0766","0.0016","33.708","0.006","11.1091","0.0018","90","","91.135","0.002","90","","3772.6","1.1","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C33 H26 B Cu2 F4 N9 O4 -","- C33 H26 B Cu2 F4 N9 O4 -","- C132 H104 B4 Cu8 F16 N36 O16 -","4","1","","McMoran, Ethan P.; Powell, Douglas R.; Perez, Felio; Rowe, Gerard T.; Yang, Lei","Synthesis and Characterization of Copper Complexes with Cu<sup>I</sup>Cu<sup>I</sup>, Cu<sup>1.5</sup>Cu<sup>1.5</sup>m and Cu<sup>II</sup>Cu<sup>II</sup> Core Structures Supported by a Flexible Dipyridylamide Ligand.","Inorganic chemistry","2016","55","21","11462","11472","10.1021/acs.inorgchem.6b02006","","","0.71073","MoKα","","0.1002","0.0844","","","0.1889","0.1953","","","","","","1.184","","","","has coordinates,has disorder","288505","2023-12-22","15:12:02",""
"4349166","18.8064","0.001","18.7873","0.001","22.3898","0.0012","90","","102.726","0.003","90","","7716.5","0.7","150","2","150","2","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C34 H22 Br2 F12 N6 P2 Ru -","- C34 H22 Br2 F12 N6 P2 Ru -","- C272 H176 Br16 F96 N48 P16 Ru8 -","8","2","","Iranmanesh, Hasti; Arachchige, Kasun S. A.; Bhadbhade, Mohan; Donald, William A.; Liew, Jane Y.; Liu, Kenny T.-C.; Luis, Ena T.; Moore, Evan G.; Price, Jason R.; Yan, Hong; Yang, Jiajia; Beves, Jonathon E.","Chiral Ruthenium(II) Complexes as Supramolecular Building Blocks for Heterometallic Self-Assembly.","Inorganic chemistry","2016","55","24","12737","12751","10.1021/acs.inorgchem.6b02007","","","0.71073","MoKα","","0.057","0.0503","","","0.1204","0.1232","","","","","","1.037","","","","has coordinates","233645","2020-10-21","18:00:00",""
"4349167","10.9641","0.0008","30.769","0.003","12.2946","0.0011","90","","100.83","0.004","90","","4073.8","0.6","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C39 H27 F12 N7 P2 Ru -","- C39 H27 F12 N7 P2 Ru -","- C156 H108 F48 N28 P8 Ru4 -","4","1","","Iranmanesh, Hasti; Arachchige, Kasun S. A.; Bhadbhade, Mohan; Donald, William A.; Liew, Jane Y.; Liu, Kenny T.-C.; Luis, Ena T.; Moore, Evan G.; Price, Jason R.; Yan, Hong; Yang, Jiajia; Beves, Jonathon E.","Chiral Ruthenium(II) Complexes as Supramolecular Building Blocks for Heterometallic Self-Assembly.","Inorganic chemistry","2016","55","24","12737","12751","10.1021/acs.inorgchem.6b02007","","x-ray","0.71073","MoKα","","0.0742","0.0485","","","0.1139","0.1228","","","","","","1.067","","","","has coordinates,has disorder","233647","2020-10-21","18:00:00",""
"4349168","22.203","0.004","13.674","0.003","27.303","0.006","90","","94.76","0.03","90","","8261","3","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C36 H26 Br F12 N7 P2 Ru -","- C36 H26 Br F12 N7 P2 Ru -","- C288 H208 Br8 F96 N56 P16 Ru8 -","8","1","","Iranmanesh, Hasti; Arachchige, Kasun S. A.; Bhadbhade, Mohan; Donald, William A.; Liew, Jane Y.; Liu, Kenny T.-C.; Luis, Ena T.; Moore, Evan G.; Price, Jason R.; Yan, Hong; Yang, Jiajia; Beves, Jonathon E.","Chiral Ruthenium(II) Complexes as Supramolecular Building Blocks for Heterometallic Self-Assembly.","Inorganic chemistry","2016","55","24","12737","12751","10.1021/acs.inorgchem.6b02007","","","0.71073","MoKα","","0.0969","0.0871","","","0.2232","0.2284","","","","","","1.109","","","","has coordinates,has disorder","233649","2020-10-21","18:00:00",""
"4349169","18.237","0.004","32.482","0.007","12.878","0.003","90","","90","","90","","7629","3","100","","100","","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C35 H26 Br2 F12 N6 O P2 Ru -","- C35 H26 Br2 F12 N6 O P2 Ru -","- C280 H208 Br16 F96 N48 O8 P16 Ru8 -","8","2","","Iranmanesh, Hasti; Arachchige, Kasun S. A.; Bhadbhade, Mohan; Donald, William A.; Liew, Jane Y.; Liu, Kenny T.-C.; Luis, Ena T.; Moore, Evan G.; Price, Jason R.; Yan, Hong; Yang, Jiajia; Beves, Jonathon E.","Chiral Ruthenium(II) Complexes as Supramolecular Building Blocks for Heterometallic Self-Assembly.","Inorganic chemistry","2016","55","24","12737","12751","10.1021/acs.inorgchem.6b02007","","","0.71073","MoKα","","0.0497","0.048","","","0.1249","0.1262","","","","","","1.043","","","","has coordinates","251896","2020-10-21","18:00:00",""
"4349170","11.44","0.002","14.71","0.003","14.99","0.003","76.03","0.03","78.88","0.03","86.64","0.03","2401.8","0.9","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C41 H27 F12 N7 P2 Ru -","- C41 H27 F12 N7 P2 Ru -","- C82 H54 F24 N14 P4 Ru2 -","2","1","","Iranmanesh, Hasti; Arachchige, Kasun S. A.; Bhadbhade, Mohan; Donald, William A.; Liew, Jane Y.; Liu, Kenny T.-C.; Luis, Ena T.; Moore, Evan G.; Price, Jason R.; Yan, Hong; Yang, Jiajia; Beves, Jonathon E.","Chiral Ruthenium(II) Complexes as Supramolecular Building Blocks for Heterometallic Self-Assembly.","Inorganic chemistry","2016","55","24","12737","12751","10.1021/acs.inorgchem.6b02007","","","0.71073","MoKα","","0.0953","0.0765","","","0.2021","0.2139","","","","","","1.019","","","","has coordinates,has disorder","233654","2020-10-21","18:00:00",""
"4349171","12.7248","0.0011","14.3433","0.0011","14.7081","0.0012","72.936","0.003","81.38","0.003","71.364","0.003","2427.1","0.3","150","2","150","","","","","","","","","7","P -1","-P 1","2","","","","- C44 H36 F12 N8 O3 P2 Ru -","- C44 H36 F12 N8 O3 P2 Ru -","- C88 H72 F24 N16 O6 P4 Ru2 -","2","1","","Iranmanesh, Hasti; Arachchige, Kasun S. A.; Bhadbhade, Mohan; Donald, William A.; Liew, Jane Y.; Liu, Kenny T.-C.; Luis, Ena T.; Moore, Evan G.; Price, Jason R.; Yan, Hong; Yang, Jiajia; Beves, Jonathon E.","Chiral Ruthenium(II) Complexes as Supramolecular Building Blocks for Heterometallic Self-Assembly.","Inorganic chemistry","2016","55","24","12737","12751","10.1021/acs.inorgchem.6b02007","","","0.71073","MoKα","","0.0797","0.0659","","","0.1668","0.1732","","","","","","1.075","","","","has coordinates","233656","2020-10-21","18:00:00",""
"4349172","12.638","0.003","23.853","0.005","16.772","0.003","90","","95.94","0.03","90","","5028.8","1.8","100","2","100","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C180 H134 F48 N32 O3 P8 Ru4 -","- C180 H134 F47.9998 N32 O3 P8 Ru4 -","- C180 H134 F47.9998 N32 O3 P8 Ru4 -","1","0.5","","Iranmanesh, Hasti; Arachchige, Kasun S. A.; Bhadbhade, Mohan; Donald, William A.; Liew, Jane Y.; Liu, Kenny T.-C.; Luis, Ena T.; Moore, Evan G.; Price, Jason R.; Yan, Hong; Yang, Jiajia; Beves, Jonathon E.","Chiral Ruthenium(II) Complexes as Supramolecular Building Blocks for Heterometallic Self-Assembly.","Inorganic chemistry","2016","55","24","12737","12751","10.1021/acs.inorgchem.6b02007","","","0.71073","Synchrotron","","0.0618","0.0494","","","0.1232","0.1302","","","","","","1.022","","","","has coordinates,has disorder","233658","2020-10-21","18:00:00",""
"4349173","16.373","0.003","24.228","0.005","20.184","0.004","90","","105.82","0.03","90","","7703","3","100","2","100","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C44 H30 Cd Cl3 F6 N8 P Ru -","- C44 H30 Cd Cl3 F6 N8 P Ru -","- C176 H120 Cd4 Cl12 F24 N32 P4 Ru4 -","4","0.5","","Iranmanesh, Hasti; Arachchige, Kasun S. A.; Bhadbhade, Mohan; Donald, William A.; Liew, Jane Y.; Liu, Kenny T.-C.; Luis, Ena T.; Moore, Evan G.; Price, Jason R.; Yan, Hong; Yang, Jiajia; Beves, Jonathon E.","Chiral Ruthenium(II) Complexes as Supramolecular Building Blocks for Heterometallic Self-Assembly.","Inorganic chemistry","2016","55","24","12737","12751","10.1021/acs.inorgchem.6b02007","","","0.71073","MoKα","","0.1313","0.1074","","","0.3015","0.3196","","","","","","1.137","","","","has coordinates","233660","2020-10-21","18:00:00",""
"4349174","18.0249","0.0006","18.0249","0.0006","13.4046","0.0005","90","","90","","120","","3771.6","0.2","299","2","299","2","","","","","","","","4","R -3 :H","-R 3","148","Indiumborate","In19B34O74(OH)11","","- B34 H11 In19 O85 -","- B34 H10.0002 In19 O85 -","- B102 H30.0006 In57 O255 -","3","0.166667","","Vitzthum, Daniela; Wurst, Klaus; Prock, Johannes; Brüggeller, Peter; Huppertz, Hubert","The Indium Borate In<sub>19</sub>B<sub>34</sub>O<sub>74</sub>(OH)<sub>11</sub> with T2 Supertetrahedra.","Inorganic chemistry","2016","55","21","11473","11478","10.1021/acs.inorgchem.6b02029","","","0.71073","MoKα","","0.0195","0.0165","","","0.0359","0.0366","","","","","","1.094","","","","has coordinates,has disorder","233663","2020-10-21","18:00:00",""
"4349175","10.32728","0.00015","11.1756","0.00016","16.8866","0.0002","90","","90","","90","","1948.94","0.05","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C21 H25 Cl N3 Pt -","- C20 H25 Cl N4 Pt -","- C80 H100 Cl4 N16 Pt4 -","4","1","","Ai, Yeye; Li, Yongguang; Ma, Huiqing; Su, Cheng-Yong; Yam, Vivian Wing-Wah","Cyclometalated Platinum(II) Complexes of 1,3-Bis(1-n-butylpyrazol-3-yl)benzenes: Synthesis, Characterization, Electrochemical, Photophysical, and Gelation Behavior Studies.","Inorganic chemistry","2016","55","22","11920","11929","10.1021/acs.inorgchem.6b02033","","","1.54184","CuKα","","0.0231","0.0226","","","0.0584","0.0588","","","","","","1.046","","","","has coordinates","233665","2020-10-21","18:00:00",""
"4349176","12.099","0.0002","16.5708","0.0003","13.1513","0.0002","90","","109.946","0.002","90","","2478.54","0.08","289.41","0.1","289.41","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H33 N5 O2 Pt -","- C28 H29 N5 O2 Pt -","- C112 H116 N20 O8 Pt4 -","4","1","","Ai, Yeye; Li, Yongguang; Ma, Huiqing; Su, Cheng-Yong; Yam, Vivian Wing-Wah","Cyclometalated Platinum(II) Complexes of 1,3-Bis(1-n-butylpyrazol-3-yl)benzenes: Synthesis, Characterization, Electrochemical, Photophysical, and Gelation Behavior Studies.","Inorganic chemistry","2016","55","22","11920","11929","10.1021/acs.inorgchem.6b02033","","x-ray","1.54184","CuKα","","0.0381","0.0372","","","0.1061","0.107","","","","","","1.125","","","","has coordinates","233667","2020-10-21","18:00:00",""
"4349177","4.9645","0.0014","4.9645","0.0014","27.207","0.011","90","","90","","120","","580.7","0.3","296","2","296","2","","","","","","","","5","R 3 2 :H","R 3 2""","155","","","","- B Cl2 O3 Rb Zn2 -","- B Cl2 O3 Rb Zn2 -","- B3 Cl6 O9 Rb3 Zn6 -","3","0.166667","","Huang, Qian; Liu, Lijuan; Wang, Xiaoyang; Li, Rukang; Chen, Chuangtian","Beryllium-Free KBBF Family of Nonlinear-Optical Crystals: AZn<sub>2</sub>BO<sub>3</sub>X<sub>2</sub> (A = Na, K, Rb; X = Cl, Br).","Inorganic chemistry","2016","55","24","12496","12499","10.1021/acs.inorgchem.6b02044","","","0.71073","MoKα","","0.0271","0.0256","","","0.0826","0.0832","","","","","","1.205","","","","has coordinates","233669","2020-10-21","18:00:00",""
"4349178","17.5866","0.0007","9.3976","0.0003","22.8638","0.0007","90","","101.591","0.002","90","","3701.7","0.2","100","","100","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C48 H36 Hg P2 -","- C48 H36 Hg P2 -","- C192 H144 Hg4 P8 -","4","0.5","","Hupf, Emanuel; Kather, Ralf; Vogt, Matthias; Lork, Enno; Mebs, Stefan; Beckmann, Jens","Role of Dispersion in Metallophilic Hg···M Interactions (M = Cu, Ag, Au) within Coinage Metal Complexes of Bis(6-diphenylphosphinoacenaphth-5-yl)mercury.","Inorganic chemistry","2016","55","21","11513","11521","10.1021/acs.inorgchem.6b02056","","","0.71073","MoKα","","0.0166","0.0157","","","0.0361","0.0365","","","","","","1.17","","","","has coordinates","233671","2020-10-21","18:00:00",""
"4349179","12.838","0.0002","13.4593","0.0003","13.4997","0.0003","74.396","0.001","73.542","0.001","71.265","0.001","2077.43","0.07","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C49 H38 Cl3 Cu Hg P2 -","- C49 H38 Cl3 Cu Hg P2 -","- C98 H76 Cl6 Cu2 Hg2 P4 -","2","1","","Hupf, Emanuel; Kather, Ralf; Vogt, Matthias; Lork, Enno; Mebs, Stefan; Beckmann, Jens","Role of Dispersion in Metallophilic Hg···M Interactions (M = Cu, Ag, Au) within Coinage Metal Complexes of Bis(6-diphenylphosphinoacenaphth-5-yl)mercury.","Inorganic chemistry","2016","55","21","11513","11521","10.1021/acs.inorgchem.6b02056","","","0.71073","MoKα","","0.0374","0.0298","","","0.0682","0.0703","","","","","","1.052","","","","has coordinates,has disorder","233671","2020-10-21","18:00:00",""
"4349180","12.2731","0.0004","12.8124","0.0004","16.1601","0.0005","101.376","0.001","99.316","0.001","92.873","0.001","2449.5","0.13","100","","100","","","","","","","","","9","P -1","-P 1","2","","","","- C52 H43 B Cl4 Cu F4 Hg N P2 -","- C52 H43 B Cl4 Cu F4 Hg N P2 -","- C104 H86 B2 Cl8 Cu2 F8 Hg2 N2 P4 -","2","1","","Hupf, Emanuel; Kather, Ralf; Vogt, Matthias; Lork, Enno; Mebs, Stefan; Beckmann, Jens","Role of Dispersion in Metallophilic Hg···M Interactions (M = Cu, Ag, Au) within Coinage Metal Complexes of Bis(6-diphenylphosphinoacenaphth-5-yl)mercury.","Inorganic chemistry","2016","55","21","11513","11521","10.1021/acs.inorgchem.6b02056","","","0.71073","MoKα","","0.048","0.0328","","","0.0671","0.0711","","","","","","1.055","","","","has coordinates,has disorder","233671","2020-10-21","18:00:00",""
"4349181","30.933","0.008","7.3886","0.0016","25.7","0.007","90","","111.909","0.006","90","","5450","2","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C23 H20 Cd N2 O4 S6 -","- C23 H20 Cd N2 O4 S6 -","- C184 H160 Cd8 N16 O32 S48 -","8","1","","Chen, Ting; Huo, Peng; Hou, Jin-Le; Xu, Jing; Zhu, Qin-Yu; Dai, Jie","Confinement Effects of Metal-Organic Framework on the Formation of Charge-Transfer Tetrathiafulvalene Dimers.","Inorganic chemistry","2016","55","24","12758","12765","10.1021/acs.inorgchem.6b02062","","","0.71075","MoKα","","0.1822","0.1225","","","0.1802","0.2048","","","","","","1.194","","","","has coordinates","233673","2020-10-21","18:00:00",""
"4349182","11.679","0.002","16.526","0.003","25.117","0.005","90","","90.02","0.03","90","","4847.8","1.5","293","2","293","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C37 H38 Cd2 Cl N4 O12 S6 -","- C37 H34 Cd2 Cl N4 O12 S6 -","- C148 H136 Cd8 Cl4 N16 O48 S24 -","4","1","","Chen, Ting; Huo, Peng; Hou, Jin-Le; Xu, Jing; Zhu, Qin-Yu; Dai, Jie","Confinement Effects of Metal-Organic Framework on the Formation of Charge-Transfer Tetrathiafulvalene Dimers.","Inorganic chemistry","2016","55","24","12758","12765","10.1021/acs.inorgchem.6b02062","","","0.71073","MoKα","","0.1604","0.1259","","","0.1805","0.196","","","","","","1.141","","","","has coordinates","233675","2020-10-21","18:00:00",""
"4349183","30.627","0.004","7.4058","0.0009","25.397","0.003","90","","111.391","0.003","90","","5363.7","1.2","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C23 H20 Mn N2 O4 S6 -","- C23 H20 Mn N2 O4 S6 -","- C184 H160 Mn8 N16 O32 S48 -","8","1","","Chen, Ting; Huo, Peng; Hou, Jin-Le; Xu, Jing; Zhu, Qin-Yu; Dai, Jie","Confinement Effects of Metal-Organic Framework on the Formation of Charge-Transfer Tetrathiafulvalene Dimers.","Inorganic chemistry","2016","55","24","12758","12765","10.1021/acs.inorgchem.6b02062","","","0.71075","MoKα","","0.1156","0.0769","","","0.1267","0.1432","","","","","","1.13","","","","has coordinates","233677","2020-10-21","18:00:00",""
"4349184","9.3751","0.0005","11.72","0.0008","15.59","0.0008","90","","90","","90","","1712.97","0.17","150","2","150","1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C12 H27 B8 N -","- C12 H27 B8 N -","- C48 H108 B32 N4 -","4","1","","Tok, Oleg L.; Růžičková, Zdenka; Růžička, Aleš; Hnyk, Drahomír; Štíbr, Bohumil","Prototropic μ-H<sup>8,9</sup> and μ-H<sup>9,10</sup> Tautomers Derived from the [nido-5,6-C<sub>2</sub>B<sub>8</sub>H<sub>11</sub>]<sup>-</sup> Anion.","Inorganic chemistry","2016","55","20","10122","10124","10.1021/acs.inorgchem.6b02076","","","0.71073","MoKα","","0.0941","0.059","","","0.1264","0.1496","","","","","","1.056","","","","has coordinates","233679","2020-10-21","18:00:00",""
"4349185","7.449","0.0008","7.891","0.0011","14.826","0.0017","88.895","0.012","82.014","0.01","75.824","0.009","836.64","0.18","150","1","150","1","","","","","","","","4","P -1","-P 1","2","","","","- C10 H31 B8 N -","- C10 H31 B8 N -","- C20 H62 B16 N2 -","2","1","","Tok, Oleg L.; Růžičková, Zdenka; Růžička, Aleš; Hnyk, Drahomír; Štíbr, Bohumil","Prototropic μ-H<sup>8,9</sup> and μ-H<sup>9,10</sup> Tautomers Derived from the [nido-5,6-C<sub>2</sub>B<sub>8</sub>H<sub>11</sub>]<sup>-</sup> Anion.","Inorganic chemistry","2016","55","20","10122","10124","10.1021/acs.inorgchem.6b02076","","","0.71073","MoKα","","0.1261","0.0777","","","0.1662","0.1994","","","","","","1.07","","","","has coordinates","233681","2020-10-21","18:00:00",""
"4349186","13.527","0.003","21.472","0.004","14.142","0.003","90","","114.98","0.03","90","","3723.3","1.6","133","2","133","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C27 H50 Cl2 Fe2 N10 O10 -","- C27 H50 Cl2 Fe2 N10 O10 -","- C108 H200 Cl8 Fe8 N40 O40 -","4","1","","Kindermann, Nicole; Schober, Anne; Demeshko, Serhiy; Lehnert, Nicolai; Meyer, Franc","Reductive Transformations of a Pyrazolate-Based Bioinspired Diiron-Dinitrosyl Complex.","Inorganic chemistry","2016","55","21","11538","11550","10.1021/acs.inorgchem.6b02080","","","0.71073","MoKα","","0.044","0.0291","","","0.0668","0.0703","","","","","","0.956","","","","has coordinates","233683","2020-10-21","18:00:00",""
"4349187","21.485","0.004","17.045","0.003","21.035","0.004","90","","95.12","0.03","90","","7673","2","133","2","133","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C83.5 H98.5 B2 Fe2 N10.5 O2 -","- C83.5 H98.5 B2 Fe2 N10.5 O2 -","- C334 H394 B8 Fe8 N42 O8 -","4","0.5","","Kindermann, Nicole; Schober, Anne; Demeshko, Serhiy; Lehnert, Nicolai; Meyer, Franc","Reductive Transformations of a Pyrazolate-Based Bioinspired Diiron-Dinitrosyl Complex.","Inorganic chemistry","2016","55","21","11538","11550","10.1021/acs.inorgchem.6b02080","","","0.71073","MoKα","","0.0747","0.0542","","","0.1393","0.1481","","","","","","1.03","","","","has coordinates,has disorder","233683","2020-10-21","18:00:00",""
"4349188","12.585","0.003","23.041","0.005","25.469","0.005","100.83","0.03","90.48","0.03","104.63","0.03","7006","3","133","2","133","2","","","","","","","","6","P -1","-P 1","2","","","","- C77.5 H88.5 B2 Fe2 N10.5 O4 -","- C77.5 H88.5 B2 Fe2 N10.5 O4 -","- C310 H354 B8 Fe8 N42 O16 -","4","2","","Kindermann, Nicole; Schober, Anne; Demeshko, Serhiy; Lehnert, Nicolai; Meyer, Franc","Reductive Transformations of a Pyrazolate-Based Bioinspired Diiron-Dinitrosyl Complex.","Inorganic chemistry","2016","55","21","11538","11550","10.1021/acs.inorgchem.6b02080","","","0.71073","MoKα","","0.1388","0.0648","","","0.0954","0.1126","","","","","","0.926","","","","has coordinates,has disorder","233683","2020-10-21","18:00:00",""
"4349189","13.024","0.003","9.1413","0.0018","13.691","0.003","90","","103.89","0.03","90","","1582.3","0.6","133","2","133","2","","","","","","","","6","P 1 2/c 1","-P 2yc","13","","","","- C21 H41 Cl Fe2 N12 O8 -","- C21 H41 Cl Fe2 N12 O8 -","- C42 H82 Cl2 Fe4 N24 O16 -","2","0.5","","Kindermann, Nicole; Schober, Anne; Demeshko, Serhiy; Lehnert, Nicolai; Meyer, Franc","Reductive Transformations of a Pyrazolate-Based Bioinspired Diiron-Dinitrosyl Complex.","Inorganic chemistry","2016","55","21","11538","11550","10.1021/acs.inorgchem.6b02080","","","0.71073","MoKα","","0.1172","0.0894","","","0.2399","0.2542","","","","","","1.064","","","","has coordinates","233683","2020-10-21","18:00:00",""
"4349190","10.822","0.002","10.938","0.002","14.174","0.003","96.57","0.03","99.94","0.03","95","0.03","1631.9","0.6","133","2","133","2","","","","","","","","6","P -1","-P 1","2","","","","- C25 H47 Cl Fe2 N8 O8 -","- C25 H47 Cl Fe2 N8 O8 -","- C50 H94 Cl2 Fe4 N16 O16 -","2","1","","Kindermann, Nicole; Schober, Anne; Demeshko, Serhiy; Lehnert, Nicolai; Meyer, Franc","Reductive Transformations of a Pyrazolate-Based Bioinspired Diiron-Dinitrosyl Complex.","Inorganic chemistry","2016","55","21","11538","11550","10.1021/acs.inorgchem.6b02080","","","0.71073","MoKα","","0.0494","0.0372","","","0.0988","0.1034","","","","","","1.051","","","","has coordinates,has disorder","233683","2020-10-21","18:00:00",""
"4349191","22.543","0.005","24.369","0.005","24.845","0.005","97.049","0.002","114.107","0.001","111.849","0.002","10939","4","153","2","153","2","","","","","","","synthesis as described","4","P -1","-P 1","2","","RhMOP_H_DMPU_153K","","- C192 H96 O120 Rh24 -","- C192 H96 O120 Rh24 -","- C192 H96 O120 Rh24 -","1","0.5","","Furukawa, Shuhei; Horike, Nao; Kondo, Mio; Hijikata, Yuh; Carné-Sánchez, Arnau; Larpent, Patrick; Louvain, Nicolas; Diring, Stéphane; Sato, Hiroshi; Matsuda, Ryotaro; Kawano, Ryuji; Kitagawa, Susumu","Rhodium-Organic Cuboctahedra as Porous Solids with Strong Binding Sites.","Inorganic chemistry","2016","55","21","10843","10846","10.1021/acs.inorgchem.6b02091","","","0.71069","MoKα","","0.1138","0.0698","","","0.1654","0.1934","","","","","","0.866","","","","has coordinates","233685","2020-10-21","18:00:00",""
"4349192","14.906","0.002","14.906","0.002","14.906","0.002","90","","90","","90","","3311.9","0.8","173","","173","","","","","","","","","7","P m -3","-P 2 2 3","200","","Tris(bis(acetonitrile)-tetraaqua nickel (II))-tetrakis(μ~3~-oxo)-tetrakis(μ~3~-hydroxo) dodecakis(μ-κ^1^:κ^1^trifluoroacetato) hexakisbismuth water solvate","","- C42 H66 Bi6 F36 N6 Ni3 O64 -","- C42 H66 Bi6 F36 N6 Ni3 O64 -","- C42 H66 Bi6 F36 N6 Ni3 O64 -","1","0.0416667","","Loera Fernandez, Ismael I.; Donaldson, Samantha L.; Schipper, Desmond E.; Andleeb, Sohaila; Whitmire, Kenton H.","Anionic Bismuth-Oxido Carboxylate Clusters with Transition Metal Countercations.","Inorganic chemistry","2016","55","21","11560","11569","10.1021/acs.inorgchem.6b02092","","","0.71073","MoKα","","0.0442","0.041","","","0.1205","0.1227","","","","","","1.212","","","","has coordinates","233689","2020-10-21","18:00:00",""
"4349193","14.8825","0.0003","14.8825","0.0003","14.8825","0.0003","90","","90","","90","","3296.31","0.12","173","","173","","","","","","","","","7","P m -3","-P 2 2 3","200","","Tris(bis(acetonitrile)-tetraaqua cobalt (II))-tetrakis(μ~3~-oxo)-tetrakis(μ~3~-hydroxo) dodecakis(μ-κ^1^:κ^1^trifluoroacetato) hexakisbismuth(III) water solvate","","- C42 H66 Bi6 Co3 F36 N6 O64 -","- C42 H66 Bi6 Co3 F36 N6 O64 -","- C42 H66 Bi6 Co3 F36 N6 O64 -","1","0.0416667","","Loera Fernandez, Ismael I.; Donaldson, Samantha L.; Schipper, Desmond E.; Andleeb, Sohaila; Whitmire, Kenton H.","Anionic Bismuth-Oxido Carboxylate Clusters with Transition Metal Countercations.","Inorganic chemistry","2016","55","21","11560","11569","10.1021/acs.inorgchem.6b02092","","","0.71073","MoKα","","0.0558","0.048","","","0.1393","0.1452","","","","","","1.109","","","","has coordinates","233689","2020-10-21","18:00:00",""
"4349194","11.538","0.002","24.701","0.004","21.852","0.004","90","","99.324","0.002","90","","6145.5","1.8","173","","173","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C32 H18 Bi4 Co F30 N6 O22 -","- C32 H18 Bi4 Co F30 N6 O22 -","- C128 H72 Bi16 Co4 F120 N24 O88 -","4","1","","Loera Fernandez, Ismael I.; Donaldson, Samantha L.; Schipper, Desmond E.; Andleeb, Sohaila; Whitmire, Kenton H.","Anionic Bismuth-Oxido Carboxylate Clusters with Transition Metal Countercations.","Inorganic chemistry","2016","55","21","11560","11569","10.1021/acs.inorgchem.6b02092","","","0.71073","MoKα","","0.1006","0.0508","","","0.1041","0.1424","","","","","","1.135","","","","has coordinates,has disorder","233689","2020-10-21","18:00:00",""
"4349195","11.382","0.004","22.18","0.007","15.021","0.005","90","","94.319","0.004","90","","3781","2","173","","173","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C21 H14.25 Bi2 Co0.5 F21 N O18 -","- C21 H14.26 Bi2 Co0.5 F21 N O18 -","- C84 H57.04 Bi8 Co2 F84 N4 O72 -","4","1","","Loera Fernandez, Ismael I.; Donaldson, Samantha L.; Schipper, Desmond E.; Andleeb, Sohaila; Whitmire, Kenton H.","Anionic Bismuth-Oxido Carboxylate Clusters with Transition Metal Countercations.","Inorganic chemistry","2016","55","21","11560","11569","10.1021/acs.inorgchem.6b02092","","","0.71073","MoKα","","0.0591","0.045","","","0.0951","0.1035","","","","","","1.129","","","","has coordinates,has disorder","233689","2020-10-21","18:00:00",""
"4349196","10.054","0.003","12.97","0.004","15.296","0.005","104.175","0.004","103.337","0.003","90.791","0.001","1876.5","1","173","","173","","","","","","","","","7","P -1","-P 1","2","","","","- C40 H24 Bi4 Cu2 F36 N8 O26 -","- C40 H26 Bi4 Cu2 F36 N8 O26 -","- C40 H26 Bi4 Cu2 F36 N8 O26 -","1","0.5","","Loera Fernandez, Ismael I.; Donaldson, Samantha L.; Schipper, Desmond E.; Andleeb, Sohaila; Whitmire, Kenton H.","Anionic Bismuth-Oxido Carboxylate Clusters with Transition Metal Countercations.","Inorganic chemistry","2016","55","21","11560","11569","10.1021/acs.inorgchem.6b02092","","","0.71073","MoKα","","0.0434","0.0356","","","0.0889","0.0938","","","","","","1.025","","","","has coordinates,has disorder","233689","2020-10-21","18:00:00",""
"4349197","9.429","0.003","13.001","0.005","13.971","0.005","113.359","0.005","96.626","0.002","96.678","0.003","1536.9","0.9","173","","173","","","","","","","","","6","P -1","-P 1","2","","","","- C16 H12 Bi2 F18 N O13 -","- C16 H13 Bi2 F18 N O13 -","- C32 H26 Bi4 F36 N2 O26 -","2","1","","Loera Fernandez, Ismael I.; Donaldson, Samantha L.; Schipper, Desmond E.; Andleeb, Sohaila; Whitmire, Kenton H.","Anionic Bismuth-Oxido Carboxylate Clusters with Transition Metal Countercations.","Inorganic chemistry","2016","55","21","11560","11569","10.1021/acs.inorgchem.6b02092","","","0.71073","MoKα","","0.0479","0.0393","","","0.092","0.0982","","","","","","1.059","","","","has coordinates","233689","2020-10-21","18:00:00",""
"4349198","18.84","0.007","8.964","0.003","19.456","0.007","90","","114.02","0.004","90","","3001.2","1.9","178","","178","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C14 H22 Bi Co N8 O22 -","- C14 H21.9998 Bi Co N7.9998 O22.0002 -","- C56 H87.9992 Bi4 Co4 N31.9992 O88.0008 -","4","0.5","","Loera Fernandez, Ismael I.; Donaldson, Samantha L.; Schipper, Desmond E.; Andleeb, Sohaila; Whitmire, Kenton H.","Anionic Bismuth-Oxido Carboxylate Clusters with Transition Metal Countercations.","Inorganic chemistry","2016","55","21","11560","11569","10.1021/acs.inorgchem.6b02092","","","0.71073","MoKα","","0.0489","0.0386","","","0.0871","0.0983","","","","","","1.094","","","","has coordinates","233689","2020-10-21","18:00:00",""
"4349199","19.183","0.005","8.229","0.002","21.938","0.007","90","","103.23","0.007","90","","3371.2","1.6","140","2","140","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C66 H66 F6 Fe2 N12 O8 S2 -","- C66 H66 F6 Fe2 N12 O8 S2 -","- C132 H132 F12 Fe4 N24 O16 S4 -","2","0.5","","van der Meer, Margarethe; Rechkemmer, Yvonne; Breitgoff, Frauke D.; Marx, Raphael; Neugebauer, Petr; Frank, Uta; van Slageren, Joris; Sarkar, Biprajit","Multiple Bistability in Quinonoid-Bridged Diiron(II) Complexes: Influence of Bridge Symmetry on Bistable Properties.","Inorganic chemistry","2016","55","22","11944","11953","10.1021/acs.inorgchem.6b02097","","","0.71073","MoKα","","0.1258","0.0517","","","0.1093","0.1524","","","","","","1.051","","","","has coordinates","233693","2020-10-21","18:00:00",""
"4349200","12.219","0.004","13.352","0.004","20.302","0.007","102.612","0.007","95.369","0.008","101.673","0.008","3132.4","1.8","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C56 H55 Cl6 F6 Fe2 N9 O9 S2 -","- C56 H55 Cl6 F6 Fe2 N9 O9 S2 -","- C112 H110 Cl12 F12 Fe4 N18 O18 S4 -","2","1","","van der Meer, Margarethe; Rechkemmer, Yvonne; Breitgoff, Frauke D.; Marx, Raphael; Neugebauer, Petr; Frank, Uta; van Slageren, Joris; Sarkar, Biprajit","Multiple Bistability in Quinonoid-Bridged Diiron(II) Complexes: Influence of Bridge Symmetry on Bistable Properties.","Inorganic chemistry","2016","55","22","11944","11953","10.1021/acs.inorgchem.6b02097","","","0.71073","MoKα","","0.1253","0.0896","","","0.2428","0.2758","","","","","","0.993","","","","has coordinates,has disorder","233693","2020-10-21","18:00:00",""
"4349201","14.049","0.002","23.107","0.003","14.788","0.002","90","","95.085","0.004","90","","4781.7","1.1","123","","123","","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C55 H41 Au4 N4 O2 -","- C54 H40 Au4 N4 O -","- C216 H160 Au16 N16 O4 -","4","0.5","","Seki, Tomohiro; Jin, Mingoo; Ito, Hajime","Introduction of a Biphenyl Moiety for a Solvent-Responsive Aryl Gold(I) Isocyanide Complex with Mechanical Reactivation.","Inorganic chemistry","2016","55","23","12309","12320","10.1021/acs.inorgchem.6b02107","","","0.71075","MoKα","","0.0625","0.0427","","","0.0796","0.0903","","","","","","1.069","","","","has coordinates,has disorder","233696","2020-10-21","18:00:00",""
"4349202","14.5267","0.0012","22.4381","0.0019","14.9342","0.0016","90","0.004","97.384","0.004","90","0.007","4827.5","0.8","123","","123","","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","","","- C28 H21 Au2 N3 -","- C28 H21 Au2 N3 -","- C224 H168 Au16 N24 -","8","1","","Seki, Tomohiro; Jin, Mingoo; Ito, Hajime","Introduction of a Biphenyl Moiety for a Solvent-Responsive Aryl Gold(I) Isocyanide Complex with Mechanical Reactivation.","Inorganic chemistry","2016","55","23","12309","12320","10.1021/acs.inorgchem.6b02107","","","0.71075","MoKα","","0.0768","0.0546","","","0.1058","0.1172","","","","","","1.063","","","","has coordinates,has disorder","233698","2020-10-21","18:00:00",""
"4349203","15.6589","0.0007","21.6542","0.001","15.3795","0.0006","90","","90","","90","","5214.9","0.4","123","","123","","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C27 H19 Au2 Cl3 N2 -","- C27 H19 Au2 Cl3 N2 -","- C216 H152 Au16 Cl24 N16 -","8","1","","Seki, Tomohiro; Jin, Mingoo; Ito, Hajime","Introduction of a Biphenyl Moiety for a Solvent-Responsive Aryl Gold(I) Isocyanide Complex with Mechanical Reactivation.","Inorganic chemistry","2016","55","23","12309","12320","10.1021/acs.inorgchem.6b02107","","","0.71075","MoKα","","0.054","0.0362","","","0.0887","0.0972","","","","","","1.011","","","","has coordinates","233700","2020-10-21","18:00:00",""
"4349204","13.946","0.003","22.946","0.004","14.767","0.003","90","0.008","94.872","0.009","90","0.016","4708.4","1.6","123","","123","","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C55 H43 Au4 N5 O -","- C55 H43 Au4 N5 O -","- C220 H172 Au16 N20 O4 -","4","0.5","","Seki, Tomohiro; Jin, Mingoo; Ito, Hajime","Introduction of a Biphenyl Moiety for a Solvent-Responsive Aryl Gold(I) Isocyanide Complex with Mechanical Reactivation.","Inorganic chemistry","2016","55","23","12309","12320","10.1021/acs.inorgchem.6b02107","","","0.71075","MoKα","","0.1585","0.0798","","","0.1859","0.2505","","","","","","1.081","","","","has coordinates,has disorder","233702","2020-10-21","18:00:00",""
"4349205","14.3746","0.0013","22.3016","0.0017","15.6172","0.0016","90","","94.317","0.008","90","","4992.3","0.8","123","","123","","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C27 H20 Au2 Br2 N2 -","- C27 H20 Au2 Br2 N2 -","- C216 H160 Au16 Br16 N16 -","8","1","","Seki, Tomohiro; Jin, Mingoo; Ito, Hajime","Introduction of a Biphenyl Moiety for a Solvent-Responsive Aryl Gold(I) Isocyanide Complex with Mechanical Reactivation.","Inorganic chemistry","2016","55","23","12309","12320","10.1021/acs.inorgchem.6b02107","","","0.71075","MoKα","","0.174","0.087","","","0.2033","0.2665","","","","","","0.994","","","","has coordinates","233704","2020-10-21","18:00:00",""
"4349206","14.3824","0.0008","22.3603","0.0009","15.4312","0.0007","90","0.005","94.258","0.003","90","0.003","4948.9","0.4","123","","123","","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C27 H18 Au2 Cl2 N2 -","- C27 H20 Au2 Cl2 N2 -","- C216 H160 Au16 Cl16 N16 -","8","1","","Seki, Tomohiro; Jin, Mingoo; Ito, Hajime","Introduction of a Biphenyl Moiety for a Solvent-Responsive Aryl Gold(I) Isocyanide Complex with Mechanical Reactivation.","Inorganic chemistry","2016","55","23","12309","12320","10.1021/acs.inorgchem.6b02107","","","0.71075","MoKα","","0.0861","0.0518","","","0.1018","0.1345","","","","","","1.083","","","","has coordinates","233706","2020-10-21","18:00:00",""
"4349207","13.9136","0.0009","14.8769","0.0009","15.0369","0.0009","78.416","0.003","65.9278","0.0014","63.373","0.005","2539.8","0.3","123","","123","","","","","","","","","5","P 1","P 1","1","","","","- C29 H24 Au2 N2 O -","- C29 H23.75 Au2 N2 O -","- C116 H95 Au8 N8 O4 -","4","4","","Seki, Tomohiro; Jin, Mingoo; Ito, Hajime","Introduction of a Biphenyl Moiety for a Solvent-Responsive Aryl Gold(I) Isocyanide Complex with Mechanical Reactivation.","Inorganic chemistry","2016","55","23","12309","12320","10.1021/acs.inorgchem.6b02107","","","0.71075","MoKα","","0.099","0.0843","","","0.2274","0.251","","","","","","1.1","","","","has coordinates","254024","2020-10-21","18:00:00",""
"4349208","14.2069","0.0014","22.8755","0.0017","14.8349","0.0011","90","0.007","95.445","0.004","90","0.004","4799.4","0.7","123","","123","","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C107 H78 Au8 N8 O -","- C107 H78 Au8 N8 O -","- C214 H156 Au16 N16 O2 -","2","0.25","","Seki, Tomohiro; Jin, Mingoo; Ito, Hajime","Introduction of a Biphenyl Moiety for a Solvent-Responsive Aryl Gold(I) Isocyanide Complex with Mechanical Reactivation.","Inorganic chemistry","2016","55","23","12309","12320","10.1021/acs.inorgchem.6b02107","","","0.71075","MoKα","","0.1184","0.086","","","0.2106","0.2474","","","","","","1.045","","","","has coordinates,has disorder","233710","2020-10-21","18:00:00",""
"4349209","14.0825","0.0019","13.9789","0.0014","21.934","0.002","90","0.009","92.577","0.006","90","0.006","4313.5","0.8","123","","123","","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","","","- C26 H18 Au2 N2 -","- C26 H18 Au2 N2 -","- C208 H144 Au16 N16 -","8","1","","Seki, Tomohiro; Jin, Mingoo; Ito, Hajime","Introduction of a Biphenyl Moiety for a Solvent-Responsive Aryl Gold(I) Isocyanide Complex with Mechanical Reactivation.","Inorganic chemistry","2016","55","23","12309","12320","10.1021/acs.inorgchem.6b02107","","","0.71075","MoKα","","0.1954","0.0925","","","0.2198","0.2856","","","","","","1.017","","","","has coordinates","233712","2020-10-21","18:00:00",""
"4349210","13.6877","0.0011","26.0965","0.0017","26.9019","0.0019","90","","90.5498","0.0019","90","","9608.9","1.2","123","","123","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C217 H162 Au16 N16 O3 -","- C217 H162 Au16 N16 O3 -","- C434 H324 Au32 N32 O6 -","2","0.5","","Seki, Tomohiro; Jin, Mingoo; Ito, Hajime","Introduction of a Biphenyl Moiety for a Solvent-Responsive Aryl Gold(I) Isocyanide Complex with Mechanical Reactivation.","Inorganic chemistry","2016","55","23","12309","12320","10.1021/acs.inorgchem.6b02107","","","0.71075","MoKα","","0.2715","0.0934","","","0.2056","0.2736","","","","","","0.903","","","","has coordinates,has disorder","233714","2020-10-21","18:00:00",""
"4349211","14.126","0.002","22.8906","0.0011","14.886","0.0006","90","","95.518","0.009","90","","4791.1","0.7","123","","123","","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C56 H45 Au4 N5 O -","- C56 H45 Au4 N5 O -","- C224 H180 Au16 N20 O4 -","4","0.5","","Seki, Tomohiro; Jin, Mingoo; Ito, Hajime","Introduction of a Biphenyl Moiety for a Solvent-Responsive Aryl Gold(I) Isocyanide Complex with Mechanical Reactivation.","Inorganic chemistry","2016","55","23","12309","12320","10.1021/acs.inorgchem.6b02107","","","0.71075","MoKα","","0.0678","0.0395","","","0.0616","0.0672","","","","","","1.011","","","","has coordinates,has disorder","233716","2020-10-21","18:00:00",""
"4349212","14.0428","0.0011","22.697","0.0014","15.0676","0.0012","90","","95.697","0.006","90","","4778.8","0.6","123","","123","","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","","","- C28.5 H20.5 Au2 N2.5 -","- C28.5 H20.5 Au2 N2.5 -","- C228 H164 Au16 N20 -","8","1","","Seki, Tomohiro; Jin, Mingoo; Ito, Hajime","Introduction of a Biphenyl Moiety for a Solvent-Responsive Aryl Gold(I) Isocyanide Complex with Mechanical Reactivation.","Inorganic chemistry","2016","55","23","12309","12320","10.1021/acs.inorgchem.6b02107","","","0.71075","MoKα","","0.1628","0.0734","","","0.1621","0.2274","","","","","","1.048","","","","has coordinates","270074","2021-10-24","17:53:43",""
"4349213","23.784","0.003","14.1842","0.0017","47.521","0.006","90","","94.466","0.005","90","","15983","3","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C2 H78 Na9 Nb14 O85 V -","- C2 Na9 Nb14 O85 V -","- C16 Na72 Nb112 O680 V8 -","8","1","","Abramov, Pavel A.; Davletgildeeva, Anastasiia T.; Moroz, Nikolay K.; Kompankov, Nikolay B.; Santiago-Schübel, Beatrix; Sokolov, Maxim N.","Cation-Dependent Self-assembly of Vanadium Polyoxoniobates.","Inorganic chemistry","2016","55","24","12807","12814","10.1021/acs.inorgchem.6b02108","","x-ray","0.71073","MoKα","","0.0918","0.0576","","","0.1383","0.1558","","","","","","1.03","","","","has coordinates","233721","2020-10-21","18:00:00",""
"4349214","16.1367","0.0007","16.1556","0.0007","26.435","0.001","75.336","0.004","81.745","0.004","60.054","0.004","5775.8","0.5","130","2","130","2","","","","","","","","6","P -1","-P 1","2","","","","- H0 K5.5 Na2 Nb24 O93 V4 -","- K5.5 Na2 Nb24 O93 V4 -","- K11 Na4 Nb48 O186 V8 -","2","1","","Abramov, Pavel A.; Davletgildeeva, Anastasiia T.; Moroz, Nikolay K.; Kompankov, Nikolay B.; Santiago-Schübel, Beatrix; Sokolov, Maxim N.","Cation-Dependent Self-assembly of Vanadium Polyoxoniobates.","Inorganic chemistry","2016","55","24","12807","12814","10.1021/acs.inorgchem.6b02108","","x-ray","0.71073","MoKα","","0.1729","0.135","","","0.3489","0.3656","","","","","","1.099","","","","has coordinates","233723","2020-10-21","18:00:00",""
"4349215","19.5228","0.0003","14.08918","0.00016","15.5331","0.00019","90","","111.071","0.0014","90","","3986.85","0.1","100","10","100","10","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C45 H59 Mg N4 O -","- C45 H59 Mg N4 O -","- C180 H236 Mg4 N16 O4 -","4","1","","Ren, Wenshan; Gu, Defa","An Azobenzenyl Anion Radical Complex of Magnesium: Synthesis, Structure, and Reactivity Studies.","Inorganic chemistry","2016","55","22","11962","11970","10.1021/acs.inorgchem.6b02114","","x-ray","1.54184","CuKα","","0.0449","0.041","","","0.1036","0.1067","","","","","","1.024","","","","has coordinates","233726","2020-10-21","18:00:00",""
"4349216","9.04403","0.00016","12.1845","0.0002","19.1417","0.0003","74.7495","0.0015","78.1","0.0015","85.118","0.0015","1990.28","0.06","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C43 H62 Mg N2 O2 S -","- C43 H62 Mg N2 O2 S -","- C86 H124 Mg2 N4 O4 S2 -","2","1","","Ren, Wenshan; Gu, Defa","An Azobenzenyl Anion Radical Complex of Magnesium: Synthesis, Structure, and Reactivity Studies.","Inorganic chemistry","2016","55","22","11962","11970","10.1021/acs.inorgchem.6b02114","","","1.54184","CuKα","","0.0681","0.0651","","","0.1705","0.1731","","","","","","1.043","","","","has coordinates,has disorder","233726","2020-10-21","18:00:00",""
"4349217","9.05626","0.00017","12.2084","0.0002","19.1962","0.0004","74.9102","0.0016","77.2349","0.0016","85.4764","0.0015","1998.04","0.07","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C43 H62 Mg N2 O2 Se -","- C43 H62 Mg N2 O2 Se -","- C86 H124 Mg2 N4 O4 Se2 -","2","1","","Ren, Wenshan; Gu, Defa","An Azobenzenyl Anion Radical Complex of Magnesium: Synthesis, Structure, and Reactivity Studies.","Inorganic chemistry","2016","55","22","11962","11970","10.1021/acs.inorgchem.6b02114","","","1.54184","CuKα","","0.0529","0.0521","","","0.1352","0.1359","","","","","","1.04","","","","has coordinates,has disorder","233726","2020-10-21","18:00:00",""
"4349218","24.5406","0.0003","13.9662","0.0001","23.0002","0.0002","90","","117.498","0.001","90","","6992.49","0.13","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C132 H198 Mg4 N8 O4 S4 -","- C132 H198 Mg4 N8 O4 S4 -","- C264 H396 Mg8 N16 O8 S8 -","2","0.5","","Ren, Wenshan; Gu, Defa","An Azobenzenyl Anion Radical Complex of Magnesium: Synthesis, Structure, and Reactivity Studies.","Inorganic chemistry","2016","55","22","11962","11970","10.1021/acs.inorgchem.6b02114","","","1.54184","CuKα","","0.0771","0.0716","","","0.1938","0.2004","","","","","","1.03","","","","has coordinates,has disorder","233726","2020-10-21","18:00:00",""
"4349219","8.67175","0.00008","14.51053","0.00013","22.1269","0.0002","90","","90","","90","","2784.27","0.04","100","10","100","10","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C29 H41 Mg N5 -","- C29 H41 Mg N5 -","- C116 H164 Mg4 N20 -","4","1","","Ren, Wenshan; Gu, Defa","An Azobenzenyl Anion Radical Complex of Magnesium: Synthesis, Structure, and Reactivity Studies.","Inorganic chemistry","2016","55","22","11962","11970","10.1021/acs.inorgchem.6b02114","","x-ray","1.54184","CuKα","","0.0344","0.0336","","","0.0886","0.0892","","","","","","1.051","","","","has coordinates","233726","2020-10-21","18:00:00",""
"4349220","21.6265","0.0005","15.0148","0.0002","23.805","0.0005","90","","118.58","0.003","90","","6788","0.3","100","10","100","10","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C66 H100 Mg2 N8 Si2 -","- C66 H100 Mg2 N8 Si2 -","- C264 H400 Mg8 N32 Si8 -","4","0.5","","Ren, Wenshan; Gu, Defa","An Azobenzenyl Anion Radical Complex of Magnesium: Synthesis, Structure, and Reactivity Studies.","Inorganic chemistry","2016","55","22","11962","11970","10.1021/acs.inorgchem.6b02114","","x-ray","1.54184","CuKα","","0.0411","0.0388","","","0.102","0.1039","","","","","","1.029","","","","has coordinates","233726","2020-10-21","18:00:00",""
"4349221","32.843","0.006","21.455","0.004","19.126","0.004","90","","90","","90","","13477","5","100","","100","","","","","","","","","4","P n n a","-P 2a 2bc","52","","","","- K11 O128 P5 W30 -","- K11 O128 P5 W30 -","- K44 O512 P20 W120 -","4","0.5","","Hayashi, Akio; Ota, Hiromi; López, Xavier; Hiyoshi, Norihito; Tsunoji, Nao; Sano, Tsuneji; Sadakane, Masahiro","Encapsulation of Two Potassium Cations in Preyssler-Type Phosphotungstates: Preparation, Structural Characterization, Thermal Stability, Activity as an Acid Catalyst, and HAADF-STEM Images.","Inorganic chemistry","2016","55","21","11583","11592","10.1021/acs.inorgchem.6b02116","","","0.71075","MoKα","","0.1138","0.1038","","","0.2165","0.2224","","","","","","1.218","","","","has coordinates","233728","2020-10-21","18:00:00",""
"4349222","22.601","0.009","30.731","0.013","28.208","0.012","90","","94.47","0.007","90","","19532","14","100","","100","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C40 H120 K2 O130 P5 S20 W30 -","- C40 K2 O130 P5 S20 W30 -","- C160 K8 O520 P20 S80 W120 -","4","0.5","","Hayashi, Akio; Ota, Hiromi; López, Xavier; Hiyoshi, Norihito; Tsunoji, Nao; Sano, Tsuneji; Sadakane, Masahiro","Encapsulation of Two Potassium Cations in Preyssler-Type Phosphotungstates: Preparation, Structural Characterization, Thermal Stability, Activity as an Acid Catalyst, and HAADF-STEM Images.","Inorganic chemistry","2016","55","21","11583","11592","10.1021/acs.inorgchem.6b02116","","","0.71075","MoKα","","0.0466","0.04","","","0.0915","0.0952","","","","","","1.066","","","","has coordinates,has disorder","233730","2020-10-21","18:00:00",""
"4349223","12.9902","0.0002","12.9902","0.0002","13.8863","0.0004","90","","90","","120","","2029.31","0.07","296","2","296","2","","","","","","","","5","R 3 2 :H","R 3 2""","155","AXZ-2(I)","","","- C12 H27 Ag3 I6 N4 -","- C12 H27 Ag3 I6 N4 -","- C36 H81 Ag9 I18 N12 -","3","0.166667","","Zhang, Ren-Chun; Wang, Jun-Jie; Yuan, Bai-Qing; Zhang, Jing-Chao; Zhou, Ling; Wang, Hai-Bin; Zhang, Dao-Jun; An, Yong-Lin","Syntheses and Characterization of Chiral Zeolitic Silver Halides Based on 3-Rings.","Inorganic chemistry","2016","55","21","11593","11599","10.1021/acs.inorgchem.6b02121","","","0.71073","MoKα","","0.0191","0.0189","","","0.0465","0.0466","","","","","","1.034","","","","has coordinates","233732","2020-10-21","18:00:00",""
"4349224","13.0556","0.0002","13.0556","0.0002","14.1761","0.0004","90","","90","","120","","2092.58","0.07","296","2","296","2","","","","","","","","5","R 3 2 :H","R 3 2""","155","AXZ-3(I)","","","- C12 H25 Ag4 I6 N4 -","- C12 H25 Ag4 I6 N4 -","- C36 H75 Ag12 I18 N12 -","3","0.166667","","Zhang, Ren-Chun; Wang, Jun-Jie; Yuan, Bai-Qing; Zhang, Jing-Chao; Zhou, Ling; Wang, Hai-Bin; Zhang, Dao-Jun; An, Yong-Lin","Syntheses and Characterization of Chiral Zeolitic Silver Halides Based on 3-Rings.","Inorganic chemistry","2016","55","21","11593","11599","10.1021/acs.inorgchem.6b02121","","","0.71073","MoKα","","0.0574","0.0572","","","0.1536","0.1538","","","","","","1.013","","","","has coordinates","233734","2020-10-21","18:00:00",""
"4349225","13.0088","0.0004","13.0088","0.0004","13.9137","0.001","90","","90","","120","","2039.14","0.17","296","2","296","2","","","","","","","","5","R 3 2 :H","R 3 2""","155","AXZ-2(I)","","","- C12 H27 Ag3 I6 N4 -","- C12 H27 Ag3 I6 N4 -","- C36 H81 Ag9 I18 N12 -","3","0.166667","","Zhang, Ren-Chun; Wang, Jun-Jie; Yuan, Bai-Qing; Zhang, Jing-Chao; Zhou, Ling; Wang, Hai-Bin; Zhang, Dao-Jun; An, Yong-Lin","Syntheses and Characterization of Chiral Zeolitic Silver Halides Based on 3-Rings.","Inorganic chemistry","2016","55","21","11593","11599","10.1021/acs.inorgchem.6b02121","","","0.71073","MoKα","","0.0211","0.0205","","","0.0504","0.0509","","","","","","1.065","","","","has coordinates","233736","2020-10-21","18:00:00",""
"4349226","12.3313","0.0003","12.3313","0.0003","13.5163","0.0006","90","","90","","120","","1779.94","0.1","296","2","296","2","","","","","","","","5","R 3 2 :H","R 3 2""","155","AXZ-1(Br)","","","- C12 H27 Ag3 Br6 N4 -","- C12 H27 Ag3 Br6 N4 -","- C36 H81 Ag9 Br18 N12 -","3","0.166667","","Zhang, Ren-Chun; Wang, Jun-Jie; Yuan, Bai-Qing; Zhang, Jing-Chao; Zhou, Ling; Wang, Hai-Bin; Zhang, Dao-Jun; An, Yong-Lin","Syntheses and Characterization of Chiral Zeolitic Silver Halides Based on 3-Rings.","Inorganic chemistry","2016","55","21","11593","11599","10.1021/acs.inorgchem.6b02121","","","0.71073","MoKα","","0.0255","0.0245","","","0.0566","0.0569","","","","","","1.048","","","","has coordinates","233737","2020-10-21","18:00:00",""
"4349227","13.0576","0.0003","13.0576","0.0003","14.1692","0.0008","90","","90","","120","","2092.2","0.14","296","2","296","2","","","","","","","","5","R 3 2 :H","R 3 2""","155","AXZ-3(I)","","","- C12 H25 Ag4 I6 N4 -","- C12 H25 Ag4 I6 N4 -","- C36 H75 Ag12 I18 N12 -","3","0.166667","","Zhang, Ren-Chun; Wang, Jun-Jie; Yuan, Bai-Qing; Zhang, Jing-Chao; Zhou, Ling; Wang, Hai-Bin; Zhang, Dao-Jun; An, Yong-Lin","Syntheses and Characterization of Chiral Zeolitic Silver Halides Based on 3-Rings.","Inorganic chemistry","2016","55","21","11593","11599","10.1021/acs.inorgchem.6b02121","","","0.71073","MoKα","","0.0349","0.0336","","","0.1138","0.125","","","","","","1.064","","","","has coordinates","233739","2020-10-21","18:00:00",""
"4349228","12.3368","0.0009","12.3368","0.0009","13.5135","0.0018","90","","90","","120","","1781.2","0.3","296","2","296","2","","","","","","","","5","R 3 2 :H","R 3 2""","155","AXZ-1(Br)","","","- C12 H27 Ag3 Br6 N4 -","- C12 H27 Ag3 Br6 N4 -","- C36 H81 Ag9 Br18 N12 -","3","0.166667","","Zhang, Ren-Chun; Wang, Jun-Jie; Yuan, Bai-Qing; Zhang, Jing-Chao; Zhou, Ling; Wang, Hai-Bin; Zhang, Dao-Jun; An, Yong-Lin","Syntheses and Characterization of Chiral Zeolitic Silver Halides Based on 3-Rings.","Inorganic chemistry","2016","55","21","11593","11599","10.1021/acs.inorgchem.6b02121","","","0.71073","MoKα","","0.0219","0.0201","","","0.0483","0.0488","","","","","","1.03","","","","has coordinates","233740","2020-10-21","18:00:00",""
"4349229","10.0857","0.0003","10.0857","0.0003","7.2134","0.0004","90","","90","","120","","635.45","0.04","296","2","296","2","","","","","","","","4","P 3 1 c","P 3 -2c","159","","","","- C6 H14 N5 O10 -","- C6 H17 N5 O10 -","- C12 H34 N10 O20 -","2","0.333333","","Zhang, Ren-Chun; Wang, Jun-Jie; Yuan, Bai-Qing; Zhang, Jing-Chao; Zhou, Ling; Wang, Hai-Bin; Zhang, Dao-Jun; An, Yong-Lin","Syntheses and Characterization of Chiral Zeolitic Silver Halides Based on 3-Rings.","Inorganic chemistry","2016","55","21","11593","11599","10.1021/acs.inorgchem.6b02121","","","0.71073","MoKα","","0.0367","0.0362","","","0.0893","0.09","","","","","","1.061","","","","has coordinates","233743","2020-10-21","18:00:00",""
"4349230","10.3198","0.0004","19.0859","0.0007","22.2086","0.0009","90","","100.516","0.002","90","","4300.8","0.3","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","OReCl2(BDI)(DMAP)","","","- C36 H51 Cl2 N4 O Re -","- C36 H51 Cl2 N4 O Re -","- C144 H204 Cl8 N16 O4 Re4 -","4","1","","Lohrey, Trevor D.; Bergman, Robert G.; Arnold, John","Oxygen Atom Transfer and Intramolecular Nitrene Transfer in a Rhenium β-Diketiminate Complex.","Inorganic chemistry","2016","55","22","11993","12000","10.1021/acs.inorgchem.6b02122","","","0.71073","MoKα","","0.0836","0.0417","","","0.0778","0.0912","","","","","","1.021","","","","has coordinates","233745","2020-10-21","18:00:00",""
"4349231","9.8643","0.0007","22.9718","0.0019","17.4389","0.0014","90","","93.44","0.004","90","","3944.5","0.5","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","OReCl2(BDI)(PEt3)","","","- C38 H63 Cl2 N2 O P Re -","- C38 H63 Cl2 N2 O P Re -","- C152 H252 Cl8 N8 O4 P4 Re4 -","4","1","","Lohrey, Trevor D.; Bergman, Robert G.; Arnold, John","Oxygen Atom Transfer and Intramolecular Nitrene Transfer in a Rhenium β-Diketiminate Complex.","Inorganic chemistry","2016","55","22","11993","12000","10.1021/acs.inorgchem.6b02122","","","0.71073","MoKα","","0.0544","0.0378","","","0.0808","0.0894","","","","","","1.029","","","","has coordinates","233746","2020-10-21","18:00:00",""
"4349232","8.874","0.004","18.951","0.009","20.467","0.009","90","","90","","90","","3442","3","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","OReCl2(BDI)","","","- C33 H51 Cl2 N2 O2 Re -","- C33 H51 Cl2 N2 O2 Re -","- C132 H204 Cl8 N8 O8 Re4 -","4","1","","Lohrey, Trevor D.; Bergman, Robert G.; Arnold, John","Oxygen Atom Transfer and Intramolecular Nitrene Transfer in a Rhenium β-Diketiminate Complex.","Inorganic chemistry","2016","55","22","11993","12000","10.1021/acs.inorgchem.6b02122","","","0.7749","synchrotron","","0.028","0.0255","","","0.0583","0.0591","","","","","","1.071","","","","has coordinates","288178","2023-12-08","09:51:07",""
"4349233","12.029","0.002","14.262","0.003","22.8","0.005","107.39","0.03","105.24","0.03","90.02","0.03","3588.2","1.5","100","2","100","2","","","","","","","","6","P -1","-P 1","2","(DippN)ReCl2(MAD)(PEt3)","","","- C35 H56 Cl2 N2 P Re -","- C35 H56 Cl2 N2 P Re -","- C140 H224 Cl8 N8 P4 Re4 -","4","2","","Lohrey, Trevor D.; Bergman, Robert G.; Arnold, John","Oxygen Atom Transfer and Intramolecular Nitrene Transfer in a Rhenium β-Diketiminate Complex.","Inorganic chemistry","2016","55","22","11993","12000","10.1021/acs.inorgchem.6b02122","","","0.7749","synchrotron","","0.0515","0.0495","","","0.1494","0.1524","","","","","","1.16","","","","has coordinates","233749","2020-10-21","18:00:00",""
"4349234","10.4422","0.001","6.859","0.0007","29.249","0.003","90","","95.909","0.002","90","","2083.8","0.4","100","2","100.02","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C27 H15 N3 O3 -","- C27 H15 N3 O3 -","- C108 H60 N12 O12 -","4","1","","Hawes, Chris S.; Byrne, Kevin; Schmitt, Wolfgang; Gunnlaugsson, Thorfinnur","Flexible Porous Coordination Polymers from Divergent Photoluminescent 4-Oxo-1,8-naphthalimide Ligands.","Inorganic chemistry","2016","55","21","11570","11582","10.1021/acs.inorgchem.6b02137","","","0.71073","MoKα","","0.1169","0.0515","","","0.1001","0.1203","","","","","","1.005","","","","has coordinates","233751","2020-10-21","18:00:00",""
"4349235","4.4466","0.0004","39.39","0.003","31.168","0.002","90","","90.755","0.002","90","","5458.7","0.7","100","2","100.02","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C54 H30 Ag B F4 N6 O6 -","- C54 H30 Ag B F4 N6 O6 -","- C216 H120 Ag4 B4 F16 N24 O24 -","4","0.5","","Hawes, Chris S.; Byrne, Kevin; Schmitt, Wolfgang; Gunnlaugsson, Thorfinnur","Flexible Porous Coordination Polymers from Divergent Photoluminescent 4-Oxo-1,8-naphthalimide Ligands.","Inorganic chemistry","2016","55","21","11570","11582","10.1021/acs.inorgchem.6b02137","","","0.71073","MoKα","","0.1148","0.0764","","","0.2132","0.2352","","","","","","1.078","","","","has coordinates,has disorder","233751","2020-10-21","18:00:00",""
"4349236","6.8306","0.0009","10.792","0.0013","20.523","0.003","88.621","0.003","88.801","0.003","80.851","0.003","1493","0.3","100","2","100.02","","","","","","","","","5","P -1","-P 1","2","","","","- C33 H31 Cu N3 O10 -","- C33 H31 Cu N3 O10 -","- C66 H62 Cu2 N6 O20 -","2","1","","Hawes, Chris S.; Byrne, Kevin; Schmitt, Wolfgang; Gunnlaugsson, Thorfinnur","Flexible Porous Coordination Polymers from Divergent Photoluminescent 4-Oxo-1,8-naphthalimide Ligands.","Inorganic chemistry","2016","55","21","11570","11582","10.1021/acs.inorgchem.6b02137","","","0.71073","MoKα","","0.1177","0.0516","","","0.1037","0.1229","","","","","","0.982","","","","has coordinates,has disorder","233751","2020-10-21","18:00:00",""
"4349237","37.4447","0.001","7.347","0.0002","23.1978","0.0006","90","","90","","90","","6381.9","0.3","100","2","100","","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C57 H37 Cd2 N3 O17 -","- C57 H37 Cd2 N3 O17 -","- C228 H148 Cd8 N12 O68 -","4","0.5","","Hawes, Chris S.; Byrne, Kevin; Schmitt, Wolfgang; Gunnlaugsson, Thorfinnur","Flexible Porous Coordination Polymers from Divergent Photoluminescent 4-Oxo-1,8-naphthalimide Ligands.","Inorganic chemistry","2016","55","21","11570","11582","10.1021/acs.inorgchem.6b02137","","","0.71073","MoKα","","0.1553","0.1183","","","0.3186","0.3496","","","","","","1.075","","","","has coordinates","233751","2020-10-21","18:00:00",""
"4349238","40.5139","0.0015","7.2658","0.0003","18.5724","0.0008","90","","90","","90","","5467.1","0.4","100","2","100.01","","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C29 H18 Cd N2 O8 -","- C29 H18 Cd N2 O8 -","- C232 H144 Cd8 N16 O64 -","8","1","","Hawes, Chris S.; Byrne, Kevin; Schmitt, Wolfgang; Gunnlaugsson, Thorfinnur","Flexible Porous Coordination Polymers from Divergent Photoluminescent 4-Oxo-1,8-naphthalimide Ligands.","Inorganic chemistry","2016","55","21","11570","11582","10.1021/acs.inorgchem.6b02137","","","0.71073","MoKα","","0.1847","0.0891","","","0.1929","0.2357","","","","","","1.023","","","","has coordinates,has disorder","233751","2020-10-21","18:00:00",""
"4349239","14.525","0.007","40.69","0.02","30.898","0.015","90","","101.498","0.008","90","","17895","15","273","2","273.15","","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C132 H164 Cd4 Cu4 N12 O28 -","- C132 H164 Cd4 Cu4 N12 O28 -","- C528 H656 Cd16 Cu16 N48 O112 -","4","1","","Liu, Yan; Li, Zijian; Yuan, Guozan; Xia, Qingchun; Yuan, Chen; Cui, Yong","Chiral Cu(salen)-Based Metal-Organic Framework for Heterogeneously Catalyzed Aziridination and Amination of Olefins.","Inorganic chemistry","2016","55","24","12500","12503","10.1021/acs.inorgchem.6b02151","","","0.71073","MoKα","","0.2018","0.0794","","","0.1636","0.2236","","","","","","0.897","","","","has coordinates","233754","2020-10-21","18:00:00",""
"4349240","11.7544","0.0005","14.9885","0.0006","23.5529","0.0008","90","","93.7293","0.0012","90","","4140.8","0.3","90","","90","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C32 H49 Cl5 Co2 N12 O2 -","- C32 H49 Cl5 Co2 N12 O2 -","- C128 H196 Cl20 Co8 N48 O8 -","4","1","","Tsitovich, Pavel B.; Cox, Jordan M.; Spernyak, Joseph A.; Morrow, Janet R.","Gear Up for a pH Shift: A Responsive Iron(II) 2-Amino-6-picolyl-Appended Macrocyclic paraCEST Agent That Protonates at a Pendent Group.","Inorganic chemistry","2016","55","22","12001","12010","10.1021/acs.inorgchem.6b02159","","x-ray","0.71073","MoKα","","0.0694","0.0524","","","0.1368","0.144","","","","","","1.055","","","","has coordinates","233756","2020-10-21","18:00:00",""
"4349241","37.916","0.013","21.039","0.007","28.447","0.01","90","","113.692","0.004","90","","20780","12","296","2","296","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C91 H158 Co12 Mo12 N21 O132 P23 -","- C91 H101 Co12 Mo12 N21 O132 P23 -","- C364 H404 Co48 Mo48 N84 O528 P92 -","4","0.5","","Dong, Yayu; Hu, Gonghao; Miao, Hao; He, Xingxiang; Fang, Min; Xu, Yan","An Unprecedented M-O Cluster Constructed from Nanosized {[C<sub>5</sub>NH<sub>5</sub>]<sub>9</sub>[H<sub>31</sub>Mo<sup>V</sup><sub>12</sub>O<sub>24</sub>Co<sup>II</sup><sub>12</sub>(PO<sub>4</sub>)<sub>23</sub>(H<sub>2</sub>O)<sub>4</sub>]}<sup>2-</sup> Anions Exhibiting Interesting Nonlinear-Optical Properties.","Inorganic chemistry","2016","55","22","11621","11625","10.1021/acs.inorgchem.6b02160","","","0.71073","MoKα","","0.0694","0.0486","","","0.1575","0.1704","","","","","","1.094","","","","has coordinates,has disorder","233759","2020-10-21","18:00:00",""
"4349242","9.338","0.0003","10.1722","0.0004","11.1302","0.0004","76.672","0.002","72.971","0.002","78.55","0.002","973.86","0.06","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C25 H20 N P -","- C25 H20 N P -","- C50 H40 N2 P2 -","2","1","","Arlt, Sören; Harloff, Jörg; Schulz, Axel; Stoffers, Alrik; Villinger, Alexander","Cyanido Antimonate(III) and Bismuthate(III) Anions.","Inorganic chemistry","2016","55","23","12321","12328","10.1021/acs.inorgchem.6b02174","","","0.71073","MoKα","","0.069","0.0462","","","0.1105","0.1235","","","","","","1.036","","","","has coordinates","233762","2020-10-21","18:00:00",""
"4349243","27.1852","0.0009","14.1411","0.0005","18.5024","0.0005","90","","91.721","0.002","90","","7109.6","0.4","123","2","123","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C41 H36 N4 P2 -","- C41 H36 N4 P2 -","- C328 H288 N32 P16 -","8","2","","Arlt, Sören; Harloff, Jörg; Schulz, Axel; Stoffers, Alrik; Villinger, Alexander","Cyanido Antimonate(III) and Bismuthate(III) Anions.","Inorganic chemistry","2016","55","23","12321","12328","10.1021/acs.inorgchem.6b02174","","","0.71073","MoKα","","0.0886","0.0491","","","0.1131","0.1347","","","","","","1.011","","","","has coordinates,has disorder","233762","2020-10-21","18:00:00",""
"4349244","14.6941","0.0006","10.7497","0.0004","22.1216","0.0008","90","","96.391","0.002","90","","3472.5","0.2","123","2","123","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C44 H38 N2 P2 -","- C44 H38 N2.004 P2 -","- C176 H152 N8.016 P8 -","4","0.5","","Arlt, Sören; Harloff, Jörg; Schulz, Axel; Stoffers, Alrik; Villinger, Alexander","Cyanido Antimonate(III) and Bismuthate(III) Anions.","Inorganic chemistry","2016","55","23","12321","12328","10.1021/acs.inorgchem.6b02174","","","0.71073","MoKα","","0.0527","0.0412","","","0.109","0.1186","","","","","","1.044","","","","has coordinates,has disorder","233762","2020-10-21","18:00:00",""
"4349245","8.8565","0.0004","21.3774","0.0009","24.1456","0.0009","90","","97.286","0.002","90","","4534.5","0.3","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C53 H40 N5 P2 Sb -","- C53 H40 N5 P2 Sb -","- C212 H160 N20 P8 Sb4 -","4","1","","Arlt, Sören; Harloff, Jörg; Schulz, Axel; Stoffers, Alrik; Villinger, Alexander","Cyanido Antimonate(III) and Bismuthate(III) Anions.","Inorganic chemistry","2016","55","23","12321","12328","10.1021/acs.inorgchem.6b02174","","","0.71073","MoKα","","0.1287","0.0496","","","0.0736","0.0935","","","","","","0.993","","","","has coordinates","233762","2020-10-21","18:00:00",""
"4349246","16.6501","0.0008","19.7649","0.0009","19.965","0.0009","90","","90","","90","","6570.2","0.5","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C77 H60 N7 P4 Sb -","- C77 H60 N7 P4 Sb -","- C308 H240 N28 P16 Sb4 -","4","0.5","","Arlt, Sören; Harloff, Jörg; Schulz, Axel; Stoffers, Alrik; Villinger, Alexander","Cyanido Antimonate(III) and Bismuthate(III) Anions.","Inorganic chemistry","2016","55","23","12321","12328","10.1021/acs.inorgchem.6b02174","","","0.71073","MoKα","","0.1027","0.0495","","","0.1092","0.1364","","","","","","1.015","","","","has coordinates,has disorder","233762","2020-10-21","18:00:00",""
"4349247","14.217","0.0005","15.1544","0.0005","17.7507","0.0005","96.274","0.002","112.127","0.001","109.475","0.002","3217","0.19","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C78 H60 Bi N6 P3 -","- C78 H60 Bi N6 P3 -","- C156 H120 Bi2 N12 P6 -","2","1","","Arlt, Sören; Harloff, Jörg; Schulz, Axel; Stoffers, Alrik; Villinger, Alexander","Cyanido Antimonate(III) and Bismuthate(III) Anions.","Inorganic chemistry","2016","55","23","12321","12328","10.1021/acs.inorgchem.6b02174","","","0.71073","MoKα","","0.0403","0.0281","","","0.0545","0.0578","","","","","","1.028","","","","has coordinates,has disorder","233762","2020-10-21","18:00:00",""
"4349248","9.0391","0.0005","56.828","0.003","13.9215","0.0007","90","","108.905","0.003","90","","6765.4","0.6","123","2","123","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C79 H63 Bi N8 P4 -","- C79 H63 Bi N8 P4 -","- C316 H252 Bi4 N32 P16 -","4","1","","Arlt, Sören; Harloff, Jörg; Schulz, Axel; Stoffers, Alrik; Villinger, Alexander","Cyanido Antimonate(III) and Bismuthate(III) Anions.","Inorganic chemistry","2016","55","23","12321","12328","10.1021/acs.inorgchem.6b02174","","","0.71073","MoKα","","0.078","0.0506","","","0.0734","0.0838","","","","","","0.935","","","","has coordinates","233762","2020-10-21","18:00:00",""
"4349249","16.66","0.0004","19.7295","0.0005","19.9862","0.0005","90","","90","","90","","6569.3","0.3","123","2","123","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C77 H60 Bi N7 P4 -","- C77 H60 Bi N7 P4 -","- C308 H240 Bi4 N28 P16 -","4","0.5","","Arlt, Sören; Harloff, Jörg; Schulz, Axel; Stoffers, Alrik; Villinger, Alexander","Cyanido Antimonate(III) and Bismuthate(III) Anions.","Inorganic chemistry","2016","55","23","12321","12328","10.1021/acs.inorgchem.6b02174","","","0.71073","MoKα","","0.0875","0.0442","","","0.075","0.0871","","","","","","1.066","","","","has coordinates","233762","2020-10-21","18:00:00",""
"4349250","19.0495","0.0007","20.7536","0.0008","24.2348","0.0008","90","","90","","90","","9581.1","0.6","123","2","123","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C114 H90 Bi N9 P6 -","- C114 H90 Bi N9 P6 -","- C456 H360 Bi4 N36 P24 -","4","1","","Arlt, Sören; Harloff, Jörg; Schulz, Axel; Stoffers, Alrik; Villinger, Alexander","Cyanido Antimonate(III) and Bismuthate(III) Anions.","Inorganic chemistry","2016","55","23","12321","12328","10.1021/acs.inorgchem.6b02174","","","0.71073","MoKα","","0.0939","0.0489","","","0.0887","0.1037","","","","","","1.008","","","","has coordinates","233762","2020-10-21","18:00:00",""
"4349253","12.1405","0.0004","18.8977","0.0007","13.1677","0.0005","90","","90","","90","","3021.03","0.19","173","2","173","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C32 H32 F6 N4 O4 Ru -","- C32 H18 F6 N4 O4 Ru -","- C128 H72 F24 N16 O16 Ru4 -","4","1","","Shaffer, David W.; Xie, Yan; Szalda, David J.; Concepcion, Javier J.","Manipulating the Rate-Limiting Step in Water Oxidation Catalysis by Ruthenium Bipyridine-Dicarboxylate Complexes.","Inorganic chemistry","2016","55","22","12024","12035","10.1021/acs.inorgchem.6b02193","","","0.71073","MoKα","","0.0544","0.041","","","0.105","0.1094","","","","","","1.074","","","","has coordinates","233767","2020-10-21","18:00:00",""
"4349254","14.0455","0.0011","18.5907","0.0011","12.5395","0.0007","90","","118.838","0.003","90","","2868.2","0.3","250","2","250","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C32 H18 F6 N4 O4 Ru -","- C32 H18 F6 N4 O4 Ru -","- C128 H72 F24 N16 O16 Ru4 -","4","1","","Shaffer, David W.; Xie, Yan; Szalda, David J.; Concepcion, Javier J.","Manipulating the Rate-Limiting Step in Water Oxidation Catalysis by Ruthenium Bipyridine-Dicarboxylate Complexes.","Inorganic chemistry","2016","55","22","12024","12035","10.1021/acs.inorgchem.6b02193","","","0.71073","MoKα","","0.1308","0.062","","","0.1011","0.1153","","","","","","0.973","","","","has coordinates","233769","2020-10-21","18:00:00",""
"4349255","15.576","0.002","9.2765","0.0014","14.088","0.003","90","","117.847","0.002","90","","1799.9","0.5","150","2","150","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C16 H12 Br Cd N3 S3 -","- C16 H12 Br Cd N3 S3 -","- C64 H48 Br4 Cd4 N12 S12 -","4","1","","Chakrabarti, Neena; Ruccolo, Serge; Parkin, Gerard","Cadmium Compounds with an [N<sub>3</sub>C] Atrane Motif: Evidence for the Generation of a Cadmium Hydride Species.","Inorganic chemistry","2016","55","23","12105","12109","10.1021/acs.inorgchem.6b02196","","","0.71073","MoKα","","0.048","0.0313","","","0.0582","0.0633","","","","","","0.958","","","","has coordinates,has disorder","233770","2020-10-21","18:00:00",""
"4349256","15.9718","0.0015","9.0439","0.0008","14.831","0.002","90","","120.205","0.0012","90","","1851.4","0.3","150","2","150","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C17 H13 Cd N3 O2 S3 -","- C17 H13 Cd N3 O2 S3 -","- C68 H52 Cd4 N12 O8 S12 -","4","1","","Chakrabarti, Neena; Ruccolo, Serge; Parkin, Gerard","Cadmium Compounds with an [N<sub>3</sub>C] Atrane Motif: Evidence for the Generation of a Cadmium Hydride Species.","Inorganic chemistry","2016","55","23","12105","12109","10.1021/acs.inorgchem.6b02196","","","0.71073","MoKα","","0.0674","0.041","","","0.1046","0.1201","","","","","","1.041","","","","has coordinates,has disorder","233772","2020-10-21","18:00:00",""
"4349257","31.79","0.008","10.148","0.003","13.907","0.004","90","","111.394","0.004","90","","4177","2","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C40 H30 Cd2 N8 O2 S6 -","- C40 H30 Cd2 N8 O2 S6 -","- C160 H120 Cd8 N32 O8 S24 -","4","0.5","","Chakrabarti, Neena; Ruccolo, Serge; Parkin, Gerard","Cadmium Compounds with an [N<sub>3</sub>C] Atrane Motif: Evidence for the Generation of a Cadmium Hydride Species.","Inorganic chemistry","2016","55","23","12105","12109","10.1021/acs.inorgchem.6b02196","","","0.71073","MoKα","","0.0747","0.0471","","","0.1174","0.1323","","","","","","1.039","","","","has coordinates","233773","2020-10-21","18:00:00",""
"4349258","9.217","0.003","14.243","0.005","14.33","0.005","90","","92.782","0.005","90","","1879","1.1","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C16 H12 Cd I N3 S3 -","- C16 H12 Cd I N3 S3 -","- C64 H48 Cd4 I4 N12 S12 -","4","1","","Chakrabarti, Neena; Ruccolo, Serge; Parkin, Gerard","Cadmium Compounds with an [N<sub>3</sub>C] Atrane Motif: Evidence for the Generation of a Cadmium Hydride Species.","Inorganic chemistry","2016","55","23","12105","12109","10.1021/acs.inorgchem.6b02196","","","0.71073","MoKα","","0.107","0.0757","","","0.2182","0.2389","","","","","","1.023","","","","has coordinates,has disorder","233775","2020-10-21","18:00:00",""
"4349259","13.4871","0.0014","14.356","0.0015","15.1815","0.0016","74.481","0.002","73.363","0.002","87.447","0.002","2712.1","0.5","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C22 H30 Cd N4 S3 Si2 -","- C22 H30 Cd N4 S3 Si2 -","- C88 H120 Cd4 N16 S12 Si8 -","4","2","","Chakrabarti, Neena; Ruccolo, Serge; Parkin, Gerard","Cadmium Compounds with an [N<sub>3</sub>C] Atrane Motif: Evidence for the Generation of a Cadmium Hydride Species.","Inorganic chemistry","2016","55","23","12105","12109","10.1021/acs.inorgchem.6b02196","","","0.71073","MoKα","","0.2001","0.0622","","","0.0721","0.1017","","","","","","0.901","","","","has coordinates","233777","2020-10-21","18:00:00",""
"4349260","15.429","0.003","9.262","0.0018","14.154","0.003","90","","117.813","0.004","90","","1789","0.6","150","2","150","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C16 H12 Cd Cl N3 S3 -","- C16 H12 Cd Cl N3 S3 -","- C64 H48 Cd4 Cl4 N12 S12 -","4","1","","Chakrabarti, Neena; Ruccolo, Serge; Parkin, Gerard","Cadmium Compounds with an [N<sub>3</sub>C] Atrane Motif: Evidence for the Generation of a Cadmium Hydride Species.","Inorganic chemistry","2016","55","23","12105","12109","10.1021/acs.inorgchem.6b02196","","","0.71073","MoKα","","0.0403","0.0307","","","0.0699","0.0757","","","","","","0.866","","","","has coordinates,has disorder","233778","2020-10-21","18:00:00",""
"4349261","9.78","0.004","11.925","0.005","16.401","0.006","69.745","0.013","74.755","0.009","67.968","0.01","1643.9","1.1","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C62 H66 Cd2 N6 O2 S6 Si2 -","- C62 H66 Cd2 N6 O2 S6 Si2 -","- C62 H66 Cd2 N6 O2 S6 Si2 -","1","0.5","","Chakrabarti, Neena; Ruccolo, Serge; Parkin, Gerard","Cadmium Compounds with an [N<sub>3</sub>C] Atrane Motif: Evidence for the Generation of a Cadmium Hydride Species.","Inorganic chemistry","2016","55","23","12105","12109","10.1021/acs.inorgchem.6b02196","","","0.71073","MoKα","","0.1452","0.0622","","","0.0944","0.1168","","","","","","0.959","","","","has coordinates","233780","2020-10-21","18:00:00",""
"4349262","12.8867","0.0014","12.8867","0.0014","12.3936","0.0016","90","","90","","120","","1782.4","0.4","150","2","150","2","","","","","","","","7","P 3 1 c","P 3 -2c","159","","","","- C40 H33 Cd N3 O S3 Si -","- C39.9994 H32.9994 Cd N3 O S3 Si -","- C79.9988 H65.9988 Cd2 N6 O2 S6 Si2 -","2","0.333333","","Chakrabarti, Neena; Ruccolo, Serge; Parkin, Gerard","Cadmium Compounds with an [N<sub>3</sub>C] Atrane Motif: Evidence for the Generation of a Cadmium Hydride Species.","Inorganic chemistry","2016","55","23","12105","12109","10.1021/acs.inorgchem.6b02196","","","0.71073","MoKα","","0.0454","0.0343","","","0.0758","0.0807","","","","","","1.036","","","","has coordinates,has disorder","233781","2020-10-21","18:00:00",""
"4349263","8.801","0.003","15.225","0.006","14.604","0.006","90","","99.722","0.007","90","","1928.8","1.3","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C18 H15 Cd N3 O2 S3 -","- C18 H15 Cd N3 O2 S3 -","- C72 H60 Cd4 N12 O8 S12 -","4","1","","Chakrabarti, Neena; Ruccolo, Serge; Parkin, Gerard","Cadmium Compounds with an [N<sub>3</sub>C] Atrane Motif: Evidence for the Generation of a Cadmium Hydride Species.","Inorganic chemistry","2016","55","23","12105","12109","10.1021/acs.inorgchem.6b02196","","","0.71073","MoKα","","0.1857","0.0759","","","0.106","0.1357","","","","","","1.01","","","","has coordinates","233783","2020-10-21","18:00:00",""
"4349264","10.3972","0.0005","29.1999","0.0015","10.9983","0.0006","90","","95.057","0.005","90","","3326.1","0.3","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C34 H29 Cl N8 O5 Ru -","- C34 H29 Cl N8 O5 Ru -","- C136 H116 Cl4 N32 O20 Ru4 -","4","1","","Ghosh, Prabir; Banerjee, Soumyodip; Lahiri, Goutam Kumar","Ruthenium Derivatives of in Situ Generated Redox-Active 1,2-Dinitrosobenzene and 2-Nitrosoanilido. Diverse Structural and Electronic Forms.","Inorganic chemistry","2016","55","24","12832","12843","10.1021/acs.inorgchem.6b02197","","","0.71073","MoKα","","0.1009","0.0764","","","0.1713","0.1916","","","","","","1.062","","","","has coordinates","233785","2020-10-21","18:00:00",""
"4349265","10.4299","0.0003","13.0194","0.0003","27.5903","0.001","90","","96.489","0.003","90","","3722.51","0.19","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C34 H26 Cl5 N8 O7 Ru -","- C34 H26 Cl5 N8 O7 Ru -","- C136 H104 Cl20 N32 O28 Ru4 -","4","1","","Ghosh, Prabir; Banerjee, Soumyodip; Lahiri, Goutam Kumar","Ruthenium Derivatives of in Situ Generated Redox-Active 1,2-Dinitrosobenzene and 2-Nitrosoanilido. Diverse Structural and Electronic Forms.","Inorganic chemistry","2016","55","24","12832","12843","10.1021/acs.inorgchem.6b02197","","","0.71073","MoKα","","0.0628","0.05","","","0.1182","0.128","","","","","","0.995","","","","has coordinates","233787","2020-10-21","18:00:00",""
"4349266","11.9135","0.0006","11.2559","0.0008","48.174","0.002","90","","90","","90","","6460","0.6","150","2","150","2","","","","","","","","6","P b c m","-P 2c 2b","57","","","","- C68 H56 Cl N16 O8 Ru2 -","- C68 H56 Cl N16 O8 Ru2 -","- C272 H224 Cl4 N64 O32 Ru8 -","4","0.5","","Ghosh, Prabir; Banerjee, Soumyodip; Lahiri, Goutam Kumar","Ruthenium Derivatives of in Situ Generated Redox-Active 1,2-Dinitrosobenzene and 2-Nitrosoanilido. Diverse Structural and Electronic Forms.","Inorganic chemistry","2016","55","24","12832","12843","10.1021/acs.inorgchem.6b02197","","","1.54184","CuKα","","0.1079","0.0733","","","0.1711","0.1957","","","","","","1.007","","","","has coordinates","233789","2020-10-21","18:00:00",""
"4349267","23.665","0.012","8.326","0.004","18.241","0.011","90","","90","","90","","3594","3","150","2","150","2","","","","","","","","6","P n n a","-P 2a 2bc","52","","","","- C28 H18 Cl5 N8 O6 Ru -","- C28 H18 Cl5 N8 O6 Ru -","- C112 H72 Cl20 N32 O24 Ru4 -","4","0.5","","Ghosh, Prabir; Banerjee, Soumyodip; Lahiri, Goutam Kumar","Ruthenium Derivatives of in Situ Generated Redox-Active 1,2-Dinitrosobenzene and 2-Nitrosoanilido. Diverse Structural and Electronic Forms.","Inorganic chemistry","2016","55","24","12832","12843","10.1021/acs.inorgchem.6b02197","","","1.5419","CuKα","","0.0935","0.0864","","","0.2329","0.2408","","","","","","1.07","","","","has coordinates","233791","2020-10-21","18:00:00",""
"4349268","34.015","0.015","10.159","0.004","16.332","0.007","90","","102.345","0.006","90","","5513","4","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C23 H16 Cl8 N6 Ru -","- C23 H16 Cl8 N6 Ru -","- C184 H128 Cl64 N48 Ru8 -","8","1","","Ghosh, Prabir; Banerjee, Soumyodip; Lahiri, Goutam Kumar","Ruthenium Derivatives of in Situ Generated Redox-Active 1,2-Dinitrosobenzene and 2-Nitrosoanilido. Diverse Structural and Electronic Forms.","Inorganic chemistry","2016","55","24","12832","12843","10.1021/acs.inorgchem.6b02197","","","0.71075","MoKα","","0.0554","0.0482","","","0.1007","0.105","","","","","","1.114","","","","has coordinates","233793","2020-10-21","18:00:00",""
"4349269","9.944","0.003","13.65","0.004","21.27","0.006","90","","90","","90","","2887.1","1.5","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C23 H15 Cl9 N6 Ru -","- C23 H15 Cl9 N6 Ru -","- C92 H60 Cl36 N24 Ru4 -","4","1","","Ghosh, Prabir; Banerjee, Soumyodip; Lahiri, Goutam Kumar","Ruthenium Derivatives of in Situ Generated Redox-Active 1,2-Dinitrosobenzene and 2-Nitrosoanilido. Diverse Structural and Electronic Forms.","Inorganic chemistry","2016","55","24","12832","12843","10.1021/acs.inorgchem.6b02197","","","0.7107","MoKα","","0.0364","0.034","","","0.0863","0.0946","","","","","","1.104","","","","has coordinates","233795","2020-10-21","18:00:00",""
"4349270","14.826","0.0003","15.0728","0.0003","17.1738","0.0004","91.6565","0.0012","103.352","0.0011","119.056","0.001","3218.93","0.13","100","2","100.15","","","","","","","","","8","P -1","-P 1","2","","","","- C46 H43 F12 Ir N10 O12 Ru S4 -","- C46 H43 F12 Ir N10 O12 Ru S4 -","- C92 H86 F24 Ir2 N20 O24 Ru2 S8 -","2","1","","Brereton, Kelsey R.; Pitman, Catherine L.; Cundari, Thomas R.; Miller, Alexander J. M.","Solvent-Dependent Thermochemistry of an Iridium/Ruthenium H<sub>2</sub> Evolution Catalyst.","Inorganic chemistry","2016","55","22","12042","12051","10.1021/acs.inorgchem.6b02223","","","1.54178","CuKα","","0.0413","0.0383","","","0.0999","0.1018","","","","","","1.045","","","","has coordinates,has disorder","233797","2020-10-21","18:00:00",""
"4349271","20.0146","0.0007","20.9174","0.0008","23.3149","0.0009","90","","103.633","0.002","90","","9485.9","0.6","100","","100","","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C88 H90 F12 Ir2 N18 O13 Ru2 S4 -","- C88 H90 F12 Ir2 N18 O13 Ru2 S4 -","- C352 H360 F48 Ir8 N72 O52 Ru8 S16 -","4","1","","Brereton, Kelsey R.; Pitman, Catherine L.; Cundari, Thomas R.; Miller, Alexander J. M.","Solvent-Dependent Thermochemistry of an Iridium/Ruthenium H<sub>2</sub> Evolution Catalyst.","Inorganic chemistry","2016","55","22","12042","12051","10.1021/acs.inorgchem.6b02223","","","1.54178","CuKα","","0.0742","0.0512","","","0.1303","0.1443","","","","","","1.025","","","","has coordinates,has disorder","233797","2020-10-21","18:00:00",""
"4349272","14.509","0.003","20.059","0.005","38.318","0.007","76.4","0.03","79.22","0.04","74.38","0.03","10347","4","80","2","80","2","","","","","","","","6","P -1","-P 1","2","","","","- C88.5 H56 Cl7.5 D2.5 O14 Ru6 -","- C88.5 H58.5 Cl7.5 O14 Ru6 -","- C354 H234 Cl30 O56 Ru24 -","4","2","","Białek, Michał J; Sprutta, Natasza; Latos-Grażyński, Lechosław","Coordination-Induced Molecular Tweezing: Ruthenium Clusters Docked at Azuliporphyrinogens.","Inorganic chemistry","2016","55","22","12061","12073","10.1021/acs.inorgchem.6b02228","","","0.71073","MoKα","","0.2053","0.1496","","","0.3331","0.3664","","","","","","1.086","","","","has coordinates","252052","2020-10-21","18:00:00",""
"4349273","18.415","0.006","22.194","0.007","28.665","0.008","90","","104.08","0.05","90","","11363","7","85","2","85","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C92 H56 Cl6 D2 O18 Ru8 -","- C92 H56 Cl6 D2 O18 Ru8 -","- C368 H224 Cl24 D8 O72 Ru32 -","4","1","","Białek, Michał J; Sprutta, Natasza; Latos-Grażyński, Lechosław","Coordination-Induced Molecular Tweezing: Ruthenium Clusters Docked at Azuliporphyrinogens.","Inorganic chemistry","2016","55","22","12061","12073","10.1021/acs.inorgchem.6b02228","","","0.71073","MoKα","","0.2063","0.1099","","","0.2561","0.3311","","","","","","1.01","","","","has coordinates,has disorder","233801","2020-10-21","18:00:00",""
"4349274","27.001","0.006","9.234","0.002","24.424","0.005","90","","116.82","0.03","90","","5435","2","79.98","0.13","79.98","0.13","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C60 H48 S2 -","- C60 H48 S2 -","- C240 H192 S8 -","4","0.5","","Białek, Michał J; Sprutta, Natasza; Latos-Grażyński, Lechosław","Coordination-Induced Molecular Tweezing: Ruthenium Clusters Docked at Azuliporphyrinogens.","Inorganic chemistry","2016","55","22","12061","12073","10.1021/acs.inorgchem.6b02228","","","0.71073","MoKα","","0.0928","0.0611","","","0.1567","0.1731","","","","","","1.029","","","","has coordinates","233801","2020-10-21","18:00:00",""
"4349275","12.716","0.002","21.785","0.004","32.824","0.006","90","","90","","90","","9093","3","190","2","190","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C81.46 H48 Cl10.38 D3.46 O18 Ru8 S2 -","- C79.632 H48 Cl4.896 D1.632 O18 Ru8 S2 -","- C318.528 H192 Cl19.584 D6.528 O72 Ru32 S8 -","4","1","","Białek, Michał J; Sprutta, Natasza; Latos-Grażyński, Lechosław","Coordination-Induced Molecular Tweezing: Ruthenium Clusters Docked at Azuliporphyrinogens.","Inorganic chemistry","2016","55","22","12061","12073","10.1021/acs.inorgchem.6b02228","","","1.54178","CuKα","","0.1194","0.0625","","","0.1071","0.1201","","","","","","0.823","","","","has coordinates","233801","2020-10-21","18:00:00",""
"4349276","31.004","0.006","28.866","0.005","22.39","0.004","90","","90","","90","","20038","6","80","2","80","2","","","","","","","","5","A e a 2","A 2 -2ab","41","","","","- C113 H88 O18 Ru8 S2 -","- C113 H88 O18 Ru8 S2 -","- C904 H704 O144 Ru64 S16 -","8","1","","Białek, Michał J; Sprutta, Natasza; Latos-Grażyński, Lechosław","Coordination-Induced Molecular Tweezing: Ruthenium Clusters Docked at Azuliporphyrinogens.","Inorganic chemistry","2016","55","22","12061","12073","10.1021/acs.inorgchem.6b02228","","","0.71073","MoKα","","0.0749","0.0502","","","0.0894","0.0998","","","","","","1.031","","","","has coordinates","233801","2020-10-21","18:00:00",""
"4349277","17.93","0.004","22.426","0.005","28.007","0.008","90","","100.54","0.03","90","","11072","5","79.9","0.5","79.9","0.5","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C87 H52 Cl9 D3 O18 Ru8 S -","- C87 H52 Cl9 D3 O18 Ru8 S -","- C348 H208 Cl36 D12 O72 Ru32 S4 -","4","1","","Białek, Michał J; Sprutta, Natasza; Latos-Grażyński, Lechosław","Coordination-Induced Molecular Tweezing: Ruthenium Clusters Docked at Azuliporphyrinogens.","Inorganic chemistry","2016","55","22","12061","12073","10.1021/acs.inorgchem.6b02228","","","0.71073","MoKα","","0.136","0.0829","","","0.1982","0.2337","","","","","","1.026","","","","has coordinates","233801","2020-10-21","18:00:00",""
"4349278","34.064","0.006","60.772","0.01","8.036","0.0013","90","","90","","90","","16636","5","150","2","150","2","","","","","","","","5","F d d 2","F 2 -2d","43","","","","- C40 H39 N5 O10 Ru2 -","- C40 H39 N5 O10 Ru2 -","- C640 H624 N80 O160 Ru32 -","16","1","","Ansari, Mohd Asif; Mandal, Abhishek; Paretzki, Alexa; Beyer, Katharina; Kaim, Wolfgang; Lahiri, Goutam Kumar","Isomeric Diruthenium Complexes of a Heterocyclic and Quinonoid Bridging Ligand: Valence and Spin Alternatives for the Metal/Ligand/Metal Arrangement.","Inorganic chemistry","2016","55","23","12357","12365","10.1021/acs.inorgchem.6b02245","","","0.7107","MoKα","","0.0366","0.0343","","","0.0746","0.0759","","","","","","1.049","","","","has coordinates","233803","2020-10-21","18:00:00",""
"4349279","11.2273","0.0008","23.898","0.0016","15.396","0.0012","90","","103.292","0.008","90","","4020.2","0.5","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C39 H38 Cl2 N4 O10 Ru2 -","- C39 H38 Cl2 N4 O10 Ru2 -","- C156 H152 Cl8 N16 O40 Ru8 -","4","1","","Ansari, Mohd Asif; Mandal, Abhishek; Paretzki, Alexa; Beyer, Katharina; Kaim, Wolfgang; Lahiri, Goutam Kumar","Isomeric Diruthenium Complexes of a Heterocyclic and Quinonoid Bridging Ligand: Valence and Spin Alternatives for the Metal/Ligand/Metal Arrangement.","Inorganic chemistry","2016","55","23","12357","12365","10.1021/acs.inorgchem.6b02245","","","0.71073","MoKα","","0.128","0.0824","","","0.1769","0.2105","","","","","","1.037","","","","has coordinates","233805","2020-10-21","18:00:00",""
"4349280","8.882","0.001","8.882","0.001","35.469","0.001","90","","90","","90","","2798.1","0.5","100","2","100","2","","","","","","","","5","P 43 21 2","P 4nw 2abw","96","","","","- C20 H32 I3 P4 Sc -","- C20 H32 I3 P4 Sc -","- C80 H128 I12 P16 Sc4 -","4","0.5","","Carravetta, Marina; Concistre, Maria; Levason, William; Reid, Gillian; Zhang, Wenjian","Rare Neutral Diphosphine Complexes of Scandium(III) and Yttrium(III) Halides.","Inorganic chemistry","2016","55","24","12890","12896","10.1021/acs.inorgchem.6b02268","","","0.71075","MoKα","","0.0278","0.0258","","","0.0575","0.0581","","","","","","1.156","","","","has coordinates","233808","2020-10-21","18:00:00",""
"4349281","17.453","0.006","10.636","0.003","17.515","0.006","90","","90","","90","","3251.3","1.8","100","2","100","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C22 H35 I3 N P4 Y -","- C22 H35 I3 N P4 Y -","- C88 H140 I12 N4 P16 Y4 -","4","1","","Carravetta, Marina; Concistre, Maria; Levason, William; Reid, Gillian; Zhang, Wenjian","Rare Neutral Diphosphine Complexes of Scandium(III) and Yttrium(III) Halides.","Inorganic chemistry","2016","55","24","12890","12896","10.1021/acs.inorgchem.6b02268","","","0.71075","MoKα","","0.062","0.0367","","","0.0849","0.1121","","","","","","0.7","","","","has coordinates","233810","2020-10-21","18:00:00",""
"4349282","13.902","0.002","13.902","0.002","25.589","0.008","90","","90","","90","","4945.5","1.8","100","2","100","2","","","","","","","","5","I 41/a m d :2","-I 4bd 2","141","","","","- C12 H32 I3 P4 Sc -","- C12 H28 I3 P4 Sc -","- C96 H224 I24 P32 Sc8 -","8","0.25","","Carravetta, Marina; Concistre, Maria; Levason, William; Reid, Gillian; Zhang, Wenjian","Rare Neutral Diphosphine Complexes of Scandium(III) and Yttrium(III) Halides.","Inorganic chemistry","2016","55","24","12890","12896","10.1021/acs.inorgchem.6b02268","","","0.71075","MoKα","","0.0474","0.0326","","","0.0806","0.0881","","","","","","1.097","","","","has coordinates,has disorder","233812","2020-10-21","18:00:00",""
"4349283","25.964","0.003","11.7576","0.0013","29.248","0.004","90","","90.045","0.003","90","","8928.7","1.9","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Mn2(CO)7(CNArDipp2)3","","","- C100 H111 Mn2 N3 O7 -","- C100 H111 Mn2 N3 O7 -","- C400 H444 Mn8 N12 O28 -","4","1","","Agnew, Douglas W.; Sampson, Matthew D.; Moore, Curtis E.; Rheingold, Arnold L.; Kubiak, Clifford P.; Figueroa, Joshua S.","Electrochemical Properties and CO<sub>2</sub>-Reduction Ability of m-Terphenyl Isocyanide Supported Manganese Tricarbonyl Complexes.","Inorganic chemistry","2016","55","23","12400","12408","10.1021/acs.inorgchem.6b02299","","x-ray","0.71073","MoKα","","0.1439","0.1298","","","0.2854","0.2909","","","","","","1.207","","","","has coordinates,has disorder","233814","2020-10-21","18:00:00",""
"4349284","16.7392","0.0014","17.0282","0.0014","24.298","0.002","90","","102.184","0.003","90","","6769.9","1","100","","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","IMn(CO)3(CNArDipp2)2(C4H8O)","","","- C73 H90 I Mn N2 O5 -","- C73 H90 I Mn N2 O5 -","- C292 H360 I4 Mn4 N8 O20 -","4","1","","Agnew, Douglas W.; Sampson, Matthew D.; Moore, Curtis E.; Rheingold, Arnold L.; Kubiak, Clifford P.; Figueroa, Joshua S.","Electrochemical Properties and CO<sub>2</sub>-Reduction Ability of m-Terphenyl Isocyanide Supported Manganese Tricarbonyl Complexes.","Inorganic chemistry","2016","55","23","12400","12408","10.1021/acs.inorgchem.6b02299","","","0.71073","MoKα","","0.0912","0.0577","","","0.1346","0.1491","","","","","","1.034","","","","has coordinates,has disorder","233814","2020-10-21","18:00:00",""
"4349285","17.3739","0.0016","25.063","0.003","17.1374","0.0017","90","","90","","90","","7462.3","1.3","100","2","100","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","Mn2(CO)8(CNArDipp2)2","","","- C78 H94 Mn2 N2 O10 -","- C78 H94 Mn2 N2 O10 -","- C312 H376 Mn8 N8 O40 -","4","0.5","","Agnew, Douglas W.; Sampson, Matthew D.; Moore, Curtis E.; Rheingold, Arnold L.; Kubiak, Clifford P.; Figueroa, Joshua S.","Electrochemical Properties and CO<sub>2</sub>-Reduction Ability of m-Terphenyl Isocyanide Supported Manganese Tricarbonyl Complexes.","Inorganic chemistry","2016","55","23","12400","12408","10.1021/acs.inorgchem.6b02299","","","0.71073","MoKα","","0.1197","0.0486","","","0.0894","0.1151","","","","","","1.031","","","","has coordinates,has disorder","233814","2020-10-21","18:00:00",""
"4349286","3.95","0.003","10.125","0.007","13.144","0.009","101.311","0.008","90.999","0.008","94.437","0.008","513.6","0.6","100","","100","","","","","","","","","4","P -1","-P 1","2","","","","- C10 N4 Ni2 S8 -","- C10 N4 Ni2 S8 -","- C10 N4 Ni2 S8 -","1","0.5","","Hayashi, Mikihiro; Otsubo, Kazuya; Maesato, Mitsuhiko; Komatsu, Tokutaro; Sugimoto, Kunihisa; Fujiwara, Akihiko; Kitagawa, Hiroshi","An Electrically Conductive Single-Component Donor-Acceptor-Donor Aggregate with Hydrogen-Bonding Lattice.","Inorganic chemistry","2016","55","24","13027","13034","10.1021/acs.inorgchem.6b02301","","","0.71075","MoKα","","0.0986","0.0651","","","0.2061","0.2302","","","","","","1.044","","","","has coordinates","233816","2020-10-21","18:00:00",""
"4349287","21.622","0.002","23.982","0.002","35.304","0.004","90","","90","","90","","18306","3","100","2","100","2","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C166 H208 B4 Br4 Co5 Fe4 N44 O22 -","- C127 H126 B4 Br4 Co5 Fe4 N44 O7 -","- C508 H504 B16 Br16 Co20 Fe16 N176 O28 -","4","1","","Wei, Rong-Jia; Shiga, Takuya; Newton, Graham N.; Robinson, David; Takeda, Sadamu; Oshio, Hiroki","A Cyanide-Bridged Magnetically Switchable Cage with Encapsulated Water Molecules.","Inorganic chemistry","2016","55","23","12114","12117","10.1021/acs.inorgchem.6b02306","","","0.71","MoKα","","0.0911","0.08","","","0.1909","0.1964","","","","","","1.061","","","","has coordinates,has disorder","233817","2020-10-21","18:00:00",""
"4349288","21.432","0.004","24.169","0.004","35.472","0.006","90","","90","","90","","18374","6","100","2","100","2","","","","","","","","9","P 21 21 21","P 2ac 2ab","19","","","","- C160 H188 B4 Br4 Co5 D8 Fe4 N44 O20 -","- C130 H128 B4 Br4 Co5 D4 Fe4 N44 O8 -","- C520 H512 B16 Br16 Co20 D16 Fe16 N176 O32 -","4","1","","Wei, Rong-Jia; Shiga, Takuya; Newton, Graham N.; Robinson, David; Takeda, Sadamu; Oshio, Hiroki","A Cyanide-Bridged Magnetically Switchable Cage with Encapsulated Water Molecules.","Inorganic chemistry","2016","55","23","12114","12117","10.1021/acs.inorgchem.6b02306","","","0.71073","MoKα","","0.0737","0.0593","","","0.1385","0.1444","","","","","","1.038","","","","has coordinates,has disorder","233817","2020-10-21","18:00:00",""
"4349289","19.378","0.009","7.39","0.003","13.683","0.007","90","","90","","90","","1959.5","1.6","100","2","100","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C2 H12 Ag4 N2 S8 Sn3 -","- C2 H12 Ag4 N2 S8 Sn3 -","- C8 H48 Ag16 N8 S32 Sn12 -","4","0.5","","Zhang, Bo; Li, Jun; Du, Cheng-Feng; Feng, Mei-Ling; Huang, Xiao-Ying","[CH<sub>3</sub>NH<sub>3</sub>]<sub>2</sub>Ag<sub>4</sub>Sn<sup>IV</sup><sub>2</sub>Sn<sup>II</sup>S<sub>8</sub>: An Open-Framework Mixed-Valent Chalcogenidostannate.","Inorganic chemistry","2016","55","21","10855","10858","10.1021/acs.inorgchem.6b02317","","","0.71073","MoKα","","0.0342","0.0287","","","0.063","0.0662","","","","","","0.995","","","","has coordinates","233819","2020-10-21","18:00:00",""
"4349290","10.5785","0.0005","14.4939","0.0006","20.5","0.0009","90","","97.355","0.002","90","","3117.3","0.2","100","2","100","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C28.5 H23 Cd N2 O6 -","- C28.5 H19 Cd N2 O6 -","- C114 H76 Cd4 N8 O24 -","4","1","","An, Litao; Wang, Hao; Xu, Feng; Wang, Xin-Long; Wang, Fangming; Li, Jing; Teat, Simon","Selective Carbon Dioxide Adsorption by Two Robust Microporous Coordination Polymers.","Inorganic chemistry","2016","55","24","12923","12929","10.1021/acs.inorgchem.6b02332","","","0.7749","synchrotron","","0.0591","0.0466","","","0.117","0.1282","","","","","","1.024","","","","has coordinates","233820","2020-10-21","18:00:00",""
"4349291","10.4985","0.0004","14.5262","0.0005","20.636","0.0008","90","","97.611","0.002","90","","3119.3","0.2","100","2","100","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C59 H42 Cd2 N4 O8 -","- C59 H42 Cd2 N4 O8 -","- C118 H84 Cd4 N8 O16 -","2","0.5","","An, Litao; Wang, Hao; Xu, Feng; Wang, Xin-Long; Wang, Fangming; Li, Jing; Teat, Simon","Selective Carbon Dioxide Adsorption by Two Robust Microporous Coordination Polymers.","Inorganic chemistry","2016","55","24","12923","12929","10.1021/acs.inorgchem.6b02332","","","0.7749","synchrotron","","0.0534","0.0356","","","0.0846","0.0905","","","","","","1.033","","","","has coordinates","233823","2020-10-21","18:00:00",""
"4349293","16.1155","0.0004","23.2575","0.0006","16.1766","0.0004","90","","97.445","0.002","90","","6012","0.3","150","2","150","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C49 H50 Al B Cl F18 N O4 -","- C49 H50 Al B Cl F18 N O4 -","- C196 H200 Al4 B4 Cl4 F72 N4 O16 -","4","1","","Huang, Jih-Sheng; Lee, Wan-Hua; Shen, Chao-Tang; Lin, Ya-Fan; Liu, Yi-Hung; Peng, Shie-Ming; Chiu, Ching-Wen","Cp*-Substituted Boron Cations: The Effect of NHC, NHO, and CAAC Ligands.","Inorganic chemistry","2016","55","23","12427","12434","10.1021/acs.inorgchem.6b02336","","","0.71073","MoKα","","0.2946","0.2292","","","0.5247","0.5523","","","","","","3.269","","","","has coordinates","233827","2020-10-21","18:00:00",""
"4349294","12.5727","0.0006","15.5552","0.0008","20.9056","0.0007","90","","91.152","0.004","90","","4087.7","0.3","200","2","200","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C33 H50 Al2 B Cl8 N -","- C33 H50 Al2 B Cl8 N -","- C132 H200 Al8 B4 Cl32 N4 -","4","1","","Huang, Jih-Sheng; Lee, Wan-Hua; Shen, Chao-Tang; Lin, Ya-Fan; Liu, Yi-Hung; Peng, Shie-Ming; Chiu, Ching-Wen","Cp*-Substituted Boron Cations: The Effect of NHC, NHO, and CAAC Ligands.","Inorganic chemistry","2016","55","23","12427","12434","10.1021/acs.inorgchem.6b02336","","","1.54178","CuKα","","0.0525","0.041","","","0.0999","0.1105","","","","","","0.993","","","","has coordinates","233829","2020-10-21","18:00:00",""
"4349295","10.0511","0.0004","26.5752","0.0011","13.0432","0.0005","90","","92.929","0.004","90","","3479.4","0.2","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C33 H51 Al B Cl4 N -","- C33 H51 Al B Cl4 N -","- C132 H204 Al4 B4 Cl16 N4 -","4","1","","Huang, Jih-Sheng; Lee, Wan-Hua; Shen, Chao-Tang; Lin, Ya-Fan; Liu, Yi-Hung; Peng, Shie-Ming; Chiu, Ching-Wen","Cp*-Substituted Boron Cations: The Effect of NHC, NHO, and CAAC Ligands.","Inorganic chemistry","2016","55","23","12427","12434","10.1021/acs.inorgchem.6b02336","","","0.71073","MoKα","","0.115","0.0641","","","0.1336","0.162","","","","","","1.008","","","","has coordinates","233831","2020-10-21","18:00:00",""
"4349296","9.924","0.016","11.943","0.018","12.99","0.02","83.38","0.06","78.43","0.04","84.24","0.05","1494","4","112","","112","","","","","","","","","6","P -1","-P 1","2","","","","- C47.5 H40 Cl10 N2 O12 Ru2 -","- C47.5 H43 Cl10 N2 O12 Ru2 -","- C47.5 H43 Cl10 N2 O12 Ru2 -","1","0.5","","Zhang, Jun; Kosaka, Wataru; Fukunaga, Hiroki; Kitagawa, Susumu; Takata, Masaki; Miyasaka, Hitoshi","Regulation of NO Uptake in Flexible Ru Dimer Chain Compounds with Highly Electron Donating Dopants.","Inorganic chemistry","2016","55","22","12085","12092","10.1021/acs.inorgchem.6b02349","","","0.71075","MoKα","","0.1829","0.1433","","","0.3595","0.411","","","","","","1.31","","","","has coordinates","233834","2020-10-21","18:00:00",""
"4349297","9.8399","0.0006","10.6143","0.0007","10.9375","0.0004","99.279","0.006","92.63","0.007","107.381","0.008","1070.55","0.12","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C44 H33.36 Cl2.64 N2 O12 Ru2 -","- C44 H33.36 Cl2.64 N2 O12 Ru2 -","- C44 H33.36 Cl2.64 N2 O12 Ru2 -","1","0.5","","Zhang, Jun; Kosaka, Wataru; Fukunaga, Hiroki; Kitagawa, Susumu; Takata, Masaki; Miyasaka, Hitoshi","Regulation of NO Uptake in Flexible Ru Dimer Chain Compounds with Highly Electron Donating Dopants.","Inorganic chemistry","2016","55","22","12085","12092","10.1021/acs.inorgchem.6b02349","powder diffraction","","0.8004","synchrotron","","0.00307","","","","","","0.0031","0.00831","4.9472","","","","","","","has coordinates","233834","2020-10-21","18:00:00",""
"4349298","9.723","0.003","11.564","0.004","12.965","0.004","81.499","0.011","77.99","0.009","84.219","0.011","1406.5","0.8","112","","112","","","","","","","","","6","P -1","-P 1","2","","","","- C47 H40 Cl8 N2 O12 Ru2 -","- C47 H38 Cl8 N2 O12 Ru2 -","- C47 H38 Cl8 N2 O12 Ru2 -","1","0.5","","Zhang, Jun; Kosaka, Wataru; Fukunaga, Hiroki; Kitagawa, Susumu; Takata, Masaki; Miyasaka, Hitoshi","Regulation of NO Uptake in Flexible Ru Dimer Chain Compounds with Highly Electron Donating Dopants.","Inorganic chemistry","2016","55","22","12085","12092","10.1021/acs.inorgchem.6b02349","","","0.71075","MoKα","","0.1087","0.0732","","","0.1851","0.2112","","","","","","1.068","","","","has coordinates","233834","2020-10-21","18:00:00",""
"4349299","9.891","0.0005","10.5583","0.0006","10.9831","0.0004","98.159","0.007","92.206","0.008","108.006","0.007","1075.63","0.1","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C44 H33.76 Cl2.24 N2 O12 Ru2 -","- C44 H33.76 Cl2.24 N2 O12 Ru2 -","- C44 H33.76 Cl2.24 N2 O12 Ru2 -","1","0.5","","Zhang, Jun; Kosaka, Wataru; Fukunaga, Hiroki; Kitagawa, Susumu; Takata, Masaki; Miyasaka, Hitoshi","Regulation of NO Uptake in Flexible Ru Dimer Chain Compounds with Highly Electron Donating Dopants.","Inorganic chemistry","2016","55","22","12085","12092","10.1021/acs.inorgchem.6b02349","powder diffraction","","0.8004","synchrotron","","0.00486","","","","","","0.00486","0.01207","5.4566","","","","","","","has coordinates","233834","2020-10-21","18:00:00",""
"4349300","9.761","0.004","11.528","0.005","12.982","0.005","80.75","0.014","78.389","0.012","84.462","0.015","1409.2","1","112","","112","","","","","","","","","6","P -1","-P 1","2","","","","- C46.9 H40 Cl7.6 N2 O12 Ru2 -","- C46.9 H36 Cl7.6 N2 O12 Ru2 -","- C46.9 H36 Cl7.6 N2 O12 Ru2 -","1","0.5","","Zhang, Jun; Kosaka, Wataru; Fukunaga, Hiroki; Kitagawa, Susumu; Takata, Masaki; Miyasaka, Hitoshi","Regulation of NO Uptake in Flexible Ru Dimer Chain Compounds with Highly Electron Donating Dopants.","Inorganic chemistry","2016","55","22","12085","12092","10.1021/acs.inorgchem.6b02349","","","0.71075","MoKα","","0.071","0.0607","","","0.1703","0.1942","","","","","","1.095","","","","has coordinates","233834","2020-10-21","18:00:00",""
"4349301","9.879","0.0005","10.5098","0.0007","10.9471","0.0004","97.8","0.007","91.989","0.009","108.294","0.007","1065.55","0.11","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C44 H34.08 Cl1.92 N2 O12 Ru2 -","- C44 H34.08 Cl1.92 N2 O12 Ru2 -","- C44 H34.08 Cl1.92 N2 O12 Ru2 -","1","0.5","","Zhang, Jun; Kosaka, Wataru; Fukunaga, Hiroki; Kitagawa, Susumu; Takata, Masaki; Miyasaka, Hitoshi","Regulation of NO Uptake in Flexible Ru Dimer Chain Compounds with Highly Electron Donating Dopants.","Inorganic chemistry","2016","55","22","12085","12092","10.1021/acs.inorgchem.6b02349","powder diffraction","","0.8004","synchrotron","","0.00383","","","","","","0.00383","0.00791","5.2429","","","","","","","has coordinates","233834","2020-10-21","18:00:00",""
"4349302","9.882","0.015","11.598","0.017","13.116","0.017","80.29","0.06","78.65","0.06","84.4","0.06","1450","4","112","","112","","","","","","","","","6","P -1","-P 1","2","","","","- C46.6 H40 Cl6.4 N2 O12 Ru2 -","- C46.6 H37.2 Cl6.4 N2 O12 Ru2 -","- C46.6 H37.2 Cl6.4 N2 O12 Ru2 -","1","0.5","","Zhang, Jun; Kosaka, Wataru; Fukunaga, Hiroki; Kitagawa, Susumu; Takata, Masaki; Miyasaka, Hitoshi","Regulation of NO Uptake in Flexible Ru Dimer Chain Compounds with Highly Electron Donating Dopants.","Inorganic chemistry","2016","55","22","12085","12092","10.1021/acs.inorgchem.6b02349","","","0.71075","MoKα","","0.2235","0.1682","","","0.3973","0.4563","","","","","","1.34","","","","has coordinates","233834","2020-10-21","18:00:00",""
"4349303","9.957","0.016","10.656","0.016","12.61","0.02","87.15","0.06","83.79","0.05","80.62","0.05","1312","4","112","","112","","","","","","","","","6","P -1","-P 1","2","","","","- C45.6 H38.4 Cl4 N2 O12 Ru2 -","- C45.6 H35.2 Cl4 N2 O12 Ru2 -","- C45.6 H35.2 Cl4 N2 O12 Ru2 -","1","0.5","","Zhang, Jun; Kosaka, Wataru; Fukunaga, Hiroki; Kitagawa, Susumu; Takata, Masaki; Miyasaka, Hitoshi","Regulation of NO Uptake in Flexible Ru Dimer Chain Compounds with Highly Electron Donating Dopants.","Inorganic chemistry","2016","55","22","12085","12092","10.1021/acs.inorgchem.6b02349","","","0.71075","MoKα","","0.1855","0.1419","","","0.3422","0.3952","","","","","","1.173","","","","has coordinates","233834","2020-10-21","18:00:00",""
"4349304","9.787","0.011","10.514","0.014","12.386","0.017","86.81","0.04","84.03","0.05","80.49","0.04","1249","3","112","","112","","","","","","","","","6","P -1","-P 1","2","","","","- C45.7 H38.8 Cl4 N2 O12 Ru2 -","- C45.7 H32 Cl4 N2 O12 Ru2 -","- C45.7 H32 Cl4 N2 O12 Ru2 -","1","0.5","","Zhang, Jun; Kosaka, Wataru; Fukunaga, Hiroki; Kitagawa, Susumu; Takata, Masaki; Miyasaka, Hitoshi","Regulation of NO Uptake in Flexible Ru Dimer Chain Compounds with Highly Electron Donating Dopants.","Inorganic chemistry","2016","55","22","12085","12092","10.1021/acs.inorgchem.6b02349","","","0.71075","MoKα","","0.1935","0.149","","","0.3489","0.4033","","","","","","1.241","","","","has coordinates","233834","2020-10-21","18:00:00",""
"4349305","9.5608","0.0004","10.4007","0.0005","10.5941","0.0004","92.192","0.005","97.166","0.005","102.015","0.006","1020.1","0.08","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C44 H35.48 Cl0.52 N2 O12 Ru2 -","- C44 H35.48 Cl0.52 N2 O12 Ru2 -","- C44 H35.48 Cl0.52 N2 O12 Ru2 -","1","0.5","","Zhang, Jun; Kosaka, Wataru; Fukunaga, Hiroki; Kitagawa, Susumu; Takata, Masaki; Miyasaka, Hitoshi","Regulation of NO Uptake in Flexible Ru Dimer Chain Compounds with Highly Electron Donating Dopants.","Inorganic chemistry","2016","55","22","12085","12092","10.1021/acs.inorgchem.6b02349","powder diffraction","","0.8004","synchrotron","","0.00778","","","","","","0.00784","0.02434","8.0291","","","","","","","has coordinates","233834","2020-10-21","18:00:00",""
"4349306","9.672","0.012","10.399","0.011","11.807","0.014","86.95","0.04","86.5","0.06","80.67","0.06","1169","2","93","","93","","","","","","","","","6","P -1","-P 1","2","","","","- C46 H40 Cl4 N2 O12 Ru2 -","- C46 H40 Cl4 N2 O12 Ru2 -","- C46 H40 Cl4 N2 O12 Ru2 -","1","0.5","","Zhang, Jun; Kosaka, Wataru; Fukunaga, Hiroki; Kitagawa, Susumu; Takata, Masaki; Miyasaka, Hitoshi","Regulation of NO Uptake in Flexible Ru Dimer Chain Compounds with Highly Electron Donating Dopants.","Inorganic chemistry","2016","55","22","12085","12092","10.1021/acs.inorgchem.6b02349","","","0.71075","MoKα","","0.0462","0.0381","","","0.0925","0.0996","","","","","","1.111","","","","has coordinates","233834","2020-10-21","18:00:00",""
"4349307","8.053","0.0006","13.8608","0.001","13.8522","0.0011","90","","93.471","0.002","90","","1543.4","0.2","90","0.2","90","0.2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C16 H17 N3 O7 -","- C16 H17 N3 O7 -","- C64 H68 N12 O28 -","4","1","","Weekes, David M.; Ramogida, Caterina F.; Jaraquemada-Peláez, Maria de Guadalupe; Patrick, Brian O.; Apte, Chirag; Kostelnik, Thomas I.; Cawthray, Jacqueline F.; Murphy, Lisa; Orvig, Chris","Dipicolinate Complexes of Gallium(III) and Lanthanum(III).","Inorganic chemistry","2016","55","24","12544","12558","10.1021/acs.inorgchem.6b02357","","","0.71073","MoKα","","0.0396","0.0349","","","0.0949","0.0984","","","","","","1.051","","","","has coordinates","233837","2020-10-21","18:00:00",""
"4349308","30.9305","0.0018","35.941","0.002","7.0749","0.0004","90","","90","","90","","7865","0.8","90","2","90.15","","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C16 H18 Ga N3 O9 -","- C16 H18 Ga N3 O9 -","- C256 H288 Ga16 N48 O144 -","16","2","","Weekes, David M.; Ramogida, Caterina F.; Jaraquemada-Peláez, Maria de Guadalupe; Patrick, Brian O.; Apte, Chirag; Kostelnik, Thomas I.; Cawthray, Jacqueline F.; Murphy, Lisa; Orvig, Chris","Dipicolinate Complexes of Gallium(III) and Lanthanum(III).","Inorganic chemistry","2016","55","24","12544","12558","10.1021/acs.inorgchem.6b02357","","","0.71073","MoKα","","0.12","0.0882","","","0.1657","0.1751","","","","","","1.147","","","","has coordinates","233839","2020-10-21","18:00:00",""
"4349309","7.3614","0.0012","12.8124","0.0018","15.475","0.002","73.422","0.007","89.813","0.008","81.366","0.009","1381.8","0.4","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C14 H15 N3 O5 -","- C14 H15 N3 O5 -","- C56 H60 N12 O20 -","4","2","","Weekes, David M.; Ramogida, Caterina F.; Jaraquemada-Peláez, Maria de Guadalupe; Patrick, Brian O.; Apte, Chirag; Kostelnik, Thomas I.; Cawthray, Jacqueline F.; Murphy, Lisa; Orvig, Chris","Dipicolinate Complexes of Gallium(III) and Lanthanum(III).","Inorganic chemistry","2016","55","24","12544","12558","10.1021/acs.inorgchem.6b02357","","","0.71073","MoKα","","0.113","0.0741","","","0.1807","0.2116","","","","","","1.031","","","","has coordinates","233841","2020-10-21","18:00:00",""
"4349310","21.956","0.003","21.956","0.003","23.591","0.003","90","","90","","90","","11372","3","150","2","150","2","","","","","","","","5","P 4/n n c :2","-P 4a 2bc","126","","","","- C140 H196 Mn29 N30 O80 -","- C140 Mn29 N30 O80 -","- C280 Mn58 N60 O160 -","2","0.125","","Alexandropoulos, Dimitris I.; Fournet, Adeline; Cunha-Silva, Luís; Christou, George; Stamatatos, Theocharis C.","""Molecular Nanoclusters"": A 2-nm-Sized {Mn<sub>29</sub>} Cluster with a Spherical Structure.","Inorganic chemistry","2016","55","23","12118","12121","10.1021/acs.inorgchem.6b02363","","","0.71073","MoKα","","0.076","0.0628","","","0.1627","0.1712","","","","","","1.056","","","","has coordinates,has disorder","233842","2020-10-21","18:00:00",""
"4349311","11.225","0.004","10.798","0.004","12.435","0.004","90","","97.074","0.004","90","","1495.7","0.9","133","2","133","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C8 H16 F8 O2 S2 -","- C8 H16 F8 O2 S2 -","- C32 H64 F32 O8 S8 -","4","1","","Goettel, James T.; Gerken, Michael","Synthesis and Characterization of Adducts between SF<sub>4</sub> and Oxygen Bases: Examples of O···S(IV) Chalcogen Bonding.","Inorganic chemistry","2016","55","23","12441","12450","10.1021/acs.inorgchem.6b02373","","","0.71073","MoKα","","0.0567","0.0473","","","0.1127","0.1193","","","","","","1.053","","","","has coordinates","258458","2020-10-21","18:00:00",""
"4349312","11.307","0.002","13.664","0.004","17.149","0.003","107.28","0.04","98.74","0.03","107.83","0.03","2320.8","1.3","123","2","123","2","","","","","","","","5","P -1","-P 1","2","","","","- C8 H16 F4 O2 S -","- C8 H16 F4 O2 S -","- C64 H128 F32 O16 S8 -","8","4","","Goettel, James T.; Gerken, Michael","Synthesis and Characterization of Adducts between SF<sub>4</sub> and Oxygen Bases: Examples of O···S(IV) Chalcogen Bonding.","Inorganic chemistry","2016","55","23","12441","12450","10.1021/acs.inorgchem.6b02373","","","0.71073","MoKα","","0.1318","0.0571","","","0.1125","0.1334","","","","","","0.929","","","","has coordinates","233845","2020-10-21","18:00:00",""
"4349313","4.6402","0.0012","13.168","0.003","13.503","0.003","90","","90","","90","","825.1","0.3","128","2","128","2","","","","","","","","5","P b c m","-P 2c 2b","57","","","","- C4 H10 F4 O2 S -","- C4 H10 F4 O2 S -","- C16 H40 F16 O8 S4 -","4","0.5","","Goettel, James T.; Gerken, Michael","Synthesis and Characterization of Adducts between SF<sub>4</sub> and Oxygen Bases: Examples of O···S(IV) Chalcogen Bonding.","Inorganic chemistry","2016","55","23","12441","12450","10.1021/acs.inorgchem.6b02373","","","0.71073","MoKα","","0.0228","0.0197","","","0.0549","0.0575","","","","","","1.127","","","","has coordinates","233845","2020-10-21","18:00:00",""
"4349314","8.9081","0.0016","16.721","0.003","9.4878","0.0017","90","","116.32","0.002","90","","1266.7","0.4","123","2","123","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C10 H16 F4 O2 S -","- C10 H16 F4 O2 S -","- C40 H64 F16 O8 S4 -","4","1","","Goettel, James T.; Gerken, Michael","Synthesis and Characterization of Adducts between SF<sub>4</sub> and Oxygen Bases: Examples of O···S(IV) Chalcogen Bonding.","Inorganic chemistry","2016","55","23","12441","12450","10.1021/acs.inorgchem.6b02373","","","0.71073","MoKα","","0.044","0.0342","","","0.0806","0.085","","","","","","1.003","","","","has coordinates","233845","2020-10-21","18:00:00",""
"4349315","7.792","0.005","9.433","0.005","11.586","0.007","107.669","0.006","103.451","0.006","96.358","0.007","773.9","0.8","153","2","153","2","","","","","","","","6","P -1","-P 1","2","","","","- C8 H11 F9 N4 O2 S2 -","- C8 H11 F9 N4 O2 S2 -","- C16 H22 F18 N8 O4 S4 -","2","1","","Goettel, James T.; Gerken, Michael","Synthesis and Characterization of Adducts between SF<sub>4</sub> and Oxygen Bases: Examples of O···S(IV) Chalcogen Bonding.","Inorganic chemistry","2016","55","23","12441","12450","10.1021/acs.inorgchem.6b02373","","","0.71073","MoKα","","0.0403","0.0327","","","0.0855","0.0898","","","","","","1.029","","","","has coordinates","233845","2020-10-21","18:00:00",""
"4349318","10.9394","0.0005","17.2285","0.0008","7.6644","0.0004","90","","105.951","0.005","90","","1388.89","0.12","128.4","0.14","128.4","0.14","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H20 N2 Ni3 O14 -","- C28 H20 N2 Ni3 O14 -","- C56 H40 N4 Ni6 O28 -","2","0.5","","Meng, Xixi; Zhang, Xuejing; Bing, Yanmin; Xu, Na; Shi, Wei; Cheng, Peng","In Situ Generation of NiO Nanoparticles in a Magnetic Metal-Organic Framework Exhibiting Three-Dimensional Magnetic Ordering.","Inorganic chemistry","2016","55","24","12938","12943","10.1021/acs.inorgchem.6b02376","","","0.71073","MoKα","","0.0386","0.0333","","","0.0719","0.075","","","","","","1.062","","","","has coordinates","233849","2020-10-21","18:00:00",""
"4349319","10.2001","0.0013","10.6945","0.0018","13.1719","0.0012","108.594","0.011","94.039","0.009","117.126","0.015","1171.7","0.4","173.05","0.1","173.05","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C18 H23 Co Dy N5 O10 -","- C18 H23 Co Dy N5 O10 -","- C36 H46 Co2 Dy2 N10 O20 -","2","1","","Novitchi, Ghénadie; Shova, Sergiu; Lan, Yanhua; Wernsdorfer, Wolfgang; Train, Cyrille","Verdazyl Radical, a Building Block for a Six-Spin-Center 2p-3d-4f Single-Molecule Magnet.","Inorganic chemistry","2016","55","23","12122","12125","10.1021/acs.inorgchem.6b02380","","","0.71073","MoKα","","0.1307","0.0724","","","0.0982","0.1198","","","","","","0.928","","","","has coordinates","233850","2020-10-21","18:00:00",""
"4349322","15.918","0.003","17.571","0.003","19.574","0.003","86.263","0.004","80.463","0.005","79.321","0.005","5302.2","1.6","103","2","103","2","","","","","","","","5","P -1","-P 1","2","","","","- C119 H113 Ag6 O4 P8 -","- C119 H104 Ag6 O4 P8 -","- C238 H208 Ag12 O8 P16 -","2","1","","Cook, Andrew W.; Nguyen, Thuy-Ai D; Buratto, William R.; Wu, Guang; Hayton, Trevor W.","Synthesis, Characterization, and Reactivity of the Group 11 Hydrido Clusters [Ag<sub>6</sub>H<sub>4</sub>(dppm)<sub>4</sub>(OAc)<sub>2</sub>] and [Cu<sub>3</sub>H(dppm)<sub>3</sub>(OAc)<sub>2</sub>].","Inorganic chemistry","2016","55","23","12435","12440","10.1021/acs.inorgchem.6b02385","","","0.71073","MoKα","","0.1173","0.0745","","","0.1523","0.1705","","","","","","1.099","","","","has coordinates","233853","2020-10-21","18:00:00",""
"4349323","13.493","0.003","43.365","0.009","13.796","0.004","90","","105.106","0.007","90","","7793","3","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C91 H85 Cu3 O4 P6 -","- C91 H85 Cu3 O4 P6 -","- C364 H340 Cu12 O16 P24 -","4","1","","Cook, Andrew W.; Nguyen, Thuy-Ai D; Buratto, William R.; Wu, Guang; Hayton, Trevor W.","Synthesis, Characterization, and Reactivity of the Group 11 Hydrido Clusters [Ag<sub>6</sub>H<sub>4</sub>(dppm)<sub>4</sub>(OAc)<sub>2</sub>] and [Cu<sub>3</sub>H(dppm)<sub>3</sub>(OAc)<sub>2</sub>].","Inorganic chemistry","2016","55","23","12435","12440","10.1021/acs.inorgchem.6b02385","","","0.71073","MoKα","","0.1101","0.0538","","","0.0964","0.1137","","","","","","0.988","","","","has coordinates","233853","2020-10-21","18:00:00",""
"4349324","10.1984","0.0009","14.2488","0.0013","17.5947","0.0016","99.675","0.002","90.719","0.002","107.102","0.001","2403.7","0.4","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C44 H70 N2 O4 S4 Sn2 -","- C44 H70 N2 O4 S4 Sn2 -","- C88 H140 N4 O8 S8 Sn4 -","2","1","","Torres-Huerta, Aaron; Cruz-Huerta, Jorge; Höpfl, Herbert; Hernández-Vázquez, Luis G; Escalante-García, Jaime; Jiménez-Sánchez, Arturo; Santillan, Rosa; Hernández-Ahuactzi, Irán F; Sánchez, Mario","Variation of the Molecular Conformation, Shape, and Cavity Size in Dinuclear Metalla-Macrocycles Containing Hetero-Ditopic Dithiocarbamate-Carboxylate Ligands from a Homologous Series of N-Substituted Amino Acids.","Inorganic chemistry","2016","55","23","12451","12469","10.1021/acs.inorgchem.6b02387","","","0.71073","MoKα","","0.0309","0.0293","","","0.0682","0.0694","","","","","","1.055","","","","has coordinates","233855","2020-10-21","18:00:00",""
"4349325","14.704","0.002","8.0714","0.0013","14.564","0.002","90","","93.626","0.003","90","","1725","0.4","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C15 H21 N O2 S2 Sn -","- C15 H21 N O2 S2 Sn -","- C60 H84 N4 O8 S8 Sn4 -","4","1","","Torres-Huerta, Aaron; Cruz-Huerta, Jorge; Höpfl, Herbert; Hernández-Vázquez, Luis G; Escalante-García, Jaime; Jiménez-Sánchez, Arturo; Santillan, Rosa; Hernández-Ahuactzi, Irán F; Sánchez, Mario","Variation of the Molecular Conformation, Shape, and Cavity Size in Dinuclear Metalla-Macrocycles Containing Hetero-Ditopic Dithiocarbamate-Carboxylate Ligands from a Homologous Series of N-Substituted Amino Acids.","Inorganic chemistry","2016","55","23","12451","12469","10.1021/acs.inorgchem.6b02387","","","0.71073","MoKα","","0.087","0.0706","","","0.1523","0.1602","","","","","","1.118","","","","has coordinates","233856","2020-10-21","18:00:00",""
"4349326","9.8485","0.0012","11.0976","0.0013","13.4088","0.0016","71.44","0.002","85.071","0.002","71.243","0.002","1315.3","0.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C52 H70 N2 O4 S4 Sn2 -","- C52 H70 N2 O4 S4 Sn2 -","- C52 H70 N2 O4 S4 Sn2 -","1","0.5","","Torres-Huerta, Aaron; Cruz-Huerta, Jorge; Höpfl, Herbert; Hernández-Vázquez, Luis G; Escalante-García, Jaime; Jiménez-Sánchez, Arturo; Santillan, Rosa; Hernández-Ahuactzi, Irán F; Sánchez, Mario","Variation of the Molecular Conformation, Shape, and Cavity Size in Dinuclear Metalla-Macrocycles Containing Hetero-Ditopic Dithiocarbamate-Carboxylate Ligands from a Homologous Series of N-Substituted Amino Acids.","Inorganic chemistry","2016","55","23","12451","12469","10.1021/acs.inorgchem.6b02387","","","0.71073","MoKα","","0.0375","0.0321","","","0.071","0.0814","","","","","","1.068","","","","has coordinates","233858","2020-10-21","18:00:00",""
"4349327","14.3062","0.0004","14.7789","0.0005","21.4417","0.0006","70.19","0.003","73.377","0.003","75.105","0.003","4021.9","0.2","173","2","173","2","","","","","","","","10","P -1","-P 1","2","","","","- C80.5 H65 Au Cl8 N2 O6 P3 Re Ru S -","- C77 H58 Au Cl N2 O6 P3 Re Ru S -","- C154 H116 Au2 Cl2 N4 O12 P6 Re2 Ru2 S2 -","2","1","","Robson, Jonathan A.; Gonzàlez de Rivera, Ferran; Jantan, Khairil A.; Wenzel, Margot N.; White, Andrew J. P.; Rossell, Oriol; Wilton-Ely, James D E T","Bifunctional Chalcogen Linkers for the Stepwise Generation of Multimetallic Assemblies and Functionalized Nanoparticles.","Inorganic chemistry","2016","55","24","12982","12996","10.1021/acs.inorgchem.6b02409","","","0.71073","MoKα","","0.071","0.0434","","","0.0909","0.1036","","","","","","1.021","","","","has coordinates,has disorder","233860","2020-10-21","18:00:00",""
"4349333","15.5162","0.0015","17.9072","0.0017","21.091","0.002","74.887","0.002","76.28","0.002","87.935","0.002","5494","0.9","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C100 H194 Al3 Mg3 N15 -","- C100 H194 Al3 Mg3 N15 -","- C200 H388 Al6 Mg6 N30 -","2","1","","Schnitzler, Silvia; Spaniol, Thomas P.; Okuda, Jun","Reactivity of a Molecular Magnesium Hydride Featuring a Terminal Magnesium-Hydrogen Bond.","Inorganic chemistry","2016","55","24","12997","13006","10.1021/acs.inorgchem.6b02509","","","0.71073","MoKα","","0.0791","0.0552","","","0.136","0.1508","","","","","","1.05","","","","has coordinates,has disorder","233866","2020-10-21","18:00:00",""
"4349334","17.0436","0.0016","16.876","0.0016","9.3311","0.0009","90","","90","","90","","2683.9","0.4","100","2","100","2","","","","","","","","6","P 21 21 2","P 2 2ab","18","","","","- C46 H104 Al2 Mg2 N8 O -","- C46 H104 Al2 Mg2 N8 O -","- C92 H208 Al4 Mg4 N16 O2 -","2","0.5","","Schnitzler, Silvia; Spaniol, Thomas P.; Okuda, Jun","Reactivity of a Molecular Magnesium Hydride Featuring a Terminal Magnesium-Hydrogen Bond.","Inorganic chemistry","2016","55","24","12997","13006","10.1021/acs.inorgchem.6b02509","","","0.71073","MoKα","","0.0433","0.0382","","","0.0906","0.0934","","","","","","1.163","","","","has coordinates","233866","2020-10-21","18:00:00",""
"4349335","22.437","0.004","16.062","0.003","32.482","0.005","90","","90","","90","","11706","4","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C24 H53 Al Mg N4 O2 -","- C24 H53 Al Mg N4 O2 -","- C384 H848 Al16 Mg16 N64 O32 -","16","2","","Schnitzler, Silvia; Spaniol, Thomas P.; Okuda, Jun","Reactivity of a Molecular Magnesium Hydride Featuring a Terminal Magnesium-Hydrogen Bond.","Inorganic chemistry","2016","55","24","12997","13006","10.1021/acs.inorgchem.6b02509","","","0.71073","MoKα","","0.1355","0.0648","","","0.1323","0.1545","","","","","","1.017","","","","has coordinates","233866","2020-10-21","18:00:00",""
"4349336","10.861","0.002","11.054","0.002","20.918","0.004","98.482","0.004","90.449","0.004","117.07","0.003","2203.8","0.7","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C45 H76 Al B Mg N4 O -","- C45 H76 Al B Mg N4 O -","- C90 H152 Al2 B2 Mg2 N8 O2 -","2","1","","Schnitzler, Silvia; Spaniol, Thomas P.; Okuda, Jun","Reactivity of a Molecular Magnesium Hydride Featuring a Terminal Magnesium-Hydrogen Bond.","Inorganic chemistry","2016","55","24","12997","13006","10.1021/acs.inorgchem.6b02509","","","0.71073","MoKα","","0.1041","0.0681","","","0.158","0.1694","","","","","","1.29","","","","has coordinates","233866","2020-10-21","18:00:00",""
"4349337","8.3425","0.0007","11.9337","0.0015","21.6641","0.0018","90","","90","","90","","2156.8","0.4","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C10 H12 Cu3 N13 O5 -","- C10 H12 Cu3 N13 O5 -","- C40 H48 Cu12 N52 O20 -","4","1","","Liu, Juan; Wang, Fei; Ding, Qing-Rong; Zhang, Jian","Synthesis of an Enantipure Tetrazole-Based Homochiral Cu<sup>I,II</sup>-MOF for Enantioselective Separation.","Inorganic chemistry","2016","55","24","12520","12522","10.1021/acs.inorgchem.6b02514","","","1.54184","CuKα","","0.0698","0.0608","","","0.1753","0.1868","","","","","","1.076","","","","has coordinates","233868","2020-10-21","18:00:00",""
"4349338","42.164","0.009","20.815","0.004","7.478","0.0015","90","","90","","90","","6563","2","100","0.2","100","0.2","","","","","","","","5","F d d 2","F 2 -2d","43","","","","- C15 H15 N3 O7 Ti -","- C15 H15 N3 O7 Ti -","- C240 H240 N48 O112 Ti16 -","16","1","","Kim, Bongsu; Oh, Seung-Jin; Jo, Hongil; Ok, Kang Min","A Polar Titanium-Organic Chain with a Very Large Second-Harmonic-Generation Response.","Inorganic chemistry","2016","55","22","11635","11638","10.1021/acs.inorgchem.6b02536","","x-ray","0.7","","","0.1089","0.0899","","","0.2548","0.2769","","","","","","1.074","","","","has coordinates","233869","2020-10-21","18:00:00",""
"4349339","24.472","0.004","14.682","0.002","39.942","0.006","90","","90","","90","","14351","4","100","2","100","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C80 H104 Mg2 N10 -","- C80 H104 Mg2 N10 -","- C640 H832 Mg16 N80 -","8","2","","Dhamija, Avinash; Ikbal, Sk Asif; Rath, Sankar Prasad","Induction and Rationalization of Supramolecular Chirality in the Tweezer-Diamine Complexes: Insights from Experimental and DFT Studies.","Inorganic chemistry","2016","55","24","13014","13026","10.1021/acs.inorgchem.6b02544","","","0.71073","MoKα","","0.2108","0.0838","","","0.1299","0.1811","","","","","","0.987","","","","has coordinates","233871","2020-10-21","18:00:00",""
"4349340","13.5777","0.0009","14.3089","0.001","22.2385","0.0015","84.186","0.002","72.658","0.001","63.291","0.001","3681.4","0.4","100","2","100","2","","","","","","","","5","P 1","P 1","1","","","","- C82 H92 Mg2 N10 O -","- C82 H92 Mg2 N10 O -","- C164 H184 Mg4 N20 O2 -","2","2","","Dhamija, Avinash; Ikbal, Sk Asif; Rath, Sankar Prasad","Induction and Rationalization of Supramolecular Chirality in the Tweezer-Diamine Complexes: Insights from Experimental and DFT Studies.","Inorganic chemistry","2016","55","24","13014","13026","10.1021/acs.inorgchem.6b02544","","","0.71073","MoKα","","0.122","0.0705","","","0.1431","0.1654","","","","","","1.02","","","","has coordinates,has disorder","233872","2020-10-21","18:00:00",""
"4349341","38.968","0.005","14.133","0.001","25.105","0.002","90","","94.689","0.009","90","","13780","2","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C99.45 F48 N S0.91 Y -","- C99.422 F48 N S0.9083 Y -","- C795.376 F384 N8 S7.2664 Y8 -","8","1","","Jin, Fei; Wang, Song; Yang, Shangfeng; Tamm, Nadezhda B.; Ioffe, Ilya N.; Troyanov, Sergey I.","Trifluoromethyl Derivatives of a Monometallic Cyanide Cluster Fullerene, YCN@C<sub>82</sub>(6)(CF<sub>3</sub>)<sub>16/18</sub>.","Inorganic chemistry","2016","55","24","12523","12526","10.1021/acs.inorgchem.6b02556","","","0.895","synchrotron","","0.1326","0.0588","","","0.1282","0.1523","","","","","","1.02","","","","has coordinates","233875","2020-10-21","18:00:00",""
"4349342","24.052","0.002","33.256","0.003","23.779","0.001","90","","90","","90","","19020","2","100","2","100","2","","","","","","","","6","C m c e","-C 2ac 2","64","","","","- C103.1 H1.4 Cl0.7 F54 N Y -","- C101 Cl0.7 F54 N Y -","- C808 Cl5.6 F432 N8 Y8 -","8","0.5","","Jin, Fei; Wang, Song; Yang, Shangfeng; Tamm, Nadezhda B.; Ioffe, Ilya N.; Troyanov, Sergey I.","Trifluoromethyl Derivatives of a Monometallic Cyanide Cluster Fullerene, YCN@C<sub>82</sub>(6)(CF<sub>3</sub>)<sub>16/18</sub>.","Inorganic chemistry","2016","55","24","12523","12526","10.1021/acs.inorgchem.6b02556","","","0.895","synchrotron","","0.1836","0.1191","","","0.2756","0.2898","","","","","","1.532","","","","has coordinates","233877","2020-10-21","18:00:00",""
"4349343","13.6015","0.0008","7.9204","0.0005","22.5448","0.0013","90","","103.904","0.002","90","","2357.6","0.2","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C14 H8 Cl N4 O3 Re S -","- C14 H8 Cl N4 O3 Re S -","- C56 H32 Cl4 N16 O12 Re4 S4 -","4","1","","Osinski, Allen J.; Blesener, Tanner; Hasheminasab, Abed; Holstrom, Cole; Nemykin, Victor N.; Herrick, Richard S.; Ziegler, Christopher J.","Re(CO)<sub>3</sub>-Templated Synthesis of Semihemiporphyrazines.","Inorganic chemistry","2016","55","24","12527","12530","10.1021/acs.inorgchem.6b02558","","","1.54178","CuKα","","0.0496","0.0475","","","0.127","0.1289","","","","","","1.109","","","","has coordinates","233879","2020-10-21","18:00:00",""
"4349344","11.2046","0.001","14.4386","0.0014","14.7316","0.0013","68.906","0.003","79.798","0.003","79.828","0.004","2171.8","0.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C22 H19 Cl N5 O4 Re -","- C22 H19 Cl N5 O4 Re -","- C88 H76 Cl4 N20 O16 Re4 -","4","2","","Osinski, Allen J.; Blesener, Tanner; Hasheminasab, Abed; Holstrom, Cole; Nemykin, Victor N.; Herrick, Richard S.; Ziegler, Christopher J.","Re(CO)<sub>3</sub>-Templated Synthesis of Semihemiporphyrazines.","Inorganic chemistry","2016","55","24","12527","12530","10.1021/acs.inorgchem.6b02558","","","1.54178","CuKα","","0.0261","0.0245","","","0.0626","0.0647","","","","","","1.035","","","","has coordinates","233879","2020-10-21","18:00:00",""
"4349345","13.82","0.008","13.687","0.008","21.516","0.016","90","","93.216","0.005","90","","4063","5","100","2","100","2","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C20 H18 Cl N4 O4 Re -","- C20 H18 Cl N4 O4 Re -","- C160 H144 Cl8 N32 O32 Re8 -","8","1","","Osinski, Allen J.; Blesener, Tanner; Hasheminasab, Abed; Holstrom, Cole; Nemykin, Victor N.; Herrick, Richard S.; Ziegler, Christopher J.","Re(CO)<sub>3</sub>-Templated Synthesis of Semihemiporphyrazines.","Inorganic chemistry","2016","55","24","12527","12530","10.1021/acs.inorgchem.6b02558","","","0.71073","MoKα","","0.0333","0.0296","","","0.073","0.0753","","","","","","1.097","","","","has coordinates","233879","2020-10-21","18:00:00",""
"4349346","7.5308","0.0005","10.2739","0.0007","13.1559","0.0009","80.679","0.003","85.321","0.004","89.679","0.004","1001.06","0.12","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C18 H16 Br N4 O4 Re S -","- C18 H16 Br N4 O4 Re S -","- C36 H32 Br2 N8 O8 Re2 S2 -","2","1","","Osinski, Allen J.; Blesener, Tanner; Hasheminasab, Abed; Holstrom, Cole; Nemykin, Victor N.; Herrick, Richard S.; Ziegler, Christopher J.","Re(CO)<sub>3</sub>-Templated Synthesis of Semihemiporphyrazines.","Inorganic chemistry","2016","55","24","12527","12530","10.1021/acs.inorgchem.6b02558","","","0.71073","MoKα","","0.045","0.0406","","","0.0957","0.0986","","","","","","1.042","","","","has coordinates","233879","2020-10-21","18:00:00",""
"4349347","25.0765","0.0012","13.8489","0.0007","13.825","0.0008","90","","120.778","0.002","90","","4125","0.4","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C20 H18 Br N4 O4 Re -","- C20 H18 Br N4 O4 Re -","- C160 H144 Br8 N32 O32 Re8 -","8","1","","Osinski, Allen J.; Blesener, Tanner; Hasheminasab, Abed; Holstrom, Cole; Nemykin, Victor N.; Herrick, Richard S.; Ziegler, Christopher J.","Re(CO)<sub>3</sub>-Templated Synthesis of Semihemiporphyrazines.","Inorganic chemistry","2016","55","24","12527","12530","10.1021/acs.inorgchem.6b02558","","","1.54178","CuKα","","0.0287","0.0258","","","0.0623","0.0643","","","","","","1.043","","","","has coordinates","233879","2020-10-21","18:00:00",""
"4349348","10.33293","0.00013","13.35619","0.00019","18.9458","0.0002","90","","96.295","0.0012","90","","2598.92","0.06","110.05","0.1","110.05","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C24 H30 Cl2 Ir2 N4 O -","- C24 H30 Cl2 Ir2 N4 O -","- C96 H120 Cl8 Ir8 N16 O4 -","4","1","","Iali, Wissam; Green, Gary G. R.; Hart, Sam J.; Whitwood, Adrian C.; Duckett, Simon B.","Iridium Cyclooctene Complex That Forms a Hyperpolarization Transfer Catalyst before Converting to a Binuclear C-H Bond Activation Product Responsible for Hydrogen Isotope Exchange.","Inorganic chemistry","2016","55","22","11639","11643","10.1021/acs.inorgchem.6b02560","","x-ray","0.7107","MoKα","","0.0332","0.0283","","","0.0631","0.0654","","","","","","1.116","","","","has coordinates","233882","2020-10-21","18:00:00",""
"4349349","39.287","0.002","12.3049","0.0007","8.9973","0.0005","90","","94.218","0.006","90","","4337.7","0.4","110.05","0.1","110.05","0.1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C18 H26 Cl Ir N2 -","- C18 H26 Cl Ir N2 -","- C144 H208 Cl8 Ir8 N16 -","8","1","","Iali, Wissam; Green, Gary G. R.; Hart, Sam J.; Whitwood, Adrian C.; Duckett, Simon B.","Iridium Cyclooctene Complex That Forms a Hyperpolarization Transfer Catalyst before Converting to a Binuclear C-H Bond Activation Product Responsible for Hydrogen Isotope Exchange.","Inorganic chemistry","2016","55","22","11639","11643","10.1021/acs.inorgchem.6b02560","","x-ray","1.54184","CuKα","","0.0771","0.0727","","","0.1612","0.1639","","","","","","1.081","","","","has coordinates,has disorder","233884","2020-10-21","18:00:00",""
"4349350","16.4575","0.0004","17.2962","0.0004","22.7986","0.0005","90","","90","","90","","6489.7","0.3","110.05","0.1","110.05","0.1","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C32 H44 F6 Ir N2 P -","- C32 H44 F6 Ir N2 P -","- C256 H352 F48 Ir8 N16 P8 -","8","1","","Iali, Wissam; Green, Gary G. R.; Hart, Sam J.; Whitwood, Adrian C.; Duckett, Simon B.","Iridium Cyclooctene Complex That Forms a Hyperpolarization Transfer Catalyst before Converting to a Binuclear C-H Bond Activation Product Responsible for Hydrogen Isotope Exchange.","Inorganic chemistry","2016","55","22","11639","11643","10.1021/acs.inorgchem.6b02560","","x-ray","1.54184","CuKα","","0.0426","0.0293","","","0.0715","0.0783","","","","","","1.008","","","","has coordinates,has disorder","233886","2020-10-21","18:00:00",""
"4349361","41.393","0.002","41.393","0.002","41.393","0.002","90","","90","","90","","70922","6","296","2","296","2","","","","","","","","5","F d -3 :2","-F 2uv 2vw 3","203","","","","- C16 H12 N20 O8 Zn3 -","- C16 H12 N20 O8 Zn3 -","- C768 H576 N960 O384 Zn144 -","48","0.5","","Jiang, Zhi-Qiang; Wang, Fei; Zhang, Jian","Adsorption of Iodine Based on a Tetrazolate Framework with Microporous Cages and Mesoporous Cages.","Inorganic chemistry","2016","55","24","13035","13038","10.1021/acs.inorgchem.6b02696","","","0.71073","MoKα","","0.1625","0.1444","","","0.4236","0.4438","","","","","","1.909","","","","has coordinates","233895","2020-10-21","18:00:00",""
"4349451","24.031","0.003","24.031","0.003","45.282","0.009","90","","90","","90","","26150","7","100","2","100","2","","","","","","","","7","I 41/a c d :2","-I 4bd 2c","142","{Na}{(PNP)Ni(CO)}","","","- C62 H96 N2 Na2 Ni2 O4 P4 -","- C62 H96 N2 Na2 Ni2 O4 P4 -","- C992 H1536 N32 Na32 Ni32 O64 P64 -","16","0.5","","Yoo, Changho; Lee, Yunho","Formation of a tetranickel octacarbonyl cluster from the CO2 reaction of a zero-valent nickel monocarbonyl species","Inorganic Chemistry Frontiers","2016","3","6","849","","10.1039/C6QI00011H","","","0.7","synchrotron","","0.0308","0.0306","","","0.0871","0.0874","","","","","","1.049","","","","has coordinates","234787","2020-10-21","18:00:00",""
"4349452","21.043","0.002","21.043","0.002","15.647","0.0014","90","","90","","90","","6928.6","1.1","120","2","120","2","","","","","","","","7","I -4","I -4","82","{(PNCOONaP)Ni(CO)2}4","","","- C116 H160 N4 Na4 Ni4 O16 P8 -","- C116 H160 N4 Na4 Ni4 O16 P8 -","- C232 H320 N8 Na8 Ni8 O32 P16 -","2","0.25","","Yoo, Changho; Lee, Yunho","Formation of a tetranickel octacarbonyl cluster from the CO2 reaction of a zero-valent nickel monocarbonyl species","Inorganic Chemistry Frontiers","2016","3","6","849","","10.1039/C6QI00011H","","","0.71073","MoKα","","0.0984","0.067","","","0.1477","0.1607","","","","","","1.043","","","","has coordinates","234787","2020-10-21","18:00:00",""
"4349453","15.7516","0.0015","9.8103","0.0009","18.1748","0.0017","90","","95.239","0.003","90","","2796.8","0.5","120","2","120","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","(PNP)Ni(CO)","","","- C27 H40 N Ni O P2 -","- C27 H40 N Ni O P2 -","- C108 H160 N4 Ni4 O4 P8 -","4","1","","Yoo, Changho; Lee, Yunho","Formation of a tetranickel octacarbonyl cluster from the CO2 reaction of a zero-valent nickel monocarbonyl species","Inorganic Chemistry Frontiers","2016","3","6","849","","10.1039/C6QI00011H","","","0.71073","MoKα","","0.0826","0.0586","","","0.174","0.1892","","","","","","1.331","","","","has coordinates","234787","2020-10-21","18:00:00",""
"4349454","10.9465","0.0003","12.388","0.0003","14.3038","0.0004","101.893","0.001","96.763","0.001","96.926","0.001","1863.77","0.09","120","2","120","2","","","","","","","","7","P -1","-P 1","2","{(PNP)NiCOONa}2(THF)","","","- C70 H112 N2 Na2 Ni2 O8 P4 -","- C70 H112 N2 Na2 Ni2 O8 P4 -","- C70 H112 N2 Na2 Ni2 O8 P4 -","1","0.5","","Yoo, Changho; Lee, Yunho","Formation of a tetranickel octacarbonyl cluster from the CO2 reaction of a zero-valent nickel monocarbonyl species","Inorganic Chemistry Frontiers","2016","3","6","849","","10.1039/C6QI00011H","","","0.71073","MoKα","","0.0528","0.0364","","","0.0906","0.1028","","","","","","1.037","","","","has coordinates","289268","2024-02-02","08:58:43",""
"4349455","12.8027","0.0009","24.6644","0.0018","17.9274","0.0013","90","","105.769","0.002","90","","5447.9","0.7","120","2","120","2","","","","","","","","6","C 1 c 1","C -2yc","9","{(PNP)Ni}2(CO3)","","","- C53 H80 N2 Ni2 O3 P4 -","- C53 H80 N2 Ni2 O3 P4 -","- C212 H320 N8 Ni8 O12 P16 -","4","1","","Yoo, Changho; Lee, Yunho","Formation of a tetranickel octacarbonyl cluster from the CO2 reaction of a zero-valent nickel monocarbonyl species","Inorganic Chemistry Frontiers","2016","3","6","849","","10.1039/C6QI00011H","","","0.71073","MoKα","","0.1087","0.0824","","","0.1897","0.2084","","","","","","1.179","","","","has coordinates,has disorder","234787","2020-10-21","18:00:00",""
"4349456","27.841","0.006","7.5266","0.0015","17.413","0.003","90","","90","","90","","3648.9","1.2","293","2","293","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C17 H15 N3 O9 Zn -","- C18 H11 N3 O9 Zn -","- C144 H88 N24 O72 Zn8 -","8","1","","Zhang, Chenghui; Sun, Libo; Zhang, Chuanqi; Wan, Song; Liang, Zhiqiang; Li, Jiyang","Novel photo- and/or thermochromic MOFs derived from bipyridinium carboxylate ligands","Inorganic Chemistry Frontiers","2016","3","6","814","","10.1039/C6QI00013D","","","0.71073","MoKα","","0.081","0.0577","","","0.147","0.1598","","","","","","1.058","","","","has coordinates","234790","2020-10-21","18:00:00",""
"4349457","9.6695","0.0019","10.135","0.003","10.898","0.002","86.47","0.03","89.99","0.03","62.48","0.02","944.9","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H17 N3 O10 Zn -","- C18 H11 N3 O10 Zn -","- C36 H22 N6 O20 Zn2 -","2","1","","Zhang, Chenghui; Sun, Libo; Zhang, Chuanqi; Wan, Song; Liang, Zhiqiang; Li, Jiyang","Novel photo- and/or thermochromic MOFs derived from bipyridinium carboxylate ligands","Inorganic Chemistry Frontiers","2016","3","6","814","","10.1039/C6QI00013D","","","0.71073","MoKα","","0.0453","0.0375","","","0.1055","0.1144","","","","","","1.085","","","","has coordinates","234790","2020-10-21","18:00:00",""
"4349458","11.392","0.002","8.2764","0.0016","12.051","0.002","90","","100.915","0.003","90","","1115.7","0.3","140","2","140","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C13 H14 B Er -","- C13 H14 B Er -","- C52 H56 B4 Er4 -","4","1","","Meng, Yin-Shan; Wang, Chun-Hong; Zhang, Yi-Quan; Leng, Xue-Bing; Wang, Bing-Wu; Chen, Yao-Feng; Gao, Song","(Boratabenzene)(cyclooctatetraenyl) lanthanide complexes: a new type of organometallic single-ion magnet","Inorganic Chemistry Frontiers","2016","3","6","828","","10.1039/C6QI00028B","","","0.71073","MoKα","","0.0657","0.0528","","","0.1477","0.1596","","","","","","1.038","","","","has coordinates","234793","2020-10-21","18:00:00",""
"4349459","12.4425","0.0017","8.8385","0.0012","11.5467","0.0016","90","","98.198","0.002","90","","1256.8","0.3","133","2","133","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H16 B Er -","- C14 H16 B Er -","- C56 H64 B4 Er4 -","4","1","","Meng, Yin-Shan; Wang, Chun-Hong; Zhang, Yi-Quan; Leng, Xue-Bing; Wang, Bing-Wu; Chen, Yao-Feng; Gao, Song","(Boratabenzene)(cyclooctatetraenyl) lanthanide complexes: a new type of organometallic single-ion magnet","Inorganic Chemistry Frontiers","2016","3","6","828","","10.1039/C6QI00028B","","","0.71073","MoKα","","0.0231","0.0195","","","0.0482","0.0497","","","","","","1.051","","","","has coordinates","234793","2020-10-21","18:00:00",""
"4349460","17.008","0.004","8.486","0.002","11.489","0.003","90","","101.257","0.004","90","","1626.3","0.7","133","2","133","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C17 H23 B Er N -","- C17 H23 B Er N -","- C68 H92 B4 Er4 N4 -","4","1","","Meng, Yin-Shan; Wang, Chun-Hong; Zhang, Yi-Quan; Leng, Xue-Bing; Wang, Bing-Wu; Chen, Yao-Feng; Gao, Song","(Boratabenzene)(cyclooctatetraenyl) lanthanide complexes: a new type of organometallic single-ion magnet","Inorganic Chemistry Frontiers","2016","3","6","828","","10.1039/C6QI00028B","","","0.71073","MoKα","","0.0494","0.0433","","","0.1419","0.149","","","","","","1.023","","","","has coordinates","234793","2020-10-21","18:00:00",""
"4349461","11.484","0.007","8.335","0.005","12.088","0.008","90","","100.697","0.011","90","","1136.9","1.2","140","2","140","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C13 H14 B Dy -","- C13 H14 B Dy -","- C52 H56 B4 Dy4 -","4","1","","Meng, Yin-Shan; Wang, Chun-Hong; Zhang, Yi-Quan; Leng, Xue-Bing; Wang, Bing-Wu; Chen, Yao-Feng; Gao, Song","(Boratabenzene)(cyclooctatetraenyl) lanthanide complexes: a new type of organometallic single-ion magnet","Inorganic Chemistry Frontiers","2016","3","6","828","","10.1039/C6QI00028B","","","0.71073","MoKα","","0.1277","0.0724","","","0.1759","0.2269","","","","","","1.01","","","","has coordinates","234793","2020-10-21","18:00:00",""
"4349462","12.4412","0.0012","8.863","0.0008","11.6155","0.0011","90","","97.989","0.001","90","","1268.4","0.2","143","2","143","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H16 B Dy -","- C14 H16 B Dy -","- C56 H64 B4 Dy4 -","4","1","","Meng, Yin-Shan; Wang, Chun-Hong; Zhang, Yi-Quan; Leng, Xue-Bing; Wang, Bing-Wu; Chen, Yao-Feng; Gao, Song","(Boratabenzene)(cyclooctatetraenyl) lanthanide complexes: a new type of organometallic single-ion magnet","Inorganic Chemistry Frontiers","2016","3","6","828","","10.1039/C6QI00028B","","","0.71073","MoKα","","0.0187","0.0157","","","0.0383","0.0393","","","","","","1.11","","","","has coordinates","234793","2020-10-21","18:00:00",""
"4349463","16.956","0.003","8.5607","0.0013","11.4844","0.0018","90","","101.187","0.003","90","","1635.3","0.5","133","2","133","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C17 H23 B Dy N -","- C17 H23 B Dy N -","- C68 H92 B4 Dy4 N4 -","4","1","","Meng, Yin-Shan; Wang, Chun-Hong; Zhang, Yi-Quan; Leng, Xue-Bing; Wang, Bing-Wu; Chen, Yao-Feng; Gao, Song","(Boratabenzene)(cyclooctatetraenyl) lanthanide complexes: a new type of organometallic single-ion magnet","Inorganic Chemistry Frontiers","2016","3","6","828","","10.1039/C6QI00028B","","","0.71073","MoKα","","0.0521","0.0465","","","0.1179","0.122","","","","","","1.022","","","","has coordinates","234793","2020-10-21","18:00:00",""
"4349464","16.957","0.006","8.521","0.003","11.457","0.004","90","","101.196","0.006","90","","1623.9","1","140","2","140","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C17 H23 B N Y -","- C17 H23 B N Y -","- C68 H92 B4 N4 Y4 -","4","1","","Meng, Yin-Shan; Wang, Chun-Hong; Zhang, Yi-Quan; Leng, Xue-Bing; Wang, Bing-Wu; Chen, Yao-Feng; Gao, Song","(Boratabenzene)(cyclooctatetraenyl) lanthanide complexes: a new type of organometallic single-ion magnet","Inorganic Chemistry Frontiers","2016","3","6","828","","10.1039/C6QI00028B","","","0.71073","MoKα","","0.1095","0.0589","","","0.1285","0.1495","","","","","","0.99","","","","has coordinates","234793","2020-10-21","18:00:00",""
"4349465","26.982","0.013","8.033","0.004","23.293","0.012","90","","98.992","0.009","90","","4987","4","293","1","293","1","","","","","","","","6","C 1 2/c 1","-C 2yc","15","pcj031","","","- C22.5 H18.5 Cd0.15 N2.5 O5.5 Zn0.85 -","- C22.5 H18.5 Cd0.15 N2.5 O5.5 Zn0.85 -","- C180 H148 Cd1.2 N20 O44 Zn6.8 -","8","1","","Masoomi, Mohammad Yaser; Bagheri, Minoo; Morsali, Ali; Junk, Peter C.","High photodegradation efficiency of phenol by mixed-metal‒organic frameworks","Inorganic Chemistry Frontiers","2016","3","7","944","","10.1039/C6QI00067C","","","0.71073","MoKα","","0.1215","0.0821","","","0.2028","0.2243","","","","","","1.079","","","","has coordinates","234795","2020-10-21","18:00:00",""
"4349466","27.221","0.007","8.104","0.0019","23.537","0.006","90","","98.906","0.004","90","","5130","2","298","","298","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C21 H15 Cd0.3 N2 O5 Zn0.7 -","- C21 H15 Cd0.3 N2 O5 Zn0.7 -","- C168 H120 Cd2.4 N16 O40 Zn5.6 -","8","1","","Masoomi, Mohammad Yaser; Bagheri, Minoo; Morsali, Ali; Junk, Peter C.","High photodegradation efficiency of phenol by mixed-metal‒organic frameworks","Inorganic Chemistry Frontiers","2016","3","7","944","","10.1039/C6QI00067C","","","0.71073","MoKα","","0.0718","0.0503","","","0.1357","0.1432","","","","","","0.952","","","","has coordinates,has disorder","234795","2020-10-21","18:00:00",""
"4349467","9.5711","0.0008","12.438","0.001","26.565","0.002","90","","90.493","0.004","90","","3162.3","0.4","180","2","180","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C31 H29 Cd N5 O6 -","- C31 H29 Cd N5 O6 -","- C124 H116 Cd4 N20 O24 -","4","1","","Masoomi, Mohammad Yaser; Bagheri, Minoo; Morsali, Ali; Junk, Peter C.","High photodegradation efficiency of phenol by mixed-metal‒organic frameworks","Inorganic Chemistry Frontiers","2016","3","7","944","","10.1039/C6QI00067C","","","0.71073","MoKα","","0.07","0.0673","","","0.1545","0.1558","","","","","","1.241","","","","has coordinates,has disorder","234795","2020-10-21","18:00:00",""
"4349468","12.5947","0.0002","15.1874","0.0003","21.5308","0.0004","90","","92.498","0.002","90","","4114.51","0.13","183","2","183","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C40 H39 N9 O15 Zn2 -","- C40 H39 N9 O15 Zn2 -","- C160 H156 N36 O60 Zn8 -","4","1","","Ni, Lubin; Wang, Juan; Liu, Chang; Fan, Jinhong; Sun, Yun; Zhou, Zhaohui; Diao, Guowang","An asymmetric binuclear zinc(ii) complex with mixed iminodiacetate and phenanthroline ligands: synthesis, characterization, structural conversion and anticancer properties","Inorganic Chemistry Frontiers","2016","3","7","959","","10.1039/C6QI00072J","","","0.71073","MoKα","","0.0538","0.032","","","0.0603","0.0631","","","","","","0.946","","","","has coordinates","234797","2020-10-21","18:00:00",""
"4349469","13.8259","0.001","13.8259","0.001","68.225","0.01","90","","90","","120","","11294","2","150","2","150","2","","","","","","","","7","R -3 c :H","-R 3 2""c","167","","","","- C79 H74 Cu3 F12 N12 O5 P2 -","- C79 H72 Cu3 F12 N12 O3 P2 -","- C474 H432 Cu18 F72 N72 O18 P12 -","6","0.166667","","Porwol, Luzian; Henson, Alon; Kitson, Philip J.; Long, De-Liang; Cronin, Leroy","On the fly multi-modal observation of ligand synthesis and complexation of Cu complexes in flow with ‘benchtop’ NMR and mass spectrometry","Inorganic Chemistry Frontiers","2016","3","7","919","","10.1039/C6QI00079G","","","0.71073","MoKα","","0.091","0.044","","","0.11","0.141","","","","","","1.056","","","","has coordinates,has disorder","234800","2020-10-21","18:00:00",""
"4349470","11.5185","0.0008","18.7898","0.0014","19.2943","0.0014","90","","90","","90","","4175.9","0.5","150","2","150","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C44 H41 B2 Cu F8 N7 -","- C44 H41 B2 Cu F8 N7 -","- C176 H164 B8 Cu4 F32 N28 -","4","1","","Porwol, Luzian; Henson, Alon; Kitson, Philip J.; Long, De-Liang; Cronin, Leroy","On the fly multi-modal observation of ligand synthesis and complexation of Cu complexes in flow with ‘benchtop’ NMR and mass spectrometry","Inorganic Chemistry Frontiers","2016","3","7","919","","10.1039/C6QI00079G","","","0.71073","MoKα","","0.038","0.033","","","0.084","0.086","","","","","","1.03","","","","has coordinates","234800","2020-10-21","18:00:00",""
"4349471","10.9622","0.0005","11.7396","0.0006","18.0232","0.0009","72.041","0.002","80.116","0.002","62.834","0.002","1961.73","0.17","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C42 H38 B2 Cu2 F8 N6 -","- C42 H38 B2 Cu2 F8 N6 -","- C84 H76 B4 Cu4 F16 N12 -","2","1","","Porwol, Luzian; Henson, Alon; Kitson, Philip J.; Long, De-Liang; Cronin, Leroy","On the fly multi-modal observation of ligand synthesis and complexation of Cu complexes in flow with ‘benchtop’ NMR and mass spectrometry","Inorganic Chemistry Frontiers","2016","3","7","919","","10.1039/C6QI00079G","","","0.71073","MoKα","","0.0505","0.0396","","","0.0974","0.1042","","","","","","1.028","","","","has coordinates","234800","2020-10-21","18:00:00",""
"4349472","7.56","0.0006","20.2225","0.0016","16.4909","0.0012","90","","94.726","0.005","90","","2512.6","0.3","150","2","150","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C53 H48 B2 Cu2 F8 N8 O3 -","- C53 H48 B2 Cu2 F8 N8 O3 -","- C106 H96 B4 Cu4 F16 N16 O6 -","2","0.5","","Porwol, Luzian; Henson, Alon; Kitson, Philip J.; Long, De-Liang; Cronin, Leroy","On the fly multi-modal observation of ligand synthesis and complexation of Cu complexes in flow with ‘benchtop’ NMR and mass spectrometry","Inorganic Chemistry Frontiers","2016","3","7","919","","10.1039/C6QI00079G","","","0.71073","MoKα","","0.111","0.078","","","0.155","0.166","","","","","","1.325","","","","has coordinates","234800","2020-10-21","18:00:00",""
"4349473","14.4435","0.0009","17.3551","0.0011","18.0251","0.0012","92.765","0.002","104.869","0.002","96.595","0.002","4323.9","0.5","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C61 H129 Dy2 Fe4 N11 O26 -","- C61 H129 Dy2 Fe4 N11 O26 -","- C122 H258 Dy4 Fe8 N22 O52 -","2","1","","Baca, S. G.; van Leusen, J.; Speldrich, M.; Kögerler, P.","Understanding the magnetism of {Fe2Ln} dimers, step-by-step","Inorganic Chemistry Frontiers","2016","3","8","1071","","10.1039/C6QI00095A","","","0.71073","MoKα","","0.0746","0.0548","","","0.1246","0.137","","","","","","1.028","","","","has coordinates,has disorder","234803","2020-10-21","18:00:00",""
"4349474","14.423","0.004","17.383","0.005","18.109","0.005","92.839","0.007","104.682","0.007","96.704","0.007","4347","2","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C61 H129 Fe4 N11 O26 Y2 -","- C57 H115 Fe4 N11 O24 Y2 -","- C114 H230 Fe8 N22 O48 Y4 -","2","1","","Baca, S. G.; van Leusen, J.; Speldrich, M.; Kögerler, P.","Understanding the magnetism of {Fe2Ln} dimers, step-by-step","Inorganic Chemistry Frontiers","2016","3","8","1071","","10.1039/C6QI00095A","","","0.71073","MoKα","","0.1165","0.0725","","","0.1719","0.1896","","","","","","1.028","","","","has coordinates,has disorder","234803","2020-10-21","18:00:00",""
"4349475","15.278","0.002","16.228","0.003","16.672","0.003","88.375","0.002","89.375","0.002","82.96","0.002","4100.6","1.2","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C58 H124 Fe4 Gd2 N12 O27 -","- C58 H124 Fe4 Gd2 N12 O27 -","- C116 H248 Fe8 Gd4 N24 O54 -","2","1","","Baca, S. G.; van Leusen, J.; Speldrich, M.; Kögerler, P.","Understanding the magnetism of {Fe2Ln} dimers, step-by-step","Inorganic Chemistry Frontiers","2016","3","8","1071","","10.1039/C6QI00095A","","","0.71073","MoKα","","0.075","0.066","","","0.1677","0.1734","","","","","","1.032","","","","has coordinates","234803","2020-10-21","18:00:00",""
"4349476","15.269","0.002","16.216","0.002","16.655","0.002","88.379","0.002","89.398","0.002","82.993","0.002","4091.3","0.9","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C58 H124 Eu2 Fe4 N12 O27 -","- C58 H124 Eu2 Fe4 N12 O27 -","- C116 H248 Eu4 Fe8 N24 O54 -","2","1","","Baca, S. G.; van Leusen, J.; Speldrich, M.; Kögerler, P.","Understanding the magnetism of {Fe2Ln} dimers, step-by-step","Inorganic Chemistry Frontiers","2016","3","8","1071","","10.1039/C6QI00095A","","","0.71073","MoKα","","0.0579","0.0474","","","0.1124","0.117","","","","","","1.027","","","","has coordinates","234803","2020-10-21","18:00:00",""
"4349477","12.7613","0.0011","13.6635","0.0012","22.0141","0.0017","98.633","0.003","95.552","0.003","108.856","0.002","3547.8","0.5","199","2","199","2","","","","","","","","5","P -1","-P 1","2","","","","- C42 H105 Er O28 Ti8 -","- C42 H105 Er O28 Ti8 -","- C84 H210 Er2 O56 Ti16 -","2","1","","Lv, Yaokang; Du, Weishi; Ren, Yan; Cai, Zhiwei; Yu, Kuai; Zhang, Cheng; Chen, Zuofeng; Wright, Dominic S.","An integrated electrochromic supercapacitor based on nanostructured Er-containing titania using an Er(iii)-doped polyoxotitanate cage","Inorganic Chemistry Frontiers","2016","3","9","1119","","10.1039/C6QI00114A","","","0.71073","MoKα","","0.0757","0.0519","","","0.1332","0.1512","","","","","","1.017","","","","has coordinates","234805","2020-10-21","18:00:00",""
"4349478","17.2073","0.0011","15.8244","0.001","20.0712","0.0013","90","","90","","90","","5465.3","0.6","150","2","150","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C64 H72 Dy Li N4 O4 -","- C64 H72 Dy Li N4 O4 -","- C256 H288 Dy4 Li4 N16 O16 -","4","0.5","","Yu, Ke-Xin; Ding, You-Song; Han, Tian; Leng, Ji-Dong; Zheng, Yan-Zhen","Magnetic relaxations in four-coordinate Dy(iii) complexes: effects of anionic surroundings and short Dy‒O bonds","Inorganic Chemistry Frontiers","2016","3","8","1028","","10.1039/C6QI00117C","","","0.71073","MoKα","","0.0317","0.0223","","","0.0498","0.0545","","","","","","1.043","","","","has coordinates","234807","2020-10-21","18:00:00",""
"4349479","17.1728","0.0013","18.0592","0.0013","19.3313","0.0014","90","","95.064","0.001","90","","5971.8","0.8","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C73 H63 Dy Li N O4 -","- C73 H63 Dy Li N O4 -","- C292 H252 Dy4 Li4 N4 O16 -","4","1","","Yu, Ke-Xin; Ding, You-Song; Han, Tian; Leng, Ji-Dong; Zheng, Yan-Zhen","Magnetic relaxations in four-coordinate Dy(iii) complexes: effects of anionic surroundings and short Dy‒O bonds","Inorganic Chemistry Frontiers","2016","3","8","1028","","10.1039/C6QI00117C","","","0.71073","MoKα","","0.0716","0.0552","","","0.1031","0.1105","","","","","","1.184","","","","has coordinates","234807","2020-10-21","18:00:00",""
"4349480","22.503","0.005","28.973","0.006","29.063","0.006","90","","90","","90","","18948","7","173","2","173","2","","","","","","","","4","F d d d :2","-F 2uv 2vw","70","","","","- C27 H17 Eu O7 -","- C27 H17 Eu O7 -","- C864 H544 Eu32 O224 -","32","1","","Liu, Cai-Ming; Zhang, De-Qing; Zhao, Yong-Sheng; Hao, Xiang; Zhu, Dao-Ben","Two-step warming solvothermal syntheses, luminescence and slow magnetic relaxation of isostructural dense LnMOFs based on nanoscale 3-connected linkers","Inorganic Chemistry Frontiers","2016","3","8","1076","","10.1039/C6QI00137H","","","0.71073","MoKα","","0.0867","0.0851","","","0.1812","0.1822","","","","","","1.189","","","","has coordinates","234809","2020-10-21","18:00:00",""
"4349481","22.497","0.005","28.847","0.006","28.988","0.006","90","","90","","90","","18812","7","173","2","173","2","","","","","","","","5","F d d d :2","-F 2uv 2vw","70","","","","- C27 H17 Dy N0 O7 -","- C27 H17 Dy O7 -","- C864 H544 Dy32 O224 -","32","1","","Liu, Cai-Ming; Zhang, De-Qing; Zhao, Yong-Sheng; Hao, Xiang; Zhu, Dao-Ben","Two-step warming solvothermal syntheses, luminescence and slow magnetic relaxation of isostructural dense LnMOFs based on nanoscale 3-connected linkers","Inorganic Chemistry Frontiers","2016","3","8","1076","","10.1039/C6QI00137H","","","0.71073","MoKα","","0.0938","0.0919","","","0.2165","0.2168","","","","","","1.123","","","","has coordinates","234809","2020-10-21","18:00:00",""
"4349482","36.9471","0.0004","18.5389","0.0002","14.4165","0.0002","90","","97.532","0.001","90","","9789.5","0.2","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C104 H104 Cl8 Lu N16 O8 -","- C104 H104 Cl8 Lu N16 O8 -","- C416 H416 Cl32 Lu4 N64 O32 -","4","0.5","","Cao, Wei; Wang, Kang; Ledoux-Rak, Isabelle; Jiang, Jianzhuang","ABAB-type phthalocyanines simultaneously bearing electron donating and electron accepting groups. Synthesis, spectroscopy, and structure","Inorganic Chemistry Frontiers","2016","3","9","1146","","10.1039/C6QI00147E","","","1.54178","CuKα","","0.0373","0.0334","","","0.0878","0.0907","","","","","","1.033","","","","has coordinates","234811","2020-10-21","18:00:00",""
"4349483","11.3936","0.0012","15.0984","0.001","16.4187","0.0015","83.898","0.007","89.844","0.008","69.577","0.008","2630.1","0.4","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C54 H60 Cl4 Mg N8 O6 -","- C54 H60 Cl4 Mg N8 O6 -","- C108 H120 Cl8 Mg2 N16 O12 -","2","1","","Cao, Wei; Wang, Kang; Ledoux-Rak, Isabelle; Jiang, Jianzhuang","ABAB-type phthalocyanines simultaneously bearing electron donating and electron accepting groups. Synthesis, spectroscopy, and structure","Inorganic Chemistry Frontiers","2016","3","9","1146","","10.1039/C6QI00147E","","","1.54178","CuKα","","0.0538","0.0452","","","0.1206","0.1277","","","","","","1.051","","","","has coordinates","234811","2020-10-21","18:00:00",""
"4349485","14.787","0.003","15.067","0.003","18.853","0.004","81.79","0.03","71.41","0.03","89.01","0.03","3938.6","1.6","173.15","","173.15","","","","","","","","","5","P -1","-P 1","2","","","","- C72 H60 N8 Na4 O4 -","- C72 H60 N8 Na4 O4 -","- C144 H120 N16 Na8 O8 -","2","1","","Zhang, Qiurui; Zhang, Wenjuan; Wang, Shengdong; Solan, Gregory A.; Liang, Tongling; Rajendran, Natesan Mannangatti; Sun, Wen-Hua","Sodium iminoquinolates with cubic and hexagonal prismatic motifs: synthesis, characterization and their catalytic behavior toward the ROP of rac-lactide","Inorganic Chemistry Frontiers","2016","3","9","1178","","10.1039/C6QI00155F","","","0.71073","MoKα","","0.1438","0.0882","","","0.2331","0.2651","","","","","","0.972","","","","has coordinates","234814","2020-10-21","18:00:00",""
"4349486","15.57","0.003","17.11","0.003","18.14","0.004","93.88","0.03","93.24","0.03","116.22","0.03","4305.2","1.9","173.15","","173.15","","","","","","","","","5","P -1","-P 1","2","","","","- C87 H84 N8 Na4 O4 -","- C87 H84 N8 Na4 O4 -","- C174 H168 N16 Na8 O8 -","2","1","","Zhang, Qiurui; Zhang, Wenjuan; Wang, Shengdong; Solan, Gregory A.; Liang, Tongling; Rajendran, Natesan Mannangatti; Sun, Wen-Hua","Sodium iminoquinolates with cubic and hexagonal prismatic motifs: synthesis, characterization and their catalytic behavior toward the ROP of rac-lactide","Inorganic Chemistry Frontiers","2016","3","9","1178","","10.1039/C6QI00155F","","","0.71073","MoKα","","0.1138","0.0808","","","0.2112","0.2334","","","","","","1.0355","","","","has coordinates","234814","2020-10-21","18:00:00",""
"4349487","14.507","0.003","16.694","0.003","17","0.003","100.84","0.03","105.1","0.03","115.3","0.03","3376","2","173.15","","173.15","","","","","","","","","5","P -1","-P 1","2","","","","- C146 H152 N12 Na6 O6 -","- C146 H152.428 N12 Na6 O6 -","- C146 H152.428 N12 Na6 O6 -","1","0.5","","Zhang, Qiurui; Zhang, Wenjuan; Wang, Shengdong; Solan, Gregory A.; Liang, Tongling; Rajendran, Natesan Mannangatti; Sun, Wen-Hua","Sodium iminoquinolates with cubic and hexagonal prismatic motifs: synthesis, characterization and their catalytic behavior toward the ROP of rac-lactide","Inorganic Chemistry Frontiers","2016","3","9","1178","","10.1039/C6QI00155F","","","0.71073","MoKα","","0.0953","0.0781","","","0.1801","0.1924","","","","","","1.114","","","","has coordinates,has disorder","234814","2020-10-21","18:00:00",""
"4349488","31.79","0.006","18.998","0.004","30.209","0.006","90","","109.39","0.03","90","","17210","7","173.15","","173.15","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C186 H148 N8 Na4 O4 -","- C186 H148 N8 Na4 O4 -","- C744 H592 N32 Na16 O16 -","4","0.5","","Zhang, Qiurui; Zhang, Wenjuan; Wang, Shengdong; Solan, Gregory A.; Liang, Tongling; Rajendran, Natesan Mannangatti; Sun, Wen-Hua","Sodium iminoquinolates with cubic and hexagonal prismatic motifs: synthesis, characterization and their catalytic behavior toward the ROP of rac-lactide","Inorganic Chemistry Frontiers","2016","3","9","1178","","10.1039/C6QI00155F","","","0.71073","MoKα","","0.134","0.1047","","","0.2151","0.2312","","","","","","1.178","","","","has coordinates","234814","2020-10-21","18:00:00",""
"4349489","14.41","0.003","17.255","0.003","17.335","0.003","110.08","0.03","104.88","0.03","109.92","0.03","3448","2","173.15","","173.15","","","","","","","","","5","P -1","-P 1","2","","","","- C152 H166 N12 Na6 O6 -","- C152 H166 N12 Na6 O6 -","- C152 H166 N12 Na6 O6 -","1","0.5","","Zhang, Qiurui; Zhang, Wenjuan; Wang, Shengdong; Solan, Gregory A.; Liang, Tongling; Rajendran, Natesan Mannangatti; Sun, Wen-Hua","Sodium iminoquinolates with cubic and hexagonal prismatic motifs: synthesis, characterization and their catalytic behavior toward the ROP of rac-lactide","Inorganic Chemistry Frontiers","2016","3","9","1178","","10.1039/C6QI00155F","","","0.71073","MoKα","","0.1771","0.139","","","0.2373","0.255","","","","","","1.26","","","","has coordinates","234814","2020-10-21","18:00:00",""
"4349490","16.0814","0.0014","19.4781","0.0016","25.689","0.002","70.678","0.003","89.763","0.004","79.664","0.004","7457","1.1","173.15","","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C160 H156 N16 Na4 O8 -","- C160 H156 N16 Na4 O8 -","- C320 H312 N32 Na8 O16 -","2","1","","Zhang, Qiurui; Zhang, Wenjuan; Wang, Shengdong; Solan, Gregory A.; Liang, Tongling; Rajendran, Natesan Mannangatti; Sun, Wen-Hua","Sodium iminoquinolates with cubic and hexagonal prismatic motifs: synthesis, characterization and their catalytic behavior toward the ROP of rac-lactide","Inorganic Chemistry Frontiers","2016","3","9","1178","","10.1039/C6QI00155F","","","0.71073","MoKα","","0.1065","0.0898","","","0.2424","0.2578","","","","","","1.13","","","","has coordinates","234814","2020-10-21","18:00:00",""
"4349491","9.316","0.003","12.398","0.004","13.684","0.004","95.35","0.018","104.121","0.016","102.151","0.018","1480.9","0.8","273","2","273","2","","","","","","","","5","P -1","-P 1","2","","","","- C54 H50 Hg2 N16 O13 -","- C54 H50 Hg2 N16 O13 -","- C54 H50 Hg2 N16 O13 -","1","0.5","","Chen, Min-Min; Chen, Liang; Li, Hong-Xi; Brammer, Lee; Lang, Jian-Ping","Highly selective detection of Hg2+ and MeHgI by di-pyridin-2-yl-[4-(2-pyridin-4-yl-vinyl)-phenyl]-amine and its zinc coordination polymer","Inorganic Chemistry Frontiers","2016","3","10","1297","","10.1039/C6QI00160B","","","0.71073","MoKα","","0.0781","0.0446","","","0.1006","0.1164","","","","","","1.113","","","","has coordinates","234817","2020-10-21","18:00:00",""
"4349492","10.3894","0.0005","10.7374","0.0005","15.0526","0.0008","97.447","0.004","97.813","0.004","106.968","0.004","1565.59","0.14","223","2","223","2","","","","","","","","5","P -1","-P 1","2","","","","- C35 H24 N4 O4 Zn -","- C35 H24 N4 O4 Zn -","- C70 H48 N8 O8 Zn2 -","2","1","","Chen, Min-Min; Chen, Liang; Li, Hong-Xi; Brammer, Lee; Lang, Jian-Ping","Highly selective detection of Hg2+ and MeHgI by di-pyridin-2-yl-[4-(2-pyridin-4-yl-vinyl)-phenyl]-amine and its zinc coordination polymer","Inorganic Chemistry Frontiers","2016","3","10","1297","","10.1039/C6QI00160B","","","0.71073","MoKα","","0.0968","0.0694","","","0.1939","0.2172","","","","","","1.05","","","","has coordinates,has disorder","234817","2020-10-21","18:00:00",""
"4349493","12.546","0.003","14.922","0.003","12.355","0.003","90","","118.52","0.03","90","","2032.3","1","173.15","","173.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C50 H44 Cl N8 -","- C50 H44 Cl N8 -","- C100 H88 Cl2 N16 -","2","0.5","","Rajendran, Natesan Mannangatti; Xi, Yanxia; Zhang, Wenjuan; Braunstein, Pierre; Liang, Tongling; Sun, Wen-Hua","Magnesium and aluminum complexes bearing bis(5,6,7-trihydro quinolyl)-fused benzodiazepines for ε-caprolactone polymerization","Inorganic Chemistry Frontiers","2016","3","10","1317","","10.1039/C6QI00177G","","","0.71073","MoKα","","0.1005","0.0962","","","0.2552","0.2591","","","","","","1.125","","","","has coordinates","234820","2020-10-21","18:00:00",""
"4349494","19.07","0.003","19.07","0.003","12.81","0.003","90","","90","","90","","4658.5","1.5","173.15","","173.15","","","","","","","","","4","P -4 21 c","P -4 2n","114","","","","- C24 H20 Cl2 N4 -","- C24 H20 Cl2 N4 -","- C192 H160 Cl16 N32 -","8","1","","Rajendran, Natesan Mannangatti; Xi, Yanxia; Zhang, Wenjuan; Braunstein, Pierre; Liang, Tongling; Sun, Wen-Hua","Magnesium and aluminum complexes bearing bis(5,6,7-trihydro quinolyl)-fused benzodiazepines for ε-caprolactone polymerization","Inorganic Chemistry Frontiers","2016","3","10","1317","","10.1039/C6QI00177G","","","0.71073","MoKα","","0.0422","0.0416","","","0.1078","0.1085","","","","","","1.037","","","","has coordinates","234820","2020-10-21","18:00:00",""
"4349495","17.232","0.003","16.286","0.003","16.384","0.003","90","","90","","90","","4598","1.4","173.15","","173.15","","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C52 H48 Br2 Mg2 N10 -","- C52 H48 Br2 Mg2 N10 -","- C208 H192 Br8 Mg8 N40 -","4","1","","Rajendran, Natesan Mannangatti; Xi, Yanxia; Zhang, Wenjuan; Braunstein, Pierre; Liang, Tongling; Sun, Wen-Hua","Magnesium and aluminum complexes bearing bis(5,6,7-trihydro quinolyl)-fused benzodiazepines for ε-caprolactone polymerization","Inorganic Chemistry Frontiers","2016","3","10","1317","","10.1039/C6QI00177G","","","0.71073","MoKα","","0.0492","0.0453","","","0.1007","0.1073","","","","","","1.08","","","","has coordinates","234820","2020-10-21","18:00:00",""
"4349496","8.9764","0.0019","18.234","0.004","30.861","0.007","90","","90","","90","","5051.2","1.9","293","","293","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C28 H32 Al2 N4 -","- C28 H32 Al2 N4 -","- C224 H256 Al16 N32 -","8","1","","Rajendran, Natesan Mannangatti; Xi, Yanxia; Zhang, Wenjuan; Braunstein, Pierre; Liang, Tongling; Sun, Wen-Hua","Magnesium and aluminum complexes bearing bis(5,6,7-trihydro quinolyl)-fused benzodiazepines for ε-caprolactone polymerization","Inorganic Chemistry Frontiers","2016","3","10","1317","","10.1039/C6QI00177G","","","0.71075","MoKα","","0.0579","0.057","","","0.1324","0.1331","","","","","","1.183","","","","has coordinates","234820","2020-10-21","18:00:00",""
"4349497","34.71","0.007","8.91","0.0018","18.77","0.004","90","","101.07","0.03","90","","5697","2","173.15","","173.15","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C30 H36 Al2 N4 -","- C30 H36 Al2 N4 -","- C240 H288 Al16 N32 -","8","1","","Rajendran, Natesan Mannangatti; Xi, Yanxia; Zhang, Wenjuan; Braunstein, Pierre; Liang, Tongling; Sun, Wen-Hua","Magnesium and aluminum complexes bearing bis(5,6,7-trihydro quinolyl)-fused benzodiazepines for ε-caprolactone polymerization","Inorganic Chemistry Frontiers","2016","3","10","1317","","10.1039/C6QI00177G","","","0.71073","MoKα","","0.0743","0.0702","","","0.1418","0.1437","","","","","","1.223","","","","has coordinates","234820","2020-10-21","18:00:00",""
"4349498","14.157","0.003","12.201","0.002","27.433","0.006","90","","101.37","0.03","90","","4645.5","1.7","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C39 H47 Cl4 Mn3 N6 O7 -","- C39 H47 Cl4 Mn3 N6 O7 -","- C156 H188 Cl16 Mn12 N24 O28 -","4","1","","Cirera, Jordi; Jiang, Yuan; Qin, Lei; Zheng, Yan-Zhen; Li, Guanghua; Wu, Gang; Ruiz, Eliseo","Ferromagnetism in polynuclear systems based on non-linear [MnII2MnIII] building blocks","Inorganic Chemistry Frontiers","2016","3","10","1272","","10.1039/C6QI00189K","","","0.71073","MoKα","","0.1095","0.0695","","","0.1816","0.1978","","","","","","1.1","","","","has coordinates,has disorder","234823","2020-10-21","18:00:00",""
"4349499","19.121","0.004","12.396","0.003","20.085","0.004","90","","96.26","0.03","90","","4732.2","1.8","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C78 H108 Cl10 Mn6 N4 O16 -","- C78 H108 Cl10 Mn6 N4 O16 -","- C156 H216 Cl20 Mn12 N8 O32 -","2","0.5","","Cirera, Jordi; Jiang, Yuan; Qin, Lei; Zheng, Yan-Zhen; Li, Guanghua; Wu, Gang; Ruiz, Eliseo","Ferromagnetism in polynuclear systems based on non-linear [MnII2MnIII] building blocks","Inorganic Chemistry Frontiers","2016","3","10","1272","","10.1039/C6QI00189K","","","0.71073","MoKα","","0.1107","0.0731","","","0.2006","0.2191","","","","","","1.085","","","","has coordinates,has disorder","234823","2020-10-21","18:00:00",""
"4349500","20.8935","0.0007","16.0332","0.0006","28.1694","0.001","90","","90","","90","","9436.5","0.6","125","2","125","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C54 H35 Co4 N14 O24 -","- C54 H35 Co4 N14 O24 -","- C216 H140 Co16 N56 O96 -","4","1","","Liu, Xiao-Ting; Jia, Yan-Yuan; Zhang, Ying-Hui; Ren, Guo-Jian; Feng, Rui; Zhang, Shi-Yu; Zaworotko, Michael J.; Bu, Xian-He","A new Co(ii) metal‒organic framework with enhanced CO2 adsorption and separation performance","Inorganic Chemistry Frontiers","2016","3","12","1510","","10.1039/C6QI00191B","","","1.54184","CuKα","","0.1154","0.0877","","","0.2256","0.2467","","","","","","0.988","","","","has coordinates","234826","2020-10-21","18:00:00",""
"4349501","9.951","0.002","11.437","0.002","13.867","0.003","69.55","0.03","71.55","0.03","73.82","0.03","1377.4","0.6","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C32 H28 Cl2 N2 O Ru -","- C32 H28 Cl2 N2 O Ru -","- C64 H56 Cl4 N4 O2 Ru2 -","2","1","","Subarkhan, Mohamed Kasim Mohamed; Ramesh, Rengan","Ruthenium(ii) arene complexes containing benzhydrazone ligands: synthesis, structure and antiproliferative activity","Inorganic Chemistry Frontiers","2016","3","10","1245","","10.1039/C6QI00197A","","","0.71073","MoKα","","0.037","0.0319","","","0.0911","0.1035","","","","","","1.152","","","","has coordinates","234828","2020-10-21","18:00:00",""
"4349502","28.5599","0.0009","4.0228","0.0001","22.5333","0.0007","90","","95.54","0.003","90","","2576.78","0.13","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C26 H20 Au2 Cl2 N4 S2 -","- C26 H20 Au2 Cl2 N4 S2 -","- C104 H80 Au8 Cl8 N16 S8 -","4","0.5","","Sun, Raymond Wai-Yin; Xu, Ruo-Fan; Song, Huan-Quan; Saint-Germain, Camille; Zhang, Ming; Ni, Wen-Xiu; Chen, Chun-Xia; Hemmert, Catherine; Gornitzka, Heinz; Li, Dan","A gold(i)‒pyrazolato complex as a switch-on luminescent probe for cysteine: in situ formation of fluorescent nanoparticles and rose-like microspheres","Inorganic Chemistry Frontiers","2016","3","11","1406","","10.1039/C6QI00205F","","","0.71073","MoKα","","0.0494","0.0384","","","0.0945","0.1049","","","","","","1.042","","","","has coordinates,has disorder","234830","2020-10-21","18:00:00",""
"4349503","18.28","0.02","18.49","0.02","19.33","0.02","112.371","0.012","114.135","0.011","95.882","0.011","5249","10","200","2","200","2","","","","","","","","6","P -1","-P 1","2","","Ni-SSC","","- C75 H92 N18 Ni3 O4 S12 -","- C75 H90 N18 Ni3 O4 S12 -","- C150 H180 N36 Ni6 O8 S24 -","2","1","","Yu, Hao; He, Cheng; Xu, Jing; Duan, Chunying; Reek, Joost N. H.","Metal‒organic redox vehicles to encapsulate organic dyes for photocatalytic protons and carbon dioxide reduction","Inorganic Chemistry Frontiers","2016","3","10","1256","","10.1039/C6QI00211K","","","0.71073","MoKα","","0.325","0.1082","","","0.2445","0.3951","","","","","","0.998","","","","has coordinates,has disorder","234832","2020-10-21","18:00:00",""
"4349504","8.454","0.002","18.86","0.004","23.003","0.005","90","","90","","90","","3667.7","1.4","200","2","200","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","Ni-MSSC-cis","","- C38 H40 N6 Ni S4 -","- C38 H40 N6 Ni S4 -","- C152 H160 N24 Ni4 S16 -","4","1","","Yu, Hao; He, Cheng; Xu, Jing; Duan, Chunying; Reek, Joost N. H.","Metal‒organic redox vehicles to encapsulate organic dyes for photocatalytic protons and carbon dioxide reduction","Inorganic Chemistry Frontiers","2016","3","10","1256","","10.1039/C6QI00211K","","","0.71073","MoKα","","0.0866","0.0556","","","0.1143","0.1268","","","","","","1.008","","","","has coordinates","234832","2020-10-21","18:00:00",""
"4349505","22.7393","0.0015","22.7393","0.0015","10.7316","0.001","90","","90","","120","","4805.6","0.6","296","2","296","2","","","","","","","","5","P 62","P 62","171","","","","- C21 H10 Cu N2 O8 -","- C21 H10 Cu N2 O8 -","- C126 H60 Cu6 N12 O48 -","6","1","","Jiao, Jingjing; Liu, Huimin; Chen, Fengli; Bai, Dongjie; Xiong, Shunshun; He, Yabing","An anionic metal‒organic framework based on angular tetracarboxylic acid and a mononuclear copper ion for selective gas adsorption","Inorganic Chemistry Frontiers","2016","3","11","1411","","10.1039/C6QI00245E","","","0.71073","MoKα","","0.1148","0.0992","","","0.2992","0.3149","","","","","","1.038","","","","has coordinates","234834","2020-10-21","18:00:00",""
"4349506","13.9331","0.0013","14.8995","0.0013","19.1156","0.0017","88.373","0.013","85.477","0.012","71.782","0.01","3757.6","0.6","123","2","123","2","","","","","","","","8","P -1","-P 1","2","","","","- C83 H80 Ag B Cl4 F4 N2 P2 -","- C83 H80 Ag B Cl4 F4 N2 P2 -","- C166 H160 Ag2 B2 Cl8 F8 N4 P4 -","2","1","","Kakizoe, Daichi; Nishikawa, Michihiro; Degawa, Taku; Tsubomura, Taro","Intense blue emission and a reversible hypsochromic shift of luminescence caused by grinding based on silver(i) complexes","Inorganic Chemistry Frontiers","2016","3","11","1381","","10.1039/C6QI00254D","","","0.7107","MoKα","","0.1055","0.0935","","","","0.2426","","","","","","1.105","","","","has coordinates","234836","2020-10-21","18:00:00",""
"4349507","17.4551","0.0013","17.4551","0.0011","44.281","0.003","90","0.005","90","0.005","90","0.005","13491.6","1.6","123","2","123","2","","","","","","","","6","P 41","P 4w","76","","","","- C81 H80 Ag B N2 P2 -","- C81 H80 Ag B N2 P2 -","- C648 H640 Ag8 B8 N16 P16 -","8","2","","Kakizoe, Daichi; Nishikawa, Michihiro; Degawa, Taku; Tsubomura, Taro","Intense blue emission and a reversible hypsochromic shift of luminescence caused by grinding based on silver(i) complexes","Inorganic Chemistry Frontiers","2016","3","11","1381","","10.1039/C6QI00254D","","","0.7107","MoKα","","0.0573","0.0493","","","","0.1048","","","","","","1.063","","","","has coordinates","234836","2020-10-21","18:00:00",""
"4349508","12.6427","0.0013","12.643","","14.7501","0.0016","90","","90","","90","","2357.7","0.4","296","2","296","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C20 H20 Cl3 In N2 O7 -","- C20 H20 Cl3 In N2 O7 -","- C80 H80 Cl12 In4 N8 O28 -","4","1","","Du, Xi; Fan, Ruiqing; Fan, Jizhuang; Qiang, Liangsheng; Song, Yang; Dong, Yuwei; Xing, Kai; Wang, Ping; Yang, Yulin","Self-assembly of two supramolecular indium(iii) metal‒organic frameworks for reversible iodine capture and large band gap change semiconductor behavior","Inorganic Chemistry Frontiers","2016","3","11","1480","","10.1039/C6QI00259E","","","0.71073","MoKα","","0.0594","0.0396","","","0.0941","0.1169","","","","","","1.086","","","","has coordinates","234838","2020-10-21","18:00:00",""
"4349509","14.9345","0.0007","21.389","0.001","17.4012","0.0009","90","","92.797","0.002","90","","5551.9","0.5","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C54 H41 Cl4 In2 N9 O6 -","- C54 H41 Cl4 In2 N9 O6 -","- C216 H164 Cl16 In8 N36 O24 -","4","1","","Du, Xi; Fan, Ruiqing; Fan, Jizhuang; Qiang, Liangsheng; Song, Yang; Dong, Yuwei; Xing, Kai; Wang, Ping; Yang, Yulin","Self-assembly of two supramolecular indium(iii) metal‒organic frameworks for reversible iodine capture and large band gap change semiconductor behavior","Inorganic Chemistry Frontiers","2016","3","11","1480","","10.1039/C6QI00259E","","","0.71073","MoKα","","0.1294","0.0625","","","0.1543","0.1903","","","","","","1.041","","","","has coordinates","234838","2020-10-21","18:00:00",""
"4349510","9.3526","0.0009","9.3526","0.0009","22.285","0.003","90","","90","","120","","1688.1","0.3","445","2","445","2","","","","","","","","5","P 63/m m c","-P 6c 2c","194","","","","- C9 H15 I9 N6 Sb2 -","- C8.97 H14.85 I9 N6 Sb2 -","- C17.94 H29.7 I18 N12 Sb4 -","2","0.0833333","","Węcławik, M.; Gągor, A.; Jakubas, R.; Piecha-Bisiorek, A.; Medycki, W.; Baran, J.; Zieliński, P.; Gałązka, M.","Structure‒property relationships in hybrid (C3H5N2)3[Sb2I9] and (C3H5N2)3[Bi2I9] isomorphs","Inorganic Chemistry Frontiers","2016","3","10","1306","","10.1039/C6QI00260A","","","0.71073","MoKα","","0.153","0.0651","","","0.1752","0.2337","","","","","","0.952","","","","has coordinates","234841","2020-10-21","18:00:00",""
"4349511","8.9215","0.0007","16.9118","0.001","22.3716","0.0015","90","","90","","90","","3375.4","0.4","298","2","298","2","","","","","","","","5","C m c m","-C 2c 2","63","","","","- C9 H15 I9 N6 Sb2 -","- C9 H15 I9 N6 Sb2 -","- C36 H60 I36 N24 Sb8 -","4","0.25","","Węcławik, M.; Gągor, A.; Jakubas, R.; Piecha-Bisiorek, A.; Medycki, W.; Baran, J.; Zieliński, P.; Gałązka, M.","Structure‒property relationships in hybrid (C3H5N2)3[Sb2I9] and (C3H5N2)3[Bi2I9] isomorphs","Inorganic Chemistry Frontiers","2016","3","10","1306","","10.1039/C6QI00260A","","","0.71073","MoKα","","0.1354","0.0647","","","0.1809","0.2327","","","","","","1.048","","","","has coordinates","234841","2020-10-21","18:00:00",""
"4349512","8.9409","0.0014","16.749","0.002","22.494","0.003","90","","90","","90","","3368.5","0.8","300","2","300","2","","","","","","","","5","C m c m","-C 2c 2","63","","","","- C9 H15 Bi2 I9 N6 -","- C9 H15 Bi2 I9 N6 -","- C36 H60 Bi8 I36 N24 -","4","0.25","","Węcławik, M.; Gągor, A.; Jakubas, R.; Piecha-Bisiorek, A.; Medycki, W.; Baran, J.; Zieliński, P.; Gałązka, M.","Structure‒property relationships in hybrid (C3H5N2)3[Sb2I9] and (C3H5N2)3[Bi2I9] isomorphs","Inorganic Chemistry Frontiers","2016","3","10","1306","","10.1039/C6QI00260A","","","0.71073","MoKα","","0.1937","0.047","","","0.0928","0.1128","","","","","","0.848","","","","has coordinates","234841","2020-10-21","18:00:00",""
"4349513","9.2914","0.0009","9.2914","0.0009","22.503","0.003","90","","90","","120","","1682.4","0.3","350","2","350","2","","","","","","","","5","P 63/m m c","-P 6c 2c","194","","","","- C9 H15 Bi2 I9 N6 -","- C8.97 H14.85 Bi2 I9 N6 -","- C17.94 H29.7 Bi4 I18 N12 -","2","0.0833333","","Węcławik, M.; Gągor, A.; Jakubas, R.; Piecha-Bisiorek, A.; Medycki, W.; Baran, J.; Zieliński, P.; Gałązka, M.","Structure‒property relationships in hybrid (C3H5N2)3[Sb2I9] and (C3H5N2)3[Bi2I9] isomorphs","Inorganic Chemistry Frontiers","2016","3","10","1306","","10.1039/C6QI00260A","","","0.71073","MoKα","","0.1491","0.0411","","","0.0837","0.1006","","","","","","0.88","","","","has coordinates","234841","2020-10-21","18:00:00",""
"4349514","19.39","0.1","15.81","0.1","17.9","0.1","90","","90","","90","","5487","5","293","2","","","","","","","","","","4","C m c e","-C 2ac 2","64","","","","- C22 B8.08 O194.64 Si87.92 -","- C16 B8 O196.96 Si88 -","- C16 B8 O196.96 Si88 -","1","0.0625","","Guo, Peng; Strohmaier, Karl; Vroman, Hilda; Afeworki, Mobae; Ravikovitch, Peter I.; Paur, Charanjit S.; Sun, Junliang; Burton, Allen; Zou, Xiaodong","Accurate structure determination of a borosilicate zeolite EMM-26 with two-dimensional 10 ×10 ring channels using rotation electron diffraction","Inorganic Chemistry Frontiers","2016","3","11","1444","","10.1039/C6QI00262E","","","0.0251","Electrons","","0.2187","0.1456","","","0.3396","0.3667","","","","","","0.956","","","","has coordinates","234843","2020-10-21","18:00:00",""
"4349515","19.3918","0.0002","15.7008","0.0001","17.7673","0.0001","90","","90","","90","","5409.55","0.07","100","","100","","","","","","","","","6","C m c e","-C 2ac 2","64","as_made_EMM-26","","","- C8.61 H17.75 B N1.08 O24.13 Si11 -","- C8.5984 H18.0029 B1.0004 N1.0748 O24.132 Si10.9994 -","- C68.7872 H144.023 B8.0032 N8.5984 O193.056 Si87.9952 -","8","0.5","","Guo, Peng; Strohmaier, Karl; Vroman, Hilda; Afeworki, Mobae; Ravikovitch, Peter I.; Paur, Charanjit S.; Sun, Junliang; Burton, Allen; Zou, Xiaodong","Accurate structure determination of a borosilicate zeolite EMM-26 with two-dimensional 10 ×10 ring channels using rotation electron diffraction","Inorganic Chemistry Frontiers","2016","3","11","1444","","10.1039/C6QI00262E","powder diffraction","x-ray","0.4009","synchrotron","","","","","","","","","0.03","3.602","","","","","","","has coordinates","234845","2020-10-21","18:00:00",""
"4349516","9.824","0.002","10.344","0.002","15.141","0.003","88.4","0.03","73.13","0.03","88.03","0.03","1471.3","0.6","153.15","","153.15","","","","","","","","chloroform","5","P -1","-P 1","2","L1","L1","","- C42 H46 Cl18 N6 O4 -","- C42 H46 Cl18 N6 O4 -","- C42 H46 Cl18 N6 O4 -","1","0.5","","Li, Hong-Qing; Ding, Zhong-Yu; Pan, Yao; Liu, Chun-Hua; Zhu, Yuan-Yuan","Fluorescence tuning of Zn(ii)-based metallo-supramolecular coordination polymers and their application for picric acid detection","Inorganic Chemistry Frontiers","2016","3","11","1363","","10.1039/C6QI00267F","","","0.71073","MoKα","","0.0665","0.0542","","","0.1316","0.1405","","","","","","1.073","","","","has coordinates","234847","2020-10-21","18:00:00",""
"4349517","10.24","0.002","10.25","0.002","12.374","0.003","86.03","0.03","67.18","0.03","69.76","0.03","1120","0.5","153.15","","153.15","","","","","","","","","4","P -1","-P 1","2","L3","L3","","- C50 H56 N6 O6 -","- C50 H56 N6 O6 -","- C50 H56 N6 O6 -","1","0.5","","Li, Hong-Qing; Ding, Zhong-Yu; Pan, Yao; Liu, Chun-Hua; Zhu, Yuan-Yuan","Fluorescence tuning of Zn(ii)-based metallo-supramolecular coordination polymers and their application for picric acid detection","Inorganic Chemistry Frontiers","2016","3","11","1363","","10.1039/C6QI00267F","","","0.71073","MoKα","","0.0614","0.055","","","0.1351","0.1392","","","","","","1.11","","","","has coordinates","234847","2020-10-21","18:00:00",""
"4349518","11.337","0.004","19.412","0.007","33.776","0.011","90","","90","","90","","7433","4","293.15","","293","2","","","","","","","none","7","F d d d :2","-F 2uv 2vw","70","C1","C1","","- C30 H36 Br2 Cl2 N6 O12 Zn -","- C30 H36 Br2 Cl2 N6 O12 Zn -","- C240 H288 Br16 Cl16 N48 O96 Zn8 -","8","0.25","","Li, Hong-Qing; Ding, Zhong-Yu; Pan, Yao; Liu, Chun-Hua; Zhu, Yuan-Yuan","Fluorescence tuning of Zn(ii)-based metallo-supramolecular coordination polymers and their application for picric acid detection","Inorganic Chemistry Frontiers","2016","3","11","1363","","10.1039/C6QI00267F","","","0.71075","MoKα","","0.0747","0.061","","","0.1322","0.1394","","","","","","1.216","","","","has coordinates,has disorder","234847","2020-10-21","18:00:00",""
"4349519","13.657","0.005","18.686","0.005","31.503","0.005","90","0.005","101.532","0.005","90","0.005","7877","4","100","2","100","2","","","","","","","","5","I 1 2/m 1","-I 2y","12","","","","- C39 H25 Cu3 N6 O13 -","- C39 H25 Cu3 N6 O13 -","- C156 H100 Cu12 N24 O52 -","4","0.5","","Kourtellaris, Andreas; Moushi, Eleni E.; Spanopoulos, Ioannis; Tampaxis, Christos; Charalambopoulou, Georgia; Steriotis, Theodore A.; Papaefstathiou, Giannis S.; Trikalitis, Pantelis N.; Tasiopoulos, Anastasios J.","A microporous Cu2+MOF based on a pyridyl isophthalic acid Schiff base ligand with high CO2uptake","Inorganic Chemistry Frontiers","2016","3","12","1527","","10.1039/C6QI00273K","","","1.5418","CuKα","","0.0898","0.0765","","","0.2362","0.2505","","","","","","1.189","","","","has coordinates","234849","2020-10-21","18:00:00",""
"4349520","13.1619","0.0008","16.2198","0.0012","18.9453","0.0014","90","","97.214","0.003","90","","4012.5","0.5","200","2","200","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","[RS-Diethyl-(2,2-dimethyl-1-(tert-butyl-(1-(pyridine-4-yl)ethoxy)amino) propyl)phosphonate-N,O][SR-diethyl-(2,2-dimethyl-1-(tert-butyl-(1- (pyridine-4-yl)ethoxy)amino)propyl)phosphonate-N,O]bis[bis(1,1,1,5,5,5- hexafluoropentane-2,4-dionato)copper]","","- C60 H76 Cu2 F24 N4 O16 P2 -","- C60 H76 Cu2 F24 N4 O16 P2 -","- C120 H152 Cu4 F48 N8 O32 P4 -","2","0.5","","Audran, Gérard; Bagryanskaya, Elena; Bagryanskaya, Irina; Brémond, Paul; Edeleva, Mariya; Marque, Sylvain R. A.; Parkhomenko, Dmitriy; Tretyakov, Evgeny; Zhivetyeva, Svetlana","C‒ON bond homolysis of alkoxyamines triggered by paramagnetic copper(ii) salts","Inorganic Chemistry Frontiers","2016","3","11","1464","","10.1039/C6QI00277C","","","0.71073","MoKα","","0.0794","0.0508","","","0.1296","0.1607","","","","","","1.056","","","","has coordinates,has disorder","234851","2020-10-21","18:00:00",""
"4349521","10.631","0.0003","11.8915","0.0004","32.1197","0.0011","90","","98.907","0.002","90","","4011.6","0.2","296","2","296","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","Catena{(diethyl-(2,2-dimethyl-1-(tert-butyl-(1-(pyridine-4-yl)ethoxy)amino) propyl)phosphonate-N,O)bis(1,1,1,5,5,5-hexafluoropentane-2,4- dionato)copper}","","- C30 H39 Cu F12 N4 O8 P -","- C30 H39 Cu F12 N2 O8 P -","- C120 H156 Cu4 F48 N8 O32 P4 -","4","1","","Audran, Gérard; Bagryanskaya, Elena; Bagryanskaya, Irina; Brémond, Paul; Edeleva, Mariya; Marque, Sylvain R. A.; Parkhomenko, Dmitriy; Tretyakov, Evgeny; Zhivetyeva, Svetlana","C‒ON bond homolysis of alkoxyamines triggered by paramagnetic copper(ii) salts","Inorganic Chemistry Frontiers","2016","3","11","1464","","10.1039/C6QI00277C","","","0.71073","MoKα","","0.1192","0.0649","","","0.1661","0.1993","","","","","","1.082","","","","has coordinates","234851","2020-10-21","18:00:00",""
"4349522","9.389","0.0006","17.4016","0.0011","19.6691","0.0012","63.746","0.002","77.272","0.003","87.428","0.003","2806.2","0.3","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","[RR-diethyl-(2,2-dimethyl-1-(tert-butyl-(1-(pyridine-2-yl)ethoxy)amino) propyl)phosphonate-N,O][SS-diethyl-(2,2-dimethyl-1-(tert-butyl- (1-(pyridine-2-yl)ethoxy)amino)propyl)phosphonate-N,O]tris[bis(1,1,1,5,5,5- hexafluoropentane-2,4-dionato)copper]","","- C70 H80 Cu3 F36 N4 O20 P2 -","- C70 H80 Cu3 F36 N4 O20 P2 -","- C70 H80 Cu3 F36 N4 O20 P2 -","1","0.5","","Audran, Gérard; Bagryanskaya, Elena; Bagryanskaya, Irina; Brémond, Paul; Edeleva, Mariya; Marque, Sylvain R. A.; Parkhomenko, Dmitriy; Tretyakov, Evgeny; Zhivetyeva, Svetlana","C‒ON bond homolysis of alkoxyamines triggered by paramagnetic copper(ii) salts","Inorganic Chemistry Frontiers","2016","3","11","1464","","10.1039/C6QI00277C","","","0.71073","MoKα","","0.095","0.0545","","","0.1253","0.1301","","","","","","1.075","","","","has coordinates,has disorder","234851","2020-10-21","18:00:00",""
"4349523","9.5604","0.0002","19.9209","0.0006","20.718","0.0006","90","","96.103","0.001","90","","3923.42","0.18","200","2","200","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","[Diethyl-(2,2-dimethyl-1-(tert-butyl-(1-(pyridine-2-yl)ethoxy)amino)propyl) phosphonate-N,O]bis(1,1,1,5,5,5-hexafluoropentane-2,4-dionato)copper","","- C30 H39 Cu F12 N2 O8 P -","- C30 H39 Cu F12 N2 O8 P -","- C120 H156 Cu4 F48 N8 O32 P4 -","4","1","","Audran, Gérard; Bagryanskaya, Elena; Bagryanskaya, Irina; Brémond, Paul; Edeleva, Mariya; Marque, Sylvain R. A.; Parkhomenko, Dmitriy; Tretyakov, Evgeny; Zhivetyeva, Svetlana","C‒ON bond homolysis of alkoxyamines triggered by paramagnetic copper(ii) salts","Inorganic Chemistry Frontiers","2016","3","11","1464","","10.1039/C6QI00277C","","","0.71073","MoKα","","0.0825","0.0582","","","0.1591","0.1851","","","","","","1.08","","","","has coordinates,has disorder","234851","2020-10-21","18:00:00",""
"4349524","22.4258","0.0016","22.4258","0.0016","10.919","0.0015","90","","90","","120","","4755.6","0.8","296","2","296","2","","","","","","","","5","P 31 2 1","P 31 2""","152","","","","- C25 H25 Cu N3 O8 -","- C25 H25 Cu N3 O8 -","- C150 H150 Cu6 N18 O48 -","6","1","","Liu, Bo; Zhou, Hui-Fang; Hou, Lei; Zhu, Zhonghua; Wang, Yao-Yu","A chiral metal‒organic framework with polar channels: unique interweaving six-fold helices and high CO2/CH4 separation","Inorganic Chemistry Frontiers","2016","3","10","1326","","10.1039/C6QI00282J","","","0.71073","MoKα","","0.0875","0.0803","","","0.2218","0.2286","","","","","","1.045","","","","has coordinates","234854","2020-10-21","18:00:00",""
"4349525","4.3566","0.0007","21.531","0.003","11.0429","0.0017","90","","91.093","0.002","90","","1035.7","0.3","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C6 H7 Br3 N Pb -","- C6 H7 Br3 N Pb -","- C24 H28 Br12 N4 Pb4 -","4","1","","Liu, Guangfeng; Liu, Jie; Tao, Xutang; Li, Dong-sheng; Zhang, Qichun","Surfactants as additives make the structures of organic‒inorganic hybrid bromoplumbates diverse","Inorganic Chemistry Frontiers","2016","3","11","1388","","10.1039/C6QI00292G","","","0.71073","MoKα","","0.0337","0.0273","","","0.0669","0.0695","","","","","","1.099","","","","has coordinates","234856","2020-10-21","18:00:00",""
"4349526","8.0898","0.0006","12.4533","0.0009","22.9102","0.0016","82.109","0.001","89.555","0.001","76.313","0.001","2220.6","0.3","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C12 H14 Br6 N2 Pb2 -","- C12 H14 Br6 N2 Pb2 -","- C48 H56 Br24 N8 Pb8 -","4","2","","Liu, Guangfeng; Liu, Jie; Tao, Xutang; Li, Dong-sheng; Zhang, Qichun","Surfactants as additives make the structures of organic‒inorganic hybrid bromoplumbates diverse","Inorganic Chemistry Frontiers","2016","3","11","1388","","10.1039/C6QI00292G","","","0.71073","MoKα","","0.0571","0.0331","","","0.0667","0.0749","","","","","","0.955","","","","has coordinates","234856","2020-10-21","18:00:00",""
"4349527","9.7421","0.0006","12.9277","0.0008","13.2958","0.0008","116.07","0.001","110.709","0.001","90.918","0.001","1377.36","0.15","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H28 Br18 N4 Pb7 -","- C24 H28 Br18 N4 Pb7 -","- C24 H28 Br18 N4 Pb7 -","1","0.5","","Liu, Guangfeng; Liu, Jie; Tao, Xutang; Li, Dong-sheng; Zhang, Qichun","Surfactants as additives make the structures of organic‒inorganic hybrid bromoplumbates diverse","Inorganic Chemistry Frontiers","2016","3","11","1388","","10.1039/C6QI00292G","","","0.71073","MoKα","","0.048","0.0365","","","0.0874","0.0925","","","","","","1.009","","","","has coordinates","234856","2020-10-21","18:00:00",""
"4349528","18.748","0.003","9.5035","0.0016","12.453","0.002","90","","110.85","0.002","90","","2073.5","0.6","296","2","296","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C24 H28 Br10 N4 Pb3 -","- C24 H28 Br10 N4 Pb3 -","- C48 H56 Br20 N8 Pb6 -","2","0.25","","Liu, Guangfeng; Liu, Jie; Tao, Xutang; Li, Dong-sheng; Zhang, Qichun","Surfactants as additives make the structures of organic‒inorganic hybrid bromoplumbates diverse","Inorganic Chemistry Frontiers","2016","3","11","1388","","10.1039/C6QI00292G","","","0.71073","MoKα","","0.0687","0.049","","","0.1153","0.1258","","","","","","0.996","","","","has coordinates","234856","2020-10-21","18:00:00",""
"4349529","10.244","0.002","10.4376","0.0019","11.148","0.002","104.961","0.015","90.25","0.016","103.255","0.015","1118.3","0.4","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C23 H25 N2 O2 P S2 -","- C23 H25 N2 O2 P S2 -","- C46 H50 N4 O4 P2 S4 -","2","1","","Safin, Damir A.; Babashkina, Maria G.; Mitoraj, Mariusz P.; Kubisiak, Piotr; Robeyns, Koen; Bolte, Michael; Garcia, Yann","An intermolecular pyrene excimer in the pyrene-labeled N-thiophosphorylated thiourea and its nickel(ii) complex","Inorganic Chemistry Frontiers","2016","3","11","1419","","10.1039/C6QI00298F","","","0.71073","MoKα","","0.1057","0.0573","","","0.1091","0.1223","","","","","","0.924","","","","has coordinates","265221","2021-05-14","10:01:31",""
"4349530","10.2046","0.0006","10.7201","0.0007","10.8463","0.0005","90.022","0.005","108.105","0.005","105.302","0.005","1083.39","0.12","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C46 H48 N4 Ni O4 P2 S4 -","- C46 H48 N4 Ni O4 P2 S4 -","- C46 H48 N4 Ni O4 P2 S4 -","1","0.5","","Safin, Damir A.; Babashkina, Maria G.; Mitoraj, Mariusz P.; Kubisiak, Piotr; Robeyns, Koen; Bolte, Michael; Garcia, Yann","An intermolecular pyrene excimer in the pyrene-labeled N-thiophosphorylated thiourea and its nickel(ii) complex","Inorganic Chemistry Frontiers","2016","3","11","1419","","10.1039/C6QI00298F","","","0.68239","synchrotron","","0.0361","0.0323","","","0.0818","0.084","","","","","","1.056","","","","has coordinates","234858","2020-10-21","18:00:00",""
"4349534","11.6184","0.0007","15.9574","0.001","15.0119","0.0011","90","","90","","90","","2783.2","0.3","173","2","173","2","","","","","","","","6","P n n m","-P 2 2n","58","","","","- C36 H36 I2 N24 Na2 O20 -","- C36 H36 I2 N24 Na2 O20 -","- C72 H72 I4 N48 Na4 O40 -","2","0.25","","Lin, Jing-Xiang; Liang, Jun; Feng, Ji-Fei; Karadeniz, Bahar; Lü, Jian; Cao, Rong","Iodine uptake and enhanced electrical conductivity in a porous coordination polymer based on cucurbit[6]uril","Inorganic Chemistry Frontiers","2016","3","11","1393","","10.1039/C6QI00305B","","","1.54184","CuKα","","0.0801","0.0665","","","0.2055","0.2235","","","","","","1.072","","","","has coordinates","234861","2020-10-21","18:00:00",""
"4349540","13.698","0.003","7.8637","0.0016","13.681","0.003","90","","108.65","0.03","90","","1396.3","0.6","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C8 H12 Co K0.77 N8 Rb0.23 -","- C8 H12 Co K0.77 N8 Rb0.23 -","- C32 H48 Co4 K3.08 N32 Rb0.92 -","4","0.5","","Shi, Chao; Han, Xiang-Bin; Wang, Ya; Zhang, Wen","Tuning dielectric transitions by B′-site mixing in hybrid double perovskite crystals (CH3NH3)2[K1−xRbxCo(CN)6] (x = 0.23‒0.62)","Inorganic Chemistry Frontiers","2016","3","12","1604","","10.1039/C6QI00347H","","","0.71073","MoKα","","0.0358","0.0301","","","0.0755","0.077","","","","","","1.085","","","","has coordinates","234869","2020-10-21","18:00:00",""
"4349541","13.711","0.003","7.888","0.0016","13.717","0.003","90","","108.73","0.03","90","","1405","0.6","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C8 H12 Co K0.69 N8 Rb0.31 -","- C8 H12 Co K0.69 N8 Rb0.31 -","- C32 H48 Co4 K2.76 N32 Rb1.24 -","4","0.5","","Shi, Chao; Han, Xiang-Bin; Wang, Ya; Zhang, Wen","Tuning dielectric transitions by B′-site mixing in hybrid double perovskite crystals (CH3NH3)2[K1−xRbxCo(CN)6] (x = 0.23‒0.62)","Inorganic Chemistry Frontiers","2016","3","12","1604","","10.1039/C6QI00347H","","","0.71073","MoKα","","0.0614","0.0571","","","0.1694","0.1727","","","","","","1.104","","","","has coordinates","234869","2020-10-21","18:00:00",""
"4349542","13.72","0.003","7.9003","0.0016","13.729","0.003","90","","108.62","0.03","90","","1410.2","0.6","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C8 H12 Co K0.66 N8 Rb0.34 -","- C8 H12 Co K0.66 N8 Rb0.34 -","- C32 H48 Co4 K2.64 N32 Rb1.36 -","4","0.5","","Shi, Chao; Han, Xiang-Bin; Wang, Ya; Zhang, Wen","Tuning dielectric transitions by B′-site mixing in hybrid double perovskite crystals (CH3NH3)2[K1−xRbxCo(CN)6] (x = 0.23‒0.62)","Inorganic Chemistry Frontiers","2016","3","12","1604","","10.1039/C6QI00347H","","","0.71073","MoKα","","0.0602","0.0547","","","0.1678","0.171","","","","","","1.124","","","","has coordinates","234869","2020-10-21","18:00:00",""
"4349543","13.754","0.003","7.8831","0.0016","13.749","0.003","90","","108.47","0.03","90","","1413.9","0.6","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C8 H12 Co K0.56 N8 Rb0.44 -","- C8 H12 Co K0.56 N8 Rb0.44 -","- C32 H48 Co4 K2.24 N32 Rb1.76 -","4","0.5","","Shi, Chao; Han, Xiang-Bin; Wang, Ya; Zhang, Wen","Tuning dielectric transitions by B′-site mixing in hybrid double perovskite crystals (CH3NH3)2[K1−xRbxCo(CN)6] (x = 0.23‒0.62)","Inorganic Chemistry Frontiers","2016","3","12","1604","","10.1039/C6QI00347H","","","0.71073","MoKα","","0.052","0.0478","","","0.1545","0.1573","","","","","","1.187","","","","has coordinates","234869","2020-10-21","18:00:00",""
"4349544","13.781","0.003","7.8981","0.0016","13.776","0.003","90","","108.34","0.03","90","","1423.3","0.6","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C8 H12 Co K0.38 N8 Rb0.62 -","- C8 H12 Co K0.38 N8 Rb0.62 -","- C32 H48 Co4 K1.52 N32 Rb2.48 -","4","0.5","","Shi, Chao; Han, Xiang-Bin; Wang, Ya; Zhang, Wen","Tuning dielectric transitions by B′-site mixing in hybrid double perovskite crystals (CH3NH3)2[K1−xRbxCo(CN)6] (x = 0.23‒0.62)","Inorganic Chemistry Frontiers","2016","3","12","1604","","10.1039/C6QI00347H","","","0.71073","MoKα","","0.0582","0.0506","","","0.1385","0.1418","","","","","","1.07","","","","has coordinates","234869","2020-10-21","18:00:00",""
"4349545","11.466","0.005","11.466","0.005","11.466","0.005","90","","90","","90","","1507.4","1.1","460","2","460","2","","","","","","","","5","F m -3 m","-F 4 2 3","225","","","","- C16 Co2 K1.54 N16 Rb0.46 -","- C16.0008 Co2 K1.5398 N16 Rb0.4598 -","- C32.0016 Co4 K3.0796 N32 Rb0.9196 -","2","0.0104167","","Shi, Chao; Han, Xiang-Bin; Wang, Ya; Zhang, Wen","Tuning dielectric transitions by B′-site mixing in hybrid double perovskite crystals (CH3NH3)2[K1−xRbxCo(CN)6] (x = 0.23‒0.62)","Inorganic Chemistry Frontiers","2016","3","12","1604","","10.1039/C6QI00347H","","","0.71073","MoKα","","0.0929","0.0929","","","0.2398","0.2396","","","","","","1.279","","","","has coordinates","234869","2020-10-21","18:00:00",""
"4349552","19.314","0.004","12.669","0.003","17.15","0.004","90","","90","","90","","4196.4","1.6","296","2","296","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C46 H35 Cl2 N7 O2 Zn2 -","- C46 H35 Cl2 N7 O2 Zn2 -","- C184 H140 Cl8 N28 O8 Zn8 -","4","1","","Dhara, Ashish Kumar; Singh, Udai P.; Ghosh, Kaushik","Radical pathways and O2 participation in benzyl alcohol oxidation, and catechol and o-aminophenol oxidase activity studies with novel zinc complexes: an experimental and theoretical investigation","Inorganic Chemistry Frontiers","2016","3","12","1543","","10.1039/C6QI00356G","","","0.71073","MoKα","","0.1223","0.0553","","","0.1296","0.1699","","","","","","0.94","","","","has coordinates","234875","2020-10-21","18:00:00",""
"4349553","11.506","0.007","11.966","0.007","15.127","0.009","84.49","0.03","89.19","0.03","63.54","0.03","1855","2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C38 H32 Cl2 N6 O4 Zn2 -","- C38 H32 Cl2 N6 O4 Zn2 -","- C76 H64 Cl4 N12 O8 Zn4 -","2","1","","Dhara, Ashish Kumar; Singh, Udai P.; Ghosh, Kaushik","Radical pathways and O2 participation in benzyl alcohol oxidation, and catechol and o-aminophenol oxidase activity studies with novel zinc complexes: an experimental and theoretical investigation","Inorganic Chemistry Frontiers","2016","3","12","1543","","10.1039/C6QI00356G","","","0.71073","MoKα","","0.0754","0.0439","","","0.1111","0.1408","","","","","","0.882","","","","has coordinates","234875","2020-10-21","18:00:00",""
"4349558","6.06932","0.00011","25.5373","0.0006","27.9983","0.0006","90","","90","","90","","4339.57","0.16","292.2","0.6","292.2","0.6","","","","","","","","6","P c m n","-P 2n 2ac","62","","","","- C28 H32 Br Cu N12 O4 -","- C28 H32 Br Cu N12 O4 -","- C112 H128 Br4 Cu4 N48 O16 -","4","0.5","","Wu, Di; Jiang, Ruyong; Luo, Liang; He, Zhen; You, Jingsong","Bromide anion-triggered visible responsive metallogels based on squaramide complexes","Inorganic Chemistry Frontiers","2016","3","12","1597","","10.1039/C6QI00386A","","x-ray","1.54184","CuKα","","0.1054","0.098","","","0.3076","0.3134","","","","","","1.107","","","","has coordinates","234881","2020-10-21","18:00:00",""
"4349559","27.9361","0.0013","25.418","0.0014","6.0524","0.0003","90","","90","","90","","4297.7","0.4","293.15","","293.15","","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C28 H32 Cl Cu N12 O4 -","- C28 H32 Cl Cu N12 O4 -","- C112 H128 Cl4 Cu4 N48 O16 -","4","0.5","","Wu, Di; Jiang, Ruyong; Luo, Liang; He, Zhen; You, Jingsong","Bromide anion-triggered visible responsive metallogels based on squaramide complexes","Inorganic Chemistry Frontiers","2016","3","12","1597","","10.1039/C6QI00386A","","x-ray","1.54184","CuKα","","0.1013","0.0924","","","0.263","0.2698","","","","","","1.055","","","","has coordinates","234881","2020-10-21","18:00:00",""
"4349565","13.6828","0.0004","19.9361","0.0006","25.5286","0.0008","90","","90","","90","","6963.7","0.4","180","0.1","180","0.1","","","","","","","no","7","P b c a","-P 2ac 2ab","61","2a","2a","","- C30 H38 B2 F8 Fe N6 O4 -","- C30 H38 B2 F8 Fe N6 O4 -","- C240 H304 B16 F64 Fe8 N48 O32 -","8","1","","Zhu, Yuan-Yuan; Li, Hong-Qing; Ding, Zhong-Yu; Lü, Xiao-Jin; Zhao, Liang; Meng, Yin-Shan; Liu, Tao; Gao, Song","Spin transitions in a series of [Fe(pybox)2]2+ complexes modulated by ligand structures, counter anions, and solvents","Inorganic Chemistry Frontiers","2016","3","12","1624","","10.1039/C6QI00417B","","","0.71073","MoKα","","0.0872","0.0531","","","0.1254","0.1486","","","","","","1.028","","","","has coordinates,has disorder","234891","2020-10-21","18:00:00",""
"4349566","16.918","0.003","18.982","0.004","23.007","0.005","90","","90","","90","","7388","3","153.15","","153.15","","","","","","","","no","7","P b c a","-P 2ac 2ab","61","2b","2b","","- C32 H41 B2 F8 Fe N7 O4 -","- C32 H41 B2 F8 Fe N7 O4 -","- C256 H328 B16 F64 Fe8 N56 O32 -","8","1","","Zhu, Yuan-Yuan; Li, Hong-Qing; Ding, Zhong-Yu; Lü, Xiao-Jin; Zhao, Liang; Meng, Yin-Shan; Liu, Tao; Gao, Song","Spin transitions in a series of [Fe(pybox)2]2+ complexes modulated by ligand structures, counter anions, and solvents","Inorganic Chemistry Frontiers","2016","3","12","1624","","10.1039/C6QI00417B","","","0.71073","MoKα","","0.0693","0.0663","","","0.1352","0.1365","","","","","","1.264","","","","has coordinates","234891","2020-10-21","18:00:00",""
"4349567","14.1084","0.0019","16.26","0.002","19.256","0.004","101.206","0.002","91.086","0.002","101.768","0.002","4234.2","1.2","296","2","296.15","","","","","","","","no","7","P -1","-P 1","2","3","3","","- C33 H44.5 F12 Fe N6.5 O4.5 P2 -","- C33 H44.5 F12 Fe N6.5 O4.5 P2 -","- C132 H178 F48 Fe4 N26 O18 P8 -","4","2","","Zhu, Yuan-Yuan; Li, Hong-Qing; Ding, Zhong-Yu; Lü, Xiao-Jin; Zhao, Liang; Meng, Yin-Shan; Liu, Tao; Gao, Song","Spin transitions in a series of [Fe(pybox)2]2+ complexes modulated by ligand structures, counter anions, and solvents","Inorganic Chemistry Frontiers","2016","3","12","1624","","10.1039/C6QI00417B","","","0.71073","MoKα","","0.1146","0.0712","","","0.195","0.2314","","","","","","1.022","","","","has coordinates","251896","2020-10-21","18:00:00",""
"4349568","23.3002","0.0004","13.24618","0.00016","24.306","0.0004","90","","114.454","0.002","90","","6828.8","0.2","179.99","0.1","179.99","0.1","","","","","","","no","6","P 1 2/c 1","-P 2yc","13","4-1","4-1","","- C78 H78 B2 Fe N6 O4 -","- C78 H78 B2 Fe N6 O4 -","- C312 H312 B8 Fe4 N24 O16 -","4","1","","Zhu, Yuan-Yuan; Li, Hong-Qing; Ding, Zhong-Yu; Lü, Xiao-Jin; Zhao, Liang; Meng, Yin-Shan; Liu, Tao; Gao, Song","Spin transitions in a series of [Fe(pybox)2]2+ complexes modulated by ligand structures, counter anions, and solvents","Inorganic Chemistry Frontiers","2016","3","12","1624","","10.1039/C6QI00417B","","","1.54184","CuKα","","0.0475","0.0379","","","0.0948","0.1002","","","","","","1.055","","","","has coordinates","234891","2020-10-21","18:00:00",""
"4349569","23.401","0.002","13.517","0.0013","24.582","0.002","90","","113.656","0.001","90","","7122.2","1.1","296","2","296.15","","","","","","","","no","6","P 1 2/c 1","-P 2yc","13","4-2","4-2","","- C78 H78 B2 Fe N6 O4 -","- C78 H78 B2 Fe N6 O4 -","- C312 H312 B8 Fe4 N24 O16 -","4","1","","Zhu, Yuan-Yuan; Li, Hong-Qing; Ding, Zhong-Yu; Lü, Xiao-Jin; Zhao, Liang; Meng, Yin-Shan; Liu, Tao; Gao, Song","Spin transitions in a series of [Fe(pybox)2]2+ complexes modulated by ligand structures, counter anions, and solvents","Inorganic Chemistry Frontiers","2016","3","12","1624","","10.1039/C6QI00417B","","","0.71073","MoKα","","0.0892","0.048","","","0.1146","0.1274","","","","","","1.009","","","","has coordinates","234891","2020-10-21","18:00:00",""
"4349570","15.386","0.003","10.7","0.002","16.934","0.003","90","","103.31","0.03","90","","2713","0.9","173.15","","173.15","","","","","","","","no","6","P 1 21/n 1","-P 2yn","14","5","5","","- C22 H22 Cl2 Fe N6 O12 -","- C22 H22 Cl2 Fe N6 O12 -","- C88 H88 Cl8 Fe4 N24 O48 -","4","1","","Zhu, Yuan-Yuan; Li, Hong-Qing; Ding, Zhong-Yu; Lü, Xiao-Jin; Zhao, Liang; Meng, Yin-Shan; Liu, Tao; Gao, Song","Spin transitions in a series of [Fe(pybox)2]2+ complexes modulated by ligand structures, counter anions, and solvents","Inorganic Chemistry Frontiers","2016","3","12","1624","","10.1039/C6QI00417B","","","0.71073","MoKα","","0.0697","0.0585","","","0.1173","0.1227","","","","","","1.115","","","","has coordinates,has disorder","234891","2020-10-21","18:00:00",""
"4349571","15.5545","0.0011","10.6057","0.0008","17.027","0.0012","90","","103.986","0.001","90","","2725.6","0.3","296","2","296.15","","","","","","","","no","7","P 1 21/n 1","-P 2yn","14","6","6","","- C22 H22 B2 F8 Fe N6 O4 -","- C22 H22 B2 F8 Fe N6 O4 -","- C88 H88 B8 F32 Fe4 N24 O16 -","4","1","","Zhu, Yuan-Yuan; Li, Hong-Qing; Ding, Zhong-Yu; Lü, Xiao-Jin; Zhao, Liang; Meng, Yin-Shan; Liu, Tao; Gao, Song","Spin transitions in a series of [Fe(pybox)2]2+ complexes modulated by ligand structures, counter anions, and solvents","Inorganic Chemistry Frontiers","2016","3","12","1624","","10.1039/C6QI00417B","","","0.71073","MoKα","","0.0636","0.0552","","","0.165","0.1748","","","","","","1.044","","","","has coordinates","234891","2020-10-21","18:00:00",""
"4349572","15.352","0.003","10.908","0.002","20.708","0.004","90","","102.05","0.03","90","","3391.3","1.2","153.15","","153.15","","","","","","","","no","7","P 1 21/c 1","-P 2ybc","14","7-1","7-1","","- C24 H25 F12 Fe N7 O4 P2 -","- C24 H25 F12 Fe N7 O4 P2 -","- C96 H100 F48 Fe4 N28 O16 P8 -","4","1","","Zhu, Yuan-Yuan; Li, Hong-Qing; Ding, Zhong-Yu; Lü, Xiao-Jin; Zhao, Liang; Meng, Yin-Shan; Liu, Tao; Gao, Song","Spin transitions in a series of [Fe(pybox)2]2+ complexes modulated by ligand structures, counter anions, and solvents","Inorganic Chemistry Frontiers","2016","3","12","1624","","10.1039/C6QI00417B","","","0.71073","MoKα","","0.1176","0.0879","","","0.2413","0.2731","","","","","","1.022","","","","has coordinates","234891","2020-10-21","18:00:00",""
"4349573","15.103","0.003","11.142","0.002","20.558","0.004","90","","102.33","0.002","90","","3379.7","1.1","296","2","296.15","","","","","","","","no","7","P 1 21/c 1","-P 2ybc","14","7-2","7-2","","- C24 H25 F12 Fe N7 O4 P2 -","- C24 H25 F12 Fe N7 O4 P2 -","- C96 H100 F48 Fe4 N28 O16 P8 -","4","1","","Zhu, Yuan-Yuan; Li, Hong-Qing; Ding, Zhong-Yu; Lü, Xiao-Jin; Zhao, Liang; Meng, Yin-Shan; Liu, Tao; Gao, Song","Spin transitions in a series of [Fe(pybox)2]2+ complexes modulated by ligand structures, counter anions, and solvents","Inorganic Chemistry Frontiers","2016","3","12","1624","","10.1039/C6QI00417B","","","0.71073","MoKα","","0.0789","0.0585","","","0.1666","0.1847","","","","","","1.042","","","","has coordinates","234891","2020-10-21","18:00:00",""
"4349574","17.4289","0.0004","17.4289","0.0004","37.4287","0.0013","90","","90","","90","","11369.6","0.5","100.01","0.15","100.01","0.15","","","","","","","no","6","I 41/a :2","-I 4ad","88","8-1","8-1","","- C35 H31 B Fe0.5 N3 O2 -","- C35 H31 B Fe0.5 N3 O2 -","- C560 H496 B16 Fe8 N48 O32 -","16","1","","Zhu, Yuan-Yuan; Li, Hong-Qing; Ding, Zhong-Yu; Lü, Xiao-Jin; Zhao, Liang; Meng, Yin-Shan; Liu, Tao; Gao, Song","Spin transitions in a series of [Fe(pybox)2]2+ complexes modulated by ligand structures, counter anions, and solvents","Inorganic Chemistry Frontiers","2016","3","12","1624","","10.1039/C6QI00417B","","","0.71073","MoKα","","0.0708","0.0437","","","0.0961","0.1124","","","","","","1.027","","","","has coordinates","234891","2020-10-21","18:00:00",""
"4349575","17.51122","0.00011","17.51122","0.00011","37.5872","0.0004","90","","90","","90","","11525.8","0.16","180.01","0.1","180.01","0.1","","","","","","","no","6","I 41/a :2","-I 4ad","88","8-2","8-2","","- C35 H31 B Fe0.5 N3 O2 -","- C35 H31 B Fe0.5 N3 O2 -","- C560 H496 B16 Fe8 N48 O32 -","16","1","","Zhu, Yuan-Yuan; Li, Hong-Qing; Ding, Zhong-Yu; Lü, Xiao-Jin; Zhao, Liang; Meng, Yin-Shan; Liu, Tao; Gao, Song","Spin transitions in a series of [Fe(pybox)2]2+ complexes modulated by ligand structures, counter anions, and solvents","Inorganic Chemistry Frontiers","2016","3","12","1624","","10.1039/C6QI00417B","","","1.54184","CuKα","","0.1447","0.1407","","","0.3442","0.3458","","","","","","1.095","","","","has coordinates","234891","2020-10-21","18:00:00",""
"4349576","17.6175","0.0003","17.6175","0.0003","37.7194","0.001","90","","90","","90","","11707.2","0.4","300","0.1","300","0.1","","","","","","","no","6","I 41/a :2","-I 4ad","88","8-3","8-3","","- C35 H31 B Fe0.5 N3 O2 -","- C35 H31 B Fe0.5 N3 O2 -","- C560 H496 B16 Fe8 N48 O32 -","16","1","","Zhu, Yuan-Yuan; Li, Hong-Qing; Ding, Zhong-Yu; Lü, Xiao-Jin; Zhao, Liang; Meng, Yin-Shan; Liu, Tao; Gao, Song","Spin transitions in a series of [Fe(pybox)2]2+ complexes modulated by ligand structures, counter anions, and solvents","Inorganic Chemistry Frontiers","2016","3","12","1624","","10.1039/C6QI00417B","","","0.71073","MoKα","","0.0666","0.0403","","","0.1021","0.1202","","","","","","1.036","","","","has coordinates","234891","2020-10-21","18:00:00",""
"4349577","13.693","0.0005","19.5154","0.0007","24.9934","0.0011","90","","92.184","0.004","90","","6674","0.5","120","2","120","2","","","","","","","none","7","P 1 21/c 1","-P 2ybc","14","1(BF4)","1(BF4)-LP","","- C60 H76 B4 F16 Fe2 N12 O8 -","- C60 H76 B4 F16 Fe2 N12 O8 -","- C240 H304 B16 F64 Fe8 N48 O32 -","4","1","","Zhu, Yuan-Yuan; Li, Hong-Qing; Ding, Zhong-Yu; Lü, Xiao-Jin; Zhao, Liang; Meng, Yin-Shan; Liu, Tao; Gao, Song","Spin transitions in a series of [Fe(pybox)2]2+ complexes modulated by ligand structures, counter anions, and solvents","Inorganic Chemistry Frontiers","2016","3","12","1624","","10.1039/C6QI00417B","","","1.54178","CuKα","","0.1298","0.1187","","","0.3433","0.3517","","","","","","1.086","","","","has coordinates,has disorder","234891","2020-10-21","18:00:00",""
"4513702","7.9863","0.0012","8.387","0.0013","14.661","0.002","86.954","0.002","82.083","0.002","89.148","0.002","971.2","0.2","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C42 H32 N12 O8 U -","- C42 H32 N12 O8 U -","- C42 H32 N12 O8 U -","1","0.5","","Thangavelu, Sonia G.; Cahill, Christopher L.","A Family of Uranyl Coordination Polymers Containing O-Donor Dicarboxylates and Trispyridyltriazine Guests","Crystal Growth & Design","2016","16","1","42","","10.1021/acs.cgd.5b00778","","","0.71073","MoKα","","0.0307","0.0304","","","0.075","0.0753","","","","","","1.047","","","","has coordinates","175771","2020-10-21","18:00:00",""
"4513703","7.4226","0.0007","8.8963","0.0009","14.8043","0.0015","93.345","0.001","94.804","0.001","91.285","0.001","972.12","0.17","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C44 H28 N12 O8 U -","- C44 H28 N12 O8 U -","- C44 H28 N12 O8 U -","1","0.5","","Thangavelu, Sonia G.; Cahill, Christopher L.","A Family of Uranyl Coordination Polymers Containing O-Donor Dicarboxylates and Trispyridyltriazine Guests","Crystal Growth & Design","2016","16","1","42","","10.1021/acs.cgd.5b00778","","","0.71073","MoKα","","0.0168","0.0168","","","0.0444","0.0444","","","","","","1.11","","","","has coordinates","175771","2020-10-21","18:00:00",""
"4513704","23.2799","0.001","8.1784","0.0004","19.5232","0.0008","90","","90","","90","","3717.1","0.3","100","2","100","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C42 H25 N6 Na O11 U -","- C42 H25 N6 Na O11 U -","- C168 H100 N24 Na4 O44 U4 -","4","1","","Thangavelu, Sonia G.; Cahill, Christopher L.","A Family of Uranyl Coordination Polymers Containing O-Donor Dicarboxylates and Trispyridyltriazine Guests","Crystal Growth & Design","2016","16","1","42","","10.1021/acs.cgd.5b00778","","","0.71073","MoKα","","0.0181","0.015","","","0.0347","0.0353","","","","","","1.051","","","","has coordinates","175771","2020-10-21","18:00:00",""
"4513705","9.3441","0.0004","13.2595","0.0005","16.5534","0.0006","99.179","0.001","101.204","0.001","106.388","0.001","1879.38","0.13","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C40 H24 N7 Na O9 U -","- C40 H24 N7 Na O9 U -","- C80 H48 N14 Na2 O18 U2 -","2","1","","Thangavelu, Sonia G.; Cahill, Christopher L.","A Family of Uranyl Coordination Polymers Containing O-Donor Dicarboxylates and Trispyridyltriazine Guests","Crystal Growth & Design","2016","16","1","42","","10.1021/acs.cgd.5b00778","","","0.71073","MoKα","","0.0271","0.0223","","","0.0527","0.0544","","","","","","1.059","","","","has coordinates","175771","2020-10-21","18:00:00",""
"4513706","10.0451","0.0005","8.6712","0.0005","12.9992","0.0007","90","","102.513","0.006","90","","1105.38","0.11","294.9","0.3","294.9","0.3","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C23 H30 N2 O7 -","- C23 H30 N2 O7 -","- C46 H60 N4 O14 -","2","1","","Sánchez-Guadarrama, Obdulia; Mendoza-Navarro, Fabiola; Cedillo-Cruz, Alberto; Jung-Cook, Helgi; Arenas-García, Jenniffer I.; Delgado-Díaz, Alejandra; Herrera-Ruiz, Dea; Morales-Rojas, Hugo; Höpfl, Herbert","Chiral Resolution ofRS-Praziquantel via Diastereomeric Co-Crystal Pair Formation withl-Malic Acid","Crystal Growth & Design","2016","16","1","307","","10.1021/acs.cgd.5b01254","","x-ray","0.71073","MoKα","","0.0438","0.0397","","","0.0872","0.0899","","","","","","1.051","","","","has coordinates,has disorder","175772","2020-10-21","18:00:00",""
"4513707","10.6543","0.001","8.4144","0.0007","13.5321","0.0011","90","","112.765","0.01","90","","1118.64","0.19","294.8","0.3","294.8","0.3","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C23 H30 N2 O7 -","- C23 H30 N2 O7 -","- C46 H60 N4 O14 -","2","1","","Sánchez-Guadarrama, Obdulia; Mendoza-Navarro, Fabiola; Cedillo-Cruz, Alberto; Jung-Cook, Helgi; Arenas-García, Jenniffer I.; Delgado-Díaz, Alejandra; Herrera-Ruiz, Dea; Morales-Rojas, Hugo; Höpfl, Herbert","Chiral Resolution ofRS-Praziquantel via Diastereomeric Co-Crystal Pair Formation withl-Malic Acid","Crystal Growth & Design","2016","16","1","307","","10.1021/acs.cgd.5b01254","","x-ray","0.71073","MoKα","","0.0488","0.0434","","","0.0991","0.1028","","","","","","1.08","","","","has coordinates","175772","2020-10-21","18:00:00",""
"4513708","14.3346","0.0003","14.3346","0.0003","31.2665","0.0013","90","","90","","120","","5563.9","0.3","120","2","120","2","","","","","","","","5","R 3 :H","R 3","146","","","","- C74.33 Cl6 Fe O12 P3 -","- C72 H45 Cl6 Fe O12 P3.003 -","- C216 H135 Cl18 Fe3 O36 P9.009 -","3","0.333333","","Benmansour, Samia; Gómez-Claramunt, Patricia; Vallés-García, Cristina; Mínguez Espallargas, Guillermo; Gómez García, Carlos J.","Key Role of the Cation in the Crystallization of Chiral Tris(Anilato)Metalate Magnetic Anions","Crystal Growth & Design","2016","16","1","518","","10.1021/acs.cgd.5b01573","","","0.71073","MoKα","","0.1551","0.1175","","","0.3126","0.3487","","","","","","1.204","","","","has coordinates,has disorder","175769","2020-10-21","18:00:00",""
"4513709","13.7613","0.0003","14.5276","0.0004","19.3308","0.0005","90","","90","","90","","3864.59","0.17","120","2","120","2","","","","","","","","6","P 2 c b","P -2bc 2","32","","","","- C81 H66 Cl6 Ga O12 P3 -","- C81 H66 Cl6 Ga O12 P3 -","- C162 H132 Cl12 Ga2 O24 P6 -","2","0.5","","Benmansour, Samia; Gómez-Claramunt, Patricia; Vallés-García, Cristina; Mínguez Espallargas, Guillermo; Gómez García, Carlos J.","Key Role of the Cation in the Crystallization of Chiral Tris(Anilato)Metalate Magnetic Anions","Crystal Growth & Design","2016","16","1","518","","10.1021/acs.cgd.5b01573","","","0.71073","MoKα","","0.1021","0.0805","","","0.207","0.22","","","","","","1.098","","","","has coordinates,has disorder","175769","2020-10-21","18:00:00",""
"4513710","14.4289","0.0004","14.4289","0.0004","31.393","0.0011","90","","90","","120","","5660.2","0.3","120","2","120","2","","","","","","","","6","R 3","R 3","146","","","","- C78 H60 Br6 Fe O12 P3 -","- C75 H45 Br6 Fe O12 P3 -","- C225 H135 Br18 Fe3 O36 P9 -","3","","","Benmansour, Samia; Gómez-Claramunt, Patricia; Vallés-García, Cristina; Mínguez Espallargas, Guillermo; Gómez García, Carlos J.","Key Role of the Cation in the Crystallization of Chiral Tris(Anilato)Metalate Magnetic Anions","Crystal Growth & Design","2016","16","1","518","","10.1021/acs.cgd.5b01573","","","0.71073","MoKα","","0.1069","0.0875","","","0.2328","0.254","","","","","","1.076","","","","has coordinates,has disorder","175769","2020-10-21","18:00:00",""
"4513711","11.1092","0.0012","12.641","0.0014","30.199","0.003","85.474","0.009","85.232","0.009","68.212","0.01","3919","0.8","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","","","- C66 H108 Fe N6 O24 P3 -","- C66 H108 Fe N6 O24 P3 -","- C132 H216 Fe2 N12 O48 P6 -","2","1","","Benmansour, Samia; Gómez-Claramunt, Patricia; Vallés-García, Cristina; Mínguez Espallargas, Guillermo; Gómez García, Carlos J.","Key Role of the Cation in the Crystallization of Chiral Tris(Anilato)Metalate Magnetic Anions","Crystal Growth & Design","2016","16","1","518","","10.1021/acs.cgd.5b01573","","","0.71073","MoKα","","0.2861","0.1022","","","0.1954","0.2727","","","","","","0.978","","","","has coordinates,has disorder","175769","2020-10-21","18:00:00",""
"4513712","11.1016","0.0008","12.615","0.002","30.134","0.003","85.271","0.01","85.275","0.007","68.409","0.01","3904.5","0.8","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","","","- C66 H108 Cr N6 O24 P3 -","- C66 H108 Cr N6 O24 P3 -","- C132 H216 Cr2 N12 O48 P6 -","2","1","","Benmansour, Samia; Gómez-Claramunt, Patricia; Vallés-García, Cristina; Mínguez Espallargas, Guillermo; Gómez García, Carlos J.","Key Role of the Cation in the Crystallization of Chiral Tris(Anilato)Metalate Magnetic Anions","Crystal Growth & Design","2016","16","1","518","","10.1021/acs.cgd.5b01573","","","0.71073","MoKα","","0.304","0.1058","","","0.1249","0.1953","","","","","","0.954","","","","has coordinates","175769","2020-10-21","18:00:00",""
"4513713","13.7948","0.0004","14.5418","0.0004","19.4102","0.0005","90","","90","","90","","3893.71","0.19","120","2","120","2","","","","","","","","6","P 2 c b","P -2bc 2","32","","","","- C81 H67 Cl6 Fe O12 P3 -","- C81 H67 Cl6 Fe O12 P3 -","- C162 H134 Cl12 Fe2 O24 P6 -","2","0.5","","Benmansour, Samia; Gómez-Claramunt, Patricia; Vallés-García, Cristina; Mínguez Espallargas, Guillermo; Gómez García, Carlos J.","Key Role of the Cation in the Crystallization of Chiral Tris(Anilato)Metalate Magnetic Anions","Crystal Growth & Design","2016","16","1","518","","10.1021/acs.cgd.5b01573","","","0.71073","MoKα","","0.102","0.0782","","","0.2043","0.2211","","","","","","1.102","","","","has coordinates,has disorder","175769","2020-10-21","18:00:00",""
"4513714","25.395","0.009","5.043","0.0017","27.771","0.01","90","","96.397","0.012","90","","3534","2","150","","150","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C19 H24 N2 O4 -","- C19 H24 N2 O4 -","- C152 H192 N16 O32 -","8","1","","Martins, Inês C. B.; Sardo, Mariana; Santos, Sérgio M.; Fernandes, Auguste; Antunes, Alexandra; André, Vânia; Mafra, Luís; Duarte, M. Teresa","Packing Interactions and Physicochemical Properties of Novel Multicomponent Crystal Forms of the Anti-Inflammatory Azelaic Acid Studied by X-ray and Solid-State NMR","Crystal Growth & Design","2016","16","1","154","","10.1021/acs.cgd.5b01057","","","0.71073","MoKα","","0.2114","0.0828","","","0.1737","0.233","","","","","","0.903","","","","has coordinates","175768","2020-10-21","18:00:00",""
"4513715","10.3635","0.0018","7.6322","0.0018","33.649","0.006","90","","90","","90","","2661.5","0.9","150","","150","","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C12 H22 N O4 -","- C12 H22 N O4 -","- C96 H176 N8 O32 -","8","1","","Martins, Inês C. B.; Sardo, Mariana; Santos, Sérgio M.; Fernandes, Auguste; Antunes, Alexandra; André, Vânia; Mafra, Luís; Duarte, M. Teresa","Packing Interactions and Physicochemical Properties of Novel Multicomponent Crystal Forms of the Anti-Inflammatory Azelaic Acid Studied by X-ray and Solid-State NMR","Crystal Growth & Design","2016","16","1","154","","10.1021/acs.cgd.5b01057","","","0.71073","MoKα","","0.2392","0.0946","","","0.2214","0.2874","","","","","","0.893","","","","has coordinates","175768","2020-10-21","18:00:00",""
"4513716","5.4707","0.0013","11.392","0.002","23.997","0.005","102.811","0.008","93.137","0.009","99.602","0.01","1431.3","0.5","150","","150","","","","","","","","","4","P -1","-P 1","2","","","","- C26 H50 N2 O10 -","- C26 H50 N2 O10 -","- C52 H100 N4 O20 -","2","1","","Martins, Inês C. B.; Sardo, Mariana; Santos, Sérgio M.; Fernandes, Auguste; Antunes, Alexandra; André, Vânia; Mafra, Luís; Duarte, M. Teresa","Packing Interactions and Physicochemical Properties of Novel Multicomponent Crystal Forms of the Anti-Inflammatory Azelaic Acid Studied by X-ray and Solid-State NMR","Crystal Growth & Design","2016","16","1","154","","10.1021/acs.cgd.5b01057","","","0.71073","MoKα","","0.1164","0.056","","","0.1104","0.1319","","","","","","0.975","","","","has coordinates","175768","2020-10-21","18:00:00",""
"4513717","8.024","0.002","9.472","0.002","17.545","0.004","96.603","0.01","98.893","0.007","93.006","0.008","1305.4","0.5","150","","150","","","","","","","","","4","P -1","-P 1","2","","","","- C22 H46 N2 O10 -","- C22 H46 N2 O10 -","- C44 H92 N4 O20 -","2","1","","Martins, Inês C. B.; Sardo, Mariana; Santos, Sérgio M.; Fernandes, Auguste; Antunes, Alexandra; André, Vânia; Mafra, Luís; Duarte, M. Teresa","Packing Interactions and Physicochemical Properties of Novel Multicomponent Crystal Forms of the Anti-Inflammatory Azelaic Acid Studied by X-ray and Solid-State NMR","Crystal Growth & Design","2016","16","1","154","","10.1021/acs.cgd.5b01057","","","0.71073","MoKα","","0.1703","0.0727","","","0.1521","0.1794","","","","","","0.868","","","","has coordinates","175768","2020-10-21","18:00:00",""
"4513718","5.706","0.009","9.274","0.002","14.059","0.003","90","","98.052","0.007","90","","736.6","1.2","150","","150","","","","","","","","","4","P 1 2/c 1","-P 2yc","13","","","","- C13 H26 N2 O4 -","- C13 H26 N2 O4 -","- C26 H52 N4 O8 -","2","0.5","","Martins, Inês C. B.; Sardo, Mariana; Santos, Sérgio M.; Fernandes, Auguste; Antunes, Alexandra; André, Vânia; Mafra, Luís; Duarte, M. Teresa","Packing Interactions and Physicochemical Properties of Novel Multicomponent Crystal Forms of the Anti-Inflammatory Azelaic Acid Studied by X-ray and Solid-State NMR","Crystal Growth & Design","2016","16","1","154","","10.1021/acs.cgd.5b01057","","","0.71069","MoKα","","0.1048","0.0528","","","0.1231","0.1389","","","","","","0.952","","","","has coordinates","175768","2020-10-21","18:00:00",""
"4513725","6.2669","0.0003","11.7767","0.0008","11.965","0.0007","66.479","0.005","76.664","0.004","77.411","0.005","779.97","0.09","200","2","200","2","","","","","","","","5","P 1","P 1","1","","","","- C30 H39 Cl Li4 O6 -","- C30 H39 Cl Li4 O6 -","- C30 H39 Cl Li4 O6 -","1","1","","Crochet, Aurélien; Brog, Jean-Pierre; Fromm, Katharina M.","Mixed Metal Multinuclear Cr(III) Cage Compounds and Coordination Polymers Based on Unsubstituted Phenolate: Design, Synthesis, Mechanism, and Properties","Crystal Growth & Design","2016","16","1","189","","10.1021/acs.cgd.5b01084","","x-ray","0.71073","MoKα","","0.2114","0.0982","","","0.1037","0.1257","","","","","","0.965","","","","has coordinates","175770","2020-10-21","18:00:00",""
"4513726","14.0733","0.0003","19.226","0.0005","26.8165","0.0007","90","","90.716","0.002","90","","7255.3","0.3","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C72 H89 Cl2 Cr2 Li5 O15 -","- C72 H88 Cl2 Cr2 Li5 O15 -","- C288 H352 Cl8 Cr8 Li20 O60 -","4","1","","Crochet, Aurélien; Brog, Jean-Pierre; Fromm, Katharina M.","Mixed Metal Multinuclear Cr(III) Cage Compounds and Coordination Polymers Based on Unsubstituted Phenolate: Design, Synthesis, Mechanism, and Properties","Crystal Growth & Design","2016","16","1","189","","10.1021/acs.cgd.5b01084","","x-ray","0.71073","MoKα","","0.1748","0.0946","","","0.2144","0.2539","","","","","","1.058","","","","has coordinates","175770","2020-10-21","18:00:00",""
"4513727","15.3093","0.0005","13.7569","0.0003","17.2503","0.0006","90","","106.529","0.003","90","","3482.93","0.19","200","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C72 H90 Cr2 Li4 O16 -","- C72 H90 Cr2 Li4 O16 -","- C144 H180 Cr4 Li8 O32 -","2","0.5","","Crochet, Aurélien; Brog, Jean-Pierre; Fromm, Katharina M.","Mixed Metal Multinuclear Cr(III) Cage Compounds and Coordination Polymers Based on Unsubstituted Phenolate: Design, Synthesis, Mechanism, and Properties","Crystal Growth & Design","2016","16","1","189","","10.1021/acs.cgd.5b01084","","x-ray","0.71073","MoKα","","0.0887","0.0788","","","0.2096","0.2175","","","","","","1.036","","","","has coordinates","175770","2020-10-21","18:00:00",""
"4513728","31.8702","0.0005","31.8702","0.0005","31.8702","0.0005","90","","90","","90","","32370.9","0.9","200","2","200","2","","","","","","","","5","I -4 3 d","I -4bd 2c 3","220","","","","- C78 H94 Cr3 Li3 O17 -","- C78 H93 Cr3 Li3 O17 -","- C1248 H1488 Cr48 Li48 O272 -","16","0.333333","","Crochet, Aurélien; Brog, Jean-Pierre; Fromm, Katharina M.","Mixed Metal Multinuclear Cr(III) Cage Compounds and Coordination Polymers Based on Unsubstituted Phenolate: Design, Synthesis, Mechanism, and Properties","Crystal Growth & Design","2016","16","1","189","","10.1021/acs.cgd.5b01084","","","0.71073","MoKα","","0.0965","0.0809","","","0.1543","0.1607","","","","","","1.203","","","","has coordinates","175770","2020-10-21","18:00:00",""
"4513729","14.41","0.002","15.24","0.002","17.062","0.003","65.919","0.011","76.997","0.013","72.015","0.012","3232.5","0.9","200","2","200","2","","","","","","","","7","P -1","-P 1","2","","","","- C104 H132 Cl2 Cr4 Li8 Ni O28 -","- C104 H124 Cl2 Cr4 Li8 Ni O28 -","- C104 H124 Cl2 Cr4 Li8 Ni O28 -","1","0.5","","Crochet, Aurélien; Brog, Jean-Pierre; Fromm, Katharina M.","Mixed Metal Multinuclear Cr(III) Cage Compounds and Coordination Polymers Based on Unsubstituted Phenolate: Design, Synthesis, Mechanism, and Properties","Crystal Growth & Design","2016","16","1","189","","10.1021/acs.cgd.5b01084","","x-ray","0.71073","MoKα","","0.3969","0.149","","","0.2174","0.309","","","","","","0.81","","","","has coordinates","175770","2020-10-21","18:00:00",""
"4513730","3.9645","0.0002","7.2398","0.0004","9.2813","0.0005","86.918","0.004","79.841","0.004","87.105","0.004","261.61","0.02","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C8 H16 Cl2 Cr O2 -","- C8 H16 Cl2 Cr O2 -","- C8 H16 Cl2 Cr O2 -","1","0.5","","Crochet, Aurélien; Brog, Jean-Pierre; Fromm, Katharina M.","Mixed Metal Multinuclear Cr(III) Cage Compounds and Coordination Polymers Based on Unsubstituted Phenolate: Design, Synthesis, Mechanism, and Properties","Crystal Growth & Design","2016","16","1","189","","10.1021/acs.cgd.5b01084","","x-ray","0.71073","MoKα","","0.0492","0.0402","","","0.1196","0.1213","","","","","","1.344","","","","has coordinates","175770","2020-10-21","18:00:00",""
"4513731","13.639","0.0003","14.463","0.0003","14.391","0.0003","98.203","0.002","109.422","0.001","115.869","0.001","2266.23","0.1","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C80 H112 Cl2 Cr4 Li6 O24 -","- C80 H112 Cl2 Cr4 Li6 O24 -","- C80 H112 Cl2 Cr4 Li6 O24 -","1","0.5","","Crochet, Aurélien; Brog, Jean-Pierre; Fromm, Katharina M.","Mixed Metal Multinuclear Cr(III) Cage Compounds and Coordination Polymers Based on Unsubstituted Phenolate: Design, Synthesis, Mechanism, and Properties","Crystal Growth & Design","2016","16","1","189","","10.1021/acs.cgd.5b01084","","x-ray","0.71073","MoKα","","0.095","0.0789","","","0.1781","0.1862","","","","","","1.091","","","","has coordinates","175770","2020-10-21","18:00:00",""
"4513733","10.1264","0.0007","11.3087","0.0007","11.5564","0.0011","67.874","0.007","65.23","0.008","83.135","0.005","1112","0.18","293","2","293.15","","","","","","","","","4","P -1","-P 1","2","","","","- C29 H21 N3 O2 -","- C29 H21 N3 O2 -","- C58 H42 N6 O4 -","2","1","","Liao, Wen-Li; Li, Shi-Qiang; Wang, Jun; Zhang, Zhi-Yu; Yang, Zhi-Wei; Xu, Di; Xu, Chuan; Lan, Hai-Tao; Chen, Zhong-Zhu; Xu, Zhi-Gang","An Efficient and Facile Method for the Synthesis of Benzimidazoisoquinoline Derivatives via a Multicomponent Reaction.","ACS combinatorial science","2016","18","1","65","69","10.1021/acscombsci.5b00145","","x-ray","0.71073","MoKα","","0.0839","0.0446","","","0.0822","0.0981","","","","","","0.983","","","","has coordinates","175766","2020-10-21","18:00:00",""
"4513734","8.5482","0.0017","11.007","0.002","12.743","0.003","73.48","0.03","82.03","0.03","83.95","0.03","1135.6","0.4","","","","","","","","","","","","6","P -1","-P 1","2","","","","- C20 H21 N2 O9 P S -","- C20 H21 N2 O9 P S -","- C40 H42 N4 O18 P2 S2 -","2","1","","Wang, Xiaoyan; Feng, Mengli; Xiao, Lu; Tong, Aijun; Xiang, Yu","Postsynthetic Modification of DNA Phosphodiester Backbone for Photocaged DNAzyme.","ACS chemical biology","2016","11","2","444","451","10.1021/acschembio.5b00867","","","0.71073","MoKα","","0.0954","0.0724","","","","0.1855","","","","","","1.1656","","","","has coordinates","177377","2020-10-21","18:00:00",""
"4513735","8.6895","0.0004","9.8563","0.0006","30.266","0.002","90","","94.399","0.005","90","","2584.5","0.3","291","2","291.15","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C29 H32 N2 O2 -","- C29 H32 N2 O2 -","- C116 H128 N8 O8 -","4","1","","Kuai, Changsheng; Wang, Lianhui; Cui, Haoyi; Shen, Jinhai; Feng, Yadong; Cui, Xiuling","Efficient and Selective Synthesis of (E)-Enamides via Ru(II)-Catalyzed Hydroamidation of Internal Alkynes","ACS Catalysis","2016","6","1","186","","10.1021/acscatal.5b01791","","","1.54184","CuKα","","0.0473","0.0383","","","0.0978","0.1038","","","","","","1.025","","","","has coordinates","175757","2020-10-21","18:00:00",""
"4513736","12.864","0.001","9.812","0.001","13.652","0.0009","90","","92.938","0.002","90","","1720.9","0.2","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C23 H20 N2 O -","- C23 H20 N2 O -","- C92 H80 N8 O4 -","4","1","","Nicholls, Thomas P.; Constable, Grace E.; Robertson, Johnathon C.; Gardiner, Michael G.; Bissember, Alex C.","Brønsted Acid Cocatalysis in Copper(I)-Photocatalyzed α-Amino C‒H Bond Functionalization","ACS Catalysis","2016","6","1","451","","10.1021/acscatal.5b02014","","","0.7109","Synchrotron","","0.0559","0.0514","","","0.1291","0.1359","","","","","","1.075","","","","has coordinates","175758","2020-10-21","18:00:00",""
"4513737","11.342","0.0014","6.528","0.0011","21.294","0.002","90","","95.503","0.002","90","","1569.4","0.4","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H11 F5 N2 O2 -","- C18 H11 F5 N2 O2 -","- C72 H44 F20 N8 O8 -","4","1","","Nicholls, Thomas P.; Constable, Grace E.; Robertson, Johnathon C.; Gardiner, Michael G.; Bissember, Alex C.","Brønsted Acid Cocatalysis in Copper(I)-Photocatalyzed α-Amino C‒H Bond Functionalization","ACS Catalysis","2016","6","1","451","","10.1021/acscatal.5b02014","","","0.71079","Synchrotron","","0.0494","0.0441","","","0.1116","0.1152","","","","","","1.059","","","","has coordinates","175758","2020-10-21","18:00:00",""
"4513738","7.784","0.005","10.507","0.003","11.117","0.003","106.154","0.005","96.466","0.008","97.82","0.02","854.3","0.6","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C21 H21 N3 -","- C21 H21 N3 -","- C42 H42 N6 -","2","1","","Nicholls, Thomas P.; Constable, Grace E.; Robertson, Johnathon C.; Gardiner, Michael G.; Bissember, Alex C.","Brønsted Acid Cocatalysis in Copper(I)-Photocatalyzed α-Amino C‒H Bond Functionalization","ACS Catalysis","2016","6","1","451","","10.1021/acscatal.5b02014","","","0.7109","Synchrotron","","0.0558","0.0458","","","0.1127","0.118","","","","","","1.052","","","","has coordinates","175758","2020-10-21","18:00:00",""
"4513739","12.243","0.0011","7.246","0.0015","21.867","0.0019","90","","105.022","0.002","90","","1873.6","0.5","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C25 H19 F N2 O2 -","- C25 H19 F N2 O2 -","- C100 H76 F4 N8 O8 -","4","1","","Nicholls, Thomas P.; Constable, Grace E.; Robertson, Johnathon C.; Gardiner, Michael G.; Bissember, Alex C.","Brønsted Acid Cocatalysis in Copper(I)-Photocatalyzed α-Amino C‒H Bond Functionalization","ACS Catalysis","2016","6","1","451","","10.1021/acscatal.5b02014","","","0.7108","Synchrotron","","0.0795","0.0624","","","0.1529","0.165","","","","","","1.103","","","","has coordinates","175758","2020-10-21","18:00:00",""
"4513740","10.221","0.0009","6.258","0.001","24.249","0.002","90","","97.531","0.001","90","","1537.7","0.3","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H15 Br N2 O2 -","- C18 H15 Br N2 O2 -","- C72 H60 Br4 N8 O8 -","4","1","","Nicholls, Thomas P.; Constable, Grace E.; Robertson, Johnathon C.; Gardiner, Michael G.; Bissember, Alex C.","Brønsted Acid Cocatalysis in Copper(I)-Photocatalyzed α-Amino C‒H Bond Functionalization","ACS Catalysis","2016","6","1","451","","10.1021/acscatal.5b02014","","","0.7108","Synchrotron","","0.0471","0.0437","","","0.1147","0.1172","","","","","","1.049","","","","has coordinates","175758","2020-10-21","18:00:00",""
"4513741","12.2626","0.0003","7.2788","0.0002","12.3394","0.0003","90","","104.51","0.002","90","","1066.25","0.05","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C25.57 H21.14 Cl1.13 N2 O2 -","- C25.568 H21.136 Cl1.136 N2 O2 -","- C51.136 H42.272 Cl2.272 N4 O4 -","2","1","","Nicholls, Thomas P.; Constable, Grace E.; Robertson, Johnathon C.; Gardiner, Michael G.; Bissember, Alex C.","Brønsted Acid Cocatalysis in Copper(I)-Photocatalyzed α-Amino C‒H Bond Functionalization","ACS Catalysis","2016","6","1","451","","10.1021/acscatal.5b02014","","","1.54184","CuKα","","0.0477","0.0383","","","0.0839","0.0882","","","","","","1.057","","","","has coordinates,has disorder","175758","2020-10-21","18:00:00",""
"4513742","5.238","0.002","12.589","0.002","11.597","0.003","90","","91.334","0.015","90","","764.5","0.4","100","2","100","2","","","","","","","","4","P 1 c 1","P -2yc","7","","","","- C20 H18 N2 O2 -","- C20 H18 N2 O2 -","- C40 H36 N4 O4 -","2","1","","Nicholls, Thomas P.; Constable, Grace E.; Robertson, Johnathon C.; Gardiner, Michael G.; Bissember, Alex C.","Brønsted Acid Cocatalysis in Copper(I)-Photocatalyzed α-Amino C‒H Bond Functionalization","ACS Catalysis","2016","6","1","451","","10.1021/acscatal.5b02014","","","0.7109","Synchrotron","","0.0378","0.0365","","","0.0982","0.1021","","","","","","1.061","","","","has coordinates","175758","2020-10-21","18:00:00",""
"4513743","8.6369","0.0003","26.751","0.0008","6.9978","0.0002","90","","106.79","0.001","90","","1547.89","0.08","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H14 Br N3 -","- C18 H14 Br N3 -","- C72 H56 Br4 N12 -","4","1","","Nicholls, Thomas P.; Constable, Grace E.; Robertson, Johnathon C.; Gardiner, Michael G.; Bissember, Alex C.","Brønsted Acid Cocatalysis in Copper(I)-Photocatalyzed α-Amino C‒H Bond Functionalization","ACS Catalysis","2016","6","1","451","","10.1021/acscatal.5b02014","","","1.54178","CuKα","","0.023","0.0223","","","0.0532","0.0536","","","","","","1.14","","","","has coordinates","175758","2020-10-21","18:00:00",""
"4513744","9.882","0.002","36.918","0.005","8.62","0.004","90","","99.99","0.011","90","","3097.1","1.6","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H18 N2 O2 -","- C19 H18 N2 O2 -","- C152 H144 N16 O16 -","8","2","","Nicholls, Thomas P.; Constable, Grace E.; Robertson, Johnathon C.; Gardiner, Michael G.; Bissember, Alex C.","Brønsted Acid Cocatalysis in Copper(I)-Photocatalyzed α-Amino C‒H Bond Functionalization","ACS Catalysis","2016","6","1","451","","10.1021/acscatal.5b02014","","","0.7109","Synchrotron","","0.0744","0.0559","","","0.1358","0.1474","","","","","","1.057","","","","has coordinates","175758","2020-10-21","18:00:00",""
"4513745","12.352","0.0014","7.361","0.0017","22.122","0.001","90","","98.421","0.008","90","","1989.7","0.5","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C26 H22 N2 O3 -","- C26 H22 N2 O3 -","- C104 H88 N8 O12 -","4","1","","Nicholls, Thomas P.; Constable, Grace E.; Robertson, Johnathon C.; Gardiner, Michael G.; Bissember, Alex C.","Brønsted Acid Cocatalysis in Copper(I)-Photocatalyzed α-Amino C‒H Bond Functionalization","ACS Catalysis","2016","6","1","451","","10.1021/acscatal.5b02014","","","0.7108","Synchrotron","","0.0626","0.0518","","","0.1335","0.1414","","","","","","1.036","","","","has coordinates","175758","2020-10-21","18:00:00",""
"4513746","11.035","0.0008","6.9","0.0005","11.373","0.002","90","","115.012","0.004","90","","784.75","0.16","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C20 H18 N2 O2 -","- C20 H18 N2 O2 -","- C40 H36 N4 O4 -","2","1","","Nicholls, Thomas P.; Constable, Grace E.; Robertson, Johnathon C.; Gardiner, Michael G.; Bissember, Alex C.","Brønsted Acid Cocatalysis in Copper(I)-Photocatalyzed α-Amino C‒H Bond Functionalization","ACS Catalysis","2016","6","1","451","","10.1021/acscatal.5b02014","","","0.7109","MoKα","","0.0905","0.0776","","","0.2197","0.2324","","","","","","1.07","","","","has coordinates","175758","2020-10-21","18:00:00",""
"4513747","7.91984","0.00013","7.77745","0.00013","16.8551","0.0003","90","","101.445","0.0017","90","","1017.57","0.03","293","","293","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C22 H13 F5 N4 O2 -","- C22 H13 F5 N4 O2 -","- C44 H26 F10 N8 O4 -","2","1","","Xu, Yali; Liao, Yuting; Lin, Lili; Zhou, Yuhang; Li, Jun; Liu, Xiaohua; Feng, Xiaoming","Catalytic Asymmetric Inverse-Electron Demand 1,3-Dipolar Cycloaddition of Isoquinolinium Methylides with Enecarbamates by a ChiralN,N′-Dioxide/Ag(I) Complex","ACS Catalysis","2016","6","2","589","","10.1021/acscatal.5b02178","","x-ray","1.54184","CuKα","","0.0555","0.0502","","","0.135","0.1418","","","","","","1.042","","","","has coordinates","177379","2020-10-21","18:00:00",""
"4513748","9.7227","0.0006","23.8357","0.0014","8.7364","0.0005","90","","90","","90","","2024.6","0.2","100","2","100","2","","","","","","","","6","P 21 21 2","P 2 2ab","18","","","","- C23.73 H18.45 Cl0.7 N O3.12 S -","- C23.725 H18.45 Cl0.7 N O3.125 S -","- C94.9 H73.8 Cl2.8 N4 O12.5 S4 -","4","1","","Izquierdo, Javier; Pericàs, Miquel A.","A Recyclable, Immobilized Analogue of Benzotetramisole for Catalytic Enantioselective Domino Michael Addition/Cyclization Reactions in Batch and Flow","ACS Catalysis","2016","6","1","348","","10.1021/acscatal.5b02121","","","0.71073","MoKα","","0.0546","0.0443","","","0.1036","0.1097","","","","","","1.049","","","","has coordinates,has disorder","175759","2020-10-21","18:00:00",""
"4513749","5.9234","0.0003","17.5385","0.0009","11.7578","0.0005","90","","95.5438","0.0011","90","","1215.78","0.1","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C30 H25 N O3 S -","- C30 H25 N O3 S -","- C60 H50 N2 O6 S2 -","2","1","","Izquierdo, Javier; Pericàs, Miquel A.","A Recyclable, Immobilized Analogue of Benzotetramisole for Catalytic Enantioselective Domino Michael Addition/Cyclization Reactions in Batch and Flow","ACS Catalysis","2016","6","1","348","","10.1021/acscatal.5b02121","","","0.71073","MoKα","","0.034","0.0321","","","0.0872","0.0888","","","","","","1.056","","","","has coordinates","175759","2020-10-21","18:00:00",""
"4513750","9.8811","0.0005","10.2565","0.0005","15.4749","0.0007","90","","90","","90","","1568.31","0.13","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C19 H16 N2 O S -","- C19 H16 N2 O S -","- C76 H64 N8 O4 S4 -","4","1","","Izquierdo, Javier; Pericàs, Miquel A.","A Recyclable, Immobilized Analogue of Benzotetramisole for Catalytic Enantioselective Domino Michael Addition/Cyclization Reactions in Batch and Flow","ACS Catalysis","2016","6","1","348","","10.1021/acscatal.5b02121","","","0.71073","MoKα","","0.0424","0.0366","","","0.0844","0.0877","","","","","","1.02","","","","has coordinates","258458","2020-10-21","18:00:00",""
"4513753","14.407","0.0011","7.3079","0.0005","11.1275","0.0009","90","","109.808","0.009","90","","1102.24","0.16","123.01","0.1","123.01","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C13 H4 F5 N S -","- C13 H4 F5 N S -","- C52 H16 F20 N4 S4 -","4","1","","Meyer, Andreas U.; Slanina, Tomáš; Yao, Chang-Jiang; König, Burkhard","Metal-Free Perfluoroarylation by Visible Light Photoredox Catalysis","ACS Catalysis","2016","6","1","369","","10.1021/acscatal.5b02410","","x-ray","1.54184","CuKα","","0.0337","0.0299","","","0.0792","0.0814","","","","","","1.07","","","","has coordinates","175761","2020-10-21","18:00:00",""
"4513754","12.8062","0.0004","5.84755","0.00016","12.6869","0.0004","90","","105.223","0.003","90","","916.72","0.05","123.01","0.1","123.01","0.1","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C12 H6 F4 -","- C12 H6 F4 -","- C48 H24 F16 -","4","1","","Meyer, Andreas U.; Slanina, Tomáš; Yao, Chang-Jiang; König, Burkhard","Metal-Free Perfluoroarylation by Visible Light Photoredox Catalysis","ACS Catalysis","2016","6","1","369","","10.1021/acscatal.5b02410","","x-ray","1.54184","CuKα","","0.0413","0.0352","","","0.0969","0.1039","","","","","","1.053","","","","has coordinates","175761","2020-10-21","18:00:00",""
"4513755","5.92801","0.00016","7.5738","0.0002","23.6364","0.0005","90","","90","","90","","1061.22","0.05","123.01","0.1","123.01","0.1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C13 H5 F7 -","- C13 H5 F7 -","- C52 H20 F28 -","4","1","","Meyer, Andreas U.; Slanina, Tomáš; Yao, Chang-Jiang; König, Burkhard","Metal-Free Perfluoroarylation by Visible Light Photoredox Catalysis","ACS Catalysis","2016","6","1","369","","10.1021/acscatal.5b02410","","x-ray","1.54184","CuKα","","0.0275","0.0266","","","0.0713","0.0724","","","","","","1.044","","","","has coordinates","175761","2020-10-21","18:00:00",""
"4513756","5.80768","0.00018","20.9642","0.0005","7.68611","0.00019","90","","90","","90","","935.81","0.04","123.01","0.1","123.01","0.1","","","","","","","","3","C 2 2 21","C 2c 2","20","","","","- C12 H5 F5 -","- C12 H5 F5 -","- C48 H20 F20 -","4","0.5","","Meyer, Andreas U.; Slanina, Tomáš; Yao, Chang-Jiang; König, Burkhard","Metal-Free Perfluoroarylation by Visible Light Photoredox Catalysis","ACS Catalysis","2016","6","1","369","","10.1021/acscatal.5b02410","","x-ray","1.54184","CuKα","","0.0235","0.0234","","","0.0676","0.0676","","","","","","1.116","","","","has coordinates","175761","2020-10-21","18:00:00",""
"4513757","10.038","0.002","15.921","0.003","20.131","0.004","90","","90","","90","","3217.2","1.1","133","2","133","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C37 H40 Br N O3 -","- C37 H40 Br N O3 -","- C148 H160 Br4 N4 O12 -","4","1","","He, Fu-Sheng; Jin, Jing-Hai; Yang, Zhong-Tao; Yu, Xingxin; Fossey, John S.; Deng, Wei-Ping","Direct Asymmetric Synthesis of β-Bis-Aryl-α-Amino Acid Esters via Enantioselective Copper-Catalyzed Addition ofp-Quinone Methides","ACS Catalysis","2016","6","2","652","","10.1021/acscatal.5b02619","","","0.71073","MoKα","","0.0596","0.0415","","","0.089","0.0971","","","","","","1.004","","","","has coordinates","177386","2020-10-21","18:00:00",""
"4513758","19.0615","0.0017","9.325","0.0008","20.7194","0.0018","90","","90","","90","","3682.8","0.6","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C22 H20 F3 N O -","- C22 H20 F3 N O -","- C176 H160 F24 N8 O8 -","8","1","","Yu, Liu-Zhu; Xu, Qin; Tang, Xiang-Yiang; Shi, Min","Iron- or Copper-Catalyzed Trifluoromethylation of Acrylamide-Tethered Alkylidenecyclopropanes: Facile Synthesis of CF3-Containing Polycyclic Benzazepine Derivatives","ACS Catalysis","2016","6","2","526","","10.1021/acscatal.5b02400","","","0.71073","MoKα","","0.0611","0.0458","","","0.121","0.1314","","","","","","1.039","","","","has coordinates,has disorder","177388","2020-10-21","18:00:00",""
"4513759","16.5508","0.0009","9.9149","0.0005","20.9543","0.0011","90","","100.391","0.001","90","","3382.2","0.3","273","2","273","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C36 H44 Er N O Si2 -","- C36 H44 Er N O Si2 -","- C144 H176 Er4 N4 O4 Si8 -","4","1","","Lin, Fei; Wang, Xingbao; Pan, Yupeng; Wang, Meiyan; Liu, Bo; Luo, Yi; Cui, Dongmei","Nature of the Entire Range of Rare Earth Metal-Based Cationic Catalysts for Highly Active and Syndioselective Styrene Polymerization","ACS Catalysis","2016","6","1","176","","10.1021/acscatal.5b02334","","","0.71073","MoKα","","0.0639","0.0354","","","0.0797","0.0929","","","","","","1.024","","","","has coordinates","175762","2020-10-21","18:00:00",""
"4513760","16.5847","0.0012","9.9933","0.0007","21.0068","0.0015","90","","100.271","0.001","90","","3425.8","0.4","273","2","273","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C36 H44 Gd N O Si2 -","- C36 H44 Gd N O Si2 -","- C144 H176 Gd4 N4 O4 Si8 -","4","1","","Lin, Fei; Wang, Xingbao; Pan, Yupeng; Wang, Meiyan; Liu, Bo; Luo, Yi; Cui, Dongmei","Nature of the Entire Range of Rare Earth Metal-Based Cationic Catalysts for Highly Active and Syndioselective Styrene Polymerization","ACS Catalysis","2016","6","1","176","","10.1021/acscatal.5b02334","","","0.71073","MoKα","","0.052","0.034","","","0.0775","0.0859","","","","","","1.019","","","","has coordinates","175762","2020-10-21","18:00:00",""
"4513761","16.5572","0.0009","10.0221","0.0005","21.0296","0.0011","90","","100.37","0.001","90","","3432.6","0.3","273","2","273","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C36 H44 N Nd O Si2 -","- C36 H44 N Nd O Si2 -","- C144 H176 N4 Nd4 O4 Si8 -","4","1","","Lin, Fei; Wang, Xingbao; Pan, Yupeng; Wang, Meiyan; Liu, Bo; Luo, Yi; Cui, Dongmei","Nature of the Entire Range of Rare Earth Metal-Based Cationic Catalysts for Highly Active and Syndioselective Styrene Polymerization","ACS Catalysis","2016","6","1","176","","10.1021/acscatal.5b02334","","","0.71073","MoKα","","0.0642","0.0376","","","0.0844","0.0967","","","","","","1.027","","","","has coordinates","175762","2020-10-21","18:00:00",""
"4513762","14.6913","0.0007","11.3369","0.0006","19.4321","0.001","90","","95.729","0.001","90","","3220.3","0.3","273","2","273","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C31 H44 N O Pr Si2 -","- C31 H44 N O Pr Si2 -","- C124 H176 N4 O4 Pr4 Si8 -","4","1","","Lin, Fei; Wang, Xingbao; Pan, Yupeng; Wang, Meiyan; Liu, Bo; Luo, Yi; Cui, Dongmei","Nature of the Entire Range of Rare Earth Metal-Based Cationic Catalysts for Highly Active and Syndioselective Styrene Polymerization","ACS Catalysis","2016","6","1","176","","10.1021/acscatal.5b02334","","","0.71073","MoKα","","0.1179","0.111","","","0.268","0.2836","","","","","","1.36","","","","has coordinates,has disorder","175762","2020-10-21","18:00:00",""
"4513779","17.067","0.004","10.4806","0.0018","18.8193","0.0014","90","","95.005","0.011","90","","3353.4","1","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H22 Cl N3 Ni -","- C18 H22 Cl N3 Ni -","- C144 H176 Cl8 N24 Ni8 -","8","2","","Perez Garcia, Pablo M.; Di Franco, Thomas; Epenoy, Alexandre; Scopelliti, Rosario; Hu, Xile","From Dimethylamine to Pyrrolidine: The Development of an Improved Nickel Pincer Complex for Cross-Coupling of Nonactivated Secondary Alkyl Halides","ACS Catalysis","2016","6","1","258","","10.1021/acscatal.5b02324","","","0.71073","MoKα","","0.0983","0.0815","","","0.167","0.174","","","","","","1.299","","","","has coordinates,has disorder","175763","2020-10-21","18:00:00",""
"4513780","8.9143","0.0005","10.0383","0.0006","10.4508","0.0006","106.994","0.003","96.214","0.003","108.761","0.003","825.44","0.09","296","2","296","2","","","","","","","","6","P 1","P 1","1","","","","- C15 H13 Br N2 O3 S -","- C15 H12.5 Br N2 O3 S -","- C30 H25 Br2 N4 O6 S2 -","2","2","","Li, Yi; Yu, Yue-Na; Xu, Ming-Hua","Simple Open-Chain Phosphite-Olefin as Ligand for Rh-Catalyzed Asymmetric Arylation of Cyclic Ketimines: Enantioselective Access to gem-Diaryl α-Amino Acid Derivatives","ACS Catalysis","2016","6","2","661","","10.1021/acscatal.5b02403","","","0.71073","MoKα","","0.0413","0.0335","","","0.0873","0.0902","","","","","","1.133","","","","has coordinates","190287","2020-10-21","18:00:00",""
"4513781","6.9469","0.001","15.845","0.002","20.914","0.003","90","","90","","90","","2302.1","0.6","293","2","293","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C14 H13 N3 -","- C14 H13 N3 -","- C112 H104 N24 -","8","1","","Zhou, Xukai; Yu, Songjie; Kong, Lingheng; Li, Xingwei","Rhodium(III)-Catalyzed Coupling of Arenes with Cyclopropanols via C‒H Activation and Ring Opening","ACS Catalysis","2016","6","2","647","","10.1021/acscatal.5b02414","","","0.71073","MoKα","","0.0811","0.0613","","","0.1448","0.1557","","","","","","1.091","","","","has coordinates","177390","2020-10-21","18:00:00",""
"4513782","18.2664","0.0012","21.4148","0.0014","10.4443","0.0007","90","","90","","90","","4085.5","0.5","147","2","147","2","","","","","","","","9","P 21 21 2","P 2 2ab","18","","","","- C46 H45 B Cl F4 Fe N2 O P2 -","- C46 H45 B Cl F4 Fe N2 O P2 -","- C184 H180 B4 Cl4 F16 Fe4 N8 O4 P8 -","4","1","","Zuo, Weiwei; Prokopchuk, Demyan E.; Lough, Alan J.; Morris, Robert H.","Details of the Mechanism of the Asymmetric Transfer Hydrogenation of Acetophenone Using the Amine(imine)diphosphine Iron Precatalyst: The Base Effect and The Enantiodetermining Step","ACS Catalysis","2016","6","1","301","","10.1021/acscatal.5b01979","","","0.71073","MoKα","","0.0571","0.0386","","","0.0732","0.0796","","","","","","1.005","","","","has coordinates","175764","2020-10-21","18:00:00",""
"4513783","11.0847","0.0008","13.0101","0.0009","27.0865","0.0018","90","","90","","90","","3906.2","0.5","147","2","147","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C45 H43 Cl Fe N2 O P2 -","- C45 H43 Cl Fe N2 O P2 -","- C180 H172 Cl4 Fe4 N8 O4 P8 -","4","1","","Zuo, Weiwei; Prokopchuk, Demyan E.; Lough, Alan J.; Morris, Robert H.","Details of the Mechanism of the Asymmetric Transfer Hydrogenation of Acetophenone Using the Amine(imine)diphosphine Iron Precatalyst: The Base Effect and The Enantiodetermining Step","ACS Catalysis","2016","6","1","301","","10.1021/acscatal.5b01979","","","0.71073","MoKα","","0.1147","0.0581","","","0.0816","0.0967","","","","","","0.976","","","","has coordinates","175764","2020-10-21","18:00:00",""
"4513784","13.3911","0.0003","13.3911","0.0003","26.1903","0.0007","90","","90","","120","","4067.28","0.17","296","2","296","2","","","","","","","","5","P 32 2 1","P 32 2""","154","CJ802","","","- C27 H38 B Br O3 -","- C27 H38 B Br O3 -","- C162 H228 B6 Br6 O18 -","6","1","","Jarava-Barrera, Carlos; Parra, Alejandro; López, Aurora; Cruz-Acosta, Fabio; Collado-Sanz, Daniel; Cárdenas, Diego J; Tortosa, Mariola","Copper-Catalyzed Borylative Aromatization of p-Quinone Methides: Enantioselective Synthesis of Dibenzylic Boronates.","ACS catalysis","2016","6","1","442","446","10.1021/acscatal.5b02742","","","0.71073","","","0.0713","0.0388","","","0.0943","0.1257","","","","","","1.093","","","","has coordinates","182489","2020-10-21","18:00:00",""
"4513793","15.3957","0.0013","31.578","0.003","17.2918","0.0015","90","","111.265","0.001","90","","7834.3","1.2","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C43 H44 O5.5 P -","- C43 H44 O5.5 P -","- C344 H352 O44 P8 -","8","4","","Momiyama, Norie; Funayama, Kosuke; Noda, Hirofumi; Yamanaka, Masahiro; Akasaka, Naohiko; Ishida, Shintaro; Iwamoto, Takeaki; Terada, Masahiro","Hydrogen Bonds-Enabled Design of aC1-Symmetric Chiral Brønsted Acid Catalyst","ACS Catalysis","2016","6","2","949","","10.1021/acscatal.5b02079","","","0.71073","MoKα","","0.0675","0.0503","","","0.1259","0.1336","","","","","","1.046","","","","has coordinates","190287","2020-10-21","18:00:00",""
"4513794","24.1287","0.0008","24.1287","0.0008","33.801","0.002","90","","90","","120","","17042.3","1.3","100","2","100","2","","","","","","","","6","P 31 2 1","P 31 2""","152","","","","- C112 H91 F12 N O16 P4 -","- C112 H91 F12 N O16 P4 -","- C672 H546 F72 N6 O96 P24 -","6","1","","Momiyama, Norie; Funayama, Kosuke; Noda, Hirofumi; Yamanaka, Masahiro; Akasaka, Naohiko; Ishida, Shintaro; Iwamoto, Takeaki; Terada, Masahiro","Hydrogen Bonds-Enabled Design of aC1-Symmetric Chiral Brønsted Acid Catalyst","ACS Catalysis","2016","6","2","949","","10.1021/acscatal.5b02079","","","0.71073","MoKα","","0.0522","0.046","","","0.127","0.1322","","","","","","1.043","","","","has coordinates,has disorder","177380","2020-10-21","18:00:00",""
"4513795","10.383","0.003","10.981","0.003","14.706","0.005","90","","106.941","0.005","90","","1604","0.8","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C18 H19 N3 O3 -","- C18 H19 N3 O3 -","- C72 H76 N12 O12 -","4","1","","Zeng, Rong; Chen, Peng-Hao; Dong, Guangbin","Efficient Benzimidazolidinone Synthesis via Rhodium-Catalyzed Double-Decarbonylative C-C Activation/Cycloaddition between Isatins and Isocyanates.","ACS catalysis","2016","6","2","969","973","10.1021/acscatal.5b02532","","","0.71075","MoKα","","0.0535","0.0403","","","0.0973","0.1046","","","","","","0.963","","","","has coordinates","187876","2020-10-21","18:00:00",""
"4513796","13.206","0.005","7.219","0.002","17.366","0.006","90","","102.062","0.004","90","","1619","0.9","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H16 F N3 O -","- C20 H16 F N3 O -","- C80 H64 F4 N12 O4 -","4","1","","Zeng, Rong; Chen, Peng-Hao; Dong, Guangbin","Efficient Benzimidazolidinone Synthesis via Rhodium-Catalyzed Double-Decarbonylative C-C Activation/Cycloaddition between Isatins and Isocyanates.","ACS catalysis","2016","6","2","969","973","10.1021/acscatal.5b02532","","","0.71075","MoKα","","0.0481","0.0472","","","0.1264","0.1274","","","","","","1.056","","","","has coordinates","187876","2020-10-21","18:00:00",""
"4513797","18.0992","0.0004","9.65395","0.00015","19.7948","0.0004","90","","110.024","0.002","90","","3249.64","0.12","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","N1,N2-bis((4-methoxy-3,5-dimethylpyridin-2-yl)methyl)-N1,N2-dimethylethane-1,2-diamine manganese(II) bis(trifluoromethanesulfonate)","","- C24 H34 F6 Mn N4 O8 S2 -","- C24 H34 F6 Mn N4 O8 S2 -","- C96 H136 F24 Mn4 N16 O32 S8 -","4","1","","Ottenbacher, Roman V.; Samsonenko, Denis G.; Talsi, Evgenii P.; Bryliakov, Konstantin P.","Enantioselective Epoxidations of Olefins with Various Oxidants on Bioinspired Mn Complexes: Evidence for Different Mechanisms and Chiral Additive Amplification","ACS Catalysis","2016","6","2","979","","10.1021/acscatal.5b02299","","x-ray","0.71073","MoKα","","0.0778","0.0647","","","0.1828","0.1949","","","","","","1.057","","","","has coordinates,has disorder","177384","2020-10-21","18:00:00",""
"4513798","7.3858","0.0004","11.7473","0.0006","16.1486","0.0008","90","","97.962","0.001","90","","1387.6","0.12","153","2","153","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H10 F3 N O2 -","- C18 H10 F3 N O2 -","- C72 H40 F12 N4 O8 -","4","1","","Yao, Ruwei; Rong, Guangwei; Yan, Bin; Qiu, Lihua; Xu, Xinfang","Dual-Functionalization of Alkynes via Copper-Catalyzed Carbene/Alkyne Metathesis: A Direct Access to the 4-Carboxyl Quinolines","ACS Catalysis","2016","6","2","1024","","10.1021/acscatal.5b02648","","","0.71073","MoKα","","0.0397","0.0379","","","0.1025","0.1039","","","","","","1.031","","","","has coordinates","177391","2020-10-21","18:00:00",""
"4513799","6.1061","0.0005","22.232","0.002","11.7017","0.0012","90","","95.582","0.008","90","","1581","0.3","223","2","223","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H13 N O2 -","- C22 H13 N O2 -","- C88 H52 N4 O8 -","4","1","","Yao, Ruwei; Rong, Guangwei; Yan, Bin; Qiu, Lihua; Xu, Xinfang","Dual-Functionalization of Alkynes via Copper-Catalyzed Carbene/Alkyne Metathesis: A Direct Access to the 4-Carboxyl Quinolines","ACS Catalysis","2016","6","2","1024","","10.1021/acscatal.5b02648","","","0.71073","MoKα","","0.129","0.0539","","","0.0722","0.0888","","","","","","1.001","","","","has coordinates","177391","2020-10-21","18:00:00",""
"4513800","12.8402","0.0008","5.0878","0.0003","29.1529","0.0017","90","","100.425","0.001","90","","1873.07","0.19","200","2","200","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C22 H21 N3 O4 -","- C22 H21 N3 O4 -","- C88 H84 N12 O16 -","4","1","","Morgen, Michael; Jöst, Christian; Malz, Mona; Janowski, Robert; Niessing, Dierk; Klein, Christian D.; Gunkel, Nikolas; Miller, Aubry K.","Spiroepoxytriazoles Are Fumagillin-like Irreversible Inhibitors of MetAP2 with Potent Cellular Activity.","ACS chemical biology","2016","11","4","1001","1011","10.1021/acschembio.5b00755","","","0.71073","MoKα","","0.0564","0.0456","","","0.1337","0.1517","","","","","","1.094","","","","has coordinates","182488","2020-10-21","18:00:00",""
"4513801","11.6562","0.0003","21.5144","0.0004","16.1302","0.0003","90","","102.368","0.0007","90","","3951.19","0.15","123","","123","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C23 H21 F2 N O -","- C23 H21 F2 N O -","- C184 H168 F16 N8 O8 -","8","4","","Momiyama, Norie; Okamoto, Hiroshi; Kikuchi, Jun; Korenaga, Toshinobu; Terada, Masahiro","Perfluorinated Aryls in the Design of Chiral Brønsted Acid Catalysts: Catalysis of Enantioselective [4 + 2] Cycloadditions and Ene Reactions of Imines with Alkenes by Chiral Mono-Phosphoric Acids with Perfluoroaryls","ACS Catalysis","2016","6","2","1198","","10.1021/acscatal.5b02136","","","0.71075","MoKα","","0.0739","0.038","","","0.0823","0.1048","","","","","","1.097","","","","has coordinates","177382","2020-10-21","18:00:00",""
"4513802","11.4113","0.0006","21.0276","0.0011","12.5491","0.0006","90","","93.583","0.001","90","","3005.3","0.3","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","Al-Salen","","","- C30 H41 Al Br2 N2 O3 -","- C30 H41 Al Br2 N2 O3 -","- C120 H164 Al4 Br8 N8 O12 -","4","1","","Marlier, Elodie E.; Macaranas, Joahanna A.; Marell, Daniel J.; Dunbar, Christine R.; Johnson, Michelle A.; DePorre, Yvonne; Miranda, Maria O.; Neisen, Benjamin D.; Cramer, Christopher J.; Hillmyer, Marc A.; Tolman, William B.","Mechanistic Studies of ε-Caprolactone Polymerization by (salen)AlOR Complexes and a Predictive Model for Cyclic Ester Polymerizations.","ACS catalysis","2016","6","2","1215","1224","10.1021/acscatal.5b02607","","","1.54178","CuKα","","0.0369","0.0343","","","0.0872","0.0889","","","","","","1.104","","","","has coordinates","177378","2020-10-21","18:00:00",""
"4513803","9.894","0.002","19.922","0.004","22.901","0.006","90","","103.78","0.03","90","","4384.1","1.8","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C42 H40 N2 O P2 Ru -","- C42 H40 N2 O P2 Ru -","- C168 H160 N8 O4 P8 Ru4 -","4","1","","Pan, Bing; Liu, Bo; Yue, Erlin; Liu, Qingbin; Yang, Xinzheng; Wang, Zheng; Sun, Wen-Hua","A Ruthenium Catalyst with Unprecedented Effectiveness for the Coupling Cyclization of γ-Amino Alcohols and Secondary Alcohols","ACS Catalysis","2016","6","2","1247","","10.1021/acscatal.5b02638","","","0.71073","MoKα","","","0.0788","","","0.2009","0.2128","","","","","","1.101","","","","has coordinates","177387","2020-10-21","18:00:00",""
"4513804","6.8744","0.0014","8.6699","0.0017","15.729","0.003","90","","90","","90","","937.5","0.3","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C10 H15 N O -","- C10 H15 N O -","- C40 H60 N4 O4 -","4","1","","Pan, Bing; Liu, Bo; Yue, Erlin; Liu, Qingbin; Yang, Xinzheng; Wang, Zheng; Sun, Wen-Hua","A Ruthenium Catalyst with Unprecedented Effectiveness for the Coupling Cyclization of γ-Amino Alcohols and Secondary Alcohols","ACS Catalysis","2016","6","2","1247","","10.1021/acscatal.5b02638","","","0.71073","MoKα","","0.0424","0.0411","","","0.0982","0.0991","","","","","","1.056","","","","has coordinates","177387","2020-10-21","18:00:00",""
"4513805","7.5306","0.0007","6.1547","0.0005","20.6613","0.0016","90","","91.838","0.008","90","","957.13","0.14","298","","298","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C11 H11 N O -","- C11 H11 N O -","- C44 H44 N4 O4 -","4","1","","Wu, Jin-Ji; Li, Yinwu; Zhou, Hai-Yun; Wen, A-Hao; Lun, Chu-Chu; Yao, Su-Yang; Ke, Zhuofeng; Ye, Bao-Hui","Copper-Catalyzed Carbamoylation of Terminal Alkynes with Formamides via Cross-Dehydrogenative Coupling","ACS Catalysis","2016","","","1263","","10.1021/acscatal.5b02881","","x-ray","0.71073","MoKα","","0.0938","0.0671","","","0.1479","0.1631","","","","","","1.0739","","","","has coordinates","206162","2020-10-21","18:00:00",""
"4513806","8.6051","0.0005","8.456","0.0004","18.6229","0.001","90","","96.947","0.002","90","","1345.14","0.12","298","","298","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C31 H33 Fe P S -","- C31 H33 Fe P S -","- C62 H66 Fe2 P2 S2 -","2","1","","Ogasawara, Masamichi; Arae, Sachie; Watanabe, Susumu; Nakajima, Kiyohiko; Takahashi, Tamotsu","Kinetic Resolution of Planar-Chiral Ferrocenylphosphine Derivatives by Molybdenum-Catalyzed Asymmetric Ring-Closing Metathesis and Their Application in Asymmetric Catalysis","ACS Catalysis","2016","6","2","1308","","10.1021/acscatal.5b02692","","","0.71075","MoKα","","0.1841","0.097","","","0.1566","0.1916","","","","","","1.082","","","","has coordinates","177381","2020-10-21","18:00:00",""
"4513807","8.219","0.0004","10.1031","0.0006","12.1768","0.0006","86.213","0.004","78.34","0.004","86.602","0.004","987.01","0.09","293","","293","","","","","","","","","3","P -1","-P 1","2","","","","- C26 H21 N -","- C26 H21 N -","- C52 H42 N2 -","2","1","","Borie, Cyril; Vanthuyne, Nicolas; Bertrand, Michèle P.; Siri, Didier; Nechab, Malek","Palladium Tandem Catalysis in the Atropodiastereoselective Synthesis of Indenes Bearing Central and Axial Chirality","ACS Catalysis","2016","6","3","1559","","10.1021/acscatal.5b02867","","x-ray","1.54184","CuKα","","0.0476","0.0411","","","0.1028","0.1098","","","","","","1.033","","","","has coordinates","181420","2020-10-21","18:00:00",""
"4513808","6.1084","0.0005","14.9045","0.0014","15.5068","0.0014","85.229","0.004","81.551","0.003","83.644","0.004","1384.7","0.2","193","2","193","2","","","","","","","synthesis as described","5","P -1","-P 1","2","","","","- C14 H17 N O3 S -","- C14 H17 N O3 S -","- C56 H68 N4 O12 S4 -","4","2","","Espinosa-Jalapa, Noel Ángel; Ke, Diandian; Nebra, Noel; Le Goanvic, Lucas; Mallet-Ladeira, Sonia; Monot, Julien; Martin-Vaca, Blanca; Bourissou, Didier","Correction to Enhanced Catalytic Performance of Indenediide Palladium Pincer Complexes for Cycloisomerization: Efficient Synthesis of Alkylidene Lactams","ACS Catalysis","2016","6","3","1565","","10.1021/acscatal.6b00198","","x-ray","0.71073","MoKα","","0.0538","0.0438","","","0.125","0.135","","","","","","1.093","","","","has coordinates","181421","2020-10-21","18:00:00",""
"4513809","9.51","0.0005","13.531","0.0007","15.5036","0.0009","90","","101.853","0.002","90","","1952.46","0.18","193","2","193","2","","","","","","","synthesis as described","5","P 1 21/n 1","-P 2yn","14","","","","- C22 H23 N O3 S -","- C22 H23 N O3 S -","- C88 H92 N4 O12 S4 -","4","1","","Espinosa-Jalapa, Noel Ángel; Ke, Diandian; Nebra, Noel; Le Goanvic, Lucas; Mallet-Ladeira, Sonia; Monot, Julien; Martin-Vaca, Blanca; Bourissou, Didier","Correction to Enhanced Catalytic Performance of Indenediide Palladium Pincer Complexes for Cycloisomerization: Efficient Synthesis of Alkylidene Lactams","ACS Catalysis","2016","6","3","1565","","10.1021/acscatal.6b00198","","x-ray","0.71073","MoKα","","0.0517","0.0404","","","0.1076","0.119","","","","","","1.047","","","","has coordinates","181421","2020-10-21","18:00:00",""
"4513810","7.4674","0.0004","8.2917","0.0004","10.159","0.0005","84.506","0.002","89.933","0.002","69.136","0.001","584.71","0.05","193","2","193","2","","","","","","","synthesis as described","5","P -1","-P 1","2","","","","- C12 H13 N O3 S -","- C12 H13 N O3 S -","- C24 H26 N2 O6 S2 -","2","1","","Espinosa-Jalapa, Noel Ángel; Ke, Diandian; Nebra, Noel; Le Goanvic, Lucas; Mallet-Ladeira, Sonia; Monot, Julien; Martin-Vaca, Blanca; Bourissou, Didier","Correction to Enhanced Catalytic Performance of Indenediide Palladium Pincer Complexes for Cycloisomerization: Efficient Synthesis of Alkylidene Lactams","ACS Catalysis","2016","6","3","1565","","10.1021/acscatal.6b00198","","x-ray","0.71073","MoKα","","0.0358","0.0327","","","0.0933","0.0968","","","","","","1.088","","","","has coordinates","181421","2020-10-21","18:00:00",""
"4513811","10.3225","0.0007","20.9863","0.0017","16.6431","0.0014","90","","95.815","0.004","90","","3586.9","0.5","193","2","193","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C22 H17 N O3 S -","- C22 H17 N O3 S -","- C176 H136 N8 O24 S8 -","8","2","","Espinosa-Jalapa, Noel Ángel; Ke, Diandian; Nebra, Noel; Le Goanvic, Lucas; Mallet-Ladeira, Sonia; Monot, Julien; Martin-Vaca, Blanca; Bourissou, Didier","Correction to Enhanced Catalytic Performance of Indenediide Palladium Pincer Complexes for Cycloisomerization: Efficient Synthesis of Alkylidene Lactams","ACS Catalysis","2016","6","3","1565","","10.1021/acscatal.6b00198","","","0.71073","MoKα","","0.1286","0.0529","","","0.094","0.1179","","","","","","1.006","","","","has coordinates","181421","2020-10-21","18:00:00",""
"4513812","8.5582","0.0003","10.1474","0.0004","11.3665","0.0004","114.204","0.0011","92.3803","0.0013","95.0132","0.0012","893.63","0.06","193","2","193","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H17 N O3 S -","- C22 H17 N O3 S -","- C44 H34 N2 O6 S2 -","2","1","","Espinosa-Jalapa, Noel Ángel; Ke, Diandian; Nebra, Noel; Le Goanvic, Lucas; Mallet-Ladeira, Sonia; Monot, Julien; Martin-Vaca, Blanca; Bourissou, Didier","Correction to Enhanced Catalytic Performance of Indenediide Palladium Pincer Complexes for Cycloisomerization: Efficient Synthesis of Alkylidene Lactams","ACS Catalysis","2016","6","3","1565","","10.1021/acscatal.6b00198","","","0.71073","MoKα","","0.0407","0.0346","","","0.0968","0.101","","","","","","1.049","","","","has coordinates","181421","2020-10-21","18:00:00",""
"4513813","15.7908","0.0006","6.1888","0.0002","13.6788","0.0005","90","","106.523","0.001","90","","1281.57","0.08","193","2","193","2","","","","","","","synthesis as described","5","P 1 21/c 1","-P 2ybc","14","","","","- C13 H15 N O3 S -","- C13 H15 N O3 S -","- C52 H60 N4 O12 S4 -","4","1","","Espinosa-Jalapa, Noel Ángel; Ke, Diandian; Nebra, Noel; Le Goanvic, Lucas; Mallet-Ladeira, Sonia; Monot, Julien; Martin-Vaca, Blanca; Bourissou, Didier","Correction to Enhanced Catalytic Performance of Indenediide Palladium Pincer Complexes for Cycloisomerization: Efficient Synthesis of Alkylidene Lactams","ACS Catalysis","2016","6","3","1565","","10.1021/acscatal.6b00198","","x-ray","0.71073","MoKα","","0.0515","0.0447","","","0.123","0.1299","","","","","","1.049","","","","has coordinates,has disorder","181421","2020-10-21","18:00:00",""
"4513814","6.4715","0.0003","12.2935","0.0005","16.0625","0.0007","90","","90","","90","","1277.89","0.1","193","2","193","2","","","","","","","synthesis as described","5","P 21 21 21","P 2ac 2ab","19","","","","- C13 H15 N O3 S -","- C13 H15 N O3 S -","- C52 H60 N4 O12 S4 -","4","1","","Espinosa-Jalapa, Noel Ángel; Ke, Diandian; Nebra, Noel; Le Goanvic, Lucas; Mallet-Ladeira, Sonia; Monot, Julien; Martin-Vaca, Blanca; Bourissou, Didier","Correction to Enhanced Catalytic Performance of Indenediide Palladium Pincer Complexes for Cycloisomerization: Efficient Synthesis of Alkylidene Lactams","ACS Catalysis","2016","6","3","1565","","10.1021/acscatal.6b00198","","x-ray","0.71073","MoKα","","0.0331","0.0316","","","0.0959","0.0972","","","","","","1.182","","","","has coordinates","181421","2020-10-21","18:00:00",""
"4513815","8.6937","0.0001","8.2505","0.0001","9.8923","0.0002","90","","96.8229","0.0007","90","","704.524","0.019","","","99.98","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C17 H17 N3 O -","- C17 H17 N3 O -","- C34 H34 N6 O2 -","2","1","","Singh, Manish K.; Akula, Hari K.; Satishkumar, Sakilam; Stahl, Lothar; Lakshman, Mahesh K.","Ruthenium-Catalyzed C-H Bond Activation Approach to Azolyl Aminals and Hemiaminal Ethers, Mechanistic Evaluations, and Isomer Interconversion.","ACS catalysis","2016","6","3","1921","1928","10.1021/acscatal.5b02603","","","0.71073","MoKα","","0.0346","0.0324","","","0.0887","0.0913","","","","","","1.0952","","","","has coordinates","278046","2022-09-21","15:45:41",""
"4513816","7.9794","0.0013","12.355","0.002","27.87","0.004","83.268","0.003","84.119","0.003","89.549","0.003","2714.2","0.7","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C33 H27 F2 N O4 -","- C33 H27 F2 N O4 -","- C132 H108 F8 N4 O16 -","4","2","","Wang, Qiang; Li, Yingzi; Qi, Zisong; Xie, Fang; Lan, Yu; Li, Xingwei","Rhodium(III)-Catalyzed Annulation betweenN-Sulfinyl Ketoimines and Activated Olefins: C‒H Activation Assisted by an Oxidizing N‒S Bond","ACS Catalysis","2016","6","3","1971","","10.1021/acscatal.5b02297","","","0.71073","MoKα","","0.1885","0.0839","","","0.2214","0.2889","","","","","","1.011","","","","has coordinates,has disorder","181424","2020-10-21","18:00:00",""
"4513817","10.0715","0.0002","28.3272","0.0005","21.8875","0.0015","90","","92.226","0.007","90","","6239.7","0.5","85","","85","","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C63 H53 B Cl N4 O3 P Ru -","- C63 H53 B Cl N4 O3 P Ru -","- C252 H212 B4 Cl4 N16 O12 P4 Ru4 -","4","1","","Moore, Cameron M.; Bark, Byongjoo; Szymczak, Nathaniel K.","Simple Ligand Modifications with Pendent OH Groups Dramatically Impact the Activity and Selectivity of Ruthenium Catalysts for Transfer Hydrogenation: The Importance of Alkali Metals","ACS Catalysis","2016","6","3","1981","","10.1021/acscatal.6b00229","","","1.54178","CuKα","","0.0696","0.0667","","","0.1778","0.1797","","","","","","1.038","","","","has coordinates,has disorder","181422","2020-10-21","18:00:00",""
"4513818","14.0112","0.0003","9.7442","0.0002","27.2179","0.0019","90","","94.215","0.007","90","","3706","0.3","85","","85","","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C38 H36 Cl F6 N3 O4 P2 Ru -","- C38 H36 Cl F6 N3 O4 P2 Ru -","- C152 H144 Cl4 F24 N12 O16 P8 Ru4 -","4","1","","Moore, Cameron M.; Bark, Byongjoo; Szymczak, Nathaniel K.","Simple Ligand Modifications with Pendent OH Groups Dramatically Impact the Activity and Selectivity of Ruthenium Catalysts for Transfer Hydrogenation: The Importance of Alkali Metals","ACS Catalysis","2016","6","3","1981","","10.1021/acscatal.6b00229","","","1.54178","CuKα","","0.0255","0.025","","","0.0608","0.0611","","","","","","1.048","","","","has coordinates,has disorder","181422","2020-10-21","18:00:00",""
"4513819","12.1467","0.0002","17.3624","0.0004","12.8848","0.0009","90","","90.182","0.006","90","","2717.3","0.2","85","","85","","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C21 H29 Cl F6 N3 O2 P3 Ru -","- C21 H29 Cl F6 N3 O2 P3 Ru -","- C84 H116 Cl4 F24 N12 O8 P12 Ru4 -","4","1","","Moore, Cameron M.; Bark, Byongjoo; Szymczak, Nathaniel K.","Simple Ligand Modifications with Pendent OH Groups Dramatically Impact the Activity and Selectivity of Ruthenium Catalysts for Transfer Hydrogenation: The Importance of Alkali Metals","ACS Catalysis","2016","6","3","1981","","10.1021/acscatal.6b00229","","","1.54178","CuKα","","0.0724","0.0623","","","0.1722","0.1817","","","","","","1.134","","","","has coordinates","288505","2023-12-22","15:12:02",""
"4513820","11.6136","0.0002","17.269","0.0003","14.4146","0.001","90","","90.128","0.006","90","","2890.9","0.2","85","","85","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C33 H26 Cl2 N3 O2 P Ru -","- C33 H26 Cl2 N3 O2 P Ru -","- C132 H104 Cl8 N12 O8 P4 Ru4 -","4","1","","Moore, Cameron M.; Bark, Byongjoo; Szymczak, Nathaniel K.","Simple Ligand Modifications with Pendent OH Groups Dramatically Impact the Activity and Selectivity of Ruthenium Catalysts for Transfer Hydrogenation: The Importance of Alkali Metals","ACS Catalysis","2016","6","3","1981","","10.1021/acscatal.6b00229","","","1.54178","CuKα","","0.0391","0.0376","","","0.1012","0.1024","","","","","","1.093","","","","has coordinates","181422","2020-10-21","18:00:00",""
"4513821","38.209","0.002","13.4891","0.0003","24.3071","0.0004","90","","118.199","0.007","90","","11041.1","1","85","","85","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C69 H53 N6 O5 P2 Ru2 -","- C69 H53 N6 O5 P2 Ru2 -","- C552 H424 N48 O40 P16 Ru16 -","8","1","","Moore, Cameron M.; Bark, Byongjoo; Szymczak, Nathaniel K.","Simple Ligand Modifications with Pendent OH Groups Dramatically Impact the Activity and Selectivity of Ruthenium Catalysts for Transfer Hydrogenation: The Importance of Alkali Metals","ACS Catalysis","2016","6","3","1981","","10.1021/acscatal.6b00229","","","1.54178","CuKα","","0.0453","0.0433","","","0.1351","0.1369","","","","","","1.162","","","","has coordinates","288505","2023-12-22","15:12:02",""
"4513822","14.9292","0.0012","12.2212","0.001","12.2965","0.001","90","","109.506","0.001","90","","2114.8","0.3","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C19 H23 F3 Ir N3 O3 S -","- C19 H23 F3 Ir N3 O3 S -","- C76 H92 F12 Ir4 N12 O12 S4 -","4","1","","Lu, Zhiyao; Demianets, Ivan; Hamze, Rasha; Terrile, Nicholas J.; Williams, Travis J.","A Prolific Catalyst for Selective Conversion of Neat Glycerol to Lactic Acid","ACS Catalysis","2016","6","3","2014","","10.1021/acscatal.5b02732","","","0.71073","MoKα","","0.0359","0.0241","","","0.0492","0.0527","","","","","","1.014","","","","has coordinates,has disorder","181425","2020-10-21","18:00:00",""
"4513823","11.0313","0.0004","26.4631","0.0009","19.9865","0.0007","90","","98.415","0.001","90","","5771.7","0.4","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C27 H31 F3 Ir N3 O3 S -","- C27 H31 F3 Ir N3 O3 S -","- C216 H248 F24 Ir8 N24 O24 S8 -","8","2","","Lu, Zhiyao; Demianets, Ivan; Hamze, Rasha; Terrile, Nicholas J.; Williams, Travis J.","A Prolific Catalyst for Selective Conversion of Neat Glycerol to Lactic Acid","ACS Catalysis","2016","6","3","2014","","10.1021/acscatal.5b02732","","","0.71073","MoKα","","0.0591","0.047","","","0.1179","0.1243","","","","","","1.028","","","","has coordinates,has disorder","181425","2020-10-21","18:00:00",""
"4513824","20.3758","0.0009","3.4577","0.0002","10.3049","0.0004","90","","106.491","0.004","90","","696.15","0.06","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C2 H5 Na3 O8 -","- C2 H5 Na3 O8 -","- C8 H20 Na12 O32 -","4","0.5","","Lu, Zhiyao; Demianets, Ivan; Hamze, Rasha; Terrile, Nicholas J.; Williams, Travis J.","A Prolific Catalyst for Selective Conversion of Neat Glycerol to Lactic Acid","ACS Catalysis","2016","6","3","2014","","10.1021/acscatal.5b02732","","","1.54178","CuKα","","0.0292","0.0272","","","0.0801","0.0817","","","","","","1.168","","","","has coordinates","181425","2020-10-21","18:00:00",""
"4513825","9.8337","0.001","11.7927","0.001","12.4336","0.0011","112.475","0.008","96.966","0.008","104.18","0.008","1254","0.2","173","","173","","","","","","","","","5","P -1","-P 1","2","","","","- C28 H33 B O2 Si -","- C28 H33 B O2 Si -","- C56 H66 B2 O4 Si2 -","2","1","","Ansell, Melvyn B.; Spencer, John; Navarro, Oscar","(N-Heterocyclic Carbene)2-Pd(0)-Catalyzed Silaboration of Internal and Terminal Alkynes: Scope and Mechanistic Studies","ACS Catalysis","2016","6","4","2192","","10.1021/acscatal.6b00127","","x-ray","0.71073","MoKα","","0.0674","0.0463","","","0.0921","0.1037","","","","","","1.023","","","","has coordinates","181411","2020-10-21","18:00:00",""
"4513826","11.8802","0.0006","12.1897","0.0005","13.9679","0.0005","86.341","0.003","73.708","0.004","63.295","0.005","1729.87","0.16","173.15","","173.15","","","","","","","","","5","P -1","-P 1","2","","cis-(ITMe)2Pd(SiMe2Ph)2","","- C33 H49 N4 Pd Si2 -","- C33 H49 N4 Pd Si2 -","- C66 H98 N8 Pd2 Si4 -","2","1","","Ansell, Melvyn B.; Spencer, John; Navarro, Oscar","(N-Heterocyclic Carbene)2-Pd(0)-Catalyzed Silaboration of Internal and Terminal Alkynes: Scope and Mechanistic Studies","ACS Catalysis","2016","6","4","2192","","10.1021/acscatal.6b00127","","x-ray","1.54184","CuKα","","0.044","0.0396","","","0.1101","0.1171","","","","","","0.9017","","","","has coordinates","181411","2020-10-21","18:00:00",""
"4513827","12.9381","0.0003","17.8318","0.0003","14.8311","0.0004","90","","113.454","0.003","90","","3138.98","0.14","173","","173","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C28 H47 B N4 O2 Pd Si -","- C28 H47 B N4 O2 Pd Si -","- C112 H188 B4 N16 O8 Pd4 Si4 -","4","1","","Ansell, Melvyn B.; Spencer, John; Navarro, Oscar","(N-Heterocyclic Carbene)2-Pd(0)-Catalyzed Silaboration of Internal and Terminal Alkynes: Scope and Mechanistic Studies","ACS Catalysis","2016","6","4","2192","","10.1021/acscatal.6b00127","","x-ray","1.54184","CuKα","","0.0404","0.035","","","0.084","0.088","","","","","","1.044","","","","has coordinates","181411","2020-10-21","18:00:00",""
"4513828","6.5242","0.0007","18.975","0.002","29.829","0.003","90","","90","","90","","3692.7","0.7","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C37 H63 N O5 S2 -","- C37 H63 N O5 S2 -","- C148 H252 N4 O20 S8 -","4","1","","Abrams, Rachel P.; Carroll, William L.; Woerpel, K. A.","Five-Membered Ring Peroxide Selectively Initiates Ferroptosis in Cancer Cells.","ACS chemical biology","2016","11","5","1305","1312","10.1021/acschembio.5b00900","","","0.71073","MoKα","","0.0792","0.0503","","","0.1008","0.1117","","","","","","1.036","","","","has coordinates","183551","2020-10-21","18:00:00",""
"4513837","17.0173","0.0003","7.793","0.0001","19.3018","0.0003","90","","103.52","0.001","90","","2488.79","0.07","160","2","160","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C23 H26 I2 Ir N3 -","- C23 H26 I2 Ir N3 -","- C92 H104 I8 Ir4 N12 -","4","1","","Semwal, Shrivats; Choudhury, Joyanta","Molecular Coordination-Switch in a New Role: Controlling Highly Selective Catalytic Hydrogenation with Switchability Function","ACS Catalysis","2016","6","4","2424","","10.1021/acscatal.6b00150","","","0.71073","MoKα","","0.0665","0.0529","","","0.1439","0.1555","","","","","","1.066","","","","has coordinates","181412","2020-10-21","18:00:00",""
"4513838","9.2675","0.0002","10.21","0.0002","12.0027","0.0003","79.971","0.001","78.553","0.001","83.299","0.001","1092.13","0.04","160","2","160","2","","","","","","","","5","P -1","-P 1","2","","","","- C23 H25 I Ir N3 -","- C23 H25 I Ir N3 -","- C46 H50 I2 Ir2 N6 -","2","1","","Semwal, Shrivats; Choudhury, Joyanta","Molecular Coordination-Switch in a New Role: Controlling Highly Selective Catalytic Hydrogenation with Switchability Function","ACS Catalysis","2016","6","4","2424","","10.1021/acscatal.6b00150","","","0.71073","MoKα","","0.0234","0.0212","","","0.0501","0.0512","","","","","","1.077","","","","has coordinates","181412","2020-10-21","18:00:00",""
"4513839","7.32516","0.00019","13.4286","0.0003","19.6168","0.0006","90","","90","","90","","1929.64","0.09","119.99","0.1","119.99","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C21 H19 N O4 -","- C21 H19 N O4 -","- C84 H76 N4 O16 -","4","1","","Wang, Gang; Liu, Xiaohua; Chen, Yushuang; Yang, Jian; Li, Jun; Lin, Lili; Feng, Xiaoming","Diastereoselective and Enantioselective Alleno-aldol Reaction of Allenoates with Isatins to Synthesis of Carbinol Allenoates Catalyzed by Gold","ACS Catalysis","2016","6","4","2482","","10.1021/acscatal.6b00294","","x-ray","1.54184","CuKα","","0.047","0.0453","","","0.1193","0.1215","","","","","","1.046","","","","has coordinates","181409","2020-10-21","18:00:00",""
"4513840","5.622","0.005","15.483","0.005","18.549","0.005","90","0.005","94.841","0.005","90","0.005","1608.8","1.6","290","2","290","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H10 F6 O2 -","- C17 H10 F6 O2 -","- C68 H40 F24 O8 -","4","1","","Fu, Ming-Chen; Shang, Rui; Cheng, Wan-Min; Fu, Yao","Nickel-Catalyzed Regio- and Stereoselective Hydrocarboxylation of Alkynes with Formic Acid through Catalytic CO Recycling","ACS Catalysis","2016","6","4","2501","","10.1021/acscatal.6b00276","","","1.54184","CuKα","","0.0903","0.0714","","","0.1862","0.2059","","","","","","1.036","","","","has coordinates,has disorder","181414","2020-10-21","18:00:00",""
"4513841","4.5824","0.0002","19.9078","0.0008","12.0067","0.0004","90","","94.374","0.003","90","","1092.13","0.07","291","2","291","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C12 H12 O4 -","- C12 H12 O4 -","- C48 H48 O16 -","4","1","","Fu, Ming-Chen; Shang, Rui; Cheng, Wan-Min; Fu, Yao","Nickel-Catalyzed Regio- and Stereoselective Hydrocarboxylation of Alkynes with Formic Acid through Catalytic CO Recycling","ACS Catalysis","2016","6","4","2501","","10.1021/acscatal.6b00276","","","1.54184","CuKα","","0.0473","0.0443","","","0.1216","0.1255","","","","","","1.045","","","","has coordinates","181414","2020-10-21","18:00:00",""
"4513842","17.7344","0.0005","14.2966","0.0004","30.6824","0.0009","90","","90","","90","","7779.3","0.4","200","2","200","2","","","","","","","","8","P c a 21","P 2c -2ac","29","","","","- C67 H16 B2 Cl2 F40 Fe4 O12 S4 -","- C67 H16 B2 Cl2 F40 Fe4 O12 S4 -","- C268 H64 B8 Cl8 F160 Fe16 O48 S16 -","4","1","","Liu, Yu-Chiao; Chu, Kai-Ti; Huang, Yi-Lan; Hsu, Cheng-Huey; Lee, Gene-Hsiang; Tseng, Mei-Chun; Chiang, Ming-Hsi","Protonation/Reduction of Carbonyl-Rich Diiron Complexes and the Direct Observation of Triprotonated Species: Insights into the Electrocatalytic Mechanism of Hydrogen Formation","ACS Catalysis","2016","6","4","2559","","10.1021/acscatal.5b02646","","","0.71073","MoKα","","0.078","0.0537","","","0.1038","0.1147","","","","","","1.036","","","","has coordinates,has disorder","181413","2020-10-21","18:00:00",""
"4513843","16.0418","0.0006","20.9445","0.0008","23.0959","0.001","90","","90","","90","","7759.9","0.5","200","2","200","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C36 H5 B F20 Fe2 O6 S2 -","- C36 H5 B F20 Fe2 O6 S2 -","- C288 H40 B8 F160 Fe16 O48 S16 -","8","1","","Liu, Yu-Chiao; Chu, Kai-Ti; Huang, Yi-Lan; Hsu, Cheng-Huey; Lee, Gene-Hsiang; Tseng, Mei-Chun; Chiang, Ming-Hsi","Protonation/Reduction of Carbonyl-Rich Diiron Complexes and the Direct Observation of Triprotonated Species: Insights into the Electrocatalytic Mechanism of Hydrogen Formation","ACS Catalysis","2016","6","4","2559","","10.1021/acscatal.5b02646","","","0.71073","MoKα","","0.0902","0.0644","","","0.1245","0.1346","","","","","","1.148","","","","has coordinates","181413","2020-10-21","18:00:00",""
"4513844","22.9134","0.0012","12.3868","0.0007","17.2161","0.0009","90","","124.699","0.001","90","","4017.3","0.4","200","2","200","2","","","","","","","","8","C 1 c 1","C -2yc","9","","","","- C33 H7 B Cl2 F20 Fe2 O6 S2 -","- C33 H7 B Cl2 F20 Fe2 O6 S2 -","- C132 H28 B4 Cl8 F80 Fe8 O24 S8 -","4","1","","Liu, Yu-Chiao; Chu, Kai-Ti; Huang, Yi-Lan; Hsu, Cheng-Huey; Lee, Gene-Hsiang; Tseng, Mei-Chun; Chiang, Ming-Hsi","Protonation/Reduction of Carbonyl-Rich Diiron Complexes and the Direct Observation of Triprotonated Species: Insights into the Electrocatalytic Mechanism of Hydrogen Formation","ACS Catalysis","2016","6","4","2559","","10.1021/acscatal.5b02646","","","0.71073","MoKα","","0.0473","0.0427","","","0.1034","0.1063","","","","","","1.042","","","","has coordinates,has disorder","181413","2020-10-21","18:00:00",""
"4513845","6.4147","0.0004","18.5996","0.0011","11.5206","0.0006","90","","104.145","0.0013","90","","1332.85","0.13","150","2","150","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C11 H7 F9 Fe2 O15 S5 -","- C11 H7 F9 Fe2 O15 S5 -","- C22 H14 F18 Fe4 O30 S10 -","2","0.5","","Liu, Yu-Chiao; Chu, Kai-Ti; Huang, Yi-Lan; Hsu, Cheng-Huey; Lee, Gene-Hsiang; Tseng, Mei-Chun; Chiang, Ming-Hsi","Protonation/Reduction of Carbonyl-Rich Diiron Complexes and the Direct Observation of Triprotonated Species: Insights into the Electrocatalytic Mechanism of Hydrogen Formation","ACS Catalysis","2016","6","4","2559","","10.1021/acscatal.5b02646","","","0.71073","MoKα","","0.0673","0.0577","","","0.1301","0.136","","","","","","1.106","","","","has coordinates,has disorder","181413","2020-10-21","18:00:00",""
"4513846","10.5879","0.0002","4.8182","0.0001","13.6534","0.0002","90","","96.876","0.002","90","","691.51","0.02","100","2","100","2","","","","","","","synthesis as described","3","P 1 21 1","P 2yb","4","","","","- C18 H16 O -","- C18 H16 O -","- C36 H32 O2 -","2","1","","Rodríguez, Elsa; Grayson, Matthew N.; Asensio, Amparo; Barrio, Pablo; Houk, K. N.; Fustero, Santos","Chiral Brønsted Acid-Catalyzed Asymmetric Allyl(propargyl)boration Reaction ofortho-Alkynyl Benzaldehydes: Synthetic Applications and Factors Governing the Enantioselectivity","ACS Catalysis","2016","6","4","2506","","10.1021/acscatal.6b00209","","x-ray","1.54184","CuKα","","0.0464","0.0444","","","0.1219","0.125","","","","","","1.061","","","","has coordinates","181417","2020-10-21","18:00:00",""
"4513847","10.5044","0.0002","4.7708","0.0001","13.7318","0.0003","90","","97.605","0.002","90","","682.11","0.02","100","2","100","2","","","","","","","synthesis as described","3","P 1 21 1","P 2yb","4","","","","- C18 H14 O -","- C18 H14 O -","- C36 H28 O2 -","2","1","","Rodríguez, Elsa; Grayson, Matthew N.; Asensio, Amparo; Barrio, Pablo; Houk, K. N.; Fustero, Santos","Chiral Brønsted Acid-Catalyzed Asymmetric Allyl(propargyl)boration Reaction ofortho-Alkynyl Benzaldehydes: Synthetic Applications and Factors Governing the Enantioselectivity","ACS Catalysis","2016","6","4","2506","","10.1021/acscatal.6b00209","","x-ray","1.54184","CuKα","","0.0323","0.0309","","","0.0796","0.0807","","","","","","1.068","","","","has coordinates","181417","2020-10-21","18:00:00",""
"4513848","8.9984","0.0004","21.6663","0.0011","12.2395","0.0005","90","","90.0826","0.0017","90","","2386.24","0.19","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C23 H33 Co N3 O4 -","- C23 H33 Co N3 O4 -","- C92 H132 Co4 N12 O16 -","4","1","","Schuster, Christopher H.; Diao, Tianning; Pappas, Iraklis; Chirik, Paul J.","Bench-Stable, Substrate-Activated Cobalt Carboxylate Pre-Catalysts for Alkene Hydrosilylation with Tertiary Silanes","ACS Catalysis","2016","6","4","2632","","10.1021/acscatal.6b00304","","","0.71073","MoKα","","0.0673","0.0629","","","0.1927","0.1987","","","","","","1.066","","","","has coordinates","181416","2020-10-21","18:00:00",""
"4513849","8.9806","0.0004","29.3177","0.0012","8.8612","0.0004","90","","97.9533","0.0014","90","","2310.63","0.17","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C21 H35 Co N3 O5 -","- C21 H35 Co N3 O5 -","- C84 H140 Co4 N12 O20 -","4","1","","Schuster, Christopher H.; Diao, Tianning; Pappas, Iraklis; Chirik, Paul J.","Bench-Stable, Substrate-Activated Cobalt Carboxylate Pre-Catalysts for Alkene Hydrosilylation with Tertiary Silanes","ACS Catalysis","2016","6","4","2632","","10.1021/acscatal.6b00304","","","0.71073","MoKα","","0.0304","0.0281","","","0.0772","0.0785","","","","","","1.134","","","","has coordinates","181416","2020-10-21","18:00:00",""
"4513850","15.229","0.004","8.446","0.002","17.388","0.005","90","","108.03","0.003","90","","2126.7","1","396","2","396","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C22 H23 Cl Ir N3 O3 -","- C22 H23 Cl Ir N3 O3 -","- C88 H92 Cl4 Ir4 N12 O12 -","4","1","","Ngo, Anh H.; Ibañez, Miguel; Do, Loi H.","Catalytic Hydrogenation of Cytotoxic Aldehydes Using Nicotinamide Adenine Dinucleotide (NADH) in Cell Growth Media","ACS Catalysis","2016","6","4","2637","","10.1021/acscatal.6b00395","","","0.71073","MoKα","","0.0178","0.0165","","","0.0445","0.056","","","","","","1.164","","","","has coordinates","181410","2020-10-21","18:00:00",""
"4513853","11.7189","0.001","12.5863","0.0011","16.7721","0.0014","90","","99.602","0.002","90","","2439.2","0.4","100","","100","","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C20 H38 Br Fe N3 O P2 -","- C20 H38 Br Fe N3 O P2 -","- C80 H152 Br4 Fe4 N12 O4 P8 -","4","2","","Gorgas, Nikolaus; Stöger, Berthold; Veiros, Luis F.; Kirchner, Karl","Highly Efficient and Selective Hydrogenation of Aldehydes: A Well-Defined Fe(II) Catalyst Exhibits Noble-Metal Activity.","ACS catalysis","2016","6","4","2664","2672","10.1021/acscatal.6b00436","","x-ray","0.71073","MoKα","","0.0393","0.029","","","0.0324","0.0334","","","","1.23","1.23","1.17","","","","has coordinates","186950","2020-10-21","18:00:00",""
"4513854","13.7848","0.0007","11.7982","0.0005","15.4447","0.0008","90","","113.332","0.0014","90","","2306.5","0.2","100","","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C20 H39 Fe N3 O P2 -","- C20 H39 Fe N3 O P2 -","- C80 H156 Fe4 N12 O4 P8 -","4","1","","Gorgas, Nikolaus; Stöger, Berthold; Veiros, Luis F.; Kirchner, Karl","Highly Efficient and Selective Hydrogenation of Aldehydes: A Well-Defined Fe(II) Catalyst Exhibits Noble-Metal Activity.","ACS catalysis","2016","6","4","2664","2672","10.1021/acscatal.6b00436","","x-ray","0.71073","MoKα","","0.0601","0.0351","","","0.039","0.0406","","","","1.9","1.9","1.68","","","","has coordinates","186950","2020-10-21","18:00:00",""
"4513855","8.33","0.0001","21.758","0.0003","15.532","0.0002","90","","90","","90","","2815.08","0.06","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C29 H26 F3 N3 O6 S -","- C29 H26 F3 N3 O6 S -","- C116 H104 F12 N12 O24 S4 -","4","1","","Montesinos-Magraner, Marc; Vila, Carlos; Rendón-Patiño, Alejandra; Blay, Gonzalo; Fernández, Isabel; Muñoz, M. Carmen; Pedro, José R.","Organocatalytic Enantioselective Friedel‒Crafts Aminoalkylation of Indoles in the Carbocyclic Ring","ACS Catalysis","2016","6","4","2689","","10.1021/acscatal.6b00260","","","0.71073","MoKα","","0.0849","0.0466","","","0.1174","0.1374","","","","","","0.841","","","","has coordinates","181415","2020-10-21","18:00:00",""
"4513856","8.592","0.0002","11.328","0.0003","27.778","0.0005","90","","90","","90","","2703.64","0.11","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C29 H29 N3 O6 S -","- C29 H29 N3 O6 S -","- C116 H116 N12 O24 S4 -","4","1","","Montesinos-Magraner, Marc; Vila, Carlos; Rendón-Patiño, Alejandra; Blay, Gonzalo; Fernández, Isabel; Muñoz, M. Carmen; Pedro, José R.","Organocatalytic Enantioselective Friedel‒Crafts Aminoalkylation of Indoles in the Carbocyclic Ring","ACS Catalysis","2016","6","4","2689","","10.1021/acscatal.6b00260","","","0.71073","MoKα","","0.1071","0.044","","","0.1128","0.1539","","","","","","0.744","","","","has coordinates","181415","2020-10-21","18:00:00",""
"4513857","10.512","0.005","10.602","0.005","13.589","0.005","104.085","0.005","99.52","0.005","91.757","0.005","1444.7","1.1","250","1","250","1","","","","","","","","6","P -1","-P 1","2","","","","- C29 H26 F3 N3 O6 S -","- C29 H26 F3 N3 O6 S -","- C58 H52 F6 N6 O12 S2 -","2","1","","Montesinos-Magraner, Marc; Vila, Carlos; Rendón-Patiño, Alejandra; Blay, Gonzalo; Fernández, Isabel; Muñoz, M. Carmen; Pedro, José R.","Organocatalytic Enantioselective Friedel‒Crafts Aminoalkylation of Indoles in the Carbocyclic Ring","ACS Catalysis","2016","6","4","2689","","10.1021/acscatal.6b00260","","","0.71069","MoKα","","0.0743","0.0492","","","0.1247","0.1456","","","","","","0.98","","","","has coordinates","181415","2020-10-21","18:00:00",""
"4513858","7.23695","0.0001","9.22435","0.00011","23.1301","0.0003","90","","90","","90","","1544.08","0.03","100","0.1","100","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C20 H19 N O2 -","- C20 H19 N O2 -","- C80 H76 N4 O8 -","4","1","","Ghosh, Avipsa; Walker, James A.; Ellern, Arkady; Stanley, Levi M.","Coupling Catalytic Alkene Hydroacylation and α-Arylation: Enantioselective Synthesis of Heterocyclic Ketones with α-Chiral Quaternary Stereocenters","ACS Catalysis","2016","6","4","2673","","10.1021/acscatal.6b00365","","x-ray","1.54184","CuKα","","0.0319","0.0295","","","0.0728","0.0751","","","","","","1.04","","","","has coordinates","181419","2020-10-21","18:00:00",""
"4513859","5.9268","0.0013","19.691","0.005","16.257","0.004","90","","97.006","0.006","90","","1883.1","0.8","296","2","296","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C23 H26 O3 -","- C23 H26 O3 -","- C92 H104 O12 -","4","1","","Chen, Li-Hsun; Chung, Tsai-Wen; Narhe, Bharat D.; Sun, Chung-Ming","A Novel Mechanistic Study on Ultrasound-Assisted, One-Pot Synthesis of Functionalized Benzimidazo[2,1-b]quinazolin-1(1H)-ones.","ACS combinatorial science","2016","18","3","162","169","10.1021/acscombsci.5b00186","","","0.71073","MoKα","","0.0622","0.0412","","","0.0923","0.1015","","","","","","1.022","","","","has coordinates","181328","2020-10-21","18:00:00",""
"4513860","9.8984","0.0005","10.7623","0.0005","13.0612","0.0006","72.798","0.003","81.612","0.003","70.559","0.003","1251.64","0.11","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C28 H31 N3 O3 -","- C28 H31 N3 O3 -","- C56 H62 N6 O6 -","2","1","","Chen, Li-Hsun; Chung, Tsai-Wen; Narhe, Bharat D.; Sun, Chung-Ming","A Novel Mechanistic Study on Ultrasound-Assisted, One-Pot Synthesis of Functionalized Benzimidazo[2,1-b]quinazolin-1(1H)-ones.","ACS combinatorial science","2016","18","3","162","169","10.1021/acscombsci.5b00186","","","0.71073","MoKα","","0.1211","0.0637","","","0.1738","0.2115","","","","","","1.056","","","","has coordinates,has disorder","181329","2020-10-21","18:00:00",""
"4513861","20.7124","0.001","20.7124","0.001","36.593","0.003","90","","90","","90","","15698.5","1.7","100","2","100","2","","","","","","","","3","I 41/a :2","-I 4ad","88","","","","- C23 H28 O4 -","- C23 H28 O4 -","- C736 H896 O128 -","32","2","","Chen, Li-Hsun; Chung, Tsai-Wen; Narhe, Bharat D.; Sun, Chung-Ming","A Novel Mechanistic Study on Ultrasound-Assisted, One-Pot Synthesis of Functionalized Benzimidazo[2,1-b]quinazolin-1(1H)-ones.","ACS combinatorial science","2016","18","3","162","169","10.1021/acscombsci.5b00186","","","0.71073","MoKα","","0.0602","0.0427","","","0.1043","0.116","","","","","","1.008","","","","has coordinates","190287","2020-10-21","18:00:00",""
"4513862","15.1403","0.0015","23.6","0.003","14.0883","0.0016","90","","96.634","0.003","90","","5000.2","1","100","","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C21 H39 Fe N3 O3 P2 -","- C21 H39 Fe N3 O3 P2 -","- C168 H312 Fe8 N24 O24 P16 -","8","2","","Bertini, Federica; Gorgas, Nikolaus; Stöger, Berthold; Peruzzini, Maurizio; Veiros, Luis F.; Kirchner, Karl; Gonsalvi, Luca","Efficient and Mild Carbon Dioxide Hydrogenation to Formate Catalyzed by Fe(II) Hydrido Carbonyl Complexes Bearing 2,6-(Diaminopyridyl)diphosphine Pincer Ligands","ACS Catalysis","2016","","","2889","","10.1021/acscatal.6b00416","","x-ray","0.71073","MoKα","","0.0781","0.0383","","","0.0355","0.0397","","","","1.39","1.39","1.23","","","","has coordinates","181966","2020-10-21","18:00:00",""
"4513863","9.0615","0.0004","10.7999","0.0005","17.4441","0.0009","88.376","0.003","79.606","0.002","82.091","0.003","1663.14","0.14","193","2","193","2","","","","","","","","7","P -1","-P 1","2","","","","- C33 H38 B Li O2 P2 S2 -","- C33 H38 B Li O2 P2 S2 -","- C66 H76 B2 Li2 O4 P4 S4 -","2","1","","Lafage, Mathieu; Pujol, Anthony; Saffon-Merceron, Nathalie; Mézailles, Nicolas","BH3Activation by Phosphorus-Stabilized Geminal Dianions: Synthesis of Ambiphilic Organoborane, DFT Studies, and Catalytic CO2Reduction into Methanol Derivatives","ACS Catalysis","2016","6","5","3030","","10.1021/acscatal.6b00587","","","0.71073","MoKα","","0.0705","0.0497","","","0.1255","0.1399","","","","","","1.022","","","","has coordinates,has disorder","183562","2020-10-21","18:00:00",""
"4513864","15.4208","0.0004","14.8446","0.0004","13.1339","0.0004","90","","92.9702","0.0015","90","","3002.52","0.14","193","2","193","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C29 H35 B2 Li O P2 S2 -","- C29 H35 B2 Li O P2 S2 -","- C116 H140 B8 Li4 O4 P8 S8 -","4","0.5","","Lafage, Mathieu; Pujol, Anthony; Saffon-Merceron, Nathalie; Mézailles, Nicolas","BH3Activation by Phosphorus-Stabilized Geminal Dianions: Synthesis of Ambiphilic Organoborane, DFT Studies, and Catalytic CO2Reduction into Methanol Derivatives","ACS Catalysis","2016","6","5","3030","","10.1021/acscatal.6b00587","","","0.71073","MoKα","","0.0447","0.0344","","","0.0855","0.0925","","","","","","1.024","","","","has coordinates","183562","2020-10-21","18:00:00",""
"4513865","8.4103","0.0003","8.8487","0.0003","20.8277","0.0008","90","","90","","90","","1550","0.1","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","LM1NC377","","- C20 H20 O -","- C20 H20 O -","- C80 H80 O4 -","4","1","","Casanova, Noelia; Del Rio, Karina P.; García-Fandiño, Rebeca; Mascareñas, José L; Gulías, Moisés","Palladium(II)-Catalyzed Annulation between ortho-Alkenylphenols and Allenes. Key Role of the Metal Geometry in Determining the Reaction Outcome.","ACS catalysis","2016","6","5","3349","3353","10.1021/acscatal.6b00739","","x-ray","0.71073","MoKα","","0.0558","0.0417","","","0.0878","0.0943","","","","","","1.034","","","","has coordinates","188902","2020-10-21","18:00:00",""
"4513866","9.4194","0.0013","7.0858","0.0009","19.435","0.003","90","","95.373","0.007","90","","1291.5","0.3","","","100","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C36 H32 O2 -","- C36 H32 O2 -","- C72 H64 O4 -","2","0.5","","Casanova, Noelia; Del Rio, Karina P.; García-Fandiño, Rebeca; Mascareñas, José L; Gulías, Moisés","Palladium(II)-Catalyzed Annulation between ortho-Alkenylphenols and Allenes. Key Role of the Metal Geometry in Determining the Reaction Outcome.","ACS catalysis","2016","6","5","3349","3353","10.1021/acscatal.6b00739","","","0.71073","MoKα","","0.0637","0.0394","","","0.0877","0.101","","","","","","1.0091","","","","has coordinates","188902","2020-10-21","18:00:00",""
"4513867","6.489","0.0012","7.157","0.0013","32.722","0.005","90","","90","","90","","1519.7","0.5","","","99.97","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C20 H19 F O -","- C20 H19 F O -","- C80 H76 F4 O4 -","4","1","","Casanova, Noelia; Del Rio, Karina P.; García-Fandiño, Rebeca; Mascareñas, José L; Gulías, Moisés","Palladium(II)-Catalyzed Annulation between ortho-Alkenylphenols and Allenes. Key Role of the Metal Geometry in Determining the Reaction Outcome.","ACS catalysis","2016","6","5","3349","3353","10.1021/acscatal.6b00739","","","0.71073","MoKα","","0.0654","0.0516","","","0.1214","0.1304","","","","","","1.0323","","","","has coordinates","188902","2020-10-21","18:00:00",""
"4513868","14.136","0.004","9.529","0.003","25.085","0.008","90","","94.09","0.017","90","","3370.4","1.8","100","2","100.01","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H19.16 N2 O4.58 Pd -","- C16 H19 N2 O4.5793 Pd -","- C128 H152 N16 O36.6344 Pd8 -","8","2","","White, Paul B.; Jaworski, Jonathan N.; Zhu, Geyunjian Harry; Stahl, Shannon S.","Diazafluorenone-Promoted Oxidation Catalysis: Insights into the Role of Bidentate Ligands in Pd-Catalyzed Aerobic Aza-Wacker Reactions.","ACS catalysis","2016","6","5","3340","3348","10.1021/acscatal.6b00953","","x-ray","1.54178","CuKα","","0.0226","0.0202","","","0.0495","0.0508","","","","","","1.041","","","","has coordinates","288505","2023-12-22","15:12:02",""
"4513869","11.06","0.003","10.703","0.004","15.879","0.005","90","","102.713","0.011","90","","1833.6","1","100","1","100","1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H17 N3 O5 Pd -","- C20 H17 N3 O5 Pd -","- C80 H68 N12 O20 Pd4 -","4","1","","White, Paul B.; Jaworski, Jonathan N.; Zhu, Geyunjian Harry; Stahl, Shannon S.","Diazafluorenone-Promoted Oxidation Catalysis: Insights into the Role of Bidentate Ligands in Pd-Catalyzed Aerobic Aza-Wacker Reactions.","ACS catalysis","2016","6","5","3340","3348","10.1021/acscatal.6b00953","","x-ray","0.71073","MoKα","","0.0237","0.0219","","","0.0544","0.0554","","","","","","1.125","","","","has coordinates,has disorder","183559","2020-10-21","18:00:00",""
"4513870","12.472","0.006","8.829","0.005","19.26","0.008","90","","90.22","0.03","90","","2120.8","1.8","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H23 N3 O4 Pd -","- C22 H23 N3 O4 Pd -","- C88 H92 N12 O16 Pd4 -","4","1","","White, Paul B.; Jaworski, Jonathan N.; Zhu, Geyunjian Harry; Stahl, Shannon S.","Diazafluorenone-Promoted Oxidation Catalysis: Insights into the Role of Bidentate Ligands in Pd-Catalyzed Aerobic Aza-Wacker Reactions.","ACS catalysis","2016","6","5","3340","3348","10.1021/acscatal.6b00953","","x-ray","0.71073","MoKα","K-L~3~","0.041","0.0301","","","0.0681","0.0722","","","","","","1.063","","","","has coordinates","183559","2020-10-21","18:00:00",""
"4513871","9.8601","0.00019","17.3729","0.0003","10.9482","0.0003","90","","111.164","0.002","90","","1748.92","0.07","290.85","0.1","290.85","0.1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C19 H26 B N O2 -","- C19 H26 B N O2 -","- C76 H104 B4 N4 O8 -","4","2","","Zhan, Miao; Li, Ren-Zhe; Mou, Ze-Dong; Cao, Chao-Guo; Liu, Jie; Chen, Yuan-Wei; Niu, Dawen","Silver-Assisted, Iridium-Catalyzed Allylation of Bis[(pinacolato)boryl]methane Allows the Synthesis of Enantioenriched Homoallylic Organoboronic Esters","ACS Catalysis","2016","6","5","3381","","10.1021/acscatal.6b00719","","x-ray","1.54184","CuKα","","0.0486","0.0477","","","0.127","0.1284","","","","","","1.03","","","","has coordinates","190287","2020-10-21","18:00:00",""
"4513872","36.0683","0.0019","36.0683","0.0019","27.0566","0.0012","90","","90","","90","","35199","3","99.99","","99.99","","","","","","","","","5","P 42/m n m","-P 4n 2n","136","","","","- C51 H32 N4 O9 Zn2 -","- C51 H32 N4 O9 Zn2 -","- C408 H256 N32 O72 Zn16 -","8","0.5","","Hall, Edward A.; Redfern, Louis R.; Wang, Michael H.; Scheidt, Karl A.","Lewis Acid Activation of a Hydrogen Bond Donor Metal‒Organic Framework for Catalysis","ACS Catalysis","2016","6","5","3248","","10.1021/acscatal.6b00424","","x-ray","1.54178","CuKα","","0.2038","0.1212","","","0.3688","0.4101","","","","","","0.968","","","","has coordinates","183561","2020-10-21","18:00:00",""
"4513873","8.7413","0.0003","14.2966","0.0006","15.2329","0.0006","90","","98.084","0.002","90","","1884.75","0.13","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C15 H19 Ir N2 O6 S -","- C15 H19 Ir N2 O6 S -","- C60 H76 Ir4 N8 O24 S4 -","4","1","","Koelewijn, Jacobus M.; Lutz, Martin; Dzik, Wojciech I.; Detz, Remko J.; Reek, Joost N. H.","Reaction Progress Kinetic Analysis as a Tool To Reveal Ligand Effects in Ce(IV)-Driven IrCp*-Catalyzed Water Oxidation","ACS Catalysis","2016","6","6","3418","","10.1021/acscatal.6b00297","","","0.71073","MoKα","","0.0277","0.0213","","","0.0447","0.0472","","","","","","1.033","","","","has coordinates","183554","2020-10-21","18:00:00",""
"4513874","14.4679","0.0011","15.6477","0.0011","23.5422","0.0018","90","","90","","90","","5329.7","0.7","120","2","120","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C46 H79 F6 N Na O13 P -","- C46 H79 F6 N Na O13 P -","- C184 H316 F24 N4 Na4 O52 P4 -","4","1","","Borgström, Björn; Huang, Xiaoli; Chygorin, Eduard; Oredsson, Stina; Strand, Daniel","Salinomycin Hydroxamic Acids: Synthesis, Structure, and Biological Activity of Polyether Ionophore Hybrids.","ACS medicinal chemistry letters","2016","7","6","635","640","10.1021/acsmedchemlett.6b00079","","","0.71073","MoKα","","0.3259","0.0552","","","0.0797","0.1095","","","","","","0.715","","","","has coordinates","184926","2020-10-21","18:00:00",""
"4513875","12.678","0.001","18.461","0.002","18.603","0.001","90","","101.706","0.007","90","","4263.4","0.6","105","2","105","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C43 H73 N O11 -","- C43 H73 N O11 -","- C172 H292 N4 O44 -","4","2","","Borgström, Björn; Huang, Xiaoli; Chygorin, Eduard; Oredsson, Stina; Strand, Daniel","Salinomycin Hydroxamic Acids: Synthesis, Structure, and Biological Activity of Polyether Ionophore Hybrids.","ACS medicinal chemistry letters","2016","7","6","635","640","10.1021/acsmedchemlett.6b00079","","","0.71073","MoKα","","0.1631","0.0638","","","0.0859","0.1029","","","","","","0.755","","","","has coordinates","190287","2020-10-21","18:00:00",""
"4513876","10.5145","0.0005","17.8712","0.0006","12.8433","0.0007","90","","114.07","0.007","90","","2203.5","0.2","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C43 H73 N O11 -","- C43 H73 N O11 -","- C86 H146 N2 O22 -","2","1","","Borgström, Björn; Huang, Xiaoli; Chygorin, Eduard; Oredsson, Stina; Strand, Daniel","Salinomycin Hydroxamic Acids: Synthesis, Structure, and Biological Activity of Polyether Ionophore Hybrids.","ACS medicinal chemistry letters","2016","7","6","635","640","10.1021/acsmedchemlett.6b00079","","","0.71073","MoKα","","0.1186","0.0659","","","0.087","0.1029","","","","","","1.049","","","","has coordinates","184926","2020-10-21","18:00:00",""
"4513877","10.7239","0.0003","15.3597","0.0003","17.7316","0.0003","90","","90","","90","","2920.68","0.11","173","2","173","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C16 H6 N0 O10 P Zn2 -","- C16 H6 O10 P Zn2 -","- C64 H24 O40 P4 Zn8 -","4","0.5","","Li, Lan; Wang, Xusheng; Liang, Jun; Huang, Yuanbiao; Li, Hongfang; Lin, Zujin; Cao, Rong","Water-Stable Anionic Metal-Organic Framework for Highly Selective Separation of Methane from Natural Gas and Pyrolysis Gas.","ACS applied materials & interfaces","2016","8","15","9777","9781","10.1021/acsami.6b00706","","","1.54184","CuKα","","0.0398","0.0324","","","0.0831","0.0861","","","","","","1.063","","","","has coordinates","182453","2020-10-21","18:00:00",""
"4513878","9.0933","0.0002","20.0387","0.0004","23.2417","0.0005","90","","90","","90","","4235.05","0.16","296","2","296.15","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C30 H20 N2 O -","- C30 H20 N2 O -","- C240 H160 N16 O8 -","8","2","","Kumar, Dinesh; Vemula, Sandeep R.; Cook, Gregory R.","Merging C‒H Bond Functionalization with Amide Alcoholysis: En Route to 2-Aminopyridines","ACS Catalysis","2016","6","6","3531","","10.1021/acscatal.6b00728","","","1.54178","CuKα","","0.0427","0.035","","","0.0781","0.0832","","","","","","1.041","","","","has coordinates","190287","2020-10-21","18:00:00",""
"4513879","21.6794","0.0008","5.8892","0.0002","20.8559","0.0007","90","","98.889","0.002","90","","2630.78","0.16","100","2","100.01","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C33 H23 F3 N2 O4 -","- C33 H23 F3 N2 O4 -","- C132 H92 F12 N8 O16 -","4","1","","Kumar, Dinesh; Vemula, Sandeep R.; Cook, Gregory R.","Merging C‒H Bond Functionalization with Amide Alcoholysis: En Route to 2-Aminopyridines","ACS Catalysis","2016","6","6","3531","","10.1021/acscatal.6b00728","","","1.54178","CuKα","","0.0646","0.0435","","","0.0974","0.1068","","","","","","1.058","","","","has coordinates","183557","2020-10-21","18:00:00",""
"4513880","12.5358","0.0005","12.9306","0.0005","14.235","0.0006","66.91","0.002","68.341","0.003","69.341","0.002","1913.41","0.14","100","2","100","","","","","","","","","4","P -1","-P 1","2","","","","- C26 H20 N2 O -","- C26 H20 N2 O -","- C104 H80 N8 O4 -","4","2","","Kumar, Dinesh; Vemula, Sandeep R.; Cook, Gregory R.","Merging C‒H Bond Functionalization with Amide Alcoholysis: En Route to 2-Aminopyridines","ACS Catalysis","2016","6","6","3531","","10.1021/acscatal.6b00728","","","1.54178","CuKα","","0.0937","0.0675","","","0.1885","0.2035","","","","","","1.056","","","","has coordinates","183557","2020-10-21","18:00:00",""
"4513881","12.857","","15.123","","12.073","","90","","102.04","","90","","2295.79","","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C27 H20 Br N O3 S -","- C27 H20 Br N O3 S -","- C108 H80 Br4 N4 O12 S4 -","4","1","","Sun, Jiaqiong; Zheng, Guangfan; Xiong, Tao; Zhang, Qiao; Zhao, Jinbo; Li, Yan; Zhang, Qian","Copper-Catalyzed Hydroxyl-Directed Aminoarylation of Alkynes","ACS Catalysis","2016","6","6","3674","","10.1021/acscatal.6b00759","","","0.71073","MoKα","","0.0805","0.049","","","0.1117","0.1268","","","","","","1.007","","","","has coordinates","183555","2020-10-21","18:00:00",""
"4513882","10.6203","0.0004","11.0296","0.0004","13.8669","0.0005","102.003","0.003","107.216","0.003","99.873","0.003","1469.68","0.1","293","2","293.15","","","","","","","","","5","P -1","-P 1","2","","","","- C35 H30 Br N3 O2 -","- C35 H30 Br N3 O2 -","- C70 H60 Br2 N6 O4 -","2","1","","Wei, Guo; Zhang, Chenhao; Bureš, Filip; Ye, Xinyi; Tan, Choon-Hong; Jiang, Zhiyong","Enantioselective Aerobic Oxidative C(sp3)‒H Olefination of Amines via Cooperative Photoredox and Asymmetric Catalysis","ACS Catalysis","2016","6","6","3708","","10.1021/acscatal.6b00846","","","1.54184","CuKα","","0.0675","0.0593","","","0.1714","0.1817","","","","","","1.057","","","","has coordinates","183556","2020-10-21","18:00:00",""
"4513883","14.1082","0.0016","18.267","0.002","8.1718","0.0009","90","","96.84","0.004","90","","2091","0.4","103","2","103","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C27 H26 O3 -","- C27 H26 O3 -","- C108 H104 O12 -","4","1","","Yan, Jianming; Yoshikai, Naohiko","Cobalt-Catalyzed Arylative Cyclization of Acetylenic Esters and Ketones with Arylzinc Reagents through 1,4-Cobalt Migration","ACS Catalysis","2016","6","6","3738","","10.1021/acscatal.6b01039","","","0.71073","MoKα","","0.0853","0.0538","","","0.1366","0.1666","","","","","","1.043","","","","has coordinates","183553","2020-10-21","18:00:00",""
"4513884","12.787","0.002","12.7131","0.0018","12.427","0.002","90","","114.445","0.003","90","","1839.1","0.5","113","2","113","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H21 N O2 -","- C24 H21 N O2 -","- C96 H84 N4 O8 -","4","1","","Li, Bin; Xu, Hong; Wang, Huanan; Wang, Baiquan","Rhodium-Catalyzed Annulation of Tertiary AnilineN-Oxides toN-Alkylindoles: Regioselective C‒H Activation, Oxygen-Atom Transfer, andN-Dealkylative Cyclization","ACS Catalysis","2016","6","6","3856","","10.1021/acscatal.6b00311","","","0.71073","MoKα","","0.0399","0.0365","","","0.1046","0.1068","","","","","","1.074","","","","has coordinates","183552","2020-10-21","18:00:00",""
"4513885","9.67","0.0018","19.62","0.003","9.9545","0.0018","90","","112.567","0.003","90","","1744","0.5","113","2","113","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C22 H18 Br N -","- C22 H18 Br N -","- C88 H72 Br4 N4 -","4","1","","Li, Bin; Xu, Hong; Wang, Huanan; Wang, Baiquan","Rhodium-Catalyzed Annulation of Tertiary AnilineN-Oxides toN-Alkylindoles: Regioselective C‒H Activation, Oxygen-Atom Transfer, andN-Dealkylative Cyclization","ACS Catalysis","2016","6","6","3856","","10.1021/acscatal.6b00311","","","0.71073","MoKα","","0.0251","0.0213","","","0.0558","0.0568","","","","","","1.071","","","","has coordinates","183552","2020-10-21","18:00:00",""
"4513886","4.8832","0.0003","15.6825","0.0011","19.696","0.0013","90","","90","","90","","1508.34","0.17","100","","99.99","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C14 H16 F3 N3 O3 -","- C14 H16 F3 N3 O3 -","- C56 H64 F12 N12 O12 -","4","1","","Barron, Benedict J.; Wong, Wing-Tak; Chiu, Pauline; Hii, King Kuok","“Goldilocks Effect” of Water in Lewis-Brønsted Acid and Base Catalysis","ACS Catalysis","2016","6","7","4189","","10.1021/acscatal.6b00800","","x-ray","1.54178","CuKα","","0.043","0.0423","","","0.108","0.1087","","","","","","1.101","","","","has coordinates","184922","2020-10-21","18:00:00",""
"4513887","11.5615","0.0019","11.966","0.003","21.75","0.005","90","","90","","90","","3009","1.1","294","2","294","2","","","","","","","synthesis as described","4","P b c n","-P 2n 2ab","60","","","","- C20 H13 N O2 -","- C20 H13 N O2 -","- C160 H104 N8 O16 -","8","1","","Abdellaoui, Fatma; Youssef, Chiraz; Ben Ammar, Hamed; Roisnel, Thierry; Soulé, Jean-François; Doucet, Henri","Palladium-Catalyzed Regioselective C‒H Bond Arylations of Benzoxazoles and Benzothiazoles at the C7 Position","ACS Catalysis","2016","6","7","4248","","10.1021/acscatal.6b00678","","x-ray","0.71073","MoKα","","0.073","0.0406","","","0.0956","0.1134","","","","","","1.012","","","","has coordinates","184923","2020-10-21","18:00:00",""
"4513888","7.3619","0.0003","15.6139","0.0009","10.5158","0.0006","90","","95.783","0.003","90","","1202.62","0.11","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C9 H18 Cl N3 Si -","- C9 H18 Cl N3 Si -","- C36 H72 Cl4 N12 Si4 -","4","1","","von Wolff, N.; Lefèvre, G.; Berthet, J.-C.; Thuéry, P.; Cantat, T.","Implications of CO2Activation by Frustrated Lewis Pairs in the Catalytic Hydroboration of CO2: A View Using N/Si+Frustrated Lewis Pairs","ACS Catalysis","2016","","","4526","","10.1021/acscatal.6b00421","","","0.71073","MoKα","","0.0572","0.0368","","","0.0988","0.1056","","","","","","1.055","","","","has coordinates","183482","2020-10-21","18:00:00",""
"4513889","9.2603","0.0004","12.2644","0.0009","14.0949","0.001","90","","101.148","0.004","90","","1570.58","0.18","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C13 H26 Cl N3 Si -","- C13 H26 Cl N3 Si -","- C52 H104 Cl4 N12 Si4 -","4","1","","von Wolff, N.; Lefèvre, G.; Berthet, J.-C.; Thuéry, P.; Cantat, T.","Implications of CO2Activation by Frustrated Lewis Pairs in the Catalytic Hydroboration of CO2: A View Using N/Si+Frustrated Lewis Pairs","ACS Catalysis","2016","","","4526","","10.1021/acscatal.6b00421","","","0.71073","MoKα","","0.046","0.0383","","","0.103","0.1081","","","","","","1.029","","","","has coordinates","183482","2020-10-21","18:00:00",""
"4513890","10.4208","0.0003","32.2781","0.0011","20.9281","0.0004","90","","91.711","0.002","90","","7036.3","0.3","150","2","150","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C70 H44 B2 F40 N6 O2 Si2 -","- C70 H44 B2 F40 N6 O2 Si2 -","- C280 H176 B8 F160 N24 O8 Si8 -","4","0.5","","von Wolff, N.; Lefèvre, G.; Berthet, J.-C.; Thuéry, P.; Cantat, T.","Implications of CO2Activation by Frustrated Lewis Pairs in the Catalytic Hydroboration of CO2: A View Using N/Si+Frustrated Lewis Pairs","ACS Catalysis","2016","","","4526","","10.1021/acscatal.6b00421","","","0.71073","MoKα","","0.0413","0.0318","","","0.0819","0.0856","","","","","","1.034","","","","has coordinates","183482","2020-10-21","18:00:00",""
"4513891","17.0441","0.001","17.1344","0.0005","26.8405","0.0015","90","","90","","90","","7838.5","0.7","150","2","150","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C22 H36 F12 N8 O8 S4 Si2 -","- C20 H36 F6 N7 O4 S2 Si2 -","- C160 H288 F48 N56 O32 S16 Si16 -","8","1","","von Wolff, N.; Lefèvre, G.; Berthet, J.-C.; Thuéry, P.; Cantat, T.","Implications of CO2Activation by Frustrated Lewis Pairs in the Catalytic Hydroboration of CO2: A View Using N/Si+Frustrated Lewis Pairs","ACS Catalysis","2016","","","4526","","10.1021/acscatal.6b00421","","","0.71073","MoKα","","0.0915","0.0673","","","0.1904","0.2053","","","","","","0.964","","","","has coordinates","183482","2020-10-21","18:00:00",""
"4513892","8.6635","0.0005","9.8107","0.0003","9.9624","0.0006","90","","92.613","0.003","90","","845.87","0.08","150","2","150","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C12.5 H20.5 Cl N3.5 O2 Si -","- C12.5 H20.5 Cl N3.5 O2 Si -","- C25 H41 Cl2 N7 O4 Si2 -","2","1","","von Wolff, N.; Lefèvre, G.; Berthet, J.-C.; Thuéry, P.; Cantat, T.","Implications of CO2Activation by Frustrated Lewis Pairs in the Catalytic Hydroboration of CO2: A View Using N/Si+Frustrated Lewis Pairs","ACS Catalysis","2016","","","4526","","10.1021/acscatal.6b00421","","","0.71073","MoKα","","0.0442","0.0428","","","0.1278","0.1294","","","","","","1.102","","","","has coordinates,has disorder","183482","2020-10-21","18:00:00",""
"4513893","7.9383","0.0007","13.9155","0.0012","16.4838","0.0009","75.2","0.005","84.476","0.005","76.031","0.004","1707.3","0.2","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C34 H18 B F20 N3 O2 Si -","- C34 H18 B F20 N3 O2 Si -","- C68 H36 B2 F40 N6 O4 Si2 -","2","1","","von Wolff, N.; Lefèvre, G.; Berthet, J.-C.; Thuéry, P.; Cantat, T.","Implications of CO2Activation by Frustrated Lewis Pairs in the Catalytic Hydroboration of CO2: A View Using N/Si+Frustrated Lewis Pairs","ACS Catalysis","2016","","","4526","","10.1021/acscatal.6b00421","","","0.71073","MoKα","","0.053","0.0381","","","0.0962","0.1031","","","","","","1.029","","","","has coordinates","183482","2020-10-21","18:00:00",""
"4513894","8.5953","0.0008","8.5523","0.0004","11.7943","0.0011","90","","92.704","0.004","90","","866.03","0.12","150","2","150","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C19 H23 N3 Si -","- C19 H23 N3 Si -","- C38 H46 N6 Si2 -","2","1","","von Wolff, N.; Lefèvre, G.; Berthet, J.-C.; Thuéry, P.; Cantat, T.","Implications of CO2Activation by Frustrated Lewis Pairs in the Catalytic Hydroboration of CO2: A View Using N/Si+Frustrated Lewis Pairs","ACS Catalysis","2016","","","4526","","10.1021/acscatal.6b00421","","","0.71073","MoKα","","0.0699","0.059","","","0.1521","0.1584","","","","","","1.121","","","","has coordinates,has disorder","183482","2020-10-21","18:00:00",""
"4513895","9.263","0.004","13.429","0.005","17.935","0.007","90","0","90","0","90","0","2231","1.5","295","2","295","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C20 H24 Cl2 Ir N3 -","- C20 H24 Cl2 Ir N3 -","- C80 H96 Cl8 Ir4 N12 -","4","1","","Bucci, Alberto; Menendez Rodriguez, Gabriel; Bellachioma, Gianfranco; Zuccaccia, Cristiano; Poater, Albert; Cavallo, Luigi; Macchioni, Alceo","An Alternative Reaction Pathway for Iridium-Catalyzed Water Oxidation Driven by Cerium Ammonium Nitrate (CAN)","ACS Catalysis","2016","6","7","4559","","10.1021/acscatal.6b01325","","","0.71069","MoKα","","0.0879","0.0581","","","0.1644","0.1707","","","","","","1.045","","","","has coordinates,has disorder","184924","2020-10-21","18:00:00",""
"4513896","8.829","0.0009","9.7497","0.001","11.1413","0.0012","80.054","0.002","72.419","0.002","72.098","0.002","866.6","0.16","293","2","293","2","","","","","","","","4","P -1","-P 1","2","4-(3,7,7-trimethyl-5-oxo-5,6,7,8-tetrahydro-1H- pyrazolo[3,4-b]quinolin-1-yl)benzonitrile","4-(3,7,7-trimethyl-5-oxo-5,6,7,8-tetrahydro-1H- pyrazolo[3,4-b]quinolin-1-yl)benzonitrile","","- C20 H18 N4 O -","- C20 H18 N4 O -","- C40 H36 N8 O2 -","2","1","","Sumesh, Remani Vasudevan; Muthu, Muthumani; Almansour, Abdulrahman I.; Suresh Kumar, Raju; Arumugam, Natarajan; Athimoolam, S.; Jeya Yasmi Prabha, E. Arockia; Kumar, Raju Ranjith","Multicomponent Dipolar Cycloaddition Strategy: Combinatorial Synthesis of Novel Spiro-Tethered Pyrazolo[3,4-b]quinoline Hybrid Heterocycles.","ACS combinatorial science","2016","18","5","262","270","10.1021/acscombsci.6b00003","","","0.71073","MoKα","","0.0513","0.0449","","","0.1286","0.1353","","","","","","1.041","","","","has coordinates","183484","2020-10-21","18:00:00",""
"4513897","14.3841","0.0009","14.7846","0.0008","16.9692","0.0011","91.767","0.011","96.391","0.014","92.148","0.012","3581.5","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","4'-(2,4-Dichlorophenyl)-1',3''-dimethyl-1''-phenyl-7'' ,8''-dihydrodispiro[indoline-3,2'-pyrrolidine-3', 6''-pyrazolo[3,4-b]quinoline]-2,5''(1''H)-dione","4'-(2,4-Dichlorophenyl)-1',3''-dimethyl-1''-phenyl-7'' ,8''-dihydrodispiro[indoline-3,2'-pyrrolidine-3', 6''-pyrazolo[3,4-b]quinoline]-2,5''(1''H)-dione","","- C34 H27 Cl2 N5 O2 -","- C34 H27 Cl2 N5 O2 -","- C136 H108 Cl8 N20 O8 -","4","2","","Sumesh, Remani Vasudevan; Muthu, Muthumani; Almansour, Abdulrahman I.; Suresh Kumar, Raju; Arumugam, Natarajan; Athimoolam, S.; Jeya Yasmi Prabha, E. Arockia; Kumar, Raju Ranjith","Multicomponent Dipolar Cycloaddition Strategy: Combinatorial Synthesis of Novel Spiro-Tethered Pyrazolo[3,4-b]quinoline Hybrid Heterocycles.","ACS combinatorial science","2016","18","5","262","270","10.1021/acscombsci.6b00003","","","0.71073","MoKα","","0.1359","0.0964","","","0.2703","0.2947","","","","","","1.114","","","","has coordinates","190287","2020-10-21","18:00:00",""
"4513898","13.6926","0.001","18.4002","0.0013","22.7816","0.0017","90","","99.366","0.001","90","","5663.2","0.7","294","2","294","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","3-methyl-1-phenyl-1,6,7,8-tetrahydro-5H-pyrazolo[3,4-b]quinolin-5-one","3-Methyl-1-phenyl-1,6,7,8-tetrahydro-5H-pyrazolo[3,4-b]quinolin-5-one","","- C17 H15 N3 O -","- C17 H15 N3 O -","- C272 H240 N48 O16 -","16","4","","Sumesh, Remani Vasudevan; Muthu, Muthumani; Almansour, Abdulrahman I.; Suresh Kumar, Raju; Arumugam, Natarajan; Athimoolam, S.; Jeya Yasmi Prabha, E. Arockia; Kumar, Raju Ranjith","Multicomponent Dipolar Cycloaddition Strategy: Combinatorial Synthesis of Novel Spiro-Tethered Pyrazolo[3,4-b]quinoline Hybrid Heterocycles.","ACS combinatorial science","2016","18","5","262","270","10.1021/acscombsci.6b00003","","","0.71073","MoKα","","0.0989","0.0611","","","0.1649","0.1988","","","","","","1.011","","","","has coordinates,has disorder","183486","2020-10-21","18:00:00",""
"4513899","24.5991","0.0011","14.5605","0.0006","25.6393","0.0011","90","","106.121","0.001","90","","8822.2","0.7","200","2","200","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C69 H64 Cl2 Co F51 N7 O5 -","- C69 H60 Cl2 Co F51 N7 O5 -","- C276 H240 Cl8 Co4 F204 N28 O20 -","4","1","","Chen, Ba-Tian; Morlanés, Natalia; Adogla, Enoch; Takanabe, Kazuhiro; Rodionov, Valentin O.","An Efficient and Stable Hydrophobic Molecular Cobalt Catalyst for Water Electro-oxidation at Neutral pH","ACS Catalysis","2016","6","7","4647","","10.1021/acscatal.6b01237","","x-ray","0.71073","MoKα","","0.1033","0.0871","","","0.2466","0.2662","","","","","","1.057","","","","has coordinates,has disorder","184925","2020-10-21","18:00:00",""
"4513900","9.8908","0.0002","10.8195","0.0003","12.6228","0.0003","82.7016","0.0013","87.4478","0.0012","81.7877","0.0013","1325.65","0.06","296","2","296","2","","","","","","","","5","P -1","-P 1","2","SKL-20150804","","","- C29 H20 N O3 S -","- C29 H20 N O3 S -","- C58 H40 N2 O6 S2 -","2","1","","Chen, Zi-Sheng; Huang, Liang-Zhu; Jeon, Hyun Ji; Xuan, Zi; Lee, Sang-gi","Cooperative Pd(0)/Rh(II) Dual Catalysis: Interceptive Capturing of π-Allyl Pd(II) Complexes with α-Imino Rh(II) Carbenoids","ACS Catalysis","2016","6","8","4914","","10.1021/acscatal.6b01110","","","0.71073","","","0.1182","0.097","","","0.2758","0.3058","","","","","","0.968","","","","has coordinates","186239","2020-10-21","18:00:00",""
"4513901","6.3051","0.0004","8.242","0.0005","21.9792","0.0014","90.797","0.004","96.108","0.003","96.816","0.003","1127.27","0.12","170","2","170","2","","","","","","","","5","P -1","-P 1","2","SKL-20150330","","","- C25 H22 N2 O6 S -","- C25 H22 N2 O6 S -","- C50 H44 N4 O12 S2 -","2","1","","Chen, Zi-Sheng; Huang, Liang-Zhu; Jeon, Hyun Ji; Xuan, Zi; Lee, Sang-gi","Cooperative Pd(0)/Rh(II) Dual Catalysis: Interceptive Capturing of π-Allyl Pd(II) Complexes with α-Imino Rh(II) Carbenoids","ACS Catalysis","2016","6","8","4914","","10.1021/acscatal.6b01110","","","0.71073","","","0.115","0.0923","","","0.1901","0.1984","","","","","","1.122","","","","has coordinates","186239","2020-10-21","18:00:00",""
"4513902","18.2143","0.0003","12.64794","0.00018","19.337","0.0004","90","","111.871","0.002","90","","4134.1","0.14","150","0.1","150","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C32 H48.9 Cl3 Co2 N8 O16.71 -","- C32 H49 Cl3 Co2 N8 O16.7 -","- C128 H196 Cl12 Co8 N32 O66.8 -","4","1","","Wang, Jia-Wei; Sahoo, Pathik; Lu, Tong-Bu","Reinvestigation of Water Oxidation Catalyzed by a Dinuclear Cobalt Polypyridine Complex: Identification of CoOxas a Real Heterogeneous Catalyst","ACS Catalysis","2016","","","5062","","10.1021/acscatal.6b00798","","x-ray","0.71073","MoKα","","0.0846","0.0644","","","0.1555","0.1741","","","","","","1.025","","","","has coordinates,has disorder","184265","2020-10-21","18:00:00",""
"4513903","13.4223","0.0003","15.5169","0.0003","23.9951","0.0007","90","","104.683","0.001","90","","4834.3","0.2","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C51 H66 Cl2 N2 O2 Ti -","- C51 H66 Cl2 N2 O2 Ti -","- C204 H264 Cl8 N8 O8 Ti4 -","4","1","","Pletcher, Paul D.; Switzer, Jeffrey M.; Steelman, D. Keith; Medvedev, Grigori A.; Delgass, W. Nicholas; Caruthers, James M.; Abu-Omar, Mahdi M.","Quantitative Comparative Kinetics of 1-Hexene Polymerization across Group IV Bis-Phenolate Catalysts","ACS Catalysis","2016","6","8","5138","","10.1021/acscatal.6b00974","","","0.71073","MoKα","","0.1284","0.0927","","","0.1945","0.2098","","","","","","1.054","","","","has coordinates","186240","2020-10-21","18:00:00",""
"4513904","13.683","0.0013","8.7527","0.0008","16.3494","0.0014","90","","102.176","0.003","90","","1914","0.3","109","2","109","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H24 I Ir N2 -","- C20 H24 I Ir N2 -","- C80 H96 I4 Ir4 N8 -","4","1","","Thenarukandiyil, Ranjeesh; Gupta, Suraj K.; Choudhury, Joyanta","Unraveling the Competition of Two C‒H and Two M‒C Bonds in Guiding the Mechanism of Rhodium(III)-Catalyzed C‒H Activation‒Annulation","ACS Catalysis","2016","6","8","5132","","10.1021/acscatal.6b01486","","","0.71073","MoKα","","0.019","0.0187","","","0.0471","0.0473","","","","","","1.137","","","","has coordinates","186243","2020-10-21","18:00:00",""
"4513905","10.646","0.003","17.272","0.005","14.564","0.005","90","","101.437","0.01","90","","2624.8","1.4","298","2","298","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C26 H30 I Ir N2 O4 -","- C26 H30 I Ir N2 O4 -","- C104 H120 I4 Ir4 N8 O16 -","4","1","","Thenarukandiyil, Ranjeesh; Gupta, Suraj K.; Choudhury, Joyanta","Unraveling the Competition of Two C‒H and Two M‒C Bonds in Guiding the Mechanism of Rhodium(III)-Catalyzed C‒H Activation‒Annulation","ACS Catalysis","2016","6","8","5132","","10.1021/acscatal.6b01486","","","0.71073","MoKα","","0.0687","0.052","","","0.1402","0.1548","","","","","","1.25","","","","has coordinates","186243","2020-10-21","18:00:00",""
"4513906","10.6334","0.0006","17.2916","0.001","14.4816","0.0008","90","","101.307","0.004","90","","2611","0.3","298","2","298","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C26 H30 I N2 O4 Rh -","- C26 H30 I N2 O4 Rh -","- C104 H120 I4 N8 O16 Rh4 -","4","1","","Thenarukandiyil, Ranjeesh; Gupta, Suraj K.; Choudhury, Joyanta","Unraveling the Competition of Two C‒H and Two M‒C Bonds in Guiding the Mechanism of Rhodium(III)-Catalyzed C‒H Activation‒Annulation","ACS Catalysis","2016","6","8","5132","","10.1021/acscatal.6b01486","","","0.71073","MoKα","","0.1113","0.0487","","","0.0773","0.0937","","","","","","1.026","","","","has coordinates","186243","2020-10-21","18:00:00",""
"4513907","19.697","0.003","5.855","0.002","9.532","0.003","90","","95.8","0.02","90","","1093.7","0.5","80","2","80","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C16 H30 Ca O12 -","- C16 H30 Ca O12 -","- C32 H60 Ca2 O24 -","2","0.5","","Petrus, Rafał; Bykowski, Dominik; Sobota, Piotr","Solvothermal Alcoholysis Routes for Recycling Polylactide Waste as Lactic Acid Esters","ACS Catalysis","2016","6","8","5222","","10.1021/acscatal.6b01009","","","0.71073","MoKα","","0.1457","0.0993","","","0.1847","0.2125","","","","","","1.121","","","","has coordinates,has disorder","186952","2020-10-21","18:00:00",""
"4513908","8.768","0.007","9.508","0.006","10.629","0.01","97.45","0.03","100.88","0.03","117.39","0.03","748.4","1.1","100","2","100","2","","","","","","","","5","P 1","P 1","1","","","","- C20 H40 Ca Cl2 O12 -","- C20 H40 Ca Cl2 O12 -","- C20 H40 Ca Cl2 O12 -","1","1","","Petrus, Rafał; Bykowski, Dominik; Sobota, Piotr","Solvothermal Alcoholysis Routes for Recycling Polylactide Waste as Lactic Acid Esters","ACS Catalysis","2016","6","8","5222","","10.1021/acscatal.6b01009","","","1.54178","CuKα","","0.0604","0.0565","","","0.1434","0.1614","","","","","","1.074","","","","has coordinates","186952","2020-10-21","18:00:00",""
"4513909","17.6665","0.0007","8.8044","0.0003","12.3437","0.0005","90","","98.647","0.0019","90","","1898.15","0.13","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C17 H24 N2 O S3 -","- C17 H24 N2 O S3 -","- C68 H96 N8 O4 S12 -","4","1","","Schlüter, Torben; Ziyaei Halimehjani, Azim; Wachtendorf, Daniel; Schmidtmann, Marc; Martens, Jürgen","Four-Component Reaction for the Synthesis of Dithiocarbamates Starting from Cyclic Imines.","ACS combinatorial science","2016","18","8","456","460","10.1021/acscombsci.6b00029","","","0.71073","MoKα","","0.0321","0.0282","","","0.076","0.0787","","","","","","1.005","","","","has coordinates","186252","2020-10-21","18:00:00",""
"4513910","6.266","0.0004","9.3515","0.0005","9.3563","0.0005","90","","108.635","0.002","90","","519.5","0.05","100","2","100.01","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C4 H12 Cl2 O2 Pd S2 -","- C4 H12 Cl2 O2 Pd S2 -","- C8 H24 Cl4 O4 Pd2 S4 -","2","0.5","","Vemula, Sandeep R.; Kumar, Dinesh; Cook, Gregory R.","Palladium-Catalyzed Allylic Amidation with N-Heterocycles via sp3C‒H Oxidation","ACS Catalysis","2016","6","8","5295","","10.1021/acscatal.6b01818","","","1.54178","CuKα","","0.0335","0.0334","","","0.0933","0.0934","","","","","","1.14","","","","has coordinates","186951","2020-10-21","18:00:00",""
"4513911","10.1578","0.0003","10.4643","0.0004","16.6141","0.0005","90","","90.274","0.002","90","","1765.96","0.1","100","2","100","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C18 H15 Cl2 Pd2 -","- C18 H15 Cl2 Pd2 -","- C72 H60 Cl8 Pd8 -","4","1","","Vemula, Sandeep R.; Kumar, Dinesh; Cook, Gregory R.","Palladium-Catalyzed Allylic Amidation with N-Heterocycles via sp3C‒H Oxidation","ACS Catalysis","2016","6","8","5295","","10.1021/acscatal.6b01818","","","1.54178","CuKα","","0.0765","0.0711","","","0.1895","0.1959","","","","","","1.116","","","","has coordinates","186951","2020-10-21","18:00:00",""
"4513912","8.9213","0.0001","9.9325","0.0001","20.8095","0.0003","90","","90","","90","","1843.95","0.04","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C23 H22 N2 O -","- C23 H22 N2 O -","- C92 H88 N8 O4 -","4","1","","Zhuo, Chun-Xiang; Zhang, Xiao; You, Shu-Li","Enantioselective Synthesis of Pyrrole-Fused Piperazine and Piperazinone Derivatives via Ir-Catalyzed Asymmetric Allylic Amination","ACS Catalysis","2016","6","8","5307","","10.1021/acscatal.6b01585","","","1.54178","CuKα","","0.0274","0.0274","","","0.098","0.0984","","","","","","1.03","","","","has coordinates","186241","2020-10-21","18:00:00",""
"4513913","7.826","0.003","9.969","0.004","16.338","0.006","90","","98.843","0.004","90","","1259.5","0.8","120","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C11 H13 N3 O2 S2 -","- C11 H13 N3 O2 S2 -","- C44 H52 N12 O8 S8 -","4","1","","Myers, Stephanie M.; Bawn, Ruth H.; Bisset, Louise C.; Blackburn, Timothy J.; Cottyn, Betty; Molyneux, Lauren; Wong, Ai-Ching; Cano, Celine; Clegg, William; Harrington, Ross W.; Leung, Hing; Rigoreau, Laurent; Vidot, Sandrine; Golding, Bernard T.; Griffin, Roger J.; Hammonds, Tim; Newell, David R.; Hardcastle, Ian R.","High-Throughput Screening and Hit Validation of Extracellular-Related Kinase 5 (ERK5) Inhibitors.","ACS combinatorial science","2016","","","","","10.1021/acscombsci.5b00155","","","0.6946","synchrotron","","0.0643","0.0449","","","0.118","0.1295","","","","","","1.034","","","","has coordinates","184585","2020-10-21","18:00:00",""
"4513914","6.3088","0.0011","9.4321","0.0016","11.166","0.002","92.623","0.002","106.331","0.002","105.543","0.002","609.02","0.18","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C11 H13 N3 O2 S2 -","- C11 H13 N3 O2 S2 -","- C22 H26 N6 O4 S4 -","2","1","","Myers, Stephanie M.; Bawn, Ruth H.; Bisset, Louise C.; Blackburn, Timothy J.; Cottyn, Betty; Molyneux, Lauren; Wong, Ai-Ching; Cano, Celine; Clegg, William; Harrington, Ross W.; Leung, Hing; Rigoreau, Laurent; Vidot, Sandrine; Golding, Bernard T.; Griffin, Roger J.; Hammonds, Tim; Newell, David R.; Hardcastle, Ian R.","High-Throughput Screening and Hit Validation of Extracellular-Related Kinase 5 (ERK5) Inhibitors.","ACS combinatorial science","2016","","","","","10.1021/acscombsci.5b00155","","","0.6946","synchrotron","","0.0374","0.035","","","0.0964","0.0989","","","","","","1.061","","","","has coordinates","184585","2020-10-21","18:00:00",""
"4513915","14.3612","0.0003","9.07325","0.00014","18.9809","0.0004","90","","90","","90","","2473.26","0.08","150","2","150","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C10 H13 N3 O2 S2 -","- C10 H13 N3 O2 S2 -","- C80 H104 N24 O16 S16 -","8","2","","Myers, Stephanie M.; Bawn, Ruth H.; Bisset, Louise C.; Blackburn, Timothy J.; Cottyn, Betty; Molyneux, Lauren; Wong, Ai-Ching; Cano, Celine; Clegg, William; Harrington, Ross W.; Leung, Hing; Rigoreau, Laurent; Vidot, Sandrine; Golding, Bernard T.; Griffin, Roger J.; Hammonds, Tim; Newell, David R.; Hardcastle, Ian R.","High-Throughput Screening and Hit Validation of Extracellular-Related Kinase 5 (ERK5) Inhibitors.","ACS combinatorial science","2016","","","","","10.1021/acscombsci.5b00155","","","0.71073","MoKα","","0.0432","0.0319","","","0.0764","0.079","","","","","","0.964","","","","has coordinates","184585","2020-10-21","18:00:00",""
"4513916","8.7284","0.0017","19.229","0.004","27.468","0.006","90","","90","","90","","4610.2","1.7","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C26 H32 N2 O -","- C26 H32 N2 O -","- C208 H256 N16 O8 -","8","1","","Zheng, Sichao; Zhong, Shufang; Chen, Zhipeng; Chen, Wenhua; Zhu, Qiuhua","Efficient Synthesis of a Series of Novel Octahydroquinazoline-5-ones via a Simple on-Water Urea-Catalyzed Chemoselective Five-Component Reaction.","ACS combinatorial science","2016","18","8","475","481","10.1021/acscombsci.6b00038","","","0.71073","MoKα","","0.071","0.0519","","","0.1716","0.192","","","","","","1.121","","","","has coordinates","186251","2020-10-21","18:00:00",""
"4513917","13.936","0.008","8.669","0.004","18.401","0.01","90","","104.393","0.007","90","","2153","2","150","","150","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C29 H22 N2 O -","- C29 H22 N2 O -","- C116 H88 N8 O4 -","4","1","","Maity, Soham; Kancherla, Rajesh; Dhawa, Uttam; Hoque, Ehtasimul; Pimparkar, Sandeep; Maiti, Debabrata","Switch to Allylic Selectivity in Cobalt-Catalyzed Dehydrogenative Heck Reactions with Unbiased Aliphatic Olefins","ACS Catalysis","2016","","","5493","","10.1021/acscatal.6b01816","","","0.7107","MoKα","","0.1068","0.0795","","","0.1891","0.2068","","","","","","1.179","","","","has coordinates","255805","2020-10-21","18:00:00",""
"4513918","10.3908","0.0007","11.9666","0.0008","17.1508","0.0013","90","","106.646","0.002","90","","2043.2","0.2","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C14 H14 Cl4 N8 Pd2 -","- C14 H14 Cl4 N8 Pd2 -","- C56 H56 Cl16 N32 Pd8 -","4","1","","Dehury, Niranjan; Maity, Niladri; Tripathy, Suman Kumar; Basset, Jean-Marie; Patra, Srikanta","Dinuclear Tetrapyrazolyl Palladium Complexes Exhibiting Facile Tandem Transfer Hydrogenation/Suzuki Coupling Reaction of Fluoroarylketone","ACS Catalysis","2016","6","8","5535","","10.1021/acscatal.6b01421","","","0.71073","MoKα","","0.0656","0.0353","","","0.105","0.1295","","","","","","0.882","","","","has coordinates","186242","2020-10-21","18:00:00",""
"4513919","13.098","0.004","14.599","0.004","14.668","0.004","90","","113.234","0.012","90","","2577.3","1.3","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C20 H18 Cl4 N8 Pd2 -","- C20 H18 Cl4 N8 Pd2 -","- C80 H72 Cl16 N32 Pd8 -","4","0.5","","Dehury, Niranjan; Maity, Niladri; Tripathy, Suman Kumar; Basset, Jean-Marie; Patra, Srikanta","Dinuclear Tetrapyrazolyl Palladium Complexes Exhibiting Facile Tandem Transfer Hydrogenation/Suzuki Coupling Reaction of Fluoroarylketone","ACS Catalysis","2016","6","8","5535","","10.1021/acscatal.6b01421","","","0.71073","MoKα","","0.0955","0.0634","","","0.1442","0.1614","","","","","","1.164","","","","has coordinates","186242","2020-10-21","18:00:00",""
"4513920","7.602","0.001","8.298","0.0011","10.7372","0.0015","99.281","0.004","104.335","0.004","102.182","0.004","624.94","0.15","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H18 Cl4 N8 Pd2 -","- C20 H18 Cl4 N8 Pd2 -","- C20 H18 Cl4 N8 Pd2 -","1","0.5","","Dehury, Niranjan; Maity, Niladri; Tripathy, Suman Kumar; Basset, Jean-Marie; Patra, Srikanta","Dinuclear Tetrapyrazolyl Palladium Complexes Exhibiting Facile Tandem Transfer Hydrogenation/Suzuki Coupling Reaction of Fluoroarylketone","ACS Catalysis","2016","6","8","5535","","10.1021/acscatal.6b01421","","","0.71073","MoKα","","0.1304","0.0748","","","0.165","0.1929","","","","","","1.105","","","","has coordinates","186242","2020-10-21","18:00:00",""
"4513921","14.6259","0.0003","13.2292","0.0003","16.0114","0.0003","90","","101.154","0.001","90","","3039.51","0.11","200","2","200","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C15 H18 Cl N3 Ni O -","- C15 H18 Cl N3 Ni O -","- C120 H144 Cl8 N24 Ni8 O8 -","8","1","","Soni, Vineeta; Jagtap, Rahul A.; Gonnade, Rajesh G.; Punji, Benudhar","Unified Strategy for Nickel-Catalyzed C-2 Alkylation of Indoles through Chelation Assistance","ACS Catalysis","2016","6","9","5666","","10.1021/acscatal.6b02003","","","0.71073","MoKα","","0.024","0.0219","","","0.0547","0.0559","","","","","","1.078","","","","has coordinates","186953","2020-10-21","18:00:00",""
"4513922","15.7724","0.0004","14.0286","0.0003","16.1653","0.0004","90","","101.236","0.001","90","","3508.25","0.15","200","2","200","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C17 H22 N3 Ni O3.5 -","- C17 H21 N3 Ni O3.5 -","- C136 H168 N24 Ni8 O28 -","8","2","","Soni, Vineeta; Jagtap, Rahul A.; Gonnade, Rajesh G.; Punji, Benudhar","Unified Strategy for Nickel-Catalyzed C-2 Alkylation of Indoles through Chelation Assistance","ACS Catalysis","2016","6","9","5666","","10.1021/acscatal.6b02003","","","0.71073","MoKα","","0.036","0.0283","","","0.0673","0.0723","","","","","","1.038","","","","has coordinates","190287","2020-10-21","18:00:00",""
"4513923","26.861","0.002","7.7454","0.0007","21.4543","0.0019","90","","97.763","0.001","90","","4422.6","0.6","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","AES2-013","Compound-L4-Rh","","- C22 H33 B F4 P Rh -","- C22 H33 B F4 P Rh -","- C176 H264 B8 F32 P8 Rh8 -","8","1","","Strom, Alexandra E.; Balcells, David; Hartwig, John F.","Synthetic and Computational Studies on the Rhodium-Catalyzed Hydroamination of Aminoalkenes","ACS Catalysis","2016","6","9","5651","","10.1021/acscatal.6b01320","","","0.71073","MoKα","","0.0566","0.0412","","","0.0961","0.1068","","","","","","1.032","","","","has coordinates","204147","2020-10-21","18:00:00",""
"4513924","10.927","0.002","14.743","0.003","15.848","0.003","106.91","0.009","90.715","0.009","94.619","0.01","2433","0.8","100","2","100","2","","","","","","","","6","P -1","-P 1","2","AESI-295","Compound-L2c-Rh","","- C26 H35 B F4 P Rh -","- C26 H35 B F4 P Rh -","- C104 H140 B4 F16 P4 Rh4 -","4","2","","Strom, Alexandra E.; Balcells, David; Hartwig, John F.","Synthetic and Computational Studies on the Rhodium-Catalyzed Hydroamination of Aminoalkenes","ACS Catalysis","2016","6","9","5651","","10.1021/acscatal.6b01320","","","0.71073","MoKα","","0.0289","0.0234","","","0.0527","0.0554","","","","","","1.035","","","","has coordinates","204147","2020-10-21","18:00:00",""
"4513925","10.1423","0.0004","10.3515","0.0004","12.0166","0.0005","91.342","0.002","100.981","0.001","115.42","0.001","1110.7","0.08","100","2","100","2","","","","","","","","6","P -1","-P 1","2","AESI-297","Compound-(L5)Rh","","- C22 H35 B F4 P Rh -","- C22 H35 B F4 P Rh -","- C44 H70 B2 F8 P2 Rh2 -","2","1","","Strom, Alexandra E.; Balcells, David; Hartwig, John F.","Synthetic and Computational Studies on the Rhodium-Catalyzed Hydroamination of Aminoalkenes","ACS Catalysis","2016","6","9","5651","","10.1021/acscatal.6b01320","","","0.71073","MoKα","","0.0214","0.0204","","","0.0512","0.052","","","","","","1.082","","","","has coordinates","204147","2020-10-21","18:00:00",""
"4513926","9.48","0.004","5.679","0.002","19.061","0.007","90","","100.77","0.009","90","","1008.1","0.7","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C21 H20 Cl N3 O4 -","- C21 H20 Cl N3 O4 -","- C42 H40 Cl2 N6 O8 -","2","1","","Yang, Wu-Lin; Li, Chun-Yan; Qin, Wen-Jing; Tang, Fei-Fei; Yu, Xingxin; Deng, Wei-Ping","Cu(I)-Catalyzed Chemoselective and Stereoselective [3 + 3] Cycloaddition of Azomethine Ylides with 2-Indolylnitroethylenes: Facile Access to Highly Substituted Tetrahydro-γ-Carbolines","ACS Catalysis","2016","6","9","5685","","10.1021/acscatal.6b01596","","","0.71073","MoKα","","0.1213","0.0855","","","0.2099","0.2354","","","","","","0.982","","","","has coordinates","186249","2020-10-21","18:00:00",""
"4513927","7.1807","0.0016","13.199","0.003","19.659","0.004","90","","90","","90","","1863.2","0.7","133","2","133","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C21 H20 Cl N3 O4 -","- C21 H20 Cl N3 O4 -","- C84 H80 Cl4 N12 O16 -","4","1","","Yang, Wu-Lin; Li, Chun-Yan; Qin, Wen-Jing; Tang, Fei-Fei; Yu, Xingxin; Deng, Wei-Ping","Cu(I)-Catalyzed Chemoselective and Stereoselective [3 + 3] Cycloaddition of Azomethine Ylides with 2-Indolylnitroethylenes: Facile Access to Highly Substituted Tetrahydro-γ-Carbolines","ACS Catalysis","2016","6","9","5685","","10.1021/acscatal.6b01596","","","0.71073","MoKα","","0.0408","0.0354","","","0.0851","0.0888","","","","","","1.025","","","","has coordinates","186249","2020-10-21","18:00:00",""
"4513928","8.6908","0.0004","10.3574","0.0004","13.9701","0.0006","90","","90","","90","","1257.51","0.09","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C17 H14 O2 -","- C17 H14 O2 -","- C68 H56 O8 -","4","1","","Janssen-Müller, Daniel; Fleige, Mirco; Schlüns, Danny; Wollenburg, Marco; Daniliuc, Constantin G.; Neugebauer, Johannes; Glorius, Frank","NHC-Catalyzed Enantioselective Dearomatizing Hydroacylation of Benzofurans and Benzothiophenes for the Synthesis of Spirocycles","ACS Catalysis","2016","6","9","5735","","10.1021/acscatal.6b01852","","","1.54178","CuKα","","0.037","0.0337","","","0.0797","0.0821","","","","","","1.071","","","","has coordinates","186246","2020-10-21","18:00:00",""
"4513929","12.401","0.006","14.396","0.006","15.709","0.009","116.697","0.013","98.59","0.03","94.41","0.02","2444","2","293","2","293","2","","","","","","","","8","P -1","-P 1","2","","","","- C108 H92 Au2 Cl2 N2 O9 P6 Pt -","- C108 H92 Au2 Cl2 N2 O9 P6 Pt -","- C108 H92 Au2 Cl2 N2 O9 P6 Pt -","1","0.5","","Xu, Liang-Jin; Zeng, Xian-Chong; Wang, Jin-Yun; Zhang, Li-Yi; Chi, Yun; Chen, Zhong-Ning","Phosphorescent PtAu2 Complexes with Differently Positioned Carbazole-Acetylide Ligands for Solution-Processed Organic Light-Emitting Diodes with External Quantum Efficiencies of over 20.","ACS applied materials & interfaces","2016","","","","","10.1021/acsami.6b06707","","","0.71073","MoKα","","0.1036","0.081","","","0.1257","0.1367","","","","","","1.162","","","","has coordinates,has disorder","184846","2020-10-21","18:00:00",""
"4513930","9.7885","0.0003","32.8507","0.0011","26.2822","0.0009","90","","93.385","0.002","90","","8436.5","0.5","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","MGL-8-090","","","- C39 H70 O2 P2 Pd2 -","- C39 H70 O2 P2 Pd2 -","- C312 H560 O16 P16 Pd16 -","8","2","","Lauer, Matthew G.; Headford, Benjamin R.; Gobble, Olivia M.; Weyhaupt, Michelle B.; Gerlach, Deidra L.; Zeller, Matthias; Shaughnessy, Kevin H.","A Trialkylphosphine-Derived Palladacycle as a Catalyst in the Selective Cross-Dimerization of Terminal Arylacetylenes with Terminal Propargyl Alcohols and Amides","ACS Catalysis","2016","6","9","5834","","10.1021/acscatal.6b01541","","","0.71073","MoKα","","0.0306","0.0251","","","0.0541","0.0563","","","","","","1.074","","","","has coordinates,has disorder","186250","2020-10-21","18:00:00",""
"4513931","17.0431","0.0006","25.6881","0.0009","10.2924","0.0003","90","","90.01","0.001","90","","4506.1","0.3","128","2","128","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C13 H24 N2 O3 -","- C13 H24 N2 O3 -","- C156 H288 N24 O36 -","12","3","","Kim, Hyunwoo; Park, Gyeongtae; Park, Juhyeon; Chang, Sukbok","A Facile Access to Primary Alkylamines and Anilines via Ir(III)-Catalyzed C‒H Amidation Using Azidoformates","ACS Catalysis","2016","","","5922","","10.1021/acscatal.6b01869","","","0.71073","MoKα","","0.1088","0.0673","","","0.143","0.163","","","","","","1.013","","","","has coordinates","185685","2020-10-21","18:00:00",""
"4513932","13.8177","0.0016","16.467","0.002","14.0445","0.0017","90","","109.613","0.0017","90","","3010.2","0.6","103","2","103","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C28 H32 F6 N2 O3 Rh S Sb -","- C28 H32 F6 N2 O3 Rh S Sb -","- C112 H128 F24 N8 O12 Rh4 S4 Sb4 -","4","1","","Hu, Xu-Hong; Yang, Xiao-Fei; Loh, Teck-Peng","Chelation-Assisted Rhodium-Catalyzed Direct Amidation with Amidobenziodoxolones: C(sp2)‒H, C(sp3)‒H, and Late-Stage Functionalizations","ACS Catalysis","2016","6","9","5930","","10.1021/acscatal.6b02015","","","0.71073","MoKα","","0.0613","0.0421","","","0.0889","0.0977","","","","","","1.068","","","","has coordinates","186247","2020-10-21","18:00:00",""
"4513933","9.8739","0.001","10.6233","0.0011","13.8412","0.0013","86.937","0.003","77.911","0.003","89.004","0.003","1417.6","0.2","103","2","103","2","","","","","","","","6","P 1","P 1","1","","","","- C28 H24 Cl3 N3 O7 S -","- C28 H24 Cl3 N3 O7 S -","- C56 H48 Cl6 N6 O14 S2 -","2","2","","Hu, Xu-Hong; Yang, Xiao-Fei; Loh, Teck-Peng","Chelation-Assisted Rhodium-Catalyzed Direct Amidation with Amidobenziodoxolones: C(sp2)‒H, C(sp3)‒H, and Late-Stage Functionalizations","ACS Catalysis","2016","6","9","5930","","10.1021/acscatal.6b02015","","","0.71073","MoKα","","0.1217","0.071","","","0.1508","0.1851","","","","","","1.032","","","","has coordinates","186247","2020-10-21","18:00:00",""
"4513934","17.653","0.004","12.7","0.003","9.4888","0.0019","90","","93.31","0.03","90","","2123.8","0.8","173","2","173","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H18 N2 O4 S2 -","- C22 H18 N2 O4 S2 -","- C88 H72 N8 O16 S8 -","4","1","","Pan, Fei; Li, Xin-Ling; Chen, Xiu-Mei; Shu, Chao; Ruan, Peng-Peng; Shen, Cang-Hai; Lu, Xin; Ye, Long-Wu","Catalytic Ynamide Oxidation Strategy for the Preparation of α-Functionalized Amides","ACS Catalysis","2016","6","9","6055","","10.1021/acscatal.6b01599","","","0.71073","MoKα","","0.165","0.0873","","","0.2359","0.3512","","","","","","1.048","","","","has coordinates","186244","2020-10-21","18:00:00",""
"4513935","9.2103","0.0004","9.7574","0.0004","14.5275","0.0006","75.23","0.001","88.275","0.001","69.461","0.001","1179.64","0.09","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C29 H25 N O5 -","- C29 H25 N O5 -","- C58 H50 N2 O10 -","2","1","","Jiang, Liqin; Jin, Weifeng; Hu, Wenhao","Double C‒H Functionalization of Indoles via Three-Component Reactions/CuCl2-Catalyzed Aerobic Dehydrogenative Coupling for the Synthesis of Polyfunctional Cyclopenta[b]indoles","ACS Catalysis","2016","6","9","6146","","10.1021/acscatal.6b01946","","","0.71073","MoKα","","0.0774","0.0492","","","0.1238","0.1472","","","","","","1.019","","","","has coordinates","186245","2020-10-21","18:00:00",""
"4513936","8.0059","0.0011","12.7607","0.0017","18.742","0.003","90","","90","","90","","1914.7","0.5","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C20 H20 I2 N2 -","- C20 H20 I2 N2 -","- C80 H80 I8 N8 -","4","1","","Yu, Xiao-Long; Kuang, Liping; Chen, Su; Zhu, Xiao-Long; Li, Zhong-Liang; Tan, Bin; Liu, Xin-Yuan","Counteranion-Controlled Unprecedented Diastereo- and Enantioselective Tandem Formal Povarov Reaction for Construction of Bioactive Octahydro-Dipyrroloquinolines","ACS Catalysis","2016","","","6182","","10.1021/acscatal.6b01492","","","0.71073","MoKα","","0.0347","0.0293","","","0.0723","0.0755","","","","","","1.023","","","","has coordinates","185871","2020-10-21","18:00:00",""
"4513937","13.378","0.001","9.446","0.0007","15.071","0.0011","90","","99.42","0.002","90","","1878.8","0.2","296","2","296","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C25 H18 O3 -","- C25 H18 O3 -","- C100 H72 O12 -","4","1","","Dong, Haoxun; Xu, Lubin; Li, Shuai-Shuai; Wang, Liang; Shao, Chang-Lun; Xiao, Jian","Facile Synthesis of Azaarene-Substituted Hydroxycoumarins Possessing High Biological Activities via Three-Component C(sp(3))-H Functionalization.","ACS combinatorial science","2016","18","9","604","610","10.1021/acscombsci.6b00082","","","1.54178","CuKα","","0.0443","0.0425","","","0.1154","0.1174","","","","","","1.026","","","","has coordinates","186954","2020-10-21","18:00:00",""
"4513938","9.842","0.0019","11.556","0.002","9.8592","0.0019","90","","97.807","0.003","90","","1110.9","0.4","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C25 H31 Cl O2 -","- C25 H31 Cl O2 -","- C50 H62 Cl2 O4 -","2","1","","Ma, Chao; Huang, Yuan; Zhao, Yu","Stereoselective 1,6-Conjugate Addition/Annulation ofpara-Quinone Methides with Vinyl Epoxides/Cyclopropanes","ACS Catalysis","2016","6","10","6408","","10.1021/acscatal.6b01845","","","0.71073","MoKα","","0.0338","0.0326","","","0.082","0.0828","","","","","","1.046","","","","has coordinates","187878","2020-10-21","18:00:00",""
"4513939","10.9646","0.0006","16.3287","0.0009","11.9006","0.0007","90","","110.493","0.002","90","","1995.8","0.2","102","2","102","2","","","","","","","","7","P 1 21 1","P 2yb","4","[Fe(MeCN)2(1b)](BF4)2 (8b)","","","- C39 H46 B2 F8 Fe N4 P2 -","- C39 H46 B2 F8 Fe N4 P2 -","- C78 H92 B4 F16 Fe2 N8 P4 -","2","1","","Bigler, Raphael; Huber, Raffael; Stöckli, Marco; Mezzetti, Antonio","Iron(II)/(NH)2P2Macrocycles: Modular, Highly Enantioselective Transfer Hydrogenation Catalysts","ACS Catalysis","2016","6","10","6455","","10.1021/acscatal.6b01872","","","0.71073","MoKα","","0.0743","0.0527","","","0.1166","0.1272","","","","","","1.022","","","","has coordinates,has disorder","187879","2020-10-21","18:00:00",""
"4513940","10.4939","0.001","10.7859","0.001","13.5065","0.0013","101.154","0.003","92.256","0.003","102.353","0.003","1459.9","0.2","103","2","103","2","","","","","","","","8","P 1","P 1","1","[Fe(CNAd)2(1b)](BF4)2, 2 CH2Cl2 (3c)","","","- C59 H74 B2 Cl4 F8 Fe N4 P2 -","- C59 H70 B2 Cl4 F8 Fe N4 P2 -","- C59 H70 B2 Cl4 F8 Fe N4 P2 -","1","1","","Bigler, Raphael; Huber, Raffael; Stöckli, Marco; Mezzetti, Antonio","Iron(II)/(NH)2P2Macrocycles: Modular, Highly Enantioselective Transfer Hydrogenation Catalysts","ACS Catalysis","2016","6","10","6455","","10.1021/acscatal.6b01872","","","0.71073","MoKα","","0.0694","0.0528","","","0.1213","0.1304","","","","","","1.018","","","","has coordinates,has disorder","187879","2020-10-21","18:00:00",""
"4513941","17.3254","0.0013","30.92","0.003","23.005","0.002","90","","90.359","0.003","90","","12323.6","1.9","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C65.5 H33.5 Co F10 N6.5 O1.71 -","- C65.5 H33.5 Co F10 N6.5 O1.706 -","- C524 H268 Co8 F80 N52 O13.648 -","8","2","","Lei, Haitao; Liu, Chengyu; Wang, Zhaojun; Zhang, Zongyao; Zhang, Meining; Chang, Xingmao; Zhang, Wei; Cao, Rui","Noncovalent Immobilization of a Pyrene-Modified Cobalt Corrole on Carbon Supports for Enhanced Electrocatalytic Oxygen Reduction and Oxygen Evolution in Aqueous Solutions","ACS Catalysis","2016","6","10","6429","","10.1021/acscatal.6b01579","","","0.71073","MoKα","","0.1926","0.1315","","","0.3704","0.4059","","","","","","1.459","","","","has coordinates,has disorder","187884","2020-10-21","18:00:00",""
"4513942","8.4122","0.0004","11.7102","0.0005","14.7141","0.0006","90","","103.893","0.004","90","","1407.06","0.11","296","","296","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C22 H32 Au F6 N4 Sb -","- C22 H32 Au F6 N4 Sb -","- C44 H64 Au2 F12 N8 Sb2 -","2","0.5","","Bartolomé, Camino; Ramiro, Zoraida; Peñas-Defrutos, Marconi N.; Espinet, Pablo","Some Singular Features of Gold Catalysis: Protection of Gold(I) Catalysts by Substoichiometric Agents and Associated Phenomena","ACS Catalysis","2016","6","10","6537","","10.1021/acscatal.6b01825","","x-ray","0.71073","MoKα","","0.0534","0.0319","","","0.0739","0.0877","","","","","","1.031","","","","has coordinates","187883","2020-10-21","18:00:00",""
"4513943","10.6797","0.0004","38.6444","0.0013","25.5186","0.001","90","","94.5702","0.0018","90","","10498.3","0.7","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C55 H51 B2 F20 N O Zr -","- C55 H51 B2 F20 N O Zr -","- C440 H408 B16 F160 N8 O8 Zr8 -","8","2","","Metters, Owen J.; Flynn, Stephanie R.; Dowds, Christiana K.; Sparkes, Hazel A.; Manners, Ian; Wass, Duncan F.","Catalytic Dehydrocoupling of Amine‒Boranes using Cationic Zirconium(IV)‒Phosphine Frustrated Lewis Pairs","ACS Catalysis","2016","6","10","6601","","10.1021/acscatal.6b02211","","","0.71073","MoKα","","0.1218","0.0492","","","0.0867","0.1109","","","","","","0.994","","","","has coordinates","187881","2020-10-21","18:00:00",""
"4513944","10.8416","0.0002","16.5385","0.0003","18.9008","0.0003","68.2519","0.0009","74.0118","0.001","72.1388","0.001","2945.45","0.09","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C62 H61.5 B2 Cl0.5 F20 N O Zr -","- C62 H61.5 B2 Cl0.5 F20 N O Zr -","- C124 H123 B4 Cl F40 N2 O2 Zr2 -","2","1","","Metters, Owen J.; Flynn, Stephanie R.; Dowds, Christiana K.; Sparkes, Hazel A.; Manners, Ian; Wass, Duncan F.","Catalytic Dehydrocoupling of Amine‒Boranes using Cationic Zirconium(IV)‒Phosphine Frustrated Lewis Pairs","ACS Catalysis","2016","6","10","6601","","10.1021/acscatal.6b02211","","","0.71073","MoKα","","0.0439","0.0362","","","0.0877","0.0925","","","","","","1.028","","","","has coordinates,has disorder","187881","2020-10-21","18:00:00",""
"4513945","17.1305","0.0006","10.7085","0.0004","29.9187","0.001","90","","90","","90","","5488.3","0.3","100","","100","","","","","","","","","7","P c a 21","P 2c -2ac","29","","","","- C60 H51 B F20 N2 O Zr -","- C60 H51 B F20 N2 O Zr -","- C240 H204 B4 F80 N8 O4 Zr4 -","4","1","","Metters, Owen J.; Flynn, Stephanie R.; Dowds, Christiana K.; Sparkes, Hazel A.; Manners, Ian; Wass, Duncan F.","Catalytic Dehydrocoupling of Amine‒Boranes using Cationic Zirconium(IV)‒Phosphine Frustrated Lewis Pairs","ACS Catalysis","2016","6","10","6601","","10.1021/acscatal.6b02211","","","0.71073","MoKα","","0.0517","0.0371","","","0.0744","0.08","","","","","","1.018","","","","has coordinates","187881","2020-10-21","18:00:00",""
"4513946","9.419","0.0008","8.8409","0.0005","11.6624","0.0011","90","","112.966","0.01","90","","894.18","0.14","293","2","293.15","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C20 H25 N O2 -","- C20 H25 N O2 -","- C40 H50 N2 O4 -","2","1","","Zhang, Heyi; Lu, Zhan","Dual-Stereocontrol Asymmetric Cobalt-Catalyzed Hydroboration of Sterically Hindered Styrenes","ACS Catalysis","2016","6","10","6596","","10.1021/acscatal.6b02278","","","1.54184","CuKα","","0.0596","0.0479","","","0.1239","0.1407","","","","","","1.039","","","","has coordinates","187887","2020-10-21","18:00:00",""
"4513947","8.7563","0.0006","18.1246","0.0015","18.7984","0.0016","90","","90","","90","","2983.4","0.4","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","compound29","compound29","","- C30 H38 Cl N3 O4 S2 -","- C30 H38 Cl N3 O4 S2 -","- C120 H152 Cl4 N12 O16 S8 -","4","1","","Purkey, Hans E.; Robarge, Kirk; Chen, Jinhua; Chen, Zhongguo; Corson, Laura B.; Ding, Charles Z.; DiPasquale, Antonio G.; Dragovich, Peter S.; Eigenbrot, Charles; Evangelista, Marie; Fauber, Benjamin P.; Gao, Zhenting; Ge, Hongxiu; Hitz, Anna; Ho, Qunh; Labadie, Sharada S.; Lai, Kwong Wah; Liu, Wenfeng; Liu, Yajing; Li, Chiho; Ma, Shuguang; Malek, Shiva; O'Brien, Thomas; Pang, Jodie; Peterson, David; Salphati, Laurent; Sideris, Steve; Ultsch, Mark; Wei, BinQing; Yen, Ivana; Yue, Qin; Zhang, Huihui; Zhou, Aihe","Cell Active Hydroxylactam Inhibitors of Human Lactate Dehydrogenase with Oral Bioavailability in Mice.","ACS medicinal chemistry letters","2016","7","10","896","901","10.1021/acsmedchemlett.6b00190","","","0.71073","MoKα","","0.0473","0.0411","","","0.0934","0.0965","","","","","","1.061","","","","has coordinates","204147","2020-10-21","18:00:00",""
"4513948","12.3061","0.001","12.6455","0.001","13.1675","0.001","78.8847","0.0012","71.0045","0.0012","87.4156","0.0012","1900.8","0.3","100","2","100","2","","","","","","","","7","P -1","-P 1","2","Zhiyao042215","","","- C25 H38 B3 Cl2 I N12 Ni2 -","- C25 H38 B3 Cl2 I N12 Ni2 -","- C50 H76 B6 Cl4 I2 N24 Ni4 -","2","1","","Lu, Zhiyao; Williams, Travis J.","Di(carbene)-Supported Nickel Systems for CO2Reduction Under Ambient Conditions","ACS Catalysis","2016","6","10","6670","","10.1021/acscatal.6b02101","","","0.71073","MoKα","","0.0328","0.0244","","","0.0555","0.0584","","","","","","1.032","","","","has coordinates,has disorder","187880","2020-10-21","18:00:00",""
"4513949","22.9867","0.0014","8.2956","0.0005","32.6131","0.0019","90","","109.922","0.001","90","","5846.8","0.6","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C59 H68 Cl2 N8 Ni3 O4 -","- C59 H68 Cl2 N8 Ni3 O4 -","- C236 H272 Cl8 N32 Ni12 O16 -","4","1","","Lu, Zhiyao; Williams, Travis J.","Di(carbene)-Supported Nickel Systems for CO2Reduction Under Ambient Conditions","ACS Catalysis","2016","6","10","6670","","10.1021/acscatal.6b02101","","","0.71073","MoKα","","0.0783","0.0486","","","0.1171","0.1316","","","","","","1.03","","","","has coordinates","187880","2020-10-21","18:00:00",""
"4513950","8.2687","0.0007","19.3361","0.0015","8.7596","0.0007","90","","115.029","0.001","90","","1269.01","0.18","100","2","100","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C24 H30 B I N4 -","- C24 H30 B I N4 -","- C48 H60 B2 I2 N8 -","2","0.5","","Lu, Zhiyao; Williams, Travis J.","Di(carbene)-Supported Nickel Systems for CO2Reduction Under Ambient Conditions","ACS Catalysis","2016","6","10","6670","","10.1021/acscatal.6b02101","","","0.71073","MoKα","","0.0395","0.0351","","","0.0777","0.0789","","","","","","1.288","","","","has coordinates","187880","2020-10-21","18:00:00",""
"4513951","9.586","0.004","12.006","0.005","18.204","0.009","90","","96.216","0.011","90","","2082.8","1.6","296","2","296","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C40 H55 Cl N4 Ni O0 -","- C40 H55 Cl N4 Ni -","- C80 H110 Cl2 N8 Ni2 -","2","1","","Pu, Xinghui; Hu, Jiefeng; Zhao, Yue; Shi, Zhuangzhi","Nickel-Catalyzed Decarbonylative Borylation and Silylation of Esters","ACS Catalysis","2016","6","10","6692","","10.1021/acscatal.6b01956","","","0.71073","MoKα","","0.0865","0.0676","","","0.1662","0.1771","","","","","","1.002","","","","has coordinates,has disorder","187882","2020-10-21","18:00:00",""
"4513952","12.7494","0.0012","28.039","0.003","11.5771","0.0011","90","","90","","90","","4138.6","0.7","296","2","296","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C42 H57 Cl3 N4 Ni O -","- C42 H57 Cl3 N4 Ni O -","- C168 H228 Cl12 N16 Ni4 O4 -","4","1","","Pu, Xinghui; Hu, Jiefeng; Zhao, Yue; Shi, Zhuangzhi","Nickel-Catalyzed Decarbonylative Borylation and Silylation of Esters","ACS Catalysis","2016","6","10","6692","","10.1021/acscatal.6b01956","","","0.71073","MoKα","","0.0653","0.0522","","","0.1218","0.1277","","","","","","1.045","","","","has coordinates","187882","2020-10-21","18:00:00",""
"4513953","45.941","0.003","8.7162","0.0006","14.6019","0.001","90","","102.274","0.001","90","","5713.4","0.7","296","2","296.15","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C24 H55 Cl P2 Pd -","- C24 H55 Cl P2 Pd -","- C192 H440 Cl8 P16 Pd8 -","8","1","","Hu, Yue; Shen, Zhiqiang; Huang, Hanmin","Palladium-Catalyzed Intramolecular Hydroaminocarbonylation to Lactams: Additive-Free Protocol Initiated by Palladium Hydride","ACS Catalysis","2016","6","10","6785","","10.1021/acscatal.6b01939","","","0.71073","MoKα","","0.0425","0.0296","","","0.0727","0.0819","","","","","","1.02","","","","has coordinates,has disorder","187885","2020-10-21","18:00:00",""
"4513954","4.5967","0.0006","12.2704","0.0016","15.393","0.002","90","","94.473","0.002","90","","865.6","0.2","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C10 H8 N O2 -","- C10 H8 N O2 -","- C40 H32 N4 O8 -","4","1","","Hu, Yue; Shen, Zhiqiang; Huang, Hanmin","Palladium-Catalyzed Intramolecular Hydroaminocarbonylation to Lactams: Additive-Free Protocol Initiated by Palladium Hydride","ACS Catalysis","2016","6","10","6785","","10.1021/acscatal.6b01939","","","0.71073","MoKα","","0.0554","0.0493","","","0.1348","0.1412","","","","","","0.984","","","","has coordinates","187885","2020-10-21","18:00:00",""
"4513955","4.6759","0.0016","11.637","0.004","12.148","0.004","101.704","0.006","94.481","0.006","97.981","0.006","637.1","0.4","296","2","296","2","","","","","","","","4","P 1","P 1","1","","","","- C16 H15 N O -","- C16 H15 N O -","- C32 H30 N2 O2 -","2","2","","Hu, Yue; Shen, Zhiqiang; Huang, Hanmin","Palladium-Catalyzed Intramolecular Hydroaminocarbonylation to Lactams: Additive-Free Protocol Initiated by Palladium Hydride","ACS Catalysis","2016","6","10","6785","","10.1021/acscatal.6b01939","","","0.71073","MoKα","","0.0825","0.0559","","","0.1317","0.152","","","","","","1.005","","","","has coordinates","187885","2020-10-21","18:00:00",""
"4513956","14.349","0.01","9.776","0.007","16.959","0.013","90","","108.332","0.009","90","","2258","3","90","2","90","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C25 H24 Br O2 P -","- C25 H24 Br O2 P -","- C100 H96 Br4 O8 P4 -","4","1","","Toda, Yasunori; Komiyama, Yutaka; Kikuchi, Ayaka; Suga, Hiroyuki","Tetraarylphosphonium Salt-Catalyzed Carbon Dioxide Fixation at Atmospheric Pressure for the Synthesis of Cyclic Carbonates","ACS Catalysis","2016","6","10","6906","","10.1021/acscatal.6b02265","","","0.71073","MoKα","","0.0666","0.0411","","","0.103","0.1097","","","","","","0.907","","","","has coordinates","187877","2020-10-21","18:00:00",""
"4513957","11.3607","0.0007","30.338","0.002","8.2619","0.0006","90","","102.399","0.004","90","","2781.1","0.3","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H31 Cl2 N5 O2 -","- C24 H31 Cl2 N5 O2 -","- C96 H124 Cl8 N20 O8 -","4","1","","Londregan, Allyn T.; Piotrowski, David W.; Wei, Liuqing","Synthesis of Pyridazine-Based α-Helix Mimetics.","ACS combinatorial science","2016","18","10","651","654","10.1021/acscombsci.6b00111","","","1.54178","CuKα","","0.0616","0.0556","","","0.1427","0.1468","","","","","","0.969","","","","has coordinates","187889","2020-10-21","18:00:00",""
"4513958","8.8773","0.0008","7.1193","0.0004","14.0576","0.0011","90","","103.929","0.008","90","","862.32","0.12","295","2","295.15","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C16 H15 Br O4 S -","- C16 H15 Br O4 S -","- C32 H30 Br2 O8 S2 -","2","1","","Tan, Fei; Liu, Xiaohua; Hao, Xiaoyu; Tang, Yu; Lin, Lili; Feng, Xiaoming","Asymmetric Catalytic Insertion of α-Diazo Carbonyl Compounds into O‒H Bonds of Carboxylic Acids","ACS Catalysis","2016","","","6930","","10.1021/acscatal.6b02184","","x-ray","0.71073","MoKα","","0.0584","0.0406","","","0.065","0.072","","","","","","1.001","","","","has coordinates","186660","2020-10-21","18:00:00",""
"4513959","14.8222","0.0008","13.9414","0.0007","11.4583","0.0005","90","","108.559","0.002","90","","2244.64","0.19","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H28 N4 O2 S -","- C24 H28 N4 O2 S -","- C96 H112 N16 O8 S4 -","4","1","","Chen, Chan-Yu; Barve, Indrajeet J.; Sun, Chung-Ming","One-Pot Three-Component Synthesis of 2-Imino-1,3-Thiazolines on Soluble Ionic Liquid Support.","ACS combinatorial science","2016","18","10","638","643","10.1021/acscombsci.6b00106","","","0.71073","MoKα","","0.0599","0.0471","","","0.1296","0.1433","","","","","","1.07","","","","has coordinates","187888","2020-10-21","18:00:00",""
"4513960","9.45565","0.00011","18.07717","0.0002","13.18336","0.00016","90","","103.903","0.0012","90","","2187.43","0.05","180","0.14","180","0.14","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C11 H13 N O3 S -","- C11 H13 N O3 S -","- C88 H104 N8 O24 S8 -","8","2","","Bizet, Vincent; Borrajo-Calleja, Gustavo M.; Besnard, Céline; Mazet, Clément","Direct Access to Furoindolines by Palladium-Catalyzed Intermolecular Carboamination","ACS Catalysis","2016","6","10","7183","","10.1021/acscatal.6b02238","","x-ray","1.5418","CuKα","","0.0404","0.0361","","","0.093","0.0974","","","","","","1.051","","","","has coordinates","187886","2020-10-21","18:00:00",""
"4513961","11.81121","0.0001","8.41417","0.00006","16.5698","0.00018","90","","90.8215","0.0008","90","","1646.56","0.03","180","3","180","3","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C17 H18 N2 O4 S -","- C17 H18 N2 O4 S -","- C68 H72 N8 O16 S4 -","4","1","","Bizet, Vincent; Borrajo-Calleja, Gustavo M.; Besnard, Céline; Mazet, Clément","Direct Access to Furoindolines by Palladium-Catalyzed Intermolecular Carboamination","ACS Catalysis","2016","6","10","7183","","10.1021/acscatal.6b02238","","x-ray","1.54184","CuKα","","0.0317","0.031","","","0.0814","0.082","","","","","","1.022","","","","has coordinates","187886","2020-10-21","18:00:00",""
"4513962","10.28582","0.00014","9.52978","0.00012","16.564","0.0002","90","","90.4024","0.0012","90","","1623.59","0.04","180.2","0.7","180.2","0.7","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H17 N O4 S -","- C19 H17 N O4 S -","- C76 H68 N4 O16 S4 -","4","1","","Bizet, Vincent; Borrajo-Calleja, Gustavo M.; Besnard, Céline; Mazet, Clément","Direct Access to Furoindolines by Palladium-Catalyzed Intermolecular Carboamination","ACS Catalysis","2016","6","10","7183","","10.1021/acscatal.6b02238","","x-ray","1.54184","CuKα","","0.0361","0.0333","","","0.089","0.0914","","","","","","1.029","","","","has coordinates","187886","2020-10-21","18:00:00",""
"4513963","5.45149","0.00006","15.7094","0.00012","38.6948","0.0003","90","","90","","90","","3313.81","0.05","180","0.14","180","0.14","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C18 H19 N O4 S -","- C18 H19 N O4 S -","- C144 H152 N8 O32 S8 -","8","2","","Bizet, Vincent; Borrajo-Calleja, Gustavo M.; Besnard, Céline; Mazet, Clément","Direct Access to Furoindolines by Palladium-Catalyzed Intermolecular Carboamination","ACS Catalysis","2016","6","10","7183","","10.1021/acscatal.6b02238","","x-ray","1.54184","CuKα","","0.0348","0.0327","","","0.0789","0.0798","","","","","","1.065","","","","has coordinates","187886","2020-10-21","18:00:00",""
"4513964","10.2706","0.0006","10.4147","0.0006","11.7961","0.0012","101.167","0.005","98.645","0.005","119.207","0.003","1035.4","0.15","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C40 H32 N12 O18 -","- C40 H32 N12 O18 -","- C40 H32 N12 O18 -","1","0.5","","Kalita, Anamika; Hussain, Sameer; Malik, Akhtar Hussain; Barman, Ujjwol; Goswami, Namami; Iyer, Parameswar Krishnan","Anion-Exchange Induced Strong π-π Interactions in Single Crystalline Naphthalene Diimide for Nitroexplosive Sensing: An Electronic Prototype for Visual on-Site Detection.","ACS applied materials & interfaces","2016","8","38","25326","25336","10.1021/acsami.6b08751","","","0.71073","MoKα","","0.1776","0.0745","","","0.198","0.2414","","","","","","1.118","","","","has coordinates","186880","2020-10-21","18:00:00",""
"4513965","8.0011","0.0006","13.7926","0.001","13.685","0.001","90","","103.864","0.005","90","","1466.22","0.19","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H28 I2 N6 O4 -","- C28 H28 I2 N6 O4 -","- C56 H56 I4 N12 O8 -","2","0.5","","Kalita, Anamika; Hussain, Sameer; Malik, Akhtar Hussain; Barman, Ujjwol; Goswami, Namami; Iyer, Parameswar Krishnan","Anion-Exchange Induced Strong π-π Interactions in Single Crystalline Naphthalene Diimide for Nitroexplosive Sensing: An Electronic Prototype for Visual on-Site Detection.","ACS applied materials & interfaces","2016","8","38","25326","25336","10.1021/acsami.6b08751","","","0.71073","MoKα","","0.1042","0.0398","","","0.0721","0.0789","","","","","","0.883","","","","has coordinates","186881","2020-10-21","18:00:00",""
"4513966","22.0484","0.0002","22.0484","0.0002","22.0484","0.0002","90","","90","","90","","10718.4","0.17","100","2","100","2","","","","","","","","7","P n -3 m :2","-P 4bc 2bc 3","224","","","","- C26 H20 Cu4 In N5 O8 S4 -","- C24 H12 Cu4 In N4 O8 S4 -","- C144 H72 Cu24 In6 N24 O48 S24 -","6","0.125","","Han, Yi; Zheng, Hao; Liu, Kang; Wang, Hongli; Huang, Hongliang; Xie, Lin-Hua; Wang, Lei; Li, Jian-Rong","In-Situ Ligand Formation-Driven Preparation of a Heterometallic Metal-Organic Framework for Highly Selective Separation of Light Hydrocarbons and Efficient Mercury Adsorption.","ACS applied materials & interfaces","2016","8","35","23331","23337","10.1021/acsami.6b08397","","","1.54178","CuKα","","0.0639","0.0558","","","0.1463","0.1576","","","","","","0.979","","","","has coordinates","186882","2020-10-21","18:00:00",""
"4513967","25.4511","0.0017","14.4307","0.0009","18.9787","0.0012","90","","90","","90","","6970.4","0.8","193","2","193","2","","","","","","","","8","P n a 21","P 2c -2n","33","","","","- C61.75 H82.75 Au3 B Cl5.25 F4 O P3 -","- C61.75 H82.75 Au3 B Cl5.25 F4 O P3 -","- C247 H331 Au12 B4 Cl21 F16 O4 P12 -","4","1","","Zhu, Yuyang; Zhou, Wentong; Petryna, Ellen M.; Rogers, Brock R.; Day, Cynthia S.; Jones, Amanda C.","Insights into Alkene Activation by Gold: Nucleophile Activation with Base as a Trigger for Generation of Lewis Acidic Gold","ACS Catalysis","2016","","","7357","","10.1021/acscatal.6b01674","","","0.71073","MoKα","","0.0415","0.0349","","","0.0841","0.0877","","","","","","1.043","","","","has coordinates,has disorder","186907","2020-10-21","18:00:00",""
"4513968","9.1823","0.0004","9.5417","0.0006","26.1911","0.0013","90.453","0.001","90.84","0.001","114.659","0.001","2084.99","0.19","193","2","193","2","","","","","","","","6","P -1","-P 1","2","","","","- C45 H55 Au Cl2 N2 O -","- C45 H55 Au Cl2 N2 O -","- C90 H110 Au2 Cl4 N4 O2 -","2","1","","Zhu, Yuyang; Zhou, Wentong; Petryna, Ellen M.; Rogers, Brock R.; Day, Cynthia S.; Jones, Amanda C.","Insights into Alkene Activation by Gold: Nucleophile Activation with Base as a Trigger for Generation of Lewis Acidic Gold","ACS Catalysis","2016","","","7357","","10.1021/acscatal.6b01674","","","0.71073","MoKα","","0.0323","0.0299","","","0.0716","0.0726","","","","","","1.167","","","","has coordinates,has disorder","186907","2020-10-21","18:00:00",""
"4513969","16.333","0.002","8.8197","0.0011","19.533","0.002","90","","90.342","0.001","90","","2813.7","0.6","193","2","193","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C35 H32 Au O P -","- C35 H32 Au O P -","- C140 H128 Au4 O4 P4 -","4","1","","Zhu, Yuyang; Zhou, Wentong; Petryna, Ellen M.; Rogers, Brock R.; Day, Cynthia S.; Jones, Amanda C.","Insights into Alkene Activation by Gold: Nucleophile Activation with Base as a Trigger for Generation of Lewis Acidic Gold","ACS Catalysis","2016","","","7357","","10.1021/acscatal.6b01674","","","0.71073","MoKα","","0.0656","0.0367","","","0.0658","0.0739","","","","","","0.963","","","","has coordinates,has disorder","186907","2020-10-21","18:00:00",""
"4513970","34.388","0.002","34.853","0.002","13.3846","0.0007","90","","90","","90","","16041.8","1.6","123","2","123","2","","","","","","","","6","P 2 2 21","P 2c 2","17","","","","- C84 H84 Cd2 N4 O16 V2 -","- C84 H84 Cd2 N4 O16 V2 -","- C336 H336 Cd8 N16 O64 V8 -","4","1","","Zhu, Chengfeng; Xia, Qingchun; Chen, Xu; Liu, Yan; Du, Xia; Cui, Yong","Chiral Metal‒Organic Framework as a Platform for Cooperative Catalysis in Asymmetric Cyanosilylation of Aldehydes","ACS Catalysis","2016","6","11","7590","","10.1021/acscatal.6b02359","","","1.54178","CuKα","","0.1238","0.0984","","","0.2644","0.2805","","","","","","1.074","","","","has coordinates","188905","2020-10-21","18:00:00",""
"4513971","33.9506","0.0014","35.3214","0.0012","13.4377","0.0005","90","","90","","90","","16114.3","1","123","2","123","2","","","","","","","","7","P 2 2 21","P 2c 2","17","","","","- C84 H84 Cd2 Cu N4 O16 V -","- C84 H84 Cd2 Cu N4 O16 V -","- C336 H336 Cd8 Cu4 N16 O64 V4 -","4","1","","Zhu, Chengfeng; Xia, Qingchun; Chen, Xu; Liu, Yan; Du, Xia; Cui, Yong","Chiral Metal‒Organic Framework as a Platform for Cooperative Catalysis in Asymmetric Cyanosilylation of Aldehydes","ACS Catalysis","2016","6","11","7590","","10.1021/acscatal.6b02359","","","1.54178","CuKα","","0.1264","0.0978","","","0.2471","0.2666","","","","","","1.076","","","","has coordinates","188905","2020-10-21","18:00:00",""
"4513972","6.0503","0.0007","14.698","0.002","18.444","0.003","90","","90","","90","","1640.2","0.4","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C22 H16 Cl N -","- C22 H16 Cl N -","- C88 H64 Cl4 N4 -","4","1","","Kim, Ju Hyun; Greßies, Steffen; Boultadakis-Arapinis, Mélissa; Daniliuc, Constantin; Glorius, Frank","Rh(I)/NHC*-Catalyzed Site- and Enantioselective Functionalization of C(sp3)‒H Bonds Toward Chiral Triarylmethanes","ACS Catalysis","2016","6","11","7652","","10.1021/acscatal.6b02392","","","1.54178","CuKα","","0.0557","0.0446","","","0.1024","0.1111","","","","","","0.977","","","","has coordinates","188904","2020-10-21","18:00:00",""
"4513973","5.7336","0.0001","16.8181","0.0005","17.4381","0.0006","90","","90","","90","","1681.53","0.08","223","2","223","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C23 H19 N O -","- C23 H19 N O -","- C92 H76 N4 O4 -","4","1","","Kim, Ju Hyun; Greßies, Steffen; Boultadakis-Arapinis, Mélissa; Daniliuc, Constantin; Glorius, Frank","Rh(I)/NHC*-Catalyzed Site- and Enantioselective Functionalization of C(sp3)‒H Bonds Toward Chiral Triarylmethanes","ACS Catalysis","2016","6","11","7652","","10.1021/acscatal.6b02392","","","0.71073","MoKα","","0.0836","0.0638","","","0.1159","0.1269","","","","","","1.152","","","","has coordinates","188904","2020-10-21","18:00:00",""
"4513974","11.0213","0.0018","23.615","0.004","16.094","0.003","90","","105.537","0.002","90","","4035.7","1.2","103","2","103","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C45 H37 Cl O P2 Pd -","- C45 H37 Cl O P2 Pd -","- C180 H148 Cl4 O4 P8 Pd4 -","4","1","","Chatterjee, Anamitra; Hopen Eliasson, Sondre H.; Törnroos, Karl W.; Jensen, Vidar R.","Palladium Precatalysts for Decarbonylative Dehydration of Fatty Acids to Linear Alpha Olefins","ACS Catalysis","2016","6","11","7784","","10.1021/acscatal.6b02460","","","0.71073","MoKα","","0.0569","0.0421","","","0.0981","0.1045","","","","","","1.068","","","","has coordinates","188906","2020-10-21","18:00:00",""
"4513975","9.6991","0.0008","9.587","0.0007","13.7942","0.0013","90","","105.113","0.009","90","","1238.29","0.19","293","","293","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C11 H13 Br O2 S -","- C11 H13 Br O2 S -","- C44 H52 Br4 O8 S4 -","4","2","","Zhou, Pengfei; Cai, Yunfei; Zhong, Xia; Luo, Weiwei; Kang, Tengfei; Li, Jun; Liu, Xiaohua; Lin, Lili; Feng, Xiaoming","Catalytic Asymmetric Intra- and Intermolecular Haloetherification of Enones: An Efficient Approach to (−)-Centrolobine","ACS Catalysis","2016","6","11","7778","","10.1021/acscatal.6b02048","","x-ray","0.71073","MoKα","","0.1015","0.0584","","","0.0994","0.1177","","","","","","1.01","","","","has coordinates","190287","2020-10-21","18:00:00",""
"4513976","5.4678","0.0005","8.6283","0.0004","18.6625","0.001","90","","91.41","0.007","90","","880.19","0.1","269.85","0.1","269.85","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C20 H21 Br O2 -","- C20 H21 Br O2 -","- C40 H42 Br2 O4 -","2","1","","Zhou, Pengfei; Cai, Yunfei; Zhong, Xia; Luo, Weiwei; Kang, Tengfei; Li, Jun; Liu, Xiaohua; Lin, Lili; Feng, Xiaoming","Catalytic Asymmetric Intra- and Intermolecular Haloetherification of Enones: An Efficient Approach to (−)-Centrolobine","ACS Catalysis","2016","6","11","7778","","10.1021/acscatal.6b02048","","x-ray","0.71073","MoKα","","0.0749","0.0464","","","0.0963","0.11","","","","","","1.028","","","","has coordinates","188908","2020-10-21","18:00:00",""
"4513977","8.8973","0.0003","6.9477","0.0003","12.2822","0.0005","90","","100.56","0.004","90","","746.37","0.05","293.28","0.1","293.28","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C16 H15 Br O2 -","- C16 H15 Br O2 -","- C32 H30 Br2 O4 -","2","1","","Zhou, Pengfei; Cai, Yunfei; Zhong, Xia; Luo, Weiwei; Kang, Tengfei; Li, Jun; Liu, Xiaohua; Lin, Lili; Feng, Xiaoming","Catalytic Asymmetric Intra- and Intermolecular Haloetherification of Enones: An Efficient Approach to (−)-Centrolobine","ACS Catalysis","2016","6","11","7778","","10.1021/acscatal.6b02048","","x-ray","1.54184","CuKα","","0.07","0.0692","","","0.1778","0.1792","","","","","","1.083","","","","has coordinates","188908","2020-10-21","18:00:00",""
"4513978","9.1361","0.0019","10.454","0.002","10.987","0.002","109.018","0.003","100.334","0.003","109.417","0.003","885.6","0.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C14 H16 Cl3 Ir N2 O5 -","- C14 H16 Cl3 Ir N2 O5 -","- C28 H32 Cl6 Ir2 N4 O10 -","2","1","","Abril, Paula; del R\?ío, M. Pilar; Tejel, Cristina; Verhoeven, Tiny W. G. M.; Niemantsverdriet, J. W. Hans; Van der Ham, Cornelis J. M.; Kottrup, Konstantin G.; Hetterscheid, Dennis G. H.","Detangling Catalyst Modification Reactions from the Oxygen Evolution Reaction by Online Mass Spectrometry","ACS Catalysis","2016","","","7872","","10.1021/acscatal.6b02800","","","0.71073","MoKα","","0.0566","0.0371","","","0.0693","0.075","","","","","","1.045","","","","has coordinates","187480","2020-10-21","18:00:00",""
"4513979","10.7287","0.0003","11.7933","0.0003","20.5611","0.0006","100.143","0.001","97.14","0.001","93.382","0.001","2532.29","0.12","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C51 H71 Cu Fe N2 O3 Si2 -","- C51 H71 Cu Fe N2 O3 Si2 -","- C102 H142 Cu2 Fe2 N4 O6 Si4 -","2","1","","Chakraborty, Arundhoti; Kinney, R. Garrison; Krause, Jeanette A.; Guan, Hairong","Cooperative Iron‒Oxygen‒Copper Catalysis in the Reduction of Benzaldehyde under Water-Gas Shift Reaction Conditions","ACS Catalysis","2016","6","11","7855","","10.1021/acscatal.6b01994","","","1.54178","CuKα","","0.1133","0.0633","","","0.135","0.1579","","","","","","1.023","","","","has coordinates","188907","2020-10-21","18:00:00",""
"4513980","11.9549","0.0002","10.1772","0.0002","40.3744","0.0006","90","","95.356","0.001","90","","4890.8","0.15","150","2","150","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C52 H63 Cu D6 Fe N2 O3 -","- C52 H62 Cu D6 Fe N2 O3 -","- C208 H248 Cu4 D24 Fe4 N8 O12 -","4","1","","Chakraborty, Arundhoti; Kinney, R. Garrison; Krause, Jeanette A.; Guan, Hairong","Cooperative Iron‒Oxygen‒Copper Catalysis in the Reduction of Benzaldehyde under Water-Gas Shift Reaction Conditions","ACS Catalysis","2016","6","11","7855","","10.1021/acscatal.6b01994","","","1.54178","CuKα","","0.0796","0.0649","","","0.1635","0.1764","","","","","","1.051","","","","has coordinates,has disorder","188907","2020-10-21","18:00:00",""
"4513981","20.4853","0.0002","14.08083","0.00013","22.6949","0.0003","90","","95.5664","0.001","90","","6515.47","0.12","150","0.1","150","0.1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C34 H51 Fe N2 P -","- C34 H51 Fe N2 P -","- C272 H408 Fe8 N16 P8 -","8","1","","Espinal-Viguri, Maialen; King, Andrew K.; Lowe, John P.; Mahon, Mary F.; Webster, Ruth L.","Hydrophosphination of Unactivated Alkenes and Alkynes Using Iron(II): Catalysis and Mechanistic Insight","ACS Catalysis","2016","6","11","7892","","10.1021/acscatal.6b02290","","x-ray","1.54184","CuKα","","0.0352","0.0309","","","0.0768","0.0794","","","","","","1.033","","","","has coordinates","188903","2020-10-21","18:00:00",""
"4513982","8.463","0.0019","20.965","0.008","35.984","0.012","90","","90","","90","","6385","4","298","2","298","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","(pentamethylcyclopentadienyl)(triphenylphosphinimido) titanium dichloride benzene solvate","","- C34 H36 Cl2 N P Ti -","- C34 H36 Cl2 N P Ti -","- C272 H288 Cl16 N8 P8 Ti8 -","8","1","","Ehm, Christian; Cipullo, Roberta; Passaro, Miriana; Zaccaria, Francesco; Budzelaar, Peter H. M.; Busico, Vincenzo","Chain Transfer to Solvent in Propene Polymerization with Ti Cp-phosphinimide Catalysts: Evidence for Chain Termination via Ti‒C Bond Homolysis","ACS Catalysis","2016","","","7989","","10.1021/acscatal.6b02738","","","0.71073","MoKα","","0.0885","0.049","","","0.1007","0.115","","","","","","1.049","","","","has coordinates","187627","2020-10-21","18:00:00",""
"4513983","33.03","0.003","14.5141","0.0015","23.743","0.002","90","","106.097","0.002","90","","10936.1","1.8","100","2","100","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C60.38 H57 Cl1.75 N4 O9 -","- C60.375 H57 Cl1.75 N4 O9 -","- C483 H456 Cl14 N32 O72 -","8","2","","Ma, Chao; Huang, Yuan; Zhao, Yu","Stereoselective 1,6-Conjugate Addition/Annulation ofpara-Quinone Methides with Vinyl Epoxides/Cyclopropanes","ACS Catalysis","2016","6","10","6408","","10.1021/acscatal.6b01845","","","0.71073","MoKα","","0.0947","0.0736","","","0.1833","0.1982","","","","","","1.058","","","","has coordinates,has disorder","187792","2020-10-21","18:00:00",""
"4513984","10.405","0.0004","14.2652","0.0006","14.6935","0.0006","90","","90","","90","","2180.95","0.15","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C24 H24 Cl N3 O2 -","- C24 H24 Cl N3 O2 -","- C96 H96 Cl4 N12 O8 -","4","1","","Bertuzzi, Giulio; Sinisi, Alessandro; Caruana, Lorenzo; Mazzanti, Andrea; Fochi, Mariafrancesca; Bernardi, Luca","Catalytic Enantioselective Addition of Indoles to ActivatedN-Benzylpyridinium Salts: Nucleophilic Dearomatization of Pyridines with Unusual C-4 Regioselectivity","ACS Catalysis","2016","6","10","6473","","10.1021/acscatal.6b01962","","","0.71073","MoKα","","0.0639","0.0466","","","0.1365","0.1719","","","","","","0.964","","","","has coordinates,has disorder","187793","2020-10-21","18:00:00",""
"4513985","8.3462","0.0002","8.4556","0.0002","8.796","0.0002","113.763","0.002","101.75","0.002","91.594","0.002","552.02","0.02","100","2","100","2","","","","","","","","5","P -1","-P 1","2","Zhiyao100315","","","- C16 H24 I2 N8 Ni -","- C16 H24 I2 N8 Ni -","- C16 H24 I2 N8 Ni -","1","0.5","","Lu, Zhiyao; Williams, Travis J.","Di(carbene)-Supported Nickel Systems for CO2Reduction Under Ambient Conditions","ACS Catalysis","2016","6","10","6670","","10.1021/acscatal.6b02101","","","1.54184","CuKα","","0.0468","0.0428","","","0.1156","0.1189","","","","","","1.154","","","","has coordinates","187794","2020-10-21","18:00:00",""
"4513986","6.8569","0.0006","16.0355","0.0013","8.668","0.0007","90","","98.926","0.001","90","","941.54","0.14","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C16 H24 B2 N8 Ni -","- C16 H24 B2 N8 Ni -","- C32 H48 B4 N16 Ni2 -","2","0.5","","Lu, Zhiyao; Williams, Travis J.","Di(carbene)-Supported Nickel Systems for CO2Reduction Under Ambient Conditions","ACS Catalysis","2016","6","10","6670","","10.1021/acscatal.6b02101","","","0.71073","MoKα","","0.0481","0.0313","","","0.0682","0.0738","","","","","","1.037","","","","has coordinates","187795","2020-10-21","18:00:00",""
"4513987","12.7894","0.0009","10.6893","0.0007","14.2151","0.001","90","","99.57","0.001","90","","1916.3","0.2","296.15","","296.15","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","24","","- C22 H24 O6 -","- C22 H24 O6 -","- C88 H96 O24 -","4","1","","Liu, Yuliang; Zhang, Mingfu; Tung, Chen-Ho; Wang, Yifeng","TiO2 Photocatalytic Cyclization Reactions for the Syntheses of Aryltetralones","ACS Catalysis","2016","","","8389","","10.1021/acscatal.6b03076","","","0.71073","MoKα","","0.0574","0.048","","","0.1174","0.1227","","","","","","1.052","","","","has coordinates,has disorder","188570","2020-10-21","18:00:00",""
"4513988","12.469","0.003","13.936","0.003","8.2701","0.0017","90","","96.849","0.002","90","","1426.8","0.5","296.15","","296.15","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C18 H18 O3 -","- C18 H18 O3 -","- C72 H72 O12 -","4","1","","Liu, Yuliang; Zhang, Mingfu; Tung, Chen-Ho; Wang, Yifeng","TiO2 Photocatalytic Cyclization Reactions for the Syntheses of Aryltetralones","ACS Catalysis","2016","","","8389","","10.1021/acscatal.6b03076","","","0.71073","MoKα","","0.0647","0.05","","","0.1232","0.1341","","","","","","1.066","","","","has coordinates","188571","2020-10-21","18:00:00",""
"4513990","24.0185","0.0009","5.3968","0.0002","20.965","0.0006","90","","94.688","0.002","90","","2708.46","0.16","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C30 H30 O4 P2 -","- C30 H30 O4 P2 -","- C120 H120 O16 P8 -","4","1","","Ilies, Laurean; Itabashi, Yuki; Shang, Rui; Nakamura, Eiichi","Iron/Zinc-Co-catalyzed Directed Arylation and Alkenylation of C(sp3)‒H Bonds with Organoborates","ACS Catalysis","2016","","","89","","10.1021/acscatal.6b02927","","","1.54187","CuKα","","0.2505","0.1068","","","0.2531","0.3251","","","","","","0.887","","","","has coordinates","188778","2020-10-21","18:00:00",""
"4513991","48.8272","0.0008","48.8272","0.0008","48.8272","0.0008","90","","90","","90","","116409","3","298","2","298","2","","","","","","","","5","F m -3 m","-F 4 2 3","225","Cu-NTTA","","","- C90 H73.5 Cu6 N8 O42.75 -","- C90 H44.9256 Cu6 N8 O42.75 -","- C1440 H718.81 Cu96 N128 O684 -","16","0.0833333","","Guo, Xiangyang; Zhou, Zhen; Chen, Cong; Bai, Junfeng; He, Cheng; Duan, Chunying","New rht-Type Metal-Organic Frameworks Decorated with Acylamide Groups for Efficient Carbon Dioxide Capture and Chemical Fixation from Raw Power Plant Flue Gas.","ACS applied materials & interfaces","2016","8","46","31746","31756","10.1021/acsami.6b13928","","","0.71073","MoKα","","0.1279","0.0781","","","0.2217","0.2319","","","","","","1.058","","","","has coordinates,has disorder","189936","2020-10-21","18:00:00",""
"4513992","13.636","0.003","13.636","0.003","19.467","0.004","90","","90","","90","","3619.7","1.3","100","2","100","2","","","","","","","","6","P 42 21 2","P 4n 2n","94","","","","- C23.25 H15.5 Cl7.75 Cu N4 O3.25 -","- C23.348 H15.348 Cl7.696 Cu N4 O3.304 -","- C93.392 H61.392 Cl30.784 Cu4 N16 O13.216 -","4","0.5","","Sengupta, Ananya; Datta, Subhadeep; Su, Chenliang; Herng, Tun Seng; Ding, Jun; Vittal, Jagadese J.; Loh, Kian Ping","Tunable Electrical Conductivity and Magnetic Property of the Two Dimensional Metal Organic Framework [Cu(TPyP)Cu2(O2CCH3)4]","ACS Applied Materials & Interfaces","2016","8","25","16154","","10.1021/acsami.6b03073","","","0.71073","MoKα","","0.0967","0.0864","","","0.2353","0.2439","","","","","","0.994","","","","has coordinates,has disorder","189224","2020-10-21","18:00:00",""
"4513993","18.9022","0.0003","9.9937","0.0002","43.3265","0.0007","90","","91.431","0.0016","90","","8181.9","0.2","150","","150","","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C30 H30 Ni O2 P2 -","- C30 H30 Ni O2 P2 -","- C360 H360 Ni12 O24 P24 -","12","1.5","","Dey, Aniruddha; Sasmal, Sheuli; Seth, Kapileswar; Lahiri, Goutam Kumar; Maiti, Debabrata","Nickel-Catalyzed Deamidative Step-Down Reduction of Amides to Aromatic Hydrocarbons","ACS Catalysis","2016","","","433","","10.1021/acscatal.6b03040","","x-ray","0.71073","MoKα","","0.0512","0.0356","","","0.1059","0.1343","","","","","","1.226","","","","has coordinates","189519","2020-10-21","18:00:00",""
"4513995","8.6779","0.0005","9.0204","0.0006","12.802","0.0006","92.405","0.005","96.467","0.005","113.588","0.006","908.37","0.1","180","2","180","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H20 Br Cl O4 -","- C18 H20 Br Cl O4 -","- C36 H40 Br2 Cl2 O8 -","2","1","","Gao, Yuzhen; Zhang, Pengbo; Ji, Zhe; Tang, Guo; Zhao, Yufen","Copper-Catalyzed Cascade Radical Addition‒Cyclization Halogen Atom Transfer between Alkynes and Unsaturated α-Halogenocarbonyls","ACS Catalysis","2016","","","186","","10.1021/acscatal.6b03033","","","1.54184","CuKα","","0.0598","0.0579","","","0.1621","0.1657","","","","","","1.046","","","","has coordinates","189521","2020-10-21","18:00:00",""
"4513996","9.4351","0.0016","12.256","0.002","13.14","0.002","90","","90","","90","","1519.5","0.4","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H17 Br O5 -","- C16 H17 Br O5 -","- C64 H68 Br4 O20 -","4","1","","Uyanik, Muhammet; Sasakura, Niiha; Mizuno, Masahiro; Ishihara, Kazuaki","Enantioselective Synthesis of Masked Benzoquinones Using Designer Chiral Hypervalent Organoiodine(III) Catalysis","ACS Catalysis","2016","","","872","","10.1021/acscatal.6b03380","","","0.71073","MoKα","","0.0293","0.0265","","","0.0641","0.0651","","","","","","1.005","","","","has coordinates","189522","2020-10-21","18:00:00",""
"4513997","10.2112","0.0007","7.7666","0.0005","27.5135","0.0019","90","","90","","90","","2182","0.3","93","2","93","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C15 H13 N O -","- C15 H13 N O -","- C120 H104 N8 O8 -","8","1","","Potter, Tyler J.; Kamber, David N.; Mercado, Brandon Q.; Ellman, Jonathan A.","Rh(III)-Catalyzed Aryl and Alkenyl C‒H Bond Addition to Diverse Nitroalkenes","ACS Catalysis","2016","","","150","","10.1021/acscatal.6b03217","","","1.54178","CuKα","","0.0302","0.0292","","","0.0727","0.0735","","","","","","1.07","","","","has coordinates","189523","2020-10-21","18:00:00",""
"4516365","16.085","","16.0849","0.0013","20.246","0.0017","90","","90","","90","","5238.2","0.6","293","2","293","2","","","","","","","","6","P c c a","-P 2a 2ac","54","","","","- C24 H18 Cd N4 O6 S -","- C24 H18 Cd N4 O6 S -","- C192 H144 Cd8 N32 O48 S8 -","8","1","","Ju, Zemin; Yan, Wei; Gao, Xiangjing; Shi, Zhenzhen; Wang, Ting; Zheng, Hegen","Syntheses, Characterization, and Luminescence Properties of Four Metal‒Organic Frameworks Based on a Linear-Shaped Rigid Pyridine Ligand","Crystal Growth & Design","2016","16","5","2496","","10.1021/acs.cgd.5b00681","","","0.71073","MoKα","","0.0433","0.0345","","","0.0961","0.1019","","","","","","1.14","","","","has coordinates","231270","2020-10-21","18:00:00",""
"4516366","9.434","0.0008","12.8307","0.0011","20.1416","0.0017","84.029","0.001","78.849","0.001","88.569","0.001","2379","0.4","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C48 H28 N8 O8 S2 Zn2 -","- C48 H28 N8 O8 S2 Zn2 -","- C96 H56 N16 O16 S4 Zn4 -","2","1","","Ju, Zemin; Yan, Wei; Gao, Xiangjing; Shi, Zhenzhen; Wang, Ting; Zheng, Hegen","Syntheses, Characterization, and Luminescence Properties of Four Metal‒Organic Frameworks Based on a Linear-Shaped Rigid Pyridine Ligand","Crystal Growth & Design","2016","16","5","2496","","10.1021/acs.cgd.5b00681","","","0.71073","MoKα","","0.0915","0.084","","","0.2433","0.2545","","","","","","1.085","","","","has coordinates","231270","2020-10-21","18:00:00",""
"4516367","18.396","0.004","15.81","0.004","17.018","0.004","90","","90","","90","","4950","2","296","2","296","2","","","","","","","","6","P c c 2","P 2 -2c","27","","","","- C96 H58 Co4 N16 O17 S4 -","- C96 H58 Co4 N16 O17 S4 -","- C192 H116 Co8 N32 O34 S8 -","2","0.5","","Ju, Zemin; Yan, Wei; Gao, Xiangjing; Shi, Zhenzhen; Wang, Ting; Zheng, Hegen","Syntheses, Characterization, and Luminescence Properties of Four Metal‒Organic Frameworks Based on a Linear-Shaped Rigid Pyridine Ligand","Crystal Growth & Design","2016","16","5","2496","","10.1021/acs.cgd.5b00681","","","0.71073","MoKα","","0.0548","0.0482","","","0.1457","0.152","","","","","","1.075","","","","has coordinates","231270","2020-10-21","18:00:00",""
"4516368","10.314","0.004","7.447","0.003","24.04","0.009","90","","95.034","0.005","90","","1839.4","1.2","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C40 H32 N8 Ni O8 S2 -","- C40 H32 N8 Ni O8 S2 -","- C80 H64 N16 Ni2 O16 S4 -","2","0.5","","Ju, Zemin; Yan, Wei; Gao, Xiangjing; Shi, Zhenzhen; Wang, Ting; Zheng, Hegen","Syntheses, Characterization, and Luminescence Properties of Four Metal‒Organic Frameworks Based on a Linear-Shaped Rigid Pyridine Ligand","Crystal Growth & Design","2016","16","5","2496","","10.1021/acs.cgd.5b00681","","","0.71073","MoKα","","0.0567","0.0401","","","0.1057","0.114","","","","","","1.048","","","","has coordinates","231270","2020-10-21","18:00:00",""
"4516579","11.003","0.012","12.486","0.014","15.925","0.017","100.091","0.012","106.028","0.013","95.762","0.013","2045","4","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C32 H12 Gd2 K2 N0 O28 -","- C32 H12 Gd2 K2 O28 -","- C64 H24 Gd4 K4 O56 -","2","1","","Zhang, Huijie; Fan, Ruiqing; Chen, Wei; Fan, Jizhuang; Dong, Yuwei; Song, Yang; Du, Xi; Wang, Ping; Yang, Yulin","3D Lanthanide Metal‒Organic Frameworks Based on Mono-, Tri-, and Heterometallic Tetranuclear Clusters as Highly Selective and Sensitive Luminescent Sensor for Fe3+ and Cu2+ Ions","Crystal Growth & Design","2016","16","9","5429","","10.1021/acs.cgd.6b00903","","","0.71073","MoKα","","0.0847","0.0581","","","0.1593","0.1981","","","","","","1.101","","","","has coordinates","231384","2020-10-21","18:00:00",""
"4516580","11.072","0.003","12.676","0.004","16.022","0.005","100.291","0.01","105.884","0.009","95.927","0.009","2100.3","1.1","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","","","- C32 H12 Eu2 K2 O29 -","- C32 H12 Eu2 K2 O29 -","- C64 H24 Eu4 K4 O58 -","2","1","","Zhang, Huijie; Fan, Ruiqing; Chen, Wei; Fan, Jizhuang; Dong, Yuwei; Song, Yang; Du, Xi; Wang, Ping; Yang, Yulin","3D Lanthanide Metal‒Organic Frameworks Based on Mono-, Tri-, and Heterometallic Tetranuclear Clusters as Highly Selective and Sensitive Luminescent Sensor for Fe3+ and Cu2+ Ions","Crystal Growth & Design","2016","16","9","5429","","10.1021/acs.cgd.6b00903","","","0.71073","MoKα","","0.1165","0.0686","","","0.1645","0.1936","","","","","","0.993","","","","has coordinates","231385","2020-10-21","18:00:00",""
"4516581","24.286","0.002","10.3078","0.0012","13.5214","0.0017","90","","101.008","0.004","90","","3322.6","0.6","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C16 H13 Eu N0 O12 -","- C16 H13 Eu O12 -","- C128 H104 Eu8 O96 -","8","1","","Zhang, Huijie; Fan, Ruiqing; Chen, Wei; Fan, Jizhuang; Dong, Yuwei; Song, Yang; Du, Xi; Wang, Ping; Yang, Yulin","3D Lanthanide Metal‒Organic Frameworks Based on Mono-, Tri-, and Heterometallic Tetranuclear Clusters as Highly Selective and Sensitive Luminescent Sensor for Fe3+ and Cu2+ Ions","Crystal Growth & Design","2016","16","9","5429","","10.1021/acs.cgd.6b00903","","","0.71073","MoKα","","0.0679","0.0373","","","0.0673","0.0762","","","","","","0.975","","","","has coordinates","231386","2020-10-21","18:00:00",""
"4516582","23.0599","0.0017","11.005","0.0008","20.9497","0.0016","90","","106.369","0.002","90","","5101","0.7","173","2","173","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C16.5 H6.5 Eu1.5 O12 -","- C16.5 H6.5 Eu1.5 O12 -","- C132 H52 Eu12 O96 -","8","1","","Zhang, Huijie; Fan, Ruiqing; Chen, Wei; Fan, Jizhuang; Dong, Yuwei; Song, Yang; Du, Xi; Wang, Ping; Yang, Yulin","3D Lanthanide Metal‒Organic Frameworks Based on Mono-, Tri-, and Heterometallic Tetranuclear Clusters as Highly Selective and Sensitive Luminescent Sensor for Fe3+ and Cu2+ Ions","Crystal Growth & Design","2016","16","9","5429","","10.1021/acs.cgd.6b00903","","","0.71073","MoKα","","0.0811","0.0498","","","0.1196","0.1287","","","","","","1.036","","","","has coordinates,has disorder","231387","2020-10-21","18:00:00",""
"4516583","11.0252","0.0009","12.6045","0.001","16.008","0.0013","100.237","0.001","106.07","0.001","95.725","0.001","2077.4","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C32 H12 K2 O29 Tb2 -","- C32 H12 K2 O29 Tb2 -","- C64 H24 K4 O58 Tb4 -","2","1","","Zhang, Huijie; Fan, Ruiqing; Chen, Wei; Fan, Jizhuang; Dong, Yuwei; Song, Yang; Du, Xi; Wang, Ping; Yang, Yulin","3D Lanthanide Metal‒Organic Frameworks Based on Mono-, Tri-, and Heterometallic Tetranuclear Clusters as Highly Selective and Sensitive Luminescent Sensor for Fe3+ and Cu2+ Ions","Crystal Growth & Design","2016","16","9","5429","","10.1021/acs.cgd.6b00903","","","0.71073","MoKα","","0.0339","0.0281","","","0.0745","0.0778","","","","","","1.029","","","","has coordinates","231388","2020-10-21","18:00:00",""
"4516586","18.116","0.014","9.199","0.006","21.372","0.015","90","","110.25","0.02","90","","3341","4","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C34 H32 F4 I2 N2 O2 -","- C34 H32 F4 I2 N2 O2 -","- C136 H128 F16 I8 N8 O8 -","4","0.5","","Bhattacharjee, Subham; Bhattacharya, Santanu","Remarkable Role of C-I···N Halogen Bonding in Thixotropic 'Halo'gel Formation.","Langmuir : the ACS journal of surfaces and colloids","2016","32","17","4270","4277","10.1021/acs.langmuir.5b02597","","","0.71073","MoKα","","0.0679","0.0373","","","0.0963","0.1049","","","","","","1.051","","","","has coordinates","236672","2020-10-21","18:00:00",""
"4516587","4.4249","0.0011","18.666","0.005","24.465","0.006","90","","93.338","0.009","90","","2017.3","0.9","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C40 H44 F4 I2 N2 O8 -","- C40 H44 F4 I2 N2 O8 -","- C80 H88 F8 I4 N4 O16 -","2","0.5","","Bhattacharjee, Subham; Bhattacharya, Santanu","Remarkable Role of C-I···N Halogen Bonding in Thixotropic 'Halo'gel Formation.","Langmuir : the ACS journal of surfaces and colloids","2016","32","17","4270","4277","10.1021/acs.langmuir.5b02597","","","0.71073","MoKα","","0.0958","0.0469","","","0.1049","0.1577","","","","","","1.088","","","","has coordinates","236672","2020-10-21","18:00:00",""
"4516588","5.747","0.003","15.85","0.007","22.201","0.01","90","","90","","90","","2022.3","1.7","100","0.5","100","0.5","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","nilwl06","","","- C24.7 H20 N2 O4.6 -","- C24.704 H20 N2 O4.592 -","- C98.816 H80 N8 O18.368 -","4","1","","Liyanage, Wathsala; Nilsson, Bradley L.","Substituent Effects on the Self-Assembly/Coassembly and Hydrogelation of Phenylalanine Derivatives.","Langmuir : the ACS journal of surfaces and colloids","2016","32","3","787","799","10.1021/acs.langmuir.5b03227","","","0.71073","MoKα","","0.1257","0.0601","","","0.1163","0.1428","","","","","","1.026","","","","has coordinates,has disorder","236674","2020-10-21","18:00:00",""
"4516589","5.6748","0.0007","15.6612","0.0019","22.411","0.003","90","","90","","90","","1991.8","0.4","100","0.5","100","0.5","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","nilwl09","","","- C25 H23 N O4 -","- C25 H23 N O4 -","- C100 H92 N4 O16 -","4","1","","Liyanage, Wathsala; Nilsson, Bradley L.","Substituent Effects on the Self-Assembly/Coassembly and Hydrogelation of Phenylalanine Derivatives.","Langmuir : the ACS journal of surfaces and colloids","2016","32","3","787","799","10.1021/acs.langmuir.5b03227","","","0.71073","MoKα","","0.078","0.0544","","","0.115","0.126","","","","","","1.033","","","","has coordinates","236676","2020-10-21","18:00:00",""
"4516590","5.01","0.001","17.384","0.004","13.25","0.003","90","","91.32","0.03","90","","1153.7","0.4","100","","100","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C27 H26 N4 O4 -","- C27 H26 N4 O4 -","- C54 H52 N8 O8 -","2","1","","Martin, Adam D.; Wojciechowski, Jonathan P.; Bhadbhade, Mohan M.; Thordarson, Pall","A Capped Dipeptide Which Simultaneously Exhibits Gelation and Crystallization Behavior.","Langmuir : the ACS journal of surfaces and colloids","2016","32","9","2245","2250","10.1021/acs.langmuir.5b03963","","","0.71073","MoKα","","0.0526","0.0491","","","0.1224","0.1245","","","","","","1.068","","","","has coordinates","236678","2020-10-21","18:00:00",""
"4516591","18.4892","0.0018","13.141","0.0013","7.5192","0.0007","90","","93.942","0.001","90","","1822.6","0.3","191","2","191","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C11 H7 N O S -","- C11 H7 N O S -","- C88 H56 N8 O8 S8 -","8","1","","Partes, Christoph; Yildirim, Can; Schuster, Swen; Kind, Martin; Bats, Jan W.; Zharnikov, Michael; Terfort, Andreas","Self-Assembled Monolayers of Pseudo-C<sub>2v</sub>-Symmetric, Low-Band-Gap Areneoxazolethiolates on Gold Surfaces.","Langmuir : the ACS journal of surfaces and colloids","2016","32","44","11474","11484","10.1021/acs.langmuir.6b03055","","","0.71073","MoKα","","0.0665","0.0463","","","0.116","0.1247","","","","","","1.095","","","","has coordinates","236680","2020-10-21","18:00:00",""
"4516592","10.1957","0.0001","18.8215","0.0002","13.6849","0.0002","90","","99.59","0.001","90","","2589.41","0.05","291","2","291","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C56 H56 Ag2 I2 P4 -","- C56 H56 Ag2 I2 P4 -","- C112 H112 Ag4 I4 P8 -","2","0.5","","Feng, Juan; Zeng, Lihua; Chen, Kunyu; Fang, Haobin; Zhang, Jianyong; Chi, Zhenguo; Su, Cheng-Yong","Gelation of Luminescent Supramolecular Cages and Transformation to Crystals with Trace-Doped-Enhancement Luminescence.","Langmuir : the ACS journal of surfaces and colloids","2016","32","46","12184","12189","10.1021/acs.langmuir.6b03678","","","1.54178","CuKα","","0.0298","0.0259","","","0.0636","0.0663","","","","","","1.074","","","","has coordinates","236682","2020-10-21","18:00:00",""
"4516603","9.1436","0.0015","12.0015","0.0017","15.84","0.003","67.934","0.009","82.349","0.012","77.354","0.012","1569.3","0.5","93","","93","","","","","","","","","5","P -1","-P 1","2","","","","- C72 H94 N8 O4 Si -","- C72 H94 N8 O4 Si -","- C72 H94 N8 O4 Si -","1","0.5","","Zysman-Colman, Eli; Ghosh, Sanjay S.; Xie, Guohua; Varghese, Shinto; Chowdhury, Mithun; Sharma, Nidhi; Cordes, David B.; Slawin, Alexandra M. Z.; Samuel, Ifor D. W.","Solution-Processable Silicon Phthalocyanines in Electroluminescent and Photovoltaic Devices.","ACS applied materials & interfaces","2016","8","14","9247","9253","10.1021/acsami.5b12408","","","0.71075","MoKα","","0.055","0.0396","","","0.1031","0.1107","","","","","","1.011","","","","has coordinates","239400","2020-10-21","18:00:00",""
"4516604","11.313","0.002","12.132","0.002","19.504","0.004","90.596","0.003","103.058","0.005","90.793","0.004","2607.2","0.8","93","","93","","","","","","","","","5","P -1","-P 1","2","","","","- C62 H58 N8 O4 Si -","- C62 H58 N8 O4 Si -","- C124 H116 N16 O8 Si2 -","2","1","","Zysman-Colman, Eli; Ghosh, Sanjay S.; Xie, Guohua; Varghese, Shinto; Chowdhury, Mithun; Sharma, Nidhi; Cordes, David B.; Slawin, Alexandra M. Z.; Samuel, Ifor D. W.","Solution-Processable Silicon Phthalocyanines in Electroluminescent and Photovoltaic Devices.","ACS applied materials & interfaces","2016","8","14","9247","9253","10.1021/acsami.5b12408","","","0.71075","MoKα","","0.0631","0.0529","","","0.1425","0.1462","","","","","","1.049","","","","has coordinates","239400","2020-10-21","18:00:00",""
"4516605","11.1098","0.0005","5.7159","0.0002","13.0553","0.0005","90","","109.388","0.005","90","","782.03","0.06","99.94","0.16","99.94","0.16","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C20 H16 N2 O -","- C20 H16 N2 O -","- C40 H32 N4 O2 -","2","1","","Wang, Zhiming; Gui, Chen; Zhao, Engui; Wang, Jing; Li, Xiaodong; Qin, Anjun; Zhao, Zujin; Yu, Zhenqiang; Tang, Ben Zhong","Specific Fluorescence Probes for Lipid Droplets Based on Simple AIEgens.","ACS applied materials & interfaces","2016","8","16","10193","10200","10.1021/acsami.6b01282","","x-ray","1.54184","CuKα","","0.0463","0.0398","","","0.095","0.0995","","","","","","1.003","","","","has coordinates","239401","2020-10-21","18:00:00",""
"4516606","20.379","0.008","4.7351","0.0009","31.36","0.009","90","","106.25","0.04","90","","2905.2","1.6","99.9","0.5","99.9","0.5","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H14 N2 O -","- C20 H14 N2 O -","- C160 H112 N16 O8 -","8","2","","Wang, Zhiming; Gui, Chen; Zhao, Engui; Wang, Jing; Li, Xiaodong; Qin, Anjun; Zhao, Zujin; Yu, Zhenqiang; Tang, Ben Zhong","Specific Fluorescence Probes for Lipid Droplets Based on Simple AIEgens.","ACS applied materials & interfaces","2016","8","16","10193","10200","10.1021/acsami.6b01282","","x-ray","1.5418","CuKα","","0.1544","0.0835","","","0.1805","0.2176","","","","","","1","","","","has coordinates","239402","2020-10-21","18:00:00",""
"4516607","24.64","0.006","11.0769","0.0015","5.6402","0.0007","90","","93.124","0.016","90","","1537.1","0.5","295.02","0.1","295.02","0.1","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C12 H6 Se6 -","- C12 H6 Se6 -","- C48 H24 Se24 -","4","0.5","","Debnath, Sashi; Chithiravel, Sundaresan; Sharma, Sagar; Bedi, Anjan; Krishnamoorthy, Kothandam; Zade, Sanjio S.","Selenium-Containing Fused Bicyclic Heterocycle Diselenolodiselenole: Field Effect Transistor Study and Structure-Property Relationship.","ACS applied materials & interfaces","2016","8","28","18222","18230","10.1021/acsami.6b02154","","x-ray","0.71073","MoKα","","0.073","0.0554","","","0.139","0.1552","","","","","","0.983","","","","has coordinates","239403","2020-10-21","18:00:00",""
"4516608","8.0883","0.0007","8.9204","0.0009","9.4575","0.0008","71.489","0.008","71.932","0.008","86.925","0.008","614.39","0.11","100","0.1","100","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C12 H15 S Se2 -","- C12 H15 S Se2 -","- C24 H30 S2 Se4 -","2","1","","Debnath, Sashi; Chithiravel, Sundaresan; Sharma, Sagar; Bedi, Anjan; Krishnamoorthy, Kothandam; Zade, Sanjio S.","Selenium-Containing Fused Bicyclic Heterocycle Diselenolodiselenole: Field Effect Transistor Study and Structure-Property Relationship.","ACS applied materials & interfaces","2016","8","28","18222","18230","10.1021/acsami.6b02154","","x-ray","0.71073","MoKα","","0.0375","0.0315","","","0.0732","0.077","","","","","","1.04","","","","has coordinates","239403","2020-10-21","18:00:00",""
"4516609","8.65366","0.00018","11.9779","0.0002","15.9929","0.0002","68.573","0.0015","86.3419","0.0014","86.7648","0.0016","1539.01","0.05","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C31 H31 F6 N4 O2 P Pt -","- C31 H31 F6 N4 O2 P Pt -","- C62 H62 F12 N8 O4 P2 Pt2 -","2","1","","Fuertes, Sara; Chueca, Andrés J; Perálvarez, Mariano; Borja, Pilar; Torrell, Marc; Carreras, Josep; Sicilia, Violeta","White Light Emission from Planar Remote Phosphor Based on NHC Cycloplatinated Complexes.","ACS applied materials & interfaces","2016","8","25","16160","16169","10.1021/acsami.6b03288","","","0.71073","MoKα","","0.0324","0.0273","","","0.0553","0.0574","","","","","","1.018","","","","has coordinates","239404","2020-10-21","18:00:00",""
"4516610","17.6","0.005","10.418","0.005","18.459","0.005","90","","111.062","0.005","90","","3158","2","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C31 H31 F6 N5 O0.5 P Pt -","- C31 H31 F6 N5 O0.5 P Pt -","- C124 H124 F24 N20 O2 P4 Pt4 -","4","1","","Fuertes, Sara; Chueca, Andrés J; Perálvarez, Mariano; Borja, Pilar; Torrell, Marc; Carreras, Josep; Sicilia, Violeta","White Light Emission from Planar Remote Phosphor Based on NHC Cycloplatinated Complexes.","ACS applied materials & interfaces","2016","8","25","16160","16169","10.1021/acsami.6b03288","","","0.71073","MoKα","","0.0587","0.0465","","","0.1096","0.118","","","","","","1.204","","","","has coordinates","239404","2020-10-21","18:00:00",""
"4516611","28.699","0.005","6.988","0.005","15.388","0.005","90","","90.933","0.005","90","","3086","2","100","2","100","2","","","","","","","","7","C 1 2/m 1","-C 2y","12","","","","- C27 H35 F6 N4 O P Pt -","- C27 H35 F6 N4 O P Pt -","- C108 H140 F24 N16 O4 P4 Pt4 -","4","0.5","","Fuertes, Sara; Chueca, Andrés J; Perálvarez, Mariano; Borja, Pilar; Torrell, Marc; Carreras, Josep; Sicilia, Violeta","White Light Emission from Planar Remote Phosphor Based on NHC Cycloplatinated Complexes.","ACS applied materials & interfaces","2016","8","25","16160","16169","10.1021/acsami.6b03288","","","0.71073","MoKα","","0.0411","0.0331","","","0.0712","0.0743","","","","","","1.092","","","","has coordinates","239404","2020-10-21","18:00:00",""
"4516612","9.785","0.005","11.87","0.005","31.557","0.005","85.773","0.005","89.808","0.005","67.175","0.005","3368","2","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C35 H35 F6 N4 O P Pt -","- C35 H35 F6 N4 O P Pt -","- C140 H140 F24 N16 O4 P4 Pt4 -","4","2","","Fuertes, Sara; Chueca, Andrés J; Perálvarez, Mariano; Borja, Pilar; Torrell, Marc; Carreras, Josep; Sicilia, Violeta","White Light Emission from Planar Remote Phosphor Based on NHC Cycloplatinated Complexes.","ACS applied materials & interfaces","2016","8","25","16160","16169","10.1021/acsami.6b03288","","","0.71069","MoKα","","0.0586","0.0493","","","0.0977","0.1011","","","","","","1.185","","","","has coordinates","251896","2020-10-21","18:00:00",""
"4516613","15.5285","0.0007","15.7542","0.0007","15.8691","0.0007","107.604","0.004","109.573","0.004","109.808","0.004","3039.1","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C51 H38 N10 O8 Zn2 -","- C51 H38 N10 O8 Zn2 -","- C102 H76 N20 O16 Zn4 -","2","1","","Chen, Di-Ming; Tian, Jia-Yue; Chen, Min; Liu, Chun-Sen; Du, Miao","Moisture-Stable Zn(II) Metal-Organic Framework as a Multifunctional Platform for Highly Efficient CO2 Capture and Nitro Pollutant Vapor Detection.","ACS applied materials & interfaces","2016","8","28","18043","18050","10.1021/acsami.6b04611","","","0.71073","MoKα","","0.1068","0.0833","","","0.2602","0.2846","","","","","","1.097","","","","has coordinates","239405","2020-10-21","18:00:00",""
"4516614","13.78","0.009","24.104","0.014","8.437","0.005","90","","104.833","0.011","90","","2709","3","293","2","293","2","","","","","","","","4","C 1 2/m 1","-C 2y","12","","","","- C23 H19 Eu O10 -","- C23 H17 Eu O10 -","- C92 H68 Eu4 O40 -","4","0.5","","Zhao, Yan-Wu; Zhang, Fu-Qiang; Zhang, Xian-Ming","Single Component Lanthanide Hybrids Based on Metal-Organic Framework for Near-Ultraviolet White Light LED.","ACS applied materials & interfaces","2016","8","36","24123","24130","10.1021/acsami.6b07724","","","0.71","MoKα","","0.1113","0.078","","","0.2131","0.2289","","","","","","1.04","","","","has coordinates","239406","2020-10-21","18:00:00",""
"4516615","13.8044","0.0011","24.0322","0.0019","8.4465","0.0007","90","","104.521","0.002","90","","2712.6","0.4","293","2","293","2","","","","","","","","4","C 1 2/m 1","-C 2y","12","","","","- C23 H19 O10 Tb -","- C23 H17 O10 Tb -","- C92 H68 O40 Tb4 -","4","0.5","","Zhao, Yan-Wu; Zhang, Fu-Qiang; Zhang, Xian-Ming","Single Component Lanthanide Hybrids Based on Metal-Organic Framework for Near-Ultraviolet White Light LED.","ACS applied materials & interfaces","2016","8","36","24123","24130","10.1021/acsami.6b07724","","","0.71","MoKα","","0.0706","0.0578","","","0.1682","0.1743","","","","","","1.137","","","","has coordinates","239406","2020-10-21","18:00:00",""
"4516616","13.8599","0.0019","24.088","0.003","8.4281","0.0012","90","","104.557","0.002","90","","2723.5","0.6","298","2","298.15","","","","","","","","","4","C 1 2/m 1","-C 2y","12","","","","- C23 H19 Gd O10 -","- C23 H15 Gd O10 -","- C92 H60 Gd4 O40 -","4","0.5","","Zhao, Yan-Wu; Zhang, Fu-Qiang; Zhang, Xian-Ming","Single Component Lanthanide Hybrids Based on Metal-Organic Framework for Near-Ultraviolet White Light LED.","ACS applied materials & interfaces","2016","8","36","24123","24130","10.1021/acsami.6b07724","","","0.71073","MoKα","","0.0595","0.0531","","","0.1603","0.1647","","","","","","1.166","","","","has coordinates","239406","2020-10-21","18:00:00",""
"4516617","13.7892","0.001","23.8999","0.0018","8.4148","0.0007","90","","104.255","0.001","90","","2687.8","0.4","293","2","293","2","","","","","","","","4","C 1 2/m 1","-C 2y","12","","","","- C23 H19 O10 Tm -","- C23 H17 O10 Tm -","- C92 H68 O40 Tm4 -","4","0.5","","Zhao, Yan-Wu; Zhang, Fu-Qiang; Zhang, Xian-Ming","Single Component Lanthanide Hybrids Based on Metal-Organic Framework for Near-Ultraviolet White Light LED.","ACS applied materials & interfaces","2016","8","36","24123","24130","10.1021/acsami.6b07724","","","0.71","MoKα","","0.064","0.0559","","","0.1648","0.1723","","","","","","1.116","","","","has coordinates","239406","2020-10-21","18:00:00",""
"4516618","15.2032","0.0006","15.2032","0.0006","46.09","0.002","90","","90","","120","","9225.9","0.7","100","2","100","2","","","","","","","","6","R 3 m :H","R 3 -2""","160","","","","- C53.25 H44 Cl9 Cr3 N10.5 O44.92 -","- C54 H44 Cl9.01 Cr3 N10.5 O45.67 -","- C162 H132 Cl27.03 Cr9 N31.5 O137.01 -","3","0.166667","","Elsaidi, Sameh K.; Mohamed, Mona H.; Loring, John S.; McGrail, Bernard Pete; Thallapally, Praveen K.","Coordination Covalent Frameworks: A New Route for Synthesis and Expansion of Functional Porous Materials.","ACS applied materials & interfaces","2016","8","42","28424","28427","10.1021/acsami.6b11116","","","1.54178","CuKα","","0.1374","0.1109","","","0.2833","0.3143","","","","","","1.061","","","","has coordinates","239407","2020-10-21","18:00:00",""
"4516619","10.0749","0.0005","31.8249","0.0016","11.4229","0.0009","90","","92.371","0.002","90","","3659.4","0.4","100","2","100","2","","","","","","","","8","I 1 2/a 1","-I 2ya","15","","","","- C38 H30 B2 F8 Fe N6 O2 S2 -","- C38 H30 B2 F8 Fe N6 O2 S2 -","- C152 H120 B8 F32 Fe4 N24 O8 S8 -","4","0.5","","Liang, Yawei; Strohecker, Daniel; Lynch, Vincent; Holliday, Bradley J.; Jones, Richard A.","A Thiophene-Containing Conductive Metallopolymer Using an Fe(II) Bis(terpyridine) Core for Electrochromic Materials.","ACS applied materials & interfaces","2016","8","50","34568","34580","10.1021/acsami.6b11657","","","0.71073","MoKα","","0.0368","0.0307","","","0.0804","0.0826","","","","","","1.066","","","","has coordinates,has disorder","239408","2020-10-21","18:00:00",""
"4516620","12.548","0.0018","13.6595","0.0018","14.447","0.002","91.688","0.004","93.376","0.004","114.922","0.004","2237.7","0.5","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C46 H30 B2 F8 Fe N6 S4 -","- C46 H30 B2 F8 Fe N6 S4 -","- C92 H60 B4 F16 Fe2 N12 S8 -","2","1","","Liang, Yawei; Strohecker, Daniel; Lynch, Vincent; Holliday, Bradley J.; Jones, Richard A.","A Thiophene-Containing Conductive Metallopolymer Using an Fe(II) Bis(terpyridine) Core for Electrochromic Materials.","ACS applied materials & interfaces","2016","8","50","34568","34580","10.1021/acsami.6b11657","","","0.71073","MoKα","","0.1451","0.0677","","","0.1665","0.1967","","","","","","1.003","","","","has coordinates","239409","2020-10-21","18:00:00",""
"4516621","12.334","0.0008","14.147","0.0009","14.7989","0.001","93.338","0.002","93.659","0.002","114.749","0.002","2330","0.3","106","2","106","2","","","","","","","","8","P -1","-P 1","2","","","","- C49 H36 B2 F8 N6 O S4 Zn -","- C49 H36 B2 F8 N6 O S4 Zn -","- C98 H72 B4 F16 N12 O2 S8 Zn2 -","2","1","","Liang, Yawei; Strohecker, Daniel; Lynch, Vincent; Holliday, Bradley J.; Jones, Richard A.","A Thiophene-Containing Conductive Metallopolymer Using an Fe(II) Bis(terpyridine) Core for Electrochromic Materials.","ACS applied materials & interfaces","2016","8","50","34568","34580","10.1021/acsami.6b11657","","","0.71073","MoKα","","0.0906","0.0495","","","0.0997","0.1113","","","","","","0.991","","","","has coordinates,has disorder","239410","2020-10-21","18:00:00",""
"4516622","9.996","0.003","11.782","0.004","20.15","0.008","77.689","0.01","84.902","0.013","66.803","0.008","2131.1","1.3","106","2","106","2","","","","","","","","8","P -1","-P 1","2","","","","- C42 H30 B2 F8 Fe N6 O4 S2 -","- C42 H30 B2 F8 Fe N6 O4 S2 -","- C84 H60 B4 F16 Fe2 N12 O8 S4 -","2","1","","Liang, Yawei; Strohecker, Daniel; Lynch, Vincent; Holliday, Bradley J.; Jones, Richard A.","A Thiophene-Containing Conductive Metallopolymer Using an Fe(II) Bis(terpyridine) Core for Electrochromic Materials.","ACS applied materials & interfaces","2016","8","50","34568","34580","10.1021/acsami.6b11657","","","0.71073","MoKα","","0.2171","0.1096","","","0.2225","0.2513","","","","","","1.207","","","","has coordinates,has disorder","239411","2020-10-21","18:00:00",""
"4516623","14.0948","0.0002","14.0948","0.0002","21.151","0.0003","90","","90","","120","","3638.98","0.09","150","2","150","2","","","","","","","","5","P 31 2 1","P 31 2""","152","","","","- C23 H23 F6 N7 Pt -","- C23 H23 F6 N7 Pt -","- C138 H138 F36 N42 Pt6 -","6","1","","Hsu, Che-Wei; Ly, Kiet Tuong; Lee, Wei-Kai; Wu, Chung-Chih; Wu, Lai-Chin; Lee, Jey-Jau; Lin, Tzu-Chieh; Liu, Shih-Hung; Chou, Pi-Tai; Lee, Gene-Hsiang; Chi, Yun","Triboluminescence and Metal Phosphor for Organic Light-Emitting Diodes: Functional Pt(II) Complexes with Both 2-Pyridylimidazol-2-ylidene and Bipyrazolate Chelates.","ACS applied materials & interfaces","2016","8","49","33888","33898","10.1021/acsami.6b12707","","","0.71073","MoKα","","0.044","0.0296","","","0.069","0.0817","","","","","","1.16","","","","has coordinates,has disorder","239412","2020-10-21","18:00:00",""
"4516624","21.955","0.002","12.6248","0.0016","30.457","0.003","90","","90.534","0.003","90","","8441.6","1.6","173","","173","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C40 H40 F6 Ir N4 P -","- C40 H40 F6 Ir N4 P -","- C320 H320 F48 Ir8 N32 P8 -","8","2","","Martir, Diego Rota; Momblona, Cristina; Pertegás, Antonio; Cordes, David B.; Slawin, Alexandra M. Z.; Bolink, Henk J.; Zysman-Colman, Eli","Chiral Iridium(III) Complexes in Light-Emitting Electrochemical Cells: Exploring the Impact of Stereochemistry on the Photophysical Properties and Device Performances.","ACS applied materials & interfaces","2016","8","49","33907","33915","10.1021/acsami.6b14050","","","1.54187","CuKα","","0.0904","0.0702","","","0.1956","0.2156","","","","","","1.105","","","","has coordinates,has disorder","239413","2020-10-21","18:00:00",""
"4516625","13.3394","0.001","13.8004","0.0012","21.779","0.0018","90","","90","","90","","4009.3","0.6","173","","173","","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C41 H42 Cl2 F6 Ir N4 P -","- C41 H42 Cl2 F6 Ir N4 P -","- C164 H168 Cl8 F24 Ir4 N16 P4 -","4","1","","Martir, Diego Rota; Momblona, Cristina; Pertegás, Antonio; Cordes, David B.; Slawin, Alexandra M. Z.; Bolink, Henk J.; Zysman-Colman, Eli","Chiral Iridium(III) Complexes in Light-Emitting Electrochemical Cells: Exploring the Impact of Stereochemistry on the Photophysical Properties and Device Performances.","ACS applied materials & interfaces","2016","8","49","33907","33915","10.1021/acsami.6b14050","","","0.71075","MoKα","","0.0287","0.0267","","","0.0669","0.0801","","","","","","1.109","","","","has coordinates","239413","2020-10-21","18:00:00",""
"4516626","13.3121","0.0015","13.7139","0.0018","21.786","0.003","90","","90","","90","","3977.3","0.9","173","","173","","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C41 H42 Cl2 F6 Ir N4 P -","- C41 H42 Cl2 F6 Ir N4 P -","- C164 H168 Cl8 F24 Ir4 N16 P4 -","4","1","","Martir, Diego Rota; Momblona, Cristina; Pertegás, Antonio; Cordes, David B.; Slawin, Alexandra M. Z.; Bolink, Henk J.; Zysman-Colman, Eli","Chiral Iridium(III) Complexes in Light-Emitting Electrochemical Cells: Exploring the Impact of Stereochemistry on the Photophysical Properties and Device Performances.","ACS applied materials & interfaces","2016","8","49","33907","33915","10.1021/acsami.6b14050","","","0.71075","MoKα","","0.0315","0.0287","","","0.0672","0.0679","","","","","","1.006","","","","has coordinates","239413","2020-10-21","18:00:00",""
"4516627","10.6642","0.0008","21.033","0.0017","12.8729","0.0011","90","","95.903","0.002","90","","2872.1","0.4","173","","173","","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C62 H70 F6 Ir N4 O P -","- C62 H70 F6 Ir N4 O P -","- C124 H140 F12 Ir2 N8 O2 P2 -","2","1","","Martir, Diego Rota; Momblona, Cristina; Pertegás, Antonio; Cordes, David B.; Slawin, Alexandra M. Z.; Bolink, Henk J.; Zysman-Colman, Eli","Chiral Iridium(III) Complexes in Light-Emitting Electrochemical Cells: Exploring the Impact of Stereochemistry on the Photophysical Properties and Device Performances.","ACS applied materials & interfaces","2016","8","49","33907","33915","10.1021/acsami.6b14050","","","0.71075","MoKα","","0.0388","0.0343","","","0.0827","0.084","","","","","","0.981","","","","has coordinates","239413","2020-10-21","18:00:00",""
"4516628","10.6642","0.0008","21.033","0.0017","12.8729","0.0011","90","","95.903","0.002","90","","2872.1","0.4","173","","173","","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C62 H70 F6 Ir N4 O P -","- C62 H70 F6 Ir N4 O P -","- C124 H140 F12 Ir2 N8 O2 P2 -","2","1","","Martir, Diego Rota; Momblona, Cristina; Pertegás, Antonio; Cordes, David B.; Slawin, Alexandra M. Z.; Bolink, Henk J.; Zysman-Colman, Eli","Chiral Iridium(III) Complexes in Light-Emitting Electrochemical Cells: Exploring the Impact of Stereochemistry on the Photophysical Properties and Device Performances.","ACS applied materials & interfaces","2016","8","49","33907","33915","10.1021/acsami.6b14050","","","0.71075","MoKα","","0.0228","0.0207","","","0.0536","0.0542","","","","","","1.032","","","","has coordinates","239413","2020-10-21","18:00:00",""
"4516629","14.58","0.002","18.408","0.003","15.474","0.0019","90","","107.193","0.003","90","","3967.5","1","173","","173","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C82 H76 Cl6 Ir2 N4 -","- C82 H76 Cl6 Ir2 N4 -","- C164 H152 Cl12 Ir4 N8 -","2","1","","Martir, Diego Rota; Momblona, Cristina; Pertegás, Antonio; Cordes, David B.; Slawin, Alexandra M. Z.; Bolink, Henk J.; Zysman-Colman, Eli","Chiral Iridium(III) Complexes in Light-Emitting Electrochemical Cells: Exploring the Impact of Stereochemistry on the Photophysical Properties and Device Performances.","ACS applied materials & interfaces","2016","8","49","33907","33915","10.1021/acsami.6b14050","","","0.71075","MoKα","","0.0818","0.0561","","","0.1491","0.1669","","","","","","1.187","","","","has coordinates","239413","2020-10-21","18:00:00",""
"4516630","14.509","0.004","18.28","0.005","15.325","0.004","90","","106.596","0.005","90","","3895.2","1.8","93","","93","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C82 H76 Cl6 Ir2 N4 -","- C82 H76 Cl6 Ir2 N4 -","- C164 H152 Cl12 Ir4 N8 -","2","1","","Martir, Diego Rota; Momblona, Cristina; Pertegás, Antonio; Cordes, David B.; Slawin, Alexandra M. Z.; Bolink, Henk J.; Zysman-Colman, Eli","Chiral Iridium(III) Complexes in Light-Emitting Electrochemical Cells: Exploring the Impact of Stereochemistry on the Photophysical Properties and Device Performances.","ACS applied materials & interfaces","2016","8","49","33907","33915","10.1021/acsami.6b14050","","","0.71075","MoKα","","0.0597","0.053","","","0.1461","0.1522","","","","","","1.011","","","","has coordinates","239413","2020-10-21","18:00:00",""
"4516694","5.1839","0.0002","17.316","0.0005","23.0197","0.0007","90","","90","","90","","2066.35","0.12","147","2","147","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C24 H25 N3 O2 -","- C24 H25 N3 O2 -","- C96 H100 N12 O8 -","4","1","","Qureshi, Zafar; Kim, Jung Yun; Bruun, Theodora; Lam, Heather; Lautens, Mark","Cu/Pd-Catalyzed Synthesis of Fully Decorated Polycyclic Triazoles: Introducing C‒H Functionalization to Multicomponent Multicatalytic Reactions ((MC)2R)","ACS Catalysis","2016","6","8","4946","","10.1021/acscatal.6b00858","","","1.54178","CuKα","","0.0311","0.0296","","","0.0752","0.0762","","","","","","1.056","","","","has coordinates,has disorder","239463","2020-10-21","18:00:00",""
"4516695","12.0346","0.0004","14.3451","0.0005","16.9307","0.0005","101.182","0.002","90.368","0.002","96","0.002","2850.61","0.16","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C62 H81 O5 Si Y -","- C62 H81 O5 Si Y -","- C124 H162 O10 Si2 Y2 -","2","1","","Xu, Tie-Qi; Yang, Guan-Wen; Lu, Xiao-Bing","Highly Isotactic and High-Molecular-Weight Poly(2-vinylpyridine) by Coordination Polymerization with Yttrium Bis(phenolate) Ether Catalysts","ACS Catalysis","2016","6","8","4907","","10.1021/acscatal.6b00881","","","0.71073","MoKα","","0.101","0.0668","","","0.1697","0.1914","","","","","","1.02","","","","has coordinates","239464","2020-10-21","18:00:00",""
"4516696","12.1686","0.0004","15.7163","0.0005","17.6104","0.0006","90","","100.762","0.0011","90","","3308.67","0.19","100.15","","100.15","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C76 H87 Co N6 O2 Si2 -","- C76 H87 Co N6 O2 Si2 -","- C152 H174 Co2 N12 O4 Si4 -","2","1","","Ibrahim, Abdulrahman D.; Entsminger, Steven W.; Zhu, Lingyang; Fout, Alison R.","A Highly Chemoselective Cobalt Catalyst for the Hydrosilylation of Alkenes using Tertiary Silanes and Hydrosiloxanes","ACS Catalysis","2016","6","6","3589","","10.1021/acscatal.6b01091","","x-ray","0.71073","MoKα","","0.0295","0.0276","","","0.0708","0.0737","","","","","","1.041","","","","has coordinates,has disorder","239465","2020-10-21","18:00:00",""
"4516697","19.0698","0.0004","19.0698","0.0004","9.8294","0.0007","90","","90","","90","","3574.5","0.3","85","","85","","","","","","","","","6","P -4","P -4","81","","","","- C168 H156 Cl4 N20 P4 Ru4 -","- C168 H156 Cl4 N20 P4 Ru4 -","- C168 H156 Cl4 N20 P4 Ru4 -","1","0.25","","Hale, Lillian V. A.; Malakar, Tanmay; Tseng, Kuei-Nin T.; Zimmerman, Paul M.; Paul, Ankan; Szymczak, Nathaniel K.","The Mechanism of Acceptorless Amine Double Dehydrogenation byN,N,N-Amide Ruthenium(II) Hydrides: A Combined Experimental and Computational Study","ACS Catalysis","2016","6","8","4799","","10.1021/acscatal.6b01465","","","1.54187","CuKα","","0.0381","0.0374","","","0.0931","0.0936","","","","","","1.139","","","","has coordinates","239466","2020-10-21","18:00:00",""
"4516698","12.9692","0.0002","16.8857","0.0003","17.268","0.0012","90","","90.769","0.006","90","","3781.2","0.3","85","","85","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C184 H164 N24 P4 Ru4 -","- C184 H164 N24 P4 Ru4 -","- C184 H164 N24 P4 Ru4 -","1","0.25","","Hale, Lillian V. A.; Malakar, Tanmay; Tseng, Kuei-Nin T.; Zimmerman, Paul M.; Paul, Ankan; Szymczak, Nathaniel K.","The Mechanism of Acceptorless Amine Double Dehydrogenation byN,N,N-Amide Ruthenium(II) Hydrides: A Combined Experimental and Computational Study","ACS Catalysis","2016","6","8","4799","","10.1021/acscatal.6b01465","","","1.54187","CuKα","","0.0832","0.0788","","","0.215","0.2205","","","","","","1.097","","","","has coordinates","239466","2020-10-21","18:00:00",""
"4516699","9.5413","0.0005","12.5331","0.0012","16.6646","0.0014","90","","90","","90","","1992.8","0.3","295.14","0.1","295.14","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C23 H21 Cl N O2 -","- C22 H21 Cl N2 O2 -","- C88 H84 Cl4 N8 O8 -","4","1","","Zhang, Ming; Sun, Wangsheng; Zhu, Gongming; Bao, Guangjun; Zhang, Bangzhi; Hong, Liang; Li, Min; Wang, Rui","Enantioselective Dearomative Arylation of Isoquinolines","ACS Catalysis","2016","6","8","5290","","10.1021/acscatal.6b01693","","x-ray","0.71073","MoKα","","0.1522","0.0734","","","0.1357","0.1892","","","","","","1.035","","","","has coordinates","239467","2020-10-21","18:00:00",""
"4516700","11.23","0.003","12.753","0.003","20.255","0.004","85.686","0.005","80.147","0.006","74.114","0.006","2747.7","1.1","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C38 H27 N O -","- C38 H27 N O -","- C152 H108 N4 O4 -","4","2","","Li, Xingwei; Yang, Xifa; Qi, Zisong","Synthesis of Cyclopentadienols by Rhodium-Catalyzed C‒H Activation of 8-Formylquinolines and [2+2+1] Carbocyclization with Alkynes","ACS Catalysis","2016","6","10","6372","","10.1021/acscatal.6b01936","","","0.71073","MoKα","","0.1525","0.0746","","","0.1715","0.2169","","","","","","0.966","","","","has coordinates","239469","2020-10-21","18:00:00",""
"4516701","9.4338","0.0003","11.4458","0.0003","23.1231","0.0007","90","","97.4269","0.0008","90","","2475.83","0.13","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C26 H35 O5 P -","- C26 H35 O5 P -","- C104 H140 O20 P4 -","4","1","","Zhang, Baoxin; Jiao, Haijun; Michalik, Dirk; Kloß, Svenja; Deter, Lisa Marie; Selent, Detlef; Spannenberg, Anke; Franke, Robert; Börner, Armin","Hydrolysis Stability of Bidentate Phosphites Utilized as Modifying Ligands in the Rh-Catalyzedn-Regioselective Hydroformylation of Olefins","ACS Catalysis","2016","6","11","7554","","10.1021/acscatal.6b02185","","","0.71073","MoKα","","0.038","0.034","","","0.092","0.0959","","","","","","1.035","","","","has coordinates","239470","2020-10-21","18:00:00",""
"4516702","4.5729","0.0002","14.1363","0.0005","11.7191","0.0004","90","","100.631","0.0008","90","","744.57","0.05","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C7 H5 O4 P -","- C7 H5 O4 P -","- C28 H20 O16 P4 -","4","1","","Zhang, Baoxin; Jiao, Haijun; Michalik, Dirk; Kloß, Svenja; Deter, Lisa Marie; Selent, Detlef; Spannenberg, Anke; Franke, Robert; Börner, Armin","Hydrolysis Stability of Bidentate Phosphites Utilized as Modifying Ligands in the Rh-Catalyzedn-Regioselective Hydroformylation of Olefins","ACS Catalysis","2016","6","11","7554","","10.1021/acscatal.6b02185","","","0.71073","MoKα","","0.0491","0.0474","","","0.1305","0.1317","","","","","","1.12","","","","has coordinates","239471","2020-10-21","18:00:00",""
"4516703","10.8599","0.0003","15.1287","0.0004","15.5406","0.0004","102.742","0.0006","101.78","0.0007","100.56","0.0006","2367.22","0.11","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C48 H53 O12 P2 Rh -","- C48 H53 O12 P2 Rh -","- C96 H106 O24 P4 Rh2 -","2","1","","Zhang, Baoxin; Jiao, Haijun; Michalik, Dirk; Kloß, Svenja; Deter, Lisa Marie; Selent, Detlef; Spannenberg, Anke; Franke, Robert; Börner, Armin","Hydrolysis Stability of Bidentate Phosphites Utilized as Modifying Ligands in the Rh-Catalyzedn-Regioselective Hydroformylation of Olefins","ACS Catalysis","2016","6","11","7554","","10.1021/acscatal.6b02185","","","0.71073","MoKα","","0.0318","0.0279","","","0.0687","0.0718","","","","","","1.035","","","","has coordinates","239472","2020-10-21","18:00:00",""
"4516704","7.9973","0.0003","11.7658","0.0005","18.4161","0.0007","90","","93.7246","0.0008","90","","1729.2","0.12","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H19 O5 P -","- C18 H19 O5 P -","- C72 H76 O20 P4 -","4","1","","Zhang, Baoxin; Jiao, Haijun; Michalik, Dirk; Kloß, Svenja; Deter, Lisa Marie; Selent, Detlef; Spannenberg, Anke; Franke, Robert; Börner, Armin","Hydrolysis Stability of Bidentate Phosphites Utilized as Modifying Ligands in the Rh-Catalyzedn-Regioselective Hydroformylation of Olefins","ACS Catalysis","2016","6","11","7554","","10.1021/acscatal.6b02185","","","0.71073","MoKα","","0.046","0.0349","","","0.0845","0.0915","","","","","","1.038","","","","has coordinates","239473","2020-10-21","18:00:00",""
"4516705","8.6854","0.0006","11.1584","0.0006","12.3533","0.0007","110.734","0.003","96.486","0.004","95.657","0.004","1100.08","0.12","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H27 N O4 S -","- C24 H27 N O4 S -","- C48 H54 N2 O8 S2 -","2","1","","Teske, Johannes; Plietker, Bernd","A Redox-Neutral Fe-Catalyzed Cycloisomerization of Enyne Acetates","ACS Catalysis","2016","6","10","7148","","10.1021/acscatal.6b02260","","","0.71073","MoKα","","0.0605","0.0399","","","0.0997","0.1075","","","","","","1.04","","","","has coordinates","239474","2020-10-21","18:00:00",""
"4516706","16.7984","0.0008","13.6152","0.0007","16.9579","0.0009","90","","103.928","0.003","90","","3764.5","0.3","100","2","100","2","","","","","","","","9","P 1 21/n 1","-P 2yn","14","","","","- C39 H32 B Cl2 F4 Fe N O3 P2 -","- C39 H32 B Cl2 F4 Fe N O3 P2 -","- C156 H128 B4 Cl8 F16 Fe4 N4 O12 P8 -","4","1","","Teske, Johannes; Plietker, Bernd","A Redox-Neutral Fe-Catalyzed Cycloisomerization of Enyne Acetates","ACS Catalysis","2016","6","10","7148","","10.1021/acscatal.6b02260","","","0.71073","MoKα","","0.0713","0.0427","","","0.0912","0.0988","","","","","","1.046","","","","has coordinates,has disorder","239475","2020-10-21","18:00:00",""
"4516707","12.2695","0.0007","12.9467","0.0007","14.1404","0.0008","78.636","0.003","69.027","0.003","83.561","0.003","2054.1","0.2","100","2","100","2","","","","","","","","9","P -1","-P 1","2","","","","- C40 H34 B Cl3 F4 Fe N2 O2 P2 -","- C40 H34 B Cl3 F4 Fe N2 O2 P2 -","- C80 H68 B2 Cl6 F8 Fe2 N4 O4 P4 -","2","1","","Teske, Johannes; Plietker, Bernd","A Redox-Neutral Fe-Catalyzed Cycloisomerization of Enyne Acetates","ACS Catalysis","2016","6","10","7148","","10.1021/acscatal.6b02260","","","0.71073","MoKα","","0.0846","0.0456","","","0.0947","0.1038","","","","","","1.048","","","","has coordinates,has disorder","239476","2020-10-21","18:00:00",""
"4516708","6.9941","0.00007","17.4234","0.0002","17.1188","0.0002","90","","98.8919","0.0009","90","","2061.04","0.04","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C18 H21 F3 N4 Ni O3 S -","- C18 H21 F3 N4 Ni O3 S -","- C72 H84 F12 N16 Ni4 O12 S4 -","4","1","","Wei, Yingfei; Liu, Shi-Xia; Mueller-Bunz, Helge; Albrecht, Martin","Synthesis of Triazolylidene Nickel Complexes and Their Catalytic Application in Selective Aldehyde Hydrosilylation","ACS Catalysis","2016","6","12","8192","","10.1021/acscatal.6b02269","","","0.71073","MoKα","","0.0323","0.0268","","","0.0655","0.0686","","","","","","1.066","","","","has coordinates","239477","2020-10-21","18:00:00",""
"4516709","13.4405","0.0003","10.5724","0.0003","11.268","0.0003","90","","93.709","0.002","90","","1597.81","0.07","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C15 H16 I N3 Ni O -","- C15 H16 I N3 Ni O -","- C60 H64 I4 N12 Ni4 O4 -","4","1","","Wei, Yingfei; Liu, Shi-Xia; Mueller-Bunz, Helge; Albrecht, Martin","Synthesis of Triazolylidene Nickel Complexes and Their Catalytic Application in Selective Aldehyde Hydrosilylation","ACS Catalysis","2016","6","12","8192","","10.1021/acscatal.6b02269","","","0.71073","MoKα","","0.0279","0.0224","","","0.047","0.0499","","","","","","1.031","","","","has coordinates","239477","2020-10-21","18:00:00",""
"4516710","14.416","0.0002","11.0236","0.0002","25.901","0.0004","90","","98.801","0.002","90","","4067.62","0.11","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C18 H21 F3 N4 Ni O3 S -","- C18 H21 F3 N4 Ni O3 S -","- C144 H168 F24 N32 Ni8 O24 S8 -","8","1","","Wei, Yingfei; Liu, Shi-Xia; Mueller-Bunz, Helge; Albrecht, Martin","Synthesis of Triazolylidene Nickel Complexes and Their Catalytic Application in Selective Aldehyde Hydrosilylation","ACS Catalysis","2016","6","12","8192","","10.1021/acscatal.6b02269","","","0.71073","MoKα","","0.0368","0.0299","","","0.0707","0.0755","","","","","","1.035","","","","has coordinates","239477","2020-10-21","18:00:00",""
"4516711","24.0256","0.0005","13.1262","0.0003","22.3213","0.0006","90","","90","","90","","7039.4","0.3","120","","120","","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C40 H46 Fe N4 O3 -","- C40 H46 Fe N4 O3 -","- C320 H368 Fe8 N32 O24 -","8","1","","MacNair, Alistair J.; Millet, Clément R. P.; Nichol, Gary S.; Ironmonger, Alan; Thomas, Stephen P.","Markovnikov-Selective, Activator-Free Iron-Catalyzed Vinylarene Hydroboration","ACS Catalysis","2016","6","10","7217","","10.1021/acscatal.6b02281","","x-ray","0.71073","MoKα","","0.0631","0.046","","","0.103","0.1099","","","","","","1.08","","","","has coordinates","239478","2020-10-21","18:00:00",""
"4516712","22.7811","0.0006","22.9453","0.0006","13.3383","0.0003","90","","90","","90","","6972.2","0.3","120","","120","","","","","","","","","7","P 21 21 2","P 2 2ab","18","","","","- C150 H162 F12 Fe4 N12 O6 P2 -","- C150 H162 F12 Fe4 N12 O6 P2 -","- C300 H324 F24 Fe8 N24 O12 P4 -","2","0.5","","MacNair, Alistair J.; Millet, Clément R. P.; Nichol, Gary S.; Ironmonger, Alan; Thomas, Stephen P.","Markovnikov-Selective, Activator-Free Iron-Catalyzed Vinylarene Hydroboration","ACS Catalysis","2016","6","10","7217","","10.1021/acscatal.6b02281","","","0.71073","MoKα","","0.0323","0.0282","","","0.0739","0.077","","","","","","1.083","","","","has coordinates","239479","2020-10-21","18:00:00",""
"4516713","8.0949","0.0002","23.7481","0.0005","17.1961","0.0005","90","","97.427","0.003","90","","3278.02","0.14","120","","120","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C36 H36 Fe N6 O6 -","- C36 H36 Fe N6 O6 -","- C144 H144 Fe4 N24 O24 -","4","1","","MacNair, Alistair J.; Millet, Clément R. P.; Nichol, Gary S.; Ironmonger, Alan; Thomas, Stephen P.","Markovnikov-Selective, Activator-Free Iron-Catalyzed Vinylarene Hydroboration","ACS Catalysis","2016","6","10","7217","","10.1021/acscatal.6b02281","","x-ray","1.54184","CuKα","","0.0635","0.0462","","","0.0933","0.1","","","","","","1.034","","","","has coordinates","239480","2020-10-21","18:00:00",""
"4516714","15.49431","0.00014","16.23501","0.00013","15.84297","0.00016","90","","107.287","0.001","90","","3805.28","0.06","120","","120","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C42 H50 Fe N4 O5 -","- C42 H50 Fe N4 O5 -","- C168 H200 Fe4 N16 O20 -","4","2","","MacNair, Alistair J.; Millet, Clément R. P.; Nichol, Gary S.; Ironmonger, Alan; Thomas, Stephen P.","Markovnikov-Selective, Activator-Free Iron-Catalyzed Vinylarene Hydroboration","ACS Catalysis","2016","6","10","7217","","10.1021/acscatal.6b02281","","x-ray","1.54184","CuKα","","0.0367","0.0323","","","0.0783","0.0803","","","","","","1.026","","","","has coordinates","239481","2020-10-21","18:00:00",""
"4516715","10.2029","0.001","19.4064","0.0018","7.7687","0.0007","90","","91.548","0.008","90","","1537.7","0.2","293","","293","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H15 N3 O4 -","- C16 H15 N3 O4 -","- C64 H60 N12 O16 -","4","1","","Prieto, Alexis; Bouyssi, Didier; Monteiro, Nuno","Copper-Catalyzed Double C‒H Alkylation of Aldehyde-Derived N,N-Dialkylhydrazones with Polyhalomethanes: Flexible Access to 4-Functionalized Pyrazoles","ACS Catalysis","2016","6","10","7197","","10.1021/acscatal.6b02439","","","0.71069","MoKα","","0.0975","0.065","","0.103","0.0779","0.0724","","","","","","1.044","","","","has coordinates","239482","2020-10-21","18:00:00",""
"4516716","9.0058","0.0001","9.3091","0.0001","17.9195","0.0012","79.797","0.007","80.388","0.007","89.868","0.006","1457.21","0.11","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C33 H22 Cl3 N4 Ni O2 -","- C33 H22 Cl3 N4 Ni O2 -","- C66 H44 Cl6 N8 Ni2 O4 -","2","1","","He, Zhiqi; Huang, Yong","Diverting C‒H Annulation Pathways: Nickel-Catalyzed Dehydrogenative Homologation of Aromatic Amides","ACS Catalysis","2016","6","11","7814","","10.1021/acscatal.6b02477","","","1.54187","CuKα","","0.0916","0.0676","","","0.1791","0.2033","","","","","","1.096","","","","has coordinates","239483","2020-10-21","18:00:00",""
"4516717","29.3161","0.0007","8.847","0.0003","16.2475","0.0011","90","","122.222","0.009","90","","3564.9","0.5","566","2","566.3","","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C45 H29 F4 N2 O2 -","- C45 H29 F4 N2 O2 -","- C180 H116 F16 N8 O8 -","4","1","","He, Zhiqi; Huang, Yong","Diverting C‒H Annulation Pathways: Nickel-Catalyzed Dehydrogenative Homologation of Aromatic Amides","ACS Catalysis","2016","6","11","7814","","10.1021/acscatal.6b02477","","","1.54178","CuKα","","0.0537","0.0472","","","0.1342","0.1435","","","","","","1.08","","","","has coordinates,has disorder","239484","2020-10-21","18:00:00",""
"4516718","5.6343","0.0001","17.0439","0.0004","18.3976","0.0004","90","","90","","90","","1766.73","0.06","100","","100","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C19 H22 O5 S -","- C19 H22 O5 S -","- C76 H88 O20 S4 -","4","1","","Gutiérrez-Bonet, Álvaro; Tellis, John C.; Matsui, Jennifer K.; Vara, Brandon A.; Molander, Gary A.","1,4-Dihydropyridines as Alkyl Radical Precursors: Introducing the Aldehyde Feedstock to Nickel/Photoredox Dual Catalysis.","ACS catalysis","2016","6","12","8004","8008","10.1021/acscatal.6b02786","","","0.71073","MoKα","","0.0244","0.0236","","","0.0627","0.0636","","","","","","1.032","","","","has coordinates","288221","2023-12-11","22:20:44",""
"4516719","13.0843","0.0009","30.4","0.002","6.6223","0.0005","90","","92.47","0.002","90","","2631.7","0.3","100","","100","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C22 H40 Cl2 N2 Ni O5 -","- C22 H40 Cl2 N2 Ni O5 -","- C88 H160 Cl8 N8 Ni4 O20 -","4","0.5","","Gutiérrez-Bonet, Álvaro; Tellis, John C.; Matsui, Jennifer K.; Vara, Brandon A.; Molander, Gary A.","1,4-Dihydropyridines as Alkyl Radical Precursors: Introducing the Aldehyde Feedstock to Nickel/Photoredox Dual Catalysis.","ACS catalysis","2016","6","12","8004","8008","10.1021/acscatal.6b02786","","","0.71073","MoKα","","0.0617","0.0571","","","0.1568","0.1639","","","","","","1.083","","","","has coordinates","288221","2023-12-11","22:20:44",""
"4516720","13.278","0.002","17.113","0.003","20.133","0.003","90","","90","","90","","4574.7","1.3","168","2","168","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C26 H23 Cl Cu N2 O3 -","- C26 H23 Cl Cu N2 O3 -","- C208 H184 Cl8 Cu8 N16 O24 -","8","1","","Bose, Shubhankar Kumar; Brand, Simon; Omoregie, Helen Oluwatola; Haehnel, Martin; Maier, Jonathan; Bringmann, Gerhard; Marder, Todd B.","Highly Efficient Synthesis of Alkylboronate Esters via Cu(II)-Catalyzed Borylation of Unactivated Alkyl Bromides and Chlorides in Air","ACS Catalysis","2016","6","12","8332","","10.1021/acscatal.6b02918","","","0.71073","MoKα","","0.0307","0.0271","","","0.0749","0.0767","","","","","","1.029","","","","has coordinates","239487","2020-10-21","18:00:00",""
"4516721","12.615","0.003","13.308","0.003","13.396","0.003","90","","116.537","0.003","90","","2012","0.8","168","2","168","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C22 H14 Br Cu F3 N2 O2 -","- C22 H14 Br Cu F3 N2 O2 -","- C88 H56 Br4 Cu4 F12 N8 O8 -","4","1","","Bose, Shubhankar Kumar; Brand, Simon; Omoregie, Helen Oluwatola; Haehnel, Martin; Maier, Jonathan; Bringmann, Gerhard; Marder, Todd B.","Highly Efficient Synthesis of Alkylboronate Esters via Cu(II)-Catalyzed Borylation of Unactivated Alkyl Bromides and Chlorides in Air","ACS Catalysis","2016","6","12","8332","","10.1021/acscatal.6b02918","","","0.71073","MoKα","","0.0297","0.0244","","","0.0625","0.065","","","","","","1.038","","","","has coordinates","239487","2020-10-21","18:00:00",""
"4516722","15.5811","0.0004","8.8795","0.0003","17.1799","0.0005","90","","96.394","0.001","90","","2362.09","0.12","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C29 H22 Cl Cu N3 O2 -","- C29 H22 Cl Cu N3 O2 -","- C116 H88 Cl4 Cu4 N12 O8 -","4","1","","Bose, Shubhankar Kumar; Brand, Simon; Omoregie, Helen Oluwatola; Haehnel, Martin; Maier, Jonathan; Bringmann, Gerhard; Marder, Todd B.","Highly Efficient Synthesis of Alkylboronate Esters via Cu(II)-Catalyzed Borylation of Unactivated Alkyl Bromides and Chlorides in Air","ACS Catalysis","2016","6","12","8332","","10.1021/acscatal.6b02918","","","0.71073","MoKα","","0.0398","0.0306","","","0.0733","0.0778","","","","","","1.03","","","","has coordinates","239487","2020-10-21","18:00:00",""
"4516723","7.3869","0.001","17.69","0.003","14.677","0.002","90","","90.094","0.002","90","","1917.9","0.5","168","2","168","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C22 H17 Cu N3 O5 -","- C22 H17 Cu N3 O5 -","- C88 H68 Cu4 N12 O20 -","4","1","","Bose, Shubhankar Kumar; Brand, Simon; Omoregie, Helen Oluwatola; Haehnel, Martin; Maier, Jonathan; Bringmann, Gerhard; Marder, Todd B.","Highly Efficient Synthesis of Alkylboronate Esters via Cu(II)-Catalyzed Borylation of Unactivated Alkyl Bromides and Chlorides in Air","ACS Catalysis","2016","6","12","8332","","10.1021/acscatal.6b02918","","","0.71073","MoKα","","0.03","0.0285","","","0.0723","0.0738","","","","","","1.044","","","","has coordinates","239487","2020-10-21","18:00:00",""
"4516724","9.019","0.005","14.953","0.009","20.897","0.013","86.86","0.03","85.15","0.02","89.96","0.04","2804","3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C31 H38 Cu N2 O4 -","- C31 H38 Cu N2 O4 -","- C124 H152 Cu4 N8 O16 -","4","2","","Bose, Shubhankar Kumar; Brand, Simon; Omoregie, Helen Oluwatola; Haehnel, Martin; Maier, Jonathan; Bringmann, Gerhard; Marder, Todd B.","Highly Efficient Synthesis of Alkylboronate Esters via Cu(II)-Catalyzed Borylation of Unactivated Alkyl Bromides and Chlorides in Air","ACS Catalysis","2016","6","12","8332","","10.1021/acscatal.6b02918","","","0.71073","MoKα","","0.0763","0.0481","","","0.1029","0.1156","","","","","","1.042","","","","has coordinates","239487","2020-10-21","18:00:00",""
"4516725","9.5117","0.0004","16.2069","0.0007","19.2829","0.0008","95.824","0.001","98.182","0.001","102.531","0.001","2845.1","0.2","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C138 H106 B6 O27 -","- C138 H106 B6 O27 -","- C138 H106 B6 O27 -","1","0.5","","Bose, Shubhankar Kumar; Brand, Simon; Omoregie, Helen Oluwatola; Haehnel, Martin; Maier, Jonathan; Bringmann, Gerhard; Marder, Todd B.","Highly Efficient Synthesis of Alkylboronate Esters via Cu(II)-Catalyzed Borylation of Unactivated Alkyl Bromides and Chlorides in Air","ACS Catalysis","2016","6","12","8332","","10.1021/acscatal.6b02918","","","0.71073","MoKα","","0.0628","0.0426","","","0.1085","0.1204","","","","","","1.022","","","","has coordinates","239487","2020-10-21","18:00:00",""
"4516748","5.9867","0.0007","13.6517","0.0015","8.5379","0.0009","90","","97.16","0.006","90","","692.35","0.13","100","","100","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C14 H22 O5 -","- C14 H22 O5 -","- C28 H44 O10 -","2","1","","Villaume, Matthew T.; Sella, Eran; Saul, Garrett; Borzilleri, Robert M.; Fargnoli, Joseph; Johnston, Kathy A.; Zhang, Haiying; Fereshteh, Mark P.; Dhar, T. G. Murali; Baran, Phil S.","Antroquinonol A: Scalable Synthesis and Preclinical Biology of a Phase 2 Drug Candidate.","ACS central science","2016","2","1","27","31","10.1021/acscentsci.5b00345","","x-ray","1.54178","CuKα","","0.0291","0.0287","","","0.0737","0.0743","","","","","","1.096","","","","has coordinates","239507","2020-10-21","18:00:00",""
"4516749","12.3053","0.0009","12.3053","0.0009","12.3053","0.0009","90","","90","","90","","1863.3","0.2","296","2","296","2","","","","","","","","5","I m -3","-I 2 2 3","204","MAPbI3","","","- C H6 I3 N Pb -","- C I3 N1.00005 Pb -","- C8 I24 N8.0004 Pb8 -","8","0.166667","","Jaffe, Adam; Lin, Yu; Beavers, Christine M.; Voss, Johannes; Mao, Wendy L.; Karunadasa, Hemamala I.","High-Pressure Single-Crystal Structures of 3D Lead-Halide Hybrid Perovskites and Pressure Effects on their Electronic and Optical Properties.","ACS central science","2016","2","4","201","209","10.1021/acscentsci.6b00055","","","0.35424","synchrotron","","0.1138","0.0949","","","0.2824","0.3255","","","","","","1.145","","","","has coordinates","239508","2020-10-21","18:00:00",""
"4516750","11.5","0.005","11.5","0.005","11.5","0.005","90","","90","","90","","1520.9","1.1","296","2","296","2","","","","","","","","5","I m -3","-I 2 2 3","204","","","","- C H6 Br3 N Pb -","- C0.9999 Br3 N0.9999 Pb -","- C7.9992 Br24 N7.9992 Pb8 -","8","0.166667","","Jaffe, Adam; Lin, Yu; Beavers, Christine M.; Voss, Johannes; Mao, Wendy L.; Karunadasa, Hemamala I.","High-Pressure Single-Crystal Structures of 3D Lead-Halide Hybrid Perovskites and Pressure Effects on their Electronic and Optical Properties.","ACS central science","2016","2","4","201","209","10.1021/acscentsci.6b00055","","","0.35424","synchrotron","","0.0891","0.0607","","","0.1562","0.1765","","","","","","1.197","","","","has coordinates","239509","2020-10-21","18:00:00",""
"4516751","5.9328","0.0014","5.9328","0.0014","5.9328","0.0014","90","","90","","90","","208.82","0.09","296","2","296","2","","","","","","","","5","P m -3 m","-P 4 2 3","221","","","","- C H6 Br3 N Pb -","- C0.9998 Br3 N0.9998 Pb -","- C0.9998 Br3 N0.9998 Pb -","1","0.0208333","","Jaffe, Adam; Lin, Yu; Beavers, Christine M.; Voss, Johannes; Mao, Wendy L.; Karunadasa, Hemamala I.","High-Pressure Single-Crystal Structures of 3D Lead-Halide Hybrid Perovskites and Pressure Effects on their Electronic and Optical Properties.","ACS central science","2016","2","4","201","209","10.1021/acscentsci.6b00055","","","0.7293","synchrotron","","0.0153","0.0153","","","0.0408","0.0408","","","","","","1.274","","","","has coordinates,has disorder","239510","2020-10-21","18:00:00",""
"4516752","12.4984","0.0007","12.5181","0.0007","12.6012","0.0008","90","","90","","90","","1971.5","0.2","296","2","296","2","","","","","","","","5","F m m m","-F 2 2","69","","","","- C H6 I3 N Pb -","- C I3 N Pb -","- C8 I24 N8 Pb8 -","8","0.25","","Jaffe, Adam; Lin, Yu; Beavers, Christine M.; Voss, Johannes; Mao, Wendy L.; Karunadasa, Hemamala I.","High-Pressure Single-Crystal Structures of 3D Lead-Halide Hybrid Perovskites and Pressure Effects on their Electronic and Optical Properties.","ACS central science","2016","2","4","201","209","10.1021/acscentsci.6b00055","","","0.6888","synchrotron","","0.0731","0.0555","","","0.1831","0.1948","","","","","","1.114","","","","has coordinates","239511","2020-10-21","18:00:00",""
"4516753","10.90121","0.00007","15.32686","0.00008","23.05188","0.00014","90","","103.525","0.0006","90","","3744.73","0.04","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C22 H20 N3 O S -","- C22 H20 N3 O S -","- C176 H160 N24 O8 S8 -","8","2","","Williamson, Alice E.; Ylioja, Paul M.; Robertson, Murray N.; Antonova-Koch, Yevgeniya; Avery, Vicky; Baell, Jonathan B.; Batchu, Harikrishna; Batra, Sanjay; Burrows, Jeremy N.; Bhattacharyya, Soumya; Calderon, Felix; Charman, Susan A.; Clark, Julie; Crespo, Benigno; Dean, Matin; Debbert, Stefan L.; Delves, Michael; Dennis, Adelaide S. M.; Deroose, Frederik; Duffy, Sandra; Fletcher, Sabine; Giaever, Guri; Hallyburton, Irene; Gamo, Francisco-Javier; Gebbia, Marinella; Guy, R. Kiplin; Hungerford, Zoe; Kirk, Kiaran; Lafuente-Monasterio, Maria J; Lee, Anna; Meister, Stephan; Nislow, Corey; Overington, John P.; Papadatos, George; Patiny, Luc; Pham, James; Ralph, Stuart A.; Ruecker, Andrea; Ryan, Eileen; Southan, Christopher; Srivastava, Kumkum; Swain, Chris; Tarnowski, Matthew J.; Thomson, Patrick; Turner, Peter; Wallace, Iain M.; Wells, Timothy N. C.; White, Karen; White, Laura; Willis, Paul; Winzeler, Elizabeth A.; Wittlin, Sergio; Todd, Matthew H.","Open Source Drug Discovery: Highly Potent Antimalarial Compounds Derived from the Tres Cantos Arylpyrroles.","ACS central science","2016","2","10","687","701","10.1021/acscentsci.6b00086","","","1.5418","CuKα","","0.0468","0.0434","","","0.1217","0.1249","","","","","","1.48","","","","has coordinates","239512","2020-10-21","18:00:00",""
"4516754","14.8484","0.0007","7.4553","0.0003","19.0765","0.0008","90","","91.789","0.004","90","","2110.73","0.16","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C24 H20 F N3 O2 S -","- C24 H20 F N3 O2 S -","- C96 H80 F4 N12 O8 S4 -","4","1","","Williamson, Alice E.; Ylioja, Paul M.; Robertson, Murray N.; Antonova-Koch, Yevgeniya; Avery, Vicky; Baell, Jonathan B.; Batchu, Harikrishna; Batra, Sanjay; Burrows, Jeremy N.; Bhattacharyya, Soumya; Calderon, Felix; Charman, Susan A.; Clark, Julie; Crespo, Benigno; Dean, Matin; Debbert, Stefan L.; Delves, Michael; Dennis, Adelaide S. M.; Deroose, Frederik; Duffy, Sandra; Fletcher, Sabine; Giaever, Guri; Hallyburton, Irene; Gamo, Francisco-Javier; Gebbia, Marinella; Guy, R. Kiplin; Hungerford, Zoe; Kirk, Kiaran; Lafuente-Monasterio, Maria J; Lee, Anna; Meister, Stephan; Nislow, Corey; Overington, John P.; Papadatos, George; Patiny, Luc; Pham, James; Ralph, Stuart A.; Ruecker, Andrea; Ryan, Eileen; Southan, Christopher; Srivastava, Kumkum; Swain, Chris; Tarnowski, Matthew J.; Thomson, Patrick; Turner, Peter; Wallace, Iain M.; Wells, Timothy N. C.; White, Karen; White, Laura; Willis, Paul; Winzeler, Elizabeth A.; Wittlin, Sergio; Todd, Matthew H.","Open Source Drug Discovery: Highly Potent Antimalarial Compounds Derived from the Tres Cantos Arylpyrroles.","ACS central science","2016","2","10","687","701","10.1021/acscentsci.6b00086","","","1.5418","CuKα","","0.0538","0.0408","","","0.1008","0.1093","","","","","","1.101","","","","has coordinates","239513","2020-10-21","18:00:00",""
"4516755","10.1845","0.0003","14.5371","0.0003","17.6442","0.0004","85.8106","0.0018","79.751","0.002","75.672","0.002","2489.48","0.11","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C28 H26 F3 N3 O S -","- C28 H26 F3 N3 O S -","- C112 H104 F12 N12 O4 S4 -","4","2","","Williamson, Alice E.; Ylioja, Paul M.; Robertson, Murray N.; Antonova-Koch, Yevgeniya; Avery, Vicky; Baell, Jonathan B.; Batchu, Harikrishna; Batra, Sanjay; Burrows, Jeremy N.; Bhattacharyya, Soumya; Calderon, Felix; Charman, Susan A.; Clark, Julie; Crespo, Benigno; Dean, Matin; Debbert, Stefan L.; Delves, Michael; Dennis, Adelaide S. M.; Deroose, Frederik; Duffy, Sandra; Fletcher, Sabine; Giaever, Guri; Hallyburton, Irene; Gamo, Francisco-Javier; Gebbia, Marinella; Guy, R. Kiplin; Hungerford, Zoe; Kirk, Kiaran; Lafuente-Monasterio, Maria J; Lee, Anna; Meister, Stephan; Nislow, Corey; Overington, John P.; Papadatos, George; Patiny, Luc; Pham, James; Ralph, Stuart A.; Ruecker, Andrea; Ryan, Eileen; Southan, Christopher; Srivastava, Kumkum; Swain, Chris; Tarnowski, Matthew J.; Thomson, Patrick; Turner, Peter; Wallace, Iain M.; Wells, Timothy N. C.; White, Karen; White, Laura; Willis, Paul; Winzeler, Elizabeth A.; Wittlin, Sergio; Todd, Matthew H.","Open Source Drug Discovery: Highly Potent Antimalarial Compounds Derived from the Tres Cantos Arylpyrroles.","ACS central science","2016","2","10","687","701","10.1021/acscentsci.6b00086","","","1.5418","CuKα","","0.0568","0.0497","","","0.1281","0.1336","","","","","","1.362","","","","has coordinates,has disorder","239514","2020-10-21","18:00:00",""
"4516756","8.7272","0.0002","11.5408","0.0002","12.2161","0.0002","85.6","0.002","78.315","0.002","72.701","0.002","1150.21","0.04","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C25 H19 F3 N4 O S -","- C25 H19 F3.00001 N4 O S -","- C50 H38 F6.00001 N8 O2 S2 -","2","1","","Williamson, Alice E.; Ylioja, Paul M.; Robertson, Murray N.; Antonova-Koch, Yevgeniya; Avery, Vicky; Baell, Jonathan B.; Batchu, Harikrishna; Batra, Sanjay; Burrows, Jeremy N.; Bhattacharyya, Soumya; Calderon, Felix; Charman, Susan A.; Clark, Julie; Crespo, Benigno; Dean, Matin; Debbert, Stefan L.; Delves, Michael; Dennis, Adelaide S. M.; Deroose, Frederik; Duffy, Sandra; Fletcher, Sabine; Giaever, Guri; Hallyburton, Irene; Gamo, Francisco-Javier; Gebbia, Marinella; Guy, R. Kiplin; Hungerford, Zoe; Kirk, Kiaran; Lafuente-Monasterio, Maria J; Lee, Anna; Meister, Stephan; Nislow, Corey; Overington, John P.; Papadatos, George; Patiny, Luc; Pham, James; Ralph, Stuart A.; Ruecker, Andrea; Ryan, Eileen; Southan, Christopher; Srivastava, Kumkum; Swain, Chris; Tarnowski, Matthew J.; Thomson, Patrick; Turner, Peter; Wallace, Iain M.; Wells, Timothy N. C.; White, Karen; White, Laura; Willis, Paul; Winzeler, Elizabeth A.; Wittlin, Sergio; Todd, Matthew H.","Open Source Drug Discovery: Highly Potent Antimalarial Compounds Derived from the Tres Cantos Arylpyrroles.","ACS central science","2016","2","10","687","701","10.1021/acscentsci.6b00086","","","1.5418","CuKα","","0.0569","0.0559","","","0.1331","0.1338","","","","","","1.121","","","","has coordinates,has disorder","239515","2020-10-21","18:00:00",""
"4516757","6.4617","0.0002","18.6546","0.0007","9.1924","0.0004","90","","94.833","0.001","90","","1104.12","0.07","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C9 H7 Cl F3 I O2 -","- C9 H7 Cl F3 I O2 -","- C36 H28 Cl4 F12 I4 O8 -","4","1","","Brantley, Johnathan N.; Samant, Andrew V.; Toste, F. Dean","Isolation and Reactivity of Trifluoromethyl Iodonium Salts.","ACS central science","2016","2","5","341","350","10.1021/acscentsci.6b00119","","","0.71073","MoKα","","0.039","0.0376","","","0.0998","0.1013","","","","","","1.059","","","","has coordinates","239516","2020-10-21","18:00:00",""
"4516758","15.989","0.0009","8.7606","0.0005","19.0524","0.0011","90","","93.788","0.003","90","","2662.9","0.3","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C10 H11 B F7 I O S0 -","- C10 H11 B F7 I O -","- C80 H88 B8 F56 I8 O8 -","8","2","","Brantley, Johnathan N.; Samant, Andrew V.; Toste, F. Dean","Isolation and Reactivity of Trifluoromethyl Iodonium Salts.","ACS central science","2016","2","5","341","350","10.1021/acscentsci.6b00119","","","0.71073","MoKα","","0.0565","0.048","","","0.1144","0.12","","","","","","1.092","","","","has coordinates","239517","2020-10-21","18:00:00",""
"4516759","18.8002","0.0013","16.2335","0.0011","15.7805","0.0011","90","","108.884","0.001","90","","4556.9","0.5","100","2","100","2","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C8.5 H5.75 Cl F3 I N0.25 O2 -","- C8.5 H5.75 Cl F3 I N0.25 O2 -","- C136 H92 Cl16 F48 I16 N4 O32 -","16","4","","Brantley, Johnathan N.; Samant, Andrew V.; Toste, F. Dean","Isolation and Reactivity of Trifluoromethyl Iodonium Salts.","ACS central science","2016","2","5","341","350","10.1021/acscentsci.6b00119","","","0.71073","MoKα","","0.0291","0.028","","","0.0684","0.0692","","","","","","1.126","","","","has coordinates","239518","2020-10-21","18:00:00",""
"4516760","12.0089","0.0004","25.0752","0.0009","12.5156","0.0004","90","","115.465","0.001","90","","3402.6","0.2","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C12 H13 Cl F7 I Si -","- C12 H13 Cl F7 I Si -","- C96 H104 Cl8 F56 I8 Si8 -","8","2","","Brantley, Johnathan N.; Samant, Andrew V.; Toste, F. Dean","Isolation and Reactivity of Trifluoromethyl Iodonium Salts.","ACS central science","2016","2","5","341","350","10.1021/acscentsci.6b00119","","","0.71073","MoKα","","0.0263","0.0246","","","0.0561","0.0569","","","","","","1.095","","","","has coordinates","239519","2020-10-21","18:00:00",""
"4516761","8.1777","0.0004","17.9834","0.0008","8.8898","0.0004","90","","115.825","0.001","90","","1176.79","0.09","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C10 H11 Cl F3 I O -","- C10 H11 Cl F3 I O -","- C40 H44 Cl4 F12 I4 O4 -","4","1","","Brantley, Johnathan N.; Samant, Andrew V.; Toste, F. Dean","Isolation and Reactivity of Trifluoromethyl Iodonium Salts.","ACS central science","2016","2","5","341","350","10.1021/acscentsci.6b00119","","","0.71073","MoKα","","0.0401","0.0376","","","0.0784","0.0793","","","","","","1.319","","","","has coordinates","239520","2020-10-21","18:00:00",""
"4516762","11.2059","0.0011","13.8263","0.0013","9.0501","0.0009","90","","94.868","0.002","90","","1397.1","0.2","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C12 H13 Cl F3 I O2 -","- C12 H13 Cl F3 I O2 -","- C48 H52 Cl4 F12 I4 O8 -","4","1","","Brantley, Johnathan N.; Samant, Andrew V.; Toste, F. Dean","Isolation and Reactivity of Trifluoromethyl Iodonium Salts.","ACS central science","2016","2","5","341","350","10.1021/acscentsci.6b00119","","","0.71073","MoKα","","0.03","0.0262","","","0.0623","0.0647","","","","","","1.138","","","","has coordinates","239521","2020-10-21","18:00:00",""
"4516763","17.8318","0.0007","17.9175","0.0007","20.2085","0.0008","90","","90","","90","","6456.6","0.4","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C34 H44 N4 O S -","- C34 H44 N4 O S -","- C272 H352 N32 O8 S8 -","8","2","","Kennedy, C. Rose; Guidera, Jennifer A.; Jacobsen, Eric N.","Synergistic Ion-Binding Catalysis Demonstrated via an Enantioselective, Catalytic [2,3]-Wittig Rearrangement.","ACS central science","2016","2","6","416","423","10.1021/acscentsci.6b00125","","","0.71073","MoKα","","0.063","0.0403","","","0.0751","0.0817","","","","","","1.014","","","","has coordinates","239522","2020-10-21","18:00:00",""
"4516764","11.9463","0.0005","14.2569","0.0006","12.379","0.0005","90","","115.498","0.0007","90","","1903","0.14","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C39 H56 N4 O2 S -","- C39 H56 N4 O2 S -","- C78 H112 N8 O4 S2 -","2","1","","Kennedy, C. Rose; Guidera, Jennifer A.; Jacobsen, Eric N.","Synergistic Ion-Binding Catalysis Demonstrated via an Enantioselective, Catalytic [2,3]-Wittig Rearrangement.","ACS central science","2016","2","6","416","423","10.1021/acscentsci.6b00125","","","0.71073","MoKα","","0.0986","0.0898","","","0.1818","0.1864","","","","","","1.07","","","","has coordinates,has disorder","239522","2020-10-21","18:00:00",""
"4516765","5.6658","0.0001","13.9473","0.0003","16.7395","0.0004","90","","90","","90","","1322.8","0.05","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C14 H16 O5 -","- C14 H16 O5 -","- C56 H64 O20 -","4","1","","Kennedy, C. Rose; Guidera, Jennifer A.; Jacobsen, Eric N.","Synergistic Ion-Binding Catalysis Demonstrated via an Enantioselective, Catalytic [2,3]-Wittig Rearrangement.","ACS central science","2016","2","6","416","423","10.1021/acscentsci.6b00125","","","1.54178","CuKα","","0.0287","0.0279","","","0.0701","0.0707","","","","","","1.04","","","","has coordinates,has disorder","239522","2020-10-21","18:00:00",""
"4516766","5.9577","0.0003","24.1397","0.0013","9.4019","0.0005","90","","90","","90","","1352.15","0.12","100","2","100","2","","","","","","","","4","P b c m","-P 2c 2b","57","","","","- C11 H19 Cs O4 -","- C11 H19 Cs O4 -","- C44 H76 Cs4 O16 -","4","0.5","","Kennedy, C. Rose; Guidera, Jennifer A.; Jacobsen, Eric N.","Synergistic Ion-Binding Catalysis Demonstrated via an Enantioselective, Catalytic [2,3]-Wittig Rearrangement.","ACS central science","2016","2","6","416","423","10.1021/acscentsci.6b00125","","","0.71073","MoKα","","0.0506","0.0291","","","0.0412","0.0453","","","","","","1.07","","","","has coordinates,has disorder","239522","2020-10-21","18:00:00",""
"4516767","17.5978","0.0005","17.5978","0.0005","10.1363","0.0004","90","","90","","120","","2718.48","0.15","100","2","100","2","","","","","","","","5","P 61","P 61","169","azide_6b","azide_6b","","- C16 H16 F3 N3 O6 -","- C16 H16 F3 N3 O6 -","- C96 H96 F18 N18 O36 -","6","1","","Karimov, Rashad R.; Sharma, Ankit; Hartwig, John F.","Late Stage Azidation of Complex Molecules.","ACS central science","2016","2","10","715","724","10.1021/acscentsci.6b00214","","","1.54178","CuKα","","0.0467","0.0453","","","0.1389","0.1404","","","","","","1.17","","","","has coordinates","239523","2020-10-21","18:00:00",""
"4516768","6.1715","0.0003","10.419","0.0006","22.9681","0.0013","90","","90","","90","","1476.87","0.14","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","azide_3h","azide_3h","","- C15 H23 N3 O3 -","- C15 H23 N3 O3 -","- C60 H92 N12 O12 -","4","1","","Karimov, Rashad R.; Sharma, Ankit; Hartwig, John F.","Late Stage Azidation of Complex Molecules.","ACS central science","2016","2","10","715","724","10.1021/acscentsci.6b00214","","","1.54178","CuKα","","0.0301","0.0299","","","0.0825","0.0826","","","","","","1.104","","","","has coordinates","239524","2020-10-21","18:00:00",""
"4516769","12.8744","0.0007","11.4434","0.0007","13.9437","0.0008","90","","107.307","0.002","90","","1961.3","0.2","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","azide_6c","azide_6c","","- C45 H58 F3 N3 O4 -","- C45 H58 F3 N3 O4 -","- C90 H116 F6 N6 O8 -","2","1","","Karimov, Rashad R.; Sharma, Ankit; Hartwig, John F.","Late Stage Azidation of Complex Molecules.","ACS central science","2016","2","10","715","724","10.1021/acscentsci.6b00214","","","1.54178","CuKα","","0.0395","0.0382","","","0.103","0.1041","","","","","","1.039","","","","has coordinates","239525","2020-10-21","18:00:00",""
"4516770","10.1594","0.0005","6.5226","0.0003","11.7589","0.0005","90","","100.773","0.003","90","","765.48","0.06","200","2","200","2","","","","","","","","4","P 1 21 1","P 2yb","4","azide_3f","azide_3f","","- C15 H23 N3 O3 -","- C15 H23 N3 O3 -","- C30 H46 N6 O6 -","2","1","","Karimov, Rashad R.; Sharma, Ankit; Hartwig, John F.","Late Stage Azidation of Complex Molecules.","ACS central science","2016","2","10","715","724","10.1021/acscentsci.6b00214","","","1.54178","CuKα","","0.0559","0.048","","","0.1239","0.131","","","","","","1.071","","","","has coordinates","239526","2020-10-21","18:00:00",""
"4516771","9.591","0.0006","10.1778","0.0006","11.4314","0.0007","90","","102.57","0.002","90","","1089.13","0.12","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","azide_6f","azide_6f","","- C24 H26 F3 N5 O4 -","- C24 H26 F3 N5 O4 -","- C48 H52 F6 N10 O8 -","2","1","","Karimov, Rashad R.; Sharma, Ankit; Hartwig, John F.","Late Stage Azidation of Complex Molecules.","ACS central science","2016","2","10","715","724","10.1021/acscentsci.6b00214","","","1.54178","CuKα","","0.0291","0.0291","","","0.0766","0.0767","","","","","","1.034","","","","has coordinates","239527","2020-10-21","18:00:00",""
"4516772","17.681","0.002","5.8685","0.0007","14.2464","0.0019","90","","98.134","0.008","90","","1463.3","0.3","100","2","100","2","","","","","","","","4","C 1 2 1","C 2y","5","azide_3g","azide_3g","","- C15 H23 N3 O3 -","- C15 H23 N3 O3 -","- C60 H92 N12 O12 -","4","1","","Karimov, Rashad R.; Sharma, Ankit; Hartwig, John F.","Late Stage Azidation of Complex Molecules.","ACS central science","2016","2","10","715","724","10.1021/acscentsci.6b00214","","","1.54178","CuKα","","0.0456","0.0433","","","0.1121","0.1151","","","","","","1.063","","","","has coordinates","239528","2020-10-21","18:00:00",""
"4516773","7.9614","0.0005","10.5937","0.0007","17.3592","0.0011","90","","93.179","0.003","90","","1461.83","0.16","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","azide_6e","azide_6e","","- C27 H38 F3 N3 O9 -","- C27 H38 F3 N3 O9 -","- C54 H76 F6 N6 O18 -","2","1","","Karimov, Rashad R.; Sharma, Ankit; Hartwig, John F.","Late Stage Azidation of Complex Molecules.","ACS central science","2016","2","10","715","724","10.1021/acscentsci.6b00214","","","1.54178","CuKα","","0.0394","0.0386","","","0.105","0.1056","","","","","","1.057","","","","has coordinates","239529","2020-10-21","18:00:00",""
"4516774","5.8607","0.0003","13.4039","0.0007","18.8487","0.001","90","","90","","90","","1480.68","0.13","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","azide_3i","azide_3i","","- C15 H25 N3 O -","- C15 H25 N3 O -","- C60 H100 N12 O4 -","4","1","","Karimov, Rashad R.; Sharma, Ankit; Hartwig, John F.","Late Stage Azidation of Complex Molecules.","ACS central science","2016","2","10","715","724","10.1021/acscentsci.6b00214","","","1.54178","CuKα","","0.0309","0.03","","","0.0779","0.0785","","","","","","1.06","","","","has coordinates","239530","2020-10-21","18:00:00",""
"4516775","8.1836","0.0002","10.5248","0.0002","13.9957","0.0003","90","","103.058","0.001","90","","1174.29","0.04","200","2","200","2","","","","","","","","4","P 1 21 1","P 2yb","4","azide_4c","azide_4c","","- C22 H26 N6 O7 -","- C22 H26 N6 O7 -","- C44 H52 N12 O14 -","2","1","","Karimov, Rashad R.; Sharma, Ankit; Hartwig, John F.","Late Stage Azidation of Complex Molecules.","ACS central science","2016","2","10","715","724","10.1021/acscentsci.6b00214","","","1.54178","CuKα","","0.0439","0.0387","","","0.0963","0.1005","","","","","","1.043","","","","has coordinates,has disorder","239531","2020-10-21","18:00:00",""
"4516776","9.7605","0.0008","11.09","0.0009","13.2025","0.0011","109.848","0.004","103.373","0.004","96.594","0.004","1278.22","0.19","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C25 H40 Co N O P2 -","- C25 H40 Co N O P2 -","- C50 H80 Co2 N2 O2 P4 -","2","1","","Neely, Jamie M.; Bezdek, Máté J; Chirik, Paul J.","Insight into Transmetalation Enables Cobalt-Catalyzed Suzuki-Miyaura Cross Coupling.","ACS central science","2016","2","12","935","942","10.1021/acscentsci.6b00283","","","0.71073","MoKα","","0.0311","0.0262","","","0.0663","0.0691","","","","","","1.057","","","","has coordinates","239532","2020-10-21","18:00:00",""
"4516777","10.439","0.0004","10.563","0.0003","13.6925","0.0005","67.685","0.001","73.201","0.001","74.555","0.001","1316.09","0.08","106","2","106","2","","","","","","","","6","P -1","-P 1","2","","","","- C26 H40 Co N O2 P2 -","- C26 H40 Co N O2 P2 -","- C52 H80 Co2 N2 O4 P4 -","2","1","","Neely, Jamie M.; Bezdek, Máté J; Chirik, Paul J.","Insight into Transmetalation Enables Cobalt-Catalyzed Suzuki-Miyaura Cross Coupling.","ACS central science","2016","2","12","935","942","10.1021/acscentsci.6b00283","","","0.71073","MoKα","","0.0272","0.0251","","","0.0661","0.0677","","","","","","1.058","","","","has coordinates","239532","2020-10-21","18:00:00",""
"4516778","12.171","0.002","12.756","0.002","17.977","0.003","90","","102.445","0.007","90","","2725.4","0.8","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C27 H40 Co N O P2 -","- C27 H40 Co N O P2 -","- C108 H160 Co4 N4 O4 P8 -","4","1","","Neely, Jamie M.; Bezdek, Máté J; Chirik, Paul J.","Insight into Transmetalation Enables Cobalt-Catalyzed Suzuki-Miyaura Cross Coupling.","ACS central science","2016","2","12","935","942","10.1021/acscentsci.6b00283","","","0.71073","MoKα","","0.0542","0.0366","","","0.0824","0.0906","","","","","","1.046","","","","has coordinates","239532","2020-10-21","18:00:00",""
"4516779","21.8371","0.0005","9.5233","0.0002","15.8508","0.0003","90","","98.396","0.001","90","","3261.02","0.12","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C33 H45 Co N O4 P2 -","- C33 H45 Co N O4 P2 -","- C132 H180 Co4 N4 O16 P8 -","4","0.5","","Neely, Jamie M.; Bezdek, Máté J; Chirik, Paul J.","Insight into Transmetalation Enables Cobalt-Catalyzed Suzuki-Miyaura Cross Coupling.","ACS central science","2016","2","12","935","942","10.1021/acscentsci.6b00283","","","1.54178","CuKα","","0.0309","0.0276","","","0.0787","0.0974","","","","","","1.254","","","","has coordinates,has disorder","239532","2020-10-21","18:00:00",""
"4516780","10.1526","0.0004","11.188","0.0004","11.4068","0.0004","90","","94.395","0.001","90","","1291.86","0.08","100","2","100","2","","","","","","","","9","P 1 21 1","P 2yb","4","","","","- C40 H70 Cl2 Co2 F6 N2 O6 P4 S2 -","- C40 H70 Cl2 Co2 F6 N2 O6 P4 S2 -","- C40 H70 Cl2 Co2 F6 N2 O6 P4 S2 -","1","0.5","","Neely, Jamie M.; Bezdek, Máté J; Chirik, Paul J.","Insight into Transmetalation Enables Cobalt-Catalyzed Suzuki-Miyaura Cross Coupling.","ACS central science","2016","2","12","935","942","10.1021/acscentsci.6b00283","","","1.54178","CuKα","","0.0633","0.0628","","","0.1785","0.1793","","","","","","1.117","","","","has coordinates","239532","2020-10-21","18:00:00",""
"4516804","11.359","0.005","21.291","0.01","9.219","0.004","90","0","97.196","0.006","90","0","2212","1.7","153","2","153","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H23 N2 O5 P -","- C24 H23 N2 O5 P -","- C96 H92 N8 O20 P4 -","4","1","","Mitchell, Lauren A.; Holliday, Bradley J.","Polymeric Materials for the Separation of f-Elements Utilizing Carbamoylmethylphosphine Oxide Chelating Ligands","ACS Macro Letters","2016","5","10","1100","","10.1021/acsmacrolett.6b00596","","","0.71069","MoKα","","0.0744","0.0529","","","0.1248","0.136","","","","","","1.073","","","","has coordinates","239553","2020-10-21","18:00:00",""
"4516817","7.7704","0.0005","16.1957","0.001","10.2976","0.0006","90","","90.612","0.002","90","","1295.85","0.14","120","","120","","","","","","","","","6","P 1 m 1","P -2y","6","","","","- C24.75 H29 Cl2 N2 O2.75 S2 -","- C24.75 H29 Cl2 N2 O2.75 S2 -","- C49.5 H58 Cl4 N4 O5.5 S4 -","2","1","","Zhang, Wei; Gan, Shiyu; Vezzoli, Andrea; Davidson, Ross J.; Milan, David C.; Luzyanin, Konstantin V.; Higgins, Simon J.; Nichols, Richard J.; Beeby, Andrew; Low, Paul J.; Li, Buyi; Niu, Li","Single-Molecule Conductance of Viologen-Cucurbit[8]uril Host-Guest Complexes.","ACS nano","2016","10","5","5212","5220","10.1021/acsnano.6b00786","","x-ray","0.71073","MoKα","","0.0486","0.0416","","","0.1105","0.1145","","","","","","1.035","","","","has coordinates,has disorder","239565","2020-10-21","18:00:00",""
"4516827","12.921","0.0016","11.018","0.002","8.199","0.003","90","","93.83","0.03","90","","1164.6","0.5","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C10 H6 Dy N O8 -","- C10 H6 Dy N O8 -","- C40 H24 Dy4 N4 O32 -","4","1","","Liu, Cai-Ming; Zhang, Deqing; Hao, Xiang; Zhu, Dao-Ben","Field-Induced Relaxation of Magnetization in a Three-Dimensional LnMOF with the Second Bridging Ligand Squarate.","ACS omega","2016","1","2","286","292","10.1021/acsomega.6b00083","","","0.71073","MoKα","","0.0271","0.0268","","","0.0662","0.0665","","","","","","1.175","","","","has coordinates","239571","2020-10-21","18:00:00",""
"4516828","9.2469","0.0004","10.8452","0.0004","11.8162","0.0005","102.96","0.004","104.714","0.004","107.837","0.004","1030.64","0.09","291","","291","","","","","","","","","4","P -1","-P 1","2","","2-(1-(1-cyclohexyl-1H-tetrazol-5-yl)-2,2-dimethylpropyl)-3-oxoisoindoline-4-carboxylic acid","","- C21 H27 N5 O3 -","- C21 H27 N5 O3 -","- C42 H54 N10 O6 -","2","1","","Rentería-Gómez, Angel; Islas-Jácome, Alejandro; Cruz-Jiménez, Alicia E; Manzano-Velázquez, Jessica C; Rojas-Lima, Susana; Jiménez-Halla, J Oscar C; Gámez-Montaño, Rocío","Synthesis of 2-Tetrazolylmethyl-isoindolin-1-ones via a One-Pot Ugi-Azide/(N-Acylation/<i>exo</i>-Diels-Alder)/Dehydration Process.","ACS omega","2016","1","5","943","951","10.1021/acsomega.6b00281","","x-ray","1.54184","CuKα","","0.0513","0.0416","","","0.1131","0.1231","","","","","","1.038","","","","has coordinates","239572","2020-10-21","18:00:00",""
"4516829","14.4182","0.0018","6.3712","0.0008","17.213","0.002","90","","90.972","0.001","90","","1581","0.3","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C16 H16 Cl N O2 S -","- C16 H16 Cl N O2 S -","- C64 H64 Cl4 N4 O8 S4 -","4","1","","He, Xinwei; Zhou, Yao; Shang, Yongjia; Yang, Cheng; Zuo, Youpeng","Synthesis of 2-Arylimino-6,7-dihydrobenzo[<i>d</i>][1,3]oxathiol-4(5<i>H</i>)-ones via Rh<sub>2</sub>(OAc)<sub>4</sub>-Catalyzed Reactions of Cyclic 2-Diazo-1,3-diketones with Aryl Isothiocyanates.","ACS omega","2016","1","6","1277","1283","10.1021/acsomega.6b00295","","","0.71073","MoKα","","0.0445","0.0372","","","0.1013","0.1073","","","","","","1.054","","","","has coordinates","239573","2020-10-21","18:00:00",""
"4517002","31.769","0.0009","8.9771","0.0002","32.5469","0.001","90","","110.34","0.003","90","","8703.4","0.4","298","2","298","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C173 H226 Cu4 N12 O31 -","- C173 H226 Cu4 N12 O31 -","- C346 H452 Cu8 N24 O62 -","2","0.5","","Dey, Gourab; Venkateswarulu, Mangili; Vivekananthan, Venkateswaran; Pramanik, Avijit; Krishnan, Venkata; Koner, Rik Rani","Sub-Picomolar Recognition of Cr3+ through Bioinspired Organic‒Inorganic Ensemble Utilization","ACS Sensors","2016","1","6","663","","10.1021/acssensors.6b00046","","","1.54184","CuKα","","0.098","0.091","","","0.3327","0.3408","","","","","","1.093","","","","has coordinates","239684","2020-10-21","18:00:00",""
"4517003","11.5414","0.0003","12.288","0.0006","10.9161","0.0005","90","","115.252","0.002","90","","1400.19","0.1","298","2","298","","","","100","","","","LAPESSB","5","P 1 21/c 1","-P 2ybc","14","Crystal_OP18","N'[(1E)-(4-methoxyphenyl)methylidene]benzenesulfonohydrazide","","- C14 H14 N2 O3 S -","- C14 H14 N2 O3 S -","- C56 H56 N8 O12 S4 -","4","1","","Cunha, Micael R.; Tavares, Maurício T.; Carvalho, Camila F.; Silva, Nuno A. T.; Souza, Alfredo D. F.; Pereira, Gustavo J. V.; Ferreira, Fábio F.; Parise-Filho, Roberto","Environmentally Safe Condition for the Synthesis of Aryl and Alkyl Sulfonyl Hydrazones via One-Pot Reaction","ACS Sustainable Chemistry & Engineering","2016","4","4","1899","","10.1021/acssuschemeng.6b00193","powder diffraction","x-ray","0.70926","MoKα~1~","","","","","","","","","0.0295","1.637","","","","","","","has coordinates","239685","2020-10-21","18:00:00",""
"4517004","5.6317","0.0006","7.7476","0.0008","11.7256","0.0013","96.036","0.003","92.324","0.004","104.799","0.003","490.69","0.09","120","2","120","2","","","","","","","","3","P -1","-P 1","2","","","","- C11 H10 O5 -","- C11 H10 O5 -","- C22 H20 O10 -","2","1","","Wilson, Jedediah; Chen, Eugene Y.-X.","Organocatalytic Cross-Coupling of Biofuranics to Multifunctional Difuranic C11 Building Blocks","ACS Sustainable Chemistry & Engineering","2016","4","9","4927","","10.1021/acssuschemeng.6b01235","","","0.71073","MoKα","","0.0461","0.0404","","","0.1078","0.1221","","","","","","1.089","","","","has coordinates","239686","2020-10-21","18:00:00",""
"4517005","41.6712","0.0009","9.02761","0.00018","26.1878","0.0005","90","","128.247","0.0009","90","","7737","0.3","173","","173","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C38 H48 N6 O13 -","- C38 H48 N6 O13 -","- C304 H384 N48 O104 -","8","1","","Udagawa, Akihiro; Johnston, Priscilla; Uekusa, Hidehiro; Koshima, Hideko; Saito, Kei; Asahi, Toru","Solid-State Photochemical Reaction of Multisubstituted Thymine Derivatives","ACS Sustainable Chemistry & Engineering","2016","4","11","6107","","10.1021/acssuschemeng.6b01529","","","1.54187","CuKα","","0.0787","0.0685","","","0.2005","0.2137","","","","","","1.102","","","","has coordinates","239687","2020-10-21","18:00:00",""
"4517006","11.0679","0.0005","13.2125","0.0005","16.1614","0.0007","90","","106.704","0.003","90","","2263.63","0.17","173","","173","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C46 H54 N8 O16 -","- C46 H54 N8 O16 -","- C92 H108 N16 O32 -","2","0.5","","Udagawa, Akihiro; Johnston, Priscilla; Uekusa, Hidehiro; Koshima, Hideko; Saito, Kei; Asahi, Toru","Solid-State Photochemical Reaction of Multisubstituted Thymine Derivatives","ACS Sustainable Chemistry & Engineering","2016","4","11","6107","","10.1021/acssuschemeng.6b01529","","","1.54187","CuKα","","0.0719","0.0595","","","0.167","0.1803","","","","","","1.083","","","","has coordinates","239688","2020-10-21","18:00:00",""
"4517007","10.943","0.0007","12.7063","0.0008","19.0931","0.0012","90","","95.517","0.003","90","","2642.5","0.3","173","","173","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C26 H32 N4 O9 -","- C26 H32 N4 O9 -","- C104 H128 N16 O36 -","4","1","","Udagawa, Akihiro; Johnston, Priscilla; Uekusa, Hidehiro; Koshima, Hideko; Saito, Kei; Asahi, Toru","Solid-State Photochemical Reaction of Multisubstituted Thymine Derivatives","ACS Sustainable Chemistry & Engineering","2016","4","11","6107","","10.1021/acssuschemeng.6b01529","","","1.54187","CuKα","","0.1267","0.0944","","","0.2531","0.2997","","","","","","1.144","","","","has coordinates","239689","2020-10-21","18:00:00",""
"7035321","14.1067","0.0007","14.571","0.0005","14.6081","0.0005","105.957","0.003","94.745","0.003","118.726","0.004","2448.1","0.2","123.01","0.1","123.01","0.1","","","","","","","","3","P -1","-P 1","2","","","","- C62 H73 Mn -","- C62 H73 Mn -","- C124 H146 Mn2 -","2","1","","Heinl, Sebastian; Balázs, Gábor; Bodensteiner, Michael; Scheer, Manfred","Synthesis and characterization of manganese triple-decker complexes.","Dalton transactions (Cambridge, England : 2003)","2016","45","5","1962","1966","10.1039/c5dt01750e","","x-ray","1.54178","CuKα","","0.0484","0.042","","","0.111","0.1163","","","","","","1.041","","","","has coordinates,has disorder","176076","2020-10-21","18:00:00",""
"7035322","17.118","0.00015","23.57334","0.00016","17.22285","0.00014","90","","110.997","0.001","90","","6488.42","0.1","123","1","123","0.2","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","","","- C152 H178 Mn2 P4.7 -","- C110 H130 Mn2 P4.7 -","- C220 H260 Mn4 P9.4 -","2","0.5","","Heinl, Sebastian; Balázs, Gábor; Bodensteiner, Michael; Scheer, Manfred","Synthesis and characterization of manganese triple-decker complexes.","Dalton transactions (Cambridge, England : 2003)","2016","45","5","1962","1966","10.1039/c5dt01750e","","","1.54184","CuKα","","0.0652","0.0622","","","0.1802","0.184","","","","","","1.033","","","","has coordinates,has disorder","176076","2020-10-21","18:00:00",""
"7035367","10.8541","0.0008","23.402","0.0015","14.4578","0.0008","90","","129.149","0.004","90","","2848","0.4","100","2","100","0.1","","","","","","","synthesis as described","6","P 1 21/c 1","-P 2ybc","14","","","","- C28 H34 Co Mo O5 P -","- C28 H34 Co Mo O5 P -","- C112 H136 Co4 Mo4 O20 P4 -","4","1","","Alvarez, Belén; Alvarez, M. Angeles; García, M Esther; Ruiz, Miguel A.","P-S bond cleavage in reactions of thiophosphinidene-bridged dimolybdenum complexes with [Co2(CO)8] to give phosphinidene-bridged heterometallic derivatives.","Dalton transactions (Cambridge, England : 2003)","2016","45","5","1937","1952","10.1039/c5dt01450f","","x-ray","0.71073","MoKα","","0.1548","0.0741","","","0.1415","0.1752","","","","","","1.028","","","","has coordinates","176079","2020-10-21","18:00:00",""
"7035368","9.9372","0.0002","15.6891","0.0003","10.8895","0.0002","90","","95.98","0.002","90","","1688.5","0.06","100","","100","2","","","","","","","synthesis as described","6","P 1 21/m 1","-P 2yb","11","","","","- C32 H34 Co3 Mo O9 P -","- C32 H34 Co3 Mo O9 P -","- C64 H68 Co6 Mo2 O18 P2 -","2","0.5","","Alvarez, Belén; Alvarez, M. Angeles; García, M Esther; Ruiz, Miguel A.","P-S bond cleavage in reactions of thiophosphinidene-bridged dimolybdenum complexes with [Co2(CO)8] to give phosphinidene-bridged heterometallic derivatives.","Dalton transactions (Cambridge, England : 2003)","2016","45","5","1937","1952","10.1039/c5dt01450f","","x-ray","1.5418","CuKα","","0.0949","0.0921","","","0.2325","0.2395","","","","","","1.034","","","","has coordinates","176079","2020-10-21","18:00:00",""
"7035369","12.392","0.005","20.019","0.005","18.798","0.005","90","","120.701","0.017","90","","4010","2","100","0.1","100","0.1","","","","","","","synthesis as described","8","P 1 21/c 1","-P 2ybc","14","","","","- C39 H48 Co2 Mo2 N O6 P S -","- C39 H48 Co2 Mo2 N O6 P S -","- C156 H192 Co8 Mo8 N4 O24 P4 S4 -","4","1","","Alvarez, Belén; Alvarez, M. Angeles; García, M Esther; Ruiz, Miguel A.","P-S bond cleavage in reactions of thiophosphinidene-bridged dimolybdenum complexes with [Co2(CO)8] to give phosphinidene-bridged heterometallic derivatives.","Dalton transactions (Cambridge, England : 2003)","2016","45","5","1937","1952","10.1039/c5dt01450f","","x-ray","0.71073","MoKα","","0.0655","0.0442","","","0.0891","0.0972","","","","","","1.049","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7035370","16.0551","0.0008","12.1292","0.0004","20.0465","0.0009","90","","94.039","0.002","90","","3894.1","0.3","100","0.1","100","0.1","","","","","","","synthesis as described","8","P 1 21/c 1","-P 2ybc","14","","","","- C35 H43 Co3 Mo N O7 P S -","- C35 H43 Co3 Mo N O7 P S -","- C140 H172 Co12 Mo4 N4 O28 P4 S4 -","4","1","","Alvarez, Belén; Alvarez, M. Angeles; García, M Esther; Ruiz, Miguel A.","P-S bond cleavage in reactions of thiophosphinidene-bridged dimolybdenum complexes with [Co2(CO)8] to give phosphinidene-bridged heterometallic derivatives.","Dalton transactions (Cambridge, England : 2003)","2016","45","5","1937","1952","10.1039/c5dt01450f","","x-ray","0.71073","MoKα","","0.062","0.0393","","","0.0744","0.0821","","","","","","1.028","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7035371","10.7899","0.0002","11.8705","0.0002","31.0457","0.0007","90","","90","","90","","3976.38","0.13","100","2","100","2","","","","","","","synthesis as described","7","P 21 21 21","P 2ac 2ab","19","","","","- C34 H39 Co2 Mo2 O6 P S -","- C34 H39 Co2 Mo2 O6 P S -","- C136 H156 Co8 Mo8 O24 P4 S4 -","4","1","","Alvarez, Belén; Alvarez, M. Angeles; García, M Esther; Ruiz, Miguel A.","P-S bond cleavage in reactions of thiophosphinidene-bridged dimolybdenum complexes with [Co2(CO)8] to give phosphinidene-bridged heterometallic derivatives.","Dalton transactions (Cambridge, England : 2003)","2016","45","5","1937","1952","10.1039/c5dt01450f","","x-ray","1.54184","CuKα","","0.0701","0.058","","","0.1467","0.1537","","","","","","1.085","","","","has coordinates","176079","2020-10-21","18:00:00",""
"7035372","26.9844","0.0004","17.4241","0.0002","15.8536","0.0002","90","","90","","90","","7454.03","0.17","123","0.1","123","0.1","","","","","","","synthesis as described","10","P n a 21","P 2c -2n","33","","","","- C67 H56 B Co3 F24 Mo N O7 P S -","- C67 H56 B Co3 F24 Mo N O7 P S -","- C268 H224 B4 Co12 F96 Mo4 N4 O28 P4 S4 -","4","1","","Alvarez, Belén; Alvarez, M. Angeles; García, M Esther; Ruiz, Miguel A.","P-S bond cleavage in reactions of thiophosphinidene-bridged dimolybdenum complexes with [Co2(CO)8] to give phosphinidene-bridged heterometallic derivatives.","Dalton transactions (Cambridge, England : 2003)","2016","45","5","1937","1952","10.1039/c5dt01450f","","x-ray","1.54184","CuKα","","0.0962","0.0799","","","0.214","0.2309","","","","","","1.05","","","","has coordinates,has disorder","176079","2020-10-21","18:00:00",""
"7035419","10.418","0.0003","10.3333","0.0003","12.9878","0.0004","90","","90.739","0.001","90","","1398.05","0.07","153","2","153","2","","","","","","","","6","P 1 21 1","P 2yb","4","3,3-dichloro-2,4,6,7-tetrakis(trimethylsilyl)-2,4,6,7-tetraaza-1,5-diphospha-3-silabicyclo[3.1.1]heptane","3,3-dichloro-2,4,6,7-tetrakis(trimethylsilyl)-2,4,6,7-tetraaza-1,5-diphospha-3-silabicyclo[3.1.1]heptane","","- C12 H36 Cl2 N4 P2 Si5 -","- C12 H36 Cl2 N4 P2 Si5 -","- C24 H72 Cl4 N8 P4 Si10 -","2","1","","Holthausen, M. H.; Weigand, J. J.","Formation of the spirocyclic, Si-centered cage cations [ClP(NSiMe3)2Si(NSiMe3)2P5](+) and [P5(NSiMe3)2Si(NSiMe3)2P5](2.).","Dalton transactions (Cambridge, England : 2003)","2016","45","5","1953","1961","10.1039/c5dt01512j","","","0.71073","MoKα","","0.0279","0.0267","","","0.0677","0.0687","","","","","","1.072","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7035420","13.7339","0.0007","25.0441","0.0012","14.6026","0.0007","90","","92.797","0.001","90","","5016.6","0.4","153","2","153","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C12 H36 Cl11 Ga3 N4 P10 Si5 -","- C12 H36 Cl11 Ga3 N4 P10 Si5 -","- C48 H144 Cl44 Ga12 N16 P40 Si20 -","4","1","","Holthausen, M. H.; Weigand, J. J.","Formation of the spirocyclic, Si-centered cage cations [ClP(NSiMe3)2Si(NSiMe3)2P5](+) and [P5(NSiMe3)2Si(NSiMe3)2P5](2.).","Dalton transactions (Cambridge, England : 2003)","2016","45","5","1953","1961","10.1039/c5dt01512j","","","0.71073","MoKα","","0.038","0.0306","","","0.0773","0.0811","","","","","","1.044","","","","has coordinates","176093","2020-10-21","18:00:00",""
"7035421","9.9999","0.0001","23.7473","0.0003","26.3333","0.0003","63.844","0.001","79.463","0.001","86.969","0.001","5515.64","0.12","153","2","153","1","","","","","","","","7","P -1","-P 1","2","","","","- C12 H36 Cl14 Ga4 N4 P10 Si5 -","- C12 H36 Cl14 Ga4 N4 P10 Si5 -","- C48 H144 Cl56 Ga16 N16 P40 Si20 -","4","2","","Holthausen, M. H.; Weigand, J. J.","Formation of the spirocyclic, Si-centered cage cations [ClP(NSiMe3)2Si(NSiMe3)2P5](+) and [P5(NSiMe3)2Si(NSiMe3)2P5](2.).","Dalton transactions (Cambridge, England : 2003)","2016","45","5","1953","1961","10.1039/c5dt01512j","","","0.71073","MoKα","","0.0683","0.0468","","","0.1074","0.1208","","","","","","1.057","","","","has coordinates,has disorder","176093","2020-10-21","18:00:00",""
"7035422","9.7057","0.0001","18.1074","0.0003","23.8559","0.0004","90","","93.677","0.001","90","","4183.92","0.11","153","1","153","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","Spiro[1,3,2,4]diazaphosphasiletidine_core","Spiro[1,3,2,4]diazaphosphasiletidine_core","","- C18 H41 Cl5 F Ga N4 P6 Si5 -","- C18 H41 Cl5 F Ga N4 P6 Si5 -","- C72 H164 Cl20 F4 Ga4 N16 P24 Si20 -","4","1","","Holthausen, M. H.; Weigand, J. J.","Formation of the spirocyclic, Si-centered cage cations [ClP(NSiMe3)2Si(NSiMe3)2P5](+) and [P5(NSiMe3)2Si(NSiMe3)2P5](2.).","Dalton transactions (Cambridge, England : 2003)","2016","45","5","1953","1961","10.1039/c5dt01512j","","","1.54178","CuKα","","0.0545","0.0481","","","0.1379","0.144","","","","","","1.058","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7035586","11.8631","0.0006","20.2676","0.0009","10.9214","0.0005","90","","90","","90","","2625.9","0.2","173","2","173","","","","","","","","","4","P n m a","-P 2ac 2n","62","","1,3-bis(2,6-diisopropylphenyl)-2-phosphanylideneimidazolidine","","- C27 H39 N2 P -","- C27 H39 N2 P -","- C108 H156 N8 P4 -","4","0.5","","Bispinghoff, Mark; Tondreau, Aaron M.; Grützmacher, Hansjörg; Faradji, Charly A.; Pringle, Paul G.","Carbene insertion into a P-H bond: parent phosphinidene-carbene adducts from PH3 and bis(phosphinidene)mercury complexes.","Dalton transactions (Cambridge, England : 2003)","2016","45","14","5999","6003","10.1039/c5dt01741f","","","0.71073","MoKα","","0.0645","0.0476","","","0.1236","0.1364","","","","","","1.021","","","","has coordinates","181713","2020-10-21","18:00:00",""
"7035587","12.1771","0.0003","16.0504","0.0003","26.4131","0.0005","90","","90","","90","","5162.37","0.19","105.7","0.3","105.7","0.3","","","","","","","","4","P b c a","-P 2ac 2ab","61","","1,3-bis(2,6-diisopropylphenyl)-2-phosphanylimidazolidine","","- C27 H41 N2 P -","- C27 H41 N2 P -","- C216 H328 N16 P8 -","8","1","","Bispinghoff, Mark; Tondreau, Aaron M.; Grützmacher, Hansjörg; Faradji, Charly A.; Pringle, Paul G.","Carbene insertion into a P-H bond: parent phosphinidene-carbene adducts from PH3 and bis(phosphinidene)mercury complexes.","Dalton transactions (Cambridge, England : 2003)","2016","45","14","5999","6003","10.1039/c5dt01741f","","x-ray","0.71073","MoKα","","0.0633","0.0545","","","0.1275","0.1323","","","","","","1.111","","","","has coordinates","181713","2020-10-21","18:00:00",""
"7035588","10.4911","0.0008","11.1172","0.0008","12.5446","0.0009","103.202","0.002","112.596","0.002","95.847","0.002","1285.49","0.17","100","2","100.1","","","","","","","","","5","P -1","-P 1","2","","bis((1,3-bis(2,6-diisopropylphenyl)-1,3-dihydro-2H-imidazol-2-ylidene)phosphanyl)mercury","","- C54 H68 Hg N4 P2 -","- C54 H72 Hg N4 P2 -","- C54 H72 Hg N4 P2 -","1","0.5","","Bispinghoff, Mark; Tondreau, Aaron M.; Grützmacher, Hansjörg; Faradji, Charly A.; Pringle, Paul G.","Carbene insertion into a P-H bond: parent phosphinidene-carbene adducts from PH3 and bis(phosphinidene)mercury complexes.","Dalton transactions (Cambridge, England : 2003)","2016","45","14","5999","6003","10.1039/c5dt01741f","","","0.71073","MoKα","","0.0216","0.0215","","","0.0495","0.0495","","","","","","1.077","","","","has coordinates","181713","2020-10-21","18:00:00",""
"7035589","10.7696","0.0005","11.016","0.001","12.2625","0.0006","103.816","0.006","110.797","0.005","96.922","0.006","1286.44","0.17","106.22","0.15","106.22","0.15","","","","","","","","5","P -1","-P 1","2","","bis((1,3-bis(2,6-diisopropylphenyl)imidazolidin-2-ylidene)phosphanyl)mercury","","- C54 H76 Hg N4 P2 -","- C54 H76 Hg N4 P2 -","- C54 H76 Hg N4 P2 -","1","0.5","","Bispinghoff, Mark; Tondreau, Aaron M.; Grützmacher, Hansjörg; Faradji, Charly A.; Pringle, Paul G.","Carbene insertion into a P-H bond: parent phosphinidene-carbene adducts from PH3 and bis(phosphinidene)mercury complexes.","Dalton transactions (Cambridge, England : 2003)","2016","45","14","5999","6003","10.1039/c5dt01741f","","x-ray","0.71073","MoKα","","0.0524","0.0513","","","0.1132","0.1139","","","","","","1.044","","","","has coordinates","181713","2020-10-21","18:00:00",""
"7035598","9.5162","0.0005","9.5686","0.0005","13.6954","0.0007","108.253","0.002","92.6578","0.0019","112.893","0.002","1070.67","0.1","90","2","90","2","","","","","","","","6","P 1","P 1","1","","","","- C47 H55 Cl2 N3 O Zn -","- C47 H55 Cl2 N3 O Zn -","- C47 H55 Cl2 N3 O Zn -","1","1","","Myers, Thomas W.; Sherbow, Tobias J.; Fettinger, James C.; Berben, Louise A.","Synthesis and characterization of bis(imino)pyridine complexes of divalent Mg and Zn.","Dalton transactions (Cambridge, England : 2003)","2016","45","14","5989","5998","10.1039/c5dt01541c","","","1.54178","CuKα","","0.038","0.0378","","","0.0975","0.0978","","","","","","1.043","","","","has coordinates,has disorder","181710","2020-10-21","18:00:00",""
"7035599","21.2904","0.0004","17.616","0.0003","22.126","0.0004","90","","90","","90","","8298.4","0.3","90","2","90","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C47 H57 Cl N3 O Zn -","- C47 H57 Cl N3 O Zn -","- C376 H456 Cl8 N24 O8 Zn8 -","8","1","","Myers, Thomas W.; Sherbow, Tobias J.; Fettinger, James C.; Berben, Louise A.","Synthesis and characterization of bis(imino)pyridine complexes of divalent Mg and Zn.","Dalton transactions (Cambridge, England : 2003)","2016","45","14","5989","5998","10.1039/c5dt01541c","","","1.54178","CuKα","","0.0315","0.031","","","0.0874","0.0878","","","","","","1.041","","","","has coordinates,has disorder","181710","2020-10-21","18:00:00",""
"7035600","16.3329","0.0007","23.2052","0.001","26.7476","0.0012","90","","90","","90","","10137.6","0.8","90","2","90","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C56 H72 Cl N4 O2 Zn -","- C56 H72 Cl N4 O2 Zn -","- C448 H576 Cl8 N32 O16 Zn8 -","8","1","","Myers, Thomas W.; Sherbow, Tobias J.; Fettinger, James C.; Berben, Louise A.","Synthesis and characterization of bis(imino)pyridine complexes of divalent Mg and Zn.","Dalton transactions (Cambridge, England : 2003)","2016","45","14","5989","5998","10.1039/c5dt01541c","","","1.54178","CuKα","","0.0627","0.0519","","","0.1407","0.1524","","","","","","1.039","","","","has coordinates","181710","2020-10-21","18:00:00",""
"7035601","9.5271","0.0003","11.8468","0.0004","21.7771","0.0008","103.835","0.002","100.793","0.001","91.694","0.002","2337.23","0.14","90","2","90","2","","","","","","","","6","P -1","-P 1","2","","","","- C51 H63 Al Cl2 N3 O2 -","- C51 H63 Al Cl2 N3 O2 -","- C102 H126 Al2 Cl4 N6 O4 -","2","1","","Myers, Thomas W.; Sherbow, Tobias J.; Fettinger, James C.; Berben, Louise A.","Synthesis and characterization of bis(imino)pyridine complexes of divalent Mg and Zn.","Dalton transactions (Cambridge, England : 2003)","2016","45","14","5989","5998","10.1039/c5dt01541c","","","1.54178","CuKα","","0.0551","0.0518","","","0.1433","0.1475","","","","","","1.04","","","","has coordinates,has disorder","181710","2020-10-21","18:00:00",""
"7035602","23.515","0.001","15.5547","0.0007","43.771","0.002","90","","97.11","0.003","90","","15887","1.2","90","2","90","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C166 H248 Cl4 Mg6 N12 O7 -","- C166 H248 Cl4 Mg6 N12 O7 -","- C664 H992 Cl16 Mg24 N48 O28 -","4","0.5","","Myers, Thomas W.; Sherbow, Tobias J.; Fettinger, James C.; Berben, Louise A.","Synthesis and characterization of bis(imino)pyridine complexes of divalent Mg and Zn.","Dalton transactions (Cambridge, England : 2003)","2016","45","14","5989","5998","10.1039/c5dt01541c","","","1.54178","CuKα","","0.094","0.0767","","","0.1989","0.2131","","","","","","1.044","","","","has coordinates,has disorder","181710","2020-10-21","18:00:00",""
"7035603","32.0684","0.001","34.4149","0.0011","17.4423","0.0006","90","","90","","90","","19249.9","1.1","90","2","90","2","","","","","","","","5","F d d 2","F 2 -2d","43","","","","- C41 H59 Mg N3 O2 -","- C41 H59 Mg N3 O2 -","- C656 H944 Mg16 N48 O32 -","16","1","","Myers, Thomas W.; Sherbow, Tobias J.; Fettinger, James C.; Berben, Louise A.","Synthesis and characterization of bis(imino)pyridine complexes of divalent Mg and Zn.","Dalton transactions (Cambridge, England : 2003)","2016","45","14","5989","5998","10.1039/c5dt01541c","","","1.54178","CuKα","","0.0418","0.0413","","","0.1171","0.118","","","","","","1.066","","","","has coordinates","181710","2020-10-21","18:00:00",""
"7035812","10.6985","0.0008","17.0969","0.0013","10.7451","0.0011","90","","91.79","0.007","90","","1964.4","0.3","150","","150","","","","","","","","dimethylsulfoxid,diethylether","6","P 1 21/n 1","-P 2yn","14","","","","- C17 H20 Cl3 N2 P Pt -","- C17 H20 Cl3 N2 P Pt -","- C68 H80 Cl12 N8 P4 Pt4 -","4","1","","Haldón, Estela; Kozma, Ágnes; Tinnermann, Hendrik; Gu, Lianghu; Goddard, Richard; Alcarazo, Manuel","Synthesis and reactivity of α-cationic phosphines: the effect of imidazolinium and amidinium substituents.","Dalton transactions (Cambridge, England : 2003)","2016","45","5","1872","1876","10.1039/c5dt02341f","","","0.71073","MoKα","","0.0775","0.0563","","","0.1374","0.1527","","","","","","1.033","","","","has coordinates","276361","2022-06-28","17:33:20",""
"7035813","12.3705","0.0005","22.6919","0.0009","15.1987","0.0006","90","","113.624","0.0013","90","","3908.9","0.3","100","","100","","","","","","","","dichloromethane","6","P 1 21/n 1","-P 2yn","14","","","","- C17 H32 B F4 N2 P -","- C17 H32 B F4 N2 P -","- C136 H256 B8 F32 N16 P8 -","8","2","","Haldón, Estela; Kozma, Ágnes; Tinnermann, Hendrik; Gu, Lianghu; Goddard, Richard; Alcarazo, Manuel","Synthesis and reactivity of α-cationic phosphines: the effect of imidazolinium and amidinium substituents.","Dalton transactions (Cambridge, England : 2003)","2016","45","5","1872","1876","10.1039/c5dt02341f","","","1.54178","Cu-Kα","","0.0464","0.0409","","","0.1005","0.1046","","","","","","1.055","","","","has coordinates","276361","2022-06-28","17:33:21",""
"7035814","8.4612","0.0009","8.9156","0.0009","19.0961","0.0019","83.9995","0.0016","81.0351","0.0017","64.596","0.0015","1284.2","0.2","100","","100","","","","","","","","dichlormethane","8","P -1","-P 1","2","","","","- C19 H35 Au Cl F6 N3 P Sb -","- C19 H35 Au Cl F6 N3 P Sb -","- C38 H70 Au2 Cl2 F12 N6 P2 Sb2 -","2","1","","Haldón, Estela; Kozma, Ágnes; Tinnermann, Hendrik; Gu, Lianghu; Goddard, Richard; Alcarazo, Manuel","Synthesis and reactivity of α-cationic phosphines: the effect of imidazolinium and amidinium substituents.","Dalton transactions (Cambridge, England : 2003)","2016","45","5","1872","1876","10.1039/c5dt02341f","","","0.71073","Mo-Kα","","0.0165","0.016","","","0.0392","0.0393","","","","","","1.157","","","","has coordinates,has disorder","276361","2022-06-28","17:33:21",""
"7035815","15.028","0.003","15.072","0.003","15.43","0.003","75.926","0.003","82.983","0.003","74.157","0.003","3255.4","1.1","100","","100","","","","","","","","dichloromethane","6","P -1","-P 1","2","","","","- C17 H32 F6 N2 P Sb -","- C17 H32 F6 N2 P Sb -","- C102 H192 F36 N12 P6 Sb6 -","6","3","","Haldón, Estela; Kozma, Ágnes; Tinnermann, Hendrik; Gu, Lianghu; Goddard, Richard; Alcarazo, Manuel","Synthesis and reactivity of α-cationic phosphines: the effect of imidazolinium and amidinium substituents.","Dalton transactions (Cambridge, England : 2003)","2016","45","5","1872","1876","10.1039/c5dt02341f","","","0.71073","Mo-Kα","","0.0674","0.0376","","","0.0854","0.1053","","","","","","1.041","","","","has coordinates,has disorder","276361","2022-06-28","17:33:21",""
"7035816","11.9015","0.0015","13.6615","0.0018","16.414","0.002","88.305","0.002","69.996","0.002","88.438","0.002","2506.3","0.6","100","","100","","","","","","","","dichloromethane","8","P -1","-P 1","2","","","","- C35 H42 Au2 Cl4 F12 N4 P2 Sb2 -","- C35 H42 Au2 Cl4 F12 N4 P2 Sb2 -","- C70 H84 Au4 Cl8 F24 N8 P4 Sb4 -","2","1","","Haldón, Estela; Kozma, Ágnes; Tinnermann, Hendrik; Gu, Lianghu; Goddard, Richard; Alcarazo, Manuel","Synthesis and reactivity of α-cationic phosphines: the effect of imidazolinium and amidinium substituents.","Dalton transactions (Cambridge, England : 2003)","2016","45","5","1872","1876","10.1039/c5dt02341f","","","0.71073","Mo-Kα","","0.0607","0.0474","","","0.1233","0.1321","","","","","","1.035","","","","has coordinates,has disorder","276361","2022-06-28","17:33:21",""
"7035817","15.8215","0.0007","10.3524","0.0007","18.0617","0.0005","90","","115.205","0.003","90","","2676.7","0.2","100","2","100.15","","","","","","","","dichloromethane","8","P 1 21/n 1","-P 2yn","14","","","","- C23 H30 Au Cl F6 N2 P Sb -","- C23 H30 Au Cl F6 N2 P Sb -","- C92 H120 Au4 Cl4 F24 N8 P4 Sb4 -","4","1","","Haldón, Estela; Kozma, Ágnes; Tinnermann, Hendrik; Gu, Lianghu; Goddard, Richard; Alcarazo, Manuel","Synthesis and reactivity of α-cationic phosphines: the effect of imidazolinium and amidinium substituents.","Dalton transactions (Cambridge, England : 2003)","2016","45","5","1872","1876","10.1039/c5dt02341f","","","0.71073","MoKα","","0.0159","0.0138","","","0.0321","0.0333","","","","","","1.079","","","","has coordinates","276361","2022-06-28","17:33:21",""
"7035818","8.878","0.004","15.409","0.006","22.384","0.009","90","","90","","90","","3062","2","100","","100","","","","","","","","dichloromethane","6","P 21 21 21","P 2ac 2ab","19","","","","- C25 H34 Cl7 N2 P Pt -","- C25 H34 Cl7 N2 P Pt -","- C100 H136 Cl28 N8 P4 Pt4 -","4","1","","Haldón, Estela; Kozma, Ágnes; Tinnermann, Hendrik; Gu, Lianghu; Goddard, Richard; Alcarazo, Manuel","Synthesis and reactivity of α-cationic phosphines: the effect of imidazolinium and amidinium substituents.","Dalton transactions (Cambridge, England : 2003)","2016","45","5","1872","1876","10.1039/c5dt02341f","","","0.71073","Mo-Kα","","0.0892","0.0856","","","0.2464","0.2478","","","","","","1.151","","","","has coordinates","276361","2022-06-28","17:33:21",""
"7035819","10.2341","0.0002","11.9121","0.0003","14.5106","0.0003","82.3872","0.001","82.2212","0.0009","87.2389","0.001","1736.43","0.07","100","","100","","","","","","","","dichloromethane","6","P -1","-P 1","2","","","","- C28 H45 F12 N4 P Sb2 -","- C28 H45 F12 N4 P Sb2 -","- C56 H90 F24 N8 P2 Sb4 -","2","1","","Haldón, Estela; Kozma, Ágnes; Tinnermann, Hendrik; Gu, Lianghu; Goddard, Richard; Alcarazo, Manuel","Synthesis and reactivity of α-cationic phosphines: the effect of imidazolinium and amidinium substituents.","Dalton transactions (Cambridge, England : 2003)","2016","45","5","1872","1876","10.1039/c5dt02341f","","","1.54178","Cu-Kα","","0.038","0.032","","","0.0778","0.0815","","","","","","1.021","","","","has coordinates","276361","2022-06-28","17:33:21",""
"7035820","7.5835","0.0004","11.105","0.0004","23.5818","0.001","90","","94.658","0.005","90","","1979.38","0.15","100","","100","","","","","","","","dichloromethane,pentane","6","P 1 21/c 1","-P 2ybc","14","","","","- C17 H20 F6 N2 P Sb -","- C17 H20 F6 N2 P Sb -","- C68 H80 F24 N8 P4 Sb4 -","4","1","","Haldón, Estela; Kozma, Ágnes; Tinnermann, Hendrik; Gu, Lianghu; Goddard, Richard; Alcarazo, Manuel","Synthesis and reactivity of α-cationic phosphines: the effect of imidazolinium and amidinium substituents.","Dalton transactions (Cambridge, England : 2003)","2016","45","5","1872","1876","10.1039/c5dt02341f","","","0.71073","MoKα","","0.0307","0.028","","","0.0945","0.0976","","","","","","1.173","","","","has coordinates","276361","2022-06-28","17:33:21",""
"7035822","13.081","0.0002","15.6526","0.0003","15.7164","0.0003","87.749","0.001","72.748","0.001","77.053","0.001","2993.78","0.1","150","2","150","2","","","","","","","","8","P -1","-P 1","2","","[K(18-crown-6)]2[P7Ge{N(SiMe3)2}]*2py","","- C40 H76 Ge K2 N3 O12 P7 Si2 -","- C40 H76 Ge K2 N3 O12 P7 Si2 -","- C80 H152 Ge2 K4 N6 O24 P14 Si4 -","2","1","","Quintero, Gabriela Espinoza; Paterson-Taylor, Isabelle; Rees, Nicholas H.; Goicoechea, Jose M.","Heptaphosphide cluster anions bearing group 14 element amide functionalities.","Dalton transactions (Cambridge, England : 2003)","2016","45","5","1930","1936","10.1039/c5dt02380g","","","0.71073","MoKα","","0.0576","0.0393","","","0.0955","0.1057","","","","","","1.006","","","","has coordinates,has disorder","176062","2020-10-21","18:00:00",""
"7035823","13.1078","0.0002","15.7005","0.0002","15.9468","0.0003","88.958","0.001","72.667","0.001","77.311","0.001","3052.35","0.09","150","2","150","2","","","","","","","","8","P -1","-P 1","2","","[K(18-crown-6)]2[P7Sn{N(SiMe3)2}]*2py","","- C40 H76 K2 N3 O12 P7 Si2 Sn -","- C40 H76 K2 N3 O12 P7 Si2 Sn -","- C80 H152 K4 N6 O24 P14 Si4 Sn2 -","2","1","","Quintero, Gabriela Espinoza; Paterson-Taylor, Isabelle; Rees, Nicholas H.; Goicoechea, Jose M.","Heptaphosphide cluster anions bearing group 14 element amide functionalities.","Dalton transactions (Cambridge, England : 2003)","2016","45","5","1930","1936","10.1039/c5dt02380g","","","0.71073","MoKα","","0.077","0.0496","","","0.1199","0.1352","","","","","","0.974","","","","has coordinates,has disorder","176062","2020-10-21","18:00:00",""
"7035975","7.2951","0.0005","10.6358","0.0007","15.9794","0.0011","85.95","0.004","86.582","0.004","74.846","0.004","1192.64","0.14","100","","100","","","","","","","","","4","P -1","-P 1","2","","tris{2,5-bis(trifluoromethyl)phenyl}borane","","- C24 H9 B F18 -","- C24 H9 B F18 -","- C48 H18 B2 F36 -","2","1","","Blagg, Robin J.; Lawrence, Elliot J.; Resner, Katie; Oganesyan, Vasily S.; Herrington, Thomas J.; Ashley, Andrew E.; Wildgoose, Gregory G.","Exploring structural and electronic effects in three isomers of tris{bis(trifluoromethyl)phenyl}borane: towards the combined electrochemical-frustrated Lewis pair activation of H2.","Dalton transactions (Cambridge, England : 2003)","2016","45","14","6023","6031","10.1039/c5dt01918d","","","0.71075","MoKα","","0.0712","0.0555","","","0.1508","0.1631","","","","","","1.055","","","","has coordinates","181714","2020-10-21","18:00:00",""
"7035986","8.7682","0.0001","9.0948","0.0001","14.4718","0.0002","90","","90","","90","","1154.05","0.02","130","2","130","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C10 H17 O2 P S -","- C10 H17 O2 P S -","- C40 H68 O8 P4 S4 -","4","1","","Möller, Tobias; Wonneberger, Peter; Sárosi, Menyhárt B; Coburger, Peter; Hey-Hawkins, Evamarie","P-chiral 1-phosphanorbornenes: from asymmetric phospha-Diels-Alder reactions towards ligand design and functionalisation.","Dalton transactions (Cambridge, England : 2003)","2016","45","5","1904","1917","10.1039/c5dt02564h","","","0.71073","MoKα","","0.024","0.0227","","","0.0588","0.0594","","","","","","1.095","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7035987","14.991","0.0002","7.3994","0.0001","10.5296","0.0002","90","","93.746","0.001","90","","1165.49","0.03","130","2","130","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C10 H17 O2 P S -","- C10 H17 O2 P S -","- C40 H68 O8 P4 S4 -","4","1","","Möller, Tobias; Wonneberger, Peter; Sárosi, Menyhárt B; Coburger, Peter; Hey-Hawkins, Evamarie","P-chiral 1-phosphanorbornenes: from asymmetric phospha-Diels-Alder reactions towards ligand design and functionalisation.","Dalton transactions (Cambridge, England : 2003)","2016","45","5","1904","1917","10.1039/c5dt02564h","","","0.71073","MoKα","","0.0221","0.0214","","","0.0561","0.0566","","","","","","1.038","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7035988","8.196","0.005","8.334","0.005","11.144","0.005","90","","92.054","","90","","760.7","0.7","130","2","130","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C16 H21 O2 P S -","- C16 H21 O2 P S -","- C32 H42 O4 P2 S2 -","2","1","","Möller, Tobias; Wonneberger, Peter; Sárosi, Menyhárt B; Coburger, Peter; Hey-Hawkins, Evamarie","P-chiral 1-phosphanorbornenes: from asymmetric phospha-Diels-Alder reactions towards ligand design and functionalisation.","Dalton transactions (Cambridge, England : 2003)","2016","45","5","1904","1917","10.1039/c5dt02564h","","","0.71073","MoKα","","0.0307","0.0273","","","0.0624","0.064","","","","","","1.041","","","","has coordinates","176066","2020-10-21","18:00:00",""
"7035989","8.41","0.005","12.953","0.005","13.799","0.005","90","","90","","90","","1503.2","1.2","130","2","130","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C16 H21 O2 P S -","- C16 H21 O2 P S -","- C64 H84 O8 P4 S4 -","4","1","","Möller, Tobias; Wonneberger, Peter; Sárosi, Menyhárt B; Coburger, Peter; Hey-Hawkins, Evamarie","P-chiral 1-phosphanorbornenes: from asymmetric phospha-Diels-Alder reactions towards ligand design and functionalisation.","Dalton transactions (Cambridge, England : 2003)","2016","45","5","1904","1917","10.1039/c5dt02564h","","","0.71073","MoKα","","0.0348","0.0305","","","0.0733","0.0755","","","","","","1.06","","","","has coordinates","176066","2020-10-21","18:00:00",""
"7035990","9.123","0.005","11.681","0.005","14.355","0.005","90","","90","","90","","1529.8","1.2","130","2","130","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C16 H21 O2 P S -","- C16 H21 O2 P S -","- C64 H84 O8 P4 S4 -","4","1","","Möller, Tobias; Wonneberger, Peter; Sárosi, Menyhárt B; Coburger, Peter; Hey-Hawkins, Evamarie","P-chiral 1-phosphanorbornenes: from asymmetric phospha-Diels-Alder reactions towards ligand design and functionalisation.","Dalton transactions (Cambridge, England : 2003)","2016","45","5","1904","1917","10.1039/c5dt02564h","","","0.71073","MoKα","","0.0302","0.0274","","","0.0643","0.0657","","","","","","1.027","","","","has coordinates","176066","2020-10-21","18:00:00",""
"7035991","29.199","0.001","9.1211","0.0002","18.0309","0.0005","90","","112.228","0.003","90","","4445.3","0.2","130","2","130","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C22 H26 O2 P2 S2 -","- C22 H26 O2 P2 S2 -","- C176 H208 O16 P16 S16 -","8","2","","Möller, Tobias; Wonneberger, Peter; Sárosi, Menyhárt B; Coburger, Peter; Hey-Hawkins, Evamarie","P-chiral 1-phosphanorbornenes: from asymmetric phospha-Diels-Alder reactions towards ligand design and functionalisation.","Dalton transactions (Cambridge, England : 2003)","2016","45","5","1904","1917","10.1039/c5dt02564h","","","0.71073","MoKα","","0.0359","0.0304","","","0.0633","0.0657","","","","","","1.03","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7035992","8.4597","0.0002","14.4132","0.0002","23.4346","0.0004","90","","90","","90","","2857.41","0.09","130","2","130","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C28 H38 O2 P2 S2 -","- C28 H38 O2 P2 S2 -","- C112 H152 O8 P8 S8 -","4","1","","Möller, Tobias; Wonneberger, Peter; Sárosi, Menyhárt B; Coburger, Peter; Hey-Hawkins, Evamarie","P-chiral 1-phosphanorbornenes: from asymmetric phospha-Diels-Alder reactions towards ligand design and functionalisation.","Dalton transactions (Cambridge, England : 2003)","2016","45","5","1904","1917","10.1039/c5dt02564h","","","0.71073","MoKα","","0.0287","0.0268","","","0.0657","0.0666","","","","","","1.037","","","","has coordinates","176066","2020-10-21","18:00:00",""
"7035993","9.0643","0.0003","9.105","0.0002","25.6653","0.0009","90","","90","","90","","2118.17","0.11","130","2","130","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C22 H29 B O P2 S -","- C22 H29 B O P2 S -","- C88 H116 B4 O4 P8 S4 -","4","1","","Möller, Tobias; Wonneberger, Peter; Sárosi, Menyhárt B; Coburger, Peter; Hey-Hawkins, Evamarie","P-chiral 1-phosphanorbornenes: from asymmetric phospha-Diels-Alder reactions towards ligand design and functionalisation.","Dalton transactions (Cambridge, England : 2003)","2016","45","5","1904","1917","10.1039/c5dt02564h","","","0.71073","MoKα","","0.0657","0.044","","","0.0872","0.0979","","","","","","0.865","","","","has coordinates","176066","2020-10-21","18:00:00",""
"7035994","12.0155","0.0001","12.2658","0.0001","16.7128","0.0002","90","","90","","90","","2463.13","0.04","130","2","130","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C25 H34 N O3 P S -","- C25 H34 N O3 P S -","- C100 H136 N4 O12 P4 S4 -","4","1","","Möller, Tobias; Wonneberger, Peter; Sárosi, Menyhárt B; Coburger, Peter; Hey-Hawkins, Evamarie","P-chiral 1-phosphanorbornenes: from asymmetric phospha-Diels-Alder reactions towards ligand design and functionalisation.","Dalton transactions (Cambridge, England : 2003)","2016","45","5","1904","1917","10.1039/c5dt02564h","","","0.71073","MoKα","","0.0272","0.0252","","","0.0644","0.0657","","","","","","1.072","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7036005","8.2299","0.0002","16.7796","0.0003","9.6743","0.0002","90","","103.954","0.001","90","","1296.54","0.05","123","","123","","","","","","","","synthesis","7","P 1 21 1","P 2yb","4","","","","- C22 H39 Cl2 N2 O P Pd -","- C22 H39 Cl2 N2 O P Pd -","- C44 H78 Cl4 N4 O2 P2 Pd2 -","2","1","","Marchenko, Anatoliy; Koidan, Georgyi; Hurieva, Anastasiya; Vlasenko, Yurii; Kostyuk, Aleksandr; Biffis, Andrea","Palladium(ii) complexes with chelating N-phosphanyl acyclic diaminocarbenes: synthesis, characterization and catalytic performance in Suzuki couplings.","Dalton transactions (Cambridge, England : 2003)","2016","45","5","1967","1975","10.1039/c5dt02250a","","","0.71073","MoKα","","0.0171","0.0166","","0.017","0.0169","0.0169","","","","","","1.1025","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7036006","10.1264","0.0013","13.7129","0.0017","17.5394","0.0013","90","","90","","90","","2435.6","0.5","173","","173","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C21 H37 Cl2 N2 P Pd -","- C21 H37 Cl2 N2 P Pd -","- C84 H148 Cl8 N8 P4 Pd4 -","4","1","","Marchenko, Anatoliy; Koidan, Georgyi; Hurieva, Anastasiya; Vlasenko, Yurii; Kostyuk, Aleksandr; Biffis, Andrea","Palladium(ii) complexes with chelating N-phosphanyl acyclic diaminocarbenes: synthesis, characterization and catalytic performance in Suzuki couplings.","Dalton transactions (Cambridge, England : 2003)","2016","45","5","1967","1975","10.1039/c5dt02250a","","","0.71073","MoKα","","0.0454","0.0356","","0.0348","0.028","0.0268","","","","","","1.0325","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7036007","10.2491","0.0014","12.2572","0.0016","19.524","0.003","90","","90","","90","","2452.7","0.6","173","","173","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C22 H39 Cl2 N2 P Pd -","- C22 H39 Cl2 N2 P Pd -","- C88 H156 Cl8 N8 P4 Pd4 -","4","1","","Marchenko, Anatoliy; Koidan, Georgyi; Hurieva, Anastasiya; Vlasenko, Yurii; Kostyuk, Aleksandr; Biffis, Andrea","Palladium(ii) complexes with chelating N-phosphanyl acyclic diaminocarbenes: synthesis, characterization and catalytic performance in Suzuki couplings.","Dalton transactions (Cambridge, England : 2003)","2016","45","5","1967","1975","10.1039/c5dt02250a","","","0.71073","MoKα","","0.0907","0.0777","","0.0586","0.0556","0.0545","","","","","","1.037","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7036008","12.6614","0.0003","15.7007","0.0003","16.89","0.0004","90","","90","","90","","3357.61","0.13","123","","123","","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C28 H45 Cl2 F3 N5 P Pd -","- C28 H45 Cl2 F3 N5 P Pd -","- C112 H180 Cl8 F12 N20 P4 Pd4 -","4","1","","Marchenko, Anatoliy; Koidan, Georgyi; Hurieva, Anastasiya; Vlasenko, Yurii; Kostyuk, Aleksandr; Biffis, Andrea","Palladium(ii) complexes with chelating N-phosphanyl acyclic diaminocarbenes: synthesis, characterization and catalytic performance in Suzuki couplings.","Dalton transactions (Cambridge, England : 2003)","2016","45","5","1967","1975","10.1039/c5dt02250a","","","0.71073","MoKα","","0.0314","0.0277","","0.0246","0.0224","0.022","","","","","","1.111","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7036009","15.5317","0.0003","10.2561","0.0002","33.1968","0.0006","90","","92.109","0.001","90","","5284.49","0.17","123","","123","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C23 H40.5 Cl2 N2.5 O P Pd -","- C23 H40.5 Cl2 N2.5 O P Pd -","- C184 H324 Cl16 N20 O8 P8 Pd8 -","8","2","","Marchenko, Anatoliy; Koidan, Georgyi; Hurieva, Anastasiya; Vlasenko, Yurii; Kostyuk, Aleksandr; Biffis, Andrea","Palladium(ii) complexes with chelating N-phosphanyl acyclic diaminocarbenes: synthesis, characterization and catalytic performance in Suzuki couplings.","Dalton transactions (Cambridge, England : 2003)","2016","45","5","1967","1975","10.1039/c5dt02250a","","","0.71073","MoKα","","0.047","0.0371","","0.0426","0.0404","0.0395","","","","","","1.0675","","","","has coordinates","182257","2020-10-21","18:00:00",""
"7036034","13.9771","0.0009","20.921","0.0014","14.6037","0.001","90","","108.648","0.003","90","","4046.2","0.5","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C48 H50 K N2 P -","- C48 H50 K N2 P -","- C192 H200 K4 N8 P4 -","4","1","","Hinz, Alexander; Rothe, Julia; Schulz, Axel; Villinger, Alexander","Reduction of dichloro(diaza-phospha)stibanes - isolation of a donor-stabilized distibenium dication.","Dalton transactions (Cambridge, England : 2003)","2016","45","14","6044","6052","10.1039/c5dt02711j","","","0.71073","MoKα","","0.1476","0.0572","","","0.0977","0.1282","","","","","","1","","","","has coordinates,has disorder","181722","2020-10-21","18:00:00",""
"7036035","12.0987","0.0009","22.5405","0.0018","16.4923","0.0014","90","","106.879","0.003","90","","4303.9","0.6","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C48 H50 Cl2 N2 P Sb -","- C48 H50 Cl2 N2 P Sb -","- C192 H200 Cl8 N8 P4 Sb4 -","4","1","","Hinz, Alexander; Rothe, Julia; Schulz, Axel; Villinger, Alexander","Reduction of dichloro(diaza-phospha)stibanes - isolation of a donor-stabilized distibenium dication.","Dalton transactions (Cambridge, England : 2003)","2016","45","14","6044","6052","10.1039/c5dt02711j","","","0.71073","MoKα","","0.1108","0.0513","","","0.1075","0.1354","","","","","","1.016","","","","has coordinates","181722","2020-10-21","18:00:00",""
"7036036","31.5546","0.001","16.15","0.0005","19.5721","0.0006","90","","106.735","0.002","90","","9551.6","0.5","173","2","173","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C48 H50 Cl5 Ga N2 P Sb -","- C48 H50 Cl4.9982 Ga0.99955 N2 P Sb -","- C384 H400 Cl39.9856 Ga7.9964 N16 P8 Sb8 -","8","2","","Hinz, Alexander; Rothe, Julia; Schulz, Axel; Villinger, Alexander","Reduction of dichloro(diaza-phospha)stibanes - isolation of a donor-stabilized distibenium dication.","Dalton transactions (Cambridge, England : 2003)","2016","45","14","6044","6052","10.1039/c5dt02711j","","","0.71073","MoKα","","0.1011","0.0565","","","0.1107","0.1279","","","","","","1.031","","","","has coordinates,has disorder","181722","2020-10-21","18:00:00",""
"7036037","12.8983","0.0009","15.7209","0.0011","22.3241","0.0015","90","","95.003","0.004","90","","4509.5","0.5","173","2","173","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C52 H58 Cl Mg N2 O P -","- C52 H58 Cl Mg N2 O P -","- C208 H232 Cl4 Mg4 N8 O4 P4 -","4","1","","Hinz, Alexander; Rothe, Julia; Schulz, Axel; Villinger, Alexander","Reduction of dichloro(diaza-phospha)stibanes - isolation of a donor-stabilized distibenium dication.","Dalton transactions (Cambridge, England : 2003)","2016","45","14","6044","6052","10.1039/c5dt02711j","","","0.71073","MoKα","","0.0973","0.0523","","","0.1242","0.1489","","","","","","1.023","","","","has coordinates,has disorder","181722","2020-10-21","18:00:00",""
"7036038","18.1642","0.0006","11.4249","0.0004","23.9813","0.0008","90","","99.487","0.002","90","","4908.6","0.3","173","2","173","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C62 H60 N2 P Sb -","- C62 H60 N2 P Sb -","- C248 H240 N8 P4 Sb4 -","4","1","","Hinz, Alexander; Rothe, Julia; Schulz, Axel; Villinger, Alexander","Reduction of dichloro(diaza-phospha)stibanes - isolation of a donor-stabilized distibenium dication.","Dalton transactions (Cambridge, England : 2003)","2016","45","14","6044","6052","10.1039/c5dt02711j","","","0.71073","MoKα","","0.0531","0.0425","","","0.0956","0.1008","","","","","","1.048","","","","has coordinates,has disorder","181722","2020-10-21","18:00:00",""
"7036039","15.3403","0.0005","15.7088","0.0007","16.8844","0.0006","90","","90","","90","","4068.8","0.3","173","2","173","2","","","","","","","","5","P n n n","-P 2ab 2bc","48","","","","- C96 H100 N4 P2 Sb2 -","- C96 H100 N4 P2 Sb2 -","- C192 H200 N8 P4 Sb4 -","2","","","Hinz, Alexander; Rothe, Julia; Schulz, Axel; Villinger, Alexander","Reduction of dichloro(diaza-phospha)stibanes - isolation of a donor-stabilized distibenium dication.","Dalton transactions (Cambridge, England : 2003)","2016","45","14","6044","6052","10.1039/c5dt02711j","","","0.71073","MoKα","","0.0883","0.0419","","","0.0865","0.1077","","","","","","1.02","","","","has coordinates","181722","2020-10-21","18:00:00",""
"7036089","9.5683","0.0007","11.3302","0.0015","21.3284","0.0019","90","","99.871","0.008","90","","2278","0.4","150.03","0.1","150.03","0.1","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","bis(tertbutyldimethylsilyl)amido magnesium chloride","","- C32 H76 Cl2 Mg2 N2 O2 Si4 -","- C32 H76 Cl2 Mg2 N2 O2 Si4 -","- C64 H152 Cl4 Mg4 N4 O4 Si8 -","2","0.5","","Goodwin, Conrad A. P.; Smith, Alex; Ortu, Fabrizio; Vitorica-Yrezabal, Iñigo J; Mills, David P.","Salt metathesis versus protonolysis routes for the synthesis of silylamide Hauser base (R2NMgX; X = halogen) and amido-Grignard (R2NMgR) complexes.","Dalton transactions (Cambridge, England : 2003)","2016","45","14","6004","6014","10.1039/c5dt02535d","","","0.71073","MoKα","","0.1373","0.0738","","","0.1504","0.1969","","","","","","1.021","","","","has coordinates","181728","2020-10-21","18:00:00",""
"7036090","9.7845","0.0008","11.0265","0.0011","12.2422","0.0012","86.179","0.008","88.328","0.008","67.12","0.009","1214.2","0.2","108","2","108.2","","","","","","","","","7","P -1","-P 1","2","","","","- C38 H88 Cl2 Mg2 N2 O2 Si4 -","- C38 H88 Cl2 Mg2 N2 O2 Si4 -","- C38 H88 Cl2 Mg2 N2 O2 Si4 -","1","0.5","","Goodwin, Conrad A. P.; Smith, Alex; Ortu, Fabrizio; Vitorica-Yrezabal, Iñigo J; Mills, David P.","Salt metathesis versus protonolysis routes for the synthesis of silylamide Hauser base (R2NMgX; X = halogen) and amido-Grignard (R2NMgR) complexes.","Dalton transactions (Cambridge, England : 2003)","2016","45","14","6004","6014","10.1039/c5dt02535d","","","0.71073","MoKα","","0.0749","0.051","","","0.1029","0.1172","","","","","","1.044","","","","has coordinates","181728","2020-10-21","18:00:00",""
"7036091","10.7375","0.0003","12.4913","0.0004","20.6451","0.0006","90","","100.832","0.003","90","","2719.69","0.14","293","2","293","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C44 H100 Cl2 Mg2 N2 O2 Si4 -","- C44 H100 Cl2 Mg2 N2 O2 Si4 -","- C88 H200 Cl4 Mg4 N4 O4 Si8 -","2","0.5","","Goodwin, Conrad A. P.; Smith, Alex; Ortu, Fabrizio; Vitorica-Yrezabal, Iñigo J; Mills, David P.","Salt metathesis versus protonolysis routes for the synthesis of silylamide Hauser base (R2NMgX; X = halogen) and amido-Grignard (R2NMgR) complexes.","Dalton transactions (Cambridge, England : 2003)","2016","45","14","6004","6014","10.1039/c5dt02535d","","","1.54184","CuKα","","0.0776","0.0568","","","0.1398","0.1591","","","","","","1.126","","","","has coordinates","181728","2020-10-21","18:00:00",""
"7036092","15.833","0.0008","11.7764","0.0006","22.7974","0.001","90","","93.418","0.005","90","","4243.1","0.4","150.01","0.1","150.01","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C32 H76 N2 Na2 O2 Si4 -","- C32 H76 N2 Na2 O2 Si4 -","- C128 H304 N8 Na8 O8 Si16 -","4","1","","Goodwin, Conrad A. P.; Smith, Alex; Ortu, Fabrizio; Vitorica-Yrezabal, Iñigo J; Mills, David P.","Salt metathesis versus protonolysis routes for the synthesis of silylamide Hauser base (R2NMgX; X = halogen) and amido-Grignard (R2NMgR) complexes.","Dalton transactions (Cambridge, England : 2003)","2016","45","14","6004","6014","10.1039/c5dt02535d","","","0.71073","MoKα","","0.1056","0.0642","","","0.1408","0.1656","","","","","","1.047","","","","has coordinates,has disorder","181728","2020-10-21","18:00:00",""
"7036093","10.8063","0.001","16.759","0.002","15.6804","0.0014","90","","91.571","0.008","90","","2838.7","0.5","150.03","0.11","150.03","0.11","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C20 H50 N Na O4 Si2 -","- C20 H50 N Na O4 Si2 -","- C80 H200 N4 Na4 O16 Si8 -","4","1","","Goodwin, Conrad A. P.; Smith, Alex; Ortu, Fabrizio; Vitorica-Yrezabal, Iñigo J; Mills, David P.","Salt metathesis versus protonolysis routes for the synthesis of silylamide Hauser base (R2NMgX; X = halogen) and amido-Grignard (R2NMgR) complexes.","Dalton transactions (Cambridge, England : 2003)","2016","45","14","6004","6014","10.1039/c5dt02535d","","x-ray","0.71073","MoKα","","0.1623","0.0717","","","0.1295","0.1678","","","","","","0.965","","","","has coordinates","181728","2020-10-21","18:00:00",""
"7036094","8.4218","0.0007","9.6732","0.0009","11.33","0.0009","90.787","0.007","98.14","0.007","110.583","0.008","853.37","0.14","150.01","0.1","150.01","0.1","","","","","","","","5","P -1","-P 1","2","","bis(tertbutyldimethylsilyl)amido potassium","","- C24 H60 K2 N2 Si4 -","- C24 H60 K2 N2 Si4 -","- C24 H60 K2 N2 Si4 -","1","0.5","","Goodwin, Conrad A. P.; Smith, Alex; Ortu, Fabrizio; Vitorica-Yrezabal, Iñigo J; Mills, David P.","Salt metathesis versus protonolysis routes for the synthesis of silylamide Hauser base (R2NMgX; X = halogen) and amido-Grignard (R2NMgR) complexes.","Dalton transactions (Cambridge, England : 2003)","2016","45","14","6004","6014","10.1039/c5dt02535d","","","0.71073","MoKα","","0.1077","0.0619","","","0.1106","0.1354","","","","","","1.008","","","","has coordinates","181728","2020-10-21","18:00:00",""
"7036095","7.7791","0.0008","9.64","0.0009","13.4373","0.0011","94.746","0.007","94.148","0.007","109.082","0.009","943.74","0.16","150.01","0.11","150.01","0.11","","","","","","","","5","P -1","-P 1","2","","","","- C26 H66 Mg2 N2 Si4 -","- C26 H66 Mg2 N2 Si4 -","- C26 H66 Mg2 N2 Si4 -","1","0.5","","Goodwin, Conrad A. P.; Smith, Alex; Ortu, Fabrizio; Vitorica-Yrezabal, Iñigo J; Mills, David P.","Salt metathesis versus protonolysis routes for the synthesis of silylamide Hauser base (R2NMgX; X = halogen) and amido-Grignard (R2NMgR) complexes.","Dalton transactions (Cambridge, England : 2003)","2016","45","14","6004","6014","10.1039/c5dt02535d","","","0.71073","MoKα","","0.1128","0.0648","","","0.1175","0.1416","","","","","","1.028","","","","has coordinates","181728","2020-10-21","18:00:00",""
"7036096","7.7728","0.0004","9.8848","0.0004","16.9636","0.001","87.573","0.004","79.144","0.005","70.342","0.004","1205.12","0.11","150.02","0.13","150.02","0.13","","","","","","","","6","P -1","-P 1","2","","","","- C17 H43 Mg N O2 Si2 -","- C17 H43 Mg N O2 Si2 -","- C34 H86 Mg2 N2 O4 Si4 -","2","1","","Goodwin, Conrad A. P.; Smith, Alex; Ortu, Fabrizio; Vitorica-Yrezabal, Iñigo J; Mills, David P.","Salt metathesis versus protonolysis routes for the synthesis of silylamide Hauser base (R2NMgX; X = halogen) and amido-Grignard (R2NMgR) complexes.","Dalton transactions (Cambridge, England : 2003)","2016","45","14","6004","6014","10.1039/c5dt02535d","","","0.71073","MoKα","","0.0531","0.0422","","","0.0953","0.1019","","","","","","1.05","","","","has coordinates","181728","2020-10-21","18:00:00",""
"7036097","8.3413","0.0007","9.1521","0.0006","14.4572","0.001","76.25","0.006","80.293","0.006","84.415","0.006","1054.8","0.14","150.01","0.1","150.01","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C32 H78 Mg2 N2 Si4 -","- C32 H78 Mg2 N2 Si4 -","- C32 H78 Mg2 N2 Si4 -","1","0.5","","Goodwin, Conrad A. P.; Smith, Alex; Ortu, Fabrizio; Vitorica-Yrezabal, Iñigo J; Mills, David P.","Salt metathesis versus protonolysis routes for the synthesis of silylamide Hauser base (R2NMgX; X = halogen) and amido-Grignard (R2NMgR) complexes.","Dalton transactions (Cambridge, England : 2003)","2016","45","14","6004","6014","10.1039/c5dt02535d","","","0.71073","MoKα","","0.0608","0.0459","","","0.1014","0.1123","","","","","","1.048","","","","has coordinates","181728","2020-10-21","18:00:00",""
"7036098","9.0592","0.0009","10.5786","0.0009","14.0661","0.0013","104.507","0.007","94.56","0.008","114.542","0.008","1161.1","0.2","150.01","0.1","150.01","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C38 H90 Mg2 N2 Si4 -","- C38 H90 Mg2 N2 Si4 -","- C38 H90 Mg2 N2 Si4 -","1","0.5","","Goodwin, Conrad A. P.; Smith, Alex; Ortu, Fabrizio; Vitorica-Yrezabal, Iñigo J; Mills, David P.","Salt metathesis versus protonolysis routes for the synthesis of silylamide Hauser base (R2NMgX; X = halogen) and amido-Grignard (R2NMgR) complexes.","Dalton transactions (Cambridge, England : 2003)","2016","45","14","6004","6014","10.1039/c5dt02535d","","x-ray","0.71073","MoKα","","0.0963","0.0585","","","0.1048","0.1181","","","","","","1.022","","","","has coordinates","181728","2020-10-21","18:00:00",""
"7036099","31.4565","0.0018","10.5855","0.0005","14.2235","0.0007","90","","105.608","0.005","90","","4561.5","0.4","120","2","120","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C32 H76 I2 Mg2 N2 O2 Si4 -","- C32 H76 I2 Mg2 N2 O2 Si4 -","- C128 H304 I8 Mg8 N8 O8 Si16 -","4","0.5","","Goodwin, Conrad A. P.; Smith, Alex; Ortu, Fabrizio; Vitorica-Yrezabal, Iñigo J; Mills, David P.","Salt metathesis versus protonolysis routes for the synthesis of silylamide Hauser base (R2NMgX; X = halogen) and amido-Grignard (R2NMgR) complexes.","Dalton transactions (Cambridge, England : 2003)","2016","45","14","6004","6014","10.1039/c5dt02535d","","x-ray","0.71073","MoKα","","0.0654","0.0496","","","0.1271","0.1389","","","","","","1.066","","","","has coordinates","181728","2020-10-21","18:00:00",""
"7036100","25.268","0.003","16.935","0.004","13.2403","0.0017","90","","117.029","0.012","90","","5046.9","1.6","150.01","0.1","150.01","0.1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C42 H94 Mg2 N2 Si4 -","- C42 H94 Mg2 N2 Si4 -","- C168 H376 Mg8 N8 Si16 -","4","0.5","","Goodwin, Conrad A. P.; Smith, Alex; Ortu, Fabrizio; Vitorica-Yrezabal, Iñigo J; Mills, David P.","Salt metathesis versus protonolysis routes for the synthesis of silylamide Hauser base (R2NMgX; X = halogen) and amido-Grignard (R2NMgR) complexes.","Dalton transactions (Cambridge, England : 2003)","2016","45","14","6004","6014","10.1039/c5dt02535d","","x-ray","0.71073","MoKα","","0.1424","0.1003","","","0.1918","0.206","","","","","","1.13","","","","has coordinates,has disorder","181728","2020-10-21","18:00:00",""
"7036133","38.818","0.0008","12.013","0.0003","20.7022","0.0005","90","","121.797","0.002","90","","8205","0.4","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C18 H60 As2 Ce2 N12 S8 -","- C18 H60 As2 Ce2 N12 S8 -","- C144 H480 As16 Ce16 N96 S64 -","8","1","","Zhao, Rong-Qing; Liu, Xing; Zhou, Jian; Xiao, Hong-Ping; Zou, Hua-Hong; Fu, Lianshe; Tang, Qiuling; Tan, Xiao-Feng","The first examples of 1-D organic hybrid lanthanoid thioarsenates based on two [As(V)S4](3-) linkage modes.","Dalton transactions (Cambridge, England : 2003)","2016","45","14","6015","6022","10.1039/c5dt02188j","","","0.71073","MoKα","","0.0473","0.0355","","","0.0872","0.0961","","","","","","1.01","","","","has coordinates,has disorder","181727","2020-10-21","18:00:00",""
"7036134","38.7385","0.0004","11.9989","0.0001","20.67","0.0002","90","","121.749","0.001","90","","8170.12","0.16","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C18 H60 As2 N12 Pr2 S8 -","- C18 H60 As2 N12 Pr2 S8 -","- C144 H480 As16 N96 Pr16 S64 -","8","1","","Zhao, Rong-Qing; Liu, Xing; Zhou, Jian; Xiao, Hong-Ping; Zou, Hua-Hong; Fu, Lianshe; Tang, Qiuling; Tan, Xiao-Feng","The first examples of 1-D organic hybrid lanthanoid thioarsenates based on two [As(V)S4](3-) linkage modes.","Dalton transactions (Cambridge, England : 2003)","2016","45","14","6015","6022","10.1039/c5dt02188j","","","0.71073","MoKα","","0.0361","0.0285","","","0.0976","0.1039","","","","","","1.012","","","","has coordinates,has disorder","181727","2020-10-21","18:00:00",""
"7036135","38.7276","0.0008","11.9905","0.0003","20.6659","0.0004","90","","121.798","0.002","90","","8156.2","0.4","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C18 H60 As2 N12 Nd2 S8 -","- C18 H60 As2 N12 Nd2 S8 -","- C144 H480 As16 N96 Nd16 S64 -","8","1","","Zhao, Rong-Qing; Liu, Xing; Zhou, Jian; Xiao, Hong-Ping; Zou, Hua-Hong; Fu, Lianshe; Tang, Qiuling; Tan, Xiao-Feng","The first examples of 1-D organic hybrid lanthanoid thioarsenates based on two [As(V)S4](3-) linkage modes.","Dalton transactions (Cambridge, England : 2003)","2016","45","14","6015","6022","10.1039/c5dt02188j","","","0.71073","MoKα","","0.0596","0.0507","","","0.1355","0.1445","","","","","","1.056","","","","has coordinates,has disorder","181727","2020-10-21","18:00:00",""
"7036136","38.7381","0.0009","11.9872","0.0003","20.5952","0.0005","90","","121.791","0.002","90","","8128.8","0.4","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C18 H60 As2 N12 S8 Sm2 -","- C18 H60 As2 N12 S8 Sm2 -","- C144 H480 As16 N96 S64 Sm16 -","8","1","","Zhao, Rong-Qing; Liu, Xing; Zhou, Jian; Xiao, Hong-Ping; Zou, Hua-Hong; Fu, Lianshe; Tang, Qiuling; Tan, Xiao-Feng","The first examples of 1-D organic hybrid lanthanoid thioarsenates based on two [As(V)S4](3-) linkage modes.","Dalton transactions (Cambridge, England : 2003)","2016","45","14","6015","6022","10.1039/c5dt02188j","","","0.71073","MoKα","","0.0458","0.0366","","","0.0845","0.0918","","","","","","1.021","","","","has coordinates,has disorder","181727","2020-10-21","18:00:00",""
"7036137","9.3565","0.0005","19.564","0.001","14.1839","0.0006","90","","129.238","0.002","90","","2010.95","0.18","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C9 H30 As N6 S4 Tb -","- C9 H29.2 As N6 S4 Tb -","- C36 H116.8 As4 N24 S16 Tb4 -","4","1","","Zhao, Rong-Qing; Liu, Xing; Zhou, Jian; Xiao, Hong-Ping; Zou, Hua-Hong; Fu, Lianshe; Tang, Qiuling; Tan, Xiao-Feng","The first examples of 1-D organic hybrid lanthanoid thioarsenates based on two [As(V)S4](3-) linkage modes.","Dalton transactions (Cambridge, England : 2003)","2016","45","14","6015","6022","10.1039/c5dt02188j","","","0.71073","MoKα","","0.0401","0.0378","","","0.1094","0.1118","","","","","","1.066","","","","has coordinates,has disorder","181727","2020-10-21","18:00:00",""
"7036138","9.3353","0.0009","19.5603","0.0018","14.2064","0.001","90","","128.973","0.004","90","","2016.8","0.3","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C9 H30 As Dy N6 S4 -","- C9 H29.1 As Dy N6 S4 -","- C36 H116.4 As4 Dy4 N24 S16 -","4","1","","Zhao, Rong-Qing; Liu, Xing; Zhou, Jian; Xiao, Hong-Ping; Zou, Hua-Hong; Fu, Lianshe; Tang, Qiuling; Tan, Xiao-Feng","The first examples of 1-D organic hybrid lanthanoid thioarsenates based on two [As(V)S4](3-) linkage modes.","Dalton transactions (Cambridge, England : 2003)","2016","45","14","6015","6022","10.1039/c5dt02188j","","","0.71073","MoKα","","0.051","0.0457","","","0.1263","0.1309","","","","","","1.055","","","","has coordinates,has disorder","181727","2020-10-21","18:00:00",""
"7036139","9.3226","0.0006","19.5184","0.0012","14.1847","0.0007","90","","128.966","0.003","90","","2006.8","0.2","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C9 H30 As Ho N6 S4 -","- C9 H30 As Ho N6 S4 -","- C36 H120 As4 Ho4 N24 S16 -","4","1","","Zhao, Rong-Qing; Liu, Xing; Zhou, Jian; Xiao, Hong-Ping; Zou, Hua-Hong; Fu, Lianshe; Tang, Qiuling; Tan, Xiao-Feng","The first examples of 1-D organic hybrid lanthanoid thioarsenates based on two [As(V)S4](3-) linkage modes.","Dalton transactions (Cambridge, England : 2003)","2016","45","14","6015","6022","10.1039/c5dt02188j","","","0.71073","MoKα","","0.0412","0.0364","","","0.1032","0.1219","","","","","","1.127","","","","has coordinates","181727","2020-10-21","18:00:00",""
"7036140","9.2966","0.0008","19.4847","0.0016","14.1712","0.0009","90","","128.834","0.004","90","","1999.6","0.3","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C9 H24 As Er N6 S4 -","- C9 H24 As Er N6 S4 -","- C36 H96 As4 Er4 N24 S16 -","4","1","","Zhao, Rong-Qing; Liu, Xing; Zhou, Jian; Xiao, Hong-Ping; Zou, Hua-Hong; Fu, Lianshe; Tang, Qiuling; Tan, Xiao-Feng","The first examples of 1-D organic hybrid lanthanoid thioarsenates based on two [As(V)S4](3-) linkage modes.","Dalton transactions (Cambridge, England : 2003)","2016","45","14","6015","6022","10.1039/c5dt02188j","","","0.71073","MoKα","","0.0447","0.0381","","","0.1007","0.1068","","","","","","1.049","","","","has coordinates","181727","2020-10-21","18:00:00",""
"7036141","8.9342","0.0008","15.4964","0.0014","25.966","0.002","90","","90","","90","","3594.9","0.5","193","2","193","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C8 H26 As Er N6 S4 -","- C8 H26 As Er N6 S4 -","- C64 H208 As8 Er8 N48 S32 -","8","1","","Zhao, Rong-Qing; Liu, Xing; Zhou, Jian; Xiao, Hong-Ping; Zou, Hua-Hong; Fu, Lianshe; Tang, Qiuling; Tan, Xiao-Feng","The first examples of 1-D organic hybrid lanthanoid thioarsenates based on two [As(V)S4](3-) linkage modes.","Dalton transactions (Cambridge, England : 2003)","2016","45","14","6015","6022","10.1039/c5dt02188j","","","0.71073","MoKα","","0.0295","0.0252","","","0.0662","0.0695","","","","","","1.091","","","","has coordinates","181727","2020-10-21","18:00:00",""
"7036242","7.4543","0.0019","8.4923","0.0015","14.361","0.005","79.88","0.03","82.1","0.03","66.47","0.02","818.3","0.4","93","","93","","","","","","","","","3","P -1","-P 1","2","","","","- C18 H24 P2 -","- C18 H24 P2 -","- C36 H48 P4 -","2","1","","Taylor, Laurence J.; Surgenor, Brian A.; Wawrzyniak, Piotr; Ray, Matthew J.; Cordes, David B.; Slawin, Alexandra M. Z.; Kilian, Petr","Spontaneous dehydrocoupling in peri-substituted phosphine-borane adducts.","Dalton transactions (Cambridge, England : 2003)","2016","45","5","1976","1986","10.1039/c5dt02539g","","","0.71075","MoKα","","0.0913","0.0643","","","0.1416","0.1599","","","","","","1.084","","","","has coordinates","176075","2020-10-21","18:00:00",""
"7036243","15.806","0.005","13.022","0.004","12.835","0.004","90","","94.825","0.006","90","","2632.4","1.4","93","","93","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H38 B2 Fe P2 -","- C28 H38 B2 Fe P2 -","- C112 H152 B8 Fe4 P8 -","4","1","","Taylor, Laurence J.; Surgenor, Brian A.; Wawrzyniak, Piotr; Ray, Matthew J.; Cordes, David B.; Slawin, Alexandra M. Z.; Kilian, Petr","Spontaneous dehydrocoupling in peri-substituted phosphine-borane adducts.","Dalton transactions (Cambridge, England : 2003)","2016","45","5","1976","1986","10.1039/c5dt02539g","","","0.71075","MoKα","","0.0623","0.0513","","","0.1474","0.1533","","","","","","1.018","","","","has coordinates","176075","2020-10-21","18:00:00",""
"7036244","8.3375","0.0011","9.4724","0.0014","16.108","0.002","101.888","0.0017","93.165","0.003","112.772","0.003","1134.9","0.3","173","","173","","","","","","","","","4","P -1","-P 1","2","","","","- C24 H32 B2 P2 -","- C24 H32 B2 P2 -","- C48 H64 B4 P4 -","2","1","","Taylor, Laurence J.; Surgenor, Brian A.; Wawrzyniak, Piotr; Ray, Matthew J.; Cordes, David B.; Slawin, Alexandra M. Z.; Kilian, Petr","Spontaneous dehydrocoupling in peri-substituted phosphine-borane adducts.","Dalton transactions (Cambridge, England : 2003)","2016","45","5","1976","1986","10.1039/c5dt02539g","","","0.71075","MoKα","","0.0411","0.0362","","","0.1014","0.1041","","","","","","1.066","","","","has coordinates","176075","2020-10-21","18:00:00",""
"7036245","15.409","0.005","11.059","0.003","16.712","0.006","90","","114.651","0.005","90","","2588.3","1.4","93","","93","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C28 H36 B2 Fe P2 -","- C28 H36 B2 Fe P2 -","- C112 H144 B8 Fe4 P8 -","4","2","","Taylor, Laurence J.; Surgenor, Brian A.; Wawrzyniak, Piotr; Ray, Matthew J.; Cordes, David B.; Slawin, Alexandra M. Z.; Kilian, Petr","Spontaneous dehydrocoupling in peri-substituted phosphine-borane adducts.","Dalton transactions (Cambridge, England : 2003)","2016","45","5","1976","1986","10.1039/c5dt02539g","","","0.71075","MoKα","","0.106","0.0948","","","0.2572","0.2647","","","","","","1.171","","","","has coordinates","176075","2020-10-21","18:00:00",""
"7036246","14.0458","0.0016","18.841","0.002","14.4671","0.0014","90","","100.176","0.003","90","","3768.3","0.7","173","","173","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H28 B2 P2 -","- C18 H28 B2 P2 -","- C144 H224 B16 P16 -","8","2","","Taylor, Laurence J.; Surgenor, Brian A.; Wawrzyniak, Piotr; Ray, Matthew J.; Cordes, David B.; Slawin, Alexandra M. Z.; Kilian, Petr","Spontaneous dehydrocoupling in peri-substituted phosphine-borane adducts.","Dalton transactions (Cambridge, England : 2003)","2016","45","5","1976","1986","10.1039/c5dt02539g","","","0.71075","MoKα","","0.0514","0.036","","","0.0979","0.1045","","","","","","1.038","","","","has coordinates","176075","2020-10-21","18:00:00",""
"7036285","11.177","0.0001","25.612","0.0003","22.889","0.0003","90","","96.622","0.001","90","","6508.61","0.13","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C69.5 H94 Mg N6 -","- C69.5 H93.5 Mg N6 -","- C278 H374 Mg4 N24 -","4","1","","Carbery, David R.; Hill, Michael S.; Mahon, Mary F.; Weetman, Catherine","Facile kinetic induction of a dihydropyridide to pyrrolide ring contraction.","Dalton transactions (Cambridge, England : 2003)","2016","45","14","5925","5928","10.1039/c5dt02887f","","","0.71073","MoKα","","0.0843","0.0534","","","0.1173","0.1339","","","","","","1.09","","","","has coordinates","181735","2020-10-21","18:00:00",""
"7036288","9.635","0.001","18.324","0.001","23.37","0.001","90","","108.913","0.003","90","","3903.3","0.5","150","0.1","150","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C44 H37 Cl2 N3 P2 Pd -","- C44 H37 Cl2 N3 P2 Pd -","- C176 H148 Cl8 N12 P8 Pd4 -","4","1","","Cheisson, Thibault; Auffrant, Audrey","Palladium(ii) complexes featuring a mixed phosphine-pyridine-iminophosphorane pincer ligand: synthesis and reactivity.","Dalton transactions (Cambridge, England : 2003)","2016","45","5","2069","2078","10.1039/c5dt02789f","","","0.71069","MoKα","","0.0506","0.0391","","","0.0739","0.0792","","","","","","1.077","","","","has coordinates","176095","2020-10-21","18:00:00",""
"7036289","12.601","0.001","16.725","0.001","41.916","0.001","90","","90","","90","","8833.9","0.9","150","0.1","150","0.1","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C42 H37 B2 F8 N3 P2 Pd -","- C42 H37 B2 F8 N3 P2 Pd -","- C336 H296 B16 F64 N24 P16 Pd8 -","8","1","","Cheisson, Thibault; Auffrant, Audrey","Palladium(ii) complexes featuring a mixed phosphine-pyridine-iminophosphorane pincer ligand: synthesis and reactivity.","Dalton transactions (Cambridge, England : 2003)","2016","45","5","2069","2078","10.1039/c5dt02789f","","","0.71069","MoKα","","0.0728","0.0713","","","0.1551","0.1557","","","","","","1.225","","","","has coordinates,has disorder","176095","2020-10-21","18:00:00",""
"7036290","11.009","0.001","12.528","0.001","22.713","0.001","90","","92.606","0.001","90","","3129.4","0.4","150","0.1","150","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C37 H31 Cl N2 P2 Pd -","- C37 H31 Cl N2 P2 Pd -","- C148 H124 Cl4 N8 P8 Pd4 -","4","1","","Cheisson, Thibault; Auffrant, Audrey","Palladium(ii) complexes featuring a mixed phosphine-pyridine-iminophosphorane pincer ligand: synthesis and reactivity.","Dalton transactions (Cambridge, England : 2003)","2016","45","5","2069","2078","10.1039/c5dt02789f","","","0.71069","MoKα","","0.1163","0.0704","","","0.1434","0.1754","","","","","","1.151","","","","has coordinates","176095","2020-10-21","18:00:00",""
"7036291","14.503","0.001","14.797","0.001","17.647","0.001","78.966","0.001","69.404","0.001","72.013","0.001","3357.2","0.4","150","0.1","150","0.1","","","","","","","","7","P -1","-P 1","2","","","","- C56 H34 B F15 N2 P2 Pd -","- C56 H34 B F15 N2 P2 Pd -","- C112 H68 B2 F30 N4 P4 Pd2 -","2","1","","Cheisson, Thibault; Auffrant, Audrey","Palladium(ii) complexes featuring a mixed phosphine-pyridine-iminophosphorane pincer ligand: synthesis and reactivity.","Dalton transactions (Cambridge, England : 2003)","2016","45","5","2069","2078","10.1039/c5dt02789f","","","0.71069","MoKα","","0.0557","0.0454","","","0.1158","0.1241","","","","","","1.05","","","","has coordinates","176095","2020-10-21","18:00:00",""
"7036296","9.9935","0.0014","14.054","0.002","15.83","0.002","90","","90","","90","","2223.3","0.5","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C21 H32 N O P Sn -","- C21 H32 N O P Sn -","- C84 H128 N4 O4 P4 Sn4 -","4","1","","Del Águila-Sánchez, Miguel A; Navarro, Yolanda; García López, Jesús; Guedes, Guilherme P.; López Ortiz, Fernando","Synthesis of P-stereogenic diarylphosphinic amides by directed lithiation: transformation into tertiary phosphine oxides via methanolysis, aryne chemistry and complexation behaviour toward zinc(ii).","Dalton transactions (Cambridge, England : 2003)","2016","45","5","2008","2022","10.1039/c5dt02860d","","x-ray","0.71073","MoKα","","0.0519","0.0454","","","0.0916","0.0936","","","","","","1.058","","","","has coordinates","176069","2020-10-21","18:00:00",""
"7036297","10.1337","0.0007","10.2928","0.0007","18.662","0.0013","90","","90","","90","","1946.5","0.2","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C18 H23 I N O P -","- C18 H23 I N O P -","- C72 H92 I4 N4 O4 P4 -","4","1","","Del Águila-Sánchez, Miguel A; Navarro, Yolanda; García López, Jesús; Guedes, Guilherme P.; López Ortiz, Fernando","Synthesis of P-stereogenic diarylphosphinic amides by directed lithiation: transformation into tertiary phosphine oxides via methanolysis, aryne chemistry and complexation behaviour toward zinc(ii).","Dalton transactions (Cambridge, England : 2003)","2016","45","5","2008","2022","10.1039/c5dt02860d","","x-ray","0.71073","MoKα","","0.0337","0.0323","","","0.0803","0.0816","","","","","","1.099","","","","has coordinates","176069","2020-10-21","18:00:00",""
"7036298","9.8384","0.0002","17.1397","0.0004","17.4704","0.0004","90","","90","","90","","2945.99","0.11","100","2","100","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C30 H33 Cl2 N O2 P2 Zn -","- C30 H33 Cl2 N O2 P2 Zn -","- C120 H132 Cl8 N4 O8 P8 Zn4 -","4","1","","Del Águila-Sánchez, Miguel A; Navarro, Yolanda; García López, Jesús; Guedes, Guilherme P.; López Ortiz, Fernando","Synthesis of P-stereogenic diarylphosphinic amides by directed lithiation: transformation into tertiary phosphine oxides via methanolysis, aryne chemistry and complexation behaviour toward zinc(ii).","Dalton transactions (Cambridge, England : 2003)","2016","45","5","2008","2022","10.1039/c5dt02860d","","x-ray","1.54178","CuKα","","0.0335","0.0293","","","0.0665","0.0685","","","","","","1.073","","","","has coordinates","176069","2020-10-21","18:00:00",""
"7036299","9.3648","0.0002","9.3648","0.0002","51.2257","0.0012","90","","90","","90","","4492.47","0.17","100","2","100","2","","","","","","","","6","P 43 21 2","P 4nw 2abw","96","","","","- C21 H32 N O P Sn -","- C21 H32 N O P Sn -","- C168 H256 N8 O8 P8 Sn8 -","8","1","","Del Águila-Sánchez, Miguel A; Navarro, Yolanda; García López, Jesús; Guedes, Guilherme P.; López Ortiz, Fernando","Synthesis of P-stereogenic diarylphosphinic amides by directed lithiation: transformation into tertiary phosphine oxides via methanolysis, aryne chemistry and complexation behaviour toward zinc(ii).","Dalton transactions (Cambridge, England : 2003)","2016","45","5","2008","2022","10.1039/c5dt02860d","","x-ray","1.54178","CuKα","","0.0535","0.0528","","","0.1369","0.1376","","","","","","1.047","","","","has coordinates","176069","2020-10-21","18:00:00",""
"7036321","16.7738","0.0004","10.7853","0.0002","20.6732","0.0005","90","","95.943","0.001","90","","3719.9","0.14","173","2","173","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C36 H58 P4 -","- C35.991 H57.973 P4 -","- C143.964 H231.892 P16 -","4","1","","Bresien, Jonas; Faust, Kirill; Hering-Junghans, Christian; Rothe, Julia; Schulz, Axel; Villinger, Alexander","Synthetic strategies to bicyclic tetraphosphanes using P1, P2 and P4 building blocks.","Dalton transactions (Cambridge, England : 2003)","2016","45","5","1998","2007","10.1039/c5dt02757h","","","0.71073","MoKα","","0.0801","0.0499","","","0.1181","0.1346","","","","","","1.029","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7036322","15.0599","0.0007","18.3797","0.0008","14.333","0.0007","90","","109.316","0.003","90","","3744","0.3","173","2","173","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C36 H58 P4 -","- C36 H58 P4 -","- C144 H232 P16 -","4","1","","Bresien, Jonas; Faust, Kirill; Hering-Junghans, Christian; Rothe, Julia; Schulz, Axel; Villinger, Alexander","Synthetic strategies to bicyclic tetraphosphanes using P1, P2 and P4 building blocks.","Dalton transactions (Cambridge, England : 2003)","2016","45","5","1998","2007","10.1039/c5dt02757h","","","0.71073","MoKα","","0.1135","0.0539","","","0.1099","0.1342","","","","","","1.02","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7036323","10.477","0.0005","13.2999","0.0008","13.5005","0.0007","102.674","0.004","93.615","0.004","90.136","0.004","1831.46","0.17","173","2","173","2","","","","","","","","3","P -1","-P 1","2","","","","- C36 H59 P4 -","- C36 H58 P4 -","- C72 H116 P8 -","2","1","","Bresien, Jonas; Faust, Kirill; Hering-Junghans, Christian; Rothe, Julia; Schulz, Axel; Villinger, Alexander","Synthetic strategies to bicyclic tetraphosphanes using P1, P2 and P4 building blocks.","Dalton transactions (Cambridge, England : 2003)","2016","45","5","1998","2007","10.1039/c5dt02757h","","","0.71073","MoKα","","0.183","0.0616","","","0.0905","0.1226","","","","","","0.98","","","","has coordinates","176073","2020-10-21","18:00:00",""
"7036324","26.7411","0.0007","13.5063","0.0004","12.5618","0.0003","90","","90","","90","","4537","0.2","173","2","173","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C39 H65 Cl3 Ga P4 -","- C36 H58 Cl3 Ga P4 -","- C144 H232 Cl12 Ga4 P16 -","4","0.5","","Bresien, Jonas; Faust, Kirill; Hering-Junghans, Christian; Rothe, Julia; Schulz, Axel; Villinger, Alexander","Synthetic strategies to bicyclic tetraphosphanes using P1, P2 and P4 building blocks.","Dalton transactions (Cambridge, England : 2003)","2016","45","5","1998","2007","10.1039/c5dt02757h","","","0.71073","MoKα","","0.0637","0.0512","","","0.1301","0.1357","","","","","","1.063","","","","has coordinates,has disorder","176073","2020-10-21","18:00:00",""
"7036325","13.2689","0.0004","12.9252","0.0005","14.1556","0.0005","90","","90.676","0.002","90","","2427.56","0.15","173","2","173","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C43 H66 Cl3 Ga P4 -","- C43 H66 Cl3 Ga P4 -","- C86 H132 Cl6 Ga2 P8 -","2","0.5","","Bresien, Jonas; Faust, Kirill; Hering-Junghans, Christian; Rothe, Julia; Schulz, Axel; Villinger, Alexander","Synthetic strategies to bicyclic tetraphosphanes using P1, P2 and P4 building blocks.","Dalton transactions (Cambridge, England : 2003)","2016","45","5","1998","2007","10.1039/c5dt02757h","","","0.71073","MoKα","","0.0716","0.0394","","","0.0823","0.0945","","","","","","1.022","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7036326","13.3333","0.0004","12.9538","0.0004","14.1349","0.0005","90","","91.834","0.002","90","","2440.09","0.14","173","2","173","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C37.5 H61 Cl6 Ga P4 -","- C36 H59 Cl3 Ga P4 -","- C72 H118 Cl6 Ga2 P8 -","2","0.5","","Bresien, Jonas; Faust, Kirill; Hering-Junghans, Christian; Rothe, Julia; Schulz, Axel; Villinger, Alexander","Synthetic strategies to bicyclic tetraphosphanes using P1, P2 and P4 building blocks.","Dalton transactions (Cambridge, England : 2003)","2016","45","5","1998","2007","10.1039/c5dt02757h","","","0.71073","MoKα","","0.0311","0.0259","","","0.071","0.0726","","","","","","1.092","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7036327","10.0058","0.0005","26.4841","0.0011","9.9173","0.0005","90","","101.035","0.002","90","","2579.4","0.2","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H43 N P2 -","- C24 H43 N P2 -","- C96 H172 N4 P8 -","4","1","","Bresien, Jonas; Faust, Kirill; Hering-Junghans, Christian; Rothe, Julia; Schulz, Axel; Villinger, Alexander","Synthetic strategies to bicyclic tetraphosphanes using P1, P2 and P4 building blocks.","Dalton transactions (Cambridge, England : 2003)","2016","45","5","1998","2007","10.1039/c5dt02757h","","","0.71073","MoKα","","0.0688","0.05","","","0.1263","0.1407","","","","","","1.028","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7036328","9.3749","0.0006","16.9528","0.0011","17.6869","0.001","90","","101.224","0.003","90","","2757.2","0.3","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H47 P Si2 -","- C24 H47 P Si2 -","- C96 H188 P4 Si8 -","4","1","","Bresien, Jonas; Faust, Kirill; Hering-Junghans, Christian; Rothe, Julia; Schulz, Axel; Villinger, Alexander","Synthetic strategies to bicyclic tetraphosphanes using P1, P2 and P4 building blocks.","Dalton transactions (Cambridge, England : 2003)","2016","45","5","1998","2007","10.1039/c5dt02757h","","","0.71073","MoKα","","0.0974","0.0475","","","0.0979","0.1154","","","","","","1.002","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7036329","10.3991","0.0005","12.2633","0.0006","13.9503","0.0008","90","","97.325","0.002","90","","1764.52","0.16","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","1-chloro-N,N-diethyl-1-(2,2,6,6-tetramethylpiperidin-1-yl)phosphanamine","","- C15 H32 Cl N2 P -","- C15 H32 Cl N2 P -","- C60 H128 Cl4 N8 P4 -","4","1","","Blum, M.; Puntigam, O.; Plebst, S.; Ehret, F.; Bender, J.; Nieger, M.; Gudat, D.","On the energetics of P-P bond dissociation of sterically strained tetraamino-diphosphanes.","Dalton transactions (Cambridge, England : 2003)","2016","45","5","1987","1997","10.1039/c5dt02854j","","","0.71073","MoKα","","0.0422","0.0321","","","0.0831","0.0893","","","","","","1.06","","","","has coordinates","176074","2020-10-21","18:00:00",""
"7036330","8.3594","0.0006","9.0786","0.0006","18.6456","0.0012","90","","92.968","0.003","90","","1413.15","0.17","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","N^1^,N^1^,N^2^,N^2^-tetraethyl-1,2-bis(2,2,6,6-tetramethylpiperidin-1-yl)-diphosphane-1,2-diamine","","- C26 H56 N4 P2 -","- C26 H56 N4 P2 -","- C52 H112 N8 P4 -","2","0.5","","Blum, M.; Puntigam, O.; Plebst, S.; Ehret, F.; Bender, J.; Nieger, M.; Gudat, D.","On the energetics of P-P bond dissociation of sterically strained tetraamino-diphosphanes.","Dalton transactions (Cambridge, England : 2003)","2016","45","5","1987","1997","10.1039/c5dt02854j","","","0.71073","MoKα","","0.0604","0.0404","","","0.0982","0.1078","","","","","","1.036","","","","has coordinates","176074","2020-10-21","18:00:00",""
"7036331","16.522","0.002","17.526","0.002","11.2185","0.0015","90","","90","","90","","3248.5","0.7","100","2","100","2","","","","","","","","4","P 21 21 2","P 2 2ab","18","","N^1^,N^1^,N^2^,N^2^-tetraisopropyl-1,2-bis(2,2,6,6-tetramethylpiperidin-1-yl)-diphosphane-1,2-diamine","","- C30 H64 N4 P2 -","- C30 H64 N4 P2 -","- C120 H256 N16 P8 -","4","1","","Blum, M.; Puntigam, O.; Plebst, S.; Ehret, F.; Bender, J.; Nieger, M.; Gudat, D.","On the energetics of P-P bond dissociation of sterically strained tetraamino-diphosphanes.","Dalton transactions (Cambridge, England : 2003)","2016","45","5","1987","1997","10.1039/c5dt02854j","","","0.71073","MoKα","","0.1469","0.0668","","","0.1002","0.1229","","","","","","0.991","","","","has coordinates","176074","2020-10-21","18:00:00",""
"7036415","11.349","0.0002","12.5217","0.0003","20.7425","0.0004","103.336","0.002","93.017","0.002","108.594","0.001","2692.92","0.1","223","2","223","2","","","","","","","","5","P -1","-P 1","2","","","","- C57 H47 B F10 P2 -","- C57 H47 B F10 P2 -","- C114 H94 B2 F20 P4 -","2","1","","Klose, Annika; Kehr, Gerald; Daniliuc, Constantin G.; Erker, Gerhard","Phosphole formation by 1,1-carboboration - reactions of bis-alkynyl phosphanes with a frustrated P/B Lewis pair.","Dalton transactions (Cambridge, England : 2003)","2016","45","5","2023","2030","10.1039/c5dt03055b","","","0.71073","MoKα","","0.0659","0.0571","","","0.1536","0.1601","","","","","","1.071","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7036416","13.8113","0.0005","14.0951","0.0005","16.4458","0.0009","97.778","0.002","99.423","0.002","118.03","0.003","2703.8","0.2","223","2","223","2","","","","","","","","5","P -1","-P 1","2","","","","- C63 H59 B F10 P2 -","- C63 H59 B F10 P2 -","- C126 H118 B2 F20 P4 -","2","1","","Klose, Annika; Kehr, Gerald; Daniliuc, Constantin G.; Erker, Gerhard","Phosphole formation by 1,1-carboboration - reactions of bis-alkynyl phosphanes with a frustrated P/B Lewis pair.","Dalton transactions (Cambridge, England : 2003)","2016","45","5","2023","2030","10.1039/c5dt03055b","","","1.54178","CuKα","","0.0753","0.0548","","","0.139","0.1546","","","","","","1.017","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7036417","11.1621","0.0003","15.9872","0.0004","19.7607","0.0006","93.009","0.002","96.384","0.002","109.293","0.002","3292.64","0.16","223","2","223","2","","","","","","","","6","P -1","-P 1","2","","","","- C71 H65 B Cl4 F10 P2 -","- C71 H65 B Cl4 F10 P2 -","- C142 H130 B2 Cl8 F20 P4 -","2","1","","Klose, Annika; Kehr, Gerald; Daniliuc, Constantin G.; Erker, Gerhard","Phosphole formation by 1,1-carboboration - reactions of bis-alkynyl phosphanes with a frustrated P/B Lewis pair.","Dalton transactions (Cambridge, England : 2003)","2016","45","5","2023","2030","10.1039/c5dt03055b","","","1.54178","CuKα","","0.0699","0.052","","","0.132","0.144","","","","","","1.045","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7036438","22.085","0.004","13.0664","0.0019","23.157","0.006","90","","96.49","0.018","90","","6640","2","150.02","0.1","150.02","0.1","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C37 H46 Al3 B5 Cl22 N8 -","- C37 H46 Al3 B5 Cl22 N8 -","- C148 H184 Al12 B20 Cl88 N32 -","4","0.5","","Lawson, James R.; Fasano, Valerio; Cid, Jessica; Vitorica-Yrezabal, Inigo; Ingleson, Michael J.","The carboboration of Me3Si-substituted alkynes and allenes with boranes and borocations.","Dalton transactions (Cambridge, England : 2003)","2016","45","14","6060","6070","10.1039/c5dt03003j","","","0.71073","MoKα","","0.1521","0.0922","","","0.2207","0.2559","","","","","","1.071","","","","has coordinates,has disorder","181717","2020-10-21","18:00:00",""
"7036439","11.5585","0.0007","18.482","0.0008","12.0048","0.0009","90","","115.161","0.008","90","","2321.2","0.3","150.02","0.1","150.02","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C23 H30 B Br O2 Si -","- C23 H30 B Br O2 Si -","- C92 H120 B4 Br4 O8 Si4 -","4","1","","Lawson, James R.; Fasano, Valerio; Cid, Jessica; Vitorica-Yrezabal, Inigo; Ingleson, Michael J.","The carboboration of Me3Si-substituted alkynes and allenes with boranes and borocations.","Dalton transactions (Cambridge, England : 2003)","2016","45","14","6060","6070","10.1039/c5dt03003j","","","0.71073","MoKα","","0.0929","0.0555","","","0.1156","0.1343","","","","","","1.046","","","","has coordinates,has disorder","181717","2020-10-21","18:00:00",""
"7036484","8.9888","0.0003","24.3719","0.0007","14.414","0.0004","90","","104.306","0.0003","90","","3059.81","0.16","173","2","173","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C26 H27 Cl2 Ge O5 P2 Rh W -","- C26 H27 Cl2 Ge O5 P2 Rh W -","- C104 H108 Cl8 Ge4 O20 P8 Rh4 W4 -","4","1","","Swarnakar, Anindya K.; Ferguson, Michael J.; McDonald, Robert; Rivard, Eric","Transition metal-mediated donor-acceptor coordination of low-oxidation state Group 14 element halides.","Dalton transactions (Cambridge, England : 2003)","2016","45","14","6071","6078","10.1039/c5dt03018h","","","0.71073","MoKα","","0.0179","0.016","","","0.0374","0.0379","","","","","","1.058","","","","has coordinates","181742","2020-10-21","18:00:00",""
"7036485","15.3972","0.0002","9.0453","0.0001","23.3877","0.0003","90","","90.5374","0.0012","90","","3257.12","0.07","173","2","173","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C26.25 H27.5 Cl2.5 O5 P2 Rh Sn W -","- C26 H27 Cl2 O5 P2 Rh Sn W -","- C104 H108 Cl8 O20 P8 Rh4 Sn4 W4 -","4","1","","Swarnakar, Anindya K.; Ferguson, Michael J.; McDonald, Robert; Rivard, Eric","Transition metal-mediated donor-acceptor coordination of low-oxidation state Group 14 element halides.","Dalton transactions (Cambridge, England : 2003)","2016","45","14","6071","6078","10.1039/c5dt03018h","","","1.54178","CuKα","","0.0483","0.0345","","","0.0787","0.0868","","","","","","1.031","","","","has coordinates","181742","2020-10-21","18:00:00",""
"7036486","17.346","0.005","15.351","0.004","18.164","0.005","90","","95.47","0.003","90","","4815","2","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C21 H27 Cl2 P2 Pb Rh -","- C21 H27 Cl2 P2 Pb Rh -","- C168 H216 Cl16 P16 Pb8 Rh8 -","8","2","","Swarnakar, Anindya K.; Ferguson, Michael J.; McDonald, Robert; Rivard, Eric","Transition metal-mediated donor-acceptor coordination of low-oxidation state Group 14 element halides.","Dalton transactions (Cambridge, England : 2003)","2016","45","14","6071","6078","10.1039/c5dt03018h","","","0.71073","MoKα","","0.0609","0.0364","","","0.0737","0.0816","","","","","","1.12","","","","has coordinates","181742","2020-10-21","18:00:00",""
"7036487","12.2135","0.0003","12.5991","0.0003","17.0103","0.0004","80.6961","0.001","81.3382","0.0008","75.25","0.0008","2481.49","0.1","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C48 H43 B F18 P2 Rh -","- C45 H36 B F18 P2 Rh -","- C90 H72 B2 F36 P4 Rh2 -","2","1","","Swarnakar, Anindya K.; Ferguson, Michael J.; McDonald, Robert; Rivard, Eric","Transition metal-mediated donor-acceptor coordination of low-oxidation state Group 14 element halides.","Dalton transactions (Cambridge, England : 2003)","2016","45","14","6071","6078","10.1039/c5dt03018h","","","1.54178","CuKα","","0.0323","0.0319","","","0.0855","0.086","","","","","","1.026","","","","has coordinates,has disorder","181742","2020-10-21","18:00:00",""
"7036488","10.172","0.002","12.807","0.003","20.478","0.004","105.848","0.002","103.959","0.002","93.004","0.003","2470.5","0.9","173","2","173","2","","","","","","","","8","P -1","-P 1","2","","","","- C44 H73 Cl2 Ge O5 P2 Pt W -","- C44 H73 Cl2 Ge O5 P2 Pt W -","- C88 H146 Cl4 Ge2 O10 P4 Pt2 W2 -","2","1","","Swarnakar, Anindya K.; Ferguson, Michael J.; McDonald, Robert; Rivard, Eric","Transition metal-mediated donor-acceptor coordination of low-oxidation state Group 14 element halides.","Dalton transactions (Cambridge, England : 2003)","2016","45","14","6071","6078","10.1039/c5dt03018h","","","0.71073","MoKα","","0.0276","0.0212","","","0.0533","0.0603","","","","","","1.117","","","","has coordinates,has disorder","181742","2020-10-21","18:00:00",""
"7036489","14.891","0.0004","16.324","0.0004","22.1599","0.0006","90","","90","","90","","5386.6","0.2","173","2","173","2","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C47 H80 Cl2 O5 P2 Pt Sn W -","- C47 H80 Cl2 O5 P2 Pt Sn W -","- C188 H320 Cl8 O20 P8 Pt4 Sn4 W4 -","4","1","","Swarnakar, Anindya K.; Ferguson, Michael J.; McDonald, Robert; Rivard, Eric","Transition metal-mediated donor-acceptor coordination of low-oxidation state Group 14 element halides.","Dalton transactions (Cambridge, England : 2003)","2016","45","14","6071","6078","10.1039/c5dt03018h","","","0.71073","MoKα","","0.0193","0.0176","","","0.0399","0.0404","","","","","","1.005","","","","has coordinates,has disorder","181742","2020-10-21","18:00:00",""
"7036598","8.1445","0.0003","7.1178","0.0003","18.406","0.0008","90","","101.823","0.001","90","","1044.38","0.07","153","2","153","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C9 H11 Cl2 P -","- C9 H11 Cl2 P -","- C36 H44 Cl8 P4 -","4","1","","Klöcker, Hans; Layh, Marcus; Hepp, Alexander; Uhl, Werner","Hydroalumination of alkynyl-aminophosphines as a promising tool for the synthesis of unusual phosphines: P-N bond activation, a transient phosphaallene, a zwitterionic AlP2C2 heterocycle and a masked Al/P-based frustrated Lewis pair.","Dalton transactions (Cambridge, England : 2003)","2016","45","5","2031","2043","10.1039/c5dt02825f","","","0.71073","MoKα","","0.0406","0.0357","","","0.0953","0.0988","","","","","","1.093","","","","has coordinates","176072","2020-10-21","18:00:00",""
"7036599","8.8446","0.0005","13.6377","0.0011","12.7896","0.001","90","","95.263","0.003","90","","1536.18","0.19","153","2","153","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C15 H20 Cl P -","- C15 H20 Cl P -","- C60 H80 Cl4 P4 -","4","1","","Klöcker, Hans; Layh, Marcus; Hepp, Alexander; Uhl, Werner","Hydroalumination of alkynyl-aminophosphines as a promising tool for the synthesis of unusual phosphines: P-N bond activation, a transient phosphaallene, a zwitterionic AlP2C2 heterocycle and a masked Al/P-based frustrated Lewis pair.","Dalton transactions (Cambridge, England : 2003)","2016","45","5","2031","2043","10.1039/c5dt02825f","","","0.71073","MoKα","","0.0847","0.0546","","","0.1391","0.155","","","","","","1.023","","","","has coordinates","176072","2020-10-21","18:00:00",""
"7036600","8.6369","0.0003","9.9898","0.0004","13.8908","0.0006","76.3559","0.0011","79.679","0.0011","80.8855","0.0011","1137.36","0.08","153","2","153","2","","","","","","","","4","P -1","-P 1","2","","","","- C27 H30 N P -","- C27 H30 N P -","- C54 H60 N2 P2 -","2","1","","Klöcker, Hans; Layh, Marcus; Hepp, Alexander; Uhl, Werner","Hydroalumination of alkynyl-aminophosphines as a promising tool for the synthesis of unusual phosphines: P-N bond activation, a transient phosphaallene, a zwitterionic AlP2C2 heterocycle and a masked Al/P-based frustrated Lewis pair.","Dalton transactions (Cambridge, England : 2003)","2016","45","5","2031","2043","10.1039/c5dt02825f","","","0.71073","MoKα","","0.0504","0.0431","","","0.1135","0.1182","","","","","","1.043","","","","has coordinates","176072","2020-10-21","18:00:00",""
"7036601","10.8218","0.0005","11.4057","0.0005","12.6079","0.0006","74.341","0.001","70.402","0.001","84.671","0.001","1411.63","0.11","153","2","153","2","","","","","","","","5","P -1","-P 1","2","","","","- C27 H49 Al N P -","- C27 H49 Al N P -","- C54 H98 Al2 N2 P2 -","2","1","","Klöcker, Hans; Layh, Marcus; Hepp, Alexander; Uhl, Werner","Hydroalumination of alkynyl-aminophosphines as a promising tool for the synthesis of unusual phosphines: P-N bond activation, a transient phosphaallene, a zwitterionic AlP2C2 heterocycle and a masked Al/P-based frustrated Lewis pair.","Dalton transactions (Cambridge, England : 2003)","2016","45","5","2031","2043","10.1039/c5dt02825f","","","0.71073","MoKα","","0.0439","0.0387","","","0.109","0.1137","","","","","","1.055","","","","has coordinates,has disorder","176072","2020-10-21","18:00:00",""
"7036602","8.7959","0.0004","19.1209","0.0008","21.9957","0.0009","90","","94.433","0.002","90","","3688.3","0.3","153","2","153","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C38 H61 Al P2 -","- C38 H61 Al P2 -","- C152 H244 Al4 P8 -","4","1","","Klöcker, Hans; Layh, Marcus; Hepp, Alexander; Uhl, Werner","Hydroalumination of alkynyl-aminophosphines as a promising tool for the synthesis of unusual phosphines: P-N bond activation, a transient phosphaallene, a zwitterionic AlP2C2 heterocycle and a masked Al/P-based frustrated Lewis pair.","Dalton transactions (Cambridge, England : 2003)","2016","45","5","2031","2043","10.1039/c5dt02825f","","","0.71073","MoKα","","0.0973","0.0584","","","0.1303","0.1457","","","","","","1.034","","","","has coordinates","176072","2020-10-21","18:00:00",""
"7036603","9.6742","0.0004","10.5505","0.0004","12.2107","0.0005","92.1847","0.001","106.351","0.001","92.2788","0.001","1193.39","0.08","153","2","153","2","","","","","","","","4","P -1","-P 1","2","","","","- C50 H76 Al2 P2 -","- C50 H76 Al2 P2 -","- C50 H76 Al2 P2 -","1","0.5","","Klöcker, Hans; Layh, Marcus; Hepp, Alexander; Uhl, Werner","Hydroalumination of alkynyl-aminophosphines as a promising tool for the synthesis of unusual phosphines: P-N bond activation, a transient phosphaallene, a zwitterionic AlP2C2 heterocycle and a masked Al/P-based frustrated Lewis pair.","Dalton transactions (Cambridge, England : 2003)","2016","45","5","2031","2043","10.1039/c5dt02825f","","","0.71073","MoKα","","0.0462","0.0406","","","0.1055","0.11","","","","","","1.061","","","","has coordinates","176072","2020-10-21","18:00:00",""
"7036646","10.0682","0.0003","12.4824","0.0003","24.4361","0.0006","90","","93.057","0.001","90","","3066.64","0.14","102","","102","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C33 H41 Cl N2 P2 -","- C33 H41 Cl N2 P2 -","- C132 H164 Cl4 N8 P8 -","4","1","","Beil, Andreas; Gilliard, Robert J.; Grützmacher, Hansjörg","From the parent phosphinidene-carbene adduct NHC[double bond, length as m-dash]PH to cationic P4-rings and P2-cycloaddition products.","Dalton transactions (Cambridge, England : 2003)","2016","45","5","2044","2052","10.1039/c5dt03014e","","x-ray","1.54178","CuKα","","0.0513","0.0445","","","0.113","0.1175","","","","","","1.074","","","","has coordinates","176070","2020-10-21","18:00:00",""
"7036647","10.4571","0.0002","10.8862","0.0002","16.6912","0.0003","83.6921","0.0008","82.8084","0.0008","62.1884","0.0008","1664.52","0.05","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C33 H50 Cl N3 P2 -","- C33 H50 Cl N3 P2 -","- C66 H100 Cl2 N6 P4 -","2","1","","Beil, Andreas; Gilliard, Robert J.; Grützmacher, Hansjörg","From the parent phosphinidene-carbene adduct NHC[double bond, length as m-dash]PH to cationic P4-rings and P2-cycloaddition products.","Dalton transactions (Cambridge, England : 2003)","2016","45","5","2044","2052","10.1039/c5dt03014e","","x-ray","0.71073","MoKα","","0.0592","0.0399","","","0.0792","0.0867","","","","","","1.032","","","","has coordinates","176070","2020-10-21","18:00:00",""
"7036648","10.3933","0.0008","24.7035","0.0017","15.9464","0.0012","90","","105.836","0.004","90","","3938.9","0.5","100","","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C33 H50 Cl4 Ga N3 P2 -","- C33 H50 Cl4 Ga N3 P2 -","- C132 H200 Cl16 Ga4 N12 P8 -","4","1","","Beil, Andreas; Gilliard, Robert J.; Grützmacher, Hansjörg","From the parent phosphinidene-carbene adduct NHC[double bond, length as m-dash]PH to cationic P4-rings and P2-cycloaddition products.","Dalton transactions (Cambridge, England : 2003)","2016","45","5","2044","2052","10.1039/c5dt03014e","","x-ray","0.71073","MoKα","","0.0511","0.0343","","","0.0708","0.0769","","","","","","1.025","","","","has coordinates,has disorder","176070","2020-10-21","18:00:00",""
"7036649","32.9377","0.0006","23.6356","0.0004","19.1985","0.0004","90","","90","","90","","14946.1","0.5","100","","100","","","","","","","","","7","P b c n","-P 2n 2ab","60","","","","- C62 H94 Cl8 Ga2 N6 O2 P4 -","- C62 H94 Cl8.0032 Ga2.0008 N6 O2 P4 -","- C496 H752 Cl64.0256 Ga16.0064 N48 O16 P32 -","8","1","","Beil, Andreas; Gilliard, Robert J.; Grützmacher, Hansjörg","From the parent phosphinidene-carbene adduct NHC[double bond, length as m-dash]PH to cationic P4-rings and P2-cycloaddition products.","Dalton transactions (Cambridge, England : 2003)","2016","45","5","2044","2052","10.1039/c5dt03014e","","x-ray","0.71073","MoKα","","0.0755","0.0427","","","0.0893","0.1023","","","","","","1.017","","","","has coordinates,has disorder","176070","2020-10-21","18:00:00",""
"7036650","10.5864","0.0005","16.4856","0.0008","24.254","0.0011","90","","102.366","0.002","90","","4134.7","0.3","101.1","","101.1","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C39 H51 Cl4 Ga N2 P2 -","- C39 H51 Cl4 Ga N2 P2 -","- C156 H204 Cl16 Ga4 N8 P8 -","4","1","","Beil, Andreas; Gilliard, Robert J.; Grützmacher, Hansjörg","From the parent phosphinidene-carbene adduct NHC[double bond, length as m-dash]PH to cationic P4-rings and P2-cycloaddition products.","Dalton transactions (Cambridge, England : 2003)","2016","45","5","2044","2052","10.1039/c5dt03014e","","x-ray","0.71073","MoKα","","0.0592","0.0432","","","0.0859","0.0917","","","","","","1.081","","","","has coordinates","176070","2020-10-21","18:00:00",""
"7036651","10.7703","0.0002","15.0762","0.0003","27.5758","0.0005","90","","101.072","0.001","90","","4394.28","0.14","100","","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C39 H60 Cl4 Ga N3 P2 -","- C39 H60 Cl4 Ga N3 P2 -","- C156 H240 Cl16 Ga4 N12 P8 -","4","1","","Beil, Andreas; Gilliard, Robert J.; Grützmacher, Hansjörg","From the parent phosphinidene-carbene adduct NHC[double bond, length as m-dash]PH to cationic P4-rings and P2-cycloaddition products.","Dalton transactions (Cambridge, England : 2003)","2016","45","5","2044","2052","10.1039/c5dt03014e","","x-ray","0.71073","MoKα","","0.0487","0.0363","","","0.0908","0.0981","","","","","","1.037","","","","has coordinates,has disorder","176070","2020-10-21","18:00:00",""
"7036652","20.036","0.003","18.337","0.002","21.409","0.003","90","","90","","90","","7865.7","1.8","100","","100","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C35 H52 Cl4 Ga N3 P2 -","- C35 H52 Cl4 Ga N3 P2 -","- C280 H416 Cl32 Ga8 N24 P16 -","8","1","","Beil, Andreas; Gilliard, Robert J.; Grützmacher, Hansjörg","From the parent phosphinidene-carbene adduct NHC[double bond, length as m-dash]PH to cationic P4-rings and P2-cycloaddition products.","Dalton transactions (Cambridge, England : 2003)","2016","45","5","2044","2052","10.1039/c5dt03014e","","x-ray","0.71073","MoKα","","0.0502","0.041","","","0.1428","0.1493","","","","","","1.178","","","","has coordinates,has disorder","176070","2020-10-21","18:00:00",""
"7036653","10.4962","0.0007","16.4244","0.0011","23.8724","0.0015","90","","101.716","0.0011","90","","4029.7","0.5","100","","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C38 H47 Cl4 Ga N2 P2.07 -","- C38 H47 Cl4 Ga N2 P2.0665 -","- C152 H188 Cl16 Ga4 N8 P8.266 -","4","1","","Beil, Andreas; Gilliard, Robert J.; Grützmacher, Hansjörg","From the parent phosphinidene-carbene adduct NHC[double bond, length as m-dash]PH to cationic P4-rings and P2-cycloaddition products.","Dalton transactions (Cambridge, England : 2003)","2016","45","5","2044","2052","10.1039/c5dt03014e","","x-ray","0.71073","MoKα","","0.0472","0.0371","","","0.0915","0.097","","","","","","1.046","","","","has coordinates,has disorder","176070","2020-10-21","18:00:00",""
"7036654","19.7393","0.0003","13.1426","0.0002","16.1564","0.0002","90","","115.07","0.001","90","","3796.52","0.1","100","","100","","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C34 H48 Cl4 Ga N3 P2 -","- C34 H48 Cl4 Ga N3 P2 -","- C136 H192 Cl16 Ga4 N12 P8 -","4","1","","Beil, Andreas; Gilliard, Robert J.; Grützmacher, Hansjörg","From the parent phosphinidene-carbene adduct NHC[double bond, length as m-dash]PH to cationic P4-rings and P2-cycloaddition products.","Dalton transactions (Cambridge, England : 2003)","2016","45","5","2044","2052","10.1039/c5dt03014e","","x-ray","0.71073","MoKα","","0.0464","0.0371","","","0.0731","0.0764","","","","","","0.953","","","","has coordinates,has disorder","176070","2020-10-21","18:00:00",""
"7036670","10.53693","0.0001","13.77283","0.00016","36.361","0.0004","90","","95.1711","0.001","90","","5255.35","0.1","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C30 H10 B F15 O2 -","- C30 H10 B F15 O2 -","- C240 H80 B8 F120 O16 -","8","2","","Wilkins, Lewis C.; Hamilton, Hugh B.; Kariuki, Benson M.; Hashmi, A Stephen K; Hansmann, Max M.; Melen, Rebecca L.","Lewis acid-base 1,2-addition reactions: synthesis of pyrylium borates from en-ynoate precursors.","Dalton transactions (Cambridge, England : 2003)","2016","45","14","5929","5932","10.1039/c5dt03340c","","","1.54184","CuKα","","0.0387","0.0343","","","0.0881","0.0915","","","","","","1.041","","","","has coordinates","181733","2020-10-21","18:00:00",""
"7036671","10.9906","0.0003","16.036","0.0004","14.4145","0.0003","90","","91.562","0.002","90","","2539.54","0.11","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C28 H14 B F15 O2 -","- C28 H14 B F15 O2 -","- C112 H56 B4 F60 O8 -","4","1","","Wilkins, Lewis C.; Hamilton, Hugh B.; Kariuki, Benson M.; Hashmi, A Stephen K; Hansmann, Max M.; Melen, Rebecca L.","Lewis acid-base 1,2-addition reactions: synthesis of pyrylium borates from en-ynoate precursors.","Dalton transactions (Cambridge, England : 2003)","2016","45","14","5929","5932","10.1039/c5dt03340c","","","1.54184","CuKα","","0.0531","0.0389","","","0.1155","0.1235","","","","","","1.14","","","","has coordinates","181733","2020-10-21","18:00:00",""
"7036672","22.251","0.002","17.9388","0.0013","23.884","0.003","90","","116.157","0.004","90","","8557.1","1.5","173","2","173","2","","","","","","","","7","P 1 21/a 1","-P 2yab","14","[Cu(BPEP)](BArF4)","Bis(phosphaethenyl)pyridine copper(I)","","- C87 H83 B Cu F24 N P2 -","- C87 H83 B Cu F24 N P2 -","- C348 H332 B4 Cu4 F96 N4 P8 -","4","1","","Nakajima, Yumiko; Tsuchimoto, Takahiro; Chang, Yung-Hung; Takeuchi, Katsuhiko; Ozawa, Fumiyuki","Reactions of [Cu(X)(BPEP-Ph)] (X = PF6, SbF6) with silyl compounds. Cooperative bond activation involving non-coordinating anions.","Dalton transactions (Cambridge, England : 2003)","2016","45","5","2079","2084","10.1039/c5dt03166d","","","0.7107","MoKα","","0.1419","0.0985","","","0.2337","0.2592","","","","","","1.259","","","","has coordinates","176092","2020-10-21","18:00:00",""
"7036673","16.0869","0.0004","18.668","0.0005","18.6526","0.0005","90","","95.9373","0.0012","90","","5571.5","0.3","173","2","173","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","3b","","- C56 H71 Cu F5 N2 P2 Sb -","- C56 H71 Cu F5 N2 P2 Sb -","- C224 H284 Cu4 F20 N8 P8 Sb4 -","4","1","","Nakajima, Yumiko; Tsuchimoto, Takahiro; Chang, Yung-Hung; Takeuchi, Katsuhiko; Ozawa, Fumiyuki","Reactions of [Cu(X)(BPEP-Ph)] (X = PF6, SbF6) with silyl compounds. Cooperative bond activation involving non-coordinating anions.","Dalton transactions (Cambridge, England : 2003)","2016","45","5","2079","2084","10.1039/c5dt03166d","","","0.75","","","0.0778","0.0717","","","0.1763","0.1808","","","","","","1.178","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7036716","16.954","0.01","9.058","0.005","35.25","0.02","90","","94.174","0.008","90","","5399","5","100","","100","","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C28 H36 Cl Ge N2 P -","- C28 H36 Cl Ge N2 P -","- C224 H288 Cl8 Ge8 N16 P8 -","8","2","","Prashanth, Billa; Singh, Sanjay","Concise access to iminophosphonamide stabilized heteroleptic germylenes: chemical reactivity and structural investigation.","Dalton transactions (Cambridge, England : 2003)","2016","45","14","6079","6087","10.1039/c5dt02287h","","","0.71073","MoKα","","0.042","0.0346","","","0.078","0.0811","","","","","","1.031","","","","has coordinates","181726","2020-10-21","18:00:00",""
"7036717","9.6544","0.0015","12.518","0.002","16.755","0.003","68.117","0.01","83.597","0.014","71.997","0.01","1787","0.5","100","","100","","","","","","","","","8","P -1","-P 1","2","","","","- C32 H36 Cl Fe Ge N2 O4 P -","- C32 H36 Cl Fe Ge N2 O4 P -","- C64 H72 Cl2 Fe2 Ge2 N4 O8 P2 -","2","1","","Prashanth, Billa; Singh, Sanjay","Concise access to iminophosphonamide stabilized heteroleptic germylenes: chemical reactivity and structural investigation.","Dalton transactions (Cambridge, England : 2003)","2016","45","14","6079","6087","10.1039/c5dt02287h","","","0.71073","MoKα","","0.1121","0.0574","","","0.1204","0.1381","","","","","","0.93","","","","has coordinates","181726","2020-10-21","18:00:00",""
"7036718","9.112","0.003","21.799","0.005","15.386","0.004","90","","95.351","0.019","90","","3042.8","1.5","100","","100","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C32 H45 Ge N2 O P -","- C32 H45 Ge N2 O P -","- C128 H180 Ge4 N8 O4 P4 -","4","1","","Prashanth, Billa; Singh, Sanjay","Concise access to iminophosphonamide stabilized heteroleptic germylenes: chemical reactivity and structural investigation.","Dalton transactions (Cambridge, England : 2003)","2016","45","14","6079","6087","10.1039/c5dt02287h","","","0.71073","MoKα","","0.1063","0.0844","","","0.2048","0.2302","","","","","","1.015","","","","has coordinates","181726","2020-10-21","18:00:00",""
"7036719","10.161","0.006","10.434","0.006","14.996","0.008","103.237","0.009","95.103","0.012","113.16","0.02","1394.2","1.4","100","","100","","","","","","","","","7","P -1","-P 1","2","","","","- C28 H36 Cl Ge N2 P S -","- C28 H36 Cl Ge N2 P S -","- C56 H72 Cl2 Ge2 N4 P2 S2 -","2","1","","Prashanth, Billa; Singh, Sanjay","Concise access to iminophosphonamide stabilized heteroleptic germylenes: chemical reactivity and structural investigation.","Dalton transactions (Cambridge, England : 2003)","2016","45","14","6079","6087","10.1039/c5dt02287h","","","0.71073","MoKα","","0.1258","0.0775","","","0.1569","0.1924","","","","","","1.044","","","","has coordinates","181726","2020-10-21","18:00:00",""
"7036720","23.504","0.004","8.9246","0.0013","20.47","0.004","90","","109.724","0.008","90","","4041.9","1.2","100","","100","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C39 H53 Ge N2 O P Se -","- C39 H53 Ge N2 O P Se -","- C156 H212 Ge4 N8 O4 P4 Se4 -","4","1","","Prashanth, Billa; Singh, Sanjay","Concise access to iminophosphonamide stabilized heteroleptic germylenes: chemical reactivity and structural investigation.","Dalton transactions (Cambridge, England : 2003)","2016","45","14","6079","6087","10.1039/c5dt02287h","","","0.71073","MoKα","","0.0608","0.0553","","","0.1468","0.1507","","","","","","1.036","","","","has coordinates","181726","2020-10-21","18:00:00",""
"7036752","18.1914","0.0016","10.1898","0.0005","18.108","0.0012","90","","117.319","0.009","90","","2982.2","0.4","293","2","293","2","","","","","","","No.","5","P 1 21/c 1","-P 2ybc","14","1,3-bis(2,6-diisopropylphenyl)-2-(4-methoxypphenyl)-3-aza-1λ3-phosphapropene","(aZ)-N-[2,6-bis(1-methylethyl)phenyl]-a-[[2,6-bis(1-methylethyl)phenyl] phosphinidene]-4-methoxy-benzenemethanamine chromium pentacarbonyl complex","","- C32 H42 N O P -","- C32 H42 N O P -","- C128 H168 N4 O4 P4 -","4","1","","Masuda, Jason D.; Boeré, René T","Metal carbonyl complexes of phosphaamidines. Coordinative integrity detected in C-amino(λ(3),σ(2))-phosphaalkene isomers coordinated through n(P) HOMO-1 donor orbitals.","Dalton transactions (Cambridge, England : 2003)","2016","45","5","2102","2115","10.1039/c5dt03393d","","","0.71073","MoKα","","0.1097","0.0471","","","0.1005","0.119","","","","","","0.843","","","","has coordinates","176067","2020-10-21","18:00:00",""
"7036753","10.4722","0.0008","12.1314","0.0011","14.765","0.0013","84.6","0.011","79.559","0.01","71.687","0.01","1749.9","0.3","293","2","293","2","","","","","","","No.","6","P -1","-P 1","2","1,3-bis(2,6-diisopropylphenyl)-2-(4-methylphenyl)-3-aza-1λ3-phosphapropene chromium pentacarbonyl complex","(aZ)-N-[2,6-bis(1-methylethyl)phenyl]-a-[[2,6-bis(1-methylethyl)phenyl] phosphinidene]-4-methyl-benzenemethanamine chromium pentacarbonyl complex","","- C37 H42 Cr N O5 P -","- C37 H42 Cr N O5 P -","- C74 H84 Cr2 N2 O10 P2 -","2","1","","Masuda, Jason D.; Boeré, René T","Metal carbonyl complexes of phosphaamidines. Coordinative integrity detected in C-amino(λ(3),σ(2))-phosphaalkene isomers coordinated through n(P) HOMO-1 donor orbitals.","Dalton transactions (Cambridge, England : 2003)","2016","45","5","2102","2115","10.1039/c5dt03393d","","","0.71073","MoKα","","0.0635","0.0397","","","0.09","0.0978","","","","","","0.879","","","","has coordinates","176067","2020-10-21","18:00:00",""
"7036754","10.5913","0.0008","12.2632","0.001","14.8639","0.0013","84.783","0.01","79.008","0.01","71.596","0.009","1797.2","0.3","293","2","293","2","","","","","","","No.","6","P -1","-P 1","2","1,3-bis(2,6-diisopropylphenyl)-2-(4-methylphenyl)-3-aza-1λ3-phosphapropene molybdenum pentacarbonyl complex","(aZ)-N-[2,6-bis(1-methylethyl)phenyl]-a-[[2,6-bis(1-methylethyl)phenyl] phosphinidene]-4-methyl-benzenemethanamine molybdenum pentacarbonyl complex","","- C37 H42 Mo N O5 P -","- C37 H42 Mo N O5 P -","- C74 H84 Mo2 N2 O10 P2 -","2","1","","Masuda, Jason D.; Boeré, René T","Metal carbonyl complexes of phosphaamidines. Coordinative integrity detected in C-amino(λ(3),σ(2))-phosphaalkene isomers coordinated through n(P) HOMO-1 donor orbitals.","Dalton transactions (Cambridge, England : 2003)","2016","45","5","2102","2115","10.1039/c5dt03393d","","","0.71073","MoKα","","0.0402","0.0283","","","0.0649","0.0675","","","","","","0.912","","","","has coordinates","176067","2020-10-21","18:00:00",""
"7036755","10.7566","0.0008","13.4617","0.0011","14.2564","0.0012","104.733","0.01","108.862","0.009","92.7","0.009","1870.3","0.3","293","2","293","2","","","","","","","No","6","P -1","-P 1","2","1,3-bis(2,6-diisopropylphenyl)-2-(4-methoxyphenyl)-3-aza-1λ3-phosphapropene molybdenum pentacarbonyl complex","(aZ)-N-[2,6-bis(1-methylethyl)phenyl]-a-[[2,6-bis(1-methylethyl)phenyl] phosphinidene]-4-methoxy-benzenemethanamine chromium pentacarbonyl complex","","- C37 H42 Mo N O6 P -","- C37 H42 Mo N O6 P -","- C74 H84 Mo2 N2 O12 P2 -","2","1","","Masuda, Jason D.; Boeré, René T","Metal carbonyl complexes of phosphaamidines. Coordinative integrity detected in C-amino(λ(3),σ(2))-phosphaalkene isomers coordinated through n(P) HOMO-1 donor orbitals.","Dalton transactions (Cambridge, England : 2003)","2016","45","5","2102","2115","10.1039/c5dt03393d","","","0.71073","MoKα","","0.0581","0.0376","","","0.0849","0.0911","","","","","","0.93","","","","has coordinates,has disorder","176067","2020-10-21","18:00:00",""
"7036756","10.5413","0.0009","12.213","0.0011","14.8135","0.0014","84.662","0.011","79.167","0.011","71.661","0.01","1776.8","0.3","293","2","293","2","","","","","","","No","6","P -1","-P 1","2","1,3-bis(2,6-diisopropylphenyl)-2-(4-methylphenyl)-3-aza-1λ3-phosphapropene tungsten pentacarbonyl complex","(aZ)-N-[2,6-bis(1-methylethyl)phenyl]-a-[[2,6-bis(1-methylethyl)phenyl] phosphinidene]-4-methyl-benzenemethanamine tungsten pentacarbonyl complex","","- C37 H42 N O5 P W -","- C37 H42 N O5 P W -","- C74 H84 N2 O10 P2 W2 -","2","1","","Masuda, Jason D.; Boeré, René T","Metal carbonyl complexes of phosphaamidines. Coordinative integrity detected in C-amino(λ(3),σ(2))-phosphaalkene isomers coordinated through n(P) HOMO-1 donor orbitals.","Dalton transactions (Cambridge, England : 2003)","2016","45","5","2102","2115","10.1039/c5dt03393d","","","0.71073","MoKα","","0.0568","0.0532","","","0.1279","0.1302","","","","","","1.025","","","","has coordinates","176067","2020-10-21","18:00:00",""
"7036776","10.4029","0.0007","13.7294","0.001","16.3434","0.0012","94.929","0.001","93.683","0.001","95.884","0.001","2307.1","0.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C88 H118 N2 Nb2 O6 P6 -","- C94 H124 N2 Nb2 O6 P6 -","- C94 H124 N2 Nb2 O6 P6 -","1","0.5","","Velian, Alexandra; Cossairt, Brandi M.; Cummins, Christopher C.","Assembly and stabilization of {E(cyclo-P3)2} (E = Sn, Pb) as a bridging ligand spanning two triaryloxyniobium units.","Dalton transactions (Cambridge, England : 2003)","2016","45","5","1891","1895","10.1039/c5dt03383g","","","0.71073","MoKα","","0.0837","0.0461","","","0.0829","0.0982","","","","","","1.014","","","","has coordinates,has disorder","176068","2020-10-21","18:00:00",""
"7036777","18.4033","0.0017","23.17","0.002","10.0258","0.0009","90","","90","","90","","4275","0.7","100","2","100","2","","","","","","","","5","P n a 21","P 2c -2n","33","","ONbODipp3Py","","- C45 H64 N Nb O5 -","- C45 H64 N Nb O5 -","- C180 H256 N4 Nb4 O20 -","4","1","","Velian, Alexandra; Cossairt, Brandi M.; Cummins, Christopher C.","Assembly and stabilization of {E(cyclo-P3)2} (E = Sn, Pb) as a bridging ligand spanning two triaryloxyniobium units.","Dalton transactions (Cambridge, England : 2003)","2016","45","5","1891","1895","10.1039/c5dt03383g","","","0.71073","MoKα","","0.0614","0.0395","","","0.0801","0.0901","","","","","","1.014","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7036778","14.0102","0.001","16.5289","0.0012","18.0957","0.001","90","","92.662","0.004","90","","4186","0.5","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C43 H53 N2 Nb O2 P3 -","- C43 H53 N2 Nb O2 P3 -","- C172 H212 N8 Nb4 O8 P12 -","4","1","","Velian, Alexandra; Cossairt, Brandi M.; Cummins, Christopher C.","Assembly and stabilization of {E(cyclo-P3)2} (E = Sn, Pb) as a bridging ligand spanning two triaryloxyniobium units.","Dalton transactions (Cambridge, England : 2003)","2016","45","5","1891","1895","10.1039/c5dt03383g","","","1.54178","CuKα","","0.0554","0.0388","","","0.0923","0.1013","","","","","","1.022","","","","has coordinates,has disorder","176068","2020-10-21","18:00:00",""
"7036779","19.234","0.002","20.735","0.002","20.601","0.002","90","","92.989","0.002","90","","8204.9","1.4","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C78.24 H108.49 Nb2 O6 P6 Sn -","- C78.243 H108.486 Nb2 O6 P6 Sn -","- C312.972 H433.944 Nb8 O24 P24 Sn4 -","4","1","","Velian, Alexandra; Cossairt, Brandi M.; Cummins, Christopher C.","Assembly and stabilization of {E(cyclo-P3)2} (E = Sn, Pb) as a bridging ligand spanning two triaryloxyniobium units.","Dalton transactions (Cambridge, England : 2003)","2016","45","5","1891","1895","10.1039/c5dt03383g","","","0.71073","MoKα","","0.0656","0.0364","","","0.0692","0.0796","","","","","","1.028","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7036780","27.951","0.003","25.525","0.003","24.007","0.003","90","","90","","90","","17128","3","100","2","100","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C80 H120 Nb2 O8 P6 Sn -","- C80 H120 Nb2 O8 P6 Sn -","- C640 H960 Nb16 O64 P48 Sn8 -","8","2","","Velian, Alexandra; Cossairt, Brandi M.; Cummins, Christopher C.","Assembly and stabilization of {E(cyclo-P3)2} (E = Sn, Pb) as a bridging ligand spanning two triaryloxyniobium units.","Dalton transactions (Cambridge, England : 2003)","2016","45","5","1891","1895","10.1039/c5dt03383g","","","0.71073","MoKα","","0.0765","0.0469","","","0.0842","0.0975","","","","","","1.023","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7036781","23.9973","0.0014","12.5011","0.0007","33.949","0.002","90","","102.473","0.001","90","","9944.1","1","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C48.8 H69.19 Nb O4 P3 Pb0.5 -","- C48.8 H69.2 Nb O4 P3 Pb0.5 -","- C390.4 H553.6 Nb8 O32 P24 Pb4 -","8","1","","Velian, Alexandra; Cossairt, Brandi M.; Cummins, Christopher C.","Assembly and stabilization of {E(cyclo-P3)2} (E = Sn, Pb) as a bridging ligand spanning two triaryloxyniobium units.","Dalton transactions (Cambridge, England : 2003)","2016","45","5","1891","1895","10.1039/c5dt03383g","","","0.71073","MoKα","","0.0321","0.0271","","","0.0569","0.0585","","","","","","1.111","","","","has coordinates,has disorder","176429","2020-10-21","18:00:00",""
"7036802","11.7981","0.001","26.54","0.002","12.7246","0.0011","90","","96.6405","0.0012","90","","3957.6","0.6","103","2","103","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C48 H39 Cl O2 P2 Pt -","- C48 H39 Cl O2 P2 Pt -","- C192 H156 Cl4 O8 P8 Pt4 -","4","2","","Jia, Yu-Xiang; Yang, Xiang-Yuan; Tay, Wee Shan; Li, Yongxin; Pullarkat, Sumod A.; Xu, Kai; Hirao, Hajime; Leung, Pak-Hing","Computational and carbon-13 NMR studies of Pt-C bonds in P-C-P pincer complexes.","Dalton transactions (Cambridge, England : 2003)","2016","45","5","2095","2101","10.1039/c5dt02049b","","","0.71073","MoKα","","0.1014","0.0701","","","0.1416","0.154","","","","","","1.048","","","","has coordinates","176087","2020-10-21","18:00:00",""
"7036803","9.4921","0.0004","9.4921","0.0004","43.0304","0.0017","90","","90","","90","","3877","0.3","103","2","103","2","","","","","","","","6","P 41 21 2","P 4abw 2nw","92","","","","- C49 H39 N O2 P2 Pt -","- C49 H39 N O2 P2 Pt -","- C196 H156 N4 O8 P8 Pt4 -","4","0.5","","Jia, Yu-Xiang; Yang, Xiang-Yuan; Tay, Wee Shan; Li, Yongxin; Pullarkat, Sumod A.; Xu, Kai; Hirao, Hajime; Leung, Pak-Hing","Computational and carbon-13 NMR studies of Pt-C bonds in P-C-P pincer complexes.","Dalton transactions (Cambridge, England : 2003)","2016","45","5","2095","2101","10.1039/c5dt02049b","","","0.71073","MoKα","","0.0336","0.0294","","","0.0555","0.0564","","","","","","1.18","","","","has coordinates","176087","2020-10-21","18:00:00",""
"7036819","9.9478","0.0003","12.3725","0.0004","28.7138","0.0009","87.7587","0.0016","82.8945","0.0017","71.3079","0.0016","3321.95","0.18","120","","120","","","","","","","","","6","P -1","-P 1","2","","","","- C38 H32 Cl N2 Ni P3 -","- C38 H32 Cl N2 Ni P3 -","- C152 H128 Cl4 N8 Ni4 P12 -","4","2","","Evers-McGregor, Deirdra A; Bezpalko, Mark W.; Foxman, Bruce M.; Thomas, Christine M.","N-heterocyclic phosphenium and phosphido nickel complexes supported by a pincer ligand framework.","Dalton transactions (Cambridge, England : 2003)","2016","45","5","1918","1929","10.1039/c5dt03549j","","","0.71073","MoKα","","0.053","0.0372","","0.0993","0.0905","0.0993","","","","","","0.9885","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7036820","31.6465","0.0007","31.6465","0.0007","30.383","0.0008","90","","90","","90","","30428.6","1.2","120","","120","","","","","","","","","7","I 41/a :2","-I 4ad","88","","","","- C86 H80 Cl2 N4 Ni3 O P6 -","- C86 H80 Cl2 N4 Ni3 O P6 -","- C1376 H1280 Cl32 N64 Ni48 O16 P96 -","16","1","","Evers-McGregor, Deirdra A; Bezpalko, Mark W.; Foxman, Bruce M.; Thomas, Christine M.","N-heterocyclic phosphenium and phosphido nickel complexes supported by a pincer ligand framework.","Dalton transactions (Cambridge, England : 2003)","2016","45","5","1918","1929","10.1039/c5dt03549j","","","0.71073","MoKα","","0.0657","0.0409","","0.0959","0.0873","0.0959","","","","","","1.0109","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7036821","16.6009","0.0008","16.6009","0.0008","25.9072","0.0016","90","","90","","90","","7139.8","0.7","120","","120","","","","","","","","","5","I -4 c 2","I -4 -2c","120","","","","- C76 H64 N4 Ni2 P6 -","- C76 H64 N4 Ni2 P6 -","- C304 H256 N16 Ni8 P24 -","4","0.25","","Evers-McGregor, Deirdra A; Bezpalko, Mark W.; Foxman, Bruce M.; Thomas, Christine M.","N-heterocyclic phosphenium and phosphido nickel complexes supported by a pincer ligand framework.","Dalton transactions (Cambridge, England : 2003)","2016","45","5","1918","1929","10.1039/c5dt03549j","","","0.71073","MoKα","","0.0637","0.0514","","0.1284","0.122","0.1284","","","","","","0.9777","","","","has coordinates","210357","2020-10-21","18:00:00",""
"7036822","26.0844","0.0007","13.0789","0.0004","23.9074","0.0007","90","","121.573","0.0011","90","","6948.8","0.4","120","","120","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C38 H32 F6 N2 Ni P4 -","- C37.9976 H31.998 F6 N2 Ni P3.9996 -","- C303.981 H255.984 F48 N16 Ni8 P31.9968 -","8","1","","Evers-McGregor, Deirdra A; Bezpalko, Mark W.; Foxman, Bruce M.; Thomas, Christine M.","N-heterocyclic phosphenium and phosphido nickel complexes supported by a pincer ligand framework.","Dalton transactions (Cambridge, England : 2003)","2016","45","5","1918","1929","10.1039/c5dt03549j","","","0.71073","MoKα","","0.052","0.042","","0.1228","0.1089","0.1228","","","","","","0.9862","","","","has coordinates,has disorder","176429","2020-10-21","18:00:00",""
"7036823","9.2335","0.0006","9.2335","0.0006","19.2916","0.001","90","","90","","120","","1424.4","0.15","150","","150","","","","","","","","not measured","5","R -3 c :H","-R 3 2""c","167","","guanidinium cadmium formate","","- C4 H9 Cd N3 O6 -","- C4 H9 Cd N3 O6 -","- C24 H54 Cd6 N18 O36 -","6","0.166667","","Collings, Ines E.; Hill, Joshua A.; Cairns, Andrew B.; Cooper, Richard I.; Thompson, Amber L.; Parker, Julia E.; Tang, Chiu C.; Goodwin, Andrew L.","Compositional dependence of anomalous thermal expansion in perovskite-like ABX3 formates.","Dalton transactions (Cambridge, England : 2003)","2016","45","10","4169","4178","10.1039/c5dt03263f","","","0.71073","MoKα","","0.0375","0.0298","","0.0836","0.0726","0.0836","","","","","","0.8987","","","","has coordinates","177799","2020-10-21","18:00:00",""
"7036824","9.2172","0.0004","9.2172","0.0004","19.4982","0.0008","90","","90","","120","","1434.57","0.11","250","","250","","","","","","","","not measured","5","R -3 c :H","-R 3 2""c","167","","guanidinium cadmium formate","","- C4 H9 Cd N3 O6 -","- C4 H9 Cd N3 O6 -","- C24 H54 Cd6 N18 O36 -","6","0.166667","","Collings, Ines E.; Hill, Joshua A.; Cairns, Andrew B.; Cooper, Richard I.; Thompson, Amber L.; Parker, Julia E.; Tang, Chiu C.; Goodwin, Andrew L.","Compositional dependence of anomalous thermal expansion in perovskite-like ABX3 formates.","Dalton transactions (Cambridge, England : 2003)","2016","45","10","4169","4178","10.1039/c5dt03263f","","","0.71073","MoKα","","0.0242","0.0191","","0.0458","0.0415","0.0458","","","","","","1.0118","","","","has coordinates","177799","2020-10-21","18:00:00",""
"7036825","9.2146","0.0003","9.2146","0.0003","19.6072","0.0008","90","","90","","120","","1441.78","0.09","300","","300","","","","","","","","not measured","5","R -3 c :H","-R 3 2""c","167","","guanidinium cadmium formate","","- C4 H9 Cd N3 O6 -","- C4 H9 Cd N3 O6 -","- C24 H54 Cd6 N18 O36 -","6","0.166667","","Collings, Ines E.; Hill, Joshua A.; Cairns, Andrew B.; Cooper, Richard I.; Thompson, Amber L.; Parker, Julia E.; Tang, Chiu C.; Goodwin, Andrew L.","Compositional dependence of anomalous thermal expansion in perovskite-like ABX3 formates.","Dalton transactions (Cambridge, England : 2003)","2016","45","10","4169","4178","10.1039/c5dt03263f","","","0.71073","MoKα","","0.0302","0.019","","0.048","0.0397","0.048","","","","","","0.8076","","","","has coordinates","177799","2020-10-21","18:00:00",""
"7036826","9.1803","0.0004","9.1803","0.0004","19.8649","0.0009","90","","90","","120","","1449.88","0.11","450","","450","","","","","","","","not measured","5","R -3 c :H","-R 3 2""c","167","","guanidinium cadmium formate","","- C4 H9 Cd N3 O6 -","- C4 H9 Cd N3 O6 -","- C24 H54 Cd6 N18 O36 -","6","0.166667","","Collings, Ines E.; Hill, Joshua A.; Cairns, Andrew B.; Cooper, Richard I.; Thompson, Amber L.; Parker, Julia E.; Tang, Chiu C.; Goodwin, Andrew L.","Compositional dependence of anomalous thermal expansion in perovskite-like ABX3 formates.","Dalton transactions (Cambridge, England : 2003)","2016","45","10","4169","4178","10.1039/c5dt03263f","","","0.71073","MoKα","","0.0406","0.0209","","0.0476","0.0354","0.0476","","","","","","0.8139","","","","has coordinates","177799","2020-10-21","18:00:00",""
"7036908","13.704","0.004","19.046","0.005","13.618","0.003","90","","107.145","0.004","90","","3396.4","1.5","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C31 H25 B2 F18 N O2 -","- C31 H25 B2 F18 N O2 -","- C124 H100 B8 F72 N4 O8 -","4","1","","Zheng, Junhao; Lin, Yue-Jian; Wang, Huadong","Synthesis of 2-(lutidinyl)organoboranes and their reactivities against dihydrogen and pinacol borane.","Dalton transactions (Cambridge, England : 2003)","2016","45","14","6088","6093","10.1039/c5dt03815d","","","0.71073","MoKα","","0.0917","0.0467","","","0.1206","0.1472","","","","","","1.004","","","","has coordinates,has disorder","181739","2020-10-21","18:00:00",""
"7036909","25.046","0.003","11.9756","0.0016","17.58","0.002","90","","100.011","0.002","90","","5192.7","1.1","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C25 H12 B F18 N -","- C25 H12 B F18 N -","- C200 H96 B8 F144 N8 -","8","1","","Zheng, Junhao; Lin, Yue-Jian; Wang, Huadong","Synthesis of 2-(lutidinyl)organoboranes and their reactivities against dihydrogen and pinacol borane.","Dalton transactions (Cambridge, England : 2003)","2016","45","14","6088","6093","10.1039/c5dt03815d","","","0.71073","MoKα","","0.0722","0.0488","","","0.1448","0.1671","","","","","","1.067","","","","has coordinates,has disorder","181739","2020-10-21","18:00:00",""
"7036910","16.439","0.003","9.261","0.0016","16.952","0.003","90","","98.127","0.003","90","","2554.9","0.8","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C25 H12 B F18 N -","- C25 H12 B F18 N -","- C100 H48 B4 F72 N4 -","4","1","","Zheng, Junhao; Lin, Yue-Jian; Wang, Huadong","Synthesis of 2-(lutidinyl)organoboranes and their reactivities against dihydrogen and pinacol borane.","Dalton transactions (Cambridge, England : 2003)","2016","45","14","6088","6093","10.1039/c5dt03815d","","","0.71073","MoKα","","0.0523","0.0421","","","0.1254","0.138","","","","","","1.072","","","","has coordinates,has disorder","181739","2020-10-21","18:00:00",""
"7036911","8.7459","0.0012","15.848","0.002","19.209","0.003","90","","91.085","0.002","90","","2662","0.6","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C25 H14 B F18 N -","- C25 H14 B F18 N -","- C100 H56 B4 F72 N4 -","4","1","","Zheng, Junhao; Lin, Yue-Jian; Wang, Huadong","Synthesis of 2-(lutidinyl)organoboranes and their reactivities against dihydrogen and pinacol borane.","Dalton transactions (Cambridge, England : 2003)","2016","45","14","6088","6093","10.1039/c5dt03815d","","","0.71073","MoKα","","0.0588","0.0418","","","0.1139","0.126","","","","","","1.047","","","","has coordinates,has disorder","181739","2020-10-21","18:00:00",""
"7036912","8.8508","0.0016","11.638","0.002","17.057","0.003","92.54","0.003","90.638","0.003","106.369","0.003","1683.6","0.5","203","2","203","2","","","","","","","","6","P -1","-P 1","2","","","","- C31 H23 B2 F18 N O2 -","- C31 H23 B2 F18 N O2 -","- C62 H46 B4 F36 N2 O4 -","2","1","","Zheng, Junhao; Lin, Yue-Jian; Wang, Huadong","Synthesis of 2-(lutidinyl)organoboranes and their reactivities against dihydrogen and pinacol borane.","Dalton transactions (Cambridge, England : 2003)","2016","45","14","6088","6093","10.1039/c5dt03815d","","","0.71073","MoKα","","0.0721","0.0536","","","0.1608","0.1828","","","","","","1.039","","","","has coordinates,has disorder","181739","2020-10-21","18:00:00",""
"7036913","22.306","0.006","11.447","0.003","22.092","0.006","90","","97.469","0.005","90","","5593","3","203","2","203","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C25 H22 B F18 N -","- C25 H22 B F18 N -","- C200 H176 B8 F144 N8 -","8","1","","Zheng, Junhao; Lin, Yue-Jian; Wang, Huadong","Synthesis of 2-(lutidinyl)organoboranes and their reactivities against dihydrogen and pinacol borane.","Dalton transactions (Cambridge, England : 2003)","2016","45","14","6088","6093","10.1039/c5dt03815d","","","0.71073","MoKα","","0.1464","0.078","","","0.242","0.3054","","","","","","1.034","","","","has coordinates,has disorder","181739","2020-10-21","18:00:00",""
"7036914","13.187","0.002","12.091","0.002","17.222","0.003","90","","110.411","0.003","90","","2573.5","0.7","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C25 H14 B F18 N -","- C25 H14 B F18 N -","- C100 H56 B4 F72 N4 -","4","1","","Zheng, Junhao; Lin, Yue-Jian; Wang, Huadong","Synthesis of 2-(lutidinyl)organoboranes and their reactivities against dihydrogen and pinacol borane.","Dalton transactions (Cambridge, England : 2003)","2016","45","14","6088","6093","10.1039/c5dt03815d","","","0.71073","MoKα","","0.0693","0.0493","","","0.1481","0.1668","","","","","","1.036","","","","has coordinates,has disorder","181739","2020-10-21","18:00:00",""
"7036927","8.3211","0.0008","19.9816","0.0019","9.8002","0.001","90","","110.351","0.0014","90","","1527.8","0.3","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C30 H54 B2 P2 Rh2 -","- C30 H54 B2 P2 Rh2 -","- C60 H108 B4 P4 Rh4 -","2","0.5","","Perez, Viridiana; Audet, Pierre; Bi, Wenhua; Fontaine, Frédéric-Georges","Phosphidoboratabenzene-rhodium(i) complexes as precatalysts for the hydrogenation of alkenes at room temperature and atmospheric pressure.","Dalton transactions (Cambridge, England : 2003)","2016","45","5","2130","2137","10.1039/c5dt03109e","","","0.71073","MoKα","","0.0551","0.0346","","","0.0758","0.0849","","","","","","1.037","","","","has coordinates","176077","2020-10-21","18:00:00",""
"7036976","8.5748","0.0002","7.6434","0.0002","13.3454","0.0003","90","","92.171","0.001","90","","874.04","0.04","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C6 H10 I N S -","- C6 H10 I N S -","- C24 H40 I4 N4 S4 -","4","1","","Binder, Justin F.; Corrente, Andrea M.; Macdonald, Charles L. B.","A simple route to phosphamethine cyanines from S,N-heterocyclic carbenes.","Dalton transactions (Cambridge, England : 2003)","2016","45","5","2138","2147","10.1039/c5dt03019f","","","0.71073","MoKα","","0.0243","0.0242","","","0.0661","0.0665","","","","","","1.278","","","","has coordinates","176081","2020-10-21","18:00:00",""
"7036977","7.2083","0.001","8.0237","0.0011","8.88","0.0012","78.772","0.001","82.519","0.001","73.702","0.001","481.96","0.11","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C7 H12 I N S -","- C7 H12 I N S -","- C14 H24 I2 N2 S2 -","2","1","","Binder, Justin F.; Corrente, Andrea M.; Macdonald, Charles L. B.","A simple route to phosphamethine cyanines from S,N-heterocyclic carbenes.","Dalton transactions (Cambridge, England : 2003)","2016","45","5","2138","2147","10.1039/c5dt03019f","","","0.71073","MoKα","","0.0222","0.0207","","","0.0472","0.0481","","","","","","1.049","","","","has coordinates","176081","2020-10-21","18:00:00",""
"7036978","12.0281","0.0014","7.7753","0.0009","11.5619","0.0013","90","","90","","90","","1081.3","0.2","173","2","173","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C8 H14 I N S -","- C8 H14 I N S -","- C32 H56 I4 N4 S4 -","4","0.5","","Binder, Justin F.; Corrente, Andrea M.; Macdonald, Charles L. B.","A simple route to phosphamethine cyanines from S,N-heterocyclic carbenes.","Dalton transactions (Cambridge, England : 2003)","2016","45","5","2138","2147","10.1039/c5dt03019f","","","0.71073","MoKα","","0.0291","0.0254","","","0.0521","0.0539","","","","","","1.115","","","","has coordinates","176081","2020-10-21","18:00:00",""
"7036979","7.374","0.0009","16.65","0.002","8.6559","0.001","90","","103.422","0.001","90","","1033.7","0.2","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C9 H10 I N S -","- C9 H10 I N S -","- C36 H40 I4 N4 S4 -","4","1","","Binder, Justin F.; Corrente, Andrea M.; Macdonald, Charles L. B.","A simple route to phosphamethine cyanines from S,N-heterocyclic carbenes.","Dalton transactions (Cambridge, England : 2003)","2016","45","5","2138","2147","10.1039/c5dt03019f","","","0.71073","MoKα","","0.0386","0.0354","","","0.0684","0.0698","","","","","","1.295","","","","has coordinates","176081","2020-10-21","18:00:00",""
"7036980","17.471","0.003","13.112","0.002","5.2955","0.0009","90","","90","","90","","1213.1","0.3","173","2","173","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C11 H14 I N S -","- C11 H14 I N S -","- C44 H56 I4 N4 S4 -","4","1","","Binder, Justin F.; Corrente, Andrea M.; Macdonald, Charles L. B.","A simple route to phosphamethine cyanines from S,N-heterocyclic carbenes.","Dalton transactions (Cambridge, England : 2003)","2016","45","5","2138","2147","10.1039/c5dt03019f","","","0.71073","MoKα","","0.0733","0.0498","","","0.0946","0.1032","","","","","","1.143","","","","has coordinates","176081","2020-10-21","18:00:00",""
"7036981","8.4609","0.001","9.3845","0.0011","20.267","0.002","90","","90","","90","","1609.2","0.3","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H18 N2 S2 -","- C18 H18 N2 S2 -","- C72 H72 N8 S8 -","4","1","","Binder, Justin F.; Corrente, Andrea M.; Macdonald, Charles L. B.","A simple route to phosphamethine cyanines from S,N-heterocyclic carbenes.","Dalton transactions (Cambridge, England : 2003)","2016","45","5","2138","2147","10.1039/c5dt03019f","","","0.71073","MoKα","","0.0468","0.0388","","","0.0834","0.0872","","","","","","1.048","","","","has coordinates","176081","2020-10-21","18:00:00",""
"7036982","14.6665","0.0007","10.2797","0.0005","13.4062","0.0007","90","","118.41","0.0018","90","","1777.8","0.16","173.19","","173.19","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C14 H22 I N2 P S2 -","- C14 H22 I N2 P S2 -","- C56 H88 I4 N8 P4 S8 -","4","0.5","","Binder, Justin F.; Corrente, Andrea M.; Macdonald, Charles L. B.","A simple route to phosphamethine cyanines from S,N-heterocyclic carbenes.","Dalton transactions (Cambridge, England : 2003)","2016","45","5","2138","2147","10.1039/c5dt03019f","","","0.71073","MoKα","","0.0342","0.0235","","","0.0429","0.0455","","","","","","1.092","","","","has coordinates","176081","2020-10-21","18:00:00",""
"7036983","11.8142","0.0007","7.144","0.0004","24.3816","0.0013","90","","103.289","0.002","90","","2002.7","0.2","173.2","","173.2","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C14 H22 I N2 P S4 -","- C14 H22 I N2 P S4 -","- C56 H88 I4 N8 P4 S16 -","4","1","","Binder, Justin F.; Corrente, Andrea M.; Macdonald, Charles L. B.","A simple route to phosphamethine cyanines from S,N-heterocyclic carbenes.","Dalton transactions (Cambridge, England : 2003)","2016","45","5","2138","2147","10.1039/c5dt03019f","","","0.71073","MoKα","","0.0515","0.034","","","0.0612","0.0657","","","","","","1.059","","","","has coordinates","176081","2020-10-21","18:00:00",""
"7036984","10.5219","0.001","12.3405","0.0006","16.756","0.0014","90","","99.201","0.007","90","","2147.7","0.3","143","2","143","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C18 H26 Cl2 Fe P2 Si -","- C18 H26 Cl2 Fe P2 Si -","- C72 H104 Cl8 Fe4 P8 Si4 -","4","1","","Kargin, Denis; Kelemen, Zsolt; Krekić, Kristijan; Maurer, Martin; Bruhn, Clemens; Nyulászi, László; Pietschnig, Rudolf","[3]Ferrocenophanes with the bisphosphanotetryl bridge: inorganic rings on the way to tetrylenes.","Dalton transactions (Cambridge, England : 2003)","2016","45","5","2180","2189","10.1039/c5dt03107a","","","0.71073","MoKα","","0.0251","0.02","","","0.0513","0.0533","","","","","","0.954","","","","has coordinates","176088","2020-10-21","18:00:00",""
"7036985","6.4147","0.0003","17.8803","0.0006","18.9078","0.001","90","","99.599","0.004","90","","2138.3","0.17","100","2","100","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C18 H26 Br2 Fe P2 Si -","- C18 H26 Br2 Fe P2 Si -","- C72 H104 Br8 Fe4 P8 Si4 -","4","1","","Kargin, Denis; Kelemen, Zsolt; Krekić, Kristijan; Maurer, Martin; Bruhn, Clemens; Nyulászi, László; Pietschnig, Rudolf","[3]Ferrocenophanes with the bisphosphanotetryl bridge: inorganic rings on the way to tetrylenes.","Dalton transactions (Cambridge, England : 2003)","2016","45","5","2180","2189","10.1039/c5dt03107a","","","0.71073","MoKα","","0.0439","0.0374","","","0.0949","0.0996","","","","","","1.034","","","","has coordinates","176088","2020-10-21","18:00:00",""
"7036986","6.118","0.0005","12.6634","0.0011","16.8515","0.0014","109.022","0.006","94.61","0.006","102.104","0.007","1191.11","0.19","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H34 Fe P2 Si -","- C24 H34 Fe P2 Si -","- C48 H68 Fe2 P4 Si2 -","2","1","","Kargin, Denis; Kelemen, Zsolt; Krekić, Kristijan; Maurer, Martin; Bruhn, Clemens; Nyulászi, László; Pietschnig, Rudolf","[3]Ferrocenophanes with the bisphosphanotetryl bridge: inorganic rings on the way to tetrylenes.","Dalton transactions (Cambridge, England : 2003)","2016","45","5","2180","2189","10.1039/c5dt03107a","","","0.71073","MoKα","","0.0357","0.0345","","","0.1007","0.1019","","","","","","1.066","","","","has coordinates","176088","2020-10-21","18:00:00",""
"7036987","10.7839","0.0008","11.3855","0.0006","18.8031","0.0014","90","","90.907","0.006","90","","2308.4","0.3","200","2","200","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C18 H26 Fe I2 P2 Si -","- C18 H26 Fe I2 P2 Si -","- C72 H104 Fe4 I8 P8 Si4 -","4","1","","Kargin, Denis; Kelemen, Zsolt; Krekić, Kristijan; Maurer, Martin; Bruhn, Clemens; Nyulászi, László; Pietschnig, Rudolf","[3]Ferrocenophanes with the bisphosphanotetryl bridge: inorganic rings on the way to tetrylenes.","Dalton transactions (Cambridge, England : 2003)","2016","45","5","2180","2189","10.1039/c5dt03107a","","","0.71073","MoKα","","0.0277","0.0227","","","0.0556","0.0576","","","","","","1.047","","","","has coordinates","176088","2020-10-21","18:00:00",""
"7037033","12.9288","0.0005","15.1892","0.0006","16.9523","0.0006","99.703","0.003","91.898","0.003","97.591","0.003","3247.5","0.2","293","2","293","2","","","","","","","synthesis as described","9","P -1","-P 1","2","","","","- C55 H88 Cl Li Mo N2 O11 P2 W -","- C55 H88 Cl Li Mo N2 O11 P2 W -","- C110 H176 Cl2 Li2 Mo2 N4 O22 P4 W2 -","2","1","","Grubba, Rafał; Ordyszewska, Anna; Ponikiewski, Łukasz; Gudat, Dietrich; Pikies, Jerzy","An investigation on the chemistry of the R2P[double bond, length as m-dash]P ligand: reactions of a phosphanylphosphinidene complex of tungsten(vi) with electrophilic reagents.","Dalton transactions (Cambridge, England : 2003)","2016","45","5","2172","2179","10.1039/c5dt03085d","","","0.71073","MoKα","","0.046","0.0392","","","0.0821","0.0889","","","","","","1.063","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7037034","12.7661","0.0008","33.693","0.0015","13.4621","0.0006","90","","96.479","0.004","90","","5753.4","0.5","150","2","150","2","","","","","","","synthesis as described","9","P 1 21/n 1","-P 2yn","14","","","","- C49 H82 Cl Cr Li N2 O11 P2 W -","- C49 H82 Cl Cr Li N2 O11 P2 W -","- C196 H328 Cl4 Cr4 Li4 N8 O44 P8 W4 -","4","1","","Grubba, Rafał; Ordyszewska, Anna; Ponikiewski, Łukasz; Gudat, Dietrich; Pikies, Jerzy","An investigation on the chemistry of the R2P[double bond, length as m-dash]P ligand: reactions of a phosphanylphosphinidene complex of tungsten(vi) with electrophilic reagents.","Dalton transactions (Cambridge, England : 2003)","2016","45","5","2172","2179","10.1039/c5dt03085d","","","0.71073","MoKα","","0.0474","0.0287","","","0.0599","0.0633","","","","","","0.892","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7037035","24.407","0.0002","13.1021","0.0003","19.3701","0.0004","90","","90","","90","","6194.2","0.2","150","2","150","2","","","","","","","synthesis as described","8","P n a 21","P 2c -2n","33","","","","- C52 H90 Cl Li N2 O8 P3 W2 -","- C52 H90 Cl Li N2 O8 P3 W2 -","- C208 H360 Cl4 Li4 N8 O32 P12 W8 -","4","1","","Grubba, Rafał; Ordyszewska, Anna; Ponikiewski, Łukasz; Gudat, Dietrich; Pikies, Jerzy","An investigation on the chemistry of the R2P[double bond, length as m-dash]P ligand: reactions of a phosphanylphosphinidene complex of tungsten(vi) with electrophilic reagents.","Dalton transactions (Cambridge, England : 2003)","2016","45","5","2172","2179","10.1039/c5dt03085d","","","0.71073","MoKα","","0.0453","0.0375","","","0.0896","0.0926","","","","","","1.013","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7037036","10.0532","0.0005","11.0185","0.0006","18.3344","0.0007","75.349","0.003","82.138","0.003","67.418","0.003","1812.45","0.16","150","2","150","2","","","","","","","synthesis as described","7","P -1","-P 1","2","","","","- C33 H55 Cl0.48 I0.52 N2 P2 W -","- C33 H55 Cl0.483 I0.517 N2 P2 W -","- C66 H110 Cl0.966 I1.034 N4 P4 W2 -","2","1","","Grubba, Rafał; Ordyszewska, Anna; Ponikiewski, Łukasz; Gudat, Dietrich; Pikies, Jerzy","An investigation on the chemistry of the R2P[double bond, length as m-dash]P ligand: reactions of a phosphanylphosphinidene complex of tungsten(vi) with electrophilic reagents.","Dalton transactions (Cambridge, England : 2003)","2016","45","5","2172","2179","10.1039/c5dt03085d","","","0.71073","MoKα","","0.0406","0.03","","","0.0583","0.06","","","","","","0.905","","","","has coordinates,has disorder","176083","2020-10-21","18:00:00",""
"7037037","14.9605","0.0003","17.8145","0.0004","19.5352","0.0004","79.946","0.001","82.256","0.001","83.423","0.001","5057.55","0.19","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C110.15 H161.65 P2 Sn2 -","- C110.14 H161.66 P2 Sn2 -","- C220.28 H323.32 P4 Sn4 -","2","1","","Krebs, K. M.; Jamin, J.; Wesemann, L.","Reaction of an allylstannylene with adamantyl phosphaalkyne.","Dalton transactions (Cambridge, England : 2003)","2016","45","14","5933","5936","10.1039/c5dt03792a","","","0.71073","MoKα","","0.093","0.0535","","","0.1275","0.1455","","","","","","1.029","","","","has coordinates,has disorder","181738","2020-10-21","18:00:00",""
"7037045","8.5532","0.0017","9.742","0.002","30.812","0.008","90","","90.871","0.018","90","","2567.1","1","140","1","140","1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H3 B Cl10 F6 -","- C20 H3 B Cl10 F6 -","- C80 H12 B4 Cl40 F24 -","4","1","","Blagg, Robin J.; Simmons, Trevor R.; Hatton, Georgina R.; Courtney, James M.; Bennett, Elliot L.; Lawrence, Elliot J.; Wildgoose, Gregory G.","Novel B(Ar')2(Ar'') hetero-tri(aryl)boranes: a systematic study of Lewis acidity.","Dalton transactions (Cambridge, England : 2003)","2016","45","14","6032","6043","10.1039/c5dt03854e","","x-ray","0.71073","MoKα","","0.2819","0.0891","","","0.1457","0.2313","","","","","","1.013","","","","has coordinates,has disorder","181741","2020-10-21","18:00:00",""
"7037046","11.5422","0.0008","13.15","0.0008","16.663","0.001","90","","103.799","0.007","90","","2456.1","0.3","140","1","140","1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C22 H6 B Cl5 F12 -","- C22 H6 B Cl5 F12 -","- C88 H24 B4 Cl20 F48 -","4","0.5","","Blagg, Robin J.; Simmons, Trevor R.; Hatton, Georgina R.; Courtney, James M.; Bennett, Elliot L.; Lawrence, Elliot J.; Wildgoose, Gregory G.","Novel B(Ar')2(Ar'') hetero-tri(aryl)boranes: a systematic study of Lewis acidity.","Dalton transactions (Cambridge, England : 2003)","2016","45","14","6032","6043","10.1039/c5dt03854e","","x-ray","0.71073","MoKα","","0.0755","0.0417","","","0.0808","0.0925","","","","","","1.009","","","","has coordinates","181741","2020-10-21","18:00:00",""
"7037055","15.43134","0.00014","15.43134","0.00014","19.2746","0.0003","90","","90","","90","","4589.79","0.09","300","3","300","3","","","","","","","","5","P 4/n n c","-P 4a 2bc","126","","DPe-DMOF(Zn)","","- C21 H30 N O6 Zn -","- C21 H24 N O6 Zn -","- C168 H192 N8 O48 Zn8 -","8","","","Schwedler, Inke; Henke, Sebastian; Wharmby, Michael T.; Bajpe, Sneha R.; Cheetham, Anthony K.; Fischer, Roland A.","Mixed-linker solid solutions of functionalized pillared-layer MOFs - adjusting structural flexibility, gas sorption, and thermal responsiveness.","Dalton transactions (Cambridge, England : 2003)","2016","45","10","4230","4241","10.1039/c5dt03825a","","x-ray","0.71073","MoKα","","0.085","0.0585","","","0.1961","0.2213","","","","","","1.119","","","","has coordinates,has disorder","177796","2020-10-21","18:00:00",""
"7037079","41.5216","0.0003","41.5216","0.0003","41.5216","0.0003","90","","90","","90","","71585","0.9","150","2","150","2","","","","","","","","5","F m -3 m","-F 4 2 3","225","","","","- C84 H50 N12 Ni6 O26 -","- C84 H50 N12 Ni6 O26 -","- C1344 H800 N192 Ni96 O416 -","16","0.0833333","","Wei, Yong-Sheng; Shen, Jian-Qiang; Liao, Pei-Qin; Xue, Wei; Zhang, Jie-Peng; Chen, Xiao-Ming","Synthesis and stabilization of a hypothetical porous framework based on a classic flexible metal carboxylate cluster.","Dalton transactions (Cambridge, England : 2003)","2016","45","10","4269","4273","10.1039/c5dt03478g","","","1.54178","CuKα","","0.0779","0.0656","","","0.2233","0.2421","","","","","","1.036","","","","has coordinates,has disorder","177797","2020-10-21","18:00:00",""
"7037080","41.286","0.002","41.286","0.002","41.286","0.002","90","","90","","90","","70373","6","213","2","213","2","","","","","","","","5","F m -3 m","-F 4 2 3","225","","","","- C84 H51.5 N6 Ni9 O41 -","- C84 H51.5 N6 Ni9 O41 -","- C1344 H824 N96 Ni144 O656 -","16","0.0833333","","Wei, Yong-Sheng; Shen, Jian-Qiang; Liao, Pei-Qin; Xue, Wei; Zhang, Jie-Peng; Chen, Xiao-Ming","Synthesis and stabilization of a hypothetical porous framework based on a classic flexible metal carboxylate cluster.","Dalton transactions (Cambridge, England : 2003)","2016","45","10","4269","4273","10.1039/c5dt03478g","","","1.54178","CuKα","","0.0647","0.0628","","","0.219","0.2235","","","","","","1.001","","","","has coordinates,has disorder","177797","2020-10-21","18:00:00",""
"7037081","41.258","0.003","41.258","0.003","41.258","0.003","90","","90","","90","","70230","9","150","2","150","2","","","","","","","","5","F m -3 m","-F 4 2 3","225","","","","- C84 H51.5 Fe7.5 N6 O39.5 -","- C84 H49.5 Fe7.5 N6 O39.5 -","- C1344 H792 Fe120 N96 O632 -","16","0.0833333","","Wei, Yong-Sheng; Shen, Jian-Qiang; Liao, Pei-Qin; Xue, Wei; Zhang, Jie-Peng; Chen, Xiao-Ming","Synthesis and stabilization of a hypothetical porous framework based on a classic flexible metal carboxylate cluster.","Dalton transactions (Cambridge, England : 2003)","2016","45","10","4269","4273","10.1039/c5dt03478g","","","1.54178","CuKα","","0.1311","0.1173","","","0.3441","0.3774","","","","","","1.036","","","","has coordinates,has disorder","177797","2020-10-21","18:00:00",""
"7037082","9.0933","0.0003","11.0308","0.0004","10.0368","0.0004","90","","94.676","0.001","90","","1003.4","0.06","150","2","150","2","","","","","","","synthesis as described","5","P 1 21/a 1","-P 2yab","14","","","","- C11 H8 Cl N S -","- C11 H8 Cl N S -","- C44 H32 Cl4 N4 S4 -","4","1","","Peel, Andrew J.; Hedidi, Madani; Bentabed-Ababsa, Ghenia; Roisnel, Thierry; Mongin, Florence; Wheatley, Andrew E. H.","Extending motifs in lithiocuprate chemistry: unexpected structural diversity in thiocyanate complexes.","Dalton transactions (Cambridge, England : 2003)","2016","45","14","6094","6104","10.1039/c5dt03882k","","x-ray","0.71073","MoKα","","0.0325","0.0287","","","0.0716","0.0741","","","","","","1.01","","","","has coordinates,has disorder","181729","2020-10-21","18:00:00",""
"7037083","7.4916","0.0007","8.4263","0.0009","8.7496","0.0009","90","","93.708","0.004","90","","551.18","0.1","294","2","294","2","","","","","","","synthesis as described","5","P 1 21 1","P 2yb","4","","","","- C11 H7 Cl2 N S -","- C11 H7 Cl2 N S -","- C22 H14 Cl4 N2 S2 -","2","1","","Peel, Andrew J.; Hedidi, Madani; Bentabed-Ababsa, Ghenia; Roisnel, Thierry; Mongin, Florence; Wheatley, Andrew E. H.","Extending motifs in lithiocuprate chemistry: unexpected structural diversity in thiocyanate complexes.","Dalton transactions (Cambridge, England : 2003)","2016","45","14","6094","6104","10.1039/c5dt03882k","","x-ray","0.71073","MoKα","","0.0318","0.0299","","","0.0788","0.0805","","","","","","1.048","","","","has coordinates","181729","2020-10-21","18:00:00",""
"7037084","15.117","0.0007","14.7117","0.0007","25.3458","0.0011","90","","104.763","0.002","90","","5450.7","0.4","180","2","180","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C46 H88 Cu2 Li4 N6 O2 S2 -","- C46 H88 Cu2 Li4 N6 O2 S2 -","- C184 H352 Cu8 Li16 N24 O8 S8 -","4","1","","Peel, Andrew J.; Hedidi, Madani; Bentabed-Ababsa, Ghenia; Roisnel, Thierry; Mongin, Florence; Wheatley, Andrew E. H.","Extending motifs in lithiocuprate chemistry: unexpected structural diversity in thiocyanate complexes.","Dalton transactions (Cambridge, England : 2003)","2016","45","14","6094","6104","10.1039/c5dt03882k","","","1.5418","CuKα","","0.0612","0.0474","","","0.1294","0.1398","","","","","","1.03","","","","has coordinates","181729","2020-10-21","18:00:00",""
"7037085","15.8974","0.0007","8.1755","0.0003","22.0201","0.0009","90","","100.199","0.002","90","","2816.7","0.2","180","2","180","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C48 H92 Cu2 Li4 N6 O2 S2 -","- C48 H92 Cu2 Li4 N6 O2 S2 -","- C96 H184 Cu4 Li8 N12 O4 S4 -","2","0.5","","Peel, Andrew J.; Hedidi, Madani; Bentabed-Ababsa, Ghenia; Roisnel, Thierry; Mongin, Florence; Wheatley, Andrew E. H.","Extending motifs in lithiocuprate chemistry: unexpected structural diversity in thiocyanate complexes.","Dalton transactions (Cambridge, England : 2003)","2016","45","14","6094","6104","10.1039/c5dt03882k","","","1.5418","CuKα","","0.0466","0.036","","","0.0929","0.098","","","","","","1.037","","","","has coordinates","181729","2020-10-21","18:00:00",""
"7037086","16.1549","0.0005","11.4981","0.0003","15.265","0.0005","90","","98.687","0.002","90","","2802.96","0.15","180","2","180","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C46 H92 Cu2 Li4 N6 O2 S2 -","- C46 H92 Cu2 Li4 N6 O2 S2 -","- C92 H184 Cu4 Li8 N12 O4 S4 -","2","0.5","","Peel, Andrew J.; Hedidi, Madani; Bentabed-Ababsa, Ghenia; Roisnel, Thierry; Mongin, Florence; Wheatley, Andrew E. H.","Extending motifs in lithiocuprate chemistry: unexpected structural diversity in thiocyanate complexes.","Dalton transactions (Cambridge, England : 2003)","2016","45","14","6094","6104","10.1039/c5dt03882k","","","1.5418","CuKα","","0.0538","0.0409","","","0.1043","0.1129","","","","","","1.016","","","","has coordinates,has disorder","181729","2020-10-21","18:00:00",""
"7037087","9.0869","0.0004","11.3341","0.0005","13.604","0.0006","86.21","0.002","76.776","0.002","82.219","0.002","1350.49","0.1","180","2","180","2","","","","","","","","6","P -1","-P 1","2","","","","- C48 H92 Cu2 Li4 N6 O2 -","- C48 H92 Cu2 Li4 N6 O2 -","- C48 H92 Cu2 Li4 N6 O2 -","1","0.5","","Peel, Andrew J.; Hedidi, Madani; Bentabed-Ababsa, Ghenia; Roisnel, Thierry; Mongin, Florence; Wheatley, Andrew E. H.","Extending motifs in lithiocuprate chemistry: unexpected structural diversity in thiocyanate complexes.","Dalton transactions (Cambridge, England : 2003)","2016","45","14","6094","6104","10.1039/c5dt03882k","","","1.5418","CuKα","","0.0723","0.0624","","","0.1896","0.1991","","","","","","1.072","","","","has coordinates,has disorder","181729","2020-10-21","18:00:00",""
"7037122","11.8262","0.0002","12.9247","0.0002","20.5761","0.0003","90","","90","","90","","3145.06","0.09","130","2","130","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C15 H11 Cr Fe O5 P -","- C15 H11 Cr Fe O5 P -","- C120 H88 Cr8 Fe8 O40 P8 -","8","1","","Pritzwald-Stegmann, Julian Rodger Frederic; Lönnecke, Peter; Hey-Hawkins, Evamarie","Hydrophosphination reactions with transition metal ferrocenylphosphine complexes.","Dalton transactions (Cambridge, England : 2003)","2016","45","5","2208","2217","10.1039/c5dt03374h","","","0.71073","MoKα","","0.0377","0.0284","","","0.0658","0.0703","","","","","","1.053","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7037123","12.0167","0.0001","12.9896","0.0001","20.833","0.0002","90","","90","","90","","3251.87","0.05","130","2","130","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C15 H11 Fe O5 P W -","- C15 H11 Fe O5 P W -","- C120 H88 Fe8 O40 P8 W8 -","8","1","","Pritzwald-Stegmann, Julian Rodger Frederic; Lönnecke, Peter; Hey-Hawkins, Evamarie","Hydrophosphination reactions with transition metal ferrocenylphosphine complexes.","Dalton transactions (Cambridge, England : 2003)","2016","45","5","2208","2217","10.1039/c5dt03374h","","","0.71073","MoKα","","0.039","0.032","","","0.0606","0.0629","","","","","","1.235","","","","has coordinates","176060","2020-10-21","18:00:00",""
"7037124","13.4639","0.0003","5.9608","0.0002","57.054","0.002","90","","90","","90","","4578.9","0.2","130","2","130","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C24 H22 Cr Fe2 O4 P2 -","- C24 H22 Cr Fe2 O4 P2 -","- C192 H176 Cr8 Fe16 O32 P16 -","8","2","","Pritzwald-Stegmann, Julian Rodger Frederic; Lönnecke, Peter; Hey-Hawkins, Evamarie","Hydrophosphination reactions with transition metal ferrocenylphosphine complexes.","Dalton transactions (Cambridge, England : 2003)","2016","45","5","2208","2217","10.1039/c5dt03374h","","","0.71073","MoKα","","0.0651","0.0625","","","0.1687","0.1709","","","","","","1.175","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7037125","13.5345","0.0002","6.0292","0.0001","57.7249","0.0009","90","","90","","90","","4710.48","0.13","130","2","130","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C24 H22 Fe2 Mo O4 P2 -","- C24 H22 Fe2 Mo O4 P2 -","- C192 H176 Fe16 Mo8 O32 P16 -","8","2","","Pritzwald-Stegmann, Julian Rodger Frederic; Lönnecke, Peter; Hey-Hawkins, Evamarie","Hydrophosphination reactions with transition metal ferrocenylphosphine complexes.","Dalton transactions (Cambridge, England : 2003)","2016","45","5","2208","2217","10.1039/c5dt03374h","","","0.71073","MoKα","","0.0331","0.0313","","","0.0725","0.0735","","","","","","1.055","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7037126","13.5214","0.0002","6.0075","0.0001","57.6562","0.0009","90","","90","","90","","4683.4","0.13","130","2","130","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C24 H22 Fe2 O4 P2 W -","- C24 H22 Fe2 O4 P2 W -","- C192 H176 Fe16 O32 P16 W8 -","8","2","","Pritzwald-Stegmann, Julian Rodger Frederic; Lönnecke, Peter; Hey-Hawkins, Evamarie","Hydrophosphination reactions with transition metal ferrocenylphosphine complexes.","Dalton transactions (Cambridge, England : 2003)","2016","45","5","2208","2217","10.1039/c5dt03374h","","","0.71073","MoKα","","0.0385","0.0369","","","0.0751","0.0759","","","","","","1.137","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7037127","19.427","0.0005","19.427","0.0005","6.9808","0.0003","90","","90","","120","","2281.64","0.13","130","2","130","2","","","","","","","","6","R 3 :H","R 3","146","","","","- C33 H33 Cr Fe3 O3 P3 -","- C33 H33 Cr Fe3 O3 P3 -","- C99 H99 Cr3 Fe9 O9 P9 -","3","0.333333","","Pritzwald-Stegmann, Julian Rodger Frederic; Lönnecke, Peter; Hey-Hawkins, Evamarie","Hydrophosphination reactions with transition metal ferrocenylphosphine complexes.","Dalton transactions (Cambridge, England : 2003)","2016","45","5","2208","2217","10.1039/c5dt03374h","","","0.71073","MoKα","","0.034","0.0273","","","0.0513","0.0538","","","","","","1.004","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7037128","19.6082","0.0004","19.6082","0.0004","6.9759","0.0003","90","","90","","120","","2322.77","0.12","130","2","130","2","","","","","","","","6","R 3 :H","R 3","146","","","","- C33 H33 Fe3 Mo O3 P3 -","- C33 H33 Fe3 Mo O3 P3 -","- C99 H99 Fe9 Mo3 O9 P9 -","3","0.333333","","Pritzwald-Stegmann, Julian Rodger Frederic; Lönnecke, Peter; Hey-Hawkins, Evamarie","Hydrophosphination reactions with transition metal ferrocenylphosphine complexes.","Dalton transactions (Cambridge, England : 2003)","2016","45","5","2208","2217","10.1039/c5dt03374h","","","0.71073","MoKα","","0.027","0.026","","","0.0607","0.0614","","","","","","1.023","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7037129","6.0768","0.0001","20.8259","0.0003","15.3377","0.0003","90","","98.149","0.002","90","","1921.46","0.06","130","2","130","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C18 H14 Fe N O5 P W -","- C18 H14 Fe N O5 P W -","- C72 H56 Fe4 N4 O20 P4 W4 -","4","1","","Pritzwald-Stegmann, Julian Rodger Frederic; Lönnecke, Peter; Hey-Hawkins, Evamarie","Hydrophosphination reactions with transition metal ferrocenylphosphine complexes.","Dalton transactions (Cambridge, England : 2003)","2016","45","5","2208","2217","10.1039/c5dt03374h","","","0.71073","MoKα","","0.036","0.0262","","","0.0483","0.0516","","","","","","1.024","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7037130","26.0651","0.0016","7.7824","0.0003","25.9327","0.0013","90","","116.124","0.003","90","","4723","0.4","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C17 H24 Cu F6 N7 P2 -","- C17 H24 Cu F6 N7 P2 -","- C136 H192 Cu8 F48 N56 P16 -","8","1","","Tazelaar, Cornelis G. J.; Nicolas, Emmanuel; van Dijk, Tom; Broere, Daniël L J; Cardol, Mitchel; Lutz, Martin; Gudat, Dietrich; Slootweg, J. Chris; Lammertsma, Koop","Tris(pyrazolyl)phosphines with copper(i): from monomers to polymers.","Dalton transactions (Cambridge, England : 2003)","2016","45","5","2237","2249","10.1039/c5dt03994k","","","0.71073","MoKα","","0.0704","0.0484","","","0.1198","0.1328","","","","","","1.023","","","","has coordinates","176061","2020-10-21","18:00:00",""
"7037131","14.3558","0.0001","31.5939","0.0002","16.7621","0.0001","90","","90.6316","0.0002","90","","7602.08","0.08","150","2","150","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C34 H38 Cl2 Cu F6 N6 P3 -","- C34 H38 Cl2 Cu F6 N6 P3 -","- C272 H304 Cl16 Cu8 F48 N48 P24 -","8","2","","Tazelaar, Cornelis G. J.; Nicolas, Emmanuel; van Dijk, Tom; Broere, Daniël L J; Cardol, Mitchel; Lutz, Martin; Gudat, Dietrich; Slootweg, J. Chris; Lammertsma, Koop","Tris(pyrazolyl)phosphines with copper(i): from monomers to polymers.","Dalton transactions (Cambridge, England : 2003)","2016","45","5","2237","2249","10.1039/c5dt03994k","","","0.71073","MoKα","","0.0729","0.0481","","","0.1134","0.125","","","","","","1.026","","","","has coordinates,has disorder","176061","2020-10-21","18:00:00",""
"7037132","19.5288","0.0014","19.5288","0.0014","18.0311","0.0014","90","","90","","120","","5955.3","0.8","110","2","110","2","","","","","","","","6","P 3 1 c","P 3 -2c","159","","","","- C18 H18 Cu F6 N12 P3 -","- C18 H18 Cu F6 N12 P3 -","- C144 H144 Cu8 F48 N96 P24 -","8","1.33333","","Tazelaar, Cornelis G. J.; Nicolas, Emmanuel; van Dijk, Tom; Broere, Daniël L J; Cardol, Mitchel; Lutz, Martin; Gudat, Dietrich; Slootweg, J. Chris; Lammertsma, Koop","Tris(pyrazolyl)phosphines with copper(i): from monomers to polymers.","Dalton transactions (Cambridge, England : 2003)","2016","45","5","2237","2249","10.1039/c5dt03994k","","","0.71073","MoKα","","0.0377","0.0317","","","0.0799","0.083","","","","","","1.05","","","","has coordinates","176061","2020-10-21","18:00:00",""
"7037133","21.2337","0.0005","21.2337","0.0005","10.6155","0.0004","90","","90","","120","","4145","0.2","150","2","150","2","","","","","","","","7","P 3 1 c","P 3 -2c","159","","","","- C15 H21 Cl6 Cu F6 N6 P2 -","- C15 H21 Cl6 Cu F6 N6 P2 -","- C90 H126 Cl36 Cu6 F36 N36 P12 -","6","1","","Tazelaar, Cornelis G. J.; Nicolas, Emmanuel; van Dijk, Tom; Broere, Daniël L J; Cardol, Mitchel; Lutz, Martin; Gudat, Dietrich; Slootweg, J. Chris; Lammertsma, Koop","Tris(pyrazolyl)phosphines with copper(i): from monomers to polymers.","Dalton transactions (Cambridge, England : 2003)","2016","45","5","2237","2249","10.1039/c5dt03994k","","","0.71073","MoKα","","0.0627","0.0462","","","0.11","0.1176","","","","","","1.03","","","","has coordinates,has disorder","176061","2020-10-21","18:00:00",""
"7037134","11.9578","0.0008","12.7183","0.0014","13.2817","0.0008","87.521","0.003","88.058","0.003","84.097","0.004","2006.4","0.3","150","2","150","2","","","","","","","","6","P 1","P 1","1","","","","- C9 H9 Cu F6 N6 P2 -","- C9 H9 Cu F6 N6 P2 -","- C36 H36 Cu4 F24 N24 P8 -","4","4","","Tazelaar, Cornelis G. J.; Nicolas, Emmanuel; van Dijk, Tom; Broere, Daniël L J; Cardol, Mitchel; Lutz, Martin; Gudat, Dietrich; Slootweg, J. Chris; Lammertsma, Koop","Tris(pyrazolyl)phosphines with copper(i): from monomers to polymers.","Dalton transactions (Cambridge, England : 2003)","2016","45","5","2237","2249","10.1039/c5dt03994k","","","0.71073","MoKα","","0.1133","0.0697","","","0.1768","0.1987","","","","","","1.064","","","","has coordinates,has disorder","176061","2020-10-21","18:00:00",""
"7037135","21.2193","0.0006","21.2193","0.0006","10.6362","0.0005","90","","90","","120","","4147.4","0.3","150","2","150","2","","","","","","","","7","P 3 1 c","P 3 -2c","159","","","","- C15 H21 Cl6 Cu F6 N6 P2 -","- C15 H21 Cl6 Cu F6 N6 P2 -","- C90 H126 Cl36 Cu6 F36 N36 P12 -","6","1","","Tazelaar, Cornelis G. J.; Nicolas, Emmanuel; van Dijk, Tom; Broere, Daniël L J; Cardol, Mitchel; Lutz, Martin; Gudat, Dietrich; Slootweg, J. Chris; Lammertsma, Koop","Tris(pyrazolyl)phosphines with copper(i): from monomers to polymers.","Dalton transactions (Cambridge, England : 2003)","2016","45","5","2237","2249","10.1039/c5dt03994k","","","0.71073","MoKα","","0.039","0.0307","","","0.0646","0.0677","","","","","","0.994","","","","has coordinates,has disorder","176061","2020-10-21","18:00:00",""
"7037148","12.6725","0.0003","10.3622","0.0003","16.8729","0.0005","90","","99.97","0.0013","90","","2182.2","0.1","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C26 H33 P -","- C26 H33 P -","- C104 H132 P4 -","4","1","","Krupski, Sergei; Kehr, Gerald; Daniliuc, Constantin G.; Erker, Gerhard","Unusual borane addition to conjugated dienylphosphanes under frustrated Lewis pair conditions.","Dalton transactions (Cambridge, England : 2003)","2016","45","14","6111","6117","10.1039/c5dt03879k","","","1.54178","CuKα","","0.0445","0.0377","","","0.0948","0.0991","","","","","","1.022","","","","has coordinates","181721","2020-10-21","18:00:00",""
"7037149","11.3422","0.0005","13.9434","0.0007","15.1495","0.0007","81.832","0.002","71.968","0.002","76.313","0.002","2207.35","0.18","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C46 H58 Br2 Cu2 P2 -","- C46 H58 Br2 Cu2 P2 -","- C92 H116 Br4 Cu4 P4 -","2","1","","Krupski, Sergei; Kehr, Gerald; Daniliuc, Constantin G.; Erker, Gerhard","Unusual borane addition to conjugated dienylphosphanes under frustrated Lewis pair conditions.","Dalton transactions (Cambridge, England : 2003)","2016","45","14","6111","6117","10.1039/c5dt03879k","","","0.71073","MoKα","","0.036","0.0259","","","0.0587","0.0631","","","","","","1.032","","","","has coordinates","181721","2020-10-21","18:00:00",""
"7037150","11.2806","0.0004","12.2184","0.0004","17.13","0.0008","75.251","0.001","78.781","0.001","88.548","0.003","2238.89","0.15","223","2","223","2","","","","","","","","5","P -1","-P 1","2","","","","- C43 H36 B F10 P -","- C43 H36 B F10 P -","- C86 H72 B2 F20 P2 -","2","1","","Krupski, Sergei; Kehr, Gerald; Daniliuc, Constantin G.; Erker, Gerhard","Unusual borane addition to conjugated dienylphosphanes under frustrated Lewis pair conditions.","Dalton transactions (Cambridge, England : 2003)","2016","45","14","6111","6117","10.1039/c5dt03879k","","","0.71073","MoKα","","0.1743","0.1011","","","0.2763","0.3124","","","","","","1.082","","","","has coordinates,has disorder","181721","2020-10-21","18:00:00",""
"7037151","11.2089","0.0002","30.0074","0.0006","12.2976","0.0002","90","","95.073","0.001","90","","4120.09","0.13","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C47 H46 B F10 P -","- C47 H46 B F10 P -","- C188 H184 B4 F40 P4 -","4","1","","Krupski, Sergei; Kehr, Gerald; Daniliuc, Constantin G.; Erker, Gerhard","Unusual borane addition to conjugated dienylphosphanes under frustrated Lewis pair conditions.","Dalton transactions (Cambridge, England : 2003)","2016","45","14","6111","6117","10.1039/c5dt03879k","","","1.54178","CuKα","","0.0501","0.0383","","","0.0944","0.101","","","","","","1.024","","","","has coordinates","181721","2020-10-21","18:00:00",""
"7037152","11.362","0.0002","12.3977","0.0002","18.5833","0.0005","73.774","0.001","76.677","0.001","88.827","0.001","2443.07","0.09","223","2","223","2","","","","","","","","5","P -1","-P 1","2","","","","- C41 H42 B F10 P -","- C41 H42 B F10 P -","- C82 H84 B2 F20 P2 -","2","1","","Krupski, Sergei; Kehr, Gerald; Daniliuc, Constantin G.; Erker, Gerhard","Unusual borane addition to conjugated dienylphosphanes under frustrated Lewis pair conditions.","Dalton transactions (Cambridge, England : 2003)","2016","45","14","6111","6117","10.1039/c5dt03879k","","","0.71073","MoKα","","0.1126","0.0816","","","0.2119","0.2306","","","","","","1.084","","","","has coordinates,has disorder","181721","2020-10-21","18:00:00",""
"7037161","10.3513","0.0012","10.381","0.0013","24.524","0.003","94.404","0.003","98.422","0.004","94.918","0.004","2586.6","0.5","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C30 H39 P -","- C30 H39 P -","- C120 H156 P4 -","4","2","","Esfandiarfard, Keyhan; Arkhypchuk, Anna I.; Orthaber, Andreas; Ott, Sascha","Synthesis of the first metal-free phosphanylphosphonate and its use in the ""phospha-Wittig-Horner"" reaction.","Dalton transactions (Cambridge, England : 2003)","2016","45","5","2201","2207","10.1039/c5dt03686k","","","0.71073","MoKα","","0.2216","0.0828","","","0.1658","0.2228","","","","","","0.956","","","","has coordinates","176080","2020-10-21","18:00:00",""
"7037162","9.5128","0.0003","10.5246","0.0004","12.6133","0.0005","74.848","0.002","74.761","0.002","88.062","0.002","1175.24","0.08","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C22 H40 O3 P2 -","- C22 H40 O3 P2 -","- C44 H80 O6 P4 -","2","1","","Esfandiarfard, Keyhan; Arkhypchuk, Anna I.; Orthaber, Andreas; Ott, Sascha","Synthesis of the first metal-free phosphanylphosphonate and its use in the ""phospha-Wittig-Horner"" reaction.","Dalton transactions (Cambridge, England : 2003)","2016","45","5","2201","2207","10.1039/c5dt03686k","","","0.71073","MoKα","","0.081","0.048","","","0.1106","0.1237","","","","","","1.067","","","","has coordinates","176080","2020-10-21","18:00:00",""
"7037170","26.1564","0.0006","7.8711","0.0002","21.2024","0.0005","90","","121.902","0.001","90","","3705.8","0.16","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C17 H20 N4 O5.5 Zn -","- C17 H20 N4 O5.5 Zn -","- C136 H160 N32 O44 Zn8 -","8","1","","Škalamera, Đani; Sanders, Ernest; Vianello, Robert; Maršavelski, Aleksandra; Pevec, Andrej; Turel, Iztok; Kirin, Srećko I","Synthesis and characterization of ML and ML2 metal complexes with amino acid substituted bis(2-picolyl)amine ligands.","Dalton transactions (Cambridge, England : 2003)","2016","45","7","2845","2858","10.1039/c5dt03387j","","","0.71073","MoKα","","0.0422","0.0313","","","0.0759","0.0807","","","","","","1.049","","","","has coordinates","177785","2020-10-21","18:00:00",""
"7037171","9.5678","0.0002","23.4648","0.0007","15.4587","0.0005","90","","92.616","0.002","90","","3466.96","0.17","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C30 H35 N9 O12 Zn2 -","- C30 H35 N9 O12 Zn2 -","- C120 H140 N36 O48 Zn8 -","4","1","","Škalamera, Đani; Sanders, Ernest; Vianello, Robert; Maršavelski, Aleksandra; Pevec, Andrej; Turel, Iztok; Kirin, Srećko I","Synthesis and characterization of ML and ML2 metal complexes with amino acid substituted bis(2-picolyl)amine ligands.","Dalton transactions (Cambridge, England : 2003)","2016","45","7","2845","2858","10.1039/c5dt03387j","","","0.71073","MoKα","","0.0866","0.0501","","","0.1518","0.1954","","","","","","1.173","","","","has coordinates","177785","2020-10-21","18:00:00",""
"7037172","7.5873","0.0007","8.5099","0.0008","17.2513","0.0013","79.837","0.006","85.822","0.005","67.11","0.004","1010.04","0.16","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C16 H19 Br2 N3 O2 Zn -","- C16 H19 Br2 N3 O2 Zn -","- C32 H38 Br4 N6 O4 Zn2 -","2","1","","Škalamera, Đani; Sanders, Ernest; Vianello, Robert; Maršavelski, Aleksandra; Pevec, Andrej; Turel, Iztok; Kirin, Srećko I","Synthesis and characterization of ML and ML2 metal complexes with amino acid substituted bis(2-picolyl)amine ligands.","Dalton transactions (Cambridge, England : 2003)","2016","45","7","2845","2858","10.1039/c5dt03387j","","","0.71073","MoKα","","0.0692","0.048","","","0.1143","0.1263","","","","","","1.092","","","","has coordinates","177785","2020-10-21","18:00:00",""
"7037173","8.0542","0.0005","8.5048","0.0006","16.0539","0.0008","84.712","0.005","86.468","0.005","77.287","0.006","1067.19","0.12","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C15 H17 N5 O8 Zn -","- C15 H17 N5 O8 Zn -","- C30 H34 N10 O16 Zn2 -","2","1","","Škalamera, Đani; Sanders, Ernest; Vianello, Robert; Maršavelski, Aleksandra; Pevec, Andrej; Turel, Iztok; Kirin, Srećko I","Synthesis and characterization of ML and ML2 metal complexes with amino acid substituted bis(2-picolyl)amine ligands.","Dalton transactions (Cambridge, England : 2003)","2016","45","7","2845","2858","10.1039/c5dt03387j","","","1.54184","CuKα","","0.0792","0.0749","","","0.2338","0.2433","","","","","","1.135","","","","has coordinates","177785","2020-10-21","18:00:00",""
"7037174","13.9549","0.0004","12.219","0.0004","14.951","0.0004","90","","111.883","0.002","90","","2365.68","0.13","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C23 H21 N5 O8 Zn -","- C23 H21 N5 O8 Zn -","- C92 H84 N20 O32 Zn4 -","4","1","","Škalamera, Đani; Sanders, Ernest; Vianello, Robert; Maršavelski, Aleksandra; Pevec, Andrej; Turel, Iztok; Kirin, Srećko I","Synthesis and characterization of ML and ML2 metal complexes with amino acid substituted bis(2-picolyl)amine ligands.","Dalton transactions (Cambridge, England : 2003)","2016","45","7","2845","2858","10.1039/c5dt03387j","","","0.71073","MoKα","","0.1194","0.0587","","","0.1177","0.1446","","","","","","1.015","","","","has coordinates","177785","2020-10-21","18:00:00",""
"7037175","7.3797","0.0002","17.4297","0.0003","8.774","0.0002","90","","110.727","0.003","90","","1055.52","0.05","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C20 H21 N5 O6 Zn -","- C20 H21 N5 O6 Zn -","- C40 H42 N10 O12 Zn2 -","2","1","","Škalamera, Đani; Sanders, Ernest; Vianello, Robert; Maršavelski, Aleksandra; Pevec, Andrej; Turel, Iztok; Kirin, Srećko I","Synthesis and characterization of ML and ML2 metal complexes with amino acid substituted bis(2-picolyl)amine ligands.","Dalton transactions (Cambridge, England : 2003)","2016","45","7","2845","2858","10.1039/c5dt03387j","","","1.54184","CuKα","","0.0549","0.0535","","","0.1449","0.1482","","","","","","1.075","","","","has coordinates","177785","2020-10-21","18:00:00",""
"7037176","9.8292","0.0005","11.9795","0.0008","26.3978","0.0017","90","","90","","90","","3108.3","0.3","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C32 H27 N5 O6 Zn -","- C32 H27 N5 O6 Zn -","- C128 H108 N20 O24 Zn4 -","4","1","","Škalamera, Đani; Sanders, Ernest; Vianello, Robert; Maršavelski, Aleksandra; Pevec, Andrej; Turel, Iztok; Kirin, Srećko I","Synthesis and characterization of ML and ML2 metal complexes with amino acid substituted bis(2-picolyl)amine ligands.","Dalton transactions (Cambridge, England : 2003)","2016","45","7","2845","2858","10.1039/c5dt03387j","","","0.71073","MoKα","","0.097","0.0619","","","0.1562","0.1753","","","","","","1.018","","","","has coordinates","177785","2020-10-21","18:00:00",""
"7037177","19.3596","0.0003","10.174","0.0002","18.4718","0.0003","90","","90","","90","","3638.29","0.11","293","2","293","2","","","","","","","","7","P b c n","-P 2n 2ab","60","","","","- C32 H38 B2 F8 N6 O4 Zn -","- C32 H38 B2 F8 N6 O4 Zn -","- C128 H152 B8 F32 N24 O16 Zn4 -","4","0.5","","Škalamera, Đani; Sanders, Ernest; Vianello, Robert; Maršavelski, Aleksandra; Pevec, Andrej; Turel, Iztok; Kirin, Srećko I","Synthesis and characterization of ML and ML2 metal complexes with amino acid substituted bis(2-picolyl)amine ligands.","Dalton transactions (Cambridge, England : 2003)","2016","45","7","2845","2858","10.1039/c5dt03387j","","","1.54184","CuKα","","0.0403","0.0345","","","0.0948","0.1","","","","","","1.072","","","","has coordinates","177785","2020-10-21","18:00:00",""
"7037178","19.3097","0.0011","10.1965","0.0005","18.4325","0.0011","90","","90","","90","","3629.2","0.3","293","2","293","2","","","","","","","","7","P b c n","-P 2n 2ab","60","","","","- C32 H38 B2 Co F8 N6 O4 -","- C32 H38 B2 Co F8 N6 O4 -","- C128 H152 B8 Co4 F32 N24 O16 -","4","0.5","","Škalamera, Đani; Sanders, Ernest; Vianello, Robert; Maršavelski, Aleksandra; Pevec, Andrej; Turel, Iztok; Kirin, Srećko I","Synthesis and characterization of ML and ML2 metal complexes with amino acid substituted bis(2-picolyl)amine ligands.","Dalton transactions (Cambridge, England : 2003)","2016","45","7","2845","2858","10.1039/c5dt03387j","","","1.54184","CuKα","","0.0642","0.0455","","","0.1121","0.1275","","","","","","1.022","","","","has coordinates","177785","2020-10-21","18:00:00",""
"7037179","19.4164","0.0002","10.3421","0.0001","17.9742","0.0002","90","","90","","90","","3609.33","0.06","293","2","293","2","","","","","","","","7","P b c n","-P 2n 2ab","60","","","","- C32 H38 B2 F8 N6 Ni O4 -","- C32 H38 B2 F8 N6 Ni O4 -","- C128 H152 B8 F32 N24 Ni4 O16 -","4","0.5","","Škalamera, Đani; Sanders, Ernest; Vianello, Robert; Maršavelski, Aleksandra; Pevec, Andrej; Turel, Iztok; Kirin, Srećko I","Synthesis and characterization of ML and ML2 metal complexes with amino acid substituted bis(2-picolyl)amine ligands.","Dalton transactions (Cambridge, England : 2003)","2016","45","7","2845","2858","10.1039/c5dt03387j","","","1.54184","CuKα","","0.041","0.0385","","","0.109","0.1114","","","","","","1.076","","","","has coordinates","177785","2020-10-21","18:00:00",""
"7037185","22.4146","0.0012","7.755","0.0004","15.5401","0.0008","90","","90","","90","","2701.3","0.2","150","2","150","2","","","","","","","","4","P c c n","-P 2ab 2ac","56","","","","- C30 H45 B N2 -","- C30 H45 B N2 -","- C120 H180 B4 N8 -","4","0.5","","Courtemanche, Marc-André; Rochette, Étienne; Légaré, Marc-André; Bi, Wenhua; Fontaine, Frédéric-Georges","Reversible hydrogen activation by a bulky haloborane based FLP system.","Dalton transactions (Cambridge, England : 2003)","2016","45","14","6129","6135","10.1039/c5dt03916a","","","0.71073","MoKα","","0.0626","0.0506","","","0.1251","0.1341","","","","","","1.093","","","","has coordinates","181734","2020-10-21","18:00:00",""
"7037186","18.4751","0.0011","9.3581","0.0005","19.222","0.0011","90","","111.681","0.001","90","","3088.2","0.3","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C30 H46 B Cl N2 -","- C30 H46 B Cl N2 -","- C120 H184 B4 Cl4 N8 -","4","1","","Courtemanche, Marc-André; Rochette, Étienne; Légaré, Marc-André; Bi, Wenhua; Fontaine, Frédéric-Georges","Reversible hydrogen activation by a bulky haloborane based FLP system.","Dalton transactions (Cambridge, England : 2003)","2016","45","14","6129","6135","10.1039/c5dt03916a","","","0.71073","MoKα","","0.053","0.0389","","","0.0925","0.0982","","","","","","1.039","","","","has coordinates","181734","2020-10-21","18:00:00",""
"7037187","23.1183","0.0012","7.8422","0.0004","15.1217","0.0008","90","","90","","90","","2741.5","0.2","150","2","150","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C30 H44 B Cl N2 -","- C30 H44 B Cl N2 -","- C120 H176 B4 Cl4 N8 -","4","0.5","","Courtemanche, Marc-André; Rochette, Étienne; Légaré, Marc-André; Bi, Wenhua; Fontaine, Frédéric-Georges","Reversible hydrogen activation by a bulky haloborane based FLP system.","Dalton transactions (Cambridge, England : 2003)","2016","45","14","6129","6135","10.1039/c5dt03916a","","","0.71073","MoKα","","0.0481","0.0405","","","0.1064","0.1129","","","","","","1.029","","","","has coordinates","181734","2020-10-21","18:00:00",""
"7037218","11.1311","0.0004","19.9977","0.0007","11.6468","0.0004","90","","109.426","0.0011","90","","2444.95","0.15","100","","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C28 H17 O5 P W -","- C28 H17 O5 P W -","- C112 H68 O20 P4 W4 -","4","1","","Rigo, M.; Sklorz, J. A. W.; Hatje, N.; Noack, F.; Weber, M.; Wiecko, J.; Müller, C","2,4,6-Triphenylphosphinine and 2,4,6-triphenylposphabarrelene revisited: synthesis, reactivity and coordination chemistry.","Dalton transactions (Cambridge, England : 2003)","2016","45","5","2218","2226","10.1039/c5dt03609g","","","0.71073","MoKα","","0.0286","0.0207","","","0.0411","0.0439","","","","","","1.055","","","","has coordinates","176071","2020-10-21","18:00:00",""
"7037219","9.8524","0.0002","12.4381","0.0002","18.8967","0.0003","87.7967","0.0007","89.7792","0.0008","75.573","0.0006","2240.98","0.07","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C29 H21 P Se -","- C29 H21 P Se -","- C116 H84 P4 Se4 -","4","2","","Rigo, M.; Sklorz, J. A. W.; Hatje, N.; Noack, F.; Weber, M.; Wiecko, J.; Müller, C","2,4,6-Triphenylphosphinine and 2,4,6-triphenylposphabarrelene revisited: synthesis, reactivity and coordination chemistry.","Dalton transactions (Cambridge, England : 2003)","2016","45","5","2218","2226","10.1039/c5dt03609g","","","0.71073","MoKα","","0.0519","0.0357","","","0.0771","0.0831","","","","","","1.066","","","","has coordinates","176071","2020-10-21","18:00:00",""
"7037220","11.5473","0.0002","12.8913","0.0002","19.8913","0.0003","90","","102.46","","90","","2891.27","0.08","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C34 H21 O5 P W -","- C34 H21 O5 P W -","- C136 H84 O20 P4 W4 -","4","1","","Rigo, M.; Sklorz, J. A. W.; Hatje, N.; Noack, F.; Weber, M.; Wiecko, J.; Müller, C","2,4,6-Triphenylphosphinine and 2,4,6-triphenylposphabarrelene revisited: synthesis, reactivity and coordination chemistry.","Dalton transactions (Cambridge, England : 2003)","2016","45","5","2218","2226","10.1039/c5dt03609g","","","0.71073","MoKα","","0.042","0.0293","","","0.0663","0.0703","","","","","","1.057","","","","has coordinates","176071","2020-10-21","18:00:00",""
"7037221","29.1358","0.0014","11.535","0.0006","15.4712","0.0007","90","","119.742","0.001","90","","4514.6","0.4","100","2","100","","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C54 H40 N2 O4 P2 W -","- C54 H40 N2 O4 P2 W -","- C216 H160 N8 O16 P8 W4 -","4","1","","Rigo, M.; Sklorz, J. A. W.; Hatje, N.; Noack, F.; Weber, M.; Wiecko, J.; Müller, C","2,4,6-Triphenylphosphinine and 2,4,6-triphenylposphabarrelene revisited: synthesis, reactivity and coordination chemistry.","Dalton transactions (Cambridge, England : 2003)","2016","45","5","2218","2226","10.1039/c5dt03609g","","","0.71073","MoKα","","0.0332","0.0293","","","0.0666","0.0679","","","","","","1.017","","","","has coordinates","176071","2020-10-21","18:00:00",""
"7037228","6.8158","0.0016","12.78","0.003","15.038","0.003","90","","92.125","0.014","90","","1309","0.5","100","2","100","2","","","","","","","","7","P 1 n 1","P -2yac","7","dh_152b","Complex 1","","- C20 H34 Cl Co N8 O7 S -","- C20 H34 Cl Co N8 O7 S -","- C40 H68 Cl2 Co2 N16 O14 S2 -","2","1","","Henckel, Danielle A.; Lin, Yuting F.; McCormick, Theresa M.; Kaminsky, Werner; Cossairt, Brandi M.","A doubly deprotonated diimine dioximate metalloligand as a synthon for multimetallic complex assembly.","Dalton transactions (Cambridge, England : 2003)","2016","45","24","10068","10075","10.1039/c5dt03650j","","","0.71073","MoKα","","0.0762","0.0434","","","0.0611","0.0691","","","","","","1.007","","","","has coordinates","185385","2020-10-21","18:00:00",""
"7037229","17.567","0.003","10.0243","0.0016","15.749","0.003","90","","102.334","0.009","90","","2709.3","0.8","100","2","100","2","","","","","","","","8","P 1 c 1","P -2yc","7","dh_160","Complex 2","","- C18 H28 Br2 Cl Co N8 O6 Zn -","- C18 H28 Br2 Cl Co N8 O6 Zn -","- C72 H112 Br8 Cl4 Co4 N32 O24 Zn4 -","4","2","","Henckel, Danielle A.; Lin, Yuting F.; McCormick, Theresa M.; Kaminsky, Werner; Cossairt, Brandi M.","A doubly deprotonated diimine dioximate metalloligand as a synthon for multimetallic complex assembly.","Dalton transactions (Cambridge, England : 2003)","2016","45","24","10068","10075","10.1039/c5dt03650j","","","0.71073","MoKα","","0.0468","0.0337","","","0.0621","0.0666","","","","","","1.013","","","","has coordinates,has disorder","185385","2020-10-21","18:00:00",""
"7037230","40.556","0.005","40.556","0.005","12.276","0.005","90","0.005","90","0.005","90","0.005","20191","9","100","2","100","2","","","","","","","","8","I 41/a :2","-I 4ad","88","dh2_135c","dh2_135c","","- C616 H716 Co16 F288 N196 O32 P48 Ru16 -","- C616 H716 Co16 F288 N196 O32 P48 Ru16 -","- C616 H716 Co16 F288 N196 O32 P48 Ru16 -","1","0.0625","","Henckel, Danielle A.; Lin, Yuting F.; McCormick, Theresa M.; Kaminsky, Werner; Cossairt, Brandi M.","A doubly deprotonated diimine dioximate metalloligand as a synthon for multimetallic complex assembly.","Dalton transactions (Cambridge, England : 2003)","2016","45","24","10068","10075","10.1039/c5dt03650j","","","0.71073","MoKα","","0.27","0.0861","","","0.1621","0.2331","","","","","","0.991","","","","has coordinates,has disorder","185385","2020-10-21","18:00:00",""
"7037231","14.714","0.002","11.427","0.0018","15.237","0.003","90","","92.61","0.011","90","","2559.2","0.7","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","dh2_48","Complex 1-H+","","- C18 H29 Cl2 Co N8 O10 -","- C18 H29 Cl2 Co N8 O10 -","- C72 H116 Cl8 Co4 N32 O40 -","4","1","","Henckel, Danielle A.; Lin, Yuting F.; McCormick, Theresa M.; Kaminsky, Werner; Cossairt, Brandi M.","A doubly deprotonated diimine dioximate metalloligand as a synthon for multimetallic complex assembly.","Dalton transactions (Cambridge, England : 2003)","2016","45","24","10068","10075","10.1039/c5dt03650j","","","0.71073","MoKα","","0.1723","0.1287","","","0.312","0.3501","","","","","","1.094","","","","has coordinates,has disorder","185385","2020-10-21","18:00:00",""
"7037232","8.6942","0.0009","22.063","0.002","14.9541","0.0015","90","","90","","90","","2868.5","0.5","100","2","100","2","","","","","","","","8","P b c n","-P 2n 2ab","60","dh2_73","[(DO)2en(ImMe)2CoNa][PF6]2","","- C18 H28 Co F12 N8 Na O2 P2 -","- C18 H28 Co F12 N8 Na O2 P2 -","- C72 H112 Co4 F48 N32 Na4 O8 P8 -","4","0.5","","Henckel, Danielle A.; Lin, Yuting F.; McCormick, Theresa M.; Kaminsky, Werner; Cossairt, Brandi M.","A doubly deprotonated diimine dioximate metalloligand as a synthon for multimetallic complex assembly.","Dalton transactions (Cambridge, England : 2003)","2016","45","24","10068","10075","10.1039/c5dt03650j","","","0.71073","MoKα","","0.0859","0.0692","","","0.1719","0.1849","","","","","","1.129","","","","has coordinates","185385","2020-10-21","18:00:00",""
"7037233","13.3205","0.0016","15.0242","0.0018","17.218","0.002","70.715","0.006","76.405","0.007","67.308","0.006","2977.7","0.6","100","2","100","2","","","","","","","","7","P -1","-P 1","2","DH_197","[((DO)2en(ImMe)2Co)2Zn(HOMe)][ClO4]4","","- C37 H62 Cl4 Co2 N16 O22 Zn -","- C37 H62 Cl4 Co2 N16 O22 Zn -","- C74 H124 Cl8 Co4 N32 O44 Zn2 -","2","1","","Henckel, Danielle A.; Lin, Yuting F.; McCormick, Theresa M.; Kaminsky, Werner; Cossairt, Brandi M.","A doubly deprotonated diimine dioximate metalloligand as a synthon for multimetallic complex assembly.","Dalton transactions (Cambridge, England : 2003)","2016","45","24","10068","10075","10.1039/c5dt03650j","","","0.71073","MoKα","","0.0649","0.0473","","","0.1069","0.1138","","","","","","1.041","","","","has coordinates,has disorder","185385","2020-10-21","18:00:00",""
"7037234","28.81","0.003","28.81","0.003","16.9308","0.0019","90","","90","","120","","12170","2","100","2","100","2","","","","","","","","7","R -3 c :H","-R 3 2""c","167","dh_183","Complex 3-Mn","","- C54 H96 Cl5 Co3 Mn N24 O32 -","- C54 H96 Cl4.99836 Co3 Mn N24 O31.9934 -","- C324 H576 Cl29.9902 Co18 Mn6 N144 O191.961 -","6","0.166667","","Henckel, Danielle A.; Lin, Yuting F.; McCormick, Theresa M.; Kaminsky, Werner; Cossairt, Brandi M.","A doubly deprotonated diimine dioximate metalloligand as a synthon for multimetallic complex assembly.","Dalton transactions (Cambridge, England : 2003)","2016","45","24","10068","10075","10.1039/c5dt03650j","","","0.71073","MoKα","","0.0851","0.0529","","","0.1252","0.1417","","","","","","1.065","","","","has coordinates,has disorder","185385","2020-10-21","18:00:00",""
"7037235","28.981","0.003","28.981","0.003","16.838","0.004","90","","90","","120","","12248","3","100","2","100","2","","","","","","","","7","R -3 c :H","-R 3 2""c","167","dh_184","Complex 3-Cd","","- C54 H96 Cd Cl5 Co3 N24 O32 -","- C54 H96 Cd Cl5.0004 Co3 N24 O32.0016 -","- C324 H576 Cd6 Cl30.0024 Co18 N144 O192.01 -","6","0.166667","","Henckel, Danielle A.; Lin, Yuting F.; McCormick, Theresa M.; Kaminsky, Werner; Cossairt, Brandi M.","A doubly deprotonated diimine dioximate metalloligand as a synthon for multimetallic complex assembly.","Dalton transactions (Cambridge, England : 2003)","2016","45","24","10068","10075","10.1039/c5dt03650j","","","0.71073","MoKα","","0.1306","0.0789","","","0.1311","0.1474","","","","","","1.19","","","","has coordinates,has disorder","185385","2020-10-21","18:00:00",""
"7037236","28.732","0.003","28.732","0.003","17.5558","0.0016","90","","90","","120","","12551","2","292","2","292","2","","","","","","","","7","R -3 c :H","-R 3 2""c","167","dh_177","complex 3-Zn","","- C54 H96 Cl5 Co3 N24 O32 Zn -","- C54 H96 Cl5.0004 Co3 N24 O32.0016 Zn -","- C324 H576 Cl30.0024 Co18 N144 O192.01 Zn6 -","6","0.166667","","Henckel, Danielle A.; Lin, Yuting F.; McCormick, Theresa M.; Kaminsky, Werner; Cossairt, Brandi M.","A doubly deprotonated diimine dioximate metalloligand as a synthon for multimetallic complex assembly.","Dalton transactions (Cambridge, England : 2003)","2016","45","24","10068","10075","10.1039/c5dt03650j","","","0.71073","MoKα","","0.0847","0.0442","","","0.1081","0.1394","","","","","","1.054","","","","has coordinates,has disorder","185385","2020-10-21","18:00:00",""
"7037237","11.8905","0.0014","12.456","0.0016","13.6113","0.0017","72.344","0.005","66.193","0.004","73.679","0.004","1728.2","0.4","100","2","100","2","","","","","","","","7","P 1","P 1","1","dh3_29","[(DO)2en(ImMe)2CoNa-15crown5][BPh4]2","","- C76 H88 B2 Co N8 Na O7 -","- C76 H88 B2 Co N8 Na O7 -","- C76 H88 B2 Co N8 Na O7 -","1","1","","Henckel, Danielle A.; Lin, Yuting F.; McCormick, Theresa M.; Kaminsky, Werner; Cossairt, Brandi M.","A doubly deprotonated diimine dioximate metalloligand as a synthon for multimetallic complex assembly.","Dalton transactions (Cambridge, England : 2003)","2016","45","24","10068","10075","10.1039/c5dt03650j","","","0.71073","MoKα","","0.1308","0.0677","","","0.1102","0.1303","","","","","","0.994","","","","has coordinates","185385","2020-10-21","18:00:00",""
"7037244","14.582","0.005","10.542","0.003","13.03","0.004","90","","98.64","0.03","90","","1980.3","1.1","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C44 H62 N2 O2 Zn2 -","- C44 H62 N2 O2 Zn2 -","- C88 H124 N4 O4 Zn4 -","2","0.5","","Jędrzkiewicz, D; Ejfler, J.; John, Ł; Szafert, S.","Zebra reaction or the recipe for the synthesis of heterodimeric zinc complexes.","Dalton transactions (Cambridge, England : 2003)","2016","45","7","2829","2838","10.1039/c5dt03883a","","","0.71073","MoKα","","0.0386","0.0341","","","0.1003","0.102","","","","","","1.107","","","","has coordinates","177775","2020-10-21","18:00:00",""
"7037245","7.031","0.002","10.364","0.003","15.232","0.005","70.75","0.03","82.43","0.02","82.66","0.03","1034.5","0.6","100","2","100","2","","","","","","","","5","P 1","P 1","1","","","","- C44 H62 N2 O2 Zn2 -","- C44 H62 N2 O2 Zn2 -","- C44 H62 N2 O2 Zn2 -","1","1","","Jędrzkiewicz, D; Ejfler, J.; John, Ł; Szafert, S.","Zebra reaction or the recipe for the synthesis of heterodimeric zinc complexes.","Dalton transactions (Cambridge, England : 2003)","2016","45","7","2829","2838","10.1039/c5dt03883a","","","0.71073","MoKα","","0.049","0.0448","","","0.124","0.1264","","","","","","1.098","","","","has coordinates,has disorder","177775","2020-10-21","18:00:00",""
"7037246","7.03","0.002","10.327","0.003","15.279","0.006","70.36","0.02","82.48","0.03","82.65","0.03","1031.5","0.6","129","2","129","2","","","","","","","","5","P 1","P 1","1","","","","- C44 H62 N2 O2 Zn2 -","- C44 H62 N2 O2 Zn2 -","- C44 H62 N2 O2 Zn2 -","1","1","","Jędrzkiewicz, D; Ejfler, J.; John, Ł; Szafert, S.","Zebra reaction or the recipe for the synthesis of heterodimeric zinc complexes.","Dalton transactions (Cambridge, England : 2003)","2016","45","7","2829","2838","10.1039/c5dt03883a","","","0.71073","MoKα","","0.0306","0.0267","","","0.0599","0.0621","","","","","","0.996","","","","has coordinates,has disorder","177775","2020-10-21","18:00:00",""
"7037247","13.914","0.004","10.463","0.003","14.174","0.005","90","","102.27","0.03","90","","2016.3","1.1","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C42 H64 N2 O2 Zn2 -","- C42 H64 N2 O2 Zn2 -","- C84 H128 N4 O4 Zn4 -","2","1","","Jędrzkiewicz, D; Ejfler, J.; John, Ł; Szafert, S.","Zebra reaction or the recipe for the synthesis of heterodimeric zinc complexes.","Dalton transactions (Cambridge, England : 2003)","2016","45","7","2829","2838","10.1039/c5dt03883a","","","1.54184","CuKα","","0.0525","0.0511","","","0.1406","0.15","","","","","","1.207","","","","has coordinates,has disorder","177775","2020-10-21","18:00:00",""
"7037248","9.024","0.003","9.93","0.003","12.671","0.004","78.01","0.03","86.5","0.03","72.57","0.02","1059.7","0.6","180","2","180","2","","","","","","","","6","P 1","P 1","1","","","","- C43 H56 D6 N2 O2 Zn2 -","- C43 H56 D6 N2 O2 Zn2 -","- C43 H56 D6 N2 O2 Zn2 -","1","1","","Jędrzkiewicz, D; Ejfler, J.; John, Ł; Szafert, S.","Zebra reaction or the recipe for the synthesis of heterodimeric zinc complexes.","Dalton transactions (Cambridge, England : 2003)","2016","45","7","2829","2838","10.1039/c5dt03883a","","","0.71073","MoKα","","0.0577","0.048","","","0.1261","0.1306","","","","","","0.996","","","","has coordinates,has disorder","177775","2020-10-21","18:00:00",""
"7037253","11.256","0.0004","12.5872","0.0005","13.6116","0.0005","91.372","0.002","92.041","0.002","109.371","0.002","1816.88","0.12","120","2","120","2","","","","","","","","3","P -1","-P 1","2","","[Al(C6F5)3]2","","- C36 Al2 F30 -","- C36 Al2 F30 -","- C72 Al4 F60 -","2","1","","Chen, Jiawei; Chen, Eugene Y.-X.","Unsolvated Al(C6F5)3: structural features and electronic interaction with ferrocene.","Dalton transactions (Cambridge, England : 2003)","2016","45","14","6105","6110","10.1039/c5dt03895b","","","0.71073","MoKα","","0.1133","0.0573","","","0.1394","0.1743","","","","","","1.012","","","","has coordinates,has disorder","181723","2020-10-21","18:00:00",""
"7037254","10.5849","0.0005","19.2778","0.0009","12.6011","0.0006","90","","97.4","0.003","90","","2549.9","0.2","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Cp2Fe-Al(C6F5)3","","- C28 H10 Al F15 Fe -","- C28 H10 Al F15 Fe -","- C112 H40 Al4 F60 Fe4 -","4","1","","Chen, Jiawei; Chen, Eugene Y.-X.","Unsolvated Al(C6F5)3: structural features and electronic interaction with ferrocene.","Dalton transactions (Cambridge, England : 2003)","2016","45","14","6105","6110","10.1039/c5dt03895b","","","1.54178","CuKα","","0.0247","0.0233","","","0.0596","0.0605","","","","","","1.007","","","","has coordinates","181723","2020-10-21","18:00:00",""
"7037255","9.0224","0.0008","9.4377","0.0008","9.4869","0.0008","66.615","0.001","77.012","0.001","64.39","0.001","667.24","0.1","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","[?u2(?-I)(?4-I)(?-P,N-(1-(pyridyl-2-yl)phospholane)]2","","- C18 H24 Cu4 I4 N2 P2 -","- C18 H24 Cu4 I4 N2 P2 -","- C18 H24 Cu4 I4 N2 P2 -","1","0.5","","Musina, E. I.; Shamsieva, A. V.; Strelnik, I. D.; Gerasimova, T. P.; Krivolapov, D. B.; Kolesnikov, I. E.; Grachova, E. V.; Tunik, S. P.; Bannwarth, C.; Grimme, S.; Katsyuba, S. A.; Karasik, A. A.; Sinyashin, O. G.","Synthesis of novel pyridyl containing phospholanes and their polynuclear luminescent copper(i) complexes.","Dalton transactions (Cambridge, England : 2003)","2016","45","5","2250","2260","10.1039/c5dt03346b","","x-ray","0.71073","MoKα","","0.0246","0.0225","","","0.0919","0.0949","","","","","","0.813","","","","has coordinates","176082","2020-10-21","18:00:00",""
"7037256","11.951","0.004","18.183","0.007","15.128","0.005","90","","102.604","0.004","90","","3208","2","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","?-Diiodo-?-P,N-(1-(pyridyl-2-yl)phospholane)-bis(?-P-(1-(pyridyl-2-yl)phospholane)dicopper(I)","","- C27 H36 Cu2 I2 N3 P3 -","- C27 H36 Cu2 I2 N3 P3 -","- C108 H144 Cu8 I8 N12 P12 -","4","1","","Musina, E. I.; Shamsieva, A. V.; Strelnik, I. D.; Gerasimova, T. P.; Krivolapov, D. B.; Kolesnikov, I. E.; Grachova, E. V.; Tunik, S. P.; Bannwarth, C.; Grimme, S.; Katsyuba, S. A.; Karasik, A. A.; Sinyashin, O. G.","Synthesis of novel pyridyl containing phospholanes and their polynuclear luminescent copper(i) complexes.","Dalton transactions (Cambridge, England : 2003)","2016","45","5","2250","2260","10.1039/c5dt03346b","","x-ray","0.71073","MoKα","","0.0798","0.057","","","0.1393","0.1601","","","","","","1.016","","","","has coordinates,has disorder","176082","2020-10-21","18:00:00",""
"7037257","9.662","0.005","17.858","0.008","9.108","0.005","90","","105.994","0.009","90","","1510.7","1.3","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C20 H28 Cu4 I4 N2 P2 -","- C20 H28 Cu4 I4 N2 P2 -","- C40 H56 Cu8 I8 N4 P4 -","2","0.5","","Musina, E. I.; Shamsieva, A. V.; Strelnik, I. D.; Gerasimova, T. P.; Krivolapov, D. B.; Kolesnikov, I. E.; Grachova, E. V.; Tunik, S. P.; Bannwarth, C.; Grimme, S.; Katsyuba, S. A.; Karasik, A. A.; Sinyashin, O. G.","Synthesis of novel pyridyl containing phospholanes and their polynuclear luminescent copper(i) complexes.","Dalton transactions (Cambridge, England : 2003)","2016","45","5","2250","2260","10.1039/c5dt03346b","","","0.71073","MoKα","","0.2538","0.1363","","","0.3513","0.4329","","","","","","1.167","","","","has coordinates,has disorder","176082","2020-10-21","18:00:00",""
"7037261","10.089","0.006","9.896","0.005","21.005","0.013","90","","97.91","0.05","90","","2077","2","90","","90","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","mesitylpyridinediyl bisnitroxide","MesPyBN","","- C22 H31 N3 O2 -","- C22 H31 N3 O2 -","- C88 H124 N12 O8 -","4","1","","Kawakami, Hinako; Tonegawa, Asato; Ishida, Takayuki","A designed room-temperature triplet ligand from pyridine-2,6-diyl bis(tert-butyl nitroxide).","Dalton transactions (Cambridge, England : 2003)","2016","45","4","1306","1309","10.1039/c5dt04218f","","","0.71073","MoKα","","","0.051","","","","0.0483","","","","","","0.948","","","","has coordinates","176032","2020-10-21","18:00:00",""
"7037262","11.7495","0.0009","29.1245","0.0018","12.9481","0.001","90","","91.279","0.005","90","","4429.7","0.6","100","","100","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","mesitylpyridinediyl bisnitroxide yttrium complex","Y-MesPyBN","","- C37 H34 F18 N3 O8 Y -","- C37 H34 F18 N3 O8 Y -","- C148 H136 F72 N12 O32 Y4 -","4","1","","Kawakami, Hinako; Tonegawa, Asato; Ishida, Takayuki","A designed room-temperature triplet ligand from pyridine-2,6-diyl bis(tert-butyl nitroxide).","Dalton transactions (Cambridge, England : 2003)","2016","45","4","1306","1309","10.1039/c5dt04218f","","","0.71073","MoKα","","","0.0515","","","","0.0629","","","","","","1.063","","","","has coordinates","176032","2020-10-21","18:00:00",""
"7037263","8.4929","0.0004","9.6479","0.0003","13.1996","0.0006","90","","90.066","0.004","90","","1081.56","0.08","100","","100","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- Hg K4 O Se3 -","- Hg K4 O Se3 -","- Hg4 K16 O4 Se12 -","4","2","","Thiele, G.; Donsbach, C.; Riedel, R.; Marsch, M.; Harms, K.; Dehnen, S.","Smallest molecular chalcogenidometalate anions of the heaviest metals: syntheses, structures, and their interconversion.","Dalton transactions (Cambridge, England : 2003)","2016","45","14","5958","5967","10.1039/c5dt03996g","","x-ray","0.71073","MoKα","","0.0545","0.0498","","","0.1156","0.1174","","","","","","1.006","","","","has coordinates","181743","2020-10-21","18:00:00",""
"7037264","9.0201","0.0004","10.1697","0.0004","14.0216","0.0007","90","","90","","90","","1286.23","0.1","100","","100","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- Hg K4 O Te3 -","- Hg K4 O Te3 -","- Hg4 K16 O4 Te12 -","4","1","","Thiele, G.; Donsbach, C.; Riedel, R.; Marsch, M.; Harms, K.; Dehnen, S.","Smallest molecular chalcogenidometalate anions of the heaviest metals: syntheses, structures, and their interconversion.","Dalton transactions (Cambridge, England : 2003)","2016","45","14","5958","5967","10.1039/c5dt03996g","","x-ray","0.71073","MoKα","","0.0238","0.022","","","0.0475","0.048","","","","","","1.055","","","","has coordinates","181743","2020-10-21","18:00:00",""
"7037265","14.4612","0.0011","11.0898","0.0011","9.9243","0.0008","90","","93.367","0.01","90","","1588.8","0.2","100","","100","","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- C3 Hg2 K10 Na2 O6 Te6 -","- C3 Hg2 K10 Na2 O6 Te6 -","- C6 Hg4 K20 Na4 O12 Te12 -","2","0.25","","Thiele, G.; Donsbach, C.; Riedel, R.; Marsch, M.; Harms, K.; Dehnen, S.","Smallest molecular chalcogenidometalate anions of the heaviest metals: syntheses, structures, and their interconversion.","Dalton transactions (Cambridge, England : 2003)","2016","45","14","5958","5967","10.1039/c5dt03996g","","x-ray","0.71073","MoKα","","0.0232","0.0215","","","0.049","0.0496","","","","","","1.081","","","","has coordinates","181743","2020-10-21","18:00:00",""
"7037266","12.0228","0.0007","7.7956","0.0005","7.4526","0.0004","90","","92.853","0.004","90","","697.63","0.07","100","","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- Hg K2 O Se2 -","- Hg K2 O Se2 -","- Hg4 K8 O4 Se8 -","4","1","","Thiele, G.; Donsbach, C.; Riedel, R.; Marsch, M.; Harms, K.; Dehnen, S.","Smallest molecular chalcogenidometalate anions of the heaviest metals: syntheses, structures, and their interconversion.","Dalton transactions (Cambridge, England : 2003)","2016","45","14","5958","5967","10.1039/c5dt03996g","","x-ray","0.71073","MoKα","","0.0487","0.0429","","","0.1051","0.1084","","","","","","1.05","","","","has coordinates","181743","2020-10-21","18:00:00",""
"7037267","7.6343","0.0009","8.3256","0.001","8.4777","0.001","94.535","0.01","103.25","0.009","108.831","0.009","489.53","0.11","100","","100","","","","","","","","","4","P -1","-P 1","2","","","","- K6 O2 Se6 Tl2 -","- K6 O2 Se6 Tl2 -","- K6 O2 Se6 Tl2 -","1","0.5","","Thiele, G.; Donsbach, C.; Riedel, R.; Marsch, M.; Harms, K.; Dehnen, S.","Smallest molecular chalcogenidometalate anions of the heaviest metals: syntheses, structures, and their interconversion.","Dalton transactions (Cambridge, England : 2003)","2016","45","14","5958","5967","10.1039/c5dt03996g","","x-ray","0.71073","MoKα","","0.0658","0.06","","","0.1543","0.1603","","","","","","1.034","","","","has coordinates","181743","2020-10-21","18:00:00",""
"7037268","7.2063","0.0007","8.6457","0.0008","10.6249","0.001","70.12","0.007","88.516","0.008","79.234","0.008","611.06","0.11","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C2 K10 O6 Se6 Tl2 -","- C2 K10 O6 Se6 Tl2 -","- C2 K10 O6 Se6 Tl2 -","1","0.5","","Thiele, G.; Donsbach, C.; Riedel, R.; Marsch, M.; Harms, K.; Dehnen, S.","Smallest molecular chalcogenidometalate anions of the heaviest metals: syntheses, structures, and their interconversion.","Dalton transactions (Cambridge, England : 2003)","2016","45","14","5958","5967","10.1039/c5dt03996g","","x-ray","0.71073","MoKα","","0.0676","0.0658","","","0.1745","0.1773","","","","","","1.094","","","","has coordinates","181743","2020-10-21","18:00:00",""
"7037269","8.0075","0.0012","8.0075","0.0012","7.0104","0.0009","90","","90","","90","","449.51","0.11","100","","100","","","","","","","","","3","I 4/m c m","-I 4 2c","140","","","","- K0.94 Se2 Tl1.06 -","- K0.944 Se2 Tl1.056 -","- K3.776 Se8 Tl4.224 -","4","0.125","","Thiele, G.; Donsbach, C.; Riedel, R.; Marsch, M.; Harms, K.; Dehnen, S.","Smallest molecular chalcogenidometalate anions of the heaviest metals: syntheses, structures, and their interconversion.","Dalton transactions (Cambridge, England : 2003)","2016","45","14","5958","5967","10.1039/c5dt03996g","","x-ray","0.71073","MoKα","","0.0275","0.0272","","","0.0565","0.0567","","","","","","1.232","","","","has coordinates","181743","2020-10-21","18:00:00",""
"7037270","16.9135","0.0016","16.9135","0.0016","39.226","0.006","90","","90","","120","","9718","2","293","","293","","","","","","","","","4","R -3 c","-R 3 2""c","167","","","","- K21 O16 Te12 Tl3 -","- K21 O16 Te12 Tl3 -","- K126 O96 Te72 Tl18 -","6","","","Thiele, G.; Donsbach, C.; Riedel, R.; Marsch, M.; Harms, K.; Dehnen, S.","Smallest molecular chalcogenidometalate anions of the heaviest metals: syntheses, structures, and their interconversion.","Dalton transactions (Cambridge, England : 2003)","2016","45","14","5958","5967","10.1039/c5dt03996g","","x-ray","0.71073","MoKα","","0.0855","0.0583","","","0.134","0.1449","","","","","","0.892","","","","has coordinates","181743","2020-10-21","18:00:00",""
"7037271","8.0377","0.0005","8.1958","0.0005","12.6944","0.0007","92.602","0.002","102.77","0.002","93.193","0.002","812.87","0.08","100","","100","","","","","","","","","7","P -1","-P 1","2","","","","- C2 H10 K4 N2 O Pb Se4 -","- C2 H10 K4 N2 O Pb Se4 -","- C4 H20 K8 N4 O2 Pb2 Se8 -","2","1","","Thiele, G.; Donsbach, C.; Riedel, R.; Marsch, M.; Harms, K.; Dehnen, S.","Smallest molecular chalcogenidometalate anions of the heaviest metals: syntheses, structures, and their interconversion.","Dalton transactions (Cambridge, England : 2003)","2016","45","14","5958","5967","10.1039/c5dt03996g","","x-ray","0.71073","MoKα","","0.0198","0.0181","","","0.0402","0.0406","","","","","","1.133","","","","has coordinates","181743","2020-10-21","18:00:00",""
"7037272","9.7193","0.0003","9.7193","0.0003","9.7193","0.0003","90","","90","","90","","918.13","0.05","100","","100","","","","","","","","","3","P 21 3","P 2ac 2ab 3","198","","","","- Bi K3 Se3 -","- Bi K3 Se3 -","- Bi4 K12 Se12 -","4","0.333333","","Thiele, G.; Donsbach, C.; Riedel, R.; Marsch, M.; Harms, K.; Dehnen, S.","Smallest molecular chalcogenidometalate anions of the heaviest metals: syntheses, structures, and their interconversion.","Dalton transactions (Cambridge, England : 2003)","2016","45","14","5958","5967","10.1039/c5dt03996g","","x-ray","0.71073","MoKα","","0.0293","0.0231","","","0.039","0.0403","","","","","","0.925","","","","has coordinates","181743","2020-10-21","18:00:00",""
"7037273","9.9651","0.0008","10.4007","0.0008","13.624","0.0011","85.831","0.004","70.46","0.004","72.262","0.004","1266.79","0.18","100","0.2","100","0.2","","","","","","","","4","P -1","-P 1","2","","","","- C14 H34 B20 Ru -","- C14 H34 B20 Ru -","- C28 H68 B40 Ru2 -","2","1","","Riley, Laura E.; Chan, Antony P. Y.; Taylor, James; Man, Wing Y.; Ellis, David; Rosair, Georgina M.; Welch, Alan J.; Sivaev, Igor B.","Unprecedented flexibility of the 1,1'-bis(o-carborane) ligand: catalytically-active species stabilised by B-agostic B-H⇀Ru interactions.","Dalton transactions (Cambridge, England : 2003)","2016","45","3","1127","1137","10.1039/c5dt03417e","","","0.71073","MoKα","","0.0374","0.0338","","","0.072","0.0736","","","","","","1.085","","","","has coordinates","176046","2020-10-21","18:00:00",""
"7037274","17.7285","0.001","15.1002","0.0008","9.8309","0.0005","90","","90","","90","","2631.8","0.2","100","","100","","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C15 H34 B20 O Ru -","- C15 H34 B20 O Ru -","- C60 H136 B80 O4 Ru4 -","4","1","","Riley, Laura E.; Chan, Antony P. Y.; Taylor, James; Man, Wing Y.; Ellis, David; Rosair, Georgina M.; Welch, Alan J.; Sivaev, Igor B.","Unprecedented flexibility of the 1,1'-bis(o-carborane) ligand: catalytically-active species stabilised by B-agostic B-H⇀Ru interactions.","Dalton transactions (Cambridge, England : 2003)","2016","45","3","1127","1137","10.1039/c5dt03417e","","","0.71073","MoKα","","0.0325","0.025","","","0.0513","0.0535","","","","","","1.014","","","","has coordinates","176046","2020-10-21","18:00:00",""
"7037275","11.2062","0.0009","11.5418","0.001","17.9159","0.0017","81.178","0.005","80.736","0.005","85.546","0.005","2256.6","0.3","100","2","100","0.2","","","","","","","","5","P -1","-P 1","2","","","","- C40 H50 B20 P2 Ru -","- C40 H49.9955 B20 P2 Ru -","- C80 H99.991 B40 P4 Ru2 -","2","1","","Riley, Laura E.; Chan, Antony P. Y.; Taylor, James; Man, Wing Y.; Ellis, David; Rosair, Georgina M.; Welch, Alan J.; Sivaev, Igor B.","Unprecedented flexibility of the 1,1'-bis(o-carborane) ligand: catalytically-active species stabilised by B-agostic B-H⇀Ru interactions.","Dalton transactions (Cambridge, England : 2003)","2016","45","3","1127","1137","10.1039/c5dt03417e","","","0.71073","MoKα","","0.1099","0.0927","","","0.1532","0.1597","","","","","","1.229","","","","has coordinates,has disorder","176046","2020-10-21","18:00:00",""
"7037276","10.774","0.002","14.223","0.003","14.245","0.003","63.017","0.011","79.932","0.01","80.026","0.01","1904.3","0.7","100","2","100.15","","","","","","","","","7","P -1","-P 1","2","","","","- C26 H37 B20 Cl2 O3 P Ru -","- C26 H37 B20 Cl2 O3 P Ru -","- C52 H74 B40 Cl4 O6 P2 Ru2 -","2","1","","Riley, Laura E.; Chan, Antony P. Y.; Taylor, James; Man, Wing Y.; Ellis, David; Rosair, Georgina M.; Welch, Alan J.; Sivaev, Igor B.","Unprecedented flexibility of the 1,1'-bis(o-carborane) ligand: catalytically-active species stabilised by B-agostic B-H⇀Ru interactions.","Dalton transactions (Cambridge, England : 2003)","2016","45","3","1127","1137","10.1039/c5dt03417e","","","0.71073","MoKα","","0.0706","0.0427","","","0.0825","0.092","","","","","","1.052","","","","has coordinates,has disorder","176046","2020-10-21","18:00:00",""
"7037277","10.4838","0.0014","10.6487","0.0016","18.114","0.003","87.152","0.008","75.088","0.007","82.148","0.007","1935.6","0.5","100","2","100","","","","","","","","","6","P -1","-P 1","2","","","","- C28 H44 B20 N3 P Ru -","- C28 H44 B20 N3 P Ru -","- C56 H88 B40 N6 P2 Ru2 -","2","1","","Riley, Laura E.; Chan, Antony P. Y.; Taylor, James; Man, Wing Y.; Ellis, David; Rosair, Georgina M.; Welch, Alan J.; Sivaev, Igor B.","Unprecedented flexibility of the 1,1'-bis(o-carborane) ligand: catalytically-active species stabilised by B-agostic B-H⇀Ru interactions.","Dalton transactions (Cambridge, England : 2003)","2016","45","3","1127","1137","10.1039/c5dt03417e","","","0.71073","MoKα","","0.0478","0.0368","","","0.074","0.0781","","","","","","1.022","","","","has coordinates","176046","2020-10-21","18:00:00",""
"7037278","11.704","0.003","12.184","0.003","16.339","0.004","104.475","0.007","106.328","0.006","98.443","0.007","2105.1","0.9","100","0.2","100","0.2","","","","","","","","6","P -1","-P 1","2","","","","- C32 H44 B20 O2 P2 Ru -","- C32 H44 B20 O2 P2 Ru -","- C64 H88 B40 O4 P4 Ru2 -","2","1","","Riley, Laura E.; Chan, Antony P. Y.; Taylor, James; Man, Wing Y.; Ellis, David; Rosair, Georgina M.; Welch, Alan J.; Sivaev, Igor B.","Unprecedented flexibility of the 1,1'-bis(o-carborane) ligand: catalytically-active species stabilised by B-agostic B-H⇀Ru interactions.","Dalton transactions (Cambridge, England : 2003)","2016","45","3","1127","1137","10.1039/c5dt03417e","","","0.71073","MoKα","","0.0492","0.0346","","","0.077","0.083","","","","","","1.031","","","","has coordinates","176046","2020-10-21","18:00:00",""
"7037279","21.553","0.0009","19.6096","0.0008","23.5945","0.001","90","","94.465","0.002","90","","9941.8","0.7","100","2","100","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C40 H59 B20 N5 P2 Ru -","- C40 H59 B20 N5 P2 Ru -","- C320 H472 B160 N40 P16 Ru8 -","8","1","","Riley, Laura E.; Chan, Antony P. Y.; Taylor, James; Man, Wing Y.; Ellis, David; Rosair, Georgina M.; Welch, Alan J.; Sivaev, Igor B.","Unprecedented flexibility of the 1,1'-bis(o-carborane) ligand: catalytically-active species stabilised by B-agostic B-H⇀Ru interactions.","Dalton transactions (Cambridge, England : 2003)","2016","45","3","1127","1137","10.1039/c5dt03417e","","","0.71073","MoKα","","0.0519","0.0351","","","0.0917","0.1023","","","","","","1.057","","","","has coordinates,has disorder","176046","2020-10-21","18:00:00",""
"7037280","10.6782","0.0014","12.1648","0.0017","17.624","0.002","79.065","0.007","74.204","0.007","71.267","0.007","2073","0.5","100","0.2","100","0.2","","","","","","","","6","P -1","-P 1","2","","","","- C31 H46 B20 Cl2 P2 Ru -","- C31 H46 B20 Cl2 P2 Ru -","- C62 H92 B40 Cl4 P4 Ru2 -","2","1","","Riley, Laura E.; Chan, Antony P. Y.; Taylor, James; Man, Wing Y.; Ellis, David; Rosair, Georgina M.; Welch, Alan J.; Sivaev, Igor B.","Unprecedented flexibility of the 1,1'-bis(o-carborane) ligand: catalytically-active species stabilised by B-agostic B-H⇀Ru interactions.","Dalton transactions (Cambridge, England : 2003)","2016","45","3","1127","1137","10.1039/c5dt03417e","","","0.71073","MoKα","","0.0554","0.0382","","","0.0771","0.0835","","","","","","1.059","","","","has coordinates","176046","2020-10-21","18:00:00",""
"7037305","12.974","0.0003","19.6759","0.0004","37.5348","0.0008","90","","97.509","0.002","90","","9499.5","0.4","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C180 H313 N19 Ni4 O32 -","- C180 H313 N19 Ni4 O32 -","- C360 H626 N38 Ni8 O64 -","2","0.5","","Rühlig, Karoline; Mothes, Robert; Aliabadi, Azar; Kataev, Vladislav; Büchner, Bernd; Buschbeck, Roy; Rüffer, Tobias; Lang, Heinrich","Cu(II) bis(oxamato) end-grafted poly(amidoamine) dendrimers.","Dalton transactions (Cambridge, England : 2003)","2016","45","19","7960","7979","10.1039/c5dt03416g","","","1.54184","CuKα","","0.0844","0.0673","","","0.1917","0.2028","","","","","","1.032","","","","has coordinates,has disorder","185543","2020-10-21","18:00:00",""
"7037306","13.0072","0.0002","19.6446","0.0004","37.6949","0.0007","90","","97.526","0.002","90","","9548.9","0.3","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C180 H313 Cu4 N19 O32 -","- C180 H313 Cu4 N19 O32 -","- C360 H626 Cu8 N38 O64 -","2","0.5","","Rühlig, Karoline; Mothes, Robert; Aliabadi, Azar; Kataev, Vladislav; Büchner, Bernd; Buschbeck, Roy; Rüffer, Tobias; Lang, Heinrich","Cu(II) bis(oxamato) end-grafted poly(amidoamine) dendrimers.","Dalton transactions (Cambridge, England : 2003)","2016","45","19","7960","7979","10.1039/c5dt03416g","","","1.54184","CuKα","","0.0776","0.0622","","","0.1711","0.1813","","","","","","1.044","","","","has coordinates,has disorder","185543","2020-10-21","18:00:00",""
"7037307","13.3872","0.0004","17.0602","0.0006","22.4013","0.0007","85.1417","0.0015","89.6624","0.0015","75.2148","0.0015","4928.4","0.3","173","2","173","2","","","","","","","","9","P -1","-P 1","2","","","","- C46.5 H56 Cl3 F6 Fe2 N2 O3 P S2 -","- C46.5 H56 Cl3 F6 Fe2 N2 O3 P S2 -","- C186 H224 Cl12 F24 Fe8 N8 O12 P4 S8 -","4","2","","Zhou, Yuhan; Dong, Xiaoliang; Zhang, Yixin; Tong, Peng; Qu, Jingping","Highly selective fluorescence sensors for the fluoride anion based on carboxylate-bridged diiron complexes.","Dalton transactions (Cambridge, England : 2003)","2016","45","16","6839","6846","10.1039/c5dt03801d","","","0.71073","MoKα","","0.1153","0.0685","","","0.1623","0.1798","","","","","","1","","","","has coordinates,has disorder","182729","2020-10-21","18:00:00",""
"7037308","17.6823","0.0006","15.2698","0.0005","18.2002","0.0007","90","","105.609","0.002","90","","4732.9","0.3","173","2","173","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C47 H57 F6 Fe2 N2 O3 P S2 -","- C47 H57 F6 Fe2 N2 O3 P S2 -","- C188 H228 F24 Fe8 N8 O12 P4 S8 -","4","1","","Zhou, Yuhan; Dong, Xiaoliang; Zhang, Yixin; Tong, Peng; Qu, Jingping","Highly selective fluorescence sensors for the fluoride anion based on carboxylate-bridged diiron complexes.","Dalton transactions (Cambridge, England : 2003)","2016","45","16","6839","6846","10.1039/c5dt03801d","","","0.71073","MoKα","","0.0859","0.0573","","","0.1425","0.1543","","","","","","1","","","","has coordinates","182729","2020-10-21","18:00:00",""
"7037309","9.5698","0.0003","33.4071","0.0011","15.0363","0.0005","90","","99.255","0.001","90","","4744.5","0.3","173","2","173","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C47 H57 F6 N2 O3 P Ru2 S2 -","- C47 H57 F6 N2 O3 P Ru2 S2 -","- C188 H228 F24 N8 O12 P4 Ru8 S8 -","4","1","","Zhou, Yuhan; Dong, Xiaoliang; Zhang, Yixin; Tong, Peng; Qu, Jingping","Highly selective fluorescence sensors for the fluoride anion based on carboxylate-bridged diiron complexes.","Dalton transactions (Cambridge, England : 2003)","2016","45","16","6839","6846","10.1039/c5dt03801d","","","0.71073","MoKα","","0.0487","0.0373","","","0.0856","0.0891","","","","","","1","","","","has coordinates","182729","2020-10-21","18:00:00",""
"7037314","10.853","0.003","4.587","0.002","12.513","0.004","90","","93.9","0.02","90","","621.5","0.4","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","bth2NH","(NCSC6H4)2NH","","- C14 H9 N3 S2 -","- C14 H9 N3 S2 -","- C28 H18 N6 S4 -","2","1","","Dauer, David-R; Flügge, Melchior; Herbst-Irmer, Regine; Stalke, Dietmar","Bis-(benzothiazol-2-yl)-amines and their metal amides: a structural comparison in the solid state.","Dalton transactions (Cambridge, England : 2003)","2016","45","14","6136","6148","10.1039/c5dt03911h","","","0.71073","MoKα","","0.032","0.0309","","","0.0796","0.0801","","","","","","1.188","","","","has coordinates,has disorder","181718","2020-10-21","18:00:00",""
"7037315","8.317","0.002","12.009","0.003","16.306","0.004","85.55","0.02","75.83","0.02","89.23","0.03","1574.3","0.7","100","2","100","2","","","","","","","","4","P -1","-P 1","2","mbth2NH, (4-Me-NCSC4H3)2NH","bis-(4-methylbenzothiazol-2-yl)-amine","","- C17.75 H15 N3 S2 -","- C17.75 H15 N3 S2 -","- C71 H60 N12 S8 -","4","2","","Dauer, David-R; Flügge, Melchior; Herbst-Irmer, Regine; Stalke, Dietmar","Bis-(benzothiazol-2-yl)-amines and their metal amides: a structural comparison in the solid state.","Dalton transactions (Cambridge, England : 2003)","2016","45","14","6136","6148","10.1039/c5dt03911h","","","0.71073","MoKα","","0.0433","0.0344","","","0.0808","0.0871","","","","","","1.03","","","","has coordinates,has disorder","181718","2020-10-21","18:00:00",""
"7037316","28.107","0.004","12.581","0.002","21.98","0.003","90","","112.93","0.03","90","","7158","2","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","OMebth2NH, (4-OMe-NCSC4H3)2NH","bis-(4-methoxybenzothiazol-2-yl)-amine","","- C19.5 H17 N3 O2 S2 -","- C19.5 H17 N3 O2 S2 -","- C312 H272 N48 O32 S32 -","16","2","","Dauer, David-R; Flügge, Melchior; Herbst-Irmer, Regine; Stalke, Dietmar","Bis-(benzothiazol-2-yl)-amines and their metal amides: a structural comparison in the solid state.","Dalton transactions (Cambridge, England : 2003)","2016","45","14","6136","6148","10.1039/c5dt03911h","","","0.71073","MoKα","","0.0589","0.04","","","0.0921","0.1027","","","","","","1.039","","","","has coordinates,has disorder","181718","2020-10-21","18:00:00",""
"7037317","8.678","0.002","14.569","0.003","14.732","0.003","63.9","0.02","88.93","0.03","74.02","0.02","1596.6","0.7","100","2","100","2","","","","","","","","5","P -1","-P 1","2","bth2NAlMe2","[Me2Al{(NCSC6H4)2N}]","","- C16 H14 Al N3 S2 -","- C16 H14 Al N3 S2 -","- C64 H56 Al4 N12 S8 -","4","2","","Dauer, David-R; Flügge, Melchior; Herbst-Irmer, Regine; Stalke, Dietmar","Bis-(benzothiazol-2-yl)-amines and their metal amides: a structural comparison in the solid state.","Dalton transactions (Cambridge, England : 2003)","2016","45","14","6136","6148","10.1039/c5dt03911h","","","0.56086","AgKα","","0.0398","0.0349","","","0.0783","0.08","","","","","","1.132","","","","has coordinates,has disorder","181718","2020-10-21","18:00:00",""
"7037318","16.013","0.003","16.93","0.003","12.855","0.002","90","","90","","90","","3485","1","100","2","100","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","mbth2NAlMe2","","","- C18 H18 Al N3 S2 -","- C18 H18 Al N3 S2 -","- C144 H144 Al8 N24 S16 -","8","1","","Dauer, David-R; Flügge, Melchior; Herbst-Irmer, Regine; Stalke, Dietmar","Bis-(benzothiazol-2-yl)-amines and their metal amides: a structural comparison in the solid state.","Dalton transactions (Cambridge, England : 2003)","2016","45","14","6136","6148","10.1039/c5dt03911h","","","0.56086","AgKα","","0.0307","0.0267","","","0.0695","0.0725","","","","","","1.073","","","","has coordinates","181718","2020-10-21","18:00:00",""
"7037319","11.136","0.002","17.335","0.003","14.122","0.002","90","","95.96","0.02","90","","2711.4","0.8","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","OMebth2NAlMe2_AlMe3","[Me2Al{(4-OMe-NCSC6H3)2N}AlMe3]","","- C23.92 H30.33 Al2 N3 O2 S2 -","- C23.919 H30.336 Al2 N3 O2 S2 -","- C95.676 H121.344 Al8 N12 O8 S8 -","4","1","","Dauer, David-R; Flügge, Melchior; Herbst-Irmer, Regine; Stalke, Dietmar","Bis-(benzothiazol-2-yl)-amines and their metal amides: a structural comparison in the solid state.","Dalton transactions (Cambridge, England : 2003)","2016","45","14","6136","6148","10.1039/c5dt03911h","","","0.71073","MoKα","","0.0588","0.0432","","","0.1228","0.1351","","","","","","1.041","","","","has coordinates,has disorder","181718","2020-10-21","18:00:00",""
"7037320","14.094","0.002","16.125","0.003","16.706","0.003","71","0.03","73.41","0.03","69.2","0.02","3293.3","1.2","100","2","100","2","","","","","","","","5","P -1","-P 1","2","(mbthNLi)4","[Lil{(4-Me-NCSC6H3)2N}]4","","- C17.75 H14 Li N3 S2 -","- C17.75 H14 Li N3 S2 -","- C142 H112 Li8 N24 S16 -","8","4","","Dauer, David-R; Flügge, Melchior; Herbst-Irmer, Regine; Stalke, Dietmar","Bis-(benzothiazol-2-yl)-amines and their metal amides: a structural comparison in the solid state.","Dalton transactions (Cambridge, England : 2003)","2016","45","14","6136","6148","10.1039/c5dt03911h","","","0.71073","MoKα","","0.1175","0.0571","","","0.1236","0.1491","","","","","","1.017","","","","has coordinates,has disorder","181718","2020-10-21","18:00:00",""
"7037325","9.1791","0.0004","9.8948","0.0004","10.2882","0.0004","79.7842","0.0011","66.5677","0.001","87.3763","0.0011","843.46","0.06","153","2","153","2","","","","","","","","4","P -1","-P 1","2","","","","- C18 H19 Cl Ge -","- C18 H19 Cl Ge -","- C36 H38 Cl2 Ge2 -","2","1","","Honacker, Christian; Qu, Zheng-Wang; Tannert, Jens; Layh, Marcus; Hepp, Alexander; Grimme, Stefan; Uhl, Werner","Functionalized alkynyl-chlorogermanes: hydrometallation, Ge-Cl bond activation, Ge-H bond formation and chlorine-tert-butyl exchange via a transient germyl cation.","Dalton transactions (Cambridge, England : 2003)","2016","45","14","6159","6174","10.1039/c5dt03918e","","","0.71073","MoKα","","0.032","0.0266","","","0.0631","0.0654","","","","","","1.081","","","","has coordinates","181730","2020-10-21","18:00:00",""
"7037326","9.5784","0.0004","12.8035","0.0006","14.997","0.0007","90","","90.53","0.003","90","","1839.11","0.14","153","2","153","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C18 H23 Cl Ge -","- C18 H23 Cl Ge -","- C72 H92 Cl4 Ge4 -","4","1","","Honacker, Christian; Qu, Zheng-Wang; Tannert, Jens; Layh, Marcus; Hepp, Alexander; Grimme, Stefan; Uhl, Werner","Functionalized alkynyl-chlorogermanes: hydrometallation, Ge-Cl bond activation, Ge-H bond formation and chlorine-tert-butyl exchange via a transient germyl cation.","Dalton transactions (Cambridge, England : 2003)","2016","45","14","6159","6174","10.1039/c5dt03918e","","","0.71073","MoKα","","0.0436","0.0307","","","0.0715","0.0755","","","","","","1.057","","","","has coordinates","181730","2020-10-21","18:00:00",""
"7037327","9.5761","0.0003","12.4825","0.0005","17.9869","0.0006","90","","91.0378","0.0008","90","","2149.69","0.13","153","2","153","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C21 H29 Cl Ge -","- C21 H29 Cl Ge -","- C84 H116 Cl4 Ge4 -","4","1","","Honacker, Christian; Qu, Zheng-Wang; Tannert, Jens; Layh, Marcus; Hepp, Alexander; Grimme, Stefan; Uhl, Werner","Functionalized alkynyl-chlorogermanes: hydrometallation, Ge-Cl bond activation, Ge-H bond formation and chlorine-tert-butyl exchange via a transient germyl cation.","Dalton transactions (Cambridge, England : 2003)","2016","45","14","6159","6174","10.1039/c5dt03918e","","","0.71073","MoKα","","0.035","0.0314","","","0.0857","0.0881","","","","","","1.078","","","","has coordinates,has disorder","181730","2020-10-21","18:00:00",""
"7037328","11.3257","0.0005","11.4465","0.0005","12.9022","0.0006","86.6042","0.0013","72.7074","0.0012","65.5128","0.0011","1449.44","0.11","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C28.5 H43 Al Cl Ge -","- C28.5 H43 Al Cl Ge -","- C57 H86 Al2 Cl2 Ge2 -","2","1","","Honacker, Christian; Qu, Zheng-Wang; Tannert, Jens; Layh, Marcus; Hepp, Alexander; Grimme, Stefan; Uhl, Werner","Functionalized alkynyl-chlorogermanes: hydrometallation, Ge-Cl bond activation, Ge-H bond formation and chlorine-tert-butyl exchange via a transient germyl cation.","Dalton transactions (Cambridge, England : 2003)","2016","45","14","6159","6174","10.1039/c5dt03918e","","","0.71073","MoKα","","0.0419","0.0312","","","0.0733","0.077","","","","","","1.059","","","","has coordinates","181730","2020-10-21","18:00:00",""
"7037329","10.1763","0.0005","10.7259","0.0005","13.9537","0.0006","80.891","0.001","74.815","0.001","89.831","0.001","1450.15","0.12","153","2","153","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H42 Al Cl Ge -","- C26 H42 Al Cl Ge -","- C52 H84 Al2 Cl2 Ge2 -","2","1","","Honacker, Christian; Qu, Zheng-Wang; Tannert, Jens; Layh, Marcus; Hepp, Alexander; Grimme, Stefan; Uhl, Werner","Functionalized alkynyl-chlorogermanes: hydrometallation, Ge-Cl bond activation, Ge-H bond formation and chlorine-tert-butyl exchange via a transient germyl cation.","Dalton transactions (Cambridge, England : 2003)","2016","45","14","6159","6174","10.1039/c5dt03918e","","","0.71073","MoKα","","0.029","0.0263","","","0.07","0.0717","","","","","","1.059","","","","has coordinates","181730","2020-10-21","18:00:00",""
"7037330","12.4523","0.0006","15.9702","0.0008","15.6757","0.0008","90","","90.1397","0.0015","90","","3117.4","0.3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C29 H48 Al Cl Ge -","- C29 H48 Al Cl Ge -","- C116 H192 Al4 Cl4 Ge4 -","4","1","","Honacker, Christian; Qu, Zheng-Wang; Tannert, Jens; Layh, Marcus; Hepp, Alexander; Grimme, Stefan; Uhl, Werner","Functionalized alkynyl-chlorogermanes: hydrometallation, Ge-Cl bond activation, Ge-H bond formation and chlorine-tert-butyl exchange via a transient germyl cation.","Dalton transactions (Cambridge, England : 2003)","2016","45","14","6159","6174","10.1039/c5dt03918e","","","0.71073","MoKα","","0.0546","0.0458","","","0.1314","0.1374","","","","","","1.061","","","","has coordinates,has disorder","181730","2020-10-21","18:00:00",""
"7037331","9.4442","0.0004","23.5969","0.001","17.7027","0.0008","90","","96.808","0.002","90","","3917.3","0.3","153","2","153","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C38 H62 Al Cl F Ge -","- C38 H62 Al Cl F Ge -","- C152 H248 Al4 Cl4 F4 Ge4 -","4","1","","Honacker, Christian; Qu, Zheng-Wang; Tannert, Jens; Layh, Marcus; Hepp, Alexander; Grimme, Stefan; Uhl, Werner","Functionalized alkynyl-chlorogermanes: hydrometallation, Ge-Cl bond activation, Ge-H bond formation and chlorine-tert-butyl exchange via a transient germyl cation.","Dalton transactions (Cambridge, England : 2003)","2016","45","14","6159","6174","10.1039/c5dt03918e","","","0.71073","MoKα","","0.0468","0.034","","","0.0817","0.0864","","","","","","1.028","","","","has coordinates","181730","2020-10-21","18:00:00",""
"7037332","10.1387","0.0004","10.6816","0.0004","14.032","0.0005","81.233","0.001","75.177","0.001","89.661","0.001","1451.02","0.09","153","2","153","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H42 Cl Ga Ge -","- C26 H42 Cl Ga Ge -","- C52 H84 Cl2 Ga2 Ge2 -","2","1","","Honacker, Christian; Qu, Zheng-Wang; Tannert, Jens; Layh, Marcus; Hepp, Alexander; Grimme, Stefan; Uhl, Werner","Functionalized alkynyl-chlorogermanes: hydrometallation, Ge-Cl bond activation, Ge-H bond formation and chlorine-tert-butyl exchange via a transient germyl cation.","Dalton transactions (Cambridge, England : 2003)","2016","45","14","6159","6174","10.1039/c5dt03918e","","","0.71073","MoKα","","0.0347","0.0265","","","0.0672","0.0707","","","","","","1.041","","","","has coordinates","181730","2020-10-21","18:00:00",""
"7037333","9.2269","0.0009","15.7079","0.0015","16.9081","0.0016","89.192","0.003","79.211","0.003","78.593","0.003","2359","0.4","153","2","153","2","","","","","","","","5","P -1","-P 1","2","","","","- C44 H81 Cl Ga2 Ge -","- C44 H81 Cl Ga2 Ge -","- C88 H162 Cl2 Ga4 Ge2 -","2","1","","Honacker, Christian; Qu, Zheng-Wang; Tannert, Jens; Layh, Marcus; Hepp, Alexander; Grimme, Stefan; Uhl, Werner","Functionalized alkynyl-chlorogermanes: hydrometallation, Ge-Cl bond activation, Ge-H bond formation and chlorine-tert-butyl exchange via a transient germyl cation.","Dalton transactions (Cambridge, England : 2003)","2016","45","14","6159","6174","10.1039/c5dt03918e","","","0.71073","MoKα","","0.0855","0.0476","","","0.1086","0.1222","","","","","","1.01","","","","has coordinates,has disorder","181730","2020-10-21","18:00:00",""
"7037334","10.2946","0.0002","11.2323","0.0002","17.7822","0.0003","103.385","0.001","104.904","0.001","94.404","0.001","1912.61","0.06","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C38 H63 Al F Ge -","- C38 H63 Al F Ge -","- C76 H126 Al2 F2 Ge2 -","2","1","","Honacker, Christian; Qu, Zheng-Wang; Tannert, Jens; Layh, Marcus; Hepp, Alexander; Grimme, Stefan; Uhl, Werner","Functionalized alkynyl-chlorogermanes: hydrometallation, Ge-Cl bond activation, Ge-H bond formation and chlorine-tert-butyl exchange via a transient germyl cation.","Dalton transactions (Cambridge, England : 2003)","2016","45","14","6159","6174","10.1039/c5dt03918e","","","0.71073","MoKα","","0.0469","0.0382","","","0.0945","0.0985","","","","","","1.033","","","","has coordinates,has disorder","181730","2020-10-21","18:00:00",""
"7037335","9.152","0.0003","11.225","0.0004","15.0549","0.0005","109.175","0.002","96.345","0.002","100.563","0.002","1411.56","0.09","153","2","153","2","","","","","","","","5","P -1","-P 1","2","","","","- C52 H84 Al2 Cl2 Ge2 -","- C52 H84 Al2 Cl2 Ge2 -","- C52 H84 Al2 Cl2 Ge2 -","1","0.5","","Honacker, Christian; Qu, Zheng-Wang; Tannert, Jens; Layh, Marcus; Hepp, Alexander; Grimme, Stefan; Uhl, Werner","Functionalized alkynyl-chlorogermanes: hydrometallation, Ge-Cl bond activation, Ge-H bond formation and chlorine-tert-butyl exchange via a transient germyl cation.","Dalton transactions (Cambridge, England : 2003)","2016","45","14","6159","6174","10.1039/c5dt03918e","","","0.71073","MoKα","","0.0531","0.0384","","","0.0839","0.0891","","","","","","1.052","","","","has coordinates,has disorder","181730","2020-10-21","18:00:00",""
"7037336","4.741","0.002","11.471","0.003","13.084","0.003","79.15","0.02","85.84","0.02","78.19","0.02","683.6","0.4","100","2","100","2","","","","","","","","4","P -1","-P 1","2","(4-Me-NCOC6H3)2CH2","bis-(4-methylbenzoxazol-2-yl)-methane","","- C17 H14 N2 O2 -","- C17 H14 N2 O2 -","- C34 H28 N4 O4 -","2","1","","Dauer, David-R; Flügge, Melchior; Herbst-Irmer, Regine; Stalke, Dietmar","Group 13 metal complexes containing the bis-(4-methylbenzoxazol-2-yl)-methanide ligand.","Dalton transactions (Cambridge, England : 2003)","2016","45","14","6149","6158","10.1039/c5dt03913d","","","0.71073","MoKα","","0.0427","0.0364","","","0.0896","0.0938","","","","","","1.057","","","","has coordinates","181744","2020-10-21","18:00:00",""
"7037337","15.629","0.003","7.894","0.002","15.631","0.003","90","","117.04","0.02","90","","1717.7","0.7","106","2","106","2","","","","","","","","5","P 1 n 1","P -2yac","7","[Me2In{(4-Me-NCOC6H3)2CH}]","Dimethyl indium bis-(4-methylbenzoxazol-2-yl)-methanide","","- C19 H19 In N2 O2 -","- C19 H19 In N2 O2 -","- C76 H76 In4 N8 O8 -","4","2","","Dauer, David-R; Flügge, Melchior; Herbst-Irmer, Regine; Stalke, Dietmar","Group 13 metal complexes containing the bis-(4-methylbenzoxazol-2-yl)-methanide ligand.","Dalton transactions (Cambridge, England : 2003)","2016","45","14","6149","6158","10.1039/c5dt03913d","","","0.56086","AgKα","","0.0281","0.0248","","","0.0533","0.0546","","","","","","1.03","","","","has coordinates,has disorder","181744","2020-10-21","18:00:00",""
"7037338","7.982","0.002","14.727","0.003","13.89","0.003","90","","91.73","0.02","90","","1632","0.6","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","[ClMeAl{(4-Me-NCOC6H3)2CH}]","Chloro methyl aluminium bis-(4-methylbenzoxazol-2-yl)-methanide","","- C18.11 H16.32 Al Cl0.89 N2 O2 -","- C18.106 H16.318 Al Cl0.893 N2 O2 -","- C72.424 H65.272 Al4 Cl3.572 N8 O8 -","4","1","","Dauer, David-R; Flügge, Melchior; Herbst-Irmer, Regine; Stalke, Dietmar","Group 13 metal complexes containing the bis-(4-methylbenzoxazol-2-yl)-methanide ligand.","Dalton transactions (Cambridge, England : 2003)","2016","45","14","6149","6158","10.1039/c5dt03913d","","","0.56086","AgKα","","0.0424","0.0322","","","0.0839","0.0885","","","","","","1.066","","","","has coordinates,has disorder","181744","2020-10-21","18:00:00",""
"7037339","8.015","0.002","13.868","0.002","15.566","0.003","90","","90","","90","","1730.2","0.6","100","2","100","2","","","","","","","","6","P b c m","-P 2c 2b","57","[MeIAl{(4-Me-NCOC6H3)2CH}]","Iodo methyl aluminium bis-(4-methylbenzoxazol-2-yl)-methanide","","- C18 H16 Al I N2 O2 -","- C18 H16 Al I N2 O2 -","- C72 H64 Al4 I4 N8 O8 -","4","0.5","","Dauer, David-R; Flügge, Melchior; Herbst-Irmer, Regine; Stalke, Dietmar","Group 13 metal complexes containing the bis-(4-methylbenzoxazol-2-yl)-methanide ligand.","Dalton transactions (Cambridge, England : 2003)","2016","45","14","6149","6158","10.1039/c5dt03913d","","","0.56086","AgKα","","0.0294","0.0222","","","0.0516","0.0542","","","","","","1.081","","","","has coordinates,has disorder","181744","2020-10-21","18:00:00",""
"7037340","9.102","0.003","7.647","0.002","26.711","0.004","90","","96.59","0.02","90","","1846.9","0.8","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","[EtI{(4-Me-NCOC6H3)2CH}]","Iodo ethyl aluminium bis-(4-methylbenzoxazol-2-yl)-methanide","","- C19 H18 Al I N2 O2 -","- C19 H18 Al I N2 O2 -","- C76 H72 Al4 I4 N8 O8 -","4","1","","Dauer, David-R; Flügge, Melchior; Herbst-Irmer, Regine; Stalke, Dietmar","Group 13 metal complexes containing the bis-(4-methylbenzoxazol-2-yl)-methanide ligand.","Dalton transactions (Cambridge, England : 2003)","2016","45","14","6149","6158","10.1039/c5dt03913d","","","0.71073","MoKα","","0.0236","0.021","","","0.052","0.0534","","","","","","1.065","","","","has coordinates,has disorder","181744","2020-10-21","18:00:00",""
"7037341","7.79","0.002","7.974","0.002","8.279","0.003","93.24","0.02","115.09","0.03","99.95","0.02","453.9","0.3","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","4-Methylbenzoxazol-2-yl-carboxamide","","- C10 H10 N2 O2 -","- C10 H10 N2 O2 -","- C20 H20 N4 O4 -","2","1","","Dauer, David-R; Flügge, Melchior; Herbst-Irmer, Regine; Stalke, Dietmar","Group 13 metal complexes containing the bis-(4-methylbenzoxazol-2-yl)-methanide ligand.","Dalton transactions (Cambridge, England : 2003)","2016","45","14","6149","6158","10.1039/c5dt03913d","","","0.71073","MoKα","","0.0614","0.0496","","","0.1251","0.1345","","","","","","1.088","","","","has coordinates","181744","2020-10-21","18:00:00",""
"7037342","8.029","0.002","14.773","0.003","14.072","0.003","90","","90.03","0.02","90","","1669.1","0.6","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","[Me2Al{(4-Me-NCOC6H3)2CH}]","Dimethyl aluminium bis-(4-methylbenzoxazol-2-yl)-methanide","","- C19 H19 Al N2 O2 -","- C19 H19 Al N2 O2 -","- C76 H76 Al4 N8 O8 -","4","1","","Dauer, David-R; Flügge, Melchior; Herbst-Irmer, Regine; Stalke, Dietmar","Group 13 metal complexes containing the bis-(4-methylbenzoxazol-2-yl)-methanide ligand.","Dalton transactions (Cambridge, England : 2003)","2016","45","14","6149","6158","10.1039/c5dt03913d","","","0.71073","MoKα","","0.0321","0.0306","","","0.0851","0.0868","","","","","","1.072","","","","has coordinates","181744","2020-10-21","18:00:00",""
"7037343","7.9857","0.0002","14.8521","0.0005","14.0873","0.0005","90","","90.178","0.001","90","","1670.81","0.09","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","dimethyl gallium bis-(4-methylbenzoxazol-2-yl)-methanide","","- C19 H19 Ga N2 O2 -","- C19 H19 Ga N2 O2 -","- C76 H76 Ga4 N8 O8 -","4","1","","Dauer, David-R; Flügge, Melchior; Herbst-Irmer, Regine; Stalke, Dietmar","Group 13 metal complexes containing the bis-(4-methylbenzoxazol-2-yl)-methanide ligand.","Dalton transactions (Cambridge, England : 2003)","2016","45","14","6149","6158","10.1039/c5dt03913d","","","0.56086","AgKα","","0.0303","0.0248","","","0.0641","0.0672","","","","","","1.049","","","","has coordinates","181744","2020-10-21","18:00:00",""
"7037345","10.662","0.003","14.595","0.003","18.403","0.005","90","","90","","90","","2863.7","1.3","298","2","298","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C32 H32 Cl Ir N4 O -","- C32 H32 Cl Ir N4 O -","- C128 H128 Cl4 Ir4 N16 O4 -","4","1","","Mazzeo, Giuseppe; Fusè, Marco; Longhi, Giovanna; Rimoldi, Isabella; Cesarotti, Edoardo; Crispini, Alessandra; Abbate, Sergio","Vibrational circular dichroism and chiroptical properties of chiral Ir(iii) luminescent complexes.","Dalton transactions (Cambridge, England : 2003)","2016","45","3","992","999","10.1039/c5dt03642a","","","0.71073","MoKα","","0.0211","0.0183","","","0.0444","0.0457","","","","","","0.957","","","","has coordinates","176040","2020-10-21","18:00:00",""
"7037352","8.9982","0.0016","7.7028","0.0013","18.876","0.003","90","","95.086","0.004","90","","1303.2","0.4","296","","296","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H18 Mn2 N4 O10 -","- C24 H18 Mn2 N4 O10 -","- C48 H36 Mn4 N8 O20 -","2","0.5","","Álvarez, Celedonio M; García-Rodríguez, Raúl; Miguel, Daniel","Metallamacrocycle formation through dimerization of metal bioconjugates derived from amino acids and peptides.","Dalton transactions (Cambridge, England : 2003)","2016","45","3","963","972","10.1039/c5dt01256b","","","0.71073","MoKα","","0.0603","0.0361","","","0.0678","0.0739","","","","","","0.865","","","","has coordinates","176044","2020-10-21","18:00:00",""
"7037353","13.104","0.004","28.519","0.009","13.023","0.004","90","","90","","90","","4867","3","296","","296","","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C36 H50 Cl2 Mn2 N6 O18 -","- C36 H50 Cl2 Mn2 N6 O18 -","- C144 H200 Cl8 Mn8 N24 O72 -","4","1","","Álvarez, Celedonio M; García-Rodríguez, Raúl; Miguel, Daniel","Metallamacrocycle formation through dimerization of metal bioconjugates derived from amino acids and peptides.","Dalton transactions (Cambridge, England : 2003)","2016","45","3","963","972","10.1039/c5dt01256b","","","0.71073","MoKα","","0.1123","0.0698","","","0.1808","0.2059","","","","","","0.975","","","","has coordinates,has disorder","176044","2020-10-21","18:00:00",""
"7037354","13.49","0.004","15.058","0.004","16.017","0.004","90","","99.703","0.004","90","","3207","1.5","296","","296","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C28 H26 N4 O11 Re2 -","- C28 H26 N4 O11 Re2 -","- C112 H104 N16 O44 Re8 -","4","1","","Álvarez, Celedonio M; García-Rodríguez, Raúl; Miguel, Daniel","Metallamacrocycle formation through dimerization of metal bioconjugates derived from amino acids and peptides.","Dalton transactions (Cambridge, England : 2003)","2016","45","3","963","972","10.1039/c5dt01256b","","","0.71073","MoKα","","0.2069","0.0664","","","0.1238","0.1739","","","","","","0.917","","","","has coordinates","176044","2020-10-21","18:00:00",""
"7037355","8.018","0.003","8.59","0.004","13.24","0.006","78.395","0.007","82.549","0.008","74.989","0.009","859.9","0.6","296","","296","","","","","","","","","5","P -1","-P 1","2","","","","- C16 H20 Mo N2 O5 -","- C16 H20 Mo N2 O5 -","- C32 H40 Mo2 N4 O10 -","2","1","","Álvarez, Celedonio M; García-Rodríguez, Raúl; Miguel, Daniel","Metallamacrocycle formation through dimerization of metal bioconjugates derived from amino acids and peptides.","Dalton transactions (Cambridge, England : 2003)","2016","45","3","963","972","10.1039/c5dt01256b","","","0.71073","MoKα","","0.1107","0.0907","","","0.246","0.2544","","","","","","1.12","","","","has coordinates","176044","2020-10-21","18:00:00",""
"7037356","12.307","0.01","11.341","0.009","24.874","0.019","90","","94.052","0.015","90","","3463","5","296","","296","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C27 H24 Mn2 N6 O13 -","- C27 H24 Mn2 N6 O13 -","- C108 H96 Mn8 N24 O52 -","4","1","","Álvarez, Celedonio M; García-Rodríguez, Raúl; Miguel, Daniel","Metallamacrocycle formation through dimerization of metal bioconjugates derived from amino acids and peptides.","Dalton transactions (Cambridge, England : 2003)","2016","45","3","963","972","10.1039/c5dt01256b","","","0.71073","MoKα","","0.2075","0.0775","","","0.1541","0.1789","","","","","","0.839","","","","has coordinates","176044","2020-10-21","18:00:00",""
"7037357","9.942","0.003","10.301","0.003","19.236","0.005","90","","91.241","0.005","90","","1969.5","1","296","","296","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C34 H42 Mo2 N6 O12 -","- C34 H42 Mo2 N6 O12 -","- C68 H84 Mo4 N12 O24 -","2","0.5","","Álvarez, Celedonio M; García-Rodríguez, Raúl; Miguel, Daniel","Metallamacrocycle formation through dimerization of metal bioconjugates derived from amino acids and peptides.","Dalton transactions (Cambridge, England : 2003)","2016","45","3","963","972","10.1039/c5dt01256b","","","0.71073","MoKα","","0.0581","0.0285","","","0.0535","0.0587","","","","","","0.88","","","","has coordinates","176044","2020-10-21","18:00:00",""
"7037358","14.364","0.003","15.562","0.003","21.783","0.004","75.094","0.004","79.901","0.004","67.876","0.004","4342.1","1.5","296","","296","","","","","","","","","5","P -1","-P 1","2","","","","- C32 H34 Mo2 N6 O10 -","- C32 H34 Mo2 N6 O10 -","- C128 H136 Mo8 N24 O40 -","4","2","","Álvarez, Celedonio M; García-Rodríguez, Raúl; Miguel, Daniel","Metallamacrocycle formation through dimerization of metal bioconjugates derived from amino acids and peptides.","Dalton transactions (Cambridge, England : 2003)","2016","45","3","963","972","10.1039/c5dt01256b","","","0.71073","MoKα","","0.1584","0.0554","","","0.1089","0.1269","","","","","","0.734","","","","has coordinates","176044","2020-10-21","18:00:00",""
"7037359","12.601","0.007","15.449","0.008","34.612","0.019","90","","92.851","0.008","90","","6730","6","120","2","120","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C144 H212 Mg2 N8 Na2 O14 Si2 -","- C144 H212 Mg2 N8 Na2 O14 Si2 -","- C288 H424 Mg4 N16 Na4 O28 Si4 -","2","0.5","","Livingstone, Zoe; Hernán-Gómez, Alberto; Baillie, Sharon E.; Armstrong, David R.; Carrella, Luca M.; Clegg, William; Harrington, Ross W.; Kennedy, Alan R.; Rentschler, Eva; Hevia, Eva","Assessing the reactivity of sodium alkyl-magnesiates towards quinoxaline: single electron transfer (SET) vs. nucleophilic alkylation processes.","Dalton transactions (Cambridge, England : 2003)","2016","45","14","6175","6182","10.1039/c5dt04044b","","","0.6889","synchrotron","","0.1908","0.0973","","","0.2634","0.3319","","","","","","1.027","","","","has coordinates,has disorder","181732","2020-10-21","18:00:00",""
"7037360","13.3693","0.0004","20.9222","0.0006","24.82","0.0008","90","","90","","90","","6942.5","0.4","150","2","150","2","","","","","","","","7","P b c m","-P 2c 2b","57","","","","- C69 H110 Mg N3 Na O6 Si -","- C69 H110 Mg N3 Na O6 Si -","- C276 H440 Mg4 N12 Na4 O24 Si4 -","4","0.5","","Livingstone, Zoe; Hernán-Gómez, Alberto; Baillie, Sharon E.; Armstrong, David R.; Carrella, Luca M.; Clegg, William; Harrington, Ross W.; Kennedy, Alan R.; Rentschler, Eva; Hevia, Eva","Assessing the reactivity of sodium alkyl-magnesiates towards quinoxaline: single electron transfer (SET) vs. nucleophilic alkylation processes.","Dalton transactions (Cambridge, England : 2003)","2016","45","14","6175","6182","10.1039/c5dt04044b","","","0.71073","MoKα","","0.092","0.0672","","","0.1723","0.1919","","","","","","1.04","","","","has coordinates,has disorder","181732","2020-10-21","18:00:00",""
"7037361","24.4651","0.0011","10.8289","0.0004","22.8846","0.001","90","","90","","90","","6062.8","0.4","123","2","123","2","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C59.8 H91.6 Mg N3 Na O4.7 Si -","- C59.8 H91.6 Mg N3 Na O4.7 Si -","- C239.2 H366.4 Mg4 N12 Na4 O18.8 Si4 -","4","1","","Livingstone, Zoe; Hernán-Gómez, Alberto; Baillie, Sharon E.; Armstrong, David R.; Carrella, Luca M.; Clegg, William; Harrington, Ross W.; Kennedy, Alan R.; Rentschler, Eva; Hevia, Eva","Assessing the reactivity of sodium alkyl-magnesiates towards quinoxaline: single electron transfer (SET) vs. nucleophilic alkylation processes.","Dalton transactions (Cambridge, England : 2003)","2016","45","14","6175","6182","10.1039/c5dt04044b","","","0.71073","MoKα","","0.0922","0.067","","","0.1502","0.1677","","","","","","1.033","","","","has coordinates,has disorder","181732","2020-10-21","18:00:00",""
"7037362","10.1849","0.0006","15.8617","0.0013","8.22","0.0005","90","","90","","90","","1327.94","0.16","123","2","123","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C12 H20 N2 Si -","- C12 H20 N2 Si -","- C48 H80 N8 Si4 -","4","1","","Livingstone, Zoe; Hernán-Gómez, Alberto; Baillie, Sharon E.; Armstrong, David R.; Carrella, Luca M.; Clegg, William; Harrington, Ross W.; Kennedy, Alan R.; Rentschler, Eva; Hevia, Eva","Assessing the reactivity of sodium alkyl-magnesiates towards quinoxaline: single electron transfer (SET) vs. nucleophilic alkylation processes.","Dalton transactions (Cambridge, England : 2003)","2016","45","14","6175","6182","10.1039/c5dt04044b","","","1.5418","CuKα","","0.065","0.0524","","","0.1288","0.1369","","","","","","1.078","","","","has coordinates","181732","2020-10-21","18:00:00",""
"7037372","7.2645","0.0002","22.7706","0.0005","10.5374","0.0002","90","","97.257","0.001","90","","1729.1","0.07","133","2","133","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C23 H19 N -","- C23 H19 N -","- C92 H76 N4 -","4","1","","Younis, Fadi M.; Krieck, Sven; Görls, Helmar; Westerhausen, Matthias","Hydroamination of diphenylbutadiyne with secondary N-methyl-anilines using the dipotassium tetrakis(2,6-diisopropylanilino)calciate precatalyst.","Dalton transactions (Cambridge, England : 2003)","2016","45","14","6241","6250","10.1039/c5dt03818a","","","0.71073","MoKα","","0.0538","0.0432","","","0.0935","0.0996","","","","","","1.064","","","","has coordinates","181737","2020-10-21","18:00:00",""
"7037373","7.4316","0.0001","23.6631","0.0007","10.6845","0.0003","90","","100.375","0.002","90","","1848.2","0.08","133","2","133","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C24 H21 N -","- C24 H21 N -","- C96 H84 N4 -","4","1","","Younis, Fadi M.; Krieck, Sven; Görls, Helmar; Westerhausen, Matthias","Hydroamination of diphenylbutadiyne with secondary N-methyl-anilines using the dipotassium tetrakis(2,6-diisopropylanilino)calciate precatalyst.","Dalton transactions (Cambridge, England : 2003)","2016","45","14","6241","6250","10.1039/c5dt03818a","","","0.71073","MoKα","","0.0616","0.0468","","","0.0988","0.1079","","","","","","1.069","","","","has coordinates","181737","2020-10-21","18:00:00",""
"7037374","7.2846","0.0001","23.2679","0.0005","10.5794","0.0002","90","","98.835","0.001","90","","1771.9","0.06","133","2","133","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C23 H18 F N -","- C23 H18 F N -","- C92 H72 F4 N4 -","4","1","","Younis, Fadi M.; Krieck, Sven; Görls, Helmar; Westerhausen, Matthias","Hydroamination of diphenylbutadiyne with secondary N-methyl-anilines using the dipotassium tetrakis(2,6-diisopropylanilino)calciate precatalyst.","Dalton transactions (Cambridge, England : 2003)","2016","45","14","6241","6250","10.1039/c5dt03818a","","","0.71073","MoKα","","0.0416","0.0385","","","0.0891","0.0912","","","","","","1.048","","","","has coordinates","181737","2020-10-21","18:00:00",""
"7037375","10.5309","0.0015","11.255","0.002","10.6349","0.0017","90","","113.94","0.01","90","","1152.1","0.3","133","2","133","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C30 H28 N2 -","- C30 H28 N2 -","- C60 H56 N4 -","2","0.5","","Younis, Fadi M.; Krieck, Sven; Görls, Helmar; Westerhausen, Matthias","Hydroamination of diphenylbutadiyne with secondary N-methyl-anilines using the dipotassium tetrakis(2,6-diisopropylanilino)calciate precatalyst.","Dalton transactions (Cambridge, England : 2003)","2016","45","14","6241","6250","10.1039/c5dt03818a","","","0.71073","MoKα","","0.1221","0.0791","","","0.1573","0.1796","","","","","","1.135","","","","has coordinates","181737","2020-10-21","18:00:00",""
"7037376","11.0689","0.0003","12.6418","0.0004","8.3768","0.0002","90","","102.224","0.002","90","","1145.6","0.06","133","2","133","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C30 H26 F2 N2 -","- C30 H26 F2 N2 -","- C60 H52 F4 N4 -","2","0.5","","Younis, Fadi M.; Krieck, Sven; Görls, Helmar; Westerhausen, Matthias","Hydroamination of diphenylbutadiyne with secondary N-methyl-anilines using the dipotassium tetrakis(2,6-diisopropylanilino)calciate precatalyst.","Dalton transactions (Cambridge, England : 2003)","2016","45","14","6241","6250","10.1039/c5dt03818a","","","0.71073","MoKα","","0.0704","0.0648","","","0.1805","0.1838","","","","","","1.153","","","","has coordinates","181737","2020-10-21","18:00:00",""
"7037377","11.7393","0.0004","8.3583","0.0003","11.9106","0.0004","90","","100.576","0.002","90","","1148.82","0.07","133","2","133","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C30 H27 F N2 -","- C30 H27 F N2 -","- C60 H54 F2 N4 -","2","0.5","","Younis, Fadi M.; Krieck, Sven; Görls, Helmar; Westerhausen, Matthias","Hydroamination of diphenylbutadiyne with secondary N-methyl-anilines using the dipotassium tetrakis(2,6-diisopropylanilino)calciate precatalyst.","Dalton transactions (Cambridge, England : 2003)","2016","45","14","6241","6250","10.1039/c5dt03818a","","","0.71073","MoKα","","0.0744","0.0671","","","0.1778","0.1824","","","","","","1.159","","","","has coordinates,has disorder","181737","2020-10-21","18:00:00",""
"7037378","11.2994","0.001","9.1921","0.0006","46.949","0.005","90","","92.111","0.004","90","","4873.1","0.7","150","2","150","2","","","","","","","synthesis as described","4","P 1 21/c 1","-P 2ybc","14","","","","- C60 H38 P2 S6 -","- C60 H38 P2 S6 -","- C240 H152 P8 S24 -","4","1","","Delaunay, W.; Szűcs, R; Pascal, S.; Mocanu, A.; Bouit, P.-A.; Nyulászi, L; Hissler, M.","Synthesis and electronic properties of polycyclic aromatic hydrocarbons doped with phosphorus and sulfur.","Dalton transactions (Cambridge, England : 2003)","2016","45","5","1896","1903","10.1039/c5dt04154f","","x-ray","0.71073","MoKα","","0.0712","0.0544","","","0.1185","0.1251","","","","","","1.093","","","","has coordinates,has disorder","176091","2020-10-21","18:00:00",""
"7037379","10.3219","0.0004","14.7114","0.0005","15.3878","0.0006","90","","100.192","0.002","90","","2299.76","0.15","150","2","150","2","","","","","","","synthesis as described","4","P 1 21 1","P 2yb","4","","","","- C60 H34 P2 S6 -","- C60 H34 P2 S6 -","- C120 H68 P4 S12 -","2","1","","Delaunay, W.; Szűcs, R; Pascal, S.; Mocanu, A.; Bouit, P.-A.; Nyulászi, L; Hissler, M.","Synthesis and electronic properties of polycyclic aromatic hydrocarbons doped with phosphorus and sulfur.","Dalton transactions (Cambridge, England : 2003)","2016","45","5","1896","1903","10.1039/c5dt04154f","","x-ray","0.71073","MoKα","","0.0779","0.0567","","","0.1405","0.1559","","","","","","1.028","","","","has coordinates,has disorder","176091","2020-10-21","18:00:00",""
"7037380","9.843","0.001","11.691","0.001","13.887","0.001","101.061","0.002","101.113","0.002","103.285","0.002","1478.7","0.2","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C34 H25 O4 P S3 -","- C34 H25 O4 P S3 -","- C68 H50 O8 P2 S6 -","2","1","","Delaunay, W.; Szűcs, R; Pascal, S.; Mocanu, A.; Bouit, P.-A.; Nyulászi, L; Hissler, M.","Synthesis and electronic properties of polycyclic aromatic hydrocarbons doped with phosphorus and sulfur.","Dalton transactions (Cambridge, England : 2003)","2016","45","5","1896","1903","10.1039/c5dt04154f","","","0.71069","MoKα","","0.0561","0.0406","","","0.1023","0.1206","","","","","","1.099","","","","has coordinates","176091","2020-10-21","18:00:00",""
"7037381","12.39","0.003","10.575","0.002","16.502","0.003","90","","106.96","0.03","90","","2068.1","0.8","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","2,4,6-tris(tert-butyl)-1,7-dichlorido-2,4,6-triazy-1,3,5,7-triseleny-[7]catena","","- C12 H27 Cl2 N3 Se4 -","- C12 H27 Cl2 N3 Se4 -","- C48 H108 Cl8 N12 Se16 -","4","1","","Karhu, Aino J.; Pakkanen, Olli J.; Rautiainen, J. Mikko; Oilunkaniemi, Raija; Chivers, Tristram; Laitinen, Risto S.","The role of imidoselenium(ii) chlorides in the formation of cyclic selenium imides via cyclocondensation.","Dalton transactions (Cambridge, England : 2003)","2016","45","14","6210","6221","10.1039/c5dt04236d","","","0.71073","MoKα","","0.0524","0.04","","","0.088","0.094","","","","","","1.061","","","","has coordinates","181711","2020-10-21","18:00:00",""
"7037382","10.972","0.002","12.07","0.002","15.887","0.003","90","","90","","90","","2103.9","0.7","120","2","120","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","2,4,6-tris(tert-butyl)-1,7-dichlorido-2,4,6-triazy-1,3,5,7-tetraseleny-[7]catena","","- C12 H27 Cl2 N3 Se4 -","- C12 H27 Cl2 N3 Se4 -","- C48 H108 Cl8 N12 Se16 -","4","1","","Karhu, Aino J.; Pakkanen, Olli J.; Rautiainen, J. Mikko; Oilunkaniemi, Raija; Chivers, Tristram; Laitinen, Risto S.","The role of imidoselenium(ii) chlorides in the formation of cyclic selenium imides via cyclocondensation.","Dalton transactions (Cambridge, England : 2003)","2016","45","14","6210","6221","10.1039/c5dt04236d","","","0.71073","MoKα","","0.0286","0.0261","","","0.0576","0.059","","","","","","1.034","","","","has coordinates","181711","2020-10-21","18:00:00",""
"7037383","13.627","0.003","14.72","0.003","18.67","0.004","90","","101.52","0.03","90","","3669.6","1.4","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","dichlorido(tert-butyl tetraselenium triimide)palladium-dichlorido{(2-tert-butyl)-1,3-dichlorido-2-azy-1,3-diseleny-[2]caten}palladium-acetonitrile(1/1/1)","","- C18 H39 Cl6 N5 Pd2 Se6 -","- C18 H39 Cl6 N5 Pd2 Se6 -","- C72 H156 Cl24 N20 Pd8 Se24 -","4","1","","Karhu, Aino J.; Pakkanen, Olli J.; Rautiainen, J. Mikko; Oilunkaniemi, Raija; Chivers, Tristram; Laitinen, Risto S.","The role of imidoselenium(ii) chlorides in the formation of cyclic selenium imides via cyclocondensation.","Dalton transactions (Cambridge, England : 2003)","2016","45","14","6210","6221","10.1039/c5dt04236d","","","0.71073","MoKα","","0.0789","0.0515","","","0.1075","0.1231","","","","","","1.035","","","","has coordinates","181711","2020-10-21","18:00:00",""
"7037384","10.9015","0.0002","11.5144","0.0002","14.4136","0.0003","90","","99.328","0.002","90","","1785.33","0.06","100","2","100","2","","","","","","","","6","P 1 2/n 1","-P 2yac","13","","","","- C28 H28 Cl4 Cu2 N4 O12 -","- C28 H28 Cl4 Cu2 N4 O12 -","- C56 H56 Cl8 Cu4 N8 O24 -","2","0.5","","Kitos, Alexandros A.; Efthymiou, Constantinos G.; Manos, Manolis J.; Tasiopoulos, Anastasios J.; Nastopoulos, Vassilios; Escuer, Albert; Perlepes, Spyros P.","Interesting copper(ii)-assisted transformations of 2-acetylpyridine and 2-benzoylpyridine.","Dalton transactions (Cambridge, England : 2003)","2016","45","3","1063","1077","10.1039/c5dt03912f","","","0.71073","MoKα","","0.0444","0.0388","","","0.0994","0.1024","","","","","","1.093","","","","has coordinates","176043","2020-10-21","18:00:00",""
"7037385","18.5412","0.0005","10.7733","0.0003","20.6281","0.0005","90","","100.364","0.003","90","","4053.23","0.19","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C30 H26 Cl10 Cu2 N4 O10 -","- C30 H26 Cl10 Cu2 N4 O10 -","- C120 H104 Cl40 Cu8 N16 O40 -","4","1","","Kitos, Alexandros A.; Efthymiou, Constantinos G.; Manos, Manolis J.; Tasiopoulos, Anastasios J.; Nastopoulos, Vassilios; Escuer, Albert; Perlepes, Spyros P.","Interesting copper(ii)-assisted transformations of 2-acetylpyridine and 2-benzoylpyridine.","Dalton transactions (Cambridge, England : 2003)","2016","45","3","1063","1077","10.1039/c5dt03912f","","","0.71073","MoKα","","0.0731","0.0559","","","0.1451","0.1593","","","","","","1.046","","","","has coordinates","176043","2020-10-21","18:00:00",""
"7037386","14.9187","0.0003","15.1684","0.0004","23.0231","0.0005","90","","90.537","0.002","90","","5209.7","0.2","100","2","100","2","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C51 H46 Cl2 Cu2 N4 O15 -","- C51 H45 Cl2 Cu2 N4 O15 -","- C204 H180 Cl8 Cu8 N16 O60 -","4","0.5","","Kitos, Alexandros A.; Efthymiou, Constantinos G.; Manos, Manolis J.; Tasiopoulos, Anastasios J.; Nastopoulos, Vassilios; Escuer, Albert; Perlepes, Spyros P.","Interesting copper(ii)-assisted transformations of 2-acetylpyridine and 2-benzoylpyridine.","Dalton transactions (Cambridge, England : 2003)","2016","45","3","1063","1077","10.1039/c5dt03912f","","","0.71073","MoKα","","0.0778","0.0677","","","0.1936","0.2059","","","","","","1.051","","","","has coordinates","176043","2020-10-21","18:00:00",""
"7037387","11.7946","0.0002","17.9549","0.0003","13.2815","0.0002","90","","107.407","0.002","90","","2683.83","0.08","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C52 H48 Cu4 N8 O20 -","- C52 H48 Cu4 N8 O20 -","- C104 H96 Cu8 N16 O40 -","2","0.5","","Kitos, Alexandros A.; Efthymiou, Constantinos G.; Manos, Manolis J.; Tasiopoulos, Anastasios J.; Nastopoulos, Vassilios; Escuer, Albert; Perlepes, Spyros P.","Interesting copper(ii)-assisted transformations of 2-acetylpyridine and 2-benzoylpyridine.","Dalton transactions (Cambridge, England : 2003)","2016","45","3","1063","1077","10.1039/c5dt03912f","","","0.71073","MoKα","","0.0402","0.0312","","","0.0658","0.0695","","","","","","1.06","","","","has coordinates","176043","2020-10-21","18:00:00",""
"7037388","10.8067","0.0001","17.0394","0.0003","17.1831","0.0002","90","","90.295","0.001","90","","3164.05","0.07","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C30 H34 Cu2 N4 O11 -","- C30 H34 Cu2 N4 O11 -","- C120 H136 Cu8 N16 O44 -","4","1","","Kitos, Alexandros A.; Efthymiou, Constantinos G.; Manos, Manolis J.; Tasiopoulos, Anastasios J.; Nastopoulos, Vassilios; Escuer, Albert; Perlepes, Spyros P.","Interesting copper(ii)-assisted transformations of 2-acetylpyridine and 2-benzoylpyridine.","Dalton transactions (Cambridge, England : 2003)","2016","45","3","1063","1077","10.1039/c5dt03912f","","","0.71073","MoKα","","0.0496","0.0361","","","0.0781","0.0842","","","","","","1.057","","","","has coordinates","176043","2020-10-21","18:00:00",""
"7037389","8.1588","0.0002","10.3914","0.0003","20.3706","0.0005","90","","98.962","0.002","90","","1705.96","0.08","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H28 Cu2 N8 O16 -","- C28 H28 Cu2 N8 O16 -","- C56 H56 Cu4 N16 O32 -","2","0.5","","Kitos, Alexandros A.; Efthymiou, Constantinos G.; Manos, Manolis J.; Tasiopoulos, Anastasios J.; Nastopoulos, Vassilios; Escuer, Albert; Perlepes, Spyros P.","Interesting copper(ii)-assisted transformations of 2-acetylpyridine and 2-benzoylpyridine.","Dalton transactions (Cambridge, England : 2003)","2016","45","3","1063","1077","10.1039/c5dt03912f","","","0.71073","MoKα","","0.0388","0.0317","","","0.0731","0.0768","","","","","","1.07","","","","has coordinates,has disorder","176043","2020-10-21","18:00:00",""
"7037390","15.868","0.003","7.6345","0.0015","13.226","0.003","90","","90","","90","","1602.3","0.6","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C10 H20 Bi Cl3 O5 -","- C10 H20 Bi Cl3 O5 -","- C40 H80 Bi4 Cl12 O20 -","4","1","","Ye, Qiong; Wang, Hui-Ting; Zhou, Lin; Kong, Li-Hui; Ye, Heng-Yun; Fu, Da-Wei; Zhang, Yi","Phase transition metal-crown ether coordination compounds tuned by metal ions.","Dalton transactions (Cambridge, England : 2003)","2016","45","3","1000","1006","10.1039/c5dt02631h","","","0.71073","MoKα","","0.0582","0.0453","","","0.0984","0.1606","","","","","","1.03","","","","has coordinates","176045","2020-10-21","18:00:00",""
"7037391","16.212","0.011","7.772","0.005","13.389","0.009","90","","90","","90","","1687","1.9","293","2","293","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C10 H20 Bi Cl3 O5 -","- C10 H20 Bi Cl3 O5 -","- C40 H80 Bi4 Cl12 O20 -","4","1","","Ye, Qiong; Wang, Hui-Ting; Zhou, Lin; Kong, Li-Hui; Ye, Heng-Yun; Fu, Da-Wei; Zhang, Yi","Phase transition metal-crown ether coordination compounds tuned by metal ions.","Dalton transactions (Cambridge, England : 2003)","2016","45","3","1000","1006","10.1039/c5dt02631h","","","0.71073","MoKα","","0.0895","0.067","","","0.1686","0.1926","","","","","","1.064","","","","has coordinates","176045","2020-10-21","18:00:00",""
"7037392","15.977","0.003","7.6969","0.0015","12.904","0.003","90","","90","","90","","1586.8","0.6","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C10 H20 Cl3 O5 Sb -","- C10 H20 Cl3 O5 Sb -","- C40 H80 Cl12 O20 Sb4 -","4","1","","Ye, Qiong; Wang, Hui-Ting; Zhou, Lin; Kong, Li-Hui; Ye, Heng-Yun; Fu, Da-Wei; Zhang, Yi","Phase transition metal-crown ether coordination compounds tuned by metal ions.","Dalton transactions (Cambridge, England : 2003)","2016","45","3","1000","1006","10.1039/c5dt02631h","","","0.71073","MoKα","","0.0315","0.0261","","","0.0719","0.0738","","","","","","1.183","","","","has coordinates","176045","2020-10-21","18:00:00",""
"7037393","15.965","0.009","7.6919","0.0008","13.28","0.005","90","","90","","90","","1630.8","1.1","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C10 H20 Bi Cl3 O5 -","- C9.07 H18.14 Bi0.9 Cl2.75 O4.61 -","- C36.28 H72.56 Bi3.6 Cl11 O18.44 -","4","1","","Ye, Qiong; Wang, Hui-Ting; Zhou, Lin; Kong, Li-Hui; Ye, Heng-Yun; Fu, Da-Wei; Zhang, Yi","Phase transition metal-crown ether coordination compounds tuned by metal ions.","Dalton transactions (Cambridge, England : 2003)","2016","45","3","1000","1006","10.1039/c5dt02631h","","","0.71073","MoKα","","0.0593","0.0462","","","0.1008","0.1062","","","","","","1.048","","","","has coordinates","176045","2020-10-21","18:00:00",""
"7037394","15.931","0.007","7.638","0.003","12.798","0.005","90","","90","","90","","1557.3","1.1","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C10 H20 Cl3 O5 Sb -","- C10 H20 Cl3 O5 Sb -","- C40 H80 Cl12 O20 Sb4 -","4","1","","Ye, Qiong; Wang, Hui-Ting; Zhou, Lin; Kong, Li-Hui; Ye, Heng-Yun; Fu, Da-Wei; Zhang, Yi","Phase transition metal-crown ether coordination compounds tuned by metal ions.","Dalton transactions (Cambridge, England : 2003)","2016","45","3","1000","1006","10.1039/c5dt02631h","","","0.71073","MoKα","","0.0217","0.0196","","","0.0429","0.0439","","","","","","0.875","","","","has coordinates","176045","2020-10-21","18:00:00",""
"7037395","15.986","0.006","7.691","0.003","12.876","0.005","90","","90","","90","","1583.1","1.1","273","2","273","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C10 H20 Cl3 O5 Sb -","- C10 H20 Cl3 O5 Sb -","- C40 H80 Cl12 O20 Sb4 -","4","1","","Ye, Qiong; Wang, Hui-Ting; Zhou, Lin; Kong, Li-Hui; Ye, Heng-Yun; Fu, Da-Wei; Zhang, Yi","Phase transition metal-crown ether coordination compounds tuned by metal ions.","Dalton transactions (Cambridge, England : 2003)","2016","45","3","1000","1006","10.1039/c5dt02631h","","","0.71073","MoKα","","0.0299","0.026","","","0.0614","0.0801","","","","","","1.164","","","","has coordinates","176045","2020-10-21","18:00:00",""
"7037396","19.0419","0.0013","25.0831","0.0005","16.039","0.0003","90","","113.223","0.008","90","","7040","0.7","85","2","85","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C34.38 H31.75 Cl0.75 Fe N O P2 S2 -","- C34.375 H31.75 Cl0.75 Fe N O P2 S2 -","- C275 H254 Cl6 Fe8 N8 O8 P16 S16 -","8","2","","Eady, Shawn C.; Breault, Tanya; Thompson, Levi; Lehnert, Nicolai","Highly functionalizable penta-coordinate iron hydrogen production catalysts with low overpotentials.","Dalton transactions (Cambridge, England : 2003)","2016","45","3","1138","1151","10.1039/c5dt03744a","","","1.54178","CuKα","","0.1103","0.0941","","","0.2589","0.2815","","","","","","1.074","","","","has coordinates,has disorder","176047","2020-10-21","18:00:00",""
"7037397","9.9659","0.0002","10.6078","0.0002","17.0402","0.0012","85.66","0.006","85.253","0.006","65.146","0.005","1627.31","0.14","85","2","85","2","","","","","","","","8","P -1","-P 1","2","","","","- C38 H30 F Fe N O P2 S2 -","- C38 H30 F Fe N O P2 S2 -","- C76 H60 F2 Fe2 N2 O2 P4 S4 -","2","1","","Eady, Shawn C.; Breault, Tanya; Thompson, Levi; Lehnert, Nicolai","Highly functionalizable penta-coordinate iron hydrogen production catalysts with low overpotentials.","Dalton transactions (Cambridge, England : 2003)","2016","45","3","1138","1151","10.1039/c5dt03744a","","","1.54178","CuKα","","0.0344","0.0336","","","0.0926","0.0936","","","","","","1.123","","","","has coordinates","176047","2020-10-21","18:00:00",""
"7037398","9.8105","0.0016","18.093","0.003","18.118","0.003","90","","90.131","0.006","90","","3216","0.9","85","2","85","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C34 H31 Co N O P2 S2 -","- C34 H31 Co N O P2 S2 -","- C136 H124 Co4 N4 O4 P8 S8 -","4","1","","Eady, Shawn C.; Breault, Tanya; Thompson, Levi; Lehnert, Nicolai","Highly functionalizable penta-coordinate iron hydrogen production catalysts with low overpotentials.","Dalton transactions (Cambridge, England : 2003)","2016","45","3","1138","1151","10.1039/c5dt03744a","","","1.54178","CuKα","","0.0514","0.0467","","","0.1293","0.1318","","","","","","1.14","","","","has coordinates","176047","2020-10-21","18:00:00",""
"7037401","13.053","0.008","8.067","0.005","23.754","0.011","90","","117.71","0.02","90","","2214","2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C42 H40 N8 O11 Zn2 -","- C42 H40 N8 O11 Zn2 -","- C84 H80 N16 O22 Zn4 -","2","0.5","","Liang, Yue; Yuan, Wei-Guan; Zhang, Shu-Fang; He, Zhan; Xue, Junru; Zhang, Xia; Jing, Lin-Hai; Qin, Da-Bin","Hydrothermal synthesis and structural characterization of metal-organic frameworks based on new tetradentate ligands.","Dalton transactions (Cambridge, England : 2003)","2016","45","4","1382","1390","10.1039/c5dt03658e","","","0.71073","MoKα","","0.0561","0.0402","","","0.1008","0.1088","","","","","","1.036","","","","has coordinates","176019","2020-10-21","18:00:00",""
"7037402","17.811","0.008","19.155","0.008","14.683","0.006","90","","90","","90","","5009","4","296","2","296","2","","","","","","","","5","C 2 2 21","C 2c 2","20","","","","- C49 H48 Cd2 N8 O12 -","- C49 H44 Cd2 N8 O12 -","- C196 H176 Cd8 N32 O48 -","4","0.5","","Liang, Yue; Yuan, Wei-Guan; Zhang, Shu-Fang; He, Zhan; Xue, Junru; Zhang, Xia; Jing, Lin-Hai; Qin, Da-Bin","Hydrothermal synthesis and structural characterization of metal-organic frameworks based on new tetradentate ligands.","Dalton transactions (Cambridge, England : 2003)","2016","45","4","1382","1390","10.1039/c5dt03658e","","","0.71073","MoKα","","0.0551","0.0459","","","0.1213","0.1301","","","","","","1.036","","","","has coordinates","176019","2020-10-21","18:00:00",""
"7037403","14.4417","0.0003","23.1157","0.0008","25.9453","0.001","114.309","0.004","100.856","0.003","97.74","0.002","7531.1","0.5","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C61 H52 Co2 N8 O12 -","- C61 H52 Co2 N8 O12 -","- C244 H208 Co8 N32 O48 -","4","2","","Liang, Yue; Yuan, Wei-Guan; Zhang, Shu-Fang; He, Zhan; Xue, Junru; Zhang, Xia; Jing, Lin-Hai; Qin, Da-Bin","Hydrothermal synthesis and structural characterization of metal-organic frameworks based on new tetradentate ligands.","Dalton transactions (Cambridge, England : 2003)","2016","45","4","1382","1390","10.1039/c5dt03658e","","","0.71073","MoKα","","0.1136","0.0845","","","0.1746","0.1856","","","","","","1.069","","","","has coordinates,has disorder","176019","2020-10-21","18:00:00",""
"7037404","12.4754","0.0006","12.4754","0.0006","12.4754","0.0006","90","","90","","90","","1941.62","0.16","296","2","296","2","","","","","","","","5","I m -3","-I 2 2 3","204","","","","- C H6 Cl Dy3 O9 -","- C H6 Cl1.005 Dy3 O9 -","- C8 H48 Cl8.04 Dy24 O72 -","8","0.166667","","Wang, Yanyan; Han, Tian; Ding, You-Song; Zheng, Zhiping; Zheng, Yan-Zhen","Sodalite-like rare-earth carbonates: a study of structural transformation and diluted magnetism.","Dalton transactions (Cambridge, England : 2003)","2016","45","3","1103","1110","10.1039/c5dt03314d","","","0.71073","MoKα","","0.0401","0.0395","","","0.1005","0.101","","","","","","0.989","","","","has coordinates","176048","2020-10-21","18:00:00",""
"7037405","12.4127","0.0004","12.4127","0.0004","12.4127","0.0004","90","","90","","90","","1912.49","0.11","296","2","296","2","","","","","","","","5","I m -3 m","-I 4 2 3","229","","","","- C H6 Cl Er3 O9 -","- C H6 Cl1.005 Er3 O9 -","- C8 H48 Cl8.04 Er24 O72 -","8","0.0833333","","Wang, Yanyan; Han, Tian; Ding, You-Song; Zheng, Zhiping; Zheng, Yan-Zhen","Sodalite-like rare-earth carbonates: a study of structural transformation and diluted magnetism.","Dalton transactions (Cambridge, England : 2003)","2016","45","3","1103","1110","10.1039/c5dt03314d","","","0.71073","MoKα","","0.0553","0.049","","","0.1261","0.1313","","","","","","1.115","","","","has coordinates","176048","2020-10-21","18:00:00",""
"7037406","12.665","0.009","12.665","0.009","12.665","0.009","90","","90","","90","","2031","3","296","2","296","2","","","","","","","","5","I m -3 m","-I 4 2 3","229","","","","- C H6 Cl O9 Y3 -","- C H6 Cl1.005 O9 Y3 -","- C8 H48 Cl8.04 O72 Y24 -","8","0.0833333","","Wang, Yanyan; Han, Tian; Ding, You-Song; Zheng, Zhiping; Zheng, Yan-Zhen","Sodalite-like rare-earth carbonates: a study of structural transformation and diluted magnetism.","Dalton transactions (Cambridge, England : 2003)","2016","45","3","1103","1110","10.1039/c5dt03314d","","","0.71073","MoKα","","0.0884","0.0701","","","0.1868","0.2061","","","","","","1.117","","","","has coordinates","176048","2020-10-21","18:00:00",""
"7037407","16.64","0.03","16.64","0.03","10.217","0.019","90","","90","","120","","2450","8","296","2","296","2","","","","","","","","3","R -3 :H","-R 3","148","","","","- Cl Dy3 O4 -","- Cl Dy3 O4 -","- Cl18 Dy54 O72 -","18","1","","Wang, Yanyan; Han, Tian; Ding, You-Song; Zheng, Zhiping; Zheng, Yan-Zhen","Sodalite-like rare-earth carbonates: a study of structural transformation and diluted magnetism.","Dalton transactions (Cambridge, England : 2003)","2016","45","3","1103","1110","10.1039/c5dt03314d","","","0.71073","MoKα","","0.2356","0.0927","","","0.2245","0.3476","","","","","","0.95","","","","has coordinates","176048","2020-10-21","18:00:00",""
"7037411","28.363","","17.009","","15.655","","90","","90","","90","","7552.38","","173","2","173","2","","","","","","","","5","P b a n","-P 2ab 2b","50","","","","- C50 H40 N6 O11 Tb -","- C50 H40 N6 O11 Tb -","- C200 H160 N24 O44 Tb4 -","4","","","Zhu, Yi-Xuan; Wei, Zhang-Wen; Pan, Mei; Wang, Hai-Ping; Zhang, Jian-Yong; Su, Cheng-Yong","A new TPE-based tetrapodal ligand and its Ln(iii) complexes: multi-stimuli responsive AIE (aggregation-induced emission)/ILCT(intraligand charge transfer)-bifunctional photoluminescence and NIR emission sensitization.","Dalton transactions (Cambridge, England : 2003)","2016","45","3","943","950","10.1039/c5dt03640b","","","1.54184","CuKα","","0.1388","0.0831","","","0.2204","0.2464","","","","","","0.946","","","","has coordinates,has disorder","176049","2020-10-21","18:00:00",""
"7037414","5.5221","0.0009","14.646","0.002","9.6251","0.0015","90","","97.844","0.006","90","","771.2","0.2","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C19 H16 N4 -","- C19 H16 N4 -","- C38 H32 N8 -","2","1","","Schorn, W.; Grosse-Hagenbrock, D; Oelkers, B.; Sundermeyer, J.","Formazanido complexes of heavier group 13 elements aluminium, gallium, and indium.","Dalton transactions (Cambridge, England : 2003)","2016","45","3","1201","1207","10.1039/c5dt03906a","","","0.71073","MoKα","","0.0916","0.0575","","","0.1403","0.1582","","","","","","1.028","","","","has coordinates","176054","2020-10-21","18:00:00",""
"7037415","16.9585","0.0008","10.4646","0.0005","15.202","0.0007","90","","104.804","0.002","90","","2608.3","0.2","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C28 H31 In N6 -","- C28 H31 In N6 -","- C112 H124 In4 N24 -","4","1","","Schorn, W.; Grosse-Hagenbrock, D; Oelkers, B.; Sundermeyer, J.","Formazanido complexes of heavier group 13 elements aluminium, gallium, and indium.","Dalton transactions (Cambridge, England : 2003)","2016","45","3","1201","1207","10.1039/c5dt03906a","","","0.71073","MoKα","","0.0232","0.0185","","","0.0442","0.0462","","","","","","1.058","","","","has coordinates","176054","2020-10-21","18:00:00",""
"7037426","13.171","0.0016","15.823","0.002","38.136","0.005","90","","98.969","0.002","90","","7850.5","1.7","210","2","210","2","","","","","","","","9","P 1 21/n 1","-P 2yn","14","","","","- C61 H61 Cl19 F4 Ir N2 O3 P3 Si -","- C61 H61 Cl19 F4 Ir N2 O3 P3 Si -","- C244 H244 Cl76 F16 Ir4 N8 O12 P12 Si4 -","4","1","","Passarelli, Vincenzo; Pérez-Torrente, Jesús J; Oro, Luis A.","En route to phosphonato iridium(i) complexes: the decisive effect of an intramolecular hydrogen bond.","Dalton transactions (Cambridge, England : 2003)","2016","45","3","951","962","10.1039/c5dt04038h","","","0.71073","MoKα","","0.0756","0.0504","","","0.1269","0.1397","","","","","","1.029","","","","has coordinates,has disorder","176057","2020-10-21","18:00:00",""
"7037427","10.2012","0.0005","11.3266","0.0005","21.6766","0.001","81.343","0.001","87.576","0.001","76.032","0.001","2402.82","0.19","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C53 H48 Cl3 F4 Ir N2 P2 Si -","- C53 H48 Cl3 F4 Ir N2 P2 Si -","- C106 H96 Cl6 F8 Ir2 N4 P4 Si2 -","2","1","","Passarelli, Vincenzo; Pérez-Torrente, Jesús J; Oro, Luis A.","En route to phosphonato iridium(i) complexes: the decisive effect of an intramolecular hydrogen bond.","Dalton transactions (Cambridge, England : 2003)","2016","45","3","951","962","10.1039/c5dt04038h","","","0.71073","MoKα","","0.0355","0.028","","","0.0559","0.0591","","","","","","1.03","","","","has coordinates,has disorder","176057","2020-10-21","18:00:00",""
"7037428","12.7613","0.0017","14.3574","0.0019","15.256","0.002","65.898","0.002","70.205","0.002","81.373","0.002","2400.5","0.6","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C56 H56 Cl F4 Ir N2 P2 -","- C50 H42 Cl F4 Ir N2 P2 -","- C100 H84 Cl2 F8 Ir2 N4 P4 -","2","1","","Passarelli, Vincenzo; Pérez-Torrente, Jesús J; Oro, Luis A.","En route to phosphonato iridium(i) complexes: the decisive effect of an intramolecular hydrogen bond.","Dalton transactions (Cambridge, England : 2003)","2016","45","3","951","962","10.1039/c5dt04038h","","","0.71073","MoKα","","0.0459","0.0336","","","0.0664","0.0706","","","","","","0.985","","","","has coordinates","176057","2020-10-21","18:00:00",""
"7037429","11.316","0.003","12.46","0.003","18.79","0.005","84.494","0.003","76.042","0.003","64.907","0.003","2328.4","1","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C52 H48 F4 Ir N2 O3 P3 -","- C52 H48 F4 Ir N2 O3 P3 -","- C104 H96 F8 Ir2 N4 O6 P6 -","2","1","","Passarelli, Vincenzo; Pérez-Torrente, Jesús J; Oro, Luis A.","En route to phosphonato iridium(i) complexes: the decisive effect of an intramolecular hydrogen bond.","Dalton transactions (Cambridge, England : 2003)","2016","45","3","951","962","10.1039/c5dt04038h","","","0.71073","MoKα","","0.0274","0.025","","","0.0601","0.0612","","","","","","1.034","","","","has coordinates","176057","2020-10-21","18:00:00",""
"7037430","24.338","0.005","7.411","0.0015","10.578","0.002","90","","90","","90","","1907.9","0.7","293","2","293","2","","","","","","","","4","P c c n","-P 2ab 2ac","56","","","","- C21 H19 Fe2 Se2 -","- C21 H19 Fe2 Se2 -","- C84 H76 Fe8 Se8 -","4","0.5","","Ji, Wei; Qu, Jian; Jing, Su; Zhu, Dunru; Huang, Wei","Copper(i) halide clusters based upon ferrocenylchalcogenoether ligands: donors, halides and semi-rigidity effects on the geometry and catalytic activity.","Dalton transactions (Cambridge, England : 2003)","2016","45","3","1016","1024","10.1039/c5dt03993b","","","0.71073","MoKα","","0.0715","0.0528","","","0.1326","0.1434","","","","","","1.018","","","","has coordinates","176058","2020-10-21","18:00:00",""
"7037431","15.997","0.018","5.781","0.007","13.752","0.015","90","","107.969","0.013","90","","1210","2","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C28 H26 Fe2 Se2 -","- C28 H26 Fe2 Se2 -","- C56 H52 Fe4 Se4 -","2","0.5","","Ji, Wei; Qu, Jian; Jing, Su; Zhu, Dunru; Huang, Wei","Copper(i) halide clusters based upon ferrocenylchalcogenoether ligands: donors, halides and semi-rigidity effects on the geometry and catalytic activity.","Dalton transactions (Cambridge, England : 2003)","2016","45","3","1016","1024","10.1039/c5dt03993b","","","0.71073","MoKα","","0.0535","0.0406","","","0.1152","0.1228","","","","","","1.003","","","","has coordinates","176058","2020-10-21","18:00:00",""
"7037432","13.456","0.003","11.633","0.002","17.822","0.003","90","","95.547","0.002","90","","2776.7","0.9","296","2","296","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C44 H42 Cu4 Fe4 I4 N2 Te4 -","- C44 H42 Cu4 Fe4 I4 N2 Te4 -","- C88 H84 Cu8 Fe8 I8 N4 Te8 -","2","0.5","","Ji, Wei; Qu, Jian; Jing, Su; Zhu, Dunru; Huang, Wei","Copper(i) halide clusters based upon ferrocenylchalcogenoether ligands: donors, halides and semi-rigidity effects on the geometry and catalytic activity.","Dalton transactions (Cambridge, England : 2003)","2016","45","3","1016","1024","10.1039/c5dt03993b","","","0.71073","MoKα","","0.0265","0.0212","","","0.0492","0.0508","","","","","","1.041","","","","has coordinates","176058","2020-10-21","18:00:00",""
"7037433","7.4735","0.0009","11.6218","0.0014","13.8275","0.0016","104.71","0.001","100.607","0.001","96.298","0.001","1126.2","0.2","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C21 H20 Cu Fe2 I Te2 -","- C21 H20 Cu Fe2 I Te2 -","- C42 H40 Cu2 Fe4 I2 Te4 -","2","1","","Ji, Wei; Qu, Jian; Jing, Su; Zhu, Dunru; Huang, Wei","Copper(i) halide clusters based upon ferrocenylchalcogenoether ligands: donors, halides and semi-rigidity effects on the geometry and catalytic activity.","Dalton transactions (Cambridge, England : 2003)","2016","45","3","1016","1024","10.1039/c5dt03993b","","","0.71073","MoKα","","0.05","0.0456","","","0.0961","0.0986","","","","","","1.05","","","","has coordinates","176058","2020-10-21","18:00:00",""
"7037434","7.532","0.003","11.313","0.004","13.866","0.005","104.562","0.004","101.494","0.004","96.643","0.004","1103.4","0.7","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C21 H20 Br Cu Fe2 Te2 -","- C21 H20 Br Cu Fe2 Te2 -","- C42 H40 Br2 Cu2 Fe4 Te4 -","2","1","","Ji, Wei; Qu, Jian; Jing, Su; Zhu, Dunru; Huang, Wei","Copper(i) halide clusters based upon ferrocenylchalcogenoether ligands: donors, halides and semi-rigidity effects on the geometry and catalytic activity.","Dalton transactions (Cambridge, England : 2003)","2016","45","3","1016","1024","10.1039/c5dt03993b","","","0.71073","MoKα","","0.0548","0.0405","","","0.0989","0.1051","","","","","","1.074","","","","has coordinates","176058","2020-10-21","18:00:00",""
"7037435","7.219","0.002","11.326","0.003","14.135","0.004","106.724","0.003","101.129","0.003","93.864","0.003","1076.7","0.5","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C21 H20 Cu Fe2 I Se2 -","- C21 H20 Cu Fe2 I Se2 -","- C42 H40 Cu2 Fe4 I2 Se4 -","2","1","","Ji, Wei; Qu, Jian; Jing, Su; Zhu, Dunru; Huang, Wei","Copper(i) halide clusters based upon ferrocenylchalcogenoether ligands: donors, halides and semi-rigidity effects on the geometry and catalytic activity.","Dalton transactions (Cambridge, England : 2003)","2016","45","3","1016","1024","10.1039/c5dt03993b","","","0.71073","MoKα","","0.0509","0.0423","","","0.1042","0.1087","","","","","","1.068","","","","has coordinates","176058","2020-10-21","18:00:00",""
"7037436","16.987","0.006","16.987","0.006","16.186","0.011","90","","90","","90","","4671","4","293","2","293","2","","","","","","","","6","P 42 b c","P 4c -2ab","106","","","","- C21 H20 Cu2 Fe2 I2 Se2 -","- C21 H20 Cu2 Fe2 I2 Se2 -","- C168 H160 Cu16 Fe16 I16 Se16 -","8","1","","Ji, Wei; Qu, Jian; Jing, Su; Zhu, Dunru; Huang, Wei","Copper(i) halide clusters based upon ferrocenylchalcogenoether ligands: donors, halides and semi-rigidity effects on the geometry and catalytic activity.","Dalton transactions (Cambridge, England : 2003)","2016","45","3","1016","1024","10.1039/c5dt03993b","","","0.71073","MoKα","","0.1079","0.0573","","","0.1199","0.1409","","","","","","1.025","","","","has coordinates","176058","2020-10-21","18:00:00",""
"7037437","10.433","0.002","10.947","0.002","14.418","0.003","104.744","0.003","90.7","0.03","91.65","0.03","1591.5","0.5","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C30 H29 Cu2 Fe2 I2 N Se2 -","- C30 H29 Cu2 Fe2 I2 N Se2 -","- C60 H58 Cu4 Fe4 I4 N2 Se4 -","2","1","","Ji, Wei; Qu, Jian; Jing, Su; Zhu, Dunru; Huang, Wei","Copper(i) halide clusters based upon ferrocenylchalcogenoether ligands: donors, halides and semi-rigidity effects on the geometry and catalytic activity.","Dalton transactions (Cambridge, England : 2003)","2016","45","3","1016","1024","10.1039/c5dt03993b","","","0.71073","MoKα","","0.1086","0.0786","","","0.2026","0.2198","","","","","","1.046","","","","has coordinates","176058","2020-10-21","18:00:00",""
"7037438","17.5567","0.001","11.8858","0.0007","32.4529","0.0018","90","","96.671","0.001","90","","6726.3","0.7","296","2","296","2","","","","","","","","6","P 1 2/n 1","-P 2yac","13","","","","- C31 H43 Cl3 N2 O Si -","- C31 H43 Cl3 N2 O Si -","- C248 H344 Cl24 N16 O8 Si8 -","8","2","","Wang, Yuzhong; Xie, Yaoming; Wei, Pingrong; Schaefer, Henry F.; Robinson, Gregory H.","Abnormal carbene-silicon halide complexes.","Dalton transactions (Cambridge, England : 2003)","2016","45","14","5941","5944","10.1039/c5dt03894d","","","0.71073","MoKα","","0.138","0.0618","","","0.1509","0.1888","","","","","","1.015","","","","has coordinates","181715","2020-10-21","18:00:00",""
"7037439","11.77","0.002","18","0.003","17.322","0.003","90","","109.493","0.002","90","","3459.5","1","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C31 H44 Cl4 N2 O Si -","- C31 H44 Cl4 N2 O Si -","- C124 H176 Cl16 N8 O4 Si4 -","4","1","","Wang, Yuzhong; Xie, Yaoming; Wei, Pingrong; Schaefer, Henry F.; Robinson, Gregory H.","Abnormal carbene-silicon halide complexes.","Dalton transactions (Cambridge, England : 2003)","2016","45","14","5941","5944","10.1039/c5dt03894d","","","0.71073","MoKα","","0.1458","0.0654","","","0.1499","0.1938","","","","","","1.011","","","","has coordinates","181715","2020-10-21","18:00:00",""
"7037440","22.491","0.002","24.236","0.002","10.5002","0.001","90","","90","","90","","5723.6","0.9","100","2","100","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C55 H74 Cl6 N4 Si -","- C55 H74 Cl6 N4 Si -","- C220 H296 Cl24 N16 Si4 -","4","1","","Wang, Yuzhong; Xie, Yaoming; Wei, Pingrong; Schaefer, Henry F.; Robinson, Gregory H.","Abnormal carbene-silicon halide complexes.","Dalton transactions (Cambridge, England : 2003)","2016","45","14","5941","5944","10.1039/c5dt03894d","","","0.71073","MoKα","","0.0659","0.0499","","","0.1245","0.1365","","","","","","1.037","","","","has coordinates","181715","2020-10-21","18:00:00",""
"7037441","10.5786","0.00007","16.52575","0.00009","14.80544","0.00008","90","","95.7963","0.0006","90","","2575.04","0.03","150","0.2","150","0.2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C33 H25 O3 P -","- C33 H25 O3 P -","- C132 H100 O12 P4 -","4","2","","Fleming, James T.; Ficks, Arne; Waddell, Paul G.; Harrington, Ross W.; Higham, Lee J.","The design of second generation MOP-phosphonites: efficient chiral hydrosilylation of functionalised styrenes.","Dalton transactions (Cambridge, England : 2003)","2016","45","5","1886","1890","10.1039/c5dt04475h","","","1.54184","CuKα","","0.0303","0.0273","","","0.0645","0.0663","","","","","","1.049","","","","has coordinates,has disorder","176099","2020-10-21","18:00:00",""
"7037442","9.5367","0.0015","14.1786","0.0015","9.6102","0.0011","90","","107.242","0.014","90","","1241.1","0.3","150","0.2","150","0.2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C33 H23 O3 P -","- C33 H23 O3 P -","- C66 H46 O6 P2 -","2","1","","Fleming, James T.; Ficks, Arne; Waddell, Paul G.; Harrington, Ross W.; Higham, Lee J.","The design of second generation MOP-phosphonites: efficient chiral hydrosilylation of functionalised styrenes.","Dalton transactions (Cambridge, England : 2003)","2016","45","5","1886","1890","10.1039/c5dt04475h","","","0.71073","MoKα","","0.0903","0.0588","","","0.097","0.1099","","","","","","1.034","","","","has coordinates","176099","2020-10-21","18:00:00",""
"7037443","10.0618","0.0003","14.4757","0.0004","25.0065","0.001","90","","90","","90","","3642.2","0.2","150","0.2","150","0.2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C36 H28 Cl O2 P Pd -","- C36 H28 Cl O2 P Pd -","- C144 H112 Cl4 O8 P4 Pd4 -","4","1","","Fleming, James T.; Ficks, Arne; Waddell, Paul G.; Harrington, Ross W.; Higham, Lee J.","The design of second generation MOP-phosphonites: efficient chiral hydrosilylation of functionalised styrenes.","Dalton transactions (Cambridge, England : 2003)","2016","45","5","1886","1890","10.1039/c5dt04475h","","","0.71073","MoKα","","0.0388","0.0318","","","0.0709","0.0737","","","","","","1.01","","","","has coordinates","176099","2020-10-21","18:00:00",""
"7037444","11.4401","0.0002","16.7063","0.0003","16.3663","0.0003","90","","90.6112","0.0016","90","","3127.78","0.1","150.01","0.1","150.01","0.1","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C38 H32 Cl O2 P Pd -","- C38 H32 Cl O2 P Pd -","- C152 H128 Cl4 O8 P4 Pd4 -","4","2","","Fleming, James T.; Ficks, Arne; Waddell, Paul G.; Harrington, Ross W.; Higham, Lee J.","The design of second generation MOP-phosphonites: efficient chiral hydrosilylation of functionalised styrenes.","Dalton transactions (Cambridge, England : 2003)","2016","45","5","1886","1890","10.1039/c5dt04475h","","","0.71073","MoKα","","0.056","0.0355","","","0.0629","0.0708","","","","","","1.051","","","","has coordinates,has disorder","176099","2020-10-21","18:00:00",""
"7037445","9.1441","0.0006","9.8885","0.0006","13.5572","0.0008","83.875","0.002","81.588","0.002","67.831","0.003","1121.25","0.12","103","2","103","2","","","","","","","","6","P -1","-P 1","2","","","","- C24 H29 Cl N2 P Rh -","- C24 H29 Cl N2 P Rh -","- C48 H58 Cl2 N4 P2 Rh2 -","2","1","","Adam, Mohamed Shaker S.; Kindermann, Markus K.; Jones, Peter G.; Heinicke, Joachim W.","3H-1,3-Azaphospholo[4,5-b]pyridines - novel heterocyclic P,N-bridging or hybrid ligands: synthesis and first d(8)-transition metal complexes.","Dalton transactions (Cambridge, England : 2003)","2016","45","5","2261","2272","10.1039/c5dt04073f","","","0.71073","MoKα","","0.0176","0.0166","","","0.0422","0.0429","","","","","","1.039","","","","has coordinates","176063","2020-10-21","18:00:00",""
"7037446","27.727","0.003","16.625","0.002","23.302","0.003","90","","90.891","0.006","90","","10740","2","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C46 H78 Cl4 N4 O4.5 P2 Pd2 -","- C46 H78 Cl4 N4 O4.5 P2 Pd2 -","- C368 H624 Cl32 N32 O36 P16 Pd16 -","8","1","","Adam, Mohamed Shaker S.; Kindermann, Markus K.; Jones, Peter G.; Heinicke, Joachim W.","3H-1,3-Azaphospholo[4,5-b]pyridines - novel heterocyclic P,N-bridging or hybrid ligands: synthesis and first d(8)-transition metal complexes.","Dalton transactions (Cambridge, England : 2003)","2016","45","5","2261","2272","10.1039/c5dt04073f","","","0.71073","MoKα","","0.0782","0.0409","","","0.0803","0.0982","","","","","","1.179","","","","has coordinates,has disorder","176063","2020-10-21","18:00:00",""
"7037447","11.9584","0.0004","29.4872","0.0008","13.0738","0.0004","90","","115.816","0.005","90","","4150","0.3","100","2","100","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C34 H42 Cl4 D12 N4 O2 P2 Pd2 -","- C34 H54 Cl4 N4 O2 P2 Pd2 -","- C136 H216 Cl16 N16 O8 P8 Pd8 -","4","1","","Adam, Mohamed Shaker S.; Kindermann, Markus K.; Jones, Peter G.; Heinicke, Joachim W.","3H-1,3-Azaphospholo[4,5-b]pyridines - novel heterocyclic P,N-bridging or hybrid ligands: synthesis and first d(8)-transition metal complexes.","Dalton transactions (Cambridge, England : 2003)","2016","45","5","2261","2272","10.1039/c5dt04073f","","","0.71073","MoKα","","0.068","0.0304","","","0.0481","0.0516","","","","","","0.824","","","","has coordinates","176063","2020-10-21","18:00:00",""
"7037448","8.5594","0.0007","9.678","0.0008","16.4206","0.0013","101.959","0.004","92.199","0.004","109.528","0.004","1245.6","0.18","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C36 H54 Cl10 N4 P2 Pd3 -","- C36 H54 Cl10 N4 P2 Pd3 -","- C36 H54 Cl10 N4 P2 Pd3 -","1","0.5","","Adam, Mohamed Shaker S.; Kindermann, Markus K.; Jones, Peter G.; Heinicke, Joachim W.","3H-1,3-Azaphospholo[4,5-b]pyridines - novel heterocyclic P,N-bridging or hybrid ligands: synthesis and first d(8)-transition metal complexes.","Dalton transactions (Cambridge, England : 2003)","2016","45","5","2261","2272","10.1039/c5dt04073f","","","0.71073","MoKα","","0.0329","0.0248","","","0.0572","0.0612","","","","","","1.025","","","","has coordinates","176063","2020-10-21","18:00:00",""
"7037450","11.255","0.003","12.9","0.003","15.145","0.004","104.05","0.03","103.39","0.03","95.6","0.03","2047.4","1","180","2","180","2","","","","","","","","6","P -1","-P 1","2","","","","- C40 H56 Cl Lu N4 P2 -","- C40 H56 Cl Lu N4 P2 -","- C80 H112 Cl2 Lu2 N8 P4 -","2","1","","Rufanov, Konstantin A.; Pruß, Noa K; Sundermeyer, Jörg","Simple entry into N-tert-butyl-iminophosphonamide rare-earth metal alkyl and chlorido complexes.","Dalton transactions (Cambridge, England : 2003)","2016","45","4","1525","1538","10.1039/c5dt03721b","","","0.71073","MoKα","","0.0447","0.0398","","","0.0971","0.0991","","","","","","1.038","","","","has coordinates","176025","2020-10-21","18:00:00",""
"7037451","11.291","0.002","12.957","0.003","15.213","0.003","104.56","0.03","103.59","0.03","95.79","0.03","2063.4","0.9","200","2","200","2","","","","","","","","6","P -1","-P 1","2","bis-(NPNtBu)yttrium-chloride","bis(tert-butyl(N-(tert-butyl)-P,P-diphenylphosphorimidoyl)amino)yttrium chloride","","- C40 H56 Cl N4 P2 Y -","- C40 H56 Cl N4 P2 Y -","- C80 H112 Cl2 N8 P4 Y2 -","2","1","","Rufanov, Konstantin A.; Pruß, Noa K; Sundermeyer, Jörg","Simple entry into N-tert-butyl-iminophosphonamide rare-earth metal alkyl and chlorido complexes.","Dalton transactions (Cambridge, England : 2003)","2016","45","4","1525","1538","10.1039/c5dt03721b","","","0.71073","MoKα","","0.0685","0.0353","","","0.0645","0.0729","","","","","","0.852","","","","has coordinates","176025","2020-10-21","18:00:00",""
"7037452","18.4804","0.0006","10.7054","0.0003","22.8125","0.0008","90","","92.651","0.003","90","","4508.4","0.3","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","bis-(NPNtBu)yttrium-CH2TMS","bis(tert-butyl(N-(tert-butyl)-P,P-diphenylphosphorimidoyl)amino)((trimethylsilyl)methyl)yttrium","","- C44 H67 N4 P2 Si Y -","- C44 H67 N4 P2 Si Y -","- C176 H268 N16 P8 Si4 Y4 -","4","1","","Rufanov, Konstantin A.; Pruß, Noa K; Sundermeyer, Jörg","Simple entry into N-tert-butyl-iminophosphonamide rare-earth metal alkyl and chlorido complexes.","Dalton transactions (Cambridge, England : 2003)","2016","45","4","1525","1538","10.1039/c5dt03721b","","","0.71069","MoKα","","0.0846","0.0483","","","0.0882","0.0976","","","","","","0.936","","","","has coordinates","176025","2020-10-21","18:00:00",""
"7037453","12.8438","0.0004","14.023","0.0005","24.5137","0.0008","80.619","0.003","79.875","0.003","70.044","0.003","4060","0.2","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","tris-((tert-butyl(N-(tert-butyl)-P,P-diphenylphosphorimidoyl)amino)-(mu2-chlorido)scandium)mu3-oxo-mu3-chloride","","- C78 H84 Cl4 D18 N6 O P3 Sc3 -","- C78 H84 Cl4 D18 N6 O P3 Sc3 -","- C156 H168 Cl8 D36 N12 O2 P6 Sc6 -","2","1","","Rufanov, Konstantin A.; Pruß, Noa K; Sundermeyer, Jörg","Simple entry into N-tert-butyl-iminophosphonamide rare-earth metal alkyl and chlorido complexes.","Dalton transactions (Cambridge, England : 2003)","2016","45","4","1525","1538","10.1039/c5dt03721b","","","0.71069","MoKα","","0.107","0.0605","","","0.1432","0.1557","","","","","","0.808","","","","has coordinates","176025","2020-10-21","18:00:00",""
"7037454","18.4815","0.0007","10.6977","0.0003","23.0704","0.0009","90","","92.641","0.003","90","","4556.4","0.3","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","bis(tert-butyl(N-(tert-butyl)-P,P-diphenylphosphorimidoyl)amino)((trimethylsilyl)methylsamarium","","- C44 H67 N4 P2 Si Sm -","- C44 H67 N4 P2 Si Sm -","- C176 H268 N16 P8 Si4 Sm4 -","4","1","","Rufanov, Konstantin A.; Pruß, Noa K; Sundermeyer, Jörg","Simple entry into N-tert-butyl-iminophosphonamide rare-earth metal alkyl and chlorido complexes.","Dalton transactions (Cambridge, England : 2003)","2016","45","4","1525","1538","10.1039/c5dt03721b","","","0.71073","MoKα","","0.0734","0.0362","","","0.0685","0.0746","","","","","","0.761","","","","has coordinates","176025","2020-10-21","18:00:00",""
"7037455","18.4969","0.0014","10.7302","0.0005","23.1856","0.0016","90","","92.751","0.006","90","","4596.5","0.5","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","bis(tert-butyl(N-(tert-butyl)-P,P-diphenylphosphorimidoyl)amino)((trimethylsilyl)methyl)neodymium","","- C44 H67 N4 Nd P2 Si -","- C44 H67 N4 Nd P2 Si -","- C176 H268 N16 Nd4 P8 Si4 -","4","1","","Rufanov, Konstantin A.; Pruß, Noa K; Sundermeyer, Jörg","Simple entry into N-tert-butyl-iminophosphonamide rare-earth metal alkyl and chlorido complexes.","Dalton transactions (Cambridge, England : 2003)","2016","45","4","1525","1538","10.1039/c5dt03721b","","","0.71073","MoKα","","0.0427","0.034","","","0.0838","0.0856","","","","","","0.96","","","","has coordinates","176025","2020-10-21","18:00:00",""
"7037456","8.504","0.0008","13.6366","0.0015","18.682","0.002","108.03","0.013","90.073","0.012","102.751","0.012","2003.6","0.4","153","2","153","2","","","","","","","","4","P -1","-P 1","2","","","","- C50.5 H61 N O0.5 -","- C50.5 H61 N O0.5 -","- C101 H122 N2 O -","2","1","","Frey, Okko N.; Stalling, Timo; Schlüter, Florian; Saak, Wolfgang; Schmidtmann, Marc; Haase, Detlev; Beckhaus, Rüdiger","Remarkable stability of tetrabenzo[a,c,g,i]fluorenyl ammonium salts in water: syntheses, reactions, and crystal structures.","Dalton transactions (Cambridge, England : 2003)","2016","45","3","1085","1092","10.1039/c5dt04137f","","","0.71073","MoKα","","0.1221","0.058","","","0.1455","0.1642","","","","","","0.769","","","","has coordinates,has disorder","176051","2020-10-21","18:00:00",""
"7037457","9.4277","0.0005","15.4523","0.0008","19.9956","0.0011","90","","92.259","0.002","90","","2910.7","0.3","153","2","153","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C39 H41 N O0.5 -","- C39 H41 N O0.5 -","- C156 H164 N4 O2 -","4","1","","Frey, Okko N.; Stalling, Timo; Schlüter, Florian; Saak, Wolfgang; Schmidtmann, Marc; Haase, Detlev; Beckhaus, Rüdiger","Remarkable stability of tetrabenzo[a,c,g,i]fluorenyl ammonium salts in water: syntheses, reactions, and crystal structures.","Dalton transactions (Cambridge, England : 2003)","2016","45","3","1085","1092","10.1039/c5dt04137f","","","0.71073","MoKα","","0.0868","0.0554","","","0.1413","0.1723","","","","","","1.033","","","","has coordinates,has disorder","176051","2020-10-21","18:00:00",""
"7037458","17.3662","0.0005","17.7466","0.0006","19.2509","0.0006","90","","90","","90","","5933","0.3","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C42 H39 N -","- C42 H39 N -","- C336 H312 N8 -","8","2","","Frey, Okko N.; Stalling, Timo; Schlüter, Florian; Saak, Wolfgang; Schmidtmann, Marc; Haase, Detlev; Beckhaus, Rüdiger","Remarkable stability of tetrabenzo[a,c,g,i]fluorenyl ammonium salts in water: syntheses, reactions, and crystal structures.","Dalton transactions (Cambridge, England : 2003)","2016","45","3","1085","1092","10.1039/c5dt04137f","","","0.71073","MoKα","","0.0623","0.0408","","","0.0781","0.0861","","","","","","1.067","","","","has coordinates","176051","2020-10-21","18:00:00",""
"7037459","10.059","0.0003","11.4457","0.0003","11.6474","0.0003","107.847","0.002","111.646","0.002","92.073","0.002","1169.45","0.06","153","2","153","2","","","","","","","","2","P -1","-P 1","2","","","","- C36 H24 -","- C36 H24 -","- C72 H48 -","2","1","","Frey, Okko N.; Stalling, Timo; Schlüter, Florian; Saak, Wolfgang; Schmidtmann, Marc; Haase, Detlev; Beckhaus, Rüdiger","Remarkable stability of tetrabenzo[a,c,g,i]fluorenyl ammonium salts in water: syntheses, reactions, and crystal structures.","Dalton transactions (Cambridge, England : 2003)","2016","45","3","1085","1092","10.1039/c5dt04137f","","","0.71073","MoKα","","0.1207","0.0506","","","0.1069","0.1332","","","","","","0.99","","","","has coordinates","176051","2020-10-21","18:00:00",""
"7037465","13.7685","0.0019","13.7685","0.0019","22.892","0.005","90","","90","","120","","3758.3","1.1","293","2","293","2","","","","","","","","5","P 31 2 1","P 31 2""","152","","","","- C18 H14 N O8 Tb -","- C16 H6 O8 Tb -","- C96 H36 O48 Tb6 -","6","1","","Zhao, Xiao-Lin; Tian, Dan; Gao, Qiang; Sun, Hong-Wei; Xu, Jian; Bu, Xian-He","A chiral lanthanide metal-organic framework for selective sensing of Fe(iii) ions.","Dalton transactions (Cambridge, England : 2003)","2016","45","3","1040","1046","10.1039/c5dt03283k","","","0.71073","MoKα","","0.0543","0.0418","","","0.0722","0.0754","","","","","","1.06","","","","has coordinates","176050","2020-10-21","18:00:00",""
"7037466","13.797","0.002","13.797","0.002","22.938","0.005","90","","90","","120","","3781.4","1.1","293","2","293","2","","","","","","","","5","P 32 2 1","P 32 2""","154","","","","- C18 H14 N O8 Tb -","- C16 H6 O8 Tb -","- C96 H36 O48 Tb6 -","6","1","","Zhao, Xiao-Lin; Tian, Dan; Gao, Qiang; Sun, Hong-Wei; Xu, Jian; Bu, Xian-He","A chiral lanthanide metal-organic framework for selective sensing of Fe(iii) ions.","Dalton transactions (Cambridge, England : 2003)","2016","45","3","1040","1046","10.1039/c5dt03283k","","","0.71073","MoKα","","0.0488","0.038","","","0.0636","0.066","","","","","","1.089","","","","has coordinates","176050","2020-10-21","18:00:00",""
"7037469","11.434","0.004","12.41","0.004","15.945","0.005","101.701","0.005","90.287","0.006","100.396","0.006","2177.1","1.2","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C62 H80 N24 O44 P6 Zn3 -","- C62 H80 N24 O44 P6 Zn3 -","- C62 H80 N24 O44 P6 Zn3 -","1","0.5","","Suriya Narayanan, Ramakirushnan; Chandrasekhar, Vadapalli","Molecular, 1D and 2D assemblies from hexakis(3-pyridyloxy)cyclophosphazene containing 20-membered metallamacrocyclic motifs.","Dalton transactions (Cambridge, England : 2003)","2016","45","5","2273","2283","10.1039/c5dt03537f","","","0.71069","MoKα","","0.0979","0.0802","","","0.2265","0.2502","","","","","","1.057","","","","has coordinates,has disorder","176065","2020-10-21","18:00:00",""
"7037470","11.827","0.004","12.597","0.004","16.144","0.006","70.09","0.006","84.713","0.006","80.116","0.006","2226.4","1.3","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C62 H71 Cu N25 O42.92 P6 Zn2 -","- C62 H71 Cu N25 O42.916 P6 Zn2 -","- C62 H71 Cu N25 O42.916 P6 Zn2 -","1","0.5","","Suriya Narayanan, Ramakirushnan; Chandrasekhar, Vadapalli","Molecular, 1D and 2D assemblies from hexakis(3-pyridyloxy)cyclophosphazene containing 20-membered metallamacrocyclic motifs.","Dalton transactions (Cambridge, England : 2003)","2016","45","5","2273","2283","10.1039/c5dt03537f","","","0.71073","MoKα","","0.0993","0.0768","","","0.2106","0.2357","","","","","","1.025","","","","has coordinates,has disorder","176065","2020-10-21","18:00:00",""
"7037471","11.634","0.005","12.742","0.005","16.197","0.005","97.615","0.005","93.25","0.005","106.564","0.005","2269.8","1.5","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C60 H78 Cd2 N22 O39 P6 -","- C60 H78 Cd2 N22 O39 P6 -","- C60 H78 Cd2 N22 O39 P6 -","1","0.5","","Suriya Narayanan, Ramakirushnan; Chandrasekhar, Vadapalli","Molecular, 1D and 2D assemblies from hexakis(3-pyridyloxy)cyclophosphazene containing 20-membered metallamacrocyclic motifs.","Dalton transactions (Cambridge, England : 2003)","2016","45","5","2273","2283","10.1039/c5dt03537f","","","0.71069","MoKα","","0.1146","0.091","","","0.2616","0.292","","","","","","1.057","","","","has coordinates","176065","2020-10-21","18:00:00",""
"7037472","25.112","0.006","16.605","0.005","19.463","0.004","90","","97.434","0.005","90","","8048","4","100","","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C61 H52 Cd3 N24 O31 P6 -","- C61 H52 Cd3 N24 O31 P6 -","- C244 H208 Cd12 N96 O124 P24 -","4","1","","Suriya Narayanan, Ramakirushnan; Chandrasekhar, Vadapalli","Molecular, 1D and 2D assemblies from hexakis(3-pyridyloxy)cyclophosphazene containing 20-membered metallamacrocyclic motifs.","Dalton transactions (Cambridge, England : 2003)","2016","45","5","2273","2283","10.1039/c5dt03537f","","","0.71073","MoKα","","0.0844","0.0603","","","0.1484","0.161","","","","","","1.038","","","","has coordinates","176065","2020-10-21","18:00:00",""
"7037473","9.0357","0.0004","14.2215","0.0005","26.5604","0.0012","90","","98.96","0.002","90","","3371.4","0.2","170","2","170","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C41 H32 P4 -","- C41 H32 P4 -","- C164 H128 P16 -","4","1","","Kosnik, Stephanie C.; Macdonald, Charles L. B.","A zwitterionic triphosphenium compound as a tunable multifunctional donor.","Dalton transactions (Cambridge, England : 2003)","2016","45","14","6251","6258","10.1039/c5dt03915k","","","0.71073","MoKα","","0.1152","0.0574","","","0.1161","0.1431","","","","","","1.035","","","","has coordinates","181709","2020-10-21","18:00:00",""
"7037474","13.5468","0.0005","16.8119","0.0005","16.3995","0.0006","90","","106.858","0.001","90","","3574.4","0.2","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C41 H32 Au Cl P4 -","- C41 H32 Au Cl P4 -","- C164 H128 Au4 Cl4 P16 -","4","1","","Kosnik, Stephanie C.; Macdonald, Charles L. B.","A zwitterionic triphosphenium compound as a tunable multifunctional donor.","Dalton transactions (Cambridge, England : 2003)","2016","45","14","6251","6258","10.1039/c5dt03915k","","","0.71073","MoKα","","0.03","0.0247","","","0.0558","0.0595","","","","","","1.096","","","","has coordinates","181709","2020-10-21","18:00:00",""
"7037475","8.9112","0.0002","14.6975","0.0004","26.2859","0.0006","90","","98.289","0.001","90","","3406.76","0.14","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C41 H32 P4 S -","- C41 H32 P4 S -","- C164 H128 P16 S4 -","4","1","","Kosnik, Stephanie C.; Macdonald, Charles L. B.","A zwitterionic triphosphenium compound as a tunable multifunctional donor.","Dalton transactions (Cambridge, England : 2003)","2016","45","14","6251","6258","10.1039/c5dt03915k","","","1.54178","CuKα","","0.0723","0.0492","","","0.12","0.1325","","","","","","1.046","","","","has coordinates","181709","2020-10-21","18:00:00",""
"7037477","11.8333","0.0004","16.5871","0.0005","18.7892","0.0006","70.639","0.003","75.383","0.003","69.878","0.003","3227","0.2","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C60 H75 Ag2 F12 N17 P2 -","- C60 H75 Ag2 F12 N17 P2 -","- C120 H150 Ag4 F24 N34 P4 -","2","1","","Vaughan, Jamila; Carter, Damien J.; Rohl, Andrew L.; Ogden, Mark I.; Skelton, Brian W.; Simpson, Peter V.; Brown, David H.","Silver(i), gold(i) and palladium(ii) complexes of a NHC-pincer ligand with an aminotriazine core: a comparison with pyridyl analogues.","Dalton transactions (Cambridge, England : 2003)","2016","45","4","1484","1495","10.1039/c5dt04213e","","","0.71073","MoKα","","0.1031","0.0463","","","0.0796","0.0889","","","","","","0.86","","","","has coordinates","176024","2020-10-21","18:00:00",""
"7037478","8.5126","0.0003","25.0522","0.0008","17.3391","0.0005","90","","93.315","0.003","90","","3691.5","0.2","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C31 H41 F12 N9 P2 -","- C31 H41 F12 N9 P2 -","- C124 H164 F48 N36 P8 -","4","1","","Vaughan, Jamila; Carter, Damien J.; Rohl, Andrew L.; Ogden, Mark I.; Skelton, Brian W.; Simpson, Peter V.; Brown, David H.","Silver(i), gold(i) and palladium(ii) complexes of a NHC-pincer ligand with an aminotriazine core: a comparison with pyridyl analogues.","Dalton transactions (Cambridge, England : 2003)","2016","45","4","1484","1495","10.1039/c5dt04213e","","","0.71073","MoKα","","0.0791","0.0476","","","0.1186","0.1262","","","","","","0.95","","","","has coordinates","176024","2020-10-21","18:00:00",""
"7037479","11.826","0.002","16.6381","0.0018","19.0617","0.0019","71.356","0.009","75.241","0.011","70.279","0.012","3299.7","0.8","180","2","180","2","","","","","","","","6","P -1","-P 1","2","","","","- C60 H75 Au2 F12 N17 P2 -","- C60 H75 Au2 F12 N17 P2 -","- C120 H150 Au4 F24 N34 P4 -","2","1","","Vaughan, Jamila; Carter, Damien J.; Rohl, Andrew L.; Ogden, Mark I.; Skelton, Brian W.; Simpson, Peter V.; Brown, David H.","Silver(i), gold(i) and palladium(ii) complexes of a NHC-pincer ligand with an aminotriazine core: a comparison with pyridyl analogues.","Dalton transactions (Cambridge, England : 2003)","2016","45","4","1484","1495","10.1039/c5dt04213e","","","0.71073","MoKα","","0.0725","0.0383","","","0.0687","0.0736","","","","","","0.817","","","","has coordinates","176024","2020-10-21","18:00:00",""
"7037480","16.7514","0.0002","15.6398","0.0002","39.1287","0.001","90","","91.285","0.002","90","","10248.7","0.3","100","2","100","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C91 H114 Au4 Br Cl F12 N26 P2 -","- C91 H114 Au4 Br Cl F12 N26 P2 -","- C364 H456 Au16 Br4 Cl4 F48 N104 P8 -","4","1","","Vaughan, Jamila; Carter, Damien J.; Rohl, Andrew L.; Ogden, Mark I.; Skelton, Brian W.; Simpson, Peter V.; Brown, David H.","Silver(i), gold(i) and palladium(ii) complexes of a NHC-pincer ligand with an aminotriazine core: a comparison with pyridyl analogues.","Dalton transactions (Cambridge, England : 2003)","2016","45","4","1484","1495","10.1039/c5dt04213e","","","0.71073","MoKα","","0.1038","0.0657","","","0.1469","0.1569","","","","","","1.023","","","","has coordinates","176024","2020-10-21","18:00:00",""
"7037481","10.7399","0.0002","11.5769","0.0002","15.0394","0.0003","106.461","0.002","107.735","0.002","90.06","0.002","1700.22","0.06","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C31 H39 Cl F6 N9 P Pd -","- C31 H39 Cl F6 N9 P Pd -","- C62 H78 Cl2 F12 N18 P2 Pd2 -","2","1","","Vaughan, Jamila; Carter, Damien J.; Rohl, Andrew L.; Ogden, Mark I.; Skelton, Brian W.; Simpson, Peter V.; Brown, David H.","Silver(i), gold(i) and palladium(ii) complexes of a NHC-pincer ligand with an aminotriazine core: a comparison with pyridyl analogues.","Dalton transactions (Cambridge, England : 2003)","2016","45","4","1484","1495","10.1039/c5dt04213e","","","0.71073","MoKα","","0.0379","0.0276","","","0.0658","0.068","","","","","","0.976","","","","has coordinates","176024","2020-10-21","18:00:00",""
"7037482","13.4178","0.0002","17.8673","0.0003","17.5027","0.0002","90","","100.73","0.001","90","","4122.73","0.1","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C102 H98 Au2 B2 N10 -","- C102 H98 Au2 B2 N10 -","- C204 H196 Au4 B4 N20 -","2","0.5","","Vaughan, Jamila; Carter, Damien J.; Rohl, Andrew L.; Ogden, Mark I.; Skelton, Brian W.; Simpson, Peter V.; Brown, David H.","Silver(i), gold(i) and palladium(ii) complexes of a NHC-pincer ligand with an aminotriazine core: a comparison with pyridyl analogues.","Dalton transactions (Cambridge, England : 2003)","2016","45","4","1484","1495","10.1039/c5dt04213e","","","0.71073","MoKα","","0.0589","0.0281","","","0.0462","0.0497","","","","","","0.844","","","","has coordinates","176024","2020-10-21","18:00:00",""
"7037483","7.95579","0.00009","8.39146","0.00009","5.98242","0.00007","90","","90","","90","","399.391","0.008","293","","293","","","","","","","","","4","P b a m","-P 2 2ab","55","","","","- Bi2 Cr Fe3 O9 -","- Bi2 Cr Fe3 O9 -","- Bi4 Cr2 Fe6 O18 -","2","0.25","","Rozova, M. G.; Grigoriev, V. V.; Bobrikov, I. A.; Filimonov, D. S.; Zakharov, K. V.; Volkova, O. S.; Vasiliev, A. N.; Antipov, E. V.; Tsirlin, A. A.; Abakumov, A. M.","Synthesis, structure and magnetic ordering of the mullite-type Bi2Fe4-xCrxO9 solid solutions with a frustrated pentagonal Cairo lattice.","Dalton transactions (Cambridge, England : 2003)","2016","45","3","1192","1200","10.1039/c5dt04296h","powder diffraction","neutron","","neutron","","0.0598","0.0564","","0.0415","0.0411","","","","1.41","","","","","","","has coordinates","288070","2023-12-06","12:58:00",""
"7037484","23.094","0.003","9.7806","0.0012","15.9792","0.0018","90","","94.232","0.003","90","","3599.4","0.8","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C41 H44 B I N O0.5 -","- C41 H44 B I N O0.5 -","- C164 H176 B4 I4 N4 O2 -","4","1","","Arivazhagan, C.; Borthakur, Rosmita; Jagan, R.; Ghosh, Sundargopal","Benzoindolium-triarylborane conjugates: a ratiometric fluorescent chemodosimeter for the detection of cyanide ions in aqueous medium.","Dalton transactions (Cambridge, England : 2003)","2016","45","12","5014","5020","10.1039/c5dt03189c","","","0.71073","MoKα","","0.0972","0.0473","","","0.1096","0.1361","","","","","","1.006","","","","has coordinates,has disorder","181671","2020-10-21","18:00:00",""
"7037485","10.3712","0.0002","10.644","0.0002","12.1789","0.0003","70.45","0.001","66.93","0.001","69.372","0.001","1127.05","0.04","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C48 H70 O4 Sm2 -","- C48 H70 O4 Sm2 -","- C48 H70 O4 Sm2 -","1","0.5","","Pushkarevsky, Nikolay A.; Ogienko, Mikhail A.; Smolentsev, Anton I.; Novozhilov, Igor N.; Witt, Alexander; Khusniyarov, Marat M.; Cherkasov, Vladimir K.; Konchenko, Sergey N.","Cooperative reduction by Ln(2+) and Cp*(-) ions: synthesis and properties of Sm, Eu, and Yb complexes with 3,6-di-tert-butyl-o-benzoquinone.","Dalton transactions (Cambridge, England : 2003)","2016","45","3","1269","1278","10.1039/c5dt03573b","","","0.71073","MoKα","","0.0247","0.0215","","","0.0518","0.053","","","","","","1.051","","","","has coordinates","176053","2020-10-21","18:00:00",""
"7037486","10.3705","0.0004","10.5729","0.0004","12.1066","0.0005","69.675","0.001","65.64","0.001","70.23","0.001","1104.04","0.08","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C48 H70 O4 Yb2 -","- C48 H70 O4 Yb2 -","- C48 H70 O4 Yb2 -","1","0.5","","Pushkarevsky, Nikolay A.; Ogienko, Mikhail A.; Smolentsev, Anton I.; Novozhilov, Igor N.; Witt, Alexander; Khusniyarov, Marat M.; Cherkasov, Vladimir K.; Konchenko, Sergey N.","Cooperative reduction by Ln(2+) and Cp*(-) ions: synthesis and properties of Sm, Eu, and Yb complexes with 3,6-di-tert-butyl-o-benzoquinone.","Dalton transactions (Cambridge, England : 2003)","2016","45","3","1269","1278","10.1039/c5dt03573b","","","0.71073","MoKα","","0.0205","0.0182","","","0.0457","0.0466","","","","","","1.048","","","","has coordinates","176053","2020-10-21","18:00:00",""
"7037487","12.5855","0.0003","20.3033","0.0006","24.2945","0.0007","90","","104.651","0.001","90","","6006.1","0.3","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C60 H91 Eu3 O8 -","- C60 H91 Eu3 O8 -","- C240 H364 Eu12 O32 -","4","1","","Pushkarevsky, Nikolay A.; Ogienko, Mikhail A.; Smolentsev, Anton I.; Novozhilov, Igor N.; Witt, Alexander; Khusniyarov, Marat M.; Cherkasov, Vladimir K.; Konchenko, Sergey N.","Cooperative reduction by Ln(2+) and Cp*(-) ions: synthesis and properties of Sm, Eu, and Yb complexes with 3,6-di-tert-butyl-o-benzoquinone.","Dalton transactions (Cambridge, England : 2003)","2016","45","3","1269","1278","10.1039/c5dt03573b","","","0.71073","MoKα","","0.0482","0.0301","","","0.0552","0.0595","","","","","","1.025","","","","has coordinates,has disorder","176053","2020-10-21","18:00:00",""
"7037488","21.057","0.0008","12.0413","0.0005","19.0031","0.0006","90","","95.75","0.001","90","","4794.1","0.3","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C48 H80 Mg2 O9 -","- C48 H80 Mg2 O9 -","- C192 H320 Mg8 O36 -","4","1","","Pushkarevsky, Nikolay A.; Ogienko, Mikhail A.; Smolentsev, Anton I.; Novozhilov, Igor N.; Witt, Alexander; Khusniyarov, Marat M.; Cherkasov, Vladimir K.; Konchenko, Sergey N.","Cooperative reduction by Ln(2+) and Cp*(-) ions: synthesis and properties of Sm, Eu, and Yb complexes with 3,6-di-tert-butyl-o-benzoquinone.","Dalton transactions (Cambridge, England : 2003)","2016","45","3","1269","1278","10.1039/c5dt03573b","","","0.71073","MoKα","","0.1039","0.0541","","","0.1303","0.1438","","","","","","1.046","","","","has coordinates","176053","2020-10-21","18:00:00",""
"7037489","8.9544","0.0004","17.3198","0.0006","17.1909","0.0006","90","","93.431","0.004","90","","2661.33","0.18","123","2","123","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C21 H50 N3 Na Zn -","- C21 H50 N3 Na Zn -","- C84 H200 N12 Na4 Zn4 -","4","1","","Francos, Javier; Kennedy, Alan R.; O'Hara, Charles T","Synthetic and reactivity studies of hetero-tri-anionic sodium zincates.","Dalton transactions (Cambridge, England : 2003)","2016","45","14","6222","6233","10.1039/c5dt04329h","","","0.71073","MoKα","","0.0957","0.0493","","","0.0927","0.1095","","","","","","1.009","","","","has coordinates","181712","2020-10-21","18:00:00",""
"7037490","16.6824","0.0006","10.3773","0.0003","16.944","0.0005","90","","102.622","0.003","90","","2862.43","0.16","123","2","123","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C26 H55 N2 Na Zn -","- C26 H55 N2 Na Zn -","- C104 H220 N8 Na4 Zn4 -","4","1","","Francos, Javier; Kennedy, Alan R.; O'Hara, Charles T","Synthetic and reactivity studies of hetero-tri-anionic sodium zincates.","Dalton transactions (Cambridge, England : 2003)","2016","45","14","6222","6233","10.1039/c5dt04329h","","","0.71073","MoKα","","0.0448","0.0313","","","0.0676","0.0738","","","","","","1.03","","","","has coordinates","181712","2020-10-21","18:00:00",""
"7037491","20.3535","0.0004","12.3267","0.0003","10.8623","0.0002","90","","90","","90","","2725.26","0.1","123","2","123","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C23 H52 N3 Na Zn -","- C23 H52 N3 Na Zn -","- C92 H208 N12 Na4 Zn4 -","4","0.5","","Francos, Javier; Kennedy, Alan R.; O'Hara, Charles T","Synthetic and reactivity studies of hetero-tri-anionic sodium zincates.","Dalton transactions (Cambridge, England : 2003)","2016","45","14","6222","6233","10.1039/c5dt04329h","","","0.71073","MoKα","","0.0417","0.0275","","","0.06","0.0631","","","","","","1.033","","","","has coordinates,has disorder","181712","2020-10-21","18:00:00",""
"7037492","10.7214","0.0006","11.3849","0.0005","14.4618","0.001","67.46","0.005","73.938","0.005","64.719","0.005","1460.69","0.16","123","2","123","2","","","","","","","","6","P -1","-P 1","2","","","","- C23 H54 N3 Na Si Zn -","- C23 H54 N3 Na Si Zn -","- C46 H108 N6 Na2 Si2 Zn2 -","2","1","","Francos, Javier; Kennedy, Alan R.; O'Hara, Charles T","Synthetic and reactivity studies of hetero-tri-anionic sodium zincates.","Dalton transactions (Cambridge, England : 2003)","2016","45","14","6222","6233","10.1039/c5dt04329h","","","0.71073","MoKα","","0.0579","0.044","","","0.1041","0.1122","","","","","","1.038","","","","has coordinates,has disorder","181712","2020-10-21","18:00:00",""
"7037493","20.682","0.0008","13.2093","0.0005","10.5957","0.0005","90","","90","","90","","2894.7","0.2","123","2","123","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C20 H52 N3 Na Si2 Zn -","- C20 H52 N3 Na Si2 Zn -","- C80 H208 N12 Na4 Si8 Zn4 -","4","0.5","","Francos, Javier; Kennedy, Alan R.; O'Hara, Charles T","Synthetic and reactivity studies of hetero-tri-anionic sodium zincates.","Dalton transactions (Cambridge, England : 2003)","2016","45","14","6222","6233","10.1039/c5dt04329h","","","1.54184","CuKα","","0.0518","0.0408","","","0.0897","0.0949","","","","","","1.113","","","","has coordinates,has disorder","181712","2020-10-21","18:00:00",""
"7037494","11.3918","0.0002","12.8158","0.0003","21.9314","0.0004","90","","95.897","0.002","90","","3184.93","0.11","123","2","123","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C30 H52 N3 Na Zn -","- C30 H52 N3 Na Zn -","- C120 H208 N12 Na4 Zn4 -","4","2","","Francos, Javier; Kennedy, Alan R.; O'Hara, Charles T","Synthetic and reactivity studies of hetero-tri-anionic sodium zincates.","Dalton transactions (Cambridge, England : 2003)","2016","45","14","6222","6233","10.1039/c5dt04329h","","","1.5418","CuKα","","0.047","0.0388","","","0.0904","0.0965","","","","","","1.037","","","","has coordinates,has disorder","181712","2020-10-21","18:00:00",""
"7037495","9.635","0.0006","10.5208","0.0006","20.1793","0.0007","93.458","0.004","97.698","0.004","99.085","0.005","1994.72","0.19","123","2","123","2","","","","","","","","4","P -1","-P 1","2","","","","- C44 H56 N6 Na2 -","- C44 H56 N6 Na2 -","- C88 H112 N12 Na4 -","2","1","","Francos, Javier; Kennedy, Alan R.; O'Hara, Charles T","Synthetic and reactivity studies of hetero-tri-anionic sodium zincates.","Dalton transactions (Cambridge, England : 2003)","2016","45","14","6222","6233","10.1039/c5dt04329h","","","0.71073","MoKα","","0.0765","0.055","","","0.1334","0.1491","","","","","","1.02","","","","has coordinates","181712","2020-10-21","18:00:00",""
"7037496","10.5426","0.0009","10.6529","0.0009","15.3375","0.0013","86.581","0.007","73.239","0.008","76.553","0.007","1604.1","0.2","123","2","123","2","","","","","","","","6","P -1","-P 1","2","","","","- C28 H61 N4 Na O Zn -","- C28 H61 N4 Na O Zn -","- C56 H122 N8 Na2 O2 Zn2 -","2","1","","Francos, Javier; Kennedy, Alan R.; O'Hara, Charles T","Synthetic and reactivity studies of hetero-tri-anionic sodium zincates.","Dalton transactions (Cambridge, England : 2003)","2016","45","14","6222","6233","10.1039/c5dt04329h","","","0.71073","MoKα","","0.0605","0.0456","","","0.0993","0.1075","","","","","","1.026","","","","has coordinates,has disorder","181712","2020-10-21","18:00:00",""
"7037498","10.9004","0.00017","17.234","0.0002","21.1886","0.0003","90","","102.427","0.0015","90","","3887.17","0.1","223","2","223","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C27 H62 Lu N3 O Si5 -","- C27 H62 Lu N3 O Si5 -","- C108 H248 Lu4 N12 O4 Si20 -","4","1","","Shi, Liqin; Su, Qi; Chen, Jue; Li, Xiaonian; Luo, Yunjie","Rare-earth metal bis(silylamide) complexes supported by mono-dentate arylamido ligand: synthesis, reactivity, and catalyst precursors in living cis-1,4-selective polymerization of isoprene.","Dalton transactions (Cambridge, England : 2003)","2016","45","4","1391","1397","10.1039/c5dt03937a","","","0.7107","MoKα","","0.0311","0.025","","","0.0577","0.0598","","","","","","1.047","","","","has coordinates,has disorder","176018","2020-10-21","18:00:00",""
"7037499","14.709","0.004","12.437","0.003","17.541","0.005","90","","112.473","0.007","90","","2965.2","1.4","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C23 H50 Al2 N Si Y -","- C23 H50 Al2 N Si Y -","- C92 H200 Al8 N4 Si4 Y4 -","4","1","","Shi, Liqin; Su, Qi; Chen, Jue; Li, Xiaonian; Luo, Yunjie","Rare-earth metal bis(silylamide) complexes supported by mono-dentate arylamido ligand: synthesis, reactivity, and catalyst precursors in living cis-1,4-selective polymerization of isoprene.","Dalton transactions (Cambridge, England : 2003)","2016","45","4","1391","1397","10.1039/c5dt03937a","","","0.7107","MoKα","","0.1176","0.1008","","","0.235","0.2442","","","","","","1.296","","","","has coordinates","176018","2020-10-21","18:00:00",""
"7037500","15.073","0.003","12.4138","0.0019","17.68","0.003","90","","112.964","0.003","90","","3046","0.9","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C23 H50 Al2 Lu N Si -","- C23 H50 Al2 Lu N Si -","- C92 H200 Al8 Lu4 N4 Si4 -","4","1","","Shi, Liqin; Su, Qi; Chen, Jue; Li, Xiaonian; Luo, Yunjie","Rare-earth metal bis(silylamide) complexes supported by mono-dentate arylamido ligand: synthesis, reactivity, and catalyst precursors in living cis-1,4-selective polymerization of isoprene.","Dalton transactions (Cambridge, England : 2003)","2016","45","4","1391","1397","10.1039/c5dt03937a","","","0.71075","MoKα","","0.0435","0.0324","","","0.0689","0.0725","","","","","","0.97","","","","has coordinates","176018","2020-10-21","18:00:00",""
"7037506","12.2706","0.0004","14.1117","0.0007","14.6498","0.0006","90","","90","","90","","2536.75","0.18","173","2","173","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C24 H27 Cl3 Ge N P -","- C24 H27 Cl3 Ge N P -","- C96 H108 Cl12 Ge4 N4 P4 -","4","1","","Yu, Ying; Li, Jiancheng; Liu, Weiping; Ye, Qingsong; Zhu, Hongping","Amino group combined P/Ge and P/Sn Lewis pairs: synthesis and dipolar addition reactions to alkyne and aldehyde molecules.","Dalton transactions (Cambridge, England : 2003)","2016","45","14","6259","6268","10.1039/c5dt03873a","","","0.71073","MoKα","","0.0499","0.0413","","","0.0739","0.077","","","","","","1.016","","","","has coordinates","181731","2020-10-21","18:00:00",""
"7037507","12.5358","0.0009","13.0789","0.0009","17.8152","0.0013","90","","102.189","0.008","90","","2855","0.4","173","2","173","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C27 H27 Cl3 Ge N O4 P -","- C27 H27 Cl3 Ge N O4 P -","- C108 H108 Cl12 Ge4 N4 O16 P4 -","4","1","","Yu, Ying; Li, Jiancheng; Liu, Weiping; Ye, Qingsong; Zhu, Hongping","Amino group combined P/Ge and P/Sn Lewis pairs: synthesis and dipolar addition reactions to alkyne and aldehyde molecules.","Dalton transactions (Cambridge, England : 2003)","2016","45","14","6259","6268","10.1039/c5dt03873a","","","0.71073","MoKα","","0.0568","0.0413","","","0.0862","0.0918","","","","","","1.019","","","","has coordinates","181731","2020-10-21","18:00:00",""
"7037508","10.5333","0.0006","10.8401","0.0005","15.5515","0.0006","80.549","0.004","86.245","0.004","68.059","0.005","1624.71","0.15","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C33 H42 Ge N O4 P -","- C33 H42 Ge N O4 P -","- C66 H84 Ge2 N2 O8 P2 -","2","1","","Yu, Ying; Li, Jiancheng; Liu, Weiping; Ye, Qingsong; Zhu, Hongping","Amino group combined P/Ge and P/Sn Lewis pairs: synthesis and dipolar addition reactions to alkyne and aldehyde molecules.","Dalton transactions (Cambridge, England : 2003)","2016","45","14","6259","6268","10.1039/c5dt03873a","","","0.71073","MoKα","","0.0375","0.0321","","","0.076","0.0781","","","","","","1.029","","","","has coordinates","181731","2020-10-21","18:00:00",""
"7037509","11.419","0.0002","21.2619","0.0002","13.001","0.0002","90","","98.573","0.001","90","","3121.24","0.08","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C31 H40 Ge N O2 P -","- C31 H40 Ge N O2 P -","- C124 H160 Ge4 N4 O8 P4 -","4","1","","Yu, Ying; Li, Jiancheng; Liu, Weiping; Ye, Qingsong; Zhu, Hongping","Amino group combined P/Ge and P/Sn Lewis pairs: synthesis and dipolar addition reactions to alkyne and aldehyde molecules.","Dalton transactions (Cambridge, England : 2003)","2016","45","14","6259","6268","10.1039/c5dt03873a","","","1.54178","CuKα","","0.0298","0.0288","","","0.0766","0.0775","","","","","","1.042","","","","has coordinates","181731","2020-10-21","18:00:00",""
"7037510","11.0403","0.0005","18.5444","0.0009","18.9549","0.0011","119.182","0.006","102.169","0.004","93.335","0.004","3252.6","0.4","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C33 H42 N O4 P Sn -","- C33 H42 N O4 P Sn -","- C132 H168 N4 O16 P4 Sn4 -","4","2","","Yu, Ying; Li, Jiancheng; Liu, Weiping; Ye, Qingsong; Zhu, Hongping","Amino group combined P/Ge and P/Sn Lewis pairs: synthesis and dipolar addition reactions to alkyne and aldehyde molecules.","Dalton transactions (Cambridge, England : 2003)","2016","45","14","6259","6268","10.1039/c5dt03873a","","","0.71073","MoKα","","0.0486","0.0375","","","0.0747","0.0788","","","","","","0.998","","","","has coordinates","182989","2020-10-21","18:00:00",""
"7037511","19.2113","0.0002","9.3627","0.0001","33.9828","0.0004","90","","90","","90","","6112.47","0.12","173","2","173","2","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C58 H74 Cl6 Ge2 N2 O3 P2 -","- C58 H74 Cl6 Ge2 N2 O3 P2 -","- C232 H296 Cl24 Ge8 N8 O12 P8 -","4","1","","Yu, Ying; Li, Jiancheng; Liu, Weiping; Ye, Qingsong; Zhu, Hongping","Amino group combined P/Ge and P/Sn Lewis pairs: synthesis and dipolar addition reactions to alkyne and aldehyde molecules.","Dalton transactions (Cambridge, England : 2003)","2016","45","14","6259","6268","10.1039/c5dt03873a","","","1.54178","CuKα","","0.0297","0.0266","","","0.0579","0.0586","","","","","","0.989","","","","has coordinates,has disorder","181731","2020-10-21","18:00:00",""
"7037512","13.6361","0.0009","11.3768","0.0006","24.1644","0.0013","90","","94.974","0.005","90","","3734.6","0.4","173","2","173","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C68 H84 Cl6 Ge2 N2 O5 P2 -","- C68 H84 Cl6 Ge2 N2 O5 P2 -","- C136 H168 Cl12 Ge4 N4 O10 P4 -","2","0.5","","Yu, Ying; Li, Jiancheng; Liu, Weiping; Ye, Qingsong; Zhu, Hongping","Amino group combined P/Ge and P/Sn Lewis pairs: synthesis and dipolar addition reactions to alkyne and aldehyde molecules.","Dalton transactions (Cambridge, England : 2003)","2016","45","14","6259","6268","10.1039/c5dt03873a","","","0.71073","MoKα","","0.0702","0.0569","","","0.1588","0.1734","","","","","","1.03","","","","has coordinates","181731","2020-10-21","18:00:00",""
"7037513","8.7764","0.0002","13.5763","0.0003","30.1113","0.0006","90","","98.34","0.001","90","","3549.85","0.13","173","2","173","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C33 H37 Cu I3 N O3 S2 -","- C33 H37 Cu I3 N O3 S2 -","- C132 H148 Cu4 I12 N4 O12 S8 -","4","1","","Kang, Yunji; Park, In-Hyeok; Ikeda, Mari; Habata, Yoichi; Lee, Shim Sung","A double decker type complex: copper(i) iodide complexation with mixed donor macrocycles via [1 : 1] and [2 : 2] cyclisations.","Dalton transactions (Cambridge, England : 2003)","2016","45","11","4528","4533","10.1039/c5dt03751d","","","0.71073","MoKα","","0.0331","0.0251","","","0.0448","0.047","","","","","","1.162","","","","has coordinates","181704","2020-10-21","18:00:00",""
"7037514","14.5063","0.0018","15.144","0.002","18.221","0.003","98.408","0.01","96.873","0.009","118.076","0.008","3411.4","0.9","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C116 H108 Cu4 I4 N4 O8 S8 -","- C116 H108 Cu4 I4 N4 O8 S8 -","- C116 H108 Cu4 I4 N4 O8 S8 -","1","0.5","","Kang, Yunji; Park, In-Hyeok; Ikeda, Mari; Habata, Yoichi; Lee, Shim Sung","A double decker type complex: copper(i) iodide complexation with mixed donor macrocycles via [1 : 1] and [2 : 2] cyclisations.","Dalton transactions (Cambridge, England : 2003)","2016","45","11","4528","4533","10.1039/c5dt03751d","","","0.71073","MoKα","","0.2566","0.1437","","","0.3599","0.3946","","","","","","1.009","","","","has coordinates","181704","2020-10-21","18:00:00",""
"7037515","14.275","0.003","14.778","0.003","18.504","0.003","109.751","0.011","93.682","0.011","116.299","0.01","3186","1.2","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C116 H108 Cu4 I4 N4 O8 S8 -","- C116 H108 Cu4 I4 N4 O8 S8 -","- C116 H108 Cu4 I4 N4 O8 S8 -","1","0.5","","Kang, Yunji; Park, In-Hyeok; Ikeda, Mari; Habata, Yoichi; Lee, Shim Sung","A double decker type complex: copper(i) iodide complexation with mixed donor macrocycles via [1 : 1] and [2 : 2] cyclisations.","Dalton transactions (Cambridge, England : 2003)","2016","45","11","4528","4533","10.1039/c5dt03751d","","","0.71073","MoKα","","0.2027","0.1099","","","0.3211","0.3614","","","","","","1.042","","","","has coordinates","181704","2020-10-21","18:00:00",""
"7037516","17.1627","0.001","17.1627","0.001","12.407","0.002","90","","90","","90","","3654.6","0.7","173","2","173","2","","","","","","","","5","P 4/n","-P 4a","85","","","","- C55 H92 N10 O17 Zn2 -","- C49 H64 N8 O8 Zn2 -","- C98 H128 N16 O16 Zn4 -","2","","","Almáši, Miroslav; Zeleňák, Vladimír; Zukal, Arnošt; Kuchár, Juraj; Čejka, Jiří","A novel zinc(ii) metal-organic framework with a diamond-like structure: synthesis, study of thermal robustness and gas adsorption properties.","Dalton transactions (Cambridge, England : 2003)","2016","45","3","1233","1242","10.1039/c5dt02437d","","","0.71073","MoKα","","0.131","0.0639","","","0.1647","0.2013","","","","","","0.947","","","","has coordinates","176055","2020-10-21","18:00:00",""
"7037519","6.0734","0.0009","12.3908","0.0014","14.032","0.002","106.92","0.004","98.179","0.006","100.308","0.01","972.5","0.2","180","2","180","2","","","","","","","","4","P -1","-P 1","2","","","","- C30 H62 N8 P4 -","- C30 H62 N8 P4 -","- C30 H62 N8 P4 -","1","0.5","","Sevilla, Raquel; Less, Robert J.; García-Rodríguez, Raúl; Bond, Andrew D.; Wright, Dominic S.","Synthesis and structure of the extended phosphazane ligand [(1,4-C6H4){N(μ-PN(t)Bu)2N(t)Bu}2](4.).","Dalton transactions (Cambridge, England : 2003)","2016","45","5","1868","1871","10.1039/c5dt04393j","","","0.71073","MoKα","","0.0963","0.0831","","","0.1882","0.1937","","","","","","1.282","","","","has coordinates","176064","2020-10-21","18:00:00",""
"7037520","6.1188","0.0003","14.0514","0.0006","15.4022","0.0007","88.944","0.003","89.034","0.003","81.094","0.002","1307.93","0.1","220","2","220","2","","","","","","","","4","P -1","-P 1","2","","","","- C42 H86 N8 P4 -","- C42 H86 N8 P4 -","- C42 H86 N8 P4 -","1","0.5","","Sevilla, Raquel; Less, Robert J.; García-Rodríguez, Raúl; Bond, Andrew D.; Wright, Dominic S.","Synthesis and structure of the extended phosphazane ligand [(1,4-C6H4){N(μ-PN(t)Bu)2N(t)Bu}2](4.).","Dalton transactions (Cambridge, England : 2003)","2016","45","5","1868","1871","10.1039/c5dt04393j","","","1.54178","CuKα","","0.1398","0.0985","","","0.2805","0.3203","","","","","","1.062","","","","has coordinates,has disorder","176064","2020-10-21","18:00:00",""
"7037521","6.1188","0.0003","14.0514","0.0006","15.4022","0.0007","88.944","0.003","89.034","0.003","81.094","0.003","1307.93","0.1","220","2","220","2","","","","","","","","4","P -1","-P 1","2","","","","- C30 H62 N8 P4 -","- C30 H62 N8 P4 -","- C30 H62 N8 P4 -","1","0.5","","Sevilla, Raquel; Less, Robert J.; García-Rodríguez, Raúl; Bond, Andrew D.; Wright, Dominic S.","Synthesis and structure of the extended phosphazane ligand [(1,4-C6H4){N(μ-PN(t)Bu)2N(t)Bu}2](4.).","Dalton transactions (Cambridge, England : 2003)","2016","45","5","1868","1871","10.1039/c5dt04393j","","","1.54178","CuKα","","0.1085","0.0713","","","0.188","0.2135","","","","","","1.014","","","","has coordinates","176064","2020-10-21","18:00:00",""
"7037522","10.4939","0.0004","17.4459","0.0006","16.1229","0.0007","90","","96.9488","0.0016","90","","2930","0.2","180","2","180","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C46 H90 Mg2 N8 O4 P4 -","- C46 H90 Mg2 N8 O4 P4 -","- C92 H180 Mg4 N16 O8 P8 -","2","0.5","","Sevilla, Raquel; Less, Robert J.; García-Rodríguez, Raúl; Bond, Andrew D.; Wright, Dominic S.","Synthesis and structure of the extended phosphazane ligand [(1,4-C6H4){N(μ-PN(t)Bu)2N(t)Bu}2](4.).","Dalton transactions (Cambridge, England : 2003)","2016","45","5","1868","1871","10.1039/c5dt04393j","","","0.71073","MoKα","","0.1012","0.0677","","","0.1431","0.1601","","","","","","1.067","","","","has coordinates","176064","2020-10-21","18:00:00",""
"7037523","10.664","0.002","11.639","0.002","8.0406","0.0016","90","","90.73","0.03","90","","997.9","0.3","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C10 H10 Cu3 N20 -","- C10 H10 Cu3 N20 -","- C20 H20 Cu6 N40 -","2","0.5","","Zhao, Jiong-Peng; Xie, Yabo; Li, Jian-Rong; Bu, Xian-He","Structural and magnetic modulations of copper(ii) azido complexes: unexpected in situ reactions of mono-N-donor pyridine-based co-ligands.","Dalton transactions (Cambridge, England : 2003)","2016","45","4","1514","1524","10.1039/c5dt03667d","","","0.71073","MoKα","","0.0421","0.0362","","","0.0803","0.0833","","","","","","1.1","","","","has coordinates","176015","2020-10-21","18:00:00",""
"7037524","14.274","0.003","11.452","0.002","7.8834","0.0016","90","","104.76","0.03","90","","1246.1","0.5","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C12 H12 Cu3 N26 -","- C12 H12 Cu3 N26 -","- C24 H24 Cu6 N52 -","2","0.5","","Zhao, Jiong-Peng; Xie, Yabo; Li, Jian-Rong; Bu, Xian-He","Structural and magnetic modulations of copper(ii) azido complexes: unexpected in situ reactions of mono-N-donor pyridine-based co-ligands.","Dalton transactions (Cambridge, England : 2003)","2016","45","4","1514","1524","10.1039/c5dt03667d","","","0.71073","MoKα","","0.0849","0.0741","","","0.1874","0.1962","","","","","","1.153","","","","has coordinates","176015","2020-10-21","18:00:00",""
"7037525","3.8316","0.0008","8.6029","0.0017","16.855","0.003","94.24","0.03","96.16","0.03","99.46","0.03","542.5","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H18 Cu N8 O2 -","- C24 H18 Cu N8 O2 -","- C24 H18 Cu N8 O2 -","1","0.5","","Zhao, Jiong-Peng; Xie, Yabo; Li, Jian-Rong; Bu, Xian-He","Structural and magnetic modulations of copper(ii) azido complexes: unexpected in situ reactions of mono-N-donor pyridine-based co-ligands.","Dalton transactions (Cambridge, England : 2003)","2016","45","4","1514","1524","10.1039/c5dt03667d","","","0.71073","MoKα","","0.0973","0.0657","","","0.1515","0.1664","","","","","","1.005","","","","has coordinates","176015","2020-10-21","18:00:00",""
"7037526","12.722","0.003","14.935","0.003","5.7789","0.0012","90","","93.39","0.03","90","","1096.1","0.4","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C9 H7 Cu N7 O0 -","- C9 H7 Cu N7 -","- C36 H28 Cu4 N28 -","4","1","","Zhao, Jiong-Peng; Xie, Yabo; Li, Jian-Rong; Bu, Xian-He","Structural and magnetic modulations of copper(ii) azido complexes: unexpected in situ reactions of mono-N-donor pyridine-based co-ligands.","Dalton transactions (Cambridge, England : 2003)","2016","45","4","1514","1524","10.1039/c5dt03667d","","","0.71073","MoKα","","0.0893","0.0594","","","0.1451","0.1637","","","","","","1.07","","","","has coordinates","176015","2020-10-21","18:00:00",""
"7037527","5.633","0.002","10.581","0.004","11.33","0.005","97.097","0.006","103.762","0.008","92.953","0.004","648.6","0.4","173.15","","173.15","","","","","","","","","4","P -1","-P 1","2","","","","- C16 H14 F2 N2 -","- C16 H14 F2 N2 -","- C32 H28 F4 N4 -","2","1","","Wang, Wei; Meng, Wei; Du, Haifeng","B(C6F5)3-catalyzed metal-free hydrogenation of 3,6-diarylpyridazines.","Dalton transactions (Cambridge, England : 2003)","2016","45","14","5945","5948","10.1039/c5dt03872c","","","0.71073","MoKα","","0.0678","0.0603","","","0.1423","0.1488","","","","","","1.148","","","","has coordinates,has disorder","181719","2020-10-21","18:00:00",""
"7037528","16.2518","0.0004","21.2575","0.0008","25.0707","0.001","90","","90","","90","","8661.2","0.5","183","1","183","1","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C68 H117 Co N16 O26 P -","- C68 H95 Co N16 O15 P -","- C272 H380 Co4 N64 O60 P4 -","4","1","","Santoro, Giuseppe; Beltrami, Ruben; Kottelat, Emmanuel; Blacque, Olivier; Bogdanova, Anna Yu; Zobi, Fabio","N-Nitrosamine-{cis-Re[CO]2}(2+) cobalamin conjugates as mixed CO/NO-releasing molecules.","Dalton transactions (Cambridge, England : 2003)","2016","45","4","1504","1513","10.1039/c5dt03402g","","","0.71073","MoKα","","0.1458","0.1037","","","0.2782","0.3167","","","","","","1.046","","","","has coordinates,has disorder","176027","2020-10-21","18:00:00",""
"7037529","15.6019","0.0004","21.4078","0.0004","28.0537","0.0007","90","","95.299","0.002","90","","9330","0.4","183","1","183","1","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C139 H242 Co2 N34 O56 P2 -","- C136 H190 Co2 N34 O32 P2 -","- C272 H380 Co4 N68 O64 P4 -","2","1","","Santoro, Giuseppe; Beltrami, Ruben; Kottelat, Emmanuel; Blacque, Olivier; Bogdanova, Anna Yu; Zobi, Fabio","N-Nitrosamine-{cis-Re[CO]2}(2+) cobalamin conjugates as mixed CO/NO-releasing molecules.","Dalton transactions (Cambridge, England : 2003)","2016","45","4","1504","1513","10.1039/c5dt03402g","","","0.71073","MoKα","","0.0834","0.0717","","","0.1836","0.1928","","","","","","1.048","","","","has coordinates,has disorder","176027","2020-10-21","18:00:00",""
"7037530","13.7494","0.0011","17.0061","0.0014","19.0775","0.0016","74.82","0.001","83.929","0.001","70.727","0.001","4062.9","0.6","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C62 H101 N O22 P6 Sb4 -","- C62 H101 N O22 P6 Sb4 -","- C124 H202 N2 O44 P12 Sb8 -","2","1","","Ugandhar, Uppara; Baskar, Viswanathan","Monoorganoantimony(v) phosphonates and phosphoselininates.","Dalton transactions (Cambridge, England : 2003)","2016","45","14","6269","6274","10.1039/c5dt03449c","","","0.71073","MoKα","","0.0263","0.0244","","","0.0631","0.0642","","","","","","1.052","","","","has coordinates","181740","2020-10-21","18:00:00",""
"7037531","13.16","0.0014","13.16","0.0014","26.614","0.004","90","","90","","90","","4609.2","1","100","2","100","2","","","","","","","","5","I -4","I -4","82","","","","- C88 H92 O26 P8 Sb4 -","- C88 H92 O26 P8 Sb4 -","- C176 H184 O52 P16 Sb8 -","2","0.25","","Ugandhar, Uppara; Baskar, Viswanathan","Monoorganoantimony(v) phosphonates and phosphoselininates.","Dalton transactions (Cambridge, England : 2003)","2016","45","14","6269","6274","10.1039/c5dt03449c","","","0.71073","MoKα","","0.0612","0.0595","","","0.1578","0.1604","","","","","","1.076","","","","has coordinates","181740","2020-10-21","18:00:00",""
"7037532","24.238","0.002","27.209","0.002","30.177","0.002","90","","90","","90","","19901","3","100","2","100","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C78 H123 N3 O26 P6 Sb4 Se2 -","- C78 H123 N3 O26 P6 Sb4 Se2 -","- C624 H984 N24 O208 P48 Sb32 Se16 -","8","1","","Ugandhar, Uppara; Baskar, Viswanathan","Monoorganoantimony(v) phosphonates and phosphoselininates.","Dalton transactions (Cambridge, England : 2003)","2016","45","14","6269","6274","10.1039/c5dt03449c","","","0.71073","MoKα","","0.0918","0.0569","","","0.1419","0.17","","","","","","1.098","","","","has coordinates","181740","2020-10-21","18:00:00",""
"7037533","13.9433","0.0012","15.4586","0.0013","21.2655","0.0018","82.213","0.001","83.783","0.002","71.55","0.001","4297.5","0.6","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C64 H98 O26 P6 Sb4 Se2 -","- C64 H98 O26 P6 Sb4 Se2 -","- C128 H196 O52 P12 Sb8 Se4 -","2","1","","Ugandhar, Uppara; Baskar, Viswanathan","Monoorganoantimony(v) phosphonates and phosphoselininates.","Dalton transactions (Cambridge, England : 2003)","2016","45","14","6269","6274","10.1039/c5dt03449c","","","0.71073","MoKα","","0.0463","0.0359","","","0.0786","0.0825","","","","","","1.015","","","","has coordinates","181740","2020-10-21","18:00:00",""
"7037534","17.124","0.003","16.73","0.003","22.614","0.004","90","","107.967","0.004","90","","6162.6","1.9","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C50 H77 N O17 P4 Sb2 Se2 -","- C50 H77 N O17 P4 Sb2 Se2 -","- C200 H308 N4 O68 P16 Sb8 Se8 -","4","1","","Ugandhar, Uppara; Baskar, Viswanathan","Monoorganoantimony(v) phosphonates and phosphoselininates.","Dalton transactions (Cambridge, England : 2003)","2016","45","14","6269","6274","10.1039/c5dt03449c","","","0.71073","MoKα","","0.1512","0.0911","","","0.195","0.2173","","","","","","1.107","","","","has coordinates","181740","2020-10-21","18:00:00",""
"7037583","16.3153","0.0019","16.3153","0.0019","30.68","0.006","90","","90","","90","","8167","2","173","","173","","","","","","","","","6","P 4/n :2","-P 4a","85","","","","- C158 H179 Cl6 Cu3 N25 O10 -","- C158 H156 Cl6 Cu3 N25 O10 -","- C316 H312 Cl12 Cu6 N50 O20 -","2","0.25","","Sone, Eriko; Sato, Moeko; Yamanishi, Katsunori; Kamio, Chihiro; Takemoto, Hiroyuki; Kondo, Mitsuru","Self-assembled construction of a sheet-type coordination polymer bearing cationic M2L4 cages: creation of channel-like space for removal of ClO4(-) and NO3(-) from aqueous solutions.","Dalton transactions (Cambridge, England : 2003)","2016","45","3","894","898","10.1039/c5dt03602j","","","0.71075","MoKα","","","0.0755","","","","0.1521","","","","","","1.004","","","","has coordinates","176038","2020-10-21","18:00:00",""
"7037584","17.427","0.003","30.021","0.005","18.374","0.004","90","","114.813","0.004","90","","8725","3","123","2","123","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","1,3,5-tri(4'-carboxylphenyl) benzoic thorium","","","- C89 H85 Cl7 N10 O12 Th2 -","- C89 H85 Cl7 N10 O12 Th2 -","- C356 H340 Cl28 N40 O48 Th8 -","4","0.5","","Li, Yuxiang; Weng, Zhehui; Wang, Yanlong; Chen, Lanhua; Sheng, Daopeng; Diwu, Juan; Chai, Zhifang; Albrecht-Schmitt, Thomas E; Wang, Shuao","Surprising coordination for low-valent actinides resembling uranyl(vi) in thorium(iv) organic hybrid layered and framework structures based on a graphene-like (6,3) sheet topology.","Dalton transactions (Cambridge, England : 2003)","2016","45","3","918","921","10.1039/c5dt04183j","","","0.71073","MoKα","","0.1162","0.0843","","","0.173","0.1867","","","","","","1.039","","","","has coordinates,has disorder","176039","2020-10-21","18:00:00",""
"7037585","24.8612","0.0019","24.8612","0.0019","28.26","0.004","90","","90","","120","","15127","3","123","2","123","2","","","","","","","","5","R -3 c :H","-R 3 2""c","167","4,4',4'-nitrilotribenzoic thorium","","","- C63 H36 N3 O20 Th2 -","- C63 H36 N3 O20 Th2 -","- C378 H216 N18 O120 Th12 -","6","0.166667","","Li, Yuxiang; Weng, Zhehui; Wang, Yanlong; Chen, Lanhua; Sheng, Daopeng; Diwu, Juan; Chai, Zhifang; Albrecht-Schmitt, Thomas E; Wang, Shuao","Surprising coordination for low-valent actinides resembling uranyl(vi) in thorium(iv) organic hybrid layered and framework structures based on a graphene-like (6,3) sheet topology.","Dalton transactions (Cambridge, England : 2003)","2016","45","3","918","921","10.1039/c5dt04183j","","","0.71073","MoKα","","0.043","0.0242","","","0.0625","0.0711","","","","","","0.957","","","","has coordinates","176039","2020-10-21","18:00:00",""
"7037586","17.273","0.002","15.263","0.002","17.298","0.002","90","","118.669","0.003","90","","4001.3","0.8","123","2","123","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","1,3,5-tri(4'-carboxylphenyl) benzoic thorium","","","- C41 H37 Cl3 N4 O6 Th -","- C41 H37 Cl3 N4 O6 Th -","- C164 H148 Cl12 N16 O24 Th4 -","4","1","","Li, Yuxiang; Weng, Zhehui; Wang, Yanlong; Chen, Lanhua; Sheng, Daopeng; Diwu, Juan; Chai, Zhifang; Albrecht-Schmitt, Thomas E; Wang, Shuao","Surprising coordination for low-valent actinides resembling uranyl(vi) in thorium(iv) organic hybrid layered and framework structures based on a graphene-like (6,3) sheet topology.","Dalton transactions (Cambridge, England : 2003)","2016","45","3","918","921","10.1039/c5dt04183j","","","0.71073","MoKα","","0.1005","0.061","","","0.132","0.148","","","","","","1.035","","","","has coordinates","176039","2020-10-21","18:00:00",""
"7037587","13.052","0.005","16.309","0.005","19.758","0.005","72.567","0.005","88.003","0.005","81.935","0.005","3973","2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C16 Cu4 N12 O64 Si W12 -","- C16 Cu4 N12 O64 Si W12 -","- C32 Cu8 N24 O128 Si2 W24 -","2","1","","Sun, Jing-Wen; Yan, Peng-Fei; An, Guang-Hui; Sha, Jing-Quan; Wang, Cheng; Li, Guang-Ming","POM species, temperature and counterions modulated the various dimensionalities of POM-based metal-organic frameworks.","Dalton transactions (Cambridge, England : 2003)","2016","45","4","1657","1667","10.1039/c5dt04094a","","","0.71069","MoKα","","0.1235","0.0917","","","0.2467","0.2749","","","","","","1.041","","","","has coordinates","176012","2020-10-21","18:00:00",""
"7037588","12.635","0.005","12.955","0.005","23.035","0.005","74.524","0.005","74.129","0.005","81.539","0.005","3484","2","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C12 H14 Cu3 Mo12 N9 O62 P -","- C12 H14 Cu3 Mo12 N9 O62 P -","- C24 H28 Cu6 Mo24 N18 O124 P2 -","2","1","","Sun, Jing-Wen; Yan, Peng-Fei; An, Guang-Hui; Sha, Jing-Quan; Wang, Cheng; Li, Guang-Ming","POM species, temperature and counterions modulated the various dimensionalities of POM-based metal-organic frameworks.","Dalton transactions (Cambridge, England : 2003)","2016","45","4","1657","1667","10.1039/c5dt04094a","","","0.71069","MoKα","","0.0499","0.0386","","","0.0938","0.1","","","","","","1.034","","","","has coordinates","176012","2020-10-21","18:00:00",""
"7037589","13.068","0.005","25.151","0.005","25.404","0.005","90","","107.65","0.013","90","","7957","4","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C16 H19 Cu4 Mo12 N12 O73 P -","- C16 H19 Cu4 Mo12 N12 O73 P -","- C64 H76 Cu16 Mo48 N48 O292 P4 -","4","1","","Sun, Jing-Wen; Yan, Peng-Fei; An, Guang-Hui; Sha, Jing-Quan; Wang, Cheng; Li, Guang-Ming","POM species, temperature and counterions modulated the various dimensionalities of POM-based metal-organic frameworks.","Dalton transactions (Cambridge, England : 2003)","2016","45","4","1657","1667","10.1039/c5dt04094a","","","0.71069","MoKα","","0.0589","0.0438","","","0.1082","0.1189","","","","","","1.069","","","","has coordinates","176012","2020-10-21","18:00:00",""
"7037590","14.091","0.005","14.931","0.005","15.928","0.005","63.423","0.005","64.085","0.005","64.562","0.005","2579.1","1.5","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C24 H16 Cu6 N18 O81 P W12 -","- C24 H16 Cu6 N18 O81 P W12 -","- C24 H16 Cu6 N18 O81 P W12 -","1","0.5","","Sun, Jing-Wen; Yan, Peng-Fei; An, Guang-Hui; Sha, Jing-Quan; Wang, Cheng; Li, Guang-Ming","POM species, temperature and counterions modulated the various dimensionalities of POM-based metal-organic frameworks.","Dalton transactions (Cambridge, England : 2003)","2016","45","4","1657","1667","10.1039/c5dt04094a","","","0.71069","MoKα","","0.0555","0.0481","","","0.1045","0.1071","","","","","","1.177","","","","has coordinates","176012","2020-10-21","18:00:00",""
"7037591","19.474","0.005","14.863","0.005","22.876","0.005","90","0.005","106.428","0.005","90","0.005","6351","3","293","2","293","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C16 H30 Cu2 N8 O55 Si W12 -","- C16 H30 Cu2 N8 O55 Si W12 -","- C64 H120 Cu8 N32 O220 Si4 W48 -","4","0.5","","Sun, Jing-Wen; Yan, Peng-Fei; An, Guang-Hui; Sha, Jing-Quan; Wang, Cheng; Li, Guang-Ming","POM species, temperature and counterions modulated the various dimensionalities of POM-based metal-organic frameworks.","Dalton transactions (Cambridge, England : 2003)","2016","45","4","1657","1667","10.1039/c5dt04094a","","","0.71069","MoKα","","0.0818","0.0753","","","0.1479","0.1512","","","","","","1.239","","","","has coordinates","176012","2020-10-21","18:00:00",""
"7037592","11.663","0.005","41.37","0.005","15.438","0.005","90","","128.24","0.02","90","","5850","4","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C12 H26 Cu N5 O48 Si W12 -","- C12 H26 Cu N5 O48 Si W12 -","- C48 H104 Cu4 N20 O192 Si4 W48 -","4","1","","Sun, Jing-Wen; Yan, Peng-Fei; An, Guang-Hui; Sha, Jing-Quan; Wang, Cheng; Li, Guang-Ming","POM species, temperature and counterions modulated the various dimensionalities of POM-based metal-organic frameworks.","Dalton transactions (Cambridge, England : 2003)","2016","45","4","1657","1667","10.1039/c5dt04094a","","","0.71069","MoKα","","0.1614","0.1334","","","0.2566","0.2738","","","","","","1.108","","","","has coordinates","176012","2020-10-21","18:00:00",""
"7037593","12.435","0.003","18.083","0.004","13.998","0.003","90","","90.39","0.03","90","","3147.5","1.2","123","1","123","1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","[Eu(p-HC6F4NC2H4NEt2)2(dme)]","[Eu(p-HC6F4NC2H4NEt2)2(dme)]","","- C28 H40 Eu F8 N4 O2 -","- C28 H40 Eu F8 N4 O2 -","- C112 H160 Eu4 F32 N16 O8 -","4","1","","Deacon, Glen B.; Junk, Peter C.; Kelly, Rory P.; Wang, Jun","Exploring the effect of the Ln(III)/Ln(II) redox potential on C-F activation and on oxidation of some lanthanoid organoamides.","Dalton transactions (Cambridge, England : 2003)","2016","45","4","1422","1435","10.1039/c5dt04239a","","","0.71073","MoKα","","0.0408","0.0325","","","0.0903","0.0989","","","","","","1.034","","","","has coordinates","176013","2020-10-21","18:00:00",""
"7037594","19.262","0.004","13.409","0.003","30.044","0.006","90","","94.31","0.03","90","","7738","3","123","1","123","1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","[Yb(p-HC6F4NNEt2)3]","","","- C36 H45 F12 N6 Yb -","- C36 H45 F12 N6 Yb -","- C288 H360 F96 N48 Yb8 -","8","1","","Deacon, Glen B.; Junk, Peter C.; Kelly, Rory P.; Wang, Jun","Exploring the effect of the Ln(III)/Ln(II) redox potential on C-F activation and on oxidation of some lanthanoid organoamides.","Dalton transactions (Cambridge, England : 2003)","2016","45","4","1422","1435","10.1039/c5dt04239a","","","0.71073","MoKα","","0.0757","0.042","","","0.0981","0.113","","","","","","1.018","","","","has coordinates","176013","2020-10-21","18:00:00",""
"7037595","10.1983","0.0003","18.4351","0.0006","16.4881","0.0006","90","","92.132","0.001","90","","3097.73","0.18","123","1","123.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C28 H38 Eu F8 N4 O2 -","- C28 H38 Eu F8 N4 O2 -","- C112 H152 Eu4 F32 N16 O8 -","4","1","","Deacon, Glen B.; Junk, Peter C.; Kelly, Rory P.; Wang, Jun","Exploring the effect of the Ln(III)/Ln(II) redox potential on C-F activation and on oxidation of some lanthanoid organoamides.","Dalton transactions (Cambridge, England : 2003)","2016","45","4","1422","1435","10.1039/c5dt04239a","","","0.71073","MoKα","","0.0429","0.0296","","","0.0694","0.0774","","","","","","1.053","","","","has coordinates","176013","2020-10-21","18:00:00",""
"7037596","13.2169","0.001","16.1371","0.0011","33.29","0.003","90","","90","","90","","7100.2","1","123","1","123.15","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C32 H46 Eu F8 N4 O2 -","- C32 H46 Eu F8 N4 O2 -","- C256 H368 Eu8 F64 N32 O16 -","8","2","","Deacon, Glen B.; Junk, Peter C.; Kelly, Rory P.; Wang, Jun","Exploring the effect of the Ln(III)/Ln(II) redox potential on C-F activation and on oxidation of some lanthanoid organoamides.","Dalton transactions (Cambridge, England : 2003)","2016","45","4","1422","1435","10.1039/c5dt04239a","","","0.71073","MoKα","","0.1831","0.0687","","","0.1134","0.1517","","","","","","0.928","","","","has coordinates","176013","2020-10-21","18:00:00",""
"7037597","8.8112","0.0002","9.3315","0.0002","17.4996","0.0006","99.446","0.002","98.497","0.002","97.281","0.002","1386.85","0.07","123","1","123","1","","","","","","","","7","P -1","-P 1","2","","","","- C24 H30 Eu F8 I N4 O -","- C24 H30 Eu F8 I N4 O -","- C48 H60 Eu2 F16 I2 N8 O2 -","2","1","","Deacon, Glen B.; Junk, Peter C.; Kelly, Rory P.; Wang, Jun","Exploring the effect of the Ln(III)/Ln(II) redox potential on C-F activation and on oxidation of some lanthanoid organoamides.","Dalton transactions (Cambridge, England : 2003)","2016","45","4","1422","1435","10.1039/c5dt04239a","","","0.71073","MoKα","","0.0372","0.0303","","","0.067","0.0703","","","","","","1.042","","","","has coordinates,has disorder","176013","2020-10-21","18:00:00",""
"7037598","9.722","0.0004","9.7602","0.0004","17.8081","0.0006","90.112","0.002","104.966","0.002","98.25","0.002","1614.23","0.11","123","1","123.15","","","","","","","","","5","P -1","-P 1","2","","","","- C30 H33 Eu F12 N6 -","- C30 H33 Eu F12 N6 -","- C60 H66 Eu2 F24 N12 -","2","1","","Deacon, Glen B.; Junk, Peter C.; Kelly, Rory P.; Wang, Jun","Exploring the effect of the Ln(III)/Ln(II) redox potential on C-F activation and on oxidation of some lanthanoid organoamides.","Dalton transactions (Cambridge, England : 2003)","2016","45","4","1422","1435","10.1039/c5dt04239a","","","0.71073","MoKα","","0.0554","0.0416","","","0.0895","0.0961","","","","","","1.029","","","","has coordinates","176013","2020-10-21","18:00:00",""
"7037599","9.3478","0.0003","10.3678","0.0003","14.5933","0.0004","79.421","0.002","83.901","0.002","85.031","0.002","1379.15","0.07","123","1","123","1","","","","","","","","6","P -1","-P 1","2","[YbI(p-HC6F4NC2H4NEt2)2]","","","- C24 H30 F8 I N4 Yb -","- C24 H30 F8 I N4 Yb -","- C48 H60 F16 I2 N8 Yb2 -","2","1","","Deacon, Glen B.; Junk, Peter C.; Kelly, Rory P.; Wang, Jun","Exploring the effect of the Ln(III)/Ln(II) redox potential on C-F activation and on oxidation of some lanthanoid organoamides.","Dalton transactions (Cambridge, England : 2003)","2016","45","4","1422","1435","10.1039/c5dt04239a","","","0.71073","MoKα","","0.0389","0.0332","","","0.0752","0.0779","","","","","","1.03","","","","has coordinates,has disorder","176013","2020-10-21","18:00:00",""
"7037600","9.743","0.0019","9.781","0.002","17.828","0.004","89.78","0.03","75.07","0.03","81.69","0.03","1623.4","0.6","100","2","100","","","","","","","","","5","P -1","-P 1","2","","","","- C30 H33 F12 N6 Sm -","- C30 H33 F12 N6 Sm -","- C60 H66 F24 N12 Sm2 -","2","1","","Deacon, Glen B.; Junk, Peter C.; Kelly, Rory P.; Wang, Jun","Exploring the effect of the Ln(III)/Ln(II) redox potential on C-F activation and on oxidation of some lanthanoid organoamides.","Dalton transactions (Cambridge, England : 2003)","2016","45","4","1422","1435","10.1039/c5dt04239a","","","0.7109","Synchrotron","","0.031","0.0306","","","0.0795","0.0798","","","","","","1.075","","","","has coordinates","176013","2020-10-21","18:00:00",""
"7037601","22.323","0.003","22.323","0.003","53.058","0.011","90","","90","","120","","22897","6","100","2","100","","","","","","","","","5","R -3","-R 3","148","","","","- C70.5 H78 F27 N12 Sm3 -","- C70.5 H78 F27 N12 Sm3 -","- C846 H936 F324 N144 Sm36 -","12","","","Deacon, Glen B.; Junk, Peter C.; Kelly, Rory P.; Wang, Jun","Exploring the effect of the Ln(III)/Ln(II) redox potential on C-F activation and on oxidation of some lanthanoid organoamides.","Dalton transactions (Cambridge, England : 2003)","2016","45","4","1422","1435","10.1039/c5dt04239a","","","0.71196","Synchrotron","","0.0682","0.054","","","0.1447","0.1538","","","","","","1.035","","","","has coordinates","176013","2020-10-21","18:00:00",""
"7037602","14.519","0.003","13.306","0.003","20.545","0.004","90","","99.08","0.03","90","","3919.3","1.5","100","2","100","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C82 H92 D12 F10 N8 Sm2 -","- C82 H92 D12 F10 N8 Sm2 -","- C164 H184 D24 F20 N16 Sm4 -","2","0.5","","Deacon, Glen B.; Junk, Peter C.; Kelly, Rory P.; Wang, Jun","Exploring the effect of the Ln(III)/Ln(II) redox potential on C-F activation and on oxidation of some lanthanoid organoamides.","Dalton transactions (Cambridge, England : 2003)","2016","45","4","1422","1435","10.1039/c5dt04239a","","","0.7108","Synchrotron","","0.0502","0.048","","","0.1168","0.1182","","","","","","1.057","","","","has coordinates","176013","2020-10-21","18:00:00",""
"7037603","11.61","0.002","12.902","0.003","15.759","0.003","90.19","0.03","91.45","0.03","95.12","0.03","2350.4","0.8","100","2","100","","","","","","","","","6","P -1","-P 1","2","","","","- C79 H98 Eu4 F26 N12 O2 -","- C79 H98 Eu4 F26 N12 O2 -","- C79 H98 Eu4 F26 N12 O2 -","1","0.5","","Deacon, Glen B.; Junk, Peter C.; Kelly, Rory P.; Wang, Jun","Exploring the effect of the Ln(III)/Ln(II) redox potential on C-F activation and on oxidation of some lanthanoid organoamides.","Dalton transactions (Cambridge, England : 2003)","2016","45","4","1422","1435","10.1039/c5dt04239a","","","0.7108","Synchrotron","","0.046","0.0435","","","0.1101","0.1122","","","","","","1.091","","","","has coordinates,has disorder","176013","2020-10-21","18:00:00",""
"7037604","17.7667","0.0004","19.5336","0.0005","20.8577","0.0005","72.13","0.002","67.919","0.002","78.661","0.002","6356.9","0.3","123","2","123","2","","","","","","","","4","P -1","-P 1","2","","","","- C147.5 H173.5 Mn N4 -","- C147.5 H173.5 Mn N4 -","- C295 H347 Mn2 N8 -","2","1","","Fohlmeister, Lea; Jones, Cameron","Stabilisation of carbonyl free amidinato-manganese(ii) hydride complexes: ""masked"" sources of manganese(i) in organometallic synthesis.","Dalton transactions (Cambridge, England : 2003)","2016","45","4","1436","1442","10.1039/c5dt04504e","","","0.71073","MoKα","","0.0842","0.0613","","","0.1776","0.2003","","","","","","1.05","","","","has coordinates,has disorder","176016","2020-10-21","18:00:00",""
"7037605","10.3891","0.0004","10.6635","0.0004","14.1219","0.0006","108.98","0.003","102.353","0.003","105.95","0.003","1340.99","0.11","123","2","123","2","","","","","","","","4","P -1","-P 1","2","","","","- C58 H88 Mn2 N4 -","- C58 H88 Mn2 N4 -","- C58 H88 Mn2 N4 -","1","0.5","","Fohlmeister, Lea; Jones, Cameron","Stabilisation of carbonyl free amidinato-manganese(ii) hydride complexes: ""masked"" sources of manganese(i) in organometallic synthesis.","Dalton transactions (Cambridge, England : 2003)","2016","45","4","1436","1442","10.1039/c5dt04504e","","","0.71073","MoKα","","0.0655","0.0543","","","0.1419","0.1503","","","","","","1.061","","","","has coordinates,has disorder","176016","2020-10-21","18:00:00",""
"7037606","12.3353","0.0006","19.0705","0.001","15.5764","0.0008","90","","101.664","0.002","90","","3588.5","0.3","123","2","123","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C68 H110 Br2 Mn2 N6 -","- C68 H110 Br2 Mn2 N6 -","- C136 H220 Br4 Mn4 N12 -","2","0.5","","Fohlmeister, Lea; Jones, Cameron","Stabilisation of carbonyl free amidinato-manganese(ii) hydride complexes: ""masked"" sources of manganese(i) in organometallic synthesis.","Dalton transactions (Cambridge, England : 2003)","2016","45","4","1436","1442","10.1039/c5dt04504e","","","0.71073","MoKα","","0.1063","0.0736","","","0.1262","0.1432","","","","","","1.147","","","","has coordinates","176016","2020-10-21","18:00:00",""
"7037607","22.945","0.002","22.945","0.002","40.907","0.003","90","","90","","120","","18651","3","123","2","123","2","","","","","","","","4","P -3 c 1","-P 3 2""c","165","","","","- C205.5 H226.5 Mn3 N6 -","- C205.5 H226.5 Mn3 N6 -","- C822 H906 Mn12 N24 -","4","0.333333","","Fohlmeister, Lea; Jones, Cameron","Stabilisation of carbonyl free amidinato-manganese(ii) hydride complexes: ""masked"" sources of manganese(i) in organometallic synthesis.","Dalton transactions (Cambridge, England : 2003)","2016","45","4","1436","1442","10.1039/c5dt04504e","","","0.71073","MoKα","","0.1532","0.0898","","","0.2202","0.255","","","","","","1.059","","","","has coordinates,has disorder","176016","2020-10-21","18:00:00",""
"7037608","9.5137","0.0004","10.4772","0.0005","17.1114","0.0008","85.869","0.004","83.117","0.004","67.869","0.004","1567.89","0.13","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C33 H43 Mn N2 O4 -","- C33 H43 Mn N2 O4 -","- C66 H86 Mn2 N4 O8 -","2","1","","Fohlmeister, Lea; Jones, Cameron","Stabilisation of carbonyl free amidinato-manganese(ii) hydride complexes: ""masked"" sources of manganese(i) in organometallic synthesis.","Dalton transactions (Cambridge, England : 2003)","2016","45","4","1436","1442","10.1039/c5dt04504e","","","0.71073","MoKα","","0.0785","0.0544","","","0.1217","0.1364","","","","","","1.052","","","","has coordinates,has disorder","176016","2020-10-21","18:00:00",""
"7037609","10.2505","0.0004","10.6927","0.0004","14.2503","0.0006","105.002","0.003","103.792","0.003","106.646","0.004","1360.52","0.11","123","2","123","2","","","","","","","","5","P -1","-P 1","2","","","","- C58 H86 Mn2 N4 O2 -","- C58 H86 Mn2 N4 O2 -","- C58 H86 Mn2 N4 O2 -","1","0.5","","Fohlmeister, Lea; Jones, Cameron","Stabilisation of carbonyl free amidinato-manganese(ii) hydride complexes: ""masked"" sources of manganese(i) in organometallic synthesis.","Dalton transactions (Cambridge, England : 2003)","2016","45","4","1436","1442","10.1039/c5dt04504e","","","0.71073","MoKα","","0.0803","0.0471","","","0.0806","0.0902","","","","","","0.954","","","","has coordinates,has disorder","176016","2020-10-21","18:00:00",""
"7037610","15.1838","0.0008","10.7957","0.0005","17.0882","0.0009","90","","106.129","0.005","90","","2690.8","0.2","123.1","","123.1","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C48 H88 N8 Na4 -","- C48 H88 N8 Na4 -","- C96 H176 N16 Na8 -","2","0.5","","Orr, Samantha A.; Kennedy, Alan R.; Liggat, John J.; McLellan, Ross; Mulvey, Robert E.; Robertson, Stuart D.","Accessible heavier s-block dihydropyridines: structural elucidation and reactivity of isolable molecular hydride sources.","Dalton transactions (Cambridge, England : 2003)","2016","45","14","6234","6240","10.1039/c5dt04224k","","","0.71073","MoKα","","0.0873","0.0562","","","0.1335","0.1521","","","","","","1.03","","","","has coordinates,has disorder","181716","2020-10-21","18:00:00",""
"7037611","9.9788","0.0009","13.1357","0.001","16.5894","0.0015","90","","104.163","0.009","90","","2108.4","0.3","123.3","","123.3","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C36 H74 N8 Na2 -","- C36 H74 N8 Na2 -","- C72 H148 N16 Na4 -","2","0.5","","Orr, Samantha A.; Kennedy, Alan R.; Liggat, John J.; McLellan, Ross; Mulvey, Robert E.; Robertson, Stuart D.","Accessible heavier s-block dihydropyridines: structural elucidation and reactivity of isolable molecular hydride sources.","Dalton transactions (Cambridge, England : 2003)","2016","45","14","6234","6240","10.1039/c5dt04224k","","","0.71073","MoKα","","0.0863","0.0576","","","0.1248","0.1428","","","","","","1.0471","","","","has coordinates","181716","2020-10-21","18:00:00",""
"7037612","22.6958","0.001","8.9464","0.0005","18.0264","0.0009","90","","94.489","0.004","90","","3649","0.3","123.1","","123.1","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","RMSO5","","- C30 H60 K2 N6 -","- C30 H60 K2 N6 -","- C120 H240 K8 N24 -","4","0.5","","Orr, Samantha A.; Kennedy, Alan R.; Liggat, John J.; McLellan, Ross; Mulvey, Robert E.; Robertson, Stuart D.","Accessible heavier s-block dihydropyridines: structural elucidation and reactivity of isolable molecular hydride sources.","Dalton transactions (Cambridge, England : 2003)","2016","45","14","6234","6240","10.1039/c5dt04224k","","","0.71073","MoKα","","0.0831","0.052","","","0.1009","0.1134","","","","","","1.036","","","","has coordinates,has disorder","181716","2020-10-21","18:00:00",""
"7037613","14.0503","0.0006","10.0747","0.0004","15.3534","0.0005","90","","94.143","0.003","90","","2167.63","0.15","123","2","123","2","","","","","","","","4","P 1 2/n 1","-P 2yac","13","","","","- C36 H74 K2 N8 -","- C36 H74 K2 N8 -","- C72 H148 K4 N16 -","2","0.5","","Orr, Samantha A.; Kennedy, Alan R.; Liggat, John J.; McLellan, Ross; Mulvey, Robert E.; Robertson, Stuart D.","Accessible heavier s-block dihydropyridines: structural elucidation and reactivity of isolable molecular hydride sources.","Dalton transactions (Cambridge, England : 2003)","2016","45","14","6234","6240","10.1039/c5dt04224k","","","0.71073","MoKα","","0.0751","0.0475","","","0.0911","0.1015","","","","","","1.046","","","","has coordinates,has disorder","181716","2020-10-21","18:00:00",""
"7037614","6.1733","0.0004","10.6514","0.0007","10.9928","0.0007","81.269","0.005","88.887","0.005","76.025","0.005","693.19","0.08","123.3","","123.3","","","","","","","","","5","P -1","-P 1","2","","","","- C26 H44 K2 N2 O2 -","- C26 H44 K2 N2 O2 -","- C26 H44 K2 N2 O2 -","1","0.5","","Orr, Samantha A.; Kennedy, Alan R.; Liggat, John J.; McLellan, Ross; Mulvey, Robert E.; Robertson, Stuart D.","Accessible heavier s-block dihydropyridines: structural elucidation and reactivity of isolable molecular hydride sources.","Dalton transactions (Cambridge, England : 2003)","2016","45","14","6234","6240","10.1039/c5dt04224k","","","0.71073","MoKα","","0.0453","0.0387","","","0.098","0.1028","","","","","","1.0497","","","","has coordinates,has disorder","181716","2020-10-21","18:00:00",""
"7037615","10.8638","0.0003","16.9433","0.0004","25.4176","0.0005","90","","98.39","0.002","90","","4628.51","0.19","290","2","290","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C52 H60 N Ni O2 P -","- C52 H60 N Ni O2 P -","- C208 H240 N4 Ni4 O8 P4 -","4","1","","Hu, Xiaohui; Dai, Shengyu; Chen, Changle","Ethylene polymerization by salicylaldimine nickel(ii) complexes containing a dibenzhydryl moiety.","Dalton transactions (Cambridge, England : 2003)","2016","45","4","1496","1503","10.1039/c5dt04408a","","","1.54184","CuKα","","0.0757","0.0554","","","0.1495","0.1665","","","","","","1.04","","","","has coordinates,has disorder","176020","2020-10-21","18:00:00",""
"7037616","10.757","0.0005","16.9845","0.0006","25.3737","0.001","90","","97.853","0.004","90","","4592.4","0.3","291","2","291","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C52 H60 N Ni O P -","- C52 H60 N Ni O P -","- C208 H240 N4 Ni4 O4 P4 -","4","1","","Hu, Xiaohui; Dai, Shengyu; Chen, Changle","Ethylene polymerization by salicylaldimine nickel(ii) complexes containing a dibenzhydryl moiety.","Dalton transactions (Cambridge, England : 2003)","2016","45","4","1496","1503","10.1039/c5dt04408a","","","0.71073","MoKα","","0.1041","0.057","","","0.1247","0.1468","","","","","","1.018","","","","has coordinates,has disorder","176020","2020-10-21","18:00:00",""
"7037617","13.3439","0.0013","18.937","0.002","19.2118","0.0016","90","","115.388","0.005","90","","4385.9","0.8","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C45 H36 Cu4 F3 N5 O13 -","- C45 H36 Cu4 F3 N5 O13 -","- C180 H144 Cu16 F12 N20 O52 -","4","1","","Escuer, A.; Mayans, J.; Font-Bardia, M","Copper(ii) cubanes with a {Cu4O} core and well defined S = 1 ground state.","Dalton transactions (Cambridge, England : 2003)","2016","45","4","1604","1613","10.1039/c5dt03643g","","","0.71073","MoKα","","0.0866","0.0676","","","0.1683","0.1914","","","","","","1.09","","","","has coordinates","176026","2020-10-21","18:00:00",""
"7037618","38.53","0.003","13.5293","0.0011","19.4464","0.0014","90","","92.806","0.004","90","","10124.9","1.4","302","2","302","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C52 H40 Cu4 F4 N4 O12 -","- C52 H40 Cu4 F4 N4 O12 -","- C416 H320 Cu32 F32 N32 O96 -","8","1","","Escuer, A.; Mayans, J.; Font-Bardia, M","Copper(ii) cubanes with a {Cu4O} core and well defined S = 1 ground state.","Dalton transactions (Cambridge, England : 2003)","2016","45","4","1604","1613","10.1039/c5dt03643g","","","0.71073","MoKα","","0.079","0.0485","","","0.1265","0.1472","","","","","","1.083","","","","has coordinates","176026","2020-10-21","18:00:00",""
"7037619","41.241","0.0018","13.4071","0.0006","19.589","0.0009","90","","107.999","0.002","90","","10301.1","0.8","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C210 H178 Cu16 F16 N16 O55 -","- C210 H176 Cu16 F16 N16 O55 -","- C420 H352 Cu32 F32 N32 O110 -","2","0.25","","Escuer, A.; Mayans, J.; Font-Bardia, M","Copper(ii) cubanes with a {Cu4O} core and well defined S = 1 ground state.","Dalton transactions (Cambridge, England : 2003)","2016","45","4","1604","1613","10.1039/c5dt03643g","","","0.71073","MoKα","","0.0421","0.0326","","","0.0837","0.0891","","","","","","1.051","","","","has coordinates,has disorder","176026","2020-10-21","18:00:00",""
"7037620","18.6548","0.0008","12.8018","0.0006","20.06","0.0009","90","","102.581","0.005","90","","4675.6","0.4","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C38 H70 N6 O2 P3 Y -","- C38 H70 N6 O2 P3 Y -","- C152 H280 N24 O8 P12 Y4 -","4","0.5","","Wang, Yongli; Guo, Wenzhen; Liu, Dongling; Yang, Ying; Zheng, Wenjun","1,2,4-Diazaphospholide complexes of yttrium(iii), dysprosium(iii), erbium(iii), and europium(ii,iii): synthesis, X-ray structural characterization, and EPR analysis.","Dalton transactions (Cambridge, England : 2003)","2016","45","3","899","903","10.1039/c5dt04285b","","","0.71073","MoKα","","0.0788","0.0495","","","0.0941","0.1009","","","","","","0.972","","","","has coordinates,has disorder","176056","2020-10-21","18:00:00",""
"7037621","18.5513","0.001","12.7599","0.0005","19.9743","0.0011","90","","102.571","0.005","90","","4614.8","0.4","298","2","298","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C38 H70 Er N6 O2 P3 -","- C38 H70 Er N6 O2 P3 -","- C152 H280 Er4 N24 O8 P12 -","4","0.5","","Wang, Yongli; Guo, Wenzhen; Liu, Dongling; Yang, Ying; Zheng, Wenjun","1,2,4-Diazaphospholide complexes of yttrium(iii), dysprosium(iii), erbium(iii), and europium(ii,iii): synthesis, X-ray structural characterization, and EPR analysis.","Dalton transactions (Cambridge, England : 2003)","2016","45","3","899","903","10.1039/c5dt04285b","","x-ray","0.71073","MoKα","","0.0789","0.0549","","","0.1146","0.1275","","","","","","1.081","","","","has coordinates,has disorder","176056","2020-10-21","18:00:00",""
"7037622","18.5609","0.0006","12.7972","0.0004","20.0361","0.0006","90","","102.531","0.003","90","","4645.8","0.3","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C38 H70 Dy N6 O2 P3 -","- C38 H70 Dy N6 O2 P3 -","- C152 H280 Dy4 N24 O8 P12 -","4","0.5","","Wang, Yongli; Guo, Wenzhen; Liu, Dongling; Yang, Ying; Zheng, Wenjun","1,2,4-Diazaphospholide complexes of yttrium(iii), dysprosium(iii), erbium(iii), and europium(ii,iii): synthesis, X-ray structural characterization, and EPR analysis.","Dalton transactions (Cambridge, England : 2003)","2016","45","3","899","903","10.1039/c5dt04285b","","","0.71073","MoKα","","0.0349","0.0293","","","0.0667","0.0688","","","","","","1.057","","","","has coordinates,has disorder","176056","2020-10-21","18:00:00",""
"7037623","15.7119","0.0014","19.192","0.002","27.436","0.002","90","","92.394","0.007","90","","8265.9","1.3","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C64 H120 K N8 O6 P4 Y -","- C64 H120 K N8 O6 P4 Y -","- C256 H480 K4 N32 O24 P16 Y4 -","4","1","","Wang, Yongli; Guo, Wenzhen; Liu, Dongling; Yang, Ying; Zheng, Wenjun","1,2,4-Diazaphospholide complexes of yttrium(iii), dysprosium(iii), erbium(iii), and europium(ii,iii): synthesis, X-ray structural characterization, and EPR analysis.","Dalton transactions (Cambridge, England : 2003)","2016","45","3","899","903","10.1039/c5dt04285b","","","0.71073","MoKα","","0.1801","0.0835","","","0.2032","0.2395","","","","","","0.985","","","","has coordinates,has disorder","176056","2020-10-21","18:00:00",""
"7037624","20.693","0.0005","12.1401","0.0003","21.7951","0.0005","90","","101.795","0.002","90","","5359.6","0.2","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C40 H72 Eu K2 N8 P4 -","- C40 H72 Eu K2 N8 P4 -","- C160 H288 Eu4 K8 N32 P16 -","4","1","","Wang, Yongli; Guo, Wenzhen; Liu, Dongling; Yang, Ying; Zheng, Wenjun","1,2,4-Diazaphospholide complexes of yttrium(iii), dysprosium(iii), erbium(iii), and europium(ii,iii): synthesis, X-ray structural characterization, and EPR analysis.","Dalton transactions (Cambridge, England : 2003)","2016","45","3","899","903","10.1039/c5dt04285b","","x-ray","0.71073","MoKα","","0.0721","0.042","","","0.0832","0.0949","","","","","","1.018","","","","has coordinates,has disorder","176056","2020-10-21","18:00:00",""
"7037625","17.451","0.0008","21.6779","0.0009","22.1731","0.0007","90","","90","","90","","8388.1","0.6","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C77 H58 Eu K2 N10 P5 -","- C77 H58 Eu K2 N10 P5 -","- C308 H232 Eu4 K8 N40 P20 -","4","1","","Wang, Yongli; Guo, Wenzhen; Liu, Dongling; Yang, Ying; Zheng, Wenjun","1,2,4-Diazaphospholide complexes of yttrium(iii), dysprosium(iii), erbium(iii), and europium(ii,iii): synthesis, X-ray structural characterization, and EPR analysis.","Dalton transactions (Cambridge, England : 2003)","2016","45","3","899","903","10.1039/c5dt04285b","","x-ray","0.71073","MoKα","","0.1198","0.0724","","","0.1539","0.1793","","","","","","0.979","","","","has coordinates","176056","2020-10-21","18:00:00",""
"7037626","16.2188","0.0007","15.6604","0.0006","21.858","0.0009","90","","98.26","0.004","90","","5494.2","0.4","173","","173","","","","","","","","","9","P 1 21/c 1","-P 2ybc","14","","","","- C54 H48 B2 Cl4 F4 N6 P2 Ru S -","- C54 H48 B2 Cl4 F4 N6 P2 Ru S -","- C216 H192 B8 Cl16 F16 N24 P8 Ru4 S4 -","4","1","","Zhuo, Qingde; Chen, Zhiyong; Yang, Yuhui; Zhou, Xiaoxi; Han, Feifei; Zhu, Jun; Zhang, Hong; Xia, Haiping","Synthesis of aromatic ruthenabenzothiophenes via C-H activation of thiophenes.","Dalton transactions (Cambridge, England : 2003)","2016","45","3","913","917","10.1039/c5dt04557f","","","0.71073","MoKα","","0.0744","0.0518","","","0.1004","0.1095","","","","","","1.036","","","","has coordinates","176059","2020-10-21","18:00:00",""
"7037627","13.121","0.0003","21.365","0.0004","20.9552","0.0004","90","","101.63","0.002","90","","5753.8","0.2","123","2","123","2","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C63 H55 Cl6 O P3 Ru S -","- C63 H55 Cl6 O P3 Ru S -","- C252 H220 Cl24 O4 P12 Ru4 S4 -","4","1","","Zhuo, Qingde; Chen, Zhiyong; Yang, Yuhui; Zhou, Xiaoxi; Han, Feifei; Zhu, Jun; Zhang, Hong; Xia, Haiping","Synthesis of aromatic ruthenabenzothiophenes via C-H activation of thiophenes.","Dalton transactions (Cambridge, England : 2003)","2016","45","3","913","917","10.1039/c5dt04557f","","","0.71073","MoKα","","0.051","0.0387","","","0.0879","0.1153","","","","","","1.033","","","","has coordinates,has disorder","176059","2020-10-21","18:00:00",""
"7037628","42.42","0.002","16.0779","0.0008","19.2499","0.0008","90","","113.694","0.006","90","","12022.2","1.1","173","0.14","173","","","","","","","","","10","C 1 2/c 1","-C 2yc","15","","","","- C56 H54 B2 Cl2 F4 N6 O4.5 P2 Ru S -","- C56 H49 B2 Cl2 F4 N6 O4.5 P2 Ru S -","- C448 H392 B16 Cl16 F32 N48 O36 P16 Ru8 S8 -","8","1","","Zhuo, Qingde; Chen, Zhiyong; Yang, Yuhui; Zhou, Xiaoxi; Han, Feifei; Zhu, Jun; Zhang, Hong; Xia, Haiping","Synthesis of aromatic ruthenabenzothiophenes via C-H activation of thiophenes.","Dalton transactions (Cambridge, England : 2003)","2016","45","3","913","917","10.1039/c5dt04557f","","","0.71073","MoKα","","0.0973","0.0682","","","0.162","0.1759","","","","","","1.077","","","","has coordinates,has disorder","176059","2020-10-21","18:00:00",""
"7037629","9.2119","0.0006","23.8207","0.0015","11.1023","0.0007","90","","105.486","0.003","90","","2347.8","0.3","150","2","150","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C20 H19 Cl2 F5 N O3 P S -","- C20 H19 Cl2 F5 N O3 P S -","- C80 H76 Cl8 F20 N4 O12 P4 S4 -","4","1","","Bayne, Julia M.; Holthausen, Michael H.; Stephan, Douglas W.","Pyridinium-phosphonium dications: highly electrophilic phosphorus-based Lewis acid catalysts.","Dalton transactions (Cambridge, England : 2003)","2016","45","14","5949","5957","10.1039/c5dt03796d","","","0.71073","MoKα","","0.053","0.0444","","","0.113","0.1192","","","","","","1.028","","","","has coordinates","181745","2020-10-21","18:00:00",""
"7037630","8.157","0.005","11.063","0.005","14.545","0.005","71.127","0.005","77.393","0.005","84.08","0.005","1211.3","1","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C20 H17 F7 N O6 P S2 -","- C20 H17 F7 N O6 P S2 -","- C40 H34 F14 N2 O12 P2 S4 -","2","1","","Bayne, Julia M.; Holthausen, Michael H.; Stephan, Douglas W.","Pyridinium-phosphonium dications: highly electrophilic phosphorus-based Lewis acid catalysts.","Dalton transactions (Cambridge, England : 2003)","2016","45","14","5949","5957","10.1039/c5dt03796d","","","0.71073","MoKα","","0.0509","0.0397","","","0.1016","0.109","","","","","","1.019","","","","has coordinates","181745","2020-10-21","18:00:00",""
"7037631","9.5205","0.0004","15.8198","0.0004","22.5477","0.0006","90","","98.075","0.003","90","","3362.29","0.19","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C41 H25 B F2 Fe N6 -","- C41 H25 B F2 Fe N6 -","- C164 H100 B4 F8 Fe4 N24 -","4","1","","Dhokale, Bhausaheb; Jadhav, Thaksen; Mobin, Shaikh M.; Misra, Rajneesh","Tetracyanobutadiene functionalized ferrocenyl BODIPY dyes.","Dalton transactions (Cambridge, England : 2003)","2016","45","4","1476","1483","10.1039/c5dt04037j","","","1.5418","CuKα","","0.0491","0.04","","","0.1027","0.1094","","","","","","1.028","","","","has coordinates","176037","2020-10-21","18:00:00",""
"7037632","11.1553","0.0003","11.106","0.0002","19.8706","0.0004","90","","94.691","0.002","90","","2453.54","0.09","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C27 H15 B F2 Fe N6 -","- C27 H15 B F2 Fe N6 -","- C108 H60 B4 F8 Fe4 N24 -","4","1","","Dhokale, Bhausaheb; Jadhav, Thaksen; Mobin, Shaikh M.; Misra, Rajneesh","Tetracyanobutadiene functionalized ferrocenyl BODIPY dyes.","Dalton transactions (Cambridge, England : 2003)","2016","45","4","1476","1483","10.1039/c5dt04037j","","","1.5418","CuKα","","0.0472","0.039","","","0.104","0.1131","","","","","","1.041","","","","has coordinates","176037","2020-10-21","18:00:00",""
"7037633","12.3126","0.0002","20.433","0.0003","23.8954","0.0005","90","","99.7407","0.0018","90","","5925.02","0.18","170","2","170","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C46 H71 Cl4 N13 Ni2 O13 -","- C46 H71 Cl4 N13 Ni2 O13 -","- C184 H284 Cl16 N52 Ni8 O52 -","4","1","","Möller, F; Merz, K.; Herrmann, C.; Apfel, U.-P.","Bimetallic nickel complexes for selective CO2 carbon capture and sequestration.","Dalton transactions (Cambridge, England : 2003)","2016","45","3","904","907","10.1039/c5dt04267d","","","1.54184","CuKα","","0.0612","0.0561","","","0.1591","0.1653","","","","","","1.065","","","","has coordinates","176041","2020-10-21","18:00:00",""
"7037634","14.0625","0.0017","23.576","0.002","21.767","0.002","90","","95.325","0.013","90","","7185.4","1.3","373","2","373","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C50 H83 Cl4 N9 Ni2 O13 -","- C50 H83 Cl4 N9 Ni2 O13 -","- C200 H332 Cl16 N36 Ni8 O52 -","4","1","","Möller, F; Merz, K.; Herrmann, C.; Apfel, U.-P.","Bimetallic nickel complexes for selective CO2 carbon capture and sequestration.","Dalton transactions (Cambridge, England : 2003)","2016","45","3","904","907","10.1039/c5dt04267d","","","0.71073","MoKα","","0.098","0.0463","","","0.0755","0.0806","","","","","","0.814","","","","has coordinates,has disorder","176041","2020-10-21","18:00:00",""
"7037635","17.1218","0.0013","15.9325","0.0014","19.4659","0.0015","90","","115.046","0.008","90","","4810.8","0.7","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C41 H63 Cl3 N10 Ni2 O12 -","- C41 H63 Cl3 N10 Ni2 O12 -","- C164 H252 Cl12 N40 Ni8 O48 -","4","1","","Möller, F; Merz, K.; Herrmann, C.; Apfel, U.-P.","Bimetallic nickel complexes for selective CO2 carbon capture and sequestration.","Dalton transactions (Cambridge, England : 2003)","2016","45","3","904","907","10.1039/c5dt04267d","","","0.71073","MoKα","","0.0522","0.0342","","","0.0834","0.0876","","","","","","0.961","","","","has coordinates","176041","2020-10-21","18:00:00",""
"7037636","11.1608","0.0003","15.0248","0.0003","16.3126","0.0003","112.164","0.0018","91.4575","0.0018","94.8008","0.0017","2519.6","0.1","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C42 H63 Cl3 N14 Ni2 O12 -","- C42 H63 Cl3 N14 Ni2 O12 -","- C84 H126 Cl6 N28 Ni4 O24 -","2","1","","Möller, F; Merz, K.; Herrmann, C.; Apfel, U.-P.","Bimetallic nickel complexes for selective CO2 carbon capture and sequestration.","Dalton transactions (Cambridge, England : 2003)","2016","45","3","904","907","10.1039/c5dt04267d","","","1.54184","CuKα","","0.052","0.0458","","","0.1199","0.1252","","","","","","1.027","","","","has coordinates,has disorder","176041","2020-10-21","18:00:00",""
"7037637","4.74771","0.00014","11.7147","0.0003","8.3144","0.0003","90","","93.055","0.003","90","","461.77","0.02","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C4 H14 Ni O8 -","- C4 H14 Ni O8 -","- C8 H28 Ni2 O16 -","2","0.5","","Möller, F; Merz, K.; Herrmann, C.; Apfel, U.-P.","Bimetallic nickel complexes for selective CO2 carbon capture and sequestration.","Dalton transactions (Cambridge, England : 2003)","2016","45","3","904","907","10.1039/c5dt04267d","","","0.71073","MoKα","","0.0587","0.037","","","0.0652","0.0715","","","","","","1.052","","","","has coordinates","176041","2020-10-21","18:00:00",""
"7037638","12.7102","0.0006","12.89","0.0005","19.9985","0.0009","90","","102.464","0.004","90","","3199.2","0.2","173","2","173","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C54 H87 Cl3 N14 Ni2 O12 -","- C54 H87 Cl3 N14 Ni2 O12 -","- C108 H174 Cl6 N28 Ni4 O24 -","2","1","","Möller, F; Merz, K.; Herrmann, C.; Apfel, U.-P.","Bimetallic nickel complexes for selective CO2 carbon capture and sequestration.","Dalton transactions (Cambridge, England : 2003)","2016","45","3","904","907","10.1039/c5dt04267d","","","1.54184","CuKα","","0.0536","0.0447","","","0.1109","0.1157","","","","","","1.035","","","","has coordinates","176041","2020-10-21","18:00:00",""
"7037639","11.6471","0.0012","11.1797","0.0009","15.9757","0.0013","90","","103.161","0.009","90","","2025.6","0.3","295","2","295","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C22 H13 Cl N3 O4 Re -","- C22 H13 Cl N3 O4 Re -","- C88 H52 Cl4 N12 O16 Re4 -","4","1","","Klemens, Tomasz; Switlicka-Olszewska, Anna; Machura, Barbara; Grucela, Marzena; Schab-Balcerzak, Ewa; Smolarek, Karolina; Mackowski, Sebastian; Szlapa, Agata; Kula, Slawomir; Krompiec, Stanisław; Lodowski, Piotr; Chrobok, Anna","Rhenium(i) terpyridine complexes - synthesis, photophysical properties and application in organic light emitting devices.","Dalton transactions (Cambridge, England : 2003)","2016","45","4","1746","1762","10.1039/c5dt04093k","","","0.71073","MoKα","","0.0556","0.0404","","","0.095","0.1048","","","","","","1.046","","","","has coordinates","176009","2020-10-21","18:00:00",""
"7037640","11.4946","0.0006","11.4393","0.0006","16.3187","0.0009","90","","103.256","0.005","90","","2088.6","0.2","295","2","295","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C22 H13 Cl N3 O3 Re S -","- C22 H13 Cl N3 O3 Re S -","- C88 H52 Cl4 N12 O12 Re4 S4 -","4","1","","Klemens, Tomasz; Switlicka-Olszewska, Anna; Machura, Barbara; Grucela, Marzena; Schab-Balcerzak, Ewa; Smolarek, Karolina; Mackowski, Sebastian; Szlapa, Agata; Kula, Slawomir; Krompiec, Stanisław; Lodowski, Piotr; Chrobok, Anna","Rhenium(i) terpyridine complexes - synthesis, photophysical properties and application in organic light emitting devices.","Dalton transactions (Cambridge, England : 2003)","2016","45","4","1746","1762","10.1039/c5dt04093k","","","0.71073","MoKα","","0.0479","0.0344","","","0.0792","0.0838","","","","","","1.061","","","","has coordinates","176009","2020-10-21","18:00:00",""
"7037641","15.0564","0.0006","7.5422","0.0003","24.6011","0.0013","90","","105.25","0.005","90","","2695.3","0.2","295","2","295","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C26 H19 Cl N3 O5 Re S2 -","- C26 H19 Cl N3 O5 Re S2 -","- C104 H76 Cl4 N12 O20 Re4 S8 -","4","1","","Klemens, Tomasz; Switlicka-Olszewska, Anna; Machura, Barbara; Grucela, Marzena; Schab-Balcerzak, Ewa; Smolarek, Karolina; Mackowski, Sebastian; Szlapa, Agata; Kula, Slawomir; Krompiec, Stanisław; Lodowski, Piotr; Chrobok, Anna","Rhenium(i) terpyridine complexes - synthesis, photophysical properties and application in organic light emitting devices.","Dalton transactions (Cambridge, England : 2003)","2016","45","4","1746","1762","10.1039/c5dt04093k","","","0.71073","MoKα","","0.0566","0.0411","","","0.0892","0.0964","","","","","","1.079","","","","has coordinates,has disorder","176009","2020-10-21","18:00:00",""
"7037642","18.6685","0.0011","11.8468","0.0007","20.9353","0.0012","90","","99.018","0.003","90","","4572.9","0.5","110","2","110","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C56 H46 N2 O4 P2 Ru -","- C56 H46 N2 O4 P2 Ru -","- C224 H184 N8 O16 P8 Ru4 -","4","1","","Jayanthi, Eswaran; Kalaiselvi, Sivalingam; Padma, Viswanatha Vijaya; Bhuvanesh, Nattamai S. P.; Dharmaraj, Nallasamy","Solvent assisted formation of ruthenium(iii) and ruthenium(ii) hydrazone complexes in one-pot with potential in vitro cytotoxicity and enhanced LDH, NO and ROS release.","Dalton transactions (Cambridge, England : 2003)","2016","45","4","1693","1707","10.1039/c5dt03849a","","","1.54178","CuKα","","0.0456","0.0331","","","0.0758","0.0794","","","","","","1.042","","","","has coordinates,has disorder","176010","2020-10-21","18:00:00",""
"7037643","11.8342","0.0013","12.5577","0.0014","17.382","0.002","76.856","0.008","86.871","0.008","86.714","0.008","2509","0.5","110","2","110","2","","","","","","","","7","P -1","-P 1","2","","","","- C54 H43 Cl2 N2 O2 P2 Ru -","- C54 H43 Cl2 N2 O2 P2 Ru -","- C108 H86 Cl4 N4 O4 P4 Ru2 -","2","1","","Jayanthi, Eswaran; Kalaiselvi, Sivalingam; Padma, Viswanatha Vijaya; Bhuvanesh, Nattamai S. P.; Dharmaraj, Nallasamy","Solvent assisted formation of ruthenium(iii) and ruthenium(ii) hydrazone complexes in one-pot with potential in vitro cytotoxicity and enhanced LDH, NO and ROS release.","Dalton transactions (Cambridge, England : 2003)","2016","45","4","1693","1707","10.1039/c5dt03849a","","","1.54178","CuKα","","0.0311","0.0266","","","0.0666","0.0676","","","","","","1.047","","","","has coordinates","176010","2020-10-21","18:00:00",""
"7037644","11.8881","0.0008","12.3931","0.0009","19.7035","0.0014","83.282","0.002","79.771","0.002","73.68","0.002","2734.8","0.3","110","2","110","2","","","","","","","","7","P -1","-P 1","2","","","","- C56 H45 As2 Cl8 N2 O2 Ru -","- C56 H45 As2 Cl8 N2 O2 Ru -","- C112 H90 As4 Cl16 N4 O4 Ru2 -","2","1","","Jayanthi, Eswaran; Kalaiselvi, Sivalingam; Padma, Viswanatha Vijaya; Bhuvanesh, Nattamai S. P.; Dharmaraj, Nallasamy","Solvent assisted formation of ruthenium(iii) and ruthenium(ii) hydrazone complexes in one-pot with potential in vitro cytotoxicity and enhanced LDH, NO and ROS release.","Dalton transactions (Cambridge, England : 2003)","2016","45","4","1693","1707","10.1039/c5dt03849a","","","0.71073","MoKα","","0.0685","0.0548","","","0.1455","0.1536","","","","","","1.08","","","","has coordinates,has disorder","176010","2020-10-21","18:00:00",""
"7037645","18.794","0.0006","12.0352","0.0004","20.9907","0.0007","90","","99.668","0.002","90","","4680.4","0.3","110","2","110","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C56 H46 As2 N2 O4 Ru -","- C56 H46 As2 N2 O4 Ru -","- C224 H184 As8 N8 O16 Ru4 -","4","1","","Jayanthi, Eswaran; Kalaiselvi, Sivalingam; Padma, Viswanatha Vijaya; Bhuvanesh, Nattamai S. P.; Dharmaraj, Nallasamy","Solvent assisted formation of ruthenium(iii) and ruthenium(ii) hydrazone complexes in one-pot with potential in vitro cytotoxicity and enhanced LDH, NO and ROS release.","Dalton transactions (Cambridge, England : 2003)","2016","45","4","1693","1707","10.1039/c5dt03849a","","","1.54178","CuKα","","0.0484","0.0342","","","0.0816","0.0847","","","","","","1.097","","","","has coordinates,has disorder","176010","2020-10-21","18:00:00",""
"7037646","5.0723","0.0008","14.07","0.002","9.352","0.001","90","","100.41","0.01","90","","656.44","0.16","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Rubidium copper aluminophosphate","Rubidium copper aluminium phosphate","","- Al Cu O8 P2 Rb -","- Al Cu O8 P2 Rb -","- Al4 Cu4 O32 P8 Rb4 -","4","1","","Yakubovich, Olga V.; Kiriukhina, Galina V.; Dimitrova, Olga V.; Zvereva, Elena A.; Shvanskaya, Larisa V.; Volkova, Olga S.; Vasiliev, Alexander N.","An open framework crystal structure and physical properties of RbCuAl(PO4)2.","Dalton transactions (Cambridge, England : 2003)","2016","45","6","2598","2604","10.1039/c5dt04543f","","","0.71073","MoKα","","0.0303","0.0264","","","0.0575","0.0593","","","","","","1.137","","","","has coordinates","177802","2020-10-21","18:00:00",""
"7037647","10.4431","0.0006","16.6727","0.0009","14.0282","0.0008","90","","99.453","0.004","90","","2409.3","0.2","296","2","296","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C30 H28 N4 -","- C30 H28 N4 -","- C120 H112 N16 -","4","1","","Cametti, Massimo; Bargigia, Ilaria; Martí-Rujas, Javier","Dynamic single crystal to polycrystal transformation of a 1D-coordination polymer and its second harmonic generation.","Dalton transactions (Cambridge, England : 2003)","2016","45","4","1674","1678","10.1039/c5dt04283f","","","1.54178","CuKα","","0.0778","0.0501","","","0.1436","0.1643","","","","","","1.044","","","","has coordinates","176030","2020-10-21","18:00:00",""
"7037648","19.7541","0.0013","7.1001","0.0005","28.463","0.002","90","","108.329","0.004","90","","3789.6","0.5","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C32 H30 Cl6 I2 N4 Zn -","- C32 H30 Cl6 I2 N4 Zn -","- C128 H120 Cl24 I8 N16 Zn4 -","4","0.5","","Cametti, Massimo; Bargigia, Ilaria; Martí-Rujas, Javier","Dynamic single crystal to polycrystal transformation of a 1D-coordination polymer and its second harmonic generation.","Dalton transactions (Cambridge, England : 2003)","2016","45","4","1674","1678","10.1039/c5dt04283f","","","1.54178","CuKα","","0.0551","0.0509","","","0.125","0.1268","","","","","","1.16","","","","has coordinates","176030","2020-10-21","18:00:00",""
"7037649","6.34581","0.00018","19.8","0.0006","21.5196","0.0006","90","","97.974","0.003","90","","2677.73","0.14","291","2","291.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C24 H18 Cl2 O6 P2 W -","- C24 H18 Cl2 O6 P2 W -","- C96 H72 Cl8 O24 P8 W4 -","4","1","","Hao, Yanwei; Wu, Di; Tian, Rongqiang; Duan, Zheng; Mathey, François","Insertion of phosphinidene complexes into the P-H bond of secondary phosphine oxides: a new version of the phospha-Wittig synthesis of P[double bond, length as m-dash]C double bonds.","Dalton transactions (Cambridge, England : 2003)","2016","45","3","891","893","10.1039/c5dt04245c","","","0.71073","MoKα","","0.0501","0.0364","","","0.0678","0.072","","","","","","1.096","","","","has coordinates","176042","2020-10-21","18:00:00",""
"7037650","15.7566","0.0009","15.9366","0.0008","11.6429","0.0006","90","","93.076","0.005","90","","2919.4","0.3","183","2","183","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C35 H36 N6 -","- C35 H36 N6 -","- C140 H144 N24 -","4","1","","Joliat, E.; Schnidrig, S.; Probst, B.; Bachmann, C.; Spingler, B.; Baldridge, K. K.; von Rohr, F.; Schilling, A.; Alberto, R.","Cobalt complexes of tetradentate, bipyridine-based macrocycles: their structures, properties and photocatalytic proton reduction.","Dalton transactions (Cambridge, England : 2003)","2016","45","4","1737","1745","10.1039/c5dt04426j","","","0.7107","MoKα","","0.0845","0.0551","","","0.1275","0.1463","","","","","","1.025","","","","has coordinates,has disorder","176017","2020-10-21","18:00:00",""
"7037651","8.2048","0.0003","14.7409","0.0005","22.1721","0.0009","85.744","0.003","87.213","0.003","89.981","0.003","2671.06","0.17","183","2","183","2","","","","","","","","3","P -1","-P 1","2","","","","- C32 H30 N6 -","- C32 H30 N6 -","- C128 H120 N24 -","4","2","","Joliat, E.; Schnidrig, S.; Probst, B.; Bachmann, C.; Spingler, B.; Baldridge, K. K.; von Rohr, F.; Schilling, A.; Alberto, R.","Cobalt complexes of tetradentate, bipyridine-based macrocycles: their structures, properties and photocatalytic proton reduction.","Dalton transactions (Cambridge, England : 2003)","2016","45","4","1737","1745","10.1039/c5dt04426j","","","1.54184","CuKα","","0.0866","0.078","","","0.2287","0.2328","","","","","","1.097","","","","has coordinates","176017","2020-10-21","18:00:00",""
"7037652","8.2358","0.0003","9.018","0.0003","15.1604","0.0006","81.066","0.003","86.679","0.003","82.895","0.003","1102.91","0.07","183","2","183","2","","","","","","","","6","P -1","-P 1","2","","","","- C44 H58 Br2 Co N6 O8 -","- C44 H58 Br2 Co N6 O8 -","- C44 H58 Br2 Co N6 O8 -","1","0.5","","Joliat, E.; Schnidrig, S.; Probst, B.; Bachmann, C.; Spingler, B.; Baldridge, K. K.; von Rohr, F.; Schilling, A.; Alberto, R.","Cobalt complexes of tetradentate, bipyridine-based macrocycles: their structures, properties and photocatalytic proton reduction.","Dalton transactions (Cambridge, England : 2003)","2016","45","4","1737","1745","10.1039/c5dt04426j","","","1.54184","CuKα","","0.025","0.0235","","","0.0586","0.0594","","","","","","1.041","","","","has coordinates,has disorder","176017","2020-10-21","18:00:00",""
"7037653","8.2089","0.0009","12.0442","0.0008","16.0938","0.0015","79.73","0.007","85.79","0.008","74.422","0.008","1507.6","0.2","183","2","183","2","","","","","","","","6","P -1","-P 1","2","","","","- C32 H32 Br2 Co N6 O -","- C32 H32 Br2 Co N6 O -","- C64 H64 Br4 Co2 N12 O2 -","2","1","","Joliat, E.; Schnidrig, S.; Probst, B.; Bachmann, C.; Spingler, B.; Baldridge, K. K.; von Rohr, F.; Schilling, A.; Alberto, R.","Cobalt complexes of tetradentate, bipyridine-based macrocycles: their structures, properties and photocatalytic proton reduction.","Dalton transactions (Cambridge, England : 2003)","2016","45","4","1737","1745","10.1039/c5dt04426j","","","1.54184","CuKα","","0.0248","0.0219","","","0.0568","0.0584","","","","","","1.041","","","","has coordinates","176017","2020-10-21","18:00:00",""
"7037654","7.5599","0.0007","14.9746","0.0015","22.551","0.003","90","","93.612","0.009","90","","2547.8","0.5","183","2","183","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C29 H25.25 Br Co N6 O1.13 -","- C29 H25 Br Co N6 O1.125 -","- C116 H100 Br4 Co4 N24 O4.5 -","4","1","","Joliat, E.; Schnidrig, S.; Probst, B.; Bachmann, C.; Spingler, B.; Baldridge, K. K.; von Rohr, F.; Schilling, A.; Alberto, R.","Cobalt complexes of tetradentate, bipyridine-based macrocycles: their structures, properties and photocatalytic proton reduction.","Dalton transactions (Cambridge, England : 2003)","2016","45","4","1737","1745","10.1039/c5dt04426j","","","0.7107","MoKα","","0.098","0.0652","","","0.1379","0.1532","","","","","","1.057","","","","has coordinates","176017","2020-10-21","18:00:00",""
"7037655","14.988","0.0004","14.988","0.0004","19.24","0.0005","90","","90","","90","","4322.1","0.2","150","2","150.15","","","","","","","","","6","P 4/n c c","-P 4a 2ac","130","","","","- C25 H26 Br N3 O9 Zn2 -","- C25 H26 Br N3 O9 Zn2 -","- C100 H104 Br4 N12 O36 Zn8 -","4","","","Cadman, Laura K.; Bristow, Jessica K.; Stubbs, Naomi E.; Tiana, Davide; Mahon, Mary F.; Walsh, Aron; Burrows, Andrew D.","Compositional control of pore geometry in multivariate metal-organic frameworks: an experimental and computational study.","Dalton transactions (Cambridge, England : 2003)","2016","45","10","4316","4326","10.1039/c5dt04045k","","","0.71073","MoKα","","0.1212","0.0917","","","0.262","0.2795","","","","","","1.16","","","","has coordinates,has disorder","177798","2020-10-21","18:00:00",""
"7037656","14.976","0.0004","14.976","0.0004","19.238","0.0006","90","","90","","90","","4314.7","0.2","150","2","150","2","","","","","","","","6","P 4/n c c","-P 4a 2ac","130","","","","- C25 H25.8 Br1.2 N3 O9 Zn2 -","- C25 H25.8 Br1.2 N3 O9 Zn2 -","- C100 H103.2 Br4.8 N12 O36 Zn8 -","4","","","Cadman, Laura K.; Bristow, Jessica K.; Stubbs, Naomi E.; Tiana, Davide; Mahon, Mary F.; Walsh, Aron; Burrows, Andrew D.","Compositional control of pore geometry in multivariate metal-organic frameworks: an experimental and computational study.","Dalton transactions (Cambridge, England : 2003)","2016","45","10","4316","4326","10.1039/c5dt04045k","","","0.71073","MoKα","","0.1109","0.0967","","","0.2472","0.2558","","","","","","1.129","","","","has coordinates,has disorder","177798","2020-10-21","18:00:00",""
"7037657","9.628","0.0002","12.759","0.0002","17.572","0.0003","90","","90","","90","","2158.61","0.07","150","2","150","2","","","","","","","","6","A m m m","-A 2 2","65","","","","- C22 H18.4 Br1.6 N2 O8 Zn2 -","- C22 H12 Br1.6 N2 O8 Zn2 -","- C44 H24 Br3.2 N4 O16 Zn4 -","2","0.125","","Cadman, Laura K.; Bristow, Jessica K.; Stubbs, Naomi E.; Tiana, Davide; Mahon, Mary F.; Walsh, Aron; Burrows, Andrew D.","Compositional control of pore geometry in multivariate metal-organic frameworks: an experimental and computational study.","Dalton transactions (Cambridge, England : 2003)","2016","45","10","4316","4326","10.1039/c5dt04045k","","","0.71073","MoKα","","0.0697","0.0653","","","0.184","0.1897","","","","","","1.146","","","","has coordinates,has disorder","177798","2020-10-21","18:00:00",""
"7037658","9.623","0.0003","12.858","0.0006","17.48","0.0008","90","","90","","90","","2162.84","0.16","150","2","150","2","","","","","","","","6","A m m m","-A 2 2","65","","","","- C22 H18.3 Br1.7 N2 O8 Zn2 -","- C22 H12 Br1.7 N2 O8 Zn2 -","- C44 H24 Br3.4 N4 O16 Zn4 -","2","0.125","","Cadman, Laura K.; Bristow, Jessica K.; Stubbs, Naomi E.; Tiana, Davide; Mahon, Mary F.; Walsh, Aron; Burrows, Andrew D.","Compositional control of pore geometry in multivariate metal-organic frameworks: an experimental and computational study.","Dalton transactions (Cambridge, England : 2003)","2016","45","10","4316","4326","10.1039/c5dt04045k","","","0.71073","MoKα","","0.0786","0.0735","","","0.2074","0.2131","","","","","","1.069","","","","has coordinates,has disorder","177798","2020-10-21","18:00:00",""
"7037659","15.021","0.0004","15.021","0.0004","19.222","0.0008","90","","90","","90","","4337.1","0.2","150","2","150","2","","","","","","","","5","I 4/m c m","-I 4 2c","140","","","","- C29.5 H36.7 N5.3 O12.1 Zn2 -","- C22 H12 N3.2 O8 Zn2 -","- C88 H48 N12.8 O32 Zn8 -","4","0.125","","Cadman, Laura K.; Bristow, Jessica K.; Stubbs, Naomi E.; Tiana, Davide; Mahon, Mary F.; Walsh, Aron; Burrows, Andrew D.","Compositional control of pore geometry in multivariate metal-organic frameworks: an experimental and computational study.","Dalton transactions (Cambridge, England : 2003)","2016","45","10","4316","4326","10.1039/c5dt04045k","","","0.71073","MoKα","","0.0806","0.0529","","","0.1299","0.1483","","","","","","1.071","","","","has coordinates,has disorder","177798","2020-10-21","18:00:00",""
"7037660","14.9813","0.0003","14.9813","0.0003","19.2011","0.0006","90","","90","","90","","4309.48","0.18","150","2","150.15","","","","","","","","","5","P 4/n c c","-P 4a 2ac","130","","","","- C29.8 H38.6 N5 O10.6 Zn2 -","- C22 H12 N2.4 O8 Zn2 -","- C88 H48 N9.6 O32 Zn8 -","4","","","Cadman, Laura K.; Bristow, Jessica K.; Stubbs, Naomi E.; Tiana, Davide; Mahon, Mary F.; Walsh, Aron; Burrows, Andrew D.","Compositional control of pore geometry in multivariate metal-organic frameworks: an experimental and computational study.","Dalton transactions (Cambridge, England : 2003)","2016","45","10","4316","4326","10.1039/c5dt04045k","","x-ray","1.54184","CuKα","","0.081","0.065","","","0.1891","0.2081","","","","","","1.047","","","","has coordinates,has disorder","177798","2020-10-21","18:00:00",""
"7037661","15.3434","0.0004","14.7669","0.0003","19.2363","0.0004","90","","94.7265","0.0019","90","","4343.63","0.17","150","2","150","0.1","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C22 H21.8 N3.8 O8 Zn2 -","- C22 H14 N3.8 O8 Zn2 -","- C88 H56 N15.2 O32 Zn8 -","4","0.5","","Cadman, Laura K.; Bristow, Jessica K.; Stubbs, Naomi E.; Tiana, Davide; Mahon, Mary F.; Walsh, Aron; Burrows, Andrew D.","Compositional control of pore geometry in multivariate metal-organic frameworks: an experimental and computational study.","Dalton transactions (Cambridge, England : 2003)","2016","45","10","4316","4326","10.1039/c5dt04045k","","x-ray","1.54184","CuKα","","0.0595","0.0523","","","0.1624","0.1702","","","","","","1.099","","","","has coordinates,has disorder","177798","2020-10-21","18:00:00",""
"7037662","9.627","0.0003","13.267","0.0004","17.219","0.0005","90","","90","","90","","2199.23","0.11","150","2","150","2","","","","","","","","7","P n c b","-P 2b 2bc","50","","","","- C29.8 H36.2 Br1.4 I0.6 N4.6 O10.6 Zn2 -","- C22 H12 Br1.4 I0.6 N2 O8 Zn2 -","- C44 H24 Br2.8 I1.2 N4 O16 Zn4 -","2","","","Cadman, Laura K.; Bristow, Jessica K.; Stubbs, Naomi E.; Tiana, Davide; Mahon, Mary F.; Walsh, Aron; Burrows, Andrew D.","Compositional control of pore geometry in multivariate metal-organic frameworks: an experimental and computational study.","Dalton transactions (Cambridge, England : 2003)","2016","45","10","4316","4326","10.1039/c5dt04045k","","","0.71073","MoKα","","0.1186","0.095","","","0.2457","0.2667","","","","","","1.111","","","","has coordinates,has disorder","177798","2020-10-21","18:00:00",""
"7037663","9.6342","0.0014","16.488","0.003","14.229","0.003","90","","90","","90","","2260.3","0.7","298","2","298","2","","","","","","","","6","A m m m","-A 2 2","65","","","","- C22 H18.48 Br1.52 N2 O8 Zn2 -","- C22 H12 Br1.52 N2 O8 Zn2 -","- C44 H24 Br3.04 N4 O16 Zn4 -","2","0.125","","Cadman, Laura K.; Bristow, Jessica K.; Stubbs, Naomi E.; Tiana, Davide; Mahon, Mary F.; Walsh, Aron; Burrows, Andrew D.","Compositional control of pore geometry in multivariate metal-organic frameworks: an experimental and computational study.","Dalton transactions (Cambridge, England : 2003)","2016","45","10","4316","4326","10.1039/c5dt04045k","","x-ray","1.54184","CuKα","","0.0981","0.0905","","","0.2471","0.2562","","","","","","1.121","","","","has coordinates,has disorder","177798","2020-10-21","18:00:00",""
"7037664","5.5566","0.0004","12.6547","0.001","18.5385","0.0014","78.2167","0.0018","81.8265","0.0019","77.7451","0.0018","1240.35","0.16","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C24 H26.5 Cl N2 O2 S2 Zn -","- C24 H26.54 Cl N2 O2 S2 Zn -","- C48 H53.08 Cl2 N4 O4 S4 Zn2 -","2","1","","Lago, Ana Belén; Pino-Cuevas, Arantxa; Carballo, Rosa; Vázquez-López, Ezequiel M","A new metal-organic polymeric system capable of stimuli-responsive controlled release of the drug ibuprofen.","Dalton transactions (Cambridge, England : 2003)","2016","45","4","1614","1621","10.1039/c5dt04031k","","","1.54178","CuKα","","0.0394","0.0383","","","0.1026","0.1035","","","","","","1.049","","","","has coordinates,has disorder","176029","2020-10-21","18:00:00",""
"7037665","9.7324","0.0009","5.9746","0.0005","22.871","0.002","90","","93.764","0.003","90","","1327","0.2","100","2","100","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C26 H34 O6 Zn -","- C26 H34 O6 Zn -","- C52 H68 O12 Zn2 -","2","0.5","","Lago, Ana Belén; Pino-Cuevas, Arantxa; Carballo, Rosa; Vázquez-López, Ezequiel M","A new metal-organic polymeric system capable of stimuli-responsive controlled release of the drug ibuprofen.","Dalton transactions (Cambridge, England : 2003)","2016","45","4","1614","1621","10.1039/c5dt04031k","","","1.54178","CuKα","","0.0794","0.0791","","","0.2021","0.204","","","","","","1.067","","","","has coordinates","176029","2020-10-21","18:00:00",""
"7037666","5.9374","0.0008","10.3678","0.0013","12.6958","0.0015","72.367","0.004","77.524","0.005","89.593","0.005","725.79","0.16","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C11 H10 Cl2 N2 S2 Zn -","- C11 H10 Cl2 N2 S2 Zn -","- C22 H20 Cl4 N4 S4 Zn2 -","2","1","","Lago, Ana Belén; Pino-Cuevas, Arantxa; Carballo, Rosa; Vázquez-López, Ezequiel M","A new metal-organic polymeric system capable of stimuli-responsive controlled release of the drug ibuprofen.","Dalton transactions (Cambridge, England : 2003)","2016","45","4","1614","1621","10.1039/c5dt04031k","","","1.54178","CuKα","","0.0722","0.0644","","","0.1548","0.1646","","","","","","1.151","","","","has coordinates","176029","2020-10-21","18:00:00",""
"7037667","8.1234","0.0004","10.1959","0.0005","15.7514","0.0008","90","","102.363","0.0014","90","","1274.36","0.11","296","2","296","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C22 H20 Cl2 N4 S4 Zn -","- C22 H20 Cl2 N4 S4 Zn -","- C44 H40 Cl4 N8 S8 Zn2 -","2","1","","Lago, Ana Belén; Pino-Cuevas, Arantxa; Carballo, Rosa; Vázquez-López, Ezequiel M","A new metal-organic polymeric system capable of stimuli-responsive controlled release of the drug ibuprofen.","Dalton transactions (Cambridge, England : 2003)","2016","45","4","1614","1621","10.1039/c5dt04031k","","","1.54178","CuKα","","0.0445","0.0439","","","0.1185","0.1192","","","","","","1.08","","","","has coordinates","176029","2020-10-21","18:00:00",""
"7037668","7.6143","0.0001","7.7886","0.0001","29.5202","0.0004","92.63","","93.769","0.001","90.327","0.001","1744.99","0.04","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C11 H12 Cl4 N2 O0.5 S2 Zn -","- C11 H12 Cl4 N2 O0.5 S2 Zn -","- C44 H48 Cl16 N8 O2 S8 Zn4 -","4","2","","Lago, Ana Belén; Pino-Cuevas, Arantxa; Carballo, Rosa; Vázquez-López, Ezequiel M","A new metal-organic polymeric system capable of stimuli-responsive controlled release of the drug ibuprofen.","Dalton transactions (Cambridge, England : 2003)","2016","45","4","1614","1621","10.1039/c5dt04031k","","","1.54178","CuKα","","0.0338","0.0329","","","0.0881","0.0892","","","","","","1.04","","","","has coordinates","193656","2020-10-21","18:00:00",""
"7037669","12.8536","0.0006","14.3535","0.0008","20.0526","0.0011","95.45","0.002","105.838","0.002","93.734","0.002","3527","0.3","293","2","293","2","","","","","","","","8","P -1","-P 1","2","Co Cubane (OH, 4F)","","","- C125 H104 Cl2 Co8 F20 N8 O29 S4 -","- C125 H104 Cl2 Co8 F20 N8 O29 S4 -","- C125 H104 Cl2 Co8 F20 N8 O29 S4 -","1","0.5","","Lee, Sun Young; Kim, Namseok; Lee, Myoung Mi; Jo, Young Dan; Bae, Jeong Mi; Hyun, Min Young; Yoon, Sungho; Kim, Cheal","A discrete {Co4(μ3-OH)4}(4+) cluster with an oxygen-rich coordination environment as a catalyst for the epoxidation of various olefins.","Dalton transactions (Cambridge, England : 2003)","2016","45","4","1727","1736","10.1039/c5dt03422a","","","0.71073","MoKα","","0.0722","0.0519","","","0.1607","0.1804","","","","","","1.063","","","","has coordinates","176031","2020-10-21","18:00:00",""
"7037670","23.41","0.003","12.9698","0.0016","22.779","0.003","90","","109.576","0.002","90","","6516.5","1.4","296","2","296","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C36 H34 Cu3 Ge N7 O45.5 W12 -","- C36 H30 Cu3 Ge N7 O45.5 W12 -","- C144 H120 Cu12 Ge4 N28 O182 W48 -","4","1","","Hu, Yang-Yang; Zhang, Ting-Ting; Zhang, Xiao; Zhao, De-Chuan; Cui, Xiao-Bing; Huo, Qi-Sheng; Xu, Ji-Qing","New organic-inorganic hybrid compounds constructed from polyoxometalates and transition metal mixed-organic-ligand complexes.","Dalton transactions (Cambridge, England : 2003)","2016","45","6","2562","2573","10.1039/c5dt04413h","","","0.71073","MoKα","","0.1084","0.0526","","","0.0848","0.0992","","","","","","1.008","","","","has coordinates","177818","2020-10-21","18:00:00",""
"7037671","20.681","0.004","13.187","0.003","32.788","0.007","90","","90","","90","","8942","3","293","2","293","2","","","","","","","","8","P b c a","-P 2ac 2ab","61","","","","- C60 H46 Cl4 Cu4 Ge N10 O46 W12 -","- C60 H40 Cl4 Cu4 Ge N10 O46 W12 -","- C240 H160 Cl16 Cu16 Ge4 N40 O184 W48 -","4","0.5","","Hu, Yang-Yang; Zhang, Ting-Ting; Zhang, Xiao; Zhao, De-Chuan; Cui, Xiao-Bing; Huo, Qi-Sheng; Xu, Ji-Qing","New organic-inorganic hybrid compounds constructed from polyoxometalates and transition metal mixed-organic-ligand complexes.","Dalton transactions (Cambridge, England : 2003)","2016","45","6","2562","2573","10.1039/c5dt04413h","","","0.71073","MoKα","","0.0747","0.0626","","","0.125","0.13","","","","","","1.072","","","","has coordinates","177818","2020-10-21","18:00:00",""
"7037672","11.475","0.002","12.627","0.003","15.45","0.003","88.57","0.03","68.68","0.03","87.78","0.03","2083.7","0.9","293","2","293","2","","","","","","","","8","P -1","-P 1","2","","","","- C60 H42 Cl4 Cu4 Ge N10 O44 W12 -","- C60 H40 Cl4 Cu4 Ge N10 O44 W12 -","- C60 H40 Cl4 Cu4 Ge N10 O44 W12 -","1","0.5","","Hu, Yang-Yang; Zhang, Ting-Ting; Zhang, Xiao; Zhao, De-Chuan; Cui, Xiao-Bing; Huo, Qi-Sheng; Xu, Ji-Qing","New organic-inorganic hybrid compounds constructed from polyoxometalates and transition metal mixed-organic-ligand complexes.","Dalton transactions (Cambridge, England : 2003)","2016","45","6","2562","2573","10.1039/c5dt04413h","","","0.71073","MoKα","","0.0859","0.0753","","","0.1713","0.1776","","","","","","1.06","","","","has coordinates","177818","2020-10-21","18:00:00",""
"7037673","15.1378","0.0009","13.5053","0.0008","23.9776","0.0011","90","","128.069","0.003","90","","3859.2","0.4","296","2","296","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C52 H40 Cl2 Cu4 Ge N10 O46 W12 -","- C52 H36 Cl2 Cu4 Ge N10 O46 W12 -","- C104 H72 Cl4 Cu8 Ge2 N20 O92 W24 -","2","0.5","","Hu, Yang-Yang; Zhang, Ting-Ting; Zhang, Xiao; Zhao, De-Chuan; Cui, Xiao-Bing; Huo, Qi-Sheng; Xu, Ji-Qing","New organic-inorganic hybrid compounds constructed from polyoxometalates and transition metal mixed-organic-ligand complexes.","Dalton transactions (Cambridge, England : 2003)","2016","45","6","2562","2573","10.1039/c5dt04413h","","","0.71073","MoKα","","0.1101","0.104","","","0.2274","0.2306","","","","","","1.056","","","","has coordinates","177818","2020-10-21","18:00:00",""
"7037674","16.729","0.003","18.897","0.004","17.003","0.003","90","","103.82","0.03","90","","5219.5","1.8","293","2","293","2","","","","","","","","7","P 1 21/m 1","-P 2yb","11","","","","- C54 H49 As2 Cu3 N9 O73 W18 -","- C54 H42 As2 Cu3 N9 O73 W18 -","- C108 H84 As4 Cu6 N18 O146 W36 -","2","0.5","","Hu, Yang-Yang; Zhang, Ting-Ting; Zhang, Xiao; Zhao, De-Chuan; Cui, Xiao-Bing; Huo, Qi-Sheng; Xu, Ji-Qing","New organic-inorganic hybrid compounds constructed from polyoxometalates and transition metal mixed-organic-ligand complexes.","Dalton transactions (Cambridge, England : 2003)","2016","45","6","2562","2573","10.1039/c5dt04413h","","","0.71073","MoKα","","0.0727","0.0463","","","0.1053","0.1143","","","","","","1.017","","","","has coordinates,has disorder","177818","2020-10-21","18:00:00",""
"7037675","18.8813","0.0005","19.5703","0.0006","10.288","0.0003","90","","90","","90","","3801.55","0.19","294","","294","","","","","","","","","6","P 21 21 2","P 2 2ab","18","","","","- C32 H39 Cd2 I N3 O14 -","- C32 H22 Cd2 I N3 O14 -","- C128 H88 Cd8 I4 N12 O56 -","4","1","","Yang, Xiao-Dong; Chen, Cheng; Zhang, Ya-Jun; Cai, Li-Xuan; Tan, Bin; Zhang, Jie","Halogen-bridged metal-organic frameworks constructed from bipyridinium-based ligand: structures, photochromism and non-destructive readout luminescence switching.","Dalton transactions (Cambridge, England : 2003)","2016","45","11","4522","4527","10.1039/c5dt04539h","","","1.54178","CuKα","","0.063","0.0581","","","0.1613","0.1667","","","","","","1.054","","","","has coordinates","181686","2020-10-21","18:00:00",""
"7037676","18.8289","0.0004","19.1993","0.0003","10.2457","0.0002","90","","90","","90","","3703.84","0.12","150","","150","","","","","","","","","6","P 21 21 2","P 2 2ab","18","","","","- C32 H39 Br Cd2 N3 O14 -","- C32 H22 Br Cd2 N3 O14 -","- C128 H88 Br4 Cd8 N12 O56 -","4","1","","Yang, Xiao-Dong; Chen, Cheng; Zhang, Ya-Jun; Cai, Li-Xuan; Tan, Bin; Zhang, Jie","Halogen-bridged metal-organic frameworks constructed from bipyridinium-based ligand: structures, photochromism and non-destructive readout luminescence switching.","Dalton transactions (Cambridge, England : 2003)","2016","45","11","4522","4527","10.1039/c5dt04539h","","","1.54178","CuKα","","0.0435","0.0415","","","0.1132","0.1153","","","","","","1.083","","","","has coordinates","181686","2020-10-21","18:00:00",""
"7037677","11.84","0.003","12.679","0.003","37.68","0.008","90","","95.358","0.004","90","","5632","2","298","2","298.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C68 H44 Co2 N4 O6 -","- C68 H44 Co2 N4 O6 -","- C272 H176 Co8 N16 O24 -","4","1","","Singh, Vinay K.; Kadu, Rahul; Roy, Hetal; Raghavaiah, Pallepogu; Mobin, Shaikh M.","Phenolate based metallomacrocyclic xanthate complexes of Co(II)/Cu(II) and their exclusive deployment in [2 : 2] binuclear N,O-Schiff base macrocycle formation and in vitro anticancer studies.","Dalton transactions (Cambridge, England : 2003)","2016","45","4","1443","1454","10.1039/c5dt03407h","","","0.71073","MoKα","","0.1301","0.0581","","","0.1333","0.1555","","","","","","0.861","","","","has coordinates","176034","2020-10-21","18:00:00",""
"7037678","26.3438","0.0006","12.3067","0.0003","28.9628","0.0007","90","","90","","90","","9389.9","0.4","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C52 H36 Co2 N4 O6 -","- C52 H36 Co2 N4 O6 -","- C416 H288 Co16 N32 O48 -","8","1","","Singh, Vinay K.; Kadu, Rahul; Roy, Hetal; Raghavaiah, Pallepogu; Mobin, Shaikh M.","Phenolate based metallomacrocyclic xanthate complexes of Co(II)/Cu(II) and their exclusive deployment in [2 : 2] binuclear N,O-Schiff base macrocycle formation and in vitro anticancer studies.","Dalton transactions (Cambridge, England : 2003)","2016","45","4","1443","1454","10.1039/c5dt03407h","","","1.54184","CuKα","","0.0959","0.0593","","","0.1861","0.2087","","","","","","1.113","","","","has coordinates","176034","2020-10-21","18:00:00",""
"7037679","26.2828","0.0004","12.25878","0.00017","28.8218","0.0004","90","","90","","90","","9286.2","0.2","295","2","295","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C54 H42 Cu2 N4 O7 S -","- C54 H41.496 Cu2 N4 O7 S -","- C432 H331.968 Cu16 N32 O56 S8 -","8","1","","Singh, Vinay K.; Kadu, Rahul; Roy, Hetal; Raghavaiah, Pallepogu; Mobin, Shaikh M.","Phenolate based metallomacrocyclic xanthate complexes of Co(II)/Cu(II) and their exclusive deployment in [2 : 2] binuclear N,O-Schiff base macrocycle formation and in vitro anticancer studies.","Dalton transactions (Cambridge, England : 2003)","2016","45","4","1443","1454","10.1039/c5dt03407h","","","0.71073","MoKα","","0.0547","0.0391","","","0.1117","0.12","","","","","","1.002","","","","has coordinates,has disorder","176034","2020-10-21","18:00:00",""
"7037680","16.5132","0.0003","14.6766","0.0002","19.217","0.0003","90","","96.189","0.001","90","","4630.24","0.13","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C54 H40 Cl4 Cu2 N4 O6 -","- C54 H40 Cl4 Cu2 N4 O6 -","- C216 H160 Cl16 Cu8 N16 O24 -","4","0.5","","Singh, Vinay K.; Kadu, Rahul; Roy, Hetal; Raghavaiah, Pallepogu; Mobin, Shaikh M.","Phenolate based metallomacrocyclic xanthate complexes of Co(II)/Cu(II) and their exclusive deployment in [2 : 2] binuclear N,O-Schiff base macrocycle formation and in vitro anticancer studies.","Dalton transactions (Cambridge, England : 2003)","2016","45","4","1443","1454","10.1039/c5dt03407h","","","0.71073","MoKα","","0.0285","0.0247","","","0.0693","0.0702","","","","","","1.07","","","","has coordinates","176034","2020-10-21","18:00:00",""
"7037681","19.0398","0.0009","21.6349","0.0007","31.0856","0.0015","90","","100.47","0.005","90","","12591.7","1","298","2","298.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C137 H88 Cl3 Cu4 N8 O20 -","- C137 H88 Cl3 Cu4 N8 O20 -","- C548 H352 Cl12 Cu16 N32 O80 -","4","1","","Singh, Vinay K.; Kadu, Rahul; Roy, Hetal; Raghavaiah, Pallepogu; Mobin, Shaikh M.","Phenolate based metallomacrocyclic xanthate complexes of Co(II)/Cu(II) and their exclusive deployment in [2 : 2] binuclear N,O-Schiff base macrocycle formation and in vitro anticancer studies.","Dalton transactions (Cambridge, England : 2003)","2016","45","4","1443","1454","10.1039/c5dt03407h","","","0.71073","MoKα","","0.4173","0.1272","","","0.3435","0.3977","","","","","","0.74","","","","has coordinates","176034","2020-10-21","18:00:00",""
"7037682","26.52","0.008","13.627","0.004","13.432","0.004","90","","90","","90","","4854","3","100","2","100.15","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C23 H20 Cl2 N6 O4 Os -","- C23 H20 Cl2 N6 O4 Os -","- C184 H160 Cl16 N48 O32 Os8 -","8","1","","Das, Ankita; Mondal, Prasenjit; Dasgupta, Moumita; Kishore, Nand; Lahiri, Goutam Kumar","Substituent directed selectivity in anion recognition by a new class of simple osmium-pyrazole derived receptors.","Dalton transactions (Cambridge, England : 2003)","2016","45","6","2605","2617","10.1039/c5dt04538j","","","0.71075","MoKα","","0.0656","0.0582","","","0.0904","0.0931","","","","","","1.246","","","","has coordinates","177800","2020-10-21","18:00:00",""
"7037683","15.017","0.008","11.932","0.005","15.605","0.008","90","","113.401","0.006","90","","2566","2","100","2","100","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C25 H24 Cl2 N6 O4 Os -","- C25 H24 Cl2 N6 O4 Os -","- C100 H96 Cl8 N24 O16 Os4 -","4","1","","Das, Ankita; Mondal, Prasenjit; Dasgupta, Moumita; Kishore, Nand; Lahiri, Goutam Kumar","Substituent directed selectivity in anion recognition by a new class of simple osmium-pyrazole derived receptors.","Dalton transactions (Cambridge, England : 2003)","2016","45","6","2605","2617","10.1039/c5dt04538j","","","0.71075","MoKα","","0.064","0.0499","","","0.0985","0.1048","","","","","","1.133","","","","has coordinates","177800","2020-10-21","18:00:00",""
"7037684","10.1926","0.0008","10.7193","0.0009","16.7763","0.0017","71.491","0.003","86.247","0.005","69.622","0.003","1627.2","0.3","123.15","","123.15","","","","","","","","","6","P -1","-P 1","2","","","","- C30 H50 Cl Mo N3 Si -","- C30 H50 Cl Mo N3 Si -","- C60 H100 Cl2 Mo2 N6 Si2 -","2","1","","McLeod, Nicolas A.; Kuzmina, Lyudmila G.; Korobkov, Ilia; Howard, Judith A. K.; Nikonov, Georgii I.","Hydridosilylamido complexes of Ta and Mo isolobal with Berry's zirconocenes: syntheses, β-Si-H agostic interactions, catalytic hydrosilylation, and insight into mechanism.","Dalton transactions (Cambridge, England : 2003)","2016","45","6","2554","2561","10.1039/c5dt04548g","","","0.71073","MoKα","","0.0999","0.0613","","","0.1366","0.1477","","","","","","0.928","","","","has coordinates","177801","2020-10-21","18:00:00",""
"7037685","10.8122","0.0014","10.8705","0.0014","16.219","0.002","108.896","0.002","90.882","0.003","110.844","0.002","1667","0.4","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","","","- C31 H53 Mo N3 Si -","- C31 H53 Mo N3 Si -","- C62 H106 Mo2 N6 Si2 -","2","1","","McLeod, Nicolas A.; Kuzmina, Lyudmila G.; Korobkov, Ilia; Howard, Judith A. K.; Nikonov, Georgii I.","Hydridosilylamido complexes of Ta and Mo isolobal with Berry's zirconocenes: syntheses, β-Si-H agostic interactions, catalytic hydrosilylation, and insight into mechanism.","Dalton transactions (Cambridge, England : 2003)","2016","45","6","2554","2561","10.1039/c5dt04548g","","","0.71073","MoKα","","0.0757","0.0487","","","0.0961","0.1065","","","","","","1.012","","","","has coordinates","177801","2020-10-21","18:00:00",""
"7037686","5.1023","0.001","19.717","0.004","12.557","0.003","90","","90","","90","","1263.3","0.5","293","2","293","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- Cs Li5 Mn O14 P4 -","- Cs Li5 Mn O14 P4 -","- Cs4 Li20 Mn4 O56 P16 -","4","0.5","","Gao, Jianhua; Sha, Xunshan; Song, Limei; Zhao, Pan; Liu, Xi","The synthesis, structure and properties of a new lithium-rich manganese(ii) phosphate Li5CsMn(P2O7)2: a congruently melting compound with a 'lithium hamburger' structure.","Dalton transactions (Cambridge, England : 2003)","2016","45","6","2584","2590","10.1039/c5dt04427h","","","0.71073","MoKα","","0.0412","0.0402","","","0.1059","0.1065","","","","","","1.118","","","","has coordinates","177805","2020-10-21","18:00:00",""
"7037687","8.1176","0.0001","9.2906","0.0001","12.0776","0.0001","90","","91.3953","0.001","90","","910.591","0.017","297","2","297","2","","","","","","","","6","P 1 n 1","P -2yac","7","","","","- C10 H22 Fe N2 Na O12 -","- C10 H22 Fe N2 Na O12 -","- C20 H44 Fe2 N4 Na2 O24 -","2","1","","Ptak, Maciej; Mączka, Mirosław; Gągor, Anna; Sieradzki, Adam; Stroppa, Alessandro; Di Sante, Domenico; Perez-Mato, Juan Manuel; Macalik, Lucyna","Experimental and theoretical studies of structural phase transition in a novel polar perovskite-like [C2H5NH3][Na0.5Fe0.5(HCOO)3] formate.","Dalton transactions (Cambridge, England : 2003)","2016","45","6","2574","2583","10.1039/c5dt04536c","","","0.71073","MoKα","","0.0486","0.0363","","","0.0671","0.0719","","","","","","1.028","","","","has coordinates","177809","2020-10-21","18:00:00",""
"7037688","8.1102","0.0002","9.3794","0.0004","12.1341","0.0004","90","","91.125","0.003","90","","922.85","0.05","377","2","377","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C10 H22 Fe N2 Na O12 -","- C10 H22 Fe N2 Na O12 -","- C20 H44 Fe2 N4 Na2 O24 -","2","0.5","","Ptak, Maciej; Mączka, Mirosław; Gągor, Anna; Sieradzki, Adam; Stroppa, Alessandro; Di Sante, Domenico; Perez-Mato, Juan Manuel; Macalik, Lucyna","Experimental and theoretical studies of structural phase transition in a novel polar perovskite-like [C2H5NH3][Na0.5Fe0.5(HCOO)3] formate.","Dalton transactions (Cambridge, England : 2003)","2016","45","6","2574","2583","10.1039/c5dt04536c","","","0.71073","MoKα","","0.0502","0.0425","","","0.0962","0.0994","","","","","","1.204","","","","has coordinates,has disorder","177809","2020-10-21","18:00:00",""
"7037689","29.881","0.005","29.881","0.005","29.881","0.005","90","0.005","90","0.005","90","0.005","26680","8","293","2","293","2","","","","","","","","5","P a -3","-P 2ac 2ab 3","205","","","","- C96 H156 Er4 N18 O49 -","- C57 H44.9998 Er4 N3 O20 -","- C456 H359.998 Er32 N24 O160 -","8","0.333333","","Cui, Pei-Pei; Zhang, Xiu-Du; Zhao, Yue; Fu, Ai-Yun; Sun, Wei-Yin","Synthesis, structure and adsorption properties of lanthanide-organic frameworks with pyridine-3,5-bis(phenyl-4-carboxylate).","Dalton transactions (Cambridge, England : 2003)","2016","45","6","2591","2597","10.1039/c5dt03091a","","","0.71069","MoKα","","0.04","0.033","","","0.093","0.0951","","","","","","1.084","","","","has coordinates","177810","2020-10-21","18:00:00",""
"7037690","29.311","0.005","29.311","0.005","29.311","0.005","90","0.005","90","0.005","90","0.005","25182","7","293","2","293","2","","","","","","","","5","P a -3","-P 2ac 2ab 3","205","","","","- C93 H149 N17 O48 Yb4 -","- C57 H44.9998 N3 O20 Yb4 -","- C456 H359.998 N24 O160 Yb32 -","8","0.333333","","Cui, Pei-Pei; Zhang, Xiu-Du; Zhao, Yue; Fu, Ai-Yun; Sun, Wei-Yin","Synthesis, structure and adsorption properties of lanthanide-organic frameworks with pyridine-3,5-bis(phenyl-4-carboxylate).","Dalton transactions (Cambridge, England : 2003)","2016","45","6","2591","2597","10.1039/c5dt03091a","","","0.71069","MoKα","","0.1248","0.0862","","","0.1918","0.212","","","","","","1.073","","","","has coordinates","177810","2020-10-21","18:00:00",""
"7037691","29.394","0.005","29.394","0.005","29.394","0.005","90","0.005","90","0.005","90","0.005","25397","7","293","2","293","2","","","","","","","","5","P a -3","-P 2ac 2ab 3","205","","","","- C93 H157 Lu4 N17 O52 -","- C57 H44.9998 Lu4 N3 O20 -","- C456 H359.998 Lu32 N24 O160 -","8","0.333333","","Cui, Pei-Pei; Zhang, Xiu-Du; Zhao, Yue; Fu, Ai-Yun; Sun, Wei-Yin","Synthesis, structure and adsorption properties of lanthanide-organic frameworks with pyridine-3,5-bis(phenyl-4-carboxylate).","Dalton transactions (Cambridge, England : 2003)","2016","45","6","2591","2597","10.1039/c5dt03091a","","","0.71069","MoKα","","0.0397","0.0333","","","0.0979","0.0998","","","","","","1.101","","","","has coordinates","177810","2020-10-21","18:00:00",""
"7037692","10.4312","0.0004","11.1981","0.0008","13.2196","0.001","73.325","0.006","78.58","0.006","66.409","0.006","1349.52","0.17","291","2","291.15","","","","","","","","","5","P -1","-P 1","2","","","","- C48 H44 Ag5 Br9 N4 -","- C48 H44 Ag5 Br9 N4 -","- C48 H44 Ag5 Br9 N4 -","1","0.5","","Du, Haijuan; Zhang, Wenli; Wang, Chaohai; Niu, Yunyin; Hou, Hongwei","A new nanocrystalline inorganic-organic hybrid exhibiting semiconducting properties and applications.","Dalton transactions (Cambridge, England : 2003)","2016","45","6","2624","2628","10.1039/c5dt04508h","","","0.71073","MoKα","","0.0734","0.0431","","","0.0846","0.0976","","","","","","1.032","","","","has coordinates","177813","2020-10-21","18:00:00",""
"7037693","13.0387","0.0009","11.8818","0.0009","15.926","0.0015","90","","101.292","0.006","90","","2419.5","0.3","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C18 H30 Fe N3 S6 -","- C18 H30 Fe N3 S6 -","- C72 H120 Fe4 N12 S24 -","4","0.5","","Mlowe, Sixberth; Lewis, David J.; Malik, Mohammad Azad; Raftery, James; Mubofu, Egid B.; O'Brien, Paul; Revaprasadu, Neerish","Heterocyclic dithiocarbamato-iron(iii) complexes: single-source precursors for aerosol-assisted chemical vapour deposition (AACVD) of iron sulfide thin films.","Dalton transactions (Cambridge, England : 2003)","2016","45","6","2647","2655","10.1039/c5dt03881b","","","1.54178","CuKα","","0.0772","0.0541","","","0.1176","0.1336","","","","","","1.068","","","","has coordinates,has disorder","177815","2020-10-21","18:00:00",""
"7037694","21.9551","0.0008","18.8423","0.0006","14.7741","0.0004","90","","90","","90","","6111.8","0.3","100","2","100","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C30 H30 Fe N3 S6 -","- C30 H30 Fe N3 S6 -","- C240 H240 Fe8 N24 S48 -","8","2","","Mlowe, Sixberth; Lewis, David J.; Malik, Mohammad Azad; Raftery, James; Mubofu, Egid B.; O'Brien, Paul; Revaprasadu, Neerish","Heterocyclic dithiocarbamato-iron(iii) complexes: single-source precursors for aerosol-assisted chemical vapour deposition (AACVD) of iron sulfide thin films.","Dalton transactions (Cambridge, England : 2003)","2016","45","6","2647","2655","10.1039/c5dt03881b","","","1.54178","CuKα","","0.1083","0.067","","","0.1576","0.1784","","","","","","1.027","","","","has coordinates","182989","2020-10-21","18:00:00",""
"7037695","12.285","0.005","11.956","0.005","18.281","0.008","90","","91.473","0.006","90","","2684","2","296","2","296","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C29 H27 Au N O2 P S -","- C29 H27 Au N O2 P S -","- C116 H108 Au4 N4 O8 P4 S4 -","4","1","","De Nisi, Assunta; Bergamini, Christian; Leonzio, Marco; Sartor, Giorgio; Fato, Romana; Naldi, Marina; Monari, Magda; Calonghi, Natalia; Bandini, Marco","Synthesis, cytotoxicity and anti-cancer activity of new alkynyl-gold(i) complexes.","Dalton transactions (Cambridge, England : 2003)","2016","45","4","1546","1553","10.1039/c5dt02905h","","","0.71073","MoKα","","0.0894","0.0395","","","0.0533","0.0645","","","","","","0.985","","","","has coordinates","176008","2020-10-21","18:00:00",""
"7037696","8.943","0.005","12.762","0.007","13.472","0.007","90.434","0.005","103.985","0.005","90.154","0.005","1491.9","1.4","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C34 H29 Au N O2 P S -","- C34 H29 Au N O2 P S -","- C68 H58 Au2 N2 O4 P2 S2 -","2","1","","De Nisi, Assunta; Bergamini, Christian; Leonzio, Marco; Sartor, Giorgio; Fato, Romana; Naldi, Marina; Monari, Magda; Calonghi, Natalia; Bandini, Marco","Synthesis, cytotoxicity and anti-cancer activity of new alkynyl-gold(i) complexes.","Dalton transactions (Cambridge, England : 2003)","2016","45","4","1546","1553","10.1039/c5dt02905h","","","0.71073","MoKα","","0.0685","0.0376","","","0.0653","0.077","","","","","","0.973","","","","has coordinates","176008","2020-10-21","18:00:00",""
"7037697","25.408","0.009","8.297","0.003","8.766","0.003","90","","90","","90","","1848","1.1","100","2","100","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C19 H18 B Cl2 F2 N3 -","- C19 H18 B Cl2 F2 N3 -","- C76 H72 B4 Cl8 F8 N12 -","4","1","","Vedamalai, Mani; Kedaria, Dhaval; Vasita, Rajesh; Mori, Shigeki; Gupta, Iti","Design and synthesis of BODIPY-clickate based Hg(2+) sensors: the effect of triazole binding mode with Hg(2+) on signal transduction.","Dalton transactions (Cambridge, England : 2003)","2016","45","6","2700","2708","10.1039/c5dt04042f","","","0.71075","MoKα","","0.0297","0.0287","","","0.0653","0.066","","","","","","1.049","","","","has coordinates","177807","2020-10-21","18:00:00",""
"7037698","12.295","0.006","20.765","0.01","7.858","0.004","90","","100.122","0.009","90","","1975","1.7","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H18 B F2 N9 -","- C19 H18 B F2 N9 -","- C76 H72 B4 F8 N36 -","4","1","","Vedamalai, Mani; Kedaria, Dhaval; Vasita, Rajesh; Mori, Shigeki; Gupta, Iti","Design and synthesis of BODIPY-clickate based Hg(2+) sensors: the effect of triazole binding mode with Hg(2+) on signal transduction.","Dalton transactions (Cambridge, England : 2003)","2016","45","6","2700","2708","10.1039/c5dt04042f","","","0.71075","MoKα","","0.0703","0.059","","","0.1388","0.1469","","","","","","1.146","","","","has coordinates","177807","2020-10-21","18:00:00",""
"7037699","9.854","0.003","13.767","0.004","13.925","0.004","115.76","0.006","95.354","0.006","97.464","0.007","1663","0.9","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C32 H76 Mo6 N8 O48 Te Zn3 -","- C32 H72 Mo6 N8 O48 Te Zn3 -","- C32 H72 Mo6 N8 O48 Te Zn3 -","1","0.5","","Wang, Xiuli; Sun, Junjun; Lin, Hongyan; Chang, Zhihan; Tian, Aixiang; Liu, Guocheng; Wang, Xiang","Novel Anderson-type [TeMo6O24](6-)-based metal-organic complexes tuned by different species and their coordination modes: assembly, various architectures and properties.","Dalton transactions (Cambridge, England : 2003)","2016","45","6","2709","2719","10.1039/c5dt04074d","","","0.71069","MoKα","","0.0846","0.0428","","","0.0822","0.0954","","","","","","1.004","","","","has coordinates","177811","2020-10-21","18:00:00",""
"7037700","16.673","0.0012","10.591","0.0008","18.712","0.0012","90","","122.106","0.001","90","","2798.9","0.3","296","2","296","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C30 H54 Cu2 Mo6 N8 O38 Te -","- C30 H54 Cu2 Mo6 N8 O38 Te -","- C60 H108 Cu4 Mo12 N16 O76 Te2 -","2","0.5","","Wang, Xiuli; Sun, Junjun; Lin, Hongyan; Chang, Zhihan; Tian, Aixiang; Liu, Guocheng; Wang, Xiang","Novel Anderson-type [TeMo6O24](6-)-based metal-organic complexes tuned by different species and their coordination modes: assembly, various architectures and properties.","Dalton transactions (Cambridge, England : 2003)","2016","45","6","2709","2719","10.1039/c5dt04074d","","","0.71069","MoKα","","0.0309","0.0273","","","0.0652","0.0674","","","","","","0.998","","","","has coordinates","177811","2020-10-21","18:00:00",""
"7037701","10.124","0.0013","13.375","0.0016","17.522","0.002","84.204","0.003","81.73","0.003","76.211","0.002","2274.8","0.5","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C30 H80 Mo12 N8 O74 Te2 Zn4 -","- C30 H74 Mo12 N8 O74 Te2 Zn4 -","- C30 H74 Mo12 N8 O74 Te2 Zn4 -","1","0.5","","Wang, Xiuli; Sun, Junjun; Lin, Hongyan; Chang, Zhihan; Tian, Aixiang; Liu, Guocheng; Wang, Xiang","Novel Anderson-type [TeMo6O24](6-)-based metal-organic complexes tuned by different species and their coordination modes: assembly, various architectures and properties.","Dalton transactions (Cambridge, England : 2003)","2016","45","6","2709","2719","10.1039/c5dt04074d","","","0.71069","MoKα","","0.1289","0.052","","","0.1065","0.1197","","","","","","1.047","","","","has coordinates","177811","2020-10-21","18:00:00",""
"7037702","8.38","0.0005","12.909","0.0007","14.837","0.0008","101.942","0.001","102.695","0.001","97.627","0.001","1504.97","0.15","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C30 H56 Cu3 Mo6 N8 O40 Te -","- C30 H56 Cu3 Mo6 N8 O40 Te -","- C30 H56 Cu3 Mo6 N8 O40 Te -","1","0.5","","Wang, Xiuli; Sun, Junjun; Lin, Hongyan; Chang, Zhihan; Tian, Aixiang; Liu, Guocheng; Wang, Xiang","Novel Anderson-type [TeMo6O24](6-)-based metal-organic complexes tuned by different species and their coordination modes: assembly, various architectures and properties.","Dalton transactions (Cambridge, England : 2003)","2016","45","6","2709","2719","10.1039/c5dt04074d","","","0.71069","MoKα","","0.0223","0.0194","","","0.0501","0.0514","","","","","","0.959","","","","has coordinates","177811","2020-10-21","18:00:00",""
"7037703","7.127","0.002","11.307","0.004","11.422","0.004","98.291","0.003","107.707","0.003","94.031","0.004","861.3","0.5","120","1","120","1","","","","","","","","7","P -1","-P 1","2","","","","- C14 H22 Cl2 Co N2 O S -","- C14 H22 Cl2 Co N2 O S -","- C28 H44 Cl4 Co2 N4 O2 S2 -","2","1","","Dub, Pavel A.; Scott, Brian L.; Gordon, John C.","First-row transition metal complexes of ENENES ligands: the ability of the thioether donor to impact the coordination chemistry.","Dalton transactions (Cambridge, England : 2003)","2016","45","4","1560","1571","10.1039/c5dt03855c","","","0.71073","MoKα","","0.0381","0.0358","","","0.0838","0.0854","","","","","","1.06","","","","has coordinates","176028","2020-10-21","18:00:00",""
"7037704","6.484","0.003","8.921","0.004","19.032","0.009","98.492","0.007","98.646","0.006","106.341","0.006","1023.3","0.8","140","1","140","1","","","","","","","","7","P -1","-P 1","2","","","","- C17 H30 Cl2 N2 Ni O2 S -","- C17 H30 Cl2 N2 Ni O2 S -","- C34 H60 Cl4 N4 Ni2 O4 S2 -","2","1","","Dub, Pavel A.; Scott, Brian L.; Gordon, John C.","First-row transition metal complexes of ENENES ligands: the ability of the thioether donor to impact the coordination chemistry.","Dalton transactions (Cambridge, England : 2003)","2016","45","4","1560","1571","10.1039/c5dt03855c","","","0.71073","MoKα","","0.1171","0.0655","","","0.1311","0.1539","","","","","","1.096","","","","has coordinates","176028","2020-10-21","18:00:00",""
"7037705","12.171","0.003","11.594","0.003","24.657","0.005","90","","100.927","0.002","90","","3416.3","1.4","140","1","140","1","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C28 H44 Cl4 Mn2 N4 O2 S2 -","- C28 H44 Cl4 Mn2 N4 O2 S2 -","- C112 H176 Cl16 Mn8 N16 O8 S8 -","4","1","","Dub, Pavel A.; Scott, Brian L.; Gordon, John C.","First-row transition metal complexes of ENENES ligands: the ability of the thioether donor to impact the coordination chemistry.","Dalton transactions (Cambridge, England : 2003)","2016","45","4","1560","1571","10.1039/c5dt03855c","","","0.71073","MoKα","","0.0518","0.0402","","","0.0996","0.1061","","","","","","1.102","","","","has coordinates","176028","2020-10-21","18:00:00",""
"7037706","13.2833","0.0017","11.5401","0.0015","26.694","0.004","90","","90","","90","","4091.9","1","140","1","140","1","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C18 H31 Cl2 Cu N2 O S -","- C15 H24 Cl2 Cu N2 O S -","- C120 H192 Cl16 Cu8 N16 O8 S8 -","8","1","","Dub, Pavel A.; Scott, Brian L.; Gordon, John C.","First-row transition metal complexes of ENENES ligands: the ability of the thioether donor to impact the coordination chemistry.","Dalton transactions (Cambridge, England : 2003)","2016","45","4","1560","1571","10.1039/c5dt03855c","","","0.71073","MoKα","","0.0424","0.0292","","","0.0633","0.0665","","","","","","1.084","","","","has coordinates","176028","2020-10-21","18:00:00",""
"7037707","7.0525","0.0006","21.2477","0.0019","23.0147","0.0017","90","","90.269","0.004","90","","3448.7","0.5","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C14 H22 Cl2 Fe N2 O S -","- C14 H22 Cl2 Fe N2 O S -","- C112 H176 Cl16 Fe8 N16 O8 S8 -","8","2","","Dub, Pavel A.; Scott, Brian L.; Gordon, John C.","First-row transition metal complexes of ENENES ligands: the ability of the thioether donor to impact the coordination chemistry.","Dalton transactions (Cambridge, England : 2003)","2016","45","4","1560","1571","10.1039/c5dt03855c","","","0.71073","MoKα","","0.0504","0.0332","","","0.07","0.0762","","","","","","1.163","","","","has coordinates","176028","2020-10-21","18:00:00",""
"7037708","11.6399","0.0007","11.7048","0.0007","11.8493","0.0007","90","","119.06","0.001","90","","1411.15","0.15","296","2","296","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C4 H32 Cl2 K Mg2 O28 Ru2 -","- C4 H32 Cl2 K Mg2 O28 Ru2 -","- C8 H64 Cl4 K2 Mg4 O56 Ru4 -","2","0.5","","Yang, Jian-Hui; Cheng, Ru-Mei; Jia, Yan-Yan; Jin, Jin; Yang, Bing-Bing; Cao, Zhi; Liu, Bin","Chlorine and temperature directed self-assembly of Mg-Ru2(ii,iii) carbonates and particle size dependent magnetic properties.","Dalton transactions (Cambridge, England : 2003)","2016","45","7","2945","2954","10.1039/c5dt04463d","","","0.71073","MoKα","","0.0359","0.0337","","","0.0978","0.0992","","","","","","1.092","","","","has coordinates","177790","2020-10-21","18:00:00",""
"7037709","14.392","0.003","15.699","0.003","10.741","0.002","90","","90","","90","","2426.8","0.8","293","2","293","2","","","","","","","","7","F m m 2","F 2 -2","42","","","","- C4 H29 Cl3 K2 Mg2 O23 Ru2 -","- C4 H22 Cl3 K2 Mg2 O23 Ru2 -","- C16 H88 Cl12 K8 Mg8 O92 Ru8 -","4","0.25","","Yang, Jian-Hui; Cheng, Ru-Mei; Jia, Yan-Yan; Jin, Jin; Yang, Bing-Bing; Cao, Zhi; Liu, Bin","Chlorine and temperature directed self-assembly of Mg-Ru2(ii,iii) carbonates and particle size dependent magnetic properties.","Dalton transactions (Cambridge, England : 2003)","2016","45","7","2945","2954","10.1039/c5dt04463d","","","0.71073","MoKα","","0.0196","0.0193","","","0.0518","0.052","","","","","","1.094","","","","has coordinates","177790","2020-10-21","18:00:00",""
"7037710","9.6603","0.0019","9.6213","0.0019","11.168","0.002","90","","109.77","0.03","90","","976.8","0.4","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C4 H10 K Mg O22 Ru2 -","- C4 H10 K Mg O22 Ru2 -","- C8 H20 K2 Mg2 O44 Ru4 -","2","1","","Yang, Jian-Hui; Cheng, Ru-Mei; Jia, Yan-Yan; Jin, Jin; Yang, Bing-Bing; Cao, Zhi; Liu, Bin","Chlorine and temperature directed self-assembly of Mg-Ru2(ii,iii) carbonates and particle size dependent magnetic properties.","Dalton transactions (Cambridge, England : 2003)","2016","45","7","2945","2954","10.1039/c5dt04463d","","","0.71073","MoKα","","0.0469","0.0387","","","0.0773","0.0798","","","","","","1.059","","","","has coordinates","177790","2020-10-21","18:00:00",""
"7037711","18.465","0.005","9.367","0.003","10.059","0.003","90","","90","","90","","1739.8","0.9","296","2","296","2","","","","","","","","6","P c c n","-P 2ab 2ac","56","","","","- C4 H10 K Mg O17 Ru2 -","- C4 H10 K Mg O17 Ru2 -","- C16 H40 K4 Mg4 O68 Ru8 -","4","0.5","","Yang, Jian-Hui; Cheng, Ru-Mei; Jia, Yan-Yan; Jin, Jin; Yang, Bing-Bing; Cao, Zhi; Liu, Bin","Chlorine and temperature directed self-assembly of Mg-Ru2(ii,iii) carbonates and particle size dependent magnetic properties.","Dalton transactions (Cambridge, England : 2003)","2016","45","7","2945","2954","10.1039/c5dt04463d","","","0.71073","MoKα","","0.0958","0.0746","","","0.1928","0.2029","","","","","","1.089","","","","has coordinates","177790","2020-10-21","18:00:00",""
"7037712","12.1469","0.0005","24.892","0.001","13.3583","0.0006","90","","106.209","0.004","90","","3878.5","0.3","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C76 H70 Cl4 Dy4 N6 O16 -","- C76 H70 Cl4 Dy4 N6 O16 -","- C152 H140 Cl8 Dy8 N12 O32 -","2","0.5","","Zhang, Da; Tian, Yong-Mei; Sun, Wen-Bin; Li, Hong-Feng; Chen, Peng; Zhang, Yi-Quan; Yan, Peng-Fei","A family of tetranuclear quinolinolate Dy(iii)-based single-molecule magnets: effects of periphery ligand replacement on their magnetic relaxation.","Dalton transactions (Cambridge, England : 2003)","2016","45","6","2674","2680","10.1039/c5dt04362j","","","0.71073","MoKα","","0.0762","0.0475","","","0.0916","0.1071","","","","","","1.022","","","","has coordinates","177819","2020-10-21","18:00:00",""
"7037713","13.9004","0.0005","15.1696","0.0006","16.5072","0.0006","110.993","0.004","104.394","0.003","106.271","0.003","2873.4","0.2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C119 H90 Cl10 Dy4 N6 O16 -","- C119 H90 Cl10 Dy4 N6 O16 -","- C119 H90 Cl10 Dy4 N6 O16 -","1","0.5","","Zhang, Da; Tian, Yong-Mei; Sun, Wen-Bin; Li, Hong-Feng; Chen, Peng; Zhang, Yi-Quan; Yan, Peng-Fei","A family of tetranuclear quinolinolate Dy(iii)-based single-molecule magnets: effects of periphery ligand replacement on their magnetic relaxation.","Dalton transactions (Cambridge, England : 2003)","2016","45","6","2674","2680","10.1039/c5dt04362j","","","0.71073","MoKα","","0.0699","0.0427","","","0.0917","0.1084","","","","","","1.048","","","","has coordinates,has disorder","177819","2020-10-21","18:00:00",""
"7037714","13.1652","0.0002","24.71","0.0003","13.1956","0.0003","90","","101.624","0.0018","90","","4204.65","0.13","293","2","293","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C75 H43 Cl3 Dy4 F24 N6 O16 -","- C75 H43 Cl3 Dy4 F24 N6 O16 -","- C150 H86 Cl6 Dy8 F48 N12 O32 -","2","0.5","","Zhang, Da; Tian, Yong-Mei; Sun, Wen-Bin; Li, Hong-Feng; Chen, Peng; Zhang, Yi-Quan; Yan, Peng-Fei","A family of tetranuclear quinolinolate Dy(iii)-based single-molecule magnets: effects of periphery ligand replacement on their magnetic relaxation.","Dalton transactions (Cambridge, England : 2003)","2016","45","6","2674","2680","10.1039/c5dt04362j","","","0.71073","MoKα","","0.0366","0.0259","","","0.0577","0.0624","","","","","","1.031","","","","has coordinates","177819","2020-10-21","18:00:00",""
"7037715","26.9149","0.0009","31.0829","0.0011","21.2174","0.0007","90","","96.4956","0.0018","90","","17636.4","1","100","2","100","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C88 H62 As10 Cl K Mn8 N4 O52 -","- C88 H62 As10 Cl K Mn8 N4 O52 -","- C352 H248 As40 Cl4 K4 Mn32 N16 O208 -","4","0.5","","Chimamkpam, Theresa O.; Clérac, Rodolphe; Mitcov, Dmitri; Twamley, Brendan; Venkatesan, Munuswamy; Schmitt, Wolfgang","Structural variation in cation-assisted assembly of high-nuclearity Mn arsonate and phosphonate wheels.","Dalton transactions (Cambridge, England : 2003)","2016","45","4","1349","1353","10.1039/c5dt04820f","","","1.54178","CuKα","","0.0836","0.0538","","","0.1512","0.1757","","","","","","1.021","","","","has coordinates","176036","2020-10-21","18:00:00",""
"7037716","47.9173","0.0014","13.8095","0.0006","25.5449","0.0008","90","","90","","90","","16903.4","1","100","2","100","2","","","","","","","","7","P n n 2","P 2 -2n","34","","","","- C208 H184 K2 Mn25 N12 O138 P20 -","- C208 H148 K2 Mn25 N12 O138 P20 -","- C416 H296 K4 Mn50 N24 O276 P40 -","2","0.5","","Chimamkpam, Theresa O.; Clérac, Rodolphe; Mitcov, Dmitri; Twamley, Brendan; Venkatesan, Munuswamy; Schmitt, Wolfgang","Structural variation in cation-assisted assembly of high-nuclearity Mn arsonate and phosphonate wheels.","Dalton transactions (Cambridge, England : 2003)","2016","45","4","1349","1353","10.1039/c5dt04820f","","","1.54178","CuKα","","0.1452","0.0804","","","0.2036","0.2427","","","","","","1","","","","has coordinates,has disorder","176036","2020-10-21","18:00:00",""
"7037717","60.904","0.0008","16.9","0.0002","30.72","0.0005","90","","103.803","0.001","90","","30706.3","0.7","150","2","150","2","","","","","","","synthesis as described","8","C 1 2/c 1","-C 2yc","15","","","","- C208 H362 Cr14 Cu2 F16 N4 Ni2 O74 -","- C208 H362 Cr14 Cu2 F16 N4 Ni2 O74 -","- C832 H1448 Cr56 Cu8 F64 N16 Ni8 O296 -","4","0.5","","Whitehead, George F. S.; Ferrando-Soria, Jesús; Carthy, Laura; Pritchard, Robin G.; Teat, Simon J.; Timco, Grigore A.; Winpenny, Richard E. P.","Synthesis and reactions of N-heterocycle functionalised variants of heterometallic {Cr7Ni} rings.","Dalton transactions (Cambridge, England : 2003)","2016","45","4","1638","1647","10.1039/c5dt04062k","","x-ray","0.71073","MoKα","","0.2025","0.0981","","","0.216","0.2669","","","","","","1.264","","","","has coordinates","176005","2020-10-21","18:00:00",""
"7037718","16.5633","0.0006","34.1024","0.001","48.3098","0.0019","83.302","0.001","87.756","0.001","90.499","0.003","27078.3","1.7","150","2","150","2","","","","","","","synthesis as described","8","P -1","-P 1","2","","","","- C351 H626 Cr28 Cu2 F32 N12 Ni4 O142.5 -","- C351 H626 Cr28 Cu2 F32 N12 Ni4 O142.5 -","- C702 H1252 Cr56 Cu4 F64 N24 Ni8 O285 -","2","1","","Whitehead, George F. S.; Ferrando-Soria, Jesús; Carthy, Laura; Pritchard, Robin G.; Teat, Simon J.; Timco, Grigore A.; Winpenny, Richard E. P.","Synthesis and reactions of N-heterocycle functionalised variants of heterometallic {Cr7Ni} rings.","Dalton transactions (Cambridge, England : 2003)","2016","45","4","1638","1647","10.1039/c5dt04062k","","x-ray","0.71073","MoKα","","0.2643","0.1399","","","0.3019","0.3331","","","","","","1.423","","","","has coordinates,has disorder","211332","2020-10-21","18:00:00",""
"7037719","60.078","0.003","16.6492","0.0007","30.617","0.002","90","","111.154","0.007","90","","28561","3","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C184 H318 Cr14 F22 N4 Ni3 O68 -","- C184 H318 Cr14 F22 N4 Ni3 O68 -","- C736 H1272 Cr56 F88 N16 Ni12 O272 -","4","0.5","","Whitehead, George F. S.; Ferrando-Soria, Jesús; Carthy, Laura; Pritchard, Robin G.; Teat, Simon J.; Timco, Grigore A.; Winpenny, Richard E. P.","Synthesis and reactions of N-heterocycle functionalised variants of heterometallic {Cr7Ni} rings.","Dalton transactions (Cambridge, England : 2003)","2016","45","4","1638","1647","10.1039/c5dt04062k","","","1.54178","CuKα","","0.1661","0.0913","","","0.2308","0.2781","","","","","","0.996","","","","has coordinates,has disorder","176005","2020-10-21","18:00:00",""
"7037720","48.647","0.002","16.5985","0.0005","34.1665","0.0011","90","","96.152","0.003","90","","27429.5","1.7","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C186 H324 Cr14 F16 N5 Ni3 O68 -","- C186 H324 Cr14 F16 N5 Ni3 O68 -","- C744 H1296 Cr56 F64 N20 Ni12 O272 -","4","1","","Whitehead, George F. S.; Ferrando-Soria, Jesús; Carthy, Laura; Pritchard, Robin G.; Teat, Simon J.; Timco, Grigore A.; Winpenny, Richard E. P.","Synthesis and reactions of N-heterocycle functionalised variants of heterometallic {Cr7Ni} rings.","Dalton transactions (Cambridge, England : 2003)","2016","45","4","1638","1647","10.1039/c5dt04062k","","","0.6889","synchrotron","","0.1258","0.0742","","","0.1962","0.2428","","","","","","1.002","","","","has coordinates,has disorder","176005","2020-10-21","18:00:00",""
"7037721","60.628","0.004","16.8601","0.0004","30.7889","0.0013","90","","111.487","0.006","90","","29285","3","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C184 H312 Cr14 F28 N4 Ni3 O68 -","- C184 H312 Cr14 F28 N4 Ni3 O68 -","- C736 H1248 Cr56 F112 N16 Ni12 O272 -","4","0.5","","Whitehead, George F. S.; Ferrando-Soria, Jesús; Carthy, Laura; Pritchard, Robin G.; Teat, Simon J.; Timco, Grigore A.; Winpenny, Richard E. P.","Synthesis and reactions of N-heterocycle functionalised variants of heterometallic {Cr7Ni} rings.","Dalton transactions (Cambridge, England : 2003)","2016","45","4","1638","1647","10.1039/c5dt04062k","","","0.6889","synchrotron","","0.1439","0.1208","","","0.3653","0.3823","","","","","","1.087","","","","has coordinates,has disorder","176005","2020-10-21","18:00:00",""
"7037722","59.324","0.004","16.5419","0.0011","30.8177","0.0012","90","","110.742","0.006","90","","28282","3","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C177 H320 Cr14 F16 N6 Ni3 O73 -","- C177 H316 Cr14 F16 N6 Ni3 O73 -","- C708 H1264 Cr56 F64 N24 Ni12 O292 -","4","0.5","","Whitehead, George F. S.; Ferrando-Soria, Jesús; Carthy, Laura; Pritchard, Robin G.; Teat, Simon J.; Timco, Grigore A.; Winpenny, Richard E. P.","Synthesis and reactions of N-heterocycle functionalised variants of heterometallic {Cr7Ni} rings.","Dalton transactions (Cambridge, England : 2003)","2016","45","4","1638","1647","10.1039/c5dt04062k","","","0.6889","synchrotron","","0.1607","0.137","","","0.3487","0.3703","","","","","","1.099","","","","has coordinates,has disorder","176005","2020-10-21","18:00:00",""
"7037723","25.141","0.003","17.059","0.002","30.727","0.004","90","","106.127","0.002","90","","12660","3","150","2","150","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","[nPr2NH2][Cr7NiF8(O2C5H9)15(O2CC5H4N)]","","- C87 H155 Cr7 F8 N2 Ni O32 -","- C87 H155 Cr7.04 F8 N2 Ni1.04 O32 -","- C348 H620 Cr28.16 F32 N8 Ni4.16 O128 -","4","1","","Whitehead, George F. S.; Ferrando-Soria, Jesús; Carthy, Laura; Pritchard, Robin G.; Teat, Simon J.; Timco, Grigore A.; Winpenny, Richard E. P.","Synthesis and reactions of N-heterocycle functionalised variants of heterometallic {Cr7Ni} rings.","Dalton transactions (Cambridge, England : 2003)","2016","45","4","1638","1647","10.1039/c5dt04062k","","","0.6933","synchrotron","","0.1416","0.0986","","","0.264","0.3017","","","","","","1.024","","","","has coordinates","176005","2020-10-21","18:00:00",""
"7037724","25.2879","0.0014","16.7259","0.0009","30.8206","0.0015","90","","109.154","0.006","90","","12314.3","1.2","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","[nPr2NH2][Cr7NiF8(O2C5H9)(O2CC2H2C5H4N)]","","- C89 H157 Cr7 F8 N2 Ni O32 -","- C89 H157 Cr7 F8 N2 Ni O32 -","- C356 H628 Cr28 F32 N8 Ni4 O128 -","4","1","","Whitehead, George F. S.; Ferrando-Soria, Jesús; Carthy, Laura; Pritchard, Robin G.; Teat, Simon J.; Timco, Grigore A.; Winpenny, Richard E. P.","Synthesis and reactions of N-heterocycle functionalised variants of heterometallic {Cr7Ni} rings.","Dalton transactions (Cambridge, England : 2003)","2016","45","4","1638","1647","10.1039/c5dt04062k","","","1.54178","CuKα","","0.1418","0.0812","","","0.195","0.2323","","","","","","1.021","","","","has coordinates,has disorder","176005","2020-10-21","18:00:00",""
"7037725","25.4134","0.0006","16.6467","0.0004","31.7318","0.0007","90","","108.992","0.002","90","","12693.4","0.5","150","2","150","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","[nPr2NH2][Cr7NiF8(O2C5H9)(O2CC4H3N2)]","","- C86 H154 Cr7 F8 N3 Ni O32 -","- C86 H154 Cr7 F8 N3 Ni O32 -","- C344 H616 Cr28 F32 N12 Ni4 O128 -","4","1","","Whitehead, George F. S.; Ferrando-Soria, Jesús; Carthy, Laura; Pritchard, Robin G.; Teat, Simon J.; Timco, Grigore A.; Winpenny, Richard E. P.","Synthesis and reactions of N-heterocycle functionalised variants of heterometallic {Cr7Ni} rings.","Dalton transactions (Cambridge, England : 2003)","2016","45","4","1638","1647","10.1039/c5dt04062k","","","0.71073","MoKα","","0.1504","0.1296","","","0.3263","0.3419","","","","","","1.092","","","","has coordinates,has disorder","176005","2020-10-21","18:00:00",""
"7037726","33.3454","0.001","16.4902","0.0005","49.2045","0.0016","90","","90","","90","","27056.2","1.5","150","2","150","2","","","","","","","","7","P n a 21","P 2c -2n","33","","[[nPr2NH2][Cr7NiF8(O2C5H9)(O2CC5H4N)]]2[AgNO3]","","- C177 H316 Ag Cr16 F16 N5 O68 -","- C177 H316 Ag Cr16 F16 N5 O68 -","- C708 H1264 Ag4 Cr64 F64 N20 O272 -","4","1","","Whitehead, George F. S.; Ferrando-Soria, Jesús; Carthy, Laura; Pritchard, Robin G.; Teat, Simon J.; Timco, Grigore A.; Winpenny, Richard E. P.","Synthesis and reactions of N-heterocycle functionalised variants of heterometallic {Cr7Ni} rings.","Dalton transactions (Cambridge, England : 2003)","2016","45","4","1638","1647","10.1039/c5dt04062k","","","0.7749","synchrotron","","0.1206","0.1062","","","0.2781","0.2891","","","","","","1.07","","","","has coordinates","176005","2020-10-21","18:00:00",""
"7037727","16.476","0.0003","25.5232","0.0005","33.692","0.0005","96.772","0.001","90.441","0.001","105.705","0.002","13532.5","0.4","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","[[nPr2NH2][Cr7NiF8(O2C5H9)(O2CC2H2C5H4N)]]2[Cu(NO3)2]","","- C196 H352 Cr14 Cu F16 N6 Ni2 O78 -","- C196 H346 Cr14 Cu F16 N6 Ni2 O78 -","- C392 H692 Cr28 Cu2 F32 N12 Ni4 O156 -","2","1","","Whitehead, George F. S.; Ferrando-Soria, Jesús; Carthy, Laura; Pritchard, Robin G.; Teat, Simon J.; Timco, Grigore A.; Winpenny, Richard E. P.","Synthesis and reactions of N-heterocycle functionalised variants of heterometallic {Cr7Ni} rings.","Dalton transactions (Cambridge, England : 2003)","2016","45","4","1638","1647","10.1039/c5dt04062k","","","1.54178","CuKα","","0.1177","0.0914","","","0.2327","0.252","","","","","","1.043","","","","has coordinates,has disorder","176005","2020-10-21","18:00:00",""
"7037728","16.4384","0.0006","16.7162","0.0006","26.8666","0.0012","99.15","0.003","98.927","0.003","112.035","0.002","6567.5","0.5","90","2","90","2","","","","","","","","8","P -1","-P 1","2","","[nPr2NH2][Cr7NiF8(O2C5H9)(O2CC5H4N)]2[Cu(hfac)2]","","- C184 H312 Cr14 Cu F28 N4 Ni2 O68 -","- C184 H312 Cr14 Cu F28 N4 Ni2 O68 -","- C184 H312 Cr14 Cu F28 N4 Ni2 O68 -","1","0.5","","Whitehead, George F. S.; Ferrando-Soria, Jesús; Carthy, Laura; Pritchard, Robin G.; Teat, Simon J.; Timco, Grigore A.; Winpenny, Richard E. P.","Synthesis and reactions of N-heterocycle functionalised variants of heterometallic {Cr7Ni} rings.","Dalton transactions (Cambridge, England : 2003)","2016","45","4","1638","1647","10.1039/c5dt04062k","","","0.7749","synchrotron","","0.0993","0.0685","","","0.1902","0.2098","","","","","","1.059","","","","has coordinates","176005","2020-10-21","18:00:00",""
"7037729","16.5428","0.0005","16.6931","0.0005","26.9382","0.0011","99.731","0.002","98.643","0.002","111.648","0.002","6628.7","0.4","90","2","90","2","","","","","","","","8","P -1","-P 1","2","","[nPr2NH2][Cr7NiF8(O2C5H9)(O2CC5H4N)]2[Mn(hfac)2]","","- C184 H312 Cr14 F28 Mn N4 Ni2 O68 -","- C184 H312 Cr14 F28 Mn N4 Ni2 O68 -","- C184 H312 Cr14 F28 Mn N4 Ni2 O68 -","1","0.5","","Whitehead, George F. S.; Ferrando-Soria, Jesús; Carthy, Laura; Pritchard, Robin G.; Teat, Simon J.; Timco, Grigore A.; Winpenny, Richard E. P.","Synthesis and reactions of N-heterocycle functionalised variants of heterometallic {Cr7Ni} rings.","Dalton transactions (Cambridge, England : 2003)","2016","45","4","1638","1647","10.1039/c5dt04062k","","","0.7749","synchrotron","","0.1046","0.08","","","0.2136","0.24","","","","","","1.09","","","","has coordinates","176005","2020-10-21","18:00:00",""
"7037730","55.007","0.0014","17.2341","0.0004","30.5232","0.0008","90","","90","","90","","28935.9","1.3","100","2","100","2","","","","","","","synthesis as described","7","P c c n","-P 2ab 2ac","56","","[nPr2NH2][Cr7NiF8(O2C5H9)(O2CC4H3N2)]2[Ni(hfac)2]","","- C182 H312 Cr14 F28 N6 Ni3 O68 -","- C182 H310 Cr14 F28 N6 Ni3 O68 -","- C728 H1240 Cr56 F112 N24 Ni12 O272 -","4","0.5","","Whitehead, George F. S.; Ferrando-Soria, Jesús; Carthy, Laura; Pritchard, Robin G.; Teat, Simon J.; Timco, Grigore A.; Winpenny, Richard E. P.","Synthesis and reactions of N-heterocycle functionalised variants of heterometallic {Cr7Ni} rings.","Dalton transactions (Cambridge, England : 2003)","2016","45","4","1638","1647","10.1039/c5dt04062k","","x-ray","0.7749","synchrotron","","0.0782","0.0588","","","0.1692","0.1876","","","","","","1.025","","","","has coordinates","176005","2020-10-21","18:00:00",""
"7037731","30.477","0.005","16.591","0.003","53.88","0.008","90","","99.48","0.002","90","","26872","8","150","2","150","2","","","","","","","","9","P 1 21/c 1","-P 2ybc","14","","[nPr2NH2][Cr7NiF8(O2C5H9)(O2CC5H4N)]2[ReCl(CO)3]","","- C177 H310 Cl Cr14 F16 N4 Ni2 O67 Re -","- C177 H310 Cl Cr14 F16 N4 Ni2 O67 Re -","- C708 H1240 Cl4 Cr56 F64 N16 Ni8 O268 Re4 -","4","1","","Whitehead, George F. S.; Ferrando-Soria, Jesús; Carthy, Laura; Pritchard, Robin G.; Teat, Simon J.; Timco, Grigore A.; Winpenny, Richard E. P.","Synthesis and reactions of N-heterocycle functionalised variants of heterometallic {Cr7Ni} rings.","Dalton transactions (Cambridge, England : 2003)","2016","45","4","1638","1647","10.1039/c5dt04062k","","","0.71073","MoKα","","0.2317","0.156","","","0.3572","0.4004","","","","","","1.043","","","","has coordinates","176005","2020-10-21","18:00:00",""
"7037732","47.9643","0.0014","16.6262","0.0005","26.0764","0.0008","90","","90","","90","","20795","1.1","100","2","100","2","","","","","","","","7","P n n m","-P 2 2n","58","","[nPr2NH2][Cr7NiF8(O2C5H9)(O2CC5H4N)]2[Ni2(O2C5H9)4]","","- C200 H358 Cr14 F16 N4 Ni4 O74 -","- C200 H362 Cr14 F16 N4 Ni4 O74 -","- C400 H724 Cr28 F32 N8 Ni8 O148 -","2","0.25","","Whitehead, George F. S.; Ferrando-Soria, Jesús; Carthy, Laura; Pritchard, Robin G.; Teat, Simon J.; Timco, Grigore A.; Winpenny, Richard E. P.","Synthesis and reactions of N-heterocycle functionalised variants of heterometallic {Cr7Ni} rings.","Dalton transactions (Cambridge, England : 2003)","2016","45","4","1638","1647","10.1039/c5dt04062k","","","0.7749","synchrotron","","0.1717","0.1564","","","0.4032","0.4114","","","","","","1.145","","","","has coordinates","176005","2020-10-21","18:00:00",""
"7037733","58.317","0.006","58.317","0.006","16.7336","0.0018","90","","90","","90","","56909","10","150","2","150","2","","","","","","","","8","I 41/a :2","-I 4ad","88","","[nPr2NH2][Cr7NiF8(O2C5H9)(O2CC5H4N)]2[Co2(O2C5H9)4]","","- C194 H346 Co2 Cr14 F16 N4 Ni2 O72 -","- C194 H346 Co2 Cr14 F16 N4 Ni2 O72 -","- C1552 H2768 Co16 Cr112 F128 N32 Ni16 O576 -","8","0.5","","Whitehead, George F. S.; Ferrando-Soria, Jesús; Carthy, Laura; Pritchard, Robin G.; Teat, Simon J.; Timco, Grigore A.; Winpenny, Richard E. P.","Synthesis and reactions of N-heterocycle functionalised variants of heterometallic {Cr7Ni} rings.","Dalton transactions (Cambridge, England : 2003)","2016","45","4","1638","1647","10.1039/c5dt04062k","","x-ray","1.54178","CuKα","","0.1616","0.0791","","","0.1892","0.225","","","","","","1.05","","","","has coordinates","176005","2020-10-21","18:00:00",""
"7037734","61.551","0.003","17.0854","0.0005","30.5948","0.0008","90","","104.182","0.004","90","","31194","2","100","2","100","2","","","","","","","","10","C 1 2/c 1","-C 2yc","15","","[nPr2NH2][Cr7NiF8(O2C5H9)(O2CC5H4N)]2[Ru2(O2C5H9)4]","","- C196 H348 B Cl6 Cr14 F20 N4 Ni2 O72 Ru2 -","- C196 H348 Cl6 Cr14 F16 N4 Ni2 O72 Ru2 -","- C784 H1392 Cl24 Cr56 F64 N16 Ni8 O288 Ru8 -","4","0.5","","Whitehead, George F. S.; Ferrando-Soria, Jesús; Carthy, Laura; Pritchard, Robin G.; Teat, Simon J.; Timco, Grigore A.; Winpenny, Richard E. P.","Synthesis and reactions of N-heterocycle functionalised variants of heterometallic {Cr7Ni} rings.","Dalton transactions (Cambridge, England : 2003)","2016","45","4","1638","1647","10.1039/c5dt04062k","","","0.6889","synchrotron","","0.1151","0.0816","","","0.2307","0.2659","","","","","","1.04","","","","has coordinates,has disorder","176005","2020-10-21","18:00:00",""
"7037735","56.127","0.007","16.2525","0.0019","31.418","0.004","90","","111.474","0.002","90","","26670","6","100","","100","","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","[nPr2NH2][Cr7NiF8(O2C5H9)(O2CC5H4N)]2[Re2(O2C2H3)4]","","- C182 H322 Cr14 F16 N4 Ni2 O72 Rh2 -","- C182 H322 Cr14 F16 N4 Ni2 O72 Rh2 -","- C728 H1288 Cr56 F64 N16 Ni8 O288 Rh8 -","4","0.5","","Whitehead, George F. S.; Ferrando-Soria, Jesús; Carthy, Laura; Pritchard, Robin G.; Teat, Simon J.; Timco, Grigore A.; Winpenny, Richard E. P.","Synthesis and reactions of N-heterocycle functionalised variants of heterometallic {Cr7Ni} rings.","Dalton transactions (Cambridge, England : 2003)","2016","45","4","1638","1647","10.1039/c5dt04062k","","","0.7749","synchrotron","","0.0951","0.0697","","","0.1943","0.2173","","","","","","1.041","","","","has coordinates,has disorder","176005","2020-10-21","18:00:00",""
"7037736","31.2667","0.0015","17.5635","0.0009","30.8297","0.0015","90","","117.007","0.002","90","","15084","1.3","100","2","100","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","[nPr2NH2][Cr7NiF8(O2C5H9)(O2CC2H2C5H4N)]2[Cu2(O2C5H9)4]","","- C212 H366 Cr14 Cu2 F16 N4 Ni2 O72 -","- C212 H366 Cr14 Cu2 F16 N4 Ni2 O72 -","- C424 H732 Cr28 Cu4 F32 N8 Ni4 O144 -","2","0.5","","Whitehead, George F. S.; Ferrando-Soria, Jesús; Carthy, Laura; Pritchard, Robin G.; Teat, Simon J.; Timco, Grigore A.; Winpenny, Richard E. P.","Synthesis and reactions of N-heterocycle functionalised variants of heterometallic {Cr7Ni} rings.","Dalton transactions (Cambridge, England : 2003)","2016","45","4","1638","1647","10.1039/c5dt04062k","","","0.7749","synchrotron","","0.106","0.0805","","","0.2383","0.264","","","","","","1.017","","","","has coordinates","176005","2020-10-21","18:00:00",""
"7037737","60.7106","0.0012","16.7468","0.0004","30.4987","0.0009","90","","103.99","0.0009","90","","30088.5","1.3","100","2","100","2","","","","","","","synthesis as described","8","C 1 2/c 1","-C 2yc","15","Compound X","[nPr2NH2][Cr7NiF8(O2C5H9)(O2CC4H3N2)]2[Cu2(O2C5H9)4]","","- C192 H344 Cr14 Cu2 F16 N6 Ni2 O72 -","- C192 H344 Cr14 Cu2 F16 N6 Ni2 O72 -","- C768 H1376 Cr56 Cu8 F64 N24 Ni8 O288 -","4","0.5","","Whitehead, George F. S.; Ferrando-Soria, Jesús; Carthy, Laura; Pritchard, Robin G.; Teat, Simon J.; Timco, Grigore A.; Winpenny, Richard E. P.","Synthesis and reactions of N-heterocycle functionalised variants of heterometallic {Cr7Ni} rings.","Dalton transactions (Cambridge, England : 2003)","2016","45","4","1638","1647","10.1039/c5dt04062k","","x-ray","0.71073","MoKα","","0.2378","0.1339","","","0.3447","0.4096","","","","","","1.278","","","","has coordinates,has disorder","176005","2020-10-21","18:00:00",""
"7037738","15.259","0.0007","52.666","0.002","10.2673","0.0005","90","","90","","90","","8251.1","0.6","100","","100","","","","","","","","","6","F d d 2","F 2 -2d","43","","","","- C38 H58 Al2 N2 P2 Si2 -","- C38 H58 Al2 N2 P2 Si2 -","- C304 H464 Al16 N16 P16 Si16 -","8","0.5","","Kapitein, Manuel; Balmer, Markus; Niemeier, Lukas; von Hänisch, Carsten","Cyclic NHC-stabilized silylphosphinoalanes and -gallanes.","Dalton transactions (Cambridge, England : 2003)","2016","45","14","6275","6281","10.1039/c5dt03889h","","","0.71073","MoKα","","0.0531","0.039","","","0.0758","0.0802","","","","","","1.037","","","","has coordinates","181724","2020-10-21","18:00:00",""
"7037739","15.355","0.003","52.413","0.009","10.2974","0.0016","90","","90","","90","","8287","3","100","","100","","","","","","","","","6","F d d 2","F 2 -2d","43","","","","- C38 H58 Ga2 N2 P2 Si2 -","- C38 H58 Ga2 N2 P2 Si2 -","- C304 H464 Ga16 N16 P16 Si16 -","8","0.5","","Kapitein, Manuel; Balmer, Markus; Niemeier, Lukas; von Hänisch, Carsten","Cyclic NHC-stabilized silylphosphinoalanes and -gallanes.","Dalton transactions (Cambridge, England : 2003)","2016","45","14","6275","6281","10.1039/c5dt03889h","","x-ray","0.71073","MoKα","","0.0511","0.0367","","","0.0617","0.065","","","","","","1.073","","","","has coordinates","181724","2020-10-21","18:00:00",""
"7037740","19.8408","0.0008","17.8369","0.0008","29.8764","0.0013","90","","90","","90","","10573.2","0.8","100","","100","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C50 H72 Al2 N4 P2 Si2 -","- C50 H72 Al2 N4 P2 Si2 -","- C400 H576 Al16 N32 P16 Si16 -","8","1","","Kapitein, Manuel; Balmer, Markus; Niemeier, Lukas; von Hänisch, Carsten","Cyclic NHC-stabilized silylphosphinoalanes and -gallanes.","Dalton transactions (Cambridge, England : 2003)","2016","45","14","6275","6281","10.1039/c5dt03889h","","","0.71073","MoKα","","0.0478","0.0325","","","0.0721","0.0789","","","","","","1.04","","","","has coordinates","181724","2020-10-21","18:00:00",""
"7037741","15.8684","0.0007","20.7005","0.0009","19.0724","0.0009","90","","92.019","0.002","90","","6261.1","0.5","100","","100","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C62 H86 Al2 N4 O P2 Si2 -","- C62 H86 Al2 N4 O P2 Si2 -","- C248 H344 Al8 N16 O4 P8 Si8 -","4","1","","Kapitein, Manuel; Balmer, Markus; Niemeier, Lukas; von Hänisch, Carsten","Cyclic NHC-stabilized silylphosphinoalanes and -gallanes.","Dalton transactions (Cambridge, England : 2003)","2016","45","14","6275","6281","10.1039/c5dt03889h","","","0.71073","MoKα","","0.0602","0.0362","","","0.0767","0.0863","","","","","","1.033","","","","has coordinates","181724","2020-10-21","18:00:00",""
"7037742","19.867","0.002","17.862","0.0017","29.774","0.003","90","","90","","90","","10565.7","1.8","100","","100","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C50 H72 Ga2 N4 P2 Si2 -","- C50 H72 Ga2 N4 P2 Si2 -","- C400 H576 Ga16 N32 P16 Si16 -","8","1","","Kapitein, Manuel; Balmer, Markus; Niemeier, Lukas; von Hänisch, Carsten","Cyclic NHC-stabilized silylphosphinoalanes and -gallanes.","Dalton transactions (Cambridge, England : 2003)","2016","45","14","6275","6281","10.1039/c5dt03889h","","","0.71073","MoKα","","0.0617","0.0361","","","0.0682","0.0774","","","","","","1.052","","","","has coordinates","181724","2020-10-21","18:00:00",""
"7037743","16.4","0.01","20.163","0.006","19.244","0.012","90","","94.09","0.05","90","","6347","6","100","","100","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C65 H84 Ga2 N4 P2 Si2 -","- C65 H84 Ga2 N4 P2 Si2 -","- C260 H336 Ga8 N16 P8 Si8 -","4","1","","Kapitein, Manuel; Balmer, Markus; Niemeier, Lukas; von Hänisch, Carsten","Cyclic NHC-stabilized silylphosphinoalanes and -gallanes.","Dalton transactions (Cambridge, England : 2003)","2016","45","14","6275","6281","10.1039/c5dt03889h","","","0.71073","MoKα","","0.0881","0.0557","","","0.1351","0.1483","","","","","","0.965","","","","has coordinates","181724","2020-10-21","18:00:00",""
"7037744","12.4787","0.0002","11.3676","0.0001","13.2916","0.0002","90","","107.962","0.001","90","","1793.56","0.04","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C16 H21 Cl2 O2 P Ru -","- C16 H21 Cl2 O2 P Ru -","- C64 H84 Cl8 O8 P4 Ru4 -","4","1","","Delgado Calvo, Fuencisla; Mirabello, Vincenzo; Caporali, Maria; Oberhauser, Werner; Raltchev, Kolio; Karaghiosoff, Konstantin; Peruzzini, Maurizio","A straightforward access to ruthenium-coordinated fluorophosphines from phosphorous oxyacids.","Dalton transactions (Cambridge, England : 2003)","2016","45","5","2284","2293","10.1039/c5dt04624f","","","1.5418","","","0.0485","0.0429","","","0.1131","0.1178","","","","","","1.043","","","","has coordinates","176090","2020-10-21","18:00:00",""
"7037745","12.5099","0.0002","13.2579","0.0002","28.0827","0.0006","90","","96.283","0.002","90","","4629.68","0.14","150","2","150","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C49 H42 Cl2 F3 O5 P3 Ru S -","- C49 H42 Cl2 F3 O5 P3 Ru S -","- C196 H168 Cl8 F12 O20 P12 Ru4 S4 -","4","1","","Delgado Calvo, Fuencisla; Mirabello, Vincenzo; Caporali, Maria; Oberhauser, Werner; Raltchev, Kolio; Karaghiosoff, Konstantin; Peruzzini, Maurizio","A straightforward access to ruthenium-coordinated fluorophosphines from phosphorous oxyacids.","Dalton transactions (Cambridge, England : 2003)","2016","45","5","2284","2293","10.1039/c5dt04624f","","","0.71073","","","0.0499","0.0413","","","0.1066","0.1132","","","","","","1.045","","","","has coordinates","176090","2020-10-21","18:00:00",""
"7037746","17.172","0.0003","23.4197","0.0002","15.6447","0.0003","90","","113.927","0.002","90","","5751.03","0.18","233","2","233","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C30 H24 Au Co F6 P2 -","- C30 H24 Au Co F6 P2 -","- C240 H192 Au8 Co8 F48 P16 -","8","1","","Vanicek, S.; Kopacka, H.; Wurst, K.; Vergeiner, S.; Kankowski, S.; Schur, J.; Bildstein, B.; Ott, I.","Cobaltoceniumethynyl gold(i) as an unusual heterodinuclear bioorganometallic fragment to study the biological properties of alkynyl gold complexes.","Dalton transactions (Cambridge, England : 2003)","2016","45","4","1345","1348","10.1039/c5dt04796j","","","0.71073","MoKα","","0.0421","0.0335","","","0.0846","0.0895","","","","","","1.04","","","","has coordinates,has disorder","176011","2020-10-21","18:00:00",""
"7037747","13.3787","0.0006","13.9151","0.0006","15.166","0.0007","117.297","0.003","92.968","0.004","106.865","0.003","2343.7","0.2","233","2","233","2","","","","","","","","6","P -1","-P 1","2","","","","- C24 H18 Au Co2 F6 P -","- C24 H18 Au Co2 F6 P -","- C96 H72 Au4 Co8 F24 P4 -","4","2","","Vanicek, S.; Kopacka, H.; Wurst, K.; Vergeiner, S.; Kankowski, S.; Schur, J.; Bildstein, B.; Ott, I.","Cobaltoceniumethynyl gold(i) as an unusual heterodinuclear bioorganometallic fragment to study the biological properties of alkynyl gold complexes.","Dalton transactions (Cambridge, England : 2003)","2016","45","4","1345","1348","10.1039/c5dt04796j","","","0.71073","MoKα","","0.0491","0.0387","","","0.1001","0.1057","","","","","","1.041","","","","has coordinates","176011","2020-10-21","18:00:00",""
"7037748","10.7074","0.0003","28.5474","0.0008","8","0.0002","90","","90","","90","","2445.35","0.11","293","2","293","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C21 H21 Mn2 N O13.5 -","- C21 H20 Mn2 N O13.5 -","- C84 H80 Mn8 N4 O54 -","4","1","","Yue, Qi; Wang, Na-Na; Guo, Shao-Yun; Liang, Lu-Lu; Gao, En-Qing","Homochiral and heterochiral Mn(ii) coordination frameworks: spontaneous resolution dependent on dipyridyl ligands.","Dalton transactions (Cambridge, England : 2003)","2016","45","4","1335","1338","10.1039/c5dt04385a","","","0.71073","MoKα","","0.039","0.0363","","","0.0824","0.0834","","","","","","1.179","","","","has coordinates","176033","2020-10-21","18:00:00",""
"7037749","7.963","0.0004","10.734","0.0005","30.1664","0.0013","90","","90.487","0.001","90","","2578.4","0.2","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C22 H22 Mn2 N O13.5 -","- C22 H21 Mn2 N O13.5 -","- C88 H84 Mn8 N4 O54 -","4","1","","Yue, Qi; Wang, Na-Na; Guo, Shao-Yun; Liang, Lu-Lu; Gao, En-Qing","Homochiral and heterochiral Mn(ii) coordination frameworks: spontaneous resolution dependent on dipyridyl ligands.","Dalton transactions (Cambridge, England : 2003)","2016","45","4","1335","1338","10.1039/c5dt04385a","","","0.71073","MoKα","","0.0463","0.0352","","","0.0895","0.0949","","","","","","1.053","","","","has coordinates","176033","2020-10-21","18:00:00",""
"7037750","8.0116","0.0004","10.7378","0.0005","30.3601","0.0015","90","","91.004","0.001","90","","2611.4","0.2","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C22 H24 Mn2 N O14 -","- C22 H22 Mn2 N O14 -","- C88 H88 Mn8 N4 O56 -","4","1","","Yue, Qi; Wang, Na-Na; Guo, Shao-Yun; Liang, Lu-Lu; Gao, En-Qing","Homochiral and heterochiral Mn(ii) coordination frameworks: spontaneous resolution dependent on dipyridyl ligands.","Dalton transactions (Cambridge, England : 2003)","2016","45","4","1335","1338","10.1039/c5dt04385a","","","0.71073","MoKα","","0.0686","0.0594","","","0.1408","0.1447","","","","","","1.157","","","","has coordinates","176033","2020-10-21","18:00:00",""
"7037751","13.9969","0.001","14.1432","0.001","14.9746","0.0011","63.896","0.001","81.024","0.001","65.465","0.001","2420.4","0.3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C48 H22 F12 N4 O15 Tb2 -","- C48 H22 F12 N4 O15 Tb2 -","- C96 H44 F24 N8 O30 Tb4 -","2","1","","Li, Jia-Jia; Fan, Ting-Ting; Qu, Xiang-Long; Han, Hong-Liang; Li, Xia","Temperature-induced 1D lanthanide polymeric frameworks based on Lnn (n = 2, 2, 4, 6) cores: synthesis, crystal structures and luminescence properties.","Dalton transactions (Cambridge, England : 2003)","2016","45","7","2924","2935","10.1039/c5dt04262c","","","0.71073","MoKα","","0.0675","0.0498","","","0.1415","0.1686","","","","","","1.052","","","","has coordinates","177793","2020-10-21","18:00:00",""
"7037752","13.9748","0.0005","14.1728","0.0005","15.0597","0.0006","63.683","0.001","81.127","0.001","65.56","0.001","2432.48","0.16","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C48 H22 F12 N4 O15 Sm2 -","- C48 H22 F12 N4 O15 Sm2 -","- C96 H44 F24 N8 O30 Sm4 -","2","1","","Li, Jia-Jia; Fan, Ting-Ting; Qu, Xiang-Long; Han, Hong-Liang; Li, Xia","Temperature-induced 1D lanthanide polymeric frameworks based on Lnn (n = 2, 2, 4, 6) cores: synthesis, crystal structures and luminescence properties.","Dalton transactions (Cambridge, England : 2003)","2016","45","7","2924","2935","10.1039/c5dt04262c","","","0.71073","MoKα","","0.0481","0.032","","","0.0753","0.0793","","","","","","1.062","","","","has coordinates","177793","2020-10-21","18:00:00",""
"7037753","14.0352","0.0006","14.0913","0.0006","14.8999","0.0006","64.126","0.001","80.699","0.001","65.526","0.001","2412.52","0.18","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C48 H22 Dy2 F12 N4 O15 -","- C48 H22 Dy2 F12 N4 O15 -","- C96 H44 Dy4 F24 N8 O30 -","2","1","","Li, Jia-Jia; Fan, Ting-Ting; Qu, Xiang-Long; Han, Hong-Liang; Li, Xia","Temperature-induced 1D lanthanide polymeric frameworks based on Lnn (n = 2, 2, 4, 6) cores: synthesis, crystal structures and luminescence properties.","Dalton transactions (Cambridge, England : 2003)","2016","45","7","2924","2935","10.1039/c5dt04262c","","","0.71073","MoKα","","0.0349","0.031","","","0.0763","0.079","","","","","","1.072","","","","has coordinates","177793","2020-10-21","18:00:00",""
"7037754","13.9713","0.0006","14.1629","0.0006","15.0301","0.0006","63.682","0.001","81.134","0.001","65.495","0.001","2424.06","0.18","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C48 H22 F12 Gd2 N4 O15 -","- C48 H22 F12 Gd2 N4 O15 -","- C96 H44 F24 Gd4 N8 O30 -","2","1","","Li, Jia-Jia; Fan, Ting-Ting; Qu, Xiang-Long; Han, Hong-Liang; Li, Xia","Temperature-induced 1D lanthanide polymeric frameworks based on Lnn (n = 2, 2, 4, 6) cores: synthesis, crystal structures and luminescence properties.","Dalton transactions (Cambridge, England : 2003)","2016","45","7","2924","2935","10.1039/c5dt04262c","","","0.71073","MoKα","","0.0315","0.0277","","","0.0778","0.0805","","","","","","1.022","","","","has coordinates","177793","2020-10-21","18:00:00",""
"7037755","14.8112","0.0005","15.1466","0.0006","17.7503","0.0006","94.03","0.001","106.695","0.001","106.009","0.001","3617.7","0.2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C75 H31 F20 N6 O21 Tb3 -","- C75 H31 F20 N6 O21 Tb3 -","- C150 H62 F40 N12 O42 Tb6 -","2","1","","Li, Jia-Jia; Fan, Ting-Ting; Qu, Xiang-Long; Han, Hong-Liang; Li, Xia","Temperature-induced 1D lanthanide polymeric frameworks based on Lnn (n = 2, 2, 4, 6) cores: synthesis, crystal structures and luminescence properties.","Dalton transactions (Cambridge, England : 2003)","2016","45","7","2924","2935","10.1039/c5dt04262c","","","0.71073","MoKα","","0.0385","0.0311","","","0.078","0.0835","","","","","","1.011","","","","has coordinates,has disorder","177793","2020-10-21","18:00:00",""
"7037756","14.9487","0.0008","15.1983","0.0008","17.8426","0.0009","93.961","0.001","106.575","0.001","106.246","0.001","3681","0.3","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C75 H31 Dy3 F20 N6 O21 -","- C75 H31 Dy3 F20 N6 O21 -","- C150 H62 Dy6 F40 N12 O42 -","2","1","","Li, Jia-Jia; Fan, Ting-Ting; Qu, Xiang-Long; Han, Hong-Liang; Li, Xia","Temperature-induced 1D lanthanide polymeric frameworks based on Lnn (n = 2, 2, 4, 6) cores: synthesis, crystal structures and luminescence properties.","Dalton transactions (Cambridge, England : 2003)","2016","45","7","2924","2935","10.1039/c5dt04262c","","","0.71073","MoKα","","0.0477","0.0348","","","0.0807","0.088","","","","","","1.027","","","","has coordinates,has disorder","177793","2020-10-21","18:00:00",""
"7037757","14.9051","0.0008","15.1445","0.0008","17.7458","0.0009","94.073","0.001","106.659","0.001","106.268","0.001","3633.8","0.3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C75 H31 F20 N6 O21 Yb3 -","- C75 H31 F20 N6 O21 Yb3 -","- C150 H62 F40 N12 O42 Yb6 -","2","1","","Li, Jia-Jia; Fan, Ting-Ting; Qu, Xiang-Long; Han, Hong-Liang; Li, Xia","Temperature-induced 1D lanthanide polymeric frameworks based on Lnn (n = 2, 2, 4, 6) cores: synthesis, crystal structures and luminescence properties.","Dalton transactions (Cambridge, England : 2003)","2016","45","7","2924","2935","10.1039/c5dt04262c","","","0.71073","MoKα","","0.0942","0.0576","","","0.1174","0.1447","","","","","","1.041","","","","has coordinates,has disorder","177793","2020-10-21","18:00:00",""
"7037758","7.06","0.002","12.176","0.004","15.086","0.005","74.14","0.006","85.654","0.007","80.829","0.007","1230.8","0.7","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C27 H11 F8 La N2 O7 -","- C27 H11 F8 La N2 O7 -","- C54 H22 F16 La2 N4 O14 -","2","1","","Li, Jia-Jia; Fan, Ting-Ting; Qu, Xiang-Long; Han, Hong-Liang; Li, Xia","Temperature-induced 1D lanthanide polymeric frameworks based on Lnn (n = 2, 2, 4, 6) cores: synthesis, crystal structures and luminescence properties.","Dalton transactions (Cambridge, England : 2003)","2016","45","7","2924","2935","10.1039/c5dt04262c","","","0.71073","MoKα","","0.1255","0.0788","","","0.1706","0.2162","","","","","","0.99","","","","has coordinates,has disorder","177793","2020-10-21","18:00:00",""
"7037759","13.7343","0.0011","25.573","0.002","19.4155","0.0016","90","","108.9","0.002","90","","6451.6","0.9","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C66 H22 Eu2 F24 N4 O12 -","- C66 H22 Eu2 F24 N4 O12 -","- C264 H88 Eu8 F96 N16 O48 -","4","1","","Li, Jia-Jia; Fan, Ting-Ting; Qu, Xiang-Long; Han, Hong-Liang; Li, Xia","Temperature-induced 1D lanthanide polymeric frameworks based on Lnn (n = 2, 2, 4, 6) cores: synthesis, crystal structures and luminescence properties.","Dalton transactions (Cambridge, England : 2003)","2016","45","7","2924","2935","10.1039/c5dt04262c","","","0.71073","MoKα","","0.1361","0.0604","","","0.1094","0.1396","","","","","","1.002","","","","has coordinates,has disorder","177793","2020-10-21","18:00:00",""
"7037760","13.7029","0.0011","25.668","0.002","19.3097","0.0015","90","","108.738","0.002","90","","6431.7","0.9","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C66 H22 F24 N4 O12 Tb2 -","- C66 H22 F24 N4 O12 Tb2 -","- C264 H88 F96 N16 O48 Tb8 -","4","1","","Li, Jia-Jia; Fan, Ting-Ting; Qu, Xiang-Long; Han, Hong-Liang; Li, Xia","Temperature-induced 1D lanthanide polymeric frameworks based on Lnn (n = 2, 2, 4, 6) cores: synthesis, crystal structures and luminescence properties.","Dalton transactions (Cambridge, England : 2003)","2016","45","7","2924","2935","10.1039/c5dt04262c","","","0.71073","MoKα","","0.1061","0.0528","","","0.0979","0.1217","","","","","","1.014","","","","has coordinates,has disorder","177793","2020-10-21","18:00:00",""
"7037761","13.965","0.003","14.161","0.003","15.035","0.003","63.69","0.03","81.15","0.03","65.52","0.03","2424.1","1.2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C48 H22 Eu2 F12 N4 O15 -","- C48 H22 Eu2 F12 N4 O15 -","- C96 H44 Eu4 F24 N8 O30 -","2","1","","Li, Jia-Jia; Fan, Ting-Ting; Qu, Xiang-Long; Han, Hong-Liang; Li, Xia","Temperature-induced 1D lanthanide polymeric frameworks based on Lnn (n = 2, 2, 4, 6) cores: synthesis, crystal structures and luminescence properties.","Dalton transactions (Cambridge, England : 2003)","2016","45","7","2924","2935","10.1039/c5dt04262c","","","0.71073","MoKα","","0.0653","0.0367","","","0.0724","0.0787","","","","","","1.013","","","","has coordinates","177793","2020-10-21","18:00:00",""
"7037762","10.2282","0.0004","12.6403","0.0007","31.3839","0.0016","90","","90","","90","","4057.5","0.3","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C34 H41 Cu N6 O19.5 -","- C34 H32 Cu N6 O19.5 -","- C136 H128 Cu4 N24 O78 -","4","1","","Abosede, Olufunso O.; Vyas, Nilima A.; Singh, Sushma B.; Kumbhar, Avinash S.; Kate, Anup; Kumbhar, Anupa A.; Khan, Ayesha; Erxleben, Andrea; Smith, Peter; de Kock, Carmen; Hoffmann, Frank; Obaleye, Joshua A.","Copper(ii) mixed-ligand polypyridyl complexes with doxycycline - structures and biological evaluation.","Dalton transactions (Cambridge, England : 2003)","2016","45","7","3003","3012","10.1039/c5dt04405g","","","0.7107","MoKα","","0.0886","0.0632","","","0.1478","0.167","","","","","","1.047","","","","has coordinates","177769","2020-10-21","18:00:00",""
"7037763","10.2571","0.0007","12.8336","0.0008","28.5532","0.0019","90","","90","","90","","3758.6","0.4","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","Aqua-bipyridine-(6-deoxy-5-oxytetracyclinato)copper(II)-nitrate- tetrahydrate","","- C32 H33 Cu N5 O12 -","- C32 H33 Cu N5 O12 -","- C128 H132 Cu4 N20 O48 -","4","1","","Abosede, Olufunso O.; Vyas, Nilima A.; Singh, Sushma B.; Kumbhar, Avinash S.; Kate, Anup; Kumbhar, Anupa A.; Khan, Ayesha; Erxleben, Andrea; Smith, Peter; de Kock, Carmen; Hoffmann, Frank; Obaleye, Joshua A.","Copper(ii) mixed-ligand polypyridyl complexes with doxycycline - structures and biological evaluation.","Dalton transactions (Cambridge, England : 2003)","2016","45","7","3003","3012","10.1039/c5dt04405g","","","0.71073","MoKα","","0.0882","0.0721","","","0.1935","0.2017","","","","","","1.041","","","","has coordinates","177769","2020-10-21","18:00:00",""
"7037764","12.5796","0.0006","13.3674","0.0005","23.2909","0.0013","89.61","0.004","83.439","0.004","64.895","0.004","3519.5","0.3","120","0.1","120","0.1","","","","","","","","7","P -1","-P 1","2","","","","- C50 H37 F36 Gd2 I N4 O16 -","- C50 H37 F36 Gd2 I N4 O16 -","- C100 H74 F72 Gd4 I2 N8 O32 -","2","1","","Reis, Samira G.; Briganti, Matteo; Martins, Daniel O. T. A.; Akpinar, Handan; Calancea, Sergiu; Guedes, Guilherme P.; Soriano, Stéphane; Andruh, Marius; Cassaro, Rafael A. A.; Lahti, Paul M.; Totti, Federico; Vaz, Maria G. F.","First coordination compounds based on a bis(imino nitroxide) biradical and 4f metal ions: synthesis, crystal structures and magnetic properties.","Dalton transactions (Cambridge, England : 2003)","2016","45","7","2936","2944","10.1039/c5dt04469c","","","0.7107","MoKα","","0.0816","0.0554","","","0.1265","0.1456","","","","","","1.027","","","","has coordinates,has disorder","177776","2020-10-21","18:00:00",""
"7037765","12.5244","0.0008","13.2968","0.0009","23.3803","0.0016","89.62","0.006","83.29","0.006","65.009","0.007","3501","0.5","120","2","120","2","","","","","","","","7","P -1","-P 1","2","","","","- C50 H37 Dy2 F36 I N4 O16 -","- C50 H37 Dy2 F36 I N4 O16 -","- C100 H74 Dy4 F72 I2 N8 O32 -","2","1","","Reis, Samira G.; Briganti, Matteo; Martins, Daniel O. T. A.; Akpinar, Handan; Calancea, Sergiu; Guedes, Guilherme P.; Soriano, Stéphane; Andruh, Marius; Cassaro, Rafael A. A.; Lahti, Paul M.; Totti, Federico; Vaz, Maria G. F.","First coordination compounds based on a bis(imino nitroxide) biradical and 4f metal ions: synthesis, crystal structures and magnetic properties.","Dalton transactions (Cambridge, England : 2003)","2016","45","7","2936","2944","10.1039/c5dt04469c","","","0.71073","MoKα","","0.1293","0.0822","","","0.2082","0.2596","","","","","","1.026","","","","has coordinates,has disorder","177776","2020-10-21","18:00:00",""
"7037766","15.2202","0.0004","12.2385","0.0003","25.4334","0.0007","90","","99.026","0.003","90","","4678.9","0.2","120","1","120","1","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C35 H32 F18 I N4 O9 Tb -","- C35 H32 F18 I N4 O9 Tb -","- C140 H128 F72 I4 N16 O36 Tb4 -","4","1","","Reis, Samira G.; Briganti, Matteo; Martins, Daniel O. T. A.; Akpinar, Handan; Calancea, Sergiu; Guedes, Guilherme P.; Soriano, Stéphane; Andruh, Marius; Cassaro, Rafael A. A.; Lahti, Paul M.; Totti, Federico; Vaz, Maria G. F.","First coordination compounds based on a bis(imino nitroxide) biradical and 4f metal ions: synthesis, crystal structures and magnetic properties.","Dalton transactions (Cambridge, England : 2003)","2016","45","7","2936","2944","10.1039/c5dt04469c","","","0.71073","MoKα","","0.0632","0.05","","","0.1199","0.1284","","","","","","1.039","","","","has coordinates,has disorder","177776","2020-10-21","18:00:00",""
"7037767","15.2921","0.0009","12.4066","0.0008","26.1003","0.0017","90","","99.137","0.002","90","","4889","0.5","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C35 H32 Dy F18 I N4 O9 -","- C35 H32 Dy F18 I N4 O9 -","- C140 H128 Dy4 F72 I4 N16 O36 -","4","1","","Reis, Samira G.; Briganti, Matteo; Martins, Daniel O. T. A.; Akpinar, Handan; Calancea, Sergiu; Guedes, Guilherme P.; Soriano, Stéphane; Andruh, Marius; Cassaro, Rafael A. A.; Lahti, Paul M.; Totti, Federico; Vaz, Maria G. F.","First coordination compounds based on a bis(imino nitroxide) biradical and 4f metal ions: synthesis, crystal structures and magnetic properties.","Dalton transactions (Cambridge, England : 2003)","2016","45","7","2936","2944","10.1039/c5dt04469c","","","0.71073","MoKα","","0.1352","0.1244","","","0.272","0.2794","","","","","","1.066","","","","has coordinates,has disorder","177776","2020-10-21","18:00:00",""
"7037768","12.4367","0.0007","15.9921","0.0009","16.263","0.001","90","","90","","90","","3234.5","0.3","200","2","200","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C16 H18 Cl6 Fe2 In2 N6 O4 -","- C16 H18 Cl6 Fe2 In2 N6 O4 -","- C64 H72 Cl24 Fe8 In8 N24 O16 -","4","1","","Itazaki, Masumi; Ito, Masaki; Nakashima, Satoru; Nakazawa, Hiroshi","Synthesis and characterization of [Fe(NCCH3)6][cis-Fe(InX3)2(CO)4] (X = Cl, Br, I) containing two terminal indium fragments.","Dalton transactions (Cambridge, England : 2003)","2016","45","4","1327","1330","10.1039/c5dt03745j","","","0.7107","MoKα","","0.0325","0.0302","","","0.0572","0.0586","","","","","","1.064","","","","has coordinates","176022","2020-10-21","18:00:00",""
"7037769","24.0932","0.0007","11.7087","0.0003","25.1339","0.0007","90","","93.6994","0.0016","90","","7075.5","0.3","200","2","200","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C16 H18 Br6 Fe2 In2 N6 O4 -","- C16 H18 Br6 Fe2 In2 N6 O4 -","- C128 H144 Br48 Fe16 In16 N48 O32 -","8","2","","Itazaki, Masumi; Ito, Masaki; Nakashima, Satoru; Nakazawa, Hiroshi","Synthesis and characterization of [Fe(NCCH3)6][cis-Fe(InX3)2(CO)4] (X = Cl, Br, I) containing two terminal indium fragments.","Dalton transactions (Cambridge, England : 2003)","2016","45","4","1327","1330","10.1039/c5dt03745j","","","0.7107","MoKα","","0.0686","0.0556","","","0.1434","0.1539","","","","","","1.063","","","","has coordinates","176022","2020-10-21","18:00:00",""
"7037770","13.7811","0.0016","11.8004","0.0014","23.661","0.003","90","","91.9235","0.0017","90","","3845.6","0.8","200","2","200","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C16 H18 Fe2 I6 In2 N6 O4 -","- C16 H18 Fe2 I6 In2 N6 O4 -","- C64 H72 Fe8 I24 In8 N24 O16 -","4","1","","Itazaki, Masumi; Ito, Masaki; Nakashima, Satoru; Nakazawa, Hiroshi","Synthesis and characterization of [Fe(NCCH3)6][cis-Fe(InX3)2(CO)4] (X = Cl, Br, I) containing two terminal indium fragments.","Dalton transactions (Cambridge, England : 2003)","2016","45","4","1327","1330","10.1039/c5dt03745j","","","0.7107","MoKα","","0.0454","0.0365","","","0.083","0.0884","","","","","","1.068","","","","has coordinates","176022","2020-10-21","18:00:00",""
"7037771","16.8756","0.0003","15.1925","0.0002","17.3468","0.0004","90","","116.921","0.003","90","","3965.46","0.16","110","0.14","110","0.14","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C50 H39 F3 P2 Ru -","- C50 H39 F3 P2 Ru -","- C200 H156 F12 P8 Ru4 -","4","1","","Milner, Lucy M.; Hall, Lewis M.; Pridmore, Natalie E.; Skeats, Matthew K.; Whitwood, Adrian C.; Lynam, Jason M.; Slattery, John M.","Access to novel fluorovinylidene ligands via exploitation of outer-sphere electrophilic fluorination: new insights into C-F bond formation and activation.","Dalton transactions (Cambridge, England : 2003)","2016","45","4","1717","1726","10.1039/c5dt04596g","","x-ray","0.71071","MoKα","","0.0437","0.0324","","","0.0724","0.0781","","","","","","1.052","","","","has coordinates,has disorder","176035","2020-10-21","18:00:00",""
"7037772","17.3578","0.0002","14.4425","0.00018","36.1516","0.0004","90","","90","","90","","9062.85","0.18","110.05","0.1","110.05","0.1","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C50 H42 Cl2 F7 P3 Ru -","- C50 H42 Cl2 F7 P3 Ru -","- C400 H336 Cl16 F56 P24 Ru8 -","8","1","","Milner, Lucy M.; Hall, Lewis M.; Pridmore, Natalie E.; Skeats, Matthew K.; Whitwood, Adrian C.; Lynam, Jason M.; Slattery, John M.","Access to novel fluorovinylidene ligands via exploitation of outer-sphere electrophilic fluorination: new insights into C-F bond formation and activation.","Dalton transactions (Cambridge, England : 2003)","2016","45","4","1717","1726","10.1039/c5dt04596g","","x-ray","0.71073","MoKα","","0.032","0.0267","","","0.0601","0.0628","","","","","","1.066","","","","has coordinates,has disorder","176035","2020-10-21","18:00:00",""
"7037773","17.5524","0.0003","19.8953","0.0004","25.3282","0.0005","90","","90","","90","","8844.9","0.3","110.05","0.1","110.05","0.1","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C50 H42.115 Cl2 F6.885 P3 Ru -","- C50 H42.115 Cl2 F6.885 P3 Ru -","- C400 H336.92 Cl16 F55.08 P24 Ru8 -","8","1","","Milner, Lucy M.; Hall, Lewis M.; Pridmore, Natalie E.; Skeats, Matthew K.; Whitwood, Adrian C.; Lynam, Jason M.; Slattery, John M.","Access to novel fluorovinylidene ligands via exploitation of outer-sphere electrophilic fluorination: new insights into C-F bond formation and activation.","Dalton transactions (Cambridge, England : 2003)","2016","45","4","1717","1726","10.1039/c5dt04596g","","x-ray","0.71073","MoKα","","0.0444","0.0318","","","0.073","0.0806","","","","","","1.049","","","","has coordinates,has disorder","176035","2020-10-21","18:00:00",""
"7037774","17.8473","0.0004","14.6795","0.0003","35.2252","0.0016","90","","90","","90","","9228.6","0.5","110.05","0.1","110.05","0.1","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C51 H42 B Cl2 F7 P2 Ru -","- C51 H42 B Cl2 F7 P2 Ru -","- C408 H336 B8 Cl16 F56 P16 Ru8 -","8","1","","Milner, Lucy M.; Hall, Lewis M.; Pridmore, Natalie E.; Skeats, Matthew K.; Whitwood, Adrian C.; Lynam, Jason M.; Slattery, John M.","Access to novel fluorovinylidene ligands via exploitation of outer-sphere electrophilic fluorination: new insights into C-F bond formation and activation.","Dalton transactions (Cambridge, England : 2003)","2016","45","4","1717","1726","10.1039/c5dt04596g","","x-ray","0.71073","MoKα","","0.0631","0.0471","","","0.0826","0.0896","","","","","","1.107","","","","has coordinates,has disorder","176035","2020-10-21","18:00:00",""
"7037775","11.68817","0.00016","16.2081","0.0002","21.9269","0.0003","90","","90","","90","","4153.9","0.1","110.05","0.1","110.05","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C47 H44 F7 P3 Ru -","- C47 H44 F7 P3 Ru -","- C188 H176 F28 P12 Ru4 -","4","1","","Milner, Lucy M.; Hall, Lewis M.; Pridmore, Natalie E.; Skeats, Matthew K.; Whitwood, Adrian C.; Lynam, Jason M.; Slattery, John M.","Access to novel fluorovinylidene ligands via exploitation of outer-sphere electrophilic fluorination: new insights into C-F bond formation and activation.","Dalton transactions (Cambridge, England : 2003)","2016","45","4","1717","1726","10.1039/c5dt04596g","","x-ray","0.71073","MoKα","","0.0245","0.0228","","","0.0524","0.0532","","","","","","1.07","","","","has coordinates,has disorder","176035","2020-10-21","18:00:00",""
"7037776","10.3433","0.0002","23.9394","0.0005","19.3083","0.0004","90","","98.805","0.002","90","","4724.63","0.17","110.05","0.1","110.05","0.1","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C55.5 H44 B Cl F7 N P2 Ru -","- C55.5 H44 B Cl F7 N P2 Ru -","- C222 H176 B4 Cl4 F28 N4 P8 Ru4 -","4","1","","Milner, Lucy M.; Hall, Lewis M.; Pridmore, Natalie E.; Skeats, Matthew K.; Whitwood, Adrian C.; Lynam, Jason M.; Slattery, John M.","Access to novel fluorovinylidene ligands via exploitation of outer-sphere electrophilic fluorination: new insights into C-F bond formation and activation.","Dalton transactions (Cambridge, England : 2003)","2016","45","4","1717","1726","10.1039/c5dt04596g","","x-ray","0.71073","MoKα","","0.0671","0.0434","","","0.0777","0.0862","","","","","","1.034","","","","has coordinates,has disorder","176035","2020-10-21","18:00:00",""
"7037777","11.6304","0.0005","13.5851","0.0007","15.1453","0.0009","72.589","0.005","89.929","0.004","79.01","0.004","2237.5","0.2","109.8","0.6","109.8","0.6","","","","","","","","7","P -1","-P 1","2","","","","- C54 H45 B F5 N P2 Ru -","- C54 H45 B F5 N P2 Ru -","- C108 H90 B2 F10 N2 P4 Ru2 -","2","1","","Milner, Lucy M.; Hall, Lewis M.; Pridmore, Natalie E.; Skeats, Matthew K.; Whitwood, Adrian C.; Lynam, Jason M.; Slattery, John M.","Access to novel fluorovinylidene ligands via exploitation of outer-sphere electrophilic fluorination: new insights into C-F bond formation and activation.","Dalton transactions (Cambridge, England : 2003)","2016","45","4","1717","1726","10.1039/c5dt04596g","","x-ray","0.71071","MoKα","","0.0474","0.0355","","","0.0769","0.0829","","","","","","1.033","","","","has coordinates,has disorder","176035","2020-10-21","18:00:00",""
"7037778","9.6081","0.0008","17.944","0.0007","21.3274","0.001","99.508","0.004","101.789","0.006","90.366","0.005","3546.9","0.4","110.05","0.1","110.05","0.1","","","","","","","","7","P -1","-P 1","2","","","","- C43.5 H36.5 B F4 N2.5 P Ru -","- C43.5 H36.5 B F4 N2.5 P Ru -","- C174 H146 B4 F16 N10 P4 Ru4 -","4","2","","Milner, Lucy M.; Hall, Lewis M.; Pridmore, Natalie E.; Skeats, Matthew K.; Whitwood, Adrian C.; Lynam, Jason M.; Slattery, John M.","Access to novel fluorovinylidene ligands via exploitation of outer-sphere electrophilic fluorination: new insights into C-F bond formation and activation.","Dalton transactions (Cambridge, England : 2003)","2016","45","4","1717","1726","10.1039/c5dt04596g","","x-ray","0.71073","MoKα","","0.0922","0.056","","","0.1396","0.1545","","","","","","0.951","","","","has coordinates","176035","2020-10-21","18:00:00",""
"7037805","8.396","0.007","15.783","0.013","14.403","0.012","90","","105.773","0.013","90","","1837","3","298","2","298","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C9 H21 Cl2 N3 O5 Ru S3 -","- C9 H21 Cl2 N3 O5 Ru S3 -","- C36 H84 Cl8 N12 O20 Ru4 S12 -","4","1","","Ferrer, Íngrid; Fontrodona, Xavier; Rodríguez, Montserrat; Romero, Isabel","Ru(ii)-dmso complexes containing azole-based ligands: synthesis, linkage isomerism and catalytic behaviour.","Dalton transactions (Cambridge, England : 2003)","2016","45","7","3163","3174","10.1039/c5dt04376j","","","0.71073","MoKα","","0.0259","0.0237","","","0.0608","0.0626","","","","","","1.056","","","","has coordinates","177770","2020-10-21","18:00:00",""
"7037806","12.493","0.006","13.943","0.007","16.522","0.006","90","","130.27","0.02","90","","2195.9","1.8","293","2","293","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C13 H25 Br Cl2 N2 O4 Ru S3 -","- C13 H23 Br Cl2 N2 O4 Ru S3 -","- C52 H92 Br4 Cl8 N8 O16 Ru4 S12 -","4","1","","Ferrer, Íngrid; Fontrodona, Xavier; Rodríguez, Montserrat; Romero, Isabel","Ru(ii)-dmso complexes containing azole-based ligands: synthesis, linkage isomerism and catalytic behaviour.","Dalton transactions (Cambridge, England : 2003)","2016","45","7","3163","3174","10.1039/c5dt04376j","","","0.71073","MoKα","","0.0524","0.0388","","","0.0983","0.105","","","","","","1.042","","","","has coordinates","177770","2020-10-21","18:00:00",""
"7037807","8.739","0.003","23.299","0.007","10.69","0.003","90","","93.393","0.006","90","","2172.8","1.2","298","2","298","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C10 H23 Cl2 F3 N2 O4 Ru S3 -","- C10 H21 Cl2 F3 N2 O3 Ru S3 -","- C40 H84 Cl8 F12 N8 O12 Ru4 S12 -","4","1","","Ferrer, Íngrid; Fontrodona, Xavier; Rodríguez, Montserrat; Romero, Isabel","Ru(ii)-dmso complexes containing azole-based ligands: synthesis, linkage isomerism and catalytic behaviour.","Dalton transactions (Cambridge, England : 2003)","2016","45","7","3163","3174","10.1039/c5dt04376j","","","0.71073","MoKα","","0.0342","0.0289","","","0.0691","0.0714","","","","","","1.048","","","","has coordinates,has disorder","177770","2020-10-21","18:00:00",""
"7037808","9.969","0.005","16.673","0.008","11.326","0.006","90","","96.414","0.007","90","","1870.7","1.6","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C11 H15 Cl5 N3 O Ru S -","- C11 H15 Cl5 N3 O Ru S -","- C44 H60 Cl20 N12 O4 Ru4 S4 -","4","1","","Ferrer, Íngrid; Fontrodona, Xavier; Rodríguez, Montserrat; Romero, Isabel","Ru(ii)-dmso complexes containing azole-based ligands: synthesis, linkage isomerism and catalytic behaviour.","Dalton transactions (Cambridge, England : 2003)","2016","45","7","3163","3174","10.1039/c5dt04376j","","","0.71073","MoKα","","0.0524","0.04","","","0.1022","0.1111","","","","","","1.024","","","","has coordinates,has disorder","177770","2020-10-21","18:00:00",""
"7037809","8.8684","0.0017","14.24","0.003","15.809","0.003","90","","102.331","0.003","90","","1950.4","0.7","298","2","298","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C10 H24 Cl2 N2 O3 Ru S3 -","- C10 H24 Cl2 N2 O3 Ru S3 -","- C40 H96 Cl8 N8 O12 Ru4 S12 -","4","1","","Ferrer, Íngrid; Fontrodona, Xavier; Rodríguez, Montserrat; Romero, Isabel","Ru(ii)-dmso complexes containing azole-based ligands: synthesis, linkage isomerism and catalytic behaviour.","Dalton transactions (Cambridge, England : 2003)","2016","45","7","3163","3174","10.1039/c5dt04376j","","","0.71073","MoKα","","0.0298","0.0256","","","0.0657","0.0681","","","","","","1.035","","","","has coordinates","177770","2020-10-21","18:00:00",""
"7037810","44.6369","0.0016","13.2659","0.0004","31.3491","0.001","90","","96.774","0.002","90","","18433.7","1","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C48.5 H95 Cl16 N4 O12.5 Pt9 Sn7 -","- C48.5 H95 Cl16 N4 O12.5 Pt9 Sn7 -","- C388 H760 Cl128 N32 O100 Pt72 Sn56 -","8","1","","Bortoluzzi, Marco; Ceriotti, Alessandro; Ciabatti, Iacopo; Della Pergola, Roberto; Femoni, Cristina; Carmela Iapalucci, Maria; Storione, Alba; Zacchini, Stefano","Platinum carbonyl clusters stabilized by Sn(ii)-based fragments: syntheses and structures of [Pt6(CO)6(SnCl2)2(SnCl3)4](4-), [Pt9(CO)8(SnCl2)3(SnCl3)2(Cl2SnOCOSnCl2)](4-) and [Pt10(CO)14{Cl2Sn(OH)SnCl2}2](2.).","Dalton transactions (Cambridge, England : 2003)","2016","45","12","5001","5013","10.1039/c5dt04696c","","","0.71073","MoKα","","0.0683","0.0417","","","0.0887","0.1032","","","","","","1.071","","","","has coordinates","181657","2020-10-21","18:00:00",""
"7037811","14.0022","0.0002","14.5742","0.0003","47.1561","0.0008","90","","92.275","0.001","90","","9615.6","0.3","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C80 H69 Cl12 O8 P3 Pt5 Sn6 -","- C80 H69 Cl12 O8 P3 Pt5 Sn6 -","- C320 H276 Cl48 O32 P12 Pt20 Sn24 -","4","1","","Bortoluzzi, Marco; Ceriotti, Alessandro; Ciabatti, Iacopo; Della Pergola, Roberto; Femoni, Cristina; Carmela Iapalucci, Maria; Storione, Alba; Zacchini, Stefano","Platinum carbonyl clusters stabilized by Sn(ii)-based fragments: syntheses and structures of [Pt6(CO)6(SnCl2)2(SnCl3)4](4-), [Pt9(CO)8(SnCl2)3(SnCl3)2(Cl2SnOCOSnCl2)](4-) and [Pt10(CO)14{Cl2Sn(OH)SnCl2}2](2.).","Dalton transactions (Cambridge, England : 2003)","2016","45","12","5001","5013","10.1039/c5dt04696c","","","0.71073","MoKα","","0.0591","0.0376","","","0.0667","0.0738","","","","","","1.063","","","","has coordinates","181657","2020-10-21","18:00:00",""
"7037812","29.225","0.005","14.528","0.003","27.19","0.005","90","","90","","90","","11544","4","291","2","291","2","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C92 H93 Cl12 O12 P3 Pt5 Sn6 -","- C92 H93 Cl12 O12 P3 Pt5 Sn6 -","- C368 H372 Cl48 O48 P12 Pt20 Sn24 -","4","1","","Bortoluzzi, Marco; Ceriotti, Alessandro; Ciabatti, Iacopo; Della Pergola, Roberto; Femoni, Cristina; Carmela Iapalucci, Maria; Storione, Alba; Zacchini, Stefano","Platinum carbonyl clusters stabilized by Sn(ii)-based fragments: syntheses and structures of [Pt6(CO)6(SnCl2)2(SnCl3)4](4-), [Pt9(CO)8(SnCl2)3(SnCl3)2(Cl2SnOCOSnCl2)](4-) and [Pt10(CO)14{Cl2Sn(OH)SnCl2}2](2.).","Dalton transactions (Cambridge, England : 2003)","2016","45","12","5001","5013","10.1039/c5dt04696c","","","0.71073","MoKα","","0.0886","0.0589","","","0.1303","0.1437","","","","","","1.009","","","","has coordinates","181657","2020-10-21","18:00:00",""
"7037813","13.2558","0.0012","15.6328","0.0014","18.5341","0.0017","69.384","0.005","69.584","0.005","85.05","0.005","3366","0.6","293","2","293","2","","","","","","","","8","P -1","-P 1","2","","","","- C114 H98 Cl16 N6 O6 P4 Pt6 Sn6 -","- C114 H98 Cl16 N6 O6 P4 Pt6 Sn6 -","- C114 H98 Cl16 N6 O6 P4 Pt6 Sn6 -","1","0.5","","Bortoluzzi, Marco; Ceriotti, Alessandro; Ciabatti, Iacopo; Della Pergola, Roberto; Femoni, Cristina; Carmela Iapalucci, Maria; Storione, Alba; Zacchini, Stefano","Platinum carbonyl clusters stabilized by Sn(ii)-based fragments: syntheses and structures of [Pt6(CO)6(SnCl2)2(SnCl3)4](4-), [Pt9(CO)8(SnCl2)3(SnCl3)2(Cl2SnOCOSnCl2)](4-) and [Pt10(CO)14{Cl2Sn(OH)SnCl2}2](2.).","Dalton transactions (Cambridge, England : 2003)","2016","45","12","5001","5013","10.1039/c5dt04696c","","","0.71073","MoKα","","0.0746","0.0511","","","0.1271","0.1421","","","","","","1.024","","","","has coordinates","181657","2020-10-21","18:00:00",""
"7037814","13.0696","0.0005","18.9114","0.0007","26.3812","0.001","90","","91.697","0.002","90","","6517.6","0.4","298","2","298","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C110 H92 Cl16 N4 O6 P4 Pt6 Sn6 -","- C110 H92 Cl16 N4 O6 P4 Pt6 Sn6 -","- C220 H184 Cl32 N8 O12 P8 Pt12 Sn12 -","2","0.5","","Bortoluzzi, Marco; Ceriotti, Alessandro; Ciabatti, Iacopo; Della Pergola, Roberto; Femoni, Cristina; Carmela Iapalucci, Maria; Storione, Alba; Zacchini, Stefano","Platinum carbonyl clusters stabilized by Sn(ii)-based fragments: syntheses and structures of [Pt6(CO)6(SnCl2)2(SnCl3)4](4-), [Pt9(CO)8(SnCl2)3(SnCl3)2(Cl2SnOCOSnCl2)](4-) and [Pt10(CO)14{Cl2Sn(OH)SnCl2}2](2.).","Dalton transactions (Cambridge, England : 2003)","2016","45","12","5001","5013","10.1039/c5dt04696c","","","0.71073","MoKα","","0.0702","0.0399","","","0.0855","0.1038","","","","","","1.084","","","","has coordinates","181657","2020-10-21","18:00:00",""
"7037815","13.707","0.007","28.016","0.014","17.266","0.009","90","","92.377","0.006","90","","6625","6","296","2","296","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C110 H92 Cl16 N4 O6 P4 Pt6 Sn6 -","- C110 H92 Cl16 N4 O6 P4 Pt6 Sn6 -","- C220 H184 Cl32 N8 O12 P8 Pt12 Sn12 -","2","0.5","","Bortoluzzi, Marco; Ceriotti, Alessandro; Ciabatti, Iacopo; Della Pergola, Roberto; Femoni, Cristina; Carmela Iapalucci, Maria; Storione, Alba; Zacchini, Stefano","Platinum carbonyl clusters stabilized by Sn(ii)-based fragments: syntheses and structures of [Pt6(CO)6(SnCl2)2(SnCl3)4](4-), [Pt9(CO)8(SnCl2)3(SnCl3)2(Cl2SnOCOSnCl2)](4-) and [Pt10(CO)14{Cl2Sn(OH)SnCl2}2](2.).","Dalton transactions (Cambridge, England : 2003)","2016","45","12","5001","5013","10.1039/c5dt04696c","","","0.71073","MoKα","","0.0493","0.0383","","","0.0959","0.1019","","","","","","1.053","","","","has coordinates","181657","2020-10-21","18:00:00",""
"7037816","12.596","0.004","18.116","0.005","20.422","0.006","90","","103.388","0.003","90","","4533","2","293","2","293","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C70 H58 Cl8 O18 P2 Pt10 Sn4 -","- C70 H58 Cl8 O18 P2 Pt10 Sn4 -","- C140 H116 Cl16 O36 P4 Pt20 Sn8 -","2","0.5","","Bortoluzzi, Marco; Ceriotti, Alessandro; Ciabatti, Iacopo; Della Pergola, Roberto; Femoni, Cristina; Carmela Iapalucci, Maria; Storione, Alba; Zacchini, Stefano","Platinum carbonyl clusters stabilized by Sn(ii)-based fragments: syntheses and structures of [Pt6(CO)6(SnCl2)2(SnCl3)4](4-), [Pt9(CO)8(SnCl2)3(SnCl3)2(Cl2SnOCOSnCl2)](4-) and [Pt10(CO)14{Cl2Sn(OH)SnCl2}2](2.).","Dalton transactions (Cambridge, England : 2003)","2016","45","12","5001","5013","10.1039/c5dt04696c","","","0.71073","MoKα","","0.1667","0.0997","","","0.2465","0.313","","","","","","1.049","","","","has coordinates","181657","2020-10-21","18:00:00",""
"7037817","20.3822","0.0007","14.5461","0.0005","26.2602","0.0011","90","","112.334","0.002","90","","7201.6","0.5","293","2","293","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C54 H52 Cl14 O2 P2 Pt Sn5 -","- C54 H52 Cl14 O2 P2 Pt Sn5 -","- C216 H208 Cl56 O8 P8 Pt4 Sn20 -","4","0.5","","Bortoluzzi, Marco; Ceriotti, Alessandro; Ciabatti, Iacopo; Della Pergola, Roberto; Femoni, Cristina; Carmela Iapalucci, Maria; Storione, Alba; Zacchini, Stefano","Platinum carbonyl clusters stabilized by Sn(ii)-based fragments: syntheses and structures of [Pt6(CO)6(SnCl2)2(SnCl3)4](4-), [Pt9(CO)8(SnCl2)3(SnCl3)2(Cl2SnOCOSnCl2)](4-) and [Pt10(CO)14{Cl2Sn(OH)SnCl2}2](2.).","Dalton transactions (Cambridge, England : 2003)","2016","45","12","5001","5013","10.1039/c5dt04696c","","","0.71073","MoKα","","0.0741","0.0472","","","0.1013","0.1129","","","","","","1.076","","","","has coordinates","181657","2020-10-21","18:00:00",""
"7037818","12.5131","0.0006","12.58","0.0006","15.4397","0.0007","70.315","0.001","74.862","0.002","71.875","0.002","2141.39","0.18","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C79 H92 Eu2 N18 O27 -","- C79 H92 Eu2 N18 O27 -","- C79 H92 Eu2 N18 O27 -","1","0.5","","Ren, Min; Xu, Zhong-Li; Bao, Song-Song; Wang, Ting-Ting; Zheng, Ze-Hua; Ferreira, Rute A. S.; Zheng, Li-Min; Carlos, Luis D.","Lanthanide salen-type complexes exhibiting single ion magnet and photoluminescent properties.","Dalton transactions (Cambridge, England : 2003)","2016","45","7","2974","2982","10.1039/c5dt03897a","","","0.71073","MoKα","","0.0811","0.049","","","0.1046","0.1179","","","","","","1.023","","","","has coordinates","177780","2020-10-21","18:00:00",""
"7037819","12.427","0.008","12.703","0.008","15.553","0.01","70.024","0.011","75.363","0.011","72.03","0.011","2165","2","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C39 H45 N9 O13.5 Tb -","- C39 H45 N9 O13.5 Tb -","- C78 H90 N18 O27 Tb2 -","2","1","","Ren, Min; Xu, Zhong-Li; Bao, Song-Song; Wang, Ting-Ting; Zheng, Ze-Hua; Ferreira, Rute A. S.; Zheng, Li-Min; Carlos, Luis D.","Lanthanide salen-type complexes exhibiting single ion magnet and photoluminescent properties.","Dalton transactions (Cambridge, England : 2003)","2016","45","7","2974","2982","10.1039/c5dt03897a","","","0.71073","MoKα","","0.0517","0.0378","","","0.086","0.0926","","","","","","0.995","","","","has coordinates,has disorder","177780","2020-10-21","18:00:00",""
"7037820","12.4","0.004","12.692","0.004","15.776","0.005","69.934","0.005","75.538","0.005","72.017","0.005","2189.3","1.2","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C38 H42 Dy N9 O13 -","- C38 H42 Dy N9 O13 -","- C76 H84 Dy2 N18 O26 -","2","1","","Ren, Min; Xu, Zhong-Li; Bao, Song-Song; Wang, Ting-Ting; Zheng, Ze-Hua; Ferreira, Rute A. S.; Zheng, Li-Min; Carlos, Luis D.","Lanthanide salen-type complexes exhibiting single ion magnet and photoluminescent properties.","Dalton transactions (Cambridge, England : 2003)","2016","45","7","2974","2982","10.1039/c5dt03897a","","","0.71073","MoKα","","0.1047","0.0679","","","0.1573","0.1803","","","","","","0.995","","","","has coordinates,has disorder","177780","2020-10-21","18:00:00",""
"7037821","12.4153","0.0007","12.7506","0.0007","15.6649","0.0009","70.085","0.0009","75.2677","0.001","71.7208","0.001","2183.4","0.2","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C39 H45 Ho N9 O13.5 -","- C39 H45 Ho N9 O13.5 -","- C78 H90 Ho2 N18 O27 -","2","1","","Ren, Min; Xu, Zhong-Li; Bao, Song-Song; Wang, Ting-Ting; Zheng, Ze-Hua; Ferreira, Rute A. S.; Zheng, Li-Min; Carlos, Luis D.","Lanthanide salen-type complexes exhibiting single ion magnet and photoluminescent properties.","Dalton transactions (Cambridge, England : 2003)","2016","45","7","2974","2982","10.1039/c5dt03897a","","","0.71073","MoKα","","0.0534","0.0382","","","0.0854","0.0925","","","","","","1.003","","","","has coordinates,has disorder","177780","2020-10-21","18:00:00",""
"7037822","12.349","0.008","12.659","0.008","15.668","0.01","69.829","0.009","75.214","0.01","71.612","0.01","2152","2","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C76 H86 Er2 N18 O27 -","- C76 H80 Er2 N18 O27 -","- C76 H80 Er2 N18 O27 -","1","0.5","","Ren, Min; Xu, Zhong-Li; Bao, Song-Song; Wang, Ting-Ting; Zheng, Ze-Hua; Ferreira, Rute A. S.; Zheng, Li-Min; Carlos, Luis D.","Lanthanide salen-type complexes exhibiting single ion magnet and photoluminescent properties.","Dalton transactions (Cambridge, England : 2003)","2016","45","7","2974","2982","10.1039/c5dt03897a","","","0.71073","MoKα","","0.0746","0.0499","","","0.1146","0.1277","","","","","","1.016","","","","has coordinates,has disorder","177780","2020-10-21","18:00:00",""
"7037823","19.756","0.011","10.922","0.006","10.065","0.005","90","","92.043","0.007","90","","2170","2","93","2","93","2","","","","","","","","3","C 1 2 1","C 2y","5","","","","- C60 H40 P2 -","- C60 H40 P2 -","- C120 H80 P4 -","2","0.5","","Son, Changsu; Inagaki, Akiko","Synthesis and photocatalytic activity of a naphthyl-substituted photosensitizing BINAP-palladium complex.","Dalton transactions (Cambridge, England : 2003)","2016","45","4","1331","1334","10.1039/c5dt04228c","","","0.71075","MoKα","","0.0395","0.0383","","","0.1018","0.103","","","","","","1.056","","","","has coordinates","176021","2020-10-21","18:00:00",""
"7037824","16.1474","0.0007","28.4487","0.0012","26.504","0.0009","90","","90","","90","","12175.2","0.8","100","2","100","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C116 H195 N14 O20.5 P4 -","- C116 H195 N14 O20.5 P4 -","- C464 H780 N56 O82 P16 -","4","1","","Casula, Arianna; Bazzicalupi, Carla; Bettoschi, Alexandre; Cadoni, Enzo; Coles, Simon J.; Horton, Peter N.; Isaia, Francesco; Lippolis, Vito; Mapp, Lucy K.; Marini, Giada M.; Montis, Riccardo; Scorciapino, Mariano Andrea; Caltagirone, Claudia","Fluorescent asymmetric bis-ureas for pyrophosphate recognition in pure water.","Dalton transactions (Cambridge, England : 2003)","2016","45","7","3078","3085","10.1039/c5dt04497a","","x-ray","0.71075","MoKα","","0.0602","0.0511","","","0.1288","0.1355","","","","","","1.039","","","","has coordinates,has disorder","177784","2020-10-21","18:00:00",""
"7037825","22.394","0.012","16.369","0.008","17.539","0.01","90","","90","","90","","6429","6","100","2","100.15","","","","","","","","","5","P b a n","-P 2ab 2b","50","","Ac20_5","","- C58 H95 N7 O9 P2 -","- C58 H95 N7 O9 P2 -","- C232 H380 N28 O36 P8 -","4","","","Casula, Arianna; Bazzicalupi, Carla; Bettoschi, Alexandre; Cadoni, Enzo; Coles, Simon J.; Horton, Peter N.; Isaia, Francesco; Lippolis, Vito; Mapp, Lucy K.; Marini, Giada M.; Montis, Riccardo; Scorciapino, Mariano Andrea; Caltagirone, Claudia","Fluorescent asymmetric bis-ureas for pyrophosphate recognition in pure water.","Dalton transactions (Cambridge, England : 2003)","2016","45","7","3078","3085","10.1039/c5dt04497a","","x-ray","0.71075","MoKα","","0.1566","0.0839","","","0.2651","0.3026","","","","","","1.043","","","","has coordinates,has disorder","177784","2020-10-21","18:00:00",""
"7037826","8.8412","0.0007","10.2994","0.0007","14.6904","0.0011","90.46","0.003","102.3","0.003","111.703","0.003","1208.78","0.16","100","0.2","100","0.2","","","","","","","","3","P -1","-P 1","2","","","","- C29 H36 N2 -","- C29 H36 N2 -","- C58 H72 N4 -","2","1","","Roselló-Merino, Marta; Mansell, Stephen M.","Synthesis and reactivity of fluorenyl-tethered N-heterocyclic stannylenes.","Dalton transactions (Cambridge, England : 2003)","2016","45","14","6282","6293","10.1039/c5dt04060d","","","0.71073","MoKα","","0.06","0.0444","","","0.1143","0.1237","","","","","","1.025","","","","has coordinates","181725","2020-10-21","18:00:00",""
"7037827","11.0999","0.0006","7.4994","0.0004","28.9734","0.0015","90","","100.948","0.002","90","","2367.9","0.2","100","2","100","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C29 H36 N2 -","- C29 H36 N2 -","- C116 H144 N8 -","4","1","","Roselló-Merino, Marta; Mansell, Stephen M.","Synthesis and reactivity of fluorenyl-tethered N-heterocyclic stannylenes.","Dalton transactions (Cambridge, England : 2003)","2016","45","14","6282","6293","10.1039/c5dt04060d","","","0.71073","MoKα","","0.0826","0.0544","","","0.1131","0.1244","","","","","","1.06","","","","has coordinates","181725","2020-10-21","18:00:00",""
"7037828","34.733","0.003","5.8657","0.0005","19.4635","0.0017","90","","106.437","0.004","90","","3803.3","0.6","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C168 H245 Cl N16 O10 -","- C168 H245 Cl N16 O10 -","- C168 H245 Cl N16 O10 -","1","0.125","","Roselló-Merino, Marta; Mansell, Stephen M.","Synthesis and reactivity of fluorenyl-tethered N-heterocyclic stannylenes.","Dalton transactions (Cambridge, England : 2003)","2016","45","14","6282","6293","10.1039/c5dt04060d","","","0.71073","MoKα","","0.0733","0.0493","","","0.1077","0.1171","","","","","","1.049","","","","has coordinates,has disorder","181725","2020-10-21","18:00:00",""
"7037829","11.8817","0.0017","13.807","0.002","23.091","0.003","90","","97.086","0.007","90","","3759.2","0.9","100","2","100.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C44 H35 D15 Li N2 -","- C44 H35 D15 Li N2 -","- C176 H140 D60 Li4 N8 -","4","1","","Roselló-Merino, Marta; Mansell, Stephen M.","Synthesis and reactivity of fluorenyl-tethered N-heterocyclic stannylenes.","Dalton transactions (Cambridge, England : 2003)","2016","45","14","6282","6293","10.1039/c5dt04060d","","","0.71073","MoKα","","0.0683","0.0422","","","0.0956","0.1074","","","","","","1.011","","","","has coordinates","181725","2020-10-21","18:00:00",""
"7037830","10.7998","0.0004","17.2527","0.0007","29.5233","0.0012","90","","98.884","0.002","90","","5435","0.4","100","2","100","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C62 H68 D8 N4 O Sn2 -","- C62 H68 D8 N4 O Sn2 -","- C248 H272 D32 N16 O4 Sn8 -","4","1","","Roselló-Merino, Marta; Mansell, Stephen M.","Synthesis and reactivity of fluorenyl-tethered N-heterocyclic stannylenes.","Dalton transactions (Cambridge, England : 2003)","2016","45","14","6282","6293","10.1039/c5dt04060d","","","0.71073","MoKα","","0.1021","0.0803","","","0.1346","0.1411","","","","","","1.26","","","","has coordinates","181725","2020-10-21","18:00:00",""
"7037831","10.0025","0.0004","26.2852","0.0011","16.4291","0.0006","90","","97.9963","0.0016","90","","4277.5","0.3","100","2","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C90 H130 Li2 N4 O8 Sn2 -","- C90 H130 Li2 N4 O8 Sn2 -","- C180 H260 Li4 N8 O16 Sn4 -","2","0.5","","Roselló-Merino, Marta; Mansell, Stephen M.","Synthesis and reactivity of fluorenyl-tethered N-heterocyclic stannylenes.","Dalton transactions (Cambridge, England : 2003)","2016","45","14","6282","6293","10.1039/c5dt04060d","","","0.71073","MoKα","","0.0535","0.0344","","","0.0626","0.0678","","","","","","1.052","","","","has coordinates,has disorder","181725","2020-10-21","18:00:00",""
"7037832","9.1513","0.0004","10.3881","0.0004","18.6509","0.0008","74.3931","0.0017","87.7389","0.0018","64.9866","0.0017","1541.89","0.11","100","2","100","","","","","","","","","4","P -1","-P 1","2","","","","- C37 H47 N2 Rh -","- C37 H47 N2 Rh -","- C74 H94 N4 Rh2 -","2","1","","Roselló-Merino, Marta; Mansell, Stephen M.","Synthesis and reactivity of fluorenyl-tethered N-heterocyclic stannylenes.","Dalton transactions (Cambridge, England : 2003)","2016","45","14","6282","6293","10.1039/c5dt04060d","","","0.71073","MoKα","","0.0394","0.0295","","","0.061","0.0645","","","","","","1.064","","","","has coordinates,has disorder","181725","2020-10-21","18:00:00",""
"7037833","11.7571","0.0009","6.1328","0.0005","15.8273","0.0012","90","","96.17","0.004","90","","1134.6","0.15","100","2","100","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C21 H34 Cl2 N2 O2 -","- C21 H34 Cl2 N2 O2 -","- C42 H68 Cl4 N4 O4 -","2","1","","Roselló-Merino, Marta; Mansell, Stephen M.","Synthesis and reactivity of fluorenyl-tethered N-heterocyclic stannylenes.","Dalton transactions (Cambridge, England : 2003)","2016","45","14","6282","6293","10.1039/c5dt04060d","","","0.71073","MoKα","","0.0552","0.0404","","","0.0805","0.0866","","","","","","1.034","","","","has coordinates","181725","2020-10-21","18:00:00",""
"7037834","8.63","0.0008","30.633","0.003","11.9259","0.001","90","","101.213","0.005","90","","3092.6","0.5","100","2","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C74 H90 N4 Rh2 Sn2 -","- C74 H90 N4 Rh2 Sn2 -","- C148 H180 N8 Rh4 Sn4 -","2","0.5","","Roselló-Merino, Marta; Mansell, Stephen M.","Synthesis and reactivity of fluorenyl-tethered N-heterocyclic stannylenes.","Dalton transactions (Cambridge, England : 2003)","2016","45","14","6282","6293","10.1039/c5dt04060d","","","0.71073","MoKα","","0.1663","0.1046","","","0.238","0.2656","","","","","","1.11","","","","has coordinates","181725","2020-10-21","18:00:00",""
"7037835","9.9382","0.0004","12.7219","0.0005","18.5759","0.0008","87.507","0.002","88.869","0.002","82.265","0.002","2324.8","0.17","100","","100.03","","","","","","","","","8","P -1","-P 1","2","","","","- C91 H78 Ag B3 Cl6 F14 N16 Ru4 -","- C90.9992 H77.9984 Ag B3 Cl5.9984 F14 N16 Ru4 -","- C90.9992 H77.9984 Ag B3 Cl5.9984 F14 N16 Ru4 -","1","0.5","","Corcos, Amanda R.; Berry, John F.","Capturing the missing [AgF2](-) anion within an Ru2(iii/iii) dimeric dumbbell complex.","Dalton transactions (Cambridge, England : 2003)","2016","45","6","2386","2389","10.1039/c5dt04875c","","x-ray","0.71073","MoKα","","0.0411","0.033","","","0.0786","0.0823","","","","","","1.094","","","","has coordinates,has disorder","177820","2020-10-21","18:00:00",""
"7037836","17.214","0.009","10.277","0.005","12.324","0.006","90","","100.177","0.006","90","","2145.9","1.9","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","compound 1","","- C12 H22 Fe2 O4 P2 S3 -","- C12 H22 Fe2 O4 P2 S3 -","- C48 H88 Fe8 O16 P8 S12 -","4","0.5","","Song, Li-Cheng; Zhu, An-Guo; Guo, Yuan-Qiang","Synthesis, characterization, and H/D exchange of μ-hydride-containing [FeFe]-hydrogenase subsite models formed by protonation reactions of (μ-TDT)Fe2(CO)4(PMe3)2 (TDT = SCH2SCH2S) with protic acids.","Dalton transactions (Cambridge, England : 2003)","2016","45","12","5021","5029","10.1039/c5dt04297f","","","0.71073","MoKα","","0.0357","0.0315","","","0.0849","0.0867","","","","","","1.094","","","","has coordinates,has disorder","181679","2020-10-21","18:00:00",""
"7037837","13.1779","0.0005","8.7547","0.0003","20.2242","0.0007","90","","103.377","0.001","90","","2269.93","0.14","173","2","173","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","compound 3","","- C12 H23 Cl Fe2 O8 P2 S3 -","- C12 H23 Cl Fe2 O8 P2 S3 -","- C48 H92 Cl4 Fe8 O32 P8 S12 -","4","1","","Song, Li-Cheng; Zhu, An-Guo; Guo, Yuan-Qiang","Synthesis, characterization, and H/D exchange of μ-hydride-containing [FeFe]-hydrogenase subsite models formed by protonation reactions of (μ-TDT)Fe2(CO)4(PMe3)2 (TDT = SCH2SCH2S) with protic acids.","Dalton transactions (Cambridge, England : 2003)","2016","45","12","5021","5029","10.1039/c5dt04297f","","","0.71073","MoKα","","0.0295","0.0244","","","0.0558","0.0582","","","","","","1.072","","","","has coordinates","181679","2020-10-21","18:00:00",""
"7037838","20.742","0.003","8.9084","0.0011","13.7249","0.0017","90","","103.04","0.002","90","","2470.7","0.6","293","2","293","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C12 H23 F6 Fe2 O4 P3 S3 -","- C12 H23 F6 Fe2 O4 P3 S3 -","- C48 H92 F24 Fe8 O16 P12 S12 -","4","0.5","","Song, Li-Cheng; Zhu, An-Guo; Guo, Yuan-Qiang","Synthesis, characterization, and H/D exchange of μ-hydride-containing [FeFe]-hydrogenase subsite models formed by protonation reactions of (μ-TDT)Fe2(CO)4(PMe3)2 (TDT = SCH2SCH2S) with protic acids.","Dalton transactions (Cambridge, England : 2003)","2016","45","12","5021","5029","10.1039/c5dt04297f","","","0.71073","MoKα","","0.0461","0.0404","","","0.1101","0.1141","","","","","","1.052","","","","has coordinates,has disorder","181679","2020-10-21","18:00:00",""
"7037839","13.2814","0.0007","17.4609","0.0009","21.0295","0.0009","90","","111.97","0.003","90","","4522.7","0.4","296","2","296","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","compound 5","","- C12 H23 B F4 Fe2 O4 P2 S3 -","- C12 H23 B F4 Fe2 O4 P2 S3 -","- C96 H184 B8 F32 Fe16 O32 P16 S24 -","8","2","","Song, Li-Cheng; Zhu, An-Guo; Guo, Yuan-Qiang","Synthesis, characterization, and H/D exchange of μ-hydride-containing [FeFe]-hydrogenase subsite models formed by protonation reactions of (μ-TDT)Fe2(CO)4(PMe3)2 (TDT = SCH2SCH2S) with protic acids.","Dalton transactions (Cambridge, England : 2003)","2016","45","12","5021","5029","10.1039/c5dt04297f","","","0.71073","MoKα","","0.0853","0.0669","","","0.1693","0.1865","","","","","","0.925","","","","has coordinates,has disorder","181679","2020-10-21","18:00:00",""
"7037840","11.214","0.002","18.025","0.004","13.72","0.003","90","","112.3","0.03","90","","2565.8","1.1","293","2","293","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","compound 8","","- C13 H22 D F3 Fe2 O7 P2 S4 -","- C13 H22 D F3 Fe2 O7 P2 S4 -","- C52 H88 D4 F12 Fe8 O28 P8 S16 -","4","1","","Song, Li-Cheng; Zhu, An-Guo; Guo, Yuan-Qiang","Synthesis, characterization, and H/D exchange of μ-hydride-containing [FeFe]-hydrogenase subsite models formed by protonation reactions of (μ-TDT)Fe2(CO)4(PMe3)2 (TDT = SCH2SCH2S) with protic acids.","Dalton transactions (Cambridge, England : 2003)","2016","45","12","5021","5029","10.1039/c5dt04297f","","","0.71073","MoKα","","0.0797","0.0624","","","0.1703","0.1845","","","","","","1.096","","","","has coordinates","181679","2020-10-21","18:00:00",""
"7037841","35.628","0.004","35.628","0.004","10.4061","0.001","90","","90","","120","","11439","2","149","2","149","2","","","","","","","","6","R 3 :H","R 3","146","","","","- C53 H61 N2 O2 P3 Ru -","- C53 H61 N2 O2 P3 Ru -","- C477 H549 N18 O18 P27 Ru9 -","9","1","","Mosaferi, Eliar; Pan, Li; Wang, Tongen; Sun, Yunshan; Pranckevicius, Conor; Stephan, Douglas W.","Preparation and reactivity of a Ru(0) phosphino-carbene complex.","Dalton transactions (Cambridge, England : 2003)","2016","45","4","1354","1358","10.1039/c5dt04337a","","","0.71073","MoKα","","0.1195","0.0679","","","0.12","0.1342","","","","","","0.935","","","","has coordinates,has disorder","176007","2020-10-21","18:00:00",""
"7037842","11.5609","0.0008","28.1621","0.0019","23.5527","0.0015","90","","90.842","0.003","90","","7667.4","0.9","149","","149.31","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C59.5 H106 Cl4 N8 O2 P4 Ru2 -","- C59.5 H106 Cl4 N8 O2 P4 Ru2 -","- C238 H424 Cl16 N32 O8 P16 Ru8 -","4","1","","Mosaferi, Eliar; Pan, Li; Wang, Tongen; Sun, Yunshan; Pranckevicius, Conor; Stephan, Douglas W.","Preparation and reactivity of a Ru(0) phosphino-carbene complex.","Dalton transactions (Cambridge, England : 2003)","2016","45","4","1354","1358","10.1039/c5dt04337a","","","0.71073","MoKα","","0.124","0.062","","","0.1521","0.1804","","","","","","1.0441","","","","has coordinates","206162","2020-10-21","18:00:00",""
"7037843","10.1203","0.0004","11.7277","0.0005","20.6158","0.0009","102.745","0.002","99.465","0.002","92.991","0.002","2344.1","0.17","150","2","150","","","","","","","","","8","P -1","-P 1","2","","","","- C50 H56 Cl2 N2 O P2 Ru Si -","- C50 H56 Cl2 N2 O P2 Ru Si -","- C100 H112 Cl4 N4 O2 P4 Ru2 Si2 -","2","1","","Mosaferi, Eliar; Pan, Li; Wang, Tongen; Sun, Yunshan; Pranckevicius, Conor; Stephan, Douglas W.","Preparation and reactivity of a Ru(0) phosphino-carbene complex.","Dalton transactions (Cambridge, England : 2003)","2016","45","4","1354","1358","10.1039/c5dt04337a","","","0.71073","MoKα","","0.0352","0.031","","","0.0827","0.0858","","","","","","1.049","","","","has coordinates","176007","2020-10-21","18:00:00",""
"7037844","14.81","0.0008","17.607","0.001","16.9584","0.0009","90","","106.458","0.003","90","","4240.9","0.4","150","2","150.01","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C43 H50 N2 O P2 Ru Si -","- C43 H50 N2 O P2 Ru Si -","- C172 H200 N8 O4 P8 Ru4 Si4 -","4","1","","Mosaferi, Eliar; Pan, Li; Wang, Tongen; Sun, Yunshan; Pranckevicius, Conor; Stephan, Douglas W.","Preparation and reactivity of a Ru(0) phosphino-carbene complex.","Dalton transactions (Cambridge, England : 2003)","2016","45","4","1354","1358","10.1039/c5dt04337a","","","0.71073","MoKα","","0.0718","0.0413","","","0.0792","0.0861","","","","","","0.97","","","","has coordinates","176007","2020-10-21","18:00:00",""
"7037845","14.014","0.003","31.074","0.006","21.818","0.004","90","","90.39","0.03","90","","9501","3","150","2","150","2","","","","","","","","7","P 1 n 1","P -2yac","7","","","","- C52.5 H102.75 B6 Cu10 F24 N18.25 S8 -","- C52.5 H102.75 B6 Cu10 F24 N18.25 S8 -","- C210 H411 B24 Cu40 F96 N73 S32 -","4","2","","Ferrara, Skylar J.; Wang, Bo; Donahue, James P.","An S4-symmetric mixed-valent decacopper cage comprised of [Cu(II)(L-S2N2)] complexes bridged by Cu(I)(MeCN)n (n = 1 or 2) cations.","Dalton transactions (Cambridge, England : 2003)","2016","45","7","2997","3002","10.1039/c5dt04359j","","","0.71073","MoKα","","0.0798","0.075","","","0.1671","0.1691","","","","","","1.136","","","","has coordinates,has disorder","177773","2020-10-21","18:00:00",""
"7037846","7.581","0.003","6.325","0.003","7.891","0.004","90","","107.344","0.005","90","","361.2","0.3","153","2","153","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C4 H4 N8 O2 -","- C4 H4 N8 O2 -","- C8 H8 N16 O4 -","2","0.5","","Zhu, Jiaping; Jin, Shaohua; Wan, Li; Zhang, Chunyuan; Li, Lijie; Chen, Shusen; Shu, Qinghai","Nitrogen-rich 4,4'-azo bis(1,2,4-triazolone) salts-the synthesis and promising properties of a new family of high-density insensitive materials.","Dalton transactions (Cambridge, England : 2003)","2016","45","8","3590","3598","10.1039/c5dt04731e","","","0.71073","MoKα","","0.0484","0.0392","","","0.0968","0.104","","","","","","1.003","","","","has coordinates","177833","2020-10-21","18:00:00",""
"7037847","19.421","0.015","6.514","0.005","15.382","0.012","90","","93.234","0.016","90","","1943","3","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C4 H7 N8 Na O4 -","- C4 H7 N8 Na O4 -","- C32 H56 N64 Na8 O32 -","8","1","","Zhu, Jiaping; Jin, Shaohua; Wan, Li; Zhang, Chunyuan; Li, Lijie; Chen, Shusen; Shu, Qinghai","Nitrogen-rich 4,4'-azo bis(1,2,4-triazolone) salts-the synthesis and promising properties of a new family of high-density insensitive materials.","Dalton transactions (Cambridge, England : 2003)","2016","45","8","3590","3598","10.1039/c5dt04731e","","","0.71073","MoKα","","0.0779","0.0631","","","0.1552","0.166","","","","","","1.091","","","","has coordinates","177833","2020-10-21","18:00:00",""
"7037848","7.7212","0.0005","8.2866","0.0005","8.3755","0.0005","62.684","0.001","71.571","0.001","83.253","0.001","451.47","0.05","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C4 H8 N10 O2 -","- C4 H8 N10 O2 -","- C8 H16 N20 O4 -","2","1","","Zhu, Jiaping; Jin, Shaohua; Wan, Li; Zhang, Chunyuan; Li, Lijie; Chen, Shusen; Shu, Qinghai","Nitrogen-rich 4,4'-azo bis(1,2,4-triazolone) salts-the synthesis and promising properties of a new family of high-density insensitive materials.","Dalton transactions (Cambridge, England : 2003)","2016","45","8","3590","3598","10.1039/c5dt04731e","","","0.71073","MoKα","","0.0398","0.0359","","","0.0962","0.0998","","","","","","1.048","","","","has coordinates","177833","2020-10-21","18:00:00",""
"7037849","7.6249","0.0018","7.846","0.0016","11.723","0.003","70.52","0.008","85.079","0.01","64.007","0.007","592.8","0.2","153","2","153","2","","","","","","","","5","P -1","-P 1","2","","","","- C8 H20 Ba2 N16 O12 -","- C8 H20 Ba2 N16 O12 -","- C8 H20 Ba2 N16 O12 -","1","0.5","","Zhu, Jiaping; Jin, Shaohua; Wan, Li; Zhang, Chunyuan; Li, Lijie; Chen, Shusen; Shu, Qinghai","Nitrogen-rich 4,4'-azo bis(1,2,4-triazolone) salts-the synthesis and promising properties of a new family of high-density insensitive materials.","Dalton transactions (Cambridge, England : 2003)","2016","45","8","3590","3598","10.1039/c5dt04731e","","","0.71073","MoKα","","0.037","0.0333","","","0.0658","0.068","","","","","","1.09","","","","has coordinates","177833","2020-10-21","18:00:00",""
"7037850","6.772","0.002","13.756","0.005","10.34","0.004","90","","90","","90","","963.2","0.6","153","2","153","2","","","","","","","","5","P n n a","-P 2a 2bc","52","","","","- C4 H3 Cs N8 O3 -","- C4 H3 Cs N8 O3 -","- C16 H12 Cs4 N32 O12 -","4","0.5","","Zhu, Jiaping; Jin, Shaohua; Wan, Li; Zhang, Chunyuan; Li, Lijie; Chen, Shusen; Shu, Qinghai","Nitrogen-rich 4,4'-azo bis(1,2,4-triazolone) salts-the synthesis and promising properties of a new family of high-density insensitive materials.","Dalton transactions (Cambridge, England : 2003)","2016","45","8","3590","3598","10.1039/c5dt04731e","","","0.71073","MoKα","","0.0619","0.0568","","","0.0863","0.0881","","","","","","1.401","","","","has coordinates","177833","2020-10-21","18:00:00",""
"7037851","14.345","0.004","10.332","0.003","12.6","0.004","90","","96.748","0.003","90","","1854.5","1","153","2","153","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C4 H5 K N8 O8 -","- C4 H5 K N8 O3 -","- C32 H40 K8 N64 O24 -","8","2","","Zhu, Jiaping; Jin, Shaohua; Wan, Li; Zhang, Chunyuan; Li, Lijie; Chen, Shusen; Shu, Qinghai","Nitrogen-rich 4,4'-azo bis(1,2,4-triazolone) salts-the synthesis and promising properties of a new family of high-density insensitive materials.","Dalton transactions (Cambridge, England : 2003)","2016","45","8","3590","3598","10.1039/c5dt04731e","","","0.71073","MoKα","","0.0715","0.0545","","","0.1269","0.1374","","","","","","1.155","","","","has coordinates","187017","2020-10-21","18:00:00",""
"7037852","19.528","0.005","10.445","0.003","12.557","0.003","90","","110.294","0.002","90","","2402.3","1.1","153","2","153","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C8 H26 Mg N16 O14 -","- C8 H26 Mg N16 O14 -","- C32 H104 Mg4 N64 O56 -","4","0.5","","Zhu, Jiaping; Jin, Shaohua; Wan, Li; Zhang, Chunyuan; Li, Lijie; Chen, Shusen; Shu, Qinghai","Nitrogen-rich 4,4'-azo bis(1,2,4-triazolone) salts-the synthesis and promising properties of a new family of high-density insensitive materials.","Dalton transactions (Cambridge, England : 2003)","2016","45","8","3590","3598","10.1039/c5dt04731e","","","0.71073","MoKα","","0.0547","0.0387","","","0.0932","0.1014","","","","","","1.002","","","","has coordinates","198632","2020-10-21","18:00:00",""
"7037853","7.555","0.003","7.692","0.003","11.022","0.005","75.555","0.015","87.243","0.016","61.775","0.012","544.7","0.4","153","2","153","2","","","","","","","","5","P -1","-P 1","2","","","","- C8 H20 Ca2 N16 O12 -","- C8 H20 Ca2 N16 O12 -","- C8 H20 Ca2 N16 O12 -","1","0.5","","Zhu, Jiaping; Jin, Shaohua; Wan, Li; Zhang, Chunyuan; Li, Lijie; Chen, Shusen; Shu, Qinghai","Nitrogen-rich 4,4'-azo bis(1,2,4-triazolone) salts-the synthesis and promising properties of a new family of high-density insensitive materials.","Dalton transactions (Cambridge, England : 2003)","2016","45","8","3590","3598","10.1039/c5dt04731e","","","0.71073","MoKα","","0.1105","0.0801","","","0.2191","0.2421","","","","","","0.842","","","","has coordinates","177833","2020-10-21","18:00:00",""
"7037854","7.603","0.003","7.714","0.002","11.324","0.004","73.482","0.016","86.381","0.018","63.029","0.009","565.8","0.3","153","2","153","2","","","","","","","","5","P -1","-P 1","2","","","","- C4 H10 N8 O6 Sr -","- C4 H10 N8 O6 Sr -","- C8 H20 N16 O12 Sr2 -","2","1","","Zhu, Jiaping; Jin, Shaohua; Wan, Li; Zhang, Chunyuan; Li, Lijie; Chen, Shusen; Shu, Qinghai","Nitrogen-rich 4,4'-azo bis(1,2,4-triazolone) salts-the synthesis and promising properties of a new family of high-density insensitive materials.","Dalton transactions (Cambridge, England : 2003)","2016","45","8","3590","3598","10.1039/c5dt04731e","","","0.71073","MoKα","","0.0885","0.0701","","","0.1832","0.19","","","","","","0.897","","","","has coordinates","177833","2020-10-21","18:00:00",""
"7037855","4.6497","0.0002","6.8344","0.0003","27.9597","0.0012","87.196","0.002","85.342","0.002","74.748","0.002","854.02","0.06","147","2","147","2","","","","","","","","5","P -1","-P 1","2","","","","- C38 H54 N2 O2 S2 -","- C38 H54 N2 O2 S2 -","- C38 H54 N2 O2 S2 -","1","0.5","","Li, Peng-Fei; Qian, Chenxi; Lough, Alan J.; Ozin, Geoffrey A.; Seferos, Dwight S.","Permanently porous hydrogen-bonded frameworks of rod-like thiophenes, selenophenes, and tellurophenes capped with MIDA boronates.","Dalton transactions (Cambridge, England : 2003)","2016","45","24","9754","9757","10.1039/c5dt04960a","","","1.54178","CuKα","","0.0547","0.0443","","","0.1168","0.1222","","","","","","1.081","","","","has coordinates,has disorder","185383","2020-10-21","18:00:00",""
"7037856","4.6352","0.0002","6.6073","0.0002","27.9285","0.0009","92.995","0.002","94.603","0.002","104.495","0.002","823.12","0.05","147","2","147","2","","","","","","","","4","P -1","-P 1","2","","","","- C38 H54 N2 O4 -","- C38 H54 N2 O4 -","- C38 H54 N2 O4 -","1","0.5","","Li, Peng-Fei; Qian, Chenxi; Lough, Alan J.; Ozin, Geoffrey A.; Seferos, Dwight S.","Permanently porous hydrogen-bonded frameworks of rod-like thiophenes, selenophenes, and tellurophenes capped with MIDA boronates.","Dalton transactions (Cambridge, England : 2003)","2016","45","24","9754","9757","10.1039/c5dt04960a","","","1.54178","CuKα","","0.0535","0.0461","","","0.1213","0.1251","","","","","","1.097","","","","has coordinates","185383","2020-10-21","18:00:00",""
"7037857","7.2348","0.0005","4.9094","0.0003","48.847","0.003","90","","93.174","0.004","90","","1732.31","0.19","147","2","147","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C38 H54 N2 O S3 -","- C38 H54 N2 O S3 -","- C76 H108 N4 O2 S6 -","2","0.5","","Li, Peng-Fei; Qian, Chenxi; Lough, Alan J.; Ozin, Geoffrey A.; Seferos, Dwight S.","Permanently porous hydrogen-bonded frameworks of rod-like thiophenes, selenophenes, and tellurophenes capped with MIDA boronates.","Dalton transactions (Cambridge, England : 2003)","2016","45","24","9754","9757","10.1039/c5dt04960a","","","1.54178","CuKα","","0.0986","0.0694","","","0.1554","0.1703","","","","","","1.055","","","","has coordinates,has disorder","185383","2020-10-21","18:00:00",""
"7037858","4.642","0.0002","46.2015","0.0016","7.8037","0.0003","90","","96.678","0.003","90","","1662.28","0.11","147","2","147","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C38 H54 N2 O2 S2 -","- C38 H54 N2 O2 S2 -","- C76 H108 N4 O4 S4 -","2","0.5","","Li, Peng-Fei; Qian, Chenxi; Lough, Alan J.; Ozin, Geoffrey A.; Seferos, Dwight S.","Permanently porous hydrogen-bonded frameworks of rod-like thiophenes, selenophenes, and tellurophenes capped with MIDA boronates.","Dalton transactions (Cambridge, England : 2003)","2016","45","24","9754","9757","10.1039/c5dt04960a","","","1.54178","CuKα","","0.0589","0.0464","","","0.1113","0.1188","","","","","","1.041","","","","has coordinates","185383","2020-10-21","18:00:00",""
"7037859","13.9583","0.0003","22.5215","0.0005","15.3686","0.0004","90","","92.3771","0.0013","90","","4827.1","0.2","100","2","100","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C72 H66 F24 N18 Ni8 P4 S12 -","- C72 H66 F24 N18 Ni8 P4 S12 -","- C144 H132 F48 N36 Ni16 P8 S24 -","2","0.5","","Hamaguchi, Tomohiko; Doud, Michael D.; Hilgar, Jeremy; Rinehart, Jeffrey D.; Kubiak, Clifford P.","Competing ferro- and antiferromagnetic interactions in a hexagonal bipyramidal nickel thiolate cluster.","Dalton transactions (Cambridge, England : 2003)","2016","45","6","2374","2377","10.1039/c5dt04861c","","x-ray","0.71073","MoKα","","0.0418","0.0366","","","0.1001","0.104","","","","","","1.055","","","","has coordinates","177821","2020-10-21","18:00:00",""
"7037860","19.7845","0.0009","28.1745","0.0014","30.7109","0.0015","90","","103.989","0.001","90","","16611.1","1.4","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C12 H106 Mo12 N12 O79 V2 -","- C12 H12 Mo12 O56 V2 -","- C96 H96 Mo96 O448 V16 -","8","2","","Gao, Qiao; Li, Fengyan; Sun, Zhixia; Xu, Lin; Sun, Minghui","A new type of photomagnetic system: photoinduced charge transfer in polyoxometalate-based organic-inorganic hybrid.","Dalton transactions (Cambridge, England : 2003)","2016","45","6","2422","2425","10.1039/c5dt03748d","","","0.71073","MoKα","","0.0958","0.0582","","","0.1626","0.1774","","","","","","0.98","","","","has coordinates,has disorder","177822","2020-10-21","18:00:00",""
"7037861","7.6675","0.0014","10.0136","0.0017","20.949","0.004","90","","95.631","0.003","90","","1600.7","0.5","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C10 H13 I3 N2 Se -","- C10 H13 I3 N2 Se -","- C40 H52 I12 N8 Se4 -","4","1","","Lee, Lucia M.; Corless, Victoria B.; Tran, Michael; Jenkins, Hilary; Britten, James F.; Vargas-Baca, Ignacio","Synthetic, structural, and computational investigations of N-alkyl benzo-2,1,3-selenadiazolium iodides and their supramolecular aggregates.","Dalton transactions (Cambridge, England : 2003)","2016","45","8","3285","3293","10.1039/c5dt04314j","","","0.71073","MoKα","","0.0682","0.0381","","","0.0759","0.0861","","","","","","1.024","","","","has coordinates","177825","2020-10-21","18:00:00",""
"7037862","6.4712","0.0011","13.216","0.002","10.4738","0.0019","90","","92.426","0.004","90","","895","0.3","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C7 H7 I N2 Se -","- C7 H7 I N2 Se -","- C28 H28 I4 N8 Se4 -","4","1","","Lee, Lucia M.; Corless, Victoria B.; Tran, Michael; Jenkins, Hilary; Britten, James F.; Vargas-Baca, Ignacio","Synthetic, structural, and computational investigations of N-alkyl benzo-2,1,3-selenadiazolium iodides and their supramolecular aggregates.","Dalton transactions (Cambridge, England : 2003)","2016","45","8","3285","3293","10.1039/c5dt04314j","","","0.71073","MoKα","","0.0262","0.0199","","","0.0385","0.0404","","","","","","1.025","","","","has coordinates","177825","2020-10-21","18:00:00",""
"7037863","15.9864","0.001","11.6711","0.0006","12.7432","0.0007","90","","92.566","0.003","90","","2375.2","0.2","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C20 H18 I2 N6 Se3 -","- C20 H18 I2 N6 Se3 -","- C80 H72 I8 N24 Se12 -","4","0.5","","Lee, Lucia M.; Corless, Victoria B.; Tran, Michael; Jenkins, Hilary; Britten, James F.; Vargas-Baca, Ignacio","Synthetic, structural, and computational investigations of N-alkyl benzo-2,1,3-selenadiazolium iodides and their supramolecular aggregates.","Dalton transactions (Cambridge, England : 2003)","2016","45","8","3285","3293","10.1039/c5dt04314j","","","0.71073","MoKα","","0.055","0.0404","","","0.0685","0.0733","","","","","","1.066","","","","has coordinates","177825","2020-10-21","18:00:00",""
"7037864","11.3174","0.0017","9.8178","0.0015","13.569","0.002","90","","105.047","0.003","90","","1456","0.4","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C9 H11 I3 N2 Se -","- C9 H11 I3 N2 Se -","- C36 H44 I12 N8 Se4 -","4","1","","Lee, Lucia M.; Corless, Victoria B.; Tran, Michael; Jenkins, Hilary; Britten, James F.; Vargas-Baca, Ignacio","Synthetic, structural, and computational investigations of N-alkyl benzo-2,1,3-selenadiazolium iodides and their supramolecular aggregates.","Dalton transactions (Cambridge, England : 2003)","2016","45","8","3285","3293","10.1039/c5dt04314j","","","0.71073","MoKα","","0.0399","0.0261","","","0.0447","0.0481","","","","","","0.999","","","","has coordinates","177825","2020-10-21","18:00:00",""
"7037865","16.0845","0.0013","10.5246","0.0009","6.5973","0.0006","90","","90","","90","","1116.81","0.17","296","2","296.15","","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C9 H11 I N2 Se -","- C9 H11 I N2 Se -","- C36 H44 I4 N8 Se4 -","4","1","","Lee, Lucia M.; Corless, Victoria B.; Tran, Michael; Jenkins, Hilary; Britten, James F.; Vargas-Baca, Ignacio","Synthetic, structural, and computational investigations of N-alkyl benzo-2,1,3-selenadiazolium iodides and their supramolecular aggregates.","Dalton transactions (Cambridge, England : 2003)","2016","45","8","3285","3293","10.1039/c5dt04314j","","","0.71073","MoKα","","0.0276","0.0229","","","0.0419","0.0434","","","","","","1.009","","","","has coordinates","177825","2020-10-21","18:00:00",""
"7037866","11.6676","0.0005","7.6993","0.0007","13.2534","0.0009","90","","90","","90","","1190.58","0.14","296","2","296.15","","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C10 H13 I N2 Se -","- C10 H12.5 I N2 Se -","- C40 H50 I4 N8 Se4 -","4","0.5","","Lee, Lucia M.; Corless, Victoria B.; Tran, Michael; Jenkins, Hilary; Britten, James F.; Vargas-Baca, Ignacio","Synthetic, structural, and computational investigations of N-alkyl benzo-2,1,3-selenadiazolium iodides and their supramolecular aggregates.","Dalton transactions (Cambridge, England : 2003)","2016","45","8","3285","3293","10.1039/c5dt04314j","","","0.71073","MoKα","","0.0413","0.0331","","","0.0828","0.0847","","","","","","1.011","","","","has coordinates,has disorder","177825","2020-10-21","18:00:00",""
"7037867","17.4817","0.0005","20.7047","0.0005","17.5343","0.0005","90","","93.338","0.001","90","","6335.8","0.3","120","2","120","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C77 H71 B Mo O2 P4 -","- C77 H71 B Mo O2 P4 -","- C308 H284 B4 Mo4 O8 P16 -","4","1","","Prior, Christopher; Webster, Lee R.; Ibrahim, Saad K.; Wright, Joseph A.; Alghamdi, Ali F.; Oganesyan, Vasily S.; Pickett, Christopher J.","EPR detection and characterisation of a paramagnetic Mo(iii) dihydride intermediate involved in electrocatalytic hydrogen evolution.","Dalton transactions (Cambridge, England : 2003)","2016","45","6","2399","2403","10.1039/c5dt04432d","","","0.71073","MoKα","","0.15","0.0886","","","0.156","0.1764","","","","","","1.081","","","","has coordinates,has disorder","177804","2020-10-21","18:00:00",""
"7037868","17.4968","0.0006","20.7324","0.0008","17.567","0.0007","90","","93.337","0.002","90","","6361.6","0.4","120","2","120","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C77 H71 B O2 P4 W -","- C77 H71 B O2 P4 W -","- C308 H284 B4 O8 P16 W4 -","4","1","","Prior, Christopher; Webster, Lee R.; Ibrahim, Saad K.; Wright, Joseph A.; Alghamdi, Ali F.; Oganesyan, Vasily S.; Pickett, Christopher J.","EPR detection and characterisation of a paramagnetic Mo(iii) dihydride intermediate involved in electrocatalytic hydrogen evolution.","Dalton transactions (Cambridge, England : 2003)","2016","45","6","2399","2403","10.1039/c5dt04432d","","","0.71073","MoKα","","0.1746","0.0979","","","0.1743","0.1992","","","","","","1.077","","","","has coordinates,has disorder","177804","2020-10-21","18:00:00",""
"7037869","11.347","0.002","19.187","0.004","13.041","0.003","90","","95.15","0.03","90","","2827.8","1","113.15","","113.15","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C52 H24 Cl2 Dy2 F24 N4 O10 -","- C52 H24 Cl2 Dy2 F23.994 N4 O10 -","- C104 H48 Cl4 Dy4 F47.988 N8 O20 -","2","0.5","","Wang, Shi-Yu; Wang, Wen-Min; Zhang, Hong-Xia; Shen, Hai-Yun; Jiang, Li; Cui, Jian-Zhong; Gao, Hong-Ling","Seven phenoxido-bridged complexes encapsulated by 8-hydroxyquinoline Schiff base derivatives and β-diketone ligands: single-molecule magnet, magnetic refrigeration and luminescence properties.","Dalton transactions (Cambridge, England : 2003)","2016","45","8","3362","3371","10.1039/c5dt04391c","","","0.71073","MoKα","","0.0293","0.0248","","","0.059","0.0611","","","","","","1.097","","","","has coordinates,has disorder","177829","2020-10-21","18:00:00",""
"7037870","11.393","0.002","19.181","0.004","13.054","0.003","90","","95.1","0.03","90","","2841.4","1","113.15","","113.15","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C52 H24 Cl2 Er2 F24 N4 O10 -","- C52 H24 Cl2 Er2 F24 N4 O10 -","- C104 H48 Cl4 Er4 F48 N8 O20 -","2","0.5","","Wang, Shi-Yu; Wang, Wen-Min; Zhang, Hong-Xia; Shen, Hai-Yun; Jiang, Li; Cui, Jian-Zhong; Gao, Hong-Ling","Seven phenoxido-bridged complexes encapsulated by 8-hydroxyquinoline Schiff base derivatives and β-diketone ligands: single-molecule magnet, magnetic refrigeration and luminescence properties.","Dalton transactions (Cambridge, England : 2003)","2016","45","8","3362","3371","10.1039/c5dt04391c","","","0.71073","MoKα","","0.0344","0.0289","","","0.0613","0.0639","","","","","","1.117","","","","has coordinates,has disorder","177829","2020-10-21","18:00:00",""
"7037871","11.348","0.002","19.32","0.004","13.115","0.003","90","","95.21","0.03","90","","2863.5","1","113.15","","113.15","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C52 H24 Cl2 F24 Gd2 N4 O10 -","- C52 H24 Cl2 F23.994 Gd2 N4 O10 -","- C104 H48 Cl4 F47.988 Gd4 N8 O20 -","2","0.5","","Wang, Shi-Yu; Wang, Wen-Min; Zhang, Hong-Xia; Shen, Hai-Yun; Jiang, Li; Cui, Jian-Zhong; Gao, Hong-Ling","Seven phenoxido-bridged complexes encapsulated by 8-hydroxyquinoline Schiff base derivatives and β-diketone ligands: single-molecule magnet, magnetic refrigeration and luminescence properties.","Dalton transactions (Cambridge, England : 2003)","2016","45","8","3362","3371","10.1039/c5dt04391c","","","0.71073","MoKα","","0.0565","0.0468","","","0.11","0.1176","","","","","","1.087","","","","has coordinates,has disorder","177829","2020-10-21","18:00:00",""
"7037872","11.361","0.002","19.16","0.004","13.035","0.003","90","","95.15","0.03","90","","2826","1","113.15","","113.15","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C52 H24 Cl2 F24 Ho2 N4 O10 -","- C52 H24 Cl2 F24.006 Ho2 N4 O10 -","- C104 H48 Cl4 F48.012 Ho4 N8 O20 -","2","0.5","","Wang, Shi-Yu; Wang, Wen-Min; Zhang, Hong-Xia; Shen, Hai-Yun; Jiang, Li; Cui, Jian-Zhong; Gao, Hong-Ling","Seven phenoxido-bridged complexes encapsulated by 8-hydroxyquinoline Schiff base derivatives and β-diketone ligands: single-molecule magnet, magnetic refrigeration and luminescence properties.","Dalton transactions (Cambridge, England : 2003)","2016","45","8","3362","3371","10.1039/c5dt04391c","","","0.71073","MoKα","","0.0414","0.0315","","","0.0631","0.067","","","","","","1.056","","","","has coordinates,has disorder","177829","2020-10-21","18:00:00",""
"7037873","11.416","0.002","19.038","0.004","12.998","0.003","90","","94.99","0.03","90","","2814.2","1","113.15","","113.15","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C52 H24 Cl2 F24 Lu2 N4 O10 -","- C52 H24 Cl2 F24 Lu2 N4 O10 -","- C104 H48 Cl4 F48 Lu4 N8 O20 -","2","0.5","","Wang, Shi-Yu; Wang, Wen-Min; Zhang, Hong-Xia; Shen, Hai-Yun; Jiang, Li; Cui, Jian-Zhong; Gao, Hong-Ling","Seven phenoxido-bridged complexes encapsulated by 8-hydroxyquinoline Schiff base derivatives and β-diketone ligands: single-molecule magnet, magnetic refrigeration and luminescence properties.","Dalton transactions (Cambridge, England : 2003)","2016","45","8","3362","3371","10.1039/c5dt04391c","","","0.71073","MoKα","","0.041","0.0322","","","0.0654","0.0694","","","","","","1.061","","","","has coordinates","177829","2020-10-21","18:00:00",""
"7037874","11.345","0.002","19.264","0.004","13.074","0.003","90","","95.17","0.03","90","","2845.7","1","113.15","","113.15","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C52 H24 Cl2 F24 N4 O10 Tb2 -","- C52 H24 Cl2 F24 N4 O10 Tb2 -","- C104 H48 Cl4 F48 N8 O20 Tb4 -","2","0.5","","Wang, Shi-Yu; Wang, Wen-Min; Zhang, Hong-Xia; Shen, Hai-Yun; Jiang, Li; Cui, Jian-Zhong; Gao, Hong-Ling","Seven phenoxido-bridged complexes encapsulated by 8-hydroxyquinoline Schiff base derivatives and β-diketone ligands: single-molecule magnet, magnetic refrigeration and luminescence properties.","Dalton transactions (Cambridge, England : 2003)","2016","45","8","3362","3371","10.1039/c5dt04391c","","","0.71073","MoKα","","0.0566","0.044","","","0.0831","0.0883","","","","","","1.105","","","","has coordinates,has disorder","177829","2020-10-21","18:00:00",""
"7037875","11.38","0.002","19.207","0.004","13.089","0.003","90","","95.04","0.03","90","","2849.9","1","113.15","","113.15","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C52 H24 Cl2 F24 N4 O10 Y2 -","- C52 H24 Cl2 F24 N4 O10 Y2 -","- C104 H48 Cl4 F48 N8 O20 Y4 -","2","0.5","","Wang, Shi-Yu; Wang, Wen-Min; Zhang, Hong-Xia; Shen, Hai-Yun; Jiang, Li; Cui, Jian-Zhong; Gao, Hong-Ling","Seven phenoxido-bridged complexes encapsulated by 8-hydroxyquinoline Schiff base derivatives and β-diketone ligands: single-molecule magnet, magnetic refrigeration and luminescence properties.","Dalton transactions (Cambridge, England : 2003)","2016","45","8","3362","3371","10.1039/c5dt04391c","","","0.71073","MoKα","","0.0437","0.0373","","","0.0837","0.0873","","","","","","1.064","","","","has coordinates,has disorder","177829","2020-10-21","18:00:00",""
"7037876","21.0769","0.0013","15.668","0.0008","9.2192","0.0004","90","","103.261","0.005","90","","2963.3","0.3","130","1","130","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C8.5 H20 Mg O10.5 -","- C6 H6 Mg O8 -","- C48 H48 Mg8 O64 -","8","1","","Abrahams, Brendan F.; Dharma, A. David; Dyett, Brendan; Hudson, Timothy A.; Maynard-Casely, Helen; Kingsbury, Christopher J.; McCormick, Laura J.; Robson, Richard; Sutton, Ashley L.; White, Keith F.","An indirect generation of 1D M(II)-2,5-dihydroxybenzoquinone coordination polymers, their structural rearrangements and generation of materials with a high affinity for H2, CO2 and CH4.","Dalton transactions (Cambridge, England : 2003)","2016","45","4","1339","1344","10.1039/c5dt04095g","","","1.54184","CuKα","","0.0861","0.0571","","","0.1424","0.1562","","","","","","0.996","","","","has coordinates","176014","2020-10-21","18:00:00",""
"7037877","21.4589","0.001","15.5785","0.0006","9.2643","0.0003","90","","102.941","0.004","90","","3018.4","0.2","130","2","130","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C9 H19 O9.5 Zn -","- C6 H6 O8 Zn -","- C48 H48 O64 Zn8 -","8","1","","Abrahams, Brendan F.; Dharma, A. David; Dyett, Brendan; Hudson, Timothy A.; Maynard-Casely, Helen; Kingsbury, Christopher J.; McCormick, Laura J.; Robson, Richard; Sutton, Ashley L.; White, Keith F.","An indirect generation of 1D M(II)-2,5-dihydroxybenzoquinone coordination polymers, their structural rearrangements and generation of materials with a high affinity for H2, CO2 and CH4.","Dalton transactions (Cambridge, England : 2003)","2016","45","4","1339","1344","10.1039/c5dt04095g","","","1.54184","CuKα","","0.0613","0.0427","","","0.1139","0.118","","","","","","0.922","","","","has coordinates","176014","2020-10-21","18:00:00",""
"7037878","6.8276","0.0007","7.6461","0.0007","7.8635","0.0007","90","","112.777","0.012","90","","378.5","0.07","130","1","130","1","","","","","","","","4","C 1 2/m 1","-C 2y","12","","","","- C6 H6 Mg O6 -","- C6 H6 Mg O6 -","- C12 H12 Mg2 O12 -","2","0.25","","Abrahams, Brendan F.; Dharma, A. David; Dyett, Brendan; Hudson, Timothy A.; Maynard-Casely, Helen; Kingsbury, Christopher J.; McCormick, Laura J.; Robson, Richard; Sutton, Ashley L.; White, Keith F.","An indirect generation of 1D M(II)-2,5-dihydroxybenzoquinone coordination polymers, their structural rearrangements and generation of materials with a high affinity for H2, CO2 and CH4.","Dalton transactions (Cambridge, England : 2003)","2016","45","4","1339","1344","10.1039/c5dt04095g","","","1.54184","CuKα","","0.0489","0.0424","","","0.1131","0.1169","","","","","","1.09","","","","has coordinates","176014","2020-10-21","18:00:00",""
"7037879","6.7149","0.0017","7.7544","0.0013","7.8421","0.0017","90","","113.45","0.03","90","","374.61","0.16","130","1","130","2","","","","","","","","4","C 1 2/m 1","-C 2y","12","","","","- C6 H6 O6 Zn -","- C6 H6 O6 Zn -","- C12 H12 O12 Zn2 -","2","0.25","","Abrahams, Brendan F.; Dharma, A. David; Dyett, Brendan; Hudson, Timothy A.; Maynard-Casely, Helen; Kingsbury, Christopher J.; McCormick, Laura J.; Robson, Richard; Sutton, Ashley L.; White, Keith F.","An indirect generation of 1D M(II)-2,5-dihydroxybenzoquinone coordination polymers, their structural rearrangements and generation of materials with a high affinity for H2, CO2 and CH4.","Dalton transactions (Cambridge, England : 2003)","2016","45","4","1339","1344","10.1039/c5dt04095g","","","1.54184","CuKα","","0.0378","0.034","","","0.0851","0.0893","","","","","","1.128","","","","has coordinates","176014","2020-10-21","18:00:00",""
"7037880","21.10705","0.00017","21.10705","0.00017","21.10705","0.00017","90","","90","","90","","9403.35","0.13","150.02","0.1","150.02","0.1","","","","","","","","5","P a -3","-P 2ac 2ab 3","205","","","","- C73 H128 P4 Si10.8 Th2 -","- C72.9978 H127.999 P3.9998 Si10.8 Th2 -","- C291.991 H511.994 P15.9992 Si43.2 Th8 -","4","0.166667","","Formanuik, Alasdair; Ortu, Fabrizio; Beekmeyer, Reece; Kerridge, Andrew; Adams, Ralph W.; Mills, David P.","White phosphorus activation by a Th(iii) complex.","Dalton transactions (Cambridge, England : 2003)","2016","45","6","2390","2393","10.1039/c5dt04528b","","","0.71073","MoKα","","0.0834","0.058","","","0.1685","0.1918","","","","","","1.044","","","","has coordinates,has disorder","177808","2020-10-21","18:00:00",""
"7037881","26.243","0.003","5.8935","0.0006","27.46","0.003","90","","112.948","0.001","90","","3910.9","0.7","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C42 H46 Fe2 N2 Se4 -","- C42 H46 Fe2 N2 Se4 -","- C168 H184 Fe8 N8 Se16 -","4","0.5","","Qu, Jian; Song, Yinglin; Ji, Wei; Jing, Su; Zhu, Dunru; Huang, Wei; Zheng, Mengxi; Li, Yanle; Ma, Jing","Macrocyclic Se4N2[7,7]ferrocenophane and Se2N[10]ferrocenophane containing benzyl unit: synthesis, complexation, crystal structures, electrochemical and optical properties.","Dalton transactions (Cambridge, England : 2003)","2016","45","8","3417","3428","10.1039/c5dt04763c","","","0.71073","MoKα","","0.0298","0.0233","","","0.053","0.0547","","","","","","1.064","","","","has coordinates","177837","2020-10-21","18:00:00",""
"7037882","10.4214","0.0017","11.3687","0.0018","12.1274","0.0019","117.235","0.002","92.895","0.002","97.974","0.002","1254.5","0.3","293","2","293","2","","","","","","","","8","P -1","-P 1","2","","","","- C44 H50 Cl4 Cu2 Fe2 I2 N2 Se4 -","- C44 H50 Cl4 Cu2 Fe2 I2 N2 Se4 -","- C44 H50 Cl4 Cu2 Fe2 I2 N2 Se4 -","1","0.5","","Qu, Jian; Song, Yinglin; Ji, Wei; Jing, Su; Zhu, Dunru; Huang, Wei; Zheng, Mengxi; Li, Yanle; Ma, Jing","Macrocyclic Se4N2[7,7]ferrocenophane and Se2N[10]ferrocenophane containing benzyl unit: synthesis, complexation, crystal structures, electrochemical and optical properties.","Dalton transactions (Cambridge, England : 2003)","2016","45","8","3417","3428","10.1039/c5dt04763c","","","0.71073","MoKα","","0.0493","0.0372","","","0.0985","0.1034","","","","","","0.998","","","","has coordinates","177837","2020-10-21","18:00:00",""
"7037883","11.011","0.004","20.894","0.008","11.044","0.004","90","","110.632","0.006","90","","2377.9","1.5","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C46 H52 Br2 Cu2 Fe2 N4 Se4 -","- C46 H52 Br2 Cu2 Fe2 N4 Se4 -","- C92 H104 Br4 Cu4 Fe4 N8 Se8 -","2","0.5","","Qu, Jian; Song, Yinglin; Ji, Wei; Jing, Su; Zhu, Dunru; Huang, Wei; Zheng, Mengxi; Li, Yanle; Ma, Jing","Macrocyclic Se4N2[7,7]ferrocenophane and Se2N[10]ferrocenophane containing benzyl unit: synthesis, complexation, crystal structures, electrochemical and optical properties.","Dalton transactions (Cambridge, England : 2003)","2016","45","8","3417","3428","10.1039/c5dt04763c","","","0.71073","MoKα","","0.0896","0.0604","","","0.1566","0.1672","","","","","","1.056","","","","has coordinates","177837","2020-10-21","18:00:00",""
"7037884","13.244","0.003","10.602","0.003","16.736","0.003","90","","125.019","0.012","90","","1924.5","0.8","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C21 H23 Fe N Se2 -","- C21 H23 Fe N Se2 -","- C84 H92 Fe4 N4 Se8 -","4","1","","Qu, Jian; Song, Yinglin; Ji, Wei; Jing, Su; Zhu, Dunru; Huang, Wei; Zheng, Mengxi; Li, Yanle; Ma, Jing","Macrocyclic Se4N2[7,7]ferrocenophane and Se2N[10]ferrocenophane containing benzyl unit: synthesis, complexation, crystal structures, electrochemical and optical properties.","Dalton transactions (Cambridge, England : 2003)","2016","45","8","3417","3428","10.1039/c5dt04763c","","","0.71073","MoKα","","0.0504","0.039","","","0.097","0.101","","","","","","1.055","","","","has coordinates","177837","2020-10-21","18:00:00",""
"7037885","13.594","0.003","15.155","0.003","13.682","0.003","90","","108.069","0.002","90","","2679.7","1","293","2","293","2","","","","","","","","10","P 1 21/c 1","-P 2ybc","14","","","","- C44 H54 Cl2 F12 Fe2 N2 O2 P2 Pd2 Se4 -","- C44 H54 Cl2 F12 Fe2 N2 O2 P2 Pd2 Se4 -","- C88 H108 Cl4 F24 Fe4 N4 O4 P4 Pd4 Se8 -","2","0.5","","Qu, Jian; Song, Yinglin; Ji, Wei; Jing, Su; Zhu, Dunru; Huang, Wei; Zheng, Mengxi; Li, Yanle; Ma, Jing","Macrocyclic Se4N2[7,7]ferrocenophane and Se2N[10]ferrocenophane containing benzyl unit: synthesis, complexation, crystal structures, electrochemical and optical properties.","Dalton transactions (Cambridge, England : 2003)","2016","45","8","3417","3428","10.1039/c5dt04763c","","","0.71073","MoKα","","0.0658","0.046","","","0.1286","0.1369","","","","","","1.078","","","","has coordinates","177837","2020-10-21","18:00:00",""
"7037886","10.782","0.0005","19.2055","0.0009","15.1526","0.0005","90","","128.066","0.002","90","","2470.32","0.19","293","2","293","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C44 H52 Cl2 Cu2 Fe2 N2 O10 Se4 -","- C44 H52 Cl2 Cu2 Fe2 N2 O10 Se4 -","- C88 H104 Cl4 Cu4 Fe4 N4 O20 Se8 -","2","0.5","","Qu, Jian; Song, Yinglin; Ji, Wei; Jing, Su; Zhu, Dunru; Huang, Wei; Zheng, Mengxi; Li, Yanle; Ma, Jing","Macrocyclic Se4N2[7,7]ferrocenophane and Se2N[10]ferrocenophane containing benzyl unit: synthesis, complexation, crystal structures, electrochemical and optical properties.","Dalton transactions (Cambridge, England : 2003)","2016","45","8","3417","3428","10.1039/c5dt04763c","","","0.71073","MoKα","","0.0536","0.0357","","","0.0902","0.0973","","","","","","1.022","","","","has coordinates","177837","2020-10-21","18:00:00",""
"7037887","10.72","0.009","10.78","0.009","13.182","0.011","105.674","0.01","109.534","0.01","99.176","0.011","1328.9","1.9","296","2","296","2","","","","","","","","8","P -1","-P 1","2","","","","- C46 H52 Cu2 F12 Fe2 N4 P2 Se4 -","- C46 H52 Cu2 F12 Fe2 N4 P2 Se4 -","- C46 H52 Cu2 F12 Fe2 N4 P2 Se4 -","1","0.5","","Qu, Jian; Song, Yinglin; Ji, Wei; Jing, Su; Zhu, Dunru; Huang, Wei; Zheng, Mengxi; Li, Yanle; Ma, Jing","Macrocyclic Se4N2[7,7]ferrocenophane and Se2N[10]ferrocenophane containing benzyl unit: synthesis, complexation, crystal structures, electrochemical and optical properties.","Dalton transactions (Cambridge, England : 2003)","2016","45","8","3417","3428","10.1039/c5dt04763c","","","0.71073","MoKα","","0.0741","0.0455","","","0.1101","0.1198","","","","","","0.987","","","","has coordinates","177837","2020-10-21","18:00:00",""
"7037888","13.017","0.005","13.539","0.005","17.702","0.005","68.517","0.005","79.923","0.005","62.222","0.005","2568.4","1.6","191","2","191","2","","","","","","","","8","P -1","-P 1","2","","","","- C12 H60 Fe2 N8 Na2 O88 Sb2 W20 -","- C12 H20 Fe2 N8 Na2 O88 Sb2 W20 -","- C12 H20 Fe2 N8 Na2 O88 Sb2 W20 -","1","0.5","","Sun, Minghui; Li, Fengyan; Yu, Longjiao; Wang, Ya; Xu, Lin","Synthesis of [Sb2W20Fe(H2O)6O70](10-) with iron powder under mild conditions and its applications in both catalytic Fenton reaction and electrochemical sensing of ascorbic acid.","Dalton transactions (Cambridge, England : 2003)","2016","45","6","2417","2421","10.1039/c5dt04637h","","","0.71069","MoKα","","0.0794","0.0607","","","0.1604","0.1816","","","","","","1.078","","","","has coordinates,has disorder","211179","2020-10-21","18:00:00",""
"7037889","5.163","0.002","9.73","0.004","14.574","0.006","90","","90","","90","","732.1","0.5","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- Ba Cu2 H2 O9 P2 -","- Ba Cu2 H2 O9 P2 -","- Ba4 Cu8 H8 O36 P8 -","4","1","","Yang, Ming; Cui, Meiyan; Zhang, Suyun; Xiang, Hongping; Guo, Wenbin; He, Zhangzhen","Two S = 1/2 one-dimensional barium copper phosphates showing antiferromagnetic and ferromagnetic intrachain interactions.","Dalton transactions (Cambridge, England : 2003)","2016","45","8","3319","3326","10.1039/c5dt03725e","","","0.71073","MoKα","","0.0134","0.0128","","","0.0309","0.031","","","","","","1.138","","","","has coordinates","177839","2020-10-21","18:00:00",""
"7037890","8.328","0.006","5.868","0.004","9.078","0.006","90","","112.571","0.01","90","","409.7","0.5","293","2","293","2","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","","","- Ba Cu0.5 O4.5 P -","- Ba Cu0.5 O4.5 P -","- Ba4 Cu2 O18 P4 -","4","1","","Yang, Ming; Cui, Meiyan; Zhang, Suyun; Xiang, Hongping; Guo, Wenbin; He, Zhangzhen","Two S = 1/2 one-dimensional barium copper phosphates showing antiferromagnetic and ferromagnetic intrachain interactions.","Dalton transactions (Cambridge, England : 2003)","2016","45","8","3319","3326","10.1039/c5dt03725e","","","0.71073","MoKα","","0.0232","0.0206","","","0.0497","0.0612","","","","","","1.078","","","","has coordinates","177839","2020-10-21","18:00:00",""
"7037891","15.9941","0.001","15.4161","0.001","15.6472","0.001","90","","109.858","0.003","90","","3628.7","0.4","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C32 H46 Cl4 Fe2 N8 O3 -","- C32 H46 Cl4 Fe2 N8 O3 -","- C128 H184 Cl16 Fe8 N32 O12 -","4","0.5","","Strautmann, Julia Bernhardette Hildegard; Dammers, Susanne; Limpke, Thomas; Parthier, Janine; Zimmermann, Thomas Philipp; Walleck, Stephan; Heinze-Brückner, Gabriele; Stammler, Anja; Bögge, Hartmut; Glaser, Thorsten","Design and synthesis of a dinucleating ligand system with varying terminal donor functions that provides no bridging donor and its application to the synthesis of a series of Fe(III)-μ-O-Fe(III) complexes.","Dalton transactions (Cambridge, England : 2003)","2016","45","8","3340","3361","10.1039/c5dt03711e","","","0.71073","MoKα","","0.0301","0.0255","","","0.0661","0.0689","","","","","","1.011","","","","has coordinates","177841","2020-10-21","18:00:00",""
"7037892","8.1738","0.0008","13.2744","0.0013","19.1664","0.0019","83.257","0.005","81.601","0.005","72.579","0.004","1956.9","0.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C32.75 H44.75 Cl3.75 Fe2 N8 O9.75 -","- C32.75 H42.75 Cl3.75 Fe2 N8 O9.75 -","- C65.5 H85.5 Cl7.5 Fe4 N16 O19.5 -","2","1","","Strautmann, Julia Bernhardette Hildegard; Dammers, Susanne; Limpke, Thomas; Parthier, Janine; Zimmermann, Thomas Philipp; Walleck, Stephan; Heinze-Brückner, Gabriele; Stammler, Anja; Bögge, Hartmut; Glaser, Thorsten","Design and synthesis of a dinucleating ligand system with varying terminal donor functions that provides no bridging donor and its application to the synthesis of a series of Fe(III)-μ-O-Fe(III) complexes.","Dalton transactions (Cambridge, England : 2003)","2016","45","8","3340","3361","10.1039/c5dt03711e","","","0.71073","MoKα","","0.0278","0.0243","","","0.0627","0.0652","","","","","","1.056","","","","has coordinates,has disorder","177841","2020-10-21","18:00:00",""
"7037893","8.1714","0.0004","13.1963","0.0006","19.2643","0.001","83.133","0.002","81.364","0.002","72.765","0.002","1955.33","0.17","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C33 H45 Cl4 Fe2 N8 O9.5 -","- C33 H42 Cl4 Fe2 N8 O9.5 -","- C66 H84 Cl8 Fe4 N16 O19 -","2","1","","Strautmann, Julia Bernhardette Hildegard; Dammers, Susanne; Limpke, Thomas; Parthier, Janine; Zimmermann, Thomas Philipp; Walleck, Stephan; Heinze-Brückner, Gabriele; Stammler, Anja; Bögge, Hartmut; Glaser, Thorsten","Design and synthesis of a dinucleating ligand system with varying terminal donor functions that provides no bridging donor and its application to the synthesis of a series of Fe(III)-μ-O-Fe(III) complexes.","Dalton transactions (Cambridge, England : 2003)","2016","45","8","3340","3361","10.1039/c5dt03711e","","","0.71073","MoKα","","0.0341","0.031","","","0.0952","0.0983","","","","","","1.14","","","","has coordinates","177841","2020-10-21","18:00:00",""
"7037894","17.5005","0.0009","11.7785","0.0006","21.6508","0.0011","90","","97.697","0.001","90","","4422.7","0.4","183","2","183","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C45 H60 Cl2 Fe2 N4 O5 -","- C45 H60 Cl2 Fe2 N4 O5 -","- C180 H240 Cl8 Fe8 N16 O20 -","4","0.5","","Strautmann, Julia Bernhardette Hildegard; Dammers, Susanne; Limpke, Thomas; Parthier, Janine; Zimmermann, Thomas Philipp; Walleck, Stephan; Heinze-Brückner, Gabriele; Stammler, Anja; Bögge, Hartmut; Glaser, Thorsten","Design and synthesis of a dinucleating ligand system with varying terminal donor functions that provides no bridging donor and its application to the synthesis of a series of Fe(III)-μ-O-Fe(III) complexes.","Dalton transactions (Cambridge, England : 2003)","2016","45","8","3340","3361","10.1039/c5dt03711e","","","0.71073","MoKα","","0.0863","0.0524","","","0.1101","0.1248","","","","","","1.039","","","","has coordinates","177841","2020-10-21","18:00:00",""
"7037895","8.571","0.0005","9.9468","0.0006","28.6201","0.0016","90","","95.343","0.001","90","","2429.4","0.2","183","2","183","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C46 H62 Cl6 Fe2 N4 O4 -","- C46 H62 Cl6 Fe2 N4 O4 -","- C92 H124 Cl12 Fe4 N8 O8 -","2","0.5","","Strautmann, Julia Bernhardette Hildegard; Dammers, Susanne; Limpke, Thomas; Parthier, Janine; Zimmermann, Thomas Philipp; Walleck, Stephan; Heinze-Brückner, Gabriele; Stammler, Anja; Bögge, Hartmut; Glaser, Thorsten","Design and synthesis of a dinucleating ligand system with varying terminal donor functions that provides no bridging donor and its application to the synthesis of a series of Fe(III)-μ-O-Fe(III) complexes.","Dalton transactions (Cambridge, England : 2003)","2016","45","8","3340","3361","10.1039/c5dt03711e","","","0.71073","MoKα","","0.0676","0.0498","","","0.1337","0.1455","","","","","","1.028","","","","has coordinates","177841","2020-10-21","18:00:00",""
"7037896","19.6588","0.0012","7.7101","0.0005","10.0166","0.0006","90","","106.519","0.001","90","","1455.57","0.16","173","2","173","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C16 H44 Fe2 N4 O18 -","- C16 H26 Fe2 N4 O18 -","- C32 H52 Fe4 N8 O36 -","2","0.5","","Strautmann, Julia Bernhardette Hildegard; Dammers, Susanne; Limpke, Thomas; Parthier, Janine; Zimmermann, Thomas Philipp; Walleck, Stephan; Heinze-Brückner, Gabriele; Stammler, Anja; Bögge, Hartmut; Glaser, Thorsten","Design and synthesis of a dinucleating ligand system with varying terminal donor functions that provides no bridging donor and its application to the synthesis of a series of Fe(III)-μ-O-Fe(III) complexes.","Dalton transactions (Cambridge, England : 2003)","2016","45","8","3340","3361","10.1039/c5dt03711e","","","0.71073","MoKα","","0.0456","0.045","","","0.11","0.1102","","","","","","1.246","","","","has coordinates","177841","2020-10-21","18:00:00",""
"7037897","9.7469","0.0006","13.7146","0.0008","20.0061","0.0012","78.02","0.001","76.941","0.001","86.008","0.001","2547.7","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C19.2 H22.4 Eu N7 O9.4 -","- C19.2 H22.4 Eu N7 O9.4 -","- C76.8 H89.6 Eu4 N28 O37.6 -","4","2","","Piccinelli, Fabio; Leonzio, Marco; Bettinelli, Marco; Monari, Magda; Grazioli, Cristian; Melchior, Andrea; Tolazzi, Marilena","Tuning of the sensing properties of luminescent Eu(3+) complexes towards the nitrate anion.","Dalton transactions (Cambridge, England : 2003)","2016","45","8","3310","3318","10.1039/c5dt04665c","","","0.71073","MoKα","","0.051","0.0346","","","0.0836","0.0916","","","","","","1.032","","","","has coordinates,has disorder","177843","2020-10-21","18:00:00",""
"7037898","9.017","0.006","9.606","0.006","18.689","0.012","90","","90","","90","","1618.8","1.8","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- Ba3 Cs2 O14 P4 -","- Ba3 Cs2 O14 P4 -","- Ba12 Cs8 O56 P16 -","4","1","","Li, Lin; Han, Shujuan; Lei, Bing-Hua; Wang, Ying; Li, Hongyi; Yang, Zhihua; Pan, Shilie","Three new phosphates with isolated P2O7 units: noncentrosymmetric Cs2Ba3(P2O7)2 and centrosymmetric Cs2BaP2O7 and LiCsBaP2O7.","Dalton transactions (Cambridge, England : 2003)","2016","45","9","3936","3942","10.1039/c5dt05026j","","","0.71073","MoKα","","0.0239","0.0222","","","0.0479","0.0488","","","","","","1.061","","","","has coordinates","177857","2020-10-21","18:00:00",""
"7037899","10.758","0.003","6.182","0.002","13.867","0.004","90","","105.215","0.003","90","","889.9","0.5","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- Ba Cs2 O7 P2 -","- Ba Cs2 O7 P2 -","- Ba4 Cs8 O28 P8 -","4","1","","Li, Lin; Han, Shujuan; Lei, Bing-Hua; Wang, Ying; Li, Hongyi; Yang, Zhihua; Pan, Shilie","Three new phosphates with isolated P2O7 units: noncentrosymmetric Cs2Ba3(P2O7)2 and centrosymmetric Cs2BaP2O7 and LiCsBaP2O7.","Dalton transactions (Cambridge, England : 2003)","2016","45","9","3936","3942","10.1039/c5dt05026j","","","0.71073","MoKα","","0.0339","0.0261","","","0.0691","0.0738","","","","","","1.07","","","","has coordinates","177857","2020-10-21","18:00:00",""
"7037900","7.0782","0.0007","10.824","0.0012","10.7132","0.001","90","","105.616","0.006","90","","790.49","0.14","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- Ba Cs Li O7 P2 -","- Ba Cs Li O7 P2 -","- Ba4 Cs4 Li4 O28 P8 -","4","1","","Li, Lin; Han, Shujuan; Lei, Bing-Hua; Wang, Ying; Li, Hongyi; Yang, Zhihua; Pan, Shilie","Three new phosphates with isolated P2O7 units: noncentrosymmetric Cs2Ba3(P2O7)2 and centrosymmetric Cs2BaP2O7 and LiCsBaP2O7.","Dalton transactions (Cambridge, England : 2003)","2016","45","9","3936","3942","10.1039/c5dt05026j","","","0.71073","MoKα","","0.0244","0.0211","","","0.0453","0.0464","","","","","","1.089","","","","has coordinates","177857","2020-10-21","18:00:00",""
"7037901","16.951","0.004","14.594","0.004","17.472","0.004","90","","98.722","0.006","90","","4272.3","1.8","123","2","123","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H8 Cl12 La2 O16 -","- C24 H8 Cl12 La2 O16 -","- C96 H32 Cl48 La8 O64 -","4","1","","Chen, Sheng-Chun; Dai, An-Qi; Huang, Kun-Lin; Zhang, Zhi-Hui; Cui, Ai-Jun; He, Ming-Yang; Chen, Qun","Assembly of 1D, 2D and 3D lanthanum(iii) coordination polymers with perchlorinated benzenedicarboxylates: positional isomeric effect, structural transformation and ring-opening polymerisation of glycolide.","Dalton transactions (Cambridge, England : 2003)","2016","45","8","3577","3589","10.1039/c5dt04687d","","","0.71073","MoKα","","0.0482","0.036","","","0.0725","0.0734","","","","","","1.078","","","","has coordinates","177834","2020-10-21","18:00:00",""
"7037902","9.45","0.003","10.965","0.003","12.524","0.004","89.565","0.007","72.551","0.008","79.82","0.007","1217.1","0.6","123","2","123","2","","","","","","","","6","P -1","-P 1","2","","","","- C16 H19 Cl4 La N2 O9 -","- C16 H19 Cl4 La N2 O9 -","- C32 H38 Cl8 La2 N4 O18 -","2","1","","Chen, Sheng-Chun; Dai, An-Qi; Huang, Kun-Lin; Zhang, Zhi-Hui; Cui, Ai-Jun; He, Ming-Yang; Chen, Qun","Assembly of 1D, 2D and 3D lanthanum(iii) coordination polymers with perchlorinated benzenedicarboxylates: positional isomeric effect, structural transformation and ring-opening polymerisation of glycolide.","Dalton transactions (Cambridge, England : 2003)","2016","45","8","3577","3589","10.1039/c5dt04687d","","","0.71073","MoKα","","0.0407","0.0313","","","0.0684","0.0702","","","","","","1.03","","","","has coordinates","177834","2020-10-21","18:00:00",""
"7037903","9.4625","0.0018","10.899","0.002","13.354","0.003","98.582","0.004","99.984","0.004","103.542","0.003","1292.5","0.4","123","2","123","2","","","","","","","","6","P -1","-P 1","2","","","","- C18 H23 Cl4 La N2 O9 -","- C18 H23 Cl4 La N2 O9 -","- C36 H46 Cl8 La2 N4 O18 -","2","1","","Chen, Sheng-Chun; Dai, An-Qi; Huang, Kun-Lin; Zhang, Zhi-Hui; Cui, Ai-Jun; He, Ming-Yang; Chen, Qun","Assembly of 1D, 2D and 3D lanthanum(iii) coordination polymers with perchlorinated benzenedicarboxylates: positional isomeric effect, structural transformation and ring-opening polymerisation of glycolide.","Dalton transactions (Cambridge, England : 2003)","2016","45","8","3577","3589","10.1039/c5dt04687d","","","0.71073","MoKα","","0.0332","0.0316","","","0.0808","0.0821","","","","","","1.026","","","","has coordinates","177834","2020-10-21","18:00:00",""
"7037904","10.379","0.002","11.008","0.003","11.165","0.002","66.507","0.004","82.54","0.004","76.892","0.004","1138.3","0.4","123","2","123","2","","","","","","","","6","P -1","-P 1","2","","","","- C15 H13 Cl6 La N O10 -","- C15 H13 Cl6 La N O10 -","- C30 H26 Cl12 La2 N2 O20 -","2","1","","Chen, Sheng-Chun; Dai, An-Qi; Huang, Kun-Lin; Zhang, Zhi-Hui; Cui, Ai-Jun; He, Ming-Yang; Chen, Qun","Assembly of 1D, 2D and 3D lanthanum(iii) coordination polymers with perchlorinated benzenedicarboxylates: positional isomeric effect, structural transformation and ring-opening polymerisation of glycolide.","Dalton transactions (Cambridge, England : 2003)","2016","45","8","3577","3589","10.1039/c5dt04687d","","","0.71073","MoKα","","0.0218","0.021","","","0.0755","0.076","","","","","","1.028","","","","has coordinates","177834","2020-10-21","18:00:00",""
"7037905","10.5749","0.0011","11.5384","0.0012","12.1502","0.0012","103.246","0.002","95.911","0.003","92.019","0.002","1432.8","0.3","123","2","123","2","","","","","","","","6","P -1","-P 1","2","","","","- C19 H19 Cl6 La N O9 -","- C19 H19 Cl6 La N O9 -","- C38 H38 Cl12 La2 N2 O18 -","2","1","","Chen, Sheng-Chun; Dai, An-Qi; Huang, Kun-Lin; Zhang, Zhi-Hui; Cui, Ai-Jun; He, Ming-Yang; Chen, Qun","Assembly of 1D, 2D and 3D lanthanum(iii) coordination polymers with perchlorinated benzenedicarboxylates: positional isomeric effect, structural transformation and ring-opening polymerisation of glycolide.","Dalton transactions (Cambridge, England : 2003)","2016","45","8","3577","3589","10.1039/c5dt04687d","","","0.71073","MoKα","","0.0628","0.0527","","","0.1379","0.1431","","","","","","1.037","","","","has coordinates,has disorder","177834","2020-10-21","18:00:00",""
"7037906","10.1071","0.0008","13.0894","0.001","13.6696","0.0011","97.074","0.001","109.843","0.001","95.596","0.002","1669.2","0.2","123","2","123","2","","","","","","","","6","P -1","-P 1","2","","","","- C24 H29 Cl6 La N3 O10 -","- C24 H29 Cl6 La N3 O10 -","- C48 H58 Cl12 La2 N6 O20 -","2","1","","Chen, Sheng-Chun; Dai, An-Qi; Huang, Kun-Lin; Zhang, Zhi-Hui; Cui, Ai-Jun; He, Ming-Yang; Chen, Qun","Assembly of 1D, 2D and 3D lanthanum(iii) coordination polymers with perchlorinated benzenedicarboxylates: positional isomeric effect, structural transformation and ring-opening polymerisation of glycolide.","Dalton transactions (Cambridge, England : 2003)","2016","45","8","3577","3589","10.1039/c5dt04687d","","","0.71073","MoKα","","0.0327","0.0303","","","0.1172","0.1194","","","","","","1.022","","","","has coordinates","177834","2020-10-21","18:00:00",""
"7037907","10.2","0.0014","13.0205","0.0017","14.0655","0.0019","95.32","0.002","110.326","0.003","94.655","0.003","1731.3","0.4","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C27 H29 Cl6 La N3 O10 -","- C27 H29 Cl6 La N3 O10 -","- C54 H58 Cl12 La2 N6 O20 -","2","1","","Chen, Sheng-Chun; Dai, An-Qi; Huang, Kun-Lin; Zhang, Zhi-Hui; Cui, Ai-Jun; He, Ming-Yang; Chen, Qun","Assembly of 1D, 2D and 3D lanthanum(iii) coordination polymers with perchlorinated benzenedicarboxylates: positional isomeric effect, structural transformation and ring-opening polymerisation of glycolide.","Dalton transactions (Cambridge, England : 2003)","2016","45","8","3577","3589","10.1039/c5dt04687d","","","0.71073","MoKα","","0.0341","0.0297","","","0.0834","0.088","","","","","","1.002","","","","has coordinates,has disorder","177834","2020-10-21","18:00:00",""
"7037908","8.887","0.0016","25.053","0.0019","10.039","0.0017","90","","101.565","0.003","90","","2189.8","0.6","123","2","123","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C12 H2 Cl6 La O7 -","- C12 H2 Cl6 La O7 -","- C48 H8 Cl24 La4 O28 -","4","0.5","","Chen, Sheng-Chun; Dai, An-Qi; Huang, Kun-Lin; Zhang, Zhi-Hui; Cui, Ai-Jun; He, Ming-Yang; Chen, Qun","Assembly of 1D, 2D and 3D lanthanum(iii) coordination polymers with perchlorinated benzenedicarboxylates: positional isomeric effect, structural transformation and ring-opening polymerisation of glycolide.","Dalton transactions (Cambridge, England : 2003)","2016","45","8","3577","3589","10.1039/c5dt04687d","","","0.71073","MoKα","","0.0458","0.0342","","","0.0765","0.0789","","","","","","1.01","","","","has coordinates,has disorder","177834","2020-10-21","18:00:00",""
"7037909","17.7012","0.0007","16.3885","0.0005","18.0629","0.0008","90","","99.316","0.004","90","","5170.9","0.4","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C26 H28 Co N4 O6 -","- C26.002 H28.004 Co N4 O6 -","- C208.016 H224.032 Co8 N32 O48 -","8","1","","Hu, Ju-Meng; Blatov, Vladislav A.; Yu, Baoyi; Van Hecke, Kristof; Cui, Guang-Hua","An unprecedented ""strongly"" self-catenated MOF containing inclined catenated honeycomb-like units.","Dalton transactions (Cambridge, England : 2003)","2016","45","6","2426","2429","10.1039/c5dt04679c","","","0.71073","MoKα","","0.0976","0.0632","","","0.1565","0.1789","","","","","","1.086","","","","has coordinates,has disorder","177816","2020-10-21","18:00:00",""
"7037910","9.674","0.004","12.171","0.005","13.45","0.005","98.037","0.006","91.768","0.006","101.969","0.004","1531.1","1.1","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C15 H16 N2 S2 -","- C15 H16 N2 S2 -","- C60 H64 N8 S8 -","4","2","","Gong, Dan-Ping; Chen, Jun-Feng; Zhao, Yue; Cao, Deng-Ke","Bisthienylethene Th2im and its complex (Th2imH)2[ReCl6]: crystalline-phase photochromism, and photochemical regulation of luminescence and magnetic properties.","Dalton transactions (Cambridge, England : 2003)","2016","45","8","3443","3449","10.1039/c5dt04678e","","","0.71073","MoKα","","0.1378","0.0647","","","0.1522","0.1802","","","","","","1.063","","","","has coordinates","177830","2020-10-21","18:00:00",""
"7037911","8.888","0.003","10.355","0.003","10.532","0.004","101.349","0.004","106.929","0.004","93.294","0.004","902.3","0.5","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C30 H34 Cl6 N4 Re S4 -","- C30 H34 Cl6 N4 Re S4 -","- C30 H34 Cl6 N4 Re S4 -","1","0.5","","Gong, Dan-Ping; Chen, Jun-Feng; Zhao, Yue; Cao, Deng-Ke","Bisthienylethene Th2im and its complex (Th2imH)2[ReCl6]: crystalline-phase photochromism, and photochemical regulation of luminescence and magnetic properties.","Dalton transactions (Cambridge, England : 2003)","2016","45","8","3443","3449","10.1039/c5dt04678e","","","0.71073","MoKα","","0.0308","0.0307","","","0.0829","0.0831","","","","","","1.062","","","","has coordinates","177830","2020-10-21","18:00:00",""
"7037912","15.9217","0.0003","6.07159","0.00011","23.7095","0.0005","90","","92.1815","0.0009","90","","2290.34","0.08","296","","296","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C24 H20 Cu F2 N2 O5 -","- C24 H20 Cu F2 N2 O5 -","- C96 H80 Cu4 F8 N8 O20 -","4","0.5","","Takahashi, Kiyonori; Hoshino, Norihisa; Takeda, Takashi; Satomi, Koichiro; Suzuki, Yasutaka; Noro, Shin-Ichiro; Nakamura, Takayoshi; Kawamata, Jun; Akutagawa, Tomoyuki","The crystal design of polar one-dimensional hydrogen-bonded copper coordination complexes.","Dalton transactions (Cambridge, England : 2003)","2016","45","8","3398","3406","10.1039/c5dt04865f","","","1.54187","CuKα","","","0.0515","","","","0.1486","","","","","","1.079","","","","has coordinates","177831","2020-10-21","18:00:00",""
"7037913","15.8329","0.0004","5.82472","0.00013","14.7176","0.0003","90","","122.072","0.0009","90","","1150.14","0.05","100","","100","","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C24 H20 Cl2 Cu N2 O5 -","- C24 H20 Cl2 Cu N2 O5 -","- C48 H40 Cl4 Cu2 N4 O10 -","2","0.5","","Takahashi, Kiyonori; Hoshino, Norihisa; Takeda, Takashi; Satomi, Koichiro; Suzuki, Yasutaka; Noro, Shin-Ichiro; Nakamura, Takayoshi; Kawamata, Jun; Akutagawa, Tomoyuki","The crystal design of polar one-dimensional hydrogen-bonded copper coordination complexes.","Dalton transactions (Cambridge, England : 2003)","2016","45","8","3398","3406","10.1039/c5dt04865f","","","1.54187","CuKα","","","0.0445","","","","0.1125","","","","","","1.096","","","","has coordinates","177831","2020-10-21","18:00:00",""
"7037914","15.81","0.0003","5.83189","0.00011","14.816","0.0003","90","","121.1","0.0008","90","","1169.71","0.04","100","","100","","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C24 H20 Br2 Cu N2 O5 -","- C24 H20 Br2 Cu N2 O5 -","- C48 H40 Br4 Cu2 N4 O10 -","2","0.5","","Takahashi, Kiyonori; Hoshino, Norihisa; Takeda, Takashi; Satomi, Koichiro; Suzuki, Yasutaka; Noro, Shin-Ichiro; Nakamura, Takayoshi; Kawamata, Jun; Akutagawa, Tomoyuki","The crystal design of polar one-dimensional hydrogen-bonded copper coordination complexes.","Dalton transactions (Cambridge, England : 2003)","2016","45","8","3398","3406","10.1039/c5dt04865f","","","1.54187","CuKα","","","0.0442","","","","0.108","","","","","","1.113","","","","has coordinates","177831","2020-10-21","18:00:00",""
"7037915","15.4024","0.0007","5.8321","0.0003","15.4255","0.0007","90","","118.75","0.004","90","","1214.83","0.11","100","","100","","","","","","","","","6","I 1 2 1","I 2y","5","","","","- C24 H20 Cu I2 N2 O5 -","- C24 H20 Cu I2 N2 O5 -","- C48 H40 Cu2 I4 N4 O10 -","2","0.5","","Takahashi, Kiyonori; Hoshino, Norihisa; Takeda, Takashi; Satomi, Koichiro; Suzuki, Yasutaka; Noro, Shin-Ichiro; Nakamura, Takayoshi; Kawamata, Jun; Akutagawa, Tomoyuki","The crystal design of polar one-dimensional hydrogen-bonded copper coordination complexes.","Dalton transactions (Cambridge, England : 2003)","2016","45","8","3398","3406","10.1039/c5dt04865f","","","1.54187","CuKα","","0.1096","0.0945","","","0.2231","0.2522","","","","","","1.081","","","","has coordinates","177831","2020-10-21","18:00:00",""
"7037916","15.5909","0.0008","6.0458","0.0004","25.4","0.0014","90","","90.28","0.003","90","","2394.2","0.2","223","","223","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C26 H26 Cu N2 O5 -","- C26 H26 Cu N2 O5 -","- C104 H104 Cu4 N8 O20 -","4","0.5","","Takahashi, Kiyonori; Hoshino, Norihisa; Takeda, Takashi; Satomi, Koichiro; Suzuki, Yasutaka; Noro, Shin-Ichiro; Nakamura, Takayoshi; Kawamata, Jun; Akutagawa, Tomoyuki","The crystal design of polar one-dimensional hydrogen-bonded copper coordination complexes.","Dalton transactions (Cambridge, England : 2003)","2016","45","8","3398","3406","10.1039/c5dt04865f","","","1.54187","CuKα","","","0.0736","","","","0.223","","","","","","1.071","","","","has coordinates","177831","2020-10-21","18:00:00",""
"7037917","14.9535","0.0003","6.02142","0.00011","15.2932","0.0003","90","","116.885","0.001","90","","1228.19","0.04","223","","223","","","","","","","","","5","I 1 2 1","I 2y","5","","","","- C26 H26 Cu N2 O7 -","- C26 H26 Cu N2 O7 -","- C52 H52 Cu2 N4 O14 -","2","0.5","","Takahashi, Kiyonori; Hoshino, Norihisa; Takeda, Takashi; Satomi, Koichiro; Suzuki, Yasutaka; Noro, Shin-Ichiro; Nakamura, Takayoshi; Kawamata, Jun; Akutagawa, Tomoyuki","The crystal design of polar one-dimensional hydrogen-bonded copper coordination complexes.","Dalton transactions (Cambridge, England : 2003)","2016","45","8","3398","3406","10.1039/c5dt04865f","","","1.54187","CuKα","","","0.0256","","","","0.0676","","","","","","1.075","","","","has coordinates","177831","2020-10-21","18:00:00",""
"7037918","10.3795","0.0007","14.1058","0.0009","17.8623","0.0011","90","","92.036","0.001","90","","2613.6","0.3","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C30 H22 N2 Ni O6 S -","- C30 H22 N2 Ni O6 S -","- C120 H88 N8 Ni4 O24 S4 -","4","1","","Zhang, Ming-Dao; Zheng, Bao-Hui; Chen, Liang; Chen, Min-Dong; Tao, Tao; Chen, Kai; Cao, Hui","Architectures and DFT calculations of polyrotaxane MOFs with nanoscale macrocycles.","Dalton transactions (Cambridge, England : 2003)","2016","45","8","3334","3339","10.1039/c5dt04462f","","","0.71073","MoKα","","0.0532","0.0413","","","0.1209","0.1252","","","","","","0.996","","","","has coordinates","177835","2020-10-21","18:00:00",""
"7037919","8.2321","0.001","10.6749","0.0013","14.4681","0.0017","68.662","0.002","87.955","0.002","72.429","0.002","1125.1","0.2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C26 H16 N2 O4 S Zn -","- C26 H16 N2 O4 S Zn -","- C52 H32 N4 O8 S2 Zn2 -","2","1","","Zhang, Ming-Dao; Zheng, Bao-Hui; Chen, Liang; Chen, Min-Dong; Tao, Tao; Chen, Kai; Cao, Hui","Architectures and DFT calculations of polyrotaxane MOFs with nanoscale macrocycles.","Dalton transactions (Cambridge, England : 2003)","2016","45","8","3334","3339","10.1039/c5dt04462f","","","0.71073","MoKα","","0.0764","0.067","","","0.1753","0.1819","","","","","","1.002","","","","has coordinates","177835","2020-10-21","18:00:00",""
"7037920","32.8261","0.0003","32.8261","0.0003","32.8261","0.0003","90","","90","","90","","35371.9","0.6","150","2","150","2","","","","","","","","5","I -4 3 d","I -4bd 2c 3","220","","","","- C48 H27 Eu N27 O3 -","- C48 H27 Eu N27 O3 -","- C768 H432 Eu16 N432 O48 -","16","0.333333","","Di Pietro, Sebastiano; Gautier, Nicholas; Imbert, Daniel; Pécaut, Jacques; Mazzanti, Marinella","Versatile pyridine-2,6-bis-tetrazolate scaffolds for the formation of highly luminescent lanthanide complexes.","Dalton transactions (Cambridge, England : 2003)","2016","45","8","3429","3442","10.1039/c5dt04811g","","","0.71073","MoKα","","0.1059","0.0543","","","0.1118","0.1265","","","","","","0.912","","","","has coordinates","177847","2020-10-21","18:00:00",""
"7037921","6.7773","0.0005","20.7006","0.0016","8.3965","0.0007","90","","91.211","0.001","90","","1177.72","0.16","150","2","150.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C11 H7 Cu N9 -","- C11 H7 Cu N9 -","- C44 H28 Cu4 N36 -","4","1","","Tsao, Jung-Yu; Tsai, Jia-Dong; Yang, Chen-I","Azide-bridged Cu(ii), Mn(ii) and Co(ii) coordination polymers constructed with a bifunctional ligand of 6-(1H-tetrazol-5-yl)-2,2'-bipyridine.","Dalton transactions (Cambridge, England : 2003)","2016","45","8","3388","3397","10.1039/c5dt04773k","","","0.71073","MoKα","","0.0427","0.0406","","","0.119","0.1213","","","","","","1.109","","","","has coordinates","177850","2020-10-21","18:00:00",""
"7037922","8.9867","0.0007","14.7912","0.0011","17.9613","0.0013","90","","90","","90","","2387.5","0.3","150","2","150.15","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C11 H7 Mn N9 -","- C11 H7 Mn N9 -","- C88 H56 Mn8 N72 -","8","1","","Tsao, Jung-Yu; Tsai, Jia-Dong; Yang, Chen-I","Azide-bridged Cu(ii), Mn(ii) and Co(ii) coordination polymers constructed with a bifunctional ligand of 6-(1H-tetrazol-5-yl)-2,2'-bipyridine.","Dalton transactions (Cambridge, England : 2003)","2016","45","8","3388","3397","10.1039/c5dt04773k","","","0.71073","MoKα","","0.0386","0.037","","","0.084","0.0845","","","","","","1.251","","","","has coordinates","177850","2020-10-21","18:00:00",""
"7037923","10.7778","0.0008","12.1999","0.0009","9.5936","0.0007","90","","110.463","0.001","90","","1181.84","0.15","150","2","150.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C11 H7 Co N9 -","- C11 H7 Co N9 -","- C44 H28 Co4 N36 -","4","1","","Tsao, Jung-Yu; Tsai, Jia-Dong; Yang, Chen-I","Azide-bridged Cu(ii), Mn(ii) and Co(ii) coordination polymers constructed with a bifunctional ligand of 6-(1H-tetrazol-5-yl)-2,2'-bipyridine.","Dalton transactions (Cambridge, England : 2003)","2016","45","8","3388","3397","10.1039/c5dt04773k","","","0.71073","MoKα","","0.0276","0.0238","","","0.0578","0.0596","","","","","","1.055","","","","has coordinates","177850","2020-10-21","18:00:00",""
"7037924","11.17662","0.00006","11.17662","","11.17662","","90","","90","","90","","1396.15","0.007","","","","","","","","","","","","4","F m -3 m","-F 4 2 3","225","","","","- La6.77 O13.72 W1.2 Zr0.03 -","- La6.7696 O13.7232 W1.204 Zr0.0264 -","- La27.0784 O54.8928 W4.816 Zr0.1056 -","4","0.0208333","","Porras-Vázquez, José Manuel; dos Santos_Gómez, Lucía; Marrero-López, David; Slater, Peter; Masó, Nahum; Magrasó, Anna; Losilla, Enrique R. R.","Effect of tri- and tetravalent metal doping on the electrochemical properties of lanthanum tungstate proton conductors","Dalton Trans.","2016","","","","","10.1039/C5DT03833B","powder diffraction","","","","","","","","","","","","","2.77","","","","","","","has coordinates","174363","2020-10-21","18:00:00",""
"7037925","11.18319","0.00005","11.18319","","11.18319","","90","","90","","90","","1398.61","0.006","","","","","","","","","","","","4","F m -3 m","-F 4 2 3","225","","","","- La6.77 O13.78 W1.16 Zr0.07 -","- La6.7696 O13.7816 W1.1632 Zr0.0672 -","- La27.0784 O55.1264 W4.6528 Zr0.2688 -","4","0.0208333","","Porras-Vázquez, José Manuel; dos Santos_Gómez, Lucía; Marrero-López, David; Slater, Peter; Masó, Nahum; Magrasó, Anna; Losilla, Enrique R. R.","Effect of tri- and tetravalent metal doping on the electrochemical properties of lanthanum tungstate proton conductors","Dalton Trans.","2016","","","","","10.1039/C5DT03833B","powder diffraction","","","","","","","","","","","","","2.52","","","","","","","has coordinates","174364","2020-10-21","18:00:00",""
"7037926","11.17723","0.00006","11.17723","","11.17723","","90","","90","","90","","1396.38","0.007","","","","","","","","","","","","4","F m -3 m","-F 4 2 3","225","","","","- La6.77 O13.78 Ti0.07 W1.16 -","- La6.7696 O13.781 Ti0.06804 W1.16236 -","- La27.0784 O55.1238 Ti0.27216 W4.64944 -","4","0.0208333","","Porras-Vázquez, José Manuel; dos Santos_Gómez, Lucía; Marrero-López, David; Slater, Peter; Masó, Nahum; Magrasó, Anna; Losilla, Enrique R. R.","Effect of tri- and tetravalent metal doping on the electrochemical properties of lanthanum tungstate proton conductors","Dalton Trans.","2016","","","","","10.1039/C5DT03833B","powder diffraction","","","","","","","","","","","","","2.77","","","","","","","has coordinates","174365","2020-10-21","18:00:00",""
"7037927","11.17886","0.00006","11.17886","","11.17886","","90","","90","","90","","1396.99","0.007","","","","","","","","","","","","4","F m -3 m","-F 4 2 3","225","","","","- La6.77 O13.72 Ti0.12 W1.11 -","- La6.7696 O13.7232 Ti0.1212 W1.1104 -","- La27.0784 O54.8928 Ti0.4848 W4.4416 -","4","0.0208333","","Porras-Vázquez, José Manuel; dos Santos_Gómez, Lucía; Marrero-López, David; Slater, Peter; Masó, Nahum; Magrasó, Anna; Losilla, Enrique R. R.","Effect of tri- and tetravalent metal doping on the electrochemical properties of lanthanum tungstate proton conductors","Dalton Trans.","2016","","","","","10.1039/C5DT03833B","powder diffraction","","","","","","","","","","","","","3.73","","","","","","","has coordinates","174366","2020-10-21","18:00:00",""
"7037928","13.508","0.004","15.37","0.004","16.789","0.004","80.705","0.01","79.56","0.011","89.233","0.011","3382.5","1.6","200","2","200","2","","","","","","","","8","P -1","-P 1","2","","","","- C35 H26.67 Ag2 F6 N4.67 O6.33 Pt2 S6 -","- C35.3333 H24 Ag2 F6 N4.66667 O6.33333 Pt2 S6 -","- C106 H72 Ag6 F18 N14 O19 Pt6 S18 -","3","1.5","","Moussa, Jamal; Chamoreau, Lise Marie; Gullo, Maria Pia; Degli Esposti, Alessandra; Barbieri, Andrea; Amouri, Hani","Induced phosphorescence from Pt →Ag and Ag(i)Ag(i) metallophilic interactions in benzenedithiolatodiimine-Pt2/Ag2 clusters: a combined experimental and theoretical investigation.","Dalton transactions (Cambridge, England : 2003)","2016","45","7","2906","2913","10.1039/c5dt03702f","","","0.71073","MoKα","","0.0707","0.0533","","","0.1217","0.1362","","","","","","1.06","","","","has coordinates,has disorder","177778","2020-10-21","18:00:00",""
"7037929","8.7273","0.0009","9.6573","0.001","9.3479","0.0009","90","","106.287","0.004","90","","756.24","0.13","100","2","100","2","","","","","","","","5","P 1 c 1","P -2yc","7","","","","- C16 H14 N P S2 -","- C16 H14 N P S2 -","- C32 H28 N2 P2 S4 -","2","1","","Begum, I.; Schnakenburg, G.; Streubel, R.","Synthesis and reactions of C-phosphanylated thiazol-2-thiones.","Dalton transactions (Cambridge, England : 2003)","2016","45","7","2955","2962","10.1039/c5dt03662c","","","0.71073","MoKα","","0.02","0.0192","","","0.0489","0.0493","","","","","","1.048","","","","has coordinates","177781","2020-10-21","18:00:00",""
"7037930","9.9952","0.0005","13.8074","0.0004","14.1857","0.0006","107.357","0.002","104.864","0.002","94.068","0.002","1782.84","0.13","123","2","123","2","","","","","","","","6","P -1","-P 1","2","","","","- C71 H64 N4 P4 S8 Se4 -","- C71 H64 N4 P4 S8 Se4 -","- C71 H64 N4 P4 S8 Se4 -","1","0.5","","Begum, I.; Schnakenburg, G.; Streubel, R.","Synthesis and reactions of C-phosphanylated thiazol-2-thiones.","Dalton transactions (Cambridge, England : 2003)","2016","45","7","2955","2962","10.1039/c5dt03662c","","","0.71073","MoKα","","0.0571","0.0334","","","0.0613","0.0658","","","","","","0.921","","","","has coordinates,has disorder","177781","2020-10-21","18:00:00",""
"7037931","14.358","0.003","8.8787","0.0015","12.973","0.002","90","","101.891","0.007","90","","1618.3","0.5","123","2","123","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H14 N P S3 -","- C16 H14 N P S3 -","- C64 H56 N4 P4 S12 -","4","1","","Begum, I.; Schnakenburg, G.; Streubel, R.","Synthesis and reactions of C-phosphanylated thiazol-2-thiones.","Dalton transactions (Cambridge, England : 2003)","2016","45","7","2955","2962","10.1039/c5dt03662c","","","0.71073","MoKα","","0.0548","0.0385","","","0.0859","0.097","","","","","","1.165","","","","has coordinates","177781","2020-10-21","18:00:00",""
"7037932","8.9328","0.0004","16.3881","0.001","12.0195","0.0006","90","","119.457","0.003","90","","1532.09","0.15","123","2","123","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C16 H14 N O P S2 -","- C16 H14 N O P S2 -","- C64 H56 N4 O4 P4 S8 -","4","1","","Begum, I.; Schnakenburg, G.; Streubel, R.","Synthesis and reactions of C-phosphanylated thiazol-2-thiones.","Dalton transactions (Cambridge, England : 2003)","2016","45","7","2955","2962","10.1039/c5dt03662c","","","0.71073","MoKα","","0.0418","0.0297","","","0.0747","0.0781","","","","","","1.036","","","","has coordinates","177781","2020-10-21","18:00:00",""
"7037933","8.3334","0.0007","13.5214","0.001","30.503","0.003","90","","90","","90","","3437.1","0.5","123","","123.15","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","IB-26","","- C16 H16 N O5 P S2 -","- C16 H16 N O5 P S2 -","- C128 H128 N8 O40 P8 S16 -","8","1","","Begum, I.; Schnakenburg, G.; Streubel, R.","Synthesis and reactions of C-phosphanylated thiazol-2-thiones.","Dalton transactions (Cambridge, England : 2003)","2016","45","7","2955","2962","10.1039/c5dt03662c","","","0.71073","MoKα","","0.0583","0.0425","","","0.0963","0.1047","","","","","","1.054","","","","has coordinates","177781","2020-10-21","18:00:00",""
"7037934","8.5858","0.0005","19.6165","0.0009","15.6007","0.001","90","","90","","90","","2627.5","0.3","123","2","123","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C31 H21 Cr O6 P -","- C31 H21 Cr O6 P -","- C124 H84 Cr4 O24 P4 -","4","1","","García, C Murcia; Ferao, A. Espinosa; Schnakenburg, G.; Streubel, R.","CPh3 as a functional group in P-heterocyclic chemistry: elimination of HCPh3 in the reaction of P-CPh3 substituted Li/Cl phosphinidenoid complexes with Ph2C[double bond, length as m-dash]O.","Dalton transactions (Cambridge, England : 2003)","2016","45","6","2378","2385","10.1039/c5dt04595a","","","0.71073","MoKα","","0.0816","0.0409","","","0.0495","0.0567","","","","","","0.623","","","","has coordinates","177806","2020-10-21","18:00:00",""
"7037935","8.6515","0.0003","15.6935","0.0004","19.977","0.0008","90","","90","","90","","2712.32","0.16","123","2","123","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C31 H21 Mo O6 P -","- C31 H21 Mo O6 P -","- C124 H84 Mo4 O24 P4 -","4","1","","García, C Murcia; Ferao, A. Espinosa; Schnakenburg, G.; Streubel, R.","CPh3 as a functional group in P-heterocyclic chemistry: elimination of HCPh3 in the reaction of P-CPh3 substituted Li/Cl phosphinidenoid complexes with Ph2C[double bond, length as m-dash]O.","Dalton transactions (Cambridge, England : 2003)","2016","45","6","2378","2385","10.1039/c5dt04595a","","","0.71073","MoKα","","0.0646","0.0432","","","0.0549","0.0585","","","","","","0.84","","","","has coordinates","177806","2020-10-21","18:00:00",""
"7037936","13.286","0.008","18.409","0.009","23.093","0.01","90","","103.99","0.04","90","","5481","5","123","2","123","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C59 H44 Mo2 O13 P2 -","- C59 H44 Mo2 O13 P2 -","- C236 H176 Mo8 O52 P8 -","4","1","","García, C Murcia; Ferao, A. Espinosa; Schnakenburg, G.; Streubel, R.","CPh3 as a functional group in P-heterocyclic chemistry: elimination of HCPh3 in the reaction of P-CPh3 substituted Li/Cl phosphinidenoid complexes with Ph2C[double bond, length as m-dash]O.","Dalton transactions (Cambridge, England : 2003)","2016","45","6","2378","2385","10.1039/c5dt04595a","","","0.71073","MoKα","","0.1109","0.0492","","","0.0858","0.0985","","","","","","0.789","","","","has coordinates","177806","2020-10-21","18:00:00",""
"7037937","9.4174","0.0014","10.7473","0.0014","17.631","0.002","98.301","0.004","94.83","0.004","112.865","0.004","1607.6","0.4","123","","123.15","","","","","","","","","5","P -1","-P 1","2","","","","- C37 H25 O6 P W -","- C37 H25 O6 P W -","- C74 H50 O12 P2 W2 -","2","1","","García, C Murcia; Ferao, A. Espinosa; Schnakenburg, G.; Streubel, R.","CPh3 as a functional group in P-heterocyclic chemistry: elimination of HCPh3 in the reaction of P-CPh3 substituted Li/Cl phosphinidenoid complexes with Ph2C[double bond, length as m-dash]O.","Dalton transactions (Cambridge, England : 2003)","2016","45","6","2378","2385","10.1039/c5dt04595a","","","0.71073","MoKα","","0.0893","0.0498","","","0.0702","0.0809","","","","","","0.962","","","","has coordinates","177806","2020-10-21","18:00:00",""
"7037938","9.9057","0.0007","7.2983","0.0005","17.7434","0.0013","90","","92.139","0.002","90","","1281.86","0.16","100","2","99.99","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C22 H44 Cl2 N2 P2 Pt -","- C22 H44 Cl2 N2 P2 Pt -","- C44 H88 Cl4 N4 P4 Pt2 -","2","0.5","","Haddow, Mairi F.; Jaltai, Judit; Hanton, Martin; Pringle, Paul G.; Rush, Laura E.; Sparkes, Hazel A.; Woodall, Christopher H.","Aminophobanes: hydrolytic stability, tautomerism and application in Cr-catalysed ethene oligomerisation.","Dalton transactions (Cambridge, England : 2003)","2016","45","5","2294","2307","10.1039/c5dt04394h","","","0.71073","MoKα","","0.0357","0.0304","","","0.0717","0.0745","","","","","","1.078","","","","has coordinates","176097","2020-10-21","18:00:00",""
"7037939","9.5739","0.0002","12.2783","0.0002","13.2759","0.0002","69.267","0.001","89.137","0.001","71.601","0.001","1376.68","0.04","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C26 H44 Cr N2 O4 P2 -","- C26 H44 Cr N2 O4 P2 -","- C52 H88 Cr2 N4 O8 P4 -","2","1","","Haddow, Mairi F.; Jaltai, Judit; Hanton, Martin; Pringle, Paul G.; Rush, Laura E.; Sparkes, Hazel A.; Woodall, Christopher H.","Aminophobanes: hydrolytic stability, tautomerism and application in Cr-catalysed ethene oligomerisation.","Dalton transactions (Cambridge, England : 2003)","2016","45","5","2294","2307","10.1039/c5dt04394h","","","0.71073","MoKα","","0.0332","0.0282","","","0.0745","0.0777","","","","","","1.055","","","","has coordinates","211332","2020-10-21","18:00:00",""
"7037940","9.448","0.004","9.493","0.005","10.788","0.005","109.19","0.01","107.174","0.009","93.167","0.015","860.5","0.7","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C30 H60 Cl2 N2 P2 Pt -","- C30 H60 Cl2 N2 P2 Pt -","- C30 H60 Cl2 N2 P2 Pt -","1","0.5","","Haddow, Mairi F.; Jaltai, Judit; Hanton, Martin; Pringle, Paul G.; Rush, Laura E.; Sparkes, Hazel A.; Woodall, Christopher H.","Aminophobanes: hydrolytic stability, tautomerism and application in Cr-catalysed ethene oligomerisation.","Dalton transactions (Cambridge, England : 2003)","2016","45","5","2294","2307","10.1039/c5dt04394h","","","0.71073","MoKα","","0.0167","0.0167","","","0.0426","0.0426","","","","","","1.075","","","","has coordinates","176097","2020-10-21","18:00:00",""
"7037941","21.9631","0.0006","27.7581","0.0008","17.7763","0.0005","90","","90","","90","","10837.4","0.5","100","2","100","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C27 H49 Cl8 N P2 Pt -","- C27 H49 Cl7.9999 N P2 Pt -","- C324 H588 Cl95.9988 N12 P24 Pt12 -","12","3","","Haddow, Mairi F.; Jaltai, Judit; Hanton, Martin; Pringle, Paul G.; Rush, Laura E.; Sparkes, Hazel A.; Woodall, Christopher H.","Aminophobanes: hydrolytic stability, tautomerism and application in Cr-catalysed ethene oligomerisation.","Dalton transactions (Cambridge, England : 2003)","2016","45","5","2294","2307","10.1039/c5dt04394h","","","0.71073","MoKα","","0.0844","0.0558","","","0.1333","0.1549","","","","","","1.087","","","","has coordinates,has disorder","176097","2020-10-21","18:00:00",""
"7037942","16.7268","0.0003","16.7268","0.0003","17.0407","0.0004","90","","90","","120","","4128.99","0.14","100","2","100","","","","","","","","","6","P 65","P 65","170","","","","- C19.5 H37 Cl6 N P2 Pt -","- C19.5 H37 Cl6 N P2 Pt -","- C117 H222 Cl36 N6 P12 Pt6 -","6","1","","Haddow, Mairi F.; Jaltai, Judit; Hanton, Martin; Pringle, Paul G.; Rush, Laura E.; Sparkes, Hazel A.; Woodall, Christopher H.","Aminophobanes: hydrolytic stability, tautomerism and application in Cr-catalysed ethene oligomerisation.","Dalton transactions (Cambridge, England : 2003)","2016","45","5","2294","2307","10.1039/c5dt04394h","","x-ray","0.71074","MoKα","","0.0367","0.0278","","","0.0668","0.0909","","","","","","1.155","","","","has coordinates,has disorder","176097","2020-10-21","18:00:00",""
"7037943","11.964","0.0003","12.5989","0.0004","13.8207","0.0004","90","","112.213","0.001","90","","1928.63","0.1","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C17 H31 Cl2 N P2 Pd -","- C17 H31 Cl2 N P2 Pd -","- C68 H124 Cl8 N4 P8 Pd4 -","4","1","","Haddow, Mairi F.; Jaltai, Judit; Hanton, Martin; Pringle, Paul G.; Rush, Laura E.; Sparkes, Hazel A.; Woodall, Christopher H.","Aminophobanes: hydrolytic stability, tautomerism and application in Cr-catalysed ethene oligomerisation.","Dalton transactions (Cambridge, England : 2003)","2016","45","5","2294","2307","10.1039/c5dt04394h","","","0.71073","MoKα","","0.0198","0.0178","","","0.0446","0.0458","","","","","","1.04","","","","has coordinates,has disorder","176097","2020-10-21","18:00:00",""
"7037944","16.8271","0.0008","8.513","0.0004","15.6725","0.0008","90","","100.569","0.002","90","","2206.98","0.19","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C23 H32 Cl N P2 -","- C23 H32 Cl N P2 -","- C92 H128 Cl4 N4 P8 -","4","1","","Haddow, Mairi F.; Jaltai, Judit; Hanton, Martin; Pringle, Paul G.; Rush, Laura E.; Sparkes, Hazel A.; Woodall, Christopher H.","Aminophobanes: hydrolytic stability, tautomerism and application in Cr-catalysed ethene oligomerisation.","Dalton transactions (Cambridge, England : 2003)","2016","45","5","2294","2307","10.1039/c5dt04394h","","","0.71073","MoKα","","0.03","0.0277","","","0.0707","0.0724","","","","","","1.034","","","","has coordinates","176097","2020-10-21","18:00:00",""
"7037945","11.5207","0.0003","13.1975","0.0005","16.7912","0.0006","90","","106.502","0.002","90","","2447.85","0.14","120","2","120","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C25 H27 Cr N O4 P2 -","- C25 H27 Cr N O4 P2 -","- C100 H108 Cr4 N4 O16 P8 -","4","1","","Haddow, Mairi F.; Jaltai, Judit; Hanton, Martin; Pringle, Paul G.; Rush, Laura E.; Sparkes, Hazel A.; Woodall, Christopher H.","Aminophobanes: hydrolytic stability, tautomerism and application in Cr-catalysed ethene oligomerisation.","Dalton transactions (Cambridge, England : 2003)","2016","45","5","2294","2307","10.1039/c5dt04394h","","","0.71073","MoKα","","0.1546","0.0979","","","0.167","0.194","","","","","","1.082","","","","has coordinates","176097","2020-10-21","18:00:00",""
"7037946","10.0549","0.0001","10.8831","0.0002","23.6863","0.0004","90","","90","","90","","2591.96","0.07","120","2","120","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C27 H31 Cr N O4 P2 -","- C27 H31 Cr N O4 P2 -","- C108 H124 Cr4 N4 O16 P8 -","4","1","","Haddow, Mairi F.; Jaltai, Judit; Hanton, Martin; Pringle, Paul G.; Rush, Laura E.; Sparkes, Hazel A.; Woodall, Christopher H.","Aminophobanes: hydrolytic stability, tautomerism and application in Cr-catalysed ethene oligomerisation.","Dalton transactions (Cambridge, England : 2003)","2016","45","5","2294","2307","10.1039/c5dt04394h","","x-ray","0.71073","MoKα","","0.0404","0.0328","","","0.0712","0.0742","","","","","","1.041","","","","has coordinates","176097","2020-10-21","18:00:00",""
"7037947","7.7686","0.0003","15.4411","0.0005","19.4703","0.0007","90","","93.165","0.002","90","","2332.01","0.14","150","2","150","1","","","","","","","synthesized by the authors","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H38 N6 O9 -","- C19 H38 N6 O9 -","- C76 H152 N24 O36 -","4","1","","Krchová, T; Gálisová, A; Jirák, D; Hermann, P.; Kotek, J.","Ln(iii)-complexes of a DOTA analogue with an ethylenediamine pendant arm as pH-responsive PARACEST contrast agents.","Dalton transactions (Cambridge, England : 2003)","2016","45","8","3486","3496","10.1039/c5dt04443j","","","0.71073","MoKα","","0.0761","0.0596","","","0.161","0.1757","","","","","","1.031","","","","has coordinates,has disorder","177849","2020-10-21","18:00:00",""
"7037948","11.647","0.0006","12.1871","0.0005","13.4363","0.0005","76.108","0.003","89.564","0.004","61.569","0.005","1615.34","0.15","170","2","170","2","","","","","","","","5","P -1","-P 1","2","","(?5-pentamethylcyclopentadienyl){(N1-(7-chloroquinolin-4-yl)-N2-(pyridin-2-ylmethyl)ethane-1,2-diamine)}chlororhodium(III) chloride","","- C28.5 H35 Cl6 N4 Rh -","- C28.5 H35 Cl6 N4 Rh -","- C57 H70 Cl12 N8 Rh2 -","2","1","","Ekengard, Erik; Kumar, Kamlesh; Fogeron, Thibault; de Kock, Carmen; Smith, Peter J.; Haukka, Matti; Monari, Magda; Nordlander, Ebbe","Pentamethylcyclopentadienyl-rhodium and iridium complexes containing (N^N and N^O) bound chloroquine analogue ligands: synthesis, characterization and antimalarial properties.","Dalton transactions (Cambridge, England : 2003)","2016","45","9","3905","3917","10.1039/c5dt03739e","","","0.71073","MoKα","","0.0468","0.0409","","","0.0974","0.103","","","","","","1.036","","","","has coordinates,has disorder","177855","2020-10-21","18:00:00",""
"7037949","11.5226","0.001","11.8","0.0009","12.6405","0.0008","92.389","0.006","98.09","0.006","118.661","0.008","1481.3","0.2","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","(?5-pentamethylcyclopentadienyl){ (N1-(7-chloroquinolin-4-yl)-N2-(pyridin-2-ylmethylene)ethane-1,2-diamine)}chloroiridium(III) chloride","","- C27 H36 Cl3 Ir N4 O3 -","- C27 H36 Cl3 Ir N4 O3 -","- C54 H72 Cl6 Ir2 N8 O6 -","2","1","","Ekengard, Erik; Kumar, Kamlesh; Fogeron, Thibault; de Kock, Carmen; Smith, Peter J.; Haukka, Matti; Monari, Magda; Nordlander, Ebbe","Pentamethylcyclopentadienyl-rhodium and iridium complexes containing (N^N and N^O) bound chloroquine analogue ligands: synthesis, characterization and antimalarial properties.","Dalton transactions (Cambridge, England : 2003)","2016","45","9","3905","3917","10.1039/c5dt03739e","","","0.71073","MoKα","","0.0607","0.0395","","","0.0603","0.0649","","","","","","0.966","","","","has coordinates,has disorder","177855","2020-10-21","18:00:00",""
"7037950","12.3489","0.0002","13.4149","0.0002","18.5804","0.0003","90","","99.424","0.001","90","","3036.47","0.08","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","(?5-pentamethylcyclopentadienyl){(4-chloro-2-(((2-((7-chloroquinolin-4-yl)amino)ethyl)imino)methyl)phenolate)}chlororhodium(III) chloride","","- C29 H31 Cl5 N3 O Rh -","- C29 H31 Cl5 N3 O Rh -","- C116 H124 Cl20 N12 O4 Rh4 -","4","1","","Ekengard, Erik; Kumar, Kamlesh; Fogeron, Thibault; de Kock, Carmen; Smith, Peter J.; Haukka, Matti; Monari, Magda; Nordlander, Ebbe","Pentamethylcyclopentadienyl-rhodium and iridium complexes containing (N^N and N^O) bound chloroquine analogue ligands: synthesis, characterization and antimalarial properties.","Dalton transactions (Cambridge, England : 2003)","2016","45","9","3905","3917","10.1039/c5dt03739e","","","0.71073","MoKα","","0.0634","0.0368","","","0.0824","0.0971","","","","","","0.974","","","","has coordinates,has disorder","177855","2020-10-21","18:00:00",""
"7037951","8.5829","0.0011","10.4134","0.0011","15.2859","0.0016","90","","98.844","0.01","90","","1350","0.3","100.01","0.1","100.01","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C10 H14 Cl4 N2 Pt -","- C10 H14 Cl4 N2 Pt -","- C40 H56 Cl16 N8 Pt4 -","4","1","","Karmakar, Subhendu; Purkait, Kallol; Chatterjee, Saptarshi; Mukherjee, Arindam","Anticancer activity of a cis-dichloridoplatinum(ii) complex of a chelating nitrogen mustard: insight into unusual guanine binding mode and low deactivation by glutathione.","Dalton transactions (Cambridge, England : 2003)","2016","45","8","3599","3615","10.1039/c5dt04459f","","x-ray","0.71073","MoKα","","0.0391","0.0326","","","0.0665","0.0712","","","","","","1.008","","","","has coordinates","177844","2020-10-21","18:00:00",""
"7037952","12.854","0.002","11.2524","0.0013","15.806","0.004","90","","109.355","0.016","90","","2156.9","0.7","90","2","90","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C16 H30 Cl3 Cu N4 -","- C16 H30 Cl3 Cu N4 -","- C64 H120 Cl12 Cu4 N16 -","4","2","","Zürner, Philipp; Schmidt, Horst; Bette, Sebastian; Wagler, Jörg; Frisch, Gero","Ionic liquid, glass or crystalline solid? Structures and thermal behaviour of (C4mim)2CuCl3.","Dalton transactions (Cambridge, England : 2003)","2016","45","8","3327","3333","10.1039/c5dt03772g","","","0.71073","MoKα","","0.0372","0.0329","","","0.0802","0.0836","","","","","","1.049","","","","has coordinates,has disorder","177823","2020-10-21","18:00:00",""
"7037953","12.983","0.004","11.352","0.003","15.982","0.005","90","","110.11","0.03","90","","2211.9","1.2","213","2","213","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C16 H30 Cl3 Cu N4 -","- C16 H30 Cl3 Cu N4 -","- C64 H120 Cl12 Cu4 N16 -","4","1","","Zürner, Philipp; Schmidt, Horst; Bette, Sebastian; Wagler, Jörg; Frisch, Gero","Ionic liquid, glass or crystalline solid? Structures and thermal behaviour of (C4mim)2CuCl3.","Dalton transactions (Cambridge, England : 2003)","2016","45","8","3327","3333","10.1039/c5dt03772g","","","0.71073","MoKα","","0.0727","0.0481","","","0.1096","0.1307","","","","","","1.142","","","","has coordinates,has disorder","177823","2020-10-21","18:00:00",""
"7037954","12.99","0.006","11.404","0.004","8.386","0.004","90","","116.3","0.03","90","","1113.7","0.9","233","2","233","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C16 H30 Cl3 Cu N4 -","- C16 H30 Cl3 Cu N4 -","- C32 H60 Cl6 Cu2 N8 -","2","0.5","","Zürner, Philipp; Schmidt, Horst; Bette, Sebastian; Wagler, Jörg; Frisch, Gero","Ionic liquid, glass or crystalline solid? Structures and thermal behaviour of (C4mim)2CuCl3.","Dalton transactions (Cambridge, England : 2003)","2016","45","8","3327","3333","10.1039/c5dt03772g","","","0.71073","MoKα","","0.0627","0.048","","","0.0984","0.1108","","","","","","1.044","","","","has coordinates,has disorder","177823","2020-10-21","18:00:00",""
"7037955","8.0131","0.0016","11.455","0.002","15.705","0.003","86.68","0.03","84.63","0.03","73.35","0.03","1374.3","0.5","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C54 H24 Cu10 N18 O4 -","- C54 H24 Cu10 N18 O4 -","- C54 H24 Cu10 N18 O4 -","1","0.5","","Ma, Feng; Gao, Su-Mei; Wu, Meng-Meng; Zhao, Jiong-Peng; Liu, Fu-Chen; Li, Nai-Xuan","An unprecedented 2D copper(i)-cyanide complex with 20-membered metal rings: the effect of the co-ligand 4,5-diazafluoren-9-one.","Dalton transactions (Cambridge, England : 2003)","2016","45","7","2796","2799","10.1039/c5dt04771d","","","0.71073","MoKα","","0.0833","0.0504","","","0.0817","0.0893","","","","","","1.108","","","","has coordinates,has disorder","177779","2020-10-21","18:00:00",""
"7037956","7.1947","0.0002","8.3354","0.0002","13.4789","0.0003","86.273","0.002","78.908","0.002","73.161","0.003","759.19","0.04","110","1","110","1","","","","","","","","5","P -1","-P 1","2","","","","- C24 H42 N2 P2 Si4 -","- C24 H42 N2 P2 Si4 -","- C24 H42 N2 P2 Si4 -","1","0.5","","Sietzen, M.; Federmann, P.; Sonnenschein, C.; Wadepohl, H.; Ballmann, J.","Cyclometalated titanium and zirconium complexes stabilised by a new silylmethylene-linked tetradentate triamidophosphine.","Dalton transactions (Cambridge, England : 2003)","2016","45","7","3013","3023","10.1039/c5dt04561d","","x-ray","1.5418","CuKα","","0.0488","0.0446","","","0.1089","0.1112","","","","","","1.045","","","","has coordinates,has disorder","177783","2020-10-21","18:00:00",""
"7037957","12.4277","0.0002","13.1483","0.0002","14.8044","0.0003","106.964","0.0016","92.2955","0.0016","98.2181","0.0015","2281.51","0.07","110","1","110","1","","","","","","","","7","P -1","-P 1","2","","","","- C39 H63 Li3 N3 O6 P Si3 -","- C39 H63 Li3 N3 O6 P Si3 -","- C78 H126 Li6 N6 O12 P2 Si6 -","2","1","","Sietzen, M.; Federmann, P.; Sonnenschein, C.; Wadepohl, H.; Ballmann, J.","Cyclometalated titanium and zirconium complexes stabilised by a new silylmethylene-linked tetradentate triamidophosphine.","Dalton transactions (Cambridge, England : 2003)","2016","45","7","3013","3023","10.1039/c5dt04561d","","x-ray","1.5418","CuKα","","0.0773","0.0598","","","0.1485","0.1576","","","","","","1.024","","","","has coordinates,has disorder","177783","2020-10-21","18:00:00",""
"7037958","10.90658","0.0001","18.00949","0.00016","17.67069","0.00016","90","","101.844","0.0009","90","","3397.01","0.05","110","1","110","1","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C30.5 H43 Cl N3 P Si3 Ti -","- C30.5 H43 Cl N3 P Si3 Ti -","- C122 H172 Cl4 N12 P4 Si12 Ti4 -","4","1","","Sietzen, M.; Federmann, P.; Sonnenschein, C.; Wadepohl, H.; Ballmann, J.","Cyclometalated titanium and zirconium complexes stabilised by a new silylmethylene-linked tetradentate triamidophosphine.","Dalton transactions (Cambridge, England : 2003)","2016","45","7","3013","3023","10.1039/c5dt04561d","","x-ray","0.7107","MoKα","","0.0481","0.038","","","0.0914","0.0973","","","","","","1.028","","","","has coordinates,has disorder","177783","2020-10-21","18:00:00",""
"7037959","8.92072","0.00007","17.53308","0.00017","21.06985","0.00016","90","","101.866","0.0007","90","","3225.06","0.05","110","1","110","1","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C27 H39 Cl N3 P Si3 Zr -","- C27 H39 Cl N3 P Si3 Zr -","- C108 H156 Cl4 N12 P4 Si12 Zr4 -","4","1","","Sietzen, M.; Federmann, P.; Sonnenschein, C.; Wadepohl, H.; Ballmann, J.","Cyclometalated titanium and zirconium complexes stabilised by a new silylmethylene-linked tetradentate triamidophosphine.","Dalton transactions (Cambridge, England : 2003)","2016","45","7","3013","3023","10.1039/c5dt04561d","","x-ray","1.54184","CuKα","","0.0528","0.0489","","","0.112","0.1141","","","","","","1.14","","","","has coordinates","177783","2020-10-21","18:00:00",""
"7037960","10.51494","0.0001","15.79043","0.00015","20.4802","0.0002","90","","104.151","0.001","90","","3297.25","0.06","110","1","110","1","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C31 H46 N3 O P Si3 Zr -","- C31 H46 N3 O P Si3 Zr -","- C124 H184 N12 O4 P4 Si12 Zr4 -","4","1","","Sietzen, M.; Federmann, P.; Sonnenschein, C.; Wadepohl, H.; Ballmann, J.","Cyclometalated titanium and zirconium complexes stabilised by a new silylmethylene-linked tetradentate triamidophosphine.","Dalton transactions (Cambridge, England : 2003)","2016","45","7","3013","3023","10.1039/c5dt04561d","","x-ray","1.54184","CuKα","","0.0374","0.0323","","","0.0704","0.0723","","","","","","1.092","","","","has coordinates","177783","2020-10-21","18:00:00",""
"7037961","11.6","0.005","17.549","0.007","17.579","0.007","90","","109.041","0.013","90","","3383","2","100","2","100","1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C30 H47 N3 P2 Si3 Ti -","- C30 H47 N3 P2 Si3 Ti -","- C120 H188 N12 P8 Si12 Ti4 -","4","1","","Sietzen, M.; Federmann, P.; Sonnenschein, C.; Wadepohl, H.; Ballmann, J.","Cyclometalated titanium and zirconium complexes stabilised by a new silylmethylene-linked tetradentate triamidophosphine.","Dalton transactions (Cambridge, England : 2003)","2016","45","7","3013","3023","10.1039/c5dt04561d","","x-ray","0.71073","MoKα","","0.0388","0.0295","","","0.0743","0.0811","","","","","","1.049","","","","has coordinates","177783","2020-10-21","18:00:00",""
"7037962","13.187","0.006","17.538","0.007","15.841","0.006","90","","106.018","0.007","90","","3521","3","100","2","100","1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C31 H50 Hf N3 P Si4 -","- C31 H50 Hf N3 P Si4 -","- C124 H200 Hf4 N12 P4 Si16 -","4","1","","Sietzen, M.; Federmann, P.; Sonnenschein, C.; Wadepohl, H.; Ballmann, J.","Cyclometalated titanium and zirconium complexes stabilised by a new silylmethylene-linked tetradentate triamidophosphine.","Dalton transactions (Cambridge, England : 2003)","2016","45","7","3013","3023","10.1039/c5dt04561d","","x-ray","0.71073","MoKα","","0.0409","0.0252","","","0.0542","0.0624","","","","","","1.083","","","","has coordinates","177783","2020-10-21","18:00:00",""
"7037963","18.2029","0.0017","19.8978","0.0019","20.392","0.002","90","","90","","90","","7385.9","1.2","100","2","100","1","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C30 H48 N4 P Si4 Ta -","- C30 H48 N4 P Si4 Ta -","- C240 H384 N32 P8 Si32 Ta8 -","8","1","","Sietzen, M.; Federmann, P.; Sonnenschein, C.; Wadepohl, H.; Ballmann, J.","Cyclometalated titanium and zirconium complexes stabilised by a new silylmethylene-linked tetradentate triamidophosphine.","Dalton transactions (Cambridge, England : 2003)","2016","45","7","3013","3023","10.1039/c5dt04561d","","x-ray","0.71073","MoKα","","0.0382","0.0234","","","0.0448","0.0509","","","","","","1.074","","","","has coordinates","177783","2020-10-21","18:00:00",""
"7037964","16.689","0.0011","16.689","0.0011","21.5798","0.0016","90","","90","","120","","5205.2","0.6","100","","100","","","","","","","","","5","P 3 1 c","P 3 -2c","159","","","","- C28 H39 Cl2 Ir N2 -","- C28 H39 Cl1.99993 Ir N2 -","- C168 H234 Cl11.9996 Ir6 N12 -","6","1","","Sasayama, A. F.; Moore, C. E.; Kubiak, C. P.","Electronic effects on the catalytic disproportionation of formic acid to methanol by [Cp*Ir(III)(R-bpy)Cl]Cl complexes.","Dalton transactions (Cambridge, England : 2003)","2016","45","6","2436","2439","10.1039/c5dt04606h","","x-ray","0.71073","MoKα","","0.034","0.0276","","","0.0579","0.06","","","","","","1.034","","","","has coordinates","177817","2020-10-21","18:00:00",""
"7037965","16.2237","0.0005","15.7371","0.0004","21.8522","0.0007","90","","109","0.002","90","","5275.2","0.3","100","","100","","","","","","","","","7","P 1 2/c 1","-P 2yc","13","","","","- C22 H22 Cl2 F6 Ir N2 O0.5 -","- C22 H22 Cl2 F6 Ir N2 O0.5 -","- C176 H176 Cl16 F48 Ir8 N16 O4 -","8","2","","Sasayama, A. F.; Moore, C. E.; Kubiak, C. P.","Electronic effects on the catalytic disproportionation of formic acid to methanol by [Cp*Ir(III)(R-bpy)Cl]Cl complexes.","Dalton transactions (Cambridge, England : 2003)","2016","45","6","2436","2439","10.1039/c5dt04606h","","x-ray","0.71073","MoKα","","0.0509","0.0338","","","0.0712","0.0788","","","","","","1.02","","","","has coordinates","177817","2020-10-21","18:00:00",""
"7037966","23.339","0.002","7.5382","0.0008","14.5428","0.0017","90","","106.471","0.006","90","","2453.6","0.4","150","0.2","150","0.2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C4 H15 B10 N O2 -","- C4 H15 B10 N O2 -","- C32 H120 B80 N8 O16 -","8","2","","Powley, Samuel L.; Schaefer, Louise; Man, Wing Y.; Ellis, David; Rosair, Georgina M.; Welch, Alan J.","Developing nitrosocarborane chemistry.","Dalton transactions (Cambridge, England : 2003)","2016","45","8","3635","3647","10.1039/c5dt04831a","","","0.71073","MoKα","","0.1594","0.0927","","","0.191","0.2093","","","","","","1.091","","","","has coordinates","177824","2020-10-21","18:00:00",""
"7037967","7.0341","0.0007","19.1795","0.0018","12.5279","0.0011","90","","98.544","0.004","90","","1671.4","0.3","100","2","100.15","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C8 H25 B10 N O Si -","- C8 H25 B10 N O Si -","- C32 H100 B40 N4 O4 Si4 -","4","1","","Powley, Samuel L.; Schaefer, Louise; Man, Wing Y.; Ellis, David; Rosair, Georgina M.; Welch, Alan J.","Developing nitrosocarborane chemistry.","Dalton transactions (Cambridge, England : 2003)","2016","45","8","3635","3647","10.1039/c5dt04831a","","","0.71073","MoKα","","0.044","0.0341","","","0.0878","0.0933","","","","","","1.042","","","","has coordinates","177824","2020-10-21","18:00:00",""
"7037968","8.009","0.002","15.97","0.004","22.139","0.006","90","","90","","90","","2831.7","1.3","150","","150.15","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C8 H15 B10 N O -","- C8 H15 B10 N O -","- C64 H120 B80 N8 O8 -","8","1","","Powley, Samuel L.; Schaefer, Louise; Man, Wing Y.; Ellis, David; Rosair, Georgina M.; Welch, Alan J.","Developing nitrosocarborane chemistry.","Dalton transactions (Cambridge, England : 2003)","2016","45","8","3635","3647","10.1039/c5dt04831a","","","0.71073","MoKα","","0.2405","0.1302","","","0.3038","0.3858","","","","","","1.105","","","","has coordinates,has disorder","177824","2020-10-21","18:00:00",""
"7037969","16.3052","0.0005","16.3052","0.0005","6.9144","0.0003","90","","90","","90","","1838.26","0.11","100","0.2","100","0.2","","","","","","","","5","P 42/n","-P 4bc","86","","","","- C4 H20 B20 N2 O2 -","- C4 H20 B20 N2 O1.998 -","- C16 H80 B80 N8 O7.992 -","4","","","Powley, Samuel L.; Schaefer, Louise; Man, Wing Y.; Ellis, David; Rosair, Georgina M.; Welch, Alan J.","Developing nitrosocarborane chemistry.","Dalton transactions (Cambridge, England : 2003)","2016","45","8","3635","3647","10.1039/c5dt04831a","","","0.71073","MoKα","","0.047","0.0438","","","0.1137","0.116","","","","","","1.145","","","","has coordinates,has disorder","177824","2020-10-21","18:00:00",""
"7037970","7.2022","0.0008","9.5053","0.001","12.9926","0.0015","90","","97.35","0.007","90","","882.15","0.17","100","0.2","100","0.2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C4 H23 B20 N O -","- C4 H23 B20 N O -","- C8 H46 B40 N2 O2 -","2","0.5","","Powley, Samuel L.; Schaefer, Louise; Man, Wing Y.; Ellis, David; Rosair, Georgina M.; Welch, Alan J.","Developing nitrosocarborane chemistry.","Dalton transactions (Cambridge, England : 2003)","2016","45","8","3635","3647","10.1039/c5dt04831a","","","0.71073","MoKα","","0.0664","0.0532","","","0.1271","0.133","","","","","","1.107","","","","has coordinates,has disorder","177824","2020-10-21","18:00:00",""
"7037971","7.2275","0.0019","9.678","0.003","12.993","0.004","90","","93.226","0.009","90","","907.4","0.5","100","0.2","100","0.2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C4 H21 B20 N O -","- C4 H21 B20 N O -","- C8 H42 B40 N2 O2 -","2","0.5","","Powley, Samuel L.; Schaefer, Louise; Man, Wing Y.; Ellis, David; Rosair, Georgina M.; Welch, Alan J.","Developing nitrosocarborane chemistry.","Dalton transactions (Cambridge, England : 2003)","2016","45","8","3635","3647","10.1039/c5dt04831a","","","0.71073","MoKα","","0.0688","0.0536","","","0.1483","0.1546","","","","","","1.147","","","","has coordinates,has disorder","177824","2020-10-21","18:00:00",""
"7037972","10.4155","0.001","11.0414","0.001","13.1547","0.0012","67.377","0.003","79.186","0.003","89.541","0.003","1368.2","0.2","100","0.2","100","0.2","","","","","","","","5","P -1","-P 1","2","","","","- C8 H17 B10 N O -","- C8 H17 B10 N O -","- C32 H68 B40 N4 O4 -","4","2","","Powley, Samuel L.; Schaefer, Louise; Man, Wing Y.; Ellis, David; Rosair, Georgina M.; Welch, Alan J.","Developing nitrosocarborane chemistry.","Dalton transactions (Cambridge, England : 2003)","2016","45","8","3635","3647","10.1039/c5dt04831a","","","0.71073","MoKα","","0.0476","0.0382","","","0.1012","0.1081","","","","","","0.931","","","","has coordinates","177824","2020-10-21","18:00:00",""
"7037973","11.9847","0.0018","16.213","0.003","20.179","0.003","87.624","0.006","88.802","0.005","71.721","0.005","3719.8","1.1","100","0.2","100","0.2","","","","","","","","5","P -1","-P 1","2","","","","- C12 H27 B10 N O -","- C12 H27 B10 N O -","- C96 H216 B80 N8 O8 -","8","4","","Powley, Samuel L.; Schaefer, Louise; Man, Wing Y.; Ellis, David; Rosair, Georgina M.; Welch, Alan J.","Developing nitrosocarborane chemistry.","Dalton transactions (Cambridge, England : 2003)","2016","45","8","3635","3647","10.1039/c5dt04831a","","","0.71073","MoKα","","0.0825","0.0483","","","0.1033","0.1175","","","","","","1.024","","","","has coordinates","177824","2020-10-21","18:00:00",""
"7037974","11.409","0.004","16.464","0.005","10.356","0.003","90","","90","","90","","1945.2","1.1","100","0.2","100","0.2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C14 H26 B10 N2 O2 -","- C14 H26 B10 N2 O2 -","- C56 H104 B40 N8 O8 -","4","0.5","","Powley, Samuel L.; Schaefer, Louise; Man, Wing Y.; Ellis, David; Rosair, Georgina M.; Welch, Alan J.","Developing nitrosocarborane chemistry.","Dalton transactions (Cambridge, England : 2003)","2016","45","8","3635","3647","10.1039/c5dt04831a","","","0.71073","MoKα","","0.0681","0.0436","","","0.0984","0.1092","","","","","","1.039","","","","has coordinates","177824","2020-10-21","18:00:00",""
"7037975","17.316","0.005","10.39","0.003","11.385","0.004","90","","110.266","0.019","90","","1921.5","1.1","100","0.2","100","0.2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C14 H26 B10 N2 O2 -","- C14 H26 B10 N2 O2 -","- C56 H104 B40 N8 O8 -","4","0.5","","Powley, Samuel L.; Schaefer, Louise; Man, Wing Y.; Ellis, David; Rosair, Georgina M.; Welch, Alan J.","Developing nitrosocarborane chemistry.","Dalton transactions (Cambridge, England : 2003)","2016","45","8","3635","3647","10.1039/c5dt04831a","","","0.71073","MoKα","","0.0619","0.0426","","","0.1171","0.129","","","","","","1.068","","","","has coordinates","177824","2020-10-21","18:00:00",""
"7037976","10.1193","0.0007","10.67","0.0007","12.4753","0.0008","90","","99.648","0.003","90","","1327.94","0.15","100","0.2","100.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C16 H36 B20 N2 O2 -","- C16 H36 B20 N2 O2 -","- C32 H72 B40 N4 O4 -","2","0.5","","Powley, Samuel L.; Schaefer, Louise; Man, Wing Y.; Ellis, David; Rosair, Georgina M.; Welch, Alan J.","Developing nitrosocarborane chemistry.","Dalton transactions (Cambridge, England : 2003)","2016","45","8","3635","3647","10.1039/c5dt04831a","","","0.71073","MoKα","","0.0763","0.057","","","0.1325","0.1442","","","","","","1.026","","","","has coordinates,has disorder","177824","2020-10-21","18:00:00",""
"7037977","9.5006","0.0011","12.0225","0.0015","19.411","0.002","90","","93.031","0.006","90","","2214","0.4","100","0.2","100","0.2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C10 H29 B20 N O -","- C10 H29 B20 N O -","- C40 H116 B80 N4 O4 -","4","1","","Powley, Samuel L.; Schaefer, Louise; Man, Wing Y.; Ellis, David; Rosair, Georgina M.; Welch, Alan J.","Developing nitrosocarborane chemistry.","Dalton transactions (Cambridge, England : 2003)","2016","45","8","3635","3647","10.1039/c5dt04831a","","","0.71073","MoKα","","0.1663","0.09","","","0.2205","0.2699","","","","","","1.054","","","","has coordinates","177824","2020-10-21","18:00:00",""
"7037978","9.2476","0.0005","9.887","0.0006","12.521","0.0007","92.876","0.003","90.579","0.003","110.439","0.004","1070.92","0.11","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C18 H28 Br2 N4 Ni O2 -","- C18 H28 Br2 N4 Ni O2 -","- C36 H56 Br4 N8 Ni2 O4 -","2","1","","Nyamato, George S.; Ojwach, Stephen O.; Akerman, Matthew P.","Ethylene oligomerization studies by nickel(ii) complexes chelated by (amino)pyridine ligands: experimental and density functional theory studies.","Dalton transactions (Cambridge, England : 2003)","2016","45","8","3407","3416","10.1039/c5dt04667j","","","0.71073","MoKα","","0.0421","0.0332","","","0.0803","0.084","","","","","","1.125","","","","has coordinates","177826","2020-10-21","18:00:00",""
"7037979","8.195","0.0004","8.3725","0.0004","8.9081","0.0004","109.596","0.002","98.327","0.002","101.729","0.002","548.55","0.05","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C16 H28 Br2 N4 Ni O4 -","- C16 H28 Br2 N4 Ni O4 -","- C16 H28 Br2 N4 Ni O4 -","1","0.5","","Nyamato, George S.; Ojwach, Stephen O.; Akerman, Matthew P.","Ethylene oligomerization studies by nickel(ii) complexes chelated by (amino)pyridine ligands: experimental and density functional theory studies.","Dalton transactions (Cambridge, England : 2003)","2016","45","8","3407","3416","10.1039/c5dt04667j","","","0.71073","MoKα","","0.0272","0.024","","","0.0616","0.0629","","","","","","1.091","","","","has coordinates","177826","2020-10-21","18:00:00",""
"7037980","15.428","0.003","12.264","0.003","18.299","0.004","90","","114.33","0.03","90","","3154.8","1.4","110.15","","110.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C32 H32 Cl5 D N2 Ru -","- C32 H29 Cl5 D4 N2 Ru -","- C128 H116 Cl20 D16 N8 Ru4 -","4","1","","Tay, Boon Ying; Wang, Cun; Phua, Pim Huat; Stubbs, Ludger Paul; Huynh, Han Vinh","Selective hydrogenation of levulinic acid to γ-valerolactone using in situ generated ruthenium nanoparticles derived from Ru-NHC complexes.","Dalton transactions (Cambridge, England : 2003)","2016","45","8","3558","3563","10.1039/c5dt03366g","","","0.71073","MoKα","","0.0582","0.0503","","","0.1312","0.1476","","","","","","1.155","","","","has coordinates","177827","2020-10-21","18:00:00",""
"7037981","7.1962","0.0014","10.047","0.002","16.148","0.003","87.35","0.03","84.96","0.03","71.8","0.03","1104.6","0.4","115.15","","115.15","","","","","","","","","5","P -1","-P 1","2","","","","- C23 H32 Cl2 N2 Ru -","- C23 H32 Cl2 N2 Ru -","- C46 H64 Cl4 N4 Ru2 -","2","1","","Tay, Boon Ying; Wang, Cun; Phua, Pim Huat; Stubbs, Ludger Paul; Huynh, Han Vinh","Selective hydrogenation of levulinic acid to γ-valerolactone using in situ generated ruthenium nanoparticles derived from Ru-NHC complexes.","Dalton transactions (Cambridge, England : 2003)","2016","45","8","3558","3563","10.1039/c5dt03366g","","","0.71073","MoKα","","0.1367","0.1282","","","0.3952","0.4074","","","","","","1.679","","","","has coordinates","177827","2020-10-21","18:00:00",""
"7037982","8.85","0.0018","11.108","0.002","23.386","0.005","90","","97.54","0.03","90","","2279.1","0.8","110.15","","110.15","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C19 H26 Cl F6 N4 P Ru -","- C19 H26 Cl F6 N4 P Ru -","- C76 H104 Cl4 F24 N16 P4 Ru4 -","4","1","","Tay, Boon Ying; Wang, Cun; Phua, Pim Huat; Stubbs, Ludger Paul; Huynh, Han Vinh","Selective hydrogenation of levulinic acid to γ-valerolactone using in situ generated ruthenium nanoparticles derived from Ru-NHC complexes.","Dalton transactions (Cambridge, England : 2003)","2016","45","8","3558","3563","10.1039/c5dt03366g","","","0.71073","MoKα","","0.0869","0.0831","","","0.2224","0.2271","","","","","","1.161","","","","has coordinates","177827","2020-10-21","18:00:00",""
"7037983","9.0341","0.0005","12.1215","0.0005","12.1471","0.0007","98.211","0.004","109.214","0.005","92.023","0.004","1238.39","0.12","173","2","173","2","","","","","","","","6","P -1","-P 1","2","GdDTPA","Potassium gadolinium diethylenetriaminepentaacetate","","- C14 H30 Gd K2 N3 O16 -","- C14 H30 Gd K2 N3 O16 -","- C28 H60 Gd2 K4 N6 O32 -","2","1","","Gao, Song; George, Simon J.; Zhou, Zhao-Hui","Interaction of Gd-DTPA with phosphate and phosphite: toward the reaction intermediate in nephrogenic systemic fibrosis.","Dalton transactions (Cambridge, England : 2003)","2016","45","12","5388","5394","10.1039/c5dt04172d","","","0.71073","MoKα","","0.0236","0.0221","","","0.0512","0.052","","","","","","0.991","","","","has coordinates","181664","2020-10-21","18:00:00",""
"7037984","9.8178","0.0005","9.8286","0.0006","30.4662","0.001","80.858","0.004","82.993","0.004","64.922","0.005","2624","0.3","173","2","173","2","","","","","","","","7","P -1","-P 1","2","LaDTPAHPO4","","","- C28 H57 K6 La2 N6 O34 P -","- C28 H57 K6 La2 N6 O34 P -","- C56 H114 K12 La4 N12 O68 P2 -","2","1","","Gao, Song; George, Simon J.; Zhou, Zhao-Hui","Interaction of Gd-DTPA with phosphate and phosphite: toward the reaction intermediate in nephrogenic systemic fibrosis.","Dalton transactions (Cambridge, England : 2003)","2016","45","12","5388","5394","10.1039/c5dt04172d","","","0.71073","MoKα","","0.0535","0.0392","","","0.069","0.0737","","","","","","1.031","","","","has coordinates","181664","2020-10-21","18:00:00",""
"7037985","26.2754","0.0014","9.0495","0.0005","17.5199","0.001","90","","93.263","0.002","90","","4159.1","0.4","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C42 H70 N4 O2 Sm -","- C42 H70 N4 O2 Sm -","- C168 H280 N16 O8 Sm4 -","4","1","","Maria, Leonor; Soares, Marina; Santos, Isabel C.; Sousa, Vânia R; Mora, Elsa; Marçalo, Joaquim; Luzyanin, Konstantin V.","A novel samarium(ii) complex bearing a dianionic bis(phenolate) cyclam ligand: synthesis, structure and electron-transfer reactions.","Dalton transactions (Cambridge, England : 2003)","2016","45","9","3778","3790","10.1039/c5dt04647e","","","0.71073","MoKα","","0.1303","0.0717","","","0.1624","0.178","","","","","","1.054","","","","has coordinates,has disorder","177865","2020-10-21","18:00:00",""
"7037986","40.1363","0.0007","18.3016","0.0003","17.6719","0.0003","90","","100.442","0.001","90","","12766.1","0.4","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C138 H189 B2 N11 O4 Sm2 -","- C138 H189 B2 N11 O4 Sm2 -","- C552 H756 B8 N44 O16 Sm8 -","4","1","","Maria, Leonor; Soares, Marina; Santos, Isabel C.; Sousa, Vânia R; Mora, Elsa; Marçalo, Joaquim; Luzyanin, Konstantin V.","A novel samarium(ii) complex bearing a dianionic bis(phenolate) cyclam ligand: synthesis, structure and electron-transfer reactions.","Dalton transactions (Cambridge, England : 2003)","2016","45","9","3778","3790","10.1039/c5dt04647e","","","0.71073","MoKα","","0.0958","0.0525","","","0.1037","0.1137","","","","","","1.026","","","","has coordinates,has disorder","177865","2020-10-21","18:00:00",""
"7037987","20.7329","0.0014","30.8997","0.0019","15.2338","0.001","90","","97.093","0.002","90","","9684.7","1.1","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C96 H164 N8 O8 Sm2 -","- C96 H164 N8 O8 Sm2 -","- C384 H656 N32 O32 Sm8 -","4","0.5","","Maria, Leonor; Soares, Marina; Santos, Isabel C.; Sousa, Vânia R; Mora, Elsa; Marçalo, Joaquim; Luzyanin, Konstantin V.","A novel samarium(ii) complex bearing a dianionic bis(phenolate) cyclam ligand: synthesis, structure and electron-transfer reactions.","Dalton transactions (Cambridge, England : 2003)","2016","45","9","3778","3790","10.1039/c5dt04647e","","","0.71073","MoKα","","0.1164","0.051","","","0.0929","0.1064","","","","","","0.894","","","","has coordinates","177865","2020-10-21","18:00:00",""
"7037988","15.8177","0.0003","37.3695","0.0008","18.0889","0.0004","90","","115.133","0.001","90","","9680","0.4","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C90 H150 N8 O4 S Sm2 -","- C90 H150 N8 O4 S Sm2 -","- C360 H600 N32 O16 S4 Sm8 -","4","1","","Maria, Leonor; Soares, Marina; Santos, Isabel C.; Sousa, Vânia R; Mora, Elsa; Marçalo, Joaquim; Luzyanin, Konstantin V.","A novel samarium(ii) complex bearing a dianionic bis(phenolate) cyclam ligand: synthesis, structure and electron-transfer reactions.","Dalton transactions (Cambridge, England : 2003)","2016","45","9","3778","3790","10.1039/c5dt04647e","","","0.71073","MoKα","","0.0921","0.0605","","","0.1387","0.1507","","","","","","1.057","","","","has coordinates,has disorder","177865","2020-10-21","18:00:00",""
"7037989","17.906","0.005","14.892","0.005","21.375","0.005","90","0.005","104.623","0.005","90","0.005","5515","3","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C54 H82 N6 O2 Sm -","- C54 H82 N6 O2 Sm -","- C216 H328 N24 O8 Sm4 -","4","1","","Maria, Leonor; Soares, Marina; Santos, Isabel C.; Sousa, Vânia R; Mora, Elsa; Marçalo, Joaquim; Luzyanin, Konstantin V.","A novel samarium(ii) complex bearing a dianionic bis(phenolate) cyclam ligand: synthesis, structure and electron-transfer reactions.","Dalton transactions (Cambridge, England : 2003)","2016","45","9","3778","3790","10.1039/c5dt04647e","","","0.71069","MoKα","","0.0852","0.0731","","","0.2004","0.207","","","","","","1.088","","","","has coordinates","177865","2020-10-21","18:00:00",""
"7037990","7.5394","0.0006","10.6149","0.0009","12.161","0.001","84","0.001","75.382","0.001","86.891","0.002","936.19","0.13","173","1","173","1","","","","","","","","3","P -1","-P 1","2","Bis Ninhydrin Resorcinol-""boat"" configuration","(4S,12S,18R,26R)-4,12,18,26-Tetrahydroxy-13.17-dioxaheptacyclo[14.10.0.03,14.04,12.06,11.018,26.019,24] hexacosa-1,3(14),6,8,10,15,19,21,23-nonaene-5,25-dione","","- C24 H14 O8 -","- C24 H14 O8 -","- C48 H28 O16 -","2","1","","Bengiat, R.; Gil, M.; Klein, A.; Bogoslavsky, B.; Cohen, S.; Dubnikova, F.; Yardeni, G.; Zilbermann, I.; Almog, J.","Selective recognition of fluoride salts by vasarenes: a key role of a self-assembled in situ dimeric entity via an exceptionally short [O-H-O](-) H-bond.","Dalton transactions (Cambridge, England : 2003)","2016","45","21","8734","8739","10.1039/c5dt04171f","","","0.71073","MoKα","","0.0727","0.0606","","","0.1277","0.1336","","","","","","1.146","","","","has coordinates","185445","2020-10-21","18:00:00",""
"7037991","10.811","0.001","7.864","0.0008","26.025","0.003","90","","99.56","0.002","90","","2181.9","0.4","173","1","173","1","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","Bis Ninhydrin Resorcinol ""chair"" configuration","(4S,12S,18S,26S)-4,12,18,26-Tetrahydroxy-13.17-dioxaheptacyclo[14.10.0.03,14.04,12.06,11.018,26.019,24] hexacosa-1,3(14),6,8,10,15,19,21,23-nonaene-5,25-dione","","- C26 H20 O9 -","- C26 H20 O9 -","- C104 H80 O36 -","4","1","","Bengiat, R.; Gil, M.; Klein, A.; Bogoslavsky, B.; Cohen, S.; Dubnikova, F.; Yardeni, G.; Zilbermann, I.; Almog, J.","Selective recognition of fluoride salts by vasarenes: a key role of a self-assembled in situ dimeric entity via an exceptionally short [O-H-O](-) H-bond.","Dalton transactions (Cambridge, England : 2003)","2016","45","21","8734","8739","10.1039/c5dt04171f","","","0.71073","MoKα","","0.1077","0.0977","","","0.1792","0.1835","","","","","","1.31","","","","has coordinates","185445","2020-10-21","18:00:00",""
"7037992","12.2617","0.0009","15.379","0.001","25.646","0.002","90","","90","","90","","4836.1","0.6","173","1","173","1","","","","","","","","5","P b c a","-P 2ac 2ab","61","Cesium Fluoride complex of Vasarene [4]","","","- C26 H20 Cs F O9 -","- C26 H20 Cs F O9 -","- C208 H160 Cs8 F8 O72 -","8","1","","Bengiat, R.; Gil, M.; Klein, A.; Bogoslavsky, B.; Cohen, S.; Dubnikova, F.; Yardeni, G.; Zilbermann, I.; Almog, J.","Selective recognition of fluoride salts by vasarenes: a key role of a self-assembled in situ dimeric entity via an exceptionally short [O-H-O](-) H-bond.","Dalton transactions (Cambridge, England : 2003)","2016","45","21","8734","8739","10.1039/c5dt04171f","","","0.71073","MoKα","","0.0269","0.0254","","","0.0635","0.0644","","","","","","1.072","","","","has coordinates,has disorder","185445","2020-10-21","18:00:00",""
"7037993","12.194","0.001","15.536","0.002","25.299","0.002","90","","90","","90","","4792.8","0.8","295","1","295","1","","","","","","","","5","P b c a","-P 2ac 2ab","61","Rubidium Fluoride complex of Vasarene [4]","","","- C26 H14 F O9 Rb -","- C26 H14 F O9 Rb -","- C208 H112 F8 O72 Rb8 -","8","1","","Bengiat, R.; Gil, M.; Klein, A.; Bogoslavsky, B.; Cohen, S.; Dubnikova, F.; Yardeni, G.; Zilbermann, I.; Almog, J.","Selective recognition of fluoride salts by vasarenes: a key role of a self-assembled in situ dimeric entity via an exceptionally short [O-H-O](-) H-bond.","Dalton transactions (Cambridge, England : 2003)","2016","45","21","8734","8739","10.1039/c5dt04171f","","","0.71073","MoKα","","0.0902","0.0626","","","0.165","0.1775","","","","","","1.054","","","","has coordinates","185445","2020-10-21","18:00:00",""
"7037994","9.749","0.001","11.785","0.001","14.738","0.002","70.446","0.002","86.671","0.002","71.563","0.002","1511.6","0.3","295","1","295","1","","","","","","","","5","P -1","-P 1","2","Tetramethyl Ammonium Fluoride complex of Vasarene [4]","","","- C60 H65 F N2 O19 -","- C60 H58 F N2 O19 -","- C60 H58 F N2 O19 -","1","0.5","","Bengiat, R.; Gil, M.; Klein, A.; Bogoslavsky, B.; Cohen, S.; Dubnikova, F.; Yardeni, G.; Zilbermann, I.; Almog, J.","Selective recognition of fluoride salts by vasarenes: a key role of a self-assembled in situ dimeric entity via an exceptionally short [O-H-O](-) H-bond.","Dalton transactions (Cambridge, England : 2003)","2016","45","21","8734","8739","10.1039/c5dt04171f","","","0.71073","MoKα","","0.0956","0.0744","","","0.216","0.2343","","","","","","1.056","","","","has coordinates","185445","2020-10-21","18:00:00",""
"7037995","9.5145","0.0007","16.653","0.001","9.5978","0.0007","90","","94.788","0.001","90","","1515.42","0.18","173","1","173","1","","","","","","","","5","P 1 21 1","P 2yb","4","Tetraethyl Ammonium Fluoride complex of Vasarene [4]","","","- C34 H40 F N O9 -","- C34 H40 F N O9 -","- C68 H80 F2 N2 O18 -","2","1","","Bengiat, R.; Gil, M.; Klein, A.; Bogoslavsky, B.; Cohen, S.; Dubnikova, F.; Yardeni, G.; Zilbermann, I.; Almog, J.","Selective recognition of fluoride salts by vasarenes: a key role of a self-assembled in situ dimeric entity via an exceptionally short [O-H-O](-) H-bond.","Dalton transactions (Cambridge, England : 2003)","2016","45","21","8734","8739","10.1039/c5dt04171f","","","0.71073","MoKα","","0.0556","0.0527","","","0.1275","0.1294","","","","","","1.135","","","","has coordinates","185445","2020-10-21","18:00:00",""
"7037996","9.78868","0.00007","15.40415","0.00013","17.09116","0.00014","90","","90.7481","0.0007","90","","2576.89","0.04","120","","120","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C18 H12 Br2 Cu N4 O2 -","- C18 H12 Br2 Cu N4 O2 -","- C108 H72 Br12 Cu6 N24 O12 -","6","1.5","","Healy, Mary R.; Roebuck, James W.; Doidge, Euan D.; Emeleus, Lucy C.; Bailey, Philip J.; Campbell, John; Fischmann, Adam J.; Love, Jason B.; Morrison, Carole A.; Sassi, Thomas; White, David J.; Tasker, Peter A.","Contributions of inner and outer coordination sphere bonding in determining the strength of substituted phenolic pyrazoles as copper extractants.","Dalton transactions (Cambridge, England : 2003)","2016","45","7","3055","3062","10.1039/c5dt04055h","","","1.5418","CuKα","","0.025","0.0219","","0.055","0.0529","0.055","","","","","","0.9917","","","","has coordinates","182989","2020-10-21","18:00:00",""
"7037997","3.84135","0.0001","9.929","0.0002","22.756","0.0006","90","","90","","90","","867.93","0.04","137","","137","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C9 H7 Br N2 O -","- C9 H7 Br N2 O -","- C36 H28 Br4 N8 O4 -","4","1","","Healy, Mary R.; Roebuck, James W.; Doidge, Euan D.; Emeleus, Lucy C.; Bailey, Philip J.; Campbell, John; Fischmann, Adam J.; Love, Jason B.; Morrison, Carole A.; Sassi, Thomas; White, David J.; Tasker, Peter A.","Contributions of inner and outer coordination sphere bonding in determining the strength of substituted phenolic pyrazoles as copper extractants.","Dalton transactions (Cambridge, England : 2003)","2016","45","7","3055","3062","10.1039/c5dt04055h","","","1.54184","CuKα","","0.0198","0.0192","","0.0465","0.0463","0.0465","","","","","","1.0189","","","","has coordinates","177788","2020-10-21","18:00:00",""
"7037998","15.8387","0.0009","20.2949","0.0013","27.3283","0.0016","90","","91.293","0.001","90","","8782.3","0.9","150","","150.01","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C55 H112 Ge9 K Si12 -","- C55 H112 Ge9 K Si12 -","- C220 H448 Ge36 K4 Si48 -","4","1","","Kysliak, O.; Schnepf, A.","{Ge9[Si(SiMe3)3]2}(2-): a starting point for mixed substituted metalloid germanium clusters.","Dalton transactions (Cambridge, England : 2003)","2016","45","6","2404","2408","10.1039/c5dt04022a","","","0.71073","MoKα","","0.089","0.062","","","0.1505","0.1638","","","","","","1.072","","","","has coordinates,has disorder","177814","2020-10-21","18:00:00",""
"7037999","28.3009","0.0018","14.6104","0.0009","28.7838","0.0017","90","","119.398","0.001","90","","10369.2","1.1","150","","150.02","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C66 H150 Ge9 K2 N4 O15 Si8 -","- C66 H150 Ge9 K2 N4 O15 Si8 -","- C264 H600 Ge36 K8 N16 O60 Si32 -","4","1","","Kysliak, O.; Schnepf, A.","{Ge9[Si(SiMe3)3]2}(2-): a starting point for mixed substituted metalloid germanium clusters.","Dalton transactions (Cambridge, England : 2003)","2016","45","6","2404","2408","10.1039/c5dt04022a","","","0.71073","MoKα","","0.0554","0.036","","","0.0831","0.0899","","","","","","1.035","","","","has coordinates,has disorder","177814","2020-10-21","18:00:00",""
"7038000","12.1599","0.0011","15.058","0.0014","27.802","0.003","97.312","0.002","94.153","0.002","108.939","0.002","4740.7","0.8","150","2","150","","","","","","","","","6","P -1","-P 1","2","","","","- C54 H111 Ge9 K O3 Si12 -","- C54 H111 Ge9 K O3 Si12 -","- C108 H222 Ge18 K2 O6 Si24 -","2","1","","Kysliak, O.; Schnepf, A.","{Ge9[Si(SiMe3)3]2}(2-): a starting point for mixed substituted metalloid germanium clusters.","Dalton transactions (Cambridge, England : 2003)","2016","45","6","2404","2408","10.1039/c5dt04022a","","","0.71073","MoKα","","0.0859","0.0469","","","0.0937","0.1031","","","","","","0.934","","","","has coordinates,has disorder","177814","2020-10-21","18:00:00",""
"7038001","26.448","0.004","11.2469","0.0018","30.221","0.004","90","","112.221","0.004","90","","8322","2","150","","150","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C44 H117 Ge9 K O3 Si12 -","- C44 H112 Ge9 K O3 Si12 -","- C176 H448 Ge36 K4 O12 Si48 -","4","1","","Kysliak, O.; Schnepf, A.","{Ge9[Si(SiMe3)3]2}(2-): a starting point for mixed substituted metalloid germanium clusters.","Dalton transactions (Cambridge, England : 2003)","2016","45","6","2404","2408","10.1039/c5dt04022a","","","0.71073","MoKα","","0.1146","0.0562","","","0.1147","0.1339","","","","","","1.001","","","","has coordinates,has disorder","177814","2020-10-21","18:00:00",""
"7038002","17.137","0.003","24.199","0.005","23.303","0.005","90","","94.81","0.03","90","","9630","3","170","2","170","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C96 H23 F20 N6 O17.5 Pd2 -","- C96 H23 F20 N6 O17.5 Pd2 -","- C384 H92 F80 N24 O70 Pd8 -","4","1","","Abebayehu, Abeje; Park, Dowoo; Hwang, Seonah; Dutta, Ranjan; Lee, Chang-Hee","Synthesis and spectroscopic behaviour of metal complexes of meso-alkylidenyl carbaporphyrinoids and their expanded analogues.","Dalton transactions (Cambridge, England : 2003)","2016","45","7","3093","3101","10.1039/c5dt04566e","","","0.71073","MoKα","","0.121","0.0712","","","0.1728","0.2045","","","","","","0.984","","","","has coordinates,has disorder","177791","2020-10-21","18:00:00",""
"7038003","8.02","0.0003","12.3646","0.0005","13.3489","0.0005","78.64","0.003","82.951","0.003","76.046","0.003","1255.56","0.09","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C15 H22 Cl2 N2 O12 Ru2 -","- C15 H22 Cl2 N2 O12 Ru2 -","- C30 H44 Cl4 N4 O24 Ru4 -","2","1","","Yang, Shuhong; Chen, Mengjiao; Zhou, Lingling; Zhang, Guofang; Gao, Ziwei; Zhang, Weiqiang","Photo-activated CO-releasing molecules (PhotoCORMs) of robust sawhorse scaffolds [μ(2)-OOCR(1), η(1)-NH2CHR(2)(C[double bond, length as m-dash]O] OCH3, Ru(i)2CO4].","Dalton transactions (Cambridge, England : 2003)","2016","45","9","3727","3733","10.1039/c5dt04479k","","","0.71073","MoKα","","0.0373","0.0275","","","0.0651","0.0716","","","","","","1.102","","","","has coordinates","177871","2020-10-21","18:00:00",""
"7038004","11.2781","0.0012","15.2544","0.0015","19.7636","0.0016","90","","124.796","0.004","90","","2792.2","0.5","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H24 N2 O12 Ru2 -","- C24 H24 N2 O12 Ru2 -","- C96 H96 N8 O48 Ru8 -","4","1","","Yang, Shuhong; Chen, Mengjiao; Zhou, Lingling; Zhang, Guofang; Gao, Ziwei; Zhang, Weiqiang","Photo-activated CO-releasing molecules (PhotoCORMs) of robust sawhorse scaffolds [μ(2)-OOCR(1), η(1)-NH2CHR(2)(C[double bond, length as m-dash]O] OCH3, Ru(i)2CO4].","Dalton transactions (Cambridge, England : 2003)","2016","45","9","3727","3733","10.1039/c5dt04479k","","","0.71073","MoKα","","0.0471","0.0332","","","0.0667","0.0741","","","","","","1.064","","","","has coordinates","177871","2020-10-21","18:00:00",""
"7038005","11.6661","0.0003","15.7555","0.0005","19.8021","0.0007","90","","125.572","0.002","90","","2960.5","0.18","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H28 N2 O12 Ru2 -","- C26 H28 N2 O12 Ru2 -","- C104 H112 N8 O48 Ru8 -","4","1","","Yang, Shuhong; Chen, Mengjiao; Zhou, Lingling; Zhang, Guofang; Gao, Ziwei; Zhang, Weiqiang","Photo-activated CO-releasing molecules (PhotoCORMs) of robust sawhorse scaffolds [μ(2)-OOCR(1), η(1)-NH2CHR(2)(C[double bond, length as m-dash]O] OCH3, Ru(i)2CO4].","Dalton transactions (Cambridge, England : 2003)","2016","45","9","3727","3733","10.1039/c5dt04479k","","","0.71073","MoKα","","0.0792","0.0558","","","0.1384","0.1583","","","","","","1.072","","","","has coordinates","177871","2020-10-21","18:00:00",""
"7038006","9.9506","0.0004","12.5452","0.0005","13.698","0.0007","96.569","0.004","97.327","0.004","104.426","0.004","1623.39","0.13","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H28 N2 O14 Ru2 -","- C26 H28 N2 O14 Ru2 -","- C52 H56 N4 O28 Ru4 -","2","1","","Yang, Shuhong; Chen, Mengjiao; Zhou, Lingling; Zhang, Guofang; Gao, Ziwei; Zhang, Weiqiang","Photo-activated CO-releasing molecules (PhotoCORMs) of robust sawhorse scaffolds [μ(2)-OOCR(1), η(1)-NH2CHR(2)(C[double bond, length as m-dash]O] OCH3, Ru(i)2CO4].","Dalton transactions (Cambridge, England : 2003)","2016","45","9","3727","3733","10.1039/c5dt04479k","","","1.54178","CuKα","","0.0515","0.0407","","","0.1019","0.1115","","","","","","1.051","","","","has coordinates","177871","2020-10-21","18:00:00",""
"7038007","13.3844","0.0005","13.4679","0.0005","14.6001","0.0005","88.558","0.003","78.659","0.003","76.108","0.003","2504.27","0.16","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C18 H20 Br N O2 -","- C18 H20 Br N O2 -","- C108 H120 Br6 N6 O12 -","6","3","","Roebuck, James W.; Turkington, Jennifer R.; Rogers, David M.; Bailey, Philip J.; Griffin, Violina; Fischmann, Adam J.; Nichol, Gary S.; Pelser, Max; Parsons, Simon; Tasker, Peter A.","Preorganized tridentate analogues of mixed hydroxyoxime/carboxylate nickel extractants.","Dalton transactions (Cambridge, England : 2003)","2016","45","9","3734","3742","10.1039/c5dt04288g","","","1.54178","CuKα","","0.0354","0.0305","","0.0525","0.0518","0.0525","","","","","","0.9997","","","","has coordinates,has disorder","177872","2020-10-21","18:00:00",""
"7038008","10.849","0.0001","43.9601","0.0003","8.0816","0.0001","90","","110.623","0.001","90","","3607.31","0.07","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H19 Br N2 O -","- C20 H19 Br N2 O -","- C160 H152 Br8 N16 O8 -","8","2","","Roebuck, James W.; Turkington, Jennifer R.; Rogers, David M.; Bailey, Philip J.; Griffin, Violina; Fischmann, Adam J.; Nichol, Gary S.; Pelser, Max; Parsons, Simon; Tasker, Peter A.","Preorganized tridentate analogues of mixed hydroxyoxime/carboxylate nickel extractants.","Dalton transactions (Cambridge, England : 2003)","2016","45","9","3734","3742","10.1039/c5dt04288g","","","1.54178","CuKα","","0.0279","0.0264","","0.0431","0.0429","0.0431","","","","","","0.9985","","","","has coordinates","211332","2020-10-21","18:00:00",""
"7038009","14.5459","0.0004","16.7717","0.0004","19.6958","0.0005","96.879","0.002","96.761","0.002","115.104","0.002","4243.2","0.2","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C43.5 H44 Br2 Cl3 N4 Ni O2.5 -","- C43.5 H44 Br2 Cl3 N4 Ni O2.5 -","- C174 H176 Br8 Cl12 N16 Ni4 O10 -","4","2","","Roebuck, James W.; Turkington, Jennifer R.; Rogers, David M.; Bailey, Philip J.; Griffin, Violina; Fischmann, Adam J.; Nichol, Gary S.; Pelser, Max; Parsons, Simon; Tasker, Peter A.","Preorganized tridentate analogues of mixed hydroxyoxime/carboxylate nickel extractants.","Dalton transactions (Cambridge, England : 2003)","2016","45","9","3734","3742","10.1039/c5dt04288g","","","1.54184","CuKα","","0.0344","0.0307","","","0.0763","0.0788","","","","","","1.022","","","","has coordinates","211332","2020-10-21","18:00:00",""
"7038010","27.043","0.0006","7.37835","0.00019","16.6969","0.0004","90","","91.949","0.002","90","","3329.65","0.14","120","","120","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C36 H38 Br2 N2 Ni O4 -","- C36 H38 Br2 N2 Ni O4 -","- C144 H152 Br8 N8 Ni4 O16 -","4","0.5","","Roebuck, James W.; Turkington, Jennifer R.; Rogers, David M.; Bailey, Philip J.; Griffin, Violina; Fischmann, Adam J.; Nichol, Gary S.; Pelser, Max; Parsons, Simon; Tasker, Peter A.","Preorganized tridentate analogues of mixed hydroxyoxime/carboxylate nickel extractants.","Dalton transactions (Cambridge, England : 2003)","2016","45","9","3734","3742","10.1039/c5dt04288g","","","0.71073","MoKα","","0.0374","0.03","","0.0488","0.0454","0.0488","","","","","","0.9359","","","","has coordinates","177872","2020-10-21","18:00:00",""
"7038011","11.8619","0.0004","13.8835","0.0004","14.6029","0.0005","67.523","0.003","86.378","0.003","68.581","0.003","2060.52","0.13","120","2","120","2","","","","","","","","7","P -1","-P 1","2","","","","- C43 H37 Cl3 N8 Ni O S2 -","- C43 H37 Cl3 N8 Ni O S2 -","- C86 H74 Cl6 N16 Ni2 O2 S4 -","2","1","","Roebuck, James W.; Turkington, Jennifer R.; Rogers, David M.; Bailey, Philip J.; Griffin, Violina; Fischmann, Adam J.; Nichol, Gary S.; Pelser, Max; Parsons, Simon; Tasker, Peter A.","Preorganized tridentate analogues of mixed hydroxyoxime/carboxylate nickel extractants.","Dalton transactions (Cambridge, England : 2003)","2016","45","9","3734","3742","10.1039/c5dt04288g","","","0.71073","MoKα","","0.0541","0.0421","","","0.0822","0.0879","","","","","","1.048","","","","has coordinates,has disorder","211332","2020-10-21","18:00:00",""
"7038012","13.7437","0.0002","15.5676","0.0002","16.7018","0.0003","90","","94.7044","0.0014","90","","3561.42","0.09","120","","120","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C36 H38 Br2 N2 Ni O2 S2 -","- C36 H38 Br2 N2 Ni O2 S2 -","- C144 H152 Br8 N8 Ni4 O8 S8 -","4","1","","Roebuck, James W.; Turkington, Jennifer R.; Rogers, David M.; Bailey, Philip J.; Griffin, Violina; Fischmann, Adam J.; Nichol, Gary S.; Pelser, Max; Parsons, Simon; Tasker, Peter A.","Preorganized tridentate analogues of mixed hydroxyoxime/carboxylate nickel extractants.","Dalton transactions (Cambridge, England : 2003)","2016","45","9","3734","3742","10.1039/c5dt04288g","","","0.71073","MoKα","","0.0608","0.0416","","0.0649","0.0493","0.0458","","","","","","0.937","","","","has coordinates","177872","2020-10-21","18:00:00",""
"7038013","7.8582","0.0003","11.1165","0.0005","21.6544","0.0008","85.627","0.003","87.378","0.003","69.456","0.004","1765.81","0.13","120","","120","","","","","","","","","6","P -1","-P 1","2","","","","- C18 H20 Br N O S -","- C18 H20 Br N O S -","- C72 H80 Br4 N4 O4 S4 -","4","2","","Roebuck, James W.; Turkington, Jennifer R.; Rogers, David M.; Bailey, Philip J.; Griffin, Violina; Fischmann, Adam J.; Nichol, Gary S.; Pelser, Max; Parsons, Simon; Tasker, Peter A.","Preorganized tridentate analogues of mixed hydroxyoxime/carboxylate nickel extractants.","Dalton transactions (Cambridge, England : 2003)","2016","45","9","3734","3742","10.1039/c5dt04288g","","","1.54184","CuKα","","0.0553","0.0419","","0.0639","0.0552","0.0514","","","","","","1.142","","","","has coordinates","177872","2020-10-21","18:00:00",""
"7038014","30.218","0.0008","9.8763","0.0003","13.5138","0.0003","90","","107.221","0.002","90","","3852.28","0.18","293","","293","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C42 H36 N6 Ni O8 -","- C42 H36 N6 Ni O8 -","- C168 H144 N24 Ni4 O32 -","4","0.5","","Roebuck, James W.; Turkington, Jennifer R.; Rogers, David M.; Bailey, Philip J.; Griffin, Violina; Fischmann, Adam J.; Nichol, Gary S.; Pelser, Max; Parsons, Simon; Tasker, Peter A.","Preorganized tridentate analogues of mixed hydroxyoxime/carboxylate nickel extractants.","Dalton transactions (Cambridge, England : 2003)","2016","45","9","3734","3742","10.1039/c5dt04288g","","","0.71073","MoKα","","0.0457","0.0393","","0.0296","0.027","0.0261","","","","","","0.8214","","","","has coordinates","177872","2020-10-21","18:00:00",""
"7038015","22.5566","0.0009","15.2328","0.0002","13.6475","0.0005","90","","130.464","0.006","90","","3567.7","0.4","120","","120","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C35.9 N4 Ni O6 S2 -","- C35.9 N4 Ni O6 S2 -","- C143.6 N16 Ni4 O24 S8 -","4","1","","Roebuck, James W.; Turkington, Jennifer R.; Rogers, David M.; Bailey, Philip J.; Griffin, Violina; Fischmann, Adam J.; Nichol, Gary S.; Pelser, Max; Parsons, Simon; Tasker, Peter A.","Preorganized tridentate analogues of mixed hydroxyoxime/carboxylate nickel extractants.","Dalton transactions (Cambridge, England : 2003)","2016","45","9","3734","3742","10.1039/c5dt04288g","","","0.7107","MoKα","","0.0757","0.065","","0.1284","0.1231","0.1284","","","","","","1.3724","","","","has coordinates,has disorder","177872","2020-10-21","18:00:00",""
"7038016","22.819","0.005","23.509","0.006","18.669","0.004","90","","119.96","0.005","90","","8677","3","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C86 H83 Cl0.5 N6.5 Ni2 O16.49 Tb -","- C86 H72 Cl0.528 N6.472 Ni2 O16.416 Tb -","- C344 H288 Cl2.112 N25.888 Ni8 O65.664 Tb4 -","4","0.5","","Upadhyay, Apoorva; Das, Chinmoy; Langley, Stuart K.; Murray, Keith S.; Srivastava, Anant K.; Shanmugam, Maheswaran","Heteronuclear Ni(ii)-Ln(iii) (Ln = La, Pr, Tb, Dy) complexes: synthesis and single-molecule magnet behaviour.","Dalton transactions (Cambridge, England : 2003)","2016","45","8","3616","3626","10.1039/c5dt04102c","","","0.71073","MoKα","","0.1256","0.0833","","","0.2333","0.2721","","","","","","1.101","","","","has coordinates,has disorder","177851","2020-10-21","18:00:00",""
"7038017","22.935","0.005","23.393","0.005","18.574","0.004","90","","120.31","0.004","90","","8603","3","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C84 H72 N6.48 Ni2 O13.95 Pr -","- C84 H72 N6.4822 Ni2 O13.9644 Pr -","- C336 H288 N25.9288 Ni8 O55.8576 Pr4 -","4","0.5","","Upadhyay, Apoorva; Das, Chinmoy; Langley, Stuart K.; Murray, Keith S.; Srivastava, Anant K.; Shanmugam, Maheswaran","Heteronuclear Ni(ii)-Ln(iii) (Ln = La, Pr, Tb, Dy) complexes: synthesis and single-molecule magnet behaviour.","Dalton transactions (Cambridge, England : 2003)","2016","45","8","3616","3626","10.1039/c5dt04102c","","","0.71073","MoKα","","0.0977","0.0634","","","0.169","0.2039","","","","","","1.056","","","","has coordinates,has disorder","177851","2020-10-21","18:00:00",""
"7038018","23.047","0.003","23.509","0.003","18.57","0.002","90","","120.378","0.003","90","","8680.1","1.9","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C84 H72 La N6.45 Ni2 O13.9 -","- C84 H72 La N6.4453 Ni2 O13.8907 -","- C336 H288 La4 N25.7812 Ni8 O55.5628 -","4","0.5","","Upadhyay, Apoorva; Das, Chinmoy; Langley, Stuart K.; Murray, Keith S.; Srivastava, Anant K.; Shanmugam, Maheswaran","Heteronuclear Ni(ii)-Ln(iii) (Ln = La, Pr, Tb, Dy) complexes: synthesis and single-molecule magnet behaviour.","Dalton transactions (Cambridge, England : 2003)","2016","45","8","3616","3626","10.1039/c5dt04102c","","","0.71073","MoKα","","0.0818","0.0486","","","0.1435","0.1648","","","","","","1.041","","","","has coordinates,has disorder","177851","2020-10-21","18:00:00",""
"7038019","12.53","0.005","12.446","0.004","20.918","0.008","90","","102.904","0.005","90","","3180","2","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Ni2Dy2C48 H46N4O24","","- C48 H46 Dy2 N4 Ni2 O24 -","- C48 H46 Dy2 N4 Ni2 O24 -","- C96 H92 Dy4 N8 Ni4 O48 -","2","0.5","","Upadhyay, Apoorva; Das, Chinmoy; Langley, Stuart K.; Murray, Keith S.; Srivastava, Anant K.; Shanmugam, Maheswaran","Heteronuclear Ni(ii)-Ln(iii) (Ln = La, Pr, Tb, Dy) complexes: synthesis and single-molecule magnet behaviour.","Dalton transactions (Cambridge, England : 2003)","2016","45","8","3616","3626","10.1039/c5dt04102c","","","0.71075","MoKα","","0.0802","0.0726","","","0.1518","0.1591","","","","","","1.214","","","","has coordinates","177851","2020-10-21","18:00:00",""
"7038020","24.6845","0.0013","10.3099","0.0004","16.8554","0.0007","90","","91.967","0.004","90","","4287.1","0.3","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C42 H52 Dy2 N2 O12 -","- C42 H52 Dy2 N2 O12 -","- C168 H208 Dy8 N8 O48 -","4","0.5","","Zhang, Wan-Ying; Tian, Yong-Mei; Li, Hong-Feng; Chen, Peng; Sun, Wen-Bin; Zhang, Yi-Quan; Yan, Peng-Fei","A series of dinuclear Dy(iii) complexes bridged by 2-methyl-8-hydroxylquinoline: replacement on the periphery coordinated β-diketonate terminal leads to different single-molecule magnetic properties.","Dalton transactions (Cambridge, England : 2003)","2016","45","9","3863","3873","10.1039/c5dt04449a","","","0.71073","MoKα","","0.043","0.0285","","","0.0532","0.0629","","","","","","1.115","","","","has coordinates","177859","2020-10-21","18:00:00",""
"7038021","13.0887","0.0008","13.5801","0.0008","13.5961","0.0007","102.811","0.005","112.601","0.005","111.598","0.006","1879.6","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C86 H74 Dy2 N2 O10 -","- C86 H74 Dy2 N2 O10 -","- C86 H74 Dy2 N2 O10 -","1","0.5","","Zhang, Wan-Ying; Tian, Yong-Mei; Li, Hong-Feng; Chen, Peng; Sun, Wen-Bin; Zhang, Yi-Quan; Yan, Peng-Fei","A series of dinuclear Dy(iii) complexes bridged by 2-methyl-8-hydroxylquinoline: replacement on the periphery coordinated β-diketonate terminal leads to different single-molecule magnetic properties.","Dalton transactions (Cambridge, England : 2003)","2016","45","9","3863","3873","10.1039/c5dt04449a","","","0.71073","MoKα","","0.0596","0.0455","","","0.1085","0.1221","","","","","","1.138","","","","has coordinates,has disorder","177859","2020-10-21","18:00:00",""
"7038022","20.221","0.0005","16.0209","0.0004","21.3696","0.0005","90","","90.168","0.002","90","","6922.8","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C64 H92 Dy2 N2 O10 -","- C64 H92 Dy2 N2 O10 -","- C256 H368 Dy8 N8 O40 -","4","1","","Zhang, Wan-Ying; Tian, Yong-Mei; Li, Hong-Feng; Chen, Peng; Sun, Wen-Bin; Zhang, Yi-Quan; Yan, Peng-Fei","A series of dinuclear Dy(iii) complexes bridged by 2-methyl-8-hydroxylquinoline: replacement on the periphery coordinated β-diketonate terminal leads to different single-molecule magnetic properties.","Dalton transactions (Cambridge, England : 2003)","2016","45","9","3863","3873","10.1039/c5dt04449a","","","0.71073","MoKα","","0.0796","0.0471","","","0.092","0.1094","","","","","","1.087","","","","has coordinates,has disorder","177859","2020-10-21","18:00:00",""
"7038023","12.076","0.0006","12.7204","0.0006","12.9553","0.0006","105.245","0.004","112.104","0.004","106.283","0.004","1610.82","0.17","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C50 H24 Dy2 F36 N2 O14 -","- C50 H24 Dy2 F36 N2 O14 -","- C50 H24 Dy2 F36 N2 O14 -","1","0.5","","Zhang, Wan-Ying; Tian, Yong-Mei; Li, Hong-Feng; Chen, Peng; Sun, Wen-Bin; Zhang, Yi-Quan; Yan, Peng-Fei","A series of dinuclear Dy(iii) complexes bridged by 2-methyl-8-hydroxylquinoline: replacement on the periphery coordinated β-diketonate terminal leads to different single-molecule magnetic properties.","Dalton transactions (Cambridge, England : 2003)","2016","45","9","3863","3873","10.1039/c5dt04449a","","","0.71073","MoKα","","0.0503","0.0403","","","0.0967","0.1054","","","","","","1.051","","","","has coordinates,has disorder","177859","2020-10-21","18:00:00",""
"7038024","14.8105","0.0017","15.0739","0.0019","22.094","0.003","87.488","0.004","71.694","0.004","78.638","0.004","4590.3","1","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C160 H156 B8 Br8 F32 Fe4 N38 O9 -","- C160 H156 B8 Br8 F32 Fe4 N38 O9 -","- C160 H156 B8 Br8 F32 Fe4 N38 O9 -","1","0.5","","Martínez-Ferraté, Oriol; López-Valbuena, Josep M; Belmonte, Marta Martínez; White, Andrew J. P.; Benet-Buchholz, Jordi; Britovsek, George J. P.; Claver, Carmen; van Leeuwen, Piet W. N. M.","Novel iminopyridine derivatives: ligands for preparation of Fe(ii) and Cu(ii) dinuclear complexes.","Dalton transactions (Cambridge, England : 2003)","2016","45","8","3564","3576","10.1039/c5dt04358a","","","0.71073","MoKα","","0.0744","0.0448","","","0.092","0.1015","","","","","","1.037","","","","has coordinates,has disorder","177832","2020-10-21","18:00:00",""
"7038025","23.97","0.002","12.0604","0.001","27.714","0.003","90","","107.472","0.003","90","","7642.1","1.2","100","2","100","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C70 H62 B4 Br4 F16 Fe2 N14 O4 -","- C70 H62 B4 Br4 F16 Fe2 N14 O4 -","- C280 H248 B16 Br16 F64 Fe8 N56 O16 -","4","1","","Martínez-Ferraté, Oriol; López-Valbuena, Josep M; Belmonte, Marta Martínez; White, Andrew J. P.; Benet-Buchholz, Jordi; Britovsek, George J. P.; Claver, Carmen; van Leeuwen, Piet W. N. M.","Novel iminopyridine derivatives: ligands for preparation of Fe(ii) and Cu(ii) dinuclear complexes.","Dalton transactions (Cambridge, England : 2003)","2016","45","8","3564","3576","10.1039/c5dt04358a","","","0.71073","MoKα","","0.1604","0.0744","","","0.1836","0.2256","","","","","","1.025","","","","has coordinates,has disorder","177832","2020-10-21","18:00:00",""
"7038026","23.784","0.004","12.12","0.002","27.502","0.004","90","","106.953","0.005","90","","7583","2","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C74 H74 B4 F16 Fe2 N14 O4 -","- C74 H74 B4 F16 Fe2 N14 O4 -","- C296 H296 B16 F64 Fe8 N56 O16 -","4","1","","Martínez-Ferraté, Oriol; López-Valbuena, Josep M; Belmonte, Marta Martínez; White, Andrew J. P.; Benet-Buchholz, Jordi; Britovsek, George J. P.; Claver, Carmen; van Leeuwen, Piet W. N. M.","Novel iminopyridine derivatives: ligands for preparation of Fe(ii) and Cu(ii) dinuclear complexes.","Dalton transactions (Cambridge, England : 2003)","2016","45","8","3564","3576","10.1039/c5dt04358a","","","0.71073","MoKα","","0.1694","0.0809","","","0.1705","0.2068","","","","","","1.051","","","","has coordinates","177832","2020-10-21","18:00:00",""
"7038027","23.8568","0.0005","23.8568","0.0005","13.3382","0.0003","90","","90","","90","","7591.4","0.3","100","2","100","2","","","","","","","","7","P 42/n :2","-P 4bc","86","","","","- C72 H77 B4 F16 Fe2 N15 O4 -","- C72 H77 B4 F16 Fe2 N15 O4 -","- C288 H308 B16 F64 Fe8 N60 O16 -","4","0.5","","Martínez-Ferraté, Oriol; López-Valbuena, Josep M; Belmonte, Marta Martínez; White, Andrew J. P.; Benet-Buchholz, Jordi; Britovsek, George J. P.; Claver, Carmen; van Leeuwen, Piet W. N. M.","Novel iminopyridine derivatives: ligands for preparation of Fe(ii) and Cu(ii) dinuclear complexes.","Dalton transactions (Cambridge, England : 2003)","2016","45","8","3564","3576","10.1039/c5dt04358a","","","0.71073","MoKα","","0.1123","0.0713","","","0.2027","0.2464","","","","","","1.03","","","","has coordinates,has disorder","177832","2020-10-21","18:00:00",""
"7038028","13.8574","0.0005","15.1473","0.0006","17.5298","0.0006","91.244","0.002","98.057","0.002","98.426","0.002","3600.5","0.2","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C32.5 H30 Cu F6 N4 O9.5 S2 -","- C32.5 H30 Cu F6 N4 O9.5 S2 -","- C130 H120 Cu4 F24 N16 O38 S8 -","4","2","","Martínez-Ferraté, Oriol; López-Valbuena, Josep M; Belmonte, Marta Martínez; White, Andrew J. P.; Benet-Buchholz, Jordi; Britovsek, George J. P.; Claver, Carmen; van Leeuwen, Piet W. N. M.","Novel iminopyridine derivatives: ligands for preparation of Fe(ii) and Cu(ii) dinuclear complexes.","Dalton transactions (Cambridge, England : 2003)","2016","45","8","3564","3576","10.1039/c5dt04358a","","","0.71073","MoKα","","0.1146","0.061","","","0.1663","0.1923","","","","","","1.099","","","","has coordinates","177832","2020-10-21","18:00:00",""
"7038029","17.9757","0.0006","17.0848","0.0003","16.183","0.0004","90","","115.994","0.004","90","","4467.2","0.3","173","","173","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C78 H76 F12 Fe2 N14 O17 S4 -","- C78 H76 F12 Fe2 N14 O17 S4 -","- C156 H152 F24 Fe4 N28 O34 S8 -","2","0.5","","Martínez-Ferraté, Oriol; López-Valbuena, Josep M; Belmonte, Marta Martínez; White, Andrew J. P.; Benet-Buchholz, Jordi; Britovsek, George J. P.; Claver, Carmen; van Leeuwen, Piet W. N. M.","Novel iminopyridine derivatives: ligands for preparation of Fe(ii) and Cu(ii) dinuclear complexes.","Dalton transactions (Cambridge, England : 2003)","2016","45","8","3564","3576","10.1039/c5dt04358a","","","0.71073","MoKα","","0.1003","0.0615","","","0.1726","0.194","","","","","","1.097","","","","has coordinates,has disorder","177832","2020-10-21","18:00:00",""
"7038030","13.0865","0.0003","24.7981","0.0006","24.8927","0.0006","114.155","0.002","98.177","0.0018","104.821","0.0019","6840.8","0.3","173","","173","","","","","","","","","7","P -1","-P 1","2","","","","- C84.83 H68.33 F12 Fe2 N11 O16.83 S4 -","- C82.8333 H65.3333 F12 Fe2 N10 O16.8333 S4 -","- C248.5 H196 F36 Fe6 N30 O50.5 S12 -","3","1.5","","Martínez-Ferraté, Oriol; López-Valbuena, Josep M; Belmonte, Marta Martínez; White, Andrew J. P.; Benet-Buchholz, Jordi; Britovsek, George J. P.; Claver, Carmen; van Leeuwen, Piet W. N. M.","Novel iminopyridine derivatives: ligands for preparation of Fe(ii) and Cu(ii) dinuclear complexes.","Dalton transactions (Cambridge, England : 2003)","2016","45","8","3564","3576","10.1039/c5dt04358a","","","0.71073","MoKα","","0.101","0.0721","","","0.2104","0.2318","","","","","","1.103","","","","has coordinates,has disorder","177832","2020-10-21","18:00:00",""
"7038031","8.8749","0.0005","15.2823","0.0008","12.9264","0.0007","90","","104.857","0.002","90","","1694.58","0.16","113","2","113","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C16 H18 F12 Mg N8 O8 S4 -","- C16 H18 F12 Mg N8 O8 S4 -","- C32 H36 F24 Mg2 N16 O16 S8 -","2","0.5","","Veryasov, Gleb; Matsumoto, Kazuhiko; Hagiwara, Rika","Homoleptic octahedral coordination of CH3CN to Mg(2+) in the Mg[N(SO2CF3)2]2-CH3CN system.","Dalton transactions (Cambridge, England : 2003)","2016","45","7","2810","2813","10.1039/c5dt04821d","","","0.71073","MoKα","","0.034","0.0301","","","0.0807","0.0825","","","","","","1.078","","","","has coordinates","177789","2020-10-21","18:00:00",""
"7038032","57.01","0.02","24.477","0.011","18.797","0.007","90","","103.494","0.011","90","","25506","17","93","","93","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C54 H192 Cr10 N18 O197 P2 W24 -","- C54 H28 Cr9 N18 O142 P2 W24 -","- C216 H112 Cr36 N72 O568 P8 W96 -","4","0.5","","Kawahara, Ryosuke; Niinomi, Kazuma; Kondo, Junko N.; Hibino, Mitsuhiro; Mizuno, Noritaka; Uchida, Sayaka","A functional mesoporous ionic crystal based on polyoxometalate.","Dalton transactions (Cambridge, England : 2003)","2016","45","7","2805","2809","10.1039/c5dt04556h","","","0.7107","MoKα","","0.0847","0.0636","","","0.165","0.1841","","","","","","1.064","","","","has coordinates","177792","2020-10-21","18:00:00",""
"7038033","22.9048","0.0007","11.6124","0.0004","25.6316","0.0008","90","","95.099","0.002","90","","6790.5","0.4","200","2","200","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C72 H76 O4 P2 S2 Si2 U -","- C72 H76 O4 P2 S2 Si2 U -","- C288 H304 O16 P8 S8 Si8 U4 -","4","0.5","","Kiernicki, J. J.; Harwood, J. S.; Fanwick, P. E.; Bart, S. C.","Reductive silylation of Cp*UO2((Mes)PDI(Me)) promoted by Lewis bases.","Dalton transactions (Cambridge, England : 2003)","2016","45","7","3111","3119","10.1039/c5dt04776e","","","1.54178","CuKα","","0.0588","0.0552","","","0.1515","0.1614","","","","","","1.132","","","","has coordinates","177771","2020-10-21","18:00:00",""
"7038034","29.2654","0.0007","18.0309","0.0004","15.5926","0.0004","90","","91.09","0.002","90","","8226.4","0.3","200","2","200","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C88 H92 Cl2 O8 P2 Si2 U -","- C88 H92 Cl2 O8 P2 Si2 U -","- C352 H368 Cl8 O32 P8 Si8 U4 -","4","0.5","","Kiernicki, J. J.; Harwood, J. S.; Fanwick, P. E.; Bart, S. C.","Reductive silylation of Cp*UO2((Mes)PDI(Me)) promoted by Lewis bases.","Dalton transactions (Cambridge, England : 2003)","2016","45","7","3111","3119","10.1039/c5dt04776e","","","1.54178","CuKα","","0.0595","0.0568","","","0.1657","0.1694","","","","","","1.164","","","","has coordinates","177771","2020-10-21","18:00:00",""
"7038035","14.0951","0.0003","18.5493","0.0004","17.7595","0.0005","90","","92.379","0.001","90","","4639.29","0.19","200","2","200","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C34 H49 F6 O11 P S2 Si2 U -","- C34 H49 F6 O11 P S2 Si2 U -","- C136 H196 F24 O44 P4 S8 Si8 U4 -","4","1","","Kiernicki, J. J.; Harwood, J. S.; Fanwick, P. E.; Bart, S. C.","Reductive silylation of Cp*UO2((Mes)PDI(Me)) promoted by Lewis bases.","Dalton transactions (Cambridge, England : 2003)","2016","45","7","3111","3119","10.1039/c5dt04776e","","","1.54178","CuKα","","0.0474","0.0459","","","0.1234","0.1247","","","","","","1.056","","","","has coordinates","177771","2020-10-21","18:00:00",""
"7038036","10.3801","0.0007","11.9238","0.0009","12.6051","0.0012","76.394","0.006","67.826","0.006","67.689","0.005","1328.9","0.2","200","2","200","2","","","","","","","","7","P -1","-P 1","2","","","","- C49 H56 I2 O4 P2 Si2 U -","- C49 H56 I2 O4 P2 Si2 U -","- C49 H56 I2 O4 P2 Si2 U -","1","0.5","","Kiernicki, J. J.; Harwood, J. S.; Fanwick, P. E.; Bart, S. C.","Reductive silylation of Cp*UO2((Mes)PDI(Me)) promoted by Lewis bases.","Dalton transactions (Cambridge, England : 2003)","2016","45","7","3111","3119","10.1039/c5dt04776e","","","1.54178","CuKα","","0.0554","0.0521","","","0.1464","0.1498","","","","","","1.126","","","","has coordinates","177771","2020-10-21","18:00:00",""
"7038037","17.868","0.004","20.685","0.004","29.557","0.006","83.25","0.03","72.87","0.03","64.81","0.03","9446","4","113.15","","113.15","","","","","","","","","6","P -1","-P 1","2","","","","- C244 H220.54 Br28 N40 Ni28 O74 -","- C244 H220.548 Br28 N40 Ni28 O74 -","- C244 H220.548 Br28 N40 Ni28 O74 -","1","0.5","","Zhang, Yanping; Lv, Rui; Wang, Jingyao; Yang, lin-yan; Liao, sheng-yun; Tian, Jin-Lei; Gu, Wen; Liu, Xin","Two novel μ6-O2- bridged Co14/Ni14 hydroxamate Clusters packed in distorted face-centered cubic patterns","Dalton Trans.","2016","","","","","10.1039/C5DT03974F","","","0.71073","MoKα","","0.1736","0.0922","","","0.2393","0.2934","","","","","","0.998","","","","has coordinates,has disorder","174561","2020-10-21","18:00:00",""
"7038038","19.02","0.004","30.995","0.006","31.396","0.006","90","","90","","90","","18509","6","113.15","","113.15","","","","","","","","","6","A e a 2","A 2 -2ab","41","","","","- C145 H167 Br14 Co14 N28 O44 -","- C145 H167 Br14 Co14 N28 O44 -","- C580 H668 Br56 Co56 N112 O176 -","4","0.5","","Zhang, Yanping; Lv, Rui; Wang, Jingyao; Yang, Linyan; Liao, Shengyun; Tian, Jinlei; Gu, Wen; Liu, Xin","Two novel μ6-O2- bridged Co14/Ni14 hydroxamate Clusters packed in distorted face-centered cubic patterns","Dalton Transactions","2016","45","8","3247","3250","10.1039/C5DT03974F","","","0.71073","MoKα","","0.1076","0.0735","","","0.1634","0.1807","","","","","","1.065","","","","has coordinates,has disorder","206167","2020-10-21","18:00:00",""
"7038039","9.069","0.002","22.886","0.006","20.28","0.005","90","","92.301","0.004","90","","4205.8","1.8","183","2","183","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C47 H42 Cl5 Co N5 -","- C47 H42 Cl5 Co N5 -","- C188 H168 Cl20 Co4 N20 -","4","1","","Ibrahim, Abdulrahman D.; Tokmic, Kenan; Brennan, Marshall R.; Kim, Dongyoung; Matson, Ellen M.; Nilges, Mark J.; Bertke, Jeffery A.; Fout, Alison R.","Monoanionic bis(carbene) pincer complexes featuring cobalt(I-III) oxidation states.","Dalton transactions (Cambridge, England : 2003)","2016","45","24","9805","9811","10.1039/c5dt04723d","","","0.71073","MoKα","","0.1213","0.0532","","","0.0953","0.1206","","","","","","1.005","","","","has coordinates","185384","2020-10-21","18:00:00",""
"7038040","12.3483","0.0006","13.3152","0.0007","16.1489","0.0009","107.661","0.003","90.213","0.002","115.791","0.002","2249.4","0.2","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C56 H48 Co N6 P -","- C56 H48 Co N6 P -","- C112 H96 Co2 N12 P2 -","2","1","","Ibrahim, Abdulrahman D.; Tokmic, Kenan; Brennan, Marshall R.; Kim, Dongyoung; Matson, Ellen M.; Nilges, Mark J.; Bertke, Jeffery A.; Fout, Alison R.","Monoanionic bis(carbene) pincer complexes featuring cobalt(I-III) oxidation states.","Dalton transactions (Cambridge, England : 2003)","2016","45","24","9805","9811","10.1039/c5dt04723d","","","0.71073","MoKα","","0.052","0.0371","","","0.0862","0.0931","","","","","","1.03","","","","has coordinates","185384","2020-10-21","18:00:00",""
"7038041","14.4441","0.0018","20.502","0.003","16.521","0.002","90","","98.68","0.008","90","","4836.4","1.1","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C51 H54 Cl Co N5 O2 -","- C51 H54 Cl Co N5 O2 -","- C204 H216 Cl4 Co4 N20 O8 -","4","1","","Ibrahim, Abdulrahman D.; Tokmic, Kenan; Brennan, Marshall R.; Kim, Dongyoung; Matson, Ellen M.; Nilges, Mark J.; Bertke, Jeffery A.; Fout, Alison R.","Monoanionic bis(carbene) pincer complexes featuring cobalt(I-III) oxidation states.","Dalton transactions (Cambridge, England : 2003)","2016","45","24","9805","9811","10.1039/c5dt04723d","","","0.71073","MoKα","","0.1036","0.0596","","","0.1394","0.1499","","","","","","0.901","","","","has coordinates,has disorder","185384","2020-10-21","18:00:00",""
"7038042","10.9123","0.0019","13.358","0.002","15.72","0.003","65.272","0.007","78.937","0.008","69.194","0.008","1943.1","0.6","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C47 H48 Co N6 -","- C47 H48 Co N6 -","- C94 H96 Co2 N12 -","2","1","","Ibrahim, Abdulrahman D.; Tokmic, Kenan; Brennan, Marshall R.; Kim, Dongyoung; Matson, Ellen M.; Nilges, Mark J.; Bertke, Jeffery A.; Fout, Alison R.","Monoanionic bis(carbene) pincer complexes featuring cobalt(I-III) oxidation states.","Dalton transactions (Cambridge, England : 2003)","2016","45","24","9805","9811","10.1039/c5dt04723d","","","0.71073","MoKα","","0.0685","0.0481","","","0.1106","0.1176","","","","","","1.087","","","","has coordinates,has disorder","185384","2020-10-21","18:00:00",""
"7038043","36.876","0.003","15.1289","0.0011","22.0454","0.0017","90","","121.969","0.002","90","","10433.7","1.4","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C49 H50 Cl Co N5 -","- C49 H50 Cl Co N5 -","- C392 H400 Cl8 Co8 N40 -","8","1","","Ibrahim, Abdulrahman D.; Tokmic, Kenan; Brennan, Marshall R.; Kim, Dongyoung; Matson, Ellen M.; Nilges, Mark J.; Bertke, Jeffery A.; Fout, Alison R.","Monoanionic bis(carbene) pincer complexes featuring cobalt(I-III) oxidation states.","Dalton transactions (Cambridge, England : 2003)","2016","45","24","9805","9811","10.1039/c5dt04723d","","","0.71073","MoKα","","0.0938","0.0577","","","0.1612","0.1709","","","","","","0.979","","","","has coordinates,has disorder","185384","2020-10-21","18:00:00",""
"7038044","14.7605","0.0005","17.6571","0.0006","17.8623","0.0005","90","","91.1198","0.0013","90","","4654.5","0.3","105","2","104.86","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C55 H56 Cl2 Co N5 -","- C55 H56 Cl2 Co N5 -","- C220 H224 Cl8 Co4 N20 -","4","1","","Ibrahim, Abdulrahman D.; Tokmic, Kenan; Brennan, Marshall R.; Kim, Dongyoung; Matson, Ellen M.; Nilges, Mark J.; Bertke, Jeffery A.; Fout, Alison R.","Monoanionic bis(carbene) pincer complexes featuring cobalt(I-III) oxidation states.","Dalton transactions (Cambridge, England : 2003)","2016","45","24","9805","9811","10.1039/c5dt04723d","","","0.71073","MoKα","","0.0586","0.05","","","0.1416","0.1499","","","","","","1.023","","","","has coordinates,has disorder","185384","2020-10-21","18:00:00",""
"7038045","11.6395","0.0002","33.6792","0.0005","14.0382","0.0002","90","","91.577","0.001","90","","5501.02","0.15","140","2","140","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C42 H80 Mo6 N4 O18 -","- C42 H80 Mo6 N4 O18 -","- C168 H320 Mo24 N16 O72 -","4","1","","Al-Yasari, Ahmed; Van Steerteghem, Nick; El Moll, Hani; Clays, Koen; Fielden, John","Donor-acceptor organo-imido polyoxometalates: high transparency, high activity redox-active NLO chromophores.","Dalton transactions (Cambridge, England : 2003)","2016","45","7","2818","2822","10.1039/c6dt00115g","","","0.71073","MoKα","","0.0758","0.0566","","","0.0888","0.0948","","","","","","1.191","","","","has coordinates","177777","2020-10-21","18:00:00",""
"7038046","17.559","0.0011","17.7832","0.0013","19.6079","0.0014","90","","90","","90","","6122.7","0.7","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C50 H84 Mo6 N4 O18 -","- C50 H84 Mo6 N4 O18 -","- C200 H336 Mo24 N16 O72 -","4","1","","Al-Yasari, Ahmed; Van Steerteghem, Nick; El Moll, Hani; Clays, Koen; Fielden, John","Donor-acceptor organo-imido polyoxometalates: high transparency, high activity redox-active NLO chromophores.","Dalton transactions (Cambridge, England : 2003)","2016","45","7","2818","2822","10.1039/c6dt00115g","","","0.71073","MoKα","","0.1717","0.0702","","","0.1543","0.1956","","","","","","0.914","","","","has coordinates,has disorder","177777","2020-10-21","18:00:00",""
"7038047","15.9271","0.0011","24.5421","0.0017","29.984","0.002","90","","90","","90","","11720.3","1.4","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C46 H82 Mo6 N4 O18 -","- C46 H82 Mo6 N4 O18 -","- C368 H656 Mo48 N32 O144 -","8","2","","Al-Yasari, Ahmed; Van Steerteghem, Nick; El Moll, Hani; Clays, Koen; Fielden, John","Donor-acceptor organo-imido polyoxometalates: high transparency, high activity redox-active NLO chromophores.","Dalton transactions (Cambridge, England : 2003)","2016","45","7","2818","2822","10.1039/c6dt00115g","","x-ray","0.71073","MoKα","","0.0558","0.0533","","","0.1442","0.1466","","","","","","0.985","","","","has coordinates,has disorder","177777","2020-10-21","18:00:00",""
"7038048","9.2054","0.0006","19.1898","0.0011","17.0401","0.001","90","","90","","90","","3010.1","0.3","298","2","298","2","","","","","","","","6","P c c n","-P 2ab 2ac","56","","","","- C26 H28 N6 O4 Ru S2 -","- C26 H28 N6 O4 Ru S2 -","- C104 H112 N24 O16 Ru4 S8 -","4","0.5","","Cadranel, Alejandro; Pieslinger, German E.; Tongying, Pornthip; Kuno, Masaru K.; Baraldo, Luis M.; Hodak, José H","Spectroscopic signatures of ligand field states in {Ru(II)(imine)} complexes.","Dalton transactions (Cambridge, England : 2003)","2016","45","13","5464","5475","10.1039/c5dt04332h","","","0.71069","MoKα","","0.0872","0.0603","","","0.1613","0.2042","","","","","","1.052","","","","has coordinates","181638","2020-10-21","18:00:00",""
"7038049","16.4117","0.0013","8.6059","0.0006","22.4415","0.0014","90","","125.229","0.004","90","","2589.1","0.3","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C46 H82 Li4 N2 P4 -","- C46 H82 Li4 N2 P4 -","- C92 H164 Li8 N4 P8 -","2","0.5","","Simler, Thomas; Frison, Gilles; Braunstein, Pierre; Danopoulos, Andreas A.","Direct synthesis of doubly deprotonated, dearomatised lutidine PNP Cr and Zr pincer complexes based on isolated K and Li ligand transfer reagents.","Dalton transactions (Cambridge, England : 2003)","2016","45","7","2800","2804","10.1039/c6dt00144k","","","0.71073","MoKα","","0.0913","0.0582","","","0.1423","0.1618","","","","","","1.018","","","","has coordinates","177782","2020-10-21","18:00:00",""
"7038050","17.0266","0.0014","18.1629","0.0015","19.1642","0.0015","90","","90","","90","","5926.6","0.8","173","2","173","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C46 H82 Cl2 Cr3 N2 P4 -","- C46 H82 Cl2 Cr3 N2 P4 -","- C184 H328 Cl8 Cr12 N8 P16 -","4","1","","Simler, Thomas; Frison, Gilles; Braunstein, Pierre; Danopoulos, Andreas A.","Direct synthesis of doubly deprotonated, dearomatised lutidine PNP Cr and Zr pincer complexes based on isolated K and Li ligand transfer reagents.","Dalton transactions (Cambridge, England : 2003)","2016","45","7","2800","2804","10.1039/c6dt00144k","","","0.71073","MoKα","","0.1515","0.0731","","","0.121","0.1396","","","","","","0.898","","","","has coordinates,has disorder","177782","2020-10-21","18:00:00",""
"7038051","15.8964","0.0013","21.1004","0.0017","33.285","0.003","90","","90","","90","","11164.5","1.6","173","2","173","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C23 H41 Cl2 N P2 Zr -","- C23 H41 Cl2 N P2 Zr -","- C368 H656 Cl32 N16 P32 Zr16 -","16","2","","Simler, Thomas; Frison, Gilles; Braunstein, Pierre; Danopoulos, Andreas A.","Direct synthesis of doubly deprotonated, dearomatised lutidine PNP Cr and Zr pincer complexes based on isolated K and Li ligand transfer reagents.","Dalton transactions (Cambridge, England : 2003)","2016","45","7","2800","2804","10.1039/c6dt00144k","","","0.71073","MoKα","","0.1509","0.087","","","0.1267","0.1408","","","","","","1.195","","","","has coordinates","177782","2020-10-21","18:00:00",""
"7038052","11.757","0.0004","18.388","0.0007","18.4659","0.0007","82.14","0.003","72.251","0.002","72.692","0.002","3625.3","0.2","150","","150","","","","","","","","","5","P -1","-P 1","2","","","","- C67 H58 Dy2 F18 O19 -","- C67 H58 Dy2 F18 O19 -","- C134 H116 Dy4 F36 O38 -","2","1","","Li, Hongfeng; Chen, Peng; Sun, Wenbin; Zhang, Lei; Yan, Pengfei","Solvent triggered structural diversity of triple-stranded helicates: single molecular magnets.","Dalton transactions (Cambridge, England : 2003)","2016","45","7","3175","3181","10.1039/c5dt04608d","","","0.71073","MoKα","","0.1319","0.1126","","","0.227","0.2385","","","","","","1.159","","","","has coordinates,has disorder","177794","2020-10-21","18:00:00",""
"7038053","10.9663","0.0004","17.7641","0.0004","18.9915","0.0006","94.042","0.002","101.496","0.003","103.186","0.003","3503.7","0.2","150","","150","","","","","","","","","5","P -1","-P 1","2","","","","- C68 H50 Dy2 F18 O16 -","- C68 H50 Dy2 F18 O16 -","- C136 H100 Dy4 F36 O32 -","2","1","","Li, Hongfeng; Chen, Peng; Sun, Wenbin; Zhang, Lei; Yan, Pengfei","Solvent triggered structural diversity of triple-stranded helicates: single molecular magnets.","Dalton transactions (Cambridge, England : 2003)","2016","45","7","3175","3181","10.1039/c5dt04608d","","","0.71073","MoKα","","0.077","0.0569","","","0.1263","0.1349","","","","","","1.123","","","","has coordinates,has disorder","177794","2020-10-21","18:00:00",""
"7038054","14.7143","0.0003","15.2959","0.0003","20.6256","0.0005","82.262","0.002","72.683","0.002","80.0374","0.0019","4347.83","0.17","150","","150","","","","","","","","","5","P -1","-P 1","2","","","","- C82 H78 Dy2 F18 O25 -","- C82 H78 Dy2 F18 O25 -","- C164 H156 Dy4 F36 O50 -","2","1","","Li, Hongfeng; Chen, Peng; Sun, Wenbin; Zhang, Lei; Yan, Pengfei","Solvent triggered structural diversity of triple-stranded helicates: single molecular magnets.","Dalton transactions (Cambridge, England : 2003)","2016","45","7","3175","3181","10.1039/c5dt04608d","","","0.71073","MoKα","","0.0593","0.0391","","","0.0856","0.0966","","","","","","1.068","","","","has coordinates,has disorder","177794","2020-10-21","18:00:00",""
"7038055","12.3841","0.0005","12.6832","0.0005","14.0207","0.0005","83.141","0.003","74.515","0.003","72.32","0.004","2020.29","0.14","223","0.2","223","0.2","","","","","","","","6","P -1","-P 1","2","","","","- C5.56 H0 N3.56 Nd0.22 O0.67 Si0.44 -","- C6.88889 N0.888889 Nd0.222222 O0.444444 Si0.444444 -","- C62 N8 Nd2 O4 Si4 -","9","4.5","","Zhao, Bei; Xiao, Yang; Yuan, Dan; Lu, Chengrong; Yao, Yingming","Synthesis and characterization of bridged bis(amidato) rare earth metal amides and their applications in C-N bond formation reactions.","Dalton transactions (Cambridge, England : 2003)","2016","45","9","3880","3887","10.1039/c5dt04217h","","","0.71073","MoKα","","0.0869","0.0788","","","0.2662","0.2742","","","","","","2.148","","","","has coordinates","177852","2020-10-21","18:00:00",""
"7038056","13.8887","0.0003","11.736","0.0003","24.6902","0.0007","90","","103.731","0.003","90","","3909.43","0.18","253","2","253","2","","","","","","","","6","P 1 2/c 1","-P 2yc","13","","","","- C70 H116 La2 N6 O6 Si4 -","- C70 H116 La2 N6 O6 Si4 -","- C140 H232 La4 N12 O12 Si8 -","2","0.5","","Zhao, Bei; Xiao, Yang; Yuan, Dan; Lu, Chengrong; Yao, Yingming","Synthesis and characterization of bridged bis(amidato) rare earth metal amides and their applications in C-N bond formation reactions.","Dalton transactions (Cambridge, England : 2003)","2016","45","9","3880","3887","10.1039/c5dt04217h","","","0.71073","MoKα","","0.0542","0.0412","","","0.1089","0.1167","","","","","","1.083","","","","has coordinates","177852","2020-10-21","18:00:00",""
"7038057","13.8427","0.0003","11.6716","0.0002","24.6885","0.0006","90","","103.905","0.002","90","","3871.94","0.15","293","2","293","2","","","","","","","","6","P 1 c 1","P -2yc","7","","","","- C74 H100 N6 Nd2 O4 Si4 -","- C74 H100 N6 Nd2 O4 Si4 -","- C148 H200 N12 Nd4 O8 Si8 -","2","1","","Zhao, Bei; Xiao, Yang; Yuan, Dan; Lu, Chengrong; Yao, Yingming","Synthesis and characterization of bridged bis(amidato) rare earth metal amides and their applications in C-N bond formation reactions.","Dalton transactions (Cambridge, England : 2003)","2016","45","9","3880","3887","10.1039/c5dt04217h","","","0.71073","MoKα","","0.0502","0.0389","","","0.1016","0.1085","","","","","","1.071","","","","has coordinates","177852","2020-10-21","18:00:00",""
"7038058","20.64","0.04","19.893","0.016","20.36","0.02","90","","116.442","0.017","90","","7485","17","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C65 H56 N6 Nd2 O4 Si4 -","- C65 H52 N6 Nd2 O4 Si4 -","- C260 H208 N24 Nd8 O16 Si16 -","4","0.5","","Zhao, Bei; Xiao, Yang; Yuan, Dan; Lu, Chengrong; Yao, Yingming","Synthesis and characterization of bridged bis(amidato) rare earth metal amides and their applications in C-N bond formation reactions.","Dalton transactions (Cambridge, England : 2003)","2016","45","9","3880","3887","10.1039/c5dt04217h","","","0.71075","MoKα","","0.1006","0.0754","","","0.1809","0.203","","","","","","1.091","","","","has coordinates,has disorder","177852","2020-10-21","18:00:00",""
"7038059","16.7031","0.0003","17.8338","0.0003","27.9186","0.0006","90","","104.869","0.0019","90","","8037.9","0.3","223","2","223","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C262 H424 La8 N32 O16 Si16 -","- C262 H424 La8 N32 O16 Si16 -","- C262 H424 La8 N32 O16 Si16 -","1","0.25","","Zhao, Bei; Xiao, Yang; Yuan, Dan; Lu, Chengrong; Yao, Yingming","Synthesis and characterization of bridged bis(amidato) rare earth metal amides and their applications in C-N bond formation reactions.","Dalton transactions (Cambridge, England : 2003)","2016","45","9","3880","3887","10.1039/c5dt04217h","","","0.71073","MoKα","","0.0746","0.0501","","","0.119","0.1349","","","","","","1.059","","","","has coordinates,has disorder","177852","2020-10-21","18:00:00",""
"7038060","14.843","0.0004","26.486","0.0007","27.973","0.0008","90","","90","","90","","10997.1","0.5","220","2","220","2","","","","","","","","5","F d 2 d","F -2d -2d","43","","","","- C68 H58 Ir2 N4 O4 -","- C68 H58 Ir2 N4 O4 -","- C544 H464 Ir16 N32 O32 -","8","0.5","","Fernández-Cestau, Julio; Giménez, Nora; Lalinde, Elena; Montaño, Patricia; Moreno, M. Teresa; Sánchez, Sergio; Weber, Michael D.; Costa, Rubén D","Alkynyl bridged cyclometalated Ir2M2 clusters: impact of the heterometal in the photo- and electro-luminescence properties.","Dalton transactions (Cambridge, England : 2003)","2016","45","8","3251","3255","10.1039/c5dt04027b","","x-ray","0.71073","MoKα","","0.0311","0.0243","","","0.0483","0.0503","","","","","","1.029","","","","has coordinates","177828","2020-10-21","18:00:00",""
"7038061","15.1965","0.0006","15.8191","0.0007","17.1188","0.0004","68.885","0.002","77.294","0.002","71.265","0.001","3610.2","0.2","173","1","173","2","","","","","","","synthesis as described","7","P -1","-P 1","2","","","","- C82 H64 Ag2 Cl4 Ir2 N4 O4 -","- C81 H62 Ag2 Cl2 Ir2 N4 O4 -","- C162 H124 Ag4 Cl4 Ir4 N8 O8 -","2","1","","Fernández-Cestau, Julio; Giménez, Nora; Lalinde, Elena; Montaño, Patricia; Moreno, M. Teresa; Sánchez, Sergio; Weber, Michael D.; Costa, Rubén D","Alkynyl bridged cyclometalated Ir2M2 clusters: impact of the heterometal in the photo- and electro-luminescence properties.","Dalton transactions (Cambridge, England : 2003)","2016","45","8","3251","3255","10.1039/c5dt04027b","","x-ray","0.71073","MoKα","","0.0684","0.0446","","","0.1054","0.1134","","","","","","1.031","","","","has coordinates","177828","2020-10-21","18:00:00",""
"7038062","17.594","0.0004","17.594","0.0004","21.059","0.0007","90","","90","","90","","6518.8","0.3","173","1","173","1","","","","","","","","6","I -4","I -4","82","","","","- C80 H60 Cu2 Ir2 N4 O4 -","- C80 H60 Cu2 Ir2 N4 O4 -","- C320 H240 Cu8 Ir8 N16 O16 -","4","0.5","","Fernández-Cestau, Julio; Giménez, Nora; Lalinde, Elena; Montaño, Patricia; Moreno, M. Teresa; Sánchez, Sergio; Weber, Michael D.; Costa, Rubén D","Alkynyl bridged cyclometalated Ir2M2 clusters: impact of the heterometal in the photo- and electro-luminescence properties.","Dalton transactions (Cambridge, England : 2003)","2016","45","8","3251","3255","10.1039/c5dt04027b","","x-ray","0.71073","MoKα","","0.0552","0.0389","","","0.0784","0.0839","","","","","","1.041","","","","has coordinates,has disorder","177828","2020-10-21","18:00:00",""
"7038063","22.461","0.003","4.8135","0.0006","21.823","0.003","90","","115.883","0.003","90","","2122.7","0.5","159","2","159","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C20 H18 N4 O6 Se2 -","- C20 H18 N4 O6 Se2 -","- C80 H72 N16 O24 Se8 -","4","0.5","","Patel, Saket; Meenakshi, ?; Hodage, Ananda S.; Verma, Ajay; Agrawal, Shailendra; Yadav, Abhimanyu; Kumar, Sangit","Synthesis and structural characterization of monomeric mercury(ii) selenolate complexes derived from 2-phenylbenzamide ligands.","Dalton transactions (Cambridge, England : 2003)","2016","45","9","4030","4040","10.1039/c5dt04356e","","x-ray","0.71073","MoKα","","0.0603","0.0398","","","0.0844","0.0927","","","","","","1.02","","","","has coordinates","177858","2020-10-21","18:00:00",""
"7038064","8.9938","0.0005","10.4786","0.0006","13.1186","0.0007","100.352","0.003","98.708","0.003","99.288","0.003","1179.35","0.12","296","2","296.15","","","","","","","","","6","P -1","-P 1","2","","","","- C20 H22 Hg N4 O6 Se2 -","- C20 H22 Hg N4 O6 Se2 -","- C40 H44 Hg2 N8 O12 Se4 -","2","1","","Patel, Saket; Meenakshi, ?; Hodage, Ananda S.; Verma, Ajay; Agrawal, Shailendra; Yadav, Abhimanyu; Kumar, Sangit","Synthesis and structural characterization of monomeric mercury(ii) selenolate complexes derived from 2-phenylbenzamide ligands.","Dalton transactions (Cambridge, England : 2003)","2016","45","9","4030","4040","10.1039/c5dt04356e","","","0.71073","MoKα","","0.0751","0.0384","","","0.0722","0.0857","","","","","","1.021","","","","has coordinates,has disorder","177858","2020-10-21","18:00:00",""
"7038065","6.4927","0.0002","11.3302","0.0005","13.9409","0.0006","92.694","0.002","101.312","0.002","97.023","0.002","995.42","0.07","300","2","300","2","","","","","","","","6","P -1","-P 1","2","","","","- C18 H20 Hg N2 O2 Se2 -","- C18 H20 Hg N2 O2 Se2 -","- C36 H40 Hg2 N4 O4 Se4 -","2","1","","Patel, Saket; Meenakshi, ?; Hodage, Ananda S.; Verma, Ajay; Agrawal, Shailendra; Yadav, Abhimanyu; Kumar, Sangit","Synthesis and structural characterization of monomeric mercury(ii) selenolate complexes derived from 2-phenylbenzamide ligands.","Dalton transactions (Cambridge, England : 2003)","2016","45","9","4030","4040","10.1039/c5dt04356e","","x-ray","0.71073","MoKα","","0.0265","0.0223","","","0.0513","0.0528","","","","","","1.038","","","","has coordinates","182221","2020-10-21","18:00:00",""
"7038066","7.5402","0.0006","13.463","0.0008","14.1093","0.0012","90","","99.456","0.003","90","","1412.83","0.19","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C26 H36 Hg N2 O2 Se2 -","- C26 H36 Hg N2 O2 Se2 -","- C52 H72 Hg2 N4 O4 Se4 -","2","0.5","","Patel, Saket; Meenakshi, ?; Hodage, Ananda S.; Verma, Ajay; Agrawal, Shailendra; Yadav, Abhimanyu; Kumar, Sangit","Synthesis and structural characterization of monomeric mercury(ii) selenolate complexes derived from 2-phenylbenzamide ligands.","Dalton transactions (Cambridge, England : 2003)","2016","45","9","4030","4040","10.1039/c5dt04356e","","x-ray","0.71073","MoKα","","0.0461","0.0267","","","0.0472","0.0521","","","","","","1.017","","","","has coordinates","177858","2020-10-21","18:00:00",""
"7038067","19.2091","0.0007","9.3046","0.0003","30.9426","0.0011","90","","90","","90","","5530.5","0.3","298","2","298","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C26 H36 N2 O2 Se2 -","- C26 H36 N2 O2 Se2 -","- C208 H288 N16 O16 Se16 -","8","1","","Patel, Saket; Meenakshi, ?; Hodage, Ananda S.; Verma, Ajay; Agrawal, Shailendra; Yadav, Abhimanyu; Kumar, Sangit","Synthesis and structural characterization of monomeric mercury(ii) selenolate complexes derived from 2-phenylbenzamide ligands.","Dalton transactions (Cambridge, England : 2003)","2016","45","9","4030","4040","10.1039/c5dt04356e","","x-ray","0.71073","MoKα","","0.0856","0.0452","","","0.0909","0.1053","","","","","","1.041","","","","has coordinates","182221","2020-10-21","18:00:00",""
"7038068","14.2781","0.0007","12.1561","0.0006","11.4422","0.0005","90","","113.62","","90","","1819.6","0.15","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H20 N2 O2 Se2 -","- C18 H20 N2 O2 Se2 -","- C72 H80 N8 O8 Se8 -","4","1","","Patel, Saket; Meenakshi, ?; Hodage, Ananda S.; Verma, Ajay; Agrawal, Shailendra; Yadav, Abhimanyu; Kumar, Sangit","Synthesis and structural characterization of monomeric mercury(ii) selenolate complexes derived from 2-phenylbenzamide ligands.","Dalton transactions (Cambridge, England : 2003)","2016","45","9","4030","4040","10.1039/c5dt04356e","","","0.71073","MoKα","","0.0771","0.0363","","","0.0803","0.0919","","","","","","1.012","","","","has coordinates","177858","2020-10-21","18:00:00",""
"7038069","3.6215","0.0003","3.6215","0.0003","5.65","0.003","90","","90","","120","","64.17","0.03","296","2","296.15","","","","","","","","","2","P -3 m 1","-P 3 2""","164","Tindisulfide","","","- S2 Sn -","- S2 Sn -","- S2 Sn -","1","0.0833333","","Filsø, M Ø; Eikeland, E.; Zhang, J.; Madsen, S. R.; Iversen, B. B.","Atomic and electronic structure transformations in SnS2 at high pressures: a joint single crystal X-ray diffraction and DFT study.","Dalton transactions (Cambridge, England : 2003)","2016","45","9","3798","3805","10.1039/c5dt04532k","","","0.56086","AgKα","","0.0201","0.0201","","","0.0456","0.0456","","","","","","1.235","","","","has coordinates","177861","2020-10-21","18:00:00",""
"7038070","3.6067","0.0003","3.6067","0.0003","5.544","0.002","90","","90","","120","","62.46","0.02","296","2","296.15","","","","","","","","","2","P -3 m 1","-P 3 2""","164","Tindisulfide","","","- S2 Sn -","- S2 Sn -","- S2 Sn -","1","0.0833333","","Filsø, M Ø; Eikeland, E.; Zhang, J.; Madsen, S. R.; Iversen, B. B.","Atomic and electronic structure transformations in SnS2 at high pressures: a joint single crystal X-ray diffraction and DFT study.","Dalton transactions (Cambridge, England : 2003)","2016","45","9","3798","3805","10.1039/c5dt04532k","","","0.56086","AgKα","","0.0198","0.0198","","","0.0407","0.0407","","","","","","1.223","","","","has coordinates","177861","2020-10-21","18:00:00",""
"7038071","3.5074","0.0007","3.5074","0.0007","4.978","0.004","90","","90","","120","","53.03","0.05","296","2","296.15","","","","","","","","","2","P -3 m 1","-P 3 2""","164","","","","- S2 Sn -","- S2 Sn -","- S2 Sn -","1","0.0833333","","Filsø, M Ø; Eikeland, E.; Zhang, J.; Madsen, S. R.; Iversen, B. B.","Atomic and electronic structure transformations in SnS2 at high pressures: a joint single crystal X-ray diffraction and DFT study.","Dalton transactions (Cambridge, England : 2003)","2016","45","9","3798","3805","10.1039/c5dt04532k","","","0.56086","AgKα","","0.0201","0.0201","","","0.0468","0.0468","","","","","","1.313","","","","has coordinates","177861","2020-10-21","18:00:00",""
"7038072","3.5455","0.0003","3.5455","0.0003","5.257","0.003","90","","90","","120","","57.23","0.03","296","2","296.15","","","","","","","","","2","P -3 m 1","-P 3 2""","164","Tindisulfide","","","- S2 Sn -","- S2 Sn -","- S2 Sn -","1","0.0833333","","Filsø, M Ø; Eikeland, E.; Zhang, J.; Madsen, S. R.; Iversen, B. B.","Atomic and electronic structure transformations in SnS2 at high pressures: a joint single crystal X-ray diffraction and DFT study.","Dalton transactions (Cambridge, England : 2003)","2016","45","9","3798","3805","10.1039/c5dt04532k","","","0.56086","AgKα","","0.018","0.018","","","0.0503","0.0503","","","","","","1.549","","","","has coordinates","177861","2020-10-21","18:00:00",""
"7038073","3.639","0.0003","3.639","0.0003","5.7853","0.0019","90","","90","","120","","66.35","0.02","296","2","296.15","","","","","","","","","2","P -3 m 1","-P 3 2""","164","Tindisulfide","","","- S2 Sn -","- S2 Sn -","- S2 Sn -","1","0.0833333","","Filsø, M Ø; Eikeland, E.; Zhang, J.; Madsen, S. R.; Iversen, B. B.","Atomic and electronic structure transformations in SnS2 at high pressures: a joint single crystal X-ray diffraction and DFT study.","Dalton transactions (Cambridge, England : 2003)","2016","45","9","3798","3805","10.1039/c5dt04532k","","","0.56086","AgKα","","0.021","0.021","","","0.0502","0.0502","","","","","","1.257","","","","has coordinates","177861","2020-10-21","18:00:00",""
"7038074","3.5766","0.0004","3.5766","0.0004","5.393","0.003","90","","90","","120","","59.75","0.03","296","2","296.15","","","","","","","","","2","P -3 m 1","-P 3 2""","164","Tindisulfide","","","- S2 Sn -","- S2 Sn -","- S2 Sn -","1","0.0833333","","Filsø, M Ø; Eikeland, E.; Zhang, J.; Madsen, S. R.; Iversen, B. B.","Atomic and electronic structure transformations in SnS2 at high pressures: a joint single crystal X-ray diffraction and DFT study.","Dalton transactions (Cambridge, England : 2003)","2016","45","9","3798","3805","10.1039/c5dt04532k","","","0.56086","AgKα","","0.0165","0.0165","","","0.0344","0.0344","","","","","","1.174","","","","has coordinates","177861","2020-10-21","18:00:00",""
"7038075","3.5343","0.0004","3.5343","0.0004","5.068","0.003","90","","90","","120","","54.82","0.03","296","2","296.15","","","","","","","","","2","P -3 m 1","-P 3 2""","164","Tindisulfide","","","- S2 Sn -","- S2 Sn -","- S2 Sn -","1","0.0833333","","Filsø, M Ø; Eikeland, E.; Zhang, J.; Madsen, S. R.; Iversen, B. B.","Atomic and electronic structure transformations in SnS2 at high pressures: a joint single crystal X-ray diffraction and DFT study.","Dalton transactions (Cambridge, England : 2003)","2016","45","9","3798","3805","10.1039/c5dt04532k","","","0.56086","AgKα","","0.0138","0.0138","","","0.0309","0.0309","","","","","","1.422","","","","has coordinates","177861","2020-10-21","18:00:00",""
"7038076","3.5362","0.0004","3.5362","0.0004","5.1","0.003","90","","90","","120","","55.23","0.03","296","2","296.15","","","","","","","","","2","P -3 m 1","-P 3 2""","164","Tindisulfide","","","- S2 Sn -","- S2 Sn -","- S2 Sn -","1","0.0833333","","Filsø, M Ø; Eikeland, E.; Zhang, J.; Madsen, S. R.; Iversen, B. B.","Atomic and electronic structure transformations in SnS2 at high pressures: a joint single crystal X-ray diffraction and DFT study.","Dalton transactions (Cambridge, England : 2003)","2016","45","9","3798","3805","10.1039/c5dt04532k","","","0.56086","AgKα","","0.0158","0.0158","","","0.0389","0.0389","","","","","","1.318","","","","has coordinates","177861","2020-10-21","18:00:00",""
"7038077","3.5272","0.0004","3.5272","0.0004","5.026","0.003","90","","90","","120","","54.15","0.03","296","2","296.15","","","","","","","","","2","P -3 m 1","-P 3 2""","164","Tindisulfide","","","- S2 Sn -","- S2 Sn -","- S2 Sn -","1","0.0833333","","Filsø, M Ø; Eikeland, E.; Zhang, J.; Madsen, S. R.; Iversen, B. B.","Atomic and electronic structure transformations in SnS2 at high pressures: a joint single crystal X-ray diffraction and DFT study.","Dalton transactions (Cambridge, England : 2003)","2016","45","9","3798","3805","10.1039/c5dt04532k","","","0.56086","AgKα","","0.0209","0.0209","","","0.0459","0.0459","","","","","","1.398","","","","has coordinates","177861","2020-10-21","18:00:00",""
"7038078","3.5388","0.0003","3.5388","0.0003","5.175","0.002","90","","90","","120","","56.12","0.02","298","","296.15","","","","","","","","","2","P -3 m 1","-P 3 2""","164","Tindisulfide","Tin disulfide","","- S2 Sn -","- S2 Sn -","- S2 Sn -","1","0.0833333","","Filsø, M Ø; Eikeland, E.; Zhang, J.; Madsen, S. R.; Iversen, B. B.","Atomic and electronic structure transformations in SnS2 at high pressures: a joint single crystal X-ray diffraction and DFT study.","Dalton transactions (Cambridge, England : 2003)","2016","45","9","3798","3805","10.1039/c5dt04532k","","","0.56086","AgKα","","0.0171","0.0171","","","0.0416","0.0416","","","","","","1.264","","","","has coordinates","177861","2020-10-21","18:00:00",""
"7038079","3.6456","0.0004","3.6456","0.0004","5.8934","0.0011","90","","90","","120","","67.832","0.016","294.05","0.1","294.05","0.1","","","","","","","","2","P -3 m 1","-P 3 2""","164","Tindisulfide","","","- S2 Sn -","- S2 Sn -","- S2 Sn -","1","0.0833333","","Filsø, M Ø; Eikeland, E.; Zhang, J.; Madsen, S. R.; Iversen, B. B.","Atomic and electronic structure transformations in SnS2 at high pressures: a joint single crystal X-ray diffraction and DFT study.","Dalton transactions (Cambridge, England : 2003)","2016","45","9","3798","3805","10.1039/c5dt04532k","","x-ray","0.71073","MoKα","","0.0236","0.0236","","","0.0513","0.0513","","","","","","1.142","","","","has coordinates","177861","2020-10-21","18:00:00",""
"7038080","3.6339","0.0002","3.6339","0.0002","5.7322","0.0017","90","","90","","120","","65.55","0.02","296","2","296.15","","","","","","","","","2","P -3 m 1","-P 3 2""","164","Tindisulfide","","","- S2 Sn -","- S2 Sn -","- S2 Sn -","1","0.0833333","","Filsø, M Ø; Eikeland, E.; Zhang, J.; Madsen, S. R.; Iversen, B. B.","Atomic and electronic structure transformations in SnS2 at high pressures: a joint single crystal X-ray diffraction and DFT study.","Dalton transactions (Cambridge, England : 2003)","2016","45","9","3798","3805","10.1039/c5dt04532k","","","0.56086","AgKα","","0.0218","0.0218","","","0.0509","0.0509","","","","","","1.149","","","","has coordinates","177861","2020-10-21","18:00:00",""
"7038081","3.5983","0.0004","3.5983","0.0004","5.494","0.003","90","","90","","120","","61.6","0.04","296","2","296.15","","","","","","","","","2","P -3 m 1","-P 3 2""","164","Tindisulfide","","","- S2 Sn -","- S2 Sn -","- S2 Sn -","1","0.0833333","","Filsø, M Ø; Eikeland, E.; Zhang, J.; Madsen, S. R.; Iversen, B. B.","Atomic and electronic structure transformations in SnS2 at high pressures: a joint single crystal X-ray diffraction and DFT study.","Dalton transactions (Cambridge, England : 2003)","2016","45","9","3798","3805","10.1039/c5dt04532k","","","0.56086","AgKα","","0.0159","0.0159","","","0.0304","0.0304","","","","","","1.383","","","","has coordinates","177861","2020-10-21","18:00:00",""
"7038082","3.5605","0.0004","3.5605","0.0004","5.317","0.003","90","","90","","120","","58.37","0.03","296","2","296.15","","","","","","","","","2","P -3 m 1","-P 3 2""","164","Tindisulfide","","","- S2 Sn -","- S2 Sn -","- S2 Sn -","1","0.0833333","","Filsø, M Ø; Eikeland, E.; Zhang, J.; Madsen, S. R.; Iversen, B. B.","Atomic and electronic structure transformations in SnS2 at high pressures: a joint single crystal X-ray diffraction and DFT study.","Dalton transactions (Cambridge, England : 2003)","2016","45","9","3798","3805","10.1039/c5dt04532k","","","0.56086","AgKα","","0.0186","0.0186","","","0.0453","0.0453","","","","","","1.394","","","","has coordinates","177861","2020-10-21","18:00:00",""
"7038083","8.576","0.0002","9.7596","0.0002","16.4484","0.0012","90","","92.133","0.007","90","","1375.75","0.11","143","2","143","2","","","","","","","","7","P 1 n 1","P -2yac","7","","","","- C31 H24 N2 O3 P Re S -","- C31 H24 N2 O3 P Re S -","- C62 H48 N4 O6 P2 Re2 S2 -","2","1","","Perl, David; Bisset, Sean W.; Telfer, Shane G.","Postcomplexation synthetic routes to dipyrrin complexes.","Dalton transactions (Cambridge, England : 2003)","2016","45","6","2440","2443","10.1039/c5dt04466a","","","1.54178","CuKα","","0.0329","0.0289","","","0.0656","0.0926","","","","","","1.194","","","","has coordinates","177803","2020-10-21","18:00:00",""
"7038084","10.932","0.0002","17.1113","0.0003","24.1889","0.0017","90","","91.534","0.006","90","","4523.2","0.3","133","2","133","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C51 H36 N2 O6 P2 Re2 S -","- C51 H36 N2 O6 P2 Re2 S -","- C204 H144 N8 O24 P8 Re8 S4 -","4","1","","Perl, David; Bisset, Sean W.; Telfer, Shane G.","Postcomplexation synthetic routes to dipyrrin complexes.","Dalton transactions (Cambridge, England : 2003)","2016","45","6","2440","2443","10.1039/c5dt04466a","","","1.54178","CuKα","","0.0554","0.0509","","","0.111","0.1186","","","","","","1.005","","","","has coordinates","205752","2020-10-21","18:00:00",""
"7038085","11.6593","0.0002","14.0709","0.0003","18.5868","0.0013","110.002","0.008","99.723","0.007","102.301","0.007","2700.8","0.3","123","","123","","","","","","","","","7","P -1","-P 1","2","","","","- C30 H21 N2 O3 P Re S -","- C30 H21 N2 O3 P Re S -","- C120 H84 N8 O12 P4 Re4 S4 -","4","2","","Perl, David; Bisset, Sean W.; Telfer, Shane G.","Postcomplexation synthetic routes to dipyrrin complexes.","Dalton transactions (Cambridge, England : 2003)","2016","45","6","2440","2443","10.1039/c5dt04466a","","","1.54178","CuKα","","0.0828","0.0686","","","0.1757","0.2189","","","","","","1.134","","","","has coordinates","177803","2020-10-21","18:00:00",""
"7038086","9.398","0.0002","11.0637","0.0004","12.8148","0.0009","85.658","0.006","87.797","0.006","75.893","0.005","1288.27","0.11","153","2","153","2","","","","","","","","6","P -1","-P 1","2","","","","- C30 H22 N2 O4 P Re -","- C30 H22 N2 O4 P Re -","- C60 H44 N4 O8 P2 Re2 -","2","1","","Perl, David; Bisset, Sean W.; Telfer, Shane G.","Postcomplexation synthetic routes to dipyrrin complexes.","Dalton transactions (Cambridge, England : 2003)","2016","45","6","2440","2443","10.1039/c5dt04466a","","","1.54178","CuKα","","0.0491","0.0445","","","0.1047","0.118","","","","","","1.004","","","","has coordinates","177803","2020-10-21","18:00:00",""
"7038087","16.2808","0.0003","14.7769","0.0003","16.6692","0.0012","90","","110.575","0.008","90","","3754.5","0.3","293","","293","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C18 H14 N3 O3 Re S -","- C18 H14 N3 O3 Re S -","- C144 H112 N24 O24 Re8 S8 -","8","2","","Perl, David; Bisset, Sean W.; Telfer, Shane G.","Postcomplexation synthetic routes to dipyrrin complexes.","Dalton transactions (Cambridge, England : 2003)","2016","45","6","2440","2443","10.1039/c5dt04466a","","","1.54178","CuKα","","0.0343","0.0299","","","0.0736","0.0793","","","","","","1.0271","","","","has coordinates,has disorder","177803","2020-10-21","18:00:00",""
"7038088","9.168","0.005","15.214","0.005","15.358","0.005","92.481","0.005","105.021","0.005","104.66","0.005","1988","1.4","293","","293","","","","","","","","","5","P -1","-P 1","2","","","","- C20 H19 N4 O3 Re -","- C20 H18 N4 O3 Re -","- C80 H72 N16 O12 Re4 -","4","2","","Perl, David; Bisset, Sean W.; Telfer, Shane G.","Postcomplexation synthetic routes to dipyrrin complexes.","Dalton transactions (Cambridge, England : 2003)","2016","45","6","2440","2443","10.1039/c5dt04466a","","","1.54187","CuKα","","0.0564","0.0473","","","0.1141","0.1374","","","","","","1.126","","","","has coordinates,has disorder","177803","2020-10-21","18:00:00",""
"7038089","20.3353","0.0004","13.2369","0.0002","17.3925","0.0012","90","","106.577","0.007","90","","4487.1","0.4","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C24 H19 N4 O3 Re -","- C24 H19 N4 O3 Re -","- C192 H152 N32 O24 Re8 -","8","1","","Perl, David; Bisset, Sean W.; Telfer, Shane G.","Postcomplexation synthetic routes to dipyrrin complexes.","Dalton transactions (Cambridge, England : 2003)","2016","45","6","2440","2443","10.1039/c5dt04466a","","","1.54178","CuKα","","0.0301","0.024","","","0.0454","0.0577","","","","","","1.238","","","","has coordinates","177803","2020-10-21","18:00:00",""
"7038090","14.06","0.002","14.919","0.002","14.956","0.002","71.212","0.005","86.959","0.006","86.737","0.006","2963.2","0.7","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C27 H31 N4 O7 Re -","- C27 H31 N4 O7 Re -","- C108 H124 N16 O28 Re4 -","4","2","","Perl, David; Bisset, Sean W.; Telfer, Shane G.","Postcomplexation synthetic routes to dipyrrin complexes.","Dalton transactions (Cambridge, England : 2003)","2016","45","6","2440","2443","10.1039/c5dt04466a","","","1.54187","CuKα","","0.2322","0.1273","","","0.3068","0.4031","","","","","","1.121","","","","has coordinates","177803","2020-10-21","18:00:00",""
"7038091","55.66","0.019","7.717","0.003","36.097","0.013","90","","90.196","0.018","90","","15505","10","110","","110","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C48 H60 Cl4 Cu4 Fe4 P4 -","- C48 H60 Cl4 Cu4 Fe4 P4 -","- C576 H720 Cl48 Cu48 Fe48 P48 -","12","1.5","","Azizpoor Fard, M.; Rabiee Kenaree, A.; Boyle, P. D.; Ragogna, P. J.; Gilroy, J. B.; Corrigan, J. F.","Coinage metal coordination chemistry of stable primary, secondary and tertiary ferrocenylethyl-based phosphines.","Dalton transactions (Cambridge, England : 2003)","2016","45","7","2868","2880","10.1039/c5dt03962b","","","0.71073","MoKα","","0.0705","0.0424","","","0.112","0.1496","","","","","","1.129","","","","has coordinates","177774","2020-10-21","18:00:00",""
"7038092","13.34","0.009","16.897","0.008","17.289","0.01","66.77","0.014","80.739","0.019","82.12","0.02","3523","4","110","","110","","","","","","","","","6","P -1","-P 1","2","","","","- C160 H184 Cu4 Fe12 O10 P4 -","- C160 H184 Cu4 Fe12 O10 P4 -","- C160 H184 Cu4 Fe12 O10 P4 -","1","0.5","","Azizpoor Fard, M.; Rabiee Kenaree, A.; Boyle, P. D.; Ragogna, P. J.; Gilroy, J. B.; Corrigan, J. F.","Coinage metal coordination chemistry of stable primary, secondary and tertiary ferrocenylethyl-based phosphines.","Dalton transactions (Cambridge, England : 2003)","2016","45","7","2868","2880","10.1039/c5dt03962b","","","0.71073","MoKα","","0.0646","0.0386","","","0.0991","0.1377","","","","","","1.047","","","","has coordinates,has disorder","177774","2020-10-21","18:00:00",""
"7038093","21.644","0.015","7.795","0.005","14.445","0.01","90","","96.234","0.011","90","","2423","3","110","","110","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C48 H60 Ag2 Cl2 Fe4 P4 -","- C48 H60 Ag2 Cl2 Fe4 P4 -","- C96 H120 Ag4 Cl4 Fe8 P8 -","2","0.5","","Azizpoor Fard, M.; Rabiee Kenaree, A.; Boyle, P. D.; Ragogna, P. J.; Gilroy, J. B.; Corrigan, J. F.","Coinage metal coordination chemistry of stable primary, secondary and tertiary ferrocenylethyl-based phosphines.","Dalton transactions (Cambridge, England : 2003)","2016","45","7","2868","2880","10.1039/c5dt03962b","","","0.71073","MoKα","","0.0931","0.0438","","","0.0713","0.0912","","","","","","1.029","","","","has coordinates","177774","2020-10-21","18:00:00",""
"7038094","11.016","0.002","12.823","0.002","15.892","0.003","85.18","0.01","81.788","0.016","89.914","0.01","2213.9","0.7","110","","110","","","","","","","","","6","P -1","-P 1","2","","","","- C24 H27 Au Cl Fe2 P -","- C24 H27 Au Cl Fe2 P -","- C96 H108 Au4 Cl4 Fe8 P4 -","4","2","","Azizpoor Fard, M.; Rabiee Kenaree, A.; Boyle, P. D.; Ragogna, P. J.; Gilroy, J. B.; Corrigan, J. F.","Coinage metal coordination chemistry of stable primary, secondary and tertiary ferrocenylethyl-based phosphines.","Dalton transactions (Cambridge, England : 2003)","2016","45","7","2868","2880","10.1039/c5dt03962b","","","0.71073","MoKα","","0.0996","0.0542","","","0.1323","0.1685","","","","","","1.041","","","","has coordinates","177774","2020-10-21","18:00:00",""
"7038095","19.202","0.009","25.786","0.01","29.561","0.016","68.256","0.009","72.394","0.013","89.502","0.008","12870","11","110","2","110","","","","","","","","","6","P -1","-P 1","2","","","","- C144 H156 Cl4 Cu4 Fe12 P4 -","- C144 H156 Cl4 Cu4 Fe12 P4 -","- C576 H624 Cl16 Cu16 Fe48 P16 -","4","2","","Azizpoor Fard, M.; Rabiee Kenaree, A.; Boyle, P. D.; Ragogna, P. J.; Gilroy, J. B.; Corrigan, J. F.","Coinage metal coordination chemistry of stable primary, secondary and tertiary ferrocenylethyl-based phosphines.","Dalton transactions (Cambridge, England : 2003)","2016","45","7","2868","2880","10.1039/c5dt03962b","","","0.71073","MoKα","","0.0534","0.0355","","","0.1028","0.1285","","","","","","1.088","","","","has coordinates,has disorder","177774","2020-10-21","18:00:00",""
"7038096","15.675","0.004","16.981","0.003","17.021","0.003","118.147","0.009","91.603","0.007","115.305","0.008","3458.4","1.3","110","","110","","","","","","","","","7","P -1","-P 1","2","","","","- C38 H43 Au Cl Fe3 O0.5 P -","- C38 H43 Au Cl Fe3 O0.5 P -","- C152 H172 Au4 Cl4 Fe12 O2 P4 -","4","2","","Azizpoor Fard, M.; Rabiee Kenaree, A.; Boyle, P. D.; Ragogna, P. J.; Gilroy, J. B.; Corrigan, J. F.","Coinage metal coordination chemistry of stable primary, secondary and tertiary ferrocenylethyl-based phosphines.","Dalton transactions (Cambridge, England : 2003)","2016","45","7","2868","2880","10.1039/c5dt03962b","","","0.71073","MoKα","","0.0503","0.0454","","","0.117","0.1244","","","","","","1.157","","","","has coordinates","177774","2020-10-21","18:00:00",""
"7038097","16.755","0.003","16.972","0.003","26.793","0.006","88.85","0.01","83.595","0.006","65.477","0.007","6886","2","110","","110","","","","","","","","","6","P -1","-P 1","2","","","","- C147 H162 Ag4 Cl10 Fe12 P4 -","- C147 H162 Ag4 Cl10 Fe12 P4 -","- C294 H324 Ag8 Cl20 Fe24 P8 -","2","1","","Azizpoor Fard, M.; Rabiee Kenaree, A.; Boyle, P. D.; Ragogna, P. J.; Gilroy, J. B.; Corrigan, J. F.","Coinage metal coordination chemistry of stable primary, secondary and tertiary ferrocenylethyl-based phosphines.","Dalton transactions (Cambridge, England : 2003)","2016","45","7","2868","2880","10.1039/c5dt03962b","","","0.71073","MoKα","","0.0394","0.0296","","","0.0848","0.0988","","","","","","1.145","","","","has coordinates,has disorder","177774","2020-10-21","18:00:00",""
"7038098","13.356","0.016","16.784","0.018","17.332","0.011","69.038","0.009","83.27","0.03","78.13","0.04","3547","6","110","","110","","","","","","","","","6","P -1","-P 1","2","","","","- C160 H184 Ag4 Fe12 O10 P4 -","- C160 H184 Ag4 Fe12 O10 P4 -","- C160 H184 Ag4 Fe12 O10 P4 -","1","0.5","","Azizpoor Fard, M.; Rabiee Kenaree, A.; Boyle, P. D.; Ragogna, P. J.; Gilroy, J. B.; Corrigan, J. F.","Coinage metal coordination chemistry of stable primary, secondary and tertiary ferrocenylethyl-based phosphines.","Dalton transactions (Cambridge, England : 2003)","2016","45","7","2868","2880","10.1039/c5dt03962b","","","0.71073","MoKα","","0.0361","0.0292","","","0.0979","0.1185","","","","","","1.009","","","","has coordinates,has disorder","177774","2020-10-21","18:00:00",""
"7038099","6.5175","0.0005","12.6141","0.001","6.7628","0.0005","90","","90","","90","","555.99","0.07","300","2","300","2","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- Mo3 Sc2 Si4 -","- Mo3 Sc2 Si4 -","- Mo12 Sc8 Si16 -","4","0.5","","Nielsen, Morten B.; Xie, Weiwei; Cava, Robert J.","Ternary rare earth silicides RE2M3Si4 (RE = Sc, Y, Lu; M = Mo, W): crystal structure, coloring and electronic properties.","Dalton transactions (Cambridge, England : 2003)","2016","45","9","3771","3777","10.1039/c5dt03976b","","","0.71073","MoKα","","0.0217","0.0204","","","0.0572","0.0581","","","","","","1.172","","","","has coordinates","177864","2020-10-21","18:00:00",""
"7038100","6.5357","0.0004","12.6408","0.0008","6.7743","0.0004","90","","90","","90","","559.67","0.06","300","2","300","2","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- Sc2.07 Si4 W2.93 -","- Sc2.0658 Si4 W2.9342 -","- Sc8.2632 Si16 W11.7368 -","4","0.5","","Nielsen, Morten B.; Xie, Weiwei; Cava, Robert J.","Ternary rare earth silicides RE2M3Si4 (RE = Sc, Y, Lu; M = Mo, W): crystal structure, coloring and electronic properties.","Dalton transactions (Cambridge, England : 2003)","2016","45","9","3771","3777","10.1039/c5dt03976b","","","0.71073","MoKα","","0.0232","0.0187","","","0.0371","0.038","","","","","","1.138","","","","has coordinates","177864","2020-10-21","18:00:00",""
"7038101","6.6451","0.0003","12.7818","0.0006","6.8725","0.0003","90","","90","","90","","583.72","0.05","300","2","300","2","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- Lu2 Mo3 Si4 -","- Lu2 Mo3 Si4 -","- Lu8 Mo12 Si16 -","4","0.5","","Nielsen, Morten B.; Xie, Weiwei; Cava, Robert J.","Ternary rare earth silicides RE2M3Si4 (RE = Sc, Y, Lu; M = Mo, W): crystal structure, coloring and electronic properties.","Dalton transactions (Cambridge, England : 2003)","2016","45","9","3771","3777","10.1039/c5dt03976b","","","0.71073","MoKα","","0.03","0.0196","","","0.0411","0.0428","","","","","","0.999","","","","has coordinates","177864","2020-10-21","18:00:00",""
"7038102","8.3215","0.001","17.7887","0.0019","22.489","0.003","90","","96.735","0.005","90","","3306","0.7","150","","150.04","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C35 H51.5 P2 Ru S2 -","- C35 H51.5 P2 Ru S2 -","- C140 H206 P8 Ru4 S8 -","4","1","","McKinty, Adam; Stephan, Douglas W.","Ru Alkylidene Compounds Bearing Tridentate, Dianionic Ligands: Lewis Acid Activation and Olefin Metathesis","Dalton Trans.","2016","","","","","10.1039/C5DT04481B","","","0.71073","MoKα","","0.0529","0.0354","","","0.0808","0.0885","","","","","","1.0292","","","","has coordinates,has disorder","206162","2020-10-21","18:00:00",""
"7038103","9.6299","0.0006","14.408","0.001","21.2995","0.0014","90","","95.679","0.004","90","","2940.7","0.3","149","","149.69","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C32 H40 N2 O3 Ru -","- C32 H40 N2 O3 Ru -","- C128 H160 N8 O12 Ru4 -","4","1","","McKinty, Adam; Stephan, Douglas W.","Ru Alkylidene Compounds Bearing Tridentate, Dianionic Ligands: Lewis Acid Activation and Olefin Metathesis","Dalton Trans.","2016","","","","","10.1039/C5DT04481B","","","0.71073","MoKα","","0.0501","0.038","","","0.0796","0.0869","","","","","","1.0395","","","","has coordinates","206162","2020-10-21","18:00:00",""
"7038104","17.7135","0.0006","10.08","0.0003","19.4358","0.0007","90","","109.048","0.002","90","","3280.29","0.19","149","","150","","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C29 H47 B Cl3 O P Ru S2 -","- C29 H47 B Cl3 O P Ru S2 -","- C116 H188 B4 Cl12 O4 P4 Ru4 S8 -","4","1","","McKinty, Adam; Stephan, Douglas W.","Ru Alkylidene Compounds Bearing Tridentate, Dianionic Ligands: Lewis Acid Activation and Olefin Metathesis","Dalton Trans.","2016","","","","","10.1039/C5DT04481B","","","0.71073","MoKα","","0.0489","0.031","","","0.065","0.0725","","","","","","1.017","","","","has coordinates","206162","2020-10-21","18:00:00",""
"7038105","34.498","0.003","10.7156","0.001","23.057","0.002","90","","124.733","0.004","90","","7004.7","1.1","149","","150","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C32.5 H40 B Cl4 N2 Ru S3 -","- C32.5 H40 B Cl4 N2 Ru S3 -","- C260 H320 B8 Cl32 N16 Ru8 S24 -","8","1","","McKinty, Adam; Stephan, Douglas W.","Ru Alkylidene Compounds Bearing Tridentate, Dianionic Ligands: Lewis Acid Activation and Olefin Metathesis","Dalton Trans.","2016","","","","","10.1039/C5DT04481B","","","0.71073","MoKα","","0.0528","0.0345","","","0.0764","0.0846","","","","","","1.0236","","","","has coordinates","174829","2020-10-21","18:00:00",""
"7038106","10.5984","0.0005","13.8097","0.0007","27.2535","0.0015","90","","100.467","0.003","90","","3922.5","0.3","149","","150","","","","","","","","","9","P 1 21/n 1","-P 2yn","14","","","","- C31 H50 B2 Cl6 N O P Ru S2 -","- C31 H50 B2 Cl6 N O P Ru S2 -","- C124 H200 B8 Cl24 N4 O4 P4 Ru4 S8 -","4","1","","McKinty, Adam; Stephan, Douglas W.","Ru Alkylidene Compounds Bearing Tridentate, Dianionic Ligands: Lewis Acid Activation and Olefin Metathesis","Dalton Trans.","2016","","","","","10.1039/C5DT04481B","","","0.71073","MoKα","","0.0893","0.0453","","","0.0866","0.1029","","","","","","1.0116","","","","has coordinates","206162","2020-10-21","18:00:00",""
"7038107","12.0081","0.0002","13.2257","0.0002","15.1254","0.0002","90","","94.072","0.001","90","","2396.08","0.06","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C22 H32 Cl2 Co N5 -","- C22 H32 Cl2 Co N5 -","- C88 H128 Cl8 Co4 N20 -","4","1","","Reilly, Sean W.; Webster, Charles Edwin; Hollis, T. Keith; Valle, Henry U.","Transmetallation from CCC-NHC pincer Zr complexes in the synthesis of air-stable CCC-NHC pincer Co(iii) complexes and initial hydroboration trials.","Dalton transactions (Cambridge, England : 2003)","2016","45","7","2823","2828","10.1039/c5dt04752h","","","0.71073","MoKα","","0.0811","0.067","","","0.2089","0.2205","","","","","","1.076","","","","has coordinates","177786","2020-10-21","18:00:00",""
"7038108","8.4464","0.0003","10.4389","0.0004","18.6009","0.0007","94.144","0.002","99.879","0.002","110.932","0.002","1493.13","0.1","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C26 H33 Cl3 Co I N4 O2 -","- C26 H33 Cl3 Co I N4 O2 -","- C52 H66 Cl6 Co2 I2 N8 O4 -","2","1","","Reilly, Sean W.; Webster, Charles Edwin; Hollis, T. Keith; Valle, Henry U.","Transmetallation from CCC-NHC pincer Zr complexes in the synthesis of air-stable CCC-NHC pincer Co(iii) complexes and initial hydroboration trials.","Dalton transactions (Cambridge, England : 2003)","2016","45","7","2823","2828","10.1039/c5dt04752h","","","0.71073","MoKα","","0.0474","0.0393","","","0.0907","0.0962","","","","","","1.042","","","","has coordinates","177786","2020-10-21","18:00:00",""
"7038109","19.259","0.0002","19.259","0.0002","61.2256","0.0012","90","","90","","90","","22709.1","0.6","150","2","150","2","","","","","","","","5","I 41/a m d :2","-I 4bd 2","141","","","","- C46 H28 Cu3 N2 O13 -","- C46 H28 Cu3 N2 O13 -","- C368 H224 Cu24 N16 O104 -","8","0.25","","Wei, Lian-Qiang; Chen, Qing; Tang, Li-Le; Zhuang, Chong; Zhu, Wen-Run; Lin, Ning","A porous metal-organic framework with a unique hendecahedron-shaped cage: structure and controlled drug release.","Dalton transactions (Cambridge, England : 2003)","2016","45","9","3694","3697","10.1039/c5dt04379d","","","0.71073","MoKα","","0.0456","0.0403","","","0.1474","0.1497","","","","","","1.131","","","","has coordinates","177868","2020-10-21","18:00:00",""
"7038110","14.328","0.003","23.025","0.005","27.224","0.005","90","","97.25","0.03","90","","8909","3","123","2","123","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C59.5 H119.5 As6 K3 N8 Nb O18 Sn3 -","- C59.5 H119.5 As6 K3 N8 Nb O18 Sn3 -","- C238 H478 As24 K12 N32 Nb4 O72 Sn12 -","4","1","","Pan, Fu-Xing; Xu, Cong-Qiao; Li, Lei-Jiao; Min, Xue; Wang, Jian-Qiang; Li, Jun; Zhai, Hua-Jin; Sun, Zhong-Ming","A niobium-necked cluster [As3Nb(As3Sn3)](3-) with aromatic Sn3(2-) .","Dalton transactions (Cambridge, England : 2003)","2016","45","9","3874","3879","10.1039/c6dt00028b","","","0.71073","MoKα","","0.1019","0.0588","","","0.119","0.1336","","","","","","1.038","","","","has coordinates","177869","2020-10-21","18:00:00",""
"7038111","9.7029","0.0006","18.0209","0.001","13.1321","0.0007","90","","107.637","0.001","90","","2188.3","0.2","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H26 F36 O10 Yb2 -","- C26 H26 F36 O10 Yb2 -","- C52 H52 F72 O20 Yb4 -","2","0.5","","Kuzyaev, D. M.; Balashova, T. V.; Burin, M. E.; Fukin, G. K.; Rumyantcev, R. V.; Pushkarev, A. P.; Ilichev, V. A.; Grishin, I. D.; Vorozhtsov, D. L.; Bochkarev, M. N.","Synthesis, structure and luminescent properties of lanthanide fluoroalkoxides.","Dalton transactions (Cambridge, England : 2003)","2016","45","8","3464","3472","10.1039/c5dt04636j","","","0.71073","MoKα","","0.0561","0.0419","","","0.1062","0.1127","","","","","","1.055","","","","has coordinates,has disorder","177846","2020-10-21","18:00:00",""
"7038112","9.563","0.0019","17.979","0.004","13.37","0.003","90","","106.261","0.004","90","","2206.8","0.8","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H26 F36 O10 Sm2 -","- C26 H26 F36 O10 Sm2 -","- C52 H52 F72 O20 Sm4 -","2","0.5","","Kuzyaev, D. M.; Balashova, T. V.; Burin, M. E.; Fukin, G. K.; Rumyantcev, R. V.; Pushkarev, A. P.; Ilichev, V. A.; Grishin, I. D.; Vorozhtsov, D. L.; Bochkarev, M. N.","Synthesis, structure and luminescent properties of lanthanide fluoroalkoxides.","Dalton transactions (Cambridge, England : 2003)","2016","45","8","3464","3472","10.1039/c5dt04636j","","","0.71073","MoKα","","0.0672","0.0479","","","0.092","0.0965","","","","","","1.031","","","","has coordinates,has disorder","177846","2020-10-21","18:00:00",""
"7038113","9.54922","0.00017","20.506","0.0003","13.29116","0.00017","90","","100.898","0.0014","90","","2555.69","0.07","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C42 H22 Ce2 F36 N4 O6 -","- C42 H22 Ce2 F36 N4 O6 -","- C84 H44 Ce4 F72 N8 O12 -","2","0.5","","Kuzyaev, D. M.; Balashova, T. V.; Burin, M. E.; Fukin, G. K.; Rumyantcev, R. V.; Pushkarev, A. P.; Ilichev, V. A.; Grishin, I. D.; Vorozhtsov, D. L.; Bochkarev, M. N.","Synthesis, structure and luminescent properties of lanthanide fluoroalkoxides.","Dalton transactions (Cambridge, England : 2003)","2016","45","8","3464","3472","10.1039/c5dt04636j","","","0.71073","MoKα","","0.0434","0.032","","","0.066","0.0694","","","","","","1.052","","","","has coordinates,has disorder","177846","2020-10-21","18:00:00",""
"7038114","20.3363","0.0009","13.8976","0.0006","32.5868","0.0015","90","","95.031","0.001","90","","9174.4","0.7","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C43 H25 Ce F24 N4 O4 -","- C43 H25 Ce F24 N4 O4 -","- C344 H200 Ce8 F192 N32 O32 -","8","1","","Kuzyaev, D. M.; Balashova, T. V.; Burin, M. E.; Fukin, G. K.; Rumyantcev, R. V.; Pushkarev, A. P.; Ilichev, V. A.; Grishin, I. D.; Vorozhtsov, D. L.; Bochkarev, M. N.","Synthesis, structure and luminescent properties of lanthanide fluoroalkoxides.","Dalton transactions (Cambridge, England : 2003)","2016","45","8","3464","3472","10.1039/c5dt04636j","","","0.71073","MoKα","","0.074","0.0668","","","0.1493","0.1529","","","","","","1.038","","","","has coordinates,has disorder","177846","2020-10-21","18:00:00",""
"7038115","10.7448","0.0004","13.4413","0.0005","19.2506","0.0008","90.229","0.001","102.887","0.001","94.797","0.001","2699.99","0.18","100","2","100","2","","","","","","","","5","P 1","P 1","1","","","","- C66 H64 F84 O20 Sm6 -","- C66 H64 F84 O20 Sm6 -","- C66 H64 F84 O20 Sm6 -","1","1","","Kuzyaev, D. M.; Balashova, T. V.; Burin, M. E.; Fukin, G. K.; Rumyantcev, R. V.; Pushkarev, A. P.; Ilichev, V. A.; Grishin, I. D.; Vorozhtsov, D. L.; Bochkarev, M. N.","Synthesis, structure and luminescent properties of lanthanide fluoroalkoxides.","Dalton transactions (Cambridge, England : 2003)","2016","45","8","3464","3472","10.1039/c5dt04636j","","","0.71073","MoKα","","0.082","0.0603","","","0.1527","0.1647","","","","","","1.044","","","","has coordinates","177846","2020-10-21","18:00:00",""
"7038116","13.17185","0.00019","16.6717","0.0002","23.4167","0.0004","90","","91.8369","0.0014","90","","5139.6","0.13","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C29 H27 Eu2 F42 O11 Y -","- C29 H27 Eu2 F42 O11 Y -","- C116 H108 Eu8 F168 O44 Y4 -","4","1","","Kuzyaev, D. M.; Balashova, T. V.; Burin, M. E.; Fukin, G. K.; Rumyantcev, R. V.; Pushkarev, A. P.; Ilichev, V. A.; Grishin, I. D.; Vorozhtsov, D. L.; Bochkarev, M. N.","Synthesis, structure and luminescent properties of lanthanide fluoroalkoxides.","Dalton transactions (Cambridge, England : 2003)","2016","45","8","3464","3472","10.1039/c5dt04636j","","","0.71073","MoKα","","0.0485","0.0393","","","0.0909","0.0953","","","","","","1.037","","","","has coordinates,has disorder","177846","2020-10-21","18:00:00",""
"7038117","5.1153","0.0003","11.7022","0.0005","5.1878","0.0002","90","","90.244","0.005","90","","310.54","0.03","293","2","293","2","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","'Bismuth Vanadium Moybdenum oxide'","","- Bi0.97 Mo0.07 O4 V0.93 -","- Bi0.97662 Mo0.07022 O4 V0.92976 -","- Bi3.90648 Mo0.28088 O16 V3.71904 -","4","0.5","","Terebilenko, Kateryna V.; Bychkov, Konstantin L.; Baumer, Vyacheslav N.; Slobodyanik, Nikolay S.; Pavliuk, Mariia V.; Thapper, Anders; Tokmenko, Inna I.; Nasieka, Iurii M.; Strelchuk, Viktor V.","Structural transformation of Bi1-x/3V1-xMoxO4 solid solutions for light-driven water oxidation.","Dalton transactions (Cambridge, England : 2003)","2016","45","9","3895","3904","10.1039/c5dt04829j","","","0.71073","MoKα","","0.0712","0.051","","","0.1212","0.1349","","","","","","0.994","","","","has coordinates","177874","2020-10-21","18:00:00",""
"7038118","7.47341","0.00015","13.3443","0.0002","12.4703","0.0002","90","","91.9932","0.0016","90","","1242.88","0.04","130","2","130","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C6 H8 Bi Br4 N -","- C6 H8 Bi Br4 N -","- C24 H32 Bi4 Br16 N4 -","4","1","","Adonin, S. A.; Gorokh, I. D.; Abramov, P. A.; Plyusnin, P. E.; Sokolov, M. N.; Fedin, V. P.","Trapping molecular bromine: a one-dimensional bromobismuthate complex with Br2 as a linker.","Dalton transactions (Cambridge, England : 2003)","2016","45","9","3691","3693","10.1039/c5dt04464b","","x-ray","0.71073","MoKα","","0.0289","0.0219","","","0.0424","0.044","","","","","","1.105","","","","has coordinates","177853","2020-10-21","18:00:00",""
"7038119","15.0999","0.0003","10.6848","0.0002","22.747","0.0005","90","","90","","90","","3669.99","0.13","296","2","296","0.1","","","","","","","","5","P c a m","-P 2c 2ac","57","","","","- C18 H24 Bi2 Br11 N3 -","- C18 H24 Bi2 Br11 N3 -","- C72 H96 Bi8 Br44 N12 -","4","0.5","","Adonin, S. A.; Gorokh, I. D.; Abramov, P. A.; Plyusnin, P. E.; Sokolov, M. N.; Fedin, V. P.","Trapping molecular bromine: a one-dimensional bromobismuthate complex with Br2 as a linker.","Dalton transactions (Cambridge, England : 2003)","2016","45","9","3691","3693","10.1039/c5dt04464b","","x-ray","0.71073","MoKα","","0.0639","0.0507","","","0.1226","0.1315","","","","","","1.047","","","","has coordinates,has disorder","177853","2020-10-21","18:00:00",""
"7038120","8.2118","0.001","14.887","0.0017","15.0508","0.0018","68.791","0.006","84.145","0.007","75.664","0.006","1661.7","0.4","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C70.28 H64.28 B2 Cl6.84 N4 Zn -","- C70.28 H64.28 B2 Cl6.84 N4 Zn -","- C70.28 H64.28 B2 Cl6.84 N4 Zn -","1","0.5","","P, Chinna Ayya Swamy; Thilagar, Pakkirisamy","Multiple emissive triarylborane-A2H2 and triarylborane-Zn-A2H2 porphyrin conjugates.","Dalton transactions (Cambridge, England : 2003)","2016","45","11","4688","4696","10.1039/c5dt02678d","","","0.71073","MoKα","","0.1285","0.0748","","","0.1999","0.2321","","","","","","1.0778","","","","has coordinates,has disorder","181699","2020-10-21","18:00:00",""
"7038121","8.314","0.003","19.255","0.008","15.27","0.007","90","","104.617","0.008","90","","2365.4","1.7","100","2","100","1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C24 H27 Cl2 N2 P Ti -","- C24 H27 Cl2 N2 P Ti -","- C96 H108 Cl8 N8 P4 Ti4 -","4","1","","Batke, S.; Kothe, T.; Haas, M.; Wadepohl, H.; Ballmann, J.","Diamidophosphines with six-membered chelates and their coordination chemistry with group 4 metals: development of a trimethylene-methane-tethered [PN2]-type ""molecular claw"".","Dalton transactions (Cambridge, England : 2003)","2016","45","8","3528","3540","10.1039/c5dt04911c","","x-ray","0.71073","MoKα","","0.0375","0.0289","","","0.0708","0.0761","","","","","","1.059","","","","has coordinates","177848","2020-10-21","18:00:00",""
"7038122","8.582","0.003","11.757","0.005","14.513","0.005","66.612","0.007","84.723","0.008","75.566","0.012","1301.6","0.9","100","2","100","1","","","","","","","","6","P -1","-P 1","2","","","","- C25 H29 Cl4 N2 P Zr -","- C25 H29 Cl4 N2 P Zr -","- C50 H58 Cl8 N4 P2 Zr2 -","2","1","","Batke, S.; Kothe, T.; Haas, M.; Wadepohl, H.; Ballmann, J.","Diamidophosphines with six-membered chelates and their coordination chemistry with group 4 metals: development of a trimethylene-methane-tethered [PN2]-type ""molecular claw"".","Dalton transactions (Cambridge, England : 2003)","2016","45","8","3528","3540","10.1039/c5dt04911c","","x-ray","0.71073","MoKα","","0.0263","0.0225","","","0.0563","0.0585","","","","","","1.044","","","","has coordinates","177848","2020-10-21","18:00:00",""
"7038123","8.58828","0.00012","11.7688","0.0002","14.5396","0.0003","66.6471","0.0016","84.8482","0.0013","75.6062","0.0013","1306.77","0.04","120","1","120","1","","","","","","","","6","P -1","-P 1","2","","","","- C25 H29 Cl4 Hf N2 P -","- C25 H29 Cl4 Hf N2 P -","- C50 H58 Cl8 Hf2 N4 P2 -","2","1","","Batke, S.; Kothe, T.; Haas, M.; Wadepohl, H.; Ballmann, J.","Diamidophosphines with six-membered chelates and their coordination chemistry with group 4 metals: development of a trimethylene-methane-tethered [PN2]-type ""molecular claw"".","Dalton transactions (Cambridge, England : 2003)","2016","45","8","3528","3540","10.1039/c5dt04911c","","x-ray","0.71073","MoKα","","0.0262","0.0231","","","0.0606","0.062","","","","","","1.099","","","","has coordinates","177848","2020-10-21","18:00:00",""
"7038124","10.232","0.004","11.587","0.005","15.894","0.007","87.52","0.008","74.549","0.01","66.993","0.011","1667.9","1.2","100","2","100","1","","","","","","","","6","P -1","-P 1","2","","","","- C30 H47 N4 P Si2 Zr -","- C30 H47 N4 P Si2 Zr -","- C60 H94 N8 P2 Si4 Zr2 -","2","1","","Batke, S.; Kothe, T.; Haas, M.; Wadepohl, H.; Ballmann, J.","Diamidophosphines with six-membered chelates and their coordination chemistry with group 4 metals: development of a trimethylene-methane-tethered [PN2]-type ""molecular claw"".","Dalton transactions (Cambridge, England : 2003)","2016","45","8","3528","3540","10.1039/c5dt04911c","","x-ray","0.71073","MoKα","","0.0357","0.0277","","","0.0627","0.0666","","","","","","1.042","","","","has coordinates","177848","2020-10-21","18:00:00",""
"7038125","10.22","0.005","11.565","0.007","15.89","0.009","87.543","0.009","74.477","0.008","67.14","0.011","1663.5","1.6","100","2","100","1","","","","","","","","6","P -1","-P 1","2","","","","- C30 H47 Hf N4 P Si2 -","- C30 H47 Hf N4 P Si2 -","- C60 H94 Hf2 N8 P2 Si4 -","2","1","","Batke, S.; Kothe, T.; Haas, M.; Wadepohl, H.; Ballmann, J.","Diamidophosphines with six-membered chelates and their coordination chemistry with group 4 metals: development of a trimethylene-methane-tethered [PN2]-type ""molecular claw"".","Dalton transactions (Cambridge, England : 2003)","2016","45","8","3528","3540","10.1039/c5dt04911c","","x-ray","0.71073","MoKα","","0.0231","0.0195","","","0.0455","0.0472","","","","","","1.063","","","","has coordinates","177848","2020-10-21","18:00:00",""
"7038126","11.107","0.004","19.914","0.008","14.621","0.006","90","","102.102","0.01","90","","3162","2","100","2","100","1","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C26 H35 Hf I2 N2 P Si2 -","- C26 H35 Hf I2 N2 P Si2 -","- C104 H140 Hf4 I8 N8 P4 Si8 -","4","1","","Batke, S.; Kothe, T.; Haas, M.; Wadepohl, H.; Ballmann, J.","Diamidophosphines with six-membered chelates and their coordination chemistry with group 4 metals: development of a trimethylene-methane-tethered [PN2]-type ""molecular claw"".","Dalton transactions (Cambridge, England : 2003)","2016","45","8","3528","3540","10.1039/c5dt04911c","","x-ray","0.71073","MoKα","","0.0204","0.0173","","","0.0394","0.0405","","","","","","1.033","","","","has coordinates","177848","2020-10-21","18:00:00",""
"7038127","13.896","0.0003","20.099","0.0004","9.01231","0.00014","90","","90","","90","","2517.1","0.08","120","1","120","1","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C24 H35 Cl2 N2 P Ti -","- C24 H35 Cl2 N2 P Ti -","- C96 H140 Cl8 N8 P4 Ti4 -","4","0.5","","Batke, S.; Kothe, T.; Haas, M.; Wadepohl, H.; Ballmann, J.","Diamidophosphines with six-membered chelates and their coordination chemistry with group 4 metals: development of a trimethylene-methane-tethered [PN2]-type ""molecular claw"".","Dalton transactions (Cambridge, England : 2003)","2016","45","8","3528","3540","10.1039/c5dt04911c","","x-ray","1.54184","CuKα","","0.0988","0.089","","","0.1901","0.1932","","","","","","1.328","","","","has coordinates","177848","2020-10-21","18:00:00",""
"7038128","10.516","0.004","29.311","0.011","9.277","0.004","90","","114.21","0.009","90","","2608","1.8","100","2","100","1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C24 H35 Cl2 Hf N2 P -","- C24 H35 Cl2 Hf N2 P -","- C96 H140 Cl8 Hf4 N8 P4 -","4","1","","Batke, S.; Kothe, T.; Haas, M.; Wadepohl, H.; Ballmann, J.","Diamidophosphines with six-membered chelates and their coordination chemistry with group 4 metals: development of a trimethylene-methane-tethered [PN2]-type ""molecular claw"".","Dalton transactions (Cambridge, England : 2003)","2016","45","8","3528","3540","10.1039/c5dt04911c","","x-ray","0.71073","MoKα","","0.0336","0.033","","","0.07","0.0705","","","","","","1.426","","","","has coordinates","177848","2020-10-21","18:00:00",""
"7038129","16.53716","0.00005","19.78721","0.00007","20.54069","0.00009","90","","90","","90","","6721.41","0.04","120","1","120","1","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C38 H49 N2 P Zr -","- C38 H49 N2 P Zr -","- C304 H392 N16 P8 Zr8 -","8","1","","Batke, S.; Kothe, T.; Haas, M.; Wadepohl, H.; Ballmann, J.","Diamidophosphines with six-membered chelates and their coordination chemistry with group 4 metals: development of a trimethylene-methane-tethered [PN2]-type ""molecular claw"".","Dalton transactions (Cambridge, England : 2003)","2016","45","8","3528","3540","10.1039/c5dt04911c","","x-ray","1.54184","CuKα","","0.0241","0.0228","","","0.0555","0.0562","","","","","","1.076","","","","has coordinates","177848","2020-10-21","18:00:00",""
"7038130","10.563","0.005","13.972","0.005","18.013","0.006","67.788","0.01","76.918","0.01","80.174","0.011","2386.6","1.6","140","2","140","2","","","","","","","","5","P -1","-P 1","2","","","","- C56 H42 Co2 N6 O6 -","- C56 H42 Co2 N6 O6 -","- C112 H84 Co4 N12 O12 -","2","1","","Mondal, Amit Kumar; Parmar, Vijay Singh; Biswas, Soumava; Konar, Sanjit","Tetrahedral M(II) based binuclear double-stranded helicates: single-ion-magnet and fluorescence behaviour.","Dalton transactions (Cambridge, England : 2003)","2016","45","11","4548","4557","10.1039/c5dt04173b","","","0.71073","MoKα","","0.0458","0.0322","","","0.0772","0.0833","","","","","","1.031","","","","has coordinates","181707","2020-10-21","18:00:00",""
"7038131","14.36","0.004","20.04","0.005","24.584","0.007","90","","103.796","0.008","90","","6871","3","120","2","120","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C60 H52 Co2 N4 O10 -","- C60 H52 Co2 N4 O10 -","- C240 H208 Co8 N16 O40 -","4","1","","Mondal, Amit Kumar; Parmar, Vijay Singh; Biswas, Soumava; Konar, Sanjit","Tetrahedral M(II) based binuclear double-stranded helicates: single-ion-magnet and fluorescence behaviour.","Dalton transactions (Cambridge, England : 2003)","2016","45","11","4548","4557","10.1039/c5dt04173b","","","0.71073","MoKα","","0.1048","0.0621","","","0.1517","0.1747","","","","","","1.0497","","","","has coordinates,has disorder","181707","2020-10-21","18:00:00",""
"7038132","14.061","0.004","14.295","0.004","14.799","0.004","70.968","0.009","65.639","0.008","70.068","0.009","2487","1.2","140","2","140","2","","","","","","","","5","P -1","-P 1","2","","","","- C57 H46 N6 O7 Zn2 -","- C57 H46 N6 O7 Zn2 -","- C114 H92 N12 O14 Zn4 -","2","1","","Mondal, Amit Kumar; Parmar, Vijay Singh; Biswas, Soumava; Konar, Sanjit","Tetrahedral M(II) based binuclear double-stranded helicates: single-ion-magnet and fluorescence behaviour.","Dalton transactions (Cambridge, England : 2003)","2016","45","11","4548","4557","10.1039/c5dt04173b","","","0.71073","MoKα","","0.057","0.0373","","","0.1152","0.1317","","","","","","0.945","","","","has coordinates","181707","2020-10-21","18:00:00",""
"7038133","23.8383","0.0008","13.1878","0.0005","20.349","0.0006","90","","110.454","0.002","90","","5993.9","0.4","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C60 H52 N4 O10 Zn2 -","- C60 H52 N4 O10 Zn2 -","- C240 H208 N16 O40 Zn8 -","4","0.5","","Mondal, Amit Kumar; Parmar, Vijay Singh; Biswas, Soumava; Konar, Sanjit","Tetrahedral M(II) based binuclear double-stranded helicates: single-ion-magnet and fluorescence behaviour.","Dalton transactions (Cambridge, England : 2003)","2016","45","11","4548","4557","10.1039/c5dt04173b","","","0.71073","MoKα","","0.0655","0.0489","","","0.1363","0.1476","","","","","","0.828","","","","has coordinates,has disorder","181707","2020-10-21","18:00:00",""
"7038134","24.0691","0.0008","7.99","0.0002","12.8109","0.0004","90","","100.153","0.003","90","","2425.11","0.13","298","2","298","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C31 H26 N2 O2 -","- C31 H26 N2 O2 -","- C124 H104 N8 O8 -","4","0.5","","Saini, Anoop Kumar; Srivastava, Mansi; Sharma, Vinay; Mishra, Veenu; Mobin, Shaikh M.","A highly selective, sensitive and reversible fluorescence chemosensor for Zn(2+) and its cell viability.","Dalton transactions (Cambridge, England : 2003)","2016","45","9","3927","3935","10.1039/c5dt04945h","","","1.54184","CuKα","","0.0935","0.0881","","","0.3069","0.3161","","","","","","1.162","","","","has coordinates","177876","2020-10-21","18:00:00",""
"7038135","35.3364","0.0006","35.3364","0.0006","10.7274","0.0002","90","","90","","120","","11600.3","0.4","150","2","150","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C62 H48 N4 O4 Zn2 -","- C62 H48 N4 O4 Zn2 -","- C558 H432 N36 O36 Zn18 -","9","0.5","","Saini, Anoop Kumar; Srivastava, Mansi; Sharma, Vinay; Mishra, Veenu; Mobin, Shaikh M.","A highly selective, sensitive and reversible fluorescence chemosensor for Zn(2+) and its cell viability.","Dalton transactions (Cambridge, England : 2003)","2016","45","9","3927","3935","10.1039/c5dt04945h","","","0.71073","MoKα","","0.0442","0.0365","","","0.0926","0.0968","","","","","","1.065","","","","has coordinates","177876","2020-10-21","18:00:00",""
"7038136","13.5799","0.0006","20.0897","0.0009","23.0045","0.001","99.02","0.003","90.469","0.003","107.358","0.002","5906","0.5","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C16 H110 Mo21 N8 O98 P6 -","- C12 H46 Mo21 N6 O84 P6 -","- C24 H92 Mo42 N12 O168 P12 -","2","1","","Jin, Xiang-Xiao; Yu, Wei-Dong; Nie, Yan-Mei; Liu, Meng-Shu; Yan, Jun","Synthesis and characterization of [(HPO3)6Mo21O60(H2O)4](8-): a new redox active heteropoly blue cluster with layered shape containing a phosphite template that self-assembles under controlled microwave irradiation.","Dalton transactions (Cambridge, England : 2003)","2016","45","8","3268","3271","10.1039/c5dt04977f","","","0.71073","MoKα","","0.1592","0.0733","","","0.1784","0.2034","","","","","","0.966","","","","has coordinates","177840","2020-10-21","18:00:00",""
"7038137","22.5266","0.0005","19.5714","0.0004","11.2097","0.0002","90","","90","","90","","4942.1","0.17","296","2","296","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C12 H46 Mo12 N6 O40 P -","- C12 H46 Mo12 N6 O40 P -","- C48 H184 Mo48 N24 O160 P4 -","4","0.5","","Jin, Xiang-Xiao; Yu, Wei-Dong; Nie, Yan-Mei; Liu, Meng-Shu; Yan, Jun","Synthesis and characterization of [(HPO3)6Mo21O60(H2O)4](8-): a new redox active heteropoly blue cluster with layered shape containing a phosphite template that self-assembles under controlled microwave irradiation.","Dalton transactions (Cambridge, England : 2003)","2016","45","8","3268","3271","10.1039/c5dt04977f","","","0.71073","MoKα","","0.0725","0.0554","","","0.13","0.1485","","","","","","1.205","","","","has coordinates","177840","2020-10-21","18:00:00",""
"7038138","26.184","0.003","15.0342","0.0015","20.694","0.002","90","","115.048","0.011","90","","7380.2","1.5","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C33 H50 F6 N5 Ni Sb -","- C33 H50 F6 N5 Ni Sb -","- C264 H400 F48 N40 Ni8 Sb8 -","8","1","","Zhou, Wen; Rath, Nigam P.; Mirica, Liviu M.","Oxidatively-induced aromatic cyanation mediated by Ni(iii).","Dalton transactions (Cambridge, England : 2003)","2016","45","21","8693","8695","10.1039/c6dt00064a","","","0.71073","MoKα","","0.1584","0.1056","","","0.2435","0.2688","","","","","","1.375","","","","has coordinates,has disorder","185436","2020-10-21","18:00:00",""
"7038139","12.3928","0.0013","43.389","0.005","12.6838","0.0013","90","","90.013","0.002","90","","6820.2","1.3","100","2","100","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C48 H96 I5 N2 Nd3 O12 S4 -","- C48 H96 I5 N2 Nd3 O12 S4 -","- C192 H384 I20 N8 Nd12 O48 S16 -","4","2","","Fagin, A. A.; Fukin, G. K.; Cherkasov, A. V.; Shestakov, A. F.; Pushkarev, A. P.; Balashova, T. V.; Maleev, A. A.; Bochkarev, M. N.","Ln3I5(S2N2)(S2)(THF)10- a new type of molecular compounds.","Dalton transactions (Cambridge, England : 2003)","2016","45","11","4558","4562","10.1039/c5dt04742k","","","0.71073","MoKα","","0.0624","0.045","","","0.0639","0.0671","","","","","","1.009","","","","has coordinates","181687","2020-10-21","18:00:00",""
"7038140","12.418","0.0014","43.476","0.005","12.7074","0.0015","90","","90.03","0.002","90","","6860.5","1.4","100","2","100","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C48 H96 Dy3 I5 N2 O12 S4 -","- C48 H96 Dy3 I5 N2 O12 S4 -","- C192 H384 Dy12 I20 N8 O48 S16 -","4","2","","Fagin, A. A.; Fukin, G. K.; Cherkasov, A. V.; Shestakov, A. F.; Pushkarev, A. P.; Balashova, T. V.; Maleev, A. A.; Bochkarev, M. N.","Ln3I5(S2N2)(S2)(THF)10- a new type of molecular compounds.","Dalton transactions (Cambridge, England : 2003)","2016","45","11","4558","4562","10.1039/c5dt04742k","","","0.71073","MoKα","","0.0346","0.034","","","0.0848","0.0851","","","","","","1.085","","","","has coordinates","181687","2020-10-21","18:00:00",""
"7038141","12.5369","0.0002","12.7379","0.0002","43.8743","0.0007","90","","90","","90","","7006.45","0.19","100","2","100","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C47.54 H96.77 I5 N2.57 Nd3 O11.44 S4 -","- C47.538 H96.762 I5 N2.562 Nd3 O11.438 S4 -","- C190.152 H387.048 I20 N10.248 Nd12 O45.752 S16 -","4","1","","Fagin, A. A.; Fukin, G. K.; Cherkasov, A. V.; Shestakov, A. F.; Pushkarev, A. P.; Balashova, T. V.; Maleev, A. A.; Bochkarev, M. N.","Ln3I5(S2N2)(S2)(THF)10- a new type of molecular compounds.","Dalton transactions (Cambridge, England : 2003)","2016","45","11","4558","4562","10.1039/c5dt04742k","","","0.71073","MoKα","","0.0558","0.054","","","0.1107","0.1118","","","","","","1.188","","","","has coordinates,has disorder","181687","2020-10-21","18:00:00",""
"7038142","10.843","0.002","12.324","0.002","18.699","0.003","77.714","0.002","81.478","0.002","71.588","0.002","2307.7","0.7","128","2","128","2","","","","","","","","7","P 1","P 1","1","Binolphosphine","","","- C36 H55 N4 O P Si3 Zr -","- C36 H55 N4 O P Si3 Zr -","- C72 H110 N8 O2 P2 Si6 Zr2 -","2","2","","Bange, Christine A.; Ghebreab, Michael B.; Ficks, Arne; Mucha, Neil T.; Higham, Lee; Waterman, Rory","Zirconium-catalyzed intermolecular hydrophosphination using a chiral, air-stable primary phosphine.","Dalton transactions (Cambridge, England : 2003)","2016","45","5","1863","1867","10.1039/c5dt03544a","","","0.71073","","","0.0606","0.0485","","","0.1255","0.1327","","","","","","1.056","","","","has coordinates","192220","2020-10-21","18:00:00",""
"7038143","15.6938","0.0007","17.052","0.0008","26.2736","0.0012","90","","90","","90","","7031.1","0.6","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C70.5 H63 F10 O5.5 P4 Pt3 -","- C70.5 H61 F10 O5.5 P4 Pt3 -","- C282 H244 F40 O22 P16 Pt12 -","4","1","","Ara, Irene; Forniés, Juan; Ibáñez, Susana; Mastrorilli, Piero; Todisco, Stefano; Gallo, Vito","Polynuclear platinum phosphanido/phosphinito complexes: formation of P-O and P-O-P bonds through reductive coupling processes.","Dalton transactions (Cambridge, England : 2003)","2016","45","5","2156","2171","10.1039/c5dt02593a","","","0.71073","MoKα","","0.0475","0.0426","","","0.0993","0.1018","","","","","","1.057","","","","has coordinates","175207","2020-10-21","18:00:00",""
"7038144","13.2595","0.0008","15.341","0.0009","21.3535","0.0013","76.5992","0.0008","83.0608","0.0008","67.1476","0.0008","3891.4","0.4","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C86.5 H65 F10 O1.5 P6 Pt3 -","- C86.5 H65 F10 O1.5 P6 Pt3 -","- C173 H130 F20 O3 P12 Pt6 -","2","1","","Ara, Irene; Forniés, Juan; Ibáñez, Susana; Mastrorilli, Piero; Todisco, Stefano; Gallo, Vito","Polynuclear platinum phosphanido/phosphinito complexes: formation of P-O and P-O-P bonds through reductive coupling processes.","Dalton transactions (Cambridge, England : 2003)","2016","45","5","2156","2171","10.1039/c5dt02593a","","","0.71073","MoKα","","0.0979","0.0637","","","0.1309","0.1456","","","","","","1.094","","","","has coordinates","175207","2020-10-21","18:00:00",""
"7038145","14.1168","0.0007","19.324","0.001","19.3754","0.001","81.887","0.001","73.116","0.001","82.839","0.001","4987.5","0.4","200","2","200","2","","","","","","","","8","P -1","-P 1","2","","","","- C109.5 H119 Ag Cl2 F10 O5 P6 Pt3 -","- C85.5 H63 Ag Cl2 F10 O5 P6 Pt3 -","- C171 H126 Ag2 Cl4 F20 O10 P12 Pt6 -","2","1","","Ara, Irene; Forniés, Juan; Ibáñez, Susana; Mastrorilli, Piero; Todisco, Stefano; Gallo, Vito","Polynuclear platinum phosphanido/phosphinito complexes: formation of P-O and P-O-P bonds through reductive coupling processes.","Dalton transactions (Cambridge, England : 2003)","2016","45","5","2156","2171","10.1039/c5dt02593a","","","0.71073","MoKα","","0.0887","0.0701","","","0.1627","0.1706","","","","","","1.103","","","","has coordinates,has disorder","175207","2020-10-21","18:00:00",""
"7038146","11.7673","0.0006","14.5107","0.0007","26.1772","0.0013","97.756","0.001","95.676","0.001","97.024","0.001","4365.3","0.4","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C83.5 H92.5 Cl F10 N O2 P4 Pt3 -","- C83.5 H92.5 Cl F10 N O2 P4 Pt3 -","- C167 H185 Cl2 F20 N2 O4 P8 Pt6 -","2","1","","Ara, Irene; Forniés, Juan; Ibáñez, Susana; Mastrorilli, Piero; Todisco, Stefano; Gallo, Vito","Polynuclear platinum phosphanido/phosphinito complexes: formation of P-O and P-O-P bonds through reductive coupling processes.","Dalton transactions (Cambridge, England : 2003)","2016","45","5","2156","2171","10.1039/c5dt02593a","","","0.71073","MoKα","","0.0657","0.0469","","","0.1098","0.1178","","","","","","1.073","","","","has coordinates","175207","2020-10-21","18:00:00",""
"7038147","12.3303","0.0006","16.2895","0.0007","20.5648","0.0009","81.226","0.001","82.861","0.001","86.775","0.001","4047.6","0.3","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C84 H89 F10 N O4 P4 Pt3 -","- C84 H89 F10 N O4 P4 Pt3 -","- C168 H178 F20 N2 O8 P8 Pt6 -","2","1","","Ara, Irene; Forniés, Juan; Ibáñez, Susana; Mastrorilli, Piero; Todisco, Stefano; Gallo, Vito","Polynuclear platinum phosphanido/phosphinito complexes: formation of P-O and P-O-P bonds through reductive coupling processes.","Dalton transactions (Cambridge, England : 2003)","2016","45","5","2156","2171","10.1039/c5dt02593a","","","0.71073","MoKα","","0.0313","0.0254","","","0.0594","0.0626","","","","","","1.045","","","","has coordinates","175207","2020-10-21","18:00:00",""
"7038148","13.1529","0.0008","50.083","0.003","13.8499","0.0009","90","","97.62","0.001","90","","9042.9","1","100","2","100","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C95 H92 Cl3 F10 N O1.5 P5 Pt3 -","- C95 H91 Cl3 F10 N O1.5 P5 Pt3 -","- C380 H364 Cl12 F40 N4 O6 P20 Pt12 -","4","1","","Ara, Irene; Forniés, Juan; Ibáñez, Susana; Mastrorilli, Piero; Todisco, Stefano; Gallo, Vito","Polynuclear platinum phosphanido/phosphinito complexes: formation of P-O and P-O-P bonds through reductive coupling processes.","Dalton transactions (Cambridge, England : 2003)","2016","45","5","2156","2171","10.1039/c5dt02593a","","","0.71073","MoKα","","0.0868","0.077","","","0.1498","0.1534","","","","","","1.29","","","","has coordinates,has disorder","175207","2020-10-21","18:00:00",""
"7038149","15.5689","0.0008","25.4115","0.0013","19.2739","0.001","90","","96.108","0.001","90","","7582","0.7","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C80 H59 Cl4 F10 O P5 Pt3 -","- C80 H59 Cl3.75 F10 O P5 Pt3 -","- C320 H236 Cl15 F40 O4 P20 Pt12 -","4","1","","Ara, Irene; Forniés, Juan; Ibáñez, Susana; Mastrorilli, Piero; Todisco, Stefano; Gallo, Vito","Polynuclear platinum phosphanido/phosphinito complexes: formation of P-O and P-O-P bonds through reductive coupling processes.","Dalton transactions (Cambridge, England : 2003)","2016","45","5","2156","2171","10.1039/c5dt02593a","","","0.71073","MoKα","","0.0786","0.0616","","","0.1465","0.1543","","","","","","1.16","","","","has coordinates","175207","2020-10-21","18:00:00",""
"7038150","15.139","0.002","9.8506","0.0013","22.244","0.003","90","","92.736","0.007","90","","3313.4","0.8","173","2","173","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C36 H54 P2 Si -","- C36 H54 P2 Si -","- C144 H216 P8 Si4 -","4","0.5","","Whited, Matthew T.; Deetz, Alexander M.; Donnell, Theodore M.; Janzen, Daron E.","Examining the role of Rh/Si cooperation in alkene hydrogenation by a pincer-type [P2Si]Rh complex.","Dalton transactions (Cambridge, England : 2003)","2016","45","24","9758","9761","10.1039/c6dt00027d","","","0.71075","MoKα","","0.0768","0.0546","","","0.1094","0.1169","","","","","","1.073","","","","has coordinates","185376","2020-10-21","18:00:00",""
"7038151","10.9558","0.0012","16.9365","0.0018","20.55","0.002","90","","96.203","0.007","90","","3790.8","0.7","173","2","173.15","","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C44 H36 F3 O3 P2 Rh S Si -","- C44 H36 F3 O3 P2 Rh S Si -","- C176 H144 F12 O12 P8 Rh4 S4 Si4 -","4","1","","Whited, Matthew T.; Deetz, Alexander M.; Donnell, Theodore M.; Janzen, Daron E.","Examining the role of Rh/Si cooperation in alkene hydrogenation by a pincer-type [P2Si]Rh complex.","Dalton transactions (Cambridge, England : 2003)","2016","45","24","9758","9761","10.1039/c6dt00027d","","","0.71075","MoKα","","0.0788","0.0516","","","0.0978","0.1067","","","","","","1.052","","","","has coordinates,has disorder","185376","2020-10-21","18:00:00",""
"7038152","11.5434","0.0005","17.6337","0.0007","20.4488","0.0008","90","","90","","90","","4162.4","0.3","100","2","100","2","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C44 H60 F3 O3 P2 Rh S Si -","- C44 H60 F3 O3 P2 Rh S Si -","- C176 H240 F12 O12 P8 Rh4 S4 Si4 -","4","1","","Whited, Matthew T.; Deetz, Alexander M.; Donnell, Theodore M.; Janzen, Daron E.","Examining the role of Rh/Si cooperation in alkene hydrogenation by a pincer-type [P2Si]Rh complex.","Dalton transactions (Cambridge, England : 2003)","2016","45","24","9758","9761","10.1039/c6dt00027d","","","0.71073","MoKα","","0.0519","0.0384","","","0.069","0.0724","","","","","","1.066","","","","has coordinates","185376","2020-10-21","18:00:00",""
"7038153","13.2957","0.0014","13.9009","0.0015","20.145","0.002","90","","97.111","0.007","90","","3694.6","0.7","173","2","173","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C74 H56 F6 O6 P4 Rh2 S2 Si2 -","- C74 H56 F6 O6 P4 Rh2 S2 Si2 -","- C148 H112 F12 O12 P8 Rh4 S4 Si4 -","2","0.5","","Whited, Matthew T.; Deetz, Alexander M.; Donnell, Theodore M.; Janzen, Daron E.","Examining the role of Rh/Si cooperation in alkene hydrogenation by a pincer-type [P2Si]Rh complex.","Dalton transactions (Cambridge, England : 2003)","2016","45","24","9758","9761","10.1039/c6dt00027d","","","0.71073","MoKα","","0.053","0.0392","","","0.0896","0.0954","","","","","","1.048","","","","has coordinates","185376","2020-10-21","18:00:00",""
"7038154","8.3988","0.0008","18.1925","0.0017","18.0948","0.0019","90","","106.931","0.002","90","","2645","0.4","296","2","296.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","[Dy(3-PNO)(BZA)3(H2O)], 12sep24h","","","- C27 H24 Dy N O8 -","- C27 H24 Dy N O8 -","- C108 H96 Dy4 N4 O32 -","4","1","","Zhu, Wen-Hua; Li, Shan; Gao, Chen; Xiong, Xia; Zhang, Yan; Liu, Li; Powell, Annie K.; Gao, Song","Lanthanide dinuclear complexes constructed from mixed oxygen-donor ligands: the effect of substituent positions of the neutral ligand on the magnetic dynamics in Dy analogues.","Dalton transactions (Cambridge, England : 2003)","2016","45","11","4614","4621","10.1039/c5dt04850h","","","0.71073","MoKα","","0.0435","0.0324","","","0.0732","0.078","","","","","","1.05","","","","has coordinates","181697","2020-10-21","18:00:00",""
"7038155","8.375","0.0006","18.1568","0.0012","18.1006","0.0013","90","","106.888","0.001","90","","2633.7","0.3","296","2","296.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C27 H24 Er N O8 -","- C27 H24 Er N O8 -","- C108 H96 Er4 N4 O32 -","4","1","","Zhu, Wen-Hua; Li, Shan; Gao, Chen; Xiong, Xia; Zhang, Yan; Liu, Li; Powell, Annie K.; Gao, Song","Lanthanide dinuclear complexes constructed from mixed oxygen-donor ligands: the effect of substituent positions of the neutral ligand on the magnetic dynamics in Dy analogues.","Dalton transactions (Cambridge, England : 2003)","2016","45","11","4614","4621","10.1039/c5dt04850h","","","0.71073","MoKα","","0.0324","0.0242","","","0.0553","0.0585","","","","","","1.027","","","","has coordinates","181697","2020-10-21","18:00:00",""
"7038156","8.2471","0.0007","19.1711","0.0017","16.5391","0.0014","90","","95.796","0.001","90","","2601.6","0.4","296","2","296.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","[Nd(4-PNO)(BZA)3(H2O)], 12nov12i","","","- C27 H24 N Nd O8 -","- C27 H24 N Nd O8 -","- C108 H96 N4 Nd4 O32 -","4","1","","Zhu, Wen-Hua; Li, Shan; Gao, Chen; Xiong, Xia; Zhang, Yan; Liu, Li; Powell, Annie K.; Gao, Song","Lanthanide dinuclear complexes constructed from mixed oxygen-donor ligands: the effect of substituent positions of the neutral ligand on the magnetic dynamics in Dy analogues.","Dalton transactions (Cambridge, England : 2003)","2016","45","11","4614","4621","10.1039/c5dt04850h","","","0.71073","MoKα","","0.0498","0.0311","","","0.0863","0.0963","","","","","","1.04","","","","has coordinates","181697","2020-10-21","18:00:00",""
"7038157","8.3407","0.0008","19.2388","0.0017","16.5315","0.0015","90","","95.578","0.002","90","","2640.2","0.4","296","2","296.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","[Eu(4-PNO)(BZA)3(H2O)], 13feb28c","","","- C27 H24 Eu N O8 -","- C27 H24 Eu N O8 -","- C108 H96 Eu4 N4 O32 -","4","1","","Zhu, Wen-Hua; Li, Shan; Gao, Chen; Xiong, Xia; Zhang, Yan; Liu, Li; Powell, Annie K.; Gao, Song","Lanthanide dinuclear complexes constructed from mixed oxygen-donor ligands: the effect of substituent positions of the neutral ligand on the magnetic dynamics in Dy analogues.","Dalton transactions (Cambridge, England : 2003)","2016","45","11","4614","4621","10.1039/c5dt04850h","","","0.71073","MoKα","","0.0377","0.0243","","","0.0596","0.0662","","","","","","1.027","","","","has coordinates","181697","2020-10-21","18:00:00",""
"7038158","8.3145","0.0009","19.22","0.002","16.5395","0.0019","90","","95.583","0.001","90","","2630.6","0.5","296","2","296.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","[Gd(4-PNO)(BZA)3(H2O)], 12aug12i","","","- C27 H24 Gd N O8 -","- C27 H24 Gd N O8 -","- C108 H96 Gd4 N4 O32 -","4","1","","Zhu, Wen-Hua; Li, Shan; Gao, Chen; Xiong, Xia; Zhang, Yan; Liu, Li; Powell, Annie K.; Gao, Song","Lanthanide dinuclear complexes constructed from mixed oxygen-donor ligands: the effect of substituent positions of the neutral ligand on the magnetic dynamics in Dy analogues.","Dalton transactions (Cambridge, England : 2003)","2016","45","11","4614","4621","10.1039/c5dt04850h","","","0.71073","MoKα","","0.0448","0.0249","","","0.0551","0.0636","","","","","","1.02","","","","has coordinates","181697","2020-10-21","18:00:00",""
"7038159","8.2985","0.0007","19.2173","0.0016","16.5287","0.0014","90","","95.748","0.001","90","","2622.7","0.4","296","2","296.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","[Tb(4-PNO)(BZA)3(H2O)], 13jan10g","","","- C27 H24 N O8 Tb -","- C27 H24 N O8 Tb -","- C108 H96 N4 O32 Tb4 -","4","1","","Zhu, Wen-Hua; Li, Shan; Gao, Chen; Xiong, Xia; Zhang, Yan; Liu, Li; Powell, Annie K.; Gao, Song","Lanthanide dinuclear complexes constructed from mixed oxygen-donor ligands: the effect of substituent positions of the neutral ligand on the magnetic dynamics in Dy analogues.","Dalton transactions (Cambridge, England : 2003)","2016","45","11","4614","4621","10.1039/c5dt04850h","","","0.71073","MoKα","","0.042","0.0249","","","0.0588","0.0661","","","","","","1.008","","","","has coordinates","181697","2020-10-21","18:00:00",""
"7038160","8.2869","0.0011","19.202","0.002","16.524","0.002","90","","95.771","0.002","90","","2616.1","0.5","296","2","296.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","[Dy(4-PNO)(BZA)3(H2O)], 12jun01f","","","- C27 H24 Dy N O8 -","- C27 H24 Dy N O8 -","- C108 H96 Dy4 N4 O32 -","4","1","","Zhu, Wen-Hua; Li, Shan; Gao, Chen; Xiong, Xia; Zhang, Yan; Liu, Li; Powell, Annie K.; Gao, Song","Lanthanide dinuclear complexes constructed from mixed oxygen-donor ligands: the effect of substituent positions of the neutral ligand on the magnetic dynamics in Dy analogues.","Dalton transactions (Cambridge, England : 2003)","2016","45","11","4614","4621","10.1039/c5dt04850h","","","0.71073","MoKα","","0.0518","0.0285","","","0.0658","0.0752","","","","","","1.032","","","","has coordinates","181697","2020-10-21","18:00:00",""
"7038161","8.247","0.0007","19.1819","0.0017","16.5347","0.0015","90","","95.796","0.002","90","","2602.3","0.4","296","2","296.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","[Er(4-PNO)(BZA)3(H2O)], 12nov24h","","","- C27 H24 Er N O8 -","- C27 H24 Er N O8 -","- C108 H96 Er4 N4 O32 -","4","1","","Zhu, Wen-Hua; Li, Shan; Gao, Chen; Xiong, Xia; Zhang, Yan; Liu, Li; Powell, Annie K.; Gao, Song","Lanthanide dinuclear complexes constructed from mixed oxygen-donor ligands: the effect of substituent positions of the neutral ligand on the magnetic dynamics in Dy analogues.","Dalton transactions (Cambridge, England : 2003)","2016","45","11","4614","4621","10.1039/c5dt04850h","","","0.71073","MoKα","","0.042","0.0261","","","0.0613","0.0692","","","","","","1.006","","","","has coordinates","181697","2020-10-21","18:00:00",""
"7038162","8.2543","0.0015","19.167","0.003","16.536","0.003","90","","95.64","0.002","90","","2603.5","0.8","296","2","296.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","[Y(4-PNO)(BZA)3(H2O)], 12aug04i","","","- C27 H24 N O8 Y -","- C27 H24 N O8 Y -","- C108 H96 N4 O32 Y4 -","4","1","","Zhu, Wen-Hua; Li, Shan; Gao, Chen; Xiong, Xia; Zhang, Yan; Liu, Li; Powell, Annie K.; Gao, Song","Lanthanide dinuclear complexes constructed from mixed oxygen-donor ligands: the effect of substituent positions of the neutral ligand on the magnetic dynamics in Dy analogues.","Dalton transactions (Cambridge, England : 2003)","2016","45","11","4614","4621","10.1039/c5dt04850h","","","0.71073","MoKα","","0.0938","0.0432","","","0.0912","0.106","","","","","","0.982","","","","has coordinates","181697","2020-10-21","18:00:00",""
"7038163","33.453","0.005","33.453","0.005","33.453","0.005","90","","90","","90","","37437","10","296","2","296","2","","","","","","","","6","F m -3 m","-F 4 2 3","225","","","","- C171 H263 Cl6 N29 O119 V30 -","- C96 H48 Cl6 O102 V30 -","- C384 H192 Cl24 O408 V120 -","4","0.0208333","","Zhang, Yu-Teng; Wang, Xin-Long; Zhou, En-Long; Wu, Xue-Song; Song, Bai-Qiao; Shao, Kui-Zhan; Su, Zhong-Min","Polyoxovanadate-based organic-inorganic hybrids: from {V5O9Cl} clusters to nanosized octahedral cages.","Dalton transactions (Cambridge, England : 2003)","2016","45","9","3698","3701","10.1039/c5dt04764a","","","0.71069","MoKα","","0.0725","0.0536","","","0.2187","0.247","","","","","","1.015","","","","has coordinates","177863","2020-10-21","18:00:00",""
"7038164","33.394","0.005","33.394","0.005","33.394","0.005","90","","90","","90","","37240","10","298","2","298","2","","","","","","","","6","F m -3 m","-F 4 2 3","225","","","","- C162 H254 Cl6 N38 O116 V30 -","- C96 Cl6 N12 O102 V30 -","- C384 Cl24 N48 O408 V120 -","4","0.0208333","","Zhang, Yu-Teng; Wang, Xin-Long; Zhou, En-Long; Wu, Xue-Song; Song, Bai-Qiao; Shao, Kui-Zhan; Su, Zhong-Min","Polyoxovanadate-based organic-inorganic hybrids: from {V5O9Cl} clusters to nanosized octahedral cages.","Dalton transactions (Cambridge, England : 2003)","2016","45","9","3698","3701","10.1039/c5dt04764a","","","0.71069","MoKα","","0.1152","0.0779","","","0.2671","0.3168","","","","","","1.002","","","","has coordinates,has disorder","177863","2020-10-21","18:00:00",""
"7038165","33.331","0.005","33.331","0.005","33.331","0.005","90","","90","","90","","37029","10","293","2","293","2","","","","","","","","7","F m -3 m","-F 4 2 3","225","","","","- C144 H188 Br12 Cl6 N20 O110 V30 -","- C96 Br12 Cl6 O102 V30 -","- C384 Br48 Cl24 O408 V120 -","4","0.0208333","","Zhang, Yu-Teng; Wang, Xin-Long; Zhou, En-Long; Wu, Xue-Song; Song, Bai-Qiao; Shao, Kui-Zhan; Su, Zhong-Min","Polyoxovanadate-based organic-inorganic hybrids: from {V5O9Cl} clusters to nanosized octahedral cages.","Dalton transactions (Cambridge, England : 2003)","2016","45","9","3698","3701","10.1039/c5dt04764a","","","0.71069","MoKα","","0.113","0.0893","","","0.3045","0.3363","","","","","","1.057","","","","has coordinates,has disorder","177863","2020-10-21","18:00:00",""
"7038166","8.2408","0.0013","12.5927","0.0019","23.083","0.004","90","","90","","90","","2395.4","0.7","173","2","173","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C19 H33 Cl3 N Rh S2 -","- C19 H33 Cl3 N Rh S2 -","- C76 H132 Cl12 N4 Rh4 S8 -","4","1","","Bottorff, Shalina C.; Powell, Ashton S.; Barnes, Charles L.; Wherland, Scot; Benny, Paul D.","Recovery of rhodium with a novel soft donor ligand using solvent extraction techniques in chloride media.","Dalton transactions (Cambridge, England : 2003)","2016","45","8","3264","3267","10.1039/c5dt04876a","","","0.71073","MoKα","","0.0268","0.0245","","","0.0567","0.0578","","","","","","1.029","","","","has coordinates,has disorder","177842","2020-10-21","18:00:00",""
"7038167","43.7247","0.0005","12.93615","0.00017","8.49651","0.00012","90","","94.3334","0.0012","90","","4792.14","0.11","200","","200","","","","","","","","","4","P 1 2/c 1","-P 2yc","13","","complex-Pr","","- C36 H36 O12 Pr -","- C36 H36 O12.002 Pr -","- C144 H144 O48.008 Pr4 -","4","1","","Liu, Xiaobin; Lin, Huan; Xiao, Zhenyu; Fan, Weidong; Huang, Ao; Wang, Rongming; Zhang, Liangliang; Sun, Daofeng","Multifunctional lanthanide-organic frameworks for fluorescent sensing, gas separation and catalysis.","Dalton transactions (Cambridge, England : 2003)","2016","45","9","3743","3749","10.1039/c5dt04339e","","","0.71","MoKα","","0.0727","0.0694","","","0.1844","0.1866","","","","","","1.053","","","","has coordinates,has disorder","177866","2020-10-21","18:00:00",""
"7038168","8.7719","0.0003","20.0756","0.0005","20.1325","0.0005","72.939","0.002","85.154","0.002","80.362","0.002","3339.14","0.17","295","","295","","","","","","","","","4","P -1","-P 1","2","","","","- C54 H46 Eu O14 -","- C54 H46 Eu O14 -","- C108 H92 Eu2 O28 -","2","1","","Liu, Xiaobin; Lin, Huan; Xiao, Zhenyu; Fan, Weidong; Huang, Ao; Wang, Rongming; Zhang, Liangliang; Sun, Daofeng","Multifunctional lanthanide-organic frameworks for fluorescent sensing, gas separation and catalysis.","Dalton transactions (Cambridge, England : 2003)","2016","45","9","3743","3749","10.1039/c5dt04339e","","","0.71","MoKα","","0.0822","0.065","","","0.1949","0.2074","","","","","","1.076","","","","has coordinates","177866","2020-10-21","18:00:00",""
"7038169","8.9505","0.0007","9.6294","0.0009","31.735","0.003","90","","90","","90","","2735.2","0.4","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C24 H44 Fe P2 Si2 -","- C24 H44 Fe P2 Si2 -","- C96 H176 Fe4 P8 Si8 -","4","1","","Kargin, Denis; Kelemen, Zsolt; Krekić, Kristijan; Maurer, Martin; Bruhn, Clemens; Nyulászi, László; Pietschnig, Rudolf","[3]Ferrocenophanes with the bisphosphanotetryl bridge: inorganic rings on the way to tetrylenes.","Dalton transactions (Cambridge, England : 2003)","2016","45","5","2180","2189","10.1039/c5dt03107a","","","0.71073","MoKα","","0.0337","0.0271","","","0.0579","0.0598","","","","","","0.975","","","","has coordinates","175213","2020-10-21","18:00:00",""
"7038170","13.067","0.005","13.067","0.005","24.283","0.005","90","0.005","90","0.005","120","0.005","3591","2","293","2","293","2","","","","","","","","7","P 63/m c m","-P 6c 2","193","","","","- C24 H56 Cl2 K7 N6 O46 Ti6 -","- C24 H55.96 Cl1.98 K7 N6 O46 Ti6 -","- C48 H111.92 Cl3.96 K14 N12 O92 Ti12 -","2","0.0833333","","Ni, Lubin; Liang, Dashuai; Cai, Yin; Diao, Guowang; Zhou, Zhaohui","A novel hexanuclear titanium(iv)-oxo-iminodiacetate cluster with a Ti6O9 core: single-crystal structure and photocatalytic activities.","Dalton transactions (Cambridge, England : 2003)","2016","45","18","7581","7588","10.1039/c6dt00031b","","","0.71069","MoKα","","0.0579","0.0521","","","0.1579","0.1666","","","","","","1.087","","","","has coordinates","182677","2020-10-21","18:00:00",""
"7038171","6.581","0.004","21.895","0.012","16.904","0.009","90","","91.65","0.008","90","","2435","2","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C12 H27 F6 O6 P3 S2 -","- C12 H27 F6 O6 P3 S2 -","- C48 H108 F24 O24 P12 S8 -","4","1","","Gray, Paul A.; Carpenter, Yuen-Ying; Burford, Neil; McDonald, Robert","2-Phosphino-1,3-diphosphonium ions.","Dalton transactions (Cambridge, England : 2003)","2016","45","5","2124","2129","10.1039/c5dt03116h","","","0.71073","MoKα","","0.0914","0.0524","","","0.0924","0.1061","","","","","","1.093","","","","has coordinates","175215","2020-10-21","18:00:00",""
"7038172","11.9037","0.0006","13.9854","0.0007","24.2752","0.0011","90","","104.151","0.0005","90","","3918.6","0.3","173","2","173","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C14 H32 F6 N O6 P3 S2 -","- C14 H32 F6 N O6 P3 S2 -","- C84 H192 F36 N6 O36 P18 S12 -","6","3","","Gray, Paul A.; Carpenter, Yuen-Ying; Burford, Neil; McDonald, Robert","2-Phosphino-1,3-diphosphonium ions.","Dalton transactions (Cambridge, England : 2003)","2016","45","5","2124","2129","10.1039/c5dt03116h","","","0.71073","MoKα","","0.0325","0.0312","","","0.0825","0.0837","","","","","","1.012","","","","has coordinates","175215","2020-10-21","18:00:00",""
"7038173","16.7757","0.0019","22.426","0.003","6.3922","0.0007","90","","90","","90","","2404.8","0.5","173","2","173","2","","","","","","","","6","P b a 2","P 2 -2ab","32","","","","- C14 H29 F6 O6 P3 S2 -","- C14 H29 F6 O6 P3 S2 -","- C56 H116 F24 O24 P12 S8 -","4","1","","Gray, Paul A.; Carpenter, Yuen-Ying; Burford, Neil; McDonald, Robert","2-Phosphino-1,3-diphosphonium ions.","Dalton transactions (Cambridge, England : 2003)","2016","45","5","2124","2129","10.1039/c5dt03116h","","","0.71073","MoKα","","0.0236","0.0234","","","0.0617","0.0619","","","","","","1.047","","","","has coordinates","175215","2020-10-21","18:00:00",""
"7038174","13.2969","0.0019","11.435","0.0017","13.956","0.002","90","","108.869","0.0016","90","","2008","0.5","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C9 H21 F6 O6 P3 S2 -","- C9 H21 F6 O6 P3 S2 -","- C36 H84 F24 O24 P12 S8 -","4","1","","Gray, Paul A.; Carpenter, Yuen-Ying; Burford, Neil; McDonald, Robert","2-Phosphino-1,3-diphosphonium ions.","Dalton transactions (Cambridge, England : 2003)","2016","45","5","2124","2129","10.1039/c5dt03116h","","","0.71073","MoKα","","0.0272","0.0253","","","0.0684","0.0699","","","","","","1.049","","","","has coordinates","175215","2020-10-21","18:00:00",""
"7038175","18.9052","0.0016","18.9052","0.0016","16.5315","0.0014","90","","90","","90","","5908.5","0.9","173","2","173","2","","","","","","","","7","P 42/n","-P 4bc","86","","","","- C100 H100 F12 Ir4 N12 O12 S4 -","- C100 H100 F12 Ir4 N12 O12 S4 -","- C200 H200 F24 Ir8 N24 O24 S8 -","2","","","Fan, Qi-Jia; Zhang, Wen-Ying; Lin, Yue-Jian; Jin, Guo-Xin","Construction of tetranuclear metallacycles based on half-sandwich Ir, Rh fragments and pyridyl-substituted ligands with different coordinate vectors.","Dalton transactions (Cambridge, England : 2003)","2016","45","11","4534","4540","10.1039/c6dt00171h","","","0.71073","MoKα","","0.155","0.0973","","","0.2622","0.3027","","","","","","0.977","","","","has coordinates,has disorder","181684","2020-10-21","18:00:00",""
"7038176","19.927","0.003","19.927","0.003","12.252","0.002","90","","90","","90","","4865.1","1.3","173","2","173","2","","","","","","","","7","P 42/n","-P 4bc","86","","","","- C84 H88 F12 N8 O16 Rh4 S4 -","- C84 H88 F12 N8 O16 Rh4 S4 -","- C168 H176 F24 N16 O32 Rh8 S8 -","2","","","Fan, Qi-Jia; Zhang, Wen-Ying; Lin, Yue-Jian; Jin, Guo-Xin","Construction of tetranuclear metallacycles based on half-sandwich Ir, Rh fragments and pyridyl-substituted ligands with different coordinate vectors.","Dalton transactions (Cambridge, England : 2003)","2016","45","11","4534","4540","10.1039/c6dt00171h","","","0.71073","MoKα","","0.156","0.0647","","","0.1512","0.1845","","","","","","0.903","","","","has coordinates","181684","2020-10-21","18:00:00",""
"7038177","20.111","0.002","20.111","0.002","12.1229","0.0019","90","","90","","90","","4903.1","1","173","2","173","2","","","","","","","","7","P 42/n","-P 4bc","86","","","","- C76 H104 F12 Ir4 N12 O20 S4 -","- C68 H82 F12 Ir4 N12 O17 S4 -","- C136 H164 F24 Ir8 N24 O34 S8 -","2","","","Fan, Qi-Jia; Zhang, Wen-Ying; Lin, Yue-Jian; Jin, Guo-Xin","Construction of tetranuclear metallacycles based on half-sandwich Ir, Rh fragments and pyridyl-substituted ligands with different coordinate vectors.","Dalton transactions (Cambridge, England : 2003)","2016","45","11","4534","4540","10.1039/c6dt00171h","","","0.71073","MoKα","","0.0986","0.0531","","","0.142","0.1589","","","","","","0.941","","","","has coordinates,has disorder","181684","2020-10-21","18:00:00",""
"7038178","20.036","0.003","20.036","0.003","12.234","0.002","90","","90","","90","","4911.2","1.3","173","2","173","2","","","","","","","","7","P 42/n","-P 4bc","86","","","","- C76 H92 F12 N12 O16 Rh4 S4 -","- C76 H92 F12 N12 O16 Rh4 S4 -","- C152 H184 F24 N24 O32 Rh8 S8 -","2","","","Fan, Qi-Jia; Zhang, Wen-Ying; Lin, Yue-Jian; Jin, Guo-Xin","Construction of tetranuclear metallacycles based on half-sandwich Ir, Rh fragments and pyridyl-substituted ligands with different coordinate vectors.","Dalton transactions (Cambridge, England : 2003)","2016","45","11","4534","4540","10.1039/c6dt00171h","","","0.71073","MoKα","","0.0869","0.0576","","","0.1611","0.1768","","","","","","1.037","","","","has coordinates","181684","2020-10-21","18:00:00",""
"7038179","18.8059","0.0003","18.8059","0.0003","37.6262","0.0015","90","","90","","120","","11524.2","0.5","293","2","293","2","","","","","","","","5","R -3 m :H","-R 3 2""","166","","","","- C20 H10 Cu2 N2 O10 -","- C20 H10 Cu2 N2 O10 -","- C180 H90 Cu18 N18 O90 -","9","0.25","","Song, Chengling; Jiao, Jingjing; Lin, Qiyi; Liu, Huimin; He, Yabing","C2H2 adsorption in three isostructural metal-organic frameworks: boosting C2H2 uptake by rational arrangement of nitrogen sites.","Dalton transactions (Cambridge, England : 2003)","2016","45","11","4563","4569","10.1039/c5dt04943a","","","0.71073","MoKα","","0.0962","0.0787","","","0.2415","0.2567","","","","","","1.088","","","","has coordinates,has disorder","181692","2020-10-21","18:00:00",""
"7038180","18.657","0.0001","18.657","0.0001","38.0533","0.0006","90","","90","","120","","11471.1","0.2","296","2","296","2","","","","","","","","5","R -3 m :H","-R 3 2""","166","","","","- C10 H5 Cu N O5 -","- C10 H5 Cu N O5 -","- C180 H90 Cu18 N18 O90 -","18","0.5","","Song, Chengling; Jiao, Jingjing; Lin, Qiyi; Liu, Huimin; He, Yabing","C2H2 adsorption in three isostructural metal-organic frameworks: boosting C2H2 uptake by rational arrangement of nitrogen sites.","Dalton transactions (Cambridge, England : 2003)","2016","45","11","4563","4569","10.1039/c5dt04943a","","","0.71073","MoKα","","0.036","0.031","","","0.0981","0.0992","","","","","","1.066","","","","has coordinates,has disorder","181692","2020-10-21","18:00:00",""
"7038181","17.1568","0.0003","16.1673","0.0003","39.3558","0.0007","90","","99.8057","0.0016","90","","10757","0.3","120","2","120","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C61 H74 Br2 N4 Ni2 -","- C61 H74 Br2 N4 Ni2 -","- C488 H592 Br16 N32 Ni16 -","8","2","","Banach, Ł; Guńka, P A; Buchowicz, W.","Half-sandwich nickel complexes with ring-expanded NHC ligands - synthesis, structure and catalytic activity in Kumada-Tamao-Corriu coupling.","Dalton transactions (Cambridge, England : 2003)","2016","45","21","8688","8692","10.1039/c5dt04663g","","x-ray","0.71073","MoKα","","0.0649","0.04","","","0.0799","0.0896","","","","","","1.028","","","","has coordinates","185443","2020-10-21","18:00:00",""
"7038182","9.2271","0.0002","8.5949","0.00014","37.9495","0.0006","90","","93.5925","0.0018","90","","3003.71","0.09","120","2","120","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C35 H43 Br N2 Ni -","- C35 H43 Br N2 Ni -","- C140 H172 Br4 N8 Ni4 -","4","1","","Banach, Ł; Guńka, P A; Buchowicz, W.","Half-sandwich nickel complexes with ring-expanded NHC ligands - synthesis, structure and catalytic activity in Kumada-Tamao-Corriu coupling.","Dalton transactions (Cambridge, England : 2003)","2016","45","21","8688","8692","10.1039/c5dt04663g","","x-ray","0.71073","MoKα","","0.0472","0.0349","","","0.0749","0.0795","","","","","","1.044","","","","has coordinates","185443","2020-10-21","18:00:00",""
"7038183","12.6839","0.0005","18.2498","0.0004","14.5659","0.0004","90","","112.894","0.004","90","","3106.09","0.19","120.02","0.1","120","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C36 H45 Br N2 Ni -","- C36 H45 Br N2 Ni -","- C144 H180 Br4 N8 Ni4 -","4","1","","Banach, Ł; Guńka, P A; Buchowicz, W.","Half-sandwich nickel complexes with ring-expanded NHC ligands - synthesis, structure and catalytic activity in Kumada-Tamao-Corriu coupling.","Dalton transactions (Cambridge, England : 2003)","2016","45","21","8688","8692","10.1039/c5dt04663g","","x-ray","0.71073","MoKα","","0.0512","0.0362","","","0.0839","0.0931","","","","","","1.048","","","","has coordinates","185443","2020-10-21","18:00:00",""
"7038184","23.5535","0.0017","19.3587","0.0014","20.976","0.0015","90","","90","","90","","9564.3","1.2","113","2","113","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C180 H188 Br20 N8 O11 -","- C183.6 H188 Br20 N8 O11.6 -","- C367.2 H376 Br40 N16 O23.2 -","2","0.25","","Webre, Whitney A.; Hill, Jonathan P.; Matsushita, Yoshitaka; Karr, Paul A.; Ariga, Katsuhiko; D'Souza, Francis","Anion binding, electrochemistry and solvatochromism of β-brominated oxoporphyrinogens.","Dalton transactions (Cambridge, England : 2003)","2016","45","9","4006","4016","10.1039/c5dt04258e","","","0.710747","MoKα","","0.101","0.0726","","","0.2056","0.2368","","","","","","1.056","","","","has coordinates","177862","2020-10-21","18:00:00",""
"7038185","18.4957","0.0002","18.0877","0.0001","19.1324","0.0002","90","","90","","90","","6400.64","0.1","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C27 H35 I3 N7 Rh -","- C27 H35 I3 N7 Rh -","- C216 H280 I24 N56 Rh8 -","8","1","","Farrell, Kevin; Melle, Philipp; Gossage, Robert A.; Müller-Bunz, Helge; Albrecht, Martin","Transfer hydrogenation with abnormal dicarbene rhodium(iii) complexes containing ancillary and modular poly-pyridine ligands.","Dalton transactions (Cambridge, England : 2003)","2016","45","11","4570","4579","10.1039/c5dt04656d","","","0.71073","MoKα","","0.0328","0.0242","","","0.053","0.0581","","","","","","1.127","","","","has coordinates,has disorder","181701","2020-10-21","18:00:00",""
"7038186","11.0304","0.0003","13.3992","0.0004","14.0098","0.0004","85.577","0.003","78","0.003","80.837","0.003","1997.46","0.1","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C32 H39 Cl4 I3 N7 Rh -","- C30 H35 I3 N7 Rh -","- C60 H70 I6 N14 Rh2 -","2","1","","Farrell, Kevin; Melle, Philipp; Gossage, Robert A.; Müller-Bunz, Helge; Albrecht, Martin","Transfer hydrogenation with abnormal dicarbene rhodium(iii) complexes containing ancillary and modular poly-pyridine ligands.","Dalton transactions (Cambridge, England : 2003)","2016","45","11","4570","4579","10.1039/c5dt04656d","","","1.54184","CuKα","","0.0491","0.0473","","","0.1282","0.1296","","","","","","1.031","","","","has coordinates,has disorder","181701","2020-10-21","18:00:00",""
"7038187","11.0534","0.0001","33.3241","0.0003","10.6127","0.0001","90","","108.238","0.001","90","","3712.75","0.06","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C28 H38 Cl2 I3 N6 Rh -","- C28 H38 Cl2 I3 N6 Rh -","- C112 H152 Cl8 I12 N24 Rh4 -","4","1","","Farrell, Kevin; Melle, Philipp; Gossage, Robert A.; Müller-Bunz, Helge; Albrecht, Martin","Transfer hydrogenation with abnormal dicarbene rhodium(iii) complexes containing ancillary and modular poly-pyridine ligands.","Dalton transactions (Cambridge, England : 2003)","2016","45","11","4570","4579","10.1039/c5dt04656d","","","1.54184","CuKα","","0.0452","0.042","","","0.112","0.115","","","","","","1.058","","","","has coordinates,has disorder","181701","2020-10-21","18:00:00",""
"7038188","7.804","0.0006","22.16","0.002","27.06","0.003","90","","90","","90","","4679.7","0.8","298","2","298","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C25 H25 Cd N3 O6 -","- C25 H25 Cd N3 O6 -","- C200 H200 Cd8 N24 O48 -","8","1","","Jiang, Peng Gang; Zhang, Pan; Gong, Yun; Lin, Jian Hua","Photocurrent-generating properties of bulk and few-layered Cd(ii) coordination polymers based on a rigid dicarboxylate ligand.","Dalton transactions (Cambridge, England : 2003)","2016","45","11","4603","4613","10.1039/c6dt00271d","","","0.71073","MoKα","","0.1682","0.0923","","","0.2187","0.266","","","","","","0.941","","","","has coordinates","181702","2020-10-21","18:00:00",""
"7038189","11.8325","0.0011","14.5026","0.0013","21.1003","0.0019","90","","100.648","0.002","90","","3558.5","0.6","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C69 H61 Cd3 N7 O16 -","- C69 H61 Cd3 N7 O16 -","- C138 H122 Cd6 N14 O32 -","2","0.5","","Jiang, Peng Gang; Zhang, Pan; Gong, Yun; Lin, Jian Hua","Photocurrent-generating properties of bulk and few-layered Cd(ii) coordination polymers based on a rigid dicarboxylate ligand.","Dalton transactions (Cambridge, England : 2003)","2016","45","11","4603","4613","10.1039/c6dt00271d","","","0.71073","MoKα","","0.1706","0.0942","","","0.2514","0.2935","","","","","","0.962","","","","has coordinates,has disorder","181702","2020-10-21","18:00:00",""
"7038190","9.12907","0.00018","9.7204","0.00017","11.56823","0.00016","80.5397","0.0013","70.157","0.0015","77.6372","0.0016","938.5","0.03","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C24 H18 Fe O4 -","- C24 H18 Fe O4 -","- C48 H36 Fe2 O8 -","2","1","","Hodgkinson, Roy; Del Grosso, Alessandro; Clarkson, Guy; Wills, Martin","Iron cyclopentadienone complexes derived from C2-symmetric bis-propargylic alcohols; preparation and applications to catalysis.","Dalton transactions (Cambridge, England : 2003)","2016","45","9","3992","4005","10.1039/c5dt04610f","","x-ray","0.71073","MoKα","","0.0401","0.0317","","","0.0973","0.1148","","","","","","1.294","","","","has coordinates","177867","2020-10-21","18:00:00",""
"7038191","10.35105","0.00007","19.11058","0.00014","24.09731","0.00016","90","","90","","90","","4766.8","0.06","150","2","150","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C59 H48 Fe N O7 P -","- C59 H48 Fe N O7 P -","- C236 H192 Fe4 N4 O28 P4 -","4","1","","Hodgkinson, Roy; Del Grosso, Alessandro; Clarkson, Guy; Wills, Martin","Iron cyclopentadienone complexes derived from C2-symmetric bis-propargylic alcohols; preparation and applications to catalysis.","Dalton transactions (Cambridge, England : 2003)","2016","45","9","3992","4005","10.1039/c5dt04610f","","x-ray","1.54184","CuKα","","0.039","0.0361","","","0.0977","0.1006","","","","","","1.043","","","","has coordinates","177867","2020-10-21","18:00:00",""
"7038192","8.9958","0.0005","22.5355","0.0009","23.3422","0.0015","90","","99.763","0.006","90","","4663.5","0.4","150","2","150","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C59 H48 Fe N O7 P -","- C59 H48 Fe N O7 P -","- C236 H192 Fe4 N4 O28 P4 -","4","2","","Hodgkinson, Roy; Del Grosso, Alessandro; Clarkson, Guy; Wills, Martin","Iron cyclopentadienone complexes derived from C2-symmetric bis-propargylic alcohols; preparation and applications to catalysis.","Dalton transactions (Cambridge, England : 2003)","2016","45","9","3992","4005","10.1039/c5dt04610f","","x-ray","1.54184","CuKα","","0.0962","0.0634","","","0.1614","0.1964","","","","","","1.008","","","","has coordinates","177867","2020-10-21","18:00:00",""
"7038193","10.1739","0.0004","23.3587","0.001","23.0472","0.0009","90","","94.069","0.002","90","","5463.3","0.4","100","2","100","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C52 H59 Cl7 F6 N2 O P2 Ru -","- C52 H59 Cl7 F6 N2 O P2 Ru -","- C208 H236 Cl28 F24 N8 O4 P8 Ru4 -","4","1","","Endo, Koji; Grubbs, Robert H.","Cationic ruthenium alkylidene catalysts bearing phosphine ligands.","Dalton transactions (Cambridge, England : 2003)","2016","45","8","3627","3634","10.1039/c5dt04506a","","","0.71073","MoKα","","0.0534","0.0387","","","0.0585","0.0593","","","","","","1.878","","","","has coordinates","211332","2020-10-21","18:00:00",""
"7038194","21.3078","0.0011","21.3078","0.0011","8.7689","0.0003","90","","90","","120","","3447.9","0.3","150","2","150","2","","","","","","","","5","P 32 2 1","P 32 2""","154","","","","- C42.5 H72 Mo2 O4 P4 -","- C42.5 H72 Mo2 O4 P4 -","- C127.5 H216 Mo6 O12 P12 -","3","0.5","","Grubba, Rafał; Zauliczny, Mateusz; Ponikiewski, Łukasz; Pikies, Jerzy","The reactivity of 1,1-dichloro-2,2-di-tert-butyldiphosphane towards lithiated metal carbonyls: a new entry to phosphanylphosphinidene dimers.","Dalton transactions (Cambridge, England : 2003)","2016","45","12","4961","4964","10.1039/c5dt04983k","","","0.71073","MoKα","","0.0213","0.0205","","","0.0491","0.0495","","","","","","1.107","","","","has coordinates,has disorder","181675","2020-10-21","18:00:00",""
"7038195","21.4329","0.0008","21.4329","0.0008","8.837","0.0003","90","","90","","120","","3515.6","0.2","150","2","150","2","","","","","","","","5","P 32 2 1","P 32 2""","154","","","","- C40 H66 O4 P4 W2 -","- C40 H66 O4 P4 W2 -","- C120 H198 O12 P12 W6 -","3","0.5","","Grubba, Rafał; Zauliczny, Mateusz; Ponikiewski, Łukasz; Pikies, Jerzy","The reactivity of 1,1-dichloro-2,2-di-tert-butyldiphosphane towards lithiated metal carbonyls: a new entry to phosphanylphosphinidene dimers.","Dalton transactions (Cambridge, England : 2003)","2016","45","12","4961","4964","10.1039/c5dt04983k","","","0.71073","MoKα","","0.0453","0.0403","","","0.0903","0.094","","","","","","1.056","","","","has coordinates","181675","2020-10-21","18:00:00",""
"7038196","6.8023","0.0018","8.1638","0.0018","14.697","0.003","102.766","0.017","94.08","0.019","113.988","0.019","715.3","0.3","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C13 H15 Cl Mo O3 -","- C13 H15 Cl Mo O3 -","- C26 H30 Cl2 Mo2 O6 -","2","1","","Grubba, Rafał; Zauliczny, Mateusz; Ponikiewski, Łukasz; Pikies, Jerzy","The reactivity of 1,1-dichloro-2,2-di-tert-butyldiphosphane towards lithiated metal carbonyls: a new entry to phosphanylphosphinidene dimers.","Dalton transactions (Cambridge, England : 2003)","2016","45","12","4961","4964","10.1039/c5dt04983k","","","0.71073","MoKα","","0.0546","0.0422","","","0.1037","0.1087","","","","","","1","","","","has coordinates","181675","2020-10-21","18:00:00",""
"7038197","15.512","0.005","16.476","0.005","19.316","0.006","90","","96.487","0.004","90","","4905","3","153.1","","153","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C45 H42 Cl3 F6 Ir2 O3 P5 -","- C45 H40 Cl3 F6 Ir2 O3 P5 -","- C180 H160 Cl12 F24 Ir8 O12 P20 -","4","1","","Nakajima, Takayuki; Noda, Sayo; Sakamoto, Miyuki; Matsui, Aya; Nakamae, Kanako; Kure, Bunsho; Ura, Yasuyuki; Tanase, Tomoaki","Oxidative addition of an aromatic ortho C-H bond of tetraphosphine to asymmetric diiridium(i) centres.","Dalton transactions (Cambridge, England : 2003)","2016","45","11","4747","4761","10.1039/c5dt04725k","","","0.71075","MoKα","","","0.0325","","","","0.0808","","","","","","1.045","","","","has coordinates","181706","2020-10-21","18:00:00",""
"7038198","12.196","0.003","17.953","0.005","19.765","0.005","99.843","0.002","96.204","0.003","100.923","0.003","4142.3","1.9","153.1","","153","2","","","","","","","","7","P -1","-P 1","2","","","","- C78.5 H79 Cl3 F12 Ir2 N4 P6 -","- C78.5 H76 Cl3 F12 Ir2 N4 P6 -","- C157 H152 Cl6 F24 Ir4 N8 P12 -","2","1","","Nakajima, Takayuki; Noda, Sayo; Sakamoto, Miyuki; Matsui, Aya; Nakamae, Kanako; Kure, Bunsho; Ura, Yasuyuki; Tanase, Tomoaki","Oxidative addition of an aromatic ortho C-H bond of tetraphosphine to asymmetric diiridium(i) centres.","Dalton transactions (Cambridge, England : 2003)","2016","45","11","4747","4761","10.1039/c5dt04725k","","","0.71075","MoKα","","","0.0366","","","","0.0998","","","","","","1.011","","","","has coordinates","181706","2020-10-21","18:00:00",""
"7038199","12.1032","0.0015","20.671","0.003","34.721","0.004","90","","95.92","0.002","90","","8640.4","1.9","153","","153","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C81 H84 F12 Ir2 N4 P6 -","- C81 H84 F12 Ir2 N4 P6 -","- C324 H336 F48 Ir8 N16 P24 -","4","1","","Nakajima, Takayuki; Noda, Sayo; Sakamoto, Miyuki; Matsui, Aya; Nakamae, Kanako; Kure, Bunsho; Ura, Yasuyuki; Tanase, Tomoaki","Oxidative addition of an aromatic ortho C-H bond of tetraphosphine to asymmetric diiridium(i) centres.","Dalton transactions (Cambridge, England : 2003)","2016","45","11","4747","4761","10.1039/c5dt04725k","","","0.71075","MoKα","","0.0868","0.0681","","","0.1815","0.2017","","","","","","1.086","","","","has coordinates","181706","2020-10-21","18:00:00",""
"7038200","13.058","0.003","18.478","0.004","28.214","0.006","90","","90","","90","","6808","3","153","","153","","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C63 H83 F12 Ir N2 O3 P6 -","- C63 H83 F12 Ir N2 O3 P6 -","- C252 H332 F48 Ir4 N8 O12 P24 -","4","1","","Nakajima, Takayuki; Noda, Sayo; Sakamoto, Miyuki; Matsui, Aya; Nakamae, Kanako; Kure, Bunsho; Ura, Yasuyuki; Tanase, Tomoaki","Oxidative addition of an aromatic ortho C-H bond of tetraphosphine to asymmetric diiridium(i) centres.","Dalton transactions (Cambridge, England : 2003)","2016","45","11","4747","4761","10.1039/c5dt04725k","","","0.71075","MoKα","","","0.0657","","","","0.1803","","","","","","1.106","","","","has coordinates","181706","2020-10-21","18:00:00",""
"7038201","12.672","0.002","16.834","0.003","20.346","0.004","75.827","0.01","74.185","0.01","75.401","0.011","3968.1","1.3","153","","153","","","","","","","","","6","P -1","-P 1","2","","","","- C76 H79 F12 Ir2 N3 P6 -","- C76 H79 F12 Ir2 N3 P6 -","- C152 H158 F24 Ir4 N6 P12 -","2","1","","Nakajima, Takayuki; Noda, Sayo; Sakamoto, Miyuki; Matsui, Aya; Nakamae, Kanako; Kure, Bunsho; Ura, Yasuyuki; Tanase, Tomoaki","Oxidative addition of an aromatic ortho C-H bond of tetraphosphine to asymmetric diiridium(i) centres.","Dalton transactions (Cambridge, England : 2003)","2016","45","11","4747","4761","10.1039/c5dt04725k","","","0.71075","MoKα","","0.068","0.0521","","","0.1262","0.1389","","","","","","1.106","","","","has coordinates","181706","2020-10-21","18:00:00",""
"7038202","13.7832","0.0017","14.612","0.002","21.817","0.003","81.004","0.006","74.071","0.005","81.207","0.006","4145.2","1","153","","153","","","","","","","","","8","P -1","-P 1","2","","","","- C79.5 H85 Cl F12 Ir2 N4 O2 P6 -","- C79.5 H85 Cl F12 Ir2 N4 O2 P6 -","- C159 H170 Cl2 F24 Ir4 N8 O4 P12 -","2","1","","Nakajima, Takayuki; Noda, Sayo; Sakamoto, Miyuki; Matsui, Aya; Nakamae, Kanako; Kure, Bunsho; Ura, Yasuyuki; Tanase, Tomoaki","Oxidative addition of an aromatic ortho C-H bond of tetraphosphine to asymmetric diiridium(i) centres.","Dalton transactions (Cambridge, England : 2003)","2016","45","11","4747","4761","10.1039/c5dt04725k","","","0.71075","MoKα","","0.0679","0.057","","","0.1624","0.1774","","","","","","1.081","","","","has coordinates","181706","2020-10-21","18:00:00",""
"7038203","12.621","0.003","14.45","0.003","14.58","0.003","67.321","0.008","85.71","0.008","88.282","0.009","2446.5","0.9","153","2","153","2","","","","","","","","7","P -1","-P 1","2","","","","- C46 H42 Cl3 F6 Ir2 O4 P5 -","- C46 H42 Cl3 F6 Ir2 O4 P5 -","- C92 H84 Cl6 F12 Ir4 O8 P10 -","2","1","","Nakajima, Takayuki; Noda, Sayo; Sakamoto, Miyuki; Matsui, Aya; Nakamae, Kanako; Kure, Bunsho; Ura, Yasuyuki; Tanase, Tomoaki","Oxidative addition of an aromatic ortho C-H bond of tetraphosphine to asymmetric diiridium(i) centres.","Dalton transactions (Cambridge, England : 2003)","2016","45","11","4747","4761","10.1039/c5dt04725k","","","0.71075","MoKα","","","0.0389","","","","0.1048","","","","","","0.925","","","","has coordinates","181706","2020-10-21","18:00:00",""
"7038204","13.109","0.005","21.43","0.007","27.645","0.01","85.578","0.006","87.291","0.006","74.752","0.005","7468","5","296","2","296","2","","","","","","","","8","P -1","-P 1","2","Co4L4macrocycle","","","- C238 H268 Cl12 Co4 F24 N16 O20 P4 -","- C238 H268 Cl12 Co4 F24 N16 O20 P4 -","- C238 H268 Cl12 Co4 F24 N16 O20 P4 -","1","0.5","","Nishino, Toshio; Yamada, Yasuyuki; Akine, Shigehisa; Sugimoto, Kunihisa; Tanaka, Kentaro","Kinetically ""locked"" metallomacrocycle.","Dalton transactions (Cambridge, England : 2003)","2016","45","9","3831","3837","10.1039/c5dt04635a","","","0.689","","","0.2495","0.099","","","0.2382","0.2892","","","","","","1.147","","","","has coordinates,has disorder","177873","2020-10-21","18:00:00",""
"7038205","15.19","0.01","17.546","0.012","20.226","0.011","90","","90","","90","","5391","6","100","2","100","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C63 H62 B2 Cl4 N2 -","- C63 H62 B2 Cl4 N2 -","- C252 H248 B8 Cl16 N8 -","4","1","","Yusuf, Mayyadah; Liu, Kanglei; Guo, Fang; Lalancette, Roger A.; Jäkle, Frieder","Luminescent organoboron ladder compounds via directed electrophilic aromatic C-H borylation.","Dalton transactions (Cambridge, England : 2003)","2016","45","11","4580","4587","10.1039/c5dt05077d","","","1.54178","CuKα","","0.0811","0.0749","","","0.2023","0.2102","","","","","","1.069","","","","has coordinates","181698","2020-10-21","18:00:00",""
"7038206","17.8626","0.0006","9.9345","0.0003","30.455","0.001","90","","102.414","0.002","90","","5278.1","0.3","100","2","100","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C61 H42 B2 F20 N2 -","- C61 H42 B2 F20 N2 -","- C244 H168 B8 F80 N8 -","4","0.5","","Yusuf, Mayyadah; Liu, Kanglei; Guo, Fang; Lalancette, Roger A.; Jäkle, Frieder","Luminescent organoboron ladder compounds via directed electrophilic aromatic C-H borylation.","Dalton transactions (Cambridge, England : 2003)","2016","45","11","4580","4587","10.1039/c5dt05077d","","","1.54178","CuKα","","0.0624","0.0525","","","0.1372","0.1445","","","","","","1.077","","","","has coordinates","181698","2020-10-21","18:00:00",""
"7038207","20.7859","0.0013","8.8243","0.0006","42.787","0.003","90","","90","","90","","7848","0.9","296","2","296.15","","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C24 H41 I6 N4 Pb2 -","- C24 H41 I6 N4 Pb2 -","- C192 H328 I48 N32 Pb16 -","8","1","","Duan, Hai-Bao; Yu, Shan-Shan; Tong, Yuan-Bo; Zhou, Hong; Ren, Xiao-Ming","Two in one: switchable ion conductivity and white light emission integrated in an iodoplumbate-based twin chain hybrid crystal.","Dalton transactions (Cambridge, England : 2003)","2016","45","11","4810","4818","10.1039/c5dt04594k","","","0.71073","MoKα","","0.0908","0.0481","","","0.0947","0.1075","","","","","","1.058","","","","has coordinates","181683","2020-10-21","18:00:00",""
"7038208","21.089","0.003","8.9287","0.0011","42.348","0.005","90","","90","","90","","7974","1.8","393","2","393.15","","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C24 H42 I6 N4 Pb2 -","- C24 H42 I6 N4 Pb2 -","- C192 H336 I48 N32 Pb16 -","8","1","","Duan, Hai-Bao; Yu, Shan-Shan; Tong, Yuan-Bo; Zhou, Hong; Ren, Xiao-Ming","Two in one: switchable ion conductivity and white light emission integrated in an iodoplumbate-based twin chain hybrid crystal.","Dalton transactions (Cambridge, England : 2003)","2016","45","11","4810","4818","10.1039/c5dt04594k","","","0.71073","MoKα","","0.1912","0.0718","","","0.1446","0.1813","","","","","","1.006","","","","has coordinates","181683","2020-10-21","18:00:00",""
"7038209","8.9573","0.0017","14.924","0.003","15.212","0.003","84.535","0.005","86.831","0.005","89.177","0.005","2021.1","0.7","413","2","413.15","","","","","","","","","5","P -1","-P 1","2","","","","- C24 H42 I6 N4 Pb2 -","- C24 H42 I6 N4 Pb2 -","- C48 H84 I12 N8 Pb4 -","2","1","","Duan, Hai-Bao; Yu, Shan-Shan; Tong, Yuan-Bo; Zhou, Hong; Ren, Xiao-Ming","Two in one: switchable ion conductivity and white light emission integrated in an iodoplumbate-based twin chain hybrid crystal.","Dalton transactions (Cambridge, England : 2003)","2016","45","11","4810","4818","10.1039/c5dt04594k","","","0.71073","MoKα","","0.1836","0.082","","","0.1923","0.2239","","","","","","0.945","","","","has coordinates,has disorder","181683","2020-10-21","18:00:00",""
"7038210","8.1815","0.0016","10.46","0.002","19.705","0.004","90","","90","","90","","1686.3","0.6","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C19 H15 N2 Na O5 -","- C19 H15 N2 Na O5 -","- C76 H60 N8 Na4 O20 -","4","1","","Zhao, Hai-Qing; Yang, Shui-Ping; Ding, Ni-Ni; Qin, Liang; Qiu, Gui-Hua; Chen, Jin-Xiang; Zhang, Wen-Hua; Chen, Wen-Hua; Hor, T. S. Andy","A zwitterionic 1D/2D polymer co-crystal and its polymorphic sub-components: a highly selective sensing platform for HIV ds-DNA sequences.","Dalton transactions (Cambridge, England : 2003)","2016","45","12","5092","5100","10.1039/c5dt04410c","","","0.71073","MoKα","","0.0609","0.0492","","","0.1004","0.1047","","","","","","1.099","","","","has coordinates","181654","2020-10-21","18:00:00",""
"7038211","9.467","0.0009","11.0827","0.0011","12.4243","0.0012","72.103","0.002","82.451","0.002","66.433","0.002","1136.96","0.19","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C38 H50 Cu N4 O20 -","- C38 H50 Cu N4 O20 -","- C38 H50 Cu N4 O20 -","1","0.5","","Zhao, Hai-Qing; Yang, Shui-Ping; Ding, Ni-Ni; Qin, Liang; Qiu, Gui-Hua; Chen, Jin-Xiang; Zhang, Wen-Hua; Chen, Wen-Hua; Hor, T. S. Andy","A zwitterionic 1D/2D polymer co-crystal and its polymorphic sub-components: a highly selective sensing platform for HIV ds-DNA sequences.","Dalton transactions (Cambridge, England : 2003)","2016","45","12","5092","5100","10.1039/c5dt04410c","","","0.71073","MoKα","","0.0757","0.0585","","","0.1757","0.1901","","","","","","1.089","","","","has coordinates,has disorder","181654","2020-10-21","18:00:00",""
"7038212","9.038","0.003","38.492","0.014","13.702","0.005","90","","95.882","0.008","90","","4742","3","153","2","153","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C38 H26 Cu N4 O8 -","- C38 H26 Cu N4 O8 -","- C152 H104 Cu4 N16 O32 -","4","1","","Zhao, Hai-Qing; Yang, Shui-Ping; Ding, Ni-Ni; Qin, Liang; Qiu, Gui-Hua; Chen, Jin-Xiang; Zhang, Wen-Hua; Chen, Wen-Hua; Hor, T. S. Andy","A zwitterionic 1D/2D polymer co-crystal and its polymorphic sub-components: a highly selective sensing platform for HIV ds-DNA sequences.","Dalton transactions (Cambridge, England : 2003)","2016","45","12","5092","5100","10.1039/c5dt04410c","","","0.71073","MoKα","","0.1355","0.0893","","","0.2193","0.2432","","","","","","0.957","","","","has coordinates,has disorder","181654","2020-10-21","18:00:00",""
"7038213","9.0094","0.001","13.6583","0.0013","29.581","0.003","82.577","0.002","86.38","0.002","82.999","0.002","3578.5","0.6","123","2","123","2","","","","","","","","5","P -1","-P 1","2","","","","- C114 H78 Cu3 N12 O25 -","- C114 H78 Cu3 N12 O25 -","- C114 H78 Cu3 N12 O25 -","1","0.5","","Zhao, Hai-Qing; Yang, Shui-Ping; Ding, Ni-Ni; Qin, Liang; Qiu, Gui-Hua; Chen, Jin-Xiang; Zhang, Wen-Hua; Chen, Wen-Hua; Hor, T. S. Andy","A zwitterionic 1D/2D polymer co-crystal and its polymorphic sub-components: a highly selective sensing platform for HIV ds-DNA sequences.","Dalton transactions (Cambridge, England : 2003)","2016","45","12","5092","5100","10.1039/c5dt04410c","","","0.71073","MoKα","","0.1","0.079","","","0.2119","0.2225","","","","","","1.145","","","","has coordinates,has disorder","181654","2020-10-21","18:00:00",""
"7038214","13.8269","0.0007","17.9052","0.0009","15.9013","0.0011","90","","107.19","0.008","90","","3760.9","0.4","100","2","100","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","DAC-BCl-N(iPr)2-OTf","","","- C32 H44 B Cl3 F3 N3 O5 S -","- C32 H44 B Cl3 F3 N3 O5 S -","- C128 H176 B4 Cl12 F12 N12 O20 S4 -","4","1","","Ledet, Anthony D.; Hudnall, Todd W.","Reduction of a diamidocarbene-supported borenium cation: isolation of a neutral boryl-substituted radical and a carbene-stabilized aminoborylene.","Dalton transactions (Cambridge, England : 2003)","2016","45","24","9820","9826","10.1039/c6dt00300a","","","0.71075","MoKα","","0.0719","0.0539","","","0.132","0.143","","","","","","1.137","","","","has coordinates","185375","2020-10-21","18:00:00",""
"7038215","8.2331","0.0018","11.975","0.003","16.574","0.004","75.271","0.005","87.907","0.005","84.925","0.004","1574","0.6","100","2","100","2","","","","","","","","6","P -1","-P 1","2","DAC-BCl-N(iPr)2-radical","","","- C33 H45 B Cl N3 O2 -","- C33 H45 B Cl N3 O2 -","- C66 H90 B2 Cl2 N6 O4 -","2","1","","Ledet, Anthony D.; Hudnall, Todd W.","Reduction of a diamidocarbene-supported borenium cation: isolation of a neutral boryl-substituted radical and a carbene-stabilized aminoborylene.","Dalton transactions (Cambridge, England : 2003)","2016","45","24","9820","9826","10.1039/c6dt00300a","","","0.71073","MoKα","","0.0726","0.0592","","","0.1511","0.1619","","","","","","0.992","","","","has coordinates","185375","2020-10-21","18:00:00",""
"7038216","12.022","0.002","21.648","0.004","12.825","0.003","90","","90","","90","","3337.7","1.1","293","2","293","2","","","","","","","","7","P b c n","-P 2n 2ab","60","","","","- C20 H32 B2 F8 Fe N8 S4 -","- C20 H32 B2 F8 Fe N8 S4 -","- C80 H128 B8 F32 Fe4 N32 S16 -","4","0.5","","Stadelman, Bradley S.; Kimani, Martin M.; Bayse, Craig A.; McMillen, Colin D.; Brumaghim, Julia L.","Synthesis, characterization, DFT calculations, and electrochemical comparison of novel iron(ii) complexes with thione and selone ligands.","Dalton transactions (Cambridge, England : 2003)","2016","45","11","4697","4711","10.1039/c5dt03384e","","","0.71073","MoKα","","0.055","0.0481","","","0.1305","0.1417","","","","","","1.099","","","","has coordinates","181693","2020-10-21","18:00:00",""
"7038217","12.051","0.002","21.709","0.004","13.199","0.003","90","","90","","90","","3453.1","1.2","293","2","293","2","","","","","","","","7","P b c n","-P 2n 2ab","60","","","","- C20 H32 B2 F8 Fe N8 Se4 -","- C20 H32 B2 F8 Fe N8 Se4 -","- C80 H128 B8 F32 Fe4 N32 Se16 -","4","0.5","","Stadelman, Bradley S.; Kimani, Martin M.; Bayse, Craig A.; McMillen, Colin D.; Brumaghim, Julia L.","Synthesis, characterization, DFT calculations, and electrochemical comparison of novel iron(ii) complexes with thione and selone ligands.","Dalton transactions (Cambridge, England : 2003)","2016","45","11","4697","4711","10.1039/c5dt03384e","","","0.71073","MoKα","","0.0578","0.0476","","","0.1211","0.1333","","","","","","1.093","","","","has coordinates,has disorder","181693","2020-10-21","18:00:00",""
"7038218","9.416","0.002","13.653","0.002","13.12","0.003","90","","109.477","0.008","90","","1590.1","0.6","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C10 H16 Cl2 Fe N4 S2 -","- C10 H16 Cl2 Fe N4 S2 -","- C40 H64 Cl8 Fe4 N16 S8 -","4","1","","Stadelman, Bradley S.; Kimani, Martin M.; Bayse, Craig A.; McMillen, Colin D.; Brumaghim, Julia L.","Synthesis, characterization, DFT calculations, and electrochemical comparison of novel iron(ii) complexes with thione and selone ligands.","Dalton transactions (Cambridge, England : 2003)","2016","45","11","4697","4711","10.1039/c5dt03384e","","","0.71073","MoKα","","0.0945","0.0734","","","0.1576","0.1798","","","","","","1.099","","","","has coordinates","181693","2020-10-21","18:00:00",""
"7038219","9.5166","0.0019","13.693","0.003","13.279","0.003","90","","108.25","0.03","90","","1643.4","0.7","193","2","193","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C10 H16 Cl2 Fe N4 Se2 -","- C10 H16 Cl2 Fe N4 Se2 -","- C40 H64 Cl8 Fe4 N16 Se8 -","4","1","","Stadelman, Bradley S.; Kimani, Martin M.; Bayse, Craig A.; McMillen, Colin D.; Brumaghim, Julia L.","Synthesis, characterization, DFT calculations, and electrochemical comparison of novel iron(ii) complexes with thione and selone ligands.","Dalton transactions (Cambridge, England : 2003)","2016","45","11","4697","4711","10.1039/c5dt03384e","","","0.71073","MoKα","","0.0299","0.0277","","","0.0642","0.0661","","","","","","1.136","","","","has coordinates","181693","2020-10-21","18:00:00",""
"7038220","10.3132","0.0011","12.5813","0.0011","14.217","0.0013","95.914","0.007","107.501","0.009","98.169","0.008","1720.6","0.3","150","2","150","2","","","","","","","","3","P -1","-P 1","2","","","","- C47 H34 N4 -","- C47 H34 N4 -","- C94 H68 N8 -","2","1","","Lai, Ya-Yuan; Chang, Yu-Chang; Chen, Jyh-Horung; Wang, Shin-Shin; Tung, Jo-Yu","Axial zero-field splitting in mononuclear Co(ii) 2-N substituted N-confused porphyrin: Co(2-NC3H5-21-Y-CH2C6H4CH3-NCTPP)Cl (Y = o, m, p) and Co(2-NC3H5-21-CH2C6H5-NCTPP)Cl.","Dalton transactions (Cambridge, England : 2003)","2016","45","11","4854","4862","10.1039/c6dt00137h","","x-ray","0.71073","MoKα","","0.1247","0.0752","","","0.1792","0.2156","","","","","","1.037","","","","has coordinates","181696","2020-10-21","18:00:00",""
"7038221","15.4231","0.0012","16.2904","0.0011","15.8389","0.0014","90","","115.602","0.011","90","","3588.8","0.6","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C47 H33 Cl N4 Zn -","- C47 H31.348 Cl N4 Zn -","- C188 H125.392 Cl4 N16 Zn4 -","4","1","","Lai, Ya-Yuan; Chang, Yu-Chang; Chen, Jyh-Horung; Wang, Shin-Shin; Tung, Jo-Yu","Axial zero-field splitting in mononuclear Co(ii) 2-N substituted N-confused porphyrin: Co(2-NC3H5-21-Y-CH2C6H4CH3-NCTPP)Cl (Y = o, m, p) and Co(2-NC3H5-21-CH2C6H5-NCTPP)Cl.","Dalton transactions (Cambridge, England : 2003)","2016","45","11","4854","4862","10.1039/c6dt00137h","","x-ray","0.71073","MoKα","","0.0782","0.0568","","","0.1314","0.1431","","","","","","1.064","","","","has coordinates,has disorder","181696","2020-10-21","18:00:00",""
"7038222","15.9358","0.0007","15.7936","0.0009","18.1803","0.0008","90","","96.614","0.004","90","","4545.2","0.4","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C58 H47 Cl Co N4 O2 -","- C58 H46 Cl Co N4 O2 -","- C232 H184 Cl4 Co4 N16 O8 -","4","1","","Lai, Ya-Yuan; Chang, Yu-Chang; Chen, Jyh-Horung; Wang, Shin-Shin; Tung, Jo-Yu","Axial zero-field splitting in mononuclear Co(ii) 2-N substituted N-confused porphyrin: Co(2-NC3H5-21-Y-CH2C6H4CH3-NCTPP)Cl (Y = o, m, p) and Co(2-NC3H5-21-CH2C6H5-NCTPP)Cl.","Dalton transactions (Cambridge, England : 2003)","2016","45","11","4854","4862","10.1039/c6dt00137h","","x-ray","0.71073","MoKα","","0.1456","0.0792","","","0.1795","0.219","","","","","","1.025","","","","has coordinates,has disorder","181696","2020-10-21","18:00:00",""
"7038223","12.7923","0.0006","20.7636","0.0011","21.6038","0.0012","90","","107.141","0.002","90","","5483.4","0.5","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C55 H41 Cl Co N4 -","- C55 H39.343 Cl Co N4 -","- C220 H157.372 Cl4 Co4 N16 -","4","1","","Lai, Ya-Yuan; Chang, Yu-Chang; Chen, Jyh-Horung; Wang, Shin-Shin; Tung, Jo-Yu","Axial zero-field splitting in mononuclear Co(ii) 2-N substituted N-confused porphyrin: Co(2-NC3H5-21-Y-CH2C6H4CH3-NCTPP)Cl (Y = o, m, p) and Co(2-NC3H5-21-CH2C6H5-NCTPP)Cl.","Dalton transactions (Cambridge, England : 2003)","2016","45","11","4854","4862","10.1039/c6dt00137h","","x-ray","0.71073","MoKα","","0.1031","0.0896","","","0.2232","0.2326","","","","","","1.057","","","","has coordinates,has disorder","181696","2020-10-21","18:00:00",""
"7038224","33.536","0.0012","13.7306","0.0007","25.4256","0.001","90","","109.587","0.004","90","","11030.2","0.9","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C55 H41 Cl Co N4 -","- C55 H40 Cl Co N4 -","- C440 H320 Cl8 Co8 N32 -","8","1","","Lai, Ya-Yuan; Chang, Yu-Chang; Chen, Jyh-Horung; Wang, Shin-Shin; Tung, Jo-Yu","Axial zero-field splitting in mononuclear Co(ii) 2-N substituted N-confused porphyrin: Co(2-NC3H5-21-Y-CH2C6H4CH3-NCTPP)Cl (Y = o, m, p) and Co(2-NC3H5-21-CH2C6H5-NCTPP)Cl.","Dalton transactions (Cambridge, England : 2003)","2016","45","11","4854","4862","10.1039/c6dt00137h","","x-ray","0.71073","MoKα","","0.0816","0.0535","","","0.1527","0.1673","","","","","","1.105","","","","has coordinates,has disorder","181696","2020-10-21","18:00:00",""
"7038225","12.8223","0.0003","20.6909","0.0005","21.239","0.0007","90","","106.933","0.003","90","","5390.5","0.3","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C55 H41 Cl Co N4 -","- C55 H40 Cl Co N4 -","- C220 H160 Cl4 Co4 N16 -","4","1","","Lai, Ya-Yuan; Chang, Yu-Chang; Chen, Jyh-Horung; Wang, Shin-Shin; Tung, Jo-Yu","Axial zero-field splitting in mononuclear Co(ii) 2-N substituted N-confused porphyrin: Co(2-NC3H5-21-Y-CH2C6H4CH3-NCTPP)Cl (Y = o, m, p) and Co(2-NC3H5-21-CH2C6H5-NCTPP)Cl.","Dalton transactions (Cambridge, England : 2003)","2016","45","11","4854","4862","10.1039/c6dt00137h","","x-ray","0.71073","MoKα","","0.0789","0.0559","","","0.1593","0.1719","","","","","","1.029","","","","has coordinates,has disorder","181696","2020-10-21","18:00:00",""
"7038226","26.1423","0.0002","13.5644","0.0002","16.4508","0.0003","90","","98.943","0.001","90","","5762.61","0.14","150","2","150","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","Ru(H2pdca)(pic)3","","- C25 H26 F6 N6 O2 P Ru -","- C25 H26 F6 N6 O2 P Ru -","- C200 H208 F48 N48 O16 P8 Ru8 -","8","1","","Rabten, Wangchuk; Åkermark, Torbjörn; Kärkäs, Markus D; Chen, Hong; Sun, Junliang; Andersson, Pher G.; Åkermark, Björn","A ruthenium water oxidation catalyst based on a carboxamide ligand.","Dalton transactions (Cambridge, England : 2003)","2016","45","8","3272","3276","10.1039/c6dt00327c","","","0.6889","synchrotron","","0.033","0.0304","","","0.1086","0.1127","","","","","","0.96","","","","has coordinates","177838","2020-10-21","18:00:00",""
"7038227","12.703","","9.444","","29.401","","90","","90","","90","","3527.15","","296","2","296","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C15 H16 Cd O11 -","- C15 H16 Cd O11 -","- C120 H128 Cd8 O88 -","8","1","","Xing, Kai; Fan, Ruiqing; Gao, Song; Wang, Xinming; Du, Xi; Wang, Ping; Fang, Ru; Yang, Yulin","Controllable synthesis of Zn/Cd(ii) coordination polymers: dual-emissive luminescent properties, and tailoring emission tendency under varying excitation energies.","Dalton transactions (Cambridge, England : 2003)","2016","45","11","4863","4878","10.1039/c5dt04759e","","","0.71073","MoKα","","0.0614","0.0371","","","0.109","0.1318","","","","","","0.882","","","","has coordinates","181705","2020-10-21","18:00:00",""
"7038228","7.8553","0.0011","11.9933","0.0017","13.9255","0.0019","109.566","0.002","99.334","0.003","94.642","0.003","1206.8","0.3","296","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C27 H18 Cd N4 O7 -","- C27 H18 Cd N4 O7 -","- C54 H36 Cd2 N8 O14 -","2","1","","Xing, Kai; Fan, Ruiqing; Gao, Song; Wang, Xinming; Du, Xi; Wang, Ping; Fang, Ru; Yang, Yulin","Controllable synthesis of Zn/Cd(ii) coordination polymers: dual-emissive luminescent properties, and tailoring emission tendency under varying excitation energies.","Dalton transactions (Cambridge, England : 2003)","2016","45","11","4863","4878","10.1039/c5dt04759e","","","0.71073","MoKα","","0.0705","0.0475","","","0.1188","0.1389","","","","","","0.825","","","","has coordinates","181705","2020-10-21","18:00:00",""
"7038229","6.9785","0.0016","9.55","0.003","14.549","0.004","108.26","0.008","95.88","0.008","92.854","0.008","912.5","0.4","296","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C21 H13 N2 O7 Zn -","- C21 H13 N2 O7 Zn -","- C42 H26 N4 O14 Zn2 -","2","1","","Xing, Kai; Fan, Ruiqing; Gao, Song; Wang, Xinming; Du, Xi; Wang, Ping; Fang, Ru; Yang, Yulin","Controllable synthesis of Zn/Cd(ii) coordination polymers: dual-emissive luminescent properties, and tailoring emission tendency under varying excitation energies.","Dalton transactions (Cambridge, England : 2003)","2016","45","11","4863","4878","10.1039/c5dt04759e","","","0.71073","MoKα","","0.0986","0.0466","","","0.1084","0.1395","","","","","","0.806","","","","has coordinates","181705","2020-10-21","18:00:00",""
"7038230","13.7884","0.0007","18.0779","0.0007","17.6422","0.0008","90","","90","","90","","4397.6","0.3","173","2","173","2","","","","","","","","5","C 2 2 21","C 2c 2","20","","","","- C50 H31 Cd3 N4 O15 -","- C50 H31 Cd3 N4 O15 -","- C200 H124 Cd12 N16 O60 -","4","0.5","","Xing, Kai; Fan, Ruiqing; Gao, Song; Wang, Xinming; Du, Xi; Wang, Ping; Fang, Ru; Yang, Yulin","Controllable synthesis of Zn/Cd(ii) coordination polymers: dual-emissive luminescent properties, and tailoring emission tendency under varying excitation energies.","Dalton transactions (Cambridge, England : 2003)","2016","45","11","4863","4878","10.1039/c5dt04759e","","","0.71073","MoKα","","0.037","0.0271","","","0.0433","0.0455","","","","","","1.041","","","","has coordinates","181705","2020-10-21","18:00:00",""
"7038231","13.862","0.003","14.477","0.003","14.664","0.004","95.331","0.007","106.021","0.007","118.084","0.006","2407.7","1","289","2","289","2","","","","","","","","5","P -1","-P 1","2","","","","- C50 H36 Cd3 N4 O17 -","- C50 H36 Cd3 N4 O17 -","- C100 H72 Cd6 N8 O34 -","2","1","","Xing, Kai; Fan, Ruiqing; Gao, Song; Wang, Xinming; Du, Xi; Wang, Ping; Fang, Ru; Yang, Yulin","Controllable synthesis of Zn/Cd(ii) coordination polymers: dual-emissive luminescent properties, and tailoring emission tendency under varying excitation energies.","Dalton transactions (Cambridge, England : 2003)","2016","45","11","4863","4878","10.1039/c5dt04759e","","","0.71073","MoKα","","0.1335","0.0547","","","0.1279","0.1676","","","","","","0.853","","","","has coordinates","181705","2020-10-21","18:00:00",""
"7038232","16.4466","0.0003","16.4466","0.0003","16.4466","0.0003","90","","90","","90","","4448.65","0.14","295","","295","","","","","","","","","3","I a -3 d","-I 4bd 2c 3","230","","AlPd15B7","","- Al B7 Pd15 -","- Al B7 Pd15 -","- Al16 B112 Pd240 -","16","0.166667","","Zheng, Qiang; Schnelle, Walter; Prots, Yurii; Bobnar, Matej; Burkhardt, Ulrich; Leithe-Jasper, Andreas; Gumeniuk, Roman","AlPd15B7: a new superconducting cage-compound with an anti-Yb3Rh4Sn13-type of structure.","Dalton transactions (Cambridge, England : 2003)","2016","45","9","3943","3948","10.1039/c5dt04751j","","","0.71073","MoKα","","","0.058","","","","0.064","","","","","","1.02","","","","has coordinates","177854","2020-10-21","18:00:00",""
"7038233","11.597","0.011","26.18","0.02","19.079","0.018","90","","96.784","0.011","90","","5752","9","296","2","296","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","[(HO-C5H3N-CH2-C5H3N-C5H4N)Ru(PPh3)2OH][PF6]","","- C52 H44 F6 N3 O2 P3 Ru -","- C52 H43 F6 N3 O2 P3 Ru -","- C208 H172 F24 N12 O8 P12 Ru4 -","4","1","","Shi, Jing; Hu, Bowen; Gong, Dawei; Shang, Shu; Hou, Guangfeng; Chen, Dafa","Ruthenium complexes bearing an unsymmetrical pincer ligand with a 2-hydroxypyridylmethylene fragment: active catalysts for transfer hydrogenation of ketones.","Dalton transactions (Cambridge, England : 2003)","2016","45","11","4828","4834","10.1039/c6dt00034g","","","0.71073","MoKα","","0.1457","0.0968","","","0.226","0.2453","","","","","","1.133","","","","has coordinates","181694","2020-10-21","18:00:00",""
"7038234","10.638","0.0011","19.076","0.002","9.2825","0.001","90","","103.396","0.002","90","","1832.5","0.3","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C38 H34 Cl2 N8 O4 Pb2 -","- C38 H34 Cl2 N8 O4 Pb2 -","- C76 H68 Cl4 N16 O8 Pb4 -","2","0.5","","Mahmoudi, Ghodrat; Bauzá, Antonio; Frontera, Antonio","Concurrent agostic and tetrel bonding interactions in lead(ii) complexes with an isonicotinohydrazide based ligand and several anions.","Dalton transactions (Cambridge, England : 2003)","2016","45","12","4965","4969","10.1039/c6dt00131a","","","0.71073","MoKα","","0.0281","0.0227","","","0.0497","0.0514","","","","","","1.039","","","","has coordinates,has disorder","181666","2020-10-21","18:00:00",""
"7038235","10.9695","0.0009","19.2524","0.001","9.5858","0.0008","90","","105.181","0.009","90","","1953.8","0.3","173","2","173","2","","","","","","","synthesis as described","6","P 1 21/c 1","-P 2ybc","14","","","","- C19 H17 I N4 O2 Pb -","- C19 H13 I N4 O2 Pb -","- C76 H52 I4 N16 O8 Pb4 -","4","1","","Mahmoudi, Ghodrat; Bauzá, Antonio; Frontera, Antonio","Concurrent agostic and tetrel bonding interactions in lead(ii) complexes with an isonicotinohydrazide based ligand and several anions.","Dalton transactions (Cambridge, England : 2003)","2016","45","12","4965","4969","10.1039/c6dt00131a","","x-ray","0.71069","MoKα","","0.0829","0.0585","","","0.1503","0.1601","","","","","","1.003","","","","has coordinates","206958","2020-10-21","18:00:00",""
"7038236","8.858","0.0002","19.663","0.0005","21.186","0.0007","90","","90","","90","","3690.07","0.17","295","2","295","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","33G","33G","","- C19 H13 N5 O Pb S -","- C19 H13 N5 O Pb S -","- C152 H104 N40 O8 Pb8 S8 -","8","2","","Mahmoudi, Ghodrat; Bauzá, Antonio; Frontera, Antonio","Concurrent agostic and tetrel bonding interactions in lead(ii) complexes with an isonicotinohydrazide based ligand and several anions.","Dalton transactions (Cambridge, England : 2003)","2016","45","12","4965","4969","10.1039/c6dt00131a","","","0.71073","MoKα","","0.0786","0.0454","","","0.0891","0.0985","","","","","","0.95","","","","has coordinates","182989","2020-10-21","18:00:00",""
"7038237","10.7519","0.0011","19.718","0.002","9.255","0.0009","90","","105.25","0.004","90","","1893","0.3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H17 N5 O4 Pb -","- C19 H17 N5 O4 Pb -","- C76 H68 N20 O16 Pb4 -","4","1","","Mahmoudi, Ghodrat; Bauzá, Antonio; Frontera, Antonio","Concurrent agostic and tetrel bonding interactions in lead(ii) complexes with an isonicotinohydrazide based ligand and several anions.","Dalton transactions (Cambridge, England : 2003)","2016","45","12","4965","4969","10.1039/c6dt00131a","","","0.71073","MoKα","","0.027","0.0197","","","0.0383","0.04","","","","","","1.026","","","","has coordinates","206958","2020-10-21","18:00:00",""
"7038238","16.3142","0.0006","11.7106","0.0004","19.3881","0.0006","90","","90","","90","","3704.1","0.2","173","2","173","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C37 H45 B Cl2 Cu N7 -","- C37 H45 B Cl2 Cu N7 -","- C148 H180 B4 Cl8 Cu4 N28 -","4","1","","Álvarez, María; Álvarez, Eleuterio; Fructos, Manuel R.; Urbano, Juan; Pérez, Pedro J","Copper-induced ammonia N-H functionalization.","Dalton transactions (Cambridge, England : 2003)","2016","45","37","14628","14633","10.1039/c5dt04972e","","","0.71073","MoKα","","0.035","0.03","","","0.0765","0.0808","","","","","","1.044","","","","has coordinates","187145","2020-10-21","18:00:00",""
"7038239","11.6413","0.0004","11.6413","0.0004","45.352","0.003","90","","90","","120","","5322.7","0.4","173","2","173","2","","","","","","","","5","R 3 c :H","R 3 -2""c","161","","","","- C38 H47 B Cu N7 -","- C38 H46.9999 B Cu N6.99999 -","- C228 H282 B6 Cu6 N41.9999 -","6","0.333333","","Álvarez, María; Álvarez, Eleuterio; Fructos, Manuel R.; Urbano, Juan; Pérez, Pedro J","Copper-induced ammonia N-H functionalization.","Dalton transactions (Cambridge, England : 2003)","2016","45","37","14628","14633","10.1039/c5dt04972e","","","0.71073","MoKα","","0.0409","0.0373","","","0.0972","0.1006","","","","","","1.08","","","","has coordinates","187145","2020-10-21","18:00:00",""
"7038240","17.1818","0.0009","13.6111","0.0006","16.4367","0.0009","90","","90","","90","","3843.9","0.3","173","2","173","2","","","","","","","","5","C m c 21","C 2c -2","36","","","","- C40 H51 B Cu N7 -","- C40 H51 B Cu N7 -","- C160 H204 B4 Cu4 N28 -","4","0.5","","Álvarez, María; Álvarez, Eleuterio; Fructos, Manuel R.; Urbano, Juan; Pérez, Pedro J","Copper-induced ammonia N-H functionalization.","Dalton transactions (Cambridge, England : 2003)","2016","45","37","14628","14633","10.1039/c5dt04972e","","","0.71073","MoKα","","0.0356","0.0327","","","0.0925","0.095","","","","","","1.1","","","","has coordinates","187145","2020-10-21","18:00:00",""
"7038241","19.5923","0.0005","11.7255","0.0003","16.7466","0.0004","90","","90.829","0.001","90","","3846.79","0.17","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C43 H49 B Cu N7 -","- C43 H49 B Cu N7 -","- C172 H196 B4 Cu4 N28 -","4","1","","Álvarez, María; Álvarez, Eleuterio; Fructos, Manuel R.; Urbano, Juan; Pérez, Pedro J","Copper-induced ammonia N-H functionalization.","Dalton transactions (Cambridge, England : 2003)","2016","45","37","14628","14633","10.1039/c5dt04972e","","","0.71073","MoKα","","0.0396","0.0307","","","0.084","0.0886","","","","","","1.075","","","","has coordinates,has disorder","187145","2020-10-21","18:00:00",""
"7038242","20.1415","0.0004","20.1415","0.0004","24.6108","0.0012","90","","90","","120","","8646.5","0.5","193","2","193","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C58 H63 B Cl6 Cu N7 -","- C58 H63 B Cl6 Cu0.999999 N7 -","- C348 H378 B6 Cl36 Cu5.99999 N42 -","6","0.333333","","Álvarez, María; Álvarez, Eleuterio; Fructos, Manuel R.; Urbano, Juan; Pérez, Pedro J","Copper-induced ammonia N-H functionalization.","Dalton transactions (Cambridge, England : 2003)","2016","45","37","14628","14633","10.1039/c5dt04972e","","","0.71073","MoKα","","0.0507","0.0389","","","0.1131","0.1218","","","","","","1.066","","","","has coordinates,has disorder","187145","2020-10-21","18:00:00",""
"7038243","11.9013","0.0001","11.9013","0.0001","45.2468","0.001","90","","90","","120","","5550.18","0.14","193","2","193","2","","","","","","","","6","R 3 c :H","R 3 -2""c","161","","","","- C40 H48 B Li N6 O -","- C39.9996 H47.9992 B Li N6 O -","- C239.998 H287.995 B6 Li6 N36 O6 -","6","0.333333","","Álvarez, María; Álvarez, Eleuterio; Fructos, Manuel R.; Urbano, Juan; Pérez, Pedro J","Copper-induced ammonia N-H functionalization.","Dalton transactions (Cambridge, England : 2003)","2016","45","37","14628","14633","10.1039/c5dt04972e","","","0.71073","MoKα","","0.0667","0.066","","","0.1856","0.1864","","","","","","1.393","","","","has coordinates","187145","2020-10-21","18:00:00",""
"7038244","18.5242","0.001","14.3774","0.0009","36.4","0.002","90","","97.093","0.003","90","","9620.2","1","193","2","193","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C50 H55 B Cl2 Cu N7 -","- C50 H55 B Cl2 Cu N7 -","- C400 H440 B8 Cl16 Cu8 N56 -","8","2","","Álvarez, María; Álvarez, Eleuterio; Fructos, Manuel R.; Urbano, Juan; Pérez, Pedro J","Copper-induced ammonia N-H functionalization.","Dalton transactions (Cambridge, England : 2003)","2016","45","37","14628","14633","10.1039/c5dt04972e","","","0.71073","MoKα","","0.13","0.1","","","0.27","0.25","","","","","","1.073","","","","has coordinates","187145","2020-10-21","18:00:00",""
"7038245","7.2297","0.0002","15.8563","0.0005","12.3339","0.0004","90","","98.312","0.002","90","","1399.06","0.07","150","","150","","","","","","","","Henj471A","5","P 1 21/n 1","-P 2yn","14","","","","- C14 H10 Br2 O3 S -","- C14 H10 Br2 O3 S -","- C56 H40 Br8 O12 S4 -","4","1","","Pettinari, Riccardo; Marchetti, Fabio; Pettinari, Claudio; Condello, Francesca; Skelton, Brian W.; White, Allan H.; Chierotti, Michele R.; Gobetto, Roberto","Self-assembly of arene ruthenium acylpyrazolone fragments to tetranuclear metallacycles. Molecular structures and solid-state (15)N CPMAS NMR correlations.","Dalton transactions (Cambridge, England : 2003)","2016","45","9","3974","3982","10.1039/c6dt00168h","","","0.71073","MoKα","","0.0332","0.0266","","0.07","0.0682","0.07","","","","","","0.7565","","","","has coordinates","177856","2020-10-21","18:00:00",""
"7038246","7.5449","0.0003","12.0143","0.0004","12.9409","0.0005","112.841","0.004","95.967","0.003","103.15","0.003","1028.27","0.08","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C22 H24 Cl2 N2 O2 Ru -","- C22 H24 Cl2 N2 O2 Ru -","- C44 H48 Cl4 N4 O4 Ru2 -","2","1","","Pettinari, Riccardo; Marchetti, Fabio; Pettinari, Claudio; Condello, Francesca; Skelton, Brian W.; White, Allan H.; Chierotti, Michele R.; Gobetto, Roberto","Self-assembly of arene ruthenium acylpyrazolone fragments to tetranuclear metallacycles. Molecular structures and solid-state (15)N CPMAS NMR correlations.","Dalton transactions (Cambridge, England : 2003)","2016","45","9","3974","3982","10.1039/c6dt00168h","","","0.71073","MoKα","","0.0367","0.0305","","","0.069","0.0721","","","","","","1.034","","","","has coordinates","177856","2020-10-21","18:00:00",""
"7038247","32.1763","0.0017","11.3815","0.0004","15.8038","0.0008","90","","116.629","0.007","90","","5173.7","0.5","100","2","100","2","","","","","","","","8","C 1 2 1","C 2y","5","","","","- C93 H101 Cl7 F12 N8 O22 Ru4 S4 -","- C93 H97 Cl7 F12 N8 O22 Ru4 S4 -","- C186 H194 Cl14 F24 N16 O44 Ru8 S8 -","2","0.5","","Pettinari, Riccardo; Marchetti, Fabio; Pettinari, Claudio; Condello, Francesca; Skelton, Brian W.; White, Allan H.; Chierotti, Michele R.; Gobetto, Roberto","Self-assembly of arene ruthenium acylpyrazolone fragments to tetranuclear metallacycles. Molecular structures and solid-state (15)N CPMAS NMR correlations.","Dalton transactions (Cambridge, England : 2003)","2016","45","9","3974","3982","10.1039/c6dt00168h","","","0.71073","MoKα","","0.1317","0.0738","","","0.1353","0.1486","","","","","","0.941","","","","has coordinates,has disorder","177856","2020-10-21","18:00:00",""
"7038248","23.44","0.003","23.44","0.003","32.519","0.005","90","","90","","120","","15473","4","173","2","173","2","","","","","","","","7","R -3 :H","-R 3","148","","","","- C46 H92 Cl6 Fe3 N4 O2 P4 -","- C46 H92 Cl6 Fe3 N4 O2 P4 -","- C414 H828 Cl54 Fe27 N36 O18 P36 -","9","0.5","","Ai, Pengfei; Danopoulos, Andreas A.; Braunstein, Pierre","Transition metal (Rh and Fe) complexes and main-group (Se and B) adducts with N,N'-diphosphanyl NHC ligands: a study of stereoelectronic properties.","Dalton transactions (Cambridge, England : 2003)","2016","45","11","4771","4779","10.1039/c6dt00318d","","","0.71073","MoKα","","0.1912","0.0897","","","0.1603","0.196","","","","","","1.016","","","","has coordinates,has disorder","181691","2020-10-21","18:00:00",""
"7038249","14.6459","0.0012","15.1086","0.0013","15.817","0.0013","88.107","0.002","64.451","0.002","72.376","0.002","2990.1","0.4","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C40 H80 Cl5 N4 P4 Rh -","- C40 H80 Cl5 N4 P4 Rh -","- C80 H160 Cl10 N8 P8 Rh2 -","2","1","","Ai, Pengfei; Danopoulos, Andreas A.; Braunstein, Pierre","Transition metal (Rh and Fe) complexes and main-group (Se and B) adducts with N,N'-diphosphanyl NHC ligands: a study of stereoelectronic properties.","Dalton transactions (Cambridge, England : 2003)","2016","45","11","4771","4779","10.1039/c6dt00318d","","","0.71073","MoKα","","0.1111","0.0699","","","0.1933","0.2111","","","","","","1.06","","","","has coordinates","181691","2020-10-21","18:00:00",""
"7038250","11.9249","0.0006","36.905","0.0017","13.6692","0.0007","90","","102.638","0.001","90","","5869.9","0.5","173","2","173","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C44 H46 B3 F15 N2 O3 P2 -","- C44 H46 B3 F15 N2 O3 P2 -","- C176 H184 B12 F60 N8 O12 P8 -","4","1","","Ai, Pengfei; Danopoulos, Andreas A.; Braunstein, Pierre","Transition metal (Rh and Fe) complexes and main-group (Se and B) adducts with N,N'-diphosphanyl NHC ligands: a study of stereoelectronic properties.","Dalton transactions (Cambridge, England : 2003)","2016","45","11","4771","4779","10.1039/c6dt00318d","","","0.71073","MoKα","","0.1126","0.0748","","","0.1998","0.2152","","","","","","1.05","","","","has coordinates,has disorder","181691","2020-10-21","18:00:00",""
"7038251","15.9082","0.0005","14.5038","0.0003","25.3341","0.0009","90","","90","","90","","5845.3","0.3","173","2","173","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C24 H40 N4 O2 P2 Rh2 -","- C24 H40 N4 O2 P2 Rh2 -","- C192 H320 N32 O16 P16 Rh16 -","8","1","","Ai, Pengfei; Danopoulos, Andreas A.; Braunstein, Pierre","Transition metal (Rh and Fe) complexes and main-group (Se and B) adducts with N,N'-diphosphanyl NHC ligands: a study of stereoelectronic properties.","Dalton transactions (Cambridge, England : 2003)","2016","45","11","4771","4779","10.1039/c6dt00318d","","","0.71073","MoKα","","0.1534","0.1022","","","0.1914","0.213","","","","","","1.289","","","","has coordinates","181691","2020-10-21","18:00:00",""
"7038252","14.2413","0.0017","9.0598","0.0011","17.831","0.002","90","","90","","90","","2300.6","0.5","173","2","173","2","","","","","","","","5","C m c 21","C 2c -2","36","","","","- C19 H38 N2 P2 Se -","- C19 H38 N2 P2 Se -","- C76 H152 N8 P8 Se4 -","4","0.5","","Ai, Pengfei; Danopoulos, Andreas A.; Braunstein, Pierre","Transition metal (Rh and Fe) complexes and main-group (Se and B) adducts with N,N'-diphosphanyl NHC ligands: a study of stereoelectronic properties.","Dalton transactions (Cambridge, England : 2003)","2016","45","11","4771","4779","10.1039/c6dt00318d","","","0.71073","MoKα","","0.0707","0.0499","","","0.1166","0.1285","","","","","","1.03","","","","has coordinates","181691","2020-10-21","18:00:00",""
"7038253","12.321","0.0005","22.2071","0.001","16.3727","0.0007","90","","105.578","0.001","90","","4315.2","0.3","173","2","173","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C41 H46 B F15 N2 O P2 -","- C41 H46 B F15 N2 O P2 -","- C164 H184 B4 F60 N8 O4 P8 -","4","1","","Ai, Pengfei; Danopoulos, Andreas A.; Braunstein, Pierre","Transition metal (Rh and Fe) complexes and main-group (Se and B) adducts with N,N'-diphosphanyl NHC ligands: a study of stereoelectronic properties.","Dalton transactions (Cambridge, England : 2003)","2016","45","11","4771","4779","10.1039/c6dt00318d","","","0.71073","MoKα","","0.087","0.0499","","","0.1028","0.1179","","","","","","1.019","","","","has coordinates","181691","2020-10-21","18:00:00",""
"7038254","15.528","0.01","9.512","0.005","22.462","0.011","90","","91.97","0.05","90","","3316","3","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C37 H30 Cl2 P2 Pt S2 -","- C37 H30 Cl2 P2 Pt S2 -","- C148 H120 Cl8 P8 Pt4 S8 -","4","1","","Real, Julio; Prat-Gil, Esther; Pagès-Barenys, Montserrat; Polo, Alfonso; Piniella, Joan F.; Álvarez-Larena, Ángel","Platinum phosphinothiolato hydride complexes: synthesis, structure and evaluation as tin-free hydroformylation catalysts.","Dalton transactions (Cambridge, England : 2003)","2016","45","9","3964","3973","10.1039/c5dt04107d","","","0.71069","MoKα","","0.1404","0.0798","","","0.1932","0.2003","","","","","","1.009","","","","has coordinates","177860","2020-10-21","18:00:00",""
"7038255","9.7696","0.0008","12.9072","0.0011","12.8003","0.0011","90","","110.244","0.008","90","","1514.4","0.2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C36 H28 P2 Pt S2 -","- C36 H28 P2 Pt S2 -","- C72 H56 P4 Pt2 S4 -","2","0.5","","Real, Julio; Prat-Gil, Esther; Pagès-Barenys, Montserrat; Polo, Alfonso; Piniella, Joan F.; Álvarez-Larena, Ángel","Platinum phosphinothiolato hydride complexes: synthesis, structure and evaluation as tin-free hydroformylation catalysts.","Dalton transactions (Cambridge, England : 2003)","2016","45","9","3964","3973","10.1039/c5dt04107d","","","0.71073","MoKα","","0.104","0.0519","","","0.0755","0.0886","","","","","","1.137","","","","has coordinates","177860","2020-10-21","18:00:00",""
"7038256","9.088","0.004","15.028","0.002","23.005","0.003","90","","95.87","0.02","90","","3125.4","1.5","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C36 H30 P2 Pt S -","- C36 H29 P2 Pt S -","- C144 H116 P8 Pt4 S4 -","4","1","","Real, Julio; Prat-Gil, Esther; Pagès-Barenys, Montserrat; Polo, Alfonso; Piniella, Joan F.; Álvarez-Larena, Ángel","Platinum phosphinothiolato hydride complexes: synthesis, structure and evaluation as tin-free hydroformylation catalysts.","Dalton transactions (Cambridge, England : 2003)","2016","45","9","3964","3973","10.1039/c5dt04107d","","","0.71069","MoKα","","0.1086","0.0538","","","0.1219","0.132","","","","","","0.872","","","","has coordinates","177860","2020-10-21","18:00:00",""
"7038257","17.26","0.003","7.853","0.0009","14.921","0.003","90","","106.611","0.014","90","","1938","0.6","198","","198","","","","","","","","see text","6","P 1 21/c 1","-P 2ybc","14","","","","- C21 H25 Cl N2 O Ru -","- C21 H25 Cl N2 O Ru -","- C84 H100 Cl4 N8 O4 Ru4 -","4","1","","Schleicher, David; Tronnier, Alexander; Leopold, Hendrik; Borrmann, Horst; Strassner, Thomas","Unusual dimer formation of cyclometalated ruthenium NHC p-cymene complexes.","Dalton transactions (Cambridge, England : 2003)","2016","45","8","3260","3263","10.1039/c6dt00100a","","x-ray","0.71073","MoKα","","0.0493","0.0274","","","0.0604","0.066","","","","","","1.124","","","","has coordinates","211179","2020-10-21","18:00:00",""
"7038258","13.8063","0.0003","13.2266","0.0003","41.551","0.0011","90","","97.253","0.001","90","","7526.9","0.3","295","2","295","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C72 H56 B Br2 Cl F24 N4 Ru2 -","- C72 H56 B Br2 Cl F24 N4 Ru2 -","- C288 H224 B4 Br8 Cl4 F96 N16 Ru8 -","4","1","","Schleicher, David; Tronnier, Alexander; Leopold, Hendrik; Borrmann, Horst; Strassner, Thomas","Unusual dimer formation of cyclometalated ruthenium NHC p-cymene complexes.","Dalton transactions (Cambridge, England : 2003)","2016","45","8","3260","3263","10.1039/c6dt00100a","","","0.71073","MoKα","","0.0574","0.0515","","","0.1381","0.1428","","","","","","1.106","","","","has coordinates","177836","2020-10-21","18:00:00",""
"7038259","10.982","0.002","12.179","0.0014","13.45","0.003","90","","90","","90","","1798.9","0.6","198","","198","","","","","","","","see text","5","P 21 21 21","P 2ac 2ab","19","","","","- C20 H23 Cl N2 Ru -","- C20 H23 Cl N2 Ru -","- C80 H92 Cl4 N8 Ru4 -","4","1","","Schleicher, David; Tronnier, Alexander; Leopold, Hendrik; Borrmann, Horst; Strassner, Thomas","Unusual dimer formation of cyclometalated ruthenium NHC p-cymene complexes.","Dalton transactions (Cambridge, England : 2003)","2016","45","8","3260","3263","10.1039/c6dt00100a","","x-ray","0.71073","MoKα","","0.0289","0.0227","","","0.0636","0.066","","","","","","1.264","","","","has coordinates","211179","2020-10-21","18:00:00",""
"7038260","12.287","0.0003","13.4591","0.0003","23.1223","0.0005","90","","92.809","0.002","90","","3819.19","0.15","120","2","120","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","Mixedamine1","","","- C7 H22 Cu7 N47 -","- C7 H22 Cu7 N47 -","- C28 H88 Cu28 N188 -","4","1","","Mistry, Subhradeep; Sutter, Jean-Pascal; Natarajan, Srinivasan","Stabilization of Cu7 clusters in azide networks: syntheses, structures and magnetic behaviour.","Dalton transactions (Cambridge, England : 2003)","2016","45","12","5140","5150","10.1039/c5dt04387e","","","0.71073","MoKα","","0.0649","0.056","","","0.129","0.1343","","","","","","1.05","","","","has coordinates,has disorder","181674","2020-10-21","18:00:00",""
"7038261","12.333","0.002","13.499","0.003","23.155","0.004","90","","93.365","0.009","90","","3848.3","1.3","120","2","120","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","Mixedamine2","","","- C8 H24 Cu7 N47 -","- C8 H24 Cu7 N47 -","- C32 H96 Cu28 N188 -","4","1","","Mistry, Subhradeep; Sutter, Jean-Pascal; Natarajan, Srinivasan","Stabilization of Cu7 clusters in azide networks: syntheses, structures and magnetic behaviour.","Dalton transactions (Cambridge, England : 2003)","2016","45","12","5140","5150","10.1039/c5dt04387e","","","0.71073","MoKα","","0.0718","0.0634","","","0.1398","0.1432","","","","","","1.095","","","","has coordinates,has disorder","181674","2020-10-21","18:00:00",""
"7038292","14.1809","0.0003","14.5825","0.0003","15.1972","0.0003","70.329","0.001","63.513","0.001","77.344","0.001","2639.77","0.1","133","2","133","2","","","","","","","","6","P -1","-P 1","2","","","","- C63 H51 Cu N4 O5 P2 -","- C63 H51 Cu N4 O5 P2 -","- C126 H102 Cu2 N8 O10 P4 -","2","1","","Schulz, M.; Dröge, F; Herrmann-Westendorf, F; Schindler, J.; Görls, H; Presselt, M.","Neutral, heteroleptic copper(i)-4H-imidazolate complexes: synthesis and characterization of their structural, spectral and redox properties.","Dalton transactions (Cambridge, England : 2003)","2016","45","11","4835","4842","10.1039/c5dt04435a","","","0.71073","MoKα","","0.0522","0.0419","","","0.0825","0.0883","","","","","","1.097","","","","has coordinates,has disorder","181688","2020-10-21","18:00:00",""
"7038293","12.2239","0.0002","16.2189","0.0003","16.5242","0.0003","63.069","0.001","85.486","0.001","85.35","0.001","2907.91","0.09","133","2","133","2","","","","","","","","7","P -1","-P 1","2","","","","- C67 H57 Cl2 Cu N4 O5 P2 -","- C67 H57 Cl2 Cu N4 O5 P2 -","- C134 H114 Cl4 Cu2 N8 O10 P4 -","2","1","","Schulz, M.; Dröge, F; Herrmann-Westendorf, F; Schindler, J.; Görls, H; Presselt, M.","Neutral, heteroleptic copper(i)-4H-imidazolate complexes: synthesis and characterization of their structural, spectral and redox properties.","Dalton transactions (Cambridge, England : 2003)","2016","45","11","4835","4842","10.1039/c5dt04435a","","","0.71073","MoKα","","0.0694","0.0552","","","0.1333","0.143","","","","","","1.058","","","","has coordinates,has disorder","181688","2020-10-21","18:00:00",""
"7038294","12.8088","0.0004","13.5384","0.0005","19.233","0.0007","88.555","0.002","71.411","0.002","69.456","0.002","2946.02","0.19","133","2","133","2","","","","","","","","7","P -1","-P 1","2","","","","- C61 H46 Cu F6 N5 O2 P2 -","- C61 H46 Cu F6 N5 O2 P2 -","- C122 H92 Cu2 F12 N10 O4 P4 -","2","1","","Schulz, M.; Dröge, F; Herrmann-Westendorf, F; Schindler, J.; Görls, H; Presselt, M.","Neutral, heteroleptic copper(i)-4H-imidazolate complexes: synthesis and characterization of their structural, spectral and redox properties.","Dalton transactions (Cambridge, England : 2003)","2016","45","11","4835","4842","10.1039/c5dt04435a","","","0.71073","MoKα","","0.079","0.0597","","","0.1108","0.1176","","","","","","1.075","","","","has coordinates,has disorder","181688","2020-10-21","18:00:00",""
"7038295","11.755","0.0001","19.8468","0.0003","22.9847","0.0004","90","","100.928","0.001","90","","5265.07","0.13","133","2","133","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C61 H44 Cu F6 N5 O P2 -","- C61 H44 Cu F6 N5 O P2 -","- C244 H176 Cu4 F24 N20 O4 P8 -","4","1","","Schulz, M.; Dröge, F; Herrmann-Westendorf, F; Schindler, J.; Görls, H; Presselt, M.","Neutral, heteroleptic copper(i)-4H-imidazolate complexes: synthesis and characterization of their structural, spectral and redox properties.","Dalton transactions (Cambridge, England : 2003)","2016","45","11","4835","4842","10.1039/c5dt04435a","","","0.71073","MoKα","","0.0604","0.0491","","","0.1047","0.1113","","","","","","1.048","","","","has coordinates,has disorder","181688","2020-10-21","18:00:00",""
"7038296","11.4187","0.0012","23.393","0.002","13.9436","0.0014","90","","92.548","0.002","90","","3720.9","0.6","110","2","110","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C38 H24 F12 Hg3 N2 Ni O4 -","- C38 H24 F12 Hg3 N2 Ni O4 -","- C152 H96 F48 Hg12 N8 Ni4 O16 -","4","1","","Tsunoda, Mitsukimi; Fleischmann, Martin; Jones, J. Stuart; Bhuvanesh, Nattamai; Scheer, Manfred; Gabbaï, François P","Supramolecular aggregation of Ni(salen) with (C6F5)2Hg and [o-C6F4Hg]3.","Dalton transactions (Cambridge, England : 2003)","2016","45","12","5045","5051","10.1039/c5dt01887k","","","0.71073","MoKα","","0.06","0.0338","","","0.0544","0.0614","","","","","","0.988","","","","has coordinates","181656","2020-10-21","18:00:00",""
"7038297","13.6122","0.0015","22.596","0.002","12.2925","0.0013","90","","118.963","0.001","90","","3308.1","0.6","150","1","150","1","","","","","","","see text","7","C 1 c 1","C -2yc","9","","","","- C34 H14 F12 Hg3 N2 Ni O2 -","- C34 H14 F12 Hg3 N2 Ni O2 -","- C136 H56 F48 Hg12 N8 Ni4 O8 -","4","1","","Tsunoda, Mitsukimi; Fleischmann, Martin; Jones, J. Stuart; Bhuvanesh, Nattamai; Scheer, Manfred; Gabbaï, François P","Supramolecular aggregation of Ni(salen) with (C6F5)2Hg and [o-C6F4Hg]3.","Dalton transactions (Cambridge, England : 2003)","2016","45","12","5045","5051","10.1039/c5dt01887k","","x-ray","0.71073","MoKα","","0.0287","0.0259","","","0.0512","0.0524","","","","","","0.918","","","","has coordinates,has disorder","211179","2020-10-21","18:00:00",""
"7038298","7.1203","0.0007","24.87","0.002","14.1415","0.0015","90","","92.806","0.007","90","","2501.2","0.4","110.15","","110.15","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C28 H14 F10 Hg N2 Ni O2 -","- C28 H14 F10 Hg N2 Ni O2 -","- C112 H56 F40 Hg4 N8 Ni4 O8 -","4","1","","Tsunoda, Mitsukimi; Fleischmann, Martin; Jones, J. Stuart; Bhuvanesh, Nattamai; Scheer, Manfred; Gabbaï, François P","Supramolecular aggregation of Ni(salen) with (C6F5)2Hg and [o-C6F4Hg]3.","Dalton transactions (Cambridge, England : 2003)","2016","45","12","5045","5051","10.1039/c5dt01887k","","","0.71073","MoKα","","0.1273","0.0766","","","0.1657","0.1936","","","","","","1.137","","","","has coordinates,has disorder","181656","2020-10-21","18:00:00",""
"7038299","7.3744","0.0005","11.4485","0.0008","11.5972","0.0007","71.88","0.006","85.21","0.005","87.105","0.006","926.99","0.11","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C21 H22 Fe N S -","- C21 H22 Fe N S -","- C42 H44 Fe2 N2 S2 -","2","1","","Maragani, Ramesh; Gautam, Prabhat; Mobin, Shaikh M.; Misra, Rajneesh","C2-Symmetric ferrocenyl bisthiazoles: synthesis, photophysical, electrochemical and DFT studies.","Dalton transactions (Cambridge, England : 2003)","2016","45","11","4802","4809","10.1039/c5dt04988a","","","0.71073","MoKα","","0.0542","0.0454","","","0.1223","0.1332","","","","","","1.062","","","","has coordinates,has disorder","181703","2020-10-21","18:00:00",""
"7038300","7.4356","0.0006","9.4508","0.001","13.6586","0.001","104.175","0.008","103.557","0.007","100.421","0.008","875.28","0.15","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C38 H44 Fe2 N2 S2 -","- C38 H44 Fe2 N2 S2 -","- C38 H44 Fe2 N2 S2 -","1","0.5","","Maragani, Ramesh; Gautam, Prabhat; Mobin, Shaikh M.; Misra, Rajneesh","C2-Symmetric ferrocenyl bisthiazoles: synthesis, photophysical, electrochemical and DFT studies.","Dalton transactions (Cambridge, England : 2003)","2016","45","11","4802","4809","10.1039/c5dt04988a","","","1.5418","CuKα","","0.0906","0.0746","","","0.2114","0.2377","","","","","","1.058","","","","has coordinates,has disorder","181703","2020-10-21","18:00:00",""
"7038301","11.136","0.003","11.136","0.003","11.136","0.003","90","","90","","90","","1381","0.6","293","","293","2","","","","","","","","3","F d -3 m :2","-F 4vw 2vw 3","227","","","","- B Cu3 Pd3 -","- B Cu3 Pd3 -","- B16 Cu48 Pd48 -","16","0.0833333","","Sologub, Oksana; Salamakha, Leonid P.; Eguchi, Gaku; Stöger, Berthold; Rogl, Peter F.; Bauer, Ernst","Boron induced structure modifications in Pd-Cu-B system: new Ti2Ni-type derivative borides Pd3Cu3B and Pd5Cu5B2.","Dalton transactions (Cambridge, England : 2003)","2016","45","11","4879","4887","10.1039/c5dt05058h","","x-ray","0.71073","MoKα","","0.0141","0.0104","","","0.0239","0.0241","","","","","","1.05","","","","has coordinates","181690","2020-10-21","18:00:00",""
"7038302","10.5273","0.0005","10.5273","0.0005","10.5273","0.0005","90","","90","","90","","1166.68","0.1","293","2","293","2","","","","","","","","3","F -4 3 m","F -4 2 3","216","","","","- B2 Cu5 Pd5 -","- B2 Cu5 Pd5 -","- B16 Cu40 Pd40 -","8","0.0833333","","Sologub, Oksana; Salamakha, Leonid P.; Eguchi, Gaku; Stöger, Berthold; Rogl, Peter F.; Bauer, Ernst","Boron induced structure modifications in Pd-Cu-B system: new Ti2Ni-type derivative borides Pd3Cu3B and Pd5Cu5B2.","Dalton transactions (Cambridge, England : 2003)","2016","45","11","4879","4887","10.1039/c5dt05058h","","x-ray","0.71073","MoKα","","0.0145","0.0138","","","0.0265","0.0266","","","","","","1.227","","","","has coordinates","181690","2020-10-21","18:00:00",""
"7038303","10.5981","0.0005","10.5981","0.0005","10.5981","0.0005","90","","90","","90","","1190.38","0.1","293","2","293","2","","","","","","","","3","F -4 3 m","F -4 2 3","216","","","","- B2 Cu4 Pd6 -","- B2 Cu4.046 Pd5.954 -","- B16 Cu32.368 Pd47.632 -","8","0.0833333","","Sologub, Oksana; Salamakha, Leonid P.; Eguchi, Gaku; Stöger, Berthold; Rogl, Peter F.; Bauer, Ernst","Boron induced structure modifications in Pd-Cu-B system: new Ti2Ni-type derivative borides Pd3Cu3B and Pd5Cu5B2.","Dalton transactions (Cambridge, England : 2003)","2016","45","11","4879","4887","10.1039/c5dt05058h","","x-ray","0.71073","MoKα","","0.0288","0.0198","","","0.0244","0.0248","","","","","","1.144","","","","has coordinates","181690","2020-10-21","18:00:00",""
"7038304","34.5494","0.0008","6.3152","0.0001","26.8563","0.0006","90","","120.118","0.001","90","","5068.59","0.19","123","2","123","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C24 H21 Bi S6 -","- C24 H21 Bi S6 -","- C192 H168 Bi8 S48 -","8","1","","Senevirathna, Dimuthu C.; Blair, Victoria L.; Werrett, Melissa V.; Andrews, Philip C.","Taking bismuthinite to bismuth sulfide nanorods in two easy steps.","Dalton transactions (Cambridge, England : 2003)","2016","45","12","4998","5000","10.1039/c6dt00157b","","","0.71073","MoKα","","0.0423","0.0281","","","0.0484","0.0521","","","","","","1.022","","","","has coordinates","181665","2020-10-21","18:00:00",""
"7038305","30.7421","0.0007","30.7421","0.0007","70.888","0.002","90","","90","","120","","58019","2","150","0.1","150","0.1","","","","","","","","7","R -3 c","-R 3 2""c","167","","","","- C96 H108 Bi9 F45 N36 O53 S33 -","- C96 H108 Bi9 F45 N36 O53 S33 -","- C1152 H1296 Bi108 F540 N432 O636 S396 -","12","","","Katam, Srinivas; Arruri, Sathyanarayana; Chatla, Naga Babu; Ganesan, Prabusankar","Bismuth(III)dichalcogenones as Highly Active Catalysts in Multiple C-C Bond Formation Reactions","Dalton Trans.","2016","","","","","10.1039/C5DT04738B","","x-ray","1.54184","CuKα","","0.0498","0.0391","","","0.0918","0.0975","","","","","","1.0456","","","","has coordinates","176280","2020-10-21","18:00:00",""
"7038306","9.0767","0.0005","15.2872","0.0008","16.471","0.0007","71.308","0.004","86.504","0.004","82.217","0.004","2144.61","0.19","150","0.1","150","0.1","","","","","","","","8","P -1","-P 1","2","","","","- C23 H32 Bi F9 N8 O11 S3 Se4 -","- C23 H32 Bi F9 N8 O11 S3 Se4 -","- C46 H64 Bi2 F18 N16 O22 S6 Se8 -","2","1","","Katam, Srinivas; Arruri, Sathyanarayana; Chatla, Naga Babu; Ganesan, Prabusankar","Bismuth(III)dichalcogenones as Highly Active Catalysts in Multiple C-C Bond Formation Reactions","Dalton Trans.","2016","","","","","10.1039/C5DT04738B","","","1.54184","CuKα","","0.0549","0.0493","","","0.1285","0.135","","","","","","1.0413","","","","has coordinates","176280","2020-10-21","18:00:00",""
"7038307","15.1033","0.0003","13.2707","0.0003","22.9733","0.0004","90","","94.638","0.0016","90","","4589.49","0.16","150","0.1","150","0.1","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C29 H40 Bi F9 N8 O9 S7 -","- C29 H40 Bi F9 N8 O9 S7 -","- C116 H160 Bi4 F36 N32 O36 S28 -","4","1","","Katam, Srinivas; Arruri, Sathyanarayana; Chatla, Naga Babu; Ganesan, Prabusankar","Bismuth(III)dichalcogenones as Highly Active Catalysts in Multiple C-C Bond Formation Reactions","Dalton Trans.","2016","","","","","10.1039/C5DT04738B","","x-ray","1.54184","CuKα","","0.0363","0.0344","","","0.0938","0.096","","","","","","1.0077","","","","has coordinates","206162","2020-10-21","18:00:00",""
"7038308","15.3075","0.0006","13.2282","0.0006","23.4812","0.0009","90","","94.758","0.004","90","","4738.3","0.3","150.01","0.1","150.01","0.1","","","","","","","","8","P 1 21/n 1","-P 2yn (x-z,y,z)","14","","","","- C29 H40 Bi F9 N8 O9 S3 Se4 -","- C29 H40 Bi F9 N8 O9 S3 Se4 -","- C116 H160 Bi4 F36 N32 O36 S12 Se16 -","4","1","","Katam, Srinivas; Arruri, Sathyanarayana; Chatla, Naga Babu; Ganesan, Prabusankar","Bismuth(III)dichalcogenones as Highly Active Catalysts in Multiple C-C Bond Formation Reactions","Dalton Trans.","2016","","","","","10.1039/C5DT04738B","","","1.54184","CuKα","","0.0473","0.0361","","","0.1106","0.1358","","","","","","1.0334","","","","has coordinates","176280","2020-10-21","18:00:00",""
"7038309","27.2866","0.0011","27.1101","0.0006","29.9547","0.0011","90","","117.194","0.005","90","","19709.4","1.5","293","","293","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C27 H37 Bi2 Cl6 N12 S6 -","- C27 H36.5 Bi2 Cl6 N12 S6 -","- C432 H584 Bi32 Cl96 N192 S96 -","16","2","","Katam, Srinivas; Arruri, Sathyanarayana; Chatla, Naga Babu; Ganesan, Prabusankar","Bismuth(III)dichalcogenones as Highly Active Catalysts in Multiple C-C Bond Formation Reactions","Dalton Trans.","2016","","","","","10.1039/C5DT04738B","","x-ray","1.54184","CuKα","","0.0775","0.0457","","","0.1126","0.1377","","","","","","1.0217","","","","has coordinates","192220","2020-10-21","18:00:00",""
"7038310","9.393","0.002","17.461","0.002","11.491","0.002","90","","113.29","0.03","90","","1731.1","0.6","293","","293","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C18 H24 Bi2 Br6 N8 S4 -","- C18 H24 Bi2 Br6 N8 S4 -","- C36 H48 Bi4 Br12 N16 S8 -","2","0.5","","Katam, Srinivas; Arruri, Sathyanarayana; Chatla, Naga Babu; Ganesan, Prabusankar","Bismuth(III)dichalcogenones as Highly Active Catalysts in Multiple C-C Bond Formation Reactions","Dalton Trans.","2016","","","","","10.1039/C5DT04738B","","x-ray","1.54184","CuKα","","0.0575","0.0439","","","0.1054","0.1192","","","","","","0.9962","","","","has coordinates","176280","2020-10-21","18:00:00",""
"7038311","19.00307","0.00017","19.00307","0.00017","12.04528","0.00015","90","","90","","90","","4349.75","0.08","293","","293","","","","","","","","","6","P 42/n c m","-P 4ac 2ac","138","","","","- C28 H40 Bi2 Cl6 N9 S4 -","- C28 H40 Bi2 Cl6 N9 S4 -","- C112 H160 Bi8 Cl24 N36 S16 -","4","","","Katam, Srinivas; Arruri, Sathyanarayana; Chatla, Naga Babu; Ganesan, Prabusankar","Bismuth(III)dichalcogenones as Highly Active Catalysts in Multiple C-C Bond Formation Reactions","Dalton Trans.","2016","","","","","10.1039/C5DT04738B","","x-ray","1.54184","CuKα","","0.0437","0.0347","","","0.0897","0.0973","","","","","","1.0142","","","","has coordinates","176280","2020-10-21","18:00:00",""
"7038312","19.2248","0.0003","19.2248","0.0003","12.2798","0.0003","90","","90","","90","","4538.53","0.15","293","","293","","","","","","","","","6","P 42/n c m","-P 4ac 2ac","138","","","","- C28 H40 Bi2 Br6 N9 S4 -","- C28 H40 Bi2 Br6 N9 S4 -","- C112 H160 Bi8 Br24 N36 S16 -","4","","","Katam, Srinivas; Arruri, Sathyanarayana; Chatla, Naga Babu; Ganesan, Prabusankar","Bismuth(III)dichalcogenones as Highly Active Catalysts in Multiple C-C Bond Formation Reactions","Dalton Trans.","2016","","","","","10.1039/C5DT04738B","","x-ray","1.54184","CuKα","","0.0516","0.0432","","","0.1234","0.1351","","","","","","1.0152","","","","has coordinates","176280","2020-10-21","18:00:00",""
"7038313","19.04444","0.00018","19.04444","0.00018","12.15557","0.00019","90","","90","","90","","4408.71","0.09","293","","293","","","","","","","","","6","P 42/n c m","-P 4ac 2ac","138","","","","- C28 H40 Bi2 Cl6 N9 Se4 -","- C28 H40 Bi2 Cl6 N9 Se4 -","- C112 H160 Bi8 Cl24 N36 Se16 -","4","","","Katam, Srinivas; Arruri, Sathyanarayana; Chatla, Naga Babu; Ganesan, Prabusankar","Bismuth(III)dichalcogenones as Highly Active Catalysts in Multiple C-C Bond Formation Reactions","Dalton Trans.","2016","","","","","10.1039/C5DT04738B","","x-ray","1.54184","CuKα","","0.0336","0.0297","","","0.0761","0.0795","","","","","","1.0133","","","","has coordinates","176280","2020-10-21","18:00:00",""
"7038314","19.2323","0.0002","19.2323","0.0002","12.41","0.0002","90","","90","","90","","4590.23","0.1","293","","293","","","","","","","","","6","P 42/n c m","-P 4ac 2ac","138","","","","- C28 H40 Bi2 Br6 N9 Se4 -","- C28 H40 Bi2 Br6 N9 Se4 -","- C112 H160 Bi8 Br24 N36 Se16 -","4","","","Katam, Srinivas; Arruri, Sathyanarayana; Chatla, Naga Babu; Ganesan, Prabusankar","Bismuth(III)dichalcogenones as Highly Active Catalysts in Multiple C-C Bond Formation Reactions","Dalton Trans.","2016","","","","","10.1039/C5DT04738B","","x-ray","1.54184","CuKα","","0.0342","0.0288","","","0.0707","0.0746","","","","","","0.9943","","","","has coordinates","176280","2020-10-21","18:00:00",""
"7038315","12.54238","0.00019","21.6905","0.0003","12.37785","0.00018","90","","107.268","0.0016","90","","3215.62","0.09","150","","150","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C30 H46 Bi4 Br12 N10 Se4 -","- C30 H46 Bi4 Br12 N10 Se4 -","- C60 H92 Bi8 Br24 N20 Se8 -","2","0.5","","Katam, Srinivas; Arruri, Sathyanarayana; Chatla, Naga Babu; Ganesan, Prabusankar","Bismuth(III)dichalcogenones as Highly Active Catalysts in Multiple C-C Bond Formation Reactions","Dalton Trans.","2016","","","","","10.1039/C5DT04738B","","x-ray","1.54184","CuKα","","0.0561","0.0474","","","0.1259","0.1362","","","","","","0.9831","","","","has coordinates","176280","2020-10-21","18:00:00",""
"7038316","8.0626","0.0004","12.3582","0.0008","13.8011","0.0009","91.927","0.005","99.512","0.005","101.537","0.005","1325.66","0.14","293","","293","","","","","","","","","4","P -1","-P 1","2","","","","- C28 H34 N O8 -","- C28 H34 N O8 -","- C56 H68 N2 O16 -","2","1","","Katam, Srinivas; Arruri, Sathyanarayana; Chatla, Naga Babu; Ganesan, Prabusankar","Bismuth(III)dichalcogenones as Highly Active Catalysts in Multiple C-C Bond Formation Reactions","Dalton Trans.","2016","","","","","10.1039/C5DT04738B","","x-ray","1.54184","CuKα","","0.0713","0.061","","","0.1799","0.1964","","","","","","1.0805","","","","has coordinates","176280","2020-10-21","18:00:00",""
"7038317","17.2917","0.0006","10.6763","0.0004","39.6733","0.0015","90","","91.757","0.004","90","","7320.7","0.5","293","","293","","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","","","- C23 H17 N3 O2 -","- C23 H17 N3 O2 -","- C368 H272 N48 O32 -","16","2","","Katam, Srinivas; Arruri, Sathyanarayana; Chatla, Naga Babu; Ganesan, Prabusankar","Bismuth(III)dichalcogenones as Highly Active Catalysts in Multiple C-C Bond Formation Reactions","Dalton Transactions","2016","45","12","5196","5209","10.1039/C5DT04738B","","x-ray","0.71073","MoKα","","0.1578","0.0776","","","0.2182","0.2932","","","","","","1.0547","","","","has coordinates","206171","2020-10-21","18:00:00",""
"7038318","15.8054","0.0002","10.4751","0.0001","35.7199","0.0005","90","","90","","90","","5913.9","0.13","100","2","100","2","","","","","","","","9","P c a 21","P 2c -2ac","29","","","","- C25 H36 B Br F4 Fe O3 P2 Re -","- C25 H36 B Br F4 Fe O3 P2 Re -","- C200 H288 B8 Br8 F32 Fe8 O24 P16 Re8 -","8","2","","Furneaux, Aliza G.; Piro, Nicholas A.; Hernández Sánchez, Raúl; Gramigna, Kathryn M.; Fey, Natalie; Robinson, Michael J.; Kassel, W. Scott; Nataro, Chip","Spectroscopic, structural and computational analysis of [Re(CO)3(dippM)Br](n+) (dippM = 1,1'-bis(diiso-propylphosphino)metallocene, M = Fe, n = 0 or 1; M = Co, n = 1).","Dalton transactions (Cambridge, England : 2003)","2016","45","11","4819","4827","10.1039/c5dt04721h","","","0.71073","MoKα","","0.0557","0.0456","","","0.0909","0.0943","","","","","","1.082","","","","has coordinates,has disorder","181700","2020-10-21","18:00:00",""
"7038319","19.2513","0.0003","9.513","0.0002","29.6151","0.0005","90","","99.594","0.001","90","","5347.78","0.17","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C25 H36 Br Fe O3 P2 Re -","- C25 H36 Br Fe O3 P2 Re -","- C200 H288 Br8 Fe8 O24 P16 Re8 -","8","1","","Furneaux, Aliza G.; Piro, Nicholas A.; Hernández Sánchez, Raúl; Gramigna, Kathryn M.; Fey, Natalie; Robinson, Michael J.; Kassel, W. Scott; Nataro, Chip","Spectroscopic, structural and computational analysis of [Re(CO)3(dippM)Br](n+) (dippM = 1,1'-bis(diiso-propylphosphino)metallocene, M = Fe, n = 0 or 1; M = Co, n = 1).","Dalton transactions (Cambridge, England : 2003)","2016","45","11","4819","4827","10.1039/c5dt04721h","","","0.71073","MoKα","","0.0349","0.0283","","","0.0603","0.0627","","","","","","1.057","","","","has coordinates,has disorder","181700","2020-10-21","18:00:00",""
"7038320","10.5609","0.0002","15.9498","0.0003","36.5874","0.0006","90","","90","","90","","6162.94","0.19","100","2","100","2","","","","","","","","8","P b c a","-P 2ac 2ab","61","","","","- C25 H36 Br Co F6 O3 P3 Re -","- C25 H36 Br Co F6 O3 P3 Re -","- C200 H288 Br8 Co8 F48 O24 P24 Re8 -","8","1","","Furneaux, Aliza G.; Piro, Nicholas A.; Hernández Sánchez, Raúl; Gramigna, Kathryn M.; Fey, Natalie; Robinson, Michael J.; Kassel, W. Scott; Nataro, Chip","Spectroscopic, structural and computational analysis of [Re(CO)3(dippM)Br](n+) (dippM = 1,1'-bis(diiso-propylphosphino)metallocene, M = Fe, n = 0 or 1; M = Co, n = 1).","Dalton transactions (Cambridge, England : 2003)","2016","45","11","4819","4827","10.1039/c5dt04721h","","","0.71073","MoKα","","0.059","0.0457","","","0.089","0.0933","","","","","","1.209","","","","has coordinates","181700","2020-10-21","18:00:00",""
"7038321","13.3571","0.0002","15.1847","0.0002","18.275","0.0003","90","","103.632","0.001","90","","3602.18","0.09","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C80 H58 N5 O20 Tb3 -","- C76 H48.334 N4 O19 Tb3 -","- C152 H96.668 N8 O38 Tb6 -","2","0.5","","Tong, Yue; Han, Xiao; Huang, Chao; Shao, Zhichao; Guo, Li'an; Wang, Yazhen; Ding, Jie; Hou, Hongwei","Reversible metal-induced emission and chromaticity switching in isostructural Ln-MOFs.","Dalton transactions (Cambridge, England : 2003)","2016","45","9","3702","3705","10.1039/c6dt00067c","","","1.54178","CuKα","","0.0792","0.073","","","0.1939","0.2001","","","","","","1.036","","","","has coordinates,has disorder","177875","2020-10-21","18:00:00",""
"7038322","15.825","0.002","16.59","0.002","17.807","0.003","75.858","0.006","69.56","0.005","68.566","0.005","4041","1","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C158 H114 Cl8 F24 N32 Ni8 O19 -","- C158 H112 Cl8 F24 N32 Ni8 O19 -","- C158 H112 Cl8 F24 N32 Ni8 O19 -","1","0.5","","Speed, Saskia; Casanovas, Berta; Vicente, Ramon","μ1,1-R-phenylcyanamido bridges as a new safe synthetic strategy for ferromagnetic molecular clusters.","Dalton transactions (Cambridge, England : 2003)","2016","45","12","5395","5403","10.1039/c5dt04306a","","","0.71073","MoKα","","0.0452","0.0353","","","0.0844","0.091","","","","","","1.033","","","","has coordinates,has disorder","181651","2020-10-21","18:00:00",""
"7038323","11.4251","0.0011","13.5149","0.0012","14.9081","0.0014","70.643","0.004","84.372","0.004","84.46","0.004","2156.3","0.4","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C84 H68 Cl4 F12 N16 Ni4 O10 -","- C84 H68 Cl4 F12 N16 Ni4 O10 -","- C84 H68 Cl4 F12 N16 Ni4 O10 -","1","0.5","","Speed, Saskia; Casanovas, Berta; Vicente, Ramon","μ1,1-R-phenylcyanamido bridges as a new safe synthetic strategy for ferromagnetic molecular clusters.","Dalton transactions (Cambridge, England : 2003)","2016","45","12","5395","5403","10.1039/c5dt04306a","","","0.71073","MoKα","","0.1205","0.0891","","","0.1699","0.1859","","","","","","1.112","","","","has coordinates","181651","2020-10-21","18:00:00",""
"7038324","12.5027","0.0004","21.7883","0.0007","15.8999","0.0004","90","","107.446","0.002","90","","4132.1","0.2","100","0.1","100","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C82 H68 F16 N16 Ni4 O12 -","- C82 H68 F16 N16 Ni4 O12 -","- C164 H136 F32 N32 Ni8 O24 -","2","0.5","","Speed, Saskia; Casanovas, Berta; Vicente, Ramon","μ1,1-R-phenylcyanamido bridges as a new safe synthetic strategy for ferromagnetic molecular clusters.","Dalton transactions (Cambridge, England : 2003)","2016","45","12","5395","5403","10.1039/c5dt04306a","","","0.71073","MoKα","","0.0847","0.0485","","","0.1062","0.1203","","","","","","1.023","","","","has coordinates","181651","2020-10-21","18:00:00",""
"7038325","18.3697","0.0012","9.6176","0.0006","8.734","0.0006","90","","102.202","0.003","90","","1508.2","0.17","123","","123","","","","","","","","Max Klein","6","P 1 21/c 1","-P 2ybc","14","","","","- C28 H34 N2 O6 P2 S2 -","- C28 H34 N2 O6 P2 S2 -","- C56 H68 N4 O12 P4 S4 -","2","0.5","","Klein, Y. Maximilian; Willgert, Markus; Prescimone, Alessandro; Constable, Edwin C.; Housecroft, Catherine E.","Positional isomerism makes a difference: phosphonic acid anchoring ligands with thienyl spacers in copper(i)-based dye-sensitized solar cells.","Dalton transactions (Cambridge, England : 2003)","2016","45","11","4659","4672","10.1039/c6dt00166a","","","1.54178","CuKα","","0.0473","0.0382","","0.0988","0.0931","0.0988","","","","","","0.9296","","","","has coordinates","181689","2020-10-21","18:00:00",""
"7038326","9.9744","0.001","4.741","0.0005","17.6632","0.0017","90","","91.664","0.004","90","","834.92","0.15","123","","123","","","","","","","","Max Klein","4","P 1 21/n 1","-P 2yn","14","","","","- C20 H16 N2 S2 -","- C20 H16 N2 S2 -","- C40 H32 N4 S4 -","2","0.5","","Klein, Y. Maximilian; Willgert, Markus; Prescimone, Alessandro; Constable, Edwin C.; Housecroft, Catherine E.","Positional isomerism makes a difference: phosphonic acid anchoring ligands with thienyl spacers in copper(i)-based dye-sensitized solar cells.","Dalton transactions (Cambridge, England : 2003)","2016","45","11","4659","4672","10.1039/c6dt00166a","","","1.54178","CuKα","","0.0493","0.0487","","0.0563","0.0541","0.0541","","","","","","1.067","","","","has coordinates,has disorder","181689","2020-10-21","18:00:00",""
"7038327","10.4003","0.0017","10.0931","0.0017","13.361","0.002","90","","100.644","0.003","90","","1378.4","0.4","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","cis, cis, trans-dichloro-diammine-acetamidato-butanoato platinum(IV)","","- C6 H17 Cl2 N3 O3 Pt -","- C6 H17 Cl2 N3 O3 Pt -","- C24 H68 Cl8 N12 O12 Pt4 -","4","1","","Ravera, Mauro; Gabano, Elisabetta; Zanellato, Ilaria; Fregonese, Federico; Pelosi, Giorgio; Platts, James A.; Osella, Domenico","Antiproliferative activity of a series of cisplatin-based Pt(iv)-acetylamido/carboxylato prodrugs.","Dalton transactions (Cambridge, England : 2003)","2016","45","12","5300","5309","10.1039/c5dt04905a","","","0.71073","MoKα","","0.0543","0.0415","","","0.1072","0.1169","","","","","","1.042","","","","has coordinates","181661","2020-10-21","18:00:00",""
"7038328","8.285","0.0004","31.1469","0.0017","13.8987","0.0007","90","","112.888","0.003","90","","3304.2","0.3","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C35 H33 Cu N3 O8 S2 -","- C35 H33 Cu N3 O8 S2 -","- C140 H132 Cu4 N12 O32 S8 -","4","1","","Ma, Zhen; Zhang, Bian; Guedes da Silva, M Fátima C; Silva, Joana; Mendo, Ana Soraia; Baptista, Pedro Viana; Fernandes, Alexandra R.; Pombeiro, Armando J. L.","Synthesis, characterization, thermal properties and antiproliferative potential of copper(ii) 4'-phenyl-terpyridine compounds.","Dalton transactions (Cambridge, England : 2003)","2016","45","12","5339","5355","10.1039/c5dt02744f","","","0.71073","MoKα","","0.0534","0.0377","","","0.0886","0.0964","","","","","","1.041","","","","has coordinates","181662","2020-10-21","18:00:00",""
"7038329","9.5993","0.0006","10.8157","0.0007","14.9401","0.0009","95.613","0.003","90.814","0.004","114.82","0.003","1398.48","0.16","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C35 H25 Cu N3 O4 -","- C35 H25 Cu N3 O4 -","- C70 H50 Cu2 N6 O8 -","2","1","","Ma, Zhen; Zhang, Bian; Guedes da Silva, M Fátima C; Silva, Joana; Mendo, Ana Soraia; Baptista, Pedro Viana; Fernandes, Alexandra R.; Pombeiro, Armando J. L.","Synthesis, characterization, thermal properties and antiproliferative potential of copper(ii) 4'-phenyl-terpyridine compounds.","Dalton transactions (Cambridge, England : 2003)","2016","45","12","5339","5355","10.1039/c5dt02744f","","","0.71073","MoKα","","0.0613","0.0409","","","0.1041","0.1203","","","","","","1.052","","","","has coordinates","181662","2020-10-21","18:00:00",""
"7038330","17.8398","0.0014","9.0056","0.0007","27.0152","0.0017","90","","128.221","0.004","90","","3409.8","0.5","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C35 H25 Cu N3 O6 -","- C35 H25 Cu N3 O6 -","- C140 H100 Cu4 N12 O24 -","4","1","","Ma, Zhen; Zhang, Bian; Guedes da Silva, M Fátima C; Silva, Joana; Mendo, Ana Soraia; Baptista, Pedro Viana; Fernandes, Alexandra R.; Pombeiro, Armando J. L.","Synthesis, characterization, thermal properties and antiproliferative potential of copper(ii) 4'-phenyl-terpyridine compounds.","Dalton transactions (Cambridge, England : 2003)","2016","45","12","5339","5355","10.1039/c5dt02744f","","","0.71073","MoKα","","0.0603","0.0368","","","0.0986","0.1126","","","","","","1.015","","","","has coordinates,has disorder","181662","2020-10-21","18:00:00",""
"7038331","9.0848","0.0003","12.0013","0.0004","15.5065","0.0005","94.097","0.002","104.306","0.003","107.188","0.002","1545.9","0.09","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C36 H29 Cu N3 O7 -","- C36 H29 Cu N3 O7 -","- C72 H58 Cu2 N6 O14 -","2","1","","Ma, Zhen; Zhang, Bian; Guedes da Silva, M Fátima C; Silva, Joana; Mendo, Ana Soraia; Baptista, Pedro Viana; Fernandes, Alexandra R.; Pombeiro, Armando J. L.","Synthesis, characterization, thermal properties and antiproliferative potential of copper(ii) 4'-phenyl-terpyridine compounds.","Dalton transactions (Cambridge, England : 2003)","2016","45","12","5339","5355","10.1039/c5dt02744f","","","0.71073","MoKα","","0.0447","0.0326","","","0.0766","0.0822","","","","","","1.029","","","","has coordinates","181662","2020-10-21","18:00:00",""
"7038332","9.5127","0.0005","10.7981","0.0006","15.2472","0.0009","97.794","0.003","90.711","0.004","113.681","0.003","1417.18","0.14","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C35 H25 Cu N3 O6 -","- C35 H25 Cu N3 O6 -","- C70 H50 Cu2 N6 O12 -","2","1","","Ma, Zhen; Zhang, Bian; Guedes da Silva, M Fátima C; Silva, Joana; Mendo, Ana Soraia; Baptista, Pedro Viana; Fernandes, Alexandra R.; Pombeiro, Armando J. L.","Synthesis, characterization, thermal properties and antiproliferative potential of copper(ii) 4'-phenyl-terpyridine compounds.","Dalton transactions (Cambridge, England : 2003)","2016","45","12","5339","5355","10.1039/c5dt02744f","","","0.71073","MoKα","","0.0434","0.0384","","","0.1148","0.118","","","","","","1.013","","","","has coordinates","181662","2020-10-21","18:00:00",""
"7038333","15.4753","0.0009","4.9036","0.0002","12.9752","0.0005","90","","102.423","0.005","90","","961.57","0.08","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C8 H4 Cu2 N4 O4 -","- C8 H4 Cu2 N4 O4 -","- C32 H16 Cu8 N16 O16 -","4","0.5","","Feng, Chao; Ma, Yu-Heng; Zhang, Duo; Li, Xue-Jing; Zhao, Hong","Highly efficient electrochemiluminescence based on pyrazolecarboxylic metal organic framework.","Dalton transactions (Cambridge, England : 2003)","2016","45","12","5081","5091","10.1039/c5dt04740d","","","0.71073","MoKα","","0.0496","0.0402","","","0.0994","0.1097","","","","","","1.06","","","","has coordinates","181670","2020-10-21","18:00:00",""
"7038334","8.2122","0.0004","9.1298","0.0004","12.1575","0.0005","90","","107.134","0.005","90","","871.06","0.07","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C8 H20 N4 Ni2 O12 -","- C8 H20 N4 Ni2 O12 -","- C16 H40 N8 Ni4 O24 -","2","0.5","","Feng, Chao; Ma, Yu-Heng; Zhang, Duo; Li, Xue-Jing; Zhao, Hong","Highly efficient electrochemiluminescence based on pyrazolecarboxylic metal organic framework.","Dalton transactions (Cambridge, England : 2003)","2016","45","12","5081","5091","10.1039/c5dt04740d","","","0.71073","MoKα","","0.0492","0.039","","","0.0948","0.1019","","","","","","1.104","","","","has coordinates","181670","2020-10-21","18:00:00",""
"7038335","5.1082","0.0003","11.3902","0.0007","9.3932","0.0007","90","","96.02","0.007","90","","543.51","0.06","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C8 H10 Co N4 O6 -","- C8 H10 Co N4 O6 -","- C16 H20 Co2 N8 O12 -","2","0.5","","Feng, Chao; Ma, Yu-Heng; Zhang, Duo; Li, Xue-Jing; Zhao, Hong","Highly efficient electrochemiluminescence based on pyrazolecarboxylic metal organic framework.","Dalton transactions (Cambridge, England : 2003)","2016","45","12","5081","5091","10.1039/c5dt04740d","","","0.71073","MoKα","","0.0488","0.0358","","","0.0767","0.0849","","","","","","1.068","","","","has coordinates","181670","2020-10-21","18:00:00",""
"7038336","12.5491","0.0008","7.1794","0.0005","11.6227","0.0006","90","","98.091","0.006","90","","1036.72","0.11","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C6 H12 N2 Ni O8 -","- C6 H12 N2 Ni O8 -","- C24 H48 N8 Ni4 O32 -","4","1","","Feng, Chao; Ma, Yu-Heng; Zhang, Duo; Li, Xue-Jing; Zhao, Hong","Highly efficient electrochemiluminescence based on pyrazolecarboxylic metal organic framework.","Dalton transactions (Cambridge, England : 2003)","2016","45","12","5081","5091","10.1039/c5dt04740d","","","0.71073","MoKα","","0.0711","0.0607","","","0.1528","0.1646","","","","","","1.018","","","","has coordinates","181670","2020-10-21","18:00:00",""
"7038337","13.0966","0.0016","8.4245","0.001","16.766","0.003","90","","108.24","0.001","90","","1756.9","0.4","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C12 H16 Cu2 N4 O12 -","- C12 H16 Cu2 N4 O12 -","- C48 H64 Cu8 N16 O48 -","4","0.5","","Feng, Chao; Ma, Yu-Heng; Zhang, Duo; Li, Xue-Jing; Zhao, Hong","Highly efficient electrochemiluminescence based on pyrazolecarboxylic metal organic framework.","Dalton transactions (Cambridge, England : 2003)","2016","45","12","5081","5091","10.1039/c5dt04740d","","","0.71073","MoKα","","0.0248","0.0228","","","0.0611","0.0626","","","","","","0.996","","","","has coordinates","181670","2020-10-21","18:00:00",""
"7038338","14.7287","0.0007","7.2556","0.0004","16.8674","0.0007","90","","95.253","0.004","90","","1794.97","0.15","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C12 H16 Co2 N4 O12 -","- C12 H16 Co2 N4 O12 -","- C48 H64 Co8 N16 O48 -","4","0.5","","Feng, Chao; Ma, Yu-Heng; Zhang, Duo; Li, Xue-Jing; Zhao, Hong","Highly efficient electrochemiluminescence based on pyrazolecarboxylic metal organic framework.","Dalton transactions (Cambridge, England : 2003)","2016","45","12","5081","5091","10.1039/c5dt04740d","","","0.71073","MoKα","","0.0368","0.0283","","","0.0745","0.0806","","","","","","1.068","","","","has coordinates","181670","2020-10-21","18:00:00",""
"7038339","11.833","0.002","24.491","0.005","13.695","0.003","90","","113.93","0.03","90","","3627.7","1.5","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C32 H25 Cl N8 O6 Os -","- C32 H25 Cl N8 O6 Os -","- C128 H100 Cl4 N32 O24 Os4 -","4","1","","Ghosh, Prabir; Lahiri, Goutam Kumar","Impact of {Os(pap)2} in fine-tuning the binding modes and non-innocent potential of deprotonated 2,2'-bipyridine-3,3'-diol.","Dalton transactions (Cambridge, England : 2003)","2016","45","12","5240","5252","10.1039/c6dt00013d","","","0.71073","MoKα","","0.0437","0.0399","","","0.0766","0.0784","","","","","","1.135","","","","has coordinates,has disorder","181672","2020-10-21","18:00:00",""
"7038340","11.6947","0.0013","11.8421","0.0019","14.183","0.002","82.178","0.011","65.889","0.009","70.736","0.008","1692.5","0.4","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C32 H25 Cl N8 O6 Os -","- C32 H25 Cl N8 O6 Os -","- C64 H50 Cl2 N16 O12 Os2 -","2","1","","Ghosh, Prabir; Lahiri, Goutam Kumar","Impact of {Os(pap)2} in fine-tuning the binding modes and non-innocent potential of deprotonated 2,2'-bipyridine-3,3'-diol.","Dalton transactions (Cambridge, England : 2003)","2016","45","12","5240","5252","10.1039/c6dt00013d","","","0.7107","MoKα","","0.0309","0.0285","","","0.0672","0.068","","","","","","1.039","","","","has coordinates,has disorder","181672","2020-10-21","18:00:00",""
"7038341","25.706","0.008","14.289","0.004","35.063","0.009","90","","103.528","0.018","90","","12522","6","100","2","100.15","","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C55 H44 Cl4 N14 O10 Os2 -","- C55 H44 Cl4 N14 O10 Os2 -","- C440 H352 Cl32 N112 O80 Os16 -","8","1","","Ghosh, Prabir; Lahiri, Goutam Kumar","Impact of {Os(pap)2} in fine-tuning the binding modes and non-innocent potential of deprotonated 2,2'-bipyridine-3,3'-diol.","Dalton transactions (Cambridge, England : 2003)","2016","45","12","5240","5252","10.1039/c6dt00013d","","","0.7107","MoKα","","0.0629","0.0534","","","0.1171","0.1241","","","","","","1.128","","","","has coordinates","181672","2020-10-21","18:00:00",""
"7038342","13.5983","0.0009","15.1328","0.0011","15.4786","0.0013","85.996","0.004","73.482","0.003","70.687","0.003","2880.9","0.4","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C34 H26 N6 O2 Os -","- C34 H26 N6 O2 Os -","- C136 H104 N24 O8 Os4 -","4","2","","Ghosh, Prabir; Lahiri, Goutam Kumar","Impact of {Os(pap)2} in fine-tuning the binding modes and non-innocent potential of deprotonated 2,2'-bipyridine-3,3'-diol.","Dalton transactions (Cambridge, England : 2003)","2016","45","12","5240","5252","10.1039/c6dt00013d","","","0.7107","MoKα","","0.0315","0.0268","","","0.0764","0.0844","","","","","","1.046","","","","has coordinates","181672","2020-10-21","18:00:00",""
"7038343","12.32","0.0013","13.773","0.0018","13.8321","0.0017","116.261","0.003","91.671","0.003","95.321","0.004","2089.3","0.4","100","2","100.15","","","","","","","","","9","P -1","-P 1","2","","","","- C44 H35 B2 Cl F2 Fe N6 O7.5 P -","- C44 H35 B2 Cl F2 Fe N6 O7.5 P -","- C88 H70 B4 Cl2 F4 Fe2 N12 O15 P2 -","2","1","","Artyushin, Oleg I.; Matveeva, Ekaterina V.; Vologzhanina, Anna V.; Voloshin, Yan Z.","Clathrochelates meet phosphorus. New thio- and phosphorylation reactions of an iron(ii) dichloroclathrochelate precursor and preparation of its first phosphorus(iii)-containing macrobicyclic derivative.","Dalton transactions (Cambridge, England : 2003)","2016","45","12","5328","5333","10.1039/c6dt00164e","","","0.71073","MoKα","","0.0576","0.0432","","","0.0941","0.1012","","","","","","1.048","","","","has coordinates,has disorder","181676","2020-10-21","18:00:00",""
"7038344","15.441","0.002","16.407","0.002","17.367","0.002","90","","90","","90","","4399.8","0.9","100","","100","","","","","","","","","10","P 21 21 21","P 2ac 2ab","19","","","","- C36 H34 B2 Cl5 F2 Fe N6 O8 P S -","- C34 H30 B2 Cl F2 Fe N6 O8 P S -","- C136 H120 B8 Cl4 F8 Fe4 N24 O32 P4 S4 -","4","1","","Artyushin, Oleg I.; Matveeva, Ekaterina V.; Vologzhanina, Anna V.; Voloshin, Yan Z.","Clathrochelates meet phosphorus. New thio- and phosphorylation reactions of an iron(ii) dichloroclathrochelate precursor and preparation of its first phosphorus(iii)-containing macrobicyclic derivative.","Dalton transactions (Cambridge, England : 2003)","2016","45","12","5328","5333","10.1039/c6dt00164e","","","0.71073","MoKα","","0.1366","0.0937","","","0.1754","0.1928","","","","","","1.046","","","","has coordinates,has disorder","181676","2020-10-21","18:00:00",""
"7038345","38.5967","0.0016","38.5967","0.0016","23.9936","0.0015","90","","90","","120","","30955","3","120","","120","","","","","","","","","9","R -3","-R 3","148","","","","- C48.5 H64.5 B2 F2 Fe N6 O10 P2 S2 -","- C42.5 H50.5 B2 F2 Fe N6 O10 P2 S2 -","- C765 H909 B36 F36 Fe18 N108 O180 P36 S36 -","18","","","Artyushin, Oleg I.; Matveeva, Ekaterina V.; Vologzhanina, Anna V.; Voloshin, Yan Z.","Clathrochelates meet phosphorus. New thio- and phosphorylation reactions of an iron(ii) dichloroclathrochelate precursor and preparation of its first phosphorus(iii)-containing macrobicyclic derivative.","Dalton transactions (Cambridge, England : 2003)","2016","45","12","5328","5333","10.1039/c6dt00164e","","","1.54184","CuKα","","0.0714","0.0635","","","0.1746","0.182","","","","","","1.098","","","","has coordinates,has disorder","181676","2020-10-21","18:00:00",""
"7038346","16.4722","0.0003","12.3493","0.0002","30.3441","0.0006","90","","126.47","0.001","90","","4963.81","0.17","120","","120","","","","","","","","","9","P 1 21/c 1","-P 2ybc","14","","","","- C45 H36 B2 Cl7 F2 Fe N6 O6 P -","- C45 H36 B2 Cl7 F2 Fe N6 O6 P -","- C180 H144 B8 Cl28 F8 Fe4 N24 O24 P4 -","4","1","","Artyushin, Oleg I.; Matveeva, Ekaterina V.; Vologzhanina, Anna V.; Voloshin, Yan Z.","Clathrochelates meet phosphorus. New thio- and phosphorylation reactions of an iron(ii) dichloroclathrochelate precursor and preparation of its first phosphorus(iii)-containing macrobicyclic derivative.","Dalton transactions (Cambridge, England : 2003)","2016","45","12","5328","5333","10.1039/c6dt00164e","","","1.54178","CuKα","","0.0579","0.0415","","","0.0879","0.0918","","","","","","0.995","","","","has coordinates","181676","2020-10-21","18:00:00",""
"7038347","28.7669","0.0006","9.4653","0.0002","20.697","0.0005","90","","104.402","0.002","90","","5458.4","0.2","173","2","173","2","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C28.5 H28 B Cu N6.5 O0.5 -","- C28.5 H28 B Cu N6.5 O0.5 -","- C228 H224 B8 Cu8 N52 O4 -","8","1","","Wen, Tian; Chen, Er-Xia; Zhang, De-Xiang; Zhang, Jian","Synthesis of borocarbonitride from a multifunctional Cu(i) boron imidazolate framework.","Dalton transactions (Cambridge, England : 2003)","2016","45","12","5223","5228","10.1039/c5dt04805b","","","1.54184","CuKα","","0.0581","0.047","","","0.1239","0.1338","","","","","","1.035","","","","has coordinates","181677","2020-10-21","18:00:00",""
"7038348","12.3677","0.0012","12.7886","0.0012","14.2243","0.0013","109.825","0.009","115.576","0.009","96.582","0.008","1816.5","0.4","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C72 H104 B2 Cu2 N16 O4 -","- C71 H74 B2 Cu2 N17 O4 -","- C71 H74 B2 Cu2 N17 O4 -","1","0.5","","Wen, Tian; Chen, Er-Xia; Zhang, De-Xiang; Zhang, Jian","Synthesis of borocarbonitride from a multifunctional Cu(i) boron imidazolate framework.","Dalton transactions (Cambridge, England : 2003)","2016","45","12","5223","5228","10.1039/c5dt04805b","","","0.7107","MoKα","","0.1756","0.0939","","","0.1986","0.2503","","","","","","1.014","","","","has coordinates","181677","2020-10-21","18:00:00",""
"7038349","15.8933","0.0005","15.8933","0.0005","30.318","0.0012","90","","90","","90","","7658.2","0.5","100","2","100","2","","","","","","","","5","I 41 c d","I 4bw -2c","110","","","","- C78 H51 Br2 Fe2 N5 -","- C39 H51 Br2 Fe2 N5 -","- C312 H408 Br16 Fe16 N40 -","8","0.5","","Gehring, Henrike; Metzinger, Ramona; Braun, Beatrice; Herwig, Christian; Harder, Sjoerd; Ray, Kallol; Limberg, Christian","An iron(ii) hydride complex of a ligand with two adjacent β-diketiminate binding sites and its reactivity.","Dalton transactions (Cambridge, England : 2003)","2016","45","7","2989","2996","10.1039/c5dt04266f","","","0.71073","MoKα","","0.0469","0.0371","","","0.0631","0.0661","","","","","","1.07","","","","has coordinates","212870","2020-10-21","18:00:00",""
"7038350","27.552","0.003","14.7337","0.0013","20.407","0.002","90","","120.459","0.008","90","","7140.8","1.4","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C78 H104 Fe4 N10 O -","- C78 H104 Fe4 N10 O -","- C312 H416 Fe16 N40 O4 -","4","0.5","","Gehring, Henrike; Metzinger, Ramona; Braun, Beatrice; Herwig, Christian; Harder, Sjoerd; Ray, Kallol; Limberg, Christian","An iron(ii) hydride complex of a ligand with two adjacent β-diketiminate binding sites and its reactivity.","Dalton transactions (Cambridge, England : 2003)","2016","45","7","2989","2996","10.1039/c5dt04266f","","","0.71073","MoKα","","0.1314","0.0684","","","0.1198","0.1404","","","","","","0.968","","","","has coordinates","176317","2020-10-21","18:00:00",""
"7038351","11.9225","0.0013","12.8497","0.0018","14.4515","0.0015","80.894","0.005","73.815","0.004","78.882","0.007","2073.5","0.4","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C43 H57 Fe2 N5 O4 -","- C43 H57 Fe2 N5 O4 -","- C86 H114 Fe4 N10 O8 -","2","1","","Gehring, Henrike; Metzinger, Ramona; Braun, Beatrice; Herwig, Christian; Harder, Sjoerd; Ray, Kallol; Limberg, Christian","An iron(ii) hydride complex of a ligand with two adjacent β-diketiminate binding sites and its reactivity.","Dalton transactions (Cambridge, England : 2003)","2016","45","7","2989","2996","10.1039/c5dt04266f","","","0.71073","MoKα","","0.0554","0.0395","","","0.0923","0.1006","","","","","","1.039","","","","has coordinates","176317","2020-10-21","18:00:00",""
"7038352","8.4739","0.0006","24.7199","0.0014","19.8286","0.0012","90","","95.685","0.002","90","","4133.1","0.5","100","2","100","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C43 H59.97 Br0.03 Fe2 N5 O2.97 -","- C43 H59.9745 Br0.0255 Fe2 N5 O2.9745 -","- C172 H239.898 Br0.102 Fe8 N20 O11.898 -","4","1","","Gehring, Henrike; Metzinger, Ramona; Braun, Beatrice; Herwig, Christian; Harder, Sjoerd; Ray, Kallol; Limberg, Christian","An iron(ii) hydride complex of a ligand with two adjacent β-diketiminate binding sites and its reactivity.","Dalton transactions (Cambridge, England : 2003)","2016","45","7","2989","2996","10.1039/c5dt04266f","","","0.71073","MoKα","","0.0737","0.0541","","","0.1117","0.1194","","","","","","1.065","","","","has coordinates,has disorder","176317","2020-10-21","18:00:00",""
"7038353","10.2646","0.0006","12.3503","0.0007","15.2654","0.0008","71.628","0.001","86.785","0.001","87.163","0.001","1832.65","0.18","100","2","100","","","","","","","","","5","P -1","-P 1","2","","","","- C34 H39 F14 N3 Zn -","- C34 H39 F14 N3 Zn -","- C68 H78 F28 N6 Zn2 -","2","1","","Kulkarni, Naveen V.; Das, Animesh; Ridlen, Shawn G.; Maxfield, Erin; Adiraju, Venkata A. K.; Yousufuddin, Muhammed; Dias, H. V. Rasika","Fluorinated triazapentadienyl ligand supported ethyl zinc(ii) complexes: reaction with dioxygen and catalytic applications in the Tishchenko reaction.","Dalton transactions (Cambridge, England : 2003)","2016","45","11","4896","4906","10.1039/c6dt00257a","","","0.71073","MoKα","","0.0345","0.0297","","","0.0715","0.074","","","","","","1.037","","","","has coordinates","181708","2020-10-21","18:00:00",""
"7038354","11.462","0.002","11.6254","0.0019","14.089","0.002","67.401","0.003","89.479","0.004","63.532","0.003","1521.4","0.4","100","2","100.01","","","","","","","","","7","P -1","-P 1","2","","","","- C48 H30 Br12 F12 N6 O2 Zn2 -","- C48 H30 Br12 F12 N6 O2 Zn2 -","- C48 H30 Br12 F12 N6 O2 Zn2 -","1","0.5","","Kulkarni, Naveen V.; Das, Animesh; Ridlen, Shawn G.; Maxfield, Erin; Adiraju, Venkata A. K.; Yousufuddin, Muhammed; Dias, H. V. Rasika","Fluorinated triazapentadienyl ligand supported ethyl zinc(ii) complexes: reaction with dioxygen and catalytic applications in the Tishchenko reaction.","Dalton transactions (Cambridge, England : 2003)","2016","45","11","4896","4906","10.1039/c6dt00257a","","","0.71073","MoKα","","0.0846","0.0596","","","0.1591","0.1772","","","","","","1.057","","","","has coordinates","181708","2020-10-21","18:00:00",""
"7038355","11.3583","0.001","12.0545","0.0011","12.6061","0.0011","88.972","0.002","79.294","0.002","87.809","0.002","1694.6","0.3","101","2","101.58","","","","","","","","","7","P -1","-P 1","2","","","","- C28 H17 Cl4 F14 N3 O Zn -","- C28 H17 Cl4 F14 N3 O Zn -","- C56 H34 Cl8 F28 N6 O2 Zn2 -","2","1","","Kulkarni, Naveen V.; Das, Animesh; Ridlen, Shawn G.; Maxfield, Erin; Adiraju, Venkata A. K.; Yousufuddin, Muhammed; Dias, H. V. Rasika","Fluorinated triazapentadienyl ligand supported ethyl zinc(ii) complexes: reaction with dioxygen and catalytic applications in the Tishchenko reaction.","Dalton transactions (Cambridge, England : 2003)","2016","45","11","4896","4906","10.1039/c6dt00257a","","","0.71073","MoKα","","0.0718","0.053","","","0.1423","0.1528","","","","","","1.038","","","","has coordinates,has disorder","181708","2020-10-21","18:00:00",""
"7038356","10.8323","0.0017","11.4141","0.0018","12.2715","0.0019","108.695","0.003","96.956","0.003","96.245","0.003","1408.9","0.4","100","2","100","","","","","","","","","6","P -1","-P 1","2","","","","- C44 H54 F28 N6 O4 Zn2 -","- C44 H54 F28 N6 O4 Zn2 -","- C44 H54 F28 N6 O4 Zn2 -","1","0.5","","Kulkarni, Naveen V.; Das, Animesh; Ridlen, Shawn G.; Maxfield, Erin; Adiraju, Venkata A. K.; Yousufuddin, Muhammed; Dias, H. V. Rasika","Fluorinated triazapentadienyl ligand supported ethyl zinc(ii) complexes: reaction with dioxygen and catalytic applications in the Tishchenko reaction.","Dalton transactions (Cambridge, England : 2003)","2016","45","11","4896","4906","10.1039/c6dt00257a","","","0.71073","MoKα","","0.0657","0.0434","","","0.1075","0.1207","","","","","","1.046","","","","has coordinates","181708","2020-10-21","18:00:00",""
"7038357","8.257","0.008","15.475","0.016","8.373","0.008","90","","90.455","0.017","90","","1069.8","1.8","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- H4 K Na O11 V4 -","- H4 K Na O11 V4 -","- H16 K4 Na4 O44 V16 -","4","0.5","","Cui, Meiyan; He, Zhangzhen; Wang, Nannan; Tang, Yingying; Guo, Wenbin; Zhang, Suyun; Wang, Lin; Xiang, Hongping","NaKV4O9·2H2O: a new 2D magnetic compound with a 1/5-depleted square lattice.","Dalton transactions (Cambridge, England : 2003)","2016","45","12","5234","5239","10.1039/c5dt04745e","","","0.71073","MoKα","","0.0497","0.0438","","","0.0967","0.1006","","","","","","1.131","","","","has coordinates","181681","2020-10-21","18:00:00",""
"7038358","8.2946","0.0007","14.4178","0.0013","8.695","0.0008","90","","103.239","0.001","90","","1012.2","0.16","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C8 H7 O9 Sm -","- C8 H7 O9 Sm -","- C32 H28 O36 Sm4 -","4","1","","Tan, Xiao-Feng; Zhou, Jian; Fu, Lianshe; Xiao, Hong-Ping; Zou, Hua-Hong; Tang, Qiuling","A series of new lanthanide fumarates displaying three types of 3-D frameworks.","Dalton transactions (Cambridge, England : 2003)","2016","45","12","5253","5261","10.1039/c6dt00205f","","","0.71073","MoKα","","0.0195","0.0192","","","0.0502","0.0504","","","","","","1.244","","","","has coordinates","181682","2020-10-21","18:00:00",""
"7038359","9.4396","0.0003","14.688","0.0004","14.7437","0.0004","90","","91.271","0.003","90","","2043.69","0.1","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C12 H18 O19 Tb2 -","- C12 H18 O19 Tb2 -","- C48 H72 O76 Tb8 -","4","1","","Tan, Xiao-Feng; Zhou, Jian; Fu, Lianshe; Xiao, Hong-Ping; Zou, Hua-Hong; Tang, Qiuling","A series of new lanthanide fumarates displaying three types of 3-D frameworks.","Dalton transactions (Cambridge, England : 2003)","2016","45","12","5253","5261","10.1039/c6dt00205f","","","0.71073","MoKα","","0.0323","0.0278","","","0.0637","0.0672","","","","","","1.038","","","","has coordinates","181682","2020-10-21","18:00:00",""
"7038360","9.4254","0.0005","14.5461","0.0008","14.7326","0.0008","90","","90.909","0.001","90","","2019.63","0.19","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C12 H20 Dy2 O19 -","- C12 H20 Dy2 O19 -","- C48 H80 Dy8 O76 -","4","1","","Tan, Xiao-Feng; Zhou, Jian; Fu, Lianshe; Xiao, Hong-Ping; Zou, Hua-Hong; Tang, Qiuling","A series of new lanthanide fumarates displaying three types of 3-D frameworks.","Dalton transactions (Cambridge, England : 2003)","2016","45","12","5253","5261","10.1039/c6dt00205f","","","0.71073","MoKα","","0.022","0.0209","","","0.0523","0.0529","","","","","","1.157","","","","has coordinates","181682","2020-10-21","18:00:00",""
"7038361","9.4887","0.0012","8.1086","0.0011","12.2751","0.0016","90","","91.613","0.002","90","","944.1","0.2","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C6 H7 O8 Y -","- C6 H7 O8 Y -","- C24 H28 O32 Y4 -","4","1","","Tan, Xiao-Feng; Zhou, Jian; Fu, Lianshe; Xiao, Hong-Ping; Zou, Hua-Hong; Tang, Qiuling","A series of new lanthanide fumarates displaying three types of 3-D frameworks.","Dalton transactions (Cambridge, England : 2003)","2016","45","12","5253","5261","10.1039/c6dt00205f","","","0.71073","MoKα","","0.0281","0.0269","","","0.0755","0.0762","","","","","","1.143","","","","has coordinates","181682","2020-10-21","18:00:00",""
"7038362","9.4773","0.001","8.1182","0.0009","12.2797","0.0013","90","","91.566","0.002","90","","944.43","0.18","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C6 H7 Ho O8 -","- C6 H7 Ho O8 -","- C24 H28 Ho4 O32 -","4","1","","Tan, Xiao-Feng; Zhou, Jian; Fu, Lianshe; Xiao, Hong-Ping; Zou, Hua-Hong; Tang, Qiuling","A series of new lanthanide fumarates displaying three types of 3-D frameworks.","Dalton transactions (Cambridge, England : 2003)","2016","45","12","5253","5261","10.1039/c6dt00205f","","","0.71073","MoKα","","0.03","0.0285","","","0.0724","0.0734","","","","","","1.124","","","","has coordinates","181682","2020-10-21","18:00:00",""
"7038363","9.4562","0.0009","8.0842","0.0008","12.2466","0.0011","90","","91.454","0.001","90","","935.9","0.15","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C6 H7 Er O8 -","- C6 H7 Er O8 -","- C24 H28 Er4 O32 -","4","1","","Tan, Xiao-Feng; Zhou, Jian; Fu, Lianshe; Xiao, Hong-Ping; Zou, Hua-Hong; Tang, Qiuling","A series of new lanthanide fumarates displaying three types of 3-D frameworks.","Dalton transactions (Cambridge, England : 2003)","2016","45","12","5253","5261","10.1039/c6dt00205f","","","0.71073","MoKα","","0.0207","0.0204","","","0.0489","0.0491","","","","","","1.215","","","","has coordinates","181682","2020-10-21","18:00:00",""
"7038364","9.394","0.004","8.142","0.004","12.262","0.005","90","","91.581","0.008","90","","937.5","0.7","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C6 H7 O8 Tm -","- C6 H7 O8 Tm -","- C24 H28 O32 Tm4 -","4","1","","Tan, Xiao-Feng; Zhou, Jian; Fu, Lianshe; Xiao, Hong-Ping; Zou, Hua-Hong; Tang, Qiuling","A series of new lanthanide fumarates displaying three types of 3-D frameworks.","Dalton transactions (Cambridge, England : 2003)","2016","45","12","5253","5261","10.1039/c6dt00205f","","","0.71073","MoKα","","0.0286","0.0282","","","0.0871","0.0875","","","","","","1.195","","","","has coordinates","181682","2020-10-21","18:00:00",""
"7038365","28.273","0.005","17.334","0.003","23.14","0.004","90","","97.339","0.006","90","","11248","3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C36 H62 Ge P3 Rh -","- C36 H62 Ge P3 Rh -","- C432 H744 Ge12 P36 Rh12 -","12","3","","Ahrens, Theresia; Ahrens, Mike; Braun, Thomas; Braun, Beatrice; Herrmann, Roy","Synthesis of a rhodium(i) germyl complex: a useful tool for C-H and C-F bond activation reactions.","Dalton transactions (Cambridge, England : 2003)","2016","45","11","4716","4728","10.1039/c5dt04845a","","","0.71073","MoKα","","0.114","0.0526","","","0.0814","0.096","","","","","","0.996","","","","has coordinates","181685","2020-10-21","18:00:00",""
"7038366","11.5439","0.0002","22.2499","0.0005","18.1297","0.0003","90","","127.172","0.001","90","","3710.52","0.13","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C36 H60 Ge P3 Rh -","- C36 H60 Ge P3 Rh -","- C144 H240 Ge4 P12 Rh4 -","4","1","","Ahrens, Theresia; Ahrens, Mike; Braun, Thomas; Braun, Beatrice; Herrmann, Roy","Synthesis of a rhodium(i) germyl complex: a useful tool for C-H and C-F bond activation reactions.","Dalton transactions (Cambridge, England : 2003)","2016","45","11","4716","4728","10.1039/c5dt04845a","","","0.71073","MoKα","","0.0298","0.0214","","","0.0449","0.0464","","","","","","0.985","","","","has coordinates,has disorder","181685","2020-10-21","18:00:00",""
"7038367","17.9962","0.0004","10.8071","0.0002","18.715","0.0004","90","","116.882","0.002","90","","3246.5","0.13","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C32 H45 Ge O2 P2 Rh -","- C32 H45 Ge O2 P2 Rh -","- C128 H180 Ge4 O8 P8 Rh4 -","4","1","","Ahrens, Theresia; Ahrens, Mike; Braun, Thomas; Braun, Beatrice; Herrmann, Roy","Synthesis of a rhodium(i) germyl complex: a useful tool for C-H and C-F bond activation reactions.","Dalton transactions (Cambridge, England : 2003)","2016","45","11","4716","4728","10.1039/c5dt04845a","","","0.71073","MoKα","","0.0255","0.0205","","","0.0489","0.05","","","","","","1.018","","","","has coordinates","181685","2020-10-21","18:00:00",""
"7038368","11.5052","0.0014","11.7794","0.0012","15.3559","0.0017","90","","92.7","0.005","90","","2078.8","0.4","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C30 H60 F10 O4 P4 Rh2 -","- C30 H60 F10 O4 P4 Rh2 -","- C60 H120 F20 O8 P8 Rh4 -","2","0.5","","Ahrens, Theresia; Ahrens, Mike; Braun, Thomas; Braun, Beatrice; Herrmann, Roy","Synthesis of a rhodium(i) germyl complex: a useful tool for C-H and C-F bond activation reactions.","Dalton transactions (Cambridge, England : 2003)","2016","45","11","4716","4728","10.1039/c5dt04845a","","","0.71073","MoKα","","0.0235","0.0211","","","0.0571","0.0588","","","","","","1.008","","","","has coordinates","181685","2020-10-21","18:00:00",""
"7038369","10.3168","0.0005","18.2065","0.0009","11.2497","0.0006","90","","95.38","0.002","90","","2103.75","0.18","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C30 H60 F10 O4 P4 Rh2 -","- C30 H60 F10 O4 P4 Rh2 -","- C60 H120 F20 O8 P8 Rh4 -","2","0.5","","Ahrens, Theresia; Ahrens, Mike; Braun, Thomas; Braun, Beatrice; Herrmann, Roy","Synthesis of a rhodium(i) germyl complex: a useful tool for C-H and C-F bond activation reactions.","Dalton transactions (Cambridge, England : 2003)","2016","45","11","4716","4728","10.1039/c5dt04845a","","","0.71073","MoKα","","0.0334","0.0232","","","0.0517","0.0549","","","","","","1.063","","","","has coordinates","181685","2020-10-21","18:00:00",""
"7038370","12.3553","0.0016","12.8366","0.0014","13.8659","0.0015","106.572","0.008","106.534","0.008","94.533","0.009","1989.7","0.4","200","2","200","2","","","","","","","","4","P -1","-P 1","2","2-PG in manuscript","","","- C43 H52 B3 P3 -","- C42.998 H50.302 B3 P3 -","- C85.996 H100.604 B6 P6 -","2","1","","Nakagawa, N.; Derrah, E. J.; Schelwies, M.; Rominger, F.; Trapp, O.; Schaub, T.","Triphos derivatives and diphosphines as ligands in the ruthenium-catalysed alcohol amination with NH3.","Dalton transactions (Cambridge, England : 2003)","2016","45","16","6856","6865","10.1039/c5dt04870b","","","0.71073","MoKα","","0.1253","0.071","","","0.1624","0.1924","","","","","","1.027","","","","has coordinates,has disorder","182716","2020-10-21","18:00:00",""
"7038371","10.6189","0.0006","21.7393","0.0011","18.7855","0.0009","90","","93.5399","0.0015","90","","4328.3","0.4","200","2","200","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","C in manuscript","","","- C48 H52 Cl O P3 Ru -","- C48 H52 Cl O P3 Ru -","- C192 H208 Cl4 O4 P12 Ru4 -","4","1","","Nakagawa, N.; Derrah, E. J.; Schelwies, M.; Rominger, F.; Trapp, O.; Schaub, T.","Triphos derivatives and diphosphines as ligands in the ruthenium-catalysed alcohol amination with NH3.","Dalton transactions (Cambridge, England : 2003)","2016","45","16","6856","6865","10.1039/c5dt04870b","","","0.71073","MoKα","","0.0935","0.0527","","","0.1036","0.1191","","","","","","1.034","","","","has coordinates","182716","2020-10-21","18:00:00",""
"7038372","29.4997","0.0016","51.979","0.003","8.4886","0.0005","90","","90","","90","","13016.1","1.3","200","2","200","2","","","","","","","","7","F d d 2","F 2 -2d","43","D-3 in manuscript","","","- C34.5 H32 Cl3 N O P2 Ru -","- C34.5 H32 Cl3 N O P2 Ru -","- C552 H512 Cl48 N16 O16 P32 Ru16 -","16","1","","Nakagawa, N.; Derrah, E. J.; Schelwies, M.; Rominger, F.; Trapp, O.; Schaub, T.","Triphos derivatives and diphosphines as ligands in the ruthenium-catalysed alcohol amination with NH3.","Dalton transactions (Cambridge, England : 2003)","2016","45","16","6856","6865","10.1039/c5dt04870b","","","0.71073","MoKα","","0.0728","0.0496","","","0.081","0.09","","","","","","1.022","","","","has coordinates","182716","2020-10-21","18:00:00",""
"7038373","11.8254","0.0008","26.2437","0.0018","14.7497","0.001","90","","94.4486","0.0012","90","","4563.7","0.5","200","2","200","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","E in manuscript","","","- C49 H48 Cl3 O2 P3 Ru -","- C49 H48 Cl3 O2 P3 Ru -","- C196 H192 Cl12 O8 P12 Ru4 -","4","1","","Nakagawa, N.; Derrah, E. J.; Schelwies, M.; Rominger, F.; Trapp, O.; Schaub, T.","Triphos derivatives and diphosphines as ligands in the ruthenium-catalysed alcohol amination with NH3.","Dalton transactions (Cambridge, England : 2003)","2016","45","16","6856","6865","10.1039/c5dt04870b","","","0.71073","MoKα","","0.0957","0.0608","","","0.148","0.1667","","","","","","1.048","","","","has coordinates","182716","2020-10-21","18:00:00",""
"7038374","11.64724","0.00029","11.64724","0.00029","11.64724","0.00029","90","","90","","90","","1580.04","0.07","143","","143","","","","","","","","","4","P a -3","-P 2ac 2ab 3","205","","","","- F7 Ge H12 N3 -","- F7 Ge H12 N3 -","- F56 Ge8 H96 N24 -","8","0.333333","","Mel'nikova, S. V.; Molokeev, M. S.; Laptash, N. M.; Misyul, S. V.","A non-typical sequence of phase transitions in (NH4)3GeF7: optical and structural characterization.","Dalton transactions (Cambridge, England : 2003)","2016","45","12","5321","5327","10.1039/c5dt04907e","powder diffraction","x-ray","1.5406","CuKα~1~~2~","","","","","","","","","1.57","2.327","","","","","","","has coordinates","205493","2020-10-21","18:00:00",""
"7038375","11.61353","0.00022","11.60313","0.00024","5.924881","0.000086","90","","90","","90","","798.4","0.03","273","","273","","","","","","","","","3","P b a m","-P 2 2ab","55","","","","- F7 Ge N3 -","- F7 Ge N3 -","- F28 Ge4 N12 -","4","0.5","","Mel'nikova, S. V.; Molokeev, M. S.; Laptash, N. M.; Misyul, S. V.","A non-typical sequence of phase transitions in (NH4)3GeF7: optical and structural characterization.","Dalton transactions (Cambridge, England : 2003)","2016","45","12","5321","5327","10.1039/c5dt04907e","powder diffraction","x-ray","1.5406","CuKα~1~~2~","","","","","","","","","4.03","2.506","","","","","","","has coordinates","205493","2020-10-21","18:00:00",""
"7038376","5.91343","0.00011","11.59227","0.00026","11.61873","0.00025","90","","89.8096","0.0019","90","","796.46","0.03","243","","243","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- F7 Ge N3 -","- F7 Ge N3 -","- F28 Ge4 N12 -","4","1","","Mel'nikova, S. V.; Molokeev, M. S.; Laptash, N. M.; Misyul, S. V.","A non-typical sequence of phase transitions in (NH4)3GeF7: optical and structural characterization.","Dalton transactions (Cambridge, England : 2003)","2016","45","12","5321","5327","10.1039/c5dt04907e","powder diffraction","x-ray","1.5406","CuKα~1~~2~","","","","","","","","","3.45","2.463","","","","","","","has coordinates","205493","2020-10-21","18:00:00",""
"7038377","8.21714","0.00014","8.21714","0.00014","5.93902","0.00012","90","","90","","90","","401.011","0.013","303","","303","","","","","","","","","3","P 4/m b m","-P 4 2ab","127","","","","- F7 Ge N3 -","- F7 Ge H12 N3 -","- F14 Ge2 H24 N6 -","2","0.125","","Mel'nikova, S. V.; Molokeev, M. S.; Laptash, N. M.; Misyul, S. V.","A non-typical sequence of phase transitions in (NH4)3GeF7: optical and structural characterization.","Dalton transactions (Cambridge, England : 2003)","2016","45","12","5321","5327","10.1039/c5dt04907e","powder diffraction","x-ray","1.5406","CuKα~1~~2~","","","","","","","","","4.27","2.573","","","","","","","has coordinates","189056","2020-10-21","18:00:00",""
"7038378","8.3642","0.0004","9.4591","0.0005","14.1094","0.0008","102.92","0.005","92.153","0.004","91.142","0.004","1086.82","0.1","150.02","0.1","150.02","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C25 H36 N O2 -","- C25 H36 N O2 -","- C50 H72 N2 O4 -","2","1","","Coe, Benjamin J.; Sánchez, Sergio","Synthesis and properties of new mononuclear Ru(ii)-based photocatalysts containing 4,4'-diphenyl-2,2'-bipyridyl ligands.","Dalton transactions (Cambridge, England : 2003)","2016","45","12","5210","5222","10.1039/c6dt00039h","","x-ray","0.71073","MoKα","","0.0948","0.0615","","","0.1399","0.1566","","","","","","1.041","","","","has coordinates","181680","2020-10-21","18:00:00",""
"7038379","18.4859","0.0015","11.453","0.0008","10.268","0.0008","90","","99.482","0.008","90","","2144.2","0.3","150.02","0.1","150.02","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C42 H36 F20 N2 O4 -","- C42 H36 F20 N2 O4 -","- C84 H72 F40 N4 O8 -","2","0.5","","Coe, Benjamin J.; Sánchez, Sergio","Synthesis and properties of new mononuclear Ru(ii)-based photocatalysts containing 4,4'-diphenyl-2,2'-bipyridyl ligands.","Dalton transactions (Cambridge, England : 2003)","2016","45","12","5210","5222","10.1039/c6dt00039h","","","0.71073","MoKα","","0.1281","0.0805","","","0.2168","0.2543","","","","","","1.032","","","","has coordinates","181680","2020-10-21","18:00:00",""
"7038380","11.528","0.0004","13.9922","0.0005","17.6494","0.0005","90","","113.646","0.002","90","","2607.86","0.15","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H28 Br N2 P -","- C26 H28 Br N2 P -","- C104 H112 Br4 N8 P4 -","4","1","","Simler, Thomas; Braunstein, Pierre; Danopoulos, Andreas A.","Coinage metal complexes with bridging hybrid phosphine-NHC ligands: synthesis of di- and tetra-nuclear complexes.","Dalton transactions (Cambridge, England : 2003)","2016","45","12","5122","5139","10.1039/c6dt00275g","","","0.71073","MoKα","","0.0827","0.0453","","","0.1137","0.1256","","","","","","0.977","","","","has coordinates","181653","2020-10-21","18:00:00",""
"7038381","31.369","0.004","79.041","0.012","12.8063","0.0018","90","","90","","90","","31752","8","173","2","173","2","","","","","","","","6","F d d 2","F 2 -2d","43","","","","- C52 H78 Br2 Cu2 N4 P2 -","- C52 H78 Br2 Cu2 N4 P2 -","- C1248 H1872 Br48 Cu48 N96 P48 -","24","1.5","","Simler, Thomas; Braunstein, Pierre; Danopoulos, Andreas A.","Coinage metal complexes with bridging hybrid phosphine-NHC ligands: synthesis of di- and tetra-nuclear complexes.","Dalton transactions (Cambridge, England : 2003)","2016","45","12","5122","5139","10.1039/c6dt00275g","","","0.71073","MoKα","","0.0747","0.0666","","","0.1357","0.1387","","","","","","1.134","","","","has coordinates,has disorder","181653","2020-10-21","18:00:00",""
"7038382","11.1931","0.0005","16.2112","0.0004","17.2184","0.0007","90","","106.908","0.002","90","","2989.3","0.2","173","2","173","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C46 H74 Br2 Cl4 Cu2 N4 P2 -","- C46 H74 Br2 Cl4 Cu2 N4 P2 -","- C92 H148 Br4 Cl8 Cu4 N8 P4 -","2","1","","Simler, Thomas; Braunstein, Pierre; Danopoulos, Andreas A.","Coinage metal complexes with bridging hybrid phosphine-NHC ligands: synthesis of di- and tetra-nuclear complexes.","Dalton transactions (Cambridge, England : 2003)","2016","45","12","5122","5139","10.1039/c6dt00275g","","","0.71073","MoKα","","0.0859","0.0571","","","0.1322","0.1438","","","","","","0.974","","","","has coordinates","181653","2020-10-21","18:00:00",""
"7038383","11.3196","0.0008","14.952","0.0011","20.0621","0.0015","110.594","0.002","92.605","0.002","104.763","0.002","3039.2","0.4","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C52 H54 Ag4 Br4 N4 P2 -","- C52 H54 Ag4 Br4 N4 P2 -","- C104 H108 Ag8 Br8 N8 P4 -","2","1","","Simler, Thomas; Braunstein, Pierre; Danopoulos, Andreas A.","Coinage metal complexes with bridging hybrid phosphine-NHC ligands: synthesis of di- and tetra-nuclear complexes.","Dalton transactions (Cambridge, England : 2003)","2016","45","12","5122","5139","10.1039/c6dt00275g","","","0.71073","MoKα","","0.0815","0.0589","","","0.1642","0.1753","","","","","","1.08","","","","has coordinates","181653","2020-10-21","18:00:00",""
"7038384","15.2182","0.0005","17.0941","0.0006","11.0454","0.0004","90","","102.751","0.001","90","","2802.5","0.17","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C26 H43 B Br N2 P -","- C26 H43 B Br N2 P -","- C104 H172 B4 Br4 N8 P4 -","4","1","","Simler, Thomas; Braunstein, Pierre; Danopoulos, Andreas A.","Coinage metal complexes with bridging hybrid phosphine-NHC ligands: synthesis of di- and tetra-nuclear complexes.","Dalton transactions (Cambridge, England : 2003)","2016","45","12","5122","5139","10.1039/c6dt00275g","","","0.71073","MoKα","","0.0724","0.0428","","","0.1012","0.1129","","","","","","1.021","","","","has coordinates,has disorder","181653","2020-10-21","18:00:00",""
"7038385","9.861","0.0004","10.6359","0.0005","13.6462","0.0006","112.067","0.001","95.9","0.001","97.743","0.001","1295.81","0.1","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C22 H35 Au2 Cl2 N2 P -","- C22 H35 Au2 Cl2 N2 P -","- C44 H70 Au4 Cl4 N4 P2 -","2","1","","Simler, Thomas; Braunstein, Pierre; Danopoulos, Andreas A.","Coinage metal complexes with bridging hybrid phosphine-NHC ligands: synthesis of di- and tetra-nuclear complexes.","Dalton transactions (Cambridge, England : 2003)","2016","45","12","5122","5139","10.1039/c6dt00275g","","","0.71073","MoKα","","0.0453","0.0322","","","0.0848","0.0905","","","","","","1.044","","","","has coordinates","181653","2020-10-21","18:00:00",""
"7038386","18.1207","0.0013","13.5275","0.0009","24.0052","0.0017","90","","94.636","0.002","90","","5865.1","0.7","173","2","173","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C54 H58 Ag2 B2 Cl4 F8 N4 P2 -","- C54 H58 Ag2 B2 Cl4 F8 N4 P2 -","- C216 H232 Ag8 B8 Cl16 F32 N16 P8 -","4","1","","Simler, Thomas; Braunstein, Pierre; Danopoulos, Andreas A.","Coinage metal complexes with bridging hybrid phosphine-NHC ligands: synthesis of di- and tetra-nuclear complexes.","Dalton transactions (Cambridge, England : 2003)","2016","45","12","5122","5139","10.1039/c6dt00275g","","","0.71073","MoKα","","0.1378","0.0721","","","0.1474","0.1722","","","","","","1.016","","","","has coordinates","181653","2020-10-21","18:00:00",""
"7038387","12.9281","0.0003","14.7485","0.0005","15.6314","0.0004","79.243","0.002","69.194","0.002","87.054","0.002","2736.76","0.14","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C52 H54 Ag2 B2 F8 N4 P2 -","- C52 H54 Ag2 B2 F8 N4 P2 -","- C104 H108 Ag4 B4 F16 N8 P4 -","2","1","","Simler, Thomas; Braunstein, Pierre; Danopoulos, Andreas A.","Coinage metal complexes with bridging hybrid phosphine-NHC ligands: synthesis of di- and tetra-nuclear complexes.","Dalton transactions (Cambridge, England : 2003)","2016","45","12","5122","5139","10.1039/c6dt00275g","","","0.71073","MoKα","","0.1296","0.0628","","","0.1638","0.1894","","","","","","0.944","","","","has coordinates,has disorder","181653","2020-10-21","18:00:00",""
"7038388","22.5544","0.0005","15.0639","0.0003","39.3803","0.0007","90","","120.103","0.001","90","","11575.2","0.4","173","2","173","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C45 H72 Ag2 B2 Cl2 F8 N4 P2 -","- C45 H72 Ag2 B2 Cl2 F8 N4 P2 -","- C360 H576 Ag16 B16 Cl16 F64 N32 P16 -","8","2","","Simler, Thomas; Braunstein, Pierre; Danopoulos, Andreas A.","Coinage metal complexes with bridging hybrid phosphine-NHC ligands: synthesis of di- and tetra-nuclear complexes.","Dalton transactions (Cambridge, England : 2003)","2016","45","12","5122","5139","10.1039/c6dt00275g","","","0.71073","MoKα","","0.1625","0.0793","","","0.2031","0.2371","","","","","","1.002","","","","has coordinates,has disorder","181653","2020-10-21","18:00:00",""
"7038389","16.9634","0.0009","12.2088","0.0006","18.6928","0.0009","90","","98.4413","0.0008","90","","3829.4","0.3","296","","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C33 H39 N3 Nd2 O15 -","- C33 H39 N3 Nd2 O15 -","- C132 H156 N12 Nd8 O60 -","4","1","","Puentes, Roberto; Torres, Julia; Kremer, Carlos; Cano, Joan; Lloret, Francesc; Capucci, Davide; Bacchi, Alessia","Mononuclear and polynuclear complexes ligated by an iminodiacetic acid derivative: synthesis, structure, solution studies and magnetic properties.","Dalton transactions (Cambridge, England : 2003)","2016","45","12","5356","5373","10.1039/c5dt05060j","","","0.71073","MoKα","","0.0335","0.0254","","","0.0583","0.0616","","","","","","1.038","","","","has coordinates","181658","2020-10-21","18:00:00",""
"7038390","16.9299","0.0013","12.1579","0.0009","18.5679","0.0014","90","","99.059","0.0012","90","","3774.2","0.5","296","2","296.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C33 H39 Eu2 N3 O15 -","- C33 H39 Eu2 N3 O15 -","- C132 H156 Eu8 N12 O60 -","4","1","","Puentes, Roberto; Torres, Julia; Kremer, Carlos; Cano, Joan; Lloret, Francesc; Capucci, Davide; Bacchi, Alessia","Mononuclear and polynuclear complexes ligated by an iminodiacetic acid derivative: synthesis, structure, solution studies and magnetic properties.","Dalton transactions (Cambridge, England : 2003)","2016","45","12","5356","5373","10.1039/c5dt05060j","","","0.71073","MoKα","","0.0513","0.0327","","","0.0632","0.0693","","","","","","1.045","","","","has coordinates","181658","2020-10-21","18:00:00",""
"7038391","16.915","0.0018","12.1431","0.0013","18.533","0.002","90","","99.1347","0.0017","90","","3758.4","0.7","296","2","296.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C33 H39 Gd2 N3 O15 -","- C33 H39 Gd2 N3 O15 -","- C132 H156 Gd8 N12 O60 -","4","1","","Puentes, Roberto; Torres, Julia; Kremer, Carlos; Cano, Joan; Lloret, Francesc; Capucci, Davide; Bacchi, Alessia","Mononuclear and polynuclear complexes ligated by an iminodiacetic acid derivative: synthesis, structure, solution studies and magnetic properties.","Dalton transactions (Cambridge, England : 2003)","2016","45","12","5356","5373","10.1039/c5dt05060j","","","0.71073","MoKα","","0.0546","0.0371","","","0.0902","0.0997","","","","","","1.03","","","","has coordinates","181658","2020-10-21","18:00:00",""
"7038393","8.7513","0.0007","9.839","0.0008","26.352","0.002","90","","95.003","0.001","90","","2260.4","0.3","293","2","293","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C22 H25 La N2 O9 -","- C22 H25 La N2 O9 -","- C88 H100 La4 N8 O36 -","4","1","","Puentes, Roberto; Torres, Julia; Kremer, Carlos; Cano, Joan; Lloret, Francesc; Capucci, Davide; Bacchi, Alessia","Mononuclear and polynuclear complexes ligated by an iminodiacetic acid derivative: synthesis, structure, solution studies and magnetic properties.","Dalton transactions (Cambridge, England : 2003)","2016","45","12","5356","5373","10.1039/c5dt05060j","","","0.71073","MoKα","","0.0386","0.0265","","","0.0541","0.0597","","","","","","1.026","","","","has coordinates","181658","2020-10-21","18:00:00",""
"7038394","6.699","0.004","19.681","0.012","22.622","0.014","90","","90","","90","","2983","3","293","2","293","2","","","","","","","","5","P n a a","-P 2ac 2bc","56","","","","- C22 H32 Cu N2 O12 -","- C22 H32 Cu N2 O12 -","- C88 H128 Cu4 N8 O48 -","4","0.5","","Puentes, Roberto; Torres, Julia; Kremer, Carlos; Cano, Joan; Lloret, Francesc; Capucci, Davide; Bacchi, Alessia","Mononuclear and polynuclear complexes ligated by an iminodiacetic acid derivative: synthesis, structure, solution studies and magnetic properties.","Dalton transactions (Cambridge, England : 2003)","2016","45","12","5356","5373","10.1039/c5dt05060j","","","0.71073","MoKα","","0.1015","0.0714","","","0.1951","0.2184","","","","","","1.044","","","","has coordinates","181658","2020-10-21","18:00:00",""
"7038395","21.43","0.01","6.733","0.004","25.26","0.01","90","","104.56","0.01","90","","3528","3","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C24 H41 Cu Er N2 O18 -","- C24 H41 Cu Er N2 O18 -","- C96 H164 Cu4 Er4 N8 O72 -","4","1","","Puentes, Roberto; Torres, Julia; Kremer, Carlos; Cano, Joan; Lloret, Francesc; Capucci, Davide; Bacchi, Alessia","Mononuclear and polynuclear complexes ligated by an iminodiacetic acid derivative: synthesis, structure, solution studies and magnetic properties.","Dalton transactions (Cambridge, England : 2003)","2016","45","12","5356","5373","10.1039/c5dt05060j","","","0.71073","MoKα","","0.156","0.1046","","","0.2335","0.2609","","","","","","1.017","","","","has coordinates","181658","2020-10-21","18:00:00",""
"7038396","10.035","0.007","13.495","0.009","16.844","0.012","93.993","0.015","91.198","0.014","94.372","0.014","2268","3","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C45 H31 Dy F9 N3 O8 -","- C45 H31 Dy F9 N3 O8 -","- C90 H62 Dy2 F18 N6 O16 -","2","1","","Zhang, Sheng; Ke, Hongshan; Shi, Quan; Zhang, Jangwei; Yang, Qi; Wei, Qing; Xie, Gang; Wang, Wenyuan; Yang, Desuo; Chen, Sanping","Dysprosium(iii) complexes with a square-antiprism configuration featuring mononuclear single-molecule magnetic behaviours based on different β-diketonate ligands and auxiliary ligands.","Dalton transactions (Cambridge, England : 2003)","2016","45","12","5310","5320","10.1039/c6dt00219f","","","0.71073","MoKα","","0.3406","0.0963","","","0.1244","0.1831","","","","","","0.956","","","","has coordinates,has disorder","181669","2020-10-21","18:00:00",""
"7038397","22.748","0.006","10.942","0.003","21.315","0.005","90","","108.438","0.006","90","","5033","2","293","2","293","2","","","","","","","","6","P 1 2/c 1","-P 2yc","13","","","","- C52 H33 Dy F9 N2 O6 -","- C52 H33 Dy F9 N2 O6 -","- C208 H132 Dy4 F36 N8 O24 -","4","1","","Zhang, Sheng; Ke, Hongshan; Shi, Quan; Zhang, Jangwei; Yang, Qi; Wei, Qing; Xie, Gang; Wang, Wenyuan; Yang, Desuo; Chen, Sanping","Dysprosium(iii) complexes with a square-antiprism configuration featuring mononuclear single-molecule magnetic behaviours based on different β-diketonate ligands and auxiliary ligands.","Dalton transactions (Cambridge, England : 2003)","2016","45","12","5310","5320","10.1039/c6dt00219f","","","0.71073","MoKα","","0.1265","0.059","","","0.1358","0.1741","","","","","","1.036","","","","has coordinates","181669","2020-10-21","18:00:00",""
"7038398","11.2264","0.0015","13.5298","0.0017","14.1233","0.0018","94.868","0.002","101.031","0.002","102.06","0.002","2041.6","0.5","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C36 H29 Dy F12 N2 O8 -","- C36 H29 Dy F12 N2 O8 -","- C72 H58 Dy2 F24 N4 O16 -","2","1","","Zhang, Sheng; Ke, Hongshan; Shi, Quan; Zhang, Jangwei; Yang, Qi; Wei, Qing; Xie, Gang; Wang, Wenyuan; Yang, Desuo; Chen, Sanping","Dysprosium(iii) complexes with a square-antiprism configuration featuring mononuclear single-molecule magnetic behaviours based on different β-diketonate ligands and auxiliary ligands.","Dalton transactions (Cambridge, England : 2003)","2016","45","12","5310","5320","10.1039/c6dt00219f","","","0.71073","MoKα","","0.0613","0.0463","","","0.1251","0.1462","","","","","","0.941","","","","has coordinates","181669","2020-10-21","18:00:00",""
"7038399","20.985","0.003","9.749","0.002","16.858","0.002","90","","111.33","0.02","90","","3212.6","1","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C25 H37 Br4 N5 O2 Zn2 -","- C25 H37 Br4 N5 O2 Zn2 -","- C100 H148 Br16 N20 O8 Zn8 -","4","1","","Visscher, A.; Bachmann, S.; Schnegelsberg, C.; Teuteberg, T.; Mata, R. A.; Stalke, D.","Highly selective and sensitive fluorescence detection of Zn(2+) and Cd(2+) ions by using an acridine sensor.","Dalton transactions (Cambridge, England : 2003)","2016","45","13","5689","5699","10.1039/c6dt00557h","","","0.71073","MoKα","","0.0236","0.0204","","","0.0528","0.0542","","","","","","1.046","","","","has coordinates","181648","2020-10-21","18:00:00",""
"7038400","11.135","0.002","13.332","0.002","13.562","0.003","90","","90","","90","","2013.3","0.6","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","4,5-bis(dimethylaminemethylene)acridine cadmium bromide","","- C19 H23 Br2 Cd N3 -","- C19 H23 Br2 Cd N3 -","- C76 H92 Br8 Cd4 N12 -","4","1","","Visscher, A.; Bachmann, S.; Schnegelsberg, C.; Teuteberg, T.; Mata, R. A.; Stalke, D.","Highly selective and sensitive fluorescence detection of Zn(2+) and Cd(2+) ions by using an acridine sensor.","Dalton transactions (Cambridge, England : 2003)","2016","45","13","5689","5699","10.1039/c6dt00557h","","","0.56086","AgKα","","0.0129","0.0121","","","0.0261","0.0263","","","","","","1.014","","","","has coordinates","181648","2020-10-21","18:00:00",""
"7038401","8.449","0.002","20.113","0.002","21.008","0.003","90","","101.42","0.02","90","","3499.3","1.1","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","4,5-bis(dimethylaminemethylene)acridine tetrakis(?-acetate) bis(acetate) zinc(II)","","- C31 H41 N3 O12 Zn3 -","- C31 H41 N3 O12 Zn3 -","- C124 H164 N12 O48 Zn12 -","4","1","","Visscher, A.; Bachmann, S.; Schnegelsberg, C.; Teuteberg, T.; Mata, R. A.; Stalke, D.","Highly selective and sensitive fluorescence detection of Zn(2+) and Cd(2+) ions by using an acridine sensor.","Dalton transactions (Cambridge, England : 2003)","2016","45","13","5689","5699","10.1039/c6dt00557h","","","0.56086","AgKα","","0.0252","0.0214","","","0.0526","0.0544","","","","","","1.037","","","","has coordinates","181648","2020-10-21","18:00:00",""
"7038402","16.7","0.003","11.503","0.002","10.836","0.002","90","","90","","90","","2081.6","0.6","100","2","100","2","","","","","","","","5","P n a 21","P 2c -2n","33","","4,5-bis(N,N-dimethylaminemethylene)acridine hydrochloride","","- C20 H29 Cl2 N3 O -","- C20 H29 Cl2 N3 O -","- C80 H116 Cl8 N12 O4 -","4","1","","Visscher, A.; Bachmann, S.; Schnegelsberg, C.; Teuteberg, T.; Mata, R. A.; Stalke, D.","Highly selective and sensitive fluorescence detection of Zn(2+) and Cd(2+) ions by using an acridine sensor.","Dalton transactions (Cambridge, England : 2003)","2016","45","13","5689","5699","10.1039/c6dt00557h","","","1.54178","CuKα","","0.0193","0.0184","","","0.0433","0.0436","","","","","","1.04","","","","has coordinates","181648","2020-10-21","18:00:00",""
"7038403","18.3864","0.0006","10.944","0.0003","15.1682","0.0005","90","","111.1","0.004","90","","2847.52","0.17","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","BisPt","","- C66 H60 Cl4 N6 Pt2 -","- C66 H60 Cl4 N6 Pt2 -","- C132 H120 Cl8 N12 Pt4 -","2","0.5","","Gonell, S.; Poyatos, M.; Peris, E.","Pincer-CNC mononuclear, dinuclear and heterodinuclear Au(iii) and Pt(ii) complexes supported by mono- and poly-N-heterocyclic carbenes: synthesis and photophysical properties.","Dalton transactions (Cambridge, England : 2003)","2016","45","13","5549","5556","10.1039/c6dt00198j","","","0.71073","MoKα","","0.0378","0.0346","","","0.0816","0.0837","","","","","","1.113","","","","has coordinates","181650","2020-10-21","18:00:00",""
"7038404","14.1591","0.0019","14.3016","0.0019","15.0587","0.0019","111.384","0.002","114.428","0.001","98.357","0.004","2422.4","0.6","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C66 H122 Cd2 O30 Ti4 -","- C66 H102 Cd2 O30 Ti4 -","- C66 H102 Cd2 O30 Ti4 -","1","0.5","","Liu, Jin-Xiu; Zeng, Xian-Chong; Zhang, Lei; Zhang, Jian","A new cadmium-doped titanium-oxo cluster with stable photocatalytic H2 evolution properties.","Dalton transactions (Cambridge, England : 2003)","2016","45","11","4501","4503","10.1039/c6dt00333h","","","0.71073","MoKα","","0.0873","0.0772","","","0.2596","0.2679","","","","","","1.072","","","","has coordinates","181695","2020-10-21","18:00:00",""
"7038405","13.3774","0.0007","17.0481","0.0007","17.4322","0.0007","118.491","0.004","99.961","0.004","100.101","0.004","3285.2","0.3","130","2","130","2","","","","","","","","6","P -1","-P 1","2","","","","- C114 H110 Cl Fe3 N6 O22 -","- C84 H44 Fe3 O16 -","- C84 H44 Fe3 O16 -","1","0.5","","Vinogradov, A. V.; Milichko, V. A.; Zaake-Hertling, H; Aleksovska, A.; Gruschinski, S.; Schmorl, S.; Kersting, B.; Zolnhofer, E. M.; Sutter, J.; Meyer, K.; Lönnecke, P; Hey-Hawkins, E","Unique anisotropic optical properties of a highly stable metal-organic framework based on trinuclear iron(iii) secondary building units linked by tetracarboxylic linkers with an anthracene core.","Dalton transactions (Cambridge, England : 2003)","2016","45","17","7244","7249","10.1039/c6dt00390g","","","0.71073","MoKα","","0.0817","0.0541","","","0.1647","0.1772","","","","","","1.035","","","","has coordinates","182748","2020-10-21","18:00:00",""
"7038406","16.6678","0.0002","19.118","0.0002","17.7773","0.0003","90","","111.521","0.001","90","","5269.89","0.13","223","2","223","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C58 H42 B F20 N2 P Zr -","- C58 H42 B F20 N2 P Zr -","- C232 H168 B4 F80 N8 P4 Zr4 -","4","1","","Normand, Adrien T.; Daniliuc, Constantin G.; Kehr, Gerald; Le Gendre, Pierre; Erker, Gerhard","Direct P-functionalization of azobenzene by a cationic phosphidozirconocene complex.","Dalton transactions (Cambridge, England : 2003)","2016","45","9","3711","3714","10.1039/c6dt00416d","","","0.71073","MoKα","","0.1034","0.0743","","","0.1334","0.1547","","","","","","1.131","","","","has coordinates,has disorder","177870","2020-10-21","18:00:00",""
"7038407","8.7851","0.0003","19.9807","0.0008","16.4334","0.0005","90","","93.982","0.001","90","","2877.63","0.17","100","2","100","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C34 H41 N2 P Zr -","- C34 H41 N2 P Zr -","- C136 H164 N8 P4 Zr4 -","4","1","","Normand, Adrien T.; Daniliuc, Constantin G.; Kehr, Gerald; Le Gendre, Pierre; Erker, Gerhard","Direct P-functionalization of azobenzene by a cationic phosphidozirconocene complex.","Dalton transactions (Cambridge, England : 2003)","2016","45","9","3711","3714","10.1039/c6dt00416d","","","0.71073","MoKα","","0.0241","0.0217","","","0.0474","0.0483","","","","","","1.042","","","","has coordinates,has disorder","177870","2020-10-21","18:00:00",""
"7038408","15.407","0.003","15.984","0.003","18.826","0.003","90","","90","","90","","4636.2","1.5","120","2","120","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C30 H23 N2 O2 Pt -","- C30 H23 N2 O2 Pt -","- C240 H184 N16 O16 Pt8 -","8","1","","Yamamura, M.; Takizawa, H.; Gobo, Y.; Nabeshima, T.","Stable neutral radicals of planar N2O2-type dipyrrin platinum complexes: hybrid radicals of the delocalized organic π-orbital and platinum d-orbital.","Dalton transactions (Cambridge, England : 2003)","2016","45","16","6834","6838","10.1039/c5dt05039a","","","0.71073","MoKα","","0.0558","0.0324","","","0.0714","0.0851","","","","","","1.043","","","","has coordinates","182709","2020-10-21","18:00:00",""
"7038409","9.3473","0.0004","12.3349","0.0005","20.0843","0.0008","90","","90","","90","","2315.68","0.16","120","2","120","2","","","","","","","","5","P n 21 a","P -2ac -2n","33","","","","- C29 H29 N2 O2 Pt -","- C29 H29 N2 O2 Pt -","- C116 H116 N8 O8 Pt4 -","4","1","","Yamamura, M.; Takizawa, H.; Gobo, Y.; Nabeshima, T.","Stable neutral radicals of planar N2O2-type dipyrrin platinum complexes: hybrid radicals of the delocalized organic π-orbital and platinum d-orbital.","Dalton transactions (Cambridge, England : 2003)","2016","45","16","6834","6838","10.1039/c5dt05039a","","","0.71073","MoKα","","0.0396","0.0319","","","0.0727","0.0763","","","","","","1.019","","","","has coordinates","182709","2020-10-21","18:00:00",""
"7038410","14.64","0.012","16.039","0.016","8.43","0.008","90","","90","","90","","1979","3","293","2","293","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C6 H20 I5 N2 Sb -","- C6 H20 I5 N2 Sb -","- C24 H80 I20 N8 Sb4 -","4","0.5","","Mao, Chen-Yu; Liao, Wei-Qiang; Wang, Zhong-Xia; Li, Peng-Fei; Lv, Xing-Hui; Ye, Heng-Yun; Zhang, Yi","Structural characterization, phase transition and switchable dielectric behaviors in a new zigzag chain organic-inorganic hybrid compound: [C3H7NH3]2SbI5.","Dalton transactions (Cambridge, England : 2003)","2016","45","12","5229","5233","10.1039/c5dt04939c","","","0.71073","MoKα","","0.0433","0.0409","","","0.0809","0.0821","","","","","","1.088","","","","has coordinates","181655","2020-10-21","18:00:00",""
"7038411","15.645","0.011","8.386","0.005","29.6","0.02","90","","90","","90","","3883","4","203","2","203","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C6 H20 I5 N2 Sb -","- C6 H20 I5 N2 Sb -","- C48 H160 I40 N16 Sb8 -","8","1","","Mao, Chen-Yu; Liao, Wei-Qiang; Wang, Zhong-Xia; Li, Peng-Fei; Lv, Xing-Hui; Ye, Heng-Yun; Zhang, Yi","Structural characterization, phase transition and switchable dielectric behaviors in a new zigzag chain organic-inorganic hybrid compound: [C3H7NH3]2SbI5.","Dalton transactions (Cambridge, England : 2003)","2016","45","12","5229","5233","10.1039/c5dt04939c","","","0.71073","MoKα","","0.0997","0.089","","","0.1959","0.2025","","","","","","1.106","","","","has coordinates","181655","2020-10-21","18:00:00",""
"7038412","12.398","0.003","33.496","0.007","12.868","0.003","90","","96.64","0.03","90","","5308","2","100","2","100","2","","","","","","","","7","P 1 21/m 1","-P 2yb","11","","","","- C75 H66 Cl2.8 Fe4 Mn0 N12 O14 -","- C75 H66 Cl2.8 Fe4 N12 O14 -","- C150 H132 Cl5.6 Fe8 N24 O28 -","2","0.5","","Huxley, Michael; Coghlan, Campbell J.; Burgun, Alexandre; Tarzia, Andrew; Sumida, Kenji; Sumby, Christopher J.; Doonan, Christian J.","Site-specific metal and ligand substitutions in a microporous Mn(2+)-based metal-organic framework.","Dalton transactions (Cambridge, England : 2003)","2016","45","10","4431","4438","10.1039/c5dt05023e","","","0.71073","Synchrotron","","0.1288","0.1077","","","0.3112","0.3279","","","","","","1.301","","","","has coordinates,has disorder","177795","2020-10-21","18:00:00",""
"7038413","12.345","0.003","33.257","0.007","12.934","0.003","90","","96.66","0.03","90","","5274","2","100","2","100","2","","","","","","","","7","P 1 21/m 1","-P 2yb","11","","","","- C75 H66 Cl0.8 Fe0.95 Mn2.45 N12 O13.2 -","- C75 H66 Cl0.8 Fe0.95 Mn2.45 N12 O13.2 -","- C150 H132 Cl1.6 Fe1.9 Mn4.9 N24 O26.4 -","2","0.5","","Huxley, Michael; Coghlan, Campbell J.; Burgun, Alexandre; Tarzia, Andrew; Sumida, Kenji; Sumby, Christopher J.; Doonan, Christian J.","Site-specific metal and ligand substitutions in a microporous Mn(2+)-based metal-organic framework.","Dalton transactions (Cambridge, England : 2003)","2016","45","10","4431","4438","10.1039/c5dt05023e","","","0.71073","Synchrotron","","0.1147","0.1036","","","0.2907","0.2994","","","","","","1.051","","","","has coordinates,has disorder","177795","2020-10-21","18:00:00",""
"7038414","12.1095","0.0018","12.9895","0.0019","13.821","0.002","103.14","0.001","106.991","0.002","93.635","0.002","2004.9","0.5","153","2","153","2","","","","","","","","8","P -1","-P 1","2","","","","- C39 H41 Cl2 F6 Ir N5 O2 P -","- C38.997 H41 Cl2.003 F6 Ir N4.997 O2 P -","- C77.994 H82 Cl4.006 F12 Ir2 N9.994 O4 P2 -","2","1","","He, Lei; Wang, Zhen; Duan, Lian; Yang, Chunpeng; Tang, Ruiren; Song, Xiangzhi; Pan, Chunyue","Toward fluorine-free blue-emitting cationic iridium complexes: to generate emission from the cyclometalating ligands with enhanced triplet energy.","Dalton transactions (Cambridge, England : 2003)","2016","45","13","5604","5613","10.1039/c5dt04728e","","","0.71073","MoKα","","0.0265","0.0252","","","0.0615","0.0624","","","","","","1.004","","","","has coordinates,has disorder","198632","2020-10-21","18:00:00",""
"7038415","8.5285","0.0011","14.713","0.002","11.1401","0.0016","90","","96.481","0.006","90","","1388.9","0.3","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H38 Cl4 O2 Rh2 -","- C24 H38 Cl4 O2 Rh2 -","- C48 H76 Cl8 O4 Rh4 -","2","0.5","","Lucas, Stephanie J.; Lord, Rianne M.; Basri, Aida M.; Allison, Simon J.; Phillips, Roger M.; Blacker, A. John; McGowan, Patrick C.","Increasing anti-cancer activity with longer tether lengths of group 9 Cp* complexes.","Dalton transactions (Cambridge, England : 2003)","2016","45","16","6812","6815","10.1039/c6dt00186f","","","0.71073","MoKα","","0.0338","0.0279","","","0.0681","0.0728","","","","","","1.074","","","","has coordinates","182727","2020-10-21","18:00:00",""
"7038416","32.386","0.006","8.8826","0.0014","20.365","0.004","90","","125.685","0.012","90","","4758.4","1.7","150","2","150.15","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C37.8 H65.6 Cl7.6 O2 Rh2 -","- C37.8 H65.6 Cl7.6 O2 Rh2 -","- C151.2 H262.4 Cl30.4 O8 Rh8 -","4","0.5","","Lucas, Stephanie J.; Lord, Rianne M.; Basri, Aida M.; Allison, Simon J.; Phillips, Roger M.; Blacker, A. John; McGowan, Patrick C.","Increasing anti-cancer activity with longer tether lengths of group 9 Cp* complexes.","Dalton transactions (Cambridge, England : 2003)","2016","45","16","6812","6815","10.1039/c6dt00186f","","","0.71073","MoKα","","0.0385","0.0346","","","0.0883","0.0915","","","","","","1.053","","","","has coordinates,has disorder","182727","2020-10-21","18:00:00",""
"7038417","7.4947","0.0008","8.6089","0.0009","17.0185","0.0019","87.753","0.005","77.318","0.005","72.771","0.005","1022.8","0.19","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C19 H28 Cl2 N O Rh -","- C19 H28 Cl2 N O Rh -","- C38 H56 Cl4 N2 O2 Rh2 -","2","1","","Lucas, Stephanie J.; Lord, Rianne M.; Basri, Aida M.; Allison, Simon J.; Phillips, Roger M.; Blacker, A. John; McGowan, Patrick C.","Increasing anti-cancer activity with longer tether lengths of group 9 Cp* complexes.","Dalton transactions (Cambridge, England : 2003)","2016","45","16","6812","6815","10.1039/c6dt00186f","","","0.71073","MoKα","","0.0284","0.0226","","","0.05","0.0524","","","","","","1.05","","","","has coordinates","182727","2020-10-21","18:00:00",""
"7038418","24.353","0.003","16.197","0.002","14.631","0.002","90","","93.344","0.007","90","","5761.3","1.3","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C27 H33 Cl4 Ir N2 O2 -","- C27 H33 Cl4 Ir N2 O2 -","- C216 H264 Cl32 Ir8 N16 O16 -","8","2","","Lucas, Stephanie J.; Lord, Rianne M.; Basri, Aida M.; Allison, Simon J.; Phillips, Roger M.; Blacker, A. John; McGowan, Patrick C.","Increasing anti-cancer activity with longer tether lengths of group 9 Cp* complexes.","Dalton transactions (Cambridge, England : 2003)","2016","45","16","6812","6815","10.1039/c6dt00186f","","","0.71073","MoKα","","0.0374","0.0257","","","0.0605","0.0688","","","","","","1.095","","","","has coordinates,has disorder","182727","2020-10-21","18:00:00",""
"7038419","14.686","0.002","9.2437","0.0012","19.177","0.002","90","","90","","90","","2603.3","0.6","150","2","150","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C26 H31 Cl2 N2 O2 Rh -","- C26 H31 Cl2 N2 O2 Rh -","- C104 H124 Cl8 N8 O8 Rh4 -","4","1","","Lucas, Stephanie J.; Lord, Rianne M.; Basri, Aida M.; Allison, Simon J.; Phillips, Roger M.; Blacker, A. John; McGowan, Patrick C.","Increasing anti-cancer activity with longer tether lengths of group 9 Cp* complexes.","Dalton transactions (Cambridge, England : 2003)","2016","45","16","6812","6815","10.1039/c6dt00186f","","","0.71073","MoKα","","0.1023","0.0676","","","0.1233","0.1384","","","","","","1.171","","","","has coordinates","182727","2020-10-21","18:00:00",""
"7038420","17.7025","0.0016","17.7025","0.0016","9.883","0.002","90","","90","","120","","2682.2","0.6","293","2","293","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- Cd4 Cs Dy9 Se18 -","- Cd4.02 Cs Dy8.98 Se18 -","- Cd12.06 Cs3 Dy26.94 Se54 -","3","0.166667","","Lin, Hua; Chen, Hong; Liu, Peng-Fei; Yu, Ju-Song; Zheng, Yu-Jun; Ali, Khan Muhammad; Chen, Ling; Wu, Li-Ming","Syntheses, structures, physical and electronic properties of quaternary semiconductors: Cs[RE9Cd4Se18] (RE = Tb-Tm).","Dalton transactions (Cambridge, England : 2003)","2016","45","13","5775","5782","10.1039/c6dt00193a","","","0.71073","MoKα","","0.0361","0.0347","","","0.0928","0.0939","","","","","","1.063","","","","has coordinates","181647","2020-10-21","18:00:00",""
"7038421","17.584","0.005","17.584","0.005","9.825","0.004","90","","90","","120","","2630.9","1.5","293","2","293","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- Cd4 Cs Er9 Se18 -","- Cd4.02 Cs Er8.98 Se18 -","- Cd12.06 Cs3 Er26.94 Se54 -","3","0.166667","","Lin, Hua; Chen, Hong; Liu, Peng-Fei; Yu, Ju-Song; Zheng, Yu-Jun; Ali, Khan Muhammad; Chen, Ling; Wu, Li-Ming","Syntheses, structures, physical and electronic properties of quaternary semiconductors: Cs[RE9Cd4Se18] (RE = Tb-Tm).","Dalton transactions (Cambridge, England : 2003)","2016","45","13","5775","5782","10.1039/c6dt00193a","","","0.71073","MoKα","","0.0347","0.0335","","","0.093","0.0938","","","","","","1.113","","","","has coordinates","181647","2020-10-21","18:00:00",""
"7038422","17.635","0.006","17.635","0.006","9.857","0.005","90","","90","","120","","2654.8","1.9","293","2","293","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- Cd4 Cs Ho9 Se18 -","- Cd4.02 Cs Ho8.98 Se18 -","- Cd12.06 Cs3 Ho26.94 Se54 -","3","0.166667","","Lin, Hua; Chen, Hong; Liu, Peng-Fei; Yu, Ju-Song; Zheng, Yu-Jun; Ali, Khan Muhammad; Chen, Ling; Wu, Li-Ming","Syntheses, structures, physical and electronic properties of quaternary semiconductors: Cs[RE9Cd4Se18] (RE = Tb-Tm).","Dalton transactions (Cambridge, England : 2003)","2016","45","13","5775","5782","10.1039/c6dt00193a","","","0.71073","MoKα","","0.0549","0.0516","","","0.1112","0.1129","","","","","","1.006","","","","has coordinates","181647","2020-10-21","18:00:00",""
"7038423","17.7731","0.0011","17.7731","0.0011","9.918","0.0014","90","","90","","120","","2713.2","0.5","293","2","293","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- Cd4 Cs Se18 Tb9 -","- Cd4.02 Cs Se18 Tb8.98 -","- Cd12.06 Cs3 Se54 Tb26.94 -","3","0.166667","","Lin, Hua; Chen, Hong; Liu, Peng-Fei; Yu, Ju-Song; Zheng, Yu-Jun; Ali, Khan Muhammad; Chen, Ling; Wu, Li-Ming","Syntheses, structures, physical and electronic properties of quaternary semiconductors: Cs[RE9Cd4Se18] (RE = Tb-Tm).","Dalton transactions (Cambridge, England : 2003)","2016","45","13","5775","5782","10.1039/c6dt00193a","","","0.71073","MoKα","","0.0402","0.0385","","","0.0934","0.095","","","","","","1.059","","","","has coordinates","181647","2020-10-21","18:00:00",""
"7038424","17.489","0.006","17.489","0.006","9.765","0.005","90","","90","","120","","2586.6","1.8","293","2","293","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- Cd4 Cs Se18 Tm9 -","- Cd4.02 Cs Se18 Tm8.98 -","- Cd12.06 Cs3 Se54 Tm26.94 -","3","0.166667","","Lin, Hua; Chen, Hong; Liu, Peng-Fei; Yu, Ju-Song; Zheng, Yu-Jun; Ali, Khan Muhammad; Chen, Ling; Wu, Li-Ming","Syntheses, structures, physical and electronic properties of quaternary semiconductors: Cs[RE9Cd4Se18] (RE = Tb-Tm).","Dalton transactions (Cambridge, England : 2003)","2016","45","13","5775","5782","10.1039/c6dt00193a","","","0.71073","MoKα","","0.0402","0.0378","","","0.1008","0.1021","","","","","","1.109","","","","has coordinates","181647","2020-10-21","18:00:00",""
"7038425","8.8422","0.0005","16.9864","0.001","11.989","0.0007","90","","97.252","0.003","90","","1786.31","0.18","149","2","148.8","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H19 F2 Fe P -","- C22 H19 F2 Fe P -","- C88 H76 F8 Fe4 P4 -","4","1","","Mallov, Ian; Stephan, Douglas W.","Ferrocenyl-derived electrophilic phosphonium cations (EPCs) as Lewis acid catalysts.","Dalton transactions (Cambridge, England : 2003)","2016","45","13","5568","5574","10.1039/c6dt00105j","","","0.71073","MoKα","","0.0633","0.0418","","","0.1006","0.113","","","","","","1.0426","","","","has coordinates","181628","2020-10-21","18:00:00",""
"7038426","13.6165","0.0013","15.8962","0.0016","22.542","0.002","90","","122.611","0.006","90","","4110","0.7","149","2","149","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C46 H19 B F21 Fe P -","- C46 H19 B F21 Fe P -","- C184 H76 B4 F84 Fe4 P4 -","4","1","","Mallov, Ian; Stephan, Douglas W.","Ferrocenyl-derived electrophilic phosphonium cations (EPCs) as Lewis acid catalysts.","Dalton transactions (Cambridge, England : 2003)","2016","45","13","5568","5574","10.1039/c6dt00105j","","","0.71073","MoKα","","0.2255","0.0641","","","0.0739","0.1056","","","","","","0.9751","","","","has coordinates","181628","2020-10-21","18:00:00",""
"7038427","14.2251","0.0008","16.3787","0.001","17.2783","0.0011","74.451","0.002","87.233","0.002","89.862","0.002","3873.6","0.4","149","2","149.03","","","","","","","","","6","P -1","-P 1","2","","","","- C85.5 H31.5 B2 F42 Fe P2 -","- C85.5 H31.5 B2 F42 Fe P2 -","- C171 H63 B4 F84 Fe2 P4 -","2","1","","Mallov, Ian; Stephan, Douglas W.","Ferrocenyl-derived electrophilic phosphonium cations (EPCs) as Lewis acid catalysts.","Dalton transactions (Cambridge, England : 2003)","2016","45","13","5568","5574","10.1039/c6dt00105j","","","0.71073","MoKα","","0.0887","0.0471","","","0.091","0.1075","","","","","","1.0311","","","","has coordinates,has disorder","181628","2020-10-21","18:00:00",""
"7038428","9.2968","0.0019","12.614","0.003","17.635","0.004","92.82","0.011","95.745","0.009","110.566","0.008","1918.6","0.8","150","2","150.05","","","","","","","","","7","P -1","-P 1","2","","","","- C41.5 H17 B Cl F20 Fe P -","- C41.5 H17 B Cl F20 Fe P -","- C83 H34 B2 Cl2 F40 Fe2 P2 -","2","1","","Mallov, Ian; Stephan, Douglas W.","Ferrocenyl-derived electrophilic phosphonium cations (EPCs) as Lewis acid catalysts.","Dalton transactions (Cambridge, England : 2003)","2016","45","13","5568","5574","10.1039/c6dt00105j","","","0.71073","MoKα","","0.1363","0.0557","","","0.0754","0.1029","","","","","","0.9571","","","","has coordinates,has disorder","181628","2020-10-21","18:00:00",""
"7038429","9.6117","0.0008","11.6787","0.001","10.5243","0.001","90","","111.025","0.002","90","","1102.72","0.17","100","","100","","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C20 H38 N2 O P Ru -","- C20 H38 N2 O P Ru -","- C40 H76 N4 O2 P2 Ru2 -","2","0.5","","Wambach, T. C.; Lenczyk, C.; Patrick, B. O.; Fryzuk, M. D.","Synthesis and coordination chemistry of tridentate (PNN) amine enamido phosphine ligands with ruthenium.","Dalton transactions (Cambridge, England : 2003)","2016","45","13","5583","5589","10.1039/c6dt00214e","","","0.71073","MoKα","","0.0298","0.0244","","","0.056","0.0586","","","","","","1.048","","","","has coordinates,has disorder","181633","2020-10-21","18:00:00",""
"7038430","8.9505","0.0003","18.1602","0.0007","9.8838","0.0003","90","","110.41","0.0017","90","","1505.69","0.09","173","2","173","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C30 H43 Au Cl N3 -","- C30 H43 Au Cl N3 -","- C60 H86 Au2 Cl2 N6 -","2","0.5","","Paisley, Nathan R.; Lui, Melanie W.; McDonald, Robert; Ferguson, Michael J.; Rivard, Eric","Structurally versatile phosphine and amine donors constructed from N-heterocyclic olefin units.","Dalton transactions (Cambridge, England : 2003)","2016","45","24","9860","9870","10.1039/c6dt00299d","","","1.54178","CuKα","","0.0624","0.0606","","","0.1222","0.123","","","","","","1.359","","","","has coordinates,has disorder","185381","2020-10-21","18:00:00",""
"7038431","10.3535","0.0003","12.5649","0.0004","18.9321","0.0006","72.828","0.002","78.6634","0.0019","89.231","0.002","2304.57","0.13","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C50 H68 Cl N2 P Pd -","- C50 H68 Cl N2 P Pd -","- C100 H136 Cl2 N4 P2 Pd2 -","2","1","","Paisley, Nathan R.; Lui, Melanie W.; McDonald, Robert; Ferguson, Michael J.; Rivard, Eric","Structurally versatile phosphine and amine donors constructed from N-heterocyclic olefin units.","Dalton transactions (Cambridge, England : 2003)","2016","45","24","9860","9870","10.1039/c6dt00299d","","","1.54178","CuKα","","0.0713","0.0566","","","0.1416","0.1547","","","","","","1.058","","","","has coordinates","185381","2020-10-21","18:00:00",""
"7038432","14.057","0.0004","25.1328","0.0006","22.7564","0.0007","90","","102.1","0.0018","90","","7861","0.4","173","2","173","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C80 H63 Au B F30 N2 P -","- C80 H63 Au B F30 N2 P -","- C320 H252 Au4 B4 F120 N8 P4 -","4","1","","Paisley, Nathan R.; Lui, Melanie W.; McDonald, Robert; Ferguson, Michael J.; Rivard, Eric","Structurally versatile phosphine and amine donors constructed from N-heterocyclic olefin units.","Dalton transactions (Cambridge, England : 2003)","2016","45","24","9860","9870","10.1039/c6dt00299d","","","1.54178","CuKα","","0.0571","0.042","","","0.1036","0.1156","","","","","","1.014","","","","has coordinates,has disorder","185381","2020-10-21","18:00:00",""
"7038433","10.7033","0.0002","18.7813","0.0003","17.9853","0.0003","90","","92.3243","0.0008","90","","3612.46","0.11","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C40 H50 B N2 P -","- C40 H50 B N2 P -","- C160 H200 B4 N8 P4 -","4","1","","Paisley, Nathan R.; Lui, Melanie W.; McDonald, Robert; Ferguson, Michael J.; Rivard, Eric","Structurally versatile phosphine and amine donors constructed from N-heterocyclic olefin units.","Dalton transactions (Cambridge, England : 2003)","2016","45","24","9860","9870","10.1039/c6dt00299d","","","1.54178","CuKα","","0.0399","0.0371","","","0.1007","0.1037","","","","","","1.038","","","","has coordinates,has disorder","185381","2020-10-21","18:00:00",""
"7038434","42.175","0.0006","42.175","0.0006","10.4933","0.0002","90","","90","","120","","16164.2","0.4","173","2","173","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C35.5 H57.5 B N2 P -","- C34 H54 B N2 P -","- C612 H972 B18 N36 P18 -","18","1","","Paisley, Nathan R.; Lui, Melanie W.; McDonald, Robert; Ferguson, Michael J.; Rivard, Eric","Structurally versatile phosphine and amine donors constructed from N-heterocyclic olefin units.","Dalton transactions (Cambridge, England : 2003)","2016","45","24","9860","9870","10.1039/c6dt00299d","","","1.54178","CuKα","","0.0566","0.0497","","","0.1343","0.1428","","","","","","1.042","","","","has coordinates","185381","2020-10-21","18:00:00",""
"7038435","10.4781","0.0004","16.3684","0.0006","20.9256","0.0007","90","","101.663","0.0004","90","","3514.8","0.2","193","2","193","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C34 H51 Au Cl N2 P -","- C34 H51 Au Cl N2 P -","- C136 H204 Au4 Cl4 N8 P4 -","4","1","","Paisley, Nathan R.; Lui, Melanie W.; McDonald, Robert; Ferguson, Michael J.; Rivard, Eric","Structurally versatile phosphine and amine donors constructed from N-heterocyclic olefin units.","Dalton transactions (Cambridge, England : 2003)","2016","45","24","9860","9870","10.1039/c6dt00299d","","","0.71073","MoKα","","0.0252","0.02","","","0.0516","0.0532","","","","","","1.086","","","","has coordinates","185381","2020-10-21","18:00:00",""
"7038436","10.7803","0.0002","16.7651","0.0003","39.0845","0.0006","90","","95.7606","0.0009","90","","7028.2","0.2","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C40 H47 N2 P -","- C40 H47 N2 P -","- C320 H376 N16 P8 -","8","2","","Paisley, Nathan R.; Lui, Melanie W.; McDonald, Robert; Ferguson, Michael J.; Rivard, Eric","Structurally versatile phosphine and amine donors constructed from N-heterocyclic olefin units.","Dalton transactions (Cambridge, England : 2003)","2016","45","24","9860","9870","10.1039/c6dt00299d","","","1.54178","CuKα","","0.0568","0.0461","","","0.1214","0.1292","","","","","","1.032","","","","has coordinates,has disorder","185381","2020-10-21","18:00:00",""
"7038437","9.7488","0.0006","20.0872","0.0013","20.8717","0.0014","90","","98.4585","0.001","90","","4042.8","0.5","193","2","193","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C43.5 H51 Au Cl N2 P -","- C40 H47 Au Cl N2 P -","- C160 H188 Au4 Cl4 N8 P4 -","4","1","","Paisley, Nathan R.; Lui, Melanie W.; McDonald, Robert; Ferguson, Michael J.; Rivard, Eric","Structurally versatile phosphine and amine donors constructed from N-heterocyclic olefin units.","Dalton transactions (Cambridge, England : 2003)","2016","45","24","9860","9870","10.1039/c6dt00299d","","","0.71073","MoKα","","0.0433","0.0316","","","0.0787","0.0855","","","","","","1.024","","","","has coordinates","185381","2020-10-21","18:00:00",""
"7038438","9.3774","0.0002","20.2169","0.0004","15.0009","0.0003","90","","100.092","0.0011","90","","2799.9","0.1","173","2","173","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C30 H43 N3 -","- C30 H43 N3 -","- C120 H172 N12 -","4","1","","Paisley, Nathan R.; Lui, Melanie W.; McDonald, Robert; Ferguson, Michael J.; Rivard, Eric","Structurally versatile phosphine and amine donors constructed from N-heterocyclic olefin units.","Dalton transactions (Cambridge, England : 2003)","2016","45","24","9860","9870","10.1039/c6dt00299d","","","1.54178","CuKα","","0.0452","0.0417","","","0.1115","0.1151","","","","","","1.075","","","","has coordinates","185381","2020-10-21","18:00:00",""
"7038439","21.3382","0.0006","18.3587","0.0005","33.3817","0.0009","90","","93.4423","0.0018","90","","13053.4","0.6","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C34 H51 N2 P -","- C34 H51 N2 P -","- C544 H816 N32 P16 -","16","4","","Paisley, Nathan R.; Lui, Melanie W.; McDonald, Robert; Ferguson, Michael J.; Rivard, Eric","Structurally versatile phosphine and amine donors constructed from N-heterocyclic olefin units.","Dalton transactions (Cambridge, England : 2003)","2016","45","24","9860","9870","10.1039/c6dt00299d","","","1.54178","CuKα","","0.107","0.0698","","","0.173","0.2012","","","","","","1.053","","","","has coordinates","185381","2020-10-21","18:00:00",""
"7038440","9.8274","0.0012","11.8989","0.0015","13.0901","0.0016","70.615","0.002","68.839","0.002","87.156","0.002","1342.3","0.3","148","2","148","2","","","","","","","","4","P -1","-P 1","2","","","","- C31 H29 O3 P2 -","- C31 H29 O3 P2 -","- C62 H58 O6 P4 -","2","1","","Matveeva, Anna G.; Vologzhanina, Anna V.; Goryunov, Evgenii I.; Aysin, Rinat R.; Pasechnik, Margarita P.; Matveev, Sergey V.; Godovikov, Ivan A.; Safiulina, Alfiya M.; Brel, Valery K.","Extraction and coordination studies of a carbonyl-phosphine oxide scorpionate ligand with uranyl and lanthanide(iii) nitrates: structural, spectroscopic and DFT characterization of the complexes.","Dalton transactions (Cambridge, England : 2003)","2016","45","12","5162","5179","10.1039/c5dt04963f","","","0.71073","MoKα","","0.0678","0.0474","","","0.1117","0.1251","","","","","","1.018","","","","has coordinates","181673","2020-10-21","18:00:00",""
"7038441","11.328","0.0007","13.8253","0.0009","19.7227","0.0013","90","","104.445","0.001","90","","2991.2","0.3","100","","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C28 H26 N2 O11 P2 U -","- C28 H26 N2 O11 P2 U -","- C112 H104 N8 O44 P8 U4 -","4","1","","Matveeva, Anna G.; Vologzhanina, Anna V.; Goryunov, Evgenii I.; Aysin, Rinat R.; Pasechnik, Margarita P.; Matveev, Sergey V.; Godovikov, Ivan A.; Safiulina, Alfiya M.; Brel, Valery K.","Extraction and coordination studies of a carbonyl-phosphine oxide scorpionate ligand with uranyl and lanthanide(iii) nitrates: structural, spectroscopic and DFT characterization of the complexes.","Dalton transactions (Cambridge, England : 2003)","2016","45","12","5162","5179","10.1039/c5dt04963f","","","0.71073","MoKα","","0.0498","0.0275","","","0.0504","0.0571","","","","","","1.041","","","","has coordinates","181673","2020-10-21","18:00:00",""
"7038442","18.2266","0.0007","17.8372","0.0007","19.0939","0.0008","90","","90","","90","","6207.6","0.4","100","","100","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C58 H58 N2 O19 P4 U2 -","- C58 H58 N2 O18.96 P4 U2 -","- C232 H232 N8 O75.84 P16 U8 -","4","0.5","","Matveeva, Anna G.; Vologzhanina, Anna V.; Goryunov, Evgenii I.; Aysin, Rinat R.; Pasechnik, Margarita P.; Matveev, Sergey V.; Godovikov, Ivan A.; Safiulina, Alfiya M.; Brel, Valery K.","Extraction and coordination studies of a carbonyl-phosphine oxide scorpionate ligand with uranyl and lanthanide(iii) nitrates: structural, spectroscopic and DFT characterization of the complexes.","Dalton transactions (Cambridge, England : 2003)","2016","45","12","5162","5179","10.1039/c5dt04963f","","","0.71073","MoKα","","0.087","0.065","","","0.1463","0.1578","","","","","","1.042","","","","has coordinates,has disorder","181673","2020-10-21","18:00:00",""
"7038443","13.444","0.008","17.849","0.009","26.571","0.015","90","","90.709","0.014","90","","6376","6","120","","120","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C60.67 H59 La N5.33 O15 P4 -","- C60.66 H59.02 La N5.33 O15 P4 -","- C242.64 H236.08 La4 N21.32 O60 P16 -","4","0.5","","Matveeva, Anna G.; Vologzhanina, Anna V.; Goryunov, Evgenii I.; Aysin, Rinat R.; Pasechnik, Margarita P.; Matveev, Sergey V.; Godovikov, Ivan A.; Safiulina, Alfiya M.; Brel, Valery K.","Extraction and coordination studies of a carbonyl-phosphine oxide scorpionate ligand with uranyl and lanthanide(iii) nitrates: structural, spectroscopic and DFT characterization of the complexes.","Dalton transactions (Cambridge, England : 2003)","2016","45","12","5162","5179","10.1039/c5dt04963f","","","0.71073","MoKα","","0.1823","0.0985","","","0.2071","0.2451","","","","","","1.03","","","","has coordinates,has disorder","181673","2020-10-21","18:00:00",""
"7038444","13.4706","0.0008","17.8919","0.001","26.4711","0.0015","90","","91.378","0.001","90","","6378.1","0.6","120","","120","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C62 H61 N6 Nd O15 P4 -","- C62 H61 N6 Nd O15 P4 -","- C248 H244 N24 Nd4 O60 P16 -","4","0.5","","Matveeva, Anna G.; Vologzhanina, Anna V.; Goryunov, Evgenii I.; Aysin, Rinat R.; Pasechnik, Margarita P.; Matveev, Sergey V.; Godovikov, Ivan A.; Safiulina, Alfiya M.; Brel, Valery K.","Extraction and coordination studies of a carbonyl-phosphine oxide scorpionate ligand with uranyl and lanthanide(iii) nitrates: structural, spectroscopic and DFT characterization of the complexes.","Dalton transactions (Cambridge, England : 2003)","2016","45","12","5162","5179","10.1039/c5dt04963f","","","0.71073","MoKα","","0.0261","0.0233","","","0.0585","0.0598","","","","","","1.059","","","","has coordinates,has disorder","181673","2020-10-21","18:00:00",""
"7038445","12.59","0.007","13.51","0.01","19.148","0.015","90.574","0.016","96.836","0.016","111.923","0.017","2995","4","120","","120","","","","","","","","","6","P -1","-P 1","2","","","","- C58 H58 N3 Nd O16 P4 -","- C58 H58 N3 Nd O16 P4 -","- C116 H116 N6 Nd2 O32 P8 -","2","1","","Matveeva, Anna G.; Vologzhanina, Anna V.; Goryunov, Evgenii I.; Aysin, Rinat R.; Pasechnik, Margarita P.; Matveev, Sergey V.; Godovikov, Ivan A.; Safiulina, Alfiya M.; Brel, Valery K.","Extraction and coordination studies of a carbonyl-phosphine oxide scorpionate ligand with uranyl and lanthanide(iii) nitrates: structural, spectroscopic and DFT characterization of the complexes.","Dalton transactions (Cambridge, England : 2003)","2016","45","12","5162","5179","10.1039/c5dt04963f","","","0.71073","MoKα","","0.1646","0.078","","","0.1326","0.1516","","","","","","1.023","","","","has coordinates,has disorder","181673","2020-10-21","18:00:00",""
"7038446","12.3347","0.0005","10.0906","0.0004","28.5707","0.0013","90","","101.824","0.001","90","","3480.6","0.3","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C36 H32 Cu2 N6 O4 S2 Zn -","- C36 H26 Cu2 N6 O4 S2 Zn -","- C144 H104 Cu8 N24 O16 S8 Zn4 -","4","1","","Hazari, Alokesh; Das, Lakshmi Kanta; Bauzá, Antonio; Frontera, Antonio; Ghosh, Ashutosh","Exploring the coordinative adaptation and molecular shapes of trinuclear CuM(II) (M = Zn/Cd) complexes derived from salen type Schiff bases: structural and theoretical studies.","Dalton transactions (Cambridge, England : 2003)","2016","45","13","5730","5740","10.1039/c5dt04941e","","","0.71073","MoKα","","0.0581","0.038","","","0.107","0.1189","","","","","","1.054","","","","has coordinates","181645","2020-10-21","18:00:00",""
"7038447","10.631","0.003","11.708","0.003","15.231","0.004","84.236","0.003","86.873","0.003","70.058","0.003","1772.7","0.8","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C36 H40 Cu2 N6 O4 S2 Zn -","- C36 H40 Cu2 N6 O4 S2 Zn -","- C72 H80 Cu4 N12 O8 S4 Zn2 -","2","1","","Hazari, Alokesh; Das, Lakshmi Kanta; Bauzá, Antonio; Frontera, Antonio; Ghosh, Ashutosh","Exploring the coordinative adaptation and molecular shapes of trinuclear CuM(II) (M = Zn/Cd) complexes derived from salen type Schiff bases: structural and theoretical studies.","Dalton transactions (Cambridge, England : 2003)","2016","45","13","5730","5740","10.1039/c5dt04941e","","","0.71073","MoKα","","0.0826","0.0533","","","0.1427","0.1619","","","","","","1.026","","","","has coordinates","181645","2020-10-21","18:00:00",""
"7038448","9.918","0.005","10.653","0.005","19.107","0.005","77.29","0.005","87.044","0.005","67.076","0.005","1812.5","1.3","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C36 H40 Cd Cu2 N6 O4 S2 -","- C36 H40 Cd Cu2 N6 O4 S2 -","- C72 H80 Cd2 Cu4 N12 O8 S4 -","2","1","","Hazari, Alokesh; Das, Lakshmi Kanta; Bauzá, Antonio; Frontera, Antonio; Ghosh, Ashutosh","Exploring the coordinative adaptation and molecular shapes of trinuclear CuM(II) (M = Zn/Cd) complexes derived from salen type Schiff bases: structural and theoretical studies.","Dalton transactions (Cambridge, England : 2003)","2016","45","13","5730","5740","10.1039/c5dt04941e","","","0.71073","MoKα","","0.1025","0.0911","","","0.2812","0.2892","","","","","","1.12","","","","has coordinates","181645","2020-10-21","18:00:00",""
"7038449","13.213","0.002","11.4688","0.0017","11.0325","0.0017","90","","113.611","0.002","90","","1531.9","0.4","297","2","297","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H17 Bi Br N -","- C15 H17 Bi Br N -","- C60 H68 Bi4 Br4 N4 -","4","1","","Olaru, Marian; Nema, Mihai G.; Soran, Albert; Breunig, Hans J.; Silvestru, Cristian","Mixed triorganobismuthines RAr2Bi [Ar = C6F5, 2,4,6-(C6F5)3C6H2] and hypervalent racemic Bi-chiral diorganobismuth(iii) bromides RArBiBr (Ar = C6F5, Mes, Ph) with the ligand R = 2-(Me2NCH2)C6H4. Influences of the organic substituent.","Dalton transactions (Cambridge, England : 2003)","2016","45","23","9419","9428","10.1039/c5dt05074j","","","0.71073","MoKα","","0.1044","0.0822","","","0.1445","0.1524","","","","","","1.223","","","","has coordinates","185520","2020-10-21","18:00:00",""
"7038450","8.493","0.003","20.012","0.004","19.786","0.007","90","","94.9","0.04","90","","3350.6","1.8","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C15 H12 Bi Br F5 N -","- C15 H12 Bi Br F5 N -","- C120 H96 Bi8 Br8 F40 N8 -","8","2","","Olaru, Marian; Nema, Mihai G.; Soran, Albert; Breunig, Hans J.; Silvestru, Cristian","Mixed triorganobismuthines RAr2Bi [Ar = C6F5, 2,4,6-(C6F5)3C6H2] and hypervalent racemic Bi-chiral diorganobismuth(iii) bromides RArBiBr (Ar = C6F5, Mes, Ph) with the ligand R = 2-(Me2NCH2)C6H4. Influences of the organic substituent.","Dalton transactions (Cambridge, England : 2003)","2016","45","23","9419","9428","10.1039/c5dt05074j","","","0.71073","MoKα","","0.0813","0.0548","","","0.137","0.1466","","","","","","1.074","","","","has coordinates","185520","2020-10-21","18:00:00",""
"7038451","6.657","0.001","16.639","0.002","18.698","0.003","90","","90.53","0.01","90","","2071","0.5","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C21 H12 Bi F10 N -","- C21 H12 Bi F10 N -","- C84 H48 Bi4 F40 N4 -","4","1","","Olaru, Marian; Nema, Mihai G.; Soran, Albert; Breunig, Hans J.; Silvestru, Cristian","Mixed triorganobismuthines RAr2Bi [Ar = C6F5, 2,4,6-(C6F5)3C6H2] and hypervalent racemic Bi-chiral diorganobismuth(iii) bromides RArBiBr (Ar = C6F5, Mes, Ph) with the ligand R = 2-(Me2NCH2)C6H4. Influences of the organic substituent.","Dalton transactions (Cambridge, England : 2003)","2016","45","23","9419","9428","10.1039/c5dt05074j","","","0.71073","MoKα","","0.051","0.0341","","","0.075","0.0799","","","","","","1.041","","","","has coordinates","185520","2020-10-21","18:00:00",""
"7038452","8.898","0.002","14.817","0.005","13.896","0.004","90","","98.386","0.014","90","","1812.5","0.9","173","2","173","2","","","","","","","synthesis as described","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H23 Bi Br N -","- C18 H23 Bi Br N -","- C72 H92 Bi4 Br4 N4 -","4","1","","Olaru, Marian; Nema, Mihai G.; Soran, Albert; Breunig, Hans J.; Silvestru, Cristian","Mixed triorganobismuthines RAr2Bi [Ar = C6F5, 2,4,6-(C6F5)3C6H2] and hypervalent racemic Bi-chiral diorganobismuth(iii) bromides RArBiBr (Ar = C6F5, Mes, Ph) with the ligand R = 2-(Me2NCH2)C6H4. Influences of the organic substituent.","Dalton transactions (Cambridge, England : 2003)","2016","45","23","9419","9428","10.1039/c5dt05074j","","x-ray","0.71073","MoKα","","0.0446","0.0342","","","0.0841","0.0882","","","","","","1.031","","","","has coordinates","185520","2020-10-21","18:00:00",""
"7038453","11.304","0.002","11.753","0.002","20.37","0.004","85.226","0.004","75.497","0.005","86.735","0.004","2609.1","0.8","294","2","294","2","","","","","","","","5","P -1","-P 1","2","","","","- C57 H14 Bi F30 N -","- C57 H14 Bi F30 N -","- C114 H28 Bi2 F60 N2 -","2","1","","Olaru, Marian; Nema, Mihai G.; Soran, Albert; Breunig, Hans J.; Silvestru, Cristian","Mixed triorganobismuthines RAr2Bi [Ar = C6F5, 2,4,6-(C6F5)3C6H2] and hypervalent racemic Bi-chiral diorganobismuth(iii) bromides RArBiBr (Ar = C6F5, Mes, Ph) with the ligand R = 2-(Me2NCH2)C6H4. Influences of the organic substituent.","Dalton transactions (Cambridge, England : 2003)","2016","45","23","9419","9428","10.1039/c5dt05074j","","","0.71073","MoKα","","0.1385","0.0894","","","0.2231","0.256","","","","","","1.027","","","","has coordinates","185520","2020-10-21","18:00:00",""
"7038454","10.7434","0.0009","11.2767","0.0011","11.909","0.0011","85.543","0.008","87.13","0.007","70.262","0.008","1353.5","0.2","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H38 Cl2 N2 O2 -","- C28 H38 Cl2 N2 O2 -","- C56 H76 Cl4 N4 O4 -","2","1","","McKeown, P.; Davidson, M. G.; Lowe, J. P.; Mahon, M. F.; Thomas, L. H.; Woodman, T. J.; Jones, M. D.","Aminopiperidine based complexes for lactide polymerisation.","Dalton transactions (Cambridge, England : 2003)","2016","45","12","5374","5387","10.1039/c5dt04695e","","x-ray","0.71073","MoKα","","0.0503","0.0398","","","0.0916","0.0973","","","","","","1.025","","","","has coordinates","181678","2020-10-21","18:00:00",""
"7038455","8.794","0.0008","12.298","0.0008","15.399","0.0008","74.378","0.003","87.933","0.005","79.786","0.003","1578.3","0.2","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C32 H46 Al Cl2 N2 O2 -","- C32 H46 Al Cl2 N2 O2 -","- C64 H92 Al2 Cl4 N4 O4 -","2","1","","McKeown, P.; Davidson, M. G.; Lowe, J. P.; Mahon, M. F.; Thomas, L. H.; Woodman, T. J.; Jones, M. D.","Aminopiperidine based complexes for lactide polymerisation.","Dalton transactions (Cambridge, England : 2003)","2016","45","12","5374","5387","10.1039/c5dt04695e","","","0.71073","MoKα","","0.0465","0.0367","","","0.0946","0.1011","","","","","","1.061","","","","has coordinates","181678","2020-10-21","18:00:00",""
"7038456","17.4539","0.0004","8.5772","0.0002","23.1237","0.0006","90","","107.06","0.003","90","","3309.42","0.15","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C35 H46 Al Br2 N2 O2 -","- C29 H39 Al Br2 N2 O2 -","- C116 H156 Al4 Br8 N8 O8 -","4","1","","McKeown, P.; Davidson, M. G.; Lowe, J. P.; Mahon, M. F.; Thomas, L. H.; Woodman, T. J.; Jones, M. D.","Aminopiperidine based complexes for lactide polymerisation.","Dalton transactions (Cambridge, England : 2003)","2016","45","12","5374","5387","10.1039/c5dt04695e","","x-ray","0.71073","MoKα","","0.0633","0.0402","","","0.0841","0.0926","","","","","","1.022","","","","has coordinates","181678","2020-10-21","18:00:00",""
"7038457","15.1677","0.0003","11.9747","0.0001","14.1461","0.0002","90","","115.389","0.002","90","","2321.18","0.07","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C23 H39 Al N2 O -","- C23 H39 Al N2 O -","- C92 H156 Al4 N8 O4 -","4","1","","McKeown, P.; Davidson, M. G.; Lowe, J. P.; Mahon, M. F.; Thomas, L. H.; Woodman, T. J.; Jones, M. D.","Aminopiperidine based complexes for lactide polymerisation.","Dalton transactions (Cambridge, England : 2003)","2016","45","12","5374","5387","10.1039/c5dt04695e","","x-ray","1.54184","CuKα","","0.0447","0.0391","","","0.1008","0.1043","","","","","","1.02","","","","has coordinates,has disorder","181678","2020-10-21","18:00:00",""
"7038458","19.9805","0.0011","8.6659","0.0005","20.6358","0.0014","90","","107.033","0.006","90","","3416.3","0.4","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C17 H27 Al N2 O -","- C17 H27 Al N2 O -","- C136 H216 Al8 N16 O8 -","8","2","","McKeown, P.; Davidson, M. G.; Lowe, J. P.; Mahon, M. F.; Thomas, L. H.; Woodman, T. J.; Jones, M. D.","Aminopiperidine based complexes for lactide polymerisation.","Dalton transactions (Cambridge, England : 2003)","2016","45","12","5374","5387","10.1039/c5dt04695e","","x-ray","1.54184","CuKα","","0.1477","0.1095","","","0.2669","0.2973","","","","","","1.041","","","","has coordinates","192220","2020-10-21","18:00:00",""
"7038459","7.4788","0.0003","14.4657","0.0006","21.7312","0.0011","90","","97.752","0.004","90","","2329.53","0.18","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H39 Al N2 O -","- C26 H39 Al N2 O -","- C104 H156 Al4 N8 O4 -","4","1","","McKeown, P.; Davidson, M. G.; Lowe, J. P.; Mahon, M. F.; Thomas, L. H.; Woodman, T. J.; Jones, M. D.","Aminopiperidine based complexes for lactide polymerisation.","Dalton transactions (Cambridge, England : 2003)","2016","45","12","5374","5387","10.1039/c5dt04695e","","x-ray","1.54184","CuKα","","0.1215","0.097","","","0.2046","0.2156","","","","","","1.12","","","","has coordinates","181678","2020-10-21","18:00:00",""
"7038460","17.646","0.0007","10.293","0.0005","19.41","0.0008","90","","93.839","0.003","90","","3517.5","0.3","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C37 H57 Al N2 O2 -","- C37 H57 Al N2 O2 -","- C148 H228 Al4 N8 O8 -","4","1","","McKeown, P.; Davidson, M. G.; Lowe, J. P.; Mahon, M. F.; Thomas, L. H.; Woodman, T. J.; Jones, M. D.","Aminopiperidine based complexes for lactide polymerisation.","Dalton transactions (Cambridge, England : 2003)","2016","45","12","5374","5387","10.1039/c5dt04695e","","","0.71073","MoKα","","0.1606","0.1175","","","0.2944","0.3381","","","","","","1.067","","","","has coordinates","181678","2020-10-21","18:00:00",""
"7038461","8.3422","0.0008","9.3504","0.0007","19.2341","0.0018","100.197","0.007","101.412","0.008","94.028","0.007","1438.8","0.2","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C31 H45 Al N2 O2 -","- C31 H45 Al N2 O2 -","- C62 H90 Al2 N4 O4 -","2","1","","McKeown, P.; Davidson, M. G.; Lowe, J. P.; Mahon, M. F.; Thomas, L. H.; Woodman, T. J.; Jones, M. D.","Aminopiperidine based complexes for lactide polymerisation.","Dalton transactions (Cambridge, England : 2003)","2016","45","12","5374","5387","10.1039/c5dt04695e","","x-ray","1.54184","CuKα","","0.1234","0.0942","","","0.2368","0.2628","","","","","","1.076","","","","has coordinates,has disorder","181678","2020-10-21","18:00:00",""
"7038462","10.3949","0.0002","13.7142","0.0003","22.8673","0.0003","91.052","0.001","96.17","0.001","109.546","0.002","3049.12","0.11","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C30.25 H39 Cl3 Hf0.5 N2 O2 -","- C30.25 H39 Cl3 Hf0.5 N2 O2 -","- C121 H156 Cl12 Hf2 N8 O8 -","4","2","","McKeown, P.; Davidson, M. G.; Lowe, J. P.; Mahon, M. F.; Thomas, L. H.; Woodman, T. J.; Jones, M. D.","Aminopiperidine based complexes for lactide polymerisation.","Dalton transactions (Cambridge, England : 2003)","2016","45","12","5374","5387","10.1039/c5dt04695e","","x-ray","1.54184","CuKα","","0.0333","0.0329","","","0.084","0.0843","","","","","","1.061","","","","has coordinates,has disorder","181678","2020-10-21","18:00:00",""
"7038463","10.3957","0.0005","13.605","0.0005","22.9024","0.0011","89.912","0.003","84.053","0.004","69.887","0.004","3023.2","0.2","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C57.5 H75 Br4 Cl3 Hf N4 O4 -","- C57.5 H75 Br4 Cl3 Hf N4 O4 -","- C115 H150 Br8 Cl6 Hf2 N8 O8 -","2","1","","McKeown, P.; Davidson, M. G.; Lowe, J. P.; Mahon, M. F.; Thomas, L. H.; Woodman, T. J.; Jones, M. D.","Aminopiperidine based complexes for lactide polymerisation.","Dalton transactions (Cambridge, England : 2003)","2016","45","12","5374","5387","10.1039/c5dt04695e","","x-ray","0.71073","MoKα","","0.053","0.0401","","","0.0945","0.1015","","","","","","1.065","","","","has coordinates,has disorder","181678","2020-10-21","18:00:00",""
"7038464","54.9146","0.0005","35.8227","0.0003","13.3827","0.0001","90","","90","","90","","26326.3","0.4","150","2","150","2","","","","","","","","6","F d d 2","F 2 -2d","43","","","","- C68 H100 Hf I4 N4 O4 -","- C56 H72 Hf I4 N4 O4 -","- C896 H1152 Hf16 I64 N64 O64 -","16","1","","McKeown, P.; Davidson, M. G.; Lowe, J. P.; Mahon, M. F.; Thomas, L. H.; Woodman, T. J.; Jones, M. D.","Aminopiperidine based complexes for lactide polymerisation.","Dalton transactions (Cambridge, England : 2003)","2016","45","12","5374","5387","10.1039/c5dt04695e","","x-ray","0.71073","MoKα","","0.0216","0.0186","","","0.0374","0.0377","","","","","","0.99","","","","has coordinates","181678","2020-10-21","18:00:00",""
"7038465","10.6236","0.0005","11.1469","0.0008","16.0773","0.0009","101.894","0.006","102.235","0.004","102.233","0.005","1754.5","0.2","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C34 H49 Cl2 N2 O4 Ti -","- C34 H49 Cl2 N2 O4 Ti -","- C68 H98 Cl4 N4 O8 Ti2 -","2","1","","McKeown, P.; Davidson, M. G.; Lowe, J. P.; Mahon, M. F.; Thomas, L. H.; Woodman, T. J.; Jones, M. D.","Aminopiperidine based complexes for lactide polymerisation.","Dalton transactions (Cambridge, England : 2003)","2016","45","12","5374","5387","10.1039/c5dt04695e","","x-ray","1.54184","CuKα","","0.0798","0.0749","","","0.2023","0.2097","","","","","","1.036","","","","has coordinates,has disorder","181678","2020-10-21","18:00:00",""
"7038466","13.974","0.0008","14.311","0.0007","17.277","0.0006","74.9","0.003","87.307","0.003","73.892","0.002","3203.6","0.3","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C62 H86 Cl4 N4 O4 Zr -","- C62 H86 Cl4 N4 O4 Zr -","- C124 H172 Cl8 N8 O8 Zr2 -","2","1","","McKeown, P.; Davidson, M. G.; Lowe, J. P.; Mahon, M. F.; Thomas, L. H.; Woodman, T. J.; Jones, M. D.","Aminopiperidine based complexes for lactide polymerisation.","Dalton transactions (Cambridge, England : 2003)","2016","45","12","5374","5387","10.1039/c5dt04695e","","","0.71073","MoKα","","0.1794","0.1065","","","0.2707","0.3112","","","","","","1.003","","","","has coordinates","181678","2020-10-21","18:00:00",""
"7038467","13.8853","0.0009","14.3894","0.0006","17.4919","0.0008","74.488","0.004","86.59","0.005","74.048","0.005","3237.5","0.3","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C61 H84 Br4 N4 O4 Zr -","- C61 H84 Br4 N4 O4 Zr -","- C122 H168 Br8 N8 O8 Zr2 -","2","1","","McKeown, P.; Davidson, M. G.; Lowe, J. P.; Mahon, M. F.; Thomas, L. H.; Woodman, T. J.; Jones, M. D.","Aminopiperidine based complexes for lactide polymerisation.","Dalton transactions (Cambridge, England : 2003)","2016","45","12","5374","5387","10.1039/c5dt04695e","","x-ray","0.71073","MoKα","","0.1054","0.064","","","0.1458","0.1685","","","","","","1.028","","","","has coordinates,has disorder","181678","2020-10-21","18:00:00",""
"7038468","19.5802","0.0005","18.0805","0.0003","19.3122","0.0005","90","","108.576","0.003","90","","6480.7","0.3","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C62 H86 I4 N4 O4 Zr -","- C62 H86 I4 N4 O4 Zr -","- C248 H344 I16 N16 O16 Zr4 -","4","1","","McKeown, P.; Davidson, M. G.; Lowe, J. P.; Mahon, M. F.; Thomas, L. H.; Woodman, T. J.; Jones, M. D.","Aminopiperidine based complexes for lactide polymerisation.","Dalton transactions (Cambridge, England : 2003)","2016","45","12","5374","5387","10.1039/c5dt04695e","","x-ray","1.54184","CuKα","","0.0639","0.0529","","","0.1328","0.1423","","","","","","1.018","","","","has coordinates","181678","2020-10-21","18:00:00",""
"7038469","17.697","0.006","17.458","0.005","14.01","0.004","90","","112.156","0.003","90","","4009","2","110","","110","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","4","","- C37 H43 Cl2 Cu2 N7 -","- C36.2 H43 Cl2 Cu2 N7.9 -","- C144.8 H172 Cl8 Cu8 N31.6 -","4","1","","Iwasaki, Haruka; Teshima, Yuta; Yamada, Yuji; Ishikawa, Ryuta; Koga, Yuji; Matsubara, Kouki","Bimetallic Cu(i) complex with a pyridine-bridged bis(1,2,3-triazole-5-ylidene) ligand.","Dalton transactions (Cambridge, England : 2003)","2016","45","13","5713","5719","10.1039/c6dt00008h","","","0.71075","MoKα","","0.0699","0.0588","","","0.157","0.1708","","","","","","1.111","","","","has coordinates","181629","2020-10-21","18:00:00",""
"7038470","10.2652","0.0002","15.8355","0.0003","25.8307","0.0007","90","","90","","90","","4198.9","0.16","200","2","200","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C39 H32 Cl7 Ir O P2 Si -","- C39 H32 Cl7 Ir O P2 Si -","- C156 H128 Cl28 Ir4 O4 P8 Si4 -","4","1","","Kameo, H.; Ikeda, K.; Sakaki, S.; Takemoto, S.; Nakazawa, H.; Matsuzaka, H.","Experimental and theoretical studies of Si-Cl and Ge-Cl σ-bond activation reactions by iridium-hydride.","Dalton transactions (Cambridge, England : 2003)","2016","45","18","7570","7580","10.1039/c6dt00003g","","","0.7107","MoKα","","0.0329","0.0307","","","0.0642","0.0661","","","","","","1.094","","","","has coordinates,has disorder","182667","2020-10-21","18:00:00",""
"7038471","18.3353","0.0009","22.648","0.0009","18.5245","0.0009","90","","100.286","0.002","90","","7568.8","0.6","200","2","200","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C38 H30 Cl5 Ge Ir O P2 -","- C38 H30 Cl5 Ge Ir O P2 -","- C304 H240 Cl40 Ge8 Ir8 O8 P16 -","8","2","","Kameo, H.; Ikeda, K.; Sakaki, S.; Takemoto, S.; Nakazawa, H.; Matsuzaka, H.","Experimental and theoretical studies of Si-Cl and Ge-Cl σ-bond activation reactions by iridium-hydride.","Dalton transactions (Cambridge, England : 2003)","2016","45","18","7570","7580","10.1039/c6dt00003g","","","0.7107","MoKα","","0.0771","0.0614","","","0.0969","0.1052","","","","","","1.249","","","","has coordinates","182667","2020-10-21","18:00:00",""
"7038472","31.485","0.0011","16.3476","0.0005","19.352","0.0006","90","","99.332","0.001","90","","9828.7","0.5","130","2","130","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C110 H81 Br4 Cl2 N13 O2 P4 Rh2 -","- C110 H81 Br4 Cl2 N13 O2 P4 Rh2 -","- C440 H324 Br16 Cl8 N52 O8 P16 Rh8 -","4","1","","Ghorui, Tapas; Roy, Sima; Pramanik, Shuvam; Pramanik, Kausikisankar","RhCl(PPh3)3-mediated C-H oxyfunctionalization of pyrrolido-functionalized bisazoaromatic pincers: a combined experimental and theoretical scrutiny of redox-active and spectroscopic properties.","Dalton transactions (Cambridge, England : 2003)","2016","45","13","5720","5729","10.1039/c5dt05044h","","","0.71073","MoKα","","0.0741","0.0498","","","0.1043","0.1198","","","","","","1.063","","","","has coordinates,has disorder","181637","2020-10-21","18:00:00",""
"7038473","10.2345","0.00011","19.2654","0.0003","18.4601","0.0002","90","","94.9551","0.0009","90","","3626.21","0.08","173","","173","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C42 H36 N O3 P3 W -","- C42 H36 N O3 P3 W -","- C168 H144 N4 O12 P12 W4 -","4","1","","Phanopoulos, Andreas; White, Andrew J. P.; Long, Nicholas J.; Miller, Philip W.","Insight into the stereoelectronic parameters of N-triphos ligands via coordination to tungsten(0).","Dalton transactions (Cambridge, England : 2003)","2016","45","13","5536","5548","10.1039/c6dt00170j","","","1.54184","CuKα","","0.0264","0.0215","","","0.0492","0.0516","","","","","","1.034","","","","has coordinates","181643","2020-10-21","18:00:00",""
"7038474","18.1122","0.0004","35.0113","0.0008","13.3447","0.0003","90","","90","","90","","8462.3","0.3","173","","173","","","","","","","","","9","P n m a","-P 2ac 2n","62","","","","- C43.5 H40 B Cl3 F4 N O3 P3 W -","- C42 H37 B F4 N O3 P3 W -","- C336 H296 B8 F32 N8 O24 P24 W8 -","8","1","","Phanopoulos, Andreas; White, Andrew J. P.; Long, Nicholas J.; Miller, Philip W.","Insight into the stereoelectronic parameters of N-triphos ligands via coordination to tungsten(0).","Dalton transactions (Cambridge, England : 2003)","2016","45","13","5536","5548","10.1039/c6dt00170j","","","0.71073","MoKα","","0.0961","0.0761","","","0.1602","0.1669","","","","","","1.139","","","","has coordinates,has disorder","181643","2020-10-21","18:00:00",""
"7038475","10.3366","0.0002","8.366","0.0002","45.8955","0.001","90","","92.65","0.002","90","","3964.61","0.15","173","","173","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C42 H24 F12 N O3 P3 W -","- C42 H24 F12 N O3 P3 W -","- C168 H96 F48 N4 O12 P12 W4 -","4","1","","Phanopoulos, Andreas; White, Andrew J. P.; Long, Nicholas J.; Miller, Philip W.","Insight into the stereoelectronic parameters of N-triphos ligands via coordination to tungsten(0).","Dalton transactions (Cambridge, England : 2003)","2016","45","13","5536","5548","10.1039/c6dt00170j","","","1.54184","CuKα","","0.0501","0.0398","","","0.0924","0.0958","","","","","","1.247","","","","has coordinates","181643","2020-10-21","18:00:00",""
"7038476","8.30064","0.00015","10.2472","0.0002","23.6539","0.0005","101.952","0.0018","94.4676","0.0017","90.3026","0.0016","1961.89","0.07","173","","173","","","","","","","","","7","P -1","-P 1","2","","","","- C42 H24 F12 N O3 P3 W -","- C42 H24 F12 N O3 P3 W -","- C84 H48 F24 N2 O6 P6 W2 -","2","1","","Phanopoulos, Andreas; White, Andrew J. P.; Long, Nicholas J.; Miller, Philip W.","Insight into the stereoelectronic parameters of N-triphos ligands via coordination to tungsten(0).","Dalton transactions (Cambridge, England : 2003)","2016","45","13","5536","5548","10.1039/c6dt00170j","","","0.71073","MoKα","","0.0463","0.0431","","","0.098","0.099","","","","","","1.326","","","","has coordinates","181643","2020-10-21","18:00:00",""
"7038477","15.457","0.00018","12.41049","0.00015","32.2167","0.0005","90","","95.3745","0.0014","90","","6152.93","0.14","173","","173","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C25 H48 N O4 P3 W -","- C25 H48 N O4 P3 W -","- C200 H384 N8 O32 P24 W8 -","8","2","","Phanopoulos, Andreas; White, Andrew J. P.; Long, Nicholas J.; Miller, Philip W.","Insight into the stereoelectronic parameters of N-triphos ligands via coordination to tungsten(0).","Dalton transactions (Cambridge, England : 2003)","2016","45","13","5536","5548","10.1039/c6dt00170j","","","1.54184","CuKα","","0.0879","0.0797","","","0.2534","0.2588","","","","","","1.1","","","","has coordinates,has disorder","181643","2020-10-21","18:00:00",""
"7038478","21.077","0.002","20.1866","0.0018","8.899","0.0004","90","","90","","90","","3786.3","0.5","173","","173","","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C37 H60 N O4 P3 W -","- C37 H60 N O4 P3 W -","- C148 H240 N4 O16 P12 W4 -","4","1","","Phanopoulos, Andreas; White, Andrew J. P.; Long, Nicholas J.; Miller, Philip W.","Insight into the stereoelectronic parameters of N-triphos ligands via coordination to tungsten(0).","Dalton transactions (Cambridge, England : 2003)","2016","45","13","5536","5548","10.1039/c6dt00170j","","","1.54184","CuKα","","0.0178","0.0175","","","0.0462","0.0464","","","","","","1.041","","","","has coordinates,has disorder","181643","2020-10-21","18:00:00",""
"7038479","20.9984","0.0005","20.2089","0.0004","8.90858","0.00017","90","","90","","90","","3780.4","0.14","173","","173","","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C37 H60 N O5 P3 W -","- C37 H60 N O5 P3 W -","- C148 H240 N4 O20 P12 W4 -","4","1","","Phanopoulos, Andreas; White, Andrew J. P.; Long, Nicholas J.; Miller, Philip W.","Insight into the stereoelectronic parameters of N-triphos ligands via coordination to tungsten(0).","Dalton transactions (Cambridge, England : 2003)","2016","45","13","5536","5548","10.1039/c6dt00170j","","","1.54184","CuKα","","0.0489","0.043","","","0.1128","0.12","","","","","","1.051","","","","has coordinates","181643","2020-10-21","18:00:00",""
"7038480","37.9478","0.0005","10.57997","0.00015","19.1922","0.0003","90","","100.334","0.0014","90","","7580.43","0.19","173","","173","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C38.5 H56 N2 O4 P2 W -","- C38.5 H56 N2 O4 P2 W -","- C308 H448 N16 O32 P16 W8 -","8","2","","Phanopoulos, Andreas; White, Andrew J. P.; Long, Nicholas J.; Miller, Philip W.","Insight into the stereoelectronic parameters of N-triphos ligands via coordination to tungsten(0).","Dalton transactions (Cambridge, England : 2003)","2016","45","13","5536","5548","10.1039/c6dt00170j","","","0.71073","MoKα","","0.126","0.0817","","","0.0978","0.1077","","","","","","1.511","","","","has coordinates,has disorder","181643","2020-10-21","18:00:00",""
"7038481","10.177","0.0005","10.7624","0.0005","16.328","0.0007","93.75","0.002","101.264","0.002","105.923","0.002","1673.17","0.14","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C31.5 H50 Bi Cl2 N Si -","- C31.5 H50 Bi Cl2 N Si -","- C63 H100 Bi2 Cl4 N2 Si2 -","2","1","","Hering-Junghans, Christian; Schulz, Axel; Thomas, Max; Villinger, Alexander","Synthesis of mono-, di-, and triaminobismuthanes and observation of C-C coupling of aromatic systems with bismuth(iii) chloride.","Dalton transactions (Cambridge, England : 2003)","2016","45","14","6053","6059","10.1039/c6dt00229c","","","0.71073","MoKα","","0.0258","0.0209","","","0.047","0.0485","","","","","","1.038","","","","has coordinates","181736","2020-10-21","18:00:00",""
"7038482","10.3047","0.0009","28.762","0.003","14.6355","0.0011","90","","94.693","0.004","90","","4323.2","0.7","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C42 H76 N2 Si2 -","- C42 H76 N2 Si2 -","- C168 H304 N8 Si8 -","4","1","","Hering-Junghans, Christian; Schulz, Axel; Thomas, Max; Villinger, Alexander","Synthesis of mono-, di-, and triaminobismuthanes and observation of C-C coupling of aromatic systems with bismuth(iii) chloride.","Dalton transactions (Cambridge, England : 2003)","2016","45","14","6053","6059","10.1039/c6dt00229c","","","0.71073","MoKα","","0.1196","0.0549","","","0.118","0.1466","","","","","","1.006","","","","has coordinates,has disorder","181736","2020-10-21","18:00:00",""
"7038483","9.8262","0.0002","15.8803","0.0003","23.2517","0.0005","102.676","0.001","101.007","0.001","95.852","0.001","3435.29","0.12","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C30 H52 Bi Cl N2 Si2 -","- C30 H52 Bi Cl N2 Si2 -","- C120 H208 Bi4 Cl4 N8 Si8 -","4","2","","Hering-Junghans, Christian; Schulz, Axel; Thomas, Max; Villinger, Alexander","Synthesis of mono-, di-, and triaminobismuthanes and observation of C-C coupling of aromatic systems with bismuth(iii) chloride.","Dalton transactions (Cambridge, England : 2003)","2016","45","14","6053","6059","10.1039/c6dt00229c","","","0.71073","MoKα","","0.0702","0.0426","","","0.0806","0.0883","","","","","","1.097","","","","has coordinates,has disorder","181736","2020-10-21","18:00:00",""
"7038484","14.3834","0.0012","16.6481","0.0015","19.0847","0.0017","107.659","0.004","102.886","0.004","101.754","0.004","4059.8","0.6","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C15 H26 Bi Cl2 N Si -","- C15 H26 Bi Cl2 N Si -","- C120 H208 Bi8 Cl16 N8 Si8 -","8","4","","Hering-Junghans, Christian; Schulz, Axel; Thomas, Max; Villinger, Alexander","Synthesis of mono-, di-, and triaminobismuthanes and observation of C-C coupling of aromatic systems with bismuth(iii) chloride.","Dalton transactions (Cambridge, England : 2003)","2016","45","14","6053","6059","10.1039/c6dt00229c","","","0.71073","MoKα","","0.0659","0.0324","","","0.0532","0.0607","","","","","","1.001","","","","has coordinates","181736","2020-10-21","18:00:00",""
"7038485","12.1974","0.0003","16.2449","0.0004","21.8846","0.0006","90","","98.39","0.002","90","","4289.93","0.19","153","2","153","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C42 H76 N2 Si2 -","- C42 H76 N2 Si2 -","- C168 H304 N8 Si8 -","4","1","","Hering-Junghans, Christian; Schulz, Axel; Thomas, Max; Villinger, Alexander","Synthesis of mono-, di-, and triaminobismuthanes and observation of C-C coupling of aromatic systems with bismuth(iii) chloride.","Dalton transactions (Cambridge, England : 2003)","2016","45","14","6053","6059","10.1039/c6dt00229c","","","0.71073","MoKα","","0.0811","0.05","","","0.0978","0.1096","","","","","","1.014","","","","has coordinates","181736","2020-10-21","18:00:00",""
"7038486","11.5209","0.0006","12.314","0.0006","13.3055","0.0007","90","","90.088","0.003","90","","1887.63","0.17","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C18 H33 N Si -","- C18 H33 N Si -","- C72 H132 N4 Si4 -","4","1","","Hering-Junghans, Christian; Schulz, Axel; Thomas, Max; Villinger, Alexander","Synthesis of mono-, di-, and triaminobismuthanes and observation of C-C coupling of aromatic systems with bismuth(iii) chloride.","Dalton transactions (Cambridge, England : 2003)","2016","45","14","6053","6059","10.1039/c6dt00229c","","","0.71073","MoKα","","0.0507","0.0411","","","0.0996","0.106","","","","","","1.034","","","","has coordinates","181736","2020-10-21","18:00:00",""
"7038487","11.1196","0.0004","17.8846","0.0007","18.8099","0.0007","90","","91.798","0.002","90","","3738.9","0.2","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C33 H54 Bi N3 Si3 -","- C33 H54 Bi N3 Si3 -","- C132 H216 Bi4 N12 Si12 -","4","1","","Hering-Junghans, Christian; Schulz, Axel; Thomas, Max; Villinger, Alexander","Synthesis of mono-, di-, and triaminobismuthanes and observation of C-C coupling of aromatic systems with bismuth(iii) chloride.","Dalton transactions (Cambridge, England : 2003)","2016","45","14","6053","6059","10.1039/c6dt00229c","","","0.71073","MoKα","","0.0866","0.0426","","","0.0723","0.0825","","","","","","1.018","","","","has coordinates","181736","2020-10-21","18:00:00",""
"7038488","8.7707","0.0002","10.3814","0.0003","11.5042","0.0003","111.435","0.001","95.368","0.001","107.984","0.001","901.84","0.04","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C34 H46 Bi2 N4 Si2 -","- C34 H46 Bi2 N4 Si2 -","- C34 H46 Bi2 N4 Si2 -","1","0.5","","Hering-Junghans, Christian; Schulz, Axel; Thomas, Max; Villinger, Alexander","Synthesis of mono-, di-, and triaminobismuthanes and observation of C-C coupling of aromatic systems with bismuth(iii) chloride.","Dalton transactions (Cambridge, England : 2003)","2016","45","14","6053","6059","10.1039/c6dt00229c","","","0.71073","MoKα","","0.041","0.0285","","","0.0454","0.0488","","","","","","1.006","","","","has coordinates,has disorder","181736","2020-10-21","18:00:00",""
"7038489","41.0217","0.0014","9.1798","0.0003","24.3117","0.0009","90","","90.767","0.003","90","","9154.3","0.5","173","2","173","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C36 H61 Bi2 Cl3 N3 Si3 -","- C36 H61 Bi2 Cl3 N3 Si3 -","- C288 H488 Bi16 Cl24 N24 Si24 -","8","1","","Hering-Junghans, Christian; Schulz, Axel; Thomas, Max; Villinger, Alexander","Synthesis of mono-, di-, and triaminobismuthanes and observation of C-C coupling of aromatic systems with bismuth(iii) chloride.","Dalton transactions (Cambridge, England : 2003)","2016","45","14","6053","6059","10.1039/c6dt00229c","","","0.71073","MoKα","","0.0716","0.037","","","0.0587","0.0673","","","","","","1.028","","","","has coordinates,has disorder","181736","2020-10-21","18:00:00",""
"7038490","11.4715","0.0007","13.3538","0.0007","11.6454","0.0006","90","","119.112","0.002","90","","1558.57","0.15","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C14 H24 Li N O Si -","- C14 H24 Li N O Si -","- C56 H96 Li4 N4 O4 Si4 -","4","1","","Hering-Junghans, Christian; Schulz, Axel; Thomas, Max; Villinger, Alexander","Synthesis of mono-, di-, and triaminobismuthanes and observation of C-C coupling of aromatic systems with bismuth(iii) chloride.","Dalton transactions (Cambridge, England : 2003)","2016","45","14","6053","6059","10.1039/c6dt00229c","","","0.71073","MoKα","","0.0907","0.0493","","","0.1117","0.132","","","","","","1.022","","","","has coordinates,has disorder","181736","2020-10-21","18:00:00",""
"7038491","11.3711","0.0006","15.2605","0.0008","17.1661","0.0009","90","","98.542","0.003","90","","2945.8","0.3","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C26 H44 Li2 N2 O Si2 -","- C26 H44 Li2 N2 O Si2 -","- C104 H176 Li8 N8 O4 Si8 -","4","1","","Hering-Junghans, Christian; Schulz, Axel; Thomas, Max; Villinger, Alexander","Synthesis of mono-, di-, and triaminobismuthanes and observation of C-C coupling of aromatic systems with bismuth(iii) chloride.","Dalton transactions (Cambridge, England : 2003)","2016","45","14","6053","6059","10.1039/c6dt00229c","","","0.71073","MoKα","","0.093","0.0485","","","0.118","0.1422","","","","","","1.017","","","","has coordinates,has disorder","181736","2020-10-21","18:00:00",""
"7038492","16.3869","0.0004","8.7559","0.0002","22.123","0.0006","90","","104.483","0.002","90","","3073.38","0.14","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C28 H36 Bi Cl4 N Si -","- C28 H36 Bi Cl4 N Si -","- C112 H144 Bi4 Cl16 N4 Si4 -","4","1","","Hering-Junghans, Christian; Schulz, Axel; Thomas, Max; Villinger, Alexander","Synthesis of mono-, di-, and triaminobismuthanes and observation of C-C coupling of aromatic systems with bismuth(iii) chloride.","Dalton transactions (Cambridge, England : 2003)","2016","45","14","6053","6059","10.1039/c6dt00229c","","","0.71073","MoKα","","0.095","0.0428","","","0.0685","0.0817","","","","","","1.018","","","","has coordinates,has disorder","181736","2020-10-21","18:00:00",""
"7038493","10.1484","0.0005","15.3428","0.0007","16.9799","0.0008","79.412","0.002","86.011","0.002","75.179","0.002","2511.7","0.2","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C21 H35 Bi Cl2 N Si -","- C21 H35 Bi Cl2 N Si -","- C84 H140 Bi4 Cl8 N4 Si4 -","4","2","","Hering-Junghans, Christian; Schulz, Axel; Thomas, Max; Villinger, Alexander","Synthesis of mono-, di-, and triaminobismuthanes and observation of C-C coupling of aromatic systems with bismuth(iii) chloride.","Dalton transactions (Cambridge, England : 2003)","2016","45","14","6053","6059","10.1039/c6dt00229c","","","0.71073","MoKα","","0.0766","0.0348","","","0.0552","0.0651","","","","","","1.012","","","","has coordinates,has disorder","181736","2020-10-21","18:00:00",""
"7038494","9.8401","0.0006","11.5699","0.0008","19.1692","0.0011","94.76","0.004","101.072","0.004","109.648","0.004","1991.2","0.2","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C36 H64 Bi Cl N2 Si2 -","- C36 H64 Bi Cl N2 Si2 -","- C72 H128 Bi2 Cl2 N4 Si4 -","2","1","","Hering-Junghans, Christian; Schulz, Axel; Thomas, Max; Villinger, Alexander","Synthesis of mono-, di-, and triaminobismuthanes and observation of C-C coupling of aromatic systems with bismuth(iii) chloride.","Dalton transactions (Cambridge, England : 2003)","2016","45","14","6053","6059","10.1039/c6dt00229c","","","0.71073","MoKα","","0.0701","0.0381","","","0.0601","0.0672","","","","","","1.027","","","","has coordinates,has disorder","181736","2020-10-21","18:00:00",""
"7038495","10.8187","0.0009","17.5604","0.0015","18.6935","0.0015","90","","92.585","0.004","90","","3547.8","0.5","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C30 H48 Bi N3 Si3 -","- C30 H48 Bi N3 Si3 -","- C120 H192 Bi4 N12 Si12 -","4","1","","Hering-Junghans, Christian; Schulz, Axel; Thomas, Max; Villinger, Alexander","Synthesis of mono-, di-, and triaminobismuthanes and observation of C-C coupling of aromatic systems with bismuth(iii) chloride.","Dalton transactions (Cambridge, England : 2003)","2016","45","14","6053","6059","10.1039/c6dt00229c","","","0.71073","MoKα","","0.0943","0.0404","","","0.0645","0.0778","","","","","","1.003","","","","has coordinates","181736","2020-10-21","18:00:00",""
"7038496","15.4153","0.0006","11.6452","0.0005","22.13","0.001","90","","90","","90","","3972.7","0.3","173","2","173","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C38 H54 Bi2 N4 Si2 -","- C38 H54 Bi2 N4 Si2 -","- C152 H216 Bi8 N16 Si8 -","4","1","","Hering-Junghans, Christian; Schulz, Axel; Thomas, Max; Villinger, Alexander","Synthesis of mono-, di-, and triaminobismuthanes and observation of C-C coupling of aromatic systems with bismuth(iii) chloride.","Dalton transactions (Cambridge, England : 2003)","2016","45","14","6053","6059","10.1039/c6dt00229c","","","0.71073","MoKα","","0.1081","0.0443","","","0.0586","0.0716","","","","","","1.005","","","","has coordinates","181736","2020-10-21","18:00:00",""
"7038497","12.821","0.0006","17.8386","0.0008","11.3085","0.0005","90","","109.114","0.003","90","","2443.8","0.2","123","2","123","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C21 H38 Bi Cl2 N Si -","- C21 H38 Bi Cl2 N Si -","- C84 H152 Bi4 Cl8 N4 Si4 -","4","1","","Hering-Junghans, Christian; Schulz, Axel; Thomas, Max; Villinger, Alexander","Synthesis of mono-, di-, and triaminobismuthanes and observation of C-C coupling of aromatic systems with bismuth(iii) chloride.","Dalton transactions (Cambridge, England : 2003)","2016","45","14","6053","6059","10.1039/c6dt00229c","","","0.71073","MoKα","","0.1232","0.051","","","0.0803","0.0998","","","","","","0.98","","","","has coordinates","181736","2020-10-21","18:00:00",""
"7038498","25.691","0.0007","20.0014","0.0005","29.9643","0.0008","90","","90.167","0.002","90","","15397.3","0.7","123","2","123","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C21 H38 Bi Cl2 N Si -","- C21 H38 Bi Cl2 N Si -","- C504 H912 Bi24 Cl48 N24 Si24 -","24","6","","Hering-Junghans, Christian; Schulz, Axel; Thomas, Max; Villinger, Alexander","Synthesis of mono-, di-, and triaminobismuthanes and observation of C-C coupling of aromatic systems with bismuth(iii) chloride.","Dalton transactions (Cambridge, England : 2003)","2016","45","14","6053","6059","10.1039/c6dt00229c","","","0.71073","MoKα","","0.1585","0.0591","","","0.0952","0.1231","","","","","","0.96","","","","has coordinates,has disorder","181736","2020-10-21","18:00:00",""
"7038499","11.6699","0.0004","16.0308","0.0005","36.1902","0.0011","90","","90.873","0.001","90","","6769.6","0.4","123","2","123","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C30 H52 Bi Cl N2 Si2 -","- C30 H52 Bi Cl N2 Si2 -","- C240 H416 Bi8 Cl8 N16 Si16 -","8","2","","Hering-Junghans, Christian; Schulz, Axel; Thomas, Max; Villinger, Alexander","Synthesis of mono-, di-, and triaminobismuthanes and observation of C-C coupling of aromatic systems with bismuth(iii) chloride.","Dalton transactions (Cambridge, England : 2003)","2016","45","14","6053","6059","10.1039/c6dt00229c","","","0.71073","MoKα","","0.088","0.0429","","","0.0574","0.0662","","","","","","1.007","","","","has coordinates,has disorder","181736","2020-10-21","18:00:00",""
"7038500","19.5415","0.0009","13.8802","0.0005","19.5602","0.0008","90","","110.428","0.005","90","","4971.9","0.4","123.3","","123.3","","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C39 H74 Al Cl6 Mg2 N O6 Si -","- C39 H74 Al Cl6 Mg2 N O6 Si -","- C156 H296 Al4 Cl24 Mg8 N4 O24 Si4 -","4","1","","Brouillet, Etienne V.; Kennedy, Alan R.; Koszinowski, Konrad; McLellan, Ross; Mulvey, Robert E.; Robertson, Stuart D.","Exposing elusive cationic magnesium-chloro aggregates in aluminate complexes through donor control.","Dalton transactions (Cambridge, England : 2003)","2016","45","13","5590","5597","10.1039/c6dt00531d","","","0.71073","MoKα","","0.0621","0.0406","","","0.0897","0.1011","","","","","","1.0521","","","","has coordinates,has disorder","181632","2020-10-21","18:00:00",""
"7038501","17.4285","0.0012","13.218","0.0007","17.526","0.0012","90","","114.337","0.008","90","","3678.7","0.5","123.3","","123.3","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C27 H56 Al Cl4 Mg N5 Si -","- C27 H56 Al Cl4 Mg N5 Si -","- C108 H224 Al4 Cl16 Mg4 N20 Si4 -","4","1","","Brouillet, Etienne V.; Kennedy, Alan R.; Koszinowski, Konrad; McLellan, Ross; Mulvey, Robert E.; Robertson, Stuart D.","Exposing elusive cationic magnesium-chloro aggregates in aluminate complexes through donor control.","Dalton transactions (Cambridge, England : 2003)","2016","45","13","5590","5597","10.1039/c6dt00531d","","","0.71073","MoKα","","0.1138","0.0586","","","0.0959","0.1135","","","","","","1.0224","","","","has coordinates","181632","2020-10-21","18:00:00",""
"7038502","19.692","0.002","16.2309","0.0012","16.9709","0.0015","90","","107.61","0.011","90","","5170","0.9","123","2","123","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C33 H74 Al Cl8 Mg3 N7 Si -","- C33 H74 Al Cl8 Mg3 N7 Si -","- C132 H296 Al4 Cl32 Mg12 N28 Si4 -","4","1","","Brouillet, Etienne V.; Kennedy, Alan R.; Koszinowski, Konrad; McLellan, Ross; Mulvey, Robert E.; Robertson, Stuart D.","Exposing elusive cationic magnesium-chloro aggregates in aluminate complexes through donor control.","Dalton transactions (Cambridge, England : 2003)","2016","45","13","5590","5597","10.1039/c6dt00531d","","","0.71073","MoKα","","0.1082","0.0508","","","0.0886","0.0992","","","","","","0.798","","","","has coordinates","181632","2020-10-21","18:00:00",""
"7038503","13.326","0.0003","14.1674","0.0003","32.6193","0.0008","90","","95.436","0.002","90","","6130.7","0.2","123.3","","123.3","","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C45 H86 Al Cl8 Mg3 N O6 Si -","- C45 H86 Al Cl8 Mg3 N O6 Si -","- C180 H344 Al4 Cl32 Mg12 N4 O24 Si4 -","4","1","","Brouillet, Etienne V.; Kennedy, Alan R.; Koszinowski, Konrad; McLellan, Ross; Mulvey, Robert E.; Robertson, Stuart D.","Exposing elusive cationic magnesium-chloro aggregates in aluminate complexes through donor control.","Dalton transactions (Cambridge, England : 2003)","2016","45","13","5590","5597","10.1039/c6dt00531d","","","0.71073","MoKα","","0.0932","0.0651","","","0.1431","0.162","","","","","","1.065","","","","has coordinates,has disorder","181632","2020-10-21","18:00:00",""
"7038504","8.3278","0.0004","29.5439","0.0014","11.9786","0.0005","90","","101.773","0.005","90","","2885.2","0.2","123.3","","123.3","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C9 H23 Cl2 Mg N3 -","- C9 H23 Cl2 Mg N3 -","- C72 H184 Cl16 Mg8 N24 -","8","2","","Brouillet, Etienne V.; Kennedy, Alan R.; Koszinowski, Konrad; McLellan, Ross; Mulvey, Robert E.; Robertson, Stuart D.","Exposing elusive cationic magnesium-chloro aggregates in aluminate complexes through donor control.","Dalton transactions (Cambridge, England : 2003)","2016","45","13","5590","5597","10.1039/c6dt00531d","","","0.71073","MoKα","","0.0453","0.0356","","","0.0722","0.0765","","","","","","1.0452","","","","has coordinates","181632","2020-10-21","18:00:00",""
"7038505","9.378","0.002","21.148","0.006","14.8","0.004","90","","98.333","0.004","90","","2904.2","1.3","110","2","110","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C33 H41 O2 P W2 -","- C33 H41 O2 P W2 -","- C132 H164 O8 P4 W8 -","4","1","","Alvarez, M. Angeles; García, M Esther; García-Vivó, Daniel; Ruiz, Miguel A.; Vega, M. Fernanda","Insertion and C-C coupling processes in reactions of the unsaturated hydride [W2Cp2(H)(μ-PCy2)(CO)2] with alkynes.","Dalton transactions (Cambridge, England : 2003)","2016","45","12","5274","5289","10.1039/c5dt04724b","","x-ray","0.71073","MoKα","","0.1423","0.0909","","","0.2246","0.2633","","","","","","1.009","","","","has coordinates","181660","2020-10-21","18:00:00",""
"7038506","11.744","0.005","15.106","0.005","19.242","0.005","103.203","0.005","105.118","0.005","93.143","0.005","3184.5","1.9","100","0.1","100","0.1","","","","","","","synthesis as described","5","P -1","-P 1","2","","","","- C32 H41 O6 P W2 -","- C32 H41 O6 P W2 -","- C128 H164 O24 P4 W8 -","4","2","","Alvarez, M. Angeles; García, M Esther; García-Vivó, Daniel; Ruiz, Miguel A.; Vega, M. Fernanda","Insertion and C-C coupling processes in reactions of the unsaturated hydride [W2Cp2(H)(μ-PCy2)(CO)2] with alkynes.","Dalton transactions (Cambridge, England : 2003)","2016","45","12","5274","5289","10.1039/c5dt04724b","","x-ray","0.71073","MoKα","","0.0794","0.0625","","","0.1648","0.1759","","","","","","1.074","","","","has coordinates","181660","2020-10-21","18:00:00",""
"7038507","10.6093","0.0013","15.7243","0.0016","19.131","0.002","90","","115.682","0.007","90","","2876.2","0.6","100","0.1","100","0.1","","","","","","","synthesis as described","5","P 1 21/c 1","-P 2ybc","14","","","","- C30 H39 O6 P W2 -","- C30 H39 O6 P W2 -","- C120 H156 O24 P4 W8 -","4","1","","Alvarez, M. Angeles; García, M Esther; García-Vivó, Daniel; Ruiz, Miguel A.; Vega, M. Fernanda","Insertion and C-C coupling processes in reactions of the unsaturated hydride [W2Cp2(H)(μ-PCy2)(CO)2] with alkynes.","Dalton transactions (Cambridge, England : 2003)","2016","45","12","5274","5289","10.1039/c5dt04724b","","x-ray","0.71073","MoKα","","0.0987","0.0598","","","0.125","0.1424","","","","","","1.045","","","","has coordinates","181660","2020-10-21","18:00:00",""
"7038508","22.112","0.0006","19.109","0.0006","17.009","0.0004","90","","107.48","0.002","90","","6855.1","0.3","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Cobaltbis(diphenylphosphino)ethane)chloride C60 fullerene","","- C112 H48 Cl Co P4 -","- C112 H48 Cl Co P4 -","- C448 H192 Cl4 Co4 P16 -","4","0.5","","Konarev, Dmitri V.; Troyanov, Sergey I.; Otsuka, Akihiro; Yamochi, Hideki; Saito, Gunzi; Lyubovskaya, Rimma N.","Charge transfer complexes of fullerenes containing C60˙(-) and C70˙(-) radical anions with paramagnetic Co(II)(dppe)2Cl(+) cations (dppe: 1,2-bis(diphenylphosphino)ethane).","Dalton transactions (Cambridge, England : 2003)","2016","45","15","6548","6554","10.1039/c5dt04627k","","","0.71073","MoKα","","0.1019","0.0735","","","0.1733","0.1851","","","","","","1.083","","","","has coordinates,has disorder","182693","2020-10-21","18:00:00",""
"7038509","10.8104","0.0003","39.8917","0.001","18.2142","0.0005","90","","100.133","0.002","90","","7732.3","0.4","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Cobalt-bis(diphenylphosphino)ethane)chloride C70 fullerene","","- C125 H50 Cl2 Co P4 -","- C125 H50 Cl2 Co P4 -","- C500 H200 Cl8 Co4 P16 -","4","1","","Konarev, Dmitri V.; Troyanov, Sergey I.; Otsuka, Akihiro; Yamochi, Hideki; Saito, Gunzi; Lyubovskaya, Rimma N.","Charge transfer complexes of fullerenes containing C60˙(-) and C70˙(-) radical anions with paramagnetic Co(II)(dppe)2Cl(+) cations (dppe: 1,2-bis(diphenylphosphino)ethane).","Dalton transactions (Cambridge, England : 2003)","2016","45","15","6548","6554","10.1039/c5dt04627k","","","0.71073","MoKα","","0.1101","0.0814","","","0.1904","0.2035","","","","","","1","","","","has coordinates,has disorder","182693","2020-10-21","18:00:00",""
"7038510","12.0489","0.0014","13.6801","0.0015","16.5898","0.0018","81.03","0.02","74.29","0.02","88.9","0.02","2599.4","0.6","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C59 H55 Eu Fe3 N2 O6 -","- C59 H55 Eu Fe3 N2 O6 -","- C118 H110 Eu2 Fe6 N4 O12 -","2","1","","Koroteev, Pavel S.; Dobrokhotova, Zhanna V.; Ilyukhin, Andrey B.; Efimov, Nikolay N.; Rouzières, Mathieu; Kiskin, Mikhail A.; Clérac, Rodolphe; Novotortsev, Vladimir M.","Synthesis, structure, and physical properties of new rare earth ferrocenoylacetonates.","Dalton transactions (Cambridge, England : 2003)","2016","45","15","6405","6417","10.1039/c5dt04948b","","","0.71073","MoKα","","0.0874","0.0512","","","0.1085","0.1262","","","","","","0.876","","","","has coordinates,has disorder","182687","2020-10-21","18:00:00",""
"7038511","11.9757","0.0007","13.2552","0.0008","16.5953","0.001","81.265","0.002","74.033","0.002","89.479","0.002","2501.9","0.3","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C59 H55 Fe3 N2 O6 Tb -","- C59 H55 Fe3 N2 O6 Tb -","- C118 H110 Fe6 N4 O12 Tb2 -","2","1","","Koroteev, Pavel S.; Dobrokhotova, Zhanna V.; Ilyukhin, Andrey B.; Efimov, Nikolay N.; Rouzières, Mathieu; Kiskin, Mikhail A.; Clérac, Rodolphe; Novotortsev, Vladimir M.","Synthesis, structure, and physical properties of new rare earth ferrocenoylacetonates.","Dalton transactions (Cambridge, England : 2003)","2016","45","15","6405","6417","10.1039/c5dt04948b","","","0.71073","MoKα","","0.0889","0.0512","","","0.1172","0.1344","","","","","","0.99","","","","has coordinates,has disorder","182687","2020-10-21","18:00:00",""
"7038512","11.9852","0.0003","13.2486","0.0003","16.6607","0.0004","80.885","0.001","73.652","0.001","89.734","0.001","2504.26","0.1","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C59 H55 Dy Fe3 N2 O6 -","- C59 H55 Dy Fe3 N2 O6 -","- C118 H110 Dy2 Fe6 N4 O12 -","2","1","","Koroteev, Pavel S.; Dobrokhotova, Zhanna V.; Ilyukhin, Andrey B.; Efimov, Nikolay N.; Rouzières, Mathieu; Kiskin, Mikhail A.; Clérac, Rodolphe; Novotortsev, Vladimir M.","Synthesis, structure, and physical properties of new rare earth ferrocenoylacetonates.","Dalton transactions (Cambridge, England : 2003)","2016","45","15","6405","6417","10.1039/c5dt04948b","","","0.71073","MoKα","","0.0649","0.0405","","","0.0812","0.0901","","","","","","0.997","","","","has coordinates,has disorder","182687","2020-10-21","18:00:00",""
"7038513","11.9923","0.0002","13.2018","0.0003","16.7204","0.0003","80.582","0.001","73.384","0.001","89.775","0.001","2499.87","0.08","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C59 H55 Fe3 Ho N2 O6 -","- C59 H55 Fe3 Ho N2 O6 -","- C118 H110 Fe6 Ho2 N4 O12 -","2","1","","Koroteev, Pavel S.; Dobrokhotova, Zhanna V.; Ilyukhin, Andrey B.; Efimov, Nikolay N.; Rouzières, Mathieu; Kiskin, Mikhail A.; Clérac, Rodolphe; Novotortsev, Vladimir M.","Synthesis, structure, and physical properties of new rare earth ferrocenoylacetonates.","Dalton transactions (Cambridge, England : 2003)","2016","45","15","6405","6417","10.1039/c5dt04948b","","","0.71073","MoKα","","0.0393","0.0296","","","0.0716","0.0764","","","","","","1.016","","","","has coordinates,has disorder","182687","2020-10-21","18:00:00",""
"7038514","11.9776","0.0004","13.32","0.0005","16.6051","0.0006","80.892","0.001","73.742","0.001","89.608","0.001","2509.24","0.16","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C59 H55 Fe3 N2 O6 Y -","- C59 H55 Fe3 N2 O6 Y -","- C118 H110 Fe6 N4 O12 Y2 -","2","1","","Koroteev, Pavel S.; Dobrokhotova, Zhanna V.; Ilyukhin, Andrey B.; Efimov, Nikolay N.; Rouzières, Mathieu; Kiskin, Mikhail A.; Clérac, Rodolphe; Novotortsev, Vladimir M.","Synthesis, structure, and physical properties of new rare earth ferrocenoylacetonates.","Dalton transactions (Cambridge, England : 2003)","2016","45","15","6405","6417","10.1039/c5dt04948b","","","0.71073","MoKα","","0.1199","0.0525","","","0.1009","0.121","","","","","","0.976","","","","has coordinates,has disorder","182687","2020-10-21","18:00:00",""
"7038515","11.98","0.004","13.268","0.004","16.704","0.005","80.851","0.005","73.847","0.005","89.751","0.006","2515.6","1.4","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C59 H55 Fe3 Gd N2 O6 -","- C59 H55 Fe3 Gd N2 O6 -","- C118 H110 Fe6 Gd2 N4 O12 -","2","1","","Koroteev, Pavel S.; Dobrokhotova, Zhanna V.; Ilyukhin, Andrey B.; Efimov, Nikolay N.; Rouzières, Mathieu; Kiskin, Mikhail A.; Clérac, Rodolphe; Novotortsev, Vladimir M.","Synthesis, structure, and physical properties of new rare earth ferrocenoylacetonates.","Dalton transactions (Cambridge, England : 2003)","2016","45","15","6405","6417","10.1039/c5dt04948b","","","0.71073","MoKα","","0.1087","0.0581","","","0.1184","0.1394","","","","","","0.762","","","","has coordinates,has disorder","182687","2020-10-21","18:00:00",""
"7038516","10.8445","0.0012","14.24","0.0017","15.033","0.002","106.992","0.004","106.409","0.004","107.598","0.004","1933.2","0.4","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C45.5 H43 Fe3 O6 Sc -","- C45.5 H43 Fe3 O6 Sc -","- C91 H86 Fe6 O12 Sc2 -","2","1","","Koroteev, Pavel S.; Dobrokhotova, Zhanna V.; Ilyukhin, Andrey B.; Efimov, Nikolay N.; Rouzières, Mathieu; Kiskin, Mikhail A.; Clérac, Rodolphe; Novotortsev, Vladimir M.","Synthesis, structure, and physical properties of new rare earth ferrocenoylacetonates.","Dalton transactions (Cambridge, England : 2003)","2016","45","15","6405","6417","10.1039/c5dt04948b","","","0.71073","MoKα","","0.1374","0.0465","","","0.0549","0.0704","","","","","","0.658","","","","has coordinates,has disorder","182687","2020-10-21","18:00:00",""
"7038517","12.06139","0.00044","13.67584","0.00054","16.68548","0.00062","81.0395","0.0026","74.6467","0.003","88.7621","0.0032","2621.09","0.18","296","2","296","","","","","","","","","6","P -1","-P 1","2","","","","- C59 H55 Fe3 N2 O6 Pr -","- C59 H55 Fe3 N2 O6 Pr -","- C118 H110 Fe6 N4 O12 Pr2 -","2","1","","Koroteev, Pavel S.; Dobrokhotova, Zhanna V.; Ilyukhin, Andrey B.; Efimov, Nikolay N.; Rouzières, Mathieu; Kiskin, Mikhail A.; Clérac, Rodolphe; Novotortsev, Vladimir M.","Synthesis, structure, and physical properties of new rare earth ferrocenoylacetonates.","Dalton transactions (Cambridge, England : 2003)","2016","45","15","6405","6417","10.1039/c5dt04948b","powder diffraction","","1.54056","CuKα~1~","","","","","","","","","0.026","1.4","","","","","","","has coordinates","182687","2020-10-21","18:00:00",""
"7038518","9.481","0.002","11.831","0.003","12.311","0.004","114.544","0.0019","103.778","0.003","100.725","0.0017","1154.8","0.5","93","","93","","","","","","","","","6","P -1","-P 1","2","","[Pt2Ag2(ppy)2(Me2pz)4]","","- C44 H48 Ag2 Cl4 N10 Pt2 -","- C44 H48 Ag2 Cl4 N10 Pt2 -","- C44 H48 Ag2 Cl4 N10 Pt2 -","1","0.5","","Nishihara, Kazuki; Ueda, Misa; Higashitani, Ami; Nakao, Yoshihide; Arikawa, Yasuhiro; Horiuchi, Shinnosuke; Sakuda, Eri; Umakoshi, Keisuke","Different structural preference of Ag(i) and Au(i) in neutral and cationic luminescent heteropolynuclear platinum(ii) complexes: Z (U)-shaped Pt2M2 type vs. trinuclear PtM2 type.","Dalton transactions (Cambridge, England : 2003)","2016","45","12","4978","4982","10.1039/c6dt00320f","","","0.71075","MoKα","","","0.0181","","","","0.0355","","","","","","0.909","","","","has coordinates","181663","2020-10-21","18:00:00",""
"7038519","9.841","0.003","11.774","0.003","12.813","0.002","59.904","0.015","67.362","0.019","79.67","0.03","1185.3","0.6","93","","93","","","","","","","","","7","P -1","-P 1","2","","[Pt2Ag2(dfppy)2(Me2pz)4]","","- C44 H44 Ag2 Cl4 F4 N10 Pt2 -","- C44.0006 H40 Ag2 Cl4 F4 N10.0006 Pt2 -","- C44.0006 H40 Ag2 Cl4 F4 N10.0006 Pt2 -","1","0.5","","Nishihara, Kazuki; Ueda, Misa; Higashitani, Ami; Nakao, Yoshihide; Arikawa, Yasuhiro; Horiuchi, Shinnosuke; Sakuda, Eri; Umakoshi, Keisuke","Different structural preference of Ag(i) and Au(i) in neutral and cationic luminescent heteropolynuclear platinum(ii) complexes: Z (U)-shaped Pt2M2 type vs. trinuclear PtM2 type.","Dalton transactions (Cambridge, England : 2003)","2016","45","12","4978","4982","10.1039/c6dt00320f","","","0.71075","MoKα","","","0.0268","","","","0.0642","","","","","","1.073","","","","has coordinates","181663","2020-10-21","18:00:00",""
"7038520","11.74","0.0014","16.5","0.002","21.91","0.003","90","","92.46","0.0019","90","","4240.3","0.9","93","","93","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","[Pt2Ag2(bzq)2(Me2pz)4]","","- C46 H44 Ag2 N10 Pt2 -","- C46 H44 Ag2 N10 Pt2 -","- C184 H176 Ag8 N40 Pt8 -","4","1","","Nishihara, Kazuki; Ueda, Misa; Higashitani, Ami; Nakao, Yoshihide; Arikawa, Yasuhiro; Horiuchi, Shinnosuke; Sakuda, Eri; Umakoshi, Keisuke","Different structural preference of Ag(i) and Au(i) in neutral and cationic luminescent heteropolynuclear platinum(ii) complexes: Z (U)-shaped Pt2M2 type vs. trinuclear PtM2 type.","Dalton transactions (Cambridge, England : 2003)","2016","45","12","4978","4982","10.1039/c6dt00320f","","","0.71075","MoKα","","","0.0374","","","","0.0676","","","","","","1.13","","","","has coordinates","181663","2020-10-21","18:00:00",""
"7038521","11.388","0.002","11.5678","0.0019","12.457","0.003","72.169","0.01","77.301","0.01","68.929","0.009","1446.6","0.5","293","","293","","","","","","","","","7","P -1","-P 1","2","","[PtAu2(dfppy)(Me2pz)3]","","- C26.5 H28 Au2 Cl F2 N7 Pt -","- C26.5 H28 Au2 Cl F2 N7 Pt -","- C53 H56 Au4 Cl2 F4 N14 Pt2 -","2","1","","Nishihara, Kazuki; Ueda, Misa; Higashitani, Ami; Nakao, Yoshihide; Arikawa, Yasuhiro; Horiuchi, Shinnosuke; Sakuda, Eri; Umakoshi, Keisuke","Different structural preference of Ag(i) and Au(i) in neutral and cationic luminescent heteropolynuclear platinum(ii) complexes: Z (U)-shaped Pt2M2 type vs. trinuclear PtM2 type.","Dalton transactions (Cambridge, England : 2003)","2016","45","12","4978","4982","10.1039/c6dt00320f","","","0.71075","MoKα","","0.0666","0.0435","","","0.0892","0.0995","","","","","","1.004","","","","has coordinates","181663","2020-10-21","18:00:00",""
"7038522","10.832","0.002","16.34","0.003","16.739","0.003","90","","105.934","0.004","90","","2848.9","0.9","93","","93","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","[PtAu2(bzq)(Me2pz)3]","","- C28 H29 Au2 N7 Pt -","- C28 H29 Au2 N7 Pt -","- C112 H116 Au8 N28 Pt4 -","4","1","","Nishihara, Kazuki; Ueda, Misa; Higashitani, Ami; Nakao, Yoshihide; Arikawa, Yasuhiro; Horiuchi, Shinnosuke; Sakuda, Eri; Umakoshi, Keisuke","Different structural preference of Ag(i) and Au(i) in neutral and cationic luminescent heteropolynuclear platinum(ii) complexes: Z (U)-shaped Pt2M2 type vs. trinuclear PtM2 type.","Dalton transactions (Cambridge, England : 2003)","2016","45","12","4978","4982","10.1039/c6dt00320f","","","0.71075","MoKα","","","0.0206","","","","0.0436","","","","","","0.971","","","","has coordinates","181663","2020-10-21","18:00:00",""
"7038523","13.979","0.002","17.286","0.003","21.804","0.003","90","","94.44","0.003","90","","5252.9","1.4","93","","93","","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","[Pt2Ag2(bpy)2(Me2pz)4](PF6)2","","- C43 H50 Ag2 F12 N12 O P2 Pt2 -","- C43 H50 Ag2 F12 N12 O P2 Pt2 -","- C172 H200 Ag8 F48 N48 O4 P8 Pt8 -","4","1","","Nishihara, Kazuki; Ueda, Misa; Higashitani, Ami; Nakao, Yoshihide; Arikawa, Yasuhiro; Horiuchi, Shinnosuke; Sakuda, Eri; Umakoshi, Keisuke","Different structural preference of Ag(i) and Au(i) in neutral and cationic luminescent heteropolynuclear platinum(ii) complexes: Z (U)-shaped Pt2M2 type vs. trinuclear PtM2 type.","Dalton transactions (Cambridge, England : 2003)","2016","45","12","4978","4982","10.1039/c6dt00320f","","","0.71075","MoKα","","0.0512","0.0416","","","0.0748","0.0793","","","","","","1.104","","","","has coordinates","181663","2020-10-21","18:00:00",""
"7038524","10.2943","0.0013","11.4915","0.0015","12.268","0.002","86.513","0.005","88.377","0.005","65.233","0.004","1315.3","0.3","93","","93","","","","","","","","","7","P -1","-P 1","2","","[Pt2Au2(bpy)2(Me2pz)4](PF6)2","","- C44 H50 Au2 F12 N14 P2 Pt2 -","- C44 H50 Au2 F12 N14 P2 Pt2 -","- C44 H50 Au2 F12 N14 P2 Pt2 -","1","0.5","","Nishihara, Kazuki; Ueda, Misa; Higashitani, Ami; Nakao, Yoshihide; Arikawa, Yasuhiro; Horiuchi, Shinnosuke; Sakuda, Eri; Umakoshi, Keisuke","Different structural preference of Ag(i) and Au(i) in neutral and cationic luminescent heteropolynuclear platinum(ii) complexes: Z (U)-shaped Pt2M2 type vs. trinuclear PtM2 type.","Dalton transactions (Cambridge, England : 2003)","2016","45","12","4978","4982","10.1039/c6dt00320f","","","0.71075","MoKα","","0.0252","0.0183","","","0.0372","0.0381","","","","","","0.933","","","","has coordinates","181663","2020-10-21","18:00:00",""
"7038525","9.756","0.0008","17.9551","0.0013","11.6909","0.0009","90","","125.72","0.003","90","","1662.6","0.2","298","2","298","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C18 H12 B Cl F2 N2 O -","- C18 H12 B Cl F2 N2 O -","- C72 H48 B4 Cl4 F8 N8 O4 -","4","1","","Qi, Fen; Lin, Jianjian; Wang, Xiaoqing; Cui, Peng; Yan, Hui; Gong, Shuwen; Ma, Chunlin; Liu, Zhipeng; Huang, Wei","New AIE-active pyrimidine-based boronfluoride complexes with high solid-state emission and reversible mechanochromism luminescence behavior.","Dalton transactions (Cambridge, England : 2003)","2016","45","17","7278","7284","10.1039/c6dt00292g","","","0.71073","MoKα","","0.0909","0.0499","","","0.1097","0.129","","","","","","1.012","","","","has coordinates","182750","2020-10-21","18:00:00",""
"7038526","9.9518","0.0008","17.5792","0.0015","10.0373","0.0009","90","","107.906","0.002","90","","1670.9","0.2","298","2","298","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C19 H15 B F2 N2 O2 -","- C19 H15 B F2 N2 O2 -","- C76 H60 B4 F8 N8 O8 -","4","1","","Qi, Fen; Lin, Jianjian; Wang, Xiaoqing; Cui, Peng; Yan, Hui; Gong, Shuwen; Ma, Chunlin; Liu, Zhipeng; Huang, Wei","New AIE-active pyrimidine-based boronfluoride complexes with high solid-state emission and reversible mechanochromism luminescence behavior.","Dalton transactions (Cambridge, England : 2003)","2016","45","17","7278","7284","10.1039/c6dt00292g","","","0.71073","MoKα","","0.0833","0.0401","","","0.0869","0.0996","","","","","","0.957","","","","has coordinates","182750","2020-10-21","18:00:00",""
"7038527","10.2016","0.0007","17.9362","0.0015","10.3169","0.0008","90","","109.317","0.002","90","","1781.5","0.2","298","2","298","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C20 H18 B F2 N3 O -","- C20 H18 B F2 N3 O -","- C80 H72 B4 F8 N12 O4 -","4","1","","Qi, Fen; Lin, Jianjian; Wang, Xiaoqing; Cui, Peng; Yan, Hui; Gong, Shuwen; Ma, Chunlin; Liu, Zhipeng; Huang, Wei","New AIE-active pyrimidine-based boronfluoride complexes with high solid-state emission and reversible mechanochromism luminescence behavior.","Dalton transactions (Cambridge, England : 2003)","2016","45","17","7278","7284","10.1039/c6dt00292g","","","0.71073","MoKα","","0.1171","0.049","","","0.0972","0.1174","","","","","","0.979","","","","has coordinates","182750","2020-10-21","18:00:00",""
"7038528","5.741","0.0005","24.007","0.002","21.4981","0.0019","90","","105.489","0.002","90","","2855.3","0.4","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C30 H22 B F2 N3 O -","- C30 H22 B F2 N3 O -","- C120 H88 B4 F8 N12 O4 -","4","1","","Qi, Fen; Lin, Jianjian; Wang, Xiaoqing; Cui, Peng; Yan, Hui; Gong, Shuwen; Ma, Chunlin; Liu, Zhipeng; Huang, Wei","New AIE-active pyrimidine-based boronfluoride complexes with high solid-state emission and reversible mechanochromism luminescence behavior.","Dalton transactions (Cambridge, England : 2003)","2016","45","17","7278","7284","10.1039/c6dt00292g","","","0.71073","MoKα","","0.218","0.079","","","0.1656","0.2081","","","","","","0.868","","","","has coordinates","182750","2020-10-21","18:00:00",""
"7038529","9.5473","0.0005","10.7596","0.0006","14.1625","0.0008","77.029","0.002","81.295","0.002","70.083","0.002","1328.46","0.13","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H22 N5 Nd O8 -","- C26 H22 N5 Nd O8 -","- C52 H44 N10 Nd2 O16 -","2","1","","Sarkar, Tukki; Banerjee, Samya; Mukherjee, Sanjoy; Hussain, Akhtar","Mitochondrial selectivity and remarkable photocytotoxicity of a ferrocenyl neodymium(iii) complex of terpyridine and curcumin in cancer cells.","Dalton transactions (Cambridge, England : 2003)","2016","45","15","6424","6438","10.1039/c5dt04775g","","","0.71073","MoKα","","0.0278","0.0236","","","0.0583","0.06","","","","","","1.055","","","","has coordinates","182697","2020-10-21","18:00:00",""
"7038530","9.6776","0.0009","16.8062","0.0015","18.2542","0.0017","90","","92.9686","0.0017","90","","2964.9","0.5","140","1","140","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H43 K O6 Si -","- C28 H43 K O6 Si -","- C112 H172 K4 O24 Si4 -","4","1","","Brown, Jessie L.; Montgomery, Ashley C.; Samaan, Christopher A.; Janicke, Michael T.; Scott, Brian L.; Gaunt, Andrew J.","Synthesis and characterization of potassium aryl- and alkyl-substituted silylchalcogenolate ligands.","Dalton transactions (Cambridge, England : 2003)","2016","45","24","9841","9852","10.1039/c5dt04433b","","","0.71073","MoKα","","0.0402","0.031","","","0.0991","0.1048","","","","","","1.604","","","","has coordinates","185387","2020-10-21","18:00:00",""
"7038531","9.188","0.008","10.473","0.009","17.685","0.014","95.93","0.009","93.438","0.009","94.815","0.009","1683","2","140","1","140","1","","","","","","","","6","P -1","-P 1","2","","","","- C32 H43 K O6.5 S Si -","- C30 H39 K O6 S Si -","- C60 H78 K2 O12 S2 Si2 -","2","1","","Brown, Jessie L.; Montgomery, Ashley C.; Samaan, Christopher A.; Janicke, Michael T.; Scott, Brian L.; Gaunt, Andrew J.","Synthesis and characterization of potassium aryl- and alkyl-substituted silylchalcogenolate ligands.","Dalton transactions (Cambridge, England : 2003)","2016","45","24","9841","9852","10.1039/c5dt04433b","","","0.71073","MoKα","","0.1072","0.0564","","","0.1339","0.1594","","","","","","0.781","","","","has coordinates","185387","2020-10-21","18:00:00",""
"7038532","9.2695","0.0005","10.3732","0.0006","18.6978","0.0011","98.7616","0.0012","93.9586","0.0012","95.8326","0.0012","1761.15","0.17","140","1","140","1","","","","","","","","6","P -1","-P 1","2","","","","- C34 H47 K O7 Se Si -","- C34 H47 K O7 Se Si -","- C68 H94 K2 O14 Se2 Si2 -","2","1","","Brown, Jessie L.; Montgomery, Ashley C.; Samaan, Christopher A.; Janicke, Michael T.; Scott, Brian L.; Gaunt, Andrew J.","Synthesis and characterization of potassium aryl- and alkyl-substituted silylchalcogenolate ligands.","Dalton transactions (Cambridge, England : 2003)","2016","45","24","9841","9852","10.1039/c5dt04433b","","","0.71073","MoKα","","0.0417","0.0295","","","0.0665","0.0692","","","","","","1.247","","","","has coordinates","185387","2020-10-21","18:00:00",""
"7038533","9.2562","0.0019","10.431","0.002","19.332","0.004","99.814","0.002","93.297","0.002","96.939","0.002","1819.9","0.6","140","1","140","1","","","","","","","","6","P -1","-P 1","2","","","","- C34 H47 K O7 Si Te -","- C34 H47 K O7 Si Te -","- C68 H94 K2 O14 Si2 Te2 -","2","1","","Brown, Jessie L.; Montgomery, Ashley C.; Samaan, Christopher A.; Janicke, Michael T.; Scott, Brian L.; Gaunt, Andrew J.","Synthesis and characterization of potassium aryl- and alkyl-substituted silylchalcogenolate ligands.","Dalton transactions (Cambridge, England : 2003)","2016","45","24","9841","9852","10.1039/c5dt04433b","","","0.71073","MoKα","","0.0261","0.0231","","","0.0571","0.0585","","","","","","1.231","","","","has coordinates","185387","2020-10-21","18:00:00",""
"7038534","25.991","0.006","9.8","0.002","26.079","0.006","90","","102.188","0.003","90","","6493","2","140","1","140","1","","","","","","","","6","P 1 2/n 1","-P 2yac","13","","","","- C30 H47 K O6.5 S Si -","- C28 H43 K O6 S Si -","- C224 H344 K8 O48 S8 Si8 -","8","2","","Brown, Jessie L.; Montgomery, Ashley C.; Samaan, Christopher A.; Janicke, Michael T.; Scott, Brian L.; Gaunt, Andrew J.","Synthesis and characterization of potassium aryl- and alkyl-substituted silylchalcogenolate ligands.","Dalton transactions (Cambridge, England : 2003)","2016","45","24","9841","9852","10.1039/c5dt04433b","","","0.71073","MoKα","","0.0548","0.0396","","","0.0892","0.0936","","","","","","1.149","","","","has coordinates","185387","2020-10-21","18:00:00",""
"7038535","26.2187","0.0015","9.7757","0.0006","26.2094","0.0015","90","","102.838","0.001","90","","6549.7","0.7","100","1","100","1","","","","","","","","6","P 1 2/n 1","-P 2yac","13","","","","- C30 H47 K O6.5 Se Si -","- C28 H43 K O6 Se Si -","- C224 H344 K8 O48 Se8 Si8 -","8","2","","Brown, Jessie L.; Montgomery, Ashley C.; Samaan, Christopher A.; Janicke, Michael T.; Scott, Brian L.; Gaunt, Andrew J.","Synthesis and characterization of potassium aryl- and alkyl-substituted silylchalcogenolate ligands.","Dalton transactions (Cambridge, England : 2003)","2016","45","24","9841","9852","10.1039/c5dt04433b","","","0.71073","MoKα","","0.0429","0.0332","","","0.1033","0.1112","","","","","","0.868","","","","has coordinates","185387","2020-10-21","18:00:00",""
"7038536","16.0831","0.0011","19.0939","0.0014","21.8387","0.0015","90","","90","","90","","6706.4","0.8","100","1","100","1","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C30 H47 K O6.5 Si Te -","- C30 H47 K O6.5 Si Te -","- C240 H376 K8 O52 Si8 Te8 -","8","2","","Brown, Jessie L.; Montgomery, Ashley C.; Samaan, Christopher A.; Janicke, Michael T.; Scott, Brian L.; Gaunt, Andrew J.","Synthesis and characterization of potassium aryl- and alkyl-substituted silylchalcogenolate ligands.","Dalton transactions (Cambridge, England : 2003)","2016","45","24","9841","9852","10.1039/c5dt04433b","","","0.71073","MoKα","","0.0337","0.0252","","","0.058","0.0614","","","","","","1.059","","","","has coordinates","185387","2020-10-21","18:00:00",""
"7038537","6.841","0.0004","7.0291","0.0003","12.6402","0.0004","90","","90","","90","","607.82","0.05","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","5-hydroxy-2-hydroxymethylpyridin-4(1H)-one","","","- C6 H7 N O3 -","- C6 H7 N O3 -","- C24 H28 N4 O12 -","4","1","","Lachowicz, J. I.; Nurchi, V. M.; Crisponi, G.; Jaraquemada-Pelaez, M G; Arca, M.; Pintus, A.; Santos, M. A.; Quintanova, C.; Gano, L.; Szewczuk, Z.; Zoroddu, M. A.; Peana, M.; Domínguez-Martín, A; Choquesillo-Lazarte, D","Hydroxypyridinones with enhanced iron chelating properties. Synthesis, characterization and in vivo tests of 5-hydroxy-2-(hydroxymethyl)pyridine-4(1H)-one.","Dalton transactions (Cambridge, England : 2003)","2016","45","15","6517","6528","10.1039/c6dt00129g","","","0.71073","MoKα","","0.0278","0.0264","","","0.0666","0.0675","","","","","","1.094","","","","has coordinates","182707","2020-10-21","18:00:00",""
"7038538","4.0937","0.0004","10.2147","0.0009","31.067","0.003","90","","90","","90","","1299.1","0.2","200","","200","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C14 H14 N2 O2 Pt -","- C14 H14 N2 O2 Pt -","- C56 H56 N8 O8 Pt4 -","4","1","","Ohno, Keiji; Yamaguchi, Shohei; Nagasawa, Akira; Fujihara, Takashi","Mechanochromism in the luminescence of novel cyclometalated platinum(ii) complexes with α-aminocarboxylates.","Dalton transactions (Cambridge, England : 2003)","2016","45","13","5492","5503","10.1039/c5dt04516a","","","0.71073","MoKα","","0.0174","0.0167","","","0.0347","0.035","","","","","","1.169","","","","has coordinates","181626","2020-10-21","18:00:00",""
"7038539","17.1936","0.0016","4.1921","0.0004","32.515","0.004","90","","91.621","0.001","90","","2342.7","0.4","200","","200","2","","","","","","","","5","I 1 a 1","I -2ya","9","","","","- C13 H12 N2 O2 Pt -","- C13 H12 N2 O2 Pt -","- C104 H96 N16 O16 Pt8 -","8","2","","Ohno, Keiji; Yamaguchi, Shohei; Nagasawa, Akira; Fujihara, Takashi","Mechanochromism in the luminescence of novel cyclometalated platinum(ii) complexes with α-aminocarboxylates.","Dalton transactions (Cambridge, England : 2003)","2016","45","13","5492","5503","10.1039/c5dt04516a","","","0.71073","MoKα","","0.0185","0.0183","","","0.0455","0.0456","","","","","","1.083","","","","has coordinates","181626","2020-10-21","18:00:00",""
"7038540","18.2826","0.0015","18.2826","0.0015","20.5735","0.0017","90","","90","","90","","6876.8","1","200","","200","","","","","","","","","5","P 43","P 4cw","78","","","","- C17 H20 N2 O2 Pt -","- C17 H20 N2 O2 Pt -","- C272 H320 N32 O32 Pt16 -","16","4","","Ohno, Keiji; Yamaguchi, Shohei; Nagasawa, Akira; Fujihara, Takashi","Mechanochromism in the luminescence of novel cyclometalated platinum(ii) complexes with α-aminocarboxylates.","Dalton transactions (Cambridge, England : 2003)","2016","45","13","5492","5503","10.1039/c5dt04516a","","","0.71073","MoKα","","0.064","0.045","","","0.1053","0.1112","","","","","","0.986","","","","has coordinates","181626","2020-10-21","18:00:00",""
"7038541","23.7936","0.0019","13.7569","0.0011","10.2752","0.0008","90","","93.916","0.001","90","","3355.5","0.5","200","","200","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C15 H16 Cl2 N2 O2 Pt -","- C15 H16 Cl2 N2 O2 Pt -","- C120 H128 Cl16 N16 O16 Pt8 -","8","1","","Ohno, Keiji; Yamaguchi, Shohei; Nagasawa, Akira; Fujihara, Takashi","Mechanochromism in the luminescence of novel cyclometalated platinum(ii) complexes with α-aminocarboxylates.","Dalton transactions (Cambridge, England : 2003)","2016","45","13","5492","5503","10.1039/c5dt04516a","","","0.71073","MoKα","","0.0212","0.0175","","","0.0429","0.0447","","","","","","1.036","","","","has coordinates","181626","2020-10-21","18:00:00",""
"7038542","9.8806","0.0007","14.9744","0.0011","21.8714","0.0016","90","","102.463","0.001","90","","3159.8","0.4","200","","200","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C14.5 H15 Cl N2 O2 Pt -","- C14.5 H15 Cl N2 O2 Pt -","- C116 H120 Cl8 N16 O16 Pt8 -","8","2","","Ohno, Keiji; Yamaguchi, Shohei; Nagasawa, Akira; Fujihara, Takashi","Mechanochromism in the luminescence of novel cyclometalated platinum(ii) complexes with α-aminocarboxylates.","Dalton transactions (Cambridge, England : 2003)","2016","45","13","5492","5503","10.1039/c5dt04516a","","","0.71073","MoKα","","0.0275","0.0198","","","0.0457","0.0486","","","","","","0.996","","","","has coordinates","182989","2020-10-21","18:00:00",""
"7038543","13.6853","0.0013","20.835","0.002","14.5173","0.0014","90","","94.571","0.002","90","","4126.2","0.7","100","0.5","100","0.5","","","","","","","","7","C 1 2/c 1","-C 2yc","15","cwmwm06","[Co(L-NO2)2] PF6","","- C26 H32 Co F6 N6 O6 P -","- C26 H32 Co F6 N6 O6 P -","- C104 H128 Co4 F24 N24 O24 P4 -","4","0.5","","Armstrong, Jessica E.; Crossland, Patrick M.; Frank, Mariah A.; Van Dongen, Matthew J.; McNamara, William R.","Hydrogen evolution catalyzed by a cobalt complex containing an asymmetric Schiff-base ligand.","Dalton transactions (Cambridge, England : 2003)","2016","45","13","5430","5433","10.1039/c5dt04924e","","","0.71073","MoKα","","0.0786","0.055","","","0.1584","0.1759","","","","","","1.051","","","","has coordinates,has disorder","181631","2020-10-21","18:00:00",""
"7038544","9.4521","0.0006","16.0515","0.0011","14.5677","0.001","90","","93.8772","0.0008","90","","2205.2","0.3","133","2","133","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","Ni(LIPr)(CO)3","[Nickle(0)-tricarbonyl-(2,8,9-triisopropyl-2,3,8,9-tetraaza-1-phosphabicyclo[3,3,3]undecane)]","","- C18 H33 N4 Ni O3 P -","- C18 H33 N4 Ni O3 P -","- C72 H132 N16 Ni4 O12 P4 -","4","1","","Thammavongsy, Zachary; Kha, Ivy M.; Ziller, Joseph W.; Yang, Jenny Y.","Electronic and steric Tolman parameters for proazaphosphatranes, the superbase core of the tri(pyridylmethyl)azaphosphatrane (TPAP) ligand.","Dalton transactions (Cambridge, England : 2003)","2016","45","24","9853","9859","10.1039/c6dt00326e","","","0.71073","MoKα","","0.0544","0.0359","","","0.0749","0.081","","","","","","1.22","","","","has coordinates","185378","2020-10-21","18:00:00",""
"7038545","10.4524","0.0005","17.9047","0.0008","13.5993","0.0006","90","","97.2348","0.0006","90","","2524.8","0.2","88","2","88","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","Ni(LiBu)(CO)3","[Nickle(0)-tricarbonyl-(2,8,9-triisobutyl-2,3,8,9-tetraaza-1-phosphabicyclo[3,3,3]undecane)]","","- C21 H39 N4 Ni O3 P -","- C21 H39 N4 Ni O3 P -","- C84 H156 N16 Ni4 O12 P4 -","4","1","","Thammavongsy, Zachary; Kha, Ivy M.; Ziller, Joseph W.; Yang, Jenny Y.","Electronic and steric Tolman parameters for proazaphosphatranes, the superbase core of the tri(pyridylmethyl)azaphosphatrane (TPAP) ligand.","Dalton transactions (Cambridge, England : 2003)","2016","45","24","9853","9859","10.1039/c6dt00326e","","","0.71073","MoKα","","0.0341","0.0272","","","0.0665","0.0701","","","","","","1.029","","","","has coordinates,has disorder","185378","2020-10-21","18:00:00",""
"7038546","9.7263","0.0008","23.412","0.002","12.5881","0.0011","90","","99.316","0.001","90","","2828.7","0.4","133","2","133","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","Ni(LBz)(CO)3","[Nickle(0)-tricarbonyl-(2,8,9-tribenzyl-2,3,8,9-tetraaza-1-phosphabicyclo[3,3,3]undecane)]","","- C30 H33 N4 Ni O3 P -","- C30 H33 N4 Ni O3 P -","- C120 H132 N16 Ni4 O12 P4 -","4","1","","Thammavongsy, Zachary; Kha, Ivy M.; Ziller, Joseph W.; Yang, Jenny Y.","Electronic and steric Tolman parameters for proazaphosphatranes, the superbase core of the tri(pyridylmethyl)azaphosphatrane (TPAP) ligand.","Dalton transactions (Cambridge, England : 2003)","2016","45","24","9853","9859","10.1039/c6dt00326e","","","0.71073","MoKα","","0.047","0.04","","","0.1283","0.1393","","","","","","1.168","","","","has coordinates","185378","2020-10-21","18:00:00",""
"7038547","8.5551","0.0005","19.4034","0.0012","15.9663","0.001","90","","104.797","0.001","90","","2562.5","0.3","133","2","133","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","Ni(LMe)2(CO)2","[Nickle (0) dicarbonyl-(Bis(2,8,9-trimethyl-2,3,8,9-tetraaza-1-phosphabicyclo[3,3,3]))]","","- C20 H42 N8 Ni O2 P2 -","- C20 H42 N8 Ni O2 P2 -","- C80 H168 N32 Ni4 O8 P8 -","4","1","","Thammavongsy, Zachary; Kha, Ivy M.; Ziller, Joseph W.; Yang, Jenny Y.","Electronic and steric Tolman parameters for proazaphosphatranes, the superbase core of the tri(pyridylmethyl)azaphosphatrane (TPAP) ligand.","Dalton transactions (Cambridge, England : 2003)","2016","45","24","9853","9859","10.1039/c6dt00326e","","","0.71073","MoKα","","0.0242","0.0232","","","0.1097","0.1122","","","","","","1.056","","","","has coordinates","185378","2020-10-21","18:00:00",""
"7038548","12.8799","0.0006","14.0169","0.0007","15.4714","0.0007","90","","109.663","0.001","90","","2630.3","0.2","88","2","88","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","Ni(TPAP)(CO)2","[Nickle (0) dicarbonyl-(2,8,9-tri(2-pyridinemethyl)-2,3,8,9-tetraaza-1-phosphabicyclo-[3,3,3]undecane)]","","- C26 H30 N7 Ni O2 P -","- C26 H30 N7 Ni O2 P -","- C104 H120 N28 Ni4 O8 P4 -","4","1","","Thammavongsy, Zachary; Kha, Ivy M.; Ziller, Joseph W.; Yang, Jenny Y.","Electronic and steric Tolman parameters for proazaphosphatranes, the superbase core of the tri(pyridylmethyl)azaphosphatrane (TPAP) ligand.","Dalton transactions (Cambridge, England : 2003)","2016","45","24","9853","9859","10.1039/c6dt00326e","","","0.71073","MoKα","","0.038","0.0291","","","0.0753","0.0776","","","","","","1.045","","","","has coordinates","185378","2020-10-21","18:00:00",""
"7038549","36.8146","0.0006","14.068","0.0002","26.0748","0.0004","90","","103.843","0.002","90","","13112.1","0.4","150","2","150","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C59 H70 B2 F24 N P2 Rh -","- C59 H70 B2 F24 N P2 Rh -","- C472 H560 B16 F192 N8 P16 Rh8 -","8","2","","Kumar, Amit; Priest, Isobel K.; Hooper, Thomas N.; Weller, Andrew S.","Variable coordination modes and catalytic dehydrogenation of B-phenyl amine-boranes.","Dalton transactions (Cambridge, England : 2003)","2016","45","14","6183","6195","10.1039/c6dt00197a","","","1.54178","CuKα","","0.052","0.0423","","","0.1115","0.1206","","","","","","0.956","","","","has coordinates,has disorder","181720","2020-10-21","18:00:00",""
"7038550","25.1599","0.0002","18.7874","0.0001","26.2494","0.0002","90","","90","","90","","12407.8","0.15","150","2","150","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C56 H62 B2 F24 N P2 Rh -","- C56 H62 B2 F24 N P2 Rh -","- C448 H496 B16 F192 N8 P16 Rh8 -","8","1","","Kumar, Amit; Priest, Isobel K.; Hooper, Thomas N.; Weller, Andrew S.","Variable coordination modes and catalytic dehydrogenation of B-phenyl amine-boranes.","Dalton transactions (Cambridge, England : 2003)","2016","45","14","6183","6195","10.1039/c6dt00197a","","","1.54178","CuKα","","0.0478","0.0393","","","0.1141","0.1216","","","","","","0.787","","","","has coordinates,has disorder","181720","2020-10-21","18:00:00",""
"7038551","51.6071","0.0004","19.7098","0.0002","14.211","0.0001","90","","90","","90","","14454.9","0.2","150","2","150","2","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C65 H82 B2 F24 N P2 Rh -","- C65 H82 B2 F24 N P2 Rh -","- C520 H656 B16 F192 N8 P16 Rh8 -","8","2","","Kumar, Amit; Priest, Isobel K.; Hooper, Thomas N.; Weller, Andrew S.","Variable coordination modes and catalytic dehydrogenation of B-phenyl amine-boranes.","Dalton transactions (Cambridge, England : 2003)","2016","45","14","6183","6195","10.1039/c6dt00197a","","","1.54178","CuKα","","0.0548","0.0517","","","0.1291","0.1318","","","","","","0.867","","","","has coordinates,has disorder","181720","2020-10-21","18:00:00",""
"7038552","13.05","0.003","13.326","0.003","20.491","0.004","104.04","0.03","94.17","0.03","95.59","0.03","3423.4","1.4","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C70 H58 B2 F24 N P2 Rh -","- C70 H58 B2 F24 N P2 Rh -","- C140 H116 B4 F48 N2 P4 Rh2 -","2","1","","Kumar, Amit; Priest, Isobel K.; Hooper, Thomas N.; Weller, Andrew S.","Variable coordination modes and catalytic dehydrogenation of B-phenyl amine-boranes.","Dalton transactions (Cambridge, England : 2003)","2016","45","14","6183","6195","10.1039/c6dt00197a","","","0.71073","MoKα","","0.0511","0.0393","","","0.0968","0.1061","","","","","","0.838","","","","has coordinates,has disorder","181720","2020-10-21","18:00:00",""
"7038553","12.992","0.0003","13.1179","0.0003","20.8103","0.0006","106.257","0.002","93.765","0.002","95.408","0.002","3373.93","0.15","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C68 H54 B2 F24 N P2 Rh -","- C68 H54 B2 F24 N P2 Rh -","- C136 H108 B4 F48 N2 P4 Rh2 -","2","1","","Kumar, Amit; Priest, Isobel K.; Hooper, Thomas N.; Weller, Andrew S.","Variable coordination modes and catalytic dehydrogenation of B-phenyl amine-boranes.","Dalton transactions (Cambridge, England : 2003)","2016","45","14","6183","6195","10.1039/c6dt00197a","","","1.54178","CuKα","","0.0303","0.0278","","","0.0725","0.0741","","","","","","1.049","","","","has coordinates,has disorder","181720","2020-10-21","18:00:00",""
"7038554","25.3462","0.0003","18.3643","0.0002","25.7382","0.0003","90","","90","","90","","11980.2","0.2","150","2","150","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C55 H60 B2 F24 N P2 Rh -","- C55 H60 B2 F24 N P2 Rh -","- C440 H480 B16 F192 N8 P16 Rh8 -","8","1","","Kumar, Amit; Priest, Isobel K.; Hooper, Thomas N.; Weller, Andrew S.","Variable coordination modes and catalytic dehydrogenation of B-phenyl amine-boranes.","Dalton transactions (Cambridge, England : 2003)","2016","45","14","6183","6195","10.1039/c6dt00197a","","","1.54178","CuKα","","0.0636","0.0549","","","0.1531","0.1666","","","","","","0.841","","","","has coordinates,has disorder","181720","2020-10-21","18:00:00",""
"7038555","39.521","0.0018","12.9114","0.0004","53.766","0.002","90","","110.023","0.005","90","","25776.9","1.9","150","2","150","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C58 H68 B2 F24 N P2 Rh -","- C58 H68 B2 F24 N P2 Rh -","- C928 H1088 B32 F384 N16 P32 Rh16 -","16","2","","Kumar, Amit; Priest, Isobel K.; Hooper, Thomas N.; Weller, Andrew S.","Variable coordination modes and catalytic dehydrogenation of B-phenyl amine-boranes.","Dalton transactions (Cambridge, England : 2003)","2016","45","14","6183","6195","10.1039/c6dt00197a","","","1.54178","CuKα","","0.1404","0.089","","","0.208","0.2482","","","","","","0.994","","","","has coordinates,has disorder","181720","2020-10-21","18:00:00",""
"7038556","12.3669","0.0008","14.4784","0.0013","18.9906","0.0011","103.872","0.006","103.598","0.005","91.524","0.006","3196.2","0.4","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C58 H66 B2 F24 N P2 Rh -","- C58 H66 B2 F24 N P2 Rh -","- C116 H132 B4 F48 N2 P4 Rh2 -","2","1","","Kumar, Amit; Priest, Isobel K.; Hooper, Thomas N.; Weller, Andrew S.","Variable coordination modes and catalytic dehydrogenation of B-phenyl amine-boranes.","Dalton transactions (Cambridge, England : 2003)","2016","45","14","6183","6195","10.1039/c6dt00197a","","","1.54178","CuKα","","0.1292","0.0834","","","0.223","0.2658","","","","","","0.999","","","","has coordinates,has disorder","181720","2020-10-21","18:00:00",""
"7038557","11.55","0.002","21.924","0.004","14.508","0.003","90","","108.88","0.03","90","","3476.1","1.3","200","2","200","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","MnBr2(18-crown-6)","","- C12 H24 Br2 Mn O6 -","- C12 H24 Br2 Mn O6 -","- C96 H192 Br16 Mn8 O48 -","8","2","","Hausmann, David; Kuzmanoski, Ana; Feldmann, Claus","MnBr2/18-crown-6 coordination complexes showing high room temperature luminescence and quantum yield.","Dalton transactions (Cambridge, England : 2003)","2016","45","15","6541","6547","10.1039/c6dt00458j","","","0.71073","MoKα","","0.074","0.0496","","","0.1177","0.1303","","","","","","0.962","","","","has coordinates","182692","2020-10-21","18:00:00",""
"7038558","16.802","0.003","10.888","0.002","21.772","0.004","90","","94.28","0.03","90","","3971.9","1.3","200","2","200","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Mn3Br6(18-crown-6)2","","- C24 H48 Br6 Mn3 O12 -","- C24 H48 Br6 Mn3 O12 -","- C96 H192 Br24 Mn12 O48 -","4","1","","Hausmann, David; Kuzmanoski, Ana; Feldmann, Claus","MnBr2/18-crown-6 coordination complexes showing high room temperature luminescence and quantum yield.","Dalton transactions (Cambridge, England : 2003)","2016","45","15","6541","6547","10.1039/c6dt00458j","","","0.71073","MoKα","","0.0779","0.0538","","","0.136","0.1486","","","","","","1.092","","","","has coordinates","182692","2020-10-21","18:00:00",""
"7038559","8.4459","0.0017","13.981","0.003","10.684","0.002","90","","111.9","0.03","90","","1170.5","0.5","200","2","200","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Mn3Br6(18-crown-6)","","- C12 H24 Br6 Mn3 O6 -","- C12 H24 Br6 Mn3 O6 -","- C24 H48 Br12 Mn6 O12 -","2","0.5","","Hausmann, David; Kuzmanoski, Ana; Feldmann, Claus","MnBr2/18-crown-6 coordination complexes showing high room temperature luminescence and quantum yield.","Dalton transactions (Cambridge, England : 2003)","2016","45","15","6541","6547","10.1039/c6dt00458j","","","0.71073","MoKα","","0.0677","0.0577","","","0.1486","0.1569","","","","","","1.004","","","","has coordinates","182692","2020-10-21","18:00:00",""
"7038560","11.6177","0.0004","8.5331","0.0003","17.2925","0.0006","90","","109.559","0.002","90","","1615.37","0.1","173","","173","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H18 N2 O9 -","- C14 H18 N2 O9 -","- C56 H72 N8 O36 -","4","1","","Mäkelä, T; Rissanen, K.","Ion pair complexes and anion binding in the solution of a ditopic receptor.","Dalton transactions (Cambridge, England : 2003)","2016","45","15","6481","6490","10.1039/c6dt00414h","","x-ray","0.71073","MoKα","","0.0517","0.0369","","","0.0822","0.0903","","","","","","1.065","","","","has coordinates","182695","2020-10-21","18:00:00",""
"7038561","15.41305","0.00015","23.7285","0.0002","18.50903","0.00016","90","","95.2966","0.0009","90","","6740.38","0.1","123","0.1","123","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C62 H75.6 N12 O26 -","- C62 H75.6 N12 O26 -","- C248 H302.4 N48 O104 -","4","1","","Mäkelä, T; Rissanen, K.","Ion pair complexes and anion binding in the solution of a ditopic receptor.","Dalton transactions (Cambridge, England : 2003)","2016","45","15","6481","6490","10.1039/c6dt00414h","","","1.54184","CuKα","","0.0687","0.0598","","","0.1655","0.1758","","","","","","1.012","","","","has coordinates,has disorder","182695","2020-10-21","18:00:00",""
"7038562","10.7159","0.0001","11.3107","0.0002","15.4992","0.0003","101.458","0.001","95.3","0.001","100.491","0.001","1794.18","0.05","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","","","- C34 H44 N8 O13 -","- C34 H44 N8 O13 -","- C68 H88 N16 O26 -","2","1","","Mäkelä, T; Rissanen, K.","Ion pair complexes and anion binding in the solution of a ditopic receptor.","Dalton transactions (Cambridge, England : 2003)","2016","45","15","6481","6490","10.1039/c6dt00414h","","x-ray","0.71073","MoKα","","0.0501","0.0422","","","0.1037","0.1088","","","","","","1.028","","","","has coordinates","182695","2020-10-21","18:00:00",""
"7038563","8.8481","0.0003","10.1334","0.0004","18.5466","0.0006","86.562","0.003","89.252","0.003","80.827","0.003","1638.68","0.1","134.41","0.1","134.41","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C30 H36 N6 O12 S -","- C30 H36 N6 O12 S -","- C60 H72 N12 O24 S2 -","2","1","","Mäkelä, T; Rissanen, K.","Ion pair complexes and anion binding in the solution of a ditopic receptor.","Dalton transactions (Cambridge, England : 2003)","2016","45","15","6481","6490","10.1039/c6dt00414h","","x-ray","1.54184","CuKα","","0.065","0.0591","","","0.159","0.1657","","","","","","1.065","","","","has coordinates,has disorder","182695","2020-10-21","18:00:00",""
"7038564","15.8385","0.00018","23.7838","0.0003","18.5462","0.0002","90","","90.8013","0.0011","90","","6985.67","0.14","123.01","0.1","123.01","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C56 H60 Cl2 N12 Na2 O22 -","- C56 H60 Cl2 N12 Na2 O22 -","- C224 H240 Cl8 N48 Na8 O88 -","4","1","","Mäkelä, T; Rissanen, K.","Ion pair complexes and anion binding in the solution of a ditopic receptor.","Dalton transactions (Cambridge, England : 2003)","2016","45","15","6481","6490","10.1039/c6dt00414h","","","1.54184","CuKα","","0.0714","0.0658","","","0.2023","0.2092","","","","","","1.117","","","","has coordinates,has disorder","182695","2020-10-21","18:00:00",""
"7038565","9.4682","0.0003","12.1247","0.0003","16.1742","0.0005","72.838","0.003","87.307","0.002","87.437","0.002","1771.22","0.09","123.01","0.1","123.01","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C30 H33 Br N7 Na O12 -","- C30 H33 Br N7 Na O12 -","- C60 H66 Br2 N14 Na2 O24 -","2","1","","Mäkelä, T; Rissanen, K.","Ion pair complexes and anion binding in the solution of a ditopic receptor.","Dalton transactions (Cambridge, England : 2003)","2016","45","15","6481","6490","10.1039/c6dt00414h","","","1.54184","CuKα","","0.0324","0.0309","","","0.0828","0.0843","","","","","","1.033","","","","has coordinates,has disorder","182695","2020-10-21","18:00:00",""
"7038566","22.1422","0.0005","7.22931","0.00019","42.6101","0.0013","90","","100.291","0.003","90","","6711","0.3","134.41","0.1","134.41","0.1","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C29.5 H31 I N6 Na O11.75 -","- C29.5 H34 I N6 Na O11.75 -","- C236 H272 I8 N48 Na8 O94 -","8","1","","Mäkelä, T; Rissanen, K.","Ion pair complexes and anion binding in the solution of a ditopic receptor.","Dalton transactions (Cambridge, England : 2003)","2016","45","15","6481","6490","10.1039/c6dt00414h","","x-ray","1.54184","CuKα","","0.0423","0.0386","","","0.0972","0.1007","","","","","","1.038","","","","has coordinates,has disorder","182695","2020-10-21","18:00:00",""
"7038567","52.08","0.002","43.9225","0.0008","27.7395","0.0006","90","","90","","90","","63454","3","123.01","0.1","123.01","0.1","","","","","","","","6","F d d 2","F 2 -2d","43","","","","- C117.6 H140.75 F2 K2 N25.45 O51.95 -","- C117.6 H140.75 F2 K2 N25.45 O51.95 -","- C1881.6 H2252 F32 K32 N407.2 O831.2 -","16","1","","Mäkelä, T; Rissanen, K.","Ion pair complexes and anion binding in the solution of a ditopic receptor.","Dalton transactions (Cambridge, England : 2003)","2016","45","15","6481","6490","10.1039/c6dt00414h","","x-ray","1.54184","CuKα","","0.0873","0.0823","","","0.2222","0.2316","","","","","","1.064","","","","has coordinates,has disorder","182695","2020-10-21","18:00:00",""
"7038568","10.5214","0.0002","15.412","0.0004","21.1832","0.0005","105.004","0.002","97.408","0.002","109.292","0.002","3043.68","0.14","123.01","0.1","123.01","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C56 H62 Cl K N12 O23 -","- C56 H62 Cl K N12 O23 -","- C112 H124 Cl2 K2 N24 O46 -","2","1","","Mäkelä, T; Rissanen, K.","Ion pair complexes and anion binding in the solution of a ditopic receptor.","Dalton transactions (Cambridge, England : 2003)","2016","45","15","6481","6490","10.1039/c6dt00414h","","x-ray","1.54184","CuKα","","0.0583","0.0542","","","0.1489","0.1551","","","","","","1.059","","","","has coordinates","182695","2020-10-21","18:00:00",""
"7038569","14.9756","0.0003","26.2676","0.0005","16.2138","0.0003","90","","97.748","0.002","90","","6319.8","0.2","123.01","0.1","123.01","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C59 H67 Br K N13 O23 -","- C59 H67 Br K N13 O23 -","- C236 H268 Br4 K4 N52 O92 -","4","1","","Mäkelä, T; Rissanen, K.","Ion pair complexes and anion binding in the solution of a ditopic receptor.","Dalton transactions (Cambridge, England : 2003)","2016","45","15","6481","6490","10.1039/c6dt00414h","","x-ray","1.54184","CuKα","","0.0678","0.05","","","0.1185","0.1288","","","","","","1.057","","","","has coordinates","182695","2020-10-21","18:00:00",""
"7038570","15.5513","0.0004","25.384","0.0006","16.1619","0.0004","90","","96.677","0.002","90","","6336.7","0.3","123","0.1","123","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C56 H60 I K N12 O22 -","- C56 H60 I K N12 O22 -","- C224 H240 I4 K4 N48 O88 -","4","1","","Mäkelä, T; Rissanen, K.","Ion pair complexes and anion binding in the solution of a ditopic receptor.","Dalton transactions (Cambridge, England : 2003)","2016","45","15","6481","6490","10.1039/c6dt00414h","","x-ray","1.54184","CuKα","","0.0705","0.0596","","","0.1521","0.1571","","","","","","1.068","","","","has coordinates","182695","2020-10-21","18:00:00",""
"7038571","14.0458","0.0003","15.7391","0.0004","18.0442","0.0004","83.6625","0.0019","71.3472","0.0018","65.19","0.002","3429.33","0.15","123","0.1","123","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C59.5 H71.5 F N12 O24.5 Rb -","- C59.5 H71.5 F N12 O24.5 Rb -","- C119 H143 F2 N24 O49 Rb2 -","2","1","","Mäkelä, T; Rissanen, K.","Ion pair complexes and anion binding in the solution of a ditopic receptor.","Dalton transactions (Cambridge, England : 2003)","2016","45","15","6481","6490","10.1039/c6dt00414h","","","1.54184","CuKα","","0.0377","0.0362","","","0.0952","0.0964","","","","","","1.044","","","","has coordinates,has disorder","182695","2020-10-21","18:00:00",""
"7038572","10.38455","0.00015","12.4289","0.0002","25.4568","0.0005","91.9928","0.0015","92.1858","0.0014","91.3214","0.0013","3280.32","0.1","123.01","0.1","123.01","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C57 H64 Cl N12 O23 Rb -","- C57 H64 Cl N12 O23 Rb -","- C114 H128 Cl2 N24 O46 Rb2 -","2","1","","Mäkelä, T; Rissanen, K.","Ion pair complexes and anion binding in the solution of a ditopic receptor.","Dalton transactions (Cambridge, England : 2003)","2016","45","15","6481","6490","10.1039/c6dt00414h","","","1.54184","CuKα","","0.063","0.0608","","","0.1541","0.1552","","","","","","1.125","","","","has coordinates,has disorder","182695","2020-10-21","18:00:00",""
"7038573","15.4923","0.0004","25.4062","0.0006","16.2455","0.0004","90","","96.788","0.002","90","","6349.4","0.3","123.01","0.1","123.01","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C57.5 H63.5 I N12.5 O22.5 Rb -","- C57.5 H63.5 I N12.5 O22.5 Rb -","- C230 H254 I4 N50 O90 Rb4 -","4","1","","Mäkelä, T; Rissanen, K.","Ion pair complexes and anion binding in the solution of a ditopic receptor.","Dalton transactions (Cambridge, England : 2003)","2016","45","15","6481","6490","10.1039/c6dt00414h","","x-ray","1.54184","CuKα","","0.0538","0.0456","","","0.1391","0.1421","","","","","","1.042","","","","has coordinates,has disorder","182695","2020-10-21","18:00:00",""
"7038574","13.5662","0.0003","23.6439","0.0006","24.71","0.0006","69.244","0.002","79.577","0.002","79.064","0.002","7220.9","0.3","110","","110","","","","","","","","","6","P -1","-P 1","2","","","","- C241 H354 Cl34 Ge8 N16 O48 -","- C241 H354 Cl34 Ge8 N16 O48 -","- C241 H354 Cl34 Ge8 N16 O48 -","1","0.5","","Kitschke, Philipp; Walter, Marc; Rüffer, Tobias; Lang, Heinrich; Kovalenko, Maksym V.; Mehring, Michael","From molecular germanates to microporous Ge@C via twin polymerization.","Dalton transactions (Cambridge, England : 2003)","2016","45","13","5741","5751","10.1039/c6dt00049e","","","0.71073","MoKα","","0.0665","0.0517","","","0.128","0.1349","","","","","","1.037","","","","has coordinates,has disorder","181641","2020-10-21","18:00:00",""
"7038575","10.5372","0.0005","14.226","0.0008","14.3811","0.0008","118.392","0.006","92.482","0.004","93.965","0.004","1884.8","0.2","110","","110","","","","","","","","","5","P -1","-P 1","2","","","","- C38 H57 Ge N O6 -","- C38 H57 Ge N O6 -","- C76 H114 Ge2 N2 O12 -","2","1","","Kitschke, Philipp; Walter, Marc; Rüffer, Tobias; Lang, Heinrich; Kovalenko, Maksym V.; Mehring, Michael","From molecular germanates to microporous Ge@C via twin polymerization.","Dalton transactions (Cambridge, England : 2003)","2016","45","13","5741","5751","10.1039/c6dt00049e","","","0.71073","MoKα","","0.0319","0.0281","","","0.0693","0.0709","","","","","","1.064","","","","has coordinates","181641","2020-10-21","18:00:00",""
"7038576","25.226","0.005","20.08","0.003","24.17","0.006","90","","120.32","0.03","90","","10568","5","110","","110","","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C25.5 H35 Cl Ge N2 O6 -","- C25.5 H35 Cl Ge N2 O6 -","- C408 H560 Cl16 Ge16 N32 O96 -","16","2","","Kitschke, Philipp; Walter, Marc; Rüffer, Tobias; Lang, Heinrich; Kovalenko, Maksym V.; Mehring, Michael","From molecular germanates to microporous Ge@C via twin polymerization.","Dalton transactions (Cambridge, England : 2003)","2016","45","13","5741","5751","10.1039/c6dt00049e","","","1.54184","CuKα","","0.0695","0.0427","","","0.0903","0.0985","","","","","","1.024","","","","has coordinates","181641","2020-10-21","18:00:00",""
"7038577","9.7936","0.0011","15.2603","0.0018","17.429","0.0018","84.484","0.005","86.573","0.005","79.91","0.005","2550.2","0.5","150","2","150","2","","","","","","","synthesis as described","8","P -1","-P 1","2","","","","- C50 H46 Cl4 Cu2 N4 O6 P2 S2 -","- C50 H46 Cl4 Cu2 N4 O6 P2 S2 -","- C100 H92 Cl8 Cu4 N8 O12 P4 S4 -","2","1","","Vazart, F.; Savel, P.; Latouche, C.; Barone, V.; Camerel, F.; Roisnel, T.; Fillaut, J.-L.; Akdas-Kilig, H; Achard, M.","Neutral copper(i) complexes featuring phosphinesulfonate chelates.","Dalton transactions (Cambridge, England : 2003)","2016","45","15","6566","6573","10.1039/c6dt00593d","","x-ray","0.71073","MoKα","","0.1279","0.1122","","","0.3091","0.3167","","","","","","1.074","","","","has coordinates","182683","2020-10-21","18:00:00",""
"7038578","9.3556","0.0003","12.7473","0.0004","16.0649","0.0005","72.391","0.002","81.722","0.001","71.367","0.001","1728.01","0.1","150","2","150","2","","","","","","","synthesis as described","8","P -1","-P 1","2","","","","- C32 H32 Cl4 Cu N4 O3 P S -","- C32 H32 Cl4 Cu N4 O3 P S -","- C64 H64 Cl8 Cu2 N8 O6 P2 S2 -","2","1","","Vazart, F.; Savel, P.; Latouche, C.; Barone, V.; Camerel, F.; Roisnel, T.; Fillaut, J.-L.; Akdas-Kilig, H; Achard, M.","Neutral copper(i) complexes featuring phosphinesulfonate chelates.","Dalton transactions (Cambridge, England : 2003)","2016","45","15","6566","6573","10.1039/c6dt00593d","","x-ray","0.71073","MoKα","","0.0498","0.0377","","","0.0897","0.0963","","","","","","1.041","","","","has coordinates","182683","2020-10-21","18:00:00",""
"7038579","32.0544","0.0011","14.5116","0.0006","18.9107","0.0008","90","","125.296","0.001","90","","7179.5","0.5","150","2","150","2","","","","","","","synthesis as described","7","C 1 2/c 1","-C 2yc","15","","","","- C40 H32 Cu N4 O3 P S -","- C40 H32 Cu N4 O3 P S -","- C320 H256 Cu8 N32 O24 P8 S8 -","8","1","","Vazart, F.; Savel, P.; Latouche, C.; Barone, V.; Camerel, F.; Roisnel, T.; Fillaut, J.-L.; Akdas-Kilig, H; Achard, M.","Neutral copper(i) complexes featuring phosphinesulfonate chelates.","Dalton transactions (Cambridge, England : 2003)","2016","45","15","6566","6573","10.1039/c6dt00593d","","x-ray","0.71073","MoKα","","0.0681","0.0467","","","0.1096","0.1179","","","","","","1.012","","","","has coordinates","182683","2020-10-21","18:00:00",""
"7038580","10.456","0.0003","11.375","0.0005","18.0053","0.0008","90","","106.129","0.002","90","","2057.2","0.14","150","2","150","2","","","","","","","synthesis as described","6","P 1 21/n 1","-P 2yn","14","","","","- C40 H44 Cu2 O10 P2 S2 -","- C40 H44 Cu2 O10 P2 S2 -","- C80 H88 Cu4 O20 P4 S4 -","2","0.5","","Vazart, F.; Savel, P.; Latouche, C.; Barone, V.; Camerel, F.; Roisnel, T.; Fillaut, J.-L.; Akdas-Kilig, H; Achard, M.","Neutral copper(i) complexes featuring phosphinesulfonate chelates.","Dalton transactions (Cambridge, England : 2003)","2016","45","15","6566","6573","10.1039/c6dt00593d","","x-ray","0.71073","MoKα","","0.0591","0.0409","","","0.0798","0.0865","","","","","","1.001","","","","has coordinates","182683","2020-10-21","18:00:00",""
"7038581","12.434","0.005","12.685","0.005","30.441","0.005","87.927","0.005","87.149","0.005","75.801","0.005","4647","3","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C58 H180 Cd8 Ge16 N46 O128 V24 -","- C58 H170 Cd8 Ge16 N46 O128 V24 -","- C58 H170 Cd8 Ge16 N46 O128 V24 -","1","0.5","","Wei, Mei-Jie; Zang, Hong-Ying; Zhou, En-Long; Shao, Kui-Zhan; Song, Bai-Qiao; Wang, Xin-Long; Su, Zhong-Min","Coordination and supramolecular assembly of {Cd2Ge8V12O48} building block and cucurbit[6] to form rotaxane-shaped hybrids.","Dalton transactions (Cambridge, England : 2003)","2016","45","12","4989","4992","10.1039/c6dt00496b","","","0.71069","MoKα","","0.0974","0.0549","","","0.1309","0.1526","","","","","","1.008","","","","has coordinates","181652","2020-10-21","18:00:00",""
"7038582","15.524","0.005","19.795","0.005","36.902","0.005","90","0.005","94.457","0.005","90","0.005","11306","5","298","2","298","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C46 H98 Cd4 Ge8 N34 O67 V12 -","- C46 H72 Cd4 Ge8 N34 O67 V12 -","- C184 H288 Cd16 Ge32 N136 O268 V48 -","4","0.5","","Wei, Mei-Jie; Zang, Hong-Ying; Zhou, En-Long; Shao, Kui-Zhan; Song, Bai-Qiao; Wang, Xin-Long; Su, Zhong-Min","Coordination and supramolecular assembly of {Cd2Ge8V12O48} building block and cucurbit[6] to form rotaxane-shaped hybrids.","Dalton transactions (Cambridge, England : 2003)","2016","45","12","4989","4992","10.1039/c6dt00496b","","","0.71069","MoKα","","0.0991","0.0675","","","0.1914","0.2158","","","","","","1.013","","","","has coordinates,has disorder","181652","2020-10-21","18:00:00",""
"7038583","10.6622","0.0002","17.9372","0.0004","19.9486","0.0003","94.962","0.001","103.272","0.001","98.0424","0.0007","3648.8","0.12","293","2","293","2","","","","","","","synthesis as described","6","P -1","-P 1","2","","","","- C22 H37 Cl2 O P Ru -","- C22 H37 Cl2 O P Ru -","- C132 H222 Cl12 O6 P6 Ru6 -","6","3","","Graux, Lionel V.; Giorgi, Michel; Buono, Gérard; Clavier, Hervé","[RuCl2(η(6)-p-cymene)] complexes bearing phosphinous acid ligands: preparation, application in C-H bond functionalization and mechanistic investigations.","Dalton transactions (Cambridge, England : 2003)","2016","45","15","6491","6502","10.1039/c5dt04683a","","x-ray","0.71073","MoKα","","0.0886","0.0438","","","0.1263","0.1103","","","","","","1.069","","","","has coordinates","182686","2020-10-21","18:00:00",""
"7038584","10.3655","0.0002","12.2369","0.0002","17.5309","0.0004","90","","99.16","0.001","90","","2195.29","0.08","293","2","293","2","","","","","","","synthesis as described","6","P 1 21/c 1","-P 2ybc","14","","","","- C22 H25 Cl2 O P Ru -","- C22 H25 Cl2 O P Ru -","- C88 H100 Cl8 O4 P4 Ru4 -","4","1","","Graux, Lionel V.; Giorgi, Michel; Buono, Gérard; Clavier, Hervé","[RuCl2(η(6)-p-cymene)] complexes bearing phosphinous acid ligands: preparation, application in C-H bond functionalization and mechanistic investigations.","Dalton transactions (Cambridge, England : 2003)","2016","45","15","6491","6502","10.1039/c5dt04683a","","x-ray","0.71073","MoKα","","0.0876","0.0394","","","0.0764","0.0878","","","","","","0.989","","","","has coordinates","182686","2020-10-21","18:00:00",""
"7038585","13.0912","0.0003","11.0395","0.0002","16.0317","0.0004","90","","95.422","0.002","90","","2306.54","0.09","293","2","293","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C22 H23 Cl2 F2 O P Ru -","- C22 H23 Cl2 F2 O P Ru -","- C88 H92 Cl8 F8 O4 P4 Ru4 -","4","1","","Graux, Lionel V.; Giorgi, Michel; Buono, Gérard; Clavier, Hervé","[RuCl2(η(6)-p-cymene)] complexes bearing phosphinous acid ligands: preparation, application in C-H bond functionalization and mechanistic investigations.","Dalton transactions (Cambridge, England : 2003)","2016","45","15","6491","6502","10.1039/c5dt04683a","","x-ray","0.71073","MoKα","","0.0553","0.037","","","0.0793","0.0898","","","","","","1.053","","","","has coordinates","204132","2020-10-21","18:00:00",""
"7038586","9.6118","0.0001","12.0417","0.0002","17.5332","0.0003","90","","111.723","0.001","90","","1885.22","0.05","293","2","293","2","","","","","","","synthesis as described","6","P 1 21/c 1","-P 2ybc","14","","","","- C17 H23 Cl2 O P Ru -","- C17 H23 Cl2 O P Ru -","- C68 H92 Cl8 O4 P4 Ru4 -","4","1","","Graux, Lionel V.; Giorgi, Michel; Buono, Gérard; Clavier, Hervé","[RuCl2(η(6)-p-cymene)] complexes bearing phosphinous acid ligands: preparation, application in C-H bond functionalization and mechanistic investigations.","Dalton transactions (Cambridge, England : 2003)","2016","45","15","6491","6502","10.1039/c5dt04683a","","x-ray","0.71073","MoKα","","0.063","0.0337","","","0.0703","0.0767","","","","","","0.963","","","","has coordinates","182686","2020-10-21","18:00:00",""
"7038587","12.9144","0.0002","14.5667","0.0003","13.3764","0.0003","90","","117.086","0.001","90","","2240.39","0.08","293","2","293","2","","","","","","","synthesis as described","6","P 1 21/c 1","-P 2ybc","14","","","","- C20 H29 Cl2 O P Ru -","- C20 H29 Cl2 O P Ru -","- C80 H116 Cl8 O4 P4 Ru4 -","4","1","","Graux, Lionel V.; Giorgi, Michel; Buono, Gérard; Clavier, Hervé","[RuCl2(η(6)-p-cymene)] complexes bearing phosphinous acid ligands: preparation, application in C-H bond functionalization and mechanistic investigations.","Dalton transactions (Cambridge, England : 2003)","2016","45","15","6491","6502","10.1039/c5dt04683a","","x-ray","0.71073","MoKα","","0.0729","0.0486","","","0.1225","0.1358","","","","","","1.049","","","","has coordinates","182686","2020-10-21","18:00:00",""
"7038588","6.8441","0.0001","9.1456","0.0002","36.4541","0.0009","90","","90","","90","","2281.79","0.08","293","2","293","2","","","","","","","synthesis as described","6","P 21 21 21","P 2ac 2ab","19","","","","- C22 H31 Cl2 O P Ru -","- C22 H31 Cl2 O P Ru -","- C88 H124 Cl8 O4 P4 Ru4 -","4","1","","Graux, Lionel V.; Giorgi, Michel; Buono, Gérard; Clavier, Hervé","[RuCl2(η(6)-p-cymene)] complexes bearing phosphinous acid ligands: preparation, application in C-H bond functionalization and mechanistic investigations.","Dalton transactions (Cambridge, England : 2003)","2016","45","15","6491","6502","10.1039/c5dt04683a","","x-ray","0.71073","MoKα","","0.0598","0.0334","","","0.0545","0.0614","","","","","","0.886","","","","has coordinates","182686","2020-10-21","18:00:00",""
"7038589","13.8668","0.0003","12.4679","0.0002","13.8511","0.0002","90","","117.497","0.001","90","","2124.2","0.07","293","2","293","2","","","","","","","synthesis as described","6","P 1 21/c 1","-P 2ybc","14","","","","- C20 H29 Cl2 O P Ru -","- C20 H29 Cl2 O P Ru -","- C80 H116 Cl8 O4 P4 Ru4 -","4","1","","Graux, Lionel V.; Giorgi, Michel; Buono, Gérard; Clavier, Hervé","[RuCl2(η(6)-p-cymene)] complexes bearing phosphinous acid ligands: preparation, application in C-H bond functionalization and mechanistic investigations.","Dalton transactions (Cambridge, England : 2003)","2016","45","15","6491","6502","10.1039/c5dt04683a","","x-ray","0.71073","MoKα","","0.0611","0.0324","","","0.0679","0.0758","","","","","","0.961","","","","has coordinates","182686","2020-10-21","18:00:00",""
"7038590","16.936","0.003","11.92","0.002","20.375","0.004","90","","111.59","0.03","90","","3824.7","1.4","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","benzo[1,2-b:5,4-b']dithiophene bridged dinucelar ruthenium complexes","","- C86 H82 O0.5 P4 Ru2 S2 -","- C86 H82 O0.5 P4 Ru2 S2 -","- C172 H164 O P8 Ru4 S4 -","2","0.5","","Ou, Ya-Ping; Zhang, Jing; Zhang, Fuxing; Kuang, Daizhi; Hartl, František; Rao, Li; Liu, Sheng Hua","Notable differences between oxidized diruthenium complexes bridged by four isomeric diethynyl benzodithiophene ligands.","Dalton transactions (Cambridge, England : 2003)","2016","45","15","6503","6516","10.1039/c6dt00109b","","","0.71073","MoKα","","0.0737","0.0534","","","0.1448","0.1627","","","","","","1.113","","","","has coordinates,has disorder","182689","2020-10-21","18:00:00",""
"7038591","13.848","0.003","16.508","0.003","28.27","0.006","87.931","0.004","77.753","0.004","76.06","0.003","6129","2","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C138 H135 Cl4 P6 Ru3 S3 -","- C138 H135 Cl4 P6 Ru3 S3 -","- C276 H270 Cl8 P12 Ru6 S6 -","2","1","","Ou, Ya-Ping; Zhang, Jing; Zhang, Fuxing; Kuang, Daizhi; Hartl, František; Rao, Li; Liu, Sheng Hua","Notable differences between oxidized diruthenium complexes bridged by four isomeric diethynyl benzodithiophene ligands.","Dalton transactions (Cambridge, England : 2003)","2016","45","15","6503","6516","10.1039/c6dt00109b","","","0.71073","MoKα","","0.1144","0.0741","","","0.2044","0.2413","","","","","","1.01","","","","has coordinates,has disorder","182689","2020-10-21","18:00:00",""
"7038592","16.6322","0.0016","24.054","0.002","38.04","0.004","90","","96.785","0.002","90","","15112","2","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C345 H328 Cl2 P16 Ru8 S8 -","- C345 H328 Cl2 P16 Ru8 S8 -","- C690 H656 Cl4 P32 Ru16 S16 -","2","0.5","","Ou, Ya-Ping; Zhang, Jing; Zhang, Fuxing; Kuang, Daizhi; Hartl, František; Rao, Li; Liu, Sheng Hua","Notable differences between oxidized diruthenium complexes bridged by four isomeric diethynyl benzodithiophene ligands.","Dalton transactions (Cambridge, England : 2003)","2016","45","15","6503","6516","10.1039/c6dt00109b","","","0.71073","MoKα","","0.0851","0.0502","","","0.1298","0.1457","","","","","","1.054","","","","has coordinates,has disorder","182689","2020-10-21","18:00:00",""
"7038593","12.113","0.003","10.113","0.003","21.744","0.006","90","","105.038","0.005","90","","2572.4","1.2","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C25 H22 Cl4 N2 Pd Se -","- C25 H22 Cl4 N2 Pd Se -","- C100 H88 Cl16 N8 Pd4 Se4 -","4","1","","Singh, Mahabir P.; Saleem, Fariha; Rao, Gyandshwar K.; Kumar, S.; Joshi, Hemant; Singh, Ajai K.","Palladacycles of unsymmetrical (N,C(-),E) (E = S/Se) pincers based on indole: their synthesis, structure and application in the catalysis of Heck coupling and allylation of aldehydes.","Dalton transactions (Cambridge, England : 2003)","2016","45","15","6718","6725","10.1039/c6dt00060f","","","0.71073","MoKα","","0.08","0.0537","","","0.1324","0.1447","","","","","","1.046","","","","has coordinates","182690","2020-10-21","18:00:00",""
"7038594","9.037","0.002","9.87","0.003","11.84","0.003","90","","111.558","0.004","90","","982.2","0.4","298","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C11 H10 Cl N O -","- C11 H10 Cl N O -","- C44 H40 Cl4 N4 O4 -","4","1","","Singh, Mahabir P.; Saleem, Fariha; Rao, Gyandshwar K.; Kumar, S.; Joshi, Hemant; Singh, Ajai K.","Palladacycles of unsymmetrical (N,C(-),E) (E = S/Se) pincers based on indole: their synthesis, structure and application in the catalysis of Heck coupling and allylation of aldehydes.","Dalton transactions (Cambridge, England : 2003)","2016","45","15","6718","6725","10.1039/c6dt00060f","","","0.71073","MoKα","","0.0597","0.0535","","","0.1093","0.1127","","","","","","1.129","","","","has coordinates","182690","2020-10-21","18:00:00",""
"7038595","8.671","0.004","19.626","0.008","8.562","0.004","90","","105.042","0.008","90","","1407.1","1.1","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C17 H15 N O S -","- C17 H15 N O S -","- C68 H60 N4 O4 S4 -","4","1","","Singh, Mahabir P.; Saleem, Fariha; Rao, Gyandshwar K.; Kumar, S.; Joshi, Hemant; Singh, Ajai K.","Palladacycles of unsymmetrical (N,C(-),E) (E = S/Se) pincers based on indole: their synthesis, structure and application in the catalysis of Heck coupling and allylation of aldehydes.","Dalton transactions (Cambridge, England : 2003)","2016","45","15","6718","6725","10.1039/c6dt00060f","","","0.71073","MoKα","","0.1123","0.0578","","","0.1051","0.1202","","","","","","0.997","","","","has coordinates","182690","2020-10-21","18:00:00",""
"7038596","12.196","0.003","10.072","0.002","21.811","0.005","90","","105.121","0.006","90","","2586.5","1","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C25 H22 Cl4 N2 Pd S -","- C25 H22 Cl4 N2 Pd S -","- C100 H88 Cl16 N8 Pd4 S4 -","4","1","","Singh, Mahabir P.; Saleem, Fariha; Rao, Gyandshwar K.; Kumar, S.; Joshi, Hemant; Singh, Ajai K.","Palladacycles of unsymmetrical (N,C(-),E) (E = S/Se) pincers based on indole: their synthesis, structure and application in the catalysis of Heck coupling and allylation of aldehydes.","Dalton transactions (Cambridge, England : 2003)","2016","45","15","6718","6725","10.1039/c6dt00060f","","","0.71073","MoKα","","0.1165","0.0701","","","0.1634","0.1839","","","","","","1.036","","","","has coordinates","182690","2020-10-21","18:00:00",""
"7038597","9.3394","0.001","12.925","0.0014","14.064","0.0016","103.44","0.002","102.03","0.003","101.85","0.002","1556.4","0.3","168","2","168","2","","","","","","","","5","P -1","-P 1","2","1[GdCl3(dpa)(py)2]0.5(dpa)0.5(py)","polycatena-[tri-chlorido-(μ-4-[(E)-2-(4-pyridinyl)ethanyl]pyridine) -1κN1:1κN2-bis(pyridine)-gadolinium(III)]0.5([(E)-2-(4-pyridinyl)ethanyl]pyridine) 0.5(pyridine)","","- C31 H31 Cl3 Gd N5 -","- C31 H31 Cl3 Gd N5 -","- C62 H62 Cl6 Gd2 N10 -","2","1","","Dannenbauer, N.; Matthes, P. R.; Müller-Buschbaum, K","Luminescent coordination polymers for the VIS and NIR range constituting LnCl3 and 1,2-bis(4-pyridyl)ethane.","Dalton transactions (Cambridge, England : 2003)","2016","45","15","6529","6540","10.1039/c6dt00152a","","","0.71073","MoKα","","0.0417","0.0369","","","0.0744","0.076","","","","","","1.208","","","","has coordinates","182684","2020-10-21","18:00:00",""
"7038598","9.3175","0.001","12.878","0.0014","13.971","0.0016","103.28","0.002","102.03","0.003","101.88","0.002","1538","0.3","168","2","168","2","","","","","","","","5","P -1","-P 1","2","1[ErCl3(dpa)(py)2]0.5(dpa)0.5(py)","polycatena-[tri-chlorido-(μ-4-[1,2-bis(4-pyridyl) ethane]pyridine) -1κN1:1κN2-bis(pyridine)- erbium(III)]0.5([1,2-bis(4-pyridyl)ethane) 0.5(pyridine)","","- C31 H31 Cl3 Er N5 -","- C31 H31 Cl3 Er N5 -","- C62 H62 Cl6 Er2 N10 -","2","1","","Dannenbauer, N.; Matthes, P. R.; Müller-Buschbaum, K","Luminescent coordination polymers for the VIS and NIR range constituting LnCl3 and 1,2-bis(4-pyridyl)ethane.","Dalton transactions (Cambridge, England : 2003)","2016","45","15","6529","6540","10.1039/c6dt00152a","","","0.71073","MoKα","","0.0296","0.0251","","","0.0538","0.0554","","","","","","0.98","","","","has coordinates","182684","2020-10-21","18:00:00",""
"7038599","9.1981","0.0018","9.7269","0.0019","12.425","0.003","77.92","0.03","79.77","0.03","79.08","0.03","1056.3","0.4","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C15 H15 Cl3 La N4 S3 -","- C14.978 H14.978 Cl3 La N4 S3.022 -","- C29.956 H29.956 Cl6 La2 N8 S6.044 -","2","1","","Dannenbauer, N.; Matthes, P. R.; Müller-Buschbaum, K","Luminescent coordination polymers for the VIS and NIR range constituting LnCl3 and 1,2-bis(4-pyridyl)ethane.","Dalton transactions (Cambridge, England : 2003)","2016","45","15","6529","6540","10.1039/c6dt00152a","","","0.71073","MoKα","","0.0252","0.023","","","0.056","0.0573","","","","","","1.0278","","","","has coordinates,has disorder","182684","2020-10-21","18:00:00",""
"7038600","36.032","0.007","9.2604","0.0019","18.688","0.004","90","","108.34","0.03","90","","5919","2","100","","100","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","CeCl3(dpa)2","","","- C27 H27 Ce Cl3 N5 S -","- C27 H27 Ce Cl3 N5 S -","- C216 H216 Ce8 Cl24 N40 S8 -","8","1","","Dannenbauer, N.; Matthes, P. R.; Müller-Buschbaum, K","Luminescent coordination polymers for the VIS and NIR range constituting LnCl3 and 1,2-bis(4-pyridyl)ethane.","Dalton transactions (Cambridge, England : 2003)","2016","45","15","6529","6540","10.1039/c6dt00152a","","","0.71073","MoKα","","0.032","0.0219","","","0.0474","0.0518","","","","","","1.0291","","","","has coordinates","182684","2020-10-21","18:00:00",""
"7038601","35.8284","0.0017","9.2397","0.0004","18.6155","0.0009","90","","108.312","0.001","90","","5850.5","0.5","100","","100","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","PrCl3(dpa)2","","","- C27 H27 Cl3 N5 Pr S -","- C27 H27 Cl3 N5 Pr S -","- C216 H216 Cl24 N40 Pr8 S8 -","8","1","","Dannenbauer, N.; Matthes, P. R.; Müller-Buschbaum, K","Luminescent coordination polymers for the VIS and NIR range constituting LnCl3 and 1,2-bis(4-pyridyl)ethane.","Dalton transactions (Cambridge, England : 2003)","2016","45","15","6529","6540","10.1039/c6dt00152a","","","0.71073","MoKα","","0.0456","0.0274","","","0.0578","0.0664","","","","","","1.0518","","","","has coordinates","182684","2020-10-21","18:00:00",""
"7038602","35.642","0.002","9.2416","0.0006","18.5076","0.0011","90","","109.058","0.001","90","","5762.1","0.6","100","","100","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C56 H51 Cl6 Dy2 N8 S2 -","- C56 H51 Cl6 Dy2 N8 S2 -","- C224 H204 Cl24 Dy8 N32 S8 -","4","0.5","","Dannenbauer, N.; Matthes, P. R.; Müller-Buschbaum, K","Luminescent coordination polymers for the VIS and NIR range constituting LnCl3 and 1,2-bis(4-pyridyl)ethane.","Dalton transactions (Cambridge, England : 2003)","2016","45","15","6529","6540","10.1039/c6dt00152a","","","0.71073","MoKα","","0.0584","0.0332","","","0.0648","0.075","","","","","","1.0303","","","","has coordinates,has disorder","182684","2020-10-21","18:00:00",""
"7038603","35.641","0.008","9.257","0.002","18.512","0.004","90","","109.781","0.007","90","","5747","2","100","","100","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C56 H55 Cl6 N8 S2 Yb2 -","- C56 H55 Cl6 N8 S2 Yb2 -","- C224 H220 Cl24 N32 S8 Yb8 -","4","0.5","","Dannenbauer, N.; Matthes, P. R.; Müller-Buschbaum, K","Luminescent coordination polymers for the VIS and NIR range constituting LnCl3 and 1,2-bis(4-pyridyl)ethane.","Dalton transactions (Cambridge, England : 2003)","2016","45","15","6529","6540","10.1039/c6dt00152a","","","0.71073","MoKα","","0.0583","0.0338","","","0.0686","0.0813","","","","","","1.0462","","","","has coordinates,has disorder","182684","2020-10-21","18:00:00",""
"7038604","13.6871","0.0003","13.6871","0.0003","25.6258","0.0006","90","","90","","90","","4800.65","0.19","123","","123","","","","","","","","see text","7","P 41 21 2","P 4abw 2nw","92","","","","- C32 H32 F24 Fe2 N16 O P4 -","- C32 H32 F24 Fe2 N16 O P4 -","- C128 H128 F96 Fe8 N64 O4 P16 -","4","0.5","","Anneser, Markus R.; Haslinger, Stefan; Pöthig, Alexander; Cokoja, Mirza; D'Elia, Valerio; Högerl, Manuel P; Basset, Jean-Marie; Kühn, Fritz E","Binding of molecular oxygen by an artificial heme analogue: investigation on the formation of an Fe-tetracarbene superoxo complex.","Dalton transactions (Cambridge, England : 2003)","2016","45","15","6449","6455","10.1039/c6dt00538a","","x-ray","0.71073","MoKα","","0.0427","0.0393","","","0.0952","0.0973","","","","","","1.088","","","","has coordinates,has disorder","211179","2020-10-21","18:00:00",""
"7038605","17.3664","0.0002","17.3664","0.0002","17.6625","0.0002","90","","90","","90","","5326.87","0.11","296","2","296","2","","","","","","","","5","I -4 2 d","I -4 2bw","122","","","","- C40 H74 O4 P4 Pt6 -","- C40 H74 O4 P4 Pt6 -","- C160 H296 O16 P16 Pt24 -","4","0.25","","Bonuccelli, Veronica; Funaioli, Tiziana; Leoni, Piero; Marchetti, Fabio; Marchetti, Lorella; Pasquali, Marco","Synthesis and characterization of non-bridging mono- and bis-σ-η(1)-alkynyl derivatives of the phosphido-bridged hexaplatinum core [Pt6(μ-PBu(t)2)4(CO)4](2.).","Dalton transactions (Cambridge, England : 2003)","2016","45","16","6878","6892","10.1039/c6dt00410e","","","0.71073","MoKα","","0.0241","0.0173","","","0.031","0.0323","","","","","","0.986","","","","has coordinates","182731","2020-10-21","18:00:00",""
"7038606","24.8698","0.0019","17.4794","0.0013","33.43","0.003","90","","100.507","0.001","90","","14289","2","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C62 H102 O4 P4 Pt6 -","- C62 H102 O4 P4 Pt6 -","- C496 H816 O32 P32 Pt48 -","8","1","","Bonuccelli, Veronica; Funaioli, Tiziana; Leoni, Piero; Marchetti, Fabio; Marchetti, Lorella; Pasquali, Marco","Synthesis and characterization of non-bridging mono- and bis-σ-η(1)-alkynyl derivatives of the phosphido-bridged hexaplatinum core [Pt6(μ-PBu(t)2)4(CO)4](2.).","Dalton transactions (Cambridge, England : 2003)","2016","45","16","6878","6892","10.1039/c6dt00410e","","","0.71073","MoKα","","0.0737","0.0378","","","0.0771","0.0897","","","","","","1.014","","","","has coordinates,has disorder","182731","2020-10-21","18:00:00",""
"7038607","12.523","0.0002","25.7041","0.0004","15.0564","0.0003","90","","112.867","0.001","90","","4465.65","0.14","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C37 H55 B20 Ir N2 O2 -","- C37 H55 B20 Ir N2 O2 -","- C148 H220 B80 Ir4 N8 O8 -","4","0.5","","Park, Jihyun; Lee, Young Hoon; Ryu, Ji Yeon; Lee, Junseong; Lee, Min Hyung","The substituent effect of 2-R-o-carborane on the photophysical properties of iridium(iii) cyclometalates.","Dalton transactions (Cambridge, England : 2003)","2016","45","13","5667","5675","10.1039/c6dt00065g","","","0.71073","MoKα","","0.0208","0.0177","","","0.0382","0.0394","","","","","","1.044","","","","has coordinates,has disorder","181634","2020-10-21","18:00:00",""
"7038608","23.771","0.005","13.231","0.003","14.707","0.003","90","","90","","90","","4625.6","1.7","100","2","100","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C39 H59 B20 Ir N2 O2 -","- C39 H59 B20 Ir N2 O2 -","- C156 H236 B80 Ir4 N8 O8 -","4","0.5","","Park, Jihyun; Lee, Young Hoon; Ryu, Ji Yeon; Lee, Junseong; Lee, Min Hyung","The substituent effect of 2-R-o-carborane on the photophysical properties of iridium(iii) cyclometalates.","Dalton transactions (Cambridge, England : 2003)","2016","45","13","5667","5675","10.1039/c6dt00065g","","","0.70002","synchrotron","","0.0454","0.0416","","","0.1231","0.1295","","","","","","1.04","","","","has coordinates","181634","2020-10-21","18:00:00",""
"7038609","26.5068","0.0005","13.0602","0.0003","15.2624","0.0003","90","","104.882","0.001","90","","5106.37","0.18","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C44 H53 B20 Cl2 Ir N2 O2 -","- C44 H53 B20 Cl2 Ir N2 O2 -","- C176 H212 B80 Cl8 Ir4 N8 O8 -","4","0.5","","Park, Jihyun; Lee, Young Hoon; Ryu, Ji Yeon; Lee, Junseong; Lee, Min Hyung","The substituent effect of 2-R-o-carborane on the photophysical properties of iridium(iii) cyclometalates.","Dalton transactions (Cambridge, England : 2003)","2016","45","13","5667","5675","10.1039/c6dt00065g","","","0.71073","MoKα","","0.0238","0.0199","","","0.0475","0.0487","","","","","","1.043","","","","has coordinates","181634","2020-10-21","18:00:00",""
"7038610","13.744","0.005","14.295","0.005","16.525","0.006","99.553","0.018","108.392","0.016","95.195","0.018","3002.5","1.9","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C51 H63 B20 F6 Ir N2 O2 -","- C51 H63 B20 F6 Ir N2 O2 -","- C102 H126 B40 F12 Ir2 N4 O4 -","2","1","","Park, Jihyun; Lee, Young Hoon; Ryu, Ji Yeon; Lee, Junseong; Lee, Min Hyung","The substituent effect of 2-R-o-carborane on the photophysical properties of iridium(iii) cyclometalates.","Dalton transactions (Cambridge, England : 2003)","2016","45","13","5667","5675","10.1039/c6dt00065g","","","0.71073","MoKα","","0.0837","0.0551","","","0.1278","0.1477","","","","","","1.03","","","","has coordinates","181634","2020-10-21","18:00:00",""
"7038611","11.0264","0.0005","12.8256","0.0007","18.9683","0.001","78.772","0.004","74.603","0.004","86.356","0.004","2536.5","0.2","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C43 H41 B20 F10 Ir N2 O2 -","- C43 H41 B20 F10 Ir N2 O2 -","- C86 H82 B40 F20 Ir2 N4 O4 -","2","1","","Park, Jihyun; Lee, Young Hoon; Ryu, Ji Yeon; Lee, Junseong; Lee, Min Hyung","The substituent effect of 2-R-o-carborane on the photophysical properties of iridium(iii) cyclometalates.","Dalton transactions (Cambridge, England : 2003)","2016","45","13","5667","5675","10.1039/c6dt00065g","","","0.71073","MoKα","","0.1415","0.0735","","","0.1619","0.199","","","","","","1.015","","","","has coordinates","181634","2020-10-21","18:00:00",""
"7038612","10.0034","0.0005","17.8518","0.0009","17.9626","0.0009","90","","90","","90","","3207.7","0.3","90","2","90","2","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C34 H48 B F4 N O P Rh -","- C34 H48 B F4 N O P Rh -","- C136 H192 B4 F16 N4 O4 P4 Rh4 -","4","1","","Serin, Spencer C.; Dake, Gregory R.; Gates, Derek P.","Phosphaalkene-oxazoline copolymers with styrene as chiral ligands for rhodium(i).","Dalton transactions (Cambridge, England : 2003)","2016","45","13","5659","5666","10.1039/c6dt00306k","","x-ray","0.71073","MoKα","","0.0309","0.0268","","","0.056","0.0578","","","","","","1.042","","","","has coordinates","181639","2020-10-21","18:00:00",""
"7038613","8.0671","0.0015","15.486","0.003","21.277","0.004","90","","100.059","0.004","90","","2617.2","0.9","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C24 H32 B F4 Mn N4 O4 -","- C24 H32 B F4 Mn N4 O4 -","- C96 H128 B4 F16 Mn4 N16 O16 -","4","1","","Wang, Shi; Xu, Wu-Tan; He, Wen-Rui; Takaishi, Shinya; Li, Yong-Hua; Yamashita, Masahiro; Huang, Wei","Structural insights into the counterion effects on the manganese(iii) spin crossover system with hexadentate Schiff-base ligands.","Dalton transactions (Cambridge, England : 2003)","2016","45","13","5676","5688","10.1039/c5dt04824a","","","0.71073","MoKα","","0.0635","0.051","","","0.1106","0.1176","","","","","","1.094","","","","has coordinates","181646","2020-10-21","18:00:00",""
"7038614","8.1403","0.0015","15.644","0.003","21.581","0.004","90","","99.709","0.004","90","","2708.9","0.9","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C24 H32 B F4 Mn N4 O4 -","- C24 H32 B F4 Mn N4 O4 -","- C96 H128 B4 F16 Mn4 N16 O16 -","4","1","","Wang, Shi; Xu, Wu-Tan; He, Wen-Rui; Takaishi, Shinya; Li, Yong-Hua; Yamashita, Masahiro; Huang, Wei","Structural insights into the counterion effects on the manganese(iii) spin crossover system with hexadentate Schiff-base ligands.","Dalton transactions (Cambridge, England : 2003)","2016","45","13","5676","5688","10.1039/c5dt04824a","","","0.71073","MoKα","","0.1029","0.0897","","","0.2083","0.2147","","","","","","1.237","","","","has coordinates","181646","2020-10-21","18:00:00",""
"7038615","20.502","0.003","8.2046","0.0014","16.843","0.003","90","","90","","90","","2833.2","0.8","100","2","100","2","","","","","","","","7","P c a 21","P 2c -2ac","29","","","","- C25 H32 F3 Mn N4 O7 S -","- C25 H32 F3 Mn N4 O7 S -","- C100 H128 F12 Mn4 N16 O28 S4 -","4","1","","Wang, Shi; Xu, Wu-Tan; He, Wen-Rui; Takaishi, Shinya; Li, Yong-Hua; Yamashita, Masahiro; Huang, Wei","Structural insights into the counterion effects on the manganese(iii) spin crossover system with hexadentate Schiff-base ligands.","Dalton transactions (Cambridge, England : 2003)","2016","45","13","5676","5688","10.1039/c5dt04824a","","","0.71073","MoKα","","0.0372","0.0359","","","0.0889","0.0903","","","","","","1.056","","","","has coordinates","181646","2020-10-21","18:00:00",""
"7038616","21.107","0.009","8.4","0.004","17.288","0.008","90","","90","","90","","3065","2","293","2","293","2","","","","","","","","7","P c a 21","P 2c -2ac","29","","","","- C25 H32 F3 Mn N4 O7 S -","- C25 H32 F3 Mn N4 O7 S -","- C100 H128 F12 Mn4 N16 O28 S4 -","4","1","","Wang, Shi; Xu, Wu-Tan; He, Wen-Rui; Takaishi, Shinya; Li, Yong-Hua; Yamashita, Masahiro; Huang, Wei","Structural insights into the counterion effects on the manganese(iii) spin crossover system with hexadentate Schiff-base ligands.","Dalton transactions (Cambridge, England : 2003)","2016","45","13","5676","5688","10.1039/c5dt04824a","","","0.71073","MoKα","","0.107","0.0909","","","0.2628","0.2935","","","","","","1.331","","","","has coordinates","181646","2020-10-21","18:00:00",""
"7038617","17.778","0.004","8.5035","0.0017","17.534","0.004","90","","96.61","0.03","90","","2633.1","1","100","2","100","2","","","","","","","","6","P 1 2/c 1","-P 2yc","13","","","","- C24 H32 Cl Mn N4 O8 -","- C24 H32 Cl Mn N4 O8 -","- C96 H128 Cl4 Mn4 N16 O32 -","4","1","","Wang, Shi; Xu, Wu-Tan; He, Wen-Rui; Takaishi, Shinya; Li, Yong-Hua; Yamashita, Masahiro; Huang, Wei","Structural insights into the counterion effects on the manganese(iii) spin crossover system with hexadentate Schiff-base ligands.","Dalton transactions (Cambridge, England : 2003)","2016","45","13","5676","5688","10.1039/c5dt04824a","","","0.71073","MoKα","","0.1171","0.0985","","","0.2071","0.2181","","","","","","1.126","","","","has coordinates","181646","2020-10-21","18:00:00",""
"7038618","17.925","0.004","8.5661","0.0017","17.723","0.004","90","","96.05","0.03","90","","2706.2","1","293","2","293","2","","","","","","","","6","P 1 2/c 1","-P 2yc","13","","","","- C24 H32 Cl Mn N4 O8 -","- C24 H32 Cl Mn N4 O8 -","- C96 H128 Cl4 Mn4 N16 O32 -","4","1","","Wang, Shi; Xu, Wu-Tan; He, Wen-Rui; Takaishi, Shinya; Li, Yong-Hua; Yamashita, Masahiro; Huang, Wei","Structural insights into the counterion effects on the manganese(iii) spin crossover system with hexadentate Schiff-base ligands.","Dalton transactions (Cambridge, England : 2003)","2016","45","13","5676","5688","10.1039/c5dt04824a","","","0.71073","MoKα","","0.1151","0.0798","","","0.2196","0.2544","","","","","","1.097","","","","has coordinates","181646","2020-10-21","18:00:00",""
"7038619","8.1183","0.0016","15.286","0.003","20.484","0.004","90","","100.528","0.004","90","","2499.2","0.8","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H32 Mn N5 O7 -","- C24 H32 Mn N5 O7 -","- C96 H128 Mn4 N20 O28 -","4","1","","Wang, Shi; Xu, Wu-Tan; He, Wen-Rui; Takaishi, Shinya; Li, Yong-Hua; Yamashita, Masahiro; Huang, Wei","Structural insights into the counterion effects on the manganese(iii) spin crossover system with hexadentate Schiff-base ligands.","Dalton transactions (Cambridge, England : 2003)","2016","45","13","5676","5688","10.1039/c5dt04824a","","","0.71073","MoKα","","0.0643","0.0615","","","0.1362","0.1382","","","","","","1.079","","","","has coordinates","181646","2020-10-21","18:00:00",""
"7038620","8.1744","0.0009","15.4164","0.0017","20.726","0.002","90","","100.763","0.002","90","","2565.9","0.5","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H32 Mn N5 O7 -","- C24 H32 Mn N5 O7 -","- C96 H128 Mn4 N20 O28 -","4","1","","Wang, Shi; Xu, Wu-Tan; He, Wen-Rui; Takaishi, Shinya; Li, Yong-Hua; Yamashita, Masahiro; Huang, Wei","Structural insights into the counterion effects on the manganese(iii) spin crossover system with hexadentate Schiff-base ligands.","Dalton transactions (Cambridge, England : 2003)","2016","45","13","5676","5688","10.1039/c5dt04824a","","","0.71073","MoKα","","0.0629","0.0598","","","0.1305","0.1318","","","","","","1.23","","","","has coordinates","181646","2020-10-21","18:00:00",""
"7038621","16.1884","0.0009","9.1325","0.0006","18.4471","0.0013","90","","108.626","0.002","90","","2584.4","0.3","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","11","","","- C34 H27 B O -","- C34 H27 B O -","- C136 H108 B4 O4 -","4","1","","Yruegas, Sam; Huang, Kexuan; Wilson, David J. D.; Dutton, Jason L.; Martin, Caleb D.","Probing the reactivity of pentaphenylborole with N-H, O-H, P-H, and S-H bonds.","Dalton transactions (Cambridge, England : 2003)","2016","45","24","9902","9911","10.1039/c6dt00052e","","","0.71073","MoKα","","0.0791","0.0529","","","0.1285","0.1502","","","","","","1.085","","","","has coordinates,has disorder","185373","2020-10-21","18:00:00",""
"7038622","47.986","0.0016","10.1805","0.0003","22.1076","0.0007","90","","91.302","0.002","90","","10797.2","0.6","150","2","150","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","12","","","- C92 H144 B2 O -","- C68 H52 B2 O -","- C544 H416 B16 O8 -","8","1","","Yruegas, Sam; Huang, Kexuan; Wilson, David J. D.; Dutton, Jason L.; Martin, Caleb D.","Probing the reactivity of pentaphenylborole with N-H, O-H, P-H, and S-H bonds.","Dalton transactions (Cambridge, England : 2003)","2016","45","24","9902","9911","10.1039/c6dt00052e","","","0.71073","MoKα","","0.0876","0.0624","","","0.1365","0.147","","","","","","1.047","","","","has coordinates","185373","2020-10-21","18:00:00",""
"7038623","8.5301","0.0006","9.7269","0.0007","19.5345","0.0015","87.469","0.002","86.921","0.002","82.647","0.002","1604","0.2","150","2","150","2","","","","","","","","4","P -1","-P 1","2","13","","","- C44 H33 B S -","- C44 H33 B S -","- C88 H66 B2 S2 -","2","1","","Yruegas, Sam; Huang, Kexuan; Wilson, David J. D.; Dutton, Jason L.; Martin, Caleb D.","Probing the reactivity of pentaphenylborole with N-H, O-H, P-H, and S-H bonds.","Dalton transactions (Cambridge, England : 2003)","2016","45","24","9902","9911","10.1039/c6dt00052e","","","0.71073","MoKα","","0.0923","0.0562","","","0.1334","0.1539","","","","","","1.055","","","","has coordinates","185373","2020-10-21","18:00:00",""
"7038624","10.1357","0.0006","12.1343","0.0007","14.8636","0.0009","70.232","0.0017","73.1203","0.0019","85.9647","0.0018","1645.44","0.17","148","2","148","2","","","","","","","","4","P -1","-P 1","2","14","","","- C47 H40 B N -","- C40 H32 B N -","- C80 H64 B2 N2 -","2","1","","Yruegas, Sam; Huang, Kexuan; Wilson, David J. D.; Dutton, Jason L.; Martin, Caleb D.","Probing the reactivity of pentaphenylborole with N-H, O-H, P-H, and S-H bonds.","Dalton transactions (Cambridge, England : 2003)","2016","45","24","9902","9911","10.1039/c6dt00052e","","","0.71073","MoKα","","0.0844","0.0488","","","0.1167","0.1279","","","","","","1.088","","","","has coordinates","185373","2020-10-21","18:00:00",""
"7038625","14.7877","0.0006","12.3571","0.0006","35.9892","0.0016","90","","95.394","0.003","90","","6547.3","0.5","150","2","150","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","15","","","- C60 H80 B P -","- C40 H32 B P -","- C320 H256 B8 P8 -","8","1","","Yruegas, Sam; Huang, Kexuan; Wilson, David J. D.; Dutton, Jason L.; Martin, Caleb D.","Probing the reactivity of pentaphenylborole with N-H, O-H, P-H, and S-H bonds.","Dalton transactions (Cambridge, England : 2003)","2016","45","24","9902","9911","10.1039/c6dt00052e","","","0.71073","MoKα","","0.0717","0.062","","","0.1297","0.1339","","","","","","1.124","","","","has coordinates","185373","2020-10-21","18:00:00",""
"7038626","9.1981","0.0004","11.3126","0.0005","27.9588","0.0013","90","","94.618","0.003","90","","2899.8","0.2","193","2","193","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C28 H35 Ag F6 P Sb -","- C28 H35 Ag F6 P Sb -","- C112 H140 Ag4 F24 P4 Sb4 -","4","1","","Grirrane, A.; Álvarez, E; Albero, J.; García, H; Corma, A.","Multinuclear silver(i) XPhos complexes with cyclooctatetraene: photochemical C-C bond cleavage of acetonitrile and cyanide bridged Ag cluster formation.","Dalton transactions (Cambridge, England : 2003)","2016","45","13","5444","5450","10.1039/c6dt00370b","","","0.71073","MoKα","","0.0529","0.0411","","","0.1086","0.1148","","","","","","1.105","","","","has coordinates","181627","2020-10-21","18:00:00",""
"7038627","21.7571","0.0019","10.1105","0.0009","26.215","0.002","90","","100.802","0.002","90","","5664.5","0.8","193","2","193","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C49 H64 Ag2 Cl2 F12 P2 Sb2 -","- C49 H64 Ag2 Cl2 F12 P2 Sb2 -","- C196 H256 Ag8 Cl8 F48 P8 Sb8 -","4","1","","Grirrane, A.; Álvarez, E; Albero, J.; García, H; Corma, A.","Multinuclear silver(i) XPhos complexes with cyclooctatetraene: photochemical C-C bond cleavage of acetonitrile and cyanide bridged Ag cluster formation.","Dalton transactions (Cambridge, England : 2003)","2016","45","13","5444","5450","10.1039/c6dt00370b","","","0.71073","MoKα","","0.0346","0.033","","","0.0777","0.0784","","","","","","1.147","","","","has coordinates,has disorder","181627","2020-10-21","18:00:00",""
"7038628","24.389","0.004","15.102","0.003","32.963","0.006","90","","90","","90","","12141","4","193","2","193","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C50 H66 Ag2 Cl4 F12 P2 Sb2 -","- C50 H66 Ag2 Cl4 F12 P2 Sb2 -","- C400 H528 Ag16 Cl32 F96 P16 Sb16 -","8","1","","Grirrane, A.; Álvarez, E; Albero, J.; García, H; Corma, A.","Multinuclear silver(i) XPhos complexes with cyclooctatetraene: photochemical C-C bond cleavage of acetonitrile and cyanide bridged Ag cluster formation.","Dalton transactions (Cambridge, England : 2003)","2016","45","13","5444","5450","10.1039/c6dt00370b","","","0.71073","MoKα","","0.117","0.0738","","","0.221","0.2574","","","","","","1.102","","","","has coordinates,has disorder","181627","2020-10-21","18:00:00",""
"7038629","7.6971","0.0013","22.12","0.003","14.649","0.002","90","","103.508","0.004","90","","2425.1","0.6","193","2","193","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C20 H29 Ag F6 O P Sb -","- C20 H29 Ag F6 O P Sb -","- C80 H116 Ag4 F24 O4 P4 Sb4 -","4","1","","Grirrane, A.; Álvarez, E; Albero, J.; García, H; Corma, A.","Multinuclear silver(i) XPhos complexes with cyclooctatetraene: photochemical C-C bond cleavage of acetonitrile and cyanide bridged Ag cluster formation.","Dalton transactions (Cambridge, England : 2003)","2016","45","13","5444","5450","10.1039/c6dt00370b","","","0.71073","MoKα","","0.0532","0.048","","","0.1388","0.1435","","","","","","1.013","","","","has coordinates","181627","2020-10-21","18:00:00",""
"7038630","10.1433","0.0016","12.7099","0.0019","14.23","0.002","115.462","0.004","96.643","0.005","104.762","0.004","1547.5","0.4","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C42 H70 Cl4 Cu6 N8 O33 -","- C42 H68 Cl4 Cu6 N8 O33 -","- C42 H68 Cl4 Cu6 N8 O33 -","1","0.5","","Chattopadhyay, Krishna; Shaw, Bikash Kumar; Saha, Shyamal Kumar; Ray, Debashis","Unique trapping of paddlewheel copper(ii) carboxylate by ligand-bound {Cu2} fragments for [Cu6] assembly.","Dalton transactions (Cambridge, England : 2003)","2016","45","16","6928","6938","10.1039/c6dt00103c","","","0.71073","MoKα","","0.0627","0.0464","","","0.1123","0.1213","","","","","","1.077","","","","has coordinates,has disorder","182715","2020-10-21","18:00:00",""
"7038631","22.6038","0.0009","12.1267","0.0005","26.1807","0.0011","90","","99.424","0.001","90","","7079.5","0.5","295","","295","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C46 H80 Cl4 Cu6 N8 O34 -","- C46 H76 Cl4 Cu6 N8 O34 -","- C184 H304 Cl16 Cu24 N32 O136 -","4","0.5","","Chattopadhyay, Krishna; Shaw, Bikash Kumar; Saha, Shyamal Kumar; Ray, Debashis","Unique trapping of paddlewheel copper(ii) carboxylate by ligand-bound {Cu2} fragments for [Cu6] assembly.","Dalton transactions (Cambridge, England : 2003)","2016","45","16","6928","6938","10.1039/c6dt00103c","","","0.71073","MoKα","","0.1104","0.0587","","","0.139","0.1731","","","","","","1.02","","","","has coordinates,has disorder","182715","2020-10-21","18:00:00",""
"7038632","30.454","0.006","13.005","0.003","24.876","0.005","90","","114.482","0.006","90","","8966","3","295","","295","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C66 H88 Cl4 Cu6 N8 O34 -","- C66 H84 Cl4 Cu6 N8 O34 -","- C264 H336 Cl16 Cu24 N32 O136 -","4","0.5","","Chattopadhyay, Krishna; Shaw, Bikash Kumar; Saha, Shyamal Kumar; Ray, Debashis","Unique trapping of paddlewheel copper(ii) carboxylate by ligand-bound {Cu2} fragments for [Cu6] assembly.","Dalton transactions (Cambridge, England : 2003)","2016","45","16","6928","6938","10.1039/c6dt00103c","","","0.71073","MoKα","","0.1201","0.08","","","0.212","0.2579","","","","","","1.101","","","","has coordinates,has disorder","182715","2020-10-21","18:00:00",""
"7038633","29.8884","0.0003","29.8884","0.0003","29.8884","0.0003","90","","90","","90","","26699.8","0.5","100","","100","","","","","","","","","5","F m -3 m","-F 4 2 3","225","","","","- C199.5 H305.5 N34.5 O66.5 Zr6 -","- C96 H64 O32 Zr6 -","- C384 H256 O128 Zr24 -","4","0.0208333","","Marshall, Ross J.; Richards, Tom; Hobday, Claire L.; Murphie, Colin F.; Wilson, Claire; Moggach, Stephen A.; Bennett, Thomas D.; Forgan, Ross S.","Postsynthetic bromination of UiO-66 analogues: altering linker flexibility and mechanical compliance.","Dalton transactions (Cambridge, England : 2003)","2016","45","10","4132","4135","10.1039/c5dt03178h","","x-ray","1.5418","CuKα","","0.0902","0.0761","","0.0963","0.0871","0.0871","","","","","","1.0719","","","","has coordinates","177114","2020-10-21","18:00:00",""
"7038634","4.7414","0.0004","6.045","0.0006","25.976","0.002","90","","94.197","0.004","90","","742.52","0.11","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C18 H18 O4 -","- C18 H18 O4 -","- C36 H36 O8 -","2","0.5","","Marshall, Ross J.; Richards, Tom; Hobday, Claire L.; Murphie, Colin F.; Wilson, Claire; Moggach, Stephen A.; Bennett, Thomas D.; Forgan, Ross S.","Postsynthetic bromination of UiO-66 analogues: altering linker flexibility and mechanical compliance.","Dalton transactions (Cambridge, England : 2003)","2016","45","10","4132","4135","10.1039/c5dt03178h","","","0.71073","MoKα","","0.067","0.0593","","","0.1544","0.1597","","","","","","1.15","","","","has coordinates","177114","2020-10-21","18:00:00",""
"7038635","29.7685","0.0008","29.7685","0.0008","29.7685","0.0008","90","","90","","90","","26379.8","1.2","100","","100","","","","","","","","","5","F m -3 m","-F 4 2 3","225","","","","- C96 H64 Br12 O32 Zr6 -","- C96 H48 Br12 O32 Zr6 -","- C384 H192 Br48 O128 Zr24 -","4","0.0208333","","Marshall, Ross J.; Richards, Tom; Hobday, Claire L.; Murphie, Colin F.; Wilson, Claire; Moggach, Stephen A.; Bennett, Thomas D.; Forgan, Ross S.","Postsynthetic bromination of UiO-66 analogues: altering linker flexibility and mechanical compliance.","Dalton transactions (Cambridge, England : 2003)","2016","45","10","4132","4135","10.1039/c5dt03178h","","","0.71075","MoKα","","0.0903","0.0843","","","0.2562","0.2677","","","","","","1.061","","","","has coordinates,has disorder","177114","2020-10-21","18:00:00",""
"7038636","35.255","0.003","35.255","0.003","49.064","0.004","90","","90","","90","","60982","9","100","2","100","2","","","","","","","","6","I 41/a c d :2","-I 4bd 2c","142","","","","- Ca14 H7.75 N36 Na20 O248 U24 -","- Ca14 N36 Na20 O248 U24 -","- Ca112 N288 Na160 O1984 U192 -","8","0.25","","Biswas, Saptarshi; Steudtner, Robin; Schmidt, Moritz; McKenna, Cora; León Vintró, Luis; Twamley, Brendan; Baker, Robert J.","An investigation of the interactions of Eu(3+) and Am(3+) with uranyl minerals: implications for the storage of spent nuclear fuel.","Dalton transactions (Cambridge, England : 2003)","2016","45","15","6383","6393","10.1039/c6dt00199h","","","0.71073","MoKα","","0.0713","0.0492","","","0.1108","0.1211","","","","","","1.084","","","","has coordinates","290444","2024-03-12","09:55:30",""
"7038637","9.7556","0.0011","16.9397","0.0019","21.12","0.003","106.175","0.002","103.058","0.001","93.195","0.001","3239","0.7","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C64 H52 Hf N4 P4 -","- C64 H52 Hf N4 P4 -","- C128 H104 Hf2 N8 P8 -","2","1","","Dunn, Peter L.; Carlson, Rebecca K.; Gagliardi, Laura; Tonks, Ian A.","Structure and bonding of group 4-nickel heterobimetallics supported by 2-(diphenylphosphino)pyrrolide ligands.","Dalton transactions (Cambridge, England : 2003)","2016","45","24","9892","9901","10.1039/c6dt00431h","","","0.71073","MoKα","","0.0472","0.0384","","","0.0914","0.0947","","","","","","1.033","","","","has coordinates","185386","2020-10-21","18:00:00",""
"7038638","12.773","0.002","14.5023","0.0016","14.5023","0.0016","93.11","","92.318","0.001","92.318","0.001","2677.8","0.6","123","2","123","2","","","","","","","","6","P -1","-P 1","2","14238","","","- C64 H52 N4 Ni P4 Ti -","- C64 H52 N4 Ni P4 Ti -","- C128 H104 N8 Ni2 P8 Ti2 -","2","1","","Dunn, Peter L.; Carlson, Rebecca K.; Gagliardi, Laura; Tonks, Ian A.","Structure and bonding of group 4-nickel heterobimetallics supported by 2-(diphenylphosphino)pyrrolide ligands.","Dalton transactions (Cambridge, England : 2003)","2016","45","24","9892","9901","10.1039/c6dt00431h","","","1.54178","CuKα","","0.0419","0.0383","","","0.0948","0.097","","","","","","1.108","","","","has coordinates","185386","2020-10-21","18:00:00",""
"7038639","11.2579","0.0005","23.688","0.0009","22.6877","0.0009","90","","102.778","0.001","90","","5900.5","0.4","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","15091","","","- C70 H58 N4 Ni P4 Zr -","- C70 H58 N4 Ni P4 Zr -","- C280 H232 N16 Ni4 P16 Zr4 -","4","1","","Dunn, Peter L.; Carlson, Rebecca K.; Gagliardi, Laura; Tonks, Ian A.","Structure and bonding of group 4-nickel heterobimetallics supported by 2-(diphenylphosphino)pyrrolide ligands.","Dalton transactions (Cambridge, England : 2003)","2016","45","24","9892","9901","10.1039/c6dt00431h","","","1.54178","CuKα","","0.0309","0.0275","","","0.0679","0.0703","","","","","","1.02","","","","has coordinates","185386","2020-10-21","18:00:00",""
"7038640","11.2134","0.0003","23.6739","0.0005","22.8293","0.0005","90","","103.826","0.001","90","","5884.8","0.2","123","2","123","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","15137","","","- C70 H58 Hf N4 Ni P4 -","- C70 H58 Hf N4 Ni P4 -","- C280 H232 Hf4 N16 Ni4 P16 -","4","1","","Dunn, Peter L.; Carlson, Rebecca K.; Gagliardi, Laura; Tonks, Ian A.","Structure and bonding of group 4-nickel heterobimetallics supported by 2-(diphenylphosphino)pyrrolide ligands.","Dalton transactions (Cambridge, England : 2003)","2016","45","24","9892","9901","10.1039/c6dt00431h","","","1.54178","CuKα","","0.0488","0.0377","","","0.0891","0.0955","","","","","","1.039","","","","has coordinates","185386","2020-10-21","18:00:00",""
"7038641","14.5006","0.0003","14.7943","0.0003","16.1167","0.0003","98.34","0.001","107.47","0.001","94.6","0.001","3234.93","0.11","123","2","123","2","","","","","","","","8","P -1","-P 1","2","","","","- C68 H60 N4 Na Ni O P4 Ti -","- C68 H60 N4 Na Ni O1.269 P4 Ti -","- C136 H120 N8 Na2 Ni2 O2.538 P8 Ti2 -","2","1","","Dunn, Peter L.; Carlson, Rebecca K.; Gagliardi, Laura; Tonks, Ian A.","Structure and bonding of group 4-nickel heterobimetallics supported by 2-(diphenylphosphino)pyrrolide ligands.","Dalton transactions (Cambridge, England : 2003)","2016","45","24","9892","9901","10.1039/c6dt00431h","","","1.54178","CuKα","","0.0563","0.0447","","","0.1042","0.1102","","","","","","1.034","","","","has coordinates,has disorder","185386","2020-10-21","18:00:00",""
"7038642","11.6014","0.0016","12.1966","0.0016","21.545","0.003","75.265","0.006","76.711","0.006","67.796","0.006","2699.1","0.6","123","2","123","2","","","","","","","","7","P -1","-P 1","2","","","","- C65 H52 N4 Ni O P4 Ti -","- C65 H52 N4 Ni O P4 Ti -","- C130 H104 N8 Ni2 O2 P8 Ti2 -","2","1","","Dunn, Peter L.; Carlson, Rebecca K.; Gagliardi, Laura; Tonks, Ian A.","Structure and bonding of group 4-nickel heterobimetallics supported by 2-(diphenylphosphino)pyrrolide ligands.","Dalton transactions (Cambridge, England : 2003)","2016","45","24","9892","9901","10.1039/c6dt00431h","","","1.54178","CuKα","","0.1081","0.0627","","","0.1131","0.122","","","","","","1.053","","","","has coordinates","185386","2020-10-21","18:00:00",""
"7038643","20.6085","0.0009","22.0874","0.0009","22.0874","0.0009","90","","90","","90","","10053.9","0.7","123","2","123","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C120 H102 N6 Ni2 O P6 Ti2 -","- C120 H102 N6 Ni2 O P6 Ti2 -","- C480 H408 N24 Ni8 O4 P24 Ti8 -","4","0.5","","Dunn, Peter L.; Carlson, Rebecca K.; Gagliardi, Laura; Tonks, Ian A.","Structure and bonding of group 4-nickel heterobimetallics supported by 2-(diphenylphosphino)pyrrolide ligands.","Dalton transactions (Cambridge, England : 2003)","2016","45","24","9892","9901","10.1039/c6dt00431h","","","1.54178","CuKα","","0.0597","0.0523","","","0.1384","0.1462","","","","","","1.037","","","","has coordinates,has disorder","185386","2020-10-21","18:00:00",""
"7038644","13.8745","0.0008","19.1737","0.0011","22.0448","0.0013","90","","105.37","0.001","90","","5654.7","0.6","296","2","296.15","","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C24 H48 B0 K N3 O38 Re4 W5 -","- C24 H36 K N3 O38 Re4 W5 -","- C96 H144 K4 N12 O152 Re16 W20 -","4","1","","Li, Jie; Guo, Jipeng; Jia, Jiage; Ma, Pengtao; Zhang, Dongdi; Wang, Jingping; Niu, Jingyang","Isopentatungstate-supported metal carbonyl derivative: synthesis, characterization, and catalytic properties for alkene epoxidation.","Dalton transactions (Cambridge, England : 2003)","2016","45","15","6726","6731","10.1039/c6dt00352d","","","0.71073","MoKα","","0.0441","0.0324","","","0.069","0.074","","","","","","1.015","","","","has coordinates","182703","2020-10-21","18:00:00",""
"7038645","10.9399","0.0004","10.9399","0.0004","9.614","0.0003","90","","90","","90","","1150.62","0.07","298","2","298","2","","","","","","","","5","P 4/m m m","-P 4 2","123","[Zn2(BDC)2(DABCO)]","","","- C22 H20 N2 O8 Zn2 -","- C22 H32 N2 O8 Zn2 -","- C22 H32 N2 O8 Zn2 -","1","0.0625","","Kim, Yonghwi; Haldar, Ritesh; Kim, Hyunuk; Koo, Jaehyoung; Kim, Kimoon","The guest-dependent thermal response of the flexible MOF Zn2(BDC)2(DABCO).","Dalton transactions (Cambridge, England : 2003)","2016","45","10","4187","4192","10.1039/c5dt03710g","","","0.71073","MoKα","","0.0304","0.0278","","","0.0609","0.0621","","","","","","1.04","","","","has coordinates","177118","2020-10-21","18:00:00",""
"7038646","10.9449","0.0003","10.9449","0.0003","9.609","0.0003","90","","90","","90","","1151.07","0.06","250","2","250","2","","","","","","","","5","P 4/m m m","-P 4 2","123","[Zn2(BDC)2(DABCO)]","","","- C22 H20 N2 O8 Zn2 -","- C22 H32 N2 O8 Zn2 -","- C22 H32 N2 O8 Zn2 -","1","0.0625","","Kim, Yonghwi; Haldar, Ritesh; Kim, Hyunuk; Koo, Jaehyoung; Kim, Kimoon","The guest-dependent thermal response of the flexible MOF Zn2(BDC)2(DABCO).","Dalton transactions (Cambridge, England : 2003)","2016","45","10","4187","4192","10.1039/c5dt03710g","","","0.71073","MoKα","","0.0348","0.0305","","","0.0632","0.0657","","","","","","1.066","","","","has coordinates","177118","2020-10-21","18:00:00",""
"7038647","10.9504","0.0003","10.9504","0.0003","9.6032","0.0003","90","","90","","90","","1151.53","0.06","200","2","200","2","","","","","","","","5","P 4/m m m","-P 4 2","123","[Zn2(BDC)2(DABCO)]","","","- C22 H20 N2 O8 Zn2 -","- C22 H32 N2 O8 Zn2 -","- C22 H32 N2 O8 Zn2 -","1","0.0625","","Kim, Yonghwi; Haldar, Ritesh; Kim, Hyunuk; Koo, Jaehyoung; Kim, Kimoon","The guest-dependent thermal response of the flexible MOF Zn2(BDC)2(DABCO).","Dalton transactions (Cambridge, England : 2003)","2016","45","10","4187","4192","10.1039/c5dt03710g","","","0.71073","MoKα","","0.0328","0.0286","","","0.0626","0.0648","","","","","","1.072","","","","has coordinates","177118","2020-10-21","18:00:00",""
"7038648","10.9554","0.0003","10.9554","0.0003","9.5967","0.0003","90","","90","","90","","1151.8","0.06","150","2","150","2","","","","","","","","5","P 4/m m m","-P 4 2","123","[Zn2(BDC)2(DABCO)]","","","- C22 H20 N2 O8 Zn2 -","- C22 H32 N2 O8 Zn2 -","- C22 H32 N2 O8 Zn2 -","1","0.0625","","Kim, Yonghwi; Haldar, Ritesh; Kim, Hyunuk; Koo, Jaehyoung; Kim, Kimoon","The guest-dependent thermal response of the flexible MOF Zn2(BDC)2(DABCO).","Dalton transactions (Cambridge, England : 2003)","2016","45","10","4187","4192","10.1039/c5dt03710g","","","0.71073","MoKα","","0.0257","0.0236","","","0.0556","0.0568","","","","","","1.081","","","","has coordinates","177118","2020-10-21","18:00:00",""
"7038649","15.4893","0.0005","15.4893","0.0005","9.5826","0.0003","90","","90","","90","","2299.04","0.13","100","2","100","2","","","","","","","","5","P 4/n b m","-P 4a 2b","125","[Zn2(BDC)2(DABCO)]","","","- C22 H20 N2 O8 Zn2 -","- C22 H20 N2 O8 Zn2 -","- C44 H40 N4 O16 Zn4 -","2","","","Kim, Yonghwi; Haldar, Ritesh; Kim, Hyunuk; Koo, Jaehyoung; Kim, Kimoon","The guest-dependent thermal response of the flexible MOF Zn2(BDC)2(DABCO).","Dalton transactions (Cambridge, England : 2003)","2016","45","10","4187","4192","10.1039/c5dt03710g","","","0.71073","MoKα","","0.0351","0.0242","","","0.056","0.0633","","","","","","1.074","","","","has coordinates","177118","2020-10-21","18:00:00",""
"7038650","15.0624","0.0012","15.0624","0.0012","19.2541","0.0017","90","","90","","90","","4368.3","0.6","298","2","298","2","","","","","","","","5","I 4/m c m","-I 4 2c","140","[Zn2(BDC)2(DABCO)],4DMF","","","- C34 H48 N6 O12 Zn2 -","- C34 H42 N6 O12 Zn2 -","- C136 H168 N24 O48 Zn8 -","4","0.125","","Kim, Yonghwi; Haldar, Ritesh; Kim, Hyunuk; Koo, Jaehyoung; Kim, Kimoon","The guest-dependent thermal response of the flexible MOF Zn2(BDC)2(DABCO).","Dalton transactions (Cambridge, England : 2003)","2016","45","10","4187","4192","10.1039/c5dt03710g","","","0.71073","MoKα","","0.0626","0.0396","","","0.1093","0.134","","","","","","1.042","","","","has coordinates","177118","2020-10-21","18:00:00",""
"7038651","15.0294","0.0005","15.0294","0.0005","19.2362","0.0008","90","","90","","90","","4345.1","0.3","250","2","250","2","","","","","","","","5","I 4/m c m","-I 4 2c","140","[Zn2(BDC)2(DABCO)],4DMF","","","- C34 H48 N6 O12 Zn2 -","- C34 H42 N6 O12 Zn2 -","- C136 H168 N24 O48 Zn8 -","4","0.125","","Kim, Yonghwi; Haldar, Ritesh; Kim, Hyunuk; Koo, Jaehyoung; Kim, Kimoon","The guest-dependent thermal response of the flexible MOF Zn2(BDC)2(DABCO).","Dalton transactions (Cambridge, England : 2003)","2016","45","10","4187","4192","10.1039/c5dt03710g","","","0.71073","MoKα","","0.0616","0.0403","","","0.1127","0.1356","","","","","","1.032","","","","has coordinates","177118","2020-10-21","18:00:00",""
"7038652","14.9756","0.0005","14.9756","0.0005","19.2026","0.0008","90","","90","","90","","4306.5","0.3","200","2","200","2","","","","","","","","5","P 4/n c c","-P 4a 2ac","130","[Zn2(BDC)2(DABCO)],4DMF","","","- C34 H48 N6 O12 Zn2 -","- C34 H48 N6 O12 Zn2 -","- C136 H192 N24 O48 Zn8 -","4","","","Kim, Yonghwi; Haldar, Ritesh; Kim, Hyunuk; Koo, Jaehyoung; Kim, Kimoon","The guest-dependent thermal response of the flexible MOF Zn2(BDC)2(DABCO).","Dalton transactions (Cambridge, England : 2003)","2016","45","10","4187","4192","10.1039/c5dt03710g","","","0.71073","MoKα","","0.0905","0.0481","","","0.1238","0.1462","","","","","","1.047","","","","has coordinates","177118","2020-10-21","18:00:00",""
"7038653","14.9367","0.0005","14.9367","0.0005","19.1785","0.0007","90","","90","","90","","4278.8","0.3","150","2","150","2","","","","","","","","5","P 4/n c c","-P 4a 2ac","130","[Zn2(BDC)2(DABCO)],4DMF","","","- C34 H48 N6 O12 Zn2 -","- C34 H48 N6 O12 Zn2 -","- C136 H192 N24 O48 Zn8 -","4","","","Kim, Yonghwi; Haldar, Ritesh; Kim, Hyunuk; Koo, Jaehyoung; Kim, Kimoon","The guest-dependent thermal response of the flexible MOF Zn2(BDC)2(DABCO).","Dalton transactions (Cambridge, England : 2003)","2016","45","10","4187","4192","10.1039/c5dt03710g","","","0.71073","MoKα","","0.0847","0.0488","","","0.127","0.1464","","","","","","1.09","","","","has coordinates","177118","2020-10-21","18:00:00",""
"7038654","14.892","0.0004","14.892","0.0004","19.1557","0.0006","90","","90","","90","","4248.2","0.2","100","2","100","2","","","","","","","","5","P 4/n c c","-P 4a 2ac","130","[Zn2(BDC)2(DABCO)],4DMF","","","- C34 H48 N6 O12 Zn2 -","- C34 H48 N6 O12 Zn2 -","- C136 H192 N24 O48 Zn8 -","4","","","Kim, Yonghwi; Haldar, Ritesh; Kim, Hyunuk; Koo, Jaehyoung; Kim, Kimoon","The guest-dependent thermal response of the flexible MOF Zn2(BDC)2(DABCO).","Dalton transactions (Cambridge, England : 2003)","2016","45","10","4187","4192","10.1039/c5dt03710g","","","0.71073","MoKα","","0.0768","0.0567","","","0.1563","0.1687","","","","","","1.1","","","","has coordinates","177118","2020-10-21","18:00:00",""
"7038655","14.346","0.007","16.509","0.004","9.714","0.003","90","","90","","90","","2300.6","1.4","298","2","298","2","","","","","","","","5","C m m m","-C 2 2","65","[Zn2(BDC)2(DABCO)],3Benzene","","","- C40 H38 N2 O8 Zn2 -","- C40 H38 N2 O8 Zn2 -","- C80 H76 N4 O16 Zn4 -","2","0.125","","Kim, Yonghwi; Haldar, Ritesh; Kim, Hyunuk; Koo, Jaehyoung; Kim, Kimoon","The guest-dependent thermal response of the flexible MOF Zn2(BDC)2(DABCO).","Dalton transactions (Cambridge, England : 2003)","2016","45","10","4187","4192","10.1039/c5dt03710g","","","0.71073","MoKα","","0.0767","0.064","","","0.2021","0.2349","","","","","","1.141","","","","has coordinates","177118","2020-10-21","18:00:00",""
"7038656","13.966","0.002","16.692","0.003","9.6406","0.0012","90","","90","","90","","2247.4","0.6","250","2","250","2","","","","","","","","5","C m m m","-C 2 2","65","[Zn2(BDC)2(DABCO)],3Benzene","","","- C40 H38 N2 O8 Zn2 -","- C40 H38 N2 O8 Zn2 -","- C80 H76 N4 O16 Zn4 -","2","0.125","","Kim, Yonghwi; Haldar, Ritesh; Kim, Hyunuk; Koo, Jaehyoung; Kim, Kimoon","The guest-dependent thermal response of the flexible MOF Zn2(BDC)2(DABCO).","Dalton transactions (Cambridge, England : 2003)","2016","45","10","4187","4192","10.1039/c5dt03710g","","","0.71073","MoKα","","0.0481","0.0463","","","0.147","0.1493","","","","","","1.231","","","","has coordinates","177118","2020-10-21","18:00:00",""
"7038657","13.5779","0.0009","16.9882","0.0011","9.6192","0.0006","90","","90","","90","","2218.8","0.2","200","2","200","2","","","","","","","","5","C m m m","-C 2 2","65","[Zn2(BDC)2(DABCO)],3Benzene","","","- C40 H38 N2 O8 Zn2 -","- C40 H38 N2 O8 Zn2 -","- C80 H76 N4 O16 Zn4 -","2","0.125","","Kim, Yonghwi; Haldar, Ritesh; Kim, Hyunuk; Koo, Jaehyoung; Kim, Kimoon","The guest-dependent thermal response of the flexible MOF Zn2(BDC)2(DABCO).","Dalton transactions (Cambridge, England : 2003)","2016","45","10","4187","4192","10.1039/c5dt03710g","","","0.71073","MoKα","","0.0546","0.0508","","","0.1548","0.1583","","","","","","1.156","","","","has coordinates","177118","2020-10-21","18:00:00",""
"7038658","13.5015","0.0008","17.0533","0.001","9.6093","0.0005","90","","90","","90","","2212.5","0.2","150","2","150","2","","","","","","","","5","C m m m","-C 2 2","65","[Zn2(BDC)2(DABCO)],3Benzene","","","- C40 H38 N2 O8 Zn2 -","- C40 H38 N2 O8 Zn2 -","- C80 H76 N4 O16 Zn4 -","2","0.125","","Kim, Yonghwi; Haldar, Ritesh; Kim, Hyunuk; Koo, Jaehyoung; Kim, Kimoon","The guest-dependent thermal response of the flexible MOF Zn2(BDC)2(DABCO).","Dalton transactions (Cambridge, England : 2003)","2016","45","10","4187","4192","10.1039/c5dt03710g","","","0.71073","MoKα","","0.0586","0.0545","","","0.1611","0.1652","","","","","","1.126","","","","has coordinates","177118","2020-10-21","18:00:00",""
"7038659","13.4307","0.0009","17.0964","0.001","9.5948","0.0006","90","","90","","90","","2203.1","0.2","100","2","100","2","","","","","","","","5","C m m m","-C 2 2","65","[Zn2(BDC)2(DABCO)],3Benzene","","","- C40 H38 N2 O8 Zn2 -","- C40 H38 N2 O8 Zn2 -","- C80 H76 N4 O16 Zn4 -","2","0.125","","Kim, Yonghwi; Haldar, Ritesh; Kim, Hyunuk; Koo, Jaehyoung; Kim, Kimoon","The guest-dependent thermal response of the flexible MOF Zn2(BDC)2(DABCO).","Dalton transactions (Cambridge, England : 2003)","2016","45","10","4187","4192","10.1039/c5dt03710g","","","0.71073","MoKα","","0.0645","0.0623","","","0.1766","0.1786","","","","","","1.122","","","","has coordinates","177118","2020-10-21","18:00:00",""
"7038660","10.3579","0.0002","8.72054","0.00014","36.8998","0.0007","90","","90","","90","","3333.03","0.1","183","1","183","1","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C17 H16 F3 Fe N3 O -","- C17 H16 F3 Fe N3 O -","- C136 H128 F24 Fe8 N24 O8 -","8","1","","Rubbiani, R.; Blacque, O.; Gasser, G.","Sedaxicenes: potential new antifungal ferrocene-based agents?","Dalton transactions (Cambridge, England : 2003)","2016","45","15","6619","6626","10.1039/c5dt04231c","","","0.71073","MoKα","","0.0453","0.038","","","0.0885","0.0929","","","","","","1.086","","","","has coordinates","182704","2020-10-21","18:00:00",""
"7038661","10.6241","0.0002","15.1983","0.0004","29.6784","0.0007","90","","90.352","0.002","90","","4792.03","0.19","183","1","183","1","","","","","","","","7","I 1 2/a 1","-I 2ya","15","","","","- C23 H19 Cl3 F3 Fe N3 O -","- C22 H18 F3 Fe N3 O -","- C176 H144 F24 Fe8 N24 O8 -","8","1","","Rubbiani, R.; Blacque, O.; Gasser, G.","Sedaxicenes: potential new antifungal ferrocene-based agents?","Dalton transactions (Cambridge, England : 2003)","2016","45","15","6619","6626","10.1039/c5dt04231c","","","1.54184","CuKα","","0.0444","0.037","","","0.0947","0.0992","","","","","","1.031","","","","has coordinates","182704","2020-10-21","18:00:00",""
"7038662","9.4458","0.0003","10.352","0.0004","11.047","0.0004","96.727","0.003","102.651","0.003","100.958","0.003","1020.45","0.07","183","1","183","1","","","","","","","","6","P -1","-P 1","2","","","","- C23 H20 F3 Fe N3 O2 -","- C23 H20 F3 Fe N3 O2 -","- C46 H40 F6 Fe2 N6 O4 -","2","1","","Rubbiani, R.; Blacque, O.; Gasser, G.","Sedaxicenes: potential new antifungal ferrocene-based agents?","Dalton transactions (Cambridge, England : 2003)","2016","45","15","6619","6626","10.1039/c5dt04231c","","x-ray","0.71073","MoKα","","0.0411","0.0344","","","0.0892","0.0941","","","","","","1.047","","","","has coordinates","182704","2020-10-21","18:00:00",""
"7038663","13.6166","0.0003","12.5766","0.0003","16.6119","0.0004","90","","112.119","0.001","90","","2635.43","0.11","147","2","147","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C32 H33 N4 O2 -","- C32 H33 N4 O2 -","- C128 H132 N16 O8 -","4","1","","Bonanno, N. M.; Lough, A. J.; Prosser, K. E.; Walsby, C. J.; Poddutoori, P. K.; Lemaire, M. T.","A stable open-shell redox active ditopic ligand.","Dalton transactions (Cambridge, England : 2003)","2016","45","13","5460","5463","10.1039/c5dt04061b","","","1.54178","CuKα","","0.0678","0.0517","","","0.135","0.149","","","","","","1.029","","","","has coordinates,has disorder","181630","2020-10-21","18:00:00",""
"7038664","21.827","0.0002","12.71458","0.00013","20.5184","0.00019","90","","93.3517","0.0008","90","","5684.55","0.09","100","0.2","100","0.2","","","","","","","","8","C 1 c 1","C -2yc","9","","","","- C42 H89 Ce Cl I N3 O7 P6 -","- C42 H89 Ce Cl I N3 O7 P6 -","- C168 H356 Ce4 Cl4 I4 N12 O28 P24 -","4","1","","Au-Yeung, Ka-Chun; So, Yat-Ming; Wang, Guo-Cang; Sung, Herman H.-Y.; Williams, Ian D.; Leung, Wa-Hung","Iodosylbenzene and iodylbenzene adducts of cerium(iv) complexes bearing chelating oxygen ligands.","Dalton transactions (Cambridge, England : 2003)","2016","45","13","5434","5438","10.1039/c6dt00267f","","x-ray","1.5418","CuKα","","0.022","0.0218","","","0.0543","0.0544","","","","","","1.001","","","","has coordinates","181635","2020-10-21","18:00:00",""
"7038665","12.0266","0.0004","12.5297","0.0004","21.8315","0.0006","90","","90.136","0.002","90","","3289.77","0.18","99.9","0.6","99.9","0.6","","","","","","","","8","P 1 n 1","P -2yac","7","","","","- C46 H80.4 Ce Cl2 Co2 I2 O22.2 P6 -","- C46 H40 Ce Cl2 Co2 I2 O22.2 P6 -","- C92 H80 Ce2 Cl4 Co4 I4 O44.4 P12 -","2","1","","Au-Yeung, Ka-Chun; So, Yat-Ming; Wang, Guo-Cang; Sung, Herman H.-Y.; Williams, Ian D.; Leung, Wa-Hung","Iodosylbenzene and iodylbenzene adducts of cerium(iv) complexes bearing chelating oxygen ligands.","Dalton transactions (Cambridge, England : 2003)","2016","45","13","5434","5438","10.1039/c6dt00267f","","x-ray","0.71073","MoKα","","0.0469","0.0372","","","0.0583","0.0612","","","","","","1.002","","","","has coordinates,has disorder","181635","2020-10-21","18:00:00",""
"7038666","24.8983","0.0005","12.6591","0.0002","44.0778","0.0011","90","","104.574","0.002","90","","13445.9","0.5","99.9","0.5","99.9","0.5","","","","","","","","8","P 1 2/c 1","-P 2yc","13","","","","- C47 H82 Ce Cl4 Co2 I2 O20 P6 -","- C47 H82 Ce Cl4 Co2 I2 O20 P6 -","- C376 H656 Ce8 Cl32 Co16 I16 O160 P48 -","8","2","","Au-Yeung, Ka-Chun; So, Yat-Ming; Wang, Guo-Cang; Sung, Herman H.-Y.; Williams, Ian D.; Leung, Wa-Hung","Iodosylbenzene and iodylbenzene adducts of cerium(iv) complexes bearing chelating oxygen ligands.","Dalton transactions (Cambridge, England : 2003)","2016","45","13","5434","5438","10.1039/c6dt00267f","","x-ray","0.71073","MoKα","","0.1086","0.0582","","","0.1058","0.1259","","","","","","1.003","","","","has coordinates,has disorder","181635","2020-10-21","18:00:00",""
"7038667","15.214","0.0005","10.4426","0.0003","17.3308","0.0005","90","","103.941","0.003","90","","2672.31","0.14","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C46.7 H77.3 Al2 N3.3 O4.7 Si4 -","- C46.682 H77.318 Al2 N3.318 O4.682 Si4 -","- C93.364 H154.636 Al4 N6.636 O9.364 Si8 -","2","0.5","","Wang, Xiaoping; Li, Jiancheng; Chen, Shimin; Liu, Weiping; Ye, Qingsong; Zhu, Hongping","Aryl(silyl)amino group stabilized hydridosilanediols: synthesis and characterization and use for preparation of alumino(hydrido)siloxanes.","Dalton transactions (Cambridge, England : 2003)","2016","45","15","6709","6717","10.1039/c6dt00059b","","","1.54178","CuKα","","0.042","0.0364","","","0.099","0.104","","","","","","1.044","","","","has coordinates,has disorder","182694","2020-10-21","18:00:00",""
"7038668","10.4955","0.0007","12.9201","0.0011","16.0791","0.0011","109.295","0.007","106.762","0.006","97.856","0.006","1904.4","0.3","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C17 H25 N O2 Si2 -","- C17 H25 N O2 Si2 -","- C68 H100 N4 O8 Si8 -","4","2","","Wang, Xiaoping; Li, Jiancheng; Chen, Shimin; Liu, Weiping; Ye, Qingsong; Zhu, Hongping","Aryl(silyl)amino group stabilized hydridosilanediols: synthesis and characterization and use for preparation of alumino(hydrido)siloxanes.","Dalton transactions (Cambridge, England : 2003)","2016","45","15","6709","6717","10.1039/c6dt00059b","","","0.71073","MoKα","","0.0716","0.0512","","","0.112","0.1214","","","","","","1.024","","","","has coordinates,has disorder","182694","2020-10-21","18:00:00",""
"7038669","10.0975","0.0009","10.2652","0.0007","14.3031","0.001","73.704","0.006","70.848","0.007","63.167","0.008","1234.16","0.19","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C40 H76 Al2 N2 O6 Si4 -","- C40 H76 Al2 N2 O6 Si4 -","- C40 H76 Al2 N2 O6 Si4 -","1","0.5","","Wang, Xiaoping; Li, Jiancheng; Chen, Shimin; Liu, Weiping; Ye, Qingsong; Zhu, Hongping","Aryl(silyl)amino group stabilized hydridosilanediols: synthesis and characterization and use for preparation of alumino(hydrido)siloxanes.","Dalton transactions (Cambridge, England : 2003)","2016","45","15","6709","6717","10.1039/c6dt00059b","","","1.54178","CuKα","","0.0439","0.0373","","","0.0948","0.1008","","","","","","1.045","","","","has coordinates","182694","2020-10-21","18:00:00",""
"7038670","27.6137","0.0017","9.458","0.0007","23.5911","0.0017","90","","98.582","0.007","90","","6092.3","0.7","173","2","173","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C56 H92 Al2 N2 O6 Si4 -","- C56 H92 Al2 N2 O6 Si4 -","- C224 H368 Al8 N8 O24 Si16 -","4","1","","Wang, Xiaoping; Li, Jiancheng; Chen, Shimin; Liu, Weiping; Ye, Qingsong; Zhu, Hongping","Aryl(silyl)amino group stabilized hydridosilanediols: synthesis and characterization and use for preparation of alumino(hydrido)siloxanes.","Dalton transactions (Cambridge, England : 2003)","2016","45","15","6709","6717","10.1039/c6dt00059b","","","0.71073","MoKα","","0.1296","0.0873","","","0.1988","0.2265","","","","","","1.022","","","","has coordinates","182694","2020-10-21","18:00:00",""
"7038671","12.628","0.0009","25.7705","0.0017","23.4218","0.0012","90","","101.117","0.006","90","","7479.1","0.8","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C68 H103 Al2 N3 O8 Si6 -","- C68 H103 Al2 N3 O8 Si6 -","- C272 H412 Al8 N12 O32 Si24 -","4","1","","Wang, Xiaoping; Li, Jiancheng; Chen, Shimin; Liu, Weiping; Ye, Qingsong; Zhu, Hongping","Aryl(silyl)amino group stabilized hydridosilanediols: synthesis and characterization and use for preparation of alumino(hydrido)siloxanes.","Dalton transactions (Cambridge, England : 2003)","2016","45","15","6709","6717","10.1039/c6dt00059b","","","0.71073","MoKα","","0.1164","0.0879","","","0.2013","0.218","","","","","","1.044","","","","has coordinates,has disorder","182694","2020-10-21","18:00:00",""
"7038672","15.514","0.008","16.468","0.008","16.153","0.008","90","","98.977","0.008","90","","4076","4","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C40 H45 Eu N2 O7 S2 -","- C40 H45 Eu N2 O7 S2 -","- C160 H180 Eu4 N8 O28 S8 -","4","1","","Mei, Jin-Feng; Lv, Zhong-Peng; Lai, Jian-Cheng; Jia, Xiao-Yong; Li, Cheng-Hui; Zuo, Jing-Lin; You, Xiao-Zeng","A novel photo-responsive europium(iii) complex for advanced anti-counterfeiting and encryption.","Dalton transactions (Cambridge, England : 2003)","2016","45","13","5451","5454","10.1039/c6dt00346j","","","0.71073","MoKα","","0.147","0.0842","","","0.2355","0.265","","","","","","1.023","","","","has coordinates","181644","2020-10-21","18:00:00",""
"7038673","9.064","0.003","14.446","0.005","26.473","0.004","90","","97.273","0.014","90","","3438.4","1.7","200","2","200","2","","","","","","","synthesis as described","7","C 1 2/c 1","-C 2yc","15","","","","- C24 H32 Cl4 K2 Ni O5 S4 -","- C24 H32 Cl4 K2 Ni O5 S4 -","- C96 H128 Cl16 K8 Ni4 O20 S16 -","4","0.5","","Delgado, Esther; Gómez-García, Carlos J; Hernández, Diego; Hernández, Elisa; Martín, Avelino; Zamora, Félix","Unprecedented layered coordination polymers of dithiolene group 10 metals: magnetic and electrical properties.","Dalton transactions (Cambridge, England : 2003)","2016","45","15","6696","6701","10.1039/c6dt00464d","","x-ray","0.71073","MoKα","","0.124","0.0806","","","0.2123","0.2278","","","","","","1.081","","","","has coordinates","182700","2020-10-21","18:00:00",""
"7038674","9.064","0.003","14.446","0.005","26.473","0.004","90","","97.273","0.014","90","","3438.4","1.7","200","2","200","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C24 H32 Cl4 K2 O5 Pd S4 -","- C24 H32 Cl4 K2 O5 Pd S4 -","- C96 H128 Cl16 K8 O20 Pd4 S16 -","4","0.5","","Delgado, Esther; Gómez-García, Carlos J; Hernández, Diego; Hernández, Elisa; Martín, Avelino; Zamora, Félix","Unprecedented layered coordination polymers of dithiolene group 10 metals: magnetic and electrical properties.","Dalton transactions (Cambridge, England : 2003)","2016","45","15","6696","6701","10.1039/c6dt00464d","","x-ray","0.71073","MoKα","","0.1728","0.0952","","","0.2412","0.2691","","","","","","1.045","","","","has coordinates","182700","2020-10-21","18:00:00",""
"7038675","13.933","0.005","9.234","0.003","18.4983","0.0007","90","","99.239","0.015","90","","2349.1","1.1","200","2","200","2","","","","","","","synthesis as described","7","P 1 21/c 1","-P 2ybc","14","","","","- C36 H56 Cl4 K2 O8 Pt S4 -","- C36 H56 Cl4 K2 O8 Pt S4 -","- C72 H112 Cl8 K4 O16 Pt2 S8 -","2","0.5","","Delgado, Esther; Gómez-García, Carlos J; Hernández, Diego; Hernández, Elisa; Martín, Avelino; Zamora, Félix","Unprecedented layered coordination polymers of dithiolene group 10 metals: magnetic and electrical properties.","Dalton transactions (Cambridge, England : 2003)","2016","45","15","6696","6701","10.1039/c6dt00464d","","x-ray","0.71073","MoKα","","0.0825","0.0416","","","0.0851","0.0972","","","","","","0.948","","","","has coordinates","182700","2020-10-21","18:00:00",""
"7038676","8.2056","0.0007","12.7042","0.0011","14.4749","0.0008","82.782","0.005","74.848","0.005","76.633","0.007","1413.6","0.2","200","2","200","2","","","","","","","","7","P -1","-P 1","2","","","","- C20 H22 Cl4 K2 O3 Pt S4 -","- C20 H22 Cl4 K2 O3 Pt S4 -","- C40 H44 Cl8 K4 O6 Pt2 S8 -","2","1","","Delgado, Esther; Gómez-García, Carlos J; Hernández, Diego; Hernández, Elisa; Martín, Avelino; Zamora, Félix","Unprecedented layered coordination polymers of dithiolene group 10 metals: magnetic and electrical properties.","Dalton transactions (Cambridge, England : 2003)","2016","45","15","6696","6701","10.1039/c6dt00464d","","x-ray","0.71073","MoKα","","0.099","0.0639","","","0.1441","0.1585","","","","","","1.228","","","","has coordinates","182700","2020-10-21","18:00:00",""
"7038677","59.812","0.017","15.628","0.005","23.955","0.007","90","","106.042","0.004","90","","21520","11","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C105 H136 N7 Y3 -","- C105 H136 N7 Y3 -","- C840 H1088 N56 Y24 -","8","1","","Hong, Jianquan; Li, Zhenhua; Chen, Zhening; Weng, Linhong; Zhou, Xigeng; Zhang, Lixin","Small molecule activation by mixed methyl/methylidene rare earth metal complexes.","Dalton transactions (Cambridge, England : 2003)","2016","45","15","6641","6649","10.1039/c6dt00314a","","","0.71073","MoKα","","0.1311","0.0568","","","0.1055","0.1143","","","","","","0.993","","","","has coordinates","182701","2020-10-21","18:00:00",""
"7038678","18.25","0.006","18.607","0.007","22.153","0.008","78.152","0.006","79.357","0.005","62","0.005","6467","4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C109 H145 N6 Si Y3 -","- C109 H145 N6 Si Y3 -","- C218 H290 N12 Si2 Y6 -","2","1","","Hong, Jianquan; Li, Zhenhua; Chen, Zhening; Weng, Linhong; Zhou, Xigeng; Zhang, Lixin","Small molecule activation by mixed methyl/methylidene rare earth metal complexes.","Dalton transactions (Cambridge, England : 2003)","2016","45","15","6641","6649","10.1039/c6dt00314a","","","0.71073","MoKα","","0.1492","0.0658","","","0.142","0.1509","","","","","","1.005","","","","has coordinates","182701","2020-10-21","18:00:00",""
"7038679","52.952","0.019","15.75","0.006","28.184","0.01","90","","120.002","0.005","90","","20356","13","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C98 H116 Lu3 N6 S2 -","- C98 H116 Lu3 N6 S2 -","- C784 H928 Lu24 N48 S16 -","8","1","","Hong, Jianquan; Li, Zhenhua; Chen, Zhening; Weng, Linhong; Zhou, Xigeng; Zhang, Lixin","Small molecule activation by mixed methyl/methylidene rare earth metal complexes.","Dalton transactions (Cambridge, England : 2003)","2016","45","15","6641","6649","10.1039/c6dt00314a","","","0.71073","MoKα","","0.1035","0.0517","","","0.1081","0.1187","","","","","","0.864","","","","has coordinates,has disorder","182701","2020-10-21","18:00:00",""
"7038680","18.234","0.006","18.459","0.006","22.201","0.007","78.852","0.004","81.612","0.005","60.927","0.004","6396","4","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C106 H137 Lu3 N6 -","- C106 H137 Lu3 N6 -","- C212 H274 Lu6 N12 -","2","1","","Hong, Jianquan; Li, Zhenhua; Chen, Zhening; Weng, Linhong; Zhou, Xigeng; Zhang, Lixin","Small molecule activation by mixed methyl/methylidene rare earth metal complexes.","Dalton transactions (Cambridge, England : 2003)","2016","45","15","6641","6649","10.1039/c6dt00314a","","","0.71073","MoKα","","0.0871","0.0538","","","0.1351","0.149","","","","","","0.991","","","","has coordinates","182701","2020-10-21","18:00:00",""
"7038681","17.8983","0.0019","18.311","0.002","22.046","0.003","77.147","0.002","75.721","0.002","61.442","0.002","6103.6","1.3","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C112 H133 Er3 N6 -","- C112 H133 Er3 N6 -","- C224 H266 Er6 N12 -","2","1","","Hong, Jianquan; Li, Zhenhua; Chen, Zhening; Weng, Linhong; Zhou, Xigeng; Zhang, Lixin","Small molecule activation by mixed methyl/methylidene rare earth metal complexes.","Dalton transactions (Cambridge, England : 2003)","2016","45","15","6641","6649","10.1039/c6dt00314a","","","0.71073","MoKα","","0.0877","0.0566","","","0.1529","0.1758","","","","","","1.002","","","","has coordinates","182701","2020-10-21","18:00:00",""
"7038682","7.513","0.002","32.062","0.008","8.785","0.002","90","","111.229","0.003","90","","1972.5","0.8","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C18 H19 Cl3 Cu N4 O -","- C18 H19 Cl3 Cu N4 O -","- C72 H76 Cl12 Cu4 N16 O4 -","4","1","","Wang, Junfei; Li, Chao; Zhou, Qianxiong; Wang, Weibo; Hou, Yuanjun; Zhang, Baowen; Wang, Xuesong","Photocatalytic hydrogen evolution by Cu(ii) complexes.","Dalton transactions (Cambridge, England : 2003)","2016","45","13","5439","5443","10.1039/c5dt04628a","","","0.71073","MoKα","","0.0741","0.0554","","","0.1382","0.1517","","","","","","1","","","","has coordinates","276348","2022-06-28","16:30:49",""
"7038683","4.7813","0.0005","6.6169","0.0007","11.691","0.0012","75.795","0.008","86.893","0.008","88.052","0.008","357.95","0.07","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","(E)-1,2-bis(5-chloro-4-(trifluoromethyl)pyridin-2-yl)diazene","","- C12 H4 Cl2 F6 N4 -","- C12 H4 Cl2 F6 N4 -","- C12 H4 Cl2 F6 N4 -","1","0.5","","Kottelat, E.; Ruggi, A.; Zobi, F.","Red-light activated photoCORMs of Mn(i) species bearing electron deficient 2,2'-azopyridines.","Dalton transactions (Cambridge, England : 2003)","2016","45","16","6920","6927","10.1039/c6dt00858e","","x-ray","0.71073","MoKα","","0.0397","0.0348","","","0.0784","0.0812","","","","","","1.042","","","","has coordinates","182712","2020-10-21","18:00:00",""
"7038684","4.6634","0.0004","11.6504","0.0012","13.1188","0.0014","113.797","0.008","93.861","0.008","100.985","0.008","631.9","0.12","200","2","200","2","","","","","","","","4","P -1","-P 1","2","","(E)-1,2-bis(4-(trifluoromethyl)pyridin-2-yl)diazene","","- C12 H6 F6 N4 -","- C12 H6 F6 N4 -","- C24 H12 F12 N8 -","2","1","","Kottelat, E.; Ruggi, A.; Zobi, F.","Red-light activated photoCORMs of Mn(i) species bearing electron deficient 2,2'-azopyridines.","Dalton transactions (Cambridge, England : 2003)","2016","45","16","6920","6927","10.1039/c6dt00858e","","x-ray","0.71073","MoKα","","0.1351","0.0463","","","0.0864","0.1029","","","","","","0.779","","","","has coordinates","182712","2020-10-21","18:00:00",""
"7038685","12.0263","0.0009","7.763","0.0004","19.2201","0.0015","90","","105.517","0.006","90","","1729","0.2","200","2","200","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","dimanganese tetraazopyridine tetrabromide","","- C30 H24 Br4 Mn2 N12 -","- C30 H24 Br4 Mn2 N12 -","- C60 H48 Br8 Mn4 N24 -","2","0.5","","Kottelat, E.; Ruggi, A.; Zobi, F.","Red-light activated photoCORMs of Mn(i) species bearing electron deficient 2,2'-azopyridines.","Dalton transactions (Cambridge, England : 2003)","2016","45","16","6920","6927","10.1039/c6dt00858e","","x-ray","0.71073","MoKα","","0.138","0.0743","","","0.1732","0.1982","","","","","","0.876","","","","has coordinates","182712","2020-10-21","18:00:00",""
"7038686","7.0251","0.0004","8.8782","0.0005","12.4114","0.0007","87.09","0.005","80.778","0.005","69.965","0.004","717.85","0.07","200","2","200","2","","","","","","","","6","P -1","-P 1","2","","Manganese triscarbonyl azopyridine bromide","","- C13 H8 Br Mn N4 O3 -","- C13 H8 Br Mn N4 O3 -","- C26 H16 Br2 Mn2 N8 O6 -","2","1","","Kottelat, E.; Ruggi, A.; Zobi, F.","Red-light activated photoCORMs of Mn(i) species bearing electron deficient 2,2'-azopyridines.","Dalton transactions (Cambridge, England : 2003)","2016","45","16","6920","6927","10.1039/c6dt00858e","","x-ray","0.71073","MoKα","","0.0307","0.0275","","","0.0701","0.0716","","","","","","1.046","","","","has coordinates","182712","2020-10-21","18:00:00",""
"7038687","3.9747","0.0003","9.2426","0.0011","14.931","0.0014","90","","95.821","0.007","90","","545.69","0.09","300","2","300","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","(E)-1,2-bis(4-bromopyridin-2-yl)diazene","","- C10 H6 Br2 N4 -","- C10 H6 Br2 N4 -","- C20 H12 Br4 N8 -","2","0.5","","Kottelat, E.; Ruggi, A.; Zobi, F.","Red-light activated photoCORMs of Mn(i) species bearing electron deficient 2,2'-azopyridines.","Dalton transactions (Cambridge, England : 2003)","2016","45","16","6920","6927","10.1039/c6dt00858e","","x-ray","0.71073","MoKα","","0.0401","0.0322","","","0.0708","0.0732","","","","","","1.118","","","","has coordinates","182712","2020-10-21","18:00:00",""
"7038688","43.225","0.009","18.13","0.004","44.879","0.009","90","","101.13","0.03","90","","34509","13","293","2","107","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C286 H308 Cl4 Cu20 N20 O58 -","- C286 H308 Cl4 Cu20 N20 O58 -","- C1144 H1232 Cl16 Cu80 N80 O232 -","4","0.5","","Xu, Mei-Yu; Wang, Ya-Ting; Ni, Qing-Ling; Zhang, Zi-Hao; Wang, Xiu-Jian; Liang, Guang-Ming; Gui, Liu-Cheng","Aggregation of the metallocycles {Cu8} and {Cu20} using [Cu(bp)] units (H2bp = bis(2-hydroxybenzyl)amine): structures and magnetic properties.","Dalton transactions (Cambridge, England : 2003)","2016","45","12","4993","4997","10.1039/c6dt00174b","","","0.75","Synchrotron","","0.1044","0.0779","","","0.2267","0.2546","","","","","","1.05","","","","has coordinates","181659","2020-10-21","18:00:00",""
"7038689","26.0104","0.0006","26.0104","0.0006","14.1858","0.0008","90","","90","","90","","9597.3","0.6","293","2","293","2","","","","","","","","6","P 41 21 2","P 4abw 2nw","92","","","","- C56 H64 Cl4 Cu8 N4 O32 -","- C56 H64 Cl4 Cu8 N4 O32 -","- C224 H256 Cl16 Cu32 N16 O128 -","4","0.5","","Xu, Mei-Yu; Wang, Ya-Ting; Ni, Qing-Ling; Zhang, Zi-Hao; Wang, Xiu-Jian; Liang, Guang-Ming; Gui, Liu-Cheng","Aggregation of the metallocycles {Cu8} and {Cu20} using [Cu(bp)] units (H2bp = bis(2-hydroxybenzyl)amine): structures and magnetic properties.","Dalton transactions (Cambridge, England : 2003)","2016","45","12","4993","4997","10.1039/c6dt00174b","","","0.71073","MoKα","","0.1893","0.0997","","","0.2679","0.3207","","","","","","0.971","","","","has coordinates","181659","2020-10-21","18:00:00",""
"7038690","19.4556","0.0003","19.8765","0.0002","33.6182","0.0005","90","","90","","90","","13000.5","0.3","183","2","183","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C19 H48 F6 P5 Re Si -","- C19 H48 F6 P5 Re Si -","- C304 H768 F96 P80 Re16 Si16 -","16","4","","Li, Yan; Blacque, Olivier; Fox, Thomas; Luber, Sandra; Polit, Walther; Winter, Rainer F.; Venkatesan, Koushik; Berke, Heinz","Electronic communication in phosphine substituted bridged dirhenium complexes - clarifying ambiguities raised by the redox non-innocence of the C4H2- and C4-bridges.","Dalton transactions (Cambridge, England : 2003)","2016","45","13","5783","5799","10.1039/c5dt04768d","","","0.71073","MoKα","","0.0615","0.0414","","","0.084","0.0872","","","","","","0.942","","","","has coordinates,has disorder","181636","2020-10-21","18:00:00",""
"7038691","10.1955","0.0002","10.4458","0.0001","15.8038","0.0003","90.942","0.001","108.673","0.001","91.938","0.001","1592.94","0.05","183","2","183","2","","","","","","","","6","P -1","-P 1","2","","","","- C38 H94 F12 P10 Re2 Si2 -","- C38 H94 F12 P10 Re2 Si2 -","- C38 H94 F12 P10 Re2 Si2 -","1","0.5","","Li, Yan; Blacque, Olivier; Fox, Thomas; Luber, Sandra; Polit, Walther; Winter, Rainer F.; Venkatesan, Koushik; Berke, Heinz","Electronic communication in phosphine substituted bridged dirhenium complexes - clarifying ambiguities raised by the redox non-innocence of the C4H2- and C4-bridges.","Dalton transactions (Cambridge, England : 2003)","2016","45","13","5783","5799","10.1039/c5dt04768d","","","0.71073","MoKα","","0.0257","0.0215","","","0.0497","0.0503","","","","","","0.973","","","","has coordinates","181636","2020-10-21","18:00:00",""
"7038692","15.5085","0.0011","9.9898","0.0004","18.9014","0.0008","90","","93.969","0.005","90","","2921.3","0.3","183","2","183","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C38 H92 P8 Re2 Si2 -","- C38 H92 P8 Re2 Si2 -","- C76 H184 P16 Re4 Si4 -","2","0.5","","Li, Yan; Blacque, Olivier; Fox, Thomas; Luber, Sandra; Polit, Walther; Winter, Rainer F.; Venkatesan, Koushik; Berke, Heinz","Electronic communication in phosphine substituted bridged dirhenium complexes - clarifying ambiguities raised by the redox non-innocence of the C4H2- and C4-bridges.","Dalton transactions (Cambridge, England : 2003)","2016","45","13","5783","5799","10.1039/c5dt04768d","","","0.71073","MoKα","","0.0375","0.028","","","0.06","0.0623","","","","","","1.018","","","","has coordinates","181636","2020-10-21","18:00:00",""
"7038693","10.0523","0.0001","21.424","0.0002","30.5215","0.0003","90","","92.588","0.001","90","","6566.42","0.11","183","2","183","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C80 H192 F12 O P18 Re4 Si4 -","- C80 H192 F12 O P18 Re4 Si4 -","- C160 H384 F24 O2 P36 Re8 Si8 -","2","0.5","","Li, Yan; Blacque, Olivier; Fox, Thomas; Luber, Sandra; Polit, Walther; Winter, Rainer F.; Venkatesan, Koushik; Berke, Heinz","Electronic communication in phosphine substituted bridged dirhenium complexes - clarifying ambiguities raised by the redox non-innocence of the C4H2- and C4-bridges.","Dalton transactions (Cambridge, England : 2003)","2016","45","13","5783","5799","10.1039/c5dt04768d","","","0.71073","MoKα","","0.0649","0.0379","","","0.1145","0.1241","","","","","","0.879","","","","has coordinates","181636","2020-10-21","18:00:00",""
"7038694","16.0272","0.0004","15.8081","0.0003","14.4694","0.0003","90","","90","","90","","3665.96","0.14","183","2","183","2","","","","","","","","7","P n n m","-P 2 2n","58","","","","- C40 H96 Cl4 F12 P10 Re2 Si2 -","- C40 H98 Cl4 F12 P10 Re2 Si2 -","- C80 H196 Cl8 F24 P20 Re4 Si4 -","2","0.25","","Li, Yan; Blacque, Olivier; Fox, Thomas; Luber, Sandra; Polit, Walther; Winter, Rainer F.; Venkatesan, Koushik; Berke, Heinz","Electronic communication in phosphine substituted bridged dirhenium complexes - clarifying ambiguities raised by the redox non-innocence of the C4H2- and C4-bridges.","Dalton transactions (Cambridge, England : 2003)","2016","45","13","5783","5799","10.1039/c5dt04768d","","","0.71073","MoKα","","0.0501","0.0308","","","0.0674","0.0704","","","","","","0.969","","","","has coordinates","181636","2020-10-21","18:00:00",""
"7038695","16.2406","0.0002","15.7552","0.0002","14.4581","0.0002","90","","90","","90","","3699.45","0.08","183","2","183","2","","","","","","","","7","P n n m","-P 2 2n","58","","","","- C40 H94 Cl4 F12 P10 Re2 Si2 -","- C40 H96 Cl4 F12 P10 Re2 Si2 -","- C80 H192 Cl8 F24 P20 Re4 Si4 -","2","0.25","","Li, Yan; Blacque, Olivier; Fox, Thomas; Luber, Sandra; Polit, Walther; Winter, Rainer F.; Venkatesan, Koushik; Berke, Heinz","Electronic communication in phosphine substituted bridged dirhenium complexes - clarifying ambiguities raised by the redox non-innocence of the C4H2- and C4-bridges.","Dalton transactions (Cambridge, England : 2003)","2016","45","13","5783","5799","10.1039/c5dt04768d","","","0.71073","MoKα","","0.0383","0.0257","","","0.0657","0.0676","","","","","","0.981","","","","has coordinates","181636","2020-10-21","18:00:00",""
"7038696","11.6723","0.0016","13.9091","0.0016","15.8713","0.0019","103.271","0.007","99.123","0.008","91.663","0.009","2470.4","0.5","296","2","296","2","","","","","","","","7","P -1","-P 1","2","compound 6","compound 6","","- C51 H66 Al B F2 N4 O4 -","- C51 H66 Al B F2 N4 O4 -","- C102 H132 Al2 B2 F4 N8 O8 -","2","1","","Sohn, Changho; Jeong, Jisu; Lee, Ji Hye; Choi, Byung Hoon; Hwang, Hyonseok; Bae, Gyun-Tack; Lee, Kang Mun; Park, Myung Hwan","Novel aluminum-BODIPY dyads: intriguing dual-emission via photoinduced energy transfer.","Dalton transactions (Cambridge, England : 2003)","2016","45","13","5825","5832","10.1039/c5dt05067g","","","0.71073","MoKα","","0.1147","0.0532","","","0.1248","0.1634","","","","","","1.024","","","","has coordinates","181642","2020-10-21","18:00:00",""
"7038697","12.038","0.002","14.15","0.003","16.086","0.003","102.959","0.014","99.494","0.014","92.294","0.014","2625.2","0.9","296","2","296","2","","","","","","","","7","P -1","-P 1","2","compound 7","compound 7","","- C51 H64 Al B F4 N4 O4 -","- C51 H64 Al B F4 N4 O4 -","- C102 H128 Al2 B2 F8 N8 O8 -","2","1","","Sohn, Changho; Jeong, Jisu; Lee, Ji Hye; Choi, Byung Hoon; Hwang, Hyonseok; Bae, Gyun-Tack; Lee, Kang Mun; Park, Myung Hwan","Novel aluminum-BODIPY dyads: intriguing dual-emission via photoinduced energy transfer.","Dalton transactions (Cambridge, England : 2003)","2016","45","13","5825","5832","10.1039/c5dt05067g","","","0.71073","MoKα","","0.085","0.0537","","","0.1379","0.1615","","","","","","1.063","","","","has coordinates,has disorder","181642","2020-10-21","18:00:00",""
"7038698","10.378","0.002","11.375","0.002","14.101","0.003","84.83","0.03","71.22","0.03","86.52","0.03","1568.7","0.6","293","2","293","2","","","","","","","","7","P -1","-P 1","2","compound 8","compound 8","","- C35 H26 Al B F2 N4 O3 -","- C35 H26 Al B F2 N4 O3 -","- C70 H52 Al2 B2 F4 N8 O6 -","2","1","","Sohn, Changho; Jeong, Jisu; Lee, Ji Hye; Choi, Byung Hoon; Hwang, Hyonseok; Bae, Gyun-Tack; Lee, Kang Mun; Park, Myung Hwan","Novel aluminum-BODIPY dyads: intriguing dual-emission via photoinduced energy transfer.","Dalton transactions (Cambridge, England : 2003)","2016","45","13","5825","5832","10.1039/c5dt05067g","","","0.71073","MoKα","","0.0738","0.0706","","","0.228","0.234","","","","","","1.031","","","","has coordinates","181642","2020-10-21","18:00:00",""
"7038699","10.653","0.0006","10.9963","0.0006","16.6384","0.0009","78.1853","0.0006","78.1059","0.0006","83.7548","0.0006","1862.31","0.18","93","2","93","2","","","","","","","","4","P -1","-P 1","2","1-Lu(A)","[(C5Me5)2Lu]2(μ-η2:η2-N2)","","- C40 H60 Lu2 N2 -","- C40 H60 Lu2 N2 -","- C80 H120 Lu4 N4 -","2","1","","Fieser, Megan E.; Woen, David H.; Corbey, Jordan F.; Mueller, Thomas J.; Ziller, Joseph W.; Evans, William J.","Raman spectroscopy of the N-N bond in rare earth dinitrogen complexes.","Dalton transactions (Cambridge, England : 2003)","2016","45","37","14634","14644","10.1039/c5dt04547a","","","0.71073","MoKα","","0.0274","0.0232","","","0.0558","0.0572","","","","","","1.039","","","","has coordinates,has disorder","187134","2020-10-21","18:00:00",""
"7038700","14.4028","0.0016","14.4028","0.0016","19.526","0.002","90","","90","","90","","4050.5","0.8","143","2","143","2","","","","","","","","4","P -4 21 c","P -4 2n","114","1-Lu(B)","[(C5Me5)2Lu]2(μ-η2:η2-N2)","","- C40 H60 Lu2 N2 -","- C40 H60 Lu2 N2 -","- C160 H240 Lu8 N8 -","4","0.5","","Fieser, Megan E.; Woen, David H.; Corbey, Jordan F.; Mueller, Thomas J.; Ziller, Joseph W.; Evans, William J.","Raman spectroscopy of the N-N bond in rare earth dinitrogen complexes.","Dalton transactions (Cambridge, England : 2003)","2016","45","37","14634","14644","10.1039/c5dt04547a","","","0.71073","MoKα","","0.0402","0.0325","","","0.0865","0.0911","","","","","","1.145","","","","has coordinates,has disorder","187134","2020-10-21","18:00:00",""
"7038701","14.3199","0.0019","14.3199","0.0019","19.597","0.003","90","","90","","90","","4018.6","1","88","2","88","2","","","","","","","","4","P -4 21 c","P -4 2n","114","","","","- C40 H60 Lu2 N2 -","- C40 H60 Lu2 N2 -","- C160 H240 Lu8 N8 -","4","0.5","","Fieser, Megan E.; Woen, David H.; Corbey, Jordan F.; Mueller, Thomas J.; Ziller, Joseph W.; Evans, William J.","Raman spectroscopy of the N-N bond in rare earth dinitrogen complexes.","Dalton transactions (Cambridge, England : 2003)","2016","45","37","14634","14644","10.1039/c5dt04547a","","","0.71073","MoKα","","0.0285","0.0254","","","0.065","0.066","","","","","","1.082","","","","has coordinates,has disorder","187134","2020-10-21","18:00:00",""
"7038702","14.317","0.003","14.317","0.003","19.639","0.005","90","","90","","90","","4025.5","1.6","143","2","143","2","","","","","","","","4","P -4 21 c","P -4 2n","114","","","","- C40 H60 Lu2 N2 -","- C40 H60 Lu2 N2 -","- C160 H240 Lu8 N8 -","4","0.5","","Fieser, Megan E.; Woen, David H.; Corbey, Jordan F.; Mueller, Thomas J.; Ziller, Joseph W.; Evans, William J.","Raman spectroscopy of the N-N bond in rare earth dinitrogen complexes.","Dalton transactions (Cambridge, England : 2003)","2016","45","37","14634","14644","10.1039/c5dt04547a","","","0.71073","MoKα","","0.0296","0.0274","","","0.0746","0.0758","","","","","","1.096","","","","has coordinates,has disorder","187134","2020-10-21","18:00:00",""
"7038703","14.4239","0.0019","14.4239","0.0019","19.665","0.003","90","","90","","90","","4091.3","1","88","2","88","2","","","","","","","","4","P -4 21 c","P -4 2n","114","1-Gd","[(C5Me5)2Gd]2(μ-η2:η2-N2)","","- C40 H60 Gd2 N2 -","- C40 H60 Gd2 N2 -","- C160 H240 Gd8 N8 -","4","0.5","","Fieser, Megan E.; Woen, David H.; Corbey, Jordan F.; Mueller, Thomas J.; Ziller, Joseph W.; Evans, William J.","Raman spectroscopy of the N-N bond in rare earth dinitrogen complexes.","Dalton transactions (Cambridge, England : 2003)","2016","45","37","14634","14644","10.1039/c5dt04547a","","","0.71073","MoKα","","0.0183","0.0169","","","0.0418","0.0424","","","","","","1.052","","","","has coordinates","187134","2020-10-21","18:00:00",""
"7038704","14.4075","0.0015","14.4075","0.0015","19.627","0.002","90","","90","","90","","4074.1","0.7","88","2","88","2","","","","","","","","4","P -4 21 c","P -4 2n","114","1-Tb","[(C5Me5)2Tb]2(μ-η2:η2-N2)","","- C40 H60 N2 Tb2 -","- C40 H60 N2 Tb2 -","- C160 H240 N8 Tb8 -","4","0.5","","Fieser, Megan E.; Woen, David H.; Corbey, Jordan F.; Mueller, Thomas J.; Ziller, Joseph W.; Evans, William J.","Raman spectroscopy of the N-N bond in rare earth dinitrogen complexes.","Dalton transactions (Cambridge, England : 2003)","2016","45","37","14634","14644","10.1039/c5dt04547a","","","0.71073","MoKα","","0.0171","0.0159","","","0.0372","0.0377","","","","","","1.028","","","","has coordinates","187134","2020-10-21","18:00:00",""
"7038705","15.2453","0.0007","13.9938","0.0006","25.6281","0.0011","90","","104.773","0.0004","90","","5286.7","0.4","88","2","88","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","2-Gd","[(C5Me4H)2(THF)Gd]2(μ-η2:η2-N2)","","- C58 H84 Gd2 N2 O2 -","- C58 H82 Gd2 N2 O2 -","- C232 H328 Gd8 N8 O8 -","4","0.5","","Fieser, Megan E.; Woen, David H.; Corbey, Jordan F.; Mueller, Thomas J.; Ziller, Joseph W.; Evans, William J.","Raman spectroscopy of the N-N bond in rare earth dinitrogen complexes.","Dalton transactions (Cambridge, England : 2003)","2016","45","37","14634","14644","10.1039/c5dt04547a","","","0.71073","MoKα","","0.0229","0.019","","","0.0425","0.0449","","","","","","1.071","","","","has coordinates,has disorder","187134","2020-10-21","18:00:00",""
"7038706","15.7376","0.0015","14.1959","0.0014","18.9717","0.0018","90","","101.218","0.0011","90","","4157.5","0.7","133","2","133","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","2-Dy","[(C5Me4H)2(THF)Dy]2(μ-η2:η2-N2)","","- C44 H68 Dy2 N2 O2 -","- C44 H68 Dy2 N2 O2 -","- C176 H272 Dy8 N8 O8 -","4","0.5","","Fieser, Megan E.; Woen, David H.; Corbey, Jordan F.; Mueller, Thomas J.; Ziller, Joseph W.; Evans, William J.","Raman spectroscopy of the N-N bond in rare earth dinitrogen complexes.","Dalton transactions (Cambridge, England : 2003)","2016","45","37","14634","14644","10.1039/c5dt04547a","","","0.71073","MoKα","","0.0369","0.0316","","","0.0767","0.079","","","","","","1.078","","","","has coordinates","187134","2020-10-21","18:00:00",""
"7038707","11.91","0.0009","10.0376","0.0007","12.6988","0.0009","90","","95.7802","0.0009","90","","1510.4","0.19","88","2","88","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","3-Y","[(C5H4Me)2Y]2(μ-η2:η2-N2)","","- C32 H44 N2 O2 Y2 -","- C32 H44 N2 O2 Y2 -","- C64 H88 N4 O4 Y4 -","2","0.5","","Fieser, Megan E.; Woen, David H.; Corbey, Jordan F.; Mueller, Thomas J.; Ziller, Joseph W.; Evans, William J.","Raman spectroscopy of the N-N bond in rare earth dinitrogen complexes.","Dalton transactions (Cambridge, England : 2003)","2016","45","37","14634","14644","10.1039/c5dt04547a","","","0.71073","MoKα","","0.0226","0.0193","","","0.0443","0.0453","","","","","","1.034","","","","has coordinates","187134","2020-10-21","18:00:00",""
"7038708","11.9046","0.0007","10.0279","0.0006","12.7468","0.0008","90","","95.7793","0.0008","90","","1513.95","0.16","133","2","133","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","[(C5H4Me)2Dy]2(μ-η2:η2-N2)","","","- C32 H44 Dy2 N2 O2 -","- C32 H44 Dy2 N2 O2 -","- C64 H88 Dy4 N4 O4 -","2","0.5","","Fieser, Megan E.; Woen, David H.; Corbey, Jordan F.; Mueller, Thomas J.; Ziller, Joseph W.; Evans, William J.","Raman spectroscopy of the N-N bond in rare earth dinitrogen complexes.","Dalton transactions (Cambridge, England : 2003)","2016","45","37","14634","14644","10.1039/c5dt04547a","","","0.71073","MoKα","","0.0183","0.0164","","","0.0396","0.0403","","","","","","1.036","","","","has coordinates","187134","2020-10-21","18:00:00",""
"7038709","11.609","0.004","10.843","0.003","20.674","0.007","90","","91.013","0.008","90","","2602","1.4","173","","173","","","","","","","","","7","P 1 21 1","P 2yb","4","[Pd(Cl)(NCPh)(IMes)2]BF4","chloro-benzonitrile-N,N?-bis{2,4,6-(trimethyl)phenyl}imidazol-2-ylidene-N,N?-bis{2,4,6-(trimethyl)phenyl} imidazol-2-ylidene palladium(II) tetrafluoroborate","","- C50 H54 B Cl4 F4 N5 Pd -","- C50 H54 B Cl4 F4 N5 Pd -","- C100 H108 B2 Cl8 F8 N10 Pd2 -","2","1","","Santoro, Orlando; Lazreg, Faïma; Cordes, David B.; Slawin, Alexandra M. Z.; Cazin, Catherine S. J.","Homoleptic and heteroleptic bis-NHC Cu(i) complexes as carbene transfer reagents.","Dalton transactions (Cambridge, England : 2003)","2016","45","12","4970","4973","10.1039/c6dt00595k","","","0.71075","MoKα","","0.1598","0.1213","","","0.3075","0.3253","","","","","","1.086","","","","has coordinates","181668","2020-10-21","18:00:00",""
"7038710","18.242","0.003","16.276","0.002","18.471","0.003","90","","115.779","0.004","90","","4938.4","1.3","173","","173","","","","","","","","","7","C 1 c 1","C -2yc","9","[Pd(Cl)(NCPh)(IPr)(ItBu)]BF4","chloro-benzonitrile-N,N?-bis-{2,6-(di-iso-propyl)phenyl}imidazol-2-ylidene-N,N?-(di-tert-butyl)imidazol-2-ylidene palladium (II) tetrafluoroborate","","- C46 H62 B Cl4 F4 N5 Pd -","- C46 H62 B Cl4 F4 N5 Pd -","- C184 H248 B4 Cl16 F16 N20 Pd4 -","4","1","","Santoro, Orlando; Lazreg, Faïma; Cordes, David B.; Slawin, Alexandra M. Z.; Cazin, Catherine S. J.","Homoleptic and heteroleptic bis-NHC Cu(i) complexes as carbene transfer reagents.","Dalton transactions (Cambridge, England : 2003)","2016","45","12","4970","4973","10.1039/c6dt00595k","","","0.71075","MoKα","","0.0756","0.0532","","","0.1129","0.123","","","","","","1.022","","","","has coordinates","181668","2020-10-21","18:00:00",""
"7038711","25.087","0.005","4.564","0.0009","25.103","0.005","90","","111.08","0.03","90","","2681.9","1.1","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C24 H12 I2 N4 O4 Pb -","- C24 H12 I2 N4 O4 Pb -","- C96 H48 I8 N16 O16 Pb4 -","4","0.5","","Liu, Jian-Jun; Chen, Yong; Lin, Mei-Jin; Huang, Chang-Cang; Dai, Wen-Xin","Two-semiconductive-component hybrid coordination polymers with controllable photo-induced electron-transfer properties.","Dalton transactions (Cambridge, England : 2003)","2016","45","15","6339","6342","10.1039/c6dt00455e","","","0.71073","MoKα","","0.0559","0.052","","","0.1359","0.1389","","","","","","1.01","","","","has coordinates","182691","2020-10-21","18:00:00",""
"7038712","14.484","0.003","4.1532","0.0008","20.91","0.004","90","","92.11","0.03","90","","1257","0.4","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C12 H6 Cu I N2 O2 -","- C12 H6 Cu I N2 O2 -","- C48 H24 Cu4 I4 N8 O8 -","4","1","","Liu, Jian-Jun; Chen, Yong; Lin, Mei-Jin; Huang, Chang-Cang; Dai, Wen-Xin","Two-semiconductive-component hybrid coordination polymers with controllable photo-induced electron-transfer properties.","Dalton transactions (Cambridge, England : 2003)","2016","45","15","6339","6342","10.1039/c6dt00455e","","","0.71073","MoKα","","0.0519","0.0443","","","0.1193","0.1241","","","","","","1.043","","","","has coordinates","182691","2020-10-21","18:00:00",""
"7038713","11.214","0.0004","14.028","0.0005","23.0967","0.0007","90","","90","","90","","3633.3","0.2","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C34 H64 P2 Pt Si2 -","- C34 H64 P2 Pt Si2 -","- C136 H256 P8 Pt4 Si8 -","4","1","","Mitzenheim, Cathérine; Braun, Thomas; Laubenstein, Reik; Braun, Beatrice; Herrmann, Roy","Hydrodealkoxylation reactions of silyl ligands at platinum: reactivity of SiH3 and SiH2Me complexes.","Dalton transactions (Cambridge, England : 2003)","2016","45","15","6394","6404","10.1039/c5dt04923g","","","0.71073","MoKα","","0.0257","0.0229","","","0.0456","0.0463","","","","","","0.998","","","","has coordinates","182696","2020-10-21","18:00:00",""
"7038714","11.5338","0.0008","18.057","0.0013","20.1236","0.0014","85.305","0.002","73.897","0.002","83.984","0.002","3998.3","0.5","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C34 H60 Cl4 P2 Pt Si2 -","- C34 H60 Cl4.00005 P2 Pt Si2 -","- C136 H240 Cl16.0002 P8 Pt4 Si8 -","4","2","","Mitzenheim, Cathérine; Braun, Thomas; Laubenstein, Reik; Braun, Beatrice; Herrmann, Roy","Hydrodealkoxylation reactions of silyl ligands at platinum: reactivity of SiH3 and SiH2Me complexes.","Dalton transactions (Cambridge, England : 2003)","2016","45","15","6394","6404","10.1039/c5dt04923g","","","0.71073","MoKα","","0.062","0.0514","","","0.1229","0.1297","","","","","","1.047","","","","has coordinates,has disorder","182696","2020-10-21","18:00:00",""
"7038715","12.1585","0.0017","18.428","0.003","15.976","0.003","90","","101.39","0.012","90","","3509","1","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C32 H54 I2 P2 Pt -","- C32 H54 I2 P2 Pt -","- C128 H216 I8 P8 Pt4 -","4","1","","Mitzenheim, Cathérine; Braun, Thomas; Laubenstein, Reik; Braun, Beatrice; Herrmann, Roy","Hydrodealkoxylation reactions of silyl ligands at platinum: reactivity of SiH3 and SiH2Me complexes.","Dalton transactions (Cambridge, England : 2003)","2016","45","15","6394","6404","10.1039/c5dt04923g","","","0.71073","MoKα","","0.0359","0.0265","","","0.0731","0.0747","","","","","","0.906","","","","has coordinates","182696","2020-10-21","18:00:00",""
"7038716","12.1375","0.0001","17.163","0.0001","19.5734","0.0002","90","","97.0378","0.0008","90","","4046.73","0.06","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C48 H50 B F2 Mn N4 O2 -","- C48 H50 B F2 Mn N4 O2 -","- C192 H200 B4 F8 Mn4 N16 O8 -","4","1","","Fitzpatrick, A. J.; Stepanovic, S.; Müller-Bunz, H; Gruden-Pavlović, M A; García-Fernández, P; Morgan, G. G.","Challenges in assignment of orbital populations in a high spin manganese(iii) complex.","Dalton transactions (Cambridge, England : 2003)","2016","45","15","6702","6708","10.1039/c5dt03914b","","","0.71073","MoKα","","0.0434","0.0355","","","0.0865","0.0914","","","","","","1.05","","","","has coordinates","182698","2020-10-21","18:00:00",""
"7038717","10.9926","0.0002","17.3651","0.0003","14.5485","0.0002","90","","97.061","0.001","90","","2756.07","0.08","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C25 H30 F5 Mn N4 O5 S -","- C25 H30 F5 Mn N4 O5 S -","- C100 H120 F20 Mn4 N16 O20 S4 -","4","1","","Fitzpatrick, A. J.; Stepanovic, S.; Müller-Bunz, H; Gruden-Pavlović, M A; García-Fernández, P; Morgan, G. G.","Challenges in assignment of orbital populations in a high spin manganese(iii) complex.","Dalton transactions (Cambridge, England : 2003)","2016","45","15","6702","6708","10.1039/c5dt03914b","","","0.71073","MoKα","","0.0389","0.0316","","","0.0731","0.0778","","","","","","1.053","","","","has coordinates","182698","2020-10-21","18:00:00",""
"7038718","10.5191","0.0001","17.2551","0.0002","14.5888","0.0002","90","","95.3305","0.0009","90","","2636.53","0.05","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C24 H30 F8 Mn N4 O2 P -","- C24 H30 F8 Mn N4 O2 P -","- C96 H120 F32 Mn4 N16 O8 P4 -","4","1","","Fitzpatrick, A. J.; Stepanovic, S.; Müller-Bunz, H; Gruden-Pavlović, M A; García-Fernández, P; Morgan, G. G.","Challenges in assignment of orbital populations in a high spin manganese(iii) complex.","Dalton transactions (Cambridge, England : 2003)","2016","45","15","6702","6708","10.1039/c5dt03914b","","","0.71073","MoKα","","0.0367","0.0331","","","0.0871","0.0896","","","","","","1.024","","","","has coordinates,has disorder","182698","2020-10-21","18:00:00",""
"7038719","26.4731","0.0003","10.7771","0.0001","19.8816","0.0002","90","","109.193","0.001","90","","5357","0.1","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C24 H30 F8 Mn N4 O2 Sb -","- C24 H30 F8 Mn N4 O2 Sb -","- C192 H240 F64 Mn8 N32 O16 Sb8 -","8","1","","Fitzpatrick, A. J.; Stepanovic, S.; Müller-Bunz, H; Gruden-Pavlović, M A; García-Fernández, P; Morgan, G. G.","Challenges in assignment of orbital populations in a high spin manganese(iii) complex.","Dalton transactions (Cambridge, England : 2003)","2016","45","15","6702","6708","10.1039/c5dt03914b","","","0.71073","MoKα","","0.0212","0.0188","","","0.0462","0.0473","","","","","","1.063","","","","has coordinates","182698","2020-10-21","18:00:00",""
"7038720","22.483","0.005","14.057","0.003","29.614","0.006","90","","111.74","0.02","90","","8694","3","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","mars4da","","- C98 H96 Cl Mn4 N1.6 O16 -","- C98 H96 Cl Mn4 N1.6 O16 -","- C392 H384 Cl4 Mn16 N6.4 O64 -","4","1","","Sobocińska, M; Antkowiak, M.; Wojciechowski, M.; Kamieniarz, G.; Utko, J.; Lis, T.","New tetranuclear manganese clusters with [MnMn(III)] and [MnMn] metallic cores exhibiting low and high spin ground state.","Dalton transactions (Cambridge, England : 2003)","2016","45","17","7303","7311","10.1039/c5dt04869a","","","0.71073","MoKα","","0.0613","0.0438","","","0.1084","0.1137","","","","","","1.016","","","","has coordinates,has disorder","182735","2020-10-21","18:00:00",""
"7038721","11.252","0.003","13.134","0.004","11.161","0.003","90","","105.16","0.02","90","","1592","0.8","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","mars10a","","- C18 H42 Cl4 Mn4 O12 -","- C18 H42 Cl4 Mn4 O12 -","- C36 H84 Cl8 Mn8 O24 -","2","0.5","","Sobocińska, M; Antkowiak, M.; Wojciechowski, M.; Kamieniarz, G.; Utko, J.; Lis, T.","New tetranuclear manganese clusters with [MnMn(III)] and [MnMn] metallic cores exhibiting low and high spin ground state.","Dalton transactions (Cambridge, England : 2003)","2016","45","17","7303","7311","10.1039/c5dt04869a","","","0.71073","MoKα","","0.0437","0.0295","","","0.0564","0.0609","","","","","","1.022","","","","has coordinates","182735","2020-10-21","18:00:00",""
"7038722","11.7571","0.001","28.053","0.002","21.7258","0.0019","90","","104.953","0.001","90","","6923","1","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C50 H81 Cl3 N O17 Sb3 Si6 -","- C50 H81 Cl3 N O17 Sb3 Si6 -","- C200 H324 Cl12 N4 O68 Sb12 Si24 -","4","1","","Santhana Raj Prabhu, M.; Ugandhar, Uppara; Baskar, Viswanathan","In situ generated polysiloxanes stabilizing μ3-oxo bridged Sb3 triangles.","Dalton transactions (Cambridge, England : 2003)","2016","45","16","6963","6967","10.1039/c5dt01590a","","","0.71073","MoKα","","0.0347","0.0311","","","0.0776","0.0796","","","","","","1.042","","","","has coordinates,has disorder","182710","2020-10-21","18:00:00",""
"7038723","11.741","0.01","28.21","0.02","21.863","0.018","90","","104.994","0.014","90","","6995","10","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C50 H81 Br2.99 N O17 Sb3 Si6 -","- C50 H81 Br3 N O17 Sb3 Si6 -","- C200 H324 Br12 N4 O68 Sb12 Si24 -","4","1","","Santhana Raj Prabhu, M.; Ugandhar, Uppara; Baskar, Viswanathan","In situ generated polysiloxanes stabilizing μ3-oxo bridged Sb3 triangles.","Dalton transactions (Cambridge, England : 2003)","2016","45","16","6963","6967","10.1039/c5dt01590a","","","0.71073","MoKα","","0.0957","0.0694","","","0.131","0.1414","","","","","","1.104","","","","has coordinates,has disorder","182710","2020-10-21","18:00:00",""
"7038724","12.3465","0.0014","13.1911","0.0015","23.155","0.003","99.92","0.002","95.997","0.002","105.084","0.002","3542.3","0.7","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C51 H75 Cl6 N3 O16 Sb3 Si6 -","- C51 H76 Cl6 N3 O16 Sb3 Si6 -","- C102 H152 Cl12 N6 O32 Sb6 Si12 -","2","1","","Santhana Raj Prabhu, M.; Ugandhar, Uppara; Baskar, Viswanathan","In situ generated polysiloxanes stabilizing μ3-oxo bridged Sb3 triangles.","Dalton transactions (Cambridge, England : 2003)","2016","45","16","6963","6967","10.1039/c5dt01590a","","","0.71073","MoKα","","0.0505","0.0413","","","0.0943","0.0991","","","","","","1.024","","","","has coordinates","182710","2020-10-21","18:00:00",""
"7038725","15.0752","0.0012","16.0739","0.0013","16.908","0.0014","100.488","0.001","91.038","0.001","91.518","0.001","4026.1","0.6","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C61 H106 N5 O17 Sb3 Si6 -","- C61 H106 N5 O17 Sb3 Si6 -","- C122 H212 N10 O34 Sb6 Si12 -","2","1","","Santhana Raj Prabhu, M.; Ugandhar, Uppara; Baskar, Viswanathan","In situ generated polysiloxanes stabilizing μ3-oxo bridged Sb3 triangles.","Dalton transactions (Cambridge, England : 2003)","2016","45","16","6963","6967","10.1039/c5dt01590a","","","0.71073","MoKα","","0.0313","0.0279","","","0.0704","0.0725","","","","","","1.041","","","","has coordinates,has disorder","198632","2020-10-21","18:00:00",""
"7038726","12.7246","0.0003","12.7246","0.0003","12.7246","0.0003","90","","90","","90","","2060.31","0.08","293","2","293","2","","","","","","","","6","P 21 3","P 2ac 2ab 3","198","","","","- B3 Cs2 Li3 O24 P6 Pb2 -","- B3 Cs2 Li3 O24 P6 Pb2 -","- B12 Cs8 Li12 O96 P24 Pb8 -","4","0.333333","","Zhang, Li-Jun; Li, Yan-Yan; Liu, Peng-Fei; Chen, Ling","Li3Cs2M2B3P6O24 (M = Pb, Sr): borophosphates with double six-membered ring of [BP2O8](3.).","Dalton transactions (Cambridge, England : 2003)","2016","45","16","7124","7130","10.1039/c6dt00498a","","","0.71073","MoKα","","0.0178","0.0173","","","0.0286","0.0288","","","","","","0.964","","","","has coordinates","182714","2020-10-21","18:00:00",""
"7038727","12.6874","0.0013","12.6874","0.0013","12.6874","0.0013","90","","90","","90","","2042.3","0.4","293","2","293","2","","","","","","","","6","P 21 3","P 2ac 2ab 3","198","","","","- B3 Cs2 Li3 O24 P6 Sr2 -","- B3 Cs2 Li3 O24 P6 Sr2 -","- B12 Cs8 Li12 O96 P24 Sr8 -","4","0.333333","","Zhang, Li-Jun; Li, Yan-Yan; Liu, Peng-Fei; Chen, Ling","Li3Cs2M2B3P6O24 (M = Pb, Sr): borophosphates with double six-membered ring of [BP2O8](3.).","Dalton transactions (Cambridge, England : 2003)","2016","45","16","7124","7130","10.1039/c6dt00498a","","","0.71073","MoKα","","0.0181","0.0173","","","0.034","0.0342","","","","","","1.042","","","","has coordinates","182714","2020-10-21","18:00:00",""
"7038728","11.823","0.002","11.823","0.002","41.384","0.008","90","","90","","120","","5009.8","1.5","100","2","100","2","","","","","","","","5","P 61","P 61","169","","","","- C36 H28 Cd2 N6 O8 -","- C36 H28 Cd2 N6 O8 -","- C216 H168 Cd12 N36 O48 -","6","1","","Qu, Xiang-Long; Gui, Di; Zheng, Xiao-Li; Li, Rui; Han, Hong-Liang; Li, Xia; Li, Pei-Zhou","A Cd(ii)-based metal-organic framework as a luminance sensor to nitrobenzene and Tb(iii) ion.","Dalton transactions (Cambridge, England : 2003)","2016","45","16","6983","6989","10.1039/c6dt00162a","","","0.71073","MoKα","","0.057","0.0386","","","0.0531","0.0578","","","","","","0.984","","","","has coordinates,has disorder","182718","2020-10-21","18:00:00",""
"7038729","14.1313","0.0006","14.1313","0.0006","28.8408","0.0013","90","","90","","90","","5759.3","0.4","103","2","103","2","","","","","","","","5","I -4 2 d","I -4 2bw","122","","","","- C24 H14 O10 Os3 Te2 -","- C24 H14 O10 Os3 Te2 -","- C192 H112 O80 Os24 Te16 -","8","0.5","","Shim, E. K. S.; Leong, W. K.; Li, Y.-Z.; Richmond, M. G.","Isomerization of the osmium-tellurium cluster Os3(μ-TeR)2(CO)10: a kinetic and computational study.","Dalton transactions (Cambridge, England : 2003)","2016","45","16","7158","7162","10.1039/c6dt00588h","","","0.71073","MoKα","","0.018","0.0168","","","0.0355","0.0358","","","","","","1.033","","","","has coordinates","182719","2020-10-21","18:00:00",""
"7038730","13.972","0.003","13.972","0.003","13.972","0.003","90","","90","","90","","2727.6","1","296","2","296","2","","","","","","","","4","F d -3 m :2","-F 4vw 2vw 3","227","","","","- B5 Cd8 F O15 -","- B5 Cd8 F O15 -","- B40 Cd64 F8 O120 -","8","0.0416667","","Yang, Yun; Dong, Xiaoyu; Pan, Shilie","New fluoroborate Cd8B5O15F with two different isolated borate anions prepared by an open high-temperature solution method.","Dalton transactions (Cambridge, England : 2003)","2016","45","16","7008","7013","10.1039/c6dt00621c","","","0.71073","MoKα","","0.0521","0.0504","","","0.1494","0.1521","","","","","","1.19","","","","has coordinates","182721","2020-10-21","18:00:00",""
"7038731","16.235","0.008","9.365","0.005","16.264","0.008","90","","116.786","0.007","90","","2207.5","1.9","100","2","100","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C30 H11.01 N4 O7 Zn2 -","- C30 H11 N3.99 O7 Zn2 -","- C60 H22 N7.98 O14 Zn4 -","2","0.5","","Ding, Qing-Rong; Wang, Fei","A pillared-layer framework with high uptake and selective sorption of light hydrocarbons.","Dalton transactions (Cambridge, England : 2003)","2016","45","16","7004","7007","10.1039/c6dt00238b","","","0.71073","MoKα","","0.1515","0.1079","","","0.3371","0.3859","","","","","","1.077","","","","has coordinates","182711","2020-10-21","18:00:00",""
"7038732","15.3657","0.0004","15.3657","0.0004","17.7122","0.0005","90","","90","","120","","3621.66","0.17","293","2","293","2","","","","","","","","5","P 63/m","-P 6c","176","","","","- C54 H8 Ag16 N110 O27 -","- C54 H8.16 Ag16 N110 O27 -","- C54 H8.16 Ag16 N110 O27 -","1","0.0833333","","Qu, Xiao-Ni; Zhang, Sheng; Wang, Bo-Zhou; Yang, Qi; Han, Jing; Wei, Qing; Xie, Gang; Chen, San-Ping","An Ag(i) energetic metal-organic framework assembled with the energetic combination of furazan and tetrazole: synthesis, structure and energetic performance.","Dalton transactions (Cambridge, England : 2003)","2016","45","16","6968","6973","10.1039/c6dt00218h","","","0.71073","MoKα","","0.0605","0.0524","","","0.1395","0.1447","","","","","","1.047","","","","has coordinates,has disorder","182713","2020-10-21","18:00:00",""
"7038733","7.2564","0.0005","11.7148","0.001","13.8168","0.0014","78.098","0.008","82.292","0.005","85.667","0.006","1137.5","0.17","200","2","200","2","","","","","","","synthesis as described","6","P -1","-P 1","2","Compound compound10","","","- C19 H37 Cl2 N Ru Si -","- C19 H37 Cl2 N Ru Si -","- C38 H74 Cl4 N2 Ru2 Si2 -","2","1","","Maroto-Díaz, Marta; Elie, Benelita T.; Gómez-Sal, Pilar; Pérez-Serrano, Jorge; Gómez, Rafael; Contel, María; Javier de la Mata, F.","Synthesis and anticancer activity of carbosilane metallodendrimers based on arene ruthenium(ii) complexes.","Dalton transactions (Cambridge, England : 2003)","2016","45","16","7049","7066","10.1039/c6dt00465b","","x-ray","0.71073","MoKα","","0.098","0.0487","","","0.1049","0.1253","","","","","","0.755","","","","has coordinates","182723","2020-10-21","18:00:00",""
"7038734","20.953","0.004","15.154","0.003","35.765","0.007","90","","101.596","0.003","90","","11124","4","173","2","173","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C96 H120 Cl8 F12 N6 O19 Rh4 S4 -","- C86 H96 Cl4 F12 N6 O17 Rh4 S4 -","- C344 H384 Cl16 F48 N24 O68 Rh16 S16 -","4","0.5","","Lin, Lin; Zhang, Ying-Ying; Lin, Yue-Jian; Jin, Guo-Xin","Half-sandwich rhodium and iridium metallamacrocycles constructed via C-H activation.","Dalton transactions (Cambridge, England : 2003)","2016","45","16","7014","7021","10.1039/c5dt04777c","","","0.71073","MoKα","","0.1489","0.1272","","","0.3125","0.3256","","","","","","1.092","","","","has coordinates,has disorder","182728","2020-10-21","18:00:00",""
"7038735","16.5853","0.0017","14.0474","0.0014","32.107","0.003","90","","102.123","0.002","90","","7313.5","1.3","173","2","173","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C69 H85 F6 N6 O11.5 Rh4 S2 -","- C67 H80 F6 N6 O11 Rh4 S2 -","- C268 H320 F24 N24 O44 Rh16 S8 -","4","1","","Lin, Lin; Zhang, Ying-Ying; Lin, Yue-Jian; Jin, Guo-Xin","Half-sandwich rhodium and iridium metallamacrocycles constructed via C-H activation.","Dalton transactions (Cambridge, England : 2003)","2016","45","16","7014","7021","10.1039/c5dt04777c","","","0.71073","MoKα","","0.1204","0.0807","","","0.2049","0.2275","","","","","","1.061","","","","has coordinates,has disorder","182728","2020-10-21","18:00:00",""
"7038736","35.819","0.002","14.2489","0.0009","19.1425","0.0013","90","","109.846","0.001","90","","9189.7","1","173","2","173","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C82 H112 F6 N6 O20 Rh4 S2 -","- C80 H92 F6 N6 O12 Rh4 S2 -","- C320 H368 F24 N24 O48 Rh16 S8 -","4","0.5","","Lin, Lin; Zhang, Ying-Ying; Lin, Yue-Jian; Jin, Guo-Xin","Half-sandwich rhodium and iridium metallamacrocycles constructed via C-H activation.","Dalton transactions (Cambridge, England : 2003)","2016","45","16","7014","7021","10.1039/c5dt04777c","","","0.71073","MoKα","","0.0653","0.0544","","","0.1488","0.1565","","","","","","1.095","","","","has coordinates,has disorder","182728","2020-10-21","18:00:00",""
"7038737","22.801","0.0019","12.679","0.0011","32.042","0.003","90","","97.457","0.001","90","","9184.8","1.4","193","2","193","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C71 H84 Cl6 F12 N6 O16 Rh4 S4 -","- C70 H82 Cl4 F12 N6 O16 Rh4 S4 -","- C280 H328 Cl16 F48 N24 O64 Rh16 S16 -","4","1","","Lin, Lin; Zhang, Ying-Ying; Lin, Yue-Jian; Jin, Guo-Xin","Half-sandwich rhodium and iridium metallamacrocycles constructed via C-H activation.","Dalton transactions (Cambridge, England : 2003)","2016","45","16","7014","7021","10.1039/c5dt04777c","","","0.71073","MoKα","","0.0829","0.0557","","","0.1378","0.15","","","","","","1.025","","","","has coordinates,has disorder","182728","2020-10-21","18:00:00",""
"7038738","29.337","0.005","14.113","0.002","14.318","0.002","90","","112.28","0.003","90","","5485.5","1.4","173","2","173","2","","","","","","","","7","C 1 2 1","C 2y","5","","","","- C88 H130 F12 N6 O30 Rh4 S4 -","- C80 H86 F12 N6 O16 Rh4 S4 -","- C160 H172 F24 N12 O32 Rh8 S8 -","2","0.5","","Lin, Lin; Zhang, Ying-Ying; Lin, Yue-Jian; Jin, Guo-Xin","Half-sandwich rhodium and iridium metallamacrocycles constructed via C-H activation.","Dalton transactions (Cambridge, England : 2003)","2016","45","16","7014","7021","10.1039/c5dt04777c","","","0.71073","MoKα","","0.0719","0.0519","","","0.1324","0.1424","","","","","","0.964","","","","has coordinates","182728","2020-10-21","18:00:00",""
"7038739","10.157","0.0016","25.995","0.004","53.545","0.008","90","","90","","90","","14138","4","173","2","173","2","","","","","","","","6","F m m m","-F 2 2","69","","","","- C92 H96 Cl8 Ir4 N4 O8 -","- C88 H88 Ir4 N4 O8 -","- C352 H352 Ir16 N16 O32 -","4","0.125","","Lin, Lin; Zhang, Ying-Ying; Lin, Yue-Jian; Jin, Guo-Xin","Half-sandwich rhodium and iridium metallamacrocycles constructed via C-H activation.","Dalton transactions (Cambridge, England : 2003)","2016","45","16","7014","7021","10.1039/c5dt04777c","","","0.71073","MoKα","","0.0661","0.0517","","","0.1544","0.1612","","","","","","1.064","","","","has coordinates,has disorder","182728","2020-10-21","18:00:00",""
"7038740","14.728","0.015","14.785","0.016","15.17","0.03","117.078","0.017","91.549","0.016","117.8","0.012","2479","6","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C80 H108 F12 Ir4 N8 O16 S4 -","- C80 H108 F12 Ir4 N8 O16 S4 -","- C80 H108 F12 Ir4 N8 O16 S4 -","1","0.5","","Lin, Lin; Zhang, Ying-Ying; Lin, Yue-Jian; Jin, Guo-Xin","Half-sandwich rhodium and iridium metallamacrocycles constructed via C-H activation.","Dalton transactions (Cambridge, England : 2003)","2016","45","16","7014","7021","10.1039/c5dt04777c","","","0.71073","MoKα","","0.1091","0.0804","","","0.2282","0.2633","","","","","","0.989","","","","has coordinates","182728","2020-10-21","18:00:00",""
"7038741","20.973","0.003","15.042","0.002","36.067","0.005","90","","101.963","0.002","90","","11131","3","173","2","173","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C92 H114 Cl8 F12 Ir4 N6 O20 S4 -","- C86 H94 Cl4 F12 Ir4 N6 O16 S4 -","- C344 H376 Cl16 F48 Ir16 N24 O64 S16 -","4","0.5","","Lin, Lin; Zhang, Ying-Ying; Lin, Yue-Jian; Jin, Guo-Xin","Half-sandwich rhodium and iridium metallamacrocycles constructed via C-H activation.","Dalton transactions (Cambridge, England : 2003)","2016","45","16","7014","7021","10.1039/c5dt04777c","","","0.71073","MoKα","","0.1009","0.0828","","","0.1945","0.2021","","","","","","1.096","","","","has coordinates","182728","2020-10-21","18:00:00",""
"7038742","8.1153","0.0016","13.915","0.003","15.561","0.003","83.682","0.004","81.785","0.004","89.608","0.005","1728.6","0.6","153","","153","","","","","","","","","4","P -1","-P 1","2","","","","- C43 H38 N6 O -","- C43 H38 N6 O -","- C86 H76 N12 O2 -","2","1","","Mikata, Yuji; Ohnishi, Risa; Ugai, Anna; Konno, Hideo; Nakata, Yasushi; Hamagami, Ikuko; Sato, Shin-Ichiro","OFF-ON-OFF fluorescent response of N,N,N',N'-tetrakis(1-isoquinolylmethyl)-2-hydroxy-1,3-propanediamine (1-isoHTQHPN) toward Zn(2.).","Dalton transactions (Cambridge, England : 2003)","2016","45","17","7250","7257","10.1039/c6dt00506c","","","0.71075","MoKα","","0.0743","0.0553","","","0.1311","0.1518","","","","","","1.132","","","","has coordinates","182754","2020-10-21","18:00:00",""
"7038743","11.2705","0.0007","11.8818","0.0006","35.6284","0.0018","90","","96.448","0.003","90","","4741","0.4","153","","153","","","","","","","","","6","P 1 2/n 1","-P 2yac","13","","","","- C46.5 H49 Cl2 N6 O11.5 Zn -","- C46.5 H42 Cl2 N6 O11.5 Zn -","- C186 H168 Cl8 N24 O46 Zn4 -","4","1","","Mikata, Yuji; Ohnishi, Risa; Ugai, Anna; Konno, Hideo; Nakata, Yasushi; Hamagami, Ikuko; Sato, Shin-Ichiro","OFF-ON-OFF fluorescent response of N,N,N',N'-tetrakis(1-isoquinolylmethyl)-2-hydroxy-1,3-propanediamine (1-isoHTQHPN) toward Zn(2.).","Dalton transactions (Cambridge, England : 2003)","2016","45","17","7250","7257","10.1039/c6dt00506c","","","0.7107","MoKα","","0.0848","0.074","","","0.2207","0.2349","","","","","","1.06","","","","has coordinates","182754","2020-10-21","18:00:00",""
"7038744","18.4865","0.0006","12.3565","0.0003","21.1884","0.0007","90","","92.6176","0.0017","90","","4835","0.3","153","","153","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C49 H46 Cl2 N8 O11 Zn2 -","- C49 H46 Cl2 N8 O11 Zn2 -","- C196 H184 Cl8 N32 O44 Zn8 -","4","1","","Mikata, Yuji; Ohnishi, Risa; Ugai, Anna; Konno, Hideo; Nakata, Yasushi; Hamagami, Ikuko; Sato, Shin-Ichiro","OFF-ON-OFF fluorescent response of N,N,N',N'-tetrakis(1-isoquinolylmethyl)-2-hydroxy-1,3-propanediamine (1-isoHTQHPN) toward Zn(2.).","Dalton transactions (Cambridge, England : 2003)","2016","45","17","7250","7257","10.1039/c6dt00506c","","","0.7107","MoKα","","","0.057","","","","0.1693","","","","","","1.069","","","","has coordinates","182754","2020-10-21","18:00:00",""
"7038745","11.275","0.003","18.349","0.005","12.715","0.003","90","","110.275","0.003","90","","2467.6","1.1","123","","123","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C46 H51 Cl3 N6 O17 Zn2 -","- C46 H40 Cl3 N6 O17 Zn2 -","- C92 H80 Cl6 N12 O34 Zn4 -","2","1","","Mikata, Yuji; Ohnishi, Risa; Ugai, Anna; Konno, Hideo; Nakata, Yasushi; Hamagami, Ikuko; Sato, Shin-Ichiro","OFF-ON-OFF fluorescent response of N,N,N',N'-tetrakis(1-isoquinolylmethyl)-2-hydroxy-1,3-propanediamine (1-isoHTQHPN) toward Zn(2.).","Dalton transactions (Cambridge, England : 2003)","2016","45","17","7250","7257","10.1039/c6dt00506c","","","0.7107","MoKα","","0.0767","0.0613","","","0.1444","0.1588","","","","","","1.101","","","","has coordinates","182754","2020-10-21","18:00:00",""
"7038746","7.672","0.007","6.168","0.005","8.781","0.009","90","","111.232","0.014","90","","387.3","0.6","293","2","293","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- H Mn O9 Pb2 V2 -","- H Mn O9 Pb2 V2 -","- H2 Mn2 O18 Pb4 V4 -","2","0.5","","Zhang, Suyun; Xiang, Hongping; Guo, Wenbin; Tang, Yingying; Cui, Meiyan; He, Zhangzhen","Synthesis, characterization, and mechanism analysis of S = 2 quasi-one-dimensional ferromagnetic semiconductor Pb2Mn(VO4)2(OH).","Dalton transactions (Cambridge, England : 2003)","2016","45","16","7022","7027","10.1039/c6dt00412a","","","0.71073","MoKα","","0.0367","0.0324","","","0.0678","0.07","","","","","","1.062","","","","has coordinates","209503","2020-10-21","18:00:00",""
"7038747","12.7151","0.0018","12.7151","0.0018","28.077","0.004","90","","90","","120","","3931.2","1","296","2","296","2","","","","","","","","6","R 3 :H","R 3","146","","","","- C48 H63 Cl2 Fe N9 O8 -","- C48 H63 Cl2 Fe N9 O7.96 -","- C144 H189 Cl6 Fe3 N27 O23.88 -","3","0.333333","","Qin, Long-Fang; Pang, Chun-Yan; Han, Wang-Kang; Zhang, Feng-Li; Tian, Lei; Gu, Zhi-Guo; Ren, Xuehong; Li, Zaijun","Spin crossover properties of enantiomers, co-enantiomers, racemates, and co-racemates.","Dalton transactions (Cambridge, England : 2003)","2016","45","17","7340","7348","10.1039/c6dt00210b","","","0.71073","MoKα","","0.0527","0.0501","","","0.1381","0.1409","","","","","","1.007","","","","has coordinates,has disorder","182758","2020-10-21","18:00:00",""
"7038748","12.7337","0.0012","12.7337","0.0012","28.004","0.002","90","","90","","120","","3932.4","0.6","296","2","296","2","","","","","","","","6","R 3 :H","R 3","146","","","","- C48 H63 Cl2 Fe N9 O8 -","- C48 H63 Cl2 Fe N9 O8 -","- C144 H189 Cl6 Fe3 N27 O24 -","3","0.333333","","Qin, Long-Fang; Pang, Chun-Yan; Han, Wang-Kang; Zhang, Feng-Li; Tian, Lei; Gu, Zhi-Guo; Ren, Xuehong; Li, Zaijun","Spin crossover properties of enantiomers, co-enantiomers, racemates, and co-racemates.","Dalton transactions (Cambridge, England : 2003)","2016","45","17","7340","7348","10.1039/c6dt00210b","","","0.71073","MoKα","","0.089","0.0623","","","0.1255","0.1467","","","","","","1.32","","","","has coordinates","182758","2020-10-21","18:00:00",""
"7038749","17.4496","0.0004","17.4496","0.0004","17.4496","0.0004","90","","90","","90","","5313.2","0.2","173","2","173","2","","","","","","","","6","P 21 3","P 2ac 2ab 3","198","","","","- C51 H69 Cl2 Fe N9 O8 -","- C51 H69 Cl2 Fe N9 O8 -","- C204 H276 Cl8 Fe4 N36 O32 -","4","0.333333","","Qin, Long-Fang; Pang, Chun-Yan; Han, Wang-Kang; Zhang, Feng-Li; Tian, Lei; Gu, Zhi-Guo; Ren, Xuehong; Li, Zaijun","Spin crossover properties of enantiomers, co-enantiomers, racemates, and co-racemates.","Dalton transactions (Cambridge, England : 2003)","2016","45","17","7340","7348","10.1039/c6dt00210b","","","0.71073","MoKα","","0.0868","0.0534","","","0.1377","0.1685","","","","","","1.07","","","","has coordinates","182758","2020-10-21","18:00:00",""
"7038750","17.467","0.002","17.467","0.002","17.467","0.002","90","","90","","90","","5329.1","1.1","173","2","173","2","","","","","","","","6","P 21 3","P 2ac 2ab 3","198","","","","- C51 H69 Cl2 Fe N9 O8 -","- C51 H69 Cl2 Fe N9 O8 -","- C204 H276 Cl8 Fe4 N36 O32 -","4","0.333333","","Qin, Long-Fang; Pang, Chun-Yan; Han, Wang-Kang; Zhang, Feng-Li; Tian, Lei; Gu, Zhi-Guo; Ren, Xuehong; Li, Zaijun","Spin crossover properties of enantiomers, co-enantiomers, racemates, and co-racemates.","Dalton transactions (Cambridge, England : 2003)","2016","45","17","7340","7348","10.1039/c6dt00210b","","","0.71073","MoKα","","0.062","0.0559","","","0.1525","0.1633","","","","","","0.82","","","","has coordinates","182758","2020-10-21","18:00:00",""
"7038751","21.3124","0.0016","11.3534","0.0007","22.9705","0.0018","90","","99.571","0.002","90","","5480.8","0.7","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C51.66 H71.8 Cl2 Fe N9.17 O8.83 -","- C51.66 H71.81 Cl2 Fe N9.17 O8.83 -","- C206.64 H287.24 Cl8 Fe4 N36.68 O35.32 -","4","1","","Qin, Long-Fang; Pang, Chun-Yan; Han, Wang-Kang; Zhang, Feng-Li; Tian, Lei; Gu, Zhi-Guo; Ren, Xuehong; Li, Zaijun","Spin crossover properties of enantiomers, co-enantiomers, racemates, and co-racemates.","Dalton transactions (Cambridge, England : 2003)","2016","45","17","7340","7348","10.1039/c6dt00210b","","","0.71073","MoKα","","0.1584","0.0792","","","0.1999","0.247","","","","","","1.076","","","","has coordinates,has disorder","182758","2020-10-21","18:00:00",""
"7038752","20.1676","0.0009","11.4224","0.0005","23.5837","0.0012","90","","99.917","0.002","90","","5351.6","0.4","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C51 H69 Cl2 Fe N9 O9 -","- C51 H69 Cl2 Fe N9 O9 -","- C204 H276 Cl8 Fe4 N36 O36 -","4","1","","Qin, Long-Fang; Pang, Chun-Yan; Han, Wang-Kang; Zhang, Feng-Li; Tian, Lei; Gu, Zhi-Guo; Ren, Xuehong; Li, Zaijun","Spin crossover properties of enantiomers, co-enantiomers, racemates, and co-racemates.","Dalton transactions (Cambridge, England : 2003)","2016","45","17","7340","7348","10.1039/c6dt00210b","","","0.71073","MoKα","","0.1142","0.0693","","","0.1917","0.2292","","","","","","1.146","","","","has coordinates,has disorder","182758","2020-10-21","18:00:00",""
"7038753","13.3549","0.0009","11.2578","0.0007","17.3499","0.0013","90","","97.499","0.003","90","","2586.2","0.3","173","2","173","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C49.36 H65.73 Cl2 Fe N9 O8 -","- C49.363 H65.726 Cl2 Fe N9 O8 -","- C98.726 H131.452 Cl4 Fe2 N18 O16 -","2","1","","Qin, Long-Fang; Pang, Chun-Yan; Han, Wang-Kang; Zhang, Feng-Li; Tian, Lei; Gu, Zhi-Guo; Ren, Xuehong; Li, Zaijun","Spin crossover properties of enantiomers, co-enantiomers, racemates, and co-racemates.","Dalton transactions (Cambridge, England : 2003)","2016","45","17","7340","7348","10.1039/c6dt00210b","","","0.71073","MoKα","","0.1259","0.0769","","","0.14","0.1608","","","","","","1.16","","","","has coordinates,has disorder","182758","2020-10-21","18:00:00",""
"7038754","13.3184","0.0007","11.2564","0.0006","17.3597","0.0009","90","","97.5679","0.0018","90","","2579.8","0.2","173","2","173","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C49.62 H66.25 Cl2 Fe N9 O8 -","- C49.625 H66.25 Cl2 Fe N9 O8 -","- C99.25 H132.5 Cl4 Fe2 N18 O16 -","2","1","","Qin, Long-Fang; Pang, Chun-Yan; Han, Wang-Kang; Zhang, Feng-Li; Tian, Lei; Gu, Zhi-Guo; Ren, Xuehong; Li, Zaijun","Spin crossover properties of enantiomers, co-enantiomers, racemates, and co-racemates.","Dalton transactions (Cambridge, England : 2003)","2016","45","17","7340","7348","10.1039/c6dt00210b","","","0.71073","MoKα","","0.0775","0.0504","","","0.093","0.1038","","","","","","1.026","","","","has coordinates,has disorder","182758","2020-10-21","18:00:00",""
"7038755","20.9379","0.0011","11.3072","0.0005","23.3512","0.0011","90","","99.493","0.002","90","","5452.7","0.5","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C51.1 H68.43 Cl2 Fe N9.78 O8 -","- C51.058 H68.358 Cl2 Fe N9.758 O8 -","- C204.232 H273.432 Cl8 Fe4 N39.032 O32 -","4","1","","Qin, Long-Fang; Pang, Chun-Yan; Han, Wang-Kang; Zhang, Feng-Li; Tian, Lei; Gu, Zhi-Guo; Ren, Xuehong; Li, Zaijun","Spin crossover properties of enantiomers, co-enantiomers, racemates, and co-racemates.","Dalton transactions (Cambridge, England : 2003)","2016","45","17","7340","7348","10.1039/c6dt00210b","","","0.71073","MoKα","","0.1676","0.0978","","","0.2713","0.3246","","","","","","1.292","","","","has coordinates,has disorder","182758","2020-10-21","18:00:00",""
"7038756","20.9361","0.0017","11.3411","0.0008","23.353","0.002","90","","99.474","0.003","90","","5469.3","0.8","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C50.9 H68.03 Cl2 Fe N9.77 O8 -","- C50.899 H68.024 Cl2 Fe N9.774 O8 -","- C203.596 H272.096 Cl8 Fe4 N39.096 O32 -","4","1","","Qin, Long-Fang; Pang, Chun-Yan; Han, Wang-Kang; Zhang, Feng-Li; Tian, Lei; Gu, Zhi-Guo; Ren, Xuehong; Li, Zaijun","Spin crossover properties of enantiomers, co-enantiomers, racemates, and co-racemates.","Dalton transactions (Cambridge, England : 2003)","2016","45","17","7340","7348","10.1039/c6dt00210b","","","0.71073","MoKα","","0.2112","0.105","","","0.2283","0.2599","","","","","","1.09","","","","has coordinates,has disorder","182758","2020-10-21","18:00:00",""
"7038757","20.1408","0.0017","18.6886","0.0016","27.306","0.002","90","","92.703","0.002","90","","10266.6","1.4","120","","120","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C81 H100 N7 Na Ni5 O28 Si10 -","- C81 H100 N7 Na Ni5 O28 Si10 -","- C324 H400 N28 Na4 Ni20 O112 Si40 -","4","1","","Bilyachenko, Alexey N.; Yalymov, Alexey I.; Korlyukov, Alexander A.; Long, Jérôme; Larionova, Joulia; Guari, Yannick; Vologzhanina, Anna V.; Es'kova, Marina A.; Shubina, Elena S.; Levitsky, Mikhail M.","Unusual penta- and hexanuclear Ni(ii)-based silsesquioxane polynuclear complexes.","Dalton transactions (Cambridge, England : 2003)","2016","45","17","7320","7327","10.1039/c6dt00113k","","","0.71073","MoKα","","0.063","0.045","","","0.1208","0.1303","","","","","","1.108","","","","has coordinates","182734","2020-10-21","18:00:00",""
"7038758","16.1899","0.0012","18.2778","0.0014","27.093","0.002","90","","101.513","0.002","90","","7855.9","1","120","","120","","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C138 H171 Cl N2 Na Ni6 O52 Si12 -","- C138 H171 Cl N2 Na Ni6 O52 Si12 -","- C276 H342 Cl2 N4 Na2 Ni12 O104 Si24 -","2","0.5","","Bilyachenko, Alexey N.; Yalymov, Alexey I.; Korlyukov, Alexander A.; Long, Jérôme; Larionova, Joulia; Guari, Yannick; Vologzhanina, Anna V.; Es'kova, Marina A.; Shubina, Elena S.; Levitsky, Mikhail M.","Unusual penta- and hexanuclear Ni(ii)-based silsesquioxane polynuclear complexes.","Dalton transactions (Cambridge, England : 2003)","2016","45","17","7320","7327","10.1039/c6dt00113k","","","0.71073","MoKα","","0.189","0.0831","","","0.1667","0.2105","","","","","","1.015","","","","has coordinates,has disorder","287753","2023-11-23","09:34:44",""
"7038759","16.134","0.002","16.134","0.002","4.5489","0.0014","90","","90","","90","","1184.1","0.4","289","2","289","2","","","","","","","","5","P -4","P -4","81","","","","- C14 H22 Cu3 O16 P4 -","- C14 H22 Cu3 O16 P4 -","- C28 H44 Cu6 O32 P8 -","2","0.5","","Hou, Xiaomin; Tang, Si-Fu","Speciation of metal phosphonates with the assistance of weak interactions.","Dalton transactions (Cambridge, England : 2003)","2016","45","17","7349","7359","10.1039/c6dt00643d","","","0.71073","MoKα","","0.0887","0.0564","","","0.1454","0.1643","","","","","","1.008","","","","has coordinates,has disorder","182737","2020-10-21","18:00:00",""
"7038760","14.7117","0.0019","9.0337","0.0011","13.859","0.0016","90","","90","","90","","1841.9","0.4","296","2","296","2","","","","","","","","6","P n n m","-P 2 2n","58","","","","- C11 H20 Cu N2 O10 P2 -","- C11 H20 Cu N2 O10 P2 -","- C44 H80 Cu4 N8 O40 P8 -","4","0.5","","Hou, Xiaomin; Tang, Si-Fu","Speciation of metal phosphonates with the assistance of weak interactions.","Dalton transactions (Cambridge, England : 2003)","2016","45","17","7349","7359","10.1039/c6dt00643d","","","0.71073","MoKα","","0.0709","0.0429","","","0.1076","0.1262","","","","","","0.95","","","","has coordinates","182737","2020-10-21","18:00:00",""
"7038761","8.539","0.005","8.948","0.005","12.706","0.008","95.02","0.011","107.86","0.01","103.549","0.01","884.9","0.9","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C17 H16 Cu N2 O6 P2 -","- C17 H16 Cu N2 O6 P2 -","- C34 H32 Cu2 N4 O12 P4 -","2","1","","Hou, Xiaomin; Tang, Si-Fu","Speciation of metal phosphonates with the assistance of weak interactions.","Dalton transactions (Cambridge, England : 2003)","2016","45","17","7349","7359","10.1039/c6dt00643d","","","0.71073","MoKα","","0.0403","0.033","","","0.0808","0.0836","","","","","","1.051","","","","has coordinates","182737","2020-10-21","18:00:00",""
"7038762","9.054","0.004","11.097","0.005","11.481","0.005","90","","113.25","0.03","90","","1059.8","0.8","293","2","293","2","","","","","","","","6","P 1 2/c 1","-P 2yc","13","","","","- C17 H20 Cu N2 O8 P2 -","- C17 H20 Cu N2 O8 P2 -","- C34 H40 Cu2 N4 O16 P4 -","2","0.5","","Hou, Xiaomin; Tang, Si-Fu","Speciation of metal phosphonates with the assistance of weak interactions.","Dalton transactions (Cambridge, England : 2003)","2016","45","17","7349","7359","10.1039/c6dt00643d","","","0.71073","MoKα","","0.0594","0.0377","","","0.0813","0.0888","","","","","","1.048","","","","has coordinates,has disorder","182737","2020-10-21","18:00:00",""
"7038763","8.6253","0.0011","9.2656","0.0012","12.16","0.0015","93.404","0.002","107.127","0.002","102.703","0.002","897.9","0.2","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C17 H16 N2 O6 P2 Zn -","- C17 H16 N2 O6 P2 Zn -","- C34 H32 N4 O12 P4 Zn2 -","2","1","","Hou, Xiaomin; Tang, Si-Fu","Speciation of metal phosphonates with the assistance of weak interactions.","Dalton transactions (Cambridge, England : 2003)","2016","45","17","7349","7359","10.1039/c6dt00643d","","","0.71073","MoKα","","0.0559","0.038","","","0.0815","0.0887","","","","","","1.023","","","","has coordinates","182737","2020-10-21","18:00:00",""
"7038764","14.324","0.0017","21.707","0.002","16.2613","0.0018","90","","90","","90","","5056.1","0.9","296","2","296","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C17 H30 Cd N2 O13 P2 -","- C17 H30 Cd N2 O13 P2 -","- C136 H240 Cd8 N16 O104 P16 -","8","1","","Hou, Xiaomin; Tang, Si-Fu","Speciation of metal phosphonates with the assistance of weak interactions.","Dalton transactions (Cambridge, England : 2003)","2016","45","17","7349","7359","10.1039/c6dt00643d","","","0.71073","MoKα","","0.1308","0.0458","","","0.0975","0.1175","","","","","","0.885","","","","has coordinates","182737","2020-10-21","18:00:00",""
"7038765","7.3234","0.0013","18.776","0.003","13.938","0.002","90","","90.253","0.004","90","","1916.5","0.5","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C18 H16 F6 N3 Ni P S -","- C18 H16 F6 N3 Ni P S -","- C72 H64 F24 N12 Ni4 P4 S4 -","4","1","","Teo, Wei Jie; Wang, Zhe; Xue, Fei; Andy Hor, T. S.; Zhao, Jin","Cyclopentadienyl nickel(ii) N,C-chelating benzothiazolyl NHC complexes: synthesis, characterization and application in catalytic C-C bond formation reactions.","Dalton transactions (Cambridge, England : 2003)","2016","45","17","7312","7319","10.1039/c6dt00252h","","","0.71073","MoKα","","0.0469","0.0397","","","0.0947","0.0985","","","","","","1.033","","","","has coordinates","182741","2020-10-21","18:00:00",""
"7038766","10.8112","0.0012","13.5233","0.0015","30.106","0.003","90","","90","","90","","4401.6","0.8","100","2","100","2","","","","","","","","7","P b c n","-P 2n 2ab","60","","","","- C22 H18 F6 N3 Ni P S -","- C22 H18 F6 N3 Ni P S -","- C176 H144 F48 N24 Ni8 P8 S8 -","8","1","","Teo, Wei Jie; Wang, Zhe; Xue, Fei; Andy Hor, T. S.; Zhao, Jin","Cyclopentadienyl nickel(ii) N,C-chelating benzothiazolyl NHC complexes: synthesis, characterization and application in catalytic C-C bond formation reactions.","Dalton transactions (Cambridge, England : 2003)","2016","45","17","7312","7319","10.1039/c6dt00252h","","","0.71073","MoKα","","0.0538","0.0459","","","0.1063","0.1104","","","","","","1.085","","","","has coordinates","182741","2020-10-21","18:00:00",""
"7038767","14.8278","0.0007","6.9438","0.0004","17.7673","0.0009","90","","90","","90","","1829.34","0.16","100","2","100","2","","","","","","","","7","P n m a","-P 2ac 2n","62","","","","- C16 H14 F6 N3 Ni P S -","- C16 H14 F6 N3 Ni P S -","- C64 H56 F24 N12 Ni4 P4 S4 -","4","0.5","","Teo, Wei Jie; Wang, Zhe; Xue, Fei; Andy Hor, T. S.; Zhao, Jin","Cyclopentadienyl nickel(ii) N,C-chelating benzothiazolyl NHC complexes: synthesis, characterization and application in catalytic C-C bond formation reactions.","Dalton transactions (Cambridge, England : 2003)","2016","45","17","7312","7319","10.1039/c6dt00252h","","","0.71073","MoKα","","0.0437","0.0284","","","0.0601","0.0645","","","","","","1.048","","","","has coordinates","182741","2020-10-21","18:00:00",""
"7038768","11.212","0.0003","17.6716","0.0005","20.9835","0.0006","90","","90","","90","","4157.5","0.2","296","2","296","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C44 H30 F6 Ir N7 O2 P2 -","- C44 H30 F6 Ir N7 O2 P2 -","- C176 H120 F24 Ir4 N28 O8 P8 -","4","1","","Xu, Qiu-Lei; Liang, Xiao; Jiang, Liang; Zhao, Yue; Zheng, You-Xuan","Crystal structure, photoluminescence and electroluminescence of three bluish green light-emitting iridium complexes.","Dalton transactions (Cambridge, England : 2003)","2016","45","17","7366","7372","10.1039/c6dt00518g","","","0.71073","MoKα","","0.0549","0.0531","","","0.1514","0.153","","","","","","1.048","","","","has coordinates","182751","2020-10-21","18:00:00",""
"7038769","13.72","0.004","15.939","0.005","19.972","0.006","70.578","0.007","78.928","0.007","70.749","0.007","3872","2","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C87 H75 N7 O3 -","- C87 H75 N7 O3 -","- C174 H150 N14 O6 -","2","1","","Zhao, Jie; Yang, Dong; Zhao, Yanxia; Cao, Liping; Zhang, Zhibin; Yang, Xiao-Juan; Wu, Biao","Phosphate-induced fluorescence of a tetraphenylethene-substituted tripodal tris(urea) receptor.","Dalton transactions (Cambridge, England : 2003)","2016","45","17","7360","7365","10.1039/c6dt00672h","","","0.71073","MoKα","","0.19","0.0829","","","0.1656","0.1891","","","","","","1.022","","","","has coordinates","182760","2020-10-21","18:00:00",""
"7038770","23.826","0.005","14.975","0.003","26.604","0.005","90","","111.883","0.002","90","","8808","3","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C100 H105 Cl3 N8 O4 -","- C100 H105 Cl3 N8 O4 -","- C400 H420 Cl12 N32 O16 -","4","1","","Zhao, Jie; Yang, Dong; Zhao, Yanxia; Cao, Liping; Zhang, Zhibin; Yang, Xiao-Juan; Wu, Biao","Phosphate-induced fluorescence of a tetraphenylethene-substituted tripodal tris(urea) receptor.","Dalton transactions (Cambridge, England : 2003)","2016","45","17","7360","7365","10.1039/c6dt00672h","","","0.71073","MoKα","","0.1295","0.0875","","","0.2269","0.2614","","","","","","1.183","","","","has coordinates","182760","2020-10-21","18:00:00",""
"7038771","17.001","0.003","17.176","0.003","18.944","0.004","82.554","0.003","84.382","0.003","84.457","0.003","5439.1","1.8","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C110 H132 N10 O9 P -","- C110 H126 N10 O9 P -","- C220 H252 N20 O18 P2 -","2","1","","Zhao, Jie; Yang, Dong; Zhao, Yanxia; Cao, Liping; Zhang, Zhibin; Yang, Xiao-Juan; Wu, Biao","Phosphate-induced fluorescence of a tetraphenylethene-substituted tripodal tris(urea) receptor.","Dalton transactions (Cambridge, England : 2003)","2016","45","17","7360","7365","10.1039/c6dt00672h","","","0.71073","MoKα","","0.1874","0.1249","","","0.2484","0.2721","","","","","","1.142","","","","has coordinates","182760","2020-10-21","18:00:00",""
"7038772","20.589","0.003","20.589","0.003","34.721","0.005","90","","90","","120","","12747","3","100","2","100","2","","","","","","","","7","P 63/m","-P 6c","176","","","","- C76 H80 Cl2 F8 Ir2 N6 O2 -","- C76 H80 Cl2 F8 Ir2 N6 O2 -","- C456 H480 Cl12 F48 Ir12 N36 O12 -","6","0.5","","Daniels, Ruth E.; Culham, Stacey; Hunter, Michael; Durrant, Marcus C.; Probert, Michael R.; Clegg, William; Williams, J. A. Gareth; Kozhevnikov, Valery N.","When two are better than one: bright phosphorescence from non-stereogenic dinuclear iridium(iii) complexes.","Dalton transactions (Cambridge, England : 2003)","2016","45","16","6949","6962","10.1039/c6dt00881j","","","0.6889","synchrotron","","0.0839","0.0566","","","0.1098","0.1266","","","","","","1.169","","","","has coordinates,has disorder","182708","2020-10-21","18:00:00",""
"7038773","10.1178","0.0004","26.4901","0.0007","13.3948","0.0005","90","","101.003","0.003","90","","3524.1","0.2","293","2","293","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C26 H32 Cu La N10 O11 W -","- C26 H20 Cu La N10 O11 W -","- C104 H80 Cu4 La4 N40 O44 W4 -","4","1","","Visinescu, Diana; Alexandru, Maria-Gabriela; Madalan, Augustin M.; Jeon, Ie-Rang; Mathonière, Corine; Clérac, Rodolphe; Andruh, Marius","A new family of [Cu(II)Ln(III)M(V)] heterotrimetallic complexes (Ln = La, Gd, Tb; M = Mo, W): model systems to probe exchange interactions and single-molecule magnet properties.","Dalton transactions (Cambridge, England : 2003)","2016","45","18","7642","7649","10.1039/c6dt00614k","","","0.71073","MoKα","","0.0464","0.0353","","","0.08","0.0833","","","","","","0.978","","","","has coordinates","182663","2020-10-21","18:00:00",""
"7038774","10.0079","0.0002","26.4378","0.0008","13.3118","0.0003","90","","100.978","0.002","90","","3457.67","0.15","293","2","293","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C26 H32 Cu Gd Mo N10 O11 -","- C26 H32 Cu Gd Mo N10 O11 -","- C104 H128 Cu4 Gd4 Mo4 N40 O44 -","4","1","","Visinescu, Diana; Alexandru, Maria-Gabriela; Madalan, Augustin M.; Jeon, Ie-Rang; Mathonière, Corine; Clérac, Rodolphe; Andruh, Marius","A new family of [Cu(II)Ln(III)M(V)] heterotrimetallic complexes (Ln = La, Gd, Tb; M = Mo, W): model systems to probe exchange interactions and single-molecule magnet properties.","Dalton transactions (Cambridge, England : 2003)","2016","45","18","7642","7649","10.1039/c6dt00614k","","","0.71073","MoKα","","0.0322","0.0232","","","0.0455","0.0475","","","","","","1.031","","","","has coordinates","182663","2020-10-21","18:00:00",""
"7038775","9.9817","0.0004","26.4214","0.0007","13.3202","0.0005","90","","100.966","0.003","90","","3448.8","0.2","293","2","293","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C26 H32 Cu Mo N10 O11 Tb -","- C26 H32 Cu Mo N10 O11 Tb -","- C104 H128 Cu4 Mo4 N40 O44 Tb4 -","4","1","","Visinescu, Diana; Alexandru, Maria-Gabriela; Madalan, Augustin M.; Jeon, Ie-Rang; Mathonière, Corine; Clérac, Rodolphe; Andruh, Marius","A new family of [Cu(II)Ln(III)M(V)] heterotrimetallic complexes (Ln = La, Gd, Tb; M = Mo, W): model systems to probe exchange interactions and single-molecule magnet properties.","Dalton transactions (Cambridge, England : 2003)","2016","45","18","7642","7649","10.1039/c6dt00614k","","","0.71073","MoKα","","0.0433","0.0305","","","0.0545","0.0571","","","","","","1.006","","","","has coordinates","182663","2020-10-21","18:00:00",""
"7038776","13.8972","0.0005","13.8972","0.0005","16.3109","0.0005","90","","90","","120","","2728.12","0.16","298","2","298","2","","","","","","","","7","P -3","-P 3","147","","","","- C50 H36 F18 Fe N O S4 -","- C49.98 H35.94 F18 Fe N O S3.9999 -","- C99.96 H71.88 F36 Fe2 N2 O2 S7.9998 -","2","0.333333","","Mondragón, Alexander; Martínez-Alanis, Paulina R; Aullón, Gabriel; Hernández-Ortega, Simón; Robles-Marín, Elvis; Flores-Alamo, Marcos; Ugalde-Saldívar, Víctor M; Castillo, Ivan","Redox flexibility of iron complexes supported by sulfur-based tris(o-methylenethiophenolato)amine relative to its tripodal oxygen-based congener.","Dalton transactions (Cambridge, England : 2003)","2016","45","24","9996","10006","10.1039/c6dt00814c","","","0.71073","MoKα","","0.0634","0.049","","","0.1179","0.1281","","","","","","1.039","","","","has coordinates,has disorder","185374","2020-10-21","18:00:00",""
"7038777","14.0497","0.0009","14.0497","0.0009","16.3511","0.0011","90","","90","","120","","2795.2","0.3","298","2","298","2","","","","","","","","7","P -3","-P 3","147","","","","- C52 H38 F18 Fe N O S3 -","- C52.002 H38.004 F18 Fe N O S3 -","- C104.004 H76.008 F36 Fe2 N2 O2 S6 -","2","0.333333","","Mondragón, Alexander; Martínez-Alanis, Paulina R; Aullón, Gabriel; Hernández-Ortega, Simón; Robles-Marín, Elvis; Flores-Alamo, Marcos; Ugalde-Saldívar, Víctor M; Castillo, Ivan","Redox flexibility of iron complexes supported by sulfur-based tris(o-methylenethiophenolato)amine relative to its tripodal oxygen-based congener.","Dalton transactions (Cambridge, England : 2003)","2016","45","24","9996","10006","10.1039/c6dt00814c","","","0.71073","MoKα","","0.061","0.0481","","","0.1255","0.1377","","","","","","1.045","","","","has coordinates,has disorder","185374","2020-10-21","18:00:00",""
"7038778","14.3142","0.0011","14.3683","0.0009","16.5139","0.0016","65.449","0.008","66.267","0.008","61.594","0.007","2626.9","0.4","130","2","130","2","","","","","","","","6","P -1","-P 1","2","","","","- C48 H32 F18 Fe N O4 -","- C48 H32 F18 Fe N O4 -","- C96 H64 F36 Fe2 N2 O8 -","2","1","","Mondragón, Alexander; Martínez-Alanis, Paulina R; Aullón, Gabriel; Hernández-Ortega, Simón; Robles-Marín, Elvis; Flores-Alamo, Marcos; Ugalde-Saldívar, Víctor M; Castillo, Ivan","Redox flexibility of iron complexes supported by sulfur-based tris(o-methylenethiophenolato)amine relative to its tripodal oxygen-based congener.","Dalton transactions (Cambridge, England : 2003)","2016","45","24","9996","10006","10.1039/c6dt00814c","","","0.71073","MoKα","","0.179","0.129","","","0.3601","0.398","","","","","","1.176","","","","has coordinates","185374","2020-10-21","18:00:00",""
"7038779","11.4154","0.0006","12.6234","0.0005","15.328","0.0008","66.945","0.004","85.853","0.004","71.589","0.004","1925","0.18","100","0.1","100","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C39 H44 Cl N2 Ni0.5 -","- C39 H44 Cl N2 Ni0.5 -","- C78 H88 Cl2 N4 Ni -","2","1","","Vijaykumar, Gonela; Mandal, Swadhin K.","An abnormal N-heterocyclic carbene based nickel complex for catalytic reduction of nitroarenes.","Dalton transactions (Cambridge, England : 2003)","2016","45","17","7421","7426","10.1039/c6dt00470a","","x-ray","0.71073","MoKα","","0.0504","0.0435","","","0.1159","0.1204","","","","","","1.051","","","","has coordinates","182736","2020-10-21","18:00:00",""
"7038780","12.2994","0.0002","12.9115","0.0002","24.6602","0.0005","90","","91.954","0.001","90","","3913.85","0.12","223","2","223","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C43 H39 B F10 N P -","- C43 H39 B F10 N P -","- C172 H156 B4 F40 N4 P4 -","4","1","","Chen, Guo-Qiang; Kehr, Gerald; Daniliuc, Constantin G.; Erker, Gerhard","Nitro-redox reactions at a frustrated borane/phosphane Lewis pair.","Dalton transactions (Cambridge, England : 2003)","2016","45","16","6820","6823","10.1039/c6dt00857g","","","0.71073","MoKα","","0.0891","0.0648","","","0.1179","0.1324","","","","","","1.08","","","","has coordinates","182717","2020-10-21","18:00:00",""
"7038781","11.5431","0.0004","11.9456","0.0004","19.9373","0.0007","97.086","0.001","106.34","0.001","105.771","0.001","2478.64","0.15","102","2","102","2","","","","","","","","8","P -1","-P 1","2","","","","- C49 H44 B Cl4 F10 N2 O2 P -","- C49 H44 B Cl4 F10 N2 O2 P -","- C98 H88 B2 Cl8 F20 N4 O4 P2 -","2","1","","Chen, Guo-Qiang; Kehr, Gerald; Daniliuc, Constantin G.; Erker, Gerhard","Nitro-redox reactions at a frustrated borane/phosphane Lewis pair.","Dalton transactions (Cambridge, England : 2003)","2016","45","16","6820","6823","10.1039/c6dt00857g","","","0.71073","MoKα","","0.0618","0.0462","","","0.1135","0.121","","","","","","1.039","","","","has coordinates,has disorder","182717","2020-10-21","18:00:00",""
"7038782","13.2257","0.0003","13.5489","0.0006","13.5621","0.0004","72.298","0.001","69.121","0.002","72.966","0.001","2116.13","0.13","223","2","223","2","","","","","","","","7","P -1","-P 1","2","","","","- C46 H47 B F10 N O2 P -","- C46 H47 B F10 N O2 P -","- C92 H94 B2 F20 N2 O4 P2 -","2","1","","Chen, Guo-Qiang; Kehr, Gerald; Daniliuc, Constantin G.; Erker, Gerhard","Nitro-redox reactions at a frustrated borane/phosphane Lewis pair.","Dalton transactions (Cambridge, England : 2003)","2016","45","16","6820","6823","10.1039/c6dt00857g","","","0.71073","MoKα","","0.1237","0.0861","","","0.1734","0.2047","","","","","","1.06","","","","has coordinates,has disorder","182717","2020-10-21","18:00:00",""
"7038783","12.0754","0.0008","14.3703","0.0009","18.9938","0.0013","77.355","0.004","73.434","0.004","85.944","0.004","3082.4","0.4","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C31 H31 B F10 N O2 P -","- C31 H31 B F10 N O2 P -","- C124 H124 B4 F40 N4 O8 P4 -","4","2","","Chen, Guo-Qiang; Kehr, Gerald; Daniliuc, Constantin G.; Erker, Gerhard","Nitro-redox reactions at a frustrated borane/phosphane Lewis pair.","Dalton transactions (Cambridge, England : 2003)","2016","45","16","6820","6823","10.1039/c6dt00857g","","","1.54178","CuKα","","0.0816","0.0526","","","0.1129","0.1257","","","","","","1.037","","","","has coordinates,has disorder","182717","2020-10-21","18:00:00",""
"7038784","14.2252","0.0008","21.5455","0.0012","15.6095","0.001","90","","112.746","0.002","90","","4412.1","0.5","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C43 H37 B F10 N O2 P -","- C43 H37 B F10 N O2 P -","- C172 H148 B4 F40 N4 O8 P4 -","4","1","","Chen, Guo-Qiang; Kehr, Gerald; Daniliuc, Constantin G.; Erker, Gerhard","Nitro-redox reactions at a frustrated borane/phosphane Lewis pair.","Dalton transactions (Cambridge, England : 2003)","2016","45","16","6820","6823","10.1039/c6dt00857g","","","0.71073","MoKα","","0.0789","0.0625","","","0.1602","0.1695","","","","","","1.07","","","","has coordinates,has disorder","182717","2020-10-21","18:00:00",""
"7038785","9.9433","0.0004","24.041","0.0009","15.8819","0.0006","90","","91.8887","0.0014","90","","3794.5","0.3","120","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C50 H44 Ir N P2 -","- C50 H44 Ir N P2 -","- C200 H176 Ir4 N4 P8 -","4","1","","Cui, Peng; Babbini, Dominic C.; Iluc, Vlad M.","C-H activation of ethers by pyridine tethered PCsp3P-type iridium complexes.","Dalton transactions (Cambridge, England : 2003)","2016","45","24","10007","10016","10.1039/c6dt00303f","","","0.71073","MoKα","","0.0175","0.0149","","","0.0326","0.0332","","","","","","1.049","","","","has coordinates","185379","2020-10-21","18:00:00",""
"7038786","42.263","0.0017","9.1164","0.0004","18.875","0.0007","90","","92.105","0.003","90","","7267.4","0.5","120","2","120","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C46 H40 Ir N O P2 -","- C46 H40 Ir N O P2 -","- C368 H320 Ir8 N8 O8 P16 -","8","1","","Cui, Peng; Babbini, Dominic C.; Iluc, Vlad M.","C-H activation of ethers by pyridine tethered PCsp3P-type iridium complexes.","Dalton transactions (Cambridge, England : 2003)","2016","45","24","10007","10016","10.1039/c6dt00303f","","","0.71073","MoKα","","0.0393","0.0296","","","0.0608","0.0635","","","","","","1.052","","","","has coordinates,has disorder","185379","2020-10-21","18:00:00",""
"7038787","17.28","0.003","14.146","0.002","18.792","0.003","90","","104.829","0.002","90","","4440.6","1.2","120","2","120","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C47 H44 Ir N O P2 -","- C47 H44 Ir N O P2 -","- C188 H176 Ir4 N4 O4 P8 -","4","1","","Cui, Peng; Babbini, Dominic C.; Iluc, Vlad M.","C-H activation of ethers by pyridine tethered PCsp3P-type iridium complexes.","Dalton transactions (Cambridge, England : 2003)","2016","45","24","10007","10016","10.1039/c6dt00303f","","","0.71073","MoKα","","0.0493","0.0315","","","0.0676","0.0723","","","","","","1.047","","","","has coordinates","185379","2020-10-21","18:00:00",""
"7038788","10.4635","0.001","13.3359","0.0012","15.8836","0.0015","77.71","0.002","80.875","0.003","85.402","0.002","2135.7","0.3","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","","","- C54 H46 Ir N O P2 -","- C54 H46 Ir N O P2 -","- C108 H92 Ir2 N2 O2 P4 -","2","1","","Cui, Peng; Babbini, Dominic C.; Iluc, Vlad M.","C-H activation of ethers by pyridine tethered PCsp3P-type iridium complexes.","Dalton transactions (Cambridge, England : 2003)","2016","45","24","10007","10016","10.1039/c6dt00303f","","","0.71073","MoKα","","0.0635","0.0436","","","0.0868","0.0919","","","","","","0.981","","","","has coordinates,has disorder","185379","2020-10-21","18:00:00",""
"7038789","14.7846","0.0014","11.3421","0.0011","26.747","0.002","90","","94.783","0.009","90","","4469.5","0.7","170","2","170","2","","","","","","","","7","P 1 21 1","P 2yb","4","tacnthiazCu","no2thCu","","- C14 H20 Cl2 Cu N5 O8 S2 -","- C14 H20 Cl2 Cu N5 O8 S2 -","- C112 H160 Cl16 Cu8 N40 O64 S16 -","8","4","","Le Fur, Mariane; Beyler, Maryline; Le Poul, Nicolas; Lima, Luís M P; Le Mest, Yves; Delgado, Rita; Platas-Iglesias, Carlos; Patinec, Véronique; Tripier, Raphaël","Improving the stability and inertness of Cu(ii) and Cu(i) complexes with methylthiazolyl ligands by tuning the macrocyclic structure.","Dalton transactions (Cambridge, England : 2003)","2016","45","17","7406","7420","10.1039/c6dt00385k","","x-ray","0.71073","MoKα","","0.1627","0.0526","","","0.0897","0.1176","","","","","","0.79","","","","has coordinates,has disorder","288505","2023-12-22","15:12:03",""
"7038790","9.189","0.0003","10.7795","0.0003","22.5102","0.0007","90","","93.131","0.003","90","","2226.37","0.12","297","2","297","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C14 H21 Cl2 N5 O8 S2 Zn -","- C14 H21 Cl2 N5 O8 S2 Zn -","- C56 H84 Cl8 N20 O32 S8 Zn4 -","4","1","","Le Fur, Mariane; Beyler, Maryline; Le Poul, Nicolas; Lima, Luís M P; Le Mest, Yves; Delgado, Rita; Platas-Iglesias, Carlos; Patinec, Véronique; Tripier, Raphaël","Improving the stability and inertness of Cu(ii) and Cu(i) complexes with methylthiazolyl ligands by tuning the macrocyclic structure.","Dalton transactions (Cambridge, England : 2003)","2016","45","17","7406","7420","10.1039/c6dt00385k","","x-ray","0.71073","MoKα","","0.0605","0.0476","","","0.136","0.1423","","","","","","1.066","","","","has coordinates","288505","2023-12-22","15:12:03",""
"7038791","14.7846","0.0014","11.3421","0.0011","26.747","0.002","90","","94.783","0.009","90","","4469.5","0.7","297","2","297","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C14 H21 Cl2 Cu N5 O8 S2 -","- C14 H21 Cl2 Cu N5 O8 S2 -","- C112 H168 Cl16 Cu8 N40 O64 S16 -","8","2","","Le Fur, Mariane; Beyler, Maryline; Le Poul, Nicolas; Lima, Luís M P; Le Mest, Yves; Delgado, Rita; Platas-Iglesias, Carlos; Patinec, Véronique; Tripier, Raphaël","Improving the stability and inertness of Cu(ii) and Cu(i) complexes with methylthiazolyl ligands by tuning the macrocyclic structure.","Dalton transactions (Cambridge, England : 2003)","2016","45","17","7406","7420","10.1039/c6dt00385k","","x-ray","0.71073","MoKα","","0.213","0.0694","","","0.1623","0.2128","","","","","","0.938","","","","has coordinates,has disorder","288505","2023-12-22","15:12:03",""
"7038792","14.6589","0.0005","9.9797","0.0004","12.7245","0.0004","90","","108.155","0.003","90","","1768.82","0.11","170","2","170","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C14 H24 Cl N5 O S2 -","- C14 H24 Cl N5 O S2 -","- C56 H96 Cl4 N20 O4 S8 -","4","1","","Le Fur, Mariane; Beyler, Maryline; Le Poul, Nicolas; Lima, Luís M P; Le Mest, Yves; Delgado, Rita; Platas-Iglesias, Carlos; Patinec, Véronique; Tripier, Raphaël","Improving the stability and inertness of Cu(ii) and Cu(i) complexes with methylthiazolyl ligands by tuning the macrocyclic structure.","Dalton transactions (Cambridge, England : 2003)","2016","45","17","7406","7420","10.1039/c6dt00385k","","x-ray","0.71073","MoKα","","0.0713","0.0488","","","0.1092","0.126","","","","","","1.03","","","","has coordinates","288505","2023-12-22","15:12:03",""
"7038793","13.302","0.003","15.181","0.003","22.663","0.005","99.59","0.03","98.88","0.03","99.85","0.03","4366.6","1.8","150","2","150","","","","","","","","","9","P -1","-P 1","2","","","","- C92 H101 Cl Li N4 O5 P4 Pt Y -","- C92 H101 Cl Li N4 O5 P4 Pt Y -","- C184 H202 Cl2 Li2 N8 O10 P8 Pt2 Y2 -","2","1","","Völcker, Franziska; Roesky, Peter W.","Bimetallic rare-earth/platinum complexes ligated by phosphinoamides.","Dalton transactions (Cambridge, England : 2003)","2016","45","23","9429","9435","10.1039/c6dt00417b","","","0.71073","MoKα","","0.0451","0.0368","","","0.0918","0.0947","","","","","","0.988","","","","has coordinates,has disorder","185514","2020-10-21","18:00:00",""
"7038794","13.388","0.003","15.201","0.003","22.573","0.005","99.85","0.03","98.77","0.03","97.53","0.03","4414.6","1.8","210","2","210","","","","","","","","","9","P -1","-P 1","2","","","","- C99 H109 Cl Li Lu N4 O5 P4 Pt -","- C99 H109 Cl Li Lu N4 O5 P4 Pt -","- C198 H218 Cl2 Li2 Lu2 N8 O10 P8 Pt2 -","2","1","","Völcker, Franziska; Roesky, Peter W.","Bimetallic rare-earth/platinum complexes ligated by phosphinoamides.","Dalton transactions (Cambridge, England : 2003)","2016","45","23","9429","9435","10.1039/c6dt00417b","","","0.71073","MoKα","","0.13","0.0469","","","0.0629","0.0763","","","","","","0.649","","","","has coordinates,has disorder","185514","2020-10-21","18:00:00",""
"7038795","23.628","0.005","14.886","0.003","28.196","0.006","90","","107.47","0.03","90","","9460","4","209","","209","","","","","","","","","8","C 1 c 1","C -2yc","9","","","","- C106 H108 Li N5 O4 P5 Pt Y -","- C106 H108 Li N5 O4 P5 Pt Y -","- C424 H432 Li4 N20 O16 P20 Pt4 Y4 -","4","1","","Völcker, Franziska; Roesky, Peter W.","Bimetallic rare-earth/platinum complexes ligated by phosphinoamides.","Dalton transactions (Cambridge, England : 2003)","2016","45","23","9429","9435","10.1039/c6dt00417b","","","0.71073","MoKα","","0.1064","0.0639","","","0.1085","0.1212","","","","","","0.864","","","","has coordinates,has disorder","185514","2020-10-21","18:00:00",""
"7038796","17.4907","0.0012","16.8895","0.001","36.622","0.002","90","","91.261","0.003","90","","10815.9","1.1","110","2","110","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C50 H96 Cl2 O2 Os P2 -","- C50 H96 Cl2 O2 Os P2 -","- C400 H768 Cl16 O16 Os8 P16 -","8","2","","Fiedler, Tobias; Bhuvanesh, Nattamai; Hampel, Frank; Reibenspies, Joseph H.; Gladysz, John A.","Gyroscope like molecules consisting of trigonal or square planar osmium rotators within three-spoked dibridgehead diphosphine stators: syntheses, substitution reactions, structures, and dynamic properties.","Dalton transactions (Cambridge, England : 2003)","2016","45","16","7131","7147","10.1039/c6dt00692b","","","1.54178","CuKα","","0.0893","0.0624","","","0.1488","0.1642","","","","","","1.024","","","","has coordinates,has disorder","182722","2020-10-21","18:00:00",""
"7038797","14.6538","0.0015","15.702","0.0016","26.92","0.003","90","","105.272","0.001","90","","5975.4","1.1","110","2","110","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C56 H108 Cl2 O2 Os P2 -","- C56 H108 Cl2 O2 Os P2 -","- C224 H432 Cl8 O8 Os4 P8 -","4","1","","Fiedler, Tobias; Bhuvanesh, Nattamai; Hampel, Frank; Reibenspies, Joseph H.; Gladysz, John A.","Gyroscope like molecules consisting of trigonal or square planar osmium rotators within three-spoked dibridgehead diphosphine stators: syntheses, substitution reactions, structures, and dynamic properties.","Dalton transactions (Cambridge, England : 2003)","2016","45","16","7131","7147","10.1039/c6dt00692b","","","0.71073","MoKα","","0.0423","0.0288","","","0.0637","0.068","","","","","","1.029","","","","has coordinates,has disorder","182722","2020-10-21","18:00:00",""
"7038798","12.1297","0.0014","20.476","0.002","20.998","0.002","89.659","0.001","73.211","0.001","72.808","0.001","4751.8","0.9","110","2","110","2","","","","","","","","6","P -1","-P 1","2","","","","- C44 H84 Br2 O2 Os P2 -","- C44 H84 Br2 O2 Os P2 -","- C176 H336 Br8 O8 Os4 P8 -","4","2","","Fiedler, Tobias; Bhuvanesh, Nattamai; Hampel, Frank; Reibenspies, Joseph H.; Gladysz, John A.","Gyroscope like molecules consisting of trigonal or square planar osmium rotators within three-spoked dibridgehead diphosphine stators: syntheses, substitution reactions, structures, and dynamic properties.","Dalton transactions (Cambridge, England : 2003)","2016","45","16","7131","7147","10.1039/c6dt00692b","","","0.71073","MoKα","","0.0985","0.0845","","","0.2209","0.2291","","","","","","1.034","","","","has coordinates","182722","2020-10-21","18:00:00",""
"7038799","16.9141","0.0007","16.9141","0.0007","19.2307","0.0011","90","","90","","90","","5501.6","0.5","110","2","110","2","","","","","","","","6","P 41","P 4w","76","","","","- C50 H96 Br2 O2 Os P2 -","- C50 H96 Br2 O2 Os P2 -","- C200 H384 Br8 O8 Os4 P8 -","4","1","","Fiedler, Tobias; Bhuvanesh, Nattamai; Hampel, Frank; Reibenspies, Joseph H.; Gladysz, John A.","Gyroscope like molecules consisting of trigonal or square planar osmium rotators within three-spoked dibridgehead diphosphine stators: syntheses, substitution reactions, structures, and dynamic properties.","Dalton transactions (Cambridge, England : 2003)","2016","45","16","7131","7147","10.1039/c6dt00692b","","","0.71073","MoKα","","0.0529","0.0407","","","0.0989","0.1076","","","","","","1.036","","","","has coordinates","182722","2020-10-21","18:00:00",""
"7038800","14.087","0.005","14.893","0.006","16.063","0.006","87.847","0.007","68.832","0.006","73.272","0.006","3001","2","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C56 H108 Br2 O2 Os P2 -","- C56 H108 Br2 O2 Os P2 -","- C112 H216 Br4 O4 Os2 P4 -","2","1","","Fiedler, Tobias; Bhuvanesh, Nattamai; Hampel, Frank; Reibenspies, Joseph H.; Gladysz, John A.","Gyroscope like molecules consisting of trigonal or square planar osmium rotators within three-spoked dibridgehead diphosphine stators: syntheses, substitution reactions, structures, and dynamic properties.","Dalton transactions (Cambridge, England : 2003)","2016","45","16","7131","7147","10.1039/c6dt00692b","","","0.71073","MoKα","","0.0543","0.0374","","","0.0854","0.0923","","","","","","1.094","","","","has coordinates","182722","2020-10-21","18:00:00",""
"7038801","21.6848","0.0005","14.0336","0.0002","18.2091","0.0004","90","","122.109","0.001","90","","4693.71","0.17","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C45 H84 O3 Os P2 -","- C45 H84 O3 Os P2 -","- C180 H336 O12 Os4 P8 -","4","0.5","","Fiedler, Tobias; Bhuvanesh, Nattamai; Hampel, Frank; Reibenspies, Joseph H.; Gladysz, John A.","Gyroscope like molecules consisting of trigonal or square planar osmium rotators within three-spoked dibridgehead diphosphine stators: syntheses, substitution reactions, structures, and dynamic properties.","Dalton transactions (Cambridge, England : 2003)","2016","45","16","7131","7147","10.1039/c6dt00692b","","","0.71073","MoKα","","0.0213","0.0197","","","0.0474","0.0481","","","","","","1.104","","","","has coordinates","182722","2020-10-21","18:00:00",""
"7038802","15.1764","0.001","23.3573","0.0014","22.945","0.0013","90","","95.723","0.003","90","","8093","0.9","110","","110","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C77 H97 B F24 O3 Os P2 -","- C77 H97 B F24 O3 Os P2 -","- C308 H388 B4 F96 O12 Os4 P8 -","4","1","","Fiedler, Tobias; Bhuvanesh, Nattamai; Hampel, Frank; Reibenspies, Joseph H.; Gladysz, John A.","Gyroscope like molecules consisting of trigonal or square planar osmium rotators within three-spoked dibridgehead diphosphine stators: syntheses, substitution reactions, structures, and dynamic properties.","Dalton transactions (Cambridge, England : 2003)","2016","45","16","7131","7147","10.1039/c6dt00692b","","","1.54178","CuKα","","0.0839","0.0628","","","0.1705","0.1812","","","","","","1.088","","","","has coordinates","182722","2020-10-21","18:00:00",""
"7038803","13.496","0.008","17.609","0.01","19.88","0.011","90","","96.549","0.007","90","","4694","5","110","2","110","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C46 H90 O2 Os P2 -","- C46 H90 O2 Os P2 -","- C184 H360 O8 Os4 P8 -","4","1","","Fiedler, Tobias; Bhuvanesh, Nattamai; Hampel, Frank; Reibenspies, Joseph H.; Gladysz, John A.","Gyroscope like molecules consisting of trigonal or square planar osmium rotators within three-spoked dibridgehead diphosphine stators: syntheses, substitution reactions, structures, and dynamic properties.","Dalton transactions (Cambridge, England : 2003)","2016","45","16","7131","7147","10.1039/c6dt00692b","","","0.71073","MoKα","","0.0341","0.0197","","","0.0437","0.0522","","","","","","1.07","","","","has coordinates,has disorder","182722","2020-10-21","18:00:00",""
"7038804","15.622","0.003","18.229","0.003","18.907","0.003","90","","97.607","0.002","90","","5336.8","1.6","110","2","110","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C56 H94 O2 Os P2 -","- C56 H94 O2 Os P2 -","- C224 H376 O8 Os4 P8 -","4","1","","Fiedler, Tobias; Bhuvanesh, Nattamai; Hampel, Frank; Reibenspies, Joseph H.; Gladysz, John A.","Gyroscope like molecules consisting of trigonal or square planar osmium rotators within three-spoked dibridgehead diphosphine stators: syntheses, substitution reactions, structures, and dynamic properties.","Dalton transactions (Cambridge, England : 2003)","2016","45","16","7131","7147","10.1039/c6dt00692b","","","0.71073","MoKα","","0.0959","0.07","","","0.1778","0.2262","","","","","","1.147","","","","has coordinates","182722","2020-10-21","18:00:00",""
"7038805","16.679","0.002","16.679","0.002","19.05","0.004","90","","90","","120","","4589.5","1.2","113","2","113","2","","","","","","","","5","P 63 m c","P 6c -2c","186","","","","- C45 H30 Co3 N15 O7 -","- C45 H30 Co3 N15 O7 -","- C90 H60 Co6 N30 O14 -","2","0.166667","","Gao, Qiang; Zhao, Xiao-Lin; Chang, Ze; Xu, Jian; Bu, Xian-He","Structural stabilization of a metal-organic framework for gas sorption investigation.","Dalton transactions (Cambridge, England : 2003)","2016","45","16","6830","6833","10.1039/c6dt00640j","","","0.71073","MoKα","","0.0734","0.0641","","","0.1621","0.1691","","","","","","1.077","","","","has coordinates","182724","2020-10-21","18:00:00",""
"7038806","10.232","0.003","17.868","0.005","17.892","0.005","90","","105.018","0.003","90","","3159.4","1.6","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C27 H36 Br5 N2 Ta -","- C27 H36 Br5 N2 Ta -","- C108 H144 Br20 N8 Ta4 -","4","1","","Bortoluzzi, Marco; Ferretti, Eleonora; Marchetti, Fabio; Pampaloni, Guido; Zacchini, Stefano","Coordination complexes of niobium and tantalum pentahalides with a bulky NHC ligand.","Dalton transactions (Cambridge, England : 2003)","2016","45","16","6939","6948","10.1039/c6dt00533k","","","0.71073","MoKα","","0.0766","0.0581","","","0.1315","0.1413","","","","","","1.101","","","","has coordinates","182725","2020-10-21","18:00:00",""
"7038807","11.105","0.002","16.481","0.003","10.701","0.002","90","","90","","90","","1958.5","0.6","100","2","100","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C19 H21 F6 N2 Ta -","- C19 H21 F6 N2 Ta -","- C76 H84 F24 N8 Ta4 -","4","0.5","","Bortoluzzi, Marco; Ferretti, Eleonora; Marchetti, Fabio; Pampaloni, Guido; Zacchini, Stefano","Coordination complexes of niobium and tantalum pentahalides with a bulky NHC ligand.","Dalton transactions (Cambridge, England : 2003)","2016","45","16","6939","6948","10.1039/c6dt00533k","","","0.71073","MoKα","","0.0348","0.0238","","","0.0499","0.0549","","","","","","1.044","","","","has coordinates","182725","2020-10-21","18:00:00",""
"7038808","19.081","0.012","22.404","0.014","8.21","0.005","90","","90","","90","","3510","4","273","","273","","","","","","","","","5","C m c 21","C 2c -2","36","","","","- C32 H28 As2 Cl2 Pt -","- C32 H28 As2 Cl2 Pt -","- C128 H112 As8 Cl8 Pt4 -","4","0.5","","Tanaka, Susumu; Imoto, Hiroaki; Kato, Takuji; Naka, Kensuke","A practical method for the generation of organoarsenic nucleophiles towards the construction of a versatile arsenic library.","Dalton transactions (Cambridge, England : 2003)","2016","45","19","7937","7940","10.1039/c6dt00723f","","","0.71075","MoKα","","0.0597","0.0547","","","0.1395","0.143","","","","","","1.093","","","","has coordinates","185541","2020-10-21","18:00:00",""
"7038809","22.8022","0.0012","16.7195","0.0009","13.2363","0.0004","90","","108.232","0.003","90","","4792.9","0.4","120","2","120","2","","","","","","","synthesis as described","6","C 1 2/c 1","-C 2yc","15","DP172","","","- C42 H18 Au2 F24 Hg5 P2 -","- C42 H18 Au2 F24 Hg5 P2 -","- C168 H72 Au8 F96 Hg20 P8 -","4","0.5","","Lasanta, Tania; López-de-Luzuriaga, José M; Monge, Miguel; Olmos, M. Elena; Pascual, David","Synthesis of the molecular amalgam [{AuHg2(o-C6F4)3}{Hg3(o-C6F4)3}](-): a rare example of a heterometallic homoleptic metallacycle.","Dalton transactions (Cambridge, England : 2003)","2016","45","15","6334","6338","10.1039/c6dt00934d","","x-ray","0.71073","MoKα","","0.1013","0.0859","","","0.1928","0.1977","","","","","","1.403","","","","has coordinates,has disorder","182699","2020-10-21","18:00:00",""
"7038810","10.172","0.008","10.241","0.008","18.093","0.013","98.064","0.009","92.357","0.012","112.881","0.01","1710","2","98","","98","","","","","","","","","5","P -1","-P 1","2","","","","- C30 H28 F12 O10 Ru2 -","- C30 H28 F12 O10 Ru2 -","- C60 H56 F24 O20 Ru4 -","2","1","","Sekine, Yoshihiro; Kosaka, Wataru; Kano, Hirohisa; Dou, Changxiao; Yokoyama, Taiga; Miyasaka, Hitoshi","trans-Heteroleptic carboxylate-bridged paddlewheel diruthenium(ii, ii) complexes with 2,6-bis(trifluoromethyl)benzoate ligands.","Dalton transactions (Cambridge, England : 2003)","2016","45","17","7427","7434","10.1039/c6dt00569a","","","0.71075","MoKα","","0.0838","0.0626","","","0.1264","0.1326","","","","","","0.917","","","","has coordinates","182752","2020-10-21","18:00:00",""
"7038811","22.369","0.007","8.967","0.002","24.188","0.009","90","","124.523","0.008","90","","3997","2","123","","123","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C36 H40 F12 O11 Ru2 -","- C36 H40 F12 O11 Ru2 -","- C144 H160 F48 O44 Ru8 -","4","0.5","","Sekine, Yoshihiro; Kosaka, Wataru; Kano, Hirohisa; Dou, Changxiao; Yokoyama, Taiga; Miyasaka, Hitoshi","trans-Heteroleptic carboxylate-bridged paddlewheel diruthenium(ii, ii) complexes with 2,6-bis(trifluoromethyl)benzoate ligands.","Dalton transactions (Cambridge, England : 2003)","2016","45","17","7427","7434","10.1039/c6dt00569a","","","0.7107","MoKα","","0.0553","0.0445","","","0.1054","0.1194","","","","","","1.214","","","","has coordinates","182752","2020-10-21","18:00:00",""
"7038812","19.302","0.002","10.5836","0.0011","19.7267","0.0019","90","","90","","90","","4029.9","0.7","88","","88","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C34 H36 F12 O10 Ru2 -","- C34 H36 F12 O10 Ru2 -","- C136 H144 F48 O40 Ru8 -","4","0.5","","Sekine, Yoshihiro; Kosaka, Wataru; Kano, Hirohisa; Dou, Changxiao; Yokoyama, Taiga; Miyasaka, Hitoshi","trans-Heteroleptic carboxylate-bridged paddlewheel diruthenium(ii, ii) complexes with 2,6-bis(trifluoromethyl)benzoate ligands.","Dalton transactions (Cambridge, England : 2003)","2016","45","17","7427","7434","10.1039/c6dt00569a","","","0.7107","MoKα","","0.0359","0.0333","","","0.0804","0.0827","","","","","","1.127","","","","has coordinates","182752","2020-10-21","18:00:00",""
"7038813","10.2128","0.0018","19.643","0.003","10.2777","0.0017","90","","106.857","0.004","90","","1973.2","0.6","123","","123","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C36 H40 F12 O10 Ru2 -","- C36 H40 F12 O10 Ru2 -","- C72 H80 F24 O20 Ru4 -","2","0.5","","Sekine, Yoshihiro; Kosaka, Wataru; Kano, Hirohisa; Dou, Changxiao; Yokoyama, Taiga; Miyasaka, Hitoshi","trans-Heteroleptic carboxylate-bridged paddlewheel diruthenium(ii, ii) complexes with 2,6-bis(trifluoromethyl)benzoate ligands.","Dalton transactions (Cambridge, England : 2003)","2016","45","17","7427","7434","10.1039/c6dt00569a","","","0.7107","MoKα","","0.0452","0.04","","","0.0812","0.085","","","","","","1.097","","","","has coordinates","182752","2020-10-21","18:00:00",""
"7038814","11.642","0.002","9.6284","0.0016","18.579","0.004","90","","98.218","0.005","90","","2061.2","0.7","123","","123","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C36 H40 F12 O10 Ru2 -","- C36 H40 F12 O10 Ru2 -","- C72 H80 F24 O20 Ru4 -","2","0.5","","Sekine, Yoshihiro; Kosaka, Wataru; Kano, Hirohisa; Dou, Changxiao; Yokoyama, Taiga; Miyasaka, Hitoshi","trans-Heteroleptic carboxylate-bridged paddlewheel diruthenium(ii, ii) complexes with 2,6-bis(trifluoromethyl)benzoate ligands.","Dalton transactions (Cambridge, England : 2003)","2016","45","17","7427","7434","10.1039/c6dt00569a","","","0.7107","MoKα","","0.0536","0.0506","","","0.1338","0.1375","","","","","","1.072","","","","has coordinates","182752","2020-10-21","18:00:00",""
"7038815","10.425","0.002","10.84","0.002","11.572","0.002","104.622","0.005","109.022","0.003","108.258","0.004","1078.6","0.3","97","","97","","","","","","","","","5","P -1","-P 1","2","","","","- C40 H24 F20 O10 Ru2 -","- C40 H12 F20 O10 Ru2 -","- C40 H12 F20 O10 Ru2 -","1","0.5","","Sekine, Yoshihiro; Kosaka, Wataru; Kano, Hirohisa; Dou, Changxiao; Yokoyama, Taiga; Miyasaka, Hitoshi","trans-Heteroleptic carboxylate-bridged paddlewheel diruthenium(ii, ii) complexes with 2,6-bis(trifluoromethyl)benzoate ligands.","Dalton transactions (Cambridge, England : 2003)","2016","45","17","7427","7434","10.1039/c6dt00569a","","","0.71075","MoKα","","0.0306","0.0274","","","0.0707","0.0729","","","","","","1.102","","","","has coordinates","182752","2020-10-21","18:00:00",""
"7038816","7.633","0.0002","18.6828","0.0004","15.7103","0.0004","90","","90","","90","","2240.38","0.09","105","","105","","","","","","","","","6","P n a 21","P 2c -2n","33","BbF9","","","- C30 H21 B F2 N2 O -","- C30 H21 B F2 N2 O -","- C120 H84 B4 F8 N8 O4 -","4","1","","Bessette, André; Auvray, Thomas; Désilets, Denis; Hanan, Garry S.","Non-symmetric benzo[b]-fused BODIPYs as a versatile fluorophore platform reaching the NIR: a systematic study of the underlying structure-property relationship.","Dalton transactions (Cambridge, England : 2003)","2016","45","18","7589","7604","10.1039/c5dt04444h","","x-ray","1.34139","GaKα","","0.036","0.0304","","","0.0644","0.0664","","","","","","1.073","","","","has coordinates","182678","2020-10-21","18:00:00",""
"7038817","7.558","0.0002","10.8156","0.0003","25.7212","0.0008","90","","90","","90","","2102.56","0.1","105","","105","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","BbF8","","","- C27 H22 B F2 N3 -","- C27 H22 B F2 N3 -","- C108 H88 B4 F8 N12 -","4","1","","Bessette, André; Auvray, Thomas; Désilets, Denis; Hanan, Garry S.","Non-symmetric benzo[b]-fused BODIPYs as a versatile fluorophore platform reaching the NIR: a systematic study of the underlying structure-property relationship.","Dalton transactions (Cambridge, England : 2003)","2016","45","18","7589","7604","10.1039/c5dt04444h","","x-ray","1.34139","GaKα","","0.0278","0.0277","","","0.0721","0.0723","","","","","","1.047","","","","has coordinates","182678","2020-10-21","18:00:00",""
"7038818","20.5702","0.0009","12.267","0.0005","7.9969","0.0004","90","","99.415","0.003","90","","1990.71","0.16","105","","105","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","BbF5","","","- C26 H19 B F2 N2 O -","- C26 H19 B F2 N2 O -","- C104 H76 B4 F8 N8 O4 -","4","1","","Bessette, André; Auvray, Thomas; Désilets, Denis; Hanan, Garry S.","Non-symmetric benzo[b]-fused BODIPYs as a versatile fluorophore platform reaching the NIR: a systematic study of the underlying structure-property relationship.","Dalton transactions (Cambridge, England : 2003)","2016","45","18","7589","7604","10.1039/c5dt04444h","","x-ray","1.34139","GaKα","","0.0717","0.0503","","","0.1165","0.1292","","","","","","1.029","","","","has coordinates,has disorder","182678","2020-10-21","18:00:00",""
"7038819","12.2509","0.0007","7.8383","0.0004","39.829","0.002","90","","90","","90","","3824.6","0.4","100","","100","","","","","","","","","5","P b c a","-P 2ac 2ab","61","Bbf1","","","- C25 H17 B F2 N2 -","- C25 H17 B F2 N2 -","- C200 H136 B8 F16 N16 -","8","1","","Bessette, André; Auvray, Thomas; Désilets, Denis; Hanan, Garry S.","Non-symmetric benzo[b]-fused BODIPYs as a versatile fluorophore platform reaching the NIR: a systematic study of the underlying structure-property relationship.","Dalton transactions (Cambridge, England : 2003)","2016","45","18","7589","7604","10.1039/c5dt04444h","","x-ray","1.34139","GaKα","","0.0685","0.0488","","","0.1122","0.1215","","","","","","1.043","","","","has coordinates","182678","2020-10-21","18:00:00",""
"7038820","13.241","0.003","13.767","0.003","29.787","0.006","90","","94.56","0.03","90","","5413","2","133","2","133","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C23 H32 Br2 Cu N6 O4 -","- C23 H32 Br2 Cu N6 O4 -","- C184 H256 Br16 Cu8 N48 O32 -","8","2","","Kügler, Merle; Scholz, Julius; Kronz, Andreas; Siewert, Inke","Copper complexes as catalyst precursors in the electrochemical hydrogen evolution reaction.","Dalton transactions (Cambridge, England : 2003)","2016","45","16","6974","6982","10.1039/c6dt00082g","","","0.71073","MoKα","","0.0773","0.0624","","","0.1585","0.1671","","","","","","1.096","","","","has coordinates","182732","2020-10-21","18:00:00",""
"7038821","11.231","0.002","12.002","0.002","15.218","0.003","98.67","0.03","97.62","0.03","95.17","0.03","1997.2","0.7","133","2","133","2","","","","","","","","5","P -1","-P 1","2","","","","- C47 H38 Cu2 N6 O7 -","- C47 H38 Cu2 N6 O7 -","- C94 H76 Cu4 N12 O14 -","2","1","","Kügler, Merle; Scholz, Julius; Kronz, Andreas; Siewert, Inke","Copper complexes as catalyst precursors in the electrochemical hydrogen evolution reaction.","Dalton transactions (Cambridge, England : 2003)","2016","45","16","6974","6982","10.1039/c6dt00082g","","","0.71073","MoKα","","0.061","0.0421","","","0.1009","0.1071","","","","","","0.943","","","","has coordinates","182732","2020-10-21","18:00:00",""
"7038822","8.8934","0.0018","10.975","0.002","13.212","0.003","79.75","0.03","80.08","0.03","84.89","0.03","1247.7","0.5","133","2","133","2","","","","","","","","5","P -1","-P 1","2","","","","- C23.5 H22.5 Cu2 N6 O9 -","- C23.5 H22.5 Cu2 N6 O9 -","- C47 H45 Cu4 N12 O18 -","2","1","","Kügler, Merle; Scholz, Julius; Kronz, Andreas; Siewert, Inke","Copper complexes as catalyst precursors in the electrochemical hydrogen evolution reaction.","Dalton transactions (Cambridge, England : 2003)","2016","45","16","6974","6982","10.1039/c6dt00082g","","","0.71073","MoKα","","0.0497","0.0416","","","0.1088","0.113","","","","","","1.032","","","","has coordinates,has disorder","182732","2020-10-21","18:00:00",""
"7038823","15.2115","0.0003","16.7551","0.0004","19.905","0.0004","90","","90","","90","","5073.19","0.19","133","2","133","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C45 H38 Cu2 N6 O5 -","- C45 H38 Cu2 N6 O5 -","- C180 H152 Cu8 N24 O20 -","4","1","","Kügler, Merle; Scholz, Julius; Kronz, Andreas; Siewert, Inke","Copper complexes as catalyst precursors in the electrochemical hydrogen evolution reaction.","Dalton transactions (Cambridge, England : 2003)","2016","45","16","6974","6982","10.1039/c6dt00082g","","","0.71073","MoKα","","0.041","0.0358","","","0.0835","0.0853","","","","","","0.987","","","","has coordinates,has disorder","182732","2020-10-21","18:00:00",""
"7038824","24.5626","0.0002","6.7022","0.0001","31.2584","0.0003","90","","95.08","","90","","5125.65","0.1","100","2","100.05","","","","","","","","","6","P 1 2/c 1","-P 2yc","13","ditBuBrSalphNi","N-(3,5-ditert-Butylsalicyliden)-N'-(5-pinacolboronylsalicyliden)-phenylendiaminatonickel(II)","","- C28 H29 Br N2 Ni O2 -","- C28 H29 Br N2 Ni O2 -","- C224 H232 Br8 N16 Ni8 O16 -","8","2","","Bugenhagen, B. E. C.; Prosenc, M. H.","Direct C-C coupling of two Ni-salphen complexes to yield dinickel-disalphen complexes with symmetric and non-symmetric substitution-patterns.","Dalton transactions (Cambridge, England : 2003)","2016","45","17","7460","7468","10.1039/c5dt04612b","","","0.71073","MoKα","","0.0483","0.0316","","","0.0776","0.0847","","","","","","1.016","","","","has coordinates","182755","2020-10-21","18:00:00",""
"7038825","14.4687","0.0001","24.9127","0.0002","17.5423","0.0002","90","","92.753","0.001","90","","6315.9","0.1","100.1","1","100.1","1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C34 H41 B N2 Ni O4 -","- C34 H41 B N2 Ni O4 -","- C272 H328 B8 N16 Ni8 O32 -","8","2","","Bugenhagen, B. E. C.; Prosenc, M. H.","Direct C-C coupling of two Ni-salphen complexes to yield dinickel-disalphen complexes with symmetric and non-symmetric substitution-patterns.","Dalton transactions (Cambridge, England : 2003)","2016","45","17","7460","7468","10.1039/c5dt04612b","","","0.71073","MoKα","","0.062","0.0376","","","0.0883","0.1025","","","","","","1.024","","","","has coordinates,has disorder","182755","2020-10-21","18:00:00",""
"7038826","13.3441","0.0002","17.1747","0.0003","23.5777","0.0004","84.506","0.001","76.205","0.001","76.103","0.001","5089.85","0.15","100","2","100.15","","","","","","","","","7","P -1","-P 1","2","tbu-br-salph-ni","N-(5-tert-Butylsalicyliden)-N'-(5-bromsalicyliden)-phenylendiaminatonickel(II)","","- C25 H22 Br Cl3 N2 Ni O2 -","- C25 H22 Br Cl3 N2 Ni O2 -","- C200 H176 Br8 Cl24 N16 Ni8 O16 -","8","4","","Bugenhagen, B. E. C.; Prosenc, M. H.","Direct C-C coupling of two Ni-salphen complexes to yield dinickel-disalphen complexes with symmetric and non-symmetric substitution-patterns.","Dalton transactions (Cambridge, England : 2003)","2016","45","17","7460","7468","10.1039/c5dt04612b","","","0.71073","MoKα","","0.0796","0.041","","","0.0774","0.0903","","","","","","1.011","","","","has coordinates","182755","2020-10-21","18:00:00",""
"7038827","15.4727","0.0004","13.78428","0.00017","14.1565","0.0003","90","","114.416","0.003","90","","2749.28","0.12","100.01","0.1","100.01","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","tBu-BPin-Salph-Ni","N-(5-tert-Butylsalicyliden)-N'-(5-pinacolboronylsalicyliden)-phenylendiaminatonickel(II)","","- C30 H33 B N2 Ni O4 -","- C30 H33 B N2 Ni O4 -","- C120 H132 B4 N8 Ni4 O16 -","4","1","","Bugenhagen, B. E. C.; Prosenc, M. H.","Direct C-C coupling of two Ni-salphen complexes to yield dinickel-disalphen complexes with symmetric and non-symmetric substitution-patterns.","Dalton transactions (Cambridge, England : 2003)","2016","45","17","7460","7468","10.1039/c5dt04612b","","","0.7107","MoKα","","0.0536","0.0481","","","0.116","0.1202","","","","","","1.043","","","","has coordinates,has disorder","182755","2020-10-21","18:00:00",""
"7038828","16.4203","0.0002","8.0156","0.0001","20.0126","0.0003","90","","100.66","","90","","2588.57","0.06","100.15","","100.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","tBu-Ni-tBu-Ni-Bip","tBu-Ni-tBu-Ni-Bip","","- C64 H58 N6 Ni2 O4 -","- C64 H58 N6 Ni2 O4 -","- C128 H116 N12 Ni4 O8 -","2","0.5","","Bugenhagen, B. E. C.; Prosenc, M. H.","Direct C-C coupling of two Ni-salphen complexes to yield dinickel-disalphen complexes with symmetric and non-symmetric substitution-patterns.","Dalton transactions (Cambridge, England : 2003)","2016","45","17","7460","7468","10.1039/c5dt04612b","","","0.71073","MoKα","","0.0682","0.0411","","","0.0968","0.1092","","","","","","1.022","","","","has coordinates,has disorder","182755","2020-10-21","18:00:00",""
"7038829","7.666","0.002","13.325","0.003","14.112","0.003","90","","90","","90","","1441.5","0.6","173","","173","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C14 H16 N P S2 -","- C14 H16 N P S2 -","- C56 H64 N4 P4 S8 -","4","1","","Kirst, Christin; Bode, Bela E.; Cordes, David B.; Nejman, Phillip S.; Slawin, Alexandra M. Z.; Karaghiosoff, Konstantin; Woollins, J. Derek","Diphosphane 2,2'-binaphtho[1,8-de][1,3,2]dithiaphosphinine and the easy formation of a stable phosphorus radical cation.","Dalton transactions (Cambridge, England : 2003)","2016","45","15","6348","6351","10.1039/c6dt00304d","","","0.71075","MoKα","","0.0761","0.0541","","","0.1348","0.1465","","","","","","1.058","","","","has coordinates","182705","2020-10-21","18:00:00",""
"7038830","7.5926","0.0008","7.7769","0.0011","9.5253","0.0019","100.33","0.018","112.832","0.012","105.952","0.016","471.75","0.16","173","","173","","","","","","","","","4","P -1","-P 1","2","","","","- C20 H12 P2 S4 -","- C20 H12 P2 S4 -","- C20 H12 P2 S4 -","1","0.5","","Kirst, Christin; Bode, Bela E.; Cordes, David B.; Nejman, Phillip S.; Slawin, Alexandra M. Z.; Karaghiosoff, Konstantin; Woollins, J. Derek","Diphosphane 2,2'-binaphtho[1,8-de][1,3,2]dithiaphosphinine and the easy formation of a stable phosphorus radical cation.","Dalton transactions (Cambridge, England : 2003)","2016","45","15","6348","6351","10.1039/c6dt00304d","","","0.71075","MoKα","","0.0314","0.0287","","","0.0953","0.1087","","","","","","1.199","","","","has coordinates","182705","2020-10-21","18:00:00",""
"7038831","6.5194","0.0006","30.015","0.003","12.7207","0.0011","90","","94.015","0.004","90","","2483.1","0.4","100","2","100","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C36 H24 I6 N12 P1.08 Zn3 -","- C36 H24 I6 N12 P1.0804 Zn3 -","- C72 H48 I12 N24 P2.1608 Zn6 -","2","0.5","","Choi, Wanuk; Ohtsu, Hiroyoshi; Matsushita, Yoshitaka; Kawano, Masaki","Safe P4 reagent in a reusable porous coordination network.","Dalton transactions (Cambridge, England : 2003)","2016","45","15","6357","6360","10.1039/c6dt00860g","","","0.71073","MoKα","","0.0664","0.0481","","","0.0932","0.1001","","","","","","1.074","","","","has coordinates","182706","2020-10-21","18:00:00",""
"7038832","6.5441","0.0004","30.1738","0.0018","12.7487","0.0008","90","","93.705","0.003","90","","2512.1","0.3","200","2","200","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C36 H24 I6 N12 P1.08 Zn3 -","- C36 H24 I6 N12 P1.0804 Zn3 -","- C72 H48 I12 N24 P2.1608 Zn6 -","2","0.5","","Choi, Wanuk; Ohtsu, Hiroyoshi; Matsushita, Yoshitaka; Kawano, Masaki","Safe P4 reagent in a reusable porous coordination network.","Dalton transactions (Cambridge, England : 2003)","2016","45","15","6357","6360","10.1039/c6dt00860g","","","0.71073","MoKα","","0.0719","0.0464","","","0.0865","0.0951","","","","","","1.033","","","","has coordinates","182706","2020-10-21","18:00:00",""
"7038833","12.7069","0.0003","30.5552","0.0008","6.5079","0.0002","90","","95.488","0.002","90","","2515.19","0.12","134","2","134","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C36 I6 N12 P3.76 Zn3 -","- C36 I6 N12 P3.76 Zn3 -","- C72 I12 N24 P7.52 Zn6 -","2","0.5","","Choi, Wanuk; Ohtsu, Hiroyoshi; Matsushita, Yoshitaka; Kawano, Masaki","Safe P4 reagent in a reusable porous coordination network.","Dalton transactions (Cambridge, England : 2003)","2016","45","15","6357","6360","10.1039/c6dt00860g","powder diffraction","","0.65297","synchrotron","","0.01782","","","","","","0.01783","0.04738","0.1623","","","","","","","has coordinates","182706","2020-10-21","18:00:00",""
"7038834","6.6025","0.0006","30.199","0.003","12.8199","0.0012","90","","90.491","0.003","90","","2556.1","0.4","300","2","300","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C36 H24 I6 N12 P1.08 Zn3 -","- C36 H24 I6 N12 P1.08 Zn3 -","- C72 H48 I12 N24 P2.16 Zn6 -","2","0.5","","Choi, Wanuk; Ohtsu, Hiroyoshi; Matsushita, Yoshitaka; Kawano, Masaki","Safe P4 reagent in a reusable porous coordination network.","Dalton transactions (Cambridge, England : 2003)","2016","45","15","6357","6360","10.1039/c6dt00860g","","","0.71073","MoKα","","0.0807","0.0554","","","0.0987","0.1071","","","","","","1.041","","","","has coordinates","182706","2020-10-21","18:00:00",""
"7038835","11.029","0.002","14.281","0.003","18.943","0.004","90","","96.809","0.007","90","","2962.6","1","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C24 H28 Co Dy N4 O14 -","- C24 H28 Co Dy N4 O14 -","- C96 H112 Co4 Dy4 N16 O56 -","4","1","","Hazra, Susanta; Titiš, Ján; Valigura, Dušan; Boča, Roman; Mohanta, Sasankasekhar","Bis-phenoxido and bis-acetato bridged heteronuclear {Co(III)Dy(III)} single molecule magnets with two slow relaxation branches.","Dalton transactions (Cambridge, England : 2003)","2016","45","17","7510","7520","10.1039/c6dt00848h","","","0.71073","MoKα","","0.061","0.0317","","","0.0515","0.0582","","","","","","1.034","","","","has coordinates","182753","2020-10-21","18:00:00",""
"7038836","10.7189","0.0009","15.8478","0.0014","16.4828","0.0015","90","","98.315","0.003","90","","2770.5","0.4","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C22 H24 Co Dy N4 O14 -","- C22 H24 Co Dy N4 O14 -","- C88 H96 Co4 Dy4 N16 O56 -","4","1","","Hazra, Susanta; Titiš, Ján; Valigura, Dušan; Boča, Roman; Mohanta, Sasankasekhar","Bis-phenoxido and bis-acetato bridged heteronuclear {Co(III)Dy(III)} single molecule magnets with two slow relaxation branches.","Dalton transactions (Cambridge, England : 2003)","2016","45","17","7510","7520","10.1039/c6dt00848h","","","0.71073","MoKα","","0.0342","0.0235","","","0.0488","0.0529","","","","","","1.077","","","","has coordinates","182753","2020-10-21","18:00:00",""
"7038837","13.1342","0.0003","13.1342","0.0003","72.139","0.002","90","","90","","120","","10777.3","0.5","150","0.1","150","0.1","","","","","","","","4","R -3 c","-R 3 2""c","167","tri(dmp-BIAN)Al","tri(N,N'-bis(3,5-dimethylphenylimino)acenaphthenesemiquinone) aluminum","","- C84 H72 Al N6 -","- C84 H72 Al N6 -","- C504 H432 Al6 N36 -","6","","","Zarkesh, Ryan A.; Ichimura, Andrew S.; Monson, Todd C.; Tomson, Neil C.; Anstey, Mitchell R.","Voltage clustering in redox-active ligand complexes: mitigating electronic communication through choice of metal ion.","Dalton transactions (Cambridge, England : 2003)","2016","45","24","9962","9969","10.1039/c6dt00422a","","","0.71073","MoKα","","0.0584","0.0487","","","0.1429","0.1499","","","","","","1.132","","","","has coordinates","185380","2020-10-21","18:00:00",""
"7038838","16.5661","0.0003","21.2001","0.0005","23.1498","0.0004","90","","91.3886","0.0017","90","","8127.9","0.3","150","0.1","150","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","tris(dmp-BIAN)Al tri-PF6","tri(N,N'-bis(3,5-dimethylphenylimino)acenaphthenequinone) aluminum tri(hexafluorophosphate)","","- C88 H78 Al F18 N8 P3 -","- C88 H78 Al F18 N8 P3 -","- C352 H312 Al4 F72 N32 P12 -","4","1","","Zarkesh, Ryan A.; Ichimura, Andrew S.; Monson, Todd C.; Tomson, Neil C.; Anstey, Mitchell R.","Voltage clustering in redox-active ligand complexes: mitigating electronic communication through choice of metal ion.","Dalton transactions (Cambridge, England : 2003)","2016","45","24","9962","9969","10.1039/c6dt00422a","","x-ray","0.71073","MoKα","","0.0673","0.0493","","","0.117","0.1298","","","","","","1.026","","","","has coordinates,has disorder","185380","2020-10-21","18:00:00",""
"7038839","13.1548","0.0002","13.1548","0.0002","71.8546","0.0012","90","","90","","120","","10768.5","0.3","150.05","0.1","150.05","0.1","","","","","","","","4","R -3 c","-R 3 2""c","167","tri(dmp-BIAN)Cr","tri(N,N'-bis(3,5-dimethylphenylimino)acenaphthenesemiquinone) chromium","","- C84 H72 Cr N6 -","- C84 H72 Cr N6 -","- C504 H432 Cr6 N36 -","6","","","Zarkesh, Ryan A.; Ichimura, Andrew S.; Monson, Todd C.; Tomson, Neil C.; Anstey, Mitchell R.","Voltage clustering in redox-active ligand complexes: mitigating electronic communication through choice of metal ion.","Dalton transactions (Cambridge, England : 2003)","2016","45","24","9962","9969","10.1039/c6dt00422a","","","0.71073","MoKα","","0.0432","0.0405","","","0.1253","0.1279","","","","","","1.064","","","","has coordinates","185380","2020-10-21","18:00:00",""
"7038840","16.5848","0.0003","21.1661","0.0004","23.1949","0.0004","90","","91.3501","0.0017","90","","8140","0.3","150","0.1","150","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","tris(dmp-BIAN)Cr tri-PF6","tri(N,N'-bis(3,5-dimethylphenylimino)acenaphthenequinone) chromium tri(hexafluorophosphate)","","- C88 H78 Cr F18 N8 P3 -","- C88 H78 Cr F18 N8 P3 -","- C352 H312 Cr4 F72 N32 P12 -","4","1","","Zarkesh, Ryan A.; Ichimura, Andrew S.; Monson, Todd C.; Tomson, Neil C.; Anstey, Mitchell R.","Voltage clustering in redox-active ligand complexes: mitigating electronic communication through choice of metal ion.","Dalton transactions (Cambridge, England : 2003)","2016","45","24","9962","9969","10.1039/c6dt00422a","","x-ray","0.71073","MoKα","","0.0613","0.0464","","","0.1125","0.1235","","","","","","1.023","","","","has coordinates,has disorder","185380","2020-10-21","18:00:00",""
"7038841","13.1696","0.0002","13.1696","0.0002","72.1013","0.0015","90","","90","","120","","10829.8","0.3","151","2","151","2","","","","","","","","4","R -3 c","-R 3 2""c","167","tri(dmp-BIAN)Ga","tri(N,N'-bis(3,5-dimethylphenylimino)acenaphthenesemiquinone) gallium","","- C84 H72 Ga N6 -","- C84 H72 Ga N6 -","- C504 H432 Ga6 N36 -","6","","","Zarkesh, Ryan A.; Ichimura, Andrew S.; Monson, Todd C.; Tomson, Neil C.; Anstey, Mitchell R.","Voltage clustering in redox-active ligand complexes: mitigating electronic communication through choice of metal ion.","Dalton transactions (Cambridge, England : 2003)","2016","45","24","9962","9969","10.1039/c6dt00422a","","","0.71073","MoKα","","0.0438","0.0383","","","0.1157","0.1192","","","","","","1.119","","","","has coordinates","185380","2020-10-21","18:00:00",""
"7038842","16.614","0.0002","21.1569","0.0003","23.2187","0.0003","90","","91.3726","0.0012","90","","8159.05","0.18","150","0.1","150","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","tris(dmp-BIAN)Ga tri-PF6","tri(N,N'-bis(3,5-dimethylphenylimino)acenaphthenequinone) gallium tri(hexafluorophosphate)","","- C88 H78 F18 Ga N8 P3 -","- C88 H78 F18 Ga N8 P3 -","- C352 H312 F72 Ga4 N32 P12 -","4","1","","Zarkesh, Ryan A.; Ichimura, Andrew S.; Monson, Todd C.; Tomson, Neil C.; Anstey, Mitchell R.","Voltage clustering in redox-active ligand complexes: mitigating electronic communication through choice of metal ion.","Dalton transactions (Cambridge, England : 2003)","2016","45","24","9962","9969","10.1039/c6dt00422a","","x-ray","0.71073","MoKα","","0.0609","0.0479","","","0.1194","0.1275","","","","","","1.043","","","","has coordinates","185380","2020-10-21","18:00:00",""
"7038843","5.2722","0.0007","7.9432","0.001","15.213","0.002","90","","90.058","0.006","90","","637.09","0.14","572","2","572","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- O14 P2 Pb2 Te2 Zn3 -","- O14 P2 Pb2 Te2 Zn3 -","- O28 P4 Pb4 Te4 Zn6 -","2","0.5","","Xia, Mingjun; Li, R. K.","Structural variety in zinc telluro-phosphates: syntheses, crystal structures and characterizations of Sr2Zn3Te2P2O14, Pb2Zn3Te2P2O14 and Ba2Zn2TeP2O11.","Dalton transactions (Cambridge, England : 2003)","2016","45","17","7492","7499","10.1039/c6dt00058d","","","0.71073","MoKα","","0.0407","0.0368","","","0.0823","0.085","","","","","","1.037","","","","has coordinates","182743","2020-10-21","18:00:00",""
"7038844","7.021","0.004","16.166","0.009","9.819","0.006","90","","106.131","0.006","90","","1070.6","1.1","572","2","572","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- Ba2 O11 P2 Te Zn2 -","- Ba2 O11 P2 Te Zn2 -","- Ba8 O44 P8 Te4 Zn8 -","4","1","","Xia, Mingjun; Li, R. K.","Structural variety in zinc telluro-phosphates: syntheses, crystal structures and characterizations of Sr2Zn3Te2P2O14, Pb2Zn3Te2P2O14 and Ba2Zn2TeP2O11.","Dalton transactions (Cambridge, England : 2003)","2016","45","17","7492","7499","10.1039/c6dt00058d","","","0.71073","MoKα","","0.0368","0.0332","","","0.0766","0.0787","","","","","","1.066","","","","has coordinates","182743","2020-10-21","18:00:00",""
"7038845","5.248","0.004","7.895","0.007","15.336","0.013","90","","90.409","0.009","90","","635.4","0.9","572","2","572","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- O14 P2 Sr2 Te2 Zn3 -","- O14 P2 Sr2 Te2 Zn3 -","- O28 P4 Sr4 Te4 Zn6 -","2","0.5","","Xia, Mingjun; Li, R. K.","Structural variety in zinc telluro-phosphates: syntheses, crystal structures and characterizations of Sr2Zn3Te2P2O14, Pb2Zn3Te2P2O14 and Ba2Zn2TeP2O11.","Dalton transactions (Cambridge, England : 2003)","2016","45","17","7492","7499","10.1039/c6dt00058d","","","0.71073","MoKα","","0.0395","0.0331","","","0.0842","0.0878","","","","","","1.209","","","","has coordinates","182743","2020-10-21","18:00:00",""
"7038846","8.1511","0.0012","8.1511","0.0012","19.57","0.004","90","","90","","90","","1300.2","0.4","293","2","293","2","","","","","","","","4","P 4/n c c :2","-P 4a 2ac","130","","","","- K2 Se6 Sn2 Zn -","- K2 Se6 Sn2 Zn -","- K8 Se24 Sn8 Zn4 -","4","0.25","","Zhou, Molin; Li, Chao; Li, Xiaoshuang; Yao, Jiyong; Wu, Yicheng","K2Sn2ZnSe6, Na2Ge2ZnSe6, and Na2In2GeSe6: a new series of quaternary selenides with intriguing structural diversity and nonlinear optical properties.","Dalton transactions (Cambridge, England : 2003)","2016","45","18","7627","7633","10.1039/c6dt00143b","","","0.71073","MoKα","","0.0463","0.0451","","","0.0743","0.0767","","","","","","1.899","","","","has coordinates","182674","2020-10-21","18:00:00",""
"7038847","7.7568","0.0012","7.7568","0.0012","18.734","0.004","90","","90","","90","","1127.2","0.3","293","2","293","2","","","","","","","","4","I 4/m c m","-I 4 2c","140","","","","- Ge2 Na2 Se6 Zn -","- Ge2 Na2 Se6 Zn -","- Ge8 Na8 Se24 Zn4 -","4","0.125","","Zhou, Molin; Li, Chao; Li, Xiaoshuang; Yao, Jiyong; Wu, Yicheng","K2Sn2ZnSe6, Na2Ge2ZnSe6, and Na2In2GeSe6: a new series of quaternary selenides with intriguing structural diversity and nonlinear optical properties.","Dalton transactions (Cambridge, England : 2003)","2016","45","18","7627","7633","10.1039/c6dt00143b","","","0.71073","MoKα","","0.0466","0.0451","","","0.0991","0.0998","","","","","","1.672","","","","has coordinates","182674","2020-10-21","18:00:00",""
"7038848","12.707","0.003","8.1157","0.0016","12.76","0.003","90","","108.7","0.03","90","","1246.4","0.5","293","2","293","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- Ge In2 Na2 Se6 -","- Ge In2 Na2 Se6 -","- Ge4 In8 Na8 Se24 -","4","1","","Zhou, Molin; Li, Chao; Li, Xiaoshuang; Yao, Jiyong; Wu, Yicheng","K2Sn2ZnSe6, Na2Ge2ZnSe6, and Na2In2GeSe6: a new series of quaternary selenides with intriguing structural diversity and nonlinear optical properties.","Dalton transactions (Cambridge, England : 2003)","2016","45","18","7627","7633","10.1039/c6dt00143b","","","0.71073","MoKα","","0.0323","0.028","","","0.0476","0.0488","","","","","","0.851","","","","has coordinates","182674","2020-10-21","18:00:00",""
"7038849","13.2747","0.0015","20.662","0.002","28.789","0.003","82.413","0.002","87.565","0.002","88.684","0.001","7818.9","1.4","123","2","123","2","","","","","","","","5","P -1","-P 1","2","","","","- C92 H67 Dy3 N20 O6 -","- C92 H67 Dy3 N20 O6 -","- C368 H268 Dy12 N80 O24 -","4","2","","Gao, Feng; Feng, Xiaowan; Yang, Liu; Chen, Xiaoyu","New sandwich-type lanthanide complexes based on closed-macrocyclic Schiff base and phthalocyanine molecules.","Dalton transactions (Cambridge, England : 2003)","2016","45","17","7476","7482","10.1039/c6dt00683c","","","0.71073","MoKα","","0.0615","0.045","","","0.1101","0.1185","","","","","","1.038","","","","has coordinates","182756","2020-10-21","18:00:00",""
"7038850","13.2605","0.0013","20.737","0.002","28.706","0.003","81.838","0.001","87.773","0.001","88.261","0.001","7805.3","1.3","123","2","123","2","","","","","","","","5","P -1","-P 1","2","","","","- C92 H67 Er3 N20 O6 -","- C92 H67 Er3 N20 O6 -","- C368 H268 Er12 N80 O24 -","4","2","","Gao, Feng; Feng, Xiaowan; Yang, Liu; Chen, Xiaoyu","New sandwich-type lanthanide complexes based on closed-macrocyclic Schiff base and phthalocyanine molecules.","Dalton transactions (Cambridge, England : 2003)","2016","45","17","7476","7482","10.1039/c6dt00683c","","","0.71073","MoKα","","0.07","0.0509","","","0.1206","0.131","","","","","","1.063","","","","has coordinates","182756","2020-10-21","18:00:00",""
"7038851","9.65586","0.00014","9.65586","0.00014","7.15289","0.00012","90","","90","","120","","577.556","0.015","300","","300","","","","","","","","","4","P 63/m","-P 6c","176","","","","- Ca2.87 La7.13 O26 Si6 -","- Ca2.868 La7.132 O26 Si6 -","- Ca2.868 La7.132 O26 Si6 -","1","0.0833333","","Yufei Xia; Jian Chen; Yan-gai Liu; Maxim S. Molokeev; Ming Guan; Zhaohui Huang; Minghao Fang","Crystal structure evolution and luminescence properties of color tunable solid solution phosphors Ca2+xLa8-x(SiO4)6-x(PO4)xO2:Eu2+","Dalton Transactions","2016","45","3","1007","1015","10.1039/C5DT03786G","powder diffraction","x-ray","1.5406","CuKα~1~~2~","","","","","","","","","2.27","7.655","","","","","","","has coordinates,has Fobs","205493","2020-10-21","18:00:00",""
"7038852","9.59484","0.00058","9.59484","0.00058","7.08819","0.00046","90","","90","","120","","565.12","0.06","300","","300","","","","","","","","","5","P 63/m","-P 6c","176","","","","- Ca4.47 La5.53 O26 P2.47 Si3.53 -","- Ca4.466 La5.534 O26 P2.472 Si3.528 -","- Ca4.466 La5.534 O26 P2.472 Si3.528 -","1","0.0833333","","Yufei Xia; Jian Chen; Yan-gai Liu; Maxim S. Molokeev; Ming Guan; Zhaohui Huang; Minghao Fang","Crystal structure evolution and luminescence properties of color tunable solid solution phosphors Ca2+xLa8-x(SiO4)6-x(PO4)xO2:Eu2+","Dalton Transactions","2016","45","3","1007","1015","10.1039/C5DT03786G","powder diffraction","x-ray","1.5406","CuKα~1~~2~","","","","","","","","","2.17","8.474","","","","","","","has coordinates,has Fobs","205493","2020-10-21","18:00:00",""
"7038853","9.53251","0.00043","9.53251","0.00043","7.02062","0.00036","90","","90","","120","","552.49","0.05","300","","300","","","","","","","","","5","P 63/m","-P 6c","176","","","","- Ca6.52 La3.48 O26 P4.52 Si1.48 -","- Ca6.5252 La3.4748 O26 P4.524 Si1.476 -","- Ca6.5252 La3.4748 O26 P4.524 Si1.476 -","1","0.0833333","","Yufei Xia; Jian Chen; Yan-gai Liu; Maxim S. Molokeev; Ming Guan; Zhaohui Huang; Minghao Fang","Crystal structure evolution and luminescence properties of color tunable solid solution phosphors Ca2+xLa8-x(SiO4)6-x(PO4)xO2:Eu2+","Dalton Transactions","2016","45","3","1007","1015","10.1039/C5DT03786G","powder diffraction","x-ray","1.5406","CuKα~1~~2~","","","","","","","","","1.79","7.874","","","","","","","has coordinates,has Fobs","205493","2020-10-21","18:00:00",""
"7038854","9.4606","0.00018","9.4606","0.00018","6.9356","0.00013","90","","90","","120","","537.591","0.018","300","","300","","","","","","","","","4","P 63/m","-P 6c","176","","","","- Ca8.28 La1.72 O26 P6 -","- Ca8.281 La1.719 O26 P6 -","- Ca8.281 La1.719 O26 P6 -","1","0.0833333","","Yufei Xia; Jian Chen; Yan-gai Liu; Maxim S. Molokeev; Ming Guan; Zhaohui Huang; Minghao Fang","Crystal structure evolution and luminescence properties of color tunable solid solution phosphors Ca2+xLa8-x(SiO4)6-x(PO4)xO2:Eu2+","Dalton Transactions","2016","45","3","1007","1015","10.1039/C5DT03786G","powder diffraction","x-ray","1.5406","CuKα~1~~2~","","","","","","","","","2.78","7.598","","","","","","","has coordinates,has Fobs","205493","2020-10-21","18:00:00",""
"7038855","9.582","0.004","11.591","0.005","9.149","0.004","90","","100.212","0.005","90","","1000","0.7","90","","90","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C12 H9 N3 O -","- C12 H9 N3 O -","- C48 H36 N12 O4 -","4","1","","Murashima, Kensuke; Karasawa, Satoru; Yoza, Kenji; Inagaki, Yuji; Koga, Noboru","3- and 4-(α-diazobenzyl)pyridine-N-oxides as photoresponsive magnetic couplers for 2p-4f heterospin systems: formation of carbene-Tb(III) and carbene-Dy(III) single-molecule magnets.","Dalton transactions (Cambridge, England : 2003)","2016","45","16","7067","7077","10.1039/c6dt00420b","","","0.71075","MoKα","","0.0527","0.0439","","","0.1198","0.1266","","","","","","1.032","","","","has coordinates","182720","2020-10-21","18:00:00",""
"7038856","14.9824","0.0014","16.7219","0.0015","17.17","0.0016","90","","96.176","0.0011","90","","4276.7","0.7","90","","90","","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C74 H44 Cl6 F18 Gd2 N6 O14 S6 -","- C74 H44 Cl6 F18 Gd2 N6 O14 S6 -","- C148 H88 Cl12 F36 Gd4 N12 O28 S12 -","2","0.5","","Murashima, Kensuke; Karasawa, Satoru; Yoza, Kenji; Inagaki, Yuji; Koga, Noboru","3- and 4-(α-diazobenzyl)pyridine-N-oxides as photoresponsive magnetic couplers for 2p-4f heterospin systems: formation of carbene-Tb(III) and carbene-Dy(III) single-molecule magnets.","Dalton transactions (Cambridge, England : 2003)","2016","45","16","7067","7077","10.1039/c6dt00420b","","","0.71073","MoKα","","0.0564","0.051","","","0.135","0.1425","","","","","","1.03","","","","has coordinates,has disorder","182720","2020-10-21","18:00:00",""
"7038857","14.9961","0.0009","16.7164","0.001","17.1809","0.001","90","","96.174","0.0007","90","","4281.9","0.4","90","","90","","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C74 H44 Cl6 F18 N6 O14 S6 Tb2 -","- C74 H44 Cl6 F18 N6 O14 S6 Tb2 -","- C148 H88 Cl12 F36 N12 O28 S12 Tb4 -","2","0.5","","Murashima, Kensuke; Karasawa, Satoru; Yoza, Kenji; Inagaki, Yuji; Koga, Noboru","3- and 4-(α-diazobenzyl)pyridine-N-oxides as photoresponsive magnetic couplers for 2p-4f heterospin systems: formation of carbene-Tb(III) and carbene-Dy(III) single-molecule magnets.","Dalton transactions (Cambridge, England : 2003)","2016","45","16","7067","7077","10.1039/c6dt00420b","","","0.71073","MoKα","","0.0427","0.0375","","","0.1014","0.109","","","","","","0.952","","","","has coordinates,has disorder","182720","2020-10-21","18:00:00",""
"7038858","14.9627","0.0013","16.7262","0.0015","17.161","0.0015","90","","96.029","0.0011","90","","4271.1","0.7","90","","90","","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C74 H44 Cl6 Dy2 F18 N6 O14 S6 -","- C74 H44 Cl6 Dy2 F18 N6 O14 S6 -","- C148 H88 Cl12 Dy4 F36 N12 O28 S12 -","2","0.5","","Murashima, Kensuke; Karasawa, Satoru; Yoza, Kenji; Inagaki, Yuji; Koga, Noboru","3- and 4-(α-diazobenzyl)pyridine-N-oxides as photoresponsive magnetic couplers for 2p-4f heterospin systems: formation of carbene-Tb(III) and carbene-Dy(III) single-molecule magnets.","Dalton transactions (Cambridge, England : 2003)","2016","45","16","7067","7077","10.1039/c6dt00420b","","","0.71073","MoKα","","0.0492","0.041","","","0.1053","0.1143","","","","","","1.022","","","","has coordinates,has disorder","182720","2020-10-21","18:00:00",""
"7038859","12.697","0.003","13.7","0.003","13.882","0.003","100.957","0.003","101.137","0.003","93.548","0.003","2313.9","0.9","90","","90","","","","","","","","","8","P -1","-P 1","2","","","","- C76 H44 Cl12 F18 N6 O14 S6 Tb2 -","- C76 H44 Cl12 F18 N6 O14 S6 Tb2 -","- C76 H44 Cl12 F18 N6 O14 S6 Tb2 -","1","0.5","","Murashima, Kensuke; Karasawa, Satoru; Yoza, Kenji; Inagaki, Yuji; Koga, Noboru","3- and 4-(α-diazobenzyl)pyridine-N-oxides as photoresponsive magnetic couplers for 2p-4f heterospin systems: formation of carbene-Tb(III) and carbene-Dy(III) single-molecule magnets.","Dalton transactions (Cambridge, England : 2003)","2016","45","16","7067","7077","10.1039/c6dt00420b","","","0.71075","MoKα","","0.0895","0.0721","","","0.1944","0.2125","","","","","","1.047","","","","has coordinates","182720","2020-10-21","18:00:00",""
"7038860","16.0226","0.0004","16.0226","0.0004","34.0974","0.0012","90","","90","","120","","7580.8","0.4","293","2","293","2","","","","","","","","6","P 32 2 1","P 32 2""","154","","","","- C45 H50 Cl2 Cu N6 O9 -","- C45 H34 Cl2 Cu N6 O8.988 -","- C270 H204 Cl12 Cu6 N36 O53.928 -","6","1","","Mahendiran, Dharmasivam; Kumar, Raju Senthil; Viswanathan, Vijayan; Velmurugan, Devadasan; Rahiman, Aziz Kalilur","Targeting of DNA molecules, BSA/c-Met tyrosine kinase receptors and anti-proliferative activity of bis(terpyridine)copper(ii) complexes.","Dalton transactions (Cambridge, England : 2003)","2016","45","18","7794","7814","10.1039/c5dt03831f","","","0.71073","MoKα","","0.1221","0.0659","","","0.1643","0.1873","","","","","","0.926","","","","has coordinates,has disorder","182670","2020-10-21","18:00:00",""
"7038861","7.4019","0.001","7.5564","0.001","11.4734","0.0015","88.006","0.002","74.539","0.002","79.608","0.002","608.3","0.14","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C10 H8 N2 O2 S2 Sn -","- C10 H8 N2 O2 S2 Sn -","- C20 H16 N4 O4 S4 Sn2 -","2","1","","Karwasara, Surendar; Jha, Chandan Kumar; Sinhababu, Soumen; Nagendran, Selvarajan","O,S-Heterocyclic stannylenes: synthesis and reactivity.","Dalton transactions (Cambridge, England : 2003)","2016","45","17","7200","7204","10.1039/c6dt01013j","","","0.71073","MoKα","","0.026","0.0244","","","0.0569","0.0578","","","","","","1.058","","","","has coordinates","182757","2020-10-21","18:00:00",""
"7038862","9.4585","0.0016","10.3141","0.0018","10.6648","0.0018","82.554","0.003","64.039","0.003","63.591","0.003","835.1","0.2","175","2","175","2","","","","","","","","7","P -1","-P 1","2","","","","- C10 H8 Cl2 N2 O3 S2 Sb2 -","- C10 H8 Cl2 N2 O3 S2 Sb2 -","- C20 H16 Cl4 N4 O6 S4 Sb4 -","2","1","","Karwasara, Surendar; Jha, Chandan Kumar; Sinhababu, Soumen; Nagendran, Selvarajan","O,S-Heterocyclic stannylenes: synthesis and reactivity.","Dalton transactions (Cambridge, England : 2003)","2016","45","17","7200","7204","10.1039/c6dt01013j","","","0.71073","MoKα","","0.0478","0.0376","","","0.0888","0.0934","","","","","","1.049","","","","has coordinates","182757","2020-10-21","18:00:00",""
"7038863","9.2261","0.0011","9.2261","0.0011","12.741","0.003","90","","90","","90","","1084.5","0.3","200","2","200","2","","","","","","","","6","P 42/n :2","-P 4bc","86","","","","- C20 H16 N4 O4 S4 Sn -","- C20 H16 N4 O4 S4 Sn -","- C40 H32 N8 O8 S8 Sn2 -","2","0.25","","Karwasara, Surendar; Jha, Chandan Kumar; Sinhababu, Soumen; Nagendran, Selvarajan","O,S-Heterocyclic stannylenes: synthesis and reactivity.","Dalton transactions (Cambridge, England : 2003)","2016","45","17","7200","7204","10.1039/c6dt01013j","","","0.71073","MoKα","","0.0777","0.0665","","","0.1297","0.1345","","","","","","1.282","","","","has coordinates","182757","2020-10-21","18:00:00",""
"7038864","6.4885","0.0019","13.237","0.004","9.119","0.003","90","","102.608","0.005","90","","764.3","0.4","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C5 H4 Cl Ge N O S -","- C5 H4 Cl Ge N O S -","- C20 H16 Cl4 Ge4 N4 O4 S4 -","4","1","","Karwasara, Surendar; Jha, Chandan Kumar; Sinhababu, Soumen; Nagendran, Selvarajan","O,S-Heterocyclic stannylenes: synthesis and reactivity.","Dalton transactions (Cambridge, England : 2003)","2016","45","17","7200","7204","10.1039/c6dt01013j","","","0.71073","MoKα","","0.0546","0.0513","","","0.1327","0.1348","","","","","","1.14","","","","has coordinates","182757","2020-10-21","18:00:00",""
"7038865","12.6099","0.0016","9.8845","0.0013","14.1146","0.0017","90","","99.243","0.002","90","","1736.4","0.4","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C13 H20 Cl2 In N O3 S -","- C13 H20 Cl2 In N O3 S -","- C52 H80 Cl8 In4 N4 O12 S4 -","4","1","","Karwasara, Surendar; Jha, Chandan Kumar; Sinhababu, Soumen; Nagendran, Selvarajan","O,S-Heterocyclic stannylenes: synthesis and reactivity.","Dalton transactions (Cambridge, England : 2003)","2016","45","17","7200","7204","10.1039/c6dt01013j","","","0.71073","MoKα","","0.0278","0.0242","","","0.056","0.0576","","","","","","1.026","","","","has coordinates","182757","2020-10-21","18:00:00",""
"7038866","5.9142","0.0014","7.4252","0.0018","9.479","0.002","79.27","0.004","72.376","0.004","82.595","0.005","388.62","0.16","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C5 H4 Cl N O S Sn -","- C5 H4 Cl N O S Sn -","- C10 H8 Cl2 N2 O2 S2 Sn2 -","2","1","","Karwasara, Surendar; Jha, Chandan Kumar; Sinhababu, Soumen; Nagendran, Selvarajan","O,S-Heterocyclic stannylenes: synthesis and reactivity.","Dalton transactions (Cambridge, England : 2003)","2016","45","17","7200","7204","10.1039/c6dt01013j","","","0.71073","MoKα","","0.0398","0.0346","","","0.0814","0.0833","","","","","","1.069","","","","has coordinates","182757","2020-10-21","18:00:00",""
"7038867","9.0272","0.0018","14.335","0.003","15.885","0.003","90","","94.004","0.003","90","","2050.6","0.7","298","","298","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C14 H8 Au2 Cd F2 N6 -","- C14 H8 Au2 Cd F2 N6 -","- C56 H32 Au8 Cd4 F8 N24 -","4","1","","Yamagishi, Akihiko; Kawasaki, Takeshi; Hiruma, Kei; Sato, Hisako; Kitazawa, Takafumi","Emission behaviour of a series of bimetallic Cd(ii)-Au(i) coordination polymers.","Dalton transactions (Cambridge, England : 2003)","2016","45","18","7823","7828","10.1039/c6dt00537c","","","0.71073","MoKα","","0.078","0.0468","","","0.1105","0.1223","","","","","","1.044","","","","has coordinates,has disorder","182665","2020-10-21","18:00:00",""
"7038868","8.9854","0.0011","15.802","0.002","14.9145","0.0019","90","","101.732","0.002","90","","2073.4","0.5","180","","180","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H14 Au2 Cd N6 -","- C16 H14 Au2 Cd N6 -","- C64 H56 Au8 Cd4 N24 -","4","1","","Yamagishi, Akihiko; Kawasaki, Takeshi; Hiruma, Kei; Sato, Hisako; Kitazawa, Takafumi","Emission behaviour of a series of bimetallic Cd(ii)-Au(i) coordination polymers.","Dalton transactions (Cambridge, England : 2003)","2016","45","18","7823","7828","10.1039/c6dt00537c","","","0.71073","MoKα","","0.0636","0.0463","","","0.1161","0.128","","","","","","0.998","","","","has coordinates","182665","2020-10-21","18:00:00",""
"7038869","8.8666","0.0005","15.8409","0.0009","14.8945","0.0009","90","","100.924","0.001","90","","2054.1","0.2","90","","90","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H14 Au2 Cd N6 -","- C16 H14 Au2 Cd N6 -","- C64 H56 Au8 Cd4 N24 -","4","1","","Yamagishi, Akihiko; Kawasaki, Takeshi; Hiruma, Kei; Sato, Hisako; Kitazawa, Takafumi","Emission behaviour of a series of bimetallic Cd(ii)-Au(i) coordination polymers.","Dalton transactions (Cambridge, England : 2003)","2016","45","18","7823","7828","10.1039/c6dt00537c","","","0.71073","MoKα","","0.0415","0.027","","","0.0601","0.0647","","","","","","0.998","","","","has coordinates","182665","2020-10-21","18:00:00",""
"7038870","37.679","0.002","10.8471","0.0006","21.4546","0.0013","90","","98.986","0.001","90","","8661","0.8","90","","90","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C36 H36 Au4 Cd2 N12 -","- C36 H36 Au4 Cd2 N12 -","- C288 H288 Au32 Cd16 N96 -","8","1","","Yamagishi, Akihiko; Kawasaki, Takeshi; Hiruma, Kei; Sato, Hisako; Kitazawa, Takafumi","Emission behaviour of a series of bimetallic Cd(ii)-Au(i) coordination polymers.","Dalton transactions (Cambridge, England : 2003)","2016","45","18","7823","7828","10.1039/c6dt00537c","","","0.71073","MoKα","","0.0574","0.0528","","","0.1362","0.1407","","","","","","1.054","","","","has coordinates","182665","2020-10-21","18:00:00",""
"7038871","15.2393","0.0013","9.149","0.0008","15.5747","0.0013","90","","90","","90","","2171.5","0.3","298","","298","","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C18 H18 Au2 Cd N6 -","- C18 H18 Au2 Cd N6 -","- C72 H72 Au8 Cd4 N24 -","4","1","","Yamagishi, Akihiko; Kawasaki, Takeshi; Hiruma, Kei; Sato, Hisako; Kitazawa, Takafumi","Emission behaviour of a series of bimetallic Cd(ii)-Au(i) coordination polymers.","Dalton transactions (Cambridge, England : 2003)","2016","45","18","7823","7828","10.1039/c6dt00537c","","","0.71073","MoKα","","0.0521","0.034","","","0.0644","0.0709","","","","","","0.889","","","","has coordinates","182665","2020-10-21","18:00:00",""
"7038872","15.21","0.003","9.1078","0.0014","15.634","0.003","90","","90","","90","","2165.8","0.7","180","","180","","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C18 H18 Au2 Cd N6 -","- C18 H18 Au2 Cd N6 -","- C72 H72 Au8 Cd4 N24 -","4","1","","Yamagishi, Akihiko; Kawasaki, Takeshi; Hiruma, Kei; Sato, Hisako; Kitazawa, Takafumi","Emission behaviour of a series of bimetallic Cd(ii)-Au(i) coordination polymers.","Dalton transactions (Cambridge, England : 2003)","2016","45","18","7823","7828","10.1039/c6dt00537c","","","0.71073","MoKα","","0.0318","0.0257","","","0.0511","0.0531","","","","","","0.986","","","","has coordinates","182665","2020-10-21","18:00:00",""
"7038873","15.1496","0.0019","9.0705","0.0011","15.6694","0.0019","90","","90","","90","","2153.2","0.5","90","","90","","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C18 H18 Au2 Cd N6 -","- C18 H18 Au2 Cd N6 -","- C72 H72 Au8 Cd4 N24 -","4","1","","Yamagishi, Akihiko; Kawasaki, Takeshi; Hiruma, Kei; Sato, Hisako; Kitazawa, Takafumi","Emission behaviour of a series of bimetallic Cd(ii)-Au(i) coordination polymers.","Dalton transactions (Cambridge, England : 2003)","2016","45","18","7823","7828","10.1039/c6dt00537c","","","0.71073","MoKα","","0.028","0.0229","","","0.0456","0.0473","","","","","","0.869","","","","has coordinates","182665","2020-10-21","18:00:00",""
"7038874","11.7983","0.0007","11.9044","0.0007","14.4291","0.0008","72.807","0.003","81.143","0.003","61.863","0.002","1706.98","0.18","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C42 H28 Co N6 O6 -","- C42 H28 Co N6 O6 -","- C84 H56 Co2 N12 O12 -","2","1","","Wang, Yu-Ling; Chen, Lin; Liu, Cai-Ming; Du, Zi-Yi; Chen, Li-Li; Liu, Qing-Yan","3D chiral and 2D achiral cobalt(ii) compounds constructed from a 4-(benzimidazole-1-yl)benzoic ligand exhibiting field-induced single-ion-magnet-type slow magnetic relaxation.","Dalton transactions (Cambridge, England : 2003)","2016","45","18","7768","7775","10.1039/c6dt00676k","","","0.71073","MoKα","","0.034","0.0305","","","0.0836","0.0866","","","","","","1.003","","","","has coordinates","182669","2020-10-21","18:00:00",""
"7038875","12.9013","0.0004","12.9013","0.0004","15.3095","0.0009","90","","90","","120","","2206.78","0.16","296","2","296","2","","","","","","","","5","P 31 2 1","P 31 2""","152","","","","- C30 H24 Co N4 O6 -","- C30 H24 Co N4 O6 -","- C90 H72 Co3 N12 O18 -","3","0.5","","Wang, Yu-Ling; Chen, Lin; Liu, Cai-Ming; Du, Zi-Yi; Chen, Li-Li; Liu, Qing-Yan","3D chiral and 2D achiral cobalt(ii) compounds constructed from a 4-(benzimidazole-1-yl)benzoic ligand exhibiting field-induced single-ion-magnet-type slow magnetic relaxation.","Dalton transactions (Cambridge, England : 2003)","2016","45","18","7768","7775","10.1039/c6dt00676k","","","0.71073","MoKα","","0.0396","0.0286","","","0.0771","0.0919","","","","","","1.009","","","","has coordinates","182669","2020-10-21","18:00:00",""
"7038876","17.9113","0.0016","11.0853","0.001","14.0293","0.001","90","","118.359","0.005","90","","2451.3","0.4","150","2","150","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C26 H32 Ag N3 O5 -","- C26 H32 Ag N3 O5 -","- C104 H128 Ag4 N12 O20 -","4","1","","Cardoso, João M S; Galvão, Adelino M; Guerreiro, Soraia I.; Leitão, Jorge H; Suarez, Ana C.; Carvalho, M Fernanda N N","Antibacterial activity of silver camphorimine coordination polymers.","Dalton transactions (Cambridge, England : 2003)","2016","45","16","7114","7123","10.1039/c6dt00099a","","","0.71073","MoKα","","0.0448","0.0342","","","0.0642","0.068","","","","","","0.99","","","","has coordinates","182730","2020-10-21","18:00:00",""
"7038877","11.3033","0.001","12.0629","0.0011","20.8248","0.0019","88.506","0.007","87.88","0.006","63.34","0.005","2535.7","0.4","296","2","296","2","","","","","","","","8","P -1","-P 1","2","","Fe3Li2O","","- C42 H74 Cl0 Fe3 Li2 N6 O7 Si0 -","- C42 H74 Fe3 Li2 N6 O7 -","- C84 H148 Fe6 Li4 N12 O14 -","2","1","","Geng, Chao; Peng, Ying; Wang, Lijuan; Roesky, Herbert W.; Liu, Kaipeng","A multimetallic iron(ii)-lithium complex as a catalyst for ε-caprolactone polymerization.","Dalton transactions (Cambridge, England : 2003)","2016","45","40","15779","15782","10.1039/c6dt00078a","","","0.71073","MoKα","","0.088","0.0647","","","0.157","0.1657","","","","","","0.99","","","","has coordinates,has disorder","188214","2020-10-21","18:00:00",""
"7038878","10.4435","0.0012","23.687","0.003","7.681","0.0008","90","","104.11","0.003","90","","1842.8","0.4","296.15","","296.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C21 H17 N5 O4 -","- C21 H17 N5 O4 -","- C84 H68 N20 O16 -","4","1","","Hussain, Navid; Bhardwaj, Vimal K.","The influence of different coordination environments on one-dimensional Cu(ii) coordination polymers for the photo-degradation of organic dyes.","Dalton transactions (Cambridge, England : 2003)","2016","45","18","7697","7707","10.1039/c6dt00612d","","","0.71073","MoKα","","0.1335","0.0596","","","0.105","0.1277","","","","","","1.015","","","","has coordinates","205752","2020-10-21","18:00:00",""
"7038879","8.9275","0.0004","14.7056","0.0008","16.2494","0.0009","94.018","0.002","97.183","0.002","103.84","0.002","2044","0.18","296.15","","296.15","","","","","","","","","5","P -1","-P 1","2","","","","- C33 H43 Cu3 N11 O15 -","- C33 H43 Cu3 N11 O15 -","- C66 H86 Cu6 N22 O30 -","2","1","","Hussain, Navid; Bhardwaj, Vimal K.","The influence of different coordination environments on one-dimensional Cu(ii) coordination polymers for the photo-degradation of organic dyes.","Dalton transactions (Cambridge, England : 2003)","2016","45","18","7697","7707","10.1039/c6dt00612d","","","0.71073","MoKα","","0.0354","0.0301","","","0.0791","0.0825","","","","","","1.036","","","","has coordinates","182671","2020-10-21","18:00:00",""
"7038880","10.2012","0.0005","12.0131","0.0006","14.1568","0.0006","82.402","0.002","82.701","0.002","78.506","0.002","1676.09","0.14","296.15","","296.15","","","","","","","","","6","P -1","-P 1","2","","","","- C27 H27 Cl2 Cu3 N7 O6 -","- C27 H27 Cl2 Cu3 N7 O6 -","- C54 H54 Cl4 Cu6 N14 O12 -","2","1","","Hussain, Navid; Bhardwaj, Vimal K.","The influence of different coordination environments on one-dimensional Cu(ii) coordination polymers for the photo-degradation of organic dyes.","Dalton transactions (Cambridge, England : 2003)","2016","45","18","7697","7707","10.1039/c6dt00612d","","","0.71073","MoKα","","0.0549","0.0499","","","0.1459","0.1487","","","","","","1.05","","","","has coordinates","182671","2020-10-21","18:00:00",""
"7038881","7.3863","0.0004","13.2194","0.0007","30.5186","0.0016","90","","93.022","0.002","90","","2975.8","0.3","296.15","","296.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C19 H21 Cu3 N11 O18 -","- C19 H21 Cu3 N11 O18 -","- C76 H84 Cu12 N44 O72 -","4","1","","Hussain, Navid; Bhardwaj, Vimal K.","The influence of different coordination environments on one-dimensional Cu(ii) coordination polymers for the photo-degradation of organic dyes.","Dalton transactions (Cambridge, England : 2003)","2016","45","18","7697","7707","10.1039/c6dt00612d","","","0.71073","MoKα","","0.1166","0.0682","","","0.1189","0.1332","","","","","","1.102","","","","has coordinates,has disorder","182671","2020-10-21","18:00:00",""
"7038882","9.972","0.001","18.5568","0.0018","13.9793","0.0014","90","","103.826","0.002","90","","2511.9","0.4","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C26 H21 Br Cd N6 O4 -","- C26 H21 Br Cd N6 O4 -","- C104 H84 Br4 Cd4 N24 O16 -","4","1","","Rachuri, Yadagiri; Parmar, Bhavesh; Bisht, Kamal Kumar; Suresh, Eringathodi","Mixed ligand two dimensional Cd(ii)/Ni(ii) metal organic frameworks containing dicarboxylate and tripodal N-donor ligands: Cd(ii) MOF is an efficient luminescent sensor for detection of picric acid in aqueous media.","Dalton transactions (Cambridge, England : 2003)","2016","45","18","7881","7892","10.1039/c6dt00753h","","","0.71073","MoKα","","0.043","0.0341","","","0.0723","0.0755","","","","","","1.027","","","","has coordinates","182680","2020-10-21","18:00:00",""
"7038883","10.478","0.003","13.541","0.004","17.986","0.005","90.459","0.006","90.614","0.006","103.389","0.005","2482.3","1.2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C52 H42 Br2 N12 Ni2 O8 -","- C52 H42 Br2 N12 Ni2 O8 -","- C104 H84 Br4 N24 Ni4 O16 -","2","1","","Rachuri, Yadagiri; Parmar, Bhavesh; Bisht, Kamal Kumar; Suresh, Eringathodi","Mixed ligand two dimensional Cd(ii)/Ni(ii) metal organic frameworks containing dicarboxylate and tripodal N-donor ligands: Cd(ii) MOF is an efficient luminescent sensor for detection of picric acid in aqueous media.","Dalton transactions (Cambridge, England : 2003)","2016","45","18","7881","7892","10.1039/c6dt00753h","","","0.71073","MoKα","","0.21","0.1058","","","0.2463","0.2906","","","","","","1.048","","","","has coordinates","182680","2020-10-21","18:00:00",""
"7038884","23.224","0.003","4.5446","0.0005","23.134","0.003","90","","90","","90","","2441.7","0.5","150","2","150","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C24 H21 N9 O7 -","- C24 H21 N9 O7 -","- C96 H84 N36 O28 -","4","1","","Rachuri, Yadagiri; Parmar, Bhavesh; Bisht, Kamal Kumar; Suresh, Eringathodi","Mixed ligand two dimensional Cd(ii)/Ni(ii) metal organic frameworks containing dicarboxylate and tripodal N-donor ligands: Cd(ii) MOF is an efficient luminescent sensor for detection of picric acid in aqueous media.","Dalton transactions (Cambridge, England : 2003)","2016","45","18","7881","7892","10.1039/c6dt00753h","","","0.71073","MoKα","","0.1036","0.0853","","","0.1722","0.1819","","","","","","1.14","","","","has coordinates","182680","2020-10-21","18:00:00",""
"7038890","16.6832","0.0007","14.4882","0.0009","23.4948","0.0015","90","","91.414","0.003","90","","5677.2","0.6","200","2","200","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C69 H61 N4 O2 P Si2 -","- C69 H61 N4 O2 P Si2 -","- C276 H244 N16 O8 P4 Si8 -","4","0.5","","Chatterjee, Tamal; Lee, Way-Zen; Ravikanth, Mangalampalli","Stabilization of hexa-coordinated P(v) corroles by axial silyloxy groups.","Dalton transactions (Cambridge, England : 2003)","2016","45","18","7815","7822","10.1039/c6dt00842a","","","0.71073","MoKα","","0.0924","0.0702","","","0.1665","0.1837","","","","","","1.04","","","","has coordinates","182664","2020-10-21","18:00:00",""
"7038891","8.327","0.002","9.764","0.003","13.148","0.004","75.049","0.004","78.964","0.004","68.16","0.004","953.2","0.5","296.15","","296.15","","","","","","","","","6","P -1","-P 1","2","","","","- C40 H44 Cl2 Co3 N4 O4 -","- C40 H44 Cl2 Co3 N4 O4 -","- C40 H44 Cl2 Co3 N4 O4 -","1","0.5","","Tang, Jie; Huang, Fuping; Wei, Yi; Bian, Hedong; Zhang, Wei; Liang, Hong","Bovine serum albumin-cobalt(ii) Schiff base complex hybrid: an efficient artificial metalloenzyme for enantioselective sulfoxidation using hydrogen peroxide.","Dalton transactions (Cambridge, England : 2003)","2016","45","19","8061","8072","10.1039/c5dt04507j","","","0.71073","MoKα","","0.036","0.0277","","","0.0821","0.0863","","","","","","1.087","","","","has coordinates","185527","2020-10-21","18:00:00",""
"7038892","20.43184","0.00012","20.43184","0.00012","8.99609","0.00006","90","","90","","120","","3252.37","0.03","100.15","","100.15","","","","","","","","","5","P -3","-P 3","147","","","","- C12 H30 Al O12 P3 -","- C12 H30 Al O12 P3 -","- C72 H180 Al6 O72 P18 -","6","1","","Dębowski, M; Łokaj, K; Wolak, A.; Żurawski, K; Plichta, A.; Zachara, J.; Ostrowski, A.; Florjańczyk, Z","Linear coordination polymers based on aluminum phosphates: synthesis, crystal structure and morphology.","Dalton transactions (Cambridge, England : 2003)","2016","45","19","8008","8020","10.1039/c6dt00153j","","","0.71073","MoKα","","0.0319","0.0262","","","0.0687","0.0717","","","","","","1.031","","","","has coordinates,has disorder","185529","2020-10-21","18:00:00",""
"7038893","8.039","0.004","7.395","0.004","17.739","0.01","90","","99.831","0.009","90","","1039.1","1","293","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C6 H6 Co N8 O3 -","- C6 H6 Co N8 O3 -","- C24 H24 Co4 N32 O12 -","4","1","","Cheng, Min; Ding, You-Song; Gao, En-Qing; Zhang, Zhicheng; Jia, Qin-Xiang","Composition dependence of magnetic relaxation for CoNi chain-based compounds with mixed double azide-tetrazolate bridges.","Dalton transactions (Cambridge, England : 2003)","2016","45","19","8028","8035","10.1039/c6dt00927a","","","0.71073","MoKα","","0.1327","0.0884","","","0.2081","0.2505","","","","","","1.044","","","","has coordinates","185549","2020-10-21","18:00:00",""
"7038894","8.009","0.0016","7.3482","0.0014","17.667","0.003","90","","99.996","0.003","90","","1024","0.3","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C6 H8 Co0.74 N8 Ni0.26 O3 -","- C6 H8 Co0.74 N8 Ni0.26 O3 -","- C24 H32 Co2.96 N32 Ni1.04 O12 -","4","1","","Cheng, Min; Ding, You-Song; Gao, En-Qing; Zhang, Zhicheng; Jia, Qin-Xiang","Composition dependence of magnetic relaxation for CoNi chain-based compounds with mixed double azide-tetrazolate bridges.","Dalton transactions (Cambridge, England : 2003)","2016","45","19","8028","8035","10.1039/c6dt00927a","","","0.71073","MoKα","","0.0402","0.0329","","","0.0853","0.091","","","","","","1.06","","","","has coordinates","185549","2020-10-21","18:00:00",""
"7038895","8.139","0.01","7.312","0.008","17.88","0.02","90","","100.647","0.014","90","","1046","2","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C6 H8 N8 Ni O3 -","- C6 H6 N8 Ni O3 -","- C24 H24 N32 Ni4 O12 -","4","1","","Cheng, Min; Ding, You-Song; Gao, En-Qing; Zhang, Zhicheng; Jia, Qin-Xiang","Composition dependence of magnetic relaxation for CoNi chain-based compounds with mixed double azide-tetrazolate bridges.","Dalton transactions (Cambridge, England : 2003)","2016","45","19","8028","8035","10.1039/c6dt00927a","","","0.71073","MoKα","","0.0806","0.0606","","","0.1588","0.1696","","","","","","1.112","","","","has coordinates","185549","2020-10-21","18:00:00",""
"7038896","25.1439","0.0005","18.3001","0.0003","16.007","0.0003","90","","126.41","0.002","90","","5927.6","0.2","160","1","160","1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C48 H38 Cd2 N9 O9 -","- C48 H38 Cd2 N9 O9 -","- C192 H152 Cd8 N36 O36 -","4","0.5","","Wang, Huarui; Huang, Chao; Han, Yanbing; Shao, Zhichao; Hou, Hongwei; Fan, Yaoting","Central-metal exchange, improved catalytic activity, photoluminescence properties of a new family of d(10) coordination polymers based on the 5,5'-(1H-2,3,5-triazole-1,4-diyl)diisophthalic acid ligand.","Dalton transactions (Cambridge, England : 2003)","2016","45","18","7776","7785","10.1039/c6dt00726k","","","1.54178","CuKα","","0.1019","0.0933","","","0.2514","0.2671","","","","","","1.043","","","","has coordinates,has disorder","182682","2020-10-21","18:00:00",""
"7038897","18.944","0.004","23.156","0.005","14.411","0.003","90","","126.63","0.03","90","","5073","3","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C43 H39 Cd3 N9 O18 -","- C43 H31 Cd3 N9 O18 -","- C172 H124 Cd12 N36 O72 -","4","0.5","","Wang, Huarui; Huang, Chao; Han, Yanbing; Shao, Zhichao; Hou, Hongwei; Fan, Yaoting","Central-metal exchange, improved catalytic activity, photoluminescence properties of a new family of d(10) coordination polymers based on the 5,5'-(1H-2,3,5-triazole-1,4-diyl)diisophthalic acid ligand.","Dalton transactions (Cambridge, England : 2003)","2016","45","18","7776","7785","10.1039/c6dt00726k","","","0.71073","MoKα","","0.0842","0.0748","","","0.206","0.2208","","","","","","1.201","","","","has coordinates","182682","2020-10-21","18:00:00",""
"7038898","7.7476","0.0015","18.393","0.004","18.753","0.004","90","","101.72","0.03","90","","2616.6","1","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C21 H16 Cd2 N4 O14 -","- C21 H16 Cd2 N4 O14 -","- C84 H64 Cd8 N16 O56 -","4","1","","Wang, Huarui; Huang, Chao; Han, Yanbing; Shao, Zhichao; Hou, Hongwei; Fan, Yaoting","Central-metal exchange, improved catalytic activity, photoluminescence properties of a new family of d(10) coordination polymers based on the 5,5'-(1H-2,3,5-triazole-1,4-diyl)diisophthalic acid ligand.","Dalton transactions (Cambridge, England : 2003)","2016","45","18","7776","7785","10.1039/c6dt00726k","","","0.71073","MoKα","","0.1164","0.0829","","","0.2021","0.2348","","","","","","1.159","","","","has coordinates","182682","2020-10-21","18:00:00",""
"7038899","8.0098","0.0016","13.813","0.003","22.126","0.004","90","","98.25","0.03","90","","2422.7","0.9","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H13 N3 O9 Zn -","- C18 H9 N3 O9 Zn -","- C72 H36 N12 O36 Zn4 -","4","1","","Wang, Huarui; Huang, Chao; Han, Yanbing; Shao, Zhichao; Hou, Hongwei; Fan, Yaoting","Central-metal exchange, improved catalytic activity, photoluminescence properties of a new family of d(10) coordination polymers based on the 5,5'-(1H-2,3,5-triazole-1,4-diyl)diisophthalic acid ligand.","Dalton transactions (Cambridge, England : 2003)","2016","45","18","7776","7785","10.1039/c6dt00726k","","","0.71073","MoKα","","0.1069","0.0781","","","0.1888","0.205","","","","","","1.078","","","","has coordinates","182682","2020-10-21","18:00:00",""
"7038900","8.2275","0.0016","11.413","0.002","14.634","0.003","72.56","0.03","86.08","0.03","74.18","0.03","1261.2","0.5","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C25 H21 N4 O10 Zn -","- C25 H19 N4 O10 Zn -","- C50 H38 N8 O20 Zn2 -","2","1","","Wang, Huarui; Huang, Chao; Han, Yanbing; Shao, Zhichao; Hou, Hongwei; Fan, Yaoting","Central-metal exchange, improved catalytic activity, photoluminescence properties of a new family of d(10) coordination polymers based on the 5,5'-(1H-2,3,5-triazole-1,4-diyl)diisophthalic acid ligand.","Dalton transactions (Cambridge, England : 2003)","2016","45","18","7776","7785","10.1039/c6dt00726k","","","0.71073","MoKα","","0.0613","0.0567","","","0.1581","0.1655","","","","","","1.134","","","","has coordinates","182682","2020-10-21","18:00:00",""
"7038901","15.6032","0.0015","18.1925","0.0016","27.533","0.003","83.987","0.003","88.579","0.003","71.944","0.002","7389.5","1.3","223","2","223","2","","","","","","","","5","P 1","P 1","1","","","","- C157 H109 N15 O6 Zn3 -","- C157 H109 N15 O6 Zn3 -","- C314 H218 N30 O12 Zn6 -","2","2","","Li, Li; Hu, Chuanjiang; Shi, Bo; Wang, Yong","Rationalization of chirality induction and inversion in a zinc trisporphyrinate by a chiral monoalcohol","Dalton Transactions","2016","45","19","8073","8080","10.1039/c6dt00570e","","","0.71073","MoKα","","0.0829","0.0505","","","0.119","0.1303","","","","","","1.016","","","","has coordinates","209625","2020-10-21","18:00:00",""
"7038902","26.7651","0.001","19.1607","0.001","31.6947","0.0012","90","","90","","90","","16254.2","1.2","293","2","293","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C108 H136 Eu6 N18 O58 Zn6 -","- C108 H136 Eu6 N18 O58 Zn6 -","- C432 H544 Eu24 N72 O232 Zn24 -","4","0.5","","Song, Xue-Qin; Liu, Pan-Pan; Liu, Yuan-Ang; Zhou, Jing-Jing; Wang, Xiao-Long","Two dodecanuclear heterometallic [Zn6Ln6] clusters constructed by a multidentate salicylamide salen-like ligand: synthesis, structure, luminescence and magnetic properties.","Dalton transactions (Cambridge, England : 2003)","2016","45","19","8154","8163","10.1039/c6dt00212a","","","0.71073","MoKα","","0.1715","0.1042","","","0.2349","0.2755","","","","","","1.036","","","","has coordinates","185532","2020-10-21","18:00:00",""
"7038903","26.6656","0.0008","19.1031","0.0006","31.7191","0.0008","90","","90","","90","","16157.6","0.8","293","2","293","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C108 H136 Dy6 N18 O58 Zn6 -","- C108 H136 Dy6 N18 O58 Zn6 -","- C432 H544 Dy24 N72 O232 Zn24 -","4","0.5","","Song, Xue-Qin; Liu, Pan-Pan; Liu, Yuan-Ang; Zhou, Jing-Jing; Wang, Xiao-Long","Two dodecanuclear heterometallic [Zn6Ln6] clusters constructed by a multidentate salicylamide salen-like ligand: synthesis, structure, luminescence and magnetic properties.","Dalton transactions (Cambridge, England : 2003)","2016","45","19","8154","8163","10.1039/c6dt00212a","","","0.71","MoKα","","0.1077","0.0711","","","0.1533","0.1699","","","","","","1.015","","","","has coordinates","185532","2020-10-21","18:00:00",""
"7038904","18.4039","0.0002","18.4039","0.0002","46.9176","0.0012","90","","90","","120","","13762.1","0.4","100","2","100","2","","","","","","","","4","R -3 m :H","-R 3 2""","166","","","","- C28 H16 Cu2 O10 -","- C28.3 H16.22 Cu2 O10 -","- C254.7 H145.98 Cu18 O90 -","9","0.25","","Song, Chengling; Liu, Huimin; Jiao, Jingjing; Bai, Dongjie; Zhou, Wei; Yildirim, Taner; He, Yabing","High methane storage and working capacities in a NbO-type metal-organic framework.","Dalton transactions (Cambridge, England : 2003)","2016","45","18","7559","7562","10.1039/c5dt05045f","","","1.54184","CuKα","","0.0765","0.07","","","0.2456","0.2617","","","","","","1.436","","","","has coordinates,has disorder","182668","2020-10-21","18:00:00",""
"7038905","10.1136","0.0014","10.1136","0.0014","6.7485","0.0013","90","","90","","120","","597.79","0.16","293","2","293","2","","","","","","","","4","P 63 m c","P 6c -2c","186","","Na3Y3(BO3)4","","- B4 Na3 O12 Y3 -","- B4 Na3 O12 Y3 -","- B8 Na6 O24 Y6 -","2","0.166667","","Shan, Faxian; Kang, Lei; Zhang, Guochun; Yao, Jiyong; Lin, Zheshuai; Xia, Mingjun; Zhang, Xinyuan; Fu, Ying; Wu, Yicheng","Na3Y3(BO3)4: a new noncentrosymmetric borate with an open-framework structure.","Dalton transactions (Cambridge, England : 2003)","2016","45","17","7205","7208","10.1039/c6dt00950f","","","0.71073","MoKα","","0.0596","0.0481","","","0.1097","0.1143","","","","","","0.906","","","","has coordinates","182747","2020-10-21","18:00:00",""
"7038906","14.772","0.002","13.618","0.002","19.448","0.003","90","","90.523","0.003","90","","3912.1","1","153","","153","","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C41 H31 B Cl6 D2 F2 N2 O2 -","- C41 H30.5 B Cl6 D2 F2 N2 O2 -","- C164 H122 B4 Cl24 D8 F8 N8 O8 -","4","1","","Katayama, Koichi; Hirotsu, Masakazu; Ito, Akitaka; Teki, Yoshio","Fluorescence behaviour of an anthracene-BODIPY system affected by spin states of a dioxolene-cobalt centre.","Dalton transactions (Cambridge, England : 2003)","2016","45","25","10165","10172","10.1039/c6dt00864j","","","0.710747","MoKα","","0.1108","0.0754","","","0.1973","0.2247","","","","","","1.099","","","","has coordinates,has disorder","185365","2020-10-21","18:00:00",""
"7038907","30.0687","0.0006","26.6625","0.0005","26.2115","0.0005","90","","117.373","0.001","90","","18661.1","0.6","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C132 H192 Cu29 N60 O34 -","- C132 H159 Cu29 N60 O34 -","- C528 H636 Cu116 N240 O136 -","4","0.5","","Ahmed, Basil M.; Calco, Brice; Mezei, Gellert","Tuning the structure and solubility of nanojars by peripheral ligand substitution, leading to unprecedented liquid-liquid extraction of the carbonate ion from water into aliphatic solvents.","Dalton transactions (Cambridge, England : 2003)","2016","45","20","8327","8339","10.1039/c6dt00847j","","","0.71073","MoKα","","0.1201","0.0556","","","0.118","0.1481","","","","","","1.063","","","","has coordinates,has disorder","185429","2020-10-21","18:00:00",""
"7038908","22.5542","0.0003","23.0479","0.0003","26.4003","0.0003","90.645","0.001","102.627","0.001","118.805","0.001","11625.1","0.3","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C188 H294 Cu30 N62 O34 -","- C174.5 H260 Cu30 N62 O34 -","- C349 H520 Cu60 N124 O68 -","2","1","","Ahmed, Basil M.; Calco, Brice; Mezei, Gellert","Tuning the structure and solubility of nanojars by peripheral ligand substitution, leading to unprecedented liquid-liquid extraction of the carbonate ion from water into aliphatic solvents.","Dalton transactions (Cambridge, England : 2003)","2016","45","20","8327","8339","10.1039/c6dt00847j","","","0.71073","MoKα","","0.0754","0.0483","","","0.1296","0.1508","","","","","","1.033","","","","has coordinates,has disorder","185429","2020-10-21","18:00:00",""
"7038909","12.8325","0.0008","26.6088","0.0014","7.2481","0.0004","90","","90","","90","","2474.9","0.2","296","2","296","2","","","","","","","","5","F d d 2","F 2 -2d","43","","","","- C6 H4 Cu N O2 -","- C6 H4 Cu N O2 -","- C96 H64 Cu16 N16 O32 -","16","1","","Zhou, Jian; Tan, Xiaofeng; Hu, Feilong; Zou, Hua-Hong; Almeida Paz, Filipe A.; Fu, Lianshe; Zhao, Rongqing","A 3-D net based on weak metallophilic (CuCu) interactions.","Dalton transactions (Cambridge, England : 2003)","2016","45","28","11292","11296","10.1039/c6dt00883f","","","0.71073","MoKα","","0.0489","0.0407","","","0.0789","0.0875","","","","","","1.069","","","","has coordinates","185506","2020-10-21","18:00:00",""
"7038910","14.854","0.009","5.972","0.003","21.848","0.013","90","","98.216","0.007","90","","1918.2","1.9","273","","273","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C22 H15 As Br2 -","- C22 H15 As Br2 -","- C88 H60 As4 Br8 -","4","2","","Ishidoshiro, Makoto; Imoto, Hiroaki; Tanaka, Susumu; Naka, Kensuke","An experimental study on arsoles: structural variation, optical and electronic properties, and emission behavior.","Dalton transactions (Cambridge, England : 2003)","2016","45","21","8717","8723","10.1039/c6dt01010e","","","0.71075","MoKα","","0.1331","0.062","","","0.0716","0.089","","","","","","1","","","","has coordinates","185441","2020-10-21","18:00:00",""
"7038911","12.083","0.011","5.892","0.005","14.894","0.013","90","","110.275","0.008","90","","994.7","1.5","273","","273","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C24 H21 As O2 -","- C24 H21 As O2 -","- C48 H42 As2 O4 -","2","1","","Ishidoshiro, Makoto; Imoto, Hiroaki; Tanaka, Susumu; Naka, Kensuke","An experimental study on arsoles: structural variation, optical and electronic properties, and emission behavior.","Dalton transactions (Cambridge, England : 2003)","2016","45","21","8717","8723","10.1039/c6dt01010e","","","0.71075","MoKα","","0.0488","0.044","","","0.1123","0.1158","","","","","","1.083","","","","has coordinates","185441","2020-10-21","18:00:00",""
"7038912","16.513","0.009","6.169","0.003","22.038","0.013","90","","105.993","0.006","90","","2158","2","273","","273","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C26 H27 As N2 -","- C26 H27 As N2 -","- C104 H108 As4 N8 -","4","1","","Ishidoshiro, Makoto; Imoto, Hiroaki; Tanaka, Susumu; Naka, Kensuke","An experimental study on arsoles: structural variation, optical and electronic properties, and emission behavior.","Dalton transactions (Cambridge, England : 2003)","2016","45","21","8717","8723","10.1039/c6dt01010e","","","0.71075","MoKα","","0.0956","0.0541","","","0.1041","0.1224","","","","","","1.065","","","","has coordinates","185441","2020-10-21","18:00:00",""
"7038913","17.574","0.004","14.57","0.003","16.836","0.004","90","","90","","90","","4310.9","1.7","100","2","100","2","","","","","","","","6","P n n 2","P 2 -2n","34","","","","- C76 H42 B2 F48 Mg N6 -","- C76 H42 B2 F48 Mg N6 -","- C152 H84 B4 F96 Mg2 N12 -","2","0.5","","Levason, William; Pugh, David; Purkis, Jamie M.; Reid, Gillian","Complexes of Group 2 dications with soft thioether- and selenoether-containing macrocycles.","Dalton transactions (Cambridge, England : 2003)","2016","45","18","7900","7911","10.1039/c6dt00808a","","","0.71075","MoKα","","0.0805","0.0526","","","0.1306","0.1451","","","","","","1.014","","","","has coordinates,has disorder","182676","2020-10-21","18:00:00",""
"7038914","12.778","0.003","13.713","0.004","14.08","0.004","84.199","0.011","71.851","0.009","85.416","0.011","2329.4","1.1","100","2","100","2","","","","","","","","8","P 1","P 1","1","","","","- C84 H69 B2 F48 Mg N O6 S2 -","- C84 H65 B2 F48 Mg N O6 S2 -","- C84 H65 B2 F48 Mg N O6 S2 -","1","1","","Levason, William; Pugh, David; Purkis, Jamie M.; Reid, Gillian","Complexes of Group 2 dications with soft thioether- and selenoether-containing macrocycles.","Dalton transactions (Cambridge, England : 2003)","2016","45","18","7900","7911","10.1039/c6dt00808a","","","0.71075","MoKα","","0.1374","0.0815","","","0.1926","0.2281","","","","","","1.018","","","","has coordinates,has disorder","182676","2020-10-21","18:00:00",""
"7038915","12.792","0.002","13.802","0.002","13.953","0.002","83.273","0.007","73.413","0.006","84.567","0.007","2339.9","0.6","100","2","100","2","","","","","","","","8","P 1","P 1","1","","","","- C84 H69 B2 F48 Mg N O6 Se2 -","- C84 H65 B2 F48 Mg N O6 Se2 -","- C84 H65 B2 F48 Mg N O6 Se2 -","1","1","","Levason, William; Pugh, David; Purkis, Jamie M.; Reid, Gillian","Complexes of Group 2 dications with soft thioether- and selenoether-containing macrocycles.","Dalton transactions (Cambridge, England : 2003)","2016","45","18","7900","7911","10.1039/c6dt00808a","","","0.71075","MoKα","","0.1101","0.0782","","","0.1964","0.218","","","","","","0.94","","","","has coordinates,has disorder","182676","2020-10-21","18:00:00",""
"7038916","15.691","0.003","15.691","0.003","18.386","0.005","90","","90","","90","","4526.8","1.7","100","2","100","2","","","","","","","","6","P 4/n n c","-P 4a 2bc","126","","","","- C80 H48 B2 Ca F48 N8 -","- C80 H48 B2 Ca F48 N8 -","- C160 H96 B4 Ca2 F96 N16 -","2","","","Levason, William; Pugh, David; Purkis, Jamie M.; Reid, Gillian","Complexes of Group 2 dications with soft thioether- and selenoether-containing macrocycles.","Dalton transactions (Cambridge, England : 2003)","2016","45","18","7900","7911","10.1039/c6dt00808a","","","0.71075","MoKα","","0.1184","0.0824","","","0.2632","0.2889","","","","","","1.065","","","","has coordinates,has disorder","182676","2020-10-21","18:00:00",""
"7038917","18.707","0.003","18.139","0.003","25.768","0.004","90","","97.207","0.004","90","","8675","2","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C80 H54 B2 Ca F48 N2 O6 -","- C80 H54 B2 Ca F48 N2 O6 -","- C320 H216 B8 Ca4 F192 N8 O24 -","4","0.5","","Levason, William; Pugh, David; Purkis, Jamie M.; Reid, Gillian","Complexes of Group 2 dications with soft thioether- and selenoether-containing macrocycles.","Dalton transactions (Cambridge, England : 2003)","2016","45","18","7900","7911","10.1039/c6dt00808a","","","0.71073","MoKα","","0.1297","0.0769","","","0.2007","0.2358","","","","","","1.048","","","","has coordinates,has disorder","182676","2020-10-21","18:00:00",""
"7038918","18.674","0.003","18.249","0.002","26.28","0.004","90","","97.626","0.002","90","","8877","2","100","2","100","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C80 H54 B2 Ca F48 N2 O2 S4 -","- C80 H54 B2 Ca F48 N2 O2 S4 -","- C320 H216 B8 Ca4 F192 N8 O8 S16 -","4","0.5","","Levason, William; Pugh, David; Purkis, Jamie M.; Reid, Gillian","Complexes of Group 2 dications with soft thioether- and selenoether-containing macrocycles.","Dalton transactions (Cambridge, England : 2003)","2016","45","18","7900","7911","10.1039/c6dt00808a","","","0.71075","MoKα","","0.1199","0.0885","","","0.2401","0.2718","","","","","","1.043","","","","has coordinates,has disorder","182676","2020-10-21","18:00:00",""
"7038919","13.201","0.002","13.554","0.003","14.0189","0.0017","77.162","0.009","63.267","0.007","87.062","0.01","2180.8","0.7","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C80 H54 B2 Ca F48 N2 O4 Se2 -","- C80 H54 B2 Ca F48 N2 O4 Se2 -","- C80 H54 B2 Ca F48 N2 O4 Se2 -","1","0.5","","Levason, William; Pugh, David; Purkis, Jamie M.; Reid, Gillian","Complexes of Group 2 dications with soft thioether- and selenoether-containing macrocycles.","Dalton transactions (Cambridge, England : 2003)","2016","45","18","7900","7911","10.1039/c6dt00808a","","","0.71073","MoKα","","0.1006","0.0689","","","0.1682","0.1881","","","","","","1.032","","","","has coordinates,has disorder","182676","2020-10-21","18:00:00",""
"7038920","17.101","0.012","17.138","0.013","20.115","0.015","111.727","0.009","94.775","0.009","116.229","0.006","4692","6","100","2","100","2","","","","","","","","9","P -1","-P 1","2","","","","- C87 H58 B2 Ca Cl2 F48 N2 O4 S2 -","- C87 H58 B2 Ca Cl2 F48 N2 O4 S2 -","- C174 H116 B4 Ca2 Cl4 F96 N4 O8 S4 -","2","1","","Levason, William; Pugh, David; Purkis, Jamie M.; Reid, Gillian","Complexes of Group 2 dications with soft thioether- and selenoether-containing macrocycles.","Dalton transactions (Cambridge, England : 2003)","2016","45","18","7900","7911","10.1039/c6dt00808a","","","0.71075","MoKα","","0.3336","0.0912","","","0.1458","0.2368","","","","","","0.917","","","","has coordinates,has disorder","182676","2020-10-21","18:00:00",""
"7038921","15.892","0.003","15.892","0.003","18.29","0.005","90","","90","","90","","4619.2","1.8","100","2","100","2","","","","","","","","6","P 4/n n c","-P 4a 2bc","126","","","","- C80 H48 B2 F48 N8 Sr -","- C80 H48 B2 F48 N8 Sr -","- C160 H96 B4 F96 N16 Sr2 -","2","","","Levason, William; Pugh, David; Purkis, Jamie M.; Reid, Gillian","Complexes of Group 2 dications with soft thioether- and selenoether-containing macrocycles.","Dalton transactions (Cambridge, England : 2003)","2016","45","18","7900","7911","10.1039/c6dt00808a","","","0.71073","MoKα","","0.106","0.0768","","","0.1984","0.218","","","","","","1.024","","","","has coordinates,has disorder","182676","2020-10-21","18:00:00",""
"7038922","13.1253","0.0007","13.7167","0.0006","13.8415","0.0008","76.537","0.004","63.147","0.005","87.41","0.004","2157","0.2","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C80 H54 B2 F48 N2 O4 S2 Sr -","- C80 H54 B2 F48 N2 O4 S2 Sr -","- C80 H54 B2 F48 N2 O4 S2 Sr -","1","0.5","","Levason, William; Pugh, David; Purkis, Jamie M.; Reid, Gillian","Complexes of Group 2 dications with soft thioether- and selenoether-containing macrocycles.","Dalton transactions (Cambridge, England : 2003)","2016","45","18","7900","7911","10.1039/c6dt00808a","","","0.71075","MoKα","","0.1021","0.0735","","","0.1851","0.2026","","","","","","1.043","","","","has coordinates,has disorder","182676","2020-10-21","18:00:00",""
"7038923","13.1806","0.0018","13.588","0.002","13.9654","0.0017","77.134","0.006","63.202","0.005","87.516","0.007","2171.8","0.5","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C80 H54 B2 F48 N2 O4 Se2 Sr -","- C80 H54 B2 F48 N2 O4 Se2 Sr -","- C80 H54 B2 F48 N2 O4 Se2 Sr -","1","0.5","","Levason, William; Pugh, David; Purkis, Jamie M.; Reid, Gillian","Complexes of Group 2 dications with soft thioether- and selenoether-containing macrocycles.","Dalton transactions (Cambridge, England : 2003)","2016","45","18","7900","7911","10.1039/c6dt00808a","","","0.71075","MoKα","","0.0811","0.0565","","","0.1504","0.1686","","","","","","1.034","","","","has coordinates,has disorder","182676","2020-10-21","18:00:00",""
"7038924","12.2148","0.0003","18.3417","0.0004","21.7783","0.0015","85.024","0.006","82.079","0.006","88.732","0.006","4814.2","0.4","100","2","100","2","","","","","","","","9","P -1","-P 1","2","","","","- C83.75 H60.5 B2 Ba Cl1.5 F48 N O6 Se2 -","- C83.75 H60.5 B2 Ba Cl1.5 F48 N O6 Se2 -","- C167.5 H121 B4 Ba2 Cl3 F96 N2 O12 Se4 -","2","1","","Levason, William; Pugh, David; Purkis, Jamie M.; Reid, Gillian","Complexes of Group 2 dications with soft thioether- and selenoether-containing macrocycles.","Dalton transactions (Cambridge, England : 2003)","2016","45","18","7900","7911","10.1039/c6dt00808a","","","0.71075","MoKα","","0.1222","0.0975","","","0.2661","0.2893","","","","","","1.036","","","","has coordinates,has disorder","182676","2020-10-21","18:00:00",""
"7038925","12.2899","0.0005","16.2558","0.0006","13.4995","0.0005","90","","114.644","0.001","90","","2451.31","0.16","173","2","173","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C43 H34 Cl4 F12 N8 O2 P2 Ru2 -","- C43 H32 Cl4 F12 N8 O2 P2 Ru2 -","- C86 H64 Cl8 F24 N16 O4 P4 Ru4 -","2","0.5","","Su, Xianlong; Zeng, Rongqing; Li, Xianghong; Dang, Weijie; Yao, Kaiyue; Tang, Dingguo","Cycloruthenated complexes: pH-dependent reversible cyclometallation and reactions with nitrite at octahedral ruthenium centers.","Dalton transactions (Cambridge, England : 2003)","2016","45","17","7450","7459","10.1039/c6dt00576d","","","0.71073","MoKα","","0.0472","0.0332","","","0.0709","0.0767","","","","","","1.015","","","","has coordinates","182738","2020-10-21","18:00:00",""
"7038926","4.5346","0.0001","20.2191","0.0006","11.4766","0.0003","90","","97.34","0.003","90","","1043.62","0.05","150","","150","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C7 H7 N3 O7 Pb -","- C7 H7 N3 O7 Pb -","- C28 H28 N12 O28 Pb4 -","4","1","","Naga Babu, Chatla; Suresh, Paladugu; Srinivas, Katam; Sathyanarayana, Arruri; Sampath, Natarajan; Prabusankar, Ganesan","Catalytically active lead(ii)-imidazolium coordination assemblies with diversified lead(ii) coordination geometries.","Dalton transactions (Cambridge, England : 2003)","2016","45","19","8164","8173","10.1039/c5dt04409j","","","1.54184","CuKα","","0.0733","0.0726","","","0.1886","0.1909","","","","","","1.074","","","","has coordinates","185531","2020-10-21","18:00:00",""
"7038927","31.6333","0.0007","19.2972","0.0005","19.7693","0.0005","90","","90","","90","","12067.9","0.5","150","","150","","","","","","","","","7","P n m a","-P 2ac 2n","62","","","","- C84 H64 Br4.74 Cl2.29 N18.5 O34.95 Pb6 -","- C84 H64 Br4.75 Cl2.27 N18.5 O34.95 Pb6 -","- C336 H256 Br19 Cl9.08 N74 O139.8 Pb24 -","4","0.5","","Naga Babu, Chatla; Suresh, Paladugu; Srinivas, Katam; Sathyanarayana, Arruri; Sampath, Natarajan; Prabusankar, Ganesan","Catalytically active lead(ii)-imidazolium coordination assemblies with diversified lead(ii) coordination geometries.","Dalton transactions (Cambridge, England : 2003)","2016","45","19","8164","8173","10.1039/c5dt04409j","","","1.54184","CuKα","","0.0663","0.0475","","","0.1288","0.141","","","","","","1.011","","","","has coordinates,has disorder","185531","2020-10-21","18:00:00",""
"7038928","14.0229","0.0006","24.1691","0.0007","19.4086","0.0007","90","","109.221","0.004","90","","6211.3","0.4","293","","293","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C44 H44 N14 O30 Pb4 -","- C44 H44 N14 O30 Pb4 -","- C176 H176 N56 O120 Pb16 -","4","1","","Naga Babu, Chatla; Suresh, Paladugu; Srinivas, Katam; Sathyanarayana, Arruri; Sampath, Natarajan; Prabusankar, Ganesan","Catalytically active lead(ii)-imidazolium coordination assemblies with diversified lead(ii) coordination geometries.","Dalton transactions (Cambridge, England : 2003)","2016","45","19","8164","8173","10.1039/c5dt04409j","","","1.54184","CuKα","","0.0946","0.0712","","","0.1785","0.1985","","","","","","0.951","","","","has coordinates,has disorder","185531","2020-10-21","18:00:00",""
"7038929","7.3476","0.0004","17.9122","0.0008","12.071","0.0006","90","","90","","90","","1588.68","0.14","150","","150","","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C17 H11 Cl N2 O4 Pb -","- C17 H11 Cl N2 O4 Pb -","- C68 H44 Cl4 N8 O16 Pb4 -","4","0.5","","Naga Babu, Chatla; Suresh, Paladugu; Srinivas, Katam; Sathyanarayana, Arruri; Sampath, Natarajan; Prabusankar, Ganesan","Catalytically active lead(ii)-imidazolium coordination assemblies with diversified lead(ii) coordination geometries.","Dalton transactions (Cambridge, England : 2003)","2016","45","19","8164","8173","10.1039/c5dt04409j","","","1.54184","CuKα","","0.0583","0.0514","","","0.1356","0.1469","","","","","","1.058","","","","has coordinates","185531","2020-10-21","18:00:00",""
"7038930","17.2038","0.0009","11.4575","0.0006","8.4614","0.0004","90","","90","","90","","1667.85","0.15","150","","150","","","","","","","","","5","C m c 21","C 2c -2","36","","","","- C17 H11 N3 O7 Pb -","- C17 H11 N3 O7 Pb -","- C68 H44 N12 O28 Pb4 -","4","0.5","","Naga Babu, Chatla; Suresh, Paladugu; Srinivas, Katam; Sathyanarayana, Arruri; Sampath, Natarajan; Prabusankar, Ganesan","Catalytically active lead(ii)-imidazolium coordination assemblies with diversified lead(ii) coordination geometries.","Dalton transactions (Cambridge, England : 2003)","2016","45","19","8164","8173","10.1039/c5dt04409j","","","1.5418","CuKα","","0.043","0.043","","","0.1149","0.1149","","","","","","1.046","","","","has coordinates","185531","2020-10-21","18:00:00",""
"7038931","11.2765","0.0005","13.9075","0.0006","20.3011","0.0009","90.536","0.001","98.078","0.001","97.157","0.002","3126.5","0.2","100","2","100","2","","","","","","","","8","P -1","-P 1","2","Sc3N@D5h-C80-W(CO)3(dppe)","Sc3N@D5h-C80-W(CO)3(dppe)","","- C110 H24 N O3 P2 S2 Sc3 W -","- C110 H24 N O3 P2 S2 Sc3 W -","- C220 H48 N2 O6 P4 S4 Sc6 W2 -","2","1","","Bao, Lipiao; Liu, Bin; Li, Xiaofang; Pan, Changwang; Xie, Yunpeng; Lu, Xing","W(CO)3(Ph2PC2H4PPh2)(η(2)-Sc3N@Ih-C80/Sc3N@D5h-C80): regioselective synthesis and crystallographic characterization of air-stable mononuclear complexes of endohedral fullerenes.","Dalton transactions (Cambridge, England : 2003)","2016","45","29","11606","11610","10.1039/c6dt00790b","","","0.82653","synchrotron","","0.093","0.0873","","","0.2335","0.237","","","","","","1.113","","","","has coordinates","185479","2020-10-21","18:00:00",""
"7038932","11.245","0.0001","20.4936","0.0002","27.7203","0.0003","90","","96.03","","90","","6352.81","0.11","100","2","100","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","Sc3N@Ih-C80-W(CO)3(dppe)","Sc3N@Ih-C80-W(CO)3(dppe)","","- C110 H24 N O3 P2 S2 Sc3 W -","- C110 H24 N O3 P2 S2 Sc3 W -","- C440 H96 N4 O12 P8 S8 Sc12 W4 -","4","1","","Bao, Lipiao; Liu, Bin; Li, Xiaofang; Pan, Changwang; Xie, Yunpeng; Lu, Xing","W(CO)3(Ph2PC2H4PPh2)(η(2)-Sc3N@Ih-C80/Sc3N@D5h-C80): regioselective synthesis and crystallographic characterization of air-stable mononuclear complexes of endohedral fullerenes.","Dalton transactions (Cambridge, England : 2003)","2016","45","29","11606","11610","10.1039/c6dt00790b","","","0.82653","synchrotron","","0.0568","0.0563","","","0.1468","0.1472","","","","","","1.036","","","","has coordinates","185479","2020-10-21","18:00:00",""
"7038933","9.7933","0.0008","27.53","0.002","15.9433","0.0013","90","","97.873","0.001","90","","4257.9","0.6","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C50 H48 O2 P2 Pd S2 -","- C50 H48 O2 P2 Pd S2 -","- C200 H192 O8 P8 Pd4 S8 -","4","1","","Martyanov, K. A.; Cherkasov, V. K.; Abakumov, G. A.; Samsonov, M. A.; Khrizanforova, V. V.; Budnikova, Y. H.; Kuropatov, V. A.","New sterically-hindered o-quinones annelated with metal-dithiolates: regiospecificity in oxidative addition reactions of a bifacial ligand to the Pd and Pt complexes.","Dalton transactions (Cambridge, England : 2003)","2016","45","17","7400","7405","10.1039/c6dt00769d","","","0.71073","MoKα","","0.0334","0.028","","","0.0646","0.0663","","","","","","1.061","","","","has coordinates,has disorder","182742","2020-10-21","18:00:00",""
"7038934","10.76","0.002","12.877","0.003","17.948","0.004","95.401","0.003","99.297","0.003","104.257","0.003","2355.1","0.9","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C52 H52 O2.5 P2 Pd S2 -","- C52 H52 O2.5 P2 Pd S2 -","- C104 H104 O5 P4 Pd2 S4 -","2","1","","Martyanov, K. A.; Cherkasov, V. K.; Abakumov, G. A.; Samsonov, M. A.; Khrizanforova, V. V.; Budnikova, Y. H.; Kuropatov, V. A.","New sterically-hindered o-quinones annelated with metal-dithiolates: regiospecificity in oxidative addition reactions of a bifacial ligand to the Pd and Pt complexes.","Dalton transactions (Cambridge, England : 2003)","2016","45","17","7400","7405","10.1039/c6dt00769d","","","0.71073","MoKα","","0.0785","0.0563","","","0.1361","0.1448","","","","","","1.05","","","","has coordinates,has disorder","182742","2020-10-21","18:00:00",""
"7038935","9.8288","0.0001","27.6805","0.0003","16.0758","0.0002","90","","98.041","0.001","90","","4330.68","0.08","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C50 H48 O2 P2 Pt S2 -","- C50 H48 O2 P2 Pt S2 -","- C200 H192 O8 P8 Pt4 S8 -","4","1","","Martyanov, K. A.; Cherkasov, V. K.; Abakumov, G. A.; Samsonov, M. A.; Khrizanforova, V. V.; Budnikova, Y. H.; Kuropatov, V. A.","New sterically-hindered o-quinones annelated with metal-dithiolates: regiospecificity in oxidative addition reactions of a bifacial ligand to the Pd and Pt complexes.","Dalton transactions (Cambridge, England : 2003)","2016","45","17","7400","7405","10.1039/c6dt00769d","","","0.71073","MoKα","","0.0263","0.0233","","","0.051","0.0519","","","","","","1.121","","","","has coordinates","182742","2020-10-21","18:00:00",""
"7038936","9.738","0.0003","18.6367","0.0005","15.4077","0.0005","90","","107.382","0.003","90","","2668.56","0.15","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C25 H29 Cd Cl2 N3 O5 -","- C25 H29 Cd Cl2 N3 O5 -","- C100 H116 Cd4 Cl8 N12 O20 -","4","1","","Lu, Hong-Lin; Wang, Wei-Kang; Tan, Xing-Xing; Luo, Xiao-Fei; Zhang, Mao-Lin; Zhang, Mei; Zang, Shuang-Quan","A new quinoline-based fluorescent probe for Cd(2+) and Hg(2+) with an opposite response in a 100% aqueous environment and live cell imaging.","Dalton transactions (Cambridge, England : 2003)","2016","45","19","8174","8181","10.1039/c6dt00362a","","","0.71073","MoKα","","0.0567","0.0375","","","0.0749","0.0818","","","","","","0.965","","","","has coordinates","185535","2020-10-21","18:00:00",""
"7038937","12.662","0.0003","11.8788","0.0002","18.7193","0.0004","90","","98.172","0.002","90","","2786.97","0.1","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C25 H29 Cl2 Hg N3 O5 -","- C25 H29 Cl2 Hg N3 O5 -","- C100 H116 Cl8 Hg4 N12 O20 -","4","1","","Lu, Hong-Lin; Wang, Wei-Kang; Tan, Xing-Xing; Luo, Xiao-Fei; Zhang, Mao-Lin; Zhang, Mei; Zang, Shuang-Quan","A new quinoline-based fluorescent probe for Cd(2+) and Hg(2+) with an opposite response in a 100% aqueous environment and live cell imaging.","Dalton transactions (Cambridge, England : 2003)","2016","45","19","8174","8181","10.1039/c6dt00362a","","","0.71073","MoKα","","0.0558","0.0395","","","0.0941","0.0999","","","","","","1.083","","","","has coordinates,has disorder","185535","2020-10-21","18:00:00",""
"7038938","12.01","0.002","14.425","0.003","23.624","0.005","104.16","0.03","91.36","0.03","104.84","0.03","3819.7","1.5","113","2","113","2","","","","","","","","5","P -1","-P 1","2","","","","- C94 H70 N4 O12 Tb2 -","- C94 H70 N4 O12 Tb2 -","- C188 H140 N8 O24 Tb4 -","2","1","","Wang, Wen-Min; Qiao, Wan-Zhen; Zhang, Hong-Xia; Wang, Shi-Yu; Nie, Yao-Yao; Chen, Hong-Man; Liu, Zhen; Gao, Hong-Ling; Cui, Jian-Zhong; Zhao, Bin","Structures and magnetic properties of several phenoxo-O bridged dinuclear lanthanide complexes: Dy derivatives displaying substituent dependent magnetic relaxation behavior.","Dalton transactions (Cambridge, England : 2003)","2016","45","19","8182","8191","10.1039/c6dt00220j","","","0.71073","MoKα","","0.0883","0.0562","","","0.1293","0.1527","","","","","","0.961","","","","has coordinates,has disorder","185540","2020-10-21","18:00:00",""
"7038939","31.776","0.006","12.212","0.002","23.094","0.005","90","","122.21","0.03","90","","7582","4","113","2","113","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C94 H70 Dy2 N4 O12 -","- C94 H70 Dy2 N4 O12 -","- C376 H280 Dy8 N16 O48 -","4","0.5","","Wang, Wen-Min; Qiao, Wan-Zhen; Zhang, Hong-Xia; Wang, Shi-Yu; Nie, Yao-Yao; Chen, Hong-Man; Liu, Zhen; Gao, Hong-Ling; Cui, Jian-Zhong; Zhao, Bin","Structures and magnetic properties of several phenoxo-O bridged dinuclear lanthanide complexes: Dy derivatives displaying substituent dependent magnetic relaxation behavior.","Dalton transactions (Cambridge, England : 2003)","2016","45","19","8182","8191","10.1039/c6dt00220j","","","0.71073","MoKα","","0.0645","0.0546","","","0.1361","0.1475","","","","","","1.021","","","","has coordinates","185540","2020-10-21","18:00:00",""
"7038940","11.472","0.002","17.083","0.003","20.359","0.004","90","","101.43","0.03","90","","3910.7","1.3","113","2","113","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C96 H74 Dy2 N4 O12 -","- C96 H74 Dy2 N4 O12 -","- C192 H148 Dy4 N8 O24 -","2","0.5","","Wang, Wen-Min; Qiao, Wan-Zhen; Zhang, Hong-Xia; Wang, Shi-Yu; Nie, Yao-Yao; Chen, Hong-Man; Liu, Zhen; Gao, Hong-Ling; Cui, Jian-Zhong; Zhao, Bin","Structures and magnetic properties of several phenoxo-O bridged dinuclear lanthanide complexes: Dy derivatives displaying substituent dependent magnetic relaxation behavior.","Dalton transactions (Cambridge, England : 2003)","2016","45","19","8182","8191","10.1039/c6dt00220j","","","0.71073","MoKα","","0.0677","0.0497","","","0.1083","0.1182","","","","","","1.085","","","","has coordinates","185540","2020-10-21","18:00:00",""
"7038941","11.2448","0.0011","20.7113","0.0018","17.1163","0.0016","90","","99.173","0.002","90","","3935.3","0.6","113","2","113","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C94 H70 Eu2 N4 O12 -","- C94 H70 Eu2 N4 O12 -","- C188 H140 Eu4 N8 O24 -","2","1","","Wang, Wen-Min; Qiao, Wan-Zhen; Zhang, Hong-Xia; Wang, Shi-Yu; Nie, Yao-Yao; Chen, Hong-Man; Liu, Zhen; Gao, Hong-Ling; Cui, Jian-Zhong; Zhao, Bin","Structures and magnetic properties of several phenoxo-O bridged dinuclear lanthanide complexes: Dy derivatives displaying substituent dependent magnetic relaxation behavior.","Dalton transactions (Cambridge, England : 2003)","2016","45","19","8182","8191","10.1039/c6dt00220j","","","0.71073","MoKα","","0.0475","0.039","","","0.0938","0.0991","","","","","","1.069","","","","has coordinates","185540","2020-10-21","18:00:00",""
"7038942","31.662","0.003","12.1691","0.001","23.026","0.002","90","","121.974","0.002","90","","7525.9","1.2","113","2","113","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C47 H35 Ho N2 O6 -","- C47 H35 Ho N2 O6 -","- C376 H280 Ho8 N16 O48 -","8","1","","Wang, Wen-Min; Qiao, Wan-Zhen; Zhang, Hong-Xia; Wang, Shi-Yu; Nie, Yao-Yao; Chen, Hong-Man; Liu, Zhen; Gao, Hong-Ling; Cui, Jian-Zhong; Zhao, Bin","Structures and magnetic properties of several phenoxo-O bridged dinuclear lanthanide complexes: Dy derivatives displaying substituent dependent magnetic relaxation behavior.","Dalton transactions (Cambridge, England : 2003)","2016","45","19","8182","8191","10.1039/c6dt00220j","","","0.71073","MoKα","","0.0351","0.0249","","","0.0573","0.0623","","","","","","1.052","","","","has coordinates,has disorder","185540","2020-10-21","18:00:00",""
"7038943","31.609","0.007","12.151","0.002","22.98","0.005","90","","121.9","0.004","90","","7493","3","113","2","113","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C94 H70 Er2 N4 O12 -","- C94 H70 Er2 N4 O12 -","- C376 H280 Er8 N16 O48 -","4","0.5","","Wang, Wen-Min; Qiao, Wan-Zhen; Zhang, Hong-Xia; Wang, Shi-Yu; Nie, Yao-Yao; Chen, Hong-Man; Liu, Zhen; Gao, Hong-Ling; Cui, Jian-Zhong; Zhao, Bin","Structures and magnetic properties of several phenoxo-O bridged dinuclear lanthanide complexes: Dy derivatives displaying substituent dependent magnetic relaxation behavior.","Dalton transactions (Cambridge, England : 2003)","2016","45","19","8182","8191","10.1039/c6dt00220j","","","0.71073","MoKα","","0.1147","0.0553","","","0.078","0.0958","","","","","","1.073","","","","has coordinates","185540","2020-10-21","18:00:00",""
"7038944","11.4279","0.0013","17.0871","0.0017","20.256","0.002","90","","100.838","0.003","90","","3884.8","0.7","113","2","113","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C96 H74 Ho2 N4 O12 -","- C96 H74 Ho2 N4 O12 -","- C192 H148 Ho4 N8 O24 -","2","0.5","","Wang, Wen-Min; Qiao, Wan-Zhen; Zhang, Hong-Xia; Wang, Shi-Yu; Nie, Yao-Yao; Chen, Hong-Man; Liu, Zhen; Gao, Hong-Ling; Cui, Jian-Zhong; Zhao, Bin","Structures and magnetic properties of several phenoxo-O bridged dinuclear lanthanide complexes: Dy derivatives displaying substituent dependent magnetic relaxation behavior.","Dalton transactions (Cambridge, England : 2003)","2016","45","19","8182","8191","10.1039/c6dt00220j","","","0.71073","MoKα","","0.0255","0.0222","","","0.0545","0.0557","","","","","","1.069","","","","has coordinates","185540","2020-10-21","18:00:00",""
"7038945","11.4739","0.0019","17.081","0.003","21.323","0.003","90","","110.668","0.007","90","","3910","1.1","113","2","113","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C96 H74 N4 O12 Tb2 -","- C96 H74 N4 O12 Tb2 -","- C192 H148 N8 O24 Tb4 -","2","0.5","","Wang, Wen-Min; Qiao, Wan-Zhen; Zhang, Hong-Xia; Wang, Shi-Yu; Nie, Yao-Yao; Chen, Hong-Man; Liu, Zhen; Gao, Hong-Ling; Cui, Jian-Zhong; Zhao, Bin","Structures and magnetic properties of several phenoxo-O bridged dinuclear lanthanide complexes: Dy derivatives displaying substituent dependent magnetic relaxation behavior.","Dalton transactions (Cambridge, England : 2003)","2016","45","19","8182","8191","10.1039/c6dt00220j","","","0.71073","MoKα","","0.1011","0.0831","","","0.2564","0.286","","","","","","1.083","","","","has coordinates","185540","2020-10-21","18:00:00",""
"7038946","11.6297","0.0014","17.1807","0.0019","19.908","0.002","90","","103.388","0.002","90","","3869.6","0.7","113","","113","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C96 H74 Er2 N4 O12 -","- C96 H74 Er2 N4 O12 -","- C192 H148 Er4 N8 O24 -","2","0.5","","Wang, Wen-Min; Qiao, Wan-Zhen; Zhang, Hong-Xia; Wang, Shi-Yu; Nie, Yao-Yao; Chen, Hong-Man; Liu, Zhen; Gao, Hong-Ling; Cui, Jian-Zhong; Zhao, Bin","Structures and magnetic properties of several phenoxo-O bridged dinuclear lanthanide complexes: Dy derivatives displaying substituent dependent magnetic relaxation behavior.","Dalton transactions (Cambridge, England : 2003)","2016","45","19","8182","8191","10.1039/c6dt00220j","","","0.71073","MoKα","","0.0372","0.0312","","","0.0859","0.0892","","","","","","1.067","","","","has coordinates","185540","2020-10-21","18:00:00",""
"7038947","13.8974","0.0015","16.8586","0.0018","28.648","0.004","78.612","0.006","85.689","0.006","76.473","0.005","6394.3","1.3","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","compound 8","","- C74 H98 Cr O12 -","- C73.65 H78 Cr O10.1 -","- C294.6 H312 Cr4 O40.4 -","4","2","","Yousif, Maryam; Cabelof, Alyssa C.; Martin, Philip D.; Lord, Richard L.; Groysman, Stanislav","Synthesis of a mononuclear, non-square-planar chromium(ii) bis(alkoxide) complex and its reactivity toward organic carbonyls and CO2.","Dalton transactions (Cambridge, England : 2003)","2016","45","24","9794","9804","10.1039/c6dt00279j","","","0.71073","MoKα","","0.206","0.155","","","0.3732","0.4095","","","","","","1.085","","","","has coordinates,has disorder","185382","2020-10-21","18:00:00",""
"7038948","23.613","0.0011","11.5734","0.001","17.83","0.0013","90","","117.249","0.005","90","","4331.9","0.6","100","2","100","2","","","","","","","dichloromethane, hexane","7","C 1 2/c 1","-C 2yc","15","","","","- C52 H41 Cl3 N O2 P2 Ru -","- C52 H41 Cl3 N O2 P2 Ru -","- C208 H164 Cl12 N4 O8 P8 Ru4 -","4","0.5","","Bera, Sachinath; Maity, Suvendu; Weyhermüller, Thomas; Ghosh, Prasanta","Radical non-radical states of the [Ru(PIQ)] core in complexes (PIQ = 9,10-phenanthreneiminoquinone).","Dalton transactions (Cambridge, England : 2003)","2016","45","19","8236","8247","10.1039/c6dt00091f","","","0.71073","MoKα","","0.0377","0.033","","","0.077","0.079","","","","","","1.172","","","","has coordinates,has disorder","185539","2020-10-21","18:00:00",""
"7038949","22.047","0.003","10.5945","0.0012","41.837","0.005","90","","101.172","0.008","90","","9587","2","100","2","100","2","","","","","","","dichloromethane, hexane","8","C 1 2/c 1","-C 2yc","15","","","","- C51.5 H40 Cl2 I3 N O2 P2 Ru -","- C51.5 H40 Cl2 I3 N O2 P2 Ru -","- C412 H320 Cl16 I24 N8 O16 P16 Ru8 -","8","1","","Bera, Sachinath; Maity, Suvendu; Weyhermüller, Thomas; Ghosh, Prasanta","Radical non-radical states of the [Ru(PIQ)] core in complexes (PIQ = 9,10-phenanthreneiminoquinone).","Dalton transactions (Cambridge, England : 2003)","2016","45","19","8236","8247","10.1039/c6dt00091f","","","1.54178","CuKα","","0.0557","0.0521","","","0.1329","0.1357","","","","","","1.093","","","","has coordinates","185539","2020-10-21","18:00:00",""
"7038950","31.1458","0.0008","11.413","0.0012","17.5198","0.0014","90","","123.798","0.005","90","","5175.3","0.8","100","2","100","2","","","","","","","dichloromethane, toluene","7","C 1 2/c 1","-C 2yc","15","","","","- C50 H39 Cl2 N O P2 Ru -","- C50 H39 Cl2 N O P2 Ru -","- C200 H156 Cl8 N4 O4 P8 Ru4 -","4","0.5","","Bera, Sachinath; Maity, Suvendu; Weyhermüller, Thomas; Ghosh, Prasanta","Radical non-radical states of the [Ru(PIQ)] core in complexes (PIQ = 9,10-phenanthreneiminoquinone).","Dalton transactions (Cambridge, England : 2003)","2016","45","19","8236","8247","10.1039/c6dt00091f","","","0.71073","MoKα","","0.0666","0.0463","","","0.1144","0.122","","","","","","1.074","","","","has coordinates,has disorder","185539","2020-10-21","18:00:00",""
"7038951","17.34","0.002","22.082","0.002","33.227","0.003","90","","94.092","0.004","90","","12690","2","134","2","134","2","","","","","","","","8","P 1 21 1","P 2yb","4","","","","- C65.75 H50 Cl3 I3.5 N2 O2 P2 Ru2 -","- C65.75 H50 Cl3 I3.5 N2 O2 P2 Ru2 -","- C526 H400 Cl24 I28 N16 O16 P16 Ru16 -","8","4","","Bera, Sachinath; Maity, Suvendu; Weyhermüller, Thomas; Ghosh, Prasanta","Radical non-radical states of the [Ru(PIQ)] core in complexes (PIQ = 9,10-phenanthreneiminoquinone).","Dalton transactions (Cambridge, England : 2003)","2016","45","19","8236","8247","10.1039/c6dt00091f","","","0.71073","MoKα","","0.0599","0.0494","","","0.1113","0.1196","","","","","","1.044","","","","has coordinates,has disorder","185539","2020-10-21","18:00:00",""
"7038952","14.1404","0.0006","26.8318","0.001","17.1992","0.0007","90","","91.167","0.002","90","","6524.2","0.5","294","2","294","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C65 H50 Br6 Cl2 N2 O2 P2 Ru2 -","- C65 H50 Br6 Cl2 N2 O2 P2 Ru2 -","- C260 H200 Br24 Cl8 N8 O8 P8 Ru8 -","4","1","","Bera, Sachinath; Maity, Suvendu; Weyhermüller, Thomas; Ghosh, Prasanta","Radical non-radical states of the [Ru(PIQ)] core in complexes (PIQ = 9,10-phenanthreneiminoquinone).","Dalton transactions (Cambridge, England : 2003)","2016","45","19","8236","8247","10.1039/c6dt00091f","","","0.71073","MoKα","","0.0651","0.0469","","","0.1696","0.183","","","","","","1.38","","","","has coordinates","185539","2020-10-21","18:00:00",""
"7038953","11.575","0.0004","15.2217","0.0005","13.6668","0.0005","90","","108.346","0.001","90","","2285.58","0.14","293","2","293","2","","","","","","","","7","P 1 2/n 1","-P 2yac","13","","","","- C50 H38 Br3 Cl2 O2 P2 Ru -","- C50 H38 Br3 Cl2 O2 P2 Ru -","- C100 H76 Br6 Cl4 O4 P4 Ru2 -","2","0.5","","Bera, Sachinath; Maity, Suvendu; Weyhermüller, Thomas; Ghosh, Prasanta","Radical non-radical states of the [Ru(PIQ)] core in complexes (PIQ = 9,10-phenanthreneiminoquinone).","Dalton transactions (Cambridge, England : 2003)","2016","45","19","8236","8247","10.1039/c6dt00091f","","","0.71073","MoKα","","0.0402","0.0311","","","0.1024","0.1197","","","","","","0.956","","","","has coordinates","185539","2020-10-21","18:00:00",""
"7038954","16.9255","0.0006","10.5467","0.0004","18.5084","0.0004","90","","97.055","0.002","90","","3278.89","0.18","110","10","110","10","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C27 H38 Dy N5 S6 -","- C27 H38 Dy N5 S6 -","- C108 H152 Dy4 N20 S24 -","4","1","","Liu, Shan-Shan; Lang, Ke; Zhang, Yi-Quan; Yang, Qian; Wang, Bing-Wu; Gao, Song","A distinct magnetic anisotropy enhancement in mononuclear dysprosium-sulfur complexes by controlling the Dy-ligand bond length.","Dalton transactions (Cambridge, England : 2003)","2016","45","19","8149","8153","10.1039/c6dt01089j","","","1.54184","CuKα","","0.0413","0.0312","","","0.0673","0.0723","","","","","","0.999","","","","has coordinates","185542","2020-10-21","18:00:00",""
"7038955","12.0684","0.0003","20.5775","0.0005","17.6455","0.0005","90","","106.988","0.003","90","","4190.8","0.2","180","2","180","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C47 H40 Dy N3 O4 S2 -","- C47 H40 Dy N3 O4 S2 -","- C188 H160 Dy4 N12 O16 S8 -","4","1","","Liu, Shan-Shan; Lang, Ke; Zhang, Yi-Quan; Yang, Qian; Wang, Bing-Wu; Gao, Song","A distinct magnetic anisotropy enhancement in mononuclear dysprosium-sulfur complexes by controlling the Dy-ligand bond length.","Dalton transactions (Cambridge, England : 2003)","2016","45","19","8149","8153","10.1039/c6dt01089j","","","0.71073","MoKα","","0.0359","0.0255","","","0.0541","0.06","","","","","","1.055","","","","has coordinates","185542","2020-10-21","18:00:00",""
"7038956","9.345","0.0004","9.6733","0.0003","23.4652","0.001","90.674","0.003","90.671","0.004","115.639","0.003","1911.86","0.14","173","","173","","","","","","","","","5","P -1","-P 1","2","","","","- C24 H64 Fe2 N2 P8 -","- C24 H64 Fe2 N2 P8 -","- C48 H128 Fe4 N4 P16 -","2","1","","Doyle, Laurence R.; Hill, Peter J.; Wildgoose, Gregory G.; Ashley, Andrew E.","Teaching old compounds new tricks: efficient N2 fixation by simple Fe(N2)(diphosphine)2 complexes.","Dalton transactions (Cambridge, England : 2003)","2016","45","18","7550","7554","10.1039/c6dt00884d","","","0.71073","MoKα","","0.0556","0.0431","","","0.09","0.0984","","","","","","1.024","","","","has coordinates,has disorder","182679","2020-10-21","18:00:00",""
"7038957","14.452","0.003","14.462","0.003","18.805","0.004","86.3","0.03","87.93","0.03","62.15","0.03","3467.8","1.6","120","2","120","2","","","","","","","","7","P -1","-P 1","2","Sc2O@C70/NiOEP/0.50(bz)1.50(CF)","","","- C110.5 H48.5 Cl4.5 N4 Ni O Sc2 -","- C110.48 H48.48 Cl4.512 N4 Ni O Sc2.0008 -","- C220.96 H96.96 Cl9.024 N8 Ni2 O2 Sc4.0016 -","2","1","","Feng, Lai; Zhang, Meirong; Hao, Yajuan; Tang, Qiangqiang; Chen, Ning; Slanina, Zdeněk; Uhlík, Filip","Endohedrally stabilized C70 isomer with fused pentagons characterized by crystallography.","Dalton transactions (Cambridge, England : 2003)","2016","45","19","8142","8148","10.1039/c6dt00074f","","","0.71073","MoKα","","0.1227","0.1086","","","0.2953","0.3091","","","","","","1.052","","","","has coordinates,has disorder","185547","2020-10-21","18:00:00",""
"7038958","14.9352","0.0008","15.3568","0.0006","15.6578","0.0007","67.393","0.004","83.433","0.004","77.09","0.004","3229.9","0.3","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C123 H74 F30 N14 Ni4 O20 -","- C123 H74 F30 N14 Ni4 O20 -","- C123 H74 F30 N14 Ni4 O20 -","1","0.5","","Huang, Da-Wei; Liu, Yi-Hung; Peng, Shie-Ming; Liu, Shiuh-Tzung","Dinickel complexes with anthyridine-based ligands.","Dalton transactions (Cambridge, England : 2003)","2016","45","19","8265","8271","10.1039/c6dt00567e","","","0.71073","MoKα","","0.1599","0.094","","","0.2298","0.2715","","","","","","1.138","","","","has coordinates,has disorder","185536","2020-10-21","18:00:00",""
"7038959","20.1055","0.0006","18.0229","0.0005","15.0825","0.0005","90","","90.727","0.003","90","","5464.8","0.3","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C52 H39 F12 N7 Ni2 O11 -","- C52 H39 F12 N7 Ni2 O11 -","- C208 H156 F48 N28 Ni8 O44 -","4","1","","Huang, Da-Wei; Liu, Yi-Hung; Peng, Shie-Ming; Liu, Shiuh-Tzung","Dinickel complexes with anthyridine-based ligands.","Dalton transactions (Cambridge, England : 2003)","2016","45","19","8265","8271","10.1039/c6dt00567e","","","0.71073","MoKα","","0.0817","0.0529","","","0.1295","0.1479","","","","","","1.012","","","","has coordinates,has disorder","185536","2020-10-21","18:00:00",""
"7038960","15.7289","0.0006","15.3978","0.0004","17.498","0.0007","90","","94.213","0.003","90","","4226.4","0.3","133","2","133","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C38 H40 B Cl6 F4 Fe N5 O3 -","- C38 H40 B Cl6 F4 Fe N5 O3 -","- C152 H160 B4 Cl24 F16 Fe4 N20 O12 -","4","1","","van der Meer, Margarethe; Rechkemmer, Yvonne; Breitgoff, Frauke D.; Dechert, Sebastian; Marx, Raphael; Dörfel, María; Neugebauer, Petr; van Slageren, Joris; Sarkar, Biprajit","Probing bistability in Fe(II) and Co(II) complexes with an unsymmetrically substituted quinonoid ligand.","Dalton transactions (Cambridge, England : 2003)","2016","45","20","8394","8403","10.1039/c6dt00757k","","","0.71073","MoKα","","0.0784","0.0695","","","0.1725","0.1779","","","","","","1.112","","","","has coordinates,has disorder","185420","2020-10-21","18:00:00",""
"7038961","15.925","0.003","15.36","0.003","17.764","0.003","90","","92.216","0.004","90","","4342","1.4","140","2","140","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C38 H40 B Cl6 Co F4 N5 O3 -","- C38 H40 B Cl6 Co F4 N5 O3 -","- C152 H160 B4 Cl24 Co4 F16 N20 O12 -","4","1","","van der Meer, Margarethe; Rechkemmer, Yvonne; Breitgoff, Frauke D.; Dechert, Sebastian; Marx, Raphael; Dörfel, María; Neugebauer, Petr; van Slageren, Joris; Sarkar, Biprajit","Probing bistability in Fe(II) and Co(II) complexes with an unsymmetrically substituted quinonoid ligand.","Dalton transactions (Cambridge, England : 2003)","2016","45","20","8394","8403","10.1039/c6dt00757k","","","0.71073","MoKα","","0.0946","0.0605","","","0.1435","0.1629","","","","","","1.059","","","","has coordinates,has disorder","185420","2020-10-21","18:00:00",""
"7038962","13.6698","0.0006","22.0425","0.001","20.5781","0.0009","90","","108.781","0.001","90","","5870.4","0.5","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C98 H106 Co14 N20 O59 -","- C98 H103.4 Co14 N20 O59 -","- C196 H206.8 Co28 N40 O118 -","2","0.5","","Yang, En-Cui; Liu, Zhong-Yi; Zhang, Lei; Yang, Na; Zhao, Xiao-Jun","Magnetism behaviours dominated by the interplay of magnetic anisotropy and exchange coupling in local Co discs.","Dalton transactions (Cambridge, England : 2003)","2016","45","19","8134","8141","10.1039/c6dt00010j","","","0.71073","MoKα","","0.0705","0.0519","","","0.1373","0.1497","","","","","","1.032","","","","has coordinates,has disorder","185546","2020-10-21","18:00:00",""
"7038963","7.4315","0.0014","13.956","0.003","20.444","0.004","90","","99.124","0.018","90","","2093.5","0.7","173","0.1","173","0.1","","","","","","","","6","I 1 2/m 1","-I 2y","12","","","","- C26 H28 Co7 N10 O24 S2 -","- C26 H28 Co7 N10 O24 S2 -","- C52 H56 Co14 N20 O48 S4 -","2","0.25","","Yang, En-Cui; Liu, Zhong-Yi; Zhang, Lei; Yang, Na; Zhao, Xiao-Jun","Magnetism behaviours dominated by the interplay of magnetic anisotropy and exchange coupling in local Co discs.","Dalton transactions (Cambridge, England : 2003)","2016","45","19","8134","8141","10.1039/c6dt00010j","","x-ray","1.54184","CuKα","","0.2113","0.117","","","0.2796","0.3093","","","","","","1.042","","","","has coordinates,has disorder","185546","2020-10-21","18:00:00",""
"7038964","10.0932","0.0006","15.4168","0.0008","22.8812","0.0013","90","","92.2906","0.0017","90","","3557.6","0.3","100","2","100","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","[(N,N`-bis(5-triethylammoniummethylsalicylidene)-1,2-ethylenediiminato)nickel(II)] (ClO4)2","","- C30 H46 Cl2 N4 Ni O10 -","- C30 H46 Cl2 N4 Ni O10 -","- C120 H184 Cl8 N16 Ni4 O40 -","4","1","","Terenzi, Alessio; Lötsch, Daniela; van Schoonhoven, Sushilla; Roller, Alexander; Kowol, Christian R.; Berger, Walter; Keppler, Bernhard K.; Barone, Giampaolo","Another step toward DNA selective targeting: Ni(II) and Cu(II) complexes of a Schiff base ligand able to bind gene promoter G-quadruplexes.","Dalton transactions (Cambridge, England : 2003)","2016","45","18","7758","7767","10.1039/c6dt00648e","","","0.71073","MoKα","","0.1032","0.0707","","","0.1727","0.1909","","","","","","1.065","","","","has coordinates,has disorder","182666","2020-10-21","18:00:00",""
"7038965","9.2787","0.0013","12.812","0.002","16.033","0.003","70.114","0.008","82.91","0.007","87.96","0.007","1778.6","0.5","100","2","100","","","","","","","","","6","P -1","-P 1","2","","[(N,N'-bis(5-triethylammoniummethylsalicylidene)-1,2-ethylenediiminato)copper(II)](ClO4)2","","- C30 H46 Cl2 Cu N4 O10 -","- C30 H46 Cl2 Cu N4 O10 -","- C60 H92 Cl4 Cu2 N8 O20 -","2","1","","Terenzi, Alessio; Lötsch, Daniela; van Schoonhoven, Sushilla; Roller, Alexander; Kowol, Christian R.; Berger, Walter; Keppler, Bernhard K.; Barone, Giampaolo","Another step toward DNA selective targeting: Ni(II) and Cu(II) complexes of a Schiff base ligand able to bind gene promoter G-quadruplexes.","Dalton transactions (Cambridge, England : 2003)","2016","45","18","7758","7767","10.1039/c6dt00648e","","","0.71073","MoKα","","0.097","0.0828","","","0.2265","0.2385","","","","","","1.064","","","","has coordinates","182666","2020-10-21","18:00:00",""
"7038966","7.779","0.006","8.339","0.006","14.025","0.012","75.82","0.02","81.71","0.02","80.21","0.04","864.2","1.2","130","","130","","","","","","","","","5","P -1","-P 1","2","","[N,N'-bis(5-triethylammoniummethylsalicylidene)-1,2-ethylenediamine](ClO4)2","","- C30 H48 Cl2 N4 O10 -","- C30 H48 Cl2 N4 O10 -","- C30 H48 Cl2 N4 O10 -","1","0.5","","Terenzi, Alessio; Lötsch, Daniela; van Schoonhoven, Sushilla; Roller, Alexander; Kowol, Christian R.; Berger, Walter; Keppler, Bernhard K.; Barone, Giampaolo","Another step toward DNA selective targeting: Ni(II) and Cu(II) complexes of a Schiff base ligand able to bind gene promoter G-quadruplexes.","Dalton transactions (Cambridge, England : 2003)","2016","45","18","7758","7767","10.1039/c6dt00648e","","","0.71073","MoKα","","0.1333","0.0928","","","0.2098","0.2268","","","","","","0.961","","","","has coordinates","182666","2020-10-21","18:00:00",""
"7038967","10.2318","0.0015","21.181","0.003","22.531","0.003","90","","102.198","0.003","90","","4772.7","1.2","100","2","100.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H37 P5 S -","- C20 H37 P5 S -","- C160 H296 P40 S8 -","8","2","","Keller, I. C.; Bauer, W.; Heinemann, F. W.; Höhn, C; Rohwer, L.; Zenneck, U.","Optically active P5-deltacyclenes: selective oxidation, ligand properties, and a diastereoselective rearrangement reaction.","Dalton transactions (Cambridge, England : 2003)","2016","45","17","7267","7277","10.1039/c6dt00548a","","","0.71073","MoKα","","0.0625","0.0484","","","0.1244","0.1334","","","","","","1.033","","","","has coordinates,has disorder","182740","2020-10-21","18:00:00",""
"7038968","35.8486","0.0005","10.252","0.0001","30.1625","0.0004","90","","121.591","0.001","90","","9442.6","0.2","100","2","100.15","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C20 H37 P5 Se -","- C20 H37 P5 Se -","- C320 H592 P80 Se16 -","16","2","","Keller, I. C.; Bauer, W.; Heinemann, F. W.; Höhn, C; Rohwer, L.; Zenneck, U.","Optically active P5-deltacyclenes: selective oxidation, ligand properties, and a diastereoselective rearrangement reaction.","Dalton transactions (Cambridge, England : 2003)","2016","45","17","7267","7277","10.1039/c6dt00548a","","","0.71073","MoKα","","0.0726","0.0397","","","0.0788","0.089","","","","","","1.049","","","","has coordinates,has disorder","182740","2020-10-21","18:00:00",""
"7038969","10.373","0.0012","11.494","0.0009","14.269","0.0011","95.832","0.008","92.762","0.008","114.536","0.006","1531.9","0.3","150","2","150.15","","","","","","","","","5","P -1","-P 1","2","","","","- C25 H37 Cr O6 P5 -","- C25 H37 Cr O6 P5 -","- C50 H74 Cr2 O12 P10 -","2","1","","Keller, I. C.; Bauer, W.; Heinemann, F. W.; Höhn, C; Rohwer, L.; Zenneck, U.","Optically active P5-deltacyclenes: selective oxidation, ligand properties, and a diastereoselective rearrangement reaction.","Dalton transactions (Cambridge, England : 2003)","2016","45","17","7267","7277","10.1039/c6dt00548a","","","0.71073","MoKα","","0.044","0.0315","","","0.0737","0.0811","","","","","","1.046","","","","has coordinates","182740","2020-10-21","18:00:00",""
"7038970","10.806","0.0002","15.2568","0.0002","15.4858","0.0002","100.299","0.001","108.044","0.001","109.148","0.001","2178.61","0.06","200","2","200.15","","","","","","","","","6","P -1","-P 1","2","","","","- C38 H67 Cl2 O4 P5 Ru -","- C38 H67 Cl2 O4 P5 Ru -","- C76 H134 Cl4 O8 P10 Ru2 -","2","1","","Keller, I. C.; Bauer, W.; Heinemann, F. W.; Höhn, C; Rohwer, L.; Zenneck, U.","Optically active P5-deltacyclenes: selective oxidation, ligand properties, and a diastereoselective rearrangement reaction.","Dalton transactions (Cambridge, England : 2003)","2016","45","17","7267","7277","10.1039/c6dt00548a","","","0.71073","MoKα","","0.0573","0.0378","","","0.0918","0.1037","","","","","","1.037","","","","has coordinates,has disorder","182740","2020-10-21","18:00:00",""
"7038971","14.7962","0.0003","11.8141","0.0002","27.4404","0.0005","90","","90","","90","","4796.69","0.15","100","2","100.15","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C20 H36 Cl O P5 -","- C20 H36 Cl O P5 -","- C160 H288 Cl8 O8 P40 -","8","1","","Keller, I. C.; Bauer, W.; Heinemann, F. W.; Höhn, C; Rohwer, L.; Zenneck, U.","Optically active P5-deltacyclenes: selective oxidation, ligand properties, and a diastereoselective rearrangement reaction.","Dalton transactions (Cambridge, England : 2003)","2016","45","17","7267","7277","10.1039/c6dt00548a","","","0.71073","MoKα","","0.0387","0.0301","","","0.0767","0.0821","","","","","","1.068","","","","has coordinates","182740","2020-10-21","18:00:00",""
"7038972","13.328","0.004","14.042","0.005","15.35","0.005","107.847","0.002","114.56","0.005","94.641","0.003","2414.1","1.4","153","2","153","2","","","","","","","","7","P -1","-P 1","2","","","","- C98 H94 Cl4 F12 N2 P10 Pt3 -","- C98 H94 Cl4 F12 N2 P10 Pt3 -","- C98 H94 Cl4 F12 N2 P10 Pt3 -","1","0.5","","Tanase, Tomoaki; Koike, Kanako; Uegaki, Miho; Hatada, Satoko; Nakamae, Kanako; Kure, Bunsho; Ura, Yasuyuki; Nakajima, Takayuki","Electron-rich linear triplatinum complexes stabilized by a spinning tetraphosphine, tris(diphenylphosphinomethyl)phosphine.","Dalton transactions (Cambridge, England : 2003)","2016","45","17","7209","7214","10.1039/c6dt00624h","","","0.71075","MoKα","","","0.0597","","","","0.1447","","","","","","1.095","","","","has coordinates","182745","2020-10-21","18:00:00",""
"7038973","11.5968","0.0009","21.9132","0.0013","18.8936","0.0015","90","","97.8","0.004","90","","4756.9","0.6","153","2","153","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C90 H94 Cl4 F12 N2 P10 Pt3 -","- C90 H94 Cl4 F12 N2 P10 Pt3 -","- C180 H188 Cl8 F24 N4 P20 Pt6 -","2","0.5","","Tanase, Tomoaki; Koike, Kanako; Uegaki, Miho; Hatada, Satoko; Nakamae, Kanako; Kure, Bunsho; Ura, Yasuyuki; Nakajima, Takayuki","Electron-rich linear triplatinum complexes stabilized by a spinning tetraphosphine, tris(diphenylphosphinomethyl)phosphine.","Dalton transactions (Cambridge, England : 2003)","2016","45","17","7209","7214","10.1039/c6dt00624h","","","0.71075","MoKα","","","0.0367","","","","0.1089","","","","","","0.994","","","","has coordinates","182745","2020-10-21","18:00:00",""
"7038974","13.5911","0.0003","8.7956","0.0002","20.0691","0.0005","90","","101.465","0.002","90","","2351.23","0.1","100.01","0.1","100.01","0.1","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C20 H25 Cl F5.98 N3 O P Ru -","- C20 H25 Cl F5.98 N3 O P Ru -","- C80 H100 Cl4 F23.92 N12 O4 P4 Ru4 -","4","1","","Purkait, Kallol; Chatterjee, Saptarshi; Karmakar, Subhendu; Mukherjee, Arindam","Alteration of steric hindrance modulates glutathione resistance and cytotoxicity of three structurally related Ru(II)-p-cymene complexes.","Dalton transactions (Cambridge, England : 2003)","2016","45","20","8541","8555","10.1039/c5dt04781a","","x-ray","0.71073","MoKα","","0.0463","0.0399","","","0.0979","0.1032","","","","","","1.02","","","","has coordinates,has disorder","185421","2020-10-21","18:00:00",""
"7038975","8.7779","0.0004","12.0974","0.0006","12.3892","0.0005","113.365","0.004","93.289","0.004","97.822","0.004","1187.48","0.1","99.8","0.4","99.8","0.4","","","","","","","","7","P -1","-P 1","2","","","","- C22 H27 Cl F6 N3 P Ru -","- C22 H27 Cl F6 N3 P Ru -","- C44 H54 Cl2 F12 N6 P2 Ru2 -","2","1","","Purkait, Kallol; Chatterjee, Saptarshi; Karmakar, Subhendu; Mukherjee, Arindam","Alteration of steric hindrance modulates glutathione resistance and cytotoxicity of three structurally related Ru(II)-p-cymene complexes.","Dalton transactions (Cambridge, England : 2003)","2016","45","20","8541","8555","10.1039/c5dt04781a","","x-ray","0.71073","MoKα","","0.0314","0.0282","","","0.0624","0.0652","","","","","","1.052","","","","has coordinates","185421","2020-10-21","18:00:00",""
"7038976","11.3213","0.0011","11.3213","0.0011","34.953","0.004","90","","90","","90","","4480","0.8","100","1","100","","","","","","","","","5","P 4/m","-P 4","83","","","","- C80 H52 N16 O4 Pd2 -","- C80 H52 N16 O4 Pd2 -","- C160 H104 N32 O8 Pd4 -","2","0.25","","Preston, Dan; McNeill, Samantha M.; Lewis, James E. M.; Giles, Gregory I.; Crowley, James D.","Enhanced kinetic stability of [Pd2L4](4+) cages through ligand substitution.","Dalton transactions (Cambridge, England : 2003)","2016","45","19","8050","8060","10.1039/c6dt00133e","","","1.54184","CuKα","","0.2259","0.1445","","","0.4099","0.4487","","","","","","1.191","","","","has coordinates,has disorder","185548","2020-10-21","18:00:00",""
"7038977","15.4023","0.0014","11.8559","0.0007","18.238","0.002","90","","114.583","0.014","90","","3028.5","0.6","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C33 H32 N5 O4 S -","- C33 H32 N5 O4 S -","- C132 H128 N20 O16 S4 -","4","1","","Rai, Abhishek; Singh, Alok Kumar; Sonkar, Avinash Kumar; Prakash, Anand; Roy, Jagat Kumar; Nagarajan, Rajamani; Mishra, Lallan","A smart switchable module for the detection of multiple ions via turn-on dual-optical readout and their cell imaging studies.","Dalton transactions (Cambridge, England : 2003)","2016","45","19","8272","8277","10.1039/c6dt01090c","","","0.71073","MoKα","","0.1015","0.0642","","","0.147","0.1723","","","","","","1.018","","","","has coordinates","185538","2020-10-21","18:00:00",""
"7038978","14.052","0.0015","9.0526","0.001","26.357","0.003","90","","98.553","0.002","90","","3315.5","0.6","296","2","296","2","","","","","","","","6","P 1 2/c 1","-P 2yc","13","","","","- C17 H1.96 B F6.04 O18.96 Tc5 -","- C17 H1.97 B F6.03 O18.97 Tc5 -","- C68 H7.88 B4 F24.12 O75.88 Tc20 -","4","1","","Stepanova, E. S.; Gurzhiy, V. V.; Tyupina, M. Yu; Miroslavov, A. E.; Sidorenko, G. V.; Lumpov, A. A.","Does [TcF(CO)5] exist? The crystal and molecular structure of [Tc(CO)3(OH)0.49F0.51]4·[Tc(CO)5(BF4)].","Dalton transactions (Cambridge, England : 2003)","2016","45","20","8428","8432","10.1039/c6dt00958a","","","0.71","MoKα","","0.0343","0.0282","","","0.0691","0.071","","","","","","1.032","","","","has coordinates","185426","2020-10-21","18:00:00",""
"7038979","12.871","0.007","16.645","0.01","23.354","0.013","71.593","0.014","87.449","0.007","67.404","0.008","4366","4","150","","150","","","","","","","","","4","P -1","-P 1","2","","","","- C95 H123 Ge2 O2 -","- C95 H123 Ge2 O2 -","- C190 H246 Ge4 O4 -","2","1","","Tashkandi, Nada Y.; Pavelka, Laura C.; Caputo, Christine A.; Boyle, Paul D.; Power, Philip P.; Baines, Kim M.","Addition of alkynes to digermynes: experimental insight into the reaction pathway.","Dalton transactions (Cambridge, England : 2003)","2016","45","17","7226","7230","10.1039/c6dt01015f","","","0.71073","MoKα","","0.0915","0.0532","","","0.1288","0.1487","","","","","","1.011","","","","has coordinates","182733","2020-10-21","18:00:00",""
"7038980","17.0968","0.0008","19.1728","0.0008","21.3385","0.0008","81.245","0.002","68.379","0.002","87.843","0.002","6425.4","0.5","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C285 H244 Cl6 O45 Zr8 -","- C285 H236 Cl6 O45 Zr8 -","- C285 H236 Cl6 O45 Zr8 -","1","0.5","","Miao, Chengrui; Khalil, Georges; Chaumont, Alain; Mobian, Pierre; Henry, Marc","Identification of Zr(iv)-based architectures generated from ligands incorporating the 2,2'-biphenolato unit.","Dalton transactions (Cambridge, England : 2003)","2016","45","19","7998","8007","10.1039/c6dt00471g","","","0.71073","MoKα","","0.1358","0.0791","","","0.224","0.2446","","","","","","1.009","","","","has coordinates","185525","2020-10-21","18:00:00",""
"7038981","8.5998","0.0003","11.0603","0.0003","23.598","0.0007","90","","90","","90","","2244.56","0.12","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C28 H24 B Fe O P -","- C28 H24 B Fe O P -","- C112 H96 B4 Fe4 O4 P4 -","4","1","","Clavero, Pau; Grabulosa, Arnald; Rocamora, Mercè; Muller, Guillermo; Font-Bardia, Mercè","Ruthenium complexes of P-stereogenic phosphines with a heterocyclic substituent.","Dalton transactions (Cambridge, England : 2003)","2016","45","20","8513","8531","10.1039/c6dt00995f","","","0.71073","MoKα","","0.0559","0.0425","","","0.0892","0.0946","","","","","","0.929","","","","has coordinates","185413","2020-10-21","18:00:00",""
"7038982","7.3458","0.0017","8.618","0.002","36.464","0.01","90","","90","","90","","2308.4","1","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C28 H24 B Fe P S -","- C28 H24 B Fe P S -","- C112 H96 B4 Fe4 P4 S4 -","4","1","","Clavero, Pau; Grabulosa, Arnald; Rocamora, Mercè; Muller, Guillermo; Font-Bardia, Mercè","Ruthenium complexes of P-stereogenic phosphines with a heterocyclic substituent.","Dalton transactions (Cambridge, England : 2003)","2016","45","20","8513","8531","10.1039/c6dt00995f","","","0.71073","MoKα","","0.078","0.0485","","","0.0749","0.0822","","","","","","1.077","","","","has coordinates","185413","2020-10-21","18:00:00",""
"7038983","17.3656","0.0016","7.1675","0.0006","23.078","0.002","90","","91.562","0.004","90","","2871.4","0.4","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C59 H62 Cl6 O3 P2 Ru2 -","- C59 H60 Cl6 O3 P2 Ru2 -","- C118 H120 Cl12 O6 P4 Ru4 -","2","1","","Clavero, Pau; Grabulosa, Arnald; Rocamora, Mercè; Muller, Guillermo; Font-Bardia, Mercè","Ruthenium complexes of P-stereogenic phosphines with a heterocyclic substituent.","Dalton transactions (Cambridge, England : 2003)","2016","45","20","8513","8531","10.1039/c6dt00995f","","","0.71073","MoKα","","0.0764","0.0523","","","0.1183","0.1271","","","","","","1.064","","","","has coordinates","185413","2020-10-21","18:00:00",""
"7038984","11.1253","0.0006","11.4269","0.0007","24.3531","0.0015","90","","90","","90","","3096","0.3","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C32 H35 Cl4 O P Ru -","- C32 H35 Cl4 O P Ru -","- C128 H140 Cl16 O4 P4 Ru4 -","4","1","","Clavero, Pau; Grabulosa, Arnald; Rocamora, Mercè; Muller, Guillermo; Font-Bardia, Mercè","Ruthenium complexes of P-stereogenic phosphines with a heterocyclic substituent.","Dalton transactions (Cambridge, England : 2003)","2016","45","20","8513","8531","10.1039/c6dt00995f","","","0.71073","MoKα","","0.059","0.0396","","","0.0712","0.0776","","","","","","1.004","","","","has coordinates","185413","2020-10-21","18:00:00",""
"7038985","7.2995","0.0007","17.5838","0.0017","10.6219","0.0011","90","","100.738","0.004","90","","1339.5","0.2","302","2","302","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C29 H29 Cl2 P Ru S -","- C29 H29 Cl2 P Ru S -","- C58 H58 Cl4 P2 Ru2 S2 -","2","1","","Clavero, Pau; Grabulosa, Arnald; Rocamora, Mercè; Muller, Guillermo; Font-Bardia, Mercè","Ruthenium complexes of P-stereogenic phosphines with a heterocyclic substituent.","Dalton transactions (Cambridge, England : 2003)","2016","45","20","8513","8531","10.1039/c6dt00995f","","","0.71073","MoKα","","0.0349","0.0266","","","0.054","0.0583","","","","","","1.063","","","","has coordinates","185413","2020-10-21","18:00:00",""
"7038986","16.0457","0.0014","9.2602","0.0008","17.5605","0.0014","90","","90","","90","","2609.3","0.4","100","","100","","","","","","","","","6","P b c n","-P 2n 2ab","60","","Ni(dmpbz)2(BF4)2","","- C20 H32 B2 F8 Ni P4 -","- C20 H32 B2 F8 Ni P4 -","- C80 H128 B8 F32 Ni4 P16 -","4","0.5","","Connelly Robinson, Samantha J.; Zall, Christopher M.; Miller, Deanna L.; Linehan, John C.; Appel, Aaron M.","Solvent influence on the thermodynamics for hydride transfer from bis(diphosphine) complexes of nickel.","Dalton transactions (Cambridge, England : 2003)","2016","45","24","10017","10023","10.1039/c6dt00309e","","","0.71073","MoKα","","0.1166","0.0548","","","0.1244","0.1561","","","","","","1.018","","","","has coordinates,has disorder","185377","2020-10-21","18:00:00",""
"7038987","12.354","0.003","19.109","0.003","20.927","0.005","90","","90","","90","","4940.3","1.9","100","2","100","2","","","","","","","","6","F d d d","-F 2uv 2vw","70","Ni(dmpe)2(H)(BF4)","Nickel(II) bis(dimethylphosphinoethane) hydride tetrafluoroborate","","- C20 H32 B F4 Ni P4 -","- C20 H32 B F4 Ni P4 -","- C160 H256 B8 F32 Ni8 P32 -","8","","","Connelly Robinson, Samantha J.; Zall, Christopher M.; Miller, Deanna L.; Linehan, John C.; Appel, Aaron M.","Solvent influence on the thermodynamics for hydride transfer from bis(diphosphine) complexes of nickel.","Dalton transactions (Cambridge, England : 2003)","2016","45","24","10017","10023","10.1039/c6dt00309e","","","0.71073","MoKα","","0.0506","0.0317","","","0.0687","0.0743","","","","","","1.039","","","","has coordinates,has disorder","185377","2020-10-21","18:00:00",""
"7038988","8.67","0.004","9.585","0.005","9.816","0.004","69.619","0.019","71.22","0.02","81.89","0.02","723.6","0.6","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C28 H26 Cl2 Cu2 N8 O0 S2 -","- C28 H26 Cl2 Cu2 N8 S2 -","- C28 H26 Cl2 Cu2 N8 S2 -","1","0.5","","Liu, Ya-Hong; Li, Ang; Shao, Jia; Xie, Cheng-Zhi; Song, Xue-Qing; Bao, Wei-Guo; Xu, Jing-Yuan","Four Cu(ii) complexes based on antitumor chelators: synthesis, structure, DNA binding/damage, HSA interaction and enhanced cytotoxicity.","Dalton transactions (Cambridge, England : 2003)","2016","45","19","8036","8049","10.1039/c6dt00451b","","","0.71073","MoKα","","0.0548","0.053","","","0.1461","0.1484","","","","","","1.072","","","","has coordinates","185534","2020-10-21","18:00:00",""
"7038989","9.6615","0.0019","11.803","0.002","15.561","0.003","110.4","0.03","93.32","0.03","109.26","0.03","1539.8","0.7","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C14 H13 Br Cu N4 S -","- C14 H13 Br Cu N4 S -","- C56 H52 Br4 Cu4 N16 S4 -","4","2","","Liu, Ya-Hong; Li, Ang; Shao, Jia; Xie, Cheng-Zhi; Song, Xue-Qing; Bao, Wei-Guo; Xu, Jing-Yuan","Four Cu(ii) complexes based on antitumor chelators: synthesis, structure, DNA binding/damage, HSA interaction and enhanced cytotoxicity.","Dalton transactions (Cambridge, England : 2003)","2016","45","19","8036","8049","10.1039/c6dt00451b","","","0.71073","MoKα","","0.1465","0.1162","","","0.3408","0.3516","","","","","","1.092","","","","has coordinates","206958","2020-10-21","18:00:00",""
"7038990","11.006","0.002","21.944","0.004","11.945","0.002","90","","108.09","0.03","90","","2742.3","1","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C13 H11 Cl Cu N4 S -","- C13 H11 Cl Cu N4 S -","- C104 H88 Cl8 Cu8 N32 S8 -","8","1","","Liu, Ya-Hong; Li, Ang; Shao, Jia; Xie, Cheng-Zhi; Song, Xue-Qing; Bao, Wei-Guo; Xu, Jing-Yuan","Four Cu(ii) complexes based on antitumor chelators: synthesis, structure, DNA binding/damage, HSA interaction and enhanced cytotoxicity.","Dalton transactions (Cambridge, England : 2003)","2016","45","19","8036","8049","10.1039/c6dt00451b","","","0.71073","MoKα","","0.0415","0.034","","","0.0918","0.0972","","","","","","0.741","","","","has coordinates","185534","2020-10-21","18:00:00",""
"7038991","11.09","0.002","22.323","0.005","12.146","0.002","90","","105.23","0.03","90","","2901.3","1","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C13 H11 Br Cu N4 S -","- C13 H11 Br Cu N4 S -","- C104 H88 Br8 Cu8 N32 S8 -","8","1","","Liu, Ya-Hong; Li, Ang; Shao, Jia; Xie, Cheng-Zhi; Song, Xue-Qing; Bao, Wei-Guo; Xu, Jing-Yuan","Four Cu(ii) complexes based on antitumor chelators: synthesis, structure, DNA binding/damage, HSA interaction and enhanced cytotoxicity.","Dalton transactions (Cambridge, England : 2003)","2016","45","19","8036","8049","10.1039/c6dt00451b","","","0.71073","MoKα","","0.0938","0.0482","","","0.0969","0.1134","","","","","","0.778","","","","has coordinates","185534","2020-10-21","18:00:00",""
"7038992","5.1355","0.0005","10.31","0.0013","14.9951","0.0017","90","","92.076","0.003","90","","793.42","0.16","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C2 H7 N5 O5 P Zn1.5 -","- C2 H7 N5 O5 P Zn1.5 -","- C8 H28 N20 O20 P4 Zn6 -","4","1","","Chang, Tsung-Yuan; Yan, Zhao-Nan; Wang, Chun-Chi; Li, Hsing-Chun; Lin, Hsiu-Mei; Wang, Chih-Min","New hybrid organic-zincophosphate frameworks: single-crystal-to-single-crystal structural transformation and remarkable thermal and chemical stabilities.","Dalton transactions (Cambridge, England : 2003)","2016","45","17","7231","7234","10.1039/c6dt00853d","","","0.71073","MoKα","","0.069","0.0485","","","0.1058","0.114","","","","","","1.093","","","","has coordinates","182746","2020-10-21","18:00:00",""
"7038993","18.9644","0.0015","5.2062","0.0004","16.2282","0.0013","90","","113.958","0.006","90","","1464.2","0.2","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C2 H5 N5 O4 P Zn1.5 -","- C2 H5 N5 O4 P Zn1.5 -","- C16 H40 N40 O32 P8 Zn12 -","8","1","","Chang, Tsung-Yuan; Yan, Zhao-Nan; Wang, Chun-Chi; Li, Hsing-Chun; Lin, Hsiu-Mei; Wang, Chih-Min","New hybrid organic-zincophosphate frameworks: single-crystal-to-single-crystal structural transformation and remarkable thermal and chemical stabilities.","Dalton transactions (Cambridge, England : 2003)","2016","45","17","7231","7234","10.1039/c6dt00853d","","","0.71073","MoKα","","0.0904","0.0559","","","0.1259","0.1405","","","","","","1.111","","","","has coordinates","182746","2020-10-21","18:00:00",""
"7038994","19.0043","0.0006","5.2056","0.0002","16.2524","0.0006","90","","114.018","0.002","90","","1468.62","0.09","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C2 H5 N5 O4 P Zn1.5 -","- C2 H5 N5 O4 P Zn1.5 -","- C16 H40 N40 O32 P8 Zn12 -","8","1","","Chang, Tsung-Yuan; Yan, Zhao-Nan; Wang, Chun-Chi; Li, Hsing-Chun; Lin, Hsiu-Mei; Wang, Chih-Min","New hybrid organic-zincophosphate frameworks: single-crystal-to-single-crystal structural transformation and remarkable thermal and chemical stabilities.","Dalton transactions (Cambridge, England : 2003)","2016","45","17","7231","7234","10.1039/c6dt00853d","","","0.71073","MoKα","","0.0343","0.025","","","0.0573","0.0612","","","","","","1.072","","","","has coordinates","182746","2020-10-21","18:00:00",""
"7038995","13.9576","0.0003","13.0301","0.0003","29.3579","0.0009","90","","90","","90","","5339.3","0.2","291","2","291.15","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C20 H13 O10 P3 W2 -","- C20 H13 O10 P3 W2 -","- C160 H104 O80 P24 W16 -","8","1","","Hao, Yanwei; Zhang, Chunli; Mei, Yanbo; Tian, Rongqiang; Duan, Zheng; Mathey, François","The chemistry of parent phosphiranide in the coordination sphere of tungsten.","Dalton transactions (Cambridge, England : 2003)","2016","45","19","8284","8290","10.1039/c6dt00964f","","","0.71073","MoKα","","0.0537","0.0371","","","0.073","0.0784","","","","","","1.183","","","","has coordinates","185537","2020-10-21","18:00:00",""
"7038996","19.0728","0.0002","19.0728","0.0002","19.0728","0.0002","90","","90","","90","","6938.14","0.13","200","0.1","200","0.1","","","","","","","","9","P 21 3","P 2ac 2ab 3","198","","","","- C51 H60 B Cl3 F4 Mo3 N3 P3 S4 -","- C51 H60 B Cl3 F4 Mo3 N3 P3 S4 -","- C204 H240 B4 Cl12 F16 Mo12 N12 P12 S16 -","4","0.333333","","Alfonso, Carmina; Feliz, Marta; Safont, Vicent S.; Llusar, Rosa","C3-symmetry Mo3S4 aminophosphino clusters combining three sources of stereogenicity: stereocontrol directed by hydrogen bond interactions and ligand configuration.","Dalton transactions (Cambridge, England : 2003)","2016","45","18","7829","7835","10.1039/c6dt00755d","","","0.71073","MoKα","","0.0484","0.0425","","","0.1469","0.1535","","","","","","1.158","","","","has coordinates","182672","2020-10-21","18:00:00",""
"7038997","19.5506","0.0003","19.5506","0.0003","19.5506","0.0003","90","","90","","90","","7472.7","0.2","200","0.14","200","0.14","","","","","","","","9","P 21 3","P 2ac 2ab 3","198","","","","- C72 H84 B Cl3 F4 Mo3 N3 P3 S4 -","- C72 H84 B Cl3 F4 Mo3 N3 P3 S4 -","- C288 H336 B4 Cl12 F16 Mo12 N12 P12 S16 -","4","0.333333","","Alfonso, Carmina; Feliz, Marta; Safont, Vicent S.; Llusar, Rosa","C3-symmetry Mo3S4 aminophosphino clusters combining three sources of stereogenicity: stereocontrol directed by hydrogen bond interactions and ligand configuration.","Dalton transactions (Cambridge, England : 2003)","2016","45","18","7829","7835","10.1039/c6dt00755d","","","0.71073","MoKα","","0.0694","0.0448","","","0.0993","0.1184","","","","","","1.164","","","","has coordinates","182672","2020-10-21","18:00:00",""
"7038998","6.7969","0.0006","6.9292","0.0006","8.8126","0.0008","86.786","0.003","67.652","0.003","89.192","0.003","383.26","0.06","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C4 H12 Co Na2 O16 -","- C4 H4 Co Na2 O16 -","- C4 H4 Co Na2 O16 -","1","0.5","","Saritha, A.; Raju, B.; Narsimhulu, M.; Rao, D. Narayana; Raghavaiah, P.; Hussain, K. A.","A novel blue luminescent material Na2[Co(C2O4)2(H2O)2]·6H2O: synthesis, structure, luminescence and magnetic properties.","Dalton transactions (Cambridge, England : 2003)","2016","45","20","8500","8505","10.1039/c6dt01185c","","","0.71073","MoKα","","0.0304","0.0303","","","0.0995","0.0997","","","","","","1.115","","","","has coordinates","185423","2020-10-21","18:00:00",""
"7038999","9.7558","0.0008","9.8751","0.0009","14.0326","0.0011","86.034","0.003","80.089","0.002","71.629","0.001","1263.69","0.18","298","2","298","2","","","","","","","","6","P -1","-P 1","2","complex3","","","- C32 H44 O10 S4 Se4 Sn4 -","- C32 H44 O10 S4 Se4 Sn4 -","- C32 H44 O10 S4 Se4 Sn4 -","1","0.5","","Zhang, Yuan-Yuan; Zhang, Ru-Fen; Zhang, Shao-Liang; Cheng, Shuang; Li, Qian-Li; Ma, Chun-Lin","Syntheses, structures and anti-tumor activity of four new organotin(iv) carboxylates based on 2-thienylselenoacetic acid.","Dalton transactions (Cambridge, England : 2003)","2016","45","20","8412","8421","10.1039/c6dt00532b","","","0.71073","MoKα","","0.0917","0.0615","","","0.1491","0.161","","","","","","1.018","","","","has coordinates,has disorder","185425","2020-10-21","18:00:00",""
"7039000","12.4433","0.0009","10.5637","0.0007","21.3469","0.0017","90","","103.635","0.002","90","","2726.9","0.3","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","complex1","","","- C9 H14 O2 S Se Sn -","- C9 H14 O2 S Se Sn -","- C72 H112 O16 S8 Se8 Sn8 -","8","2","","Zhang, Yuan-Yuan; Zhang, Ru-Fen; Zhang, Shao-Liang; Cheng, Shuang; Li, Qian-Li; Ma, Chun-Lin","Syntheses, structures and anti-tumor activity of four new organotin(iv) carboxylates based on 2-thienylselenoacetic acid.","Dalton transactions (Cambridge, England : 2003)","2016","45","20","8412","8421","10.1039/c6dt00532b","","","0.71073","MoKα","","0.107","0.0599","","","0.1346","0.1482","","","","","","1.016","","","","has coordinates,has disorder","185425","2020-10-21","18:00:00",""
"7039001","19.42","0.007","19.42","0.007","31.641","0.013","90","","90","","120","","10334","7","298","2","298","2","","","","","","","","6","R -3 :H","-R 3","148","complex2","","","- C144 H120 O12 S6 Se6 Sn6 -","- C144 H120 O12 S6 Se6 Sn6 -","- C432 H360 O36 S18 Se18 Sn18 -","3","0.166667","","Zhang, Yuan-Yuan; Zhang, Ru-Fen; Zhang, Shao-Liang; Cheng, Shuang; Li, Qian-Li; Ma, Chun-Lin","Syntheses, structures and anti-tumor activity of four new organotin(iv) carboxylates based on 2-thienylselenoacetic acid.","Dalton transactions (Cambridge, England : 2003)","2016","45","20","8412","8421","10.1039/c6dt00532b","","","0.71073","MoKα","","0.0969","0.051","","","0.1185","0.1327","","","","","","1.004","","","","has coordinates","185425","2020-10-21","18:00:00",""
"7039002","13.6723","0.0012","25.959","0.002","23.666","0.002","90","","100.916","0.002","90","","8247.5","1.2","298","2","298","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","complex4","","","- C72 H60 O18 S6 Se6 Sn6 -","- C72 H60 O18 S6 Se6 Sn6 -","- C288 H240 O72 S24 Se24 Sn24 -","4","1","","Zhang, Yuan-Yuan; Zhang, Ru-Fen; Zhang, Shao-Liang; Cheng, Shuang; Li, Qian-Li; Ma, Chun-Lin","Syntheses, structures and anti-tumor activity of four new organotin(iv) carboxylates based on 2-thienylselenoacetic acid.","Dalton transactions (Cambridge, England : 2003)","2016","45","20","8412","8421","10.1039/c6dt00532b","","","0.71073","MoKα","","0.2103","0.0806","","","0.1728","0.2139","","","","","","0.838","","","","has coordinates,has disorder","185425","2020-10-21","18:00:00",""
"7039003","9.5306","0.0008","10.1525","0.0009","13.2324","0.0013","90","","104.104","0.002","90","","1241.76","0.19","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","complex-s1","","","- C9 H14 O2 S Sn -","- C9 H14 O2 S Sn -","- C36 H56 O8 S4 Sn4 -","4","1","","Zhang, Yuan-Yuan; Zhang, Ru-Fen; Zhang, Shao-Liang; Cheng, Shuang; Li, Qian-Li; Ma, Chun-Lin","Syntheses, structures and anti-tumor activity of four new organotin(iv) carboxylates based on 2-thienylselenoacetic acid.","Dalton transactions (Cambridge, England : 2003)","2016","45","20","8412","8421","10.1039/c6dt00532b","","","0.71073","MoKα","","0.0562","0.0429","","","0.115","0.1247","","","","","","1.022","","","","has coordinates","185425","2020-10-21","18:00:00",""
"7039004","11.563","0.0009","13.9921","0.0011","14.0809","0.0012","102.954","0.002","99.921","0.001","95.871","0.001","2163.3","0.3","298","2","298","2","","","","","","","","5","P -1","-P 1","2","complex-s3","","","- C32 H44 O10 S4 Sn4 -","- C32 H44 O10 S4 Sn4 -","- C64 H88 O20 S8 Sn8 -","2","1","","Zhang, Yuan-Yuan; Zhang, Ru-Fen; Zhang, Shao-Liang; Cheng, Shuang; Li, Qian-Li; Ma, Chun-Lin","Syntheses, structures and anti-tumor activity of four new organotin(iv) carboxylates based on 2-thienylselenoacetic acid.","Dalton transactions (Cambridge, England : 2003)","2016","45","20","8412","8421","10.1039/c6dt00532b","","","0.71073","MoKα","","0.0732","0.0541","","","0.1466","0.1614","","","","","","1.032","","","","has coordinates,has disorder","185425","2020-10-21","18:00:00",""
"7039005","10.0044","0.001","29.326","0.003","19.169","0.0019","90","","92.678","0.002","90","","5617.8","1","100","2","100","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C52 H84 Fe La N O2 S2 Si2 -","- C52 H84 Fe La N O2 S2 Si2 -","- C208 H336 Fe4 La4 N4 O8 S8 Si8 -","4","1","","Hermans, Catherine; Rong, Weifeng; Spaniol, Thomas P.; Okuda, Jun","Lanthanum complexes containing a bis(phenolate) ligand with a ferrocene-1,1'-diyldithio backbone: synthesis, characterization, and ring-opening polymerization of rac-lactide.","Dalton transactions (Cambridge, England : 2003)","2016","45","19","8127","8133","10.1039/c6dt00272b","","","0.71073","MoKα","","0.0697","0.0423","","","0.0905","0.0957","","","","","","1.047","","","","has coordinates","185545","2020-10-21","18:00:00",""
"7039006","15.082","0.002","15.392","0.002","20.427","0.003","78.8374","0.0013","82.5853","0.0013","75.4572","0.0012","4487","1.1","298","2","298.15","","","","","","","","","7","P -1","-P 1","2","","","","- C60 H96 Co2 N24 O122 P4 W32 -","- C60 H96 Co2 N24 O122 P4 W32 -","- C60 H96 Co2 N24 O122 P4 W32 -","1","0.5","","Guo, Ling-Yu; Jagodič, Marko; Zeng, Su-Yuan; Wang, Zhi; Shi, Zhi-Qiang; Wang, Xing-Po; Tung, Chen-Ho; Sun, Di","pH-Controlled assembly of two novel Dawson-sandwiched clusters involving the in situ reorganization of trivacant α-[P2W15O56](12-) into divacant α-[P2W16O57](8.).","Dalton transactions (Cambridge, England : 2003)","2016","45","20","8404","8411","10.1039/c6dt00793g","","","0.71073","MoKα","","0.061","0.0399","","","0.1006","0.1084","","","","","","1.078","","","","has coordinates,has disorder","185428","2020-10-21","18:00:00",""
"7039007","24.592","0.003","14.2596","0.0017","24.846","0.003","90","","111.4","0.001","90","","8112.1","1.7","298","2","298.15","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C60 H96 Co3 N24 O126 P4 W31 -","- C60 H96 Co3 N24 O126 P4 W31 -","- C120 H192 Co6 N48 O252 P8 W62 -","2","0.5","","Guo, Ling-Yu; Jagodič, Marko; Zeng, Su-Yuan; Wang, Zhi; Shi, Zhi-Qiang; Wang, Xing-Po; Tung, Chen-Ho; Sun, Di","pH-Controlled assembly of two novel Dawson-sandwiched clusters involving the in situ reorganization of trivacant α-[P2W15O56](12-) into divacant α-[P2W16O57](8.).","Dalton transactions (Cambridge, England : 2003)","2016","45","20","8404","8411","10.1039/c6dt00793g","","","0.71","MoKα","","0.076","0.0411","","","0.0848","0.0987","","","","","","1.02","","","","has coordinates","185428","2020-10-21","18:00:00",""
"7039008","50.145","0.009","11.763","0.0018","24.476","0.004","90","","105.706","0.004","90","","13898","4","83","","83","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C74 H187 Cl2 N11 O68 V24 -","- C74 H187 Cl2 N11 O68 V24 -","- C296 H748 Cl8 N44 O272 V96 -","4","0.5","","Inoue, Yoshitaka; Kikukawa, Yuji; Kuwajima, Sho; Hayashi, Yoshihito","A chloride capturing system via proton-induced structure transformation between opened- and closed-forms of dodecavanadates.","Dalton transactions (Cambridge, England : 2003)","2016","45","18","7563","7569","10.1039/c6dt00963h","","","0.71075","MoKα","","0.0818","0.0705","","","0.1787","0.1917","","","","","","1.198","","","","has coordinates","182681","2020-10-21","18:00:00",""
"7039009","27.8885","0.0007","11.4437","0.0003","17.7204","0.0005","90","","90","","90","","5655.4","0.3","295","2","295","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C26 H27 Eu N2 O12 -","- C26 H27 Eu N2 O12 -","- C208 H216 Eu8 N16 O96 -","8","1","","Wang, Ze-Ping; Hu, Bing; Qi, Xing-Hui; Shen, Nan-Nan; Huang, Xiao-Ying","Microwave-assisted ionothermal synthesis of a water-stable Eu-coordination polymer: a Ba(2+) ion detector and fluorescence thermometer.","Dalton transactions (Cambridge, England : 2003)","2016","45","21","8745","8752","10.1039/c6dt00641h","","","0.71073","MoKα","","0.0792","0.0429","","","0.0808","0.0951","","","","","","1.005","","","","has coordinates,has disorder","185449","2020-10-21","18:00:00",""
"7039010","7.3881","0.0004","7.43","0.0003","8.0377","0.0004","69.771","0.004","67.998","0.005","79.288","0.004","383.05","0.04","100","0.2","100","0.2","","","","","","","","4","P -1","-P 1","2","","","","- C8 H4 Ba O6 -","- C8 H4 Ba O6 -","- C16 H8 Ba2 O12 -","2","1","","Wang, Ze-Ping; Hu, Bing; Qi, Xing-Hui; Shen, Nan-Nan; Huang, Xiao-Ying","Microwave-assisted ionothermal synthesis of a water-stable Eu-coordination polymer: a Ba(2+) ion detector and fluorescence thermometer.","Dalton transactions (Cambridge, England : 2003)","2016","45","21","8745","8752","10.1039/c6dt00641h","","","0.71073","MoKα","","0.0278","0.0235","","","0.0438","0.046","","","","","","1.064","","","","has coordinates","185449","2020-10-21","18:00:00",""
"7039011","19.1342","0.0005","7.5944","0.0001","10.3523","0.0002","90","","92.834","0.002","90","","1502.48","0.05","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H18 Fe S -","- C18 H18 Fe S -","- C72 H72 Fe4 S4 -","4","1","","Wiles, Alan A.; Zhang, Xiaolu; Fitzpatrick, Brian; Long, De-Liang; Macgregor, Stuart A.; Cooke, Graeme","Redox-mediated reactions of vinylferrocene: toward redox auxiliaries.","Dalton transactions (Cambridge, England : 2003)","2016","45","17","7220","7225","10.1039/c6dt00875e","","","0.71073","MoKα","","0.0322","0.0254","","","0.055","0.0582","","","","","","1.047","","","","has coordinates","182759","2020-10-21","18:00:00",""
"7039012","10.961","0.0004","11.7192","0.0003","32.6884","0.001","90","","90","","90","","4199","0.2","100","2","100","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","K6PDIMoI","","","- C42.995 H49.99 I Mo N3 O P2 -","- C42.996 H49.99 I Mo N3 O0.999 P2 -","- C171.984 H199.96 I4 Mo4 N12 O3.996 P8 -","4","1","","Pal, Raja; Cherry, Brian R.; Flores, Marco; Groy, Thomas L.; Trovitch, Ryan J.","Isolation of a bis(imino)pyridine molybdenum(i) iodide complex through controlled reduction and interconversion of its reaction products.","Dalton transactions (Cambridge, England : 2003)","2016","45","24","10024","10033","10.1039/c6dt00301j","","","0.71073","MoKα","","0.045","0.0401","","","0.1086","0.1118","","","","","","1.047","","","","has coordinates,has disorder","185389","2020-10-21","18:00:00",""
"7039013","10.343","0.003","10.343","0.003","33.282","0.01","90","","90","","90","","3560.4","1.8","123","2","123","2","","","","","","","","6","P 43 21 2","P 4nw 2abw","96","K5PDIMoI","","","- C39 H41 I Mo N3 P2 -","- C39 H41 I Mo N3 P2 -","- C156 H164 I4 Mo4 N12 P8 -","4","0.5","","Pal, Raja; Cherry, Brian R.; Flores, Marco; Groy, Thomas L.; Trovitch, Ryan J.","Isolation of a bis(imino)pyridine molybdenum(i) iodide complex through controlled reduction and interconversion of its reaction products.","Dalton transactions (Cambridge, England : 2003)","2016","45","24","10024","10033","10.1039/c6dt00301j","","","0.71073","MoKα","","0.0769","0.0579","","","0.1377","0.1572","","","","","","1.134","","","","has coordinates","185389","2020-10-21","18:00:00",""
"7039014","8.0248","0.0003","10.408","0.0005","19.9821","0.0009","88.4317","0.0007","89.3949","0.0007","89.6286","0.0007","1668.2","0.13","123","2","123","2","","","","","","","","5","P -1","-P 1","2","K5PDIMoH2","","","- C39 H41 Mo N3 P2 -","- C39 H41 Mo N3 P2 -","- C78 H82 Mo2 N6 P4 -","2","1","","Pal, Raja; Cherry, Brian R.; Flores, Marco; Groy, Thomas L.; Trovitch, Ryan J.","Isolation of a bis(imino)pyridine molybdenum(i) iodide complex through controlled reduction and interconversion of its reaction products.","Dalton transactions (Cambridge, England : 2003)","2016","45","24","10024","10033","10.1039/c6dt00301j","","","0.71073","MoKα","","0.0396","0.0332","","","0.08","0.0829","","","","","","1.066","","","","has coordinates","185389","2020-10-21","18:00:00",""
"7039015","13.2334","0.0005","16.7995","0.0006","15.3797","0.0006","90","","103.611","0.002","90","","3323.1","0.2","292","2","292","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C62 H76 N8 O8 Zn2 -","- C62 H76 N8 O8 Zn2 -","- C124 H152 N16 O16 Zn4 -","2","0.5","","Kumar, Amit; Kumar, Ashish; Pandey, Daya Shankar","N,N-Diethylamine appended binuclear Zn(ii) complexes: highly selective and sensitive fluorescent chemosensors for picric acid.","Dalton transactions (Cambridge, England : 2003)","2016","45","20","8475","8484","10.1039/c6dt00747c","","x-ray","0.71073","MoKα","","0.1196","0.0598","","","0.1647","0.1859","","","","","","0.89","","","","has coordinates","185417","2020-10-21","18:00:00",""
"7039016","20.763","0.003","31.748","0.005","8.6715","0.0012","90","","90","","90","","5716.1","1.5","292","2","292","2","","","","","","","","4","F d d 2","F 2 -2d","43","","","","- C31 H40 N4 O2 -","- C31 H40 N4 O2 -","- C248 H320 N32 O16 -","8","0.5","","Kumar, Amit; Kumar, Ashish; Pandey, Daya Shankar","N,N-Diethylamine appended binuclear Zn(ii) complexes: highly selective and sensitive fluorescent chemosensors for picric acid.","Dalton transactions (Cambridge, England : 2003)","2016","45","20","8475","8484","10.1039/c6dt00747c","","","0.71073","MoKα","","0.0351","0.0321","","","0.0865","0.0895","","","","","","1.108","","","","has coordinates","185417","2020-10-21","18:00:00",""
"7039017","12.346","0.003","9.3473","0.0019","20.554","0.004","90","","99.01","0.03","90","","2342.7","0.9","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C27 H16 Cu F5 N4 O2 -","- C27 H16 Cu F5 N4 O2 -","- C108 H64 Cu4 F20 N16 O8 -","4","1","","Huang, Yangjie; Ajitha, Manjaly J.; Huang, Kuo-Wei; Zhang, Zhongxing; Weng, Zhiqiang","A class of effective decarboxylative perfluoroalkylating reagents: [(phen)2Cu](O2CRF).","Dalton transactions (Cambridge, England : 2003)","2016","45","20","8468","8474","10.1039/c6dt00277c","","","0.71073","MoKα","","0.0611","0.053","","","0.1353","0.1411","","","","","","1.081","","","","has coordinates,has disorder","185430","2020-10-21","18:00:00",""
"7039018","15.422","0.003","17.64","0.004","21.739","0.004","90","","90","","90","","5914","2","293","2","293","2","","","","","","","","6","I b a m","-I 2 2c","72","","","","- C35 H18 Cu F7 N4 O3 -","- C35 H18 Cu F7 N4 O3 -","- C280 H144 Cu8 F56 N32 O24 -","8","0.5","","Huang, Yangjie; Ajitha, Manjaly J.; Huang, Kuo-Wei; Zhang, Zhongxing; Weng, Zhiqiang","A class of effective decarboxylative perfluoroalkylating reagents: [(phen)2Cu](O2CRF).","Dalton transactions (Cambridge, England : 2003)","2016","45","20","8468","8474","10.1039/c6dt00277c","","","0.71073","MoKα","","0.0802","0.0731","","","0.2181","0.2262","","","","","","1.066","","","","has coordinates,has disorder","185430","2020-10-21","18:00:00",""
"7039019","18.4978","0.0019","18.4978","0.0019","6.7746","0.0007","90","","90","","120","","2007.5","0.4","293","2","293","2","","","","","","","","4","P -3 m 1","-P 3 2""","164","","","","- C11 H10 Cu O7 -","- C11 H8 Cu O7.00007 -","- C66 H48 Cu6 O42.0004 -","6","0.5","","Sha, Yunfei; Bai, Shizhe; Lou, Jiaying; Wu, Da; Liu, Baizhan; Ling, Yun","Tuning the adsorption behaviors of water, methanol, and ethanol in a porous material by varying the flexibility of substituted groups.","Dalton transactions (Cambridge, England : 2003)","2016","45","17","7235","7239","10.1039/c6dt00658b","","","0.71073","MoKα","","0.0563","0.0438","","","0.1368","0.1568","","","","","","1.2","","","","has coordinates","182739","2020-10-21","18:00:00",""
"7039020","16.0516","0.0004","24.7557","0.0006","25.955","0.0007","90","","90","","90","","10313.7","0.5","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C54 H75 Cl2 Ge P Sn -","- C54 H75 Cl2 Ge P Sn -","- C432 H600 Cl16 Ge8 P8 Sn8 -","8","1","","Krebs, K. M.; Maudrich, J.-J.; Wesemann, L.","Reaction of stannylene phosphorus Lewis pairs with dichlorides of germanium, tin and lead - the formation of base stabilized stannyl stannylenes/germylenes and redox reaction with PbCl2.","Dalton transactions (Cambridge, England : 2003)","2016","45","19","8081","8088","10.1039/c6dt00916f","","","0.71073","MoKα","","0.0496","0.0308","","","0.0606","0.0663","","","","","","1.042","","","","has coordinates","185533","2020-10-21","18:00:00",""
"7039021","16.0688","0.0004","24.647","0.0006","26.0868","0.0006","90","","90","","90","","10331.6","0.4","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C54 H75 Cl2 P Sn2 -","- C54 H75 Cl2 P Sn2 -","- C432 H600 Cl16 P8 Sn16 -","8","1","","Krebs, K. M.; Maudrich, J.-J.; Wesemann, L.","Reaction of stannylene phosphorus Lewis pairs with dichlorides of germanium, tin and lead - the formation of base stabilized stannyl stannylenes/germylenes and redox reaction with PbCl2.","Dalton transactions (Cambridge, England : 2003)","2016","45","19","8081","8088","10.1039/c6dt00916f","","","0.71073","MoKα","","0.03","0.0226","","","0.0454","0.0481","","","","","","1.047","","","","has coordinates","185533","2020-10-21","18:00:00",""
"7039022","29.0011","0.0011","19.7482","0.0007","10.5468","0.0004","90","","90","","90","","6040.4","0.4","100","2","100","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C68 H80 Cl2 Ge P Sn -","- C68 H80 Cl2 Ge P Sn -","- C272 H320 Cl8 Ge4 P4 Sn4 -","4","1","","Krebs, K. M.; Maudrich, J.-J.; Wesemann, L.","Reaction of stannylene phosphorus Lewis pairs with dichlorides of germanium, tin and lead - the formation of base stabilized stannyl stannylenes/germylenes and redox reaction with PbCl2.","Dalton transactions (Cambridge, England : 2003)","2016","45","19","8081","8088","10.1039/c6dt00916f","","","0.71073","MoKα","","0.0304","0.0276","","","0.0623","0.0633","","","","","","1.072","","","","has coordinates,has disorder","185533","2020-10-21","18:00:00",""
"7039023","29.1761","0.001","19.7911","0.0007","10.5653","0.0003","90","","90","","90","","6100.7","0.3","296","2","296","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C68 H79 Cl2 P Sn2 -","- C68 H79 Cl2 P Sn2 -","- C272 H316 Cl8 P4 Sn8 -","4","1","","Krebs, K. M.; Maudrich, J.-J.; Wesemann, L.","Reaction of stannylene phosphorus Lewis pairs with dichlorides of germanium, tin and lead - the formation of base stabilized stannyl stannylenes/germylenes and redox reaction with PbCl2.","Dalton transactions (Cambridge, England : 2003)","2016","45","19","8081","8088","10.1039/c6dt00916f","","","0.71073","MoKα","","0.0294","0.0257","","","0.0485","0.0494","","","","","","1.111","","","","has coordinates,has disorder","185533","2020-10-21","18:00:00",""
"7039024","14.7617","0.0003","24.9093","0.0005","29.069","0.0006","90","","90","","90","","10688.8","0.4","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C60 H75 Cl2 P Sn -","- C60 H75 Cl2 P Sn -","- C480 H600 Cl16 P8 Sn8 -","8","1","","Krebs, K. M.; Maudrich, J.-J.; Wesemann, L.","Reaction of stannylene phosphorus Lewis pairs with dichlorides of germanium, tin and lead - the formation of base stabilized stannyl stannylenes/germylenes and redox reaction with PbCl2.","Dalton transactions (Cambridge, England : 2003)","2016","45","19","8081","8088","10.1039/c6dt00916f","","","0.71073","MoKα","","0.052","0.036","","","0.0782","0.0858","","","","","","1.033","","","","has coordinates","185533","2020-10-21","18:00:00",""
"7039025","8.517","0.0006","6.232","0.0003","8.78","0.0006","90","","112.358","0.003","90","","430.99","0.05","100","2","100","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C8 H11 N O2 Zn -","- C8 H11 N O2 Zn -","- C16 H22 N2 O4 Zn2 -","2","0.5","","Wróbel, Zbigniew; Justyniak, Iwona; Dranka, Izabela; Lewiński, Janusz","Structural diversity of alkylzinc complexes with pyrrole-based N,O-ligands: from molecular complexes to coordination polymers.","Dalton transactions (Cambridge, England : 2003)","2016","45","17","7240","7243","10.1039/c6dt00674d","","","0.71073","MoKα","","0.0488","0.0398","","","0.0847","0.0899","","","","","","1.096","","","","has coordinates","182749","2020-10-21","18:00:00",""
"7039026","9.337","0.0009","5.499","0.0004","20.667","0.002","90","","100.267","0.003","90","","1044.14","0.16","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C21 H26 N2 O2 Zn2 -","- C21 H26 N2 O2 Zn2 -","- C42 H52 N4 O4 Zn4 -","2","0.5","","Wróbel, Zbigniew; Justyniak, Iwona; Dranka, Izabela; Lewiński, Janusz","Structural diversity of alkylzinc complexes with pyrrole-based N,O-ligands: from molecular complexes to coordination polymers.","Dalton transactions (Cambridge, England : 2003)","2016","45","17","7240","7243","10.1039/c6dt00674d","","","0.71073","MoKα","","0.0652","0.0508","","","0.1007","0.1064","","","","","","1.063","","","","has coordinates,has disorder","182749","2020-10-21","18:00:00",""
"7039027","11.323","0.0003","12.296","0.0006","12.912","0.0005","64.145","0.002","68.888","0.002","86.131","0.003","1500.55","0.11","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C54 H78 N6 O6 Zn6 -","- C54 H78 N6 O6 Zn6 -","- C54 H78 N6 O6 Zn6 -","1","0.5","","Wróbel, Zbigniew; Justyniak, Iwona; Dranka, Izabela; Lewiński, Janusz","Structural diversity of alkylzinc complexes with pyrrole-based N,O-ligands: from molecular complexes to coordination polymers.","Dalton transactions (Cambridge, England : 2003)","2016","45","17","7240","7243","10.1039/c6dt00674d","","","0.71073","MoKα","","0.0518","0.0383","","","0.0954","0.1002","","","","","","0.997","","","","has coordinates","182749","2020-10-21","18:00:00",""
"7039028","10.334","0.002","18.758","0.004","9.188","0.0018","90","","95.9","0.03","90","","1771.6","0.6","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H18 Br2 Te2 -","- C16 H18 Br2 Te2 -","- C64 H72 Br8 Te8 -","4","1","","Yadav, Sangeeta; Raju, Saravanan; Singh, Harkesh B.; Butcher, Ray J.","Selone-stabilized aryltellurenyl cations.","Dalton transactions (Cambridge, England : 2003)","2016","45","20","8458","8467","10.1039/c6dt01081d","","","0.71073","MoKα","","0.0538","0.0375","","","0.0949","0.1184","","","","","","0.687","","","","has coordinates","185424","2020-10-21","18:00:00",""
"7039029","7.455","0.003","17","0.007","18.707","0.008","90","","92.214","0.007","90","","2369.1","1.7","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C23 H31 Br N2 Se Te -","- C23 H31 Br N2 Se Te -","- C92 H124 Br4 N8 Se4 Te4 -","4","1","","Yadav, Sangeeta; Raju, Saravanan; Singh, Harkesh B.; Butcher, Ray J.","Selone-stabilized aryltellurenyl cations.","Dalton transactions (Cambridge, England : 2003)","2016","45","20","8458","8467","10.1039/c6dt01081d","","","0.71073","MoKα","","0.0603","0.0541","","","0.1289","0.1318","","","","","","1.023","","","","has coordinates","211196","2020-10-21","18:00:00",""
"7039030","7.443","0.0019","16.986","0.005","18.627","0.005","90","","90.382","0.006","90","","2354.9","1.1","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C23 H31 Cl N2 Se Te -","- C23 H31 Cl N2 Se Te -","- C92 H124 Cl4 N8 Se4 Te4 -","4","1","","Yadav, Sangeeta; Raju, Saravanan; Singh, Harkesh B.; Butcher, Ray J.","Selone-stabilized aryltellurenyl cations.","Dalton transactions (Cambridge, England : 2003)","2016","45","20","8458","8467","10.1039/c6dt01081d","","","0.71073","MoKα","","0.0371","0.0321","","","0.0706","0.0722","","","","","","1.012","","","","has coordinates","211196","2020-10-21","18:00:00",""
"7039031","7.8058","0.0015","16.228","0.003","19.817","0.004","90","","93.629","0.003","90","","2505.2","0.8","100","","100","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C23 H31 B F4 N2 Se Te -","- C23 H31 B F4 N2 Se Te -","- C92 H124 B4 F16 N8 Se4 Te4 -","4","1","","Yadav, Sangeeta; Raju, Saravanan; Singh, Harkesh B.; Butcher, Ray J.","Selone-stabilized aryltellurenyl cations.","Dalton transactions (Cambridge, England : 2003)","2016","45","20","8458","8467","10.1039/c6dt01081d","","","0.7107","MoKα","","","0.0575","","","","0.2031","","","","","","0.912","","","","has coordinates","185424","2020-10-21","18:00:00",""
"7039032","11.579","0.002","15.339","0.003","26.53","0.005","90","","90","","90","","4712","1.5","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C26 H24 I P Te -","- C26 H24 I P Te -","- C208 H192 I8 P8 Te8 -","8","1","","Yadav, Sangeeta; Raju, Saravanan; Singh, Harkesh B.; Butcher, Ray J.","Selone-stabilized aryltellurenyl cations.","Dalton transactions (Cambridge, England : 2003)","2016","45","20","8458","8467","10.1039/c6dt01081d","","","0.71073","MoKα","","0.0249","0.0223","","","0.0678","0.0863","","","","","","1.295","","","","has coordinates","211196","2020-10-21","18:00:00",""
"7039033","8.996","0.004","14.28","0.006","9.201","0.004","90","","105.946","0.005","90","","1136.5","0.9","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C8 H9 Br3 Te -","- C8 H9 Br3 Te -","- C32 H36 Br12 Te4 -","4","1","","Yadav, Sangeeta; Raju, Saravanan; Singh, Harkesh B.; Butcher, Ray J.","Selone-stabilized aryltellurenyl cations.","Dalton transactions (Cambridge, England : 2003)","2016","45","20","8458","8467","10.1039/c6dt01081d","","","0.71075","MoKα","","0.0507","0.0425","","","0.0746","0.076","","","","","","0.834","","","","has coordinates","185424","2020-10-21","18:00:00",""
"7039034","7.4903","0.0003","17.1048","0.0008","18.6895","0.0008","90","","94.244","0.004","90","","2387.93","0.18","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C23 H31 I N2 Se Te -","- C23 H31 I N2 Se Te -","- C92 H124 I4 N8 Se4 Te4 -","4","1","","Yadav, Sangeeta; Raju, Saravanan; Singh, Harkesh B.; Butcher, Ray J.","Selone-stabilized aryltellurenyl cations.","Dalton transactions (Cambridge, England : 2003)","2016","45","20","8458","8467","10.1039/c6dt01081d","","","0.71073","MoKα","","0.0543","0.0419","","","0.093","0.1029","","","","","","1.045","","","","has coordinates","185424","2020-10-21","18:00:00",""
"7039035","15.1234","0.001","16.0574","0.001","19.3244","0.0012","96.26","0.003","106.117","0.003","111.79","0.003","4066.2","0.5","100","","100","","","","","","","","see text","7","P -1","-P 1","2","","","","- C132 H100 B4 F16 N20 O8 Pd2 -","- C132 H100 B4 F16 N20 O8 Pd2 -","- C132 H100 B4 F16 N20 O8 Pd2 -","1","0.5","","Schmidt, Andrea; Hollering, Manuela; Drees, Markus; Casini, Angela; Kühn, Fritz E","Supramolecular exo-functionalized palladium cages: fluorescent properties and biological activity.","Dalton transactions (Cambridge, England : 2003)","2016","45","20","8556","8565","10.1039/c6dt00654j","","x-ray","0.71073","MoKα","","0.0681","0.0573","","","0.1544","0.1605","","","","","","1.081","","","","has coordinates,has disorder","211179","2020-10-21","18:00:00",""
"7039036","9.6102","0.0004","15.9145","0.0007","17.2004","0.0008","79.7863","0.0013","76.3618","0.0014","74.1154","0.0012","2440.9","0.19","103","2","103","2","","","","","","","","6","P -1","-P 1","2","","[(p-MeOAr-BIAN)2InCl2][InCl4]","","- C52 H40 Cl6 In2 N4 O4 -","- C52 H40 Cl6 In2 N4 O4 -","- C104 H80 Cl12 In4 N8 O8 -","2","1","","Wang, Jingyi; Ganguly, Rakesh; Yongxin, Li; Díaz, Jesus; Soo, Han Sen; García, Felipe","A multi-step solvent-free mechanochemical route to indium(iii) complexes.","Dalton transactions (Cambridge, England : 2003)","2016","45","19","7941","7946","10.1039/c6dt00978f","","","0.71073","MoKα","","0.0469","0.0321","","","0.0605","0.0663","","","","","","1.024","","","","has coordinates","206489","2020-10-21","18:00:00",""
"7039037","12.412","0.001","19.7758","0.0015","13.5227","0.001","90","","107.797","0.003","90","","3160.4","0.4","103","2","103","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","(p-BrAr-BIAN)InCl3","","- C30 H28 Br2 Cl3 In N4 O2 -","- C30 H28 Br2 Cl3 In N4 O2 -","- C120 H112 Br8 Cl12 In4 N16 O8 -","4","1","","Wang, Jingyi; Ganguly, Rakesh; Yongxin, Li; Díaz, Jesus; Soo, Han Sen; García, Felipe","A multi-step solvent-free mechanochemical route to indium(iii) complexes.","Dalton transactions (Cambridge, England : 2003)","2016","45","19","7941","7946","10.1039/c6dt00978f","","","0.71073","MoKα","","0.0686","0.0388","","","0.0905","0.1151","","","","","","1.058","","","","has coordinates","185526","2020-10-21","18:00:00",""
"7039038","13.2288","0.0016","23.019","0.003","25.386","0.003","87.375","0.002","80.115","0.002","85.161","0.002","7584.6","1.6","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C55 H111 B2 Co5 N35 O108 W24 -","- C55 H75 B2 Co5 N35 O108 W24 -","- C110 H150 B4 Co10 N70 O216 W48 -","2","1","","Hu, Gonghao; Miao, Hao; Mei, Hua; Zhou, Shuai; Xu, Yan","Two novel bi-functional hybrid materials constructed from POMs and a Schiff base with excellent third-order NLO and catalytic properties.","Dalton transactions (Cambridge, England : 2003)","2016","45","19","7947","7951","10.1039/c6dt00138f","","","0.71073","MoKα","","0.0877","0.0524","","","0.13","0.1459","","","","","","1.024","","","","has coordinates","185530","2020-10-21","18:00:00",""
"7039039","13.0563","0.0013","22.736","0.002","25.199","0.003","87.645","0.001","79.83","0.001","84.888","0.001","7331","1.3","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C55 H107 B2 N35 O106 W24 Zn5 -","- C55 H75 B2 N35 O106 W24 Zn5 -","- C110 H150 B4 N70 O212 W48 Zn10 -","2","1","","Hu, Gonghao; Miao, Hao; Mei, Hua; Zhou, Shuai; Xu, Yan","Two novel bi-functional hybrid materials constructed from POMs and a Schiff base with excellent third-order NLO and catalytic properties.","Dalton transactions (Cambridge, England : 2003)","2016","45","19","7947","7951","10.1039/c6dt00138f","","","0.71073","MoKα","","0.1223","0.0711","","","0.1506","0.1682","","","","","","1.066","","","","has coordinates","185530","2020-10-21","18:00:00",""
"7039040","13.207","0.004","13.207","0.004","10.681","0.004","90","","90","","90","","1863","1.1","150","2","150","2","","","","","","","","7","I -4","I -4","82","","","","- C37 H44 Cu F3 O3 P4 S -","- C36 H44 Cu P4 -","- C72 H88 Cu2 P8 -","2","0.25","","Nell, Bryan P.; Swor, Charles D.; Henle, E. Adrian; Zakharov, Lev N.; Rinehart, N. Ian; Nathan, Aditya; Tyler, David R.","Synthesis of tetraphosphine macrocycles using copper(i) templates.","Dalton transactions (Cambridge, England : 2003)","2016","45","19","8253","8264","10.1039/c6dt00758a","","","0.71073","MoKα","","0.1026","0.0822","","","0.2187","0.2337","","","","","","1.081","","","","has coordinates","185544","2020-10-21","18:00:00",""
"7039041","16.0929","0.0011","10.6606","0.0008","26.1385","0.0018","90","","93.303","0.001","90","","4476.9","0.5","100","2","100","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C43 H47 B8 Cl3 N P2 Rh S -","- C43 H47 B8 Cl3 N P2 Rh S -","- C172 H188 B32 Cl12 N4 P8 Rh4 S4 -","4","1","","Luaces, Susana; Passarelli, Vincenzo; Artigas, María José; Lahoz, Fernando J.; Oro, Luis A.; Macías, Ramón","Postsynthetic modifications of [2,2,2-(H)(PPh3)2-closo-2,1-RhSB8H8] with Lewis bases: cluster modular tuning.","Dalton transactions (Cambridge, England : 2003)","2016","45","20","8622","8636","10.1039/c6dt00856a","","","0.71073","MoKα","","0.0951","0.0466","","","0.1014","0.1231","","","","","","1.037","","","","has coordinates","185412","2020-10-21","18:00:00",""
"7039042","9.5067","0.0013","12.22","0.0017","26.458","0.004","88.643","0.002","81.179","0.002","69.276","0.002","2839.2","0.7","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C55 H74 B8 Cl2 P3 Rh S -","- C55 H74 B8 Cl2 P3 Rh S -","- C110 H148 B16 Cl4 P6 Rh2 S2 -","2","1","","Luaces, Susana; Passarelli, Vincenzo; Artigas, María José; Lahoz, Fernando J.; Oro, Luis A.; Macías, Ramón","Postsynthetic modifications of [2,2,2-(H)(PPh3)2-closo-2,1-RhSB8H8] with Lewis bases: cluster modular tuning.","Dalton transactions (Cambridge, England : 2003)","2016","45","20","8622","8636","10.1039/c6dt00856a","","","0.71073","MoKα","","0.0458","0.0358","","","0.083","0.0877","","","","","","1.026","","","","has coordinates","185412","2020-10-21","18:00:00",""
"7039043","12.885","0.002","20.215","0.004","16.344","0.003","90","","101.309","0.002","90","","4174.5","1.3","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C42 H46 B8 N P2 Rh S -","- C42 H46 B8 N P2 Rh S -","- C168 H184 B32 N4 P8 Rh4 S4 -","4","1","","Luaces, Susana; Passarelli, Vincenzo; Artigas, María José; Lahoz, Fernando J.; Oro, Luis A.; Macías, Ramón","Postsynthetic modifications of [2,2,2-(H)(PPh3)2-closo-2,1-RhSB8H8] with Lewis bases: cluster modular tuning.","Dalton transactions (Cambridge, England : 2003)","2016","45","20","8622","8636","10.1039/c6dt00856a","","","0.71073","MoKα","","0.0273","0.0238","","","0.06","0.0624","","","","","","1.045","","","","has coordinates","185412","2020-10-21","18:00:00",""
"7039044","11.2617","0.0012","13.1022","0.0014","16.6998","0.0018","79.279","0.001","75.554","0.001","65.062","0.001","2154.5","0.4","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C85 H94 B16 Cl2 N2 P4 Rh2 S2 -","- C85 H94 B16 Cl2 N2 P4 Rh2 S2 -","- C85 H94 B16 Cl2 N2 P4 Rh2 S2 -","1","0.5","","Luaces, Susana; Passarelli, Vincenzo; Artigas, María José; Lahoz, Fernando J.; Oro, Luis A.; Macías, Ramón","Postsynthetic modifications of [2,2,2-(H)(PPh3)2-closo-2,1-RhSB8H8] with Lewis bases: cluster modular tuning.","Dalton transactions (Cambridge, England : 2003)","2016","45","20","8622","8636","10.1039/c6dt00856a","","","0.71073","MoKα","","0.0396","0.0317","","","0.072","0.0763","","","","","","1.036","","","","has coordinates,has disorder","185412","2020-10-21","18:00:00",""
"7039045","11.3115","0.0006","12.3519","0.0006","11.4514","0.0005","90","","93.359","0.004","90","","1597.22","0.13","180","1","180","1","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","CsCr(en)2GeSe4","","- C4 H16 Cr Cs Ge N4 Se4 -","- C4 H16 Cr Cs Ge N4 Se4 -","- C16 H64 Cr4 Cs4 Ge4 N16 Se16 -","4","1","","Wang, Yingqi; Wang, Ruiqi; Liu, Qinglong; Lai, Xiaofang; Zhang, Xian; Chen, Haijie; Zheng, Chong; Lin, Jianhua; Huang, Fuqiang","Solvothermal synthesis, structure and physical properties of Cs[Cr(en)2MSe4] (M = Ge, Sn) with [MSe4](4-) tetrahedra as chelating ligand.","Dalton transactions (Cambridge, England : 2003)","2016","45","22","9097","9102","10.1039/c6dt00233a","","","0.71073","MoKα","","0.055","0.0411","","","0.0871","0.0954","","","","","","1.038","","","","has coordinates","185302","2020-10-21","18:00:00",""
"7039046","7.68","0.0003","13.1483","0.0006","15.7069","0.0007","90","","91.176","0.004","90","","1585.73","0.12","180","1","180","1","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","CsCr(en)2SnSe4","","- C4 H16 Cr Cs N4 Se4 Sn -","- C4 H16 Cr Cs N4 Se4 Sn -","- C16 H64 Cr4 Cs4 N16 Se16 Sn4 -","4","1","","Wang, Yingqi; Wang, Ruiqi; Liu, Qinglong; Lai, Xiaofang; Zhang, Xian; Chen, Haijie; Zheng, Chong; Lin, Jianhua; Huang, Fuqiang","Solvothermal synthesis, structure and physical properties of Cs[Cr(en)2MSe4] (M = Ge, Sn) with [MSe4](4-) tetrahedra as chelating ligand.","Dalton transactions (Cambridge, England : 2003)","2016","45","22","9097","9102","10.1039/c6dt00233a","","","0.71073","MoKα","","0.0376","0.0296","","","0.0616","0.0649","","","","","","1.046","","","","has coordinates","185302","2020-10-21","18:00:00",""
"7039047","10.822","0.0019","22.135","0.004","17.435","0.003","90","","106.161","0.006","90","","4011.4","1.2","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C32 H39 Cl2 Fe N5 O9 -","- C32 H39 Cl2 Fe N5 O9 -","- C128 H156 Cl8 Fe4 N20 O36 -","4","1","","Lakshman, Triloke Ranjan; Chatterjee, Sayanti; Chakraborty, Biswarup; Paine, Tapan Kanti","Substrate-dependent aromatic ring fission of catechol and 2-aminophenol with O2 catalyzed by a nonheme iron complex of a tripodal N4 ligand.","Dalton transactions (Cambridge, England : 2003)","2016","45","21","8835","8844","10.1039/c5dt04541j","","","0.71073","MoKα","","0.1317","0.0993","","","0.2539","0.2636","","","","","","1.609","","","","has coordinates","185442","2020-10-21","18:00:00",""
"7039048","8.3918","0.0005","15.3888","0.0009","9.8617","0.0006","90","","99.8654","0.0015","90","","1254.71","0.13","100","","100","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C24 H22 Cl Fe N5 O6 -","- C24 H22 Cl Fe N5 O6 -","- C48 H44 Cl2 Fe2 N10 O12 -","2","1","","Lakshman, Triloke Ranjan; Chatterjee, Sayanti; Chakraborty, Biswarup; Paine, Tapan Kanti","Substrate-dependent aromatic ring fission of catechol and 2-aminophenol with O2 catalyzed by a nonheme iron complex of a tripodal N4 ligand.","Dalton transactions (Cambridge, England : 2003)","2016","45","21","8835","8844","10.1039/c5dt04541j","","x-ray","0.71073","MoKα","","0.0572","0.0393","","","0.0682","0.0753","","","","","","1.02","","","","has coordinates","185442","2020-10-21","18:00:00",""
"7039049","20.8489","0.0003","19.5533","0.0003","22.3388","0.0004","90","","98.1311","0.0016","90","","9015.2","0.3","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C100 H74 Cl6 Dy2 N4 O12 -","- C100 H74 Cl6 Dy2 N4 O12 -","- C400 H296 Cl24 Dy8 N16 O48 -","4","1","","Sun, Wen-Bin; Yan, Bing; Jia, Li-Hui; Wang, Bing-Wu; Yang, Qian; Cheng, Xin; Li, Hong-Feng; Chen, Peng; Wang, Zhe-Ming; Gao, Song","Dinuclear dysprosium SMMs bridged by a neutral bipyrimidine ligand: two crystal systems that depend on different lattice solvents lead to a distinct slow relaxation behaviour.","Dalton transactions (Cambridge, England : 2003)","2016","45","21","8790","8794","10.1039/c6dt01082b","","","0.7107","MoKα","","0.0461","0.0302","","","0.0637","0.0727","","","","","","1.069","","","","has coordinates","185433","2020-10-21","18:00:00",""
"7039050","13.3403","0.0005","13.7896","0.0005","15.0024","0.0006","63.104","0.004","69.918","0.004","64.26","0.004","2179.67","0.17","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C102 H75 Dy2 N6 O12 -","- C102 H78 Dy2 N6 O12 -","- C102 H78 Dy2 N6 O12 -","1","0.5","","Sun, Wen-Bin; Yan, Bing; Jia, Li-Hui; Wang, Bing-Wu; Yang, Qian; Cheng, Xin; Li, Hong-Feng; Chen, Peng; Wang, Zhe-Ming; Gao, Song","Dinuclear dysprosium SMMs bridged by a neutral bipyrimidine ligand: two crystal systems that depend on different lattice solvents lead to a distinct slow relaxation behaviour.","Dalton transactions (Cambridge, England : 2003)","2016","45","21","8790","8794","10.1039/c6dt01082b","","","0.71073","MoKα","","0.0302","0.0255","","","0.0556","0.059","","","","","","1.012","","","","has coordinates","185433","2020-10-21","18:00:00",""
"7039051","8.135","0.008","11.441","0.012","14.604","0.015","90","","98.293","0.017","90","","1345","2","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H11 K N4 O4 -","- C12 H11 K N4 O4 -","- C48 H44 K4 N16 O16 -","4","1","","Wang, Dan; Li, Shu-Mu; Li, Yu-Fei; Zheng, Xiang-Jun; Jin, Lin-Pei","Hydrogen bond-assisted aggregation-induced emission and application in the detection of the Zn(ii) ion.","Dalton transactions (Cambridge, England : 2003)","2016","45","20","8316","8319","10.1039/c6dt00265j","","","0.71073","MoKα","","0.0735","0.063","","","0.1997","0.2112","","","","","","1.06","","","","has coordinates","212110","2020-10-21","18:00:00",""
"7039052","10.017","0.003","10.064","0.003","13.15","0.004","90","","89.992","0.005","90","","1325.7","0.7","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C24 H22 N8 O10 Zn2 -","- C24 H22 N8 O10 Zn2 -","- C48 H44 N16 O20 Zn4 -","2","0.25","","Wang, Dan; Li, Shu-Mu; Li, Yu-Fei; Zheng, Xiang-Jun; Jin, Lin-Pei","Hydrogen bond-assisted aggregation-induced emission and application in the detection of the Zn(ii) ion.","Dalton transactions (Cambridge, England : 2003)","2016","45","20","8316","8319","10.1039/c6dt00265j","","","0.71073","MoKα","","0.0296","0.0269","","","0.0816","0.0835","","","","","","1.15","","","","has coordinates","185414","2020-10-21","18:00:00",""
"7039053","9.2619","0.0001","17.2697","0.0002","19.4857","0.0003","90","","90","","90","","3116.74","0.07","150","2","150","2","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C29 H33 Cl2 Cu I N2 P S2 -","- C29 H33 Cl2 Cu I N2 P S2 -","- C116 H132 Cl8 Cu4 I4 N8 P4 S8 -","4","1","","Cox, Katrina; Kariuki, Benson M.; Smyth, Alexander; Newman, Paul D.","N2S2 and N4S4 precursors to PS2 macrocycles and cyclic amidinium salts.","Dalton transactions (Cambridge, England : 2003)","2016","45","20","8485","8493","10.1039/c6dt00806b","","","1.54184","CuKα","","0.0318","0.029","","","0.0726","0.0744","","","","","","1.006","","","","has coordinates,has disorder","185416","2020-10-21","18:00:00",""
"7039054","10.0461","0.0004","11.1268","0.0004","12.0608","0.0004","87.564","0.002","82.717","0.002","73.014","0.002","1278.93","0.08","150","2","150","2","","","","","","","","6","P 1","P 1","1","","","","- C50 H62 F12 N4 P2 S4 -","- C50 H62 F12 N4 P2 S4 -","- C50 H62 F12 N4 P2 S4 -","1","1","","Cox, Katrina; Kariuki, Benson M.; Smyth, Alexander; Newman, Paul D.","N2S2 and N4S4 precursors to PS2 macrocycles and cyclic amidinium salts.","Dalton transactions (Cambridge, England : 2003)","2016","45","20","8485","8493","10.1039/c6dt00806b","","","0.71073","MoKα","","0.1279","0.0905","","","0.2522","0.2723","","","","","","1.13","","","","has coordinates","185416","2020-10-21","18:00:00",""
"7039055","13.39","0.003","24.074","0.005","13.179","0.003","90","","90","","90","","4248.3","1.6","293","2","293","2","","","","","","","","6","I b a 2","I 2 -2c","45","","","","- C32 H24 N4 O22 Sm2 Zn -","- C32 H24 N4 O22 Sm2 Zn -","- C128 H96 N16 O88 Sm8 Zn4 -","4","0.5","","Du, Pei-Yao; Gu, Wen; Liu, Xin","Highly selective luminescence sensing of nitrite and benzaldehyde based on 3d-4f heterometallic metal-organic frameworks.","Dalton transactions (Cambridge, England : 2003)","2016","45","21","8700","8704","10.1039/c6dt01360k","","","0.71073","MoKα","","0.1253","0.1244","","","0.2952","0.2993","","","","","","1.011","","","","has coordinates","185446","2020-10-21","18:00:00",""
"7039056","13.368","0.003","23.922","0.005","13.092","0.003","90","","90","","90","","4186.7","1.6","293","2","293","2","","","","","","","","6","I b a 2","I 2 -2c","45","","","","- C32 H24 N4 O22 Tb2 Zn -","- C32 H24 N4 O22 Tb2 Zn -","- C128 H96 N16 O88 Tb8 Zn4 -","4","0.5","","Du, Pei-Yao; Gu, Wen; Liu, Xin","Highly selective luminescence sensing of nitrite and benzaldehyde based on 3d-4f heterometallic metal-organic frameworks.","Dalton transactions (Cambridge, England : 2003)","2016","45","21","8700","8704","10.1039/c6dt01360k","","","0.71073","MoKα","","0.0503","0.0469","","","0.1562","0.1631","","","","","","1.02","","","","has coordinates","185446","2020-10-21","18:00:00",""
"7039057","8.7725","0.0006","12.4247","0.0009","16.5407","0.0012","70.79","0.001","84.197","0.001","87.941","0.001","1693.7","0.2","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C38 H32 N6 O5 Pd2 -","- C38 H32 N6 O5 Pd2 -","- C76 H64 N12 O10 Pd4 -","2","1","","Santana, M. D.; López-Banet, L; Sánchez, G; Pérez, J; Pérez, E; García, L; Serrano, J. L.; Espinosa, A.","Non-covalent stacking interactions directing the structural and photophysical features of mono- and dinuclear cyclometalated palladium(ii) complexes.","Dalton transactions (Cambridge, England : 2003)","2016","45","20","8601","8613","10.1039/c5dt04913j","","","0.71073","MoKα","","0.0238","0.0222","","","0.0572","0.0639","","","","","","1.136","","","","has coordinates","185427","2020-10-21","18:00:00",""
"7039058","9.307","0.0006","10.4711","0.0007","10.4887","0.0007","93.918","0.002","102.381","0.002","108.576","0.002","936.02","0.11","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C22 H16 Cl N3 O Pd -","- C22 H16 Cl N3 O Pd -","- C44 H32 Cl2 N6 O2 Pd2 -","2","1","","Santana, M. D.; López-Banet, L; Sánchez, G; Pérez, J; Pérez, E; García, L; Serrano, J. L.; Espinosa, A.","Non-covalent stacking interactions directing the structural and photophysical features of mono- and dinuclear cyclometalated palladium(ii) complexes.","Dalton transactions (Cambridge, England : 2003)","2016","45","20","8601","8613","10.1039/c5dt04913j","","","0.71073","MoKα","","0.0383","0.0313","","","0.0767","0.0799","","","","","","1.048","","","","has coordinates","185427","2020-10-21","18:00:00",""
"7039059","9.7804","0.001","17.4573","0.0018","22.148","0.002","90","","97.068","0.003","90","","3752.8","0.6","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C43 H30 Cl2 N4 O4 Pd2 -","- C43 H30 Cl2 N4 O4 Pd2 -","- C172 H120 Cl8 N16 O16 Pd8 -","4","1","","Santana, M. D.; López-Banet, L; Sánchez, G; Pérez, J; Pérez, E; García, L; Serrano, J. L.; Espinosa, A.","Non-covalent stacking interactions directing the structural and photophysical features of mono- and dinuclear cyclometalated palladium(ii) complexes.","Dalton transactions (Cambridge, England : 2003)","2016","45","20","8601","8613","10.1039/c5dt04913j","","","0.71073","MoKα","","0.1786","0.0763","","","0.1244","0.1602","","","","","","1.033","","","","has coordinates","185427","2020-10-21","18:00:00",""
"7039060","23.5263","0.0019","10.5734","0.0008","13.859","0.0011","90","","116.96","","90","","3072.8","0.4","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C34 H30 N6 Pd2 S2 -","- C34 H30 N6 Pd2 S2 -","- C136 H120 N24 Pd8 S8 -","4","0.5","","Santana, M. D.; López-Banet, L; Sánchez, G; Pérez, J; Pérez, E; García, L; Serrano, J. L.; Espinosa, A.","Non-covalent stacking interactions directing the structural and photophysical features of mono- and dinuclear cyclometalated palladium(ii) complexes.","Dalton transactions (Cambridge, England : 2003)","2016","45","20","8601","8613","10.1039/c5dt04913j","","","0.71073","MoKα","","0.0208","0.0201","","","0.0506","0.0511","","","","","","1.1","","","","has coordinates","185427","2020-10-21","18:00:00",""
"7039061","9.3779","0.0008","10.1838","0.0009","22.3045","0.0018","90","","90","","90","","2130.1","0.3","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C26 H19 Cl N2 O Pd -","- C26 H19 Cl N2 O Pd -","- C104 H76 Cl4 N8 O4 Pd4 -","4","1","","Santana, M. D.; López-Banet, L; Sánchez, G; Pérez, J; Pérez, E; García, L; Serrano, J. L.; Espinosa, A.","Non-covalent stacking interactions directing the structural and photophysical features of mono- and dinuclear cyclometalated palladium(ii) complexes.","Dalton transactions (Cambridge, England : 2003)","2016","45","20","8601","8613","10.1039/c5dt04913j","","","0.71073","MoKα","","0.0726","0.0475","","","0.0949","0.1002","","","","","","1.003","","","","has coordinates","185427","2020-10-21","18:00:00",""
"7039062","15.8891","0.0019","16.737","0.002","22.006","0.003","90","","90.2715","0.0008","90","","5852.1","1.3","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C57 H34 Mn3 N12 O26 -","- C57 H34 Mn3 N12 O26 -","- C228 H136 Mn12 N48 O104 -","4","1","","Li, Yu-Ling; Zhao, Dan; Zhao, Yue; Wang, Peng; Wang, Huai-Wei; Sun, Wei-Yin","Synthesis, structure, and magnetic and catalytic properties of metal frameworks with 2,2'-dinitro-4,4'-biphenyldicarboxylate and imidazole-containing tripodal ligands.","Dalton transactions (Cambridge, England : 2003)","2016","45","21","8816","8823","10.1039/c6dt00568c","","","0.71073","MoKα","","0.0657","0.0485","","","0.1234","0.1357","","","","","","1.064","","","","has coordinates","185448","2020-10-21","18:00:00",""
"7039063","16.033","0.005","16.586","0.005","22.266","0.005","90","0.005","90.444","0.005","90","0.005","5921","3","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C57 H34 Cd3 N12 O26 -","- C57 H34 Cd3 N12 O26 -","- C228 H136 Cd12 N48 O104 -","4","1","","Li, Yu-Ling; Zhao, Dan; Zhao, Yue; Wang, Peng; Wang, Huai-Wei; Sun, Wei-Yin","Synthesis, structure, and magnetic and catalytic properties of metal frameworks with 2,2'-dinitro-4,4'-biphenyldicarboxylate and imidazole-containing tripodal ligands.","Dalton transactions (Cambridge, England : 2003)","2016","45","21","8816","8823","10.1039/c6dt00568c","","","0.71069","MoKα","","0.0298","0.0264","","","0.0661","0.0682","","","","","","1.036","","","","has coordinates","185448","2020-10-21","18:00:00",""
"7039064","12.115","0.0012","25.751","0.0016","35.588","0.0013","90","","90.639","0.0014","90","","11101.8","1.4","123","2","123","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C109 H90 N23 O32 Zn3 -","- C79 H46 N19 O28 Zn3 -","- C316 H184 N76 O112 Zn12 -","4","1","","Li, Yu-Ling; Zhao, Dan; Zhao, Yue; Wang, Peng; Wang, Huai-Wei; Sun, Wei-Yin","Synthesis, structure, and magnetic and catalytic properties of metal frameworks with 2,2'-dinitro-4,4'-biphenyldicarboxylate and imidazole-containing tripodal ligands.","Dalton transactions (Cambridge, England : 2003)","2016","45","21","8816","8823","10.1039/c6dt00568c","","","0.71073","MoKα","","0.0814","0.0616","","","0.1884","0.1986","","","","","","1.048","","","","has coordinates,has disorder","185448","2020-10-21","18:00:00",""
"7039065","8.377","0.005","13.546","0.005","16.303","0.005","86.182","0.005","82.757","0.005","73.61","0.005","1759.7","1.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C32 H29 Cd N9 O11 -","- C32 H29 Cd N9 O11 -","- C64 H58 Cd2 N18 O22 -","2","1","","Li, Yu-Ling; Zhao, Dan; Zhao, Yue; Wang, Peng; Wang, Huai-Wei; Sun, Wei-Yin","Synthesis, structure, and magnetic and catalytic properties of metal frameworks with 2,2'-dinitro-4,4'-biphenyldicarboxylate and imidazole-containing tripodal ligands.","Dalton transactions (Cambridge, England : 2003)","2016","45","21","8816","8823","10.1039/c6dt00568c","","","0.71069","MoKα","","0.0303","0.0272","","","0.0714","0.0735","","","","","","1.038","","","","has coordinates","185448","2020-10-21","18:00:00",""
"7039066","5.2169","0.0006","6.5905","0.0007","9.3342","0.001","90","","92.267","0.002","90","","320.68","0.06","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C2 H4 As F6 N -","- C2 H4 As F6 N -","- C4 H8 As2 F12 N2 -","2","1","","Haiges, Ralf; Baxter, Amanda F.; Goetz, Nadine R.; Axhausen, Joachim A.; Soltner, Theresa; Kornath, Andreas; Christe, Karl O.","Protonation of nitriles: isolation and characterization of alkyl- and arylnitrilium ions.","Dalton transactions (Cambridge, England : 2003)","2016","45","20","8494","8499","10.1039/c6dt01301e","","","0.71073","MoKα","","0.0173","0.0169","","","0.0426","0.0427","","","","","","1.122","","","","has coordinates","185431","2020-10-21","18:00:00",""
"7039067","7.701","0.0015","16.831","0.003","8.4837","0.0017","90","","98.287","0.003","90","","1088.1","0.4","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C2 H4 F11 N Sb2 -","- C2 H4 F11 N Sb2 -","- C8 H16 F44 N4 Sb8 -","4","1","","Haiges, Ralf; Baxter, Amanda F.; Goetz, Nadine R.; Axhausen, Joachim A.; Soltner, Theresa; Kornath, Andreas; Christe, Karl O.","Protonation of nitriles: isolation and characterization of alkyl- and arylnitrilium ions.","Dalton transactions (Cambridge, England : 2003)","2016","45","20","8494","8499","10.1039/c6dt01301e","","","0.71073","MoKα","","0.0229","0.0183","","","0.0369","0.0382","","","","","","1.108","","","","has coordinates","185431","2020-10-21","18:00:00",""
"7039068","8.676","0.001","7.8918","0.0009","11.7685","0.0014","90","","108.761","0.0017","90","","762.97","0.15","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C3 H6 As F6 N -","- C3 H6 As F6 N -","- C12 H24 As4 F24 N4 -","4","1","","Haiges, Ralf; Baxter, Amanda F.; Goetz, Nadine R.; Axhausen, Joachim A.; Soltner, Theresa; Kornath, Andreas; Christe, Karl O.","Protonation of nitriles: isolation and characterization of alkyl- and arylnitrilium ions.","Dalton transactions (Cambridge, England : 2003)","2016","45","20","8494","8499","10.1039/c6dt01301e","","","0.71073","MoKα","","0.0488","0.0395","","","0.0992","0.1042","","","","","","1.124","","","","has coordinates","185431","2020-10-21","18:00:00",""
"7039069","6.0657","0.0003","8.0332","0.0004","8.9481","0.0005","94.12","0.004","105.177","0.004","94.836","0.004","417.3","0.04","100","2","100","2","","","","","","","","5","P -1","-P 1","2","PrCNHAsF6","","","- C4 H8 As F6 N -","- C4 H8 As F6 N -","- C8 H16 As2 F12 N2 -","2","1","","Haiges, Ralf; Baxter, Amanda F.; Goetz, Nadine R.; Axhausen, Joachim A.; Soltner, Theresa; Kornath, Andreas; Christe, Karl O.","Protonation of nitriles: isolation and characterization of alkyl- and arylnitrilium ions.","Dalton transactions (Cambridge, England : 2003)","2016","45","20","8494","8499","10.1039/c6dt01301e","","","1.54178","CuKα","","0.0704","0.06","","","0.1512","0.1601","","","","","","1.063","","","","has coordinates","185431","2020-10-21","18:00:00",""
"7039070","14.703","0.004","10.26","0.003","16.759","0.004","90","","90","","90","","2528.1","1.2","100","2","100","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C4 H10 As2 F12 N2 -","- C4 H10 As2 F12 N2 -","- C32 H80 As16 F96 N16 -","8","2","","Haiges, Ralf; Baxter, Amanda F.; Goetz, Nadine R.; Axhausen, Joachim A.; Soltner, Theresa; Kornath, Andreas; Christe, Karl O.","Protonation of nitriles: isolation and characterization of alkyl- and arylnitrilium ions.","Dalton transactions (Cambridge, England : 2003)","2016","45","20","8494","8499","10.1039/c6dt01301e","","","0.71073","MoKα","","0.0331","0.0263","","","0.0547","0.0568","","","","","","1.032","","","","has coordinates","185431","2020-10-21","18:00:00",""
"7039071","10.3956","0.001","9.5385","0.0009","19.5358","0.0019","90","","90","","90","","1937.1","0.3","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C7 H6 As F6 N -","- C7 H6 As F6 N -","- C56 H48 As8 F48 N8 -","8","1","","Haiges, Ralf; Baxter, Amanda F.; Goetz, Nadine R.; Axhausen, Joachim A.; Soltner, Theresa; Kornath, Andreas; Christe, Karl O.","Protonation of nitriles: isolation and characterization of alkyl- and arylnitrilium ions.","Dalton transactions (Cambridge, England : 2003)","2016","45","20","8494","8499","10.1039/c6dt01301e","","","0.71073","MoKα","","0.0966","0.0606","","","0.1092","0.1187","","","","","","1.123","","","","has coordinates,has disorder","185431","2020-10-21","18:00:00",""
"7039072","11.194","0.0009","9.7842","0.0008","9.5122","0.0008","90","","92.445","0.001","90","","1040.87","0.15","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C8 H8 As F6 N -","- C8 H8 As F6 N -","- C32 H32 As4 F24 N4 -","4","1","","Haiges, Ralf; Baxter, Amanda F.; Goetz, Nadine R.; Axhausen, Joachim A.; Soltner, Theresa; Kornath, Andreas; Christe, Karl O.","Protonation of nitriles: isolation and characterization of alkyl- and arylnitrilium ions.","Dalton transactions (Cambridge, England : 2003)","2016","45","20","8494","8499","10.1039/c6dt01301e","","","0.71073","MoKα","","0.0226","0.0184","","","0.0439","0.0453","","","","","","1.06","","","","has coordinates","185431","2020-10-21","18:00:00",""
"7039073","6.1068","0.0005","12.0339","0.001","9.5336","0.0008","90","","98.397","0.001","90","","693.1","0.1","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C8 H6 As2 F12 N2 -","- C8 H6 As2 F12 N2 -","- C16 H12 As4 F24 N4 -","2","0.5","","Haiges, Ralf; Baxter, Amanda F.; Goetz, Nadine R.; Axhausen, Joachim A.; Soltner, Theresa; Kornath, Andreas; Christe, Karl O.","Protonation of nitriles: isolation and characterization of alkyl- and arylnitrilium ions.","Dalton transactions (Cambridge, England : 2003)","2016","45","20","8494","8499","10.1039/c6dt01301e","","","0.71073","MoKα","","0.0171","0.0145","","","0.0355","0.0363","","","","","","1.072","","","","has coordinates","185431","2020-10-21","18:00:00",""
"7039074","8.55009","0.00011","19.9687","0.0003","15.16204","0.00017","90","","91.5613","0.0011","90","","2587.72","0.06","123","0.14","123","1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C33 H33 Fe P -","- C33 H33 Fe P -","- C132 H132 Fe4 P4 -","4","1","","Hoidn, Christian M.; Wolf, Robert","Reaction of a 2,4,6-triphenylphosphinine ferrate anion with electrophiles: a new route to phosphacyclohexadienyl complexes.","Dalton transactions (Cambridge, England : 2003)","2016","45","21","8875","8884","10.1039/c6dt00336b","","x-ray","1.54184","CuKα","","0.0363","0.0332","","","0.0803","0.0857","","","","","","1.075","","","","has coordinates","185432","2020-10-21","18:00:00",""
"7039075","10.68583","0.0001","12.90255","0.00008","19.40989","0.00015","90","","103.817","0.0008","90","","2598.69","0.04","123.01","0.1","123","1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C33 H33 Fe P -","- C33 H33 Fe P -","- C132 H132 Fe4 P4 -","4","1","","Hoidn, Christian M.; Wolf, Robert","Reaction of a 2,4,6-triphenylphosphinine ferrate anion with electrophiles: a new route to phosphacyclohexadienyl complexes.","Dalton transactions (Cambridge, England : 2003)","2016","45","21","8875","8884","10.1039/c6dt00336b","","x-ray","1.54184","CuKα","","0.0314","0.029","","","0.0767","0.0785","","","","","","1.07","","","","has coordinates","185432","2020-10-21","18:00:00",""
"7039076","13.87702","0.00014","20.79053","0.0002","14.68647","0.00016","90","","105.53","0.0011","90","","4082.5","0.08","123.01","0.1","123","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C51 H47 Fe P Sn -","- C51 H47 Fe P Sn -","- C204 H188 Fe4 P4 Sn4 -","4","1","","Hoidn, Christian M.; Wolf, Robert","Reaction of a 2,4,6-triphenylphosphinine ferrate anion with electrophiles: a new route to phosphacyclohexadienyl complexes.","Dalton transactions (Cambridge, England : 2003)","2016","45","21","8875","8884","10.1039/c6dt00336b","","x-ray","1.54184","CuKα","","0.0348","0.0331","","","0.0899","0.0912","","","","","","1.069","","","","has coordinates","185432","2020-10-21","18:00:00",""
"7039077","11.4433","0.0003","12.5938","0.0003","15.2161","0.0005","99.662","0.003","105.624","0.003","108.818","0.003","1919.34","0.12","123.01","0.1","123","1","","","","","","","","6","P -1","-P 1","2","","","","- C45 H48 B Fe O5 P -","- C45 H48 B Fe O5 P -","- C90 H96 B2 Fe2 O10 P2 -","2","1","","Hoidn, Christian M.; Wolf, Robert","Reaction of a 2,4,6-triphenylphosphinine ferrate anion with electrophiles: a new route to phosphacyclohexadienyl complexes.","Dalton transactions (Cambridge, England : 2003)","2016","45","21","8875","8884","10.1039/c6dt00336b","","x-ray","1.54184","CuKα","","0.0347","0.0337","","","0.0904","0.0913","","","","","","1.064","","","","has coordinates","185432","2020-10-21","18:00:00",""
"7039078","20.8847","0.0005","8.53295","0.00015","22.0647","0.0005","90","","116.708","0.003","90","","3512.59","0.16","123.01","0.1","123","1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C45 H42 Fe P2 -","- C45 H42 Fe P2 -","- C180 H168 Fe4 P8 -","4","1","","Hoidn, Christian M.; Wolf, Robert","Reaction of a 2,4,6-triphenylphosphinine ferrate anion with electrophiles: a new route to phosphacyclohexadienyl complexes.","Dalton transactions (Cambridge, England : 2003)","2016","45","21","8875","8884","10.1039/c6dt00336b","","x-ray","1.54184","CuKα","","0.0382","0.0352","","","0.0855","0.0876","","","","","","1.034","","","","has coordinates","185432","2020-10-21","18:00:00",""
"7039079","10.6876","0.0002","16.433","0.0003","17.8191","0.0003","90","","90","","90","","3129.56","0.1","122.8","0.6","123","1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C36 H41 Fe P Si -","- C36 H41 Fe P Si -","- C144 H164 Fe4 P4 Si4 -","4","1","","Hoidn, Christian M.; Wolf, Robert","Reaction of a 2,4,6-triphenylphosphinine ferrate anion with electrophiles: a new route to phosphacyclohexadienyl complexes.","Dalton transactions (Cambridge, England : 2003)","2016","45","21","8875","8884","10.1039/c6dt00336b","","x-ray","1.54184","CuKα","","0.04","0.0383","","","0.0983","0.1001","","","","","","1.042","","","","has coordinates","185432","2020-10-21","18:00:00",""
"7039080","9.89052","0.00005","16.24733","0.00007","17.19538","0.00011","90","","99.3153","0.0005","90","","2726.76","0.03","123.01","0.1","123","1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C34 H35 Fe P -","- C34 H35 Fe P -","- C136 H140 Fe4 P4 -","4","1","","Hoidn, Christian M.; Wolf, Robert","Reaction of a 2,4,6-triphenylphosphinine ferrate anion with electrophiles: a new route to phosphacyclohexadienyl complexes.","Dalton transactions (Cambridge, England : 2003)","2016","45","21","8875","8884","10.1039/c6dt00336b","","x-ray","1.54184","CuKα","","0.0302","0.0291","","","0.0767","0.0776","","","","","","1.046","","","","has coordinates","185432","2020-10-21","18:00:00",""
"7039081","19.0813","0.0014","19.8561","0.0016","20.3191","0.0013","90","","101.408","0.003","90","","7546.4","1","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C78 H106 Cl2 Fe2 N4 O5 -","- C78 H106 Cl2 Fe2 N4 O5 -","- C312 H424 Cl8 Fe8 N16 O20 -","4","0.5","","Cuesta-Aluja, L; Castilla, J.; Masdeu-Bultó, A M","Aluminium salabza complexes for fixation of CO2 to organic carbonates.","Dalton transactions (Cambridge, England : 2003)","2016","45","37","14658","14667","10.1039/c6dt01069e","","","0.71073","MoKα","","0.0804","0.0477","","","0.1009","0.1139","","","","","","1.046","","","","has coordinates,has disorder","187131","2020-10-21","18:00:00",""
"7039082","13.1775","0.0008","23.4462","0.0015","13.3026","0.0008","90","","117.093","0.002","90","","3659","0.4","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C39 H51 Co N2 O4 -","- C39 H51 Co N2 O4 -","- C156 H204 Co4 N8 O16 -","4","1","","Cuesta-Aluja, L; Castilla, J.; Masdeu-Bultó, A M","Aluminium salabza complexes for fixation of CO2 to organic carbonates.","Dalton transactions (Cambridge, England : 2003)","2016","45","37","14658","14667","10.1039/c6dt01069e","","","0.71073","MoKα","","0.0979","0.0731","","","0.1982","0.2184","","","","","","1.276","","","","has coordinates,has disorder","187131","2020-10-21","18:00:00",""
"7039083","30.732","0.005","12.284","0.002","26.514","0.004","90","","120.596","0.004","90","","8616","2","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C43 H62 Cl Cr N2 O4.5 -","- C43 H62 Cl Cr N2 O4.5 -","- C344 H496 Cl8 Cr8 N16 O36 -","8","1","","Cuesta-Aluja, L; Castilla, J.; Masdeu-Bultó, A M","Aluminium salabza complexes for fixation of CO2 to organic carbonates.","Dalton transactions (Cambridge, England : 2003)","2016","45","37","14658","14667","10.1039/c6dt01069e","","","0.71073","MoKα","","0.2873","0.092","","","0.173","0.2385","","","","","","0.929","","","","has coordinates,has disorder","187131","2020-10-21","18:00:00",""
"7039084","13.1928","0.0005","18.7757","0.0006","11.891","0.0004","90","","116.096","0.0009","90","","2645.18","0.16","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C27 H41 N3 P2 -","- C27 H41 N3 P2 -","- C108 H164 N12 P8 -","4","1","","Peulecke, N.; Müller, B H; Spannenberg, A.; Höhne, M; Rosenthal, U.; Wöhl, A; Müller, W; Alqahtani, A.; Al Hazmi, M.","Ligands with an NPNPN-framework and their application in chromium catalysed ethene tri-/tetramerization.","Dalton transactions (Cambridge, England : 2003)","2016","45","21","8869","8874","10.1039/c6dt01109h","","","0.71073","MoKα","","0.0557","0.0461","","","0.1213","0.1318","","","","","","1.023","","","","has coordinates","185437","2020-10-21","18:00:00",""
"7039085","10.8808","0.0003","16.6923","0.0004","17.5806","0.0004","90","","98.4501","0.0007","90","","3158.42","0.14","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C31 H41 Cr N3 O4 P2 -","- C31 H41 Cr N3 O4 P2 -","- C124 H164 Cr4 N12 O16 P8 -","4","1","","Peulecke, N.; Müller, B H; Spannenberg, A.; Höhne, M; Rosenthal, U.; Wöhl, A; Müller, W; Alqahtani, A.; Al Hazmi, M.","Ligands with an NPNPN-framework and their application in chromium catalysed ethene tri-/tetramerization.","Dalton transactions (Cambridge, England : 2003)","2016","45","21","8869","8874","10.1039/c6dt01109h","","","0.71073","MoKα","","0.0427","0.0305","","","0.0732","0.0802","","","","","","1.019","","","","has coordinates","185437","2020-10-21","18:00:00",""
"7039086","28.2829","0.0008","9.4907","0.0003","18.7206","0.0005","90","","107.055","0.0006","90","","4804.1","0.2","150","2","150","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C24 H37 N3 P2 -","- C24 H37 N3 P2 -","- C192 H296 N24 P16 -","8","1","","Peulecke, N.; Müller, B H; Spannenberg, A.; Höhne, M; Rosenthal, U.; Wöhl, A; Müller, W; Alqahtani, A.; Al Hazmi, M.","Ligands with an NPNPN-framework and their application in chromium catalysed ethene tri-/tetramerization.","Dalton transactions (Cambridge, England : 2003)","2016","45","21","8869","8874","10.1039/c6dt01109h","","","0.71073","MoKα","","0.0373","0.0317","","","0.0814","0.0859","","","","","","1.05","","","","has coordinates","185437","2020-10-21","18:00:00",""
"7039087","19.642","0.0004","12.6315","0.0002","18.2652","0.0003","90","","90","","90","","4531.74","0.14","150","2","150","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C21 H33 N3 P2 -","- C21 H33 N3 P2 -","- C168 H264 N24 P16 -","8","1","","Peulecke, N.; Müller, B H; Spannenberg, A.; Höhne, M; Rosenthal, U.; Wöhl, A; Müller, W; Alqahtani, A.; Al Hazmi, M.","Ligands with an NPNPN-framework and their application in chromium catalysed ethene tri-/tetramerization.","Dalton transactions (Cambridge, England : 2003)","2016","45","21","8869","8874","10.1039/c6dt01109h","","","0.71073","MoKα","","0.0492","0.0394","","","0.0976","0.1032","","","","","","1.152","","","","has coordinates","185437","2020-10-21","18:00:00",""
"7039088","9.814","0.0003","6.7216","0.0002","20.346","0.0006","90","","99.8118","0.001","90","","1322.51","0.07","150","2","150","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C29 H33 N3 O2 P2 -","- C29 H33 N3 O2 P2 -","- C58 H66 N6 O4 P4 -","2","1","","Peulecke, N.; Müller, B H; Spannenberg, A.; Höhne, M; Rosenthal, U.; Wöhl, A; Müller, W; Alqahtani, A.; Al Hazmi, M.","Ligands with an NPNPN-framework and their application in chromium catalysed ethene tri-/tetramerization.","Dalton transactions (Cambridge, England : 2003)","2016","45","21","8869","8874","10.1039/c6dt01109h","","","0.71073","MoKα","","0.0333","0.03","","","0.0741","0.076","","","","","","1.074","","","","has coordinates","185437","2020-10-21","18:00:00",""
"7039089","14.6955","0.0006","11.8223","0.0005","14.3639","0.0005","90","","94.7107","0.0007","90","","2487.08","0.17","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C27 H29 N3 O2 P2 -","- C27 H29 N3 O2 P2 -","- C108 H116 N12 O8 P8 -","4","1","","Peulecke, N.; Müller, B H; Spannenberg, A.; Höhne, M; Rosenthal, U.; Wöhl, A; Müller, W; Alqahtani, A.; Al Hazmi, M.","Ligands with an NPNPN-framework and their application in chromium catalysed ethene tri-/tetramerization.","Dalton transactions (Cambridge, England : 2003)","2016","45","21","8869","8874","10.1039/c6dt01109h","","","0.71073","MoKα","","0.0596","0.0362","","","0.0844","0.0971","","","","","","1.024","","","","has coordinates","185437","2020-10-21","18:00:00",""
"7039090","10.5529","0.0002","14.8073","0.0003","17.6501","0.0003","90","","106.706","0.001","90","","2641.6","0.09","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C26 H41 N3 P2 -","- C26 H41 N3 P2 -","- C104 H164 N12 P8 -","4","1","","Peulecke, N.; Müller, B H; Spannenberg, A.; Höhne, M; Rosenthal, U.; Wöhl, A; Müller, W; Alqahtani, A.; Al Hazmi, M.","Ligands with an NPNPN-framework and their application in chromium catalysed ethene tri-/tetramerization.","Dalton transactions (Cambridge, England : 2003)","2016","45","21","8869","8874","10.1039/c6dt01109h","","","0.71073","MoKα","","0.0402","0.0324","","","0.0866","0.0944","","","","","","1.054","","","","has coordinates","185437","2020-10-21","18:00:00",""
"7039091","14.356","0.003","18.063","0.002","19.496","0.003","90","","92.9","0.02","90","","5049.1","1.4","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","bis{2-(diphenylphosphanyl)phenyl}3-(2-methoxyphenyl)-1- (pyridine-2-yl)imidazo[1,5-a]pyridinecopper(I) hexafluorophosphate","","","- C55 H43 Cu F6 N3 O2 P3 -","- C55 H43 Cu F6 N3 O2 P3 -","- C220 H172 Cu4 F24 N12 O8 P12 -","4","1","","Weber, Michael D.; Garino, Claudio; Volpi, Giorgio; Casamassa, Enrico; Milanesio, Marco; Barolo, Claudia; Costa, Rubén D","Origin of a counterintuitive yellow light-emitting electrochemical cell based on a blue-emitting heteroleptic copper(i) complex.","Dalton transactions (Cambridge, England : 2003)","2016","45","21","8984","8993","10.1039/c6dt00970k","","","0.71073","MoKα","","0.1863","0.1235","","","0.2487","0.2916","","","","","","1.072","","","","has coordinates","185438","2020-10-21","18:00:00",""
"7039092","18.453","0.002","8.3383","0.0009","9.4995","0.0013","90","","90","","90","","1461.7","0.3","293","2","293","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- Ba Co4 O18 P4 -","- Ba Co4 O18 P4 -","- Ba4 Co16 O72 P16 -","4","0.5","","Guo, Wenbin; Tang, Yingying; Zhang, Suyun; Chen, Sihuai; Xiang, Hongping; Xu, Jinqiu; Cui, Meiyan; Wang, Lin; Qiu, Chaoqun; He, Zhangzhen","BaCo4(OH)2(H2PO4)(HPO4)2(PO4): Archimedean lattice T11 in distorted layers built from Co4O12(OH)4 squares.","Dalton transactions (Cambridge, England : 2003)","2016","45","21","8708","8711","10.1039/c6dt01014h","","","0.71073","MoKα","","0.0619","0.0492","","","0.1112","0.119","","","","","","1.157","","","","has coordinates","185439","2020-10-21","18:00:00",""
"7039093","8.6247","0.0006","13.0708","0.001","13.251","0.001","81.217","0.004","71.522","0.004","89.82","0.004","1398.55","0.18","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C18 Cl10 F5 P -","- C18 Cl10 F5 P -","- C36 Cl20 F10 P2 -","2","1","","Postle, Shawn; Podgorny, Vitali; Stephan, Douglas W.","Electrophilic phosphonium cations (EPCs) with perchlorinated-aryl substituents: towards air-stable phosphorus-based Lewis acid catalysts.","Dalton transactions (Cambridge, England : 2003)","2016","45","37","14651","14657","10.1039/c6dt01339b","","","0.71073","MoKα","","0.0729","0.0398","","","0.0957","0.1012","","","","","","0.907","","","","has coordinates","187133","2020-10-21","18:00:00",""
"7039094","11.8072","0.0004","20.1065","0.0008","21.837","0.0007","90","","100.528","0.002","90","","5096.9","0.3","150","2","150","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C42 H5 B Cl10 F21 O0 P -","- C42 H5 B Cl10 F21 P -","- C168 H20 B4 Cl40 F84 P4 -","4","1","","Postle, Shawn; Podgorny, Vitali; Stephan, Douglas W.","Electrophilic phosphonium cations (EPCs) with perchlorinated-aryl substituents: towards air-stable phosphorus-based Lewis acid catalysts.","Dalton transactions (Cambridge, England : 2003)","2016","45","37","14651","14657","10.1039/c6dt01339b","","","0.71073","MoKα","","0.1131","0.0431","","","0.0872","0.1043","","","","","","0.603","","","","has coordinates","187133","2020-10-21","18:00:00",""
"7039095","13.3969","0.0009","10.5584","0.0008","11.6957","0.0009","90","","90","","90","","1654.4","0.2","150","2","150","2","","","","","","","","2","P b c n","-P 2n 2ab","60","","","","- C6 Cl5 -","- C6 Cl5 -","- C48 Cl40 -","8","1","","Postle, Shawn; Podgorny, Vitali; Stephan, Douglas W.","Electrophilic phosphonium cations (EPCs) with perchlorinated-aryl substituents: towards air-stable phosphorus-based Lewis acid catalysts.","Dalton transactions (Cambridge, England : 2003)","2016","45","37","14651","14657","10.1039/c6dt01339b","","","0.71073","MoKα","","0.0322","0.0244","","","0.0561","0.06","","","","","","0.99","","","","has coordinates","187133","2020-10-21","18:00:00",""
"7039096","10.8832","0.0006","11.057","0.0005","29.4458","0.0015","90","","90","","90","","3543.4","0.3","150","2","149.95","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C18 H10 Cl5 P -","- C18 H10 Cl5 P -","- C144 H80 Cl40 P8 -","8","1","","Postle, Shawn; Podgorny, Vitali; Stephan, Douglas W.","Electrophilic phosphonium cations (EPCs) with perchlorinated-aryl substituents: towards air-stable phosphorus-based Lewis acid catalysts.","Dalton transactions (Cambridge, England : 2003)","2016","45","37","14651","14657","10.1039/c6dt01339b","","","0.71073","MoKα","","0.0593","0.0297","","","0.0574","0.063","","","","","","0.8411","","","","has coordinates","187133","2020-10-21","18:00:00",""
"7039097","11.285","0.0004","10.8896","0.0004","30.4034","0.0011","90","","90","","90","","3736.2","0.2","150","2","150.03","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C18 H10 Cl5 F2 P -","- C18 H10 Cl5 F2 P -","- C144 H80 Cl40 F16 P8 -","8","1","","Postle, Shawn; Podgorny, Vitali; Stephan, Douglas W.","Electrophilic phosphonium cations (EPCs) with perchlorinated-aryl substituents: towards air-stable phosphorus-based Lewis acid catalysts.","Dalton transactions (Cambridge, England : 2003)","2016","45","37","14651","14657","10.1039/c6dt01339b","","","0.71073","MoKα","","0.0334","0.0255","","","0.0603","0.0654","","","","","","1.0658","","","","has coordinates","187133","2020-10-21","18:00:00",""
"7039098","17.647","0.002","17.84","0.002","18.241","0.002","90","","96.149","0.006","90","","5709.6","1.1","100","2","99.97","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","(trithiocarbonate-κ2-S,S)- (N,N'-bis(2,6-di-isopropylphenyl)-2,2,6,6-tetramethylheptane-3,5-di-iminato)-(1,4,7,10,13,16-hexaoxacyclooctadecane)-nickel(II)-potassium","","- C55 H85 K N2 Ni O6 S3 -","- C55 H85 K N2 Ni O6 S3 -","- C220 H340 K4 N8 Ni4 O24 S12 -","4","1","","Hartmann, Nathaniel J.; Wu, Guang; Hayton, Trevor W.","Activation of CS2 by a ""masked"" terminal nickel sulfide.","Dalton transactions (Cambridge, England : 2003)","2016","45","37","14508","14510","10.1039/c6dt00885b","","","0.71073","MoKα","","0.1378","0.0629","","","0.1118","0.1359","","","","","","1.007","","","","has coordinates,has disorder","187136","2020-10-21","18:00:00",""
"7039099","20.3006","0.0012","18.4498","0.0014","17.4145","0.0012","90","","90.816","0.004","90","","6521.8","0.8","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","(trithiocarbonate-κ2-S,S)- (k2-S,S (N,N'-bis(2,6-di-isopropylphenyl)-2,2,6,6-tetramethylheptane-3,5-di-iminato-4-dithiocarbalato)-(4,7,13,16,21,24-Hexaoxa-1,10-diazabicyclo[8.8.8]hexacosane)-nickel(II)-potassium","","- C59 H99 K N4 Ni O7 S5 -","- C59 H99 K N4 Ni O7 S5 -","- C236 H396 K4 N16 Ni4 O28 S20 -","4","1","","Hartmann, Nathaniel J.; Wu, Guang; Hayton, Trevor W.","Activation of CS2 by a ""masked"" terminal nickel sulfide.","Dalton transactions (Cambridge, England : 2003)","2016","45","37","14508","14510","10.1039/c6dt00885b","","","0.71073","MoKα","","0.2613","0.1404","","","0.3083","0.3594","","","","","","1.391","","","","has coordinates,has disorder","187136","2020-10-21","18:00:00",""
"7039100","7.0753","0.0003","15.6291","0.0006","11.8798","0.0004","90","","90.947","0.001","90","","1313.5","0.09","200","2","200","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C14 H16 Al N O -","- C14 H16 Al N O -","- C56 H64 Al4 N4 O4 -","4","1","","Wang, Peng; Hao, Xiaomin; Cheng, Jianhua; Chao, Jianbin; Chen, Xia","Aluminum chelates supported by β-quinolyl enolate ligands: synthesis and ROP of ε-CL.","Dalton transactions (Cambridge, England : 2003)","2016","45","22","9088","9096","10.1039/c6dt00001k","","","0.71073","MoKα","","0.0385","0.0357","","","0.0977","0.1011","","","","","","1.044","","","","has coordinates","185304","2020-10-21","18:00:00",""
"7039101","8.4914","0.0017","13.955","0.003","14.174","0.003","90","","101.02","0.03","90","","1648.6","0.6","200","2","200","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C17 H22 Al N O -","- C17 H22 Al N O -","- C68 H88 Al4 N4 O4 -","4","1","","Wang, Peng; Hao, Xiaomin; Cheng, Jianhua; Chao, Jianbin; Chen, Xia","Aluminum chelates supported by β-quinolyl enolate ligands: synthesis and ROP of ε-CL.","Dalton transactions (Cambridge, England : 2003)","2016","45","22","9088","9096","10.1039/c6dt00001k","","","0.71073","MoKα","","0.0559","0.0418","","","0.1338","0.1576","","","","","","1.028","","","","has coordinates","185304","2020-10-21","18:00:00",""
"7039102","10.9124","0.0004","11.7506","0.0004","13.87","0.0005","90","","99.836","0.001","90","","1752.37","0.11","200","2","200","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H20 Al N O2 -","- C20 H20 Al N O2 -","- C80 H80 Al4 N4 O8 -","4","1","","Wang, Peng; Hao, Xiaomin; Cheng, Jianhua; Chao, Jianbin; Chen, Xia","Aluminum chelates supported by β-quinolyl enolate ligands: synthesis and ROP of ε-CL.","Dalton transactions (Cambridge, England : 2003)","2016","45","22","9088","9096","10.1039/c6dt00001k","","","0.71073","MoKα","","0.0428","0.0392","","","0.1249","0.1344","","","","","","1.028","","","","has coordinates","185304","2020-10-21","18:00:00",""
"7039103","19.546","0.004","7.187","0.0014","12.178","0.002","90","","90","","90","","1710.7","0.6","200","2","200","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C20 H20 Al N O -","- C20 H20 Al N O -","- C80 H80 Al4 N4 O4 -","4","0.5","","Wang, Peng; Hao, Xiaomin; Cheng, Jianhua; Chao, Jianbin; Chen, Xia","Aluminum chelates supported by β-quinolyl enolate ligands: synthesis and ROP of ε-CL.","Dalton transactions (Cambridge, England : 2003)","2016","45","22","9088","9096","10.1039/c6dt00001k","","","0.71073","MoKα","","0.0614","0.0563","","","0.1675","0.1778","","","","","","1.056","","","","has coordinates","185304","2020-10-21","18:00:00",""
"7039104","10.5275","0.0004","18.9855","0.0008","13.0549","0.0005","90","","103.324","0.001","90","","2539.05","0.17","299","2","299","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C58 H60 Al2 N2 O6 -","- C58 H60 Al2 N2 O6 -","- C116 H120 Al4 N4 O12 -","2","0.5","","Wang, Peng; Hao, Xiaomin; Cheng, Jianhua; Chao, Jianbin; Chen, Xia","Aluminum chelates supported by β-quinolyl enolate ligands: synthesis and ROP of ε-CL.","Dalton transactions (Cambridge, England : 2003)","2016","45","22","9088","9096","10.1039/c6dt00001k","","","0.71073","MoKα","","0.0543","0.0417","","","0.1005","0.1095","","","","","","1.038","","","","has coordinates","185304","2020-10-21","18:00:00",""
"7039105","12.3943","0.0005","13.26","0.0006","14.1991","0.0006","102.772","0.002","104.015","0.002","90.825","0.002","2202.41","0.17","100","2","100","2","","","","","","","","8","P 1","P 1","1","MDRhS","","","- C40 H42 Cl4 F6 N4 P Rh S2 -","- C40 H42 Cl4 F6 N4 P Rh S2 -","- C80 H84 Cl8 F12 N8 P2 Rh2 S4 -","2","2","","Ma, Jiajia; Shen, Xiaodong; Harms, Klaus; Meggers, Eric","Expanding the family of bis-cyclometalated chiral-at-metal rhodium(iii) catalysts with a benzothiazole derivative.","Dalton transactions (Cambridge, England : 2003)","2016","45","20","8320","8323","10.1039/c6dt01063f","","","0.71073","MoKα","","0.0401","0.0371","","","0.09","0.0915","","","","","","1.07","","","","has coordinates,has disorder","185415","2020-10-21","18:00:00",""
"7039106","9.9533","0.0007","13.4582","0.001","15.8253","0.0012","90","","102.666","0.002","90","","2068.3","0.3","100","2","100","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C49 H43 F N3 O2 Rh S2 -","- C49 H43 F N3 O2 Rh S2 -","- C98 H86 F2 N6 O4 Rh2 S4 -","2","1","","Ma, Jiajia; Shen, Xiaodong; Harms, Klaus; Meggers, Eric","Expanding the family of bis-cyclometalated chiral-at-metal rhodium(iii) catalysts with a benzothiazole derivative.","Dalton transactions (Cambridge, England : 2003)","2016","45","20","8320","8323","10.1039/c6dt01063f","","","0.71073","MoKα","","0.0498","0.0406","","","0.0897","0.0938","","","","","","1.035","","","","has coordinates","185415","2020-10-21","18:00:00",""
"7039107","25.139","0.005","11.924","0.005","16.545","0.005","90","","116.956","0.005","90","","4421","2","298","2","298","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C31 H62 Co2 Gd N5 O23 -","- C28 H40 Co2 Gd N5 O18 -","- C112 H160 Co8 Gd4 N20 O72 -","4","0.5","","Goura, Joydeb; Brambleby, Jamie; Topping, Craig V.; Goddard, Paul A.; Suriya Narayanan, Ramakirushnan; Bar, Arun Kumar; Chandrasekhar, Vadapalli","Heterometallic trinuclear {CoLn(III)} (Ln = Gd, Tb, Ho and Er) complexes in a bent geometry. Field-induced single-ion magnetic behavior of the Er(III) and Tb(III) analogues.","Dalton transactions (Cambridge, England : 2003)","2016","45","22","9235","9249","10.1039/c5dt03871e","","","0.71069","MoKα","","0.0455","0.0365","","","0.0998","0.1036","","","","","","1.097","","","","has coordinates,has disorder","185309","2020-10-21","18:00:00",""
"7039108","25.196","0.005","11.877","0.005","16.58","0.005","90","","117.333","0.005","90","","4408","2","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C28 H58 Co2 N5 O24 Tb -","- C28 H40 Co2 N5 O18 Tb -","- C112 H160 Co8 N20 O72 Tb4 -","4","0.5","","Goura, Joydeb; Brambleby, Jamie; Topping, Craig V.; Goddard, Paul A.; Suriya Narayanan, Ramakirushnan; Bar, Arun Kumar; Chandrasekhar, Vadapalli","Heterometallic trinuclear {CoLn(III)} (Ln = Gd, Tb, Ho and Er) complexes in a bent geometry. Field-induced single-ion magnetic behavior of the Er(III) and Tb(III) analogues.","Dalton transactions (Cambridge, England : 2003)","2016","45","22","9235","9249","10.1039/c5dt03871e","","","0.71069","MoKα","","0.0915","0.0601","","","0.1444","0.1873","","","","","","1.14","","","","has coordinates,has disorder","185309","2020-10-21","18:00:00",""
"7039109","25.251","0.005","11.921","0.005","16.799","0.005","90","","117.387","0.005","90","","4490","2","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C32 H62 Co2 Ho N5 O22 -","- C28 H36 Co2 Ho N5 O18 -","- C112 H144 Co8 Ho4 N20 O72 -","4","0.5","","Goura, Joydeb; Brambleby, Jamie; Topping, Craig V.; Goddard, Paul A.; Suriya Narayanan, Ramakirushnan; Bar, Arun Kumar; Chandrasekhar, Vadapalli","Heterometallic trinuclear {CoLn(III)} (Ln = Gd, Tb, Ho and Er) complexes in a bent geometry. Field-induced single-ion magnetic behavior of the Er(III) and Tb(III) analogues.","Dalton transactions (Cambridge, England : 2003)","2016","45","22","9235","9249","10.1039/c5dt03871e","","","0.71069","MoKα","","0.043","0.035","","","0.0933","0.097","","","","","","1.042","","","","has coordinates,has disorder","185309","2020-10-21","18:00:00",""
"7039110","25.231","0.005","11.986","0.005","16.814","0.005","90","","116.896","0.005","90","","4535","2","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C31 H64 Co2 Er N5 O24 -","- C28 H42 Co2 Er N5 O18 -","- C112 H168 Co8 Er4 N20 O72 -","4","0.5","","Goura, Joydeb; Brambleby, Jamie; Topping, Craig V.; Goddard, Paul A.; Suriya Narayanan, Ramakirushnan; Bar, Arun Kumar; Chandrasekhar, Vadapalli","Heterometallic trinuclear {CoLn(III)} (Ln = Gd, Tb, Ho and Er) complexes in a bent geometry. Field-induced single-ion magnetic behavior of the Er(III) and Tb(III) analogues.","Dalton transactions (Cambridge, England : 2003)","2016","45","22","9235","9249","10.1039/c5dt03871e","","","0.71069","MoKα","","0.0542","0.0432","","","0.1119","0.1194","","","","","","1.007","","","","has coordinates,has disorder","185309","2020-10-21","18:00:00",""
"7039111","17.9643","0.0004","22.2539","0.0009","20.8724","0.0004","90","","108.065","0.002","90","","7933","0.4","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C66 H75 B2 N9 O9 Zn2 -","- C66 H75 B2 N9 O9 Zn2 -","- C264 H300 B8 N36 O36 Zn8 -","4","1","","Marmier, Mathieu; Cecot, Giacomo; Curchod, Basile F. E.; Pattison, Philip; Solari, Euro; Scopelliti, Rosario; Severin, Kay","Surface functionalization of dinuclear clathrochelates via Pd-catalyzed cross-coupling reactions: facile synthesis of polypyridyl metalloligands.","Dalton transactions (Cambridge, England : 2003)","2016","45","20","8422","8427","10.1039/c6dt01288d","","","0.69791","synchrotron","","0.0909","0.0834","","","0.2197","0.2267","","","","","","1.039","","","","has coordinates,has disorder","185418","2020-10-21","18:00:00",""
"7039112","16.9652","0.0002","25.8649","0.0002","14.1059","0.0001","90","","90","","90","","6189.71","0.1","100","2","100","2","","","","","","","","6","C 2 2 21","C 2c 2","20","","","","- C57 H52 B2 N12 O9 Zn2 -","- C57 H52 B2 N12 O9 Zn2 -","- C228 H208 B8 N48 O36 Zn8 -","4","0.5","","Marmier, Mathieu; Cecot, Giacomo; Curchod, Basile F. E.; Pattison, Philip; Solari, Euro; Scopelliti, Rosario; Severin, Kay","Surface functionalization of dinuclear clathrochelates via Pd-catalyzed cross-coupling reactions: facile synthesis of polypyridyl metalloligands.","Dalton transactions (Cambridge, England : 2003)","2016","45","20","8422","8427","10.1039/c6dt01288d","","x-ray","0.69791","synchrotron","","0.0293","0.0293","","","0.0819","0.0819","","","","","","1.081","","","","has coordinates","185418","2020-10-21","18:00:00",""
"7039113","24.0018","0.0008","26.454","0.0008","25.9813","0.001","90","","115.749","0.005","90","","14858.6","1.1","140","2","140","2","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C65 H50 B2 N11.5 O9 Zn2 -","- C65 H50 B2 N11.5 O9 Zn2 -","- C520 H400 B16 N92 O72 Zn16 -","8","1","","Marmier, Mathieu; Cecot, Giacomo; Curchod, Basile F. E.; Pattison, Philip; Solari, Euro; Scopelliti, Rosario; Severin, Kay","Surface functionalization of dinuclear clathrochelates via Pd-catalyzed cross-coupling reactions: facile synthesis of polypyridyl metalloligands.","Dalton transactions (Cambridge, England : 2003)","2016","45","20","8422","8427","10.1039/c6dt01288d","","","0.71073","MoKα","","0.0759","0.0492","","","0.1314","0.1508","","","","","","1.022","","","","has coordinates","185418","2020-10-21","18:00:00",""
"7039114","7.446","0.002","8.349","0.003","9.137","0.003","110.335","0.007","106.166","0.003","105.161","0.007","469.3","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- Cl4 Cu7 Na2 O14 Se4 -","- Cl4 Cu7 Na2 O14 Se4 -","- Cl4 Cu7 Na2 O14 Se4 -","1","0.5","","Tang, Yingying; Guo, Wenbin; Zhang, Suyun; Xiang, Hongping; Cui, Meiyan; He, Zhangzhen","Na2Cu7(SeO3)4O2Cl4: a selenite chloride compound with Cu7 units showing spin-frustration and a magnetization plateau.","Dalton transactions (Cambridge, England : 2003)","2016","45","20","8324","8326","10.1039/c6dt01120a","","","0.71073","MoKα","","0.0269","0.0221","","","0.0486","0.0501","","","","","","1.032","","","","has coordinates","185419","2020-10-21","18:00:00",""
"7039115","21.607","0.004","6.255","0.0013","26.077","0.005","90","","90","","90","","3524.4","1.2","113","2","113","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C18 H24 Cu N2 O5 -","- C18 H24 Cu N2 O5 -","- C144 H192 Cu8 N16 O40 -","8","1","","Lian, Wen-Jing; Wang, Xin-Tian; Xie, Cheng-Zhi; Tian, He; Song, Xue-Qing; Pan, He-Ting; Qiao, Xin; Xu, Jing-Yuan","Mixed-ligand copper(ii) Schiff base complexes: the role of the co-ligand in DNA binding, DNA cleavage, protein binding and cytotoxicity.","Dalton transactions (Cambridge, England : 2003)","2016","45","22","9073","9087","10.1039/c6dt00461j","","","0.71073","MoKα","","0.0636","0.0562","","","0.1241","0.1284","","","","","","1.143","","","","has coordinates","185312","2020-10-21","18:00:00",""
"7039116","11.6184","0.0012","16.4826","0.0018","12.0036","0.0014","90","","101.565","0.002","90","","2252","0.4","386","2","386","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H24 Cu N2 O7 -","- C20 H18 Cu N2 O7 -","- C80 H72 Cu4 N8 O28 -","4","1","","Lian, Wen-Jing; Wang, Xin-Tian; Xie, Cheng-Zhi; Tian, He; Song, Xue-Qing; Pan, He-Ting; Qiao, Xin; Xu, Jing-Yuan","Mixed-ligand copper(ii) Schiff base complexes: the role of the co-ligand in DNA binding, DNA cleavage, protein binding and cytotoxicity.","Dalton transactions (Cambridge, England : 2003)","2016","45","22","9073","9087","10.1039/c6dt00461j","","","0.71073","MoKα","","0.0403","0.0379","","","0.1136","0.1153","","","","","","1.098","","","","has coordinates","185312","2020-10-21","18:00:00",""
"7039117","25.619","0.007","10.632","0.003","7.5173","0.0017","90","","99.056","0.005","90","","2022","0.9","113","","113","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C23 H24 Cu N2 O4 -","- C23 H24 Cu N2 O4 -","- C92 H96 Cu4 N8 O16 -","4","1","","Lian, Wen-Jing; Wang, Xin-Tian; Xie, Cheng-Zhi; Tian, He; Song, Xue-Qing; Pan, He-Ting; Qiao, Xin; Xu, Jing-Yuan","Mixed-ligand copper(ii) Schiff base complexes: the role of the co-ligand in DNA binding, DNA cleavage, protein binding and cytotoxicity.","Dalton transactions (Cambridge, England : 2003)","2016","45","22","9073","9087","10.1039/c6dt00461j","","","0.71073","MoKα","","0.0185","0.0178","","","0.0528","0.053","","","","","","1.047","","","","has coordinates","185312","2020-10-21","18:00:00",""
"7039118","25.496","0.003","10.9096","0.0011","7.4583","0.0008","90","","101.245","0.002","90","","2034.7","0.4","386","2","386","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C23 H23 Cu N2 O5 -","- C23 H23 Cu N2 O5 -","- C92 H92 Cu4 N8 O20 -","4","1","","Lian, Wen-Jing; Wang, Xin-Tian; Xie, Cheng-Zhi; Tian, He; Song, Xue-Qing; Pan, He-Ting; Qiao, Xin; Xu, Jing-Yuan","Mixed-ligand copper(ii) Schiff base complexes: the role of the co-ligand in DNA binding, DNA cleavage, protein binding and cytotoxicity.","Dalton transactions (Cambridge, England : 2003)","2016","45","22","9073","9087","10.1039/c6dt00461j","","","0.71073","MoKα","","0.0181","0.0176","","","0.0498","0.05","","","","","","0.971","","","","has coordinates","185312","2020-10-21","18:00:00",""
"7039119","19.1825","0.001","19.3041","0.001","19.3498","0.001","76.569","0.003","75.823","0.003","75.935","0.003","6624.1","0.6","200","2","200","2","","","","","","","","7","P -1","-P 1","2","","","","- C133.6 H338 Cl2 Cu14 Mo6 N90.8 O80.8 -","- C133.6 H196.2 Cl2 Cu14 Mo6 N90.8 O76.8 -","- C133.6 H196.2 Cl2 Cu14 Mo6 N90.8 O76.8 -","1","0.5","","Bridonneau, N.; Chamoreau, L.-M.; Gontard, G.; Cantin, J.-L.; von Bardeleben, J.; Marvaud, V.","A high-nuclearity metal-cyanide cluster [Mo6Cu14] with photomagnetic properties.","Dalton transactions (Cambridge, England : 2003)","2016","45","23","9412","9418","10.1039/c6dt00743k","","","0.71073","MoKα","","0.1388","0.1048","","","0.2529","0.2688","","","","","","1.111","","","","has coordinates,has disorder","185518","2020-10-21","18:00:00",""
"7039120","33.5532","0.0015","16.9349","0.0007","27.2581","0.0011","90","","90","","90","","15488.6","1.1","200","1","200","1","","","","","","","","7","P n n m","-P 2 2n","58","","","","- C60 H84 Cl0.5 Cu4 Mo3 N36 O40.5 -","- C60 H84 Cl0.5 Cu4 Mo3 N36 O40.5 -","- C240 H336 Cl2 Cu16 Mo12 N144 O162 -","4","0.5","","Bridonneau, N.; Chamoreau, L.-M.; Gontard, G.; Cantin, J.-L.; von Bardeleben, J.; Marvaud, V.","A high-nuclearity metal-cyanide cluster [Mo6Cu14] with photomagnetic properties.","Dalton transactions (Cambridge, England : 2003)","2016","45","23","9412","9418","10.1039/c6dt00743k","","","0.71073","MoKα","","0.1382","0.1086","","","0.2902","0.3113","","","","","","1.197","","","","has coordinates,has disorder","185518","2020-10-21","18:00:00",""
"7039121","12.908","0.0002","24.6246","0.0004","13.3941","0.0002","90","","97.854","0.001","90","","4217.44","0.11","173","0.14","173","0.14","","","","","","","","8","P 1 21 1","P 2yb","4","","","","- C42 H86 Ce2 Co2 N4 O44 P6 Re6 -","- C42 H86 Ce2 Co2 N4 O44 P6 Re6 -","- C84 H172 Ce4 Co4 N8 O88 P12 Re12 -","2","1","","Wong, Kang-Long; So, Yat-Ming; Wang, Guo-Cang; Sung, Herman H.-Y.; Williams, Ian D.; Leung, Wa-Hung","Heterobimetallic cerium(iv) oxo clusters supported by a tripodal oxygen ligand.","Dalton transactions (Cambridge, England : 2003)","2016","45","21","8770","8776","10.1039/c6dt00678g","","x-ray","1.5418","CuKα","","0.0553","0.0529","","","0.1333","0.1357","","","","","","1.004","","","","has coordinates,has disorder","185447","2020-10-21","18:00:00",""
"7039122","32.0185","0.0008","17.4325","0.0004","24.4487","0.0007","90","","107.71","0.003","90","","12999.6","0.6","99.9","0.4","99.9","0.4","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C74 H153.67 Ce4 Co4 O53.5 P12 V4 -","- C73.9994 H144.666 Ce4 Co4 O53.5 P12 V4 -","- C295.998 H578.665 Ce16 Co16 O214 P48 V16 -","4","0.5","","Wong, Kang-Long; So, Yat-Ming; Wang, Guo-Cang; Sung, Herman H.-Y.; Williams, Ian D.; Leung, Wa-Hung","Heterobimetallic cerium(iv) oxo clusters supported by a tripodal oxygen ligand.","Dalton transactions (Cambridge, England : 2003)","2016","45","21","8770","8776","10.1039/c6dt00678g","","x-ray","1.54184","CuKα","","0.0584","0.0426","","","0.1135","0.1222","","","","","","1.003","","","","has coordinates,has disorder","185447","2020-10-21","18:00:00",""
"7039123","12.0101","0.0005","5.6681","0.0002","20.4103","0.0008","90","","90.425","0.004","90","","1389.38","0.09","150.87","0.1","150.87","0.1","","","","","","","","7","P 1 2/c 1","-P 2yc","13","","","","- C8 H24 F1.33 Mn2 N2.67 O12 S2.67 -","- C8 H24 F1.33333 Mn2 N2.66667 O12 S2.66667 -","- C24 H72 F4 Mn6 N8 O36 S8 -","3","0.75","","Marshall, Kayleigh L.; Wang, Qianlong; Sullivan, Hannah S. I.; Weller, Mark T.","Synthesis and structural characterisation of transition metal fluoride sulfates.","Dalton transactions (Cambridge, England : 2003)","2016","45","21","8854","8861","10.1039/c6dt00582a","","","1.54184","CuKα","","0.0294","0.0256","","","0.0591","0.0604","","","","","","1.003","","","","has coordinates","185451","2020-10-21","18:00:00",""
"7039124","10.222","0.0003","17.6599","0.0004","7.0437","0.0002","90","","93.894","0.002","90","","1268.59","0.06","150.2","0.1","150.2","0.1","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C6 H16 F Fe N2 O8 S2 -","- C6 H16 F Fe N2 O8 S2 -","- C24 H64 F4 Fe4 N8 O32 S8 -","4","1","","Marshall, Kayleigh L.; Wang, Qianlong; Sullivan, Hannah S. I.; Weller, Mark T.","Synthesis and structural characterisation of transition metal fluoride sulfates.","Dalton transactions (Cambridge, England : 2003)","2016","45","21","8854","8861","10.1039/c6dt00582a","","","1.54184","CuKα","","0.0423","0.0406","","","0.1195","0.1216","","","","","","1.072","","","","has coordinates","185451","2020-10-21","18:00:00",""
"7039125","10.262","0.002","17.761","0.004","7.0518","0.0014","90","","93.93","0.03","90","","1282.3","0.5","150","5","150","5","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C6 H16 F N2 O8 S2 V -","- C6 H16 F N2 O8 S2 V -","- C24 H64 F4 N8 O32 S8 V4 -","4","1","","Marshall, Kayleigh L.; Wang, Qianlong; Sullivan, Hannah S. I.; Weller, Mark T.","Synthesis and structural characterisation of transition metal fluoride sulfates.","Dalton transactions (Cambridge, England : 2003)","2016","45","21","8854","8861","10.1039/c6dt00582a","","","0.71073","MoKα","","0.0822","0.0736","","","0.1957","0.212","","","","","","1.059","","","","has coordinates","185451","2020-10-21","18:00:00",""
"7039126","4.5768","0.0003","8.9162","0.0006","10.1236","0.0009","112.888","0.007","95.196","0.006","98.706","0.005","371.11","0.05","150.2","0.5","150.2","0.5","","","","","","","","7","P -1","-P 1","2","","","","- C10 H10 F2 N2 O8 S2 Ti -","- C10 H10 F2 N2 O8 S2 Ti -","- C10 H10 F2 N2 O8 S2 Ti -","1","0.5","","Marshall, Kayleigh L.; Wang, Qianlong; Sullivan, Hannah S. I.; Weller, Mark T.","Synthesis and structural characterisation of transition metal fluoride sulfates.","Dalton transactions (Cambridge, England : 2003)","2016","45","21","8854","8861","10.1039/c6dt00582a","","","0.71073","MoKα","","0.0451","0.0346","","","0.0778","0.0825","","","","","","1.073","","","","has coordinates","185451","2020-10-21","18:00:00",""
"7039127","8.691","0.002","9.208","0.002","9.288","0.002","68.56","0.02","84.3","0.02","81.59","0.02","683.6","0.3","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C10 H10 F4 N2 O4 S Ti -","- C10 H10 F4 N2 O4 S Ti -","- C20 H20 F8 N4 O8 S2 Ti2 -","2","1","","Marshall, Kayleigh L.; Wang, Qianlong; Sullivan, Hannah S. I.; Weller, Mark T.","Synthesis and structural characterisation of transition metal fluoride sulfates.","Dalton transactions (Cambridge, England : 2003)","2016","45","21","8854","8861","10.1039/c6dt00582a","","","0.71073","MoKα","","0.1027","0.0581","","","0.1043","0.1282","","","","","","1.045","","","","has coordinates","185451","2020-10-21","18:00:00",""
"7039128","8.5868","0.0002","10.8679","0.0002","15.2298","0.0004","83.209","0.001","75.04","0.001","88.326","0.001","1363.45","0.05","200","2","200","2","","","","","","","","6","P -1","-P 1","2","","","","- C25 H20 Cl4 N3 O3 Re -","- C25 H20 Cl4 N3 O3 Re -","- C50 H40 Cl8 N6 O6 Re2 -","2","1","","Bulsink, Philip; Al-Ghamdi, Ahlam; Joshi, Prajesh; Korobkov, Ilia; Woo, Tom; Richeson, Darrin","Capturing Re(i) in an neutral N,N,N pincer Scaffold and resulting enhanced absorption of visible light.","Dalton transactions (Cambridge, England : 2003)","2016","45","21","8885","8896","10.1039/c6dt00661b","","","0.71073","MoKα","","0.0355","0.0323","","","0.1052","0.1086","","","","","","1.043","","","","has coordinates","185434","2020-10-21","18:00:00",""
"7039129","8.291","0.0002","12.2983","0.0003","12.6178","0.0003","67.122","0.001","85.8827","0.0011","79.6549","0.0011","1166.1","0.05","200","2","200","2","","","","","","","","6","P -1","-P 1","2","","","","- C24 H19 Br N3 O3 Re -","- C24 H19 Br N3 O3 Re -","- C48 H38 Br2 N6 O6 Re2 -","2","1","","Bulsink, Philip; Al-Ghamdi, Ahlam; Joshi, Prajesh; Korobkov, Ilia; Woo, Tom; Richeson, Darrin","Capturing Re(i) in an neutral N,N,N pincer Scaffold and resulting enhanced absorption of visible light.","Dalton transactions (Cambridge, England : 2003)","2016","45","21","8885","8896","10.1039/c6dt00661b","","","0.71073","MoKα","","0.0228","0.0213","","","0.0543","0.0554","","","","","","1.056","","","","has coordinates","185434","2020-10-21","18:00:00",""
"7039130","8.018","0.0002","9.6338","0.0003","17.7434","0.0005","84.346","0.002","87.266","0.002","71.691","0.002","1294.65","0.07","200","2","200","2","","","","","","","","6","P -1","-P 1","2","","","","- C28 H27 Cl N3 O3 Re -","- C28 H27 Cl N3 O3 Re -","- C56 H54 Cl2 N6 O6 Re2 -","2","1","","Bulsink, Philip; Al-Ghamdi, Ahlam; Joshi, Prajesh; Korobkov, Ilia; Woo, Tom; Richeson, Darrin","Capturing Re(i) in an neutral N,N,N pincer Scaffold and resulting enhanced absorption of visible light.","Dalton transactions (Cambridge, England : 2003)","2016","45","21","8885","8896","10.1039/c6dt00661b","","","0.71073","MoKα","","0.0522","0.0459","","","0.1126","0.1162","","","","","","1.083","","","","has coordinates","185434","2020-10-21","18:00:00",""
"7039131","8.1121","0.0002","9.8192","0.0003","17.6928","0.0005","84.75","0.0016","87.4045","0.0015","72.1162","0.0014","1335.37","0.07","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C28 H27 Br N3 O3 Re -","- C28 H27 Br N3 O3 Re -","- C56 H54 Br2 N6 O6 Re2 -","2","1","","Bulsink, Philip; Al-Ghamdi, Ahlam; Joshi, Prajesh; Korobkov, Ilia; Woo, Tom; Richeson, Darrin","Capturing Re(i) in an neutral N,N,N pincer Scaffold and resulting enhanced absorption of visible light.","Dalton transactions (Cambridge, England : 2003)","2016","45","21","8885","8896","10.1039/c6dt00661b","","","0.71073","MoKα","","0.0293","0.0259","","","0.0637","0.0653","","","","","","1.033","","","","has coordinates","185434","2020-10-21","18:00:00",""
"7039132","15.578","0.0007","31.7032","0.0014","15.4332","0.0007","90","","111.164","0.002","90","","7107.9","0.6","200","2","200","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C72.5 H87 Cl3 N6 O6 Re2 -","- C72.5 H87 Cl3 N6 O6 Re2 -","- C290 H348 Cl12 N24 O24 Re8 -","4","1","","Bulsink, Philip; Al-Ghamdi, Ahlam; Joshi, Prajesh; Korobkov, Ilia; Woo, Tom; Richeson, Darrin","Capturing Re(i) in an neutral N,N,N pincer Scaffold and resulting enhanced absorption of visible light.","Dalton transactions (Cambridge, England : 2003)","2016","45","21","8885","8896","10.1039/c6dt00661b","","","0.71073","MoKα","","0.0842","0.0631","","","0.1478","0.1603","","","","","","1.079","","","","has coordinates,has disorder","185434","2020-10-21","18:00:00",""
"7039133","9.8736","0.0004","14.8202","0.0004","16.3472","0.0004","69.289","0.001","80.801","0.002","79.836","0.002","2189.99","0.12","200","2","200","2","","","","","","","","6","P -1","-P 1","2","","","","- C19 H12 Cl4 N3 O3 Re -","- C19 H12 Cl4 N3 O3 Re -","- C76 H48 Cl16 N12 O12 Re4 -","4","2","","Bulsink, Philip; Al-Ghamdi, Ahlam; Joshi, Prajesh; Korobkov, Ilia; Woo, Tom; Richeson, Darrin","Capturing Re(i) in an neutral N,N,N pincer Scaffold and resulting enhanced absorption of visible light.","Dalton transactions (Cambridge, England : 2003)","2016","45","21","8885","8896","10.1039/c6dt00661b","","","0.71073","MoKα","","0.0613","0.0404","","","0.0824","0.0921","","","","","","1.061","","","","has coordinates","192220","2020-10-21","18:00:00",""
"7039134","31.1537","0.0007","7.1176","0.0002","16.8519","0.0004","90","","111.023","0.001","90","","3488","0.15","200","2","200","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C18 H11 Br N3 O3 Re -","- C18 H11 Br N3 O3 Re -","- C144 H88 Br8 N24 O24 Re8 -","8","1","","Bulsink, Philip; Al-Ghamdi, Ahlam; Joshi, Prajesh; Korobkov, Ilia; Woo, Tom; Richeson, Darrin","Capturing Re(i) in an neutral N,N,N pincer Scaffold and resulting enhanced absorption of visible light.","Dalton transactions (Cambridge, England : 2003)","2016","45","21","8885","8896","10.1039/c6dt00661b","","","0.71073","MoKα","","0.0301","0.0246","","","0.0661","0.0694","","","","","","1.068","","","","has coordinates","185434","2020-10-21","18:00:00",""
"7039135","11.6013","0.0007","12.4262","0.0007","15.5501","0.0009","90","","100.114","0.002","90","","2206.9","0.2","200","2","200","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C23 H19 Cl N3 O2 Re -","- C23 H19 Cl N3 O2 Re -","- C92 H76 Cl4 N12 O8 Re4 -","4","1","","Bulsink, Philip; Al-Ghamdi, Ahlam; Joshi, Prajesh; Korobkov, Ilia; Woo, Tom; Richeson, Darrin","Capturing Re(i) in an neutral N,N,N pincer Scaffold and resulting enhanced absorption of visible light.","Dalton transactions (Cambridge, England : 2003)","2016","45","21","8885","8896","10.1039/c6dt00661b","","","0.71073","MoKα","","0.0237","0.0195","","","0.0494","0.0524","","","","","","1.029","","","","has coordinates","185434","2020-10-21","18:00:00",""
"7039136","13.5989","0.0004","14.5801","0.0004","15.3708","0.0004","90","","90","","90","","3047.62","0.15","200","2","200","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C28 H28 Cl4 N3 O2 Re -","- C28 H28 Cl4 N3 O2 Re -","- C112 H112 Cl16 N12 O8 Re4 -","4","1","","Bulsink, Philip; Al-Ghamdi, Ahlam; Joshi, Prajesh; Korobkov, Ilia; Woo, Tom; Richeson, Darrin","Capturing Re(i) in an neutral N,N,N pincer Scaffold and resulting enhanced absorption of visible light.","Dalton transactions (Cambridge, England : 2003)","2016","45","21","8885","8896","10.1039/c6dt00661b","","","0.71073","MoKα","","0.0187","0.0173","","","0.0441","0.0446","","","","","","1.045","","","","has coordinates","185434","2020-10-21","18:00:00",""
"7039137","13.6894","0.0003","14.7004","0.0004","15.2437","0.0004","90","","90","","90","","3067.64","0.13","200","2","200","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C28 H28 Br Cl3 N3 O2 Re -","- C28 H28 Br Cl3 N3 O2 Re -","- C112 H112 Br4 Cl12 N12 O8 Re4 -","4","1","","Bulsink, Philip; Al-Ghamdi, Ahlam; Joshi, Prajesh; Korobkov, Ilia; Woo, Tom; Richeson, Darrin","Capturing Re(i) in an neutral N,N,N pincer Scaffold and resulting enhanced absorption of visible light.","Dalton transactions (Cambridge, England : 2003)","2016","45","21","8885","8896","10.1039/c6dt00661b","","","0.71073","MoKα","","0.0202","0.0187","","","0.0475","0.048","","","","","","1.032","","","","has coordinates","185434","2020-10-21","18:00:00",""
"7039138","8.5275","0.0003","14.2521","0.0005","17.4637","0.0006","77.948","0.002","85.684","0.002","79.89","0.002","2041.79","0.12","200","2","200","2","","","","","","","","6","P -1","-P 1","2","","","","- C36 H24 Cl8 N6 O4 Re2 -","- C36 H24 Cl8 N6 O4 Re2 -","- C72 H48 Cl16 N12 O8 Re4 -","2","1","","Bulsink, Philip; Al-Ghamdi, Ahlam; Joshi, Prajesh; Korobkov, Ilia; Woo, Tom; Richeson, Darrin","Capturing Re(i) in an neutral N,N,N pincer Scaffold and resulting enhanced absorption of visible light.","Dalton transactions (Cambridge, England : 2003)","2016","45","21","8885","8896","10.1039/c6dt00661b","","","0.71073","MoKα","","0.0934","0.0608","","","0.1151","0.1249","","","","","","1.072","","","","has coordinates,has disorder","185434","2020-10-21","18:00:00",""
"7039139","21.7535","0.0005","17.0849","0.0005","16.4796","0.0004","90","","112.597","0.002","90","","5654.6","0.3","133","2","133","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C100 H178 B2 N20 S4 Yb2 -","- C100 H178 B2 N20 S4 Yb2 -","- C200 H356 B4 N40 S8 Yb4 -","2","0.5","","Kühling, Marcel; McDonald, Robert; Liebing, Phil; Hilfert, Liane; Ferguson, Michael J.; Takats, Josef; Edelmann, Frank T.","Stabilization of molecular lanthanide polysulfides by bulky scorpionate ligands.","Dalton transactions (Cambridge, England : 2003)","2016","45","25","10118","10121","10.1039/c6dt01439a","","","0.71073","MoKα","","0.0404","0.0352","","","0.1153","0.1398","","","","","","1.067","","","","has coordinates,has disorder","185361","2020-10-21","18:00:00",""
"7039140","21.5176","0.001","17.2726","0.0008","19.2117","0.0009","90","","93.2336","0.0006","90","","7128.9","0.6","193","2","193","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C68 H119 B2 N14 Sm -","- C68 H119 B2 N14 Sm -","- C272 H476 B8 N56 Sm4 -","4","0.5","","Kühling, Marcel; McDonald, Robert; Liebing, Phil; Hilfert, Liane; Ferguson, Michael J.; Takats, Josef; Edelmann, Frank T.","Stabilization of molecular lanthanide polysulfides by bulky scorpionate ligands.","Dalton transactions (Cambridge, England : 2003)","2016","45","25","10118","10121","10.1039/c6dt01439a","","","0.71073","MoKα","","0.0439","0.0364","","","0.0927","0.0968","","","","","","1.067","","","","has coordinates,has disorder","185361","2020-10-21","18:00:00",""
"7039141","11.8065","0.0004","12.8567","0.0004","18.9856","0.0006","91.713","0.0004","101.798","0.0004","116.91","0.0003","2490.68","0.14","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C40 H70 B N8 O S5 Sm -","- C40 H70 B N8 O S5 Sm -","- C80 H140 B2 N16 O2 S10 Sm2 -","2","1","","Kühling, Marcel; McDonald, Robert; Liebing, Phil; Hilfert, Liane; Ferguson, Michael J.; Takats, Josef; Edelmann, Frank T.","Stabilization of molecular lanthanide polysulfides by bulky scorpionate ligands.","Dalton transactions (Cambridge, England : 2003)","2016","45","25","10118","10121","10.1039/c6dt01439a","","","0.71073","MoKα","","0.029","0.026","","","0.0641","0.0661","","","","","","1.042","","","","has coordinates","185361","2020-10-21","18:00:00",""
"7039142","12.083","0.0005","23.5983","0.0009","15.664","0.0006","90","","100.122","0.0015","90","","4396.9","0.3","123","2","123","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C50 H50 B Cu N4 P2 -","- C50 H50 B Cu N4 P2 -","- C200 H200 B4 Cu4 N16 P8 -","4","1","","Cao, Hou-Ji; Zhao, Qianyi; Zhang, Qian-Fan; Li, Jiaxuan; Hamilton, Ewan J. M.; Zhang, Jie; Wang, Lai-Sheng; Chen, Xuenian","Catalyst design based on agostic interactions: synthesis, characterization, and catalytic activity of bis(pyrazolyl)borate copper complexes.","Dalton transactions (Cambridge, England : 2003)","2016","45","25","10194","10199","10.1039/c6dt01272h","","","0.71073","MoKα","","0.0681","0.04","","","0.0861","0.0992","","","","","","1.024","","","","has coordinates","185364","2020-10-21","18:00:00",""
"7039143","9.1051","0.0009","22.01","0.002","15.8051","0.0017","90","","97.666","0.004","90","","3139.1","0.5","153","2","153","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C34 H39 B Cu N4 P -","- C34 H39 B Cu N4 P -","- C136 H156 B4 Cu4 N16 P4 -","4","1","","Cao, Hou-Ji; Zhao, Qianyi; Zhang, Qian-Fan; Li, Jiaxuan; Hamilton, Ewan J. M.; Zhang, Jie; Wang, Lai-Sheng; Chen, Xuenian","Catalyst design based on agostic interactions: synthesis, characterization, and catalytic activity of bis(pyrazolyl)borate copper complexes.","Dalton transactions (Cambridge, England : 2003)","2016","45","25","10194","10199","10.1039/c6dt01272h","","","0.71073","MoKα","","0.1058","0.0555","","","0.1191","0.1445","","","","","","1.007","","","","has coordinates,has disorder","185364","2020-10-21","18:00:00",""
"7039144","20.5734","0.0014","18.8925","0.0014","10.6494","0.0007","90","","98.618","0.002","90","","4092.5","0.5","103","2","103","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C40 H64 B2 Cu2 N8 -","- C40 H64 B2 Cu2 N8 -","- C160 H256 B8 Cu8 N32 -","4","0.5","","Cao, Hou-Ji; Zhao, Qianyi; Zhang, Qian-Fan; Li, Jiaxuan; Hamilton, Ewan J. M.; Zhang, Jie; Wang, Lai-Sheng; Chen, Xuenian","Catalyst design based on agostic interactions: synthesis, characterization, and catalytic activity of bis(pyrazolyl)borate copper complexes.","Dalton transactions (Cambridge, England : 2003)","2016","45","25","10194","10199","10.1039/c6dt01272h","","","0.71073","MoKα","","0.06","0.0367","","","0.0819","0.0899","","","","","","1.032","","","","has coordinates,has disorder","185364","2020-10-21","18:00:00",""
"7039145","16.0807","0.0008","7.6539","0.0003","6.1377","0.0002","91.772","0.003","99.124","0.005","97.924","0.005","737.67","0.05","293","","293","","","","","","","","mechanochemical synthesis","5","P -1","-P 1","2","Cobalt(II)-tetraphenylphosphonate dihydrate","","CoPhP4","- C24 H30 Co O14 P4 -","- C24 H30 Co0.5 O14 P4 -","- C24 H30 Co0.5 O14 P4 -","1","0.5","","Wilke, Manuel; Buzanich, Ana Guilherme; Reinholz, Uwe; Rademann, Klaus; Emmerling, Franziska","The structure and in situ synthesis investigation of isomorphic mononuclear molecular metal phenylphosphonates.","Dalton transactions (Cambridge, England : 2003)","2016","45","23","9460","9467","10.1039/c6dt00787b","powder diffraction","x-ray","1","Synchrotron","","","","","","","","","2.63","2.29","","","","","","","has coordinates","185515","2020-10-21","18:00:00",""
"7039146","16.14748","0.00018","7.72418","0.00007","6.15472","0.00006","91.4505","0.0006","98.9409","0.001","97.773","0.0012","750.516","0.013","293","","293","","","","","","","","mechanochemical synthesis","5","P -1","-P 1","2","Manganese(II)-tetraphenylphosphonate dihydrate","","MnPhP4","- C24 H30 Mn O14 P4 -","- C24 H30 Mn0.5 O14 P4 -","- C24 H30 Mn0.5 O14 P4 -","1","0.5","","Wilke, Manuel; Buzanich, Ana Guilherme; Reinholz, Uwe; Rademann, Klaus; Emmerling, Franziska","The structure and in situ synthesis investigation of isomorphic mononuclear molecular metal phenylphosphonates.","Dalton transactions (Cambridge, England : 2003)","2016","45","23","9460","9467","10.1039/c6dt00787b","powder diffraction","x-ray","1","Synchrotron","","","","","","","","","0.38","2.83","","","","","","","has coordinates","185515","2020-10-21","18:00:00",""
"7039147","16.0587","0.0009","7.6306","0.0004","6.1169","0.0003","91.768","0.003","99.084","0.005","98.186","0.006","731.52","0.07","293","","293","","","","","","","","mechanochemical synthesis","5","P -1","-P 1","2","Nickel(II)-tetraphenylphosphonate dihydrate","","NiPhP4","- C24 H30 Ni O14 P4 -","- C24 H30 Ni0.5 O14 P4 -","- C24 H30 Ni0.5 O14 P4 -","1","0.5","","Wilke, Manuel; Buzanich, Ana Guilherme; Reinholz, Uwe; Rademann, Klaus; Emmerling, Franziska","The structure and in situ synthesis investigation of isomorphic mononuclear molecular metal phenylphosphonates.","Dalton transactions (Cambridge, England : 2003)","2016","45","23","9460","9467","10.1039/c6dt00787b","powder diffraction","x-ray","1.5406","CuKα","","","","","","","","","2.961","6.9","","","","","","","has coordinates","185515","2020-10-21","18:00:00",""
"7039148","11.5189","0.0008","12.2876","0.0008","12.3796","0.0008","60.874","0.007","71.142","0.007","72.476","0.006","1426.4","0.19","150","2","150","2","","","","","","","","7","P -1","-P 1","2","Re-L0","","","- C23 H30 Cl N2 O9 P2 Re -","- C23 H30 Cl N2 O9 P2 Re -","- C46 H60 Cl2 N4 O18 P4 Re2 -","2","1","","Braumüller, Markus; Schulz, Martin; Staniszewska, Magdalena; Sorsche, Dieter; Wunderlin, Markus; Popp, Jürgen; Guthmuller, Julien; Dietzek, Benjamin; Rau, Sven","Synthesis and characterization of ruthenium and rhenium dyes with phosphonate anchoring groups.","Dalton transactions (Cambridge, England : 2003)","2016","45","22","9216","9228","10.1039/c6dt01047d","","x-ray","0.71073","MoKα","","0.0422","0.0335","","","0.0654","0.0701","","","","","","1.038","","","","has coordinates","185315","2020-10-21","18:00:00",""
"7039149","6.265","0.0002","14.0611","0.0007","15.4117","0.0006","68.954","0.004","82.163","0.003","81.699","0.004","1248.56","0.09","150","2","150","2","","","","","","","","7","P -1","-P 1","2","Re-L0_OH","","","- C17 H22 Br N2 O11 P2 Re -","- C17 H22 Br N2 O11 P2 Re -","- C34 H44 Br2 N4 O22 P4 Re2 -","2","1","","Braumüller, Markus; Schulz, Martin; Staniszewska, Magdalena; Sorsche, Dieter; Wunderlin, Markus; Popp, Jürgen; Guthmuller, Julien; Dietzek, Benjamin; Rau, Sven","Synthesis and characterization of ruthenium and rhenium dyes with phosphonate anchoring groups.","Dalton transactions (Cambridge, England : 2003)","2016","45","22","9216","9228","10.1039/c6dt01047d","","x-ray","1.54178","CuKα","","0.0395","0.0334","","","0.0851","0.0871","","","","","","1.086","","","","has coordinates,has disorder","185315","2020-10-21","18:00:00",""
"7039150","10.6361","0.0008","37.8192","0.0014","11.9861","0.0005","90","","105.124","0.005","90","","4654.4","0.4","150","2","150","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","Re-L2","","","- C43 H48 Cl N8 O11 P2 Re -","- C43 H48 Cl N8 O11 P2 Re -","- C172 H192 Cl4 N32 O44 P8 Re4 -","4","1","","Braumüller, Markus; Schulz, Martin; Staniszewska, Magdalena; Sorsche, Dieter; Wunderlin, Markus; Popp, Jürgen; Guthmuller, Julien; Dietzek, Benjamin; Rau, Sven","Synthesis and characterization of ruthenium and rhenium dyes with phosphonate anchoring groups.","Dalton transactions (Cambridge, England : 2003)","2016","45","22","9216","9228","10.1039/c6dt01047d","","x-ray","0.71073","MoKα","","0.0754","0.0494","","","0.0998","0.1109","","","","","","1.017","","","","has coordinates","185315","2020-10-21","18:00:00",""
"7039151","7.7823","0.0002","17.7372","0.0003","26.8707","0.0004","98.388","0.001","90.293","0.002","99.121","0.002","3621.54","0.13","150","2","150","2","","","","","","","","7","P -1","-P 1","2","Re-L1","","","- C35 H34 Cl N2 O9 P2 Re -","- C35 H34 Cl N2 O9 P2 Re -","- C140 H136 Cl4 N8 O36 P8 Re4 -","4","2","","Braumüller, Markus; Schulz, Martin; Staniszewska, Magdalena; Sorsche, Dieter; Wunderlin, Markus; Popp, Jürgen; Guthmuller, Julien; Dietzek, Benjamin; Rau, Sven","Synthesis and characterization of ruthenium and rhenium dyes with phosphonate anchoring groups.","Dalton transactions (Cambridge, England : 2003)","2016","45","22","9216","9228","10.1039/c6dt01047d","","x-ray","0.71073","MoKα","","0.0488","0.0357","","","0.0746","0.0801","","","","","","1.038","","","","has coordinates","185315","2020-10-21","18:00:00",""
"7039152","10.8357","0.0005","8.1649","0.0004","10.2259","0.0005","90","","116.672","0.001","90","","808.44","0.07","301","2","301","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C6 H6 Gd O8 -","- C6 H6 Gd O8 -","- C24 H24 Gd4 O32 -","4","1","","Liu, Sui-Jun; Cao, Chen; Xie, Chen-Chao; Zheng, Teng-Fei; Tong, Xiao-Lan; Liao, Jin-Sheng; Chen, Jing-Lin; Wen, He-Rui; Chang, Ze; Bu, Xian-He","Tricarboxylate-based Gd(III) coordination polymers exhibiting large magnetocaloric effects.","Dalton transactions (Cambridge, England : 2003)","2016","45","22","9209","9215","10.1039/c6dt01349j","","","0.71073","MoKα","","0.0136","0.0134","","","0.0374","0.0376","","","","","","1.24","","","","has coordinates","185316","2020-10-21","18:00:00",""
"7039153","11.023","0.0009","15.3941","0.0013","21.2051","0.0018","90","","90","","90","","3598.3","0.5","100","2","100","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C38 H54 P2 Th -","- C38 H54 P2 Th -","- C152 H216 P8 Th4 -","4","0.5","","Behrle, Andrew C.; Walensky, Justin R.","Insertion of (t)BuNC into thorium-phosphorus and thorium-arsenic bonds: phosphaazaallene and arsaazaallene moieties in f element chemistry.","Dalton transactions (Cambridge, England : 2003)","2016","45","24","10042","10049","10.1039/c6dt00776g","","","0.71073","MoKα","","0.0359","0.0211","","","0.0431","0.0466","","","","","","1.082","","","","has coordinates,has disorder","185388","2020-10-21","18:00:00",""
"7039154","23.195","0.002","12.1067","0.001","17.8732","0.0015","90","","106.635","0.001","90","","4809","0.7","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C50 H78 As2 Th -","- C50 H78 As2 Th -","- C200 H312 As8 Th4 -","4","0.5","","Behrle, Andrew C.; Walensky, Justin R.","Insertion of (t)BuNC into thorium-phosphorus and thorium-arsenic bonds: phosphaazaallene and arsaazaallene moieties in f element chemistry.","Dalton transactions (Cambridge, England : 2003)","2016","45","24","10042","10049","10.1039/c6dt00776g","","","0.71073","MoKα","","0.0226","0.0195","","","0.0437","0.0446","","","","","","1.039","","","","has coordinates,has disorder","189363","2020-10-21","18:00:00",""
"7039155","28.9553","0.0018","14.5673","0.0009","13.4169","0.0009","90","","90","","90","","5659.3","0.6","100","2","100","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C45 H71 N2 P Th -","- C45 H71 N2 P Th -","- C180 H284 N8 P4 Th4 -","4","0.5","","Behrle, Andrew C.; Walensky, Justin R.","Insertion of (t)BuNC into thorium-phosphorus and thorium-arsenic bonds: phosphaazaallene and arsaazaallene moieties in f element chemistry.","Dalton transactions (Cambridge, England : 2003)","2016","45","24","10042","10049","10.1039/c6dt00776g","","","0.71073","MoKα","","0.0363","0.0317","","","0.0823","0.0838","","","","","","1.209","","","","has coordinates,has disorder","185388","2020-10-21","18:00:00",""
"7039156","29.0966","0.0019","14.5564","0.0009","13.4878","0.0009","90","","90","","90","","5712.6","0.6","100","2","100","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C45 H71 As N2 Th -","- C45 H71 As N2 Th -","- C180 H284 As4 N8 Th4 -","4","0.5","","Behrle, Andrew C.; Walensky, Justin R.","Insertion of (t)BuNC into thorium-phosphorus and thorium-arsenic bonds: phosphaazaallene and arsaazaallene moieties in f element chemistry.","Dalton transactions (Cambridge, England : 2003)","2016","45","24","10042","10049","10.1039/c6dt00776g","","","0.71073","MoKα","","0.0412","0.033","","","0.0741","0.0763","","","","","","1.183","","","","has coordinates,has disorder","185388","2020-10-21","18:00:00",""
"7039157","8.3739","0.0012","9.1197","0.0013","11.6208","0.0016","75.718","0.002","71.528","0.001","81.712","0.002","813.6","0.2","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C15 H23 As Br0.55 Cl1.45 -","- C15 H23 As Br0.5484 Cl1.4516 -","- C30 H46 As2 Br1.0968 Cl2.9032 -","2","1","","Behrle, Andrew C.; Walensky, Justin R.","Insertion of (t)BuNC into thorium-phosphorus and thorium-arsenic bonds: phosphaazaallene and arsaazaallene moieties in f element chemistry.","Dalton transactions (Cambridge, England : 2003)","2016","45","24","10042","10049","10.1039/c6dt00776g","","","0.71073","MoKα","","0.0266","0.023","","","0.0577","0.0591","","","","","","1.063","","","","has coordinates,has disorder","185388","2020-10-21","18:00:00",""
"7039158","12.272","0.005","12.514","0.005","19.66","0.005","76.876","0.005","73.269","0.005","67.578","0.005","2649.3","1.7","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C54 H44 Dy F9 N6 O6 -","- C54 H44 Dy F9 N6 O6 -","- C108 H88 Dy2 F18 N12 O12 -","2","1","","Dong, Yanping; Yan, Pengfei; Zou, Xiaoyan; Yao, Xu; Hou, Guangfeng; Li, Guangming","Auxiliary ligand field dominated single-molecule magnets of a series of indole-derivative β-diketone mononuclear Dy(iii) complexes.","Dalton transactions (Cambridge, England : 2003)","2016","45","22","9148","9157","10.1039/c6dt00442c","","","0.71069","MoKα","","0.0957","0.0736","","","0.1808","0.1986","","","","","","1.082","","","","has coordinates","185298","2020-10-21","18:00:00",""
"7039159","16.1532","0.0005","18.2859","0.0006","18.4831","0.0005","91.091","0.002","97.641","0.003","101.105","0.003","5304.1","0.3","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C55 H43 Cl2 Dy F9 N5 O6 -","- C54 H41 Dy F9 N5 O6 -","- C216 H164 Dy4 F36 N20 O24 -","4","2","","Dong, Yanping; Yan, Pengfei; Zou, Xiaoyan; Yao, Xu; Hou, Guangfeng; Li, Guangming","Auxiliary ligand field dominated single-molecule magnets of a series of indole-derivative β-diketone mononuclear Dy(iii) complexes.","Dalton transactions (Cambridge, England : 2003)","2016","45","22","9148","9157","10.1039/c6dt00442c","","","0.71073","MoKα","","0.0605","0.0393","","","0.1002","0.1098","","","","","","1.094","","","","has coordinates","185298","2020-10-21","18:00:00",""
"7039160","12.485","0.005","33.593","0.005","14.414","0.005","90","","108.114","0.005","90","","5746","3","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C57 H43 Cl2 Dy F9 N7 O6 -","- C56 H41 Dy F9 N7 O6 -","- C224 H164 Dy4 F36 N28 O24 -","4","1","","Dong, Yanping; Yan, Pengfei; Zou, Xiaoyan; Yao, Xu; Hou, Guangfeng; Li, Guangming","Auxiliary ligand field dominated single-molecule magnets of a series of indole-derivative β-diketone mononuclear Dy(iii) complexes.","Dalton transactions (Cambridge, England : 2003)","2016","45","22","9148","9157","10.1039/c6dt00442c","","","0.71069","MoKα","","0.0611","0.0481","","","0.1143","0.1198","","","","","","1.127","","","","has coordinates,has disorder","185298","2020-10-21","18:00:00",""
"7039161","12.484","0.005","12.496","0.005","19.311","0.005","86.022","0.005","89.896","0.005","71.563","0.005","2850.4","1.8","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C60 H47 Dy F9 N7 O8 -","- C60 H43 Dy F9 N7 O6 -","- C120 H86 Dy2 F18 N14 O12 -","2","1","","Dong, Yanping; Yan, Pengfei; Zou, Xiaoyan; Yao, Xu; Hou, Guangfeng; Li, Guangming","Auxiliary ligand field dominated single-molecule magnets of a series of indole-derivative β-diketone mononuclear Dy(iii) complexes.","Dalton transactions (Cambridge, England : 2003)","2016","45","22","9148","9157","10.1039/c6dt00442c","","","0.71069","MoKα","","0.0834","0.0453","","","0.0848","0.0943","","","","","","0.941","","","","has coordinates,has disorder","185298","2020-10-21","18:00:00",""
"7039162","8.8252","0.0014","10.8259","0.0017","11.028","0.003","106.446","0.003","108.868","0.003","109.701","0.002","842.8","0.3","296","2","296","2","","","","","","","","5","P -1","-P 1","2","Co(Tp*)2","Cobalt Bis-hydridotris(3,5-dimethylpyrazole)borate","","- C30 H44 B2 Co N12 -","- C30 H44 B2 Co N12 -","- C30 H44 B2 Co N12 -","1","0.5","","Li, Jing; Han, Yuan; Cao, Fan; Wei, Rong-Min; Zhang, Yi-Quan; Song, You","Two field-induced slow magnetic relaxation processes in a mononuclear Co(ii) complex with a distorted octahedral geometry.","Dalton transactions (Cambridge, England : 2003)","2016","45","22","9279","9284","10.1039/c6dt00979d","","","0.71073","MoKα","","0.0489","0.0413","","","0.1167","0.1258","","","","","","1.066","","","","has coordinates","185303","2020-10-21","18:00:00",""
"7039163","10.4071","0.0002","17.2603","0.0004","17.7437","0.0004","90","","105.312","0.0015","90","","3074.15","0.12","200","","200","","","","","","","","from U of Wollongong","5","C 1 2/c 1","-C 2yc","15","","1,5,5,9,13,13,20,20-octamethyl-3,7,11,15,18, 22-hexaazabicyclo[7.7.7]tricosanezinc(II) nitrate monohydrate","","- C25 H56 N8 O7 Zn -","- C25 H56 N8 O7 Zn -","- C100 H224 N32 O28 Zn4 -","4","0.5","","Alcock, Leighton J.; Cavigliasso, Germán; Willis, Anthony C.; Stranger, Robert; Ralph, Stephen F.","Trigonal prismatic metal complexes: a not so rare coordination geometry?","Dalton transactions (Cambridge, England : 2003)","2016","45","22","9036","9040","10.1039/c6dt01176d","","","0.71073","MoKα","","0.0362","0.0319","","0.0806","0.0786","0.0806","","","","","","1.004","","","","has coordinates","185308","2020-10-21","18:00:00",""
"7039164","18.6325","0.0004","16.3963","0.0003","10.5649","0.0002","90","","90","","90","","3227.62","0.11","200","","200","","","","","","","","from U of Wollongong","5","P n m a","-P 2ac 2n","62","","1,5,5,9,13,13,20,20-octamethyl-3,7,11,15,18, 22-hexaazabicyclo[7.7.7]tricosanecadmium(II) nitrate dihydrate","","- C25 H58 Cd N8 O8 -","- C25 H58 Cd N8 O8 -","- C100 H232 Cd4 N32 O32 -","4","0.5","","Alcock, Leighton J.; Cavigliasso, Germán; Willis, Anthony C.; Stranger, Robert; Ralph, Stephen F.","Trigonal prismatic metal complexes: a not so rare coordination geometry?","Dalton transactions (Cambridge, England : 2003)","2016","45","22","9036","9040","10.1039/c6dt01176d","","","0.71073","MoKα","","0.043","0.0332","","0.0826","0.0792","0.0826","","","","","","1.0251","","","","has coordinates","185308","2020-10-21","18:00:00",""
"7039165","18.6126","0.0003","16.4042","0.0002","10.5731","0.0002","90","","90","","90","","3228.23","0.09","200","","200","","","","","","","","from U of Wollongong","5","P n m a","-P 2ac 2n","62","","1,5,5,9,13,13,20,20-octamethyl-3,7,11,15,18,22-hexaazabicyclo[7.7.7]tricosanemercury(II) nitrate dihydrate","","- C25 H58 Hg N8 O8 -","- C25 H54 Hg N8 O8 -","- C100 H216 Hg4 N32 O32 -","4","0.5","","Alcock, Leighton J.; Cavigliasso, Germán; Willis, Anthony C.; Stranger, Robert; Ralph, Stephen F.","Trigonal prismatic metal complexes: a not so rare coordination geometry?","Dalton transactions (Cambridge, England : 2003)","2016","45","22","9036","9040","10.1039/c6dt01176d","","","0.71073","MoKα","","0.0387","0.0263","","0.0575","0.0543","0.0575","","","","","","0.9915","","","","has coordinates","185308","2020-10-21","18:00:00",""
"7039166","7.812","0.003","11.688","0.004","17.77","0.006","90.927","0.005","93.857","0.005","107.518","0.005","1542.6","1","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","","","- C60 H58 Ni5 O38 -","- C60 H58 Ni5 O38 -","- C60 H58 Ni5 O38 -","1","0.5","","Liu, Ya-Hui; Lu, Li-Ping; Zhu, Miao-Li; Feng, Si-Si; Su, Feng","A new family of 1D, 2D and 3D frameworks aggregated from Ni5, Ni4 and Ni7 building units: synthesis, structure, and magnetism.","Dalton transactions (Cambridge, England : 2003)","2016","45","22","9267","9278","10.1039/c5dt04953a","","","0.71073","MoKα","","0.1143","0.0978","","","0.2494","0.257","","","","","","1.124","","","","has coordinates","185310","2020-10-21","18:00:00",""
"7039167","7.876","0.001","10.4299","0.0013","12.2338","0.0016","98.828","0.002","91.679","0.002","107.982","0.002","941.4","0.2","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C15 H18 Ni2 O12 -","- C15 H18 Ni2 O12 -","- C30 H36 Ni4 O24 -","2","1","","Liu, Ya-Hui; Lu, Li-Ping; Zhu, Miao-Li; Feng, Si-Si; Su, Feng","A new family of 1D, 2D and 3D frameworks aggregated from Ni5, Ni4 and Ni7 building units: synthesis, structure, and magnetism.","Dalton transactions (Cambridge, England : 2003)","2016","45","22","9267","9278","10.1039/c5dt04953a","","","0.71073","MoKα","","0.0444","0.032","","","0.0753","0.0816","","","","","","1.029","","","","has coordinates,has disorder","185310","2020-10-21","18:00:00",""
"7039168","31.086","0.006","12.676","0.003","16.113","0.003","90","","102.06","0.03","90","","6209","2","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C56 H48 N8 Ni7 O25 -","- C56 H48 N8 Ni7 O25 -","- C224 H192 N32 Ni28 O100 -","4","0.5","","Liu, Ya-Hui; Lu, Li-Ping; Zhu, Miao-Li; Feng, Si-Si; Su, Feng","A new family of 1D, 2D and 3D frameworks aggregated from Ni5, Ni4 and Ni7 building units: synthesis, structure, and magnetism.","Dalton transactions (Cambridge, England : 2003)","2016","45","22","9267","9278","10.1039/c5dt04953a","","","0.72","synchrotron","","0.1106","0.1009","","","0.2946","0.3006","","","","","","2.273","","","","has coordinates,has disorder","185310","2020-10-21","18:00:00",""
"7039169","16.8021","0.0008","19.3423","0.0005","28.0775","0.0009","90","","105.489","0.005","90","","8793.5","0.6","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C120 H232 Gd6 N6 Ni8 O60 -","- C120 H232 Gd6 N6 Ni8 O60 -","- C240 H464 Gd12 N12 Ni16 O120 -","2","0.5","","Guarda, Eliana; Bader, Katharina; van Slageren, Joris; Alborés, Pablo","{NiLn} (Ln = Gd, Dy) rod-like nano-sized heteronuclear coordination clusters with a double carbonate bridge skeleton and remarkable MCE behaviour.","Dalton transactions (Cambridge, England : 2003)","2016","45","20","8566","8572","10.1039/c6dt00859c","","","0.71073","MoKα","","0.1158","0.0705","","","0.1469","0.167","","","","","","1.054","","","","has coordinates,has disorder","185422","2020-10-21","18:00:00",""
"7039170","16.7221","0.0008","19.3206","0.0007","27.9064","0.0009","90","","105.797","0.004","90","","8675.5","0.6","170","2","170","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C128 H254 Dy6 N8 Ni8 O64 -","- C128 H254 Dy6 N8 Ni8 O64 -","- C256 H508 Dy12 N16 Ni16 O128 -","2","0.5","","Guarda, Eliana; Bader, Katharina; van Slageren, Joris; Alborés, Pablo","{NiLn} (Ln = Gd, Dy) rod-like nano-sized heteronuclear coordination clusters with a double carbonate bridge skeleton and remarkable MCE behaviour.","Dalton transactions (Cambridge, England : 2003)","2016","45","20","8566","8572","10.1039/c6dt00859c","","","0.71069","MoKα","","0.1597","0.0861","","","0.1964","0.2504","","","","","","1.024","","","","has coordinates,has disorder","185422","2020-10-21","18:00:00",""
"7039171","16.726","0.0018","19.304","0.0018","27.98","0.002","90","","105.885","0.009","90","","8689.2","1.4","170","2","170","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C128 H254 N8 Ni8 O64 Y6 -","- C128 H254 N8 Ni8 O64 Y6 -","- C256 H508 N16 Ni16 O128 Y12 -","2","0.5","","Guarda, Eliana; Bader, Katharina; van Slageren, Joris; Alborés, Pablo","{NiLn} (Ln = Gd, Dy) rod-like nano-sized heteronuclear coordination clusters with a double carbonate bridge skeleton and remarkable MCE behaviour.","Dalton transactions (Cambridge, England : 2003)","2016","45","20","8566","8572","10.1039/c6dt00859c","","","0.71073","MoKα","","0.2959","0.122","","","0.2405","0.3492","","","","","","0.998","","","","has coordinates,has disorder","185422","2020-10-21","18:00:00",""
"7039172","11.976","0.004","14.503","0.005","14.914","0.005","68.852","0.004","79.949","0.005","75.8","0.005","2331.5","1.4","296","2","296","2","","","","","","","","8","P -1","-P 1","2","","","","- C46 H42 Br F4 Ir N4 O4 S2 -","- C46 H42 Br F4 Ir N4 O4 S2 -","- C92 H84 Br2 F8 Ir2 N8 O8 S4 -","2","1","","Gong, Dan-Ping; Cao, Deng-Ke","Heteroleptic Ir(iii) and Pt(ii) complexes based on 2-(2,4-difluorophenyl)-pyridine and bisthienylethene BrLH: the influence of the metal center on structures, luminescence and photochromism.","Dalton transactions (Cambridge, England : 2003)","2016","45","22","9328","9335","10.1039/c6dt01175f","","","0.71073","MoKα","","0.0402","0.0322","","","0.071","0.0731","","","","","","1.027","","","","has coordinates","185300","2020-10-21","18:00:00",""
"7039173","18.7488","0.0014","15.1208","0.0011","12.4253","0.0009","90","","106.711","0.001","90","","3373.8","0.4","296","2","296","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C33 H28 Br F2 N3 O2 Pt S2 -","- C33 H28 Br F2 N3 O2 Pt S2 -","- C132 H112 Br4 F8 N12 O8 Pt4 S8 -","4","1","","Gong, Dan-Ping; Cao, Deng-Ke","Heteroleptic Ir(iii) and Pt(ii) complexes based on 2-(2,4-difluorophenyl)-pyridine and bisthienylethene BrLH: the influence of the metal center on structures, luminescence and photochromism.","Dalton transactions (Cambridge, England : 2003)","2016","45","22","9328","9335","10.1039/c6dt01175f","","","0.71073","MoKα","","0.0769","0.0501","","","0.1226","0.1359","","","","","","1.036","","","","has coordinates","185300","2020-10-21","18:00:00",""
"7039174","7.3458","0.0005","12.0008","0.0008","13.332","0.0009","90","","97.539","0.001","90","","1165.13","0.14","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C8 H16 O6 W -","- C8 H16 O6 W -","- C32 H64 O24 W4 -","4","1","","Bonsu, Richard O.; Bock, Duane C.; Kim, Hankook; Korotkov, Roman Y.; Abboud, Khalil A.; Anderson, Timothy J.; McElwee-White, Lisa","Synthesis and evaluation of κ(2)-β-diketonate and β-ketoesterate tungsten(vi) oxo-alkoxide complexes as precursors for chemical vapor deposition of WOx thin films.","Dalton transactions (Cambridge, England : 2003)","2016","45","27","10897","10908","10.1039/c6dt01078d","","","0.71073","MoKα","","0.018","0.0115","","","0.0239","0.0267","","","","","","1.088","","","","has coordinates","185398","2020-10-21","18:00:00",""
"7039175","9.7653","0.0005","17.3223","0.0009","17.2212","0.0009","90","","101.504","0.001","90","","2854.6","0.3","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C23 H46 O7 W -","- C22.988 H45.976 O7 W -","- C91.952 H183.904 O28 W4 -","4","1","","Bonsu, Richard O.; Bock, Duane C.; Kim, Hankook; Korotkov, Roman Y.; Abboud, Khalil A.; Anderson, Timothy J.; McElwee-White, Lisa","Synthesis and evaluation of κ(2)-β-diketonate and β-ketoesterate tungsten(vi) oxo-alkoxide complexes as precursors for chemical vapor deposition of WOx thin films.","Dalton transactions (Cambridge, England : 2003)","2016","45","27","10897","10908","10.1039/c6dt01078d","","","0.71073","MoKα","","0.0447","0.025","","","0.0498","0.0547","","","","","","1.005","","","","has coordinates,has disorder","185398","2020-10-21","18:00:00",""
"7039176","19.3583","0.0014","19.5078","0.0014","16.797","0.0012","90","","103.583","0.0014","90","","6165.8","0.8","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C26 H52 O6 W -","- C26 H52 O6 W -","- C208 H416 O48 W8 -","8","2","","Bonsu, Richard O.; Bock, Duane C.; Kim, Hankook; Korotkov, Roman Y.; Abboud, Khalil A.; Anderson, Timothy J.; McElwee-White, Lisa","Synthesis and evaluation of κ(2)-β-diketonate and β-ketoesterate tungsten(vi) oxo-alkoxide complexes as precursors for chemical vapor deposition of WOx thin films.","Dalton transactions (Cambridge, England : 2003)","2016","45","27","10897","10908","10.1039/c6dt01078d","","","0.71073","MoKα","","0.0679","0.0427","","","0.091","0.1158","","","","","","1.075","","","","has coordinates,has disorder","185398","2020-10-21","18:00:00",""
"7039177","18.4587","0.0008","15.2076","0.0007","19.577","0.0008","90","","104.214","0.0007","90","","5327.3","0.4","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C46.5 H82 O12 W2 -","- C46.5 H82 O12 W2 -","- C186 H328 O48 W8 -","4","1","","Bonsu, Richard O.; Bock, Duane C.; Kim, Hankook; Korotkov, Roman Y.; Abboud, Khalil A.; Anderson, Timothy J.; McElwee-White, Lisa","Synthesis and evaluation of κ(2)-β-diketonate and β-ketoesterate tungsten(vi) oxo-alkoxide complexes as precursors for chemical vapor deposition of WOx thin films.","Dalton transactions (Cambridge, England : 2003)","2016","45","27","10897","10908","10.1039/c6dt01078d","","","0.71073","MoKα","","0.0551","0.0327","","","0.0705","0.0763","","","","","","0.946","","","","has coordinates,has disorder","185398","2020-10-21","18:00:00",""
"7039178","17.363","0.002","24.704","0.003","9.8942","0.001","90","","90","","90","","4244","0.8","296","2","296","2","","","","","","","","5","C 2 2 21","C 2c 2","20","","2,6 diisopropylanilinium tetraiodobismuthate","","- C12 H20 Bi I4 N -","- C12 H20 Bi I4 N -","- C96 H160 Bi8 I32 N8 -","8","1","","Pandey, Souvik; Andrews, Alex P.; Venugopal, Ajay","Manifestation of helicity in one-dimensional iodobismuthate.","Dalton transactions (Cambridge, England : 2003)","2016","45","21","8705","8707","10.1039/c6dt01032f","","","0.71073","MoKα","","0.0435","0.028","","","0.0557","0.0606","","","","","","0.873","","","","has coordinates","185450","2020-10-21","18:00:00",""
"7039179","18.372","0.003","18.431","0.002","19.53","0.003","90","","101.319","0.009","90","","6484.5","1.6","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","iodobismuthate","","- C48 H80 Bi I7 N4 -","- C48 H80 Bi I7 N4 -","- C192 H320 Bi4 I28 N16 -","4","0.5","","Pandey, Souvik; Andrews, Alex P.; Venugopal, Ajay","Manifestation of helicity in one-dimensional iodobismuthate.","Dalton transactions (Cambridge, England : 2003)","2016","45","21","8705","8707","10.1039/c6dt01032f","","","0.71073","MoKα","","0.0922","0.0418","","","0.0864","0.1062","","","","","","1.03","","","","has coordinates","185450","2020-10-21","18:00:00",""
"7039180","17.29","0.0008","24.7674","0.0011","9.8852","0.0004","90","","90","","90","","4233.1","0.3","85","2","85","2","","","","","","","","5","C 2 2 21","C 2c 2","20","","2,6 diisopropylanilinium tetraiodobismuthate","","- C12 H20 Bi I4 N -","- C12 H20 Bi I4 N -","- C96 H160 Bi8 I32 N8 -","8","1","","Pandey, Souvik; Andrews, Alex P.; Venugopal, Ajay","Manifestation of helicity in one-dimensional iodobismuthate.","Dalton transactions (Cambridge, England : 2003)","2016","45","21","8705","8707","10.1039/c6dt01032f","","","0.71073","MoKα","","0.0508","0.0319","","","0.049","0.0534","","","","","","0.962","","","","has coordinates","185450","2020-10-21","18:00:00",""
"7039181","17.3001","0.0006","24.7219","0.0008","9.8813","0.0003","90","","90","","90","","4226.1","0.2","296","2","296","2","","","","","","","","5","C 2 2 21","C 2c 2","20","","2,6 diisopropylanilinium tetraiodobismuthate","","- C12 H20 Bi I4 N -","- C12 H20 Bi I4 N -","- C96 H160 Bi8 I32 N8 -","8","1","","Pandey, Souvik; Andrews, Alex P.; Venugopal, Ajay","Manifestation of helicity in one-dimensional iodobismuthate.","Dalton transactions (Cambridge, England : 2003)","2016","45","21","8705","8707","10.1039/c6dt01032f","","","0.71073","MoKα","","0.0522","0.0305","","","0.0523","0.0585","","","","","","1.004","","","","has coordinates","185450","2020-10-21","18:00:00",""
"7039182","9.777","0.002","13.823","0.003","14.107","0.003","115.21","0.03","101.54","0.03","96","0.03","1650.9","0.8","223","2","223","2","","","","","","","","6","P -1","-P 1","2","","","","- C62 H56 Ag4 N8 O12 P4 -","- C62 H56 Ag4 N8 O12 P4 -","- C62 H56 Ag4 N8 O12 P4 -","1","0.5","","Wang, Jian-Feng; Liu, Shi-Yuan; Liu, Chun-Yu; Ren, Zhi-Gang; Lang, Jian-Ping","Silver(i) complexes with a P-N hybrid ligand and oxyanions: synthesis, structures, photocatalysis and photocurrent responses.","Dalton transactions (Cambridge, England : 2003)","2016","45","22","9294","9306","10.1039/c6dt01211f","","","0.71073","MoKα","","0.0564","0.0363","","","0.0928","0.1008","","","","","","0.991","","","","has coordinates","185301","2020-10-21","18:00:00",""
"7039183","13.2011","0.0003","14.8654","0.0005","16.4747","0.0005","90","","95.59","0.003","90","","3217.61","0.16","298","2","298","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C62 H56 Ag4 N8 O12 P4 -","- C62 H56 Ag4 N8 O12 P4 -","- C124 H112 Ag8 N16 O24 P8 -","2","0.5","","Wang, Jian-Feng; Liu, Shi-Yuan; Liu, Chun-Yu; Ren, Zhi-Gang; Lang, Jian-Ping","Silver(i) complexes with a P-N hybrid ligand and oxyanions: synthesis, structures, photocatalysis and photocurrent responses.","Dalton transactions (Cambridge, England : 2003)","2016","45","22","9294","9306","10.1039/c6dt01211f","","","0.71073","MoKα","","0.0716","0.0413","","","0.0918","0.1059","","","","","","1.03","","","","has coordinates","185301","2020-10-21","18:00:00",""
"7039184","13.1943","0.0006","18.7064","0.0009","18.1978","0.0007","90","","130.379","0.002","90","","3421.5","0.3","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C70 H68 Ag4 N4 O8 P4 -","- C70 H68 Ag4 N4 O8 P4 -","- C140 H136 Ag8 N8 O16 P8 -","2","0.5","","Wang, Jian-Feng; Liu, Shi-Yuan; Liu, Chun-Yu; Ren, Zhi-Gang; Lang, Jian-Ping","Silver(i) complexes with a P-N hybrid ligand and oxyanions: synthesis, structures, photocatalysis and photocurrent responses.","Dalton transactions (Cambridge, England : 2003)","2016","45","22","9294","9306","10.1039/c6dt01211f","","","0.71073","MoKα","","0.0697","0.0597","","","0.1613","0.1662","","","","","","1.16","","","","has coordinates,has disorder","185301","2020-10-21","18:00:00",""
"7039185","11.0884","0.0004","13.1145","0.0005","14.818","0.0005","90.78","0.003","92.476","0.003","108.267","0.003","2043.48","0.13","223","2","223","2","","","","","","","","6","P -1","-P 1","2","","","","- C90 H80 Ag4 N4 O10 P4 -","- C90 H80 Ag4 N4 O10 P4 -","- C90 H80 Ag4 N4 O10 P4 -","1","0.5","","Wang, Jian-Feng; Liu, Shi-Yuan; Liu, Chun-Yu; Ren, Zhi-Gang; Lang, Jian-Ping","Silver(i) complexes with a P-N hybrid ligand and oxyanions: synthesis, structures, photocatalysis and photocurrent responses.","Dalton transactions (Cambridge, England : 2003)","2016","45","22","9294","9306","10.1039/c6dt01211f","","","0.71073","MoKα","","0.0734","0.0423","","","0.07","0.0833","","","","","","1.03","","","","has coordinates","185301","2020-10-21","18:00:00",""
"7039186","10.087","0.0002","14.288","0.0004","29.0022","0.0009","90","","92.912","0.002","90","","4174.49","0.19","223","2","223","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C90 H76 Ag4 N4 O8 P4 -","- C90 H76 Ag4 N4 O8 P4 -","- C180 H152 Ag8 N8 O16 P8 -","2","0.5","","Wang, Jian-Feng; Liu, Shi-Yuan; Liu, Chun-Yu; Ren, Zhi-Gang; Lang, Jian-Ping","Silver(i) complexes with a P-N hybrid ligand and oxyanions: synthesis, structures, photocatalysis and photocurrent responses.","Dalton transactions (Cambridge, England : 2003)","2016","45","22","9294","9306","10.1039/c6dt01211f","","","0.71073","MoKα","","0.1001","0.0659","","","0.1681","0.1911","","","","","","1.057","","","","has coordinates,has disorder","185301","2020-10-21","18:00:00",""
"7039187","13.9801","0.0005","17.5774","0.0005","14.7617","0.0005","90","","109.961","0.004","90","","3409.5","0.2","223","2","223","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C38 H33 Ag N2 O3 P2 -","- C38 H33 Ag N2 O3 P2 -","- C152 H132 Ag4 N8 O12 P8 -","4","1","","Wang, Jian-Feng; Liu, Shi-Yuan; Liu, Chun-Yu; Ren, Zhi-Gang; Lang, Jian-Ping","Silver(i) complexes with a P-N hybrid ligand and oxyanions: synthesis, structures, photocatalysis and photocurrent responses.","Dalton transactions (Cambridge, England : 2003)","2016","45","22","9294","9306","10.1039/c6dt01211f","","","0.71073","MoKα","","0.0623","0.039","","","0.0709","0.0814","","","","","","1.032","","","","has coordinates","185301","2020-10-21","18:00:00",""
"7039188","10.1121","0.0003","14.2728","0.0005","28.6382","0.0011","90","","92.366","0.003","90","","4129.8","0.2","223","2","223","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C90 H76 Ag4 N4 O12 P4 -","- C90 H76 Ag4 N4 O12 P4 -","- C180 H152 Ag8 N8 O24 P8 -","2","0.5","","Wang, Jian-Feng; Liu, Shi-Yuan; Liu, Chun-Yu; Ren, Zhi-Gang; Lang, Jian-Ping","Silver(i) complexes with a P-N hybrid ligand and oxyanions: synthesis, structures, photocatalysis and photocurrent responses.","Dalton transactions (Cambridge, England : 2003)","2016","45","22","9294","9306","10.1039/c6dt01211f","","","0.71073","MoKα","","0.0947","0.0529","","","0.1214","0.1448","","","","","","1.032","","","","has coordinates","185301","2020-10-21","18:00:00",""
"7039189","29.1802","0.001","29.1802","0.001","16.145","0.0006","90","","90","","90","","13747.2","0.8","173","2","173","2","","","","","","","","6","I 41/a","-I 4ad","88","","","","- C140 H108 Cl12 N8 O28 Ti10 -","- C140 H108 Cl12 N8 O28 Ti10 -","- C560 H432 Cl48 N32 O112 Ti40 -","4","","","Chaumont, Clément; Chaumont, Alain; Kyritsakas, Nathalie; Mobian, Pierre; Henry, Marc","Titanium oxo-clusters derivatized from the Ti10O12(cat)8(py)8 complex: structural investigation and spectroscopic studies of light absorption.","Dalton transactions (Cambridge, England : 2003)","2016","45","21","8760","8769","10.1039/c6dt00632a","","","0.71073","MoKα","","0.1803","0.1028","","","0.1902","0.2206","","","","","","1.005","","","","has coordinates","185444","2020-10-21","18:00:00",""
"7039190","31.272","0.003","31.272","0.003","15.6882","0.0014","90","","90","","90","","15342","2","173","2","173","2","","","","","","","","6","I 41/a","-I 4ad","88","","","","- C156 H124 Cl12 N8 O44 Ti10 -","- C156 H124 Cl12 N8 O44 Ti10 -","- C624 H496 Cl48 N32 O176 Ti40 -","4","","","Chaumont, Clément; Chaumont, Alain; Kyritsakas, Nathalie; Mobian, Pierre; Henry, Marc","Titanium oxo-clusters derivatized from the Ti10O12(cat)8(py)8 complex: structural investigation and spectroscopic studies of light absorption.","Dalton transactions (Cambridge, England : 2003)","2016","45","21","8760","8769","10.1039/c6dt00632a","","","0.71073","MoKα","","0.2592","0.1172","","","0.2389","0.3086","","","","","","1.054","","","","has coordinates","185444","2020-10-21","18:00:00",""
"7039191","15.6659","0.0009","18.9579","0.0011","23.2236","0.0013","100.258","0.002","103.693","0.002","106.655","0.002","6191.9","0.6","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C100 H92 Cl12 N8 O28 Ti10 -","- C100 H92 Cl12 N8 O28 Ti10 -","- C200 H184 Cl24 N16 O56 Ti20 -","2","1","","Chaumont, Clément; Chaumont, Alain; Kyritsakas, Nathalie; Mobian, Pierre; Henry, Marc","Titanium oxo-clusters derivatized from the Ti10O12(cat)8(py)8 complex: structural investigation and spectroscopic studies of light absorption.","Dalton transactions (Cambridge, England : 2003)","2016","45","21","8760","8769","10.1039/c6dt00632a","","","0.71073","MoKα","","0.154","0.0719","","","0.1603","0.1802","","","","","","1.005","","","","has coordinates","185444","2020-10-21","18:00:00",""
"7039192","7.9076","0.0014","14.308","0.003","16.3","0.003","68.911","0.006","76.832","0.009","85.214","0.009","1675.4","0.6","112","","112","","","","","","","","","5","P -1","-P 1","2","","","","- C37 H50 Dy N3 O4 -","- C37 H50 Dy N3 O4 -","- C74 H100 Dy2 N6 O8 -","2","1","","Nakai, Hidetaka; Seo, Juncheol; Kitagawa, Kazuhiro; Goto, Takahiro; Matsumoto, Takahiro; Ogo, Seiji","An oxygen-sensitive luminescent Dy(iii) complex.","Dalton transactions (Cambridge, England : 2003)","2016","45","23","9492","9496","10.1039/c6dt01057a","","","0.71075","MoKα","","0.0449","0.0421","","","0.1256","0.1283","","","","","","1.166","","","","has coordinates","185524","2020-10-21","18:00:00",""
"7039193","9.321","0.0015","15.229","0.003","17.358","0.003","93.711","0.006","92.771","0.005","91.845","0.005","2454.4","0.8","100","","100","","","","","","","","","5","P -1","-P 1","2","","Chlorido[2-Butyl-(3-oxo-?O)-[1,4]-naphthoquinonato- ?O4] ](h6-p-cymene)ruthenium(II)","","- C24 H27 Cl O3 Ru -","- C24 H27 Cl O3 Ru -","- C96 H108 Cl4 O12 Ru4 -","4","2","","Kubanik, Mario; Kandioller, Wolfgang; Kim, Kunwoo; Anderson, Robert F.; Klapproth, Erik; Jakupec, Michael A.; Roller, Alexander; Söhnel, Tilo; Keppler, Bernhard K.; Hartinger, Christian G.","Towards targeting anticancer drugs: ruthenium(ii)-arene complexes with biologically active naphthoquinone-derived ligand systems.","Dalton transactions (Cambridge, England : 2003)","2016","45","33","13091","13103","10.1039/c6dt01110a","","","0.71073","MoKα","","0.0549","0.0398","","","0.0841","0.0892","","","","","","1.052","","","","has coordinates,has disorder","186420","2020-10-21","18:00:00",""
"7039194","15.5644","0.0008","7.9491","0.0004","15.7175","0.0008","90","","100.11","0.002","90","","1914.42","0.17","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C22 H23 Cl O3 Ru -","- C22 H23 Cl O3 Ru -","- C88 H92 Cl4 O12 Ru4 -","4","1","","Kubanik, Mario; Kandioller, Wolfgang; Kim, Kunwoo; Anderson, Robert F.; Klapproth, Erik; Jakupec, Michael A.; Roller, Alexander; Söhnel, Tilo; Keppler, Bernhard K.; Hartinger, Christian G.","Towards targeting anticancer drugs: ruthenium(ii)-arene complexes with biologically active naphthoquinone-derived ligand systems.","Dalton transactions (Cambridge, England : 2003)","2016","45","33","13091","13103","10.1039/c6dt01110a","","","0.71073","MoKα","","0.0272","0.0253","","","0.0651","0.0666","","","","","","1.047","","","","has coordinates","186420","2020-10-21","18:00:00",""
"7039195","18.3763","0.0006","9.2791","0.0003","23.9785","0.0008","90","","98.607","0.002","90","","4042.7","0.2","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C22 H24 Cl N O3 Ru -","- C22 H24 Cl N O3 Ru -","- C176 H192 Cl8 N8 O24 Ru8 -","8","1","","Kubanik, Mario; Kandioller, Wolfgang; Kim, Kunwoo; Anderson, Robert F.; Klapproth, Erik; Jakupec, Michael A.; Roller, Alexander; Söhnel, Tilo; Keppler, Bernhard K.; Hartinger, Christian G.","Towards targeting anticancer drugs: ruthenium(ii)-arene complexes with biologically active naphthoquinone-derived ligand systems.","Dalton transactions (Cambridge, England : 2003)","2016","45","33","13091","13103","10.1039/c6dt01110a","","","0.71073","MoKα","","0.0319","0.0263","","","0.0612","0.064","","","","","","1.043","","","","has coordinates","186420","2020-10-21","18:00:00",""
"7039196","11.8478","0.0004","6.9261","0.0002","13.703","0.0004","90","","98.488","0.002","90","","1112.14","0.06","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C13 H13 N O3 -","- C13 H13 N O3 -","- C52 H52 N4 O12 -","4","1","","Kubanik, Mario; Kandioller, Wolfgang; Kim, Kunwoo; Anderson, Robert F.; Klapproth, Erik; Jakupec, Michael A.; Roller, Alexander; Söhnel, Tilo; Keppler, Bernhard K.; Hartinger, Christian G.","Towards targeting anticancer drugs: ruthenium(ii)-arene complexes with biologically active naphthoquinone-derived ligand systems.","Dalton transactions (Cambridge, England : 2003)","2016","45","33","13091","13103","10.1039/c6dt01110a","","","0.71073","MoKα","","0.0893","0.0531","","","0.1083","0.1243","","","","","","1.055","","","","has coordinates,has disorder","186420","2020-10-21","18:00:00",""
"7039197","14.747","0.002","8.8586","0.0004","13.4233","0.001","90","","119.302","0.007","90","","1529.2","0.3","295","","295","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C10 H8 Co N14 -","- C10 H8 Co N14 -","- C40 H32 Co4 N56 -","4","0.5","","Switlicka-Olszewska, Anna; Palion-Gazda, Joanna; Klemens, Tomasz; Machura, Barbara; Vallejo, Julia; Cano, Joan; Lloret, Francesc; Julve, Miguel","Single-ion magnet behaviour in mononuclear and two-dimensional dicyanamide-containing cobalt(ii) complexes.","Dalton transactions (Cambridge, England : 2003)","2016","45","25","10181","10193","10.1039/c6dt01160h","","","0.71073","MoKα","","0.0316","0.0253","","","0.0599","0.0625","","","","","","1.041","","","","has coordinates","185367","2020-10-21","18:00:00",""
"7039198","9.4691","0.0006","9.6862","0.0006","12.6826","0.0007","92.904","0.005","96.747","0.005","115.86","0.006","1032.73","0.12","293","2","295","2","","","","","","","","4","P -1","-P 1","2","","","","- C44 H40 Co N14 -","- C44 H40 Co N14 -","- C44 H40 Co N14 -","1","0.5","","Switlicka-Olszewska, Anna; Palion-Gazda, Joanna; Klemens, Tomasz; Machura, Barbara; Vallejo, Julia; Cano, Joan; Lloret, Francesc; Julve, Miguel","Single-ion magnet behaviour in mononuclear and two-dimensional dicyanamide-containing cobalt(ii) complexes.","Dalton transactions (Cambridge, England : 2003)","2016","45","25","10181","10193","10.1039/c6dt01160h","","","0.71073","MoKα","","0.0522","0.0381","","","0.0855","0.0908","","","","","","1.05","","","","has coordinates","185367","2020-10-21","18:00:00",""
"7039199","12.725","0.003","12.576","0.003","17.464","0.004","90","","106.57","0.03","90","","2678.7","1.2","295","2","295","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H20 Co N10 -","- C24 H20 Co N10 -","- C96 H80 Co4 N40 -","4","1","","Switlicka-Olszewska, Anna; Palion-Gazda, Joanna; Klemens, Tomasz; Machura, Barbara; Vallejo, Julia; Cano, Joan; Lloret, Francesc; Julve, Miguel","Single-ion magnet behaviour in mononuclear and two-dimensional dicyanamide-containing cobalt(ii) complexes.","Dalton transactions (Cambridge, England : 2003)","2016","45","25","10181","10193","10.1039/c6dt01160h","","","0.71073","MoKα","","0.1029","0.0576","","","0.1422","0.163","","","","","","1.017","","","","has coordinates","185367","2020-10-21","18:00:00",""
"7039200","11.7248","0.0006","12.8927","0.0006","17.6625","0.001","90","","107.706","0.006","90","","2543.5","0.2","295","2","295","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C26 H24 Co N10 -","- C26 H24 Co N10 -","- C104 H96 Co4 N40 -","4","1","","Switlicka-Olszewska, Anna; Palion-Gazda, Joanna; Klemens, Tomasz; Machura, Barbara; Vallejo, Julia; Cano, Joan; Lloret, Francesc; Julve, Miguel","Single-ion magnet behaviour in mononuclear and two-dimensional dicyanamide-containing cobalt(ii) complexes.","Dalton transactions (Cambridge, England : 2003)","2016","45","25","10181","10193","10.1039/c6dt01160h","","","0.71073","MoKα","","0.092","0.0602","","","0.1786","0.1997","","","","","","1.075","","","","has coordinates","185367","2020-10-21","18:00:00",""
"7039201","19.7287","0.0017","15.1632","0.0014","9.0568","0.0008","90","","90","","90","","2709.3","0.4","98","2","98","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C16 H23 N O16 P4 U2 -","- C16 H23 N O16 P4 U2 -","- C64 H92 N4 O64 P16 U8 -","4","0.5","","Zheng, Tao; Gao, Yang; Gui, Daxiang; Chen, Lanhua; Sheng, Daopeng; Diwu, Juan; Chai, Zhifang; Albrecht-Schmitt, Thomas E; Wang, Shuao","Atypical temperature-dependence of symmetry transformation observed in a uranyl phosphonate.","Dalton transactions (Cambridge, England : 2003)","2016","45","22","9031","9035","10.1039/c6dt01011c","","","0.71073","MoKα","","0.0245","0.019","","","0.0564","0.0595","","","","","","1.079","","","","has coordinates,has disorder","185311","2020-10-21","18:00:00",""
"7039202","9.6374","0.0018","15.312","0.003","18.465","0.004","90","","90","","90","","2724.8","0.9","298","2","298","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C16 H23 N O16 P4 U2 -","- C16 H23 N O16 P4 U2 -","- C64 H92 N4 O64 P16 U8 -","4","1","","Zheng, Tao; Gao, Yang; Gui, Daxiang; Chen, Lanhua; Sheng, Daopeng; Diwu, Juan; Chai, Zhifang; Albrecht-Schmitt, Thomas E; Wang, Shuao","Atypical temperature-dependence of symmetry transformation observed in a uranyl phosphonate.","Dalton transactions (Cambridge, England : 2003)","2016","45","22","9031","9035","10.1039/c6dt01011c","","","0.71073","MoKα","","0.0304","0.0242","","","0.0616","0.0708","","","","","","1.093","","","","has coordinates","185311","2020-10-21","18:00:00",""
"7039203","31.211","0.007","30.103","0.007","17.385","0.004","90","","118.71","0.04","90","","14326","8","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C28 H28 Ag2 F12 N8 P2 -","- C28 H28 Ag2 F12 N8 P2 -","- C448 H448 Ag32 F192 N128 P32 -","16","2","","Monticelli, Marco; Tubaro, Cristina; Baron, Marco; Basato, Marino; Sgarbossa, Paolo; Graiff, Claudia; Accorsi, Gianluca; Pell, Thomas P.; Wilson, David J. D.; Barnard, Peter J.","Metal complexes with di(N-heterocyclic carbene) ligands bearing a rigid ortho-, meta or para-phenylene bridge.","Dalton transactions (Cambridge, England : 2003)","2016","45","23","9540","9552","10.1039/c6dt01129b","","","0.71073","MoKα","","0.0767","0.049","","","0.1189","0.1361","","","","","","1.025","","","","has coordinates","185523","2020-10-21","18:00:00",""
"7039204","11.051","0.002","11.852","0.002","16.403","0.003","90","","90","","90","","2148.4","0.7","173","2","173","2","","","","","","","","7","P m c n","-P 2n 2a","62","","","","- C16 H17 Ag2 F6 N4 O2 P -","- C16 H17 Ag2 F6 N4 O2 P -","- C64 H68 Ag8 F24 N16 O8 P4 -","4","0.5","","Monticelli, Marco; Tubaro, Cristina; Baron, Marco; Basato, Marino; Sgarbossa, Paolo; Graiff, Claudia; Accorsi, Gianluca; Pell, Thomas P.; Wilson, David J. D.; Barnard, Peter J.","Metal complexes with di(N-heterocyclic carbene) ligands bearing a rigid ortho-, meta or para-phenylene bridge.","Dalton transactions (Cambridge, England : 2003)","2016","45","23","9540","9552","10.1039/c6dt01129b","","","0.71073","MoKα","","0.0434","0.0325","","","0.0777","0.083","","","","","","1.032","","","","has coordinates","185523","2020-10-21","18:00:00",""
"7039205","8.4681","0.0015","9.6928","0.0017","12.056","0.002","87.014","0.003","84.837","0.003","67.882","0.003","912.8","0.3","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C28 H28 Ag2 F12 N8 P2 -","- C28 H28 Ag2 F12 N8 P2 -","- C28 H28 Ag2 F12 N8 P2 -","1","0.5","","Monticelli, Marco; Tubaro, Cristina; Baron, Marco; Basato, Marino; Sgarbossa, Paolo; Graiff, Claudia; Accorsi, Gianluca; Pell, Thomas P.; Wilson, David J. D.; Barnard, Peter J.","Metal complexes with di(N-heterocyclic carbene) ligands bearing a rigid ortho-, meta or para-phenylene bridge.","Dalton transactions (Cambridge, England : 2003)","2016","45","23","9540","9552","10.1039/c6dt01129b","","","0.71073","MoKα","","0.0571","0.044","","","0.1174","0.1273","","","","","","1.048","","","","has coordinates","185523","2020-10-21","18:00:00",""
"7039206","12.899","0.003","17.022","0.005","17.781","0.005","90","","90","","90","","3904.1","1.8","293","2","293","2","","","","","","","","6","C m c m","-C 2c 2","63","","","","- C30 H31 Au2 F12 N9 P2 -","- C30 H28 Au2 F12 N9 P2 -","- C120 H112 Au8 F48 N36 P8 -","4","0.25","","Monticelli, Marco; Tubaro, Cristina; Baron, Marco; Basato, Marino; Sgarbossa, Paolo; Graiff, Claudia; Accorsi, Gianluca; Pell, Thomas P.; Wilson, David J. D.; Barnard, Peter J.","Metal complexes with di(N-heterocyclic carbene) ligands bearing a rigid ortho-, meta or para-phenylene bridge.","Dalton transactions (Cambridge, England : 2003)","2016","45","23","9540","9552","10.1039/c6dt01129b","","","0.71073","MoKα","","0.0391","0.0304","","","0.0805","0.0845","","","","","","1.06","","","","has coordinates","185523","2020-10-21","18:00:00",""
"7039207","8.437","0.0012","9.906","0.0013","11.951","0.0015","86.876","0.002","84.808","0.002","66.637","0.002","913","0.2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C28 H28 Au2 F12 N8 P2 -","- C28 H28 Au2 F12 N8 P2 -","- C28 H28 Au2 F12 N8 P2 -","1","0.5","","Monticelli, Marco; Tubaro, Cristina; Baron, Marco; Basato, Marino; Sgarbossa, Paolo; Graiff, Claudia; Accorsi, Gianluca; Pell, Thomas P.; Wilson, David J. D.; Barnard, Peter J.","Metal complexes with di(N-heterocyclic carbene) ligands bearing a rigid ortho-, meta or para-phenylene bridge.","Dalton transactions (Cambridge, England : 2003)","2016","45","23","9540","9552","10.1039/c6dt01129b","","","0.71073","MoKα","","0.0441","0.0348","","","0.0901","0.0962","","","","","","0.932","","","","has coordinates","185523","2020-10-21","18:00:00",""
"7039208","8.687","0.001","12.6406","0.0015","26.391","0.003","90","","90","","90","","2898","0.6","293","2","293","2","","","","","","","","7","P 21 n b","P -2bc 2a","33","","","","- C26 H31 Cl F6 N5 P Ru -","- C26 H31 Cl F6 N5 P Ru -","- C104 H124 Cl4 F24 N20 P4 Ru4 -","4","1","","Monticelli, Marco; Tubaro, Cristina; Baron, Marco; Basato, Marino; Sgarbossa, Paolo; Graiff, Claudia; Accorsi, Gianluca; Pell, Thomas P.; Wilson, David J. D.; Barnard, Peter J.","Metal complexes with di(N-heterocyclic carbene) ligands bearing a rigid ortho-, meta or para-phenylene bridge.","Dalton transactions (Cambridge, England : 2003)","2016","45","23","9540","9552","10.1039/c6dt01129b","","","0.71073","MoKα","","0.0548","0.0414","","","0.1036","0.1151","","","","","","1.034","","","","has coordinates","185523","2020-10-21","18:00:00",""
"7039209","14.208","0.0004","14.8298","0.0004","14.8366","0.0004","101.908","0.002","91.158","0.002","109.055","0.002","2878.23","0.14","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C114 H94 Ag2 B2 F48 N10 -","- C114 H94 Ag2 B2 F48 N10 -","- C114 H94 Ag2 B2 F48 N10 -","1","0.5","","Andrew, Rhiann E.; Storey, Caroline M.; Chaplin, Adrian B.","Well-defined coinage metal transfer agents for the synthesis of NHC-based nickel, rhodium and palladium macrocycles.","Dalton transactions (Cambridge, England : 2003)","2016","45","21","8937","8944","10.1039/c6dt01263a","","","0.71073","MoKα","","0.0622","0.0557","","","0.151","0.1561","","","","","","1.059","","","","has coordinates,has disorder","185435","2020-10-21","18:00:00",""
"7039210","8.2779","0.0002","10.9565","0.0003","15.7732","0.0005","100.004","0.002","96.75","0.002","106.179","0.002","1332.04","0.07","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C50 H70 Br4 Cu4 N10 -","- C50 H70 Br4 Cu4 N10 -","- C50 H70 Br4 Cu4 N10 -","1","0.5","","Andrew, Rhiann E.; Storey, Caroline M.; Chaplin, Adrian B.","Well-defined coinage metal transfer agents for the synthesis of NHC-based nickel, rhodium and palladium macrocycles.","Dalton transactions (Cambridge, England : 2003)","2016","45","21","8937","8944","10.1039/c6dt01263a","","x-ray","0.71073","MoKα","","0.0403","0.0292","","","0.0641","0.0685","","","","","","1.036","","","","has coordinates","185435","2020-10-21","18:00:00",""
"7039211","17.1195","0.0004","18.1157","0.0004","20.2735","0.0004","96.1858","0.0017","106.204","0.0019","90.5067","0.0017","5997.6","0.2","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C57 H47 B Cu F24 N5 -","- C57 H47 B Cu F24 N5 -","- C228 H188 B4 Cu4 F96 N20 -","4","2","","Andrew, Rhiann E.; Storey, Caroline M.; Chaplin, Adrian B.","Well-defined coinage metal transfer agents for the synthesis of NHC-based nickel, rhodium and palladium macrocycles.","Dalton transactions (Cambridge, England : 2003)","2016","45","21","8937","8944","10.1039/c6dt01263a","","x-ray","0.71073","MoKα","","0.1113","0.0594","","","0.1398","0.1664","","","","","","1.015","","","","has coordinates,has disorder","185435","2020-10-21","18:00:00",""
"7039212","9.799","0.0004","14.7487","0.0006","21.7093","0.0012","101.223","0.004","99.989","0.004","101.393","0.003","2942.7","0.2","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C57 H47 B Cl F24 N5 Ni -","- C57 H47 B Cl F24 N5 Ni -","- C114 H94 B2 Cl2 F48 N10 Ni2 -","2","1","","Andrew, Rhiann E.; Storey, Caroline M.; Chaplin, Adrian B.","Well-defined coinage metal transfer agents for the synthesis of NHC-based nickel, rhodium and palladium macrocycles.","Dalton transactions (Cambridge, England : 2003)","2016","45","21","8937","8944","10.1039/c6dt01263a","","x-ray","0.71073","MoKα","","0.0811","0.0643","","","0.1415","0.1479","","","","","","1.048","","","","has coordinates,has disorder","185435","2020-10-21","18:00:00",""
"7039213","10.3546","0.0006","15.0837","0.0004","17.2714","0.001","90","","127.97","0.009","90","","2126.6","0.3","119.97","0.18","119.97","0.18","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C15 H35 Fe N3 O Si2 -","- C15 H35 Fe N3 O Si2 -","- C60 H140 Fe4 N12 O4 Si8 -","4","1","","Lake, Benjamin R. M.; Shaver, Michael P.","Iron(ii) β-ketiminate complexes as mediators of controlled radical polymerisation.","Dalton transactions (Cambridge, England : 2003)","2016","45","40","15840","15849","10.1039/c6dt01208f","","x-ray","0.71073","MoKα","","0.0537","0.0393","","","0.0773","0.0826","","","","","","1.055","","","","has coordinates","188217","2020-10-21","18:00:00",""
"7039214","12.06239","0.00009","9.46682","0.00008","18.89946","0.00016","90","","91.069","0.0007","90","","2157.8","0.03","120","0.1","120","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C16 H34 Fe N2 O2 Si2 -","- C16 H34 Fe N2 O2 Si2 -","- C64 H136 Fe4 N8 O8 Si8 -","4","1","","Lake, Benjamin R. M.; Shaver, Michael P.","Iron(ii) β-ketiminate complexes as mediators of controlled radical polymerisation.","Dalton transactions (Cambridge, England : 2003)","2016","45","40","15840","15849","10.1039/c6dt01208f","","x-ray","0.71073","MoKα","","0.035","0.0282","","","0.0661","0.0697","","","","","","1.074","","","","has coordinates","188217","2020-10-21","18:00:00",""
"7039215","15.8709","0.0005","16.366","0.0005","8.6899","0.0003","90","","103.421","0.003","90","","2195.5","0.13","120.01","0.1","120.01","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C17 H31 Fe N3 O Si2 -","- C17 H31 Fe N3 O Si2 -","- C68 H124 Fe4 N12 O4 Si8 -","4","1","","Lake, Benjamin R. M.; Shaver, Michael P.","Iron(ii) β-ketiminate complexes as mediators of controlled radical polymerisation.","Dalton transactions (Cambridge, England : 2003)","2016","45","40","15840","15849","10.1039/c6dt01208f","","x-ray","0.71073","MoKα","","0.0615","0.0434","","","0.0845","0.0915","","","","","","1.063","","","","has coordinates","188217","2020-10-21","18:00:00",""
"7039216","8.8657","0.0006","10.8724","0.0006","12.2568","0.0005","90.425","0.004","100.153","0.005","97.601","0.005","1152.16","0.11","120","0.1","120","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C18 H33 Fe N3 O2 Si2 -","- C18 H33 Fe N3 O2 Si2 -","- C36 H66 Fe2 N6 O4 Si4 -","2","1","","Lake, Benjamin R. M.; Shaver, Michael P.","Iron(ii) β-ketiminate complexes as mediators of controlled radical polymerisation.","Dalton transactions (Cambridge, England : 2003)","2016","45","40","15840","15849","10.1039/c6dt01208f","","x-ray","0.71073","MoKα","","0.0555","0.0428","","","0.0996","0.1088","","","","","","1.06","","","","has coordinates","188217","2020-10-21","18:00:00",""
"7039217","7.8337","0.0003","10.2379","0.0003","10.7448","0.0004","84.382","0.003","72.596","0.004","86.906","0.003","818.06","0.05","120","0.1","120","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C32 H48 Fe2 N4 O4 -","- C32 H48 Fe2 N4 O4 -","- C32 H48 Fe2 N4 O4 -","1","0.5","","Lake, Benjamin R. M.; Shaver, Michael P.","Iron(ii) β-ketiminate complexes as mediators of controlled radical polymerisation.","Dalton transactions (Cambridge, England : 2003)","2016","45","40","15840","15849","10.1039/c6dt01208f","","x-ray","0.71073","MoKα","","0.0359","0.0318","","","0.0707","0.0723","","","","","","1.086","","","","has coordinates","188217","2020-10-21","18:00:00",""
"7039218","8.2528","0.0004","18.5226","0.0006","24.7956","0.0013","90","","119.539","0.007","90","","3297.7","0.3","120","0.1","120","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C36 H40 Fe2 N4 O4 -","- C36 H40 Fe2 N4 O4 -","- C144 H160 Fe8 N16 O16 -","4","1","","Lake, Benjamin R. M.; Shaver, Michael P.","Iron(ii) β-ketiminate complexes as mediators of controlled radical polymerisation.","Dalton transactions (Cambridge, England : 2003)","2016","45","40","15840","15849","10.1039/c6dt01208f","","x-ray","1.54184","CuKα","","0.102","0.0861","","","0.1848","0.1922","","","","","","1.2","","","","has coordinates,has disorder","188217","2020-10-21","18:00:00",""
"7039219","34.0413","0.0013","15.5968","0.0006","20.4395","0.0007","90","","98.031","0.003","90","","10745.6","0.7","120","0.1","120","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C60.83 H69 Fe2 N4 O4 -","- C60.8333 H68.9999 Fe2 N4 O4 -","- C486.667 H551.999 Fe16 N32 O32 -","8","2","","Lake, Benjamin R. M.; Shaver, Michael P.","Iron(ii) β-ketiminate complexes as mediators of controlled radical polymerisation.","Dalton transactions (Cambridge, England : 2003)","2016","45","40","15840","15849","10.1039/c6dt01208f","","x-ray","0.71073","MoKα","","0.0819","0.0608","","","0.1085","0.1158","","","","","","1.121","","","","has coordinates,has disorder","188217","2020-10-21","18:00:00",""
"7039220","12.7953","0.0002","14.0417","0.0003","30.0899","0.0006","90","","91.268","0.0017","90","","5404.86","0.18","120","0.1","120","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C62.38 H57 Fe2 N4 O4 -","- C58 H52 Fe2 N4 O4 -","- C232 H208 Fe8 N16 O16 -","4","1","","Lake, Benjamin R. M.; Shaver, Michael P.","Iron(ii) β-ketiminate complexes as mediators of controlled radical polymerisation.","Dalton transactions (Cambridge, England : 2003)","2016","45","40","15840","15849","10.1039/c6dt01208f","","x-ray","0.71073","MoKα","","0.086","0.0749","","","0.1619","0.1672","","","","","","1.191","","","","has coordinates","188217","2020-10-21","18:00:00",""
"7039221","11.8082","0.0003","12.056","0.0004","15.9552","0.0004","84.253","0.002","75.27","0.002","75.487","0.002","2125.02","0.11","120","0.1","120","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C52 H47 Fe N2 O5 -","- C52 H47 Fe N2 O5 -","- C104 H94 Fe2 N4 O10 -","2","1","","Lake, Benjamin R. M.; Shaver, Michael P.","Iron(ii) β-ketiminate complexes as mediators of controlled radical polymerisation.","Dalton transactions (Cambridge, England : 2003)","2016","45","40","15840","15849","10.1039/c6dt01208f","","x-ray","1.54184","CuKα","","0.0498","0.0471","","","0.1214","0.1251","","","","","","1.046","","","","has coordinates","188217","2020-10-21","18:00:00",""
"7039222","24.3753","0.0007","13.3778","0.0003","17.7885","0.0005","90","","93.949","0.003","90","","5786.8","0.3","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C26 H60 N10 Ni Se14 Sn6 -","- C26 H60 N10 Ni Se14 Sn6 -","- C104 H240 N40 Ni4 Se56 Sn24 -","4","1","","Du, Cheng-Feng; Shen, Nan-Nan; Li, Jian-Rong; Hao, Min-Ting; Wang, Zi; Cheng, Chu-Chu; Huang, Xiao-Ying","Two novel selenidostannates from mixed structure-directing systems: the large ten-membered ring of [Sn3Se4] semicubes and the 3D [Sn4Se9]n(2n-) with multi-channels.","Dalton transactions (Cambridge, England : 2003)","2016","45","23","9523","9528","10.1039/c6dt01482h","","","0.71073","MoKα","","0.0477","0.0365","","","0.0759","0.0812","","","","","","1.009","","","","has coordinates,has disorder","185519","2020-10-21","18:00:00",""
"7039223","31.0882","0.0015","10.5393","0.0007","19.9712","0.0008","90","","99.966","0.004","90","","6444.8","0.6","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C23.5 H58.5 N10.5 Ni Se18 Sn8 -","- C23.5 H58.5 N10.5 Ni Se18 Sn8 -","- C94 H234 N42 Ni4 Se72 Sn32 -","4","1","","Du, Cheng-Feng; Shen, Nan-Nan; Li, Jian-Rong; Hao, Min-Ting; Wang, Zi; Cheng, Chu-Chu; Huang, Xiao-Ying","Two novel selenidostannates from mixed structure-directing systems: the large ten-membered ring of [Sn3Se4] semicubes and the 3D [Sn4Se9]n(2n-) with multi-channels.","Dalton transactions (Cambridge, England : 2003)","2016","45","23","9523","9528","10.1039/c6dt01482h","","","0.71073","MoKα","","0.0746","0.0538","","","0.1118","0.1255","","","","","","1.044","","","","has coordinates,has disorder","185519","2020-10-21","18:00:00",""
"7039224","31.96","0.003","17.64","0.002","36.606","0.004","90","","92.087","0.007","90","","20624","4","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C108 H96 Br12 N24 O12 Pd6 -","- C108 H96 Br12 N24 O12 Pd6 -","- C432 H384 Br48 N96 O48 Pd24 -","4","1","","Noh, Tae Hwan; Lee, Haeri; Kim, Doeon; Moon, Dohyun; Lee, Young-A; Jung, Ok-Sang","Photoreaction of adsorbed diiodomethane: halide effects of a series of neutral palladium(ii) coordination cages.","Dalton transactions (Cambridge, England : 2003)","2016","45","23","9574","9581","10.1039/c6dt01278g","","","0.71073","MoKα","","0.2509","0.0627","","","0.1476","0.1619","","","","","","0.585","","","","has coordinates","185510","2020-10-21","18:00:00",""
"7039225","31.977","0.006","17.382","0.004","35.886","0.007","90","","92.14","0.03","90","","19932","7","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C108 H96 I12 N24 O12 Pd6 -","- C108 H96 I12 N24 O12 Pd6 -","- C432 H384 I48 N96 O48 Pd24 -","4","1","","Noh, Tae Hwan; Lee, Haeri; Kim, Doeon; Moon, Dohyun; Lee, Young-A; Jung, Ok-Sang","Photoreaction of adsorbed diiodomethane: halide effects of a series of neutral palladium(ii) coordination cages.","Dalton transactions (Cambridge, England : 2003)","2016","45","23","9574","9581","10.1039/c6dt01278g","","","0.8","synchrotron","","0.1425","0.109","","","0.3504","0.3662","","","","","","1.305","","","","has coordinates","185510","2020-10-21","18:00:00",""
"7039226","26.0928","0.0015","30.8329","0.0015","61.733","0.004","90","","90","","90","","49665","5","173","2","173","2","","","","","","","","7","F d d d","-F 2uv 2vw","70","","","","- C120 H132 Cl12 N24 O18 Pd6 S6 -","- C120 H132 Cl12 N24 O18 Pd6 S6 -","- C960 H1056 Cl96 N192 O144 Pd48 S48 -","8","","","Noh, Tae Hwan; Lee, Haeri; Kim, Doeon; Moon, Dohyun; Lee, Young-A; Jung, Ok-Sang","Photoreaction of adsorbed diiodomethane: halide effects of a series of neutral palladium(ii) coordination cages.","Dalton transactions (Cambridge, England : 2003)","2016","45","23","9574","9581","10.1039/c6dt01278g","","","0.71073","MoKα","","0.1441","0.0626","","","0.1969","0.2129","","","","","","0.944","","","","has coordinates,has disorder","185510","2020-10-21","18:00:00",""
"7039227","24.1609","0.0013","32.4937","0.001","16.4506","0.0004","90","","101.091","0.004","90","","12673.8","0.9","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C51 H64 Cl6 I2 N4 O4 -","- C51 H64 Cl6 I2 N4 O4 -","- C408 H512 Cl48 I16 N32 O32 -","8","2","","Patchett, Ruth; Chaplin, Adrian B.","Coordination chemistry of a calix[4]arene-based NHC ligand: dinuclear complexes and comparison to I(i)Pr2Me2.","Dalton transactions (Cambridge, England : 2003)","2016","45","21","8945","8955","10.1039/c6dt01001f","","x-ray","1.54184","CuKα","","0.1423","0.0843","","","0.2352","0.2691","","","","","","0.951","","","","has coordinates,has disorder","185440","2020-10-21","18:00:00",""
"7039228","13.07898","0.00015","27.764","0.0003","17.30754","0.00019","90","","99.4834","0.0011","90","","6198.91","0.12","200","2","200","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C64 H80 I2 N4 O4 Rh2 -","- C64 H80 I2 N4 O4 Rh2 -","- C256 H320 I8 N16 O16 Rh8 -","4","1","","Patchett, Ruth; Chaplin, Adrian B.","Coordination chemistry of a calix[4]arene-based NHC ligand: dinuclear complexes and comparison to I(i)Pr2Me2.","Dalton transactions (Cambridge, England : 2003)","2016","45","21","8945","8955","10.1039/c6dt01001f","","x-ray","0.71073","MoKα","","0.042","0.0304","","","0.0865","0.0943","","","","","","1.165","","","","has coordinates,has disorder","185440","2020-10-21","18:00:00",""
"7039229","10.94671","0.00013","13.02535","0.00013","14.51455","0.00015","90","","96.9118","0.001","90","","2054.51","0.04","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H32 I N2 Rh -","- C19 H32 I N2 Rh -","- C76 H128 I4 N8 Rh4 -","4","1","","Patchett, Ruth; Chaplin, Adrian B.","Coordination chemistry of a calix[4]arene-based NHC ligand: dinuclear complexes and comparison to I(i)Pr2Me2.","Dalton transactions (Cambridge, England : 2003)","2016","45","21","8945","8955","10.1039/c6dt01001f","","x-ray","0.71073","MoKα","","0.0227","0.0183","","","0.0507","0.0636","","","","","","1.231","","","","has coordinates","185440","2020-10-21","18:00:00",""
"7039230","11.5261","0.0008","19.1677","0.0009","20.4328","0.0007","85.952","0.003","77.095","0.005","80.605","0.005","4338.4","0.4","250","2","250","2","","","","","","","","7","P -1","-P 1","2","","","","- C80 H68 Ag B F24 N4 O4 -","- C80 H68 Ag B F24 N4 O4 -","- C160 H136 Ag2 B2 F48 N8 O8 -","2","1","","Patchett, Ruth; Chaplin, Adrian B.","Coordination chemistry of a calix[4]arene-based NHC ligand: dinuclear complexes and comparison to I(i)Pr2Me2.","Dalton transactions (Cambridge, England : 2003)","2016","45","21","8945","8955","10.1039/c6dt01001f","","x-ray","0.71073","MoKα","","0.1092","0.0618","","","0.1515","0.186","","","","","","1.01","","","","has coordinates,has disorder","185440","2020-10-21","18:00:00",""
"7039231","10.29827","0.00016","20.4557","0.0003","29.5742","0.0004","90","","95.691","0.0014","90","","6199.34","0.16","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C54 H52 Ag B F24 N4 -","- C54 H52 Ag B F24 N4 -","- C216 H208 Ag4 B4 F96 N16 -","4","1","","Patchett, Ruth; Chaplin, Adrian B.","Coordination chemistry of a calix[4]arene-based NHC ligand: dinuclear complexes and comparison to I(i)Pr2Me2.","Dalton transactions (Cambridge, England : 2003)","2016","45","21","8945","8955","10.1039/c6dt01001f","","x-ray","0.71073","MoKα","","0.0822","0.0586","","","0.1515","0.1672","","","","","","1.02","","","","has coordinates,has disorder","185440","2020-10-21","18:00:00",""
"7039232","14.1084","0.0004","25.7959","0.0007","21.8486","0.0007","90","","105.666","0.003","90","","7656.2","0.4","150","2","150","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C71 H78 B Cl3 F24 N4 Rh2 -","- C71 H78 B Cl3 F24 N4 Rh2 -","- C284 H312 B4 Cl12 F96 N16 Rh8 -","4","1","","Patchett, Ruth; Chaplin, Adrian B.","Coordination chemistry of a calix[4]arene-based NHC ligand: dinuclear complexes and comparison to I(i)Pr2Me2.","Dalton transactions (Cambridge, England : 2003)","2016","45","21","8945","8955","10.1039/c6dt01001f","","x-ray","0.71073","MoKα","","0.0551","0.0446","","","0.1084","0.1139","","","","","","1.052","","","","has coordinates,has disorder","185440","2020-10-21","18:00:00",""
"7039233","19.6345","0.0004","22.6778","0.0005","20.0799","0.0004","90","","109.352","0.003","90","","8435.8","0.3","150","2","150","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C84 H68 B Cl F24 N4 O8 Rh2 -","- C84 H68 B Cl F24 N4 O8 Rh2 -","- C336 H272 B4 Cl4 F96 N16 O32 Rh8 -","4","1","","Patchett, Ruth; Chaplin, Adrian B.","Coordination chemistry of a calix[4]arene-based NHC ligand: dinuclear complexes and comparison to I(i)Pr2Me2.","Dalton transactions (Cambridge, England : 2003)","2016","45","21","8945","8955","10.1039/c6dt01001f","","x-ray","0.71073","MoKα","","0.2973","0.2744","","","0.6103","0.6304","","","","","","2.559","","","","has coordinates,has disorder","185440","2020-10-21","18:00:00",""
"7039234","12.2319","0.0003","13.2693","0.0003","21.7143","0.0004","100.987","0.0015","94.9257","0.0017","91.7507","0.0018","3443.07","0.13","150","2","150","2","","","","","","","","8","P -1","-P 1","2","","","","- C58 H52 B Cl F24 N4 O4 Rh2 -","- C58 H52 B Cl F24 N4 O4 Rh2 -","- C116 H104 B2 Cl2 F48 N8 O8 Rh4 -","2","1","","Patchett, Ruth; Chaplin, Adrian B.","Coordination chemistry of a calix[4]arene-based NHC ligand: dinuclear complexes and comparison to I(i)Pr2Me2.","Dalton transactions (Cambridge, England : 2003)","2016","45","21","8945","8955","10.1039/c6dt01001f","","x-ray","0.71073","MoKα","","0.0566","0.0429","","","0.107","0.1152","","","","","","1.037","","","","has coordinates,has disorder","185440","2020-10-21","18:00:00",""
"7039235","12.863","0.0002","24.3781","0.0005","20.3511","0.0004","90","","90.0784","0.0015","90","","6381.6","0.2","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C62 H64 B F24 N4 Rh -","- C62 H64 B F24 N4 Rh -","- C248 H256 B4 F96 N16 Rh4 -","4","1","","Patchett, Ruth; Chaplin, Adrian B.","Coordination chemistry of a calix[4]arene-based NHC ligand: dinuclear complexes and comparison to I(i)Pr2Me2.","Dalton transactions (Cambridge, England : 2003)","2016","45","21","8945","8955","10.1039/c6dt01001f","","x-ray","0.71073","MoKα","","0.0635","0.0534","","","0.1192","0.124","","","","","","1.154","","","","has coordinates,has disorder","185440","2020-10-21","18:00:00",""
"7039236","17.0878","0.0003","18.9928","0.0003","19.5695","0.0004","79.197","0.0013","87.6582","0.0015","76.3505","0.0014","6062.4","0.19","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C56 H52 B F24 N4 O2 Rh -","- C56 H52 B F24 N4 O2 Rh -","- C224 H208 B4 F96 N16 O8 Rh4 -","4","2","","Patchett, Ruth; Chaplin, Adrian B.","Coordination chemistry of a calix[4]arene-based NHC ligand: dinuclear complexes and comparison to I(i)Pr2Me2.","Dalton transactions (Cambridge, England : 2003)","2016","45","21","8945","8955","10.1039/c6dt01001f","","x-ray","0.71073","MoKα","","0.0613","0.0445","","","0.1066","0.1161","","","","","","1.019","","","","has coordinates,has disorder","185440","2020-10-21","18:00:00",""
"7039237","15.0554","0.0005","29.0734","0.0011","22.3017","0.0008","90","","106.594","0.004","90","","9355.2","0.6","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C90 H113 Dy2 Ga4 N5 O26 -","- C90 H113 Dy2 Ga4 N5 O26 -","- C360 H452 Dy8 Ga16 N20 O104 -","4","1","","Chen, Sihuai; Mereacre, Valeriu; Anson, Christopher E.; Powell, Annie K.","First heterometallic Ga(III)-Dy(III) single-molecule magnets: implication of Ga(III) in extracting Fe-Dy interaction.","Dalton transactions (Cambridge, England : 2003)","2016","45","22","9336","9344","10.1039/c6dt01364c","","","0.71073","MoKα","","0.1029","0.066","","","0.1047","0.1196","","","","","","1.103","","","","has coordinates,has disorder","185306","2020-10-21","18:00:00",""
"7039238","15.4662","0.0004","16.8729","0.0005","29.165","0.0008","87.415","0.002","87.793","0.002","68.609","0.003","7077.4","0.4","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C136 H168 Dy4 Ga4 N8 O36 -","- C136 H168 Dy4 Ga4 N8 O36 -","- C272 H336 Dy8 Ga8 N16 O72 -","2","1","","Chen, Sihuai; Mereacre, Valeriu; Anson, Christopher E.; Powell, Annie K.","First heterometallic Ga(III)-Dy(III) single-molecule magnets: implication of Ga(III) in extracting Fe-Dy interaction.","Dalton transactions (Cambridge, England : 2003)","2016","45","22","9336","9344","10.1039/c6dt01364c","","","0.71073","MoKα","","0.0976","0.0653","","","0.1062","0.1196","","","","","","1.122","","","","has coordinates,has disorder","185306","2020-10-21","18:00:00",""
"7039239","9.544","0.003","8.859","0.003","15.195","0.004","90","","91.73","0.03","90","","1284.2","0.7","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C26 H26 N4 O6 U -","- C26 H26 N4 O6 U -","- C52 H52 N8 O12 U2 -","2","0.5","","Tsantis, Sokratis T.; Zagoraiou, Eirini; Savvidou, Aikaterini; Raptopoulou, Catherine P.; Psycharis, Vassilis; Szyrwiel, Lukasz; Hołyńska, Małgorzata; Perlepes, Spyros P.","Binding of oxime group to uranyl ion.","Dalton transactions (Cambridge, England : 2003)","2016","45","22","9307","9319","10.1039/c6dt01293k","","","0.71073","MoKα","","0.0569","0.0323","","","0.0679","0.0774","","","","","","1","","","","has coordinates","185307","2020-10-21","18:00:00",""
"7039240","8.5148","0.0002","10.3208","0.0002","14.439","0.0003","93.529","0.001","100.261","0.001","95.394","0.001","1239.09","0.05","160","2","160","2","","","","","","","","5","P -1","-P 1","2","","","","- C34 H52 N10 O22 U3 -","- C34 H52 N10 O22 U3 -","- C34 H52 N10 O22 U3 -","1","0.5","","Tsantis, Sokratis T.; Zagoraiou, Eirini; Savvidou, Aikaterini; Raptopoulou, Catherine P.; Psycharis, Vassilis; Szyrwiel, Lukasz; Hołyńska, Małgorzata; Perlepes, Spyros P.","Binding of oxime group to uranyl ion.","Dalton transactions (Cambridge, England : 2003)","2016","45","22","9307","9319","10.1039/c6dt01293k","","","1.54178","CuKα","","0.0442","0.0426","","","0.1064","0.1087","","","","","","1.057","","","","has coordinates","185307","2020-10-21","18:00:00",""
"7039241","7.5311","0.0004","8.3134","0.0005","9.0115","0.0005","71.652","0.002","66.613","0.002","66.9","0.002","467.8","0.05","160","2","160","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H22 N4 O6 U -","- C16 H22 N4 O6 U -","- C16 H22 N4 O6 U -","1","0.5","","Tsantis, Sokratis T.; Zagoraiou, Eirini; Savvidou, Aikaterini; Raptopoulou, Catherine P.; Psycharis, Vassilis; Szyrwiel, Lukasz; Hołyńska, Małgorzata; Perlepes, Spyros P.","Binding of oxime group to uranyl ion.","Dalton transactions (Cambridge, England : 2003)","2016","45","22","9307","9319","10.1039/c6dt01293k","","","0.71073","MoKα","","0.0135","0.0135","","","0.0323","0.0323","","","","","","1.058","","","","has coordinates","185307","2020-10-21","18:00:00",""
"7039242","8.7891","0.0003","11.15","0.0003","13.054","0.0004","90","","108.448","0.001","90","","1213.53","0.06","160","2","160","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H22 N4 O12 U2 -","- C18 H22 N4 O12 U2 -","- C36 H44 N8 O24 U4 -","2","0.5","","Tsantis, Sokratis T.; Zagoraiou, Eirini; Savvidou, Aikaterini; Raptopoulou, Catherine P.; Psycharis, Vassilis; Szyrwiel, Lukasz; Hołyńska, Małgorzata; Perlepes, Spyros P.","Binding of oxime group to uranyl ion.","Dalton transactions (Cambridge, England : 2003)","2016","45","22","9307","9319","10.1039/c6dt01293k","","","1.54178","CuKα","","0.0769","0.0599","","","0.1249","0.1455","","","","","","1.146","","","","has coordinates","185307","2020-10-21","18:00:00",""
"7039243","28.0168","0.001","28.0168","0.001","21.7936","0.0007","90","","90","","90","","17106.7","1","100","2","100.02","0.1","","","","","","","","7","P 42/m m c","-P 4c 2","131","Gd12","Gd12","","- C172 H418 Co Gd12 N24 O114 P12 -","- C132 H250 Co Gd12 N11.9988 O104 P12 -","- C264 H500 Co2 Gd24 N23.9976 O208 P24 -","2","0.125","","Zhang, Ze-Min; Zangana, Karzan H.; Kostopoulos, Andreas K.; Tong, Ming-Liang; Winpenny, Richard E. P.","A pseudo-icosahedral cage {Gd12} based on aminomethylphosphonate.","Dalton transactions (Cambridge, England : 2003)","2016","45","22","9041","9044","10.1039/c6dt00876c","","","0.71073","MoKα","","0.142","0.0803","","","0.2343","0.2654","","","","","","1.008","","","","has coordinates","185313","2020-10-21","18:00:00",""
"7039244","9.1696","0.0008","10.2343","0.0009","41.196","0.004","90","","90","","90","","3866","0.6","100","","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C28 H24 B O10 S16 -","- C28 H24 B O10 S16 -","- C112 H96 B4 O40 S64 -","4","1","","Lopez, Jordan R.; Martin, Lee; Wallis, John D.; Akutsu, Hiroki; Nakazawa, Yasuhiro; Yamada, Jun-Ichi; Kadoya, Tomofumi; Coles, Simon J.; Wilson, Claire","Enantiopure and racemic radical-cation salts of B(malate)2(-) anions with BEDT-TTF.","Dalton transactions (Cambridge, England : 2003)","2016","45","22","9285","9293","10.1039/c6dt01038e","","","0.71075","MoKα","","0.0825","0.076","","","0.1891","0.198","","","","","","1.064","","","","has coordinates","185314","2020-10-21","18:00:00",""
"7039245","8.662","0.0004","11.9323","0.0005","21.7062","0.0007","76.855","0.005","84.526","0.006","70.436","0.005","2058.13","0.16","150","","150","","","","","","","","","5","P -1","-P 1","2","","","","- C28 H29.44 B O12.72 S16 -","- C28 H29.436 B O12.718 S16 -","- C56 H58.872 B2 O25.436 S32 -","2","1","","Lopez, Jordan R.; Martin, Lee; Wallis, John D.; Akutsu, Hiroki; Nakazawa, Yasuhiro; Yamada, Jun-Ichi; Kadoya, Tomofumi; Coles, Simon J.; Wilson, Claire","Enantiopure and racemic radical-cation salts of B(malate)2(-) anions with BEDT-TTF.","Dalton transactions (Cambridge, England : 2003)","2016","45","22","9285","9293","10.1039/c6dt01038e","","","0.71075","MoKα","","0.0623","0.045","","","0.1125","0.1205","","","","","","1.034","","","","has coordinates","185314","2020-10-21","18:00:00",""
"7039246","8.7239","0.0003","12.0104","0.0003","21.7699","0.0006","76.913","0.005","84.377","0.006","70.239","0.005","2090.35","0.13","250","","250","","","","","","","","","5","P -1","-P 1","2","","","","- C28 H29.43 B O12.72 S16 -","- C28 H29.434 B O12.717 S16 -","- C56 H58.868 B2 O25.434 S32 -","2","1","","Lopez, Jordan R.; Martin, Lee; Wallis, John D.; Akutsu, Hiroki; Nakazawa, Yasuhiro; Yamada, Jun-Ichi; Kadoya, Tomofumi; Coles, Simon J.; Wilson, Claire","Enantiopure and racemic radical-cation salts of B(malate)2(-) anions with BEDT-TTF.","Dalton transactions (Cambridge, England : 2003)","2016","45","22","9285","9293","10.1039/c6dt01038e","","","0.71075","MoKα","","0.0773","0.0502","","","0.1229","0.1353","","","","","","1.03","","","","has coordinates","185314","2020-10-21","18:00:00",""
"7039247","11.598","0.005","13.656","0.005","12.222","0.005","90","0.005","117.992","0.005","90","0.005","1709.3","1.2","181","2","180","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C14 H21 Cl2 N2 P Pd -","- C14 H21 Cl2 N2 P Pd -","- C56 H84 Cl8 N8 P4 Pd4 -","4","1","","Suárez-Meneses, J V; Oukhrib, A.; Gouygou, M.; Urrutigoïty, M; Daran, J.-C.; Cordero-Vargas, A; Ortega-Alfaro, M C; López-Cortés, J G","[N,P]-pyrrole PdCl2 complexes catalyzed the formation of dibenzo-α-pyrone and lactam analogues.","Dalton transactions (Cambridge, England : 2003)","2016","45","23","9621","9630","10.1039/c6dt01022a","","x-ray","0.71073","MoKα","","0.0287","0.0224","","","0.052","0.0549","","","","","","1.042","","","","has coordinates","185509","2020-10-21","18:00:00",""
"7039248","10.2393","0.0008","9.872","0.0007","14.4784","0.0011","90","","98.46","0.001","90","","1447.59","0.19","100","2","100","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C10 H8 N11 Nb O -","- C10 H8 N11 Nb O -","- C40 H32 N44 Nb4 O4 -","4","1","","Haiges, Ralf; Vasiliu, Monica; Dixon, David A.; Christe, Karl O.","The niobium oxoazides [NbO(N3)3], [NbO(N3)3·2CH3CN], [(bipy)NbO(N3)3], Cs2[NbO(N3)5] and [PPh4]2[NbO(N3)5].","Dalton transactions (Cambridge, England : 2003)","2016","45","26","10523","10529","10.1039/c6dt01479h","","","0.71073","MoKα","","0.0264","0.0233","","","0.05","0.0518","","","","","","1.094","","","","has coordinates","185341","2020-10-21","18:00:00",""
"7039249","12.9621","0.0012","13.284","0.0012","14.0506","0.0013","86.124","0.002","85.66","0.002","73.985","0.001","2316","0.4","133","2","133","2","","","","","","","acetonitrile","6","P -1","-P 1","2","","","","- C48 H40 N15 Nb O P2 -","- C48 H40 N15 Nb O P2 -","- C96 H80 N30 Nb2 O2 P4 -","2","1","","Haiges, Ralf; Vasiliu, Monica; Dixon, David A.; Christe, Karl O.","The niobium oxoazides [NbO(N3)3], [NbO(N3)3·2CH3CN], [(bipy)NbO(N3)3], Cs2[NbO(N3)5] and [PPh4]2[NbO(N3)5].","Dalton transactions (Cambridge, England : 2003)","2016","45","26","10523","10529","10.1039/c6dt01479h","","","0.71073","MoKα","","0.0503","0.0361","","","0.0887","0.0929","","","","","","1.054","","","","has coordinates","185341","2020-10-21","18:00:00",""
"7039250","12.5793","0.0015","16.4373","0.0019","12.8012","0.0015","90","","92.433","0.002","90","","2644.5","0.5","133","2","133","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","Cs2NbON15","","","- Cs2 N15 Nb O -","- Cs2 N15 Nb O -","- Cs16 N120 Nb8 O8 -","8","1","","Haiges, Ralf; Vasiliu, Monica; Dixon, David A.; Christe, Karl O.","The niobium oxoazides [NbO(N3)3], [NbO(N3)3·2CH3CN], [(bipy)NbO(N3)3], Cs2[NbO(N3)5] and [PPh4]2[NbO(N3)5].","Dalton transactions (Cambridge, England : 2003)","2016","45","26","10523","10529","10.1039/c6dt01479h","","","0.71073","MoKα","","0.0226","0.02","","","0.0442","0.045","","","","","","1.053","","","","has coordinates,has disorder","185341","2020-10-21","18:00:00",""
"7039251","18.1495","0.0015","22.5027","0.0019","23.189","0.002","90","","90","","90","","9470.7","1.4","123","","123","","","","","","","","","9","P b c a","-P 2ac 2ab","61","","","","- C75 H70 Cl14 F12 Ir2 N8 O8 P2 S4 -","- C75 H70 Cl14 F12 Ir2 N8 O8 P2 S4 -","- C300 H280 Cl56 F48 Ir8 N32 O32 P8 S16 -","4","0.5","","Ertl, Cathrin D.; Gil-Escrig, Lidón; Cerdá, Jesús; Pertegás, Antonio; Bolink, Henk J.; Junquera-Hernández, José M; Prescimone, Alessandro; Neuburger, Markus; Constable, Edwin C.; Ortí, Enrique; Housecroft, Catherine E.","Regioisomerism in cationic sulfonyl-substituted [Ir(C^N)2(N^N)](+) complexes: its influence on photophysical properties and LEC performance.","Dalton transactions (Cambridge, England : 2003)","2016","45","29","11668","11681","10.1039/c6dt01325b","","","0.71073","MoKα","","0.0871","0.0524","","0.1539","0.126","0.1526","","","","","","1.0026","","","","has coordinates,has disorder","185472","2020-10-21","18:00:00",""
"7039252","20.6753","0.0013","20.9141","0.0013","18.3265","0.0012","90","","104.473","0.002","90","","7673","0.8","123","","123","","","","","","","","C. Ertl","8","P 1 21/c 1","-P 2ybc","14","","","","- C68 H67 F12 Ir2 N8 O13.5 P2 S4 -","- C68 H67 F12 Ir2 N8 O13.5 P2 S4 -","- C272 H268 F48 Ir8 N32 O54 P8 S16 -","4","1","","Ertl, Cathrin D.; Gil-Escrig, Lidón; Cerdá, Jesús; Pertegás, Antonio; Bolink, Henk J.; Junquera-Hernández, José M; Prescimone, Alessandro; Neuburger, Markus; Constable, Edwin C.; Ortí, Enrique; Housecroft, Catherine E.","Regioisomerism in cationic sulfonyl-substituted [Ir(C^N)2(N^N)](+) complexes: its influence on photophysical properties and LEC performance.","Dalton transactions (Cambridge, England : 2003)","2016","45","29","11668","11681","10.1039/c6dt01325b","","","1.5418","CuKα","","0.0458","0.0422","","0.1143","0.112","0.1143","","","","","","0.9557","","","","has coordinates","185472","2020-10-21","18:00:00",""
"7039253","15.6899","0.0016","28.163","0.003","8.4211","0.0009","90","","115.797","0.003","90","","3350.2","0.6","123","","123","","","","","","","","C.Ertl","8","C 1 2/c 1","-C 2yc","15","","","","- C34 H28 F6 Ir N4 O4 P S2 -","- C34 H28 F6 Ir N4 O4 P S2 -","- C136 H112 F24 Ir4 N16 O16 P4 S8 -","4","0.5","","Ertl, Cathrin D.; Gil-Escrig, Lidón; Cerdá, Jesús; Pertegás, Antonio; Bolink, Henk J.; Junquera-Hernández, José M; Prescimone, Alessandro; Neuburger, Markus; Constable, Edwin C.; Ortí, Enrique; Housecroft, Catherine E.","Regioisomerism in cationic sulfonyl-substituted [Ir(C^N)2(N^N)](+) complexes: its influence on photophysical properties and LEC performance.","Dalton transactions (Cambridge, England : 2003)","2016","45","29","11668","11681","10.1039/c6dt01325b","","","1.54178","CuKα","","0.0223","0.0222","","0.0486","0.0486","0.0486","","","","","","1","","","","has coordinates","185472","2020-10-21","18:00:00",""
"7039254","10.2096","0.0005","10.3051","0.0005","17.2339","0.0008","106.673","0.002","96.855","0.002","92.707","0.002","1718.21","0.14","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C36 H30 Cl2 F6 N2 P2 Ru -","- C36 H30 Cl2 F6 N2 P2 Ru -","- C72 H60 Cl4 F12 N4 P4 Ru2 -","2","1","","Florindo, Pedro R.; Pereira, Diane M.; Borralho, Pedro M.; Costa, Paulo J.; Piedade, M. F. M.; Rodrigues, Cecília M P; Fernandes, Ana C.","New [(η(5)-C5H5)Ru(N-N)(PPh3)][PF6] compounds: colon anticancer activity and GLUT-mediated cellular uptake of carbohydrate-appended complexes.","Dalton transactions (Cambridge, England : 2003)","2016","45","30","11926","11930","10.1039/c6dt01571a","","","0.71073","MoKα","","0.0603","0.0538","","","0.148","0.1527","","","","","","1.031","","","","has coordinates,has disorder","185319","2020-10-21","18:00:00",""
"7039255","12.538","0.0007","14.8077","0.0008","20.7137","0.0011","90","","93.309","0.003","90","","3839.3","0.4","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C47 H36 F6 N2 P2 Ru -","- C47 H36 F6 N2 P2 Ru -","- C188 H144 F24 N8 P8 Ru4 -","4","1","","Florindo, Pedro R.; Pereira, Diane M.; Borralho, Pedro M.; Costa, Paulo J.; Piedade, M. F. M.; Rodrigues, Cecília M P; Fernandes, Ana C.","New [(η(5)-C5H5)Ru(N-N)(PPh3)][PF6] compounds: colon anticancer activity and GLUT-mediated cellular uptake of carbohydrate-appended complexes.","Dalton transactions (Cambridge, England : 2003)","2016","45","30","11926","11930","10.1039/c6dt01571a","","","0.71073","MoKα","","0.116","0.0684","","","0.1515","0.1795","","","","","","1.135","","","","has coordinates","185319","2020-10-21","18:00:00",""
"7039256","8.9767","0.0009","11.4668","0.0012","18.2078","0.0019","103.419","0.004","102.943","0.004","99.85","0.004","1726.8","0.3","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C41 H32 F6 N2 P2 Ru -","- C41 H32 F6 N2 P2 Ru -","- C82 H64 F12 N4 P4 Ru2 -","2","1","","Florindo, Pedro R.; Pereira, Diane M.; Borralho, Pedro M.; Costa, Paulo J.; Piedade, M. F. M.; Rodrigues, Cecília M P; Fernandes, Ana C.","New [(η(5)-C5H5)Ru(N-N)(PPh3)][PF6] compounds: colon anticancer activity and GLUT-mediated cellular uptake of carbohydrate-appended complexes.","Dalton transactions (Cambridge, England : 2003)","2016","45","30","11926","11930","10.1039/c6dt01571a","","","0.71073","MoKα","","0.0367","0.0305","","","0.0752","0.0779","","","","","","1.046","","","","has coordinates","185319","2020-10-21","18:00:00",""
"7039257","13.3936","0.0015","13.3936","0.0015","13.3936","0.0015","90","","90","","90","","2402.7","0.5","293","2","293","2","","","","","","","","5","P 21 3","P 2ac 2ab 3","198","","","","- C27 H18 N3 O4 P -","- C27 H18 N3 O4 P -","- C108 H72 N12 O16 P4 -","4","0.333333","","Sain, Dibyendu; Kumari, Chanda; Kumar, Ashish; Nayek, Hari Pada; Dey, Swapan","Lead ion induced chemodosimeter approach of a tripodal hydroxyl-quinoline based phospho-ester through P-O bond cleavage.","Dalton transactions (Cambridge, England : 2003)","2016","45","22","9187","9192","10.1039/c6dt00941g","","","0.71073","MoKα","","0.0641","0.049","","","0.1293","0.1424","","","","","","0.854","","","","has coordinates","185299","2020-10-21","18:00:00",""
"7039258","10.247","","11.756","","12.669","","65.39","","75.83","","82.73","","1344.78","","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C54 H36 Cl2 N6 O14 P0 Pb4 -","- C54 H36 Cl2 N6 O14 Pb4 -","- C54 H36 Cl2 N6 O14 Pb4 -","1","0.5","","Sain, Dibyendu; Kumari, Chanda; Kumar, Ashish; Nayek, Hari Pada; Dey, Swapan","Lead ion induced chemodosimeter approach of a tripodal hydroxyl-quinoline based phospho-ester through P-O bond cleavage.","Dalton transactions (Cambridge, England : 2003)","2016","45","22","9187","9192","10.1039/c6dt00941g","","","0.71073","MoKα","","0.0795","0.0383","","","0.079","0.0884","","","","","","1.05","","","","has coordinates","185299","2020-10-21","18:00:00",""
"7039259","13.7844","0.0015","9.8719","0.0011","21.2839","0.0019","90","","125.688","0.005","90","","2352.4","0.4","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C30 H21 O4 P -","- C30 H21 O4 P -","- C120 H84 O16 P4 -","4","1","","Sain, Dibyendu; Kumari, Chanda; Kumar, Ashish; Nayek, Hari Pada; Dey, Swapan","Lead ion induced chemodosimeter approach of a tripodal hydroxyl-quinoline based phospho-ester through P-O bond cleavage.","Dalton transactions (Cambridge, England : 2003)","2016","45","22","9187","9192","10.1039/c6dt00941g","","","0.71073","MoKα","","0.0948","0.0487","","","0.1083","0.1292","","","","","","1.016","","","","has coordinates","185299","2020-10-21","18:00:00",""
"7039260","20.197","0.017","18.197","0.015","18.417","0.015","90","","96.093","0.014","90","","6730","10","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C66 H78 Br2 N6 O6 Pd -","- C66 H78 Br2 N6 O6 Pd -","- C264 H312 Br8 N24 O24 Pd4 -","4","1","","Zhang, Dao; He, Yu; Tang, Junkai","Chiral linker-bridged bis-N-heterocyclic carbenes: design, synthesis, palladium complexes, and catalytic properties.","Dalton transactions (Cambridge, England : 2003)","2016","45","29","11699","11709","10.1039/c6dt00984k","","","0.71073","MoKα","","0.1786","0.0716","","","0.1571","0.1748","","","","","","0.935","","","","has coordinates,has disorder","185478","2020-10-21","18:00:00",""
"7039261","5.8693","0.0004","8.7664","0.0008","18.5843","0.0013","95.209","0.007","89.257","0.006","109.426","0.007","897.9","0.13","180","","180","","","","","","","","","6","P -1","-P 1","2","","","","- C14 H19 N4 O2 P S2 -","- C14 H19 N4 O2 P S2 -","- C28 H38 N8 O4 P2 S4 -","2","1","","Zablocka, Maria; Oshovsky, Gennady; Duhayon, Carine; Ladeira, Sonia; Caminade, Anne-Marie; Mignani, Serge; Majoral, Jean-Pierre","Thiazoyl phosphines. Design, reactivity, and complexation.","Dalton transactions (Cambridge, England : 2003)","2016","45","23","9695","9703","10.1039/c6dt01106c","","","0.71073","MoKα","","0.0473","0.0389","","0.0489","0.0452","0.0437","","","","","","1.0954","","","","has coordinates","185511","2020-10-21","18:00:00",""
"7039262","15.0238","0.0016","11.6122","0.001","20.9195","0.0019","90","","90","","90","","3649.6","0.6","150","","150","","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C9 H14 Cl3 N6 O P S3 -","- C9 H12 Cl3 N6 O P S3 -","- C72 H96 Cl24 N48 O8 P8 S24 -","8","1","","Zablocka, Maria; Oshovsky, Gennady; Duhayon, Carine; Ladeira, Sonia; Caminade, Anne-Marie; Mignani, Serge; Majoral, Jean-Pierre","Thiazoyl phosphines. Design, reactivity, and complexation.","Dalton transactions (Cambridge, England : 2003)","2016","45","23","9695","9703","10.1039/c6dt01106c","","","0.7107","MoKα","","0.0951","0.0583","","0.0933","0.0697","0.0697","","","","","","1.1163","","","","has coordinates","185511","2020-10-21","18:00:00",""
"7039263","8.7642","0.0009","10.8437","0.0011","12.1558","0.0012","94.396","0.005","106.808","0.005","109.396","0.005","1023.87","0.19","180","2","180","2","","","","","","","synthesis as described","6","P -1","-P 1","2","","","","- C21 H23 N2 O2 P S -","- C21 H23 N2 O2 P S -","- C42 H46 N4 O4 P2 S2 -","2","1","","Zablocka, Maria; Oshovsky, Gennady; Duhayon, Carine; Ladeira, Sonia; Caminade, Anne-Marie; Mignani, Serge; Majoral, Jean-Pierre","Thiazoyl phosphines. Design, reactivity, and complexation.","Dalton transactions (Cambridge, England : 2003)","2016","45","23","9695","9703","10.1039/c6dt01106c","","x-ray","0.71073","MoKα","","0.0346","0.0324","","","0.0813","0.0832","","","","","","1.046","","","","has coordinates","185511","2020-10-21","18:00:00",""
"7039264","10.3954","0.0008","18.9943","0.0019","8.6719","0.0006","90","","91.398","0.009","90","","1711.8","0.2","180","","180","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C17 H17 N4 P S -","- C17 H17 N4 P S -","- C68 H68 N16 P4 S4 -","4","1","","Zablocka, Maria; Oshovsky, Gennady; Duhayon, Carine; Ladeira, Sonia; Caminade, Anne-Marie; Mignani, Serge; Majoral, Jean-Pierre","Thiazoyl phosphines. Design, reactivity, and complexation.","Dalton transactions (Cambridge, England : 2003)","2016","45","23","9695","9703","10.1039/c6dt01106c","","","0.71073","MoKα","","0.1131","0.0811","","0.0784","0.0693","0.072","","","","","","0.9735","","","","has coordinates","185511","2020-10-21","18:00:00",""
"7039265","13.2093","0.0012","12.8509","0.0012","19.0029","0.0014","90","","126.095","0.005","90","","2606.6","0.4","180","2","180","2","","","","","","","synthesis as described","6","P 1 21/c 1","-P 2ybc","14","","","","- C27 H23 N3 O3 P2 S -","- C27 H23 N3 O3 P2 S -","- C108 H92 N12 O12 P8 S4 -","4","1","","Zablocka, Maria; Oshovsky, Gennady; Duhayon, Carine; Ladeira, Sonia; Caminade, Anne-Marie; Mignani, Serge; Majoral, Jean-Pierre","Thiazoyl phosphines. Design, reactivity, and complexation.","Dalton transactions (Cambridge, England : 2003)","2016","45","23","9695","9703","10.1039/c6dt01106c","","x-ray","0.71073","MoKα","","0.0372","0.032","","","0.0865","0.0907","","","","","","1.068","","","","has coordinates,has disorder","185511","2020-10-21","18:00:00",""
"7039266","8.0266","0.0007","11.3613","0.0009","17.8128","0.0013","90","","93.91","0.009","90","","1620.6","0.2","150","","150","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C15 H13 Au Cl N2 P S -","- C15 H13 Au Cl N2 P S -","- C60 H52 Au4 Cl4 N8 P4 S4 -","4","1","","Zablocka, Maria; Oshovsky, Gennady; Duhayon, Carine; Ladeira, Sonia; Caminade, Anne-Marie; Mignani, Serge; Majoral, Jean-Pierre","Thiazoyl phosphines. Design, reactivity, and complexation.","Dalton transactions (Cambridge, England : 2003)","2016","45","23","9695","9703","10.1039/c6dt01106c","","","0.71073","MoKα","","0.0438","0.0332","","0.0395","0.0359","0.0341","","","","","","1.0922","","","","has coordinates","185511","2020-10-21","18:00:00",""
"7039267","11.2861","0.001","13.7824","0.0013","20.175","0.002","82.053","0.012","82.884","0.012","88.274","0.011","3083.9","0.5","180","","180","","","","","","","","","7","P -1","-P 1","2","","","","- C27 H27 Au Cl N18 P3 S9 -","- C27 H27 Au Cl N18 P3 S9 -","- C54 H54 Au2 Cl2 N36 P6 S18 -","2","1","","Zablocka, Maria; Oshovsky, Gennady; Duhayon, Carine; Ladeira, Sonia; Caminade, Anne-Marie; Mignani, Serge; Majoral, Jean-Pierre","Thiazoyl phosphines. Design, reactivity, and complexation.","Dalton transactions (Cambridge, England : 2003)","2016","45","23","9695","9703","10.1039/c6dt01106c","","","0.71073","MoKα","","0.0372","0.0315","","0.0356","0.0349","0.0344","","","","","","1.1144","","","","has coordinates","185511","2020-10-21","18:00:00",""
"7039268","9.1492","0.0003","11.6047","0.0004","13.4675","0.0005","65.995","0.001","80.811","0.001","73.753","0.001","1252.34","0.08","180","2","180","2","","","","","","","synthesis as described","6","P -1","-P 1","2","","","","- C26 H22 N4 O3 P2 S -","- C26 H22 N4 O3 P2 S -","- C52 H44 N8 O6 P4 S2 -","2","1","","Zablocka, Maria; Oshovsky, Gennady; Duhayon, Carine; Ladeira, Sonia; Caminade, Anne-Marie; Mignani, Serge; Majoral, Jean-Pierre","Thiazoyl phosphines. Design, reactivity, and complexation.","Dalton transactions (Cambridge, England : 2003)","2016","45","23","9695","9703","10.1039/c6dt01106c","","x-ray","0.71073","MoKα","","0.0356","0.0304","","","0.083","0.0873","","","","","","1.045","","","","has coordinates","185511","2020-10-21","18:00:00",""
"7039269","9.1746","0.0002","14.7815","0.0003","13.3902","0.0003","90","","98.738","0.002","90","","1794.83","0.07","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C26 H56 Cl2 N4 O4 U -","- C26 H56 Cl2 N4 O4 U -","- C52 H112 Cl4 N8 O8 U2 -","2","0.5","","Vats, Bal Govind; Das, Debasish; Sadhu, Biswajit; Kannan, S.; Pius, I. C.; Noronha, D. M.; Sundararajan, Mahesh; Kumar, Mukesh","Selective recognition of uranyl ions from bulk of thorium(iv) and lanthanide(iii) ions by tetraalkyl urea: a combined experimental and quantum chemical study.","Dalton transactions (Cambridge, England : 2003)","2016","45","25","10319","10325","10.1039/c6dt01191h","","","1.54184","CuKα","","0.0791","0.0567","","","0.1491","0.1655","","","","","","1.065","","","","has coordinates","185362","2020-10-21","18:00:00",""
"7039270","9.4988","0.0007","10.8674","0.0009","18.8816","0.0012","88.045","0.006","79.572","0.006","76.641","0.007","1865","0.2","293","","293","","","","","","","","","5","P -1","-P 1","2","","","","- C26 H56 N6 O10 U -","- C26 H56 N6 O10 U -","- C52 H112 N12 O20 U2 -","2","1","","Vats, Bal Govind; Das, Debasish; Sadhu, Biswajit; Kannan, S.; Pius, I. C.; Noronha, D. M.; Sundararajan, Mahesh; Kumar, Mukesh","Selective recognition of uranyl ions from bulk of thorium(iv) and lanthanide(iii) ions by tetraalkyl urea: a combined experimental and quantum chemical study.","Dalton transactions (Cambridge, England : 2003)","2016","45","25","10319","10325","10.1039/c6dt01191h","","","1.54184","CuKα","","0.155","0.0785","","","0.1755","0.2229","","","","","","1.078","","","","has coordinates","185362","2020-10-21","18:00:00",""
"7039271","8.9803","0.0004","13.5484","0.0004","15.0855","0.0005","90","","99.086","0.004","90","","1812.4","0.12","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C26 H56 Br2 N4 O4 U -","- C26 H56 Br2 N4 O4 U -","- C52 H112 Br4 N8 O8 U2 -","2","0.5","","Vats, Bal Govind; Das, Debasish; Sadhu, Biswajit; Kannan, S.; Pius, I. C.; Noronha, D. M.; Sundararajan, Mahesh; Kumar, Mukesh","Selective recognition of uranyl ions from bulk of thorium(iv) and lanthanide(iii) ions by tetraalkyl urea: a combined experimental and quantum chemical study.","Dalton transactions (Cambridge, England : 2003)","2016","45","25","10319","10325","10.1039/c6dt01191h","","","1.54184","CuKα","","0.0737","0.0487","","","0.1185","0.1347","","","","","","1.04","","","","has coordinates","185362","2020-10-21","18:00:00",""
"7039272","7.918","0.0011","14.3359","0.0019","16.3209","0.0017","68.639","0.004","76.902","0.005","85.068","0.005","1680.4","0.4","97","","97","","","","","","","","","5","P -1","-P 1","2","","1_Gd","","- C37 H50 Gd N3 O4 -","- C37 H50 Gd N3 O4 -","- C74 H100 Gd2 N6 O8 -","2","1","","Nakai, Hidetaka; Kitagawa, Kazuhiro; Seo, Juncheol; Matsumoto, Takahiro; Ogo, Seiji","A gadolinium(iii) complex that shows room-temperature phosphorescence in the crystalline state.","Dalton transactions (Cambridge, England : 2003)","2016","45","29","11620","11623","10.1039/c6dt01303a","","","0.71075","MoKα","","0.031","0.0274","","","0.056","0.0578","","","","","","1.061","","","","has coordinates","185487","2020-10-21","18:00:00",""
"7039273","7.056","0.003","7.075","0.003","8.029","0.003","102.381","0.005","95.387","0.006","90.552","0.006","389.6","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- Eu2 H4 Na2 O18 Si6 -","- Eu2 H4 Na2 O18 Si6 -","- Eu2 H4 Na2 O18 Si6 -","1","0.5","","Liu, Wei; Ji, Ying; Wang, Ying; Sun, Qiushi; Zhao, Xudong; Liu, Xiaoyang; Jia, Xiaopeng","Synthesis, crystal structure, and luminescence properties of a new europium silicate.","Dalton transactions (Cambridge, England : 2003)","2016","45","23","9631","9635","10.1039/c6dt01174h","","","0.71073","MoKα","","0.0508","0.0504","","","0.1175","0.1177","","","","","","1.158","","","","has coordinates","185517","2020-10-21","18:00:00",""
"7039274","13.45653","0.00019","14.75424","0.00018","16.285","0.0003","90","","91.4469","0.0014","90","","3232.21","0.08","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C24 H26 Br2 N5 O12 Pr Zn -","- C24 H26 Br2 N5 O12 Pr Zn -","- C96 H104 Br8 N20 O48 Pr4 Zn4 -","4","1","","Oyarzabal, Itziar; Artetxe, Beñat; Rodríguez-Diéguez, Antonio; García, JoséÁngel; Seco, José Manuel; Colacio, Enrique","A family of acetato-diphenoxo triply bridged dimetallic Zn(II)Ln(III) complexes: SMM behavior and luminescent properties.","Dalton transactions (Cambridge, England : 2003)","2016","45","23","9712","9726","10.1039/c6dt01327a","","","0.71073","MoKα","","0.0484","0.0343","","","0.0642","0.0697","","","","","","1.013","","","","has coordinates","185512","2020-10-21","18:00:00",""
"7039275","13.4135","0.0002","14.7713","0.0002","16.193","0.0002","90","","91.23","0.001","90","","3207.66","0.08","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C24 H26 Br2 N5 Nd O12 Zn -","- C24 H26 Br2 N5 Nd O12 Zn -","- C96 H104 Br8 N20 Nd4 O48 Zn4 -","4","1","","Oyarzabal, Itziar; Artetxe, Beñat; Rodríguez-Diéguez, Antonio; García, JoséÁngel; Seco, José Manuel; Colacio, Enrique","A family of acetato-diphenoxo triply bridged dimetallic Zn(II)Ln(III) complexes: SMM behavior and luminescent properties.","Dalton transactions (Cambridge, England : 2003)","2016","45","23","9712","9726","10.1039/c6dt01327a","","","0.71073","MoKα","","0.0301","0.0248","","","0.0654","0.068","","","","","","1.126","","","","has coordinates","185512","2020-10-21","18:00:00",""
"7039276","13.5257","0.0002","14.9372","0.0002","15.8049","0.0002","90","","90.109","0.002","90","","3193.15","0.08","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C24 H26 Br2 Eu N5 O12 Zn -","- C24 H26 Br2 Eu N5 O12 Zn -","- C96 H104 Br8 Eu4 N20 O48 Zn4 -","4","1","","Oyarzabal, Itziar; Artetxe, Beñat; Rodríguez-Diéguez, Antonio; García, JoséÁngel; Seco, José Manuel; Colacio, Enrique","A family of acetato-diphenoxo triply bridged dimetallic Zn(II)Ln(III) complexes: SMM behavior and luminescent properties.","Dalton transactions (Cambridge, England : 2003)","2016","45","23","9712","9726","10.1039/c6dt01327a","","","1.54184","CuKα","","0.0302","0.0288","","","0.0805","0.0818","","","","","","1.036","","","","has coordinates","185512","2020-10-21","18:00:00",""
"7039277","13.4496","0.0005","14.7776","0.0005","16.0073","0.0006","90","","91.051","0.003","90","","3181","0.2","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C24 H26 Br2 Gd N5 O12 Zn -","- C24 H26 Br2 Gd N5 O12 Zn -","- C96 H104 Br8 Gd4 N20 O48 Zn4 -","4","1","","Oyarzabal, Itziar; Artetxe, Beñat; Rodríguez-Diéguez, Antonio; García, JoséÁngel; Seco, José Manuel; Colacio, Enrique","A family of acetato-diphenoxo triply bridged dimetallic Zn(II)Ln(III) complexes: SMM behavior and luminescent properties.","Dalton transactions (Cambridge, England : 2003)","2016","45","23","9712","9726","10.1039/c6dt01327a","","","0.71069","MoKα","","0.0492","0.0375","","","0.093","0.0989","","","","","","1.076","","","","has coordinates","185512","2020-10-21","18:00:00",""
"7039278","13.5017","0.0006","14.7618","0.0004","15.9579","0.0006","90","","91.315","0.004","90","","3179.7","0.2","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C24 H26 Br2 N5 O12 Tb Zn -","- C24 H26 Br2 N5 O12 Tb Zn -","- C96 H104 Br8 N20 O48 Tb4 Zn4 -","4","1","","Oyarzabal, Itziar; Artetxe, Beñat; Rodríguez-Diéguez, Antonio; García, JoséÁngel; Seco, José Manuel; Colacio, Enrique","A family of acetato-diphenoxo triply bridged dimetallic Zn(II)Ln(III) complexes: SMM behavior and luminescent properties.","Dalton transactions (Cambridge, England : 2003)","2016","45","23","9712","9726","10.1039/c6dt01327a","","","0.71073","MoKα","","0.0529","0.0368","","","0.0807","0.0875","","","","","","1.064","","","","has coordinates","185512","2020-10-21","18:00:00",""
"7039279","13.5589","0.0012","14.8592","0.0011","15.835","0.0012","90","","90.618","0.003","90","","3190.2","0.4","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C24 H26 Br2 Dy N5 O12 Zn -","- C24 H26 Br2 Dy N5 O12 Zn -","- C96 H104 Br8 Dy4 N20 O48 Zn4 -","4","1","","Oyarzabal, Itziar; Artetxe, Beñat; Rodríguez-Diéguez, Antonio; García, JoséÁngel; Seco, José Manuel; Colacio, Enrique","A family of acetato-diphenoxo triply bridged dimetallic Zn(II)Ln(III) complexes: SMM behavior and luminescent properties.","Dalton transactions (Cambridge, England : 2003)","2016","45","23","9712","9726","10.1039/c6dt01327a","","","0.71069","MoKα","","0.0363","0.0289","","","0.075","0.0786","","","","","","1.08","","","","has coordinates","185512","2020-10-21","18:00:00",""
"7039280","13.5236","0.0002","14.7278","0.0017","15.9106","0.0002","90","","91.294","0.002","90","","3168.2","0.4","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C24 H26 Br2 Er N5 O12 Zn -","- C24 H26 Br2 Er N5 O12 Zn -","- C96 H104 Br8 Er4 N20 O48 Zn4 -","4","1","","Oyarzabal, Itziar; Artetxe, Beñat; Rodríguez-Diéguez, Antonio; García, JoséÁngel; Seco, José Manuel; Colacio, Enrique","A family of acetato-diphenoxo triply bridged dimetallic Zn(II)Ln(III) complexes: SMM behavior and luminescent properties.","Dalton transactions (Cambridge, England : 2003)","2016","45","23","9712","9726","10.1039/c6dt01327a","","","0.71069","MoKα","","0.0295","0.0242","","","0.0583","0.0611","","","","","","1.065","","","","has coordinates","185512","2020-10-21","18:00:00",""
"7039281","13.5836","0.0006","14.8415","0.0005","15.682","0.0006","90","","90.237","0.003","90","","3161.5","0.2","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C24 H26 Br2 N5 O12 Tm Zn -","- C24 H26 Br2 N5 O12 Tm Zn -","- C96 H104 Br8 N20 O48 Tm4 Zn4 -","4","1","","Oyarzabal, Itziar; Artetxe, Beñat; Rodríguez-Diéguez, Antonio; García, JoséÁngel; Seco, José Manuel; Colacio, Enrique","A family of acetato-diphenoxo triply bridged dimetallic Zn(II)Ln(III) complexes: SMM behavior and luminescent properties.","Dalton transactions (Cambridge, England : 2003)","2016","45","23","9712","9726","10.1039/c6dt01327a","","","0.71073","MoKα","","0.0288","0.0237","","","0.0489","0.0505","","","","","","1.038","","","","has coordinates","185512","2020-10-21","18:00:00",""
"7039282","13.5447","0.001","14.8034","0.0012","15.7092","0.0011","90","","90.532","0.001","90","","3149.7","0.4","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C24 H26 Br2 N5 O12 Yb Zn -","- C24 H26 Br2 N5 O12 Yb Zn -","- C96 H104 Br8 N20 O48 Yb4 Zn4 -","4","1","","Oyarzabal, Itziar; Artetxe, Beñat; Rodríguez-Diéguez, Antonio; García, JoséÁngel; Seco, José Manuel; Colacio, Enrique","A family of acetato-diphenoxo triply bridged dimetallic Zn(II)Ln(III) complexes: SMM behavior and luminescent properties.","Dalton transactions (Cambridge, England : 2003)","2016","45","23","9712","9726","10.1039/c6dt01327a","","","1.5418","CuKα","","0.0261","0.0246","","","0.0627","0.0636","","","","","","1.088","","","","has coordinates","185512","2020-10-21","18:00:00",""
"7039283","6.4754","0.0014","7.0391","0.0015","7.6797","0.0016","65.235","0.006","67.183","0.007","84.974","0.007","291.81","0.11","295","","295","","","","","","","","","5","P -1","-P 1","2","","bis-d12-dimethyldithiocarbamate palldium(II)","","- C6 D12 N2 Pd S4 -","- C6 D12 N2 Pd S4 -","- C6 D12 N2 Pd S4 -","1","0.5","","Poirier, Stéphanie; Tailleur, Elodie; Lynn, Hudson; Reber, Christian","Characterization of PdH-C interactions in bis-dimethyldithiocarbamate palladium(ii) and its deuterated analog by luminescence spectroscopy at variable pressure.","Dalton transactions (Cambridge, England : 2003)","2016","45","27","10883","10886","10.1039/c6dt01574c","","x-ray","1.34139","GaKα","","0.0523","0.0523","","","0.1189","0.119","","","","","","1.264","","","","has coordinates","185404","2020-10-21","18:00:00",""
"7039284","6.482","0.002","7.034","0.002","7.68","0.002","65.47","0.02","66.92","0.02","84.65","0.02","292.05","0.16","295","","295","","","","","","","","","5","P -1","-P 1","2","","bis-dimethyldithiocarbamate palldium(II)","","- C6 H12 N2 Pd S4 -","- C6 H12 N2 Pd S4 -","- C6 H12 N2 Pd S4 -","1","0.5","","Poirier, Stéphanie; Tailleur, Elodie; Lynn, Hudson; Reber, Christian","Characterization of PdH-C interactions in bis-dimethyldithiocarbamate palladium(ii) and its deuterated analog by luminescence spectroscopy at variable pressure.","Dalton transactions (Cambridge, England : 2003)","2016","45","27","10883","10886","10.1039/c6dt01574c","","x-ray","1.34139","GaKα","","0.0343","0.028","","","0.0652","0.0681","","","","","","1.027","","","","has coordinates","185404","2020-10-21","18:00:00",""
"7039285","15.282","0.002","12.8506","0.0011","15.2433","0.0017","90","","91.425","0.013","90","","2992.6","0.6","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C26 H24 Cl4 Fe2 N6 O2 -","- C26 H24 Cl4 Fe2 N6 O2 -","- C104 H96 Cl16 Fe8 N24 O8 -","4","1","","Yang, Yongpo; Lu, Chunxin; Wang, Hailong; Liu, Xiaoming","Amide bond cleavage initiated by coordination with transition metal ions and tuned by an auxiliary ligand.","Dalton transactions (Cambridge, England : 2003)","2016","45","25","10289","10296","10.1039/c6dt01411a","","","0.71073","MoKα","","0.0866","0.0557","","","0.1325","0.1475","","","","","","1.072","","","","has coordinates","185358","2020-10-21","18:00:00",""
"7039286","6.8996","0.0003","18.4289","0.0006","13.683","0.0004","90","","94.233","0.003","90","","1735.08","0.11","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C14 H15 I2 N3 O Pt -","- C14 H15 I2 N3 O Pt -","- C56 H60 I8 N12 O4 Pt4 -","4","1","","Yang, Yongpo; Lu, Chunxin; Wang, Hailong; Liu, Xiaoming","Amide bond cleavage initiated by coordination with transition metal ions and tuned by an auxiliary ligand.","Dalton transactions (Cambridge, England : 2003)","2016","45","25","10289","10296","10.1039/c6dt01411a","","","0.71073","MoKα","","0.0337","0.0283","","","0.0572","0.0602","","","","","","1.053","","","","has coordinates","185358","2020-10-21","18:00:00",""
"7039287","8.3006","0.0009","31.46","0.002","8.499","0.0009","90","","118.64","0.014","90","","1947.9","0.4","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C14 H16 Cl2 Cu N4 O8 -","- C14 H16 Cl2 Cu N4 O8 -","- C56 H64 Cl8 Cu4 N16 O32 -","4","1","","Yang, Yongpo; Lu, Chunxin; Wang, Hailong; Liu, Xiaoming","Amide bond cleavage initiated by coordination with transition metal ions and tuned by an auxiliary ligand.","Dalton transactions (Cambridge, England : 2003)","2016","45","25","10289","10296","10.1039/c6dt01411a","","","0.71","MoKα","","0.0906","0.0754","","","0.1785","0.1885","","","","","","1.136","","","","has coordinates","185358","2020-10-21","18:00:00",""
"7039288","12.1416","0.0015","21.238","0.002","10.701","0.0011","90","","93.26","0.004","90","","2754.9","0.5","100","2","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C34 H27 Al N2 O4 -","- C34 H27 Al N2 O4 -","- C136 H108 Al4 N8 O16 -","4","1","","Sumrit, Pattarawut; Chuawong, Pitak; Nanok, Tanin; Duangthongyou, Tanwawan; Hormnirun, Pimpa","Aluminum complexes containing salicylbenzoxazole ligands and their application in the ring-opening polymerization of rac-lactide and ε-caprolactone.","Dalton transactions (Cambridge, England : 2003)","2016","45","22","9250","9266","10.1039/c6dt00990e","","x-ray","0.71073","MoKα","","0.0577","0.0425","","","0.1081","0.1167","","","","","","1.037","","","","has coordinates,has disorder","185305","2020-10-21","18:00:00",""
"7039289","26.3261","0.0013","10.5969","0.0004","26.0751","0.0011","90","","105.305","0.002","90","","7016.3","0.5","100","2","100","","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C19 H22 Al N O2 -","- C19 H22 Al N O2 -","- C304 H352 Al16 N16 O32 -","16","4","","Sumrit, Pattarawut; Chuawong, Pitak; Nanok, Tanin; Duangthongyou, Tanwawan; Hormnirun, Pimpa","Aluminum complexes containing salicylbenzoxazole ligands and their application in the ring-opening polymerization of rac-lactide and ε-caprolactone.","Dalton transactions (Cambridge, England : 2003)","2016","45","22","9250","9266","10.1039/c6dt00990e","","","0.71073","MoKα","","0.097","0.0512","","","0.1201","0.1431","","","","","","1.031","","","","has coordinates","185305","2020-10-21","18:00:00",""
"7039290","13.2902","0.0003","7.4513","0.00017","31.532","0.0007","90","","93.04","0.002","90","","3118.2","0.12","100.01","0.1","100.01","0.1","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C10 H14 Cl6 N2 Pt -","- C10 H14 Cl6 N2 Pt -","- C80 H112 Cl48 N16 Pt8 -","8","1","","Karmakar, Subhendu; Chatterjee, Saptarshi; Purkait, Kallol; Mukherjee, Arindam","Anticancer activity of a chelating nitrogen mustard bearing tetrachloridoplatinum(iv) complex: better stability yet equipotent to the Pt(ii) analogue.","Dalton transactions (Cambridge, England : 2003)","2016","45","29","11710","11722","10.1039/c6dt00831c","","x-ray","0.71073","MoKα","","0.022","0.0197","","","0.0471","0.049","","","","","","1.066","","","","has coordinates","185486","2020-10-21","18:00:00",""
"7039291","13.896","0.005","13.896","0.005","9.687","0.006","90","","90","","120","","1619.9","1.3","293","2","293","2","","","","","","","","5","P 63 2 2","P 6c 2c","182","(K3I)In4(B12Se12)","","","- B12 I In4 K3 Se12 -","- B12 I0.9996 In4 K3 Se12 -","- B24 I1.9992 In8 K6 Se24 -","2","0.166667","","Guo, Sheng-Ping; Chi, Yang; Liu, Bin-Wen; Guo, Guo-Cong","Synthesis, crystal structure and second-order nonlinear optical property of a novel pentanary selenide (K3I)[InB12(InSe4)3].","Dalton transactions (Cambridge, England : 2003)","2016","45","25","10459","10465","10.1039/c6dt01602b","","","0.71073","MoKα","","0.0732","0.0668","","","0.1841","0.1903","","","","","","0.977","","","","has coordinates","185366","2020-10-21","18:00:00",""
"7039292","13.4859","0.001","20.6897","0.0015","20.2255","0.0015","90","","109.144","0.001","90","","5331.2","0.7","296","2","296.15","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C112 H150 K4 N4 O15 -","- C112 H150 K4 N4 O15 -","- C224 H300 K8 N8 O30 -","2","1","","Li, Yingguo; Zhao, Hongwei; Mao, Xiaoyang; Pan, Xiaobo; Wu, Jincai","Structures of potassium calix[4]arene crown ether inclusion complexes and application in polymerization of rac-lactide.","Dalton transactions (Cambridge, England : 2003)","2016","45","23","9636","9645","10.1039/c6dt01417h","","","0.71073","MoKα","","0.0912","0.0602","","","0.1203","0.1327","","","","","","0.912","","","","has coordinates,has disorder","185516","2020-10-21","18:00:00",""
"7039293","16.3022","0.0003","29.2158","0.0005","15.5007","0.0003","90","","94.8725","0.0019","90","","7356","0.2","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C76 H117 K O13 -","- C76 H117 K O13 -","- C304 H468 K4 O52 -","4","1","","Li, Yingguo; Zhao, Hongwei; Mao, Xiaoyang; Pan, Xiaobo; Wu, Jincai","Structures of potassium calix[4]arene crown ether inclusion complexes and application in polymerization of rac-lactide.","Dalton transactions (Cambridge, England : 2003)","2016","45","23","9636","9645","10.1039/c6dt01417h","","","1.54184","CuKα","","0.09","0.0675","","","0.187","0.2141","","","","","","1.025","","","","has coordinates,has disorder","185516","2020-10-21","18:00:00",""
"7039294","11.1093","0.0003","26.4085","0.0009","20.46","0.0007","90","","92.614","0.003","90","","5996.3","0.3","173","0.1","173","0.1","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C31 H45 K O5 -","- C31 H45 K O5 -","- C248 H360 K8 O40 -","8","1","","Li, Yingguo; Zhao, Hongwei; Mao, Xiaoyang; Pan, Xiaobo; Wu, Jincai","Structures of potassium calix[4]arene crown ether inclusion complexes and application in polymerization of rac-lactide.","Dalton transactions (Cambridge, England : 2003)","2016","45","23","9636","9645","10.1039/c6dt01417h","","","0.71073","MoKα","","0.0708","0.0497","","","0.1022","0.1156","","","","","","1","","","","has coordinates,has disorder","185516","2020-10-21","18:00:00",""
"7039295","12.2579","0.0005","17.9504","0.0009","21.1486","0.0006","90","","90","","90","","4653.4","0.3","220.6","0.1","220.6","0.1","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C50 H66 K2 O4 -","- C50 H66 K2 O4 -","- C200 H264 K8 O16 -","4","0.5","","Li, Yingguo; Zhao, Hongwei; Mao, Xiaoyang; Pan, Xiaobo; Wu, Jincai","Structures of potassium calix[4]arene crown ether inclusion complexes and application in polymerization of rac-lactide.","Dalton transactions (Cambridge, England : 2003)","2016","45","23","9636","9645","10.1039/c6dt01417h","","x-ray","0.71","MoKα","","0.1483","0.0856","","","0.2037","0.2526","","","","","","1.064","","","","has coordinates,has disorder","185516","2020-10-21","18:00:00",""
"7039296","19.2672","0.0004","20.5759","0.0005","17.2453","0.0004","90","","90","","90","","6836.7","0.3","100","2","100","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C44 H56 Co2 F24 O29 Ti4 -","- C44 H56 Co2 F24 O29 Ti4 -","- C176 H224 Co8 F96 O116 Ti16 -","4","1","","Ehsan, Muhammad Ali; Naeem, Rabia; Khaledi, Hamid; Sohail, Manzar; Hakeem Saeed, Abbas; Mazhar, Muhammad","Fabrication of CoTiO3-TiO2 composite films from a heterobimetallic single source precursor for electrochemical sensing of dopamine.","Dalton transactions (Cambridge, England : 2003)","2016","45","25","10222","10232","10.1039/c6dt01016d","","","0.71073","MoKα","","0.1176","0.0858","","","0.2091","0.2365","","","","","","1.035","","","","has coordinates,has disorder","185368","2020-10-21","18:00:00",""
"7039297","8.3346","0.0002","8.3346","0.0002","3.2941","0.0001","90","","90","","120","","198.17","0.009","295","","295","","","","","","","","","3","P 6/m m m","-P 6 2","191","","","","- B8 Fe3 Nb7 -","- B8 Fe3 Nb7 -","- B8 Fe3 Nb7 -","1","0.0416667","","Zheng, Qiang; Gumeniuk, Roman; Borrmann, Horst; Schnelle, Walter; Tsirlin, Alexander A.; Rosner, Helge; Burkhardt, Ulrich; Reissner, Michael; Grin, Yuri; Leithe-Jasper, Andreas","Ternary borides Nb7Fe3B8 and Ta7Fe3B8 with Kagome-type iron framework.","Dalton transactions (Cambridge, England : 2003)","2016","45","23","9590","9600","10.1039/c6dt01164k","","","0.71073","MoKα","","","0.047","","","","0.053","","","","","","1.01","","","","has coordinates","185521","2020-10-21","18:00:00",""
"7039298","8.2788","0.0003","8.2788","0.0003","3.2934","0.0003","90","","90","","120","","195.48","0.02","295","","295","","","","","","","","","3","P 6/m m m","-P 6 2","191","","","","- B8 Fe3 Ta7 -","- B8 Fe3 Ta7 -","- B8 Fe3 Ta7 -","1","0.0416667","","Zheng, Qiang; Gumeniuk, Roman; Borrmann, Horst; Schnelle, Walter; Tsirlin, Alexander A.; Rosner, Helge; Burkhardt, Ulrich; Reissner, Michael; Grin, Yuri; Leithe-Jasper, Andreas","Ternary borides Nb7Fe3B8 and Ta7Fe3B8 with Kagome-type iron framework.","Dalton transactions (Cambridge, England : 2003)","2016","45","23","9590","9600","10.1039/c6dt01164k","","","0.71073","MoKα","","","0.017","","","","0.017","","","","","","1.04","","","","has coordinates","185521","2020-10-21","18:00:00",""
"7039299","15.1215","0.0011","9.6375","0.0007","26.4463","0.0018","90","","97.815","0.002","90","","3818.3","0.5","185","2","185","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C48 H42 N2 O2 Zr -","- C48 H42 N2 O2 Zr -","- C192 H168 N8 O8 Zr4 -","4","1","","Wang, Kai-Ti; Wang, Yong-Xia; Wang, Bin; Li, Yan-Guo; Li, Yue-Sheng","Novel zirconium complexes with constrained cyclic β-enaminoketonato ligands: improved catalytic capability toward ethylene polymerization.","Dalton transactions (Cambridge, England : 2003)","2016","45","25","10308","10318","10.1039/c6dt01391k","","","0.71073","MoKα","","0.1115","0.0526","","","0.0945","0.1171","","","","","","0.965","","","","has coordinates","185357","2020-10-21","18:00:00",""
"7039300","11.259","0.001","24.229","0.002","17.8544","0.0015","90","","91.37","0.002","90","","4869.2","0.7","185","2","185","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C60 H50 N2 O2 Zr -","- C60 H50 N2 O2 Zr -","- C240 H200 N8 O8 Zr4 -","4","1","","Wang, Kai-Ti; Wang, Yong-Xia; Wang, Bin; Li, Yan-Guo; Li, Yue-Sheng","Novel zirconium complexes with constrained cyclic β-enaminoketonato ligands: improved catalytic capability toward ethylene polymerization.","Dalton transactions (Cambridge, England : 2003)","2016","45","25","10308","10318","10.1039/c6dt01391k","","","0.71073","MoKα","","0.1189","0.0711","","","0.1215","0.1363","","","","","","1.01","","","","has coordinates","185357","2020-10-21","18:00:00",""
"7039301","22.6289","0.0019","15.0048","0.0013","18.0332","0.0016","90","","101.611","0.002","90","","5997.7","0.9","185","2","185","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C62 H54 N2 O2 Zr -","- C62 H54 N2 O2 Zr -","- C248 H216 N8 O8 Zr4 -","4","1","","Wang, Kai-Ti; Wang, Yong-Xia; Wang, Bin; Li, Yan-Guo; Li, Yue-Sheng","Novel zirconium complexes with constrained cyclic β-enaminoketonato ligands: improved catalytic capability toward ethylene polymerization.","Dalton transactions (Cambridge, England : 2003)","2016","45","25","10308","10318","10.1039/c6dt01391k","","","0.71073","MoKα","","0.1065","0.0657","","","0.1446","0.1575","","","","","","0.932","","","","has coordinates","185357","2020-10-21","18:00:00",""
"7039302","17.8992","0.0011","19.331","0.0012","20.5734","0.0013","97.533","0.001","94.419","0.001","116.137","0.001","6262.4","0.7","185","2","185","2","","","","","","","","5","P -1","-P 1","2","","","","- C60 H50 Hf N2 O2 -","- C60 H50 Hf N2 O2 -","- C240 H200 Hf4 N8 O8 -","4","2","","Wang, Kai-Ti; Wang, Yong-Xia; Wang, Bin; Li, Yan-Guo; Li, Yue-Sheng","Novel zirconium complexes with constrained cyclic β-enaminoketonato ligands: improved catalytic capability toward ethylene polymerization.","Dalton transactions (Cambridge, England : 2003)","2016","45","25","10308","10318","10.1039/c6dt01391k","","","0.71073","MoKα","","0.0711","0.0518","","","0.1422","0.1579","","","","","","1.028","","","","has coordinates","185357","2020-10-21","18:00:00",""
"7039303","14.8119","0.0007","15.4709","0.0007","18.0346","0.0008","70.905","0.001","68.986","0.001","82.58","0.001","3645.2","0.3","186","2","186","2","","","","","","","","5","P -1","-P 1","2","","","","- C118 H150 Dy8 N26 O48 -","- C118 H142 Dy8 N26 O48 -","- C118 H142 Dy8 N26 O48 -","1","0.5","","Zhang, Li; Zhang, Peng; Zhao, Lang; Wu, Jianfeng; Guo, Mei; Tang, Jinkui","Single-molecule magnet behavior in an octanuclear dysprosium(iii) aggregate inherited from helical triangular Dy3 SMM-building blocks.","Dalton transactions (Cambridge, England : 2003)","2016","45","26","10556","10562","10.1039/c6dt01718e","","","0.71073","MoKα","","0.0566","0.0424","","","0.1097","0.1263","","","","","","1.068","","","","has coordinates","185339","2020-10-21","18:00:00",""
"7039304","22.283","0.004","12.976","0.002","22.649","0.004","90","","102.976","0.004","90","","6381.6","1.9","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C66 H68 Cl4 N16 O8 Ru2 -","- C66 H68 Cl4 N16 O8 Ru2 -","- C264 H272 Cl16 N64 O32 Ru8 -","4","0.5","","Salpage, Sahan R.; Paul, Avishek; Som, Bozumeh; Banerjee, Tanmay; Hanson, Kenneth; Smith, Mark D.; Vannucci, Aaron K.; Shimizu, Linda S.","Structural, electrochemical and photophysical properties of an exocyclic di-ruthenium complex and its application as a photosensitizer.","Dalton transactions (Cambridge, England : 2003)","2016","45","23","9601","9607","10.1039/c6dt01377e","","","0.71073","MoKα","","0.07","0.0472","","","0.1102","0.1182","","","","","","0.956","","","","has coordinates","185513","2020-10-21","18:00:00",""
"7039305","10.229","0.005","10.332","0.005","12.516","0.005","72.496","0.005","71.499","0.005","87.663","0.005","1194.1","1","130","2","130","2","","","","","","","","7","P -1","-P 1","2","","","","- C35 H64 Ag2 B2 Cl4 F8 P4 -","- C35 H64 Ag2 B2 Cl4 F8 P4 -","- C35 H64 Ag2 B2 Cl4 F8 P4 -","1","0.5","","Streitberger, Markus; Schmied, Andy; Hoy, Reinhard; Hey-Hawkins, Evamarie","Selective formation of silver(i) bis-phospholane macrocycles and further evidence that gold(i) is smaller than silver(i).","Dalton transactions (Cambridge, England : 2003)","2016","45","29","11644","11649","10.1039/c6dt00945j","","","0.71073","MoKα","","0.04","0.0308","","","0.0685","0.0735","","","","","","1.019","","","","has coordinates,has disorder","185476","2020-10-21","18:00:00",""
"7039306","9.017","0.005","17.562","0.005","12.399","0.005","90","0.005","97.526","0.005","90","0.005","1946.5","1.4","130","2","130","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C30 H60 Ag2 B2 F8 P4 -","- C30 H60 Ag2 B2 F8 P4 -","- C60 H120 Ag4 B4 F16 P8 -","2","0.5","","Streitberger, Markus; Schmied, Andy; Hoy, Reinhard; Hey-Hawkins, Evamarie","Selective formation of silver(i) bis-phospholane macrocycles and further evidence that gold(i) is smaller than silver(i).","Dalton transactions (Cambridge, England : 2003)","2016","45","29","11644","11649","10.1039/c6dt00945j","","","0.71073","MoKα","","0.0358","0.0282","","","0.0609","0.064","","","","","","1.068","","","","has coordinates,has disorder","185476","2020-10-21","18:00:00",""
"7039307","10.348","0.005","11.431","0.005","20.512","0.005","81.509","0.005","80.136","0.005","87.89","0.005","2364.1","1.6","130","2","130","2","","","","","","","","6","P -1","-P 1","2","","","","- C37.5 H72 Ag2 B2 F8 P4 -","- C37.5 H72 Ag2 B2 F8 P4 -","- C75 H144 Ag4 B4 F16 P8 -","2","1","","Streitberger, Markus; Schmied, Andy; Hoy, Reinhard; Hey-Hawkins, Evamarie","Selective formation of silver(i) bis-phospholane macrocycles and further evidence that gold(i) is smaller than silver(i).","Dalton transactions (Cambridge, England : 2003)","2016","45","29","11644","11649","10.1039/c6dt00945j","","","0.71073","MoKα","","0.0774","0.0559","","","0.136","0.1493","","","","","","1.054","","","","has coordinates,has disorder","185476","2020-10-21","18:00:00",""
"7039308","12.957","0.0004","18.32","0.0008","20.884","0.0007","103.656","0.003","94.894","0.003","92.006","0.003","4791.8","0.3","130","2","130","2","","","","","","","","6","P -1","-P 1","2","","","","- C38 H76 Ag2 B2 F8 P4 -","- C38 H76 Ag2 B2 F8 P4 -","- C152 H304 Ag8 B8 F32 P16 -","4","2","","Streitberger, Markus; Schmied, Andy; Hoy, Reinhard; Hey-Hawkins, Evamarie","Selective formation of silver(i) bis-phospholane macrocycles and further evidence that gold(i) is smaller than silver(i).","Dalton transactions (Cambridge, England : 2003)","2016","45","29","11644","11649","10.1039/c6dt00945j","","","0.71073","MoKα","","0.1311","0.0643","","","0.1093","0.1325","","","","","","1.007","","","","has coordinates,has disorder","185476","2020-10-21","18:00:00",""
"7039309","9.1669","0.0016","14.119","0.002","24.261","0.004","90","","90","","90","","3140","0.9","296","2","296","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C25 H27 F6 Mn N5 O6 S2 -","- C25 H27 F6 Mn N5 O6 S2 -","- C100 H108 F24 Mn4 N20 O24 S8 -","4","1","","Du, Junyi; Xu, Daqian; Zhang, Chunxi; Xia, Chungu; Wang, Yong; Sun, Wei","Synthesis, characterization, and reactivity of a side-on manganese(iii)-peroxo complex bearing a pentadentate aminopyridine ligand.","Dalton transactions (Cambridge, England : 2003)","2016","45","25","10131","10135","10.1039/c6dt00508j","","","0.71073","MoKα","","0.0578","0.0554","","","0.2052","0.2118","","","","","","1.005","","","","has coordinates","185370","2020-10-21","18:00:00",""
"7039310","16.9831","0.0016","16.383","0.0013","19.547","0.0013","90","","118.911","0.006","90","","4760.8","0.7","150","1","150","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H40 Li N4 P -","- C20 H40 Li N4 P -","- C160 H320 Li8 N32 P8 -","8","2","","Vrána, Jan; Ketkov, Sergey; Jambor, Roman; Růžička, Aleš; Lyčka, Antonín; Dostál, Libor","Germylenes and stannylenes stabilized within N2PE rings (E = Ge or Sn): combined experimental and theoretical study.","Dalton transactions (Cambridge, England : 2003)","2016","45","25","10343","10354","10.1039/c6dt01616b","","","0.71073","MoKα","","0.0918","0.0502","","","0.1066","0.1386","","","","","","1.157","","","","has coordinates","185372","2020-10-21","18:00:00",""
"7039311","18.1381","0.0019","11.645","0.0012","27.559","0.0017","90","","95.893","0.006","90","","5790.2","0.9","150","1","150","1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C56 H92 Li4 N4 O3 P2 -","- C56 H92 Li4 N4 O3 P2 -","- C224 H368 Li16 N16 O12 P8 -","4","1","","Vrána, Jan; Ketkov, Sergey; Jambor, Roman; Růžička, Aleš; Lyčka, Antonín; Dostál, Libor","Germylenes and stannylenes stabilized within N2PE rings (E = Ge or Sn): combined experimental and theoretical study.","Dalton transactions (Cambridge, England : 2003)","2016","45","25","10343","10354","10.1039/c6dt01616b","","","0.71073","MoKα","","0.1631","0.0968","","","0.1939","0.2431","","","","","","1.154","","","","has coordinates","185372","2020-10-21","18:00:00",""
"7039312","10.528","0.0004","15.674","0.0008","18.8041","0.0013","90","","106.627","0.005","90","","2973.2","0.3","150","1","150","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H48 Li N4 P -","- C28 H48 Li N4 P -","- C112 H192 Li4 N16 P4 -","4","1","","Vrána, Jan; Ketkov, Sergey; Jambor, Roman; Růžička, Aleš; Lyčka, Antonín; Dostál, Libor","Germylenes and stannylenes stabilized within N2PE rings (E = Ge or Sn): combined experimental and theoretical study.","Dalton transactions (Cambridge, England : 2003)","2016","45","25","10343","10354","10.1039/c6dt01616b","","","0.71073","MoKα","","0.0839","0.0505","","","0.1044","0.1276","","","","","","1.144","","","","has coordinates","185372","2020-10-21","18:00:00",""
"7039313","20.344","0.001","17.692","0.0015","10.6","0.0019","90","","90","","90","","3815.2","0.8","150","2","150","","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C36 H63 Li2 N2 O2 P -","- C35.814 H64 Li2 N2 O2 P -","- C143.256 H256 Li8 N8 O8 P4 -","4","0.5","","Vrána, Jan; Ketkov, Sergey; Jambor, Roman; Růžička, Aleš; Lyčka, Antonín; Dostál, Libor","Germylenes and stannylenes stabilized within N2PE rings (E = Ge or Sn): combined experimental and theoretical study.","Dalton transactions (Cambridge, England : 2003)","2016","45","25","10343","10354","10.1039/c6dt01616b","","","0.71073","MoKα","","0.083","0.0585","","","0.1434","0.1674","","","","","","1.068","","","","has coordinates,has disorder","185372","2020-10-21","18:00:00",""
"7039314","10.179","0.0004","10.6229","0.0007","11.3441","0.0005","105.523","0.005","101.831","0.004","99.773","0.004","1123.5","0.11","150","1","150","1","","","","","","","","5","P -1","-P 1","2","","","","- C22 H31 Ge N2 P -","- C22 H31 Ge N2 P -","- C44 H62 Ge2 N4 P2 -","2","1","","Vrána, Jan; Ketkov, Sergey; Jambor, Roman; Růžička, Aleš; Lyčka, Antonín; Dostál, Libor","Germylenes and stannylenes stabilized within N2PE rings (E = Ge or Sn): combined experimental and theoretical study.","Dalton transactions (Cambridge, England : 2003)","2016","45","25","10343","10354","10.1039/c6dt01616b","","","0.71073","MoKα","","0.0401","0.0318","","","0.074","0.0795","","","","","","1.104","","","","has coordinates","185372","2020-10-21","18:00:00",""
"7039315","10.759","0.0004","11.1479","0.0007","16.524","0.0005","90","","125.839","0.004","90","","1606.65","0.15","150","1","150","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H46 N4 P2 Sn2 -","- C28 H46 N4 P2 Sn2 -","- C56 H92 N8 P4 Sn4 -","2","0.5","","Vrána, Jan; Ketkov, Sergey; Jambor, Roman; Růžička, Aleš; Lyčka, Antonín; Dostál, Libor","Germylenes and stannylenes stabilized within N2PE rings (E = Ge or Sn): combined experimental and theoretical study.","Dalton transactions (Cambridge, England : 2003)","2016","45","25","10343","10354","10.1039/c6dt01616b","","","0.71073","MoKα","","0.0495","0.0289","","","0.0529","0.0628","","","","","","1.155","","","","has coordinates","185372","2020-10-21","18:00:00",""
"7039316","14.826","0.0006","10.263","0.0007","11.3191","0.0012","90","","90","","90","","1722.3","0.2","150","1","150","1","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C14 H24 Cl Ge N2 P -","- C14 H24 Cl Ge N2 P -","- C56 H96 Cl4 Ge4 N8 P4 -","4","1","","Vrána, Jan; Ketkov, Sergey; Jambor, Roman; Růžička, Aleš; Lyčka, Antonín; Dostál, Libor","Germylenes and stannylenes stabilized within N2PE rings (E = Ge or Sn): combined experimental and theoretical study.","Dalton transactions (Cambridge, England : 2003)","2016","45","25","10343","10354","10.1039/c6dt01616b","","","0.71073","MoKα","","0.0311","0.0259","","","0.0541","0.0578","","","","","","1.098","","","","has coordinates","185372","2020-10-21","18:00:00",""
"7039317","10.463","0.002","24.322","0.005","13.238","0.003","90","","107.28","0.03","90","","3216.8","1.3","150","2","150.15","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C30 H50 Li N4 P -","- C30 H50 Li N4 P -","- C120 H200 Li4 N16 P4 -","4","0.5","","Vrána, Jan; Ketkov, Sergey; Jambor, Roman; Růžička, Aleš; Lyčka, Antonín; Dostál, Libor","Germylenes and stannylenes stabilized within N2PE rings (E = Ge or Sn): combined experimental and theoretical study.","Dalton transactions (Cambridge, England : 2003)","2016","45","25","10343","10354","10.1039/c6dt01616b","","","0.71073","MoKα","","0.1037","0.0573","","","0.1311","0.1576","","","","","","1.035","","","","has coordinates,has disorder","185372","2020-10-21","18:00:00",""
"7039318","15.1732","0.0004","20.1215","0.0008","15.398","0.0004","90","","90","","90","","4701.1","0.3","150","1","150","1","","","","","","","","5","C 2 2 21","C 2c 2","20","","","","- C48 H68 Ge N4 P2 -","- C48 H68 Ge N4 P2 -","- C192 H272 Ge4 N16 P8 -","4","0.5","","Vrána, Jan; Ketkov, Sergey; Jambor, Roman; Růžička, Aleš; Lyčka, Antonín; Dostál, Libor","Germylenes and stannylenes stabilized within N2PE rings (E = Ge or Sn): combined experimental and theoretical study.","Dalton transactions (Cambridge, England : 2003)","2016","45","25","10343","10354","10.1039/c6dt01616b","","","0.71073","MoKα","","0.0679","0.0469","","","0.0906","0.1016","","","","","","1.141","","","","has coordinates","185372","2020-10-21","18:00:00",""
"7039319","15.4435","0.0007","20.243","0.0003","15.3661","0.0004","90","","90","","90","","4803.8","0.3","150","1","150","1","","","","","","","","5","C 2 2 21","C 2c 2","20","","","","- C48 H68 N4 P2 Sn -","- C48 H68 N4 P2 Sn -","- C192 H272 N16 P8 Sn4 -","4","0.5","","Vrána, Jan; Ketkov, Sergey; Jambor, Roman; Růžička, Aleš; Lyčka, Antonín; Dostál, Libor","Germylenes and stannylenes stabilized within N2PE rings (E = Ge or Sn): combined experimental and theoretical study.","Dalton transactions (Cambridge, England : 2003)","2016","45","25","10343","10354","10.1039/c6dt01616b","","","0.71073","MoKα","","0.0492","0.032","","","0.0613","0.0727","","","","","","1.206","","","","has coordinates,has disorder","185372","2020-10-21","18:00:00",""
"7039320","14.5542","0.0004","15.005","0.0002","19.2902","0.0004","90","","105.712","0.003","90","","4055.3","0.16","150","1","150","1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C28 H68 K2 N8 P2 -","- C28 H68 K2 N8 P2 -","- C112 H272 K8 N32 P8 -","4","0.5","","Vrána, Jan; Ketkov, Sergey; Jambor, Roman; Růžička, Aleš; Lyčka, Antonín; Dostál, Libor","Germylenes and stannylenes stabilized within N2PE rings (E = Ge or Sn): combined experimental and theoretical study.","Dalton transactions (Cambridge, England : 2003)","2016","45","25","10343","10354","10.1039/c6dt01616b","","","0.71073","MoKα","","0.0479","0.0344","","","0.0802","0.0908","","","","","","1.1","","","","has coordinates","185372","2020-10-21","18:00:00",""
"7039321","17.353","0.002","30.453","0.003","17.511","0.002","90","","119.547","0.002","90","","8050.3","1.5","291","2","291","2","","","","","","","","7","P 1 21/m 1","-P 2yb","11","","","","- C84 H72 N12 Nd8 O104 Si W12 -","- C84 H72 N12 Nd8 O104 Si W12 -","- C168 H144 N24 Nd16 O208 Si2 W24 -","2","0.5","","Zhu, Wen-Hua; Zeng, Min; Wang, Juan; Li, Chen-Yang; Tian, Li-Hong; Yin, Jia-Cheng; Liu, Yu-Kun","A multifunctional lanthanide metal-organic framework supported by Keggin type polyoxometalates.","Dalton transactions (Cambridge, England : 2003)","2016","45","25","10141","10145","10.1039/c6dt00428h","","","0.71073","MoKα","","0.0479","0.0348","","","0.1037","0.1269","","","","","","1.07","","","","has coordinates,has disorder","185359","2020-10-21","18:00:00",""
"7039322","11.4559","0.0008","4.1982","0.0003","7.7048","0.0005","90","","90","","90","","370.56","0.04","150","2","150","2","","","","","","","","4","P m n 21","P 2ac -2","31","","","","- C3 H3 I2 N3 -","- C3 H3 I2 N3 -","- C6 H6 I4 N6 -","2","0.5","","Chand, Deepak; He, Chunlin; Hooper, Joseph P.; Mitchell, Lauren A.; Parrish, Damon A.; Shreeve, Jean'ne M.","Mono- and diiodo-1,2,3-triazoles and their mono nitro derivatives.","Dalton transactions (Cambridge, England : 2003)","2016","45","23","9684","9688","10.1039/c6dt01731b","","","0.71073","MoKα","","0.0187","0.0186","","","0.0452","0.0453","","","","","","1.088","","","","has coordinates","185522","2020-10-21","18:00:00",""
"7039323","7.274","0.003","7.508","0.003","7.98","0.003","84.239","0.004","83.37","0.005","68.174","0.004","401.1","0.3","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C4 H5 I2 N3 -","- C4 H5 I2 N3 -","- C8 H10 I4 N6 -","2","1","","Chand, Deepak; He, Chunlin; Hooper, Joseph P.; Mitchell, Lauren A.; Parrish, Damon A.; Shreeve, Jean'ne M.","Mono- and diiodo-1,2,3-triazoles and their mono nitro derivatives.","Dalton transactions (Cambridge, England : 2003)","2016","45","23","9684","9688","10.1039/c6dt01731b","","","0.71073","MoKα","","0.0344","0.0308","","","0.0808","0.0831","","","","","","1.165","","","","has coordinates","185522","2020-10-21","18:00:00",""
"7039324","7.0649","0.0012","7.2001","0.0012","7.8953","0.0013","70.362","0.005","64.462","0.005","86.027","0.005","339.95","0.1","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C3 H3 I N4 O2 -","- C3 H3 I N4 O2 -","- C6 H6 I2 N8 O4 -","2","1","","Chand, Deepak; He, Chunlin; Hooper, Joseph P.; Mitchell, Lauren A.; Parrish, Damon A.; Shreeve, Jean'ne M.","Mono- and diiodo-1,2,3-triazoles and their mono nitro derivatives.","Dalton transactions (Cambridge, England : 2003)","2016","45","23","9684","9688","10.1039/c6dt01731b","","","0.71073","MoKα","","0.0341","0.0312","","","0.0762","0.0788","","","","","","1.065","","","","has coordinates","185522","2020-10-21","18:00:00",""
"7039325","6.9327","0.0011","7.2485","0.0011","8.5638","0.0012","77.511","0.005","67.263","0.004","83.499","0.005","387.3","0.1","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C4 H5 I N4 O2 -","- C4 H5 I N4 O2 -","- C8 H10 I2 N8 O4 -","2","1","","Chand, Deepak; He, Chunlin; Hooper, Joseph P.; Mitchell, Lauren A.; Parrish, Damon A.; Shreeve, Jean'ne M.","Mono- and diiodo-1,2,3-triazoles and their mono nitro derivatives.","Dalton transactions (Cambridge, England : 2003)","2016","45","23","9684","9688","10.1039/c6dt01731b","","","0.71073","MoKα","","0.0351","0.0283","","","0.0648","0.0675","","","","","","1.049","","","","has coordinates","185522","2020-10-21","18:00:00",""
"7039326","17.177","0.005","20.069","0.006","20.907","0.005","74.84","0.015","65.94","0.011","89.11","0.018","6318","3","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C114 H102 F12 N12 O12 P2 Ru -","- C114 H102 F12 N12 O12 P2 Ru -","- C228 H204 F24 N24 O24 P4 Ru2 -","2","1","","Nie, Hai-Jing; Yang, Wen-Wen; Shao, Jiang-Yang; Zhong, Yu-Wu","Ruthenium-tris(bipyridine) complexes with multiple redox-active amine substituents: tuning of spin density distribution and deep-red to NIR electrochromism and electrofluorochromism.","Dalton transactions (Cambridge, England : 2003)","2016","45","25","10136","10140","10.1039/c6dt02014c","","","0.71073","MoKα","","0.1501","0.1075","","","0.256","0.2807","","","","","","1.151","","","","has coordinates,has disorder","185360","2020-10-21","18:00:00",""
"7039327","4.4318","0.0002","20.9733","0.0008","11.292","0.0004","90","","96.678","0.002","90","","1042.46","0.07","100","2","99.97","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C12 H9 N5 -","- C12 H9 N5 -","- C48 H36 N20 -","4","1","","McCarney, Eoin P.; Hawes, Chris S.; Blasco, Salvador; Gunnlaugsson, Thorfinnur","Synthesis and structural studies of 1,4-di(2-pyridyl)-1,2,3-triazole and its transition metal complexes; a versatile and subtly unsymmetric ligand.","Dalton transactions (Cambridge, England : 2003)","2016","45","25","10209","10221","10.1039/c6dt01416j","","","0.71073","MoKα","","0.0878","0.047","","","0.0908","0.1036","","","","","","1.004","","","","has coordinates,has disorder","185363","2020-10-21","18:00:00",""
"7039328","16.8836","0.0012","8.0136","0.0006","21.7775","0.0014","90","","107.411","0.005","90","","2811.5","0.4","100","2","100","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C26 H21 Cu F6 N11 P -","- C26 H21 Cu F6 N11 P -","- C104 H84 Cu4 F24 N44 P4 -","4","1","","McCarney, Eoin P.; Hawes, Chris S.; Blasco, Salvador; Gunnlaugsson, Thorfinnur","Synthesis and structural studies of 1,4-di(2-pyridyl)-1,2,3-triazole and its transition metal complexes; a versatile and subtly unsymmetric ligand.","Dalton transactions (Cambridge, England : 2003)","2016","45","25","10209","10221","10.1039/c6dt01416j","","","1.54178","CuKα","","0.1024","0.0614","","","0.1571","0.1852","","","","","","1.017","","","","has coordinates","185363","2020-10-21","18:00:00",""
"7039329","7.8483","0.0004","18.6289","0.001","9.3808","0.0005","90","","102.922","0.001","90","","1336.79","0.12","100","2","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H9 Cl2 N5 Pt -","- C12 H9 Cl2 N5 Pt -","- C48 H36 Cl8 N20 Pt4 -","4","1","","McCarney, Eoin P.; Hawes, Chris S.; Blasco, Salvador; Gunnlaugsson, Thorfinnur","Synthesis and structural studies of 1,4-di(2-pyridyl)-1,2,3-triazole and its transition metal complexes; a versatile and subtly unsymmetric ligand.","Dalton transactions (Cambridge, England : 2003)","2016","45","25","10209","10221","10.1039/c6dt01416j","","","0.71073","MoKα","","0.019","0.0171","","","0.0305","0.0308","","","","","","1.26","","","","has coordinates","185363","2020-10-21","18:00:00",""
"7039330","8.5058","0.0004","24.9233","0.0012","7.7725","0.0004","90","","105.421","0.002","90","","1588.39","0.14","100","2","99.99","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H12 Cl2 N6 Pt -","- C13.9999 H11.9999 Cl2 N5.9999 Pt -","- C55.9996 H47.9996 Cl8 N23.9996 Pt4 -","4","1","","McCarney, Eoin P.; Hawes, Chris S.; Blasco, Salvador; Gunnlaugsson, Thorfinnur","Synthesis and structural studies of 1,4-di(2-pyridyl)-1,2,3-triazole and its transition metal complexes; a versatile and subtly unsymmetric ligand.","Dalton transactions (Cambridge, England : 2003)","2016","45","25","10209","10221","10.1039/c6dt01416j","","","0.71073","MoKα","","0.0485","0.0395","","","0.0768","0.0789","","","","","","1.256","","","","has coordinates,has disorder","185363","2020-10-21","18:00:00",""
"7039331","7.454","0.002","8.717","0.003","19.132","0.005","90","","95.314","0.006","90","","1237.8","0.6","100","2","100.01","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H18 Co N12 O6 -","- C24 H18 Co N12 O6 -","- C48 H36 Co2 N24 O12 -","2","0.5","","McCarney, Eoin P.; Hawes, Chris S.; Blasco, Salvador; Gunnlaugsson, Thorfinnur","Synthesis and structural studies of 1,4-di(2-pyridyl)-1,2,3-triazole and its transition metal complexes; a versatile and subtly unsymmetric ligand.","Dalton transactions (Cambridge, England : 2003)","2016","45","25","10209","10221","10.1039/c6dt01416j","","","0.71073","MoKα","","0.1214","0.0695","","","0.1603","0.1866","","","","","","1.014","","","","has coordinates","185363","2020-10-21","18:00:00",""
"7039332","7.9055","0.0007","14.7905","0.0014","22.65","0.002","90","","92.542","0.002","90","","2645.8","0.4","100","2","100.01","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C48 H36 Ag2 F12 N20 Sb2 -","- C48 H36 Ag2 F12 N20 Sb2 -","- C96 H72 Ag4 F24 N40 Sb4 -","2","0.5","","McCarney, Eoin P.; Hawes, Chris S.; Blasco, Salvador; Gunnlaugsson, Thorfinnur","Synthesis and structural studies of 1,4-di(2-pyridyl)-1,2,3-triazole and its transition metal complexes; a versatile and subtly unsymmetric ligand.","Dalton transactions (Cambridge, England : 2003)","2016","45","25","10209","10221","10.1039/c6dt01416j","","","0.71073","MoKα","","0.07","0.0419","","","0.0872","0.0973","","","","","","1.067","","","","has coordinates","185363","2020-10-21","18:00:00",""
"7039333","10.96","0.009","7.193","0.006","12.908","0.011","90","","107.925","0.009","90","","968.2","1.4","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C8 H8 Co N3 O4 P -","- C8 H8 Co N3 O4 P -","- C32 H32 Co4 N12 O16 P4 -","4","1","","Zhang, Weiquan; Wang, Dianpeng; Zhu, Lin; Zhai, Fupeng; Weng, Linhong; Sun, Jinyu; Ling, Yun; Chen, Zhenxia; Zhou, Yaming","HCl chemisorption-induced drastic magneto-structural transformation in a layered cobalt-phosphonotriazolate coordination polymer.","Dalton transactions (Cambridge, England : 2003)","2016","45","26","10510","10513","10.1039/c6dt01363e","","","0.71073","MoKα","","0.0577","0.0563","","","0.1459","0.1481","","","","","","1.084","","","","has coordinates","185337","2020-10-21","18:00:00",""
"7039334","10.945","0.005","7.148","0.003","12.967","0.006","90","","108.675","0.005","90","","961.1","0.7","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C8 H8 Cu N3 O4 P -","- C8 H8 Cu N3 O4 P -","- C32 H32 Cu4 N12 O16 P4 -","4","1","","Zhang, Weiquan; Wang, Dianpeng; Zhu, Lin; Zhai, Fupeng; Weng, Linhong; Sun, Jinyu; Ling, Yun; Chen, Zhenxia; Zhou, Yaming","HCl chemisorption-induced drastic magneto-structural transformation in a layered cobalt-phosphonotriazolate coordination polymer.","Dalton transactions (Cambridge, England : 2003)","2016","45","26","10510","10513","10.1039/c6dt01363e","","","0.71073","MoKα","","0.0501","0.0438","","","0.1087","0.1126","","","","","","1.109","","","","has coordinates","185337","2020-10-21","18:00:00",""
"7039335","11.0479","0.0014","7.2597","0.0009","12.9092","0.0016","90","","109.188","0.002","90","","977.9","0.2","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C8 H8 Fe N3 O4 P -","- C8 H8 Fe N3 O4 P -","- C32 H32 Fe4 N12 O16 P4 -","4","1","","Zhang, Weiquan; Wang, Dianpeng; Zhu, Lin; Zhai, Fupeng; Weng, Linhong; Sun, Jinyu; Ling, Yun; Chen, Zhenxia; Zhou, Yaming","HCl chemisorption-induced drastic magneto-structural transformation in a layered cobalt-phosphonotriazolate coordination polymer.","Dalton transactions (Cambridge, England : 2003)","2016","45","26","10510","10513","10.1039/c6dt01363e","","","0.71073","MoKα","","0.032","0.026","","","0.0806","0.0983","","","","","","1.216","","","","has coordinates","185337","2020-10-21","18:00:00",""
"7039336","20.71","0.02","7.527","0.008","8.437","0.008","90","","99.746","0.01","90","","1296","2","293","2","293","2","","","","","","","","7","C 1 2/m 1","-C 2y","12","","","","- C8 H11 Cl Co N3 O5 P -","- C8 H11 Cl Co N3 O5 P -","- C32 H44 Cl4 Co4 N12 O20 P4 -","4","0.5","","Zhang, Weiquan; Wang, Dianpeng; Zhu, Lin; Zhai, Fupeng; Weng, Linhong; Sun, Jinyu; Ling, Yun; Chen, Zhenxia; Zhou, Yaming","HCl chemisorption-induced drastic magneto-structural transformation in a layered cobalt-phosphonotriazolate coordination polymer.","Dalton transactions (Cambridge, England : 2003)","2016","45","26","10510","10513","10.1039/c6dt01363e","","","0.71073","MoKα","","0.0372","0.0353","","","0.0949","0.0961","","","","","","1.05","","","","has coordinates","185337","2020-10-21","18:00:00",""
"7039337","9.757","0.003","9.169","0.003","19.3","0.005","90","","91.39","0.004","90","","1726.1","0.9","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C34 H28 Ag2 Cl6 N4 -","- C34 H28 Ag2 Cl6 N4 -","- C68 H56 Ag4 Cl12 N8 -","2","0.5","","Li, Shanshan; Sun, Jing; Zhang, Zhizhi; Xie, Ruixia; Fang, Xiangchen; Zhou, Mingdong","Carboxylation of terminal alkynes with CO2 using novel silver N-heterocyclic carbene complexes.","Dalton transactions (Cambridge, England : 2003)","2016","45","26","10577","10584","10.1039/c6dt01746k","","","0.71073","MoKα","","0.0792","0.041","","","0.097","0.1245","","","","","","0.942","","","","has coordinates","185345","2020-10-21","18:00:00",""
"7039338","9.992","0.005","8.977","0.004","19.725","0.009","90","","91.261","0.009","90","","1768.9","1.4","193","2","193","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C38 H40 Ag2 Cl2 N4 -","- C38 H40 Ag2 Cl2 N4 -","- C76 H80 Ag4 Cl4 N8 -","2","0.5","","Li, Shanshan; Sun, Jing; Zhang, Zhizhi; Xie, Ruixia; Fang, Xiangchen; Zhou, Mingdong","Carboxylation of terminal alkynes with CO2 using novel silver N-heterocyclic carbene complexes.","Dalton transactions (Cambridge, England : 2003)","2016","45","26","10577","10584","10.1039/c6dt01746k","","","0.71073","MoKα","","0.1477","0.1047","","","0.2673","0.2929","","","","","","1.141","","","","has coordinates,has disorder","185345","2020-10-21","18:00:00",""
"7039339","15.9786","0.0019","7.879","0.0009","15.8991","0.0018","90","","114.739","0.002","90","","1817.9","0.4","203","2","203","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C19 H20 Ag Cl N2 O2 -","- C19 H20 Ag Cl N2 O2 -","- C76 H80 Ag4 Cl4 N8 O8 -","4","1","","Li, Shanshan; Sun, Jing; Zhang, Zhizhi; Xie, Ruixia; Fang, Xiangchen; Zhou, Mingdong","Carboxylation of terminal alkynes with CO2 using novel silver N-heterocyclic carbene complexes.","Dalton transactions (Cambridge, England : 2003)","2016","45","26","10577","10584","10.1039/c6dt01746k","","","0.71073","MoKα","","0.0484","0.0373","","","0.123","0.1293","","","","","","1.165","","","","has coordinates","185345","2020-10-21","18:00:00",""
"7039340","14.281","0.003","8.041","0.002","17.283","0.004","90","","107.309","0.004","90","","1894.8","0.8","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C19 H20 Ag Cl N2 O2 -","- C19 H20 Ag Cl N2 O2 -","- C76 H80 Ag4 Cl4 N8 O8 -","4","1","","Li, Shanshan; Sun, Jing; Zhang, Zhizhi; Xie, Ruixia; Fang, Xiangchen; Zhou, Mingdong","Carboxylation of terminal alkynes with CO2 using novel silver N-heterocyclic carbene complexes.","Dalton transactions (Cambridge, England : 2003)","2016","45","26","10577","10584","10.1039/c6dt01746k","","","0.71073","MoKα","","0.0469","0.0314","","","0.0886","0.0961","","","","","","1.051","","","","has coordinates","185345","2020-10-21","18:00:00",""
"7039341","13.256","0.006","15.998","0.007","17.783","0.008","71.046","0.007","88.592","0.007","68.988","0.006","3312","3","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C65 H78 Cl Dy N8 Ni2 O17.5 -","- C65 H78 Cl Dy N8 Ni2 O17.654 -","- C130 H156 Cl2 Dy2 N16 Ni4 O35.308 -","2","1","","Yao, Min-Xia; Zhu, Zhao-Xia; Lu, Xing-Yun; Deng, Xiao-Wei; Jing, Su","Rare single-molecule magnets with six-coordinate Ln(III) ions exhibiting a trigonal antiprism configuration.","Dalton transactions (Cambridge, England : 2003)","2016","45","26","10689","10695","10.1039/c6dt01606e","","","0.71073","MoKα","","0.1333","0.0737","","","0.1826","0.2241","","","","","","1.013","","","","has coordinates,has disorder","185351","2020-10-21","18:00:00",""
"7039342","13.2669","0.0007","15.1167","0.0007","17.6076","0.001","73.3906","0.0017","89.3892","0.0019","66.6355","0.0016","3085.2","0.3","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C60 H68 N9 Ni2 O16 Tb -","- C60 H68 N9 Ni2 O16 Tb -","- C120 H136 N18 Ni4 O32 Tb2 -","2","1","","Yao, Min-Xia; Zhu, Zhao-Xia; Lu, Xing-Yun; Deng, Xiao-Wei; Jing, Su","Rare single-molecule magnets with six-coordinate Ln(III) ions exhibiting a trigonal antiprism configuration.","Dalton transactions (Cambridge, England : 2003)","2016","45","26","10689","10695","10.1039/c6dt01606e","","","0.71073","MoKα","","0.0542","0.0365","","","0.1025","0.1113","","","","","","1.054","","","","has coordinates","185351","2020-10-21","18:00:00",""
"7039343","13.2375","0.0006","15.1226","0.0009","17.6501","0.001","72.987","0.002","89.432","0.003","66.867","0.002","3084.8","0.3","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C60 H68 Gd N9 Ni2 O16 -","- C60 H68 Gd N9 Ni2 O16 -","- C120 H136 Gd2 N18 Ni4 O32 -","2","1","","Yao, Min-Xia; Zhu, Zhao-Xia; Lu, Xing-Yun; Deng, Xiao-Wei; Jing, Su","Rare single-molecule magnets with six-coordinate Ln(III) ions exhibiting a trigonal antiprism configuration.","Dalton transactions (Cambridge, England : 2003)","2016","45","26","10689","10695","10.1039/c6dt01606e","","","0.71073","MoKα","","0.0583","0.0408","","","0.1108","0.115","","","","","","1.054","","","","has coordinates","185351","2020-10-21","18:00:00",""
"7039344","13.3101","0.0007","15.1304","0.0008","17.5472","0.0007","73.642","0.002","89.254","0.003","66.439","0.002","3088.1","0.3","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C60 H68 Dy N9 Ni2 O16 -","- C60 H68 Dy N9 Ni2 O16 -","- C120 H136 Dy2 N18 Ni4 O32 -","2","1","","Yao, Min-Xia; Zhu, Zhao-Xia; Lu, Xing-Yun; Deng, Xiao-Wei; Jing, Su","Rare single-molecule magnets with six-coordinate Ln(III) ions exhibiting a trigonal antiprism configuration.","Dalton transactions (Cambridge, England : 2003)","2016","45","26","10689","10695","10.1039/c6dt01606e","","","0.71073","MoKα","","0.0593","0.0346","","","0.0922","0.1002","","","","","","0.999","","","","has coordinates","185351","2020-10-21","18:00:00",""
"7039345","10.84","0.0007","11.2885","0.001","14.2205","0.0007","85.293","0.005","77.072","0.005","73.587","0.007","1626.6","0.2","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C26 H44 Cl2 N8 Ni O2 -","- C26 H44 Cl2 N8 Ni O2 -","- C52 H88 Cl4 N16 Ni2 O4 -","2","1","","Ghosh, Somnath; Deka, Hemanta; Dangat, Yuvraj B.; Saha, Soumen; Gogoi, Kuldeep; Vanka, Kumar; Mondal, Biplab","Reductive nitrosylation of nickel(ii) complex by nitric oxide followed by nitrous oxide release.","Dalton transactions (Cambridge, England : 2003)","2016","45","25","10200","10208","10.1039/c6dt00826g","","","0.71073","MoKα","","0.0929","0.0655","","","0.1797","0.2249","","","","","","1.032","","","","has coordinates","185371","2020-10-21","18:00:00",""
"7039346","9.4536","0.0003","9.3089","0.0003","18.4419","0.0007","90","","91.025","0.002","90","","1622.68","0.1","296","2","296","2","","","","","","","","6","P 1 2/c 1","-P 2yc","13","","","","- C26 H44 Cl N9 Ni O4 -","- C26 H44 Cl N9 Ni O4 -","- C52 H88 Cl2 N18 Ni2 O8 -","2","0.5","","Ghosh, Somnath; Deka, Hemanta; Dangat, Yuvraj B.; Saha, Soumen; Gogoi, Kuldeep; Vanka, Kumar; Mondal, Biplab","Reductive nitrosylation of nickel(ii) complex by nitric oxide followed by nitrous oxide release.","Dalton transactions (Cambridge, England : 2003)","2016","45","25","10200","10208","10.1039/c6dt00826g","","","0.71073","MoKα","","0.0668","0.0599","","","0.1572","0.1596","","","","","","1.069","","","","has coordinates","185371","2020-10-21","18:00:00",""
"7039347","9.7243","0.0004","33.0698","0.0017","9.7619","0.0005","90","","97.492","0.003","90","","3112.4","0.3","296","2","296","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C26 H40 Cl N9 Ni O3.5 -","- C26 H40 Cl N9 Ni O3.5 -","- C104 H160 Cl4 N36 Ni4 O14 -","4","2","","Ghosh, Somnath; Deka, Hemanta; Dangat, Yuvraj B.; Saha, Soumen; Gogoi, Kuldeep; Vanka, Kumar; Mondal, Biplab","Reductive nitrosylation of nickel(ii) complex by nitric oxide followed by nitrous oxide release.","Dalton transactions (Cambridge, England : 2003)","2016","45","25","10200","10208","10.1039/c6dt00826g","","","0.71073","MoKα","","0.1297","0.076","","","0.1873","0.2342","","","","","","1.181","","","","has coordinates","192220","2020-10-21","18:00:00",""
"7039348","12.8162","0.0003","8.13176","0.00016","20.6429","0.0005","90","","100.132","0.002","90","","2117.82","0.08","173","","173","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C18 H18 F6 N5 O Pd Sb -","- C18 H18 F6 N5 O Pd Sb -","- C72 H72 F24 N20 O4 Pd4 Sb4 -","4","1","","Petersen, Allan R.; White, Andrew J. P.; Britovsek, George J. P.","Divergent reactivity of platinum(ii) and palladium(ii) methylperoxo complexes and the formation of an unusual hemi-aminal complex.","Dalton transactions (Cambridge, England : 2003)","2016","45","37","14520","14523","10.1039/c6dt01691j","","","0.71073","MoKα","","0.0436","0.0298","","","0.0642","0.0693","","","","","","1.077","","","","has coordinates,has disorder","187132","2020-10-21","18:00:00",""
"7039349","24.3681","0.0019","13.781","0.0011","16.1592","0.0013","90","","130.004","0.003","90","","4156.7","0.6","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C40 H36 Mn2 N8 O13 -","- C40 H36 Mn2 N8 O13 -","- C160 H144 Mn8 N32 O52 -","4","0.5","","Escriche-Tur, Luis; Font-Bardia, Mercè; Albela, Belén; Corbella, Montserrat","New insights into the comprehension of the magnetic properties of dinuclear Mn(III) compounds with the general formula [{MnL(NN)}2(μ-O)(μ-n-RC6H4COO)2]X2.","Dalton transactions (Cambridge, England : 2003)","2016","45","29","11753","11764","10.1039/c6dt01097k","","","0.71073","MoKα","","0.04","0.0344","","","0.0876","0.0934","","","","","","1.091","","","","has coordinates","185485","2020-10-21","18:00:00",""
"7039350","9.8493","0.0009","14.2702","0.0014","15.7977","0.0016","114.076","0.004","97.913","0.004","94.134","0.004","1987.6","0.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C74 H69 Mn4 N13 O29 -","- C74 H64 Mn4 N13 O29 -","- C74 H64 Mn4 N13 O29 -","1","0.5","","Escriche-Tur, Luis; Font-Bardia, Mercè; Albela, Belén; Corbella, Montserrat","New insights into the comprehension of the magnetic properties of dinuclear Mn(III) compounds with the general formula [{MnL(NN)}2(μ-O)(μ-n-RC6H4COO)2]X2.","Dalton transactions (Cambridge, England : 2003)","2016","45","29","11753","11764","10.1039/c6dt01097k","","","0.71073","MoKα","","0.1058","0.0842","","","0.244","0.2564","","","","","","1.158","","","","has coordinates,has disorder","185485","2020-10-21","18:00:00",""
"7039351","10.0416","0.0016","14.598","0.003","15.706","0.003","114.091","0.006","100.507","0.006","91.521","0.006","2053.4","0.7","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C36 H32 Cl2 Mn2 N4 O16 -","- C36 H32 Cl2 Mn2 N4 O16 -","- C72 H64 Cl4 Mn4 N8 O32 -","2","1","","Escriche-Tur, Luis; Font-Bardia, Mercè; Albela, Belén; Corbella, Montserrat","New insights into the comprehension of the magnetic properties of dinuclear Mn(III) compounds with the general formula [{MnL(NN)}2(μ-O)(μ-n-RC6H4COO)2]X2.","Dalton transactions (Cambridge, England : 2003)","2016","45","29","11753","11764","10.1039/c6dt01097k","","","0.71073","MoKα","","0.0792","0.062","","","0.1595","0.1674","","","","","","1.023","","","","has coordinates,has disorder","185485","2020-10-21","18:00:00",""
"7039352","25.409","0.007","25.409","0.007","35.143","0.001","90","","90","","120","","19649","8","293","2","293","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C116 H113 Cl6 Mn6 N13 O49 -","- C116 H108 Cl6 Mn6 N13 O49.01 -","- C696 H648 Cl36 Mn36 N78 O294.06 -","6","0.333333","","Escriche-Tur, Luis; Font-Bardia, Mercè; Albela, Belén; Corbella, Montserrat","New insights into the comprehension of the magnetic properties of dinuclear Mn(III) compounds with the general formula [{MnL(NN)}2(μ-O)(μ-n-RC6H4COO)2]X2.","Dalton transactions (Cambridge, England : 2003)","2016","45","29","11753","11764","10.1039/c6dt01097k","","","0.71073","MoKα","","0.1303","0.047","","","0.1094","0.1287","","","","","","0.881","","","","has coordinates,has disorder","185485","2020-10-21","18:00:00",""
"7039353","24.6687","0.0018","13.5393","0.0009","28.996","0.002","90","","90","","90","","9684.6","1.2","100","2","100","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C44 H47 Cl2 Mn2 N4 O14 -","- C44 H48 Cl2 Mn2 N4 O14 -","- C352 H384 Cl16 Mn16 N32 O112 -","8","2","","Escriche-Tur, Luis; Font-Bardia, Mercè; Albela, Belén; Corbella, Montserrat","New insights into the comprehension of the magnetic properties of dinuclear Mn(III) compounds with the general formula [{MnL(NN)}2(μ-O)(μ-n-RC6H4COO)2]X2.","Dalton transactions (Cambridge, England : 2003)","2016","45","29","11753","11764","10.1039/c6dt01097k","","","0.71073","MoKα","","0.0486","0.0374","","","0.0832","0.0881","","","","","","1.03","","","","has coordinates,has disorder","185485","2020-10-21","18:00:00",""
"7039354","9.8645","0.0003","12.9714","0.0004","14.1591","0.0006","86.32","0.003","71.315","0.003","85.595","0.002","1709.68","0.11","120","2","120","0.2","","","","","","","no","5","P -1","-P 1","2","no","phenyl substituted tin(IV) phthalocyanine","","- C44 H25 Cl2 N8 Sn -","- C44 H25 Cl2 N8 Sn -","- C88 H50 Cl4 N16 Sn2 -","2","1","","Konarev, Dmitri V.; Kuzmin, Alexey V.; Nakano, Yoshiaki; Khasanov, Salavat S.; Ishikawa, Manabu; Otsuka, Akihiro; Yamochi, Hideki; Saito, Gunzi; Lyubovskaya, Rimma N.","SnPhPc phthalocyanines with dianion Pc(2-) and radical trianion Pc˙(3-) macrocycles: syntheses, structures, and properties.","Dalton transactions (Cambridge, England : 2003)","2016","45","26","10780","10788","10.1039/c6dt01132b","","x-ray","0.71073","MoKα","","0.03","0.0246","","","0.0572","0.0594","","","","","","1.055","","","","has coordinates","211332","2020-10-21","18:00:00",""
"7039355","13.6897","0.0004","14.4413","0.0004","14.676","0.0004","109.063","0.002","92.219","0.002","96.715","0.002","2714.32","0.14","150","2","150","2","","","","","","","no","5","P -1","-P 1","2","no","phenyl substituted tin(IV) phthalocyanine cation with tetraphenylborate anion","","- C68 H55 B N8 Sn -","- C68 H55 B N8 Sn -","- C136 H110 B2 N16 Sn2 -","2","1","","Konarev, Dmitri V.; Kuzmin, Alexey V.; Nakano, Yoshiaki; Khasanov, Salavat S.; Ishikawa, Manabu; Otsuka, Akihiro; Yamochi, Hideki; Saito, Gunzi; Lyubovskaya, Rimma N.","SnPhPc phthalocyanines with dianion Pc(2-) and radical trianion Pc˙(3-) macrocycles: syntheses, structures, and properties.","Dalton transactions (Cambridge, England : 2003)","2016","45","26","10780","10788","10.1039/c6dt01132b","","x-ray","0.71073","MoKα","","0.0353","0.0292","","","0.0714","0.0743","","","","","","1.028","","","","has coordinates","211332","2020-10-21","18:00:00",""
"7039356","37.576","0.003","6.0193","0.0004","30.017","0.002","90","","106.952","0.002","90","","6494.3","0.8","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C42.5 H31 Cl N4 -","- C42 H30 N4 -","- C336 H240 N32 -","8","1","","Lim, Jaebum; Lynch, Vincent M.; Edupuganti, Ramakrishna; Ellington, Andrew; Anslyn, Eric V.","Synthesis and structural analyses of phenylethynyl-substituted tris(2-pyridylmethyl)amines and their copper(ii) complexes.","Dalton transactions (Cambridge, England : 2003)","2016","45","26","10585","10598","10.1039/c6dt00473c","","","0.71073","MoKα","","0.1137","0.0793","","","0.2015","0.2212","","","","","","1.044","","","","has coordinates","185335","2020-10-21","18:00:00",""
"7039357","23.3542","0.0019","6.1583","0.0006","29.5","0.003","90","","94.13","0.006","90","","4231.7","0.7","133","2","133","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C26 H22 N4 -","- C26 H22 N4 -","- C208 H176 N32 -","8","1","","Lim, Jaebum; Lynch, Vincent M.; Edupuganti, Ramakrishna; Ellington, Andrew; Anslyn, Eric V.","Synthesis and structural analyses of phenylethynyl-substituted tris(2-pyridylmethyl)amines and their copper(ii) complexes.","Dalton transactions (Cambridge, England : 2003)","2016","45","26","10585","10598","10.1039/c6dt00473c","","","0.71073","MoKα","","0.1177","0.0641","","","0.1486","0.1906","","","","","","1.028","","","","has coordinates","185335","2020-10-21","18:00:00",""
"7039358","6.1075","0.0012","18.77","0.003","24.794","0.004","108.838","0.006","90.297","0.006","98.256","0.006","2658.2","0.8","133","2","133","2","","","","","","","","3","P -1","-P 1","2","","","","- C34 H26 N4 -","- C34 H26 N4 -","- C136 H104 N16 -","4","2","","Lim, Jaebum; Lynch, Vincent M.; Edupuganti, Ramakrishna; Ellington, Andrew; Anslyn, Eric V.","Synthesis and structural analyses of phenylethynyl-substituted tris(2-pyridylmethyl)amines and their copper(ii) complexes.","Dalton transactions (Cambridge, England : 2003)","2016","45","26","10585","10598","10.1039/c6dt00473c","","","0.71073","MoKα","","0.202","0.0731","","","0.1336","0.1664","","","","","","1.027","","","","has coordinates,has disorder","185335","2020-10-21","18:00:00",""
"7039359","11.6528","0.0011","12.4257","0.0013","13.8814","0.0015","99.698","0.003","111.246","0.003","100.405","0.002","1781.5","0.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C36 H29 Cl2 Cu N5 O8 -","- C36 H29 Cl2 Cu N5 O8 -","- C72 H58 Cl4 Cu2 N10 O16 -","2","1","","Lim, Jaebum; Lynch, Vincent M.; Edupuganti, Ramakrishna; Ellington, Andrew; Anslyn, Eric V.","Synthesis and structural analyses of phenylethynyl-substituted tris(2-pyridylmethyl)amines and their copper(ii) complexes.","Dalton transactions (Cambridge, England : 2003)","2016","45","26","10585","10598","10.1039/c6dt00473c","","","0.71073","MoKα","","0.038","0.0351","","","0.0916","0.0934","","","","","","1.049","","","","has coordinates,has disorder","185335","2020-10-21","18:00:00",""
"7039360","12.707","0.0014","13.155","0.0015","14.596","0.002","116.759","0.003","107.16","0.003","90.037","0.004","2056","0.4","143","2","143","2","","","","","","","","6","P -1","-P 1","2","","","","- C44 H33 Cl2 Cu N5 O8 -","- C44 H33 Cl2 Cu N5 O8 -","- C88 H66 Cl4 Cu2 N10 O16 -","2","1","","Lim, Jaebum; Lynch, Vincent M.; Edupuganti, Ramakrishna; Ellington, Andrew; Anslyn, Eric V.","Synthesis and structural analyses of phenylethynyl-substituted tris(2-pyridylmethyl)amines and their copper(ii) complexes.","Dalton transactions (Cambridge, England : 2003)","2016","45","26","10585","10598","10.1039/c6dt00473c","","","0.71073","MoKα","","0.1118","0.0787","","","0.1916","0.2074","","","","","","1.283","","","","has coordinates","185335","2020-10-21","18:00:00",""
"7039361","10.9021","0.0008","22.0571","0.0019","12.5252","0.0008","90","","106.189","0.008","90","","2892.5","0.4","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C27 H26 Cl2 Cu N4 O9 -","- C27 H26 Cl2 Cu N4 O9 -","- C108 H104 Cl8 Cu4 N16 O36 -","4","1","","Lim, Jaebum; Lynch, Vincent M.; Edupuganti, Ramakrishna; Ellington, Andrew; Anslyn, Eric V.","Synthesis and structural analyses of phenylethynyl-substituted tris(2-pyridylmethyl)amines and their copper(ii) complexes.","Dalton transactions (Cambridge, England : 2003)","2016","45","26","10585","10598","10.1039/c6dt00473c","","","0.71073","MoKα","","0.1061","0.0807","","","0.2166","0.2361","","","","","","1.047","","","","has coordinates,has disorder","185335","2020-10-21","18:00:00",""
"7039362","9.4289","0.0002","10.5381","0.0002","16.9406","0.0003","90","","90","","90","","1683.26","0.06","295","","295","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C11 H22 O8 Pt S2 -","- C11 H22 O8 Pt S2 -","- C44 H88 O32 Pt4 S8 -","4","1","","Bergamini, Paola; Marvelli, Lorenza; Ferretti, Valeria; Gemmo, Chiara; Gambari, Roberto; Hushcha, Yekatsiaryna; Lampronti, Ilaria","Bis(dimethylsulfoxide)carbonateplatinum(ii), a new synthon for a low-impact, versatile synthetic route to anticancer Pt carboxylates.","Dalton transactions (Cambridge, England : 2003)","2016","45","26","10752","10760","10.1039/c6dt01689h","","","0.71073","MoKα","","0.037","0.0365","","","0.0984","0.0987","","","","","","1.111","","","","has coordinates","185336","2020-10-21","18:00:00",""
"7039363","14.6904","0.0002","19.753","0.0004","10.1449","0.0004","90","","95.117","0.0012","90","","2932.11","0.14","295","","295","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C11 H16 O5 Pt S2 -","- C11 H16 O5 Pt S2 -","- C88 H128 O40 Pt8 S16 -","8","2","","Bergamini, Paola; Marvelli, Lorenza; Ferretti, Valeria; Gemmo, Chiara; Gambari, Roberto; Hushcha, Yekatsiaryna; Lampronti, Ilaria","Bis(dimethylsulfoxide)carbonateplatinum(ii), a new synthon for a low-impact, versatile synthetic route to anticancer Pt carboxylates.","Dalton transactions (Cambridge, England : 2003)","2016","45","26","10752","10760","10.1039/c6dt01689h","","","0.71073","MoKα","","0.0712","0.0649","","","0.1792","0.1884","","","","","","1.032","","","","has coordinates","185336","2020-10-21","18:00:00",""
"7039364","11.2726","0.0002","12.5875","0.0003","14.9124","0.0003","107.454","0.0012","99.969","0.0015","103.422","0.0011","1895.05","0.07","295","","295","","","","","","","","","5","P -1","-P 1","2","","","","- C43 H34 O3 P2 Pt -","- C43 H34 O3 P2 Pt -","- C86 H68 O6 P4 Pt2 -","2","1","","Bergamini, Paola; Marvelli, Lorenza; Ferretti, Valeria; Gemmo, Chiara; Gambari, Roberto; Hushcha, Yekatsiaryna; Lampronti, Ilaria","Bis(dimethylsulfoxide)carbonateplatinum(ii), a new synthon for a low-impact, versatile synthetic route to anticancer Pt carboxylates.","Dalton transactions (Cambridge, England : 2003)","2016","45","26","10752","10760","10.1039/c6dt01689h","","","0.71073","MoKα","","0.049","0.0384","","","0.0941","0.0987","","","","","","1.058","","","","has coordinates","185336","2020-10-21","18:00:00",""
"7039365","14.6459","0.0018","13.6541","0.0018","18.104","0.002","90","","111.227","0.002","90","","3374.7","0.7","130","2","130","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C31 H53 Mg N3 O Si2 -","- C31 H53 Mg N3 O Si2 -","- C124 H212 Mg4 N12 O4 Si8 -","4","2","","Wang, Haobing; Guo, Jianshuang; Yang, Yang; Ma, Haiyan","Diastereoselective synthesis of chiral aminophenolate magnesium complexes and their application in the stereoselective polymerization of rac-lactide and rac-β-butyrolactone.","Dalton transactions (Cambridge, England : 2003)","2016","45","27","10942","10953","10.1039/c6dt01126h","","","0.71073","MoKα","","0.1247","0.0673","","","0.1493","0.1796","","","","","","1.008","","","","has coordinates","185401","2020-10-21","18:00:00",""
"7039366","10.578","0.003","17.438","0.005","23.315","0.007","90","","100.208","0.005","90","","4233","2","140","2","140","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C40 H68 Mg N3 O Si2 -","- C40 H68 Mg N3 O Si2 -","- C160 H272 Mg4 N12 O4 Si8 -","4","2","","Wang, Haobing; Guo, Jianshuang; Yang, Yang; Ma, Haiyan","Diastereoselective synthesis of chiral aminophenolate magnesium complexes and their application in the stereoselective polymerization of rac-lactide and rac-β-butyrolactone.","Dalton transactions (Cambridge, England : 2003)","2016","45","27","10942","10953","10.1039/c6dt01126h","","","0.71073","MoKα","","0.1257","0.0702","","","0.1424","0.167","","","","","","0.992","","","","has coordinates","192220","2020-10-21","18:00:00",""
"7039367","8.7667","0.0015","11.5603","0.0019","12.315","0.002","64.61","0.003","78.219","0.003","88.125","0.003","1101.6","0.3","140","2","140","2","","","","","","","","6","P 1","P 1","1","","","","- C45 H65 Mg N3 O Si2 -","- C45 H65 Mg N3 O Si2 -","- C45 H65 Mg N3 O Si2 -","1","1","","Wang, Haobing; Guo, Jianshuang; Yang, Yang; Ma, Haiyan","Diastereoselective synthesis of chiral aminophenolate magnesium complexes and their application in the stereoselective polymerization of rac-lactide and rac-β-butyrolactone.","Dalton transactions (Cambridge, England : 2003)","2016","45","27","10942","10953","10.1039/c6dt01126h","","","0.71073","MoKα","","0.0714","0.058","","","0.1528","0.1728","","","","","","1.028","","","","has coordinates","185401","2020-10-21","18:00:00",""
"7039368","10.0092","0.0004","22.1908","0.0009","23.6773","0.0009","90","","90","","90","","5259","0.4","140","2","140","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C55 H73 Mg N3 O Si3 -","- C55 H73 Mg N3 O Si3 -","- C220 H292 Mg4 N12 O4 Si12 -","4","1","","Wang, Haobing; Guo, Jianshuang; Yang, Yang; Ma, Haiyan","Diastereoselective synthesis of chiral aminophenolate magnesium complexes and their application in the stereoselective polymerization of rac-lactide and rac-β-butyrolactone.","Dalton transactions (Cambridge, England : 2003)","2016","45","27","10942","10953","10.1039/c6dt01126h","","","1.54178","CuKα","","0.1072","0.0626","","","0.1359","0.1605","","","","","","0.977","","","","has coordinates","185401","2020-10-21","18:00:00",""
"7039369","17.5181","0.0011","14.2716","0.001","16.0586","0.0011","90","","117.144","0.001","90","","3572.6","0.4","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C44 H44 N2 O3 Pt -","- C44 H44 N2 O3 Pt -","- C176 H176 N8 O12 Pt4 -","4","1","","Stacey, Oliver J.; Ward, Benjamin D.; Coles, Simon J.; Horton, Peter N.; Pope, Simon J. A.","Chromophore-labelled, luminescent platinum complexes: syntheses, structures, and spectroscopic properties.","Dalton transactions (Cambridge, England : 2003)","2016","45","25","10297","10307","10.1039/c6dt01335j","","","0.71075","MoKα","","0.0264","0.0236","","","0.0592","0.0611","","","","","","1.045","","","","has coordinates","185369","2020-10-21","18:00:00",""
"7039370","8.9153","0.0005","12.6111","0.0009","18.5893","0.0013","77.279","0.003","83.655","0.003","76.145","0.003","1975.7","0.2","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C49.5 H48 N2 O3 Pt -","- C49.5 H48 N2 O3 Pt -","- C99 H96 N4 O6 Pt2 -","2","1","","Stacey, Oliver J.; Ward, Benjamin D.; Coles, Simon J.; Horton, Peter N.; Pope, Simon J. A.","Chromophore-labelled, luminescent platinum complexes: syntheses, structures, and spectroscopic properties.","Dalton transactions (Cambridge, England : 2003)","2016","45","25","10297","10307","10.1039/c6dt01335j","","","0.71075","MoKα","","0.0313","0.0303","","","0.0843","0.0853","","","","","","1.047","","","","has coordinates,has disorder","185369","2020-10-21","18:00:00",""
"7039371","16.309","0.003","12.871","0.003","23.68","0.005","90","","90","","90","","4970.7","1.8","150","2","150","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C23 H19 Cl2 N5 Ni O9 -","- C23 H19 Cl2 N5 Ni O9 -","- C184 H152 Cl16 N40 Ni8 O72 -","8","1","","Knight, James C.; Amoroso, Angelo J.; Edwards, Peter G.; Singh, Neha; Ward, Benjamin D.","Shaping and enforcing coordination spheres: probing the ability of tripodal ligands to favour trigonal prismatic geometry.","Dalton transactions (Cambridge, England : 2003)","2016","45","26","10630","10642","10.1039/c6dt01165a","","","0.71073","MoKα","","0.1068","0.0535","","","0.1124","0.1319","","","","","","1.037","","","","has coordinates,has disorder","185353","2020-10-21","18:00:00",""
"7039372","8.584","0.0017","11.785","0.002","14.702","0.003","96.7","0.03","96.7","0.03","109.93","0.03","1369","0.6","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C23 H26 Cl2 Cu N4 O12 -","- C23 H26 Cl2 Cu N4 O12 -","- C46 H52 Cl4 Cu2 N8 O24 -","2","1","","Knight, James C.; Amoroso, Angelo J.; Edwards, Peter G.; Singh, Neha; Ward, Benjamin D.","Shaping and enforcing coordination spheres: probing the ability of tripodal ligands to favour trigonal prismatic geometry.","Dalton transactions (Cambridge, England : 2003)","2016","45","26","10630","10642","10.1039/c6dt01165a","","","0.71073","MoKα","","0.0798","0.0503","","","0.118","0.1329","","","","","","1.045","","","","has coordinates,has disorder","185353","2020-10-21","18:00:00",""
"7039373","17.018","0.003","12.7","0.003","23.847","0.005","90","","90","","90","","5154","1.9","150","2","150","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C23 H19 Cd Cl2 N5 O9 -","- C23 H19 Cd Cl2 N5 O9 -","- C184 H152 Cd8 Cl16 N40 O72 -","8","1","","Knight, James C.; Amoroso, Angelo J.; Edwards, Peter G.; Singh, Neha; Ward, Benjamin D.","Shaping and enforcing coordination spheres: probing the ability of tripodal ligands to favour trigonal prismatic geometry.","Dalton transactions (Cambridge, England : 2003)","2016","45","26","10630","10642","10.1039/c6dt01165a","","","0.71073","MoKα","","0.0664","0.0412","","","0.0943","0.1048","","","","","","1.032","","","","has coordinates,has disorder","185353","2020-10-21","18:00:00",""
"7039374","12.7935","0.0003","12.3606","0.0003","20.9431","0.0006","90","","101.729","0.001","90","","3242.69","0.14","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C30 H25 Cl2 Mn N7 O9 -","- C30 H25 Cl2 Mn N7 O9 -","- C120 H100 Cl8 Mn4 N28 O36 -","4","1","","Knight, James C.; Amoroso, Angelo J.; Edwards, Peter G.; Singh, Neha; Ward, Benjamin D.","Shaping and enforcing coordination spheres: probing the ability of tripodal ligands to favour trigonal prismatic geometry.","Dalton transactions (Cambridge, England : 2003)","2016","45","26","10630","10642","10.1039/c6dt01165a","","","0.71073","MoKα","","0.0953","0.0578","","","0.1396","0.1585","","","","","","1.028","","","","has coordinates,has disorder","185353","2020-10-21","18:00:00",""
"7039375","10.1576","0.0002","11.9556","0.0003","15.5564","0.0005","95.17","0.001","100.148","0.001","93.001","0.001","1847.56","0.08","150","2","150","2","","","","","","","","6","P -1","-P 1","2","aja073x","","","- C30 H25 Cl2 Fe N7 O9 -","- C30 H25 Cl2 Fe N7 O9 -","- C60 H50 Cl4 Fe2 N14 O18 -","2","1","","Knight, James C.; Amoroso, Angelo J.; Edwards, Peter G.; Singh, Neha; Ward, Benjamin D.","Shaping and enforcing coordination spheres: probing the ability of tripodal ligands to favour trigonal prismatic geometry.","Dalton transactions (Cambridge, England : 2003)","2016","45","26","10630","10642","10.1039/c6dt01165a","","","0.71073","MoKα","","0.1061","0.0759","","","0.2089","0.2257","","","","","","1.056","","","","has coordinates","185353","2020-10-21","18:00:00",""
"7039376","14.084","0.0002","21.3004","0.0003","19.6325","0.0003","90","","94.245","0.001","90","","5873.49","0.15","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C56 H46 Cl4 Co2 N12 O19 -","- C56 H46 Cl4 Co2 N12 O19 -","- C224 H184 Cl16 Co8 N48 O76 -","4","1","","Knight, James C.; Amoroso, Angelo J.; Edwards, Peter G.; Singh, Neha; Ward, Benjamin D.","Shaping and enforcing coordination spheres: probing the ability of tripodal ligands to favour trigonal prismatic geometry.","Dalton transactions (Cambridge, England : 2003)","2016","45","26","10630","10642","10.1039/c6dt01165a","","","0.71073","MoKα","","0.1502","0.064","","","0.1382","0.1689","","","","","","1.022","","","","has coordinates,has disorder","185353","2020-10-21","18:00:00",""
"7039377","12.4513","0.0003","10.2182","0.0003","20.2607","0.0006","90","","101.862","0.001","90","","2522.72","0.12","150","2","150","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C26 H19 Br Cl N5 Ni O5 -","- C26 H19 Br Cl N5 Ni O5 -","- C104 H76 Br4 Cl4 N20 Ni4 O20 -","4","1","","Knight, James C.; Amoroso, Angelo J.; Edwards, Peter G.; Singh, Neha; Ward, Benjamin D.","Shaping and enforcing coordination spheres: probing the ability of tripodal ligands to favour trigonal prismatic geometry.","Dalton transactions (Cambridge, England : 2003)","2016","45","26","10630","10642","10.1039/c6dt01165a","","","0.71073","MoKα","","0.1098","0.0678","","","0.1787","0.2018","","","","","","1.137","","","","has coordinates","185353","2020-10-21","18:00:00",""
"7039378","12.8927","0.0002","12.4047","0.0003","20.9303","0.0005","90","","102.311","0.001","90","","3270.41","0.12","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C30 H25 Cd Cl2 N7 O9 -","- C30 H25 Cd Cl2 N7 O9 -","- C120 H100 Cd4 Cl8 N28 O36 -","4","1","","Knight, James C.; Amoroso, Angelo J.; Edwards, Peter G.; Singh, Neha; Ward, Benjamin D.","Shaping and enforcing coordination spheres: probing the ability of tripodal ligands to favour trigonal prismatic geometry.","Dalton transactions (Cambridge, England : 2003)","2016","45","26","10630","10642","10.1039/c6dt01165a","","","0.71073","MoKα","","0.087","0.0497","","","0.1087","0.1254","","","","","","0.967","","","","has coordinates,has disorder","185353","2020-10-21","18:00:00",""
"7039379","10.183","0.001","45.827","0.001","11.261","0.001","90","","109.31","0.01","90","","4959.4","0.7","200","2","200","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C39 H64 N10 Ni2 O9 S4 -","- C39 H64 N10 Ni2 O9 S4 -","- C156 H256 N40 Ni8 O36 S16 -","4","1","","Nguyen, H. H.; Jegathesh, J. J.; Takiden, A.; Hauenstein, D.; Pham, C. T.; Le, C. D.; Abram, U.","2,6-Dipicolinoylbis(N,N-dialkylthioureas) as versatile building blocks for oligo- and polynuclear architectures.","Dalton transactions (Cambridge, England : 2003)","2016","45","26","10771","10779","10.1039/c6dt01389a","","","0.71073","MoKα","","0.15","0.0576","","","0.1123","0.139","","","","","","0.86","","","","has coordinates","185338","2020-10-21","18:00:00",""
"7039380","19.393","0.001","13.171","0.001","22.966","0.001","90","","95.69","0.01","90","","5837.2","0.6","200","","200","2","","","","","","","","7","I 1 2/c 1","-I 2yc","15","","","","- C44 H71 N10 Ni2 O14 Pr S4 -","- C44 H71 N10 Ni2 O14 Pr S4 -","- C176 H284 N40 Ni8 O56 Pr4 S16 -","4","0.5","","Nguyen, H. H.; Jegathesh, J. J.; Takiden, A.; Hauenstein, D.; Pham, C. T.; Le, C. D.; Abram, U.","2,6-Dipicolinoylbis(N,N-dialkylthioureas) as versatile building blocks for oligo- and polynuclear architectures.","Dalton transactions (Cambridge, England : 2003)","2016","45","26","10771","10779","10.1039/c6dt01389a","","","0.71073","MoKα","","0.0635","0.0342","","","0.06","0.0652","","","","","","0.854","","","","has coordinates,has disorder","185338","2020-10-21","18:00:00",""
"7039381","37.438","0.003","17.1664","0.0013","19.0285","0.0014","90","","90","","90","","12229.2","1.6","100","2","100","2","","","","","","","","7","F d d 2","F 2 -2d","43","","","","- C51 H69 Ba N15 Ni2 O6 S6 -","- C51 H69 Ba N15 Ni2 O6 S6 -","- C408 H552 Ba8 N120 Ni16 O48 S48 -","8","0.5","","Nguyen, H. H.; Jegathesh, J. J.; Takiden, A.; Hauenstein, D.; Pham, C. T.; Le, C. D.; Abram, U.","2,6-Dipicolinoylbis(N,N-dialkylthioureas) as versatile building blocks for oligo- and polynuclear architectures.","Dalton transactions (Cambridge, England : 2003)","2016","45","26","10771","10779","10.1039/c6dt01389a","","","0.71073","MoKα","","0.0166","0.0153","","","0.0332","0.0334","","","","","","1.065","","","","has coordinates,has disorder","185338","2020-10-21","18:00:00",""
"7039382","11.4359","0.0006","16.1026","0.001","18.6442","0.0013","90","","90","","90","","3433.3","0.4","200","2","200","2","","","","","","","","8","I 2 2 2","I 2 2","23","","","","- C48 H74 Cl Cu2 Dy N10 O14 S4 -","- C48 H74 Cl Cu2 Dy N10 O14 S4 -","- C96 H148 Cl2 Cu4 Dy2 N20 O28 S8 -","2","0.25","","Nguyen, H. H.; Jegathesh, J. J.; Takiden, A.; Hauenstein, D.; Pham, C. T.; Le, C. D.; Abram, U.","2,6-Dipicolinoylbis(N,N-dialkylthioureas) as versatile building blocks for oligo- and polynuclear architectures.","Dalton transactions (Cambridge, England : 2003)","2016","45","26","10771","10779","10.1039/c6dt01389a","","","0.71073","MoKα","","0.0465","0.0405","","","0.098","0.1005","","","","","","0.88","","","","has coordinates","185338","2020-10-21","18:00:00",""
"7039383","17.382","0.001","22.19","0.002","22.462","0.002","108.26","0.01","97.94","0.01","93.57","0.01","8097.1","1.3","200","2","200","2","","","","","","","","8","P -1","-P 1","2","","","","- C107.5 H129 Ba2 Cl7 Mn4 N30 O26 S12 -","- C107.5 H129 Ba2 Cl7 Mn4 N30 O26 S12 -","- C215 H258 Ba4 Cl14 Mn8 N60 O52 S24 -","2","1","","Nguyen, H. H.; Jegathesh, J. J.; Takiden, A.; Hauenstein, D.; Pham, C. T.; Le, C. D.; Abram, U.","2,6-Dipicolinoylbis(N,N-dialkylthioureas) as versatile building blocks for oligo- and polynuclear architectures.","Dalton transactions (Cambridge, England : 2003)","2016","45","26","10771","10779","10.1039/c6dt01389a","","","0.71073","MoKα","","0.1883","0.0766","","","0.161","0.207","","","","","","0.826","","","","has coordinates","185338","2020-10-21","18:00:00",""
"7039384","14.2409","0.0003","15.5678","0.0004","20.0839","0.0004","75.549","0.001","83.888","0.001","75.671","0.001","4172.84","0.16","150","2","150","2","","","","","","","","8","P -1","-P 1","2","","","","- C92 H74 Ag4 Cl4 Fe4 N4 O P4 -","- C92 H74 Ag4 Cl4 Fe4 N4 O P4 -","- C184 H148 Ag8 Cl8 Fe8 N8 O2 P8 -","2","1","","Škoch, Karel; Uhlík, Filip; Císařová, Ivana; Štěpnička, Petr","Silver(i) complexes with 1'-(diphenylphosphino)-1-cyanoferrocene: the art of improvisation in coordination.","Dalton transactions (Cambridge, England : 2003)","2016","45","26","10655","10671","10.1039/c6dt01843b","","","0.71073","MoKα","","0.0611","0.0347","","","0.0516","0.0579","","","","","","1.005","","","","has coordinates","185347","2020-10-21","18:00:00",""
"7039385","14.8421","0.0004","16.8593","0.0005","18.7465","0.0005","64.394","0.001","77.568","0.001","74.752","0.001","4053.3","0.2","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C93 H74 Ag2 Cl4 Fe4 N4 P4 -","- C93 H74 Ag2 Cl4 Fe4 N4 P4 -","- C186 H148 Ag4 Cl8 Fe8 N8 P8 -","2","1","","Škoch, Karel; Uhlík, Filip; Císařová, Ivana; Štěpnička, Petr","Silver(i) complexes with 1'-(diphenylphosphino)-1-cyanoferrocene: the art of improvisation in coordination.","Dalton transactions (Cambridge, England : 2003)","2016","45","26","10655","10671","10.1039/c6dt01843b","","","0.71073","MoKα","","0.0419","0.031","","","0.0687","0.074","","","","","","1.02","","","","has coordinates,has disorder","185347","2020-10-21","18:00:00",""
"7039386","14.4397","0.0003","15.5216","0.0003","20.1463","0.0004","75.795","0.001","84.538","0.001","76.015","0.001","4244.44","0.15","150","2","150","2","","","","","","","","8","P -1","-P 1","2","","","","- C92 H72.5 Ag4 Br4 Fe4 N4 O0.25 P4 -","- C92 H72.5 Ag4 Br4 Fe4 N4 O0.25 P4 -","- C184 H145 Ag8 Br8 Fe8 N8 O0.5 P8 -","2","1","","Škoch, Karel; Uhlík, Filip; Císařová, Ivana; Štěpnička, Petr","Silver(i) complexes with 1'-(diphenylphosphino)-1-cyanoferrocene: the art of improvisation in coordination.","Dalton transactions (Cambridge, England : 2003)","2016","45","26","10655","10671","10.1039/c6dt01843b","","","0.71073","MoKα","","0.0347","0.0229","","","0.0408","0.0431","","","","","","1.026","","","","has coordinates","185347","2020-10-21","18:00:00",""
"7039387","32.5006","0.0006","12.0171","0.0002","26.2756","0.0004","90","","97.249","0.001","90","","10180.3","0.3","150","2","150","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C104 H96 Ag4 Fe4 I4 N4 O6 P4 -","- C100 H88 Ag4 Fe4 I4 N4 O4 P4 -","- C400 H352 Ag16 Fe16 I16 N16 O16 P16 -","4","0.5","","Škoch, Karel; Uhlík, Filip; Císařová, Ivana; Štěpnička, Petr","Silver(i) complexes with 1'-(diphenylphosphino)-1-cyanoferrocene: the art of improvisation in coordination.","Dalton transactions (Cambridge, England : 2003)","2016","45","26","10655","10671","10.1039/c6dt01843b","","","0.71073","MoKα","","0.0376","0.0297","","","0.0687","0.0712","","","","","","1.036","","","","has coordinates","185347","2020-10-21","18:00:00",""
"7039388","33.0189","0.0007","12.0454","0.0003","26.0476","0.0006","90","","99.743","0.001","90","","10210.4","0.4","150","2","150","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C96 H76 Ag4 Cl12 Fe4 I4 N4 P4 -","- C96 H76 Ag4 Cl12 Fe4 I4 N4 P4 -","- C384 H304 Ag16 Cl48 Fe16 I16 N16 P16 -","4","0.5","","Škoch, Karel; Uhlík, Filip; Císařová, Ivana; Štěpnička, Petr","Silver(i) complexes with 1'-(diphenylphosphino)-1-cyanoferrocene: the art of improvisation in coordination.","Dalton transactions (Cambridge, England : 2003)","2016","45","26","10655","10671","10.1039/c6dt01843b","","","0.71073","MoKα","","0.0374","0.0293","","","0.0606","0.0637","","","","","","1.053","","","","has coordinates","185347","2020-10-21","18:00:00",""
"7039389","10.9157","0.0002","33.046","0.0006","13.5246","0.0003","90","","90.5317","0.0007","90","","4878.39","0.17","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C48 H36 Ag2 Fe2 N4 P2 -","- C48 H36 Ag2 Fe2 N4 P2 -","- C192 H144 Ag8 Fe8 N16 P8 -","4","1","","Škoch, Karel; Uhlík, Filip; Císařová, Ivana; Štěpnička, Petr","Silver(i) complexes with 1'-(diphenylphosphino)-1-cyanoferrocene: the art of improvisation in coordination.","Dalton transactions (Cambridge, England : 2003)","2016","45","26","10655","10671","10.1039/c6dt01843b","","","0.71073","MoKα","","0.0297","0.0244","","","0.0495","0.0511","","","","","","1.053","","","","has coordinates","185347","2020-10-21","18:00:00",""
"7039390","13.0647","0.0003","22.9434","0.0005","33.3549","0.0009","90","","100.968","0.001","90","","9815.5","0.4","150","2","150","2","","","","","","","","7","P 1 2/n 1","-P 2yac","13","","","","- C96 H68 Ag4 Fe4 N8 P4 S4 -","- C96 H68 Ag4 Fe4 N8 P4 S4 -","- C384 H272 Ag16 Fe16 N32 P16 S16 -","4","1","","Škoch, Karel; Uhlík, Filip; Císařová, Ivana; Štěpnička, Petr","Silver(i) complexes with 1'-(diphenylphosphino)-1-cyanoferrocene: the art of improvisation in coordination.","Dalton transactions (Cambridge, England : 2003)","2016","45","26","10655","10671","10.1039/c6dt01843b","","","0.71073","MoKα","","0.0614","0.0468","","","0.1223","0.1311","","","","","","1.102","","","","has coordinates","185347","2020-10-21","18:00:00",""
"7039391","12.4899","0.0004","13.2576","0.0004","13.7984","0.0004","104.055","0.001","111.698","0.001","96.545","0.001","2006.06","0.11","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C94 H72 Ag2 Fe4 N6 P4 S2 -","- C94 H72 Ag2 Fe4 N6 P4 S2 -","- C94 H72 Ag2 Fe4 N6 P4 S2 -","1","0.5","","Škoch, Karel; Uhlík, Filip; Císařová, Ivana; Štěpnička, Petr","Silver(i) complexes with 1'-(diphenylphosphino)-1-cyanoferrocene: the art of improvisation in coordination.","Dalton transactions (Cambridge, England : 2003)","2016","45","26","10655","10671","10.1039/c6dt01843b","","","0.71073","MoKα","","0.0318","0.0241","","","0.0502","0.0533","","","","","","1.024","","","","has coordinates","185347","2020-10-21","18:00:00",""
"7039392","26.7175","0.0008","14.4939","0.0004","26.1685","0.0008","90","","115.336","0.0011","90","","9158.8","0.5","150","2","150","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C92 H72 Ag2 F6 Fe4 N4 P4 Si -","- C92 H72 Ag2 F6 Fe4 N4 P4 Si -","- C368 H288 Ag8 F24 Fe16 N16 P16 Si4 -","4","0.5","","Škoch, Karel; Uhlík, Filip; Císařová, Ivana; Štěpnička, Petr","Silver(i) complexes with 1'-(diphenylphosphino)-1-cyanoferrocene: the art of improvisation in coordination.","Dalton transactions (Cambridge, England : 2003)","2016","45","26","10655","10671","10.1039/c6dt01843b","","","0.71073","MoKα","","0.0555","0.0454","","","0.0915","0.0944","","","","","","1.147","","","","has coordinates,has disorder","204132","2020-10-21","18:00:00",""
"7039393","8.4383","0.0002","11.2773","0.0003","22.8008","0.0005","90","","97.694","0.001","90","","2150.22","0.09","150","2","150","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C46 H36 Ag2 Cl2 Fe2 N2 O8 P2 -","- C46 H36 Ag2 Cl2 Fe2 N2 O8 P2 -","- C92 H72 Ag4 Cl4 Fe4 N4 O16 P4 -","2","0.5","","Škoch, Karel; Uhlík, Filip; Císařová, Ivana; Štěpnička, Petr","Silver(i) complexes with 1'-(diphenylphosphino)-1-cyanoferrocene: the art of improvisation in coordination.","Dalton transactions (Cambridge, England : 2003)","2016","45","26","10655","10671","10.1039/c6dt01843b","","","0.71073","MoKα","","0.0412","0.0279","","","0.0522","0.0561","","","","","","1.011","","","","has coordinates","185347","2020-10-21","18:00:00",""
"7039394","8.3855","0.0001","11.1758","0.0002","22.8296","0.0003","90","","97.128","0.001","90","","2122.93","0.05","150","2","150","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C46 H36 Ag2 B2 F8 Fe2 N2 P2 -","- C46 H36 Ag2 B2 F8 Fe2 N2 P2 -","- C92 H72 Ag4 B4 F16 Fe4 N4 P4 -","2","0.5","","Škoch, Karel; Uhlík, Filip; Císařová, Ivana; Štěpnička, Petr","Silver(i) complexes with 1'-(diphenylphosphino)-1-cyanoferrocene: the art of improvisation in coordination.","Dalton transactions (Cambridge, England : 2003)","2016","45","26","10655","10671","10.1039/c6dt01843b","","","0.71073","MoKα","","0.0281","0.0229","","","0.0507","0.053","","","","","","1.048","","","","has coordinates","185347","2020-10-21","18:00:00",""
"7039395","8.4854","0.0002","14.8856","0.0005","23.0053","0.0007","90","","94.859","0.001","90","","2895.36","0.15","150","2","150","2","","","","","","","","9","P 1 21/c 1","-P 2ybc","14","","","","- C54 H52 Ag2 F12 Fe2 N2 O4 P2 Sb2 -","- C54 H52 Ag2 F12 Fe2 N2 O4 P2 Sb2 -","- C108 H104 Ag4 F24 Fe4 N4 O8 P4 Sb4 -","2","0.5","","Škoch, Karel; Uhlík, Filip; Císařová, Ivana; Štěpnička, Petr","Silver(i) complexes with 1'-(diphenylphosphino)-1-cyanoferrocene: the art of improvisation in coordination.","Dalton transactions (Cambridge, England : 2003)","2016","45","26","10655","10671","10.1039/c6dt01843b","","","0.71073","MoKα","","0.0556","0.0347","","","0.0638","0.0709","","","","","","1.011","","","","has coordinates,has disorder","185347","2020-10-21","18:00:00",""
"7039396","12.0872","0.0003","14.0822","0.0003","17.7896","0.0004","69.1784","0.0007","72.1205","0.0007","83.0402","0.0007","2693.35","0.11","150","2","150","2","","","","","","","","8","P -1","-P 1","2","","","","- C110 H60 Ag2 B2 F48 Fe2 N2 P2 -","- C110 H60 Ag2 B2 F48 Fe2 N2 P2 -","- C110 H60 Ag2 B2 F48 Fe2 N2 P2 -","1","0.5","","Škoch, Karel; Uhlík, Filip; Císařová, Ivana; Štěpnička, Petr","Silver(i) complexes with 1'-(diphenylphosphino)-1-cyanoferrocene: the art of improvisation in coordination.","Dalton transactions (Cambridge, England : 2003)","2016","45","26","10655","10671","10.1039/c6dt01843b","","","0.71073","MoKα","","0.0422","0.0364","","","0.0944","0.0988","","","","","","1.04","","","","has coordinates","185347","2020-10-21","18:00:00",""
"7039397","9.5212","0.0003","21.6705","0.0006","22.1659","0.0007","90","","90","","90","","4573.5","0.2","150","2","150","2","","","","","","","","9","P 21 21 21","P 2ac 2ab","19","","","","- C50 H44 Ag B F4 Fe2 N2 O2 P2 -","- C50 H44 Ag B F4 Fe2 N2 O2 P2 -","- C200 H176 Ag4 B4 F16 Fe8 N8 O8 P8 -","4","1","","Škoch, Karel; Uhlík, Filip; Císařová, Ivana; Štěpnička, Petr","Silver(i) complexes with 1'-(diphenylphosphino)-1-cyanoferrocene: the art of improvisation in coordination.","Dalton transactions (Cambridge, England : 2003)","2016","45","26","10655","10671","10.1039/c6dt01843b","","","0.71073","MoKα","","0.0284","0.0252","","","0.054","0.0552","","","","","","1.03","","","","has coordinates","204132","2020-10-21","18:00:00",""
"7039398","21.642","0.005","20.337","0.005","16.105","0.005","90","","98.831","0.005","90","","7004","3","90","","90","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C64 H93.15 Fe2 N6 P2 -","- C64 H93.15 Fe2 N6 P2 -","- C256 H372.6 Fe8 N24 P8 -","4","0.5","","Hein, Nicholas M.; Suzuki, Tatsuya; Ogawa, Takahiko; Fryzuk, Michael D.","Low coordinate iron derivatives stabilized by a β-diketiminate mimic. Synthesis and coordination chemistry of enamidophosphinimine scaffolds to generate diiron dinitrogen complexes.","Dalton transactions (Cambridge, England : 2003)","2016","45","37","14697","14708","10.1039/c6dt01673a","","x-ray","0.71069","MoKα","","0.0868","0.0626","","","0.1623","0.1704","","","","","","1.071","","","","has coordinates,has disorder","187143","2020-10-21","18:00:00",""
"7039399","9.999","0.003","13.544","0.005","13.905","0.005","62.101","0.006","72.296","0.007","85.151","0.007","1581.7","1","90","","90","","","","","","","","","6","P -1","-P 1","2","","","","- C64 H96 Br2 Fe2 N4 P2 -","- C64 H96 Br2 Fe2 N4 P2 -","- C64 H96 Br2 Fe2 N4 P2 -","1","0.5","","Hein, Nicholas M.; Suzuki, Tatsuya; Ogawa, Takahiko; Fryzuk, Michael D.","Low coordinate iron derivatives stabilized by a β-diketiminate mimic. Synthesis and coordination chemistry of enamidophosphinimine scaffolds to generate diiron dinitrogen complexes.","Dalton transactions (Cambridge, England : 2003)","2016","45","37","14697","14708","10.1039/c6dt01673a","","x-ray","0.71073","MoKα","","0.1019","0.0665","","","0.1553","0.1683","","","","","","1.055","","","","has coordinates","187143","2020-10-21","18:00:00",""
"7039400","17.3586","0.0005","16.9214","0.0005","23.4188","0.0007","90","","90","","90","","6878.8","0.4","90","2","90","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C35 H54 Br Fe N2 P -","- C35 H54 Br Fe N2 P -","- C280 H432 Br8 Fe8 N16 P8 -","8","1","","Hein, Nicholas M.; Suzuki, Tatsuya; Ogawa, Takahiko; Fryzuk, Michael D.","Low coordinate iron derivatives stabilized by a β-diketiminate mimic. Synthesis and coordination chemistry of enamidophosphinimine scaffolds to generate diiron dinitrogen complexes.","Dalton transactions (Cambridge, England : 2003)","2016","45","37","14697","14708","10.1039/c6dt01673a","","x-ray","0.71073","MoKα","","0.0814","0.0528","","","0.1149","0.1265","","","","","","1.037","","","","has coordinates","187143","2020-10-21","18:00:00",""
"7039401","10.399","0.0006","28.6698","0.0015","22.9617","0.0013","90","","100.92","0.001","90","","6721.8","0.6","90","2","90","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C70 H108 Fe2 N6 P2 -","- C70 H108 Fe2 N6 P2 -","- C280 H432 Fe8 N24 P8 -","4","1","","Hein, Nicholas M.; Suzuki, Tatsuya; Ogawa, Takahiko; Fryzuk, Michael D.","Low coordinate iron derivatives stabilized by a β-diketiminate mimic. Synthesis and coordination chemistry of enamidophosphinimine scaffolds to generate diiron dinitrogen complexes.","Dalton transactions (Cambridge, England : 2003)","2016","45","37","14697","14708","10.1039/c6dt01673a","","x-ray","0.71073","MoKα","","0.0986","0.0479","","","0.0833","0.0965","","","","","","1.001","","","","has coordinates","187143","2020-10-21","18:00:00",""
"7039402","13.121","0.003","15.896","0.004","16.706","0.004","90.837","0.004","109.446","0.004","101.917","0.004","3201.7","1.3","90","2","90","","","","","","","","","6","P -1","-P 1","2","","","","- C27 H38 Br Fe N2 P -","- C27 H38 Br Fe N2 P -","- C108 H152 Br4 Fe4 N8 P4 -","4","2","","Hein, Nicholas M.; Suzuki, Tatsuya; Ogawa, Takahiko; Fryzuk, Michael D.","Low coordinate iron derivatives stabilized by a β-diketiminate mimic. Synthesis and coordination chemistry of enamidophosphinimine scaffolds to generate diiron dinitrogen complexes.","Dalton transactions (Cambridge, England : 2003)","2016","45","37","14697","14708","10.1039/c6dt01673a","","x-ray","0.71073","MoKα","","0.1452","0.0827","","","0.203","0.2298","","","","","","0.909","","","","has coordinates","187143","2020-10-21","18:00:00",""
"7039403","19.562","0.003","11.2091","0.0014","20.674","0.003","90","","112.138","0.003","90","","4199","1","90","2","90","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C46 H67 Fe N3 P2 -","- C46 H67 Fe N3 P2 -","- C184 H268 Fe4 N12 P8 -","4","1","","Hein, Nicholas M.; Suzuki, Tatsuya; Ogawa, Takahiko; Fryzuk, Michael D.","Low coordinate iron derivatives stabilized by a β-diketiminate mimic. Synthesis and coordination chemistry of enamidophosphinimine scaffolds to generate diiron dinitrogen complexes.","Dalton transactions (Cambridge, England : 2003)","2016","45","37","14697","14708","10.1039/c6dt01673a","","x-ray","0.71073","MoKα","","0.1598","0.0807","","","0.1703","0.2062","","","","","","0.974","","","","has coordinates","187143","2020-10-21","18:00:00",""
"7039404","26.34","0.003","11.8226","0.0016","24.864","0.003","90","","106.786","0.003","90","","7412.9","1.6","90","","90.15","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C35.5 H55.5 Fe N2 P -","- C35.5 H55.5 Fe N2 P -","- C284 H444 Fe8 N16 P8 -","8","1","","Hein, Nicholas M.; Suzuki, Tatsuya; Ogawa, Takahiko; Fryzuk, Michael D.","Low coordinate iron derivatives stabilized by a β-diketiminate mimic. Synthesis and coordination chemistry of enamidophosphinimine scaffolds to generate diiron dinitrogen complexes.","Dalton transactions (Cambridge, England : 2003)","2016","45","37","14697","14708","10.1039/c6dt01673a","","x-ray","0.71073","MoKα","","0.1488","0.1319","","","0.3467","0.3535","","","","","","1.066","","","","has coordinates,has disorder","187143","2020-10-21","18:00:00",""
"7039405","17.5892","0.0004","15.9899","0.0004","11.2183","0.0003","90","","102.022","0.002","90","","3085.94","0.13","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C26 H34 B4 Mo2 O6 Ru2 -","- C26 H34 B4 Mo2 O6 Ru2 -","- C104 H136 B16 Mo8 O24 Ru8 -","4","0.5","","Mondal, Bijan; Bhattacharyya, Moulika; Varghese, Babu; Ghosh, Sundargopal","Hypo-electronic triple-decker sandwich complexes: synthesis and structural characterization of [(Cp*Mo)2{μ-η(6):η(6)-B4H4E-Ru(CO)3}] (E = S, Se, Te or Ru(CO)3 and Cp* = η(5)-C5Me5).","Dalton transactions (Cambridge, England : 2003)","2016","45","27","10999","11007","10.1039/c6dt01214k","","","1.54184","CuKα","","0.0319","0.0317","","","0.0882","0.0884","","","","","","1.071","","","","has coordinates","185400","2020-10-21","18:00:00",""
"7039406","11.6377","0.0002","15.759","0.0003","15.3447","0.0003","90","","94.016","0.001","90","","2807.29","0.09","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C23 H34 B4 Mo2 O3 Ru S -","- C23 H34 B4 Mo2 O3 Ru S -","- C92 H136 B16 Mo8 O12 Ru4 S4 -","4","1","","Mondal, Bijan; Bhattacharyya, Moulika; Varghese, Babu; Ghosh, Sundargopal","Hypo-electronic triple-decker sandwich complexes: synthesis and structural characterization of [(Cp*Mo)2{μ-η(6):η(6)-B4H4E-Ru(CO)3}] (E = S, Se, Te or Ru(CO)3 and Cp* = η(5)-C5Me5).","Dalton transactions (Cambridge, England : 2003)","2016","45","27","10999","11007","10.1039/c6dt01214k","","","0.71073","MoKα","","0.0383","0.0277","","","0.0593","0.0643","","","","","","1.025","","","","has coordinates","185400","2020-10-21","18:00:00",""
"7039407","11.6583","0.0003","15.8237","0.0003","15.3209","0.0003","90","","93.8254","0.001","90","","2820.06","0.11","296","2","296","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C23 H34 B4 Mo2 O3 Ru Se -","- C23 H34 B4 Mo2 O3 Ru Se -","- C92 H136 B16 Mo8 O12 Ru4 Se4 -","4","1","","Mondal, Bijan; Bhattacharyya, Moulika; Varghese, Babu; Ghosh, Sundargopal","Hypo-electronic triple-decker sandwich complexes: synthesis and structural characterization of [(Cp*Mo)2{μ-η(6):η(6)-B4H4E-Ru(CO)3}] (E = S, Se, Te or Ru(CO)3 and Cp* = η(5)-C5Me5).","Dalton transactions (Cambridge, England : 2003)","2016","45","27","10999","11007","10.1039/c6dt01214k","","","0.71073","MoKα","","0.0437","0.0367","","","0.0914","0.0947","","","","","","1.13","","","","has coordinates","185400","2020-10-21","18:00:00",""
"7039408","11.7257","0.0009","16.0144","0.0011","15.2907","0.0011","90","","93.207","0.001","90","","2866.8","0.4","296","2","296","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C23 H34 B4 Mo2 O3 Ru Te -","- C23 H34 B4 Mo2 O3 Ru Te -","- C92 H136 B16 Mo8 O12 Ru4 Te4 -","4","1","","Mondal, Bijan; Bhattacharyya, Moulika; Varghese, Babu; Ghosh, Sundargopal","Hypo-electronic triple-decker sandwich complexes: synthesis and structural characterization of [(Cp*Mo)2{μ-η(6):η(6)-B4H4E-Ru(CO)3}] (E = S, Se, Te or Ru(CO)3 and Cp* = η(5)-C5Me5).","Dalton transactions (Cambridge, England : 2003)","2016","45","27","10999","11007","10.1039/c6dt01214k","","","0.71073","MoKα","","0.0481","0.0332","","","0.0741","0.0847","","","","","","1.138","","","","has coordinates","185400","2020-10-21","18:00:00",""
"7039409","9.0862","0.0004","9.3122","0.0004","11.5175","0.0005","84.905","0.001","72.809","0.001","62.775","0.001","826.61","0.06","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","Tetranitratobis(2-acetylpyridylnicotinylhydrozone)dilead(II))","","- C13 H12 N6 O7 Pb -","- C13 H12 N6 O7 Pb -","- C26 H24 N12 O14 Pb2 -","2","1","","Mahmoudi, Ghodrat; Bauzá, Antonio; Amini, Mojtaba; Molins, Elies; Mague, Joel T.; Frontera, Antonio","On the importance of tetrel bonding interactions in lead(ii) complexes with (iso)nicotinohydrazide based ligands and several anions.","Dalton transactions (Cambridge, England : 2003)","2016","45","26","10708","10716","10.1039/c6dt01947a","","","0.71073","MoKα","","0.0198","0.0192","","","0.0484","0.0487","","","","","","1.079","","","","has coordinates","185350","2020-10-21","18:00:00",""
"7039410","5.834","0.007","8.133","0.004","14.8","0.004","85.65","0.04","81.87","0.1","70.41","0.07","654.6","0.9","293","2","293","2","","","","","","","synthesis as described","5","P -1","-P 1","2","","","","- C24 H18 N14 O2 Pb2 -","- C24 H18 N14 O2 Pb2 -","- C24 H18 N14 O2 Pb2 -","1","0.5","","Mahmoudi, Ghodrat; Bauzá, Antonio; Amini, Mojtaba; Molins, Elies; Mague, Joel T.; Frontera, Antonio","On the importance of tetrel bonding interactions in lead(ii) complexes with (iso)nicotinohydrazide based ligands and several anions.","Dalton transactions (Cambridge, England : 2003)","2016","45","26","10708","10716","10.1039/c6dt01947a","","x-ray","0.71073","MoKα","","0.055","0.0438","","","0.1073","0.1134","","","","","","1.084","","","","has coordinates","185350","2020-10-21","18:00:00",""
"7039411","8.0385","0.0012","16.069","0.002","13.0637","0.0019","90","","97.536","0.004","90","","1672.9","0.4","179","2","179","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C13 H12 I2 N4 O Pb -","- C13 H12 I2 N4 O Pb -","- C52 H48 I8 N16 O4 Pb4 -","4","1","","Mahmoudi, Ghodrat; Bauzá, Antonio; Amini, Mojtaba; Molins, Elies; Mague, Joel T.; Frontera, Antonio","On the importance of tetrel bonding interactions in lead(ii) complexes with (iso)nicotinohydrazide based ligands and several anions.","Dalton transactions (Cambridge, England : 2003)","2016","45","26","10708","10716","10.1039/c6dt01947a","","","0.71073","MoKα","","0.0507","0.0332","","","0.0731","0.0795","","","","","","1.034","","","","has coordinates","185350","2020-10-21","18:00:00",""
"7039412","7.4569","0.0015","13.319","0.003","15.894","0.004","90","","98.541","0.007","90","","1561.1","0.6","300","2","300","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C15 H14 N4 O3 Pb -","- C15 H14 N4 O3 Pb -","- C60 H56 N16 O12 Pb4 -","4","1","","Mahmoudi, Ghodrat; Bauzá, Antonio; Amini, Mojtaba; Molins, Elies; Mague, Joel T.; Frontera, Antonio","On the importance of tetrel bonding interactions in lead(ii) complexes with (iso)nicotinohydrazide based ligands and several anions.","Dalton transactions (Cambridge, England : 2003)","2016","45","26","10708","10716","10.1039/c6dt01947a","","","0.71073","MoKα","","0.056","0.0308","","","0.0704","0.0963","","","","","","1.065","","","","has coordinates","185350","2020-10-21","18:00:00",""
"7039413","15.899","0.0009","18.8362","0.0011","13.9557","0.0008","90","","90","","90","","4179.4","0.4","296","2","296","2","","","","","","","","5","C 2 2 21","C 2c 2","20","","","","- C24 H28 K4 Ni6 O36 -","- C24 H28 K4 Ni6 O36 -","- C96 H112 K16 Ni24 O144 -","4","0.5","","Li, Teng; Wang, Yanyan; Qin, Lei; Han, Tian; Ding, You-Song; Hu, Yue-Qiao; Zheng, Yan-Zhen","Construction of magnet-type coordination polymers using high-spin {Ni4}-citrate cubane as secondary building units.","Dalton transactions (Cambridge, England : 2003)","2016","45","26","10798","10806","10.1039/c6dt01405d","","","0.71073","MoKα","","0.017","0.0168","","","0.047","0.0471","","","","","","1.072","","","","has coordinates,has disorder","185356","2020-10-21","18:00:00",""
"7039414","41.275","0.004","13.1665","0.0012","24.798","0.002","90","","90","","90","","13476","2","100","2","100","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C72 H89 K14 Ni17 O117 -","- C72 H89 K14 Ni17 O117 -","- C288 H356 K56 Ni68 O468 -","4","0.5","","Li, Teng; Wang, Yanyan; Qin, Lei; Han, Tian; Ding, You-Song; Hu, Yue-Qiao; Zheng, Yan-Zhen","Construction of magnet-type coordination polymers using high-spin {Ni4}-citrate cubane as secondary building units.","Dalton transactions (Cambridge, England : 2003)","2016","45","26","10798","10806","10.1039/c6dt01405d","","","0.71073","MoKα","","0.0871","0.0788","","","0.1679","0.1719","","","","","","1.148","","","","has coordinates,has disorder","185356","2020-10-21","18:00:00",""
"7039415","13.0462","0.0006","14.7766","0.0007","22.388","0.0011","101.796","0.001","106.077","0.001","96.109","0.001","3998.1","0.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C48 H66 K8 Ni12 O73 -","- C48 H60 K8 Ni12 O73 -","- C96 H120 K16 Ni24 O146 -","2","1","","Li, Teng; Wang, Yanyan; Qin, Lei; Han, Tian; Ding, You-Song; Hu, Yue-Qiao; Zheng, Yan-Zhen","Construction of magnet-type coordination polymers using high-spin {Ni4}-citrate cubane as secondary building units.","Dalton transactions (Cambridge, England : 2003)","2016","45","26","10798","10806","10.1039/c6dt01405d","","","0.71073","MoKα","","0.0595","0.0505","","","0.1262","0.1321","","","","","","1.072","","","","has coordinates,has disorder","185356","2020-10-21","18:00:00",""
"7039416","12.392","0.005","22.83","0.01","23.802","0.01","90","","90","","90","","6734","5","293","2","293","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C32 H86 B40 Co2 O13 -","- C32 H86 B40 Co2 O13 -","- C128 H344 B160 Co8 O52 -","4","0.5","","Fontanet, Mònica; Rodríguez, Montserrat; Fontrodona, Xavier; Romero, Isabel; Teixidor, Francesc; Viñas, Clara; Aliaga-Alcalde, Núria","Carving a 1D Co(II)-carboranylcarboxylate system by using organic solvents to create stable trinuclear molecular analogues: complete structural and magnetic studies.","Dalton transactions (Cambridge, England : 2003)","2016","45","27","10916","10927","10.1039/c6dt01744d","","","0.71073","MoKα","","0.0983","0.0636","","","0.1888","0.2183","","","","","","1.034","","","","has coordinates","185392","2020-10-21","18:00:00",""
"7039417","14.42","0.009","14.806","0.01","15.656","0.01","63.006","0.012","73.533","0.013","67.443","0.011","2726","3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C48 H146 B60 Co3 O22 -","- C32 H106 B60 Co3 O18 -","- C32 H106 B60 Co3 O18 -","1","0.5","","Fontanet, Mònica; Rodríguez, Montserrat; Fontrodona, Xavier; Romero, Isabel; Teixidor, Francesc; Viñas, Clara; Aliaga-Alcalde, Núria","Carving a 1D Co(II)-carboranylcarboxylate system by using organic solvents to create stable trinuclear molecular analogues: complete structural and magnetic studies.","Dalton transactions (Cambridge, England : 2003)","2016","45","27","10916","10927","10.1039/c6dt01744d","","","0.71073","MoKα","","0.245","0.1006","","","0.2177","0.2687","","","","","","0.768","","","","has coordinates","185392","2020-10-21","18:00:00",""
"7039418","11.411","0.0015","19.573","0.003","17.749","0.002","90","","93.323","0.006","90","","3957.5","0.9","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C40 H62 Li2 N2 O2 -","- C40 H62 Li2 N2 O2 -","- C160 H248 Li8 N8 O8 -","4","1","","Janes, Trevor; Xu, Maotong; Song, Datong","Synthesis and reactivity of Li and TaMe3 complexes supported by N,N'-bis(2,6-diisopropylphenyl)-o-phenylenediamido ligands.","Dalton transactions (Cambridge, England : 2003)","2016","45","26","10672","10680","10.1039/c6dt01908k","","","0.71073","MoKα","","0.1088","0.0579","","","0.1525","0.1884","","","","","","1.01","","","","has coordinates,has disorder","185342","2020-10-21","18:00:00",""
"7039419","10.617","0.0019","17.966","0.003","16.185","0.003","90","","98.038","0.007","90","","3056.9","0.9","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C33 H47 N2 Ta -","- C33 H47 N2 Ta -","- C132 H188 N8 Ta4 -","4","1","","Janes, Trevor; Xu, Maotong; Song, Datong","Synthesis and reactivity of Li and TaMe3 complexes supported by N,N'-bis(2,6-diisopropylphenyl)-o-phenylenediamido ligands.","Dalton transactions (Cambridge, England : 2003)","2016","45","26","10672","10680","10.1039/c6dt01908k","","","0.71073","MoKα","","0.0441","0.029","","","0.0683","0.0889","","","","","","1.128","","","","has coordinates,has disorder","185342","2020-10-21","18:00:00",""
"7039420","11.0302","0.0004","23.2106","0.0008","17.0382","0.0007","90","","108.606","0.0015","90","","4134.1","0.3","150","2","150","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C41 H66 Cl Li N2 O2 Ta -","- C41 H66 Cl Li N2 O2 Ta -","- C164 H264 Cl4 Li4 N8 O8 Ta4 -","4","1","","Janes, Trevor; Xu, Maotong; Song, Datong","Synthesis and reactivity of Li and TaMe3 complexes supported by N,N'-bis(2,6-diisopropylphenyl)-o-phenylenediamido ligands.","Dalton transactions (Cambridge, England : 2003)","2016","45","26","10672","10680","10.1039/c6dt01908k","","","0.71073","MoKα","","0.0339","0.0233","","","0.0577","0.0799","","","","","","1.183","","","","has coordinates,has disorder","185342","2020-10-21","18:00:00",""
"7039421","14.1372","0.0015","15.1014","0.0015","20.108","0.002","90","","96.647","0.004","90","","4264","0.8","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C46 H69 N4 Ta -","- C46 H69 N4 Ta -","- C184 H276 N16 Ta4 -","4","1","","Janes, Trevor; Xu, Maotong; Song, Datong","Synthesis and reactivity of Li and TaMe3 complexes supported by N,N'-bis(2,6-diisopropylphenyl)-o-phenylenediamido ligands.","Dalton transactions (Cambridge, England : 2003)","2016","45","26","10672","10680","10.1039/c6dt01908k","","","0.71073","MoKα","","0.0893","0.0407","","","0.0839","0.099","","","","","","0.956","","","","has coordinates","185342","2020-10-21","18:00:00",""
"7039422","21.192","0.0016","18.2269","0.0012","21.3088","0.0016","90","","90","","90","","8230.8","1","150","2","150","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C42 H66 Li N2 O2 Ta -","- C42 H66 Li N2 O2 Ta -","- C336 H528 Li8 N16 O16 Ta8 -","8","1","","Janes, Trevor; Xu, Maotong; Song, Datong","Synthesis and reactivity of Li and TaMe3 complexes supported by N,N'-bis(2,6-diisopropylphenyl)-o-phenylenediamido ligands.","Dalton transactions (Cambridge, England : 2003)","2016","45","26","10672","10680","10.1039/c6dt01908k","","","0.71073","MoKα","","0.0647","0.0318","","","0.0797","0.116","","","","","","1.15","","","","has coordinates,has disorder","185342","2020-10-21","18:00:00",""
"7039423","8.9697","0.0004","21.8449","0.0008","17.0042","0.0007","90","","94.395","0.002","90","","3322","0.2","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C36 H51.4 Li N2 O -","- C36 H51.4 Li N2 O -","- C144 H205.6 Li4 N8 O4 -","4","1","","Janes, Trevor; Xu, Maotong; Song, Datong","Synthesis and reactivity of Li and TaMe3 complexes supported by N,N'-bis(2,6-diisopropylphenyl)-o-phenylenediamido ligands.","Dalton transactions (Cambridge, England : 2003)","2016","45","26","10672","10680","10.1039/c6dt01908k","","","0.71073","MoKα","","0.0865","0.0623","","","0.1718","0.1896","","","","","","1.04","","","","has coordinates,has disorder","185342","2020-10-21","18:00:00",""
"7039424","10.4591","0.0008","12.8533","0.001","16.2426","0.0013","69.066","0.003","82.852","0.004","76.536","0.003","1981.3","0.3","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C42 H58 N5 Ta -","- C42 H58 N5 Ta -","- C84 H116 N10 Ta2 -","2","1","","Janes, Trevor; Xu, Maotong; Song, Datong","Synthesis and reactivity of Li and TaMe3 complexes supported by N,N'-bis(2,6-diisopropylphenyl)-o-phenylenediamido ligands.","Dalton transactions (Cambridge, England : 2003)","2016","45","26","10672","10680","10.1039/c6dt01908k","","","0.71073","MoKα","","0.0257","0.0209","","","0.0482","0.0499","","","","","","1.04","","","","has coordinates","185342","2020-10-21","18:00:00",""
"7039425","15.9017","0.0005","19.548","0.0004","22.0555","0.0005","90","","92.262","0.0011","90","","6850.5","0.3","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C64 H88 N4 Ta2 -","- C64 H88 N4 Ta2 -","- C256 H352 N16 Ta8 -","4","1","","Janes, Trevor; Xu, Maotong; Song, Datong","Synthesis and reactivity of Li and TaMe3 complexes supported by N,N'-bis(2,6-diisopropylphenyl)-o-phenylenediamido ligands.","Dalton transactions (Cambridge, England : 2003)","2016","45","26","10672","10680","10.1039/c6dt01908k","","","0.71073","MoKα","","0.0595","0.0356","","","0.0791","0.0853","","","","","","0.933","","","","has coordinates,has disorder","185342","2020-10-21","18:00:00",""
"7039426","10.8034","0.0007","27.6688","0.0019","17.1421","0.0012","90","","98.503","0.002","90","","5067.7","0.6","149","2","149","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C46 H78 K2 N2 O8 -","- C46 H78 K2 N2 O8 -","- C184 H312 K8 N8 O32 -","4","1","","Janes, Trevor; Xu, Maotong; Song, Datong","Synthesis and reactivity of Li and TaMe3 complexes supported by N,N'-bis(2,6-diisopropylphenyl)-o-phenylenediamido ligands.","Dalton transactions (Cambridge, England : 2003)","2016","45","26","10672","10680","10.1039/c6dt01908k","","","0.71073","MoKα","","0.0714","0.0519","","","0.1423","0.1597","","","","","","1.038","","","","has coordinates,has disorder","185342","2020-10-21","18:00:00",""
"7039427","10.7816","0.0003","17.0803","0.0004","14.4528","0.0004","90","","93.745","0.001","90","","2655.84","0.12","200","2","200","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","1b","","","- C28 H15 B F15 N -","- C28 H15 B F15 N -","- C112 H60 B4 F60 N4 -","4","1","","Antiñolo, Antonio; Carrillo-Hermosilla, Fernando; Fernández-Galán, Rafael; Martínez-Ferrer, Jaime; Alonso-Moreno, Carlos; Bravo, Iván; Moreno-Blázquez, Sonia; Salgado, Manuel; Villaseñor, Elena; Albaladejo, José","Tris(pentafluorophenyl)borane as an efficient catalyst in the guanylation reaction of amines.","Dalton transactions (Cambridge, England : 2003)","2016","45","26","10717","10729","10.1039/c6dt01237j","","","0.71073","","","0.0618","0.0483","","","0.1378","0.157","","","","","","1.016","","","","has coordinates","185343","2020-10-21","18:00:00",""
"7039428","10.9239","0.0007","19.219","0.0011","14.3968","0.0009","90","","93.539","0.003","90","","3016.8","0.3","110","2","110","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","2a","","","- C31 H21 B F15 N3 -","- C31 H21 B F15 N3 -","- C124 H84 B4 F60 N12 -","4","1","","Antiñolo, Antonio; Carrillo-Hermosilla, Fernando; Fernández-Galán, Rafael; Martínez-Ferrer, Jaime; Alonso-Moreno, Carlos; Bravo, Iván; Moreno-Blázquez, Sonia; Salgado, Manuel; Villaseñor, Elena; Albaladejo, José","Tris(pentafluorophenyl)borane as an efficient catalyst in the guanylation reaction of amines.","Dalton transactions (Cambridge, England : 2003)","2016","45","26","10717","10729","10.1039/c6dt01237j","","","0.71073","","","0.042","0.0311","","","0.0833","0.0942","","","","","","1.001","","","","has coordinates","185343","2020-10-21","18:00:00",""
"7039429","14.1014","0.0005","11.3796","0.0005","8.704","0.0004","90","","107.869","0.002","90","","1329.34","0.1","210","2","210","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","3a","","","- C13 H21 N3 -","- C13 H21 N3 -","- C52 H84 N12 -","4","1","","Antiñolo, Antonio; Carrillo-Hermosilla, Fernando; Fernández-Galán, Rafael; Martínez-Ferrer, Jaime; Alonso-Moreno, Carlos; Bravo, Iván; Moreno-Blázquez, Sonia; Salgado, Manuel; Villaseñor, Elena; Albaladejo, José","Tris(pentafluorophenyl)borane as an efficient catalyst in the guanylation reaction of amines.","Dalton transactions (Cambridge, England : 2003)","2016","45","26","10717","10729","10.1039/c6dt01237j","","","0.71073","","","0.0484","0.035","","","0.0957","0.1189","","","","","","1.013","","","","has coordinates","185343","2020-10-21","18:00:00",""
"7039430","8.0413","0.0002","13.2675","0.0004","18.7584","0.0006","85.203","0.003","83.566","0.002","74.151","0.003","1910.14","0.1","143","2","143.1","1","","","","","","","","6","P -1","-P 1","2","","","","- C31 H46 Cu F3 N5 O15.8 -","- C31 H46 Cu F3 N5 O15.8 -","- C62 H92 Cu2 F6 N10 O31.6 -","2","1","","Xiao, Ying; Wang, Qing; Huang, Yanmei; Ma, Xiangling; Xiong, Xinnuo; Li, Hui","Synthesis, structure, and biological evaluation of a copper(ii) complex with fleroxacin and 1,10-phenanthroline.","Dalton transactions (Cambridge, England : 2003)","2016","45","27","10928","10935","10.1039/c6dt00915h","","","0.71073","MoKα","","0.0503","0.0387","","","0.0916","0.0968","","","","","","1.03","","","","has coordinates,has disorder","185397","2020-10-21","18:00:00",""
"7039431","17.2206","0.0006","26.5314","0.0012","26.948","0.001","90","","103.886","0.004","90","","11952.4","0.8","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C110 H156 Li6 N2 O19 -","- C110 H156 Li6 N2 O19 -","- C440 H624 Li24 N8 O76 -","4","0.5","","Duan, Yu-Lai; He, Jia-Xuan; Wang, Wei; Zhou, Jing-Jing; Huang, Yong; Yang, Ying","Synthesis and characterization of dinuclear rare-earth complexes supported by amine-bridged bis(phenolate) ligands and their catalytic activity for the ring-opening polymerization of l-lactide.","Dalton transactions (Cambridge, England : 2003)","2016","45","26","10807","10820","10.1039/c6dt01486k","","","0.71073","MoKα","","0.1321","0.0959","","","0.186","0.1976","","","","","","1.01","","","","has coordinates,has disorder","185354","2020-10-21","18:00:00",""
"7039432","14.4356","0.0015","14.4633","0.0009","14.5921","0.0015","63.623","0.008","61.725","0.011","89.512","0.007","2323.7","0.5","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C88 H126 La2 N2 O13 -","- C88 H126 La2 N2 O13 -","- C88 H126 La2 N2 O13 -","1","0.5","","Duan, Yu-Lai; He, Jia-Xuan; Wang, Wei; Zhou, Jing-Jing; Huang, Yong; Yang, Ying","Synthesis and characterization of dinuclear rare-earth complexes supported by amine-bridged bis(phenolate) ligands and their catalytic activity for the ring-opening polymerization of l-lactide.","Dalton transactions (Cambridge, England : 2003)","2016","45","26","10807","10820","10.1039/c6dt01486k","","","0.71073","MoKα","","0.0626","0.0527","","","0.1339","0.1388","","","","","","1.006","","","","has coordinates,has disorder","185354","2020-10-21","18:00:00",""
"7039433","14.5186","0.0006","14.5365","0.0006","14.6986","0.0007","116.671","0.005","90.548","0.004","119.262","0.005","2311.7","0.3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C86 H122 Cl4 N2 Nd2 O13 -","- C86 H122 Cl4 N2 Nd2 O13 -","- C86 H122 Cl4 N2 Nd2 O13 -","1","0.5","","Duan, Yu-Lai; He, Jia-Xuan; Wang, Wei; Zhou, Jing-Jing; Huang, Yong; Yang, Ying","Synthesis and characterization of dinuclear rare-earth complexes supported by amine-bridged bis(phenolate) ligands and their catalytic activity for the ring-opening polymerization of l-lactide.","Dalton transactions (Cambridge, England : 2003)","2016","45","26","10807","10820","10.1039/c6dt01486k","","","0.71073","MoKα","","0.0489","0.0478","","","0.1277","0.1282","","","","","","1.002","","","","has coordinates,has disorder","185354","2020-10-21","18:00:00",""
"7039434","14.5079","0.0006","14.6548","0.0005","14.7086","0.0005","93.544","0.003","105.338","0.003","119.336","0.004","2560","0.2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C88 H106 Cl8 N2 O12 Sm2 -","- C88 H106 Cl8 N2 O12 Sm2 -","- C88 H106 Cl8 N2 O12 Sm2 -","1","0.5","","Duan, Yu-Lai; He, Jia-Xuan; Wang, Wei; Zhou, Jing-Jing; Huang, Yong; Yang, Ying","Synthesis and characterization of dinuclear rare-earth complexes supported by amine-bridged bis(phenolate) ligands and their catalytic activity for the ring-opening polymerization of l-lactide.","Dalton transactions (Cambridge, England : 2003)","2016","45","26","10807","10820","10.1039/c6dt01486k","","","0.71073","MoKα","","0.0725","0.0569","","","0.1228","0.1297","","","","","","1.017","","","","has coordinates,has disorder","185354","2020-10-21","18:00:00",""
"7039435","11.2994","0.0002","17.644","0.0003","27.365","0.0005","90","","98.905","0.0017","90","","5389.91","0.17","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C88 H140 Cl16 Gd2 N2 O12 -","- C88 H140 Cl16 Gd2 N2 O12 -","- C176 H280 Cl32 Gd4 N4 O24 -","2","0.5","","Duan, Yu-Lai; He, Jia-Xuan; Wang, Wei; Zhou, Jing-Jing; Huang, Yong; Yang, Ying","Synthesis and characterization of dinuclear rare-earth complexes supported by amine-bridged bis(phenolate) ligands and their catalytic activity for the ring-opening polymerization of l-lactide.","Dalton transactions (Cambridge, England : 2003)","2016","45","26","10807","10820","10.1039/c6dt01486k","","","0.71073","MoKα","","0.0514","0.0395","","","0.0965","0.1031","","","","","","1.002","","","","has coordinates,has disorder","185354","2020-10-21","18:00:00",""
"7039436","15.6275","0.0007","16.6149","0.0005","17.982","0.0006","90","","107.27","0.004","90","","4458.5","0.3","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C82 H124 Cl4 N2 O12 Y2 -","- C82 H124 Cl4 N2 O12 Y2 -","- C164 H248 Cl8 N4 O24 Y4 -","2","0.5","","Duan, Yu-Lai; He, Jia-Xuan; Wang, Wei; Zhou, Jing-Jing; Huang, Yong; Yang, Ying","Synthesis and characterization of dinuclear rare-earth complexes supported by amine-bridged bis(phenolate) ligands and their catalytic activity for the ring-opening polymerization of l-lactide.","Dalton transactions (Cambridge, England : 2003)","2016","45","26","10807","10820","10.1039/c6dt01486k","","","0.71073","MoKα","","0.099","0.0685","","","0.1591","0.1712","","","","","","1.002","","","","has coordinates,has disorder","185354","2020-10-21","18:00:00",""
"7039437","14.2283","0.0002","20.9939","0.0003","20.9045","0.0003","90","","92.0547","0.0013","90","","6240.32","0.15","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C138 H170 La2 N2 O16 -","- C138 H170 La2 N2 O16 -","- C276 H340 La4 N4 O32 -","2","0.5","","Duan, Yu-Lai; He, Jia-Xuan; Wang, Wei; Zhou, Jing-Jing; Huang, Yong; Yang, Ying","Synthesis and characterization of dinuclear rare-earth complexes supported by amine-bridged bis(phenolate) ligands and their catalytic activity for the ring-opening polymerization of l-lactide.","Dalton transactions (Cambridge, England : 2003)","2016","45","26","10807","10820","10.1039/c6dt01486k","","","0.71073","MoKα","","0.0658","0.0528","","","0.1286","0.136","","","","","","1.023","","","","has coordinates","185354","2020-10-21","18:00:00",""
"7039438","14.1627","0.0005","20.6272","0.0005","21.0099","0.0005","90","","91.863","0.003","90","","6134.5","0.3","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C130 H144 Cl6 N2 Nd2 O12 -","- C130 H144 Cl6 N2 Nd2 O12 -","- C260 H288 Cl12 N4 Nd4 O24 -","2","0.5","","Duan, Yu-Lai; He, Jia-Xuan; Wang, Wei; Zhou, Jing-Jing; Huang, Yong; Yang, Ying","Synthesis and characterization of dinuclear rare-earth complexes supported by amine-bridged bis(phenolate) ligands and their catalytic activity for the ring-opening polymerization of l-lactide.","Dalton transactions (Cambridge, England : 2003)","2016","45","26","10807","10820","10.1039/c6dt01486k","","","0.71073","MoKα","","0.0969","0.063","","","0.1437","0.1619","","","","","","1.003","","","","has coordinates,has disorder","185354","2020-10-21","18:00:00",""
"7039439","14.2394","0.0003","20.6553","0.0004","20.9507","0.0005","90","","91.8083","0.0016","90","","6158.9","0.2","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C136 H144 Cl5 N2 O12 Sm2 -","- C136 H144 Cl5 N2 O12 Sm2 -","- C272 H288 Cl10 N4 O24 Sm4 -","2","0.5","","Duan, Yu-Lai; He, Jia-Xuan; Wang, Wei; Zhou, Jing-Jing; Huang, Yong; Yang, Ying","Synthesis and characterization of dinuclear rare-earth complexes supported by amine-bridged bis(phenolate) ligands and their catalytic activity for the ring-opening polymerization of l-lactide.","Dalton transactions (Cambridge, England : 2003)","2016","45","26","10807","10820","10.1039/c6dt01486k","","","0.71073","MoKα","","0.0941","0.0667","","","0.1508","0.1667","","","","","","1.035","","","","has coordinates","185354","2020-10-21","18:00:00",""
"7039440","14.2203","0.0003","20.6182","0.0003","20.8807","0.0003","90","","91.8065","0.0015","90","","6119.12","0.18","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C132 H138 Cl6 Gd2 N2 O12 -","- C132 H138 Cl6 Gd2 N2 O12 -","- C264 H276 Cl12 Gd4 N4 O24 -","2","0.5","","Duan, Yu-Lai; He, Jia-Xuan; Wang, Wei; Zhou, Jing-Jing; Huang, Yong; Yang, Ying","Synthesis and characterization of dinuclear rare-earth complexes supported by amine-bridged bis(phenolate) ligands and their catalytic activity for the ring-opening polymerization of l-lactide.","Dalton transactions (Cambridge, England : 2003)","2016","45","26","10807","10820","10.1039/c6dt01486k","","","0.71073","MoKα","","0.058","0.0436","","","0.1068","0.1154","","","","","","1.008","","","","has coordinates,has disorder","185354","2020-10-21","18:00:00",""
"7039441","14.2115","0.0004","20.6791","0.0007","20.7108","0.0006","90","","91.508","0.003","90","","6084.4","0.3","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C142 H135 N2 O16 Y2 -","- C142 H135 N2 O16 Y2 -","- C284 H270 N4 O32 Y4 -","2","0.5","","Duan, Yu-Lai; He, Jia-Xuan; Wang, Wei; Zhou, Jing-Jing; Huang, Yong; Yang, Ying","Synthesis and characterization of dinuclear rare-earth complexes supported by amine-bridged bis(phenolate) ligands and their catalytic activity for the ring-opening polymerization of l-lactide.","Dalton transactions (Cambridge, England : 2003)","2016","45","26","10807","10820","10.1039/c6dt01486k","","","0.71073","MoKα","","0.133","0.0755","","","0.1326","0.15","","","","","","1.01","","","","has coordinates,has disorder","185354","2020-10-21","18:00:00",""
"7039442","30.3307","0.0009","14.8817","0.0004","28.1672","0.0007","90","","108.965","0.003","90","","12023.8","0.6","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C127 H156 La2 N2 O16 -","- C127 H156 La2 N2 O16 -","- C508 H624 La8 N8 O64 -","4","0.5","","Duan, Yu-Lai; He, Jia-Xuan; Wang, Wei; Zhou, Jing-Jing; Huang, Yong; Yang, Ying","Synthesis and characterization of dinuclear rare-earth complexes supported by amine-bridged bis(phenolate) ligands and their catalytic activity for the ring-opening polymerization of l-lactide.","Dalton transactions (Cambridge, England : 2003)","2016","45","26","10807","10820","10.1039/c6dt01486k","","","0.71073","MoKα","","0.0569","0.0414","","","0.1154","0.1289","","","","","","1.004","","","","has coordinates,has disorder","185354","2020-10-21","18:00:00",""
"7039443","10.823","0.002","20.388","0.004","24.414","0.005","83.518","0.004","82.033","0.004","78.424","0.004","5206.5","1.8","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C42 H52 Fe N7 O2 S6 -","- C42 H52 Fe N7 O2 S6 -","- C168 H208 Fe4 N28 O8 S24 -","4","2","","Cui, Long; Lv, Zhong-Peng; Leong, Chanel F.; Ru, Jing; D'Alessandro, Deanna M; Song, You; Zuo, Jing-Lin","Chiral heterobimetallic chains from a dicyanideferrite building block including a π-conjugated TTF annulated ligand.","Dalton transactions (Cambridge, England : 2003)","2016","45","42","16575","16584","10.1039/c6dt01756h","","","0.71073","MoKα","","0.1464","0.0674","","","0.1755","0.1968","","","","","","0.953","","","","has coordinates","188227","2020-10-21","18:00:00",""
"7039444","10.5901","0.0015","13.2993","0.0019","21.701","0.003","97.5","0.003","93.232","0.002","94.499","0.003","3014","0.7","296","2","296","2","","","","","","","","7","P 1","P 1","1","","","","- C54 H38 Fe Mn N8 O4 S6 -","- C54 H38 Fe Mn N8 O4 S6 -","- C108 H76 Fe2 Mn2 N16 O8 S12 -","2","2","","Cui, Long; Lv, Zhong-Peng; Leong, Chanel F.; Ru, Jing; D'Alessandro, Deanna M; Song, You; Zuo, Jing-Lin","Chiral heterobimetallic chains from a dicyanideferrite building block including a π-conjugated TTF annulated ligand.","Dalton transactions (Cambridge, England : 2003)","2016","45","42","16575","16584","10.1039/c6dt01756h","","","0.71073","MoKα","","0.1579","0.1338","","","0.3477","0.3758","","","","","","1.499","","","","has coordinates","188227","2020-10-21","18:00:00",""
"7039445","12.257","0.002","5.8076","0.0011","24.211","0.005","90","","90.384","0.003","90","","1723.4","0.6","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","PPD","","- C10 H24 Cl2 N2 O4 Pt -","- C10 H24 Cl2 N2 O4 Pt -","- C40 H96 Cl8 N8 O16 Pt4 -","4","1","","Muhammad, Nafees; Wang, Xiaoyong; Wang, Kun; Zhu, Chengcheng; Zhu, Zhenzhu; Jiao, Yang; Guo, Zijian","Dual-drug loaded nanoformulation with a galactosamine homing moiety for liver-targeted anticancer therapy.","Dalton transactions (Cambridge, England : 2003)","2016","45","33","13169","13178","10.1039/c6dt01434h","","","0.71073","MoKα","","0.1","0.0912","","","0.2564","0.2657","","","","","","1.142","","","","has coordinates,has disorder","186419","2020-10-21","18:00:00",""
"7039446","12.8071","0.0012","12.9113","0.0012","13.6042","0.0013","77.174","0.002","80.568","0.002","83.53","0.002","2156.9","0.4","173","2","173","2","","","","","","","synthesis as described","6","P -1","-P 1","2","","","","- C35 H48 Cu4 I4 N S3 -","- C35 H48 Cu4 I4 N S3 -","- C70 H96 Cu8 I8 N2 S6 -","2","1","","Bonnot, Antoine; Juvenal, Frank; Lapprand, Anthony; Fortin, Daniel; Knorr, Michael; Harvey, Pierre D.","Can a highly flexible copper(i) cluster-containing 1D and 2D coordination polymers exhibit MOF-like properties?","Dalton transactions (Cambridge, England : 2003)","2016","45","28","11413","11421","10.1039/c6dt01375a","","x-ray","0.71073","MoKα","","0.0237","0.0189","","","0.0429","0.0441","","","","","","1.05","","","","has coordinates","185498","2020-10-21","18:00:00",""
"7039447","12.773","0.002","13.042","0.002","13.81","0.002","76.503","0.003","78.2","0.003","83.064","0.003","2183.3","0.6","173","2","173","2","","","","","","","synthesis as described","6","P -1","-P 1","2","","","","- C36 H50 Cu4 I4 N S3 -","- C36 H50 Cu4 I4 N S3 -","- C72 H100 Cu8 I8 N2 S6 -","2","1","","Bonnot, Antoine; Juvenal, Frank; Lapprand, Anthony; Fortin, Daniel; Knorr, Michael; Harvey, Pierre D.","Can a highly flexible copper(i) cluster-containing 1D and 2D coordination polymers exhibit MOF-like properties?","Dalton transactions (Cambridge, England : 2003)","2016","45","28","11413","11421","10.1039/c6dt01375a","","x-ray","0.71073","MoKα","","0.0233","0.0187","","","0.0407","0.0417","","","","","","1.083","","","","has coordinates","185498","2020-10-21","18:00:00",""
"7039448","10.0959","0.0005","11.0582","0.0004","17.7867","0.0006","81.355","0.003","76.325","0.003","79.091","0.004","1882.96","0.14","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H54 N6 P3 Sb -","- C30 H54 N6 P3 Sb -","- C60 H108 N12 P6 Sb2 -","2","1","","Zhao, Minggang; Wang, Lixia; Zhang, Xiang; Zheng, Wenjun","Paddlewheel 1,2,4-diazaphospholide distibines with the shortest antimony-antimony single bonds.","Dalton transactions (Cambridge, England : 2003)","2016","45","26","10505","10509","10.1039/c6dt02039a","","","0.71073","MoKα","","0.0544","0.0395","","","0.0712","0.0782","","","","","","1.052","","","","has coordinates,has disorder","185340","2020-10-21","18:00:00",""
"7039449","9.9007","0.0011","18.4778","0.001","10.4804","0.001","90","","114.866","0.012","90","","1739.6","0.3","153","2","153","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- C28 H52 Li2 N4 O2 P2 -","- C28 H52 Li2 N4 O2 P2 -","- C56 H104 Li4 N8 O4 P4 -","2","0.25","","Zhao, Minggang; Wang, Lixia; Zhang, Xiang; Zheng, Wenjun","Paddlewheel 1,2,4-diazaphospholide distibines with the shortest antimony-antimony single bonds.","Dalton transactions (Cambridge, England : 2003)","2016","45","26","10505","10509","10.1039/c6dt02039a","","","0.71073","MoKα","","0.0892","0.0633","","","0.1727","0.1914","","","","","","1.052","","","","has coordinates","212870","2020-10-21","18:00:00",""
"7039450","23.2715","0.0012","10.7778","0.0004","21.6431","0.0014","90","","114.457","0.007","90","","4941.3","0.5","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C40 H72 N8 P4 Sb2 -","- C40 H72 N8 P4 Sb2 -","- C160 H288 N32 P16 Sb8 -","4","1","","Zhao, Minggang; Wang, Lixia; Zhang, Xiang; Zheng, Wenjun","Paddlewheel 1,2,4-diazaphospholide distibines with the shortest antimony-antimony single bonds.","Dalton transactions (Cambridge, England : 2003)","2016","45","26","10505","10509","10.1039/c6dt02039a","","x-ray","0.71073","MoKα","","0.1455","0.0684","","","0.1349","0.1673","","","","","","1","","","","has coordinates","185340","2020-10-21","18:00:00",""
"7039451","10.4526","0.0006","13.8011","0.0009","15.2389","0.001","90.444","0.005","100.987","0.005","94.207","0.005","2151.7","0.2","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C32 H56 N8 P4 Sb2 -","- C32 H56 N8 P4 Sb2 -","- C64 H112 N16 P8 Sb4 -","2","1","","Zhao, Minggang; Wang, Lixia; Zhang, Xiang; Zheng, Wenjun","Paddlewheel 1,2,4-diazaphospholide distibines with the shortest antimony-antimony single bonds.","Dalton transactions (Cambridge, England : 2003)","2016","45","26","10505","10509","10.1039/c6dt02039a","","x-ray","0.71073","MoKα","","0.0862","0.0575","","","0.1425","0.166","","","","","","1.058","","","","has coordinates","211691","2020-10-21","18:00:00",""
"7039452","10.913","0.0003","11.8061","0.0003","16.0228","0.0004","102.33","0.002","106.292","0.002","104.337","0.002","1828.71","0.09","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C63 H96 N8 P4 Sb2 -","- C63 H96 N8 P4 Sb2 -","- C63 H96 N8 P4 Sb2 -","1","0.5","","Zhao, Minggang; Wang, Lixia; Zhang, Xiang; Zheng, Wenjun","Paddlewheel 1,2,4-diazaphospholide distibines with the shortest antimony-antimony single bonds.","Dalton transactions (Cambridge, England : 2003)","2016","45","26","10505","10509","10.1039/c6dt02039a","","x-ray","0.71073","MoKα","","0.0535","0.0423","","","0.1216","0.1307","","","","","","1.097","","","","has coordinates","185340","2020-10-21","18:00:00",""
"7039453","10.5218","0.0005","12.5407","0.0006","15.2414","0.0007","87.6054","0.0005","70.3495","0.0005","89.9268","0.0005","1892.16","0.15","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C40 H61 P3 Ru Si -","- C40 H61 P3 Ru Si -","- C80 H122 P6 Ru2 Si2 -","2","1","","MacInnis, Morgan C.; Ruddy, Adam J.; McDonald, Robert; Ferguson, Michael J.; Turculet, Laura","Synthesis and characterization of five-coordinate, 16-electron Ru(II) complexes supported by tridentate bis(phosphino)silyl ligation.","Dalton transactions (Cambridge, England : 2003)","2016","45","40","15850","15858","10.1039/c6dt01869f","","","0.71073","MoKα","","0.0243","0.0225","","","0.0633","0.0647","","","","","","1.071","","","","has coordinates","188207","2020-10-21","18:00:00",""
"7039454","22.5341","0.0009","22.5341","0.0009","17.3711","0.0007","90","","90","","90","","8820.8","0.6","173","2","173","2","","","","","","","","5","I -4 2 m","I -4 2","121","","","","- C44.38 H75.5 P3 Ru Si -","- C40 H65 P4 Ru Si -","- C320 H520 P32 Ru8 Si8 -","8","0.5","","MacInnis, Morgan C.; Ruddy, Adam J.; McDonald, Robert; Ferguson, Michael J.; Turculet, Laura","Synthesis and characterization of five-coordinate, 16-electron Ru(II) complexes supported by tridentate bis(phosphino)silyl ligation.","Dalton transactions (Cambridge, England : 2003)","2016","45","40","15850","15858","10.1039/c6dt01869f","","","0.71073","MoKα","","0.0282","0.0251","","","0.0607","0.0619","","","","","","1.058","","","","has coordinates,has disorder","188207","2020-10-21","18:00:00",""
"7039455","9.8037","0.0003","10.8919","0.0003","18.5073","0.0005","73.1497","0.0003","84.6217","0.0003","79.533","0.0003","1858.13","0.09","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C40 H60 P2 Ru Si -","- C40 H60 P2 Ru Si -","- C80 H120 P4 Ru2 Si2 -","2","1","","MacInnis, Morgan C.; Ruddy, Adam J.; McDonald, Robert; Ferguson, Michael J.; Turculet, Laura","Synthesis and characterization of five-coordinate, 16-electron Ru(II) complexes supported by tridentate bis(phosphino)silyl ligation.","Dalton transactions (Cambridge, England : 2003)","2016","45","40","15850","15858","10.1039/c6dt01869f","","","0.71073","MoKα","","0.0219","0.0202","","","0.0566","0.0626","","","","","","1.121","","","","has coordinates","188207","2020-10-21","18:00:00",""
"7039456","10.3984","0.0004","10.5102","0.0004","19.0001","0.0008","95.666","0.0005","92.3748","0.0005","102.171","0.0005","2015.78","0.14","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C40 H64 N3 P3 Ru Si -","- C40 H64 N3 P3 Ru Si -","- C80 H128 N6 P6 Ru2 Si2 -","2","1","","MacInnis, Morgan C.; Ruddy, Adam J.; McDonald, Robert; Ferguson, Michael J.; Turculet, Laura","Synthesis and characterization of five-coordinate, 16-electron Ru(II) complexes supported by tridentate bis(phosphino)silyl ligation.","Dalton transactions (Cambridge, England : 2003)","2016","45","40","15850","15858","10.1039/c6dt01869f","","","0.71073","MoKα","","0.0299","0.0252","","","0.0624","0.065","","","","","","1.041","","","","has coordinates","188207","2020-10-21","18:00:00",""
"7039457","10.3409","0.0005","10.502","0.0005","18.9852","0.0009","95.6088","0.0005","92.0827","0.0005","101.554","0.0005","2007.03","0.17","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C40 H64 Cl P3 Ru Si -","- C40 H64 Cl P3 Ru Si -","- C80 H128 Cl2 P6 Ru2 Si2 -","2","1","","MacInnis, Morgan C.; Ruddy, Adam J.; McDonald, Robert; Ferguson, Michael J.; Turculet, Laura","Synthesis and characterization of five-coordinate, 16-electron Ru(II) complexes supported by tridentate bis(phosphino)silyl ligation.","Dalton transactions (Cambridge, England : 2003)","2016","45","40","15850","15858","10.1039/c6dt01869f","","","0.71073","MoKα","","0.0229","0.0211","","","0.0539","0.0549","","","","","","1.041","","","","has coordinates","188207","2020-10-21","18:00:00",""
"7039458","10.2527","0.0005","6.6903","0.0003","12.3307","0.0006","90","","109.737","0.002","90","","796.12","0.07","100","2","100","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","Tolylpyridine methyl acetonitrile gold(III)","'[2-(4-tolyl)pyridine-κ^2^N,C^7^](acetonitrile-κN)methylgold(III) tetrafluoroborate'","","- C15 H16 Au B F4 N2 -","- C15 H16 Au B F4 N2 -","- C30 H32 Au2 B2 F8 N4 -","2","0.5","","Holmsen, Marte Sofie Martinsen; Nova, Ainara; Balcells, David; Langseth, Eirin; Øien-Ødegaard, Sigurd; Tråseth, Eline Aasen; Heyn, Richard H.; Tilset, Mats","Small-molecule activation at Au(iii): metallacycle construction from ethylene, water, and acetonitrile.","Dalton transactions (Cambridge, England : 2003)","2016","45","37","14719","14724","10.1039/c6dt01648k","","","0.71073","MoKα","","0.0229","0.0221","","","0.0504","0.0507","","","","","","1.016","","","","has coordinates,has disorder","187141","2020-10-21","18:00:00",""
"7039459","7.1906","0.0006","12.6491","0.001","19.396","0.0016","90","","89.9973","0.0016","90","","1764.2","0.2","100","2","100.01","","","","","","","","","6","P 1 1 21/n","-P 2n","14","","","","- C18 H18 Au F3 N2 O3 -","- C18 H18 Au F3 N2 O3 -","- C72 H72 Au4 F12 N8 O12 -","4","1","","Holmsen, Marte Sofie Martinsen; Nova, Ainara; Balcells, David; Langseth, Eirin; Øien-Ødegaard, Sigurd; Tråseth, Eline Aasen; Heyn, Richard H.; Tilset, Mats","Small-molecule activation at Au(iii): metallacycle construction from ethylene, water, and acetonitrile.","Dalton transactions (Cambridge, England : 2003)","2016","45","37","14719","14724","10.1039/c6dt01648k","","x-ray","0.71073","MoKα","","0.0214","0.0187","","","0.0415","0.0424","","","","","","1.05","","","","has coordinates","187141","2020-10-21","18:00:00",""
"7039460","16.847","0.003","16.642","0.003","24.017","0.005","90","","101.64","0.03","90","","6595","2","293","2","293","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C42 H28 La3 N21 O29 -","- C42 H28 La3 N21 O29 -","- C168 H112 La12 N84 O116 -","4","1","","Zhao, Qiang; Liu, Xiu-Ming; Li, Huan-Rong; Zhang, Ying-Hui; Bu, Xian-He","High-performance fluorescence sensing of lanthanum ions (La(3+)) by a polydentate pyridyl-based quinoxaline derivative.","Dalton transactions (Cambridge, England : 2003)","2016","45","26","10836","10841","10.1039/c6dt01161f","","","0.71073","MoKα","","0.1287","0.0833","","","0.1813","0.2018","","","","","","1.085","","","","has coordinates,has disorder","185346","2020-10-21","18:00:00",""
"7039461","12.5891","0.0013","8.9837","0.0009","27.262","0.003","90","","102.255","0.007","90","","3013","0.6","100","0.2","100","0.2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C9 H13 B9 O3 Ru -","- C9 H13 B9 O3 Ru -","- C72 H104 B72 O24 Ru8 -","8","1","","Powley, Samuel L.; Rosair, Georgina M.; Welch, Alan J.","Further studies of the Enhanced Structural Carborane Effect: tricarbonylruthenium and related derivatives of benzocarborane, dihydrobenzocarborane and biphenylcarborane.","Dalton transactions (Cambridge, England : 2003)","2016","45","29","11742","11752","10.1039/c6dt01888b","","","0.71073","MoKα","","0.0371","0.0279","","","0.0579","0.061","","","","","","1.038","","","","has coordinates,has disorder","185484","2020-10-21","18:00:00",""
"7039462","15.536","0.011","10.829","0.007","9.115","0.005","90","","90","","90","","1533.5","1.7","100","2","100","","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C9 H15 B9 O3 Ru -","- C9 H15 B9 O3 Ru -","- C36 H60 B36 O12 Ru4 -","4","0.5","","Powley, Samuel L.; Rosair, Georgina M.; Welch, Alan J.","Further studies of the Enhanced Structural Carborane Effect: tricarbonylruthenium and related derivatives of benzocarborane, dihydrobenzocarborane and biphenylcarborane.","Dalton transactions (Cambridge, England : 2003)","2016","45","29","11742","11752","10.1039/c6dt01888b","","","0.71073","MoKα","","0.0193","0.0175","","","0.0406","0.0412","","","","","","1.108","","","","has coordinates","185484","2020-10-21","18:00:00",""
"7039463","7.1484","0.0012","11.29","0.002","8.5139","0.0015","90","","95.39","0.007","90","","684.1","0.2","100","0.2","100","0.2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C8 H15 B9 O2 Ru -","- C8 H15 B9 O2 Ru -","- C16 H30 B18 O4 Ru2 -","2","1","","Powley, Samuel L.; Rosair, Georgina M.; Welch, Alan J.","Further studies of the Enhanced Structural Carborane Effect: tricarbonylruthenium and related derivatives of benzocarborane, dihydrobenzocarborane and biphenylcarborane.","Dalton transactions (Cambridge, England : 2003)","2016","45","29","11742","11752","10.1039/c6dt01888b","","","0.71073","MoKα","","0.0167","0.016","","","0.0347","0.0349","","","","","","1.032","","","","has coordinates","185484","2020-10-21","18:00:00",""
"7039464","7.671","0.006","13.332","0.01","9.525","0.008","90","","103.45","0.02","90","","947.4","1.3","100","","100","","","","","","","","","6","P 1 n 1","P -2yac","7","","","","- C11 H24 B9 O2 P Ru -","- C11 H24 B9 O2 P Ru -","- C22 H48 B18 O4 P2 Ru2 -","2","1","","Powley, Samuel L.; Rosair, Georgina M.; Welch, Alan J.","Further studies of the Enhanced Structural Carborane Effect: tricarbonylruthenium and related derivatives of benzocarborane, dihydrobenzocarborane and biphenylcarborane.","Dalton transactions (Cambridge, England : 2003)","2016","45","29","11742","11752","10.1039/c6dt01888b","","","0.71073","MoKα","","0.0408","0.0332","","","0.0532","0.0554","","","","","","1.012","","","","has coordinates","185484","2020-10-21","18:00:00",""
"7039465","7.8271","0.0004","15.8356","0.0007","7.9871","0.0004","90","","95.617","0.003","90","","985.22","0.08","100","","100","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C11 H24 B9 O5 P Ru -","- C11 H24 B9 O5 P Ru -","- C22 H48 B18 O10 P2 Ru2 -","2","1","","Powley, Samuel L.; Rosair, Georgina M.; Welch, Alan J.","Further studies of the Enhanced Structural Carborane Effect: tricarbonylruthenium and related derivatives of benzocarborane, dihydrobenzocarborane and biphenylcarborane.","Dalton transactions (Cambridge, England : 2003)","2016","45","29","11742","11752","10.1039/c6dt01888b","","","0.71073","MoKα","","0.0428","0.0399","","","0.0941","0.0952","","","","","","1.104","","","","has coordinates","185484","2020-10-21","18:00:00",""
"7039466","9.3786","0.0004","17.9449","0.0007","12.1827","0.0005","90","","102.484","0.002","90","","2001.85","0.14","200","","200","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C13 H24 B9 N O2 Ru -","- C13 H24 B9 N O2 Ru -","- C52 H96 B36 N4 O8 Ru4 -","4","1","","Powley, Samuel L.; Rosair, Georgina M.; Welch, Alan J.","Further studies of the Enhanced Structural Carborane Effect: tricarbonylruthenium and related derivatives of benzocarborane, dihydrobenzocarborane and biphenylcarborane.","Dalton transactions (Cambridge, England : 2003)","2016","45","29","11742","11752","10.1039/c6dt01888b","","","0.71073","MoKα","","0.0365","0.0265","","","0.0577","0.0612","","","","","","1.035","","","","has coordinates,has disorder","185484","2020-10-21","18:00:00",""
"7039467","21.4471","0.0012","13.2284","0.0008","13.4064","0.0007","90","","90","","90","","3803.5","0.4","100","2","100.15","","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C19 H22 B9 Co -","- C19 H22 B9 Co -","- C152 H176 B72 Co8 -","8","2","","Powley, Samuel L.; Rosair, Georgina M.; Welch, Alan J.","Further studies of the Enhanced Structural Carborane Effect: tricarbonylruthenium and related derivatives of benzocarborane, dihydrobenzocarborane and biphenylcarborane.","Dalton transactions (Cambridge, England : 2003)","2016","45","29","11742","11752","10.1039/c6dt01888b","","","0.71073","MoKα","","0.0675","0.0484","","","0.0985","0.1077","","","","","","1.042","","","","has coordinates","185484","2020-10-21","18:00:00",""
"7039468","10.212","0.001","10.3136","0.001","10.3514","0.001","115.178","0.005","90.018","0.005","90.089","0.005","986.65","0.17","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C17 H17 B9 O3 Ru -","- C17 H17 B9 O3 Ru -","- C34 H34 B18 O6 Ru2 -","2","1","","Powley, Samuel L.; Rosair, Georgina M.; Welch, Alan J.","Further studies of the Enhanced Structural Carborane Effect: tricarbonylruthenium and related derivatives of benzocarborane, dihydrobenzocarborane and biphenylcarborane.","Dalton transactions (Cambridge, England : 2003)","2016","45","29","11742","11752","10.1039/c6dt01888b","","","0.71073","MoKα","","0.0201","0.0194","","","0.0422","0.0424","","","","","","1.069","","","","has coordinates","185484","2020-10-21","18:00:00",""
"7039469","18.7","0.017","9.744","0.009","11.97","0.011","90","","107.312","0.012","90","","2082","3","238","2","238","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C24 H20 N6 Zn -","- C24 H20 N6 Zn -","- C96 H80 N24 Zn4 -","4","0.5","","Duan, Xin-E; Tong, Hong-Bo; Wei, Xue-Hong; Shi, He-Ping; Bai, Sheng-Di; Bai, Tao; Zhang, Jing; Zhang, Yong-Bin; Liu, Dian-Sheng","Coordination reactions of 2-pyridinecarboxaldehyde-phenylhydrazonatolithium with selected transition metal (Zn, Sn, Fe, Co, Ni and Zr) chlorides and its coupling reaction with dichloromethane.","Dalton transactions (Cambridge, England : 2003)","2016","45","27","11061","11070","10.1039/c6dt01183g","","","0.71073","MoKα","","0.0687","0.0601","","","0.1711","0.206","","","","","","0.954","","","","has coordinates","185396","2020-10-21","18:00:00",""
"7039470","6.8727","0.0006","13.5765","0.0012","11.6682","0.001","90","","95.526","0.001","90","","1083.67","0.16","238","2","238","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C24 H20 N6 Sn -","- C24 H20 N6 Sn -","- C48 H40 N12 Sn2 -","2","1","","Duan, Xin-E; Tong, Hong-Bo; Wei, Xue-Hong; Shi, He-Ping; Bai, Sheng-Di; Bai, Tao; Zhang, Jing; Zhang, Yong-Bin; Liu, Dian-Sheng","Coordination reactions of 2-pyridinecarboxaldehyde-phenylhydrazonatolithium with selected transition metal (Zn, Sn, Fe, Co, Ni and Zr) chlorides and its coupling reaction with dichloromethane.","Dalton transactions (Cambridge, England : 2003)","2016","45","27","11061","11070","10.1039/c6dt01183g","","","0.71073","MoKα","","0.021","0.0204","","","0.0501","0.0506","","","","","","1.049","","","","has coordinates","198633","2020-10-21","18:00:00",""
"7039471","18.647","0.004","9.818","0.002","11.893","0.003","90","","107.839","0.004","90","","2072.6","0.8","238","2","238","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C24 H20 Fe N6 -","- C24 H20 Fe N6 -","- C96 H80 Fe4 N24 -","4","0.5","","Duan, Xin-E; Tong, Hong-Bo; Wei, Xue-Hong; Shi, He-Ping; Bai, Sheng-Di; Bai, Tao; Zhang, Jing; Zhang, Yong-Bin; Liu, Dian-Sheng","Coordination reactions of 2-pyridinecarboxaldehyde-phenylhydrazonatolithium with selected transition metal (Zn, Sn, Fe, Co, Ni and Zr) chlorides and its coupling reaction with dichloromethane.","Dalton transactions (Cambridge, England : 2003)","2016","45","27","11061","11070","10.1039/c6dt01183g","","","0.71073","MoKα","","0.0381","0.0322","","","0.0813","0.0848","","","","","","1.029","","","","has coordinates","198633","2020-10-21","18:00:00",""
"7039472","17.9","0.004","9.54","0.0019","12.45","0.003","90","","100.9","0.03","90","","2087.7","0.8","238","2","238","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C24 H20 Co N6 -","- C24 H20 Co N6 -","- C96 H80 Co4 N24 -","4","0.5","","Duan, Xin-E; Tong, Hong-Bo; Wei, Xue-Hong; Shi, He-Ping; Bai, Sheng-Di; Bai, Tao; Zhang, Jing; Zhang, Yong-Bin; Liu, Dian-Sheng","Coordination reactions of 2-pyridinecarboxaldehyde-phenylhydrazonatolithium with selected transition metal (Zn, Sn, Fe, Co, Ni and Zr) chlorides and its coupling reaction with dichloromethane.","Dalton transactions (Cambridge, England : 2003)","2016","45","27","11061","11070","10.1039/c6dt01183g","","","0.71073","MoKα","","0.0723","0.0511","","","0.1257","0.1417","","","","","","1.041","","","","has coordinates","185396","2020-10-21","18:00:00",""
"7039473","10.7341","0.0012","17.247","0.0018","25.237","0.003","90","","101.824","0.002","90","","4573","0.9","238","2","238","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C40 H56 N6 O5 Zr2 -","- C40 H56 N6 O5 Zr2 -","- C160 H224 N24 O20 Zr8 -","4","2","","Duan, Xin-E; Tong, Hong-Bo; Wei, Xue-Hong; Shi, He-Ping; Bai, Sheng-Di; Bai, Tao; Zhang, Jing; Zhang, Yong-Bin; Liu, Dian-Sheng","Coordination reactions of 2-pyridinecarboxaldehyde-phenylhydrazonatolithium with selected transition metal (Zn, Sn, Fe, Co, Ni and Zr) chlorides and its coupling reaction with dichloromethane.","Dalton transactions (Cambridge, England : 2003)","2016","45","27","11061","11070","10.1039/c6dt01183g","","","0.71073","MoKα","","0.0509","0.0459","","","0.1102","0.1125","","","","","","1.302","","","","has coordinates","185396","2020-10-21","18:00:00",""
"7039474","25.67","0.005","8.11","0.0016","10.5","0.002","90","","113","0.03","90","","2012.2","0.8","293","2","293","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C25 H22 N6 -","- C25 H22 N6 -","- C100 H88 N24 -","4","0.5","","Duan, Xin-E; Tong, Hong-Bo; Wei, Xue-Hong; Shi, He-Ping; Bai, Sheng-Di; Bai, Tao; Zhang, Jing; Zhang, Yong-Bin; Liu, Dian-Sheng","Coordination reactions of 2-pyridinecarboxaldehyde-phenylhydrazonatolithium with selected transition metal (Zn, Sn, Fe, Co, Ni and Zr) chlorides and its coupling reaction with dichloromethane.","Dalton transactions (Cambridge, England : 2003)","2016","45","27","11061","11070","10.1039/c6dt01183g","","","0.71073","MoKα","","0.1346","0.0533","","","0.1111","0.1429","","","","","","0.937","","","","has coordinates","185396","2020-10-21","18:00:00",""
"7039475","13.3935","0.0006","13.9013","0.0006","14.3241","0.0006","69.076","0.001","68.969","0.001","85.963","0.001","2320.04","0.18","149","2","149","2","","","","","","","","5","P -1","-P 1","2","","","","- C52 H50 N12 Ni2 O2 -","- C52 H50 N12 Ni2 O2 -","- C104 H100 N24 Ni4 O4 -","2","1","","Duan, Xin-E; Tong, Hong-Bo; Wei, Xue-Hong; Shi, He-Ping; Bai, Sheng-Di; Bai, Tao; Zhang, Jing; Zhang, Yong-Bin; Liu, Dian-Sheng","Coordination reactions of 2-pyridinecarboxaldehyde-phenylhydrazonatolithium with selected transition metal (Zn, Sn, Fe, Co, Ni and Zr) chlorides and its coupling reaction with dichloromethane.","Dalton transactions (Cambridge, England : 2003)","2016","45","27","11061","11070","10.1039/c6dt01183g","","","0.71073","MoKα","","0.0471","0.0391","","","0.1006","0.1066","","","","","","1.008","","","","has coordinates,has disorder","185396","2020-10-21","18:00:00",""
"7039476","22.3944","0.0005","22.3944","0.0005","17.6264","0.0004","90","","90","","90","","8839.8","0.3","150","","150","","","","","","","","","6","I -4","I -4","82","","","","- C53 H42 Cl N5 O5 Ru -","- C53 H42 Cl N5 O5 Ru -","- C424 H336 Cl8 N40 O40 Ru8 -","8","1","","Bessette, André; Cibian, Mihaela; Ferreira, Janaina G.; DiMarco, Brian N.; Bélanger, Francis; Désilets, Denis; Meyer, Gerald J.; Hanan, Garry S.","Azadipyrromethene cyclometalation in neutral Ru(II) complexes: photosensitizers with extended near-infrared absorption for solar energy conversion applications.","Dalton transactions (Cambridge, England : 2003)","2016","45","26","10563","10576","10.1039/c6dt00961a","","","1.54178","CuKα","","0.0275","0.027","","","0.0689","0.0694","","","","","","1.051","","","","has coordinates","185348","2020-10-21","18:00:00",""
"7039477","15.6633","0.0007","24.01","0.001","21.6141","0.001","90","","104.679","0.002","90","","7863.2","0.6","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C49 H37 N5 O5 Ru -","- C49 H37 N5 O5 Ru -","- C392 H296 N40 O40 Ru8 -","8","2","","Bessette, André; Cibian, Mihaela; Ferreira, Janaina G.; DiMarco, Brian N.; Bélanger, Francis; Désilets, Denis; Meyer, Gerald J.; Hanan, Garry S.","Azadipyrromethene cyclometalation in neutral Ru(II) complexes: photosensitizers with extended near-infrared absorption for solar energy conversion applications.","Dalton transactions (Cambridge, England : 2003)","2016","45","26","10563","10576","10.1039/c6dt00961a","","x-ray","1.34139","GaKα","","0.1045","0.0745","","","0.1959","0.215","","","","","","1.058","","","","has coordinates,has disorder","185348","2020-10-21","18:00:00",""
"7039478","12.207","0.002","13.408","0.003","16.302","0.003","73.36","0.03","70.9","0.03","73.29","0.03","2359.7","1","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C60.5 H47 Br N6 O4 Ru -","- C60.5 H47 Br N6 O4 Ru -","- C121 H94 Br2 N12 O8 Ru2 -","2","1","","Bessette, André; Cibian, Mihaela; Ferreira, Janaina G.; DiMarco, Brian N.; Bélanger, Francis; Désilets, Denis; Meyer, Gerald J.; Hanan, Garry S.","Azadipyrromethene cyclometalation in neutral Ru(II) complexes: photosensitizers with extended near-infrared absorption for solar energy conversion applications.","Dalton transactions (Cambridge, England : 2003)","2016","45","26","10563","10576","10.1039/c6dt00961a","","","1.3418","GaKα","","0.1233","0.0768","","","0.1666","0.1911","","","","","","1.02","","","","has coordinates,has disorder","185348","2020-10-21","18:00:00",""
"7039479","19.4324","0.0003","11.1984","0.0002","20.9143","0.0003","90","","107.72","0.002","90","","4335.27","0.13","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C43 H44 Cl2 I N12 Rh -","- C42 H42 I N12 Rh -","- C168 H168 I4 N48 Rh4 -","4","1","","Farrell, Kevin; Müller-Bunz, Helge; Albrecht, Martin","Versatile bonding and coordination modes of ditriazolylidene ligands in rhodium(iii) and iridium(iii) complexes.","Dalton transactions (Cambridge, England : 2003)","2016","45","40","15859","15871","10.1039/c6dt01760f","","","1.54184","CuKα","","0.0547","0.0495","","","0.1289","0.1336","","","","","","1.041","","","","has coordinates","188216","2020-10-21","18:00:00",""
"7039480","10.3886","0.0003","23.2899","0.0004","12.8981","0.0003","90","","112.792","0.003","90","","2877.02","0.13","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C30 H34 B F4 N6 O Rh -","- C30 H34 B F4 N6 O Rh -","- C120 H136 B4 F16 N24 O4 Rh4 -","4","1","","Farrell, Kevin; Müller-Bunz, Helge; Albrecht, Martin","Versatile bonding and coordination modes of ditriazolylidene ligands in rhodium(iii) and iridium(iii) complexes.","Dalton transactions (Cambridge, England : 2003)","2016","45","40","15859","15871","10.1039/c6dt01760f","","","0.71073","MoKα","","0.0402","0.0364","","","0.0743","0.0759","","","","","","1.221","","","","has coordinates","188216","2020-10-21","18:00:00",""
"7039481","15.4355","0.0001","16.3463","0.0001","23.5226","0.0002","90","","90","","90","","5935.07","0.07","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C31 H36 B F4 N6 Rh -","- C31 H36 B F4 N6 Rh -","- C248 H288 B8 F32 N48 Rh8 -","8","1","","Farrell, Kevin; Müller-Bunz, Helge; Albrecht, Martin","Versatile bonding and coordination modes of ditriazolylidene ligands in rhodium(iii) and iridium(iii) complexes.","Dalton transactions (Cambridge, England : 2003)","2016","45","40","15859","15871","10.1039/c6dt01760f","","","0.71073","MoKα","","0.0298","0.0246","","","0.0616","0.065","","","","","","1.029","","","","has coordinates","188216","2020-10-21","18:00:00",""
"7039482","9.4774","0.0004","17.4666","0.0007","15.7881","0.0006","90","","92.342","0.004","90","","2611.35","0.18","100","2","100","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C23 H37.48 B0.21 Cl1.79 F0.84 N6 O0.24 Rh -","- C23 H37 B0.208 Cl1.792 F0.832 N6 O0.237 Rh -","- C92 H148 B0.832 Cl7.168 F3.328 N24 O0.948 Rh4 -","4","1","","Farrell, Kevin; Müller-Bunz, Helge; Albrecht, Martin","Versatile bonding and coordination modes of ditriazolylidene ligands in rhodium(iii) and iridium(iii) complexes.","Dalton transactions (Cambridge, England : 2003)","2016","45","40","15859","15871","10.1039/c6dt01760f","","","0.71073","MoKα","","0.0367","0.0308","","","0.0679","0.0713","","","","","","1.047","","","","has coordinates,has disorder","188216","2020-10-21","18:00:00",""
"7039483","8.9457","0.0004","9.2864","0.0005","11.7075","0.0005","100.602","0.004","98.957","0.004","115.369","0.005","833.13","0.08","150","2","150","2","","","","","","","","3","P -1","-P 1","2","","","","- C19 H26 O3 -","- C19 H26 O3 -","- C38 H52 O6 -","2","1","","García-Rodríguez, Jaime; González, Jairo; Santamaría, Javier; Suárez-Sobrino, Ángel L; Rodríguez, Miguel A","Higher-order cyclization reactions of alkenyl Fischer carbene complexes: a new selective all-carbon [8 + 2] cyclization with 8-methoxyheptafulvene and computational mechanistic analysis.","Dalton transactions (Cambridge, England : 2003)","2016","45","28","11353","11361","10.1039/c6dt01465h","","","1.54184","CuKα","","0.0422","0.0402","","","0.1036","0.1104","","","","","","1.073","","","","has coordinates","185500","2020-10-21","18:00:00",""
"7039484","12.5048","0.0002","16.5248","0.0003","21.1589","0.0004","90","","90","","90","","4372.26","0.13","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C22 H18 Cr O8 -","- C22 H18 Cr O8 -","- C176 H144 Cr8 O64 -","8","1","","García-Rodríguez, Jaime; González, Jairo; Santamaría, Javier; Suárez-Sobrino, Ángel L; Rodríguez, Miguel A","Higher-order cyclization reactions of alkenyl Fischer carbene complexes: a new selective all-carbon [8 + 2] cyclization with 8-methoxyheptafulvene and computational mechanistic analysis.","Dalton transactions (Cambridge, England : 2003)","2016","45","28","11353","11361","10.1039/c6dt01465h","","","0.71073","MoKα","","0.0702","0.0514","","","0.1449","0.1776","","","","","","1.156","","","","has coordinates","185500","2020-10-21","18:00:00",""
"7039485","26.286","0.0012","26.286","0.0012","44.3921","0.0015","90","","90","","90","","30673","2","291","2","291.15","","","","","","","","","6","I 41","I 4bw","80","","","","- C126 H137 Co4 Dy4 N11 O62 -","- C122 H101 Co4 Dy4 N11 O48 -","- C976 H808 Co32 Dy32 N88 O384 -","8","1","","She, Shixiong; Li, Yahong; Li, Wu","Two 3d-4f double helical chains including [Dy2M2]n (M = Ni(II) and Co(II)) cores exhibiting slow magnetic relaxation.","Dalton transactions (Cambridge, England : 2003)","2016","45","26","10830","10835","10.1039/c6dt00951d","","","0.71073","MoKα","","0.0348","0.0222","","","0.0452","0.0467","","","","","","0.866","","","","has coordinates","185349","2020-10-21","18:00:00",""
"7039486","26.277","0.0012","26.277","0.0012","44.411","0.0015","90","","90","","90","","30665","2","291","2","291.15","","","","","","","","","6","I 41","I 4bw","80","","","","- C126 H137 Dy4 N11 Ni4 O62 -","- C122 H101 Dy4 N11 Ni4 O48 -","- C976 H808 Dy32 N88 Ni32 O384 -","8","1","","She, Shixiong; Li, Yahong; Li, Wu","Two 3d-4f double helical chains including [Dy2M2]n (M = Ni(II) and Co(II)) cores exhibiting slow magnetic relaxation.","Dalton transactions (Cambridge, England : 2003)","2016","45","26","10830","10835","10.1039/c6dt00951d","","","0.71073","MoKα","","0.0618","0.0336","","","0.0688","0.0797","","","","","","1.005","","","","has coordinates","185349","2020-10-21","18:00:00",""
"7039487","15.095","0.0006","14.0023","0.0006","12.335","0.0005","90","","108.689","0.001","90","","2469.71","0.18","173","2","173","2","","","","","","","","8","C 1 c 1","C -2yc","9","czq2","Ru(C10H8N2)2Cl2(CF3SO3)","","- C23 H19 Cl2 F3 N5 O3 Ru S -","- C23 H19 Cl2 F3 N5 O3 Ru S -","- C92 H76 Cl8 F12 N20 O12 Ru4 S4 -","4","1","","Lv, Zhanao; Zheng, Wenrui; Chen, Zhuqi; Tang, Zhiming; Mo, Wanling; Yin, Guochuan","Synergistic oxygen atom transfer by ruthenium complexes with non-redox metal ions.","Dalton transactions (Cambridge, England : 2003)","2016","45","28","11369","11383","10.1039/c6dt01077f","","","0.71073","MoKα","","0.0231","0.0217","","","0.0539","0.0548","","","","","","1.031","","","","has coordinates","185502","2020-10-21","18:00:00",""
"7039488","12.2314","0.0002","17.1983","0.0004","17.3127","0.0003","90","","91.1317","0.0016","90","","3641.18","0.12","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C28 H24 F9 Nd O8 S5 -","- C28 H24 F9 Nd O8 S5 -","- C112 H96 F36 Nd4 O32 S20 -","4","1","","Li, Bing; Li, Hongfeng; Chen, Peng; Sun, Wenbin; Wang, Cheng; Gao, Ting; Yan, Pengfei","Insight into the roles of structures and energy levels of mono- and bis-β-diketones on sensitizing Nd(iii) NIR-luminescence.","Dalton transactions (Cambridge, England : 2003)","2016","45","28","11459","11470","10.1039/c6dt01609j","","","0.71073","MoKα","","0.0652","0.0459","","","0.1177","0.1307","","","","","","1.04","","","","has coordinates","185504","2020-10-21","18:00:00",""
"7039489","19.7938","0.0005","28.2072","0.0005","15.0963","0.0004","90","","118.891","0.004","90","","7379.7","0.4","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C50 H54 F18 Nd2 O19 S10 -","- C50 H54 F18 Nd2 O19 S10 -","- C200 H216 F72 Nd8 O76 S40 -","4","0.5","","Li, Bing; Li, Hongfeng; Chen, Peng; Sun, Wenbin; Wang, Cheng; Gao, Ting; Yan, Pengfei","Insight into the roles of structures and energy levels of mono- and bis-β-diketones on sensitizing Nd(iii) NIR-luminescence.","Dalton transactions (Cambridge, England : 2003)","2016","45","28","11459","11470","10.1039/c6dt01609j","","","0.71073","MoKα","","0.0465","0.0319","","","0.0706","0.0795","","","","","","1.073","","","","has coordinates","185504","2020-10-21","18:00:00",""
"7039490","41.621","0.004","11.9064","0.001","16.7402","0.0015","90","","98.961","0.002","90","","8194.5","1.3","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C60 H54 F18 Nd2 O18 S12 -","- C60 H54 F18 Nd2 O18 S12 -","- C240 H216 F72 Nd8 O72 S48 -","4","0.5","","Li, Bing; Li, Hongfeng; Chen, Peng; Sun, Wenbin; Wang, Cheng; Gao, Ting; Yan, Pengfei","Insight into the roles of structures and energy levels of mono- and bis-β-diketones on sensitizing Nd(iii) NIR-luminescence.","Dalton transactions (Cambridge, England : 2003)","2016","45","28","11459","11470","10.1039/c6dt01609j","","","0.71073","MoKα","","0.1421","0.0673","","","0.1524","0.1877","","","","","","0.984","","","","has coordinates,has disorder","185504","2020-10-21","18:00:00",""
"7039491","25.674","0.01","7.876","0.003","20.102","0.008","90","","123.068","0.01","90","","3406","2","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C24 H40 Cl2 Fe2 N6 O13 -","- C24 H40 Cl2 Fe2 N6 O13 -","- C96 H160 Cl8 Fe8 N24 O52 -","4","0.5","","Balamurugan, Mani; Suresh, Eringathodi; Palaniandavar, Mallayan","Non-heme μ-Oxo- and bis(μ-carboxylato)-bridged diiron(iii) complexes of a 3N ligand as catalysts for alkane hydroxylation: stereoelectronic factors of carboxylate bridges determine the catalytic efficiency.","Dalton transactions (Cambridge, England : 2003)","2016","45","28","11422","11436","10.1039/c6dt01059h","","","0.71073","MoKα","","0.0655","0.0455","","","0.1223","0.1414","","","","","","1.035","","","","has coordinates","185505","2020-10-21","18:00:00",""
"7039492","34.8958","0.0008","11.1865","0.0002","28.5616","0.0007","90","","127.463","0.002","90","","8849.8","0.4","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C34 H44 Cl2 Fe2 N6 O13 -","- C34 H44 Cl2 Fe2 N6 O13 -","- C272 H352 Cl16 Fe16 N48 O104 -","8","1","","Balamurugan, Mani; Suresh, Eringathodi; Palaniandavar, Mallayan","Non-heme μ-Oxo- and bis(μ-carboxylato)-bridged diiron(iii) complexes of a 3N ligand as catalysts for alkane hydroxylation: stereoelectronic factors of carboxylate bridges determine the catalytic efficiency.","Dalton transactions (Cambridge, England : 2003)","2016","45","28","11422","11436","10.1039/c6dt01059h","","","0.71073","MoKα","","0.0936","0.0609","","","0.1725","0.1887","","","","","","1.073","","","","has coordinates","185505","2020-10-21","18:00:00",""
"7039493","10.9602","0.0007","18.5001","0.0012","20.826","0.0014","90","","90","","90","","4222.8","0.5","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C32 H55 Cl2 Fe2 N7 O13 -","- C32 H55 Cl2 Fe2 N7 O13 -","- C128 H220 Cl8 Fe8 N28 O52 -","4","1","","Balamurugan, Mani; Suresh, Eringathodi; Palaniandavar, Mallayan","Non-heme μ-Oxo- and bis(μ-carboxylato)-bridged diiron(iii) complexes of a 3N ligand as catalysts for alkane hydroxylation: stereoelectronic factors of carboxylate bridges determine the catalytic efficiency.","Dalton transactions (Cambridge, England : 2003)","2016","45","28","11422","11436","10.1039/c6dt01059h","","","0.71073","MoKα","","0.0508","0.0456","","","0.1096","0.1143","","","","","","1.061","","","","has coordinates","185505","2020-10-21","18:00:00",""
"7039494","13.101","0.012","8.356","0.007","12.01","0.01","90","","94.889","0.009","90","","1310","2","273","","273","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H9 As S2 -","- C14 H9 As S2 -","- C56 H36 As4 S8 -","4","1","","Kato, Takuji; Imoto, Hiroaki; Tanaka, Susumu; Ishidoshiro, Makoto; Naka, Kensuke","Facile synthesis and properties of dithieno[3,2-b:2',3'-d]arsoles.","Dalton transactions (Cambridge, England : 2003)","2016","45","28","11338","11345","10.1039/c6dt02034h","","","0.71075","MoKα","","0.0691","0.0441","","","0.0772","0.0861","","","","","","1.056","","","","has coordinates","185507","2020-10-21","18:00:00",""
"7039495","5.339","0.004","15.757","0.011","18.921","0.013","111.62","0.009","92.719","0.008","90.884","0.007","1477.2","1.8","273","","273","","","","","","","","","5","P -1","-P 1","2","","","","- C14 H7 As Br2 S2 -","- C14 H7 As Br2 S2 -","- C56 H28 As4 Br8 S8 -","4","2","","Kato, Takuji; Imoto, Hiroaki; Tanaka, Susumu; Ishidoshiro, Makoto; Naka, Kensuke","Facile synthesis and properties of dithieno[3,2-b:2',3'-d]arsoles.","Dalton transactions (Cambridge, England : 2003)","2016","45","28","11338","11345","10.1039/c6dt02034h","","","0.71075","MoKα","","0.0766","0.044","","","0.0931","0.1129","","","","","","1.057","","","","has coordinates","185507","2020-10-21","18:00:00",""
"7039496","10.404","0.014","18.4","0.02","11.973","0.015","90","","114.573","0.015","90","","2084","4","273","","273","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C26 H17 As S2 -","- C26 H17 As S2 -","- C104 H68 As4 S8 -","4","2","","Kato, Takuji; Imoto, Hiroaki; Tanaka, Susumu; Ishidoshiro, Makoto; Naka, Kensuke","Facile synthesis and properties of dithieno[3,2-b:2',3'-d]arsoles.","Dalton transactions (Cambridge, England : 2003)","2016","45","28","11338","11345","10.1039/c6dt02034h","","","0.71075","MoKα","","0.0914","0.065","","","0.1458","0.1636","","","","","","1.027","","","","has coordinates","185507","2020-10-21","18:00:00",""
"7039497","7.4201","0.0005","8.7404","0.0005","28.185","0.003","90","","90","","90","","1827.9","0.3","298","2","298","2","","","","","","","","6","P 21 n b","P -2bc 2a","33","","","","- C16 H11 Cl Hg I2 N2 -","- C16 H11 Cl Hg I2 N2 -","- C64 H44 Cl4 Hg4 I8 N8 -","4","1","","Khavasi, Hamid Reza; Kavand, Sima","Conformational variety of flexible mono-dentate ligands in coordination compounds: influence of π-involving interactions.","Dalton transactions (Cambridge, England : 2003)","2016","45","26","10761","10770","10.1039/c6dt01563h","","","0.71073","MoKα","","0.0827","0.0631","","","0.1637","0.1722","","","","","","1.011","","","","has coordinates","185355","2020-10-21","18:00:00",""
"7039498","26.837","0.005","4.7735","0.0008","25.763","0.005","90","","112.327","0.014","90","","3053","1","298","2","298","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C32 H22 Br2 Cl2 Hg N4 O2 -","- C32 H22 Br2 Cl2 Hg N4 O2 -","- C128 H88 Br8 Cl8 Hg4 N16 O8 -","4","0.5","","Khavasi, Hamid Reza; Kavand, Sima","Conformational variety of flexible mono-dentate ligands in coordination compounds: influence of π-involving interactions.","Dalton transactions (Cambridge, England : 2003)","2016","45","26","10761","10770","10.1039/c6dt01563h","","","0.71073","MoKα","","0.0711","0.0512","","","0.1112","0.1312","","","","","","1.047","","","","has coordinates","185355","2020-10-21","18:00:00",""
"7039499","7.4259","0.0006","8.814","0.001","28.085","0.003","90","","90","","90","","1838.2","0.3","298","2","298","2","","","","","","","","6","P 21 n b","P -2bc 2a","33","","","","- C16 H11 Br Hg I2 N2 -","- C16 H11 Br Hg I2 N2 -","- C64 H44 Br4 Hg4 I8 N8 -","4","1","","Khavasi, Hamid Reza; Kavand, Sima","Conformational variety of flexible mono-dentate ligands in coordination compounds: influence of π-involving interactions.","Dalton transactions (Cambridge, England : 2003)","2016","45","26","10761","10770","10.1039/c6dt01563h","","","0.71073","MoKα","","0.0912","0.0863","","","0.1086","0.1313","","","","","","1.011","","","","has coordinates","185355","2020-10-21","18:00:00",""
"7039500","26.559","0.005","4.7805","0.0009","29.195","0.006","90","","125.788","0.014","90","","3006.9","1.1","298","2","298","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C32 H22 Cl4 Hg N4 O2 -","- C32 H22 Cl4 Hg N4 O2 -","- C128 H88 Cl16 Hg4 N16 O8 -","4","0.5","","Khavasi, Hamid Reza; Kavand, Sima","Conformational variety of flexible mono-dentate ligands in coordination compounds: influence of π-involving interactions.","Dalton transactions (Cambridge, England : 2003)","2016","45","26","10761","10770","10.1039/c6dt01563h","","","0.71073","MoKα","","0.0652","0.0512","","","0.1012","0.1211","","","","","","1.01","","","","has coordinates","185355","2020-10-21","18:00:00",""
"7039501","26.927","0.002","4.7733","0.0004","29.451","0.003","90","","125.358","0.006","90","","3087.2","0.5","298","2","298","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C32 H22 Br4 Hg N4 O2 -","- C32 H22 Br4 Hg N4 O2 -","- C128 H88 Br16 Hg4 N16 O8 -","4","0.5","","Khavasi, Hamid Reza; Kavand, Sima","Conformational variety of flexible mono-dentate ligands in coordination compounds: influence of π-involving interactions.","Dalton transactions (Cambridge, England : 2003)","2016","45","26","10761","10770","10.1039/c6dt01563h","","","0.71073","MoKα","","0.091","0.0895","","","0.1487","0.1709","","","","","","1.012","","","","has coordinates","185355","2020-10-21","18:00:00",""
"7039502","27.265","0.003","4.7826","0.0009","26.369","0.004","90","","112.507","0.011","90","","3176.6","0.9","298","2","298","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C32 H22 Br2 Hg I2 N4 O2 -","- C32 H22 Br2 Hg I2 N4 O2 -","- C128 H88 Br8 Hg4 I8 N16 O8 -","4","0.5","","Khavasi, Hamid Reza; Kavand, Sima","Conformational variety of flexible mono-dentate ligands in coordination compounds: influence of π-involving interactions.","Dalton transactions (Cambridge, England : 2003)","2016","45","26","10761","10770","10.1039/c6dt01563h","","","0.71073","MoKα","","0.0812","0.0777","","","0.126","0.1911","","","","","","0.992","","","","has coordinates","185355","2020-10-21","18:00:00",""
"7039503","37.566","0.004","5.2293","0.0005","16.778","0.002","90","","115.093","0.009","90","","2984.9","0.6","298","2","298","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C32 H22 Br2 Cl2 Hg N4 -","- C32 H22 Br2 Cl2 Hg N4 -","- C128 H88 Br8 Cl8 Hg4 N16 -","4","1","","Khavasi, Hamid Reza; Kavand, Sima","Conformational variety of flexible mono-dentate ligands in coordination compounds: influence of π-involving interactions.","Dalton transactions (Cambridge, England : 2003)","2016","45","26","10761","10770","10.1039/c6dt01563h","","","0.71073","MoKα","","0.0821","0.0752","","","0.1197","0.1423","","","","","","0.96","","","","has coordinates","185355","2020-10-21","18:00:00",""
"7039504","31.332","0.007","5.3491","0.0015","25.909","0.006","90","","135.818","0.011","90","","3026.3","1.4","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C32 H22 Br4 Hg N4 -","- C32 H22 Br4 Hg N4 -","- C128 H88 Br16 Hg4 N16 -","4","0.5","","Khavasi, Hamid Reza; Kavand, Sima","Conformational variety of flexible mono-dentate ligands in coordination compounds: influence of π-involving interactions.","Dalton transactions (Cambridge, England : 2003)","2016","45","26","10761","10770","10.1039/c6dt01563h","","","0.71073","MoKα","","0.0812","0.0702","","","0.1366","0.1621","","","","","","1.025","","","","has coordinates","185355","2020-10-21","18:00:00",""
"7039505","9.036","0.0002","9.1385","0.0002","22.085","0.0005","90","","91.034","0.001","90","","1823.38","0.07","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C15 H25 Cl2 Ga N P -","- C15 H25 Cl2 Ga N P -","- C60 H100 Cl8 Ga4 N4 P4 -","4","1","","Devillard, M.; Alvarez Lamsfus, C.; Vreeken, V.; Maron, L.; van der Vlugt, J. I.","Versatile coordination of a reactive P,N-ligand toward boron, aluminum and gallium and interconversion reactivity.","Dalton transactions (Cambridge, England : 2003)","2016","45","27","10989","10998","10.1039/c6dt02087a","","","0.71073","MoKα","","0.0517","0.0329","","","0.0687","0.0752","","","","","","1.008","","","","has coordinates","185405","2020-10-21","18:00:00",""
"7039506","8.437","0.0004","8.7139","0.0004","16.7028","0.0007","87.327","0.002","80.82","0.002","63.202","0.002","1081.61","0.09","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C15 H25 B Cl5 Ga N P -","- C15 H25 B Cl5 Ga N P -","- C30 H50 B2 Cl10 Ga2 N2 P2 -","2","1","","Devillard, M.; Alvarez Lamsfus, C.; Vreeken, V.; Maron, L.; van der Vlugt, J. I.","Versatile coordination of a reactive P,N-ligand toward boron, aluminum and gallium and interconversion reactivity.","Dalton transactions (Cambridge, England : 2003)","2016","45","27","10989","10998","10.1039/c6dt02087a","","","0.71073","MoKα","","0.0491","0.0321","","","0.0628","0.0685","","","","","","1.008","","","","has coordinates","185405","2020-10-21","18:00:00",""
"7039507","10.0561","0.0004","16.276","0.0007","15.2376","0.0006","90","","93.71","0.002","90","","2488.76","0.18","150","2","150","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C21 H30 B Cl4 Ga N P -","- C21 H30 B Cl4 Ga N P -","- C84 H120 B4 Cl16 Ga4 N4 P4 -","4","1","","Devillard, M.; Alvarez Lamsfus, C.; Vreeken, V.; Maron, L.; van der Vlugt, J. I.","Versatile coordination of a reactive P,N-ligand toward boron, aluminum and gallium and interconversion reactivity.","Dalton transactions (Cambridge, England : 2003)","2016","45","27","10989","10998","10.1039/c6dt02087a","","","0.71073","MoKα","","0.0325","0.0259","","","0.0606","0.0639","","","","","","1.083","","","","has coordinates","185405","2020-10-21","18:00:00",""
"7039508","9.7845","0.0007","11.8465","0.0009","12.0322","0.0009","83.458","0.003","83.64","0.003","77.501","0.003","1347.41","0.17","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C21 H31 B Cl5 Ga N P -","- C21 H31 B Cl5 Ga N P -","- C42 H62 B2 Cl10 Ga2 N2 P2 -","2","1","","Devillard, M.; Alvarez Lamsfus, C.; Vreeken, V.; Maron, L.; van der Vlugt, J. I.","Versatile coordination of a reactive P,N-ligand toward boron, aluminum and gallium and interconversion reactivity.","Dalton transactions (Cambridge, England : 2003)","2016","45","27","10989","10998","10.1039/c6dt02087a","","","0.71073","MoKα","","0.0647","0.0377","","","0.0746","0.0897","","","","","","1.076","","","","has coordinates","185405","2020-10-21","18:00:00",""
"7039509","8.2835","0.0019","8.5491","0.0018","16.876","0.004","87.103","0.006","81.076","0.007","61.85","0.005","1040.6","0.4","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C15 H25 B2 Cl5 N P -","- C15 H25 B2 Cl5 N P -","- C30 H50 B4 Cl10 N2 P2 -","2","1","","Devillard, M.; Alvarez Lamsfus, C.; Vreeken, V.; Maron, L.; van der Vlugt, J. I.","Versatile coordination of a reactive P,N-ligand toward boron, aluminum and gallium and interconversion reactivity.","Dalton transactions (Cambridge, England : 2003)","2016","45","27","10989","10998","10.1039/c6dt02087a","","","0.71073","MoKα","","0.0502","0.0357","","","0.0722","0.0774","","","","","","1.072","","","","has coordinates","185405","2020-10-21","18:00:00",""
"7039510","4.8467","0.0004","13.1798","0.0012","15.0042","0.0014","74.217","0.003","85.628","0.003","82.567","0.003","913.71","0.14","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C29 H28 Bi2 N6 O15 -","- C29 H28 Bi2 N6 O15 -","- C29 H28 Bi2 N6 O15 -","1","0.5","","Keogan, D. M.; Twamley, B.; Fitzgerald-Hughes, D; Griffith, D. M.","Novel class of Bi(iii) hydroxamato complexes: synthesis, urease inhibitory activity and activity against H. pylori.","Dalton transactions (Cambridge, England : 2003)","2016","45","27","11008","11014","10.1039/c5dt05061h","","","0.71073","MoKα","","0.0437","0.0371","","","0.0904","0.0935","","","","","","1.084","","","","has coordinates,has disorder","185407","2020-10-21","18:00:00",""
"7039511","15.0432","0.0006","15.2366","0.0005","16.5434","0.0006","112.566","0.001","116.585","0.001","94.485","0.001","2984.5","0.2","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C90 H108 Bi6 N18 O66 -","- C90 H108 Bi6 N18 O66 -","- C90 H108 Bi6 N18 O66 -","1","0.5","","Keogan, D. M.; Twamley, B.; Fitzgerald-Hughes, D; Griffith, D. M.","Novel class of Bi(iii) hydroxamato complexes: synthesis, urease inhibitory activity and activity against H. pylori.","Dalton transactions (Cambridge, England : 2003)","2016","45","27","11008","11014","10.1039/c5dt05061h","","","0.71073","MoKα","","0.0411","0.0254","","","0.0489","0.0533","","","","","","1.004","","","","has coordinates","185407","2020-10-21","18:00:00",""
"7039512","17.4889","0.0006","21.7538","0.0006","22.1728","0.0008","90","","90","","90","","8435.6","0.5","298","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C77 H58 K2 La N10 P5 -","- C77 H58 K2 La N10 P5 -","- C308 H232 K8 La4 N40 P20 -","4","1","","Zhao, Minggang; Wang, Lixia; Li, Pangpang; Ma, Jianping; Zheng, Wenjun","1,2,4-Diazaphospholide complexes of lanthanum(iii), cerium(iii), neodymium(iii), praseodymium(iii), and samarium(iii): synthesis, X-ray structural characterization, and magnetic susceptibility studies.","Dalton transactions (Cambridge, England : 2003)","2016","45","27","11172","11181","10.1039/c6dt00696e","","x-ray","0.71073","MoKα","","0.1348","0.0865","","","0.2091","0.2453","","","","","","1.002","","","","has coordinates,has disorder","185408","2020-10-21","18:00:00",""
"7039513","17.4551","0.0002","21.7027","0.0003","22.1513","0.0003","90","","90","","90","","8391.42","0.19","298","2","298","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C84 H66 K2 N10 P5 Sm -","- C84 H66 K2 N10 P5 Sm -","- C336 H264 K8 N40 P20 Sm4 -","4","1","","Zhao, Minggang; Wang, Lixia; Li, Pangpang; Ma, Jianping; Zheng, Wenjun","1,2,4-Diazaphospholide complexes of lanthanum(iii), cerium(iii), neodymium(iii), praseodymium(iii), and samarium(iii): synthesis, X-ray structural characterization, and magnetic susceptibility studies.","Dalton transactions (Cambridge, England : 2003)","2016","45","27","11172","11181","10.1039/c6dt00696e","","x-ray","0.71073","MoKα","","0.0601","0.044","","","0.1253","0.1372","","","","","","1.098","","","","has coordinates","185408","2020-10-21","18:00:00",""
"7039514","10.8923","0.001","12.735","0.0012","14.5804","0.0009","105.787","0.007","104.523","0.007","108.687","0.008","1712.2","0.3","110","14","110","14","","","","","","","","7","P -1","-P 1","2","","","","- C56 H104 Cl2 N8 O4 P4 Pr2 -","- C56 H104 Cl2 N8 O4 P4 Pr2 -","- C56 H104 Cl2 N8 O4 P4 Pr2 -","1","0.5","","Zhao, Minggang; Wang, Lixia; Li, Pangpang; Ma, Jianping; Zheng, Wenjun","1,2,4-Diazaphospholide complexes of lanthanum(iii), cerium(iii), neodymium(iii), praseodymium(iii), and samarium(iii): synthesis, X-ray structural characterization, and magnetic susceptibility studies.","Dalton transactions (Cambridge, England : 2003)","2016","45","27","11172","11181","10.1039/c6dt00696e","","x-ray","0.71073","MoKα","","0.1029","0.0782","","","0.1906","0.2146","","","","","","1.072","","","","has coordinates,has disorder","185408","2020-10-21","18:00:00",""
"7039515","18.7069","0.0005","12.879","0.0003","20.3131","0.0005","90","","102.571","0.002","90","","4776.6","0.2","293","2","298","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C38 H70 La N6 O2 P3 -","- C38 H70 La N6 O2 P3 -","- C152 H280 La4 N24 O8 P12 -","4","0.5","","Zhao, Minggang; Wang, Lixia; Li, Pangpang; Ma, Jianping; Zheng, Wenjun","1,2,4-Diazaphospholide complexes of lanthanum(iii), cerium(iii), neodymium(iii), praseodymium(iii), and samarium(iii): synthesis, X-ray structural characterization, and magnetic susceptibility studies.","Dalton transactions (Cambridge, England : 2003)","2016","45","27","11172","11181","10.1039/c6dt00696e","","x-ray","0.71073","MoKα","","0.0386","0.0331","","","0.0799","0.0837","","","","","","1.051","","","","has coordinates,has disorder","185408","2020-10-21","18:00:00",""
"7039516","18.7512","0.0014","12.8964","0.0007","20.295","0.0011","90","","102.538","0.006","90","","4790.8","0.5","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C38 H70 Ce N6 O2 P3 -","- C38 H70 Ce N6 O2 P3 -","- C152 H280 Ce4 N24 O8 P12 -","4","0.5","","Zhao, Minggang; Wang, Lixia; Li, Pangpang; Ma, Jianping; Zheng, Wenjun","1,2,4-Diazaphospholide complexes of lanthanum(iii), cerium(iii), neodymium(iii), praseodymium(iii), and samarium(iii): synthesis, X-ray structural characterization, and magnetic susceptibility studies.","Dalton transactions (Cambridge, England : 2003)","2016","45","27","11172","11181","10.1039/c6dt00696e","","","0.71073","MoKα","","0.0533","0.0414","","","0.0982","0.1049","","","","","","1.047","","","","has coordinates,has disorder","185408","2020-10-21","18:00:00",""
"7039517","18.7219","0.0009","12.8523","0.0005","20.2486","0.0008","90","","102.503","0.005","90","","4756.7","0.4","298","2","298","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C38 H70 N6 O2 P3 Pr -","- C38 H70 N6 O2 P3 Pr -","- C152 H280 N24 O8 P12 Pr4 -","4","0.5","","Zhao, Minggang; Wang, Lixia; Li, Pangpang; Ma, Jianping; Zheng, Wenjun","1,2,4-Diazaphospholide complexes of lanthanum(iii), cerium(iii), neodymium(iii), praseodymium(iii), and samarium(iii): synthesis, X-ray structural characterization, and magnetic susceptibility studies.","Dalton transactions (Cambridge, England : 2003)","2016","45","27","11172","11181","10.1039/c6dt00696e","","","0.71073","MoKα","","0.0495","0.0402","","","0.0942","0.0992","","","","","","1.04","","","","has coordinates,has disorder","185408","2020-10-21","18:00:00",""
"7039518","18.6636","0.0008","12.861","0.0006","20.2165","0.0008","90","","102.553","0.004","90","","4736.6","0.4","298","2","298","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C38 H70 N6 Nd O2 P3 -","- C38 H70 N6 Nd O2 P3 -","- C152 H280 N24 Nd4 O8 P12 -","4","0.5","","Zhao, Minggang; Wang, Lixia; Li, Pangpang; Ma, Jianping; Zheng, Wenjun","1,2,4-Diazaphospholide complexes of lanthanum(iii), cerium(iii), neodymium(iii), praseodymium(iii), and samarium(iii): synthesis, X-ray structural characterization, and magnetic susceptibility studies.","Dalton transactions (Cambridge, England : 2003)","2016","45","27","11172","11181","10.1039/c6dt00696e","","","0.71073","MoKα","","0.0563","0.0466","","","0.1105","0.1202","","","","","","1.06","","","","has coordinates,has disorder","185408","2020-10-21","18:00:00",""
"7039519","14.3728","0.0003","14.5","0.0004","16.1044","0.0004","104.834","0.002","110.391","0.002","93.413","0.002","2999.83","0.14","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C61 H62 N6 O3 P3 Pr -","- C61 H62 N6 O3 P3 Pr -","- C122 H124 N12 O6 P6 Pr2 -","2","1","","Zhao, Minggang; Wang, Lixia; Li, Pangpang; Ma, Jianping; Zheng, Wenjun","1,2,4-Diazaphospholide complexes of lanthanum(iii), cerium(iii), neodymium(iii), praseodymium(iii), and samarium(iii): synthesis, X-ray structural characterization, and magnetic susceptibility studies.","Dalton transactions (Cambridge, England : 2003)","2016","45","27","11172","11181","10.1039/c6dt00696e","","x-ray","0.71073","MoKα","","0.0571","0.0428","","","0.1249","0.1353","","","","","","1.058","","","","has coordinates,has disorder","185408","2020-10-21","18:00:00",""
"7039520","22.6746","0.001","15.0764","0.0005","24.6405","0.0011","90","","106.253","0.005","90","","8086.7","0.6","298","2","298","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C80 H88 K N8 O6 P4 Sm -","- C80 H88 K N8 O6 P4 Sm -","- C320 H352 K4 N32 O24 P16 Sm4 -","4","1","","Zhao, Minggang; Wang, Lixia; Li, Pangpang; Ma, Jianping; Zheng, Wenjun","1,2,4-Diazaphospholide complexes of lanthanum(iii), cerium(iii), neodymium(iii), praseodymium(iii), and samarium(iii): synthesis, X-ray structural characterization, and magnetic susceptibility studies.","Dalton transactions (Cambridge, England : 2003)","2016","45","27","11172","11181","10.1039/c6dt00696e","","x-ray","0.71073","MoKα","","0.1398","0.0778","","","0.1627","0.1963","","","","","","1.027","","","","has coordinates","185408","2020-10-21","18:00:00",""
"7039521","26.1247","0.0009","14.7156","0.0004","21.3571","0.0007","90","","109.538","0.004","90","","7737.8","0.5","100","0.1","100","0.1","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C64 H120 K N8 O6 P4 Sm -","- C64 H120 K N8 O6 P4 Sm -","- C256 H480 K4 N32 O24 P16 Sm4 -","4","1","","Zhao, Minggang; Wang, Lixia; Li, Pangpang; Ma, Jianping; Zheng, Wenjun","1,2,4-Diazaphospholide complexes of lanthanum(iii), cerium(iii), neodymium(iii), praseodymium(iii), and samarium(iii): synthesis, X-ray structural characterization, and magnetic susceptibility studies.","Dalton transactions (Cambridge, England : 2003)","2016","45","27","11172","11181","10.1039/c6dt00696e","","x-ray","1.54184","CuKα","","0.0738","0.0603","","","0.1433","0.1548","","","","","","1.072","","","","has coordinates","185408","2020-10-21","18:00:00",""
"7039522","9.4857","0.0019","16.519","0.003","30.909","0.006","103.94","0.02","91.56","0.05","91.38","0.04","4696.5","1.6","200","","200","","","","","","","","","8","P -1","-P 1","2","","","","- C99.24 H113.02 B1.5 Cl0.5 F6.02 N6 O7.47 Zn -","- C99.233 H113 B1.504 Cl0.496 F6.016 N6 O7.471 Zn -","- C198.466 H226 B3.008 Cl0.992 F12.032 N12 O14.942 Zn2 -","2","1","","Bakkar, Assil; Cobo, Saioa; Lafolet, Frédéric; Roldan, Diego; Jacquet, Margot; Bucher, Christophe; Royal, Guy; Saint-Aman, Eric","Dimethyldihydropyrene-cyclophanediene photochromic couple functionalized with terpyridyl metal complexes as multi-addressable redox- and photo-switches.","Dalton transactions (Cambridge, England : 2003)","2016","45","35","13700","13708","10.1039/c6dt00843g","","x-ray","0.71073","MoKα","","0.2038","0.1635","","","0.3959","0.4251","","","","","","1.147","","","","has coordinates,has disorder","186389","2020-10-21","18:00:00",""
"7039523","9.705","0.003","16.342","0.005","12.564","0.004","90","","95.886","0.013","90","","1982.1","1.1","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C28 H18 N2 O -","- C28 H18 N2 O -","- C112 H72 N8 O4 -","4","2","","Ghosh, Soumen; Ganguly, Aniruddha; Uddin, Md Raihan; Mandal, Sukhendu; Alam, Md Akhtarul; Guchhait, Nikhil","Dual mode selective chemosensor for copper and fluoride ions: a fluorometric, colorimetric and theoretical investigation.","Dalton transactions (Cambridge, England : 2003)","2016","45","27","11042","11051","10.1039/c6dt00968a","","","0.71073","MoKα","","0.212","0.0813","","","0.1807","0.2518","","","","","","1.018","","","","has coordinates","185410","2020-10-21","18:00:00",""
"7039524","14.835","0.007","16.985","0.008","17.058","0.008","92.394","0.006","113.914","0.0015","112.016","0.005","3546","3","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C32 H76 Cl4 N12 O32 Pt4 Rh3 -","- C32 H84 Cl4 N14 O30 Pt4 Rh3 -","- C64 H168 Cl8 N28 O60 Pt8 Rh6 -","2","1","","Yamada, Tomofumi; Ebihara, Masahiro; Uemura, Kazuhiro","Heterometallic one-dimensional chain with tetradeca metal repetition constructed by amidate bridged dirhodium and pivalate bridged diplatinum complexes influenced by hydrogen bonding.","Dalton transactions (Cambridge, England : 2003)","2016","45","31","12322","12328","10.1039/c6dt01601d","","","0.7107","MoKα","","0.147","0.0842","","","0.1815","0.2229","","","","","","1.003","","","","has coordinates,has disorder","185455","2020-10-21","18:00:00",""
"7039525","12.1325","0.0011","21.616","0.002","17.5035","0.0015","90","","102.705","0.004","90","","4478","0.7","100","1","100","1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C47 H41 Al F15 Ga N2 -","- C47 H41 Al F15 Ga N2 -","- C188 H164 Al4 F60 Ga4 N8 -","4","1","","Ganesamoorthy, C.; Matthias, M.; Bläser, D; Wölper, C; Schulz, S.","Lewis acid-base adducts of group 13 elements: synthesis, structure and reactivity toward benzaldehyde.","Dalton transactions (Cambridge, England : 2003)","2016","45","28","11437","11444","10.1039/c6dt01688j","","","0.71073","MoKα","","0.0345","0.0282","","","0.0729","0.077","","","","","","1.034","","","","has coordinates","185494","2020-10-21","18:00:00",""
"7039526","7.423","0.0005","11.13","0.0008","11.2132","0.0008","104.138","0.004","106.229","0.004","93.986","0.004","853.06","0.11","100","1","100","1","","","","","","","","5","P -1","-P 1","2","","","","- C38 H14 F20 Ga2 O2 -","- C38 H14 F20 Ga2 O2 -","- C38 H14 F20 Ga2 O2 -","1","0.5","","Ganesamoorthy, C.; Matthias, M.; Bläser, D; Wölper, C; Schulz, S.","Lewis acid-base adducts of group 13 elements: synthesis, structure and reactivity toward benzaldehyde.","Dalton transactions (Cambridge, England : 2003)","2016","45","28","11437","11444","10.1039/c6dt01688j","","","0.71073","MoKα","","0.0552","0.0399","","","0.091","0.098","","","","","","1.065","","","","has coordinates","185494","2020-10-21","18:00:00",""
"7039527","12.1241","0.0009","21.6245","0.0016","17.4652","0.0013","90","","103.146","0.003","90","","4459","0.6","100","1","100","1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C47 H41 F15 Ga2 N2 -","- C47 H41 F15 Ga2 N2 -","- C188 H164 F60 Ga8 N8 -","4","1","","Ganesamoorthy, C.; Matthias, M.; Bläser, D; Wölper, C; Schulz, S.","Lewis acid-base adducts of group 13 elements: synthesis, structure and reactivity toward benzaldehyde.","Dalton transactions (Cambridge, England : 2003)","2016","45","28","11437","11444","10.1039/c6dt01688j","","","0.71073","MoKα","","0.0381","0.0266","","","0.0642","0.0691","","","","","","1.023","","","","has coordinates","185494","2020-10-21","18:00:00",""
"7039528","12.2876","0.0008","20.8316","0.0013","20.7404","0.0012","90","","107.336","0.003","90","","5067.8","0.5","100","1","100","1","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C54 H47 B F15 Ga N2 O -","- C54 H47 B F15 Ga N2 O -","- C216 H188 B4 F60 Ga4 N8 O4 -","4","1","","Ganesamoorthy, C.; Matthias, M.; Bläser, D; Wölper, C; Schulz, S.","Lewis acid-base adducts of group 13 elements: synthesis, structure and reactivity toward benzaldehyde.","Dalton transactions (Cambridge, England : 2003)","2016","45","28","11437","11444","10.1039/c6dt01688j","","","0.71073","MoKα","","0.1115","0.0502","","","0.1117","0.1512","","","","","","1.102","","","","has coordinates","185494","2020-10-21","18:00:00",""
"7039529","13.0689","0.0008","11.2535","0.0006","15.4306","0.0009","90","","105.908","0.001","90","","2182.5","0.2","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C15 H25 Eu N2 O16 -","- C15 H25 Eu N2 O16 -","- C60 H100 Eu4 N8 O64 -","4","0.5","","Feyisa Bogale, Raji; Ye, Junwei; Sun, Yuan; Sun, Tongxin; Zhang, Siqi; Rauf, Abdul; Hang, Cheng; Tian, Peng; Ning, Guiling","Highly selective and sensitive detection of metal ions and nitroaromatic compounds by an anionic europium(iii) coordination polymer.","Dalton transactions (Cambridge, England : 2003)","2016","45","27","11137","11144","10.1039/c6dt01636g","","","0.71073","MoKα","","0.0233","0.0218","","","0.0522","0.0532","","","","","","1.087","","","","has coordinates,has disorder","185391","2020-10-21","18:00:00",""
"7039530","9.3083","0.0017","9.9603","0.0016","25.244","0.004","95.668","0.012","93.889","0.013","104.959","0.013","2239.5","0.7","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C68 H72 F36 N14 O2 P6 Pt2 -","- C68 H72 F36 N14 O2 P6 Pt2 -","- C68 H72 F36 N14 O2 P6 Pt2 -","1","0.5","","Alvariño, Cristina; Platas-Iglesias, Carlos; Blanco, Víctor; García, Marcos D; Peinador, Carlos; Quintela, José M","Stimuli-responsive metal-directed self-assembly of a ring-in-ring complex.","Dalton transactions (Cambridge, England : 2003)","2016","45","29","11611","11615","10.1039/c6dt01835a","","","0.71073","MoKα","","0.0423","0.0351","","","0.0888","0.0953","","","","","","1.089","","","","has coordinates,has disorder","185475","2020-10-21","18:00:00",""
"7039531","9.8944","0.0012","21.026","0.003","17.789","0.002","90","","96.496","0.007","90","","3677.1","0.8","150","2","150","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","1-diphenylphosphino-8-triphenylstibonium-naphthalene-triflate","1-diphenylphosphino-8-triphenylstibonium-naphthalene-triflate","","- C41 H31 F3 O3 P S Sb -","- C41 H31 F3 O3 P S Sb -","- C164 H124 F12 O12 P4 S4 Sb4 -","4","1","","Arias Ugarte, Renzo; Devarajan, Deepa; Mushinski, Ryan M.; Hudnall, Todd W.","Antimony(v) cations for the selective catalytic transformation of aldehydes into symmetric ethers, α,β-unsaturated aldehydes, and 1,3,5-trioxanes.","Dalton transactions (Cambridge, England : 2003)","2016","45","27","11150","11161","10.1039/c6dt02121b","","","0.71075","MoKα","","0.0611","0.0421","","","0.0947","0.1059","","","","","","1.007","","","","has coordinates","185394","2020-10-21","18:00:00",""
"7039532","11.925","0.005","14.713","0.005","15.876","0.005","101.331","0.005","91.09","0.005","100.225","0.005","2683.6","1.7","100","","100","","","","","","","","","8","P -1","-P 1","2","","","","- C56 H47 Cl5 F6 N3 O P3 Ru -","- C56 H47 Cl5 F6 N3 O P3 Ru -","- C112 H94 Cl10 F12 N6 O2 P6 Ru2 -","2","1","","Paul, Bhaskar; Chakrabarti, Kaushik; Kundu, Sabuj","Optimum bifunctionality in a 2-(2-pyridyl-2-ol)-1,10-phenanthroline based ruthenium complex for transfer hydrogenation of ketones and nitriles: impact of the number of 2-hydroxypyridine fragments.","Dalton transactions (Cambridge, England : 2003)","2016","45","27","11162","11171","10.1039/c6dt01961g","","","0.71069","MoKα","","0.0949","0.0706","","","0.1911","0.237","","","","","","1.062","","","","has coordinates","185395","2020-10-21","18:00:00",""
"7039533","10.058","0.005","23.924","0.005","22.914","0.005","90","","98.455","0.005","90","","5454","3","100","","100","","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C62 H50 Cl F6 N3 O P3 Ru -","- C62 H50 Cl F6 N3 O P3 Ru -","- C248 H200 Cl4 F24 N12 O4 P12 Ru4 -","4","1","","Paul, Bhaskar; Chakrabarti, Kaushik; Kundu, Sabuj","Optimum bifunctionality in a 2-(2-pyridyl-2-ol)-1,10-phenanthroline based ruthenium complex for transfer hydrogenation of ketones and nitriles: impact of the number of 2-hydroxypyridine fragments.","Dalton transactions (Cambridge, England : 2003)","2016","45","27","11162","11171","10.1039/c6dt01961g","","","0.71069","MoKα","","0.0896","0.063","","","0.1356","0.1451","","","","","","1.112","","","","has coordinates","185395","2020-10-21","18:00:00",""
"7039534","12.7199","0.0005","22.5919","0.0006","12.8072","0.0005","90","","119.035","0.005","90","","3217.8","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H16 B8 O26 Pr2 -","- C24 H14 B8 O26 Pr2 -","- C96 H56 B32 O104 Pr8 -","4","1","","Li, Lei-Lei; Pan, Rui; Zhao, Jun-Wei; Yang, Bai-Feng; Yang, Guo-Yu","Two novel pillared-layer lanthanide borates built by Ln@B12O28/29 ring clusters and dicarboxylate linkers (Ln = Pr, Nd).","Dalton transactions (Cambridge, England : 2003)","2016","45","29","11628","11632","10.1039/c6dt01909a","","","0.71073","MoKα","","0.0336","0.0298","","","0.1099","0.1132","","","","","","1.048","","","","has coordinates","185481","2020-10-21","18:00:00",""
"7039535","12.6812","0.0006","22.5579","0.0007","12.7742","0.0005","90","","119.103","0.006","90","","3192.8","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H16 B8 Nd2 O26 -","- C24 H14 B8 Nd2 O26 -","- C96 H56 B32 Nd8 O104 -","4","1","","Li, Lei-Lei; Pan, Rui; Zhao, Jun-Wei; Yang, Bai-Feng; Yang, Guo-Yu","Two novel pillared-layer lanthanide borates built by Ln@B12O28/29 ring clusters and dicarboxylate linkers (Ln = Pr, Nd).","Dalton transactions (Cambridge, England : 2003)","2016","45","29","11628","11632","10.1039/c6dt01909a","","","0.71073","MoKα","","0.0335","0.0257","","","0.0651","0.0679","","","","","","1.003","","","","has coordinates","185481","2020-10-21","18:00:00",""
"7039536","15.152","0.002","15.861","0.002","19.966","0.002","90","","90","","90","","4798.3","1","200","2","200","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C47 H70 N2 O5 W -","- C47 H70 N2 O5 W -","- C188 H280 N8 O20 W4 -","4","1","","Badetti, Elena; Romano, Francesco; Marchiò, Luciano; Taşkesenlioğlu, Sara; Daştan, Arif; Zonta, Cristiano; Licini, Giulia","Effective bromo and chloro peroxidation catalysed by tungsten(vi) amino triphenolate complexes.","Dalton transactions (Cambridge, England : 2003)","2016","45","37","14603","14608","10.1039/c6dt01780k","","","0.71073","MoKα","","0.0445","0.0353","","","0.077","0.0812","","","","","","1.007","","","","has coordinates,has disorder","187139","2020-10-21","18:00:00",""
"7039537","14.31","0.001","35.387","0.003","22.396","0.002","90","","106.356","0.001","90","","10882.1","1.5","293","2","293","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C51.5 H84 N2 O5.5 W -","- C51.5 H82 N2 O5.5 W -","- C412 H656 N16 O44 W8 -","8","2","","Badetti, Elena; Romano, Francesco; Marchiò, Luciano; Taşkesenlioğlu, Sara; Daştan, Arif; Zonta, Cristiano; Licini, Giulia","Effective bromo and chloro peroxidation catalysed by tungsten(vi) amino triphenolate complexes.","Dalton transactions (Cambridge, England : 2003)","2016","45","37","14603","14608","10.1039/c6dt01780k","","","0.71073","MoKα","","0.0972","0.0559","","","0.1308","0.1477","","","","","","1.074","","","","has coordinates,has disorder","187139","2020-10-21","18:00:00",""
"7039538","10.6249","0.0005","21.9891","0.0011","19.0941","0.0009","90","","94.695","0.001","90","","4446","0.4","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C53 H59 Al N2 O3 -","- C53 H59 Al N2 O3 -","- C212 H236 Al4 N8 O12 -","4","1","","Moskalev, M. V.; Lukoyanov, A. N.; Baranov, E. V.; Fedushkin, I. L.","Unexpected reactivity of an alkylaluminum complex of a non-innocent 1,2-bis[(2,6-diisopropylphenyl)imino]acenaphthene ligand (dpp-bian).","Dalton transactions (Cambridge, England : 2003)","2016","45","40","15872","15878","10.1039/c6dt01750a","","","0.71073","MoKα","","0.0603","0.0443","","","0.115","0.1223","","","","","","1.052","","","","has coordinates,has disorder","188206","2020-10-21","18:00:00",""
"7039539","14.8988","0.0004","16.8722","0.0005","36.5541","0.0011","90","","90","","90","","9188.8","0.5","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C53 H69 Al N2 O -","- C53 H69 Al N2 O -","- C424 H552 Al8 N16 O8 -","8","1","","Moskalev, M. V.; Lukoyanov, A. N.; Baranov, E. V.; Fedushkin, I. L.","Unexpected reactivity of an alkylaluminum complex of a non-innocent 1,2-bis[(2,6-diisopropylphenyl)imino]acenaphthene ligand (dpp-bian).","Dalton transactions (Cambridge, England : 2003)","2016","45","40","15872","15878","10.1039/c6dt01750a","","","0.71073","MoKα","","0.0846","0.0456","","","0.1015","0.1119","","","","","","1.003","","","","has coordinates","188206","2020-10-21","18:00:00",""
"7039540","12.1969","0.0004","14.9121","0.0005","19.8954","0.0007","80.879","0.001","76.976","0.001","66.171","0.001","3215.73","0.19","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C76 H92 Al2 N4 O -","- C76 H92 Al2 N4 O -","- C152 H184 Al4 N8 O2 -","2","1","","Moskalev, M. V.; Lukoyanov, A. N.; Baranov, E. V.; Fedushkin, I. L.","Unexpected reactivity of an alkylaluminum complex of a non-innocent 1,2-bis[(2,6-diisopropylphenyl)imino]acenaphthene ligand (dpp-bian).","Dalton transactions (Cambridge, England : 2003)","2016","45","40","15872","15878","10.1039/c6dt01750a","","","0.71073","MoKα","","0.074","0.0472","","","0.1123","0.1225","","","","","","0.997","","","","has coordinates","188206","2020-10-21","18:00:00",""
"7039541","18.894","0.004","13.578","0.003","14.4","0.003","90","","90","","90","","3694.2","1.4","100","2","100","2","","","","","","","","6","P n a 21","P 2c -2n","33","","(2,9-dimesityl-1,10-phenanthroline)(1,10-phenanthroline)copper(I) hexafluorophosphate","","- C42 H36 Cu F6 N4 P -","- C42 H36 Cu F6 N4 P -","- C168 H144 Cu4 F24 N16 P4 -","4","1","","Kohler, Lars; Hayes, Dugan; Hong, Jiyun; Carter, Tyler J.; Shelby, Megan L.; Fransted, Kelly A.; Chen, Lin X.; Mulfort, Karen L.","Synthesis, structure, ultrafast kinetics, and light-induced dynamics of CuHETPHEN chromophores.","Dalton transactions (Cambridge, England : 2003)","2016","45","24","9871","9883","10.1039/c6dt00324a","","","0.71073","MoKα","","0.0906","0.0766","","","0.1938","0.2028","","","","","","1.035","","","","has coordinates,has disorder","183517","2020-10-21","18:00:00",""
"7039542","13.3154","0.0007","21.425","0.0011","13.5787","0.0007","90","","99.9985","0.0007","90","","3814.9","0.3","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","(2,9-dimesityl-1,10-phenanthroline)(2,9-dimethyl-1,10-phenanthroline)copper(I) hexafluorophosphate","","- C44 H40 Cu F6 N4 P -","- C44 H40 Cu F6 N4 P -","- C176 H160 Cu4 F24 N16 P4 -","4","1","","Kohler, Lars; Hayes, Dugan; Hong, Jiyun; Carter, Tyler J.; Shelby, Megan L.; Fransted, Kelly A.; Chen, Lin X.; Mulfort, Karen L.","Synthesis, structure, ultrafast kinetics, and light-induced dynamics of CuHETPHEN chromophores.","Dalton transactions (Cambridge, England : 2003)","2016","45","24","9871","9883","10.1039/c6dt00324a","","","0.71073","MoKα","","0.0477","0.0403","","","0.1116","0.1166","","","","","","1.042","","","","has coordinates","183517","2020-10-21","18:00:00",""
"7039543","12.2119","0.0007","19.4616","0.001","18.3772","0.001","90","","105.972","0.001","90","","4199","0.4","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","(2,9-dimesityl-1,10-phenanthroline)(2,9-dimethyl-5,6-dihydro-1,10-phenanthroline-5,6-epoxide)copper(I) hexafluorophosphate","","- C47 H46 Cu F6 N4 O2 P -","- C47 H46 Cu F6 N4 O2 P -","- C188 H184 Cu4 F24 N16 O8 P4 -","4","1","","Kohler, Lars; Hayes, Dugan; Hong, Jiyun; Carter, Tyler J.; Shelby, Megan L.; Fransted, Kelly A.; Chen, Lin X.; Mulfort, Karen L.","Synthesis, structure, ultrafast kinetics, and light-induced dynamics of CuHETPHEN chromophores.","Dalton transactions (Cambridge, England : 2003)","2016","45","24","9871","9883","10.1039/c6dt00324a","","","0.71073","MoKα","","0.0426","0.0344","","","0.086","0.0903","","","","","","1.035","","","","has coordinates","183517","2020-10-21","18:00:00",""
"7039544","8.6557","0.0019","13.346","0.003","21.148","0.005","94.225","0.005","92.885","0.004","106.421","0.005","2330.5","0.9","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C21 H25 Cl2 N3 Pd S -","- C21 H25 Cl2 N3 Pd S -","- C84 H100 Cl8 N12 Pd4 S4 -","4","2","","Kumar, Satyendra; Saleem, Fariha; Singh, Ajai K.","'Click' generated 1,2,3-triazole based organosulfur/selenium ligands and their Pd(ii) and Ru(ii) complexes: their synthesis, structure and catalytic applications.","Dalton transactions (Cambridge, England : 2003)","2016","45","28","11445","11458","10.1039/c6dt01406b","","","0.71073","MoKα","","0.1416","0.0987","","","0.1665","0.1822","","","","","","1.18","","","","has coordinates","185499","2020-10-21","18:00:00",""
"7039545","8.6059","0.0013","13.194","0.002","21.17","0.003","94.485","0.003","93.455","0.003","106.073","0.003","2294.3","0.6","198","2","198","2","","","","","","","","6","P -1","-P 1","2","","","","- C21 H25 Cl2 N3 Pd Se -","- C21 H25 Cl2 N3 Pd Se -","- C84 H100 Cl8 N12 Pd4 Se4 -","4","2","","Kumar, Satyendra; Saleem, Fariha; Singh, Ajai K.","'Click' generated 1,2,3-triazole based organosulfur/selenium ligands and their Pd(ii) and Ru(ii) complexes: their synthesis, structure and catalytic applications.","Dalton transactions (Cambridge, England : 2003)","2016","45","28","11445","11458","10.1039/c6dt01406b","","","0.71073","MoKα","","0.0495","0.0368","","","0.0888","0.0972","","","","","","1.004","","","","has coordinates","185499","2020-10-21","18:00:00",""
"7039546","9.624","0.003","19.312","0.006","16.689","0.005","90","","100.152","0.005","90","","3053.2","1.6","298","2","298","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C27 H31 Cl F6 N3 P Ru S -","- C27 H31 Cl F6 N3 P Ru S -","- C108 H124 Cl4 F24 N12 P4 Ru4 S4 -","4","1","","Kumar, Satyendra; Saleem, Fariha; Singh, Ajai K.","'Click' generated 1,2,3-triazole based organosulfur/selenium ligands and their Pd(ii) and Ru(ii) complexes: their synthesis, structure and catalytic applications.","Dalton transactions (Cambridge, England : 2003)","2016","45","28","11445","11458","10.1039/c6dt01406b","","","0.71073","MoKα","","0.0627","0.0482","","","0.1261","0.1341","","","","","","1.05","","","","has coordinates","185499","2020-10-21","18:00:00",""
"7039547","9.7255","0.0007","19.3313","0.0013","16.6941","0.0011","90","","100.364","0.001","90","","3087.4","0.4","298","2","298","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C27 H31 Cl F6 N3 P Ru Se -","- C27 H31 Cl F6 N3 P Ru Se -","- C108 H124 Cl4 F24 N12 P4 Ru4 Se4 -","4","1","","Kumar, Satyendra; Saleem, Fariha; Singh, Ajai K.","'Click' generated 1,2,3-triazole based organosulfur/selenium ligands and their Pd(ii) and Ru(ii) complexes: their synthesis, structure and catalytic applications.","Dalton transactions (Cambridge, England : 2003)","2016","45","28","11445","11458","10.1039/c6dt01406b","","","0.71073","MoKα","","0.0546","0.0448","","","0.1155","0.1215","","","","","","1.028","","","","has coordinates","185499","2020-10-21","18:00:00",""
"7039548","9.3304","0.0019","22.004","0.007","14.487","0.004","90","","92.699","0.019","90","","2971","1.4","200","2","200","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C34 H26 Al D6 K O -","- C34 H26 Al D6 K O -","- C136 H104 Al4 D24 K4 O4 -","4","1","","Fernández-Millán, María; Temprado, Manuel; Cano, Jesús; Cuenca, Tomás; Mosquera, Marta E. G.","Synthesis of novel chiral heterometallic terpene oximates: unusual generation of an aluminium enolate by a cooperative effect.","Dalton transactions (Cambridge, England : 2003)","2016","45","26","10514","10518","10.1039/c6dt02116f","","","0.71073","MoKα","","0.1551","0.072","","","0.1425","0.1648","","","","","","1.026","","","","has coordinates","185352","2020-10-21","18:00:00",""
"7039549","32.214","0.011","11.964","0.008","15.575","0.014","90","","90","","90","","6003","7","200","2","200","","","","","","","","","7","P 21 21 2","P 2 2ab","18","","","","- C58 H77 Al2 D6 K2 N4 O2 -","- C52 H64 Al2 K2 N4 O2 -","- C208 H256 Al8 K8 N16 O8 -","4","1","","Fernández-Millán, María; Temprado, Manuel; Cano, Jesús; Cuenca, Tomás; Mosquera, Marta E. G.","Synthesis of novel chiral heterometallic terpene oximates: unusual generation of an aluminium enolate by a cooperative effect.","Dalton transactions (Cambridge, England : 2003)","2016","45","26","10514","10518","10.1039/c6dt02116f","","x-ray","0.71073","MoKα","","0.1572","0.0998","","","0.2245","0.2563","","","","","","1.014","","","","has coordinates","185352","2020-10-21","18:00:00",""
"7039550","11.9997","0.0017","32.297","0.009","15.606","0.007","90","","90","","90","","6048","3","200","2","200","2","","","","","","","","7","P 21 21 2","P 2 2ab","18","","","","- C58 H77 Al2 D6 K2 N4 O2 -","- C52 H64 Al2 K2 N4 O2 -","- C208 H256 Al8 K8 N16 O8 -","4","1","","Fernández-Millán, María; Temprado, Manuel; Cano, Jesús; Cuenca, Tomás; Mosquera, Marta E. G.","Synthesis of novel chiral heterometallic terpene oximates: unusual generation of an aluminium enolate by a cooperative effect.","Dalton transactions (Cambridge, England : 2003)","2016","45","26","10514","10518","10.1039/c6dt02116f","","","0.71073","MoKα","","0.1028","0.079","","","0.206","0.2251","","","","","","1.011","","","","has coordinates","185352","2020-10-21","18:00:00",""
"7039551","31.579","0.005","11.8642","0.0011","15.4746","0.0014","90","","90","","90","","5797.7","1.2","200","2","200","2","","","","","","","","7","P 21 21 2","P 2 2ab","18","","","","- C56.5 H64 Al2 D15 K2 N4 O2 -","- C53 H60 Al2 D15 K2 N4 O2 -","- C212 H240 Al8 D60 K8 N16 O8 -","4","1","","Fernández-Millán, María; Temprado, Manuel; Cano, Jesús; Cuenca, Tomás; Mosquera, Marta E. G.","Synthesis of novel chiral heterometallic terpene oximates: unusual generation of an aluminium enolate by a cooperative effect.","Dalton transactions (Cambridge, England : 2003)","2016","45","26","10514","10518","10.1039/c6dt02116f","","","0.71073","MoKα","","0.082","0.0584","","","0.1398","0.154","","","","","","1.045","","","","has coordinates","185352","2020-10-21","18:00:00",""
"7039552","28.198","0.002","8.858","0.0006","16.957","0.0014","90","","117.956","0.003","90","","3741.2","0.5","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C16 H17 Cl4 N3 Pt -","- C16 H17 Cl4 N3 Pt -","- C128 H136 Cl32 N24 Pt8 -","8","1","","Bouché, M; Dahm, G.; Wantz, M.; Fournel, S.; Achard, T.; Bellemin-Laponnaz, S","Platinum(iv) N-heterocyclic carbene complexes: their synthesis, characterisation and cytotoxic activity.","Dalton transactions (Cambridge, England : 2003)","2016","45","28","11362","11368","10.1039/c6dt01846g","","","0.71073","MoKα","","0.1503","0.0619","","","0.1278","0.1802","","","","","","1.042","","","","has coordinates","185503","2020-10-21","18:00:00",""
"7039553","16.5327","0.0012","12.0477","0.0008","27.564","0.002","90","","97.271","0.004","90","","5446.1","0.7","100","","100","1","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C50 H75 F3 N O7.5 P2 S Ti -","- C44 H60 F3 N O6 P2 S Ti -","- C176 H240 F12 N4 O24 P8 S4 Ti4 -","4","1","","Solowey, Douglas P.; Kurogi, Takashi; Manor, Brian C.; Carroll, Patrick J.; Mindiola, Daniel J.","Metallo-Wittig chemistry of an alkylidene to form a terminal titanium oxo complex.","Dalton transactions (Cambridge, England : 2003)","2016","45","40","15894","15901","10.1039/c6dt01534d","","","0.71073","MoKα","","0.0758","0.0539","","","0.1519","0.1618","","","","","","1.051","","","","has coordinates","188221","2020-10-21","18:00:00",""
"7039554","11.4489","0.0003","21.9022","0.0006","23.9798","0.0006","90","","101.442","0.002","90","","5893.6","0.3","100","","100","1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C69 H81 N O2 P2 Ti -","- C69 H81 N O2 P2 Ti -","- C276 H324 N4 O8 P8 Ti4 -","4","1","","Solowey, Douglas P.; Kurogi, Takashi; Manor, Brian C.; Carroll, Patrick J.; Mindiola, Daniel J.","Metallo-Wittig chemistry of an alkylidene to form a terminal titanium oxo complex.","Dalton transactions (Cambridge, England : 2003)","2016","45","40","15894","15901","10.1039/c6dt01534d","","","0.71073","MoKα","","0.0958","0.0595","","","0.1466","0.1704","","","","","","1.064","","","","has coordinates,has disorder","188221","2020-10-21","18:00:00",""
"7039555","7.9155","0.0005","9.4118","0.0008","10.9072","0.0009","92.056","0.005","96.772","0.004","108.294","0.004","763.83","0.1","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C34 H44 Li2 N2 O2 -","- C34 H44 Li2 N2 O2 -","- C34 H44 Li2 N2 O2 -","1","0.5","","Greer, Jamie A.; Blair, Victoria L.; Thompson, Christopher D.; Andrews, Philip C.","Simplifying metal-'ate' chemistry: formation and comprehensive characterisation of a homo-metallic amido lithiate complex.","Dalton transactions (Cambridge, England : 2003)","2016","45","27","10887","10890","10.1039/c6dt01630h","","","0.71073","MoKα","","0.0806","0.0509","","","0.1355","0.1496","","","","","","1.016","","","","has coordinates","185409","2020-10-21","18:00:00",""
"7039556","9.17","0.003","24.337","0.009","33.568","0.011","90","","90","","90","","7491","4","123","2","123","2","","","","","","","","4","F d d 2","F 2 -2d","43","","","","- C38 H56 Li2 N6 -","- C38 H56 Li2 N6 -","- C304 H448 Li16 N48 -","8","0.5","","Greer, Jamie A.; Blair, Victoria L.; Thompson, Christopher D.; Andrews, Philip C.","Simplifying metal-'ate' chemistry: formation and comprehensive characterisation of a homo-metallic amido lithiate complex.","Dalton transactions (Cambridge, England : 2003)","2016","45","27","10887","10890","10.1039/c6dt01630h","","","0.71073","MoKα","","0.1087","0.0837","","","0.2389","0.2657","","","","","","1.056","","","","has coordinates,has disorder","185409","2020-10-21","18:00:00",""
"7039557","9.0445","0.0008","15.2792","0.0011","15.5861","0.0013","90","","90","","90","","2153.9","0.3","123","2","123","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C22 H35 Li N4 -","- C21.997 H35 Li N4 -","- C87.988 H140 Li4 N16 -","4","1","","Greer, Jamie A.; Blair, Victoria L.; Thompson, Christopher D.; Andrews, Philip C.","Simplifying metal-'ate' chemistry: formation and comprehensive characterisation of a homo-metallic amido lithiate complex.","Dalton transactions (Cambridge, England : 2003)","2016","45","27","10887","10890","10.1039/c6dt01630h","","","0.71073","MoKα","","0.0434","0.0355","","","0.0821","0.0866","","","","","","1.041","","","","has coordinates,has disorder","185409","2020-10-21","18:00:00",""
"7039558","12.6423","0.0004","12.9539","0.0004","21.9518","0.0007","89.6031","0.0017","74.4605","0.0015","75.7836","0.0015","3350.82","0.19","120","","120","","","","","","","","","7","P -1","-P 1","2","","","","- C63 H103 Co N5 O P3 Zr -","- C63 H103 Co N5 O P3 Zr -","- C126 H206 Co2 N10 O2 P6 Zr2 -","2","1","","Krogman, Jeremy P.; Bezpalko, Mark W.; Foxman, Bruce M.; Thomas, Christine M.","Multi-electron redox processes at a Zr(iv) center facilitated by an appended redox-active cobalt-containing metalloligand.","Dalton transactions (Cambridge, England : 2003)","2016","45","27","11182","11190","10.1039/c6dt01498d","","","0.71073","MoKα","","0.0713","0.0505","","0.1307","0.1216","0.1307","","","","","","0.9534","","","","has coordinates,has disorder","185393","2020-10-21","18:00:00",""
"7039559","19.1053","0.0005","11.8605","0.0003","28.6132","0.0007","90","","92.553","0.001","90","","6477.3","0.3","120","","120","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C64 H109 Co N5 O P3 Zr -","- C64 H109 Co N5 O P3 Zr -","- C256 H436 Co4 N20 O4 P12 Zr4 -","4","1","","Krogman, Jeremy P.; Bezpalko, Mark W.; Foxman, Bruce M.; Thomas, Christine M.","Multi-electron redox processes at a Zr(iv) center facilitated by an appended redox-active cobalt-containing metalloligand.","Dalton transactions (Cambridge, England : 2003)","2016","45","27","11182","11190","10.1039/c6dt01498d","","","0.71073","MoKα","","0.0492","0.0323","","0.0816","0.0669","0.0816","","","","","","1","","","","has coordinates,has disorder","185393","2020-10-21","18:00:00",""
"7039560","11.867","0.0003","22.1741","0.0006","23.7819","0.0007","90","","93.5286","0.0014","90","","6246.1","0.3","120","","120","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C63 H94 Co N6 P3 Zr -","- C63 H94 Co N6 P3 Zr -","- C252 H376 Co4 N24 P12 Zr4 -","4","1","","Krogman, Jeremy P.; Bezpalko, Mark W.; Foxman, Bruce M.; Thomas, Christine M.","Multi-electron redox processes at a Zr(iv) center facilitated by an appended redox-active cobalt-containing metalloligand.","Dalton transactions (Cambridge, England : 2003)","2016","45","27","11182","11190","10.1039/c6dt01498d","","","0.71073","MoKα","","0.0411","0.03","","0.0766","0.0689","0.0766","","","","","","0.9962","","","","has coordinates,has disorder","185393","2020-10-21","18:00:00",""
"7039561","15.3717","0.0004","16.3072","0.0004","27.7262","0.0007","87.6338","0.0011","86.3298","0.0011","69.9841","0.0012","6515.5","0.3","120","","120","","","","","","","","","7","P -1","-P 1","2","","","","- C59 H95 Co N5 O P3 Zr -","- C59 H95 Co N5 O P3 Zr -","- C236 H380 Co4 N20 O4 P12 Zr4 -","4","2","","Krogman, Jeremy P.; Bezpalko, Mark W.; Foxman, Bruce M.; Thomas, Christine M.","Multi-electron redox processes at a Zr(iv) center facilitated by an appended redox-active cobalt-containing metalloligand.","Dalton transactions (Cambridge, England : 2003)","2016","45","27","11182","11190","10.1039/c6dt01498d","","","0.71073","MoKα","","0.0716","0.0468","","0.1088","0.1013","0.1088","","","","","","0.9702","","","","has coordinates,has disorder","185393","2020-10-21","18:00:00",""
"7039562","11.2422","0.0002","15.6852","0.0003","38.683","0.0009","90","","90.0071","0.0014","90","","6821.2","0.2","120","","120","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C67 H104 Co N6 O P3 Zr -","- C67 H104 Co N6 O P3 Zr -","- C268 H416 Co4 N24 O4 P12 Zr4 -","4","1","","Krogman, Jeremy P.; Bezpalko, Mark W.; Foxman, Bruce M.; Thomas, Christine M.","Multi-electron redox processes at a Zr(iv) center facilitated by an appended redox-active cobalt-containing metalloligand.","Dalton transactions (Cambridge, England : 2003)","2016","45","27","11182","11190","10.1039/c6dt01498d","","","0.71073","MoKα","","0.0417","0.0318","","0.0809","0.0702","0.0809","","","","","","1","","","","has coordinates","185393","2020-10-21","18:00:00",""
"7039563","11.202","0.0007","14.3642","0.0009","13.7494","0.001","90","","92.28","0.003","90","","2210.6","0.3","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C23 H36 F2 N3 Ni O2 -","- C23 H36 F2 N3 Ni O2 -","- C92 H144 F8 N12 Ni4 O8 -","4","1","","Zhou, Wen; Watson, Michael B.; Zheng, Shuai; Rath, Nigam P.; Mirica, Liviu M.","Ligand effects on the properties of Ni(iii) complexes: aerobically-induced aromatic cyanation at room temperature.","Dalton transactions (Cambridge, England : 2003)","2016","45","40","15886","15893","10.1039/c6dt02185a","","","0.71073","MoKα","","0.0477","0.0357","","","0.0874","0.094","","","","","","1.022","","","","has coordinates","188209","2020-10-21","18:00:00",""
"7039564","10.747","0.003","11.639","0.003","12.569","0.004","106.335","0.013","95.317","0.018","95.342","0.014","1490.5","0.8","111","2","111","2","","","","","","","","8","P -1","-P 1","2","","","","- C26 H37 Br F6 N4 Ni O P -","- C26 H37 Br F6 N4 Ni O P -","- C52 H74 Br2 F12 N8 Ni2 O2 P2 -","2","1","","Zhou, Wen; Watson, Michael B.; Zheng, Shuai; Rath, Nigam P.; Mirica, Liviu M.","Ligand effects on the properties of Ni(iii) complexes: aerobically-induced aromatic cyanation at room temperature.","Dalton transactions (Cambridge, England : 2003)","2016","45","40","15886","15893","10.1039/c6dt02185a","","","0.71073","MoKα","","0.0644","0.0422","","","0.1022","0.1146","","","","","","1.018","","","","has coordinates","188209","2020-10-21","18:00:00",""
"7039565","9.5192","0.0005","11.0107","0.0006","35.5858","0.0018","90","","90.808","0.003","90","","3729.5","0.3","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C30 H43 F12 N6 Ni O Sb2 -","- C30 H43 F12 N6 Ni O Sb2 -","- C120 H172 F48 N24 Ni4 O4 Sb8 -","4","1","","Zhou, Wen; Watson, Michael B.; Zheng, Shuai; Rath, Nigam P.; Mirica, Liviu M.","Ligand effects on the properties of Ni(iii) complexes: aerobically-induced aromatic cyanation at room temperature.","Dalton transactions (Cambridge, England : 2003)","2016","45","40","15886","15893","10.1039/c6dt02185a","","","0.71073","MoKα","","0.0461","0.0302","","","0.0582","0.0625","","","","","","1.023","","","","has coordinates,has disorder","188209","2020-10-21","18:00:00",""
"7039566","8.4223","0.0007","10.4091","0.0008","11.8757","0.001","100.764","0.009","108.148","0.009","100.314","0.009","940.03","0.16","200","2","200","2","","","","","","","","6","P -1","-P 1","2","","","","- C16 H60 N12 O18 V4 W2 -","- C16 H59.2 N12 O18 V4 W2 -","- C16 H59.2 N12 O18 V4 W2 -","1","0.5","","Rasmussen, Maren; Näther, Christian; van Leusen, Jan; Warzok, Ulrike; Schalley, Christoph A.; Kögerler, Paul; Bensch, Wolfgang","Small, beautiful and magnetically exotic: {V4W2}- and {V4W4}-type polyoxometalates.","Dalton transactions (Cambridge, England : 2003)","2016","45","26","10519","10522","10.1039/c6dt02282k","","","0.71073","MoKα","","0.0369","0.0347","","","0.088","0.0893","","","","","","1.024","","","","has coordinates,has disorder","185344","2020-10-21","18:00:00",""
"7039567","13.1608","0.0007","12.6983","0.0007","27.5889","0.0013","90","","101.296","0.006","90","","4521.3","0.4","180","2","180","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C16 H64 N12 O26 V4 W4 -","- C16 H52 N12 O26 V4 W4 -","- C64 H208 N48 O104 V16 W16 -","4","1","","Rasmussen, Maren; Näther, Christian; van Leusen, Jan; Warzok, Ulrike; Schalley, Christoph A.; Kögerler, Paul; Bensch, Wolfgang","Small, beautiful and magnetically exotic: {V4W2}- and {V4W4}-type polyoxometalates.","Dalton transactions (Cambridge, England : 2003)","2016","45","26","10519","10522","10.1039/c6dt02282k","","","0.71073","MoKα","","0.0493","0.0359","","","0.0839","0.0891","","","","","","0.978","","","","has coordinates","185344","2020-10-21","18:00:00",""
"7039568","14.884","0.003","7.9168","0.0016","14.972","0.003","90","","104.91","0.03","90","","1704.8","0.6","100","","100","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C12 H30 Cl2 Fe N4 -","- C12 H30 Cl2 Fe N4 -","- C48 H120 Cl8 Fe4 N16 -","4","0.5","","Bedford, Robin B.; Brenner, Peter B.; Elorriaga, David; Harvey, Jeremy N.; Nunn, Joshua","The influence of the ligand chelate effect on iron-amine-catalysed Kumada cross-coupling.","Dalton transactions (Cambridge, England : 2003)","2016","45","40","15811","15817","10.1039/c6dt01823h","","","0.71073","MoKα","","0.0588","0.0383","","","0.1083","0.1245","","","","","","0.891","","","","has coordinates","211196","2020-10-21","18:00:00",""
"7039569","8.4114","0.0017","13.145","0.003","13.243","0.003","65.49","0.03","81.5","0.03","81.42","0.03","1311.4","0.6","100","","100","","","","","","","","","5","P -1","-P 1","2","","C14 H32 Cl Fe N4, 3(C2 H3 N), Cl","","- C20 H41 Cl2 Fe N7 -","- C20 H41 Cl2 Fe N7 -","- C40 H82 Cl4 Fe2 N14 -","2","1","","Bedford, Robin B.; Brenner, Peter B.; Elorriaga, David; Harvey, Jeremy N.; Nunn, Joshua","The influence of the ligand chelate effect on iron-amine-catalysed Kumada cross-coupling.","Dalton transactions (Cambridge, England : 2003)","2016","45","40","15811","15817","10.1039/c6dt01823h","","","0.71073","MoKα","","0.0515","0.0512","","","0.1238","0.124","","","","","","1.206","","","","has coordinates","188211","2020-10-21","18:00:00",""
"7039570","15.0139","0.0019","18.539","0.002","21.231","0.003","90","","101.622","0.004","90","","5788.3","1.3","100","","100","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","C21 H21 Fe, 1.5(C7 H8), C18 H48 Cl5 Mg3 N6","","- C49.5 H81 Cl5 Fe Mg3 N6 -","- C49.5 H81 Cl5 Fe Mg3 N6 -","- C198 H324 Cl20 Fe4 Mg12 N24 -","4","1","","Bedford, Robin B.; Brenner, Peter B.; Elorriaga, David; Harvey, Jeremy N.; Nunn, Joshua","The influence of the ligand chelate effect on iron-amine-catalysed Kumada cross-coupling.","Dalton transactions (Cambridge, England : 2003)","2016","45","40","15811","15817","10.1039/c6dt01823h","","","1.54178","CuKα","","0.0608","0.0533","","","0.1415","0.1485","","","","","","1.031","","","","has coordinates,has disorder","188211","2020-10-21","18:00:00",""
"7039571","18.1556","0.0009","9.0431","0.0004","22.1244","0.0014","90","","96.965","0.005","90","","3605.6","0.3","123","2","123","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C45 H40 Cl Cu N2 -","- C45 H40 Cl Cu N2 -","- C180 H160 Cl4 Cu4 N8 -","4","1","","Shaw, Paul; Kennedy, Alan R.; Nelson, David J.","Synthesis and characterisation of an N-heterocyclic carbene with spatially-defined steric impact.","Dalton transactions (Cambridge, England : 2003)","2016","45","29","11772","11780","10.1039/c6dt02100j","","","0.71073","MoKα","","0.0833","0.0519","","","0.0949","0.1078","","","","","","1.04","","","","has coordinates","185490","2020-10-21","18:00:00",""
"7039572","18.2111","0.0008","9.2144","0.0005","21.9147","0.0016","90","","97.416","0.005","90","","3646.6","0.4","123","2","123","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C45 H40 Ag Cl N2 -","- C45 H40 Ag Cl N2 -","- C180 H160 Ag4 Cl4 N8 -","4","1","","Shaw, Paul; Kennedy, Alan R.; Nelson, David J.","Synthesis and characterisation of an N-heterocyclic carbene with spatially-defined steric impact.","Dalton transactions (Cambridge, England : 2003)","2016","45","29","11772","11780","10.1039/c6dt02100j","","","0.71073","MoKα","","0.0778","0.0581","","","0.1358","0.1498","","","","","","1.07","","","","has coordinates,has disorder","185490","2020-10-21","18:00:00",""
"7039573","10.8315","0.0004","24.7675","0.0006","17.4157","0.0005","90","","102.643","0.003","90","","4558.8","0.2","123","2","123","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C52 H49 Cl5 N2 Ni -","- C52 H49 Cl5 N2 Ni -","- C208 H196 Cl20 N8 Ni4 -","4","1","","Shaw, Paul; Kennedy, Alan R.; Nelson, David J.","Synthesis and characterisation of an N-heterocyclic carbene with spatially-defined steric impact.","Dalton transactions (Cambridge, England : 2003)","2016","45","29","11772","11780","10.1039/c6dt02100j","","","0.71073","MoKα","","0.1008","0.0652","","","0.156","0.1854","","","","","","1.039","","","","has coordinates,has disorder","185490","2020-10-21","18:00:00",""
"7039574","9.6593","0.0003","12.5384","0.0005","21.2099","0.0008","78.174","0.003","77.515","0.003","67.464","0.003","2295.19","0.15","123","2","123","2","","","","","","","","5","P -1","-P 1","2","","","","- C53 H52 Cl Ir N2 -","- C53 H52 Cl Ir N2 -","- C106 H104 Cl2 Ir2 N4 -","2","1","","Shaw, Paul; Kennedy, Alan R.; Nelson, David J.","Synthesis and characterisation of an N-heterocyclic carbene with spatially-defined steric impact.","Dalton transactions (Cambridge, England : 2003)","2016","45","29","11772","11780","10.1039/c6dt02100j","","","0.71073","MoKα","","0.0442","0.0352","","","0.0832","0.0864","","","","","","1.049","","","","has coordinates,has disorder","185490","2020-10-21","18:00:00",""
"7039575","14.2041","0.0006","10.6502","0.0004","16.5585","0.0006","90","","95.337","0.004","90","","2494.05","0.17","293","2","293","2","","","","","","","","6","P 1 2/c 1","-P 2yc","13","","","","- C44 H64 Cl2 Co N4 O5 -","- C44 H64 Cl2 Co N4 O5 -","- C88 H128 Cl4 Co2 N8 O10 -","2","0.5","","Deka, Hemanta; Ghosh, Somnath; Saha, Soumen; Gogoi, Kuldeep; Mondal, Biplab","Effect of ligand denticity on the nitric oxide reactivity of cobalt(ii) complexes.","Dalton transactions (Cambridge, England : 2003)","2016","45","27","10979","10988","10.1039/c6dt01169a","","","0.71073","MoKα","","0.0832","0.0654","","","0.2062","0.2232","","","","","","1.154","","","","has coordinates","185403","2020-10-21","18:00:00",""
"7039576","27.9485","0.0017","11.5046","0.0005","8.5689","0.0004","90","","90","","90","","2755.2","0.2","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C24 H39 Cl2 Co N3 O2 -","- C24 H39 Cl2 Co N3 O2 -","- C96 H156 Cl8 Co4 N12 O8 -","4","1","","Deka, Hemanta; Ghosh, Somnath; Saha, Soumen; Gogoi, Kuldeep; Mondal, Biplab","Effect of ligand denticity on the nitric oxide reactivity of cobalt(ii) complexes.","Dalton transactions (Cambridge, England : 2003)","2016","45","27","10979","10988","10.1039/c6dt01169a","","","0.71073","MoKα","","0.0782","0.0581","","","0.1596","0.1795","","","","","","1.083","","","","has coordinates","185403","2020-10-21","18:00:00",""
"7039577","14.6745","0.0009","15.549","0.0009","17.112","0.0011","90","","105.099","0.007","90","","3769.7","0.4","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C36 H54 Cl2 Co N4 O -","- C36 H54 Cl2 Co N4 O -","- C144 H216 Cl8 Co4 N16 O4 -","4","1","","Deka, Hemanta; Ghosh, Somnath; Saha, Soumen; Gogoi, Kuldeep; Mondal, Biplab","Effect of ligand denticity on the nitric oxide reactivity of cobalt(ii) complexes.","Dalton transactions (Cambridge, England : 2003)","2016","45","27","10979","10988","10.1039/c6dt01169a","","","0.71073","MoKα","","0.0681","0.043","","","0.0617","0.0669","","","","","","1.296","","","","has coordinates","185403","2020-10-21","18:00:00",""
"7039578","9.0274","0.0008","12.0143","0.001","14.0393","0.001","70.559","0.007","76.564","0.007","87.579","0.007","1395.5","0.2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C23 H36 Cl Co N4 O7 -","- C23 H36 Cl Co N4 O7 -","- C46 H72 Cl2 Co2 N8 O14 -","2","1","","Deka, Hemanta; Ghosh, Somnath; Saha, Soumen; Gogoi, Kuldeep; Mondal, Biplab","Effect of ligand denticity on the nitric oxide reactivity of cobalt(ii) complexes.","Dalton transactions (Cambridge, England : 2003)","2016","45","27","10979","10988","10.1039/c6dt01169a","","","0.71073","MoKα","","0.0796","0.0615","","","0.1676","0.1861","","","","","","1.188","","","","has coordinates","185403","2020-10-21","18:00:00",""
"7039579","11.0311","0.0013","12.658","0.002","20.544","0.003","90","","96.626","0.013","90","","2849.4","0.7","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C25 H41 Cl2 Co N4 O2 -","- C25 H41 Cl2 Co N4 O2 -","- C100 H164 Cl8 Co4 N16 O8 -","4","1","","Deka, Hemanta; Ghosh, Somnath; Saha, Soumen; Gogoi, Kuldeep; Mondal, Biplab","Effect of ligand denticity on the nitric oxide reactivity of cobalt(ii) complexes.","Dalton transactions (Cambridge, England : 2003)","2016","45","27","10979","10988","10.1039/c6dt01169a","","","0.71073","MoKα","","0.2328","0.0918","","","0.1296","0.1759","","","","","","1.043","","","","has coordinates","185403","2020-10-21","18:00:00",""
"7039580","4.948","0.0004","17.236","0.002","12.6051","0.0008","90","","91.761","0.007","90","","1074.5","0.17","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H30 N4 O2 -","- C22 H30 N4 O2 -","- C44 H60 N8 O4 -","2","0.5","","Deka, Hemanta; Ghosh, Somnath; Saha, Soumen; Gogoi, Kuldeep; Mondal, Biplab","Effect of ligand denticity on the nitric oxide reactivity of cobalt(ii) complexes.","Dalton transactions (Cambridge, England : 2003)","2016","45","27","10979","10988","10.1039/c6dt01169a","","","0.71073","MoKα","","0.137","0.0774","","","0.1764","0.2035","","","","","","1.23","","","","has coordinates","185403","2020-10-21","18:00:00",""
"7039581","11.231","0.002","13.224","0.003","13.496","0.003","86.976","0.006","88.508","0.006","85.74","0.006","1995.6","0.7","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","","","- C36 H56 N8 O8 -","- C36 H56 N8 O8 -","- C72 H112 N16 O16 -","2","1","","Guchhait, Tapas; Mani, Ganesan; Schulzke, Carola","Synthesis and structural characterization of anion complexes with azacalix[2]dipyrrolylmethane: effect of anion charge on the conformation of the macrocycle.","Dalton transactions (Cambridge, England : 2003)","2016","45","29","11781","11790","10.1039/c6dt01396a","","","0.71073","MoKα","","0.3297","0.0872","","","0.1637","0.2528","","","","","","0.942","","","","has coordinates,has disorder","185474","2020-10-21","18:00:00",""
"7039582","11.3232","0.0009","12.4132","0.001","12.8292","0.001","90","","98.879","0.002","90","","1781.6","0.2","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C34 H48 B2 F8 N6 -","- C34 H48 B2 F8 N6 -","- C68 H96 B4 F16 N12 -","2","0.5","","Guchhait, Tapas; Mani, Ganesan; Schulzke, Carola","Synthesis and structural characterization of anion complexes with azacalix[2]dipyrrolylmethane: effect of anion charge on the conformation of the macrocycle.","Dalton transactions (Cambridge, England : 2003)","2016","45","29","11781","11790","10.1039/c6dt01396a","","","0.71073","MoKα","","0.1914","0.0762","","","0.1578","0.2011","","","","","","1.013","","","","has coordinates,has disorder","185474","2020-10-21","18:00:00",""
"7039583","11.4134","0.0014","11.7294","0.0014","14.5809","0.0017","101.215","0.004","109.626","0.004","96.15","0.004","1771.8","0.4","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C33 H52 Cl2 N6 O -","- C33 H52 Cl2 N6 O -","- C66 H104 Cl4 N12 O2 -","2","1","","Guchhait, Tapas; Mani, Ganesan; Schulzke, Carola","Synthesis and structural characterization of anion complexes with azacalix[2]dipyrrolylmethane: effect of anion charge on the conformation of the macrocycle.","Dalton transactions (Cambridge, England : 2003)","2016","45","29","11781","11790","10.1039/c6dt01396a","","","0.71073","MoKα","","0.1341","0.07","","","0.2015","0.2357","","","","","","0.887","","","","has coordinates","185474","2020-10-21","18:00:00",""
"7039584","12.8015","0.0008","13.1729","0.0008","14.8039","0.0008","72.028","0.003","87.892","0.003","70.142","0.003","2227","0.2","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","","","- C47 H62 N6 O5 -","- C47 H62 N6 O5 -","- C94 H124 N12 O10 -","2","1","","Guchhait, Tapas; Mani, Ganesan; Schulzke, Carola","Synthesis and structural characterization of anion complexes with azacalix[2]dipyrrolylmethane: effect of anion charge on the conformation of the macrocycle.","Dalton transactions (Cambridge, England : 2003)","2016","45","29","11781","11790","10.1039/c6dt01396a","","","0.71073","MoKα","","0.0665","0.0472","","","0.1155","0.131","","","","","","1.039","","","","has coordinates,has disorder","185474","2020-10-21","18:00:00",""
"7039585","10.826","0.005","10.886","0.005","15.397","0.007","86.377","0.013","81.065","0.014","81.984","0.012","1773.4","1.4","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C32 H48 Cl2 N6 O8 -","- C32 H48 Cl2 N6 O8 -","- C64 H96 Cl4 N12 O16 -","2","1","","Guchhait, Tapas; Mani, Ganesan; Schulzke, Carola","Synthesis and structural characterization of anion complexes with azacalix[2]dipyrrolylmethane: effect of anion charge on the conformation of the macrocycle.","Dalton transactions (Cambridge, England : 2003)","2016","45","29","11781","11790","10.1039/c6dt01396a","","","0.71073","MoKα","","0.0823","0.0476","","","0.1071","0.1262","","","","","","1.019","","","","has coordinates,has disorder","185474","2020-10-21","18:00:00",""
"7039586","17.1257","0.0009","16.2367","0.0009","11.2669","0.0006","90","","90","","90","","3132.9","0.3","110","2","110","2","","","","","","","","5","C m c 21","C 2c -2","36","","","","- C32 H46 Cr N6 O4 -","- C32 H46 Cr N6 O4 -","- C128 H184 Cr4 N24 O16 -","4","0.5","","Guchhait, Tapas; Mani, Ganesan; Schulzke, Carola","Synthesis and structural characterization of anion complexes with azacalix[2]dipyrrolylmethane: effect of anion charge on the conformation of the macrocycle.","Dalton transactions (Cambridge, England : 2003)","2016","45","29","11781","11790","10.1039/c6dt01396a","","","1.54178","CuKα","","0.053","0.0449","","","0.1091","0.1114","","","","","","1.013","","","","has coordinates,has disorder","185474","2020-10-21","18:00:00",""
"7039587","8.815","0.003","17.954","0.006","26.463","0.009","90","","96.493","0.011","90","","4161","2","110","2","110","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C32 H66 Cr2 N6 O16 -","- C32 H48 Cr2 N6 O7 -","- C128 H192 Cr8 N24 O28 -","4","1","","Guchhait, Tapas; Mani, Ganesan; Schulzke, Carola","Synthesis and structural characterization of anion complexes with azacalix[2]dipyrrolylmethane: effect of anion charge on the conformation of the macrocycle.","Dalton transactions (Cambridge, England : 2003)","2016","45","29","11781","11790","10.1039/c6dt01396a","","","1.54178","CuKα","","0.1435","0.076","","","0.1535","0.1791","","","","","","0.916","","","","has coordinates,has disorder","185474","2020-10-21","18:00:00",""
"7039588","12.93","0.02","10.616","0.016","27.7","0.04","90","","99.2","0.03","90","","3753","10","298","2","298","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C34 H56 F6 N6 O2 Si -","- C32 H48 F6 N6 Si -","- C128 H192 F24 N24 Si4 -","4","0.5","","Guchhait, Tapas; Mani, Ganesan; Schulzke, Carola","Synthesis and structural characterization of anion complexes with azacalix[2]dipyrrolylmethane: effect of anion charge on the conformation of the macrocycle.","Dalton transactions (Cambridge, England : 2003)","2016","45","29","11781","11790","10.1039/c6dt01396a","","","0.71073","MoKα","","0.1744","0.0689","","","0.1391","0.169","","","","","","0.877","","","","has coordinates,has disorder","185474","2020-10-21","18:00:00",""
"7039589","11.66","0.009","11.998","0.009","11.826","0.009","90","","92.19","0.02","90","","1653","2","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C32 H48 N6 O3 S2 -","- C32 H48 N6 O3 S2 -","- C64 H96 N12 O6 S4 -","2","1","","Guchhait, Tapas; Mani, Ganesan; Schulzke, Carola","Synthesis and structural characterization of anion complexes with azacalix[2]dipyrrolylmethane: effect of anion charge on the conformation of the macrocycle.","Dalton transactions (Cambridge, England : 2003)","2016","45","29","11781","11790","10.1039/c6dt01396a","","","1.54178","CuKα","","0.1264","0.0695","","","0.1437","0.1602","","","","","","0.834","","","","has coordinates,has disorder","185474","2020-10-21","18:00:00",""
"7039590","8.896","0.002","11.401","0.003","11.427","0.003","112.062","0.002","103.775","0.002","100.328","0.004","995.6","0.4","170","2","170","2","","","","","","","","6","P -1","-P 1","2","","","","- C12 H8 Cl2 Fe O4 S8 -","- C12 H8 Cl2 Fe O4 S8 -","- C24 H16 Cl4 Fe2 O8 S16 -","2","1","","Zhang, B.; Zhang, Y.; Wang, Z.; Yang, D.; Gao, Z.; Wang, D.; Guo, Y.; Zhu, D.; Mori, T.","[BEDT-TTF][Fe(C2O4)Cl2]: an organic-inorganic hybrid semiconductive antiferromagnet.","Dalton transactions (Cambridge, England : 2003)","2016","45","42","16561","16565","10.1039/c6dt01845a","","","0.71073","MoKα","","0.0386","0.0354","","","0.078","0.0796","","","","","","1.141","","","","has coordinates","188235","2020-10-21","18:00:00",""
"7039591","18.0537","0.0008","25.2459","0.0012","26.1016","0.0012","63.017","0.002","89.975","0.002","89.758","0.002","10601.5","0.9","100","2","100","2","","","","","","","","5","P -1","-P 1","2","jpd20140516","tris[(tri-tert-butoxy)siloxy]gallium, THF adduct","","- C40 H89 Ga O13 Si3 -","- C40 H89 Ga O13 Si3 -","- C320 H712 Ga8 O104 Si24 -","8","4","","Dombrowski, James P.; Johnson, Gregory R.; Bell, Alexis T.; Tilley, T. Don","Ga[OSi(O(t)Bu)3]3·THF, a thermolytic molecular precursor for high surface area gallium-containing silica materials of controlled dispersion and stoichiometry.","Dalton transactions (Cambridge, England : 2003)","2016","45","27","11025","11034","10.1039/c6dt01676f","","","0.71073","MoKα","","0.1577","0.1484","","","0.3505","0.3544","","","","","","1.2","","","","has coordinates","185399","2020-10-21","18:00:00",""
"7039592","11.8068","0.0006","14.7394","0.0007","22.52","0.001","90","","101.746","0.005","90","","3837","0.3","293","2","293","2","","","","","","","","6","P 1 2/n 1","-P 2yac","13","","","","- C81 H64 Ag Cl N2 O2 -","- C81 H64 Ag Cl N2 O2 -","- C162 H128 Ag2 Cl2 N4 O4 -","2","0.5","","Savka, Roman; Foro, Sabine; Plenio, Herbert","Pentiptycene-based concave NHC-metal complexes.","Dalton transactions (Cambridge, England : 2003)","2016","45","27","11015","11024","10.1039/c6dt01724j","","","0.71073","MoKα","","0.1074","0.072","","","0.2084","0.2379","","","","","","1.022","","","","has coordinates","185402","2020-10-21","18:00:00",""
"7039593","28.7623","0.0004","21.1882","0.0003","7.7865","0.0001","90","","90","","90","","4745.26","0.11","150","2","150","2","","","","","","","","9","P n m a","-P 2ac 2n","62","","","","- C13.5 H22.5 Cl1.5 F6 N O3 P Ru S4 -","- C13.5 H22.5 Cl1.5 F6 N O3 P Ru S4 -","- C108 H180 Cl12 F48 N8 O24 P8 Ru8 S32 -","8","1","","Kljun, Jakob; Anko, Maja; Traven, Katja; Sinreih, Maša; Pavlič, Renata; Peršič, Špela; Ude, Žiga; Codina, Elisa Esteve; Stojan, Jure; Lanišnik Rižner, Tea; Turel, Iztok","Pyrithione-based ruthenium complexes as inhibitors of aldo-keto reductase 1C enzymes and anticancer agents.","Dalton transactions (Cambridge, England : 2003)","2016","45","29","11791","11800","10.1039/c6dt00668j","","","0.71073","MoKα","","0.031","0.0238","","","0.0608","0.0662","","","","","","0.679","","","","has coordinates","210357","2020-10-21","18:00:00",""
"7039594","6.3748","0.0001","15.2882","0.0003","15.5899","0.0003","90","","91.866","0.002","90","","1518.57","0.05","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C15 H18 Cl N O2 Ru -","- C15 H18 Cl N O2 Ru -","- C60 H72 Cl4 N4 O8 Ru4 -","4","1","","Kljun, Jakob; Anko, Maja; Traven, Katja; Sinreih, Maša; Pavlič, Renata; Peršič, Špela; Ude, Žiga; Codina, Elisa Esteve; Stojan, Jure; Lanišnik Rižner, Tea; Turel, Iztok","Pyrithione-based ruthenium complexes as inhibitors of aldo-keto reductase 1C enzymes and anticancer agents.","Dalton transactions (Cambridge, England : 2003)","2016","45","29","11791","11800","10.1039/c6dt00668j","","","0.71073","MoKα","","0.0311","0.0244","","","0.0576","0.0616","","","","","","1.063","","","","has coordinates","185491","2020-10-21","18:00:00",""
"7039595","7.8145","0.0003","12.1293","0.0005","12.2989","0.0005","99.963","0.004","101.149","0.004","107.554","0.004","1056.61","0.08","150","2","150","2","","","","","","","","8","P -1","-P 1","2","","","","- C13 H22 F6 N O2 P Ru S5 -","- C13 H22 F6 N O2 P Ru S5 -","- C26 H44 F12 N2 O4 P2 Ru2 S10 -","2","1","","Kljun, Jakob; Anko, Maja; Traven, Katja; Sinreih, Maša; Pavlič, Renata; Peršič, Špela; Ude, Žiga; Codina, Elisa Esteve; Stojan, Jure; Lanišnik Rižner, Tea; Turel, Iztok","Pyrithione-based ruthenium complexes as inhibitors of aldo-keto reductase 1C enzymes and anticancer agents.","Dalton transactions (Cambridge, England : 2003)","2016","45","29","11791","11800","10.1039/c6dt00668j","","","0.71073","MoKα","","0.0395","0.028","","","0.0525","0.0581","","","","","","1.059","","","","has coordinates","185491","2020-10-21","18:00:00",""
"7039596","8.2322","0.0003","8.5818","0.0003","12.007","0.0004","73.95","0.003","73.345","0.003","89.785","0.003","778.37","0.05","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C15 H18 Cl N O Ru S -","- C15 H18 Cl N O Ru S -","- C30 H36 Cl2 N2 O2 Ru2 S2 -","2","1","","Kljun, Jakob; Anko, Maja; Traven, Katja; Sinreih, Maša; Pavlič, Renata; Peršič, Špela; Ude, Žiga; Codina, Elisa Esteve; Stojan, Jure; Lanišnik Rižner, Tea; Turel, Iztok","Pyrithione-based ruthenium complexes as inhibitors of aldo-keto reductase 1C enzymes and anticancer agents.","Dalton transactions (Cambridge, England : 2003)","2016","45","29","11791","11800","10.1039/c6dt00668j","","","0.71073","MoKα","","0.038","0.0304","","","0.0641","0.0676","","","","","","1.027","","","","has coordinates","185491","2020-10-21","18:00:00",""
"7039597","17.4058","0.0006","17.0196","0.0005","17.2625","0.0006","90","","94.973","0.003","90","","5094.6","0.3","100","2","100","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C21 H36 B Cl F2 N2 P2 Pt -","- C21 H36 B Cl F2 N2 P2 Pt -","- C168 H288 B8 Cl8 F16 N16 P16 Pt8 -","8","2","","Irmler, Peter; Winter, Rainer F.","Complexes trans-Pt(BODIPY)X(PEt3)2: excitation energy-dependent fluorescence and phosphorescence emissions, oxygen sensing and photocatalysis.","Dalton transactions (Cambridge, England : 2003)","2016","45","25","10420","10434","10.1039/c6dt01623e","","","0.71073","MoKα","","0.0615","0.0478","","","0.1104","0.1143","","","","","","1.156","","","","has coordinates","183828","2020-10-21","18:00:00",""
"7039598","9.3599","0.0004","18.0669","0.0007","16.136","0.0007","90","","104.104","0.003","90","","2646.41","0.19","100","2","100","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C22 H36 B F2 N3 P2 Pt S -","- C22 H36 B F2 N3 P2 Pt S -","- C88 H144 B4 F8 N12 P8 Pt4 S4 -","4","1","","Irmler, Peter; Winter, Rainer F.","Complexes trans-Pt(BODIPY)X(PEt3)2: excitation energy-dependent fluorescence and phosphorescence emissions, oxygen sensing and photocatalysis.","Dalton transactions (Cambridge, England : 2003)","2016","45","25","10420","10434","10.1039/c6dt01623e","","","0.71073","MoKα","","0.0346","0.0311","","","0.0757","0.0773","","","","","","1.04","","","","has coordinates","183828","2020-10-21","18:00:00",""
"7039599","13.4838","0.0007","14.5951","0.001","13.7759","0.0007","90","","90","","90","","2711.1","0.3","100","2","100","2","","","","","","","","8","C m c 21","C 2c -2","36","","","","- C21 H36 B F2 I N2 P2 Pt -","- C21 H36 B F2 I N2 P2 Pt -","- C84 H144 B4 F8 I4 N8 P8 Pt4 -","4","0.5","","Irmler, Peter; Winter, Rainer F.","Complexes trans-Pt(BODIPY)X(PEt3)2: excitation energy-dependent fluorescence and phosphorescence emissions, oxygen sensing and photocatalysis.","Dalton transactions (Cambridge, England : 2003)","2016","45","25","10420","10434","10.1039/c6dt01623e","","","0.71073","MoKα","","0.0282","0.0255","","","0.0632","0.064","","","","","","1.12","","","","has coordinates","183828","2020-10-21","18:00:00",""
"7039600","9.6174","0.0006","16.8233","0.0008","16.3882","0.001","90","","103.184","0.005","90","","2581.7","0.3","100","2","100","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C21 H36 B F2 N3 O2 P2 Pt -","- C21 H36 B F2 N3 O2 P2 Pt -","- C84 H144 B4 F8 N12 O8 P8 Pt4 -","4","1","","Irmler, Peter; Winter, Rainer F.","Complexes trans-Pt(BODIPY)X(PEt3)2: excitation energy-dependent fluorescence and phosphorescence emissions, oxygen sensing and photocatalysis.","Dalton transactions (Cambridge, England : 2003)","2016","45","25","10420","10434","10.1039/c6dt01623e","","","0.71073","MoKα","","0.0985","0.0544","","","0.056","0.062","","","","","","0.995","","","","has coordinates","183828","2020-10-21","18:00:00",""
"7039601","11.098","0.0004","13.1409","0.0006","18.4244","0.0006","90","","106.287","0.003","90","","2579.14","0.18","100","2","100","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C22 H39 B F2 N2 P2 Pt -","- C22 H39 B F2 N2 P2 Pt -","- C88 H156 B4 F8 N8 P8 Pt4 -","4","2","","Irmler, Peter; Winter, Rainer F.","Complexes trans-Pt(BODIPY)X(PEt3)2: excitation energy-dependent fluorescence and phosphorescence emissions, oxygen sensing and photocatalysis.","Dalton transactions (Cambridge, England : 2003)","2016","45","25","10420","10434","10.1039/c6dt01623e","","","0.71073","MoKα","","0.037","0.0344","","","0.0747","0.0756","","","","","","1.049","","","","has coordinates","183828","2020-10-21","18:00:00",""
"7039602","9.2083","0.0002","9.2083","0.0002","9.2083","0.0002","90","","90","","90","","780.8","0.03","298","2","298","2","","","","","","","","4","I m -3","-I 2 2 3","204","","","","- Ba1.98 Ni8 Sb12.24 Sn11.76 -","- Ba1.978 Ni8 Sb12.24 Sn11.76 -","- Ba1.978 Ni8 Sb12.24 Sn11.76 -","1","0.0208333","","Paschinger, W.; Rogl, G.; Grytsiv, A.; Michor, H.; Heinrich, P. R.; Müller, H; Puchegger, S.; Klobes, B.; Hermann, R. P.; Reinecker, M.; Eisenmenger-Sitter, Ch; Broz, P.; Bauer, E.; Giester, G.; Zehetbauer, M.; Rogl, P. F.","Ba-filled Ni-Sb-Sn based skutterudites with anomalously high lattice thermal conductivity.","Dalton transactions (Cambridge, England : 2003)","2016","45","27","11071","11100","10.1039/c6dt01298a","","","0.71069","MoKα","","0.0199","0.0192","","","0.0467","0.047","","","","","","1.18","","","","has coordinates","185390","2020-10-21","18:00:00",""
"7039603","9.1791","0.0002","9.1791","0.0002","9.1791","0.0002","90","","90","","90","","773.39","0.03","100","2","100","2","","","","","","","","4","I m -3","-I 2 2 3","204","","","","- Ba1.57 Ni8 Sb16.32 Sn7.68 -","- Ba1.566 Ni8 Sb16.32 Sn7.68 -","- Ba1.566 Ni8 Sb16.32 Sn7.68 -","1","0.0208333","","Paschinger, W.; Rogl, G.; Grytsiv, A.; Michor, H.; Heinrich, P. R.; Müller, H; Puchegger, S.; Klobes, B.; Hermann, R. P.; Reinecker, M.; Eisenmenger-Sitter, Ch; Broz, P.; Bauer, E.; Giester, G.; Zehetbauer, M.; Rogl, P. F.","Ba-filled Ni-Sb-Sn based skutterudites with anomalously high lattice thermal conductivity.","Dalton transactions (Cambridge, England : 2003)","2016","45","27","11071","11100","10.1039/c6dt01298a","","","0.71069","MoKα","","0.0196","0.0174","","","0.0322","0.0328","","","","","","1.181","","","","has coordinates","185390","2020-10-21","18:00:00",""
"7039604","9.1995","0.0002","9.1995","0.0002","9.1995","0.0002","90","","90","","90","","778.56","0.03","300","2","300","2","","","","","","","","4","I m -3","-I 2 2 3","204","","","","- Ba1.57 Ni8 Sb16.32 Sn7.68 -","- Ba1.556 Ni8 Sb16.32 Sn7.68 -","- Ba1.556 Ni8 Sb16.32 Sn7.68 -","1","0.0208333","","Paschinger, W.; Rogl, G.; Grytsiv, A.; Michor, H.; Heinrich, P. R.; Müller, H; Puchegger, S.; Klobes, B.; Hermann, R. P.; Reinecker, M.; Eisenmenger-Sitter, Ch; Broz, P.; Bauer, E.; Giester, G.; Zehetbauer, M.; Rogl, P. F.","Ba-filled Ni-Sb-Sn based skutterudites with anomalously high lattice thermal conductivity.","Dalton transactions (Cambridge, England : 2003)","2016","45","27","11071","11100","10.1039/c6dt01298a","","","0.71069","MoKα","","0.0223","0.0192","","","0.0475","0.0485","","","","","","1.134","","","","has coordinates","185390","2020-10-21","18:00:00",""
"7039605","9.1961","0.0002","9.1961","0.0002","9.1961","0.0002","90","","90","","90","","777.7","0.03","200","2","200","2","","","","","","","","4","I m -3","-I 2 2 3","204","","","","- Ba1.98 Ni8 Sb12.24 Sn11.76 -","- Ba1.978 Ni8 Sb12.24 Sn11.76 -","- Ba1.978 Ni8 Sb12.24 Sn11.76 -","1","0.0208333","","Paschinger, W.; Rogl, G.; Grytsiv, A.; Michor, H.; Heinrich, P. R.; Müller, H; Puchegger, S.; Klobes, B.; Hermann, R. P.; Reinecker, M.; Eisenmenger-Sitter, Ch; Broz, P.; Bauer, E.; Giester, G.; Zehetbauer, M.; Rogl, P. F.","Ba-filled Ni-Sb-Sn based skutterudites with anomalously high lattice thermal conductivity.","Dalton transactions (Cambridge, England : 2003)","2016","45","27","11071","11100","10.1039/c6dt01298a","","","0.71069","MoKα","","0.0176","0.017","","","0.0415","0.0416","","","","","","1.324","","","","has coordinates","185390","2020-10-21","18:00:00",""
"7039606","9.1854","0.0002","9.1854","0.0002","9.1854","0.0002","90","","90","","90","","774.99","0.03","100","2","100","2","","","","","","","","4","I m -3","-I 2 2 3","204","","","","- Ba1.98 Ni8 Sb12.24 Sn11.76 -","- Ba1.978 Ni8 Sb12.24 Sn11.76 -","- Ba1.978 Ni8 Sb12.24 Sn11.76 -","1","0.0208333","","Paschinger, W.; Rogl, G.; Grytsiv, A.; Michor, H.; Heinrich, P. R.; Müller, H; Puchegger, S.; Klobes, B.; Hermann, R. P.; Reinecker, M.; Eisenmenger-Sitter, Ch; Broz, P.; Bauer, E.; Giester, G.; Zehetbauer, M.; Rogl, P. F.","Ba-filled Ni-Sb-Sn based skutterudites with anomalously high lattice thermal conductivity.","Dalton transactions (Cambridge, England : 2003)","2016","45","27","11071","11100","10.1039/c6dt01298a","","","0.71069","MoKα","","0.0176","0.0172","","","0.0413","0.0414","","","","","","1.422","","","","has coordinates","185390","2020-10-21","18:00:00",""
"7039607","9.1887","0.0002","9.1887","0.0002","9.1887","0.0002","90","","90","","90","","775.82","0.03","200","2","200","2","","","","","","","","4","I m -3","-I 2 2 3","204","","","","- Ba1.57 Ni8 Sb16.32 Sn7.68 -","- Ba1.558 Ni8 Sb16.32 Sn7.68 -","- Ba1.558 Ni8 Sb16.32 Sn7.68 -","1","0.0208333","","Paschinger, W.; Rogl, G.; Grytsiv, A.; Michor, H.; Heinrich, P. R.; Müller, H; Puchegger, S.; Klobes, B.; Hermann, R. P.; Reinecker, M.; Eisenmenger-Sitter, Ch; Broz, P.; Bauer, E.; Giester, G.; Zehetbauer, M.; Rogl, P. F.","Ba-filled Ni-Sb-Sn based skutterudites with anomalously high lattice thermal conductivity.","Dalton transactions (Cambridge, England : 2003)","2016","45","27","11071","11100","10.1039/c6dt01298a","","","0.71069","MoKα","","0.0204","0.0186","","","0.037","0.0375","","","","","","1.178","","","","has coordinates","185390","2020-10-21","18:00:00",""
"7039608","11.4709","0.0007","26.2839","0.0016","18.8993","0.001","90","","113.96","0.003","90","","5207.1","0.5","173","2","173.15","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C73 H88 Cl2 Dy4 N50 Ni6 O31 -","- C66 H70 Cl2 Dy4 N48 Ni6 O28 -","- C132 H140 Cl4 Dy8 N96 Ni12 O56 -","2","0.5","","Dong, Hui-Ming; Li, Yan; Liu, Zhong-Yi; Yang, En-Cui; Zhao, Xiao-Jun","A novel oxime-derived 3d-4f single-molecule magnet exhibiting two single-ion magnetic relaxations.","Dalton transactions (Cambridge, England : 2003)","2016","45","29","11876","11882","10.1039/c6dt02003h","","","0.71073","MoKα","","0.0406","0.0328","","","0.0727","0.0758","","","","","","1.008","","","","has coordinates,has disorder","185473","2020-10-21","18:00:00",""
"7039609","9.5314","0.0019","14.518","0.003","15.621","0.003","89.65","0.03","82.6","0.03","74.32","0.03","2062.9","0.8","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C83 H108 N4 Pt -","- C83 H108 N4 Pt -","- C83 H108 N4 Pt -","1","0.5","","Weber, Katharina T.; Karikis, Kostas; Weber, Michael D.; Coto, Pedro B.; Charisiadis, Asterios; Charitaki, Despina; Charalambidis, Georgios; Angaridis, Panagiotis; Coutsolelos, Athanassios G.; Costa, Rubén D","Cunning metal core: efficiency/stability dilemma in metallated porphyrin based light-emitting electrochemical cells.","Dalton transactions (Cambridge, England : 2003)","2016","45","34","13284","13288","10.1039/c6dt02293f","","","0.71073","MoKα","","0.0863","0.0796","","","0.1865","0.1963","","","","","","1.384","","","","has coordinates,has disorder","186396","2020-10-21","18:00:00",""
"7039610","8.7479","0.0008","10.1421","0.0007","12.969","0.001","68.941","0.007","75.95","0.007","88.025","0.007","1039.89","0.16","100.1","0.3","100.1","0.3","","","","","","","","6","P -1","-P 1","2","[L1Cu(OClO3)]ClO4","[([(1-methyl-1H-imidazol-2-yl)methylidene] ({2-[(1-methyl-1H-imidazol-2-yl)methylidene]aminoethyl})amine) (perchlorato)copper(II)]perchlorate","","- C14 H19 Cl2 Cu N7 O8 -","- C14 H19 Cl2 Cu N7 O8 -","- C28 H38 Cl4 Cu2 N14 O16 -","2","1","","Zhang, Wuyu; Saraei, Nina; Nie, Hanlin; Vaughn, John R.; Jones, Alexis S.; Mashuta, Mark S.; Buchanan, Robert M.; Grapperhaus, Craig A.","Reversible methanol addition to copper Schiff base complexes: a kinetic, structural and spectroscopic study of reactions at azomethine C[double bond, length as m-dash]N bonds.","Dalton transactions (Cambridge, England : 2003)","2016","45","40","15791","15799","10.1039/c6dt01955b","","","0.71073","MoKα","","0.0382","0.035","","","0.0861","0.0892","","","","","","1.041","","","","has coordinates","188219","2020-10-21","18:00:00",""
"7039611","8.227","0.003","11.003","0.004","11.441","0.004","78.99","0.03","70.69","0.03","88.76","0.03","958.4","0.6","100.1","1","100.1","1","","","","","","","","6","P -1","-P 1","2","[L1Cu(OH2)]ClO4","[([(1-methyl-1H-imidazol-2-yl)methylidene] ({2-[(1-methyl-1H-imidazol-2-yl)methylidene]aminoethyl})amine) (perchlorato)copper(II)]perchlorate","","- C12 H18 Cl2 Cu N6 O9 -","- C12 H18 Cl2 Cu N6 O9 -","- C24 H36 Cl4 Cu2 N12 O18 -","2","1","","Zhang, Wuyu; Saraei, Nina; Nie, Hanlin; Vaughn, John R.; Jones, Alexis S.; Mashuta, Mark S.; Buchanan, Robert M.; Grapperhaus, Craig A.","Reversible methanol addition to copper Schiff base complexes: a kinetic, structural and spectroscopic study of reactions at azomethine C[double bond, length as m-dash]N bonds.","Dalton transactions (Cambridge, England : 2003)","2016","45","40","15791","15799","10.1039/c6dt01955b","","","0.71073","MoKα","","0.0541","0.0458","","","0.1194","0.1272","","","","","","1.064","","","","has coordinates","188219","2020-10-21","18:00:00",""
"7039612","13.0049","0.0003","11.5913","0.0002","15.1039","0.0004","90","","104.371","0.003","90","","2205.57","0.09","100.1","0.6","100.1","0.6","","","","","","","","6","P 1 n 1","P -2yac","7","[L2Cu(HOCH3)][ClO4]2","[([(1-methyl-1H-imidazol-2-yl)methylidene] ({2-[(1-methyl-1H-imidazol-2-yl)methylidene]aminoethyl})amine) (perchlorato)copper(II)]perchlorate","","- C14 H24 Cl2 Cu N6 O10 -","- C14 H24 Cl2 Cu N6 O10 -","- C56 H96 Cl8 Cu4 N24 O40 -","4","2","","Zhang, Wuyu; Saraei, Nina; Nie, Hanlin; Vaughn, John R.; Jones, Alexis S.; Mashuta, Mark S.; Buchanan, Robert M.; Grapperhaus, Craig A.","Reversible methanol addition to copper Schiff base complexes: a kinetic, structural and spectroscopic study of reactions at azomethine C[double bond, length as m-dash]N bonds.","Dalton transactions (Cambridge, England : 2003)","2016","45","40","15791","15799","10.1039/c6dt01955b","","","0.71073","MoKα","","0.0415","0.0396","","","0.0961","0.0979","","","","","","1.097","","","","has coordinates","188219","2020-10-21","18:00:00",""
"7039613","8.30645","0.00016","12.6697","0.0002","13.6657","0.0002","93.3069","0.0014","103.009","0.0016","107.103","0.0017","1327.4","0.04","100","0.6","100","0.6","","","","","","","","7","P -1","-P 1","2","[L2Cu(HOCH3)][O3SCF3]2","[([(1-methyl-1H-imidazol-2-yl)methylidene] ({2-[(1-methyl-1H-imidazol-2-yl)methylidene]aminoethyl})amine) (perchlorato)copper(II)]perchlorate","","- C16 H25.34 Cu F6 N6 O8.67 S2 -","- C16 H25.34 Cu F6 N6 O8.67 S2 -","- C32 H50.68 Cu2 F12 N12 O17.34 S4 -","2","1","","Zhang, Wuyu; Saraei, Nina; Nie, Hanlin; Vaughn, John R.; Jones, Alexis S.; Mashuta, Mark S.; Buchanan, Robert M.; Grapperhaus, Craig A.","Reversible methanol addition to copper Schiff base complexes: a kinetic, structural and spectroscopic study of reactions at azomethine C[double bond, length as m-dash]N bonds.","Dalton transactions (Cambridge, England : 2003)","2016","45","40","15791","15799","10.1039/c6dt01955b","","","0.71073","MoKα","","0.0506","0.0471","","","0.1047","0.1065","","","","","","1.047","","","","has coordinates","188219","2020-10-21","18:00:00",""
"7039614","7.83639","0.00013","11.5417","0.0003","12.5358","0.0003","88.324","0.0019","73.9097","0.0018","82.55","0.0016","1080.17","0.04","100.2","0.4","100.2","0.4","","","","","","","","7","P -1","-P 1","2","[L2Cu(HOCH3)][BF4]2","[([(1-methyl-1H-imidazol-2-yl)methylidene] ({2-[(1-methyl-1H-imidazol-2-yl)methylidene]aminoethyl})amine) (perchlorato)copper(II)]perchlorate","","- C14 H24 B2 Cu F8 N6 O2 -","- C14 H24 B2 Cu F8 N6 O2 -","- C28 H48 B4 Cu2 F16 N12 O4 -","2","1","","Zhang, Wuyu; Saraei, Nina; Nie, Hanlin; Vaughn, John R.; Jones, Alexis S.; Mashuta, Mark S.; Buchanan, Robert M.; Grapperhaus, Craig A.","Reversible methanol addition to copper Schiff base complexes: a kinetic, structural and spectroscopic study of reactions at azomethine C[double bond, length as m-dash]N bonds.","Dalton transactions (Cambridge, England : 2003)","2016","45","40","15791","15799","10.1039/c6dt01955b","","","0.71073","MoKα","","0.0645","0.0594","","","0.1257","0.1288","","","","","","1.048","","","","has coordinates","188219","2020-10-21","18:00:00",""
"7039615","9.37814","0.00017","12.212","0.0002","11.9164","0.0002","90","","95.9045","0.0016","90","","1357.5","0.04","99.95","0.1","99.95","0.1","","","","","","","","4","C 1 2/c 1","-C 2yc","15","L1","[([(1-methyl-1H-imidazol-2-yl)methylidene] ({2-[(1-methyl-1H-imidazol-2-yl)methylidene]aminoethyl})amine) (perchlorato)copper(II)]perchlorate","","- C12 H18 N6 O -","- C12 H18 N6 O -","- C48 H72 N24 O4 -","4","0.5","","Zhang, Wuyu; Saraei, Nina; Nie, Hanlin; Vaughn, John R.; Jones, Alexis S.; Mashuta, Mark S.; Buchanan, Robert M.; Grapperhaus, Craig A.","Reversible methanol addition to copper Schiff base complexes: a kinetic, structural and spectroscopic study of reactions at azomethine C[double bond, length as m-dash]N bonds.","Dalton transactions (Cambridge, England : 2003)","2016","45","40","15791","15799","10.1039/c6dt01955b","","","0.71073","MoKα","","0.0368","0.0341","","","0.0822","0.084","","","","","","1.038","","","","has coordinates","188219","2020-10-21","18:00:00",""
"7039616","17.7","0.01","7.391","0.004","19.676","0.012","90","","111.032","0.008","90","","2403","2","103","2","103","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C26 H27 Cl F N3 O3 Ti -","- C26 H27 Cl F N3 O3 Ti -","- C104 H108 Cl4 F4 N12 O12 Ti4 -","4","1","","Hessevik, Julie; Lalrempuia, Ralte; Nsiri, Hajar; Törnroos, Karl W; Jensen, Vidar R.; Le Roux, Erwan","Sterically (un)encumbered mer-tridentate N-heterocyclic carbene complexes of titanium(iv) for the copolymerization of cyclohexene oxide with CO2.","Dalton transactions (Cambridge, England : 2003)","2016","45","37","14734","14744","10.1039/c6dt01706a","","","0.71073","MoKα","","0.0879","0.0645","","","0.1593","0.1785","","","","","","1.06","","","","has coordinates,has disorder","187146","2020-10-21","18:00:00",""
"7039617","29.1","0.004","19.218","0.003","20.797","0.003","90","","130.641","0.002","90","","8825","2","103","2","103","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C46 H60 N4 O9 Ti2 -","- C46 H60 N4 O9 Ti2 -","- C368 H480 N32 O72 Ti16 -","8","1","","Hessevik, Julie; Lalrempuia, Ralte; Nsiri, Hajar; Törnroos, Karl W; Jensen, Vidar R.; Le Roux, Erwan","Sterically (un)encumbered mer-tridentate N-heterocyclic carbene complexes of titanium(iv) for the copolymerization of cyclohexene oxide with CO2.","Dalton transactions (Cambridge, England : 2003)","2016","45","37","14734","14744","10.1039/c6dt01706a","","","0.71073","MoKα","","0.059","0.0458","","","0.1176","0.1269","","","","","","1.057","","","","has coordinates,has disorder","187146","2020-10-21","18:00:00",""
"7039618","16.7643","0.0016","27.625","0.003","17.7509","0.0017","90","","112.623","0.001","90","","7588.2","1.3","103","2","103","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C81 H119 N4 O8 Ti2 -","- C81 H119 N4 O8 Ti2 -","- C324 H476 N16 O32 Ti8 -","4","1","","Hessevik, Julie; Lalrempuia, Ralte; Nsiri, Hajar; Törnroos, Karl W; Jensen, Vidar R.; Le Roux, Erwan","Sterically (un)encumbered mer-tridentate N-heterocyclic carbene complexes of titanium(iv) for the copolymerization of cyclohexene oxide with CO2.","Dalton transactions (Cambridge, England : 2003)","2016","45","37","14734","14744","10.1039/c6dt01706a","","","0.71073","MoKα","","0.0739","0.0587","","","0.1672","0.1785","","","","","","1.088","","","","has coordinates","187146","2020-10-21","18:00:00",""
"7039619","11.1419","0.0004","14.4501","0.0006","27.7442","0.0012","90","","90","","90","","4466.9","0.3","150","2","150","2","","","","","","","synthesis as described","6","P b c a","-P 2ac 2ab","61","","","","- C20 H34 Fe N2 O2 P2 -","- C20 H34 Fe N2 O2 P2 -","- C160 H272 Fe8 N16 O16 P16 -","8","1","","Jiang, Shi; Quintero-Duque, Samuel; Roisnel, Thierry; Dorcet, Vincent; Grellier, Mary; Sabo-Etienne, Sylviane; Darcel, Christophe; Sortais, Jean-Baptiste","Direct synthesis of dicarbonyl PCP-iron hydride complexes and catalytic dehydrogenative borylation of styrene.","Dalton transactions (Cambridge, England : 2003)","2016","45","27","11101","11108","10.1039/c6dt01149g","","x-ray","0.71073","MoKα","","0.0783","0.0523","","","0.1138","0.1282","","","","","","1.024","","","","has coordinates,has disorder","185406","2020-10-21","18:00:00",""
"7039620","9.602","0.0005","9.7605","0.0006","17.4387","0.0011","94.786","0.003","102.709","0.003","106.046","0.002","1513.96","0.16","150","2","150","2","","","","","","","synthesis as described","5","P -1","-P 1","2","","","","- C32 H24 Fe O4 P2 -","- C32 H24 Fe O4 P2 -","- C64 H48 Fe2 O8 P4 -","2","1","","Jiang, Shi; Quintero-Duque, Samuel; Roisnel, Thierry; Dorcet, Vincent; Grellier, Mary; Sabo-Etienne, Sylviane; Darcel, Christophe; Sortais, Jean-Baptiste","Direct synthesis of dicarbonyl PCP-iron hydride complexes and catalytic dehydrogenative borylation of styrene.","Dalton transactions (Cambridge, England : 2003)","2016","45","27","11101","11108","10.1039/c6dt01149g","","x-ray","0.71073","MoKα","","0.0505","0.0425","","","0.1137","0.1176","","","","","","1.05","","","","has coordinates","185406","2020-10-21","18:00:00",""
"7039621","10.7668","0.0003","14.0935","0.0004","14.9686","0.0005","82.898","0.002","87.596","0.002","90.002","0.002","2251.92","0.12","150","2","150","2","","","","","","","synthesis as described","5","P -1","-P 1","2","","","","- C20 H32 Fe O4 P2 -","- C20 H32 Fe O4 P2 -","- C80 H128 Fe4 O16 P8 -","4","2","","Jiang, Shi; Quintero-Duque, Samuel; Roisnel, Thierry; Dorcet, Vincent; Grellier, Mary; Sabo-Etienne, Sylviane; Darcel, Christophe; Sortais, Jean-Baptiste","Direct synthesis of dicarbonyl PCP-iron hydride complexes and catalytic dehydrogenative borylation of styrene.","Dalton transactions (Cambridge, England : 2003)","2016","45","27","11101","11108","10.1039/c6dt01149g","","x-ray","0.71073","MoKα","","0.0458","0.0357","","","0.0851","0.0945","","","","","","1.04","","","","has coordinates","192220","2020-10-21","18:00:00",""
"7039622","11.8597","0.0006","12.268","0.0006","14.269","0.0007","65.773","0.002","80.922","0.003","77.876","0.003","1845.01","0.16","150","2","150","2","","","","","","","synthesis as described","5","P -1","-P 1","2","","","","- C38 H24 Fe2 O10 P2 -","- C38 H24 Fe2 O10 P2 -","- C76 H48 Fe4 O20 P4 -","2","1","","Jiang, Shi; Quintero-Duque, Samuel; Roisnel, Thierry; Dorcet, Vincent; Grellier, Mary; Sabo-Etienne, Sylviane; Darcel, Christophe; Sortais, Jean-Baptiste","Direct synthesis of dicarbonyl PCP-iron hydride complexes and catalytic dehydrogenative borylation of styrene.","Dalton transactions (Cambridge, England : 2003)","2016","45","27","11101","11108","10.1039/c6dt01149g","","x-ray","0.71073","MoKα","","0.0633","0.0452","","","0.0965","0.105","","","","","","1.043","","","","has coordinates","185406","2020-10-21","18:00:00",""
"7039623","14.749","0.002","16.1056","0.0019","15.644","0.002","90","","113.242","0.004","90","","3414.5","0.8","150","2","150","2","","","","","","","synthesis as described","5","C 1 2/c 1","-C 2yc","15","","","","- C30 H40 Fe2 O10 P2 -","- C30 H40 Fe2 O10 P2 -","- C120 H160 Fe8 O40 P8 -","4","0.5","","Jiang, Shi; Quintero-Duque, Samuel; Roisnel, Thierry; Dorcet, Vincent; Grellier, Mary; Sabo-Etienne, Sylviane; Darcel, Christophe; Sortais, Jean-Baptiste","Direct synthesis of dicarbonyl PCP-iron hydride complexes and catalytic dehydrogenative borylation of styrene.","Dalton transactions (Cambridge, England : 2003)","2016","45","27","11101","11108","10.1039/c6dt01149g","","x-ray","0.71073","MoKα","","0.0922","0.0522","","","0.1306","0.148","","","","","","1.062","","","","has coordinates","185406","2020-10-21","18:00:00",""
"7039624","10.6486","0.0003","10.7354","0.0003","14.4471","0.0004","107.642","0.001","105.206","0.001","90.314","0.001","1512.27","0.07","150","2","150","2","","","","","","","synthesis as described","5","P -1","-P 1","2","","","","- C26 H32 Fe2 O10 P2 -","- C26 H32 Fe2 O10 P2 -","- C52 H64 Fe4 O20 P4 -","2","1","","Jiang, Shi; Quintero-Duque, Samuel; Roisnel, Thierry; Dorcet, Vincent; Grellier, Mary; Sabo-Etienne, Sylviane; Darcel, Christophe; Sortais, Jean-Baptiste","Direct synthesis of dicarbonyl PCP-iron hydride complexes and catalytic dehydrogenative borylation of styrene.","Dalton transactions (Cambridge, England : 2003)","2016","45","27","11101","11108","10.1039/c6dt01149g","","x-ray","0.71073","MoKα","","0.0427","0.032","","","0.0787","0.084","","","","","","1.031","","","","has coordinates","185406","2020-10-21","18:00:00",""
"7039625","14.5737","0.0008","10.2765","0.0006","16.2121","0.0009","90","","112.126","0.003","90","","2249.2","0.2","150","2","150","2","","","","","","","synthesis as described","6","P 1 n 1","P -2yac","7","","","","- C20 H33 Fe N O3 P2 -","- C20 H33 Fe N O3 P2 -","- C80 H132 Fe4 N4 O12 P8 -","4","2","","Jiang, Shi; Quintero-Duque, Samuel; Roisnel, Thierry; Dorcet, Vincent; Grellier, Mary; Sabo-Etienne, Sylviane; Darcel, Christophe; Sortais, Jean-Baptiste","Direct synthesis of dicarbonyl PCP-iron hydride complexes and catalytic dehydrogenative borylation of styrene.","Dalton transactions (Cambridge, England : 2003)","2016","45","27","11101","11108","10.1039/c6dt01149g","","x-ray","0.71073","MoKα","","0.0484","0.04","","","0.068","0.0711","","","","","","0.948","","","","has coordinates","185406","2020-10-21","18:00:00",""
"7039626","9.86","0.004","9.94","0.004","10.962","0.004","90","","111.93","0.02","90","","996.6","0.7","150","2","149.9","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C21 H39 B N2 -","- C21 H39 B N2 -","- C42 H78 B2 N4 -","2","1","","Lam, Jolie; Günther, Benjamin A R; Farrell, Jeffrey M.; Eisenberger, Patrick; Bestvater, Brian P.; Newman, Paul D.; Melen, Rebecca L.; Crudden, Cathleen M.; Stephan, Douglas W.","Chiral carbene-borane adducts: precursors for borenium catalysts for asymmetric FLP hydrogenations.","Dalton transactions (Cambridge, England : 2003)","2016","45","39","15303","","10.1039/c6dt02202b","","","0.71073","MoKα","","0.1347","0.0679","","","0.1399","0.1688","","","","","","0.9969","","","","has coordinates","278046","2022-09-21","15:45:41",""
"7039627","6.692","0.002","16.559","0.006","17.724","0.008","90","","90","","90","","1964","1.3","150","2","149.95","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C21 H35 B N2 O2 -","- C21 H35 B N2 O2 -","- C84 H140 B4 N8 O8 -","4","1","","Lam, Jolie; Günther, Benjamin A R; Farrell, Jeffrey M.; Eisenberger, Patrick; Bestvater, Brian P.; Newman, Paul D.; Melen, Rebecca L.; Crudden, Cathleen M.; Stephan, Douglas W.","Chiral carbene-borane adducts: precursors for borenium catalysts for asymmetric FLP hydrogenations.","Dalton transactions (Cambridge, England : 2003)","2016","45","39","15303","","10.1039/c6dt02202b","","","0.71073","MoKα","","0.0985","0.0554","","","0.0987","0.114","","","","","","0.9964","","","","has coordinates","278046","2022-09-21","15:45:41",""
"7039628","8.0304","0.0005","9.0974","0.0005","19.4205","0.0011","90","","90","","90","","1418.78","0.14","150","2","149.76","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C13 H23 B N2 O2 -","- C13 H23 B N2 O2 -","- C52 H92 B4 N8 O8 -","4","1","","Lam, Jolie; Günther, Benjamin A R; Farrell, Jeffrey M.; Eisenberger, Patrick; Bestvater, Brian P.; Newman, Paul D.; Melen, Rebecca L.; Crudden, Cathleen M.; Stephan, Douglas W.","Chiral carbene-borane adducts: precursors for borenium catalysts for asymmetric FLP hydrogenations.","Dalton transactions (Cambridge, England : 2003)","2016","45","39","15303","","10.1039/c6dt02202b","","","0.71073","MoKα","","0.0498","0.0378","","","0.0817","0.0875","","","","","","1.0359","","","","has coordinates","278046","2022-09-21","15:45:41",""
"7039629","9.4015","0.0003","9.5499","0.0003","12.9102","0.0004","91.586","0.002","109.357","0.003","93.844","0.003","1089.6","0.06","150","2","150.15","","","","","","","","","4","P 1","P 1","1","","","","- C23 H43 B N2 -","- C23 H43 B N2 -","- C46 H86 B2 N4 -","2","2","","Lam, Jolie; Günther, Benjamin A R; Farrell, Jeffrey M.; Eisenberger, Patrick; Bestvater, Brian P.; Newman, Paul D.; Melen, Rebecca L.; Crudden, Cathleen M.; Stephan, Douglas W.","Chiral carbene-borane adducts: precursors for borenium catalysts for asymmetric FLP hydrogenations.","Dalton transactions (Cambridge, England : 2003)","2016","45","39","15303","","10.1039/c6dt02202b","","","0.71073","MoKα","","0.058","0.048","","","0.1159","0.1254","","","","","","1.0711","","","","has coordinates","278046","2022-09-21","15:45:41",""
"7039630","12.4169","0.0013","12.4961","0.0014","15.9381","0.0017","103.359","0.005","99.814","0.005","111.62","0.005","2145.7","0.4","150","2","149.93","","","","","","","","","5","P 1","P 1","1","","","","- C45 H38 B2 F20 N2 -","- C45 H38 B2 F20 N2 -","- C90 H76 B4 F40 N4 -","2","2","","Lam, Jolie; Günther, Benjamin A R; Farrell, Jeffrey M.; Eisenberger, Patrick; Bestvater, Brian P.; Newman, Paul D.; Melen, Rebecca L.; Crudden, Cathleen M.; Stephan, Douglas W.","Chiral carbene-borane adducts: precursors for borenium catalysts for asymmetric FLP hydrogenations.","Dalton transactions (Cambridge, England : 2003)","2016","45","39","15303","","10.1039/c6dt02202b","","","0.71073","MoKα","","0.0585","0.0386","","","0.095","0.11","","","","","","1.0425","","","","has coordinates","278046","2022-09-21","15:45:41",""
"7039631","11.2135","0.0005","13.8015","0.0006","16.3539","0.0008","90","","90","","90","","2531","0.2","150","2","150.05","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C25 H42 B Cl N2 O2 -","- C25 H42 B Cl N2 O2 -","- C100 H168 B4 Cl4 N8 O8 -","4","1","","Lam, Jolie; Günther, Benjamin A R; Farrell, Jeffrey M.; Eisenberger, Patrick; Bestvater, Brian P.; Newman, Paul D.; Melen, Rebecca L.; Crudden, Cathleen M.; Stephan, Douglas W.","Chiral carbene-borane adducts: precursors for borenium catalysts for asymmetric FLP hydrogenations.","Dalton transactions (Cambridge, England : 2003)","2016","45","39","15303","","10.1039/c6dt02202b","","","0.71073","MoKα","","0.0505","0.0393","","","0.0904","0.0963","","","","","","1.0246","","","","has coordinates","278046","2022-09-21","15:45:41",""
"7039632","10.088","0.0004","10.1235","0.0005","21.6378","0.001","90","","90","","90","","2209.78","0.17","150","2","150.01","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C23 H39 B N2 O2 -","- C23 H39 B N2 O2 -","- C92 H156 B4 N8 O8 -","4","1","","Lam, Jolie; Günther, Benjamin A R; Farrell, Jeffrey M.; Eisenberger, Patrick; Bestvater, Brian P.; Newman, Paul D.; Melen, Rebecca L.; Crudden, Cathleen M.; Stephan, Douglas W.","Chiral carbene-borane adducts: precursors for borenium catalysts for asymmetric FLP hydrogenations.","Dalton transactions (Cambridge, England : 2003)","2016","45","39","15303","","10.1039/c6dt02202b","","","0.71073","MoKα","","0.0388","0.0329","","","0.081","0.0861","","","","","","1.0868","","","","has coordinates","278046","2022-09-21","15:45:41",""
"7039633","11.8584","0.001","11.9181","0.001","16.5677","0.0014","90","","90","","90","","2341.5","0.3","150","","150.02","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C23 H21 B F10 N2 -","- C23 H21 B F10 N2 -","- C92 H84 B4 F40 N8 -","4","1","","Lam, Jolie; Günther, Benjamin A R; Farrell, Jeffrey M.; Eisenberger, Patrick; Bestvater, Brian P.; Newman, Paul D.; Melen, Rebecca L.; Crudden, Cathleen M.; Stephan, Douglas W.","Chiral carbene-borane adducts: precursors for borenium catalysts for asymmetric FLP hydrogenations.","Dalton transactions (Cambridge, England : 2003)","2016","45","39","15303","","10.1039/c6dt02202b","","","0.71073","MoKα","","0.0317","0.0284","","","0.0756","0.0781","","","","","","1.0421","","","","has coordinates","278046","2022-09-21","15:45:41",""
"7039634","8.9025","0.0013","10.7384","0.001","15.224","0.004","87.238","0.016","89.8","0.02","70.189","0.011","1367.5","0.4","200","2","200","2","","","","","","","synthesis as described","7","P -1","-P 1","2","","","","- C19 H33 I2 N3 O3 Pd Si -","- C19 H33 I2 N3 O3 Pd Si -","- C38 H66 I4 N6 O6 Pd2 Si2 -","2","1","","Martínez-Olid, Francisco; Andrés, Román; de Jesús, Ernesto; Flores, Juan C.; Gómez-Sal, Pilar; Heuzé, Karine; Vellutini, Luc","Magnetically recoverable catalysts based on mono- or bis-(NHC) complexes of palladium for the Suzuki-Miyaura reaction in aqueous media: two NHC-Pd linkages are better than one.","Dalton transactions (Cambridge, England : 2003)","2016","45","29","11633","11638","10.1039/c6dt01330a","","x-ray","0.71069","MoKα","","0.0902","0.0376","","","0.0802","0.0956","","","","","","0.944","","","","has coordinates","185477","2020-10-21","18:00:00",""
"7039635","16.976","0.003","17.78","0.003","20.404","0.004","90","","90","","90","","6158.6","1.9","123","2","123","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C61 H88 K2 O7 Zr -","- C61 H88 K2 O7 Zr -","- C244 H352 K8 O28 Zr4 -","4","1","","Nakanishi, Yusuke; Ishida, Yutaka; Kawaguchi, Hiroyuki","Synthesis and reactions of a zirconium naphthalene complex bearing a tetraanionic C-capped triaryloxide ligand.","Dalton transactions (Cambridge, England : 2003)","2016","45","40","15879","15885","10.1039/c6dt01848c","","","0.71075","MoKα","","0.0623","0.0531","","","0.1166","0.1228","","","","","","1.117","","","","has coordinates,has disorder","188204","2020-10-21","18:00:00",""
"7039636","18.5178","0.0009","17.2279","0.0007","22.3406","0.001","90","","92.825","0.003","90","","7118.5","0.6","123","2","123","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C66 H114 K N O6 Si2 Zr -","- C61 H102 K N O6 Si2 Zr -","- C244 H408 K4 N4 O24 Si8 Zr4 -","4","1","","Nakanishi, Yusuke; Ishida, Yutaka; Kawaguchi, Hiroyuki","Synthesis and reactions of a zirconium naphthalene complex bearing a tetraanionic C-capped triaryloxide ligand.","Dalton transactions (Cambridge, England : 2003)","2016","45","40","15879","15885","10.1039/c6dt01848c","","","0.71075","MoKα","","0.0951","0.0748","","","0.2271","0.2727","","","","","","1.01","","","","has coordinates,has disorder","188204","2020-10-21","18:00:00",""
"7039637","47.946","0.013","14.776","0.004","20.07","0.005","90","","96.033","0.003","90","","14140","6","123","2","123","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C72 H108 K N O6 Si Zr -","- C72 H108 K N O6 Si Zr -","- C576 H864 K8 N8 O48 Si8 Zr8 -","8","1","","Nakanishi, Yusuke; Ishida, Yutaka; Kawaguchi, Hiroyuki","Synthesis and reactions of a zirconium naphthalene complex bearing a tetraanionic C-capped triaryloxide ligand.","Dalton transactions (Cambridge, England : 2003)","2016","45","40","15879","15885","10.1039/c6dt01848c","","","0.71075","MoKα","","0.1253","0.0728","","","0.1759","0.2371","","","","","","1.041","","","","has coordinates,has disorder","188204","2020-10-21","18:00:00",""
"7039638","22.405","0.004","17.33","0.003","35.658","0.007","90","","95.581","0.002","90","","13780","4","123","2","123","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C69.5 H100 K2 O5.5 Zr -","- C65 H90 K2 O5 Zr -","- C520 H720 K16 O40 Zr8 -","8","2","","Nakanishi, Yusuke; Ishida, Yutaka; Kawaguchi, Hiroyuki","Synthesis and reactions of a zirconium naphthalene complex bearing a tetraanionic C-capped triaryloxide ligand.","Dalton transactions (Cambridge, England : 2003)","2016","45","40","15879","15885","10.1039/c6dt01848c","","","0.71075","MoKα","","0.1058","0.0893","","","0.2401","0.2563","","","","","","0.95","","","","has coordinates,has disorder","188204","2020-10-21","18:00:00",""
"7039639","11.0488","0.0009","11.3558","0.0008","21.8846","0.0015","72.64","0.005","82.078","0.007","79.764","0.006","2568.5","0.3","93","","93","","","","","","","","","8","P -1","-P 1","2","[Fe2MoSO3] cluster 1","[Fe2MoSO3] cluster 1","","- C49 H42 Cl6 Fe2 Mo O P2 S3 -","- C49 H42 Cl6 Fe2 Mo O P2 S3 -","- C98 H84 Cl12 Fe4 Mo2 O2 P4 S6 -","2","1","","Yoshimoto, Koji; Yatabe, Takeshi; Matsumoto, Takahiro; Tran, Viet-Ha; Robertson, Andrew; Nakai, Hidetaka; Asazawa, Koichiro; Tanaka, Hirohisa; Ogo, Seiji","Inorganic clusters with a [Fe2MoOS3] core-a functional model for acetylene reduction by nitrogenases.","Dalton transactions (Cambridge, England : 2003)","2016","45","37","14620","14627","10.1039/c6dt01655c","","","0.71075","MoKα","","0.0735","0.0642","","","0.1929","0.2006","","","","","","1.033","","","","has coordinates","187135","2020-10-21","18:00:00",""
"7039640","11.481","0.005","15.958","0.005","15.833","0.005","90","0.005","100.343","0.005","90","0.005","2853.7","1.8","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","Complex 6","Complex 6","","- C31 H28 B N6 Ni O -","- C31 H28 B N6 Ni O -","- C124 H112 B4 N24 Ni4 O4 -","4","1","","Abubekerov, Mark; Eymann, Léonard Y M; Gianetti, Thomas L.; Arnold, John","Activation of heteroallenes by coordinatively unsaturated nickel(ii) alkyl complexes supported by the hydrotris(3-phenyl-5-methyl)pyrazolyl borate (Tp(Ph,Me)) ligand.","Dalton transactions (Cambridge, England : 2003)","2016","45","37","14581","14590","10.1039/c6dt01585a","","","0.71073","MoKα","","0.0889","0.0484","","","0.0951","0.1097","","","","","","1.018","","","","has coordinates","187144","2020-10-21","18:00:00",""
"7039641","12.5248","0.0008","15.0744","0.0009","18.1859","0.001","90","","95.122","0.003","90","","3419.9","0.4","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","Complex 8a","Complex 8a","","- C39 H35 B N6 Ni O2 -","- C39 H35 B N6 Ni O2 -","- C156 H140 B4 N24 Ni4 O8 -","4","1","","Abubekerov, Mark; Eymann, Léonard Y M; Gianetti, Thomas L.; Arnold, John","Activation of heteroallenes by coordinatively unsaturated nickel(ii) alkyl complexes supported by the hydrotris(3-phenyl-5-methyl)pyrazolyl borate (Tp(Ph,Me)) ligand.","Dalton transactions (Cambridge, England : 2003)","2016","45","37","14581","14590","10.1039/c6dt01585a","","","0.71073","MoKα","","0.0301","0.0268","","","0.0695","0.0722","","","","","","0.814","","","","has coordinates","187144","2020-10-21","18:00:00",""
"7039642","11.1566","0.0006","12.4011","0.0007","25.4222","0.0012","90","","100.042","0.004","90","","3463.4","0.3","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","Complex 8b","Complex 8b","","- C36 H39 B N6 Ni O2 Si -","- C36 H39 B N6 Ni O2 Si -","- C144 H156 B4 N24 Ni4 O8 Si4 -","4","1","","Abubekerov, Mark; Eymann, Léonard Y M; Gianetti, Thomas L.; Arnold, John","Activation of heteroallenes by coordinatively unsaturated nickel(ii) alkyl complexes supported by the hydrotris(3-phenyl-5-methyl)pyrazolyl borate (Tp(Ph,Me)) ligand.","Dalton transactions (Cambridge, England : 2003)","2016","45","37","14581","14590","10.1039/c6dt01585a","","","0.71073","MoKα","","0.0672","0.0452","","","0.1103","0.1229","","","","","","0.879","","","","has coordinates","187144","2020-10-21","18:00:00",""
"7039643","10.501","0.002","10.927","0.003","16.316","0.002","85.952","0.003","89.58","0.003","62.404","0.003","1654.4","0.6","100","2","100","2","","","","","","","","6","P -1","-P 1","2","Complex 2a","Complex 2a","","- C38 H35 B N6 Ni S2 -","- C38 H35 B N6 Ni S2 -","- C76 H70 B2 N12 Ni2 S4 -","2","1","","Abubekerov, Mark; Eymann, Léonard Y M; Gianetti, Thomas L.; Arnold, John","Activation of heteroallenes by coordinatively unsaturated nickel(ii) alkyl complexes supported by the hydrotris(3-phenyl-5-methyl)pyrazolyl borate (Tp(Ph,Me)) ligand.","Dalton transactions (Cambridge, England : 2003)","2016","45","37","14581","14590","10.1039/c6dt01585a","","","0.71073","MoKα","","0.0295","0.0265","","","0.0656","0.0681","","","","","","1.044","","","","has coordinates","187144","2020-10-21","18:00:00",""
"7039644","11.2799","0.0017","11.6561","0.0017","14.715","0.002","101.527","0.008","96.979","0.009","93.515","0.009","1874.4","0.5","100","2","100","2","","","","","","","","7","P -1","-P 1","2","Complex 7b","Complex 7b","","- C39 H47 B N6 Ni O2 Si -","- C39 H47 B N6 Ni O2 Si -","- C78 H94 B2 N12 Ni2 O4 Si2 -","2","1","","Abubekerov, Mark; Eymann, Léonard Y M; Gianetti, Thomas L.; Arnold, John","Activation of heteroallenes by coordinatively unsaturated nickel(ii) alkyl complexes supported by the hydrotris(3-phenyl-5-methyl)pyrazolyl borate (Tp(Ph,Me)) ligand.","Dalton transactions (Cambridge, England : 2003)","2016","45","37","14581","14590","10.1039/c6dt01585a","","","0.71073","MoKα","","0.0604","0.0471","","","0.1147","0.1228","","","","","","1.037","","","","has coordinates","187144","2020-10-21","18:00:00",""
"7039645","12.961","0.0018","20.401","0.003","16.044","0.002","90","","92.244","0.002","90","","4239.1","1","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","Complex 4","Complex 4","","- C46 H46 B N7 Ni S2 -","- C46 H46 B N7 Ni S2 -","- C184 H184 B4 N28 Ni4 S8 -","4","1","","Abubekerov, Mark; Eymann, Léonard Y M; Gianetti, Thomas L.; Arnold, John","Activation of heteroallenes by coordinatively unsaturated nickel(ii) alkyl complexes supported by the hydrotris(3-phenyl-5-methyl)pyrazolyl borate (Tp(Ph,Me)) ligand.","Dalton transactions (Cambridge, England : 2003)","2016","45","37","14581","14590","10.1039/c6dt01585a","","","0.71073","MoKα","","0.0593","0.0408","","","0.0978","0.109","","","","","","1.034","","","","has coordinates","187144","2020-10-21","18:00:00",""
"7039646","16.2356","0.0014","10.7693","0.001","24.309","0.002","90","","91.729","0.004","90","","4248.4","0.6","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","Complex 5a","Complex 5a","","- C46 H54 B N7 Ni O -","- C46 H54 B N7 Ni O -","- C184 H216 B4 N28 Ni4 O4 -","4","1","","Abubekerov, Mark; Eymann, Léonard Y M; Gianetti, Thomas L.; Arnold, John","Activation of heteroallenes by coordinatively unsaturated nickel(ii) alkyl complexes supported by the hydrotris(3-phenyl-5-methyl)pyrazolyl borate (Tp(Ph,Me)) ligand.","Dalton transactions (Cambridge, England : 2003)","2016","45","37","14581","14590","10.1039/c6dt01585a","","","0.71073","MoKα","","0.0367","0.0308","","","0.0727","0.0759","","","","","","1.038","","","","has coordinates","187144","2020-10-21","18:00:00",""
"7039647","11.0031","0.001","22.283","0.002","28.239","0.003","90","","90","","90","","6923.7","1.2","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","Complex 3","Complex 3","","- C39 H38 B N7 Ni -","- C39 H38 B N7 Ni -","- C312 H304 B8 N56 Ni8 -","8","1","","Abubekerov, Mark; Eymann, Léonard Y M; Gianetti, Thomas L.; Arnold, John","Activation of heteroallenes by coordinatively unsaturated nickel(ii) alkyl complexes supported by the hydrotris(3-phenyl-5-methyl)pyrazolyl borate (Tp(Ph,Me)) ligand.","Dalton transactions (Cambridge, England : 2003)","2016","45","37","14581","14590","10.1039/c6dt01585a","","","0.71073","MoKα","","0.0331","0.028","","","0.0778","0.0835","","","","","","0.824","","","","has coordinates","187144","2020-10-21","18:00:00",""
"7039648","13.93","0.003","11.256","0.003","26.727","0.003","90","","96.631","0.019","90","","4162.7","1.5","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Conplex 5b","","- C42.84 H56.96 B N7 Ni Si -","- C39 H48 B N7 Ni Si -","- C156 H192 B4 N28 Ni4 Si4 -","4","1","","Abubekerov, Mark; Eymann, Léonard Y M; Gianetti, Thomas L.; Arnold, John","Activation of heteroallenes by coordinatively unsaturated nickel(ii) alkyl complexes supported by the hydrotris(3-phenyl-5-methyl)pyrazolyl borate (Tp(Ph,Me)) ligand.","Dalton transactions (Cambridge, England : 2003)","2016","45","37","14581","14590","10.1039/c6dt01585a","","","0.71073","MoKα","","0.0426","0.0316","","","0.0728","0.0759","","","","","","1.055","","","","has coordinates","187144","2020-10-21","18:00:00",""
"7039649","10.534","0.009","15.566","0.007","17.689","0.009","112.175","0.004","101.588","0.004","98.702","0.004","2547","3","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","Complex 2b","","- C40.97 H56.91 B N6 Ni O S2 Si2.99 -","- C38.714 H50.142 B N6 Ni O0.619 S2 Si2.672 -","- C77.428 H100.284 B2 N12 Ni2 O1.238 S4 Si5.344 -","2","1","","Abubekerov, Mark; Eymann, Léonard Y M; Gianetti, Thomas L.; Arnold, John","Activation of heteroallenes by coordinatively unsaturated nickel(ii) alkyl complexes supported by the hydrotris(3-phenyl-5-methyl)pyrazolyl borate (Tp(Ph,Me)) ligand.","Dalton transactions (Cambridge, England : 2003)","2016","45","37","14581","14590","10.1039/c6dt01585a","","","0.71073","MoKα","","0.1084","0.066","","","0.1804","0.1978","","","","","","1.061","","","","has coordinates,has disorder","187144","2020-10-21","18:00:00",""
"7039650","29.6082","0.0004","14.9144","0.0002","18.6317","0.0003","90","","91.9814","0.0013","90","","8222.6","0.2","123","2","123","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C60 H88 Cl13 Fe3 N8 Se4 -","- C60 H88 Cl13 Fe3 N8 Se4 -","- C240 H352 Cl52 Fe12 N32 Se16 -","4","1","","Yadav, Sangeeta; Manjare, Sudesh T.; Singh, Harkesh B.; Butcher, Ray J.","Transition metal mediated formation of dicationic diselenides stabilised by N-heterocyclic carbenes: designed synthesis.","Dalton transactions (Cambridge, England : 2003)","2016","45","30","12015","12027","10.1039/c6dt01425a","","","0.71073","MoKα","","0.1124","0.0542","","","0.0878","0.1052","","","","","","1.045","","","","has coordinates,has disorder","185329","2020-10-21","18:00:00",""
"7039651","12.29","0.0005","9.485","0.0004","28.4945","0.0011","90","","93.909","0.004","90","","3313.9","0.2","123","2","123","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C26 H36 Cl5 Fe N4 Se2 -","- C26 H36 Cl5 Fe N4 Se2 -","- C104 H144 Cl20 Fe4 N16 Se8 -","4","1","","Yadav, Sangeeta; Manjare, Sudesh T.; Singh, Harkesh B.; Butcher, Ray J.","Transition metal mediated formation of dicationic diselenides stabilised by N-heterocyclic carbenes: designed synthesis.","Dalton transactions (Cambridge, England : 2003)","2016","45","30","12015","12027","10.1039/c6dt01425a","","","1.54184","CuKα","","0.0573","0.0486","","","0.1309","0.1365","","","","","","1.044","","","","has coordinates","185329","2020-10-21","18:00:00",""
"7039652","12.5421","0.0002","9.47186","0.00016","29.2362","0.0005","90","","92.3693","0.0016","90","","3470.2","0.1","123","2","123","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C26 H36 Br5 Fe N4 Se2 -","- C26 H36 Br5 Fe N4 Se2 -","- C104 H144 Br20 Fe4 N16 Se8 -","4","1","","Yadav, Sangeeta; Manjare, Sudesh T.; Singh, Harkesh B.; Butcher, Ray J.","Transition metal mediated formation of dicationic diselenides stabilised by N-heterocyclic carbenes: designed synthesis.","Dalton transactions (Cambridge, England : 2003)","2016","45","30","12015","12027","10.1039/c6dt01425a","","","1.54184","CuKα","","0.0302","0.0265","","","0.0662","0.0685","","","","","","1.033","","","","has coordinates","185329","2020-10-21","18:00:00",""
"7039653","11.34944","0.00012","23.0586","0.0002","14.21642","0.00017","90","","94.706","0.001","90","","3707.93","0.07","123","2","123","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C30 H44 Br4 N4 Se2 Zn -","- C30 H44 Br4 N4 Se2 Zn -","- C120 H176 Br16 N16 Se8 Zn4 -","4","1","","Yadav, Sangeeta; Manjare, Sudesh T.; Singh, Harkesh B.; Butcher, Ray J.","Transition metal mediated formation of dicationic diselenides stabilised by N-heterocyclic carbenes: designed synthesis.","Dalton transactions (Cambridge, England : 2003)","2016","45","30","12015","12027","10.1039/c6dt01425a","","","1.54184","CuKα","","0.0409","0.0359","","","0.0919","0.0958","","","","","","1.052","","","","has coordinates,has disorder","185329","2020-10-21","18:00:00",""
"7039654","25.1574","0.0013","8.3563","0.0002","22.6077","0.0012","90","","123.385","0.007","90","","3968.4","0.4","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C30 H48 Cl6 N4 O2 Se2 Zn2 -","- C30 H48 Cl6 N4 O2 Se2 Zn2 -","- C120 H192 Cl24 N16 O8 Se8 Zn8 -","4","0.5","","Yadav, Sangeeta; Manjare, Sudesh T.; Singh, Harkesh B.; Butcher, Ray J.","Transition metal mediated formation of dicationic diselenides stabilised by N-heterocyclic carbenes: designed synthesis.","Dalton transactions (Cambridge, England : 2003)","2016","45","30","12015","12027","10.1039/c6dt01425a","","","0.71073","MoKα","","0.0317","0.0279","","","0.0688","0.0713","","","","","","1.024","","","","has coordinates","185329","2020-10-21","18:00:00",""
"7039655","10.206","0.003","10.945","0.003","18.071","0.005","79.251","0.001","85.344","0.012","77.571","0.01","1934.9","0.9","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C30 H44 Cl6 Hg2 N4 Se2 -","- C30 H44 Cl6 Hg2 N4 Se2 -","- C60 H88 Cl12 Hg4 N8 Se4 -","2","1","","Yadav, Sangeeta; Manjare, Sudesh T.; Singh, Harkesh B.; Butcher, Ray J.","Transition metal mediated formation of dicationic diselenides stabilised by N-heterocyclic carbenes: designed synthesis.","Dalton transactions (Cambridge, England : 2003)","2016","45","30","12015","12027","10.1039/c6dt01425a","","","0.71073","MoKα","","0.0797","0.071","","","0.1709","0.1811","","","","","","1.045","","","","has coordinates","211196","2020-10-21","18:00:00",""
"7039656","16.9852","0.0007","17.3596","0.0008","17.1867","0.0008","90","","107.345","0.003","90","","4837.2","0.4","120","","120","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C32 H33 Cl3 Cu2 N12 O17 -","- C32 H31 Cl3 Cu2 N12 O17 -","- C128 H124 Cl12 Cu8 N48 O68 -","4","1","","Golla, Upendarrao; Adhikary, Amit; Mondal, Amit Kumar; Tomar, Raghuvir Singh; Konar, Sanjit","Synthesis, structure, magnetic and biological activity studies of bis-hydrazone derived Cu(ii) and Co(ii) coordination compounds.","Dalton transactions (Cambridge, England : 2003)","2016","45","29","11849","11863","10.1039/c6dt01496h","","","0.71073","MoKα","","0.0644","0.0508","","","0.1366","0.1451","","","","","","0.994","","","","has coordinates","185492","2020-10-21","18:00:00",""
"7039657","11.627","0.014","8.412","0.01","16.461","0.018","90","","94.4","0.03","90","","1605","3","120","","120","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C11 H15 Cl Cu N2 O8 -","- C11 H15 Cl Cu N2 O8 -","- C44 H60 Cl4 Cu4 N8 O32 -","4","1","","Golla, Upendarrao; Adhikary, Amit; Mondal, Amit Kumar; Tomar, Raghuvir Singh; Konar, Sanjit","Synthesis, structure, magnetic and biological activity studies of bis-hydrazone derived Cu(ii) and Co(ii) coordination compounds.","Dalton transactions (Cambridge, England : 2003)","2016","45","29","11849","11863","10.1039/c6dt01496h","","","0.71073","MoKα","","0.1129","0.0838","","","0.2443","0.2629","","","","","","1.09","","","","has coordinates","185492","2020-10-21","18:00:00",""
"7039658","17.1541","0.0008","17.1252","0.0008","17.2051","0.0009","90","","105.721","0.004","90","","4865.2","0.4","120","","120","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C32 H32 Cl4 Co2 N12 O20 -","- C32 H28 Cl4 Co2 N12 O20 -","- C128 H112 Cl16 Co8 N48 O80 -","4","0.5","","Golla, Upendarrao; Adhikary, Amit; Mondal, Amit Kumar; Tomar, Raghuvir Singh; Konar, Sanjit","Synthesis, structure, magnetic and biological activity studies of bis-hydrazone derived Cu(ii) and Co(ii) coordination compounds.","Dalton transactions (Cambridge, England : 2003)","2016","45","29","11849","11863","10.1039/c6dt01496h","","","0.71073","MoKα","","0.0506","0.0501","","","0.1486","0.149","","","","","","1.044","","","","has coordinates","185492","2020-10-21","18:00:00",""
"7039659","14.76","0.003","15.131","0.003","21.537","0.004","90","","100.726","0.006","90","","4725.9","1.6","120","","120","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C36 H36 Co2 N8 O10 -","- C36 H32 Co2 N8 O10 -","- C144 H128 Co8 N32 O40 -","4","1","","Golla, Upendarrao; Adhikary, Amit; Mondal, Amit Kumar; Tomar, Raghuvir Singh; Konar, Sanjit","Synthesis, structure, magnetic and biological activity studies of bis-hydrazone derived Cu(ii) and Co(ii) coordination compounds.","Dalton transactions (Cambridge, England : 2003)","2016","45","29","11849","11863","10.1039/c6dt01496h","","","0.71073","MoKα","","0.1208","0.1026","","","0.2909","0.3031","","","","","","1.01","","","","has coordinates","185492","2020-10-21","18:00:00",""
"7039660","18.4995","0.0003","13.4598","0.0001","20.4476","0.0003","90","","113.588","0.002","90","","4666.04","0.13","120","2","120","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C38 H50 Cu2 Mo N16 O9 -","- C38 H50 Cu2 Mo N16 O9 -","- C152 H200 Cu8 Mo4 N64 O36 -","4","1","","Korzeniak, Tomasz; Pinkowicz, Dawid; Nitek, Wojciech; Dańko, Tomasz; Pełka, Robert; Sieklucka, Barbara","Photoswitchable CuMo(IV) and CuMo(IV) cyanido-bridged molecules.","Dalton transactions (Cambridge, England : 2003)","2016","45","42","16585","16595","10.1039/c6dt01957a","","x-ray","0.71073","MoKα","","0.0405","0.0308","","","0.0766","0.0827","","","","","","1.064","","","","has coordinates","288182","2023-12-08","13:20:10",""
"7039661","17.002","0.0003","17.002","0.0003","16.694","0.0003","90","","90","","90","","4825.7","0.15","293","2","293","2","","","","","","","","6","P 42/n :2","-P 4bc","86","Compound X","","","- C92 H66 Cu4 Mo N26 O12 -","- C92 H66 Cu4 Mo N26 O12 -","- C184 H132 Cu8 Mo2 N52 O24 -","2","0.25","","Korzeniak, Tomasz; Pinkowicz, Dawid; Nitek, Wojciech; Dańko, Tomasz; Pełka, Robert; Sieklucka, Barbara","Photoswitchable CuMo(IV) and CuMo(IV) cyanido-bridged molecules.","Dalton transactions (Cambridge, England : 2003)","2016","45","42","16585","16595","10.1039/c6dt01957a","","","0.71073","MoKα","","0.0865","0.0525","","","0.1236","0.1461","","","","26.113","26.113","1.067","","","","has coordinates","188224","2020-10-21","18:00:00",""
"7039662","12.8947","0.0011","14.289","0.0012","15.8971","0.0014","79.212","0.004","66.424","0.004","72.272","0.004","2549.9","0.4","150","2","150","2","","","","","","","synthesis as described","7","P -1","-P 1","2","","","","- C42 H42 B2 Cl4 Fe N12 S6 -","- C42 H42 B2 Cl4 Fe N12 S6 -","- C84 H84 B4 Cl8 Fe2 N24 S12 -","2","1","","Pointillart, F.; Liu, X.; Kepenekian, M.; Le Guennic, B.; Golhen, S.; Dorcet, V.; Roisnel, T.; Cador, O.; You, Z.; Hauser, J.; Decurtins, S.; Ouahab, L.; Liu, S.-X.","Thermal and near-infrared light induced spin crossover in a mononuclear iron(ii) complex with a tetrathiafulvalene-fused dipyridophenazine ligand.","Dalton transactions (Cambridge, England : 2003)","2016","45","28","11267","11271","10.1039/c6dt00920d","","x-ray","0.71073","MoKα","","0.073","0.0547","","","0.1562","0.1796","","","","","","1.058","","","","has coordinates,has disorder","185495","2020-10-21","18:00:00",""
"7039663","19.754","0.007","11.976","0.004","13.006","0.007","90","0.004","94.369","0.002","90","0.11","3068","2","123","2","123","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C22 H32 Cu2 F12 N8 P2 -","- C22 H32 Cu2 F12 N8 P2 -","- C88 H128 Cu8 F48 N32 P8 -","4","0.5","","Nishikawa, Michihiro; Sano, Taichi; Washimi, Masaya; Takao, Koichiro; Tsubomura, Taro","Emission properties and Cu(i)-Cu(i) interaction in 2-coordinate dicopper(i)-bis(N-heterocyclic)carbene complexes.","Dalton transactions (Cambridge, England : 2003)","2016","45","30","12127","12136","10.1039/c6dt01239f","","","0.7107","MoKα","","0.0892","0.0659","","","","0.1731","","","","","","1.122","","","","has coordinates","185322","2020-10-21","18:00:00",""
"7039664","7.815","0.004","12.3","0.007","20.279","0.012","87.868","0.011","87.445","0.01","83.528","0.01","1933.9","1.9","123","2","123","2","","","","","","","","7","P -1","-P 1","2","","","","- C29 H46 Cu2 F12 N8 O P2 -","- C29 H46 Cu2 F12 N8 O P2 -","- C58 H92 Cu4 F24 N16 O2 P4 -","2","1","","Nishikawa, Michihiro; Sano, Taichi; Washimi, Masaya; Takao, Koichiro; Tsubomura, Taro","Emission properties and Cu(i)-Cu(i) interaction in 2-coordinate dicopper(i)-bis(N-heterocyclic)carbene complexes.","Dalton transactions (Cambridge, England : 2003)","2016","45","30","12127","12136","10.1039/c6dt01239f","","","0.7107","MoKα","","0.0712","0.0572","","","","0.1341","","","","","","1.129","","","","has coordinates","185322","2020-10-21","18:00:00",""
"7039665","14.085","0.007","30.823","0.015","15.148","0.008","90","0.007","111.751","0.001","90","0.07","6108","5","123","2","123","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C52 H60 Cu2 F12 N8 O6 P2 -","- C52 H60 Cu2 F12 N8 O6 P2 -","- C208 H240 Cu8 F48 N32 O24 P8 -","4","0.5","","Nishikawa, Michihiro; Sano, Taichi; Washimi, Masaya; Takao, Koichiro; Tsubomura, Taro","Emission properties and Cu(i)-Cu(i) interaction in 2-coordinate dicopper(i)-bis(N-heterocyclic)carbene complexes.","Dalton transactions (Cambridge, England : 2003)","2016","45","30","12127","12136","10.1039/c6dt01239f","","","0.7107","MoKα","","0.134","0.1295","","","","0.3129","","","","","","1.202","","","","has coordinates,has disorder","185322","2020-10-21","18:00:00",""
"7039666","14.77","0.006","14.987","0.006","15.349","0.006","98.795","0.003","107.088","0.004","100.076","0.003","3121","2","123","2","123.15","","","","","","","","","7","P -1","-P 1","2","","","","- C58 H74 Cu2 F12 N8 O P2 -","- C58 H74 Cu2 F12 N8 O P2 -","- C116 H148 Cu4 F24 N16 O2 P4 -","2","1","","Nishikawa, Michihiro; Sano, Taichi; Washimi, Masaya; Takao, Koichiro; Tsubomura, Taro","Emission properties and Cu(i)-Cu(i) interaction in 2-coordinate dicopper(i)-bis(N-heterocyclic)carbene complexes.","Dalton transactions (Cambridge, England : 2003)","2016","45","30","12127","12136","10.1039/c6dt01239f","","","0.7107","MoKα","","","0.0668","","","","0.1809","","","","","","1.06","","","","has coordinates,has disorder","185322","2020-10-21","18:00:00",""
"7039667","9.369","0.003","21.885","0.006","33.532","0.009","90","","90","","90","","6875","3","93.15","","93","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C130 H230 B4 Cl4 Ir4 N8 P8 -","- C130 H230 B4 Cl4 Ir4 N8 P8 -","- C260 H460 B8 Cl8 Ir8 N16 P16 -","2","0.25","","Kwan, Enrique Huang; Kawai, Yasushi Jack; Kamakura, Sei; Yamashita, Makoto","A long-tethered (P-B-P)-pincer ligand: synthesis, complexation, and application to catalytic dehydrogenation of alkanes.","Dalton transactions (Cambridge, England : 2003)","2016","45","40","15931","15941","10.1039/c6dt02075e","","","0.71075","MoKα","","0.0611","0.0501","","","0.0889","0.0928","","","","","","1.184","","","","has coordinates,has disorder","188205","2020-10-21","18:00:00",""
"7039668","33.074","0.011","8.348","0.003","24.59","0.009","90","","119.367","0.004","90","","5917","4","93.15","","93","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C28 H54 B Ir N2 P2 -","- C28 H54 B Ir N2 P2 -","- C224 H432 B8 Ir8 N16 P16 -","8","1","","Kwan, Enrique Huang; Kawai, Yasushi Jack; Kamakura, Sei; Yamashita, Makoto","A long-tethered (P-B-P)-pincer ligand: synthesis, complexation, and application to catalytic dehydrogenation of alkanes.","Dalton transactions (Cambridge, England : 2003)","2016","45","40","15931","15941","10.1039/c6dt02075e","","","0.71075","MoKα","","0.0588","0.05","","","0.0941","0.0985","","","","","","1.133","","","","has coordinates","188205","2020-10-21","18:00:00",""
"7039669","12.8733","0.0004","13.2711","0.0004","15.8278","0.0004","67.607","0.001","69.053","0.001","75.442","0.001","2314.07","0.12","173.15","","173.15","","","","","","","","","8","P -1","-P 1","2","","","","- C83 H94 Cl10 F10 N4 O6 P2 S2 -","- C83 H94 Cl10 F10 N4 O6 P2 S2 -","- C83 H94 Cl10 F10 N4 O6 P2 S2 -","1","0.5","","Schwedtmann, Kai; Schoemaker, Robin; Hennersdorf, Felix; Bauzá, Antonio; Frontera, Antonio; Weiss, Robert; Weigand, Jan J.","Cationic 5-phosphonio-substituted N-heterocyclic carbenes.","Dalton transactions (Cambridge, England : 2003)","2016","45","28","11384","11396","10.1039/c6dt01871h","","","0.71073","MoKα","","0.0613","0.0459","","","0.1245","0.1341","","","","","","1.046","","","","has coordinates,has disorder","185501","2020-10-21","18:00:00",""
"7039670","14.924","0.013","15.476","0.013","20.278","0.018","90","","107.78","0.02","90","","4460","7","153","2","153.15","","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C42 H47 Cl2 F6 N2 O6 P S2 -","- C42 H47 Cl2 F6 N2 O6 P S2 -","- C168 H188 Cl8 F24 N8 O24 P4 S8 -","4","1","","Schwedtmann, Kai; Schoemaker, Robin; Hennersdorf, Felix; Bauzá, Antonio; Frontera, Antonio; Weiss, Robert; Weigand, Jan J.","Cationic 5-phosphonio-substituted N-heterocyclic carbenes.","Dalton transactions (Cambridge, England : 2003)","2016","45","28","11384","11396","10.1039/c6dt01871h","","","0.71073","MoKα","","0.063","0.0439","","","0.1064","0.1162","","","","","","1.039","","","","has coordinates","185501","2020-10-21","18:00:00",""
"7039671","10.5789","0.0017","14.667","0.003","15.965","0.003","64.828","0.009","70.98","0.009","85.838","0.009","2113.2","0.7","123","2","123.15","","","","","","","","","8","P -1","-P 1","2","","","","- C44 H49 Cl F4 N2 O3 P S -","- C44 H49 Cl F4 N2 O3 P S -","- C88 H98 Cl2 F8 N4 O6 P2 S2 -","2","1","","Schwedtmann, Kai; Schoemaker, Robin; Hennersdorf, Felix; Bauzá, Antonio; Frontera, Antonio; Weiss, Robert; Weigand, Jan J.","Cationic 5-phosphonio-substituted N-heterocyclic carbenes.","Dalton transactions (Cambridge, England : 2003)","2016","45","28","11384","11396","10.1039/c6dt01871h","","","0.71073","MoKα","","0.0708","0.0525","","","0.1281","0.1408","","","","","","1.025","","","","has coordinates,has disorder","185501","2020-10-21","18:00:00",""
"7039672","12.5233","0.0017","14.818","0.0018","24.22","0.002","90","","99.726","0.005","90","","4429.9","0.9","153.15","","153.15","","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C41 H44 Cl2 F7 N2 O6 P S2 -","- C41 H44 Cl2 F7 N2 O6 P S2 -","- C164 H176 Cl8 F28 N8 O24 P4 S8 -","4","1","","Schwedtmann, Kai; Schoemaker, Robin; Hennersdorf, Felix; Bauzá, Antonio; Frontera, Antonio; Weiss, Robert; Weigand, Jan J.","Cationic 5-phosphonio-substituted N-heterocyclic carbenes.","Dalton transactions (Cambridge, England : 2003)","2016","45","28","11384","11396","10.1039/c6dt01871h","","","0.71073","MoKα","","0.0947","0.0541","","","0.124","0.1432","","","","","","1.027","","","","has coordinates","185501","2020-10-21","18:00:00",""
"7039673","16.2304","0.0011","18.8946","0.0012","29.2339","0.0018","90","","94.813","0.002","90","","8933.5","1","100","","100","","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C46 H48 Cl2 F5 N2 O3 P S -","- C46 H48 Cl2 F5 N2 O3 P S -","- C368 H384 Cl16 F40 N16 O24 P8 S8 -","8","2","","Schwedtmann, Kai; Schoemaker, Robin; Hennersdorf, Felix; Bauzá, Antonio; Frontera, Antonio; Weiss, Robert; Weigand, Jan J.","Cationic 5-phosphonio-substituted N-heterocyclic carbenes.","Dalton transactions (Cambridge, England : 2003)","2016","45","28","11384","11396","10.1039/c6dt01871h","","","0.71073","MoKα","","0.0883","0.0689","","","0.1495","0.1567","","","","","","1.168","","","","has coordinates,has disorder","185501","2020-10-21","18:00:00",""
"7039674","12.4108","0.0002","12.7149","0.0003","14.6973","0.0003","106.969","0.0017","91.5755","0.0014","100.697","0.0016","2171.49","0.08","100","","100","","","","","","","","","8","P -1","-P 1","2","","","","- C46 H48 Cl2 F5 N2 O3 P S -","- C46 H48 Cl2 F5 N2 O3 P S -","- C92 H96 Cl4 F10 N4 O6 P2 S2 -","2","1","","Schwedtmann, Kai; Schoemaker, Robin; Hennersdorf, Felix; Bauzá, Antonio; Frontera, Antonio; Weiss, Robert; Weigand, Jan J.","Cationic 5-phosphonio-substituted N-heterocyclic carbenes.","Dalton transactions (Cambridge, England : 2003)","2016","45","28","11384","11396","10.1039/c6dt01871h","","","0.71073","MoKα","","0.062","0.0398","","","0.0898","0.0996","","","","","","1.022","","","","has coordinates","185501","2020-10-21","18:00:00",""
"7039675","12.2965","0.0003","28.6164","0.0008","12.7029","0.0004","90","","91.453","0.002","90","","4468.5","0.2","100","","100","","","","","","","","","9","P 1 21/n 1","-P 2yn","14","","","","- C42 H49 Au Cl4 F3 N2 O3 P S -","- C42 H49 Au Cl4 F3 N2 O3 P S -","- C168 H196 Au4 Cl16 F12 N8 O12 P4 S4 -","4","1","","Schwedtmann, Kai; Schoemaker, Robin; Hennersdorf, Felix; Bauzá, Antonio; Frontera, Antonio; Weiss, Robert; Weigand, Jan J.","Cationic 5-phosphonio-substituted N-heterocyclic carbenes.","Dalton transactions (Cambridge, England : 2003)","2016","45","28","11384","11396","10.1039/c6dt01871h","","","0.71073","MoKα","","0.0494","0.0393","","","0.0921","0.0957","","","","","","1.081","","","","has coordinates","185501","2020-10-21","18:00:00",""
"7039676","12.055","0.0004","32.3002","0.0011","12.1453","0.0005","90","","91.944","0.002","90","","4726.4","0.3","173","","173","","","","","","","","","10","P 1 21/n 1","-P 2yn","14","","","","- C45 H53 Br Cl Cu F3 N4 O3 P S -","- C45 H53 Br Cl Cu F3 N4 O3 P S -","- C180 H212 Br4 Cl4 Cu4 F12 N16 O12 P4 S4 -","4","1","","Schwedtmann, Kai; Schoemaker, Robin; Hennersdorf, Felix; Bauzá, Antonio; Frontera, Antonio; Weiss, Robert; Weigand, Jan J.","Cationic 5-phosphonio-substituted N-heterocyclic carbenes.","Dalton transactions (Cambridge, England : 2003)","2016","45","28","11384","11396","10.1039/c6dt01871h","","","0.71073","MoKα","","0.0736","0.0475","","","0.1101","0.1202","","","","","","1.026","","","","has coordinates,has disorder","185501","2020-10-21","18:00:00",""
"7039677","11.8603","0.0006","28.3452","0.0014","13.1731","0.0006","90","","92.001","0.003","90","","4425.9","0.4","100","","100","","","","","","","","","9","P 1 21/n 1","-P 2yn","14","","","","- C41 H46 Au Cl4 F4 N2 O3 P S -","- C40.999 H45.998 Au Cl3.998 F4 N2 O3 P S -","- C163.996 H183.992 Au4 Cl15.992 F16 N8 O12 P4 S4 -","4","1","","Schwedtmann, Kai; Schoemaker, Robin; Hennersdorf, Felix; Bauzá, Antonio; Frontera, Antonio; Weiss, Robert; Weigand, Jan J.","Cationic 5-phosphonio-substituted N-heterocyclic carbenes.","Dalton transactions (Cambridge, England : 2003)","2016","45","28","11384","11396","10.1039/c6dt01871h","","","0.71073","MoKα","","0.0482","0.0323","","","0.0652","0.0697","","","","","","1.04","","","","has coordinates,has disorder","185501","2020-10-21","18:00:00",""
"7039678","10.8203","0.0003","14.3026","0.0004","18.3756","0.0002","71.9557","0.0017","88.5118","0.0016","78.384","0.002","2646.51","0.11","100.1","0.2","100.1","0.2","","","","","","","","9","P -1","-P 1","2","","","","- C53 H69 Cl2 F3 N2 O4 P Rh S -","- C53 H69 Cl2 F3 N2 O4 P Rh S -","- C106 H138 Cl4 F6 N4 O8 P2 Rh2 S2 -","2","1","","Schwedtmann, Kai; Schoemaker, Robin; Hennersdorf, Felix; Bauzá, Antonio; Frontera, Antonio; Weiss, Robert; Weigand, Jan J.","Cationic 5-phosphonio-substituted N-heterocyclic carbenes.","Dalton transactions (Cambridge, England : 2003)","2016","45","28","11384","11396","10.1039/c6dt01871h","","x-ray","1.54184","CuKα","","0.0412","0.0376","","","0.1035","0.1086","","","","","","1.068","","","","has coordinates","185501","2020-10-21","18:00:00",""
"7039679","17.14476","0.00019","17.1735","0.0003","18.09533","0.00013","98.7772","0.0011","101.643","0.0008","97.9382","0.0012","5078.05","0.12","100.1","0.3","100.1","0.3","","","","","","","","9","P -1","-P 1","2","","","","- C91 H112 Ag Cl2 F9 N5 O10.5 P2 S3 -","- C90.9996 H111.999 Ag Cl2 F9 N5 O10.4999 P2 S3 -","- C181.999 H223.998 Ag2 Cl4 F18 N10 O20.9998 P4 S6 -","2","1","","Schwedtmann, Kai; Schoemaker, Robin; Hennersdorf, Felix; Bauzá, Antonio; Frontera, Antonio; Weiss, Robert; Weigand, Jan J.","Cationic 5-phosphonio-substituted N-heterocyclic carbenes.","Dalton transactions (Cambridge, England : 2003)","2016","45","28","11384","11396","10.1039/c6dt01871h","","x-ray","1.54184","CuKα","","0.0818","0.0771","","","0.2157","0.2214","","","","","","1.053","","","","has coordinates,has disorder","185501","2020-10-21","18:00:00",""
"7039680","10.7069","0.0002","21.3249","0.0004","19.5715","0.0005","90","","102.332","0.002","90","","4365.53","0.16","100.01","0.1","100.01","0.1","","","","","","","","9","P 1 21/c 1","-P 2ybc","14","","","","- C44 H52 Au Cl2 F3 N3 O3 P S -","- C44 H52 Au Cl2 F3 N3 O3 P S -","- C176 H208 Au4 Cl8 F12 N12 O12 P4 S4 -","4","1","","Schwedtmann, Kai; Schoemaker, Robin; Hennersdorf, Felix; Bauzá, Antonio; Frontera, Antonio; Weiss, Robert; Weigand, Jan J.","Cationic 5-phosphonio-substituted N-heterocyclic carbenes.","Dalton transactions (Cambridge, England : 2003)","2016","45","28","11384","11396","10.1039/c6dt01871h","","x-ray","1.54184","CuKα","","0.0339","0.0309","","","0.0757","0.0775","","","","","","1.05","","","","has coordinates","185501","2020-10-21","18:00:00",""
"7039681","18.0515","0.0009","13.7825","0.0006","20.6137","0.0009","90","","90.735","0.002","90","","5128.2","0.4","173","","173","","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C50 H69 Cl F3 N2 O5 P S -","- C50 H69 Cl F3 N2 O5 P S -","- C200 H276 Cl4 F12 N8 O20 P4 S4 -","4","1","","Schwedtmann, Kai; Schoemaker, Robin; Hennersdorf, Felix; Bauzá, Antonio; Frontera, Antonio; Weiss, Robert; Weigand, Jan J.","Cationic 5-phosphonio-substituted N-heterocyclic carbenes.","Dalton transactions (Cambridge, England : 2003)","2016","45","28","11384","11396","10.1039/c6dt01871h","","","0.71073","MoKα","","0.0811","0.0622","","","0.1801","0.1968","","","","","","1.023","","","","has coordinates","185501","2020-10-21","18:00:00",""
"7039682","21.61588","0.00004","21.61899","0.00005","41.02783","0.00008","90","","90","","90","","19172.9","0.07","100.01","0.1","100.01","0.1","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C45 H55 Cl F6 N2 O6.5 P S2 -","- C45 H55 Cl F6 N2 O6.5 P S2 -","- C720 H880 Cl16 F96 N32 O104 P16 S32 -","16","4","","Schwedtmann, Kai; Schoemaker, Robin; Hennersdorf, Felix; Bauzá, Antonio; Frontera, Antonio; Weiss, Robert; Weigand, Jan J.","Cationic 5-phosphonio-substituted N-heterocyclic carbenes.","Dalton transactions (Cambridge, England : 2003)","2016","45","28","11384","11396","10.1039/c6dt01871h","","x-ray","1.54184","CuKα","","0.0397","0.0397","","","0.1073","0.1073","","","","","","1.053","","","","has coordinates,has disorder","185501","2020-10-21","18:00:00",""
"7039683","5.66636","0.00006","13.6052","0.0002","13.6584","0.0002","82.2181","0.0009","78.8756","0.0009","87.9581","0.0008","1023.6","0.02","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C7 H13 Au Cl N3 -","- C7 H13 Au Cl N3 -","- C28 H52 Au4 Cl4 N12 -","4","2","","Pretorius, René; Fructos, Manuel R.; Müller-Bunz, Helge; Gossage, Robert A.; Pérez, Pedro J; Albrecht, Martin","Synthesis and catalytic applications of 1,2,3-triazolylidene gold(i) complexes in silver-free oxazoline syntheses and C-H bond activation.","Dalton transactions (Cambridge, England : 2003)","2016","45","37","14591","14602","10.1039/c6dt02181f","","","0.71073","MoKα","","0.0237","0.0201","","","0.044","0.046","","","","","","1.051","","","","has coordinates","187147","2020-10-21","18:00:00",""
"7039684","13.0817","0.0002","9.70652","0.00012","12.2839","0.0002","90","","100.139","0.0013","90","","1535.42","0.04","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C12 H21 Au Cl N3 O2 -","- C12 H21 Au Cl N3 O2 -","- C48 H84 Au4 Cl4 N12 O8 -","4","1","","Pretorius, René; Fructos, Manuel R.; Müller-Bunz, Helge; Gossage, Robert A.; Pérez, Pedro J; Albrecht, Martin","Synthesis and catalytic applications of 1,2,3-triazolylidene gold(i) complexes in silver-free oxazoline syntheses and C-H bond activation.","Dalton transactions (Cambridge, England : 2003)","2016","45","37","14591","14602","10.1039/c6dt02181f","","","0.71073","MoKα","","0.0262","0.0219","","","0.0446","0.0466","","","","","","1.049","","","","has coordinates","187147","2020-10-21","18:00:00",""
"7039685","9.0044","0.0002","11.9604","0.0003","15.0383","0.0003","89.133","0.002","81.768","0.002","86.78","0.002","1600.31","0.06","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C30 H36 Au F3 N3 O3 P S -","- C30 H36 Au F3 N3 O3 P S -","- C60 H72 Au2 F6 N6 O6 P2 S2 -","2","1","","Pretorius, René; Fructos, Manuel R.; Müller-Bunz, Helge; Gossage, Robert A.; Pérez, Pedro J; Albrecht, Martin","Synthesis and catalytic applications of 1,2,3-triazolylidene gold(i) complexes in silver-free oxazoline syntheses and C-H bond activation.","Dalton transactions (Cambridge, England : 2003)","2016","45","37","14591","14602","10.1039/c6dt02181f","","","0.71073","MoKα","","0.0339","0.0312","","","0.0687","0.0717","","","","","","1.028","","","","has coordinates","187147","2020-10-21","18:00:00",""
"7039686","7.4494","0.0002","11.8071","0.0003","15.6623","0.0003","90","","90.017","0.003","90","","1377.59","0.06","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C10 H19 Au Cl N3 O -","- C10 H19 Au Cl N3 O -","- C40 H76 Au4 Cl4 N12 O4 -","4","1","","Pretorius, René; Fructos, Manuel R.; Müller-Bunz, Helge; Gossage, Robert A.; Pérez, Pedro J; Albrecht, Martin","Synthesis and catalytic applications of 1,2,3-triazolylidene gold(i) complexes in silver-free oxazoline syntheses and C-H bond activation.","Dalton transactions (Cambridge, England : 2003)","2016","45","37","14591","14602","10.1039/c6dt02181f","","x-ray","0.71073","MoKα","","0.0346","0.0317","","","0.0783","0.08","","","","","","1.068","","","","has coordinates","187147","2020-10-21","18:00:00",""
"7039687","9.3618","0.0003","12.2726","0.0004","12.4098","0.0004","88.813","0.001","72.816","0.001","78.888","0.001","1335.62","0.08","100","2","100","2","","","","","","","synthesis as described","6","P -1","-P 1","2","","","","- C24 H32 Cl4 N2 O4 V -","- C24 H32 Cl4 N2 O4 V -","- C48 H64 Cl8 N4 O8 V2 -","2","1","","Phuphuak, Yupin; Bonnet, Fanny; Vendier, Laure; Lorber, Christian; Zinck, Philippe","Isoprene polymerization mediated by vanadium-[ONNO] complexes.","Dalton transactions (Cambridge, England : 2003)","2016","45","30","12069","12077","10.1039/c6dt02288j","","","0.71073","MoKα","","0.0271","0.0239","","","0.0711","0.0796","","","","","","1.187","","","","has coordinates","185317","2020-10-21","18:00:00",""
"7039688","14.3277","0.0006","16.065","0.0008","19.7602","0.001","80.983","0.002","89.501","0.002","70.128","0.002","4219.7","0.4","100","2","100","2","","","","","","","synthesis as described","5","P -1","-P 1","2","","","","- C40 H68 N2 O4 V -","- C40 H68 N2 O4 V -","- C160 H272 N8 O16 V4 -","4","2","","Phuphuak, Yupin; Bonnet, Fanny; Vendier, Laure; Lorber, Christian; Zinck, Philippe","Isoprene polymerization mediated by vanadium-[ONNO] complexes.","Dalton transactions (Cambridge, England : 2003)","2016","45","30","12069","12077","10.1039/c6dt02288j","","","0.71073","MoKα","","0.0935","0.0617","","","0.1463","0.1596","","","","","","1.055","","","","has coordinates","185317","2020-10-21","18:00:00",""
"7039689","11.454","0.0008","20.9192","0.0015","22.0993","0.0016","90","","90","","90","","5295.2","0.7","120","","120","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C19 H29 N O3 -","- C19 H29 N O3 -","- C228 H348 N12 O36 -","12","3","","Davidson, Ross; Hsu, Yu-Ting; Batchelor, Thomas; Yufit, Dmitry; Beeby, Andrew","The use of organolithium reagents for the synthesis of 4-aryl-2-phenylpyridines and their corresponding iridium(iii) complexes.","Dalton transactions (Cambridge, England : 2003)","2016","45","28","11496","11507","10.1039/c6dt01461e","","x-ray","0.71073","MoKα","","0.0844","0.0539","","","0.1005","0.1112","","","","","","1.029","","","","has coordinates","185493","2020-10-21","18:00:00",""
"7039690","6.3784","0.0003","9.463","0.0006","12.6226","0.0006","105.666","0.005","99.952","0.004","106.901","0.005","675.27","0.07","120","","120","","","","","","","","","5","P -1","-P 1","2","","","","- C14 H16 F3 N O2 -","- C14 H16 F3 N O2 -","- C28 H32 F6 N2 O4 -","2","1","","Davidson, Ross; Hsu, Yu-Ting; Batchelor, Thomas; Yufit, Dmitry; Beeby, Andrew","The use of organolithium reagents for the synthesis of 4-aryl-2-phenylpyridines and their corresponding iridium(iii) complexes.","Dalton transactions (Cambridge, England : 2003)","2016","45","28","11496","11507","10.1039/c6dt01461e","","x-ray","0.71073","MoKα","","0.06","0.0463","","","0.1105","0.1202","","","","","","1.035","","","","has coordinates","185493","2020-10-21","18:00:00",""
"7039691","13.818","0.003","14.101","0.003","19.071","0.004","94.29","0.03","98.66","0.03","118.08","0.03","3195.6","1.6","120","","120","","","","","","","","","5","P -1","-P 1","2","","","","- C41 H35 Ir N2 O2 -","- C41 H35 Ir N2 O2 -","- C164 H140 Ir4 N8 O8 -","4","2","","Davidson, Ross; Hsu, Yu-Ting; Batchelor, Thomas; Yufit, Dmitry; Beeby, Andrew","The use of organolithium reagents for the synthesis of 4-aryl-2-phenylpyridines and their corresponding iridium(iii) complexes.","Dalton transactions (Cambridge, England : 2003)","2016","45","28","11496","11507","10.1039/c6dt01461e","","x-ray","0.71073","MoKα","","0.0533","0.038","","","0.0842","0.0912","","","","","","1.05","","","","has coordinates","185493","2020-10-21","18:00:00",""
"7039692","11.2366","0.0004","12.7646","0.0006","13.7741","0.0006","102.782","0.004","108.667","0.004","107.287","0.004","1674.3","0.16","120","","120","","","","","","","","","5","P -1","-P 1","2","","","","- C42 H36 Ir N3 O4 -","- C42 H36 Ir N3 O4 -","- C84 H72 Ir2 N6 O8 -","2","1","","Davidson, Ross; Hsu, Yu-Ting; Batchelor, Thomas; Yufit, Dmitry; Beeby, Andrew","The use of organolithium reagents for the synthesis of 4-aryl-2-phenylpyridines and their corresponding iridium(iii) complexes.","Dalton transactions (Cambridge, England : 2003)","2016","45","28","11496","11507","10.1039/c6dt01461e","","","0.71073","MoKα","","0.0746","0.0532","","","0.1031","0.1132","","","","","","1.029","","","","has coordinates,has disorder","185493","2020-10-21","18:00:00",""
"7039693","12.5811","0.0008","13.1174","0.0008","13.6793","0.0009","112.105","0.002","116.526","0.001","90.323","0.002","1829.9","0.2","120","","120","","","","","","","","","5","P -1","-P 1","2","","","","- C45 H43 Ir N2 O2 -","- C45 H43 Ir N2 O2 -","- C90 H86 Ir2 N4 O4 -","2","1","","Davidson, Ross; Hsu, Yu-Ting; Batchelor, Thomas; Yufit, Dmitry; Beeby, Andrew","The use of organolithium reagents for the synthesis of 4-aryl-2-phenylpyridines and their corresponding iridium(iii) complexes.","Dalton transactions (Cambridge, England : 2003)","2016","45","28","11496","11507","10.1039/c6dt01461e","","x-ray","0.71073","MoKα","","0.0731","0.0497","","","0.1066","0.1146","","","","","","1.078","","","","has coordinates","185493","2020-10-21","18:00:00",""
"7039694","9.38","0.0006","14.4932","0.0009","14.9593","0.0009","69.04","0.01","74.26","0.01","71.55","0.01","1772.6","0.2","120","","120","","","","","","","","","6","P -1","-P 1","2","","","","- C42 H37 Cl2 Ir N2 O4 -","- C42 H37 Cl2 Ir N2 O4 -","- C84 H74 Cl4 Ir2 N4 O8 -","2","1","","Davidson, Ross; Hsu, Yu-Ting; Batchelor, Thomas; Yufit, Dmitry; Beeby, Andrew","The use of organolithium reagents for the synthesis of 4-aryl-2-phenylpyridines and their corresponding iridium(iii) complexes.","Dalton transactions (Cambridge, England : 2003)","2016","45","28","11496","11507","10.1039/c6dt01461e","","x-ray","0.71073","MoKα","","0.0556","0.0377","","","0.0738","0.079","","","","","","1.035","","","","has coordinates,has disorder","185493","2020-10-21","18:00:00",""
"7039695","22.107","0.0004","11.4122","0.0002","7.9006","0.0001","90","","90","","90","","1993.24","0.06","133","2","133","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C20 H23 Cl O2 Ru S2 -","- C20 H23 Cl O2 Ru S2 -","- C80 H92 Cl4 O8 Ru4 S8 -","4","1","","Hildebrandt, Jana; Görls, Helmar; Häfner, Norman; Ferraro, Giarita; Dürst, Matthias; Runnebaum, Ingo B.; Weigand, Wolfgang; Merlino, Antonello","Unusual mode of protein binding by a cytotoxic π-arene ruthenium(ii) piano-stool compound containing an O,S-chelating ligand.","Dalton transactions (Cambridge, England : 2003)","2016","45","31","12283","12287","10.1039/c6dt02380k","","","0.71073","MoKα","","0.0151","0.0149","","","0.0362","0.0364","","","","","","1.07","","","","has coordinates","185458","2020-10-21","18:00:00",""
"7039696","11.3552","0.0004","12.5187","0.0004","18.5545","0.0006","78.705","0.003","89.821","0.003","75.266","0.003","2498.4","0.15","150.01","0.13","150.01","0.13","","","","","","","","5","P -1","-P 1","2","","(NHSi)Fe(N{SiMe3}2)2","","- C83 H152 Fe2 N8 Si10 -","- C83 H152 Fe2 N8 Si10 -","- C83 H152 Fe2 N8 Si10 -","1","0.5","","Hänninen, Mikko M; Pal, Kuntal; Day, Benjamin M.; Pugh, Thomas; Layfield, Richard A.","A three-coordinate iron-silylene complex stabilized by ligand-ligand dispersion forces.","Dalton transactions (Cambridge, England : 2003)","2016","45","28","11301","11305","10.1039/c6dt02486f","","x-ray","0.71073","MoKα","","0.0624","0.0433","","","0.0958","0.1057","","","","","","1.031","","","","has coordinates,has disorder","185497","2020-10-21","18:00:00",""
"7039697","22.1787","0.0008","11.5351","0.0003","18.4943","0.0006","90","","114.62","0.002","90","","4301.3","0.2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C30 H30 Cu6 N12 S6 -","- C30 H30 Cu6 N12 S6 -","- C120 H120 Cu24 N48 S24 -","4","1","","Song, Jiang-Feng; Li, Si-Zhe; Zhou, Rui-Sha; Shao, Jia; Qiu, Xiao-Min; Jia, Ying-Ying; Wang, Jun; Zhang, Xiao","Three novel Cu6S6 cluster-based coordination compounds: synthesis, framework modulation and the sensing of small molecules and Fe(3+) ions.","Dalton transactions (Cambridge, England : 2003)","2016","45","29","11883","11891","10.1039/c6dt02264b","","","0.71073","MoKα","","0.0624","0.0434","","","0.1057","0.1182","","","","","","1.103","","","","has coordinates","185482","2020-10-21","18:00:00",""
"7039698","11.5116","0.0004","11.0849","0.0004","20.7805","0.0007","90","","97.415","0.003","90","","2629.52","0.16","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C30 H30 Cu12 I6 N12 S6 -","- C30 H30 Cu12 I6 N12 S6 -","- C60 H60 Cu24 I12 N24 S12 -","2","0.5","","Song, Jiang-Feng; Li, Si-Zhe; Zhou, Rui-Sha; Shao, Jia; Qiu, Xiao-Min; Jia, Ying-Ying; Wang, Jun; Zhang, Xiao","Three novel Cu6S6 cluster-based coordination compounds: synthesis, framework modulation and the sensing of small molecules and Fe(3+) ions.","Dalton transactions (Cambridge, England : 2003)","2016","45","29","11883","11891","10.1039/c6dt02264b","","","0.71073","MoKα","","0.0505","0.0302","","","0.0478","0.0519","","","","","","0.905","","","","has coordinates","185482","2020-10-21","18:00:00",""
"7039699","8.5779","0.0003","17.6149","0.0007","15.0573","0.0006","90","","96.829","0.003","90","","2259","0.15","293","2","293","2","","","","","","","","6","I 1 2/m 1","-I 2y","12","","","","- C30 H30 Br4 Cu10 N12 S6 -","- C30 H30 Br4 Cu10 N12 S6 -","- C60 H60 Br8 Cu20 N24 S12 -","2","0.25","","Song, Jiang-Feng; Li, Si-Zhe; Zhou, Rui-Sha; Shao, Jia; Qiu, Xiao-Min; Jia, Ying-Ying; Wang, Jun; Zhang, Xiao","Three novel Cu6S6 cluster-based coordination compounds: synthesis, framework modulation and the sensing of small molecules and Fe(3+) ions.","Dalton transactions (Cambridge, England : 2003)","2016","45","29","11883","11891","10.1039/c6dt02264b","","","0.71073","MoKα","","0.0496","0.0351","","","0.0695","0.0765","","","","","","0.999","","","","has coordinates","185482","2020-10-21","18:00:00",""
"7039700","43.21","0.002","7.5967","0.0003","21.9571","0.0011","90","","119.633","0.001","90","","6264.8","0.5","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C28 H27 Cl2 Cu N5 O8 S2 -","- C28 H27 Cl2 Cu N5 O8 S2 -","- C224 H216 Cl16 Cu8 N40 O64 S16 -","8","1","","Maji, Ram Chandra; Das, Partha Pratim; Mishra, Saikat; Bhandari, Anirban; Maji, Milan; Patra, Apurba K.","Electron transfer mechanism of catalytic superoxide dismutation via Cu(ii/i) complexes: evidence of cupric-superoxo/-hydroperoxo species.","Dalton transactions (Cambridge, England : 2003)","2016","45","29","11898","11910","10.1039/c6dt02220k","","","0.71073","MoKα","","0.1024","0.0538","","","0.1208","0.144","","","","","","1.067","","","","has coordinates","206958","2020-10-21","18:00:00",""
"7039701","15.749","0.002","13.5061","0.0018","25.243","0.004","90","","90","","90","","5369.4","1.3","100","2","100","2","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C26 H24 Cl Cu N4 O4 S2 -","- C26 H24 Cl Cu N4 O4 S2 -","- C208 H192 Cl8 Cu8 N32 O32 S16 -","8","2","","Maji, Ram Chandra; Das, Partha Pratim; Mishra, Saikat; Bhandari, Anirban; Maji, Milan; Patra, Apurba K.","Electron transfer mechanism of catalytic superoxide dismutation via Cu(ii/i) complexes: evidence of cupric-superoxo/-hydroperoxo species.","Dalton transactions (Cambridge, England : 2003)","2016","45","29","11898","11910","10.1039/c6dt02220k","","","0.71073","MoKα","","0.1075","0.0602","","","0.1402","0.1709","","","","","","0.902","","","","has coordinates","192220","2020-10-21","18:00:00",""
"7039702","15.2606","0.0007","6.7476","0.0003","19.2173","0.0009","90","","96.6167","0.0018","90","","1965.67","0.16","100","2","100","2","","","","","","","synthetical product","5","P 1 2/c 1","-P 2yc","13","bis(2,4-di-tert-butyl-6-[(E)-(3-(methoxy)propylimino)methyl]-pheno-lato-N,O)-dioxo-molybdenum(VI)","bis(2,4-di-tert-butyl-6-[(E)-(3-(methoxy)propylimino)methyl]-pheno-lato-N,O)-dioxo-molybdenum(VI)","","- C38 H60 Mo N2 O6 -","- C38 H60 Mo N2 O6 -","- C76 H120 Mo2 N4 O12 -","2","0.5","","Zwettler, Niklas; Judmaier, Martina E.; Strohmeier, Lara; Belaj, Ferdinand; Mösch-Zanetti, Nadia C","Oxygen activation and catalytic aerobic oxidation by Mo(iv)/(vi) complexes with functionalized iminophenolate ligands.","Dalton transactions (Cambridge, England : 2003)","2016","45","37","14549","14560","10.1039/c6dt01692h","","","0.71073","MoKα","","0.0368","0.0313","","","0.0746","0.0772","","","","","","1.066","","","","has coordinates,has disorder","187142","2020-10-21","18:00:00",""
"7039703","15.4021","0.0018","15.8934","0.0017","18.927","0.002","82.417","0.006","81.517","0.005","75.416","0.005","4413","0.8","100","2","100","2","","","","","","","synthetical product","5","P -1","-P 1","2","bis(2,4-di-tert-butyl-6-[(E)-(3-(methoxy)propylimino)methyl]-pheno-lato-N,O)-dioxo-molybdenum(VI)","bis(2,4-di-tert-butyl-6-[(E)-(3-(methoxy)propylimino)methyl]-pheno-lato-N,O)-dioxo-molybdenum(VI)","","- C46 H58 Mo N4 O4 -","- C46 H58 Mo N4 O4 -","- C184 H232 Mo4 N16 O16 -","4","2","","Zwettler, Niklas; Judmaier, Martina E.; Strohmeier, Lara; Belaj, Ferdinand; Mösch-Zanetti, Nadia C","Oxygen activation and catalytic aerobic oxidation by Mo(iv)/(vi) complexes with functionalized iminophenolate ligands.","Dalton transactions (Cambridge, England : 2003)","2016","45","37","14549","14560","10.1039/c6dt01692h","","","0.71073","MoKα","","0.0893","0.0607","","","0.1276","0.1375","","","","","","1.132","","","","has coordinates,has disorder","187142","2020-10-21","18:00:00",""
"7039704","12.1713","0.001","19.2747","0.0015","23.7171","0.0019","109.396","0.0015","91.7499","0.0016","101.705","0.0015","5110.1","0.7","100","2","100","2","","","","","","","synthetical product","5","P -1","-P 1","2","bis(2,4-di-tert-butyl-6-[(E)-(3-(methoxy)propylimino)methyl]-pheno-lato-N,O)-dioxo-molybdenum(VI)","bis(2,4-di-tert-butyl-6-[(E)-(3-(methoxy)propylimino)methyl]-pheno-lato-N,O)-dioxo-molybdenum(VI)","","- C26 H33 Mo N O5 -","- C26 H33 Mo N O5 -","- C208 H264 Mo8 N8 O40 -","8","4","","Zwettler, Niklas; Judmaier, Martina E.; Strohmeier, Lara; Belaj, Ferdinand; Mösch-Zanetti, Nadia C","Oxygen activation and catalytic aerobic oxidation by Mo(iv)/(vi) complexes with functionalized iminophenolate ligands.","Dalton transactions (Cambridge, England : 2003)","2016","45","37","14549","14560","10.1039/c6dt01692h","","","0.71073","MoKα","","0.0534","0.0336","","","0.0887","0.098","","","","","","1.018","","","","has coordinates","187142","2020-10-21","18:00:00",""
"7039705","24.303","0.003","11.8823","0.0017","20.158","0.003","90","","123.096","0.002","90","","4876.7","1.2","100","2","100","2","","","","","","","synthetical product","6","C 1 c 1","C -2yc","9","bis(2,4-di-tert-butyl-6-[(E)-(3-(methoxy)propylimino)methyl]-pheno-lato-N,O)-dioxo-molybdenum(VI)","bis(2,4-di-tert-butyl-6-[(E)-(3-(methoxy)propylimino)methyl]-pheno-lato-N,O)-dioxo-molybdenum(VI)","","- C49 H67 Mo N4 O3 P -","- C49 H67 Mo N4 O3 P -","- C196 H268 Mo4 N16 O12 P4 -","4","1","","Zwettler, Niklas; Judmaier, Martina E.; Strohmeier, Lara; Belaj, Ferdinand; Mösch-Zanetti, Nadia C","Oxygen activation and catalytic aerobic oxidation by Mo(iv)/(vi) complexes with functionalized iminophenolate ligands.","Dalton transactions (Cambridge, England : 2003)","2016","45","37","14549","14560","10.1039/c6dt01692h","","","0.71073","MoKα","","0.0281","0.0257","","","0.0622","0.0635","","","","","","1.049","","","","has coordinates,has disorder","187142","2020-10-21","18:00:00",""
"7039706","12.7072","0.0006","13.9605","0.0006","14.0637","0.0007","109.148","0.0019","113.226","0.0018","104","0.0016","1957.78","0.17","100","2","100","2","","","","","","","synthetical product","5","P -1","-P 1","2","bis(2,4-di-tert-butyl-6-[(E)-(3-(methoxy)propylimino)methyl]-pheno-lato-N,O)-dioxo-molybdenum(VI)","bis(2,4-di-tert-butyl-6-[(E)-(3-(methoxy)propylimino)methyl]-pheno-lato-N,O)-dioxo-molybdenum(VI)","","- C38 H60 Mo N2 O7 -","- C38 H60 Mo N2 O7 -","- C76 H120 Mo2 N4 O14 -","2","1","","Zwettler, Niklas; Judmaier, Martina E.; Strohmeier, Lara; Belaj, Ferdinand; Mösch-Zanetti, Nadia C","Oxygen activation and catalytic aerobic oxidation by Mo(iv)/(vi) complexes with functionalized iminophenolate ligands.","Dalton transactions (Cambridge, England : 2003)","2016","45","37","14549","14560","10.1039/c6dt01692h","","","0.71073","MoKα","","0.0412","0.0372","","","0.0829","0.0853","","","","","","1.131","","","","has coordinates,has disorder","187142","2020-10-21","18:00:00",""
"7039707","11.644","0.003","13.947","0.003","14.644","0.004","107.15","0.005","104.487","0.006","98.883","0.006","2132.2","0.9","100","2","100","2","","","","","","","synthetical product","5","P -1","-P 1","2","bis(2,4-di-tert-butyl-6-[(E)-(3-(methoxy)propylimino)methyl]-pheno-lato-N,O)-dioxo-molybdenum(VI)","bis(2,4-di-tert-butyl-6-[(E)-(3-(methoxy)propylimino)methyl]-pheno-lato-N,O)-dioxo-molybdenum(VI)","","- C44 H55 Mo N3 O5 -","- C44 H55 Mo N3 O5 -","- C88 H110 Mo2 N6 O10 -","2","1","","Zwettler, Niklas; Judmaier, Martina E.; Strohmeier, Lara; Belaj, Ferdinand; Mösch-Zanetti, Nadia C","Oxygen activation and catalytic aerobic oxidation by Mo(iv)/(vi) complexes with functionalized iminophenolate ligands.","Dalton transactions (Cambridge, England : 2003)","2016","45","37","14549","14560","10.1039/c6dt01692h","","","0.71073","MoKα","","0.0503","0.0368","","","0.0791","0.0855","","","","","","1.044","","","","has coordinates,has disorder","187142","2020-10-21","18:00:00",""
"7039708","20.8493","0.0005","20.8493","0.0005","17.0636","0.0006","90","","90","","120","","6423.7","0.3","100","2","100","2","","","","","","","synthetical product","5","P 62","P 62","171","tetrakis(2,4-di-tert-butyl-6-{(E)-[(3-methoxypropyl)imino]methyl}phe-nolato)-(mu2-oxo)-dioxo-di-molybdenum(V) acetonitrile solvate (1:2)","tetrakis(2,4-di-tert-butyl-6-{(E)-[(3-methoxypropyl)imino]methyl}phe-nolato)-(mu2-oxo)-dioxo-di-molybdenum(V) acetonitrile solvate (1:2)","","- C80 H126 Mo2 N6 O11 -","- C80 H126 Mo2 N6 O11 -","- C240 H378 Mo6 N18 O33 -","3","0.5","","Zwettler, Niklas; Judmaier, Martina E.; Strohmeier, Lara; Belaj, Ferdinand; Mösch-Zanetti, Nadia C","Oxygen activation and catalytic aerobic oxidation by Mo(iv)/(vi) complexes with functionalized iminophenolate ligands.","Dalton transactions (Cambridge, England : 2003)","2016","45","37","14549","14560","10.1039/c6dt01692h","","","0.71073","MoKα","","0.0885","0.0547","","","0.109","0.1272","","","","","","1.034","","","","has coordinates,has disorder","187142","2020-10-21","18:00:00",""
"7039709","22.5334","0.0014","27.4539","0.0014","20.7788","0.0012","90","","122.123","0.003","90","","10886.5","1.1","100","2","100","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C57 H40 Cl F4 Ir N11 O6 Re -","- C57 H40 Cl F4 Ir N11 O6 Re -","- C456 H320 Cl8 F32 Ir8 N88 O48 Re8 -","8","1","","Saad, Suad T.; Metherell, Alexander J.; Baggaley, Elizabeth; Ward, Michael D.","Synthesis and photophysical properties of Ir(iii)/Re(i) dyads: control of Ir→Re photoinduced energy transfer.","Dalton transactions (Cambridge, England : 2003)","2016","45","28","11568","11579","10.1039/c6dt01614f","","","0.71073","MoKα","","0.0605","0.0416","","","0.0935","0.1055","","","","","","1.078","","","","has coordinates,has disorder","185508","2020-10-21","18:00:00",""
"7039710","17.2876","0.001","13.6694","0.0009","24.8368","0.0014","90","","94.513","0.002","90","","5851","0.6","100","2","100","2","","","","","","","","8","P 1 2/n 1","-P 2yac","13","","","","- C51 H35 Cl F4 Ir N10 O6 Re -","- C51 H35 Cl F4 Ir N10 O6 Re -","- C204 H140 Cl4 F16 Ir4 N40 O24 Re4 -","4","1","","Saad, Suad T.; Metherell, Alexander J.; Baggaley, Elizabeth; Ward, Michael D.","Synthesis and photophysical properties of Ir(iii)/Re(i) dyads: control of Ir→Re photoinduced energy transfer.","Dalton transactions (Cambridge, England : 2003)","2016","45","28","11568","11579","10.1039/c6dt01614f","","","0.71073","MoKα","","0.0624","0.0473","","","0.1031","0.1091","","","","","","1.082","","","","has coordinates","185508","2020-10-21","18:00:00",""
"7039711","12.999","0.003","14.835","0.003","16.683","0.003","70.94","0.009","74.193","0.008","75.254","0.008","2876.9","1","100","2","100","2","","","","","","","","9","P -1","-P 1","2","","","","- C51 H35 Cl F10 Ir N9 O3 P Re -","- C51 H35 Cl F10 Ir N9 O3 P Re -","- C102 H70 Cl2 F20 Ir2 N18 O6 P2 Re2 -","2","1","","Saad, Suad T.; Metherell, Alexander J.; Baggaley, Elizabeth; Ward, Michael D.","Synthesis and photophysical properties of Ir(iii)/Re(i) dyads: control of Ir→Re photoinduced energy transfer.","Dalton transactions (Cambridge, England : 2003)","2016","45","28","11568","11579","10.1039/c6dt01614f","","","0.71073","MoKα","","0.0302","0.0267","","","0.0841","0.0856","","","","","","1.11","","","","has coordinates,has disorder","185508","2020-10-21","18:00:00",""
"7039712","25.9203","0.001","31.5176","0.0008","46.0262","0.001","90","","90","","90","","37600.9","1.9","100","2","100","2","","","","","","","","6","F d d d","-F 2uv 2vw","70","","","","- C103 H83 F8 Ir2 N23 O7 -","- C103 H82 F8 Ir2 N23 O7 -","- C1648 H1312 F128 Ir32 N368 O112 -","16","","","Saad, Suad T.; Metherell, Alexander J.; Baggaley, Elizabeth; Ward, Michael D.","Synthesis and photophysical properties of Ir(iii)/Re(i) dyads: control of Ir→Re photoinduced energy transfer.","Dalton transactions (Cambridge, England : 2003)","2016","45","28","11568","11579","10.1039/c6dt01614f","","","0.71073","MoKα","","0.0699","0.0577","","","0.1172","0.1236","","","","","","1.119","","","","has coordinates,has disorder","185508","2020-10-21","18:00:00",""
"7039713","11.7521","0.0003","12.3798","0.0004","34.4727","0.001","86.249","0.001","85.957","0.002","71.791","0.001","4747.4","0.2","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C104 H89 F8 Ir2 N20 O7.5 -","- C104 H89 F8 Ir2 N20 O7.5 -","- C208 H178 F16 Ir4 N40 O15 -","2","1","","Saad, Suad T.; Metherell, Alexander J.; Baggaley, Elizabeth; Ward, Michael D.","Synthesis and photophysical properties of Ir(iii)/Re(i) dyads: control of Ir→Re photoinduced energy transfer.","Dalton transactions (Cambridge, England : 2003)","2016","45","28","11568","11579","10.1039/c6dt01614f","","","0.71073","MoKα","","0.0968","0.0776","","","0.2106","0.2386","","","","","","1.066","","","","has coordinates,has disorder","185508","2020-10-21","18:00:00",""
"7039714","10.8363","0.0005","12.5992","0.0007","18.0874","0.0009","77.485","0.003","89.899","0.003","89.764","0.003","2410.8","0.2","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C51 H35 Cl F4 Ir N10 O6 Re -","- C51 H35 Cl F4 Ir N10 O6 Re -","- C102 H70 Cl2 F8 Ir2 N20 O12 Re2 -","2","1","","Saad, Suad T.; Metherell, Alexander J.; Baggaley, Elizabeth; Ward, Michael D.","Synthesis and photophysical properties of Ir(iii)/Re(i) dyads: control of Ir→Re photoinduced energy transfer.","Dalton transactions (Cambridge, England : 2003)","2016","45","28","11568","11579","10.1039/c6dt01614f","","","0.71073","MoKα","","0.0492","0.0312","","","0.0686","0.0864","","","","","","1.064","","","","has coordinates","185508","2020-10-21","18:00:00",""
"7039715","51.68","0.04","4.385","0.003","14.458","0.009","90","","101.481","0.012","90","","3211","4","293","2","293","2","","","","","","","","3","C 1 2/m 1","-C 2y","12","","","","- Bi4 Cs Te6 -","- Bi4 Cs Te6 -","- Bi32 Cs8 Te48 -","8","1","","Lin, Hua; Chen, Hong; Yu, Ju-Song; Zheng, Yu-Jun; Liu, Peng-Fei; Ali Khan, Muhammad; Wu, Li-Ming","CsBi4Te6: a new facile synthetic method and mid-temperature thermoelectric performance.","Dalton transactions (Cambridge, England : 2003)","2016","45","30","11931","11934","10.1039/c6dt02109c","","","0.71073","MoKα","","0.0659","0.0564","","","0.1298","0.135","","","","","","1.194","","","","has coordinates","185333","2020-10-21","18:00:00",""
"7039716","10.717","0.008","23.114","0.018","10.07","0.008","90","","104.78","0.014","90","","2412","3","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C24 H22 Mg N2 O10 -","- C24 H22 Mg N2 O10 -","- C96 H88 Mg4 N8 O40 -","4","0.5","","Zhai, Lu; Zhang, Wen-Wei; Zuo, Jing-Lin; Ren, Xiao-Ming","Simultaneous observation of ligand-based fluorescence and phosphorescence within a magnesium-based CP/MOF at room temperature.","Dalton transactions (Cambridge, England : 2003)","2016","45","30","11935","11938","10.1039/c6dt02359b","","","0.71073","MoKα","","0.0709","0.047","","","0.1161","0.13","","","","","","1.032","","","","has coordinates,has disorder","185323","2020-10-21","18:00:00",""
"7039717","12.872","0.003","14.491","0.003","15.056","0.003","90","","100.37","0.03","90","","2762.5","1.1","133","2","133","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C30 H43 Ho N2 O -","- C30 H43 Ho N2 O -","- C120 H172 Ho4 N8 O4 -","4","1","","Sroor, Farid M.; Hrib, Cristian G.; Liebing, Phil; Hilfert, Liane; Busse, Sabine; Edelmann, Frank T.","Five different types of η(8)-cyclooctatetraenyl-lanthanide half-sandwich complexes from one ligand set, including a ""giant neodymium wheel"".","Dalton transactions (Cambridge, England : 2003)","2016","45","34","13332","13346","10.1039/c6dt01974a","","","0.71073","MoKα","","0.0461","0.0362","","","0.0843","0.0881","","","","","","1.036","","","","has coordinates","186399","2020-10-21","18:00:00",""
"7039718","21.425","0.004","20.113","0.004","21.502","0.004","90","","90","","90","","9266","3","153","2","153","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C48 H72 Li N4 O Pr -","- C48 H72 Li N4 O Pr -","- C384 H576 Li8 N32 O8 Pr8 -","8","1","","Sroor, Farid M.; Hrib, Cristian G.; Liebing, Phil; Hilfert, Liane; Busse, Sabine; Edelmann, Frank T.","Five different types of η(8)-cyclooctatetraenyl-lanthanide half-sandwich complexes from one ligand set, including a ""giant neodymium wheel"".","Dalton transactions (Cambridge, England : 2003)","2016","45","34","13332","13346","10.1039/c6dt01974a","","","0.71073","MoKα","","0.0515","0.0355","","","0.079","0.0839","","","","","","1.014","","","","has coordinates","186399","2020-10-21","18:00:00",""
"7039719","17.592","0.003","20.156","0.004","20.206","0.004","90","","90","","90","","7165","2","153","2","153","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C36 H54 Li N4 Nd O -","- C36 H54 Li N4 Nd O -","- C288 H432 Li8 N32 Nd8 O8 -","8","2","","Sroor, Farid M.; Hrib, Cristian G.; Liebing, Phil; Hilfert, Liane; Busse, Sabine; Edelmann, Frank T.","Five different types of η(8)-cyclooctatetraenyl-lanthanide half-sandwich complexes from one ligand set, including a ""giant neodymium wheel"".","Dalton transactions (Cambridge, England : 2003)","2016","45","34","13332","13346","10.1039/c6dt01974a","","","0.71073","MoKα","","0.0641","0.0442","","","0.0771","0.0815","","","","","","0.917","","","","has coordinates","186399","2020-10-21","18:00:00",""
"7039720","19.23876","0.00016","19.87633","0.00016","9.97581","0.0001","90","","99.8124","0.0009","90","","3758.9","0.06","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C40 H54 Ce2 N4 -","- C40 H54 Ce2 N4 -","- C160 H216 Ce8 N16 -","4","1","","Sroor, Farid M.; Hrib, Cristian G.; Liebing, Phil; Hilfert, Liane; Busse, Sabine; Edelmann, Frank T.","Five different types of η(8)-cyclooctatetraenyl-lanthanide half-sandwich complexes from one ligand set, including a ""giant neodymium wheel"".","Dalton transactions (Cambridge, England : 2003)","2016","45","34","13332","13346","10.1039/c6dt01974a","","","1.54184","CuKα","","0.0462","0.0442","","","0.1077","0.1091","","","","","","1.13","","","","has coordinates,has disorder","186399","2020-10-21","18:00:00",""
"7039721","14.87097","0.0001","20.01756","0.00014","15.586","0.00008","90","","93.5556","0.0006","90","","4630.72","0.05","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C52 H70 Ce2 N4 -","- C52 H70 Ce2 N4 -","- C208 H280 Ce8 N16 -","4","1","","Sroor, Farid M.; Hrib, Cristian G.; Liebing, Phil; Hilfert, Liane; Busse, Sabine; Edelmann, Frank T.","Five different types of η(8)-cyclooctatetraenyl-lanthanide half-sandwich complexes from one ligand set, including a ""giant neodymium wheel"".","Dalton transactions (Cambridge, England : 2003)","2016","45","34","13332","13346","10.1039/c6dt01974a","","","1.54184","CuKα","","0.0407","0.0379","","","0.0921","0.0939","","","","","","1.1","","","","has coordinates,has disorder","186399","2020-10-21","18:00:00",""
"7039722","19.1172","0.0001","19.8054","0.0001","9.9578","0.0001","90","","99.55","0.001","90","","3718.01","0.05","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C40 H54 N4 Nd2 -","- C40 H54 N4 Nd2 -","- C160 H216 N16 Nd8 -","4","1","","Sroor, Farid M.; Hrib, Cristian G.; Liebing, Phil; Hilfert, Liane; Busse, Sabine; Edelmann, Frank T.","Five different types of η(8)-cyclooctatetraenyl-lanthanide half-sandwich complexes from one ligand set, including a ""giant neodymium wheel"".","Dalton transactions (Cambridge, England : 2003)","2016","45","34","13332","13346","10.1039/c6dt01974a","","","1.54184","CuKα","","0.0398","0.0395","","","0.096","0.0962","","","","","","1.113","","","","has coordinates,has disorder","186399","2020-10-21","18:00:00",""
"7039723","21.938","0.004","17.32","0.004","16.644","0.003","90","","112.97","0.03","90","","5823","2","153","2","153","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C56 H84 Ce2 N8 -","- C56 H84 Ce2 N8 -","- C224 H336 Ce8 N32 -","4","0.5","","Sroor, Farid M.; Hrib, Cristian G.; Liebing, Phil; Hilfert, Liane; Busse, Sabine; Edelmann, Frank T.","Five different types of η(8)-cyclooctatetraenyl-lanthanide half-sandwich complexes from one ligand set, including a ""giant neodymium wheel"".","Dalton transactions (Cambridge, England : 2003)","2016","45","34","13332","13346","10.1039/c6dt01974a","","","0.71073","MoKα","","0.0367","0.0333","","","0.0806","0.0821","","","","","","1.155","","","","has coordinates","186399","2020-10-21","18:00:00",""
"7039724","21.084","0.004","13.758","0.003","26.383","0.005","90","","102.71","0.03","90","","7465","3","143","2","143","2","","","","","","","","4","P 1 n 1","P -2yac","7","","","","- C80 H116 Ce2 N8 -","- C80 H116 Ce2 N8 -","- C320 H464 Ce8 N32 -","4","2","","Sroor, Farid M.; Hrib, Cristian G.; Liebing, Phil; Hilfert, Liane; Busse, Sabine; Edelmann, Frank T.","Five different types of η(8)-cyclooctatetraenyl-lanthanide half-sandwich complexes from one ligand set, including a ""giant neodymium wheel"".","Dalton transactions (Cambridge, England : 2003)","2016","45","34","13332","13346","10.1039/c6dt01974a","","","0.71073","MoKα","","0.0324","0.0268","","","0.0604","0.0624","","","","","","0.972","","","","has coordinates","186399","2020-10-21","18:00:00",""
"7039725","44.794","0.009","21.617","0.004","32.326","0.007","90","","125.03","0.03","90","","25631","13","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C190 H264 Cl8 N16 Nd8 -","- C190 H264 Cl8 N16 Nd8 -","- C760 H1056 Cl32 N64 Nd32 -","4","0.5","","Sroor, Farid M.; Hrib, Cristian G.; Liebing, Phil; Hilfert, Liane; Busse, Sabine; Edelmann, Frank T.","Five different types of η(8)-cyclooctatetraenyl-lanthanide half-sandwich complexes from one ligand set, including a ""giant neodymium wheel"".","Dalton transactions (Cambridge, England : 2003)","2016","45","34","13332","13346","10.1039/c6dt01974a","","","0.71073","MoKα","","0.0554","0.0478","","","0.116","0.1205","","","","","","1.056","","","","has coordinates","186399","2020-10-21","18:00:00",""
"7039726","14.726","0.007","10.43","0.005","17.323","0.008","90","","112.032","0.007","90","","2466","2","296","2","296","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C27 H23 Cd Cl2 N3 O4 -","- C27 H23 Cd Cl2 N3 O4 -","- C108 H92 Cd4 Cl8 N12 O16 -","4","1","","Xu, Zheng; Li, Guoqiang; Ren, Yuan-Yuan; Huang, Hua; Wen, Xiaoping; Xu, Qiang; Fan, Xiaotian; Huang, Zhao; Huang, Junhai; Xu, Lin","A selective fluorescent probe for the detection of Cd(2+) in different buffer solutions and water.","Dalton transactions (Cambridge, England : 2003)","2016","45","30","12087","12093","10.1039/c6dt01398h","","","0.71073","MoKα","","0.0481","0.0368","","","0.0707","0.075","","","","","","1.017","","","","has coordinates","185325","2020-10-21","18:00:00",""
"7039727","22.2921","0.0004","11.1308","0.0002","24.7662","0.0005","90","","91.639","0.002","90","","6142.7","0.2","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C75 H67 N9 O2 U -","- C75 H67 N9 O2 U -","- C300 H268 N36 O8 U4 -","4","1","","Zheng, Xiu-Jun; Bell, Nicola L.; Stevens, Charlotte J.; Zhong, Yu-Xi; Schreckenbach, Georg; Arnold, Polly L.; Love, Jason B.; Pan, Qing-Jiang","Relativistic DFT and experimental studies of mono- and bis-actinyl complexes of an expanded Schiff-base polypyrrole macrocycle.","Dalton transactions (Cambridge, England : 2003)","2016","45","40","15910","15921","10.1039/c6dt01625a","","","0.71073","MoKα","","0.0587","0.0348","","","0.0702","0.078","","","","","","1.004","","","","has coordinates,has disorder","188218","2020-10-21","18:00:00",""
"7039728","14.2852","0.0002","16.2683","0.0003","17.1398","0.0003","96.866","0.002","102.01","0.001","91.407","0.001","3863.08","0.11","170","2","170","2","","","","","","","","5","P -1","-P 1","2","","","","- C82 H96 N8 O10 U2 -","- C82 H96 N8 O10 U2 -","- C164 H192 N16 O20 U4 -","2","1","","Zheng, Xiu-Jun; Bell, Nicola L.; Stevens, Charlotte J.; Zhong, Yu-Xi; Schreckenbach, Georg; Arnold, Polly L.; Love, Jason B.; Pan, Qing-Jiang","Relativistic DFT and experimental studies of mono- and bis-actinyl complexes of an expanded Schiff-base polypyrrole macrocycle.","Dalton transactions (Cambridge, England : 2003)","2016","45","40","15910","15921","10.1039/c6dt01625a","","","0.71073","MoKα","","0.051","0.0348","","","0.0826","0.0886","","","","","","0.926","","","","has coordinates","188218","2020-10-21","18:00:00",""
"7039729","12.1947","0.0002","13.7113","0.0002","22.6712","0.0003","77.05","0.001","80.069","0.001","71.238","0.001","3477.26","0.09","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C70 H74 N8 O5 U -","- C70 H74 N8 O5 U -","- C140 H148 N16 O10 U2 -","2","1","","Zheng, Xiu-Jun; Bell, Nicola L.; Stevens, Charlotte J.; Zhong, Yu-Xi; Schreckenbach, Georg; Arnold, Polly L.; Love, Jason B.; Pan, Qing-Jiang","Relativistic DFT and experimental studies of mono- and bis-actinyl complexes of an expanded Schiff-base polypyrrole macrocycle.","Dalton transactions (Cambridge, England : 2003)","2016","45","40","15910","15921","10.1039/c6dt01625a","","","0.71073","MoKα","","0.0345","0.0289","","","0.077","0.0791","","","","","","0.999","","","","has coordinates,has disorder","188218","2020-10-21","18:00:00",""
"7039730","18.0191","0.0006","18.0191","0.0006","37.65","0.003","90","","90","","90","","12224.5","1.1","150","2","150","2","","","","","","","","5","I 41/a :2","-I 4ad","88","","","","- C35 H35 Mn N2 O4 -","- C35 H35 Mn N2 O4 -","- C560 H560 Mn16 N32 O64 -","16","1","","Valyaev, Dmitry A.; Uvarova, Marina A.; Grineva, Alina A.; César, Vincent; Nefedov, Sergei N.; Lugan, Noël","Post-coordination backbone functionalization of an imidazol-2-ylidene and its application to synthesize heteropolymetallic complexes incorporating the ambidentate IMes(CO2(-)) ligand.","Dalton transactions (Cambridge, England : 2003)","2016","45","30","11953","11957","10.1039/c6dt02060g","","x-ray","0.71073","MoKα","","0.0607","0.0404","","","0.1002","0.1131","","","","","","1.035","","","","has coordinates","185320","2020-10-21","18:00:00",""
"7039731","13.3188","0.0008","16.5533","0.0009","17.9688","0.0011","104.502","0.002","102.667","0.002","101.546","0.002","3603","0.4","100","2","100","2","","","","","","","synthesis as described","6","P -1","-P 1","2","","","","- C156 H152 Cu3 Mn4 N18 O20 -","- C156 H152 Cu3 Mn4 N18 O20 -","- C156 H152 Cu3 Mn4 N18 O20 -","1","0.5","","Valyaev, Dmitry A.; Uvarova, Marina A.; Grineva, Alina A.; César, Vincent; Nefedov, Sergei N.; Lugan, Noël","Post-coordination backbone functionalization of an imidazol-2-ylidene and its application to synthesize heteropolymetallic complexes incorporating the ambidentate IMes(CO2(-)) ligand.","Dalton transactions (Cambridge, England : 2003)","2016","45","30","11953","11957","10.1039/c6dt02060g","","x-ray","0.71073","MoKα","","0.1027","0.0528","","","0.1232","0.1484","","","","","","1.021","","","","has coordinates","185320","2020-10-21","18:00:00",""
"7039732","13.3746","0.0009","16.7199","0.0011","18.0349","0.0012","104.649","0.001","102.766","0.001","101.624","0.001","3661.2","0.4","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C156 H152 Mn4 N18 O20 Zn3 -","- C156 H152 Mn4 N18 O20 Zn3 -","- C156 H152 Mn4 N18 O20 Zn3 -","1","0.5","","Valyaev, Dmitry A.; Uvarova, Marina A.; Grineva, Alina A.; César, Vincent; Nefedov, Sergei N.; Lugan, Noël","Post-coordination backbone functionalization of an imidazol-2-ylidene and its application to synthesize heteropolymetallic complexes incorporating the ambidentate IMes(CO2(-)) ligand.","Dalton transactions (Cambridge, England : 2003)","2016","45","30","11953","11957","10.1039/c6dt02060g","","x-ray","0.71073","MoKα","","0.0746","0.0487","","","0.1243","0.139","","","","","","1.027","","","","has coordinates","185320","2020-10-21","18:00:00",""
"7039733","11.44279","0.00012","22.289","0.0002","24.0677","0.0002","90","","98.0274","0.001","90","","6078.28","0.1","170","2","170","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C70 H72 Ge N8 O5 U -","- C70 H72 Ge N8 O5 U -","- C280 H288 Ge4 N32 O20 U4 -","4","1","","Bell, Nicola L.; Arnold, Polly L.; Love, Jason B.","Controlling uranyl oxo group interactions to group 14 elements using polypyrrolic Schiff-base macrocyclic ligands.","Dalton transactions (Cambridge, England : 2003)","2016","45","40","15902","15909","10.1039/c6dt01948j","","x-ray","0.71073","MoKα","","0.0479","0.0321","","","0.0645","0.07","","","","","","1.073","","","","has coordinates,has disorder","188215","2020-10-21","18:00:00",""
"7039734","13.4766","0.0002","14.4442","0.0002","23.4695","0.0003","97.652","0.001","97.141","0.001","110.056","0.001","4181.79","0.11","170","2","170","2","","","","","","","","6","P -1","-P 1","2","","","","- C88 H78 N14 O3 Pb U -","- C88 H78 N14 O3 Pb U -","- C176 H156 N28 O6 Pb2 U2 -","2","1","","Bell, Nicola L.; Arnold, Polly L.; Love, Jason B.","Controlling uranyl oxo group interactions to group 14 elements using polypyrrolic Schiff-base macrocyclic ligands.","Dalton transactions (Cambridge, England : 2003)","2016","45","40","15902","15909","10.1039/c6dt01948j","","x-ray","0.71073","MoKα","","0.0423","0.0288","","","0.068","0.0717","","","","","","1.052","","","","has coordinates","188215","2020-10-21","18:00:00",""
"7039735","11.5029","0.0003","13.3149","0.0003","17.9962","0.0006","90.548","0.002","90.69","0.002","99.117","0.002","2721.1","0.13","170","2","170","2","","","","","","","","4","P -1","-P 1","2","","","","- C62 H60 N12 Pb2 -","- C62 H60 N12 Pb2 -","- C124 H120 N24 Pb4 -","2","1","","Bell, Nicola L.; Arnold, Polly L.; Love, Jason B.","Controlling uranyl oxo group interactions to group 14 elements using polypyrrolic Schiff-base macrocyclic ligands.","Dalton transactions (Cambridge, England : 2003)","2016","45","40","15902","15909","10.1039/c6dt01948j","","x-ray","0.71073","MoKα","","0.0698","0.0468","","","0.1354","0.1542","","","","","","1.019","","","","has coordinates","188215","2020-10-21","18:00:00",""
"7039736","11.4369","0.0002","22.3418","0.0004","24.1875","0.0004","90","","97.5479","0.0016","90","","6126.86","0.19","170","","170","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C70 H71 N8 O5 Sn U -","- C70 H72 N8 O5 Sn U -","- C280 H288 N32 O20 Sn4 U4 -","4","1","","Bell, Nicola L.; Arnold, Polly L.; Love, Jason B.","Controlling uranyl oxo group interactions to group 14 elements using polypyrrolic Schiff-base macrocyclic ligands.","Dalton transactions (Cambridge, England : 2003)","2016","45","40","15902","15909","10.1039/c6dt01948j","","x-ray","0.71073","MoKα","","0.0496","0.0359","","","0.1115","0.1232","","","","","","0.908","","","","has coordinates,has disorder","188215","2020-10-21","18:00:00",""
"7039737","12.9064","0.0004","14.3173","0.0003","17.8924","0.0005","106.269","0.002","97.424","0.002","101.336","0.002","3051.71","0.15","170","2","170","2","","","","","","","","6","P -1","-P 1","2","","","","- C46 H48 N8 O3 Pb U -","- C46 H48 N8 O3 Pb U -","- C92 H96 N16 O6 Pb2 U2 -","2","1","","Bell, Nicola L.; Arnold, Polly L.; Love, Jason B.","Controlling uranyl oxo group interactions to group 14 elements using polypyrrolic Schiff-base macrocyclic ligands.","Dalton transactions (Cambridge, England : 2003)","2016","45","40","15902","15909","10.1039/c6dt01948j","","x-ray","0.71073","MoKα","","0.1144","0.0738","","","0.1814","0.2039","","","","","","1.121","","","","has coordinates,has disorder","188215","2020-10-21","18:00:00",""
"7039738","13.4429","0.0002","19.5975","0.0003","21.9112","0.0004","90","","90","","90","","5772.45","0.16","170","2","170","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C52 H50 N10 O3 Pb U -","- C52 H50 N10 O3 Pb U -","- C208 H200 N40 O12 Pb4 U4 -","4","1","","Bell, Nicola L.; Arnold, Polly L.; Love, Jason B.","Controlling uranyl oxo group interactions to group 14 elements using polypyrrolic Schiff-base macrocyclic ligands.","Dalton transactions (Cambridge, England : 2003)","2016","45","40","15902","15909","10.1039/c6dt01948j","","x-ray","0.71073","MoKα","","0.0527","0.0388","","","0.0791","0.0851","","","","","","1.053","","","","has coordinates","188215","2020-10-21","18:00:00",""
"7039739","10.8424","0.0003","15.8907","0.0003","33.2881","0.0008","90","","90","","90","","5735.3","0.2","170","2","170","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C52 H50 N10 O2 Pb U -","- C52 H50 N10 O2 Pb U -","- C208 H200 N40 O8 Pb4 U4 -","4","1","","Bell, Nicola L.; Arnold, Polly L.; Love, Jason B.","Controlling uranyl oxo group interactions to group 14 elements using polypyrrolic Schiff-base macrocyclic ligands.","Dalton transactions (Cambridge, England : 2003)","2016","45","40","15902","15909","10.1039/c6dt01948j","","x-ray","0.71073","MoKα","","0.1163","0.0828","","","0.1471","0.1576","","","","","","1.065","","","","has coordinates","188215","2020-10-21","18:00:00",""
"7039740","22.255","0.0003","16.4556","0.0003","23.0701","0.0004","90","","105.36","0.002","90","","8146.9","0.2","170","2","170","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C87 H89 N9 O6 Pb U -","- C87 H89 N9 O6 Pb U -","- C348 H356 N36 O24 Pb4 U4 -","4","1","","Bell, Nicola L.; Arnold, Polly L.; Love, Jason B.","Controlling uranyl oxo group interactions to group 14 elements using polypyrrolic Schiff-base macrocyclic ligands.","Dalton transactions (Cambridge, England : 2003)","2016","45","40","15902","15909","10.1039/c6dt01948j","","","0.71073","MoKα","","0.0637","0.0397","","","0.0792","0.0858","","","","","","1.063","","","","has coordinates","188215","2020-10-21","18:00:00",""
"7039741","22.752","0.0002","22.2812","0.0002","24.1927","0.0003","90","","97.5987","0.001","90","","12156.6","0.2","170","2","170","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C70 H72.5 N8 O5 Pb U -","- C70 H72 N8 O5 Pb U -","- C560 H576 N64 O40 Pb8 U8 -","8","2","","Bell, Nicola L.; Arnold, Polly L.; Love, Jason B.","Controlling uranyl oxo group interactions to group 14 elements using polypyrrolic Schiff-base macrocyclic ligands.","Dalton transactions (Cambridge, England : 2003)","2016","45","40","15902","15909","10.1039/c6dt01948j","","x-ray","0.71073","MoKα","","0.0684","0.0379","","","0.118","0.142","","","","","","0.974","","","","has coordinates","188215","2020-10-21","18:00:00",""
"7039742","16.7834","0.0005","13.8374","0.0004","20.1138","0.0004","90","","90","","90","","4671.2","0.2","190","2","190.15","","","","","","","","","7","P c c a","-P 2a 2ac","54","","","","- C33 H28 Er F9 N6 O17 S3 -","- C33 H28 Er F9 N6 O17 S3 -","- C132 H112 Er4 F36 N24 O68 S12 -","4","0.5","","Chong, Bowie S. K.; Moore, Evan G.","Structure and efficient luminescence upconversion of Ln(iii) aromatic N-oxide coordination polymers.","Dalton transactions (Cambridge, England : 2003)","2016","45","30","12200","12205","10.1039/c6dt01828a","","x-ray","0.71073","MoKα","","0.0783","0.0511","","","0.1259","0.1472","","","","","","1.023","","","","has coordinates,has disorder","185327","2020-10-21","18:00:00",""
"7039743","16.7521","0.0004","13.8339","0.0004","20.0849","0.0004","90","","90","","90","","4654.6","0.2","190","2","190.15","","","","","","","","","8","P c c a","-P 2a 2ac","54","","","","- C33 H28 Er0.5 F9 N6 O17 S3 Yb0.5 -","- C33 H28 Er0.5 F9 N6 O17 S3 Yb0.5 -","- C132 H112 Er2 F36 N24 O68 S12 Yb2 -","4","0.5","","Chong, Bowie S. K.; Moore, Evan G.","Structure and efficient luminescence upconversion of Ln(iii) aromatic N-oxide coordination polymers.","Dalton transactions (Cambridge, England : 2003)","2016","45","30","12200","12205","10.1039/c6dt01828a","","x-ray","0.71073","MoKα","","0.0599","0.0412","","","0.1013","0.1141","","","","","","1.037","","","","has coordinates,has disorder","185327","2020-10-21","18:00:00",""
"7039744","16.7519","0.0003","13.8277","0.0005","20.0855","0.0005","90","","90","","90","","4652.6","0.2","190","2","190.15","","","","","","","","","8","P c c a","-P 2a 2ac","54","","","","- C33 H28 Er0.2 F9 N6 O17 S3 Yb0.8 -","- C33 H28 Er0.2 F9 N6 O17 S3 Yb0.8 -","- C132 H112 Er0.8 F36 N24 O68 S12 Yb3.2 -","4","0.5","","Chong, Bowie S. K.; Moore, Evan G.","Structure and efficient luminescence upconversion of Ln(iii) aromatic N-oxide coordination polymers.","Dalton transactions (Cambridge, England : 2003)","2016","45","30","12200","12205","10.1039/c6dt01828a","","x-ray","0.71073","MoKα","","0.076","0.0483","","","0.1172","0.1334","","","","","","1.022","","","","has coordinates,has disorder","185327","2020-10-21","18:00:00",""
"7039745","16.731","0.0002","13.8411","0.0004","20.0979","0.0004","90","","90","","90","","4654.18","0.17","293","2","293","2","","","","","","","","8","P c c a","-P 2a 2ac","54","","","","- C33 H28 Er0.05 F9 N6 O17 S3 Yb0.95 -","- C33 H28 Er0.05 F9 N6 O17 S3 Yb0.95 -","- C132 H112 Er0.2 F36 N24 O68 S12 Yb3.8 -","4","0.5","","Chong, Bowie S. K.; Moore, Evan G.","Structure and efficient luminescence upconversion of Ln(iii) aromatic N-oxide coordination polymers.","Dalton transactions (Cambridge, England : 2003)","2016","45","30","12200","12205","10.1039/c6dt01828a","","x-ray","0.71073","MoKα","","0.0693","0.046","","","0.1101","0.1248","","","","","","1.052","","","","has coordinates,has disorder","185327","2020-10-21","18:00:00",""
"7039746","16.7217","0.0007","13.8732","0.0007","20.1258","0.0009","90","","90","","90","","4668.9","0.4","190","2","190.15","","","","","","","","","7","P c c a","-P 2a 2ac","54","","","","- C33 H28 F9 N6 O17 S3 Yb -","- C33 H28 F9 N6 O16.999 S3 Yb -","- C132 H112 F36 N24 O67.996 S12 Yb4 -","4","0.5","","Chong, Bowie S. K.; Moore, Evan G.","Structure and efficient luminescence upconversion of Ln(iii) aromatic N-oxide coordination polymers.","Dalton transactions (Cambridge, England : 2003)","2016","45","30","12200","12205","10.1039/c6dt01828a","","x-ray","0.71073","MoKα","","0.098","0.0566","","","0.1711","0.1831","","","","","","0.993","","","","has coordinates,has disorder","185327","2020-10-21","18:00:00",""
"7039747","12.5812","0.0005","21.1089","0.0009","20.1299","0.0009","90","","100.47","0.001","90","","5257","0.4","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","[(dppe)Mo(NNCy)(I)]","","- C61 H62 I Mo N2 P4 -","- C61 H62 I Mo N2 P4 -","- C244 H248 I4 Mo4 N8 P16 -","4","1","","Bezdek, Máté J; Chirik, Paul J.","Thermodynamics of N-H bond formation in bis(phosphine) molybdenum(ii) diazenides and the influence of the trans ligand.","Dalton transactions (Cambridge, England : 2003)","2016","45","40","15922","15930","10.1039/c6dt01932c","","","0.71073","MoKα","","0.0549","0.0374","","","0.0747","0.08","","","","","","1.057","","","","has coordinates","188222","2020-10-21","18:00:00",""
"7039748","16.2486","0.0008","16.4787","0.0007","20.267","0.0009","82.978","0.002","71.586","0.002","82.613","0.002","5086.8","0.4","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","[(dppe)(3,5-(CF3)2C6H3CN)Mo(NNCy)][BArF24]","","- C99 H74 B F30 Mo N3 P4 -","- C99 H74 B F30 Mo N3 P4 -","- C198 H148 B2 F60 Mo2 N6 P8 -","2","1","","Bezdek, Máté J; Chirik, Paul J.","Thermodynamics of N-H bond formation in bis(phosphine) molybdenum(ii) diazenides and the influence of the trans ligand.","Dalton transactions (Cambridge, England : 2003)","2016","45","40","15922","15930","10.1039/c6dt01932c","","","1.54178","CuKα","","0.0651","0.0552","","","0.1472","0.1578","","","","","","1.073","","","","has coordinates,has disorder","188222","2020-10-21","18:00:00",""
"7039749","18.6804","0.0004","22.5994","0.0005","24.3582","0.0005","113.099","0.001","101.116","0.001","90.874","0.001","9234.1","0.4","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","[(dppe)2(CH3CN)Mo(NNCy)][BArF24]","","- C98 H80 B F24 Mo N3 P4 -","- C98 H80 B F24 Mo N3 P4 -","- C392 H320 B4 F96 Mo4 N12 P16 -","4","2","","Bezdek, Máté J; Chirik, Paul J.","Thermodynamics of N-H bond formation in bis(phosphine) molybdenum(ii) diazenides and the influence of the trans ligand.","Dalton transactions (Cambridge, England : 2003)","2016","45","40","15922","15930","10.1039/c6dt01932c","","","1.54178","CuKα","","0.0573","0.0522","","","0.1406","0.1449","","","","","","1.061","","","","has coordinates,has disorder","188222","2020-10-21","18:00:00",""
"7039750","7.5774","0.001","9.8402","0.0014","11.585","0.0016","96.481","0.012","103.287","0.012","112.462","0.013","757.3","0.2","293","2","293","2","","","","","","","","4","P -1","-P 1","2","PPQZC","6-chloro-4-phenyl-2-(pyridin-2-yl)quinazoline","","- C19 H12 Cl N3 -","- C19 H12 Cl N3 -","- C38 H24 Cl2 N6 -","2","1","","Dwivedi, Nidhi; Panja, Sumit Kumar; Monika, ?; Saha, Satyen; Sunkari, Sailaja S.","Anion directed structural diversity in zinc complexes with conformationally flexible quinazoline ligand: structural, spectral and theoretical studies.","Dalton transactions (Cambridge, England : 2003)","2016","45","30","12053","12068","10.1039/c6dt02139e","","","0.71073","MoKα","","0.0645","0.0429","","","0.0969","0.1119","","","","","","1.056","","","","has coordinates","185321","2020-10-21","18:00:00",""
"7039751","22.8212","0.0015","8.316","0.0006","22.1236","0.0014","90","","96.43","0.006","90","","4172.2","0.5","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C42 H30 Cl2 N12 O4 Zn2 -","- C42 H30 Cl2 N12 O4 Zn2 -","- C168 H120 Cl8 N48 O16 Zn8 -","4","0.5","","Dwivedi, Nidhi; Panja, Sumit Kumar; Monika, ?; Saha, Satyen; Sunkari, Sailaja S.","Anion directed structural diversity in zinc complexes with conformationally flexible quinazoline ligand: structural, spectral and theoretical studies.","Dalton transactions (Cambridge, England : 2003)","2016","45","30","12053","12068","10.1039/c6dt02139e","","","0.71073","MoKα","","0.0963","0.0501","","","0.0913","0.111","","","","","","1.02","","","","has coordinates,has disorder","185321","2020-10-21","18:00:00",""
"7039752","10.283","0.005","7.886","0.005","22.684","0.005","90","","93.402","0.005","90","","1836.2","1.5","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C19 H12 Cl3 N3 Zn -","- C19 H12 Cl3 N3 Zn -","- C76 H48 Cl12 N12 Zn4 -","4","1","","Dwivedi, Nidhi; Panja, Sumit Kumar; Monika, ?; Saha, Satyen; Sunkari, Sailaja S.","Anion directed structural diversity in zinc complexes with conformationally flexible quinazoline ligand: structural, spectral and theoretical studies.","Dalton transactions (Cambridge, England : 2003)","2016","45","30","12053","12068","10.1039/c6dt02139e","","","0.71073","MoKα","","0.093","0.0529","","","0.1112","0.1352","","","","","","1.027","","","","has coordinates","185321","2020-10-21","18:00:00",""
"7039753","12.36","0.005","7.813","0.005","19.833","0.005","90","","96.586","0.005","90","","1902.6","1.5","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C38 H24 Cl2 N18 Zn2 -","- C38 H24 Cl2 N18 Zn2 -","- C76 H48 Cl4 N36 Zn4 -","2","0.5","","Dwivedi, Nidhi; Panja, Sumit Kumar; Monika, ?; Saha, Satyen; Sunkari, Sailaja S.","Anion directed structural diversity in zinc complexes with conformationally flexible quinazoline ligand: structural, spectral and theoretical studies.","Dalton transactions (Cambridge, England : 2003)","2016","45","30","12053","12068","10.1039/c6dt02139e","","","0.71073","MoKα","","0.0943","0.053","","","0.0967","0.1157","","","","","","1.016","","","","has coordinates","185321","2020-10-21","18:00:00",""
"7039754","8.935","0.005","11.989","0.005","17.442","0.005","90","","90","","90","","1868.4","1.4","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C19 H12 Cl3 N3 Zn -","- C19 H12 Cl3 N3 Zn -","- C76 H48 Cl12 N12 Zn4 -","4","1","","Dwivedi, Nidhi; Panja, Sumit Kumar; Monika, ?; Saha, Satyen; Sunkari, Sailaja S.","Anion directed structural diversity in zinc complexes with conformationally flexible quinazoline ligand: structural, spectral and theoretical studies.","Dalton transactions (Cambridge, England : 2003)","2016","45","30","12053","12068","10.1039/c6dt02139e","","","0.71073","MoKα","","0.088","0.0565","","","0.1068","0.1272","","","","","","1.035","","","","has coordinates","185321","2020-10-21","18:00:00",""
"7039755","9.8374","0.0002","17.9906","0.0007","17.3653","0.0005","90","","91.846","0.0018","90","","3071.73","0.16","295","","295","","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C25 H27 Br Cl N O8 Pd S -","- C25 H27 Br Cl N O8 Pd S -","- C100 H108 Br4 Cl4 N4 O32 Pd4 S4 -","4","1","","Scattolin, Thomas; Visentin, Fabiano; Santo, Claudio; Bertolasi, Valerio; Canovese, Luciano","The unexpected case of reactions of halogens and interhalogens with halide substituted Pd(ii) σ-butadienyl complexes.","Dalton transactions (Cambridge, England : 2003)","2016","45","28","11560","11567","10.1039/c6dt01964a","","","0.71073","MoKα","","0.0683","0.0387","","","0.0921","0.1017","","","","","","1.025","","","","has coordinates","185496","2020-10-21","18:00:00",""
"7039756","10.3764","0.0001","10.3764","0.0001","9.4017","0.0001","90","","90","","120","","876.658","0.015","100","2","100","2","","","","","","","","4","P -3 c 1","-P 3 2""c","165","","","","- H6 Mn5 O18 P6 -","- H6 Mn5 O18 P6 -","- H12 Mn10 O36 P12 -","2","0.166667","","Orive, Joseba; Fernández de Luis, Roberto; Fernández, Jesús Rodríguez; Lezama, Luis; Arriortua, María I","Ax(H3O)2-xMn5(HPO3)6 (A = Li, Na, K and NH4): open-framework manganese(ii) phosphites templated by mixed cationic species.","Dalton transactions (Cambridge, England : 2003)","2016","45","30","12188","12199","10.1039/c6dt01610c","","x-ray","0.71073","MoKα","","0.0508","0.0502","","","0.1235","0.1238","","","","","","1.156","","","","has coordinates","185324","2020-10-21","18:00:00",""
"7039757","12.919","0.005","13.561","0.006","14.982","0.006","107.158","0.009","93.703","0.008","90.818","0.006","2501.2","1.8","150","","150","","","","","","","","","6","P -1","-P 1","2","","","","- C47 H56 Cl F12 N7 O3 -","- C47 H56 Cl F12 N7 O3 -","- C94 H112 Cl2 F24 N14 O6 -","2","1","","Olivari, Martina; Montis, Riccardo; Berry, Stuart N.; Karagiannidis, Louise E.; Coles, Simon J.; Horton, Peter N.; Mapp, Lucy K.; Gale, Philip A.; Caltagirone, Claudia","Tris-ureas as transmembrane anion transporters.","Dalton transactions (Cambridge, England : 2003)","2016","45","29","11892","11897","10.1039/c6dt02046a","","x-ray","0.71075","MoKα","","0.151","0.0874","","","0.2085","0.2528","","","","","","1.009","","","","has coordinates,has disorder","185488","2020-10-21","18:00:00",""
"7039758","11.21","0.003","11.448","0.003","25.187","0.008","96.774","0.004","93.788","0.005","96.805","0.005","3176.6","1.6","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C61 H94 Cl2 F6 N8 O3 -","- C61 H94 Cl2 F6 N8 O3 -","- C122 H188 Cl4 F12 N16 O6 -","2","1","","Olivari, Martina; Montis, Riccardo; Berry, Stuart N.; Karagiannidis, Louise E.; Coles, Simon J.; Horton, Peter N.; Mapp, Lucy K.; Gale, Philip A.; Caltagirone, Claudia","Tris-ureas as transmembrane anion transporters.","Dalton transactions (Cambridge, England : 2003)","2016","45","29","11892","11897","10.1039/c6dt02046a","","x-ray","0.71075","MoKα","","0.1334","0.0779","","","0.1987","0.2332","","","","","","1.005","","","","has coordinates,has disorder","185488","2020-10-21","18:00:00",""
"7039759","14.0834","0.001","14.4242","0.001","15.5069","0.0011","110.124","0.003","90.77","0.003","114.879","0.003","2636.6","0.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C49 H59 F12 N7 O5 -","- C49 H59 F12 N7 O5 -","- C98 H118 F24 N14 O10 -","2","1","","Olivari, Martina; Montis, Riccardo; Berry, Stuart N.; Karagiannidis, Louise E.; Coles, Simon J.; Horton, Peter N.; Mapp, Lucy K.; Gale, Philip A.; Caltagirone, Claudia","Tris-ureas as transmembrane anion transporters.","Dalton transactions (Cambridge, England : 2003)","2016","45","29","11892","11897","10.1039/c6dt02046a","","x-ray","0.71075","MoKα","","0.0653","0.0447","","","0.1082","0.1174","","","","","","1.03","","","","has coordinates","185488","2020-10-21","18:00:00",""
"7039760","5.88015","0.00011","17.9392","0.0004","22.8765","0.0004","90","","94.534","0.0015","90","","2405.58","0.08","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C32 H26 Fe2 N2 -","- C32 H26 Fe2 N2 -","- C128 H104 Fe8 N8 -","4","1","","Senthilkumar, Kabali; Thirumoorthy, Krishnan; Dragonetti, Claudia; Marinotto, Daniele; Righetto, Stefania; Colombo, Alessia; Haukka, Matti; Palanisami, Nallasamy","Ferrocene-quinoxaline Y-shaped chromophores as fascinating second-order NLO building blocks for long lasting highly active SHG polymeric films.","Dalton transactions (Cambridge, England : 2003)","2016","45","30","11939","11943","10.1039/c6dt01590e","","","1.54184","CuKα","","0.0502","0.0469","","","0.1255","0.1292","","","","","","1.016","","","","has coordinates","185332","2020-10-21","18:00:00",""
"7039761","7.3587","0.0011","11.9124","0.0017","15.842","0.002","82.439","0.008","80.523","0.008","73.278","0.008","1306.6","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C33 H25 F3 Fe2 N2 -","- C33 H25 F3 Fe2 N2 -","- C66 H50 F6 Fe4 N4 -","2","1","","Senthilkumar, Kabali; Thirumoorthy, Krishnan; Dragonetti, Claudia; Marinotto, Daniele; Righetto, Stefania; Colombo, Alessia; Haukka, Matti; Palanisami, Nallasamy","Ferrocene-quinoxaline Y-shaped chromophores as fascinating second-order NLO building blocks for long lasting highly active SHG polymeric films.","Dalton transactions (Cambridge, England : 2003)","2016","45","30","11939","11943","10.1039/c6dt01590e","","","0.71073","MoKα","","0.1494","0.1099","","","0.2791","0.3022","","","","","","1.083","","","","has coordinates,has disorder","185332","2020-10-21","18:00:00",""
"7039762","10.2982","0.0007","14.525","0.001","14.9733","0.001","67.417","0.006","74.353","0.006","75.883","0.006","1966.4","0.3","180","2","180","2","","","","","","","synthesis as described","6","P -1","-P 1","2","","","","- C42.5 H47 Cl N2 O6 S2 -","- C42.5 H47 Cl N2 O6 S2 -","- C85 H94 Cl2 N4 O12 S4 -","2","1","","Fourmy, Kévin; El Louz, Mohamed; Mallet-Ladeira, Sonia; Daran, Jean-Claude; Dechy-Cabaret, Odile; Gouygou, Maryse","Platinum-catalysed intermolecular addition of carbonyl compounds to 1,6-enynes: investigation of a new reaction pathway.","Dalton transactions (Cambridge, England : 2003)","2016","45","34","13294","13299","10.1039/c6dt01725h","","x-ray","1.54184","CuKα","","0.0494","0.0436","","","0.1145","0.121","","","","","","1.04","","","","has coordinates,has disorder","186418","2020-10-21","18:00:00",""
"7039763","11.598","0.005","13.656","0.005","12.222","0.005","90","0.005","117.992","0.005","90","0.005","1709.3","1.2","181","2","180","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C14 H21 Cl2 N2 P Pd -","- C14 H21 Cl2 N2 P Pd -","- C56 H84 Cl8 N8 P4 Pd4 -","4","1","","Fourmy, Kévin; El Louz, Mohamed; Mallet-Ladeira, Sonia; Daran, Jean-Claude; Dechy-Cabaret, Odile; Gouygou, Maryse","Platinum-catalysed intermolecular addition of carbonyl compounds to 1,6-enynes: investigation of a new reaction pathway.","Dalton transactions (Cambridge, England : 2003)","2016","45","34","13294","13299","10.1039/c6dt01725h","","x-ray","0.71073","MoKα","","0.0287","0.0224","","","0.052","0.0549","","","","","","1.042","","","","has coordinates","186418","2020-10-21","18:00:00",""
"7039764","8.4602","0.0013","8.608","0.0015","17.623","0.003","101.163","0.006","95.668","0.005","112.647","0.005","1140.5","0.3","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C21 H21 Br Mn N5 O5 -","- C21 H21 Br Mn N5 O5 -","- C42 H42 Br2 Mn2 N10 O10 -","2","1","","Machan, Charles W.; Kubiak, Clifford P.","Interrogating heterobimetallic co-catalytic responses for the electrocatalytic reduction of CO2 using supramolecular assembly.","Dalton transactions (Cambridge, England : 2003)","2016","45","40","15942","15950","10.1039/c6dt01956k","","","0.71073","MoKα","","0.0558","0.0376","","","0.0784","0.0856","","","","","","1.0295","","","","has coordinates","188202","2020-10-21","18:00:00",""
"7039765","10.2165","0.0007","27.998","0.0019","11.4145","0.0007","90","","98.9264","0.0017","90","","3225.5","0.4","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2_NaNO2","","- C28 H39 N6 Na O12 -","- C28 H39 N6 Na O12 -","- C112 H156 N24 Na4 O48 -","4","1","","Ziach, K.; Karbarz, M.; Romański, J","Cooperative binding and extraction of sodium nitrite by a ditopic receptor incorporated into a polymeric resin.","Dalton transactions (Cambridge, England : 2003)","2016","45","29","11639","11643","10.1039/c6dt02235a","","","0.71073","MoKα","","0.0675","0.0424","","","0.0889","0.0994","","","","","","1.059","","","","has coordinates,has disorder","185480","2020-10-21","18:00:00",""
"7039766","10.2359","0.0005","27.7408","0.0015","11.1772","0.0006","90","","97.5158","0.0014","90","","3146.5","0.3","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","2_NaNCS","","- C28 H38 N5 Na O10 S -","- C28 H38 N5 Na O10 S -","- C112 H152 N20 Na4 O40 S4 -","4","1","","Ziach, K.; Karbarz, M.; Romański, J","Cooperative binding and extraction of sodium nitrite by a ditopic receptor incorporated into a polymeric resin.","Dalton transactions (Cambridge, England : 2003)","2016","45","29","11639","11643","10.1039/c6dt02235a","","","0.71073","MoKα","","0.0625","0.0447","","","0.1048","0.1136","","","","","","1.063","","","","has coordinates,has disorder","185480","2020-10-21","18:00:00",""
"7039767","16.878","0.002","11.5558","0.0014","20.13","0.003","90","","106.507","0.002","90","","3764.3","0.9","200","2","200","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C37 H60 Al O3 P -","- C37 H60 Al O3 P -","- C148 H240 Al4 O12 P4 -","4","1","","Chang, Yu-Ning; Lee, Pei-Ying; Zou, Xue-Ru; Huang, Han-Fan; Chen, Yi-Wei; Liang, Lan-Chang","Aluminum complexes containing biphenolate phosphine ligands: synthesis and living ring-opening polymerization catalysis.","Dalton transactions (Cambridge, England : 2003)","2016","45","40","15951","15962","10.1039/c6dt02143c","","","0.71073","MoKα","","0.0883","0.063","","","0.1652","0.1884","","","","","","0.956","","","","has coordinates,has disorder","188210","2020-10-21","18:00:00",""
"7039768","17.822","0.0004","17.822","0.0004","21.4837","0.0008","90","","90","","120","","5909.5","0.3","150","2","150","2","","","","","","","","5","P 32 2 1","P 32 2""","154","","","","- C78 H112 Al2 O6 P2 -","- C78 H112 Al2 O6 P2 -","- C234 H336 Al6 O18 P6 -","3","0.5","","Chang, Yu-Ning; Lee, Pei-Ying; Zou, Xue-Ru; Huang, Han-Fan; Chen, Yi-Wei; Liang, Lan-Chang","Aluminum complexes containing biphenolate phosphine ligands: synthesis and living ring-opening polymerization catalysis.","Dalton transactions (Cambridge, England : 2003)","2016","45","40","15951","15962","10.1039/c6dt02143c","","","0.71073","MoKα","","0.1166","0.0766","","","0.1943","0.2231","","","","","","1.007","","","","has coordinates","188210","2020-10-21","18:00:00",""
"7039769","20.2139","0.0005","17.4564","0.0006","23.2027","0.0006","90","","112.14","0.002","90","","7583.7","0.4","200","2","200","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C70 H84 Cl4 Co2 N10 O4 S8 -","- C70 H84 Cl4 Co2 N10 O4 S8 -","- C280 H336 Cl16 Co8 N40 O16 S32 -","4","1","","Fogeron, Thibault; Porcher, Jean-Philippe; Gomez-Mingot, Maria; Todorova, Tanya K.; Chamoreau, Lise-Marie; Mellot-Draznieks, Caroline; Li, Yun; Fontecave, Marc","A cobalt complex with a bioinspired molybdopterin-like ligand: a catalyst for hydrogen evolution.","Dalton transactions (Cambridge, England : 2003)","2016","45","37","14754","14763","10.1039/c6dt01824f","","","1.54178","CuKα","","0.1188","0.0664","","","0.1444","0.1636","","","","","","0.937","","","","has coordinates,has disorder","187140","2020-10-21","18:00:00",""
"7039770","19.971","0.002","40.861","0.006","13.081","0.002","90","","90","","90","","10675","3","291","1","291","1","","","","","","","","6","F d d 2","F 2 -2d","43","","","","- C52 H60 Cl2 Mn N8 O10 -","- C52 H60 Cl2 Mn N8 O10 -","- C416 H480 Cl16 Mn8 N64 O80 -","8","0.5","","Adhikary, Jaydeep; Chakraborty, Aratrika; Dasgupta, Sanchari; Chattopadhyay, Shyamal Kumar; Kruszynski, Rafał; Trzesowska-Kruszynska, Agata; Stepanović, Stepan; Gruden-Pavlović, Maja; Swart, Marcel; Das, Debasis","Unique mononuclear Mn(II) complexes of an end-off compartmental Schiff base ligand: experimental and theoretical studies on their bio-relevant catalytic promiscuity.","Dalton transactions (Cambridge, England : 2003)","2016","45","31","12409","12422","10.1039/c6dt00625f","","","0.71073","MoKα","","0.0467","0.0372","","","0.0918","0.0989","","","","","","1.03","","","","has coordinates","185463","2020-10-21","18:00:00",""
"7039771","10.4398","0.001","10.9965","0.001","13.7776","0.0018","80.04","0.017","79.204","0.012","72.49","0.009","1470.2","0.3","291","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C28 H30 Mn N6 O S2 -","- C28 H30 Mn N6 O S2 -","- C56 H60 Mn2 N12 O2 S4 -","2","1","","Adhikary, Jaydeep; Chakraborty, Aratrika; Dasgupta, Sanchari; Chattopadhyay, Shyamal Kumar; Kruszynski, Rafał; Trzesowska-Kruszynska, Agata; Stepanović, Stepan; Gruden-Pavlović, Maja; Swart, Marcel; Das, Debasis","Unique mononuclear Mn(II) complexes of an end-off compartmental Schiff base ligand: experimental and theoretical studies on their bio-relevant catalytic promiscuity.","Dalton transactions (Cambridge, England : 2003)","2016","45","31","12409","12422","10.1039/c6dt00625f","","","0.71073","MoKα","","0.1067","0.0672","","","0.1655","0.1946","","","","","","1.016","","","","has coordinates,has disorder","185463","2020-10-21","18:00:00",""
"7039772","9.8005","0.0005","12.841","0.0006","14.5139","0.0007","65.006","0.001","80.937","0.001","70.876","0.001","1563.74","0.13","291","1","291","1","","","","","","","","6","P -1","-P 1","2","","","","- C28 H34 Cl Mn N7 O7 -","- C28 H34 Cl Mn N7 O7 -","- C56 H68 Cl2 Mn2 N14 O14 -","2","1","","Adhikary, Jaydeep; Chakraborty, Aratrika; Dasgupta, Sanchari; Chattopadhyay, Shyamal Kumar; Kruszynski, Rafał; Trzesowska-Kruszynska, Agata; Stepanović, Stepan; Gruden-Pavlović, Maja; Swart, Marcel; Das, Debasis","Unique mononuclear Mn(II) complexes of an end-off compartmental Schiff base ligand: experimental and theoretical studies on their bio-relevant catalytic promiscuity.","Dalton transactions (Cambridge, England : 2003)","2016","45","31","12409","12422","10.1039/c6dt00625f","","","0.71073","MoKα","","0.0501","0.0378","","","0.1053","0.1151","","","","","","1.05","","","","has coordinates,has disorder","185463","2020-10-21","18:00:00",""
"7039773","12.132","0.005","18.353","0.005","14.104","0.005","90","","109.774","0.005","90","","2955.2","1.8","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","((4,6-bis(trifluoromethyl)-1,3-phenylene)bis(oxy))bis(di-tert-butylphosphine)","","- C24 H38 F6 O2 P2 -","- C24 H38 F6 O2 P2 -","- C96 H152 F24 O8 P8 -","4","1","","Kovalenko, Oleksandr O.; Wendt, Ola F.","An electron poor iridium pincer complex for catalytic alkane dehydrogenation.","Dalton transactions (Cambridge, England : 2003)","2016","45","40","15963","15969","10.1039/c6dt01816e","","","0.71073","MoKα","","0.1197","0.0649","","","0.1548","0.1841","","","","","","1.018","","","","has coordinates","188212","2020-10-21","18:00:00",""
"7039774","8.318","0.005","31.333","0.005","12.075","0.005","90","","109.444","0.005","90","","2968","2","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C24 H37 Cl F6 Ir O2 P2 -","- C24 H37 Cl F6 Ir O2 P2 -","- C96 H148 Cl4 F24 Ir4 O8 P8 -","4","1","","Kovalenko, Oleksandr O.; Wendt, Ola F.","An electron poor iridium pincer complex for catalytic alkane dehydrogenation.","Dalton transactions (Cambridge, England : 2003)","2016","45","40","15963","15969","10.1039/c6dt01816e","","","0.71073","MoKα","","0.0501","0.0374","","","0.0797","0.0867","","","","","","1.033","","","","has coordinates","188212","2020-10-21","18:00:00",""
"7039775","8.709","0.005","22.841","0.005","10.007","0.005","90","","92.394","0.005","90","","1988.9","1.6","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C38 H57 F6 Ir O2 P2 -","- C38 H57 F6 Ir O2 P2 -","- C76 H114 F12 Ir2 O4 P4 -","2","1","","Kovalenko, Oleksandr O.; Wendt, Ola F.","An electron poor iridium pincer complex for catalytic alkane dehydrogenation.","Dalton transactions (Cambridge, England : 2003)","2016","45","40","15963","15969","10.1039/c6dt01816e","","","0.71073","MoKα","","0.0872","0.055","","","0.0935","0.1082","","","","","","1.018","","","","has coordinates","188212","2020-10-21","18:00:00",""
"7039776","7.9673","0.0001","15.3786","0.0002","14.8875","0.0003","90","","98.12","0.002","90","","1805.82","0.05","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","(n2,n2-Cycloocta-1,5-diene)-chloro-(di-tert-butylphosphinous acid)-iridium","","- C16 H31 Cl Ir O P -","- C16 H31 Cl Ir O P -","- C64 H124 Cl4 Ir4 O4 P4 -","4","1","","Kovalenko, Oleksandr O.; Wendt, Ola F.","An electron poor iridium pincer complex for catalytic alkane dehydrogenation.","Dalton transactions (Cambridge, England : 2003)","2016","45","40","15963","15969","10.1039/c6dt01816e","","","0.71073","MoKα","","0.0538","0.0334","","","0.0589","0.0666","","","","","","1.054","","","","has coordinates","188212","2020-10-21","18:00:00",""
"7039777","9.273","0.0002","9.967","0.0002","13.784","0.0004","101.1","0.001","93.414","0.001","100.401","0.001","1223.71","0.05","148","2","148.15","","","","","","","","","8","P -1","-P 1","2","","","","- C52 H49 Cl2 F8 N4 O2 P Ru2 -","- C52 H48 Cl2 F8 N4 O2 P Ru2 -","- C52 H48 Cl2 F8 N4 O2 P Ru2 -","1","0.5","","Lord, Rianne M.; Allison, Simon J.; Rafferty, Karen; Ghandhi, Laura; Pask, Christopher M.; McGowan, Patrick C.","Cytotoxic hydrogen bridged ruthenium quinaldamide complexes showing induced cancer cell death by apoptosis.","Dalton transactions (Cambridge, England : 2003)","2016","45","33","13196","13203","10.1039/c6dt01464j","","","0.71073","MoKα","","0.0441","0.0351","","","0.0895","0.0953","","","","","","1.042","","","","has coordinates,has disorder","186422","2020-10-21","18:00:00",""
"7039778","9.416","0.0019","9.714","0.0019","14.631","0.003","73.68","0.03","85.08","0.03","74.22","0.03","1235.9","0.5","150","2","150.15","","","","","","","","","8","P -1","-P 1","2","","","","- C52 H49 Cl2 F8 N4 O2 P Ru2 -","- C52 H48 Cl2 F8 N4 O2 P Ru2 -","- C52 H48 Cl2 F8 N4 O2 P Ru2 -","1","0.5","","Lord, Rianne M.; Allison, Simon J.; Rafferty, Karen; Ghandhi, Laura; Pask, Christopher M.; McGowan, Patrick C.","Cytotoxic hydrogen bridged ruthenium quinaldamide complexes showing induced cancer cell death by apoptosis.","Dalton transactions (Cambridge, England : 2003)","2016","45","33","13196","13203","10.1039/c6dt01464j","","","0.71073","MoKα","","0.0463","0.0394","","","0.1008","0.1061","","","","","","1.033","","","","has coordinates","186422","2020-10-21","18:00:00",""
"7039779","9.425","0.0001","9.812","0.0002","14.623","0.0002","72.432","0.001","85.74","0.001","74.827","0.001","1244.28","0.03","148","2","148.15","","","","","","","","","8","P -1","-P 1","2","","","","- C52 H47 Cl2 F10 N4 O2 P Ru2 -","- C52 H46 Cl2 F10 N4 O2 P Ru2 -","- C52 H46 Cl2 F10 N4 O2 P Ru2 -","1","0.5","","Lord, Rianne M.; Allison, Simon J.; Rafferty, Karen; Ghandhi, Laura; Pask, Christopher M.; McGowan, Patrick C.","Cytotoxic hydrogen bridged ruthenium quinaldamide complexes showing induced cancer cell death by apoptosis.","Dalton transactions (Cambridge, England : 2003)","2016","45","33","13196","13203","10.1039/c6dt01464j","","","0.71073","MoKα","","0.0378","0.0316","","","0.0771","0.08","","","","","","1.045","","","","has coordinates","186422","2020-10-21","18:00:00",""
"7039780","31.309","0.003","10.0915","0.0009","18.4285","0.0016","90","","118.325","0.004","90","","5125.4","0.8","148","2","148.15","","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C52 H49 Br2 F8 N4 O2 P Ru2 -","- C52 H48 Br2 F8 N4 O2 P Ru2 -","- C208 H192 Br8 F32 N16 O8 P4 Ru8 -","4","0.5","","Lord, Rianne M.; Allison, Simon J.; Rafferty, Karen; Ghandhi, Laura; Pask, Christopher M.; McGowan, Patrick C.","Cytotoxic hydrogen bridged ruthenium quinaldamide complexes showing induced cancer cell death by apoptosis.","Dalton transactions (Cambridge, England : 2003)","2016","45","33","13196","13203","10.1039/c6dt01464j","","","0.71073","MoKα","","0.0525","0.0326","","","0.0638","0.0694","","","","","","1.011","","","","has coordinates","186422","2020-10-21","18:00:00",""
"7039781","9.4885","0.0004","9.828","0.0003","14.7862","0.0006","72.595","0.003","83.935","0.004","73.979","0.003","1264.22","0.09","148","2","148.15","","","","","","","","","8","P -1","-P 1","2","","","","- C52 H49 Br2 F8 N4 O2 P Ru2 -","- C52 H48 Br2 F8 N4 O2 P Ru2 -","- C52 H48 Br2 F8 N4 O2 P Ru2 -","1","0.5","","Lord, Rianne M.; Allison, Simon J.; Rafferty, Karen; Ghandhi, Laura; Pask, Christopher M.; McGowan, Patrick C.","Cytotoxic hydrogen bridged ruthenium quinaldamide complexes showing induced cancer cell death by apoptosis.","Dalton transactions (Cambridge, England : 2003)","2016","45","33","13196","13203","10.1039/c6dt01464j","","x-ray","0.71073","MoKα","","0.0514","0.0479","","","0.1297","0.1323","","","","","","1.098","","","","has coordinates","186422","2020-10-21","18:00:00",""
"7039782","9.694","0.0003","10.1017","0.0003","13.7167","0.0005","99.953","0.003","94.128","0.003","102.191","0.002","1284.93","0.07","148","2","148.15","","","","","","","","","8","P -1","-P 1","2","","","","- C52 H47 Br2 F10 N4 O2 P Ru2 -","- C52 H46 Br2 F10 N4 O2 P Ru2 -","- C52 H46 Br2 F10 N4 O2 P Ru2 -","1","0.5","","Lord, Rianne M.; Allison, Simon J.; Rafferty, Karen; Ghandhi, Laura; Pask, Christopher M.; McGowan, Patrick C.","Cytotoxic hydrogen bridged ruthenium quinaldamide complexes showing induced cancer cell death by apoptosis.","Dalton transactions (Cambridge, England : 2003)","2016","45","33","13196","13203","10.1039/c6dt01464j","","x-ray","0.71073","MoKα","","0.0659","0.059","","","0.1212","0.1259","","","","","","1.229","","","","has coordinates,has disorder","186422","2020-10-21","18:00:00",""
"7039783","37.742","0.007","10.4163","0.0019","21.203","0.003","90","","106.565","0.007","90","","7990","2","150","2","150","2","","","","","","","synthesis as described","7","C 1 2/c 1","-C 2yc","15","","","","- C39 H48 Al B0 F5 N2 O2 -","- C39 H48 Al F5 N2 O2 -","- C312 H384 Al8 F40 N16 O16 -","8","1","","Wang, Xingbao; Dorcet, Vincent; Luo, Yi; Carpentier, Jean-Francois; Kirillov, Evgueni","Synthesis and structure of the first discrete dinuclear cationic aluminum complexes.","Dalton transactions (Cambridge, England : 2003)","2016","45","31","12346","12351","10.1039/c6dt02360f","","x-ray","0.71073","MoKα","","0.2434","0.0793","","","0.1896","0.2481","","","","","","0.778","","","","has coordinates,has disorder","185454","2020-10-21","18:00:00",""
"7039784","21.0007","0.0015","19.4971","0.0014","19.4648","0.0017","90","","113.882","0.004","90","","7287.5","1","150","2","150","2","","","","","","","synthesis as described","8","P 1 21/c 1","-P 2ybc","14","","","","- C61 H45 Al B2 Cl4 F30 N2 O2 -","- C61 H45 Al B2 Cl4 F30 N2 O2 -","- C244 H180 Al4 B8 Cl16 F120 N8 O8 -","4","1","","Wang, Xingbao; Dorcet, Vincent; Luo, Yi; Carpentier, Jean-Francois; Kirillov, Evgueni","Synthesis and structure of the first discrete dinuclear cationic aluminum complexes.","Dalton transactions (Cambridge, England : 2003)","2016","45","31","12346","12351","10.1039/c6dt02360f","","x-ray","0.71073","MoKα","","0.2645","0.1298","","","0.3422","0.3981","","","","","","0.965","","","","has coordinates,has disorder","185454","2020-10-21","18:00:00",""
"7039785","20.8411","0.0002","22.3516","0.0002","24.0111","0.0002","90","","90","","90","","11185.1","0.17","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C88 H96 N28 Ni3 O24 W2 -","- C88 H74 N28 Ni3 O13 W2 -","- C352 H296 N112 Ni12 O52 W8 -","4","1","","Nowicka, Beata; Reczyński, Mateusz; Rams, Michał; Wasiutyński, Tadeusz; Nitek, Wojciech; Sieklucka, Barbara","Ligand dependent topology and spontaneous resolution in high-spin cyano-bridged Ni3W2 clusters.","Dalton transactions (Cambridge, England : 2003)","2016","45","31","12423","12431","10.1039/c6dt02119k","","x-ray","1.54184","CuKα","","0.0528","0.0399","","","0.0839","0.0898","","","","","","0.981","","","","has coordinates","185459","2020-10-21","18:00:00",""
"7039786","15.722","0.005","18.774","0.005","21.543","0.005","107.775","0.005","103.762","0.005","95.698","0.005","5779","3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C88 H64 N28 Ni3 O8 W2 -","- C88 H50 N28 Ni3 O8 W2 -","- C176 H100 N56 Ni6 O16 W4 -","2","1","","Nowicka, Beata; Reczyński, Mateusz; Rams, Michał; Wasiutyński, Tadeusz; Nitek, Wojciech; Sieklucka, Barbara","Ligand dependent topology and spontaneous resolution in high-spin cyano-bridged Ni3W2 clusters.","Dalton transactions (Cambridge, England : 2003)","2016","45","31","12423","12431","10.1039/c6dt02119k","","x-ray","1.54184","CuKα","","0.0502","0.038","","","0.1009","0.1095","","","","","","0.973","","","","has coordinates","185459","2020-10-21","18:00:00",""
"7039787","20.844","0.005","22.424","0.005","24.033","0.005","90","0.005","90","0.005","90","0.005","11233","4","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C88 H96 N28 Ni3 O24 W2 -","- C88 H74 N28 Ni3 O13 W2 -","- C352 H296 N112 Ni12 O52 W8 -","4","1","","Nowicka, Beata; Reczyński, Mateusz; Rams, Michał; Wasiutyński, Tadeusz; Nitek, Wojciech; Sieklucka, Barbara","Ligand dependent topology and spontaneous resolution in high-spin cyano-bridged Ni3W2 clusters.","Dalton transactions (Cambridge, England : 2003)","2016","45","31","12423","12431","10.1039/c6dt02119k","","","0.71069","MoKα","","0.0564","0.0392","","","0.0855","0.0927","","","","","","1.029","","","","has coordinates","185459","2020-10-21","18:00:00",""
"7039788","5.7946","0.0001","5.7946","0.0001","11.7876","0.0002","90","","90","","120","","342.77","0.01","298","","298","","","","","","","","","3","P -3 m 1","-P 3 2""","164","","Pentabarium Tetraniobium Oxide","","- Ba5 Nb4 O15 -","- Ba5 Nb4 O15 -","- Ba5 Nb4 O15 -","1","0.0833333","","Hojamberdiev, Mirabbos; Bekheet, Maged F.; Zahedi, Ehsan; Wagata, Hajime; Vequizo, Junie Jhon M.; Yamakata, Akira; Yubuta, Kunio; Gurlo, Aleksander; Domen, Kazunari; Teshima, Katsuya","The contrasting effect of the Ta/Nb ratio in (111)-layered B-site deficient hexagonal perovskite Ba5Nb4-xTaxO15 crystals on visible-light-induced photocatalytic water oxidation activity of their oxynitride derivatives.","Dalton transactions (Cambridge, England : 2003)","2016","45","31","12559","12568","10.1039/c6dt02095j","powder diffraction","x-ray","0.70926","MoKα~1~","","0.021","","","","","","","","","","","","","","","has coordinates","185460","2020-10-21","18:00:00",""
"7039789","5.79575","0.0001","5.79575","0.0001","11.7965","0.0002","90","","90","","120","","343.165","0.01","298","","298","","","","","","","","","4","P -3 m 1","-P 3 2""","164","","Pentabarium Tantalum Triniobium Oxide","","- Ba5 Nb3 O15 Ta -","- Ba5 Nb3 O15 Ta -","- Ba5 Nb3 O15 Ta -","1","0.0833333","","Hojamberdiev, Mirabbos; Bekheet, Maged F.; Zahedi, Ehsan; Wagata, Hajime; Vequizo, Junie Jhon M.; Yamakata, Akira; Yubuta, Kunio; Gurlo, Aleksander; Domen, Kazunari; Teshima, Katsuya","The contrasting effect of the Ta/Nb ratio in (111)-layered B-site deficient hexagonal perovskite Ba5Nb4-xTaxO15 crystals on visible-light-induced photocatalytic water oxidation activity of their oxynitride derivatives.","Dalton transactions (Cambridge, England : 2003)","2016","45","31","12559","12568","10.1039/c6dt02095j","powder diffraction","x-ray","0.70926","MoKα~1~","","0.025","","","","","","","","","","","","","","","has coordinates","185460","2020-10-21","18:00:00",""
"7039790","5.7947","0.0002","5.7947","0.0001","11.803","0.0002","90","","90","","120","","343.23","0.014","298","","298","","","","","","","","","4","P -3 m 1","-P 3 2""","164","","Pentabarium Diniobium Ditantalum Oxide","","- Ba5 Nb2 O15 Ta2 -","- Ba5 Nb2 O15 Ta2 -","- Ba5 Nb2 O15 Ta2 -","1","0.0833333","","Hojamberdiev, Mirabbos; Bekheet, Maged F.; Zahedi, Ehsan; Wagata, Hajime; Vequizo, Junie Jhon M.; Yamakata, Akira; Yubuta, Kunio; Gurlo, Aleksander; Domen, Kazunari; Teshima, Katsuya","The contrasting effect of the Ta/Nb ratio in (111)-layered B-site deficient hexagonal perovskite Ba5Nb4-xTaxO15 crystals on visible-light-induced photocatalytic water oxidation activity of their oxynitride derivatives.","Dalton transactions (Cambridge, England : 2003)","2016","45","31","12559","12568","10.1039/c6dt02095j","powder diffraction","x-ray","0.70926","MoKα~1~","","0.023","","","","","","","","","","","","","","","has coordinates","185460","2020-10-21","18:00:00",""
"7039791","5.79455","0.00006","5.79455","0.00006","11.8158","0.0001","90","","90","","120","","343.584","0.006","298","","298","","","","","","","","","4","P -3 m 1","-P 3 2""","164","","Pentabarium Niobium Tritantalum Oxide","","- Ba5 Nb O15 Ta3 -","- Ba5 Nb O15 Ta3 -","- Ba5 Nb O15 Ta3 -","1","0.0833333","","Hojamberdiev, Mirabbos; Bekheet, Maged F.; Zahedi, Ehsan; Wagata, Hajime; Vequizo, Junie Jhon M.; Yamakata, Akira; Yubuta, Kunio; Gurlo, Aleksander; Domen, Kazunari; Teshima, Katsuya","The contrasting effect of the Ta/Nb ratio in (111)-layered B-site deficient hexagonal perovskite Ba5Nb4-xTaxO15 crystals on visible-light-induced photocatalytic water oxidation activity of their oxynitride derivatives.","Dalton transactions (Cambridge, England : 2003)","2016","45","31","12559","12568","10.1039/c6dt02095j","powder diffraction","x-ray","0.70926","MoKα~1~","","0.024","","","","","","","","","","","","","","","has coordinates","185460","2020-10-21","18:00:00",""
"7039792","5.7892","0.0001","5.7892","0.0001","11.8202","0.0002","90","","90","","120","","343.078","0.01","298","","298","","","","","","","","","3","P -3 m 1","-P 3 2""","164","","Pentabarium Tetratantalum Oxide","","- Ba5 O15 Ta4 -","- Ba5 O15 Ta4 -","- Ba5 O15 Ta4 -","1","0.0833333","","Hojamberdiev, Mirabbos; Bekheet, Maged F.; Zahedi, Ehsan; Wagata, Hajime; Vequizo, Junie Jhon M.; Yamakata, Akira; Yubuta, Kunio; Gurlo, Aleksander; Domen, Kazunari; Teshima, Katsuya","The contrasting effect of the Ta/Nb ratio in (111)-layered B-site deficient hexagonal perovskite Ba5Nb4-xTaxO15 crystals on visible-light-induced photocatalytic water oxidation activity of their oxynitride derivatives.","Dalton transactions (Cambridge, England : 2003)","2016","45","31","12559","12568","10.1039/c6dt02095j","powder diffraction","x-ray","0.70926","MoKα~1~","","0.027","","","","","","","","","","","","","","","has coordinates","185460","2020-10-21","18:00:00",""
"7039793","6.0928","0.0013","8.8375","0.0019","12.646","0.003","89.795","0.002","84.279","0.002","71.621","0.002","642.7","0.2","150.15","","150.15","","","","","","","","","5","P -1","-P 1","2","","","","- C13 H12 N2 O S2 -","- C13 H12 N2 O S2 -","- C26 H24 N4 O2 S4 -","2","1","","Jeyalakshmi, Kumaramangalam; Haribabu, Jebiti; Bhuvanesh, Nattamai S. P.; Karvembu, Ramasamy","Half-sandwich RuCl2(η(6)-p-cymene) core complexes containing sulfur donor aroylthiourea ligands: DNA and protein binding, DNA cleavage and cytotoxic studies.","Dalton transactions (Cambridge, England : 2003)","2016","45","31","12518","12531","10.1039/c6dt01167e","","","0.71073","MoKα","","0.0353","0.0334","","","0.0863","0.0873","","","","","","1.066","","","","has coordinates","185465","2020-10-21","18:00:00",""
"7039794","10.611","0.003","12.309","0.004","18.406","0.006","90","","100.816","0.003","90","","2361.3","1.3","110.15","","110.15","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C22 H24 Cl2 N2 O Ru S2 -","- C22 H24 Cl2 N2 O Ru S2 -","- C88 H96 Cl8 N8 O4 Ru4 S8 -","4","1","","Jeyalakshmi, Kumaramangalam; Haribabu, Jebiti; Bhuvanesh, Nattamai S. P.; Karvembu, Ramasamy","Half-sandwich RuCl2(η(6)-p-cymene) core complexes containing sulfur donor aroylthiourea ligands: DNA and protein binding, DNA cleavage and cytotoxic studies.","Dalton transactions (Cambridge, England : 2003)","2016","45","31","12518","12531","10.1039/c6dt01167e","","","0.71073","MoKα","","0.0328","0.0277","","","0.0612","0.0631","","","","","","1.072","","","","has coordinates","185465","2020-10-21","18:00:00",""
"7039795","9.3715","0.0014","11.0452","0.0016","12.0454","0.0017","76.093","0.001","80.968","0.001","83.262","0.001","1191.1","0.3","110.15","","110.15","","","","","","","","","7","P -1","-P 1","2","","","","- C23 H26 Cl2 N2 O Ru S2 -","- C23 H26 Cl2 N2 O Ru S2 -","- C46 H52 Cl4 N4 O2 Ru2 S4 -","2","1","","Jeyalakshmi, Kumaramangalam; Haribabu, Jebiti; Bhuvanesh, Nattamai S. P.; Karvembu, Ramasamy","Half-sandwich RuCl2(η(6)-p-cymene) core complexes containing sulfur donor aroylthiourea ligands: DNA and protein binding, DNA cleavage and cytotoxic studies.","Dalton transactions (Cambridge, England : 2003)","2016","45","31","12518","12531","10.1039/c6dt01167e","","","0.71073","MoKα","","0.0248","0.023","","","0.0554","0.0562","","","","","","1.122","","","","has coordinates","185465","2020-10-21","18:00:00",""
"7039796","10.628","0.002","20.991","0.004","12.334","0.002","90","","107.72","0.002","90","","2621.1","0.8","150.15","","150.15","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C26 H26 Cl2 N2 O Ru S2 -","- C26 H26 Cl2 N2 O Ru S2 -","- C104 H104 Cl8 N8 O4 Ru4 S8 -","4","1","","Jeyalakshmi, Kumaramangalam; Haribabu, Jebiti; Bhuvanesh, Nattamai S. P.; Karvembu, Ramasamy","Half-sandwich RuCl2(η(6)-p-cymene) core complexes containing sulfur donor aroylthiourea ligands: DNA and protein binding, DNA cleavage and cytotoxic studies.","Dalton transactions (Cambridge, England : 2003)","2016","45","31","12518","12531","10.1039/c6dt01167e","","","0.71073","MoKα","","0.0372","0.0336","","","0.0748","0.0765","","","","","","1.106","","","","has coordinates","185465","2020-10-21","18:00:00",""
"7039797","14.808","0.003","5.92","0.0013","16.679","0.004","90","","103.112","0.003","90","","1424","0.5","150.15","","150.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H12 N2 O S2 -","- C16 H12 N2 O S2 -","- C64 H48 N8 O4 S8 -","4","1","","Jeyalakshmi, Kumaramangalam; Haribabu, Jebiti; Bhuvanesh, Nattamai S. P.; Karvembu, Ramasamy","Half-sandwich RuCl2(η(6)-p-cymene) core complexes containing sulfur donor aroylthiourea ligands: DNA and protein binding, DNA cleavage and cytotoxic studies.","Dalton transactions (Cambridge, England : 2003)","2016","45","31","12518","12531","10.1039/c6dt01167e","","","0.71073","MoKα","","0.0497","0.0445","","","0.1189","0.1264","","","","","","1.059","","","","has coordinates,has disorder","185465","2020-10-21","18:00:00",""
"7039798","9.669","0.002","4.7975","0.0012","25.794","0.006","90","","98.061","0.002","90","","1184.7","0.5","110.15","","110.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C12 H10 N2 O S2 -","- C12 H10 N2 O S2 -","- C48 H40 N8 O4 S8 -","4","1","","Jeyalakshmi, Kumaramangalam; Haribabu, Jebiti; Bhuvanesh, Nattamai S. P.; Karvembu, Ramasamy","Half-sandwich RuCl2(η(6)-p-cymene) core complexes containing sulfur donor aroylthiourea ligands: DNA and protein binding, DNA cleavage and cytotoxic studies.","Dalton transactions (Cambridge, England : 2003)","2016","45","31","12518","12531","10.1039/c6dt01167e","","","0.71073","MoKα","","0.0417","0.0362","","","0.0821","0.0846","","","","","","1.13","","","","has coordinates","185465","2020-10-21","18:00:00",""
"7039799","10.035","0.002","10.272","0.002","12.006","0.002","79.528","0.002","80.344","0.002","85.73","0.002","1198.5","0.4","110.15","","110.15","","","","","","","","","7","P -1","-P 1","2","","","","- C23 H26 Cl2 N2 O Ru S2 -","- C23 H26 Cl2 N2 O Ru S2 -","- C46 H52 Cl4 N4 O2 Ru2 S4 -","2","1","","Jeyalakshmi, Kumaramangalam; Haribabu, Jebiti; Bhuvanesh, Nattamai S. P.; Karvembu, Ramasamy","Half-sandwich RuCl2(η(6)-p-cymene) core complexes containing sulfur donor aroylthiourea ligands: DNA and protein binding, DNA cleavage and cytotoxic studies.","Dalton transactions (Cambridge, England : 2003)","2016","45","31","12518","12531","10.1039/c6dt01167e","","","0.71073","MoKα","","0.0323","0.029","","","0.0742","0.0769","","","","","","1.042","","","","has coordinates","185465","2020-10-21","18:00:00",""
"7039800","10.816","0.0005","13.4759","0.0006","14.5272","0.0006","62.813","0.001","89.808","0.002","84.357","0.002","1872.29","0.14","171","2","171","2","","","","","","","","8","P -1","-P 1","2","","","","- C36 H25 Cl2 F6 N8 O Os P -","- C36 H25 Cl2 F6 N8 O Os P -","- C72 H50 Cl4 F12 N16 O2 Os2 P2 -","2","1","","Li, Yong-Hui; Liu, Xiao-Le; Yu, Zhen-Tao; Li, Zhao-Sheng; Yan, Shi-Cheng; Chen, Guang-Hui; Zou, Zhi-Gang","Osmium(ii) complexes for light-driven aerobic oxidation of amines to imines.","Dalton transactions (Cambridge, England : 2003)","2016","45","31","12400","12408","10.1039/c6dt02331b","","","0.71073","MoKα","","0.0451","0.0317","","","0.0628","0.0669","","","","","","1.023","","","","has coordinates","185466","2020-10-21","18:00:00",""
"7039801","11.3688","0.0008","11.6384","0.0008","13.3026","0.0009","68.593","0.002","69.189","0.002","84.135","0.002","1531.02","0.19","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C22 H13 F6 N9 O Os -","- C22 H13 F6 N9 O Os -","- C44 H26 F12 N18 O2 Os2 -","2","1","","Li, Yong-Hui; Liu, Xiao-Le; Yu, Zhen-Tao; Li, Zhao-Sheng; Yan, Shi-Cheng; Chen, Guang-Hui; Zou, Zhi-Gang","Osmium(ii) complexes for light-driven aerobic oxidation of amines to imines.","Dalton transactions (Cambridge, England : 2003)","2016","45","31","12400","12408","10.1039/c6dt02331b","","","0.71073","MoKα","","0.0639","0.04","","","0.0825","0.0877","","","","","","1.017","","","","has coordinates,has disorder","185466","2020-10-21","18:00:00",""
"7039802","12.8439","0.0017","9.3329","0.0013","14.231","0.002","90","","115.225","0.002","90","","1543.2","0.4","296","2","296.15","","","","","","","","","6","P 1 2/c 1","-P 2yc","13","","","","- C20 H21 Co5 N8 O19.5 S2 -","- C20 H18 Co5 N8 O19.5 S2 -","- C40 H36 Co10 N16 O39 S4 -","2","0.5","","Zhang, Chao; Liu, Zhong-Yi; Liu, Ning; Zhao, Hong; Yang, En-Cui; Zhao, Xiao-Jun","Different magnetic responses observed in Co, Co and Co-based MOFs.","Dalton transactions (Cambridge, England : 2003)","2016","45","29","11864","11875","10.1039/c6dt01587e","","","0.71073","MoKα","","0.0498","0.0333","","","0.0789","0.0846","","","","","","1.01","","","","has coordinates,has disorder","185489","2020-10-21","18:00:00",""
"7039803","12.8726","0.0008","9.2286","0.0006","14.0554","0.0008","90","","116.119","0.001","90","","1499.22","0.16","173","2","173.15","","","","","","","","","6","P 1 2/c 1","-P 2yc","13","","","","- C20 H18.6 Co5 N6 O19.3 S2 -","- C20 H18 Co5 N6 O19.3 S2 -","- C40 H36 Co10 N12 O38.6 S4 -","2","0.5","","Zhang, Chao; Liu, Zhong-Yi; Liu, Ning; Zhao, Hong; Yang, En-Cui; Zhao, Xiao-Jun","Different magnetic responses observed in Co, Co and Co-based MOFs.","Dalton transactions (Cambridge, England : 2003)","2016","45","29","11864","11875","10.1039/c6dt01587e","","","0.71073","MoKα","","0.0325","0.0275","","","0.0626","0.0651","","","","","","1.036","","","","has coordinates,has disorder","185489","2020-10-21","18:00:00",""
"7039804","9.481","0.003","15.126","0.005","15.232","0.005","64.815","0.005","78.717","0.005","78.977","0.004","1924.2","1.1","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C22.5 H34 Co5 N6 O24.5 S2 -","- C20 H24 Co5 N6 O22 S2 -","- C40 H48 Co10 N12 O44 S4 -","2","1","","Zhang, Chao; Liu, Zhong-Yi; Liu, Ning; Zhao, Hong; Yang, En-Cui; Zhao, Xiao-Jun","Different magnetic responses observed in Co, Co and Co-based MOFs.","Dalton transactions (Cambridge, England : 2003)","2016","45","29","11864","11875","10.1039/c6dt01587e","","","0.71073","MoKα","","0.0965","0.0788","","","0.1799","0.186","","","","","","1.118","","","","has coordinates","185489","2020-10-21","18:00:00",""
"7039805","7.6363","0.0011","14.629","0.002","15.64","0.002","90","","104.057","0.002","90","","1694.8","0.4","296","2","296.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C20 H30 Co3 N10 O21 S2 -","- C20 H27 Co3 N10 O21 S2 -","- C40 H54 Co6 N20 O42 S4 -","2","0.5","","Zhang, Chao; Liu, Zhong-Yi; Liu, Ning; Zhao, Hong; Yang, En-Cui; Zhao, Xiao-Jun","Different magnetic responses observed in Co, Co and Co-based MOFs.","Dalton transactions (Cambridge, England : 2003)","2016","45","29","11864","11875","10.1039/c6dt01587e","","","0.71073","MoKα","","0.0377","0.0328","","","0.0995","0.1039","","","","","","1.068","","","","has coordinates,has disorder","185489","2020-10-21","18:00:00",""
"7039806","11.299","0.001","11.487","0.001","13.711","0.002","83.501","0.009","65.75","0.01","73.38","0.009","1554.7","0.3","120","","120","","","","","","","","","5","P -1","-P 1","2","","","","- C27 H31.8 N4 O15.4 P3 -","- C27 H23.001 N4 O15.402 P3.001 -","- C54 H46.002 N8 O30.804 P6.002 -","2","1","","Quiñone, D; Veiga, N.; Torres, J.; Castiglioni, J.; Bazzicalupi, C.; Bianchi, A.; Kremer, C.","Synthesis, solid-state characterization and solution studies of new phytate compounds with Cu(ii) and 1,10-phenanthroline: progress in the structural elucidation of phytate coordinating ability.","Dalton transactions (Cambridge, England : 2003)","2016","45","30","12156","12166","10.1039/c6dt01460g","","","1.5418","CuKα","","0.1415","0.0758","","","0.1719","0.2063","","","","","","1.073","","","","has coordinates,has disorder","185331","2020-10-21","18:00:00",""
"7039807","12.964","0.001","15.316","0.001","15.8016","0.0008","65.84","0.006","87.478","0.005","71.397","0.005","2699.5","0.3","150","","150","","","","","","","","","6","P 1","P 1","1","","","","- C72 H85 Cu5 N10 O57.5 P12 -","- C72 H52 Cu5 N10 O57.5 P12 -","- C72 H52 Cu5 N10 O57.5 P12 -","1","1","","Quiñone, D; Veiga, N.; Torres, J.; Castiglioni, J.; Bazzicalupi, C.; Bianchi, A.; Kremer, C.","Synthesis, solid-state characterization and solution studies of new phytate compounds with Cu(ii) and 1,10-phenanthroline: progress in the structural elucidation of phytate coordinating ability.","Dalton transactions (Cambridge, England : 2003)","2016","45","30","12156","12166","10.1039/c6dt01460g","","","1.5418","CuKα","","0.1913","0.1215","","","0.2915","0.3673","","","","","","1.207","","","","has coordinates","185331","2020-10-21","18:00:00",""
"7039808","8.8216","0.0018","10.705","0.002","36.624","0.007","90","","90","","90","","3458.6","1.2","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C38 H30 Cd N6 O7 -","- C38 H30 Cd N6 O7 -","- C152 H120 Cd4 N24 O28 -","4","1","","Liu, Lei-Lei; Yu, Cai-Xia; Du, Ji-Min; Liu, Shi-Min; Cao, Jing-Shuai; Ma, Lu-Fang","Construction of five Zn(ii)/Cd(ii) coordination polymers derived from a new linear carboxylate/pyridyl ligand: design, synthesis, and photocatalytic properties.","Dalton transactions (Cambridge, England : 2003)","2016","45","31","12352","12361","10.1039/c6dt02312f","","","0.71073","MoKα","","0.0918","0.0493","","","0.0815","0.0956","","","","","","1.001","","","","has coordinates,has disorder","185471","2020-10-21","18:00:00",""
"7039809","46.985","0.009","7.8054","0.0016","44.66","0.02","90","","128.23","0.017","90","","12866","7","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C76 H56 Cd2 N12 O12 -","- C76 H56 Cd2 N12 O12 -","- C608 H448 Cd16 N96 O96 -","8","1","","Liu, Lei-Lei; Yu, Cai-Xia; Du, Ji-Min; Liu, Shi-Min; Cao, Jing-Shuai; Ma, Lu-Fang","Construction of five Zn(ii)/Cd(ii) coordination polymers derived from a new linear carboxylate/pyridyl ligand: design, synthesis, and photocatalytic properties.","Dalton transactions (Cambridge, England : 2003)","2016","45","31","12352","12361","10.1039/c6dt02312f","","","0.71073","MoKα","","0.1034","0.057","","","0.1298","0.15","","","","","","1.015","","","","has coordinates","185471","2020-10-21","18:00:00",""
"7039810","7.5244","0.0015","34.353","0.007","6.3569","0.0013","90","","90","","90","","1643.2","0.6","296","2","296","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C38 H30 N6 O7 Zn -","- C38 H30 N6 O7 Zn -","- C76 H60 N12 O14 Zn2 -","2","0.5","","Liu, Lei-Lei; Yu, Cai-Xia; Du, Ji-Min; Liu, Shi-Min; Cao, Jing-Shuai; Ma, Lu-Fang","Construction of five Zn(ii)/Cd(ii) coordination polymers derived from a new linear carboxylate/pyridyl ligand: design, synthesis, and photocatalytic properties.","Dalton transactions (Cambridge, England : 2003)","2016","45","31","12352","12361","10.1039/c6dt02312f","","","0.71073","MoKα","","0.068","0.0461","","","0.1117","0.1216","","","","","","1.06","","","","has coordinates","185471","2020-10-21","18:00:00",""
"7039811","17.396","0.004","18.376","0.004","10.149","0.002","90","","98.65","0.03","90","","3207.4","1.2","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C70 H54 N10 O15 Zn2 -","- C70 H54 N10 O15 Zn2 -","- C140 H108 N20 O30 Zn4 -","2","0.5","","Liu, Lei-Lei; Yu, Cai-Xia; Du, Ji-Min; Liu, Shi-Min; Cao, Jing-Shuai; Ma, Lu-Fang","Construction of five Zn(ii)/Cd(ii) coordination polymers derived from a new linear carboxylate/pyridyl ligand: design, synthesis, and photocatalytic properties.","Dalton transactions (Cambridge, England : 2003)","2016","45","31","12352","12361","10.1039/c6dt02312f","","","0.71073","MoKα","","0.0974","0.0538","","","0.128","0.1424","","","","","","1.055","","","","has coordinates","185471","2020-10-21","18:00:00",""
"7039812","41.016","0.008","7.7837","0.0016","33.699","0.007","90","","115.95","0.03","90","","9674","4","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C114 H84 Cd3 N18 O18 -","- C114 H84 Cd3 N18 O18 -","- C456 H336 Cd12 N72 O72 -","4","0.5","","Liu, Lei-Lei; Yu, Cai-Xia; Du, Ji-Min; Liu, Shi-Min; Cao, Jing-Shuai; Ma, Lu-Fang","Construction of five Zn(ii)/Cd(ii) coordination polymers derived from a new linear carboxylate/pyridyl ligand: design, synthesis, and photocatalytic properties.","Dalton transactions (Cambridge, England : 2003)","2016","45","31","12352","12361","10.1039/c6dt02312f","","","0.71073","MoKα","","0.0406","0.0301","","","0.0737","0.0796","","","","","","1.022","","","","has coordinates","185471","2020-10-21","18:00:00",""
"7039813","9.895","0.0007","12.374","0.0009","14.722","0.001","67.879","0.001","88.118","0.001","77.808","0.001","1630.1","0.2","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C10 H22 Cr Cu2 Mo6 N4 O30 -","- C10 H17 Cr Cu2 Mo6 N4 O30 -","- C20 H34 Cr2 Cu4 Mo12 N8 O60 -","2","1","","Wang, Xiuli; Sun, Junjun; Lin, Hongyan; Chang, Zhihan; Wang, Xiang; Liu, Guocheng","A series of Anderson-type polyoxometalate-based metal-organic complexes: their pH-dependent electrochemical behaviour, and as electrocatalysts and photocatalysts.","Dalton transactions (Cambridge, England : 2003)","2016","45","31","12465","12478","10.1039/c6dt02216b","","","0.71069","MoKα","","0.0572","0.0389","","","0.1234","0.1399","","","","","","0.991","","","","has coordinates","185452","2020-10-21","18:00:00",""
"7039814","7.779","0.0013","10.249","0.0018","14.418","0.002","99.444","0.004","97.04","0.003","109.631","0.003","1048.3","0.3","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C7 H17 Cu Mo4 N2 O19 -","- C7 H17 Cu Mo4 N2 O19 -","- C14 H34 Cu2 Mo8 N4 O38 -","2","1","","Wang, Xiuli; Sun, Junjun; Lin, Hongyan; Chang, Zhihan; Wang, Xiang; Liu, Guocheng","A series of Anderson-type polyoxometalate-based metal-organic complexes: their pH-dependent electrochemical behaviour, and as electrocatalysts and photocatalysts.","Dalton transactions (Cambridge, England : 2003)","2016","45","31","12465","12478","10.1039/c6dt02216b","","","0.71069","MoKα","","0.0753","0.0495","","","0.1151","0.1285","","","","","","0.995","","","","has coordinates","185452","2020-10-21","18:00:00",""
"7039815","8.702","0.0005","11.625","0.0007","13.729","0.0009","73.65","0.001","82.113","0.001","83.94","0.001","1316.79","0.14","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C28 H50 Cu2 Mo6 N8 O38 Te -","- C28 H50 Cu2 Mo6 N8 O38 Te -","- C28 H50 Cu2 Mo6 N8 O38 Te -","1","0.5","","Wang, Xiuli; Sun, Junjun; Lin, Hongyan; Chang, Zhihan; Wang, Xiang; Liu, Guocheng","A series of Anderson-type polyoxometalate-based metal-organic complexes: their pH-dependent electrochemical behaviour, and as electrocatalysts and photocatalysts.","Dalton transactions (Cambridge, England : 2003)","2016","45","31","12465","12478","10.1039/c6dt02216b","","","0.71069","MoKα","","0.045","0.0303","","","0.0648","0.0711","","","","","","0.998","","","","has coordinates","185452","2020-10-21","18:00:00",""
"7039816","8.822","0.0005","12.075","0.0007","13.63","0.0008","96.148","0.001","108.472","0.001","96.09","0.001","1354.04","0.14","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C30 H46 Cu Mo8 N8 O36 -","- C30 H46 Cu Mo8 N8 O36 -","- C30 H46 Cu Mo8 N8 O36 -","1","0.5","","Wang, Xiuli; Sun, Junjun; Lin, Hongyan; Chang, Zhihan; Wang, Xiang; Liu, Guocheng","A series of Anderson-type polyoxometalate-based metal-organic complexes: their pH-dependent electrochemical behaviour, and as electrocatalysts and photocatalysts.","Dalton transactions (Cambridge, England : 2003)","2016","45","31","12465","12478","10.1039/c6dt02216b","","","0.71069","MoKα","","0.0338","0.0271","","","0.067","0.072","","","","","","1.001","","","","has coordinates","185452","2020-10-21","18:00:00",""
"7039817","8.432","0.0007","12.954","0.0012","15.023","0.0014","102.275","0.002","104.021","0.002","97.42","0.002","1527.1","0.2","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C32 H60 Cu3 Mo6 N8 O40 Te -","- C32 H60 Cu3 Mo6 N8 O40 Te -","- C32 H60 Cu3 Mo6 N8 O40 Te -","1","0.5","","Wang, Xiuli; Sun, Junjun; Lin, Hongyan; Chang, Zhihan; Wang, Xiang; Liu, Guocheng","A series of Anderson-type polyoxometalate-based metal-organic complexes: their pH-dependent electrochemical behaviour, and as electrocatalysts and photocatalysts.","Dalton transactions (Cambridge, England : 2003)","2016","45","31","12465","12478","10.1039/c6dt02216b","","","0.71069","MoKα","","0.0366","0.0308","","","0.0868","0.0898","","","","","","1.004","","","","has coordinates","185452","2020-10-21","18:00:00",""
"7039818","8.462","0.0009","11.736","0.0013","15.334","0.0017","81.355","0.002","82.362","0.002","83.746","0.002","1486","0.3","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C32 H58 Cu2 Mo6 N8 O38 Te -","- C32 H58 Cu2 Mo6 N8 O38 Te -","- C32 H58 Cu2 Mo6 N8 O38 Te -","1","0.5","","Wang, Xiuli; Sun, Junjun; Lin, Hongyan; Chang, Zhihan; Wang, Xiang; Liu, Guocheng","A series of Anderson-type polyoxometalate-based metal-organic complexes: their pH-dependent electrochemical behaviour, and as electrocatalysts and photocatalysts.","Dalton transactions (Cambridge, England : 2003)","2016","45","31","12465","12478","10.1039/c6dt02216b","","","0.71069","MoKα","","0.0566","0.0401","","","0.1097","0.1217","","","","","","0.993","","","","has coordinates","185452","2020-10-21","18:00:00",""
"7039819","9.4465","0.0005","11.4498","0.0006","12.0173","0.0006","79.031","0.001","69.53","0.001","80.404","0.001","1188.37","0.11","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C18 H40 Cu4 Mo8 N4 O39 -","- C18 H38 Cu4 Mo8 N4 O39 -","- C18 H38 Cu4 Mo8 N4 O39 -","1","0.5","","Wang, Xiuli; Sun, Junjun; Lin, Hongyan; Chang, Zhihan; Wang, Xiang; Liu, Guocheng","A series of Anderson-type polyoxometalate-based metal-organic complexes: their pH-dependent electrochemical behaviour, and as electrocatalysts and photocatalysts.","Dalton transactions (Cambridge, England : 2003)","2016","45","31","12465","12478","10.1039/c6dt02216b","","","0.71073","MoKα","","0.0309","0.0251","","","0.0614","0.0636","","","","","","0.971","","","","has coordinates","185452","2020-10-21","18:00:00",""
"7039820","22.232","0.009","17.933","0.007","6.225","0.002","90","","90","","90","","2481.8","1.6","293","2","293","2","","","","","","","","4","A m a 2","A 2 -2a","40","","","","- Ga6 Pb5 S15 Zn -","- Ga6 Pb5 S15 Zn -","- Ga24 Pb20 S60 Zn4 -","4","0.5","","Duan, Rui-Huan; Yu, Ju-Song; Lin, Hua; Zheng, Yu-Jun; Zhao, Hua-Jun; Huang-Fu, Shang-Xiong; Khan, Muhammad Ali; Chen, Ling; Wu, Li-Ming","Pb5Ga6ZnS15: a noncentrosymmetric framework with chains of T2-supertetrahedra.","Dalton transactions (Cambridge, England : 2003)","2016","45","31","12288","12291","10.1039/c6dt02404a","","","0.71073","MoKα","","0.0583","0.0483","","","0.1002","0.1184","","","","","","0.722","","","","has coordinates","185462","2020-10-21","18:00:00",""
"7039821","8.1485","0.0006","14.5332","0.0012","15.436","0.0013","90","","90","","90","","1828","0.3","103","2","103","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C16 H22 Br2 N4 O2 -","- C16 H22 Br2 N4 O2 -","- C64 H88 Br8 N16 O8 -","4","1","","Wedlock, Louise E.; Barnard, Peter J.; Filipovska, Aleksandra; Skelton, Brian W.; Berners-Price, Susan J; Baker, Murray V.","Dinuclear Au(i) N-heterocyclic carbene complexes derived from unsymmetrical azolium cyclophane salts: potential probes for live cell imaging applications.","Dalton transactions (Cambridge, England : 2003)","2016","45","30","12221","12236","10.1039/c6dt01409g","","","0.48595","synchrotron","","0.0329","0.0281","","","0.0618","0.0635","","","","","","1.028","","","","has coordinates","185328","2020-10-21","18:00:00",""
"7039822","9.2891","0.0014","11.4501","0.0017","11.666","0.002","104.754","0.002","111.067","0.002","92.096","0.002","1108.4","0.3","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H28 Br2 N4 O2 -","- C20 H28 Br2 N4 O2 -","- C40 H56 Br4 N8 O4 -","2","1","","Wedlock, Louise E.; Barnard, Peter J.; Filipovska, Aleksandra; Skelton, Brian W.; Berners-Price, Susan J; Baker, Murray V.","Dinuclear Au(i) N-heterocyclic carbene complexes derived from unsymmetrical azolium cyclophane salts: potential probes for live cell imaging applications.","Dalton transactions (Cambridge, England : 2003)","2016","45","30","12221","12236","10.1039/c6dt01409g","","","0.71073","MoKα","","0.0678","0.0413","","","0.0876","0.0968","","","","","","1.056","","","","has coordinates,has disorder","185328","2020-10-21","18:00:00",""
"7039823","9.104","0.0004","12.7208","0.0006","15.834","0.001","90","","101.216","0.005","90","","1798.72","0.17","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H22 Br2 N4 -","- C18 H22 Br2 N4 -","- C72 H88 Br8 N16 -","4","1","","Wedlock, Louise E.; Barnard, Peter J.; Filipovska, Aleksandra; Skelton, Brian W.; Berners-Price, Susan J; Baker, Murray V.","Dinuclear Au(i) N-heterocyclic carbene complexes derived from unsymmetrical azolium cyclophane salts: potential probes for live cell imaging applications.","Dalton transactions (Cambridge, England : 2003)","2016","45","30","12221","12236","10.1039/c6dt01409g","","","0.71073","MoKα","","0.0439","0.0307","","","0.0808","0.0837","","","","","","1.012","","","","has coordinates","185328","2020-10-21","18:00:00",""
"7039824","9.578","0.002","22.0948","0.0017","13.56","0.002","90","","90.175","0.017","90","","2869.6","0.8","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C27 H30 Br2 N4 O -","- C27 H29 Br2 N4 O -","- C108 H116 Br8 N16 O4 -","4","1","","Wedlock, Louise E.; Barnard, Peter J.; Filipovska, Aleksandra; Skelton, Brian W.; Berners-Price, Susan J; Baker, Murray V.","Dinuclear Au(i) N-heterocyclic carbene complexes derived from unsymmetrical azolium cyclophane salts: potential probes for live cell imaging applications.","Dalton transactions (Cambridge, England : 2003)","2016","45","30","12221","12236","10.1039/c6dt01409g","","","0.71073","MoKα","","0.1052","0.0804","","","0.228","0.2403","","","","","","1.051","","","","has coordinates,has disorder","185328","2020-10-21","18:00:00",""
"7039825","12.6464","0.001","13.5603","0.001","13.6869","0.001","90","","97.14","0.009","90","","2329","0.3","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C26 H26 Br2 N4 -","- C26 H26 Br2 N4 -","- C104 H104 Br8 N16 -","4","1","","Wedlock, Louise E.; Barnard, Peter J.; Filipovska, Aleksandra; Skelton, Brian W.; Berners-Price, Susan J; Baker, Murray V.","Dinuclear Au(i) N-heterocyclic carbene complexes derived from unsymmetrical azolium cyclophane salts: potential probes for live cell imaging applications.","Dalton transactions (Cambridge, England : 2003)","2016","45","30","12221","12236","10.1039/c6dt01409g","","","0.71073","MoKα","","0.0813","0.0506","","","0.145","0.1562","","","","","","0.983","","","","has coordinates,has disorder","185328","2020-10-21","18:00:00",""
"7039826","14.5133","0.0005","7.1167","0.0002","19.1502","0.0005","90","","90","","90","","1977.96","0.1","100","2","100","2","","","","","","","","7","P m c 21","P 2c -2","26","","","","- C36 H46 Au2 Br Cl N8 O3 -","- C36 H40 Au2 Br Cl N8 O3 -","- C72 H80 Au4 Br2 Cl2 N16 O6 -","2","0.5","","Wedlock, Louise E.; Barnard, Peter J.; Filipovska, Aleksandra; Skelton, Brian W.; Berners-Price, Susan J; Baker, Murray V.","Dinuclear Au(i) N-heterocyclic carbene complexes derived from unsymmetrical azolium cyclophane salts: potential probes for live cell imaging applications.","Dalton transactions (Cambridge, England : 2003)","2016","45","30","12221","12236","10.1039/c6dt01409g","","","0.71073","MoKα","","0.0975","0.0603","","","0.1367","0.1462","","","","","","1.008","","","","has coordinates,has disorder","185328","2020-10-21","18:00:00",""
"7039827","8.1215","0.0005","11.403","0.001","11.959","0.003","84.26","0.01","82.03","0.01","78.157","0.007","1070.5","0.3","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C40 H60 Au2 Br0.75 Cl1.25 N8 O6 -","- C40 H60 Au2 Br0.7528 Cl1.2472 N8 O6 -","- C40 H60 Au2 Br0.7528 Cl1.2472 N8 O6 -","1","0.5","","Wedlock, Louise E.; Barnard, Peter J.; Filipovska, Aleksandra; Skelton, Brian W.; Berners-Price, Susan J; Baker, Murray V.","Dinuclear Au(i) N-heterocyclic carbene complexes derived from unsymmetrical azolium cyclophane salts: potential probes for live cell imaging applications.","Dalton transactions (Cambridge, England : 2003)","2016","45","30","12221","12236","10.1039/c6dt01409g","","","0.71073","MoKα","","0.032","0.0227","","","0.0403","0.0416","","","","","","1.017","","","","has coordinates","185328","2020-10-21","18:00:00",""
"7039828","12.9166","0.0003","14.7735","0.0003","15.8256","0.0003","114.049","0.002","95.802","0.002","109.275","0.002","2504.04","0.12","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C52 H58 Au2 Br2 N8 O5 -","- C52 H52 Au2 Br2 N8 O5 -","- C104 H104 Au4 Br4 N16 O10 -","2","1","","Wedlock, Louise E.; Barnard, Peter J.; Filipovska, Aleksandra; Skelton, Brian W.; Berners-Price, Susan J; Baker, Murray V.","Dinuclear Au(i) N-heterocyclic carbene complexes derived from unsymmetrical azolium cyclophane salts: potential probes for live cell imaging applications.","Dalton transactions (Cambridge, England : 2003)","2016","45","30","12221","12236","10.1039/c6dt01409g","","","0.71073","MoKα","","0.0528","0.0278","","","0.0519","0.0536","","","","","","0.906","","","","has coordinates,has disorder","185328","2020-10-21","18:00:00",""
"7039829","16.5234","0.0002","17.3329","0.0002","33.2686","0.0003","90","","90","","90","","9528.08","0.18","100","2","100","2","","","","","","","","6","C 2 2 21","C 2c 2","20","","","","- C54 H56 Au2 Br2 N8 O2 -","- C54 H54 Au2 Br2 N8 O2 -","- C432 H432 Au16 Br16 N64 O16 -","8","1","","Wedlock, Louise E.; Barnard, Peter J.; Filipovska, Aleksandra; Skelton, Brian W.; Berners-Price, Susan J; Baker, Murray V.","Dinuclear Au(i) N-heterocyclic carbene complexes derived from unsymmetrical azolium cyclophane salts: potential probes for live cell imaging applications.","Dalton transactions (Cambridge, England : 2003)","2016","45","30","12221","12236","10.1039/c6dt01409g","","","0.71073","MoKα","","0.0583","0.0316","","","0.0524","0.0576","","","","","","0.846","","","","has coordinates,has disorder","185328","2020-10-21","18:00:00",""
"7039830","12.6255","0.0003","27.8969","0.0007","15.7022","0.0004","90","","107.297","0.003","90","","5280.4","0.2","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C55 H60 Au2 Br2 N8 O3 -","- C55 H60 Au2 Br2.005 N8 O3 -","- C220 H240 Au8 Br8.02 N32 O12 -","4","1","","Wedlock, Louise E.; Barnard, Peter J.; Filipovska, Aleksandra; Skelton, Brian W.; Berners-Price, Susan J; Baker, Murray V.","Dinuclear Au(i) N-heterocyclic carbene complexes derived from unsymmetrical azolium cyclophane salts: potential probes for live cell imaging applications.","Dalton transactions (Cambridge, England : 2003)","2016","45","30","12221","12236","10.1039/c6dt01409g","","","0.71073","MoKα","","0.1504","0.0954","","","0.1958","0.2095","","","","","","1.223","","","","has coordinates,has disorder","185328","2020-10-21","18:00:00",""
"7039831","24.5582","0.001","12.1677","0.0007","16.0892","0.0007","90","","98.942","0.004","90","","4749.3","0.4","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C54 H56 N4 O6 -","- C54 H56 N4 O6 -","- C216 H224 N16 O24 -","4","0.5","","Yang, Wenxue; Zhao, Ke-Qing; Prior, Timothy J.; Hughes, David L.; Arbaoui, Abdessamad; Elsegood, Mark R. J.; Redshaw, Carl","Structural studies of Schiff-base [2 + 2] macrocycles derived from 2,2'-oxydianiline and the ROP capability of their organoaluminium complexes.","Dalton transactions (Cambridge, England : 2003)","2016","45","30","11990","12005","10.1039/c6dt01997h","","","0.71073","MoKα","","0.0697","0.0473","","","0.1205","0.1329","","","","","","1.049","","","","has coordinates,has disorder","185330","2020-10-21","18:00:00",""
"7039832","15.1737","0.0005","15.3473","0.0006","19.218","0.0007","98.169","0.003","109.862","0.003","91.656","0.003","4152.1","0.3","140","1","140","1","","","","","","","","4","P -1","-P 1","2","","","","- C50 H47 N5 O4 -","- C50.325 H44 N5 O4 -","- C201.3 H176 N20 O16 -","4","2","","Yang, Wenxue; Zhao, Ke-Qing; Prior, Timothy J.; Hughes, David L.; Arbaoui, Abdessamad; Elsegood, Mark R. J.; Redshaw, Carl","Structural studies of Schiff-base [2 + 2] macrocycles derived from 2,2'-oxydianiline and the ROP capability of their organoaluminium complexes.","Dalton transactions (Cambridge, England : 2003)","2016","45","30","11990","12005","10.1039/c6dt01997h","","","0.71073","Mo-Kα","","0.1205","0.0429","","","0.0714","0.0831","","","","","","0.789","","","","has coordinates","185330","2020-10-21","18:00:00",""
"7039833","13.201","0.003","13.348","0.003","14.966","0.003","90","","94.913","0.003","90","","2627.4","1","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C62 H56 N4 O8 S2 -","- C62 H56 N4 O8 S2 -","- C124 H112 N8 O16 S4 -","2","0.5","","Yang, Wenxue; Zhao, Ke-Qing; Prior, Timothy J.; Hughes, David L.; Arbaoui, Abdessamad; Elsegood, Mark R. J.; Redshaw, Carl","Structural studies of Schiff-base [2 + 2] macrocycles derived from 2,2'-oxydianiline and the ROP capability of their organoaluminium complexes.","Dalton transactions (Cambridge, England : 2003)","2016","45","30","11990","12005","10.1039/c6dt01997h","","","0.71073","MoKα","","0.0922","0.0513","","","0.1466","0.1629","","","","","","1.07","","","","has coordinates,has disorder","185330","2020-10-21","18:00:00",""
"7039834","11.0841","0.0006","12.2117","0.0006","13.8841","0.0007","86.13","0.001","74.978","0.001","89.636","0.001","1810.81","0.16","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C44 H35 N5 O4 -","- C44 H35 N5 O4 -","- C88 H70 N10 O8 -","2","1","","Yang, Wenxue; Zhao, Ke-Qing; Prior, Timothy J.; Hughes, David L.; Arbaoui, Abdessamad; Elsegood, Mark R. J.; Redshaw, Carl","Structural studies of Schiff-base [2 + 2] macrocycles derived from 2,2'-oxydianiline and the ROP capability of their organoaluminium complexes.","Dalton transactions (Cambridge, England : 2003)","2016","45","30","11990","12005","10.1039/c6dt01997h","","","0.71073","MoKα","","0.0593","0.0496","","","0.1324","0.1407","","","","","","1.024","","","","has coordinates","185330","2020-10-21","18:00:00",""
"7039835","24.8335","0.001","11.2046","0.0004","15.9714","0.0011","90","","101.497","0.006","90","","4354.9","0.4","119.98","0.18","119.98","0.18","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C52 H52 N4 O6 -","- C52 H52 N4 O6 -","- C208 H208 N16 O24 -","4","0.5","","Yang, Wenxue; Zhao, Ke-Qing; Prior, Timothy J.; Hughes, David L.; Arbaoui, Abdessamad; Elsegood, Mark R. J.; Redshaw, Carl","Structural studies of Schiff-base [2 + 2] macrocycles derived from 2,2'-oxydianiline and the ROP capability of their organoaluminium complexes.","Dalton transactions (Cambridge, England : 2003)","2016","45","30","11990","12005","10.1039/c6dt01997h","","x-ray","0.71073","MoKα","","0.0766","0.0493","","","0.1184","0.1301","","","","","","1.058","","","","has coordinates","185330","2020-10-21","18:00:00",""
"7039836","24.9034","0.0015","11.5371","0.0006","16.9261","0.0012","90","","96.003","0.006","90","","4836.4","0.5","120","0.16","120","0.16","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C56 H60 N4 O8 -","- C57.1 H60 N4 O8 -","- C228.4 H240 N16 O32 -","4","0.5","","Yang, Wenxue; Zhao, Ke-Qing; Prior, Timothy J.; Hughes, David L.; Arbaoui, Abdessamad; Elsegood, Mark R. J.; Redshaw, Carl","Structural studies of Schiff-base [2 + 2] macrocycles derived from 2,2'-oxydianiline and the ROP capability of their organoaluminium complexes.","Dalton transactions (Cambridge, England : 2003)","2016","45","30","11990","12005","10.1039/c6dt01997h","","x-ray","0.71073","MoKα","","0.1245","0.117","","","0.2513","0.2534","","","","","","1.222","","","","has coordinates,has disorder","185330","2020-10-21","18:00:00",""
"7039837","13.8127","0.0005","16.806","0.0006","22.5196","0.0009","90","","105.428","0.004","90","","5039.2","0.3","130.01","0.1","130.01","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C62 H60 N4 O4 -","- C62 H60 N4 O4 -","- C248 H240 N16 O16 -","4","1","","Yang, Wenxue; Zhao, Ke-Qing; Prior, Timothy J.; Hughes, David L.; Arbaoui, Abdessamad; Elsegood, Mark R. J.; Redshaw, Carl","Structural studies of Schiff-base [2 + 2] macrocycles derived from 2,2'-oxydianiline and the ROP capability of their organoaluminium complexes.","Dalton transactions (Cambridge, England : 2003)","2016","45","30","11990","12005","10.1039/c6dt01997h","","x-ray","0.71073","MoKα","","0.093","0.0592","","","0.1394","0.1545","","","","","","1.048","","","","has coordinates,has disorder","185330","2020-10-21","18:00:00",""
"7039838","9.7916","0.0005","11.2215","0.0004","11.784","0.0006","84.624","0.004","66.196","0.005","84.347","0.004","1176.81","0.11","143","2","143","2","","","","","","","","5","P -1","-P 1","2","","","","- C54 H58 Al2 N4 O2 -","- C54 H58 Al2 N4 O2 -","- C54 H58 Al2 N4 O2 -","1","0.5","","Yang, Wenxue; Zhao, Ke-Qing; Prior, Timothy J.; Hughes, David L.; Arbaoui, Abdessamad; Elsegood, Mark R. J.; Redshaw, Carl","Structural studies of Schiff-base [2 + 2] macrocycles derived from 2,2'-oxydianiline and the ROP capability of their organoaluminium complexes.","Dalton transactions (Cambridge, England : 2003)","2016","45","30","11990","12005","10.1039/c6dt01997h","","","0.71073","MoKα","","0.0742","0.047","","","0.1154","0.1271","","","","","","1.031","","","","has coordinates","185330","2020-10-21","18:00:00",""
"7039839","13.164","0.0003","31.864","0.0005","36.2145","0.0005","113.294","0.001","94.715","0.002","95.712","0.002","13759.6","0.5","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C132.5 H171.75 Al8 N8 O8 -","- C132.25 H171 Al8 N8 O8 -","- C529 H684 Al32 N32 O32 -","4","2","","Yang, Wenxue; Zhao, Ke-Qing; Prior, Timothy J.; Hughes, David L.; Arbaoui, Abdessamad; Elsegood, Mark R. J.; Redshaw, Carl","Structural studies of Schiff-base [2 + 2] macrocycles derived from 2,2'-oxydianiline and the ROP capability of their organoaluminium complexes.","Dalton transactions (Cambridge, England : 2003)","2016","45","30","11990","12005","10.1039/c6dt01997h","","","0.71073","MoKα","","0.1199","0.0847","","","0.2302","0.2548","","","","","","1.029","","","","has coordinates,has disorder","185330","2020-10-21","18:00:00",""
"7039840","13.8593","0.001","14.7463","0.001","23.7238","0.0017","95.508","0.007","101.879","0.007","109.459","0.007","4401.9","0.6","143","2","143","2","","","","","","","","6","P -1","-P 1","2","","","","- C108 H81 Al Cl4 N8 O8 -","- C108 H81 Al Cl4 N8 O8 -","- C216 H162 Al2 Cl8 N16 O16 -","2","1","","Yang, Wenxue; Zhao, Ke-Qing; Prior, Timothy J.; Hughes, David L.; Arbaoui, Abdessamad; Elsegood, Mark R. J.; Redshaw, Carl","Structural studies of Schiff-base [2 + 2] macrocycles derived from 2,2'-oxydianiline and the ROP capability of their organoaluminium complexes.","Dalton transactions (Cambridge, England : 2003)","2016","45","30","11990","12005","10.1039/c6dt01997h","","","0.71073","MoKα","","0.1338","0.0955","","","0.2427","0.2738","","","","","","1.028","","","","has coordinates,has disorder","185330","2020-10-21","18:00:00",""
"7039841","15.2938","0.0019","15.671","0.002","25.086","0.003","93.9493","0.0017","97.1008","0.0016","112.575","0.0016","5464.5","1.2","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C59.5 H66.75 Al2 N6.25 O2 -","- C59.5 H66.75 Al2 N6.25 O2 -","- C238 H267 Al8 N25 O8 -","4","2","","Yang, Wenxue; Zhao, Ke-Qing; Prior, Timothy J.; Hughes, David L.; Arbaoui, Abdessamad; Elsegood, Mark R. J.; Redshaw, Carl","Structural studies of Schiff-base [2 + 2] macrocycles derived from 2,2'-oxydianiline and the ROP capability of their organoaluminium complexes.","Dalton transactions (Cambridge, England : 2003)","2016","45","30","11990","12005","10.1039/c6dt01997h","","","0.6884","synchrotron","","0.1346","0.0824","","","0.227","0.2627","","","","","","1.03","","","","has coordinates,has disorder","185330","2020-10-21","18:00:00",""
"7039842","16.2328","0.0002","27.3761","0.0003","23.7006","0.0003","90","","107.952","0.0006","90","","10019.5","0.2","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C114 H116 Al N13 O4 -","- C106 H104 Al N9 O4 -","- C424 H416 Al4 N36 O16 -","4","1","","Yang, Wenxue; Zhao, Ke-Qing; Prior, Timothy J.; Hughes, David L.; Arbaoui, Abdessamad; Elsegood, Mark R. J.; Redshaw, Carl","Structural studies of Schiff-base [2 + 2] macrocycles derived from 2,2'-oxydianiline and the ROP capability of their organoaluminium complexes.","Dalton transactions (Cambridge, England : 2003)","2016","45","30","11990","12005","10.1039/c6dt01997h","","","0.71073","MoKα","","0.1022","0.0661","","","0.1373","0.153","","","","","","1.025","","","","has coordinates","185330","2020-10-21","18:00:00",""
"7039843","12.1273","0.0009","21.3275","0.0013","15.5941","0.0011","90","","101.076","0.002","90","","3958.2","0.5","98","2","98","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C44.8 H38.8 Au2 Cl2.4 O P2 -","- C44.8 H38.8 Au2 Cl2.4 O P2 -","- C179.2 H155.2 Au8 Cl9.6 O4 P8 -","4","1","","Jobbágy, Csaba; Baranyai, Péter; Szabó, Pál; Holczbauer, Tamás; Rácz, Barbara; Li, Liang; Naumov, Panče; Deák, Andrea","Unexpected formation of a fused double cycle trinuclear gold(i) complex supported by ortho-phenyl metallated aryl-diphosphine ligands and strong aurophilic interactions.","Dalton transactions (Cambridge, England : 2003)","2016","45","31","12569","12575","10.1039/c6dt01528j","","","0.71075","MoKα","","0.0555","0.0483","","","0.108","0.1135","","","","","","1.082","","","","has coordinates,has disorder","185453","2020-10-21","18:00:00",""
"7039844","12.6109","0.0018","15.351","0.002","22.69","0.003","90.421","0.003","97.725","0.003","103.65","0.003","4226.3","1","103","2","103","2","","","","","","","","6","P -1","-P 1","2","","","","- C163 H133.06 Au4.94 N2 O11.06 P8 -","- C163 H133.06 Au4.94 N2 O11.06 P8 -","- C163 H133.06 Au4.94 N2 O11.06 P8 -","1","0.5","","Jobbágy, Csaba; Baranyai, Péter; Szabó, Pál; Holczbauer, Tamás; Rácz, Barbara; Li, Liang; Naumov, Panče; Deák, Andrea","Unexpected formation of a fused double cycle trinuclear gold(i) complex supported by ortho-phenyl metallated aryl-diphosphine ligands and strong aurophilic interactions.","Dalton transactions (Cambridge, England : 2003)","2016","45","31","12569","12575","10.1039/c6dt01528j","","","0.71075","MoKα","","0.1152","0.0679","","","0.1446","0.1644","","","","","","0.862","","","","has coordinates,has disorder","185453","2020-10-21","18:00:00",""
"7039845","25.078","0.005","25.503","0.005","11.489","0.002","90","","90","","90","","7348","2","180.15","","180.15","","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C84 H78 Er N17 O -","- C84 H78 Er N17 O -","- C336 H312 Er4 N68 O4 -","4","1","","Bonizzoni, C.; Ghirri, A.; Bader, K.; van Slageren, J.; Perfetti, M.; Sorace, L.; Lan, Y.; Fuhr, O.; Ruben, M.; Affronte, M.","Coupling molecular spin centers to microwave planar resonators: towards integration of molecular qubits in quantum circuits.","Dalton transactions (Cambridge, England : 2003)","2016","45","42","16596","16603","10.1039/c6dt01953f","","x-ray","0.71073","MoKα","","0.1069","0.0577","","","0.0859","0.0977","","","","","","0.892","","","","has coordinates,has disorder","188228","2020-10-21","18:00:00",""
"7039846","12.1515","0.0006","12.9367","0.0007","4.1966","0.0002","90","","90","","90","","659.71","0.06","296","2","296","2","","","","","","","","4","P b a m","-P 2 2ab","55","barium lanthanum indium selenide (1/2/2/7)","barium lanthanum indium selenide (1/2/2/7)","","- Ba In2 La2 Se7 -","- Ba In2 La2 Se7 -","- Ba2 In4 La4 Se14 -","2","0.25","","Yin, Wenlong; Iyer, Abishek K.; Lin, Xinsong; Li, Chao; Yao, Jiyong; Mar, Arthur","Quaternary chalcogenides BaRE2In2Ch7 (RE = La-Nd; Ch = S, Se) containing InCh5 trigonal bipyramids.","Dalton transactions (Cambridge, England : 2003)","2016","45","31","12329","12337","10.1039/c6dt02385a","","","0.71073","MoKα","","0.0354","0.0279","","","0.0569","0.0597","","","","","","1.144","","","","has coordinates","185456","2020-10-21","18:00:00",""
"7039847","11.5895","0.0007","12.3001","0.0008","4.0028","0.0002","90","","90","","90","","570.61","0.06","296","2","296","2","","","","","","","","4","P b a m","-P 2 2ab","55","barium neodymium indium sulfide (1/2/2/7)","barium neodymium indium sulfide (1/2/2/7)","","- Ba In2 Nd2 S7 -","- Ba In2 Nd2 S7 -","- Ba2 In4 Nd4 S14 -","2","0.25","","Yin, Wenlong; Iyer, Abishek K.; Lin, Xinsong; Li, Chao; Yao, Jiyong; Mar, Arthur","Quaternary chalcogenides BaRE2In2Ch7 (RE = La-Nd; Ch = S, Se) containing InCh5 trigonal bipyramids.","Dalton transactions (Cambridge, England : 2003)","2016","45","31","12329","12337","10.1039/c6dt02385a","","","0.71073","MoKα","","0.0339","0.0276","","","0.0598","0.0621","","","","","","1.186","","","","has coordinates","185456","2020-10-21","18:00:00",""
"7039848","12.1364","0.0007","12.8927","0.0008","4.1741","0.0003","90","","90","","90","","653.13","0.07","296","2","296","2","","","","","","","","4","P b a m","-P 2 2ab","55","barium cerium indium selenide (1/2/2/7)","barium cerium indium selenide (1/2/2/7)","","- Ba Ce2 In2 Se7 -","- Ba Ce2 In2 Se7 -","- Ba2 Ce4 In4 Se14 -","2","0.25","","Yin, Wenlong; Iyer, Abishek K.; Lin, Xinsong; Li, Chao; Yao, Jiyong; Mar, Arthur","Quaternary chalcogenides BaRE2In2Ch7 (RE = La-Nd; Ch = S, Se) containing InCh5 trigonal bipyramids.","Dalton transactions (Cambridge, England : 2003)","2016","45","31","12329","12337","10.1039/c6dt02385a","","","0.71073","MoKα","","0.0357","0.0274","","","0.0562","0.059","","","","","","1.148","","","","has coordinates","185456","2020-10-21","18:00:00",""
"7039849","12.1358","0.001","12.851","0.0011","4.1363","0.0004","90","","90","","90","","645.09","0.1","296","2","296","2","","","","","","","","4","P b a m","-P 2 2ab","55","barium neodymium indium selenide (1/2/2/7)","barium neodymium indium selenide (1/2/2/7)","","- Ba In2 Nd2 Se7 -","- Ba In2 Nd2 Se7 -","- Ba2 In4 Nd4 Se14 -","2","0.25","","Yin, Wenlong; Iyer, Abishek K.; Lin, Xinsong; Li, Chao; Yao, Jiyong; Mar, Arthur","Quaternary chalcogenides BaRE2In2Ch7 (RE = La-Nd; Ch = S, Se) containing InCh5 trigonal bipyramids.","Dalton transactions (Cambridge, England : 2003)","2016","45","31","12329","12337","10.1039/c6dt02385a","","","0.71073","MoKα","","0.0604","0.0386","","","0.0767","0.0854","","","","","","1.119","","","","has coordinates","185456","2020-10-21","18:00:00",""
"7039850","11.5947","0.0007","12.3439","0.0008","4.0413","0.0003","90","","90","","90","","578.41","0.07","296","2","296","2","","","","","","","","4","P b a m","-P 2 2ab","55","barium cerium indium sulfide (1/2/2/7)","barium cerium indium sulfide (1/2/2/7)","","- Ba Ce2 In2 S7 -","- Ba Ce2 In2 S7 -","- Ba2 Ce4 In4 S14 -","2","0.25","","Yin, Wenlong; Iyer, Abishek K.; Lin, Xinsong; Li, Chao; Yao, Jiyong; Mar, Arthur","Quaternary chalcogenides BaRE2In2Ch7 (RE = La-Nd; Ch = S, Se) containing InCh5 trigonal bipyramids.","Dalton transactions (Cambridge, England : 2003)","2016","45","31","12329","12337","10.1039/c6dt02385a","","","0.71073","MoKα","","0.0436","0.0331","","","0.0708","0.0748","","","","","","1.127","","","","has coordinates","185456","2020-10-21","18:00:00",""
"7039851","11.592","0.0006","12.3232","0.0007","4.021","0.0002","90","","90","","90","","574.4","0.05","296","2","296","2","","","","","","","","4","P b a m","-P 2 2ab","55","barium praseodymium indium sulfide (1/2/2/7)","barium praseodymium indium sulfide (1/2/2/7)","","- Ba In2 Pr2 S7 -","- Ba In2 Pr2 S7 -","- Ba2 In4 Pr4 S14 -","2","0.25","","Yin, Wenlong; Iyer, Abishek K.; Lin, Xinsong; Li, Chao; Yao, Jiyong; Mar, Arthur","Quaternary chalcogenides BaRE2In2Ch7 (RE = La-Nd; Ch = S, Se) containing InCh5 trigonal bipyramids.","Dalton transactions (Cambridge, England : 2003)","2016","45","31","12329","12337","10.1039/c6dt02385a","","","0.71073","MoKα","","0.0403","0.03","","","0.0601","0.0634","","","","","","1.141","","","","has coordinates","185456","2020-10-21","18:00:00",""
"7039852","12.1433","0.0008","12.8798","0.0009","4.1547","0.0003","90","","90","","90","","649.81","0.08","296","2","296","2","","","","","","","","4","P b a m","-P 2 2ab","55","barium praseodymium indium selenide (1/2/2/7)","barium praseodymium indium selenide (1/2/2/7)","","- Ba In2 Pr2 Se7 -","- Ba In2 Pr2 Se7 -","- Ba2 In4 Pr4 Se14 -","2","0.25","","Yin, Wenlong; Iyer, Abishek K.; Lin, Xinsong; Li, Chao; Yao, Jiyong; Mar, Arthur","Quaternary chalcogenides BaRE2In2Ch7 (RE = La-Nd; Ch = S, Se) containing InCh5 trigonal bipyramids.","Dalton transactions (Cambridge, England : 2003)","2016","45","31","12329","12337","10.1039/c6dt02385a","","","0.71073","MoKα","","0.0439","0.0337","","","0.0726","0.0774","","","","","","1.136","","","","has coordinates","185456","2020-10-21","18:00:00",""
"7039853","11.63","0.0008","12.4202","0.0009","4.0689","0.0003","90","","90","","90","","587.74","0.07","296","2","296","2","","","","","","","","4","P b a m","-P 2 2ab","55","barium lanthanum indium sulfide (1/2/2/7)","barium lanthanum indium sulfide (1/2/2/7)","","- Ba In2 La2 S7 -","- Ba In2 La2 S7 -","- Ba2 In4 La4 S14 -","2","0.25","","Yin, Wenlong; Iyer, Abishek K.; Lin, Xinsong; Li, Chao; Yao, Jiyong; Mar, Arthur","Quaternary chalcogenides BaRE2In2Ch7 (RE = La-Nd; Ch = S, Se) containing InCh5 trigonal bipyramids.","Dalton transactions (Cambridge, England : 2003)","2016","45","31","12329","12337","10.1039/c6dt02385a","","","0.71073","MoKα","","0.0341","0.0272","","","0.0563","0.0584","","","","","","1.104","","","","has coordinates","185456","2020-10-21","18:00:00",""
"7039854","7.594","0.0003","12.8525","0.0005","14.738","0.0005","76.845","0.002","76.375","0.002","73.105","0.002","1317.91","0.09","100","","100","","","","","","","","","8","P -1","-P 1","2","","","","- C19 H34 F3 N Ni O5 P2 S -","- C19 H34 F3 N Ni O5 P2 S -","- C38 H68 F6 N2 Ni2 O10 P4 S2 -","2","1","","Lapointe, S.; Zargarian, D.","On the mechanism of Ni(ii)-promoted Michael-type hydroamination of acrylonitrile and its substituted derivatives.","Dalton transactions (Cambridge, England : 2003)","2016","45","40","15800","15810","10.1039/c6dt02105k","","x-ray","1.34139","GaKα","","0.0337","0.0298","","","0.0776","0.0798","","","","","","1.067","","","","has coordinates","188203","2020-10-21","18:00:00",""
"7039855","7.5293","0.0003","11.2755","0.0005","17.2859","0.0007","84.276","0.002","88.649","0.002","87.103","0.002","1458.08","0.11","100","","100","","","","","","","","","8","P -1","-P 1","2","","","","- C21 H36 F3 N Ni O7 P2 S -","- C21 H36 F3 N Ni O7 P2 S -","- C42 H72 F6 N2 Ni2 O14 P4 S2 -","2","1","","Lapointe, S.; Zargarian, D.","On the mechanism of Ni(ii)-promoted Michael-type hydroamination of acrylonitrile and its substituted derivatives.","Dalton transactions (Cambridge, England : 2003)","2016","45","40","15800","15810","10.1039/c6dt02105k","","x-ray","1.34139","GaKα","","0.0361","0.0327","","","0.0885","0.0903","","","","","","1.078","","","","has coordinates","188203","2020-10-21","18:00:00",""
"7039856","8.1449","0.0004","10.6295","0.0005","18.1924","0.0008","78.203","0.002","77.454","0.002","89.556","0.002","1503.84","0.12","100","","100","","","","","","","","","8","P -1","-P 1","2","","","","- C24 H36 F3 N Ni O7 P2 S -","- C24 H36 F3 N Ni O7 P2 S -","- C48 H72 F6 N2 Ni2 O14 P4 S2 -","2","1","","Lapointe, S.; Zargarian, D.","On the mechanism of Ni(ii)-promoted Michael-type hydroamination of acrylonitrile and its substituted derivatives.","Dalton transactions (Cambridge, England : 2003)","2016","45","40","15800","15810","10.1039/c6dt02105k","","x-ray","1.34139","GaKα","","0.0481","0.037","","","0.0946","0.1008","","","","","","1.044","","","","has coordinates","188203","2020-10-21","18:00:00",""
"7039857","7.8878","0.00008","10.8927","0.00011","40.6954","0.0004","90","","91.891","0.0005","90","","3494.62","0.06","100","","100","","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C30 H40 F3 N Ni O7 P2 S -","- C30 H40 F3 N Ni O7 P2 S -","- C120 H160 F12 N4 Ni4 O28 P8 S4 -","4","1","","Lapointe, S.; Zargarian, D.","On the mechanism of Ni(ii)-promoted Michael-type hydroamination of acrylonitrile and its substituted derivatives.","Dalton transactions (Cambridge, England : 2003)","2016","45","40","15800","15810","10.1039/c6dt02105k","","x-ray","1.54178","CuKα","","0.032","0.0316","","","0.0821","0.0824","","","","","","1.124","","","","has coordinates","188203","2020-10-21","18:00:00",""
"7039858","9.288","0.0006","35.22","0.002","12.8458","0.0008","90","","102.689","0.004","90","","4099.5","0.4","100","","100","","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C38 H47 F3 N2 Ni O6.03 P2 S -","- C38 H47 F3 N2 Ni O6.032 P2 S -","- C152 H188 F12 N8 Ni4 O24.128 P8 S4 -","4","1","","Lapointe, S.; Zargarian, D.","On the mechanism of Ni(ii)-promoted Michael-type hydroamination of acrylonitrile and its substituted derivatives.","Dalton transactions (Cambridge, England : 2003)","2016","45","40","15800","15810","10.1039/c6dt02105k","","x-ray","1.34139","GaKα","","0.0518","0.0477","","","0.1155","0.1178","","","","","","1.108","","","","has coordinates,has disorder","188203","2020-10-21","18:00:00",""
"7039859","19.6119","0.0004","27.1456","0.0005","37.5545","0.0008","90","","90","","90","","19993.1","0.7","120","","120","","","","","","","","","8","P b c a","-P 2ac 2ab","61","","","","- C80.5 H103.5 Co5 N4.5 Na O29 S3.5 Si10 -","- C80.5 H103.5 Co5 N4.5 Na O29 S3.5 Si10 -","- C644 H828 Co40 N36 Na8 O232 S28 Si80 -","8","1","","Bilyachenko, A. N.; Yalymov, A. I.; Levitsky, M. M.; Korlyukov, A. A.; Es'kova, M. A.; Long, J.; Larionova, J.; Guari, Y.; Shul'pina, L. S.; Ikonnikov, N. S.; Trigub, A. L.; Zubavichus, Y. V.; Golub, I. E.; Shubina, E. S.; Shul'pin, G. B.","First cage-like pentanuclear Co(ii)-silsesquioxane.","Dalton transactions (Cambridge, England : 2003)","2016","45","35","13663","13666","10.1039/c6dt02026g","","","1.54178","CuKα","","0.1694","0.0986","","","0.219","0.2655","","","","","","1.044","","","","has coordinates,has disorder","186375","2020-10-21","18:00:00",""
"7039860","12.9663","0.0003","11.8541","0.0003","11.4866","0.0003","90","","105.407","0.003","90","","1702.09","0.08","120","","120","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C12 H22 Ca Cl2 N2 O4 -","- C12 H22 Ca Cl2 N2 O4 -","- C48 H88 Ca4 Cl8 N8 O16 -","4","0.5","","Perrin, Andrea; Musa, Osama M.; Steed, Jonathan W.","Modulating the hydration behaviour of calcium chloride by lactam complexation.","Dalton transactions (Cambridge, England : 2003)","2016","45","30","12181","12187","10.1039/c6dt02296k","","","0.71073","MoKα","","0.0232","0.0218","","","0.0582","0.0591","","","","","","1.08","","","","has coordinates","185326","2020-10-21","18:00:00",""
"7039861","8.9178","0.0003","16.3074","0.0007","16.3501","0.0006","116.158","0.004","97.927","0.003","99.693","0.004","2042.38","0.17","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","","","- C24 H58 Ca2 Cl4 N4 O15 -","- C24 H58 Ca2 Cl4 N4 O15 -","- C48 H116 Ca4 Cl8 N8 O30 -","2","1","","Perrin, Andrea; Musa, Osama M.; Steed, Jonathan W.","Modulating the hydration behaviour of calcium chloride by lactam complexation.","Dalton transactions (Cambridge, England : 2003)","2016","45","30","12181","12187","10.1039/c6dt02296k","","","0.71073","MoKα","","0.051","0.0362","","","0.0824","0.0898","","","","","","1.014","","","","has coordinates","185326","2020-10-21","18:00:00",""
"7039862","9.24","0.0006","9.9217","0.0007","15.7248","0.001","72.942","0.006","89.18","0.005","74.421","0.006","1324.29","0.16","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","","","- C32 H68 Ca4 Cl8 N4 O12 -","- C32 H68 Ca4 Cl8 N4 O12 -","- C32 H68 Ca4 Cl8 N4 O12 -","1","0.5","","Perrin, Andrea; Musa, Osama M.; Steed, Jonathan W.","Modulating the hydration behaviour of calcium chloride by lactam complexation.","Dalton transactions (Cambridge, England : 2003)","2016","45","30","12181","12187","10.1039/c6dt02296k","","","0.71073","MoKα","","0.0887","0.0512","","","0.0903","0.1031","","","","","","0.979","","","","has coordinates","185326","2020-10-21","18:00:00",""
"7039863","8.8007","0.0005","8.9311","0.0005","14.75","0.0008","99.325","0.005","95.103","0.004","104.163","0.005","1099.19","0.11","120","","120","","","","","","","","","6","P -1","-P 1","2","","","","- C12 H32 Ca Cl2 N2 O9 -","- C12 H32 Ca Cl2 N2 O9 -","- C24 H64 Ca2 Cl4 N4 O18 -","2","1","","Perrin, Andrea; Musa, Osama M.; Steed, Jonathan W.","Modulating the hydration behaviour of calcium chloride by lactam complexation.","Dalton transactions (Cambridge, England : 2003)","2016","45","30","12181","12187","10.1039/c6dt02296k","","","0.71073","MoKα","","0.0434","0.036","","","0.0868","0.0954","","","","","","1.053","","","","has coordinates","185326","2020-10-21","18:00:00",""
"7039864","37.6442","0.0006","8.4336","0.0001","16.14","0.0003","90","","110.457","0.001","90","","4800.91","0.13","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C13 H36 K N4 O14 P3 -","- C13 H36 K N4 O14 P3 -","- C104 H288 K8 N32 O112 P24 -","8","1","","Ševčík, R; Vaněk, J; Michalicová, R; Lubal, P.; Hermann, P.; Santos, I. C.; Santos, I.; Campello, M. P. C.","Formation and decomplexation kinetics of copper(ii) complexes with cyclen derivatives having mixed carboxylate and phosphonate pendant arms.","Dalton transactions (Cambridge, England : 2003)","2016","45","32","12723","12733","10.1039/c6dt01127f","","","0.71073","MoKα","","0.0461","0.0382","","","0.0993","0.1027","","","","","","1.063","","","","has coordinates","186439","2020-10-21","18:00:00",""
"7039865","15.5292","0.0003","18.0323","0.0005","27.1454","0.0019","90","","92.228","0.007","90","","7595.7","0.6","123","2","123","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C78.6 H70.6 F6 O2 P5 Ru S Si -","- C78.6 H70.6 F6 O2 P5 Ru S Si -","- C314.4 H282.4 F24 O8 P20 Ru4 S4 Si4 -","4","1","","Massin, Julien; Lyu, Siliu; Pavone, Michele; Muñoz-García, Ana B; Kauffmann, Brice; Toupance, Thierry; Chavarot-Kerlidou, Murielle; Artero, Vincent; Olivier, Céline","Design and synthesis of novel organometallic dyes for NiO sensitization and photo-electrochemical applications.","Dalton transactions (Cambridge, England : 2003)","2016","45","31","12539","12547","10.1039/c6dt02177h","","","1.54178","CuKα","","0.0801","0.0658","","","0.1734","0.2024","","","","","","1.127","","","","has coordinates,has disorder","185467","2020-10-21","18:00:00",""
"7039866","9.812","0.0001","24.1902","0.0003","12.481","0.0002","90","","126.593","0.001","90","","2378.5","0.06","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C20 H44 Cl N2 O2 Sc -","- C20 H44 Cl N2 O2 Sc -","- C80 H176 Cl4 N8 O8 Sc4 -","4","1","","Spallek, Tatiana; Heß, Oliver; Meermann-Zimmermann, Melanie; Meermann, Christian; Klimpel, Michael G.; Estler, Frank; Schneider, David; Scherer, Wolfgang; Tafipolsky, Maxim; Törnroos, Karl W; Maichle-Mössmer, Cäcilia; Sirsch, Peter; Anwander, Reiner","Synthesis and structural diversity of trivalent rare-earth metal diisopropylamide complexes.","Dalton transactions (Cambridge, England : 2003)","2016","45","35","13750","13765","10.1039/c6dt01568a","","","0.71073","MoKα","","0.03","0.0272","","","0.068","0.0697","","","","","","1.023","","","","has coordinates","186387","2020-10-21","18:00:00",""
"7039867","13.323","0.007","15.083","0.008","16.509","0.009","90","","90","","90","","3317","3","150","2","150","2","","","","","","","","5","C m c 21","C 2c -2","36","","","","- C26 H58 La N3 O2 -","- C26 H58 La N3 O2 -","- C104 H232 La4 N12 O8 -","4","0.5","","Spallek, Tatiana; Heß, Oliver; Meermann-Zimmermann, Melanie; Meermann, Christian; Klimpel, Michael G.; Estler, Frank; Schneider, David; Scherer, Wolfgang; Tafipolsky, Maxim; Törnroos, Karl W; Maichle-Mössmer, Cäcilia; Sirsch, Peter; Anwander, Reiner","Synthesis and structural diversity of trivalent rare-earth metal diisopropylamide complexes.","Dalton transactions (Cambridge, England : 2003)","2016","45","35","13750","13765","10.1039/c6dt01568a","","","0.71073","MoKα","","0.0569","0.0491","","","0.1254","0.1297","","","","","","1.198","","","","has coordinates,has disorder","186387","2020-10-21","18:00:00",""
"7039868","13.5111","0.0003","28.9345","0.0006","32.514","0.0007","90","","100.544","0.001","90","","12496.3","0.5","100","2","100","2","","","","","","","","6","P 1 c 1","P -2yc","7","","","","- C32 H72 Cl2 Lu2 N4 O2 -","- C32 H72 Cl2 Lu2 N4 O2 -","- C384 H864 Cl24 Lu24 N48 O24 -","12","6","","Spallek, Tatiana; Heß, Oliver; Meermann-Zimmermann, Melanie; Meermann, Christian; Klimpel, Michael G.; Estler, Frank; Schneider, David; Scherer, Wolfgang; Tafipolsky, Maxim; Törnroos, Karl W; Maichle-Mössmer, Cäcilia; Sirsch, Peter; Anwander, Reiner","Synthesis and structural diversity of trivalent rare-earth metal diisopropylamide complexes.","Dalton transactions (Cambridge, England : 2003)","2016","45","35","13750","13765","10.1039/c6dt01568a","","","0.71073","MoKα","","0.0462","0.0385","","","0.0749","0.0777","","","","","","1.101","","","","has coordinates,has disorder","186387","2020-10-21","18:00:00",""
"7039869","17.7751","0.0014","8.6911","0.0007","23.4303","0.0017","90","","111.246","0.002","90","","3373.6","0.5","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C46 H102 Cl10 Li2 N4 O4 Sc4 -","- C46 H102 Cl10 Li2 N4 O4 Sc4 -","- C92 H204 Cl20 Li4 N8 O8 Sc8 -","2","0.5","","Spallek, Tatiana; Heß, Oliver; Meermann-Zimmermann, Melanie; Meermann, Christian; Klimpel, Michael G.; Estler, Frank; Schneider, David; Scherer, Wolfgang; Tafipolsky, Maxim; Törnroos, Karl W; Maichle-Mössmer, Cäcilia; Sirsch, Peter; Anwander, Reiner","Synthesis and structural diversity of trivalent rare-earth metal diisopropylamide complexes.","Dalton transactions (Cambridge, England : 2003)","2016","45","35","13750","13765","10.1039/c6dt01568a","","","0.71073","MoKα","","0.1213","0.0548","","","0.1018","0.1233","","","","","","0.998","","","","has coordinates,has disorder","186387","2020-10-21","18:00:00",""
"7039870","17.303","0.01","10.781","0.006","18.467","0.008","90","","121.21","0.04","90","","2946","3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H56 Li N4 Y -","- C24 H56 Li N4 Y -","- C96 H224 Li4 N16 Y4 -","4","1","","Spallek, Tatiana; Heß, Oliver; Meermann-Zimmermann, Melanie; Meermann, Christian; Klimpel, Michael G.; Estler, Frank; Schneider, David; Scherer, Wolfgang; Tafipolsky, Maxim; Törnroos, Karl W; Maichle-Mössmer, Cäcilia; Sirsch, Peter; Anwander, Reiner","Synthesis and structural diversity of trivalent rare-earth metal diisopropylamide complexes.","Dalton transactions (Cambridge, England : 2003)","2016","45","35","13750","13765","10.1039/c6dt01568a","","","0.71073","MoKα","","0.0336","0.0241","","","0.0539","0.0569","","","","","","1.01","","","","has coordinates","186387","2020-10-21","18:00:00",""
"7039871","13.4201","0.0006","29.065","0.0014","32.264","0.0015","90","","100.72","0.002","90","","12365.1","1","173","2","173","2","","","","","","","","6","P 1 c 1","P -2yc","7","","","","- C32 H72 Cl2 N4 O2 Y2 -","- C32 H72 Cl2 N4 O2 Y2 -","- C384 H864 Cl24 N48 O24 Y24 -","12","6","","Spallek, Tatiana; Heß, Oliver; Meermann-Zimmermann, Melanie; Meermann, Christian; Klimpel, Michael G.; Estler, Frank; Schneider, David; Scherer, Wolfgang; Tafipolsky, Maxim; Törnroos, Karl W; Maichle-Mössmer, Cäcilia; Sirsch, Peter; Anwander, Reiner","Synthesis and structural diversity of trivalent rare-earth metal diisopropylamide complexes.","Dalton transactions (Cambridge, England : 2003)","2016","45","35","13750","13765","10.1039/c6dt01568a","","","0.71073","MoKα","","0.0698","0.0425","","","0.0825","0.0899","","","","","","1.055","","","","has coordinates,has disorder","186387","2020-10-21","18:00:00",""
"7039872","17.7101","0.0004","9.6679","0.0002","17.0078","0.0004","90","","116.211","0.001","90","","2612.63","0.1","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H50 N3 O Sc -","- C22 H50 N3 O Sc -","- C88 H200 N12 O4 Sc4 -","4","1","","Spallek, Tatiana; Heß, Oliver; Meermann-Zimmermann, Melanie; Meermann, Christian; Klimpel, Michael G.; Estler, Frank; Schneider, David; Scherer, Wolfgang; Tafipolsky, Maxim; Törnroos, Karl W; Maichle-Mössmer, Cäcilia; Sirsch, Peter; Anwander, Reiner","Synthesis and structural diversity of trivalent rare-earth metal diisopropylamide complexes.","Dalton transactions (Cambridge, England : 2003)","2016","45","35","13750","13765","10.1039/c6dt01568a","","","0.71073","MoKα","","0.0331","0.0291","","","0.0768","0.0797","","","","","","1.027","","","","has coordinates,has disorder","186387","2020-10-21","18:00:00",""
"7039873","21.3309","0.0005","10.6805","0.0003","16.5145","0.0004","90","","101.83","0.001","90","","3682.5","0.16","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C58 H130 Cl2 La3 N7 O4 -","- C58 H130 Cl2 La3 N7 O4 -","- C116 H260 Cl4 La6 N14 O8 -","2","0.5","","Spallek, Tatiana; Heß, Oliver; Meermann-Zimmermann, Melanie; Meermann, Christian; Klimpel, Michael G.; Estler, Frank; Schneider, David; Scherer, Wolfgang; Tafipolsky, Maxim; Törnroos, Karl W; Maichle-Mössmer, Cäcilia; Sirsch, Peter; Anwander, Reiner","Synthesis and structural diversity of trivalent rare-earth metal diisopropylamide complexes.","Dalton transactions (Cambridge, England : 2003)","2016","45","35","13750","13765","10.1039/c6dt01568a","","","0.71073","MoKα","","0.0533","0.0459","","","0.1053","0.1094","","","","","","1.142","","","","has coordinates,has disorder","186387","2020-10-21","18:00:00",""
"7039874","9.9748","0.0002","24.2613","0.0006","12.6126","0.0002","90","","126.419","0.001","90","","2456.15","0.09","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C20 H44 Cl Lu N2 O2 -","- C20 H44 Cl Lu N2 O2 -","- C80 H176 Cl4 Lu4 N8 O8 -","4","1","","Spallek, Tatiana; Heß, Oliver; Meermann-Zimmermann, Melanie; Meermann, Christian; Klimpel, Michael G.; Estler, Frank; Schneider, David; Scherer, Wolfgang; Tafipolsky, Maxim; Törnroos, Karl W; Maichle-Mössmer, Cäcilia; Sirsch, Peter; Anwander, Reiner","Synthesis and structural diversity of trivalent rare-earth metal diisopropylamide complexes.","Dalton transactions (Cambridge, England : 2003)","2016","45","35","13750","13765","10.1039/c6dt01568a","","","0.71073","MoKα","","0.0276","0.0211","","","0.0395","0.0412","","","","","","1.036","","","","has coordinates,has disorder","186387","2020-10-21","18:00:00",""
"7039875","12.8672","0.0005","14.8525","0.0005","19.3804","0.0007","90","","90","","90","","3703.8","0.2","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C32 H72 N4 Na O2 Sc -","- C32 H72 N4 Na O2 Sc -","- C128 H288 N16 Na4 O8 Sc4 -","4","1","","Spallek, Tatiana; Heß, Oliver; Meermann-Zimmermann, Melanie; Meermann, Christian; Klimpel, Michael G.; Estler, Frank; Schneider, David; Scherer, Wolfgang; Tafipolsky, Maxim; Törnroos, Karl W; Maichle-Mössmer, Cäcilia; Sirsch, Peter; Anwander, Reiner","Synthesis and structural diversity of trivalent rare-earth metal diisopropylamide complexes.","Dalton transactions (Cambridge, England : 2003)","2016","45","35","13750","13765","10.1039/c6dt01568a","","","0.71073","MoKα","","0.057","0.0402","","","0.08","0.0876","","","","","","1.019","","","","has coordinates,has disorder","186387","2020-10-21","18:00:00",""
"7039876","11.5846","0.0004","18.8814","0.0005","13.1895","0.0004","90","","95.116","0.002","90","","2873.49","0.15","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C40 H88 Cl8 N4 O4 Sc4 -","- C40 H88 Cl8 N4 O4 Sc4 -","- C80 H176 Cl16 N8 O8 Sc8 -","2","0.5","","Spallek, Tatiana; Heß, Oliver; Meermann-Zimmermann, Melanie; Meermann, Christian; Klimpel, Michael G.; Estler, Frank; Schneider, David; Scherer, Wolfgang; Tafipolsky, Maxim; Törnroos, Karl W; Maichle-Mössmer, Cäcilia; Sirsch, Peter; Anwander, Reiner","Synthesis and structural diversity of trivalent rare-earth metal diisopropylamide complexes.","Dalton transactions (Cambridge, England : 2003)","2016","45","35","13750","13765","10.1039/c6dt01568a","","","0.71073","MoKα","","0.0487","0.0318","","","0.0638","0.0692","","","","","","1.028","","","","has coordinates,has disorder","186387","2020-10-21","18:00:00",""
"7039877","15.7249","0.0003","20.4979","0.0004","20.6858","0.0004","90","","93.67","0.001","90","","6653.9","0.2","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C28 H64 N4 Na O Sc -","- C28 H64 N4 Na O Sc -","- C224 H512 N32 Na8 O8 Sc8 -","8","2","","Spallek, Tatiana; Heß, Oliver; Meermann-Zimmermann, Melanie; Meermann, Christian; Klimpel, Michael G.; Estler, Frank; Schneider, David; Scherer, Wolfgang; Tafipolsky, Maxim; Törnroos, Karl W; Maichle-Mössmer, Cäcilia; Sirsch, Peter; Anwander, Reiner","Synthesis and structural diversity of trivalent rare-earth metal diisopropylamide complexes.","Dalton transactions (Cambridge, England : 2003)","2016","45","35","13750","13765","10.1039/c6dt01568a","","","0.71073","MoKα","","0.092","0.0455","","","0.0871","0.1015","","","","","","1.024","","","","has coordinates","186387","2020-10-21","18:00:00",""
"7039878","13.1495","0.0009","15.1703","0.001","19.3237","0.0013","90","","90","","90","","3854.7","0.4","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C32 H75 La N4 Na O2 -","- C32 H72 La N4 Na O2 -","- C128 H288 La4 N16 Na4 O8 -","4","1","","Spallek, Tatiana; Heß, Oliver; Meermann-Zimmermann, Melanie; Meermann, Christian; Klimpel, Michael G.; Estler, Frank; Schneider, David; Scherer, Wolfgang; Tafipolsky, Maxim; Törnroos, Karl W; Maichle-Mössmer, Cäcilia; Sirsch, Peter; Anwander, Reiner","Synthesis and structural diversity of trivalent rare-earth metal diisopropylamide complexes.","Dalton transactions (Cambridge, England : 2003)","2016","45","35","13750","13765","10.1039/c6dt01568a","","","0.71073","MoKα","","0.0336","0.0273","","","0.0548","0.0572","","","","","","0.981","","","","has coordinates,has disorder","186387","2020-10-21","18:00:00",""
"7039879","15.7468","0.0006","20.6709","0.0007","20.8642","0.0007","90","","93.719","0.002","90","","6777","0.4","108","2","108","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C28 H64 Lu N4 Na O -","- C28 H64 Lu N4 Na O -","- C224 H512 Lu8 N32 Na8 O8 -","8","2","","Spallek, Tatiana; Heß, Oliver; Meermann-Zimmermann, Melanie; Meermann, Christian; Klimpel, Michael G.; Estler, Frank; Schneider, David; Scherer, Wolfgang; Tafipolsky, Maxim; Törnroos, Karl W; Maichle-Mössmer, Cäcilia; Sirsch, Peter; Anwander, Reiner","Synthesis and structural diversity of trivalent rare-earth metal diisopropylamide complexes.","Dalton transactions (Cambridge, England : 2003)","2016","45","35","13750","13765","10.1039/c6dt01568a","","","0.71073","MoKα","","0.0237","0.0195","","","0.0434","0.0447","","","","","","1.023","","","","has coordinates","186387","2020-10-21","18:00:00",""
"7039880","13.0168","0.0002","15.0106","0.0003","19.3492","0.0004","90","","90","","90","","3780.64","0.12","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C32 H72 N4 Na O2 Y -","- C32 H72 N4 Na O2 Y -","- C128 H288 N16 Na4 O8 Y4 -","4","1","","Spallek, Tatiana; Heß, Oliver; Meermann-Zimmermann, Melanie; Meermann, Christian; Klimpel, Michael G.; Estler, Frank; Schneider, David; Scherer, Wolfgang; Tafipolsky, Maxim; Törnroos, Karl W; Maichle-Mössmer, Cäcilia; Sirsch, Peter; Anwander, Reiner","Synthesis and structural diversity of trivalent rare-earth metal diisopropylamide complexes.","Dalton transactions (Cambridge, England : 2003)","2016","45","35","13750","13765","10.1039/c6dt01568a","","","0.71073","MoKα","","0.0244","0.0215","","","0.0503","0.051","","","","","","1.004","","","","has coordinates,has disorder","186387","2020-10-21","18:00:00",""
"7039881","15.206","0.0006","21.105","0.0007","21.0749","0.0008","90","","94.069","0.001","90","","6746.4","0.4","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C28 H64 Li N4 O Y -","- C28 H64 Li N4 O Y -","- C224 H512 Li8 N32 O8 Y8 -","8","2","","Spallek, Tatiana; Heß, Oliver; Meermann-Zimmermann, Melanie; Meermann, Christian; Klimpel, Michael G.; Estler, Frank; Schneider, David; Scherer, Wolfgang; Tafipolsky, Maxim; Törnroos, Karl W; Maichle-Mössmer, Cäcilia; Sirsch, Peter; Anwander, Reiner","Synthesis and structural diversity of trivalent rare-earth metal diisopropylamide complexes.","Dalton transactions (Cambridge, England : 2003)","2016","45","35","13750","13765","10.1039/c6dt01568a","","","0.71073","MoKα","","0.0616","0.0352","","","0.0708","0.0782","","","","","","1.022","","","","has coordinates,has disorder","186387","2020-10-21","18:00:00",""
"7039882","15.7168","0.0003","20.7661","0.0005","20.9724","0.0005","90","","93.788","0.001","90","","6829.9","0.3","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C28 H64 N4 Na O Y -","- C28 H64 N4 Na O Y -","- C224 H512 N32 Na8 O8 Y8 -","8","2","","Spallek, Tatiana; Heß, Oliver; Meermann-Zimmermann, Melanie; Meermann, Christian; Klimpel, Michael G.; Estler, Frank; Schneider, David; Scherer, Wolfgang; Tafipolsky, Maxim; Törnroos, Karl W; Maichle-Mössmer, Cäcilia; Sirsch, Peter; Anwander, Reiner","Synthesis and structural diversity of trivalent rare-earth metal diisopropylamide complexes.","Dalton transactions (Cambridge, England : 2003)","2016","45","35","13750","13765","10.1039/c6dt01568a","","","0.71073","MoKα","","0.0661","0.0374","","","0.0709","0.0778","","","","","","1.018","","","","has coordinates,has disorder","186387","2020-10-21","18:00:00",""
"7039883","15.0828","0.0009","21.3232","0.0013","20.9299","0.0014","90","","92.885","0.002","90","","6722.8","0.7","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C28 H64 Li Lu N4 O -","- C28 H64 Li Lu N4 O -","- C224 H512 Li8 Lu8 N32 O8 -","8","2","","Spallek, Tatiana; Heß, Oliver; Meermann-Zimmermann, Melanie; Meermann, Christian; Klimpel, Michael G.; Estler, Frank; Schneider, David; Scherer, Wolfgang; Tafipolsky, Maxim; Törnroos, Karl W; Maichle-Mössmer, Cäcilia; Sirsch, Peter; Anwander, Reiner","Synthesis and structural diversity of trivalent rare-earth metal diisopropylamide complexes.","Dalton transactions (Cambridge, England : 2003)","2016","45","35","13750","13765","10.1039/c6dt01568a","","","0.71073","MoKα","","0.029","0.0216","","","0.0451","0.0477","","","","","","1.02","","","","has coordinates,has disorder","186387","2020-10-21","18:00:00",""
"7039884","15.1993","0.0011","21.235","0.0014","21.2895","0.0014","90","","95.637","0.004","90","","6838.1","0.8","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C28 H64 La Li N4 O -","- C28 H64 La Li N4 O -","- C224 H512 La8 Li8 N32 O8 -","8","2","","Spallek, Tatiana; Heß, Oliver; Meermann-Zimmermann, Melanie; Meermann, Christian; Klimpel, Michael G.; Estler, Frank; Schneider, David; Scherer, Wolfgang; Tafipolsky, Maxim; Törnroos, Karl W; Maichle-Mössmer, Cäcilia; Sirsch, Peter; Anwander, Reiner","Synthesis and structural diversity of trivalent rare-earth metal diisopropylamide complexes.","Dalton transactions (Cambridge, England : 2003)","2016","45","35","13750","13765","10.1039/c6dt01568a","","","0.71073","MoKα","","0.0371","0.0235","","","0.0463","0.0514","","","","","","1.043","","","","has coordinates,has disorder","186387","2020-10-21","18:00:00",""
"7039885","14.9737","0.0003","21.2886","0.0004","20.7196","0.0004","90","","92.356","0.001","90","","6599.2","0.2","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C28 H64 Li N4 O Sc -","- C28 H64 Li N4 O Sc -","- C224 H512 Li8 N32 O8 Sc8 -","8","2","","Spallek, Tatiana; Heß, Oliver; Meermann-Zimmermann, Melanie; Meermann, Christian; Klimpel, Michael G.; Estler, Frank; Schneider, David; Scherer, Wolfgang; Tafipolsky, Maxim; Törnroos, Karl W; Maichle-Mössmer, Cäcilia; Sirsch, Peter; Anwander, Reiner","Synthesis and structural diversity of trivalent rare-earth metal diisopropylamide complexes.","Dalton transactions (Cambridge, England : 2003)","2016","45","35","13750","13765","10.1039/c6dt01568a","","","0.71073","MoKα","","0.0587","0.0387","","","0.0936","0.1006","","","","","","0.994","","","","has coordinates,has disorder","186387","2020-10-21","18:00:00",""
"7039886","17.7283","0.0002","17.9385","0.0002","20.8681","0.0003","66.466","0.001","89.888","0.001","60.578","0.001","5140.63","0.14","133","2","133","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H28 Mn4 O12 S4 -","- C24 H28 Mn4 O12 S4 -","- C144 H168 Mn24 O72 S24 -","6","3","","Gläser, Steve; Mede, Ralf; Görls, Helmar; Seupel, Susanne; Bohlender, Carmen; Wyrwa, Ralf; Schirmer, Sina; Dochow, Sebastian; Reddy, Gandra Upendar; Popp, Jürgen; Westerhausen, Matthias; Schiller, Alexander","Remote-controlled delivery of CO via photoactive CO-releasing materials on a fiber optical device.","Dalton transactions (Cambridge, England : 2003)","2016","45","33","13222","13233","10.1039/c6dt02011a","","","0.71073","MoKα","","0.0395","0.0376","","","0.0872","0.0886","","","","","","1.12","","","","has coordinates","186423","2020-10-21","18:00:00",""
"7039887","19.1734","0.0009","18.1618","0.0009","65.709","0.003","90","","91.582","0.002","90","","22872.7","1.9","413","2","413","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H36 Mn4 O12 S4 -","- C28 H36 Mn4 O12 S4 -","- C672 H864 Mn96 O288 S96 -","24","6","","Gläser, Steve; Mede, Ralf; Görls, Helmar; Seupel, Susanne; Bohlender, Carmen; Wyrwa, Ralf; Schirmer, Sina; Dochow, Sebastian; Reddy, Gandra Upendar; Popp, Jürgen; Westerhausen, Matthias; Schiller, Alexander","Remote-controlled delivery of CO via photoactive CO-releasing materials on a fiber optical device.","Dalton transactions (Cambridge, England : 2003)","2016","45","33","13222","13233","10.1039/c6dt02011a","","","0.71073","MoKα","","0.1154","0.0598","","","0.1092","0.1276","","","","","","1.03","","","","has coordinates,has disorder","186423","2020-10-21","18:00:00",""
"7039888","10.016","0.002","12.061","0.003","16.103","0.004","104.466","0.002","107.161","0.002","102.209","0.002","1712.1","0.7","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C42.5 H40 N2 P2 -","- C42.5 H40 N2 P2 -","- C85 H80 N4 P4 -","2","1","","Schmid, Bernhard; Frieß, Sibylle; Herrera, Alberto; Linden, Anthony; Heinemann, Frank W.; Locke, Harald; Harder, Sjoerd; Dorta, Romano","Chiral amino-phosphine and amido-phosphine complexes of Ir and Mg. Catalytic applications in olefin hydroamination.","Dalton transactions (Cambridge, England : 2003)","2016","45","30","12028","12040","10.1039/c6dt01146b","","","0.71073","MoKα","","0.0574","0.0424","","","0.1002","0.1091","","","","","","1.029","","","","has coordinates,has disorder","185318","2020-10-21","18:00:00",""
"7039889","10.4127","0.0003","20.6503","0.0003","11.3111","0.0003","90","","113.247","0.003","90","","2234.71","0.11","160","2","160","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C54 H54 Mg N2 O2 P2 -","- C54 H54 Mg N2 O2 P2 -","- C108 H108 Mg2 N4 O4 P4 -","2","1","","Schmid, Bernhard; Frieß, Sibylle; Herrera, Alberto; Linden, Anthony; Heinemann, Frank W.; Locke, Harald; Harder, Sjoerd; Dorta, Romano","Chiral amino-phosphine and amido-phosphine complexes of Ir and Mg. Catalytic applications in olefin hydroamination.","Dalton transactions (Cambridge, England : 2003)","2016","45","30","12028","12040","10.1039/c6dt01146b","","","0.71073","MoKα","","0.0473","0.0427","","","0.1002","0.1048","","","","","","1.064","","","","has coordinates","185318","2020-10-21","18:00:00",""
"7039890","22.72621","0.00015","22.72621","0.00015","17.6278","0.0002","90","","90","","90","","9104.42","0.13","160","2","160","2","","","","","","","","6","P 42 b c","P 4c -2ab","106","","","","- C94 H84 Cl2 Ir2 N4 P4 -","- C80 H68 Cl2 Ir2 N4 P4 -","- C320 H272 Cl8 Ir8 N16 P16 -","4","0.5","","Schmid, Bernhard; Frieß, Sibylle; Herrera, Alberto; Linden, Anthony; Heinemann, Frank W.; Locke, Harald; Harder, Sjoerd; Dorta, Romano","Chiral amino-phosphine and amido-phosphine complexes of Ir and Mg. Catalytic applications in olefin hydroamination.","Dalton transactions (Cambridge, England : 2003)","2016","45","30","12028","12040","10.1039/c6dt01146b","","","0.71073","MoKα","","0.0427","0.0276","","","0.0617","0.0678","","","","","","1.113","","","","has coordinates","211332","2020-10-21","18:00:00",""
"7039891","27.62","0.005","27.62","0.005","28.5419","0.0009","90","","90","","120","","18856","5","100","2","100","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C44.67 H41 Cl Ir N4.33 P2 -","- C44.666 H40.999 Cl Ir N4.33333 P2 -","- C803.988 H737.982 Cl18 Ir18 N78 P36 -","18","1","","Schmid, Bernhard; Frieß, Sibylle; Herrera, Alberto; Linden, Anthony; Heinemann, Frank W.; Locke, Harald; Harder, Sjoerd; Dorta, Romano","Chiral amino-phosphine and amido-phosphine complexes of Ir and Mg. Catalytic applications in olefin hydroamination.","Dalton transactions (Cambridge, England : 2003)","2016","45","30","12028","12040","10.1039/c6dt01146b","","","0.71073","MoKα","","0.0556","0.0312","","","0.068","0.0838","","","","","","1.239","","","","has coordinates,has disorder","185318","2020-10-21","18:00:00",""
"7039892","14.819","0.002","25.424","0.003","29.317","0.005","90","","99.017","0.002","90","","10909","3","296","2","296.15","","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C31 H42 N6 O9 Ru -","- C31 H28 N6 O5 Ru -","- C372 H336 N72 O60 Ru12 -","12","3","","Lu, Zhongkai; Gao, Yan; Chen, Hong; Liu, Zhao; Chen, Lifang; Sun, Licheng","Efficient molecular ruthenium catalysts containing anionic ligands for water oxidation.","Dalton transactions (Cambridge, England : 2003)","2016","45","46","18459","18464","10.1039/c6dt02056a","","","0.71073","MoKα","","0.1035","0.0592","","","0.1316","0.1506","","","","","","0.93","","","","has coordinates","190107","2020-10-21","18:00:00",""
"7039893","12.5685","0.0006","8.1196","0.0004","20.4312","0.001","90","","91.5345","0.0016","90","","2084.28","0.18","120","","120","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C22 H25 Cl N O2 P Ru -","- C22 H25 Cl N O2 P Ru -","- C88 H100 Cl4 N4 O8 P4 Ru4 -","4","1","","Cross, Jasmine M.; Gallagher, Natalie; Gill, Jason H.; Jain, Mohit; McNeillis, Archibald W.; Rockley, Kimberly L.; Tscherny, Fiona H.; Wirszycz, Natasha J.; Yufit, Dmitry S.; Walton, James W.","Pyridylphosphinate metal complexes: synthesis, structural characterisation and biological activity.","Dalton transactions (Cambridge, England : 2003)","2016","45","32","12807","12813","10.1039/c6dt01264g","","x-ray","0.71073","MoKα","","0.0482","0.0309","","","0.058","0.0629","","","","","","1.04","","","","has coordinates","186429","2020-10-21","18:00:00",""
"7039894","14.7318","0.0002","16.6565","0.0002","8.3433","0.0001","90","","107.664","0.002","90","","1950.76","0.05","120","","120","","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C17 H26 Cl Ir N O3 P -","- C17 H26 Cl Ir N O3 P -","- C68 H104 Cl4 Ir4 N4 O12 P4 -","4","1","","Cross, Jasmine M.; Gallagher, Natalie; Gill, Jason H.; Jain, Mohit; McNeillis, Archibald W.; Rockley, Kimberly L.; Tscherny, Fiona H.; Wirszycz, Natasha J.; Yufit, Dmitry S.; Walton, James W.","Pyridylphosphinate metal complexes: synthesis, structural characterisation and biological activity.","Dalton transactions (Cambridge, England : 2003)","2016","45","32","12807","12813","10.1039/c6dt01264g","","x-ray","0.71073","MoKα","","0.0217","0.0202","","","0.0489","0.0497","","","","","","1.076","","","","has coordinates","186429","2020-10-21","18:00:00",""
"7039895","15.428","0.003","7.2853","0.0015","18.627","0.004","90","","113.986","0.002","90","","1912.8","0.7","273","2","273","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","[MnBr(CO)3(adamant)]","","- C19 H20 Br Mn N2 O3 -","- C19 H20 Br Mn N2 O3 -","- C76 H80 Br4 Mn4 N8 O12 -","4","1","","Jimenez, Jorge; Chakraborty, Indranil; Carrington, Samantha J.; Mascharak, Pradip K.","Light-triggered CO delivery by a water-soluble and biocompatible manganese photoCORM.","Dalton transactions (Cambridge, England : 2003)","2016","45","33","13204","13213","10.1039/c6dt01358a","","","0.71073","MoKα","","0.0553","0.0493","","","0.1759","0.1794","","","","","","1.388","","","","has coordinates","186421","2020-10-21","18:00:00",""
"7039896","7.192","0.0003","20.6213","0.0009","12.1639","0.0005","90","","93.643","0.001","90","","1800.36","0.13","273","2","273","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","[MnBr(CO)3(triaza-adamant)]","","- C16 H17 Br Mn N5 O3 -","- C16 H17 Br Mn N5 O3 -","- C64 H68 Br4 Mn4 N20 O12 -","4","1","","Jimenez, Jorge; Chakraborty, Indranil; Carrington, Samantha J.; Mascharak, Pradip K.","Light-triggered CO delivery by a water-soluble and biocompatible manganese photoCORM.","Dalton transactions (Cambridge, England : 2003)","2016","45","33","13204","13213","10.1039/c6dt01358a","","","0.71073","MoKα","","0.0422","0.0378","","","0.139","0.1436","","","","","","1.211","","","","has coordinates","186421","2020-10-21","18:00:00",""
"7039897","8.788","0.005","10.438","0.005","12.643","0.003","104.88","0.02","105.15","0.03","103.47","0.06","1024.4","0.9","273","2","273","2","","","","","","","","6","P -1","-P 1","2","","[MnBr(CO)3(QTAm)]","","- C20 H19 Br Mn N5 O3 -","- C20 H19 Br Mn N5 O3 -","- C40 H38 Br2 Mn2 N10 O6 -","2","1","","Jimenez, Jorge; Chakraborty, Indranil; Carrington, Samantha J.; Mascharak, Pradip K.","Light-triggered CO delivery by a water-soluble and biocompatible manganese photoCORM.","Dalton transactions (Cambridge, England : 2003)","2016","45","33","13204","13213","10.1039/c6dt01358a","","","0.71073","MoKα","","0.0716","0.0508","","","0.1377","0.155","","","","","","0.895","","","","has coordinates","186421","2020-10-21","18:00:00",""
"7039898","12.9763","0.0018","13.0824","0.0018","15.111","0.002","90","","94.566","0.002","90","","2557.1","0.6","200","","200","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C19 H33 Ag B F4 N S4 -","- C19 H33 Ag B F4 N S4 -","- C76 H132 Ag4 B4 F16 N4 S16 -","4","1","","Iwatsuki, Satoshi; Ichiyama, Atsushi; Tanooka, Syogo; Toyama, Mari; Katagiri, Kosuke; Kawahata, Masatoshi; Yamaguchi, Kentaro; Danjo, Hiroshi; Chayama, Kenji","Coordination structure and extraction behavior of a silver ion with N-substituted-9-aza-3,6,12,15-tetrathiaheptadecanes: significant effect of Ph-C-N framework on the extractability.","Dalton transactions (Cambridge, England : 2003)","2016","45","31","12548","12558","10.1039/c6dt01535b","","","0.71073","MoKα","","0.0422","0.0316","","","0.0709","0.076","","","","","","1.07","","","","has coordinates,has disorder","185468","2020-10-21","18:00:00",""
"7039899","8.7519","0.0005","10.4885","0.0005","16.6546","0.0008","74.344","0.004","88.806","0.004","81.965","0.004","1457.4","0.13","173","","173","","","","","","","","","8","P -1","-P 1","2","","","","- C25 H37 Ag B F4 N O0.5 S4 -","- C25 H37 Ag B F4 N S4 -","- C50 H74 Ag2 B2 F8 N2 S8 -","2","1","","Iwatsuki, Satoshi; Ichiyama, Atsushi; Tanooka, Syogo; Toyama, Mari; Katagiri, Kosuke; Kawahata, Masatoshi; Yamaguchi, Kentaro; Danjo, Hiroshi; Chayama, Kenji","Coordination structure and extraction behavior of a silver ion with N-substituted-9-aza-3,6,12,15-tetrathiaheptadecanes: significant effect of Ph-C-N framework on the extractability.","Dalton transactions (Cambridge, England : 2003)","2016","45","31","12548","12558","10.1039/c6dt01535b","","x-ray","1.54184","CuKα","","0.0586","0.0494","","","0.1306","0.1381","","","","","","1.064","","","","has coordinates","185468","2020-10-21","18:00:00",""
"7039900","11.308","0.0004","26.7172","0.0008","14.0045","0.0005","90","","99.477","0.001","90","","4173.3","0.2","100","2","100","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C38 H44 F12 N10 O P2 Ru -","- C38 H44 F12 N10 O P2 Ru -","- C152 H176 F48 N40 O4 P8 Ru4 -","4","0.5","","Laramée-Milette, Baptiste; Hanan, Garry S.","Ruthenium bistridentate complexes with non-symmetrical hexahydro-pyrimidopyrimidine ligands: a structural and theoretical investigation of their optical and electrochemical properties.","Dalton transactions (Cambridge, England : 2003)","2016","45","31","12507","12517","10.1039/c6dt02408d","","","1.34139","GaKα","","0.0358","0.0354","","","0.0944","0.0947","","","","","","1.076","","","","has coordinates,has disorder","185469","2020-10-21","18:00:00",""
"7039901","13.4632","0.0003","17.4582","0.0005","19.4702","0.0005","69.392","0.001","80.492","0.001","79.524","0.001","4186.57","0.19","100","2","100","","","","","","","","","7","P -1","-P 1","2","","","","- C41 H40 F12 N8 O P2 Ru -","- C41 H40 F12 N8 O P2 Ru -","- C164 H160 F48 N32 O4 P8 Ru4 -","4","2","","Laramée-Milette, Baptiste; Hanan, Garry S.","Ruthenium bistridentate complexes with non-symmetrical hexahydro-pyrimidopyrimidine ligands: a structural and theoretical investigation of their optical and electrochemical properties.","Dalton transactions (Cambridge, England : 2003)","2016","45","31","12507","12517","10.1039/c6dt02408d","","","1.3418","GaKα","","0.0357","0.0331","","","0.0835","0.0857","","","","","","1.037","","","","has coordinates","208944","2020-10-21","18:00:00",""
"7039902","22.1907","0.0006","8.1133","0.0002","24.9115","0.0006","90","","104.456","0.002","90","","4343.06","0.19","100","2","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C44 H45 F12 N11 P2 Ru -","- C44 H45 F12 N11 P2 Ru -","- C176 H180 F48 N44 P8 Ru4 -","4","1","","Laramée-Milette, Baptiste; Hanan, Garry S.","Ruthenium bistridentate complexes with non-symmetrical hexahydro-pyrimidopyrimidine ligands: a structural and theoretical investigation of their optical and electrochemical properties.","Dalton transactions (Cambridge, England : 2003)","2016","45","31","12507","12517","10.1039/c6dt02408d","","","1.54178","CuKα","","0.077","0.0621","","","0.1554","0.1659","","","","","","1.067","","","","has coordinates","185469","2020-10-21","18:00:00",""
"7039903","8.9134","0.0008","9.3811","0.0007","30.975","0.003","95.76","0.004","97.978","0.005","96.792","0.004","2529","0.4","100","","100","","","","","","","","see text","7","P -1","-P 1","2","","Compound_L1","","- C53 H36 F12 N10 O P2 Ru -","- C53 H36 F12 N10 O P2 Ru -","- C106 H72 F24 N20 O2 P4 Ru2 -","2","1","","Schmidt, Andrea; Hollering, Manuela; Han, Jiaying; Casini, Angela; Kühn, Fritz E","Self-assembly of highly luminescent heteronuclear coordination cages.","Dalton transactions (Cambridge, England : 2003)","2016","45","31","12297","12300","10.1039/c6dt02708c","","x-ray","0.71073","MoKα","","0.0531","0.0382","","","0.0765","0.0815","","","","","","1.031","","","","has coordinates,has disorder","185470","2020-10-21","18:00:00",""
"7039904","12.9744","0.0006","17.1766","0.0007","34.6304","0.0013","90","","90","","90","","7717.6","0.6","296.15","","296.15","","","","","","","","","5","P b c a","-P 2ac 2ab","61","UO2(Salophen)tBu","","","- C36.5 H50 N2 O5.5 U -","- C36 H48 N2 O5 U -","- C288 H384 N16 O40 U8 -","8","1","","Herasymchuk, Khrystyna; Chiang, Linus; Hayes, Cassandra E.; Brown, Matthew L.; Ovens, Jeffrey S.; Patrick, Brian O.; Leznoff, Daniel B.; Storr, Tim","Synthesis and electronic structure determination of uranium(vi) ligand radical complexes.","Dalton transactions (Cambridge, England : 2003)","2016","45","31","12576","12586","10.1039/c6dt02089e","","x-ray","1.54178","CuKα","","0.0774","0.0681","","","0.1896","0.1937","","","","","","0.993","","","","has coordinates","185461","2020-10-21","18:00:00",""
"7039905","9.4679","0.0004","10.7796","0.0005","30.4674","0.0014","90","","91.856","0.003","90","","3107.9","0.2","150","2","149.97","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","UO2(Salophen)OMe","","","- C61 H73 Cl3 N4 O14 U2 -","- C61 H73 Cl3 N4 O14 U2 -","- C122 H146 Cl6 N8 O28 U4 -","2","0.5","","Herasymchuk, Khrystyna; Chiang, Linus; Hayes, Cassandra E.; Brown, Matthew L.; Ovens, Jeffrey S.; Patrick, Brian O.; Leznoff, Daniel B.; Storr, Tim","Synthesis and electronic structure determination of uranium(vi) ligand radical complexes.","Dalton transactions (Cambridge, England : 2003)","2016","45","31","12576","12586","10.1039/c6dt02089e","","x-ray","1.54178","CuKα","","0.063","0.0559","","","0.1264","0.1285","","","","","","1.188","","","","has coordinates,has disorder","185461","2020-10-21","18:00:00",""
"7039906","12.066","0.0005","18.279","0.0008","20.89","0.001","90","","91.469","0.002","90","","4605.9","0.4","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C50 H58 B Mn N4 O4 -","- C50 H58 B Mn N4 O4 -","- C200 H232 B4 Mn4 N16 O16 -","4","1","","Realista, S.; Fitzpatrick, A. J.; Santos, G.; Ferreira, L. P.; Barroso, S.; Pereira, L. C. J.; Bandeira, N. A. G.; Neugebauer, P.; Hrubý, J; Morgan, G. G.; van Slageren, J.; Calhorda, M. J.; Martinho, P. N.","A Mn(iii) single ion magnet with tridentate Schiff-base ligands.","Dalton transactions (Cambridge, England : 2003)","2016","45","31","12301","12307","10.1039/c6dt02538b","","x-ray","0.71073","MoKα","","0.0456","0.0349","","","0.0901","0.0944","","","","","","1.068","","","","has coordinates","185464","2020-10-21","18:00:00",""
"7039907","9.35","0.006","9.729","0.006","12.896","0.008","71.764","0.009","88.354","0.009","62.175","0.007","975.7","1.1","296","2","296.15","","","","","","","","","5","P -1","-P 1","2","","","","- C17 H16 Eu N O10 -","- C17 H16 Eu N O10 -","- C34 H32 Eu2 N2 O20 -","2","1","","Ning, Yan; Wang, Lu; Yang, Guo-Ping; Wu, Yunlong; Bai, Nannan; Zhang, Wenyan; Wang, Yao-Yu","Four new lanthanide-organic frameworks: selective luminescent sensing and magnetic properties.","Dalton transactions (Cambridge, England : 2003)","2016","45","32","12800","12806","10.1039/c6dt01393g","","","0.71073","MoKα","","0.0335","0.0324","","","0.0903","0.0929","","","","","","1.094","","","","has coordinates","186425","2020-10-21","18:00:00",""
"7039908","9.3748","0.0011","9.6792","0.0011","12.9726","0.0015","71.929","0.002","88.728","0.002","62.152","0.002","978.9","0.2","296","2","296.15","","","","","","","","","5","P -1","-P 1","2","","","","- C17 H16 N O10 Tb -","- C17 H16 N O10 Tb -","- C34 H32 N2 O20 Tb2 -","2","1","","Ning, Yan; Wang, Lu; Yang, Guo-Ping; Wu, Yunlong; Bai, Nannan; Zhang, Wenyan; Wang, Yao-Yu","Four new lanthanide-organic frameworks: selective luminescent sensing and magnetic properties.","Dalton transactions (Cambridge, England : 2003)","2016","45","32","12800","12806","10.1039/c6dt01393g","","","0.71073","MoKα","","0.0268","0.0242","","","0.0606","0.0639","","","","","","1.089","","","","has coordinates","186425","2020-10-21","18:00:00",""
"7039909","9.365","0.004","9.648","0.004","12.98","0.005","72.191","0.006","89.08","0.005","62.247","0.005","977","0.7","296","2","296.15","","","","","","","","","5","P -1","-P 1","2","","","","- C17 H16 Dy N O10 -","- C17 H16 Dy N O10 -","- C34 H32 Dy2 N2 O20 -","2","1","","Ning, Yan; Wang, Lu; Yang, Guo-Ping; Wu, Yunlong; Bai, Nannan; Zhang, Wenyan; Wang, Yao-Yu","Four new lanthanide-organic frameworks: selective luminescent sensing and magnetic properties.","Dalton transactions (Cambridge, England : 2003)","2016","45","32","12800","12806","10.1039/c6dt01393g","","","0.71073","MoKα","","0.0343","0.0316","","","0.0828","0.0889","","","","","","1.122","","","","has coordinates","186425","2020-10-21","18:00:00",""
"7039910","9.3793","0.001","9.7001","0.0011","12.9527","0.0014","71.987","0.002","88.658","0.002","62.268","0.001","981.74","0.19","296","2","296.15","","","","","","","","","5","P -1","-P 1","2","","","","- C17 H16 Gd N O10 -","- C17 H16 Gd N O10 -","- C34 H32 Gd2 N2 O20 -","2","1","","Ning, Yan; Wang, Lu; Yang, Guo-Ping; Wu, Yunlong; Bai, Nannan; Zhang, Wenyan; Wang, Yao-Yu","Four new lanthanide-organic frameworks: selective luminescent sensing and magnetic properties.","Dalton transactions (Cambridge, England : 2003)","2016","45","32","12800","12806","10.1039/c6dt01393g","","","0.71073","MoKα","","0.0297","0.0287","","","0.0834","0.0881","","","","","","1.162","","","","has coordinates","186425","2020-10-21","18:00:00",""
"7039911","12.964","0.002","25.188","0.005","19.282","0.003","90","","93.209","0.002","90","","6286.4","1.9","296","2","296","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C30 H37 Mo11 N6 O40 P Zn -","- C30 H30 Mo11 N6 O40 P Zn -","- C120 H120 Mo44 N24 O160 P4 Zn4 -","4","1","","Miao, Hao; Dong, Yayu; Chen, Ziwang; He, Xingxiang; Hu, Gonghao; Xu, Yan","Design, synthesis and excellent third-order NLO properties of two new polyoxometalates constructed from Keggin polyanions bonded by a solvent molecule.","Dalton transactions (Cambridge, England : 2003)","2016","45","32","12717","12722","10.1039/c6dt02320g","","","0.71073","MoKα","","0.1761","0.0698","","","0.127","0.149","","","","","","1.009","","","","has coordinates","186428","2020-10-21","18:00:00",""
"7039912","13.509","0.002","17.921","0.003","26.488","0.005","90","","90","","90","","6412.6","1.9","296","2","296","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C28.5 H39 Co N5 O40.5 P W11 -","- C28.5 H31 Co N5 O40.5 P W11 -","- C114 H124 Co4 N20 O162 P4 W44 -","4","1","","Miao, Hao; Dong, Yayu; Chen, Ziwang; He, Xingxiang; Hu, Gonghao; Xu, Yan","Design, synthesis and excellent third-order NLO properties of two new polyoxometalates constructed from Keggin polyanions bonded by a solvent molecule.","Dalton transactions (Cambridge, England : 2003)","2016","45","32","12717","12722","10.1039/c6dt02320g","","","0.71073","MoKα","","0.0908","0.0534","","","0.1407","0.161","","","","","","1.048","","","","has coordinates,has disorder","186428","2020-10-21","18:00:00",""
"7039913","13.8465","0.001","14.2314","0.0008","15.3249","0.0012","73.403","0.005","79.675","0.004","70.236","0.004","2712.1","0.3","150","2","150","2","","","","","","","","9","P -1","-P 1","2","","","","- C53 H50 F6 Fe N3 O6 P3 S2 Si -","- C53 H50 F6 Fe N3 O6 P3 S2 Si -","- C106 H100 F12 Fe2 N6 O12 P6 S4 Si2 -","2","1","","Aloisi, Alicia; Berthet, Jean-Claude; Genre, Caroline; Thuéry, Pierre; Cantat, Thibault","Complexes of the tripodal phosphine ligands PhSi(XPPh2)3 (X = CH2, O): synthesis, structure and catalytic activity in the hydroboration of CO2.","Dalton transactions (Cambridge, England : 2003)","2016","45","37","14774","14788","10.1039/c6dt02135b","","","0.71073","MoKα","","0.1114","0.0572","","","0.1342","0.1528","","","","","","1.021","","","","has coordinates,has disorder","187137","2020-10-21","18:00:00",""
"7039914","13.2856","0.0005","23.6456","0.0009","17.1543","0.0004","90","","102.994","0.002","90","","5251","0.3","150","2","150","2","","","","","","","","9","P 1 21/c 1","-P 2ybc","14","","","","- C50 H44 F6 Fe N3 O9 P3 S2 Si -","- C50 H44 F6 Fe N3 O9 P3 S2 Si -","- C200 H176 F24 Fe4 N12 O36 P12 S8 Si4 -","4","1","","Aloisi, Alicia; Berthet, Jean-Claude; Genre, Caroline; Thuéry, Pierre; Cantat, Thibault","Complexes of the tripodal phosphine ligands PhSi(XPPh2)3 (X = CH2, O): synthesis, structure and catalytic activity in the hydroboration of CO2.","Dalton transactions (Cambridge, England : 2003)","2016","45","37","14774","14788","10.1039/c6dt02135b","","","0.71073","MoKα","","0.0517","0.0374","","","0.0899","0.0954","","","","","","1.026","","","","has coordinates","187137","2020-10-21","18:00:00",""
"7039915","13.5425","0.0009","13.5858","0.0005","24.5419","0.0017","90","","105.036","0.004","90","","4360.8","0.5","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C45 H41 Cl2 Co P3 Si -","- C45 H41 Cl2 Co P3 Si -","- C180 H164 Cl8 Co4 P12 Si4 -","4","1","","Aloisi, Alicia; Berthet, Jean-Claude; Genre, Caroline; Thuéry, Pierre; Cantat, Thibault","Complexes of the tripodal phosphine ligands PhSi(XPPh2)3 (X = CH2, O): synthesis, structure and catalytic activity in the hydroboration of CO2.","Dalton transactions (Cambridge, England : 2003)","2016","45","37","14774","14788","10.1039/c6dt02135b","","","0.71073","MoKα","","0.0942","0.0505","","","0.101","0.112","","","","","","0.983","","","","has coordinates","187137","2020-10-21","18:00:00",""
"7039916","9.8162","0.0003","20.6578","0.0007","19.176","0.0007","90","","101.21","0.002","90","","3814.3","0.2","150","2","150","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C42 H35 Cl2 Co O3 P3 Si -","- C42 H35 Cl2 Co O3 P3 Si -","- C168 H140 Cl8 Co4 O12 P12 Si4 -","4","1","","Aloisi, Alicia; Berthet, Jean-Claude; Genre, Caroline; Thuéry, Pierre; Cantat, Thibault","Complexes of the tripodal phosphine ligands PhSi(XPPh2)3 (X = CH2, O): synthesis, structure and catalytic activity in the hydroboration of CO2.","Dalton transactions (Cambridge, England : 2003)","2016","45","37","14774","14788","10.1039/c6dt02135b","","","0.71073","MoKα","","0.057","0.0386","","","0.0991","0.1058","","","","","","1.066","","","","has coordinates","187137","2020-10-21","18:00:00",""
"7039917","10.2468","0.0008","14.6429","0.0011","17.7472","0.0007","90","","97.487","0.004","90","","2640.1","0.3","150","2","150","2","","","","","","","","7","P 1 n 1","P -2yac","7","","","","- C57 H65 Br Cu O3 P3 Si -","- C57 H65 Br Cu O3 P3 Si -","- C114 H130 Br2 Cu2 O6 P6 Si2 -","2","1","","Aloisi, Alicia; Berthet, Jean-Claude; Genre, Caroline; Thuéry, Pierre; Cantat, Thibault","Complexes of the tripodal phosphine ligands PhSi(XPPh2)3 (X = CH2, O): synthesis, structure and catalytic activity in the hydroboration of CO2.","Dalton transactions (Cambridge, England : 2003)","2016","45","37","14774","14788","10.1039/c6dt02135b","","","0.71073","MoKα","","0.0697","0.0596","","","0.155","0.1614","","","","","","1.062","","","","has coordinates","187137","2020-10-21","18:00:00",""
"7039918","19.0061","0.0003","21.5469","0.0005","21.4927","0.0005","90","","90","","90","","8801.7","0.3","150","2","150","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C46 H43 Cu I O4 P3 Si -","- C46 H43 Cu I O4 P3 Si -","- C368 H344 Cu8 I8 O32 P24 Si8 -","8","1","","Aloisi, Alicia; Berthet, Jean-Claude; Genre, Caroline; Thuéry, Pierre; Cantat, Thibault","Complexes of the tripodal phosphine ligands PhSi(XPPh2)3 (X = CH2, O): synthesis, structure and catalytic activity in the hydroboration of CO2.","Dalton transactions (Cambridge, England : 2003)","2016","45","37","14774","14788","10.1039/c6dt02135b","","","0.71073","MoKα","","0.0487","0.0349","","","0.0927","0.0977","","","","","","1.059","","","","has coordinates","187137","2020-10-21","18:00:00",""
"7039919","22.3076","0.001","8.4153","0.0003","21.183","0.001","90","","118.621","0.002","90","","3490.7","0.3","150","2","150","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C32 H32 Cu2 I2 N4 O P2 -","- C32 H32 Cu2 I2 N4 O P2 -","- C128 H128 Cu8 I8 N16 O4 P8 -","4","0.5","","Aloisi, Alicia; Berthet, Jean-Claude; Genre, Caroline; Thuéry, Pierre; Cantat, Thibault","Complexes of the tripodal phosphine ligands PhSi(XPPh2)3 (X = CH2, O): synthesis, structure and catalytic activity in the hydroboration of CO2.","Dalton transactions (Cambridge, England : 2003)","2016","45","37","14774","14788","10.1039/c6dt02135b","","","0.71073","MoKα","","0.0412","0.0321","","","0.0832","0.0859","","","","","","1.064","","","","has coordinates","187137","2020-10-21","18:00:00",""
"7039920","22.297","0.0004","22.297","0.0004","22.297","0.0004","90","","90","","90","","11085.1","0.3","150","2","150","2","","","","","","","","7","P a -3","-P 2ac 2ab 3","205","","","","- C54 H45 Cl Cu O6 P3 Si3 -","- C54 H45 Cl Cu O6 P3 Si3 -","- C432 H360 Cl8 Cu8 O48 P24 Si24 -","8","0.333333","","Aloisi, Alicia; Berthet, Jean-Claude; Genre, Caroline; Thuéry, Pierre; Cantat, Thibault","Complexes of the tripodal phosphine ligands PhSi(XPPh2)3 (X = CH2, O): synthesis, structure and catalytic activity in the hydroboration of CO2.","Dalton transactions (Cambridge, England : 2003)","2016","45","37","14774","14788","10.1039/c6dt02135b","","","0.71073","MoKα","","0.068","0.0469","","","0.1234","0.1297","","","","","","1.099","","","","has coordinates","187137","2020-10-21","18:00:00",""
"7039921","26.1873","0.0011","11.4472","0.0004","10.4756","0.0004","90","","93.328","0.004","90","","3135","0.2","123","2","123","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C32 H20 F17 N3 O -","- C32 H20 F17 N3 O -","- C128 H80 F68 N12 O4 -","4","1","","Tatikonda, Rajendhraprasad; Bhowmik, Sandip; Rissanen, Kari; Haukka, Matti; Cametti, Massimo","Metallogel formation in aqueous DMSO by perfluoroalkyl decorated terpyridine ligands.","Dalton transactions (Cambridge, England : 2003)","2016","45","32","12756","12762","10.1039/c6dt02008a","","","1.54184","CuKα","","0.0646","0.047","","","0.1231","0.1322","","","","","","1.05","","","","has coordinates","186435","2020-10-21","18:00:00",""
"7039922","7.6578","0.0003","10.7944","0.0004","20.9475","0.001","96.942","0.004","92.184","0.004","95.173","0.003","1709.75","0.12","100","","100","","","","","","","","","8","P -1","-P 1","2","","","","- C28 H22 Cl2 F17 N3 O2 S Zn -","- C28 H22 Cl2 F17 N3 O2 S Zn -","- C56 H44 Cl4 F34 N6 O4 S2 Zn2 -","2","1","","Tatikonda, Rajendhraprasad; Bhowmik, Sandip; Rissanen, Kari; Haukka, Matti; Cametti, Massimo","Metallogel formation in aqueous DMSO by perfluoroalkyl decorated terpyridine ligands.","Dalton transactions (Cambridge, England : 2003)","2016","45","32","12756","12762","10.1039/c6dt02008a","","","0.71073","MoKα","","0.05","0.0365","","","0.0789","0.0848","","","","","","1.032","","","","has coordinates","186435","2020-10-21","18:00:00",""
"7039923","13.3556","0.0002","13.2198","0.0002","38.0862","0.0005","90","","97.077","0.0014","90","","6673.21","0.17","120","2","120","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C28 H19 Cl2 F17 Hg N4 O -","- C28 H19 Cl2 F17 Hg N4 O -","- C224 H152 Cl16 F136 Hg8 N32 O8 -","8","1","","Tatikonda, Rajendhraprasad; Bhowmik, Sandip; Rissanen, Kari; Haukka, Matti; Cametti, Massimo","Metallogel formation in aqueous DMSO by perfluoroalkyl decorated terpyridine ligands.","Dalton transactions (Cambridge, England : 2003)","2016","45","32","12756","12762","10.1039/c6dt02008a","","","1.54184","CuKα","","0.0554","0.0543","","","0.1295","0.1301","","","","","","1.073","","","","has coordinates,has disorder","186435","2020-10-21","18:00:00",""
"7039924","7.66921","0.00015","10.9302","0.0002","20.8875","0.0005","97.0241","0.0017","91.409","0.0017","94.9834","0.0016","1730.11","0.06","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C28 H22 Br2 F17 N3 O2 S Zn -","- C28 H22 Br2 F17 N3 O2 S Zn -","- C56 H44 Br4 F34 N6 O4 S2 Zn2 -","2","1","","Tatikonda, Rajendhraprasad; Bhowmik, Sandip; Rissanen, Kari; Haukka, Matti; Cametti, Massimo","Metallogel formation in aqueous DMSO by perfluoroalkyl decorated terpyridine ligands.","Dalton transactions (Cambridge, England : 2003)","2016","45","32","12756","12762","10.1039/c6dt02008a","","","0.71073","MoKα","","0.0296","0.0256","","","0.0595","0.0615","","","","","","1.051","","","","has coordinates","186435","2020-10-21","18:00:00",""
"7039925","27.309","0.004","12.4387","0.0018","10.4959","0.0013","90","","97.544","0.011","90","","3534.5","0.9","100","2","100","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C28 H22 Cl2 Cu F17 N3 O2 S -","- C28 H22 Cl2 Cu F17 N3 O2 S -","- C112 H88 Cl8 Cu4 F68 N12 O8 S4 -","4","1","","Tatikonda, Rajendhraprasad; Bhowmik, Sandip; Rissanen, Kari; Haukka, Matti; Cametti, Massimo","Metallogel formation in aqueous DMSO by perfluoroalkyl decorated terpyridine ligands.","Dalton transactions (Cambridge, England : 2003)","2016","45","32","12756","12762","10.1039/c6dt02008a","","","0.71073","MoKα","","0.1736","0.0909","","","0.2018","0.2495","","","","","","1.011","","","","has coordinates,has disorder","186435","2020-10-21","18:00:00",""
"7039926","36.819","0.006","8.5131","0.0015","22.168","0.004","90","","123.341","0.005","90","","5804.8","1.8","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C32 H27 Cu N5 O7 -","- C29 H20 Cu N4 O6 -","- C232 H160 Cu8 N32 O48 -","8","1","","Paul, Anup; Ribeiro, Ana P. C.; Karmakar, Anirban; Guedes da Silva, M Fátima C; Pombeiro, Armando J. L.","A Cu(ii) MOF with a flexible bifunctionalised terpyridine as an efficient catalyst for the single-pot hydrocarboxylation of cyclohexane to carboxylic acid in water/ionic liquid medium.","Dalton transactions (Cambridge, England : 2003)","2016","45","32","12779","12789","10.1039/c6dt01852a","","","0.71073","MoKα","","0.1516","0.0828","","","0.2238","0.2825","","","","","","0.861","","","","has coordinates","186424","2020-10-21","18:00:00",""
"7039927","9.2819","0.0007","19.2352","0.0014","21.4352","0.0015","90","","90","","90","","3827","0.5","123","2","123","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C34 H36 B2 F8 Fe N14 O3 -","- C34 H36 B2 F8 Fe N14 O3 -","- C136 H144 B8 F32 Fe4 N56 O12 -","4","1","","Huang, Wei; Shen, Fuxing; Zhang, Ming; Wu, Dayu; Pan, Feifei; Sato, Osamu","Room-temperature switching of magnetic hysteresis by reversible single-crystal-to-single-crystal solvent exchange in imidazole-inspired Fe(ii) complexes.","Dalton transactions (Cambridge, England : 2003)","2016","45","38","14911","14918","10.1039/c6dt01777k","","","0.71073","MoKα","","0.09","0.0666","","","0.1676","0.1852","","","","","","1.157","","","","has coordinates","187056","2020-10-21","18:00:00",""
"7039928","19.426","0.006","9.389","0.003","10.942","0.004","90","","90","","90","","1995.7","1.1","298","2","298","2","","","","","","","","7","P 21 21 2","P 2 2ab","18","","","","- C34 H36 B2 F8 Fe N14 O3 -","- C34 H34 B2 F8 Fe N14 O3 -","- C68 H68 B4 F16 Fe2 N28 O6 -","2","0.5","","Huang, Wei; Shen, Fuxing; Zhang, Ming; Wu, Dayu; Pan, Feifei; Sato, Osamu","Room-temperature switching of magnetic hysteresis by reversible single-crystal-to-single-crystal solvent exchange in imidazole-inspired Fe(ii) complexes.","Dalton transactions (Cambridge, England : 2003)","2016","45","38","14911","14918","10.1039/c6dt01777k","","","0.71073","MoKα","","0.1024","0.084","","","0.2182","0.2389","","","","","","1.031","","","","has coordinates,has disorder","187056","2020-10-21","18:00:00",""
"7039929","9.322","0.0019","19.465","0.004","21.148","0.004","90","","90","","90","","3837.4","1.3","123","2","123","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C30 H32 B2 F8 Fe N14 O5 -","- C30 H26 B2 F8 Fe N14 O5.05 -","- C120 H104 B8 F32 Fe4 N56 O20.2 -","4","1","","Huang, Wei; Shen, Fuxing; Zhang, Ming; Wu, Dayu; Pan, Feifei; Sato, Osamu","Room-temperature switching of magnetic hysteresis by reversible single-crystal-to-single-crystal solvent exchange in imidazole-inspired Fe(ii) complexes.","Dalton transactions (Cambridge, England : 2003)","2016","45","38","14911","14918","10.1039/c6dt01777k","","","0.71073","MoKα","","0.0909","0.0707","","","0.1677","0.1853","","","","","","1.02","","","","has coordinates","187056","2020-10-21","18:00:00",""
"7039930","9.4524","0.0019","19.536","0.004","21.598","0.004","90","","90","","90","","3988.3","1.4","298","2","298","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C30 H32 B2 F8 Fe N14 O5 -","- C30 H23 B2 F8 Fe N14 O4.45 -","- C120 H92 B8 F32 Fe4 N56 O17.8 -","4","1","","Huang, Wei; Shen, Fuxing; Zhang, Ming; Wu, Dayu; Pan, Feifei; Sato, Osamu","Room-temperature switching of magnetic hysteresis by reversible single-crystal-to-single-crystal solvent exchange in imidazole-inspired Fe(ii) complexes.","Dalton transactions (Cambridge, England : 2003)","2016","45","38","14911","14918","10.1039/c6dt01777k","","","0.71073","MoKα","","0.2754","0.085","","","0.1979","0.2313","","","","","","0.603","","","","has coordinates","187056","2020-10-21","18:00:00",""
"7039931","12.6083","0.0007","12.3265","0.0007","8.986","0.0005","90","","104.506","0.001","90","","1352.05","0.13","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H12 K N O7 -","- C12 H12 K N O7 -","- C48 H48 K4 N4 O28 -","4","1","","Brady, Michael; Piombo, Sebastian D.; Hu, Chunhua; Buccella, Daniela","Structural and spectroscopic insight into the metal binding properties of the o-aminophenol-N,N,O-triacetic acid (APTRA) chelator: implications for design of metal indicators.","Dalton transactions (Cambridge, England : 2003)","2016","45","31","12458","12464","10.1039/c6dt01557c","","","0.71073","MoKα","","0.0401","0.0299","","","0.0692","0.0748","","","","","","1.038","","","","has coordinates,has disorder","185457","2020-10-21","18:00:00",""
"7039932","24.2955","0.0012","9.4801","0.0004","18.5395","0.0009","90","","103.947","0.001","90","","4144.2","0.3","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C28 H52 Mg3 N2 O28 -","- C28 H52 Mg3 N2 O28 -","- C112 H208 Mg12 N8 O112 -","4","0.5","","Brady, Michael; Piombo, Sebastian D.; Hu, Chunhua; Buccella, Daniela","Structural and spectroscopic insight into the metal binding properties of the o-aminophenol-N,N,O-triacetic acid (APTRA) chelator: implications for design of metal indicators.","Dalton transactions (Cambridge, England : 2003)","2016","45","31","12458","12464","10.1039/c6dt01557c","","","0.71073","MoKα","","0.0489","0.0399","","","0.0911","0.0953","","","","","","1.025","","","","has coordinates","185457","2020-10-21","18:00:00",""
"7039933","8.4079","0.0005","11.2214","0.0007","12.0301","0.0008","108.373","0.001","104.99","0.001","96.6152","0.0011","1016.26","0.11","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C12 H22 Ca2 Cl N O13 -","- C12 H22 Ca2 Cl N O13 -","- C24 H44 Ca4 Cl2 N2 O26 -","2","1","","Brady, Michael; Piombo, Sebastian D.; Hu, Chunhua; Buccella, Daniela","Structural and spectroscopic insight into the metal binding properties of the o-aminophenol-N,N,O-triacetic acid (APTRA) chelator: implications for design of metal indicators.","Dalton transactions (Cambridge, England : 2003)","2016","45","31","12458","12464","10.1039/c6dt01557c","","","0.71073","MoKα","","0.064","0.0435","","","0.0983","0.1057","","","","","","1.02","","","","has coordinates","185457","2020-10-21","18:00:00",""
"7039934","9.296","0.0003","18.4231","0.0007","24.482","0.0009","90","","90.0021","0.0006","90","","4192.8","0.3","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C28 H52 N2 O28 Zn3 -","- C28 H52 N2 O28 Zn3 -","- C112 H208 N8 O112 Zn12 -","4","1","","Brady, Michael; Piombo, Sebastian D.; Hu, Chunhua; Buccella, Daniela","Structural and spectroscopic insight into the metal binding properties of the o-aminophenol-N,N,O-triacetic acid (APTRA) chelator: implications for design of metal indicators.","Dalton transactions (Cambridge, England : 2003)","2016","45","31","12458","12464","10.1039/c6dt01557c","","","0.71073","MoKα","","0.0513","0.0428","","","0.1188","0.1241","","","","","","1.053","","","","has coordinates,has disorder","185457","2020-10-21","18:00:00",""
"7039935","20.761","0.004","39.03","0.008","32.261","0.007","90","","92.37","0.03","90","","26119","9","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C257 H338 Ag8 Au8 Cl2 -","- C257 H338 Ag8 Au8 Cl2 -","- C1028 H1352 Ag32 Au32 Cl8 -","4","1","","Zhang, Rui; Zhao, Chongyang; Li, Xiumin; Zhang, Zongyao; Ai, Xicheng; Chen, Hui; Cao, Rui","A homoleptic, all-alkynyl-stabilized highly luminescent Au8Ag8 cluster with a single crystal X-ray structure.","Dalton transactions (Cambridge, England : 2003)","2016","45","32","12772","12778","10.1039/c6dt02187e","","","0.71073","MoKα","","0.078","0.0652","","","0.1744","0.187","","","","","","1.123","","","","has coordinates,has disorder","186426","2020-10-21","18:00:00",""
"7039936","9.2356","0.0006","12.7366","0.0008","28.0258","0.0019","80.454","0.002","83.007","0.002","69.185","0.002","3031.8","0.3","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C34 H36 Au P -","- C34 H36 Au P -","- C136 H144 Au4 P4 -","4","2","","Zhang, Rui; Zhao, Chongyang; Li, Xiumin; Zhang, Zongyao; Ai, Xicheng; Chen, Hui; Cao, Rui","A homoleptic, all-alkynyl-stabilized highly luminescent Au8Ag8 cluster with a single crystal X-ray structure.","Dalton transactions (Cambridge, England : 2003)","2016","45","32","12772","12778","10.1039/c6dt02187e","","","0.71073","MoKα","","0.0692","0.0567","","","0.1518","0.1609","","","","","","1.063","","","","has coordinates","186426","2020-10-21","18:00:00",""
"7039937","10.69567","0.00012","18.1994","0.00019","11.90927","0.00011","90","","94.0727","0.0009","90","","2312.34","0.04","123.01","0.1","123.01","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C50 H42 Li2 P4 S6 -","- C50 H42 Li2 P4 S6 -","- C100 H84 Li4 P8 S12 -","2","0.5","","Thirumoorthi, Ramalingam; Chivers, Tristram; Häggman, Susanna; Mansikkamäki, Akseli; Morgan, Ian S.; Tuononen, Heikki M.; Lahtinen, Manu; Konu, Jari","Synthesis of a labile sulfur-centred ligand, [S(H)C(PPh2S)2](-): structural diversity in lithium(i), zinc(ii) and nickel(ii) complexes.","Dalton transactions (Cambridge, England : 2003)","2016","45","32","12691","12701","10.1039/c6dt02565j","","x-ray","1.54184","CuKα","","0.0424","0.0369","","","0.0949","0.0986","","","","","","1.051","","","","has coordinates,has disorder","186433","2020-10-21","18:00:00",""
"7039938","11.06","0.0003","15.706","0.0004","16.866","0.0004","90","","106.262","0.001","90","","2812.55","0.12","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C64 H58 Ni P4 S6 -","- C64 H58 Ni P4 S6 -","- C128 H116 Ni2 P8 S12 -","2","0.5","","Thirumoorthi, Ramalingam; Chivers, Tristram; Häggman, Susanna; Mansikkamäki, Akseli; Morgan, Ian S.; Tuononen, Heikki M.; Lahtinen, Manu; Konu, Jari","Synthesis of a labile sulfur-centred ligand, [S(H)C(PPh2S)2](-): structural diversity in lithium(i), zinc(ii) and nickel(ii) complexes.","Dalton transactions (Cambridge, England : 2003)","2016","45","32","12691","12701","10.1039/c6dt02565j","","","0.71073","MoKα","","0.0732","0.0596","","","0.1361","0.144","","","","","","1.127","","","","has coordinates","186433","2020-10-21","18:00:00",""
"7039939","9.297","0.005","11.399","0.005","12.389","0.005","75.706","0.005","83.003","0.005","66.213","0.005","1163.9","0.9","123","2","123","2","","","","","","","","5","P -1","-P 1","2","","","","- C50 H42 Ni P4 S6 -","- C50 H42 Ni P4 S6 -","- C50 H42 Ni P4 S6 -","1","0.5","","Thirumoorthi, Ramalingam; Chivers, Tristram; Häggman, Susanna; Mansikkamäki, Akseli; Morgan, Ian S.; Tuononen, Heikki M.; Lahtinen, Manu; Konu, Jari","Synthesis of a labile sulfur-centred ligand, [S(H)C(PPh2S)2](-): structural diversity in lithium(i), zinc(ii) and nickel(ii) complexes.","Dalton transactions (Cambridge, England : 2003)","2016","45","32","12691","12701","10.1039/c6dt02565j","","","0.71069","MoKα","","0.1089","0.0705","","","0.1357","0.1545","","","","","","1.099","","","","has coordinates","186433","2020-10-21","18:00:00",""
"7039940","10.72456","0.00017","18.326","0.0003","11.6699","0.0002","90","","93.7455","0.0016","90","","2288.68","0.07","120.01","0.1","120.01","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C50 H42 P4 S6 Zn -","- C50 H42 P4 S6 Zn -","- C100 H84 P8 S12 Zn2 -","2","0.5","","Thirumoorthi, Ramalingam; Chivers, Tristram; Häggman, Susanna; Mansikkamäki, Akseli; Morgan, Ian S.; Tuononen, Heikki M.; Lahtinen, Manu; Konu, Jari","Synthesis of a labile sulfur-centred ligand, [S(H)C(PPh2S)2](-): structural diversity in lithium(i), zinc(ii) and nickel(ii) complexes.","Dalton transactions (Cambridge, England : 2003)","2016","45","32","12691","12701","10.1039/c6dt02565j","","x-ray","1.54184","CuKα","","0.0654","0.0571","","","0.1304","0.1369","","","","","","1.049","","","","has coordinates","186433","2020-10-21","18:00:00",""
"7039941","13.9326","0.0017","23.424","0.003","25.009","0.003","90","","98.824","0.002","90","","8065.3","1.7","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C73 H86 N7 O31 Tb5 -","- C73 H86 N7 O31 Tb5 -","- C292 H344 N28 O124 Tb20 -","4","1","","Wang, Gaoji; Wei, Yongqin; Wu, Kechen","Goblet-shaped pentanuclear lanthanide clusters assembled with a cyclen derivative ligand exhibiting slow magnetic relaxation.","Dalton transactions (Cambridge, England : 2003)","2016","45","32","12734","12738","10.1039/c6dt02062c","","","0.71073","MoKα","","0.0328","0.028","","","0.0645","0.0671","","","","","","1.037","","","","has coordinates","186436","2020-10-21","18:00:00",""
"7039942","13.9139","0.0014","23.443","0.002","24.984","0.003","90","","98.848","0.002","90","","8052.4","1.4","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C73 H86 Dy5 N7 O31 -","- C73 H86 Dy5 N7 O31 -","- C292 H344 Dy20 N28 O124 -","4","1","","Wang, Gaoji; Wei, Yongqin; Wu, Kechen","Goblet-shaped pentanuclear lanthanide clusters assembled with a cyclen derivative ligand exhibiting slow magnetic relaxation.","Dalton transactions (Cambridge, England : 2003)","2016","45","32","12734","12738","10.1039/c6dt02062c","","","0.71073","MoKα","","0.0512","0.0336","","","0.0956","0.1778","","","","","","1.026","","","","has coordinates","186436","2020-10-21","18:00:00",""
"7039943","11.541","0.005","12.082","0.005","22.805","0.001","90","","94.841","0.006","90","","3168.5","1.9","150","2","150","2","","","","","","","synthesis as described","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H17 N3 O2 Pt -","- C19 H17 N3 O2 Pt -","- C152 H136 N24 O16 Pt8 -","8","2","","Kar, Paramita; Yoshida, Masaki; Kobayashi, Atsushi; Routaboul, Lucie; Braunstein, Pierre; Kato, Masako","Colour tuning by the stepwise synthesis of mononuclear and homo- and hetero-dinuclear platinum(ii) complexes using a zwitterionic quinonoid ligand.","Dalton transactions (Cambridge, England : 2003)","2016","45","36","14080","14088","10.1039/c6dt02328b","","x-ray","0.71075","MoKα","","0.0809","0.0563","","","0.1239","0.138","","","","","","1.026","","","","has coordinates","187126","2020-10-21","18:00:00",""
"7039944","11.925","0.003","23.31","0.005","17.719","0.004","90","","95.191","0.003","90","","4905","2","173","2","173","2","","","","","","","synthesis as described","5","P 1 21/c 1","-P 2ybc","14","","","","- C30 H24 N4 O2 Pt2 -","- C30 H24 N4 O2 Pt2 -","- C240 H192 N32 O16 Pt16 -","8","2","","Kar, Paramita; Yoshida, Masaki; Kobayashi, Atsushi; Routaboul, Lucie; Braunstein, Pierre; Kato, Masako","Colour tuning by the stepwise synthesis of mononuclear and homo- and hetero-dinuclear platinum(ii) complexes using a zwitterionic quinonoid ligand.","Dalton transactions (Cambridge, England : 2003)","2016","45","36","14080","14088","10.1039/c6dt02328b","","x-ray","0.71075","MoKα","","0.0608","0.0484","","","0.1146","0.1254","","","","","","1.028","","","","has coordinates","187126","2020-10-21","18:00:00",""
"7039945","12.039","0.004","23.158","0.007","17.699","0.005","90","","95.09","0.003","90","","4915","3","173","","173","","","","","","","","synthesis as described","6","P 1 21/c 1","-P 2ybc","14","","","","- C30 H24 N4 O2 Pd Pt -","- C30 H24 N4 O2 Pd Pt -","- C240 H192 N32 O16 Pd8 Pt8 -","8","2","","Kar, Paramita; Yoshida, Masaki; Kobayashi, Atsushi; Routaboul, Lucie; Braunstein, Pierre; Kato, Masako","Colour tuning by the stepwise synthesis of mononuclear and homo- and hetero-dinuclear platinum(ii) complexes using a zwitterionic quinonoid ligand.","Dalton transactions (Cambridge, England : 2003)","2016","45","36","14080","14088","10.1039/c6dt02328b","","x-ray","0.689","synchrotron","","0.0707","0.0561","","","0.1492","0.1702","","","","","","1.064","","","","has coordinates","187126","2020-10-21","18:00:00",""
"7039946","10.9975","0.0011","10.0662","0.001","18.303","0.002","90","","105.79","0.003","90","","1949.7","0.3","173.15","","173.15","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Compound-1a","","- C10 H21 Co N2 O12.5 P2 -","- C10 H21 Co N2 O12.5 P2 -","- C40 H84 Co4 N8 O50 P8 -","4","1","","Köhler, C; Rentschler, E.","Functionalized phosphonates as building units for multi-dimensional homo- and heterometallic 3d-4f inorganic-organic hybrid-materials.","Dalton transactions (Cambridge, England : 2003)","2016","45","32","12854","12861","10.1039/c6dt02023b","","x-ray","0.71073","MoKα","","0.0766","0.0383","","","0.0756","0.0831","","","","","","0.883","","","","has coordinates,has disorder","186441","2020-10-21","18:00:00",""
"7039947","10.9582","0.0016","10.0015","0.0011","18.204","0.002","90","","105.491","0.005","90","","1922.7","0.4","173.15","","173.15","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Compound-1b","","- C10 H21 N2 Ni O12.5 P2 -","- C10 H21 N2 Ni O12.5 P2 -","- C40 H84 N8 Ni4 O50 P8 -","4","1","","Köhler, C; Rentschler, E.","Functionalized phosphonates as building units for multi-dimensional homo- and heterometallic 3d-4f inorganic-organic hybrid-materials.","Dalton transactions (Cambridge, England : 2003)","2016","45","32","12854","12861","10.1039/c6dt02023b","","x-ray","0.71073","MoKα","","0.081","0.0449","","","0.0906","0.1036","","","","","","0.985","","","","has coordinates,has disorder","186441","2020-10-21","18:00:00",""
"7039948","10.362","0.003","10.819","0.003","14.686","0.004","104.138","0.007","100.605","0.007","98.755","0.007","1535.3","0.7","296.15","","296.15","","","","","","","","","7","P -1","-P 1","2","","Compound-2","","- C30 H65 Cl4 Gd2 N6 O38 P6 -","- C30 H65 Cl4 Gd2 N6 O38 P6 -","- C30 H65 Cl4 Gd2 N6 O38 P6 -","1","0.5","","Köhler, C; Rentschler, E.","Functionalized phosphonates as building units for multi-dimensional homo- and heterometallic 3d-4f inorganic-organic hybrid-materials.","Dalton transactions (Cambridge, England : 2003)","2016","45","32","12854","12861","10.1039/c6dt02023b","","x-ray","0.71073","MoKα","","0.0875","0.0573","","","0.1378","0.1597","","","","","","1.031","","","","has coordinates,has disorder","186441","2020-10-21","18:00:00",""
"7039949","25.1648","0.0018","17.1628","0.0012","23.0284","0.0018","90","","116.436","0.002","90","","8905.9","1.1","173.15","","173.15","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","Compound-3a","","- C30 H40.5 Co Gd N6 O26.5 P6 -","- C30 H40.5 Co Gd N6 O26.5 P6 -","- C240 H324 Co8 Gd8 N48 O212 P48 -","8","1","","Köhler, C; Rentschler, E.","Functionalized phosphonates as building units for multi-dimensional homo- and heterometallic 3d-4f inorganic-organic hybrid-materials.","Dalton transactions (Cambridge, England : 2003)","2016","45","32","12854","12861","10.1039/c6dt02023b","","x-ray","0.71073","MoKα","","0.0718","0.047","","","0.1146","0.125","","","","","","0.978","","","","has coordinates,has disorder","186441","2020-10-21","18:00:00",""
"7039950","25.1186","0.0012","17.0759","0.0009","22.9551","0.0014","90","","116.06","0.001","90","","8845","0.8","173.15","","173.15","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","Compound-3b","","- C30 H37 Co Dy N6 O26.5 P6 -","- C30 H37 Co Dy N6 O26.5 P6 -","- C240 H296 Co8 Dy8 N48 O212 P48 -","8","1","","Köhler, C; Rentschler, E.","Functionalized phosphonates as building units for multi-dimensional homo- and heterometallic 3d-4f inorganic-organic hybrid-materials.","Dalton transactions (Cambridge, England : 2003)","2016","45","32","12854","12861","10.1039/c6dt02023b","","x-ray","0.71073","MoKα","","0.0998","0.0526","","","0.1037","0.1174","","","","","","0.887","","","","has coordinates,has disorder","186441","2020-10-21","18:00:00",""
"7039951","25.203","0.002","17.0993","0.0014","22.983","0.002","90","","116.064","0.002","90","","8897.3","1.3","173.15","","173.15","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","Compound-3c","","- C30 H37 Co N6 O26 P6 Tb -","- C30 H37 Co N6 O26 P6 Tb -","- C240 H296 Co8 N48 O208 P48 Tb8 -","8","1","","Köhler, C; Rentschler, E.","Functionalized phosphonates as building units for multi-dimensional homo- and heterometallic 3d-4f inorganic-organic hybrid-materials.","Dalton transactions (Cambridge, England : 2003)","2016","45","32","12854","12861","10.1039/c6dt02023b","","x-ray","0.71073","MoKα","","0.1132","0.0689","","","0.1665","0.1916","","","","","","1.03","","","","has coordinates,has disorder","186441","2020-10-21","18:00:00",""
"7039952","22.6611","0.0011","16.9747","0.0008","15.2845","0.0007","90","","106.794","0.002","90","","5628.7","0.5","173.15","","173.15","","","","","","","","","9","C 1 2 1","C 2y","5","","Compound-4","","- C30 H34 Cl Gd N6 Na Ni O27 P6 -","- C30 H34 Cl Gd N6 Na Ni O27 P6 -","- C120 H136 Cl4 Gd4 N24 Na4 Ni4 O108 P24 -","4","1","","Köhler, C; Rentschler, E.","Functionalized phosphonates as building units for multi-dimensional homo- and heterometallic 3d-4f inorganic-organic hybrid-materials.","Dalton transactions (Cambridge, England : 2003)","2016","45","32","12854","12861","10.1039/c6dt02023b","","x-ray","0.71073","MoKα","","0.1152","0.0678","","","0.1571","0.1771","","","","","","0.947","","","","has coordinates,has disorder","186441","2020-10-21","18:00:00",""
"7039953","13.6133","0.0009","13.0066","0.0008","14.3436","0.0009","90","","90","","90","","2539.7","0.3","173.15","","173.15","","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C10 H10 N2 O6 P2 -","- C10 H10 N2 O6 P2 -","- C80 H80 N16 O48 P16 -","8","1","","Köhler, C; Rentschler, E.","Functionalized phosphonates as building units for multi-dimensional homo- and heterometallic 3d-4f inorganic-organic hybrid-materials.","Dalton transactions (Cambridge, England : 2003)","2016","45","32","12854","12861","10.1039/c6dt02023b","","x-ray","0.71073","MoKα","","0.0351","0.0316","","","0.0853","0.0879","","","","","","1.059","","","","has coordinates","186441","2020-10-21","18:00:00",""
"7039954","7.4185","0.001","7.9458","0.001","9.382","0.0012","74.7992","0.0014","79.8889","0.0014","89.0669","0.0015","525.14","0.12","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C5 H14 Cl2 N6 -","- C5 H14 Cl2 N6 -","- C10 H28 Cl4 N12 -","2","1","","Voitekhovich, Sergei V.; Grigoriev, Yuri V.; Lyakhov, Alexander S.; Ivashkevich, Ludmila S.; Ivashkevich, Oleg A.","The first organocopper tetrazole derivative: synthesis and characterization.","Dalton transactions (Cambridge, England : 2003)","2016","45","34","13406","13414","10.1039/c6dt02306a","","","0.71073","MoKα","","0.0345","0.0262","","","0.0678","0.0718","","","","","","1.02","","","","has coordinates","186393","2020-10-21","18:00:00",""
"7039955","7.6276","0.0001","10.0143","0.0001","12.513","0.0002","90","","103.055","0.0006","90","","931.1","0.02","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C10 H22 Cl2 Cu2 N12 -","- C10 H22 Cl2 Cu2 N12 -","- C20 H44 Cl4 Cu4 N24 -","2","0.5","","Voitekhovich, Sergei V.; Grigoriev, Yuri V.; Lyakhov, Alexander S.; Ivashkevich, Ludmila S.; Ivashkevich, Oleg A.","The first organocopper tetrazole derivative: synthesis and characterization.","Dalton transactions (Cambridge, England : 2003)","2016","45","34","13406","13414","10.1039/c6dt02306a","","","0.71073","MoKα","","0.0216","0.0199","","","0.0521","0.0527","","","","","","1.004","","","","has coordinates","186393","2020-10-21","18:00:00",""
"7039956","7.6575","0.0002","10.0729","0.0003","12.618","0.0003","90","","103.134","0.0014","90","","947.81","0.04","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C10 H22 Cl2 Cu2 N12 -","- C10 H22 Cl2 Cu2 N12 -","- C20 H44 Cl4 Cu4 N24 -","2","0.5","","Voitekhovich, Sergei V.; Grigoriev, Yuri V.; Lyakhov, Alexander S.; Ivashkevich, Ludmila S.; Ivashkevich, Oleg A.","The first organocopper tetrazole derivative: synthesis and characterization.","Dalton transactions (Cambridge, England : 2003)","2016","45","34","13406","13414","10.1039/c6dt02306a","","","0.71073","MoKα","","0.042","0.0313","","","0.0811","0.0874","","","","","","1.009","","","","has coordinates","186393","2020-10-21","18:00:00",""
"7039957","23.2189","0.0003","10.471","0.0002","15.3156","0.0002","90","","104.957","0.0006","90","","3597.46","0.1","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C10 H24 Cl2 Cu N12 -","- C10 H24 Cl2 Cu N12 -","- C80 H192 Cl16 Cu8 N96 -","8","1","","Voitekhovich, Sergei V.; Grigoriev, Yuri V.; Lyakhov, Alexander S.; Ivashkevich, Ludmila S.; Ivashkevich, Oleg A.","The first organocopper tetrazole derivative: synthesis and characterization.","Dalton transactions (Cambridge, England : 2003)","2016","45","34","13406","13414","10.1039/c6dt02306a","","","0.71073","MoKα","","0.0185","0.0173","","","0.0476","0.0483","","","","","","1.012","","","","has coordinates","186393","2020-10-21","18:00:00",""
"7039958","23.4624","0.0004","10.4593","0.0002","15.5341","0.0002","90","","105.381","0.0007","90","","3675.53","0.11","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C10 H24 Cl2 Cu N12 -","- C10 H24 Cl2 Cu N12 -","- C80 H192 Cl16 Cu8 N96 -","8","1","","Voitekhovich, Sergei V.; Grigoriev, Yuri V.; Lyakhov, Alexander S.; Ivashkevich, Ludmila S.; Ivashkevich, Oleg A.","The first organocopper tetrazole derivative: synthesis and characterization.","Dalton transactions (Cambridge, England : 2003)","2016","45","34","13406","13414","10.1039/c6dt02306a","","","0.71073","MoKα","","0.0352","0.0256","","","0.0633","0.0679","","","","","","1.032","","","","has coordinates","186393","2020-10-21","18:00:00",""
"7039959","12.7292","0.0002","12.9161","0.0002","14.7031","0.0003","90","","108.651","0.0007","90","","2290.4","0.07","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","aqua-(2,6-bis(2-pyridylmethoxymethyl)pyridine-N,N',N'',O,O')zinc(ii) diperchlorate","","- C19 H21 Cl2 N3 O11 Zn -","- C19 H21 Cl2 N3 O11 Zn -","- C76 H84 Cl8 N12 O44 Zn4 -","4","1","","Tice, Daniel B.; Pike, Robert D.; Bebout, Deborah C.","Contrasting coordination behavior of Group 12 perchlorate salts with an acyclic N3O2 donor ligand by X-ray crystallography and (1)H NMR.","Dalton transactions (Cambridge, England : 2003)","2016","45","32","12871","12883","10.1039/c6dt02322c","","","1.54178","CuKα","","0.027","0.0262","","","0.0696","0.0703","","","","","","1.04","","","","has coordinates","186427","2020-10-21","18:00:00",""
"7039960","12.0993","0.0002","13.5151","0.0002","28.9842","0.0004","90","","90","","90","","4739.59","0.12","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","aqua-(perchlorato-O)(2,6-bis(2-pyridylmethoxymethyl)pyridine-N,N',N'',O,O') cadmium(ii) perchlorate","","- C19 H21 Cd Cl2 N3 O11 -","- C19 H21 Cd Cl2 N3 O11 -","- C152 H168 Cd8 Cl16 N24 O88 -","8","1","","Tice, Daniel B.; Pike, Robert D.; Bebout, Deborah C.","Contrasting coordination behavior of Group 12 perchlorate salts with an acyclic N3O2 donor ligand by X-ray crystallography and (1)H NMR.","Dalton transactions (Cambridge, England : 2003)","2016","45","32","12871","12883","10.1039/c6dt02322c","","","1.54178","CuKα","","0.0239","0.0221","","","0.053","0.0538","","","","","","1.087","","","","has coordinates","186427","2020-10-21","18:00:00",""
"7039961","8.6316","0.0001","14.856","0.0002","18.3136","0.0003","72.618","0.001","83.874","0.001","84.531","0.001","2223.35","0.06","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","(perchlorato-O)(perchlorato-O,O')(2,6-bis(2-pyridylmethoxymethyl)pyridine-N,N',N'',O,O') mercury(ii)","","- C38 H38 Cl4 Hg2 N6 O20 -","- C38 H38 Cl4 Hg2 N6 O20 -","- C76 H76 Cl8 Hg4 N12 O40 -","2","1","","Tice, Daniel B.; Pike, Robert D.; Bebout, Deborah C.","Contrasting coordination behavior of Group 12 perchlorate salts with an acyclic N3O2 donor ligand by X-ray crystallography and (1)H NMR.","Dalton transactions (Cambridge, England : 2003)","2016","45","32","12871","12883","10.1039/c6dt02322c","","","1.54178","CuKα","","0.03","0.0296","","","0.0747","0.075","","","","","","1.178","","","","has coordinates,has disorder","186427","2020-10-21","18:00:00",""
"7039962","11.8779","0.0002","8.5369","0.0001","21.7533","0.0004","90","","95.2","0.001","90","","2196.72","0.06","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","(diperchlorato-O,O')(2,6-bis(2-pyridylmethoxymethyl)pyridine-N,N',N'',O,O') mercury(ii)","","- C19 H19 Cl2 Hg N3 O10 -","- C19 H19 Cl2 Hg N3 O10 -","- C76 H76 Cl8 Hg4 N12 O40 -","4","1","","Tice, Daniel B.; Pike, Robert D.; Bebout, Deborah C.","Contrasting coordination behavior of Group 12 perchlorate salts with an acyclic N3O2 donor ligand by X-ray crystallography and (1)H NMR.","Dalton transactions (Cambridge, England : 2003)","2016","45","32","12871","12883","10.1039/c6dt02322c","","","1.54178","CuKα","","0.0258","0.0244","","","0.0637","0.0645","","","","","","1.034","","","","has coordinates","186427","2020-10-21","18:00:00",""
"7039963","16.418","0.0013","11.0125","0.0008","20.0286","0.0015","90","","110.173","0.004","90","","3399.1","0.5","100","","100","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C33 H29 I2 N3 O2 P2 W -","- C33 H29 I2 N3 O2 P2 W -","- C132 H116 I8 N12 O8 P8 W4 -","4","1","","Aguiar, Sara R M M de; Stöger, Berthold; Pittenauer, Ernst; Allmaier, Günter; Veiros, Luis F.; Kirchner, Karl","Structural diversity of halocarbonyl molybdenum and tungsten PNP pincer complexes through ligand modifications.","Dalton transactions (Cambridge, England : 2003)","2016","45","35","13834","13845","10.1039/c6dt02251k","","x-ray","0.71073","MoKα","","0.0455","0.027","","","0.029","0.031","","","","1.52","1.52","1.45","","","","has coordinates","186376","2020-10-21","18:00:00",""
"7039964","11.07","0.001","12.0262","0.0011","15.6541","0.0014","112.131","0.003","95.118","0.003","106.361","0.003","1807","0.3","100","","100","","","","","","","","","8","P -1","-P 1","2","","","","- C34.5 H32 Br2 Cl3 N3 O2 P2 W -","- C34.5 H32 Br2 Cl3 N3 O2 P2 W -","- C69 H64 Br4 Cl6 N6 O4 P4 W2 -","2","1","","Aguiar, Sara R M M de; Stöger, Berthold; Pittenauer, Ernst; Allmaier, Günter; Veiros, Luis F.; Kirchner, Karl","Structural diversity of halocarbonyl molybdenum and tungsten PNP pincer complexes through ligand modifications.","Dalton transactions (Cambridge, England : 2003)","2016","45","35","13834","13845","10.1039/c6dt02251k","","x-ray","0.71073","MoKα","","0.0331","0.024","","","0.0286","0.03","","","","1.22","1.22","1.18","","","","has coordinates","186376","2020-10-21","18:00:00",""
"7039965","11.5043","0.0013","15.2443","0.0016","19.982","0.003","90","","100.732","0.004","90","","3443","0.7","100","","100","","","","","","","","","9","P 1 21/c 1","-P 2ybc","14","","","","- C28 H33 Cl3 D I2 Mo N3 O2 P2 -","- C28 H33 Cl3 D I2 Mo N3 O2 P2 -","- C112 H132 Cl12 D4 I8 Mo4 N12 O8 P8 -","4","1","","Aguiar, Sara R M M de; Stöger, Berthold; Pittenauer, Ernst; Allmaier, Günter; Veiros, Luis F.; Kirchner, Karl","Structural diversity of halocarbonyl molybdenum and tungsten PNP pincer complexes through ligand modifications.","Dalton transactions (Cambridge, England : 2003)","2016","45","35","13834","13845","10.1039/c6dt02251k","","x-ray","0.71073","MoKα","","0.0514","0.0314","","","0.0353","0.0376","","","","1.66","1.66","1.53","","","","has coordinates","186376","2020-10-21","18:00:00",""
"7039966","11.5163","0.0005","15.1435","0.0007","19.9571","0.0011","90","","100.173","0.001","90","","3425.7","0.3","100","","100","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C27 H33 I2 N3 O2 P2 W -","- C27 H33 I2 N3 O2 P2 W -","- C108 H132 I8 N12 O8 P8 W4 -","4","1","","Aguiar, Sara R M M de; Stöger, Berthold; Pittenauer, Ernst; Allmaier, Günter; Veiros, Luis F.; Kirchner, Karl","Structural diversity of halocarbonyl molybdenum and tungsten PNP pincer complexes through ligand modifications.","Dalton transactions (Cambridge, England : 2003)","2016","45","35","13834","13845","10.1039/c6dt02251k","","x-ray","0.71073","MoKα","","0.0384","0.0284","","","0.0327","0.0339","","","","1.72","1.72","1.61","","","","has coordinates","186376","2020-10-21","18:00:00",""
"7039967","22.2679","0.0006","15.9254","0.0005","15.3571","0.0004","90","","90","","90","","5446","0.3","100","","100","","","","","","","","","7","P b c n","-P 2n 2ab","60","","","","- C21 H37 I2 N3 O2 P2 W -","- C21 H37 I2 N3 O2 P2 W -","- C168 H296 I16 N24 O16 P16 W8 -","8","1","","Aguiar, Sara R M M de; Stöger, Berthold; Pittenauer, Ernst; Allmaier, Günter; Veiros, Luis F.; Kirchner, Karl","Structural diversity of halocarbonyl molybdenum and tungsten PNP pincer complexes through ligand modifications.","Dalton transactions (Cambridge, England : 2003)","2016","45","35","13834","13845","10.1039/c6dt02251k","","x-ray","0.71073","MoKα","","0.0402","0.0261","","","0.0284","0.0307","","","","1.44","1.44","1.37","","","","has coordinates","186376","2020-10-21","18:00:00",""
"7039968","7.866","0.002","12.848","0.003","15.31","0.004","109.881","0.009","94.898","0.008","91.347","0.008","1447.5","0.6","100","","100","","","","","","","","","7","P -1","-P 1","2","","","","- C22 H37 I2 N3 O3 P2 W -","- C22 H37 I2 N3 O3 P2 W -","- C44 H74 I4 N6 O6 P4 W2 -","2","1","","Aguiar, Sara R M M de; Stöger, Berthold; Pittenauer, Ernst; Allmaier, Günter; Veiros, Luis F.; Kirchner, Karl","Structural diversity of halocarbonyl molybdenum and tungsten PNP pincer complexes through ligand modifications.","Dalton transactions (Cambridge, England : 2003)","2016","45","35","13834","13845","10.1039/c6dt02251k","","x-ray","0.71073","MoKα","","0.0517","0.0298","","","0.03","0.0318","","","","1.22","1.22","1.1","","","","has coordinates","186376","2020-10-21","18:00:00",""
"7039969","17.5238","0.0006","21.4858","0.0005","22.2555","0.0007","106.51","0.002","105.257","0.003","105.879","0.002","7180","0.4","296.44","0.1","296.44","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C112 H121 N52 O38 U2 -","- C112 H121 N52 O38 U2 -","- C224 H242 N104 O76 U4 -","2","1","","Mei, Lei; Xie, Zhen-Ni; Hu, Kong-Qiu; Wang, Lin; Yuan, Li-Yong; Li, Zi-Jie; Chai, Zhi-Fang; Shi, Wei-Qun","First three-dimensional actinide polyrotaxane framework mediated by windmill-like six-connected oligomeric uranyl: dual roles of the pseudorotaxane precursor.","Dalton transactions (Cambridge, England : 2003)","2016","45","34","13304","13307","10.1039/c6dt02704k","","","0.71073","MoKα","","0.0569","0.0434","","","0.1228","0.1296","","","","","","1.144","","","","has coordinates","186403","2020-10-21","18:00:00",""
"7039970","16.5786","0.0003","16.9736","0.0005","25.6419","0.0006","90","","101.461","0.002","90","","7071.7","0.3","296.44","0.1","296.44","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C56 H60 N26 O22 S U -","- C56 H60 N26 O22 S U -","- C224 H240 N104 O88 S4 U4 -","4","1","","Mei, Lei; Xie, Zhen-Ni; Hu, Kong-Qiu; Wang, Lin; Yuan, Li-Yong; Li, Zi-Jie; Chai, Zhi-Fang; Shi, Wei-Qun","First three-dimensional actinide polyrotaxane framework mediated by windmill-like six-connected oligomeric uranyl: dual roles of the pseudorotaxane precursor.","Dalton transactions (Cambridge, England : 2003)","2016","45","34","13304","13307","10.1039/c6dt02704k","","","0.71073","MoKα","","0.0617","0.0468","","","0.1427","0.1549","","","","","","1.056","","","","has coordinates","186403","2020-10-21","18:00:00",""
"7039971","13.9013","0.0007","17.4906","0.0009","20.0339","0.0011","93.695","0.001","105.632","0.001","110.417","0.001","4327.9","0.4","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C84 H100 Cl10 Ir2 N4 O2 P4 -","- C84 H96 Cl10 Ir2 N4 O2 P4 -","- C168 H192 Cl20 Ir4 N8 O4 P8 -","2","1","","Iturmendi, Amaia; García, Nestor; Jaseer, E. A.; Munárriz, Julen; Sanz Miguel, Pablo J.; Polo, Victor; Iglesias, Manuel; Oro, Luis A.","N-Heterocyclic olefins as ancillary ligands in catalysis: a study of their behaviour in transfer hydrogenation reactions.","Dalton transactions (Cambridge, England : 2003)","2016","45","32","12835","12845","10.1039/c6dt02571d","","","0.71073","MoKα","","0.0714","0.0576","","","0.1525","0.1628","","","","","","1.043","","","","has coordinates","186431","2020-10-21","18:00:00",""
"7039972","11.1294","0.0002","11.55","0.0002","14.1425","0.0003","114.075","0.002","104.952","0.002","91.314","0.002","1586.58","0.06","123","0.11","123","0.11","","","","","","","","8","P -1","-P 1","2","","","","- C26 H7 Cl2 F12 Hg3 Mo O2 P3 -","- C26 H7 Cl2 F12 Hg3 Mo O2 P3 -","- C52 H14 Cl4 F24 Hg6 Mo2 O4 P6 -","2","1","","Fleischmann, Martin; Jones, James S.; Balázs, Gábor; Gabbaï, François P; Scheer, Manfred","Supramolecular adducts based on weak interactions between the trimeric Lewis acid complex (perfluoro-ortho-phenylene)mercury and polypnictogen complexes.","Dalton transactions (Cambridge, England : 2003)","2016","45","35","13742","13749","10.1039/c6dt02507b","","x-ray","1.54178","CuKα","","0.0269","0.0264","","","0.0731","0.0743","","","","","","1.249","","","","has coordinates","186379","2020-10-21","18:00:00",""
"7039973","12.8301","0.0007","12.8847","0.0006","23.5633","0.0012","92.367","0.004","100.819","0.004","94.276","0.004","3809.3","0.3","123.1","0.5","123.1","0.5","","","","","","","","8","P -1","-P 1","2","","","","- C66 H24 Cl4 F24 Hg6 Mo4 O8 P4 -","- C66 H24 Cl4 F24 Hg6 Mo4 O8 P4 -","- C132 H48 Cl8 F48 Hg12 Mo8 O16 P8 -","2","1","","Fleischmann, Martin; Jones, James S.; Balázs, Gábor; Gabbaï, François P; Scheer, Manfred","Supramolecular adducts based on weak interactions between the trimeric Lewis acid complex (perfluoro-ortho-phenylene)mercury and polypnictogen complexes.","Dalton transactions (Cambridge, England : 2003)","2016","45","35","13742","13749","10.1039/c6dt02507b","","","0.71073","MoKα","","0.0309","0.0247","","","0.0479","0.0505","","","","","","1.039","","","","has coordinates,has disorder","186379","2020-10-21","18:00:00",""
"7039974","12.7941","0.0003","13.4465","0.0004","13.5405","0.0005","60.58","0.003","71.346","0.003","69.203","0.002","1866.34","0.11","123","1","123","1","","","","","","","","8","P -1","-P 1","2","","","","- C33 H12 As2 Cl2 F12 Hg3 Mo2 O4 -","- C33 H12 As2 Cl2 F12 Hg3 Mo2 O4 -","- C66 H24 As4 Cl4 F24 Hg6 Mo4 O8 -","2","1","","Fleischmann, Martin; Jones, James S.; Balázs, Gábor; Gabbaï, François P; Scheer, Manfred","Supramolecular adducts based on weak interactions between the trimeric Lewis acid complex (perfluoro-ortho-phenylene)mercury and polypnictogen complexes.","Dalton transactions (Cambridge, England : 2003)","2016","45","35","13742","13749","10.1039/c6dt02507b","","x-ray","0.71073","MoKα","","0.0425","0.0262","","","0.04","0.0412","","","","","","0.823","","","","has coordinates","186379","2020-10-21","18:00:00",""
"7039975","12.4435","0.0003","13.3321","0.0003","14.0134","0.0004","81.649","0.002","71.018","0.002","63.354","0.002","1964.89","0.1","123","0.14","123","0.14","","","","","","","","8","P -1","-P 1","2","","","","- C33 H12 Cl2 F12 Hg3 Mo2 O4 Sb2 -","- C33 H12 Cl2 F12 Hg3 Mo2 O4 Sb2 -","- C66 H24 Cl4 F24 Hg6 Mo4 O8 Sb4 -","2","1","","Fleischmann, Martin; Jones, James S.; Balázs, Gábor; Gabbaï, François P; Scheer, Manfred","Supramolecular adducts based on weak interactions between the trimeric Lewis acid complex (perfluoro-ortho-phenylene)mercury and polypnictogen complexes.","Dalton transactions (Cambridge, England : 2003)","2016","45","35","13742","13749","10.1039/c6dt02507b","","x-ray","0.71073","MoKα","","0.0516","0.0297","","","0.0462","0.0482","","","","","","0.813","","","","has coordinates,has disorder","186379","2020-10-21","18:00:00",""
"7039976","13.5154","0.0002","14.6","0.0002","17.6515","0.0003","111.087","0.002","103.308","0.002","104.483","0.001","2942.32","0.11","123.05","0.1","123.05","0.1","","","","","","","","8","P -1","-P 1","2","","","","- C48 H24 Bi4 Cl4 F12 Hg3 Mo4 O8 -","- C48 H24 Bi4 Cl4 F12 Hg3 Mo4 O8 -","- C96 H48 Bi8 Cl8 F24 Hg6 Mo8 O16 -","2","1","","Fleischmann, Martin; Jones, James S.; Balázs, Gábor; Gabbaï, François P; Scheer, Manfred","Supramolecular adducts based on weak interactions between the trimeric Lewis acid complex (perfluoro-ortho-phenylene)mercury and polypnictogen complexes.","Dalton transactions (Cambridge, England : 2003)","2016","45","35","13742","13749","10.1039/c6dt02507b","","x-ray","0.71073","MoKα","","0.0359","0.023","","","0.0386","0.0395","","","","","","0.834","","","","has coordinates","186379","2020-10-21","18:00:00",""
"7039977","11.0707","0.0002","7.4335","0.0002","33.0847","0.0008","90","","95.819","0.002","90","","2708.64","0.11","122.8","0.6","122.8","0.6","","","","","","","","7","P 1 2/n 1","-P 2yac","13","","","","- C50 H10 F24 Hg6 Mo2 O4 Sb2 -","- C50 H10 F24 Hg6 Mo2 O4 Sb2 -","- C100 H20 F48 Hg12 Mo4 O8 Sb4 -","2","0.5","","Fleischmann, Martin; Jones, James S.; Balázs, Gábor; Gabbaï, François P; Scheer, Manfred","Supramolecular adducts based on weak interactions between the trimeric Lewis acid complex (perfluoro-ortho-phenylene)mercury and polypnictogen complexes.","Dalton transactions (Cambridge, England : 2003)","2016","45","35","13742","13749","10.1039/c6dt02507b","","x-ray","0.71073","MoKα","","0.0322","0.0216","","","0.0367","0.0377","","","","","","0.883","","","","has coordinates","186379","2020-10-21","18:00:00",""
"7039978","19.1852","0.0001","19.7869","0.0001","18.7288","0.0001","90","","99.054","0.001","90","","7021.16","0.07","123","0.14","123","0.14","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C59 H26 As5 Cl6 Cr4 F24 Hg6 -","- C59 H26 As5 Cl6 Cr4 F24 Hg6 -","- C236 H104 As20 Cl24 Cr16 F96 Hg24 -","4","0.5","","Fleischmann, Martin; Jones, James S.; Balázs, Gábor; Gabbaï, François P; Scheer, Manfred","Supramolecular adducts based on weak interactions between the trimeric Lewis acid complex (perfluoro-ortho-phenylene)mercury and polypnictogen complexes.","Dalton transactions (Cambridge, England : 2003)","2016","45","35","13742","13749","10.1039/c6dt02507b","","x-ray","1.54178","CuKα","","0.0284","0.0254","","","0.0578","0.0588","","","","","","1.031","","","","has coordinates,has disorder","186379","2020-10-21","18:00:00",""
"7039979","8.6935","0.0004","8.6935","0.0004","19.7356","0.0014","90","","90","","120","","1291.73","0.12","173.15","","173.15","","","","","","","","","5","P 32 2 1","P 32 2""","154","","","","- C14 H10 Mo2 O4 Sb2 -","- C14 H10 Mo2 O4 Sb2 -","- C42 H30 Mo6 O12 Sb6 -","3","0.5","","Fleischmann, Martin; Jones, James S.; Balázs, Gábor; Gabbaï, François P; Scheer, Manfred","Supramolecular adducts based on weak interactions between the trimeric Lewis acid complex (perfluoro-ortho-phenylene)mercury and polypnictogen complexes.","Dalton transactions (Cambridge, England : 2003)","2016","45","35","13742","13749","10.1039/c6dt02507b","","","0.71073","MoKα","","0.0207","0.0196","","","0.0519","0.0521","","","","","","1.138","","","","has coordinates","186379","2020-10-21","18:00:00",""
"7039980","16.5867","0.0011","7.6677","0.0004","14.38","0.0008","90","","115.265","0.007","90","","1653.93","0.19","123.05","0.1","123.05","0.1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C14 H10 Bi2 Mo2 O4 -","- C14 H10 Bi2 Mo2 O4 -","- C56 H40 Bi8 Mo8 O16 -","4","0.5","","Fleischmann, Martin; Jones, James S.; Balázs, Gábor; Gabbaï, François P; Scheer, Manfred","Supramolecular adducts based on weak interactions between the trimeric Lewis acid complex (perfluoro-ortho-phenylene)mercury and polypnictogen complexes.","Dalton transactions (Cambridge, England : 2003)","2016","45","35","13742","13749","10.1039/c6dt02507b","","x-ray","0.71073","MoKα","","0.0438","0.0331","","","0.0667","0.0685","","","","","","0.925","","","","has coordinates","186379","2020-10-21","18:00:00",""
"7039981","14.8747","0.0006","14.8747","0.0006","7.4995","0.0004","90","","90","","120","","1437.01","0.11","123","1","123","1","","","","","","","","5","P 3 1 c","P 3 -2c","159","","","","- C24 H15 Bi Mo3 O9 -","- C24 H15 Bi Mo3 O9 -","- C48 H30 Bi2 Mo6 O18 -","2","0.333333","","Fleischmann, Martin; Jones, James S.; Balázs, Gábor; Gabbaï, François P; Scheer, Manfred","Supramolecular adducts based on weak interactions between the trimeric Lewis acid complex (perfluoro-ortho-phenylene)mercury and polypnictogen complexes.","Dalton transactions (Cambridge, England : 2003)","2016","45","35","13742","13749","10.1039/c6dt02507b","","x-ray","0.71073","MoKα","","0.1111","0.0686","","","0.1526","0.162","","","","","","0.92","","","","has coordinates","186379","2020-10-21","18:00:00",""
"7039982","16.93","0.005","16.93","0.005","16.93","0.005","90","","90","","90","","4853","2","293","2","293","2","","","","","","","","6","P n -3 :2","-P 2ab 2bc 3","201","","","","- C114 H84 Cl4 Cu4 N24 O0 -","- C114 H84 Cl4 Cu4 N24 -","- C228 H168 Cl8 Cu8 N48 -","2","0.0833333","","Chen, He; Liu, Ping-Xiao; Xu, Ning; Meng, Xing; Wang, Hai-Ning; Zhou, Zi-Yan","A visible light-driven photocatalyst of a stable metal-organic framework based on Cu4Cl clusters and TIPE spacers.","Dalton transactions (Cambridge, England : 2003)","2016","45","34","13477","13482","10.1039/c6dt02659a","","","0.71069","MoKα","","0.0919","0.0645","","","0.1862","0.2095","","","","","","1.077","","","","has coordinates","186410","2020-10-21","18:00:00",""
"7039983","12.0892","0.0005","12.2178","0.0005","12.8423","0.0006","72.808","0.003","73.021","0.002","63.995","0.002","1599.23","0.12","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C36 H36 Ir N11 -","- C36 H36 Ir N11 -","- C72 H72 Ir2 N22 -","2","1","","Fiorini, Valentina; Zacchini, Stefano; Raiteri, Paolo; Mazzoni, Rita; Zanotti, Valerio; Massi, Massimiliano; Stagni, Stefano","Negatively charged Ir(iii) cyclometalated complexes containing a chelating bis-tetrazolato ligand: synthesis, photophysics and the study of reactivity with electrophiles.","Dalton transactions (Cambridge, England : 2003)","2016","45","32","12884","12896","10.1039/c6dt02524b","","","0.71073","MoKα","","0.0628","0.0444","","","0.1016","0.114","","","","","","1.066","","","","has coordinates,has disorder","186440","2020-10-21","18:00:00",""
"7039984","9.3961","0.0002","26.1242","0.0004","9.216","0.0002","90","","111.468","0.003","90","","2105.26","0.08","100","0.14","100","0.14","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C38 H38 B2 F8 Fe N14 -","- C38 H38 B2 F8 Fe N14 -","- C76 H76 B4 F16 Fe2 N28 -","2","0.5","","Gardinier, James R.; Treleven, Alex R.; Meise, Kristin J.; Lindeman, Sergey V.","Accessing spin-crossover behaviour in iron(ii) complexes of N-confused scorpionate ligands.","Dalton transactions (Cambridge, England : 2003)","2016","45","32","12639","12643","10.1039/c6dt01898j","","x-ray","1.54184","CuKα","","0.043","0.038","","","0.1041","0.1088","","","","","","1.054","","","","has coordinates","186444","2020-10-21","18:00:00",""
"7039985","9.8095","0.0012","26.527","0.003","9.2849","0.0014","90","","114.357","0.016","90","","2201","0.6","240","0.14","240","0.14","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C38 H38 B2 F8 Fe N14 -","- C38 H38 B2 F8 Fe N14 -","- C76 H76 B4 F16 Fe2 N28 -","2","0.5","","Gardinier, James R.; Treleven, Alex R.; Meise, Kristin J.; Lindeman, Sergey V.","Accessing spin-crossover behaviour in iron(ii) complexes of N-confused scorpionate ligands.","Dalton transactions (Cambridge, England : 2003)","2016","45","32","12639","12643","10.1039/c6dt01898j","","x-ray","1.54184","CuKα","","0.2894","0.1643","","","0.385","0.5049","","","","","","1.041","","","","has coordinates","186444","2020-10-21","18:00:00",""
"7039986","23.4741","0.0004","17.7632","0.0003","10.49352","0.00018","90","","93.3163","0.0017","90","","4368.21","0.13","99.8","0.4","99.8","0.4","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C38 H38 B2 F8 Fe N14 O4 S2 -","- C38 H38 B2 F8.002 Fe N14 O4 S2 -","- C152 H152 B8 F32.008 Fe4 N56 O16 S8 -","4","0.5","","Gardinier, James R.; Treleven, Alex R.; Meise, Kristin J.; Lindeman, Sergey V.","Accessing spin-crossover behaviour in iron(ii) complexes of N-confused scorpionate ligands.","Dalton transactions (Cambridge, England : 2003)","2016","45","32","12639","12643","10.1039/c6dt01898j","","x-ray","0.71073","MoKα","","0.0518","0.039","","","0.086","0.0949","","","","","","1.036","","","","has coordinates,has disorder","186444","2020-10-21","18:00:00",""
"7039987","10.0567","0.0003","7.6103","0.0002","17.2769","0.0006","90","","97.843","0.003","90","","1309.91","0.07","99.95","0.1","99.95","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C20 H20 B2 F8 Fe N12 -","- C20 H20 B2 F8 Fe N12 -","- C40 H40 B4 F16 Fe2 N24 -","2","0.5","","Gardinier, James R.; Treleven, Alex R.; Meise, Kristin J.; Lindeman, Sergey V.","Accessing spin-crossover behaviour in iron(ii) complexes of N-confused scorpionate ligands.","Dalton transactions (Cambridge, England : 2003)","2016","45","32","12639","12643","10.1039/c6dt01898j","","x-ray","1.54184","CuKα","","0.0495","0.0454","","","0.1233","0.1257","","","","","","1.048","","","","has coordinates,has disorder","186444","2020-10-21","18:00:00",""
"7039988","12.36","0.0004","14.568","0.0004","19.8481","0.0006","90","","97.9218","0.0015","90","","3539.75","0.18","100","2","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C41 H53 Co N -","- C41 H52 Co N -","- C164 H208 Co4 N4 -","4","1","","Mokhtarzadeh, Charles C.; Rheingold, Arnold L.; Figueroa, Joshua S.","Dinitrogen binding, P4-activation and aza-Büchner ring expansions mediated by an isocyano analogue of the CpCo(CO) fragment.","Dalton transactions (Cambridge, England : 2003)","2016","45","37","14561","14569","10.1039/c6dt02789j","","x-ray","0.71073","MoKα","","0.0527","0.0369","","","0.0813","0.089","","","","","","1.013","","","","has coordinates","187138","2020-10-21","18:00:00",""
"7039989","10.5024","0.0005","11.2267","0.0005","17.5316","0.0007","91.499","0.001","90.424","0.002","110.691","0.002","1932.81","0.15","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C41 H52 Co N P4 -","- C41 H52 Co N P4 -","- C82 H104 Co2 N2 P8 -","2","1","","Mokhtarzadeh, Charles C.; Rheingold, Arnold L.; Figueroa, Joshua S.","Dinitrogen binding, P4-activation and aza-Büchner ring expansions mediated by an isocyano analogue of the CpCo(CO) fragment.","Dalton transactions (Cambridge, England : 2003)","2016","45","37","14561","14569","10.1039/c6dt02789j","","x-ray","0.71073","MoKα","","0.0344","0.0284","","","0.067","0.0699","","","","","","1.02","","","","has coordinates","187138","2020-10-21","18:00:00",""
"7039990","18.1976","0.0008","10.5931","0.0005","18.9124","0.0008","90","","92.564","0.0019","90","","3642.1","0.3","100","","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C41 H52 Co N3 -","- C41 H52 Co N3 -","- C164 H208 Co4 N12 -","4","1","","Mokhtarzadeh, Charles C.; Rheingold, Arnold L.; Figueroa, Joshua S.","Dinitrogen binding, P4-activation and aza-Büchner ring expansions mediated by an isocyano analogue of the CpCo(CO) fragment.","Dalton transactions (Cambridge, England : 2003)","2016","45","37","14561","14569","10.1039/c6dt02789j","","x-ray","0.71073","MoKα","","0.0671","0.0408","","","0.0772","0.0861","","","","","","1.022","","","","has coordinates","187138","2020-10-21","18:00:00",""
"7039991","10.1747","0.0002","21.3662","0.0005","17.6111","0.0004","90","","96.1823","0.0013","90","","3806.29","0.15","100","","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C41 H52 Co I2 N -","- C41 H52 Co I2 N -","- C164 H208 Co4 I8 N4 -","4","1","","Mokhtarzadeh, Charles C.; Rheingold, Arnold L.; Figueroa, Joshua S.","Dinitrogen binding, P4-activation and aza-Büchner ring expansions mediated by an isocyano analogue of the CpCo(CO) fragment.","Dalton transactions (Cambridge, England : 2003)","2016","45","37","14561","14569","10.1039/c6dt02789j","","x-ray","0.71073","MoKα","","0.061","0.0392","","","0.0671","0.0738","","","","","","1.053","","","","has coordinates,has disorder","187138","2020-10-21","18:00:00",""
"7039992","29.1006","0.0017","10.453","0.0007","21.8596","0.0013","90","","102.775","0.004","90","","6484.8","0.7","100","2","100","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C72 H84 Co2 N2 -","- C72 H84 Co2 N2 -","- C288 H336 Co8 N8 -","4","0.5","","Mokhtarzadeh, Charles C.; Rheingold, Arnold L.; Figueroa, Joshua S.","Dinitrogen binding, P4-activation and aza-Büchner ring expansions mediated by an isocyano analogue of the CpCo(CO) fragment.","Dalton transactions (Cambridge, England : 2003)","2016","45","37","14561","14569","10.1039/c6dt02789j","","x-ray","1.54178","CuKα","","0.1131","0.0776","","","0.1991","0.218","","","","","","1.063","","","","has coordinates","187138","2020-10-21","18:00:00",""
"7039993","21.222","0.003","14.0788","0.0017","21.829","0.003","90","","96.131","0.007","90","","6484.8","1.5","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C74 H92 Co N2 O0.5 -","- C74 H92.5 Co N2 O0.5 -","- C296 H370 Co4 N8 O2 -","4","1","","Mokhtarzadeh, Charles C.; Rheingold, Arnold L.; Figueroa, Joshua S.","Dinitrogen binding, P4-activation and aza-Büchner ring expansions mediated by an isocyano analogue of the CpCo(CO) fragment.","Dalton transactions (Cambridge, England : 2003)","2016","45","37","14561","14569","10.1039/c6dt02789j","","x-ray","0.71073","MoKα","","0.0817","0.0507","","","0.119","0.1302","","","","","","1.032","","","","has coordinates,has disorder","187138","2020-10-21","18:00:00",""
"7039994","42.741","0.009","14.267","0.003","19.742","0.004","90","","111.18","0.005","90","","11225","4","100","2","100","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C67 H79 Co N2 -","- C67 H79 Co N2 -","- C536 H632 Co8 N16 -","8","1","","Mokhtarzadeh, Charles C.; Rheingold, Arnold L.; Figueroa, Joshua S.","Dinitrogen binding, P4-activation and aza-Büchner ring expansions mediated by an isocyano analogue of the CpCo(CO) fragment.","Dalton transactions (Cambridge, England : 2003)","2016","45","37","14561","14569","10.1039/c6dt02789j","","x-ray","0.71073","MoKα","","0.1512","0.0786","","","0.1404","0.1629","","","","","","1.036","","","","has coordinates","187138","2020-10-21","18:00:00",""
"7039995","12.0968","0.0007","12.4201","0.0007","29.0162","0.0018","94.2","0.003","93.812","0.002","108.525","0.002","4103.9","0.4","100","2","100","","","","","","","","","5","P -1","-P 1","2","","","","- C82 H104 Co2 N2 P4 -","- C82 H104 Co2 N2 P4 -","- C164 H208 Co4 N4 P8 -","2","1","","Mokhtarzadeh, Charles C.; Rheingold, Arnold L.; Figueroa, Joshua S.","Dinitrogen binding, P4-activation and aza-Büchner ring expansions mediated by an isocyano analogue of the CpCo(CO) fragment.","Dalton transactions (Cambridge, England : 2003)","2016","45","37","14561","14569","10.1039/c6dt02789j","","x-ray","0.71073","MoKα","","0.1464","0.067","","","0.1474","0.1757","","","","","","0.97","","","","has coordinates,has disorder","187138","2020-10-21","18:00:00",""
"7039996","11.2236","0.0003","18.3864","0.0004","17.5003","0.0004","90","","108.611","0.001","90","","3422.54","0.14","100","2","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C36 H42 Co I2 N -","- C36 H42 Co I2 N -","- C144 H168 Co4 I8 N4 -","4","1","","Mokhtarzadeh, Charles C.; Rheingold, Arnold L.; Figueroa, Joshua S.","Dinitrogen binding, P4-activation and aza-Büchner ring expansions mediated by an isocyano analogue of the CpCo(CO) fragment.","Dalton transactions (Cambridge, England : 2003)","2016","45","37","14561","14569","10.1039/c6dt02789j","","x-ray","0.71073","MoKα","","0.0192","0.0183","","","0.0453","0.0459","","","","","","1.036","","","","has coordinates","187138","2020-10-21","18:00:00",""
"7039997","39.4977","0.0015","10.7818","0.0004","25.7877","0.0009","90","","110.826","0.003","90","","10264.3","0.7","100","2","100","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C55 H62 Co N -","- C55 H61.565 Co N -","- C440 H492.52 Co8 N8 -","8","1","","Mokhtarzadeh, Charles C.; Rheingold, Arnold L.; Figueroa, Joshua S.","Dinitrogen binding, P4-activation and aza-Büchner ring expansions mediated by an isocyano analogue of the CpCo(CO) fragment.","Dalton transactions (Cambridge, England : 2003)","2016","45","37","14561","14569","10.1039/c6dt02789j","","x-ray","0.71073","MoKα","","0.0598","0.0427","","","0.1019","0.1107","","","","","","1.031","","","","has coordinates,has disorder","187138","2020-10-21","18:00:00",""
"7039998","11.8583","0.0003","19.1551","0.0004","12.2719","0.0003","90","","112.782","0.003","90","","2570.06","0.12","119.99","0.12","119.99","0.12","","","","","","","","6","I 1 a 1","I -2ya","9","","","","- C18 H34 B10 Cl2 N2 Ru -","- C18 H34 B10 Cl2 N2 Ru -","- C72 H136 B40 Cl8 N8 Ru4 -","4","1","","Holmes, Jordan; Pask, Christopher M.; Willans, Charlotte E.","Chelating N-heterocyclic carbene-carboranes offer flexible ligand coordination to Ir(III), Rh(III) and Ru(II): effect of ligand cyclometallation in catalytic transfer hydrogenation.","Dalton transactions (Cambridge, England : 2003)","2016","45","40","15818","15827","10.1039/c6dt02079h","","x-ray","1.54184","CuKα","","0.0516","0.0507","","","0.1245","0.1258","","","","","","1.088","","","","has coordinates","188208","2020-10-21","18:00:00",""
"7039999","35.0294","0.0011","35.0294","0.0011","13.0675","0.0004","90","","90","","120","","13886.4","0.7","293","2","293","2","","","","","","","","6","P 61","P 61","169","","","","- C21 H42 B10 Cl2 Ir N2 -","- C18 H35 B10 Cl2 Ir N2 -","- C324 H630 B180 Cl36 Ir18 N36 -","18","3","","Holmes, Jordan; Pask, Christopher M.; Willans, Charlotte E.","Chelating N-heterocyclic carbene-carboranes offer flexible ligand coordination to Ir(III), Rh(III) and Ru(II): effect of ligand cyclometallation in catalytic transfer hydrogenation.","Dalton transactions (Cambridge, England : 2003)","2016","45","40","15818","15827","10.1039/c6dt02079h","","x-ray","1.54184","CuKα","","0.0753","0.0666","","","0.1493","0.1544","","","","","","1.07","","","","has coordinates","188208","2020-10-21","18:00:00",""
"7040000","15.3524","0.0004","8.793","0.0002","32.4934","0.0011","90","","96.328","0.003","90","","4359.7","0.2","120.01","0.1","120.01","0.1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C22 H29 Cl2 Ir N2 -","- C22 H29 Cl2 Ir N2 -","- C176 H232 Cl16 Ir8 N16 -","8","1","","Holmes, Jordan; Pask, Christopher M.; Willans, Charlotte E.","Chelating N-heterocyclic carbene-carboranes offer flexible ligand coordination to Ir(III), Rh(III) and Ru(II): effect of ligand cyclometallation in catalytic transfer hydrogenation.","Dalton transactions (Cambridge, England : 2003)","2016","45","40","15818","15827","10.1039/c6dt02079h","","x-ray","0.71073","MoKα","","0.0567","0.0435","","","0.0929","0.1015","","","","","","1.066","","","","has coordinates","188208","2020-10-21","18:00:00",""
"7040001","8.0693","0.0004","10.6249","0.0004","14.7046","0.0007","95.466","0.004","93.488","0.004","106.566","0.004","1197.76","0.1","120","0.2","120","0.2","","","","","","","","7","P -1","-P 1","2","","","","- C18 H34 B10 Br0.7 Cl0.3 Ir N2 -","- C18 H34 B10 Br0.7 Cl0.3 Ir N2 -","- C36 H68 B20 Br1.4 Cl0.6 Ir2 N4 -","2","1","","Holmes, Jordan; Pask, Christopher M.; Willans, Charlotte E.","Chelating N-heterocyclic carbene-carboranes offer flexible ligand coordination to Ir(III), Rh(III) and Ru(II): effect of ligand cyclometallation in catalytic transfer hydrogenation.","Dalton transactions (Cambridge, England : 2003)","2016","45","40","15818","15827","10.1039/c6dt02079h","","x-ray","0.71073","MoKα","","0.061","0.0468","","","0.0942","0.1005","","","","","","1.002","","","","has coordinates,has disorder","188208","2020-10-21","18:00:00",""
"7040002","11.9043","0.0003","26.6028","0.0007","10.882","0.0003","90","","90","","90","","3446.2","0.16","120.01","0.15","120.01","0.15","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C9 H23 B10 Br N2 -","- C9 H23 B10 Br N2 -","- C72 H184 B80 Br8 N16 -","8","1","","Holmes, Jordan; Pask, Christopher M.; Willans, Charlotte E.","Chelating N-heterocyclic carbene-carboranes offer flexible ligand coordination to Ir(III), Rh(III) and Ru(II): effect of ligand cyclometallation in catalytic transfer hydrogenation.","Dalton transactions (Cambridge, England : 2003)","2016","45","40","15818","15827","10.1039/c6dt02079h","","x-ray","1.54184","CuKα","","0.0587","0.0371","","","0.0845","0.0943","","","","","","1.024","","","","has coordinates","188208","2020-10-21","18:00:00",""
"7040003","11.1388","0.0004","18.2073","0.0006","13.5279","0.0005","90","","110.343","0.004","90","","2572.44","0.17","120.01","0.1","120.01","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C21 H39 B10 Ir N2 -","- C21 H39 B10 Ir N2 -","- C84 H156 B40 Ir4 N8 -","4","1","","Holmes, Jordan; Pask, Christopher M.; Willans, Charlotte E.","Chelating N-heterocyclic carbene-carboranes offer flexible ligand coordination to Ir(III), Rh(III) and Ru(II): effect of ligand cyclometallation in catalytic transfer hydrogenation.","Dalton transactions (Cambridge, England : 2003)","2016","45","40","15818","15827","10.1039/c6dt02079h","","x-ray","0.71073","MoKα","","0.0485","0.0329","","","0.0539","0.0577","","","","","","1.024","","","","has coordinates","188208","2020-10-21","18:00:00",""
"7040004","7.3551","0.0004","15.9601","0.0008","23.705","0.002","90","","92.623","0.006","90","","2779.8","0.3","120","0.2","120","0.2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C19 H37 B10 Cl2 Ir N2 -","- C19 H37 B10 Cl2 Ir N2 -","- C76 H148 B40 Cl8 Ir4 N8 -","4","1","","Holmes, Jordan; Pask, Christopher M.; Willans, Charlotte E.","Chelating N-heterocyclic carbene-carboranes offer flexible ligand coordination to Ir(III), Rh(III) and Ru(II): effect of ligand cyclometallation in catalytic transfer hydrogenation.","Dalton transactions (Cambridge, England : 2003)","2016","45","40","15818","15827","10.1039/c6dt02079h","","x-ray","1.54184","CuKα","","0.1095","0.0739","","","0.1894","0.2022","","","","","","1.098","","","","has coordinates","188208","2020-10-21","18:00:00",""
"7040005","12.3901","0.0005","13.1679","0.0005","10.0278","0.0004","90","","94.152","0.004","90","","1631.76","0.11","110.01","0.1","110.01","0.1","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C8 H21 B10 Br N2 -","- C8 H21 B10 Br N2 -","- C32 H84 B40 Br4 N8 -","4","1","","Holmes, Jordan; Pask, Christopher M.; Willans, Charlotte E.","Chelating N-heterocyclic carbene-carboranes offer flexible ligand coordination to Ir(III), Rh(III) and Ru(II): effect of ligand cyclometallation in catalytic transfer hydrogenation.","Dalton transactions (Cambridge, England : 2003)","2016","45","40","15818","15827","10.1039/c6dt02079h","","x-ray","0.71073","MoKα","","0.0639","0.0461","","","0.0965","0.1062","","","","","","1.042","","","","has coordinates","188208","2020-10-21","18:00:00",""
"7040006","24.7231","0.0004","16.8366","0.0003","30.9698","0.0007","90","","94.202","0.001","90","","12856.6","0.4","100","2","100","2","","","","","","","synthesis as described","7","P 1 21 1","P 2yb","4","","","","- C182 H328 Cr14 F11 N3 Ni2 O71 -","- C182 H328 Cr14.04 F11 N3 Ni2.04 O71 -","- C364 H656 Cr28.08 F22 N6 Ni4.08 O142 -","2","1","","Timco, Grigore; Marocchi, Simone; Garlatti, Elena; Barker, Claire; Albring, Morten; Bellini, Valerio; Manghi, Franca; McInnes, Eric J. L.; Pritchard, Robin G.; Tuna, Floriana; Wernsdorfer, Wolfgang; Lorusso, Giulia; Amoretti, Giuseppe; Carretta, Stefano; Affronte, Marco; Winpenny, Richard E. P.","Heterodimers of heterometallic rings.","Dalton transactions (Cambridge, England : 2003)","2016","45","42","16610","16615","10.1039/c6dt01941b","","x-ray","0.71073","MoKα","","0.1441","0.1055","","","0.2418","0.2656","","","","","","1.292","","","","has coordinates","188236","2020-10-21","18:00:00",""
"7040007","12.3106","0.0003","6.57573","0.00017","8.4715","0.0003","90","","94.85","0.003","90","","683.32","0.03","113","2","113","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C2 H2 N8 O3 Pb -","- C2 H2 N8 O3 Pb -","- C8 H8 N32 O12 Pb4 -","4","0.5","","Shang, Yu; Jin, Bo; Peng, Rufang; Liu, Qiangqiang; Tan, Bisheng; Guo, Zhicheng; Zhao, Jun; Zhang, Qingchun","A novel 3D energetic MOF of high energy content: synthesis and superior explosive performance of a Pb(ii) compound with 5,5'-bistetrazole-1,1'-diolate.","Dalton transactions (Cambridge, England : 2003)","2016","45","35","13881","13887","10.1039/c6dt02558g","","","0.71073","MoKα","","0.0214","0.0211","","","0.0575","0.0578","","","","","","1.094","","","","has coordinates","186382","2020-10-21","18:00:00",""
"7040008","9.5682","0.0005","20.2538","0.0011","11.7161","0.0008","90","","99.951","0.005","90","","2236.3","0.2","293","2","293","2","","","","","","","synthesis","6","P 1 21/c 1","-P 2ybc","14","","unk","","- C41 H52 Cl4 Cu N2 O2 -","- C41 H52 Cl4 Cu N2 O2 -","- C82 H104 Cl8 Cu2 N4 O4 -","2","0.5","","Mondal, Manas Kumar; Mukherjee, Chandan","An unprecedented one-step synthesis of octahedral Cu(ii)-bis(iminoquinone) complexes and their reactivity with NaBH4.","Dalton transactions (Cambridge, England : 2003)","2016","45","34","13532","13540","10.1039/c6dt02443b","","x-ray","0.71073","MoKα","","0.0663","0.052","","","0.1485","0.1608","","","","","","1.082","","","","has coordinates","186415","2020-10-21","18:00:00",""
"7040009","27.611","0.002","9.739","0.0008","18.7464","0.0014","90","","105.248","0.008","90","","4863.5","0.7","296","2","296","2","","","","","","","synthesis","5","C 1 2/c 1","-C 2yc","15","","unk","","- C52 H56 Cu N4 O8 -","- C52 H56 Cu N4 O8 -","- C208 H224 Cu4 N16 O32 -","4","0.5","","Mondal, Manas Kumar; Mukherjee, Chandan","An unprecedented one-step synthesis of octahedral Cu(ii)-bis(iminoquinone) complexes and their reactivity with NaBH4.","Dalton transactions (Cambridge, England : 2003)","2016","45","34","13532","13540","10.1039/c6dt02443b","","x-ray","0.71073","MoKα","","0.115","0.06","","","0.1482","0.1682","","","","","","0.985","","","","has coordinates","186415","2020-10-21","18:00:00",""
"7040010","33.681","0.0016","16.0902","0.0007","11.2272","0.0005","90","","98.919","0.004","90","","6010.8","0.5","293","2","293","2","","","","","","","synthesis","6","C 1 2/c 1","-C 2yc","15","","unk","","- C52 H56 Cl2 Cu N4 O8 -","- C52 H56 Cl2 Cu N4 O8 -","- C208 H224 Cl8 Cu4 N16 O32 -","4","0.5","","Mondal, Manas Kumar; Mukherjee, Chandan","An unprecedented one-step synthesis of octahedral Cu(ii)-bis(iminoquinone) complexes and their reactivity with NaBH4.","Dalton transactions (Cambridge, England : 2003)","2016","45","34","13532","13540","10.1039/c6dt02443b","","x-ray","0.71073","MoKα","","0.1398","0.0739","","","0.1578","0.1956","","","","","","1.043","","","","has coordinates","186415","2020-10-21","18:00:00",""
"7040011","26.847","0.003","6.6403","0.0007","11.0216","0.0011","90","","90","","90","","1964.8","0.4","200","2","200","2","","","","","","","","7","P n m a","-P 2ac 2n","62","","","","- C16 H17 Cl F6 N5 P Pd -","- C16 H17 Cl F6 N5 P Pd -","- C64 H68 Cl4 F24 N20 P4 Pd4 -","4","0.5","","Moussa, Jamal; Haddouche, Kamel; Chamoreau, Lise-Marie; Amouri, Hani; Gareth Williams, J. A.","New N^C^N-coordinated Pd(ii) and Pt(ii) complexes of a tridentate N-heterocyclic carbene ligand featuring a 6-membered central ring: synthesis, structures and luminescence.","Dalton transactions (Cambridge, England : 2003)","2016","45","32","12644","12648","10.1039/c6dt02415g","","","0.71073","MoKα","","0.0964","0.0747","","","0.1381","0.1438","","","","","","1.39","","","","has coordinates,has disorder","186437","2020-10-21","18:00:00",""
"7040012","26.8248","0.0013","6.6453","0.0003","11.0181","0.0005","90","","90","","90","","1964.07","0.16","200","2","200","2","","","","","","","","7","P n m a","-P 2ac 2n","62","","","","- C16 H17 Cl F6 N5 P Pt -","- C16 H17 Cl F6 N5 P Pt -","- C64 H68 Cl4 F24 N20 P4 Pt4 -","4","0.5","","Moussa, Jamal; Haddouche, Kamel; Chamoreau, Lise-Marie; Amouri, Hani; Gareth Williams, J. A.","New N^C^N-coordinated Pd(ii) and Pt(ii) complexes of a tridentate N-heterocyclic carbene ligand featuring a 6-membered central ring: synthesis, structures and luminescence.","Dalton transactions (Cambridge, England : 2003)","2016","45","32","12644","12648","10.1039/c6dt02415g","","","0.71073","MoKα","","0.0575","0.0454","","","0.091","0.0951","","","","","","1.005","","","","has coordinates,has disorder","186437","2020-10-21","18:00:00",""
"7040013","10.4453","0.0003","20.6559","0.0006","19.7889","0.0006","90","","103.241","0.001","90","","4156.1","0.2","100","2","100","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","[Ni2(LClO-bdpa)(mu2-OAc)2](PF6).3H2O","","","- C36 H42 Cl F6 N6 Ni2 O8 P -","- C36 H42 Cl F6 N6 Ni2 O8 P -","- C144 H168 Cl4 F24 N24 Ni8 O32 P4 -","4","1","","Massoud, Salah S.; Ledet, Catherine C.; Junk, Thomas; Bosch, Simone; Comba, Peter; Herchel, Radovan; Hošek, Jan; Trávníček, Zdeněk; Fischer, Roland C.; Mautner, Franz A.","Dinuclear metal(ii)-acetato complexes based on bicompartmental 4-chlorophenolate: syntheses, structures, magnetic properties, DNA interactions and phosphodiester hydrolysis.","Dalton transactions (Cambridge, England : 2003)","2016","45","32","12933","12950","10.1039/c6dt02596j","","","0.71073","MoKα","","0.0637","0.0403","","","0.1051","0.1243","","","","","","1.135","","","","has coordinates,has disorder","186438","2020-10-21","18:00:00",""
"7040014","10.1039","0.0002","14.0417","0.0002","28.0477","0.0005","90","","91.895","0.001","90","","3977.12","0.12","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","[Ni2(L-Cl-O-bdpa)(mu-acetato)2]ClO4.CH3COCH3","","","- C39 H42 Cl2 N6 Ni2 O10 -","- C39 H42 Cl2 N6 Ni2 O10 -","- C156 H168 Cl8 N24 Ni8 O40 -","4","1","","Massoud, Salah S.; Ledet, Catherine C.; Junk, Thomas; Bosch, Simone; Comba, Peter; Herchel, Radovan; Hošek, Jan; Trávníček, Zdeněk; Fischer, Roland C.; Mautner, Franz A.","Dinuclear metal(ii)-acetato complexes based on bicompartmental 4-chlorophenolate: syntheses, structures, magnetic properties, DNA interactions and phosphodiester hydrolysis.","Dalton transactions (Cambridge, England : 2003)","2016","45","32","12933","12950","10.1039/c6dt02596j","","","0.71073","MoKα","","0.0476","0.0318","","","0.0831","0.0995","","","","","","1.123","","","","has coordinates","186438","2020-10-21","18:00:00",""
"7040015","10.6949","0.0004","20.3869","0.0009","17.5905","0.0007","90","","105.489","0.002","90","","3696.1","0.3","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","[Cu2(LClO-bdpa)(mu2-Oac)(ClO4)]ClO4","","","- C34 H33 Cl3 Cu2 N6 O11 -","- C34 H33 Cl3 Cu2 N6 O11 -","- C136 H132 Cl12 Cu8 N24 O44 -","4","1","","Massoud, Salah S.; Ledet, Catherine C.; Junk, Thomas; Bosch, Simone; Comba, Peter; Herchel, Radovan; Hošek, Jan; Trávníček, Zdeněk; Fischer, Roland C.; Mautner, Franz A.","Dinuclear metal(ii)-acetato complexes based on bicompartmental 4-chlorophenolate: syntheses, structures, magnetic properties, DNA interactions and phosphodiester hydrolysis.","Dalton transactions (Cambridge, England : 2003)","2016","45","32","12933","12950","10.1039/c6dt02596j","","","0.71073","MoKα","","0.0676","0.0419","","","0.1099","0.1363","","","","","","1.105","","","","has coordinates","186438","2020-10-21","18:00:00",""
"7040016","11.039","0.0002","27.5883","0.0006","12.799","0.0003","90","","90.327","0.001","90","","3897.84","0.14","100","2","100","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","Cu2(L-Cl-O-bdpa)(acetato)2]PF6.H2O","","","- C36 H38 Cl Cu2 F6 N6 O6 P -","- C36 H38 Cl Cu2 F6 N6 O6 P -","- C144 H152 Cl4 Cu8 F24 N24 O24 P4 -","4","1","","Massoud, Salah S.; Ledet, Catherine C.; Junk, Thomas; Bosch, Simone; Comba, Peter; Herchel, Radovan; Hošek, Jan; Trávníček, Zdeněk; Fischer, Roland C.; Mautner, Franz A.","Dinuclear metal(ii)-acetato complexes based on bicompartmental 4-chlorophenolate: syntheses, structures, magnetic properties, DNA interactions and phosphodiester hydrolysis.","Dalton transactions (Cambridge, England : 2003)","2016","45","32","12933","12950","10.1039/c6dt02596j","","","0.71073","MoKα","","0.0587","0.0336","","","0.0785","0.0988","","","","","","1.081","","","","has coordinates","186438","2020-10-21","18:00:00",""
"7040017","10.205","0.0014","12.071","0.0017","16.93","0.002","90.53","0.02","106.84","0.02","104.35","0.02","1926.4","0.5","100","2","100","2","","","","","","","","8","P -1","-P 1","2","[Zn2(L-Cl-O-bdpa)(mu-acetato)2]PF6","","","- C36 H36 Cl F6 N6 O5 P Zn2 -","- C36 H36 Cl F6 N6 O5 P Zn2 -","- C72 H72 Cl2 F12 N12 O10 P2 Zn4 -","2","1","","Massoud, Salah S.; Ledet, Catherine C.; Junk, Thomas; Bosch, Simone; Comba, Peter; Herchel, Radovan; Hošek, Jan; Trávníček, Zdeněk; Fischer, Roland C.; Mautner, Franz A.","Dinuclear metal(ii)-acetato complexes based on bicompartmental 4-chlorophenolate: syntheses, structures, magnetic properties, DNA interactions and phosphodiester hydrolysis.","Dalton transactions (Cambridge, England : 2003)","2016","45","32","12933","12950","10.1039/c6dt02596j","","","0.71073","MoKα","","0.0592","0.0532","","","0.1079","0.1101","","","","","","1.197","","","","has coordinates","186438","2020-10-21","18:00:00",""
"7040018","10.2227","0.0002","13.9012","0.0004","28.2107","0.0007","90","","91.499","0.001","90","","4007.59","0.17","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","[Mn2(LCl-O)(mu-OAc)2](ClO4)(H2O)","","","- C36 H36 Cl2 Mn2 N6 O10 -","- C36 H36 Cl2 Mn2 N6 O10 -","- C144 H144 Cl8 Mn8 N24 O40 -","4","1","","Massoud, Salah S.; Ledet, Catherine C.; Junk, Thomas; Bosch, Simone; Comba, Peter; Herchel, Radovan; Hošek, Jan; Trávníček, Zdeněk; Fischer, Roland C.; Mautner, Franz A.","Dinuclear metal(ii)-acetato complexes based on bicompartmental 4-chlorophenolate: syntheses, structures, magnetic properties, DNA interactions and phosphodiester hydrolysis.","Dalton transactions (Cambridge, England : 2003)","2016","45","32","12933","12950","10.1039/c6dt02596j","","","0.71073","MoKα","","0.0332","0.0296","","","0.0777","0.0798","","","","","","1.041","","","","has coordinates,has disorder","186438","2020-10-21","18:00:00",""
"7040019","10.5787","0.0008","12.4102","0.001","12.9849","0.0009","85.847","0.006","68.108","0.005","65.248","0.005","1429.4","0.2","296","","296","","","","","","","","","5","P -1","-P 1","2","","","","- C74 H50 Fe N7 P2 -","- C74 H50 Fe N7 P2 -","- C74 H50 Fe N7 P2 -","1","0.5","","Nishi, Miki; Ikeda, Mitsuo; Kanda, Akinori; Hanasaki, Noriaki; Hoshino, Norihisa; Akutagawa, Tomoyuki; Matsuda, Masaki","A giant negative magnetoresistance effect in an iron tetrabenzoporphyrin complex.","Dalton transactions (Cambridge, England : 2003)","2016","45","42","16604","16609","10.1039/c6dt01911k","","","0.71075","MoKα","","0.0582","0.0506","","","0.1468","0.1519","","","","","","1.226","","","","has coordinates","188244","2020-10-21","18:00:00",""
"7040020","29.263","0.002","12.4118","0.0009","10.6811","0.0009","90","","99.098","0.003","90","","3830.6","0.5","153","2","153","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C17 H25 N5 Ni O4 -","- C17 H25 N5 Ni O4 -","- C136 H200 N40 Ni8 O32 -","8","1","","Das, Siva Prasad; Ganguly, Rakesh; Li, Yongxin; Soo, Han Sen","Nucleophilic reactivity and electrocatalytic reduction of halogenated organic compounds by nickel o-phenylenedioxamidate complexes.","Dalton transactions (Cambridge, England : 2003)","2016","45","34","13556","13564","10.1039/c6dt02349e","","","0.71073","MoKα","","0.1566","0.0622","","","0.1237","0.1721","","","","","","1.1","","","","has coordinates","186397","2020-10-21","18:00:00",""
"7040021","25.97","0.003","8.6558","0.0007","18.0823","0.0017","90","","105.855","0.003","90","","3910.1","0.7","103","2","103","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C18 H27 N5 Ni O4 -","- C18 H27 N5 Ni O4 -","- C144 H216 N40 Ni8 O32 -","8","1","","Das, Siva Prasad; Ganguly, Rakesh; Li, Yongxin; Soo, Han Sen","Nucleophilic reactivity and electrocatalytic reduction of halogenated organic compounds by nickel o-phenylenedioxamidate complexes.","Dalton transactions (Cambridge, England : 2003)","2016","45","34","13556","13564","10.1039/c6dt02349e","","","0.71073","MoKα","","0.1674","0.0668","","","0.1329","0.1688","","","","","","0.988","","","","has coordinates","186397","2020-10-21","18:00:00",""
"7040022","19.1442","0.0014","10.1337","0.0007","11.8238","0.0008","90","","102.976","0.002","90","","2235.3","0.3","153","2","153","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H31 N5 Ni O4 -","- C20 H31 N5 Ni O4 -","- C80 H124 N20 Ni4 O16 -","4","1","","Das, Siva Prasad; Ganguly, Rakesh; Li, Yongxin; Soo, Han Sen","Nucleophilic reactivity and electrocatalytic reduction of halogenated organic compounds by nickel o-phenylenedioxamidate complexes.","Dalton transactions (Cambridge, England : 2003)","2016","45","34","13556","13564","10.1039/c6dt02349e","","","0.71073","MoKα","","0.1209","0.0529","","","0.1212","0.1519","","","","","","1.01","","","","has coordinates,has disorder","186397","2020-10-21","18:00:00",""
"7040023","15.8813","0.0004","24.8528","0.0006","10.6517","0.0003","90","","94.7164","0.0015","90","","4189.93","0.19","103","2","103","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H29 N5 Ni O4 -","- C19 H29 N5 Ni O4 -","- C152 H232 N40 Ni8 O32 -","8","2","","Das, Siva Prasad; Ganguly, Rakesh; Li, Yongxin; Soo, Han Sen","Nucleophilic reactivity and electrocatalytic reduction of halogenated organic compounds by nickel o-phenylenedioxamidate complexes.","Dalton transactions (Cambridge, England : 2003)","2016","45","34","13556","13564","10.1039/c6dt02349e","","","1.54178","CuKα","","0.0551","0.0459","","","0.1189","0.1239","","","","","","1.087","","","","has coordinates","186397","2020-10-21","18:00:00",""
"7040024","11.7043","0.0003","15.0514","0.0004","24.0777","0.0004","78.063","0.002","79.898","0.002","67.501","0.002","3812.28","0.17","180","2","180","2","","","","","","","","9","P -1","-P 1","2","[RuAu] (A)","","","- C67 H75 Au3.5 Cl10 F3 N11 O P0.5 Ru -","- C67 H75 Au3.5 Cl10 F3 N11 O P0.5 Ru -","- C134 H150 Au7 Cl20 F6 N22 O2 P Ru2 -","2","1","","Sorsche, Dieter; Schaub, Markus; Heinemann, Frank W.; Habermehl, Johannes; Kuhri, Susanne; Guldi, Dirk; Guthmuller, Julien; Rau, Sven","π-Stacking attraction vs. electrostatic repulsion: competing supramolecular interactions in a tpphz-bridged Ru(ii)/Au(iii) complex.","Dalton transactions (Cambridge, England : 2003)","2016","45","32","12846","12853","10.1039/c6dt01643j","","x-ray","0.71073","MoKα","","0.0542","0.0381","","","0.0785","0.0855","","","","","","1.031","","","","has coordinates,has disorder","186430","2020-10-21","18:00:00",""
"7040025","11.2792","0.0014","15.2758","0.0019","23.259","0.003","78.519","0.002","78.669","0.002","68.62","0.002","3623.2","0.8","100","2","100","2","","","","","","","","7","P -1","-P 1","2","[RuAu]_B","","","- C64 H70 Au4 Cl11 N10 O Ru -","- C64 H70 Au4 Cl11 N10 O Ru -","- C128 H140 Au8 Cl22 N20 O2 Ru2 -","2","1","","Sorsche, Dieter; Schaub, Markus; Heinemann, Frank W.; Habermehl, Johannes; Kuhri, Susanne; Guldi, Dirk; Guthmuller, Julien; Rau, Sven","π-Stacking attraction vs. electrostatic repulsion: competing supramolecular interactions in a tpphz-bridged Ru(ii)/Au(iii) complex.","Dalton transactions (Cambridge, England : 2003)","2016","45","32","12846","12853","10.1039/c6dt01643j","","x-ray","0.71073","MoKα","","0.0786","0.0569","","","0.1399","0.1544","","","","","","1.061","","","","has coordinates,has disorder","186430","2020-10-21","18:00:00",""
"7040026","19.363","0.002","18.814","0.002","21.881","0.002","90","","111.502","0.004","90","","7416.4","1.3","150","2","150","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C65 H73 F9 Ir3 N7 O18 S3 -","- C56 H65 F6 Ir3 N7 O10 S2 -","- C224 H260 F24 Ir12 N28 O40 S8 -","4","1","","Lin, Yue-Jian; Shan, Wei-Long; Jin, Guo-Xin","A nonanuclear triangular macrocycle and a linear heptanuclear heterometallic complex based on a 2-substituted imidazole-4,5-dicarboxylate ligand.","Dalton transactions (Cambridge, England : 2003)","2016","45","32","12680","12684","10.1039/c6dt02460b","","","1.54178","CuKα","","0.1302","0.1245","","","0.3272","0.3323","","","","","","1.027","","","","has coordinates","186432","2020-10-21","18:00:00",""
"7040027","19.0018","0.0014","18.9291","0.0014","22.3003","0.0017","90","","112.696","0.001","90","","7400","1","173","2","173","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C122 H154 F24 Ir6 N14 O38 S8 Zn -","- C116 H136 F18 Ir6 N14 O28 S6 Zn -","- C232 H272 F36 Ir12 N28 O56 S12 Zn2 -","2","0.5","","Lin, Yue-Jian; Shan, Wei-Long; Jin, Guo-Xin","A nonanuclear triangular macrocycle and a linear heptanuclear heterometallic complex based on a 2-substituted imidazole-4,5-dicarboxylate ligand.","Dalton transactions (Cambridge, England : 2003)","2016","45","32","12680","12684","10.1039/c6dt02460b","","","0.71073","MoKα","","0.0806","0.0543","","","0.1541","0.172","","","","","","1.03","","","","has coordinates,has disorder","186432","2020-10-21","18:00:00",""
"7040028","16.272","0.0008","23.9463","0.0011","26.2849","0.0012","90.727","0.002","91.725","0.002","107.527","0.002","9759.6","0.8","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C156.5 H215 F13.5 N13.5 O53 Rh9 S4.5 -","- C142 H159 F9 N13.5 O35.5 Rh9 S3 -","- C284 H318 F18 N27 O71 Rh18 S6 -","2","1","","Lin, Yue-Jian; Shan, Wei-Long; Jin, Guo-Xin","A nonanuclear triangular macrocycle and a linear heptanuclear heterometallic complex based on a 2-substituted imidazole-4,5-dicarboxylate ligand.","Dalton transactions (Cambridge, England : 2003)","2016","45","32","12680","12684","10.1039/c6dt02460b","","","1.54178","CuKα","","0.1189","0.0951","","","0.2675","0.2913","","","","","","1.092","","","","has coordinates,has disorder","186432","2020-10-21","18:00:00",""
"7040029","13.6455","0.0009","14.6229","0.0009","17.8347","0.0012","90","","90","","90","","3558.7","0.4","103","2","103","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C40 H38 Cl N2 O P Pd -","- C40 H38 Cl N2 O P Pd -","- C160 H152 Cl4 N8 O4 P4 Pd4 -","4","1","","Yang, Xiang-Yuan; Jia, Yu-Xiang; Tay, Wee Shan; Li, Yongxin; Pullarkat, Sumod A.; Leung, Pak-Hing","Mechanistic insights into the role of PC- and PCP-type palladium catalysts in asymmetric hydrophosphination of activated alkenes incorporating potential coordinating heteroatoms.","Dalton transactions (Cambridge, England : 2003)","2016","45","34","13449","13455","10.1039/c6dt02588a","","","0.71073","MoKα","","0.0661","0.0409","","","0.0958","0.128","","","","","","1.058","","","","has coordinates","186416","2020-10-21","18:00:00",""
"7040030","6.2681","0.0005","16.6286","0.0015","21.762","0.003","90","","90","","90","","2268.2","0.4","153","2","153","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C26 H22 N O2 P S -","- C26 H22 N O2 P S -","- C104 H88 N4 O8 P4 S4 -","4","1","","Yang, Xiang-Yuan; Jia, Yu-Xiang; Tay, Wee Shan; Li, Yongxin; Pullarkat, Sumod A.; Leung, Pak-Hing","Mechanistic insights into the role of PC- and PCP-type palladium catalysts in asymmetric hydrophosphination of activated alkenes incorporating potential coordinating heteroatoms.","Dalton transactions (Cambridge, England : 2003)","2016","45","34","13449","13455","10.1039/c6dt02588a","","","0.71073","MoKα","","0.1276","0.0699","","","0.1277","0.1597","","","","","","0.996","","","","has coordinates","186416","2020-10-21","18:00:00",""
"7040031","11.5111","0.0008","17.2089","0.0008","22.8522","0.0015","90","","90","","90","","4526.9","0.5","103","2","103","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C26 H22 N O2 P S -","- C26 H22 N O2 P S -","- C208 H176 N8 O16 P8 S8 -","8","2","","Yang, Xiang-Yuan; Jia, Yu-Xiang; Tay, Wee Shan; Li, Yongxin; Pullarkat, Sumod A.; Leung, Pak-Hing","Mechanistic insights into the role of PC- and PCP-type palladium catalysts in asymmetric hydrophosphination of activated alkenes incorporating potential coordinating heteroatoms.","Dalton transactions (Cambridge, England : 2003)","2016","45","34","13449","13455","10.1039/c6dt02588a","","","0.71073","MoKα","","0.1557","0.0674","","","0.1127","0.1461","","","","","","0.947","","","","has coordinates","186416","2020-10-21","18:00:00",""
"7040032","16.506","0.003","14.607","0.002","21.516","0.003","90","","93.218","0.002","90","","5179.4","1.4","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C53 H76 N4 P2 S2 -","- C53 H76 N4 P2 S2 -","- C212 H304 N16 P8 S8 -","4","1","","Giffin, Nick A.; Hendsbee, Arthur D.; Masuda, Jason D.","Reactions of a persistent phosphinyl radical/diphosphine with heteroallenes.","Dalton transactions (Cambridge, England : 2003)","2016","45","32","12636","12638","10.1039/c6dt02790c","","","0.71073","MoKα","","0.1491","0.066","","","0.1196","0.1538","","","","","","1.012","","","","has coordinates","186443","2020-10-21","18:00:00",""
"7040033","12.751","0.006","13.14","0.006","17.906","0.009","86.729","0.007","85.693","0.008","65.164","0.007","2714","2","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C59 H81 N5 P2 S -","- C59 H81 N5 P2 S -","- C118 H162 N10 P4 S2 -","2","1","","Giffin, Nick A.; Hendsbee, Arthur D.; Masuda, Jason D.","Reactions of a persistent phosphinyl radical/diphosphine with heteroallenes.","Dalton transactions (Cambridge, England : 2003)","2016","45","32","12636","12638","10.1039/c6dt02790c","","","0.71073","MoKα","","0.3317","0.1097","","","0.1989","0.3029","","","","","","0.947","","","","has coordinates","186443","2020-10-21","18:00:00",""
"7040034","29.594","0.007","19.28","0.005","22.869","0.006","90","","112.239","0.003","90","","12078","5","130","2","130","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C59 H81 N5 O P2 -","- C59 H81 N5 O P2 -","- C472 H648 N40 O8 P16 -","8","1","","Giffin, Nick A.; Hendsbee, Arthur D.; Masuda, Jason D.","Reactions of a persistent phosphinyl radical/diphosphine with heteroallenes.","Dalton transactions (Cambridge, England : 2003)","2016","45","32","12636","12638","10.1039/c6dt02790c","","","0.71073","MoKα","","0.102","0.056","","","0.1218","0.1368","","","","","","0.921","","","","has coordinates","186443","2020-10-21","18:00:00",""
"7040035","9.991","0.003","6.986","0.002","12.879","0.004","90","","112.856","0.005","90","","828.3","0.4","143","2","143","2","","","","","","","","8","P 1 21 1","P 2yb","4","","","","- C13 H16 B Co F4 N4 Na O2 -","- C13 H16 B Co F4 N4 Na O2 -","- C26 H32 B2 Co2 F8 N8 Na2 O4 -","2","1","","Corona, Teresa; Company, Anna","Nitrous oxide activation by a cobalt(ii) complex for aldehyde oxidation under mild conditions.","Dalton transactions (Cambridge, England : 2003)","2016","45","37","14530","14533","10.1039/c6dt01704e","","","0.71073","MoKα","","0.1192","0.0989","","","0.2662","0.3121","","","","","","1.264","","","","has coordinates,has disorder","187150","2020-10-21","18:00:00",""
"7040036","8.001","0.015","9.657","0.019","12.97","0.02","92.1","0.03","102.94","0.03","105.15","0.03","938","3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H25 Co N4 O5 -","- C18 H25 Co N4 O5 -","- C36 H50 Co2 N8 O10 -","2","1","","Corona, Teresa; Company, Anna","Nitrous oxide activation by a cobalt(ii) complex for aldehyde oxidation under mild conditions.","Dalton transactions (Cambridge, England : 2003)","2016","45","37","14530","14533","10.1039/c6dt01704e","","","0.71073","MoKα","","0.1047","0.073","","","0.1763","0.198","","","","","","1.019","","","","has coordinates,has disorder","187150","2020-10-21","18:00:00",""
"7040037","18.5653","0.0006","18.5653","0.0006","23.9636","0.0011","90","","90","","120","","7153","0.5","296","2","296","2","","","","","","","","5","P 63/m m c","-P 6c 2c","194","","","","- C20 H13 Cu2 N3 O10 -","- C20 H13 Cu2 N3 O10 -","- C120 H78 Cu12 N18 O60 -","6","0.25","","Jiao, Jingjing; Dou, Li; Liu, Huimin; Chen, Fengli; Bai, Dongjie; Feng, Yunlong; Xiong, Shunshun; Chen, De-Li; He, Yabing","An aminopyrimidine-functionalized cage-based metal-organic framework exhibiting highly selective adsorption of C2H2 and CO2 over CH4.","Dalton transactions (Cambridge, England : 2003)","2016","45","34","13373","13382","10.1039/c6dt02150f","","","0.71073","MoKα","","0.1025","0.0777","","","0.1628","0.1773","","","","","","1.168","","","","has coordinates","186394","2020-10-21","18:00:00",""
"7040038","31.65","0.004","13.2146","0.0015","16.8363","0.0019","90","","90","","90","","7041.6","1.4","173","2","173","2","","","","","","","","7","P c c n","-P 2ab 2ac","56","","","","- C56 H60 F12 N12 O14 Rh2 S4 -","- C56 H62 F12 N12 O14 Rh2 S4 -","- C224 H248 F48 N48 O56 Rh8 S16 -","4","0.5","","Liu, Jing-Jing; Lin, Yue-Jian; Li, Zhen-Hua; Jin, Guo-Xin","Self-assembled half-sandwich polyhedral cages via flexible Schiff-base ligands: an unusual macrocycle-to-cage conversion.","Dalton transactions (Cambridge, England : 2003)","2016","45","35","13675","13679","10.1039/c6dt02393b","","","0.71073","MoKα","","0.0831","0.0555","","","0.1438","0.1615","","","","","","1.033","","","","has coordinates","186377","2020-10-21","18:00:00",""
"7040039","19.658","0.017","25.83","0.02","34.51","0.03","90","","97.74","0.013","90","","17363","3","173","2","173","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C124 H138 F24 N20 O28 Rh6 S8 -","- C118 H135 F12 N19 O16 Rh6 S4 -","- C472 H540 F48 N76 O64 Rh24 S16 -","4","1","","Liu, Jing-Jing; Lin, Yue-Jian; Li, Zhen-Hua; Jin, Guo-Xin","Self-assembled half-sandwich polyhedral cages via flexible Schiff-base ligands: an unusual macrocycle-to-cage conversion.","Dalton transactions (Cambridge, England : 2003)","2016","45","35","13675","13679","10.1039/c6dt02393b","","","0.71073","MoKα","","0.1292","0.0839","","","0.237","0.2634","","","","","","0.993","","","","has coordinates,has disorder","186377","2020-10-21","18:00:00",""
"7040040","17.939","0.0007","33.1198","0.0013","36.5625","0.0016","90","","103.848","0.002","90","","21091.7","1.5","150","2","150","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C166 H228 Cl16 F24 N24 O43 Rh8 S8 -","- C157 H176 F21 N24 O38 Rh8 S7 -","- C628 H704 F84 N96 O152 Rh32 S28 -","4","0.5","","Liu, Jing-Jing; Lin, Yue-Jian; Li, Zhen-Hua; Jin, Guo-Xin","Self-assembled half-sandwich polyhedral cages via flexible Schiff-base ligands: an unusual macrocycle-to-cage conversion.","Dalton transactions (Cambridge, England : 2003)","2016","45","35","13675","13679","10.1039/c6dt02393b","","","1.54178","CuKα","","0.159","0.147","","","0.3532","0.3591","","","","","","1.058","","","","has coordinates,has disorder","186377","2020-10-21","18:00:00",""
"7040041","14.562","0.004","23.143","0.006","14.823","0.004","90","","114.904","0.004","90","","4531","2","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C42 H54 Cl5 Ir3 N4 O -","- C42 H54 Cl5 Ir3 N4 O -","- C168 H216 Cl20 Ir12 N16 O4 -","4","1","","Liu, Jing-Jing; Lin, Yue-Jian; Li, Zhen-Hua; Jin, Guo-Xin","Self-assembled half-sandwich polyhedral cages via flexible Schiff-base ligands: an unusual macrocycle-to-cage conversion.","Dalton transactions (Cambridge, England : 2003)","2016","45","35","13675","13679","10.1039/c6dt02393b","","","0.71073","MoKα","","0.1059","0.0445","","","0.1011","0.1269","","","","","","0.99","","","","has coordinates,has disorder","186377","2020-10-21","18:00:00",""
"7040042","14.4394","0.0011","24.988","0.0019","27.232","0.002","90","","90","","90","","9825.6","1.3","173","2","173","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C79 H101 F12 N11 O24 Rh4 S4 -","- C77 H86 F12 N10 O24 Rh4 S4 -","- C308 H344 F48 N40 O96 Rh16 S16 -","4","1","","Liu, Jing-Jing; Lin, Yue-Jian; Li, Zhen-Hua; Jin, Guo-Xin","Self-assembled half-sandwich polyhedral cages via flexible Schiff-base ligands: an unusual macrocycle-to-cage conversion.","Dalton transactions (Cambridge, England : 2003)","2016","45","35","13675","13679","10.1039/c6dt02393b","","","0.71073","MoKα","","0.0777","0.0513","","","0.1173","0.1284","","","","","","0.984","","","","has coordinates","186377","2020-10-21","18:00:00",""
"7040043","18.0477","0.0007","10.3801","0.0004","23.4227","0.0009","90","","96.743","0.001","90","","4357.6","0.3","105","2","105","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","CPO-71-Cu","","- C19 H19 Cu N O7 -","- C19 H19 Cu N O7 -","- C152 H152 Cu8 N8 O56 -","8","1","","Lundvall, F.; Wragg, D. S.; Dietzel, P. D. C.; Fjellvåg, H","Two new Cu(ii) and La(iii) 2D coordination polymers, synthesis and in situ structural analysis by X-ray diffraction.","Dalton transactions (Cambridge, England : 2003)","2016","45","32","12827","12834","10.1039/c6dt02195f","","","0.71073","MoKα","","0.0589","0.0405","","","0.0792","0.0841","","","","","","1.059","","","","has coordinates","186434","2020-10-21","18:00:00",""
"7040044","13.4844","0.0005","14.174","0.0006","15.6448","0.0006","90.463","0.001","105.87","0.001","99.816","0.001","2829.36","0.19","105","2","105.06","","","","","","","","","5","P -1","-P 1","2","","CPO-72-La","","- C54 H64 La2 N2 O27 -","- C54 H64 La2 N2 O27 -","- C108 H128 La4 N4 O54 -","2","1","","Lundvall, F.; Wragg, D. S.; Dietzel, P. D. C.; Fjellvåg, H","Two new Cu(ii) and La(iii) 2D coordination polymers, synthesis and in situ structural analysis by X-ray diffraction.","Dalton transactions (Cambridge, England : 2003)","2016","45","32","12827","12834","10.1039/c6dt02195f","","","0.71073","MoKα","","0.0425","0.0316","","","0.0683","0.072","","","","","","1.103","","","","has coordinates,has disorder","186434","2020-10-21","18:00:00",""
"7040045","23.749","0.006","23.749","0.006","24.831","0.004","90","","90","","90","","14005","5","213","2","213.15","","","","","","","","","4","I -4","I -4","82","","","","- C264 H316 Bi10 O32 -","- C264 H316 Bi10 O32 -","- C528 H632 Bi20 O64 -","2","0.25","","Mendoza-Espinosa, Daniel","Synthesis and characterization of a Bi10O8(OAr)16 oxo-cluster supported by p-tert-butylcalix[5]arene ligands.","Dalton transactions (Cambridge, England : 2003)","2016","45","34","13399","13405","10.1039/c6dt02068b","","","0.71073","MoKα","","0.0873","0.0725","","","0.1826","0.1957","","","","","","1.041","","","","has coordinates","186411","2020-10-21","18:00:00",""
"7040046","17.823","0.003","22.894","0.004","24.124","0.004","68.125","0.003","83.712","0.003","82.884","0.003","9043","3","100","2","100","2","","","","","","","","7","P -1","-P 1","2","1-PMo12","[{(AuLCl)2(μ-OH)}2]3[α-PMo12O40]2","","- C216 H144 Au12 Cl36 Mo24 O86 P14 -","- C216 H144 Au12 Cl36 Mo24 O86 P14 -","- C216 H144 Au12 Cl36 Mo24 O86 P14 -","1","0.5","","Nagashima, Eri; Yoshida, Takuya; Matsunaga, Satoshi; Nomiya, Kenji","The effect of counteranions on the molecular structures of phosphanegold(i) cluster cations formed by polyoxometalate (POM)-mediated clusterization.","Dalton transactions (Cambridge, England : 2003)","2016","45","34","13565","13575","10.1039/c6dt02670b","","","0.71073","MoKα","","0.1685","0.0743","","","0.1684","0.1868","","","","","","0.991","","","","has coordinates","186412","2020-10-21","18:00:00",""
"7040047","15.019","0.003","15.422","0.003","15.667","0.003","74.16","0.03","64.13","0.03","64.2","0.03","2924.2","1.4","150","2","150","2","","","","","","","","7","P -1","-P 1","2","2-PF6","[{(AuLCl)3(μ3-O)}2](PF6)2","","- C108 H72 Au6 Cl18 F12 O2 P8 -","- C108 H72 Au6 Cl18 F12 O2 P8 -","- C108 H72 Au6 Cl18 F12 O2 P8 -","1","0.5","","Nagashima, Eri; Yoshida, Takuya; Matsunaga, Satoshi; Nomiya, Kenji","The effect of counteranions on the molecular structures of phosphanegold(i) cluster cations formed by polyoxometalate (POM)-mediated clusterization.","Dalton transactions (Cambridge, England : 2003)","2016","45","34","13565","13575","10.1039/c6dt02670b","","","0.71073","MoKα","","0.0553","0.0497","","","0.1219","0.1259","","","","","","1.072","","","","has coordinates","186412","2020-10-21","18:00:00",""
"7040048","15.9305","0.0003","15.9305","0.0003","17.083","0.0008","90","","90","","90","","4335.3","0.2","100","2","100","2","","","","","","","","7","P 42/n :2","-P 4bc","86","4-OTf","[{(AuLF)2(μ-OH)}2](OTf)2","","- C74 H48 Au4 F18 O8 P4 S2 -","- C74 H48 Au4 F18 O8 P4 S2 -","- C148 H96 Au8 F36 O16 P8 S4 -","2","0.25","","Nagashima, Eri; Yoshida, Takuya; Matsunaga, Satoshi; Nomiya, Kenji","The effect of counteranions on the molecular structures of phosphanegold(i) cluster cations formed by polyoxometalate (POM)-mediated clusterization.","Dalton transactions (Cambridge, England : 2003)","2016","45","34","13565","13575","10.1039/c6dt02670b","","","0.71073","MoKα","","0.0647","0.0522","","","0.1505","0.1586","","","","","","1.111","","","","has coordinates","186412","2020-10-21","18:00:00",""
"7040049","22.6489","0.0007","22.6489","0.0007","23.3214","0.0009","90","","90","","90","","11963.2","0.7","150","2","150","2","","","","","","","","8","P 4/n :2","-P 4a","85","3-PMo12PF6","[{(AuLCl)4(μ4-O)}]2[α-PMo12O40]PF6","","- C164 H144 Au8 Cl32 F6 Mo12 O50 P10 -","- C164 H144 Au8 Cl32 F6 Mo12 O50 P10 -","- C328 H288 Au16 Cl64 F12 Mo24 O100 P20 -","2","0.25","","Nagashima, Eri; Yoshida, Takuya; Matsunaga, Satoshi; Nomiya, Kenji","The effect of counteranions on the molecular structures of phosphanegold(i) cluster cations formed by polyoxometalate (POM)-mediated clusterization.","Dalton transactions (Cambridge, England : 2003)","2016","45","34","13565","13575","10.1039/c6dt02670b","","","0.71075","MoKα","","0.0882","0.0824","","","0.2822","0.2888","","","","","","1.033","","","","has coordinates","186412","2020-10-21","18:00:00",""
"7040050","9.2065","0.0011","16.4984","0.0019","24.699","0.002","90","","98.084","0.004","90","","3714.3","0.7","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C41 H36 Fe I2 N8 -","- C41 H36 Fe I2 N8 -","- C164 H144 Fe4 I8 N32 -","4","1","","Pinto, Mara F.; Cardoso, Bernardo de P; Barroso, Sónia; Martins, Ana M.; Royo, Beatriz","Chelating bis-N-heterocyclic carbene complexes of iron(ii) containing bipyridyl ligands as catalyst precursors for oxidation of alcohols.","Dalton transactions (Cambridge, England : 2003)","2016","45","34","13541","13546","10.1039/c6dt02718k","","x-ray","0.71073","MoKα","","0.0679","0.0391","","","0.0729","0.0789","","","","","","0.97","","","","has coordinates","186414","2020-10-21","18:00:00",""
"7040051","36.181","0.003","10.2086","0.0006","19.477","0.002","90","","107.983","0.01","90","","6842.5","1.1","150","","150","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","Complex [Fe(cis-5)][(BF4)2]","","","- C66 H63 B4 F16 Fe2 N13 -","- C66 H63 B4 F16 Fe2 N13 -","- C264 H252 B16 F64 Fe8 N52 -","4","0.5","","Petzold, Holm; Djomgoue, Paul; Hörner, Gerald; Speck, J Matthäus; Rüffer, Tobias; Schaarschmidt, Dieter","(1)H NMR spectroscopic elucidation in solution of the kinetics and thermodynamics of spin crossover for an exceptionally robust Fe(2+) complex.","Dalton transactions (Cambridge, England : 2003)","2016","45","35","13798","13809","10.1039/c6dt01895e","","","0.71073","MoKα","","0.0842","0.0701","","","0.197","0.2144","","","","","","1.053","","","","has coordinates,has disorder","186374","2020-10-21","18:00:00",""
"7040052","14.2146","0.0012","26.2737","0.0019","22.698","0.003","90","","101.469","0.01","90","","8307.8","1.5","110","","110","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C70 H71 B4 F16 Fe2 N13 -","- C70 H71 B4 F16 Fe2 N13 -","- C280 H284 B16 F64 Fe8 N52 -","4","1","","Petzold, Holm; Djomgoue, Paul; Hörner, Gerald; Speck, J Matthäus; Rüffer, Tobias; Schaarschmidt, Dieter","(1)H NMR spectroscopic elucidation in solution of the kinetics and thermodynamics of spin crossover for an exceptionally robust Fe(2+) complex.","Dalton transactions (Cambridge, England : 2003)","2016","45","35","13798","13809","10.1039/c6dt01895e","","","1.54184","CuKα","","0.1405","0.0851","","","0.2101","0.2481","","","","","","0.923","","","","has coordinates,has disorder","186374","2020-10-21","18:00:00",""
"7040053","23.4625","0.0001","10.3557","0.0002","16.8781","0.0004","90","","119.285","0.002","90","","3576.78","0.13","150","","150","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C36 H36 Cl2 N8 O8 Zn -","- C36 H36 Cl2 N8 O8 Zn -","- C144 H144 Cl8 N32 O32 Zn4 -","4","0.5","","Petzold, Holm; Djomgoue, Paul; Hörner, Gerald; Speck, J Matthäus; Rüffer, Tobias; Schaarschmidt, Dieter","(1)H NMR spectroscopic elucidation in solution of the kinetics and thermodynamics of spin crossover for an exceptionally robust Fe(2+) complex.","Dalton transactions (Cambridge, England : 2003)","2016","45","35","13798","13809","10.1039/c6dt01895e","","","0.71073","MoKα","","0.0428","0.0365","","","0.1004","0.1023","","","","","","1.093","","","","has coordinates,has disorder","186374","2020-10-21","18:00:00",""
"7040054","14.5861","0.0003","13.0946","0.0003","17.1156","0.0003","90","","99.518","0.002","90","","3224.06","0.12","110","","110","","","","","","","","","7","I 1 2 1","I 2y","5","","","","- C132 H126 Cl8 Fe2 N26 O32 Zn2 -","- C132 H126 Cl8 Fe2 N26 O32 Zn2 -","- C132 H126 Cl8 Fe2 N26 O32 Zn2 -","1","0.25","","Petzold, Holm; Djomgoue, Paul; Hörner, Gerald; Speck, J Matthäus; Rüffer, Tobias; Schaarschmidt, Dieter","(1)H NMR spectroscopic elucidation in solution of the kinetics and thermodynamics of spin crossover for an exceptionally robust Fe(2+) complex.","Dalton transactions (Cambridge, England : 2003)","2016","45","35","13798","13809","10.1039/c6dt01895e","","","0.71073","MoKα","","0.0361","0.0317","","","0.0809","0.084","","","","","","1.019","","","","has coordinates,has disorder","186374","2020-10-21","18:00:00",""
"7040055","17.0747","0.0005","9.8281","0.0003","36.01","0.0011","90","","98.327","0.003","90","","5979.2","0.3","115","","115","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C30 H34 B2 F8 Fe N6 -","- C30 H34 B2 F8 Fe N6 -","- C240 H272 B16 F64 Fe8 N48 -","8","2","","Petzold, Holm; Djomgoue, Paul; Hörner, Gerald; Speck, J Matthäus; Rüffer, Tobias; Schaarschmidt, Dieter","(1)H NMR spectroscopic elucidation in solution of the kinetics and thermodynamics of spin crossover for an exceptionally robust Fe(2+) complex.","Dalton transactions (Cambridge, England : 2003)","2016","45","35","13798","13809","10.1039/c6dt01895e","","","0.71073","MoKα","","0.0634","0.0522","","","0.1224","0.1273","","","","","","1.085","","","","has coordinates","186374","2020-10-21","18:00:00",""
"7040056","12.1532","0.0017","21.943","0.003","22.09","0.003","68.884","0.004","81.902","0.006","80.57","0.005","5399.6","1.3","173.15","","173.15","","","","","","","","","6","P -1","-P 1","2","","(2,3-dihydrobenzofuran-2-yl)methyl rhodium porphyrin","","- C117.35 H97.35 I0.07 N8 O10.93 Rh2 -","- C117.352 H97.352 I0.072 N8 O10.928 Rh2 -","- C234.704 H194.704 I0.144 N16 O21.856 Rh4 -","2","1","","Liu, Xu; Wang, Zikuan; Fu, Xuefeng","Light induced catalytic intramolecular hydrofunctionalization of allylphenols mediated by porphyrin rhodium(iii) complexes.","Dalton transactions (Cambridge, England : 2003)","2016","45","34","13308","13310","10.1039/c6dt01653g","","","0.71073","MoKα","","0.109","0.0863","","","0.2454","0.2668","","","","","","1.062","","","","has coordinates,has disorder","186408","2020-10-21","18:00:00",""
"7040057","19.7186","0.0006","10.8796","0.0002","23.3108","0.0006","90","","93.68","0.002","90","","4990.6","0.2","150","2","150","2","","","","","","","","9","P 1 21 1","P 2yb","4","","","","- C78 H90 Ag2 Cl10 F18 N6 O7 P4 S2 -","- C78 H89 Ag2 Cl10 F18 N6 O7 P4 S2 -","- C156 H178 Ag4 Cl20 F36 N12 O14 P8 S4 -","2","1","","Bouché, Mathilde; Mordan, Michael; Kariuki, Benson M.; Coles, Simon J.; Christensen, Jeppe; Newman, Paul D.","Mono- and dimeric complexes of an asymmetric heterotopic P,CNHC,pyr ligand.","Dalton transactions (Cambridge, England : 2003)","2016","45","34","13347","13360","10.1039/c6dt02476a","","","1.54184","CuKα","","0.0941","0.087","","","0.2411","0.2493","","","","","","1.067","","","","has coordinates","186417","2020-10-21","18:00:00",""
"7040058","14.4471","0.0002","14.4471","0.0002","69.8751","0.0012","90","","90","","90","","14584.2","0.4","150","2","150","2","","","","","","","","6","P 43 21 2","P 4nw 2abw","96","","","","- C70 H76 Au2 F12 N6 P4 -","- C70 H76 Au2 F12.006 N6 P4.001 -","- C560 H608 Au16 F96.048 N48 P32.008 -","8","1","","Bouché, Mathilde; Mordan, Michael; Kariuki, Benson M.; Coles, Simon J.; Christensen, Jeppe; Newman, Paul D.","Mono- and dimeric complexes of an asymmetric heterotopic P,CNHC,pyr ligand.","Dalton transactions (Cambridge, England : 2003)","2016","45","34","13347","13360","10.1039/c6dt02476a","","","1.54184","CuKα","","0.0838","0.0749","","","0.1874","0.1941","","","","","","1.098","","","","has coordinates,has disorder","186417","2020-10-21","18:00:00",""
"7040059","10.5073","0.0004","12.4401","0.0005","14.0349","0.0006","73.907","0.004","71.633","0.004","87.024","0.003","1671.58","0.13","150","2","150","2","","","","","","","","7","P 1","P 1","1","","","","- C73.09 H84.19 Au F6 N6 O0.77 P3 -","- C73.092 H84.184 Au F6 N6 O0.773 P3 -","- C73.092 H84.184 Au F6 N6 O0.773 P3 -","1","1","","Bouché, Mathilde; Mordan, Michael; Kariuki, Benson M.; Coles, Simon J.; Christensen, Jeppe; Newman, Paul D.","Mono- and dimeric complexes of an asymmetric heterotopic P,CNHC,pyr ligand.","Dalton transactions (Cambridge, England : 2003)","2016","45","34","13347","13360","10.1039/c6dt02476a","","","0.71073","MoKα","","0.0419","0.0412","","","0.091","0.0923","","","","","","1.026","","","","has coordinates,has disorder","186417","2020-10-21","18:00:00",""
"7040060","21.4948","0.0003","21.4948","0.0003","19.2489","0.0005","90","","90","","90","","8893.5","0.3","293","2","293","2","","","","","","","","8","I 4","I 4","79","","","","- C43 H53 Cl F6 N3 O2 P2 Pt -","- C43 H53 Cl F6 N3 O2 P2 Pt -","- C344 H424 Cl8 F48 N24 O16 P16 Pt8 -","8","1","","Bouché, Mathilde; Mordan, Michael; Kariuki, Benson M.; Coles, Simon J.; Christensen, Jeppe; Newman, Paul D.","Mono- and dimeric complexes of an asymmetric heterotopic P,CNHC,pyr ligand.","Dalton transactions (Cambridge, England : 2003)","2016","45","34","13347","13360","10.1039/c6dt02476a","","","0.71073","MoKα","","0.048","0.0303","","","0.0561","0.0634","","","","","","1.047","","","","has coordinates","186417","2020-10-21","18:00:00",""
"7040061","10.9383","0.0003","19.4448","0.0003","17.0362","0.0004","90","","108.045","0.003","90","","3445.26","0.15","100","2","100","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C35 H38 Cl F6 N3 Ni P2 -","- C35 H38 Cl F6 N3 Ni P2 -","- C140 H152 Cl4 F24 N12 Ni4 P8 -","4","2","","Bouché, Mathilde; Mordan, Michael; Kariuki, Benson M.; Coles, Simon J.; Christensen, Jeppe; Newman, Paul D.","Mono- and dimeric complexes of an asymmetric heterotopic P,CNHC,pyr ligand.","Dalton transactions (Cambridge, England : 2003)","2016","45","34","13347","13360","10.1039/c6dt02476a","","x-ray","0.71075","MoKα","K-L~3~","0.0755","0.06","","","0.1573","0.1694","","","","","","1.022","","","","has coordinates","186417","2020-10-21","18:00:00",""
"7040062","10.0849","0.0002","15.7236","0.0004","25.0744","0.0006","90","","100.252","0.002","90","","3912.59","0.16","150","2","150","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C74 H84 Cl2 F12 N8 P4 Pt -","- C74 H84 Cl2 F12 N8 P4 Pt -","- C148 H168 Cl4 F24 N16 P8 Pt2 -","2","1","","Bouché, Mathilde; Mordan, Michael; Kariuki, Benson M.; Coles, Simon J.; Christensen, Jeppe; Newman, Paul D.","Mono- and dimeric complexes of an asymmetric heterotopic P,CNHC,pyr ligand.","Dalton transactions (Cambridge, England : 2003)","2016","45","34","13347","13360","10.1039/c6dt02476a","","","0.71073","MoKα","","0.0515","0.046","","","0.1086","0.1123","","","","","","1.076","","","","has coordinates,has disorder","186417","2020-10-21","18:00:00",""
"7040063","10.23","0.0002","20.0348","0.0006","33.3052","0.001","90","","89.963","0.001","90","","6826.1","0.3","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","(BDI)Nb(NtBu)Cp","","","- C38 H55 N3 Nb -","- C38 H55 N3 Nb -","- C304 H440 N24 Nb8 -","8","2","","Ziegler, Jessica A.; Bergman, Robert G.; Arnold, John","Unusual κ1 coordination of a β-diketiminate ligand in niobium complexes.","Dalton transactions (Cambridge, England : 2003)","2016","45","32","12661","12668","10.1039/c6dt02373h","","","0.71073","MoKα","","0.0337","0.0296","","","0.069","0.0713","","","","","","1.026","","","","has coordinates","186445","2020-10-21","18:00:00",""
"7040064","16.8167","0.0005","19.9697","0.0006","20.4459","0.0005","90","","90.001","0.001","90","","6866.2","0.3","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","(BDI)Nb(NtBu)CpH","","","- C38 H56 N3 Nb -","- C38 H56 N3 Nb -","- C304 H448 N24 Nb8 -","8","2","","Ziegler, Jessica A.; Bergman, Robert G.; Arnold, John","Unusual κ1 coordination of a β-diketiminate ligand in niobium complexes.","Dalton transactions (Cambridge, England : 2003)","2016","45","32","12661","12668","10.1039/c6dt02373h","","","0.71073","MoKα","","0.0377","0.0316","","","0.0766","0.0803","","","","","","1.035","","","","has coordinates","186445","2020-10-21","18:00:00",""
"7040065","17.283","0.005","17.704","0.005","19.633","0.005","66.416","0.005","83.348","0.005","88.954","0.005","5466","3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","[(BDI)CpNb(NtBu)][BPh4]","","","- C62.5 H76 B Cl N3 Nb -","- C62 H75 B N3 Nb -","- C248 H300 B4 N12 Nb4 -","4","2","","Ziegler, Jessica A.; Bergman, Robert G.; Arnold, John","Unusual κ1 coordination of a β-diketiminate ligand in niobium complexes.","Dalton transactions (Cambridge, England : 2003)","2016","45","32","12661","12668","10.1039/c6dt02373h","","","0.71073","MoKα","","0.0469","0.036","","","0.08","0.0857","","","","","","1.03","","","","has coordinates,has disorder","186445","2020-10-21","18:00:00",""
"7040066","17.812","0.005","17.474","0.005","23.717","0.005","90","","90","","90","","7382","3","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","(BDI)CpClNb(NtBu)","","","- C38 H55 Cl N3 Nb -","- C38 H55 Cl N3 Nb -","- C304 H440 Cl8 N24 Nb8 -","8","1","","Ziegler, Jessica A.; Bergman, Robert G.; Arnold, John","Unusual κ1 coordination of a β-diketiminate ligand in niobium complexes.","Dalton transactions (Cambridge, England : 2003)","2016","45","32","12661","12668","10.1039/c6dt02373h","","","0.71073","MoKα","","0.0448","0.0405","","","0.0994","0.1016","","","","","","1.146","","","","has coordinates","186445","2020-10-21","18:00:00",""
"7040067","11.299","0.004","11.385","0.005","13.084","0.005","102.717","0.006","98.844","0.007","109.533","0.007","1499.3","1","296","","296","","","","","","","","","7","P -1","-P 1","2","","","","- C32 H28 Ag3 Mo12 N4 O42 P -","- C32 H28 Ag3 Mo12 N4 O42 P -","- C32 H28 Ag3 Mo12 N4 O42 P -","1","0.5","","Tian, Aixiang; Tian, Yan; Ning, Yali; Hou, Xue; Ni, Huaiping; Ji, Xuebin; Liu, Guocheng; Ying, Jun","A series of Keggin-based compounds constructed by conjugate ring-rich pyrazine and quinoxaline derivatives.","Dalton transactions (Cambridge, England : 2003)","2016","45","35","13925","13936","10.1039/c6dt02233b","","","0.71073","MoKα","","0.1096","0.0608","","","0.1415","0.168","","","","","","0.995","","","","has coordinates,has disorder","186370","2020-10-21","18:00:00",""
"7040068","17.9317","0.0008","18.5613","0.0009","20.1606","0.001","111.883","0.001","94.94","0.001","107.662","0.001","5780.7","0.5","293","","293.15","","","","","","","","","6","P -1","-P 1","2","","","","- C80 H60 Mo16 N10 O40 Si -","- C80 H60 Mo16 N10 O40 Si -","- C160 H120 Mo32 N20 O80 Si2 -","2","1","","Tian, Aixiang; Tian, Yan; Ning, Yali; Hou, Xue; Ni, Huaiping; Ji, Xuebin; Liu, Guocheng; Ying, Jun","A series of Keggin-based compounds constructed by conjugate ring-rich pyrazine and quinoxaline derivatives.","Dalton transactions (Cambridge, England : 2003)","2016","45","35","13925","13936","10.1039/c6dt02233b","","","0.71073","MoKα","","0.1015","0.0582","","","0.155","0.1771","","","","","","1.029","","","","has coordinates","186370","2020-10-21","18:00:00",""
"7040069","13.1098","0.001","13.96","0.0011","24.0311","0.0018","103.422","0.002","98.057","0.002","98.163","0.002","4165.5","0.6","293","","293","","","","","","","","","7","P -1","-P 1","2","","","","- C60 H42 Ag3 Mo12 N6 O40 P -","- C60 H42 Ag3 Mo12 N6 O40 P -","- C120 H84 Ag6 Mo24 N12 O80 P2 -","2","1","","Tian, Aixiang; Tian, Yan; Ning, Yali; Hou, Xue; Ni, Huaiping; Ji, Xuebin; Liu, Guocheng; Ying, Jun","A series of Keggin-based compounds constructed by conjugate ring-rich pyrazine and quinoxaline derivatives.","Dalton transactions (Cambridge, England : 2003)","2016","45","35","13925","13936","10.1039/c6dt02233b","","","0.71073","MoKα","","0.1996","0.0758","","","0.1508","0.2004","","","","","","1.01","","","","has coordinates","186370","2020-10-21","18:00:00",""
"7040070","16.9259","0.0006","13.7086","0.0005","21.2814","0.0008","90","","101.153","0.001","90","","4844.7","0.3","293","2","293","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C72 H100 Ag2 Mo12 N6 O40 Si -","- C72 H100 Ag2 Mo12 N6 O40 Si -","- C144 H200 Ag4 Mo24 N12 O80 Si2 -","2","0.5","","Tian, Aixiang; Tian, Yan; Ning, Yali; Hou, Xue; Ni, Huaiping; Ji, Xuebin; Liu, Guocheng; Ying, Jun","A series of Keggin-based compounds constructed by conjugate ring-rich pyrazine and quinoxaline derivatives.","Dalton transactions (Cambridge, England : 2003)","2016","45","35","13925","13936","10.1039/c6dt02233b","","","0.71073","MoKα","","0.0812","0.0478","","","0.0905","0.1035","","","","","","1.018","","","","has coordinates,has disorder","186370","2020-10-21","18:00:00",""
"7040071","13.2679","0.0006","13.765","0.0006","23.3329","0.0011","79.509","0.001","84.731","0.001","88.464","0.001","4172.2","0.3","293","","293","","","","","","","","","7","P -1","-P 1","2","","","","- C60 H42 Cu3 Mo12 N6 O40 P -","- C60 H42 Cu3 Mo12 N6 O40 P -","- C120 H84 Cu6 Mo24 N12 O80 P2 -","2","1","","Tian, Aixiang; Tian, Yan; Ning, Yali; Hou, Xue; Ni, Huaiping; Ji, Xuebin; Liu, Guocheng; Ying, Jun","A series of Keggin-based compounds constructed by conjugate ring-rich pyrazine and quinoxaline derivatives.","Dalton transactions (Cambridge, England : 2003)","2016","45","35","13925","13936","10.1039/c6dt02233b","","","0.71073","MoKα","","0.0847","0.0459","","","0.101","0.1111","","","","","","1.023","","","","has coordinates","186370","2020-10-21","18:00:00",""
"7040072","11.479","0.002","10.789","0.002","13.77","0.003","90","","113","0.03","90","","1569.8","0.6","102","2","102","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C28 H42 N4 Ni3 O12 -","- C28 H42 N4 Ni3 O12 -","- C56 H84 N8 Ni6 O24 -","2","0.5","","Shin, Jong Won; Jeong, Ah Rim; Lee, Sun Young; Kim, Cheal; Hayami, Shinya; Min, Kil Sik","Trinuclear nickel and cobalt complexes containing unsymmetrical tripodal tetradentate ligands: syntheses, structural, magnetic, and catalytic properties.","Dalton transactions (Cambridge, England : 2003)","2016","45","36","14089","14100","10.1039/c6dt02701f","","","0.63","synchrotron","","0.0289","0.0281","","","0.0776","0.0781","","","","","","1.037","","","","has coordinates","187108","2020-10-21","18:00:00",""
"7040073","11.6737","0.0012","10.8739","0.0012","13.8627","0.0015","90","","112.781","0.002","90","","1622.4","0.3","200","2","200","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C28 H42 Co3 N4 O12 -","- C28 H42 Co3 N4 O12 -","- C56 H84 Co6 N8 O24 -","2","0.5","","Shin, Jong Won; Jeong, Ah Rim; Lee, Sun Young; Kim, Cheal; Hayami, Shinya; Min, Kil Sik","Trinuclear nickel and cobalt complexes containing unsymmetrical tripodal tetradentate ligands: syntheses, structural, magnetic, and catalytic properties.","Dalton transactions (Cambridge, England : 2003)","2016","45","36","14089","14100","10.1039/c6dt02701f","","","0.71073","MoKα","","0.0965","0.0534","","","0.1221","0.1982","","","","","","1.149","","","","has coordinates","187108","2020-10-21","18:00:00",""
"7040074","7.919","0.0016","23.274","0.005","9.49","0.0019","90","","94.12","0.03","90","","1744.6","0.6","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C32 H48 Co3 N4 O12 -","- C32 H48 Co3 N4 O12 -","- C64 H96 Co6 N8 O24 -","2","0.5","","Shin, Jong Won; Jeong, Ah Rim; Lee, Sun Young; Kim, Cheal; Hayami, Shinya; Min, Kil Sik","Trinuclear nickel and cobalt complexes containing unsymmetrical tripodal tetradentate ligands: syntheses, structural, magnetic, and catalytic properties.","Dalton transactions (Cambridge, England : 2003)","2016","45","36","14089","14100","10.1039/c6dt02701f","","","0.63","synchrotron","","0.0677","0.0445","","","0.1155","0.1231","","","","","","1.027","","","","has coordinates","187108","2020-10-21","18:00:00",""
"7040075","8.911","0.0018","11.271","0.002","12.327","0.003","68.28","0.03","75.7","0.03","77.19","0.03","1102.8","0.5","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C25 H49 Cl8 Cu4 N13 -","- C25 H49 Cl8 Cu4 N13 -","- C25 H49 Cl8 Cu4 N13 -","1","0.5","","Wiesner, Sven; Wagner, Arne; Kaifer, Elisabeth; Himmel, Hans-Jörg","The control of the electronic structure of dinuclear copper complexes of redox-active tetrakisguanidine ligands by the environment.","Dalton transactions (Cambridge, England : 2003)","2016","45","40","15828","15839","10.1039/c6dt02128j","","","0.71073","MoKα","","0.0873","0.0607","","","0.1439","0.1545","","","","","","1.039","","","","has coordinates,has disorder","188223","2020-10-21","18:00:00",""
"7040076","10.468","0.002","11.042","0.002","12.834","0.003","113.89","0.03","104.28","0.03","95.38","0.03","1282.7","0.6","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C28 H53.5 Cl6 Cu3 N14.5 -","- C28 H53.5 Cl6 Cu3 N14.5 -","- C28 H53.5 Cl6 Cu3 N14.5 -","1","0.5","","Wiesner, Sven; Wagner, Arne; Kaifer, Elisabeth; Himmel, Hans-Jörg","The control of the electronic structure of dinuclear copper complexes of redox-active tetrakisguanidine ligands by the environment.","Dalton transactions (Cambridge, England : 2003)","2016","45","40","15828","15839","10.1039/c6dt02128j","","","0.71073","MoKα","","0.1248","0.0745","","","0.2212","0.2457","","","","","","1.047","","","","has coordinates,has disorder","188223","2020-10-21","18:00:00",""
"7040077","9.745","0.002","15.441","0.003","15.747","0.003","90","","99.3","0.03","90","","2338.3","0.8","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H50 Br4 Cu2 N12 -","- C26 H50 Br4 Cu2 N12 -","- C52 H100 Br8 Cu4 N24 -","2","0.5","","Wiesner, Sven; Wagner, Arne; Kaifer, Elisabeth; Himmel, Hans-Jörg","The control of the electronic structure of dinuclear copper complexes of redox-active tetrakisguanidine ligands by the environment.","Dalton transactions (Cambridge, England : 2003)","2016","45","40","15828","15839","10.1039/c6dt02128j","","","0.71073","MoKα","","0.0896","0.057","","","0.1504","0.1639","","","","","","0.98","","","","has coordinates","188223","2020-10-21","18:00:00",""
"7040078","6.535","0.0013","20.853","0.004","13.101","0.003","90","","98.89","0.03","90","","1763.9","0.6","100","","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C26 H50 Cl4 Cu2 N12 -","- C26 H50 Cl4 Cu2 N12 -","- C52 H100 Cl8 Cu4 N24 -","2","0.5","","Wiesner, Sven; Wagner, Arne; Kaifer, Elisabeth; Himmel, Hans-Jörg","The control of the electronic structure of dinuclear copper complexes of redox-active tetrakisguanidine ligands by the environment.","Dalton transactions (Cambridge, England : 2003)","2016","45","40","15828","15839","10.1039/c6dt02128j","","","0.71073","MoKα","","0.0769","0.0413","","","0.0856","0.0965","","","","","","1.013","","","","has coordinates","188223","2020-10-21","18:00:00",""
"7040079","14.328","0.002","8.7698","0.0013","25.005","0.004","90","","93.489","0.007","90","","3136.1","0.8","200","2","200","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C34 H46 N3 Zn -","- C34 H46 N3 Zn -","- C136 H184 N12 Zn4 -","4","1","","Chu, Terry; Belding, Lee; Poddutoori, Prashanth K.; van der Est, Art; Dudding, Travis; Korobkov, Ilia; Nikonov, Georgii I.","Unique molecular geometries of reduced 4- and 5-coordinate zinc complexes stabilised by diiminopyridine ligand.","Dalton transactions (Cambridge, England : 2003)","2016","45","34","13440","13448","10.1039/c6dt02001a","","","0.71073","MoKα","","0.0703","0.0591","","","0.1723","0.1768","","","","","","1.073","","","","has coordinates","186395","2020-10-21","18:00:00",""
"7040080","8.8613","0.0004","12.6319","0.0006","17.9853","0.0008","108.549","0.002","90.012","0.002","93.205","0.002","1905.27","0.15","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","","","- C40 H53 Cl N5 Zn -","- C40 H53 Cl N5 Zn -","- C80 H106 Cl2 N10 Zn2 -","2","1","","Chu, Terry; Belding, Lee; Poddutoori, Prashanth K.; van der Est, Art; Dudding, Travis; Korobkov, Ilia; Nikonov, Georgii I.","Unique molecular geometries of reduced 4- and 5-coordinate zinc complexes stabilised by diiminopyridine ligand.","Dalton transactions (Cambridge, England : 2003)","2016","45","34","13440","13448","10.1039/c6dt02001a","","","0.71073","MoKα","","0.0676","0.0465","","","0.1223","0.1397","","","","","","0.863","","","","has coordinates","186395","2020-10-21","18:00:00",""
"7040081","8.6852","0.0002","13.9641","0.0004","25.8243","0.0007","90","","92.0765","0.0012","90","","3129.94","0.14","200","2","200","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C33 H43 Cl N3 Zn -","- C33 H43 Cl N3 Zn -","- C132 H172 Cl4 N12 Zn4 -","4","1","","Chu, Terry; Belding, Lee; Poddutoori, Prashanth K.; van der Est, Art; Dudding, Travis; Korobkov, Ilia; Nikonov, Georgii I.","Unique molecular geometries of reduced 4- and 5-coordinate zinc complexes stabilised by diiminopyridine ligand.","Dalton transactions (Cambridge, England : 2003)","2016","45","34","13440","13448","10.1039/c6dt02001a","","","0.71073","MoKα","","0.0671","0.0394","","","0.0937","0.1048","","","","","","1.025","","","","has coordinates","186395","2020-10-21","18:00:00",""
"7040082","14.5172","0.0004","18.2605","0.0005","19.9983","0.0005","90.575","0.0017","109.886","0.0015","97.8222","0.0016","4929.9","0.2","200","2","200","2","","","","","","","","4","P -1","-P 1","2","","","","- C100.3 H133.2 N14 Zn2 -","- C100.3 H133.2 N14 Zn2 -","- C200.6 H266.4 N28 Zn4 -","2","1","","Chu, Terry; Belding, Lee; Poddutoori, Prashanth K.; van der Est, Art; Dudding, Travis; Korobkov, Ilia; Nikonov, Georgii I.","Unique molecular geometries of reduced 4- and 5-coordinate zinc complexes stabilised by diiminopyridine ligand.","Dalton transactions (Cambridge, England : 2003)","2016","45","34","13440","13448","10.1039/c6dt02001a","","","0.71073","MoKα","","0.1519","0.0697","","","0.1636","0.1996","","","","","","1.028","","","","has coordinates,has disorder","186395","2020-10-21","18:00:00",""
"7040083","10.0465","0.0006","30.8172","0.0015","13.939","0.0011","90","","98.719","0.002","90","","4265.7","0.5","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C51 H40 Ir N3 O6 -","- C51 H40 Ir N3 O6 -","- C204 H160 Ir4 N12 O24 -","4","1","","Yu, Tianzhi; Xu, Zixuan; Su, Wenming; Zhao, Yuling; Zhang, Hui; Bao, Yanjun","Highly efficient phosphorescent materials based on Ir(iii) complexes-grafted on a polyhedral oligomeric silsesquioxane core.","Dalton transactions (Cambridge, England : 2003)","2016","45","34","13491","13502","10.1039/c6dt02383e","","","1.54178","CuKα","","0.1136","0.062","","","0.108","0.1278","","","","","","1.054","","","","has coordinates","186404","2020-10-21","18:00:00",""
"7040084","15.3129","0.001","15.3337","0.001","23.2194","0.0015","74.682","0.004","77.101","0.004","89.888","0.004","5116.2","0.6","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C44 H46 Cd2 N6 Ni2 O12 S2 -","- C44 H46 Cd2 N6 Ni2 O12 S2 -","- C176 H184 Cd8 N24 Ni8 O48 S8 -","4","2","","Roy, Sourav; Bhattacharyya, Anik; Purkait, Sourav; Bauzá, Antonio; Frontera, Antonio; Chattopadhyay, Shouvik","A combined experimental and computational study on supramolecular assemblies in hetero-tetranuclear nickel(ii)-cadmium(ii) complexes with N2O4-donor compartmental Schiff bases.","Dalton transactions (Cambridge, England : 2003)","2016","45","38","15048","15059","10.1039/c6dt02587k","","","0.71073","MoKα","","0.0944","0.0783","","","0.1941","0.201","","","","","","1.089","","","","has coordinates","188112","2020-10-21","18:00:00",""
"7040085","12.0702","0.0003","20.2522","0.0005","26.6969","0.0007","90","","93.663","0.001","90","","6512.7","0.3","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C52 H66 Cd2 N8 Ni2 O11 S7 -","- C52 H66 Cd2 N8 Ni2 O11 S7 -","- C208 H264 Cd8 N32 Ni8 O44 S28 -","4","1","","Roy, Sourav; Bhattacharyya, Anik; Purkait, Sourav; Bauzá, Antonio; Frontera, Antonio; Chattopadhyay, Shouvik","A combined experimental and computational study on supramolecular assemblies in hetero-tetranuclear nickel(ii)-cadmium(ii) complexes with N2O4-donor compartmental Schiff bases.","Dalton transactions (Cambridge, England : 2003)","2016","45","38","15048","15059","10.1039/c6dt02587k","","","0.71073","MoKα","","0.0619","0.0416","","","0.0942","0.1054","","","","","","1.023","","","","has coordinates,has disorder","188112","2020-10-21","18:00:00",""
"7040086","16.4893","0.0016","14.2294","0.0017","13.3861","0.0012","90","","110.579","0.011","90","","2940.4","0.6","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C24.2 H26.8 Cl2 Co N8.6 O9.8 -","- C24.2 H26.8 Cl2 Co N8.6 O9.8 -","- C96.8 H107.2 Cl8 Co4 N34.4 O39.2 -","4","1","","de Souza, Isabela Cristina Aguiar; Faro, Leticia Villafranca; Pinheiro, Carlos Basilio; Gonzaga, Daniel Tadeu Gomes; da Silva, Fernando de Carvalho; Ferreira, Vitor Francisco; Miranda, Fabio da Silva; Scarpellini, Marciela; Lanznaster, Mauricio","Investigation of cobalt(iii)-triazole systems as prototypes for hypoxia-activated drug delivery.","Dalton transactions (Cambridge, England : 2003)","2016","45","35","13671","13674","10.1039/c6dt02456d","","x-ray","0.71073","MoKα","","0.1087","0.0837","","","0.2074","0.2273","","","","","","1.043","","","","has coordinates,has disorder","186380","2020-10-21","18:00:00",""
"7040087","7.4785","0.0004","14.3009","0.0012","38.1","0.003","90","","92.589","0.006","90","","4070.6","0.5","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C36 H42 Cl6 N8 O -","- C36 H42 Cl6 N8 O -","- C144 H168 Cl24 N32 O4 -","4","1","","Edwards, Alyn C.; Wagner, Christoph; Geist, Andreas; Burton, Neil A.; Sharrad, Clint A.; Adams, Ralph W.; Pritchard, Robin G.; Panak, Petra J.; Whitehead, Roger C.; Harwood, Laurence M.","Exploring electronic effects on the partitioning of actinides(iii) from lanthanides(iii) using functionalised bis-triazinyl phenanthroline ligands.","Dalton transactions (Cambridge, England : 2003)","2016","45","45","18102","18112","10.1039/c6dt02474b","","x-ray","0.71073","MoKα","","0.1521","0.0998","","","0.2374","0.2857","","","","","","1.094","","","","has coordinates","190167","2020-10-21","18:00:00",""
"7040088","13.536","0.005","15.627","0.005","15.848","0.005","102.096","0.005","106.057","0.005","103.057","0.005","3002.8","1.8","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C96 H154 Cl4 N14 Ni8 O56 -","- C96 H154 Cl4 N14 Ni8 O56 -","- C96 H154 Cl4 N14 Ni8 O56 -","1","0.5","","Arora, Himanshu; Cano, Joan; Lloret, Francesc; Mukherjee, Rabindranath","A carboxylate-bridged Ni cluster with a distorted cubane topology: structure, magnetism and density functional studies.","Dalton transactions (Cambridge, England : 2003)","2016","45","36","14174","14183","10.1039/c6dt01833e","","","0.71069","MoKα","","0.132","0.0814","","","0.2015","0.2791","","","","","","1.111","","","","has coordinates","187110","2020-10-21","18:00:00",""
"7040089","24.5611","0.0016","8.8388","0.0006","24.6996","0.0016","90","","93.743","0.001","90","","5350.6","0.6","100","2","100","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C25 H34.5 Cl N O4.25 Rh S -","- C25 H34 Cl N O4.25 Rh S -","- C200 H272 Cl8 N8 O34 Rh8 S8 -","8","4","","Carmona, María; Rodríguez, Ricardo; Lahoz, Fernando J.; García-Orduña, Pilar; Osante, Iñaki; Cativiela, Carlos; López, José A; Carmona, Daniel","Half-sandwich complexes of rhodium containing cysteine-derived ligands.","Dalton transactions (Cambridge, England : 2003)","2016","45","36","14203","14215","10.1039/c6dt02411d","","","0.71073","MoKα","","0.1604","0.124","","","0.268","0.2907","","","","","","1.094","","","","has coordinates","192220","2020-10-21","18:00:00",""
"7040090","9.0609","0.0004","12.3624","0.0005","22.9088","0.0009","90","","90","","90","","2566.12","0.18","100","2","100","2","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C21 H31 F6 N O3 Rh S Sb -","- C21 H31 F6 N O3 Rh S Sb -","- C84 H124 F24 N4 O12 Rh4 S4 Sb4 -","4","1","","Carmona, María; Rodríguez, Ricardo; Lahoz, Fernando J.; García-Orduña, Pilar; Osante, Iñaki; Cativiela, Carlos; López, José A; Carmona, Daniel","Half-sandwich complexes of rhodium containing cysteine-derived ligands.","Dalton transactions (Cambridge, England : 2003)","2016","45","36","14203","14215","10.1039/c6dt02411d","","","0.71073","MoKα","","0.0317","0.0312","","","0.0743","0.0745","","","","","","1.055","","","","has coordinates,has disorder","187111","2020-10-21","18:00:00",""
"7040091","12.326","0.003","11.038","0.003","19.034","0.005","90","","103.541","0.004","90","","2517.7","1.1","100","2","100","2","","","","","","","","8","P 1 21 1","P 2yb","4","","","","- C21 H29 F6 N O2 Rh S Sb -","- C21 H29 F6 N O2 Rh S Sb -","- C84 H116 F24 N4 O8 Rh4 S4 Sb4 -","4","2","","Carmona, María; Rodríguez, Ricardo; Lahoz, Fernando J.; García-Orduña, Pilar; Osante, Iñaki; Cativiela, Carlos; López, José A; Carmona, Daniel","Half-sandwich complexes of rhodium containing cysteine-derived ligands.","Dalton transactions (Cambridge, England : 2003)","2016","45","36","14203","14215","10.1039/c6dt02411d","","","0.71073","MoKα","","0.0885","0.0606","","","0.1136","0.1269","","","","","","1.046","","","","has coordinates,has disorder","187111","2020-10-21","18:00:00",""
"7040092","17.4802","0.001","19.3568","0.0011","7.4057","0.0004","90","","90","","90","","2505.8","0.2","100","2","100","2","","","","","","","","6","P 21 21 2","P 2 2ab","18","","","","- C25 H34 N O4 Rh S -","- C25 H34 N O4 Rh S -","- C100 H136 N4 O16 Rh4 S4 -","4","1","","Carmona, María; Rodríguez, Ricardo; Lahoz, Fernando J.; García-Orduña, Pilar; Osante, Iñaki; Cativiela, Carlos; López, José A; Carmona, Daniel","Half-sandwich complexes of rhodium containing cysteine-derived ligands.","Dalton transactions (Cambridge, England : 2003)","2016","45","36","14203","14215","10.1039/c6dt02411d","","","0.71073","MoKα","","0.0557","0.0434","","","0.0993","0.1064","","","","","","0.985","","","","has coordinates,has disorder","187111","2020-10-21","18:00:00",""
"7040093","12.3808","0.0017","13.1449","0.0017","22.952","0.003","74.656","0.004","82.218","0.004","64.016","0.004","3237.2","0.8","295","","295","","","","","","","","","6","P -1","-P 1","2","","","","- C56 H76 Co3 F6 N4 O18 -","- C56 H76 Co3 F6 N4 O18 -","- C112 H152 Co6 F12 N8 O36 -","2","1","","Singha Mahapatra, Tufan; Basak, Dipmalya; Chand, Santanu; Lengyel, Jeff; Shatruk, Michael; Bertolasi, Valerio; Ray, Debashis","Competitive coordination aggregation for V-shaped [Co3] and disc-like [Co7] complexes: synthesis, magnetic properties and catechol oxidase activity.","Dalton transactions (Cambridge, England : 2003)","2016","45","34","13576","13589","10.1039/c6dt02494g","","","0.71073","MoKα","","0.1113","0.0552","","","0.1227","0.1506","","","","","","1.011","","","","has coordinates,has disorder","186398","2020-10-21","18:00:00",""
"7040094","21.0511","0.0004","21.0511","0.0004","21.0511","0.0004","90","","90","","90","","9328.8","0.3","295","","295","","","","","","","","","6","P a -3","-P 2ac 2ab 3","205","","","","- C84 H126 Cl2 Co7 N6 O24 -","- C84 H126 Cl2 Co7 N6 O24 -","- C336 H504 Cl8 Co28 N24 O96 -","4","0.166667","","Singha Mahapatra, Tufan; Basak, Dipmalya; Chand, Santanu; Lengyel, Jeff; Shatruk, Michael; Bertolasi, Valerio; Ray, Debashis","Competitive coordination aggregation for V-shaped [Co3] and disc-like [Co7] complexes: synthesis, magnetic properties and catechol oxidase activity.","Dalton transactions (Cambridge, England : 2003)","2016","45","34","13576","13589","10.1039/c6dt02494g","","","0.71073","MoKα","","0.0861","0.0697","","","0.206","0.2325","","","","","","1.13","","","","has coordinates,has disorder","186398","2020-10-21","18:00:00",""
"7040095","33.879","0.006","8.1426","0.0014","12.147","0.002","90","","90","","90","","3350.9","1","100","","100","","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C33 H34 Cl2 Co N5 O11 -","- C33 H34 Cl2 Co N5 O11 -","- C132 H136 Cl8 Co4 N20 O44 -","4","1","","Singha Mahapatra, Tufan; Basak, Dipmalya; Chand, Santanu; Lengyel, Jeff; Shatruk, Michael; Bertolasi, Valerio; Ray, Debashis","Competitive coordination aggregation for V-shaped [Co3] and disc-like [Co7] complexes: synthesis, magnetic properties and catechol oxidase activity.","Dalton transactions (Cambridge, England : 2003)","2016","45","34","13576","13589","10.1039/c6dt02494g","","","0.71073","MoKα","","0.086","0.057","","","0.1403","0.1632","","","","","","0.808","","","","has coordinates","186398","2020-10-21","18:00:00",""
"7040096","8.9441","0.0001","14.5843","0.0002","16.6608","0.0002","90","","96.085","0.001","90","","2161.05","0.05","293","2","293","2","","","","","","","synthesis","6","P 1 21/c 1","-P 2ybc","14","","","","- C22 H27 Cl2 O P Ru -","- C22 H27 Cl2 O P Ru -","- C88 H108 Cl8 O4 P4 Ru4 -","4","1","","Tomás-Mendivil, Eder; Francos, Javier; González-Fernández, Rebeca; González-Liste, Pedro J; Borge, Javier; Cadierno, Victorio","Bis(allyl)-ruthenium(iv) complexes with phosphinous acid ligands as catalysts for nitrile hydration reactions.","Dalton transactions (Cambridge, England : 2003)","2016","45","34","13590","13603","10.1039/c6dt02375d","","","0.7107","MoKα","","0.0379","0.028","","","0.0751","0.0772","","","","","","1.026","","","","has coordinates","186405","2020-10-21","18:00:00",""
"7040097","9.7474","0.0002","10.6446","0.0003","12.2667","0.0004","90.845","0.002","108.02","0.002","97.486","0.002","1197.96","0.06","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C24 H30.77 Cl2.23 O0.77 P Ru -","- C24 H30.772 Cl2.228 O0.772 P Ru -","- C48 H61.544 Cl4.456 O1.544 P2 Ru2 -","2","1","","Tomás-Mendivil, Eder; Francos, Javier; González-Fernández, Rebeca; González-Liste, Pedro J; Borge, Javier; Cadierno, Victorio","Bis(allyl)-ruthenium(iv) complexes with phosphinous acid ligands as catalysts for nitrile hydration reactions.","Dalton transactions (Cambridge, England : 2003)","2016","45","34","13590","13603","10.1039/c6dt02375d","","","1.54184","CuKα","","0.0418","0.0341","","","0.094","0.1004","","","","","","1.088","","","","has coordinates,has disorder","186405","2020-10-21","18:00:00",""
"7040098","11.1019","0.0001","19.5638","0.0002","11.8945","0.0001","90","","100.485","0.001","90","","2540.29","0.04","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C24 H24 Cl3 F6 P Ru -","- C24 H24 Cl3 F6 P Ru -","- C96 H96 Cl12 F24 P4 Ru4 -","4","1","","Tomás-Mendivil, Eder; Francos, Javier; González-Fernández, Rebeca; González-Liste, Pedro J; Borge, Javier; Cadierno, Victorio","Bis(allyl)-ruthenium(iv) complexes with phosphinous acid ligands as catalysts for nitrile hydration reactions.","Dalton transactions (Cambridge, England : 2003)","2016","45","34","13590","13603","10.1039/c6dt02375d","","","1.54184","CuKα","","0.0437","0.0396","","","0.1037","0.1084","","","","","","1.028","","","","has coordinates","186405","2020-10-21","18:00:00",""
"7040099","8.4372","0.0005","10.1173","0.0006","12.3447","0.0006","96.948","0.005","105.301","0.005","100.354","0.005","983.99","0.1","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C18 H22 Cl3 O2 P Ru -","- C18 H22 Cl3 O2 P Ru -","- C36 H44 Cl6 O4 P2 Ru2 -","2","1","","Tomás-Mendivil, Eder; Francos, Javier; González-Fernández, Rebeca; González-Liste, Pedro J; Borge, Javier; Cadierno, Victorio","Bis(allyl)-ruthenium(iv) complexes with phosphinous acid ligands as catalysts for nitrile hydration reactions.","Dalton transactions (Cambridge, England : 2003)","2016","45","34","13590","13603","10.1039/c6dt02375d","","","1.54184","CuKα","","0.0678","0.0624","","","0.1808","0.1906","","","","","","1.076","","","","has coordinates","186405","2020-10-21","18:00:00",""
"7040100","11.5165","0.0003","10.9267","0.0002","6.2156","0.0001","90","","90","","90","","782.15","0.03","100","2","100","2","","","","","","","","3","P n m a","-P 2ac 2n","62","Cr(CO)6_110degree","","","- C6 Cr O6 -","- C6 Cr O6 -","- C24 Cr4 O24 -","4","0.5","","Deringer, Volker L.; Wang, Ai; George, Janine; Dronskowski, Richard; Englert, Ulli","Anisotropic thermal motion in transition-metal carbonyls from experiments and ab initio theory.","Dalton transactions (Cambridge, England : 2003)","2016","45","35","13680","13685","10.1039/c6dt02487d","","","0.71073","MoKα","","0.0448","0.036","","","0.0987","0.1054","","","","","","1.055","","","","has coordinates","186378","2020-10-21","18:00:00",""
"7040101","11.5165","0.0003","10.9267","0.0002","6.2156","0.0001","90","","90","","90","","782.15","0.03","100","2","100","2","","","","","","","","3","P n m a","-P 2ac 2n","62","Cr(CO)6_90degree","","","- C6 Cr O6 -","- C6 Cr O6 -","- C24 Cr4 O24 -","4","0.5","","Deringer, Volker L.; Wang, Ai; George, Janine; Dronskowski, Richard; Englert, Ulli","Anisotropic thermal motion in transition-metal carbonyls from experiments and ab initio theory.","Dalton transactions (Cambridge, England : 2003)","2016","45","35","13680","13685","10.1039/c6dt02487d","","","0.71073","MoKα","","0.0325","0.0283","","","0.0758","0.0788","","","","","","1.068","","","","has coordinates","186378","2020-10-21","18:00:00",""
"7040102","10.2924","0.0007","16.6964","0.001","12.2534","0.0007","90","","90.101","0.002","90","","2105.7","0.2","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C22 H21 N2 O2 P W2 -","- C22 H21 N2 O2 P W2 -","- C88 H84 N8 O8 P4 W8 -","4","1","","Alvarez, M. Angeles; García, M Esther; García-Vivó, Daniel; Ruiz, Miguel A.; Toyos, Adrián","The doubly-bonded ditungsten anion [W2Cp2(μ-PPh2)(NO)2](-): an entry to the chemistry of unsaturated nitrosyl complexes.","Dalton transactions (Cambridge, England : 2003)","2016","45","34","13300","13303","10.1039/c6dt02319c","","x-ray","0.71073","MoKα","","0.0895","0.0452","","","0.0964","0.12","","","","","","1.05","","","","has coordinates","186407","2020-10-21","18:00:00",""
"7040103","26.451","0.0017","11.1889","0.0008","33.062","0.002","90","","111.422","0.004","90","","9109","1.1","100","0.1","100","0.1","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C44 H43 Au Cl2 N2 O2 P2 W2 -","- C44 H43 Au Cl2 N2 O2 P2 W2 -","- C352 H344 Au8 Cl16 N16 O16 P16 W16 -","8","1","","Alvarez, M. Angeles; García, M Esther; García-Vivó, Daniel; Ruiz, Miguel A.; Toyos, Adrián","The doubly-bonded ditungsten anion [W2Cp2(μ-PPh2)(NO)2](-): an entry to the chemistry of unsaturated nitrosyl complexes.","Dalton transactions (Cambridge, England : 2003)","2016","45","34","13300","13303","10.1039/c6dt02319c","","x-ray","0.71073","MoKα","","0.1007","0.0565","","","0.119","0.1355","","","","","","1.058","","","","has coordinates,has disorder","186407","2020-10-21","18:00:00",""
"7040104","8.791","0.005","11.992","0.007","17.538","0.009","90","","96.971","0.011","90","","1835.2","1.8","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C14 H32 B14 Cd N4 O26 -","- C14 H32 B14 Cd N4 O26 -","- C28 H64 B28 Cd2 N8 O52 -","2","0.5","","Wei, Qi; Zhang, Ya-Jun; Song, Ying; Yang, Guo-Yu; Zou, Xiaodong","A series of inorganic-organic hybrid cadmium borates with novel Cd-centred [Cd@B14O20(OH)6](2-) clusters.","Dalton transactions (Cambridge, England : 2003)","2016","45","35","13937","13943","10.1039/c6dt02875f","","","0.71073","MoKα","","0.0428","0.0376","","","0.1091","0.1201","","","","","","1.098","","","","has coordinates","186381","2020-10-21","18:00:00",""
"7040105","8.769","0.004","12.024","0.005","17.859","0.007","90","","96.807","0.007","90","","1869.8","1.4","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C16 H36 B14 Cd N4 O26 -","- C16 H36 B14 Cd N4 O26 -","- C32 H72 B28 Cd2 N8 O52 -","2","0.5","","Wei, Qi; Zhang, Ya-Jun; Song, Ying; Yang, Guo-Yu; Zou, Xiaodong","A series of inorganic-organic hybrid cadmium borates with novel Cd-centred [Cd@B14O20(OH)6](2-) clusters.","Dalton transactions (Cambridge, England : 2003)","2016","45","35","13937","13943","10.1039/c6dt02875f","","","0.71073","MoKα","","0.0933","0.0772","","","0.2005","0.2139","","","","","","1.076","","","","has coordinates","186381","2020-10-21","18:00:00",""
"7040106","8.8646","0.0008","17.9069","0.0014","13.6073","0.0014","90","","119.498","0.007","90","","1880","0.3","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C20 H28 B14 Cd N4 O26 -","- C20 H28 B14 Cd N4 O26 -","- C40 H56 B28 Cd2 N8 O52 -","2","0.5","","Wei, Qi; Zhang, Ya-Jun; Song, Ying; Yang, Guo-Yu; Zou, Xiaodong","A series of inorganic-organic hybrid cadmium borates with novel Cd-centred [Cd@B14O20(OH)6](2-) clusters.","Dalton transactions (Cambridge, England : 2003)","2016","45","35","13937","13943","10.1039/c6dt02875f","","","0.71073","MoKα","","0.0466","0.0369","","","0.1058","0.1211","","","","","","1.192","","","","has coordinates","186381","2020-10-21","18:00:00",""
"7040107","8.669","0.003","10.432","0.003","10.894","0.003","64.464","0.009","83.035","0.015","77.581","0.014","867.7","0.5","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C12 H30 B14 Cd N6 O26 -","- C12 H30 B14 Cd N6 O26 -","- C12 H30 B14 Cd N6 O26 -","1","0.5","","Wei, Qi; Zhang, Ya-Jun; Song, Ying; Yang, Guo-Yu; Zou, Xiaodong","A series of inorganic-organic hybrid cadmium borates with novel Cd-centred [Cd@B14O20(OH)6](2-) clusters.","Dalton transactions (Cambridge, England : 2003)","2016","45","35","13937","13943","10.1039/c6dt02875f","","","0.71073","MoKα","","0.0284","0.0263","","","0.0625","0.0636","","","","","","1.085","","","","has coordinates","186381","2020-10-21","18:00:00",""
"7040108","15.286","0.002","8.7381","0.0012","14.808","0.002","90","","101.786","0.004","90","","1936.2","0.5","100","2","100.03","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C20.88 H21.64 Cl1.12 Fe N3 Pd -","- C20.879 H21.637 Cl1.121 Fe N3 Pd -","- C83.516 H86.548 Cl4.484 Fe4 N12 Pd4 -","4","1","","Amenuvor, Gershon; Obuah, Collins; Nordlander, Ebbe; Darkwa, James","Novel pyrazolylphosphite- and pyrazolylphosphinite-ruthenium(ii) complexes as catalysts for hydrogenation of acetophenone.","Dalton transactions (Cambridge, England : 2003)","2016","45","34","13514","13524","10.1039/c6dt02164f","","","0.71073","MoKα","","0.1055","0.0495","","","0.0816","0.0953","","","","","","0.961","","","","has coordinates,has disorder","186409","2020-10-21","18:00:00",""
"7040109","13.353","0.0011","13.7363","0.0012","14.4942","0.0012","86.401","0.004","83.876","0.005","70.096","0.004","2484.5","0.4","100","2","99.99","","","","","","","","","7","P -1","-P 1","2","","","","- C51 H29 B F24 Fe N3 Pd0.5 -","- C51 H29 B F25.438 Fe N3 Pd0.5 -","- C102 H58 B2 F50.876 Fe2 N6 Pd -","2","1","","Amenuvor, Gershon; Obuah, Collins; Nordlander, Ebbe; Darkwa, James","Novel pyrazolylphosphite- and pyrazolylphosphinite-ruthenium(ii) complexes as catalysts for hydrogenation of acetophenone.","Dalton transactions (Cambridge, England : 2003)","2016","45","34","13514","13524","10.1039/c6dt02164f","","","1.54178","CuKα","","0.0633","0.0556","","","0.162","0.1688","","","","","","1.112","","","","has coordinates,has disorder","186409","2020-10-21","18:00:00",""
"7040110","13.0582","0.0016","14.0879","0.0017","15.0938","0.0019","68.205","0.004","82.925","0.004","74.29","0.004","2481.1","0.5","100","2","99.99","","","","","","","","","7","P -1","-P 1","2","","","","- C53 B0.5 Cl2 F0.5 Fe0.5 N14 Pd2.5 -","- C56 B F21 Fe N3 Pd0.5 -","- C112 B2 F42 Fe2 N6 Pd -","2","1","","Amenuvor, Gershon; Obuah, Collins; Nordlander, Ebbe; Darkwa, James","Novel pyrazolylphosphite- and pyrazolylphosphinite-ruthenium(ii) complexes as catalysts for hydrogenation of acetophenone.","Dalton transactions (Cambridge, England : 2003)","2016","45","34","13514","13524","10.1039/c6dt02164f","","","0.71073","MoKα","","0.2521","0.1111","","","0.2776","0.3722","","","","","","0.946","","","","has coordinates","186409","2020-10-21","18:00:00",""
"7040111","7.5563","0.0002","12.4423","0.0003","37.8037","0.0007","90","","90","","90","","3554.22","0.14","296","2","296","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","attenuatumione D","","- C39 H56 O7 -","- C39 H54 O7 -","- C156 H216 O28 -","4","1","","Amenuvor, Gershon; Obuah, Collins; Nordlander, Ebbe; Darkwa, James","Novel pyrazolylphosphite- and pyrazolylphosphinite-ruthenium(ii) complexes as catalysts for hydrogenation of acetophenone.","Dalton transactions (Cambridge, England : 2003)","2016","45","34","13514","13524","10.1039/c6dt02164f","","","1.54178","CuKα","","0.0816","0.0798","","","0.2163","0.2192","","","","","","1.044","","","","has coordinates","186409","2020-10-21","18:00:00",""
"7040112","15.398","0.008","15.398","0.008","25.456","0.014","90","","90","","120","","5227","5","293","2","293","2","","","","","","","","5","P 32 2 1","P 32 2""","154","","","","- C66 H60 Cd3 N4 O23 -","- C66 H58 Cd3 N4 O23 -","- C198 H174 Cd9 N12 O69 -","3","0.5","","Huang, Wen-Huan; Li, Jia-Zhi; Gao, Lu-Sha; Wang, Yan-Xin; Liu, Shu-Ya; Jiang, Min; Liu, Tong; Wang, Yao-Yu","The influence of structural isomerism on fluorescence and organic dye selective adsorption in two complexes based on flexible ligands.","Dalton transactions (Cambridge, England : 2003)","2016","45","38","15060","15066","10.1039/c6dt02090a","","","0.71073","MoKα","","0.1043","0.0703","","","0.178","0.2044","","","","","","1.027","","","","has coordinates,has disorder","188119","2020-10-21","18:00:00",""
"7040113","10.0495","0.0013","11.2187","0.0014","19.95","0.002","79.844","0.002","82.668","0.002","71.385","0.002","2092","0.4","296","2","296.15","","","","","","","","","5","P -1","-P 1","2","","","","- C48 H34 Cd N O17 -","- C48 H34 Cd N O17 -","- C96 H68 Cd2 N2 O34 -","2","1","","Huang, Wen-Huan; Li, Jia-Zhi; Gao, Lu-Sha; Wang, Yan-Xin; Liu, Shu-Ya; Jiang, Min; Liu, Tong; Wang, Yao-Yu","The influence of structural isomerism on fluorescence and organic dye selective adsorption in two complexes based on flexible ligands.","Dalton transactions (Cambridge, England : 2003)","2016","45","38","15060","15066","10.1039/c6dt02090a","","","0.71073","MoKα","","0.05","0.0415","","","0.1176","0.1347","","","","","","1.068","","","","has coordinates","188119","2020-10-21","18:00:00",""
"7040114","27.4916","0.0012","23.6639","0.0011","11.0002","0.0005","90","","93.75","0.0014","90","","7141","0.6","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C61 H70.25 Cu4 N24.25 O4.25 -","- C44 H32 Cu4 N20 -","- C176 H128 Cu16 N80 -","4","0.5","","Schmieder, P.; Denysenko, D.; Grzywa, M.; Magdysyuk, O.; Volkmer, D.","A structurally flexible triazolate-based metal-organic framework featuring coordinatively unsaturated copper(i) sites.","Dalton transactions (Cambridge, England : 2003)","2016","45","35","13853","13862","10.1039/c6dt02672a","","","0.71073","MoKα","","0.0776","0.046","","","0.1093","0.1171","","","","","","1.047","","","","has coordinates","278046","2022-09-21","15:45:41",""
"7040115","30.8557","0.0059","18.8799","0.0019","10.8522","0.0024","90","","93.251","0.02","90","","6312","2","","","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","CFA-8 * 5 CO","- C26.96 H16 Cu2 N10 O4.96 -","- C22 H16 Cu2 N19.964 -","- C176 H128 Cu16 N159.712 -","8","1","","Schmieder, P.; Denysenko, D.; Grzywa, M.; Magdysyuk, O.; Volkmer, D.","A structurally flexible triazolate-based metal-organic framework featuring coordinatively unsaturated copper(i) sites.","Dalton transactions (Cambridge, England : 2003)","2016","45","35","13853","13862","10.1039/c6dt02672a","","","0.207","","","","","","","","","","","","","","","","","","has coordinates","278046","2022-09-21","15:45:41",""
"7040116","32.04","0.06","16.79","0.04","10.77","0.02","90","","92.36","0.04","90","","5789","2","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C24.8 H24.5 Cu2 N10 O2.8 P0.94 -","- C22 H16 Cu2 N10 -","- C176 H128 Cu16 N80 -","8","1","","Schmieder, P.; Denysenko, D.; Grzywa, M.; Magdysyuk, O.; Volkmer, D.","A structurally flexible triazolate-based metal-organic framework featuring coordinatively unsaturated copper(i) sites.","Dalton transactions (Cambridge, England : 2003)","2016","45","35","13853","13862","10.1039/c6dt02672a","","","0.71073","MoKα","","0.1876","0.0938","","","0.2007","0.2317","","","","","","1.017","","","","has coordinates","278046","2022-09-21","15:45:41",""
"7040117","7.637","0.001","17.001","0.001","11.812","0.001","90","","98.518","0.001","90","","1516.7","0.3","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C22 H36 Cl2 N6 O10 Zn2 -","- C22 H36 Cl2 N6 O10 Zn2 -","- C44 H72 Cl4 N12 O20 Zn4 -","2","0.5","","Zhao, Dan; Liu, Xiao-Hui; Shi, Zhuang-Zhi; Zhu, Chen-Dan; Zhao, Yue; Wang, Peng; Sun, Wei-Yin","Three powerful dinuclear metal-organic catalysts for converting CO2 into organic carbonates.","Dalton transactions (Cambridge, England : 2003)","2016","45","36","14184","14190","10.1039/c6dt02755e","","","0.71073","MoKα","","0.0809","0.072","","","0.2248","0.2444","","","","","","1.089","","","","has coordinates,has disorder","187112","2020-10-21","18:00:00",""
"7040118","16.857","0.002","10.426","0.001","17.971","0.002","90","","95.16","0.002","90","","3145.6","0.6","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C22 H40 Cl2 Cu2 N6 O12 -","- C22 H40 Cl2 Cu2 N6 O12 -","- C88 H160 Cl8 Cu8 N24 O48 -","4","1","","Zhao, Dan; Liu, Xiao-Hui; Shi, Zhuang-Zhi; Zhu, Chen-Dan; Zhao, Yue; Wang, Peng; Sun, Wei-Yin","Three powerful dinuclear metal-organic catalysts for converting CO2 into organic carbonates.","Dalton transactions (Cambridge, England : 2003)","2016","45","36","14184","14190","10.1039/c6dt02755e","","","0.71073","MoKα","","0.0708","0.0517","","","0.1435","0.1582","","","","","","1.046","","","","has coordinates","187112","2020-10-21","18:00:00",""
"7040119","11.657","0.001","16.049","0.001","17.402","0.001","90","","90","","90","","3255.6","0.4","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C24 H39 Cd2 Cl2 N7 O10 -","- C24 H39 Cd2 Cl2 N7 O10 -","- C96 H156 Cd8 Cl8 N28 O40 -","4","1","","Zhao, Dan; Liu, Xiao-Hui; Shi, Zhuang-Zhi; Zhu, Chen-Dan; Zhao, Yue; Wang, Peng; Sun, Wei-Yin","Three powerful dinuclear metal-organic catalysts for converting CO2 into organic carbonates.","Dalton transactions (Cambridge, England : 2003)","2016","45","36","14184","14190","10.1039/c6dt02755e","","","0.71073","MoKα","","0.0736","0.0666","","","0.1795","0.1883","","","","","","1.076","","","","has coordinates,has disorder","187112","2020-10-21","18:00:00",""
"7040120","9.7985","0.0008","13.1054","0.0009","9.8329","0.0008","90","","97.233","0.003","90","","1252.63","0.17","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C19 H38 Cl N3 O7 Zn -","- C19 H38 Cl N3 O7 Zn -","- C38 H76 Cl2 N6 O14 Zn2 -","2","1","","Zhao, Dan; Liu, Xiao-Hui; Shi, Zhuang-Zhi; Zhu, Chen-Dan; Zhao, Yue; Wang, Peng; Sun, Wei-Yin","Three powerful dinuclear metal-organic catalysts for converting CO2 into organic carbonates.","Dalton transactions (Cambridge, England : 2003)","2016","45","36","14184","14190","10.1039/c6dt02755e","","","0.71073","MoKα","","0.0771","0.0677","","","0.1872","0.195","","","","","","1.077","","","","has coordinates","187112","2020-10-21","18:00:00",""
"7040121","6.1207","0.0005","7.585","0.0006","16.9844","0.0014","90","","90","","90","","788.51","0.11","173","2","173","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C9 H8 O3 -","- C9 H8 O3 -","- C36 H32 O12 -","4","1","","Zhao, Dan; Liu, Xiao-Hui; Shi, Zhuang-Zhi; Zhu, Chen-Dan; Zhao, Yue; Wang, Peng; Sun, Wei-Yin","Three powerful dinuclear metal-organic catalysts for converting CO2 into organic carbonates.","Dalton transactions (Cambridge, England : 2003)","2016","45","36","14184","14190","10.1039/c6dt02755e","","","1.54178","CuKα","","0.0258","0.0255","","","0.0676","0.068","","","","","","1.079","","","","has coordinates","187112","2020-10-21","18:00:00",""
"7040122","6.1196","0.0004","7.5799","0.0005","16.9823","0.0012","90","","90","","90","","787.74","0.09","173","2","173","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C9 H8 O3 -","- C9 H8 O3 -","- C36 H32 O12 -","4","1","","Zhao, Dan; Liu, Xiao-Hui; Shi, Zhuang-Zhi; Zhu, Chen-Dan; Zhao, Yue; Wang, Peng; Sun, Wei-Yin","Three powerful dinuclear metal-organic catalysts for converting CO2 into organic carbonates.","Dalton transactions (Cambridge, England : 2003)","2016","45","36","14184","14190","10.1039/c6dt02755e","","","1.54178","CuKα","","0.0263","0.0262","","","0.0667","0.0669","","","","","","1.065","","","","has coordinates","187112","2020-10-21","18:00:00",""
"7040123","6.9628","0.0005","18.5602","0.0013","17.4498","0.0012","90","","101.011","0.002","90","","2213.5","0.3","100","2","100","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C19 H26 Cl2 N4 O3 Pd S -","- C19 H26 Cl2 N4 O3 Pd S -","- C76 H104 Cl8 N16 O12 Pd4 S4 -","4","2","","Dobrova, Aliona; Platzer, Sonja; Bacher, Felix; Milunovic, Miljan N. M.; Dobrov, Anatolie; Spengler, Gabriella; Enyedy, Éva A; Novitchi, Ghenadie; Arion, Vladimir B.","Structure-antiproliferative activity studies on l-proline- and homoproline-4-N-pyrrolidine-3-thiosemicarbazone hybrids and their nickel(ii), palladium(ii) and copper(ii) complexes.","Dalton transactions (Cambridge, England : 2003)","2016","45","34","13427","13439","10.1039/c6dt02784a","","","0.71073","MoKα","","0.0558","0.0418","","","0.0829","0.0899","","","","","","1.023","","","","has coordinates","186406","2020-10-21","18:00:00",""
"7040124","6.9292","0.0002","18.4742","0.0008","17.4103","0.0007","90","","101.171","0.002","90","","2186.49","0.14","130","2","130","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C19 H26 Cl2 N4 Ni O3 S -","- C19 H26 Cl2 N4 Ni O3 S -","- C76 H104 Cl8 N16 Ni4 O12 S4 -","4","2","","Dobrova, Aliona; Platzer, Sonja; Bacher, Felix; Milunovic, Miljan N. M.; Dobrov, Anatolie; Spengler, Gabriella; Enyedy, Éva A; Novitchi, Ghenadie; Arion, Vladimir B.","Structure-antiproliferative activity studies on l-proline- and homoproline-4-N-pyrrolidine-3-thiosemicarbazone hybrids and their nickel(ii), palladium(ii) and copper(ii) complexes.","Dalton transactions (Cambridge, England : 2003)","2016","45","34","13427","13439","10.1039/c6dt02784a","","","0.71073","MoKα","","0.04","0.0342","","","0.0789","0.0827","","","","","","1.024","","","","has coordinates,has disorder","186406","2020-10-21","18:00:00",""
"7040125","10.5018","0.0004","24.7063","0.0009","16.9193","0.0007","90","","90.967","0.002","90","","4389.3","0.3","100","2","100","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C81 H124 N16 O17 S4 -","- C81 H124 N16 O17 S4 -","- C162 H248 N32 O34 S8 -","2","0.5","","Dobrova, Aliona; Platzer, Sonja; Bacher, Felix; Milunovic, Miljan N. M.; Dobrov, Anatolie; Spengler, Gabriella; Enyedy, Éva A; Novitchi, Ghenadie; Arion, Vladimir B.","Structure-antiproliferative activity studies on l-proline- and homoproline-4-N-pyrrolidine-3-thiosemicarbazone hybrids and their nickel(ii), palladium(ii) and copper(ii) complexes.","Dalton transactions (Cambridge, England : 2003)","2016","45","34","13427","13439","10.1039/c6dt02784a","","","0.71073","MoKα","","0.0579","0.0543","","","0.1451","0.1492","","","","","","1.029","","","","has coordinates,has disorder","186406","2020-10-21","18:00:00",""
"7040126","20.388","0.0016","14.1122","0.0007","15.9901","0.0012","90","","100.503","0.006","90","","4523.6","0.5","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C20 H28 Cl2 Cu N4 O3 S -","- C20 H28 Cl2 Cu N4 O3 S -","- C160 H224 Cl16 Cu8 N32 O24 S8 -","8","1","","Dobrova, Aliona; Platzer, Sonja; Bacher, Felix; Milunovic, Miljan N. M.; Dobrov, Anatolie; Spengler, Gabriella; Enyedy, Éva A; Novitchi, Ghenadie; Arion, Vladimir B.","Structure-antiproliferative activity studies on l-proline- and homoproline-4-N-pyrrolidine-3-thiosemicarbazone hybrids and their nickel(ii), palladium(ii) and copper(ii) complexes.","Dalton transactions (Cambridge, England : 2003)","2016","45","34","13427","13439","10.1039/c6dt02784a","","","1.54186","CuKα","","0.0975","0.0555","","","0.1201","0.1307","","","","","","0.942","","","","has coordinates","186406","2020-10-21","18:00:00",""
"7040127","10.156","0.016","40.86","0.07","12.657","0.019","90","","90.276","0.017","90","","5252","15","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C31 H28 Cl Fe N3 O -","- C31 H24.5 Cl Fe N3 O -","- C248 H196 Cl8 Fe8 N24 O8 -","8","2","","Stringer, Tameryn; De Kock, Carmen; Guzgay, Hajira; Okombo, John; Liu, Jenny; Kanetake, Sierra; Kim, Jihwan; Tam, Christina; Cheng, Luisa W.; Smith, Peter J.; Hendricks, Denver T.; Land, Kirkwood M.; Egan, Timothy J.; Smith, Gregory S.","Mono- and multimeric ferrocene congeners of quinoline-based polyamines as potential antiparasitics.","Dalton transactions (Cambridge, England : 2003)","2016","45","34","13415","13426","10.1039/c6dt02685k","","","0.71073","MoKα","","0.1082","0.0565","","","0.1299","0.1529","","","","","","1.009","","","","has coordinates,has disorder","186413","2020-10-21","18:00:00",""
"7040128","10.0003","0.0006","11.7787","0.0007","12.3391","0.0007","90","","90","","90","","1453.43","0.15","150","2","150","2","","","","","","","","5","P n n 2","P 2 -2n","34","","","","- C33 H31 Al Cl2 N2 -","- C33 H31 Al Cl2 N2 -","- C66 H62 Al2 Cl4 N4 -","2","0.5","","Gianopoulos, Christopher G.; Kumar, Nishant; Zhao, Yihong; Jia, Li; Kirschbaum, Kristin; Mason, Mark R.","Aluminum alkoxide, amide and halide complexes supported by a bulky dipyrromethene ligand: synthesis, characterization, and preliminary ε-caprolactone polymerization activity.","Dalton transactions (Cambridge, England : 2003)","2016","45","35","13787","13797","10.1039/c6dt02449a","","","0.71073","MoKα","","0.0414","0.0373","","","0.0877","0.089","","","","","","1.015","","","","has coordinates","186386","2020-10-21","18:00:00",""
"7040129","21.089","0.004","13.041","0.003","23.489","0.005","90","","104.897","0.003","90","","6243","2","140","2","140","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C33 H31 Al I2 N2 -","- C33 H31 Al I2 N2 -","- C264 H248 Al8 I16 N16 -","8","1","","Gianopoulos, Christopher G.; Kumar, Nishant; Zhao, Yihong; Jia, Li; Kirschbaum, Kristin; Mason, Mark R.","Aluminum alkoxide, amide and halide complexes supported by a bulky dipyrromethene ligand: synthesis, characterization, and preliminary ε-caprolactone polymerization activity.","Dalton transactions (Cambridge, England : 2003)","2016","45","35","13787","13797","10.1039/c6dt02449a","","","0.71073","MoKα","","0.0472","0.0354","","","0.0869","0.0912","","","","","","1.074","","","","has coordinates","186386","2020-10-21","18:00:00",""
"7040130","15.4551","0.0003","14.5277","0.0003","15.9943","0.0003","90","","113.696","0.001","90","","3288.39","0.11","120","2","120","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C37 H40 Al Cl N2 O -","- C37 H40 Al Cl N2 O -","- C148 H160 Al4 Cl4 N8 O4 -","4","1","","Gianopoulos, Christopher G.; Kumar, Nishant; Zhao, Yihong; Jia, Li; Kirschbaum, Kristin; Mason, Mark R.","Aluminum alkoxide, amide and halide complexes supported by a bulky dipyrromethene ligand: synthesis, characterization, and preliminary ε-caprolactone polymerization activity.","Dalton transactions (Cambridge, England : 2003)","2016","45","35","13787","13797","10.1039/c6dt02449a","","","1.54178","CuKα","","0.0522","0.0427","","","0.1112","0.1178","","","","","","1.038","","","","has coordinates,has disorder","186386","2020-10-21","18:00:00",""
"7040131","13.9055","0.0003","15.3152","0.0003","17.314","0.0004","90","","90","","90","","3687.28","0.14","120","2","120","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C41 H49 Al N2 O2 -","- C41 H49 Al N2 O2 -","- C164 H196 Al4 N8 O8 -","4","1","","Gianopoulos, Christopher G.; Kumar, Nishant; Zhao, Yihong; Jia, Li; Kirschbaum, Kristin; Mason, Mark R.","Aluminum alkoxide, amide and halide complexes supported by a bulky dipyrromethene ligand: synthesis, characterization, and preliminary ε-caprolactone polymerization activity.","Dalton transactions (Cambridge, England : 2003)","2016","45","35","13787","13797","10.1039/c6dt02449a","","","1.54178","CuKα","","0.0365","0.0331","","","0.0855","0.0879","","","","","","1.036","","","","has coordinates","186386","2020-10-21","18:00:00",""
"7040132","10.1588","0.0017","16.568","0.003","19.274","0.003","90","","93.011","0.003","90","","3239.5","0.9","120","2","120","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C37 H43 Al N4 -","- C37 H43 Al N4 -","- C148 H172 Al4 N16 -","4","1","","Gianopoulos, Christopher G.; Kumar, Nishant; Zhao, Yihong; Jia, Li; Kirschbaum, Kristin; Mason, Mark R.","Aluminum alkoxide, amide and halide complexes supported by a bulky dipyrromethene ligand: synthesis, characterization, and preliminary ε-caprolactone polymerization activity.","Dalton transactions (Cambridge, England : 2003)","2016","45","35","13787","13797","10.1039/c6dt02449a","","","0.71073","MoKα","","0.0627","0.0426","","","0.1084","0.1161","","","","","","1.06","","","","has coordinates,has disorder","186386","2020-10-21","18:00:00",""
"7040133","14.4443","0.0006","18.4741","0.0007","9.5304","0.0003","90","","90","","90","","2543.14","0.16","140","2","140","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C33 H33 Cl N2 -","- C33 H33 Cl N2 -","- C132 H132 Cl4 N8 -","4","0.5","","Gianopoulos, Christopher G.; Kumar, Nishant; Zhao, Yihong; Jia, Li; Kirschbaum, Kristin; Mason, Mark R.","Aluminum alkoxide, amide and halide complexes supported by a bulky dipyrromethene ligand: synthesis, characterization, and preliminary ε-caprolactone polymerization activity.","Dalton transactions (Cambridge, England : 2003)","2016","45","35","13787","13797","10.1039/c6dt02449a","","","1.54178","CuKα","","0.0299","0.0298","","","0.0768","0.0769","","","","","","1.047","","","","has coordinates","186386","2020-10-21","18:00:00",""
"7040134","14.46","0.0019","18.427","0.002","10.2026","0.0013","90","","90","","90","","2718.5","0.6","140","2","140","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C33 H33 I N2 -","- C33 H33 I N2 -","- C132 H132 I4 N8 -","4","0.5","","Gianopoulos, Christopher G.; Kumar, Nishant; Zhao, Yihong; Jia, Li; Kirschbaum, Kristin; Mason, Mark R.","Aluminum alkoxide, amide and halide complexes supported by a bulky dipyrromethene ligand: synthesis, characterization, and preliminary ε-caprolactone polymerization activity.","Dalton transactions (Cambridge, England : 2003)","2016","45","35","13787","13797","10.1039/c6dt02449a","","","0.71073","MoKα","","0.0444","0.032","","","0.0807","0.0866","","","","","","1.035","","","","has coordinates","186386","2020-10-21","18:00:00",""
"7040135","14.8737","0.0005","8.9886","0.0003","15.5407","0.0005","90","","98.379","0.001","90","","2055.52","0.12","303","2","303","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C21 H14 Cu N2 O9 S -","- C21 H14 Cu N2 O9 S -","- C84 H56 Cu4 N8 O36 S4 -","4","1","","Hazra, Susanta; Ribeiro, Ana P. C.; Guedes da Silva, M Fátima C; Nieto de Castro, Carlos A.; Pombeiro, Armando J. L.","Syntheses and crystal structures of benzene-sulfonate and -carboxylate copper polymers and their application in the oxidation of cyclohexane in ionic liquid under mild conditions.","Dalton transactions (Cambridge, England : 2003)","2016","45","35","13957","13968","10.1039/c6dt02271e","","","0.71073","MoKα","","0.0409","0.0337","","","0.0838","0.0884","","","","","","1.094","","","","has coordinates","186390","2020-10-21","18:00:00",""
"7040136","9.4867","0.0003","10.629","0.0004","11.8068","0.0005","98.625","0.002","92.974","0.002","116.142","0.001","1047.28","0.07","303","2","303","2","","","","","","","","6","P -1","-P 1","2","","","","- C17 H19 Cu N2 O11 S -","- C17 H19 Cu N2 O11 S -","- C34 H38 Cu2 N4 O22 S2 -","2","1","","Hazra, Susanta; Ribeiro, Ana P. C.; Guedes da Silva, M Fátima C; Nieto de Castro, Carlos A.; Pombeiro, Armando J. L.","Syntheses and crystal structures of benzene-sulfonate and -carboxylate copper polymers and their application in the oxidation of cyclohexane in ionic liquid under mild conditions.","Dalton transactions (Cambridge, England : 2003)","2016","45","35","13957","13968","10.1039/c6dt02271e","","","0.71073","MoKα","","0.0469","0.0361","","","0.0874","0.0929","","","","","","1.094","","","","has coordinates","186390","2020-10-21","18:00:00",""
"7040137","10.7729","0.0003","15.6899","0.0004","16.0285","0.0005","90","","105.321","0.003","90","","2612.94","0.13","120","0.1","120","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C27 H43 Al N2 -","- C27 H43 Al N2 -","- C108 H172 Al4 N8 -","4","1","","Urwin, Stephanie J.; Rogers, David M.; Nichol, Gary S.; Cowley, Michael J.","Ligand coordination modulates reductive elimination from aluminium(iii).","Dalton transactions (Cambridge, England : 2003)","2016","45","35","13695","13699","10.1039/c6dt02698b","","x-ray","0.71073","MoKα","","0.0724","0.0514","","","0.1174","0.1278","","","","","","1.043","","","","has coordinates","186372","2020-10-21","18:00:00",""
"7040138","8.8699","0.0007","16.0945","0.0013","20.2907","0.0017","90","","98.473","0.007","90","","2865","0.4","120","","120","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C31 H51 Al N2 -","- C31 H51 Al N2 -","- C124 H204 Al4 N8 -","4","1","","Urwin, Stephanie J.; Rogers, David M.; Nichol, Gary S.; Cowley, Michael J.","Ligand coordination modulates reductive elimination from aluminium(iii).","Dalton transactions (Cambridge, England : 2003)","2016","45","35","13695","13699","10.1039/c6dt02698b","","x-ray","0.71073","MoKα","","0.0846","0.0602","","","0.1167","0.1262","","","","","","1.072","","","","has coordinates","186372","2020-10-21","18:00:00",""
"7040139","15.5778","0.0007","11.6033","0.0004","15.6858","0.0007","90","","116.418","0.005","90","","2539.2","0.2","120","","120","","","","","","","","","4","I 1 a 1","I -2ya","9","","","","- C27 H41 Al N2 -","- C27 H41 Al N2 -","- C108 H164 Al4 N8 -","4","1","","Urwin, Stephanie J.; Rogers, David M.; Nichol, Gary S.; Cowley, Michael J.","Ligand coordination modulates reductive elimination from aluminium(iii).","Dalton transactions (Cambridge, England : 2003)","2016","45","35","13695","13699","10.1039/c6dt02698b","","x-ray","0.71073","MoKα","","0.0495","0.0437","","","0.098","0.101","","","","","","1.084","","","","has coordinates","186372","2020-10-21","18:00:00",""
"7040140","14.207","0.0002","7.016","0.0001","32.848","0.0006","90","","97.565","0.001","90","","3245.67","0.09","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C19 H18 Al N O -","- C19 H18 Al N O -","- C152 H144 Al8 N8 O8 -","8","1","","Kirk, Sarah M.; Quilter, Helena C.; Buchard, Antoine; Thomas, Lynne H.; Kociok-Kohn, Gabriele; Jones, Matthew D.","Monomeric and dimeric Al(iii) complexes for the production of polylactide.","Dalton transactions (Cambridge, England : 2003)","2016","45","35","13846","13852","10.1039/c6dt02861f","","","0.71073","MoKα","","0.0709","0.043","","","0.0969","0.1103","","","","","","1.018","","","","has coordinates","186384","2020-10-21","18:00:00",""
"7040141","7.149","0.0001","22.319","0.0003","22.695","0.0004","90","","97.634","0.001","90","","3589.09","0.09","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C19 H16 Al Cl2 N O -","- C19 H16 Al Cl2 N O -","- C152 H128 Al8 Cl16 N8 O8 -","8","2","","Kirk, Sarah M.; Quilter, Helena C.; Buchard, Antoine; Thomas, Lynne H.; Kociok-Kohn, Gabriele; Jones, Matthew D.","Monomeric and dimeric Al(iii) complexes for the production of polylactide.","Dalton transactions (Cambridge, England : 2003)","2016","45","35","13846","13852","10.1039/c6dt02861f","","","0.71073","MoKα","","0.1613","0.141","","","0.3471","0.3559","","","","","","1.141","","","","has coordinates","186384","2020-10-21","18:00:00",""
"7040142","9.089","0.0003","19.1017","0.0007","9.1614","0.0003","90","","93.941","0.002","90","","1586.8","0.09","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C35 H36 Al2 N2 O2 -","- C35 H36 Al2 N2 O2 -","- C70 H72 Al4 N4 O4 -","2","0.5","","Kirk, Sarah M.; Quilter, Helena C.; Buchard, Antoine; Thomas, Lynne H.; Kociok-Kohn, Gabriele; Jones, Matthew D.","Monomeric and dimeric Al(iii) complexes for the production of polylactide.","Dalton transactions (Cambridge, England : 2003)","2016","45","35","13846","13852","10.1039/c6dt02861f","","","0.71073","MoKα","","0.0969","0.0622","","","0.1401","0.1595","","","","","","1.029","","","","has coordinates,has disorder","186384","2020-10-21","18:00:00",""
"7040143","14.165","0.0003","13.07","0.0003","14.726","0.0004","90","","101.745","0.001","90","","2669.24","0.11","150","2","150","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C58 H76 Al2 N2 O2 -","- C58 H76 Al2 N2 O2 -","- C116 H152 Al4 N4 O4 -","2","0.5","","Kirk, Sarah M.; Quilter, Helena C.; Buchard, Antoine; Thomas, Lynne H.; Kociok-Kohn, Gabriele; Jones, Matthew D.","Monomeric and dimeric Al(iii) complexes for the production of polylactide.","Dalton transactions (Cambridge, England : 2003)","2016","45","35","13846","13852","10.1039/c6dt02861f","","","0.71073","MoKα","","0.0869","0.0562","","","0.134","0.1518","","","","","","1.034","","","","has coordinates","186384","2020-10-21","18:00:00",""
"7040144","12.6028","0.0006","12.7588","0.0006","16.5415","0.0005","109.99","0.004","107.578","0.004","90.572","0.004","2363.7","0.2","150","2","150.01","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C51 H68 Al2 N2 O2 -","- C51 H68 Al2 N2 O2 -","- C102 H136 Al4 N4 O4 -","2","1","","Kirk, Sarah M.; Quilter, Helena C.; Buchard, Antoine; Thomas, Lynne H.; Kociok-Kohn, Gabriele; Jones, Matthew D.","Monomeric and dimeric Al(iii) complexes for the production of polylactide.","Dalton transactions (Cambridge, England : 2003)","2016","45","35","13846","13852","10.1039/c6dt02861f","","x-ray","1.54184","CuKα","","0.0722","0.0542","","","0.1698","0.1885","","","","","","1.038","","","","has coordinates","186384","2020-10-21","18:00:00",""
"7040145","17.7707","0.0011","10.0076","0.0008","25.4393","0.0016","90","","108.204","0.003","90","","4297.7","0.5","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C44 H54 Br2 Fe N6 O2 -","- C44 H54 Br2 Fe N6 O2 -","- C176 H216 Br8 Fe4 N24 O8 -","4","1","","Liang, Qiuming; Janes, Trevor; Gjergji, Xhoana; Song, Datong","Iron complexes of a bidentate picolyl-NHC ligand: synthesis, structure and reactivity.","Dalton transactions (Cambridge, England : 2003)","2016","45","35","13872","13880","10.1039/c6dt02792j","","","0.71073","MoKα","","0.0721","0.0545","","","0.1657","0.1791","","","","","","1.053","","","","has coordinates,has disorder","186385","2020-10-21","18:00:00",""
"7040146","9.9454","0.0009","16.077","0.0011","19.4063","0.0019","65.934","0.004","84.261","0.006","89.17","0.004","2817.8","0.4","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C24 H37 Br Fe N4 Si2 -","- C24 H37 Br Fe N4 Si2 -","- C96 H148 Br4 Fe4 N16 Si8 -","4","2","","Liang, Qiuming; Janes, Trevor; Gjergji, Xhoana; Song, Datong","Iron complexes of a bidentate picolyl-NHC ligand: synthesis, structure and reactivity.","Dalton transactions (Cambridge, England : 2003)","2016","45","35","13872","13880","10.1039/c6dt02792j","","","0.71073","MoKα","","0.1795","0.0855","","","0.2007","0.2367","","","","","","1.098","","","","has coordinates","186385","2020-10-21","18:00:00",""
"7040147","11.9641","0.0007","10.4299","0.0006","16.3971","0.0009","90","","110.354","0.003","90","","1918.35","0.19","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H19 Br2 Fe N3 -","- C18 H19 Br2 Fe N3 -","- C72 H76 Br8 Fe4 N12 -","4","1","","Liang, Qiuming; Janes, Trevor; Gjergji, Xhoana; Song, Datong","Iron complexes of a bidentate picolyl-NHC ligand: synthesis, structure and reactivity.","Dalton transactions (Cambridge, England : 2003)","2016","45","35","13872","13880","10.1039/c6dt02792j","","","0.71073","MoKα","","0.0442","0.0305","","","0.0705","0.076","","","","","","1.02","","","","has coordinates","186385","2020-10-21","18:00:00",""
"7040148","23.229","0.002","9.3929","0.0006","32.344","0.003","90","","108.287","0.006","90","","6700.7","1","150","2","150","2","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","","","- C36 H36 Fe N6 -","- C36 H36 Fe N6 -","- C288 H288 Fe8 N48 -","8","1","","Liang, Qiuming; Janes, Trevor; Gjergji, Xhoana; Song, Datong","Iron complexes of a bidentate picolyl-NHC ligand: synthesis, structure and reactivity.","Dalton transactions (Cambridge, England : 2003)","2016","45","35","13872","13880","10.1039/c6dt02792j","","","0.71073","MoKα","","0.0702","0.049","","","0.1232","0.1329","","","","","","1.069","","","","has coordinates","186385","2020-10-21","18:00:00",""
"7040149","8.0411","0.0016","10.612","0.002","14.202","0.003","103.803","0.007","96.614","0.008","91.387","0.008","1167.4","0.4","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C25 H26 Br Fe N3 -","- C25 H26 Br Fe N3 -","- C50 H52 Br2 Fe2 N6 -","2","1","","Liang, Qiuming; Janes, Trevor; Gjergji, Xhoana; Song, Datong","Iron complexes of a bidentate picolyl-NHC ligand: synthesis, structure and reactivity.","Dalton transactions (Cambridge, England : 2003)","2016","45","35","13872","13880","10.1039/c6dt02792j","","","0.71073","MoKα","","0.1124","0.0495","","","0.1011","0.1193","","","","","","0.986","","","","has coordinates","186385","2020-10-21","18:00:00",""
"7040150","9.2244","0.0009","9.8456","0.001","15.6959","0.0014","94.162","0.004","104.009","0.004","96.291","0.004","1367.5","0.2","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C32 H33 Fe N3 -","- C32 H33 Fe N3 -","- C64 H66 Fe2 N6 -","2","1","","Liang, Qiuming; Janes, Trevor; Gjergji, Xhoana; Song, Datong","Iron complexes of a bidentate picolyl-NHC ligand: synthesis, structure and reactivity.","Dalton transactions (Cambridge, England : 2003)","2016","45","35","13872","13880","10.1039/c6dt02792j","","","0.71073","MoKα","","0.0837","0.0445","","","0.0838","0.0953","","","","","","1.012","","","","has coordinates","186385","2020-10-21","18:00:00",""
"7040151","15.764","0.002","8.8282","0.001","16.118","0.002","90","","118.981","0.006","90","","1962.2","0.4","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C21 H19 Fe N3 O3 -","- C21 H19 Fe N3 O3 -","- C84 H76 Fe4 N12 O12 -","4","1","","Liang, Qiuming; Janes, Trevor; Gjergji, Xhoana; Song, Datong","Iron complexes of a bidentate picolyl-NHC ligand: synthesis, structure and reactivity.","Dalton transactions (Cambridge, England : 2003)","2016","45","35","13872","13880","10.1039/c6dt02792j","","","0.71073","MoKα","","0.0611","0.0378","","","0.0961","0.113","","","","","","1.067","","","","has coordinates","186385","2020-10-21","18:00:00",""
"7040152","12.7951","0.0011","13.232","0.001","12.3477","0.0009","90","","94.594","0.004","90","","2083.8","0.3","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H19 Fe N3 O4 -","- C22 H19 Fe N3 O4 -","- C88 H76 Fe4 N12 O16 -","4","1","","Liang, Qiuming; Janes, Trevor; Gjergji, Xhoana; Song, Datong","Iron complexes of a bidentate picolyl-NHC ligand: synthesis, structure and reactivity.","Dalton transactions (Cambridge, England : 2003)","2016","45","35","13872","13880","10.1039/c6dt02792j","","","0.71073","MoKα","","0.0518","0.0329","","","0.0747","0.0822","","","","","","1.016","","","","has coordinates","186385","2020-10-21","18:00:00",""
"7040153","8.8081","0.0007","16.7037","0.0018","17.849","0.0017","77.721","0.007","86.792","0.006","79.706","0.006","2524.3","0.4","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C45 H39 F12 N8 O3 P3 Ru -","- C45 H39 F12 N8 O3 P3 Ru -","- C90 H78 F24 N16 O6 P6 Ru2 -","2","1","","Ronconi, Federico; Santoni, Marie-Pierre; Nastasi, Francesco; Bruno, Giuseppe; Argazzi, Roberto; Berardi, Serena; Caramori, Stefano; Bignozzi, Carlo A.; Campagna, Sebastiano","Charge injection into nanostructured TiO2 electrodes from the photogenerated reduced form of a new Ru(ii) polypyridine compound: the ""anti-biomimetic"" mechanism at work.","Dalton transactions (Cambridge, England : 2003)","2016","45","36","14109","14123","10.1039/c6dt01970f","","","0.71073","MoKα","","0.2732","0.0968","","","0.2011","0.281","","","","","","0.986","","","","has coordinates","187122","2020-10-21","18:00:00",""
"7040154","23.665","0.002","14.6648","0.0013","18.7222","0.0017","90","","102.917","0.003","90","","6333","1","100","2","100","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C60 H55 B3 Cl4 Co2 F13 N11 O -","- C60 H53 B3 Cl4 Co2 F13 N11 O -","- C240 H212 B12 Cl16 Co8 F52 N44 O4 -","4","0.5","","Cho, Yae In; Ward, Meredith L.; Rose, Michael J.","Substituent effects of N4 Schiff base ligands on the formation of fluoride-bridged dicobalt(ii) complexes via B-F abstraction: structures and magnetism.","Dalton transactions (Cambridge, England : 2003)","2016","45","34","13466","13476","10.1039/c6dt02104b","","","0.71073","MoKα","","0.0521","0.0452","","","0.1089","0.1124","","","","","","1.073","","","","has coordinates,has disorder","186401","2020-10-21","18:00:00",""
"7040155","14.8605","0.0015","21.329","0.002","8.3041","0.001","90","","90","","90","","2632.1","0.5","293","2","293","2","","","","","","","","7","P 21 21 2","P 2 2ab","18","","","","- C27 H22 B Cl2 Co F5 N4 -","- C27 H22 B Cl2 Co F5 N4 -","- C108 H88 B4 Cl8 Co4 F20 N16 -","4","1","","Cho, Yae In; Ward, Meredith L.; Rose, Michael J.","Substituent effects of N4 Schiff base ligands on the formation of fluoride-bridged dicobalt(ii) complexes via B-F abstraction: structures and magnetism.","Dalton transactions (Cambridge, England : 2003)","2016","45","34","13466","13476","10.1039/c6dt02104b","","","0.71073","MoKα","","0.0779","0.0643","","","0.1162","0.1212","","","","","","1.098","","","","has coordinates","186401","2020-10-21","18:00:00",""
"7040156","10.7","0.002","16.893","0.004","17.361","0.004","90","","98.845","0.006","90","","3100.8","1.2","100","2","100","2","","","","","","","","7","I 1 m 1","I -2y","8","","","","- C51 H59 B4 Co2 F16 N15 O -","- C51 H57 B4 Co2 F16 N15 O -","- C102 H114 B8 Co4 F32 N30 O2 -","2","0.5","","Cho, Yae In; Ward, Meredith L.; Rose, Michael J.","Substituent effects of N4 Schiff base ligands on the formation of fluoride-bridged dicobalt(ii) complexes via B-F abstraction: structures and magnetism.","Dalton transactions (Cambridge, England : 2003)","2016","45","34","13466","13476","10.1039/c6dt02104b","","","0.71073","MoKα","","0.0738","0.055","","","0.1101","0.1203","","","","","","1.046","","","","has coordinates,has disorder","186401","2020-10-21","18:00:00",""
"7040157","16.3992","0.0007","16.3992","0.0007","16.3992","0.0007","90","","90","","90","","4410.3","0.3","293","2","293","2","","","","","","","","6","P n -3 n","-P 4a 2bc 3","222","","","","- C24 H26 B2 Co F8 N6 -","- C24 H26 B2 Co F8 N6 -","- C144 H156 B12 Co6 F48 N36 -","6","","","Cho, Yae In; Ward, Meredith L.; Rose, Michael J.","Substituent effects of N4 Schiff base ligands on the formation of fluoride-bridged dicobalt(ii) complexes via B-F abstraction: structures and magnetism.","Dalton transactions (Cambridge, England : 2003)","2016","45","34","13466","13476","10.1039/c6dt02104b","","","0.71073","MoKα","","0.1356","0.1248","","","0.3887","0.3961","","","","","","1.189","","","","has coordinates,has disorder","186401","2020-10-21","18:00:00",""
"7040158","9.9009","0.0005","17.964","0.0008","15.9921","0.0009","90","","105.467","0.002","90","","2741.3","0.2","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C20 H30 Cl2 Co N6 O10 -","- C20 H30 Cl2 Co N6 O10 -","- C80 H120 Cl8 Co4 N24 O40 -","4","1","","Cho, Yae In; Ward, Meredith L.; Rose, Michael J.","Substituent effects of N4 Schiff base ligands on the formation of fluoride-bridged dicobalt(ii) complexes via B-F abstraction: structures and magnetism.","Dalton transactions (Cambridge, England : 2003)","2016","45","34","13466","13476","10.1039/c6dt02104b","","","0.71073","MoKα","","0.0568","0.0355","","","0.0746","0.0855","","","","","","1.01","","","","has coordinates,has disorder","186401","2020-10-21","18:00:00",""
"7040159","11.4266","0.0003","21.99","0.0007","16.1613","0.0005","90","","96.611","0.003","90","","4033.9","0.2","200","2","200","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","MP873","","- C44 H45 Cl2 Ir N2 -","- C44 H45 Cl2 Ir N2 -","- C176 H180 Cl8 Ir4 N8 -","4","1","","Ibañez, S; Poyatos, M.; Peris, E.","Mono and dimetallic pyrene-imidazolylidene complexes of iridium(iii) for the deuteration of organic substrates and the C-C coupling of alcohols.","Dalton transactions (Cambridge, England : 2003)","2016","45","36","14154","14159","10.1039/c6dt02942f","","x-ray","0.71073","MoKα","","0.0489","0.0397","","","0.1039","0.1082","","","","","","1.218","","","","has coordinates,has disorder","187125","2020-10-21","18:00:00",""
"7040160","13.241","0.0005","21.829","0.0009","13.3907","0.0005","90","","105.986","0.004","90","","3720.7","0.3","200","0.4","200","0.4","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C29 H35 Cl9 Ir N2 O3 -","- C29 H35 Cl9 Ir N2 O3 -","- C116 H140 Cl36 Ir4 N8 O12 -","4","1","","Ibañez, S; Poyatos, M.; Peris, E.","Mono and dimetallic pyrene-imidazolylidene complexes of iridium(iii) for the deuteration of organic substrates and the C-C coupling of alcohols.","Dalton transactions (Cambridge, England : 2003)","2016","45","36","14154","14159","10.1039/c6dt02942f","","x-ray","0.71073","MoKα","","0.0414","0.0352","","","0.0857","0.0899","","","","","","1.043","","","","has coordinates","187125","2020-10-21","18:00:00",""
"7040161","14.3211","0.0006","24.2943","0.0009","12.1511","0.0004","90","","90","","90","","4227.6","0.3","160.3","0.9","160.3","0.9","","","","","","","","6","P n m a","-P 2ac 2n","62","","SI538K3","","- C40 H47 Cl6 Ir N2 O3 -","- C40 H47 Cl6 Ir N2 O3 -","- C160 H188 Cl24 Ir4 N8 O12 -","4","0.5","","Ibañez, S; Poyatos, M.; Peris, E.","Mono and dimetallic pyrene-imidazolylidene complexes of iridium(iii) for the deuteration of organic substrates and the C-C coupling of alcohols.","Dalton transactions (Cambridge, England : 2003)","2016","45","36","14154","14159","10.1039/c6dt02942f","","x-ray","0.71073","MoKα","","0.0351","0.0288","","","0.0767","0.0855","","","","","","0.763","","","","has coordinates,has disorder","187125","2020-10-21","18:00:00",""
"7040162","29.8951","0.0004","87.9118","0.0012","16.0433","0.0002","90","","90","","90","","42163.9","1","293","2","293","2","","","","","","","","6","F d d 2","F 2 -2d","43","","","","- C51 H89 Ge12 N6 Nd9 O70 -","- C51 H57 Ge12 N6 Nd9 O70 -","- C816 H912 Ge192 N96 Nd144 O1120 -","16","1","","Li, Lei-Lei; Pan, Rui; Zhao, Jun-Wei; Yang, Bai-Feng; Yang, Guo-Yu","A series of lanthanide germanate cluster organic frameworks.","Dalton transactions (Cambridge, England : 2003)","2016","45","30","11958","11967","10.1039/c6dt01629d","","","0.71073","MoKα","","0.0505","0.044","","","0.1297","0.1367","","","","","","1.071","","","","has coordinates","185054","2020-10-21","18:00:00",""
"7040163","14.7192","0.0003","16.517","0.0003","21.7274","0.0005","90","","94.451","0.002","90","","5266.37","0.19","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C42 H104 Dy10 Ge12 O83 -","- C42 H54 Dy10 Ge12 O82 -","- C84 H108 Dy20 Ge24 O164 -","2","0.5","","Li, Lei-Lei; Pan, Rui; Zhao, Jun-Wei; Yang, Bai-Feng; Yang, Guo-Yu","A series of lanthanide germanate cluster organic frameworks.","Dalton transactions (Cambridge, England : 2003)","2016","45","30","11958","11967","10.1039/c6dt01629d","","","0.71073","MoKα","","0.0521","0.0421","","","0.0989","0.1024","","","","","","1.045","","","","has coordinates","185054","2020-10-21","18:00:00",""
"7040164","12.8712","0.0002","21.6552","0.0004","23.5052","0.0004","106.275","0.002","101.46","0.002","94.909","0.001","6093.8","0.2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C52 H118 Ge14 N4 O88 Tb10 -","- C52 H66 Ge14 N4 O87 Tb10 -","- C104 H132 Ge28 N8 O174 Tb20 -","2","1","","Li, Lei-Lei; Pan, Rui; Zhao, Jun-Wei; Yang, Bai-Feng; Yang, Guo-Yu","A series of lanthanide germanate cluster organic frameworks.","Dalton transactions (Cambridge, England : 2003)","2016","45","30","11958","11967","10.1039/c6dt01629d","","","0.71073","MoKα","","0.0365","0.026","","","0.059","0.0629","","","","","","1.014","","","","has coordinates,has disorder","185054","2020-10-21","18:00:00",""
"7040165","19.3746","0.0002","21.4307","0.0003","33.711","0.0004","90","","90","","90","","13997.2","0.3","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C77 H103 Dy11 Ge12 N16 O81 -","- C77 H73 Dy11 Ge12 N16 O81 -","- C308 H292 Dy44 Ge48 N64 O324 -","4","1","","Li, Lei-Lei; Pan, Rui; Zhao, Jun-Wei; Yang, Bai-Feng; Yang, Guo-Yu","A series of lanthanide germanate cluster organic frameworks.","Dalton transactions (Cambridge, England : 2003)","2016","45","30","11958","11967","10.1039/c6dt01629d","","","0.71073","MoKα","","0.0407","0.0354","","","0.0931","0.0964","","","","","","1.04","","","","has coordinates","185054","2020-10-21","18:00:00",""
"7040166","31.9966","0.0002","31.9966","0.0002","31.9966","0.0002","90","","90","","90","","32757.6","0.4","293","2","293","2","","","","","","","","6","I -4 3 m","I -4 2 3","217","","","","- C72 H109 Ge12 N6 O80 Tb11 -","- C72 H24 Ge12 N6 O80.015 Tb11 -","- C576 H192 Ge96 N48 O640.12 Tb88 -","8","0.166667","","Li, Lei-Lei; Pan, Rui; Zhao, Jun-Wei; Yang, Bai-Feng; Yang, Guo-Yu","A series of lanthanide germanate cluster organic frameworks.","Dalton transactions (Cambridge, England : 2003)","2016","45","30","11958","11967","10.1039/c6dt01629d","","","0.71073","MoKα","","0.052","0.0444","","","0.1202","0.1268","","","","","","1.048","","","","has coordinates","185054","2020-10-21","18:00:00",""
"7040167","18.8542","0.0005","18.0734","0.0005","19.5409","0.0007","90","","94.771","0.003","90","","6635.7","0.3","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C48 H106 Dy10 Ge14 N2 O80 -","- C48 H70 Dy10 Ge14 N2 O80 -","- C96 H140 Dy20 Ge28 N4 O160 -","2","0.5","","Li, Lei-Lei; Pan, Rui; Zhao, Jun-Wei; Yang, Bai-Feng; Yang, Guo-Yu","A series of lanthanide germanate cluster organic frameworks.","Dalton transactions (Cambridge, England : 2003)","2016","45","30","11958","11967","10.1039/c6dt01629d","","","0.71073","MoKα","","0.1317","0.0812","","","0.2112","0.2763","","","","","","1.056","","","","has coordinates","185054","2020-10-21","18:00:00",""
"7040168","6.7169","0.0013","9.6741","0.0019","12.513","0.003","94.91","0.03","103.38","0.03","94.97","0.03","783.4","0.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C12 H11 Cl3 Co N6 -","- C12 H11 Cl3 Co N6 -","- C24 H22 Cl6 Co2 N12 -","2","1","","Brede, Franziska A.; Mühlbach, Friedrich; Sextl, Gerhard; Müller-Buschbaum, Klaus","Mechanochemical and thermal formation of 1H-benzotriazole coordination polymers and complexes of 3d-transition metals with intriguing dielectric properties.","Dalton transactions (Cambridge, England : 2003)","2016","45","26","10609","10619","10.1039/c6dt01597b","","","0.71073","MoKα","","0.0429","0.0366","","","0.0856","0.0888","","","","","","1.071","","","","has coordinates","185055","2020-10-21","18:00:00",""
"7040169","7.56","0.004","13.9232","0.0009","13.849","0.003","90","","92.069","0.002","90","","1456.8","0.8","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C12 H10 Cl2 Co N6 -","- C12 H10 Cl2 Co N6 -","- C48 H40 Cl8 Co4 N24 -","4","1","","Brede, Franziska A.; Mühlbach, Friedrich; Sextl, Gerhard; Müller-Buschbaum, Klaus","Mechanochemical and thermal formation of 1H-benzotriazole coordination polymers and complexes of 3d-transition metals with intriguing dielectric properties.","Dalton transactions (Cambridge, England : 2003)","2016","45","26","10609","10619","10.1039/c6dt01597b","","","0.71073","MoKα","","0.0458","0.0319","","","0.0682","0.0736","","","","","","1.037","","","","has coordinates","185055","2020-10-21","18:00:00",""
"7040170","16.2192","0.0016","16.2192","0.0016","8.8865","0.0009","90","","90","","90","","2337.7","0.4","100","2","100","2","","","","","","","","5","P 4/n","-P 4a","85","","","","- C48 H40 Cl2 Co N24 -","- C48 H40 Cl2 Co N24 -","- C96 H80 Cl4 Co2 N48 -","2","","","Brede, Franziska A.; Mühlbach, Friedrich; Sextl, Gerhard; Müller-Buschbaum, Klaus","Mechanochemical and thermal formation of 1H-benzotriazole coordination polymers and complexes of 3d-transition metals with intriguing dielectric properties.","Dalton transactions (Cambridge, England : 2003)","2016","45","26","10609","10619","10.1039/c6dt01597b","","","0.71073","MoKα","","0.0366","0.0294","","","0.0745","0.079","","","","","","1.065","","","","has coordinates","185055","2020-10-21","18:00:00",""
"7040171","16.4285","0.001","3.6906","0.0002","23.2854","0.0014","90","","90","","90","","1411.82","0.14","100","2","99.65","","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C12 H10 Cl2 Mn N6 -","- C12 H10 Cl2 Mn N6 -","- C48 H40 Cl8 Mn4 N24 -","4","1","","Brede, Franziska A.; Mühlbach, Friedrich; Sextl, Gerhard; Müller-Buschbaum, Klaus","Mechanochemical and thermal formation of 1H-benzotriazole coordination polymers and complexes of 3d-transition metals with intriguing dielectric properties.","Dalton transactions (Cambridge, England : 2003)","2016","45","26","10609","10619","10.1039/c6dt01597b","","","0.71073","MoKα","","0.0452","0.0345","","","0.0746","0.0789","","","","","","1.069","","","","has coordinates","185055","2020-10-21","18:00:00",""
"7040172","25.984","0.005","3.8567","0.0008","14.587","0.003","90","","119.39","0.03","90","","1273.7","0.6","100","","100","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C12 H11 Cl N6 -","- C12 H11 Cl N6 -","- C48 H44 Cl4 N24 -","4","0.5","","Brede, Franziska A.; Mühlbach, Friedrich; Sextl, Gerhard; Müller-Buschbaum, Klaus","Mechanochemical and thermal formation of 1H-benzotriazole coordination polymers and complexes of 3d-transition metals with intriguing dielectric properties.","Dalton transactions (Cambridge, England : 2003)","2016","45","26","10609","10619","10.1039/c6dt01597b","","","0.71073","MoKα","","0.0407","0.0329","","","0.0775","0.0822","","","","","","1.089","","","","has coordinates","185055","2020-10-21","18:00:00",""
"7040173","7.4412","0.001","38.081","0.005","7.555","0.0009","90","","101.859","0.005","90","","2095.2","0.5","173","","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H15 Cl2 N9 Zn -","- C18 H15 Cl2 N9 Zn -","- C72 H60 Cl8 N36 Zn4 -","4","1","","Brede, Franziska A.; Mühlbach, Friedrich; Sextl, Gerhard; Müller-Buschbaum, Klaus","Mechanochemical and thermal formation of 1H-benzotriazole coordination polymers and complexes of 3d-transition metals with intriguing dielectric properties.","Dalton transactions (Cambridge, England : 2003)","2016","45","26","10609","10619","10.1039/c6dt01597b","","","0.71073","MoKα","","0.1008","0.0484","","","0.0911","0.1171","","","","","","1.014","","","","has coordinates","185055","2020-10-21","18:00:00",""
"7040174","13.59","0.003","21.182","0.005","23.936","0.006","99.875","0.004","106.095","0.002","91.09","0.002","6506","3","293","2","293","2","","","","","","","","9","P -1","-P 1","2","","","","- C72.25 H56.5 Cl0.5 F6 Fe N6 O0.5 P3 Ru -","- C72.25 H55.5 Cl0.5 F6 Fe N6 O0.5 P3 Ru -","- C289 H222 Cl2 F24 Fe4 N24 O2 P12 Ru4 -","4","2","","Wen, Hui-Min; Wang, Jin-Yun; Zhang, Li-Yi; Shi, Lin-Xi; Chen, Zhong-Ning","Syntheses, characterization and electrochemical and spectroscopic properties of ruthenium-iron complexes of 2,3,5,6-tetrakis(2-pyridyl)pyrazine and ferrocene-acetylide ligands.","Dalton transactions (Cambridge, England : 2003)","2016","45","26","10620","10629","10.1039/c6dt01654e","","","0.71073","MoKα","","0.093","0.079","","","0.2047","0.225","","","","","","1.028","","","","has coordinates,has disorder","185056","2020-10-21","18:00:00",""
"7040175","21.566","0.013","21.76","0.013","13.11","0.008","90","","90","","90","","6152","6","296","2","296","2","","","","","","","","4","F d d 2","F 2 -2d","43","","","","- Ba Cd S4 Sn -","- Ba Cd S4 Sn -","- Ba32 Cd32 S128 Sn32 -","32","2","","Zhen, Ni; Wu, Kui; Wang, Ying; Li, Qiang; Gao, Wenhui; Hou, Dianwei; Yang, Zhihua; Jiang, Huaidong; Dong, Yongjun; Pan, Shilie","BaCdSnS4 and Ba3CdSn2S8: syntheses, structures, and non-linear optical and photoluminescence properties.","Dalton transactions (Cambridge, England : 2003)","2016","45","26","10681","10688","10.1039/c6dt01537a","","","0.71073","MoKα","","0.047","0.0276","","","0.0601","0.0646","","","","","","0.916","","","","has coordinates","185057","2020-10-21","18:00:00",""
"7040176","14.679","0.003","14.679","0.003","14.679","0.003","90","","90","","90","","3162.9","1.1","296","2","296","2","","","","","","","","4","I -4 3 d","I -4bd 2c 3","220","","","","- Ba3 Cd S8 Sn2 -","- Ba3 Cd1.005 S8 Sn2 -","- Ba24 Cd8.04 S64 Sn16 -","8","0.166667","","Zhen, Ni; Wu, Kui; Wang, Ying; Li, Qiang; Gao, Wenhui; Hou, Dianwei; Yang, Zhihua; Jiang, Huaidong; Dong, Yongjun; Pan, Shilie","BaCdSnS4 and Ba3CdSn2S8: syntheses, structures, and non-linear optical and photoluminescence properties.","Dalton transactions (Cambridge, England : 2003)","2016","45","26","10681","10688","10.1039/c6dt01537a","","","0.71073","MoKα","","0.0318","0.0263","","","0.0469","0.0487","","","","","","1.042","","","","has coordinates","185057","2020-10-21","18:00:00",""
"7040177","10.723","0.002","12.725","0.003","22.555","0.005","76.391","0.006","79.537","0.006","86.496","0.006","2940.9","1.1","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C32 H32 F N2 O4 P Pd -","- C32 H32 F N2 O4 P Pd -","- C128 H128 F4 N8 O16 P4 Pd4 -","4","2","","Lee, Jhen-Yi; Shen, Jiun-Shian; Tzeng, Ru-Jiun; Lu, I-Chen; Lii, Jenn-Huei; Hu, Ching-Han; Lee, Hon Man","Well-defined palladium(0) complexes bearing N-heterocyclic carbene and phosphine moieties: efficient catalytic applications in the Mizoroki-Heck reaction and direct C-H functionalization.","Dalton transactions (Cambridge, England : 2003)","2016","45","25","10375","10388","10.1039/c6dt01323f","","x-ray","0.71073","MoKα","","0.0992","0.0499","","","0.1004","0.11","","","","","","0.954","","","","has coordinates","185058","2020-10-21","18:00:00",""
"7040178","9.1522","0.0005","25.9604","0.0014","10.9541","0.0006","90","","93.829","0.003","90","","2596.8","0.2","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C29 H27 N2 O4 P Pd -","- C29 H27 N2 O4 P Pd -","- C116 H108 N8 O16 P4 Pd4 -","4","1","","Lee, Jhen-Yi; Shen, Jiun-Shian; Tzeng, Ru-Jiun; Lu, I-Chen; Lii, Jenn-Huei; Hu, Ching-Han; Lee, Hon Man","Well-defined palladium(0) complexes bearing N-heterocyclic carbene and phosphine moieties: efficient catalytic applications in the Mizoroki-Heck reaction and direct C-H functionalization.","Dalton transactions (Cambridge, England : 2003)","2016","45","25","10375","10388","10.1039/c6dt01323f","","x-ray","0.71073","MoKα","","0.0511","0.046","","","0.1019","0.1048","","","","","","1.023","","","","has coordinates","185058","2020-10-21","18:00:00",""
"7040179","10.6104","0.0006","11.6829","0.0006","12.5519","0.0006","95.426","0.003","93.106","0.003","110.644","0.003","1443.09","0.13","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C60 H58 N4 O7 P2 Pd2 -","- C60 H58 N4 O7 P2 Pd2 -","- C60 H58 N4 O7 P2 Pd2 -","1","0.5","","Lee, Jhen-Yi; Shen, Jiun-Shian; Tzeng, Ru-Jiun; Lu, I-Chen; Lii, Jenn-Huei; Hu, Ching-Han; Lee, Hon Man","Well-defined palladium(0) complexes bearing N-heterocyclic carbene and phosphine moieties: efficient catalytic applications in the Mizoroki-Heck reaction and direct C-H functionalization.","Dalton transactions (Cambridge, England : 2003)","2016","45","25","10375","10388","10.1039/c6dt01323f","","x-ray","0.71073","MoKα","","0.1127","0.0871","","","0.2308","0.2466","","","","","","1.112","","","","has coordinates","185058","2020-10-21","18:00:00",""
"7040180","10.8121","0.0003","10.9909","0.0003","12.711","0.0003","84.157","0.002","69.851","0.002","71.348","0.002","1343.53","0.07","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C60 H60 N4 O7 P2 Pd2 -","- C60 H60 N4 O7 P2 Pd2 -","- C60 H60 N4 O7 P2 Pd2 -","1","0.5","","Lee, Jhen-Yi; Shen, Jiun-Shian; Tzeng, Ru-Jiun; Lu, I-Chen; Lii, Jenn-Huei; Hu, Ching-Han; Lee, Hon Man","Well-defined palladium(0) complexes bearing N-heterocyclic carbene and phosphine moieties: efficient catalytic applications in the Mizoroki-Heck reaction and direct C-H functionalization.","Dalton transactions (Cambridge, England : 2003)","2016","45","25","10375","10388","10.1039/c6dt01323f","","x-ray","0.71073","MoKα","","0.0336","0.0255","","","0.0643","0.0669","","","","","","0.693","","","","has coordinates","185058","2020-10-21","18:00:00",""
"7040181","10.4095","0.0018","14.834","0.003","22.083","0.004","87.766","0.012","88.76","0.011","76.094","0.011","3307.2","1.1","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C29 H25 Cl6 N2 O3 P Pd -","- C29 H25 Cl6 N2 O3 P Pd -","- C116 H100 Cl24 N8 O12 P4 Pd4 -","4","2","","Lee, Jhen-Yi; Shen, Jiun-Shian; Tzeng, Ru-Jiun; Lu, I-Chen; Lii, Jenn-Huei; Hu, Ching-Han; Lee, Hon Man","Well-defined palladium(0) complexes bearing N-heterocyclic carbene and phosphine moieties: efficient catalytic applications in the Mizoroki-Heck reaction and direct C-H functionalization.","Dalton transactions (Cambridge, England : 2003)","2016","45","25","10375","10388","10.1039/c6dt01323f","","x-ray","0.71073","MoKα","","0.1716","0.0966","","","0.2361","0.2863","","","","","","1.012","","","","has coordinates","185058","2020-10-21","18:00:00",""
"7040182","9.2416","0.0016","9.8555","0.0018","14.849","0.003","79.479","0.014","82.978","0.013","86.719","0.013","1318.9","0.4","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C27 H35 N2 O3 P Pd -","- C27 H35 N2 O3 P Pd -","- C54 H70 N4 O6 P2 Pd2 -","2","1","","Lee, Jhen-Yi; Shen, Jiun-Shian; Tzeng, Ru-Jiun; Lu, I-Chen; Lii, Jenn-Huei; Hu, Ching-Han; Lee, Hon Man","Well-defined palladium(0) complexes bearing N-heterocyclic carbene and phosphine moieties: efficient catalytic applications in the Mizoroki-Heck reaction and direct C-H functionalization.","Dalton transactions (Cambridge, England : 2003)","2016","45","25","10375","10388","10.1039/c6dt01323f","","","0.71073","MoKα","","0.0982","0.0551","","","0.1374","0.1695","","","","","","0.9","","","","has coordinates","185058","2020-10-21","18:00:00",""
"7040183","14.472","0.002","14.473","0.002","24.048","0.004","101.736","0.008","96.477","0.008","116.529","0.007","4291.5","1.2","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C94 H106 Cl4 N4 Ni5 O22 -","- C81 H74 Cl4 N4 Ni5 O21 -","- C162 H148 Cl8 N8 Ni10 O42 -","2","1","","Perlepe, Panagiota S.; Cunha-Silva, Luís; Bekiari, Vlasoula; Gagnon, Kevin J.; Teat, Simon J.; Escuer, Albert; Stamatatos, Theocharis C.","Structural diversity in Ni(II) cluster chemistry: Ni5, Ni6, and {NiNa2}n complexes bearing the Schiff-base ligand N-naphthalidene-2-amino-5-chlorobenzoic acid.","Dalton transactions (Cambridge, England : 2003)","2016","45","25","10256","10270","10.1039/c6dt01162d","","","0.71073","MoKα","","0.0791","0.0657","","","0.1539","0.1623","","","","","","0.935","","","","has coordinates","185059","2020-10-21","18:00:00",""
"7040184","14.1417","0.001","14.1587","0.001","14.7117","0.0011","92.408","0.002","99.389","0.002","116.998","0.002","2566.8","0.3","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C93 H91 Cl4 N11 Ni5 O21 -","- C93 H91 Cl4 N11 Ni5 O21 -","- C93 H91 Cl4 N11 Ni5 O21 -","1","0.5","","Perlepe, Panagiota S.; Cunha-Silva, Luís; Bekiari, Vlasoula; Gagnon, Kevin J.; Teat, Simon J.; Escuer, Albert; Stamatatos, Theocharis C.","Structural diversity in Ni(II) cluster chemistry: Ni5, Ni6, and {NiNa2}n complexes bearing the Schiff-base ligand N-naphthalidene-2-amino-5-chlorobenzoic acid.","Dalton transactions (Cambridge, England : 2003)","2016","45","25","10256","10270","10.1039/c6dt01162d","","","0.71073","MoKα","","0.1143","0.0974","","","0.2184","0.2268","","","","","","1.17","","","","has coordinates,has disorder","185059","2020-10-21","18:00:00",""
"7040185","17.414","0.004","17.728","0.004","18.04","0.004","69.585","0.009","84.074","0.009","65.021","0.009","4724.8","1.9","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C94 H96 Cl5 N9 Ni5 O21 -","- C89 H69.5 Cl5 N8 Ni5 O19 -","- C178 H139 Cl10 N16 Ni10 O38 -","2","1","","Perlepe, Panagiota S.; Cunha-Silva, Luís; Bekiari, Vlasoula; Gagnon, Kevin J.; Teat, Simon J.; Escuer, Albert; Stamatatos, Theocharis C.","Structural diversity in Ni(II) cluster chemistry: Ni5, Ni6, and {NiNa2}n complexes bearing the Schiff-base ligand N-naphthalidene-2-amino-5-chlorobenzoic acid.","Dalton transactions (Cambridge, England : 2003)","2016","45","25","10256","10270","10.1039/c6dt01162d","","","0.71073","MoKα","","0.048","0.0401","","","0.1134","0.1227","","","","","","0.728","","","","has coordinates,has disorder","185059","2020-10-21","18:00:00",""
"7040186","14.7531","0.0012","18.2554","0.0016","26.332","0.002","90","","99.008","0.004","90","","7004.4","1","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C128 H118 Cl22 N8 Ni6 O24 -","- C126 H114 Cl18 N8 Ni6 O24 -","- C252 H228 Cl36 N16 Ni12 O48 -","2","0.5","","Perlepe, Panagiota S.; Cunha-Silva, Luís; Bekiari, Vlasoula; Gagnon, Kevin J.; Teat, Simon J.; Escuer, Albert; Stamatatos, Theocharis C.","Structural diversity in Ni(II) cluster chemistry: Ni5, Ni6, and {NiNa2}n complexes bearing the Schiff-base ligand N-naphthalidene-2-amino-5-chlorobenzoic acid.","Dalton transactions (Cambridge, England : 2003)","2016","45","25","10256","10270","10.1039/c6dt01162d","","","0.71073","MoKα","","0.1046","0.0986","","","0.2556","0.2603","","","","","","0.916","","","","has coordinates","185059","2020-10-21","18:00:00",""
"7040187","7.5505","0.0016","18.877","0.004","26.086","0.006","79.415","0.011","86.09","0.01","89.411","0.01","3646.3","1.4","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C76 H60 Cl4 N4 Na4 Ni2 O18 -","- C76 H56 Cl4 N4 Na4 Ni2 O18 -","- C152 H112 Cl8 N8 Na8 Ni4 O36 -","2","1","","Perlepe, Panagiota S.; Cunha-Silva, Luís; Bekiari, Vlasoula; Gagnon, Kevin J.; Teat, Simon J.; Escuer, Albert; Stamatatos, Theocharis C.","Structural diversity in Ni(II) cluster chemistry: Ni5, Ni6, and {NiNa2}n complexes bearing the Schiff-base ligand N-naphthalidene-2-amino-5-chlorobenzoic acid.","Dalton transactions (Cambridge, England : 2003)","2016","45","25","10256","10270","10.1039/c6dt01162d","","","0.71073","MoKα","","0.0715","0.0607","","","0.1179","0.1221","","","","","","1.222","","","","has coordinates,has disorder","185059","2020-10-21","18:00:00",""
"7040188","27.5171","0.0011","27.7084","0.001","31.0222","0.0012","90","","90","","90","","23653","1.6","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C116 H96 Cl10 N6 Ni6 O27.29 -","- C115.998 H93.996 Cl9.996 N6 Ni6 O27.29 -","- C927.984 H751.968 Cl79.968 N48 Ni48 O218.32 -","8","1","","Perlepe, Panagiota S.; Cunha-Silva, Luís; Bekiari, Vlasoula; Gagnon, Kevin J.; Teat, Simon J.; Escuer, Albert; Stamatatos, Theocharis C.","Structural diversity in Ni(II) cluster chemistry: Ni5, Ni6, and {NiNa2}n complexes bearing the Schiff-base ligand N-naphthalidene-2-amino-5-chlorobenzoic acid.","Dalton transactions (Cambridge, England : 2003)","2016","45","25","10256","10270","10.1039/c6dt01162d","","","0.7749","synchrotron","","0.1065","0.0803","","","0.1958","0.219","","","","","","1.073","","","","has coordinates,has disorder","185059","2020-10-21","18:00:00",""
"7040189","11.4665","0.0008","29.025","0.0016","14.1163","0.0009","90","","109.18","0.007","90","","4437.3","0.5","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C44 H49 Cl N8 Ni O10 -","- C44 H49 Cl N8 Ni O10 -","- C176 H196 Cl4 N32 Ni4 O40 -","4","1","","Yilmaz, Veysel T.; Icsel, Ceyda; Suyunova, Feruza; Aygun, Muhittin; Aztopal, Nazlihan; Ulukaya, Engin","Ni(ii)/Cu(ii)/Zn(ii) 5,5-diethylbarbiturate complexes with 1,10-phenanthroline and 2,2'-dipyridylamine: synthesis, structures, DNA/BSA binding, nuclease activity, molecular docking, cellular uptake, cytotoxicity and the mode of cell death.","Dalton transactions (Cambridge, England : 2003)","2016","45","25","10466","10479","10.1039/c6dt01726f","","x-ray","0.71073","MoKα","","0.0757","0.0477","","","0.1058","0.1198","","","","","","1.053","","","","has coordinates,has disorder","185060","2020-10-21","18:00:00",""
"7040190","10.8337","0.0006","11.1812","0.0006","12.3242","0.0005","89.594","0.004","86.509","0.004","66.911","0.005","1370.51","0.13","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H31 N7 O6 Zn -","- C26 H31 N7 O6 Zn -","- C52 H62 N14 O12 Zn2 -","2","1","","Yilmaz, Veysel T.; Icsel, Ceyda; Suyunova, Feruza; Aygun, Muhittin; Aztopal, Nazlihan; Ulukaya, Engin","Ni(ii)/Cu(ii)/Zn(ii) 5,5-diethylbarbiturate complexes with 1,10-phenanthroline and 2,2'-dipyridylamine: synthesis, structures, DNA/BSA binding, nuclease activity, molecular docking, cellular uptake, cytotoxicity and the mode of cell death.","Dalton transactions (Cambridge, England : 2003)","2016","45","25","10466","10479","10.1039/c6dt01726f","","","0.71073","MoKα","","0.0608","0.0484","","","0.1207","0.1275","","","","","","1.061","","","","has coordinates","185060","2020-10-21","18:00:00",""
"7040191","8.987","0.0015","12.946","0.003","25.793","0.006","90","","95.017","0.017","90","","2989.4","1.1","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H35 Cu N7 O8 -","- C26 H35 Cu N7 O8 -","- C104 H140 Cu4 N28 O32 -","4","1","","Yilmaz, Veysel T.; Icsel, Ceyda; Suyunova, Feruza; Aygun, Muhittin; Aztopal, Nazlihan; Ulukaya, Engin","Ni(ii)/Cu(ii)/Zn(ii) 5,5-diethylbarbiturate complexes with 1,10-phenanthroline and 2,2'-dipyridylamine: synthesis, structures, DNA/BSA binding, nuclease activity, molecular docking, cellular uptake, cytotoxicity and the mode of cell death.","Dalton transactions (Cambridge, England : 2003)","2016","45","25","10466","10479","10.1039/c6dt01726f","","x-ray","0.71073","MoKα","","0.1089","0.0508","","","0.1026","0.1109","","","","","","0.802","","","","has coordinates","185060","2020-10-21","18:00:00",""
"7040192","8.679","0.0005","18.703","0.0017","19.3029","0.0011","90","","98.165","0.006","90","","3101.5","0.4","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C28 H33 Cl N8 Ni O5 -","- C28 H33 Cl N8 Ni O5 -","- C112 H132 Cl4 N32 Ni4 O20 -","4","1","","Yilmaz, Veysel T.; Icsel, Ceyda; Suyunova, Feruza; Aygun, Muhittin; Aztopal, Nazlihan; Ulukaya, Engin","Ni(ii)/Cu(ii)/Zn(ii) 5,5-diethylbarbiturate complexes with 1,10-phenanthroline and 2,2'-dipyridylamine: synthesis, structures, DNA/BSA binding, nuclease activity, molecular docking, cellular uptake, cytotoxicity and the mode of cell death.","Dalton transactions (Cambridge, England : 2003)","2016","45","25","10466","10479","10.1039/c6dt01726f","","x-ray","0.71073","MoKα","","0.111","0.057","","","0.1183","0.1407","","","","","","1.03","","","","has coordinates","185060","2020-10-21","18:00:00",""
"7040193","11.9366","0.0005","12.3076","0.0005","12.6106","0.0005","115.369","0.003","98.329","0.003","110.595","0.003","1468.21","0.13","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H32 N6 O7 Zn -","- C28 H32 N6 O7 Zn -","- C56 H64 N12 O14 Zn2 -","2","1","","Yilmaz, Veysel T.; Icsel, Ceyda; Suyunova, Feruza; Aygun, Muhittin; Aztopal, Nazlihan; Ulukaya, Engin","Ni(ii)/Cu(ii)/Zn(ii) 5,5-diethylbarbiturate complexes with 1,10-phenanthroline and 2,2'-dipyridylamine: synthesis, structures, DNA/BSA binding, nuclease activity, molecular docking, cellular uptake, cytotoxicity and the mode of cell death.","Dalton transactions (Cambridge, England : 2003)","2016","45","25","10466","10479","10.1039/c6dt01726f","","","0.71073","MoKα","","0.0416","0.0342","","","0.0909","0.0939","","","","","","1.037","","","","has coordinates","185060","2020-10-21","18:00:00",""
"7040194","17.3587","0.0011","18.5081","0.0009","8.7157","0.0006","90","","102.057","0.005","90","","2738.4","0.3","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C28 H30 Cu N6 O6 -","- C28 H30 Cu N6 O6 -","- C112 H120 Cu4 N24 O24 -","4","0.5","","Yilmaz, Veysel T.; Icsel, Ceyda; Suyunova, Feruza; Aygun, Muhittin; Aztopal, Nazlihan; Ulukaya, Engin","Ni(ii)/Cu(ii)/Zn(ii) 5,5-diethylbarbiturate complexes with 1,10-phenanthroline and 2,2'-dipyridylamine: synthesis, structures, DNA/BSA binding, nuclease activity, molecular docking, cellular uptake, cytotoxicity and the mode of cell death.","Dalton transactions (Cambridge, England : 2003)","2016","45","25","10466","10479","10.1039/c6dt01726f","","","0.71073","MoKα","","0.0711","0.0437","","","0.0799","0.0864","","","","","","0.936","","","","has coordinates","185060","2020-10-21","18:00:00",""
"7040195","8.9512","0.0007","11.0013","0.0008","15.8516","0.0013","71.113","0.006","77.927","0.006","84.721","0.006","1443.8","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H32 Cu N6 O7 -","- C28 H32 Cu N6 O7 -","- C56 H64 Cu2 N12 O14 -","2","1","","Yilmaz, Veysel T.; Icsel, Ceyda; Suyunova, Feruza; Aygun, Muhittin; Aztopal, Nazlihan; Ulukaya, Engin","Ni(ii)/Cu(ii)/Zn(ii) 5,5-diethylbarbiturate complexes with 1,10-phenanthroline and 2,2'-dipyridylamine: synthesis, structures, DNA/BSA binding, nuclease activity, molecular docking, cellular uptake, cytotoxicity and the mode of cell death.","Dalton transactions (Cambridge, England : 2003)","2016","45","25","10466","10479","10.1039/c6dt01726f","","","0.71073","MoKα","","0.099","0.0524","","","0.0922","0.1057","","","","","","0.946","","","","has coordinates,has disorder","185060","2020-10-21","18:00:00",""
"7040196","15.8429","0.0004","16.3266","0.0005","38.8855","0.0013","90","","90","","90","","10058.2","0.5","170","2","170","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","(MePPh2)2[Fe(NO)2]","(MePPh2)2[Fe(NO)2]","","- C26 H26 Fe N2 O2 P2 -","- C26 H26 Fe N2 O2 P2 -","- C416 H416 Fe16 N32 O32 P32 -","16","2","","Wittkamp, F.; Nagel, C.; Lauterjung, P.; Mallick, B.; Schatzschneider, U.; Apfel, U.-P.","Phosphine-ligated dinitrosyl iron complexes for redox-controlled NO release.","Dalton transactions (Cambridge, England : 2003)","2016","45","25","10271","10279","10.1039/c6dt01209d","","","0.71073","MoKα","","0.0593","0.0433","","","0.0932","0.0998","","","","","","1.141","","","","has coordinates","185061","2020-10-21","18:00:00",""
"7040197","13.2945","0.0004","14.662","0.0004","18.8123","0.001","90","","113.101","0.003","90","","3372.9","0.2","170","2","170","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","Diphos(Si)[Fe(NO)2]","Diphos(Si)[Fe(NO)2]","","- C38 H34 Fe N2 O2 P2 Si -","- C38 H34 Fe N2 O2 P2 Si -","- C152 H136 Fe4 N8 O8 P8 Si4 -","4","1","","Wittkamp, F.; Nagel, C.; Lauterjung, P.; Mallick, B.; Schatzschneider, U.; Apfel, U.-P.","Phosphine-ligated dinitrosyl iron complexes for redox-controlled NO release.","Dalton transactions (Cambridge, England : 2003)","2016","45","25","10271","10279","10.1039/c6dt01209d","","","0.71073","MoKα","","0.0442","0.0328","","","0.077","0.0831","","","","","","1.057","","","","has coordinates","185061","2020-10-21","18:00:00",""
"7040198","8.4941","0.0008","24.785","0.002","18.1348","0.0018","90","","108.378","0.008","90","","3623.1","0.6","170","2","170","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","Triphos(C)[Fe(NO)2]","Triphos(C)[Fe(NO)2]","","- C41 H39 Fe N2 O2 P3 -","- C41 H39 Fe N2 O2 P3 -","- C164 H156 Fe4 N8 O8 P12 -","4","1","","Wittkamp, F.; Nagel, C.; Lauterjung, P.; Mallick, B.; Schatzschneider, U.; Apfel, U.-P.","Phosphine-ligated dinitrosyl iron complexes for redox-controlled NO release.","Dalton transactions (Cambridge, England : 2003)","2016","45","25","10271","10279","10.1039/c6dt01209d","","","0.71073","MoKα","","0.1455","0.0633","","","0.0926","0.1211","","","","","","0.974","","","","has coordinates","185061","2020-10-21","18:00:00",""
"7040199","9.228","0.0002","9.2901","0.0002","12.6754","0.0003","91.268","0.002","110.4","0.002","113.798","0.002","914.96","0.04","112","2","112","2","","","","","","","","7","P 1","P 1","1","Triphos(Si)[Fe(NO)2]","Triphos(Si)[Fe(NO)2]","","- C40 H39 Fe N2 O2 P3 Si -","- C40 H39 Fe N2 O2 P3 Si -","- C40 H39 Fe N2 O2 P3 Si -","1","1","","Wittkamp, F.; Nagel, C.; Lauterjung, P.; Mallick, B.; Schatzschneider, U.; Apfel, U.-P.","Phosphine-ligated dinitrosyl iron complexes for redox-controlled NO release.","Dalton transactions (Cambridge, England : 2003)","2016","45","25","10271","10279","10.1039/c6dt01209d","","","1.54184","CuKα","","0.0239","0.0233","","","0.0608","0.0611","","","","","","1.033","","","","has coordinates","185061","2020-10-21","18:00:00",""
"7040200","32.4767","0.0019","12.0362","0.0007","40.298","0.002","90","","114.988","0.007","90","","14277.9","1.6","150.03","0.18","150.03","0.18","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C70 H63 B Br Co F24 N3 O -","- C70 H63 B Br Co F24 N3 O -","- C560 H504 B8 Br8 Co8 F192 N24 O8 -","8","1","","Alnajrani, Mohammed N.; Mair, Francis S.","Bidentate forms of β-triketimines: syntheses, characterization and outstanding performance of enamine-diimine cobalt complexes in isoprene polymerization.","Dalton transactions (Cambridge, England : 2003)","2016","45","25","10435","10446","10.1039/c6dt01064d","","","0.71073","MoKα","","0.1107","0.0689","","","0.1344","0.154","","","","","","1.011","","","","has coordinates,has disorder","185063","2020-10-21","18:00:00",""
"7040201","15.6906","0.0011","14.968","0.001","17.0951","0.0013","90","","96.021","0.006","90","","3992.8","0.5","150.01","0.13","150.01","0.13","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C40 H47 Br2 Cl2 Co N3 -","- C40 H47 Br2 Cl2 Co N3 -","- C160 H188 Br8 Cl8 Co4 N12 -","4","1","","Alnajrani, Mohammed N.; Mair, Francis S.","Bidentate forms of β-triketimines: syntheses, characterization and outstanding performance of enamine-diimine cobalt complexes in isoprene polymerization.","Dalton transactions (Cambridge, England : 2003)","2016","45","25","10435","10446","10.1039/c6dt01064d","","x-ray","0.71073","MoKα","","0.106","0.0522","","","0.1105","0.1293","","","","","","1.046","","","","has coordinates,has disorder","185063","2020-10-21","18:00:00",""
"7040202","11.1202","0.0003","15.6332","0.0003","16.5211","0.0003","90","","94.422","0.002","90","","2863.55","0.11","130","2","130","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H42 N2 Ni P2 -","- C26 H42 N2 Ni P2 -","- C104 H168 N8 Ni4 P8 -","4","1","","Zurita, Daniel A.; Flores-Alamo, Marcos; García, Juventino J","Catalytic transfer hydrogenation of azobenzene by low-valent nickel complexes: a route to 1,2-disubstituted benzimidazoles and 2,4,5-trisubstituted imidazolines.","Dalton transactions (Cambridge, England : 2003)","2016","45","25","10389","10401","10.1039/c6dt01674j","","","0.71073","MoKα","","0.0369","0.0316","","","0.0916","0.0948","","","","","","1.073","","","","has coordinates","185064","2020-10-21","18:00:00",""
"7040203","11.167","0.0002","15.7392","0.0003","16.555","0.0003","90","","94.374","0.001","90","","2901.23","0.09","130","2","130","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C26 H40 F2 N2 Ni P2 -","- C26 H40 F2 N2 Ni P2 -","- C104 H160 F8 N8 Ni4 P8 -","4","1","","Zurita, Daniel A.; Flores-Alamo, Marcos; García, Juventino J","Catalytic transfer hydrogenation of azobenzene by low-valent nickel complexes: a route to 1,2-disubstituted benzimidazoles and 2,4,5-trisubstituted imidazolines.","Dalton transactions (Cambridge, England : 2003)","2016","45","25","10389","10401","10.1039/c6dt01674j","","","1.54184","CuKα","","0.0359","0.0307","","","0.0809","0.0841","","","","","","1.039","","","","has coordinates","185064","2020-10-21","18:00:00",""
"7040204","38.069","0.002","17.3973","0.0006","8.3793","0.0003","90","","90","","90","","5549.6","0.4","130","2","130","2","","","","","","","","6","F d d 2","F 2 -2d","43","","","","- C26 H40 F2 N2 Ni P2 -","- C26 H40 F2 N2 Ni P2 -","- C208 H320 F16 N16 Ni8 P16 -","8","0.5","","Zurita, Daniel A.; Flores-Alamo, Marcos; García, Juventino J","Catalytic transfer hydrogenation of azobenzene by low-valent nickel complexes: a route to 1,2-disubstituted benzimidazoles and 2,4,5-trisubstituted imidazolines.","Dalton transactions (Cambridge, England : 2003)","2016","45","25","10389","10401","10.1039/c6dt01674j","","","0.71073","MoKα","","0.0391","0.0319","","","0.0661","0.0702","","","","","","1.054","","","","has coordinates","185064","2020-10-21","18:00:00",""
"7040205","13.737","0.0004","13.737","0.0013","44.111","0.0015","90","","90","","120","","7208.8","0.8","293","2","293","2","","","","","","","","7","R -3 :H","-R 3","148","","","","- C44 H39 Cl2 Mn N11 O11 S3 -","- C43.9998 H38.9997 Cl2 Mn N11 O11 S3 -","- C263.999 H233.998 Cl12 Mn6 N66 O66 S18 -","6","0.333333","","Saad, Fawaz A.; Knight, James C.; Kariuki, Benson M.; Amoroso, Angelo J.","Co-ordination behaviour of a novel tristhiourea tripodal ligand; structural variations in a series of transition metal complexes.","Dalton transactions (Cambridge, England : 2003)","2016","45","25","10280","10288","10.1039/c6dt01148a","","","0.71073","MoKα","","0.1343","0.0739","","","0.1455","0.1632","","","","","","0.939","","","","has coordinates","185065","2020-10-21","18:00:00",""
"7040206","13.878","0.0017","13.878","0.0017","43.257","0.008","90","","90","","120","","7215.1","1.8","150","2","150","2","","","","","","","","7","R -3 :H","-R 3","148","","","","- C42 H36.5 Cd Cl2 N10 O11.25 S3 -","- C42 H36 Cd Cl2 N10 O11.25 S3 -","- C252 H216 Cd6 Cl12 N60 O67.5 S18 -","6","0.333333","","Saad, Fawaz A.; Knight, James C.; Kariuki, Benson M.; Amoroso, Angelo J.","Co-ordination behaviour of a novel tristhiourea tripodal ligand; structural variations in a series of transition metal complexes.","Dalton transactions (Cambridge, England : 2003)","2016","45","25","10280","10288","10.1039/c6dt01148a","","","0.71073","MoKα","","0.0925","0.0844","","","0.2064","0.2295","","","","","","1.018","","","","has coordinates","185065","2020-10-21","18:00:00",""
"7040207","13.845","0.0005","14.643","0.0005","15.803","0.0006","107.831","0.002","97.828","0.002","94.342","0.002","2997.95","0.19","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C51.2 H50.6 Cl2 N14.6 Ni O11.4 S3 -","- C51.202 H49.803 Cl2 N14.601 Ni O11.399 S3 -","- C102.404 H99.606 Cl4 N29.202 Ni2 O22.798 S6 -","2","1","","Saad, Fawaz A.; Knight, James C.; Kariuki, Benson M.; Amoroso, Angelo J.","Co-ordination behaviour of a novel tristhiourea tripodal ligand; structural variations in a series of transition metal complexes.","Dalton transactions (Cambridge, England : 2003)","2016","45","25","10280","10288","10.1039/c6dt01148a","","","0.71073","MoKα","","0.1942","0.0931","","","0.2129","0.2617","","","","","","1.031","","","","has coordinates,has disorder","185065","2020-10-21","18:00:00",""
"7040208","30.591","0.0003","19.795","0.0003","17.537","0.0005","90","","90","","90","","10619.5","0.4","150","2","150","2","","","","","","","","7","P c c n","-P 2ab 2ac","56","","","","- C45 H40 Cl5 N11 O11 S3 Zn -","- C45 H40 Cl5 N11 O11 S3 Zn -","- C360 H320 Cl40 N88 O88 S24 Zn8 -","8","1","","Saad, Fawaz A.; Knight, James C.; Kariuki, Benson M.; Amoroso, Angelo J.","Co-ordination behaviour of a novel tristhiourea tripodal ligand; structural variations in a series of transition metal complexes.","Dalton transactions (Cambridge, England : 2003)","2016","45","25","10280","10288","10.1039/c6dt01148a","","","0.71073","MoKα","","0.131","0.0853","","","0.2035","0.2283","","","","","","1.031","","","","has coordinates,has disorder","185065","2020-10-21","18:00:00",""
"7040209","8.3122","0.0008","12.1619","0.0012","13.3122","0.0013","100.073","0.005","96.132","0.005","104.518","0.005","1266.6","0.2","190","2","190","2","","","","","","","","7","P -1","-P 1","2","","","","- C21 H39 Cl N O2 P2 Rh -","- C21 H39 Cl N O2 P2 Rh -","- C42 H78 Cl2 N2 O4 P4 Rh2 -","2","1","","Lee, Kyounghoon; Wei, Haochuan; Blake, Anastasia V.; Donahue, Courtney M.; Keith, Jason M.; Daly, Scott R.","Ligand K-edge XAS, DFT, and TDDFT analysis of pincer linker variations in Rh(i) PNP complexes: reactivity insights from electronic structure.","Dalton transactions (Cambridge, England : 2003)","2016","45","24","9774","9785","10.1039/c6dt00200e","","","0.71073","MoKα","","0.0351","0.0289","","","0.0729","0.0907","","","","","","1.24","","","","has coordinates","185066","2020-10-21","18:00:00",""
"7040210","12.4291","0.0014","12.52","0.0016","19.396","0.002","80.76","0.004","81.9","0.003","86.065","0.004","2946.1","0.6","147","2","147","2","","","","","","","","6","P -1","-P 1","2","","DPSe-MIDA","","- C29 H28.5 B2 N3.5 O8 Se -","- C29 H28.5 B2 N3.5 O8 Se -","- C116 H114 B8 N14 O32 Se4 -","4","2","","Li, Peng-Fei; Qian, Chenxi; Lough, Alan J.; Ozin, Geoffrey A.; Seferos, Dwight S.","Permanently porous hydrogen-bonded frameworks of rod-like thiophenes, selenophenes, and tellurophenes capped with MIDA boronates.","Dalton transactions (Cambridge, England : 2003)","2016","45","24","9754","9757","10.1039/c5dt04960a","","","0.71073","MoKα","","0.0875","0.0454","","","0.1006","0.1153","","","","","","1.038","","","","has coordinates","192220","2020-10-21","18:00:00",""
"7040211","12.3898","0.0005","12.5148","0.0005","19.2391","0.0008","80.953","0.002","81.408","0.002","85.928","0.002","2909.5","0.2","147","2","147","2","","","","","","","","6","P -1","-P 1","2","","DPT-MIDA","","- C29 H28.5 B2 N3.5 O8 S -","- C29 H28.5 B2 N3.5 O8 S -","- C116 H114 B8 N14 O32 S4 -","4","2","","Li, Peng-Fei; Qian, Chenxi; Lough, Alan J.; Ozin, Geoffrey A.; Seferos, Dwight S.","Permanently porous hydrogen-bonded frameworks of rod-like thiophenes, selenophenes, and tellurophenes capped with MIDA boronates.","Dalton transactions (Cambridge, England : 2003)","2016","45","24","9754","9757","10.1039/c5dt04960a","","","1.54178","CuKα","","0.0383","0.0353","","","0.0878","0.0903","","","","","","1.03","","","","has coordinates,has disorder","185067","2020-10-21","18:00:00",""
"7040212","12.2262","0.0004","6.03311","0.00018","12.5465","0.0005","90","","115.216","0.001","90","","837.26","0.05","296","","296","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C22 H17 As -","- C22 H17 As -","- C44 H34 As2 -","2","1","","Ishidoshiro, Makoto; Imoto, Hiroaki; Tanaka, Susumu; Naka, Kensuke","An experimental study on arsoles: structural variation, optical and electronic properties, and emission behavior.","Dalton transactions (Cambridge, England : 2003)","2016","45","21","8717","8723","10.1039/c6dt01010e","","","0.71075","MoKα","","","0.0246","","","","0.0409","","","","","","1.205","","","","has coordinates","185068","2020-10-21","18:00:00",""
"7040213","7.88163","0.00018","16.2823","0.0004","15.3253","0.0003","90","","90","","90","","1966.71","0.08","296","","296","","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C24 H21 As O2 -","- C24 H21 As O2 -","- C96 H84 As4 O8 -","4","0.5","","Ishidoshiro, Makoto; Imoto, Hiroaki; Tanaka, Susumu; Naka, Kensuke","An experimental study on arsoles: structural variation, optical and electronic properties, and emission behavior.","Dalton transactions (Cambridge, England : 2003)","2016","45","21","8717","8723","10.1039/c6dt01010e","","","0.71075","MoKα","","","0.0306","","","","0.0934","","","","","","1.009","","","","has coordinates","185068","2020-10-21","18:00:00",""
"7040214","12.1722","0.0005","5.9237","0.0002","12.6791","0.0006","90","","115.892","0.0015","90","","822.45","0.06","296","","296","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C22 H17 P -","- C22 H17 P -","- C44 H34 P2 -","2","1","","Ishidoshiro, Makoto; Imoto, Hiroaki; Tanaka, Susumu; Naka, Kensuke","An experimental study on arsoles: structural variation, optical and electronic properties, and emission behavior.","Dalton transactions (Cambridge, England : 2003)","2016","45","21","8717","8723","10.1039/c6dt01010e","","","0.71075","MoKα","","","0.0308","","","","0.0618","","","","","","1.036","","","","has coordinates","185068","2020-10-21","18:00:00",""
"7040215","14.835","0.007","16.985","0.008","17.058","0.008","92.394","0.006","113.914","0.0015","112.016","0.005","3546","3","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C64 H168 Cl8 N28 O60 Pt8 Rh6 -","- C64 H168 Cl8 N28 O60 Pt8 Rh6 -","- C64 H168 Cl8 N28 O60 Pt8 Rh6 -","1","0.5","","Yamada, Tomofumi; Ebihara, Masahiro; Uemura, Kazuhiro","Heterometallic one-dimensional chain with tetradeca metal repetition constructed by amidate bridged dirhodium and pivalate bridged diplatinum complexes influenced by hydrogen bonding.","Dalton transactions (Cambridge, England : 2003)","2016","45","31","12322","12328","10.1039/c6dt01601d","","","0.7107","MoKα","","0.147","0.0842","","","0.1814","0.2229","","","","","","1.004","","","","has coordinates,has disorder","185069","2020-10-21","18:00:00",""
"7040216","6.83663","0.00014","6.83663","0.00014","9.14429","0.00019","90","","90","","120","","370.139","0.013","298","","298","","","","","","","","","5","P -3 m 1","-P 3 2""","164","","Iron Manganese Silicon Tin Oxide","","- Fe3.19 Mn0.81 O16 Si2 Sn7 -","- Fe3.187 Mn0.813 O16.0007 Si2.00012 Sn7.00024 -","- Fe3.187 Mn0.813 O16.0007 Si2.00012 Sn7.00024 -","1","0.0833333","","Allison, M. C.; Avdeev, M.; Schmid, S.; Liu, S.; Söhnel, T; Ling, C. D.","Synthesis, structure and geometrically frustrated magnetism of the layered oxide-stannide compounds Fe(Fe3-xMnx)Si2Sn7O16.","Dalton transactions (Cambridge, England : 2003)","2016","45","23","9689","9694","10.1039/c6dt01074a","powder diffraction","","1.6215","neutron","","","","","","","","","4.4786","1.6","","","","","","","has coordinates","185070","2020-10-21","18:00:00",""
"7040217","5.8323","0.0006","5.8323","0.0006","3.1823","0.0006","90","","90","","90","","108.25","0.03","298","","298","","","","","","","","","1","I 41/a m d :2","-I 4bd 2","141","","Tin","","- Sn -","- Sn -","- Sn4 -","4","0.125","","Allison, M. C.; Avdeev, M.; Schmid, S.; Liu, S.; Söhnel, T; Ling, C. D.","Synthesis, structure and geometrically frustrated magnetism of the layered oxide-stannide compounds Fe(Fe3-xMnx)Si2Sn7O16.","Dalton transactions (Cambridge, England : 2003)","2016","45","23","9689","9694","10.1039/c6dt01074a","powder diffraction","","1.6215","neutron","","","","","","","","","10.9186","1.6","","","","","","","has coordinates","185070","2020-10-21","18:00:00",""
"7040218","10.3004","0.0003","11.1497","0.0005","13.8083","0.0004","90","","110.605","0.002","90","","1484.39","0.09","150","1","150","1","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","4,5-dioxo-naphtho[1,2-d][1,2,3]dithiazol-2-ium","","- C10 H4 Cl4 Fe N O2 S2 -","- C10 H4 Cl4 Fe N O2 S2 -","- C40 H16 Cl16 Fe4 N4 O8 S8 -","4","1","","Smithson, Chad S.; MacDonald, Daniel J.; Matt Letvenuk, T.; Carello, Christian E.; Jennings, Michael; Lough, Alan J.; Britten, James; Decken, Andreas; Preuss, Kathryn E.","A 1,2,3-dithiazolyl-o-naphthoquinone: a neutral radical with isolable cation and anion oxidation states.","Dalton transactions (Cambridge, England : 2003)","2016","45","23","9608","9620","10.1039/c6dt01249c","","","0.71073","MoKα","","0.0541","0.0363","","","0.0851","0.0945","","","","","","1.054","","","","has coordinates","185071","2020-10-21","18:00:00",""
"7040219","15.964","0.0012","11.7083","0.0015","11.632","0.002","90","","101.59","0.008","90","","2129.8","0.5","150","1","150","1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C40 H24 Li4 N4 O12 S8 -","- C40 H24 Li4 N4 O12 S8 -","- C80 H48 Li8 N8 O24 S16 -","2","0.5","","Smithson, Chad S.; MacDonald, Daniel J.; Matt Letvenuk, T.; Carello, Christian E.; Jennings, Michael; Lough, Alan J.; Britten, James; Decken, Andreas; Preuss, Kathryn E.","A 1,2,3-dithiazolyl-o-naphthoquinone: a neutral radical with isolable cation and anion oxidation states.","Dalton transactions (Cambridge, England : 2003)","2016","45","23","9608","9620","10.1039/c6dt01249c","","","0.71073","MoKα","","0.1408","0.076","","","0.1705","0.2085","","","","","","1.072","","","","has coordinates","185071","2020-10-21","18:00:00",""
"7040220","15.2462","0.0014","3.8351","0.0002","16.5627","0.0014","90","","110.361","0.003","90","","907.92","0.12","150","1","150","1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","4-hydroxy-naphtho[1,2-d][1,2,3]dithiazol-5-one","","- C10 H5 N O2 S2 -","- C10 H5 N O2 S2 -","- C40 H20 N4 O8 S8 -","4","1","","Smithson, Chad S.; MacDonald, Daniel J.; Matt Letvenuk, T.; Carello, Christian E.; Jennings, Michael; Lough, Alan J.; Britten, James; Decken, Andreas; Preuss, Kathryn E.","A 1,2,3-dithiazolyl-o-naphthoquinone: a neutral radical with isolable cation and anion oxidation states.","Dalton transactions (Cambridge, England : 2003)","2016","45","23","9608","9620","10.1039/c6dt01249c","","","0.71073","MoKα","","0.128","0.0586","","","0.12","0.1505","","","","","","1.044","","","","has coordinates","185071","2020-10-21","18:00:00",""
"7040221","19.62","0.005","5.8942","0.0015","8.422","0.002","90","","90","","90","","974","0.4","150","2","150","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","4,5-dioxo-naphtho[1,2-d][1,2,3]dithiazol-2-ium chloride","","- C10 H4 Cl N O2 S2 -","- C10 H4 Cl N O2 S2 -","- C40 H16 Cl4 N4 O8 S8 -","4","0.5","","Smithson, Chad S.; MacDonald, Daniel J.; Matt Letvenuk, T.; Carello, Christian E.; Jennings, Michael; Lough, Alan J.; Britten, James; Decken, Andreas; Preuss, Kathryn E.","A 1,2,3-dithiazolyl-o-naphthoquinone: a neutral radical with isolable cation and anion oxidation states.","Dalton transactions (Cambridge, England : 2003)","2016","45","23","9608","9620","10.1039/c6dt01249c","","","0.71073","MoKα","","0.0529","0.0373","","","0.0913","0.0988","","","","","","1.063","","","","has coordinates","185071","2020-10-21","18:00:00",""
"7040222","8.0862","0.0015","9.4172","0.0018","19.659","0.004","90","","90.079","0.004","90","","1497","0.5","150","2","150","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","4,5-dioxo-naphtho[1,2-d][1,2,3]dithiazol-2-ium tetrachlorogallatel","","- C10 H4 Cl4 Ga N O2 S2 -","- C10 H4 Cl4 Ga N O2 S2 -","- C40 H16 Cl16 Ga4 N4 O8 S8 -","4","1","","Smithson, Chad S.; MacDonald, Daniel J.; Matt Letvenuk, T.; Carello, Christian E.; Jennings, Michael; Lough, Alan J.; Britten, James; Decken, Andreas; Preuss, Kathryn E.","A 1,2,3-dithiazolyl-o-naphthoquinone: a neutral radical with isolable cation and anion oxidation states.","Dalton transactions (Cambridge, England : 2003)","2016","45","23","9608","9620","10.1039/c6dt01249c","","","0.71073","MoKα","","0.0418","0.0281","","","0.0529","0.058","","","","","","1.025","","","","has coordinates","185071","2020-10-21","18:00:00",""
"7040223","17.0537","0.0017","6.496","0.0006","25.224","0.003","90","","90","","90","","2794.3","0.5","150","2","150","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","4,5-dioxo-naphtho[1,2-d][1,2,3]dithiazol-2-ium triflate","","- C11 H4 F3 N O5 S3 -","- C11 H4 F3 N O5 S3 -","- C88 H32 F24 N8 O40 S24 -","8","1","","Smithson, Chad S.; MacDonald, Daniel J.; Matt Letvenuk, T.; Carello, Christian E.; Jennings, Michael; Lough, Alan J.; Britten, James; Decken, Andreas; Preuss, Kathryn E.","A 1,2,3-dithiazolyl-o-naphthoquinone: a neutral radical with isolable cation and anion oxidation states.","Dalton transactions (Cambridge, England : 2003)","2016","45","23","9608","9620","10.1039/c6dt01249c","","","0.71073","MoKα","","0.0577","0.0341","","","0.0694","0.0782","","","","","","1.018","","","","has coordinates","185071","2020-10-21","18:00:00",""
"7040224","4.7207","0.0005","13.3232","0.0013","18.4301","0.0018","90","","92.977","0.002","90","","1157.6","0.2","198","1","198","1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","5-oxo-naphtho[1,2-d][1,2,3]dithiazol-4-yl acetate","","- C12 H7 N O3 S2 -","- C12 H7 N O3 S2 -","- C48 H28 N4 O12 S8 -","4","1","","Smithson, Chad S.; MacDonald, Daniel J.; Matt Letvenuk, T.; Carello, Christian E.; Jennings, Michael; Lough, Alan J.; Britten, James; Decken, Andreas; Preuss, Kathryn E.","A 1,2,3-dithiazolyl-o-naphthoquinone: a neutral radical with isolable cation and anion oxidation states.","Dalton transactions (Cambridge, England : 2003)","2016","45","23","9608","9620","10.1039/c6dt01249c","","x-ray","0.71073","MoKα","","0.0529","0.032","","","0.0751","0.0884","","","","","","1.114","","","","has coordinates","185071","2020-10-21","18:00:00",""
"7040225","8.3156","0.0016","10.872","0.002","10.992","0.002","61.995","0.003","86.869","0.004","85.509","0.004","874.5","0.3","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","naphtha[1,2-d][1,2,3]dithiazolyl-4,5-dione","","- C10 H4 N O2 S2 -","- C10 H4 N O2 S2 -","- C40 H16 N4 O8 S8 -","4","2","","Smithson, Chad S.; MacDonald, Daniel J.; Matt Letvenuk, T.; Carello, Christian E.; Jennings, Michael; Lough, Alan J.; Britten, James; Decken, Andreas; Preuss, Kathryn E.","A 1,2,3-dithiazolyl-o-naphthoquinone: a neutral radical with isolable cation and anion oxidation states.","Dalton transactions (Cambridge, England : 2003)","2016","45","23","9608","9620","10.1039/c6dt01249c","","","0.71073","MoKα","","0.0441","0.0355","","","0.0867","0.0925","","","","","","1.05","","","","has coordinates","185071","2020-10-21","18:00:00",""
"7040226","24.673","0.012","42.718","0.009","24.298","0.005","90","","90.01","0.04","90","","25610","15","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C161 H236 Cu6 Dy8 N80 O27 -","- C161 H236 Cu6 Dy8 N80 O27 -","- C644 H944 Cu24 Dy32 N320 O108 -","4","0.5","","Li, Li; Zhang, Yingjie; Avdeev, Maxim; Lindoy, Leonard F.; Harman, David G.; Zheng, Rongkun; Cheng, Zhenxiang; Aldrich-Wright, Janice R; Li, Feng","Self-assembly of a unique 3d/4f heterometallic square prismatic box-like coordination cage.","Dalton transactions (Cambridge, England : 2003)","2016","45","23","9407","9411","10.1039/c6dt01651k","","","0.71073","silicondoublecrystalmonochromatedsynchrotron","","0.0741","0.0589","","","0.1652","0.1779","","","","","","1.035","","","","has coordinates","185072","2020-10-21","18:00:00",""
"7040228","8.9647","0.001","8.9647","0.001","10.975","0.003","90","","90","","120","","763.8","0.2","293","","293","","","","","","","","","3","P -6 2 m","P -6 -2","189","","","","- Al9.63 Au3.37 Ce16 -","- Al9.63 Au3.37 Ce16 -","- Al9.63 Au3.37 Ce16 -","1","0.0833333","","Stegemann, Frank; Janka, Oliver","RE16AuxAl13-x with RE = La-Nd, Sm (x≤ 3.37): synthesis, crystal structure and physical properties of an intermetallic solid solution with barrelane analogue units.","Dalton transactions (Cambridge, England : 2003)","2016","45","35","13863","13871","10.1039/c6dt02649d","","x-ray","0.71073","MoKα","","0.0227","0.0168","","","0.0338","0.0354","","","","1.05","1.05","1.05","","","","has coordinates","186371","2020-10-21","18:00:00",""
"7040229","9.0909","0.0003","9.0909","0.0003","11.1315","0.0004","90","","90","","120","","796.71","0.05","293","","293","","","","","","","","","3","P -6 2 m","P -6 -2","189","","","","- Al10.15 Au2.85 La16 -","- Al10.145 Au2.855 La16 -","- Al10.145 Au2.855 La16 -","1","0.0833333","","Stegemann, Frank; Janka, Oliver","RE16AuxAl13-x with RE = La-Nd, Sm (x≤ 3.37): synthesis, crystal structure and physical properties of an intermetallic solid solution with barrelane analogue units.","Dalton transactions (Cambridge, England : 2003)","2016","45","35","13863","13871","10.1039/c6dt02649d","","x-ray","0.71073","MoKα","","0.0413","0.0256","","","0.0487","0.0513","","","","0.98","0.98","0.86","","","","has coordinates","186371","2020-10-21","18:00:00",""
"7040230","10.3075","0.0003","17.9552","0.0006","23.3943","0.0008","90","","96.033","0.001","90","","4305.7","0.2","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C47 H55 Br2 Mn N3 -","- C47 H55 Br2 Mn N3 -","- C188 H220 Br8 Mn4 N12 -","4","1","","Jurca, Titel; Ouanounou, Sarah; Shih, Wei-Chih; Ong, Tiow-Gan; Yap, Glenn P. A.; Korobkov, Ilia; Gorelsky, Serge; Richeson, Darrin","Structural and electronic trends for five coordinate 1(st) row transition metal complexes: Mn(ii) to Zn(ii) captured in a bis(iminopyridine) framework.","Dalton transactions (Cambridge, England : 2003)","2016","45","36","14327","14334","10.1039/c6dt02598f","","","0.71073","MoKα","","0.0692","0.0388","","","0.0738","0.0828","","","","","","1.005","","","","has coordinates,has disorder","187109","2020-10-21","18:00:00",""
"7040231","10.199","0.0002","17.8294","0.0004","23.3592","0.0005","90","","96.036","0.001","90","","4224.14","0.16","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C47 H55 Br2 Fe N3 -","- C47 H55 Br2 Fe N3 -","- C188 H220 Br8 Fe4 N12 -","4","1","","Jurca, Titel; Ouanounou, Sarah; Shih, Wei-Chih; Ong, Tiow-Gan; Yap, Glenn P. A.; Korobkov, Ilia; Gorelsky, Serge; Richeson, Darrin","Structural and electronic trends for five coordinate 1(st) row transition metal complexes: Mn(ii) to Zn(ii) captured in a bis(iminopyridine) framework.","Dalton transactions (Cambridge, England : 2003)","2016","45","36","14327","14334","10.1039/c6dt02598f","","","0.71073","MoKα","","0.0571","0.0353","","","0.0753","0.0821","","","","","","1.037","","","","has coordinates","187109","2020-10-21","18:00:00",""
"7040232","10.1944","0.0003","17.8757","0.0005","23.3736","0.0006","90","","95.959","0.001","90","","4236.4","0.2","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C47 H55 Br2 Co N3 -","- C47 H55 Br2 Co N3 -","- C188 H220 Br8 Co4 N12 -","4","1","","Jurca, Titel; Ouanounou, Sarah; Shih, Wei-Chih; Ong, Tiow-Gan; Yap, Glenn P. A.; Korobkov, Ilia; Gorelsky, Serge; Richeson, Darrin","Structural and electronic trends for five coordinate 1(st) row transition metal complexes: Mn(ii) to Zn(ii) captured in a bis(iminopyridine) framework.","Dalton transactions (Cambridge, England : 2003)","2016","45","36","14327","14334","10.1039/c6dt02598f","","","0.71073","MoKα","","0.0623","0.0342","","","0.0667","0.0749","","","","","","1.055","","","","has coordinates","187109","2020-10-21","18:00:00",""
"7040233","10.2419","0.0012","17.972","0.002","23.493","0.003","90","","95.616","0.002","90","","4303.5","0.9","200","2","200","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C47 H55 Br2 N3 Ni -","- C47 H55 Br2 N3 Ni -","- C188 H220 Br8 N12 Ni4 -","4","1","","Jurca, Titel; Ouanounou, Sarah; Shih, Wei-Chih; Ong, Tiow-Gan; Yap, Glenn P. A.; Korobkov, Ilia; Gorelsky, Serge; Richeson, Darrin","Structural and electronic trends for five coordinate 1(st) row transition metal complexes: Mn(ii) to Zn(ii) captured in a bis(iminopyridine) framework.","Dalton transactions (Cambridge, England : 2003)","2016","45","36","14327","14334","10.1039/c6dt02598f","","","0.71073","MoKα","","0.1021","0.0549","","","0.1439","0.1788","","","","","","1.048","","","","has coordinates","187109","2020-10-21","18:00:00",""
"7040234","15.461","0.009","20.21","0.006","17.44","0.005","90","","115.478","0.015","90","","4919","4","200","2","200","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C48.5 H58 Br2 Cl3 Cu N3 -","- C48.5 H58 Br2 Cl3 Cu N3 -","- C194 H232 Br8 Cl12 Cu4 N12 -","4","1","","Jurca, Titel; Ouanounou, Sarah; Shih, Wei-Chih; Ong, Tiow-Gan; Yap, Glenn P. A.; Korobkov, Ilia; Gorelsky, Serge; Richeson, Darrin","Structural and electronic trends for five coordinate 1(st) row transition metal complexes: Mn(ii) to Zn(ii) captured in a bis(iminopyridine) framework.","Dalton transactions (Cambridge, England : 2003)","2016","45","36","14327","14334","10.1039/c6dt02598f","","","0.71073","MoKα","","0.1193","0.0617","","","0.1266","0.155","","","","","","1.009","","","","has coordinates,has disorder","187109","2020-10-21","18:00:00",""
"7040235","16.3022","0.001","20.3682","0.0013","16.9832","0.0011","90","","117.314","0.004","90","","5010.5","0.6","200","2","200","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C53 H60 Br2 Cl N3 Zn -","- C53 H60 Br2 Cl N3 Zn -","- C212 H240 Br8 Cl4 N12 Zn4 -","4","1","","Jurca, Titel; Ouanounou, Sarah; Shih, Wei-Chih; Ong, Tiow-Gan; Yap, Glenn P. A.; Korobkov, Ilia; Gorelsky, Serge; Richeson, Darrin","Structural and electronic trends for five coordinate 1(st) row transition metal complexes: Mn(ii) to Zn(ii) captured in a bis(iminopyridine) framework.","Dalton transactions (Cambridge, England : 2003)","2016","45","36","14327","14334","10.1039/c6dt02598f","","","0.71073","MoKα","","0.0652","0.0415","","","0.0919","0.102","","","","","","1.019","","","","has coordinates","187109","2020-10-21","18:00:00",""
"7040236","11.5029","0.0001","18.5947","0.0002","19.8118","0.0002","90","","100.283","0.001","90","","4169.54","0.07","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C47 H47 Cl2 N3 O Pd -","- C47 H47 Cl2 N3 O Pd -","- C188 H188 Cl8 N12 O4 Pd4 -","4","1","","Ouyang, Jia-Sheng; Li, Yan-Fang; Shen, Dong-Sheng; Ke, Zhuofeng; Liu, Feng-Shou","Bulky α-diimine palladium complexes: highly efficient for direct C-H bond arylation of heteroarenes under aerobic conditions.","Dalton transactions (Cambridge, England : 2003)","2016","45","38","14919","14927","10.1039/c6dt02544g","","","0.71073","MoKα","","0.033","0.0257","","","0.0596","0.0637","","","","","","1.058","","","","has coordinates","187057","2020-10-21","18:00:00",""
"7040237","12.6016","0.0016","13.0528","0.0017","17.415","0.002","98.852","0.002","107.463","0.002","105.279","0.002","2550","0.6","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C58 H52 Cl6 N2 Pd -","- C58 H52 Cl6 N2 Pd -","- C116 H104 Cl12 N4 Pd2 -","2","1","","Ouyang, Jia-Sheng; Li, Yan-Fang; Shen, Dong-Sheng; Ke, Zhuofeng; Liu, Feng-Shou","Bulky α-diimine palladium complexes: highly efficient for direct C-H bond arylation of heteroarenes under aerobic conditions.","Dalton transactions (Cambridge, England : 2003)","2016","45","38","14919","14927","10.1039/c6dt02544g","","","0.71073","MoKα","","0.0543","0.0391","","","0.0919","0.1003","","","","","","1.053","","","","has coordinates","187057","2020-10-21","18:00:00",""
"7040238","15.6578","0.0004","16.2539","0.0005","23.8975","0.0007","90","","106.036","0.002","90","","5845.3","0.3","200","2","200","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C28 H23 Cl2 N2 Ni P S2 Sn -","- C28 H23 Cl2 N2 Ni P S2 Sn -","- C224 H184 Cl16 N16 Ni8 P8 S16 Sn8 -","8","2","","Wächtler, Erik; Gericke, Robert; Brendler, Erica; Gerke, Birgit; Langer, Thorsten; Pöttgen, Rainer; Zhechkov, Lyuben; Heine, Thomas; Wagler, Jörg","Group 10-group 14 metal complexes [E-TM](IV): the role of the group 14 site as an L, X and Z-type ligand.","Dalton transactions (Cambridge, England : 2003)","2016","45","36","14252","14264","10.1039/c6dt01621a","","","0.71073","MoKα","","0.0411","0.0255","","","0.0523","0.0568","","","","","","1.025","","","","has coordinates","187113","2020-10-21","18:00:00",""
"7040239","9.5367","0.0002","22.055","0.0004","26.8568","0.0006","90","","96.955","0.002","90","","5607.3","0.2","200","2","200","2","","","","","","","","9","P 1 21/n 1","-P 2yn","14","","","","- C56 H46 Cl2 Ge2 N4 O P2 Pd2 S4 -","- C53.48 H43.93 Cl2 Ge2.013 N3.82 O P2 Pd2.013 S4 -","- C213.92 H175.72 Cl8 Ge8.052 N15.28 O4 P8 Pd8.052 S16 -","4","1","","Wächtler, Erik; Gericke, Robert; Brendler, Erica; Gerke, Birgit; Langer, Thorsten; Pöttgen, Rainer; Zhechkov, Lyuben; Heine, Thomas; Wagler, Jörg","Group 10-group 14 metal complexes [E-TM](IV): the role of the group 14 site as an L, X and Z-type ligand.","Dalton transactions (Cambridge, England : 2003)","2016","45","36","14252","14264","10.1039/c6dt01621a","","","0.71073","MoKα","","0.0542","0.0373","","","0.0857","0.0916","","","","","","1.042","","","","has coordinates,has disorder","187113","2020-10-21","18:00:00",""
"7040240","13.2982","0.0003","16.9219","0.0004","32.2817","0.0007","90","","90","","90","","7264.4","0.3","200","2","200","2","","","","","","","","8","P b c a","-P 2ac 2ab","61","","","","- C39 H31 N4 O P Pd S2 Sn -","- C39 H31 N4 O P Pd S2 Sn -","- C312 H248 N32 O8 P8 Pd8 S16 Sn8 -","8","1","","Wächtler, Erik; Gericke, Robert; Brendler, Erica; Gerke, Birgit; Langer, Thorsten; Pöttgen, Rainer; Zhechkov, Lyuben; Heine, Thomas; Wagler, Jörg","Group 10-group 14 metal complexes [E-TM](IV): the role of the group 14 site as an L, X and Z-type ligand.","Dalton transactions (Cambridge, England : 2003)","2016","45","36","14252","14264","10.1039/c6dt01621a","","","0.71073","MoKα","","0.0334","0.0237","","","0.0476","0.0502","","","","","","1.05","","","","has coordinates","187113","2020-10-21","18:00:00",""
"7040241","14.8803","0.0004","16.4815","0.0004","24.0587","0.0007","90","","90","","90","","5900.4","0.3","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C28 H16 N4 Ni2 S8 -","- C28 H16 N4 Ni2 S8 -","- C224 H128 N32 Ni16 S64 -","8","1","","Wächtler, Erik; Gericke, Robert; Brendler, Erica; Gerke, Birgit; Langer, Thorsten; Pöttgen, Rainer; Zhechkov, Lyuben; Heine, Thomas; Wagler, Jörg","Group 10-group 14 metal complexes [E-TM](IV): the role of the group 14 site as an L, X and Z-type ligand.","Dalton transactions (Cambridge, England : 2003)","2016","45","36","14252","14264","10.1039/c6dt01621a","","","0.71073","MoKα","","0.0604","0.0364","","","0.082","0.0883","","","","","","1.011","","","","has coordinates","187113","2020-10-21","18:00:00",""
"7040242","11.5645","0.0004","12.0423","0.0004","15.0296","0.0004","80.499","0.003","73.274","0.002","84.786","0.003","1974.93","0.11","150","2","150","2","","","","","","","","9","P -1","-P 1","2","","","","- C40 H34 Cl2 N5 O2 P Pd S2 Sn -","- C40 H34 Cl2 N5 O2 P Pd S2 Sn -","- C80 H68 Cl4 N10 O4 P2 Pd2 S4 Sn2 -","2","1","","Wächtler, Erik; Gericke, Robert; Brendler, Erica; Gerke, Birgit; Langer, Thorsten; Pöttgen, Rainer; Zhechkov, Lyuben; Heine, Thomas; Wagler, Jörg","Group 10-group 14 metal complexes [E-TM](IV): the role of the group 14 site as an L, X and Z-type ligand.","Dalton transactions (Cambridge, England : 2003)","2016","45","36","14252","14264","10.1039/c6dt01621a","","","0.71073","MoKα","","0.0289","0.0217","","","0.0482","0.0501","","","","","","1.022","","","","has coordinates","187113","2020-10-21","18:00:00",""
"7040243","8.271","0.0006","16.4657","0.0008","12.0613","0.0008","90","","109.724","0.005","90","","1546.23","0.18","150","2","150","2","","","","","","","","8","P 1 21/m 1","-P 2yb","11","","","","- C28 H41 Cl2 N2 P Pd S2 Sn -","- C28 H41 Cl2 N2 P Pd S2 Sn -","- C56 H82 Cl4 N4 P2 Pd2 S4 Sn2 -","2","0.5","","Wächtler, Erik; Gericke, Robert; Brendler, Erica; Gerke, Birgit; Langer, Thorsten; Pöttgen, Rainer; Zhechkov, Lyuben; Heine, Thomas; Wagler, Jörg","Group 10-group 14 metal complexes [E-TM](IV): the role of the group 14 site as an L, X and Z-type ligand.","Dalton transactions (Cambridge, England : 2003)","2016","45","36","14252","14264","10.1039/c6dt01621a","","","0.71073","MoKα","","0.0507","0.0303","","","0.0613","0.0665","","","","","","1.021","","","","has coordinates","187113","2020-10-21","18:00:00",""
"7040244","12.0878","0.0002","10.4438","0.0002","15.6612","0.0003","90","","90","","90","","1977.11","0.06","150","2","150","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C22 H16 N4 O2 Sn2 -","- C22 H16 N4 O2 Sn2 -","- C88 H64 N16 O8 Sn8 -","4","0.5","","Wächtler, Erik; Gericke, Robert; Brendler, Erica; Gerke, Birgit; Langer, Thorsten; Pöttgen, Rainer; Zhechkov, Lyuben; Heine, Thomas; Wagler, Jörg","Group 10-group 14 metal complexes [E-TM](IV): the role of the group 14 site as an L, X and Z-type ligand.","Dalton transactions (Cambridge, England : 2003)","2016","45","36","14252","14264","10.1039/c6dt01621a","","","0.71073","MoKα","","0.0364","0.0222","","","0.0544","0.0579","","","","","","1.042","","","","has coordinates","187113","2020-10-21","18:00:00",""
"7040245","9.3183","0.0002","23.7683","0.0005","10.2246","0.0003","90","","106.442","0.002","90","","2171.94","0.09","200","2","200","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C23 H20 N4 O3 Sn -","- C23 H20 N4 O3 Sn -","- C92 H80 N16 O12 Sn4 -","4","1","","Wächtler, Erik; Gericke, Robert; Brendler, Erica; Gerke, Birgit; Langer, Thorsten; Pöttgen, Rainer; Zhechkov, Lyuben; Heine, Thomas; Wagler, Jörg","Group 10-group 14 metal complexes [E-TM](IV): the role of the group 14 site as an L, X and Z-type ligand.","Dalton transactions (Cambridge, England : 2003)","2016","45","36","14252","14264","10.1039/c6dt01621a","","","0.71073","MoKα","","0.0312","0.0278","","","0.0702","0.0719","","","","","","1.149","","","","has coordinates,has disorder","187113","2020-10-21","18:00:00",""
"7040246","8.7609","0.0003","11.801","0.0004","15.1557","0.0006","96.445","0.003","93.501","0.003","107.876","0.003","1474.26","0.1","200","2","200","2","","","","","","","","8","P -1","-P 1","2","","","","- C28 H23 Cl2 N2 P Pt S2 Sn -","- C28 H23 Cl2 N2 P Pt S2 Sn -","- C56 H46 Cl4 N4 P2 Pt2 S4 Sn2 -","2","1","","Wächtler, Erik; Gericke, Robert; Brendler, Erica; Gerke, Birgit; Langer, Thorsten; Pöttgen, Rainer; Zhechkov, Lyuben; Heine, Thomas; Wagler, Jörg","Group 10-group 14 metal complexes [E-TM](IV): the role of the group 14 site as an L, X and Z-type ligand.","Dalton transactions (Cambridge, England : 2003)","2016","45","36","14252","14264","10.1039/c6dt01621a","","","0.71073","MoKα","","0.0294","0.0262","","","0.0646","0.0661","","","","","","1.101","","","","has coordinates","187113","2020-10-21","18:00:00",""
"7040247","11.7504","0.0006","11.9994","0.0006","12.0861","0.0006","60.36","0.004","81.827","0.004","75.635","0.004","1434.44","0.14","200","2","200","2","","","","","","","","8","P -1","-P 1","2","","","","- C28 H23 Cl2 Ge N2 P Pd S2 -","- C28 H23 Cl2 Ge N2 P Pd S2 -","- C56 H46 Cl4 Ge2 N4 P2 Pd2 S4 -","2","1","","Wächtler, Erik; Gericke, Robert; Brendler, Erica; Gerke, Birgit; Langer, Thorsten; Pöttgen, Rainer; Zhechkov, Lyuben; Heine, Thomas; Wagler, Jörg","Group 10-group 14 metal complexes [E-TM](IV): the role of the group 14 site as an L, X and Z-type ligand.","Dalton transactions (Cambridge, England : 2003)","2016","45","36","14252","14264","10.1039/c6dt01621a","","","0.71073","MoKα","","0.0261","0.0212","","","0.0504","0.0522","","","","","","1.043","","","","has coordinates","187113","2020-10-21","18:00:00",""
"7040248","7.8975","0.0003","17.3839","0.0006","12.3904","0.0005","90","","107.098","0.003","90","","1625.89","0.11","150","2","150","2","","","","","","","","8","C 1 m 1","C -2y","8","","","","- C32 H23 Cl2 N2 Ni P S4 Sn -","- C32 H23 Cl2 N2 Ni P S4 Sn -","- C64 H46 Cl4 N4 Ni2 P2 S8 Sn2 -","2","0.5","","Wächtler, Erik; Gericke, Robert; Brendler, Erica; Gerke, Birgit; Langer, Thorsten; Pöttgen, Rainer; Zhechkov, Lyuben; Heine, Thomas; Wagler, Jörg","Group 10-group 14 metal complexes [E-TM](IV): the role of the group 14 site as an L, X and Z-type ligand.","Dalton transactions (Cambridge, England : 2003)","2016","45","36","14252","14264","10.1039/c6dt01621a","","","0.71073","MoKα","","0.029","0.0271","","","0.0694","0.0705","","","","","","1.066","","","","has coordinates,has disorder","187113","2020-10-21","18:00:00",""
"7040249","16.4638","0.0004","22.8991","0.0005","17.3745","0.0006","90","","90","","90","","6550.3","0.3","150","2","150","2","","","","","","","","9","P b c a","-P 2ac 2ab","61","","","","- C61 H62 Cl4 N4 O4 P2 Pd2 S4 Sn2 -","- C61 H62 Cl4 N4 O4 P2 Pd2 S4 Sn2 -","- C244 H248 Cl16 N16 O16 P8 Pd8 S16 Sn8 -","4","0.5","","Wächtler, Erik; Gericke, Robert; Brendler, Erica; Gerke, Birgit; Langer, Thorsten; Pöttgen, Rainer; Zhechkov, Lyuben; Heine, Thomas; Wagler, Jörg","Group 10-group 14 metal complexes [E-TM](IV): the role of the group 14 site as an L, X and Z-type ligand.","Dalton transactions (Cambridge, England : 2003)","2016","45","36","14252","14264","10.1039/c6dt01621a","","","0.71073","MoKα","","0.0527","0.0344","","","0.0724","0.0779","","","","","","1.05","","","","has coordinates,has disorder","187113","2020-10-21","18:00:00",""
"7040250","11.8143","0.0003","11.8143","0.0003","24.1508","0.0008","90","","90","","90","","3370.91","0.16","150","2","150","2","","","","","","","","8","I -4","I -4","82","","","","- C48 H48 Cl8 N8 O2 Pd4 S8 Sn4 -","- C48 H48 Cl8 N8 O2 Pd4 S8 Sn4 -","- C96 H96 Cl16 N16 O4 Pd8 S16 Sn8 -","2","0.25","","Wächtler, Erik; Gericke, Robert; Brendler, Erica; Gerke, Birgit; Langer, Thorsten; Pöttgen, Rainer; Zhechkov, Lyuben; Heine, Thomas; Wagler, Jörg","Group 10-group 14 metal complexes [E-TM](IV): the role of the group 14 site as an L, X and Z-type ligand.","Dalton transactions (Cambridge, England : 2003)","2016","45","36","14252","14264","10.1039/c6dt01621a","","","0.71073","MoKα","","0.0196","0.0183","","","0.0394","0.04","","","","","","1.176","","","","has coordinates,has disorder","187113","2020-10-21","18:00:00",""
"7040251","11.8528","0.0006","11.8528","0.0006","25.589","0.0012","90","","90","","90","","3595","0.3","293","2","293","2","","","","","","","","6","P 43 21 2","P 4nw 2abw","96","","","","- C19 H22 Cl N O Ru -","- C19 H22 Cl N O Ru -","- C152 H176 Cl8 N8 O8 Ru8 -","8","1","","Jia, Wei-Guo; Zhang, Tai; Xie, Dong; Xu, Qiu-Tong; Ling, Shuo; Zhang, Qing","Half-sandwich cycloruthenated complexes from aryloxazolines: synthesis, structures, and catalytic activities.","Dalton transactions (Cambridge, England : 2003)","2016","45","36","14230","14237","10.1039/c6dt02734b","","","0.71073","MoKα","","0.0493","0.0323","","","0.0663","0.0743","","","","","","1.036","","","","has coordinates","187123","2020-10-21","18:00:00",""
"7040252","20.8082","0.0015","12.1972","0.0009","16.3314","0.0012","90","","113.01","0.001","90","","3815.2","0.5","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C19 H21 Cl2 N O Ru -","- C19 H21 Cl2 N O Ru -","- C152 H168 Cl16 N8 O8 Ru8 -","8","2","","Jia, Wei-Guo; Zhang, Tai; Xie, Dong; Xu, Qiu-Tong; Ling, Shuo; Zhang, Qing","Half-sandwich cycloruthenated complexes from aryloxazolines: synthesis, structures, and catalytic activities.","Dalton transactions (Cambridge, England : 2003)","2016","45","36","14230","14237","10.1039/c6dt02734b","","","0.71073","MoKα","","0.0471","0.0385","","","0.1008","0.1108","","","","","","1.04","","","","has coordinates","187123","2020-10-21","18:00:00",""
"7040253","21.0729","0.0012","12.2096","0.0007","16.3538","0.0009","90","","112.804","0.001","90","","3878.8","0.4","293.15","","293.15","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C19 H21 Br Cl N O Ru -","- C19 H21 Br Cl N O Ru -","- C152 H168 Br8 Cl8 N8 O8 Ru8 -","8","2","","Jia, Wei-Guo; Zhang, Tai; Xie, Dong; Xu, Qiu-Tong; Ling, Shuo; Zhang, Qing","Half-sandwich cycloruthenated complexes from aryloxazolines: synthesis, structures, and catalytic activities.","Dalton transactions (Cambridge, England : 2003)","2016","45","36","14230","14237","10.1039/c6dt02734b","","","0.71073","MoKα","","0.0559","0.0334","","","0.0747","0.0835","","","","","","1.017","","","","has coordinates,has disorder","187123","2020-10-21","18:00:00",""
"7040254","11.8017","0.0003","12.0237","0.0002","17.0165","0.0004","90","","106.109","0.002","90","","2319.83","0.09","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C27 H20 Au N5 S -","- C27 H20 Au N5 S -","- C108 H80 Au4 N20 S4 -","4","1","","Visbal, Renso; Fernández-Moreira, Vanesa; Marzo, Isabel; Laguna, Antonio; Gimeno, M Concepción","Cytotoxicity and biodistribution studies of luminescent Au(i) and Ag(i) N-heterocyclic carbenes. Searching for new biological targets.","Dalton transactions (Cambridge, England : 2003)","2016","45","38","15026","15033","10.1039/c6dt02878k","","","0.71073","MoKα","","0.0263","0.0223","","","0.0543","0.0562","","","","","","1.049","","","","has coordinates","187060","2020-10-21","18:00:00",""
"7040255","13.174","0.005","28.762","0.005","13.484","0.005","90","0.005","105.06","0.005","90","0.005","4934","3","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C36 H54 Cl2 Cu3 N18 O10 -","- C36 H54 Cl2 Cu3 N18 O10 -","- C144 H216 Cl8 Cu12 N72 O40 -","4","1","","Szorcsik, Attila; Matyuska, Ferenc; Bényei, Attila; Nagy, Nóra V; Szilágyi, Róbert K; Gajda, Tamás","A novel 1,3,5-triaminocyclohexane-based tripodal ligand forms a unique tetra(pyrazolate)-bridged tricopper(ii) core: solution equilibrium, structure and catecholase activity.","Dalton transactions (Cambridge, England : 2003)","2016","45","38","14998","15012","10.1039/c6dt01228k","","","0.71073","MoKα","","0.07","0.0691","","","","0.2087","","","","","","1.031","","","","has coordinates","187063","2020-10-21","18:00:00",""
"7040256","16.6797","0.0006","8.9136","0.0003","9.1213","0.0003","90","","98.956","0.002","90","","1339.59","0.08","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","5","5","","- C8 H5 I2 N7 O4 -","- C8 H5 I2 N7 O4 -","- C32 H20 I8 N28 O16 -","4","1","","Chand, Deepak; He, Chunlin; Mitchell, Lauren A.; Parrish, Damon A.; Shreeve, Jean'ne M.","Electrophilic iodination: a gateway to high iodine compounds and energetic materials.","Dalton transactions (Cambridge, England : 2003)","2016","45","35","13827","13833","10.1039/c6dt02438f","","","1.54178","CuKα","","0.0536","0.0322","","","0.0718","0.0797","","","","","","1.024","","","","has coordinates","186383","2020-10-21","18:00:00",""
"7040257","7.8304","0.0007","9.3182","0.0008","12.2176","0.0011","102.459","0.003","104.03","0.003","100.776","0.003","817.12","0.13","296","2","296","2","","","","","","","","4","P -1","-P 1","2","14","14","","- C11 H10 N6 O11 -","- C11 H10 N6 O11 -","- C22 H20 N12 O22 -","2","1","","Chand, Deepak; He, Chunlin; Mitchell, Lauren A.; Parrish, Damon A.; Shreeve, Jean'ne M.","Electrophilic iodination: a gateway to high iodine compounds and energetic materials.","Dalton transactions (Cambridge, England : 2003)","2016","45","35","13827","13833","10.1039/c6dt02438f","","","0.71073","MoKα","","0.0536","0.0381","","","0.1067","0.1197","","","","","","1.069","","","","has coordinates,has disorder","186383","2020-10-21","18:00:00",""
"7040258","9.0076","0.0006","16.6072","0.0012","18.0267","0.0011","90","","90","","90","","2696.6","0.3","114","2","114","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C16 H24 F12 Mn N2 O10 -","- C16 H24 F12 Mn N2 O10 -","- C64 H96 F48 Mn4 N8 O40 -","4","0.5","","Naeem, Rabia; Ali Ehsan, Muhammad; Yahya, Rosiyah; Sohail, Manzar; Khaledi, Hamid; Mazhar, Muhammad","Fabrication of pristine Mn2O3 and Ag-Mn2O3 composite thin films by AACVD for photoelectrochemical water splitting.","Dalton transactions (Cambridge, England : 2003)","2016","45","38","14928","14939","10.1039/c6dt02656g","","","0.71073","MoKα","","0.0538","0.0458","","","0.1153","0.1211","","","","","","1.108","","","","has coordinates,has disorder","187078","2020-10-21","18:00:00",""
"7040259","14.4586","0.0006","19.1802","0.0007","24.5632","0.001","99.448","0.002","99.315","0.002","106.299","0.002","6291.9","0.4","149.99","","149.99","","","","","","","","","5","P -1","-P 1","2","","","","- C138 H131 Ag3 B3 N36 -","- C138 H131 Ag3 B3 N36 -","- C276 H262 Ag6 B6 N72 -","2","1","","Nair, Ashwin G.; McBurney, Roy T.; Walker, D. Barney; Page, Michael J.; Gatus, Mark R. D.; Bhadbhade, Mohan; Messerle, Barbara A.","Ruthenium(ii) complexes of hemilabile pincer ligands: synthesis and catalysing the transfer hydrogenation of ketones.","Dalton transactions (Cambridge, England : 2003)","2016","45","36","14335","14342","10.1039/c6dt02459a","","","0.71073","MoKα","","0.0916","0.0469","","","0.0963","0.1165","","","","","","0.999","","","","has coordinates","187114","2020-10-21","18:00:00",""
"7040260","9.6717","0.0008","15.4965","0.0013","19.8638","0.0018","90","","91.611","0.005","90","","2976","0.4","150","2","150.06","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C35 H32 B N6 Ru0.5 -","- C35 H32 B N6 Ru0.5 -","- C140 H128 B4 N24 Ru2 -","4","1","","Nair, Ashwin G.; McBurney, Roy T.; Walker, D. Barney; Page, Michael J.; Gatus, Mark R. D.; Bhadbhade, Mohan; Messerle, Barbara A.","Ruthenium(ii) complexes of hemilabile pincer ligands: synthesis and catalysing the transfer hydrogenation of ketones.","Dalton transactions (Cambridge, England : 2003)","2016","45","36","14335","14342","10.1039/c6dt02459a","","","0.71073","MoKα","","0.1378","0.0553","","","0.1068","0.1332","","","","","","0.995","","","","has coordinates","187114","2020-10-21","18:00:00",""
"7040261","37.968","0.002","11.5676","0.0007","28.576","0.0018","90","","92.123","0.003","90","","12541.9","1.3","150","2","150.01","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C72 H63 B N6 O P2 Ru -","- C72 H63 B N6 O P2 Ru -","- C576 H504 B8 N48 O8 P16 Ru8 -","8","2","","Nair, Ashwin G.; McBurney, Roy T.; Walker, D. Barney; Page, Michael J.; Gatus, Mark R. D.; Bhadbhade, Mohan; Messerle, Barbara A.","Ruthenium(ii) complexes of hemilabile pincer ligands: synthesis and catalysing the transfer hydrogenation of ketones.","Dalton transactions (Cambridge, England : 2003)","2016","45","36","14335","14342","10.1039/c6dt02459a","","","0.71073","MoKα","","0.1949","0.0676","","","0.1433","0.1723","","","","","","0.881","","","","has coordinates,has disorder","187114","2020-10-21","18:00:00",""
"7040262","16.8274","0.0012","18.3619","0.0015","24.387","0.002","74.808","0.004","89.916","0.004","81.797","0.004","7192.3","1","150.01","","150.01","","","","","","","","","7","P -1","-P 1","2","","","","- C166.5 H162 B4 Cl4 N24 O4 Ru4 -","- C166.5 H162 B4 Cl4 N24 O4 Ru4 -","- C333 H324 B8 Cl8 N48 O8 Ru8 -","2","1","","Nair, Ashwin G.; McBurney, Roy T.; Walker, D. Barney; Page, Michael J.; Gatus, Mark R. D.; Bhadbhade, Mohan; Messerle, Barbara A.","Ruthenium(ii) complexes of hemilabile pincer ligands: synthesis and catalysing the transfer hydrogenation of ketones.","Dalton transactions (Cambridge, England : 2003)","2016","45","36","14335","14342","10.1039/c6dt02459a","","","0.71073","MoKα","","0.1364","0.0889","","","0.2086","0.2371","","","","","","1.067","","","","has coordinates","187114","2020-10-21","18:00:00",""
"7040263","11.3903","0.0004","11.8757","0.0004","23.6462","0.0009","90","","101.366","0.002","90","","3135.84","0.19","150.04","","150.04","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C21 H30 B5 Cl N6 O10 Ru -","- C21 H30 B5 Cl N6 O10 Ru -","- C84 H120 B20 Cl4 N24 O40 Ru4 -","4","1","","Nair, Ashwin G.; McBurney, Roy T.; Walker, D. Barney; Page, Michael J.; Gatus, Mark R. D.; Bhadbhade, Mohan; Messerle, Barbara A.","Ruthenium(ii) complexes of hemilabile pincer ligands: synthesis and catalysing the transfer hydrogenation of ketones.","Dalton transactions (Cambridge, England : 2003)","2016","45","36","14335","14342","10.1039/c6dt02459a","","","0.71073","MoKα","","0.0431","0.0358","","","0.1061","0.1109","","","","","","1.012","","","","has coordinates","187114","2020-10-21","18:00:00",""
"7040264","8.5977","0.0003","17.9211","0.0006","19.1642","0.0007","90","","90","","90","","2952.82","0.18","150","2","150.02","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C35 H33 B N6 -","- C35 H33 B N6 -","- C140 H132 B4 N24 -","4","1","","Nair, Ashwin G.; McBurney, Roy T.; Walker, D. Barney; Page, Michael J.; Gatus, Mark R. D.; Bhadbhade, Mohan; Messerle, Barbara A.","Ruthenium(ii) complexes of hemilabile pincer ligands: synthesis and catalysing the transfer hydrogenation of ketones.","Dalton transactions (Cambridge, England : 2003)","2016","45","36","14335","14342","10.1039/c6dt02459a","","","0.71073","MoKα","","0.0484","0.0422","","","0.1004","0.1049","","","","","","1.043","","","","has coordinates","187114","2020-10-21","18:00:00",""
"7040265","11.7176","0.0008","12.3793","0.0008","13.472","0.0009","104.215","0.003","96.743","0.003","106.479","0.003","1779.4","0.2","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","dicarbonyl-(8,12,13,17-tetraethyl-21,24-dihydro-7,18-dimethyl-21-carbabenzo(b)porphyrinato)-rhodium(i) chloroform solvate","","- C37 H36 N3 O2 Rh -","- C37 H36 N3 O2 Rh -","- C74 H72 N6 O4 Rh2 -","2","1","","Adiraju, Venkata A. K.; Ferrence, Gregory M.; Lash, Timothy D.","Rhodium(i), rhodium(iii) and iridium(iii) carbaporphyrins.","Dalton transactions (Cambridge, England : 2003)","2016","45","35","13691","13694","10.1039/c6dt03093a","","x-ray","0.71073","MoKα","","0.0243","0.0211","","","","0.0552","","","","","","1.06","","","","has coordinates","186373","2020-10-21","18:00:00",""
"7040266","26.5254","0.0013","15.784","0.0008","23.0842","0.0012","90","","123.49","0.003","90","","8060.3","0.8","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","(8,12,13,17-tetraethyl-7,18-dimethyl-21-carbabenzo(b)porphyrinato)- dipyridyl-rhodium(iii) chloroform solvate","","- C46 H45 Cl3 N5 Rh -","- C46 H45 Cl3 N5 Rh -","- C368 H360 Cl24 N40 Rh8 -","8","1","","Adiraju, Venkata A. K.; Ferrence, Gregory M.; Lash, Timothy D.","Rhodium(i), rhodium(iii) and iridium(iii) carbaporphyrins.","Dalton transactions (Cambridge, England : 2003)","2016","45","35","13691","13694","10.1039/c6dt03093a","","x-ray","0.71073","MoKα","","0.0753","0.0411","","","","0.0947","","","","","","1.024","","","","has coordinates","186373","2020-10-21","18:00:00",""
"7040267","26.5093","0.001","15.8108","0.0006","23.0204","0.0009","90","","123.126","0.002","90","","8080.4","0.6","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","(8,12,13,17-tetraethyl-7,18-dimethyl-21-carbabenzo(b)porphyrinato)-dipyridyl-iridium(iii) chloroform solvate","","- C45 H44 Ir N5 -","- C45 H44 Ir N5 -","- C360 H352 Ir8 N40 -","8","1","","Adiraju, Venkata A. K.; Ferrence, Gregory M.; Lash, Timothy D.","Rhodium(i), rhodium(iii) and iridium(iii) carbaporphyrins.","Dalton transactions (Cambridge, England : 2003)","2016","45","35","13691","13694","10.1039/c6dt03093a","","x-ray","0.71073","MoKα","","0.0688","0.0507","","","","0.1478","","","","","","1.09","","","","has coordinates","186373","2020-10-21","18:00:00",""
"7040268","16.356","0.002","9.0081","0.001","17.826","0.002","90","","95.41","0.007","90","","2614.7","0.5","296.15","","296.15","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","SCO221","","- C18 H21 B2 F8 Fe N7 S3 -","- C18 H21 B2 F8 Fe N7 S3 -","- C72 H84 B8 F32 Fe4 N28 S12 -","4","1","","Struch, N.; Wagner, N.; Schnakenburg, G.; Weisbarth, R.; Klos, S.; Beck, J.; Lützen, A","Thiazolylimines as novel ligand-systems for spin-crossover centred near room temperature.","Dalton transactions (Cambridge, England : 2003)","2016","45","36","14023","14029","10.1039/c6dt02077a","","x-ray","0.71073","MoKα","","0.0821","0.0606","","","0.1473","0.1701","","","","","","1.082","","","","has coordinates","187124","2020-10-21","18:00:00",""
"7040269","16.0951","0.0005","8.8292","0.0002","17.477","0.0005","90","","93.211","0.002","90","","2479.7","0.12","100","","100","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","SCO221","","- C18 H21 B2 F8 Fe N7 S3 -","- C18 H21 B2 F8 Fe N7 S3 -","- C72 H84 B8 F32 Fe4 N28 S12 -","4","1","","Struch, N.; Wagner, N.; Schnakenburg, G.; Weisbarth, R.; Klos, S.; Beck, J.; Lützen, A","Thiazolylimines as novel ligand-systems for spin-crossover centred near room temperature.","Dalton transactions (Cambridge, England : 2003)","2016","45","36","14023","14029","10.1039/c6dt02077a","","x-ray","0.71073","MoKα","","0.0282","0.0232","","","0.0542","0.0573","","","","","","1.058","","","","has coordinates","187124","2020-10-21","18:00:00",""
"7040270","19.6249","0.0005","10.165","0.0003","14.9187","0.0004","90","","90","","90","","2976.09","0.14","100","2","100","","","","","","","","","7","P c a 21","P 2c -2ac","29","","","","- C20 H21 F6 Fe N7 O6 S5 -","- C20 H21 F6 Fe N7 O6 S5 -","- C80 H84 F24 Fe4 N28 O24 S20 -","4","1","","Struch, N.; Wagner, N.; Schnakenburg, G.; Weisbarth, R.; Klos, S.; Beck, J.; Lützen, A","Thiazolylimines as novel ligand-systems for spin-crossover centred near room temperature.","Dalton transactions (Cambridge, England : 2003)","2016","45","36","14023","14029","10.1039/c6dt02077a","","x-ray","1.54178","CuKα","","0.0542","0.0518","","","0.1393","0.1436","","","","","","1.053","","","","has coordinates","187124","2020-10-21","18:00:00",""
"7040271","10.0709","0.0009","10.0709","0.0009","49.888","0.004","90","","90","","120","","4381.9","0.7","100","2","100","","","","","","","","","7","P 65","P 65","170","","1[SbF6]2","","- C18 H21 F12 Fe N7 S3 Sb2 -","- C18 H21 F12 Fe N7 S3 Sb2 -","- C108 H126 F72 Fe6 N42 S18 Sb12 -","6","1","","Struch, N.; Wagner, N.; Schnakenburg, G.; Weisbarth, R.; Klos, S.; Beck, J.; Lützen, A","Thiazolylimines as novel ligand-systems for spin-crossover centred near room temperature.","Dalton transactions (Cambridge, England : 2003)","2016","45","36","14023","14029","10.1039/c6dt02077a","","x-ray","0.71073","MoKα","","0.017","0.0168","","","0.0381","0.0382","","","","","","1.192","","","","has coordinates","187124","2020-10-21","18:00:00",""
"7040272","10.4024","0.0004","14.0954","0.0006","7.7684","0.0003","90","","92.53","0.002","90","","1137.94","0.08","133","2","133","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C11 H12 O2 S2 -","- C11 H12 O2 S2 -","- C44 H48 O8 S8 -","4","1","","Hildebrandt, Jana; Häfner, Norman; Görls, Helmar; Kritsch, Daniel; Ferraro, Giarita; Dürst, Matthias; Runnebaum, Ingo B.; Merlino, Antonello; Weigand, Wolfgang","Platinum(ii) O,S complexes as potential metallodrugs against Cisplatin resistance.","Dalton transactions (Cambridge, England : 2003)","2016","45","47","18876","18891","10.1039/c6dt01388k","","","0.71073","MoKα","","0.0599","0.0493","","","0.1091","0.1145","","","","","","1.166","","","","has coordinates","190201","2020-10-21","18:00:00",""
"7040273","3.9126","0.0001","11.6243","0.0005","22.2479","0.0009","98.186","0.002","90.339","0.002","94.31","0.002","998.58","0.06","133","2","133","2","","","","","","","","4","P -1","-P 1","2","","","","- C10 H10 O2 S2 -","- C10 H10 O2 S2 -","- C40 H40 O8 S8 -","4","2","","Hildebrandt, Jana; Häfner, Norman; Görls, Helmar; Kritsch, Daniel; Ferraro, Giarita; Dürst, Matthias; Runnebaum, Ingo B.; Merlino, Antonello; Weigand, Wolfgang","Platinum(ii) O,S complexes as potential metallodrugs against Cisplatin resistance.","Dalton transactions (Cambridge, England : 2003)","2016","45","47","18876","18891","10.1039/c6dt01388k","","","0.71073","MoKα","","0.0999","0.0737","","","0.1367","0.1506","","","","","","1.169","","","","has coordinates","190201","2020-10-21","18:00:00",""
"7040274","10.9758","0.0002","19.2769","0.0004","8.0124","0.0002","90","","96.398","0.001","90","","1684.7","0.06","133","2","133","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C13 H17 Cl O3 Pt S3 -","- C13 H17 Cl O3 Pt S3 -","- C52 H68 Cl4 O12 Pt4 S12 -","4","1","","Hildebrandt, Jana; Häfner, Norman; Görls, Helmar; Kritsch, Daniel; Ferraro, Giarita; Dürst, Matthias; Runnebaum, Ingo B.; Merlino, Antonello; Weigand, Wolfgang","Platinum(ii) O,S complexes as potential metallodrugs against Cisplatin resistance.","Dalton transactions (Cambridge, England : 2003)","2016","45","47","18876","18891","10.1039/c6dt01388k","","","0.71073","MoKα","","0.0174","0.0162","","","0.0366","0.0371","","","","","","1.098","","","","has coordinates","190201","2020-10-21","18:00:00",""
"7040275","34.348","0.0005","34.348","0.0005","7.275","0.0001","90","","90","","120","","7433.04","0.18","293","2","293","2","","","","","","","","6","P 3 c 1","P 3 -2""c","158","","","","- C13 H17 Cl O3 Pt S3 -","- C13 H17 Cl O3 Pt S3 -","- C234 H306 Cl18 O54 Pt18 S54 -","18","3","","Hildebrandt, Jana; Häfner, Norman; Görls, Helmar; Kritsch, Daniel; Ferraro, Giarita; Dürst, Matthias; Runnebaum, Ingo B.; Merlino, Antonello; Weigand, Wolfgang","Platinum(ii) O,S complexes as potential metallodrugs against Cisplatin resistance.","Dalton transactions (Cambridge, England : 2003)","2016","45","47","18876","18891","10.1039/c6dt01388k","","","0.71073","MoKα","","0.0714","0.0548","","","0.1284","0.1397","","","","","","1.064","","","","has coordinates","190201","2020-10-21","18:00:00",""
"7040276","7.2182","0.0003","10.6518","0.0004","22.3309","0.0007","93.262","0.002","97.228","0.002","100.948","0.002","1666.54","0.11","133","2","133","2","","","","","","","","6","P -1","-P 1","2","","","","- C13 H17 Cl O3 Pt S3 -","- C13 H17 Cl O3 Pt S3 -","- C52 H68 Cl4 O12 Pt4 S12 -","4","2","","Hildebrandt, Jana; Häfner, Norman; Görls, Helmar; Kritsch, Daniel; Ferraro, Giarita; Dürst, Matthias; Runnebaum, Ingo B.; Merlino, Antonello; Weigand, Wolfgang","Platinum(ii) O,S complexes as potential metallodrugs against Cisplatin resistance.","Dalton transactions (Cambridge, England : 2003)","2016","45","47","18876","18891","10.1039/c6dt01388k","","","0.71073","MoKα","","0.0388","0.0296","","","0.0653","0.0695","","","","","","1.041","","","","has coordinates","190201","2020-10-21","18:00:00",""
"7040277","18.615","0.0006","7.3343","0.0002","27.2528","0.0008","90","","90","","90","","3720.77","0.19","133","2","133","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C14 H19 Cl O3 Pt S3 -","- C14 H19 Cl O3 Pt S3 -","- C112 H152 Cl8 O24 Pt8 S24 -","8","1","","Hildebrandt, Jana; Häfner, Norman; Görls, Helmar; Kritsch, Daniel; Ferraro, Giarita; Dürst, Matthias; Runnebaum, Ingo B.; Merlino, Antonello; Weigand, Wolfgang","Platinum(ii) O,S complexes as potential metallodrugs against Cisplatin resistance.","Dalton transactions (Cambridge, England : 2003)","2016","45","47","18876","18891","10.1039/c6dt01388k","","","0.71073","MoKα","","0.05","0.0378","","","0.079","0.0825","","","","","","1.157","","","","has coordinates","190201","2020-10-21","18:00:00",""
"7040278","22.8319","0.0007","7.1574","0.0002","43.9897","0.0013","90","","96.662","0.001","90","","7140.1","0.4","133","2","133","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C14 H19 Cl O3 Pt S3 -","- C14 H19 Cl O3 Pt S3 -","- C224 H304 Cl16 O48 Pt16 S48 -","16","2","","Hildebrandt, Jana; Häfner, Norman; Görls, Helmar; Kritsch, Daniel; Ferraro, Giarita; Dürst, Matthias; Runnebaum, Ingo B.; Merlino, Antonello; Weigand, Wolfgang","Platinum(ii) O,S complexes as potential metallodrugs against Cisplatin resistance.","Dalton transactions (Cambridge, England : 2003)","2016","45","47","18876","18891","10.1039/c6dt01388k","","","0.71073","MoKα","","0.0498","0.0426","","","0.0881","0.0918","","","","","","1.073","","","","has coordinates","190201","2020-10-21","18:00:00",""
"7040279","12.8077","0.0004","16.5312","0.0005","7.3048","0.0002","90","","92.12","0.002","90","","1545.56","0.08","133","2","133","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C12 H15 Cl O3 Pt S3 -","- C12 H15 Cl O3 Pt S3 -","- C48 H60 Cl4 O12 Pt4 S12 -","4","1","","Hildebrandt, Jana; Häfner, Norman; Görls, Helmar; Kritsch, Daniel; Ferraro, Giarita; Dürst, Matthias; Runnebaum, Ingo B.; Merlino, Antonello; Weigand, Wolfgang","Platinum(ii) O,S complexes as potential metallodrugs against Cisplatin resistance.","Dalton transactions (Cambridge, England : 2003)","2016","45","47","18876","18891","10.1039/c6dt01388k","","","0.71073","MoKα","","0.0405","0.0281","","","0.0487","0.0512","","","","","","1.022","","","","has coordinates","190201","2020-10-21","18:00:00",""
"7040280","12.8292","0.0003","17.2475","0.0005","7.3364","0.0002","90","","92.953","0.002","90","","1621.18","0.07","133","2","133","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C13 H17 Cl O3 Pt S3 -","- C13 H17 Cl O3 Pt S3 -","- C52 H68 Cl4 O12 Pt4 S12 -","4","1","","Hildebrandt, Jana; Häfner, Norman; Görls, Helmar; Kritsch, Daniel; Ferraro, Giarita; Dürst, Matthias; Runnebaum, Ingo B.; Merlino, Antonello; Weigand, Wolfgang","Platinum(ii) O,S complexes as potential metallodrugs against Cisplatin resistance.","Dalton transactions (Cambridge, England : 2003)","2016","45","47","18876","18891","10.1039/c6dt01388k","","","0.71073","MoKα","","0.0289","0.0248","","","0.0544","0.0566","","","","","","1.076","","","","has coordinates,has disorder","190201","2020-10-21","18:00:00",""
"7040281","5.6743","0.0003","10.8876","0.0005","28.115","0.0014","90","","94.89","0.001","90","","1730.61","0.15","133","2","133","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C13 H17 Cl O3 Pt S3 -","- C13 H17 Cl O3 Pt S3 -","- C52 H68 Cl4 O12 Pt4 S12 -","4","1","","Hildebrandt, Jana; Häfner, Norman; Görls, Helmar; Kritsch, Daniel; Ferraro, Giarita; Dürst, Matthias; Runnebaum, Ingo B.; Merlino, Antonello; Weigand, Wolfgang","Platinum(ii) O,S complexes as potential metallodrugs against Cisplatin resistance.","Dalton transactions (Cambridge, England : 2003)","2016","45","47","18876","18891","10.1039/c6dt01388k","","","0.71073","MoKα","","0.0346","0.0313","","","0.0676","0.069","","","","","","1.139","","","","has coordinates","190201","2020-10-21","18:00:00",""
"7040282","13.849","0.003","14.724","0.003","22.987","0.005","88.25","0.03","74.38","0.03","87.86","0.03","4510.1","1.8","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C74 H50 Cd2 N4 O9 -","- C74 H50 Cd2 N4 O9 -","- C148 H100 Cd4 N8 O18 -","2","1","","Zhao, Xiaoyu; Li, Yang; Chang, Ze; Chen, Long; Bu, Xian-He","A four-fold interpenetrated metal-organic framework as a fluorescent sensor for volatile organic compounds.","Dalton transactions (Cambridge, England : 2003)","2016","45","38","14888","14892","10.1039/c6dt02169g","","","0.71073","MoKα","","0.1471","0.0721","","","0.1708","0.1982","","","","","","0.903","","","","has coordinates,has disorder","187064","2020-10-21","18:00:00",""
"7040283","14.6311","0.0005","10.8642","0.0004","13.8535","0.0004","90","","91.44","0.002","90","","2201.39","0.13","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C16 H25 Fe2 N3 O5 S2 -","- C16 H25 Fe2 N3 O5 S2 -","- C64 H100 Fe8 N12 O20 S8 -","4","1","","Esmieu, C.; Berggren, G.","Characterization of a monocyanide model of FeFe hydrogenases - highlighting the importance of the bridgehead nitrogen for catalysis.","Dalton transactions (Cambridge, England : 2003)","2016","45","48","19242","19248","10.1039/c6dt02061e","","","0.71073","MoKα","","0.0703","0.0488","","","0.1143","0.128","","","","","","1.053","","","","has coordinates,has disorder","190131","2020-10-21","18:00:00",""
"7040284","42.8834","0.0004","42.8834","0.0004","83.8832","0.001","90","","90","","90","","154260","3","100","2","100","2","","","","","","","","7","I 41/a","-I 4ad","88","","","","- C310 H596 B12 Cl24 Fe60 N108 O174 -","- C300 H362 B12 Cl18 Fe60 N108 O177.86 -","- C2400 H2896 B96 Cl144 Fe480 N864 O1422.88 -","8","","","Jiménez, J-R; Mondal, A.; Chamoreau, L.-M.; Fertey, P.; Tuna, F.; Julve, M.; Bousseksou, A.; Lescouëzec, R; Lisnard, L.","An {Fe60} tetrahedral cage: building nanoscopic molecular assemblies through cyanometallate and alkoxo linkers.","Dalton transactions (Cambridge, England : 2003)","2016","45","44","17610","17615","10.1039/c6dt03151j","","","0.6683","synchrotron","","0.1327","0.0947","","","0.28","0.3249","","","","","","1.042","","","","has coordinates,has disorder","190184","2020-10-21","18:00:00",""
"7040285","18.9491","0.0003","41.342","0.0007","13.8422","0.0002","90","","128.209","0.001","90","","8520.7","0.3","180","2","180","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C90 H108 Fe2 N8 O6.5 -","- C84 H96 Fe2 N8 O5 -","- C336 H384 Fe8 N32 O20 -","4","0.5","","Hardy, E. E.; Eddy, M. A.; Maynard, B. A.; Gorden, A. E. V.","Solid state π-π stacking and higher order dimensional crystal packing, reactivity, and electrochemical behaviour of salphenazine actinide and transition metal complexes.","Dalton transactions (Cambridge, England : 2003)","2016","45","36","14243","14251","10.1039/c6dt02389d","","","0.71073","MoKα","","0.0683","0.0457","","","0.1374","0.1465","","","","","","1.122","","","","has coordinates","187129","2020-10-21","18:00:00",""
"7040286","9.3102","0.0005","15.1537","0.0007","16.4769","0.0008","105.875","0.002","100.257","0.002","91.511","0.002","2193.3","0.19","180.45","","180.45","","","","","","","","","5","P -1","-P 1","2","","","","- C43 H52 N4 O3 Zn -","- C43 H52 N4 O3 Zn -","- C86 H104 N8 O6 Zn2 -","2","1","","Hardy, E. E.; Eddy, M. A.; Maynard, B. A.; Gorden, A. E. V.","Solid state π-π stacking and higher order dimensional crystal packing, reactivity, and electrochemical behaviour of salphenazine actinide and transition metal complexes.","Dalton transactions (Cambridge, England : 2003)","2016","45","36","14243","14251","10.1039/c6dt02389d","","","0.71073","MoKα","","0.0614","0.0467","","","0.1086","0.1186","","","","","","1.0636","","","","has coordinates","187129","2020-10-21","18:00:00",""
"7040287","6.2424","0.0002","22.8992","0.0007","27.3834","0.0008","90","","94.704","0.001","90","","3901.2","0.2","180.45","","180.45","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C44 H50 N4 O3 -","- C44 H50 N4 O3 -","- C176 H200 N16 O12 -","4","1","","Hardy, E. E.; Eddy, M. A.; Maynard, B. A.; Gorden, A. E. V.","Solid state π-π stacking and higher order dimensional crystal packing, reactivity, and electrochemical behaviour of salphenazine actinide and transition metal complexes.","Dalton transactions (Cambridge, England : 2003)","2016","45","36","14243","14251","10.1039/c6dt02389d","","","0.71073","MoKα","","0.0698","0.0453","","","0.1081","0.1212","","","","","","1.0674","","","","has coordinates,has disorder","278046","2022-09-21","15:45:41",""
"7040288","10.5213","0.0004","12.7581","0.0005","16.9448","0.0006","77.715","0.001","74.447","0.001","79.226","0.001","2120.59","0.14","296","","296.15","","","","","","","","","5","P -1","-P 1","2","","","","- C42 H48 N4 O3 V -","- C42 H48 N4 O3 V -","- C84 H96 N8 O6 V2 -","2","1","","Hardy, E. E.; Eddy, M. A.; Maynard, B. A.; Gorden, A. E. V.","Solid state π-π stacking and higher order dimensional crystal packing, reactivity, and electrochemical behaviour of salphenazine actinide and transition metal complexes.","Dalton transactions (Cambridge, England : 2003)","2016","45","36","14243","14251","10.1039/c6dt02389d","","","0.71073","MoKα","","0.0657","0.0492","","","0.1321","0.1405","","","","","","1.0591","","","","has coordinates","187129","2020-10-21","18:00:00",""
"7040289","11.8779","0.0002","15.2518","0.0003","38.9205","0.0008","90","","90","","90","","7050.8","0.2","150","2","150","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","Compound 6","","- C35 H56 B2 Mg N4 -","- C35 H56 B2 Mg N4 -","- C280 H448 B16 Mg8 N32 -","8","1","","Bellham, Peter; Anker, Mathew D.; Hill, Michael S.; Kociok-Köhn, Gabriele; Mahon, Mary F.","The significance of secondary interactions during alkaline earth-promoted dehydrogenation of dialkylamine-boranes.","Dalton transactions (Cambridge, England : 2003)","2016","45","35","13969","13978","10.1039/c6dt03185d","","","0.71073","MoKα","","0.131","0.0662","","","0.1315","0.157","","","","","","1.015","","","","has coordinates","186392","2020-10-21","18:00:00",""
"7040290","10.3026","0.0005","31.9329","0.0016","11.982","0.0005","90","","110.693","0.003","90","","3687.7","0.3","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Compound 7","","- C37 H56 B Ca N3 O -","- C37 H56 B Ca N3 O -","- C148 H224 B4 Ca4 N12 O4 -","4","1","","Bellham, Peter; Anker, Mathew D.; Hill, Michael S.; Kociok-Köhn, Gabriele; Mahon, Mary F.","The significance of secondary interactions during alkaline earth-promoted dehydrogenation of dialkylamine-boranes.","Dalton transactions (Cambridge, England : 2003)","2016","45","35","13969","13978","10.1039/c6dt03185d","","","0.71073","MoKα","","0.0994","0.0529","","","0.102","0.1169","","","","","","1.062","","","","has coordinates","186392","2020-10-21","18:00:00",""
"7040291","12.3115","0.0002","18.1303","0.0003","18.409","0.0003","90","","100.901","0.001","90","","4034.95","0.12","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Compound 9","","- C37 H66 B2 Ca N4 O -","- C37 H66 B2 Ca N4 O -","- C148 H264 B8 Ca4 N16 O4 -","4","1","","Bellham, Peter; Anker, Mathew D.; Hill, Michael S.; Kociok-Köhn, Gabriele; Mahon, Mary F.","The significance of secondary interactions during alkaline earth-promoted dehydrogenation of dialkylamine-boranes.","Dalton transactions (Cambridge, England : 2003)","2016","45","35","13969","13978","10.1039/c6dt03185d","","","0.71073","MoKα","","0.0562","0.0396","","","0.103","0.1145","","","","","","1.036","","","","has coordinates,has disorder","186392","2020-10-21","18:00:00",""
"7040292","18.6055","0.0004","19.4729","0.0004","22.3867","0.0005","90","","90","","90","","8110.8","0.3","173","2","173.15","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","Compound 13","","- C43 H68 B Mg N3 -","- C43 H68 B Mg N3 -","- C344 H544 B8 Mg8 N24 -","8","1","","Bellham, Peter; Anker, Mathew D.; Hill, Michael S.; Kociok-Köhn, Gabriele; Mahon, Mary F.","The significance of secondary interactions during alkaline earth-promoted dehydrogenation of dialkylamine-boranes.","Dalton transactions (Cambridge, England : 2003)","2016","45","35","13969","13978","10.1039/c6dt03185d","","","0.71073","MoKα","","0.0714","0.0433","","","0.0989","0.1135","","","","","","1.017","","","","has coordinates,has disorder","186392","2020-10-21","18:00:00",""
"7040293","23.8248","0.0003","24.7952","0.0003","28.7437","0.0003","90","","90.351","0.001","90","","16979.8","0.3","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C260 H450 Fe10 N40 O40 -","- C260 H450 Fe10 N40 O40 -","- C520 H900 Fe20 N80 O80 -","2","0.5","","Gajewska, Małgorzata J; Bieńko, Alina; Herchel, Radovan; Haukka, Matti; Jerzykiewicz, Maria; Ożarowski, Andrzej; Drabent, Krzysztof; Hung, Chen-Hsiung","Iron(iii) bis(pyrazol-1-yl)acetate based decanuclear metallacycles: synthesis, structure, magnetic properties and DFT calculations.","Dalton transactions (Cambridge, England : 2003)","2016","45","38","15089","15096","10.1039/c6dt02333a","","","0.71073","MoKα","","0.1968","0.1316","","","0.3602","0.4034","","","","","","1.374","","","","has coordinates,has disorder","188113","2020-10-21","18:00:00",""
"7040294","12.1982","0.0016","21.725","0.003","12.2925","0.0016","90","","118.809","0.0012","90","","2854.4","0.7","150.15","","150","2","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C22 H26 F12 Fe N10 P2 -","- C22 H26 F12 Fe N10 P2 -","- C88 H104 F48 Fe4 N40 P8 -","4","1","","Hagiwara, Hiroaki; Tanaka, Tomoko; Hora, Shiori","Synthesis, structure, and spin crossover above room temperature of a mononuclear and related dinuclear double helicate iron(ii) complexes.","Dalton transactions (Cambridge, England : 2003)","2016","45","43","17132","17140","10.1039/c6dt02766k","","","0.7107","MoKα","","0.0442","0.0404","","","0.0967","0.0998","","","","","","1.064","","","","has coordinates,has disorder","188187","2020-10-21","18:00:00",""
"7040295","12.647","0.003","22.117","0.004","12.703","0.004","90","","119.722","0.002","90","","3085.7","1.3","448.15","","448","2","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C22 H26 F12 Fe N10 P2 -","- C22 H26 F12 Fe N10 P2 -","- C88 H104 F48 Fe4 N40 P8 -","4","1","","Hagiwara, Hiroaki; Tanaka, Tomoko; Hora, Shiori","Synthesis, structure, and spin crossover above room temperature of a mononuclear and related dinuclear double helicate iron(ii) complexes.","Dalton transactions (Cambridge, England : 2003)","2016","45","43","17132","17140","10.1039/c6dt02766k","","","0.7107","MoKα","","0.1291","0.093","","","0.2253","0.2449","","","","","","1.434","","","","has coordinates","188187","2020-10-21","18:00:00",""
"7040296","30.932","0.008","20.02","0.005","11.614","0.003","90","","107.907","0.003","90","","6844","3","120","2","120","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C46 H51 F18 Fe2 N21 P3 -","- C46 H51 F18 Fe2 N21 P3 -","- C184 H204 F72 Fe8 N84 P12 -","4","0.5","","Hagiwara, Hiroaki; Tanaka, Tomoko; Hora, Shiori","Synthesis, structure, and spin crossover above room temperature of a mononuclear and related dinuclear double helicate iron(ii) complexes.","Dalton transactions (Cambridge, England : 2003)","2016","45","43","17132","17140","10.1039/c6dt02766k","","","0.7107","MoKα","","0.1358","0.0956","","","0.2032","0.2215","","","","","","1.001","","","","has coordinates","188187","2020-10-21","18:00:00",""
"7040297","11.854","0.005","11.785","0.005","24.34","0.005","90","0.005","92.241","0.005","90","0.005","3398","2","90","2","90","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C28 H62 P4 -","- C28 H62 P4 -","- C112 H248 P16 -","4","1","","Annibale, Vincent T.; Ostapowicz, Thomas G.; Westhues, Stefan; Wambach, Truman C.; Fryzuk, Michael D.","Synthesis of a sterically bulky diphosphine synthon and Ru(ii) complexes of a cooperative tridentate enamide-diphosphine ligand platform.","Dalton transactions (Cambridge, England : 2003)","2016","45","40","16011","16025","10.1039/c6dt02352e","","","0.71069","MoKα","","0.0556","0.0394","","","0.0986","0.1082","","","","","","1.015","","","","has coordinates","188220","2020-10-21","18:00:00",""
"7040298","10.9852","0.0013","18.066","0.002","20.127","0.003","69.079","0.003","79.6","0.003","75.222","0.003","3589.9","0.8","90","2","90","2","","","","","","","","7","P -1","-P 1","2","","","","- C35 H57 Cl N O P2 Ru -","- C35 H57 Cl N O P2 Ru -","- C140 H228 Cl4 N4 O4 P8 Ru4 -","4","2","","Annibale, Vincent T.; Ostapowicz, Thomas G.; Westhues, Stefan; Wambach, Truman C.; Fryzuk, Michael D.","Synthesis of a sterically bulky diphosphine synthon and Ru(ii) complexes of a cooperative tridentate enamide-diphosphine ligand platform.","Dalton transactions (Cambridge, England : 2003)","2016","45","40","16011","16025","10.1039/c6dt02352e","","","0.71073","MoKα","","0.055","0.0334","","","0.0633","0.0689","","","","","","1.005","","","","has coordinates","188220","2020-10-21","18:00:00",""
"7040299","17.069","0.005","10.588","0.005","18.527","0.005","90","0.005","105.277","0.005","90","0.005","3230","2","90","2","90","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C32 H55 N O P2 Ru -","- C32 H55 N O P2 Ru -","- C128 H220 N4 O4 P8 Ru4 -","4","1","","Annibale, Vincent T.; Ostapowicz, Thomas G.; Westhues, Stefan; Wambach, Truman C.; Fryzuk, Michael D.","Synthesis of a sterically bulky diphosphine synthon and Ru(ii) complexes of a cooperative tridentate enamide-diphosphine ligand platform.","Dalton transactions (Cambridge, England : 2003)","2016","45","40","16011","16025","10.1039/c6dt02352e","","","0.71069","MoKα","","0.0756","0.049","","","0.0864","0.1011","","","","","","1.05","","","","has coordinates,has disorder","188220","2020-10-21","18:00:00",""
"7040300","11.4375","0.0009","18.7399","0.0019","14.7262","0.0014","90","","98.732","0.002","90","","3119.8","0.5","90","2","90","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C32 H53 N O P2 Ru -","- C32 H53 N O P2 Ru -","- C128 H212 N4 O4 P8 Ru4 -","4","2","","Annibale, Vincent T.; Ostapowicz, Thomas G.; Westhues, Stefan; Wambach, Truman C.; Fryzuk, Michael D.","Synthesis of a sterically bulky diphosphine synthon and Ru(ii) complexes of a cooperative tridentate enamide-diphosphine ligand platform.","Dalton transactions (Cambridge, England : 2003)","2016","45","40","16011","16025","10.1039/c6dt02352e","","","0.71073","MoKα","","0.0701","0.0493","","","0.091","0.098","","","","","","0.979","","","","has coordinates","188220","2020-10-21","18:00:00",""
"7040301","22.485","0.005","9.699","0.002","16.385","0.004","90","","108.632","0.015","90","","3386","1.4","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C33 H57 N O2 P2 Ru -","- C33 H57 N O2 P2 Ru -","- C132 H228 N4 O8 P8 Ru4 -","4","1","","Annibale, Vincent T.; Ostapowicz, Thomas G.; Westhues, Stefan; Wambach, Truman C.; Fryzuk, Michael D.","Synthesis of a sterically bulky diphosphine synthon and Ru(ii) complexes of a cooperative tridentate enamide-diphosphine ligand platform.","Dalton transactions (Cambridge, England : 2003)","2016","45","40","16011","16025","10.1039/c6dt02352e","","","0.71073","MoKα","","0.1017","0.0561","","","0.1123","0.1424","","","","","","0.978","","","","has coordinates","188220","2020-10-21","18:00:00",""
"7040302","10.6471","0.0009","34.438","0.003","9.4579","0.0008","90","","105.572","0.002","90","","3340.6","0.5","90","2","90","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C33 H55 N O2 P2 Ru -","- C33 H55 N O2 P2 Ru -","- C132 H220 N4 O8 P8 Ru4 -","4","1","","Annibale, Vincent T.; Ostapowicz, Thomas G.; Westhues, Stefan; Wambach, Truman C.; Fryzuk, Michael D.","Synthesis of a sterically bulky diphosphine synthon and Ru(ii) complexes of a cooperative tridentate enamide-diphosphine ligand platform.","Dalton transactions (Cambridge, England : 2003)","2016","45","40","16011","16025","10.1039/c6dt02352e","","","0.71073","MoKα","","0.0486","0.037","","","0.0657","0.0687","","","","","","1.149","","","","has coordinates","188220","2020-10-21","18:00:00",""
"7040303","19.6571","0.0016","18.0556","0.0014","18.7046","0.0015","90","","97.292","0.002","90","","6585","0.9","90","2","90","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C33 H55 N O2 P2 Ru -","- C33 H55 N O2 P2 Ru -","- C264 H440 N8 O16 P16 Ru8 -","8","1","","Annibale, Vincent T.; Ostapowicz, Thomas G.; Westhues, Stefan; Wambach, Truman C.; Fryzuk, Michael D.","Synthesis of a sterically bulky diphosphine synthon and Ru(ii) complexes of a cooperative tridentate enamide-diphosphine ligand platform.","Dalton transactions (Cambridge, England : 2003)","2016","45","40","16011","16025","10.1039/c6dt02352e","","","0.71073","MoKα","","0.0504","0.0358","","","0.0787","0.0846","","","","","","1.055","","","","has coordinates","188220","2020-10-21","18:00:00",""
"7040304","10.281","0.0011","16.7172","0.0019","12.751","0.0014","90","","95.568","0.002","90","","2181.2","0.4","90","2","90","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H31 I3 P2 -","- C14 H31 I3 P2 -","- C56 H124 I12 P8 -","4","1","","Annibale, Vincent T.; Ostapowicz, Thomas G.; Westhues, Stefan; Wambach, Truman C.; Fryzuk, Michael D.","Synthesis of a sterically bulky diphosphine synthon and Ru(ii) complexes of a cooperative tridentate enamide-diphosphine ligand platform.","Dalton transactions (Cambridge, England : 2003)","2016","45","40","16011","16025","10.1039/c6dt02352e","","","0.71073","MoKα","","0.0282","0.0218","","","0.0473","0.0495","","","","","","1.04","","","","has coordinates","188220","2020-10-21","18:00:00",""
"7040305","8.8036","0.0003","11.6698","0.0004","12.959","0.0005","89.06","0.003","85.122","0.003","89.476","0.003","1326.32","0.08","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","Aqua bis[ethyl 2,4-dioxo-κO^2^,κO^4^-4-(3-metoxyphenyl)butanoato]copper(II)","","- C26 H28 Cu O11 -","- C26 H28 Cu O11 -","- C52 H56 Cu2 O22 -","2","1","","Joksimović, Nenad; Baskić, Dejan; Popović, Suzana; Zarić, Milan; Kosanić, Marijana; Ranković, Branislav; Stanojković, Tatjana; Novaković, Sladjana B; Davidović, Goran; Bugarčić, Zorica; Janković, Nenad","Synthesis, characterization, biological activity, DNA and BSA binding study: novel copper(ii) complexes with 2-hydroxy-4-aryl-4-oxo-2-butenoate.","Dalton transactions (Cambridge, England : 2003)","2016","45","38","15067","15077","10.1039/c6dt02257j","","","0.71073","MoKα","","0.0677","0.0455","","","0.1269","0.152","","","","","","1.118","","","","has coordinates","188110","2020-10-21","18:00:00",""
"7040306","6.1173","0.0012","25.599","0.006","18.892","0.004","90","","93.27","0.014","90","","2953.6","1.1","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","Pd(TC3)","5,10,15,20-tetra[3-(3'-methylimidazolium-1'-yl)]porphyrinato)palladium(II) tetrakis(hexafluorophosphate)","","- C48 H56 F24 N12 P4 Pd -","- C48 H56 F24 N12 P4 Pd -","- C96 H112 F48 N24 P8 Pd2 -","2","0.5","","Ghimire, Srijana; Bork, Matthew A.; Zhang, Hanyu; Fanwick, Phillip E.; Zeller, Matthias; Choi, Jong Hyun; McMillin, David R.","DNA binding of Pd(TC3), a conformable cationic porphyrin with a long-lived triplet state.","Dalton transactions (Cambridge, England : 2003)","2016","45","36","14277","14284","10.1039/c6dt01918h","","","1.54178","CuKα","","0.1189","0.077","","","0.1981","0.2362","","","","","","1.089","","","","has coordinates","187115","2020-10-21","18:00:00",""
"7040307","9.876","0.0006","5.5764","0.0003","12.572","0.0007","90","","101.134","0.003","90","","679.34","0.07","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C10 H16 Fe N2 O6 S2 -","- C10 H16 Fe N2 O6 S2 -","- C20 H32 Fe2 N4 O12 S4 -","2","0.5","","Chanawanno, Kullapa; Holstrom, Cole; Crandall, Laura A.; Dodge, Henry; Nemykin, Victor N.; Herrick, Richard S.; Ziegler, Christopher J.","The synthesis and structures of 1,1'-bis(sulfonyl)ferrocene derivatives.","Dalton transactions (Cambridge, England : 2003)","2016","45","36","14320","14326","10.1039/c6dt02669a","","","0.71073","MoKα","","0.0759","0.0571","","","0.1645","0.1743","","","","","","1.224","","","","has coordinates","187128","2020-10-21","18:00:00",""
"7040308","7.9181","0.0003","7.7541","0.0002","10.724","0.0004","90","","99.015","0.001","90","","650.3","0.04","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C10 H8 Cl2 Fe O4 S2 -","- C10 H8 Cl2 Fe O4 S2 -","- C20 H16 Cl4 Fe2 O8 S4 -","2","0.5","","Chanawanno, Kullapa; Holstrom, Cole; Crandall, Laura A.; Dodge, Henry; Nemykin, Victor N.; Herrick, Richard S.; Ziegler, Christopher J.","The synthesis and structures of 1,1'-bis(sulfonyl)ferrocene derivatives.","Dalton transactions (Cambridge, England : 2003)","2016","45","36","14320","14326","10.1039/c6dt02669a","","","0.71073","MoKα","","0.0228","0.0223","","","0.0612","0.062","","","","","","1.169","","","","has coordinates","187128","2020-10-21","18:00:00",""
"7040309","7.4865","0.0003","7.5363","0.0003","14.9763","0.0006","87.392","0.002","86.354","0.002","65.881","0.001","769.47","0.05","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C13 H14 Cl Fe N O4 S2 -","- C13 H14 Cl Fe N O4 S2 -","- C26 H28 Cl2 Fe2 N2 O8 S4 -","2","1","","Chanawanno, Kullapa; Holstrom, Cole; Crandall, Laura A.; Dodge, Henry; Nemykin, Victor N.; Herrick, Richard S.; Ziegler, Christopher J.","The synthesis and structures of 1,1'-bis(sulfonyl)ferrocene derivatives.","Dalton transactions (Cambridge, England : 2003)","2016","45","36","14320","14326","10.1039/c6dt02669a","","","1.54178","CuKα","","0.0335","0.0328","","","0.0913","0.0921","","","","","","1.069","","","","has coordinates,has disorder","187128","2020-10-21","18:00:00",""
"7040310","7.6445","0.0002","10.0532","0.0002","12.1654","0.0003","68.802","0.001","87.487","0.001","84.924","0.001","868.18","0.04","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C15 H18 Cl Fe N O4 S2 -","- C15 H18 Cl Fe N O4 S2 -","- C30 H36 Cl2 Fe2 N2 O8 S4 -","2","1","","Chanawanno, Kullapa; Holstrom, Cole; Crandall, Laura A.; Dodge, Henry; Nemykin, Victor N.; Herrick, Richard S.; Ziegler, Christopher J.","The synthesis and structures of 1,1'-bis(sulfonyl)ferrocene derivatives.","Dalton transactions (Cambridge, England : 2003)","2016","45","36","14320","14326","10.1039/c6dt02669a","","","0.71073","MoKα","","0.0308","0.0301","","","0.0747","0.0754","","","","","","1.055","","","","has coordinates,has disorder","187128","2020-10-21","18:00:00",""
"7040311","9.1202","0.0005","12.7387","0.0006","8.0686","0.0004","90","","111.388","0.002","90","","872.85","0.08","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C16 H24 Fe N2 O4 S2 -","- C16 H24 Fe N2 O4 S2 -","- C32 H48 Fe2 N4 O8 S4 -","2","0.5","","Chanawanno, Kullapa; Holstrom, Cole; Crandall, Laura A.; Dodge, Henry; Nemykin, Victor N.; Herrick, Richard S.; Ziegler, Christopher J.","The synthesis and structures of 1,1'-bis(sulfonyl)ferrocene derivatives.","Dalton transactions (Cambridge, England : 2003)","2016","45","36","14320","14326","10.1039/c6dt02669a","","","0.71073","MoKα","","0.0405","0.0394","","","0.1122","0.1133","","","","","","1.366","","","","has coordinates","187128","2020-10-21","18:00:00",""
"7040312","11.6821","0.0012","12.4196","0.0013","15.623","0.0016","99.412","0.007","94.062","0.007","94.877","0.007","2219.8","0.4","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C20 H32 Fe N2 O4 S2 -","- C20 H32 Fe N2 O4 S2 -","- C80 H128 Fe4 N8 O16 S8 -","4","2","","Chanawanno, Kullapa; Holstrom, Cole; Crandall, Laura A.; Dodge, Henry; Nemykin, Victor N.; Herrick, Richard S.; Ziegler, Christopher J.","The synthesis and structures of 1,1'-bis(sulfonyl)ferrocene derivatives.","Dalton transactions (Cambridge, England : 2003)","2016","45","36","14320","14326","10.1039/c6dt02669a","","","0.71073","MoKα","","0.1079","0.0775","","","0.2039","0.2221","","","","","","1.2","","","","has coordinates","187128","2020-10-21","18:00:00",""
"7040313","6.1935","0.0002","6.8408","0.0003","21.6753","0.0008","90.455","0.001","93.332","0.001","108.233","0.001","870.44","0.06","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C15 H18 Cl Fe N O6 S2 -","- C15 H18 Cl Fe N O6 S2 -","- C30 H36 Cl2 Fe2 N2 O12 S4 -","2","1","","Chanawanno, Kullapa; Holstrom, Cole; Crandall, Laura A.; Dodge, Henry; Nemykin, Victor N.; Herrick, Richard S.; Ziegler, Christopher J.","The synthesis and structures of 1,1'-bis(sulfonyl)ferrocene derivatives.","Dalton transactions (Cambridge, England : 2003)","2016","45","36","14320","14326","10.1039/c6dt02669a","","","0.71073","MoKα","","0.0363","0.0335","","","0.0814","0.0846","","","","","","0.965","","","","has coordinates","187128","2020-10-21","18:00:00",""
"7040314","8.5381","0.0003","9.432","0.0004","13.8114","0.0005","90","","95.64","0.002","90","","1106.87","0.07","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C24 H24 Fe N2 O4 S2 -","- C24 H24 Fe N2 O4 S2 -","- C48 H48 Fe2 N4 O8 S4 -","2","0.5","","Chanawanno, Kullapa; Holstrom, Cole; Crandall, Laura A.; Dodge, Henry; Nemykin, Victor N.; Herrick, Richard S.; Ziegler, Christopher J.","The synthesis and structures of 1,1'-bis(sulfonyl)ferrocene derivatives.","Dalton transactions (Cambridge, England : 2003)","2016","45","36","14320","14326","10.1039/c6dt02669a","","","0.71073","MoKα","","0.0304","0.0299","","","0.0757","0.0765","","","","","","0.959","","","","has coordinates","187128","2020-10-21","18:00:00",""
"7040315","8.8433","0.0002","23.18","0.0005","10.4639","0.0002","90","","108.428","0.001","90","","2034.98","0.08","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C18 H28 Fe N2 O4 S2 -","- C18 H28 Fe N2 O4 S2 -","- C72 H112 Fe4 N8 O16 S8 -","4","1","","Chanawanno, Kullapa; Holstrom, Cole; Crandall, Laura A.; Dodge, Henry; Nemykin, Victor N.; Herrick, Richard S.; Ziegler, Christopher J.","The synthesis and structures of 1,1'-bis(sulfonyl)ferrocene derivatives.","Dalton transactions (Cambridge, England : 2003)","2016","45","36","14320","14326","10.1039/c6dt02669a","","","0.71073","MoKα","","0.0387","0.0355","","","0.1011","0.1048","","","","","","1.076","","","","has coordinates","187128","2020-10-21","18:00:00",""
"7040316","29.718","0.003","6.798","0.0007","11.6656","0.0012","90","","111.369","0.007","90","","2194.7","0.4","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C20 H28 Fe N2 O8 S2 -","- C20 H28 Fe N2 O8 S2 -","- C80 H112 Fe4 N8 O32 S8 -","4","0.5","","Chanawanno, Kullapa; Holstrom, Cole; Crandall, Laura A.; Dodge, Henry; Nemykin, Victor N.; Herrick, Richard S.; Ziegler, Christopher J.","The synthesis and structures of 1,1'-bis(sulfonyl)ferrocene derivatives.","Dalton transactions (Cambridge, England : 2003)","2016","45","36","14320","14326","10.1039/c6dt02669a","","","0.71073","MoKα","","0.0317","0.0305","","","0.0807","0.0816","","","","","","1.027","","","","has coordinates","187128","2020-10-21","18:00:00",""
"7040317","14.2039","0.0016","6.7783","0.0008","16.7399","0.0019","90","","106.824","0.005","90","","1542.7","0.3","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C13 H14 Cl Fe N O4 S2 -","- C13 H14 Cl Fe N O4 S2 -","- C52 H56 Cl4 Fe4 N4 O16 S8 -","4","1","","Chanawanno, Kullapa; Holstrom, Cole; Crandall, Laura A.; Dodge, Henry; Nemykin, Victor N.; Herrick, Richard S.; Ziegler, Christopher J.","The synthesis and structures of 1,1'-bis(sulfonyl)ferrocene derivatives.","Dalton transactions (Cambridge, England : 2003)","2016","45","36","14320","14326","10.1039/c6dt02669a","","","0.71073","MoKα","","0.0396","0.0383","","","0.0818","0.0825","","","","","","1.125","","","","has coordinates","187128","2020-10-21","18:00:00",""
"7040318","9.8354","0.0018","7.6469","0.0014","46.916","0.009","90","","90.805","0.011","90","","3528.2","1.1","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C34 H60 Fe N2 O4 S2 -","- C34 H60 Fe N2 O4 S2 -","- C136 H240 Fe4 N8 O16 S8 -","4","1","","Chanawanno, Kullapa; Holstrom, Cole; Crandall, Laura A.; Dodge, Henry; Nemykin, Victor N.; Herrick, Richard S.; Ziegler, Christopher J.","The synthesis and structures of 1,1'-bis(sulfonyl)ferrocene derivatives.","Dalton transactions (Cambridge, England : 2003)","2016","45","36","14320","14326","10.1039/c6dt02669a","","","0.71073","MoKα","","0.1584","0.1036","","","0.2527","0.2955","","","","","","1.071","","","","has coordinates","187128","2020-10-21","18:00:00",""
"7040319","9.1654","0.0001","9.2304","0.0001","9.2923","0.0001","79.8243","0.0007","87.4593","0.0007","86.5365","0.0007","771.899","0.015","","","297","","","","","","","","","7","P -1","-P 1","2","GAM-1","","","- C4.5 H12.4881 Al3 F N O13.24405 P3 -","- C4.5 H12.48 Al3 F N O13.24 P3 -","- C9 H24.96 Al6 F2 N2 O26.48 P6 -","2","1","","Komura, Kenichi; Horibe, Yukiko; Yajima, Hiroaki; Hiyoshi, Norihito; Ikeda, Takuji","Synthesis, crystal structure and characterization of novel open framework CHA-type aluminophosphate involving a chiral diamine.","Dalton transactions (Cambridge, England : 2003)","2016","45","38","15193","15202","10.1039/c6dt02939f","powder diffraction","","1.54059","CuKα~1~","","0.01027","","","","","","0.01026","0.01547","1.6778","","","","","","","has coordinates","188125","2020-10-21","18:00:00",""
"7040320","10.1427","0.0005","14.0537","0.0007","26.7005","0.0014","92.084","0.001","96.838","0.001","108.542","0.001","3571.6","0.3","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C68 H65 Eu F21 N9 O10 -","- C68 H65 Eu F21 N9 O10 -","- C136 H130 Eu2 F42 N18 O20 -","2","1","","Lin, Li-Rong; Wang, Xuan; Wei, Gao-Ning; Tang, Hui-Hui; Zhang, Hui; Ma, Li-Hua","Azobenzene-derived tris-β-diketonate lanthanide complexes: reversible trans-to-cis photoisomerization in solution and solid state.","Dalton transactions (Cambridge, England : 2003)","2016","45","38","14954","14964","10.1039/c6dt01310d","","","0.71073","MoKα","","0.0692","0.0611","","","0.1506","0.1543","","","","","","1.148","","","","has coordinates,has disorder","187058","2020-10-21","18:00:00",""
"7040321","11.023","0.015","11.338","0.016","23.45","0.03","90.46","0.03","99.96","0.03","93.35","0.03","2881","7","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C58 H42 F21 N6 O8 Yb -","- C58 H42 F21 N6 O8 Yb -","- C116 H84 F42 N12 O16 Yb2 -","2","1","","Lin, Li-Rong; Wang, Xuan; Wei, Gao-Ning; Tang, Hui-Hui; Zhang, Hui; Ma, Li-Hua","Azobenzene-derived tris-β-diketonate lanthanide complexes: reversible trans-to-cis photoisomerization in solution and solid state.","Dalton transactions (Cambridge, England : 2003)","2016","45","38","14954","14964","10.1039/c6dt01310d","","","0.71073","MoKα","","0.082","0.0648","","","0.1578","0.1657","","","","","","0.995","","","","has coordinates,has disorder","187058","2020-10-21","18:00:00",""
"7040322","10.786","0.01","13.663","0.012","23.76","0.02","84.22","0.13","89.38","0.15","74.27","0.05","3353","5","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C64 H59 F21 N9 O9 Yb -","- C64 H58 F21 N9 O9 Yb -","- C128 H116 F42 N18 O18 Yb2 -","2","1","","Lin, Li-Rong; Wang, Xuan; Wei, Gao-Ning; Tang, Hui-Hui; Zhang, Hui; Ma, Li-Hua","Azobenzene-derived tris-β-diketonate lanthanide complexes: reversible trans-to-cis photoisomerization in solution and solid state.","Dalton transactions (Cambridge, England : 2003)","2016","45","38","14954","14964","10.1039/c6dt01310d","","","0.71073","MoKα","","0.1514","0.09","","","0.2241","0.2624","","","","","","1.025","","","","has coordinates,has disorder","187058","2020-10-21","18:00:00",""
"7040323","30.722","0.002","30.722","","16.0353","0.0012","90","","90","","120","","13107.1","1.3","293","2","293","2","","","","","","","","8","R 3 m :H","R 3 -2""","160","","","","- Cs10 H42 Mn Na3 Nb9 O138 Si3 W27 -","- Cs10 Mn Na3 Nb9 O147 Si3 W27 -","- Cs30 Mn3 Na9 Nb27 O441 Si9 W81 -","3","0.166667","","Wang, Haiying; Liang, Zhijie; Wang, Yaya; Zhang, Dongdi; Ma, Pengtao; Wang, Jingping; Niu, Jingyang","Insight into the reactivity of in situ formed {(NbO2)3SiW9}: synthesis, structure, and solution properties of a trimeric polytungstosilicate trapping a {MnNb9} core.","Dalton transactions (Cambridge, England : 2003)","2016","45","38","15236","15241","10.1039/c6dt02252a","","","0.71073","MoKα","","0.0612","0.0419","","","0.1025","0.1129","","","","","","1.012","","","","has coordinates","208816","2020-10-21","18:00:00",""
"7040324","5.1039","0.0001","16.8784","0.0001","6.6915","0.0001","90","","105.28","0.01","90","","556.07","0.03","293","","293","","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C8 H8 Hg2 O4 S -","- C8 H8 Hg2 O4 S -","- C16 H16 Hg4 O8 S2 -","2","0.5","","Lannes, A.; Manceau, A.; Rovezzi, M.; Glatzel, P.; Joly, Y.; Gautier-Luneau, I","Intramolecular Hgπ interactions of d-character with non-bridging atoms in mercury-aryl complexes.","Dalton transactions (Cambridge, England : 2003)","2016","45","36","14035","14038","10.1039/c6dt02200f","","","0.56087","AgKα","","0.1126","0.0915","","0.1087","0.0935","0.0854","","","","","","1.0766","","","","has coordinates","187120","2020-10-21","18:00:00",""
"7040325","8.1729","0.0001","5.2175","0.0001","17.3973","0.0001","90","","99.7","0.03","90","","731.25","0.07","293","","293","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C12 H10 Hg2 O4 S2 -","- C12 H10 Hg2 O4 S2 -","- C24 H20 Hg4 O8 S4 -","2","0.5","","Lannes, A.; Manceau, A.; Rovezzi, M.; Glatzel, P.; Joly, Y.; Gautier-Luneau, I","Intramolecular Hgπ interactions of d-character with non-bridging atoms in mercury-aryl complexes.","Dalton transactions (Cambridge, England : 2003)","2016","45","36","14035","14038","10.1039/c6dt02200f","","","0.56087","AgKα","","0.0978","0.0796","","0.1216","0.0921","0.087","","","","","","1.0349","","","","has coordinates","187120","2020-10-21","18:00:00",""
"7040326","36.04","0.03","36.04","0.03","11.643","0.009","90","","90","","120","","13097","18","173","2","173","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- C32 H30 Cl2 O4 -","- C32 H30 Cl2 O4 -","- C576 H540 Cl36 O72 -","18","1","","Bensenane, Bachir; Asfari, Zouhair; Platas-Iglesias, Carlos; Esteban-Gómez, David; Djafri, Fatiha; Elhabiri, Mourad; Charbonnière, Loïc J","Sulphur-rich functionalized calix[4]arenes for selective complexation of Hg(2+) over Cu(2+), Zn(2+) and Cd(2).","Dalton transactions (Cambridge, England : 2003)","2016","45","38","15211","15224","10.1039/c6dt02628a","","","0.71073","MoKα","","0.1183","0.0798","","","0.2445","0.2728","","","","","","1.055","","","","has coordinates","188116","2020-10-21","18:00:00",""
"7040327","10.2238","0.0006","11.8889","0.0007","14.4085","0.0006","75.855","0.003","78.337","0.003","68.813","0.002","1570.86","0.15","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C36 H38 O4 S3 -","- C36 H38 O4 S3 -","- C72 H76 O8 S6 -","2","1","","Bensenane, Bachir; Asfari, Zouhair; Platas-Iglesias, Carlos; Esteban-Gómez, David; Djafri, Fatiha; Elhabiri, Mourad; Charbonnière, Loïc J","Sulphur-rich functionalized calix[4]arenes for selective complexation of Hg(2+) over Cu(2+), Zn(2+) and Cd(2).","Dalton transactions (Cambridge, England : 2003)","2016","45","38","15211","15224","10.1039/c6dt02628a","","","0.71073","MoKα","","0.1823","0.0961","","","0.1966","0.2429","","","","","","1.043","","","","has coordinates","188116","2020-10-21","18:00:00",""
"7040328","10.005","0.004","14.757","0.005","17.197","0.006","90","","100.266","0.005","90","","2498.4","1.6","296","2","296","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C12 H26 Al4.5 N2 O44 W8.5 -","- C12 H6 Al4.5 N2 O44 W8.5 -","- C24 H12 Al9 N4 O88 W17 -","2","0.5","","Han, Zhangang; Zhang, Huixia; Yan, Jinshuang; Zhai, Xueliang","A highly aluminum-doped β-isomer Keggin-type tungstoaluminate.","Dalton transactions (Cambridge, England : 2003)","2016","45","36","14044","14048","10.1039/c6dt02618d","","","0.71073","MoKα","","0.0444","0.0404","","","0.1111","0.1141","","","","","","1.043","","","","has coordinates,has disorder","187127","2020-10-21","18:00:00",""
"7040329","9.639","0.0006","9.9715","0.0005","16.9758","0.0011","78.438","0.005","89.32","0.005","73.325","0.004","1529.49","0.16","123","","123","2","","","","","","","","7","P -1","-P 1","2","","JMV416","","- C31 H29 N2 O5 P S W -","- C31 H29 N2 O5 P S W -","- C62 H58 N4 O10 P2 S2 W2 -","2","1","","Villalba Franco, José Manuel; Schnakenburg, Gregor; Espinosa Ferao, Arturo; Streubel, Rainer","Coordination chemistry of a low-coordinate non-metal element: the case of electrophilic terminal phosphinidene complexes.","Dalton transactions (Cambridge, England : 2003)","2016","45","35","13951","13956","10.1039/c6dt02909d","","","0.71073","MoKα","","0.0694","0.0429","","","0.0726","0.0762","","","","","","0.899","","","","has coordinates","186388","2020-10-21","18:00:00",""
"7040330","9.533","0.0005","10.118","0.0005","17.1899","0.0008","96.245","0.003","104.796","0.003","103.755","0.003","1531.52","0.14","100","","100","","","","","","","","","6","P -1","-P 1","2","","JMV-460","","- C32 H29 N2 O6 P W -","- C32 H29 N2 O6 P W -","- C64 H58 N4 O12 P2 W2 -","2","1","","Villalba Franco, José Manuel; Schnakenburg, Gregor; Espinosa Ferao, Arturo; Streubel, Rainer","Coordination chemistry of a low-coordinate non-metal element: the case of electrophilic terminal phosphinidene complexes.","Dalton transactions (Cambridge, England : 2003)","2016","45","35","13951","13956","10.1039/c6dt02909d","","x-ray","0.71073","MoKα","","0.1433","0.0532","","","0.093","0.113","","","","","","0.965","","","","has coordinates","186388","2020-10-21","18:00:00",""
"7040331","13.1709","0.001","13.0975","0.0009","15.667","0.0012","90","","91.408","0.002","90","","2701.8","0.3","100","","100","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","JMV474","","- C29 H24 N O5 P W -","- C29 H24 N O5 P W -","- C116 H96 N4 O20 P4 W4 -","4","1","","Villalba Franco, José Manuel; Schnakenburg, Gregor; Espinosa Ferao, Arturo; Streubel, Rainer","Coordination chemistry of a low-coordinate non-metal element: the case of electrophilic terminal phosphinidene complexes.","Dalton transactions (Cambridge, England : 2003)","2016","45","35","13951","13956","10.1039/c6dt02909d","","","0.71073","MoKα","","0.0265","0.0217","","","0.046","0.0473","","","","","","1.037","","","","has coordinates","186388","2020-10-21","18:00:00",""
"7040332","12.4659","0.0004","13.4443","0.0005","17.4957","0.0006","99.925","0.003","92.684","0.003","109.885","0.003","2698.45","0.17","220","2","220.15","","","","","","","","","5","P -1","-P 1","2","","","","- C96 H138 Co8 N12 O41 -","- C96 H132 Co8 N12 O41 -","- C96 H132 Co8 N12 O41 -","1","0.5","","Li, Ke; Lv, Xiu-Xiu; Shi, Lu-Lu; Liu, Lu; Li, Bao-Long; Wu, Bing","A new strategy to obtain tetranuclear cobalt(ii) metal-organic frameworks based on the [Co4(μ3-OH)2] cluster: synthesis, structures and properties.","Dalton transactions (Cambridge, England : 2003)","2016","45","38","15078","15088","10.1039/c6dt02895k","","","0.71073","MoKα","","0.0679","0.052","","","0.1243","0.1319","","","","","","1.064","","","","has coordinates","188124","2020-10-21","18:00:00",""
"7040333","10.7998","0.0003","14.5731","0.0005","17.059","0.0006","78.401","0.003","89.438","0.002","83.039","0.002","2610.35","0.15","222.95","0.1","222.95","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C36 H29 Co4 N9 O23 -","- C36 H29 Co4 N9 O23 -","- C72 H58 Co8 N18 O46 -","2","1","","Li, Ke; Lv, Xiu-Xiu; Shi, Lu-Lu; Liu, Lu; Li, Bao-Long; Wu, Bing","A new strategy to obtain tetranuclear cobalt(ii) metal-organic frameworks based on the [Co4(μ3-OH)2] cluster: synthesis, structures and properties.","Dalton transactions (Cambridge, England : 2003)","2016","45","38","15078","15088","10.1039/c6dt02895k","","","0.71073","MoKα","","0.0529","0.0388","","","0.0943","0.0997","","","","","","1.036","","","","has coordinates,has disorder","188124","2020-10-21","18:00:00",""
"7040334","10.1845","0.0004","20.8747","0.0008","10.707","0.0006","90","","101.876","0.005","90","","2227.57","0.18","223.01","0.1","223.01","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C30 H24 Co4 N6 O16 -","- C30 H24 Co4 N6 O16 -","- C60 H48 Co8 N12 O32 -","2","0.5","","Li, Ke; Lv, Xiu-Xiu; Shi, Lu-Lu; Liu, Lu; Li, Bao-Long; Wu, Bing","A new strategy to obtain tetranuclear cobalt(ii) metal-organic frameworks based on the [Co4(μ3-OH)2] cluster: synthesis, structures and properties.","Dalton transactions (Cambridge, England : 2003)","2016","45","38","15078","15088","10.1039/c6dt02895k","","","0.71073","MoKα","","0.0573","0.0378","","","0.0828","0.0904","","","","","","0.973","","","","has coordinates","188124","2020-10-21","18:00:00",""
"7040335","8.5965","0.0009","18.1619","0.0018","15.3006","0.0015","90","","90.404","0.004","90","","2388.8","0.4","190","2","190.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H24 N2 O4 Zn -","- C28 H24 N2 O4 Zn -","- C112 H96 N8 O16 Zn4 -","4","1","","Gabr, Moustafa T.; Pigge, F. Christopher","A selective fluorescent sensor for Zn(2+) based on aggregation-induced emission (AIE) activity and metal chelating ability of bis(2-pyridyl)diphenylethylene.","Dalton transactions (Cambridge, England : 2003)","2016","45","36","14039","14043","10.1039/c6dt02657e","","","0.71073","MoKα","","0.0361","0.0285","","","0.0734","0.077","","","","","","1.057","","","","has coordinates","187130","2020-10-21","18:00:00",""
"7040336","11.3465","0.0009","12.7466","0.0011","15.1169","0.0013","105.715","0.003","93.52","0.003","97.969","0.002","2073","0.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C43 H34 Cl2 N6 O6 Zn -","- C43 H34 Cl2 N6 O6 Zn -","- C86 H68 Cl4 N12 O12 Zn2 -","2","1","","Lakshman, Triloke Ranjan; Deb, Jolly; Paine, Tapan Kanti","Anti-inflammatory activity and enhanced COX-2 selectivity of nitric oxide-donating zinc(ii)-NSAID complexes.","Dalton transactions (Cambridge, England : 2003)","2016","45","36","14053","14057","10.1039/c6dt00838k","","","0.71073","MoKα","","0.1183","0.0839","","","0.2478","0.2731","","","","","","1.028","","","","has coordinates","188144","2020-10-21","18:00:00",""
"7040337","14.1014","0.0007","13.39","0.0007","23.1422","0.0013","90","","101.235","0.002","90","","4285.9","0.4","120","2","120","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C94 H86 Ag2 F6 O10 P6 S2 -","- C94 H86 Ag2 F6 O10 P6 S2 -","- C188 H172 Ag4 F12 O20 P12 S4 -","2","0.5","","Dau, Thuy Minh; Asamoah, Benjamin Darko; Belyaev, Andrey; Chakkaradhari, Gomathy; Hirva, Pipsa; Jänis, Janne; Grachova, Elena V.; Tunik, Sergey P.; Koshevoy, Igor O.","Adjustable coordination of a hybrid phosphine-phosphine oxide ligand in luminescent Cu, Ag and Au complexes.","Dalton transactions (Cambridge, England : 2003)","2016","45","36","14160","14173","10.1039/c6dt02435a","","","0.71073","MoKα","","0.088","0.0505","","","0.1057","0.118","","","","","","1.014","","","","has coordinates","187121","2020-10-21","18:00:00",""
"7040338","13.4125","0.0006","13.7925","0.0011","13.9044","0.0006","97.099","0.003","113.456","0.002","109.776","0.003","2118.8","0.2","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","","","- C90 H78 Cu2 F12 O4 P8 -","- C90 H78 Cu2 F12 O4 P8 -","- C90 H78 Cu2 F12 O4 P8 -","1","0.5","","Dau, Thuy Minh; Asamoah, Benjamin Darko; Belyaev, Andrey; Chakkaradhari, Gomathy; Hirva, Pipsa; Jänis, Janne; Grachova, Elena V.; Tunik, Sergey P.; Koshevoy, Igor O.","Adjustable coordination of a hybrid phosphine-phosphine oxide ligand in luminescent Cu, Ag and Au complexes.","Dalton transactions (Cambridge, England : 2003)","2016","45","36","14160","14173","10.1039/c6dt02435a","","","0.71073","MoKα","","0.0551","0.0432","","","0.1112","0.1182","","","","","","1.052","","","","has coordinates,has disorder","187121","2020-10-21","18:00:00",""
"7040339","10.1924","0.0003","10.6291","0.0003","18.1387","0.0005","99.727","0.001","97.931","0.001","111.217","0.001","1762.63","0.09","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","","","- C42 H33 Cl Cu O P3 -","- C42 H33 Cl Cu O P3 -","- C84 H66 Cl2 Cu2 O2 P6 -","2","1","","Dau, Thuy Minh; Asamoah, Benjamin Darko; Belyaev, Andrey; Chakkaradhari, Gomathy; Hirva, Pipsa; Jänis, Janne; Grachova, Elena V.; Tunik, Sergey P.; Koshevoy, Igor O.","Adjustable coordination of a hybrid phosphine-phosphine oxide ligand in luminescent Cu, Ag and Au complexes.","Dalton transactions (Cambridge, England : 2003)","2016","45","36","14160","14173","10.1039/c6dt02435a","","","0.71073","MoKα","","0.073","0.0419","","","0.0819","0.0929","","","","","","1.015","","","","has coordinates","187121","2020-10-21","18:00:00",""
"7040340","13.2014","0.001","15.8615","0.0012","18.2144","0.0015","90","","90","","90","","3814","0.5","120","2","120","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C43 H35 Cl2 Cu I O P3 -","- C43 H35 Cl2 Cu I O P3 -","- C172 H140 Cl8 Cu4 I4 O4 P12 -","4","1","","Dau, Thuy Minh; Asamoah, Benjamin Darko; Belyaev, Andrey; Chakkaradhari, Gomathy; Hirva, Pipsa; Jänis, Janne; Grachova, Elena V.; Tunik, Sergey P.; Koshevoy, Igor O.","Adjustable coordination of a hybrid phosphine-phosphine oxide ligand in luminescent Cu, Ag and Au complexes.","Dalton transactions (Cambridge, England : 2003)","2016","45","36","14160","14173","10.1039/c6dt02435a","","","0.71073","MoKα","","0.0523","0.0373","","","0.0822","0.0879","","","","","","1.047","","","","has coordinates","187121","2020-10-21","18:00:00",""
"7040341","32.139","0.002","15.1473","0.001","22.6292","0.0014","90","","126.759","0.002","90","","8825.8","1","120","2","120","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C84 H66 Au2 F12 O2 P8 -","- C84 H66 Au2 F12 O2 P8 -","- C336 H264 Au8 F48 O8 P32 -","4","0.5","","Dau, Thuy Minh; Asamoah, Benjamin Darko; Belyaev, Andrey; Chakkaradhari, Gomathy; Hirva, Pipsa; Jänis, Janne; Grachova, Elena V.; Tunik, Sergey P.; Koshevoy, Igor O.","Adjustable coordination of a hybrid phosphine-phosphine oxide ligand in luminescent Cu, Ag and Au complexes.","Dalton transactions (Cambridge, England : 2003)","2016","45","36","14160","14173","10.1039/c6dt02435a","","","0.71073","MoKα","","0.05","0.034","","","0.0876","0.0987","","","","","","1.042","","","","has coordinates","187121","2020-10-21","18:00:00",""
"7040342","9.1856","0.0003","19.7157","0.0006","19.6397","0.0006","90","","93.38","0.001","90","","3550.57","0.19","120","2","120","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C42 H33 Br Cu O P3 -","- C42 H33 Br Cu O P3 -","- C168 H132 Br4 Cu4 O4 P12 -","4","1","","Dau, Thuy Minh; Asamoah, Benjamin Darko; Belyaev, Andrey; Chakkaradhari, Gomathy; Hirva, Pipsa; Jänis, Janne; Grachova, Elena V.; Tunik, Sergey P.; Koshevoy, Igor O.","Adjustable coordination of a hybrid phosphine-phosphine oxide ligand in luminescent Cu, Ag and Au complexes.","Dalton transactions (Cambridge, England : 2003)","2016","45","36","14160","14173","10.1039/c6dt02435a","","","0.71073","MoKα","","0.0758","0.0457","","","0.0837","0.0937","","","","","","1.077","","","","has coordinates","187121","2020-10-21","18:00:00",""
"7040343","11.2147","0.001","10.9485","0.0006","32.358","0.002","90","","93.236","0.007","90","","3966.7","0.5","120","2","120","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C45 H39 Ag Cl O2 P3 -","- C45 H39 Ag Cl O2 P3 -","- C180 H156 Ag4 Cl4 O8 P12 -","4","1","","Dau, Thuy Minh; Asamoah, Benjamin Darko; Belyaev, Andrey; Chakkaradhari, Gomathy; Hirva, Pipsa; Jänis, Janne; Grachova, Elena V.; Tunik, Sergey P.; Koshevoy, Igor O.","Adjustable coordination of a hybrid phosphine-phosphine oxide ligand in luminescent Cu, Ag and Au complexes.","Dalton transactions (Cambridge, England : 2003)","2016","45","36","14160","14173","10.1039/c6dt02435a","","","0.71073","MoKα","","0.0681","0.0618","","","0.1434","0.1482","","","","","","1.021","","","","has coordinates","187121","2020-10-21","18:00:00",""
"7040344","12.327","0.01","20.137","0.019","16.354","0.013","90","","106.815","0.011","90","","3886","6","120","2","120","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C43 H35 Ag Br Cl2 O P3 -","- C43 H35 Ag Br Cl2 O P3 -","- C172 H140 Ag4 Br4 Cl8 O4 P12 -","4","1","","Dau, Thuy Minh; Asamoah, Benjamin Darko; Belyaev, Andrey; Chakkaradhari, Gomathy; Hirva, Pipsa; Jänis, Janne; Grachova, Elena V.; Tunik, Sergey P.; Koshevoy, Igor O.","Adjustable coordination of a hybrid phosphine-phosphine oxide ligand in luminescent Cu, Ag and Au complexes.","Dalton transactions (Cambridge, England : 2003)","2016","45","36","14160","14173","10.1039/c6dt02435a","","","0.71073","MoKα","","0.0307","0.0239","","","0.0544","0.0562","","","","","","1.044","","","","has coordinates","187121","2020-10-21","18:00:00",""
"7040345","13.489","0.006","18.443","0.008","13.7","0.006","90","","96.614","0.006","90","","3386","3","120","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C42 H33 Cl Cu P3 -","- C42 H33 Cl Cu P3 -","- C168 H132 Cl4 Cu4 P12 -","4","1","","Dau, Thuy Minh; Asamoah, Benjamin Darko; Belyaev, Andrey; Chakkaradhari, Gomathy; Hirva, Pipsa; Jänis, Janne; Grachova, Elena V.; Tunik, Sergey P.; Koshevoy, Igor O.","Adjustable coordination of a hybrid phosphine-phosphine oxide ligand in luminescent Cu, Ag and Au complexes.","Dalton transactions (Cambridge, England : 2003)","2016","45","36","14160","14173","10.1039/c6dt02435a","","","0.71073","MoKα","","0.0282","0.0241","","","0.0613","0.064","","","","","","1.041","","","","has coordinates","187121","2020-10-21","18:00:00",""
"7040346","27.23","0.002","16.1001","0.0012","23.2802","0.0019","90","","114.689","0.006","90","","9273.2","1.3","120","2","120","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C84 H66 Au Cu F12 O2 P8 -","- C84 H66 Au Cu F12 O2 P8 -","- C336 H264 Au4 Cu4 F48 O8 P32 -","4","1","","Dau, Thuy Minh; Asamoah, Benjamin Darko; Belyaev, Andrey; Chakkaradhari, Gomathy; Hirva, Pipsa; Jänis, Janne; Grachova, Elena V.; Tunik, Sergey P.; Koshevoy, Igor O.","Adjustable coordination of a hybrid phosphine-phosphine oxide ligand in luminescent Cu, Ag and Au complexes.","Dalton transactions (Cambridge, England : 2003)","2016","45","36","14160","14173","10.1039/c6dt02435a","","","0.71073","MoKα","","0.0555","0.0441","","","0.109","0.1142","","","","","","1.044","","","","has coordinates","187121","2020-10-21","18:00:00",""
"7040347","13.4272","0.0006","18.5516","0.0008","13.7711","0.0006","90","","96.087","0.001","90","","3411","0.3","120","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C42 H33 Br Cu P3 -","- C42 H33 Br Cu P3 -","- C168 H132 Br4 Cu4 P12 -","4","1","","Dau, Thuy Minh; Asamoah, Benjamin Darko; Belyaev, Andrey; Chakkaradhari, Gomathy; Hirva, Pipsa; Jänis, Janne; Grachova, Elena V.; Tunik, Sergey P.; Koshevoy, Igor O.","Adjustable coordination of a hybrid phosphine-phosphine oxide ligand in luminescent Cu, Ag and Au complexes.","Dalton transactions (Cambridge, England : 2003)","2016","45","36","14160","14173","10.1039/c6dt02435a","","","0.71073","MoKα","","0.0748","0.0435","","","0.0751","0.0816","","","","","","1.011","","","","has coordinates","187121","2020-10-21","18:00:00",""
"7040348","19.311","0.002","18.4966","0.0015","10.3114","0.0007","90","","90","","90","","3683.1","0.5","120","2","120","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C42 H33 Ag I O P3 -","- C42 H33 Ag I O P3 -","- C168 H132 Ag4 I4 O4 P12 -","4","1","","Dau, Thuy Minh; Asamoah, Benjamin Darko; Belyaev, Andrey; Chakkaradhari, Gomathy; Hirva, Pipsa; Jänis, Janne; Grachova, Elena V.; Tunik, Sergey P.; Koshevoy, Igor O.","Adjustable coordination of a hybrid phosphine-phosphine oxide ligand in luminescent Cu, Ag and Au complexes.","Dalton transactions (Cambridge, England : 2003)","2016","45","36","14160","14173","10.1039/c6dt02435a","","","0.71073","MoKα","","0.028","0.0248","","","0.0601","0.0617","","","","","","1.078","","","","has coordinates","187121","2020-10-21","18:00:00",""
"7040349","13.5239","0.0005","18.705","0.0007","13.8376","0.0005","90","","95.501","0.002","90","","3484.3","0.2","120","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C42 H33 Ag Br P3 -","- C42 H33 Ag Br P3 -","- C168 H132 Ag4 Br4 P12 -","4","1","","Dau, Thuy Minh; Asamoah, Benjamin Darko; Belyaev, Andrey; Chakkaradhari, Gomathy; Hirva, Pipsa; Jänis, Janne; Grachova, Elena V.; Tunik, Sergey P.; Koshevoy, Igor O.","Adjustable coordination of a hybrid phosphine-phosphine oxide ligand in luminescent Cu, Ag and Au complexes.","Dalton transactions (Cambridge, England : 2003)","2016","45","36","14160","14173","10.1039/c6dt02435a","","","0.71073","MoKα","","0.0559","0.0337","","","0.0689","0.0762","","","","","","1.032","","","","has coordinates","187121","2020-10-21","18:00:00",""
"7040350","12.3318","0.0011","15.3248","0.0016","19.1076","0.0009","90","","95.457","0.006","90","","3594.6","0.5","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C42 H33 Ag I P3 -","- C42 H33 Ag I P3 -","- C168 H132 Ag4 I4 P12 -","4","1","","Dau, Thuy Minh; Asamoah, Benjamin Darko; Belyaev, Andrey; Chakkaradhari, Gomathy; Hirva, Pipsa; Jänis, Janne; Grachova, Elena V.; Tunik, Sergey P.; Koshevoy, Igor O.","Adjustable coordination of a hybrid phosphine-phosphine oxide ligand in luminescent Cu, Ag and Au complexes.","Dalton transactions (Cambridge, England : 2003)","2016","45","36","14160","14173","10.1039/c6dt02435a","","","0.71073","MoKα","","0.0254","0.0212","","","0.0576","0.061","","","","","","1.06","","","","has coordinates","187121","2020-10-21","18:00:00",""
"7040351","8.7494","0.0007","12.8229","0.0009","18.0175","0.0014","95.984","0.002","92.269","0.002","92.255","0.002","2006.9","0.3","77","2","77","2","","","","","","","","8","P -1","-P 1","2","","PHPYIrCP1","","- C41 H41 Cl F6 Ir N6 O2 P -","- C41 H41 Cl F6 Ir N6 O2 P -","- C82 H82 Cl2 F12 Ir2 N12 O4 P2 -","2","1","","Tripathy, Suman Kumar; De, Umasankar; Dehury, Niranjan; Laha, Paltan; Panda, Manas Kumar; Kim, Hyung Sik; Patra, Srikanta","Cyclometallated iridium complexes inducing paraptotic cell death like natural products: synthesis, structure and mechanistic aspects.","Dalton transactions (Cambridge, England : 2003)","2016","45","38","15122","15136","10.1039/c6dt00929h","","","0.71073","MoKα","","0.1017","0.069","","","0.1288","0.1423","","","","","","1.079","","","","has coordinates","188120","2020-10-21","18:00:00",""
"7040352","49.358","0.008","49.358","0.008","11.9179","0.0019","90","","90","","120","","25145","7","77","2","77","","","","","","","","","7","R -3","-R 3","148","ThenilmIrPPy_LN_sq","","","- C113 H88 F12 Ir2 N12 P2 S4 -","- C113 H88 F12 Ir2 N12 P2 S4 -","- C1017 H792 F108 Ir18 N108 P18 S36 -","9","","","Tripathy, Suman Kumar; De, Umasankar; Dehury, Niranjan; Laha, Paltan; Panda, Manas Kumar; Kim, Hyung Sik; Patra, Srikanta","Cyclometallated iridium complexes inducing paraptotic cell death like natural products: synthesis, structure and mechanistic aspects.","Dalton transactions (Cambridge, England : 2003)","2016","45","38","15122","15136","10.1039/c6dt00929h","","","0.71073","MoKα","","0.1132","0.0588","","","0.1131","0.128","","","","","","1.032","","","","has coordinates,has disorder","188120","2020-10-21","18:00:00",""
"7040353","32.246","0.0012","11.4564","0.0013","21.046","0.002","90","","121.537","0.008","90","","6626.5","1.2","120","2","120","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C29.5 H26 Cl2 N6 O8 Re2 -","- C29.5 H26 Cl2 N6 O8 Re2 -","- C236 H208 Cl16 N48 O64 Re16 -","8","1","","Jiménez-Pulido, Sonia B; Illán-Cabeza, Nuria A; Hueso-Ureña, Francisco; Maldonado, Carmen R.; Sánchez-Sánchez, Purificación; Fernández-Liencres, M Paz; Fernández-Gómez, Manuel; Moreno-Carretero, Miguel N","A combined experimental and DFT investigation on the structure and CO-releasing properties of mono and binuclear fac-Re(I)(CO)3 complexes with 5-pyridin-2-ylmethylene-amino uracils.","Dalton transactions (Cambridge, England : 2003)","2016","45","38","15142","15154","10.1039/c6dt02208a","","","0.71073","MoKα","","0.0528","0.0408","","","0.1177","0.1234","","","","","","1.278","","","","has coordinates,has disorder","188122","2020-10-21","18:00:00",""
"7040354","12.0852","0.0017","20.8164","0.0005","13.6738","0.0015","90","","112.846","0.009","90","","3170.1","0.6","120","2","120","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C23 H27 Cl N6 O11 Re2 S2 -","- C23 H27 Cl N6 O11 Re2 S2 -","- C92 H108 Cl4 N24 O44 Re8 S8 -","4","1","","Jiménez-Pulido, Sonia B; Illán-Cabeza, Nuria A; Hueso-Ureña, Francisco; Maldonado, Carmen R.; Sánchez-Sánchez, Purificación; Fernández-Liencres, M Paz; Fernández-Gómez, Manuel; Moreno-Carretero, Miguel N","A combined experimental and DFT investigation on the structure and CO-releasing properties of mono and binuclear fac-Re(I)(CO)3 complexes with 5-pyridin-2-ylmethylene-amino uracils.","Dalton transactions (Cambridge, England : 2003)","2016","45","38","15142","15154","10.1039/c6dt02208a","","","0.71073","MoKα","","0.0981","0.0481","","","0.1052","0.1281","","","","","","1.085","","","","has coordinates","188122","2020-10-21","18:00:00",""
"7040355","13.949","0.004","16.578","0.004","25.764","0.009","90","","90","","90","","5958","3","120","2","120","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C22 H21 Cl3 N7 O9 Re -","- C22 H21 Cl3 N7 O9 Re -","- C176 H168 Cl24 N56 O72 Re8 -","8","1","","Jiménez-Pulido, Sonia B; Illán-Cabeza, Nuria A; Hueso-Ureña, Francisco; Maldonado, Carmen R.; Sánchez-Sánchez, Purificación; Fernández-Liencres, M Paz; Fernández-Gómez, Manuel; Moreno-Carretero, Miguel N","A combined experimental and DFT investigation on the structure and CO-releasing properties of mono and binuclear fac-Re(I)(CO)3 complexes with 5-pyridin-2-ylmethylene-amino uracils.","Dalton transactions (Cambridge, England : 2003)","2016","45","38","15142","15154","10.1039/c6dt02208a","","x-ray","0.71073","MoKα","","0.1054","0.0704","","","0.1867","0.2076","","","","","","1.163","","","","has coordinates,has disorder","188122","2020-10-21","18:00:00",""
"7040356","8.134","0.0016","13.116","0.003","14.26","0.003","73.28","0.03","74.05","0.03","76.64","0.03","1381.7","0.6","120","2","120","2","","","","","","","","7","P -1","-P 1","2","","","","- C22 H23 F6 N7 O6 P Re -","- C22 H23 F6 N7 O6 P Re -","- C44 H46 F12 N14 O12 P2 Re2 -","2","1","","Jiménez-Pulido, Sonia B; Illán-Cabeza, Nuria A; Hueso-Ureña, Francisco; Maldonado, Carmen R.; Sánchez-Sánchez, Purificación; Fernández-Liencres, M Paz; Fernández-Gómez, Manuel; Moreno-Carretero, Miguel N","A combined experimental and DFT investigation on the structure and CO-releasing properties of mono and binuclear fac-Re(I)(CO)3 complexes with 5-pyridin-2-ylmethylene-amino uracils.","Dalton transactions (Cambridge, England : 2003)","2016","45","38","15142","15154","10.1039/c6dt02208a","","x-ray","0.71073","MoKα","","0.0715","0.0477","","","0.1282","0.1537","","","","","","1.103","","","","has coordinates,has disorder","188122","2020-10-21","18:00:00",""
"7040357","13.7068","0.001","10.7442","0.0008","13.8605","0.0009","90","","103.693","0.005","90","","1983.2","0.2","120","2","120","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C15.5 H14 Cl2 N5 O5 Re -","- C15.5 H14 Cl2 N5 O5 Re -","- C62 H56 Cl8 N20 O20 Re4 -","4","1","","Jiménez-Pulido, Sonia B; Illán-Cabeza, Nuria A; Hueso-Ureña, Francisco; Maldonado, Carmen R.; Sánchez-Sánchez, Purificación; Fernández-Liencres, M Paz; Fernández-Gómez, Manuel; Moreno-Carretero, Miguel N","A combined experimental and DFT investigation on the structure and CO-releasing properties of mono and binuclear fac-Re(I)(CO)3 complexes with 5-pyridin-2-ylmethylene-amino uracils.","Dalton transactions (Cambridge, England : 2003)","2016","45","38","15142","15154","10.1039/c6dt02208a","","x-ray","0.71073","MoKα","","0.063","0.0403","","","0.0972","0.1089","","","","","","1.089","","","","has coordinates,has disorder","188122","2020-10-21","18:00:00",""
"7040358","13.6538","0.0003","15.0404","0.0003","24.7778","0.0006","87.064","0.001","82.366","0.001","66.76","0.001","4634.02","0.18","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C104 H110 Cu4 O S8 -","- C104 H110 Cu4 O S8 -","- C208 H220 Cu8 O2 S16 -","2","1","","Rungthanaphatsophon, Pokpong; Barnes, Charles L.; Walensky, Justin R.","Copper(i) clusters with bulky dithiocarboxylate, thiolate, and selenolate ligands.","Dalton transactions (Cambridge, England : 2003)","2016","45","36","14265","14276","10.1039/c6dt02709a","","","1.54178","CuKα","","0.0352","0.0287","","","0.0697","0.0732","","","","","","1.013","","","","has coordinates,has disorder","187118","2020-10-21","18:00:00",""
"7040359","12.9612","0.0009","17.4811","0.0012","16.5758","0.0011","90","","105.455","0.001","90","","3619.9","0.4","100","2","100","2","","","","","","","","5","P 1 c 1","P -2yc","7","","","","- C78 H104 Cu2 N2 S4 -","- C78 H104 Cu2 N2 S4 -","- C156 H208 Cu4 N4 S8 -","2","1","","Rungthanaphatsophon, Pokpong; Barnes, Charles L.; Walensky, Justin R.","Copper(i) clusters with bulky dithiocarboxylate, thiolate, and selenolate ligands.","Dalton transactions (Cambridge, England : 2003)","2016","45","36","14265","14276","10.1039/c6dt02709a","","","0.71073","MoKα","","0.0326","0.03","","","0.0771","0.0788","","","","","","1.038","","","","has coordinates","187118","2020-10-21","18:00:00",""
"7040360","11.944","0.002","13.738","0.003","20.459","0.004","84.18","0.002","88.55","0.002","71.227","0.002","3162","1.1","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C65 H87 Cu2 P2 S4 -","- C65 H87 Cu2 P2 S4 -","- C130 H174 Cu4 P4 S8 -","2","1","","Rungthanaphatsophon, Pokpong; Barnes, Charles L.; Walensky, Justin R.","Copper(i) clusters with bulky dithiocarboxylate, thiolate, and selenolate ligands.","Dalton transactions (Cambridge, England : 2003)","2016","45","36","14265","14276","10.1039/c6dt02709a","","x-ray","0.71073","MoKα","","0.0595","0.0401","","","0.0941","0.1027","","","","","","1.028","","","","has coordinates,has disorder","187118","2020-10-21","18:00:00",""
"7040361","11.887","0.002","11.899","0.002","25.649","0.005","90","","90","","90","","3627.9","1.1","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C37 H55 Cu P2 S2 -","- C37 H55 Cu P2 S2 -","- C148 H220 Cu4 P8 S8 -","4","1","","Rungthanaphatsophon, Pokpong; Barnes, Charles L.; Walensky, Justin R.","Copper(i) clusters with bulky dithiocarboxylate, thiolate, and selenolate ligands.","Dalton transactions (Cambridge, England : 2003)","2016","45","36","14265","14276","10.1039/c6dt02709a","","","0.71073","MoKα","","0.0249","0.0245","","","0.057","0.0574","","","","","","1.063","","","","has coordinates","187118","2020-10-21","18:00:00",""
"7040362","13.6652","0.0003","26.0431","0.0005","14.8022","0.0003","90","","93.347","0.001","90","","5258.88","0.19","297","2","297","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C49 H79 Cu P2 S2 -","- C49 H79 Cu P2 S2 -","- C196 H316 Cu4 P8 S8 -","4","1","","Rungthanaphatsophon, Pokpong; Barnes, Charles L.; Walensky, Justin R.","Copper(i) clusters with bulky dithiocarboxylate, thiolate, and selenolate ligands.","Dalton transactions (Cambridge, England : 2003)","2016","45","36","14265","14276","10.1039/c6dt02709a","","","1.54178","CuKα","","0.0865","0.0754","","","0.2247","0.2458","","","","","","1.046","","","","has coordinates,has disorder","187118","2020-10-21","18:00:00",""
"7040363","8.8758","0.0012","22.935","0.003","12.6872","0.0017","90","","91.084","0.002","90","","2582.2","0.6","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C27 H33 Li O2 S2 -","- C27 H33 Li O2 S2 -","- C108 H132 Li4 O8 S8 -","4","1","","Rungthanaphatsophon, Pokpong; Barnes, Charles L.; Walensky, Justin R.","Copper(i) clusters with bulky dithiocarboxylate, thiolate, and selenolate ligands.","Dalton transactions (Cambridge, England : 2003)","2016","45","36","14265","14276","10.1039/c6dt02709a","","","0.71073","MoKα","","0.0645","0.0434","","","0.0876","0.0967","","","","","","1.017","","","","has coordinates","187118","2020-10-21","18:00:00",""
"7040364","17.1313","0.0011","14.1534","0.0009","26.5086","0.0016","90","","100.384","0.001","90","","6322.2","0.7","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C31 H43 Cu P2 S2 -","- C31 H43 Cu P2 S2 -","- C248 H344 Cu8 P16 S16 -","8","2","","Rungthanaphatsophon, Pokpong; Barnes, Charles L.; Walensky, Justin R.","Copper(i) clusters with bulky dithiocarboxylate, thiolate, and selenolate ligands.","Dalton transactions (Cambridge, England : 2003)","2016","45","36","14265","14276","10.1039/c6dt02709a","","","0.71073","MoKα","","0.0588","0.034","","","0.0677","0.0736","","","","","","0.873","","","","has coordinates","192220","2020-10-21","18:00:00",""
"7040365","11.938","0.003","11.356","0.002","20.088","0.004","90","","95.631","0.003","90","","2710.1","1","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C30 H40 Cu P -","- C30 H40 Cu P -","- C120 H160 Cu4 P4 -","4","1","","Rungthanaphatsophon, Pokpong; Barnes, Charles L.; Walensky, Justin R.","Copper(i) clusters with bulky dithiocarboxylate, thiolate, and selenolate ligands.","Dalton transactions (Cambridge, England : 2003)","2016","45","36","14265","14276","10.1039/c6dt02709a","","","0.71073","MoKα","","0.0666","0.0425","","","0.1036","0.1153","","","","","","1.016","","","","has coordinates","187118","2020-10-21","18:00:00",""
"7040366","15.958","0.003","10.5272","0.0019","17.379","0.003","90","","105.505","0.002","90","","2813.3","0.9","100","2","100","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C30 H43 Cu P2 -","- C30 H43 Cu P2 -","- C120 H172 Cu4 P8 -","4","1","","Rungthanaphatsophon, Pokpong; Barnes, Charles L.; Walensky, Justin R.","Copper(i) clusters with bulky dithiocarboxylate, thiolate, and selenolate ligands.","Dalton transactions (Cambridge, England : 2003)","2016","45","36","14265","14276","10.1039/c6dt02709a","","x-ray","0.71073","MoKα","","0.0249","0.0235","","","0.0503","0.0509","","","","","","1","","","","has coordinates","187118","2020-10-21","18:00:00",""
"7040367","13.0283","0.0006","14.0454","0.0007","18.6504","0.0009","85.028","0.004","74.327","0.004","65.477","0.003","2988.2","0.3","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C72 H75 Cu3 S3 -","- C72 H75 Cu3 S3 -","- C144 H150 Cu6 S6 -","2","1","","Rungthanaphatsophon, Pokpong; Barnes, Charles L.; Walensky, Justin R.","Copper(i) clusters with bulky dithiocarboxylate, thiolate, and selenolate ligands.","Dalton transactions (Cambridge, England : 2003)","2016","45","36","14265","14276","10.1039/c6dt02709a","","","0.71073","MoKα","","0.1","0.0681","","","0.1791","0.2075","","","","","","0.989","","","","has coordinates","187118","2020-10-21","18:00:00",""
"7040368","13.183","0.004","14.033","0.004","18.66","0.005","85.712","0.003","73.509","0.003","66.271","0.003","3027.1","1.5","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C72 H75 Cu3 Se3 -","- C72 H75 Cu3 Se3 -","- C144 H150 Cu6 Se6 -","2","1","","Rungthanaphatsophon, Pokpong; Barnes, Charles L.; Walensky, Justin R.","Copper(i) clusters with bulky dithiocarboxylate, thiolate, and selenolate ligands.","Dalton transactions (Cambridge, England : 2003)","2016","45","36","14265","14276","10.1039/c6dt02709a","","","0.71073","MoKα","","0.0551","0.0339","","","0.0659","0.0719","","","","","","1.013","","","","has coordinates","187118","2020-10-21","18:00:00",""
"7040369","12.9452","0.0008","18.3134","0.0012","17.8762","0.0012","90","","109.206","0.001","90","","4002","0.5","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C42 H64 Cu P S -","- C42 H64 Cu P S -","- C168 H256 Cu4 P4 S4 -","4","1","","Rungthanaphatsophon, Pokpong; Barnes, Charles L.; Walensky, Justin R.","Copper(i) clusters with bulky dithiocarboxylate, thiolate, and selenolate ligands.","Dalton transactions (Cambridge, England : 2003)","2016","45","36","14265","14276","10.1039/c6dt02709a","","","0.71073","MoKα","","0.0612","0.04","","","0.0904","0.1003","","","","","","1.036","","","","has coordinates","187118","2020-10-21","18:00:00",""
"7040370","12.9948","0.001","17.9243","0.0013","18.0827","0.0014","90","","109.086","0.001","90","","3980.3","0.5","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C42 H64 Cu P Se -","- C42 H64 Cu P Se -","- C168 H256 Cu4 P4 Se4 -","4","1","","Rungthanaphatsophon, Pokpong; Barnes, Charles L.; Walensky, Justin R.","Copper(i) clusters with bulky dithiocarboxylate, thiolate, and selenolate ligands.","Dalton transactions (Cambridge, England : 2003)","2016","45","36","14265","14276","10.1039/c6dt02709a","","","0.71073","MoKα","","0.0386","0.0287","","","0.0681","0.0722","","","","","","1.022","","","","has coordinates","187118","2020-10-21","18:00:00",""
"7040371","15.9009","0.0008","15.8294","0.0008","18.1091","0.0008","90","","109.606","0.002","90","","4293.8","0.4","100","0.2","100","0.2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C34.75 H54.75 B19 Ni O P2 -","- C30 H45 B19 Ni P2 -","- C120 H180 B76 Ni4 P8 -","4","1","","Mandal, Dipendu; Man, Wing Y.; Rosair, Georgina M.; Welch, Alan J.","Steric versus electronic factors in metallacarborane isomerisation: nickelacarboranes with 3,1,2-, 4,1,2- and 2,1,8-NiC2B9 architectures and pendant carborane groups, derived from 1,1'-bis(o-carborane).","Dalton transactions (Cambridge, England : 2003)","2016","45","38","15013","15025","10.1039/c6dt02855a","","","0.71073","MoKα","","0.0731","0.0429","","","0.0974","0.1055","","","","","","0.969","","","","has coordinates","187071","2020-10-21","18:00:00",""
"7040372","10.2951","0.0008","13.7359","0.001","16.4159","0.0013","70.135","0.004","74.434","0.004","74.312","0.004","2061.6","0.3","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C31 H47 B19 Cl2 Ni P2 -","- C31 H47 B19 Cl2 Ni P2 -","- C62 H94 B38 Cl4 Ni2 P4 -","2","1","","Mandal, Dipendu; Man, Wing Y.; Rosair, Georgina M.; Welch, Alan J.","Steric versus electronic factors in metallacarborane isomerisation: nickelacarboranes with 3,1,2-, 4,1,2- and 2,1,8-NiC2B9 architectures and pendant carborane groups, derived from 1,1'-bis(o-carborane).","Dalton transactions (Cambridge, England : 2003)","2016","45","38","15013","15025","10.1039/c6dt02855a","","","0.71073","MoKα","","0.0624","0.0436","","","0.0999","0.1089","","","","","","1.03","","","","has coordinates,has disorder","187071","2020-10-21","18:00:00",""
"7040373","9.0457","0.0007","12.1143","0.001","13.0918","0.0011","112.101","0.004","97.903","0.004","99.226","0.004","1280.96","0.19","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C10 H37 B19 Ni P2 -","- C10 H37 B19 Ni P2 -","- C20 H74 B38 Ni2 P4 -","2","1","","Mandal, Dipendu; Man, Wing Y.; Rosair, Georgina M.; Welch, Alan J.","Steric versus electronic factors in metallacarborane isomerisation: nickelacarboranes with 3,1,2-, 4,1,2- and 2,1,8-NiC2B9 architectures and pendant carborane groups, derived from 1,1'-bis(o-carborane).","Dalton transactions (Cambridge, England : 2003)","2016","45","38","15013","15025","10.1039/c6dt02855a","","","0.71073","MoKα","","0.0429","0.0342","","","0.0759","0.0811","","","","","","0.979","","","","has coordinates,has disorder","187071","2020-10-21","18:00:00",""
"7040374","10.3294","0.0007","29.295","0.002","10.5038","0.0007","90","","116.545","0.003","90","","2843.4","0.3","100","0.2","100","0.2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C10.75 H40.5 B19 Cl1.5 Ni P2 -","- C10 H39 B19 Ni P2 -","- C40 H156 B76 Ni4 P8 -","4","1","","Mandal, Dipendu; Man, Wing Y.; Rosair, Georgina M.; Welch, Alan J.","Steric versus electronic factors in metallacarborane isomerisation: nickelacarboranes with 3,1,2-, 4,1,2- and 2,1,8-NiC2B9 architectures and pendant carborane groups, derived from 1,1'-bis(o-carborane).","Dalton transactions (Cambridge, England : 2003)","2016","45","38","15013","15025","10.1039/c6dt02855a","","","0.71073","MoKα","","0.0475","0.0348","","","0.0847","0.0894","","","","","","1.072","","","","has coordinates,has disorder","187071","2020-10-21","18:00:00",""
"7040375","11.2413","0.0005","13.8817","0.0006","18.1169","0.0007","90","","97.664","0.002","90","","2801.9","0.2","200","","200","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C10 H38 B19 Cl Ni P2 -","- C10 H38 B19 Cl Ni P2 -","- C40 H152 B76 Cl4 Ni4 P8 -","4","1","","Mandal, Dipendu; Man, Wing Y.; Rosair, Georgina M.; Welch, Alan J.","Steric versus electronic factors in metallacarborane isomerisation: nickelacarboranes with 3,1,2-, 4,1,2- and 2,1,8-NiC2B9 architectures and pendant carborane groups, derived from 1,1'-bis(o-carborane).","Dalton transactions (Cambridge, England : 2003)","2016","45","38","15013","15025","10.1039/c6dt02855a","","","0.71073","MoKα","","0.049","0.0331","","","0.0862","0.0934","","","","","","1.039","","","","has coordinates","187071","2020-10-21","18:00:00",""
"7040376","9.8159","0.0013","11.0792","0.0015","14.558","0.002","90","","90.703","0.009","90","","1583.1","0.4","100","0.2","100","0.2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C20 H43 B19 Ni P2 -","- C20 H43 B19 Ni P2 -","- C40 H86 B38 Ni2 P4 -","2","1","","Mandal, Dipendu; Man, Wing Y.; Rosair, Georgina M.; Welch, Alan J.","Steric versus electronic factors in metallacarborane isomerisation: nickelacarboranes with 3,1,2-, 4,1,2- and 2,1,8-NiC2B9 architectures and pendant carborane groups, derived from 1,1'-bis(o-carborane).","Dalton transactions (Cambridge, England : 2003)","2016","45","38","15013","15025","10.1039/c6dt02855a","","","0.71073","MoKα","","0.1216","0.0699","","","0.1353","0.1567","","","","","","1.047","","","","has coordinates,has disorder","187071","2020-10-21","18:00:00",""
"7040377","7.0021","0.0009","12.7125","0.0016","26.754","0.003","90","","95.459","0.003","90","","2370.7","0.5","100","0.2","100","0.2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C12 H32 B19 P -","- C12 H32 B19 P -","- C48 H128 B76 P4 -","4","1","","Mandal, Dipendu; Man, Wing Y.; Rosair, Georgina M.; Welch, Alan J.","Steric versus electronic factors in metallacarborane isomerisation: nickelacarboranes with 3,1,2-, 4,1,2- and 2,1,8-NiC2B9 architectures and pendant carborane groups, derived from 1,1'-bis(o-carborane).","Dalton transactions (Cambridge, England : 2003)","2016","45","38","15013","15025","10.1039/c6dt02855a","","","0.71073","MoKα","","0.0882","0.0587","","","0.1334","0.1481","","","","","","1.026","","","","has coordinates","187071","2020-10-21","18:00:00",""
"7040378","11.0321","0.0011","11.6703","0.0012","11.8503","0.0011","109.302","0.004","95.518","0.005","93.573","0.006","1426.1","0.2","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C10 H39 B19 Ni O6 P2 -","- C10 H39 B19 Ni O6 P2 -","- C20 H78 B38 Ni2 O12 P4 -","2","1","","Mandal, Dipendu; Man, Wing Y.; Rosair, Georgina M.; Welch, Alan J.","Steric versus electronic factors in metallacarborane isomerisation: nickelacarboranes with 3,1,2-, 4,1,2- and 2,1,8-NiC2B9 architectures and pendant carborane groups, derived from 1,1'-bis(o-carborane).","Dalton transactions (Cambridge, England : 2003)","2016","45","38","15013","15025","10.1039/c6dt02855a","","","0.71073","MoKα","","0.0655","0.0419","","","0.0992","0.1106","","","","","","1.02","","","","has coordinates","187071","2020-10-21","18:00:00",""
"7040379","10.2399","0.0012","10.9998","0.0013","13.102","0.0015","78.502","0.007","89.803","0.006","78.7","0.006","1417.1","0.3","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C10 H39 B19 Ni O6 P2 -","- C10 H39 B19 Ni O6 P2 -","- C20 H78 B38 Ni2 O12 P4 -","2","1","","Mandal, Dipendu; Man, Wing Y.; Rosair, Georgina M.; Welch, Alan J.","Steric versus electronic factors in metallacarborane isomerisation: nickelacarboranes with 3,1,2-, 4,1,2- and 2,1,8-NiC2B9 architectures and pendant carborane groups, derived from 1,1'-bis(o-carborane).","Dalton transactions (Cambridge, England : 2003)","2016","45","38","15013","15025","10.1039/c6dt02855a","","","0.71073","MoKα","","0.0548","0.0376","","","0.0809","0.0881","","","","","","1.057","","","","has coordinates","187071","2020-10-21","18:00:00",""
"7040380","11.2404","0.0003","17.7665","0.0004","20.0607","0.0006","90","","98.553","0.002","90","","3961.62","0.18","170","2","170","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C41 H51 Mo N2 P5 -","- C41 H51 Mo N2 P5 -","- C164 H204 Mo4 N8 P20 -","4","1","","Hinrichsen, Svea; Schnoor, Ann-Christin; Grund, Katharina; Flöser, Benedikt; Schlimm, Alexander; Näther, Christian; Krahmer, Jan; Tuczek, Felix","Molybdenum dinitrogen complexes facially coordinated by linear tridentate PEP ligands (E = N or P): impact of the central E donor in trans-position to N2.","Dalton transactions (Cambridge, England : 2003)","2016","45","37","14801","14813","10.1039/c6dt02316a","","","0.71073","MoKα","","0.0406","0.0344","","","0.0812","0.0841","","","","","","1.059","","","","has coordinates","187148","2020-10-21","18:00:00",""
"7040381","9.4524","0.0002","18.9236","0.0003","20.0445","0.0004","90","","93.24","0.002","90","","3579.7","0.12","170","2","170","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C35 H47 Mo N2 P5 -","- C35 H47 Mo N2 P5 -","- C140 H188 Mo4 N8 P20 -","4","1","","Hinrichsen, Svea; Schnoor, Ann-Christin; Grund, Katharina; Flöser, Benedikt; Schlimm, Alexander; Näther, Christian; Krahmer, Jan; Tuczek, Felix","Molybdenum dinitrogen complexes facially coordinated by linear tridentate PEP ligands (E = N or P): impact of the central E donor in trans-position to N2.","Dalton transactions (Cambridge, England : 2003)","2016","45","37","14801","14813","10.1039/c6dt02316a","","","0.71073","MoKα","","0.0358","0.0323","","","0.0868","0.0891","","","","","","1.059","","","","has coordinates","187148","2020-10-21","18:00:00",""
"7040382","24.929","0.003","24.929","0.003","5.2298","0.0009","90","","90","","120","","2814.7","0.7","293","2","293","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- C6 H2 N10 O8 -","- C6 H2 N10 O8 -","- C54 H18 N90 O72 -","9","0.5","","Huang, Haifeng; Shi, Yameng; Liu, Yanfang; Yang, Jun","1,2,4,5-Dioxadiazine-functionalized [N-NO2](-) furazan energetic salts.","Dalton transactions (Cambridge, England : 2003)","2016","45","39","15382","","10.1039/c6dt02993k","","","0.71073","MoKα","","0.0445","0.0403","","","0.0971","0.1001","","","","","","1.108","","","","has coordinates","187085","2020-10-21","18:00:00",""
"7040383","8.327","0.003","8.515","0.003","10.354","0.003","85.243","0.007","83.98","0.007","85.302","0.007","725.6","0.4","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C6 H10 N12 O9 -","- C6 H10 N12 O9 -","- C12 H20 N24 O18 -","2","1","","Huang, Haifeng; Shi, Yameng; Liu, Yanfang; Yang, Jun","1,2,4,5-Dioxadiazine-functionalized [N-NO2](-) furazan energetic salts.","Dalton transactions (Cambridge, England : 2003)","2016","45","39","15382","","10.1039/c6dt02993k","","","0.71073","MoKα","","0.1032","0.076","","","0.2047","0.2357","","","","","","1.041","","","","has coordinates","187085","2020-10-21","18:00:00",""
"7040384","12.4121","0.0019","4.1853","0.0007","14.866","0.002","90","","113.46","0.003","90","","708.43","0.19","130","","130","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C6 H8 N12 O10 -","- C6 H8 N12 O10 -","- C12 H16 N24 O20 -","2","0.5","","Huang, Haifeng; Shi, Yameng; Liu, Yanfang; Yang, Jun","1,2,4,5-Dioxadiazine-functionalized [N-NO2](-) furazan energetic salts.","Dalton transactions (Cambridge, England : 2003)","2016","45","39","15382","","10.1039/c6dt02993k","","","0.71073","MoKα","","0.0553","0.0396","","","0.0933","0.1015","","","","","","1.022","","","","has coordinates","187085","2020-10-21","18:00:00",""
"7040385","8.248","0.002","16.509","0.004","7.2536","0.0017","90","","97.398","0.005","90","","979.5","0.4","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C10 H10 N18 O8 -","- C10 H10 N18 O8 -","- C20 H20 N36 O16 -","2","0.5","","Huang, Haifeng; Shi, Yameng; Liu, Yanfang; Yang, Jun","1,2,4,5-Dioxadiazine-functionalized [N-NO2](-) furazan energetic salts.","Dalton transactions (Cambridge, England : 2003)","2016","45","39","15382","","10.1039/c6dt02993k","","","0.71073","MoKα","","0.0592","0.0448","","","0.1085","0.116","","","","","","1.08","","","","has coordinates","187085","2020-10-21","18:00:00",""
"7040386","20.9317","0.001","8.5496","0.0005","43.116","0.002","90","","90","","90","","7715.9","0.7","100","2","100","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C37 H32 Cl2 Fe N10 O9 -","- C37 H32 Cl2 Fe N10 O9 -","- C296 H256 Cl16 Fe8 N80 O72 -","8","2","","Bartual-Murgui, C; Vela, S.; Roubeau, O.; Aromí, G","Designed intramolecular blocking of the spin crossover of an Fe(ii) complex.","Dalton transactions (Cambridge, England : 2003)","2016","45","36","14058","14062","10.1039/c6dt03047e","","","0.71073","MoKα","","0.1005","0.0769","","","0.1939","0.2125","","","","","","1.051","","","","has coordinates","188145","2020-10-21","18:00:00",""
"7040387","20.841","0.003","8.535","0.001","39.946","0.006","90","","90","","90","","7105.5","1.7","100","2","100","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C68 H54 Cl4 Fe2 N20 O17 -","- C68 H54 Cl4 Fe2 N20 O17 -","- C272 H216 Cl16 Fe8 N80 O68 -","4","1","","Bartual-Murgui, C; Vela, S.; Roubeau, O.; Aromí, G","Designed intramolecular blocking of the spin crossover of an Fe(ii) complex.","Dalton transactions (Cambridge, England : 2003)","2016","45","36","14058","14062","10.1039/c6dt03047e","","","0.71073","MoKα","","0.1033","0.078","","","0.1749","0.187","","","","","","1.112","","","","has coordinates,has disorder","188145","2020-10-21","18:00:00",""
"7040388","6.8463","0.0006","7.0274","0.0007","9.4044","0.0009","73.579","0.009","81.098","0.008","81.761","0.008","426.41","0.07","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- K2 O18 Te4 U3 -","- K2 O18 Te4 U3 -","- K2 O18 Te4 U3 -","1","0.5","","Xiao, Bin; Kegler, Philip; Bosbach, Dirk; Alekseev, Evgeny V.","Investigation of reactivity and structure formation in a K-Te-U oxo-system under high-temperature/high-pressure conditions.","Dalton transactions (Cambridge, England : 2003)","2016","45","38","15225","15235","10.1039/c6dt01350c","","","0.71073","MoKα","","0.0456","0.0377","","","0.0791","0.0886","","","","","","1.076","","","","has coordinates","188115","2020-10-21","18:00:00",""
"7040389","14.201","0.003","13.8632","0.0012","7.1186","0.0006","90","","113.761","0.014","90","","1282.7","0.3","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- K1.3 O7 Te U -","- K1.16 O7 Te U -","- K9.28 O56 Te8 U8 -","8","1","","Xiao, Bin; Kegler, Philip; Bosbach, Dirk; Alekseev, Evgeny V.","Investigation of reactivity and structure formation in a K-Te-U oxo-system under high-temperature/high-pressure conditions.","Dalton transactions (Cambridge, England : 2003)","2016","45","38","15225","15235","10.1039/c6dt01350c","","","0.71073","MoKα","","0.0258","0.0225","","","0.0511","0.0533","","","","","","0.995","","","","has coordinates","188115","2020-10-21","18:00:00",""
"7040390","7.9021","0.0006","10.1355","0.0009","8.5671","0.0007","90","","95.591","0.007","90","","682.89","0.1","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- K2 O7 Te U -","- K2 O7 Te U -","- K8 O28 Te4 U4 -","4","1","","Xiao, Bin; Kegler, Philip; Bosbach, Dirk; Alekseev, Evgeny V.","Investigation of reactivity and structure formation in a K-Te-U oxo-system under high-temperature/high-pressure conditions.","Dalton transactions (Cambridge, England : 2003)","2016","45","38","15225","15235","10.1039/c6dt01350c","","","1.54184","CuKα","","0.039","0.0344","","","0.0796","0.0832","","","","","","1.089","","","","has coordinates","188115","2020-10-21","18:00:00",""
"7040391","11.394","0.003","11.394","0.003","11.394","0.003","90","","90","","90","","1479.2","0.7","293","2","293","2","","","","","","","","4","P a -3","-P 2ac 2ab 3","205","","","","- K3.92 O64 Te24 U4 -","- K10.48 O64 Te24 U4 -","- K10.48 O64 Te24 U4 -","1","0.0416667","","Xiao, Bin; Kegler, Philip; Bosbach, Dirk; Alekseev, Evgeny V.","Investigation of reactivity and structure formation in a K-Te-U oxo-system under high-temperature/high-pressure conditions.","Dalton transactions (Cambridge, England : 2003)","2016","45","38","15225","15235","10.1039/c6dt01350c","","","0.71073","MoKα","","0.0313","0.0298","","","0.0672","0.068","","","","","","0.996","","","","has coordinates","188115","2020-10-21","18:00:00",""
"7040392","12.5748","0.0006","13.2268","0.0006","23.0171","0.0011","90","","90","","90","","3828.3","0.3","150","2","150","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C35 H37 F9 Ir N9 O3 -","- C35 H37 F9 Ir N9 O3 -","- C140 H148 F36 Ir4 N36 O12 -","4","1","","Kuei, Chu-Yun; Liu, Shih-Hung; Chou, Pi-Tai; Lee, Gene-Hsiang; Chi, Yun","Room temperature blue phosphorescence: a combined experimental and theoretical study on the bis-tridentate Ir(iii) metal complexes.","Dalton transactions (Cambridge, England : 2003)","2016","45","39","15364","","10.1039/c6dt02611g","","","0.71073","MoKα","","0.0388","0.0339","","","0.0646","0.0662","","","","","","1.02","","","","has coordinates,has disorder","187096","2020-10-21","18:00:00",""
"7040393","12.9983","0.0005","14.3534","0.0005","20.2708","0.0008","90","","90","","90","","3781.9","0.2","150","2","150","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C38 H37 Cl2 F5 Ir N7 -","- C38 H37 Cl2 F5 Ir N7 -","- C152 H148 Cl8 F20 Ir4 N28 -","4","1","","Kuei, Chu-Yun; Liu, Shih-Hung; Chou, Pi-Tai; Lee, Gene-Hsiang; Chi, Yun","Room temperature blue phosphorescence: a combined experimental and theoretical study on the bis-tridentate Ir(iii) metal complexes.","Dalton transactions (Cambridge, England : 2003)","2016","45","39","15364","","10.1039/c6dt02611g","","","0.71073","MoKα","","0.0367","0.0316","","","0.0652","0.067","","","","","","1.017","","","","has coordinates,has disorder","187096","2020-10-21","18:00:00",""
"7040394","11.3395","0.0004","15.5069","0.0005","19.0503","0.0007","74.4352","0.0011","85.0865","0.0012","89.9465","0.0012","3214.26","0.19","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C36 H27 F7 Ir N5 -","- C36 H27 F7 Ir N5 -","- C144 H108 F28 Ir4 N20 -","4","2","","Kuei, Chu-Yun; Liu, Shih-Hung; Chou, Pi-Tai; Lee, Gene-Hsiang; Chi, Yun","Room temperature blue phosphorescence: a combined experimental and theoretical study on the bis-tridentate Ir(iii) metal complexes.","Dalton transactions (Cambridge, England : 2003)","2016","45","39","15364","","10.1039/c6dt02611g","","","0.71073","MoKα","","0.0289","0.0214","","","0.0439","0.0461","","","","","","1.062","","","","has coordinates,has disorder","187096","2020-10-21","18:00:00",""
"7040395","9.7115","0.0004","9.7115","0.0004","16.254","0.0008","90","","90","","90","","1532.97","0.12","298","","298","","","","","","","","","4","I 4/m c m","-I 4 2c","140","","","","- B5 Cs3 H20 Mg -","- B5 Cs3 H20 Mg -","- B20 Cs12 H80 Mg4 -","4","0.125","","Wegner, W.; Jaroń, T; Dobrowolski, M. A.; Dobrzycki, Ł; Cyrański, M K; Grochala, W.","Organic derivatives of Mg(BH4)2 as precursors towards MgB2 and novel inorganic mixed-cation borohydrides.","Dalton transactions (Cambridge, England : 2003)","2016","45","36","14370","14377","10.1039/c6dt02239a","powder diffraction","x-ray","1.5418","CuKα","","0.0534","0.0497","","0.0501","0.0495","","","","1.13","","","","","","","has coordinates","187119","2020-10-21","18:00:00",""
"7040396","27.2332","0.0009","27.2332","0.0009","27.2332","0.0009","90","","90","","90","","20197.4","1.2","100","2","100","2","","","","","","","","5","P a -3","-P 2ac 2ab 3","205","","","","- C96 H353 B32 Mg16 O48 -","- C96 H338 B32 Mg16 O48 -","- C384 H1352 B128 Mg64 O192 -","4","0.166667","","Wegner, W.; Jaroń, T; Dobrowolski, M. A.; Dobrzycki, Ł; Cyrański, M K; Grochala, W.","Organic derivatives of Mg(BH4)2 as precursors towards MgB2 and novel inorganic mixed-cation borohydrides.","Dalton transactions (Cambridge, England : 2003)","2016","45","36","14370","14377","10.1039/c6dt02239a","","","1.54178","CuKα","","0.0791","0.0652","","","0.1931","0.2162","","","","","","1.038","","","","has coordinates,has disorder","187119","2020-10-21","18:00:00",""
"7040397","9.2996","0.0014","9.2996","0.0014","15.993","0.002","90","","90","","90","","1383.1","0.3","298","","298","","","","","","","","","4","I 4/m c m","-I 4 2c","140","","","","- B5 H20 Mg Rb3 -","- B5 H20 Mg Rb3 -","- B20 H80 Mg4 Rb12 -","4","0.125","","Wegner, W.; Jaroń, T; Dobrowolski, M. A.; Dobrzycki, Ł; Cyrański, M K; Grochala, W.","Organic derivatives of Mg(BH4)2 as precursors towards MgB2 and novel inorganic mixed-cation borohydrides.","Dalton transactions (Cambridge, England : 2003)","2016","45","36","14370","14377","10.1039/c6dt02239a","powder diffraction","x-ray","1.5418","CuKα","","0.0388","0.0364","","0.0294","0.0292","","","","1.34","","","","","","","has coordinates","187119","2020-10-21","18:00:00",""
"7040398","15.6669","0.0014","20.3997","0.0018","21.23","0.002","90","","109.255","0.002","90","","6405.6","1","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C32 H32 Co N O7 S -","- C32 H32 Co N O7 S -","- C256 H256 Co8 N8 O56 S8 -","8","1","","Shen, Kang; Qin, Ling; Zheng, He-Gen","Diverse structures of metal-organic frameworks via a side chain adjustment: interpenetration and gas adsorption.","Dalton transactions (Cambridge, England : 2003)","2016","45","41","16205","16210","10.1039/c6dt03086f","","","0.71073","MoKα","","0.0837","0.0585","","","0.1712","0.1839","","","","","","1.08","","","","has coordinates,has disorder","188158","2020-10-21","18:00:00",""
"7040399","15.7007","0.0006","20.4883","0.0008","21.3295","0.0009","90","","110.453","0.001","90","","6428.7","0.4","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C28 H26 Co N O8 S -","- C28 H26 Co N O8 S -","- C224 H208 Co8 N8 O64 S8 -","8","1","","Shen, Kang; Qin, Ling; Zheng, He-Gen","Diverse structures of metal-organic frameworks via a side chain adjustment: interpenetration and gas adsorption.","Dalton transactions (Cambridge, England : 2003)","2016","45","41","16205","16210","10.1039/c6dt03086f","","","0.71073","MoKα","","0.0844","0.0678","","","0.187","0.198","","","","","","1.021","","","","has coordinates","188158","2020-10-21","18:00:00",""
"7040400","9.8308","0.0013","13.1731","0.0017","13.3024","0.0017","76.88","0.002","85.184","0.002","89.477","0.002","1671.7","0.4","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C28 H25 Co N2 O8 S -","- C28 H25 Co N2 O8 S -","- C56 H50 Co2 N4 O16 S2 -","2","1","","Shen, Kang; Qin, Ling; Zheng, He-Gen","Diverse structures of metal-organic frameworks via a side chain adjustment: interpenetration and gas adsorption.","Dalton transactions (Cambridge, England : 2003)","2016","45","41","16205","16210","10.1039/c6dt03086f","","","0.71073","MoKα","","0.0554","0.0472","","","0.1494","0.1568","","","","","","1.098","","","","has coordinates","209501","2020-10-21","18:00:00",""
"7040401","10.905","0.0019","20.244","0.003","10.069","0.002","90","","90.655","0.003","90","","2222.7","0.7","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C23 H42 B N3 -","- C23 H42 B N3 -","- C92 H168 B4 N12 -","4","0.5","","Antiñolo, Antonio; Carrillo-Hermosilla, Fernando; Fernández-Galán, Rafael; Montero-Rama, María Pilar; Ramos, Alberto; Villaseñor, Elena; Rojas, Rene S.; Rodríguez-Diéguez, Antonio","Dialkylboron guanidinates: syntheses, structures and carbodiimide de-insertion reactions.","Dalton transactions (Cambridge, England : 2003)","2016","45","39","15350","","10.1039/c6dt02913b","","","0.71069","MoKα","","0.1555","0.1174","","","0.2958","0.3235","","","","","","1.03","","","","has coordinates","187092","2020-10-21","18:00:00",""
"7040402","9.6721","0.0004","9.9545","0.0004","12.9081","0.0005","80.504","0.002","81.237","0.002","62.372","0.002","1081.91","0.08","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C21 H42 B N3 -","- C21 H42 B N3 -","- C42 H84 B2 N6 -","2","1","","Antiñolo, Antonio; Carrillo-Hermosilla, Fernando; Fernández-Galán, Rafael; Montero-Rama, María Pilar; Ramos, Alberto; Villaseñor, Elena; Rojas, Rene S.; Rodríguez-Diéguez, Antonio","Dialkylboron guanidinates: syntheses, structures and carbodiimide de-insertion reactions.","Dalton transactions (Cambridge, England : 2003)","2016","45","39","15350","","10.1039/c6dt02913b","","","0.71069","MoKα","","0.0398","0.0359","","","0.0994","0.1025","","","","","","1.116","","","","has coordinates","187092","2020-10-21","18:00:00",""
"7040403","9.6645","0.0007","11.0217","0.0012","11.9242","0.0009","81.971","0.004","73.936","0.004","81.185","0.005","1199.8","0.18","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C25 H42 B N3 -","- C25 H42 B N3 -","- C50 H84 B2 N6 -","2","1","","Antiñolo, Antonio; Carrillo-Hermosilla, Fernando; Fernández-Galán, Rafael; Montero-Rama, María Pilar; Ramos, Alberto; Villaseñor, Elena; Rojas, Rene S.; Rodríguez-Diéguez, Antonio","Dialkylboron guanidinates: syntheses, structures and carbodiimide de-insertion reactions.","Dalton transactions (Cambridge, England : 2003)","2016","45","39","15350","","10.1039/c6dt02913b","","","0.71073","MoKα","","0.081","0.0542","","","0.1299","0.1442","","","","","","1.045","","","","has coordinates","187092","2020-10-21","18:00:00",""
"7040404","11.0277","0.0008","27.932","0.002","12.749","0.0007","90","","101.522","0.002","90","","3847.9","0.4","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C41 H71 B2 N3 -","- C41 H71 B2 N3 -","- C164 H284 B8 N12 -","4","1","","Antiñolo, Antonio; Carrillo-Hermosilla, Fernando; Fernández-Galán, Rafael; Montero-Rama, María Pilar; Ramos, Alberto; Villaseñor, Elena; Rojas, Rene S.; Rodríguez-Diéguez, Antonio","Dialkylboron guanidinates: syntheses, structures and carbodiimide de-insertion reactions.","Dalton transactions (Cambridge, England : 2003)","2016","45","39","15350","","10.1039/c6dt02913b","","","0.71073","MoKα","","0.1851","0.0914","","","0.1446","0.1726","","","","","","1.074","","","","has coordinates","187092","2020-10-21","18:00:00",""
"7040405","12.1875","0.0009","12.1875","0.0009","12.3911","0.001","90","","90","","120","","1593.9","0.2","296","2","296.15","","101.325","","","","","","","2","R -3 c","-R 3 2""c","167","","Zinc antimonide","","- Sb30 Zn38.41 -","- Sb30 Zn38.412 -","- Sb30 Zn38.412 -","1","","","Borup, Mette Andersen; Blichfeld, Anders Bank; Madsen, Solveig Røgild; Iversen, Bo Brummerstedt","High-pressure single crystal X-ray diffraction study of thermoelectric ZnSb and β-Zn4Sb3.","Dalton transactions (Cambridge, England : 2003)","2016","45","38","15097","15103","10.1039/c6dt02323a","","","0.56086","AgKα","","0.0315","0.0273","","","0.0638","0.0664","","","","","","1.117","","","","has coordinates,has disorder","188118","2020-10-21","18:00:00",""
"7040406","12.0979","0.0008","12.0979","0.0008","12.3097","0.0015","90","","90","","120","","1560.3","0.2","296","2","296.15","","1040000","20000","","","","","","2","R -3 c","-R 3 2""c","167","","Zinc antimonide","","- Sb30 Zn38.45 -","- Sb30 Zn38.448 -","- Sb30 Zn38.448 -","1","","","Borup, Mette Andersen; Blichfeld, Anders Bank; Madsen, Solveig Røgild; Iversen, Bo Brummerstedt","High-pressure single crystal X-ray diffraction study of thermoelectric ZnSb and β-Zn4Sb3.","Dalton transactions (Cambridge, England : 2003)","2016","45","38","15097","15103","10.1039/c6dt02323a","","","0.56086","AgKα","","0.0567","0.0402","","","0.0855","0.0915","","","","","","1.119","","","","has coordinates,has disorder","188118","2020-10-21","18:00:00",""
"7040407","12.0329","0.0012","12.0329","0.0012","12.268","0.002","90","","90","","120","","1538.3","0.3","296","2","296.15","","1810000","30000","","","","","","2","R -3 c","-R 3 2""c","167","","Zinc antimonide","","- Sb30 Zn38.43 -","- Sb30 Zn38.43 -","- Sb30 Zn38.43 -","1","","","Borup, Mette Andersen; Blichfeld, Anders Bank; Madsen, Solveig Røgild; Iversen, Bo Brummerstedt","High-pressure single crystal X-ray diffraction study of thermoelectric ZnSb and β-Zn4Sb3.","Dalton transactions (Cambridge, England : 2003)","2016","45","38","15097","15103","10.1039/c6dt02323a","","","0.56086","AgKα","","0.0508","0.0336","","","0.0672","0.0724","","","","","","1.068","","","","has coordinates,has disorder","188118","2020-10-21","18:00:00",""
"7040408","11.9765","0.0013","11.9765","0.0013","12.218","0.003","90","","90","","120","","1517.7","0.4","296","2","296.15","","2730000","50000","","","","","","2","R -3 c","-R 3 2""c","167","","Zinc antimonide","","- Sb30 Zn38.45 -","- Sb30 Zn38.448 -","- Sb30 Zn38.448 -","1","","","Borup, Mette Andersen; Blichfeld, Anders Bank; Madsen, Solveig Røgild; Iversen, Bo Brummerstedt","High-pressure single crystal X-ray diffraction study of thermoelectric ZnSb and β-Zn4Sb3.","Dalton transactions (Cambridge, England : 2003)","2016","45","38","15097","15103","10.1039/c6dt02323a","","","0.56086","AgKα","","0.0601","0.0361","","","0.1037","0.1136","","","","","","1.095","","","","has coordinates,has disorder","188118","2020-10-21","18:00:00",""
"7040409","11.9413","0.0012","11.9413","0.0012","12.196","0.002","90","","90","","120","","1506.1","0.3","296","2","296.15","","3310000","50000","","","","","","2","R -3 c","-R 3 2""c","167","","Zinc antimonide","","- Sb30 Zn38.48 -","- Sb30 Zn38.484 -","- Sb30 Zn38.484 -","1","","","Borup, Mette Andersen; Blichfeld, Anders Bank; Madsen, Solveig Røgild; Iversen, Bo Brummerstedt","High-pressure single crystal X-ray diffraction study of thermoelectric ZnSb and β-Zn4Sb3.","Dalton transactions (Cambridge, England : 2003)","2016","45","38","15097","15103","10.1039/c6dt02323a","","","0.56086","AgKα","","0.0697","0.0394","","","0.0743","0.0854","","","","","","1.124","","","","has coordinates,has disorder","188118","2020-10-21","18:00:00",""
"7040410","11.8545","0.0012","11.8545","0.0012","12.125","0.002","90","","90","","120","","1475.6","0.3","296","2","296.15","","4780000","70000","","","","","","2","R -3 c","-R 3 2""c","167","","Zinc antimonide","","- Sb30 Zn38.45 -","- Sb30 Zn38.448 -","- Sb30 Zn38.448 -","1","","","Borup, Mette Andersen; Blichfeld, Anders Bank; Madsen, Solveig Røgild; Iversen, Bo Brummerstedt","High-pressure single crystal X-ray diffraction study of thermoelectric ZnSb and β-Zn4Sb3.","Dalton transactions (Cambridge, England : 2003)","2016","45","38","15097","15103","10.1039/c6dt02323a","","","0.56086","AgKα","","0.0755","0.0423","","","0.0793","0.0888","","","","","","1.137","","","","has coordinates,has disorder","188118","2020-10-21","18:00:00",""
"7040411","11.7644","0.0012","11.7644","0.0012","12.058","0.002","90","","90","","120","","1445.3","0.3","296","2","296.15","","6340000","100000","","","","","","2","R -3 c","-R 3 2""c","167","","Zinc antimonide","","- Sb30 Zn38.45 -","- Sb30 Zn38.448 -","- Sb30 Zn38.448 -","1","","","Borup, Mette Andersen; Blichfeld, Anders Bank; Madsen, Solveig Røgild; Iversen, Bo Brummerstedt","High-pressure single crystal X-ray diffraction study of thermoelectric ZnSb and β-Zn4Sb3.","Dalton transactions (Cambridge, England : 2003)","2016","45","38","15097","15103","10.1039/c6dt02323a","","","0.56086","AgKα","","0.0646","0.0447","","","0.0796","0.0838","","","","","","1.126","","","","has coordinates,has disorder","188118","2020-10-21","18:00:00",""
"7040412","11.7293","0.0014","11.7293","0.0014","12.029","0.003","90","","90","","120","","1433.2","0.4","296","2","296.15","","7020000","110000","","","","","","2","R -3 c","-R 3 2""c","167","","Zinc antimonide","","- Sb30 Zn38.48 -","- Sb30 Zn38.484 -","- Sb30 Zn38.484 -","1","","","Borup, Mette Andersen; Blichfeld, Anders Bank; Madsen, Solveig Røgild; Iversen, Bo Brummerstedt","High-pressure single crystal X-ray diffraction study of thermoelectric ZnSb and β-Zn4Sb3.","Dalton transactions (Cambridge, England : 2003)","2016","45","38","15097","15103","10.1039/c6dt02323a","","","0.56086","AgKα","","0.0835","0.0469","","","0.1051","0.1116","","","","","","1.045","","","","has coordinates,has disorder","188118","2020-10-21","18:00:00",""
"7040413","11.6998","0.0012","11.6998","0.0012","12.005","0.002","90","","90","","120","","1423.1","0.3","296","2","296.15","","7590000","120000","","","","","","2","R -3 c","-R 3 2""c","167","","Zinc antimonide","","- Sb30 Zn38.48 -","- Sb30 Zn38.484 -","- Sb30 Zn38.484 -","1","","","Borup, Mette Andersen; Blichfeld, Anders Bank; Madsen, Solveig Røgild; Iversen, Bo Brummerstedt","High-pressure single crystal X-ray diffraction study of thermoelectric ZnSb and β-Zn4Sb3.","Dalton transactions (Cambridge, England : 2003)","2016","45","38","15097","15103","10.1039/c6dt02323a","","","0.56086","AgKα","","0.0528","0.0362","","","0.0765","0.0811","","","","","","1.247","","","","has coordinates,has disorder","188118","2020-10-21","18:00:00",""
"7040414","11.6736","0.0014","11.6736","0.0014","11.989","0.003","90","","90","","120","","1414.9","0.4","296","2","296.15","","8130000","120000","","","","","","2","R -3 c","-R 3 2""c","167","","Zinc antimonide","","- Sb30 Zn38.48 -","- Sb30 Zn38.484 -","- Sb30 Zn38.484 -","1","","","Borup, Mette Andersen; Blichfeld, Anders Bank; Madsen, Solveig Røgild; Iversen, Bo Brummerstedt","High-pressure single crystal X-ray diffraction study of thermoelectric ZnSb and β-Zn4Sb3.","Dalton transactions (Cambridge, England : 2003)","2016","45","38","15097","15103","10.1039/c6dt02323a","","","0.56086","AgKα","","0.0689","0.0531","","","0.1639","0.2215","","","","","","1.26","","","","has coordinates,has disorder","188118","2020-10-21","18:00:00",""
"7040415","11.6523","0.0013","11.6523","0.0013","11.972","0.003","90","","90","","120","","1407.7","0.4","296","2","296.15","","8470000","130000","","","","","","2","R -3 c","-R 3 2""c","167","","Zinc antimonide","","- Sb30 Zn38.45 -","- Sb30 Zn38.448 -","- Sb30 Zn38.448 -","1","","","Borup, Mette Andersen; Blichfeld, Anders Bank; Madsen, Solveig Røgild; Iversen, Bo Brummerstedt","High-pressure single crystal X-ray diffraction study of thermoelectric ZnSb and β-Zn4Sb3.","Dalton transactions (Cambridge, England : 2003)","2016","45","38","15097","15103","10.1039/c6dt02323a","","","0.56086","AgKα","","0.0605","0.0436","","","0.0878","0.1034","","","","","","1.287","","","","has coordinates,has disorder","188118","2020-10-21","18:00:00",""
"7040416","11.6305","0.0013","11.6305","0.0013","11.956","0.002","90","","90","","120","","1400.6","0.3","296","2","296.15","","8890000","140000","","","","","","2","R -3 c","-R 3 2""c","167","","Zinc antimonide","","- Sb30 Zn38.41 -","- Sb30 Zn38.412 -","- Sb30 Zn38.412 -","1","","","Borup, Mette Andersen; Blichfeld, Anders Bank; Madsen, Solveig Røgild; Iversen, Bo Brummerstedt","High-pressure single crystal X-ray diffraction study of thermoelectric ZnSb and β-Zn4Sb3.","Dalton transactions (Cambridge, England : 2003)","2016","45","38","15097","15103","10.1039/c6dt02323a","","","0.56086","AgKα","","0.0688","0.0519","","","0.1458","0.1557","","","","","","1.282","","","","has coordinates,has disorder","188118","2020-10-21","18:00:00",""
"7040417","11.655","0.002","11.655","0.002","11.975","0.005","90","","90","","120","","1408.7","0.7","296","2","296.15","","7450000","130000","","","","","","2","R -3 c","-R 3 2""c","167","","Zinc antimonide","","- Sb30 Zn38.34 -","- Sb30 Zn38.34 -","- Sb30 Zn38.34 -","1","","","Borup, Mette Andersen; Blichfeld, Anders Bank; Madsen, Solveig Røgild; Iversen, Bo Brummerstedt","High-pressure single crystal X-ray diffraction study of thermoelectric ZnSb and β-Zn4Sb3.","Dalton transactions (Cambridge, England : 2003)","2016","45","38","15097","15103","10.1039/c6dt02323a","","","0.56086","AgKα","","0.0788","0.056","","","0.1388","0.1998","","","","","","1.325","","","","has coordinates,has disorder","188118","2020-10-21","18:00:00",""
"7040418","11.672","0.0013","11.672","0.0013","11.993","0.002","90","","90","","120","","1415","0.3","296","2","296.15","","7690000","140000","","","","","","2","R -3 c","-R 3 2""c","167","","Zinc antimonide","","- Sb30 Zn38.41 -","- Sb30 Zn38.448 -","- Sb30 Zn38.448 -","1","","","Borup, Mette Andersen; Blichfeld, Anders Bank; Madsen, Solveig Røgild; Iversen, Bo Brummerstedt","High-pressure single crystal X-ray diffraction study of thermoelectric ZnSb and β-Zn4Sb3.","Dalton transactions (Cambridge, England : 2003)","2016","45","38","15097","15103","10.1039/c6dt02323a","","","0.56086","AgKα","","0.0761","0.0576","","","0.1278","0.179","","","","","","1.276","","","","has coordinates,has disorder","188118","2020-10-21","18:00:00",""
"7040419","11.6306","0.0014","11.6306","0.0014","11.957","0.003","90","","90","","120","","1400.7","0.4","296","2","296.15","","8690000","130000","","","","","","2","R -3 c","-R 3 2""c","167","","Zinc antimonide","","- Sb30 Zn38.59 -","- Sb30 Zn38.592 -","- Sb30 Zn38.592 -","1","","","Borup, Mette Andersen; Blichfeld, Anders Bank; Madsen, Solveig Røgild; Iversen, Bo Brummerstedt","High-pressure single crystal X-ray diffraction study of thermoelectric ZnSb and β-Zn4Sb3.","Dalton transactions (Cambridge, England : 2003)","2016","45","38","15097","15103","10.1039/c6dt02323a","","","0.56086","AgKα","","0.0762","0.0566","","","0.1128","0.163","","","","","","1.251","","","","has coordinates,has disorder","188118","2020-10-21","18:00:00",""
"7040420","11.5954","0.0013","11.5954","0.0013","11.926","0.003","90","","90","","120","","1388.7","0.4","296","2","296.15","","9510000","150000","","","","","","2","R -3 c","-R 3 2""c","167","","Zinc antimonide","","- Sb30 Zn38.45 -","- Sb30 Zn38.448 -","- Sb30 Zn38.448 -","1","","","Borup, Mette Andersen; Blichfeld, Anders Bank; Madsen, Solveig Røgild; Iversen, Bo Brummerstedt","High-pressure single crystal X-ray diffraction study of thermoelectric ZnSb and β-Zn4Sb3.","Dalton transactions (Cambridge, England : 2003)","2016","45","38","15097","15103","10.1039/c6dt02323a","","","0.56086","AgKα","","0.0521","0.0415","","","0.0853","0.0874","","","","","","1.268","","","","has coordinates,has disorder","188118","2020-10-21","18:00:00",""
"7040421","11.583","0.003","11.583","0.003","11.948","0.006","90","","90","","120","","1388.3","0.9","296","2","296.15","","10190000","160000","","","","","","2","R -3 c","-R 3 2""c","167","","Zinc antimonide","","- Sb30 Zn38.45 -","- Sb30 Zn38.448 -","- Sb30 Zn38.448 -","1","","","Borup, Mette Andersen; Blichfeld, Anders Bank; Madsen, Solveig Røgild; Iversen, Bo Brummerstedt","High-pressure single crystal X-ray diffraction study of thermoelectric ZnSb and β-Zn4Sb3.","Dalton transactions (Cambridge, England : 2003)","2016","45","38","15097","15103","10.1039/c6dt02323a","","","0.56086","AgKα","","0.0942","0.0874","","","0.2484","0.254","","","","","","1.296","","","","has coordinates,has disorder","188118","2020-10-21","18:00:00",""
"7040422","12.2036","0.0018","12.2036","0.0018","12.38","0.002","90","","90","","120","","1596.7","0.4","296","2","296.15","","101.325","","","","","","","2","R -3 c","-R 3 2""c","167","","Zinc antimonide","","- Sb30 Zn38.38 -","- Sb30 Zn38.412 -","- Sb30 Zn38.412 -","1","","","Borup, Mette Andersen; Blichfeld, Anders Bank; Madsen, Solveig Røgild; Iversen, Bo Brummerstedt","High-pressure single crystal X-ray diffraction study of thermoelectric ZnSb and β-Zn4Sb3.","Dalton transactions (Cambridge, England : 2003)","2016","45","38","15097","15103","10.1039/c6dt02323a","","","0.56086","AgKα","","0.041","0.031","","","0.0632","0.0689","","","","","","1.194","","","","has coordinates,has disorder","188118","2020-10-21","18:00:00",""
"7040423","12.2236","0.0016","12.2236","0.0016","12.4338","0.0018","90","","90","","120","","1608.9","0.4","296","2","296.15","","70000","10000","","","","","","2","R -3 c","-R 3 2""c","167","","Zinc antimonide","","- Sb30 Zn38.43 -","- Sb30 Zn38.376 -","- Sb30 Zn38.376 -","1","","","Borup, Mette Andersen; Blichfeld, Anders Bank; Madsen, Solveig Røgild; Iversen, Bo Brummerstedt","High-pressure single crystal X-ray diffraction study of thermoelectric ZnSb and β-Zn4Sb3.","Dalton transactions (Cambridge, England : 2003)","2016","45","38","15097","15103","10.1039/c6dt02323a","","","0.56086","AgKα","","0.0659","0.0523","","","0.1101","0.1165","","","","","","1.099","","","","has coordinates,has disorder","188118","2020-10-21","18:00:00",""
"7040424","12.1567","0.0013","12.1567","0.0013","12.3689","0.0013","90","","90","","120","","1583","0.3","296","2","296.15","","800000","20000","","","","","","2","R -3 c","-R 3 2""c","167","","Zinc antimonide","","- Sb30 Zn38.38 -","- Sb30 Zn38.376 -","- Sb30 Zn38.376 -","1","","","Borup, Mette Andersen; Blichfeld, Anders Bank; Madsen, Solveig Røgild; Iversen, Bo Brummerstedt","High-pressure single crystal X-ray diffraction study of thermoelectric ZnSb and β-Zn4Sb3.","Dalton transactions (Cambridge, England : 2003)","2016","45","38","15097","15103","10.1039/c6dt02323a","","","0.56086","AgKα","","0.0541","0.0283","","","0.0489","0.0557","","","","","","0.995","","","","has coordinates,has disorder","188118","2020-10-21","18:00:00",""
"7040425","12.1314","0.0012","12.1314","0.0012","12.3509","0.0013","90","","90","","120","","1574.2","0.3","296","2","296.15","","1120000","20000","","","","","","2","R -3 c","-R 3 2""c","167","","Zinc antimonide","","- Sb30 Zn38.42 -","- Sb30 Zn38.448 -","- Sb30 Zn38.448 -","1","","","Borup, Mette Andersen; Blichfeld, Anders Bank; Madsen, Solveig Røgild; Iversen, Bo Brummerstedt","High-pressure single crystal X-ray diffraction study of thermoelectric ZnSb and β-Zn4Sb3.","Dalton transactions (Cambridge, England : 2003)","2016","45","38","15097","15103","10.1039/c6dt02323a","","","0.56086","AgKα","","0.0523","0.0309","","","0.0555","0.0612","","","","","","1.026","","","","has coordinates,has disorder","188118","2020-10-21","18:00:00",""
"7040426","12.115","0.0014","12.115","0.0014","12.338","0.0015","90","","90","","120","","1568.3","0.3","296","2","296.15","","1490000","30000","","","","","","2","R -3 c","-R 3 2""c","167","","Zinc antimonide","","- Sb30 Zn38.44 -","- Sb30 Zn38.448 -","- Sb30 Zn38.448 -","1","","","Borup, Mette Andersen; Blichfeld, Anders Bank; Madsen, Solveig Røgild; Iversen, Bo Brummerstedt","High-pressure single crystal X-ray diffraction study of thermoelectric ZnSb and β-Zn4Sb3.","Dalton transactions (Cambridge, England : 2003)","2016","45","38","15097","15103","10.1039/c6dt02323a","","","0.56086","AgKα","","0.0673","0.0401","","","0.078","0.0874","","","","","","1.057","","","","has coordinates,has disorder","188118","2020-10-21","18:00:00",""
"7040427","12.083","0.0015","12.083","0.0015","12.3094","0.0015","90","","90","","120","","1556.4","0.3","296","2","296.15","","1840000","30000","","","","","","2","R -3 c","-R 3 2""c","167","","Zinc antimonide","","- Sb30 Zn38.45 -","- Sb30 Zn38.412 -","- Sb30 Zn38.412 -","1","","","Borup, Mette Andersen; Blichfeld, Anders Bank; Madsen, Solveig Røgild; Iversen, Bo Brummerstedt","High-pressure single crystal X-ray diffraction study of thermoelectric ZnSb and β-Zn4Sb3.","Dalton transactions (Cambridge, England : 2003)","2016","45","38","15097","15103","10.1039/c6dt02323a","","","0.56086","AgKα","","0.116","0.0771","","","0.1963","0.238","","","","","","1.001","","","","has coordinates,has disorder","188118","2020-10-21","18:00:00",""
"7040428","12.0867","0.0014","12.0867","0.0014","12.3073","0.0015","90","","90","","120","","1557.1","0.3","296","2","296.15","","1970000","30000","","","","","","2","R -3 c","-R 3 2""c","167","","Zinc antimonide","","- Sb30 Zn38.45 -","- Sb30 Zn38.448 -","- Sb30 Zn38.448 -","1","","","Borup, Mette Andersen; Blichfeld, Anders Bank; Madsen, Solveig Røgild; Iversen, Bo Brummerstedt","High-pressure single crystal X-ray diffraction study of thermoelectric ZnSb and β-Zn4Sb3.","Dalton transactions (Cambridge, England : 2003)","2016","45","38","15097","15103","10.1039/c6dt02323a","","","0.56086","AgKα","","0.0733","0.044","","","0.0956","0.1096","","","","","","1.031","","","","has coordinates,has disorder","188118","2020-10-21","18:00:00",""
"7040429","12.0695","0.0016","12.0695","0.0016","12.2935","0.0018","90","","90","","120","","1550.9","0.4","296","2","296.15","","2450000","40000","","","","","","2","R -3 c","-R 3 2""c","167","","Zinc antimonide","","- Sb30 Zn38.45 -","- Sb30 Zn38.484 -","- Sb30 Zn38.484 -","1","","","Borup, Mette Andersen; Blichfeld, Anders Bank; Madsen, Solveig Røgild; Iversen, Bo Brummerstedt","High-pressure single crystal X-ray diffraction study of thermoelectric ZnSb and β-Zn4Sb3.","Dalton transactions (Cambridge, England : 2003)","2016","45","38","15097","15103","10.1039/c6dt02323a","","","0.56086","AgKα","","0.0761","0.0458","","","0.0956","0.106","","","","","","1.065","","","","has coordinates,has disorder","188118","2020-10-21","18:00:00",""
"7040430","11.9732","0.0018","11.9732","0.0018","12.2314","0.0019","90","","90","","120","","1518.5","0.4","296","2","296.15","","3880000","60000","","","","","","2","R -3 c","-R 3 2""c","167","","Zinc antimonide","","- Sb30 Zn38.44 -","- Sb30 Zn38.448 -","- Sb30 Zn38.448 -","1","","","Borup, Mette Andersen; Blichfeld, Anders Bank; Madsen, Solveig Røgild; Iversen, Bo Brummerstedt","High-pressure single crystal X-ray diffraction study of thermoelectric ZnSb and β-Zn4Sb3.","Dalton transactions (Cambridge, England : 2003)","2016","45","38","15097","15103","10.1039/c6dt02323a","","","0.56086","AgKα","","0.1152","0.0841","","","0.2044","0.2229","","","","","","1.121","","","","has coordinates,has disorder","188118","2020-10-21","18:00:00",""
"7040431","11.9212","0.0014","11.9212","0.0014","12.1862","0.0017","90","","90","","120","","1499.8","0.3","296","2","296.15","","4170000","60000","","","","","","2","R -3 c","-R 3 2""c","167","","Zinc antimonide","","- Sb30 Zn38.46 -","- Sb30 Zn38.448 -","- Sb30 Zn38.448 -","1","","","Borup, Mette Andersen; Blichfeld, Anders Bank; Madsen, Solveig Røgild; Iversen, Bo Brummerstedt","High-pressure single crystal X-ray diffraction study of thermoelectric ZnSb and β-Zn4Sb3.","Dalton transactions (Cambridge, England : 2003)","2016","45","38","15097","15103","10.1039/c6dt02323a","","","0.56086","AgKα","","0.0712","0.0538","","","0.1252","0.1342","","","","","","1.125","","","","has coordinates,has disorder","188118","2020-10-21","18:00:00",""
"7040432","11.9197","0.0017","11.9197","0.0017","12.186","0.002","90","","90","","120","","1499.4","0.4","296","2","296.15","","4310000","70000","","","","","","2","R -3 c","-R 3 2""c","167","","Zinc antimonide","","- Sb30 Zn38.46 -","- Sb30 Zn38.448 -","- Sb30 Zn38.448 -","1","","","Borup, Mette Andersen; Blichfeld, Anders Bank; Madsen, Solveig Røgild; Iversen, Bo Brummerstedt","High-pressure single crystal X-ray diffraction study of thermoelectric ZnSb and β-Zn4Sb3.","Dalton transactions (Cambridge, England : 2003)","2016","45","38","15097","15103","10.1039/c6dt02323a","","","0.56086","AgKα","","0.0741","0.0583","","","0.1443","0.1544","","","","","","1.087","","","","has coordinates,has disorder","188118","2020-10-21","18:00:00",""
"7040433","11.8767","0.0019","11.8767","0.0019","12.155","0.002","90","","90","","120","","1484.8","0.4","296","2","296.15","","5180000","80000","","","","","","2","R -3 c","-R 3 2""c","167","","Zinc antimonide","","- Sb30 Zn38.45 -","- Sb30 Zn38.448 -","- Sb30 Zn38.448 -","1","","","Borup, Mette Andersen; Blichfeld, Anders Bank; Madsen, Solveig Røgild; Iversen, Bo Brummerstedt","High-pressure single crystal X-ray diffraction study of thermoelectric ZnSb and β-Zn4Sb3.","Dalton transactions (Cambridge, England : 2003)","2016","45","38","15097","15103","10.1039/c6dt02323a","","","0.56086","AgKα","","0.0894","0.0711","","","0.1761","0.1852","","","","","","1.176","","","","has coordinates,has disorder","188118","2020-10-21","18:00:00",""
"7040434","11.8464","0.0018","11.8464","0.0018","12.132","0.002","90","","90","","120","","1474.5","0.4","296","2","296.15","","6030000","90000","","","","","","2","R -3 c","-R 3 2""c","167","","Zinc antimonide","","- Sb30 Zn38.45 -","- Sb30 Zn38.448 -","- Sb30 Zn38.448 -","1","","","Borup, Mette Andersen; Blichfeld, Anders Bank; Madsen, Solveig Røgild; Iversen, Bo Brummerstedt","High-pressure single crystal X-ray diffraction study of thermoelectric ZnSb and β-Zn4Sb3.","Dalton transactions (Cambridge, England : 2003)","2016","45","38","15097","15103","10.1039/c6dt02323a","","","0.56086","AgKα","","0.0966","0.0753","","","0.2025","0.216","","","","","","1.228","","","","has coordinates,has disorder","188118","2020-10-21","18:00:00",""
"7040435","13.8873","0.0002","16.1982","0.0003","17.541","0.0003","90.499","0.001","108.881","0.001","94.53","0.001","3719.4","0.11","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C36 H27 Cu3 N8 O11 -","- C36 H27 Cu3 N8 O11 -","- C144 H108 Cu12 N32 O44 -","4","2","","Chakraborty, Anindita; Escuer, Albert; Ribas, Joan; Maji, Tapas Kumar","A discrete Cu cluster and a 3D Mn(II)-Cu(II) framework based on assembly of Mn2Cu4 clusters: synthesis, structure and magnetic properties.","Dalton transactions (Cambridge, England : 2003)","2016","45","39","15523","15531","10.1039/c6dt03094g","","","0.71073","MoKα","","0.0734","0.0399","","","0.0994","0.1186","","","","","","0.913","","","","has coordinates","192220","2020-10-21","18:00:00",""
"7040436","19.165","0.005","19.165","0.006","18.967","0.004","90","","90","","90","","6967","3","298","2","298","2","","","","","","","","6","P 43 21 2","P 4nw 2abw","96","","","","- C33 H26 Cu2 Mn N10 O10 -","- C33 H26 Cu2 Mn N10 O10 -","- C264 H208 Cu16 Mn8 N80 O80 -","8","1","","Chakraborty, Anindita; Escuer, Albert; Ribas, Joan; Maji, Tapas Kumar","A discrete Cu cluster and a 3D Mn(II)-Cu(II) framework based on assembly of Mn2Cu4 clusters: synthesis, structure and magnetic properties.","Dalton transactions (Cambridge, England : 2003)","2016","45","39","15523","15531","10.1039/c6dt03094g","","","0.71073","MoKα","","0.0478","0.0316","","","0.0645","0.0699","","","","","","1.039","","","","has coordinates,has disorder","188133","2020-10-21","18:00:00",""
"7040437","20.7872","0.0003","20.7872","0.0003","11.329","0.0002","90","","90","","90","","4895.35","0.13","105","1","105","1","","","","","","","","5","I 41/a :1","I 4bw -1bw","88","","","","- C24 H48 Co6 K4 O44 -","- C24 H48 Co6 K4 O44 -","- C96 H192 Co24 K16 O176 -","4","0.25","","Campo, J.; Falvello, L. R.; Forcén-Vázquez, E; Sáenz de Pipaón, C; Palacio, F.; Tomás, M","A symmetric, triply interlaced 3-D anionic MOF that exhibits both magnetic order and SMM behaviour.","Dalton transactions (Cambridge, England : 2003)","2016","45","42","16764","16768","10.1039/c6dt02652d","","","0.71073","MoKα","","0.0301","0.0294","","","0.073","0.0734","","","","","","1.139","","","","has coordinates","188243","2020-10-21","18:00:00",""
"7040438","20.3927","0.0015","11.1794","0.0008","17.9721","0.0013","90","","119.214","0.002","90","","3576.1","0.5","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C25 H36 N4 O15 Ru3 -","- C25 H36 N4 O15 Ru3 -","- C100 H144 N16 O60 Ru12 -","4","0.5","","Moreira, Mariete B.; Da Silva, Camila F. N.; Pesci, Rafaela B. P.; Deflon, Victor M.; Nikolaou, Sofia","Revisiting oxo-centered carbonyl-triruthenium clusters: investigating CO photorelease and some spectroscopic and electrochemical correlations.","Dalton transactions (Cambridge, England : 2003)","2016","45","42","16799","16809","10.1039/c6dt02511k","","","0.71073","MoKα","","0.0587","0.0446","","","0.0957","0.1093","","","","","","1.201","","","","has coordinates","188247","2020-10-21","18:00:00",""
"7040439","13.3193","0.0004","22.2592","0.0008","14.4161","0.0005","90","","111.062","0.001","90","","3988.5","0.2","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C29 H42 Cl2 N4 O14 Ru3 -","- C29 H42 Cl2 N4 O14 Ru3 -","- C116 H168 Cl8 N16 O56 Ru12 -","4","1","","Moreira, Mariete B.; Da Silva, Camila F. N.; Pesci, Rafaela B. P.; Deflon, Victor M.; Nikolaou, Sofia","Revisiting oxo-centered carbonyl-triruthenium clusters: investigating CO photorelease and some spectroscopic and electrochemical correlations.","Dalton transactions (Cambridge, England : 2003)","2016","45","42","16799","16809","10.1039/c6dt02511k","","","0.71073","MoKα","","0.0831","0.0428","","","0.0952","0.1141","","","","","","1.02","","","","has coordinates","188247","2020-10-21","18:00:00",""
"7040440","19.2404","0.0004","19.8237","0.0004","8.2389","0.0002","90","","90","","90","","3142.45","0.12","296","2","296","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C23 H30 N4 O14 Ru3 -","- C23 H30 N4 O14 Ru3 -","- C92 H120 N16 O56 Ru12 -","4","0.5","","Moreira, Mariete B.; Da Silva, Camila F. N.; Pesci, Rafaela B. P.; Deflon, Victor M.; Nikolaou, Sofia","Revisiting oxo-centered carbonyl-triruthenium clusters: investigating CO photorelease and some spectroscopic and electrochemical correlations.","Dalton transactions (Cambridge, England : 2003)","2016","45","42","16799","16809","10.1039/c6dt02511k","","","0.71073","MoKα","","0.0455","0.0275","","","0.0553","0.0617","","","","","","1.009","","","","has coordinates","188247","2020-10-21","18:00:00",""
"7040441","19.5604","0.0007","14.3327","0.0005","14.842","0.0005","90","","100.143","0.002","90","","4096","0.2","270","2","270","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C24 H48 Cl3 N6 O21 Sm -","- C24 H48 Cl3 N6 O21 Sm -","- C96 H192 Cl12 N24 O84 Sm4 -","4","0.5","","Kou, Fei; Yang, Suliang; Qian, Hongjuan; Zhang, Lihua; Beavers, Christine M.; Teat, Simon J.; Tian, Guoxin","A fluorescence study on the complexation of Sm(iii), Eu(iii) and Tb(iii) with tetraalkyldiglycolamides (TRDGA) in aqueous solution, in solid state, and in solvent extraction.","Dalton transactions (Cambridge, England : 2003)","2016","45","46","18484","18493","10.1039/c6dt02930b","","","0.7749","synchrotron","","0.0425","0.0334","","","0.0856","0.0917","","","","","","1.027","","","","has coordinates,has disorder","190122","2020-10-21","18:00:00",""
"7040442","19.49","0.003","14.339","0.002","14.811","0.002","90","","100.191","0.002","90","","4073.9","1","270","2","270","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C24 H48 Cl3 Eu N6 O21 -","- C24 H48 Cl3 Eu N6 O21 -","- C96 H192 Cl12 Eu4 N24 O84 -","4","0.5","","Kou, Fei; Yang, Suliang; Qian, Hongjuan; Zhang, Lihua; Beavers, Christine M.; Teat, Simon J.; Tian, Guoxin","A fluorescence study on the complexation of Sm(iii), Eu(iii) and Tb(iii) with tetraalkyldiglycolamides (TRDGA) in aqueous solution, in solid state, and in solvent extraction.","Dalton transactions (Cambridge, England : 2003)","2016","45","46","18484","18493","10.1039/c6dt02930b","","","0.7749","synchrotron","","0.0457","0.0356","","","0.0891","0.0954","","","","","","1.016","","","","has coordinates,has disorder","190122","2020-10-21","18:00:00",""
"7040443","19.469","0.003","14.456","0.002","14.717","0.002","90","","100.331","0.002","90","","4074.9","1","270","2","270","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C24 H48 Cl3 N6 O21 Tb -","- C24 H48 Cl3 N6 O21 Tb -","- C96 H192 Cl12 N24 O84 Tb4 -","4","0.5","","Kou, Fei; Yang, Suliang; Qian, Hongjuan; Zhang, Lihua; Beavers, Christine M.; Teat, Simon J.; Tian, Guoxin","A fluorescence study on the complexation of Sm(iii), Eu(iii) and Tb(iii) with tetraalkyldiglycolamides (TRDGA) in aqueous solution, in solid state, and in solvent extraction.","Dalton transactions (Cambridge, England : 2003)","2016","45","46","18484","18493","10.1039/c6dt02930b","","","0.7749","synchrotron","","0.0416","0.0324","","","0.084","0.089","","","","","","1.049","","","","has coordinates,has disorder","190122","2020-10-21","18:00:00",""
"7040444","10.4517","0.0014","11.3563","0.0015","14.994","0.002","78.823","0.002","76.843","0.002","83.55","0.002","1695.8","0.4","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C27 H47 N2 O Si2 Yb -","- C27 H47 N2 O Si2 Yb -","- C54 H94 N4 O2 Si4 Yb2 -","2","1","","Zhang, Guangchao; Deng, Baojia; Wang, Shaowu; Wei, Yun; Zhou, Shuangliu; Zhu, Xiancui; Huang, Zeming; Mu, Xiaolong","Di and trinuclear rare-earth metal complexes supported by 3-amido appended indolyl ligands: synthesis, characterization and catalytic activity towards isoprene 1,4-cis polymerization.","Dalton transactions (Cambridge, England : 2003)","2016","45","39","15445","","10.1039/c6dt02922a","","","0.71073","MoKα","","0.0917","0.0525","","","0.1114","0.1222","","","","","","0.998","","","","has coordinates","187082","2020-10-21","18:00:00",""
"7040445","10.4376","0.0007","11.4218","0.0007","15.014","0.0009","78.651","0.001","76.941","0.001","83.588","0.001","1705.29","0.19","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C54 H94 Er2 N4 O2 Si4 -","- C54 H94 Er2 N4 O2 Si4 -","- C54 H94 Er2 N4 O2 Si4 -","1","0.5","","Zhang, Guangchao; Deng, Baojia; Wang, Shaowu; Wei, Yun; Zhou, Shuangliu; Zhu, Xiancui; Huang, Zeming; Mu, Xiaolong","Di and trinuclear rare-earth metal complexes supported by 3-amido appended indolyl ligands: synthesis, characterization and catalytic activity towards isoprene 1,4-cis polymerization.","Dalton transactions (Cambridge, England : 2003)","2016","45","39","15445","","10.1039/c6dt02922a","","","0.71073","MoKα","","0.0551","0.0415","","","0.1311","0.141","","","","","","1.056","","","","has coordinates,has disorder","187082","2020-10-21","18:00:00",""
"7040446","10.408","0.003","11.353","0.004","14.924","0.005","78.753","0.004","77.074","0.004","83.801","0.004","1681.9","1","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C54 H94 N4 O2 Si4 Y2 -","- C54 H94 N4 O2 Si4 Y2 -","- C54 H94 N4 O2 Si4 Y2 -","1","0.5","","Zhang, Guangchao; Deng, Baojia; Wang, Shaowu; Wei, Yun; Zhou, Shuangliu; Zhu, Xiancui; Huang, Zeming; Mu, Xiaolong","Di and trinuclear rare-earth metal complexes supported by 3-amido appended indolyl ligands: synthesis, characterization and catalytic activity towards isoprene 1,4-cis polymerization.","Dalton transactions (Cambridge, England : 2003)","2016","45","39","15445","","10.1039/c6dt02922a","","","0.71073","MoKα","","0.1532","0.0722","","","0.18","0.2048","","","","","","0.912","","","","has coordinates","187082","2020-10-21","18:00:00",""
"7040447","16.993","0.0008","15.1128","0.0007","28.0534","0.0014","90","","97.24","0.001","90","","7147","0.6","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C62 H110 N4 O4 Si4 Yb2 -","- C62 H110 N4 O4 Si4 Yb2 -","- C248 H440 N16 O16 Si16 Yb8 -","4","1","","Zhang, Guangchao; Deng, Baojia; Wang, Shaowu; Wei, Yun; Zhou, Shuangliu; Zhu, Xiancui; Huang, Zeming; Mu, Xiaolong","Di and trinuclear rare-earth metal complexes supported by 3-amido appended indolyl ligands: synthesis, characterization and catalytic activity towards isoprene 1,4-cis polymerization.","Dalton transactions (Cambridge, England : 2003)","2016","45","39","15445","","10.1039/c6dt02922a","","","0.71073","MoKα","","0.134","0.0505","","","0.0705","0.0872","","","","","","1.028","","","","has coordinates,has disorder","187082","2020-10-21","18:00:00",""
"7040448","30.625","0.003","15.099","0.0016","33.7","0.004","90","","115.674","0.001","90","","14045","3","293.15","","293.15","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C60 H106 Er2 N6 O4 Si4 -","- C60 H106 Er2 N6 O4 Si4 -","- C480 H848 Er16 N48 O32 Si32 -","8","2","","Zhang, Guangchao; Deng, Baojia; Wang, Shaowu; Wei, Yun; Zhou, Shuangliu; Zhu, Xiancui; Huang, Zeming; Mu, Xiaolong","Di and trinuclear rare-earth metal complexes supported by 3-amido appended indolyl ligands: synthesis, characterization and catalytic activity towards isoprene 1,4-cis polymerization.","Dalton transactions (Cambridge, England : 2003)","2016","45","39","15445","","10.1039/c6dt02922a","","","0.71073","MoKα","","0.0593","0.0392","","","0.0896","0.0989","","","","","","1.025","","","","has coordinates,has disorder","187082","2020-10-21","18:00:00",""
"7040449","16.873","0.003","15.102","0.002","30.748","0.005","90","","115.655","0.011","90","","7063","2","293","2","293.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C60 H102 N6 O4 Si4 Y2 -","- C60 H102 N6 O4 Si4 Y2 -","- C240 H408 N24 O16 Si16 Y8 -","4","1","","Zhang, Guangchao; Deng, Baojia; Wang, Shaowu; Wei, Yun; Zhou, Shuangliu; Zhu, Xiancui; Huang, Zeming; Mu, Xiaolong","Di and trinuclear rare-earth metal complexes supported by 3-amido appended indolyl ligands: synthesis, characterization and catalytic activity towards isoprene 1,4-cis polymerization.","Dalton transactions (Cambridge, England : 2003)","2016","45","39","15445","","10.1039/c6dt02922a","","","0.71073","MoKα","","0.1542","0.083","","","0.1881","0.234","","","","","","1.025","","","","has coordinates,has disorder","187082","2020-10-21","18:00:00",""
"7040450","17.006","0.003","15.194","0.003","31.049","0.005","90","","115.666","0.008","90","","7231","2","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C62 H110 Gd2 N4 O4 Si4 -","- C62 H110 Gd2 N4 O4 Si4 -","- C248 H440 Gd8 N16 O16 Si16 -","4","1","","Zhang, Guangchao; Deng, Baojia; Wang, Shaowu; Wei, Yun; Zhou, Shuangliu; Zhu, Xiancui; Huang, Zeming; Mu, Xiaolong","Di and trinuclear rare-earth metal complexes supported by 3-amido appended indolyl ligands: synthesis, characterization and catalytic activity towards isoprene 1,4-cis polymerization.","Dalton transactions (Cambridge, England : 2003)","2016","45","39","15445","","10.1039/c6dt02922a","","","0.71073","MoKα","","0.0857","0.0467","","","0.1161","0.1367","","","","","","1.017","","","","has coordinates,has disorder","187082","2020-10-21","18:00:00",""
"7040451","15.8978","0.001","23.924","0.0015","24.6951","0.0015","90","","95.667","0.001","90","","9346.6","1","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C76 H115 Er3 N8 O5 Si -","- C76 H115 Er3 N8 O5 Si -","- C304 H460 Er12 N32 O20 Si4 -","4","1","","Zhang, Guangchao; Deng, Baojia; Wang, Shaowu; Wei, Yun; Zhou, Shuangliu; Zhu, Xiancui; Huang, Zeming; Mu, Xiaolong","Di and trinuclear rare-earth metal complexes supported by 3-amido appended indolyl ligands: synthesis, characterization and catalytic activity towards isoprene 1,4-cis polymerization.","Dalton transactions (Cambridge, England : 2003)","2016","45","39","15445","","10.1039/c6dt02922a","","","0.71073","MoKα","","0.0626","0.0379","","","0.0853","0.0915","","","","","","0.97","","","","has coordinates","187082","2020-10-21","18:00:00",""
"7040452","15.889","0.0016","23.9167","0.0015","24.6825","0.0016","90","","95.663","0.002","90","","9333.9","1.3","291","2","291","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C76 H115 N8 O5 Si Y3 -","- C76 H115 N8 O5 Si Y3 -","- C304 H460 N32 O20 Si4 Y12 -","4","1","","Zhang, Guangchao; Deng, Baojia; Wang, Shaowu; Wei, Yun; Zhou, Shuangliu; Zhu, Xiancui; Huang, Zeming; Mu, Xiaolong","Di and trinuclear rare-earth metal complexes supported by 3-amido appended indolyl ligands: synthesis, characterization and catalytic activity towards isoprene 1,4-cis polymerization.","Dalton transactions (Cambridge, England : 2003)","2016","45","39","15445","","10.1039/c6dt02922a","","","0.71073","MoKα","","0.0801","0.046","","","0.1133","0.1276","","","","","","1.017","","","","has coordinates","187082","2020-10-21","18:00:00",""
"7040453","15.9167","0.0011","23.9395","0.0017","24.708","0.0017","90","","95.622","0.001","90","","9369.4","1.1","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C76 H115 Dy3 N8 O5 Si -","- C76 H115 Dy3 N8 O5 Si -","- C304 H460 Dy12 N32 O20 Si4 -","4","1","","Zhang, Guangchao; Deng, Baojia; Wang, Shaowu; Wei, Yun; Zhou, Shuangliu; Zhu, Xiancui; Huang, Zeming; Mu, Xiaolong","Di and trinuclear rare-earth metal complexes supported by 3-amido appended indolyl ligands: synthesis, characterization and catalytic activity towards isoprene 1,4-cis polymerization.","Dalton transactions (Cambridge, England : 2003)","2016","45","39","15445","","10.1039/c6dt02922a","","","0.71073","MoKα","","0.0605","0.0367","","","0.0837","0.0897","","","","","","0.964","","","","has coordinates","187082","2020-10-21","18:00:00",""
"7040454","12.0912","0.0004","14.9505","0.0006","24.4254","0.001","104.891","0.002","98.886","0.002","93.187","0.002","4194.8","0.3","273","2","273","2","","","","","","","","5","P -1","-P 1","2","","","","- C80 H110 Er2 N8 O -","- C80 H110 Er2 N8 O -","- C160 H220 Er4 N16 O2 -","2","1","","Zhang, Guangchao; Deng, Baojia; Wang, Shaowu; Wei, Yun; Zhou, Shuangliu; Zhu, Xiancui; Huang, Zeming; Mu, Xiaolong","Di and trinuclear rare-earth metal complexes supported by 3-amido appended indolyl ligands: synthesis, characterization and catalytic activity towards isoprene 1,4-cis polymerization.","Dalton transactions (Cambridge, England : 2003)","2016","45","39","15445","","10.1039/c6dt02922a","","","0.71073","MoKα","","0.1229","0.0838","","","0.1465","0.1651","","","","","","1.05","","","","has coordinates,has disorder","187082","2020-10-21","18:00:00",""
"7040455","12.0907","0.0005","14.9826","0.0007","24.4211","0.0011","104.563","0.002","98.834","0.002","93.354","0.002","4209.1","0.3","273","2","273","2","","","","","","","","5","P -1","-P 1","2","","","","- C80 H110 N8 O Y2 -","- C80 H110 N8 O Y2 -","- C160 H220 N16 O2 Y4 -","2","1","","Zhang, Guangchao; Deng, Baojia; Wang, Shaowu; Wei, Yun; Zhou, Shuangliu; Zhu, Xiancui; Huang, Zeming; Mu, Xiaolong","Di and trinuclear rare-earth metal complexes supported by 3-amido appended indolyl ligands: synthesis, characterization and catalytic activity towards isoprene 1,4-cis polymerization.","Dalton transactions (Cambridge, England : 2003)","2016","45","39","15445","","10.1039/c6dt02922a","","","0.71073","MoKα","","0.1592","0.0876","","","0.2099","0.2372","","","","","","0.997","","","","has coordinates,has disorder","187082","2020-10-21","18:00:00",""
"7040456","10.311","0.005","13.484","0.007","32.291","0.016","90","","90.438","0.005","90","","4489","4","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C32 H55 N8 O16 Tb -","- C32 H55 N8 O16 Tb -","- C128 H220 N32 O64 Tb4 -","4","1","","Xu, Benhua; Tang, Xiaoliang; Zhou, Ji'an; Chen, Wanmin; Liu, Haile; Ju, Zhenghua; Liu, Weisheng","A ""turn-on"" lanthanide complex chemosensor for recognition of lead(ii) based on the formation of nanoparticles.","Dalton transactions (Cambridge, England : 2003)","2016","45","47","18859","18866","10.1039/c6dt02835g","","","0.71073","MoKα","","0.0841","0.0501","","","0.0859","0.0978","","","","","","1.03","","","","has coordinates,has disorder","190204","2020-10-21","18:00:00",""
"7040457","9.52","0.005","12.602","0.007","13.527","0.007","105.942","0.004","106.788","0.004","100.777","0.004","1430","1.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H31 N8 O13 Tb -","- C20 H31 N8 O13 Tb -","- C40 H62 N16 O26 Tb2 -","2","1","","Xu, Benhua; Tang, Xiaoliang; Zhou, Ji'an; Chen, Wanmin; Liu, Haile; Ju, Zhenghua; Liu, Weisheng","A ""turn-on"" lanthanide complex chemosensor for recognition of lead(ii) based on the formation of nanoparticles.","Dalton transactions (Cambridge, England : 2003)","2016","45","47","18859","18866","10.1039/c6dt02835g","","","0.71073","MoKα","","0.0303","0.0258","","","0.0671","0.0698","","","","","","1.011","","","","has coordinates","190204","2020-10-21","18:00:00",""
"7040458","9.995","0.003","26.9","0.007","11.989","0.003","90","","113.816","0.003","90","","2948.9","1.4","293","2","293","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","complex 1","","- C26 H24 Cl2 F3 N3 O3 Pd S3 -","- C26 H24 Cl2 F3 N3 O3 Pd S3 -","- C104 H96 Cl8 F12 N12 O12 Pd4 S12 -","4","1","","Shimokawa, Reina; Kawada, Yumi; Hayashi, Miki; Kataoka, Yasutaka; Ura, Yasuyuki","Oxygenation of a benzyl ligand in SNS-palladium complexes with O2: acceleration by anions or Brønsted acids.","Dalton transactions (Cambridge, England : 2003)","2016","45","41","16112","16116","10.1039/c6dt02948e","","","0.7107","MoKα","","0.0591","0.0532","","","0.1297","0.1356","","","","","","1.05","","","","has coordinates","188157","2020-10-21","18:00:00",""
"7040459","10.224","0.002","13.422","0.003","20.061","0.004","90","","102.936","0.004","90","","2683","1","153","2","153","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","complex 5","","- C27 H24 F3 N O3 Pd S3 -","- C27 H24 F3 N O3 Pd S3 -","- C108 H96 F12 N4 O12 Pd4 S12 -","4","1","","Shimokawa, Reina; Kawada, Yumi; Hayashi, Miki; Kataoka, Yasutaka; Ura, Yasuyuki","Oxygenation of a benzyl ligand in SNS-palladium complexes with O2: acceleration by anions or Brønsted acids.","Dalton transactions (Cambridge, England : 2003)","2016","45","41","16112","16116","10.1039/c6dt02948e","","","0.71075","MoKα","","0.0533","0.0474","","","0.1232","0.1292","","","","","","1.036","","","","has coordinates","188157","2020-10-21","18:00:00",""
"7040460","11.8556","0.0015","12.2946","0.0014","16.8688","0.0019","74.287","0.004","85.564","0.005","81.418","0.004","2338.6","0.5","153","2","153","2","","","","","","","","7","P -1","-P 1","2","","complex 2","","- C40 H34 F6 N8 O6 Pd2 S6 -","- C40 H34 F6 N8 O6 Pd2 S6 -","- C80 H68 F12 N16 O12 Pd4 S12 -","2","1","","Shimokawa, Reina; Kawada, Yumi; Hayashi, Miki; Kataoka, Yasutaka; Ura, Yasuyuki","Oxygenation of a benzyl ligand in SNS-palladium complexes with O2: acceleration by anions or Brønsted acids.","Dalton transactions (Cambridge, England : 2003)","2016","45","41","16112","16116","10.1039/c6dt02948e","","","0.71075","MoKα","","0.0416","0.0367","","","0.0898","0.0942","","","","","","1.058","","","","has coordinates","188157","2020-10-21","18:00:00",""
"7040461","11.028","0.002","11.8922","0.0019","14.942","0.003","73.82","0.004","89.554","0.005","88.613","0.006","1881.4","0.6","153","2","153","2","","","","","","","","6","P -1","-P 1","2","","complex 3a","","- C36 H31 Cl2 N7 Pd2 S4 -","- C36 H31 Cl2 N7 Pd2 S4 -","- C72 H62 Cl4 N14 Pd4 S8 -","2","1","","Shimokawa, Reina; Kawada, Yumi; Hayashi, Miki; Kataoka, Yasutaka; Ura, Yasuyuki","Oxygenation of a benzyl ligand in SNS-palladium complexes with O2: acceleration by anions or Brønsted acids.","Dalton transactions (Cambridge, England : 2003)","2016","45","41","16112","16116","10.1039/c6dt02948e","","","0.71075","MoKα","","0.0559","0.0475","","","0.1247","0.1327","","","","","","1.059","","","","has coordinates","188157","2020-10-21","18:00:00",""
"7040462","15.9124","0.0013","13.8647","0.0011","20.3717","0.0017","90","","102.197","0.001","90","","4393","0.6","173","1","173","1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C46 H34 Cl8 O2 P2 Pd -","- C46 H33.5 Cl8 O2 P2 Pd -","- C184 H134 Cl32 O8 P8 Pd4 -","4","1","","De-Botton, Sophie; Romm, Ronit; Bensoussan, Guillaume; Hitrik, Maria; Musa, Sanaa; Gelman, Dmitri","Coordination versatility of p-hydroquinone-functionalized dibenzobarrelene-based PC(sp(3))P pincer ligands.","Dalton transactions (Cambridge, England : 2003)","2016","45","40","16040","16046","10.1039/c6dt02201d","","","0.71073","MoKα","","0.0631","0.0585","","","0.1453","0.1484","","","","","","1.075","","","","has coordinates,has disorder","188213","2020-10-21","18:00:00",""
"7040463","17.8139","0.0009","11.4514","0.0006","23.0228","0.0011","90","","95.349","0.001","90","","4676.1","0.4","173","1","173","1","","","","","","","","9","P 1 21/n 1","-P 2yn","14","","","","- C48 H38 B Cl4 F4 N O2 P2 Pd -","- C48 H38 B Cl4 F4 N O2 P2 Pd -","- C192 H152 B4 Cl16 F16 N4 O8 P8 Pd4 -","4","1","","De-Botton, Sophie; Romm, Ronit; Bensoussan, Guillaume; Hitrik, Maria; Musa, Sanaa; Gelman, Dmitri","Coordination versatility of p-hydroquinone-functionalized dibenzobarrelene-based PC(sp(3))P pincer ligands.","Dalton transactions (Cambridge, England : 2003)","2016","45","40","16040","16046","10.1039/c6dt02201d","","","0.71073","MoKα","","0.0464","0.0424","","","0.1048","0.1069","","","","","","1.09","","","","has coordinates","188213","2020-10-21","18:00:00",""
"7040464","11.279","0.002","11.916","0.002","17.261","0.002","107.224","0.003","96.427","0.003","95.698","0.003","2180.4","0.6","295","1","295","1","","","","","","","","6","P -1","-P 1","2","","","","- C50 H43 Cl O4 P2 Pd -","- C50 H43 Cl O4 P2 Pd -","- C100 H86 Cl2 O8 P4 Pd2 -","2","1","","De-Botton, Sophie; Romm, Ronit; Bensoussan, Guillaume; Hitrik, Maria; Musa, Sanaa; Gelman, Dmitri","Coordination versatility of p-hydroquinone-functionalized dibenzobarrelene-based PC(sp(3))P pincer ligands.","Dalton transactions (Cambridge, England : 2003)","2016","45","40","16040","16046","10.1039/c6dt02201d","","","0.71073","MoKα","","0.1356","0.0821","","","0.1476","0.1659","","","","","","1.011","","","","has coordinates","188213","2020-10-21","18:00:00",""
"7040465","12.485","0.001","14.669","0.002","15.038","0.002","118.029","0.002","106.215","0.002","90.297","0.002","2303.9","0.5","150","1","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C52 H43 Cl N4 O2 P2 Pt -","- C52 H43 Cl N4 O2 P2 Pt -","- C104 H86 Cl2 N8 O4 P4 Pt2 -","2","1","","De-Botton, Sophie; Romm, Ronit; Bensoussan, Guillaume; Hitrik, Maria; Musa, Sanaa; Gelman, Dmitri","Coordination versatility of p-hydroquinone-functionalized dibenzobarrelene-based PC(sp(3))P pincer ligands.","Dalton transactions (Cambridge, England : 2003)","2016","45","40","16040","16046","10.1039/c6dt02201d","","","0.71073","MoKα","","0.0447","0.0375","","","0.0886","0.091","","","","","","1.041","","","","has coordinates,has disorder","188213","2020-10-21","18:00:00",""
"7040466","12.892","0.006","15.613","0.008","26.9","0.01","90","","101.48","0.01","90","","5306","4","295","1","295","1","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C64 H51 Cl N4 O2 P2 Pt -","- C64 H51 Cl N4 O2 P2 Pt -","- C256 H204 Cl4 N16 O8 P8 Pt4 -","4","1","","De-Botton, Sophie; Romm, Ronit; Bensoussan, Guillaume; Hitrik, Maria; Musa, Sanaa; Gelman, Dmitri","Coordination versatility of p-hydroquinone-functionalized dibenzobarrelene-based PC(sp(3))P pincer ligands.","Dalton transactions (Cambridge, England : 2003)","2016","45","40","16040","16046","10.1039/c6dt02201d","","","0.71073","MoKα","","0.2712","0.1224","","","0.204","0.2509","","","","","","0.978","","","","has coordinates","188213","2020-10-21","18:00:00",""
"7040467","14.7112","0.0012","15.9204","0.0013","17.9871","0.0014","90","","92.147","0.001","90","","4209.8","0.6","173","1","173","1","","","","","","","","9","P 1 21/c 1","-P 2ybc","14","","","","- C47 H36 B Cl2 F4 N O2 P2 Pt -","- C47 H36 B Cl2 F4 N O2 P2 Pt -","- C188 H144 B4 Cl8 F16 N4 O8 P8 Pt4 -","4","1","","De-Botton, Sophie; Romm, Ronit; Bensoussan, Guillaume; Hitrik, Maria; Musa, Sanaa; Gelman, Dmitri","Coordination versatility of p-hydroquinone-functionalized dibenzobarrelene-based PC(sp(3))P pincer ligands.","Dalton transactions (Cambridge, England : 2003)","2016","45","40","16040","16046","10.1039/c6dt02201d","","","0.71073","MoKα","","0.0525","0.0454","","","0.1041","0.1076","","","","","","1.121","","","","has coordinates","188213","2020-10-21","18:00:00",""
"7040468","11.1652","0.0004","15.6107","0.0005","16.0691","0.0005","90","","105.846","0.0011","90","","2694.35","0.15","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C28 H42 N3 O P Ru -","- C28 H42 N3 O P Ru -","- C112 H168 N12 O4 P4 Ru4 -","4","1","","Eijsink, Linda E.; Perdriau, Sébastien C P; de Vries, Johannes G.; Otten, Edwin","Metal-ligand cooperative activation of nitriles by a ruthenium complex with a de-aromatized PNN pincer ligand.","Dalton transactions (Cambridge, England : 2003)","2016","45","40","16033","16039","10.1039/c6dt02478e","","","0.71073","MoKα","","0.0285","0.0235","","","0.0496","0.0518","","","","","","1.092","","","","has coordinates","188200","2020-10-21","18:00:00",""
"7040469","25.0421","0.0007","17.1885","0.0005","31.9702","0.0009","90","","91.419","0.002","90","","13756.9","0.7","120","2","120","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C92 H198 Mo16 N11 O52 Tb -","- C80 H180 Mo16 N5 O52 Tb -","- C320 H720 Mo64 N20 O208 Tb4 -","4","1","","Baldoví, José J; Duan, Yan; Bustos, Carlos; Cardona-Serra, Salvador; Gouzerh, Pierre; Villanneau, Richard; Gontard, Geoffrey; Clemente-Juan, Juan M; Gaita-Ariño, Alejandro; Giménez-Saiz, Carlos; Proust, Anna; Coronado, Eugenio","Single ion magnets based on lanthanoid polyoxomolybdate complexes.","Dalton transactions (Cambridge, England : 2003)","2016","45","42","16653","16660","10.1039/c6dt02258h","","","0.71073","MoKα","","0.1776","0.1205","","","0.3127","0.3448","","","","","","1.084","","","","has coordinates,has disorder","188231","2020-10-21","18:00:00",""
"7040470","17.7626","0.0004","32.9141","0.0008","47.7196","0.0012","90","","90","","90","","27898.8","1.2","120","2","120","2","","","","","","","","6","P c a b","-P 2bc 2ac","61","","","","- C96 H204 Dy Mo16 N13 O52 -","- C80 H180 Dy Mo16 N5 O52 -","- C640 H1440 Dy8 Mo128 N40 O416 -","8","1","","Baldoví, José J; Duan, Yan; Bustos, Carlos; Cardona-Serra, Salvador; Gouzerh, Pierre; Villanneau, Richard; Gontard, Geoffrey; Clemente-Juan, Juan M; Gaita-Ariño, Alejandro; Giménez-Saiz, Carlos; Proust, Anna; Coronado, Eugenio","Single ion magnets based on lanthanoid polyoxomolybdate complexes.","Dalton transactions (Cambridge, England : 2003)","2016","45","42","16653","16660","10.1039/c6dt02258h","","","0.71073","MoKα","","0.2018","0.143","","","0.3186","0.3475","","","","","","1.043","","","","has coordinates,has disorder","188231","2020-10-21","18:00:00",""
"7040471","17.8839","0.00015","32.8402","0.0002","47.8961","0.0004","90","","90","","90","","28129.9","0.4","120","2","120","2","","","","","","","","6","P c a b","-P 2bc 2ac","61","","","","- C96 H204 Ho Mo16 N13 O52 -","- C80 H180 Ho Mo16 N5 O52 -","- C640 H1440 Ho8 Mo128 N40 O416 -","8","1","","Baldoví, José J; Duan, Yan; Bustos, Carlos; Cardona-Serra, Salvador; Gouzerh, Pierre; Villanneau, Richard; Gontard, Geoffrey; Clemente-Juan, Juan M; Gaita-Ariño, Alejandro; Giménez-Saiz, Carlos; Proust, Anna; Coronado, Eugenio","Single ion magnets based on lanthanoid polyoxomolybdate complexes.","Dalton transactions (Cambridge, England : 2003)","2016","45","42","16653","16660","10.1039/c6dt02258h","","","0.71073","MoKα","","0.1016","0.0904","","","0.1803","0.1844","","","","","","1.228","","","","has coordinates,has disorder","188231","2020-10-21","18:00:00",""
"7040472","17.811","0.0003","33.158","0.0005","48.1554","0.0008","90","","90","","90","","28439.5","0.8","120","2","120","2","","","","","","","","6","P c a b","-P 2bc 2ac","61","","","","- C96 H204 Er Mo16 N13 O52 -","- C64 H144 Er Mo16 N4 O52 -","- C512 H1152 Er8 Mo128 N32 O416 -","8","1","","Baldoví, José J; Duan, Yan; Bustos, Carlos; Cardona-Serra, Salvador; Gouzerh, Pierre; Villanneau, Richard; Gontard, Geoffrey; Clemente-Juan, Juan M; Gaita-Ariño, Alejandro; Giménez-Saiz, Carlos; Proust, Anna; Coronado, Eugenio","Single ion magnets based on lanthanoid polyoxomolybdate complexes.","Dalton transactions (Cambridge, England : 2003)","2016","45","42","16653","16660","10.1039/c6dt02258h","","","0.71073","MoKα","","0.1576","0.0958","","","0.2688","0.3039","","","","","","1.023","","","","has coordinates","188231","2020-10-21","18:00:00",""
"7040473","17.8375","0.0002","32.8499","0.0004","47.7986","0.0008","90","","90","","90","","28008.1","0.7","120","2","120","2","","","","","","","","6","P c a b","-P 2bc 2ac","61","","","","- C96 H204 Mo16 N13 O52 Tm -","- C80 H180 Mo16 N5 O52 Tm -","- C640 H1440 Mo128 N40 O416 Tm8 -","8","1","","Baldoví, José J; Duan, Yan; Bustos, Carlos; Cardona-Serra, Salvador; Gouzerh, Pierre; Villanneau, Richard; Gontard, Geoffrey; Clemente-Juan, Juan M; Gaita-Ariño, Alejandro; Giménez-Saiz, Carlos; Proust, Anna; Coronado, Eugenio","Single ion magnets based on lanthanoid polyoxomolybdate complexes.","Dalton transactions (Cambridge, England : 2003)","2016","45","42","16653","16660","10.1039/c6dt02258h","","","0.71073","MoKα","","0.1431","0.1116","","","0.2275","0.2396","","","","","","1.091","","","","has coordinates","188231","2020-10-21","18:00:00",""
"7040474","17.8722","0.0003","32.7932","0.0005","47.8651","0.0007","90","","90","","90","","28053.1","0.8","120","2","120","2","","","","","","","","6","P c a b","-P 2bc 2ac","61","","","","- C96 H204 Mo16 N13 O52 Yb -","- C80 H180 Mo16 N5 O52 Yb -","- C640 H1440 Mo128 N40 O416 Yb8 -","8","1","","Baldoví, José J; Duan, Yan; Bustos, Carlos; Cardona-Serra, Salvador; Gouzerh, Pierre; Villanneau, Richard; Gontard, Geoffrey; Clemente-Juan, Juan M; Gaita-Ariño, Alejandro; Giménez-Saiz, Carlos; Proust, Anna; Coronado, Eugenio","Single ion magnets based on lanthanoid polyoxomolybdate complexes.","Dalton transactions (Cambridge, England : 2003)","2016","45","42","16653","16660","10.1039/c6dt02258h","","","0.71073","MoKα","","0.141","0.1134","","","0.2363","0.2469","","","","","","1.093","","","","has coordinates","188231","2020-10-21","18:00:00",""
"7040475","17.4477","0.0003","17.8961","0.0004","20.6994","0.0004","100.016","0.001","98.861","0.001","116.841","0.001","5476.5","0.2","200","1","200","1","","","","","","","","7","P -1","-P 1","2","","","","- C69.5 H141.5 Cl4.5 Mo10 N9 O38 Tb -","- C69.5 H141.5 Cl4.5 Mo10 N9 O38 Tb -","- C139 H283 Cl9 Mo20 N18 O76 Tb2 -","2","1","","Baldoví, José J; Duan, Yan; Bustos, Carlos; Cardona-Serra, Salvador; Gouzerh, Pierre; Villanneau, Richard; Gontard, Geoffrey; Clemente-Juan, Juan M; Gaita-Ariño, Alejandro; Giménez-Saiz, Carlos; Proust, Anna; Coronado, Eugenio","Single ion magnets based on lanthanoid polyoxomolybdate complexes.","Dalton transactions (Cambridge, England : 2003)","2016","45","42","16653","16660","10.1039/c6dt02258h","","","0.71073","MoKα","","0.0909","0.0618","","","0.1397","0.1763","","","","","","1.078","","","","has coordinates,has disorder","188231","2020-10-21","18:00:00",""
"7040476","17.4104","0.0006","17.9043","0.0007","20.6847","0.0008","100.034","0.002","98.873","0.002","116.854","0.002","5461.8","0.4","200","1","200","1","","","","","","","","7","P -1","-P 1","2","","","","- C69.5 H141.5 Cl4.5 Dy Mo10 N9 O38 -","- C69.5 H141.5 Cl4.5 Dy Mo10 N9 O38 -","- C139 H283 Cl9 Dy2 Mo20 N18 O76 -","2","1","","Baldoví, José J; Duan, Yan; Bustos, Carlos; Cardona-Serra, Salvador; Gouzerh, Pierre; Villanneau, Richard; Gontard, Geoffrey; Clemente-Juan, Juan M; Gaita-Ariño, Alejandro; Giménez-Saiz, Carlos; Proust, Anna; Coronado, Eugenio","Single ion magnets based on lanthanoid polyoxomolybdate complexes.","Dalton transactions (Cambridge, England : 2003)","2016","45","42","16653","16660","10.1039/c6dt02258h","","","0.71073","MoKα","","0.0854","0.0487","","","0.1252","0.1604","","","","","","1.131","","","","has coordinates","188231","2020-10-21","18:00:00",""
"7040477","25.8182","0.0006","21.3845","0.0005","19.7951","0.0004","90","","106.866","0.001","90","","10459","0.4","200","1","200","1","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C69 H141 Cl3 Ho Mo10 N9 O38 -","- C69 H141 Cl3 Ho Mo10 N9 O38 -","- C276 H564 Cl12 Ho4 Mo40 N36 O152 -","4","1","","Baldoví, José J; Duan, Yan; Bustos, Carlos; Cardona-Serra, Salvador; Gouzerh, Pierre; Villanneau, Richard; Gontard, Geoffrey; Clemente-Juan, Juan M; Gaita-Ariño, Alejandro; Giménez-Saiz, Carlos; Proust, Anna; Coronado, Eugenio","Single ion magnets based on lanthanoid polyoxomolybdate complexes.","Dalton transactions (Cambridge, England : 2003)","2016","45","42","16653","16660","10.1039/c6dt02258h","","","0.71073","MoKα","","0.0817","0.0432","","","0.1014","0.1335","","","","","","1.182","","","","has coordinates,has disorder","188231","2020-10-21","18:00:00",""
"7040478","25.7069","0.0005","21.3819","0.0004","19.9702","0.0003","90","","107.23","0.001","90","","10484.3","0.3","200","1","200","1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C72 H148 Er Mo10 N9 O39 -","- C72 H148 Er Mo10 N9 O39 -","- C288 H592 Er4 Mo40 N36 O156 -","4","1","","Baldoví, José J; Duan, Yan; Bustos, Carlos; Cardona-Serra, Salvador; Gouzerh, Pierre; Villanneau, Richard; Gontard, Geoffrey; Clemente-Juan, Juan M; Gaita-Ariño, Alejandro; Giménez-Saiz, Carlos; Proust, Anna; Coronado, Eugenio","Single ion magnets based on lanthanoid polyoxomolybdate complexes.","Dalton transactions (Cambridge, England : 2003)","2016","45","42","16653","16660","10.1039/c6dt02258h","","","0.71073","MoKα","","0.0789","0.0507","","","0.0995","0.1282","","","","","","1.23","","","","has coordinates","188231","2020-10-21","18:00:00",""
"7040479","25.7981","0.0004","21.3853","0.0003","19.7968","0.0003","90","","107.07","0.001","90","","10440.8","0.3","200","1","200","1","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C69 H141 Cl3 Mo10 N9 O38 Yb -","- C69 H141 Cl3 Mo10 N9 O38 Yb -","- C276 H564 Cl12 Mo40 N36 O152 Yb4 -","4","1","","Baldoví, José J; Duan, Yan; Bustos, Carlos; Cardona-Serra, Salvador; Gouzerh, Pierre; Villanneau, Richard; Gontard, Geoffrey; Clemente-Juan, Juan M; Gaita-Ariño, Alejandro; Giménez-Saiz, Carlos; Proust, Anna; Coronado, Eugenio","Single ion magnets based on lanthanoid polyoxomolybdate complexes.","Dalton transactions (Cambridge, England : 2003)","2016","45","42","16653","16660","10.1039/c6dt02258h","","","0.71073","MoKα","","0.0929","0.0565","","","0.1294","0.1719","","","","","","1.154","","","","has coordinates,has disorder","188231","2020-10-21","18:00:00",""
"7040480","5.9443","0.0009","13.177","0.002","13.687","0.002","109.604","0.002","95.076","0.002","93.038","0.002","1002.1","0.3","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H7 O13 S Sm -","- C16 H7 O13 S Sm -","- C32 H14 O26 S2 Sm2 -","2","1","","Li, Chuan-Ti; Zhao, Yi-Fan; Hu, Huai-Ming; Zhao, Hui; Wang, Xiaofang; Xue, Ganglin","Lanthanide coordination frameworks constructed from 3,3',4,4'-diphenylsulfonetetracarboxylic and 1,10-phenanthroline: synthesis, crystal structures and luminescence properties.","Dalton transactions (Cambridge, England : 2003)","2016","45","39","15436","","10.1039/c6dt02646j","","","0.71073","MoKα","","0.0376","0.0351","","","0.097","0.0988","","","","","","1.068","","","","has coordinates","187087","2020-10-21","18:00:00",""
"7040481","5.9204","0.001","13.177","0.002","13.667","0.002","109.572","0.002","94.896","0.002","93.26","0.003","996.8","0.3","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H10 Eu O13 S -","- C16 H10 Eu O13 S -","- C32 H20 Eu2 O26 S2 -","2","1","","Li, Chuan-Ti; Zhao, Yi-Fan; Hu, Huai-Ming; Zhao, Hui; Wang, Xiaofang; Xue, Ganglin","Lanthanide coordination frameworks constructed from 3,3',4,4'-diphenylsulfonetetracarboxylic and 1,10-phenanthroline: synthesis, crystal structures and luminescence properties.","Dalton transactions (Cambridge, England : 2003)","2016","45","39","15436","","10.1039/c6dt02646j","","","0.71073","MoKα","","0.0408","0.0394","","","0.1066","0.1086","","","","","","1.029","","","","has coordinates","187087","2020-10-21","18:00:00",""
"7040482","5.9188","0.0007","13.1837","0.0016","13.6877","0.0016","109.804","0.002","94.954","0.002","93.385","0.002","996.7","0.2","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H11 Gd O13 S -","- C16 H11 Gd O13 S -","- C32 H22 Gd2 O26 S2 -","2","1","","Li, Chuan-Ti; Zhao, Yi-Fan; Hu, Huai-Ming; Zhao, Hui; Wang, Xiaofang; Xue, Ganglin","Lanthanide coordination frameworks constructed from 3,3',4,4'-diphenylsulfonetetracarboxylic and 1,10-phenanthroline: synthesis, crystal structures and luminescence properties.","Dalton transactions (Cambridge, England : 2003)","2016","45","39","15436","","10.1039/c6dt02646j","","","0.71073","MoKα","","0.0276","0.0263","","","0.0721","0.0734","","","","","","1.037","","","","has coordinates","187087","2020-10-21","18:00:00",""
"7040483","5.9118","0.0015","13.215","0.003","13.723","0.004","110.088","0.004","94.904","0.004","93.524","0.004","998.5","0.4","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H6 O13 S Tb -","- C16 H6 O13 S Tb -","- C32 H12 O26 S2 Tb2 -","2","1","","Li, Chuan-Ti; Zhao, Yi-Fan; Hu, Huai-Ming; Zhao, Hui; Wang, Xiaofang; Xue, Ganglin","Lanthanide coordination frameworks constructed from 3,3',4,4'-diphenylsulfonetetracarboxylic and 1,10-phenanthroline: synthesis, crystal structures and luminescence properties.","Dalton transactions (Cambridge, England : 2003)","2016","45","39","15436","","10.1039/c6dt02646j","","","0.71073","MoKα","","0.0824","0.0783","","","0.2164","0.2201","","","","","","1.158","","","","has coordinates","187087","2020-10-21","18:00:00",""
"7040484","5.8841","0.0009","13.181","0.002","13.718","0.002","110.236","0.002","94.862","0.002","93.699","0.002","989.7","0.3","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H7 Dy O13 S -","- C16 H7 Dy O13 S -","- C32 H14 Dy2 O26 S2 -","2","1","","Li, Chuan-Ti; Zhao, Yi-Fan; Hu, Huai-Ming; Zhao, Hui; Wang, Xiaofang; Xue, Ganglin","Lanthanide coordination frameworks constructed from 3,3',4,4'-diphenylsulfonetetracarboxylic and 1,10-phenanthroline: synthesis, crystal structures and luminescence properties.","Dalton transactions (Cambridge, England : 2003)","2016","45","39","15436","","10.1039/c6dt02646j","","","0.71073","MoKα","","0.0374","0.0327","","","0.078","0.0811","","","","","","1.039","","","","has coordinates","187087","2020-10-21","18:00:00",""
"7040485","5.8683","0.0011","13.161","0.003","13.719","0.003","110.324","0.003","94.741","0.003","93.886","0.003","984.9","0.4","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H7 Ho O13 S -","- C16 H7 Ho O13 S -","- C32 H14 Ho2 O26 S2 -","2","1","","Li, Chuan-Ti; Zhao, Yi-Fan; Hu, Huai-Ming; Zhao, Hui; Wang, Xiaofang; Xue, Ganglin","Lanthanide coordination frameworks constructed from 3,3',4,4'-diphenylsulfonetetracarboxylic and 1,10-phenanthroline: synthesis, crystal structures and luminescence properties.","Dalton transactions (Cambridge, England : 2003)","2016","45","39","15436","","10.1039/c6dt02646j","","","0.71073","MoKα","","0.0624","0.0566","","","0.1137","0.1172","","","","","","1.166","","","","has coordinates","187087","2020-10-21","18:00:00",""
"7040486","5.8366","0.0012","13.138","0.003","13.748","0.003","110.348","0.003","94.596","0.003","94.043","0.003","979.8","0.4","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H7 Er O13 S -","- C16 H7 Er O13 S -","- C32 H14 Er2 O26 S2 -","2","1","","Li, Chuan-Ti; Zhao, Yi-Fan; Hu, Huai-Ming; Zhao, Hui; Wang, Xiaofang; Xue, Ganglin","Lanthanide coordination frameworks constructed from 3,3',4,4'-diphenylsulfonetetracarboxylic and 1,10-phenanthroline: synthesis, crystal structures and luminescence properties.","Dalton transactions (Cambridge, England : 2003)","2016","45","39","15436","","10.1039/c6dt02646j","","","0.71073","MoKα","","0.0467","0.0424","","","0.1147","0.1192","","","","","","1.033","","","","has coordinates","187087","2020-10-21","18:00:00",""
"7040487","5.9317","0.0012","13.181","0.003","13.685","0.003","109.756","0.003","95.029","0.003","93.18","0.003","999","0.4","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H7 O13 S Yb -","- C16 H7 O13 S Yb -","- C32 H14 O26 S2 Yb2 -","2","1","","Li, Chuan-Ti; Zhao, Yi-Fan; Hu, Huai-Ming; Zhao, Hui; Wang, Xiaofang; Xue, Ganglin","Lanthanide coordination frameworks constructed from 3,3',4,4'-diphenylsulfonetetracarboxylic and 1,10-phenanthroline: synthesis, crystal structures and luminescence properties.","Dalton transactions (Cambridge, England : 2003)","2016","45","39","15436","","10.1039/c6dt02646j","","","0.71073","MoKα","","0.054","0.0473","","","0.1222","0.1276","","","","","","1.047","","","","has coordinates","187087","2020-10-21","18:00:00",""
"7040488","10.5654","0.0017","11.668","0.002","12.0378","0.0019","109.547","0.003","105.454","0.003","90.547","0.003","1339.9","0.4","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C56 H38 N4 O25 Pr2 S2 -","- C56 H38 N4 O25 Pr2 S2 -","- C56 H38 N4 O25 Pr2 S2 -","1","0.5","","Li, Chuan-Ti; Zhao, Yi-Fan; Hu, Huai-Ming; Zhao, Hui; Wang, Xiaofang; Xue, Ganglin","Lanthanide coordination frameworks constructed from 3,3',4,4'-diphenylsulfonetetracarboxylic and 1,10-phenanthroline: synthesis, crystal structures and luminescence properties.","Dalton transactions (Cambridge, England : 2003)","2016","45","39","15436","","10.1039/c6dt02646j","","","0.71073","MoKα","","0.0697","0.0578","","","0.109","0.1145","","","","","","1.046","","","","has coordinates","187087","2020-10-21","18:00:00",""
"7040489","10.5704","0.0013","11.6325","0.0013","12.0347","0.0014","109.448","0.002","105.46","0.002","90.611","0.002","1336.8","0.3","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C56 H38 N4 Nd2 O25 S2 -","- C56 H38 N4 Nd2 O25 S2 -","- C56 H38 N4 Nd2 O25 S2 -","1","0.5","","Li, Chuan-Ti; Zhao, Yi-Fan; Hu, Huai-Ming; Zhao, Hui; Wang, Xiaofang; Xue, Ganglin","Lanthanide coordination frameworks constructed from 3,3',4,4'-diphenylsulfonetetracarboxylic and 1,10-phenanthroline: synthesis, crystal structures and luminescence properties.","Dalton transactions (Cambridge, England : 2003)","2016","45","39","15436","","10.1039/c6dt02646j","","","0.71073","MoKα","","0.0389","0.0353","","","0.0743","0.0762","","","","","","1.095","","","","has coordinates","187087","2020-10-21","18:00:00",""
"7040490","10.6041","0.0015","11.5157","0.0017","12.0048","0.0017","108.843","0.002","105.804","0.002","90.751","0.002","1326.7","0.3","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C56 H38 Eu2 N4 O25 S2 -","- C56 H38 Eu2 N4 O25 S2 -","- C56 H38 Eu2 N4 O25 S2 -","1","0.5","","Li, Chuan-Ti; Zhao, Yi-Fan; Hu, Huai-Ming; Zhao, Hui; Wang, Xiaofang; Xue, Ganglin","Lanthanide coordination frameworks constructed from 3,3',4,4'-diphenylsulfonetetracarboxylic and 1,10-phenanthroline: synthesis, crystal structures and luminescence properties.","Dalton transactions (Cambridge, England : 2003)","2016","45","39","15436","","10.1039/c6dt02646j","","","0.71073","MoKα","","0.0392","0.0329","","","0.0642","0.0674","","","","","","1.002","","","","has coordinates","187087","2020-10-21","18:00:00",""
"7040491","10.6026","0.0013","11.5116","0.0014","11.9957","0.0015","108.87","0.002","105.771","0.002","90.769","0.002","1325","0.3","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C28 H19 N2 O12.5 S Tb -","- C28 H19 N2 O12.5 S Tb -","- C56 H38 N4 O25 S2 Tb2 -","2","1","","Li, Chuan-Ti; Zhao, Yi-Fan; Hu, Huai-Ming; Zhao, Hui; Wang, Xiaofang; Xue, Ganglin","Lanthanide coordination frameworks constructed from 3,3',4,4'-diphenylsulfonetetracarboxylic and 1,10-phenanthroline: synthesis, crystal structures and luminescence properties.","Dalton transactions (Cambridge, England : 2003)","2016","45","39","15436","","10.1039/c6dt02646j","","","0.71073","MoKα","","0.0384","0.0316","","","0.07","0.0742","","","","","","1.017","","","","has coordinates","187087","2020-10-21","18:00:00",""
"7040492","21.911","0.005","21.911","0.005","21.911","0.005","90","","90","","90","","10519","4","293","2","293","2","","","","","","","","5","I -4 3 m","I -4 2 3","217","","","","- C102.5 H193.5 N4.5 O100.5 V28 -","- C84 H139.999 O100 V28 -","- C168 H279.998 O200 V56 -","2","0.0416667","","Zhang, Yu-Teng; Li, Shuang-Bao; Wang, Xin-Long; Gong, Ya-Ru; Shao, Kui-Zhan; Su, Zhong-Min","Synthesis, structures, and magnetic properties of metal-organic polyhedra based on unprecedented {V7} isopolyoxometalate clusters.","Dalton transactions (Cambridge, England : 2003)","2016","45","38","14898","14901","10.1039/c6dt02764d","","","0.71069","MoKα","","0.057","0.0435","","","0.0901","0.0951","","","","","","1.015","","","","has coordinates","188117","2020-10-21","18:00:00",""
"7040493","21.9542","0.0012","21.9542","0.0012","21.9542","0.0012","90","","90","","90","","10581.6","1","298","2","298.15","","","","","","","","","5","I -4 3 m","I -4 2 3","217","","","","- C103 H201.5 N10.5 O101 V28 -","- C84 H115.999 N6 O100 V28 -","- C168 H231.998 N12 O200 V56 -","2","0.0416667","","Zhang, Yu-Teng; Li, Shuang-Bao; Wang, Xin-Long; Gong, Ya-Ru; Shao, Kui-Zhan; Su, Zhong-Min","Synthesis, structures, and magnetic properties of metal-organic polyhedra based on unprecedented {V7} isopolyoxometalate clusters.","Dalton transactions (Cambridge, England : 2003)","2016","45","38","14898","14901","10.1039/c6dt02764d","","","0.71073","MoKα","","0.1007","0.0635","","","0.1433","0.1605","","","","","","1.023","","","","has coordinates","188117","2020-10-21","18:00:00",""
"7040494","11.362","0.002","41.867","0.008","26.271","0.005","90","","90","","90","","12497","4","143","1","143","1","","","","","","","","6","F d d d :2","-F 2uv 2vw","70","","","","- C64 H80 Ce Li4 N8 O4 -","- C64 H80 Ce Li4 N8 O4 -","- C512 H640 Ce8 Li32 N64 O32 -","8","0.25","","Levin, Jessica R.; Cheisson, Thibault; Carroll, Patrick J.; Schelter, Eric J.","Accessing relatively electron poor cerium(iv) hydrazido complexes by lithium cation promoted ligand reduction.","Dalton transactions (Cambridge, England : 2003)","2016","45","38","15249","15258","10.1039/c6dt03154d","","","0.71073","MoKα","","0.0171","0.0164","","","0.0421","0.043","","","","","","1.128","","","","has coordinates","187077","2020-10-21","18:00:00",""
"7040495","14.7988","0.0005","20.7565","0.0007","22.4945","0.0008","90.464","0.002","92.957","0.002","90.456","0.002","6900","0.4","100","1","100","1","","","","","","","","7","P -1","-P 1","2","","","","- C64 H72 Ce Cl8 Li4 N8 O4 -","- C64 H72 Ce Cl8 Li4 N8 O4 -","- C256 H288 Ce4 Cl32 Li16 N32 O16 -","4","2","","Levin, Jessica R.; Cheisson, Thibault; Carroll, Patrick J.; Schelter, Eric J.","Accessing relatively electron poor cerium(iv) hydrazido complexes by lithium cation promoted ligand reduction.","Dalton transactions (Cambridge, England : 2003)","2016","45","38","15249","15258","10.1039/c6dt03154d","","","0.71073","MoKα","","0.0635","0.0497","","","0.1375","0.1488","","","","","","1.154","","","","has coordinates,has disorder","187077","2020-10-21","18:00:00",""
"7040496","13.0287","0.0005","13.0287","0.0005","47.9343","0.0018","90","","90","","90","","8136.7","0.5","100","1","100","1","","","","","","","","7","P 41","P 4w","76","","","","- C71 H72 Ce Cl16 Li4 N8 O4 -","- C71 H72 Ce Cl16 Li4 N8 O4 -","- C284 H288 Ce4 Cl64 Li16 N32 O16 -","4","1","","Levin, Jessica R.; Cheisson, Thibault; Carroll, Patrick J.; Schelter, Eric J.","Accessing relatively electron poor cerium(iv) hydrazido complexes by lithium cation promoted ligand reduction.","Dalton transactions (Cambridge, England : 2003)","2016","45","38","15249","15258","10.1039/c6dt03154d","","","0.71073","MoKα","","0.024","0.0233","","","0.054","0.0542","","","","","","1.198","","","","has coordinates","187077","2020-10-21","18:00:00",""
"7040497","16.1545","0.0012","16.2394","0.0011","41.225","0.003","90","","95.418","0.004","90","","10766.6","1.3","100","1","100","1","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C80 H64 Ce F48 Li4 N8 O4 -","- C80 H64 Ce F48 Li4 N8 O4 -","- C320 H256 Ce4 F192 Li16 N32 O16 -","4","1","","Levin, Jessica R.; Cheisson, Thibault; Carroll, Patrick J.; Schelter, Eric J.","Accessing relatively electron poor cerium(iv) hydrazido complexes by lithium cation promoted ligand reduction.","Dalton transactions (Cambridge, England : 2003)","2016","45","38","15249","15258","10.1039/c6dt03154d","","","0.71073","MoKα","","0.1322","0.1148","","","0.2643","0.272","","","","","","1.066","","","","has coordinates,has disorder","187077","2020-10-21","18:00:00",""
"7040498","9.1486","0.0018","13.496","0.003","14.507","0.003","90","","97.345","0.006","90","","1776.5","0.6","150","2","150","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C21 H24 N2 -","- C21 H24 N2 -","- C84 H96 N8 -","4","1","","Suresh, D.; Ferreira, Bruno; Lopes, Patrícia S; Gomes, Clara S. B.; Krishnamoorthy, Paramasivam; Charas, Ana; Vila-Viçosa, Diogo; Morgado, Jorge; Calhorda, Maria José; Maçanita, António L; Gomes, Pedro T.","Boron complexes of aromatic ring fused iminopyrrolyl ligands: synthesis, structure, and luminescence properties.","Dalton transactions (Cambridge, England : 2003)","2016","45","39","15603","15620","10.1039/c6dt02771g","","x-ray","0.71073","MoKα","","0.0683","0.0451","","","0.1081","0.1168","","","","","","0.946","","","","has coordinates,has disorder","188143","2020-10-21","18:00:00",""
"7040499","26.1429","0.0014","5.5789","0.0003","22.5584","0.0011","90","","102.477","0.002","90","","3212.4","0.3","150","2","150","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C23 H16 N2 -","- C23 H16 N2 -","- C184 H128 N16 -","8","1","","Suresh, D.; Ferreira, Bruno; Lopes, Patrícia S; Gomes, Clara S. B.; Krishnamoorthy, Paramasivam; Charas, Ana; Vila-Viçosa, Diogo; Morgado, Jorge; Calhorda, Maria José; Maçanita, António L; Gomes, Pedro T.","Boron complexes of aromatic ring fused iminopyrrolyl ligands: synthesis, structure, and luminescence properties.","Dalton transactions (Cambridge, England : 2003)","2016","45","39","15603","15620","10.1039/c6dt02771g","","x-ray","0.71073","MoKα","","0.1043","0.0513","","","0.1035","0.1157","","","","","","1.001","","","","has coordinates","188143","2020-10-21","18:00:00",""
"7040500","10.6591","0.0009","8.7127","0.0007","14.2325","0.0013","90","","90.856","0.005","90","","1321.6","0.2","150","2","150","2","","","","","","","","4","P 1 n 1","P -2yac","7","","","","- C33 H33 B N2 -","- C33 H33 B N2 -","- C66 H66 B2 N4 -","2","1","","Suresh, D.; Ferreira, Bruno; Lopes, Patrícia S; Gomes, Clara S. B.; Krishnamoorthy, Paramasivam; Charas, Ana; Vila-Viçosa, Diogo; Morgado, Jorge; Calhorda, Maria José; Maçanita, António L; Gomes, Pedro T.","Boron complexes of aromatic ring fused iminopyrrolyl ligands: synthesis, structure, and luminescence properties.","Dalton transactions (Cambridge, England : 2003)","2016","45","39","15603","15620","10.1039/c6dt02771g","","x-ray","0.71073","MoKα","","0.1201","0.108","","","0.3148","0.3277","","","","","","0.981","","","","has coordinates","188143","2020-10-21","18:00:00",""
"7040501","8.9836","0.0003","13.3666","0.0004","17.2368","0.0006","90","","94.218","0.002","90","","2064.19","0.12","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C27 H21 B N2 -","- C27 H21 B N2 -","- C108 H84 B4 N8 -","4","1","","Suresh, D.; Ferreira, Bruno; Lopes, Patrícia S; Gomes, Clara S. B.; Krishnamoorthy, Paramasivam; Charas, Ana; Vila-Viçosa, Diogo; Morgado, Jorge; Calhorda, Maria José; Maçanita, António L; Gomes, Pedro T.","Boron complexes of aromatic ring fused iminopyrrolyl ligands: synthesis, structure, and luminescence properties.","Dalton transactions (Cambridge, England : 2003)","2016","45","39","15603","15620","10.1039/c6dt02771g","","x-ray","0.71073","MoKα","","0.0831","0.0462","","","0.1074","0.1182","","","","","","1.051","","","","has coordinates","188143","2020-10-21","18:00:00",""
"7040502","12.2486","0.0009","9.0701","0.0007","21.8347","0.0015","90","","91.772","0.004","90","","2424.6","0.3","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C35 H25 B N2 -","- C35 H25 B N2 -","- C140 H100 B4 N8 -","4","1","","Suresh, D.; Ferreira, Bruno; Lopes, Patrícia S; Gomes, Clara S. B.; Krishnamoorthy, Paramasivam; Charas, Ana; Vila-Viçosa, Diogo; Morgado, Jorge; Calhorda, Maria José; Maçanita, António L; Gomes, Pedro T.","Boron complexes of aromatic ring fused iminopyrrolyl ligands: synthesis, structure, and luminescence properties.","Dalton transactions (Cambridge, England : 2003)","2016","45","39","15603","15620","10.1039/c6dt02771g","","x-ray","0.71073","MoKα","","0.0918","0.0565","","","0.1387","0.153","","","","","","1.012","","","","has coordinates","188143","2020-10-21","18:00:00",""
"7040503","20.7982","0.0006","10.8952","0.0004","10.9832","0.0004","90","","90","","90","","2488.8","0.15","293","2","293","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C9.5 H14.5 Cl1.5 N2.5 O Rh0.5 -","- C9.5 H14.5 Cl1.5 N2.5 O Rh0.5 -","- C76 H116 Cl12 N20 O8 Rh4 -","8","1","","Milutinović, Milan M; Bogojeski, Jovana V.; Klisurić, Olivera; Scheurer, Andreas; Elmroth, Sofi K. C.; Bugarčić, Živadin D","Synthesis and structures of a pincer-type rhodium(iii) complex: reactivity toward biomolecules.","Dalton transactions (Cambridge, England : 2003)","2016","45","39","15481","15491","10.1039/c6dt02772e","","","0.71073","MoKα","","0.0491","0.0331","","","0.0677","0.0734","","","","","","1.096","","","","has coordinates","188126","2020-10-21","18:00:00",""
"7040504","15.8678","0.0006","16.2835","0.0007","21.4232","0.0007","68.627","0.004","71.761","0.003","62.142","0.004","4488.4","0.3","170","2","170","2","","","","","","","","5","P -1","-P 1","2","","","","- C80 H118 I4 O11 U2 -","- C80 H118 I4 O11 U2 -","- C160 H236 I8 O22 U4 -","2","1","","Wells, Jordann A. L.; Seymour, Megan L.; Suvova, Markéta; Arnold, Polly L.","Dinuclear uranium complexation and manipulation using robust tetraaryloxides.","Dalton transactions (Cambridge, England : 2003)","2016","45","40","16026","16032","10.1039/c6dt02630c","","x-ray","0.71073","MoKα","","0.1466","0.0876","","","0.1843","0.2113","","","","","","1.035","","","","has coordinates","188201","2020-10-21","18:00:00",""
"7040505","13.1203","0.0002","15.46388","0.00016","22.095","0.0003","90","","94.6475","0.0013","90","","4468.13","0.1","170","2","170","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C42 H63 I2 O6 U -","- C42 H63 I2 O6 U -","- C168 H252 I8 O24 U4 -","4","1","","Wells, Jordann A. L.; Seymour, Megan L.; Suvova, Markéta; Arnold, Polly L.","Dinuclear uranium complexation and manipulation using robust tetraaryloxides.","Dalton transactions (Cambridge, England : 2003)","2016","45","40","16026","16032","10.1039/c6dt02630c","","x-ray","0.71073","MoKα","","0.0697","0.0524","","","0.1169","0.1235","","","","","","1.125","","","","has coordinates","188201","2020-10-21","18:00:00",""
"7040506","13.8429","0.0003","15.6696","0.0004","15.8357","0.0005","69.881","0.002","89.136","0.002","76.2616","0.0019","3124.72","0.15","170","2","170","2","","","","","","","","5","P -1","-P 1","2","","","","- C65 H76 I2 O5 U -","- C65 H76 I2 O5 U -","- C130 H152 I4 O10 U2 -","2","1","","Wells, Jordann A. L.; Seymour, Megan L.; Suvova, Markéta; Arnold, Polly L.","Dinuclear uranium complexation and manipulation using robust tetraaryloxides.","Dalton transactions (Cambridge, England : 2003)","2016","45","40","16026","16032","10.1039/c6dt02630c","","x-ray","0.71073","MoKα","","0.1012","0.0669","","","0.136","0.1526","","","","","","1.033","","","","has coordinates","188201","2020-10-21","18:00:00",""
"7040507","14.4316","0.0003","15.1187","0.0003","16.3119","0.0003","90.4479","0.0017","92.5407","0.0016","118.01","0.002","3137.41","0.12","170","2","170","2","","","","","","","","5","P -1","-P 1","2","","","","- C68 H83 I2 O6 U -","- C68 H83 I2 O6 U -","- C136 H166 I4 O12 U2 -","2","1","","Wells, Jordann A. L.; Seymour, Megan L.; Suvova, Markéta; Arnold, Polly L.","Dinuclear uranium complexation and manipulation using robust tetraaryloxides.","Dalton transactions (Cambridge, England : 2003)","2016","45","40","16026","16032","10.1039/c6dt02630c","","x-ray","0.71073","MoKα","","0.0617","0.0483","","","0.1199","0.128","","","","","","1.033","","","","has coordinates,has disorder","188201","2020-10-21","18:00:00",""
"7040508","12.9013","0.0003","18.8759","0.0004","21.4638","0.0004","65.3765","0.0019","88.1786","0.0017","88.345","0.0017","4748.53","0.19","170","2","170","2","","","","","","","","6","P -1","-P 1","2","","","","- C79 H141 N4 O4 Si8 U2 -","- C79 H141 N4 O4 Si8 U2 -","- C158 H282 N8 O8 Si16 U4 -","2","1","","Wells, Jordann A. L.; Seymour, Megan L.; Suvova, Markéta; Arnold, Polly L.","Dinuclear uranium complexation and manipulation using robust tetraaryloxides.","Dalton transactions (Cambridge, England : 2003)","2016","45","40","16026","16032","10.1039/c6dt02630c","","x-ray","0.71073","MoKα","","0.0947","0.054","","","0.0867","0.0964","","","","","","1.018","","","","has coordinates","188201","2020-10-21","18:00:00",""
"7040509","13.89502","0.00011","17.73106","0.00018","20.67049","0.00018","90","","94.3765","0.0008","90","","5077.81","0.08","170","2","170","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C44 H73 N2 O2 Si4 U -","- C44 H73 N2 O2 Si4 U -","- C176 H292 N8 O8 Si16 U4 -","4","1","","Wells, Jordann A. L.; Seymour, Megan L.; Suvova, Markéta; Arnold, Polly L.","Dinuclear uranium complexation and manipulation using robust tetraaryloxides.","Dalton transactions (Cambridge, England : 2003)","2016","45","40","16026","16032","10.1039/c6dt02630c","","x-ray","0.71073","MoKα","","0.0265","0.0194","","","0.0412","0.0431","","","","","","1.035","","","","has coordinates,has disorder","188201","2020-10-21","18:00:00",""
"7040510","13.1696","0.0003","13.7113","0.0003","20.4909","0.0004","105.652","0.0016","103.713","0.0017","95.6555","0.0016","3408.7","0.14","170","2","170","2","","","","","","","","6","P -1","-P 1","2","","","","- C71 H98 N2 O3 Si4 U -","- C71 H98 N2 O3 Si4 U -","- C142 H196 N4 O6 Si8 U2 -","2","1","","Wells, Jordann A. L.; Seymour, Megan L.; Suvova, Markéta; Arnold, Polly L.","Dinuclear uranium complexation and manipulation using robust tetraaryloxides.","Dalton transactions (Cambridge, England : 2003)","2016","45","40","16026","16032","10.1039/c6dt02630c","","x-ray","0.71073","MoKα","","0.0371","0.0294","","","0.0648","0.0675","","","","","","1.057","","","","has coordinates,has disorder","188201","2020-10-21","18:00:00",""
"7040511","18.5085","0.0006","18.5085","0.0006","22.9306","0.0011","90","","90","","120","","6802.8","0.5","296","","296","","","","","","","","","4","P 63/m m c","-P 6c 2c","194","","","","- C23 H9 Cu2 O12 -","- C23 H13 Cu2 O12 -","- C138 H78 Cu12 O72 -","6","0.25","","Yan, Yang-Tian; Zhang, Wen-Yan; Wu, Yun-Long; Li, Jiang; Xi, Zheng-Ping; Wang, Yao-Yu; Hou, Lei","Four new 3D metal-organic frameworks constructed by the asymmetrical pentacarboxylate: gas sorption behaviour and magnetic properties.","Dalton transactions (Cambridge, England : 2003)","2016","45","39","15473","15480","10.1039/c6dt02846b","","","1.54178","CuKα","","0.0901","0.0688","","","0.2346","0.2723","","","","","","1.067","","","","has coordinates,has disorder","188131","2020-10-21","18:00:00",""
"7040512","10.162","0.002","15.986","0.004","23.971","0.006","90","","99.582","0.004","90","","3839.8","1.6","296.15","","296.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C29 H26 Co2 N2 O11 -","- C29 H26 Co2 N2 O11 -","- C116 H104 Co8 N8 O44 -","4","1","","Yan, Yang-Tian; Zhang, Wen-Yan; Wu, Yun-Long; Li, Jiang; Xi, Zheng-Ping; Wang, Yao-Yu; Hou, Lei","Four new 3D metal-organic frameworks constructed by the asymmetrical pentacarboxylate: gas sorption behaviour and magnetic properties.","Dalton transactions (Cambridge, England : 2003)","2016","45","39","15473","15480","10.1039/c6dt02846b","","","0.71073","MoKα","","0.0869","0.0622","","","0.1857","0.2023","","","","","","1.047","","","","has coordinates,has disorder","188131","2020-10-21","18:00:00",""
"7040513","10.23","0.003","9.468","0.003","28.006","0.009","90","","98.048","0.006","90","","2685.9","1.4","296.15","","296.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C25 H19 Co2 N O11 -","- C25 H19 Co2 N O11 -","- C100 H76 Co8 N4 O44 -","4","1","","Yan, Yang-Tian; Zhang, Wen-Yan; Wu, Yun-Long; Li, Jiang; Xi, Zheng-Ping; Wang, Yao-Yu; Hou, Lei","Four new 3D metal-organic frameworks constructed by the asymmetrical pentacarboxylate: gas sorption behaviour and magnetic properties.","Dalton transactions (Cambridge, England : 2003)","2016","45","39","15473","15480","10.1039/c6dt02846b","","","0.71073","MoKα","","0.1186","0.0941","","","0.2758","0.3105","","","","","","1.067","","","","has coordinates","188131","2020-10-21","18:00:00",""
"7040514","10.615","0.0016","9.6419","0.0014","28.48","0.004","90","","94.819","0.003","90","","2904.6","0.7","296.15","","296.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H26 Mn2 N2 O12 -","- C28 H26 Mn2 N2 O12 -","- C112 H104 Mn8 N8 O48 -","4","1","","Yan, Yang-Tian; Zhang, Wen-Yan; Wu, Yun-Long; Li, Jiang; Xi, Zheng-Ping; Wang, Yao-Yu; Hou, Lei","Four new 3D metal-organic frameworks constructed by the asymmetrical pentacarboxylate: gas sorption behaviour and magnetic properties.","Dalton transactions (Cambridge, England : 2003)","2016","45","39","15473","15480","10.1039/c6dt02846b","","","0.71073","MoKα","","0.0568","0.0441","","","0.1212","0.1316","","","","","","1.05","","","","has coordinates","188131","2020-10-21","18:00:00",""
"7040515","11.943","0.004","13.19","0.005","19.096","0.007","90","","91.236","0.005","90","","3007.5","1.9","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C29 H30 N7 O10 Tb -","- C29 H30 N7 O10 Tb -","- C116 H120 N28 O40 Tb4 -","4","1","","Wen, Guo-Xuan; Han, Min-Le; Wu, Xue-Qian; Wu, Ya-Pan; Dong, Wen-Wen; Zhao, Jun; Li, Dong-Sheng; Ma, Lu-Fang","A multi-responsive luminescent sensor based on a super-stable sandwich-type terbium(iii)-organic framework.","Dalton transactions (Cambridge, England : 2003)","2016","45","39","15492","15499","10.1039/c6dt03057b","","","0.71073","MoKα","","0.0465","0.0396","","","0.0974","0.1023","","","","","","1.077","","","","has coordinates","188138","2020-10-21","18:00:00",""
"7040516","14.5621","0.001","15.2407","0.0011","25.3334","0.0016","90","","92.568","0.002","90","","5616.8","0.7","273","2","273","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C57 H50 Cl2 Cu2 F12 P4 -","- C57 H50 Cl2 Cu2 F12 P4 -","- C228 H200 Cl8 Cu8 F48 P16 -","4","1","","Zhang, Song-Lin; Bie, Wen-Feng","Ligand-dependent formation of ion-pair Cu(I)/Cu(III) trifluoromethyl complexes containing bisphosphines.","Dalton transactions (Cambridge, England : 2003)","2016","45","44","17588","17592","10.1039/c6dt03016e","","","0.71073","MoKα","","0.1284","0.1087","","","0.2327","0.2394","","","","","","1.279","","","","has coordinates,has disorder","190194","2020-10-21","18:00:00",""
"7040517","15.679","0.0006","14.122","0.0006","15.139","0.0008","90","","113.895","0.005","90","","3064.8","0.3","133","2","133","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C34 H28 Cl2 F2 N4 Pt -","- C34 H28 Cl2 F2 N4 Pt -","- C136 H112 Cl8 F8 N16 Pt4 -","4","0.5","","Rehm, Tobias; Rothemund, Matthias; Muenzner, Julienne K.; Noor, Awal; Kempe, Rhett; Schobert, Rainer","Novel cis-[(NHC)(1)(NHC)(2)(L)Cl]platinum(ii) complexes - synthesis, structures, and anticancer activities.","Dalton transactions (Cambridge, England : 2003)","2016","45","39","15390","","10.1039/c6dt02350a","","","0.71069","MoKα","","0.035","0.0267","","","0.0625","0.0639","","","","","","0.984","","","","has coordinates","187098","2020-10-21","18:00:00",""
"7040518","11.133","0.0004","29.778","0.0014","12.116","0.0004","90","","101.539","0.003","90","","3935.5","0.3","133","2","133","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C39 H42 Cl4 N4 O4 Pt -","- C39 H42 Cl4 N4 O4 Pt -","- C156 H168 Cl16 N16 O16 Pt4 -","4","1","","Rehm, Tobias; Rothemund, Matthias; Muenzner, Julienne K.; Noor, Awal; Kempe, Rhett; Schobert, Rainer","Novel cis-[(NHC)(1)(NHC)(2)(L)Cl]platinum(ii) complexes - synthesis, structures, and anticancer activities.","Dalton transactions (Cambridge, England : 2003)","2016","45","39","15390","","10.1039/c6dt02350a","","","0.71069","MoKα","","0.0931","0.0575","","","0.1342","0.1494","","","","","","0.934","","","","has coordinates","187098","2020-10-21","18:00:00",""
"7040519","11.446","0.0004","11.752","0.0004","19.712","0.0008","75.959","0.003","74.604","0.003","73.708","0.003","2412.88","0.16","133","2","133","2","","","","","","","","7","P -1","-P 1","2","","","","- C53 H53 Cl4 N4 O2 P Pt -","- C53 H53 Cl4 N4 O2 P Pt -","- C106 H106 Cl8 N8 O4 P2 Pt2 -","2","1","","Rehm, Tobias; Rothemund, Matthias; Muenzner, Julienne K.; Noor, Awal; Kempe, Rhett; Schobert, Rainer","Novel cis-[(NHC)(1)(NHC)(2)(L)Cl]platinum(ii) complexes - synthesis, structures, and anticancer activities.","Dalton transactions (Cambridge, England : 2003)","2016","45","39","15390","","10.1039/c6dt02350a","","","0.71069","MoKα","","0.0794","0.0582","","","0.1436","0.1538","","","","","","0.994","","","","has coordinates","187098","2020-10-21","18:00:00",""
"7040520","7.538","0.0003","33.648","0.0012","12.181","0.0005","90","","95.951","0.003","90","","3072.9","0.2","133","2","133","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C34 H32 Cl2 N4 Pt -","- C34 H32 Cl2 N4 Pt -","- C136 H128 Cl8 N16 Pt4 -","4","1","","Rehm, Tobias; Rothemund, Matthias; Muenzner, Julienne K.; Noor, Awal; Kempe, Rhett; Schobert, Rainer","Novel cis-[(NHC)(1)(NHC)(2)(L)Cl]platinum(ii) complexes - synthesis, structures, and anticancer activities.","Dalton transactions (Cambridge, England : 2003)","2016","45","39","15390","","10.1039/c6dt02350a","","","0.71069","MoKα","","0.0471","0.0276","","","0.0579","0.0601","","","","","","0.766","","","","has coordinates","187098","2020-10-21","18:00:00",""
"7040521","12.7462","0.0003","14.3166","0.0003","15.141","0.0003","113.057","0.001","97.597","0.001","108.392","0.001","2306.55","0.09","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C74 H114 Cl8 Mo6 N2 O18 S6 -","- C74 H114 Cl8 Mo6 N2 O18 S6 -","- C74 H114 Cl8 Mo6 N2 O18 S6 -","1","0.5","","Efremova, Olga A.; Vorotnikov, Yuri A.; Brylev, Konstantin A.; Vorotnikova, Natalya A.; Novozhilov, Igor N.; Kuratieva, Natalia V.; Edeleva, Mariya V.; Benoit, David M.; Kitamura, Noboru; Mironov, Yuri V.; Shestopalov, Michael A.; Sutherland, Andrew J.","Octahedral molybdenum cluster complexes with aromatic sulfonate ligands.","Dalton transactions (Cambridge, England : 2003)","2016","45","39","15427","","10.1039/c6dt02863b","","x-ray","0.71073","MoKα","","0.0329","0.0244","","","0.0573","0.0598","","","","","","1.042","","","","has coordinates","187091","2020-10-21","18:00:00",""
"7040522","13.1689","0.0012","16.0893","0.0015","26.593","0.003","89.503","0.003","80.255","0.003","77.328","0.003","5415.5","0.9","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C79.5 H129 Br8 Mo6 N2 O20.5 S6 -","- C79.5 H126.97 Br8 Mo6 N2 O20.49 S6 -","- C159 H253.94 Br16 Mo12 N4 O40.98 S12 -","2","1","","Efremova, Olga A.; Vorotnikov, Yuri A.; Brylev, Konstantin A.; Vorotnikova, Natalya A.; Novozhilov, Igor N.; Kuratieva, Natalia V.; Edeleva, Mariya V.; Benoit, David M.; Kitamura, Noboru; Mironov, Yuri V.; Shestopalov, Michael A.; Sutherland, Andrew J.","Octahedral molybdenum cluster complexes with aromatic sulfonate ligands.","Dalton transactions (Cambridge, England : 2003)","2016","45","39","15427","","10.1039/c6dt02863b","","x-ray","0.71073","MoKα","","0.1009","0.0716","","","0.199","0.2145","","","","","","1.137","","","","has coordinates,has disorder","187091","2020-10-21","18:00:00",""
"7040523","13.3332","0.0004","16.2281","0.0004","27.0837","0.0007","89.318","0.001","79.866","0.001","77.784","0.001","5636.2","0.3","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C77 H123 I8 Mo6 N2 O20.5 S6 -","- C77 H120 I8 Mo6 N2 O20.5 S6 -","- C154 H240 I16 Mo12 N4 O41 S12 -","2","1","","Efremova, Olga A.; Vorotnikov, Yuri A.; Brylev, Konstantin A.; Vorotnikova, Natalya A.; Novozhilov, Igor N.; Kuratieva, Natalia V.; Edeleva, Mariya V.; Benoit, David M.; Kitamura, Noboru; Mironov, Yuri V.; Shestopalov, Michael A.; Sutherland, Andrew J.","Octahedral molybdenum cluster complexes with aromatic sulfonate ligands.","Dalton transactions (Cambridge, England : 2003)","2016","45","39","15427","","10.1039/c6dt02863b","","x-ray","0.71073","MoKα","","0.0601","0.047","","","0.1187","0.1258","","","","","","1.063","","","","has coordinates,has disorder","187091","2020-10-21","18:00:00",""
"7040524","13.5356","0.0008","13.9036","0.0009","24.347","0.0016","79.404","0.002","82.714","0.002","89.574","0.002","4466.9","0.5","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C68 H102 Cl8 Mo6 N2 O18 S6 -","- C68 H102 Cl8 Mo6 N2 O18 S6 -","- C136 H204 Cl16 Mo12 N4 O36 S12 -","2","1","","Efremova, Olga A.; Vorotnikov, Yuri A.; Brylev, Konstantin A.; Vorotnikova, Natalya A.; Novozhilov, Igor N.; Kuratieva, Natalia V.; Edeleva, Mariya V.; Benoit, David M.; Kitamura, Noboru; Mironov, Yuri V.; Shestopalov, Michael A.; Sutherland, Andrew J.","Octahedral molybdenum cluster complexes with aromatic sulfonate ligands.","Dalton transactions (Cambridge, England : 2003)","2016","45","39","15427","","10.1039/c6dt02863b","","x-ray","0.71073","MoKα","","0.1035","0.0748","","","0.1786","0.194","","","","","","1.155","","","","has coordinates,has disorder","187091","2020-10-21","18:00:00",""
"7040525","13.5246","0.0006","13.9726","0.0006","24.5968","0.0013","79.34","0.002","82.933","0.002","89.376","0.002","4532.9","0.4","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C68 H102 Br8 Mo6 N2 O18 S6 -","- C68 H102 Br8 Mo6 N2 O18 S6 -","- C136 H204 Br16 Mo12 N4 O36 S12 -","2","1","","Efremova, Olga A.; Vorotnikov, Yuri A.; Brylev, Konstantin A.; Vorotnikova, Natalya A.; Novozhilov, Igor N.; Kuratieva, Natalia V.; Edeleva, Mariya V.; Benoit, David M.; Kitamura, Noboru; Mironov, Yuri V.; Shestopalov, Michael A.; Sutherland, Andrew J.","Octahedral molybdenum cluster complexes with aromatic sulfonate ligands.","Dalton transactions (Cambridge, England : 2003)","2016","45","39","15427","","10.1039/c6dt02863b","","x-ray","0.71073","MoKα","","0.0878","0.0497","","","0.1188","0.128","","","","","","1.095","","","","has coordinates","187091","2020-10-21","18:00:00",""
"7040526","11.6975","0.0005","14.4607","0.0006","15.3745","0.0007","68.676","0.001","70.639","0.001","77.543","0.001","2272.18","0.17","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C68 H102 I8 Mo6 N2 O18 S6 -","- C68 H102 I8 Mo6 N2 O18 S6 -","- C68 H102 I8 Mo6 N2 O18 S6 -","1","0.5","","Efremova, Olga A.; Vorotnikov, Yuri A.; Brylev, Konstantin A.; Vorotnikova, Natalya A.; Novozhilov, Igor N.; Kuratieva, Natalia V.; Edeleva, Mariya V.; Benoit, David M.; Kitamura, Noboru; Mironov, Yuri V.; Shestopalov, Michael A.; Sutherland, Andrew J.","Octahedral molybdenum cluster complexes with aromatic sulfonate ligands.","Dalton transactions (Cambridge, England : 2003)","2016","45","39","15427","","10.1039/c6dt02863b","","x-ray","0.71073","MoKα","","0.0437","0.0301","","","0.0586","0.0628","","","","","","1.005","","","","has coordinates,has disorder","187091","2020-10-21","18:00:00",""
"7040527","6.8808","0.0018","13.354","0.003","15.942","0.004","89.832","0.006","81.391","0.006","75.199","0.006","1399.3","0.6","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C5 H12 N9 O10.5 -","- C5 H12 N9 O10.5 -","- C20 H48 N36 O42 -","4","2","","Li, Ying; Huang, Haifeng; Lin, Xiangyang; Pan, Renming; Yang, Jun","Novel dinitromethyl-featured polynitro energetic salts.","Dalton transactions (Cambridge, England : 2003)","2016","45","39","15644","15650","10.1039/c6dt03239g","","","0.71073","MoKα","","0.1098","0.0693","","","0.1579","0.1805","","","","","","1.021","","","","has coordinates","192220","2020-10-21","18:00:00",""
"7040528","5.242071","0.000096","5.242071","0.000096","11.46775","0.00023","90","","90","","90","","315.126","0.01","300","","300","","","","","","","","","7","I 41/a :2","-I 4ad","88","","","","- Ca1.33 Er0.07 La0.67 Mo4 Na1.33 O16 Yb0.6 -","- Ca1.33333 Er0.0666667 La0.666667 Mo4 Na1.33333 O16 Yb0.6 -","- Ca1.33333 Er0.0666667 La0.666667 Mo4 Na1.33333 O16 Yb0.6 -","1","0.0625","","Lim, Chang Sung; Aleksandrovsky, Aleksandr S.; Molokeev, Maxim S.; Oreshonkov, Aleksandr S.; Ikonnikov, Denis A.; Atuchin, Victor V.","Triple molybdate scheelite-type upconversion phosphor NaCaLa(MoO4)3:Er(3+)/Yb(3+): structural and spectroscopic properties.","Dalton transactions (Cambridge, England : 2003)","2016","45","39","15541","15551","10.1039/c6dt02378a","powder diffraction","x-ray","1.5406","CuKα~1~~2~","","","","","","","","","1.65","1.116","","","","","","","has coordinates","205493","2020-10-21","18:00:00",""
"7040529","5.29916","0.00013","5.29916","0.00013","11.62227","0.00028","90","","90","","90","","326.366","0.014","300","","300","","","","","","","","","5","I 41/a :2","-I 4ad","88","","","","- Ca1.33 La1.33 Mo4 Na1.33 O16 -","- Ca1.33333 La1.33333 Mo4 Na1.33333 O16 -","- Ca1.33333 La1.33333 Mo4 Na1.33333 O16 -","1","0.0625","","Lim, Chang Sung; Aleksandrovsky, Aleksandr S.; Molokeev, Maxim S.; Oreshonkov, Aleksandr S.; Ikonnikov, Denis A.; Atuchin, Victor V.","Triple molybdate scheelite-type upconversion phosphor NaCaLa(MoO4)3:Er(3+)/Yb(3+): structural and spectroscopic properties.","Dalton transactions (Cambridge, England : 2003)","2016","45","39","15541","15551","10.1039/c6dt02378a","powder diffraction","x-ray","1.5406","CuKα~1~~2~","","","","","","","","","5.29","1.2","","","","","","","has coordinates","205493","2020-10-21","18:00:00",""
"7040530","5.26749","0.00013","5.26749","0.00013","11.53772","0.00032","90","","90","","90","","320.131","0.014","300","","300","","","","","","","","","7","I 41/a :2","-I 4ad","88","","","","- Ca1.33 Er0.13 La0.93 Mo4 Na1.33 O16 Yb0.27 -","- Ca1.33333 Er0.133333 La0.933333 Mo4 Na1.33333 O16 Yb0.266667 -","- Ca1.33333 Er0.133333 La0.933333 Mo4 Na1.33333 O16 Yb0.266667 -","1","0.0625","","Lim, Chang Sung; Aleksandrovsky, Aleksandr S.; Molokeev, Maxim S.; Oreshonkov, Aleksandr S.; Ikonnikov, Denis A.; Atuchin, Victor V.","Triple molybdate scheelite-type upconversion phosphor NaCaLa(MoO4)3:Er(3+)/Yb(3+): structural and spectroscopic properties.","Dalton transactions (Cambridge, England : 2003)","2016","45","39","15541","15551","10.1039/c6dt02378a","powder diffraction","x-ray","1.5406","CuKα~1~~2~","","","","","","","","","2.09","1.15","","","","","","","has coordinates","205493","2020-10-21","18:00:00",""
"7040531","5.28062","0.00015","5.28062","0.00015","11.57258","0.00034","90","","90","","90","","322.701","0.016","300","","300","","","","","","","","","6","I 41/a :2","-I 4ad","88","","","","- Ca1.33 Er0.27 La1.07 Mo4 Na1.33 O16 -","- Ca1.33333 Er0.266667 La1.06667 Mo4 Na1.33333 O16 -","- Ca1.33333 Er0.266667 La1.06667 Mo4 Na1.33333 O16 -","1","0.0625","","Lim, Chang Sung; Aleksandrovsky, Aleksandr S.; Molokeev, Maxim S.; Oreshonkov, Aleksandr S.; Ikonnikov, Denis A.; Atuchin, Victor V.","Triple molybdate scheelite-type upconversion phosphor NaCaLa(MoO4)3:Er(3+)/Yb(3+): structural and spectroscopic properties.","Dalton transactions (Cambridge, England : 2003)","2016","45","39","15541","15551","10.1039/c6dt02378a","powder diffraction","x-ray","1.5406","CuKα~1~~2~","","","","","","","","","3.15","1.126","","","","","","","has coordinates","205493","2020-10-21","18:00:00",""
"7040532","11.948","0.002","7.674","0.002","17.388","0.003","90","","96.537","0.004","90","","1583.9","0.6","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C14 H15 Cl3 N2 Pd -","- C14 H15 Cl3 N2 Pd -","- C56 H60 Cl12 N8 Pd4 -","4","1","","Rosar, V.; Dedeic, D.; Nobile, T.; Fini, F.; Balducci, G.; Alessio, E.; Carfagna, C.; Milani, B.","Palladium complexes with simple iminopyridines as catalysts for polyketone synthesis.","Dalton transactions (Cambridge, England : 2003)","2016","45","37","14609","14619","10.1039/c6dt02992b","","","0.7","synchrotron","","0.0288","0.0288","","","0.0823","0.0824","","","","","","1.051","","","","has coordinates","187149","2020-10-21","18:00:00",""
"7040533","11","0.009","7.808","0.003","19.367","0.005","90","","104.43","0.02","90","","1610.9","1.5","100","2","100","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C31 H36 Cl4 N4 Pd2 -","- C31 H36 Cl4 N4 Pd2 -","- C62 H72 Cl8 N8 Pd4 -","2","0.5","","Rosar, V.; Dedeic, D.; Nobile, T.; Fini, F.; Balducci, G.; Alessio, E.; Carfagna, C.; Milani, B.","Palladium complexes with simple iminopyridines as catalysts for polyketone synthesis.","Dalton transactions (Cambridge, England : 2003)","2016","45","37","14609","14619","10.1039/c6dt02992b","","","0.7","synchrotron","","0.0217","0.0216","","","0.0578","0.0579","","","","","","1.215","","","","has coordinates","187149","2020-10-21","18:00:00",""
"7040534","9.743","0.0018","18.454","0.001","15.501","0.0015","90","","100.638","0.013","90","","2739.1","0.6","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C14 H15 Cl N2 Pd -","- C14 H15 Cl N2 Pd -","- C112 H120 Cl8 N16 Pd8 -","8","2","","Rosar, V.; Dedeic, D.; Nobile, T.; Fini, F.; Balducci, G.; Alessio, E.; Carfagna, C.; Milani, B.","Palladium complexes with simple iminopyridines as catalysts for polyketone synthesis.","Dalton transactions (Cambridge, England : 2003)","2016","45","37","14609","14619","10.1039/c6dt02992b","","","0.7","synchrotron","","0.0257","0.0257","","","0.0703","0.0703","","","","","","1.19","","","","has coordinates","187149","2020-10-21","18:00:00",""
"7040535","7.488","0.0016","12.883","0.0013","16.337","0.0014","90","","100.72","0.005","90","","1548.5","0.4","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C16 H19 Cl N2 Pd -","- C16 H19 Cl N2 Pd -","- C64 H76 Cl4 N8 Pd4 -","4","1","","Rosar, V.; Dedeic, D.; Nobile, T.; Fini, F.; Balducci, G.; Alessio, E.; Carfagna, C.; Milani, B.","Palladium complexes with simple iminopyridines as catalysts for polyketone synthesis.","Dalton transactions (Cambridge, England : 2003)","2016","45","37","14609","14619","10.1039/c6dt02992b","","","0.7","synchrotron","","0.0259","0.0258","","","0.0745","0.0746","","","","","","1.092","","","","has coordinates","187149","2020-10-21","18:00:00",""
"7040536","20.6125","0.0014","9.4687","0.0007","26.8611","0.0018","90","","110.255","0.002","90","","4918.4","0.6","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C82 H90 F24 N10 O31.2 -","- C82 H90 F24 N10 O31.2 -","- C164 H180 F48 N20 O62.4 -","2","0.5","","Załubiniak, Dominika; Zakrzewski, Maciej; Piątek, Piotr","Highly effective ion-pair receptors based on 2,2-bis(aminomethyl)-propionic acid.","Dalton transactions (Cambridge, England : 2003)","2016","45","39","15557","15564","10.1039/c6dt02833k","","","1.54178","CuKα","","0.1245","0.1048","","","0.2816","0.3021","","","","","","1.054","","","","has coordinates,has disorder","188142","2020-10-21","18:00:00",""
"7040537","11.52064","0.00015","11.52064","0.00015","22.9152","0.0003","90","","90","","120","","2633.95","0.06","150","0.1","150","0.1","","","","","","","","6","P 32","P 32","145","","","","- C39 H38 Cl2 O3 P2 Pt -","- C39 H38 Cl2 O3 P2 Pt -","- C117 H114 Cl6 O9 P6 Pt3 -","3","1","","Fleming, James T.; Wills, Corinne; Waddell, Paul G.; Harrington, Ross W.; Higham, Lee J.","A comparison of MOP-phosphonite ligands and their applications in Rh(i)- and Pd(ii)-catalysed asymmetric transformations.","Dalton transactions (Cambridge, England : 2003)","2016","45","39","15660","15670","10.1039/c6dt02390h","","","0.71073","MoKα","","0.0227","0.02","","","0.0353","0.0363","","","","","","1.048","","","","has coordinates","188128","2020-10-21","18:00:00",""
"7040538","10.4774","0.0002","10.4774","0.0002","49.1495","0.0016","90","","90","","120","","4672.6","0.2","150","0.2","150","0.2","","","","","","","","6","P 65","P 65","170","","","","- C40 H33 Cl O2 P Rh -","- C40 H33 Cl O2 P Rh -","- C240 H198 Cl6 O12 P6 Rh6 -","6","1","","Fleming, James T.; Wills, Corinne; Waddell, Paul G.; Harrington, Ross W.; Higham, Lee J.","A comparison of MOP-phosphonite ligands and their applications in Rh(i)- and Pd(ii)-catalysed asymmetric transformations.","Dalton transactions (Cambridge, England : 2003)","2016","45","39","15660","15670","10.1039/c6dt02390h","","","0.71073","MoKα","","0.0591","0.0574","","","0.108","0.109","","","","","","1.22","","","","has coordinates","188128","2020-10-21","18:00:00",""
"7040539","10.6324","0.0003","10.6324","0.0003","24.9502","0.0008","90","","90","","120","","2442.68","0.13","150","2","150","0.2","","","","","","","","6","P 32","P 32","145","","","","- C41 H35 Cl O3 P Rh -","- C41 H35 Cl O3 P Rh -","- C123 H105 Cl3 O9 P3 Rh3 -","3","1","","Fleming, James T.; Wills, Corinne; Waddell, Paul G.; Harrington, Ross W.; Higham, Lee J.","A comparison of MOP-phosphonite ligands and their applications in Rh(i)- and Pd(ii)-catalysed asymmetric transformations.","Dalton transactions (Cambridge, England : 2003)","2016","45","39","15660","15670","10.1039/c6dt02390h","","","0.71073","MoKα","","0.0413","0.0351","","","0.0638","0.068","","","","","","1.068","","","","has coordinates","188128","2020-10-21","18:00:00",""
"7040540","10.46454","0.0001","18.62602","0.00018","18.5228","0.0002","90","","92.093","0.0009","90","","3607.92","0.06","150","0.2","150","0.2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C42 H37 Cl O2 P Rh -","- C42 H37 Cl O2 P Rh -","- C168 H148 Cl4 O8 P4 Rh4 -","4","2","","Fleming, James T.; Wills, Corinne; Waddell, Paul G.; Harrington, Ross W.; Higham, Lee J.","A comparison of MOP-phosphonite ligands and their applications in Rh(i)- and Pd(ii)-catalysed asymmetric transformations.","Dalton transactions (Cambridge, England : 2003)","2016","45","39","15660","15670","10.1039/c6dt02390h","","","0.71073","MoKα","","0.0439","0.034","","","0.0763","0.0802","","","","","","1.06","","","","has coordinates,has disorder","188128","2020-10-21","18:00:00",""
"7040541","9.6917","0.00006","17.44304","0.00012","20.04701","0.00013","90","","90.6504","0.0006","90","","3388.78","0.04","150","0.2","150","0.2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C43 H39 Cl O3 P Rh -","- C43 H39 Cl O3 P Rh -","- C172 H156 Cl4 O12 P4 Rh4 -","4","2","","Fleming, James T.; Wills, Corinne; Waddell, Paul G.; Harrington, Ross W.; Higham, Lee J.","A comparison of MOP-phosphonite ligands and their applications in Rh(i)- and Pd(ii)-catalysed asymmetric transformations.","Dalton transactions (Cambridge, England : 2003)","2016","45","39","15660","15670","10.1039/c6dt02390h","","x-ray","0.71073","MoKα","","0.0401","0.0344","","","0.0845","0.0877","","","","","","1.059","","","","has coordinates","188128","2020-10-21","18:00:00",""
"7040542","11.5925","0.0009","21.8177","0.0011","14.4054","0.0011","90","","111.477","0.008","90","","3390.5","0.4","150","0.1","150","0.1","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C71 H53 Cl11 O4 P2 Pd -","- C71 H53 Cl11 O4 P2 Pd -","- C142 H106 Cl22 O8 P4 Pd2 -","2","1","","Fleming, James T.; Wills, Corinne; Waddell, Paul G.; Harrington, Ross W.; Higham, Lee J.","A comparison of MOP-phosphonite ligands and their applications in Rh(i)- and Pd(ii)-catalysed asymmetric transformations.","Dalton transactions (Cambridge, England : 2003)","2016","45","39","15660","15670","10.1039/c6dt02390h","","","0.71073","MoKα","","0.0608","0.0455","","","0.081","0.0892","","","","","","1.033","","","","has coordinates,has disorder","188128","2020-10-21","18:00:00",""
"7040543","11.5492","0.00012","17.8123","0.00017","29.1165","0.0003","90","","90","","90","","5989.78","0.1","150.01","0.1","150.01","0.1","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C69 H51 Cl5 O4 P2 Pd -","- C69 H51 Cl5 O4 P2 Pd -","- C276 H204 Cl20 O16 P8 Pd4 -","4","1","","Fleming, James T.; Wills, Corinne; Waddell, Paul G.; Harrington, Ross W.; Higham, Lee J.","A comparison of MOP-phosphonite ligands and their applications in Rh(i)- and Pd(ii)-catalysed asymmetric transformations.","Dalton transactions (Cambridge, England : 2003)","2016","45","39","15660","15670","10.1039/c6dt02390h","","","1.54184","CuKα","","0.0289","0.0266","","","0.0627","0.0643","","","","","","1.048","","","","has coordinates","188128","2020-10-21","18:00:00",""
"7040544","11.2896","0.0001","20.94262","0.00017","14.09792","0.00013","90","","101.713","0.0008","90","","3263.82","0.05","150","0.2","150","0.2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C70 H54 Cl2 O6 P2 Pd -","- C70 H54 Cl2 O6 P2 Pd -","- C140 H108 Cl4 O12 P4 Pd2 -","2","1","","Fleming, James T.; Wills, Corinne; Waddell, Paul G.; Harrington, Ross W.; Higham, Lee J.","A comparison of MOP-phosphonite ligands and their applications in Rh(i)- and Pd(ii)-catalysed asymmetric transformations.","Dalton transactions (Cambridge, England : 2003)","2016","45","39","15660","15670","10.1039/c6dt02390h","","","1.54184","CuKα","","0.0329","0.0293","","","0.069","0.071","","","","","","1.035","","","","has coordinates","188128","2020-10-21","18:00:00",""
"7040545","11.7059","0.0002","16.9283","0.0003","17.995","0.0004","73.4211","0.0018","73.7906","0.0017","89.1816","0.0015","3273.52","0.12","150","0.2","150","0.2","","","","","","","","7","P 1","P 1","1","","","","- C70 H54 B F4 O6 P2 Rh -","- C70 H54 B F4 O6 P2 Rh -","- C140 H108 B2 F8 O12 P4 Rh2 -","2","2","","Fleming, James T.; Wills, Corinne; Waddell, Paul G.; Harrington, Ross W.; Higham, Lee J.","A comparison of MOP-phosphonite ligands and their applications in Rh(i)- and Pd(ii)-catalysed asymmetric transformations.","Dalton transactions (Cambridge, England : 2003)","2016","45","39","15660","15670","10.1039/c6dt02390h","","","1.54184","CuKα","","0.0539","0.0455","","","0.1105","0.1155","","","","","","1.053","","","","has coordinates,has disorder","188128","2020-10-21","18:00:00",""
"7040546","17.59","0.0009","15.9186","0.0007","19.3836","0.0009","90","","96.503","0.003","90","","5392.6","0.4","100","1","100","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H45 Bi3 I12 N6 -","- C24 H45 Bi3 I12 N6 -","- C96 H180 Bi12 I48 N24 -","4","1","","Loor, M.; Bendt, G.; Hagemann, U.; Wölper, C; Assenmacher, W.; Schulz, S.","Synthesis of Bi2Te3 and (BixSb1-x)2Te3 nanoparticles using the novel IL [C4mim]3[Bi3I12].","Dalton transactions (Cambridge, England : 2003)","2016","45","39","15326","15335","10.1039/c6dt02361d","","","0.71073","MoKα","","0.1103","0.0423","","","0.0687","0.0864","","","","","","1.02","","","","has coordinates","188129","2020-10-21","18:00:00",""
"7040547","14.775","0.005","18.811","0.005","19.639","0.006","90","","90","","90","","5458","3","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C41 H75 Cl6 Cu3 N10 O7.5 -","- C41 H75 Cl6 Cu3 N10 O7.5 -","- C164 H300 Cl24 Cu12 N40 O30 -","4","1","","Löffler, Marta; Gregoliński, Janusz; Korabik, Maria; Lis, Tadeusz; Lisowski, Jerzy","Multinuclear Ni(ii), Cu(ii) and Zn(ii) complexes of chiral macrocyclic nonaazamine.","Dalton transactions (Cambridge, England : 2003)","2016","45","39","15586","15594","10.1039/c6dt02504h","","","0.71073","MoKα","","0.091","0.0595","","","0.0948","0.1082","","","","","","1.018","","","","has coordinates,has disorder","188130","2020-10-21","18:00:00",""
"7040548","13.592","0.005","15.27","0.007","24.284","0.012","90","","90","","90","","5040","4","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C39.8 H70.6 Cl6 N9.4 Ni3 O6.2 -","- C39.8 H70.6 Cl6 N9.4 Ni3 O6.2 -","- C159.2 H282.4 Cl24 N37.6 Ni12 O24.8 -","4","1","","Löffler, Marta; Gregoliński, Janusz; Korabik, Maria; Lis, Tadeusz; Lisowski, Jerzy","Multinuclear Ni(ii), Cu(ii) and Zn(ii) complexes of chiral macrocyclic nonaazamine.","Dalton transactions (Cambridge, England : 2003)","2016","45","39","15586","15594","10.1039/c6dt02504h","","","0.71073","MoKα","","0.1728","0.0767","","","0.083","0.0943","","","","","","1","","","","has coordinates,has disorder","188130","2020-10-21","18:00:00",""
"7040549","26.227","0.008","12.494","0.003","16.625","0.004","90","","92.55","0.02","90","","5442","2","110","2","110","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C40.8 H68.6 Cl9 N9 O3.7 Zn3 -","- C40.8 H62 Cl9 N9 O4.5 Zn3 -","- C163.2 H248 Cl36 N36 O18 Zn12 -","4","1","","Löffler, Marta; Gregoliński, Janusz; Korabik, Maria; Lis, Tadeusz; Lisowski, Jerzy","Multinuclear Ni(ii), Cu(ii) and Zn(ii) complexes of chiral macrocyclic nonaazamine.","Dalton transactions (Cambridge, England : 2003)","2016","45","39","15586","15594","10.1039/c6dt02504h","","","0.71073","MoKα","","0.0792","0.0602","","","0.1492","0.1559","","","","","","1.03","","","","has coordinates,has disorder","188130","2020-10-21","18:00:00",""
"7040550","9.1583","0.0009","10.015","0.0008","10.7858","0.0005","66.836","0.006","73.262","0.007","72.681","0.008","851.67","0.13","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C19 H22 Mo O2 -","- C19 H22 Mo O2 -","- C38 H44 Mo2 O4 -","2","1","","Ramalakshmi, Rongala; Maheswari, K.; Sharmila, Dudekula; Paul, Anamika; Roisnel, Thierry; Halet, Jean-François; Ghosh, Sundargopal","Reactivity of cyclopentadienyl transition metal(ii) complexes with borate ligands: structural characterization of the toluene-activated molybdenum complex [Cp*Mo(CO)2(η(3)-CH2C6H5)].","Dalton transactions (Cambridge, England : 2003)","2016","45","41","16317","16324","10.1039/c6dt02641a","","","0.71073","MoKα","","0.0526","0.0437","","","0.1004","0.1095","","","","","","1.018","","","","has coordinates,has disorder","188160","2020-10-21","18:00:00",""
"7040551","7.6144","0.0003","8.3214","0.0004","16.6856","0.0007","77.412","0.002","88.615","0.002","66.58","0.002","944.52","0.07","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C19 H19 Mo N O2 S2 -","- C19 H19 Mo N O2 S2 -","- C38 H38 Mo2 N2 O4 S4 -","2","1","","Ramalakshmi, Rongala; Maheswari, K.; Sharmila, Dudekula; Paul, Anamika; Roisnel, Thierry; Halet, Jean-François; Ghosh, Sundargopal","Reactivity of cyclopentadienyl transition metal(ii) complexes with borate ligands: structural characterization of the toluene-activated molybdenum complex [Cp*Mo(CO)2(η(3)-CH2C6H5)].","Dalton transactions (Cambridge, England : 2003)","2016","45","41","16317","16324","10.1039/c6dt02641a","","","0.71073","MoKα","","0.041","0.0342","","","0.0705","0.0732","","","","","","1.052","","","","has coordinates","188160","2020-10-21","18:00:00",""
"7040552","54.393","0.003","8.1444","0.0004","9.4966","0.0004","90","","90","","90","","4207","0.4","150","","150","","","","","","","","synthesis as described","6","P n a 21","P 2c -2n","33","","","","- C14 H9 Fe N O2 S2 -","- C14 H9 Fe N O2 S2 -","- C168 H108 Fe12 N12 O24 S24 -","12","3","","Ramalakshmi, Rongala; Maheswari, K.; Sharmila, Dudekula; Paul, Anamika; Roisnel, Thierry; Halet, Jean-François; Ghosh, Sundargopal","Reactivity of cyclopentadienyl transition metal(ii) complexes with borate ligands: structural characterization of the toluene-activated molybdenum complex [Cp*Mo(CO)2(η(3)-CH2C6H5)].","Dalton transactions (Cambridge, England : 2003)","2016","45","41","16317","16324","10.1039/c6dt02641a","","x-ray","0.71073","MoKα","","0.0747","0.0717","","","0.1761","0.1777","","","","","","1.133","","","","has coordinates","192220","2020-10-21","18:00:00",""
"7040553","7.3073","0.001","7.4344","0.0012","11.3494","0.0017","96.919","0.005","98.64","0.005","100.293","0.005","592.84","0.15","150","","150","","","","","","","","synthesis as described","6","P -1","-P 1","2","","","","- C12 H9 Fe N O2 S -","- C12 H9 Fe N O2 S -","- C24 H18 Fe2 N2 O4 S2 -","2","1","","Ramalakshmi, Rongala; Maheswari, K.; Sharmila, Dudekula; Paul, Anamika; Roisnel, Thierry; Halet, Jean-François; Ghosh, Sundargopal","Reactivity of cyclopentadienyl transition metal(ii) complexes with borate ligands: structural characterization of the toluene-activated molybdenum complex [Cp*Mo(CO)2(η(3)-CH2C6H5)].","Dalton transactions (Cambridge, England : 2003)","2016","45","41","16317","16324","10.1039/c6dt02641a","","x-ray","0.71073","MoKα","","0.0771","0.0698","","","0.2165","0.2198","","","","","","1.283","","","","has coordinates","188160","2020-10-21","18:00:00",""
"7040554","14.6233","0.0016","11.5742","0.0013","14.9934","0.0017","90","","97.278","0.001","90","","2517.2","0.5","100","2","100","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C14 H25 Co Cr N2 O18 -","- C14 H25 Co Cr N2 O18 -","- C56 H100 Co4 Cr4 N8 O72 -","4","1","","Sakurai, Takahiro; Saiki, Ryo; Wei, Rong Jia; Newton, Graham N.; Shiga, Takuya; Oshio, Hiroki","Oxalate-bridged heterometallic chains with monocationic dabco derivatives.","Dalton transactions (Cambridge, England : 2003)","2016","45","41","16182","16189","10.1039/c6dt02955h","","","0.71073","MoKα","","0.0274","0.0273","","","0.0714","0.0714","","","","","","1.114","","","","has coordinates","188163","2020-10-21","18:00:00",""
"7040555","14.632","0.005","11.548","0.005","15.017","0.005","90","","97.246","0.005","90","","2517.2","1.6","100","2","100","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C14 H29 Cr N2 O18 Zn -","- C14 H25 Cr N2 O18 Zn -","- C56 H100 Cr4 N8 O72 Zn4 -","4","1","","Sakurai, Takahiro; Saiki, Ryo; Wei, Rong Jia; Newton, Graham N.; Shiga, Takuya; Oshio, Hiroki","Oxalate-bridged heterometallic chains with monocationic dabco derivatives.","Dalton transactions (Cambridge, England : 2003)","2016","45","41","16182","16189","10.1039/c6dt02955h","","","0.71069","MoKα","","0.0378","0.0374","","","0.0986","0.0989","","","","","","1.018","","","","has coordinates","188163","2020-10-21","18:00:00",""
"7040556","9.085","0.002","13.921","0.004","10.159","0.003","90","","115.178","0.005","90","","1162.8","0.5","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C17 H27 Co Cr N2 O14 -","- C17 H27 Co Cr N2 O14 -","- C34 H54 Co2 Cr2 N4 O28 -","2","1","","Sakurai, Takahiro; Saiki, Ryo; Wei, Rong Jia; Newton, Graham N.; Shiga, Takuya; Oshio, Hiroki","Oxalate-bridged heterometallic chains with monocationic dabco derivatives.","Dalton transactions (Cambridge, England : 2003)","2016","45","41","16182","16189","10.1039/c6dt02955h","","","0.71073","MoKα","","0.0939","0.0812","","","0.151","0.1578","","","","","","1.085","","","","has coordinates","188163","2020-10-21","18:00:00",""
"7040557","8.75","0.005","13.866","0.005","10.267","0.005","90","0.005","113.271","0.005","90","0.005","1144.3","1","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C17 H27 Cr N2 O14 Zn -","- C17 H27 Cr N2 O14 Zn -","- C34 H54 Cr2 N4 O28 Zn2 -","2","1","","Sakurai, Takahiro; Saiki, Ryo; Wei, Rong Jia; Newton, Graham N.; Shiga, Takuya; Oshio, Hiroki","Oxalate-bridged heterometallic chains with monocationic dabco derivatives.","Dalton transactions (Cambridge, England : 2003)","2016","45","41","16182","16189","10.1039/c6dt02955h","","","0.71069","MoKα","","0.0537","0.0394","","","0.0794","0.0854","","","","","","1.005","","","","has coordinates","188163","2020-10-21","18:00:00",""
"7040558","9.039","0.005","13.961","0.007","10.216","0.006","90","","114.888","0.009","90","","1169.5","1.1","130","2","130","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C17 H27 Cr N2 O14 Zn -","- C17 H27 Cr N2 O14 Zn -","- C34 H54 Cr2 N4 O28 Zn2 -","2","1","","Sakurai, Takahiro; Saiki, Ryo; Wei, Rong Jia; Newton, Graham N.; Shiga, Takuya; Oshio, Hiroki","Oxalate-bridged heterometallic chains with monocationic dabco derivatives.","Dalton transactions (Cambridge, England : 2003)","2016","45","41","16182","16189","10.1039/c6dt02955h","","","0.71073","MoKα","","0.0575","0.048","","","0.0884","0.0917","","","","","","0.99","","","","has coordinates","188163","2020-10-21","18:00:00",""
"7040559","20.1846","0.0004","20.1846","0.0004","20.1893","0.0006","90","","90","","120","","7123.5","0.3","298","2","298","2","","","","","","","","6","P 61","P 61","169","","","","- C37 H43 Cl Mn3 N9 O17 -","- C37 H43 Cl Mn3 N9 O17 -","- C222 H258 Cl6 Mn18 N54 O102 -","6","1","","Chen, Zilu; Hu, Zhaobo; Li, Yisheng; Liang, Yuning; Wang, Xinyu; Ouyang, Li; Zhao, Qin; Cheng, Haiyan; Liang, Fupei","Manganese clusters of aromatic oximes: synthesis, structure and magnetic properties.","Dalton transactions (Cambridge, England : 2003)","2016","45","39","15634","15643","10.1039/c6dt03207a","","","0.71073","MoKα","","0.0785","0.051","","","0.1159","0.1306","","","","","","1.011","","","","has coordinates","188134","2020-10-21","18:00:00",""
"7040560","10.8393","0.0015","18.418","0.003","18.329","0.003","90","","92.871","0.002","90","","3654.6","1","153","2","153","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C40 H29 Mn3 N6 O11 -","- C40 H29 Mn3 N6 O11 -","- C160 H116 Mn12 N24 O44 -","4","1","","Chen, Zilu; Hu, Zhaobo; Li, Yisheng; Liang, Yuning; Wang, Xinyu; Ouyang, Li; Zhao, Qin; Cheng, Haiyan; Liang, Fupei","Manganese clusters of aromatic oximes: synthesis, structure and magnetic properties.","Dalton transactions (Cambridge, England : 2003)","2016","45","39","15634","15643","10.1039/c6dt03207a","","","0.71073","MoKα","","0.0467","0.0366","","","0.0912","0.0983","","","","","","1.063","","","","has coordinates","188134","2020-10-21","18:00:00",""
"7040561","17.1115","0.0008","18.8978","0.0006","19.9978","0.0006","67.248","0.003","89.768","0.003","70.924","0.004","5580.2","0.4","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C225 H168 Cl4 Mn12 N40 O51 -","- C225 H168 Cl4 Mn12 N40 O51 -","- C225 H168 Cl4 Mn12 N40 O51 -","1","0.5","","Chen, Zilu; Hu, Zhaobo; Li, Yisheng; Liang, Yuning; Wang, Xinyu; Ouyang, Li; Zhao, Qin; Cheng, Haiyan; Liang, Fupei","Manganese clusters of aromatic oximes: synthesis, structure and magnetic properties.","Dalton transactions (Cambridge, England : 2003)","2016","45","39","15634","15643","10.1039/c6dt03207a","","","0.71073","MoKα","","0.0959","0.0603","","","0.1642","0.1951","","","","","","1.049","","","","has coordinates,has disorder","188134","2020-10-21","18:00:00",""
"7040562","16.5792","0.0019","16.8624","0.0019","23.487","0.003","77.38","0.002","82.47","0.002","76.586","0.002","6210.3","1.3","153","2","153","2","","","","","","","","5","P -1","-P 1","2","","","","- C123 H101 Mn8 N27 O25 -","- C123 H101 Mn8 N27 O25 -","- C246 H202 Mn16 N54 O50 -","2","1","","Chen, Zilu; Hu, Zhaobo; Li, Yisheng; Liang, Yuning; Wang, Xinyu; Ouyang, Li; Zhao, Qin; Cheng, Haiyan; Liang, Fupei","Manganese clusters of aromatic oximes: synthesis, structure and magnetic properties.","Dalton transactions (Cambridge, England : 2003)","2016","45","39","15634","15643","10.1039/c6dt03207a","","","0.71073","MoKα","","0.0847","0.0493","","","0.1352","0.1634","","","","","","1.022","","","","has coordinates","188134","2020-10-21","18:00:00",""
"7040563","31.8857","0.0004","31.8857","0.0004","31.8857","0.0004","90","","90","","90","","32418.1","0.7","185","2","185","2","","","","","","","","5","P a -3","-P 2ac 2ab 3","205","","","","- C177 H129 Mn8 N15 O37 -","- C177 H117 Mn8 N15 O37 -","- C1416 H936 Mn64 N120 O296 -","8","0.333333","","Chen, Zilu; Hu, Zhaobo; Li, Yisheng; Liang, Yuning; Wang, Xinyu; Ouyang, Li; Zhao, Qin; Cheng, Haiyan; Liang, Fupei","Manganese clusters of aromatic oximes: synthesis, structure and magnetic properties.","Dalton transactions (Cambridge, England : 2003)","2016","45","39","15634","15643","10.1039/c6dt03207a","","","0.71073","MoKα","","0.1492","0.0997","","","0.25","0.2995","","","","","","1.153","","","","has coordinates,has disorder","188134","2020-10-21","18:00:00",""
"7040564","17.7336","0.0012","17.9441","0.0005","15.2516","0.0004","90","","110.304","0.007","90","","4551.7","0.4","200","","200","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","(NEt4)2[WO(S2C6H3NHCO-t-Bu)2]-CH3CN","","- C40 H69 N5 O3 S4 W -","- C40 H69 N5 O3 S4 W -","- C160 H276 N20 O12 S16 W4 -","4","1","","Okamura, Taka-Aki; Omi, Yui; Hirano, Yasunori; Onitsuka, Kiyotaka","Comparative studies on the contribution of NHS hydrogen bonds in tungsten and molybdenum benzenedithiolate complexes.","Dalton transactions (Cambridge, England : 2003)","2016","45","39","15651","15659","10.1039/c6dt02250b","","","0.71075","MoKα","","0.0607","0.0491","","","0.1072","0.1118","","","","","","1.097","","","","has coordinates","188135","2020-10-21","18:00:00",""
"7040565","36.772","0.006","16.687","0.002","26.502","0.004","90","","127.642","0.004","90","","12877","3","200","","200","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","(NEt4)2[WO{S2C6H2(NHCO-t-Bu)2]-5/2(CH3CN)","","- C53 H91.5 N8.5 O5 S4 W -","- C53 H91.5 N8.5 O5 S4 W -","- C424 H732 N68 O40 S32 W8 -","8","1","","Okamura, Taka-Aki; Omi, Yui; Hirano, Yasunori; Onitsuka, Kiyotaka","Comparative studies on the contribution of NHS hydrogen bonds in tungsten and molybdenum benzenedithiolate complexes.","Dalton transactions (Cambridge, England : 2003)","2016","45","39","15651","15659","10.1039/c6dt02250b","","","0.71075","MoKα","","0.0763","0.052","","","0.1235","0.1374","","","","","","1.031","","","","has coordinates,has disorder","188135","2020-10-21","18:00:00",""
"7040566","36.769","0.006","16.624","0.003","26.525","0.004","90","","127.696","0.005","90","","12829","4","200","","200","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","(NEt4)2[MoO{S2C6H2(NHCO-t-Bu)2}2]-5/2(CH3CN)","","- C53 H91.5 Mo N8.5 O5 S4 -","- C53 H91.5 Mo N8.5 O5 S4 -","- C424 H732 Mo8 N68 O40 S32 -","8","1","","Okamura, Taka-Aki; Omi, Yui; Hirano, Yasunori; Onitsuka, Kiyotaka","Comparative studies on the contribution of NHS hydrogen bonds in tungsten and molybdenum benzenedithiolate complexes.","Dalton transactions (Cambridge, England : 2003)","2016","45","39","15651","15659","10.1039/c6dt02250b","","","0.71075","MoKα","","0.087","0.0599","","","0.1567","0.1743","","","","","","1.037","","","","has coordinates,has disorder","188135","2020-10-21","18:00:00",""
"7040567","11.4233","0.0004","28.3088","0.0011","18.3378","0.0013","90","","95.752","0.007","90","","5900.2","0.5","200","","200","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","(NEt4)2[W(S2C6H3NHCO-t-Bu)3]-CH3CN","","- C51 H82 N6 O3 S6 W -","- C51 H82 N6 O3 S6 W -","- C204 H328 N24 O12 S24 W4 -","4","1","","Okamura, Taka-Aki; Omi, Yui; Hirano, Yasunori; Onitsuka, Kiyotaka","Comparative studies on the contribution of NHS hydrogen bonds in tungsten and molybdenum benzenedithiolate complexes.","Dalton transactions (Cambridge, England : 2003)","2016","45","39","15651","15659","10.1039/c6dt02250b","","","0.71075","MoKα","","0.0779","0.0584","","","0.1323","0.1401","","","","","","1.116","","","","has coordinates,has disorder","188135","2020-10-21","18:00:00",""
"7040568","11.4177","0.0004","11.4177","0.0004","22.4321","0.0011","90","","90","","90","","2924.3","0.2","120","2","120","2","","","","","","","","5","P 41","P 4w","76","","","","- C25 H33 Dy N8 O12 -","- C25 H33 Dy N8 O12 -","- C100 H132 Dy4 N32 O48 -","4","1","","Antal, Peter; Drahoš, Bohuslav; Herchel, Radovan; Trávníček, Zdeněk","Muffin-like lanthanide complexes with an N5O2-donor macrocyclic ligand showing field-induced single-molecule magnet behaviour.","Dalton transactions (Cambridge, England : 2003)","2016","45","38","15114","15121","10.1039/c6dt02537d","","","0.71073","MoKα","","0.0161","0.0151","","","0.0361","0.0365","","","","","","1.126","","","","has coordinates","188121","2020-10-21","18:00:00",""
"7040569","11.4208","0.0004","11.4208","0.0004","22.4435","0.0011","90","","90","","90","","2927.4","0.2","120","2","120","2","","","","","","","","5","P 41","P 4w","76","","","","- C25 H33 N8 O12 Tb -","- C25 H33 N8 O12 Tb -","- C100 H132 N32 O48 Tb4 -","4","1","","Antal, Peter; Drahoš, Bohuslav; Herchel, Radovan; Trávníček, Zdeněk","Muffin-like lanthanide complexes with an N5O2-donor macrocyclic ligand showing field-induced single-molecule magnet behaviour.","Dalton transactions (Cambridge, England : 2003)","2016","45","38","15114","15121","10.1039/c6dt02537d","","","0.71073","MoKα","","0.0138","0.0127","","","0.0311","0.0315","","","","","","1.11","","","","has coordinates","188121","2020-10-21","18:00:00",""
"7040570","10.8614","0.0006","17.1071","0.0008","18.6668","0.0009","76.277","0.003","85.698","0.003","77.922","0.003","3293.7","0.3","123","","123","","","","","","","","Fabian Brunner","8","P -1","-P 1","2","","","","- C67 H61 Br2 Cu F6 N2 O2.5 P3 -","- C67 H61 Br2 Cu F6 N2 O2.5 P3 -","- C134 H122 Br4 Cu2 F12 N4 O5 P6 -","2","1","","Brunner, Fabian; Martínez-Sarti, Laura; Keller, Sarah; Pertegás, Antonio; Prescimone, Alessandro; Constable, Edwin C.; Bolink, Henk J.; Housecroft, Catherine E.","Peripheral halo-functionalization in [Cu(N^N)(P^P)](+) emitters: influence on the performances of light-emitting electrochemical cells.","Dalton transactions (Cambridge, England : 2003)","2016","45","38","15180","15192","10.1039/c6dt02665f","","","1.54178","CuKα","","0.1727","0.1035","","0.3243","0.2563","0.3243","","","","","","0.969","","","","has coordinates,has disorder","188123","2020-10-21","18:00:00",""
"7040571","10.8361","0.0006","16.869","0.001","19.1696","0.0011","74.934","0.002","88.594","0.002","79.074","0.002","3321.2","0.3","123","","123","","","","","","","","Fabian Brunner","8","P -1","-P 1","2","","","","- C71 H70 Cu F6 I2 N2 O3 P3 -","- C71 H70 Cu F6 I2 N2 O3 P3 -","- C142 H140 Cu2 F12 I4 N4 O6 P6 -","2","1","","Brunner, Fabian; Martínez-Sarti, Laura; Keller, Sarah; Pertegás, Antonio; Prescimone, Alessandro; Constable, Edwin C.; Bolink, Henk J.; Housecroft, Catherine E.","Peripheral halo-functionalization in [Cu(N^N)(P^P)](+) emitters: influence on the performances of light-emitting electrochemical cells.","Dalton transactions (Cambridge, England : 2003)","2016","45","38","15180","15192","10.1039/c6dt02665f","","","1.54178","CuKα","","0.0466","0.0455","","0.0949","0.0948","0.0949","","","","","","0.8865","","","","has coordinates","188123","2020-10-21","18:00:00",""
"7040572","11.8717","0.0007","14.5153","0.0011","17.3347","0.0011","76.797","0.005","84.595","0.004","88.547","0.004","2895.2","0.3","123","","123","","","","","","","","Fabian Brunner","7","P -1","-P 1","2","","","","- C60 H48.6 Cu F8 N2 O1.8 P3 -","- C60 H48.6 Cu F8 N2 O1.8 P3 -","- C120 H97.2 Cu2 F16 N4 O3.6 P6 -","2","1","","Brunner, Fabian; Martínez-Sarti, Laura; Keller, Sarah; Pertegás, Antonio; Prescimone, Alessandro; Constable, Edwin C.; Bolink, Henk J.; Housecroft, Catherine E.","Peripheral halo-functionalization in [Cu(N^N)(P^P)](+) emitters: influence on the performances of light-emitting electrochemical cells.","Dalton transactions (Cambridge, England : 2003)","2016","45","38","15180","15192","10.1039/c6dt02665f","","","1.54178","CuKα","","0.1526","0.1078","","0.3329","0.2856","0.3326","","","","","","1.0746","","","","has coordinates,has disorder","188123","2020-10-21","18:00:00",""
"7040573","14.3066","0.0014","16.4396","0.0016","25.643","0.003","90","","101.19","0.003","90","","5916.4","1.1","123","","123","","","","","","","","Fabian Brunner","7","P 1 21/c 1","-P 2ybc","14","","","","- C67 H60 Cu F8 N2 O2 P3 -","- C67 H60 Cu F8 N2 O2 P3 -","- C268 H240 Cu4 F32 N8 O8 P12 -","4","1","","Brunner, Fabian; Martínez-Sarti, Laura; Keller, Sarah; Pertegás, Antonio; Prescimone, Alessandro; Constable, Edwin C.; Bolink, Henk J.; Housecroft, Catherine E.","Peripheral halo-functionalization in [Cu(N^N)(P^P)](+) emitters: influence on the performances of light-emitting electrochemical cells.","Dalton transactions (Cambridge, England : 2003)","2016","45","38","15180","15192","10.1039/c6dt02665f","","","1.54178","CuKα","","0.0644","0.0573","","0.1149","0.1114","0.1149","","","","","","0.7666","","","","has coordinates","188123","2020-10-21","18:00:00",""
"7040574","24.1972","0.0018","16.3688","0.0012","23.0149","0.0019","90","","108.421","0.004","90","","8648.6","1.2","123","","123","","","","","","","","Fabian Brunner","6","C 1 2/c 1","-C 2yc","15","","","","- C48 H36 Cu F10 N4 P -","- C48 H36 Cu F10 N4 P -","- C384 H288 Cu8 F80 N32 P8 -","8","1","","Brunner, Fabian; Martínez-Sarti, Laura; Keller, Sarah; Pertegás, Antonio; Prescimone, Alessandro; Constable, Edwin C.; Bolink, Henk J.; Housecroft, Catherine E.","Peripheral halo-functionalization in [Cu(N^N)(P^P)](+) emitters: influence on the performances of light-emitting electrochemical cells.","Dalton transactions (Cambridge, England : 2003)","2016","45","38","15180","15192","10.1039/c6dt02665f","","","1.54178","CuKα","","0.0791","0.0594","","0.1398","0.1303","0.1398","","","","","","1.0319","","","","has coordinates","188123","2020-10-21","18:00:00",""
"7040575","10.9508","0.0005","10.9508","0.0005","76.094","0.003","90","","90","","120","","7902.6","0.6","123","","123","","","","","","","","Fabian Brunner","7","P 61","P 61","169","","","","- C63 H52 Cu F6 N2 O P3 -","- C63 H52 Cu F6 N2 O P3 -","- C378 H312 Cu6 F36 N12 O6 P18 -","6","1","","Brunner, Fabian; Martínez-Sarti, Laura; Keller, Sarah; Pertegás, Antonio; Prescimone, Alessandro; Constable, Edwin C.; Bolink, Henk J.; Housecroft, Catherine E.","Peripheral halo-functionalization in [Cu(N^N)(P^P)](+) emitters: influence on the performances of light-emitting electrochemical cells.","Dalton transactions (Cambridge, England : 2003)","2016","45","38","15180","15192","10.1039/c6dt02665f","","","1.54178","CuKα","","0.033","0.0311","","0.0679","0.0674","0.0679","","","","","","0.9999","","","","has coordinates","188123","2020-10-21","18:00:00",""
"7040576","22.958","0.005","11.988","0.002","18.415","0.004","90","","99.5","0.03","90","","4998.7","1.8","200","","200","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C57 H63 Cl2 Mn N2 O3 -","- C57 H63 Cl2 Mn N2 O3 -","- C228 H252 Cl8 Mn4 N8 O12 -","4","1","","Lecarme, Laureline; Chiang, Linus; Moutet, Jules; Leconte, Nicolas; Philouze, Christian; Jarjayes, Olivier; Storr, Tim; Thomas, Fabrice","The structure of a one-electron oxidized Mn(iii)-bis(phenolate)dipyrrin radical complex and oxidation catalysis control via ligand-centered redox activity.","Dalton transactions (Cambridge, England : 2003)","2016","45","41","16325","16334","10.1039/c6dt02163h","","x-ray","0.71073","MoKα","","0.0989","0.0717","","","0.1838","0.2042","","","","","","1.055","","","","has coordinates,has disorder","188167","2020-10-21","18:00:00",""
"7040577","11.451","0.002","11.555","0.002","20.572","0.004","90","","90","","90","","2722","0.9","200","","200","","","","","","","","","8","P 21 21 2","P 2 2ab","18","","","","- C55.47 H61.93 Cl0.93 F6 Mn N2 O4 Sb -","- C55.43 H61.86 Cl0.86 F6 Mn N2 O4 Sb -","- C110.86 H123.72 Cl1.72 F12 Mn2 N4 O8 Sb2 -","2","0.5","","Lecarme, Laureline; Chiang, Linus; Moutet, Jules; Leconte, Nicolas; Philouze, Christian; Jarjayes, Olivier; Storr, Tim; Thomas, Fabrice","The structure of a one-electron oxidized Mn(iii)-bis(phenolate)dipyrrin radical complex and oxidation catalysis control via ligand-centered redox activity.","Dalton transactions (Cambridge, England : 2003)","2016","45","41","16325","16334","10.1039/c6dt02163h","","x-ray","0.71073","MoKα","","0.0901","0.0853","","","0.212","0.2148","","","","","","1.221","","","","has coordinates,has disorder","188167","2020-10-21","18:00:00",""
"7040578","11.249","0.002","11.476","0.002","28.3","0.005","90","","90","","90","","3653.3","1.1","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C16 H38 Cl8 N6 O9 W3 -","- C16 H38 Cl8 N6 O9 W3 -","- C64 H152 Cl32 N24 O36 W12 -","4","1","","Bortoluzzi, Marco; Evangelisti, Claudio; Marchetti, Fabio; Pampaloni, Guido; Piccinelli, Fabio; Zacchini, Stefano","Synthesis of a highly reactive form of WO2Cl2, its conversion into nanocrystalline mono-hydrated WO3 and coordination compounds with tetramethylurea.","Dalton transactions (Cambridge, England : 2003)","2016","45","39","15342","","10.1039/c6dt02997c","","","0.71073","MoKα","","0.0406","0.0357","","","0.0707","0.0726","","","","","","1.048","","","","has coordinates","187103","2020-10-21","18:00:00",""
"7040579","14.211","0.003","22.418","0.005","18.094","0.004","90","","113.063","0.003","90","","5304","2","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C10 H24 Cl2 N4 O4 W -","- C10 H24 Cl2 N4 O4 W -","- C120 H288 Cl24 N48 O48 W12 -","12","3","","Bortoluzzi, Marco; Evangelisti, Claudio; Marchetti, Fabio; Pampaloni, Guido; Piccinelli, Fabio; Zacchini, Stefano","Synthesis of a highly reactive form of WO2Cl2, its conversion into nanocrystalline mono-hydrated WO3 and coordination compounds with tetramethylurea.","Dalton transactions (Cambridge, England : 2003)","2016","45","39","15342","","10.1039/c6dt02997c","","","0.71073","MoKα","","0.0646","0.0544","","","0.1461","0.1576","","","","","","1.053","","","","has coordinates","187103","2020-10-21","18:00:00",""
"7040580","11.5768","0.0002","11.4916","0.0003","24.5672","0.0005","90","","96.776","0.002","90","","3245.49","0.12","298","","298","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C32 H72 I14 N2 W6 -","- C32 H72 I14 N2 W6 -","- C64 H144 I28 N4 W12 -","2","0.5","","Riehl, Lara; Seyboldt, Alexander; Ströbele, Markus; Enseling, David; Jüstel, Thomas; Westberg, Michael; Ogilby, Peter R.; Meyer, H-Jürgen","A ligand substituted tungsten iodide cluster: luminescence vs. singlet oxygen production.","Dalton transactions (Cambridge, England : 2003)","2016","45","39","15500","15506","10.1039/c6dt02471h","powder diffraction","","1.5406","CuKalpha1","","","","","","","","","6.187","1.02","","","","","","","has coordinates","210357","2020-10-21","18:00:00",""
"7040581","13.0862","0.0004","13.2146","0.0004","13.3544","0.0004","114.963","0.002","102.91","0.003","102.138","0.003","1915.67","0.13","243","2","243","2","","","","","","","","7","P -1","-P 1","2","(TBA)2[W6I8(CF3COO)6]","","","- C44 H72 F18 I8 N2 O12 W6 -","- C44 H72 F18 I8 N2 O12 W6 -","- C44 H72 F18 I8 N2 O12 W6 -","1","0.5","","Riehl, Lara; Seyboldt, Alexander; Ströbele, Markus; Enseling, David; Jüstel, Thomas; Westberg, Michael; Ogilby, Peter R.; Meyer, H-Jürgen","A ligand substituted tungsten iodide cluster: luminescence vs. singlet oxygen production.","Dalton transactions (Cambridge, England : 2003)","2016","45","39","15500","15506","10.1039/c6dt02471h","","","0.71073","MoKα","","0.0398","0.0348","","","0.0763","0.0786","","","","","","1.186","","","","has coordinates","188141","2020-10-21","18:00:00",""
"7040582","13.4626","0.0004","12.0213","0.0003","17.5823","0.0007","90","","111.494","0.0012","90","","2647.59","0.15","293","","293","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H30 Cl2 Cu N8 -","- C24 H30 Cl2 Cu N8 -","- C96 H120 Cl8 Cu4 N32 -","4","1","","Kongkaew, Manisa; Sitthisuwannakul, Kannika; Nakarajouyphon, Vasut; Pornsuwan, Soraya; Kongsaeree, Palangpon; Sangtrirutnugul, Preeyanuch","Benzimidazole-triazole ligands with pendent triazole functionality: unexpected formation and effects on copper-catalyzed aerobic alcohol oxidation.","Dalton transactions (Cambridge, England : 2003)","2016","45","42","16810","16819","10.1039/c6dt02770a","","","0.71073","MoKα","","0.0917","0.0643","","","0.1597","0.1773","","","","","","1.022","","","","has coordinates","188232","2020-10-21","18:00:00",""
"7040583","8.9699","0.0002","13.5062","0.0004","14.1297","0.0004","100.701","0.001","103.079","0.0011","105.853","0.0009","1547.01","0.07","293","","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C22 H33 Cl2 Cu N9 Si2 -","- C22 H33 Cl2 Cu N9 Si2 -","- C44 H66 Cl4 Cu2 N18 Si4 -","2","1","","Kongkaew, Manisa; Sitthisuwannakul, Kannika; Nakarajouyphon, Vasut; Pornsuwan, Soraya; Kongsaeree, Palangpon; Sangtrirutnugul, Preeyanuch","Benzimidazole-triazole ligands with pendent triazole functionality: unexpected formation and effects on copper-catalyzed aerobic alcohol oxidation.","Dalton transactions (Cambridge, England : 2003)","2016","45","42","16810","16819","10.1039/c6dt02770a","","","0.71073","MoKα","","0.0835","0.0768","","","0.2229","0.2308","","","","","","1.053","","","","has coordinates,has disorder","188232","2020-10-21","18:00:00",""
"7040584","10.7278","0.0003","14.7418","0.0003","13.2364","0.0003","90","","107.779","0.002","90","","1993.32","0.09","150","2","150","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C14 H26 Mo5 N6 O28 P2 Rb4 -","- C14 Mo5 N6 O28 P2 Rb4 -","- C28 Mo10 N12 O56 P4 Rb8 -","2","1","","Schönweiz, S; Knoll, S.; Anjass, M.; Braumüller, M; Rau, S.; Streb, C.","""CLICKable"" azide-functionalized phosphonates for the surface-modification of molecular and solid-state metal oxides.","Dalton transactions (Cambridge, England : 2003)","2016","45","41","16121","16124","10.1039/c6dt03370a","","x-ray","0.71073","MoKα","","0.0513","0.0465","","","0.1147","0.1188","","","","","","1.038","","","","has coordinates,has disorder","188152","2020-10-21","18:00:00",""
"7040585","41.0006","0.0008","31.9188","0.0004","45.9429","0.0009","90","","113.674","0.001","90","","55065.2","1.7","150.15","","150.15","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C522 H700 Cu52 P8 S40 -","- C522 H700 Cu52 P8 S40 -","- C2088 H2800 Cu208 P32 S160 -","4","0.5","","Bestgen, Sebastian; Fuhr, Olaf; Roesky, Peter W.; Fenske, Dieter","Synthesis and molecular structure of a spheroidal binary nanoscale copper sulfide cluster.","Dalton transactions (Cambridge, England : 2003)","2016","45","38","14907","14910","10.1039/c6dt03311c","","x-ray","1.54186","CuKα","","0.0999","0.0513","","","0.1128","0.1263","","","","","","0.804","","","","has coordinates,has disorder","188114","2020-10-21","18:00:00",""
"7040586","10.8479","0.0004","14.6207","0.0005","15.9745","0.0005","70.078","0.002","76.389","0.002","68.533","0.002","2198.96","0.14","200","2","200","2","","","","","","","","5","P -1","-P 1","2","Cu(II) Complex of 2-Formyl-meso-tetrakis(3,5-ditertbutyl-4-hydroxyphenyl)porphyrin","2-Formyl-meso-tetrakis(3,5-ditertbutyl-4-hydroxyphenyl)porphyrinatocopper(II)","","- C83 H105 Cu N4 O5 -","- C77 H91 Cu N4 O5 -","- C77 H91 Cu N4 O5 -","1","0.5","","Chahal, Mandeep K.; Sankar, Muniappan","Switching between porphyrin, porphodimethene and porphyrinogen using cyanide and fluoride ions mimicking volatile molecular memory and the 'NOR' logic gate.","Dalton transactions (Cambridge, England : 2003)","2016","45","41","16404","16412","10.1039/c6dt02506d","","","0.71073","MoKα","","0.1049","0.0568","","","0.1609","0.184","","","","","","1.016","","","","has coordinates","211413","2020-10-21","18:00:00",""
"7040587","14.342","0.003","6.5757","0.0012","8.4715","0.0016","90","","121.21","0.03","90","","683.3","0.3","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C2 H2 N8 O3 Pb -","- C2 H2 N8 O3 Pb -","- C8 H8 N32 O12 Pb4 -","4","0.5","","Shang, Yu; Jin, Bo; Peng, Rufang; Liu, Qiangqiang; Tan, Bisheng; Guo, Zhicheng; Zhao, Jun; Zhang, Qingchun","A novel 3D energetic MOF of high energy content: synthesis and superior explosive performance of a Pb(ii) compound with 5,5'-bistetrazole-1,1'-diolate.","Dalton transactions (Cambridge, England : 2003)","2016","45","35","13881","13887","10.1039/c6dt02558g","","","0.71073","MoKα","","0.0553","0.0553","","","0.1257","0.1257","","","","","","1.055","","","","has coordinates","186300","2020-10-21","18:00:00",""
"7040588","27.7653","0.0007","27.7653","0.0007","44.8044","0.0017","90","","90","","120","","29912.7","1.6","123","2","123","2","","","","","","","","6","P -3 1 c","-P 3 2c","163","","","","- C449 H366 Fe27 N73 O147 S18 -","- C449 H366.001 Fe27 N73 O147 S18 -","- C898 H732.001 Fe54 N146 O294 S36 -","2","0.166667","","Das, Biswanath; Lee, Bao-Lin; Karlsson, Erik A.; Åkermark, Torbjörn; Shatskiy, Andrey; Demeshko, Serhiy; Liao, Rong-Zhen; Laine, Tanja M.; Haukka, Matti; Zeglio, Erica; Abdel-Magied, Ahmed F; Siegbahn, Per E. M.; Meyer, Franc; Kärkäs, Markus D; Johnston, Eric V.; Nordlander, Ebbe; Åkermark, Björn","Water oxidation catalyzed by molecular di- and nonanuclear Fe complexes: importance of a proper ligand framework.","Dalton transactions (Cambridge, England : 2003)","2016","45","34","13289","13293","10.1039/c6dt01554a","","","1.54184","CuKα","","0.1546","0.0955","","","0.2665","0.3177","","","","","","0.97","","","","has coordinates,has disorder","186301","2020-10-21","18:00:00",""
"7040589","14.0661","0.0019","17.902","0.002","28.165","0.004","90","","90","","90","","7092.3","1.6","100","2","296.15","","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C35 H48 Cl2 N2 O P Ru -","- C35 H48 Cl2 N2 O P Ru -","- C280 H384 Cl16 N16 O8 P8 Ru8 -","8","1","","Amenuvor, Gershon; Obuah, Collins; Nordlander, Ebbe; Darkwa, James","Novel pyrazolylphosphite- and pyrazolylphosphinite-ruthenium(ii) complexes as catalysts for hydrogenation of acetophenone.","Dalton transactions (Cambridge, England : 2003)","2016","45","34","13514","13524","10.1039/c6dt02164f","","","0.71073","MoKα","","0.2365","0.0748","","","0.1332","0.1887","","","","","","0.954","","","","has coordinates","186302","2020-10-21","18:00:00",""
"7040590","7.2138","0.0007","9.8265","0.0011","19.515","0.002","75.471","0.003","89.027","0.004","69.116","0.003","1247.1","0.2","296","2","296.15","","","","","","","","","7","P -1","-P 1","2","","","","- C21 H35 Cl2 N2 O3 P Ru -","- C21 H35 Cl2 N2 O3 P Ru -","- C42 H70 Cl4 N4 O6 P2 Ru2 -","2","1","","Amenuvor, Gershon; Obuah, Collins; Nordlander, Ebbe; Darkwa, James","Novel pyrazolylphosphite- and pyrazolylphosphinite-ruthenium(ii) complexes as catalysts for hydrogenation of acetophenone.","Dalton transactions (Cambridge, England : 2003)","2016","45","34","13514","13524","10.1039/c6dt02164f","","","0.71073","MoKα","","0.0737","0.0416","","","0.0634","0.0782","","","","","","1.02","","","","has coordinates","186302","2020-10-21","18:00:00",""
"7040591","18.1458","0.0018","8.9406","0.0007","18.8209","0.0017","90","","95.697","0.002","90","","3038.3","0.5","296","2","296.15","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C31 H39 Cl2 N2 O3 P Ru -","- C31 H39 Cl2 N2 O3 P Ru -","- C124 H156 Cl8 N8 O12 P4 Ru4 -","4","1","","Amenuvor, Gershon; Obuah, Collins; Nordlander, Ebbe; Darkwa, James","Novel pyrazolylphosphite- and pyrazolylphosphinite-ruthenium(ii) complexes as catalysts for hydrogenation of acetophenone.","Dalton transactions (Cambridge, England : 2003)","2016","45","34","13514","13524","10.1039/c6dt02164f","","","0.71073","MoKα","","0.091","0.0463","","","0.0924","0.1162","","","","","","0.991","","","","has coordinates","186302","2020-10-21","18:00:00",""
"7040592","17.682","0.002","10.3987","0.0013","21.897","0.003","90","","105.99","0.002","90","","3870.4","0.8","293","2","293","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C39 H39 Cl2 N2 O P Ru -","- C39 H39 Cl2 N2 O P Ru -","- C156 H156 Cl8 N8 O4 P4 Ru4 -","4","1","","Amenuvor, Gershon; Obuah, Collins; Nordlander, Ebbe; Darkwa, James","Novel pyrazolylphosphite- and pyrazolylphosphinite-ruthenium(ii) complexes as catalysts for hydrogenation of acetophenone.","Dalton transactions (Cambridge, England : 2003)","2016","45","34","13514","13524","10.1039/c6dt02164f","","","0.71073","MoKα","","0.1686","0.084","","","0.2139","0.2588","","","","","","1.06","","","","has coordinates","186302","2020-10-21","18:00:00",""
"7040593","24.4494","0.0007","12.994","0.0003","7.2684","0.0001","90","","90.813","0.002","90","","2308.91","0.09","130","2","130","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C24 H28 Cl2 N2 O2 Ru -","- C24 H28 Cl2 N2 O2 Ru -","- C96 H112 Cl8 N8 O8 Ru4 -","4","1","","Richter, Stefan; Singh, Sushma; Draca, Dijana; Kate, Anup; Kumbhar, Anupa; Kumbhar, Avinash S.; Maksimovic-Ivanic, Danijela; Mijatovic, Sanja; Lönnecke, Peter; Hey-Hawkins, Evamarie","Antiproliferative activity of ruthenium(ii) arene complexes with mono- and bidentate pyridine-based ligands.","Dalton transactions (Cambridge, England : 2003)","2016","45","33","13114","13125","10.1039/c6dt01782g","","","0.71073","MoKα","","0.0746","0.0529","","","0.1133","0.123","","","","","","1.059","","","","has coordinates,has disorder","186303","2020-10-21","18:00:00",""
"7040594","10.6312","0.0004","11.2465","0.0004","13.7626","0.0004","89.789","0.003","78.641","0.003","71.348","0.003","1525.43","0.1","130","2","130","2","","","","","","","","6","P -1","-P 1","2","","","","- C24 H26 Cl8 N2 O2 Ru -","- C24 H26 Cl8 N2 O2 Ru -","- C48 H52 Cl16 N4 O4 Ru2 -","2","1","","Richter, Stefan; Singh, Sushma; Draca, Dijana; Kate, Anup; Kumbhar, Anupa; Kumbhar, Avinash S.; Maksimovic-Ivanic, Danijela; Mijatovic, Sanja; Lönnecke, Peter; Hey-Hawkins, Evamarie","Antiproliferative activity of ruthenium(ii) arene complexes with mono- and bidentate pyridine-based ligands.","Dalton transactions (Cambridge, England : 2003)","2016","45","33","13114","13125","10.1039/c6dt01782g","","","0.71073","MoKα","","0.0617","0.0431","","","0.0848","0.0914","","","","","","1.036","","","","has coordinates,has disorder","186303","2020-10-21","18:00:00",""
"7040595","14.4104","0.0002","17.1226","0.0002","9.1952","0.0001","90","","90","","90","","2268.86","0.05","130","2","130","2","","","","","","","","8","P n a 21","P 2c -2n","33","","","","- C19 H26 Cl F6 N2 O2 P Ru -","- C19 H26 Cl F6 N2 O2 P Ru -","- C76 H104 Cl4 F24 N8 O8 P4 Ru4 -","4","1","","Richter, Stefan; Singh, Sushma; Draca, Dijana; Kate, Anup; Kumbhar, Anupa; Kumbhar, Avinash S.; Maksimovic-Ivanic, Danijela; Mijatovic, Sanja; Lönnecke, Peter; Hey-Hawkins, Evamarie","Antiproliferative activity of ruthenium(ii) arene complexes with mono- and bidentate pyridine-based ligands.","Dalton transactions (Cambridge, England : 2003)","2016","45","33","13114","13125","10.1039/c6dt01782g","","x-ray","0.71073","MoKα","","0.0351","0.0309","","","0.0668","0.0689","","","","","","1.043","","","","has coordinates,has disorder","186303","2020-10-21","18:00:00",""
"7040596","18.2738","0.0003","18.0087","0.0003","24.4357","0.0004","90","","102.83","0.001","90","","7840.7","0.2","130","2","130","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C67 H84 Cl5 F18 N4 O5 P3 Ru4 -","- C67 H84 Cl5 F18 N4 O5 P3 Ru4 -","- C268 H336 Cl20 F72 N16 O20 P12 Ru16 -","4","1","","Richter, Stefan; Singh, Sushma; Draca, Dijana; Kate, Anup; Kumbhar, Anupa; Kumbhar, Avinash S.; Maksimovic-Ivanic, Danijela; Mijatovic, Sanja; Lönnecke, Peter; Hey-Hawkins, Evamarie","Antiproliferative activity of ruthenium(ii) arene complexes with mono- and bidentate pyridine-based ligands.","Dalton transactions (Cambridge, England : 2003)","2016","45","33","13114","13125","10.1039/c6dt01782g","","x-ray","0.71073","MoKα","","0.105","0.0573","","","0.1281","0.1511","","","","","","1.03","","","","has coordinates,has disorder","186303","2020-10-21","18:00:00",""
"7040597","11.0744","0.0002","13.2912","0.0002","18.5618","0.0003","90","","95.464","0.001","90","","2719.74","0.08","130","2","130","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C24 H28 Cl F6 N2 O3 P Ru -","- C24 H28 Cl F6 N2 O3 P Ru -","- C96 H112 Cl4 F24 N8 O12 P4 Ru4 -","4","1","","Richter, Stefan; Singh, Sushma; Draca, Dijana; Kate, Anup; Kumbhar, Anupa; Kumbhar, Avinash S.; Maksimovic-Ivanic, Danijela; Mijatovic, Sanja; Lönnecke, Peter; Hey-Hawkins, Evamarie","Antiproliferative activity of ruthenium(ii) arene complexes with mono- and bidentate pyridine-based ligands.","Dalton transactions (Cambridge, England : 2003)","2016","45","33","13114","13125","10.1039/c6dt01782g","","x-ray","0.71073","MoKα","","0.041","0.0307","","","0.0673","0.0724","","","","","","1.038","","","","has coordinates,has disorder","186303","2020-10-21","18:00:00",""
"7040598","8.5691","0.0005","22.4491","0.0013","16.537","0.0011","90","","104.962","0.002","90","","3073.3","0.3","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C34 H22 Cl2 N8 O4 Ru -","- C34 H22 Cl2 N8 O4 Ru -","- C136 H88 Cl8 N32 O16 Ru4 -","4","1","","Huang, Huaiyi; Zhang, Pingyu; Chen, Yu; Qiu, Kangqiang; Jin, Chengzhi; Ji, Liangnian; Chao, Hui","Synthesis, characterization and biological evaluation of labile intercalative ruthenium(ii) complexes for anticancer drug screening.","Dalton transactions (Cambridge, England : 2003)","2016","45","33","13135","13145","10.1039/c6dt01270a","","","0.71073","MoKα","","0.0837","0.0458","","","0.0952","0.121","","","","","","1.031","","","","has coordinates","186304","2020-10-21","18:00:00",""
"7040599","16.8738","0.0012","16.8738","0.0012","6.7163","0.0005","90","","90","","120","","1656.1","0.2","120","2","120","2","","","","","","","","5","R 3 m :H","R 3 -2""","160","","","","- C10 H33 Cl3 Mo3 O10 -","- C10 H33 Cl3 Mo3 O10 -","- C30 H99 Cl9 Mo9 O30 -","3","0.166667","","Kuznetsov, Denis A.; Bazhenova, Tamara A.; Fedyanin, Ivan V.; Martynenko, Vyacheslav M.; Shestakov, Alexander F.; Petrova, Galina N.; Komarova, Natal'ya S.","Tri-, tetra-, and hexanuclear mixed-valence molybdenum clusters: structural diversity and catalysis of acetylene hydrogenation.","Dalton transactions (Cambridge, England : 2003)","2016","45","41","16309","16316","10.1039/c6dt02965e","","","0.71073","MoKα","","0.0209","0.0183","","","0.0351","0.0361","","","","","","0.991","","","","has coordinates,has disorder","192782","2020-10-21","18:00:00",""
"7040600","8.7762","0.0003","8.8015","0.0003","9.9874","0.0004","68.8208","0.0018","89.0869","0.0019","72.587","0.002","682.7","0.04","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C12 H38 Cl4 Mo4 O12 -","- C12 H38 Cl4 Mo4 O12 -","- C12 H38 Cl4 Mo4 O12 -","1","0.5","","Kuznetsov, Denis A.; Bazhenova, Tamara A.; Fedyanin, Ivan V.; Martynenko, Vyacheslav M.; Shestakov, Alexander F.; Petrova, Galina N.; Komarova, Natal'ya S.","Tri-, tetra-, and hexanuclear mixed-valence molybdenum clusters: structural diversity and catalysis of acetylene hydrogenation.","Dalton transactions (Cambridge, England : 2003)","2016","45","41","16309","16316","10.1039/c6dt02965e","","","1.54178","CuKα","","0.042","0.0392","","","0.0966","0.0979","","","","","","1.023","","","","has coordinates","192782","2020-10-21","18:00:00",""
"7040601","7.1547","0.0003","19.216","0.0006","10.1221","0.0004","90","","104.388","0.002","90","","1347.99","0.09","120","2","120","2","","","","","","","","5","P 1 n 1","P -2yac","7","","","","- C12 H39 Cl3 Mo4 O13 -","- C12 H39 Cl3 Mo4 O13 -","- C24 H78 Cl6 Mo8 O26 -","2","1","","Kuznetsov, Denis A.; Bazhenova, Tamara A.; Fedyanin, Ivan V.; Martynenko, Vyacheslav M.; Shestakov, Alexander F.; Petrova, Galina N.; Komarova, Natal'ya S.","Tri-, tetra-, and hexanuclear mixed-valence molybdenum clusters: structural diversity and catalysis of acetylene hydrogenation.","Dalton transactions (Cambridge, England : 2003)","2016","45","41","16309","16316","10.1039/c6dt02965e","","","1.54178","CuKα","","0.0402","0.0353","","","0.084","0.0864","","","","","","1.075","","","","has coordinates","192782","2020-10-21","18:00:00",""
"7040602","9.6392","0.0004","10.3534","0.0004","14.8342","0.0007","90","","105.179","0.002","90","","1428.78","0.11","120","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C14 H44 Cl2 Mo4 O14 -","- C14 H44 Cl2 Mo4 O14 -","- C28 H88 Cl4 Mo8 O28 -","2","0.5","","Kuznetsov, Denis A.; Bazhenova, Tamara A.; Fedyanin, Ivan V.; Martynenko, Vyacheslav M.; Shestakov, Alexander F.; Petrova, Galina N.; Komarova, Natal'ya S.","Tri-, tetra-, and hexanuclear mixed-valence molybdenum clusters: structural diversity and catalysis of acetylene hydrogenation.","Dalton transactions (Cambridge, England : 2003)","2016","45","41","16309","16316","10.1039/c6dt02965e","","","1.54178","CuKα","","0.0954","0.0759","","","0.1883","0.2056","","","","","","1.066","","","","has coordinates","192782","2020-10-21","18:00:00",""
"7040603","12.0042","0.0006","9.5495","0.0005","14.9585","0.0008","90","","103.006","0.001","90","","1670.76","0.15","120","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C12 H38 Cl4 Mo6 O18 -","- C12 H38 Cl4 Mo6 O18 -","- C24 H76 Cl8 Mo12 O36 -","2","0.5","","Kuznetsov, Denis A.; Bazhenova, Tamara A.; Fedyanin, Ivan V.; Martynenko, Vyacheslav M.; Shestakov, Alexander F.; Petrova, Galina N.; Komarova, Natal'ya S.","Tri-, tetra-, and hexanuclear mixed-valence molybdenum clusters: structural diversity and catalysis of acetylene hydrogenation.","Dalton transactions (Cambridge, England : 2003)","2016","45","41","16309","16316","10.1039/c6dt02965e","","","0.71073","MoKα","","0.0317","0.0263","","","0.0658","0.0681","","","","","","1.061","","","","has coordinates","192782","2020-10-21","18:00:00",""
"7040604","32.347","0.007","6.4311","0.0013","11.143","0.003","90","","90","","90","","2318","0.9","100","2","100","2","","","","","","","N/A","4","A m a 2","A 2 -2a","40","Potassium uranyl borate hydrate","Potassium uranyl borate hydrate","","- B6 K O13 U -","- B6 K O13 U -","- B48 K8 O104 U8 -","8","1","","Xu, Xiaomei; Liu, Zhiyong; Yang, Shitong; Chen, Lanhua; Diwu, Juan; Alekseev, Evgeny V.; Chai, Zhifang; Albrecht-Schmitt, Thomas E; Wang, Shuao","Potassium uranyl borate 3D framework compound resulted from temperature directed hydroborate condensation: structure, spectroscopy, and dissolution studies.","Dalton transactions (Cambridge, England : 2003)","2016","45","39","15464","15472","10.1039/c6dt03299k","","","0.71073","MoKα","","0.0469","0.038","","","0.088","0.0908","","","","","","1.108","","","","has coordinates","188127","2020-10-21","18:00:00",""
"7040605","21.2619","0.0015","21.2619","0.0015","14.3882","0.001","90","","90","","120","","5633","0.7","100","","100","","","","","","","","","5","P -3 c 1","-P 3 2""c","165","","","","- C30 H28 Co N5 O5 -","- C30 H28 Co N5.00007 O4.99973 -","- C180 H168 Co6 N30.0004 O29.9984 -","6","0.5","","Cioncoloni, Giacomo; Senn, Hans M.; Sproules, Stephen; Wilson, Claire; Symes, Mark D.","The electronic and solvatochromic properties of [Co(L)(bipyridine)2](+) (L = o-catecholato, o-benzenedithiolato) species: a combined experimental and computational study.","Dalton transactions (Cambridge, England : 2003)","2016","45","39","15575","15585","10.1039/c6dt02807a","","x-ray","0.71075","MoKα","","0.249","0.1258","","","0.3299","0.4028","","","","","","1.111","","","","has coordinates,has disorder","204134","2020-10-21","18:00:00",""
"7040606","29.457","0.009","14.831","0.005","7.499","0.002","90","","99.616","0.005","90","","3230.1","1.7","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C19 H13 Ag N O4 -","- C19 H13 Ag N O4 -","- C152 H104 Ag8 N8 O32 -","8","1","","Song, Yang; Fan, Ruiqing; Fan, Jizhuang; Xing, Kai; Du, Xi; Wang, Ping; Yang, Yulin","Highly sensitive and selective fluorescent probes for Hg(2+) in Ag(i)/Cu(ii) 3D supramolecular architectures based on noncovalent interactions.","Dalton transactions (Cambridge, England : 2003)","2016","45","41","16422","16432","10.1039/c6dt02694j","","","0.71073","MoKα","","0.0872","0.0566","","","0.1428","0.166","","","","","","0.999","","","","has coordinates","188170","2020-10-21","18:00:00",""
"7040607","8.0398","0.0016","9.165","0.0018","12.29","0.003","111.73","0.03","94.75","0.03","97.18","0.03","826.4","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C40 H28 Cu N4 O8 -","- C40 H28 Cu N4 O8 -","- C40 H28 Cu N4 O8 -","1","0.5","","Song, Yang; Fan, Ruiqing; Fan, Jizhuang; Xing, Kai; Du, Xi; Wang, Ping; Yang, Yulin","Highly sensitive and selective fluorescent probes for Hg(2+) in Ag(i)/Cu(ii) 3D supramolecular architectures based on noncovalent interactions.","Dalton transactions (Cambridge, England : 2003)","2016","45","41","16422","16432","10.1039/c6dt02694j","","","0.71073","MoKα","","0.0885","0.0773","","","0.2085","0.2142","","","","","","1.071","","","","has coordinates","188170","2020-10-21","18:00:00",""
"7040608","21.46","0.006","11.416","0.003","17.625","0.005","90","","115.291","0.009","90","","3904","1.9","302","2","302","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C24 H17 Ag N2 O4 -","- C24 H17 Ag N2 O4 -","- C192 H136 Ag8 N16 O32 -","8","1","","Song, Yang; Fan, Ruiqing; Fan, Jizhuang; Xing, Kai; Du, Xi; Wang, Ping; Yang, Yulin","Highly sensitive and selective fluorescent probes for Hg(2+) in Ag(i)/Cu(ii) 3D supramolecular architectures based on noncovalent interactions.","Dalton transactions (Cambridge, England : 2003)","2016","45","41","16422","16432","10.1039/c6dt02694j","","","0.71073","MoKα","","0.1526","0.0651","","","0.1079","0.1265","","","","","","0.952","","","","has coordinates,has disorder","188170","2020-10-21","18:00:00",""
"7040609","23.9817","0.0004","23.9817","0.0004","31.9326","0.0004","90","","90","","120","","15904.7","0.4","120","0.1","120","0.1","","","","","","","","7","P 3 1 c","P 3 -2c","159","","","","- C153.9 H271.8 Cr6 Dy14 N7.5 O147 S4.95 -","- C153.9 H204 Cr6 Dy14 N7.5 O147.01 S2.4 -","- C307.8 H408 Cr12 Dy28 N15 O294.02 S4.8 -","2","0.333333","","Schmitz, Sebastian; van Leusen, Jan; Izarova, Natalya V.; Lan, Yanhua; Wernsdorfer, Wolfgang; Kögerler, Paul; Monakhov, Kirill Yu","Supramolecular 3d-4f single-molecule magnet architectures.","Dalton transactions (Cambridge, England : 2003)","2016","45","41","16148","16152","10.1039/c6dt03392j","","","0.71073","MoKα","","0.1314","0.0865","","","0.2054","0.2467","","","","","","1.091","","","","has coordinates","188147","2020-10-21","18:00:00",""
"7040610","24.0037","0.0006","24.0037","0.0006","32.042","0.0009","90","","90","","120","","15988.5","0.7","120","0.1","120","0.1","","","","","","","","7","P 3 1 c","P 3 -2c","159","","","","- C156 H302.5 Cr6 N7.5 O146 S4.5 Tb14 -","- C153.75 H195 Cr6 N7.5 O146 S2.91 Tb14 -","- C307.5 H390 Cr12 N15 O292 S5.82 Tb28 -","2","0.333333","","Schmitz, Sebastian; van Leusen, Jan; Izarova, Natalya V.; Lan, Yanhua; Wernsdorfer, Wolfgang; Kögerler, Paul; Monakhov, Kirill Yu","Supramolecular 3d-4f single-molecule magnet architectures.","Dalton transactions (Cambridge, England : 2003)","2016","45","41","16148","16152","10.1039/c6dt03392j","","","0.71073","MoKα","","0.1237","0.0709","","","0.157","0.1872","","","","","","1.055","","","","has coordinates","188147","2020-10-21","18:00:00",""
"7040611","23.7804","0.0003","23.7804","0.0003","31.8903","0.0003","90","","90","","120","","15618.1","0.3","120","0.1","120","0.1","","","","","","","","6","P 3 1 c","P 3 -2c","159","","","","- C147 H283.5 Cr6 N7.5 O145.5 Tb14 -","- C147 H226.5 Cr6 N7.5 O145.5 Tb14 -","- C294 H453 Cr12 N15 O291 Tb28 -","2","0.333333","","Schmitz, Sebastian; van Leusen, Jan; Izarova, Natalya V.; Lan, Yanhua; Wernsdorfer, Wolfgang; Kögerler, Paul; Monakhov, Kirill Yu","Supramolecular 3d-4f single-molecule magnet architectures.","Dalton transactions (Cambridge, England : 2003)","2016","45","41","16148","16152","10.1039/c6dt03392j","","","0.71073","MoKα","","0.107","0.064","","","0.1507","0.1819","","","","","","1.071","","","","has coordinates","188147","2020-10-21","18:00:00",""
"7040612","12.318","0.0002","19.291","0.0004","27.0609","0.0005","90","","96.9179","0.0019","90","","6383.6","0.2","100","","100","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C53.5 H60 Ag B2 N9 O13.5 Zn2 -","- C53.5 H60 Ag B2 N9 O13.5 Zn2 -","- C214 H240 Ag4 B8 N36 O54 Zn8 -","4","1","","Marmier, Mathieu; Cecot, Giacomo; Vologzhanina, Anna V.; Bila, José L; Zivkovic, Ivica; Ronnow, Henrik M.; Nafradi, Balint; Solari, Euro; Pattison, Philip; Scopelliti, Rosario; Severin, Kay","Dinuclear clathrochelate complexes with pendent cyano groups as metalloligands.","Dalton transactions (Cambridge, England : 2003)","2016","45","39","15507","15516","10.1039/c6dt02758j","","","1.54178","CuKα","","0.0878","0.0833","","","0.1787","0.1807","","","","","","1","","","","has coordinates,has disorder","188132","2020-10-21","18:00:00",""
"7040613","12.3035","0.0011","19.295","0.004","27.164","0.003","90","","97.324","0.007","90","","6396","1.6","100","","100","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C53.75 H60.5 Ag B2 Co2 N9.5 O14.25 -","- C53.75 H60.5 Ag B2 Co2 N9.5 O14.25 -","- C215 H242 Ag4 B8 Co8 N38 O57 -","4","1","","Marmier, Mathieu; Cecot, Giacomo; Vologzhanina, Anna V.; Bila, José L; Zivkovic, Ivica; Ronnow, Henrik M.; Nafradi, Balint; Solari, Euro; Pattison, Philip; Scopelliti, Rosario; Severin, Kay","Dinuclear clathrochelate complexes with pendent cyano groups as metalloligands.","Dalton transactions (Cambridge, England : 2003)","2016","45","39","15507","15516","10.1039/c6dt02758j","","","0.71073","MoKα","","0.0827","0.0646","","","0.1402","0.1523","","","","","","1.055","","","","has coordinates,has disorder","188132","2020-10-21","18:00:00",""
"7040614","15.6943","0.0003","17.8805","0.0005","18.0418","0.0004","67.658","0.002","78.0034","0.0017","65.41","0.002","4250.73","0.19","140","0.1","140","0.1","","","","","","","","7","P 1","P 1","1","","","","- C78.25 H68.5 Ag B2 N11.5 O12.75 Zn2 -","- C78.25 H68 Ag B2 N11.5 O12.75 Zn2 -","- C156.5 H136 Ag2 B4 N23 O25.5 Zn4 -","2","2","","Marmier, Mathieu; Cecot, Giacomo; Vologzhanina, Anna V.; Bila, José L; Zivkovic, Ivica; Ronnow, Henrik M.; Nafradi, Balint; Solari, Euro; Pattison, Philip; Scopelliti, Rosario; Severin, Kay","Dinuclear clathrochelate complexes with pendent cyano groups as metalloligands.","Dalton transactions (Cambridge, England : 2003)","2016","45","39","15507","15516","10.1039/c6dt02758j","","","0.71073","MoKα","","0.0716","0.0614","","","0.1513","0.1588","","","","","","1.003","","","","has coordinates,has disorder","188132","2020-10-21","18:00:00",""
"7040615","40.6211","0.0002","14.722","0.0001","34.9798","0.0003","90","","90","","90","","20918.8","0.3","120","2","120","","","","","","","","","8","P n a 21","P 2c -2n","33","","","","- C125 H71 Ag3 B4 Cl2 Co4 N22 O19 -","- C125 H71 Ag3 B4 Cl2 Co4 N22 O19 -","- C500 H284 Ag12 B16 Cl8 Co16 N88 O76 -","4","1","","Marmier, Mathieu; Cecot, Giacomo; Vologzhanina, Anna V.; Bila, José L; Zivkovic, Ivica; Ronnow, Henrik M.; Nafradi, Balint; Solari, Euro; Pattison, Philip; Scopelliti, Rosario; Severin, Kay","Dinuclear clathrochelate complexes with pendent cyano groups as metalloligands.","Dalton transactions (Cambridge, England : 2003)","2016","45","39","15507","15516","10.1039/c6dt02758j","","x-ray","0.6971","synchrotron","","0.0947","0.0877","","","0.2011","0.2042","","","","","","1.065","","","","has coordinates","188132","2020-10-21","18:00:00",""
"7040616","11.704","0.002","13.281","0.003","15.626","0.003","90.73","0.03","101.43","0.03","110.72","0.03","2217.6","0.9","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C89 H89 Gd4 N9 O28 -","- C89 H89 Gd4 N9 O28 -","- C89 H89 Gd4 N9 O28 -","1","0.5","","Zhang, Jin; Zhang, Haifeng; Chen, Yanmei; Zhang, Xiangfei; Li, Yahong; Liu, Wei; Dong, Yaping","A series of dinuclear lanthanide complexes with slow magnetic relaxation for Dy2 and Ho2.","Dalton transactions (Cambridge, England : 2003)","2016","45","41","16463","16470","10.1039/c6dt02962k","","","0.71073","MoKα","","0.0886","0.0621","","","0.1487","0.1676","","","","","","1.096","","","","has coordinates,has disorder","188154","2020-10-21","18:00:00",""
"7040617","11.73","0.003","13.274","0.003","15.565","0.004","90.599","0.004","101.174","0.005","110.914","0.004","2212.5","0.9","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C89 H89 Dy4 N9 O28 -","- C89 H89 Dy4 N9 O28 -","- C89 H89 Dy4 N9 O28 -","1","0.5","","Zhang, Jin; Zhang, Haifeng; Chen, Yanmei; Zhang, Xiangfei; Li, Yahong; Liu, Wei; Dong, Yaping","A series of dinuclear lanthanide complexes with slow magnetic relaxation for Dy2 and Ho2.","Dalton transactions (Cambridge, England : 2003)","2016","45","41","16463","16470","10.1039/c6dt02962k","","","0.71073","MoKα","","0.0985","0.0579","","","0.1593","0.1884","","","","","","0.99","","","","has coordinates,has disorder","188154","2020-10-21","18:00:00",""
"7040618","11.714","0.002","13.15","0.003","15.53","0.003","90.39","0.03","101.39","0.03","110.82","0.03","2184.2","0.9","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C89 H89 Ho4 N9 O28 -","- C89 H89 Ho4 N9 O28 -","- C89 H89 Ho4 N9 O28 -","1","0.5","","Zhang, Jin; Zhang, Haifeng; Chen, Yanmei; Zhang, Xiangfei; Li, Yahong; Liu, Wei; Dong, Yaping","A series of dinuclear lanthanide complexes with slow magnetic relaxation for Dy2 and Ho2.","Dalton transactions (Cambridge, England : 2003)","2016","45","41","16463","16470","10.1039/c6dt02962k","","","0.71073","MoKα","","0.0653","0.0477","","","0.1474","0.1842","","","","","","1.114","","","","has coordinates,has disorder","188154","2020-10-21","18:00:00",""
"7040619","11.721","0.002","13.221","0.003","15.494","0.003","90.38","0.03","101.09","0.03","111.08","0.03","2190.9","0.9","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C89 H89 Er4 N9 O28 -","- C89 H89 Er4 N9 O28 -","- C89 H89 Er4 N9 O28 -","1","0.5","","Zhang, Jin; Zhang, Haifeng; Chen, Yanmei; Zhang, Xiangfei; Li, Yahong; Liu, Wei; Dong, Yaping","A series of dinuclear lanthanide complexes with slow magnetic relaxation for Dy2 and Ho2.","Dalton transactions (Cambridge, England : 2003)","2016","45","41","16463","16470","10.1039/c6dt02962k","","","0.71073","MoKα","","0.0798","0.0569","","","0.1681","0.209","","","","","","1.05","","","","has coordinates,has disorder","188154","2020-10-21","18:00:00",""
"7040620","11.733","0.002","13.274","0.003","15.549","0.003","90.64","0.03","101.29","0.03","110.72","0.03","2212.6","0.9","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C89 H89 N9 O28 Tb4 -","- C89 H89 N9 O28 Tb4 -","- C89 H89 N9 O28 Tb4 -","1","0.5","","Zhang, Jin; Zhang, Haifeng; Chen, Yanmei; Zhang, Xiangfei; Li, Yahong; Liu, Wei; Dong, Yaping","A series of dinuclear lanthanide complexes with slow magnetic relaxation for Dy2 and Ho2.","Dalton transactions (Cambridge, England : 2003)","2016","45","41","16463","16470","10.1039/c6dt02962k","","","0.71073","MoKα","","0.1725","0.105","","","0.209","0.2552","","","","","","1.16","","","","has coordinates,has disorder","188154","2020-10-21","18:00:00",""
"7040621","11.729","0.002","13.218","0.002","15.42","0.003","90.156","0.007","100.967","0.007","111.165","0.007","2182","0.7","223","2","223","2","","","","","","","","5","P -1","-P 1","2","","","","- C89 H89 N9 O28 Yb4 -","- C89 H89 N9 O28 Yb4 -","- C89 H89 N9 O28 Yb4 -","1","0.5","","Zhang, Jin; Zhang, Haifeng; Chen, Yanmei; Zhang, Xiangfei; Li, Yahong; Liu, Wei; Dong, Yaping","A series of dinuclear lanthanide complexes with slow magnetic relaxation for Dy2 and Ho2.","Dalton transactions (Cambridge, England : 2003)","2016","45","41","16463","16470","10.1039/c6dt02962k","","","0.71073","MoKα","","0.056","0.0359","","","0.1026","0.1185","","","","","","1.038","","","","has coordinates,has disorder","188154","2020-10-21","18:00:00",""
"7040622","11.674","0.003","13.246","0.004","15.465","0.005","90.536","0.009","101.438","0.009","110.479","0.009","2187.7","1.1","223","2","223","2","","","","","","","","5","P -1","-P 1","2","","","","- C89 H89 Eu4 N9 O28 -","- C89 H89 Eu4 N9 O28 -","- C89 H89 Eu4 N9 O28 -","1","0.5","","Zhang, Jin; Zhang, Haifeng; Chen, Yanmei; Zhang, Xiangfei; Li, Yahong; Liu, Wei; Dong, Yaping","A series of dinuclear lanthanide complexes with slow magnetic relaxation for Dy2 and Ho2.","Dalton transactions (Cambridge, England : 2003)","2016","45","41","16463","16470","10.1039/c6dt02962k","","","0.71073","MoKα","","0.1058","0.0834","","","0.2104","0.2282","","","","","","1.248","","","","has coordinates,has disorder","188154","2020-10-21","18:00:00",""
"7040623","11.783","0.002","21.459","0.004","21.35","0.004","90","","91.787","0.003","90","","5395.8","1.7","296","2","296.15","","","","","","","","","9","P 1 21/c 1","-P 2ybc","14","","","","- C8 H70 B2 Ce2 K4 N4 Na4 O109 W22 -","- C8 H20 B2 Ce2 K4 N4 Na4 O109 W22 -","- C16 H40 B4 Ce4 K8 N8 Na8 O218 W44 -","2","0.5","","Liu, Jiancai; Yu, Jing; Han, Qing; Wen, Yue; Chen, Lijuan; Zhao, Junwei","First quadruple-glycine bridging mono-lanthanide-substituted borotungstate hybrids.","Dalton transactions (Cambridge, England : 2003)","2016","45","41","16471","16484","10.1039/c6dt03148j","","","0.71073","MoKα","","0.0886","0.0579","","","0.131","0.1417","","","","","","1.02","","","","has coordinates","188165","2020-10-21","18:00:00",""
"7040624","11.7069","0.0007","21.601","0.0013","21.3932","0.0014","90","","92.371","0.001","90","","5405.3","0.6","296","2","296.15","","","","","","","","","9","P 1 21/c 1","-P 2ybc","14","","","","- C8 H70 B2 Eu2 K4 N4 Na4 O109 W22 -","- C8 H20 B2 Eu2 K4 N4 Na4 O109 W22 -","- C16 H40 B4 Eu4 K8 N8 Na8 O218 W44 -","2","0.5","","Liu, Jiancai; Yu, Jing; Han, Qing; Wen, Yue; Chen, Lijuan; Zhao, Junwei","First quadruple-glycine bridging mono-lanthanide-substituted borotungstate hybrids.","Dalton transactions (Cambridge, England : 2003)","2016","45","41","16471","16484","10.1039/c6dt03148j","","","0.71073","MoKα","","0.0472","0.0352","","","0.0811","0.0849","","","","","","1.01","","","","has coordinates","188165","2020-10-21","18:00:00",""
"7040625","11.6408","0.001","21.7217","0.0018","21.4679","0.0019","90","","92.451","0.002","90","","5423.4","0.8","296","2","296.15","","","","","","","","","9","P 1 21/c 1","-P 2ybc","14","","","","- C8 H70 B2 K4 N4 Na4 O109 Tm2 W22 -","- C8 H20 B2 K4 N4 Na4 O109 Tm2 W22 -","- C16 H40 B4 K8 N8 Na8 O218 Tm4 W44 -","2","0.5","","Liu, Jiancai; Yu, Jing; Han, Qing; Wen, Yue; Chen, Lijuan; Zhao, Junwei","First quadruple-glycine bridging mono-lanthanide-substituted borotungstate hybrids.","Dalton transactions (Cambridge, England : 2003)","2016","45","41","16471","16484","10.1039/c6dt03148j","","","0.71073","MoKα","","0.0731","0.0435","","","0.0856","0.0932","","","","","","1.026","","","","has coordinates","188165","2020-10-21","18:00:00",""
"7040626","11.7518","0.0009","21.4795","0.0016","21.3507","0.0017","90","","91.908","0.001","90","","5386.4","0.7","296","2","296.15","","","","","","","","","9","P 1 21/c 1","-P 2ybc","14","","","","- C8 H70 B2 K4 N4 Na4 O109 Pr2 W22 -","- C8 H20 B2 K4 N4 Na4 O109 Pr2 W22 -","- C16 H40 B4 K8 N8 Na8 O218 Pr4 W44 -","2","0.5","","Liu, Jiancai; Yu, Jing; Han, Qing; Wen, Yue; Chen, Lijuan; Zhao, Junwei","First quadruple-glycine bridging mono-lanthanide-substituted borotungstate hybrids.","Dalton transactions (Cambridge, England : 2003)","2016","45","41","16471","16484","10.1039/c6dt03148j","","","0.71073","MoKα","","0.0674","0.0405","","","0.0724","0.078","","","","","","1.038","","","","has coordinates","188165","2020-10-21","18:00:00",""
"7040627","11.7598","0.0007","21.7014","0.0014","21.756","0.0014","90","","92.425","0.001","90","","5547.2","0.6","296","2","296.15","","","","","","","","","9","P 1 21/c 1","-P 2ybc","14","","","","- C8 H70 B2 K4 N4 Na4 O109 Sm2 W22 -","- C8 H20 B2 K4 N4 Na4 O109 Sm2 W22 -","- C16 H40 B4 K8 N8 Na8 O218 Sm4 W44 -","2","0.5","","Liu, Jiancai; Yu, Jing; Han, Qing; Wen, Yue; Chen, Lijuan; Zhao, Junwei","First quadruple-glycine bridging mono-lanthanide-substituted borotungstate hybrids.","Dalton transactions (Cambridge, England : 2003)","2016","45","41","16471","16484","10.1039/c6dt03148j","","","0.71073","MoKα","","0.0779","0.0429","","","0.0654","0.0717","","","","","","1.009","","","","has coordinates","188165","2020-10-21","18:00:00",""
"7040628","11.7456","0.0008","21.6247","0.0015","21.5977","0.0015","90","","92.438","0.001","90","","5480.7","0.7","296","2","296.15","","","","","","","","","9","P 1 21/c 1","-P 2ybc","14","","","","- C8 H70 B2 K4 N4 Na4 Nd2 O109 W22 -","- C8 H20 B2 K4 N4 Na4 Nd2 O109 W22 -","- C16 H40 B4 K8 N8 Na8 Nd4 O218 W44 -","2","0.5","","Liu, Jiancai; Yu, Jing; Han, Qing; Wen, Yue; Chen, Lijuan; Zhao, Junwei","First quadruple-glycine bridging mono-lanthanide-substituted borotungstate hybrids.","Dalton transactions (Cambridge, England : 2003)","2016","45","41","16471","16484","10.1039/c6dt03148j","","","0.71073","MoKα","","0.0439","0.0334","","","0.0791","0.0827","","","","","","1.024","","","","has coordinates","188165","2020-10-21","18:00:00",""
"7040629","20.461","0.013","12.778","0.009","15.797","0.014","90","","108.451","0.014","90","","3918","5","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C42 H58 Si2 U -","- C42 H58 Si2 U -","- C168 H232 Si8 U4 -","4","0.5","","Zhang, Lei; Fang, Bo; Hou, Guohua; Ai, Lin; Ding, Wanjian; Walter, Marc D.; Zi, Guofu","Intrinsic reactivity of a uranium metallacyclopropene toward unsaturated organic molecules.","Dalton transactions (Cambridge, England : 2003)","2016","45","41","16441","16452","10.1039/c6dt03005j","","","0.71073","MoKα","","0.0677","0.0564","","","0.1268","0.1327","","","","","","1.003","","","","has coordinates","188166","2020-10-21","18:00:00",""
"7040630","9.946","0.009","10.905","0.01","17.123","0.016","78.448","0.013","81.549","0.014","68.883","0.012","1692","3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C33 H53 N Si2 U -","- C33 H53 N Si2 U -","- C66 H106 N2 Si4 U2 -","2","1","","Zhang, Lei; Fang, Bo; Hou, Guohua; Ai, Lin; Ding, Wanjian; Walter, Marc D.; Zi, Guofu","Intrinsic reactivity of a uranium metallacyclopropene toward unsaturated organic molecules.","Dalton transactions (Cambridge, England : 2003)","2016","45","41","16441","16452","10.1039/c6dt03005j","","","0.71073","MoKα","","0.0711","0.0644","","","0.169","0.1747","","","","","","1.019","","","","has coordinates","188166","2020-10-21","18:00:00",""
"7040631","10.01","0.007","11.707","0.011","17.678","0.012","82.996","0.017","76.372","0.012","65.074","0.011","1825","2","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C40 H54 Si2 U -","- C40 H54 Si2 U -","- C80 H108 Si4 U2 -","2","1","","Zhang, Lei; Fang, Bo; Hou, Guohua; Ai, Lin; Ding, Wanjian; Walter, Marc D.; Zi, Guofu","Intrinsic reactivity of a uranium metallacyclopropene toward unsaturated organic molecules.","Dalton transactions (Cambridge, England : 2003)","2016","45","41","16441","16452","10.1039/c6dt03005j","","","0.71073","MoKα","","0.1063","0.0728","","","0.1675","0.1972","","","","","","0.954","","","","has coordinates","188166","2020-10-21","18:00:00",""
"7040632","11.201","0.015","15.69","0.02","19.7","0.03","88.63","0.02","81.5","0.03","89.31","0.02","3423","8","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C82 H98 U2 -","- C82 H98 U2 -","- C164 H196 U4 -","2","1","","Zhang, Lei; Fang, Bo; Hou, Guohua; Ai, Lin; Ding, Wanjian; Walter, Marc D.; Zi, Guofu","Intrinsic reactivity of a uranium metallacyclopropene toward unsaturated organic molecules.","Dalton transactions (Cambridge, England : 2003)","2016","45","41","16441","16452","10.1039/c6dt03005j","","","0.71073","MoKα","","0.0717","0.0446","","","0.1008","0.1122","","","","","","0.959","","","","has coordinates","188166","2020-10-21","18:00:00",""
"7040633","9.785","0.008","10.877","0.009","17.182","0.014","79.242","0.013","76.814","0.013","78.007","0.015","1723","2","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C34 H58 O Si2 U -","- C34 H58 O Si2 U -","- C68 H116 O2 Si4 U2 -","2","1","","Zhang, Lei; Fang, Bo; Hou, Guohua; Ai, Lin; Ding, Wanjian; Walter, Marc D.; Zi, Guofu","Intrinsic reactivity of a uranium metallacyclopropene toward unsaturated organic molecules.","Dalton transactions (Cambridge, England : 2003)","2016","45","41","16441","16452","10.1039/c6dt03005j","","","0.71073","MoKα","","0.087","0.0784","","","0.2046","0.2141","","","","","","1.034","","","","has coordinates","188166","2020-10-21","18:00:00",""
"7040634","9.666","0.01","11.556","0.012","12.665","0.013","69.074","0.011","86.749","0.01","74.076","0.012","1269","2","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C58 H74 O4 U2 -","- C58 H74 O4 U2 -","- C58 H74 O4 U2 -","1","0.5","","Zhang, Lei; Fang, Bo; Hou, Guohua; Ai, Lin; Ding, Wanjian; Walter, Marc D.; Zi, Guofu","Intrinsic reactivity of a uranium metallacyclopropene toward unsaturated organic molecules.","Dalton transactions (Cambridge, England : 2003)","2016","45","41","16441","16452","10.1039/c6dt03005j","","","0.71073","MoKα","","0.0641","0.0496","","","0.1247","0.1345","","","","","","1.075","","","","has coordinates,has disorder","188166","2020-10-21","18:00:00",""
"7040635","10.564","0.01","13.462","0.012","15.492","0.015","75.614","0.016","76.097","0.017","74.444","0.014","2020","3","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C44 H66 N3 U -","- C44 H66 N3 U -","- C88 H132 N6 U2 -","2","1","","Zhang, Lei; Fang, Bo; Hou, Guohua; Ai, Lin; Ding, Wanjian; Walter, Marc D.; Zi, Guofu","Intrinsic reactivity of a uranium metallacyclopropene toward unsaturated organic molecules.","Dalton transactions (Cambridge, England : 2003)","2016","45","41","16441","16452","10.1039/c6dt03005j","","","0.71073","MoKα","","0.0693","0.0601","","","0.1617","0.1712","","","","","","1.01","","","","has coordinates,has disorder","188166","2020-10-21","18:00:00",""
"7040636","9.525","0.004","18.419","0.008","16.332","0.007","90","","92.404","0.009","90","","2863","2","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C34 H38 O2 U -","- C34 H38 O2 U -","- C136 H152 O8 U4 -","4","1","","Zhang, Lei; Fang, Bo; Hou, Guohua; Ai, Lin; Ding, Wanjian; Walter, Marc D.; Zi, Guofu","Intrinsic reactivity of a uranium metallacyclopropene toward unsaturated organic molecules.","Dalton transactions (Cambridge, England : 2003)","2016","45","41","16441","16452","10.1039/c6dt03005j","","","0.71073","MoKα","","0.0748","0.0435","","","0.0887","0.1","","","","","","1.03","","","","has coordinates","188166","2020-10-21","18:00:00",""
"7040637","9.716","0.005","21.054","0.01","21.626","0.009","90","","90.336","0.012","90","","4424","4","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C49 H63 N Si2 U -","- C49 H63 N Si2 U -","- C196 H252 N4 Si8 U4 -","4","1","","Zhang, Lei; Fang, Bo; Hou, Guohua; Ai, Lin; Ding, Wanjian; Walter, Marc D.; Zi, Guofu","Intrinsic reactivity of a uranium metallacyclopropene toward unsaturated organic molecules.","Dalton transactions (Cambridge, England : 2003)","2016","45","41","16441","16452","10.1039/c6dt03005j","","","0.71073","MoKα","","0.0899","0.0674","","","0.1548","0.1686","","","","","","0.977","","","","has coordinates","188166","2020-10-21","18:00:00",""
"7040638","10.578","0.008","11.855","0.008","20.884","0.015","77.729","0.012","82.302","0.013","68.237","0.011","2372","3","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C51 H74 O Th -","- C51 H74 O Th -","- C102 H148 O2 Th2 -","2","1","","Zhang, Lei; Fang, Bo; Hou, Guohua; Ai, Lin; Ding, Wanjian; Walter, Marc D.; Zi, Guofu","Intrinsic reactivity of a uranium metallacyclopropene toward unsaturated organic molecules.","Dalton transactions (Cambridge, England : 2003)","2016","45","41","16441","16452","10.1039/c6dt03005j","","","0.71073","MoKα","","0.0989","0.0872","","","0.2237","0.2411","","","","","","1.04","","","","has coordinates","188166","2020-10-21","18:00:00",""
"7040639","19.17","0.02","19.61","0.03","20.3","0.03","90","","90","","90","","7631","18","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C35 H58 N2 Si2 U -","- C35 H58 N2 Si2 U -","- C280 H464 N16 Si16 U8 -","8","1","","Zhang, Lei; Fang, Bo; Hou, Guohua; Ai, Lin; Ding, Wanjian; Walter, Marc D.; Zi, Guofu","Intrinsic reactivity of a uranium metallacyclopropene toward unsaturated organic molecules.","Dalton transactions (Cambridge, England : 2003)","2016","45","41","16441","16452","10.1039/c6dt03005j","","","0.71073","MoKα","","0.0823","0.0434","","","0.0925","0.1067","","","","","","1.001","","","","has coordinates","188166","2020-10-21","18:00:00",""
"7040640","11.624","0.004","19.697","0.007","20.839","0.008","90","","97.453","0.008","90","","4731","3","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C56 H76 O Th -","- C56 H76 O Th -","- C224 H304 O4 Th4 -","4","1","","Zhang, Lei; Fang, Bo; Hou, Guohua; Ai, Lin; Ding, Wanjian; Walter, Marc D.; Zi, Guofu","Intrinsic reactivity of a uranium metallacyclopropene toward unsaturated organic molecules.","Dalton transactions (Cambridge, England : 2003)","2016","45","41","16441","16452","10.1039/c6dt03005j","","","0.71073","MoKα","","0.09","0.0519","","","0.0943","0.108","","","","","","0.964","","","","has coordinates","188166","2020-10-21","18:00:00",""
"7040641","14.19","0.005","15.045","0.005","20.45","0.007","90","","107.803","0.006","90","","4157","2","123","","123","","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C41 H43 Cl F6 N7 O4 P Ru -","- C41 H43 Cl F6 N7 O4 P Ru -","- C164 H172 Cl4 F24 N28 O16 P4 Ru4 -","4","1","","Ohtsu, Hideki; Fujii, Sho; Tsuge, Kiyoshi; Tanaka, Koji","Novel synthesis of a four-electron-reduced ruthenium(ii) NADH-type complex under water-gas-shift reaction conditions.","Dalton transactions (Cambridge, England : 2003)","2016","45","41","16130","16133","10.1039/c6dt02759h","","","0.71075","MoKα","","0.0869","0.0652","","","0.1562","0.1733","","","","","","1.1","","","","has coordinates","188150","2020-10-21","18:00:00",""
"7040642","31.866","0.003","31.866","0.003","6.8364","0.0004","90","","90","","120","","6011.9","0.9","293","2","293","2","","","","","","","","6","R 3 c :H","R 3 -2""c","161","","","","- C8 H10 Ag I2 N O2 -","- C8 H10 Ag I2 N O2 -","- C144 H180 Ag18 I36 N18 O36 -","18","1","","Yu, Tan-Lai; Hao, Peng-Fei; Shen, Jun-Ju; Li, Hui-Hui; Fu, Yun-Long","Stoichiometry-controlled structural and functional variation in two photochromic iodoargentates with a fast and wide range response.","Dalton transactions (Cambridge, England : 2003)","2016","45","41","16505","16510","10.1039/c6dt03105f","","","0.71073","MoKα","","0.0525","0.0392","","","0.0751","0.0814","","","","","","1.033","","","","has coordinates","188156","2020-10-21","18:00:00",""
"7040643","16.1876","0.0015","14.416","0.001","17.2781","0.0017","90","","115.022","0.012","90","","3653.6","0.7","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C8 H10 Ag3 I4 N O2 -","- C8 H10 Ag3 I4 N O2 -","- C64 H80 Ag24 I32 N8 O16 -","8","1","","Yu, Tan-Lai; Hao, Peng-Fei; Shen, Jun-Ju; Li, Hui-Hui; Fu, Yun-Long","Stoichiometry-controlled structural and functional variation in two photochromic iodoargentates with a fast and wide range response.","Dalton transactions (Cambridge, England : 2003)","2016","45","41","16505","16510","10.1039/c6dt03105f","","","0.71073","MoKα","","0.0724","0.0547","","","0.1318","0.1465","","","","","","1.034","","","","has coordinates","188156","2020-10-21","18:00:00",""
"7040644","13.6084","0.0004","14.787","0.0004","16.1275","0.0004","87.012","0.001","85.097","0.001","89.136","0.001","3228.84","0.15","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C32 H35 B Cl2 Ir N7 O -","- C32 H35 B Cl2 Ir N7 O -","- C128 H140 B4 Cl8 Ir4 N28 O4 -","4","2","","Padilla, Rosa; Salazar-Pereda, Verónica; Mendoza-Espinosa, Daniel; Vásquez-Pérez, José M; Andrade-López, Noemí; Tamariz, Joaquín; Alvarado-Rodríguez, José G; Cruz-Borbolla, Julián","Activation of aldehydes by exocyclic iridium(i)-η(4):π(2)-diene complexes derived from 1,3-oxazolidin-2-ones.","Dalton transactions (Cambridge, England : 2003)","2016","45","42","16878","16888","10.1039/c6dt02866g","","","0.71073","MoKα","","0.0605","0.0324","","","0.0644","0.0744","","","","","","1.014","","","","has coordinates","188237","2020-10-21","18:00:00",""
"7040645","10.509","0.0006","18.6526","0.001","20.9424","0.0012","87.867","0.002","77.42","0.002","81.622","0.002","3963.8","0.4","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C79 H103 B2 Cl2 Ir2 N16 O6 -","- C79 H103 B2 Cl2 Ir2 N16 O6 -","- C158 H206 B4 Cl4 Ir4 N32 O12 -","2","1","","Padilla, Rosa; Salazar-Pereda, Verónica; Mendoza-Espinosa, Daniel; Vásquez-Pérez, José M; Andrade-López, Noemí; Tamariz, Joaquín; Alvarado-Rodríguez, José G; Cruz-Borbolla, Julián","Activation of aldehydes by exocyclic iridium(i)-η(4):π(2)-diene complexes derived from 1,3-oxazolidin-2-ones.","Dalton transactions (Cambridge, England : 2003)","2016","45","42","16878","16888","10.1039/c6dt02866g","","","0.71073","MoKα","","0.1266","0.0573","","","0.1206","0.1418","","","","","","1.049","","","","has coordinates,has disorder","188237","2020-10-21","18:00:00",""
"7040646","10.8761","0.0002","38.3489","0.0007","10.6185","0.0002","90","","94.92","0.002","90","","4412.51","0.14","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C72 H84 N16 S10 Sn6 -","- C72 H84 N16 S10 Sn6 -","- C144 H168 N32 S20 Sn12 -","2","0.5","","Leusmann, Eliza; Geringer, Eugenie; Weinert, Bastian; Dehnen, Stefanie","{[Ir3(cod)3(μ3-S)2](μ3-S)SnCl}2 - a ternary Ir-Sn-S cluster with the iridium atoms in three different chemical environments.","Dalton transactions (Cambridge, England : 2003)","2016","45","39","15298","15302","10.1039/c6dt02910h","","","0.71073","MoKα","","0.0513","0.0377","","","0.0867","0.0917","","","","","","0.967","","","","has coordinates","188140","2020-10-21","18:00:00",""
"7040647","10.13","0.004","10.979","0.004","13.757","0.004","108.21","0.02","89.91","0.03","90.32","0.03","1453.4","0.9","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C50 H76 Cl6 Ir6 S6 Sn2 -","- C50 H76 Cl6 Ir6 S6 Sn2 -","- C50 H76 Cl6 Ir6 S6 Sn2 -","1","0.5","","Leusmann, Eliza; Geringer, Eugenie; Weinert, Bastian; Dehnen, Stefanie","{[Ir3(cod)3(μ3-S)2](μ3-S)SnCl}2 - a ternary Ir-Sn-S cluster with the iridium atoms in three different chemical environments.","Dalton transactions (Cambridge, England : 2003)","2016","45","39","15298","15302","10.1039/c6dt02910h","","","0.71073","MoKα","","0.2198","0.0581","","","0.1006","0.1427","","","","","","0.739","","","","has coordinates","188140","2020-10-21","18:00:00",""
"7040648","8.5326","0.0003","10.2707","0.0003","14.0922","0.0005","87.943","0.002","82.422","0.002","70.943","0.001","1157.07","0.07","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C48 H44 K2 N8 O12 V2 -","- C48 H44 K2 N8 O12 V2 -","- C48 H44 K2 N8 O12 V2 -","1","0.5","","Maurya, Mannar R.; Sarkar, Bithika; Avecilla, Fernando; Correia, Isabel","Vanadium(iv and v) complexes of pyrazolone based ligands: Synthesis, structural characterization and catalytic applications.","Dalton transactions (Cambridge, England : 2003)","2016","45","43","17343","17364","10.1039/c6dt03425j","","","0.71073","MoKα","","0.0361","0.0313","","","0.094","0.1074","","","","","","1.132","","","","has coordinates","188184","2020-10-21","18:00:00",""
"7040649","11.6725","0.0008","22.2312","0.0015","9.1846","0.0006","90","","96.914","0.002","90","","2366","0.3","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C44 H38 K2 N8 O14 V2 -","- C44 H38 K2 N8 O14 V2 -","- C88 H76 K4 N16 O28 V4 -","2","0.5","","Maurya, Mannar R.; Sarkar, Bithika; Avecilla, Fernando; Correia, Isabel","Vanadium(iv and v) complexes of pyrazolone based ligands: Synthesis, structural characterization and catalytic applications.","Dalton transactions (Cambridge, England : 2003)","2016","45","43","17343","17364","10.1039/c6dt03425j","","","0.71073","MoKα","","0.119","0.0603","","","0.1564","0.1986","","","","","","1.033","","","","has coordinates,has disorder","188184","2020-10-21","18:00:00",""
"7040650","8.559","0.0016","10.2574","0.0018","14.448","0.002","83.719","0.011","78.317","0.011","71.534","0.011","1176.8","0.4","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H22 N4 O5.5 V -","- C24 H22 N4 O5.5 V -","- C48 H44 N8 O11 V2 -","2","1","","Maurya, Mannar R.; Sarkar, Bithika; Avecilla, Fernando; Correia, Isabel","Vanadium(iv and v) complexes of pyrazolone based ligands: Synthesis, structural characterization and catalytic applications.","Dalton transactions (Cambridge, England : 2003)","2016","45","43","17343","17364","10.1039/c6dt03425j","","","0.71073","MoKα","","0.1261","0.0691","","","0.1999","0.2376","","","","","","0.993","","","","has coordinates","188184","2020-10-21","18:00:00",""
"7040651","25.862","0.003","7.1899","0.0007","21.357","0.002","90","","98.156","0.005","90","","3931.1","0.7","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C22 H17 N4 O5 V -","- C22 H17 N4 O5 V -","- C176 H136 N32 O40 V8 -","8","1","","Maurya, Mannar R.; Sarkar, Bithika; Avecilla, Fernando; Correia, Isabel","Vanadium(iv and v) complexes of pyrazolone based ligands: Synthesis, structural characterization and catalytic applications.","Dalton transactions (Cambridge, England : 2003)","2016","45","43","17343","17364","10.1039/c6dt03425j","","","0.71073","MoKα","","0.0406","0.0315","","","0.0894","0.104","","","","","","1.107","","","","has coordinates","188184","2020-10-21","18:00:00",""
"7040652","9.0595","0.0008","9.6948","0.0009","12.4414","0.0013","95.526","0.006","98.606","0.006","94.41","0.006","1070.77","0.18","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C23 H18 N5 O4 V -","- C23 H18 N5 O4 V -","- C46 H36 N10 O8 V2 -","2","1","","Maurya, Mannar R.; Sarkar, Bithika; Avecilla, Fernando; Correia, Isabel","Vanadium(iv and v) complexes of pyrazolone based ligands: Synthesis, structural characterization and catalytic applications.","Dalton transactions (Cambridge, England : 2003)","2016","45","43","17343","17364","10.1039/c6dt03425j","","","0.71073","MoKα","","0.0746","0.0457","","","0.1125","0.1318","","","","","","1.055","","","","has coordinates","188184","2020-10-21","18:00:00",""
"7040653","8.2826","0.0007","11.0071","0.0009","14.2227","0.0012","87.501","0.005","81.094","0.005","82.501","0.004","1269.7","0.18","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C25 H24 N5 O5 S V -","- C25 H24 N5 O5 S V -","- C50 H48 N10 O10 S2 V2 -","2","1","","Maurya, Mannar R.; Sarkar, Bithika; Avecilla, Fernando; Correia, Isabel","Vanadium(iv and v) complexes of pyrazolone based ligands: Synthesis, structural characterization and catalytic applications.","Dalton transactions (Cambridge, England : 2003)","2016","45","43","17343","17364","10.1039/c6dt03425j","","","0.71073","MoKα","","0.0408","0.0331","","","0.0985","0.1128","","","","","","1.109","","","","has coordinates","188184","2020-10-21","18:00:00",""
"7040654","14.133","0.004","11.772","0.004","26.621","0.008","90","","103.35","0.017","90","","4309","2","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C23 H19 N4 O5 V -","- C23 H19 N4 O5 V -","- C184 H152 N32 O40 V8 -","8","1","","Maurya, Mannar R.; Sarkar, Bithika; Avecilla, Fernando; Correia, Isabel","Vanadium(iv and v) complexes of pyrazolone based ligands: Synthesis, structural characterization and catalytic applications.","Dalton transactions (Cambridge, England : 2003)","2016","45","43","17343","17364","10.1039/c6dt03425j","","","0.71073","MoKα","","0.0921","0.0495","","","0.1237","0.1476","","","","","","1.06","","","","has coordinates","188184","2020-10-21","18:00:00",""
"7040655","12.4274","0.0004","10.6731","0.0003","17.2083","0.0005","90","","110.584","0.002","90","","2136.77","0.11","100","2","100","2","","","","","","","synthesis as described","5","P 1 21/c 1","-P 2ybc","14","[Pb2(L)2]","2","","- C24 H20 N4 O4 Pb -","- C24 H20 N4 O4 Pb -","- C96 H80 N16 O16 Pb4 -","4","1","","Romero, María J; Carballido, Rocío; Rodríguez-Silva, Laura; Maneiro, Marcelino; Zaragoza, Guillermo; González-Noya, Ana M; Pedrido, Rosa","An unusual assembled Pb(ii) meso-helicate that shows the inert pair effect.","Dalton transactions (Cambridge, England : 2003)","2016","45","41","16162","16165","10.1039/c6dt03106d","","x-ray","0.7107","MoKα","","0.0545","0.0333","","","0.0612","0.0676","","","","","","1.007","","","","has coordinates","188149","2020-10-21","18:00:00",""
"7040656","15.1399","0.0014","24.824","0.002","25.19","0.003","90","","103.469","0.002","90","","9206.8","1.6","296","2","296.15","","","","","","","","","6","I 1 2/m 1","-I 2y","12","","","","- H43 K14 Na6 Nb32 Ni10 O183 -","- K14 Na6 Nb32 Ni10 O183 -","- K28 Na12 Nb64 Ni20 O366 -","2","0.25","","Liang, Zhijie; Zhang, Dongdi; Wang, Haiying; Ma, Pengtao; Yang, Zongfei; Niu, Jingyang; Wang, Jingping","The {Ni10Nb32} aggregate: a perspective on isopolyniobates as ligands.","Dalton transactions (Cambridge, England : 2003)","2016","45","41","16173","16176","10.1039/c6dt02575g","","","0.71073","MoKα","","0.0893","0.0572","","","0.133","0.1646","","","","","","1.053","","","","has coordinates","188155","2020-10-21","18:00:00",""
"7040657","37.7785","0.0011","7.4676","0.0002","29.572","0.0007","90","","128.268","0.003","90","","6550","0.4","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C30 H19 N18 O1.5 Pb2.5 -","- C30 H19 N18 O1.5 Pb2.5 -","- C240 H152 N144 O12 Pb20 -","8","1","","Xiang, Jing; Shen, Chang; Cheng, Shun-Cheung; Yu, Fei; Chu, Wing-Kin; Feng, Hua; Yiu, Shek-Man; Ko, Chi-Chiu; Leung, Chi-Fai","Luminescence behaviour of Pb(2+)-based cage-containing and channel-containing porous coordination polymers.","Dalton transactions (Cambridge, England : 2003)","2016","45","41","16134","16138","10.1039/c6dt02986h","","","1.54178","CuKα","","0.0684","0.0441","","","0.0877","0.0981","","","","","","0.991","","","","has coordinates","188161","2020-10-21","18:00:00",""
"7040658","33.2975","0.0017","33.2975","0.0017","9.6334","0.0005","90","","90","","120","","9249.8","0.8","293","2","293","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C26 H18 N17.89 O2 Pb2 -","- C26 H18 N17.8888 O2 Pb2 -","- C234 H162 N160.999 O18 Pb18 -","9","0.5","","Xiang, Jing; Shen, Chang; Cheng, Shun-Cheung; Yu, Fei; Chu, Wing-Kin; Feng, Hua; Yiu, Shek-Man; Ko, Chi-Chiu; Leung, Chi-Fai","Luminescence behaviour of Pb(2+)-based cage-containing and channel-containing porous coordination polymers.","Dalton transactions (Cambridge, England : 2003)","2016","45","41","16134","16138","10.1039/c6dt02986h","","","1.54184","CuKα","","0.1402","0.0834","","","0.2108","0.2604","","","","","","0.967","","","","has coordinates","188161","2020-10-21","18:00:00",""
"7040659","9.89","0.003","36.718","0.009","8.509","0.002","90","","113.639","0.007","90","","2830.7","1.3","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C30 H42 Cl N2 P Ru -","- C30 H42 Cl N2 P Ru -","- C120 H168 Cl4 N8 P4 Ru4 -","4","1","","Peganova, Tat'yana A.; Sinopalnikova, Iana S.; Peregudov, Alexander S.; Fedyanin, Ivan V.; Demonceau, Albert; Ustynyuk, Nikolai A.; Kalsin, Alexander M.","The half-sandwich 18- and 16-electron arene ruthenium iminophosphonamide complexes.","Dalton transactions (Cambridge, England : 2003)","2016","45","42","17030","17041","10.1039/c6dt03202h","","","0.71073","MoKα","","0.0579","0.0385","","","0.0774","0.0835","","","","","","1.04","","","","has coordinates","192782","2020-10-21","18:00:00",""
"7040660","9.7804","0.0006","32.185","0.002","12.035","0.0008","90","","107.296","0.001","90","","3617.1","0.4","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C38 H42 F6 N2 P2 Ru -","- C38 H42 F6 N2 P2 Ru -","- C152 H168 F24 N8 P8 Ru4 -","4","1","","Peganova, Tat'yana A.; Sinopalnikova, Iana S.; Peregudov, Alexander S.; Fedyanin, Ivan V.; Demonceau, Albert; Ustynyuk, Nikolai A.; Kalsin, Alexander M.","The half-sandwich 18- and 16-electron arene ruthenium iminophosphonamide complexes.","Dalton transactions (Cambridge, England : 2003)","2016","45","42","17030","17041","10.1039/c6dt03202h","","","0.71073","MoKα","","0.0715","0.0461","","","0.094","0.1043","","","","","","1.087","","","","has coordinates","192782","2020-10-21","18:00:00",""
"7040661","25.9645","0.0003","9.9676","0.0001","23.1951","0.0003","90","","96.5526","0.0006","90","","5963.76","0.12","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C30 H42 B F4 N2 P Ru -","- C30 H42 B F4 N2 P Ru -","- C240 H336 B8 F32 N16 P8 Ru8 -","8","1","","Peganova, Tat'yana A.; Sinopalnikova, Iana S.; Peregudov, Alexander S.; Fedyanin, Ivan V.; Demonceau, Albert; Ustynyuk, Nikolai A.; Kalsin, Alexander M.","The half-sandwich 18- and 16-electron arene ruthenium iminophosphonamide complexes.","Dalton transactions (Cambridge, England : 2003)","2016","45","42","17030","17041","10.1039/c6dt03202h","","","0.71073","MoKα","","0.0239","0.0218","","","0.0625","0.0641","","","","","","1.043","","","","has coordinates,has disorder","192782","2020-10-21","18:00:00",""
"7040662","8.6451","0.0009","20.932","0.002","17.7244","0.0019","90","","99.594","0.002","90","","3162.5","0.6","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C38 H42 Cl N2 P Ru -","- C38 H42 Cl N2 P Ru -","- C152 H168 Cl4 N8 P4 Ru4 -","4","1","","Peganova, Tat'yana A.; Sinopalnikova, Iana S.; Peregudov, Alexander S.; Fedyanin, Ivan V.; Demonceau, Albert; Ustynyuk, Nikolai A.; Kalsin, Alexander M.","The half-sandwich 18- and 16-electron arene ruthenium iminophosphonamide complexes.","Dalton transactions (Cambridge, England : 2003)","2016","45","42","17030","17041","10.1039/c6dt03202h","","","0.71073","MoKα","","0.0769","0.0388","","","0.0591","0.067","","","","","","1.007","","","","has coordinates","192782","2020-10-21","18:00:00",""
"7040663","8.8288","0.0013","8.855","0.0013","16.886","0.003","87.525","0.003","79.413","0.002","68.626","0.002","1208","0.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C26 H34 Cl N2 P Ru -","- C26 H34 Cl N2 P Ru -","- C52 H68 Cl2 N4 P2 Ru2 -","2","1","","Peganova, Tat'yana A.; Sinopalnikova, Iana S.; Peregudov, Alexander S.; Fedyanin, Ivan V.; Demonceau, Albert; Ustynyuk, Nikolai A.; Kalsin, Alexander M.","The half-sandwich 18- and 16-electron arene ruthenium iminophosphonamide complexes.","Dalton transactions (Cambridge, England : 2003)","2016","45","42","17030","17041","10.1039/c6dt03202h","","","0.71073","MoKα","","0.0673","0.0506","","","0.1184","0.1262","","","","","","1.036","","","","has coordinates","192782","2020-10-21","18:00:00",""
"7040664","12.2605","0.0008","28.9349","0.0015","17.1266","0.001","90","","108.197","0.002","90","","5771.9","0.6","120","2","120","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C58 H46 B F24 N2 P Ru -","- C58 H46 B F24 N2 P Ru -","- C232 H184 B4 F96 N8 P4 Ru4 -","4","1","","Peganova, Tat'yana A.; Sinopalnikova, Iana S.; Peregudov, Alexander S.; Fedyanin, Ivan V.; Demonceau, Albert; Ustynyuk, Nikolai A.; Kalsin, Alexander M.","The half-sandwich 18- and 16-electron arene ruthenium iminophosphonamide complexes.","Dalton transactions (Cambridge, England : 2003)","2016","45","42","17030","17041","10.1039/c6dt03202h","","","0.71073","MoKα","","0.1344","0.0653","","","0.1322","0.157","","","","","","1.06","","","","has coordinates","192782","2020-10-21","18:00:00",""
"7040665","14.029","0.003","41.786","0.008","37.004","0.006","90","","94.315","0.009","90","","21631","7","173","2","173","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C136 H130 Cl30 I9 N15 O33 Pd3 -","- C134 H128 Cl24 I9 N12 O24 Pd3 -","- C536 H512 Cl96 I36 N48 O96 Pd12 -","4","0.5","","Lee, Haeri; Choi, Eunkyung; Noh, Tae Hwan; Jung, Ok-Sang","Recyclable scavengers for photo-cyclopropanation via an in situ crystallization process.","Dalton transactions (Cambridge, England : 2003)","2016","45","46","18476","18483","10.1039/c6dt02604d","","","0.71073","MoKα","","0.3026","0.1314","","","0.3742","0.4415","","","","","","1.036","","","","has coordinates","190111","2020-10-21","18:00:00",""
"7040666","21.883","0.0007","36.7927","0.0007","24.3223","0.0006","90","","105.571","0.002","90","","18864","0.9","173","2","173","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C146 H204 N18 O64 Pd3 S10 -","- C146 H180 N18 O52 Pd3 S10 -","- C584 H720 N72 O208 Pd12 S40 -","4","0.5","","Lee, Haeri; Choi, Eunkyung; Noh, Tae Hwan; Jung, Ok-Sang","Recyclable scavengers for photo-cyclopropanation via an in situ crystallization process.","Dalton transactions (Cambridge, England : 2003)","2016","45","46","18476","18483","10.1039/c6dt02604d","","","0.71073","MoKα","","0.0826","0.0644","","","0.1868","0.1974","","","","","","1.083","","","","has coordinates,has disorder","190111","2020-10-21","18:00:00",""
"7040667","24.9266","0.0019","24.9266","0.0019","19.706","0.002","90","","90","","120","","10603.6","1.6","173","2","173","2","","","","","","","","6","R 3 c :H","R 3 -2""c","161","","","","- C66 H78 Cl6 N6 O18 Pd3 -","- C60 H54 Cl6 N6 O12 Pd3 -","- C360 H324 Cl36 N36 O72 Pd18 -","6","0.333333","","Lee, Haeri; Choi, Eunkyung; Noh, Tae Hwan; Jung, Ok-Sang","Recyclable scavengers for photo-cyclopropanation via an in situ crystallization process.","Dalton transactions (Cambridge, England : 2003)","2016","45","46","18476","18483","10.1039/c6dt02604d","","","0.71073","MoKα","","0.1446","0.0891","","","0.1464","0.1644","","","","","","1.05","","","","has coordinates","190111","2020-10-21","18:00:00",""
"7040668","25.4354","0.0004","25.4354","0.0004","21.3755","0.0006","90","","90","","120","","11976.3","0.4","173","2","173","2","","","","","","","","6","R 3 c :H","R 3 -2""c","161","","","","- C66 H72 N12 O33 Pd3 S3 -","- C66 H72 N12 O33 Pd3 S3 -","- C396 H432 N72 O198 Pd18 S18 -","6","0.333333","","Lee, Haeri; Choi, Eunkyung; Noh, Tae Hwan; Jung, Ok-Sang","Recyclable scavengers for photo-cyclopropanation via an in situ crystallization process.","Dalton transactions (Cambridge, England : 2003)","2016","45","46","18476","18483","10.1039/c6dt02604d","","","0.71073","MoKα","","0.0809","0.0595","","","0.1526","0.1672","","","","","","1.036","","","","has coordinates,has disorder","190111","2020-10-21","18:00:00",""
"7040669","18.3794","0.0005","72.214","0.002","15.4212","0.0005","90","","110.933","0.002","90","","19116.9","1","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C138 H200 N30 O52 Pd3 S12 -","- C126 H156 N30 O42 Pd3 S6 -","- C504 H624 N120 O168 Pd12 S24 -","4","1","","Lee, Haeri; Choi, Eunkyung; Noh, Tae Hwan; Jung, Ok-Sang","Recyclable scavengers for photo-cyclopropanation via an in situ crystallization process.","Dalton transactions (Cambridge, England : 2003)","2016","45","46","18476","18483","10.1039/c6dt02604d","","","0.71073","MoKα","","0.1889","0.1288","","","0.3483","0.3732","","","","","","1.029","","","","has coordinates,has disorder","287899","2023-11-30","17:09:02",""
"7040670","16.3485","0.0002","27.8059","0.0003","33.4695","0.0004","90","","96.134","0.001","90","","15127.6","0.3","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C111 H187.42 N36 O63.71 Pd3 -","- C111 H187.416 N36 O63.708 Pd3 -","- C444 H749.664 N144 O254.832 Pd12 -","4","1","","Lee, Haeri; Choi, Eunkyung; Noh, Tae Hwan; Jung, Ok-Sang","Recyclable scavengers for photo-cyclopropanation via an in situ crystallization process.","Dalton transactions (Cambridge, England : 2003)","2016","45","46","18476","18483","10.1039/c6dt02604d","","","0.71073","MoKα","","0.1147","0.0785","","","0.2209","0.2596","","","","","","1.014","","","","has coordinates,has disorder","190111","2020-10-21","18:00:00",""
"7040671","13.6688","0.001","13.6688","0.001","25.0762","0.0018","90","","90","","120","","4057.4","0.5","90","2","90","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C36 H78 N6 O24 V6 -","- C36 H78 N6 O24 V6 -","- C108 H234 N18 O72 V18 -","3","0.166667","","Li, H.; Swenson, L.; Doedens, R. J.; Khan, M. I.","An organo-functionalized metal-oxide cluster, [VO6{(OCH2CH2)2N(CH2CH2OH)}6], with Anderson-like structure.","Dalton transactions (Cambridge, England : 2003)","2016","45","41","16511","16518","10.1039/c6dt03354g","","","0.71073","MoKα","","0.0485","0.0381","","","0.1089","0.1173","","","","","","1.048","","","","has coordinates","188162","2020-10-21","18:00:00",""
"7040672","17.921","0.004","17.872","0.004","26.204","0.005","90","","93.38","0.03","90","","8378","3","150","2","150","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","1,4-bis(1-naphthyltelluro)butane","","- C24 H22 Te2 -","- C24 H22 Te2 -","- C384 H352 Te32 -","16","2","","Poropudas, Merja J.; Rautiainen, J. Mikko; Oilunkaniemi, Raija; Laitinen, Risto S.","Synthesis, characterization, and ligand behaviour of a new ditelluroether (C10H7)Te(CH2)4Te(C10H7) and the concurrently formed ionic [(C10H7)Te(CH2)4]Br.","Dalton transactions (Cambridge, England : 2003)","2016","45","43","17206","17215","10.1039/c6dt02599d","","","0.71073","MoKα","","0.1432","0.0927","","","0.16","0.1789","","","","","","1.17","","","","has coordinates,has disorder","188190","2020-10-21","18:00:00",""
"7040673","7.2568","0.0015","12.253","0.003","15.227","0.003","90","","90","","90","","1353.9","0.5","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","1-naphthyltetrahydrotellurophenium bromide","","- C14 H15 Br Te -","- C14 H15 Br Te -","- C56 H60 Br4 Te4 -","4","1","","Poropudas, Merja J.; Rautiainen, J. Mikko; Oilunkaniemi, Raija; Laitinen, Risto S.","Synthesis, characterization, and ligand behaviour of a new ditelluroether (C10H7)Te(CH2)4Te(C10H7) and the concurrently formed ionic [(C10H7)Te(CH2)4]Br.","Dalton transactions (Cambridge, England : 2003)","2016","45","43","17206","17215","10.1039/c6dt02599d","","","0.71073","MoKα","","0.0713","0.0457","","","0.0687","0.0763","","","","","","1.101","","","","has coordinates","188190","2020-10-21","18:00:00",""
"7040674","7.425","0.005","11.072","0.005","14.288","0.005","91.048","0.005","101.586","0.005","106.987","0.005","1096.8","1","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","Bis{(mu-bromido)[mu-(1,4-bis(1-naphthyltelluro)butane]copper}","","- C48 H44 Br2 Cu2 Te4 -","- C48 H44 Br2 Cu2 Te4 -","- C48 H44 Br2 Cu2 Te4 -","1","0.5","","Poropudas, Merja J.; Rautiainen, J. Mikko; Oilunkaniemi, Raija; Laitinen, Risto S.","Synthesis, characterization, and ligand behaviour of a new ditelluroether (C10H7)Te(CH2)4Te(C10H7) and the concurrently formed ionic [(C10H7)Te(CH2)4]Br.","Dalton transactions (Cambridge, England : 2003)","2016","45","43","17206","17215","10.1039/c6dt02599d","","","0.71073","MoKα","","0.0529","0.0382","","","0.0798","0.0852","","","","","","1.103","","","","has coordinates","188190","2020-10-21","18:00:00",""
"7040675","15.679","0.003","12.479","0.003","11.389","0.002","90","","96.32","0.03","90","","2214.8","0.8","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Bis{(mu-bromido)[mu-(1,4-bis(1-naphthyltelluro)butane]copper}","","- C48 H44 Br2 Cu2 Te4 -","- C48 H44 Br2 Cu2 Te4 -","- C96 H88 Br4 Cu4 Te8 -","2","0.5","","Poropudas, Merja J.; Rautiainen, J. Mikko; Oilunkaniemi, Raija; Laitinen, Risto S.","Synthesis, characterization, and ligand behaviour of a new ditelluroether (C10H7)Te(CH2)4Te(C10H7) and the concurrently formed ionic [(C10H7)Te(CH2)4]Br.","Dalton transactions (Cambridge, England : 2003)","2016","45","43","17206","17215","10.1039/c6dt02599d","","","0.71073","MoKα","","0.0737","0.0606","","","0.1215","0.1283","","","","","","1.026","","","","has coordinates","188190","2020-10-21","18:00:00",""
"7040676","10.815","0.002","12.255","0.003","13.905","0.003","64.29","0.03","81.58","0.03","89.23","0.03","1640","0.8","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","bis(1-naphthyltetrahydrotellurophenium) tetrachlorido-mercurate","","- C29 H32 Cl6 Hg Te2 -","- C29 H32 Cl6 Hg Te2 -","- C58 H64 Cl12 Hg2 Te4 -","2","1","","Poropudas, Merja J.; Rautiainen, J. Mikko; Oilunkaniemi, Raija; Laitinen, Risto S.","Synthesis, characterization, and ligand behaviour of a new ditelluroether (C10H7)Te(CH2)4Te(C10H7) and the concurrently formed ionic [(C10H7)Te(CH2)4]Br.","Dalton transactions (Cambridge, England : 2003)","2016","45","43","17206","17215","10.1039/c6dt02599d","","","0.71073","MoKα","","0.0555","0.0447","","","0.1013","0.1074","","","","","","1.105","","","","has coordinates","188190","2020-10-21","18:00:00",""
"7040677","7.1073","0.0014","11.861","0.002","15.403","0.003","90","","90","","90","","1298.5","0.4","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","1-naphthyltetrahydrotellurophenium chloride","","- C14 H15 Cl Te -","- C14 H15 Cl Te -","- C56 H60 Cl4 Te4 -","4","1","","Poropudas, Merja J.; Rautiainen, J. Mikko; Oilunkaniemi, Raija; Laitinen, Risto S.","Synthesis, characterization, and ligand behaviour of a new ditelluroether (C10H7)Te(CH2)4Te(C10H7) and the concurrently formed ionic [(C10H7)Te(CH2)4]Br.","Dalton transactions (Cambridge, England : 2003)","2016","45","43","17206","17215","10.1039/c6dt02599d","","","0.71073","MoKα","","0.055","0.0469","","","0.0979","0.104","","","","","","1.16","","","","has coordinates","188190","2020-10-21","18:00:00",""
"7040678","7.3116","0.0002","22.407","0.0009","7.357","0.0002","90","","90.08","0.002","90","","1205.3","0.07","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","3-amino-N-(pyridin-2-ylmethyl)-propanamide dihydrate","","- C9 H16 Cl Cu N3 O3 -","- C9 H16 Cl Cu N3 O3 -","- C36 H64 Cl4 Cu4 N12 O12 -","4","1","","Jackson, Graham E.; Elmagbari, Fatin M.; Hammouda, Ahmed N.; Bonomo, Raffaele P.","Solution equilibria and the X-ray structure of Cu(ii) complexation with 3-amino-N-(pyridin-2-ylmethyl)propanamide, a pseudo-mimic of human serum albumin.","Dalton transactions (Cambridge, England : 2003)","2016","45","42","17010","17019","10.1039/c6dt02974d","","","0.71073","MoKα","","0.0386","0.0267","","","0.0624","0.0668","","","","","","1.07","","","","has coordinates","188248","2020-10-21","18:00:00",""
"7040679","13.06366","0.00017","13.20669","0.00016","19.4224","0.0002","103.87","0.0011","107.304","0.0011","91.5968","0.001","3088.12","0.07","150","1","150","1","","","","","","","","6","P -1","-P 1","2","","","","- C65 H44 B F24 N P2 -","- C65 H44 B F24 N P2 -","- C130 H88 B2 F48 N2 P4 -","2","1","","Clark, Ewan R.; Borys, Andryj M.; Pearce, Kyle","Donor-substituted phosphanes - surprisingly weak Lewis donors for phosphenium cation stabilisation.","Dalton transactions (Cambridge, England : 2003)","2016","45","41","16125","16129","10.1039/c6dt03478k","","x-ray","1.54184","CuKα","","0.0781","0.0691","","","0.1847","0.193","","","","","","1.045","","","","has coordinates,has disorder","188159","2020-10-21","18:00:00",""
"7040680","3.91052","0.000007","3.91052","0.000007","17.15815","0.00004","90","","90","","120","","227.232","0.0008","963","","963","","","","","","","","","3","P 63/m m c","-P 6c 2c","194","","","","- As0.96 Fe2.643 Te2 -","- As0.96 Fe2.643 Te2 -","- As1.92 Fe5.286 Te4 -","2","0.0833333","","Verchenko, Valeriy Yu; Sokolov, Sergei S.; Tsirlin, Alexander A.; Sobolev, Alexey V.; Presniakov, Igor A.; Bykov, Mikhail A.; Kirsanova, Maria A.; Shevelkov, Andrei V.","New Fe-based layered telluride Fe3-δAs1-yTe2: synthesis, crystal structure and physical properties.","Dalton transactions (Cambridge, England : 2003)","2016","45","42","16938","16947","10.1039/c6dt02721k","powder diffraction","x-ray","0.39996","Synchrotron","","0.0733","0.0348","","0.0342","0.0325","","","","1.35","","","","","","","has coordinates","188240","2020-10-21","18:00:00",""
"7040681","3.85091","0.00009","3.85091","0.00009","17.1367","0.0004","90","","90","","120","","220.082","0.009","300","","300","","","","","","","","","3","P 63/m m c","-P 6c 2c","194","","","","- As0.96 Fe2.72 Te2 -","- As0.96 Fe2.72 Te2 -","- As1.92 Fe5.44 Te4 -","2","0.0833333","","Verchenko, Valeriy Yu; Sokolov, Sergei S.; Tsirlin, Alexander A.; Sobolev, Alexey V.; Presniakov, Igor A.; Bykov, Mikhail A.; Kirsanova, Maria A.; Shevelkov, Andrei V.","New Fe-based layered telluride Fe3-δAs1-yTe2: synthesis, crystal structure and physical properties.","Dalton transactions (Cambridge, England : 2003)","2016","45","42","16938","16947","10.1039/c6dt02721k","powder diffraction","x-ray","1.5406","","","0.0599","0.0502","","0.0604","0.0599","","","","1.44","","","","","","","has coordinates","188240","2020-10-21","18:00:00",""
"7040682","13.4941","0.0013","14.2216","0.0015","14.0514","0.0014","90","","111.062","0.005","90","","2516.4","0.4","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C17 H19 Fe N10 O16 -","- C17 H19 Fe N10 O16 -","- C68 H76 Fe4 N40 O64 -","4","1","","Banik, Rupak; Roy, Subhadip; Dlháň, Ľubor; Titiš, Ján; Boča, Roman; Kirillov, Alexander M.; Martin, Adam D.; Bauza, Antonio; Frontera, Antonio; Rodríguez-Diéguez, Antonio; Salas, Juan M.; Das, Subrata","Self-assembly synthesis, structure, topology, and magnetic properties of a mononuclear Fe(iii)-violurate derivative: a combined experimental and theoretical study.","Dalton transactions (Cambridge, England : 2003)","2016","45","41","16166","16172","10.1039/c6dt03139k","","","0.71073","MoKα","","0.0573","0.0425","","","0.1172","0.1267","","","","","","1.032","","","","has coordinates,has disorder","188164","2020-10-21","18:00:00",""
"7040683","9.537","0.0015","9.7552","0.0015","14.656","0.002","103.267","0.002","95.938","0.002","117.358","0.002","1143.8","0.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H36 O4 P2 Rh2 -","- C20 H36 O4 P2 Rh2 -","- C40 H72 O8 P4 Rh4 -","2","1","","Iturmendi, Amaia; Sanz Miguel, Pablo J.; Popoola, Saheed A.; Al-Saadi, Abdulaziz A; Iglesias, Manuel; Oro, Luis A.","Dimethylphosphinate bridged binuclear Rh(i) catalysts for the alkoxycarbonylation of aromatic C-H bonds.","Dalton transactions (Cambridge, England : 2003)","2016","45","42","16955","16965","10.1039/c6dt03010f","","","0.71073","MoKα","","0.0531","0.0393","","","0.0736","0.0862","","","","","","1.063","","","","has coordinates","188242","2020-10-21","18:00:00",""
"7040684","10.524","0.0014","15.865","0.002","19.108","0.003","90","","90","","90","","3190.3","0.8","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C31 H42 N2 O4 P Rh -","- C31 H42 N2 O4 P Rh -","- C124 H168 N8 O16 P4 Rh4 -","4","1","","Iturmendi, Amaia; Sanz Miguel, Pablo J.; Popoola, Saheed A.; Al-Saadi, Abdulaziz A; Iglesias, Manuel; Oro, Luis A.","Dimethylphosphinate bridged binuclear Rh(i) catalysts for the alkoxycarbonylation of aromatic C-H bonds.","Dalton transactions (Cambridge, England : 2003)","2016","45","42","16955","16965","10.1039/c6dt03010f","","","0.71073","MoKα","","0.0293","0.0256","","","0.0585","0.0602","","","","","","1.026","","","","has coordinates","188242","2020-10-21","18:00:00",""
"7040685","12.7954","0.0008","17.1516","0.001","16.083","0.001","90","","107.396","0.001","90","","3368.2","0.4","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C62 H88 Cl4 N4 O6 P2 Rh2 -","- C62 H88 Cl4 N4 O6 P2 Rh2 -","- C124 H176 Cl8 N8 O12 P4 Rh4 -","2","0.5","","Iturmendi, Amaia; Sanz Miguel, Pablo J.; Popoola, Saheed A.; Al-Saadi, Abdulaziz A; Iglesias, Manuel; Oro, Luis A.","Dimethylphosphinate bridged binuclear Rh(i) catalysts for the alkoxycarbonylation of aromatic C-H bonds.","Dalton transactions (Cambridge, England : 2003)","2016","45","42","16955","16965","10.1039/c6dt03010f","","","0.71073","MoKα","","0.0823","0.0451","","","0.0758","0.089","","","","","","1.024","","","","has coordinates","188242","2020-10-21","18:00:00",""
"7040686","19.9476","0.0011","9.3438","0.0005","20.4044","0.0011","90","","109.91","0.001","90","","3575.8","0.3","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C32 H38 O8 P4 Rh2 -","- C32 H38 O8 P4 Rh2 -","- C128 H152 O32 P16 Rh8 -","4","0.5","","Iturmendi, Amaia; Sanz Miguel, Pablo J.; Popoola, Saheed A.; Al-Saadi, Abdulaziz A; Iglesias, Manuel; Oro, Luis A.","Dimethylphosphinate bridged binuclear Rh(i) catalysts for the alkoxycarbonylation of aromatic C-H bonds.","Dalton transactions (Cambridge, England : 2003)","2016","45","42","16955","16965","10.1039/c6dt03010f","","","0.71073","MoKα","","0.0293","0.0234","","","0.0568","0.0595","","","","","","1.024","","","","has coordinates","188242","2020-10-21","18:00:00",""
"7040687","11.8073","0.0011","24.288","0.002","19.7882","0.0019","90","","103.905","0.002","90","","5508.5","0.9","173","","173","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C60 H50 F6 Ir N6 P -","- C60 H50 F6 Ir N6 P -","- C240 H200 F24 Ir4 N24 P4 -","4","1","","Rota Martir, Diego; Hedley, Gordon J.; Cordes, David B.; Slawin, Alexandra M. Z.; Escudero, Daniel; Jacquemin, Denis; Kosikova, Tamara; Philp, Douglas; Dawson, Daniel M.; Ashbrook, Sharon E.; Samuel, Ifor D. W.; Zysman-Colman, Eli","Exploring the self-assembly and energy transfer of dynamic supramolecular iridium-porphyrin systems.","Dalton transactions (Cambridge, England : 2003)","2016","45","43","17195","17205","10.1039/c6dt02619b","","","1.54187","CuKα","","0.0697","0.06","","","0.1724","0.1837","","","","","","1.026","","","","has coordinates","188173","2020-10-21","18:00:00",""
"7040688","10.986","0.006","20.26","0.012","22.532","0.012","90.852","0.018","95.52","0.018","90.267","0.012","4991","5","173","","173","","","","","","","","","7","P -1","-P 1","2","","","","- C107 H85 F6 Ir N10 P Zn -","- C107 H85 F6 Ir N10 P Zn -","- C214 H170 F12 Ir2 N20 P2 Zn2 -","2","1","","Rota Martir, Diego; Hedley, Gordon J.; Cordes, David B.; Slawin, Alexandra M. Z.; Escudero, Daniel; Jacquemin, Denis; Kosikova, Tamara; Philp, Douglas; Dawson, Daniel M.; Ashbrook, Sharon E.; Samuel, Ifor D. W.; Zysman-Colman, Eli","Exploring the self-assembly and energy transfer of dynamic supramolecular iridium-porphyrin systems.","Dalton transactions (Cambridge, England : 2003)","2016","45","43","17195","17205","10.1039/c6dt02619b","","","1.54187","CuKα","","0.3228","0.1904","","","0.4353","0.5484","","","","","","1.199","","","","has coordinates","188173","2020-10-21","18:00:00",""
"7040689","11.427","0.0012","33.261","0.004","37.861","0.004","90","","91.978","0.002","90","","14381","3","173","","173","","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C149 H107 Cl3 F6 Ir N14 P Zn2 -","- C149 H107 Cl3 F6 Ir N14 P Zn2 -","- C596 H428 Cl12 F24 Ir4 N56 P4 Zn8 -","4","1","","Rota Martir, Diego; Hedley, Gordon J.; Cordes, David B.; Slawin, Alexandra M. Z.; Escudero, Daniel; Jacquemin, Denis; Kosikova, Tamara; Philp, Douglas; Dawson, Daniel M.; Ashbrook, Sharon E.; Samuel, Ifor D. W.; Zysman-Colman, Eli","Exploring the self-assembly and energy transfer of dynamic supramolecular iridium-porphyrin systems.","Dalton transactions (Cambridge, England : 2003)","2016","45","43","17195","17205","10.1039/c6dt02619b","","","1.54187","CuKα","","0.1815","0.1051","","","0.2698","0.3451","","","","","","1.07","","","","has coordinates,has disorder","188173","2020-10-21","18:00:00",""
"7040690","11.8361","0.0013","19.8984","0.0018","22.685","0.003","90","","103.078","0.006","90","","5204.2","1","173","","173","","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C58 H60 F6 Ir N4 P -","- C58 H60 F6 Ir N4 P -","- C232 H240 F24 Ir4 N16 P4 -","4","0.5","","Rota Martir, Diego; Hedley, Gordon J.; Cordes, David B.; Slawin, Alexandra M. Z.; Escudero, Daniel; Jacquemin, Denis; Kosikova, Tamara; Philp, Douglas; Dawson, Daniel M.; Ashbrook, Sharon E.; Samuel, Ifor D. W.; Zysman-Colman, Eli","Exploring the self-assembly and energy transfer of dynamic supramolecular iridium-porphyrin systems.","Dalton transactions (Cambridge, England : 2003)","2016","45","43","17195","17205","10.1039/c6dt02619b","","","0.71075","MoKα","","0.0167","0.0151","","","0.0368","0.0376","","","","","","1.045","","","","has coordinates","188173","2020-10-21","18:00:00",""
"7040691","14.8095","0.0016","17.054","0.002","14.9092","0.0016","90","","90.0813","0.0016","90","","3765.5","0.7","173","","173","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C48 H38 N4 O Zn -","- C48 H38 N4 O Zn -","- C192 H152 N16 O4 Zn4 -","4","0.5","","Rota Martir, Diego; Hedley, Gordon J.; Cordes, David B.; Slawin, Alexandra M. Z.; Escudero, Daniel; Jacquemin, Denis; Kosikova, Tamara; Philp, Douglas; Dawson, Daniel M.; Ashbrook, Sharon E.; Samuel, Ifor D. W.; Zysman-Colman, Eli","Exploring the self-assembly and energy transfer of dynamic supramolecular iridium-porphyrin systems.","Dalton transactions (Cambridge, England : 2003)","2016","45","43","17195","17205","10.1039/c6dt02619b","","","1.54187","CuKα","","0.0309","0.0279","","","0.0793","0.0808","","","","","","1.064","","","","has coordinates","188173","2020-10-21","18:00:00",""
"7040692","9.3243","0.0004","30.8976","0.0015","11.4402","0.0005","90","","91.022","0.003","90","","3295.4","0.3","153","","153","","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C34 H33 F6 Fe N O P3 S -","- C34 H33 F6 Fe N O P3 S -","- C136 H132 F24 Fe4 N4 O4 P12 S4 -","4","1","","Nakae, Toyotaka; Hirotsu, Masakazu; Aono, Shigetoshi; Nakajima, Hiroshi","Visible-light-induced release of CO by thiolate iron(iii) carbonyl complexes bearing N,C,S-pincer ligands.","Dalton transactions (Cambridge, England : 2003)","2016","45","41","16153","16156","10.1039/c6dt03399g","","","0.710747","MoKα","","0.0644","0.0509","","","0.1164","0.1247","","","","","","1.051","","","","has coordinates","188151","2020-10-21","18:00:00",""
"7040693","9.4165","0.0006","31.156","0.002","11.4963","0.0008","90","","93.943","0.004","90","","3364.8","0.4","133","","133","","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C34 H34 F6 Fe N2 O P3 S -","- C34 H34 F6 Fe N2 O P3 S -","- C136 H136 F24 Fe4 N8 O4 P12 S4 -","4","1","","Nakae, Toyotaka; Hirotsu, Masakazu; Aono, Shigetoshi; Nakajima, Hiroshi","Visible-light-induced release of CO by thiolate iron(iii) carbonyl complexes bearing N,C,S-pincer ligands.","Dalton transactions (Cambridge, England : 2003)","2016","45","41","16153","16156","10.1039/c6dt03399g","","","0.710747","MoKα","","0.0928","0.0611","","","0.1159","0.1335","","","","","","1.07","","","","has coordinates","188151","2020-10-21","18:00:00",""
"7040694","11.202","0.002","27.791","0.006","13.818","0.003","90","","91.22","0.03","90","","4300.8","1.5","173","2","173","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C43 H49 Cl3 Cr N2 O1.5 P -","- C43 H49 Cl3 Cr N2 O1.5 P -","- C172 H196 Cl12 Cr4 N8 O6 P4 -","4","1","","Liu, Rui; Zhu, Kongtao; Zhong, Xianghong; Li, Jiancheng; Liu, Zhenyu; Chen, Shibing; Zhu, Hongping","Chromium complexes bearing amidinato-phosphino ligand: synthesis, characterization, and catalytic properties of ethylene tri-/tetramerization and polymerization.","Dalton transactions (Cambridge, England : 2003)","2016","45","42","17020","17029","10.1039/c6dt03216h","","","0.71073","MoKα","","0.1335","0.0867","","","0.2419","0.3211","","","","","","1.15","","","","has coordinates,has disorder","188239","2020-10-21","18:00:00",""
"7040695","9.3392","0.0002","24.0023","0.0005","13.7823","0.0003","90","","102.794","0.002","90","","3012.77","0.11","153","2","153","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C35 H41 N2 P -","- C35 H41 N2 P -","- C140 H164 N8 P4 -","4","1","","Liu, Rui; Zhu, Kongtao; Zhong, Xianghong; Li, Jiancheng; Liu, Zhenyu; Chen, Shibing; Zhu, Hongping","Chromium complexes bearing amidinato-phosphino ligand: synthesis, characterization, and catalytic properties of ethylene tri-/tetramerization and polymerization.","Dalton transactions (Cambridge, England : 2003)","2016","45","42","17020","17029","10.1039/c6dt03216h","","","0.71073","MoKα","","0.0622","0.0509","","","0.1199","0.1256","","","","","","1.019","","","","has coordinates","188239","2020-10-21","18:00:00",""
"7040696","10.6985","0.0005","14.2554","0.0009","17.7632","0.0011","69.811","0.006","84.682","0.004","86.826","0.005","2530.9","0.3","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C58.5 H60 Cl2 Cr N2 O P -","- C58.5 H60 Cl2 Cr N2 O P -","- C117 H120 Cl4 Cr2 N4 O2 P2 -","2","1","","Liu, Rui; Zhu, Kongtao; Zhong, Xianghong; Li, Jiancheng; Liu, Zhenyu; Chen, Shibing; Zhu, Hongping","Chromium complexes bearing amidinato-phosphino ligand: synthesis, characterization, and catalytic properties of ethylene tri-/tetramerization and polymerization.","Dalton transactions (Cambridge, England : 2003)","2016","45","42","17020","17029","10.1039/c6dt03216h","","","1.54178","CuKα","","0.0747","0.064","","","0.1714","0.1841","","","","","","1.044","","","","has coordinates","188239","2020-10-21","18:00:00",""
"7040697","33.421","0.002","13.0286","0.0008","23.9827","0.0015","90","","122.928","0.006","90","","8765.2","1.1","173","2","173","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C49 H56 Cl Cr N2 O0 P -","- C49 H56 Cl Cr N2 P -","- C392 H448 Cl8 Cr8 N16 P8 -","8","1","","Liu, Rui; Zhu, Kongtao; Zhong, Xianghong; Li, Jiancheng; Liu, Zhenyu; Chen, Shibing; Zhu, Hongping","Chromium complexes bearing amidinato-phosphino ligand: synthesis, characterization, and catalytic properties of ethylene tri-/tetramerization and polymerization.","Dalton transactions (Cambridge, England : 2003)","2016","45","42","17020","17029","10.1039/c6dt03216h","","","0.71073","MoKα","","0.108","0.0703","","","0.1494","0.1638","","","","","","1.054","","","","has coordinates","188239","2020-10-21","18:00:00",""
"7040698","15.402","0.003","11.1432","0.0019","17.153","0.003","90","","92.045","0.002","90","","2942.1","0.9","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C30 H48 N4 O2 -","- C30 H48 N4 O2 -","- C120 H192 N16 O8 -","4","1","","Mandal, Leena; Majumder, Samit; Mohanta, Sasankasekhar","Syntheses, crystal structures and steady state and time-resolved fluorescence properties of a PET based macrocycle and its dinuclear Zn(II)/Cd(II)/Hg(II) complexes.","Dalton transactions (Cambridge, England : 2003)","2016","45","43","17365","17381","10.1039/c6dt02631a","","","0.71073","MoKα","","0.0724","0.0531","","","0.161","0.1763","","","","","","1.019","","","","has coordinates,has disorder","188198","2020-10-21","18:00:00",""
"7040699","8.0099","0.0017","9.963","0.002","12.498","0.003","70.153","0.009","73.594","0.009","73.815","0.009","881.3","0.3","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C32 H54 Cl2 N4 O4 Zn2 -","- C32 H54 Cl2 N4 O4 Zn2 -","- C32 H54 Cl2 N4 O4 Zn2 -","1","0.5","","Mandal, Leena; Majumder, Samit; Mohanta, Sasankasekhar","Syntheses, crystal structures and steady state and time-resolved fluorescence properties of a PET based macrocycle and its dinuclear Zn(II)/Cd(II)/Hg(II) complexes.","Dalton transactions (Cambridge, England : 2003)","2016","45","43","17365","17381","10.1039/c6dt02631a","","","0.71073","MoKα","","0.0436","0.0352","","","0.1023","0.1132","","","","","","1.084","","","","has coordinates","188198","2020-10-21","18:00:00",""
"7040700","16.256","0.002","17.197","0.002","7.1761","0.001","90","","90","","90","","2006.1","0.4","296","2","296","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C30 H60 Cd2 N6 O15 -","- C30 H60 Cd2 N6 O15 -","- C60 H120 Cd4 N12 O30 -","2","0.5","","Mandal, Leena; Majumder, Samit; Mohanta, Sasankasekhar","Syntheses, crystal structures and steady state and time-resolved fluorescence properties of a PET based macrocycle and its dinuclear Zn(II)/Cd(II)/Hg(II) complexes.","Dalton transactions (Cambridge, England : 2003)","2016","45","43","17365","17381","10.1039/c6dt02631a","","","0.71073","MoKα","","0.0451","0.0312","","","0.0685","0.0736","","","","","","1.024","","","","has coordinates","188198","2020-10-21","18:00:00",""
"7040701","11.2137","0.0009","12.1962","0.001","12.5682","0.0011","92.415","0.004","99.929","0.004","106.487","0.004","1616","0.2","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C30 H46 Cl2 Hg2 N4 O2 -","- C30 H46 Cl2 Hg2 N4 O2 -","- C60 H92 Cl4 Hg4 N8 O4 -","2","1","","Mandal, Leena; Majumder, Samit; Mohanta, Sasankasekhar","Syntheses, crystal structures and steady state and time-resolved fluorescence properties of a PET based macrocycle and its dinuclear Zn(II)/Cd(II)/Hg(II) complexes.","Dalton transactions (Cambridge, England : 2003)","2016","45","43","17365","17381","10.1039/c6dt02631a","","","0.71073","MoKα","","0.0489","0.0369","","","0.1158","0.1358","","","","","","0.971","","","","has coordinates,has disorder","188198","2020-10-21","18:00:00",""
"7040702","18.3226","0.0005","18.8622","0.0005","19.5276","0.0005","89.548","0.002","63.745","0.001","61.757","0.001","5155.8","0.3","200","2","200","2","","","","","","","","6","P -1","-P 1","2","","","","- C64 H105 Cl5 Dy6 N12 O37 -","- C64 H105 Cl5 Dy6 N12 O37 -","- C128 H210 Cl10 Dy12 N24 O74 -","2","1","","Holmberg, Rebecca J.; Kuo, Che-Jung; Gabidullin, Bulat; Wang, Chia-Wei; Clérac, Rodolphe; Murugesu, Muralee; Lin, Po-Heng","A propeller-shaped μ4-carbonate hexanuclear dysprosium complex with a high energetic barrier to magnetisation relaxation.","Dalton transactions (Cambridge, England : 2003)","2016","45","42","16769","16773","10.1039/c6dt02873j","","","0.71073","MoKα","","0.1288","0.0709","","","0.1518","0.1834","","","","","","1.03","","","","has coordinates,has disorder","188234","2020-10-21","18:00:00",""
"7040703","14.084","0.002","15.641","0.002","17.663","0.003","116.156","0.007","90.164","0.008","90.169","0.008","3492.4","0.9","148","2","148","2","","","","","","","","6","P -1","-P 1","2","","","","- C76.5 H66 Cl5 Fe2 O0.5 P4 -","- C76.5 H66 Cl5 Fe2 O0.5 P4 -","- C153 H132 Cl10 Fe4 O P8 -","2","1","","Pranckevicius, Conor; Iovan, Diana A.; Stephan, Douglas W.","Three and four coordinate Fe carbodiphosphorane complexes.","Dalton transactions (Cambridge, England : 2003)","2016","45","42","16820","16825","10.1039/c6dt03453e","","","0.71073","MoKα","","0.0891","0.0716","","","0.1865","0.2074","","","","","","1.05","","","","has coordinates,has disorder","188241","2020-10-21","18:00:00",""
"7040704","11.3479","0.001","16.1979","0.0015","17.6503","0.0017","79.585","0.004","88.787","0.004","86.895","0.004","3186","0.5","149","2","149","2","","","","","","","","5","P -1","-P 1","2","","","","- C74 H60 Cl4 Fe2 P4 -","- C74 H60 Cl4 Fe2 P4 -","- C148 H120 Cl8 Fe4 P8 -","2","1","","Pranckevicius, Conor; Iovan, Diana A.; Stephan, Douglas W.","Three and four coordinate Fe carbodiphosphorane complexes.","Dalton transactions (Cambridge, England : 2003)","2016","45","42","16820","16825","10.1039/c6dt03453e","","","0.71073","MoKα","","0.036","0.027","","","0.0666","0.0715","","","","","","1.023","","","","has coordinates","188241","2020-10-21","18:00:00",""
"7040705","11.17","0.0011","23.928","0.002","17.1484","0.0016","90","","106.051","0.005","90","","4404.7","0.7","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C55 H52 Fe O P2 -","- C55 H52 Fe O P2 -","- C220 H208 Fe4 O4 P8 -","4","1","","Pranckevicius, Conor; Iovan, Diana A.; Stephan, Douglas W.","Three and four coordinate Fe carbodiphosphorane complexes.","Dalton transactions (Cambridge, England : 2003)","2016","45","42","16820","16825","10.1039/c6dt03453e","","","0.71073","MoKα","","0.1717","0.0795","","","0.158","0.1829","","","","","","1.022","","","","has coordinates","188241","2020-10-21","18:00:00",""
"7040706","11.2805","0.0011","19.2156","0.0016","21.726","0.002","90","","103.818","0.004","90","","4573.1","0.7","150","2","150","2","","","","","","","","9","P 1 21/n 1","-P 2yn","14","","","","- C44 H48 F3 Fe N O3 P2 S Si2 -","- C44 H48 F3 Fe N O3 P2 S Si2 -","- C176 H192 F12 Fe4 N4 O12 P8 S4 Si8 -","4","1","","Pranckevicius, Conor; Iovan, Diana A.; Stephan, Douglas W.","Three and four coordinate Fe carbodiphosphorane complexes.","Dalton transactions (Cambridge, England : 2003)","2016","45","42","16820","16825","10.1039/c6dt03453e","","","0.71073","MoKα","","0.0976","0.0604","","","0.1429","0.162","","","","","","1.031","","","","has coordinates","188241","2020-10-21","18:00:00",""
"7040707","7.645","0.003","8.842","0.003","10.324","0.002","104.02","0.02","94.76","0.02","100.91","0.03","658.7","0.4","293","2","293","2","","","","","","","","8","P -1","-P 1","2","","","","- C13 H6 B Cl F2 N4 O0 S -","- C13 H6 B Cl F2 N4 S -","- C26 H12 B2 Cl2 F4 N8 S2 -","2","1","","Wang, Xiaoqing; Liu, Qingsong; Qi, Fen; Li, Lin; Yu, Hai-Dong; Liu, Zhipeng; Huang, Wei","Benzothiazole-pyrimidine-based BODIPY analogues: promising luminophores with fluorescence sensing and imaging ability and asymmetrization-induced solid-state emission.","Dalton transactions (Cambridge, England : 2003)","2016","45","43","17274","17280","10.1039/c6dt03469a","","","1.54178","CuKα","","0.1778","0.0878","","","0.1943","0.2512","","","","","","0.915","","","","has coordinates","188172","2020-10-21","18:00:00",""
"7040708","4.7639","0.0007","11.7169","0.0019","12.608","0.002","83.834","0.014","86.891","0.013","87.7","0.013","698.24","0.19","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C14 H9 B F2 N4 O S -","- C14 H9 B F2 N4 O S -","- C28 H18 B2 F4 N8 O2 S2 -","2","1","","Wang, Xiaoqing; Liu, Qingsong; Qi, Fen; Li, Lin; Yu, Hai-Dong; Liu, Zhipeng; Huang, Wei","Benzothiazole-pyrimidine-based BODIPY analogues: promising luminophores with fluorescence sensing and imaging ability and asymmetrization-induced solid-state emission.","Dalton transactions (Cambridge, England : 2003)","2016","45","43","17274","17280","10.1039/c6dt03469a","","","1.54184","CuKα","","0.1479","0.085","","","0.1955","0.2286","","","","","","1.198","","","","has coordinates","188172","2020-10-21","18:00:00",""
"7040709","9.628","0.009","11.936","0.012","12.293","0.012","100.08","0.012","93.49","0.012","103.522","0.013","1345","2","298","2","298","2","","","","","","","","8","P -1","-P 1","2","","","","- C13 H6 B Cl F2 N4 O0 S -","- C13 H6 B Cl F2 N4 S -","- C52 H24 B4 Cl4 F8 N16 S4 -","4","2","","Wang, Xiaoqing; Liu, Qingsong; Qi, Fen; Li, Lin; Yu, Hai-Dong; Liu, Zhipeng; Huang, Wei","Benzothiazole-pyrimidine-based BODIPY analogues: promising luminophores with fluorescence sensing and imaging ability and asymmetrization-induced solid-state emission.","Dalton transactions (Cambridge, England : 2003)","2016","45","43","17274","17280","10.1039/c6dt03469a","","","0.71073","MoKα","","0.125","0.1018","","","0.2816","0.3009","","","","","","1.137","","","","has coordinates","188172","2020-10-21","18:00:00",""
"7040710","4.7955","0.0005","9.1763","0.0013","16.901","0.0017","100.887","0.01","93.936","0.009","103.046","0.011","706.66","0.15","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C14 H9 B F2 N4 O S -","- C14 H9 B F2 N4 O S -","- C28 H18 B2 F4 N8 O2 S2 -","2","1","","Wang, Xiaoqing; Liu, Qingsong; Qi, Fen; Li, Lin; Yu, Hai-Dong; Liu, Zhipeng; Huang, Wei","Benzothiazole-pyrimidine-based BODIPY analogues: promising luminophores with fluorescence sensing and imaging ability and asymmetrization-induced solid-state emission.","Dalton transactions (Cambridge, England : 2003)","2016","45","43","17274","17280","10.1039/c6dt03469a","","","1.54184","CuKα","","0.0986","0.06","","","0.1656","0.227","","","","","","0.687","","","","has coordinates","188172","2020-10-21","18:00:00",""
"7040711","7.1001","0.0006","41.434","0.003","11.4739","0.0007","90","","90","","90","","3375.5","0.4","293","2","293","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C19 H12 B F2 N5 O0 S -","- C19 H12 B F2 N5 S -","- C152 H96 B8 F16 N40 S8 -","8","1","","Wang, Xiaoqing; Liu, Qingsong; Qi, Fen; Li, Lin; Yu, Hai-Dong; Liu, Zhipeng; Huang, Wei","Benzothiazole-pyrimidine-based BODIPY analogues: promising luminophores with fluorescence sensing and imaging ability and asymmetrization-induced solid-state emission.","Dalton transactions (Cambridge, England : 2003)","2016","45","43","17274","17280","10.1039/c6dt03469a","","","1.54184","CuKα","","0.1622","0.0975","","","0.2071","0.2418","","","","","","1.104","","","","has coordinates","188172","2020-10-21","18:00:00",""
"7040712","9.9073","0.001","11.035","0.0015","11.0926","0.0011","103.584","0.01","95.854","0.009","113.279","0.011","1056.7","0.2","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C21 H18 B F2 N5 O S2 -","- C21 H18 B F2 N5 O S2 -","- C42 H36 B2 F4 N10 O2 S4 -","2","1","","Wang, Xiaoqing; Liu, Qingsong; Qi, Fen; Li, Lin; Yu, Hai-Dong; Liu, Zhipeng; Huang, Wei","Benzothiazole-pyrimidine-based BODIPY analogues: promising luminophores with fluorescence sensing and imaging ability and asymmetrization-induced solid-state emission.","Dalton transactions (Cambridge, England : 2003)","2016","45","43","17274","17280","10.1039/c6dt03469a","","","1.54184","CuKα","","0.0992","0.0563","","","0.1178","0.152","","","","","","1.024","","","","has coordinates","188172","2020-10-21","18:00:00",""
"7040713","9.1073","0.0008","22.539","0.002","7.3835","0.0005","90","","97.26","0.002","90","","1503.5","0.2","298","2","298","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C15 H12 B F2 N5 O0 S -","- C15 H12 B F2 N5 S -","- C60 H48 B4 F8 N20 S4 -","4","1","","Wang, Xiaoqing; Liu, Qingsong; Qi, Fen; Li, Lin; Yu, Hai-Dong; Liu, Zhipeng; Huang, Wei","Benzothiazole-pyrimidine-based BODIPY analogues: promising luminophores with fluorescence sensing and imaging ability and asymmetrization-induced solid-state emission.","Dalton transactions (Cambridge, England : 2003)","2016","45","43","17274","17280","10.1039/c6dt03469a","","","0.71073","MoKα","","0.1445","0.0957","","","0.2745","0.3028","","","","","","1.083","","","","has coordinates","188172","2020-10-21","18:00:00",""
"7040714","10.102","0.002","19.058","0.004","31.626","0.006","90","","90","","90","","6089","2","200","","200","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C37 H39 N -","- C37 H39 N -","- C296 H312 N8 -","8","1","","Bakkar, A.; Cobo, S.; Lafolet, F.; Boggio-Pasqua, M; Royal, G.; Saint Aman, E.","Self-assembled dimethyldihydropyrene-pyridyl substituted ligands with zinc(ii) meso-tetraphenylporphyrin via axial coordination.","Dalton transactions (Cambridge, England : 2003)","2016","45","41","16453","16462","10.1039/c6dt02975b","","x-ray","0.71073","MoKα","","0.1126","0.0751","","","0.1597","0.1818","","","","","","1.137","","","","has coordinates,has disorder","188146","2020-10-21","18:00:00",""
"7040715","40.799","0.009","8.793","0.002","23.324","0.005","90","","124.87","","90","","6865","3","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C35 H35.5 B Fe N9.5 P -","- C35 H35.5 B Fe N9.5 P -","- C280 H284 B8 Fe8 N76 P8 -","8","1","","Zheng, Chunyang; Xu, Juping; Wang, Feng; Tao, Jun; Li, Dongfeng","Spin crossover and reversible single-crystal to single-crystal transformation behaviour in two cyanide-bridged mixed-valence {FeFe} clusters.","Dalton transactions (Cambridge, England : 2003)","2016","45","43","17254","17263","10.1039/c6dt03436e","","","0.71073","MoKα","","0.0287","0.0264","","","0.0697","0.0713","","","","","","1.018","","","","has coordinates,has disorder","188175","2020-10-21","18:00:00",""
"7040716","12.923","0.0012","17.811","0.0017","16.1986","0.0015","90","","98.678","0.001","90","","3685.8","0.6","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C66 H70 B2 Cl2 Fe4 N26 O9 -","- C66 H70 B2 Cl2 Fe4 N26 O9 -","- C132 H140 B4 Cl4 Fe8 N52 O18 -","2","0.5","","Zheng, Chunyang; Xu, Juping; Wang, Feng; Tao, Jun; Li, Dongfeng","Spin crossover and reversible single-crystal to single-crystal transformation behaviour in two cyanide-bridged mixed-valence {FeFe} clusters.","Dalton transactions (Cambridge, England : 2003)","2016","45","43","17254","17263","10.1039/c6dt03436e","","","0.71073","MoKα","","0.0595","0.0368","","","0.0858","0.099","","","","","","1.047","","","","has coordinates,has disorder","188175","2020-10-21","18:00:00",""
"7040717","13.065","0.003","18.047","0.004","16.373","0.004","90","","99.063","0.003","90","","3812.3","1.5","296","2","296","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C66 H70 B2 Cl2 Fe4 N26 O9 -","- C66 H70 B2 Cl2 Fe4 N26 O9 -","- C132 H140 B4 Cl4 Fe8 N52 O18 -","2","0.5","","Zheng, Chunyang; Xu, Juping; Wang, Feng; Tao, Jun; Li, Dongfeng","Spin crossover and reversible single-crystal to single-crystal transformation behaviour in two cyanide-bridged mixed-valence {FeFe} clusters.","Dalton transactions (Cambridge, England : 2003)","2016","45","43","17254","17263","10.1039/c6dt03436e","","","0.71073","MoKα","","0.0952","0.0602","","","0.1518","0.198","","","","","","1.074","","","","has coordinates,has disorder","188175","2020-10-21","18:00:00",""
"7040718","12.82","0.003","17.772","0.004","16.154","0.004","90","","98.253","0.003","90","","3642.4","1.5","296","2","296","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C66 H68 B2 Cl2 Fe4 N26 O8 -","- C66 H68 B2 Cl2 Fe4 N26 O8 -","- C132 H136 B4 Cl4 Fe8 N52 O16 -","2","0.5","","Zheng, Chunyang; Xu, Juping; Wang, Feng; Tao, Jun; Li, Dongfeng","Spin crossover and reversible single-crystal to single-crystal transformation behaviour in two cyanide-bridged mixed-valence {FeFe} clusters.","Dalton transactions (Cambridge, England : 2003)","2016","45","43","17254","17263","10.1039/c6dt03436e","","","0.71073","MoKα","","0.0578","0.0409","","","0.0958","0.1037","","","","","","1.019","","","","has coordinates,has disorder","188175","2020-10-21","18:00:00",""
"7040719","12.903","0.003","18.05","0.004","16.372","0.004","90","","98.36","0.004","90","","3772.5","1.5","296","2","296","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C66 H68 B2 Cl2 Fe4 N26 O8 -","- C66 H68 B2 Cl2 Fe4 N26 O8 -","- C132 H136 B4 Cl4 Fe8 N52 O16 -","2","0.5","","Zheng, Chunyang; Xu, Juping; Wang, Feng; Tao, Jun; Li, Dongfeng","Spin crossover and reversible single-crystal to single-crystal transformation behaviour in two cyanide-bridged mixed-valence {FeFe} clusters.","Dalton transactions (Cambridge, England : 2003)","2016","45","43","17254","17263","10.1039/c6dt03436e","","","0.71073","MoKα","","0.0812","0.0612","","","0.153","0.1679","","","","","","1.003","","","","has coordinates,has disorder","188175","2020-10-21","18:00:00",""
"7040720","12.8","0.007","18.28","0.01","16.56","0.009","90","","98.274","0.008","90","","3834","4","400","2","400","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C66 H68 B2 Cl2 Fe4 N26 O8 -","- C66 H68 B2 Cl2 Fe4 N26 O8 -","- C132 H136 B4 Cl4 Fe8 N52 O16 -","2","0.5","","Zheng, Chunyang; Xu, Juping; Wang, Feng; Tao, Jun; Li, Dongfeng","Spin crossover and reversible single-crystal to single-crystal transformation behaviour in two cyanide-bridged mixed-valence {FeFe} clusters.","Dalton transactions (Cambridge, England : 2003)","2016","45","43","17254","17263","10.1039/c6dt03436e","","","0.71073","MoKα","","0.1242","0.0596","","","0.1529","0.2039","","","","","","1.002","","","","has coordinates,has disorder","188175","2020-10-21","18:00:00",""
"7040721","12.9229","0.0012","17.8121","0.0017","16.2091","0.0015","90","","98.72","0.001","90","","3687.9","0.6","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C66 H70 B2 Cl2 Fe4 N26 O9 -","- C66 H70 B2 Cl2 Fe4 N26 O9 -","- C132 H140 B4 Cl4 Fe8 N52 O18 -","2","0.5","","Zheng, Chunyang; Xu, Juping; Wang, Feng; Tao, Jun; Li, Dongfeng","Spin crossover and reversible single-crystal to single-crystal transformation behaviour in two cyanide-bridged mixed-valence {FeFe} clusters.","Dalton transactions (Cambridge, England : 2003)","2016","45","43","17254","17263","10.1039/c6dt03436e","","","0.71073","MoKα","","0.0523","0.0331","","","0.0754","0.0857","","","","","","1.029","","","","has coordinates,has disorder","188175","2020-10-21","18:00:00",""
"7040722","13.0316","0.0018","18.007","0.003","16.368","0.002","90","","99.188","0.002","90","","3791.6","0.9","296","2","296","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C66 H70 B2 Cl2 Fe4 N26 O9 -","- C66 H70 B2 Cl2 Fe4 N26 O9 -","- C132 H140 B4 Cl4 Fe8 N52 O18 -","2","0.5","","Zheng, Chunyang; Xu, Juping; Wang, Feng; Tao, Jun; Li, Dongfeng","Spin crossover and reversible single-crystal to single-crystal transformation behaviour in two cyanide-bridged mixed-valence {FeFe} clusters.","Dalton transactions (Cambridge, England : 2003)","2016","45","43","17254","17263","10.1039/c6dt03436e","","","0.71073","MoKα","","0.0591","0.0422","","","0.1154","0.1311","","","","","","1.021","","","","has coordinates,has disorder","188175","2020-10-21","18:00:00",""
"7040723","12.858","0.003","17.264","0.004","16.783","0.004","90","","109.315","0.004","90","","3515.8","1.4","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C63 H64 B2 Cl2 Fe4 N26 O9 -","- C63 H64 B2 Cl2 Fe4 N26 O9 -","- C126 H128 B4 Cl4 Fe8 N52 O18 -","2","0.5","","Zheng, Chunyang; Xu, Juping; Wang, Feng; Tao, Jun; Li, Dongfeng","Spin crossover and reversible single-crystal to single-crystal transformation behaviour in two cyanide-bridged mixed-valence {FeFe} clusters.","Dalton transactions (Cambridge, England : 2003)","2016","45","43","17254","17263","10.1039/c6dt03436e","","","0.71073","MoKα","","0.0949","0.0636","","","0.1522","0.1782","","","","","","1.079","","","","has coordinates,has disorder","188175","2020-10-21","18:00:00",""
"7040724","13.0293","0.0014","17.591","0.0019","16.8823","0.0018","90","","108.685","0.002","90","","3665.5","0.7","296","2","296","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C63 H64 B2 Cl2 Fe4 N26 O9 -","- C63 H64 B2 Cl2 Fe4 N26 O9 -","- C126 H128 B4 Cl4 Fe8 N52 O18 -","2","0.5","","Zheng, Chunyang; Xu, Juping; Wang, Feng; Tao, Jun; Li, Dongfeng","Spin crossover and reversible single-crystal to single-crystal transformation behaviour in two cyanide-bridged mixed-valence {FeFe} clusters.","Dalton transactions (Cambridge, England : 2003)","2016","45","43","17254","17263","10.1039/c6dt03436e","","","0.71073","MoKα","","0.0776","0.0441","","","0.1175","0.1378","","","","","","1.011","","","","has coordinates,has disorder","188175","2020-10-21","18:00:00",""
"7040725","12.6962","0.0011","17.2719","0.0015","16.5706","0.0015","90","","108.588","0.001","90","","3444.2","0.5","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C62 H60 B2 Cl2 Fe4 N26 O8 -","- C62 H60 B2 Cl2 Fe4 N26 O8 -","- C124 H120 B4 Cl4 Fe8 N52 O16 -","2","0.5","","Zheng, Chunyang; Xu, Juping; Wang, Feng; Tao, Jun; Li, Dongfeng","Spin crossover and reversible single-crystal to single-crystal transformation behaviour in two cyanide-bridged mixed-valence {FeFe} clusters.","Dalton transactions (Cambridge, England : 2003)","2016","45","43","17254","17263","10.1039/c6dt03436e","","","0.71073","MoKα","","0.0459","0.0354","","","0.0893","0.0956","","","","","","1.042","","","","has coordinates,has disorder","188175","2020-10-21","18:00:00",""
"7040726","12.9011","0.0017","17.554","0.002","16.696","0.002","90","","108.167","0.002","90","","3592.6","0.8","296","2","296","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C62 H60 B2 Cl2 Fe4 N26 O8 -","- C62 H60 B2 Cl2 Fe4 N26 O8 -","- C124 H120 B4 Cl4 Fe8 N52 O16 -","2","0.5","","Zheng, Chunyang; Xu, Juping; Wang, Feng; Tao, Jun; Li, Dongfeng","Spin crossover and reversible single-crystal to single-crystal transformation behaviour in two cyanide-bridged mixed-valence {FeFe} clusters.","Dalton transactions (Cambridge, England : 2003)","2016","45","43","17254","17263","10.1039/c6dt03436e","","","0.71073","MoKα","","0.049","0.038","","","0.1041","0.114","","","","","","1.069","","","","has coordinates,has disorder","188175","2020-10-21","18:00:00",""
"7040727","12.962","0.002","17.7","0.003","16.746","0.003","90","","107.707","0.003","90","","3660","1.1","370","2","370","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C62 H60 B2 Cl2 Fe4 N26 O8 -","- C62 H60 B2 Cl2 Fe4 N26 O8 -","- C124 H120 B4 Cl4 Fe8 N52 O16 -","2","0.5","","Zheng, Chunyang; Xu, Juping; Wang, Feng; Tao, Jun; Li, Dongfeng","Spin crossover and reversible single-crystal to single-crystal transformation behaviour in two cyanide-bridged mixed-valence {FeFe} clusters.","Dalton transactions (Cambridge, England : 2003)","2016","45","43","17254","17263","10.1039/c6dt03436e","","","0.71073","MoKα","","0.1144","0.0471","","","0.0878","0.1103","","","","","","0.974","","","","has coordinates,has disorder","188175","2020-10-21","18:00:00",""
"7040728","12.976","0.002","17.688","0.003","16.754","0.003","90","","107.769","0.003","90","","3661.9","1.1","400","2","400","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C62 H60 B2 Cl2 Fe4 N26 O8 -","- C62 H60 B2 Cl2 Fe4 N26 O8 -","- C124 H120 B4 Cl4 Fe8 N52 O16 -","2","0.5","","Zheng, Chunyang; Xu, Juping; Wang, Feng; Tao, Jun; Li, Dongfeng","Spin crossover and reversible single-crystal to single-crystal transformation behaviour in two cyanide-bridged mixed-valence {FeFe} clusters.","Dalton transactions (Cambridge, England : 2003)","2016","45","43","17254","17263","10.1039/c6dt03436e","","","0.71073","MoKα","","0.1252","0.0694","","","0.2109","0.3016","","","","","","1.031","","","","has coordinates,has disorder","188175","2020-10-21","18:00:00",""
"7040729","12.845","0.0011","17.4067","0.0015","16.5485","0.0014","90","","108.721","0.001","90","","3504.3","0.5","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C62 H64 B2 Cl2 Fe4 N26 O10 -","- C62 H64 B2 Cl2 Fe4 N26 O10 -","- C124 H128 B4 Cl4 Fe8 N52 O20 -","2","0.5","","Zheng, Chunyang; Xu, Juping; Wang, Feng; Tao, Jun; Li, Dongfeng","Spin crossover and reversible single-crystal to single-crystal transformation behaviour in two cyanide-bridged mixed-valence {FeFe} clusters.","Dalton transactions (Cambridge, England : 2003)","2016","45","43","17254","17263","10.1039/c6dt03436e","","","0.71073","MoKα","","0.0554","0.0372","","","0.0915","0.1016","","","","","","1.021","","","","has coordinates,has disorder","188175","2020-10-21","18:00:00",""
"7040730","12.9516","0.0012","17.5832","0.0016","16.714","0.0015","90","","108.429","0.001","90","","3611.1","0.6","296","2","296","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C62 H64 B2 Cl2 Fe4 N26 O10 -","- C62 H64 B2 Cl2 Fe4 N26 O10 -","- C124 H128 B4 Cl4 Fe8 N52 O20 -","2","0.5","","Zheng, Chunyang; Xu, Juping; Wang, Feng; Tao, Jun; Li, Dongfeng","Spin crossover and reversible single-crystal to single-crystal transformation behaviour in two cyanide-bridged mixed-valence {FeFe} clusters.","Dalton transactions (Cambridge, England : 2003)","2016","45","43","17254","17263","10.1039/c6dt03436e","","","0.71073","MoKα","","0.0586","0.0409","","","0.1093","0.1238","","","","","","1.048","","","","has coordinates,has disorder","188175","2020-10-21","18:00:00",""
"7040731","14.6069","0.0005","17.1511","0.0005","17.8766","0.0004","76.392","0.002","86.344","0.002","69.1391","0.0014","4066.5","0.2","150","2","150","2","","","","","","","","8","P -1","-P 1","2","","","","- C81 H60 Cl10 F3 N16 Ni4 O3 S -","- C81 H60 Cl10 F3 N16 Ni4 O3 S -","- C162 H120 Cl20 F6 N32 Ni8 O6 S2 -","2","1","","Tsou, Lien-Hung; Sigrist, Marc; Chiang, Ming-Hsi; Horng, Er-Chien; Chen, Chun-Hsien; Huang, Shou-Ling; Lee, Gene-Hsiang; Peng, Shie-Ming","Asymmetric tetranuclear nickel chains with unidirectionally ordered 2-(α-(5-phenyl)pyridylamino)-1,8-naphthyridine ligands.","Dalton transactions (Cambridge, England : 2003)","2016","45","43","17281","17289","10.1039/c6dt03223k","","","0.71073","MoKα","","0.1874","0.0969","","","0.2648","0.3369","","","","","","1.019","","","","has coordinates,has disorder","188193","2020-10-21","18:00:00",""
"7040732","14.6577","0.0009","35.883","0.002","17.1139","0.001","90","","91.75","0.002","90","","8997.1","0.9","293","2","293","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C86 H73 B2 Cl12 F8 N16 Ni4 -","- C86 H73 B2 Cl12 F8 N16 Ni4 -","- C344 H292 B8 Cl48 F32 N64 Ni16 -","4","1","","Tsou, Lien-Hung; Sigrist, Marc; Chiang, Ming-Hsi; Horng, Er-Chien; Chen, Chun-Hsien; Huang, Shou-Ling; Lee, Gene-Hsiang; Peng, Shie-Ming","Asymmetric tetranuclear nickel chains with unidirectionally ordered 2-(α-(5-phenyl)pyridylamino)-1,8-naphthyridine ligands.","Dalton transactions (Cambridge, England : 2003)","2016","45","43","17281","17289","10.1039/c6dt03223k","","","0.71073","MoKα","","0.2264","0.1185","","","0.2984","0.3467","","","","","","1.41","","","","has coordinates","188193","2020-10-21","18:00:00",""
"7040733","14.7684","0.0006","21.731","0.001","26.4842","0.0011","90","","99.361","0.002","90","","8386.4","0.6","150","2","150","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C84.5 H65 Cl8 N18 Ni4 O4 S2 -","- C84.5 H65 Cl8 N18 Ni4 O4 S2 -","- C338 H260 Cl32 N72 Ni16 O16 S8 -","4","1","","Tsou, Lien-Hung; Sigrist, Marc; Chiang, Ming-Hsi; Horng, Er-Chien; Chen, Chun-Hsien; Huang, Shou-Ling; Lee, Gene-Hsiang; Peng, Shie-Ming","Asymmetric tetranuclear nickel chains with unidirectionally ordered 2-(α-(5-phenyl)pyridylamino)-1,8-naphthyridine ligands.","Dalton transactions (Cambridge, England : 2003)","2016","45","43","17281","17289","10.1039/c6dt03223k","","","0.71073","MoKα","","0.1672","0.0791","","","0.2038","0.2496","","","","","","1.035","","","","has coordinates,has disorder","188193","2020-10-21","18:00:00",""
"7040734","14.4138","0.0004","37.036","0.0011","21.1405","0.0004","90","","95.6332","0.0016","90","","11230.9","0.5","150","2","150","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C88 H62 Cl24 F6 N18 Ni4 O7 S4 -","- C88 H62 Cl24 F6 N18 Ni4 O7 S4 -","- C352 H248 Cl96 F24 N72 Ni16 O28 S16 -","4","1","","Tsou, Lien-Hung; Sigrist, Marc; Chiang, Ming-Hsi; Horng, Er-Chien; Chen, Chun-Hsien; Huang, Shou-Ling; Lee, Gene-Hsiang; Peng, Shie-Ming","Asymmetric tetranuclear nickel chains with unidirectionally ordered 2-(α-(5-phenyl)pyridylamino)-1,8-naphthyridine ligands.","Dalton transactions (Cambridge, England : 2003)","2016","45","43","17281","17289","10.1039/c6dt03223k","","","0.71073","MoKα","","0.1762","0.0806","","","0.2016","0.2595","","","","","","1.038","","","","has coordinates,has disorder","188193","2020-10-21","18:00:00",""
"7040735","8.569","0.005","10.614","0.005","26.676","0.005","86.021","0.005","89.484","0.005","88.934","0.005","2419.9","1.9","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H26 Fe N4 O4 -","- C28 H26 Fe N4 O4 -","- C112 H104 Fe4 N16 O16 -","4","2","","Chakraborty, Amit; Goura, Joydeb; Bag, Prasenjit; Bar, Arun Kumar; Sutter, Jean-Pascal; Chandrasekhar, Vadapalli","Windmill-shaped octanuclear Zn/Ln (Ln(III) = Dy, Tb, Ho) heterometallic ensembles supported by a tetraferrocene scaffold.","Dalton transactions (Cambridge, England : 2003)","2016","45","44","17633","17643","10.1039/c6dt03144g","","","0.71073","MoKα","","0.0573","0.0398","","","0.0927","0.1012","","","","","","0.988","","","","has coordinates","190196","2020-10-21","18:00:00",""
"7040736","24.5002","0.0017","10.6328","0.0006","31.5213","0.0016","90","","94.362","0.003","90","","8187.7","0.8","100","2","100","2","","","","","","","","7","I 1 2/m 1","-I 2y","12","","","","- C120 H100 Dy4 Fe4 N16 O25 Zn4 -","- C120 H100 Dy4 Fe4 N16 O25 Zn4 -","- C240 H200 Dy8 Fe8 N32 O50 Zn8 -","2","0.25","","Chakraborty, Amit; Goura, Joydeb; Bag, Prasenjit; Bar, Arun Kumar; Sutter, Jean-Pascal; Chandrasekhar, Vadapalli","Windmill-shaped octanuclear Zn/Ln (Ln(III) = Dy, Tb, Ho) heterometallic ensembles supported by a tetraferrocene scaffold.","Dalton transactions (Cambridge, England : 2003)","2016","45","44","17633","17643","10.1039/c6dt03144g","","","0.71073","MoKα","","0.0882","0.0497","","","0.1325","0.1431","","","","","","0.995","","","","has coordinates","190196","2020-10-21","18:00:00",""
"7040737","24.618","0.004","10.6144","0.0014","31.379","0.004","90","","94.479","0.007","90","","8174","2","100","2","100","2","","","","","","","","7","I 1 2/m 1","-I 2y","12","","","","- C120 H106 Fe4 N16 O25 Tb4 Zn4 -","- C120 H106 Fe4 N16 O25 Tb4 Zn4 -","- C240 H212 Fe8 N32 O50 Tb8 Zn8 -","2","0.25","","Chakraborty, Amit; Goura, Joydeb; Bag, Prasenjit; Bar, Arun Kumar; Sutter, Jean-Pascal; Chandrasekhar, Vadapalli","Windmill-shaped octanuclear Zn/Ln (Ln(III) = Dy, Tb, Ho) heterometallic ensembles supported by a tetraferrocene scaffold.","Dalton transactions (Cambridge, England : 2003)","2016","45","44","17633","17643","10.1039/c6dt03144g","","","0.71073","MoKα","","0.0816","0.0459","","","0.1289","0.1371","","","","","","1.03","","","","has coordinates","190196","2020-10-21","18:00:00",""
"7040738","26.4024","0.0017","26.4024","0.0017","11.9689","0.001","90","","90","","90","","8343.4","1","100","2","100","2","","","","","","","","7","I 4/m","-I 4","87","","","","- C120 H112 Fe4 Ho4 N16 O25 Zn4 -","- C120 H112 Fe4 Ho4 N16 O25 Zn4 -","- C240 H224 Fe8 Ho8 N32 O50 Zn8 -","2","0.125","","Chakraborty, Amit; Goura, Joydeb; Bag, Prasenjit; Bar, Arun Kumar; Sutter, Jean-Pascal; Chandrasekhar, Vadapalli","Windmill-shaped octanuclear Zn/Ln (Ln(III) = Dy, Tb, Ho) heterometallic ensembles supported by a tetraferrocene scaffold.","Dalton transactions (Cambridge, England : 2003)","2016","45","44","17633","17643","10.1039/c6dt03144g","","","0.71073","MoKα","","0.1096","0.0634","","","0.1624","0.177","","","","","","1.002","","","","has coordinates","190196","2020-10-21","18:00:00",""
"7040739","16.5042","0.0007","9.3346","0.0004","32.7148","0.0014","90","","95.369","0.004","90","","5017.9","0.4","190","2","190","2","","","","","","","synthesis as described","6","I 1 2/a 1","-I 2ya","15","","","","- C21 H25 Cl2 N5 O9 Zn -","- C21 H25 Cl2 N5 O9 Zn -","- C168 H200 Cl16 N40 O72 Zn8 -","8","1","","Mendes, Luisa L.; Englert, Daniel; Fernandes, Christiane; Gahan, Lawrence R.; Schenk, Gerhard; Horn, Adolfo","Metallohydrolase biomimetics with catalytic and structural flexibility.","Dalton transactions (Cambridge, England : 2003)","2016","45","46","18510","18521","10.1039/c6dt03200a","","x-ray","0.71073","MoKα","","0.0446","0.0346","","","0.0785","0.0845","","","","","","1.035","","","","has coordinates","190113","2020-10-21","18:00:00",""
"7040740","13.721","0.0007","15.4894","0.0007","17.1435","0.0008","66.918","0.004","67.606","0.005","75.704","0.004","3078.6","0.3","293","2","293","2","","","","","","","synthesis as described","6","P -1","-P 1","2","","","","- C48 H55 Cl3 N10 O22 Zn4 -","- C48 H55 Cl3 N10 O22 Zn4 -","- C96 H110 Cl6 N20 O44 Zn8 -","2","1","","Mendes, Luisa L.; Englert, Daniel; Fernandes, Christiane; Gahan, Lawrence R.; Schenk, Gerhard; Horn, Adolfo","Metallohydrolase biomimetics with catalytic and structural flexibility.","Dalton transactions (Cambridge, England : 2003)","2016","45","46","18510","18521","10.1039/c6dt03200a","","x-ray","0.71073","MoKα","","0.1191","0.0689","","","0.1519","0.1788","","","","","","1.038","","","","has coordinates,has disorder","190113","2020-10-21","18:00:00",""
"7040741","8.8153","0.001","14.3078","0.0018","14.6939","0.0018","67.511","0.012","72.975","0.011","82.475","0.01","1636.9","0.4","190","2","190","2","","","","","","","synthesis as described","7","P -1","-P 1","2","","","","- C54 H54 Cl2 N14 O26 P2 Zn4 -","- C54 H54 Cl2 N14 O26 P2 Zn4 -","- C54 H54 Cl2 N14 O26 P2 Zn4 -","1","0.5","","Mendes, Luisa L.; Englert, Daniel; Fernandes, Christiane; Gahan, Lawrence R.; Schenk, Gerhard; Horn, Adolfo","Metallohydrolase biomimetics with catalytic and structural flexibility.","Dalton transactions (Cambridge, England : 2003)","2016","45","46","18510","18521","10.1039/c6dt03200a","","x-ray","0.71073","MoKα","","0.062","0.0435","","","0.0923","0.1007","","","","","","1.051","","","","has coordinates","190113","2020-10-21","18:00:00",""
"7040742","8.8606","0.0015","27.202","0.004","12.531","0.002","90","","110.027","0.006","90","","2837.7","0.8","193","2","193","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C31 H31 Cl N3 P -","- C31 H31 Cl N3 P -","- C124 H124 Cl4 N12 P4 -","4","1","","Sánchez, Práxedes; Hernández-Juárez, Martín; Álvarez, Eleuterio; Paneque, Margarita; Rendón, Nuria; Suárez, Andrés","Synthesis, structure and reactivity of Pd and Ir complexes based on new lutidine-derived NHC/phosphine mixed pincer ligands.","Dalton transactions (Cambridge, England : 2003)","2016","45","42","16997","17009","10.1039/c6dt03652j","","","0.71073","MoKα","","0.1966","0.0977","","","0.2374","0.2702","","","","","","1.009","","","","has coordinates,has disorder","188238","2020-10-21","18:00:00",""
"7040743","11.9582","0.0004","14.6903","0.0005","18.8464","0.0006","76.776","0.002","84.078","0.002","79.62","0.002","3163.56","0.18","193","2","193","2","","","","","","","","7","P -1","-P 1","2","","","","- C63 H62 Ag Cl7 N6 P2 Pd2 -","- C63 H62 Ag Cl7 N6 P2 Pd2 -","- C126 H124 Ag2 Cl14 N12 P4 Pd4 -","2","1","","Sánchez, Práxedes; Hernández-Juárez, Martín; Álvarez, Eleuterio; Paneque, Margarita; Rendón, Nuria; Suárez, Andrés","Synthesis, structure and reactivity of Pd and Ir complexes based on new lutidine-derived NHC/phosphine mixed pincer ligands.","Dalton transactions (Cambridge, England : 2003)","2016","45","42","16997","17009","10.1039/c6dt03652j","","","0.71073","MoKα","","0.0694","0.0541","","","0.1513","0.1596","","","","","","1.065","","","","has coordinates","188238","2020-10-21","18:00:00",""
"7040744","12.672","0.0003","15.6405","0.0003","18.3012","0.0003","102.591","0.001","90.394","0.001","100.262","0.001","3479.42","0.12","193","2","193","2","","","","","","","","8","P -1","-P 1","2","","","","- C71 H54 B Cl2 F24 Ir N3 P -","- C71 H54 B Cl2 F24 Ir N3 P -","- C142 H108 B2 Cl4 F48 Ir2 N6 P2 -","2","1","","Sánchez, Práxedes; Hernández-Juárez, Martín; Álvarez, Eleuterio; Paneque, Margarita; Rendón, Nuria; Suárez, Andrés","Synthesis, structure and reactivity of Pd and Ir complexes based on new lutidine-derived NHC/phosphine mixed pincer ligands.","Dalton transactions (Cambridge, England : 2003)","2016","45","42","16997","17009","10.1039/c6dt03652j","","","0.71073","MoKα","","0.0308","0.0287","","","0.0751","0.0762","","","","","","1.056","","","","has coordinates,has disorder","188238","2020-10-21","18:00:00",""
"7040745","11.7851","0.0006","14.3274","0.0007","41.473","0.002","90","","90","","90","","7002.7","0.6","193","2","193","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C33 H36 Cl5 Ir N3 P -","- C33 H36 Cl5 Ir N3 P -","- C264 H288 Cl40 Ir8 N24 P8 -","8","1","","Sánchez, Práxedes; Hernández-Juárez, Martín; Álvarez, Eleuterio; Paneque, Margarita; Rendón, Nuria; Suárez, Andrés","Synthesis, structure and reactivity of Pd and Ir complexes based on new lutidine-derived NHC/phosphine mixed pincer ligands.","Dalton transactions (Cambridge, England : 2003)","2016","45","42","16997","17009","10.1039/c6dt03652j","","","0.71073","MoKα","","0.0731","0.0711","","","0.1647","0.1653","","","","","","1.409","","","","has coordinates,has disorder","188238","2020-10-21","18:00:00",""
"7040746","14.8718","0.0008","15.1738","0.0007","15.3809","0.0008","60.525","0.002","73.084","0.003","69.854","0.002","2805.3","0.3","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C79 H94 Cl6 N36 Ni12 O19 -","- C79 H94 Cl6 N36 Ni12 O19 -","- C79 H94 Cl6 N36 Ni12 O19 -","1","0.5","","Efthymiou, Constantinos G.; Cunha-Silva, Luís; Perlepes, Spyros P.; Brechin, Euan K.; Inglis, Ross; Evangelisti, Marco; Papatriantafyllopoulou, Constantina","In search of molecules displaying ferromagnetic exchange: multiple-decker Ni12 and Ni16 complexes from the use of pyridine-2-amidoxime.","Dalton transactions (Cambridge, England : 2003)","2016","45","43","17409","17419","10.1039/c6dt03511f","","","0.71073","MoKα","","0.0822","0.0596","","","0.2006","0.221","","","","","","1.047","","","","has coordinates","188185","2020-10-21","18:00:00",""
"7040747","16.6742","0.0009","17.3665","0.0017","19.7073","0.001","106.175","0.003","113.293","0.002","99.202","0.004","4792.3","0.6","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C126 H228 N48 Ni16 O72 S4 -","- C126 H208 N48 Ni16 O72 S4 -","- C126 H208 N48 Ni16 O72 S4 -","1","0.5","","Efthymiou, Constantinos G.; Cunha-Silva, Luís; Perlepes, Spyros P.; Brechin, Euan K.; Inglis, Ross; Evangelisti, Marco; Papatriantafyllopoulou, Constantina","In search of molecules displaying ferromagnetic exchange: multiple-decker Ni12 and Ni16 complexes from the use of pyridine-2-amidoxime.","Dalton transactions (Cambridge, England : 2003)","2016","45","43","17409","17419","10.1039/c6dt03511f","","","0.71073","MoKα","","0.0721","0.0461","","","0.1148","0.1371","","","","","","1.138","","","","has coordinates,has disorder","188185","2020-10-21","18:00:00",""
"7040748","6.8884","0.0004","6.9907","0.0004","14.6692","0.001","98.926","0.005","95.975","0.005","92.474","0.005","692.78","0.07","180","2","180","2","","","","","","","","5","P -1","-P 1","2","","","","- C12 H16 Co N2 S2 -","- C12 H16 Co N2 S2 -","- C24 H32 Co2 N4 S4 -","2","1","","Eichhöfer, Andreas; Buth, Gernot","Polymeric cobalt(ii) thiolato complexes - syntheses, structures and properties of [Co(SMes)2] and [Co(SPh)2NH3].","Dalton transactions (Cambridge, England : 2003)","2016","45","43","17382","17391","10.1039/c6dt03098j","","","0.71073","MoKα","","0.082","0.0624","","","0.1575","0.1689","","","","","","1.093","","","","has coordinates","190197","2020-10-21","18:00:00",""
"7040749","25.923","0.005","6.9847","0.0014","7.2197","0.0014","90","","97.46","0.03","90","","1296.2","0.4","150","2","150","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C12 H13 Co N S2 -","- C12 H13 Co N S2 -","- C48 H52 Co4 N4 S8 -","4","1","","Eichhöfer, Andreas; Buth, Gernot","Polymeric cobalt(ii) thiolato complexes - syntheses, structures and properties of [Co(SMes)2] and [Co(SPh)2NH3].","Dalton transactions (Cambridge, England : 2003)","2016","45","43","17382","17391","10.1039/c6dt03098j","","","0.8","synchrotron","","0.0492","0.049","","","0.1306","0.1308","","","","","","1.051","","","","has coordinates","190197","2020-10-21","18:00:00",""
"7040750","16.7784","0.0008","16.7784","0.0008","6.8141","0.0005","90","","90","","90","","1918.27","0.19","180","2","180","2","","","","","","","","4","I 4/m","-I 4","87","","","","- C18 H22 Co S2 -","- C18 H22 Co S2 -","- C72 H88 Co4 S8 -","4","0.25","","Eichhöfer, Andreas; Buth, Gernot","Polymeric cobalt(ii) thiolato complexes - syntheses, structures and properties of [Co(SMes)2] and [Co(SPh)2NH3].","Dalton transactions (Cambridge, England : 2003)","2016","45","43","17382","17391","10.1039/c6dt03098j","","","0.71073","MoKα","","0.045","0.0374","","","0.0894","0.0925","","","","","","1.077","","","","has coordinates,has disorder","190197","2020-10-21","18:00:00",""
"7040751","3.9238","0.0011","15.66","0.005","7.824","0.002","90","","93.273","0.009","90","","480","0.2","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","4,4'-dibromo-2,2'-bipyridine","","- C10 H6 Br2 N2 -","- C10 H6 Br2 N2 -","- C20 H12 Br4 N4 -","2","0.5","","Suhr, Kristin J.; Bastatas, Lyndon D.; Shen, Yulong; Mitchell, Lauren A.; Frazier, Gary A.; Taylor, David W.; Slinker, Jason D.; Holliday, Bradley J.","Phenyl substitution of cationic bis-cyclometalated iridium(iii) complexes for iTMC-LEECs.","Dalton transactions (Cambridge, England : 2003)","2016","45","44","17807","17823","10.1039/c6dt03415b","","","0.71075","MoKα","","0.0528","0.0488","","","0.1305","0.1351","","","","","","1.101","","","","has coordinates","190195","2020-10-21","18:00:00",""
"7040752","13.704","0.002","24.497","0.004","12.597","0.002","90","","99.593","0.003","90","","4169.8","1.1","153","2","153","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","[(2,2'-bipyridine)-bis-(2,4-diphenylpyridine)-iridium(III)] hexafluorophosphate","","- C48 H42 F6 Ir N4 O P -","- C48 H42 F6 Ir N4 O P -","- C192 H168 F24 Ir4 N16 O4 P4 -","4","1","","Suhr, Kristin J.; Bastatas, Lyndon D.; Shen, Yulong; Mitchell, Lauren A.; Frazier, Gary A.; Taylor, David W.; Slinker, Jason D.; Holliday, Bradley J.","Phenyl substitution of cationic bis-cyclometalated iridium(iii) complexes for iTMC-LEECs.","Dalton transactions (Cambridge, England : 2003)","2016","45","44","17807","17823","10.1039/c6dt03415b","","","0.71075","MoKα","","0.078","0.0477","","","0.1001","0.1109","","","","","","1.08","","","","has coordinates,has disorder","190195","2020-10-21","18:00:00",""
"7040753","9.786","0.007","30.727","0.018","14.227","0.008","90","","119.2","0.03","90","","3734","4","153","2","153","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","[(4,4'-diphenyl-2,2'-bipyridine)-bis-(2-phenylpyridine)-iridium(III)] hexafluorophosphate","","- C44 H32 F6 Ir N4 P -","- C44 H32 F6 Ir N4 P -","- C176 H128 F24 Ir4 N16 P4 -","4","1","","Suhr, Kristin J.; Bastatas, Lyndon D.; Shen, Yulong; Mitchell, Lauren A.; Frazier, Gary A.; Taylor, David W.; Slinker, Jason D.; Holliday, Bradley J.","Phenyl substitution of cationic bis-cyclometalated iridium(iii) complexes for iTMC-LEECs.","Dalton transactions (Cambridge, England : 2003)","2016","45","44","17807","17823","10.1039/c6dt03415b","","","0.71075","MoKα","","0.0878","0.0614","","","0.1172","0.1311","","","","","","1.064","","","","has coordinates","190195","2020-10-21","18:00:00",""
"7040754","15.17","0.006","13.235","0.005","22.479","0.006","90","","126.298","0.017","90","","3637","2","153","2","153","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","[(2,2'-bipyridine)-bis-(2-[(1,1'-biphenyl)-3-yl]pyridine)-iridium(III)] hexafluorophosphate","","- C44 H32 F6 Ir N4 P -","- C44 H32 F6 Ir N4 P -","- C176 H128 F24 Ir4 N16 P4 -","4","1","","Suhr, Kristin J.; Bastatas, Lyndon D.; Shen, Yulong; Mitchell, Lauren A.; Frazier, Gary A.; Taylor, David W.; Slinker, Jason D.; Holliday, Bradley J.","Phenyl substitution of cationic bis-cyclometalated iridium(iii) complexes for iTMC-LEECs.","Dalton transactions (Cambridge, England : 2003)","2016","45","44","17807","17823","10.1039/c6dt03415b","","","0.71075","MoKα","","0.0485","0.0356","","","0.0684","0.0744","","","","","","1.107","","","","has coordinates","190195","2020-10-21","18:00:00",""
"7040755","18.052","0.008","12.858","0.006","26.756","0.009","90","","128.806","0.019","90","","4840","4","153","2","153","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","[(4,4'-diphenyl-2,2'-bipyridine)-bis-(2-[(1,1'-biphenyl)-3-yl]pyridine)-iridium(III)] hexafluorophosphate","","- C57 H42 Cl2 F6 Ir N4 P -","- C57 H42 Cl2 F6 Ir N4 P -","- C228 H168 Cl8 F24 Ir4 N16 P4 -","4","1","","Suhr, Kristin J.; Bastatas, Lyndon D.; Shen, Yulong; Mitchell, Lauren A.; Frazier, Gary A.; Taylor, David W.; Slinker, Jason D.; Holliday, Bradley J.","Phenyl substitution of cationic bis-cyclometalated iridium(iii) complexes for iTMC-LEECs.","Dalton transactions (Cambridge, England : 2003)","2016","45","44","17807","17823","10.1039/c6dt03415b","","","0.71075","MoKα","","0.0852","0.0539","","","0.122","0.1447","","","","","","1.065","","","","has coordinates","190195","2020-10-21","18:00:00",""
"7040756","12.7576","0.0006","31.8777","0.0015","25.0229","0.001","90","","106.076","0.002","90","","9778.4","0.8","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","[(4,4'-diphenyl-2,2'-bipyridine)-bis-(2,4-diphenylpyridine)-iridium(III)] hexafluorophosphate","","- C57 H42 Cl2 F6 Ir N4 P -","- C56 H40 F6 Ir N4 P -","- C448 H320 F48 Ir8 N32 P8 -","8","2","","Suhr, Kristin J.; Bastatas, Lyndon D.; Shen, Yulong; Mitchell, Lauren A.; Frazier, Gary A.; Taylor, David W.; Slinker, Jason D.; Holliday, Bradley J.","Phenyl substitution of cationic bis-cyclometalated iridium(iii) complexes for iTMC-LEECs.","Dalton transactions (Cambridge, England : 2003)","2016","45","44","17807","17823","10.1039/c6dt03415b","","","0.71075","MoKα","","0.093","0.0672","","","0.165","0.1806","","","","","","1.049","","","","has coordinates,has disorder","190195","2020-10-21","18:00:00",""
"7040757","10.856","0.0007","15.7756","0.0008","33.3846","0.0007","90","","90","","90","","5717.4","0.5","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","[(2,2'-bipyridine)-bis-(2-phenylpyridine)-iridium(III)] hexafluorophosphate","","- C32 H24 F6 Ir N4 P -","- C32 H24 F6 Ir N4 P -","- C256 H192 F48 Ir8 N32 P8 -","8","1","","Suhr, Kristin J.; Bastatas, Lyndon D.; Shen, Yulong; Mitchell, Lauren A.; Frazier, Gary A.; Taylor, David W.; Slinker, Jason D.; Holliday, Bradley J.","Phenyl substitution of cationic bis-cyclometalated iridium(iii) complexes for iTMC-LEECs.","Dalton transactions (Cambridge, England : 2003)","2016","45","44","17807","17823","10.1039/c6dt03415b","","","1.54184","CuKα","","0.0314","0.0247","","","0.0589","0.0628","","","","","","1.054","","","","has coordinates","190195","2020-10-21","18:00:00",""
"7040758","11.32","0.003","7.635","0.003","8.702","0.003","90","","129.88","0.02","90","","577.2","0.4","153.15","","153.15","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C4 H4 Cu2 N16 O2 -","- C4 H4 Cu2 N16 O2 -","- C8 H8 Cu4 N32 O4 -","2","0.25","","Chen, Sitong; Zhang, Bo; Yang, Li; Wang, Lin; Zhang, Tonglai","Synthesis, structure and characterization of neutral coordination polymers of 5,5'-bistetrazole with copper(ii), zinc(ii) and cadmium(ii): a new route to reconcile oxygen balance and nitrogen content of high-energy MOFs.","Dalton transactions (Cambridge, England : 2003)","2016","45","42","16779","16783","10.1039/c6dt02168a","","","0.71073","MoKα","","0.0303","0.0265","","","0.0606","0.0622","","","","","","1.141","","","","has coordinates","188229","2020-10-21","18:00:00",""
"7040759","10.821","0.002","10.476","0.002","7.7269","0.0015","90","","128.07","0.03","90","","689.6","0.4","153.15","","153.15","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C2 H4 N8 O2 Zn -","- C2 H4 N8 O2 Zn -","- C8 H16 N32 O8 Zn4 -","4","0.5","","Chen, Sitong; Zhang, Bo; Yang, Li; Wang, Lin; Zhang, Tonglai","Synthesis, structure and characterization of neutral coordination polymers of 5,5'-bistetrazole with copper(ii), zinc(ii) and cadmium(ii): a new route to reconcile oxygen balance and nitrogen content of high-energy MOFs.","Dalton transactions (Cambridge, England : 2003)","2016","45","42","16779","16783","10.1039/c6dt02168a","","","0.71073","MoKα","","0.03","0.026","","","0.0819","0.1254","","","","","","1.399","","","","has coordinates","188229","2020-10-21","18:00:00",""
"7040760","6.6516","0.0013","8.9436","0.0018","13.175","0.003","75.06","0.03","80.57","0.03","68.68","0.03","703.3","0.3","153.15","","153.15","","","","","","","","","5","P -1","-P 1","2","","","","- C4 H8 Cd2 N16 O4 -","- C4 H8 Cd2 N16 O4 -","- C8 H16 Cd4 N32 O8 -","2","1","","Chen, Sitong; Zhang, Bo; Yang, Li; Wang, Lin; Zhang, Tonglai","Synthesis, structure and characterization of neutral coordination polymers of 5,5'-bistetrazole with copper(ii), zinc(ii) and cadmium(ii): a new route to reconcile oxygen balance and nitrogen content of high-energy MOFs.","Dalton transactions (Cambridge, England : 2003)","2016","45","42","16779","16783","10.1039/c6dt02168a","","","0.71073","MoKα","","0.0346","0.0331","","","0.0917","0.0933","","","","","","1.141","","","","has coordinates","188229","2020-10-21","18:00:00",""
"7040761","9.38338","0.00015","14.6521","0.0004","17.9389","0.0005","84.324","0.002","88.241","0.0017","79.2307","0.0017","2410.85","0.1","285.1","0.1","285.1","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C60 H56 B Ir N4 P2 -","- C60 H56 B Ir N4 P2 -","- C120 H112 B2 Ir2 N8 P4 -","2","1","","Vaughan, Teresa F.; Spencer, John L.","Transition metal complexes of the pyridylphosphine ligand o-C6H4(CH2PPy2)2.","Dalton transactions (Cambridge, England : 2003)","2016","45","42","16826","16837","10.1039/c6dt02041k","","x-ray","1.54184","CuKα","","0.0318","0.0305","","","0.0798","0.0813","","","","","","1.042","","","","has coordinates","188230","2020-10-21","18:00:00",""
"7040762","14.479","0.0004","10.3594","0.0004","22.7769","0.0008","90","","89.905","0.003","90","","3416.4","0.2","120.01","0.1","120.01","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C31 H31 Cl5 N4 P2 Pt -","- C29 H27 Cl N4 P2 Pt -","- C116 H108 Cl4 N16 P8 Pt4 -","4","1","","Vaughan, Teresa F.; Spencer, John L.","Transition metal complexes of the pyridylphosphine ligand o-C6H4(CH2PPy2)2.","Dalton transactions (Cambridge, England : 2003)","2016","45","42","16826","16837","10.1039/c6dt02041k","","x-ray","0.71073","MoKα","","0.0642","0.051","","","0.1073","0.1152","","","","","","1.081","","","","has coordinates,has disorder","188230","2020-10-21","18:00:00",""
"7040763","14.43316","0.00019","10.2502","0.0002","22.5901","0.0005","90","","90.1316","0.0015","90","","3342.03","0.11","120.01","0.1","120.01","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C30 H28 Cl6 N4 P2 Pd -","- C28 H24 Cl2 N4 P2 Pd -","- C112 H96 Cl8 N16 P8 Pd4 -","4","1","","Vaughan, Teresa F.; Spencer, John L.","Transition metal complexes of the pyridylphosphine ligand o-C6H4(CH2PPy2)2.","Dalton transactions (Cambridge, England : 2003)","2016","45","42","16826","16837","10.1039/c6dt02041k","","","0.71073","MoKα","","0.0623","0.0538","","","0.1497","0.1566","","","","","","1.038","","","","has coordinates","188230","2020-10-21","18:00:00",""
"7040764","14.5058","0.0005","10.2019","0.0005","22.9424","0.0008","90","","91.017","0.003","90","","3394.6","0.2","120.01","0.1","120.01","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C29.5 H26.5 Cl6.5 N4 P2 Pt -","- C28 H24 Cl2 N4 P2 Pt -","- C112 H96 Cl8 N16 P8 Pt4 -","4","1","","Vaughan, Teresa F.; Spencer, John L.","Transition metal complexes of the pyridylphosphine ligand o-C6H4(CH2PPy2)2.","Dalton transactions (Cambridge, England : 2003)","2016","45","42","16826","16837","10.1039/c6dt02041k","","x-ray","0.7107","MoKα","","0.0305","0.025","","","0.0572","0.0596","","","","","","1.022","","","","has coordinates","188230","2020-10-21","18:00:00",""
"7040765","9.7882","0.0004","11.246","0.0005","14.7984","0.0006","88.786","0.004","79.599","0.004","74.904","0.004","1546.35","0.12","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C28 H33 Al B Cl5 N2 -","- C28 H33 Al B Cl5 N2 -","- C56 H66 Al2 B2 Cl10 N4 -","2","1","","Lawson, James R.; Wilkins, Lewis C.; André, Manon; Richards, Emma C.; Ali, Mohammed N.; Platts, James A.; Melen, Rebecca L.","Synthesis and reactivity of N,N'-1,4-diazabutadiene derived borocations.","Dalton transactions (Cambridge, England : 2003)","2016","45","41","16177","16181","10.1039/c6dt03360a","","","0.71073","MoKα","","0.0623","0.0451","","","0.1017","0.1168","","","","","","1.006","","","","has coordinates","188153","2020-10-21","18:00:00",""
"7040766","18.9942","0.0004","18.2174","0.0004","10.5733","0.0002","90","","90","","90","","3658.63","0.13","100","2","100","2","","","","","","","","6","P 21 21 2","P 2 2ab","18","","","","- C32 H41 Al B Cl5 N2 -","- C32 H41 Al B Cl5 N2 -","- C128 H164 Al4 B4 Cl20 N8 -","4","1","","Lawson, James R.; Wilkins, Lewis C.; André, Manon; Richards, Emma C.; Ali, Mohammed N.; Platts, James A.; Melen, Rebecca L.","Synthesis and reactivity of N,N'-1,4-diazabutadiene derived borocations.","Dalton transactions (Cambridge, England : 2003)","2016","45","41","16177","16181","10.1039/c6dt03360a","","","0.71073","MoKα","","0.0418","0.035","","","0.0811","0.0843","","","","","","1.023","","","","has coordinates","188153","2020-10-21","18:00:00",""
"7040767","21.5021","0.0005","12.4712","0.0003","22.7768","0.0007","90","","99.399","0.003","90","","6025.8","0.3","173","2","173","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C22 H28 Al B Cl6 N2 -","- C22 H28 Al B Cl6 N2 -","- C176 H224 Al8 B8 Cl48 N16 -","8","1","","Lawson, James R.; Wilkins, Lewis C.; André, Manon; Richards, Emma C.; Ali, Mohammed N.; Platts, James A.; Melen, Rebecca L.","Synthesis and reactivity of N,N'-1,4-diazabutadiene derived borocations.","Dalton transactions (Cambridge, England : 2003)","2016","45","41","16177","16181","10.1039/c6dt03360a","","","0.71075","MoKα","","0.0557","0.0467","","","0.1119","0.1166","","","","","","1.033","","","","has coordinates","188153","2020-10-21","18:00:00",""
"7040768","9.3458","0.0008","9.7583","0.0009","23.585","0.002","78.713","0.004","86.471","0.004","85.761","0.004","2101.1","0.3","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C41 H59 K Mn N3 O11 -","- C41 H59 K Mn N3 O11 -","- C82 H118 K2 Mn2 N6 O22 -","2","1","","Machan, Charles W.; Kubiak, Clifford P.","Electrocatalytic reduction of carbon dioxide with Mn(terpyridine) carbonyl complexes.","Dalton transactions (Cambridge, England : 2003)","2016","45","43","17179","17186","10.1039/c6dt03243e","","","0.71073","MoKα","","0.1099","0.0705","","","0.1735","0.2036","","","","","","1.0532","","","","has coordinates,has disorder","188182","2020-10-21","18:00:00",""
"7040769","7.8135","0.001","12.3648","0.0019","12.4862","0.0016","100.198","0.012","93.594","0.01","92.798","0.011","1182.7","0.3","100","2","100.15","","","","","","","","","4","P -1","-P 1","2","","","","- C33 H32 B N -","- C33 H32 B N -","- C66 H64 B2 N2 -","2","1","","Escande, A.; Crossley, D. L.; Cid, J.; Cade, I. A.; Vitorica-Yrezabal, I; Ingleson, M. J.","Inter- and intra-molecular C-H borylation for the formation of PAHs containing triarylborane and indole units.","Dalton transactions (Cambridge, England : 2003)","2016","45","43","17160","17167","10.1039/c6dt03526d","","x-ray","0.6889","","","0.1447","0.076","","","0.1567","0.1924","","","","","","0.989","","","","has coordinates","188192","2020-10-21","18:00:00",""
"7040770","15.75","0.01","16.11","0.02","14.9","0.01","90","","96.39","0.01","90","","3757","6","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C31 H54 N2 Pd S7 -","- C31 H54 N2 Pd S7 -","- C124 H216 N8 Pd4 S28 -","4","1","","Espa, D.; Pilia, L.; Marchiò, L; Artizzu, F.; Di Carlo, G.; Marinotto, D.; Serpe, A.; Tessore, F.; Deplano, P.","A nonlinear optical active polymer film based on Pd(ii) dithione/dithiolate second-order NLO chromophores.","Dalton transactions (Cambridge, England : 2003)","2016","45","43","17431","17438","10.1039/c6dt02911f","","","0.71073","MoKα","","0.2472","0.097","","","0.1802","0.2407","","","","","","1.002","","","","has coordinates","188199","2020-10-21","18:00:00",""
"7040771","8.5105","0.0006","22.2428","0.0016","14.5009","0.0011","90","","94.016","0.001","90","","2738.2","0.3","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C32 H26 Cu2 N6 -","- C32 H26 Cu2 N6 -","- C128 H104 Cu8 N24 -","4","1","","Cui, Jing-Wang; An, Wei-Jia; Van Hecke, Kristof; Cui, Guang-Hua","Two copper(i) cyanide coordination polymers modified by semi-rigid bis(benzimidazole) ligands: syntheses, crystal structures, and electrochemical and photocatalytic properties.","Dalton transactions (Cambridge, England : 2003)","2016","45","43","17474","17484","10.1039/c6dt03270b","","","0.71073","MoKα","","0.1011","0.0448","","","0.0948","0.1147","","","","","","1.007","","","","has coordinates,has disorder","188189","2020-10-21","18:00:00",""
"7040772","17.588","0.017","9.739","0.009","9.083","0.009","90","","96.704","0.015","90","","1545","3","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C34 H30 Cu2 N6 -","- C34 H30 Cu2 N6 -","- C68 H60 Cu4 N12 -","2","0.5","","Cui, Jing-Wang; An, Wei-Jia; Van Hecke, Kristof; Cui, Guang-Hua","Two copper(i) cyanide coordination polymers modified by semi-rigid bis(benzimidazole) ligands: syntheses, crystal structures, and electrochemical and photocatalytic properties.","Dalton transactions (Cambridge, England : 2003)","2016","45","43","17474","17484","10.1039/c6dt03270b","","","0.71073","MoKα","","0.1619","0.0594","","","0.0954","0.1147","","","","","","1.047","","","","has coordinates","188189","2020-10-21","18:00:00",""
"7040773","11.8667","0.001","34.63","0.003","18.1372","0.0015","90","","90.037","0.002","90","","7453.4","1.1","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C38 H36 Cl Ir N4 -","- C38 H36 Cl Ir N4 -","- C304 H288 Cl8 Ir8 N32 -","8","2","","Sansee, A.; Meksawangwong, S.; Chainok, K.; Franz, K. J.; Gál, M; Pålsson, L-O; Puniyan, W.; Traiphol, R.; Pal, R.; Kielar, F.","Novel aminoalkyl tris-cyclometalated iridium complexes as cellular stains.","Dalton transactions (Cambridge, England : 2003)","2016","45","43","17420","17430","10.1039/c6dt02776h","","x-ray","0.71073","MoKα","","0.0593","0.0373","","","0.0747","0.079","","","","","","1.043","","","","has coordinates","188171","2020-10-21","18:00:00",""
"7040774","16.848","0.004","15.524","0.004","27.236","0.006","90","","102.622","0.005","90","","6951","3","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C122 H123 Cl6 Cu4 N47 O25 -","- C122 H123 Cl6 Cu4 N47 O25 -","- C244 H246 Cl12 Cu8 N94 O50 -","2","0.5","","Sommer, Michael G.; Rechkemmer, Yvonne; Suntrup, Lisa; Hohloch, Stephan; van der Meer, Margarethe; van Slageren, Joris; Sarkar, Biprajit","Structural snapshots in the copper(ii) induced azide-nitrile cycloaddition: effects of peripheral ligand substituents on the formation of unsupported μ1,1-azido vs.μ1,4-tetrazolato bridged complexes.","Dalton transactions (Cambridge, England : 2003)","2016","45","44","17770","17781","10.1039/c6dt03073d","","","0.71073","MoKα","","0.0751","0.0541","","","0.1467","0.1632","","","","","","1.07","","","","has coordinates","190169","2020-10-21","18:00:00",""
"7040775","11.9577","0.0006","25.9892","0.0014","12.0161","0.0006","90","","91.07","0.003","90","","3733.6","0.3","110","2","110","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C66 H69 Cl2 Cu2 N29 O8 -","- C66 H69 Cl2 Cu2 N29 O8 -","- C132 H138 Cl4 Cu4 N58 O16 -","2","0.5","","Sommer, Michael G.; Rechkemmer, Yvonne; Suntrup, Lisa; Hohloch, Stephan; van der Meer, Margarethe; van Slageren, Joris; Sarkar, Biprajit","Structural snapshots in the copper(ii) induced azide-nitrile cycloaddition: effects of peripheral ligand substituents on the formation of unsupported μ1,1-azido vs.μ1,4-tetrazolato bridged complexes.","Dalton transactions (Cambridge, England : 2003)","2016","45","44","17770","17781","10.1039/c6dt03073d","","","0.71073","MoKα","","0.0578","0.0435","","","0.1173","0.1278","","","","","","1.046","","","","has coordinates","190169","2020-10-21","18:00:00",""
"7040776","7.762","0.003","9.934","0.004","21.094","0.007","81.671","0.007","80.955","0.007","87.227","0.007","1588.8","1","140","2","140","2","","","","","","","","6","P -1","-P 1","2","","","","- C29 H27 Cl Cu N14 O4 -","- C29 H27 Cl Cu N14 O4 -","- C58 H54 Cl2 Cu2 N28 O8 -","2","1","","Sommer, Michael G.; Rechkemmer, Yvonne; Suntrup, Lisa; Hohloch, Stephan; van der Meer, Margarethe; van Slageren, Joris; Sarkar, Biprajit","Structural snapshots in the copper(ii) induced azide-nitrile cycloaddition: effects of peripheral ligand substituents on the formation of unsupported μ1,1-azido vs.μ1,4-tetrazolato bridged complexes.","Dalton transactions (Cambridge, England : 2003)","2016","45","44","17770","17781","10.1039/c6dt03073d","","","0.71073","MoKα","","0.1058","0.0555","","","0.117","0.1412","","","","","","1.037","","","","has coordinates","190169","2020-10-21","18:00:00",""
"7040777","22.312","0.005","16.019","0.005","13.436","0.005","90","0.005","100.679","0.005","90","0.005","4719","3","140","2","140","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C45 H60 Cl Cu N13 O4 -","- C45 H60 Cl Cu N13 O4 -","- C180 H240 Cl4 Cu4 N52 O16 -","4","1","","Sommer, Michael G.; Rechkemmer, Yvonne; Suntrup, Lisa; Hohloch, Stephan; van der Meer, Margarethe; van Slageren, Joris; Sarkar, Biprajit","Structural snapshots in the copper(ii) induced azide-nitrile cycloaddition: effects of peripheral ligand substituents on the formation of unsupported μ1,1-azido vs.μ1,4-tetrazolato bridged complexes.","Dalton transactions (Cambridge, England : 2003)","2016","45","44","17770","17781","10.1039/c6dt03073d","","","0.71069","MoKα","","0.1151","0.0654","","","0.1529","0.2088","","","","","","1.151","","","","has coordinates,has disorder","190169","2020-10-21","18:00:00",""
"7040778","20.6306","0.0014","23.3947","0.0016","26.1819","0.0017","90","","90","","90","","12636.6","1.5","118","2","118","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C55 H80 Cl2 Cu N12 O9 -","- C55 H80 Cl2 Cu N12 O9 -","- C440 H640 Cl16 Cu8 N96 O72 -","8","1","","Sommer, Michael G.; Rechkemmer, Yvonne; Suntrup, Lisa; Hohloch, Stephan; van der Meer, Margarethe; van Slageren, Joris; Sarkar, Biprajit","Structural snapshots in the copper(ii) induced azide-nitrile cycloaddition: effects of peripheral ligand substituents on the formation of unsupported μ1,1-azido vs.μ1,4-tetrazolato bridged complexes.","Dalton transactions (Cambridge, England : 2003)","2016","45","44","17770","17781","10.1039/c6dt03073d","","","0.71073","MoKα","","0.0775","0.0544","","","0.1318","0.1464","","","","","","0.991","","","","has coordinates,has disorder","190169","2020-10-21","18:00:00",""
"7040779","16.768","0.004","18.962","0.004","19.579","0.005","93.974","0.006","99.507","0.005","93.995","0.006","6104","2","140","2","140","2","","","","","","","","6","P -1","-P 1","2","","","","- C96 H129 Cl3 Cu2 N26 O12 -","- C96 H129 Cl3 Cu2 N26 O12 -","- C192 H258 Cl6 Cu4 N52 O24 -","2","1","","Sommer, Michael G.; Rechkemmer, Yvonne; Suntrup, Lisa; Hohloch, Stephan; van der Meer, Margarethe; van Slageren, Joris; Sarkar, Biprajit","Structural snapshots in the copper(ii) induced azide-nitrile cycloaddition: effects of peripheral ligand substituents on the formation of unsupported μ1,1-azido vs.μ1,4-tetrazolato bridged complexes.","Dalton transactions (Cambridge, England : 2003)","2016","45","44","17770","17781","10.1039/c6dt03073d","","","0.71073","MoKα","","0.0771","0.0564","","","0.1578","0.1812","","","","","","1.006","","","","has coordinates,has disorder","190169","2020-10-21","18:00:00",""
"7040780","15.773","0.0007","16.4587","0.0007","26.4401","0.0012","88.921","0.002","89.865","0.002","71.279","0.002","6499.6","0.5","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C201 H275 Cl6 Cu4 N53 O24 -","- C201 H275 Cl6 Cu4 N53 O24 -","- C201 H275 Cl6 Cu4 N53 O24 -","1","0.5","","Sommer, Michael G.; Rechkemmer, Yvonne; Suntrup, Lisa; Hohloch, Stephan; van der Meer, Margarethe; van Slageren, Joris; Sarkar, Biprajit","Structural snapshots in the copper(ii) induced azide-nitrile cycloaddition: effects of peripheral ligand substituents on the formation of unsupported μ1,1-azido vs.μ1,4-tetrazolato bridged complexes.","Dalton transactions (Cambridge, England : 2003)","2016","45","44","17770","17781","10.1039/c6dt03073d","","","1.54178","CuKα","","0.09","0.0739","","","0.2178","0.2336","","","","","","1.047","","","","has coordinates,has disorder","190169","2020-10-21","18:00:00",""
"7040781","10.3323","","10.3323","","10.3323","","90","","90","","90","","1103.04","","298","","298","","","","","","","","","6","F m -3 m","-F 4 2 3","225","","","","- C4.69 Co Fe0.78 N4.69 Na0.46 O1.31 -","- C4.686 Co0.9998 Fe0.781 N4.686 Na0.4608 O1.314 -","- C18.744 Co3.9992 Fe3.124 N18.744 Na1.8432 O5.256 -","4","0.0208333","","Ohmagari, Hitomi; Ohtani, Ryo; Nakaya, Manabu; Ohba, Masaaki; Nakamura, Masaaki; Lindoy, Leonard F.; Sato, Osamu; Hayami, Shinya","Water-dependent charge-transfer-induced spin transition of Prussian blue analogues.","Dalton transactions (Cambridge, England : 2003)","2016","45","42","16784","16788","10.1039/c6dt03474h","","","0.71069","MoKα","","0.0529","0.0402","","","0.1333","0.1473","","","","","","1.324","","","","has coordinates","188246","2020-10-21","18:00:00",""
"7040782","12.7803","0.0003","15.1583","0.0004","23.8968","0.0006","100.103","0.002","100.29","0.002","91.496","0.002","4476.5","0.2","120","1","120","1","","","","","","","","7","P -1","-P 1","2","","","","- C116 H184 B10 Cl20 Cu14 F40 N48 -","- C116 H184 B10 Cl20 Cu14 F40 N48 -","- C116 H184 B10 Cl20 Cu14 F40 N48 -","1","0.5","","Krämer, Christoph; Leingang, Simone; Hübner, Olaf; Kaifer, Elisabeth; Wadepohl, Hubert; Himmel, Hans-Jörg","Construction of copper chains with new fluorescent guanidino-functionalized naphthyridine ligands.","Dalton transactions (Cambridge, England : 2003)","2016","45","42","16966","16983","10.1039/c6dt03166h","","x-ray","0.71073","MoKα","","0.0689","0.0486","","","0.1096","0.1191","","","","","","1.021","","","","has coordinates","188225","2020-10-21","18:00:00",""
"7040783","9.36083","0.00019","10.8067","0.0002","13.0128","0.0002","88.2314","0.0016","81.4762","0.0016","82.3836","0.0017","1290.26","0.04","120","1","120","1","","","","","","","","7","P -1","-P 1","2","","","","- C36 H56 B2 Cl4 Cu6 F8 N16 -","- C36 H56 B2 Cl4 Cu6 F8 N16 -","- C36 H56 B2 Cl4 Cu6 F8 N16 -","1","0.5","","Krämer, Christoph; Leingang, Simone; Hübner, Olaf; Kaifer, Elisabeth; Wadepohl, Hubert; Himmel, Hans-Jörg","Construction of copper chains with new fluorescent guanidino-functionalized naphthyridine ligands.","Dalton transactions (Cambridge, England : 2003)","2016","45","42","16966","16983","10.1039/c6dt03166h","","x-ray","1.54184","CuKα","","0.0319","0.0306","","","0.0918","0.0927","","","","","","1.118","","","","has coordinates,has disorder","188225","2020-10-21","18:00:00",""
"7040784","23.191","0.005","14.615","0.003","16.702","0.003","90","","126.5","0.03","90","","4551","2","100","","100","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C25.6 H41.6 Cl12.8 N8 -","- C25.6 H41.6 Cl12.8 N8 -","- C102.4 H166.4 Cl51.2 N32 -","4","0.5","","Krämer, Christoph; Leingang, Simone; Hübner, Olaf; Kaifer, Elisabeth; Wadepohl, Hubert; Himmel, Hans-Jörg","Construction of copper chains with new fluorescent guanidino-functionalized naphthyridine ligands.","Dalton transactions (Cambridge, England : 2003)","2016","45","42","16966","16983","10.1039/c6dt03166h","","","0.71073","MoKα","","0.0961","0.0629","","","0.1906","0.2151","","","","","","1.035","","","","has coordinates,has disorder","188225","2020-10-21","18:00:00",""
"7040785","9.439","0.0019","17.862","0.004","15.593","0.003","90","","103.57","0.03","90","","2555.6","1","100","","100","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C38 H60 Br3 Cl4 Cu3 N16 -","- C38 H60 Br3 Cl4 Cu3 N16 -","- C76 H120 Br6 Cl8 Cu6 N32 -","2","0.5","","Krämer, Christoph; Leingang, Simone; Hübner, Olaf; Kaifer, Elisabeth; Wadepohl, Hubert; Himmel, Hans-Jörg","Construction of copper chains with new fluorescent guanidino-functionalized naphthyridine ligands.","Dalton transactions (Cambridge, England : 2003)","2016","45","42","16966","16983","10.1039/c6dt03166h","","","0.71073","MoKα","","0.0693","0.043","","","0.1037","0.116","","","","","","1.029","","","","has coordinates,has disorder","188225","2020-10-21","18:00:00",""
"7040786","12.567","0.003","9.418","0.0019","15.448","0.003","90","","98.81","0.03","90","","1806.8","0.7","100","","100","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C18 H24 N8 -","- C18 H24 N8 -","- C72 H96 N32 -","4","1","","Krämer, Christoph; Leingang, Simone; Hübner, Olaf; Kaifer, Elisabeth; Wadepohl, Hubert; Himmel, Hans-Jörg","Construction of copper chains with new fluorescent guanidino-functionalized naphthyridine ligands.","Dalton transactions (Cambridge, England : 2003)","2016","45","42","16966","16983","10.1039/c6dt03166h","","","0.71073","MoKα","","0.0801","0.0534","","","0.1335","0.1488","","","","","","1.051","","","","has coordinates","188225","2020-10-21","18:00:00",""
"7040787","8.322","0.0017","12.133","0.002","16.453","0.003","108.68","0.03","100.32","0.03","92.76","0.03","1538.3","0.6","100","","100","","","","","","","","","7","P -1","-P 1","2","","","","- C42 H66 B4 Cl4 Cu4 F16 N18 -","- C42 H66 B4 Cl4 Cu4 F16 N18 -","- C42 H66 B4 Cl4 Cu4 F16 N18 -","1","0.5","","Krämer, Christoph; Leingang, Simone; Hübner, Olaf; Kaifer, Elisabeth; Wadepohl, Hubert; Himmel, Hans-Jörg","Construction of copper chains with new fluorescent guanidino-functionalized naphthyridine ligands.","Dalton transactions (Cambridge, England : 2003)","2016","45","42","16966","16983","10.1039/c6dt03166h","","","0.71073","MoKα","","0.0569","0.0397","","","0.0973","0.1056","","","","","","1.033","","","","has coordinates","188225","2020-10-21","18:00:00",""
"7040788","14.331","0.003","28.599","0.006","17.554","0.004","90","","111.43","0.03","90","","6697","3","100","","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C38 H59 Cu3 I13 N17 -","- C38 H59 Cu3 I13 N17 -","- C152 H236 Cu12 I52 N68 -","4","1","","Krämer, Christoph; Leingang, Simone; Hübner, Olaf; Kaifer, Elisabeth; Wadepohl, Hubert; Himmel, Hans-Jörg","Construction of copper chains with new fluorescent guanidino-functionalized naphthyridine ligands.","Dalton transactions (Cambridge, England : 2003)","2016","45","42","16966","16983","10.1039/c6dt03166h","","","0.71073","MoKα","","0.1588","0.0548","","","0.0766","0.0994","","","","","","1.017","","","","has coordinates","188225","2020-10-21","18:00:00",""
"7040789","16.074","0.003","16.837","0.003","18.684","0.004","93.06","0.03","112.92","0.03","108.97","0.03","4309","2","100","","100","","","","","","","","","7","P -1","-P 1","2","","","","- C67.6 H99.4 B4 Co Cu3 F16 N25.8 -","- C67.6 H99.4 B4 Co Cu3 F16 N25.8 -","- C135.2 H198.8 B8 Co2 Cu6 F32 N51.6 -","2","1","","Krämer, Christoph; Leingang, Simone; Hübner, Olaf; Kaifer, Elisabeth; Wadepohl, Hubert; Himmel, Hans-Jörg","Construction of copper chains with new fluorescent guanidino-functionalized naphthyridine ligands.","Dalton transactions (Cambridge, England : 2003)","2016","45","42","16966","16983","10.1039/c6dt03166h","","","0.71073","MoKα","","0.1408","0.0628","","","0.1338","0.1559","","","","","","0.946","","","","has coordinates,has disorder","188225","2020-10-21","18:00:00",""
"7040790","12.124","0.002","13.969","0.003","14.043","0.003","90","","95.19","0.03","90","","2368.6","0.8","100","","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C36 H48 B4 Cu4 F16 N16 -","- C36 H48 B4 Cu4 F16 N16 -","- C72 H96 B8 Cu8 F32 N32 -","2","0.5","","Krämer, Christoph; Leingang, Simone; Hübner, Olaf; Kaifer, Elisabeth; Wadepohl, Hubert; Himmel, Hans-Jörg","Construction of copper chains with new fluorescent guanidino-functionalized naphthyridine ligands.","Dalton transactions (Cambridge, England : 2003)","2016","45","42","16966","16983","10.1039/c6dt03166h","","","0.71073","MoKα","","0.0758","0.0393","","","0.0803","0.0923","","","","","","1.013","","","","has coordinates","188225","2020-10-21","18:00:00",""
"7040791","12.442","0.003","11.747","0.002","13.211","0.003","90","","97.68","0.03","90","","1913.5","0.7","100","","100","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C18 H28 N8 -","- C18 H28 N8 -","- C72 H112 N32 -","4","1","","Krämer, Christoph; Leingang, Simone; Hübner, Olaf; Kaifer, Elisabeth; Wadepohl, Hubert; Himmel, Hans-Jörg","Construction of copper chains with new fluorescent guanidino-functionalized naphthyridine ligands.","Dalton transactions (Cambridge, England : 2003)","2016","45","42","16966","16983","10.1039/c6dt03166h","","","0.71073","MoKα","","0.0705","0.0442","","","0.1187","0.1379","","","","","","1.04","","","","has coordinates","188225","2020-10-21","18:00:00",""
"7040792","13.7513","0.001","16.025","0.002","17.1415","0.0012","109.054","0.001","110.985","0.001","96.809","0.001","3212.8","0.5","203","2","203","2","","","","","","","","8","P -1","-P 1","2","","","","- C65 H67 Au2 F3 N2 O5 P2 S -","- C65 H67 Au2 F3 N2 O5 P2 S -","- C130 H134 Au4 F6 N4 O10 P4 S2 -","2","1","","Wang, Jiwei; Lv, Shichang; Chen, Haifeng; Shi, Min; Zhang, Jun","Isolation and characterization of gem-diaurated species having two C-Au σ bonds in gold(i)-activated amidiniumation of alkynes.","Dalton transactions (Cambridge, England : 2003)","2016","45","43","17091","17094","10.1039/c6dt03475f","","","0.71073","MoKα","","0.054","0.0388","","","0.1113","0.1283","","","","","","1.084","","","","has coordinates","188174","2020-10-21","18:00:00",""
"7040793","11.7879","0.0007","15.2593","0.0016","12.5982","0.0008","90","","94.897","0.007","90","","2257.8","0.3","150","0.2","150","0.2","","","","","","","no","6","P 1 21/n 1","-P 2yn","14","no","(indigo-O,O)chloro(pentamethylcyclopentadienyl)chromium","","- C26 H25 Cl Cr N2 O2 -","- C26 H25 Cl Cr N2 O2 -","- C104 H100 Cl4 Cr4 N8 O8 -","4","1","","Konarev, Dmitri V.; Khasanov, Salavat S.; Kuzmin, Aleksey V.; Shestakov, Alexander F.; Otsuka, Akihiro; Yamochi, Hideki; Saito, Gunzi; Lyubovskaya, Rimma N.","cis-Conformation of indigo in the coordination complex (indigo-O,O)(Cp*Cr(II)Cl).","Dalton transactions (Cambridge, England : 2003)","2016","45","43","17095","17099","10.1039/c6dt03545k","","x-ray","0.71073","MoKα","","0.1063","0.0548","","","0.1194","0.1442","","","","","","1.023","","","","has coordinates","188176","2020-10-21","18:00:00",""
"7040794","5.1849","0.0014","7.2517","0.0016","8.875","0.003","90","","100.857","0.005","90","","327.72","0.16","173","","173","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C4 H6 Cu O6 -","- C4 H6 Cu O6 -","- C8 H12 Cu2 O12 -","2","0.5","","Yoneyama, Shota; Kodama, Takeshi; Kikuchi, Koichi; Fujisawa, Takumi; Yamaguchi, Akira; Sumiyama, Akihiko; Shuku, Yoshiaki; Aoyagi, Shinobu; Fujita, Wataru","Deuterium substitution effects on the structural and magnetic phase transitions of a hydrogen-bonded coordination polymer, bis(glycolato)copper(ii).","Dalton transactions (Cambridge, England : 2003)","2016","45","42","16774","16778","10.1039/c6dt03592b","","","0.71075","MoKα","","0.0234","0.0213","","","0.0596","0.0607","","","","","","1.058","","","","has coordinates","188233","2020-10-21","18:00:00",""
"7040795","5.0794","0.0005","8.6924","0.0008","7.7046","0.0008","90","","107.338","0.003","90","","324.72","0.06","230","","230","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C4 H6 Cu O6 -","- C4 H6 Cu O6 -","- C8 H12 Cu2 O12 -","2","0.5","","Yoneyama, Shota; Kodama, Takeshi; Kikuchi, Koichi; Fujisawa, Takumi; Yamaguchi, Akira; Sumiyama, Akihiko; Shuku, Yoshiaki; Aoyagi, Shinobu; Fujita, Wataru","Deuterium substitution effects on the structural and magnetic phase transitions of a hydrogen-bonded coordination polymer, bis(glycolato)copper(ii).","Dalton transactions (Cambridge, England : 2003)","2016","45","42","16774","16778","10.1039/c6dt03592b","","","0.71075","MoKα","","0.0243","0.0228","","","0.0667","0.0676","","","","","","1.143","","","","has coordinates","188233","2020-10-21","18:00:00",""
"7040796","5.201","0.004","7.356","0.005","8.839","0.006","90","","101.169","0.007","90","","331.8","0.4","290","","290","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C4 H6 Cu O6 -","- C4 H6 Cu O6 -","- C8 H12 Cu2 O12 -","2","0.5","","Yoneyama, Shota; Kodama, Takeshi; Kikuchi, Koichi; Fujisawa, Takumi; Yamaguchi, Akira; Sumiyama, Akihiko; Shuku, Yoshiaki; Aoyagi, Shinobu; Fujita, Wataru","Deuterium substitution effects on the structural and magnetic phase transitions of a hydrogen-bonded coordination polymer, bis(glycolato)copper(ii).","Dalton transactions (Cambridge, England : 2003)","2016","45","42","16774","16778","10.1039/c6dt03592b","","","0.71075","MoKα","","","0.0268","","","","0.0694","","","","","","1.009","","","","has coordinates","188233","2020-10-21","18:00:00",""
"7040797","5.113","0.004","8.672","0.006","7.753","0.005","90","","106.996","0.01","90","","328.8","0.4","290","","290","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C4 H6 Cu O6 -","- C4 H6 Cu O6 -","- C8 H12 Cu2 O12 -","2","0.5","","Yoneyama, Shota; Kodama, Takeshi; Kikuchi, Koichi; Fujisawa, Takumi; Yamaguchi, Akira; Sumiyama, Akihiko; Shuku, Yoshiaki; Aoyagi, Shinobu; Fujita, Wataru","Deuterium substitution effects on the structural and magnetic phase transitions of a hydrogen-bonded coordination polymer, bis(glycolato)copper(ii).","Dalton transactions (Cambridge, England : 2003)","2016","45","42","16774","16778","10.1039/c6dt03592b","","","0.71075","MoKα","","","0.0293","","","","0.0724","","","","","","1","","","","has coordinates","188233","2020-10-21","18:00:00",""
"7040798","5.101","0.003","8.673","0.005","7.747","0.005","90","","106.933","0.007","90","","327.9","0.3","290","","290","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C4 H6 Cu O6 -","- C4 H6 Cu O6 -","- C8 H12 Cu2 O12 -","2","0.5","","Yoneyama, Shota; Kodama, Takeshi; Kikuchi, Koichi; Fujisawa, Takumi; Yamaguchi, Akira; Sumiyama, Akihiko; Shuku, Yoshiaki; Aoyagi, Shinobu; Fujita, Wataru","Deuterium substitution effects on the structural and magnetic phase transitions of a hydrogen-bonded coordination polymer, bis(glycolato)copper(ii).","Dalton transactions (Cambridge, England : 2003)","2016","45","42","16774","16778","10.1039/c6dt03592b","","","0.71075","MoKα","","0.0378","0.0281","","","0.0665","0.0717","","","","","","1.153","","","","has coordinates","188233","2020-10-21","18:00:00",""
"7040799","5.11","0.006","8.6803","0.001","7.748","0.009","90","","106.73","0.015","90","","329.1","0.5","290","","290","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C4 H6 Cu O6 -","- C4 H6 Cu O6 -","- C8 H12 Cu2 O12 -","2","0.5","","Yoneyama, Shota; Kodama, Takeshi; Kikuchi, Koichi; Fujisawa, Takumi; Yamaguchi, Akira; Sumiyama, Akihiko; Shuku, Yoshiaki; Aoyagi, Shinobu; Fujita, Wataru","Deuterium substitution effects on the structural and magnetic phase transitions of a hydrogen-bonded coordination polymer, bis(glycolato)copper(ii).","Dalton transactions (Cambridge, England : 2003)","2016","45","42","16774","16778","10.1039/c6dt03592b","","","0.71075","MoKα","","0.0367","0.0264","","","0.0612","0.0654","","","","","","1.024","","","","has coordinates","188233","2020-10-21","18:00:00",""
"7040800","5.108","0.002","8.677","0.003","7.755","0.003","90","","106.812","0.004","90","","329","0.2","290","","290","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C4 H6 Cu O6 -","- C4 H6 Cu O6 -","- C8 H12 Cu2 O12 -","2","0.5","","Yoneyama, Shota; Kodama, Takeshi; Kikuchi, Koichi; Fujisawa, Takumi; Yamaguchi, Akira; Sumiyama, Akihiko; Shuku, Yoshiaki; Aoyagi, Shinobu; Fujita, Wataru","Deuterium substitution effects on the structural and magnetic phase transitions of a hydrogen-bonded coordination polymer, bis(glycolato)copper(ii).","Dalton transactions (Cambridge, England : 2003)","2016","45","42","16774","16778","10.1039/c6dt03592b","","","0.71075","MoKα","","0.0312","0.0265","","","0.0673","0.0683","","","","","","1.04","","","","has coordinates","188233","2020-10-21","18:00:00",""
"7040801","9.474","0.002","20.735","0.006","6.5828","0.0019","90","","123.695","0.003","90","","1075.9","0.5","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C5 H7 Cu N8 O3 -","- C5 H7 Cu N8 O3 -","- C20 H28 Cu4 N32 O12 -","4","1","","Qu, Xiaoni; Zhai, Lianjie; Wang, Bozhou; Wei, Qing; Xie, Gang; Chen, Sanping; Gao, Shengli","Copper-based energetic MOFs with 3-nitro-1H-1,2,4-triazole: solvent-dependent syntheses, structures and energetic performances.","Dalton transactions (Cambridge, England : 2003)","2016","45","43","17304","17311","10.1039/c6dt03631g","","","0.71073","MoKα","","0.0924","0.048","","","0.1066","0.1495","","","","","","1.034","","","","has coordinates","188186","2020-10-21","18:00:00",""
"7040802","14.361","0.003","6.5596","0.0015","15.048","0.003","90","","90","","90","","1417.6","0.5","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C2 H3 Cu N7 O3 -","- C2 H3 Cu N7 O3 -","- C16 H24 Cu8 N56 O24 -","8","1","","Qu, Xiaoni; Zhai, Lianjie; Wang, Bozhou; Wei, Qing; Xie, Gang; Chen, Sanping; Gao, Shengli","Copper-based energetic MOFs with 3-nitro-1H-1,2,4-triazole: solvent-dependent syntheses, structures and energetic performances.","Dalton transactions (Cambridge, England : 2003)","2016","45","43","17304","17311","10.1039/c6dt03631g","","","0.71073","MoKα","","0.068","0.0383","","","0.0794","0.0924","","","","","","1.02","","","","has coordinates,has disorder","188186","2020-10-21","18:00:00",""
"7040803","4.8489","0.0011","9.475","0.002","10.518","0.002","90","","90","","90","","483.23","0.18","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C2 H Cu N4 O2 -","- C2 H Cu N4 O2 -","- C8 H4 Cu4 N16 O8 -","4","1","","Qu, Xiaoni; Zhai, Lianjie; Wang, Bozhou; Wei, Qing; Xie, Gang; Chen, Sanping; Gao, Shengli","Copper-based energetic MOFs with 3-nitro-1H-1,2,4-triazole: solvent-dependent syntheses, structures and energetic performances.","Dalton transactions (Cambridge, England : 2003)","2016","45","43","17304","17311","10.1039/c6dt03631g","","","0.71073","MoKα","","0.0372","0.0285","","","0.049","0.0514","","","","","","1.031","","","","has coordinates","188186","2020-10-21","18:00:00",""
"7040804","11.5527","0.0011","10.0629","0.0008","12.2428","0.0013","90","","102.808","0.012","90","","1387.9","0.2","183","2","183","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H16 N2 O2 Ru -","- C15 H16 N2 O2 Ru -","- C60 H64 N8 O8 Ru4 -","4","1","","Hess, Jeannine; Patra, Malay; Jabbar, Abdul; Pierroz, Vanessa; Konatschnig, Sandro; Spingler, Bernhard; Ferrari, Stefano; Gasser, Robin B.; Gasser, Gilles","Assessment of the nematocidal activity of metallocenyl analogues of monepantel.","Dalton transactions (Cambridge, England : 2003)","2016","45","44","17662","17671","10.1039/c6dt03376h","","","0.71073","MoKα","","0.0436","0.033","","","0.0641","0.069","","","","","","1.046","","","","has coordinates","190177","2020-10-21","18:00:00",""
"7040805","9.2568","0.0005","9.9157","0.0005","12.7041","0.0004","80.988","0.004","89.238","0.004","67.841","0.005","1065.29","0.09","183","2","183","2","","","","","","","","6","P -1","-P 1","2","","","","- C23 H18 F3 Fe N3 O2 -","- C23 H18 F3 Fe N3 O2 -","- C46 H36 F6 Fe2 N6 O4 -","2","1","","Hess, Jeannine; Patra, Malay; Jabbar, Abdul; Pierroz, Vanessa; Konatschnig, Sandro; Spingler, Bernhard; Ferrari, Stefano; Gasser, Robin B.; Gasser, Gilles","Assessment of the nematocidal activity of metallocenyl analogues of monepantel.","Dalton transactions (Cambridge, England : 2003)","2016","45","44","17662","17671","10.1039/c6dt03376h","","","0.71073","MoKα","","0.058","0.0441","","","0.0981","0.1056","","","","","","1.043","","","","has coordinates","190177","2020-10-21","18:00:00",""
"7040806","11.507","0.0006","10.0116","0.0006","12.1955","0.0006","90","","104.607","0.005","90","","1359.55","0.13","183","2","183","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H16 Fe N2 O2 -","- C15 H16 Fe N2 O2 -","- C60 H64 Fe4 N8 O8 -","4","1","","Hess, Jeannine; Patra, Malay; Jabbar, Abdul; Pierroz, Vanessa; Konatschnig, Sandro; Spingler, Bernhard; Ferrari, Stefano; Gasser, Robin B.; Gasser, Gilles","Assessment of the nematocidal activity of metallocenyl analogues of monepantel.","Dalton transactions (Cambridge, England : 2003)","2016","45","44","17662","17671","10.1039/c6dt03376h","","","0.71073","MoKα","","0.0493","0.0379","","","0.0864","0.0926","","","","","","1.062","","","","has coordinates","190177","2020-10-21","18:00:00",""
"7040807","9.979","0.004","15.213","0.002","15.324","0.004","77.265","0.004","84.485","0.007","89.5","0.013","2258.4","1.1","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H26 Fe2 N2 O2 -","- C26 H26 Fe2 N2 O2 -","- C104 H104 Fe8 N8 O8 -","4","2","","Hess, Jeannine; Patra, Malay; Jabbar, Abdul; Pierroz, Vanessa; Konatschnig, Sandro; Spingler, Bernhard; Ferrari, Stefano; Gasser, Robin B.; Gasser, Gilles","Assessment of the nematocidal activity of metallocenyl analogues of monepantel.","Dalton transactions (Cambridge, England : 2003)","2016","45","44","17662","17671","10.1039/c6dt03376h","","","0.71255","","","0.0635","0.0595","","","0.1448","0.1478","","","","","","1.052","","","","has coordinates,has disorder","190177","2020-10-21","18:00:00",""
"7040808","17.2349","0.0013","14.0856","0.0009","17.5383","0.0013","90","","90","","90","","4257.7","0.5","273","2","273","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C45 H52 Cl3 Fe N2 P -","- C45 H52 Cl3 Fe N2 P -","- C180 H208 Cl12 Fe4 N8 P4 -","4","1","","Li, Zhuang; Liu, Ling; Sun, Hong-Mei; Shen, Qi; Zhang, Yong","Alkyl Grignard cross-coupling of aryl phosphates catalyzed by new, highly active ionic iron(ii) complexes containing a phosphine ligand and an imidazolium cation.","Dalton transactions (Cambridge, England : 2003)","2016","45","44","17739","17747","10.1039/c6dt02995g","","","0.71073","MoKα","","0.0542","0.0524","","","0.1474","0.1528","","","","","","1.163","","","","has coordinates","190178","2020-10-21","18:00:00",""
"7040809","17.4631","0.0009","14.2501","0.0005","17.9938","0.001","90","","90","","90","","4477.8","0.4","293","2","293","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C45 H52 Br3 Fe N2 P -","- C45 H52 Br3 Fe N2 P -","- C180 H208 Br12 Fe4 N8 P4 -","4","1","","Li, Zhuang; Liu, Ling; Sun, Hong-Mei; Shen, Qi; Zhang, Yong","Alkyl Grignard cross-coupling of aryl phosphates catalyzed by new, highly active ionic iron(ii) complexes containing a phosphine ligand and an imidazolium cation.","Dalton transactions (Cambridge, England : 2003)","2016","45","44","17739","17747","10.1039/c6dt02995g","","","0.71073","MoKα","","0.087","0.054","","","0.1179","0.1347","","","","","","1.013","","","","has coordinates,has disorder","190178","2020-10-21","18:00:00",""
"7040810","17.6972","0.0007","16.5426","0.0007","22.9862","0.001","90","","90","","90","","6729.4","0.5","293","2","293","2","","","","","","","","7","P n m a","-P 2ac 2n","62","","","","- C57 H94 Cl3 Fe N2 O3 P -","- C57 H96 Cl3 Fe N2 O3 P -","- C228 H384 Cl12 Fe4 N8 O12 P4 -","4","0.5","","Li, Zhuang; Liu, Ling; Sun, Hong-Mei; Shen, Qi; Zhang, Yong","Alkyl Grignard cross-coupling of aryl phosphates catalyzed by new, highly active ionic iron(ii) complexes containing a phosphine ligand and an imidazolium cation.","Dalton transactions (Cambridge, England : 2003)","2016","45","44","17739","17747","10.1039/c6dt02995g","","","0.71073","MoKα","","0.1402","0.1008","","","0.3036","0.3424","","","","","","1.198","","","","has coordinates,has disorder","190178","2020-10-21","18:00:00",""
"7040811","14.7396","0.0004","15.529","0.0005","23.447","0.0005","90","","90","","90","","5366.8","0.3","293","2","293","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C49 H78 Br3 Fe N2 O P -","- C49 H78 Br3 Fe N2 O P -","- C196 H312 Br12 Fe4 N8 O4 P4 -","4","1","","Li, Zhuang; Liu, Ling; Sun, Hong-Mei; Shen, Qi; Zhang, Yong","Alkyl Grignard cross-coupling of aryl phosphates catalyzed by new, highly active ionic iron(ii) complexes containing a phosphine ligand and an imidazolium cation.","Dalton transactions (Cambridge, England : 2003)","2016","45","44","17739","17747","10.1039/c6dt02995g","","","0.71073","MoKα","","0.0789","0.0444","","","0.0844","0.0965","","","","","","1.026","","","","has coordinates","190178","2020-10-21","18:00:00",""
"7040812","12.168","0.002","32.246","0.006","9.841","0.002","90","","96.59","0.03","90","","3835.8","1.3","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C35 H53 Cl3 Fe N2 O2 -","- C35 H53 Cl3 Fe N2 O2 -","- C140 H212 Cl12 Fe4 N8 O8 -","4","1","","Li, Zhuang; Liu, Ling; Sun, Hong-Mei; Shen, Qi; Zhang, Yong","Alkyl Grignard cross-coupling of aryl phosphates catalyzed by new, highly active ionic iron(ii) complexes containing a phosphine ligand and an imidazolium cation.","Dalton transactions (Cambridge, England : 2003)","2016","45","44","17739","17747","10.1039/c6dt02995g","","","0.71073","MoKα","","0.0688","0.0528","","","0.1213","0.1288","","","","","","0.989","","","","has coordinates","190178","2020-10-21","18:00:00",""
"7040813","11.3255","0.0004","13.2264","0.0005","18.654","0.0009","99.408","0.004","102.8","0.004","105.251","0.003","2554.8","0.2","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C47 H74 Br3 Fe N2 O2 P -","- C47 H74 Br3 Fe N2 O2 P -","- C94 H148 Br6 Fe2 N4 O4 P2 -","2","1","","Li, Zhuang; Liu, Ling; Sun, Hong-Mei; Shen, Qi; Zhang, Yong","Alkyl Grignard cross-coupling of aryl phosphates catalyzed by new, highly active ionic iron(ii) complexes containing a phosphine ligand and an imidazolium cation.","Dalton transactions (Cambridge, England : 2003)","2016","45","44","17739","17747","10.1039/c6dt02995g","","","0.71073","MoKα","","0.134","0.0782","","","0.2108","0.2405","","","","","","1.068","","","","has coordinates","190178","2020-10-21","18:00:00",""
"7040814","11.174","0.0005","11.2358","0.0005","16.7264","0.0008","71.493","0.002","72.711","0.002","84.664","0.002","1901.4","0.15","296","2","296","2","","","","","","","","8","P -1","-P 1","2","","","","- C36 H36 Cl3 Fe2 N O4 P2 S2 -","- C36 H36 Cl3 Fe2 N O4 P2 S2 -","- C72 H72 Cl6 Fe4 N2 O8 P4 S4 -","2","1","","Cheng, Minglun; Wang, Mei; Zheng, Dehua; Sun, Licheng","Effect of the S-to-S bridge on the redox properties and H2 activation performance of diiron complexes related to the [FeFe]-hydrogenase active site.","Dalton transactions (Cambridge, England : 2003)","2016","45","44","17687","17696","10.1039/c6dt02953a","","","0.71073","MoKα","","0.0625","0.057","","","0.1747","0.1806","","","","","","1.029","","","","has coordinates","190191","2020-10-21","18:00:00",""
"7040815","17.3996","0.0003","13.018","0.0002","20.6028","0.0005","90","","113.593","0.001","90","","4276.62","0.15","296","2","296","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C41 H39 Cl2 Fe2 N O4 P2 S2 -","- C41 H39 Cl2 Fe2 N O4 P2 S2 -","- C164 H156 Cl8 Fe8 N4 O16 P8 S8 -","4","1","","Cheng, Minglun; Wang, Mei; Zheng, Dehua; Sun, Licheng","Effect of the S-to-S bridge on the redox properties and H2 activation performance of diiron complexes related to the [FeFe]-hydrogenase active site.","Dalton transactions (Cambridge, England : 2003)","2016","45","44","17687","17696","10.1039/c6dt02953a","","","0.71073","MoKα","","0.0667","0.0487","","","0.1261","0.1383","","","","","","1.016","","","","has coordinates","190191","2020-10-21","18:00:00",""
"7040816","9.7553","0.0017","16.584","0.003","21.46","0.004","90","","98.659","0.004","90","","3432.3","1.1","273","2","273","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C37 H37 Fe N O P2 S2 -","- C37 H37 Fe N O P2 S2 -","- C148 H148 Fe4 N4 O4 P8 S8 -","4","1","","Cheng, Minglun; Wang, Mei; Zheng, Dehua; Sun, Licheng","Effect of the S-to-S bridge on the redox properties and H2 activation performance of diiron complexes related to the [FeFe]-hydrogenase active site.","Dalton transactions (Cambridge, England : 2003)","2016","45","44","17687","17696","10.1039/c6dt02953a","","","0.71073","MoKα","","0.1424","0.0581","","","0.1274","0.1647","","","","","","0.904","","","","has coordinates","190191","2020-10-21","18:00:00",""
"7040817","11.2393","0.0003","11.3322","0.0003","16.663","0.0004","81.605","0.002","78.208","0.002","87.034","0.002","2054.72","0.09","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C42 H42 Fe2 N2 O4 P2 S2 -","- C42 H42 Fe2 N2 O4 P2 S2 -","- C84 H84 Fe4 N4 O8 P4 S4 -","2","1","","Cheng, Minglun; Wang, Mei; Zheng, Dehua; Sun, Licheng","Effect of the S-to-S bridge on the redox properties and H2 activation performance of diiron complexes related to the [FeFe]-hydrogenase active site.","Dalton transactions (Cambridge, England : 2003)","2016","45","44","17687","17696","10.1039/c6dt02953a","","","0.71073","MoKα","","0.147","0.0603","","","0.14","0.1943","","","","","","0.847","","","","has coordinates","190191","2020-10-21","18:00:00",""
"7040818","11.07264","0.00012","13.22848","0.00014","15.00959","0.00018","90","","104.188","0.0012","90","","2131.45","0.04","99.97","0.14","99.97","0.14","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H20 B F10 N -","- C22 H20 B F10 N -","- C88 H80 B4 F40 N4 -","4","1","","Körte, Leif A; Blomeyer, Sebastian; Heidemeyer, Shari; Nissen, Jan Hendrick; Mix, Andreas; Neumann, Beate; Stammler, Hans-Georg; Mitzel, Norbert W.","Intramolecular Lewis pairs with two acid sites - reactivity differences between P- and N-based systems.","Dalton transactions (Cambridge, England : 2003)","2016","45","43","17319","17328","10.1039/c6dt03490j","","x-ray","1.54184","CuKα","","0.0305","0.0295","","","0.0765","0.0775","","","","","","1.049","","","","has coordinates","188195","2020-10-21","18:00:00",""
"7040819","9.4739","0.0004","11.1509","0.0005","17.537","0.0011","100.459","0.005","101.468","0.005","103.921","0.004","1710.34","0.17","99.98","0.1","99.98","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C36 H17 B2 F20 P -","- C36 H17 B2 F20 P -","- C72 H34 B4 F40 P2 -","2","1","","Körte, Leif A; Blomeyer, Sebastian; Heidemeyer, Shari; Nissen, Jan Hendrick; Mix, Andreas; Neumann, Beate; Stammler, Hans-Georg; Mitzel, Norbert W.","Intramolecular Lewis pairs with two acid sites - reactivity differences between P- and N-based systems.","Dalton transactions (Cambridge, England : 2003)","2016","45","43","17319","17328","10.1039/c6dt03490j","","x-ray","0.71073","MoKα","","0.0481","0.0367","","","0.0865","0.0927","","","","","","1.029","","","","has coordinates","188195","2020-10-21","18:00:00",""
"7040820","11.41974","0.00006","16.58989","0.00009","18.01391","0.00013","90","","91.6247","0.0006","90","","3411.4","0.04","100.01","0.1","100.01","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C34 H21 B2 F20 P -","- C34 H21 B2 F20 P -","- C136 H84 B8 F80 P4 -","4","1","","Körte, Leif A; Blomeyer, Sebastian; Heidemeyer, Shari; Nissen, Jan Hendrick; Mix, Andreas; Neumann, Beate; Stammler, Hans-Georg; Mitzel, Norbert W.","Intramolecular Lewis pairs with two acid sites - reactivity differences between P- and N-based systems.","Dalton transactions (Cambridge, England : 2003)","2016","45","43","17319","17328","10.1039/c6dt03490j","","x-ray","1.54184","CuKα","","0.0326","0.0312","","","0.0807","0.0818","","","","","","1.037","","","","has coordinates","188195","2020-10-21","18:00:00",""
"7040821","19.6076","0.0013","27.694","0.0016","21.551","0.002","90","","107.054","0.002","90","","11187.9","1.4","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C96 H84 Br4 Cu10 N18 -","- C96 H84 Br4 Cu10 N18 -","- C384 H336 Br16 Cu40 N72 -","4","0.5","","Kivi, Charlie E.; Song, Datong","A luminescent cationic metal-organic framework featuring [Cu-pyrazolate]3 units for volatile organic compound sensing.","Dalton transactions (Cambridge, England : 2003)","2016","45","43","17087","17090","10.1039/c6dt03582e","","","0.71073","MoKα","","0.1157","0.0666","","","0.1722","0.1899","","","","","","1.036","","","","has coordinates,has disorder","188177","2020-10-21","18:00:00",""
"7040822","15.67024","0.0002","17.605","0.00017","16.44506","0.00019","90","","110.467","0.0014","90","","4250.39","0.09","110.05","0.1","110.05","0.1","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","Bis(tricyclohexylphoshine)platinum(eta3-allyl) 2,3,5,6-tetrafluoro-4-oxido-pyridine","","- C44 H71 F4 N O P2 Pt -","- C44 H71 F4 N O P2 Pt -","- C176 H284 F16 N4 O4 P8 Pt4 -","4","1","","Ortuño, Manuel A; Jasim, Nasarella A.; Whitwood, Adrian C.; Lledós, Agustí; Perutz, Robin N.","Platinum(0)-mediated C-O bond activation of ethers via an SN2 mechanism.","Dalton transactions (Cambridge, England : 2003)","2016","45","47","18842","18850","10.1039/c6dt03241a","","x-ray","0.71073","MoKα","","0.0346","0.0251","","","0.0508","0.0549","","","","","","1.041","","","","has coordinates,has disorder","190215","2020-10-21","18:00:00",""
"7040823","8.956","0.004","12.531","0.005","29.404","0.013","90","","91.695","0.005","90","","3298","2","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C26 H58 F6 N P3 Pt -","- C26 H58 F6 N P3 Pt -","- C104 H232 F24 N4 P12 Pt4 -","4","1","","Jamali, S.; Abedanzadeh, S.; Khaledi, N. K.; Samouei, H.; Hendi, Z.; Zacchini, S.; Kia, R.; Shahsavari, H. R.","A cooperative pathway for water activation using a bimetallic Pt(0)-Cu(I) system.","Dalton transactions (Cambridge, England : 2003)","2016","45","44","17644","17651","10.1039/c6dt03305a","","","0.71073","MoKα","","0.0711","0.0617","","","0.1436","0.1475","","","","","","1.086","","","","has coordinates","190193","2020-10-21","18:00:00",""
"7040824","11.4313","0.0006","13.8224","0.0008","17.2917","0.001","90","","106.597","0.003","90","","2618.4","0.3","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C22 H36 F6 N2 P2 Pt -","- C22 H36 F6 N2 P2 Pt -","- C88 H144 F24 N8 P8 Pt4 -","4","1","","Jamali, S.; Abedanzadeh, S.; Khaledi, N. K.; Samouei, H.; Hendi, Z.; Zacchini, S.; Kia, R.; Shahsavari, H. R.","A cooperative pathway for water activation using a bimetallic Pt(0)-Cu(I) system.","Dalton transactions (Cambridge, England : 2003)","2016","45","44","17644","17651","10.1039/c6dt03305a","","","0.71073","MoKα","","0.0438","0.0412","","","0.1198","0.1219","","","","","","1.126","","","","has coordinates","190193","2020-10-21","18:00:00",""
"7040825","5.65908","0.00015","14.3406","0.0005","4.79644","0.00013","90","","90","","90","","389.25","0.02","293","","293","","","","","","","","mechanochemical synthesis","5","P m n 21","P 2ac -2","31","Copper(II)-phenylphosphonate monohydrate","","alphaCuPhP","- C6 H7 Cu O4 P -","- C6 Cu O4 P -","- C6 Cu O4 P -","1","0.25","","Wilke, Manuel; Kabelitz, Anke; Gorelik, Tatiana E.; Buzanich, Ana Guilherme; Reinholz, Uwe; Kolb, Ute; Rademann, Klaus; Emmerling, Franziska","The crystallisation of copper(ii) phenylphosphonates.","Dalton transactions (Cambridge, England : 2003)","2016","45","43","17453","17463","10.1039/c6dt02904c","powder diffraction","x-ray","1.5406","CuKα","","","","","","","","","8.225","8.91","","","","","","","has coordinates","188194","2020-10-21","18:00:00",""
"7040826","13.9871","0.0007","7.6637","0.0004","7.4534","0.0004","90","","91.75","0.002","90","","798.58","0.07","180","2","180","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Copper Phenylphosphonate","Copper Phenylphosphonate","","- C6 H7 Cu O4 P -","- C6 H7 Cu O4 P -","- C24 H28 Cu4 O16 P4 -","4","1","","Wilke, Manuel; Kabelitz, Anke; Gorelik, Tatiana E.; Buzanich, Ana Guilherme; Reinholz, Uwe; Kolb, Ute; Rademann, Klaus; Emmerling, Franziska","The crystallisation of copper(ii) phenylphosphonates.","Dalton transactions (Cambridge, England : 2003)","2016","45","43","17453","17463","10.1039/c6dt02904c","","","0.71073","MoKα","","0.033","0.0318","","","0.082","0.0829","","","","","","1.109","","","","has coordinates","188194","2020-10-21","18:00:00",""
"7040827","31.6115","0.0003","6.0867","0.00006","7.62568","0.00007","90","","97.5312","0.001","90","","1454.6","0.02","293","","293","","","","","","","","mechanochemical synthesis","5","C 1 2/c 1","-C 2yc","15","Copper(II)-bis(phenylphosphonate)_Monohydrate","","CuPhP2","- C12 H14 Cu O7 P2 -","- C12 H14 Cu O7 P2 -","- C48 H56 Cu4 O28 P8 -","4","0.5","","Wilke, Manuel; Kabelitz, Anke; Gorelik, Tatiana E.; Buzanich, Ana Guilherme; Reinholz, Uwe; Kolb, Ute; Rademann, Klaus; Emmerling, Franziska","The crystallisation of copper(ii) phenylphosphonates.","Dalton transactions (Cambridge, England : 2003)","2016","45","43","17453","17463","10.1039/c6dt02904c","powder diffraction","x-ray","1.5406","CuKα","","","","","","","","","6.62","2.98","","","","","","","has coordinates","193997","2020-10-21","18:00:00",""
"7040830","10.9782","0.0007","13.3015","0.0009","15.8036","0.0011","90","","100.432","0.003","90","","2269.6","0.3","100","2","100.09","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","Mn(tpa)(CO)3(PF6)","tris(2-pyridylmethyl)amine-tris(carbonyl)manganese(hexafluorophosphate)","","- C21 H18 F5.97 Mn N4 O3 P0.99 -","- C21 H18 F5.97 Mn N4 O3 P0.995 -","- C84 H72 F23.88 Mn4 N16 O12 P3.98 -","4","1","","Sachs, Ulf; Schaper, Gerrit; Winkler, Daniela; Kratzert, Daniel; Kurz, Philipp","Light- or oxidation-triggered CO release from [Mn(I)(CO)3(κ(3)-L)] complexes: reaction intermediates and a new synthetic route to [Mn(μ-O)2(L)2] compounds.","Dalton transactions (Cambridge, England : 2003)","2016","45","43","17464","17473","10.1039/c6dt02020h","","","0.71073","MoKα","","0.0431","0.0324","","","0.0801","0.0854","","","","","","1.039","","","","has coordinates,has disorder","188196","2020-10-21","18:00:00",""
"7040831","8.3422","0.0004","16.6653","0.0007","10.7977","0.0005","90","","95.322","0.002","90","","1494.68","0.12","100","","100.02","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","bis(trispyrazolemethane)manganese(II)bis(hexafluorophosphate)","bis(trispyrazolemethane)manganese(II)bis(hexafluorophosphate)","","- C20 H20 F12 Mn N12 P2 -","- C20 H20 F12 Mn N12 P2 -","- C40 H40 F24 Mn2 N24 P4 -","2","0.5","","Sachs, Ulf; Schaper, Gerrit; Winkler, Daniela; Kratzert, Daniel; Kurz, Philipp","Light- or oxidation-triggered CO release from [Mn(I)(CO)3(κ(3)-L)] complexes: reaction intermediates and a new synthetic route to [Mn(μ-O)2(L)2] compounds.","Dalton transactions (Cambridge, England : 2003)","2016","45","43","17464","17473","10.1039/c6dt02020h","","","0.71073","MoKα","","0.0334","0.0284","","","0.0748","0.0778","","","","","","1.025","","","","has coordinates","188196","2020-10-21","18:00:00",""
"7040832","8.3617","0.001","10.9758","0.001","12.1705","0.0012","103.77","0.004","95.537","0.004","94.757","0.003","1073.3","0.19","100","","100.03","","","","","","","","","5","P -1","-P 1","2","tetra(bispyrazolylaceticacid)bis(manganese(II))tetra(hexafluorophosphate)","tetra(bispyrazolylaceticacid)bis(manganese(II))tetra(hexafluorophosphate)","","- C32 H44 Mn2 N16 O16 -","- C32 H44 Mn2 N16 O16 -","- C32 H44 Mn2 N16 O16 -","1","0.5","","Sachs, Ulf; Schaper, Gerrit; Winkler, Daniela; Kratzert, Daniel; Kurz, Philipp","Light- or oxidation-triggered CO release from [Mn(I)(CO)3(κ(3)-L)] complexes: reaction intermediates and a new synthetic route to [Mn(μ-O)2(L)2] compounds.","Dalton transactions (Cambridge, England : 2003)","2016","45","43","17464","17473","10.1039/c6dt02020h","","","0.71073","MoKα","","0.0342","0.0299","","","0.0766","0.0793","","","","","","1.051","","","","has coordinates","188196","2020-10-21","18:00:00",""
"7040833","12.617","0.0008","18.898","0.0012","19.9575","0.0013","85.848","0.002","88.135","0.002","77.867","0.002","4639.3","0.5","100","2","99.97","","","","","","","","","7","P -1","-P 1","2","bis(tris(2-pyridylmethyl)amine)bis(oxido)-bismanganese-tris(hexafluorophosphate)","bis(tris(2-pyridylmethyl)amine)bis(oxido)-bismanganese-tris(hexafluorophosphate)","","- C38 H39 F18 Mn2 N9 O2 P3 -","- C38 H39 F18.003 Mn2 N9 O2 P3.0005 -","- C152 H156 F72.012 Mn8 N36 O8 P12.002 -","4","2","","Sachs, Ulf; Schaper, Gerrit; Winkler, Daniela; Kratzert, Daniel; Kurz, Philipp","Light- or oxidation-triggered CO release from [Mn(I)(CO)3(κ(3)-L)] complexes: reaction intermediates and a new synthetic route to [Mn(μ-O)2(L)2] compounds.","Dalton transactions (Cambridge, England : 2003)","2016","45","43","17464","17473","10.1039/c6dt02020h","","","0.71073","MoKα","","0.0868","0.0491","","","0.0996","0.1169","","","","","","1.041","","","","has coordinates,has disorder","188196","2020-10-21","18:00:00",""
"7040834","10.2106","0.0015","12.3868","0.0019","19.944","0.003","85.445","0.007","86.987","0.007","66.838","0.007","2311.2","0.6","100","2","99.99","","","","","","","","","7","P -1","-P 1","2","bis(tris(2-pyridylmethyl)amine)bis(oxido)-bismanganese-tris(hexafluorophosphate)","bis(tris(2-pyridylmethyl)amine)bis(oxido)-bismanganese-tris(hexafluorophosphate)","","- C38 H39 F18 Mn2 N9 O2 P3 -","- C38 H39 F18 Mn2 N9 O2 P3 -","- C76 H78 F36 Mn4 N18 O4 P6 -","2","1","","Sachs, Ulf; Schaper, Gerrit; Winkler, Daniela; Kratzert, Daniel; Kurz, Philipp","Light- or oxidation-triggered CO release from [Mn(I)(CO)3(κ(3)-L)] complexes: reaction intermediates and a new synthetic route to [Mn(μ-O)2(L)2] compounds.","Dalton transactions (Cambridge, England : 2003)","2016","45","43","17464","17473","10.1039/c6dt02020h","","","0.71073","MoKα","","0.0614","0.0414","","","0.1007","0.1121","","","","","","1.028","","","","has coordinates,has disorder","188196","2020-10-21","18:00:00",""
"7040835","18.6928","0.0008","22.4646","0.0007","21.6484","0.0008","90","","94.336","0.003","90","","9064.7","0.6","220","2","220","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C91 H81 B2 F6 N8 P Ru -","- C91 H81 B2 F6 N8 P Ru -","- C364 H324 B8 F24 N32 P4 Ru4 -","4","2","","Cooke, Michael W.; Santoni, Marie-Pierre; Hasenknopf, Bernold; Hanan, Garry S.","Heteroleptic ruthenium(ii) chromophores based on tunable polytopic 4'-(benzamidinato)-2,2':6',2''-terpyridines.","Dalton transactions (Cambridge, England : 2003)","2016","45","44","17850","17858","10.1039/c6dt03169b","","","1.54178","CuKα","","0.1058","0.0647","","","0.1421","0.1564","","","","","","0.857","","","","has coordinates","190168","2020-10-21","18:00:00",""
"7040836","10.342","0.003","10.124","0.003","9.158","0.003","90","","90","","90","","958.9","0.5","296","2","296","2","","","","","","","","5","C m c 21","C 2c -2","36","","","","- Cl4 H2 O2 Rb2 Se -","- Cl4 H2 O2 Rb2 Se -","- Cl16 H8 O8 Rb8 Se4 -","4","0.5","","Wu, Qi; Liu, Hongming; Kang, Lei; Lin, Zheshuai; Meng, Xianggao; Chen, Xingguo; Qin, Jingui","Rb2SeOCl4·H2O: a polar material among the alkali metal selenite halides with a strong SHG response.","Dalton transactions (Cambridge, England : 2003)","2016","45","44","17723","17728","10.1039/c6dt02608g","","","0.71073","MoKα","","0.0396","0.0324","","","0.0754","0.0781","","","","","","1.068","","","","has coordinates","190175","2020-10-21","18:00:00",""
"7040837","9.9408","0.0002","7.60946","0.00014","7.63997","0.00016","98.9803","0.0019","96.2793","0.0018","108.873","0.0014","532.19","0.02","298","","298","","","","","","","","","5","P -1","-P 1","2","","","","- C6 H8 Cu2 I2 N2 -","- C6 H8 Cu2 I2 N2 -","- C12 H16 Cu4 I4 N4 -","2","1","","Farinella, F.; Maini, L.; Mazzeo, P. P.; Fattori, V.; Monti, F.; Braga, D.","White luminescence achieved by a multiple thermochromic emission in a hybrid organic-inorganic compound based on 3-picolylamine and copper(i) iodide.","Dalton transactions (Cambridge, England : 2003)","2016","45","44","17939","17947","10.1039/c6dt03049a","powder diffraction","x-ray","1.54187","CuKα","","","","","","","","","0.0104","2.5916","","","","","","","has coordinates","190176","2020-10-21","18:00:00",""
"7040838","8.3526","0.0002","13.8271","0.0003","7.27148","0.00018","90","","98.5544","0.0011","90","","830.46","0.03","298","","298","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C6 H8 Cu I N2 -","- C6 H8 Cu I N2 -","- C24 H32 Cu4 I4 N8 -","4","1","","Farinella, F.; Maini, L.; Mazzeo, P. P.; Fattori, V.; Monti, F.; Braga, D.","White luminescence achieved by a multiple thermochromic emission in a hybrid organic-inorganic compound based on 3-picolylamine and copper(i) iodide.","Dalton transactions (Cambridge, England : 2003)","2016","45","44","17939","17947","10.1039/c6dt03049a","powder diffraction","x-ray","0.775311","synchrotron","","","","","","","","","0.0399","17.5433","","","","","","","has coordinates","190176","2020-10-21","18:00:00",""
"7040839","9.3471","0.001","14.4575","0.0016","8.0186","0.0009","90","","90.4695","0.0007","90","","1083.6","0.2","298","","298","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C8 H11 Cu I N3 -","- C8 H11 Cu I N3 -","- C32 H44 Cu4 I4 N12 -","4","1","","Farinella, F.; Maini, L.; Mazzeo, P. P.; Fattori, V.; Monti, F.; Braga, D.","White luminescence achieved by a multiple thermochromic emission in a hybrid organic-inorganic compound based on 3-picolylamine and copper(i) iodide.","Dalton transactions (Cambridge, England : 2003)","2016","45","44","17939","17947","10.1039/c6dt03049a","powder diffraction","x-ray","0.775311","synchrotron","","","","","","","","","0.0247","11.6137","","","","","","","has coordinates","190176","2020-10-21","18:00:00",""
"7040840","9.0698","0.0012","13.485","0.0016","17.156","0.002","90","","103.926","0.003","90","","2036.6","0.4","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C40 H30 Cu4 I2 N8 S4 -","- C40 H30 Cu4 I2 N8 S4 -","- C80 H60 Cu8 I4 N16 S8 -","2","0.5","","Zhang, Meng-Juan; Li, Hong-Xi; Li, Hai-Yan; Lang, Jian-Ping","Copper(i) 5-phenylpyrimidine-2-thiolate complexes showing unique optical properties and high visible light-directed catalytic performance.","Dalton transactions (Cambridge, England : 2003)","2016","45","44","17759","17769","10.1039/c6dt03721f","","","0.7107","MoKα","","0.0677","0.0498","","","0.0957","0.103","","","","","","1.099","","","","has coordinates","190179","2020-10-21","18:00:00",""
"7040841","8.9345","0.0007","14.2016","0.001","14.3237","0.0011","105.957","0.002","104.457","0.002","107.305","0.002","1555.8","0.2","153","2","153","2","","","","","","","","5","P -1","-P 1","2","","","","- C64 H48 Cu6 N14 S6 -","- C64 H48 Cu6 N14 S6 -","- C64 H48 Cu6 N14 S6 -","1","0.5","","Zhang, Meng-Juan; Li, Hong-Xi; Li, Hai-Yan; Lang, Jian-Ping","Copper(i) 5-phenylpyrimidine-2-thiolate complexes showing unique optical properties and high visible light-directed catalytic performance.","Dalton transactions (Cambridge, England : 2003)","2016","45","44","17759","17769","10.1039/c6dt03721f","","","0.71073","MoKα","","0.0362","0.0258","","","0.0529","0.0563","","","","","","1.034","","","","has coordinates","190179","2020-10-21","18:00:00",""
"7040842","7.9432","0.0004","9.9838","0.0007","12.8707","0.0009","79.98","0.006","82.732","0.005","81.898","0.005","989.63","0.11","223","2","223","2","","","","","","","","6","P -1","-P 1","2","","","","- C40 H30 Br2 Cu4 N8 S4 -","- C40 H30 Br2 Cu4 N8 S4 -","- C40 H30 Br2 Cu4 N8 S4 -","1","0.5","","Zhang, Meng-Juan; Li, Hong-Xi; Li, Hai-Yan; Lang, Jian-Ping","Copper(i) 5-phenylpyrimidine-2-thiolate complexes showing unique optical properties and high visible light-directed catalytic performance.","Dalton transactions (Cambridge, England : 2003)","2016","45","44","17759","17769","10.1039/c6dt03721f","","","0.71073","MoKα","","0.0554","0.0402","","","0.0765","0.0823","","","","","","1.009","","","","has coordinates","190179","2020-10-21","18:00:00",""
"7040843","12.51","0.0009","9.4515","0.0006","12.0472","0.0009","90","","107.004","0.008","90","","1362.17","0.18","223","2","223","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- C40 H28 Cu12 I8 N8 S4 -","- C40 H28 Cu12 I8 N8 S4 -","- C40 H28 Cu12 I8 N8 S4 -","1","0.125","","Zhang, Meng-Juan; Li, Hong-Xi; Li, Hai-Yan; Lang, Jian-Ping","Copper(i) 5-phenylpyrimidine-2-thiolate complexes showing unique optical properties and high visible light-directed catalytic performance.","Dalton transactions (Cambridge, England : 2003)","2016","45","44","17759","17769","10.1039/c6dt03721f","","","0.71073","MoKα","","0.0524","0.0371","","","0.0703","0.0772","","","","","","0.996","","","","has coordinates","190179","2020-10-21","18:00:00",""
"7040844","8.3588","0.0006","9.3642","0.0007","14.7668","0.0011","88.688","0.004","76.13","0.004","85.922","0.004","1119.29","0.14","153","2","153","2","","","","","","","","6","P -1","-P 1","2","","","","- C20 H14 Br2 Cu4 N4 S2 -","- C20 H14 Br2 Cu4 N4 S2 -","- C40 H28 Br4 Cu8 N8 S4 -","2","1","","Zhang, Meng-Juan; Li, Hong-Xi; Li, Hai-Yan; Lang, Jian-Ping","Copper(i) 5-phenylpyrimidine-2-thiolate complexes showing unique optical properties and high visible light-directed catalytic performance.","Dalton transactions (Cambridge, England : 2003)","2016","45","44","17759","17769","10.1039/c6dt03721f","","","0.71073","MoKα","","0.1126","0.0714","","","0.1883","0.2219","","","","","","1.021","","","","has coordinates","190179","2020-10-21","18:00:00",""
"7040845","11.8147","0.001","5.0497","0.0004","17.2523","0.0015","90","","109.718","0.002","90","","968.93","0.14","273","2","273","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C20 H14 Cu N4 O6 S2 -","- C20 H14 Cu N4 O6 S2 -","- C40 H28 Cu2 N8 O12 S4 -","2","0.5","","Zhang, Meng-Juan; Li, Hong-Xi; Li, Hai-Yan; Lang, Jian-Ping","Copper(i) 5-phenylpyrimidine-2-thiolate complexes showing unique optical properties and high visible light-directed catalytic performance.","Dalton transactions (Cambridge, England : 2003)","2016","45","44","17759","17769","10.1039/c6dt03721f","","","0.71073","MoKα","","0.1102","0.0969","","","0.2505","0.256","","","","","","1.081","","","","has coordinates,has disorder","190179","2020-10-21","18:00:00",""
"7040846","8.954","0.0003","14.1215","0.001","14.6424","0.0012","90","","120.519","0.005","90","","1594.9","0.2","150","2","150","2","","","","","","","","6","P 1 c 1","P -2yc","7","","","","- C30 H36 N4 P2 Se2 Ti -","- C30 H36 N4 P2 Se2 Ti -","- C60 H72 N8 P4 Se4 Ti2 -","2","1","","Bhattacharjee, Jayeeta; Das, Suman; Kottalanka, Ravi K.; Panda, Tarun K.","Hydroamination of carbodiimides, isocyanates, and isothiocyanates by a bis(phosphinoselenoic amide) supported titanium(iv) complex.","Dalton transactions (Cambridge, England : 2003)","2016","45","44","17824","17832","10.1039/c6dt03063g","","","1.54184","CuKα","","0.0369","0.0364","","","0.0974","0.0981","","","","","","1.071","","","","has coordinates","190180","2020-10-21","18:00:00",""
"7040847","9.1347","0.0003","11.3629","0.0004","18.5528","0.0006","90","","90","","90","","1925.72","0.11","150","2","150","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C9 H11 Cl N2 O -","- C9 H11 Cl N2 O -","- C72 H88 Cl8 N16 O8 -","8","1","","Bhattacharjee, Jayeeta; Das, Suman; Kottalanka, Ravi K.; Panda, Tarun K.","Hydroamination of carbodiimides, isocyanates, and isothiocyanates by a bis(phosphinoselenoic amide) supported titanium(iv) complex.","Dalton transactions (Cambridge, England : 2003)","2016","45","44","17824","17832","10.1039/c6dt03063g","","","1.54184","CuKα","","0.0584","0.048","","","0.1203","0.1291","","","","","","1.049","","","","has coordinates","190180","2020-10-21","18:00:00",""
"7040848","12.052","0.003","20.35","0.006","20.965","0.006","90.286","0.006","94.702","0.006","97.737","0.006","5077","2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C115 H104 N10 O2 P4 Ru2 -","- C115 H104 N10 O2 P4 Ru2 -","- C230 H208 N20 O4 P8 Ru4 -","2","1","","Chai, Huining; Wang, Qingfu; Liu, Tingting; Yu, Zhengkun","Diruthenium(ii)-NNN pincer complex catalysts for transfer hydrogenation of ketones.","Dalton transactions (Cambridge, England : 2003)","2016","45","44","17843","17849","10.1039/c6dt03620a","","","0.71073","MoKα","","0.0748","0.0566","","","0.1347","0.1427","","","","","","1.078","","","","has coordinates","190192","2020-10-21","18:00:00",""
"7040849","11.939","0.0007","18.9599","0.0007","20.3416","0.0007","90","","98.957","0.005","90","","4548.4","0.4","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C50 H41 Cl N5 P2 Ru -","- C50 H41 Cl N5 P2 Ru -","- C200 H164 Cl4 N20 P8 Ru4 -","4","1","","Chai, Huining; Wang, Qingfu; Liu, Tingting; Yu, Zhengkun","Diruthenium(ii)-NNN pincer complex catalysts for transfer hydrogenation of ketones.","Dalton transactions (Cambridge, England : 2003)","2016","45","44","17843","17849","10.1039/c6dt03620a","","","0.71073","MoKα","","0.1421","0.0887","","","0.2085","0.2302","","","","","","1.068","","","","has coordinates","190192","2020-10-21","18:00:00",""
"7040850","21.4114","0.0006","13.9998","0.0002","18.296","0.0005","90","","122.681","0.001","90","","4616.1","0.2","173","2","173","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C44 H84 Fe N2 O2 P2 -","- C44.01 H84 Fe N1.98 O2.01 P2 -","- C176.04 H336 Fe4 N7.92 O8.04 P8 -","4","0.5","","Lang, Georgette M.; Skaper, Dirk; Hampel, Frank; Gladysz, John A.","Synthesis, reactivity, structures, and dynamic properties of gyroscope like iron complexes with dibridgehead diphosphine cages: pre- vs. post-metathesis substitutions as routes to adducts with neutral dipolar Fe(CO)(NO)(X) rotors.","Dalton transactions (Cambridge, England : 2003)","2016","45","41","16190","16204","10.1039/c6dt03258c","","","0.71073","MoKα","","0.0464","0.0346","","","0.09","0.096","","","","","","0.984","","","","has coordinates","188168","2020-10-21","18:00:00",""
"7040851","21.219","0.0008","13.966","0.0008","18.1727","0.0002","90","","121.002","0.004","90","","4616.1","0.4","173","2","173","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C43 H84 Br Fe N O2 P2 -","- C43 H84 Br0.99 Fe N O2 P2 -","- C172 H336 Br3.96 Fe4 N4 O8 P8 -","4","0.5","","Lang, Georgette M.; Skaper, Dirk; Hampel, Frank; Gladysz, John A.","Synthesis, reactivity, structures, and dynamic properties of gyroscope like iron complexes with dibridgehead diphosphine cages: pre- vs. post-metathesis substitutions as routes to adducts with neutral dipolar Fe(CO)(NO)(X) rotors.","Dalton transactions (Cambridge, England : 2003)","2016","45","41","16190","16204","10.1039/c6dt03258c","","","0.71073","MoKα","","0.0857","0.0613","","","0.1595","0.1774","","","","","","1.026","","","","has coordinates","188168","2020-10-21","18:00:00",""
"7040852","21.4367","0.0004","13.8586","0.0004","18.3518","0.0005","90","","122.459","0.001","90","","4600.3","0.2","173","2","173","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C43 H84 Cl Fe N O2 P2 -","- C43 H84 Cl0.99 Fe N O2 P2 -","- C172 H336 Cl3.96 Fe4 N4 O8 P8 -","4","0.5","","Lang, Georgette M.; Skaper, Dirk; Hampel, Frank; Gladysz, John A.","Synthesis, reactivity, structures, and dynamic properties of gyroscope like iron complexes with dibridgehead diphosphine cages: pre- vs. post-metathesis substitutions as routes to adducts with neutral dipolar Fe(CO)(NO)(X) rotors.","Dalton transactions (Cambridge, England : 2003)","2016","45","41","16190","16204","10.1039/c6dt03258c","","","0.71073","MoKα","","0.0648","0.0503","","","0.1496","0.1612","","","","","","1.062","","","","has coordinates","188168","2020-10-21","18:00:00",""
"7040853","15.3157","0.0011","12.5538","0.0009","17.5443","0.0012","90","","105.303","0.0018","90","","3253.6","0.4","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C30 H57 Ir O2 P2 -","- C30 H57 Ir O2 P2 -","- C120 H228 Ir4 O8 P8 -","4","1","","Han, D.; Joksch, M.; Klahn, M.; Spannenberg, A.; Drexler, H.-J.; Baumann, W.; Jiao, H.; Knitsch, R.; Hansen, M. R.; Eckert, H.; Beweries, T.","Iridium(iii) hydrido complexes for the catalytic dehydrogenation of hydrazine borane.","Dalton transactions (Cambridge, England : 2003)","2016","45","44","17697","17704","10.1039/c6dt03068h","","","0.71073","MoKα","","0.0238","0.0202","","","0.0453","0.0472","","","","","","1.062","","","","has coordinates","190172","2020-10-21","18:00:00",""
"7040854","8.1246","0.0004","33.5291","0.0015","11.6849","0.0005","90","","107.509","0.0013","90","","3035.6","0.2","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C26 H44 Cl Ir O6 P2 -","- C26 H44 Cl Ir O6 P2 -","- C104 H176 Cl4 Ir4 O24 P8 -","4","1","","Han, D.; Joksch, M.; Klahn, M.; Spannenberg, A.; Drexler, H.-J.; Baumann, W.; Jiao, H.; Knitsch, R.; Hansen, M. R.; Eckert, H.; Beweries, T.","Iridium(iii) hydrido complexes for the catalytic dehydrogenation of hydrazine borane.","Dalton transactions (Cambridge, England : 2003)","2016","45","44","17697","17704","10.1039/c6dt03068h","","","0.71073","MoKα","","0.0595","0.0342","","","0.0588","0.0662","","","","","","1.006","","","","has coordinates","190172","2020-10-21","18:00:00",""
"7040855","40.862","0.002","40.862","0.002","11.1596","0.0007","90","","90","","120","","16136.8","1.5","150","2","150","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C26 H49 Ir N2 O6 P2 -","- C26 H49 Ir N2 O6 P2 -","- C468 H882 Ir18 N36 O108 P36 -","18","1","","Han, D.; Joksch, M.; Klahn, M.; Spannenberg, A.; Drexler, H.-J.; Baumann, W.; Jiao, H.; Knitsch, R.; Hansen, M. R.; Eckert, H.; Beweries, T.","Iridium(iii) hydrido complexes for the catalytic dehydrogenation of hydrazine borane.","Dalton transactions (Cambridge, England : 2003)","2016","45","44","17697","17704","10.1039/c6dt03068h","","","0.71073","MoKα","","0.0383","0.0301","","","0.0794","0.0831","","","","","","1.069","","","","has coordinates","190172","2020-10-21","18:00:00",""
"7040856","10.5142","0.0005","18.0091","0.0009","16.4272","0.0009","90","","107.797","0.002","90","","2961.7","0.3","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C26 H44 O6 P2 -","- C26 H44 O6 P2 -","- C104 H176 O24 P8 -","4","1","","Han, D.; Joksch, M.; Klahn, M.; Spannenberg, A.; Drexler, H.-J.; Baumann, W.; Jiao, H.; Knitsch, R.; Hansen, M. R.; Eckert, H.; Beweries, T.","Iridium(iii) hydrido complexes for the catalytic dehydrogenation of hydrazine borane.","Dalton transactions (Cambridge, England : 2003)","2016","45","44","17697","17704","10.1039/c6dt03068h","","","0.71073","MoKα","","0.0517","0.0399","","","0.1017","0.1118","","","","","","1.031","","","","has coordinates","190172","2020-10-21","18:00:00",""
"7040857","22.2955","0.001","14.4552","0.0006","35.1699","0.0016","90","","94.478","0.001","90","","11300.2","0.9","173","2","173","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C92 H126 Dy2 Mn8 N18 O38 -","- C92 H126 Dy2 Mn8 N18 O38 -","- C368 H504 Dy8 Mn32 N72 O152 -","4","0.5","","Wang, Hui-Sheng; Yang, Feng-Jun; Long, Qiao-Qiao; Huang, Zhi-Yong; Chen, Wei; Pan, Zhi-Quan; Song, You","Two unprecedented decanuclear heterometallic [MnMnLn] (Ln = Dy, Tb) complexes displaying relaxation of magnetization.","Dalton transactions (Cambridge, England : 2003)","2016","45","45","18221","18228","10.1039/c6dt02945k","","","0.71073","MoKα","","0.082","0.0427","","","0.0764","0.0839","","","","","","1.005","","","","has coordinates,has disorder","190148","2020-10-21","18:00:00",""
"7040858","22.295","0.0011","14.4491","0.0008","35.1815","0.0018","90","","94.441","0.001","90","","11299.4","1","173","2","173","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C92 H126 Mn8 N18 O38 Tb2 -","- C92 H126 Mn8 N18 O38 Tb2 -","- C368 H504 Mn32 N72 O152 Tb8 -","4","0.5","","Wang, Hui-Sheng; Yang, Feng-Jun; Long, Qiao-Qiao; Huang, Zhi-Yong; Chen, Wei; Pan, Zhi-Quan; Song, You","Two unprecedented decanuclear heterometallic [MnMnLn] (Ln = Dy, Tb) complexes displaying relaxation of magnetization.","Dalton transactions (Cambridge, England : 2003)","2016","45","45","18221","18228","10.1039/c6dt02945k","","","0.71073","MoKα","","0.0684","0.0427","","","0.0837","0.0905","","","","","","1.012","","","","has coordinates,has disorder","190148","2020-10-21","18:00:00",""
"7040859","11.214","0.002","13.3192","0.0011","18.141","0.003","93.526","0.013","90.17","0.015","102.742","0.011","2637.5","0.7","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","","","- C28 H29 N10 O4.5 -","- C28 H28 N10 O4.5 -","- C112 H112 N40 O18 -","4","2","","Illán-Cabeza, Nuria A; Jiménez-Pulido, Sonia B; Hueso-Ureña, Francisco; Peña-Ruiz, Tomás; Quirós-Olozábal, Miguel; Moreno-Carretero, Miguel N","Interactions between 2,4-bis-pteridine-1,5-benzodiazepine and group 12 dihalides: synthesis, spectral and XRD structural studies and theoretical calculations.","Dalton transactions (Cambridge, England : 2003)","2016","45","44","17896","17909","10.1039/c6dt03583c","","","0.71073","MoKα","","0.182","0.083","","","0.2153","0.2867","","","","","","1.006","","","","has coordinates,has disorder","190181","2020-10-21","18:00:00",""
"7040860","13.269","0.005","17.848","0.004","28.167","0.009","90","","90","","90","","6671","4","120","2","120","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C28.5 H32 Cl3 N10 O5.5 Zn -","- C28.5 H29 Cl3 N10 O5.5 Zn -","- C228 H232 Cl24 N80 O44 Zn8 -","8","1","","Illán-Cabeza, Nuria A; Jiménez-Pulido, Sonia B; Hueso-Ureña, Francisco; Peña-Ruiz, Tomás; Quirós-Olozábal, Miguel; Moreno-Carretero, Miguel N","Interactions between 2,4-bis-pteridine-1,5-benzodiazepine and group 12 dihalides: synthesis, spectral and XRD structural studies and theoretical calculations.","Dalton transactions (Cambridge, England : 2003)","2016","45","44","17896","17909","10.1039/c6dt03583c","","x-ray","0.71073","MoKα","","0.1267","0.0688","","","0.1684","0.2034","","","","","","1.02","","","","has coordinates,has disorder","190181","2020-10-21","18:00:00",""
"7040861","13.226","0.0012","17.912","0.003","28.272","0.003","90","","90","","90","","6697.8","1.5","120","2","120","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C29 H30 Br2 Cl2 N10 O4 Zn -","- C29 H30 Br2 Cl2 N10 O4 Zn -","- C232 H240 Br16 Cl16 N80 O32 Zn8 -","8","1","","Illán-Cabeza, Nuria A; Jiménez-Pulido, Sonia B; Hueso-Ureña, Francisco; Peña-Ruiz, Tomás; Quirós-Olozábal, Miguel; Moreno-Carretero, Miguel N","Interactions between 2,4-bis-pteridine-1,5-benzodiazepine and group 12 dihalides: synthesis, spectral and XRD structural studies and theoretical calculations.","Dalton transactions (Cambridge, England : 2003)","2016","45","44","17896","17909","10.1039/c6dt03583c","","","0.71073","MoKα","","0.0863","0.0527","","","0.1063","0.1196","","","","","","1.042","","","","has coordinates","190181","2020-10-21","18:00:00",""
"7040862","13.5741","0.0011","18.296","0.003","28.833","0.005","90","","90","","90","","7160.7","1.8","120","2","120","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C31 H32.5 I2 N11.5 O4 Zn -","- C31 H32.5 I2 N11.5 O4 Zn -","- C248 H260 I16 N92 O32 Zn8 -","8","1","","Illán-Cabeza, Nuria A; Jiménez-Pulido, Sonia B; Hueso-Ureña, Francisco; Peña-Ruiz, Tomás; Quirós-Olozábal, Miguel; Moreno-Carretero, Miguel N","Interactions between 2,4-bis-pteridine-1,5-benzodiazepine and group 12 dihalides: synthesis, spectral and XRD structural studies and theoretical calculations.","Dalton transactions (Cambridge, England : 2003)","2016","45","44","17896","17909","10.1039/c6dt03583c","","","0.71073","MoKα","","0.0856","0.0524","","","0.1244","0.1404","","","","","","1.058","","","","has coordinates","190181","2020-10-21","18:00:00",""
"7040863","14.9882","0.0012","15.329","0.004","14.0635","0.0018","90","","90","","90","","3231.1","1","120","2","120","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C28 H28 Cd I2 N10 O4 -","- C28 H28 Cd I2 N10 O4 -","- C112 H112 Cd4 I8 N40 O16 -","4","1","","Illán-Cabeza, Nuria A; Jiménez-Pulido, Sonia B; Hueso-Ureña, Francisco; Peña-Ruiz, Tomás; Quirós-Olozábal, Miguel; Moreno-Carretero, Miguel N","Interactions between 2,4-bis-pteridine-1,5-benzodiazepine and group 12 dihalides: synthesis, spectral and XRD structural studies and theoretical calculations.","Dalton transactions (Cambridge, England : 2003)","2016","45","44","17896","17909","10.1039/c6dt03583c","","","0.71073","MoKα","","0.0594","0.0404","","","0.0995","0.1149","","","","","","0.996","","","","has coordinates","190181","2020-10-21","18:00:00",""
"7040864","15.031","0.005","15.388","0.005","14.032","0.005","90","","90","","90","","3245.6","1.9","120","2","120","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C28 H28 Hg I2 N10 O4 -","- C28 H28 Hg I2 N10 O4 -","- C112 H112 Hg4 I8 N40 O16 -","4","1","","Illán-Cabeza, Nuria A; Jiménez-Pulido, Sonia B; Hueso-Ureña, Francisco; Peña-Ruiz, Tomás; Quirós-Olozábal, Miguel; Moreno-Carretero, Miguel N","Interactions between 2,4-bis-pteridine-1,5-benzodiazepine and group 12 dihalides: synthesis, spectral and XRD structural studies and theoretical calculations.","Dalton transactions (Cambridge, England : 2003)","2016","45","44","17896","17909","10.1039/c6dt03583c","","","0.71073","MoKα","","0.0509","0.0352","","","0.0835","0.0936","","","","","","0.916","","","","has coordinates","190181","2020-10-21","18:00:00",""
"7040865","11.257","0.002","16.968","0.002","19.5916","0.0016","90","","101.889","0.009","90","","3661.9","0.8","120","2","120","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C60 H62 Hg3 I6 N22 O8 -","- C60 H62 Hg3 I6 N22 O8 -","- C120 H124 Hg6 I12 N44 O16 -","2","0.5","","Illán-Cabeza, Nuria A; Jiménez-Pulido, Sonia B; Hueso-Ureña, Francisco; Peña-Ruiz, Tomás; Quirós-Olozábal, Miguel; Moreno-Carretero, Miguel N","Interactions between 2,4-bis-pteridine-1,5-benzodiazepine and group 12 dihalides: synthesis, spectral and XRD structural studies and theoretical calculations.","Dalton transactions (Cambridge, England : 2003)","2016","45","44","17896","17909","10.1039/c6dt03583c","","","0.71073","MoKα","","0.0664","0.0376","","","0.0854","0.0972","","","","","","1.126","","","","has coordinates","190181","2020-10-21","18:00:00",""
"7040866","14.8978","0.0019","15.081","0.003","13.166","0.003","90","","90","","90","","2958.1","1","120","2","120","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C28 H28 Cd Cl2 N10 O4 -","- C28 H28 Cd Cl2 N10 O4 -","- C112 H112 Cd4 Cl8 N40 O16 -","4","1","","Illán-Cabeza, Nuria A; Jiménez-Pulido, Sonia B; Hueso-Ureña, Francisco; Peña-Ruiz, Tomás; Quirós-Olozábal, Miguel; Moreno-Carretero, Miguel N","Interactions between 2,4-bis-pteridine-1,5-benzodiazepine and group 12 dihalides: synthesis, spectral and XRD structural studies and theoretical calculations.","Dalton transactions (Cambridge, England : 2003)","2016","45","44","17896","17909","10.1039/c6dt03583c","","","0.71073","MoKα","","0.0832","0.0487","","","0.1111","0.1288","","","","","","0.994","","","","has coordinates","190181","2020-10-21","18:00:00",""
"7040867","42.075","0.008","46.492","0.009","14.649","0.003","90","","90","","90","","28656","10","150","2","150","2","","","","","","","","7","P n m a","-P 2ac 2n","62","","","","- C180 H330 Cl6 Mn24 N20 O90 P26 -","- C180.02 H288.02 Cl6 Mn24 N20.004 O90 P26 -","- C720.08 H1152.08 Cl24 Mn96 N80.016 O360 P104 -","4","0.5","","Zhang, Lei; Chimamkpam, Theresa; Onet, Camelia I.; Zhu, Nianyong; Clérac, Rodolphe; Schmitt, Wolfgang","Anion-directed supramolecular chemistry modulating the magnetic properties of nanoscopic Mn coordination clusters: from polynuclear high-spin complexes to SMMs.","Dalton transactions (Cambridge, England : 2003)","2016","45","44","17705","17713","10.1039/c6dt02642g","","","0.71073","MoKα","","0.1203","0.0768","","","0.1667","0.1894","","","","","","1.037","","","","has coordinates,has disorder","190188","2020-10-21","18:00:00",""
"7040868","25.261","0.005","29.077","0.006","30.46","0.006","90","","111.77","0.03","90","","20778","8","150","2","150","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C126 H232 Cl5 Mn19 N18 O65 P18 -","- C126 H192 Cl5 Mn19 N18 O65 P18 -","- C504 H768 Cl20 Mn76 N72 O260 P72 -","4","1","","Zhang, Lei; Chimamkpam, Theresa; Onet, Camelia I.; Zhu, Nianyong; Clérac, Rodolphe; Schmitt, Wolfgang","Anion-directed supramolecular chemistry modulating the magnetic properties of nanoscopic Mn coordination clusters: from polynuclear high-spin complexes to SMMs.","Dalton transactions (Cambridge, England : 2003)","2016","45","44","17705","17713","10.1039/c6dt02642g","","","0.71073","MoKα","","0.144","0.0984","","","0.2015","0.2188","","","","","","1.114","","","","has coordinates","190188","2020-10-21","18:00:00",""
"7040869","15.503","0.003","23.446","0.005","33.878","0.007","92.11","0.03","95.61","0.03","108.02","0.03","11625","5","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C132 H238 Cl7 Mn21 N18 O67 P18 -","- C132 H202 Cl7 Mn21 N18 O67 P18 -","- C264 H404 Cl14 Mn42 N36 O134 P36 -","2","1","","Zhang, Lei; Chimamkpam, Theresa; Onet, Camelia I.; Zhu, Nianyong; Clérac, Rodolphe; Schmitt, Wolfgang","Anion-directed supramolecular chemistry modulating the magnetic properties of nanoscopic Mn coordination clusters: from polynuclear high-spin complexes to SMMs.","Dalton transactions (Cambridge, England : 2003)","2016","45","44","17705","17713","10.1039/c6dt02642g","","","0.71073","MoKα","","0.0825","0.0558","","","0.1531","0.1648","","","","","","1.052","","","","has coordinates","206958","2020-10-21","18:00:00",""
"7040870","17.32","0.003","15.55","0.003","30.118","0.006","90","","105.4","0.03","90","","7820","3","150","2","150","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C76 H190 Cl2 Mn15 N4 O62 P12 -","- C76 H142 Cl2 Mn15 N4 O62 P12 -","- C152 H284 Cl4 Mn30 N8 O124 P24 -","2","0.5","","Zhang, Lei; Chimamkpam, Theresa; Onet, Camelia I.; Zhu, Nianyong; Clérac, Rodolphe; Schmitt, Wolfgang","Anion-directed supramolecular chemistry modulating the magnetic properties of nanoscopic Mn coordination clusters: from polynuclear high-spin complexes to SMMs.","Dalton transactions (Cambridge, England : 2003)","2016","45","44","17705","17713","10.1039/c6dt02642g","","","0.71073","MoKα","","0.0894","0.0616","","","0.1459","0.1568","","","","","","1.032","","","","has coordinates","190188","2020-10-21","18:00:00",""
"7040871","10.392","0.001","12.613","0.001","13.329","0.001","115.424","0.001","108.354","0.001","90.805","0.001","1474.8","0.2","185","2","185","2","","","","","","","","6","P -1","-P 1","2","","","","- C68 H82 Fe N2 Na2 O6 -","- C68 H82 Fe N2 Na2 O6 -","- C68 H82 Fe N2 Na2 O6 -","1","0.5","","Xu, Bin; Ma, Anjie; Jia, Teng; Hao, Zhiqiang; Gao, Wei; Mu, Ying","Synthesis and structural characterization of iron complexes bearing N-aryl-phenanthren-o-iminoquinone ligands.","Dalton transactions (Cambridge, England : 2003)","2016","45","44","17966","17973","10.1039/c6dt03572h","","","0.71073","MoKα","","0.0785","0.0533","","","0.1228","0.1361","","","","","","1.01","","","","has coordinates","190189","2020-10-21","18:00:00",""
"7040872","12.41","0.004","20.623","0.006","25.136","0.007","90","","102.669","0.006","90","","6276","3","185","2","185","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C78 H76 Fe N3 O3 -","- C78 H76 Fe N3 O3 -","- C312 H304 Fe4 N12 O12 -","4","1","","Xu, Bin; Ma, Anjie; Jia, Teng; Hao, Zhiqiang; Gao, Wei; Mu, Ying","Synthesis and structural characterization of iron complexes bearing N-aryl-phenanthren-o-iminoquinone ligands.","Dalton transactions (Cambridge, England : 2003)","2016","45","44","17966","17973","10.1039/c6dt03572h","","","0.71073","MoKα","","0.0861","0.0526","","","0.1233","0.1404","","","","","","0.993","","","","has coordinates","190189","2020-10-21","18:00:00",""
"7040873","13.3556","0.0008","14.2676","0.0008","14.3243","0.0008","63.667","0.001","66.63","0.001","68.479","0.001","2184.3","0.2","184.65","","184.65","","","","","","","","","6","P -1","-P 1","2","","","","- C95 H76 Cl10 Fe4 N4 O4 -","- C95 H76 Cl10 Fe4 N4 O4 -","- C95 H76 Cl10 Fe4 N4 O4 -","1","0.5","","Xu, Bin; Ma, Anjie; Jia, Teng; Hao, Zhiqiang; Gao, Wei; Mu, Ying","Synthesis and structural characterization of iron complexes bearing N-aryl-phenanthren-o-iminoquinone ligands.","Dalton transactions (Cambridge, England : 2003)","2016","45","44","17966","17973","10.1039/c6dt03572h","","","0.71073","MoKα","","0.0724","0.0488","","","0.1101","0.1227","","","","","","1.015","","","","has coordinates,has disorder","190189","2020-10-21","18:00:00",""
"7040874","16.5932","0.0013","13.058","0.001","20.9718","0.0017","90","","107.015","0.002","90","","4345.1","0.6","185","2","185","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C52 H50 Cl Fe N2 O2 -","- C52 H50 Cl Fe N2 O2 -","- C208 H200 Cl4 Fe4 N8 O8 -","4","1","","Xu, Bin; Ma, Anjie; Jia, Teng; Hao, Zhiqiang; Gao, Wei; Mu, Ying","Synthesis and structural characterization of iron complexes bearing N-aryl-phenanthren-o-iminoquinone ligands.","Dalton transactions (Cambridge, England : 2003)","2016","45","44","17966","17973","10.1039/c6dt03572h","","","0.71073","MoKα","","0.108","0.0598","","","0.0965","0.1121","","","","","","1","","","","has coordinates","190189","2020-10-21","18:00:00",""
"7040875","13.511","0.003","19.197","0.004","17.181","0.003","90","","108.8","0.03","90","","4218.5","1.7","158","2","158","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C52 H50 Cl Fe N2 O4 -","- C52 H50 Cl Fe N2 O4 -","- C208 H200 Cl4 Fe4 N8 O16 -","4","1","","Xu, Bin; Ma, Anjie; Jia, Teng; Hao, Zhiqiang; Gao, Wei; Mu, Ying","Synthesis and structural characterization of iron complexes bearing N-aryl-phenanthren-o-iminoquinone ligands.","Dalton transactions (Cambridge, England : 2003)","2016","45","44","17966","17973","10.1039/c6dt03572h","","","0.71073","MoKα","","0.0861","0.0635","","","0.1685","0.2001","","","","","","1.086","","","","has coordinates","190189","2020-10-21","18:00:00",""
"7040876","8.0128","0.0008","9.8962","0.001","10.5912","0.001","92.344","0.008","108.659","0.009","104.967","0.009","761.67","0.14","104.1","","104.1","","","","","","","","","4","P -1","-P 1","2","","","","- C7 H9 N15 O6 -","- C7 H9 N15 O6 -","- C14 H18 N30 O12 -","2","1","","Li, Chuan; Zhang, Man; Chen, Qishan; Li, Yingying; Gao, Huiqi; Fu, Wei; Zhou, Zhiming","1-(3,5-Dinitro-1H-pyrazol-4-yl)-3-nitro-1H-1,2,4-triazol-5-amine (HCPT) and its energetic salts: highly thermally stable energetic materials with high-performance.","Dalton transactions (Cambridge, England : 2003)","2016","45","44","17956","17965","10.1039/c6dt03748h","","","0.7107","MoKα","","0.0516","0.0404","","","0.0862","0.0945","","","","","","1.054","","","","has coordinates","190171","2020-10-21","18:00:00",""
"7040877","7.3978","0.0006","10.4201","0.0008","10.9154","0.0007","112.439","0.007","95.97","0.006","99.09","0.006","755.4","0.11","104.4","","104.4","","","","","","","","","4","P -1","-P 1","2","","","","- C6 H11 N15 O6 -","- C6 H11 N15 O6 -","- C12 H22 N30 O12 -","2","1","","Li, Chuan; Zhang, Man; Chen, Qishan; Li, Yingying; Gao, Huiqi; Fu, Wei; Zhou, Zhiming","1-(3,5-Dinitro-1H-pyrazol-4-yl)-3-nitro-1H-1,2,4-triazol-5-amine (HCPT) and its energetic salts: highly thermally stable energetic materials with high-performance.","Dalton transactions (Cambridge, England : 2003)","2016","45","44","17956","17965","10.1039/c6dt03748h","","","0.7107","MoKα","","0.0512","0.0393","","","0.0921","0.1001","","","","","","1.041","","","","has coordinates","190171","2020-10-21","18:00:00",""
"7040878","8.2011","0.0016","11.917","0.002","14.159","0.003","89.83","0.03","76.32","0.03","87.38","0.03","1343.1","0.5","293.15","","293.15","","","","","","","","","4","P -1","-P 1","2","","","","- C6 H7 N9 O7 -","- C6 H7 N9 O7 -","- C24 H28 N36 O28 -","4","2","","Li, Chuan; Zhang, Man; Chen, Qishan; Li, Yingying; Gao, Huiqi; Fu, Wei; Zhou, Zhiming","1-(3,5-Dinitro-1H-pyrazol-4-yl)-3-nitro-1H-1,2,4-triazol-5-amine (HCPT) and its energetic salts: highly thermally stable energetic materials with high-performance.","Dalton transactions (Cambridge, England : 2003)","2016","45","44","17956","17965","10.1039/c6dt03748h","","","0.71073","MoKα","","0.1639","0.1492","","","0.3894","0.4018","","","","","","1.106","","","","has coordinates","190171","2020-10-21","18:00:00",""
"7040879","7.6352","0.0015","9.2541","0.0019","9.994","0.002","103.05","0.03","100.98","0.03","101.31","0.03","653.9","0.3","153.15","","153.15","","","","","","","","","5","P -1","-P 1","2","","","","- C12 H16 Cu N18 O16 -","- C12 H16 Cu N18 O16 -","- C12 H16 Cu N18 O16 -","1","0.5","","Li, Chuan; Zhang, Man; Chen, Qishan; Li, Yingying; Gao, Huiqi; Fu, Wei; Zhou, Zhiming","1-(3,5-Dinitro-1H-pyrazol-4-yl)-3-nitro-1H-1,2,4-triazol-5-amine (HCPT) and its energetic salts: highly thermally stable energetic materials with high-performance.","Dalton transactions (Cambridge, England : 2003)","2016","45","44","17956","17965","10.1039/c6dt03748h","","","0.71073","MoKα","","0.039","0.0366","","","0.1032","0.1178","","","","","","1.206","","","","has coordinates,has disorder","190171","2020-10-21","18:00:00",""
"7040880","13.1891","0.0006","10.685","0.0006","6.6081","0.0003","90","","90","","90","","931.25","0.08","296","2","296","2","","","","","","","","5","P n n a","-P 2a 2bc","52","","","","- Co F H3 O5 S -","- Co F H3 O5 S -","- Co8 F8 H24 O40 S8 -","8","1","","Marri, Subba R.; Kumar, Jitendra; Panyarat, Kitt; Horike, Satoshi; Behera, J. N.","Kagome-type isostructural 3D-transition metal fluorosulfates with spin 3/2 and 1: synthesis, structure and characterization.","Dalton transactions (Cambridge, England : 2003)","2016","45","44","17792","17797","10.1039/c6dt03173k","","","0.71073","MoKα","","0.0563","0.0541","","","0.1241","0.1248","","","","","","1.408","","","","has coordinates,has disorder","190183","2020-10-21","18:00:00",""
"7040881","13.0149","0.0003","10.6079","0.0003","6.5455","0.0002","90","","90","","90","","903.68","0.04","296","2","296","2","","","","","","","","5","P n n a","-P 2a 2bc","52","","","","- F H3 Ni O5 S -","- F H3 Ni O5 S -","- F8 H24 Ni8 O40 S8 -","8","1","","Marri, Subba R.; Kumar, Jitendra; Panyarat, Kitt; Horike, Satoshi; Behera, J. N.","Kagome-type isostructural 3D-transition metal fluorosulfates with spin 3/2 and 1: synthesis, structure and characterization.","Dalton transactions (Cambridge, England : 2003)","2016","45","44","17792","17797","10.1039/c6dt03173k","","","0.71073","MoKα","","0.0572","0.0503","","","0.1143","0.1164","","","","","","1.359","","","","has coordinates,has disorder","190183","2020-10-21","18:00:00",""
"7040882","9.6914","0.0009","17.9225","0.0016","13.0999","0.0012","90","","109.831","0.01","90","","2140.4","0.4","293","2","293.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H19.5 Ag4 N4 O14.75 -","- C12 H19.5 Ag4 N4 O14.75 -","- C48 H78 Ag16 N16 O59 -","4","1","","Dong, Xi-Yan; Li, Xue; Li, Bo; Zhu, Yan-Yan; Zang, Shuang-Quan; Tang, Ming-Sheng","Water sandwiched by a pair of aromatic rings in a proton-conducting metal-organic framework.","Dalton transactions (Cambridge, England : 2003)","2016","45","45","18142","18146","10.1039/c6dt03632e","","","0.71073","MoKα","","0.0516","0.0395","","","0.0908","0.0977","","","","","","1.083","","","","has coordinates","190149","2020-10-21","18:00:00",""
"7040883","9.4677","0.0012","12.1398","0.0015","14.1647","0.0018","68.662","0.002","88.554","0.002","82.884","0.002","1504.4","0.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C35 H41 N2 O P -","- C35 H41 N2 O P -","- C70 H82 N4 O2 P2 -","2","1","","Rad'kova, Natalia Yu; Tolpygin, Aleksei O.; Rad'kov, Vasily Yu; Khamaletdinova, Nadia M.; Cherkasov, Anton V.; Fukin, Georgi K.; Trifonov, Alexander A.","Bis(alkyl) rare-earth complexes coordinated by bulky tridentate amidinate ligands bearing pendant Ph2P[double bond, length as m-dash]O and Ph2P[double bond, length as m-dash]NR groups. Synthesis, structures and catalytic activity in stereospecific isoprene polymerization.","Dalton transactions (Cambridge, England : 2003)","2016","45","46","18572","18584","10.1039/c6dt03074b","","","0.71073","MoKα","","0.0648","0.047","","","0.1142","0.1237","","","","","","1.032","","","","has coordinates","190103","2020-10-21","18:00:00",""
"7040884","12.02608","0.00014","12.31192","0.00017","19.7345","0.0003","107.364","0.0012","90.2711","0.001","115.736","0.0012","2481.34","0.07","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C50 H70 Er N2 O P Si2 -","- C50 H70 Er N2 O P Si2 -","- C100 H140 Er2 N4 O2 P2 Si4 -","2","1","","Rad'kova, Natalia Yu; Tolpygin, Aleksei O.; Rad'kov, Vasily Yu; Khamaletdinova, Nadia M.; Cherkasov, Anton V.; Fukin, Georgi K.; Trifonov, Alexander A.","Bis(alkyl) rare-earth complexes coordinated by bulky tridentate amidinate ligands bearing pendant Ph2P[double bond, length as m-dash]O and Ph2P[double bond, length as m-dash]NR groups. Synthesis, structures and catalytic activity in stereospecific isoprene polymerization.","Dalton transactions (Cambridge, England : 2003)","2016","45","46","18572","18584","10.1039/c6dt03074b","","","0.71073","MoKα","","0.0285","0.0241","","","0.057","0.059","","","","","","1.061","","","","has coordinates","190103","2020-10-21","18:00:00",""
"7040885","12.05","0.002","12.305","0.003","19.732","0.004","107.281","0.004","90.382","0.004","116.065","0.004","2477.3","0.9","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C50 H70 Lu N2 O P Si2 -","- C50 H70 Lu N2 O P Si2 -","- C100 H140 Lu2 N4 O2 P2 Si4 -","2","1","","Rad'kova, Natalia Yu; Tolpygin, Aleksei O.; Rad'kov, Vasily Yu; Khamaletdinova, Nadia M.; Cherkasov, Anton V.; Fukin, Georgi K.; Trifonov, Alexander A.","Bis(alkyl) rare-earth complexes coordinated by bulky tridentate amidinate ligands bearing pendant Ph2P[double bond, length as m-dash]O and Ph2P[double bond, length as m-dash]NR groups. Synthesis, structures and catalytic activity in stereospecific isoprene polymerization.","Dalton transactions (Cambridge, England : 2003)","2016","45","46","18572","18584","10.1039/c6dt03074b","","","0.71073","MoKα","","0.0463","0.0389","","","0.0811","0.0829","","","","","","1.121","","","","has coordinates,has disorder","190103","2020-10-21","18:00:00",""
"7040886","8.9819","0.0001","29.7023","0.0003","11.5608","0.0001","90","","96.1","0.001","90","","3066.76","0.05","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C37 H38 N3 P -","- C37 H38 N3 P -","- C148 H152 N12 P4 -","4","1","","Rad'kova, Natalia Yu; Tolpygin, Aleksei O.; Rad'kov, Vasily Yu; Khamaletdinova, Nadia M.; Cherkasov, Anton V.; Fukin, Georgi K.; Trifonov, Alexander A.","Bis(alkyl) rare-earth complexes coordinated by bulky tridentate amidinate ligands bearing pendant Ph2P[double bond, length as m-dash]O and Ph2P[double bond, length as m-dash]NR groups. Synthesis, structures and catalytic activity in stereospecific isoprene polymerization.","Dalton transactions (Cambridge, England : 2003)","2016","45","46","18572","18584","10.1039/c6dt03074b","","","0.71073","MoKα","","0.0486","0.0397","","","0.0989","0.1031","","","","","","1.018","","","","has coordinates","190103","2020-10-21","18:00:00",""
"7040887","11.5972","0.0003","23.2241","0.0005","18.9698","0.0005","90","","90.183","0.002","90","","5109.2","0.2","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C52 H67 N3 P Si2 Y -","- C52 H67 N3 P Si2 Y -","- C208 H268 N12 P4 Si8 Y4 -","4","1","","Rad'kova, Natalia Yu; Tolpygin, Aleksei O.; Rad'kov, Vasily Yu; Khamaletdinova, Nadia M.; Cherkasov, Anton V.; Fukin, Georgi K.; Trifonov, Alexander A.","Bis(alkyl) rare-earth complexes coordinated by bulky tridentate amidinate ligands bearing pendant Ph2P[double bond, length as m-dash]O and Ph2P[double bond, length as m-dash]NR groups. Synthesis, structures and catalytic activity in stereospecific isoprene polymerization.","Dalton transactions (Cambridge, England : 2003)","2016","45","46","18572","18584","10.1039/c6dt03074b","","","0.71073","MoKα","","0.077","0.0487","","","0.1172","0.1269","","","","","","1.062","","","","has coordinates","190103","2020-10-21","18:00:00",""
"7040888","15.6776","0.0012","13.167","0.0011","16.6228","0.0017","90","","118.742","0.005","90","","3008.6","0.5","296","2","296","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C26 H44 F Fe I N P3 -","- C26 H44 F Fe I N P3 -","- C104 H176 F4 Fe4 I4 N4 P12 -","4","1","","Wang, Lin; Sun, Hongjian; Li, Xiaoyan; Fuhr, Olaf; Fenske, Dieter","The selective activation of a C-F bond with an auxiliary strong Lewis acid: a method to change the activation preference of C-F and C-H bonds.","Dalton transactions (Cambridge, England : 2003)","2016","45","45","18133","18141","10.1039/c6dt03235d","","","0.71073","MoKα","","0.0957","0.0624","","","0.1558","0.1778","","","","","","1.084","","","","has coordinates","190155","2020-10-21","18:00:00",""
"7040889","11.7534","0.001","19.4894","0.0016","14.8134","0.0012","90","","93.766","0.001","90","","3385.9","0.5","296","2","296","2","","","","","","","","9","P 1 21/n 1","-P 2yn","14","","","","- C25 H44 B Cl0 F6 Fe N O0 P4 -","- C25 H44 B F6 Fe N P4 -","- C100 H176 B4 F24 Fe4 N4 P16 -","4","1","","Wang, Lin; Sun, Hongjian; Li, Xiaoyan; Fuhr, Olaf; Fenske, Dieter","The selective activation of a C-F bond with an auxiliary strong Lewis acid: a method to change the activation preference of C-F and C-H bonds.","Dalton transactions (Cambridge, England : 2003)","2016","45","45","18133","18141","10.1039/c6dt03235d","","","0.71073","MoKα","","0.0456","0.0352","","","0.1014","0.1135","","","","","","0.541","","","","has coordinates","190155","2020-10-21","18:00:00",""
"7040890","8.9625","0.0003","33.2859","0.0013","9.019","0.0003","90","","95.341","0.003","90","","2678.91","0.16","153.15","","153.15","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C23 H38 Br F Fe N P3 -","- C23 H38 Br F Fe N P3 -","- C92 H152 Br4 F4 Fe4 N4 P12 -","4","1","","Wang, Lin; Sun, Hongjian; Li, Xiaoyan; Fuhr, Olaf; Fenske, Dieter","The selective activation of a C-F bond with an auxiliary strong Lewis acid: a method to change the activation preference of C-F and C-H bonds.","Dalton transactions (Cambridge, England : 2003)","2016","45","45","18133","18141","10.1039/c6dt03235d","","x-ray","0.71073","MoKα","","0.0594","0.0533","","","0.1477","0.1544","","","","","","1.079","","","","has coordinates,has disorder","190155","2020-10-21","18:00:00",""
"7040891","10.1537","0.0006","9.6892","0.0007","19.2381","0.0013","90","","94.323","0.003","90","","1887.3","0.2","140","2","140","2","","","","","","","","4","P 1 c 1","P -2yc","7","","","","- C45 H38 N6 P2 -","- C45 H38 N6 P2 -","- C90 H76 N12 P4 -","2","1","","Portius, Peter; Davis, Martin","Synthesis of six-coordinate mono-, bis-, and tris(tetrazolato) complexes via [3 + 2] cycloadditions of nitriles to silicon-bound azido ligands.","Dalton transactions (Cambridge, England : 2003)","2016","45","43","17141","17152","10.1039/c6dt02867e","","","0.71073","MoKα","","0.0271","0.0257","","","0.0655","0.0665","","","","","","1.022","","","","has coordinates","188183","2020-10-21","18:00:00",""
"7040892","22.7377","0.0005","10.3383","0.0002","10.6088","0.0002","90","","99.218","0.001","90","","2461.6","0.09","87","2","87","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C24 H18 N16 Si -","- C24.07 H18.035 N16 Si -","- C96.28 H72.14 N64 Si4 -","4","0.5","","Portius, Peter; Davis, Martin","Synthesis of six-coordinate mono-, bis-, and tris(tetrazolato) complexes via [3 + 2] cycloadditions of nitriles to silicon-bound azido ligands.","Dalton transactions (Cambridge, England : 2003)","2016","45","43","17141","17152","10.1039/c6dt02867e","","","0.71073","MoKα","","0.0552","0.0436","","","0.1192","0.1307","","","","","","1.081","","","","has coordinates,has disorder","188183","2020-10-21","18:00:00",""
"7040893","10.8508","0.0006","24.9343","0.0013","11.6091","0.0006","90","","110.092","0.002","90","","2949.8","0.3","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C28 H25 N17 Si -","- C28 H25 N17 Si -","- C112 H100 N68 Si4 -","4","1","","Portius, Peter; Davis, Martin","Synthesis of six-coordinate mono-, bis-, and tris(tetrazolato) complexes via [3 + 2] cycloadditions of nitriles to silicon-bound azido ligands.","Dalton transactions (Cambridge, England : 2003)","2016","45","43","17141","17152","10.1039/c6dt02867e","","","0.71073","MoKα","","0.099","0.0494","","","0.1019","0.1208","","","","","","1.067","","","","has coordinates","188183","2020-10-21","18:00:00",""
"7040894","11.1045","0.0003","11.9991","0.0004","12.7949","0.0004","96.06","0.001","108.545","0.001","111.168","0.001","1459.66","0.08","100","2","100","2","","","","","","","","4","P 1","P 1","1","","","","- C28 H21 N17 Si -","- C28 H21 N17 Si -","- C56 H42 N34 Si2 -","2","2","","Portius, Peter; Davis, Martin","Synthesis of six-coordinate mono-, bis-, and tris(tetrazolato) complexes via [3 + 2] cycloadditions of nitriles to silicon-bound azido ligands.","Dalton transactions (Cambridge, England : 2003)","2016","45","43","17141","17152","10.1039/c6dt02867e","","","0.71073","MoKα","","0.0377","0.0359","","","0.0977","0.0998","","","","","","1.038","","","","has coordinates","188183","2020-10-21","18:00:00",""
"7040895","11.7941","0.0006","13.5508","0.0006","12.6135","0.0006","90","","104.555","0.002","90","","1951.19","0.16","130","2","130","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C14 H14 N16 Si -","- C14 H14 N16 Si -","- C56 H56 N64 Si4 -","4","0.5","","Portius, Peter; Davis, Martin","Synthesis of six-coordinate mono-, bis-, and tris(tetrazolato) complexes via [3 + 2] cycloadditions of nitriles to silicon-bound azido ligands.","Dalton transactions (Cambridge, England : 2003)","2016","45","43","17141","17152","10.1039/c6dt02867e","","","0.71073","MoKα","","0.0368","0.0316","","","0.0837","0.0876","","","","","","1.041","","","","has coordinates","188183","2020-10-21","18:00:00",""
"7040896","10.876","0.0003","14.5601","0.0004","14.9281","0.0004","90","","110.732","0.002","90","","2210.87","0.11","96","2","96","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H17 N17 Si -","- C16 H17 N17 Si -","- C64 H68 N68 Si4 -","4","1","","Portius, Peter; Davis, Martin","Synthesis of six-coordinate mono-, bis-, and tris(tetrazolato) complexes via [3 + 2] cycloadditions of nitriles to silicon-bound azido ligands.","Dalton transactions (Cambridge, England : 2003)","2016","45","43","17141","17152","10.1039/c6dt02867e","","","0.71073","MoKα","","0.0806","0.0473","","","0.1079","0.1278","","","","","","1.038","","","","has coordinates","188183","2020-10-21","18:00:00",""
"7040897","12.03","0.004","9.833","0.003","13.979","0.004","90","","90","","90","","1653.6","0.9","110","2","110","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C12 H8 N16 Si -","- C12 H8 N16 Si -","- C48 H32 N64 Si4 -","4","0.5","","Portius, Peter; Davis, Martin","Synthesis of six-coordinate mono-, bis-, and tris(tetrazolato) complexes via [3 + 2] cycloadditions of nitriles to silicon-bound azido ligands.","Dalton transactions (Cambridge, England : 2003)","2016","45","43","17141","17152","10.1039/c6dt02867e","","","0.71073","MoKα","","0.0854","0.0442","","","0.0999","0.1212","","","","","","1.069","","","","has coordinates","188183","2020-10-21","18:00:00",""
"7040898","15.485","0.008","15.485","0.008","10.507","0.014","90","","90","","120","","2182","3","293","2","293","2","","","","","","","","4","R 3 :H","R 3","146","","","","- Cd4 Cs Ga5 Te12 -","- Cd4.0005 Cs Ga5.01 Te12 -","- Cd12.0015 Cs3 Ga15.03 Te36 -","3","0.333333","","Lin, Hua; Chen, Hong; Zheng, Yu-Jun; Yu, Ju-Song; Wu, Li-Ming","AXXTe12 (A = Rb, Cs; X(II) = Mn, Zn, Cd; X(III) = Ga, In): quaternary semiconducting tellurides with very low thermal conductivities.","Dalton transactions (Cambridge, England : 2003)","2016","45","44","17606","17609","10.1039/c6dt03630a","","","0.71073","MoKα","","0.0282","0.0255","","","0.0641","0.0648","","","","","","1.013","","","","has coordinates,has disorder","190185","2020-10-21","18:00:00",""
"7040899","15.3432","0.0006","15.3432","0.0006","10.4161","0.0008","90","","90","","120","","2123.6","0.2","293","2","293","2","","","","","","","","4","R 3 :H","R 3","146","","","","- Ga5 Mn4 Rb Te12 -","- Ga4.9998 Mn4.0002 Rb Te12 -","- Ga14.9994 Mn12.0006 Rb3 Te36 -","3","0.333333","","Lin, Hua; Chen, Hong; Zheng, Yu-Jun; Yu, Ju-Song; Wu, Li-Ming","AXXTe12 (A = Rb, Cs; X(II) = Mn, Zn, Cd; X(III) = Ga, In): quaternary semiconducting tellurides with very low thermal conductivities.","Dalton transactions (Cambridge, England : 2003)","2016","45","44","17606","17609","10.1039/c6dt03630a","","","0.71073","MoKα","","0.0294","0.0285","","","0.0665","0.0669","","","","","","1.038","","","","has coordinates","190185","2020-10-21","18:00:00",""
"7040900","15.439","0.008","15.439","0.008","10.477","0.008","90","","90","","120","","2163","2","293","2","293","2","","","","","","","","4","R 3 :H","R 3","146","","","","- Cd4 Ga5 Rb Te12 -","- Cd3.9999 Ga5.01 Rb Te12 -","- Cd11.9997 Ga15.03 Rb3 Te36 -","3","0.333333","","Lin, Hua; Chen, Hong; Zheng, Yu-Jun; Yu, Ju-Song; Wu, Li-Ming","AXXTe12 (A = Rb, Cs; X(II) = Mn, Zn, Cd; X(III) = Ga, In): quaternary semiconducting tellurides with very low thermal conductivities.","Dalton transactions (Cambridge, England : 2003)","2016","45","44","17606","17609","10.1039/c6dt03630a","","","0.71073","MoKα","","0.0201","0.0199","","","0.0497","0.0498","","","","","","1.042","","","","has coordinates,has disorder","190185","2020-10-21","18:00:00",""
"7040901","15.376","0.004","15.376","0.004","10.441","0.004","90","","90","","120","","2137.8","1.1","293","2","293","2","","","","","","","","4","R 3 :H","R 3","146","","","","- Cs Ga5 Mn4 Te12 -","- Cs Ga5.001 Mn3.999 Te12 -","- Cs3 Ga15.003 Mn11.997 Te36 -","3","0.333333","","Lin, Hua; Chen, Hong; Zheng, Yu-Jun; Yu, Ju-Song; Wu, Li-Ming","AXXTe12 (A = Rb, Cs; X(II) = Mn, Zn, Cd; X(III) = Ga, In): quaternary semiconducting tellurides with very low thermal conductivities.","Dalton transactions (Cambridge, England : 2003)","2016","45","44","17606","17609","10.1039/c6dt03630a","","","0.71073","MoKα","","0.0237","0.0232","","","0.0489","0.0491","","","","","","1.036","","","","has coordinates","190185","2020-10-21","18:00:00",""
"7040902","12.0654","0.0003","15.2061","0.0005","15.6909","0.0005","94.737","0.001","91.749","0.001","99.864","0.001","2823.6","0.15","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","(PCNCP)CoBr2","","- C23.25 H43.5 Br2 Cl0.5 Co N P2 -","- C23.25 H43.5 Br2 Cl0.5 Co N P2 -","- C93 H174 Br8 Cl2 Co4 N4 P8 -","4","2","","Shaffer, David W.; Bhowmick, Indrani; Rheingold, Arnold L.; Tsay, Charlene; Livesay, Brooke N.; Shores, Matthew P.; Yang, Jenny Y.","Spin-state diversity in a series of Co(ii) PNP pincer bromide complexes.","Dalton transactions (Cambridge, England : 2003)","2016","45","44","17910","17917","10.1039/c6dt03461f","","","0.71073","MoKα","","0.0354","0.0296","","","0.0721","0.075","","","","","","1.031","","","","has coordinates,has disorder","190190","2020-10-21","18:00:00",""
"7040903","22.5471","0.0016","7.79","0.0006","34.827","0.002","90","","102.912","0.004","90","","5962.4","0.7","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","(PNNNP)CoBr2","","- C23 H47 Br2 Co N3 O P2 -","- C22 H44 Br2 Co N3 O0.5 P2 -","- C176 H352 Br16 Co8 N24 O4 P16 -","8","2","","Shaffer, David W.; Bhowmick, Indrani; Rheingold, Arnold L.; Tsay, Charlene; Livesay, Brooke N.; Shores, Matthew P.; Yang, Jenny Y.","Spin-state diversity in a series of Co(ii) PNP pincer bromide complexes.","Dalton transactions (Cambridge, England : 2003)","2016","45","44","17910","17917","10.1039/c6dt03461f","","","0.71073","MoKα","","0.041","0.0303","","","0.0684","0.0718","","","","","","1.018","","","","has coordinates","190190","2020-10-21","18:00:00",""
"7040904","10.801","0.0013","15.6582","0.0019","16.004","0.0017","98.515","0.003","97.341","0.003","98.331","0.003","2617.6","0.5","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","(PONOP)CoBr2","","- C21 H39 Br2 Co N O2 P2 -","- C21 H39 Br2 Co N O2 P2 -","- C84 H156 Br8 Co4 N4 O8 P8 -","4","2","","Shaffer, David W.; Bhowmick, Indrani; Rheingold, Arnold L.; Tsay, Charlene; Livesay, Brooke N.; Shores, Matthew P.; Yang, Jenny Y.","Spin-state diversity in a series of Co(ii) PNP pincer bromide complexes.","Dalton transactions (Cambridge, England : 2003)","2016","45","44","17910","17917","10.1039/c6dt03461f","","","0.71073","MoKα","","0.0446","0.0297","","","0.0613","0.066","","","","","","1.02","","","","has coordinates","193656","2020-10-21","18:00:00",""
"7040905","16.397","0.007","17.295","0.006","24.416","0.013","88.31","0.03","79.279","0.018","63.2","0.02","6061","5","100","","100","","","","","","","","","8","P -1","-P 1","2","","","","- C64 H64 Cl3 K3 Mo8 N16 O16.5 S16 -","- C64 H64 Cl3 K3 Mo8 N16 O16.5 S16 -","- C128 H128 Cl6 K6 Mo16 N32 O33 S32 -","2","1","","Dolinar, Brian S.; Kozimor, Stosh A.; Berry, John F.","K3[Mo2(SNO5)4Cl]3[Mo2(SNO5)4]: the first example of a heterometallic extended metal atom node (HEMAN).","Dalton transactions (Cambridge, England : 2003)","2016","45","44","17602","17605","10.1039/c6dt03659g","","x-ray","0.71073","MoKα","","0.128","0.0675","","","0.161","0.177","","","","","","0.931","","","","has coordinates,has disorder","190170","2020-10-21","18:00:00",""
"7040906","8.762","0.003","14.296","0.005","26.63","0.008","90","","92.425","0.016","90","","3332.7","1.9","100","","100","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C28.5 H29.5 Cl Mo2 N6.5 O4 S4 -","- C28.5 H29.5 Cl Mo2 N6.5 O4 S4 -","- C114 H118 Cl4 Mo8 N26 O16 S16 -","4","1","","Dolinar, Brian S.; Kozimor, Stosh A.; Berry, John F.","K3[Mo2(SNO5)4Cl]3[Mo2(SNO5)4]: the first example of a heterometallic extended metal atom node (HEMAN).","Dalton transactions (Cambridge, England : 2003)","2016","45","44","17602","17605","10.1039/c6dt03659g","","x-ray","0.71073","MoKα","","0.0569","0.0431","","","0.0995","0.1057","","","","","","1.063","","","","has coordinates,has disorder","190170","2020-10-21","18:00:00",""
"7040907","6.925","0.005","17.917","0.013","14.788","0.011","90","","100.119","0.01","90","","1806","2","173","","173","","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C16 H17 Cl N3 O5.5 Pt -","- C16 H10 Cl N3 O5.85 Pt -","- C64 H40 Cl4 N12 O23.4 Pt4 -","4","1","","Kobayashi, Atsushi; Oizumi, Shiori; Shigeta, Yasuhiro; Yoshida, Masaki; Kato, Masako","Proton-switchable vapochromic behaviour of a platinum(ii)-carboxy-terpyridine complex.","Dalton transactions (Cambridge, England : 2003)","2016","45","43","17485","17494","10.1039/c6dt03189g","","","0.689","synchrotron","","0.0711","0.053","","","0.1254","0.1385","","","","","","1.03","","","","has coordinates","188178","2020-10-21","18:00:00",""
"7040908","7.463","0.006","9.743","0.006","13.044","0.01","69.55","0.04","80.84","0.04","69.53","0.03","831.8","1.1","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C16 H13 Cl2 N3 O3 Pt -","- C16 H11 Cl2 N3 O3 Pt -","- C32 H22 Cl4 N6 O6 Pt2 -","2","1","","Kobayashi, Atsushi; Oizumi, Shiori; Shigeta, Yasuhiro; Yoshida, Masaki; Kato, Masako","Proton-switchable vapochromic behaviour of a platinum(ii)-carboxy-terpyridine complex.","Dalton transactions (Cambridge, England : 2003)","2016","45","43","17485","17494","10.1039/c6dt03189g","","","0.689","synchrotron","","0.0397","0.0351","","","0.0876","0.0915","","","","","","1.016","","","","has coordinates","188178","2020-10-21","18:00:00",""
"7040909","10.7763","0.0003","12.5573","0.0004","19.0092","0.0005","90","","102.469","0.002","90","","2511.67","0.13","100","2","100","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C39 H50 Br2 Cl2 N4 O6 Re2 S4 -","- C39 H50 Br2 Cl2 N4 O6 Re2 S4 -","- C78 H100 Br4 Cl4 N8 O12 Re4 S8 -","2","0.5","","Beltrán, Tomás F; Zaragoza, Guillermo; Delaude, Lionel","Synthesis, characterization, and gas-phase fragmentation of rhenium-carbonyl complexes bearing imidazol(in)ium-2-dithiocarboxylate ligands.","Dalton transactions (Cambridge, England : 2003)","2016","45","45","18346","18355","10.1039/c6dt03428d","","x-ray","0.7107","MoKα","","0.0437","0.0295","","","0.0564","0.06","","","","","","1.012","","","","has coordinates,has disorder","190152","2020-10-21","18:00:00",""
"7040910","11.6006","0.0005","18.0132","0.0007","17.6665","0.0008","90","","91.394","0.003","90","","3690.6","0.3","100","2","100","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C32.4 H38.8 Br Cl2.8 N2 O3 Re S2 -","- C32.4 H38.8 Br Cl2.8 N2 O3 Re S2 -","- C129.6 H155.2 Br4 Cl11.2 N8 O12 Re4 S8 -","4","1","","Beltrán, Tomás F; Zaragoza, Guillermo; Delaude, Lionel","Synthesis, characterization, and gas-phase fragmentation of rhenium-carbonyl complexes bearing imidazol(in)ium-2-dithiocarboxylate ligands.","Dalton transactions (Cambridge, England : 2003)","2016","45","45","18346","18355","10.1039/c6dt03428d","","x-ray","0.7107","MoKα","","0.0324","0.0239","","","0.0495","0.0516","","","","","","1.033","","","","has coordinates,has disorder","190152","2020-10-21","18:00:00",""
"7040911","16.1021","0.0016","10.4186","0.0011","16.2204","0.0018","90","","103.813","0.004","90","","2642.5","0.5","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C25 H26 Br N2 O3 Re S2 -","- C25 H26 Br N2 O3 Re S2 -","- C100 H104 Br4 N8 O12 Re4 S8 -","4","1","","Beltrán, Tomás F; Zaragoza, Guillermo; Delaude, Lionel","Synthesis, characterization, and gas-phase fragmentation of rhenium-carbonyl complexes bearing imidazol(in)ium-2-dithiocarboxylate ligands.","Dalton transactions (Cambridge, England : 2003)","2016","45","45","18346","18355","10.1039/c6dt03428d","","x-ray","0.7107","MoKα","","0.1113","0.0541","","","0.1031","0.1216","","","","","","1.015","","","","has coordinates","190152","2020-10-21","18:00:00",""
"7040912","11.6384","0.0004","17.8256","0.0007","17.9214","0.0007","90","","91.602","0.002","90","","3716.5","0.2","100","2","100","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C65 H82 Br2 Cl6 N4 O6 Re2 S4 -","- C65 H82 Br2 Cl6 N4 O6 Re2 S4 -","- C130 H164 Br4 Cl12 N8 O12 Re4 S8 -","2","0.5","","Beltrán, Tomás F; Zaragoza, Guillermo; Delaude, Lionel","Synthesis, characterization, and gas-phase fragmentation of rhenium-carbonyl complexes bearing imidazol(in)ium-2-dithiocarboxylate ligands.","Dalton transactions (Cambridge, England : 2003)","2016","45","45","18346","18355","10.1039/c6dt03428d","","x-ray","0.7107","MoKα","","0.0461","0.0302","","","0.0587","0.0629","","","","","","1.038","","","","has coordinates,has disorder","190152","2020-10-21","18:00:00",""
"7040913","12.578","0.002","12.578","0.002","15.381","0.004","90","","90","","120","","2107.4","0.7","100","2","100","2","","","","","","","","6","P 31 2 1","P 31 2""","152","","","","- C24 H24 N2 O8 Re2 S2 -","- C24 H24 N2 O8 Re2 S2 -","- C72 H72 N6 O24 Re6 S6 -","3","0.5","","Beltrán, Tomás F; Zaragoza, Guillermo; Delaude, Lionel","Synthesis, characterization, and gas-phase fragmentation of rhenium-carbonyl complexes bearing imidazol(in)ium-2-dithiocarboxylate ligands.","Dalton transactions (Cambridge, England : 2003)","2016","45","45","18346","18355","10.1039/c6dt03428d","","x-ray","0.7107","MoKα","","0.0257","0.0234","","","0.0434","0.0439","","","","","","1.103","","","","has coordinates","190152","2020-10-21","18:00:00",""
"7040914","18.1803","0.0009","12.7701","0.0005","15.0641","0.0008","90","","114.425","0.003","90","","3184.3","0.3","100","2","100","2","","","","","","","","6","P 1 2/c 1","-P 2yc","13","","","","- C30 H24 N2 O8 Re2 S2 -","- C30 H24 N2 O8 Re2 S2 -","- C120 H96 N8 O32 Re8 S8 -","4","1","","Beltrán, Tomás F; Zaragoza, Guillermo; Delaude, Lionel","Synthesis, characterization, and gas-phase fragmentation of rhenium-carbonyl complexes bearing imidazol(in)ium-2-dithiocarboxylate ligands.","Dalton transactions (Cambridge, England : 2003)","2016","45","45","18346","18355","10.1039/c6dt03428d","","x-ray","0.7107","MoKα","","0.0313","0.0274","","","0.0637","0.0658","","","","","","1.08","","","","has coordinates","190152","2020-10-21","18:00:00",""
"7040915","18.3361","0.0009","17.6894","0.0009","28.8013","0.0017","90","","101.112","0.003","90","","9166.7","0.8","100","2","100","2","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C42 H50 N2 O8 Re2 S2 -","- C42 H50 N2 O8 Re2 S2 -","- C336 H400 N16 O64 Re16 S16 -","8","1","","Beltrán, Tomás F; Zaragoza, Guillermo; Delaude, Lionel","Synthesis, characterization, and gas-phase fragmentation of rhenium-carbonyl complexes bearing imidazol(in)ium-2-dithiocarboxylate ligands.","Dalton transactions (Cambridge, England : 2003)","2016","45","45","18346","18355","10.1039/c6dt03428d","","x-ray","0.7107","MoKα","","0.0441","0.0302","","","0.0614","0.0663","","","","","","1.036","","","","has coordinates,has disorder","190152","2020-10-21","18:00:00",""
"7040916","38.243","0.004","11.6015","0.0011","16.5828","0.0019","90","","90","","90","","7357.4","1.3","100","2","100","2","","","","","","","","7","A e a 2","A 2 -2ab","41","","","","- C69 H78 Cl2 N4 O12 Re4 S4 -","- C69 H78 Cl2 N4 O12 Re4 S4 -","- C276 H312 Cl8 N16 O48 Re16 S16 -","4","0.5","","Beltrán, Tomás F; Zaragoza, Guillermo; Delaude, Lionel","Synthesis, characterization, and gas-phase fragmentation of rhenium-carbonyl complexes bearing imidazol(in)ium-2-dithiocarboxylate ligands.","Dalton transactions (Cambridge, England : 2003)","2016","45","45","18346","18355","10.1039/c6dt03428d","","x-ray","0.7107","MoKα","","0.0695","0.0467","","","0.0934","0.1013","","","","","","0.997","","","","has coordinates","190152","2020-10-21","18:00:00",""
"7040917","14.1331","0.0004","11.0904","0.0003","20.4981","0.0005","90","","104.559","0.002","90","","3109.74","0.15","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C57 H50 Cl2 N4 O12 Re4 S4 -","- C57 H50 Cl2 N4 O12 Re4 S4 -","- C114 H100 Cl4 N8 O24 Re8 S8 -","2","0.5","","Beltrán, Tomás F; Zaragoza, Guillermo; Delaude, Lionel","Synthesis, characterization, and gas-phase fragmentation of rhenium-carbonyl complexes bearing imidazol(in)ium-2-dithiocarboxylate ligands.","Dalton transactions (Cambridge, England : 2003)","2016","45","45","18346","18355","10.1039/c6dt03428d","","x-ray","0.7107","MoKα","","0.0273","0.0219","","","0.0423","0.0437","","","","","","1.036","","","","has coordinates,has disorder","190152","2020-10-21","18:00:00",""
"7040918","37.853","0.003","11.623","0.0009","16.6584","0.0012","90","","90","","90","","7329.1","1","100","2","100","2","","","","","","","","7","A e a 2","A 2 -2ab","41","","","","- C69 H74 Cl2 N4 O12 Re4 S4 -","- C69 H74 Cl2 N4 O12 Re4 S4 -","- C276 H296 Cl8 N16 O48 Re16 S16 -","4","0.5","","Beltrán, Tomás F; Zaragoza, Guillermo; Delaude, Lionel","Synthesis, characterization, and gas-phase fragmentation of rhenium-carbonyl complexes bearing imidazol(in)ium-2-dithiocarboxylate ligands.","Dalton transactions (Cambridge, England : 2003)","2016","45","45","18346","18355","10.1039/c6dt03428d","","x-ray","0.7107","MoKα","","0.1548","0.0817","","","0.1685","0.2116","","","","","","1.004","","","","has coordinates","190152","2020-10-21","18:00:00",""
"7040919","16.3551","0.0013","14.7943","0.001","7.4616","0.0006","90","","90.874","0.003","90","","1805.2","0.2","102","2","102","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Compound_8","","- C21 H19 F3 Ge -","- C21 H19 F3 Ge -","- C84 H76 F12 Ge4 -","4","1","","Ahrens, Theresia; Teltewskoi, Michael; Ahrens, Mike; Braun, Thomas; Laubenstein, Reik","Competing reaction pathways of 3,3,3-trifluoropropene at rhodium hydrido, silyl and germyl complexes: C-F bond activation versus hydrogermylation.","Dalton transactions (Cambridge, England : 2003)","2016","45","43","17495","17507","10.1039/c6dt03027k","","","0.71073","MoKα","","0.0874","0.0487","","","0.0798","0.0894","","","","","","1.04","","","","has coordinates","188179","2020-10-21","18:00:00",""
"7040920","9.495","0.0004","9.7733","0.0004","10.3171","0.0004","67.024","0.002","83.103","0.002","84.211","0.002","873.54","0.06","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","Compound_7","","- C21 H18 F2 Ge -","- C21 H18 F2 Ge -","- C42 H36 F4 Ge2 -","2","1","","Ahrens, Theresia; Teltewskoi, Michael; Ahrens, Mike; Braun, Thomas; Laubenstein, Reik","Competing reaction pathways of 3,3,3-trifluoropropene at rhodium hydrido, silyl and germyl complexes: C-F bond activation versus hydrogermylation.","Dalton transactions (Cambridge, England : 2003)","2016","45","43","17495","17507","10.1039/c6dt03027k","","","0.71073","MoKα","","0.0288","0.0261","","","0.0643","0.0657","","","","","","1.052","","","","has coordinates","188179","2020-10-21","18:00:00",""
"7040921","22.6495","0.0013","22.6495","0.0013","17.9177","0.0012","90","","90","","120","","7960.3","0.8","123","","123","","","","","","","","","5","P 6/m m m","-P 6 2","191","","","","- C144 H97 N12 O41 Y9 -","- C144 H97 N12 O41 Y9 -","- C144 H97 N12 O41 Y9 -","1","0.0416667","","Xu, Lei; Zhai, Meng-Ke; Wang, Fei; Sun, Lin; Du, Hong-Bin","A series of robust metal-porphyrinic frameworks based on rare earth clusters and their application in N-H carbene insertion.","Dalton transactions (Cambridge, England : 2003)","2016","45","43","17108","17112","10.1039/c6dt03678c","","","0.71073","MoKα","","0.136","0.1297","","","0.387","0.3931","","","","","","1.897","","","","has coordinates","188188","2020-10-21","18:00:00",""
"7040922","22.7374","0.0005","22.7374","0.0005","17.8238","0.0008","90","","90","","120","","7980.2","0.4","123","","123","","","","","","","","","5","P 6/m m m","-P 6 2","191","","","","- C144 H97 N12 O41 Yb9 -","- C144 H97 N12 O41 Yb9 -","- C144 H97 N12 O41 Yb9 -","1","0.0416667","","Xu, Lei; Zhai, Meng-Ke; Wang, Fei; Sun, Lin; Du, Hong-Bin","A series of robust metal-porphyrinic frameworks based on rare earth clusters and their application in N-H carbene insertion.","Dalton transactions (Cambridge, England : 2003)","2016","45","43","17108","17112","10.1039/c6dt03678c","","","0.71073","MoKα","","0.1296","0.1247","","","0.3376","0.3418","","","","","","1.108","","","","has coordinates","188188","2020-10-21","18:00:00",""
"7040923","22.7374","0.0005","22.7374","0.0005","17.8238","0.0008","90","","90","","120","","7980.2","0.4","123","","123","","","","","","","","","5","P 6/m m m","-P 6 2","191","","","","- C144 H97 Dy9 N12 O41 -","- C144 H97 Dy9 N12 O41 -","- C144 H97 Dy9 N12 O41 -","1","0.0416667","","Xu, Lei; Zhai, Meng-Ke; Wang, Fei; Sun, Lin; Du, Hong-Bin","A series of robust metal-porphyrinic frameworks based on rare earth clusters and their application in N-H carbene insertion.","Dalton transactions (Cambridge, England : 2003)","2016","45","43","17108","17112","10.1039/c6dt03678c","","","0.71073","MoKα","","0.1427","0.1393","","","0.425","0.4298","","","","","","2.176","","","","has coordinates","188188","2020-10-21","18:00:00",""
"7040924","22.7374","0.0005","22.7374","0.0005","17.8238","0.0008","90","","90","","120","","7980.2","0.4","123","","123","","","","","","","","","5","P 6/m m m","-P 6 2","191","","","","- C144 H97 Er9 N12 O41 -","- C144 H97 Er9 N12 O41 -","- C144 H97 Er9 N12 O41 -","1","0.0416667","","Xu, Lei; Zhai, Meng-Ke; Wang, Fei; Sun, Lin; Du, Hong-Bin","A series of robust metal-porphyrinic frameworks based on rare earth clusters and their application in N-H carbene insertion.","Dalton transactions (Cambridge, England : 2003)","2016","45","43","17108","17112","10.1039/c6dt03678c","","","0.71073","MoKα","","0.1313","0.1274","","","0.3201","0.3229","","","","","","1.039","","","","has coordinates","188188","2020-10-21","18:00:00",""
"7040925","22.7374","0.0005","22.7374","0.0005","17.8238","0.0008","90","","90","","120","","7980.2","0.4","123","","123","","","","","","","","","5","P 6/m m m","-P 6 2","191","","","","- C144 H97 Gd9 N12 O41 -","- C144 H97 Gd9 N12 O41 -","- C144 H97 Gd9 N12 O41 -","1","0.0416667","","Xu, Lei; Zhai, Meng-Ke; Wang, Fei; Sun, Lin; Du, Hong-Bin","A series of robust metal-porphyrinic frameworks based on rare earth clusters and their application in N-H carbene insertion.","Dalton transactions (Cambridge, England : 2003)","2016","45","43","17108","17112","10.1039/c6dt03678c","","","0.71073","MoKα","","0.1604","0.1573","","","0.4669","0.4711","","","","","","2.413","","","","has coordinates","188188","2020-10-21","18:00:00",""
"7040926","22.7374","0.0005","22.7374","0.0005","17.8238","0.0008","90","","90","","120","","7980.2","0.4","123","","123","","","","","","","","","5","P 6/m m m","-P 6 2","191","","","","- C144 H97 N12 O41 Tb9 -","- C144 H97 N12 O41 Tb9 -","- C144 H97 N12 O41 Tb9 -","1","0.0416667","","Xu, Lei; Zhai, Meng-Ke; Wang, Fei; Sun, Lin; Du, Hong-Bin","A series of robust metal-porphyrinic frameworks based on rare earth clusters and their application in N-H carbene insertion.","Dalton transactions (Cambridge, England : 2003)","2016","45","43","17108","17112","10.1039/c6dt03678c","","","0.71073","MoKα","","0.1836","0.1765","","","0.4736","0.4808","","","","","","2.36","","","","has coordinates","188188","2020-10-21","18:00:00",""
"7040927","11.161","0.004","9.687","0.003","12.882","0.004","90","","100.623","0.004","90","","1368.9","0.8","150","","150","","","","","","","","","7","P 1 2/n 1","-P 2yac","13","","(PNP)ReOCl2","","- C26 H40 Cl2 N O P2 Re -","- C26 H40 Cl2 N O P2 Re -","- C52 H80 Cl4 N2 O2 P4 Re2 -","2","0.5","","Kosanovich, Alex J.; Shih, Wei-Chun; Ramírez-Contreras, Rodrigo; Ozerov, Oleg V.","N-H cleavage as a route to new pincer complexes of high-valent rhenium.","Dalton transactions (Cambridge, England : 2003)","2016","45","46","18532","18540","10.1039/c6dt03640f","","","0.71073","MoKα","","0.0314","0.0298","","","0.0665","0.067","","","","","","1.34","","","","has coordinates,has disorder","190116","2020-10-21","18:00:00",""
"7040928","10.704","0.004","11.492","0.004","13.706","0.005","94.036","0.004","111.662","0.004","102.587","0.004","1508","0.9","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","(PNNH)ReOCl2","","- C30 H40 Cl2 N2 O P Re -","- C30 H40 Cl2 N2 O P Re -","- C60 H80 Cl4 N4 O2 P2 Re2 -","2","1","","Kosanovich, Alex J.; Shih, Wei-Chun; Ramírez-Contreras, Rodrigo; Ozerov, Oleg V.","N-H cleavage as a route to new pincer complexes of high-valent rhenium.","Dalton transactions (Cambridge, England : 2003)","2016","45","46","18532","18540","10.1039/c6dt03640f","","","0.71073","MoKα","","0.0221","0.0205","","","0.0509","0.0518","","","","","","1.04","","","","has coordinates","190116","2020-10-21","18:00:00",""
"7040929","28.413","0.006","10.89","0.002","20.429","0.004","90","","115.021","0.002","90","","5728","2","110","2","110","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","(PNN)ReOCl","","- C30 H39 Cl N2 O P Re -","- C30 H39 Cl N2 O P Re -","- C240 H312 Cl8 N16 O8 P8 Re8 -","8","1","","Kosanovich, Alex J.; Shih, Wei-Chun; Ramírez-Contreras, Rodrigo; Ozerov, Oleg V.","N-H cleavage as a route to new pincer complexes of high-valent rhenium.","Dalton transactions (Cambridge, England : 2003)","2016","45","46","18532","18540","10.1039/c6dt03640f","","","0.71073","MoKα","","0.0331","0.0292","","","0.071","0.0729","","","","","","1.048","","","","has coordinates","190116","2020-10-21","18:00:00",""
"7040930","9.305","0.004","17.154","0.007","20.738","0.009","90","","90.579","0.005","90","","3310","2","150","2","150","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","(PNN)ReO(OTf)","","- C31 H39 F3 N2 O4 P Re S -","- C31 H39 F3 N2 O4 P Re S -","- C124 H156 F12 N8 O16 P4 Re4 S4 -","4","1","","Kosanovich, Alex J.; Shih, Wei-Chun; Ramírez-Contreras, Rodrigo; Ozerov, Oleg V.","N-H cleavage as a route to new pincer complexes of high-valent rhenium.","Dalton transactions (Cambridge, England : 2003)","2016","45","46","18532","18540","10.1039/c6dt03640f","","","0.71073","MoKα","","0.0349","0.0263","","","0.0637","0.067","","","","","","1.056","","","","has coordinates","190116","2020-10-21","18:00:00",""
"7040931","11.7141","0.0004","30.8652","0.001","9.4224","0.0003","90","","96.162","0.002","90","","3387.06","0.19","200","2","200","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C30 H33 Cl2 Dy2 N6 O10 -","- C30 H33 Cl2 Dy2 N6 O10 -","- C120 H132 Cl8 Dy8 N24 O40 -","4","1","","Jiang, Y.; Brunet, G.; Holmberg, R. J.; Habib, F.; Korobkov, I.; Murugesu, M.","Terminal solvent effects on the anisotropy barriers of Dy2 systems.","Dalton transactions (Cambridge, England : 2003)","2016","45","42","16709","16715","10.1039/c6dt03366k","","","0.71073","MoKα","","0.1013","0.0897","","","0.1836","0.1883","","","","","","1.244","","","","has coordinates,has disorder","188226","2020-10-21","18:00:00",""
"7040932","9.284","0.0005","12.1401","0.0006","17.509","0.0008","90","","98.4461","0.0011","90","","1952.01","0.17","200","2","200","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C34 H36 Cl2 Dy2 N8 O8 -","- C34 H36 Cl2 Dy2 N8 O8 -","- C68 H72 Cl4 Dy4 N16 O16 -","2","0.5","","Jiang, Y.; Brunet, G.; Holmberg, R. J.; Habib, F.; Korobkov, I.; Murugesu, M.","Terminal solvent effects on the anisotropy barriers of Dy2 systems.","Dalton transactions (Cambridge, England : 2003)","2016","45","42","16709","16715","10.1039/c6dt03366k","","","0.71073","MoKα","","0.0388","0.0267","","","0.0648","0.0716","","","","","","1.017","","","","has coordinates","188226","2020-10-21","18:00:00",""
"7040933","9.2698","0.0002","12.1313","0.0003","16.9364","0.0004","90","","101.244","0.001","90","","1868.02","0.08","200","2","200","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C34 H38 Cl2 Dy2 N6 O8 -","- C34 H38 Cl2 Dy2 N6 O8 -","- C68 H76 Cl4 Dy4 N12 O16 -","2","0.5","","Jiang, Y.; Brunet, G.; Holmberg, R. J.; Habib, F.; Korobkov, I.; Murugesu, M.","Terminal solvent effects on the anisotropy barriers of Dy2 systems.","Dalton transactions (Cambridge, England : 2003)","2016","45","42","16709","16715","10.1039/c6dt03366k","","","0.71073","MoKα","","0.041","0.0316","","","0.0848","0.0892","","","","","","1.088","","","","has coordinates,has disorder","188226","2020-10-21","18:00:00",""
"7040934","8.624","0.0005","9.5939","0.0008","11.1935","0.0008","91.012","0.006","102.395","0.006","107.446","0.007","859.58","0.11","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H28 Cl Fe O -","- C18 H28 Cl Fe O -","- C36 H56 Cl2 Fe2 O2 -","2","1","","Roemer, Max; Skelton, Brian W.; Piggott, Matthew J.; Koutsantonis, George A.","1,1'-Diacetyloctamethylferrocene: an overlooked and overdue synthon leading to the facile synthesis of an octamethylferrocenophane.","Dalton transactions (Cambridge, England : 2003)","2016","45","47","18817","18821","10.1039/c6dt03820d","","x-ray","0.71073","MoKα","","0.0422","0.0345","","","0.084","0.0888","","","","","","1.038","","","","has coordinates","190205","2020-10-21","18:00:00",""
"7040935","13.813","0.0002","9.9015","0.0002","13.7349","0.0003","90","","95.262","0.001","90","","1870.6","0.06","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C22 H30 Fe O2 -","- C22 H30 Fe O2 -","- C88 H120 Fe4 O8 -","4","0.5","","Roemer, Max; Skelton, Brian W.; Piggott, Matthew J.; Koutsantonis, George A.","1,1'-Diacetyloctamethylferrocene: an overlooked and overdue synthon leading to the facile synthesis of an octamethylferrocenophane.","Dalton transactions (Cambridge, England : 2003)","2016","45","47","18817","18821","10.1039/c6dt03820d","","x-ray","0.71073","MoKα","","0.0307","0.028","","","0.0717","0.074","","","","","","1.084","","","","has coordinates","190205","2020-10-21","18:00:00",""
"7040936","10.2779","0.0002","11.6313","0.0002","17.0381","0.0003","90","","105.777","0.002","90","","1960.09","0.06","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C22 H28 Cl2 Fe -","- C22 H28 Cl2 Fe -","- C88 H112 Cl8 Fe4 -","4","2","","Roemer, Max; Skelton, Brian W.; Piggott, Matthew J.; Koutsantonis, George A.","1,1'-Diacetyloctamethylferrocene: an overlooked and overdue synthon leading to the facile synthesis of an octamethylferrocenophane.","Dalton transactions (Cambridge, England : 2003)","2016","45","47","18817","18821","10.1039/c6dt03820d","","x-ray","0.71073","MoKα","","0.0534","0.0447","","","0.102","0.1072","","","","","","1.058","","","","has coordinates","190205","2020-10-21","18:00:00",""
"7040937","27.0594","0.0008","7.3493","0.0002","10.7309","0.0004","90","","90","","90","","2134.03","0.12","100","2","100","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C24 H28 Cl2 Fe O2 -","- C24 H28 Cl2 Fe O2 -","- C96 H112 Cl8 Fe4 O8 -","4","1","","Roemer, Max; Skelton, Brian W.; Piggott, Matthew J.; Koutsantonis, George A.","1,1'-Diacetyloctamethylferrocene: an overlooked and overdue synthon leading to the facile synthesis of an octamethylferrocenophane.","Dalton transactions (Cambridge, England : 2003)","2016","45","47","18817","18821","10.1039/c6dt03820d","","x-ray","1.54184","CuKα","","0.0531","0.0445","","","0.1051","0.1101","","","","","","1.045","","","","has coordinates","190205","2020-10-21","18:00:00",""
"7040938","28.4563","0.0005","8.6547","0.0002","16.6461","0.0004","90","","91.822","0.002","90","","4097.54","0.15","100","2","100","2","","","","","","","","4","P 1 2/c 1","-P 2yc","13","","","","- C24 H33 Fe N -","- C24 H33 Fe N -","- C192 H264 Fe8 N8 -","8","2","","Roemer, Max; Skelton, Brian W.; Piggott, Matthew J.; Koutsantonis, George A.","1,1'-Diacetyloctamethylferrocene: an overlooked and overdue synthon leading to the facile synthesis of an octamethylferrocenophane.","Dalton transactions (Cambridge, England : 2003)","2016","45","47","18817","18821","10.1039/c6dt03820d","","x-ray","1.54184","CuKα","","0.0889","0.0578","","","0.1378","0.158","","","","","","1.043","","","","has coordinates,has disorder","190205","2020-10-21","18:00:00",""
"7040939","10.832","0.003","13.759","0.003","15.524","0.005","99.505","0.007","94.478","0.01","104.276","0.005","2194.3","1.1","110","","110","","","","","","","","","7","P -1","-P 1","2","","[Ru(Cp)(PPh2NBn2)(MeCN)]PF6","","- C41 H50 F6 N3 O P3 Ru -","- C41 H50 F6 N3 O P3 Ru -","- C82 H100 F12 N6 O2 P6 Ru2 -","2","1","","Stubbs, J. M.; Bow, J.-P. J.; Hazlehurst, R. J.; Blacquiere, J. M.","Catalytic cyclization and competitive deactivation with Ru(P(R)2N(R')2) complexes.","Dalton transactions (Cambridge, England : 2003)","2016","45","43","17100","17103","10.1039/c6dt03694e","","","0.71073","MoKα","","0.0564","0.0393","","","0.0889","0.0958","","","","","","1.056","","","","has coordinates","188181","2020-10-21","18:00:00",""
"7040940","13.7766","0.0004","8.1417","0.0003","16.7532","0.0006","90","","104.071","0.002","90","","1822.74","0.11","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","[Ru(PDP)Cl(cod)]","","- C22 H22 Cl N3 Ru -","- C22 H22 Cl N3 Ru -","- C88 H88 Cl4 N12 Ru4 -","4","1","","Zhong, Yi-Qing; Xiao, Hui-Qiong; Yi, Xiao-Yi","Synthesis, structural characterization and catalysis of ruthenium(ii) complexes based on 2,5-bis(2'-pyridyl)pyrrole ligand.","Dalton transactions (Cambridge, England : 2003)","2016","45","45","18113","18119","10.1039/c6dt03464k","","","0.71073","MoKα","","0.0578","0.0295","","","0.0583","0.068","","","","","","1.017","","","","has coordinates","190154","2020-10-21","18:00:00",""
"7040941","16.181","0.002","9.1454","0.0015","13.653","0.002","90","","102.043","0.006","90","","1975.9","0.5","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","[(PDP)Ru(COD)(NO3)]","","- C22 H22 N4 O3 Ru -","- C22 H22 N4 O3 Ru -","- C88 H88 N16 O12 Ru4 -","4","1","","Zhong, Yi-Qing; Xiao, Hui-Qiong; Yi, Xiao-Yi","Synthesis, structural characterization and catalysis of ruthenium(ii) complexes based on 2,5-bis(2'-pyridyl)pyrrole ligand.","Dalton transactions (Cambridge, England : 2003)","2016","45","45","18113","18119","10.1039/c6dt03464k","","","0.71073","MoKα","","0.0669","0.0367","","","0.0884","0.1044","","","","","","1.018","","","","has coordinates","190154","2020-10-21","18:00:00",""
"7040942","11.298","0.0006","27.7584","0.0014","15.1162","0.0007","90","","108.956","0.003","90","","4483.6","0.4","296","2","296","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","RuPDP(COD)OTf","","- C23 H22 F3 N3 O3 Ru S -","- C23 H22 F3 N3 O3 Ru S -","- C184 H176 F24 N24 O24 Ru8 S8 -","8","2","","Zhong, Yi-Qing; Xiao, Hui-Qiong; Yi, Xiao-Yi","Synthesis, structural characterization and catalysis of ruthenium(ii) complexes based on 2,5-bis(2'-pyridyl)pyrrole ligand.","Dalton transactions (Cambridge, England : 2003)","2016","45","45","18113","18119","10.1039/c6dt03464k","","","0.71073","MoKα","","0.1111","0.0508","","","0.1048","0.1325","","","","","","1.024","","","","has coordinates","192220","2020-10-21","18:00:00",""
"7040943","16.7129","0.0005","7.7974","0.0002","31.1102","0.0008","90","","90","","90","","4054.19","0.19","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","[RuCOD(PDPCl)]","","- C22 H20 Cl3 N3 Ru -","- C22 H20 Cl3 N3 Ru -","- C176 H160 Cl24 N24 Ru8 -","8","1","","Zhong, Yi-Qing; Xiao, Hui-Qiong; Yi, Xiao-Yi","Synthesis, structural characterization and catalysis of ruthenium(ii) complexes based on 2,5-bis(2'-pyridyl)pyrrole ligand.","Dalton transactions (Cambridge, England : 2003)","2016","45","45","18113","18119","10.1039/c6dt03464k","","","0.71073","MoKα","","0.0489","0.04","","","0.101","0.1071","","","","","","1.019","","","","has coordinates","190154","2020-10-21","18:00:00",""
"7040944","7.9945","0.0002","11.5727","0.0002","12.2086","0.0002","98.674","0.001","105.54","0.001","90.75","0.001","1074.08","0.04","296","2","293","2","","","","","","","","7","P -1","-P 1","2","","[Ru(PDP)(COD)(H2O)]BF4","","- C22 H24 B F4 N3 O Ru -","- C22 H24 B F4 N3 O Ru -","- C44 H48 B2 F8 N6 O2 Ru2 -","2","1","","Zhong, Yi-Qing; Xiao, Hui-Qiong; Yi, Xiao-Yi","Synthesis, structural characterization and catalysis of ruthenium(ii) complexes based on 2,5-bis(2'-pyridyl)pyrrole ligand.","Dalton transactions (Cambridge, England : 2003)","2016","45","45","18113","18119","10.1039/c6dt03464k","","","0.71073","MoKα","","0.0667","0.0538","","","0.1776","0.2031","","","","","","1.026","","","","has coordinates","190154","2020-10-21","18:00:00",""
"7040945","12.0501","0.0004","12.082","0.0004","23.2457","0.0008","85.061","0.002","89.175","0.002","86.151","0.002","3364","0.2","100","2","100","","","","","","","","","5","P -1","-P 1","2","","","","- C68 H62 N6 O18 Ti4 -","- C68 H62 N6 O18 Ti4 -","- C136 H124 N12 O36 Ti8 -","2","1","","Cols, Jean-Marie E P; Taylor, Cameron E.; Gagnon, Kevin J.; Teat, Simon J.; McIntosh, Ruaraidh D.","Well-defined Ti4 pre-catalysts for the ring-opening polymerisation of lactide.","Dalton transactions (Cambridge, England : 2003)","2016","45","44","17729","17738","10.1039/c6dt03842e","","","0.7749","synchrotron","","0.0832","0.0518","","","0.1081","0.1185","","","","","","1.027","","","","has coordinates","190182","2020-10-21","18:00:00",""
"7040946","13.862","0.0005","13.862","0.0005","23.4683","0.0008","90","","90","","90","","4509.6","0.3","100","2","100","","","","","","","","","5","I -4","I -4","82","","","","- C76 H80 N4 O19 Ti4 -","- C76 H80 N4 O19 Ti4 -","- C152 H160 N8 O38 Ti8 -","2","0.25","","Cols, Jean-Marie E P; Taylor, Cameron E.; Gagnon, Kevin J.; Teat, Simon J.; McIntosh, Ruaraidh D.","Well-defined Ti4 pre-catalysts for the ring-opening polymerisation of lactide.","Dalton transactions (Cambridge, England : 2003)","2016","45","44","17729","17738","10.1039/c6dt03842e","","","0.71073","MoKα","","0.0417","0.0381","","","0.1107","0.1145","","","","","","1.068","","","","has coordinates","190182","2020-10-21","18:00:00",""
"7040947","19.5294","0.0008","19.5294","0.0008","20.7148","0.0009","90","","90","","90","","7900.6","0.6","100","","100","","","","","","","","","5","I -4","I -4","82","","","","- C180 H216 N4 O18 Ti4 -","- C180 H216 N4 O18 Ti4 -","- C360 H432 N8 O36 Ti8 -","2","0.25","","Cols, Jean-Marie E P; Taylor, Cameron E.; Gagnon, Kevin J.; Teat, Simon J.; McIntosh, Ruaraidh D.","Well-defined Ti4 pre-catalysts for the ring-opening polymerisation of lactide.","Dalton transactions (Cambridge, England : 2003)","2016","45","44","17729","17738","10.1039/c6dt03842e","","","0.71073","MoKα","","0.0543","0.0383","","","0.0925","0.1036","","","","","","1.078","","","","has coordinates,has disorder","190182","2020-10-21","18:00:00",""
"7040948","12.3528","0.0005","28.6409","0.0012","19.293","0.0008","90","","95.215","0.002","90","","6797.5","0.5","100","2","100","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C64 H48 F8 N4 O18 Ti4 -","- C64 H48 F8 N4 O18 Ti4 -","- C256 H192 F32 N16 O72 Ti16 -","4","1","","Cols, Jean-Marie E P; Taylor, Cameron E.; Gagnon, Kevin J.; Teat, Simon J.; McIntosh, Ruaraidh D.","Well-defined Ti4 pre-catalysts for the ring-opening polymerisation of lactide.","Dalton transactions (Cambridge, England : 2003)","2016","45","44","17729","17738","10.1039/c6dt03842e","","","0.7749","synchrotron","","0.072","0.0457","","","0.0985","0.1101","","","","","","1.017","","","","has coordinates","190182","2020-10-21","18:00:00",""
"7040949","11.694","0.003","12.469","0.004","13.505","0.004","110.8","0.003","97.579","0.001","112.346","0.003","1619.5","0.8","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C39 H29 Cl N4 O6 Os -","- C39 H29 Cl N4 O6 Os -","- C78 H58 Cl2 N8 O12 Os2 -","2","1","","Hazari, Arijit Singha; Paretzki, Alexa; Fiedler, Jan; Zalis, Stanislav; Kaim, Wolfgang; Lahiri, Goutam Kumar","Different manifestations of enhanced π-acceptor ligation at every redox level of [Os(9-OP)L2](n), n = 2+, +, 0, - (9-OP(-) = 9-oxidophenalenone and L = bpy or pap).","Dalton transactions (Cambridge, England : 2003)","2016","45","45","18241","18251","10.1039/c6dt03764j","","","0.71075","MoKα","","0.0317","0.029","","","0.0651","0.0668","","","","","","1.047","","","","has coordinates","190161","2020-10-21","18:00:00",""
"7040950","10.552","0.002","19.785","0.003","15.902","0.002","90","","109.019","0.001","90","","3138.7","0.9","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C35 H25 Cl N6 O6 Os -","- C35 H25 Cl N6 O6 Os -","- C140 H100 Cl4 N24 O24 Os4 -","4","1","","Hazari, Arijit Singha; Paretzki, Alexa; Fiedler, Jan; Zalis, Stanislav; Kaim, Wolfgang; Lahiri, Goutam Kumar","Different manifestations of enhanced π-acceptor ligation at every redox level of [Os(9-OP)L2](n), n = 2+, +, 0, - (9-OP(-) = 9-oxidophenalenone and L = bpy or pap).","Dalton transactions (Cambridge, England : 2003)","2016","45","45","18241","18251","10.1039/c6dt03764j","","","0.7107","MoKα","","0.0528","0.0448","","","0.1035","0.1115","","","","","","0.991","","","","has coordinates","190161","2020-10-21","18:00:00",""
"7040951","6.943","0.006","8.209","0.007","10.524","0.009","90","","96.542","0.013","90","","595.9","0.9","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","MnSb2O3(OH)Cl","","- Cl H Mn O4 Sb2 -","- Cl H Mn O4 Sb2 -","- Cl4 H4 Mn4 O16 Sb8 -","4","1","","Geng, Lei; Li, Qiang; Lu, Hongyan; Dai, Kai; Halasyamani, P. Shiv","Sb-Based antiferromagnetic oxychlorides: MSb2O3(OH)Cl (M = Mn, Fe, Co) with 2D spin-dimer structures.","Dalton transactions (Cambridge, England : 2003)","2016","45","45","18183","18189","10.1039/c6dt03609k","","","0.71073","MoKα","","0.0232","0.0211","","","0.05","0.0508","","","","","","1.029","","","","has coordinates","190164","2020-10-21","18:00:00",""
"7040952","6.901","0.003","8.158","0.004","10.32","0.005","90","","95.516","0.007","90","","578.3","0.5","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- Cl Fe H O4 Sb2 -","- Cl Fe H O4 Sb2 -","- Cl4 Fe4 H4 O16 Sb8 -","4","1","","Geng, Lei; Li, Qiang; Lu, Hongyan; Dai, Kai; Halasyamani, P. Shiv","Sb-Based antiferromagnetic oxychlorides: MSb2O3(OH)Cl (M = Mn, Fe, Co) with 2D spin-dimer structures.","Dalton transactions (Cambridge, England : 2003)","2016","45","45","18183","18189","10.1039/c6dt03609k","","","0.71073","MoKα","","0.0175","0.0158","","","0.0413","0.0421","","","","","","1.016","","","","has coordinates","190164","2020-10-21","18:00:00",""
"7040953","6.91","0.002","8.115","0.003","20.458","0.007","90","","96.024","0.005","90","","1140.8","0.7","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- Cl Co H O4 Sb2 -","- Cl Co H O4 Sb2 -","- Cl8 Co8 H8 O32 Sb16 -","8","2","","Geng, Lei; Li, Qiang; Lu, Hongyan; Dai, Kai; Halasyamani, P. Shiv","Sb-Based antiferromagnetic oxychlorides: MSb2O3(OH)Cl (M = Mn, Fe, Co) with 2D spin-dimer structures.","Dalton transactions (Cambridge, England : 2003)","2016","45","45","18183","18189","10.1039/c6dt03609k","","","0.71073","MoKα","","0.0256","0.0204","","","0.052","0.0544","","","","","","1.031","","","","has coordinates","190164","2020-10-21","18:00:00",""
"7040954","10.6585","0.0004","8.7138","0.0003","9.7203","0.0008","90","","95.092","0.005","90","","899.22","0.09","101.7","","101.7","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C8 H16 Cu N22 -","- C8 H16 Cu N22 -","- C16 H32 Cu2 N44 -","2","0.5","","Feng, Yong-An; Qiu, Hao; Yang, Sa-Sha; Du, Jiang; Zhang, Tong-Lai","Carbonyl-bridged energetic materials: biomimetic synthesis, organic catalytic synthesis, and energetic performances.","Dalton transactions (Cambridge, England : 2003)","2016","45","43","17117","17122","10.1039/c6dt03271k","","","0.7107","MoKα","","0.0371","0.0312","","","0.0727","0.0762","","","","","","1.042","","","","has coordinates","188197","2020-10-21","18:00:00",""
"7040955","14.452","0.004","4.6313","0.0013","17.861","0.005","90","","90","","90","","1195.5","0.6","153","2","153","2","","","","","","","","3","P c a 21","P 2c -2ac","29","","G2btm","","- C5 H14 N14 -","- C5 H14 N14 -","- C20 H56 N56 -","4","1","","Feng, Yong-An; Qiu, Hao; Yang, Sa-Sha; Du, Jiang; Zhang, Tong-Lai","Carbonyl-bridged energetic materials: biomimetic synthesis, organic catalytic synthesis, and energetic performances.","Dalton transactions (Cambridge, England : 2003)","2016","45","43","17117","17122","10.1039/c6dt03271k","","","0.71073","MoKα","","0.0444","0.0396","","","0.0885","0.092","","","","","","1.002","","","","has coordinates","188197","2020-10-21","18:00:00",""
"7040956","3.6071","0.0014","19.316","0.008","18.825","0.008","90","","90","","90","","1311.6","0.9","153","2","153","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","G2btk","","- C5 H14 N14 O2 -","- C5 H14 N14 O2 -","- C20 H56 N56 O8 -","4","0.5","","Feng, Yong-An; Qiu, Hao; Yang, Sa-Sha; Du, Jiang; Zhang, Tong-Lai","Carbonyl-bridged energetic materials: biomimetic synthesis, organic catalytic synthesis, and energetic performances.","Dalton transactions (Cambridge, England : 2003)","2016","45","43","17117","17122","10.1039/c6dt03271k","","","0.71073","MoKα","","0.0599","0.0483","","","0.1165","0.1255","","","","","","1.002","","","","has coordinates","188197","2020-10-21","18:00:00",""
"7040957","4.4701","0.0014","17.557","0.006","8.4","0.003","90","","93.512","0.003","90","","658","0.4","153","2","153","2","","","","","","","","3","P 1 21 1","P 2yb","4","","AG2btm","","- C5 H16 N16 -","- C5 H16 N16 -","- C10 H32 N32 -","2","1","","Feng, Yong-An; Qiu, Hao; Yang, Sa-Sha; Du, Jiang; Zhang, Tong-Lai","Carbonyl-bridged energetic materials: biomimetic synthesis, organic catalytic synthesis, and energetic performances.","Dalton transactions (Cambridge, England : 2003)","2016","45","43","17117","17122","10.1039/c6dt03271k","","","0.71073","MoKα","","0.0441","0.0342","","","0.0558","0.0603","","","","","","0.999","","","","has coordinates","198632","2020-10-21","18:00:00",""
"7040958","11.9362","0.0016","12.6704","0.0017","24.704","0.004","75.697","0.007","76.691","0.008","65.697","0.005","3264.4","0.8","153","2","153","2","","","","","","","","5","P -1","-P 1","2","","Co-btm/btk-G","","- C12 H28.73 Co N33 O6.63 -","- C12 H23.442 Co N33 O6.633 -","- C48 H93.768 Co4 N132 O26.532 -","4","2","","Feng, Yong-An; Qiu, Hao; Yang, Sa-Sha; Du, Jiang; Zhang, Tong-Lai","Carbonyl-bridged energetic materials: biomimetic synthesis, organic catalytic synthesis, and energetic performances.","Dalton transactions (Cambridge, England : 2003)","2016","45","43","17117","17122","10.1039/c6dt03271k","","","0.71073","MoKα","","0.0896","0.0757","","","0.1924","0.2039","","","","","","1.003","","","","has coordinates,has disorder","198632","2020-10-21","18:00:00",""
"7040959","19.019","0.004","7.2862","0.0013","20.303","0.004","90","","115.34","0.003","90","","2542.8","0.9","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","{[Cd(L)(DMF)(H2O)2].H2O}n","","- C26 H27 Cd N2 O8 -","- C26 H28 Cd N2 O8 -","- C104 H112 Cd4 N8 O32 -","4","1","","Yan, Yong; Chen, Jun; Zhang, Ning-Ning; Wang, Ming-Sheng; Sun, Cai; Xing, Xiu-Shuang; Li, Rong; Xu, Jian-Gang; Zheng, Fa-Kun; Guo, Guo-Cong","Grinding size-dependent mechanoresponsive luminescent Cd(ii) coordination polymer.","Dalton transactions (Cambridge, England : 2003)","2016","45","45","18074","18078","10.1039/c6dt03794a","","","0.71073","MoKα","","0.045","0.0336","","","0.0948","0.1028","","","","","","0.924","","","","has coordinates","190146","2020-10-21","18:00:00",""
"7040960","12.3494","0.0006","14.4492","0.0007","20.1293","0.0009","69.671","0.002","79.77","0.002","76.835","0.002","3260.5","0.3","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C36 H29 Cl3 F3 N O P Rh -","- C36 H29 Cl3 F3 N O P Rh -","- C144 H116 Cl12 F12 N4 O4 P4 Rh4 -","4","2","","Almenara, N.; Ibarlucea, L.; Mendicute-Fierro, C; Seco, J. M.; Rodríguez-Diéguez, A; Garralda, M. A.; Huertos, M. A.","A pentacoordinated norbornenyl-acyl-rhodium(iii) complex as a likely intermediate in the catalytic hydroacylation of norbornadiene.","Dalton transactions (Cambridge, England : 2003)","2016","45","46","18502","18509","10.1039/c6dt03778j","","","0.71073","MoKα","","0.0657","0.0483","","","0.1188","0.1339","","","","","","1.081","","","","has coordinates","190101","2020-10-21","18:00:00",""
"7040961","10.2512","0.0011","12.494","0.002","13.7147","0.0017","70.085","0.005","76.102","0.006","76.715","0.006","1582","0.4","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C37 H31 Cl5 F3 N O P Rh -","- C35 H27 Cl F3 N O P Rh -","- C70 H54 Cl2 F6 N2 O2 P2 Rh2 -","2","1","","Almenara, N.; Ibarlucea, L.; Mendicute-Fierro, C; Seco, J. M.; Rodríguez-Diéguez, A; Garralda, M. A.; Huertos, M. A.","A pentacoordinated norbornenyl-acyl-rhodium(iii) complex as a likely intermediate in the catalytic hydroacylation of norbornadiene.","Dalton transactions (Cambridge, England : 2003)","2016","45","46","18502","18509","10.1039/c6dt03778j","","","0.71073","MoKα","","0.0697","0.0458","","","0.095","0.1011","","","","","","1.028","","","","has coordinates","190101","2020-10-21","18:00:00",""
"7040962","48.335","0.004","10.4309","0.0008","15.6534","0.0011","90","","90","","90","","7892.1","1","100","2","100","2","","","","","","","","8","C m c 21","C 2c -2","36","","","","- C48 H34 Cl5 F6 N O P2 Rh -","- C46 H30 Cl F6 N O P2 Rh -","- C184 H120 Cl4 F24 N4 O4 P8 Rh4 -","4","0.5","","Almenara, N.; Ibarlucea, L.; Mendicute-Fierro, C; Seco, J. M.; Rodríguez-Diéguez, A; Garralda, M. A.; Huertos, M. A.","A pentacoordinated norbornenyl-acyl-rhodium(iii) complex as a likely intermediate in the catalytic hydroacylation of norbornadiene.","Dalton transactions (Cambridge, England : 2003)","2016","45","46","18502","18509","10.1039/c6dt03778j","","","0.71069","MoKα","","0.1028","0.0932","","","0.2331","0.242","","","","","","1.055","","","","has coordinates","190101","2020-10-21","18:00:00",""
"7040963","15.428","0.003","15","0.003","20.388","0.005","90","","90.678","0.006","90","","4717.9","1.8","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C51 H121 N2 O37 Sm Ti11 -","- C51 N2 O37 Sm Ti11 -","- C102 N4 O74 Sm2 Ti22 -","2","1","","Zhang, Guang-Lin; Wang, Sheng; Hou, Jin-Le; Mo, Chong-Jiao; Que, Chen-Jie; Zhu, Qin-Yu; Dai, Jie","A lanthanide-titanium (LnTi11) oxo-cluster, a potential molecule based fluorescent labelling agent and photocatalyst.","Dalton transactions (Cambridge, England : 2003)","2016","45","44","17681","17686","10.1039/c6dt03034c","","","0.71075","MoKα","","0.0935","0.0806","","","0.1568","0.1631","","","","","","1.196","","","","has coordinates","190173","2020-10-21","18:00:00",""
"7040964","15.526","0.003","15.035","0.003","20.443","0.004","90","","90.31","0.03","90","","4772","1.6","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C51 H119 Eu N2 O39 Ti11 -","- C51 Eu N2 O37 Ti11 -","- C102 Eu2 N4 O74 Ti22 -","2","1","","Zhang, Guang-Lin; Wang, Sheng; Hou, Jin-Le; Mo, Chong-Jiao; Que, Chen-Jie; Zhu, Qin-Yu; Dai, Jie","A lanthanide-titanium (LnTi11) oxo-cluster, a potential molecule based fluorescent labelling agent and photocatalyst.","Dalton transactions (Cambridge, England : 2003)","2016","45","44","17681","17686","10.1039/c6dt03034c","","","0.71073","MoKα","","0.1322","0.0888","","","0.1648","0.1826","","","","","","1.189","","","","has coordinates","190173","2020-10-21","18:00:00",""
"7040965","15.393","0.005","15.023","0.004","20.366","0.006","90","","90.753","0.007","90","","4709","2","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C51 H121 Gd N2 O37 Ti11 -","- C51 Gd N2 O37 Ti11 -","- C102 Gd2 N4 O74 Ti22 -","2","1","","Zhang, Guang-Lin; Wang, Sheng; Hou, Jin-Le; Mo, Chong-Jiao; Que, Chen-Jie; Zhu, Qin-Yu; Dai, Jie","A lanthanide-titanium (LnTi11) oxo-cluster, a potential molecule based fluorescent labelling agent and photocatalyst.","Dalton transactions (Cambridge, England : 2003)","2016","45","44","17681","17686","10.1039/c6dt03034c","","","0.71075","MoKα","","0.0861","0.0683","","","0.139","0.1475","","","","","","1.114","","","","has coordinates","190173","2020-10-21","18:00:00",""
"7040966","10.7093","0.0013","11.0603","0.0013","15.9546","0.0019","107.932","0.002","95.926","0.002","104.175","0.002","1710.2","0.4","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C38 H36 N3 O2 P Pd S -","- C36 H32 N3 O P Pd S -","- C72 H64 N6 O2 P2 Pd2 S2 -","2","1","","Lucio-Martínez, Fátima; Adrio, Luis A.; Polo-Ces, Paula; Ortigueira, Juan M.; Fernández, Jesús J; Adams, Harry; Pereira, M. Teresa; Vila, José M","Palladacycle catalysis: an innovation to the Suzuki-Miyaura cross-coupling reaction.","Dalton transactions (Cambridge, England : 2003)","2016","45","44","17598","17601","10.1039/c6dt03542f","","","0.71073","MoKα","","0.0651","0.0353","","","0.0721","0.0817","","","","","","1","","","","has coordinates","190174","2020-10-21","18:00:00",""
"7040967","16.641","0.0011","18.9061","0.0013","46.041","0.003","90","","90","","90","","14485.3","1.7","100","2","100","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C142 H194 Cl Co3 Fe2 N25 O17 -","- C142 H168 Cl Co3 Fe2 N25 O17 -","- C568 H672 Cl4 Co12 Fe8 N100 O68 -","4","1","","Wei, Rong-Jia; Nakahara, Ryohei; Cameron, Jamie M.; Newton, Graham N.; Shiga, Takuya; Sagayama, Hajime; Kumai, Reiji; Murakami, Youichi; Oshio, Hiroki","Solvent-induced on/off switching of intramolecular electron transfer in a cyanide-bridged trigonal bipyramidal complex.","Dalton transactions (Cambridge, England : 2003)","2016","45","43","17104","17107","10.1039/c6dt03416k","","","0.71","MoKα","","0.1168","0.0803","","","0.1923","0.2157","","","","","","1.049","","","","has coordinates,has disorder","188180","2020-10-21","18:00:00",""
"7040968","17.278","0.002","18.94","0.002","48.462","0.006","90","","90","","90","","15859","3","300","2","300","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C142 H194 Cl Co3 Fe2 N25 O17 -","- C116 H104 Cl Co3 Fe2 N25 O4 -","- C464 H416 Cl4 Co12 Fe8 N100 O16 -","4","1","","Wei, Rong-Jia; Nakahara, Ryohei; Cameron, Jamie M.; Newton, Graham N.; Shiga, Takuya; Sagayama, Hajime; Kumai, Reiji; Murakami, Youichi; Oshio, Hiroki","Solvent-induced on/off switching of intramolecular electron transfer in a cyanide-bridged trigonal bipyramidal complex.","Dalton transactions (Cambridge, England : 2003)","2016","45","43","17104","17107","10.1039/c6dt03416k","","","0.71073","MoKα","","0.19","0.0741","","","0.1413","0.1579","","","","","","1.024","","","","has coordinates","188180","2020-10-21","18:00:00",""
"7040969","16.991","0.009","18.555","0.01","38.04","0.02","90","","90","","90","","11993","11","100","2","100","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C126 H145 Cl Co3 Fe2 N25 O9 -","- C116 H115 Cl Co3 Fe2 N25 O4 -","- C464 H460 Cl4 Co12 Fe8 N100 O16 -","4","1","","Wei, Rong-Jia; Nakahara, Ryohei; Cameron, Jamie M.; Newton, Graham N.; Shiga, Takuya; Sagayama, Hajime; Kumai, Reiji; Murakami, Youichi; Oshio, Hiroki","Solvent-induced on/off switching of intramolecular electron transfer in a cyanide-bridged trigonal bipyramidal complex.","Dalton transactions (Cambridge, England : 2003)","2016","45","43","17104","17107","10.1039/c6dt03416k","","","0.71073","MoKα","","0.2033","0.1655","","","0.4035","0.4256","","","","","","1.036","","","","has coordinates","188180","2020-10-21","18:00:00",""
"7040970","10.2464","0.0004","12.427","0.0006","17.6262","0.0007","84.434","0.003","76.892","0.003","77.143","0.004","2128.54","0.16","291","2","291.15","","","","","","","","","5","P -1","-P 1","2","","","","- C22 H19 O P Si -","- C22 H19 O P Si -","- C88 H76 O4 P4 Si4 -","4","2","","Zhou, Yang; Yang, Shuai; Li, Jun; He, Gufeng; Duan, Zheng; Mathey, Francois","Phosphorus and silicon-bridged stilbenes: synthesis and optoelectronic properties.","Dalton transactions (Cambridge, England : 2003)","2016","45","45","18308","18312","10.1039/c6dt03489f","","","1.54184","CuKα","","0.0498","0.0414","","","0.1161","0.1231","","","","","","1.044","","","","has coordinates","190153","2020-10-21","18:00:00",""
"7040971","9.4831","0.0003","10.0989","0.0003","10.6905","0.0004","100.852","0.001","108.66","0.001","110.136","0.001","857.93","0.05","170","2","170","2","","","","","","","","4","P -1","-P 1","2","","","","- C20 H13 Br2 P -","- C20 H13 Br2 P -","- C40 H26 Br4 P2 -","2","1","","Zhou, Yang; Yang, Shuai; Li, Jun; He, Gufeng; Duan, Zheng; Mathey, Francois","Phosphorus and silicon-bridged stilbenes: synthesis and optoelectronic properties.","Dalton transactions (Cambridge, England : 2003)","2016","45","45","18308","18312","10.1039/c6dt03489f","","","1.54178","CuKα","","0.0227","0.0211","","","0.0549","0.0557","","","","","","1.056","","","","has coordinates","190153","2020-10-21","18:00:00",""
"7040972","7.4697","0.0003","13.1773","0.0007","13.9099","0.0006","90","","95.109","0.004","90","","1363.72","0.11","292","0.2","292","0.2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","1,4-Dipiperazinium iodobismuthate tetrahydrate","","- C2 H10 Bi I4 N O2 -","- C2 H10 Bi I4 N O2 -","- C8 H40 Bi4 I16 N4 O8 -","4","1","","Dennington, Adam J.; Weller, Mark T.","Synthesis and structure of pseudo-three dimensional hybrid iodobismuthate semiconductors.","Dalton transactions (Cambridge, England : 2003)","2016","45","44","17974","17979","10.1039/c6dt03602c","","x-ray","0.71073","MoKα","","0.0634","0.0451","","","0.0957","0.1049","","","","","","1.044","","","","has coordinates","204134","2020-10-21","18:00:00",""
"7040973","7.3508","0.0002","13.0215","0.0004","13.9875","0.0003","90","","94.588","0.002","90","","1334.57","0.06","150.01","0.1","150.01","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","1,4-Dipiperazinium iodobismuthate tetrahydrate","","- C2 H10 Bi I4 N O2 -","- C2 H10 Bi I4 N O2 -","- C8 H40 Bi4 I16 N4 O8 -","4","1","","Dennington, Adam J.; Weller, Mark T.","Synthesis and structure of pseudo-three dimensional hybrid iodobismuthate semiconductors.","Dalton transactions (Cambridge, England : 2003)","2016","45","44","17974","17979","10.1039/c6dt03602c","","x-ray","0.71073","MoKα","","0.0446","0.0383","","","0.0856","0.0889","","","","","","1.145","","","","has coordinates","204134","2020-10-21","18:00:00",""
"7040974","7.6488","0.0004","13.1532","0.0008","13.7033","0.0007","90","","96.481","0.005","90","","1369.83","0.13","292.23","0.1","292.23","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","1-Methyl-1,4-Dipiperazinium iodobismuthate trihydrate","","- C5 H20 Bi2 I8 N2 O3 -","- C2.5 H3 Bi I4 N O1.5 -","- C10 H12 Bi4 I16 N4 O6 -","4","1","","Dennington, Adam J.; Weller, Mark T.","Synthesis and structure of pseudo-three dimensional hybrid iodobismuthate semiconductors.","Dalton transactions (Cambridge, England : 2003)","2016","45","44","17974","17979","10.1039/c6dt03602c","","x-ray","0.71073","MoKα","","0.059","0.0428","","","0.0894","0.097","","","","","","1.075","","","","has coordinates","204134","2020-10-21","18:00:00",""
"7040975","7.5434","0.0002","13.0515","0.0005","13.6716","0.0005","90","","96.347","0.003","90","","1337.76","0.08","149.95","0.1","149.95","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","1-Methyl-1,4-Dipiperazinium iodobismuthate trihydrate","","- C5 H20 Bi2 I8 N2 O3 -","- C2.5 H3 Bi I4 N O1.5 -","- C10 H12 Bi4 I16 N4 O6 -","4","1","","Dennington, Adam J.; Weller, Mark T.","Synthesis and structure of pseudo-three dimensional hybrid iodobismuthate semiconductors.","Dalton transactions (Cambridge, England : 2003)","2016","45","44","17974","17979","10.1039/c6dt03602c","","x-ray","0.71073","MoKα","","0.0381","0.0323","","","0.07","0.0722","","","","","","1.158","","","","has coordinates","204134","2020-10-21","18:00:00",""
"7040976","7.7971","0.0003","13.0868","0.0005","13.5505","0.0006","90","","97.925","0.004","90","","1369.48","0.1","286","9","286","9","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","1,4-Dimethyl-1,4-Dipiperazinium iodobismuthate dihydrate","","- C3 H10 Bi I4 N O -","- C3 H9 Bi I4 N O -","- C12 H36 Bi4 I16 N4 O4 -","4","1","","Dennington, Adam J.; Weller, Mark T.","Synthesis and structure of pseudo-three dimensional hybrid iodobismuthate semiconductors.","Dalton transactions (Cambridge, England : 2003)","2016","45","44","17974","17979","10.1039/c6dt03602c","","x-ray","0.71073","MoKα","","0.0654","0.0425","","","0.0761","0.0849","","","","","","1.021","","","","has coordinates","204134","2020-10-21","18:00:00",""
"7040977","7.7293","0.0002","13.0336","0.0003","13.499","0.0004","90","","97.955","0.003","90","","1346.81","0.06","150.1","0.1","150.1","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","1,4-Dimethyl-1,4-Dipiperazinium iodobismuthate dihydrate","","- C3 H10 Bi I4 N O -","- C3 H9 Bi I4 N O -","- C12 H36 Bi4 I16 N4 O4 -","4","1","","Dennington, Adam J.; Weller, Mark T.","Synthesis and structure of pseudo-three dimensional hybrid iodobismuthate semiconductors.","Dalton transactions (Cambridge, England : 2003)","2016","45","44","17974","17979","10.1039/c6dt03602c","","x-ray","0.71073","MoKα","","0.0402","0.0343","","","0.0765","0.0788","","","","","","1.15","","","","has coordinates","204134","2020-10-21","18:00:00",""
"7040978","13.3893","0.0004","13.6598","0.0004","20.3328","0.0005","88.293","0.002","87.214","0.002","66.693","0.002","3411.05","0.17","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C64 H76 O16 P4 Zn4 -","- C64 H76 O16 P4 Zn4 -","- C128 H152 O32 P8 Zn8 -","2","1","","Wolska-Pietkiewicz, Małgorzata; Swierkosz, Adam; Justyniak, Iwona; Grala, Agnieszka; Sokołowski, Kamil; Lewiński, Janusz","Alkylzinc diorganophosphates: synthesis, structural diversity and unique ability to incorporate zincoxane units.","Dalton transactions (Cambridge, England : 2003)","2016","45","47","18813","18816","10.1039/c6dt03324e","","","0.71073","MoKα","","0.0378","0.0293","","","0.0629","0.0656","","","","","","1.031","","","","has coordinates","190211","2020-10-21","18:00:00",""
"7040979","11.542","0.0001","15.798","0.0002","25.605","0.0004","78.419","0.001","83.387","0.001","89.908","0.001","4542.24","0.1","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C27.5 H64 O16 P4 Zn4 -","- C27.5 H64 O16 P4 Zn4 -","- C110 H256 O64 P16 Zn16 -","4","2","","Wolska-Pietkiewicz, Małgorzata; Swierkosz, Adam; Justyniak, Iwona; Grala, Agnieszka; Sokołowski, Kamil; Lewiński, Janusz","Alkylzinc diorganophosphates: synthesis, structural diversity and unique ability to incorporate zincoxane units.","Dalton transactions (Cambridge, England : 2003)","2016","45","47","18813","18816","10.1039/c6dt03324e","","","0.71073","MoKα","","0.0457","0.0399","","","0.0948","0.0978","","","","","","1.077","","","","has coordinates","192220","2020-10-21","18:00:00",""
"7040980","12.443","0.002","12.963","0.002","20.208","0.003","71.335","0.01","76.664","0.009","65.261","0.008","2786.9","0.8","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C49 H61 O15 P3 Zn5 -","- C49 H61 O15 P3 Zn5 -","- C98 H122 O30 P6 Zn10 -","2","1","","Wolska-Pietkiewicz, Małgorzata; Swierkosz, Adam; Justyniak, Iwona; Grala, Agnieszka; Sokołowski, Kamil; Lewiński, Janusz","Alkylzinc diorganophosphates: synthesis, structural diversity and unique ability to incorporate zincoxane units.","Dalton transactions (Cambridge, England : 2003)","2016","45","47","18813","18816","10.1039/c6dt03324e","","","0.71073","MoKα","","0.1642","0.1309","","","0.2484","0.2614","","","","","","1.248","","","","has coordinates","190211","2020-10-21","18:00:00",""
"7040981","12.8404","0.0002","12.5132","0.0002","16.2848","0.0003","90","","100.804","0.002","90","","2570.17","0.08","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H60 O26 P6 Zn9 -","- C20 H60 O26 P6 Zn9 -","- C40 H120 O52 P12 Zn18 -","2","0.5","","Wolska-Pietkiewicz, Małgorzata; Swierkosz, Adam; Justyniak, Iwona; Grala, Agnieszka; Sokołowski, Kamil; Lewiński, Janusz","Alkylzinc diorganophosphates: synthesis, structural diversity and unique ability to incorporate zincoxane units.","Dalton transactions (Cambridge, England : 2003)","2016","45","47","18813","18816","10.1039/c6dt03324e","","","0.71073","MoKα","","0.0314","0.024","","","0.0528","0.0549","","","","","","1.034","","","","has coordinates","190211","2020-10-21","18:00:00",""
"7040982","10.625","0.002","19.234","0.004","24.652","0.005","90","","92.87","0.03","90","","5031.6","1.7","173.15","","173.15","","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C58 H49 Br2 F5 N2 Ni O -","- C58 H49 Br2 F5 N2 Ni O -","- C232 H196 Br8 F20 N8 Ni4 O4 -","4","1","","Wang, Xinxin; Fan, Linlin; Yuan, Yichun; Du, Shizhen; Sun, Yang; Solan, Gregory A.; Guo, Cun-Yue; Sun, Wen-Hua","Raising the N-aryl fluoride content in unsymmetrical diaryliminoacenaphthylenes as a route to highly active nickel(ii) catalysts in ethylene polymerization.","Dalton transactions (Cambridge, England : 2003)","2016","45","45","18313","18323","10.1039/c6dt03817d","","","0.71073","MoKα","","0.0579","0.0498","","","0.0946","0.0985","","","","","","1.135","","","","has coordinates","190150","2020-10-21","18:00:00",""
"7040983","10.775","0.002","18.237","0.004","26.975","0.005","90","","90.04","0.03","90","","5300.7","1.8","173.15","","173.15","","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C53 H37 Br2 F5 N2 Ni -","- C53 H37 Br2 F5 N2 Ni -","- C212 H148 Br8 F20 N8 Ni4 -","4","1","","Wang, Xinxin; Fan, Linlin; Yuan, Yichun; Du, Shizhen; Sun, Yang; Solan, Gregory A.; Guo, Cun-Yue; Sun, Wen-Hua","Raising the N-aryl fluoride content in unsymmetrical diaryliminoacenaphthylenes as a route to highly active nickel(ii) catalysts in ethylene polymerization.","Dalton transactions (Cambridge, England : 2003)","2016","45","45","18313","18323","10.1039/c6dt03817d","","","0.71073","MoKα","","0.0915","0.0839","","","0.2177","0.2331","","","","","","1.045","","","","has coordinates","190150","2020-10-21","18:00:00",""
"7040984","10.2325","0.0008","13.7142","0.001","18.0873","0.0014","68.109","0.004","74.55","0.004","88.621","0.004","2262","0.3","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C48 H5 B F35 O P -","- C48 H5 B F35 O P -","- C96 H10 B2 F70 O2 P2 -","2","1","","LaFortune, James H. W.; Johnstone, Timothy C.; Pérez, Manuel; Winkelhaus, Daniel; Podgorny, Vitali; Stephan, Douglas W.","Electrophilic phenoxy-substituted phosphonium cations.","Dalton transactions (Cambridge, England : 2003)","2016","45","45","18156","18162","10.1039/c6dt03544b","","","0.71073","MoKα","","0.0777","0.0419","","","0.1016","0.1167","","","","","","0.937","","","","has coordinates,has disorder","190158","2020-10-21","18:00:00",""
"7040985","10.2204","0.0007","13.6806","0.001","18.2102","0.0014","109.296","0.003","106.289","0.003","90.83","0.004","2290.5","0.3","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C48 H4 B F36 O P -","- C48 H4 B F36 O P -","- C96 H8 B2 F72 O2 P2 -","2","1","","LaFortune, James H. W.; Johnstone, Timothy C.; Pérez, Manuel; Winkelhaus, Daniel; Podgorny, Vitali; Stephan, Douglas W.","Electrophilic phenoxy-substituted phosphonium cations.","Dalton transactions (Cambridge, England : 2003)","2016","45","45","18156","18162","10.1039/c6dt03544b","","","0.71073","MoKα","","0.1267","0.0493","","","0.0884","0.1097","","","","","","1.007","","","","has coordinates,has disorder","190158","2020-10-21","18:00:00",""
"7040986","10.2541","0.0016","13.655","0.002","18.222","0.003","109.009","0.011","106.19","0.01","90.783","0.011","2301.2","0.7","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C48 H3 B F37 O P -","- C48 H3 B F37 O P -","- C96 H6 B2 F74 O2 P2 -","2","1","","LaFortune, James H. W.; Johnstone, Timothy C.; Pérez, Manuel; Winkelhaus, Daniel; Podgorny, Vitali; Stephan, Douglas W.","Electrophilic phenoxy-substituted phosphonium cations.","Dalton transactions (Cambridge, England : 2003)","2016","45","45","18156","18162","10.1039/c6dt03544b","","","0.71073","MoKα","","0.1835","0.0661","","","0.1457","0.2051","","","","","","0.959","","","","has coordinates,has disorder","190158","2020-10-21","18:00:00",""
"7040987","10.4535","0.0008","27.119","0.002","17.4639","0.0014","90","","94.766","0.004","90","","4933.7","0.7","150","2","150","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C49 H2 B Cl2 F40 O P -","- C49 H2 B Cl2 F40 O P -","- C196 H8 B4 Cl8 F160 O4 P4 -","4","1","","LaFortune, James H. W.; Johnstone, Timothy C.; Pérez, Manuel; Winkelhaus, Daniel; Podgorny, Vitali; Stephan, Douglas W.","Electrophilic phenoxy-substituted phosphonium cations.","Dalton transactions (Cambridge, England : 2003)","2016","45","45","18156","18162","10.1039/c6dt03544b","","","0.71073","MoKα","","0.0775","0.0635","","","0.1262","0.1346","","","","","","1.15","","","","has coordinates,has disorder","190158","2020-10-21","18:00:00",""
"7040988","13.41","0.05","20.75","0.07","21.49","0.08","63.55","0.06","80.88","0.06","88.05","0.06","5282","3","100","2","100.01","","","","","","","","","5","P -1","-P 1","2","","Bis(1,4,5,8-tetraazaphenanthrene)(3-methyl-pyrazino[2,3-h]dipyrido[3,2-a:2?,3?-c]phenazine)ruthenium(II) chloride","","- C41 H24 Cl2 N14 Ru -","- C41 H23.5 Cl2 N14 Ru -","- C164 H94 Cl8 N56 Ru4 -","4","2","","Poulsen, Bjørn C; Estalayo-Adrián, Sandra; Blasco, Salvador; Bright, Sandra A.; Kelly, John M.; Williams, D. Clive; Gunnlaugsson, Thorfinnur","Luminescent ruthenium polypyridyl complexes with extended 'dppz' like ligands as DNA targeting binders and cellular agents.","Dalton transactions (Cambridge, England : 2003)","2016","45","45","18208","18220","10.1039/c6dt03792e","","","0.71073","MoKα","","0.2165","0.0992","","","0.2605","0.3361","","","","","","1.007","","","","has coordinates","193656","2020-10-21","18:00:00",""
"7040989","14.9292","0.0005","14.934","0.0006","35.2162","0.0012","90","","96.717","0.002","90","","7797.7","0.5","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","Bis(1,4,5,8-tetraazaphenanthrene)(dipyrido[3,2-a:2?,3?-c][1,2,5]thiadiazolo [3,4-4,3]phenazine)ruthenium(II) chloride","","- C38 H32 Cl2 N14 O6 Ru S -","- C38 H32 Cl2 N14 O6 Ru S -","- C304 H256 Cl16 N112 O48 Ru8 S8 -","8","1","","Poulsen, Bjørn C; Estalayo-Adrián, Sandra; Blasco, Salvador; Bright, Sandra A.; Kelly, John M.; Williams, D. Clive; Gunnlaugsson, Thorfinnur","Luminescent ruthenium polypyridyl complexes with extended 'dppz' like ligands as DNA targeting binders and cellular agents.","Dalton transactions (Cambridge, England : 2003)","2016","45","45","18208","18220","10.1039/c6dt03792e","","","1.54178","CuKα","","0.1006","0.0941","","","0.2101","0.2136","","","","","","1.254","","","","has coordinates","190147","2020-10-21","18:00:00",""
"7040990","10.5974","0.001","11.0324","0.0011","12.0904","0.0012","79.404","0.002","66.981","0.002","67.518","0.002","1201.1","0.2","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C25 H32 Co Fe S2 -","- C25 H32 Co Fe S2 -","- C50 H64 Co2 Fe2 S4 -","2","1","","Tong, Peng; Xie, Wenjie; Yang, Dawei; Wang, Baomin; Ji, Xiaoxiao; Li, Jianzhe; Qu, Jingping","Structural characterization and proton reduction electrocatalysis of thiolate-bridged bimetallic (CoCo and CoFe) complexes.","Dalton transactions (Cambridge, England : 2003)","2016","45","46","18559","18565","10.1039/c6dt03275c","","","0.71073","MoKα","","0.0453","0.0405","","","0.0998","0.1026","","","","","","1","","","","has coordinates","190105","2020-10-21","18:00:00",""
"7040991","16.773","0.005","15.626","0.005","10.675","0.003","90","","103.051","0.004","90","","2725.6","1.4","296","2","296","2","","","","","","","","7","C 1 2/m 1","-C 2y","12","","","","- C25 H31 Co F6 Fe P S2 -","- C25 H31 Co F6 Fe P S2 -","- C100 H124 Co4 F24 Fe4 P4 S8 -","4","0.5","","Tong, Peng; Xie, Wenjie; Yang, Dawei; Wang, Baomin; Ji, Xiaoxiao; Li, Jianzhe; Qu, Jingping","Structural characterization and proton reduction electrocatalysis of thiolate-bridged bimetallic (CoCo and CoFe) complexes.","Dalton transactions (Cambridge, England : 2003)","2016","45","46","18559","18565","10.1039/c6dt03275c","","","0.71073","MoKα","","0.0384","0.0352","","","0.1158","0.1186","","","","","","0.994","","","","has coordinates","190105","2020-10-21","18:00:00",""
"7040992","9.4287","0.0004","9.5832","0.0004","15.4379","0.0009","103.95","0.002","100.074","0.002","108.74","0.001","1232.73","0.11","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C26 H34 Co2 S2 -","- C26 H34 Co2 S2 -","- C52 H68 Co4 S4 -","2","1","","Tong, Peng; Xie, Wenjie; Yang, Dawei; Wang, Baomin; Ji, Xiaoxiao; Li, Jianzhe; Qu, Jingping","Structural characterization and proton reduction electrocatalysis of thiolate-bridged bimetallic (CoCo and CoFe) complexes.","Dalton transactions (Cambridge, England : 2003)","2016","45","46","18559","18565","10.1039/c6dt03275c","","","0.71073","MoKα","","0.0402","0.0338","","","0.1172","0.1272","","","","","","1.057","","","","has coordinates","190105","2020-10-21","18:00:00",""
"7040993","8.6584","0.0009","14.3968","0.0015","27.102","0.003","90","","93.701","0.002","90","","3371.3","0.6","220","2","220","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C27 H36 Cl2 Co2 F6 I P S2 -","- C27 H36 Cl2 Co2 F6 I P S2 -","- C108 H144 Cl8 Co8 F24 I4 P4 S8 -","4","1","","Tong, Peng; Xie, Wenjie; Yang, Dawei; Wang, Baomin; Ji, Xiaoxiao; Li, Jianzhe; Qu, Jingping","Structural characterization and proton reduction electrocatalysis of thiolate-bridged bimetallic (CoCo and CoFe) complexes.","Dalton transactions (Cambridge, England : 2003)","2016","45","46","18559","18565","10.1039/c6dt03275c","","","0.71073","MoKα","","0.0893","0.0772","","","0.1637","0.1699","","","","","","1.014","","","","has coordinates,has disorder","190105","2020-10-21","18:00:00",""
"7040994","9.7866","0.001","12.0453","0.0012","23.21","0.002","90","","95.489","0.002","90","","2723.5","0.5","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C26 H35 B Co2 F4 S2 -","- C26 H35 B Co2 F4 S2 -","- C104 H140 B4 Co8 F16 S8 -","4","1","","Tong, Peng; Xie, Wenjie; Yang, Dawei; Wang, Baomin; Ji, Xiaoxiao; Li, Jianzhe; Qu, Jingping","Structural characterization and proton reduction electrocatalysis of thiolate-bridged bimetallic (CoCo and CoFe) complexes.","Dalton transactions (Cambridge, England : 2003)","2016","45","46","18559","18565","10.1039/c6dt03275c","","","0.71073","MoKα","","0.0423","0.036","","","0.0906","0.0944","","","","","","1.002","","","","has coordinates","190105","2020-10-21","18:00:00",""
"7040995","12.0388","0.001","14.0169","0.0012","16.3482","0.0014","67.9924","0.0014","68.7999","0.0014","64.7066","0.0014","2244.7","0.3","100","2","100","2","","","","","","","","7","P -1","-P 1","2","[(OEP)Fe(NO)(5-MeIm)]SbF6","","","- C42 H45.5 F9 Fe N8 O5 Sb1.5 -","- C42 H45.5 F9 Fe N8 O5 Sb1.5 -","- C84 H91 F18 Fe2 N16 O10 Sb3 -","2","1","","Abucayon, E. G.; Khade, R. L.; Powell, D. R.; Shaw, M. J.; Zhang, Y.; Richter-Addo, G B","Over or under: hydride attack at the metal versus the coordinated nitrosyl ligand in ferric nitrosyl porphyrins.","Dalton transactions (Cambridge, England : 2003)","2016","45","45","18259","18266","10.1039/c6dt03860c","","","0.71073","MoKα","","0.097","0.0646","","","0.1648","0.1854","","","","","","1.01","","","","has coordinates,has disorder","190157","2020-10-21","18:00:00",""
"7040996","12.424","0.002","13.832","0.003","15.083","0.003","100.515","0.003","112.954","0.003","109.155","0.003","2106.1","0.7","100","2","100","2","","","","","","","","8","P -1","-P 1","2","[(OEP)Fe(NO)]OTf","","","- C39 H48 Cl4 F3 Fe N5 O4 S -","- C39 H48 Cl4 F3 Fe N5 O4 S -","- C78 H96 Cl8 F6 Fe2 N10 O8 S2 -","2","1","","Abucayon, E. G.; Khade, R. L.; Powell, D. R.; Shaw, M. J.; Zhang, Y.; Richter-Addo, G B","Over or under: hydride attack at the metal versus the coordinated nitrosyl ligand in ferric nitrosyl porphyrins.","Dalton transactions (Cambridge, England : 2003)","2016","45","45","18259","18266","10.1039/c6dt03860c","","","0.71073","MoKα","","0.054","0.0358","","","0.0865","0.0902","","","","","","1","","","","has coordinates","190157","2020-10-21","18:00:00",""
"7040997","8.1895","0.0017","10.858","0.0017","14.312","0.003","68.926","0.013","85.576","0.016","74.327","0.014","1143.1","0.4","150.15","","150.15","","","","","","","","","5","P -1","-P 1","2","","","","- C31 H19 Al N2 O4 -","- C31 H19 Al N2 O4 -","- C62 H38 Al2 N4 O8 -","2","1","","Großmann, Nicolas; Magri, Andrea; Laux, Martin; Stadtmüller, Benjamin; Thielen, Philip; Schäfer, Bernhard; Fuhr, Olaf; Ruben, Mario; Cinchetti, Mirko; Aeschlimann, Martin","Controlled manipulation of the Co-Alq3 interface by rational design of Alq3 derivatives.","Dalton transactions (Cambridge, England : 2003)","2016","45","45","18365","18376","10.1039/c6dt03183h","","x-ray","0.71073","MoKα","","0.3069","0.0487","","","0.061","0.1153","","","","","","0.477","","","","has coordinates","190165","2020-10-21","18:00:00",""
"7040998","10.202","0.0006","22.8575","0.0013","9.0184","0.0005","90","","93.469","0.001","90","","2099.2","0.2","90","2","90","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C48 H32 Fe N14 S2 -","- C48 H32 Fe N14 S2 -","- C96 H64 Fe2 N28 S4 -","2","0.5","","Wang, Jun-Li; Liu, Qiang; Lv, Xiao-Jin; Wang, Rui-Lin; Duan, Chun-Ying; Liu, Tao","Magnetic fluorescent bifunctional spin-crossover complexes.","Dalton transactions (Cambridge, England : 2003)","2016","45","46","18552","18558","10.1039/c6dt03714c","","","0.71073","MoKα","","0.0543","0.0388","","","0.0824","0.0881","","","","","","1.013","","","","has coordinates","190098","2020-10-21","18:00:00",""
"7040999","10.2742","0.0011","22.857","0.002","9.2335","0.0009","90","","93.909","0.003","90","","2163.3","0.4","282","2","282","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C48 H32 Fe N14 S2 -","- C48 H32 Fe N14 S2 -","- C96 H64 Fe2 N28 S4 -","2","0.5","","Wang, Jun-Li; Liu, Qiang; Lv, Xiao-Jin; Wang, Rui-Lin; Duan, Chun-Ying; Liu, Tao","Magnetic fluorescent bifunctional spin-crossover complexes.","Dalton transactions (Cambridge, England : 2003)","2016","45","46","18552","18558","10.1039/c6dt03714c","","","0.71073","MoKα","","0.1081","0.0548","","","0.1002","0.1165","","","","","","1.032","","","","has coordinates","190098","2020-10-21","18:00:00",""
"7041000","9.1743","0.0003","9.6666","0.0004","12.7883","0.0005","70.17","0.002","78.101","0.002","83.778","0.002","1043.04","0.07","90","2","90","2","","","","","","","","5","P -1","-P 1","2","","","","- C48 H32 Fe N14 Se2 -","- C48 H32 Fe N14 Se2 -","- C48 H32 Fe N14 Se2 -","1","0.5","","Wang, Jun-Li; Liu, Qiang; Lv, Xiao-Jin; Wang, Rui-Lin; Duan, Chun-Ying; Liu, Tao","Magnetic fluorescent bifunctional spin-crossover complexes.","Dalton transactions (Cambridge, England : 2003)","2016","45","46","18552","18558","10.1039/c6dt03714c","","","0.71073","MoKα","","0.0603","0.0381","","","0.0698","0.0761","","","","","","1.05","","","","has coordinates","190098","2020-10-21","18:00:00",""
"7041001","9.5547","0.0015","9.5691","0.0016","12.99","0.002","70.296","0.005","77.186","0.006","83.752","0.006","1089.5","0.3","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C48 H32 Fe N14 Se2 -","- C48 H32 Fe N14 Se2 -","- C48 H32 Fe N14 Se2 -","1","0.5","","Wang, Jun-Li; Liu, Qiang; Lv, Xiao-Jin; Wang, Rui-Lin; Duan, Chun-Ying; Liu, Tao","Magnetic fluorescent bifunctional spin-crossover complexes.","Dalton transactions (Cambridge, England : 2003)","2016","45","46","18552","18558","10.1039/c6dt03714c","","","0.71073","MoKα","","0.0488","0.0345","","","0.0874","0.095","","","","","","1.013","","","","has coordinates","190098","2020-10-21","18:00:00",""
"7041002","9.3483","0.0005","12.3288","0.0005","12.3228","0.0005","90","","109.413","0.005","90","","1339.5","0.11","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- Ce7 Co2 Ge4 -","- Ce7 Co2 Ge4 -","- Ce28 Co8 Ge16 -","4","1","","Ponou, Siméon; Lidin, Sven","Exo-bonded six-membered heterocycle in the crystal structures of RE7Co2Ge4 (RE = La-Nd).","Dalton transactions (Cambridge, England : 2003)","2016","45","46","18522","18531","10.1039/c6dt03302d","","","0.71073","MoKα","","0.0379","0.0289","","","0.059","0.0616","","","","","","1.261","","","","has coordinates","190099","2020-10-21","18:00:00",""
"7041003","9.4109","0.0002","12.5208","0.0004","12.5096","0.0003","90","","109.68","0.002","90","","1387.93","0.07","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- Co2 Ge4 La7 -","- Co2 Ge4 La7 -","- Co8 Ge16 La28 -","4","1","","Ponou, Siméon; Lidin, Sven","Exo-bonded six-membered heterocycle in the crystal structures of RE7Co2Ge4 (RE = La-Nd).","Dalton transactions (Cambridge, England : 2003)","2016","45","46","18522","18531","10.1039/c6dt03302d","","","0.71069","MoKα","","0.0502","0.0409","","","0.0967","0.0989","","","","","","0.879","","","","has coordinates","190099","2020-10-21","18:00:00",""
"7041004","9.2373","0.0004","12.2352","0.0006","12.2392","0.0006","90","","109.505","0.004","90","","1303.89","0.11","293","","293","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- Co2 Ge4 Pr7 -","- Co2 Ge4 Pr7 -","- Co8 Ge16 Pr28 -","4","1","","Ponou, Siméon; Lidin, Sven","Exo-bonded six-membered heterocycle in the crystal structures of RE7Co2Ge4 (RE = La-Nd).","Dalton transactions (Cambridge, England : 2003)","2016","45","46","18522","18531","10.1039/c6dt03302d","","x-ray","0.7107","MoKα","","0.0506","0.0307","","","0.0839","0.0924","","","","1.48","1.48","1.37","","","","has coordinates","190099","2020-10-21","18:00:00",""
"7041005","9.1859","0.0005","12.2022","0.0006","12.2","0.0008","90","","109.478","0.007","90","","1289.21","0.14","293","","293","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- Co2 Ge4 Nd7 -","- Co Ge2 Nd3.5 -","- Co4 Ge8 Nd14 -","4","1","","Ponou, Siméon; Lidin, Sven","Exo-bonded six-membered heterocycle in the crystal structures of RE7Co2Ge4 (RE = La-Nd).","Dalton transactions (Cambridge, England : 2003)","2016","45","46","18522","18531","10.1039/c6dt03302d","","x-ray","0.7107","MoKα","","0.0747","0.036","","","0.0902","0.1087","","","","1.29","1.29","1.18","","","","has coordinates","190099","2020-10-21","18:00:00",""
"7041006","11.0327","0.0003","14.2185","0.0003","11.9259","0.0004","90","","95.618","0.002","90","","1861.81","0.09","170","2","170","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C34 H36 N6 Ni O8 S2 -","- C34 H36 N6 Ni O8 S2 -","- C68 H72 N12 Ni2 O16 S4 -","2","1","","Suckert, Stefan; Rams, Michał; Böhme, Michael; Germann, Luzia S.; Dinnebier, Robert E.; Plass, Winfried; Werner, Julia; Näther, Christian","Synthesis, structures, magnetic, and theoretical investigations of layered Co and Ni thiocyanate coordination polymers.","Dalton transactions (Cambridge, England : 2003)","2016","45","45","18190","18201","10.1039/c6dt03752f","","","0.71073","MoKα","","0.034","0.0305","","","0.0754","0.0767","","","","","","1.064","","","","has coordinates,has disorder","190151","2020-10-21","18:00:00",""
"7041007","14.8063","0.0009","9.5965","0.0003","15.782","0.0008","90","","113.01","0.004","90","","2064.03","0.19","200","2","200","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C18 H18 N4 Ni O4 S2 -","- C18 H18 N4 Ni O4 S2 -","- C72 H72 N16 Ni4 O16 S8 -","4","1","","Suckert, Stefan; Rams, Michał; Böhme, Michael; Germann, Luzia S.; Dinnebier, Robert E.; Plass, Winfried; Werner, Julia; Näther, Christian","Synthesis, structures, magnetic, and theoretical investigations of layered Co and Ni thiocyanate coordination polymers.","Dalton transactions (Cambridge, England : 2003)","2016","45","45","18190","18201","10.1039/c6dt03752f","","","0.71073","MoKα","","0.0615","0.0497","","","0.11","0.1162","","","","","","1.084","","","","has coordinates,has disorder","190151","2020-10-21","18:00:00",""
"7041008","11.9253","0.0019","16.17","0.003","9.0441","0.0012","90","","90","","90","","1744","0.5","200","2","200","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C10 H26 Cl2 N4 P2 Pd -","- C10 H26 Cl2 N4 P2 Pd -","- C40 H104 Cl8 N16 P8 Pd4 -","4","1","","Itazaki, Masumi; Tsuchida, Noriko; Shigesato, Yuka; Takano, Keiko; Nakazawa, Hiroshi","R/X exchange reactions in cis-[M(R)2{P(X)(NMeCH2)2}2] (M = Pd, Pt), via a phosphenium intermediate.","Dalton transactions (Cambridge, England : 2003)","2016","45","48","19216","19220","10.1039/c6dt02314b","","","0.7107","MoKα","","0.0382","0.0349","","","0.0664","0.0675","","","","","","1.138","","","","has coordinates","190133","2020-10-21","18:00:00",""
"7041009","16.534","0.002","12.1735","0.0015","9.4837","0.0012","90","","90","","90","","1908.8","0.4","200","2","200","2","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C8 H20 Cl2 I2 N4 P2 Pt -","- C8 H20 Cl2 I2 N4 P2 Pt -","- C32 H80 Cl8 I8 N16 P8 Pt4 -","4","1","","Itazaki, Masumi; Tsuchida, Noriko; Shigesato, Yuka; Takano, Keiko; Nakazawa, Hiroshi","R/X exchange reactions in cis-[M(R)2{P(X)(NMeCH2)2}2] (M = Pd, Pt), via a phosphenium intermediate.","Dalton transactions (Cambridge, England : 2003)","2016","45","48","19216","19220","10.1039/c6dt02314b","","","0.7107","MoKα","","0.0336","0.032","","","0.065","0.0655","","","","","","1.114","","","","has coordinates","190133","2020-10-21","18:00:00",""
"7041010","12.007","0.002","16.096","0.003","9.0774","0.0016","90","","90","","90","","1754.3","0.5","200","2","200","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C10 H26 Cl2 N4 P2 Pt -","- C10 H26 Cl2 N4 P2 Pt -","- C40 H104 Cl8 N16 P8 Pt4 -","4","1","","Itazaki, Masumi; Tsuchida, Noriko; Shigesato, Yuka; Takano, Keiko; Nakazawa, Hiroshi","R/X exchange reactions in cis-[M(R)2{P(X)(NMeCH2)2}2] (M = Pd, Pt), via a phosphenium intermediate.","Dalton transactions (Cambridge, England : 2003)","2016","45","48","19216","19220","10.1039/c6dt02314b","","","0.7107","MoKα","","0.0395","0.0336","","","0.0539","0.0555","","","","","","1.187","","","","has coordinates","190133","2020-10-21","18:00:00",""
"7041011","10.0497","0.0004","32.6793","0.0015","16.1968","0.0007","90","","91.935","0.002","90","","5316.3","0.4","200","2","200","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C22 H34 Cl2 N4 P2 Pt -","- C22 H34 Cl2 N4 P2 Pt -","- C176 H272 Cl16 N32 P16 Pt8 -","8","2","","Itazaki, Masumi; Tsuchida, Noriko; Shigesato, Yuka; Takano, Keiko; Nakazawa, Hiroshi","R/X exchange reactions in cis-[M(R)2{P(X)(NMeCH2)2}2] (M = Pd, Pt), via a phosphenium intermediate.","Dalton transactions (Cambridge, England : 2003)","2016","45","48","19216","19220","10.1039/c6dt02314b","","","0.7107","MoKα","","0.0629","0.0484","","","0.0668","0.0701","","","","","","1.191","","","","has coordinates","190133","2020-10-21","18:00:00",""
"7041012","19.79","0.0017","19.79","0.0017","9.32","0.0009","90","","90","","90","","3650.1","0.6","200","2","200","2","","","","","","","","6","P -4 21 c","P -4 2n","114","","","","- C10 H26 Br2 N4 P2 Pt -","- C10 H26 Br2 N4 P2 Pt -","- C80 H208 Br16 N32 P16 Pt8 -","8","1","","Itazaki, Masumi; Tsuchida, Noriko; Shigesato, Yuka; Takano, Keiko; Nakazawa, Hiroshi","R/X exchange reactions in cis-[M(R)2{P(X)(NMeCH2)2}2] (M = Pd, Pt), via a phosphenium intermediate.","Dalton transactions (Cambridge, England : 2003)","2016","45","48","19216","19220","10.1039/c6dt02314b","","","0.7107","MoKα","","0.0513","0.0473","","","0.0709","0.0737","","","","","","1.251","","","","has coordinates","190133","2020-10-21","18:00:00",""
"7041013","11.246","0.003","9.1156","0.0019","17.511","0.004","90","","96.035","0.005","90","","1785.2","0.7","200","2","200","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C10 H26 Cl2 N4 P2 Pt -","- C10 H26 Cl2 N4 P2 Pt -","- C40 H104 Cl8 N16 P8 Pt4 -","4","0.5","","Itazaki, Masumi; Tsuchida, Noriko; Shigesato, Yuka; Takano, Keiko; Nakazawa, Hiroshi","R/X exchange reactions in cis-[M(R)2{P(X)(NMeCH2)2}2] (M = Pd, Pt), via a phosphenium intermediate.","Dalton transactions (Cambridge, England : 2003)","2016","45","48","19216","19220","10.1039/c6dt02314b","","","0.7107","MoKα","","0.0301","0.0283","","","0.058","0.0586","","","","","","1.169","","","","has coordinates","190133","2020-10-21","18:00:00",""
"7041014","8.0758","0.0001","25.2815","0.0003","16.1326","0.0003","90","","112.381","0.018","90","","3045.7","0.4","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H34 Fe N10 O8 -","- C28 H32.5 Fe N10 O8 -","- C112 H130 Fe4 N40 O32 -","4","1","","Jornet-Mollá, Verónica; Duan, Yan; Giménez-Saiz, Carlos; Waerenborgh, João C; Romero, Francisco M.","Hydrogen-bonded networks of [Fe(bpp)2](2+) spin crossover complexes and dicarboxylate anions: structural and photomagnetic properties.","Dalton transactions (Cambridge, England : 2003)","2016","45","44","17918","17928","10.1039/c6dt02934e","","","0.71073","MoKα","","0.1031","0.0543","","","0.1397","0.189","","","","","","1.076","","","","has coordinates","190186","2020-10-21","18:00:00",""
"7041015","8.0628","0.0004","16.4572","0.0007","24.6825","0.0011","98.352","0.004","90.601","0.004","93.125","0.004","3235","0.3","128","1","128","1","","","","","","","","5","P -1","-P 1","2","","","","- C32 H32 Fe N10 O7 -","- C32 H32 Fe N10 O7 -","- C128 H128 Fe4 N40 O28 -","4","2","","Jornet-Mollá, Verónica; Duan, Yan; Giménez-Saiz, Carlos; Waerenborgh, João C; Romero, Francisco M.","Hydrogen-bonded networks of [Fe(bpp)2](2+) spin crossover complexes and dicarboxylate anions: structural and photomagnetic properties.","Dalton transactions (Cambridge, England : 2003)","2016","45","44","17918","17928","10.1039/c6dt02934e","","","0.71073","MoKα","","0.1801","0.0789","","","0.1143","0.1528","","","","","","1.013","","","","has coordinates","190186","2020-10-21","18:00:00",""
"7041016","8.1799","0.0004","8.0776","0.0004","25.926","0.0012","90.532","0.004","93.15","0.004","89.37","0.004","1710.28","0.14","120","0.1","120","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C30 H32 Fe N10 O9 -","- C30 H22 Fe N10 O9 -","- C60 H44 Fe2 N20 O18 -","2","1","","Jornet-Mollá, Verónica; Duan, Yan; Giménez-Saiz, Carlos; Waerenborgh, João C; Romero, Francisco M.","Hydrogen-bonded networks of [Fe(bpp)2](2+) spin crossover complexes and dicarboxylate anions: structural and photomagnetic properties.","Dalton transactions (Cambridge, England : 2003)","2016","45","44","17918","17928","10.1039/c6dt02934e","","","0.71073","MoKα","","0.1966","0.1275","","","0.3066","0.358","","","","","","1.086","","","","has coordinates,has disorder","190186","2020-10-21","18:00:00",""
"7041017","34.1814","0.0009","34.1814","0.0009","34.1814","0.0009","90","","90","","90","","39936.5","1.8","123","2","123","2","","","","","","","","6","I a -3 d","-I 4bd 2c 3","230","","","","- C56 H64 Fe2 N16 O12 W -","- C56 H58 Fe2 N16 O12 W -","- C1344 H1392 Fe48 N384 O288 W24 -","24","0.25","","Wei, Rong-Min; Kong, Ming; Cao, Fan; Li, Jing; Pu, Tian-Cheng; Yang, Li; Zhang, Xiu-Ling; Song, You","Water induced spin-crossover behaviour and magneto-structural correlation in octacyanotungstate(iv)-based iron(ii) complexes.","Dalton transactions (Cambridge, England : 2003)","2016","45","46","18643","18652","10.1039/c6dt03421g","","","0.71073","MoKα","","0.0976","0.0573","","","0.1567","0.2101","","","","","","1.078","","","","has coordinates,has disorder","190118","2020-10-21","18:00:00",""
"7041018","34.8807","0.0009","34.8807","0.0009","34.8807","0.0009","90","","90","","90","","42438.1","1.9","296","2","296","2","","","","","","","","6","I a -3 d","-I 4bd 2c 3","230","","","","- C56 H64 Fe2 N16 O12 W -","- C56 H58 Fe2 N16 O12 W -","- C1344 H1392 Fe48 N384 O288 W24 -","24","0.25","","Wei, Rong-Min; Kong, Ming; Cao, Fan; Li, Jing; Pu, Tian-Cheng; Yang, Li; Zhang, Xiu-Ling; Song, You","Water induced spin-crossover behaviour and magneto-structural correlation in octacyanotungstate(iv)-based iron(ii) complexes.","Dalton transactions (Cambridge, England : 2003)","2016","45","46","18643","18652","10.1039/c6dt03421g","","","0.71073","MoKα","","0.0875","0.0526","","","0.1462","0.1894","","","","","","1.083","","","","has coordinates,has disorder","190118","2020-10-21","18:00:00",""
"7041019","14.1192","0.0009","26.6083","0.0017","30.5398","0.0019","90","","90","","90","","11473.4","1.3","296","2","296","2","","","","","","","","5","F d d d","-F 2uv 2vw","70","","","","- C56 H56 Fe2 N16 W -","- C56 H56 Fe2 N16 W -","- C448 H448 Fe16 N128 W8 -","8","","","Wei, Rong-Min; Kong, Ming; Cao, Fan; Li, Jing; Pu, Tian-Cheng; Yang, Li; Zhang, Xiu-Ling; Song, You","Water induced spin-crossover behaviour and magneto-structural correlation in octacyanotungstate(iv)-based iron(ii) complexes.","Dalton transactions (Cambridge, England : 2003)","2016","45","46","18643","18652","10.1039/c6dt03421g","","","0.71073","MoKα","","0.0303","0.0273","","","0.0868","0.0894","","","","","","1.068","","","","has coordinates","190118","2020-10-21","18:00:00",""
"7041020","20.2282","0.0006","20.2282","0.0006","13.8297","0.0008","90","","90","","90","","5658.8","0.4","296","2","296","2","","","","","","","","6","I 41/a m d","-I 4bd 2","141","","","","- C56 H56 Fe2 N16 O8 W -","- C56 H56 Fe2 N16 O8 W -","- C224 H224 Fe8 N64 O32 W4 -","4","","","Wei, Rong-Min; Kong, Ming; Cao, Fan; Li, Jing; Pu, Tian-Cheng; Yang, Li; Zhang, Xiu-Ling; Song, You","Water induced spin-crossover behaviour and magneto-structural correlation in octacyanotungstate(iv)-based iron(ii) complexes.","Dalton transactions (Cambridge, England : 2003)","2016","45","46","18643","18652","10.1039/c6dt03421g","","","0.71073","MoKα","","0.0316","0.0306","","","0.0741","0.0747","","","","","","1.061","","","","has coordinates","190118","2020-10-21","18:00:00",""
"7041021","20.549","0.0018","20.549","0.0018","13.464","0.002","90","","90","","90","","5685.3","1.1","296","2","296","2","","","","","","","","5","I 41/a","-I 4ad","88","","","","- C56 H56 Fe2 N16 W -","- C56 H56 Fe2 N16 W -","- C224 H224 Fe8 N64 W4 -","4","","","Wei, Rong-Min; Kong, Ming; Cao, Fan; Li, Jing; Pu, Tian-Cheng; Yang, Li; Zhang, Xiu-Ling; Song, You","Water induced spin-crossover behaviour and magneto-structural correlation in octacyanotungstate(iv)-based iron(ii) complexes.","Dalton transactions (Cambridge, England : 2003)","2016","45","46","18643","18652","10.1039/c6dt03421g","","","0.71073","MoKα","","0.057","0.0337","","","0.0766","0.0853","","","","","","1.089","","","","has coordinates,has disorder","190118","2020-10-21","18:00:00",""
"7041022","34.502","0.003","34.502","0.003","34.502","0.003","90","","90","","90","","41071","6","200","2","200","2","","","","","","","","6","I a -3 d","-I 4bd 2c 3","230","","","","- C56 H64 Fe2 N16 O12 W -","- C56 H58 Fe2 N16 O12 W -","- C1344 H1392 Fe48 N384 O288 W24 -","24","0.25","","Wei, Rong-Min; Kong, Ming; Cao, Fan; Li, Jing; Pu, Tian-Cheng; Yang, Li; Zhang, Xiu-Ling; Song, You","Water induced spin-crossover behaviour and magneto-structural correlation in octacyanotungstate(iv)-based iron(ii) complexes.","Dalton transactions (Cambridge, England : 2003)","2016","45","46","18643","18652","10.1039/c6dt03421g","","","0.71073","MoKα","","0.1122","0.0598","","","0.1617","0.2213","","","","","","1.064","","","","has coordinates,has disorder","190118","2020-10-21","18:00:00",""
"7041023","20.173","0.002","20.173","0.002","14.554","0.003","90","","90","","90","","5922.7","1.5","296","2","296","2","","","","","","","","6","I 41/a m d","-I 4bd 2","141","","","","- C56 H56 Fe2 N16 O8 W -","- C56 H24 Fe2 N16 O8 W -","- C224 H96 Fe8 N64 O32 W4 -","4","","","Wei, Rong-Min; Kong, Ming; Cao, Fan; Li, Jing; Pu, Tian-Cheng; Yang, Li; Zhang, Xiu-Ling; Song, You","Water induced spin-crossover behaviour and magneto-structural correlation in octacyanotungstate(iv)-based iron(ii) complexes.","Dalton transactions (Cambridge, England : 2003)","2016","45","46","18643","18652","10.1039/c6dt03421g","","","0.71073","MoKα","","0.1357","0.0967","","","0.2366","0.2808","","","","","","1.171","","","","has coordinates","190118","2020-10-21","18:00:00",""
"7041024","11.57001","0.00013","23.4809","0.0003","19.3336","0.0002","90","","90.8133","0.0012","90","","5251.91","0.1","99.97","0.13","99.97","0.13","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C34 H70 Ce Co2 N6 O18 P6 -","- C34 H70 Ce Co2 N6 O18 P6 -","- C136 H280 Ce4 Co8 N24 O72 P24 -","4","1","","Au-Yeung, Ka-Chun; So, Yat-Ming; Sung, Herman H.-Y.; Williams, Ian D.; Leung, Wa-Hung","Tetravalent cerium pseudohalide complexes supported by the Kläui tripodal ligand [Co(η(5)-C5H5){P(O)(OEt)2}3]().","Dalton transactions (Cambridge, England : 2003)","2016","45","45","18163","18170","10.1039/c6dt03740b","","x-ray","1.5418","CuKα","","0.0826","0.0606","","","0.1476","0.1596","","","","","","1.001","","","","has coordinates,has disorder","190162","2020-10-21","18:00:00",""
"7041025","53.8313","0.0008","13.75432","0.00014","22.3077","0.0002","90","","90","","90","","16516.9","0.3","99.9","0.5","99.9","0.5","","","","","","","","8","P n a 21","P 2c -2n","33","","","","- C74 H105 B2 Ce Co2 N2 O18.5 P6 -","- C74 H100 B2 Ce Co2 N2 O18.5 P6 -","- C592 H800 B16 Ce8 Co16 N16 O148 P48 -","8","2","","Au-Yeung, Ka-Chun; So, Yat-Ming; Sung, Herman H.-Y.; Williams, Ian D.; Leung, Wa-Hung","Tetravalent cerium pseudohalide complexes supported by the Kläui tripodal ligand [Co(η(5)-C5H5){P(O)(OEt)2}3]().","Dalton transactions (Cambridge, England : 2003)","2016","45","45","18163","18170","10.1039/c6dt03740b","","x-ray","1.5418","CuKα","","0.0827","0.0576","","","0.1204","0.1304","","","","","","1.001","","","","has coordinates,has disorder","190162","2020-10-21","18:00:00",""
"7041026","24.4099","0.0003","19.09733","0.00018","13.83242","0.00015","90","","90","","90","","6448.18","0.12","99.9","0.5","99.9","0.5","","","","","","","","9","P n m a","-P 2ac 2n","62","","","","- C39 H75 Ce Cl6 Co2 N2 O18 P6 S2 -","- C39 H75 Ce Cl6 Co2 N2 O18 P6 S2 -","- C156 H300 Ce4 Cl24 Co8 N8 O72 P24 S8 -","4","0.5","","Au-Yeung, Ka-Chun; So, Yat-Ming; Sung, Herman H.-Y.; Williams, Ian D.; Leung, Wa-Hung","Tetravalent cerium pseudohalide complexes supported by the Kläui tripodal ligand [Co(η(5)-C5H5){P(O)(OEt)2}3]().","Dalton transactions (Cambridge, England : 2003)","2016","45","45","18163","18170","10.1039/c6dt03740b","","x-ray","1.5418","CuKα","","0.0816","0.0543","","","0.1181","0.1288","","","","","","1.001","","","","has coordinates,has disorder","190162","2020-10-21","18:00:00",""
"7041027","23.9797","0.0003","20.7737","0.0002","24.0697","0.0003","90","","90","","90","","11990.3","0.2","99.9","0.5","99.9","0.5","","","","","","","","7","P b c n","-P 2n 2ab","60","","","","- C71 H147 Ce4 Co4 N18 O39 P12 -","- C71 H7 Ce4 Co4 N18 O39 P12 -","- C284 H28 Ce16 Co16 N72 O156 P48 -","4","0.5","","Au-Yeung, Ka-Chun; So, Yat-Ming; Sung, Herman H.-Y.; Williams, Ian D.; Leung, Wa-Hung","Tetravalent cerium pseudohalide complexes supported by the Kläui tripodal ligand [Co(η(5)-C5H5){P(O)(OEt)2}3]().","Dalton transactions (Cambridge, England : 2003)","2016","45","45","18163","18170","10.1039/c6dt03740b","","x-ray","0.71073","MoKα","","0.0649","0.0466","","","0.1208","0.1309","","","","","","1.003","","","","has coordinates,has disorder","190162","2020-10-21","18:00:00",""
"7041028","12.49","0.0001","13.051","0.0002","40.656","0.0005","90","","92.163","0.001","90","","6622.49","0.14","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C84 H76 O6 Sn2 -","- C84 H76 O6 Sn2 -","- C336 H304 O24 Sn8 -","4","1","","Hill, Michael S.; Johnson, Andrew L.; Lowe, John P.; Molloy, Kieran C.; Parish, James D.; Wildsmith, Thomas; Kingsley, Andrew L.","Aerosol-assisted CVD of SnO from stannous alkoxide precursors.","Dalton transactions (Cambridge, England : 2003)","2016","45","45","18252","18258","10.1039/c6dt02508k","","","0.71073","MoKα","","0.0626","0.0403","","","0.0743","0.0808","","","","","","1.099","","","","has coordinates","190163","2020-10-21","18:00:00",""
"7041029","9.7376","0.0007","10.0924","0.0006","12.1457","0.0009","77.187","0.006","68.707","0.007","87.128","0.006","1083.84","0.14","150","2","150","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C52 H44 O4 Sn2 -","- C52 H44 O4 Sn2 -","- C52 H44 O4 Sn2 -","1","0.5","","Hill, Michael S.; Johnson, Andrew L.; Lowe, John P.; Molloy, Kieran C.; Parish, James D.; Wildsmith, Thomas; Kingsley, Andrew L.","Aerosol-assisted CVD of SnO from stannous alkoxide precursors.","Dalton transactions (Cambridge, England : 2003)","2016","45","45","18252","18258","10.1039/c6dt02508k","","x-ray","0.71073","MoKα","","0.0676","0.0512","","","0.1206","0.1317","","","","","","1.04","","","","has coordinates","190163","2020-10-21","18:00:00",""
"7041030","22.269","0.007","7.4606","0.0018","26.014","0.008","90","","90","","90","","4322","2","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C25.25 H22.75 Dy N4.25 O3.25 -","- C25.25 H22.75 Dy N4.25 O3.25 -","- C202 H182 Dy8 N34 O26 -","8","1","","Canaj, Angelos B.; Siczek, Milosz; Otręba, Marta; Lis, Tadeusz; Lorusso, Giulia; Evangelisti, Marco; Milios, Constantinos J.","Building 1D lanthanide chains and non-symmetrical [Ln2] ""triple-decker"" clusters using salen-type ligands: magnetic cooling and relaxation phenomena.","Dalton transactions (Cambridge, England : 2003)","2016","45","46","18591","18602","10.1039/c6dt02932a","","","0.71073","MoKα","","0.0883","0.049","","","0.0622","0.0713","","","","","","1.012","","","","has coordinates,has disorder","190108","2020-10-21","18:00:00",""
"7041031","10.328","0.004","17.582","0.005","18.751","0.006","82.66","0.03","85.97","0.03","82.48","0.03","3343","2","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C87 H66 Dy2 N6 O9 -","- C87 H66 Dy2 N6 O9 -","- C174 H132 Dy4 N12 O18 -","2","1","","Canaj, Angelos B.; Siczek, Milosz; Otręba, Marta; Lis, Tadeusz; Lorusso, Giulia; Evangelisti, Marco; Milios, Constantinos J.","Building 1D lanthanide chains and non-symmetrical [Ln2] ""triple-decker"" clusters using salen-type ligands: magnetic cooling and relaxation phenomena.","Dalton transactions (Cambridge, England : 2003)","2016","45","46","18591","18602","10.1039/c6dt02932a","","","0.71073","MoKα","","0.0765","0.043","","","0.0706","0.0746","","","","","","1.011","","","","has coordinates","190108","2020-10-21","18:00:00",""
"7041032","29.66","0.007","20.958","0.005","7.3955","0.0018","90","","90","","90","","4597.1","1.9","100","2","100","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C26.5 H27 Gd N2 O4.5 -","- C26.5 H27 Gd N2 O4.5 -","- C212 H216 Gd8 N16 O36 -","8","1","","Canaj, Angelos B.; Siczek, Milosz; Otręba, Marta; Lis, Tadeusz; Lorusso, Giulia; Evangelisti, Marco; Milios, Constantinos J.","Building 1D lanthanide chains and non-symmetrical [Ln2] ""triple-decker"" clusters using salen-type ligands: magnetic cooling and relaxation phenomena.","Dalton transactions (Cambridge, England : 2003)","2016","45","46","18591","18602","10.1039/c6dt02932a","","","0.71073","MoKα","","0.0566","0.039","","","0.0911","0.096","","","","","","1.05","","","","has coordinates,has disorder","190108","2020-10-21","18:00:00",""
"7041033","22.27","0.008","26.5","0.009","7.373","0.003","90","","90","","90","","4351","3","100","2","100","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C25.5 H21.5 N2 O3.5 Tb -","- C25.5 H21.5 N2 O3.5 Tb -","- C204 H172 N16 O28 Tb8 -","8","1","","Canaj, Angelos B.; Siczek, Milosz; Otręba, Marta; Lis, Tadeusz; Lorusso, Giulia; Evangelisti, Marco; Milios, Constantinos J.","Building 1D lanthanide chains and non-symmetrical [Ln2] ""triple-decker"" clusters using salen-type ligands: magnetic cooling and relaxation phenomena.","Dalton transactions (Cambridge, England : 2003)","2016","45","46","18591","18602","10.1039/c6dt02932a","","","0.71073","MoKα","","0.1861","0.089","","","0.1155","0.1429","","","","","","1.032","","","","has coordinates,has disorder","190108","2020-10-21","18:00:00",""
"7041034","22.386","0.009","7.523","0.003","26.158","0.011","90","","90","","90","","4405","3","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C25.25 H22.75 N4.25 O3.25 Tb -","- C25.25 H22.75 N4.25 O3.25 Tb -","- C202 H182 N34 O26 Tb8 -","8","1","","Canaj, Angelos B.; Siczek, Milosz; Otręba, Marta; Lis, Tadeusz; Lorusso, Giulia; Evangelisti, Marco; Milios, Constantinos J.","Building 1D lanthanide chains and non-symmetrical [Ln2] ""triple-decker"" clusters using salen-type ligands: magnetic cooling and relaxation phenomena.","Dalton transactions (Cambridge, England : 2003)","2016","45","46","18591","18602","10.1039/c6dt02932a","","","0.71073","MoKα","","0.1517","0.073","","","0.082","0.0995","","","","","","1.045","","","","has coordinates,has disorder","190108","2020-10-21","18:00:00",""
"7041035","22.387","0.008","7.56","0.003","26.153","0.005","90","","90","","90","","4426","3","120","2","120","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C25.25 H22.75 Gd N4.25 O3.25 -","- C25.25 H22.75 Gd N4.25 O3.25 -","- C202 H182 Gd8 N34 O26 -","8","1","","Canaj, Angelos B.; Siczek, Milosz; Otręba, Marta; Lis, Tadeusz; Lorusso, Giulia; Evangelisti, Marco; Milios, Constantinos J.","Building 1D lanthanide chains and non-symmetrical [Ln2] ""triple-decker"" clusters using salen-type ligands: magnetic cooling and relaxation phenomena.","Dalton transactions (Cambridge, England : 2003)","2016","45","46","18591","18602","10.1039/c6dt02932a","","","0.71073","MoKα","","0.2338","0.1073","","","0.1514","0.1948","","","","","","1.044","","","","has coordinates,has disorder","190108","2020-10-21","18:00:00",""
"7041036","9.265","0.0005","10.4475","0.0005","17.2106","0.0009","97.388","0.002","90.531","0.002","114.214","0.002","1503.19","0.14","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C32 H25 N0 Nd O14 -","- C32 H25 Nd O14 -","- C64 H50 Nd2 O28 -","2","1","","Wang, Jun; Dou, Wei; Kirillov, Alexander M.; Liu, Weisheng; Xu, Cailing; Fang, Ran; Yang, Lizi","Hybrid materials based on novel 2D lanthanide coordination polymers covalently bonded to amine-modified SBA-15 and MCM-41: assembly, characterization, structural features, thermal and luminescence properties.","Dalton transactions (Cambridge, England : 2003)","2016","45","46","18610","18621","10.1039/c6dt03558b","","","0.71073","MoKα","","0.0567","0.0508","","","0.1344","0.1383","","","","","","1.069","","","","has coordinates","190114","2020-10-21","18:00:00",""
"7041037","7.95347","0.00019","34.1449","0.0011","18.8756","0.0004","90","","93.8013","0.0019","90","","5114.8","0.2","295.42","0.1","295.42","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C54 H43 N O21 Tb2 -","- C54 H43 N O21 Tb2 -","- C216 H172 N4 O84 Tb8 -","4","1","","Wang, Jun; Dou, Wei; Kirillov, Alexander M.; Liu, Weisheng; Xu, Cailing; Fang, Ran; Yang, Lizi","Hybrid materials based on novel 2D lanthanide coordination polymers covalently bonded to amine-modified SBA-15 and MCM-41: assembly, characterization, structural features, thermal and luminescence properties.","Dalton transactions (Cambridge, England : 2003)","2016","45","46","18610","18621","10.1039/c6dt03558b","","x-ray","0.71073","MoKα","","0.0618","0.0475","","","0.093","0.101","","","","","","1.069","","","","has coordinates,has disorder","190114","2020-10-21","18:00:00",""
"7041038","9.6512","0.0014","9.9482","0.0014","12.889","0.0018","102.876","0.002","99","0.002","96.733","0.002","1176.6","0.3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C48 H16 Cu2 F20 N4 O8 -","- C48 H16 Cu2 F20 N4 O8 -","- C48 H16 Cu2 F20 N4 O8 -","1","0.5","","Han, Li-Juan; Kong, Ya-Jie; Yan, Ting-Jiang; Fan, Lu-Tong; Zhang, Qi; Zhao, Hua-Jun; Zheng, He-Gen","A new five-coordinated copper compound for efficient degradation of methyl orange and Congo red in the absence of UV-visible radiation.","Dalton transactions (Cambridge, England : 2003)","2016","45","46","18566","18571","10.1039/c6dt03273g","","","0.71073","MoKα","","0.0596","0.0376","","","0.0768","0.0848","","","","","","1.02","","","","has coordinates","190117","2020-10-21","18:00:00",""
"7041039","9.6531","0.0019","9.952","0.002","12.89","0.003","102.83","0.03","99.04","0.03","96.71","0.03","1177.5","0.5","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C48 H16 Cu2 F20 N4 O8 -","- C48 H16 Cu2 F20 N4 O8 -","- C48 H16 Cu2 F20 N4 O8 -","1","0.5","","Han, Li-Juan; Kong, Ya-Jie; Yan, Ting-Jiang; Fan, Lu-Tong; Zhang, Qi; Zhao, Hua-Jun; Zheng, He-Gen","A new five-coordinated copper compound for efficient degradation of methyl orange and Congo red in the absence of UV-visible radiation.","Dalton transactions (Cambridge, England : 2003)","2016","45","46","18566","18571","10.1039/c6dt03273g","","","0.71073","MoKα","","0.0351","0.0281","","","0.0689","0.0721","","","","","","1.015","","","","has coordinates","190117","2020-10-21","18:00:00",""
"7041040","6.983","0.0007","18.8482","0.0017","17.0174","0.0016","90","","97.969","0.001","90","","2218.1","0.4","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H20 Cu N2 O5 -","- C24 H20 Cu N2 O5 -","- C96 H80 Cu4 N8 O20 -","4","1","","Han, Li-Juan; Kong, Ya-Jie; Yan, Ting-Jiang; Fan, Lu-Tong; Zhang, Qi; Zhao, Hua-Jun; Zheng, He-Gen","A new five-coordinated copper compound for efficient degradation of methyl orange and Congo red in the absence of UV-visible radiation.","Dalton transactions (Cambridge, England : 2003)","2016","45","46","18566","18571","10.1039/c6dt03273g","","","0.71073","MoKα","","0.0367","0.0304","","","0.0785","0.0812","","","","","","1.046","","","","has coordinates","190117","2020-10-21","18:00:00",""
"7041041","10.4566","0.0004","10.8854","0.0004","23.552","0.006","77.019","0.003","78.705","0.003","85.437","0.003","2559.9","0.7","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C56 H54 N4 Ni4 O13 -","- C56 H54 N4 Ni4 O13 -","- C112 H108 N8 Ni8 O26 -","2","1","","Herchel, Radovan; Nemec, Ivan; Machata, Marek; Trávníček, Zdeněk","Solvent-induced structural diversity in tetranuclear Ni(ii) Schiff-base complexes: the first Ni4 single-molecule magnet with a defective dicubane-like topology.","Dalton transactions (Cambridge, England : 2003)","2016","45","46","18622","18634","10.1039/c6dt03520e","","","0.71073","MoKα","","0.079","0.04","","","0.0834","0.0883","","","","","","0.928","","","","has coordinates","190119","2020-10-21","18:00:00",""
"7041042","12.5714","0.0006","15.1014","0.001","21.0065","0.0013","90","","111.223","0.004","90","","3717.5","0.4","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C74 H86 N6 Ni4 O12 -","- C74 H86 N6 Ni4 O12 -","- C148 H172 N12 Ni8 O24 -","2","0.5","","Herchel, Radovan; Nemec, Ivan; Machata, Marek; Trávníček, Zdeněk","Solvent-induced structural diversity in tetranuclear Ni(ii) Schiff-base complexes: the first Ni4 single-molecule magnet with a defective dicubane-like topology.","Dalton transactions (Cambridge, England : 2003)","2016","45","46","18622","18634","10.1039/c6dt03520e","","","0.71073","MoKα","","0.0464","0.0331","","","0.0868","0.0898","","","","","","0.967","","","","has coordinates,has disorder","190119","2020-10-21","18:00:00",""
"7041043","10.1081","0.0002","5.45455","0.00012","17.4938","0.0004","90","","95.0814","0.0019","90","","960.73","0.04","106","","106","","","","","","","","","5","P 1 2/n 1","-P 2yac","13","","","","- C18 H32 N2 O4 Zn -","- C18 H32 N2 O4 Zn -","- C36 H64 N4 O8 Zn2 -","2","0.5","","O' Donoghue, Richard; Peeters, Daniel; Rogalla, Detlef; Becker, Hans-Werner; Rechmann, Julian; Henke, Sebastian; Winter, Manuela; Devi, Anjana","Systematic molecular engineering of Zn-ketoiminates for application as precursors in atomic layer depositions of zinc oxide.","Dalton transactions (Cambridge, England : 2003)","2016","45","47","19012","19023","10.1039/c6dt03571j","","","0.71073","MoKα","","0.0251","0.0225","","","0.0562","0.0572","","","","","","1.118","","","","has coordinates","190217","2020-10-21","18:00:00",""
"7041044","21.5697","0.0005","5.67097","0.00008","17.9276","0.0004","90","","127.823","0.004","90","","1732.21","0.11","110","2","110","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C16 H28 N2 O2 Zn -","- C16 H28 N2 O2 Zn -","- C64 H112 N8 O8 Zn4 -","4","1","","O' Donoghue, Richard; Peeters, Daniel; Rogalla, Detlef; Becker, Hans-Werner; Rechmann, Julian; Henke, Sebastian; Winter, Manuela; Devi, Anjana","Systematic molecular engineering of Zn-ketoiminates for application as precursors in atomic layer depositions of zinc oxide.","Dalton transactions (Cambridge, England : 2003)","2016","45","47","19012","19023","10.1039/c6dt03571j","","x-ray","1.54184","CuKα","","0.0369","0.0366","","","0.0994","0.0997","","","","","","1.047","","","","has coordinates","190217","2020-10-21","18:00:00",""
"7041045","13.2557","0.0004","5.8905","0.0001","13.9479","0.0006","90","","106.615","0.003","90","","1043.62","0.06","105.5","0.8","113.15","","","","","","","","","5","P 1 2/n 1","-P 2yac","13","","","","- C18 H32 N2 O4 Zn -","- C18 H32 N2 O4 Zn -","- C36 H64 N4 O8 Zn2 -","2","0.5","","O' Donoghue, Richard; Peeters, Daniel; Rogalla, Detlef; Becker, Hans-Werner; Rechmann, Julian; Henke, Sebastian; Winter, Manuela; Devi, Anjana","Systematic molecular engineering of Zn-ketoiminates for application as precursors in atomic layer depositions of zinc oxide.","Dalton transactions (Cambridge, England : 2003)","2016","45","47","19012","19023","10.1039/c6dt03571j","","x-ray","1.54178","CuKα","","0.0308","0.0301","","","0.0802","0.081","","","","","","1.066","","","","has coordinates","190217","2020-10-21","18:00:00",""
"7041046","10.6251","0.0002","5.4088","0.0001","20.367","0.0003","90","","102.906","0.002","90","","1140.9","0.04","113","2","113.15","","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C20 H38 N4 O2 Zn -","- C20 H38 N4 O2 Zn -","- C40 H76 N8 O4 Zn2 -","2","0.5","","O' Donoghue, Richard; Peeters, Daniel; Rogalla, Detlef; Becker, Hans-Werner; Rechmann, Julian; Henke, Sebastian; Winter, Manuela; Devi, Anjana","Systematic molecular engineering of Zn-ketoiminates for application as precursors in atomic layer depositions of zinc oxide.","Dalton transactions (Cambridge, England : 2003)","2016","45","47","19012","19023","10.1039/c6dt03571j","","","0.71073","MoKα","","0.0234","0.0222","","","0.0557","0.0563","","","","","","1.144","","","","has coordinates","190217","2020-10-21","18:00:00",""
"7041047","15.473","0.002","9.3703","0.0013","26.875","0.004","90","","100.928","0.002","90","","3825.9","0.9","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C46 H36 Cl2 N4 P2 -","- C46 H36 Cl2 N4 P2 -","- C184 H144 Cl8 N16 P8 -","4","1","","Naik, Susmita; Kumar, Saurabh; Mague, Joel T.; Balakrishna, Maravanji S.","A hybrid terpyridine-based bis(diphenylphosphino)amine ligand, terpy-C6H4N(PPh2)2: synthesis, coordination chemistry and photoluminescence studies.","Dalton transactions (Cambridge, England : 2003)","2016","45","46","18434","18437","10.1039/c6dt03440c","","","0.71073","MoKα","","0.0883","0.0683","","","0.1913","0.2042","","","","","","1.042","","","","has coordinates","190097","2020-10-21","18:00:00",""
"7041048","10.247","0.003","13.871","0.004","27.16","0.008","96.116","0.004","101.187","0.004","92.193","0.004","3758.6","1.9","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C73 H59 Cl16 N4 P3 Ru -","- C73 H59 Cl16 N4 P3 Ru -","- C146 H118 Cl32 N8 P6 Ru2 -","2","1","","Naik, Susmita; Kumar, Saurabh; Mague, Joel T.; Balakrishna, Maravanji S.","A hybrid terpyridine-based bis(diphenylphosphino)amine ligand, terpy-C6H4N(PPh2)2: synthesis, coordination chemistry and photoluminescence studies.","Dalton transactions (Cambridge, England : 2003)","2016","45","46","18434","18437","10.1039/c6dt03440c","","","0.71073","MoKα","","0.1047","0.082","","","0.1955","0.2059","","","","","","1.081","","","","has coordinates","190097","2020-10-21","18:00:00",""
"7041049","14.8261","0.0011","18.0649","0.001","18.2676","0.0014","90","","99.056","0.007","90","","4831.7","0.6","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C47 H36 Cl8 N4 P2 Pd -","- C47 H36 Cl8 N4 P2 Pd -","- C188 H144 Cl32 N16 P8 Pd4 -","4","0.5","","Naik, Susmita; Kumar, Saurabh; Mague, Joel T.; Balakrishna, Maravanji S.","A hybrid terpyridine-based bis(diphenylphosphino)amine ligand, terpy-C6H4N(PPh2)2: synthesis, coordination chemistry and photoluminescence studies.","Dalton transactions (Cambridge, England : 2003)","2016","45","46","18434","18437","10.1039/c6dt03440c","","","0.71073","MoKα","","0.0747","0.0527","","","0.0935","0.1082","","","","","","1.056","","","","has coordinates","190097","2020-10-21","18:00:00",""
"7041050","12.9034","0.0006","13.0595","0.0006","16.7151","0.0006","98.626","0.003","92.793","0.003","97.092","0.004","2757","0.2","150","2","150","","","","","","","","","6","P -1","-P 1","2","","","","- C60 H52 Au2 Cl4 N4 P2 -","- C60 H52 Au2 Cl4 N4 P2 -","- C120 H104 Au4 Cl8 N8 P4 -","2","1","","Naik, Susmita; Kumar, Saurabh; Mague, Joel T.; Balakrishna, Maravanji S.","A hybrid terpyridine-based bis(diphenylphosphino)amine ligand, terpy-C6H4N(PPh2)2: synthesis, coordination chemistry and photoluminescence studies.","Dalton transactions (Cambridge, England : 2003)","2016","45","46","18434","18437","10.1039/c6dt03440c","","","0.71073","MoKα","","0.0345","0.029","","","0.0666","0.0691","","","","","","1.045","","","","has coordinates,has disorder","190097","2020-10-21","18:00:00",""
"7041051","9.12","0.002","21.317","0.004","13.736","0.003","90","","94.41","0.03","90","","2662.5","1","293","2","293","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C19 H20 Cl Cu2 N13 O5 S2 -","- C19 H20 Cl Cu2 N13 O5 S2 -","- C76 H80 Cl4 Cu8 N52 O20 S8 -","4","1","","Gil-García, Rubén; Ugalde, María; Busto, Natalia; Lozano, Héctor J; Leal, José M; Pérez, Begoña; Madariaga, Gotzon; Insausti, Maite; Lezama, Luis; Sanz, Roberto; Gómez-Sainz, Lidia M; García, Begoña; García-Tojal, Javier","Selectivity of a thiosemicarbazonatocopper(ii) complex towards duplex RNA. Relevant noncovalent interactions both in solid state and solution.","Dalton transactions (Cambridge, England : 2003)","2016","45","46","18704","18718","10.1039/c6dt02907h","","","0.71073","MoKα","","0.2133","0.0503","","","","0.0867","","","","","","0.716","","","","has coordinates","190115","2020-10-21","18:00:00",""
"7041052","15.564","0.005","22.845","0.018","17.255","0.01","90","","97.41","0.06","90","","6084","6","293","2","293","2","","","","","","","","7","P 1 21/a 1","-P 2yab","14","","","","- C38 H41 Cl3 Cu4 N26 O14 S4 -","- C38 H41 Cl3 Cu4 N26 O14 S4 -","- C152 H164 Cl12 Cu16 N104 O56 S16 -","4","1","","Gil-García, Rubén; Ugalde, María; Busto, Natalia; Lozano, Héctor J; Leal, José M; Pérez, Begoña; Madariaga, Gotzon; Insausti, Maite; Lezama, Luis; Sanz, Roberto; Gómez-Sainz, Lidia M; García, Begoña; García-Tojal, Javier","Selectivity of a thiosemicarbazonatocopper(ii) complex towards duplex RNA. Relevant noncovalent interactions both in solid state and solution.","Dalton transactions (Cambridge, England : 2003)","2016","45","46","18704","18718","10.1039/c6dt02907h","","","0.71073","MoKα","","0.3031","0.0688","","","","0.155","","","","","","0.665","","","","has coordinates,has disorder","204134","2020-10-21","18:00:00",""
"7041053","17.661","0.01","9.779","0.003","22.809","0.008","90","","103.96","0.06","90","","3823","3","293","2","293","2","","","","","","","","7","I 1 2/a 1","-I 2ya","15","","","","- C26 H30 Cl2 Cu2 N18 O11 S2 -","- C26 H30 Cl2 Cu2 N18 O11 S2 -","- C104 H120 Cl8 Cu8 N72 O44 S8 -","4","0.5","","Gil-García, Rubén; Ugalde, María; Busto, Natalia; Lozano, Héctor J; Leal, José M; Pérez, Begoña; Madariaga, Gotzon; Insausti, Maite; Lezama, Luis; Sanz, Roberto; Gómez-Sainz, Lidia M; García, Begoña; García-Tojal, Javier","Selectivity of a thiosemicarbazonatocopper(ii) complex towards duplex RNA. Relevant noncovalent interactions both in solid state and solution.","Dalton transactions (Cambridge, England : 2003)","2016","45","46","18704","18718","10.1039/c6dt02907h","","","0.71073","MoKα","","0.0856","0.047","","","","0.1306","","","","","","0.905","","","","has coordinates","190115","2020-10-21","18:00:00",""
"7041054","7.164","0.002","11.561","0.007","12.416","0.004","98.38","0.06","104.31","0.04","99.69","0.06","963.1","0.8","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C11 H16 Cl Cu N7 O7 S -","- C11 H16 Cl Cu N7 O7 S -","- C22 H32 Cl2 Cu2 N14 O14 S2 -","2","1","","Gil-García, Rubén; Ugalde, María; Busto, Natalia; Lozano, Héctor J; Leal, José M; Pérez, Begoña; Madariaga, Gotzon; Insausti, Maite; Lezama, Luis; Sanz, Roberto; Gómez-Sainz, Lidia M; García, Begoña; García-Tojal, Javier","Selectivity of a thiosemicarbazonatocopper(ii) complex towards duplex RNA. Relevant noncovalent interactions both in solid state and solution.","Dalton transactions (Cambridge, England : 2003)","2016","45","46","18704","18718","10.1039/c6dt02907h","","","0.71073","MoKα","","0.1752","0.0571","","","","0.1524","","","","","","0.747","","","","has coordinates","190115","2020-10-21","18:00:00",""
"7041055","10.4989","0.0019","7.0047","0.0013","30.274","0.006","90","","96.088","0.003","90","","2213.8","0.7","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C19 H17 Eu N4 O10 S2 -","- C19 H17 Eu N4 O10 S2 -","- C76 H68 Eu4 N16 O40 S8 -","4","1","","Wei, Yongqin; Sa, Rongjian; Wu, Kechen","A highly stable and white-light-emitting Eu(iii) MOF.","Dalton transactions (Cambridge, England : 2003)","2016","45","46","18661","18667","10.1039/c6dt03655d","","","0.71073","MoKα","","0.0355","0.0283","","","0.0893","0.1103","","","","","","1.028","","","","has coordinates","190121","2020-10-21","18:00:00",""
"7041056","9.912","0.008","10.882","0.009","11.977","0.009","97.866","0.008","91.933","0.003","115.337","0.014","1150.4","1.6","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C20 H16 Eu N4 O11 S2 -","- C20 H16 Eu N4 O11 S2 -","- C40 H32 Eu2 N8 O22 S4 -","2","1","","Wei, Yongqin; Sa, Rongjian; Wu, Kechen","A highly stable and white-light-emitting Eu(iii) MOF.","Dalton transactions (Cambridge, England : 2003)","2016","45","46","18661","18667","10.1039/c6dt03655d","","","0.71073","MoKα","","0.0402","0.0336","","","0.0713","0.0743","","","","","","0.989","","","","has coordinates","190121","2020-10-21","18:00:00",""
"7041057","13.2854","0.0001","22.9612","0.0002","13.5352","0.0001","90","","95.692","0.001","90","","4108.54","0.06","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Compound 2","","- C153 H144 Cu12 N28 O67 Tb4 -","- C153 H144 Cu12 N28 O67 Tb4 -","- C153 H144 Cu12 N28 O67 Tb4 -","1","0.25","","Dhers, Sébastien; Feltham, Humphrey L. C.; Rouzières, Mathieu; Clérac, Rodolphe; Brooker, Sally","Macrocyclic {3d-4f} SMMs as building blocks for 1D-polymers: selective bridging of 4f ions by use of an O-donor ligand.","Dalton transactions (Cambridge, England : 2003)","2016","45","45","18089","18093","10.1039/c6dt03734h","","","1.54184","CuKα","","0.0668","0.0585","","","0.1885","0.1914","","","","","","1.163","","","","has coordinates,has disorder","190145","2020-10-21","18:00:00",""
"7041058","10.3774","0.0012","10.9073","0.0013","17.1427","0.0019","91.742","0.005","93.68","0.005","106.816","0.005","1851.1","0.4","92","2","92","2","","","","","","","","6","P -1","-P 1","2","","Compound 1","","- C32 H32 Cu3 N9 O17 Tb -","- C32 H32 Cu3 N9 O17 Tb -","- C64 H64 Cu6 N18 O34 Tb2 -","2","1","","Dhers, Sébastien; Feltham, Humphrey L. C.; Rouzières, Mathieu; Clérac, Rodolphe; Brooker, Sally","Macrocyclic {3d-4f} SMMs as building blocks for 1D-polymers: selective bridging of 4f ions by use of an O-donor ligand.","Dalton transactions (Cambridge, England : 2003)","2016","45","45","18089","18093","10.1039/c6dt03734h","","","0.71073","MoKα","","0.0601","0.0518","","","0.1167","0.1212","","","","","","1.142","","","","has coordinates","190145","2020-10-21","18:00:00",""
"7041059","19.8858","0.0009","11.4146","0.0005","9.5384","0.0005","90","","108.344","0.002","90","","2055.08","0.17","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C22 H12 Co N4 O8 -","- C22 H12 Co N4 O8 -","- C88 H48 Co4 N16 O32 -","4","0.5","","Tian, Hua; Cheng, Ai-Ling; Gao, En-Qing","Ferro- or antiferromagnetic interactions controlled by ditopic or chelating auxiliary ligands in 3D metal-organic frameworks.","Dalton transactions (Cambridge, England : 2003)","2016","45","46","18696","18703","10.1039/c6dt03975h","","","0.71073","MoKα","","0.0351","0.0314","","","0.0822","0.0853","","","","","","1.03","","","","has coordinates","190106","2020-10-21","18:00:00",""
"7041060","22.3802","0.0006","10.2363","0.0003","8.9794","0.0002","90","","98.46","0.001","90","","2034.71","0.09","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C24 H12 Co N4 O8 -","- C24 H12 Co N4 O8 -","- C96 H48 Co4 N16 O32 -","4","0.5","","Tian, Hua; Cheng, Ai-Ling; Gao, En-Qing","Ferro- or antiferromagnetic interactions controlled by ditopic or chelating auxiliary ligands in 3D metal-organic frameworks.","Dalton transactions (Cambridge, England : 2003)","2016","45","46","18696","18703","10.1039/c6dt03975h","","","0.71073","MoKα","","0.0602","0.0581","","","0.1499","0.1518","","","","","","1.022","","","","has coordinates","190106","2020-10-21","18:00:00",""
"7041061","17.7867","0.001","13.6324","0.0007","9.8647","0.0005","90","","116.202","0.001","90","","2146.2","0.2","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C24 H14 Co N4 O8 -","- C24 H14 Co N4 O8 -","- C96 H56 Co4 N16 O32 -","4","0.5","","Tian, Hua; Cheng, Ai-Ling; Gao, En-Qing","Ferro- or antiferromagnetic interactions controlled by ditopic or chelating auxiliary ligands in 3D metal-organic frameworks.","Dalton transactions (Cambridge, England : 2003)","2016","45","46","18696","18703","10.1039/c6dt03975h","","","0.71073","MoKα","","0.0313","0.0283","","","0.0789","0.0811","","","","","","0.999","","","","has coordinates,has disorder","190106","2020-10-21","18:00:00",""
"7041062","8.991","0.004","16.122","0.007","22.047","0.01","90","","91.154","0.007","90","","3195","2","113","2","113","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C34 H45 Li O3 Si -","- C34 H45 Li O3 Si -","- C136 H180 Li4 O12 Si4 -","4","1","","Tian, Dawei; Li, Xiaofei; Liu, YuanYuan; Cao, Yue; Li, Tianhao; Hu, Hongfan; Cui, Chunming","Synthesis and study of an unprecedented 1-hydro-1-lithio-1-silafluorene anion.","Dalton transactions (Cambridge, England : 2003)","2016","45","46","18447","18449","10.1039/c6dt02533a","","","0.71073","MoKα","","0.1173","0.0994","","","0.2372","0.25","","","","","","1.148","","","","has coordinates,has disorder","190109","2020-10-21","18:00:00",""
"7041063","17.244","0.002","8.1023","0.001","13.7251","0.0015","90","","96.258","0.012","90","","1906.2","0.4","100.05","0.1","100.05","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","L3-Cu[ClO4]2","ligand [(1-methyl-4,5-dihydro-1H-imidazol-2-yl)methyl](2-ethyl)amine]Cu[ClO4]2","","- C12 H20 Cl2 Cu N6 O8 -","- C12 H20 Cl2 Cu N6 O8 -","- C48 H80 Cl8 Cu4 N24 O32 -","4","1","","Jain, Rahul; Gibson, Tony J.; Mashuta, Mark S.; Buchanan, Robert M.; Grapperhaus, Craig A.","Copper catalysed aerobic oxidation of benzylic alcohols in an imidazole containing N4 ligand framework.","Dalton transactions (Cambridge, England : 2003)","2016","45","45","18356","18364","10.1039/c6dt03395d","","","0.71073","MoKα","","0.043","0.0379","","","0.0936","0.0971","","","","","","1.032","","","","has coordinates","190159","2020-10-21","18:00:00",""
"7041064","23","0.0005","8.71951","0.00015","30.2613","0.0006","90","","92.295","0.002","90","","6064","0.2","100.4","0.6","100.4","0.6","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","[HL3-Cu(CH3CN)2][ClO4]3","[HL3-Cu(CH3CN)2][ClO4]3","","- C18 H30 Cl3 Cu N9 O12 -","- C18 H30 Cl3 Cu N9 O12 -","- C144 H240 Cl24 Cu8 N72 O96 -","8","2","","Jain, Rahul; Gibson, Tony J.; Mashuta, Mark S.; Buchanan, Robert M.; Grapperhaus, Craig A.","Copper catalysed aerobic oxidation of benzylic alcohols in an imidazole containing N4 ligand framework.","Dalton transactions (Cambridge, England : 2003)","2016","45","45","18356","18364","10.1039/c6dt03395d","","","0.71073","MoKα","","0.0488","0.0374","","","0.0903","0.0963","","","","","","1.081","","","","has coordinates","190159","2020-10-21","18:00:00",""
"7041065","13.4","0.0002","13.881","0.0002","17.5344","0.0003","90","","90","","90","","3261.49","0.09","100","","100","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C10 H24 Mn N4 O10 -","- C10 H24 Mn N4 O10 -","- C80 H192 Mn8 N32 O80 -","8","1","","Frost, Jamie M.; Kettles, Fraser J.; Wilson, Claire; Murrie, Mark","Rational serendipity: ""undirected"" synthesis of a large {MnCu} complex from pre-formed Mn(II) building blocks.","Dalton transactions (Cambridge, England : 2003)","2016","45","45","18094","18097","10.1039/c6dt03914f","","","0.71073","MoKα","","0.0345","0.0271","","","0.0683","0.0713","","","","","","1.047","","","","has coordinates","190160","2020-10-21","18:00:00",""
"7041066","27.5814","0.0006","27.5814","0.0006","18.4546","0.0004","90","","90","","90","","14039","0.5","100","","100","","","","","","","","","6","I 41/a","-I 4ad","88","","","","- C100 H144 Cu5 Mn10 N12 O60 -","- C100 H144 Cu5 Mn10 N12 O60 -","- C400 H576 Cu20 Mn40 N48 O240 -","4","","","Frost, Jamie M.; Kettles, Fraser J.; Wilson, Claire; Murrie, Mark","Rational serendipity: ""undirected"" synthesis of a large {MnCu} complex from pre-formed Mn(II) building blocks.","Dalton transactions (Cambridge, England : 2003)","2016","45","45","18094","18097","10.1039/c6dt03914f","","","0.71073","MoKα","","0.0556","0.0428","","","0.1177","0.1279","","","","","","1.02","","","","has coordinates,has disorder","190160","2020-10-21","18:00:00",""
"7041067","12.5047","0.0008","26.2009","0.0018","41.444","0.003","90","","90","","90","","13578.5","1.6","100","2","100","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C71 H83 B Ce K N12 O7 -","- C71 H83 B Ce K N12 O7 -","- C568 H664 B8 Ce8 K8 N96 O56 -","8","1","","Armstrong, Keith C.; Hohloch, Stephan; Lohrey, Trevor D.; Zarkesh, Ryan A.; Arnold, John; Anstey, Mitchell R.","Control of clustering behavior in anionic cerium(iii) corrole complexes: from oligomers to monomers.","Dalton transactions (Cambridge, England : 2003)","2016","45","46","18653","18660","10.1039/c6dt03884k","","","0.71073","MoKα","","0.1222","0.0628","","","0.1437","0.1738","","","","","","1.004","","","","has coordinates","190112","2020-10-21","18:00:00",""
"7041068","11.1309","0.0005","13.3627","0.0006","19.9803","0.0008","107.04","0.002","103.868","0.002","97.317","0.002","2695.3","0.2","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C106 H94 B2 Ce2 K2 N20 O2 -","- C106 H94 B2 Ce2 K2 N20 O2 -","- C106 H94 B2 Ce2 K2 N20 O2 -","1","0.5","","Armstrong, Keith C.; Hohloch, Stephan; Lohrey, Trevor D.; Zarkesh, Ryan A.; Arnold, John; Anstey, Mitchell R.","Control of clustering behavior in anionic cerium(iii) corrole complexes: from oligomers to monomers.","Dalton transactions (Cambridge, England : 2003)","2016","45","46","18653","18660","10.1039/c6dt03884k","","","0.71073","MoKα","","0.0631","0.0479","","","0.1054","0.1106","","","","","","0.995","","","","has coordinates","190112","2020-10-21","18:00:00",""
"7041069","28.2049","0.0003","28.2049","0.0003","26.1852","0.0005","90","","90","","90","","20830.8","0.5","100","2","100","2","","","","","","","","6","I 41/a","-I 4ad","88","","","","- C60 H58 Ce N4 Na O2 -","- C60 H58 Ce N4 Na O2 -","- C960 H928 Ce16 N64 Na16 O32 -","16","","","Armstrong, Keith C.; Hohloch, Stephan; Lohrey, Trevor D.; Zarkesh, Ryan A.; Arnold, John; Anstey, Mitchell R.","Control of clustering behavior in anionic cerium(iii) corrole complexes: from oligomers to monomers.","Dalton transactions (Cambridge, England : 2003)","2016","45","46","18653","18660","10.1039/c6dt03884k","","","0.71073","MoKα","","0.0748","0.0453","","","0.1245","0.1462","","","","","","1.078","","","","has coordinates","190112","2020-10-21","18:00:00",""
"7041070","12.9649","0.0003","13.6515","0.0003","21.1015","0.0003","85.729","0.001","73.465","0.002","77.853","0.002","3499.73","0.13","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C81 H91 Lu N6 Na O7 -","- C81 H91 Lu N6 Na O7 -","- C162 H182 Lu2 N12 Na2 O14 -","2","1","","Armstrong, Keith C.; Hohloch, Stephan; Lohrey, Trevor D.; Zarkesh, Ryan A.; Arnold, John; Anstey, Mitchell R.","Control of clustering behavior in anionic cerium(iii) corrole complexes: from oligomers to monomers.","Dalton transactions (Cambridge, England : 2003)","2016","45","46","18653","18660","10.1039/c6dt03884k","","","0.71073","MoKα","","0.0423","0.0332","","","0.0736","0.0783","","","","","","1.075","","","","has coordinates","190112","2020-10-21","18:00:00",""
"7041071","14.4281","0.0008","14.5","0.0009","20.5588","0.0011","86.245","0.004","69.911","0.003","66.398","0.004","3688.5","0.4","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C71 H88 Ce N6 Na O9 -","- C71 H88 Ce N6 Na O9 -","- C142 H176 Ce2 N12 Na2 O18 -","2","1","","Armstrong, Keith C.; Hohloch, Stephan; Lohrey, Trevor D.; Zarkesh, Ryan A.; Arnold, John; Anstey, Mitchell R.","Control of clustering behavior in anionic cerium(iii) corrole complexes: from oligomers to monomers.","Dalton transactions (Cambridge, England : 2003)","2016","45","46","18653","18660","10.1039/c6dt03884k","","","0.7749","synchrotron","","0.1202","0.089","","","0.2026","0.2183","","","","","","1.035","","","","has coordinates","211332","2020-10-21","18:00:00",""
"7041072","29.162","0.004","21.924","0.002","14.955","0.002","90","","103.38","0.007","90","","9302","2","296.15","","296.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C48 H24 Dy2 N12 O15 -","- C48 H24 Dy2 N12 O15 -","- C192 H96 Dy8 N48 O60 -","4","1","","Xia, Tifeng; Song, Tao; Cui, Yuanjing; Yang, Yu; Qian, Guodong","A dye encapsulated terbium-based metal-organic framework for ratiometric temperature sensing.","Dalton transactions (Cambridge, England : 2003)","2016","45","46","18689","18695","10.1039/c6dt03674k","","","0.71073","MoKα","","0.1335","0.1216","","","0.3292","0.3669","","","","","","0.986","","","","has coordinates","190104","2020-10-21","18:00:00",""
"7041073","21.038","0.003","12.5112","0.0017","53.184","0.007","90","","94.509","0.004","90","","13955","3","296","2","296.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C80 H55 In2 N9 O19.5 -","- C79.9998 H54.9992 In2 N8.9999 O19.5 -","- C319.999 H219.997 In8 N35.9996 O78 -","4","1","","Xu, Lei; Zhai, Meng-Ke; Lu, Xin-Chao; Du, Hong-Bin","A robust indium-porphyrin framework for CO2 capture and chemical transformation.","Dalton transactions (Cambridge, England : 2003)","2016","45","46","18730","18736","10.1039/c6dt03651a","","","0.71073","MoKα","","0.1696","0.1458","","","0.3521","0.3665","","","","","","1.134","","","","has coordinates,has disorder","190110","2020-10-21","18:00:00",""
"7041074","12.378","0.006","12.619","0.005","14.252","0.007","79.298","0.007","68.524","0.01","89.953","0.007","2030","1.6","110","","110","","","","","","","","","7","P -1","-P 1","2","","","","- C46 H48 F3 Fe3 O3 P S -","- C46 H48 F3 Fe3 O3 P S -","- C92 H96 F6 Fe6 O6 P2 S2 -","2","1","","Rabiee Kenaree, Amir; Gilroy, Joe B.","Synthesis and characterization of metal-rich phosphonium polyelectrolytes and their use as precursors to nanomaterials.","Dalton transactions (Cambridge, England : 2003)","2016","45","45","18229","18240","10.1039/c6dt02541b","","","0.71073","MoKα","","0.0917","0.0534","","","0.1278","0.1463","","","","","","1.042","","","","has coordinates,has disorder","190156","2020-10-21","18:00:00",""
"7041075","16.2659","0.0005","19.9135","0.0007","15.1777","0.0006","90","","98.192","0.003","90","","4866.1","0.3","100","2","100","2","","","","","","","","9","P 1 21/c 1","-P 2ybc","14","Cationic Pd-bimane complex","[Pd(PPh3)2(syn-(Me,Me)bimane](BF4)2","","- C47 H43 B2 Cl3 F8 N2 O3 P2 Pd -","- C47 H43 B2 Cl3 F8 N2 O3 P2 Pd -","- C188 H172 B8 Cl12 F32 N8 O12 P8 Pd4 -","4","1","","Das, Partha Jyoti; Diskin-Posner, Yael; Firer, Michael; Montag, Michael; Grynszpan, Flavio","syn-Bimane as a chelating O-donor ligand for palladium(ii).","Dalton transactions (Cambridge, England : 2003)","2016","45","43","17123","17131","10.1039/c6dt02141g","","","0.71073","MoKα","","0.0669","0.0397","","","0.0744","0.0762","","","","","","0.773","","","","has coordinates,has disorder","187755","2020-10-21","18:00:00",""
"7041076","5.301","0.0011","12.47","0.003","12.61","0.003","76.8","0.03","79.55","0.03","81.3","0.03","792.8","0.3","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C24 H22 Cl4 Co N4 O12 Pd2 -","- C24 H22 Cl4 Co N4 O12 Pd2 -","- C24 H22 Cl4 Co N4 O12 Pd2 -","1","0.5","","You, Li-Xin; Liu, Hui-Jie; Cui, Lan-Xin; Ding, Fu; Xiong, Gang; Wang, Shu-Ju; Ren, Bao-Yi; Dragutan, Ileana; Dragutan, Valerian; Sun, Ya-Guang","The synergistic effect of cobalt on a Pd/Co catalyzed Suzuki-Miyaura cross-coupling in water.","Dalton transactions (Cambridge, England : 2003)","2016","45","46","18455","18458","10.1039/c6dt03628g","","","0.71073","MoKα","","0.1144","0.0763","","","0.1878","0.2243","","","","","","1.065","","","","has coordinates","190100","2020-10-21","18:00:00",""
"7041077","8.1737","0.0005","15.0092","0.001","37.574","0.002","90","","101.828","0.002","90","","4511.7","0.5","293","2","293","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C36 H43 Eu N7 O16 -","- C36 H43 Eu N7 O16 -","- C144 H172 Eu4 N28 O64 -","4","1","","Wang, Dongbo; Tan, Qinghua; Liu, Jingjuan; Liu, Zhiliang","A stable europium metal-organic framework as a dual-functional luminescent sensor for quantitatively detecting temperature and humidity.","Dalton transactions (Cambridge, England : 2003)","2016","45","46","18450","18454","10.1039/c6dt03812c","","","0.71073","MoKα","","0.1218","0.064","","","0.1437","0.1671","","","","","","1.033","","","","has coordinates","190102","2020-10-21","18:00:00",""
"7041078","19.4641","0.0002","19.4641","0.0002","8.58573","0.00012","90","","90","","90","","3252.71","0.07","100","","100","","","","","","","","","4","P 42/n","-P 4bc","86","","tris(cyclopentadienyl)titanium(tert-butoxide)","","- C19 H24 O Ti -","- C19 H24 O Ti -","- C152 H192 O8 Ti8 -","8","","","Boyde, Nicholas C.; Rightmire, Nicholas R.; Bierschenk, Eric J.; Steelman, Grant W.; Hanusa, Timothy P.; Brennessel, William W.","Reaction environment and ligand lability in group 4 Cp2MXY (X, Y = Cl, OtBu) complexes.","Dalton transactions (Cambridge, England : 2003)","2016","45","46","18635","18642","10.1039/c6dt03199d","","x-ray","1.54184","CuKα","","0.0328","0.027","","","0.0651","0.0676","","","","","","1.029","","","","has coordinates","190120","2020-10-21","18:00:00",""
"7041079","8.5606","0.0008","8.5606","0.0008","12.9538","0.0012","90","","90","","90","","949.3","0.15","173","2","173","2","","","","","","","","4","P -4 21 m","P -4 2ab","113","haneb03","bis(cyclopentadienyl)zirconium(bis(tert-butoxide))","","- C18 H28 O2 Zr -","- C18 H28 O2 Zr -","- C36 H56 O4 Zr2 -","2","0.25","","Boyde, Nicholas C.; Rightmire, Nicholas R.; Bierschenk, Eric J.; Steelman, Grant W.; Hanusa, Timothy P.; Brennessel, William W.","Reaction environment and ligand lability in group 4 Cp2MXY (X, Y = Cl, OtBu) complexes.","Dalton transactions (Cambridge, England : 2003)","2016","45","46","18635","18642","10.1039/c6dt03199d","","","0.71073","MoKα","","0.0449","0.033","","","0.0758","0.0808","","","","","","1.031","","","","has coordinates,has disorder","190120","2020-10-21","18:00:00",""
"7041080","8.4676","0.0007","8.4676","0.0007","12.8196","0.0011","90","","90","","90","","919.17","0.13","100","0.5","100","0.5","","","","","","","","4","P -4 21 m","P -4 2ab","113","haneb04","bis(cyclopentadienyl)hafnium(bis(tert-butoxide))","","- C18 H28 Hf O2 -","- C18 H28 Hf O2 -","- C36 H56 Hf2 O4 -","2","0.25","","Boyde, Nicholas C.; Rightmire, Nicholas R.; Bierschenk, Eric J.; Steelman, Grant W.; Hanusa, Timothy P.; Brennessel, William W.","Reaction environment and ligand lability in group 4 Cp2MXY (X, Y = Cl, OtBu) complexes.","Dalton transactions (Cambridge, England : 2003)","2016","45","46","18635","18642","10.1039/c6dt03199d","","","0.71073","MoKα","","0.044","0.0391","","","0.0908","0.0927","","","","","","1.17","","","","has coordinates,has disorder","190120","2020-10-21","18:00:00",""
"7041081","15.264","0.0003","12.0177","0.0003","15.8499","0.0005","90","","90","","90","","2907.48","0.13","100","","100","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","bis(cyclopentadienyl)hafnium(cloro)(tert-butoxide)","","- C14 H19 Cl Hf O -","- C14 H19 Cl Hf O -","- C112 H152 Cl8 Hf8 O8 -","8","1","","Boyde, Nicholas C.; Rightmire, Nicholas R.; Bierschenk, Eric J.; Steelman, Grant W.; Hanusa, Timothy P.; Brennessel, William W.","Reaction environment and ligand lability in group 4 Cp2MXY (X, Y = Cl, OtBu) complexes.","Dalton transactions (Cambridge, England : 2003)","2016","45","46","18635","18642","10.1039/c6dt03199d","","x-ray","0.71073","MoKα","","0.032","0.0243","","","0.0478","0.0509","","","","","","1.042","","","","has coordinates","190120","2020-10-21","18:00:00",""
"7041082","9.2108","0.0007","10.1314","0.0008","18.1559","0.0012","105.174","0.003","98.35","0.003","92.197","0.003","1612.7","0.2","150","2","150","2","","","","","","","","8","P -1","-P 1","2","","","","- C28 H38 B F4 N6 O5 P Ru -","- C28 H38 B F4 N6 O5 P Ru -","- C56 H76 B2 F8 N12 O10 P2 Ru2 -","2","1","","Mandal, Poulami; Malviya, Novina; Guedes da Silva, M Fátima C; Dhankhar, Sandeep Singh; Nagaraja, C. M.; Mobin, Shaikh M.; Mukhopadhyay, Suman","Fine tuning through valence bond tautomerization of ancillary ligands in ruthenium(ii) arene complexes for better anticancer activity and enzyme inhibition properties.","Dalton transactions (Cambridge, England : 2003)","2016","45","48","19277","19289","10.1039/c6dt02969h","","","0.71073","MoKα","","0.0374","0.035","","","0.0855","0.0869","","","","","","1.049","","","","has coordinates","190130","2020-10-21","18:00:00",""
"7041083","39.549","0.002","12.8897","0.0004","12.5616","0.0003","90","","90.442","0.003","90","","6403.4","0.4","150","2","150","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C27 H34 B F4 N6 O P Ru -","- C27 H34 B F4 N6 O P Ru -","- C216 H272 B8 F32 N48 O8 P8 Ru8 -","8","1","","Mandal, Poulami; Malviya, Novina; Guedes da Silva, M Fátima C; Dhankhar, Sandeep Singh; Nagaraja, C. M.; Mobin, Shaikh M.; Mukhopadhyay, Suman","Fine tuning through valence bond tautomerization of ancillary ligands in ruthenium(ii) arene complexes for better anticancer activity and enzyme inhibition properties.","Dalton transactions (Cambridge, England : 2003)","2016","45","48","19277","19289","10.1039/c6dt02969h","","","0.71073","MoKα","","0.0522","0.0458","","","0.1222","0.1263","","","","","","1.133","","","","has coordinates","190130","2020-10-21","18:00:00",""
"7041084","10.219","0.005","10.41","0.005","15.762","0.005","76.497","0.005","79.789","0.005","63.638","0.005","1455.6","1.1","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C25 H30 F6 N6 O4 P2 Ru -","- C25 H30 F6 N6 O4 P2 Ru -","- C50 H60 F12 N12 O8 P4 Ru2 -","2","1","","Mandal, Poulami; Malviya, Novina; Guedes da Silva, M Fátima C; Dhankhar, Sandeep Singh; Nagaraja, C. M.; Mobin, Shaikh M.; Mukhopadhyay, Suman","Fine tuning through valence bond tautomerization of ancillary ligands in ruthenium(ii) arene complexes for better anticancer activity and enzyme inhibition properties.","Dalton transactions (Cambridge, England : 2003)","2016","45","48","19277","19289","10.1039/c6dt02969h","","","0.71073","MoKα","","0.0455","0.0419","","","0.1147","0.1184","","","","","","1.044","","","","has coordinates","190130","2020-10-21","18:00:00",""
"7041085","8.9084","0.0002","35.5854","0.0008","11.1155","0.0003","90","","96.018","0.002","90","","3504.29","0.15","293","2","293","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C28 H39 F12 N6 O2 P3 Ru -","- C28 H39 F12 N6 O2 P3 Ru -","- C112 H156 F48 N24 O8 P12 Ru4 -","4","1","","Mandal, Poulami; Malviya, Novina; Guedes da Silva, M Fátima C; Dhankhar, Sandeep Singh; Nagaraja, C. M.; Mobin, Shaikh M.; Mukhopadhyay, Suman","Fine tuning through valence bond tautomerization of ancillary ligands in ruthenium(ii) arene complexes for better anticancer activity and enzyme inhibition properties.","Dalton transactions (Cambridge, England : 2003)","2016","45","48","19277","19289","10.1039/c6dt02969h","","","0.71073","MoKα","","0.0918","0.0607","","","0.1717","0.2021","","","","","","1.119","","","","has coordinates","190130","2020-10-21","18:00:00",""
"7041086","8.1826","0.0004","9.6289","0.0005","12.5403","0.0008","104.629","0.005","101.706","0.005","91.505","0.004","932.99","0.09","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C11 H14 Ag2 I3 N S2 -","- C11 H14 Ag2 I3 N S2 -","- C22 H28 Ag4 I6 N2 S4 -","2","1","","Liu, Guang-Ning; Li, Ke; Fan, Qing-Shun; Sun, Hui; Li, Xin-Yu; Han, Xiao-Nan; Li, Yu; Zhang, Zhen-Wei; Li, Cuncheng","A simultaneous disulfide bond cleavage, N,S-bialkylation/N-protonation and self-assembly reaction: syntheses, structures and properties of two hybrid iodoargentates with thiazolyl-based heterocycles.","Dalton transactions (Cambridge, England : 2003)","2016","45","47","19062","19071","10.1039/c6dt03776c","","","0.71073","MoKα","","0.0418","0.031","","","0.0633","0.0702","","","","","","1.051","","","","has coordinates","211418","2020-10-21","18:00:00",""
"7041087","41.998","0.002","4.4377","0.0003","21.988","0.001","90","","98.553","0.004","90","","4052.4","0.4","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C7 H5 Ag I N S2 -","- C7 H5 Ag I N S2 -","- C112 H80 Ag16 I16 N16 S32 -","16","2","","Liu, Guang-Ning; Li, Ke; Fan, Qing-Shun; Sun, Hui; Li, Xin-Yu; Han, Xiao-Nan; Li, Yu; Zhang, Zhen-Wei; Li, Cuncheng","A simultaneous disulfide bond cleavage, N,S-bialkylation/N-protonation and self-assembly reaction: syntheses, structures and properties of two hybrid iodoargentates with thiazolyl-based heterocycles.","Dalton transactions (Cambridge, England : 2003)","2016","45","47","19062","19071","10.1039/c6dt03776c","","","0.71073","MoKα","","0.0668","0.0427","","","0.0841","0.0948","","","","","","1.035","","","","has coordinates","211418","2020-10-21","18:00:00",""
"7041088","8.7097","0.0009","14.2144","0.0015","15.7201","0.0016","88.608","0.004","88.273","0.004","86.682","0.004","1941.6","0.3","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C52 H64 Co7 N34 O34 -","- C52 H48 Co7 N34 O34 -","- C52 H48 Co7 N34 O34 -","1","0.5","","Gong, Teng; Lou, Xiaobing; Fang, Jia-Jia; Gao, En-Qing; Hu, Bingwen","A novel coordination polymer based on Co(ii) hexanuclear clusters with azide and carboxylate bridges: structure, magnetism and its application as a Li-ion battery anode.","Dalton transactions (Cambridge, England : 2003)","2016","45","47","19109","19116","10.1039/c6dt03637f","","","0.71073","MoKα","","0.1117","0.0646","","","0.1549","0.1832","","","","","","1.004","","","","has coordinates,has disorder","190207","2020-10-21","18:00:00",""
"7041089","9.977","0.0002","12.993","0.0002","16.539","0.0003","83.542","0.001","78.229","0.001","67.925","0.001","1943.5","0.06","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H28 Fe N2 P2 -","- C18 H28 Fe N2 P2 -","- C72 H112 Fe4 N8 P8 -","4","2","","Maeno, Yuki; Ishizu, Yuko; Kubo, Kazuyuki; Kume, Shoko; Mizuta, Tsutomu","Synthesis and coordination chemistry of (PNEt2)2-bridged [2]ferrocenophanes.","Dalton transactions (Cambridge, England : 2003)","2016","45","47","19034","19044","10.1039/c6dt03729a","","","0.71069","MoKα","","0.0592","0.0563","","","0.1541","0.1569","","","","","","1.048","","","","has coordinates,has disorder","190210","2020-10-21","18:00:00",""
"7041090","10.762","0.003","10.976","0.004","22.401","0.006","90.47","0.03","92.3","0.02","91.95","0.02","2642.3","1.4","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C23 H28 Cr Fe N2 O5 P2 -","- C23 H28 Cr Fe N2 O5 P2 -","- C92 H112 Cr4 Fe4 N8 O20 P8 -","4","2","","Maeno, Yuki; Ishizu, Yuko; Kubo, Kazuyuki; Kume, Shoko; Mizuta, Tsutomu","Synthesis and coordination chemistry of (PNEt2)2-bridged [2]ferrocenophanes.","Dalton transactions (Cambridge, England : 2003)","2016","45","47","19034","19044","10.1039/c6dt03729a","","","0.71069","MoKα","","0.0928","0.0546","","","0.1553","0.1703","","","","","","0.962","","","","has coordinates","190210","2020-10-21","18:00:00",""
"7041091","17.74","0.0002","8.842","0.0002","18.501","0.0003","90","","118.113","0.001","90","","2559.63","0.08","200","2","200","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C22 H28 Cr Fe N2 O4 P2 -","- C22 H28 Cr Fe N2 O4 P2 -","- C88 H112 Cr4 Fe4 N8 O16 P8 -","4","1","","Maeno, Yuki; Ishizu, Yuko; Kubo, Kazuyuki; Kume, Shoko; Mizuta, Tsutomu","Synthesis and coordination chemistry of (PNEt2)2-bridged [2]ferrocenophanes.","Dalton transactions (Cambridge, England : 2003)","2016","45","47","19034","19044","10.1039/c6dt03729a","","","0.71069","MoKα","","0.0323","0.0306","","","0.0806","0.0819","","","","","","1.06","","","","has coordinates","190210","2020-10-21","18:00:00",""
"7041092","9.9538","0.0007","10.0223","0.0007","13.4542","0.001","111.201","0.001","91.145","0.001","107.133","0.001","1183.7","0.15","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C22 H28 Fe2 N2 O4 P2 -","- C22 H28 Fe2 N2 O4 P2 -","- C44 H56 Fe4 N4 O8 P4 -","2","1","","Maeno, Yuki; Ishizu, Yuko; Kubo, Kazuyuki; Kume, Shoko; Mizuta, Tsutomu","Synthesis and coordination chemistry of (PNEt2)2-bridged [2]ferrocenophanes.","Dalton transactions (Cambridge, England : 2003)","2016","45","47","19034","19044","10.1039/c6dt03729a","","","0.71073","MoKa","","0.0263","0.025","","","0.0817","0.0824","","","","","","1.763","","","","has coordinates","190210","2020-10-21","18:00:00",""
"7041093","19.399","0.002","10.4784","0.0012","15.5681","0.0018","90","","121.012","0.001","90","","2712.2","0.5","173","2","173","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C24 H28 Fe3 N2 O6 P2 -","- C24 H28 Fe3 N2 O6 P2 -","- C96 H112 Fe12 N8 O24 P8 -","4","0.5","","Maeno, Yuki; Ishizu, Yuko; Kubo, Kazuyuki; Kume, Shoko; Mizuta, Tsutomu","Synthesis and coordination chemistry of (PNEt2)2-bridged [2]ferrocenophanes.","Dalton transactions (Cambridge, England : 2003)","2016","45","47","19034","19044","10.1039/c6dt03729a","","","0.71073","MoKa","","0.0218","0.0196","","","0.0512","0.0523","","","","","","1.079","","","","has coordinates","190210","2020-10-21","18:00:00",""
"7041094","8.1049","0.0004","12.9696","0.0006","14.2695","0.0007","68.12","0.004","81.619","0.004","87.321","0.004","1377.01","0.12","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C62 H48 Co2 N4 O4 -","- C62 H48 Co2 N4 O4 -","- C62 H48 Co2 N4 O4 -","1","0.5","","Saini, Anoop Kumar; Kumari, Pratibha; Sharma, Vinay; Mathur, Pradeep; Mobin, Shaikh M.","Varying structural motifs in the salen based metal complexes of Co(ii), Ni(ii) and Cu(ii): synthesis, crystal structures, molecular dynamics and biological activities.","Dalton transactions (Cambridge, England : 2003)","2016","45","47","19096","19108","10.1039/c6dt03573f","","","0.71073","MoKα","","0.0899","0.0676","","","0.1865","0.2118","","","","","","1.005","","","","has coordinates","190212","2020-10-21","18:00:00",""
"7041095","15.6899","0.0002","15.6899","0.0002","23.2435","0.0006","90","","90","","90","","5721.92","0.18","293","2","293","2","","","","","","","","5","I 4","I 4","79","","","","- C124 H96 Cu4 N8 O8 -","- C124 H96 Cu4 N8 O8 -","- C248 H192 Cu8 N16 O16 -","2","0.25","","Saini, Anoop Kumar; Kumari, Pratibha; Sharma, Vinay; Mathur, Pradeep; Mobin, Shaikh M.","Varying structural motifs in the salen based metal complexes of Co(ii), Ni(ii) and Cu(ii): synthesis, crystal structures, molecular dynamics and biological activities.","Dalton transactions (Cambridge, England : 2003)","2016","45","47","19096","19108","10.1039/c6dt03573f","","","0.71073","MoKα","","0.0616","0.0435","","","0.1255","0.1355","","","","","","0.999","","","","has coordinates","190212","2020-10-21","18:00:00",""
"7041096","21.1918","0.0013","14.8209","0.0008","15.5995","0.001","90","","99.775","0.005","90","","4828.4","0.5","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C62 H47 Cu2 N4 O4 -","- C62 H47 Cu2 N4 O4 -","- C248 H188 Cu8 N16 O16 -","4","1","","Saini, Anoop Kumar; Kumari, Pratibha; Sharma, Vinay; Mathur, Pradeep; Mobin, Shaikh M.","Varying structural motifs in the salen based metal complexes of Co(ii), Ni(ii) and Cu(ii): synthesis, crystal structures, molecular dynamics and biological activities.","Dalton transactions (Cambridge, England : 2003)","2016","45","47","19096","19108","10.1039/c6dt03573f","","","1.54184","CuKα","","0.1459","0.0792","","","0.1792","0.2304","","","","","","1.104","","","","has coordinates","208944","2020-10-21","18:00:00",""
"7041097","12.7707","0.001","9.6844","0.0008","29.68","0.002","90","","98.954","0.007","90","","3626","0.5","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C37 H42 Cl3 N3 Ni O2 -","- C37 H42 Cl3 N3 Ni O2 -","- C148 H168 Cl12 N12 Ni4 O8 -","4","1","","Saini, Anoop Kumar; Kumari, Pratibha; Sharma, Vinay; Mathur, Pradeep; Mobin, Shaikh M.","Varying structural motifs in the salen based metal complexes of Co(ii), Ni(ii) and Cu(ii): synthesis, crystal structures, molecular dynamics and biological activities.","Dalton transactions (Cambridge, England : 2003)","2016","45","47","19096","19108","10.1039/c6dt03573f","","","0.71073","MoKα","","0.1268","0.0916","","","0.2318","0.2512","","","","","","1.106","","","","has coordinates","190212","2020-10-21","18:00:00",""
"7041098","6.1081","0.0005","7.5366","0.0006","8.8543","0.0007","80.728","0.007","87.505","0.007","88.355","0.006","401.8","0.06","100","2","100","2","","","","","","","","4","P -1","-P 1","2","4,4,4-trinitrobutanamide","4,4,4-trinitrobutanamide","","- C4 H6 N4 O7 -","- C4 H6 N4 O7 -","- C8 H12 N8 O14 -","2","1","","Axthammer, Quirin J.; Klapötke, Thomas M; Krumm, Burkhard; Scharf, Regina; Unger, Cornelia C.","Convenient synthesis of energetic polynitro materials including (NO2)3CCH2CH2NH3-salts via Michael addition of trinitromethane.","Dalton transactions (Cambridge, England : 2003)","2016","45","47","18909","18920","10.1039/c6dt03779h","","","0.71069","MoKα","","0.038","0.0308","","","0.0735","0.0794","","","","","","1.06","","","","has coordinates","190216","2020-10-21","18:00:00",""
"7041099","6.1307","0.0003","16.7082","0.0008","8.5025","0.0004","90","","98.296","0.004","90","","861.82","0.07","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","4,4,4-trinitrobutanoic acid","4,4,4-trinitrobutanoic acid","","- C4 H5 N3 O8 -","- C4 H5 N3 O8 -","- C16 H20 N12 O32 -","4","1","","Axthammer, Quirin J.; Klapötke, Thomas M; Krumm, Burkhard; Scharf, Regina; Unger, Cornelia C.","Convenient synthesis of energetic polynitro materials including (NO2)3CCH2CH2NH3-salts via Michael addition of trinitromethane.","Dalton transactions (Cambridge, England : 2003)","2016","45","47","18909","18920","10.1039/c6dt03779h","","","0.71073","MoKα","","0.0384","0.0306","","","0.0708","0.0764","","","","","","1.04","","","","has coordinates","190216","2020-10-21","18:00:00",""
"7041100","7.416","0.0005","7.5385","0.0006","9.0347","0.0008","70.713","0.008","80.1","0.007","81.601","0.007","467.47","0.07","100","2","100","2","","","","","","","","4","P -1","-P 1","2","4,4,4-trinitrobutanoyl azide","4,4,4-trinitrobutanoyl azide","","- C4 H4 N6 O7 -","- C4 H4 N6 O7 -","- C8 H8 N12 O14 -","2","1","","Axthammer, Quirin J.; Klapötke, Thomas M; Krumm, Burkhard; Scharf, Regina; Unger, Cornelia C.","Convenient synthesis of energetic polynitro materials including (NO2)3CCH2CH2NH3-salts via Michael addition of trinitromethane.","Dalton transactions (Cambridge, England : 2003)","2016","45","47","18909","18920","10.1039/c6dt03779h","","","0.71073","MoKα","","0.0384","0.0309","","","0.0726","0.0782","","","","","","1.04","","","","has coordinates","190216","2020-10-21","18:00:00",""
"7041101","6.7434","0.0006","7.8045","0.0008","10.0663","0.001","90.393","0.008","98.8","0.008","114.135","0.009","476.36","0.09","100","2","100","2","","","","","","","","5","P -1","-P 1","2","3,3,3-Trinitropropan-1-aminium chloride","3,3,3-Trinitropropan-1-aminium chloride","","- C3 H9 Cl N4 O7 -","- C3 H9 Cl N4 O7 -","- C6 H18 Cl2 N8 O14 -","2","1","","Axthammer, Quirin J.; Klapötke, Thomas M; Krumm, Burkhard; Scharf, Regina; Unger, Cornelia C.","Convenient synthesis of energetic polynitro materials including (NO2)3CCH2CH2NH3-salts via Michael addition of trinitromethane.","Dalton transactions (Cambridge, England : 2003)","2016","45","47","18909","18920","10.1039/c6dt03779h","","","0.71073","MoKα","","0.0355","0.0287","","","0.0641","0.068","","","","","","1.083","","","","has coordinates","190216","2020-10-21","18:00:00",""
"7041102","5.6622","0.0004","10.2826","0.0007","16.2582","0.0018","90","","90","","90","","946.59","0.14","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","3,3,3-Trinitropropan-1-aminium nitrate","3,3,3-Trinitropropan-1-aminium nitrate","","- C3 H7 N5 O9 -","- C3 H7 N5 O9 -","- C12 H28 N20 O36 -","4","1","","Axthammer, Quirin J.; Klapötke, Thomas M; Krumm, Burkhard; Scharf, Regina; Unger, Cornelia C.","Convenient synthesis of energetic polynitro materials including (NO2)3CCH2CH2NH3-salts via Michael addition of trinitromethane.","Dalton transactions (Cambridge, England : 2003)","2016","45","47","18909","18920","10.1039/c6dt03779h","","","0.71073","MoKα","","0.0584","0.0424","","","0.0793","0.0883","","","","","","1.058","","","","has coordinates","190216","2020-10-21","18:00:00",""
"7041103","6.7087","0.0005","11.2547","0.0007","15.2144","0.0009","75.527","0.005","79.28","0.005","75.733","0.006","1068.48","0.13","123","2","123","2","","","","","","","","4","P -1","-P 1","2","3,3,3-Trinitropropan-1-aminium dinitramide","3,3,3-Trinitropropan-1-aminium dinitramide","","- C3 H7 N7 O10 -","- C3 H7 N7 O10 -","- C12 H28 N28 O40 -","4","2","","Axthammer, Quirin J.; Klapötke, Thomas M; Krumm, Burkhard; Scharf, Regina; Unger, Cornelia C.","Convenient synthesis of energetic polynitro materials including (NO2)3CCH2CH2NH3-salts via Michael addition of trinitromethane.","Dalton transactions (Cambridge, England : 2003)","2016","45","47","18909","18920","10.1039/c6dt03779h","","","0.71073","MoKα","","0.0436","0.0336","","","0.102","0.1144","","","","","","0.826","","","","has coordinates","190216","2020-10-21","18:00:00",""
"7041104","5.7264","0.0003","21.653","0.0011","11.091","0.0006","90","","93.555","0.004","90","","1372.57","0.12","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","2,2,2-trinitroethyl-4,4,4-trinitrobutanoate","2,2,2-trinitroethyl-4,4,4-trinitrobutanoate","","- C6 H6 N6 O14 -","- C6 H6 N6 O14 -","- C24 H24 N24 O56 -","4","1","","Axthammer, Quirin J.; Klapötke, Thomas M; Krumm, Burkhard; Scharf, Regina; Unger, Cornelia C.","Convenient synthesis of energetic polynitro materials including (NO2)3CCH2CH2NH3-salts via Michael addition of trinitromethane.","Dalton transactions (Cambridge, England : 2003)","2016","45","47","18909","18920","10.1039/c6dt03779h","","","0.71073","MoKα","","0.039","0.0301","","","0.0652","0.07","","","","","","1.025","","","","has coordinates","190216","2020-10-21","18:00:00",""
"7041105","12.0307","0.0004","15.1139","0.0005","15.5317","0.0005","73.645","0.001","80.79","0.001","77.291","0.001","2628.91","0.15","135","2","135","2","","","","","","","","8","P -1","-P 1","2","","","","- C51 H38 Br I6 N O3 Os P2 -","- C51 H38 Br I6 N O3 Os P2 -","- C102 H76 Br2 I12 N2 O6 Os2 P4 -","2","1","","Bera, Sachinath; Maity, Suvendu; Weyhermüller, Thomas; Ghosh, Prasanta","Arylamino radical complexes of ruthenium and osmium: dual radical counter in a molecule.","Dalton transactions (Cambridge, England : 2003)","2016","45","48","19428","19440","10.1039/c6dt03728c","","","0.71073","MoKα","","0.043","0.0393","","","0.1011","0.104","","","","","","1.038","","","","has coordinates,has disorder","190135","2020-10-21","18:00:00",""
"7041106","15.239","0.003","24.074","0.005","26.86","0.006","90","","90.596","0.004","90","","9853","4","100","2","100","2","","","","","","","toluene","7","P 1 21/c 1","-P 2ybc","14","","","","- C59.75 H48.5 Br N O3 Os P2 -","- C59.75 H48.5 Br N O3 Os P2 -","- C478 H388 Br8 N8 O24 Os8 P16 -","8","2","","Bera, Sachinath; Maity, Suvendu; Weyhermüller, Thomas; Ghosh, Prasanta","Arylamino radical complexes of ruthenium and osmium: dual radical counter in a molecule.","Dalton transactions (Cambridge, England : 2003)","2016","45","48","19428","19440","10.1039/c6dt03728c","","","0.71073","MoKα","","0.0595","0.0333","","","0.0599","0.0673","","","","","","1.029","","","","has coordinates,has disorder","190135","2020-10-21","18:00:00",""
"7041107","9.475","0.002","17.056","0.002","25.674","0.004","90","","98.548","0.013","90","","4103","1.2","100","2","100","2","","","","","","","dichloromethane, hexane","7","P 1 21/c 1","-P 2ybc","14","","","","- C51 H38 Cl N O3 P2 Ru -","- C51 H38 Cl N O3 P2 Ru -","- C204 H152 Cl4 N4 O12 P8 Ru4 -","4","1","","Bera, Sachinath; Maity, Suvendu; Weyhermüller, Thomas; Ghosh, Prasanta","Arylamino radical complexes of ruthenium and osmium: dual radical counter in a molecule.","Dalton transactions (Cambridge, England : 2003)","2016","45","48","19428","19440","10.1039/c6dt03728c","","","0.71073","MoKα","","0.0356","0.0311","","","0.0798","0.0833","","","","","","1.084","","","","has coordinates","190135","2020-10-21","18:00:00",""
"7041108","9.6319","0.0005","17.1986","0.0009","25.4291","0.0013","90","","98.221","0.002","90","","4169.2","0.4","296","2","296","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C50 H38 Cl2 N O2 P2 Ru -","- C50 H38 Cl2 N O2 P2 Ru -","- C200 H152 Cl8 N4 O8 P8 Ru4 -","4","1","","Bera, Sachinath; Maity, Suvendu; Weyhermüller, Thomas; Ghosh, Prasanta","Arylamino radical complexes of ruthenium and osmium: dual radical counter in a molecule.","Dalton transactions (Cambridge, England : 2003)","2016","45","48","19428","19440","10.1039/c6dt03728c","","","0.71073","MoKα","","0.0458","0.031","","","0.0739","0.0832","","","","","","1.01","","","","has coordinates","190135","2020-10-21","18:00:00",""
"7041109","22.3171","0.0017","9.1","0.0007","27.541","0.002","90","","96.6553","0.0015","90","","5555.5","0.7","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C26 H21 F12 N O4 W -","- C26 H21 F12 N O4 W -","- C208 H168 F96 N8 O32 W8 -","8","1","","Gonsales, Stella A.; Ghiviriga, Ion; Abboud, Khalil A.; Veige, Adam S.","Carbon dioxide cleavage across a tungsten-alkylidyne bearing a trianionic pincer-type ligand.","Dalton transactions (Cambridge, England : 2003)","2016","45","40","15783","15785","10.1039/c6dt01049k","","","0.71073","MoKα","","0.0236","0.0205","","","0.0438","0.0446","","","","","","1.162","","","","has coordinates","188000","2020-10-21","18:00:00",""
"7041110","30.2821","0.0016","13.7793","0.0005","34.9863","0.0009","90","","96.055","0.003","90","","14517.2","1","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C144 H207 Dy3 N6 O18 -","- C144 H207.003 Dy3 N6 O18 -","- C576 H828.012 Dy12 N24 O72 -","4","1","","Grindell, Richard; Vieru, Veacheslav; Pugh, Thomas; Chibotaru, Liviu F.; Layfield, Richard A.","Magnetic frustration in a hexaazatrinaphthylene-bridged trimetallic dysprosium single-molecule magnet.","Dalton transactions (Cambridge, England : 2003)","2016","45","42","16556","16560","10.1039/c6dt01763k","","x-ray","0.71073","MoKα","","0.0962","0.0633","","","0.1408","0.1603","","","","","","1.075","","","","has coordinates,has disorder","188001","2020-10-21","18:00:00",""
"7041111","4.751","0.0003","5.9102","0.0004","6.7024","0.0005","98.682","0.001","90.702","0.001","109.077","0.002","175.44","0.02","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","","","- C2 H6 N10 O2 -","- C2 H6 N10 O2 -","- C2 H6 N10 O2 -","1","0.5","","Zhang, Zhi-Bin; Xu, Cai-Xia; Yin, Xin; Zhang, Jian-Guo","Hydrazine 5,5'-bitetrazole-1,1'-diolate: a promising high density energetic salt with good properties.","Dalton transactions (Cambridge, England : 2003)","2016","45","47","19045","19052","10.1039/c6dt03960j","","","0.71073","MoKα","","0.0511","0.0492","","","0.1369","0.1401","","","","","","1.058","","","","has coordinates","190198","2020-10-21","18:00:00",""
"7041112","4.7498","0.0009","5.8928","0.0012","6.7042","0.0013","98.39","0.03","90.89","0.03","109.46","0.03","174.62","0.07","153.15","","153.15","","","","","","","","","4","P -1","-P 1","2","","","","- C2 H6 N10 O2 -","- C2 H6 N10 O2 -","- C2 H6 N10 O2 -","1","0.5","","Zhang, Zhi-Bin; Xu, Cai-Xia; Yin, Xin; Zhang, Jian-Guo","Hydrazine 5,5'-bitetrazole-1,1'-diolate: a promising high density energetic salt with good properties.","Dalton transactions (Cambridge, England : 2003)","2016","45","47","19045","19052","10.1039/c6dt03960j","","","0.71073","MoKα","","0.0344","0.0331","","","0.0835","0.0868","","","","","","1.179","","","","has coordinates","190198","2020-10-21","18:00:00",""
"7041113","43.348","0.006","11.4878","0.0013","22.26","0.003","90","","99.938","0.016","90","","10919","3","100","2","100","2","","","","","","","","9","C 1 2/c 1","-C 2yc","15","","","","- C52 H46 Cl4 F6 N4 O6 P2 Ru S2 -","- C52 H46 Cl4 F6 N4 O6 P2 Ru S2 -","- C416 H368 Cl32 F48 N32 O48 P16 Ru8 S16 -","8","1","","Lenis-Rojas, O A; Fernandes, A. R.; Roma-Rodrigues, C; Baptista, P. V.; Marques, F.; Pérez-Fernández, D; Guerra-Varela, J; Sánchez, L; Vázquez-García, D; Torres, M López; Fernández, A; Fernández, J J","Heteroleptic mononuclear compounds of ruthenium(ii): synthesis, structural analyses, in vitro antitumor activity and in vivo toxicity on zebrafish embryos.","Dalton transactions (Cambridge, England : 2003)","2016","45","47","19127","19140","10.1039/c6dt03591d","","","0.71073","MoKα","","0.1287","0.0601","","","0.1258","0.161","","","","","","1.008","","","","has coordinates,has disorder","190202","2020-10-21","18:00:00",""
"7041114","16.7005","0.0019","17.633","0.002","30.174","0.004","90","","100.816","0.005","90","","8727.8","1.8","100","2","100","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C43 H39 F6 N6 O7 P Ru S2 -","- C43 H39 F6 N6 O7 P Ru S2 -","- C344 H312 F48 N48 O56 P8 Ru8 S16 -","8","1","","Lenis-Rojas, O A; Fernandes, A. R.; Roma-Rodrigues, C; Baptista, P. V.; Marques, F.; Pérez-Fernández, D; Guerra-Varela, J; Sánchez, L; Vázquez-García, D; Torres, M López; Fernández, A; Fernández, J J","Heteroleptic mononuclear compounds of ruthenium(ii): synthesis, structural analyses, in vitro antitumor activity and in vivo toxicity on zebrafish embryos.","Dalton transactions (Cambridge, England : 2003)","2016","45","47","19127","19140","10.1039/c6dt03591d","","","0.71073","MoKα","","0.0316","0.0293","","","0.0774","0.0833","","","","","","1.114","","","","has coordinates","190202","2020-10-21","18:00:00",""
"7041115","21.7802","0.0008","10.9136","0.0004","20.6519","0.0007","90","","105.397","0.002","90","","4732.8","0.3","100","2","100","2","","","","","","","","9","P 1 21/c 1","-P 2ybc","14","","","","- C48 H41 As F6 N4 O6.5 P Ru S2 -","- C48 H41 As F6 N4 O6.5 P Ru S2 -","- C192 H164 As4 F24 N16 O26 P4 Ru4 S8 -","4","1","","Lenis-Rojas, O A; Fernandes, A. R.; Roma-Rodrigues, C; Baptista, P. V.; Marques, F.; Pérez-Fernández, D; Guerra-Varela, J; Sánchez, L; Vázquez-García, D; Torres, M López; Fernández, A; Fernández, J J","Heteroleptic mononuclear compounds of ruthenium(ii): synthesis, structural analyses, in vitro antitumor activity and in vivo toxicity on zebrafish embryos.","Dalton transactions (Cambridge, England : 2003)","2016","45","47","19127","19140","10.1039/c6dt03591d","","","0.71073","MoKα","","0.0354","0.0271","","","0.0568","0.0643","","","","","","1.061","","","","has coordinates,has disorder","190202","2020-10-21","18:00:00",""
"7041116","14.05","0.006","23.03","0.005","16.094","0.004","90","","90.751","0.005","90","","5207","3","100","2","100","2","","","","","","","","9","P 1 21 1","P 2yb","4","","","","- C57 H47 F6 Fe N4 O6.5 P2 Ru S2 -","- C57 H47 F6 Fe N4 O6.5 P2 Ru S2 -","- C228 H188 F24 Fe4 N16 O26 P8 Ru4 S8 -","4","2","","Lenis-Rojas, O A; Fernandes, A. R.; Roma-Rodrigues, C; Baptista, P. V.; Marques, F.; Pérez-Fernández, D; Guerra-Varela, J; Sánchez, L; Vázquez-García, D; Torres, M López; Fernández, A; Fernández, J J","Heteroleptic mononuclear compounds of ruthenium(ii): synthesis, structural analyses, in vitro antitumor activity and in vivo toxicity on zebrafish embryos.","Dalton transactions (Cambridge, England : 2003)","2016","45","47","19127","19140","10.1039/c6dt03591d","","","0.71073","MoKα","","0.0353","0.0297","","","0.0643","0.0672","","","","","","1.021","","","","has coordinates,has disorder","190202","2020-10-21","18:00:00",""
"7041117","21.7383","0.0004","11.5216","0.0002","18.8637","0.0003","90","","90","","90","","4724.6","0.14","293","2","293","2","","","","","","","","7","P b c n","-P 2n 2ab","60","","","","- C19 H24 F6 N3 P Ru S -","- C19 H24 F6 N3 P Ru S -","- C152 H192 F48 N24 P8 Ru8 S8 -","8","1","","Su, Wei; Tang, Zhaofeng; Li, Peiyuan; Wang, Gufeng; Xiao, Qi; Li, Yuchun; Huang, Shan; Gu, Yunqiong; Lai, Zefeng; Zhang, Yuexing","New dinuclear ruthenium arene complexes containing thiosemicarbazone ligands: synthesis, structure and cytotoxic studies.","Dalton transactions (Cambridge, England : 2003)","2016","45","48","19329","19340","10.1039/c6dt03306g","","","0.7107","MoKα","","0.0638","0.0503","","","0.1297","0.1405","","","","","","1.043","","","","has coordinates","190125","2020-10-21","18:00:00",""
"7041118","13.1337","0.0009","20.1079","0.0019","20.8773","0.0013","113.651","0.008","90.091","0.005","99.696","0.007","4963.6","0.7","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C20.5 H28.5 Cl3 N3 O1.25 Ru S -","- C20.5 H27.75 Cl3 N3 O1.25 Ru S -","- C164 H222 Cl24 N24 O10 Ru8 S8 -","8","4","","Su, Wei; Tang, Zhaofeng; Li, Peiyuan; Wang, Gufeng; Xiao, Qi; Li, Yuchun; Huang, Shan; Gu, Yunqiong; Lai, Zefeng; Zhang, Yuexing","New dinuclear ruthenium arene complexes containing thiosemicarbazone ligands: synthesis, structure and cytotoxic studies.","Dalton transactions (Cambridge, England : 2003)","2016","45","48","19329","19340","10.1039/c6dt03306g","","","0.7107","MoKα","","0.2166","0.1715","","","0.4172","0.4411","","","","","","1.116","","","","has coordinates","202518","2020-10-21","18:00:00",""
"7041119","14.719","0.003","19.243","0.004","19.516","0.004","80.798","0.003","79.464","0.003","74.543","0.003","5201.7","1.9","296.15","","296.15","","","","","","","","","8","P -1","-P 1","2","","","","- C40 H53 F12 N6 O2 P2 Ru2 S2 -","- C40 H52.5 F12 N6 O2 P2 Ru2 S2 -","- C160 H210 F48 N24 O8 P8 Ru8 S8 -","4","2","","Su, Wei; Tang, Zhaofeng; Li, Peiyuan; Wang, Gufeng; Xiao, Qi; Li, Yuchun; Huang, Shan; Gu, Yunqiong; Lai, Zefeng; Zhang, Yuexing","New dinuclear ruthenium arene complexes containing thiosemicarbazone ligands: synthesis, structure and cytotoxic studies.","Dalton transactions (Cambridge, England : 2003)","2016","45","48","19329","19340","10.1039/c6dt03306g","","","0.71073","MoKα","","0.132","0.06","","","0.1353","0.1737","","","","","","1.011","","","","has coordinates","202518","2020-10-21","18:00:00",""
"7041120","9.1501","0.0004","10.0815","0.0007","13.6823","0.0011","104.115","0.006","102.2","0.005","94.985","0.005","1183.57","0.14","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C21 H29 Cl2 N3 O Ru S -","- C21 H29 Cl2 N3 O Ru S -","- C42 H58 Cl4 N6 O2 Ru2 S2 -","2","1","","Su, Wei; Tang, Zhaofeng; Li, Peiyuan; Wang, Gufeng; Xiao, Qi; Li, Yuchun; Huang, Shan; Gu, Yunqiong; Lai, Zefeng; Zhang, Yuexing","New dinuclear ruthenium arene complexes containing thiosemicarbazone ligands: synthesis, structure and cytotoxic studies.","Dalton transactions (Cambridge, England : 2003)","2016","45","48","19329","19340","10.1039/c6dt03306g","","x-ray","0.71073","MoKα","","0.0272","0.024","","","0.0593","0.0615","","","","","","1.08","","","","has coordinates","190125","2020-10-21","18:00:00",""
"7041121","22.3084","0.0012","11.9982","0.0006","19.4421","0.0009","90","","90","","90","","5203.9","0.5","246","0.7","246","0.7","","","","","","","","8","P b c n","-P 2n 2ab","60","","","","- C21 H28 F6 N3 O P Ru S -","- C21 H28 F6 N3 O P Ru S -","- C168 H224 F48 N24 O8 P8 Ru8 S8 -","8","1","","Su, Wei; Tang, Zhaofeng; Li, Peiyuan; Wang, Gufeng; Xiao, Qi; Li, Yuchun; Huang, Shan; Gu, Yunqiong; Lai, Zefeng; Zhang, Yuexing","New dinuclear ruthenium arene complexes containing thiosemicarbazone ligands: synthesis, structure and cytotoxic studies.","Dalton transactions (Cambridge, England : 2003)","2016","45","48","19329","19340","10.1039/c6dt03306g","","x-ray","0.71073","MoKα","","0.2341","0.1081","","","0.3108","0.4148","","","","","","1.06","","","","has coordinates","190125","2020-10-21","18:00:00",""
"7041122","12.8583","0.0011","15.1999","0.0011","24.0255","0.0013","90","","95.636","0.006","90","","4673","0.6","293","2","293","2","","","","","","","","9","P 1 21/c 1","-P 2ybc","14","","","","- C38 H52 Cl F6 N6 O4 P Ru2 S2 -","- C38 H52 Cl F6 N6 O4 P Ru2 S2 -","- C152 H208 Cl4 F24 N24 O16 P4 Ru8 S8 -","4","1","","Su, Wei; Tang, Zhaofeng; Li, Peiyuan; Wang, Gufeng; Xiao, Qi; Li, Yuchun; Huang, Shan; Gu, Yunqiong; Lai, Zefeng; Zhang, Yuexing","New dinuclear ruthenium arene complexes containing thiosemicarbazone ligands: synthesis, structure and cytotoxic studies.","Dalton transactions (Cambridge, England : 2003)","2016","45","48","19329","19340","10.1039/c6dt03306g","","","0.7107","MoKα","","0.1812","0.0919","","","0.1517","0.1844","","","","","","1.096","","","","has coordinates","190125","2020-10-21","18:00:00",""
"7041123","21.9987","0.001","11.7643","0.0004","19.0715","0.0007","90","","92.936","0.003","90","","4929.2","0.3","293","2","293","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C20 H26 F6 N3 O P Ru S -","- C20 H26 F6 N3 O P Ru S -","- C160 H208 F48 N24 O8 P8 Ru8 S8 -","8","1","","Su, Wei; Tang, Zhaofeng; Li, Peiyuan; Wang, Gufeng; Xiao, Qi; Li, Yuchun; Huang, Shan; Gu, Yunqiong; Lai, Zefeng; Zhang, Yuexing","New dinuclear ruthenium arene complexes containing thiosemicarbazone ligands: synthesis, structure and cytotoxic studies.","Dalton transactions (Cambridge, England : 2003)","2016","45","48","19329","19340","10.1039/c6dt03306g","","","0.71073","MoKα","","0.1506","0.1363","","","0.3707","0.3814","","","","","","1.085","","","","has coordinates","190125","2020-10-21","18:00:00",""
"7041124","9.153","0.003","10.916","0.003","13.509","0.004","93.863","0.004","92.27","0.004","113.587","0.004","1230.9","0.6","296.13","","296.15","","","","","","","","","7","P -1","-P 1","2","","","","- C21 H29 Cl2 N3 O2 Ru S -","- C21 H29 Cl2 N3 O2 Ru S -","- C42 H58 Cl4 N6 O4 Ru2 S2 -","2","1","","Su, Wei; Tang, Zhaofeng; Li, Peiyuan; Wang, Gufeng; Xiao, Qi; Li, Yuchun; Huang, Shan; Gu, Yunqiong; Lai, Zefeng; Zhang, Yuexing","New dinuclear ruthenium arene complexes containing thiosemicarbazone ligands: synthesis, structure and cytotoxic studies.","Dalton transactions (Cambridge, England : 2003)","2016","45","48","19329","19340","10.1039/c6dt03306g","","","0.71073","MoKα","","0.0275","0.0243","","","","0.0767","","","","","","1.0357","","","","has coordinates","190125","2020-10-21","18:00:00",""
"7041125","21.9788","0.0012","11.957","0.0004","19.9765","0.0011","90","","90","","90","","5249.8","0.4","293","2","293","2","","","","","","","","8","P b c n","-P 2n 2ab","60","","","","- C21 H29 F6 N3 O P Ru S -","- C21 H29 F6 N3 O P Ru S -","- C168 H232 F48 N24 O8 P8 Ru8 S8 -","8","1","","Su, Wei; Tang, Zhaofeng; Li, Peiyuan; Wang, Gufeng; Xiao, Qi; Li, Yuchun; Huang, Shan; Gu, Yunqiong; Lai, Zefeng; Zhang, Yuexing","New dinuclear ruthenium arene complexes containing thiosemicarbazone ligands: synthesis, structure and cytotoxic studies.","Dalton transactions (Cambridge, England : 2003)","2016","45","48","19329","19340","10.1039/c6dt03306g","","x-ray","0.71073","MoKα","","0.082","0.0684","","","0.1929","0.2077","","","","","","1.094","","","","has coordinates","190125","2020-10-21","18:00:00",""
"7041126","22.1419","0.0009","11.491","0.0004","19.2736","0.0008","90","","90","","90","","4903.8","0.3","293","2","293","2","","","","","","","","7","P b c n","-P 2n 2ab","60","","","","- C40 H52 F12 N6 P2 Ru2 S2 -","- C40 H54 F12 N6 P2 Ru2 S2 -","- C160 H216 F48 N24 P8 Ru8 S8 -","4","0.5","","Su, Wei; Tang, Zhaofeng; Li, Peiyuan; Wang, Gufeng; Xiao, Qi; Li, Yuchun; Huang, Shan; Gu, Yunqiong; Lai, Zefeng; Zhang, Yuexing","New dinuclear ruthenium arene complexes containing thiosemicarbazone ligands: synthesis, structure and cytotoxic studies.","Dalton transactions (Cambridge, England : 2003)","2016","45","48","19329","19340","10.1039/c6dt03306g","","x-ray","0.71073","MoKα","","0.1147","0.0704","","","0.1648","0.1966","","","","","","1.085","","","","has coordinates","190125","2020-10-21","18:00:00",""
"7041127","14.4182","0.0013","27.226","0.002","19.1981","0.0016","90","","99.194","0.002","90","","7439.4","1.1","113","","113","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C160 H139 Cl4 N13 O26 Y4 -","- C160 H132 Cl4 N13 O26 Y4 -","- C320 H264 Cl8 N26 O52 Y8 -","2","0.5","","Zhang, Ru-Xia; Chang, Yi-Xin; Shen, Hai-Yun; Wang, Wen-Min; Zhou, Xiao-Pu; Wang, Ni-Ni; Cui, Jian-Zhong; Gao, Hong-Ling","Modulation of the relaxation dynamics of linear-shaped tetranuclear rare-earth clusters through utilizing different solvents.","Dalton transactions (Cambridge, England : 2003)","2016","45","47","19117","19126","10.1039/c6dt03500k","","","0.71073","MoKα","","0.0935","0.0592","","","0.1523","0.1736","","","","","","1.071","","","","has coordinates,has disorder","190203","2020-10-21","18:00:00",""
"7041128","14.342","0.002","27.548","0.004","19","0.003","90","","99.887","0.003","90","","7395.3","1.9","113","","113","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C156 H128 N12 O24 Tb4 -","- C156 H128 N12 O24 Tb4 -","- C312 H256 N24 O48 Tb8 -","2","0.5","","Zhang, Ru-Xia; Chang, Yi-Xin; Shen, Hai-Yun; Wang, Wen-Min; Zhou, Xiao-Pu; Wang, Ni-Ni; Cui, Jian-Zhong; Gao, Hong-Ling","Modulation of the relaxation dynamics of linear-shaped tetranuclear rare-earth clusters through utilizing different solvents.","Dalton transactions (Cambridge, England : 2003)","2016","45","47","19117","19126","10.1039/c6dt03500k","","","0.71073","MoKα","","0.1169","0.075","","","0.1827","0.2143","","","","","","1.128","","","","has coordinates,has disorder","190203","2020-10-21","18:00:00",""
"7041129","13.5775","0.0012","18.5073","0.0015","27.6","0.002","90","","102.99","0.002","90","","6757.9","0.9","113","","113","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C152 H122 Dy4 N10 O24 -","- C152 H122 Dy4 N10 O24 -","- C304 H244 Dy8 N20 O48 -","2","0.5","","Zhang, Ru-Xia; Chang, Yi-Xin; Shen, Hai-Yun; Wang, Wen-Min; Zhou, Xiao-Pu; Wang, Ni-Ni; Cui, Jian-Zhong; Gao, Hong-Ling","Modulation of the relaxation dynamics of linear-shaped tetranuclear rare-earth clusters through utilizing different solvents.","Dalton transactions (Cambridge, England : 2003)","2016","45","47","19117","19126","10.1039/c6dt03500k","","","0.71073","MoKα","","0.0472","0.0334","","","0.0744","0.0815","","","","","","1.055","","","","has coordinates,has disorder","190203","2020-10-21","18:00:00",""
"7041130","14.4324","0.0015","27.42","0.003","18.9236","0.0019","90","","99.698","0.002","90","","7381.7","1.3","113","","113","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C156 H128 Ho4 N12 O24 -","- C156 H128 Ho4 N12 O24 -","- C312 H256 Ho8 N24 O48 -","2","0.5","","Zhang, Ru-Xia; Chang, Yi-Xin; Shen, Hai-Yun; Wang, Wen-Min; Zhou, Xiao-Pu; Wang, Ni-Ni; Cui, Jian-Zhong; Gao, Hong-Ling","Modulation of the relaxation dynamics of linear-shaped tetranuclear rare-earth clusters through utilizing different solvents.","Dalton transactions (Cambridge, England : 2003)","2016","45","47","19117","19126","10.1039/c6dt03500k","","","0.71073","MoKα","","0.0391","0.0373","","","0.0854","0.0864","","","","","","1.226","","","","has coordinates,has disorder","190203","2020-10-21","18:00:00",""
"7041131","13.5727","0.0003","18.6832","0.0003","27.3285","0.0006","90","","102.62","0.002","90","","6762.6","0.2","113","2","113","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C76 H61 Er2 N5 O12 -","- C76 H61 Er2 N5 O12 -","- C304 H244 Er8 N20 O48 -","4","1","","Zhang, Ru-Xia; Chang, Yi-Xin; Shen, Hai-Yun; Wang, Wen-Min; Zhou, Xiao-Pu; Wang, Ni-Ni; Cui, Jian-Zhong; Gao, Hong-Ling","Modulation of the relaxation dynamics of linear-shaped tetranuclear rare-earth clusters through utilizing different solvents.","Dalton transactions (Cambridge, England : 2003)","2016","45","47","19117","19126","10.1039/c6dt03500k","","","0.71073","MoKα","","0.0557","0.0382","","","0.0875","0.0947","","","","","","1.04","","","","has coordinates,has disorder","190203","2020-10-21","18:00:00",""
"7041132","13.491","0.003","18.468","0.003","27.301","0.005","90","","102.641","0.004","90","","6637","2","113","","113","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C152 H122 Lu4 N10 O24 -","- C152 H122 Lu4 N10 O24 -","- C304 H244 Lu8 N20 O48 -","2","0.5","","Zhang, Ru-Xia; Chang, Yi-Xin; Shen, Hai-Yun; Wang, Wen-Min; Zhou, Xiao-Pu; Wang, Ni-Ni; Cui, Jian-Zhong; Gao, Hong-Ling","Modulation of the relaxation dynamics of linear-shaped tetranuclear rare-earth clusters through utilizing different solvents.","Dalton transactions (Cambridge, England : 2003)","2016","45","47","19117","19126","10.1039/c6dt03500k","","","0.71073","MoKα","","0.1106","0.0743","","","0.1753","0.2145","","","","","","1.184","","","","has coordinates","190203","2020-10-21","18:00:00",""
"7041133","17.345","0.002","23.547","0.002","18.849","0.002","90","","105.937","0.002","90","","7402.5","1.3","113","","113","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C162 H138 N14 O24 Tb4 -","- C162 H138 N14 O24 Tb4 -","- C324 H276 N28 O48 Tb8 -","2","0.5","","Zhang, Ru-Xia; Chang, Yi-Xin; Shen, Hai-Yun; Wang, Wen-Min; Zhou, Xiao-Pu; Wang, Ni-Ni; Cui, Jian-Zhong; Gao, Hong-Ling","Modulation of the relaxation dynamics of linear-shaped tetranuclear rare-earth clusters through utilizing different solvents.","Dalton transactions (Cambridge, England : 2003)","2016","45","47","19117","19126","10.1039/c6dt03500k","","","0.71073","MoKα","","0.1253","0.0628","","","0.1339","0.1638","","","","","","1.055","","","","has coordinates","190203","2020-10-21","18:00:00",""
"7041134","15.72","0.002","18.621","0.002","24.284","0.003","90","","95.768","0.003","90","","7072.5","1.5","113","","113","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C156 H129 Dy4 N11 O24 -","- C156 H129 Dy4 N11 O24 -","- C312 H258 Dy8 N22 O48 -","2","0.5","","Zhang, Ru-Xia; Chang, Yi-Xin; Shen, Hai-Yun; Wang, Wen-Min; Zhou, Xiao-Pu; Wang, Ni-Ni; Cui, Jian-Zhong; Gao, Hong-Ling","Modulation of the relaxation dynamics of linear-shaped tetranuclear rare-earth clusters through utilizing different solvents.","Dalton transactions (Cambridge, England : 2003)","2016","45","47","19117","19126","10.1039/c6dt03500k","","","0.71073","MoKα","","0.0281","0.022","","","0.0622","0.0648","","","","","","1.048","","","","has coordinates,has disorder","190203","2020-10-21","18:00:00",""
"7041135","17.284","0.0007","23.5234","0.001","18.8185","0.0008","90","","105.824","0.002","90","","7361.2","0.5","113","2","113","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C162 H138 Ho4 N14 O24 -","- C162 H138 Ho4 N14 O24 -","- C324 H276 Ho8 N28 O48 -","2","0.5","","Zhang, Ru-Xia; Chang, Yi-Xin; Shen, Hai-Yun; Wang, Wen-Min; Zhou, Xiao-Pu; Wang, Ni-Ni; Cui, Jian-Zhong; Gao, Hong-Ling","Modulation of the relaxation dynamics of linear-shaped tetranuclear rare-earth clusters through utilizing different solvents.","Dalton transactions (Cambridge, England : 2003)","2016","45","47","19117","19126","10.1039/c6dt03500k","","","0.71073","MoKα","","0.0287","0.0232","","","0.0633","0.0657","","","","","","1.074","","","","has coordinates","190203","2020-10-21","18:00:00",""
"7041136","17.318","0.005","8.868","0.003","6.779","0.002","90","","90.238","0.004","90","","1041.1","0.6","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- B3 Bi2 Ga O11 Pb2 -","- B3 Bi2 Ga O11 Pb2 -","- B12 Bi8 Ga4 O44 Pb8 -","4","0.5","","Liu, Lili; Yang, Yun; Li, Linping; Yang, Zhihua; Pan, Shilie","Pb2Bi2GaB3O11, a new congruent-melting galloborate containing two types of asymmetric cations with a moderate birefringence.","Dalton transactions (Cambridge, England : 2003)","2016","45","47","18977","18983","10.1039/c6dt03761e","","","0.71073","MoKα","","0.0479","0.0359","","","0.0881","0.1163","","","","","","1.179","","","","has coordinates","190209","2020-10-21","18:00:00",""
"7041137","14.6557","0.001","22.6968","0.0016","10.1625","0.0008","90","","90","","90","","3380.4","0.4","100","2","100","2","","","","","","","","6","P n n a","-P 2a 2bc","52","","","","- C30.75 H28.75 Br2 Cl2 N4 Zn -","- C30.68 H28.68 Br2 Cl2.04 N4 Zn -","- C122.72 H114.72 Br8 Cl8.16 N16 Zn4 -","4","0.5","","Cametti, Massimo; Martí-Rujas, Javier","Selective adsorption of chlorinated volatile organic compound vapours by microcrystalline 1D coordination polymers.","Dalton transactions (Cambridge, England : 2003)","2016","45","47","18832","18837","10.1039/c6dt03803d","","","1.54178","CuKα","","0.0756","0.0619","","","0.1885","0.198","","","","","","1.091","","","","has coordinates,has disorder","190214","2020-10-21","18:00:00",""
"7041138","14.4863","0.0013","22.1482","0.0019","11.089","0.0011","90","","90","","90","","3557.9","0.6","100","2","100","2","","","","","","","","6","P n n a","-P 2a 2bc","52","","","","- C15.38 H14.38 Cl1.25 I N2 Zn0.5 -","- C15.4 H14.4 Cl1.3 I N2 Zn0.5 -","- C123.2 H115.2 Cl10.4 I8 N16 Zn4 -","8","1","","Cametti, Massimo; Martí-Rujas, Javier","Selective adsorption of chlorinated volatile organic compound vapours by microcrystalline 1D coordination polymers.","Dalton transactions (Cambridge, England : 2003)","2016","45","47","18832","18837","10.1039/c6dt03803d","","","1.54178","CuKα","","0.0936","0.0558","","","0.1585","0.1766","","","","","","1.111","","","","has coordinates,has disorder","190214","2020-10-21","18:00:00",""
"7041139","14.7372","0.0011","22.7121","0.0016","9.9658","0.0008","90","","90","","90","","3335.7","0.4","200","2","200","2","","","","","","","","5","P n n a","-P 2a 2bc","52","","","","- C16 H14.5 Cl2.5 N2 Zn0.5 -","- C16 H14.5 Cl2.5 N2 Zn0.5 -","- C128 H116 Cl20 N16 Zn4 -","8","1","","Cametti, Massimo; Martí-Rujas, Javier","Selective adsorption of chlorinated volatile organic compound vapours by microcrystalline 1D coordination polymers.","Dalton transactions (Cambridge, England : 2003)","2016","45","47","18832","18837","10.1039/c6dt03803d","","","1.54178","CuKα","","0.0967","0.0839","","","0.2415","0.2599","","","","","","1.04","","","","has coordinates,has disorder","190214","2020-10-21","18:00:00",""
"7041140","14.7485","0.0014","22.317","0.002","10.457","0.0011","90","","90","","90","","3441.8","0.6","296","2","296","2","","","","","","","","5","P n n a","-P 2a 2bc","52","","","","- C17 H17 Cl N3 Zn0.5 -","- C17 H17 Cl N3 Zn0.5 -","- C136 H136 Cl8 N24 Zn4 -","8","1","","Cametti, Massimo; Martí-Rujas, Javier","Selective adsorption of chlorinated volatile organic compound vapours by microcrystalline 1D coordination polymers.","Dalton transactions (Cambridge, England : 2003)","2016","45","47","18832","18837","10.1039/c6dt03803d","","","1.54178","CuKα","","0.0536","0.0384","","","0.1002","0.1111","","","","","","1.017","","","","has coordinates","190214","2020-10-21","18:00:00",""
"7041141","14.8955","0.0011","22.5127","0.0017","10.2599","0.0007","90","","90","","90","","3440.5","0.4","296","2","296","2","","","","","","","","5","P n n a","-P 2a 2bc","52","","","","- C17 H17 Br N3 Zn0.5 -","- C17 H17 Br N3 Zn0.5 -","- C136 H136 Br8 N24 Zn4 -","8","1","","Cametti, Massimo; Martí-Rujas, Javier","Selective adsorption of chlorinated volatile organic compound vapours by microcrystalline 1D coordination polymers.","Dalton transactions (Cambridge, England : 2003)","2016","45","47","18832","18837","10.1039/c6dt03803d","","","1.54178","CuKα","","0.1355","0.106","","","0.2787","0.307","","","","","","0.96","","","","has coordinates","190214","2020-10-21","18:00:00",""
"7041142","15.077","0.003","22.57","0.004","10.412","0.002","90","","90","","90","","3543.1","1.2","296","2","296","2","","","","","","","","5","P n n a","-P 2a 2bc","52","","","","- C16.5 H15.75 I N2.5 Zn0.5 -","- C16 H14 I N2.5 Zn0.5 -","- C128 H112 I8 N20 Zn4 -","8","1","","Cametti, Massimo; Martí-Rujas, Javier","Selective adsorption of chlorinated volatile organic compound vapours by microcrystalline 1D coordination polymers.","Dalton transactions (Cambridge, England : 2003)","2016","45","47","18832","18837","10.1039/c6dt03803d","","","1.54178","CuKα","","0.2136","0.1506","","","0.3736","0.4593","","","","","","1.004","","","","has coordinates","190214","2020-10-21","18:00:00",""
"7041143","14.9803","0.0014","22.733","0.0019","10.0998","0.0008","90","","90","","90","","3439.5","0.5","100","2","100","2","","","","","","","","5","P n n a","-P 2a 2bc","52","","","","- C16.5 H17 I N2.5 Zn0.5 -","- C16 H14 I N2.5 Zn0.5 -","- C128 H112 I8 N20 Zn4 -","8","1","","Cametti, Massimo; Martí-Rujas, Javier","Selective adsorption of chlorinated volatile organic compound vapours by microcrystalline 1D coordination polymers.","Dalton transactions (Cambridge, England : 2003)","2016","45","47","18832","18837","10.1039/c6dt03803d","","","1.54178","CuKα","","0.0726","0.0513","","","0.1247","0.137","","","","","","1.154","","","","has coordinates","190214","2020-10-21","18:00:00",""
"7041144","9.764","0.001","9.9944","0.0011","12.5314","0.0013","77.53","0.002","89.112","0.002","88.654","0.002","1193.6","0.2","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C24 H20 Co N4 O8 S -","- C24 H20 Co N4 O8 S -","- C48 H40 Co2 N8 O16 S2 -","2","1","","Wang, Xiu-Li; Wu, Xiao-Mei; Liu, Guo-Cheng; Lin, Hong-Yan; Wang, Xiang","The assembly of thiophene-based bis-pyridyl-bis-amide Co(II) coordination polymers and their polypyrrole-functionalized hybrid materials for boosting their photocatalytic performances.","Dalton transactions (Cambridge, England : 2003)","2016","45","48","19341","19350","10.1039/c6dt03430f","","","0.71073","MoKα","","0.0713","0.0513","","","0.1376","0.1508","","","","","","1","","","","has coordinates","190132","2020-10-21","18:00:00",""
"7041145","9.9581","0.0006","10.7625","0.0006","13.6159","0.0007","71.809","0.001","74.815","0.001","65.984","0.001","1250.94","0.12","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C25 H22 Co N4 O8 S -","- C25 H22 Co N4 O8 S -","- C50 H44 Co2 N8 O16 S2 -","2","1","","Wang, Xiu-Li; Wu, Xiao-Mei; Liu, Guo-Cheng; Lin, Hong-Yan; Wang, Xiang","The assembly of thiophene-based bis-pyridyl-bis-amide Co(II) coordination polymers and their polypyrrole-functionalized hybrid materials for boosting their photocatalytic performances.","Dalton transactions (Cambridge, England : 2003)","2016","45","48","19341","19350","10.1039/c6dt03430f","","","0.71073","MoKα","","0.0465","0.035","","","0.0864","0.0926","","","","","","0.998","","","","has coordinates","190132","2020-10-21","18:00:00",""
"7041146","9.5246","0.0007","10.0058","0.0007","13.2187","0.0008","81.45","0.001","78.08","0.001","68.531","0.001","1143.37","0.14","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C25 H16 Co N4 O8 S -","- C25 H16 Co N4 O8 S -","- C50 H32 Co2 N8 O16 S2 -","2","1","","Wang, Xiu-Li; Wu, Xiao-Mei; Liu, Guo-Cheng; Lin, Hong-Yan; Wang, Xiang","The assembly of thiophene-based bis-pyridyl-bis-amide Co(II) coordination polymers and their polypyrrole-functionalized hybrid materials for boosting their photocatalytic performances.","Dalton transactions (Cambridge, England : 2003)","2016","45","48","19341","19350","10.1039/c6dt03430f","","","0.71073","MoKα","","0.0537","0.04","","","0.0935","0.1011","","","","","","0.999","","","","has coordinates,has disorder","190132","2020-10-21","18:00:00",""
"7041147","10.029","0.005","10.751","0.005","13.259","0.005","75.042","0.005","77.429","0.005","67.745","0.005","1266.7","1","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C24 H19 Co N5 O10 S -","- C24 H19 Co N5 O10 S -","- C48 H38 Co2 N10 O20 S2 -","2","1","","Wang, Xiu-Li; Wu, Xiao-Mei; Liu, Guo-Cheng; Lin, Hong-Yan; Wang, Xiang","The assembly of thiophene-based bis-pyridyl-bis-amide Co(II) coordination polymers and their polypyrrole-functionalized hybrid materials for boosting their photocatalytic performances.","Dalton transactions (Cambridge, England : 2003)","2016","45","48","19341","19350","10.1039/c6dt03430f","","","0.71069","MoKα","","0.0546","0.0368","","","0.082","0.0899","","","","","","1","","","","has coordinates","190132","2020-10-21","18:00:00",""
"7041148","8.2206","0.0009","29.376","0.003","10.0633","0.0011","90","","100.781","0.002","90","","2387.3","0.4","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C24 H20 Co N4 O8 S -","- C24 H18 Co N4 O8 S -","- C96 H72 Co4 N16 O32 S4 -","4","1","","Wang, Xiu-Li; Wu, Xiao-Mei; Liu, Guo-Cheng; Lin, Hong-Yan; Wang, Xiang","The assembly of thiophene-based bis-pyridyl-bis-amide Co(II) coordination polymers and their polypyrrole-functionalized hybrid materials for boosting their photocatalytic performances.","Dalton transactions (Cambridge, England : 2003)","2016","45","48","19341","19350","10.1039/c6dt03430f","","","0.71073","MoKα","","0.0634","0.0473","","","0.1107","0.118","","","","","","1.001","","","","has coordinates","190132","2020-10-21","18:00:00",""
"7041149","14.6785","0.0009","6.2745","0.0004","19.1494","0.0012","90","","107.356","0.004","90","","1683.36","0.19","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H19 N3 O -","- C20 H19 N3 O -","- C80 H76 N12 O4 -","4","1","","Ghosh, Abhijit; Adhikari, Sangita; Ta, Sabyasachi; Banik, Avishek; Dangar, Tushar Kanti; Mukhopadhyay, Subhra Kanti; Matalobos, Jesús Sanmartín; Brandão, Paula; Félix, Vítor; Das, Debasis","Tuning of azine derivatives for selective recognition of Ag(+) with the in vitro tracking of endophytic bacteria in rice root tissue.","Dalton transactions (Cambridge, England : 2003)","2016","45","48","19491","19499","10.1039/c6dt03117j","","","0.71073","MoKα","","0.0963","0.0504","","","0.1349","0.1645","","","","","","0.997","","","","has coordinates","190134","2020-10-21","18:00:00",""
"7041150","11.0729","0.0005","6.3772","0.0003","26.6135","0.0012","90","","98.155","0.003","90","","1860.28","0.15","296","2","296","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C24 H21 N3 -","- C24 H21 N3 -","- C96 H84 N12 -","4","1","","Ghosh, Abhijit; Adhikari, Sangita; Ta, Sabyasachi; Banik, Avishek; Dangar, Tushar Kanti; Mukhopadhyay, Subhra Kanti; Matalobos, Jesús Sanmartín; Brandão, Paula; Félix, Vítor; Das, Debasis","Tuning of azine derivatives for selective recognition of Ag(+) with the in vitro tracking of endophytic bacteria in rice root tissue.","Dalton transactions (Cambridge, England : 2003)","2016","45","48","19491","19499","10.1039/c6dt03117j","","","0.71073","MoKα","","0.08","0.0446","","","0.1155","0.1335","","","","","","1.035","","","","has coordinates","190134","2020-10-21","18:00:00",""
"7041151","9.7677","0.0006","11.6665","0.0006","13.4972","0.0008","71.209","0.002","76.812","0.002","79.526","0.002","1407.87","0.14","149","2","149","2","","","","","","","","6","P -1","-P 1","2","","","","- C55 H68 Ag2 Cl2 N14 O6 -","- C55 H68 Ag2 Cl2 N14 O6 -","- C55 H68 Ag2 Cl2 N14 O6 -","1","0.5","","Ghosh, Abhijit; Adhikari, Sangita; Ta, Sabyasachi; Banik, Avishek; Dangar, Tushar Kanti; Mukhopadhyay, Subhra Kanti; Matalobos, Jesús Sanmartín; Brandão, Paula; Félix, Vítor; Das, Debasis","Tuning of azine derivatives for selective recognition of Ag(+) with the in vitro tracking of endophytic bacteria in rice root tissue.","Dalton transactions (Cambridge, England : 2003)","2016","45","48","19491","19499","10.1039/c6dt03117j","","","0.71073","MoKα","","0.032","0.0255","","","0.0638","0.0669","","","","","","1.044","","","","has coordinates,has disorder","190134","2020-10-21","18:00:00",""
"7041152","5.9874","0.0004","7.3745","0.0006","18.9986","0.0015","90","","90.499","0.005","90","","838.83","0.11","296","2","296","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C18 H22 N4 -","- C18 H22 N4 -","- C36 H44 N8 -","2","0.5","","Ghosh, Abhijit; Adhikari, Sangita; Ta, Sabyasachi; Banik, Avishek; Dangar, Tushar Kanti; Mukhopadhyay, Subhra Kanti; Matalobos, Jesús Sanmartín; Brandão, Paula; Félix, Vítor; Das, Debasis","Tuning of azine derivatives for selective recognition of Ag(+) with the in vitro tracking of endophytic bacteria in rice root tissue.","Dalton transactions (Cambridge, England : 2003)","2016","45","48","19491","19499","10.1039/c6dt03117j","","","0.71073","MoKα","","0.0761","0.0475","","","0.1406","0.1665","","","","","","1.041","","","","has coordinates","190134","2020-10-21","18:00:00",""
"7041153","18.5211","0.0005","14.635","0.0005","13.6223","0.0004","90","","111.121","0.002","90","","3444.36","0.19","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C40 H38 Ag N7 O3 -","- C40 H38 Ag N7 O3 -","- C160 H152 Ag4 N28 O12 -","4","0.5","","Ghosh, Abhijit; Adhikari, Sangita; Ta, Sabyasachi; Banik, Avishek; Dangar, Tushar Kanti; Mukhopadhyay, Subhra Kanti; Matalobos, Jesús Sanmartín; Brandão, Paula; Félix, Vítor; Das, Debasis","Tuning of azine derivatives for selective recognition of Ag(+) with the in vitro tracking of endophytic bacteria in rice root tissue.","Dalton transactions (Cambridge, England : 2003)","2016","45","48","19491","19499","10.1039/c6dt03117j","","","0.71073","MoKα","","0.0594","0.0409","","","0.0974","0.1064","","","","","","1.033","","","","has coordinates","190134","2020-10-21","18:00:00",""
"7041154","7.4252","0.0003","26.399","0.0007","10.871","0.003","90","","100.611","0.002","90","","2094.5","0.6","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H21.5 Ag N4 O3.25 -","- C24 H21.5 Ag N4 O3.25 -","- C96 H86 Ag4 N16 O13 -","4","1","","Ghosh, Abhijit; Adhikari, Sangita; Ta, Sabyasachi; Banik, Avishek; Dangar, Tushar Kanti; Mukhopadhyay, Subhra Kanti; Matalobos, Jesús Sanmartín; Brandão, Paula; Félix, Vítor; Das, Debasis","Tuning of azine derivatives for selective recognition of Ag(+) with the in vitro tracking of endophytic bacteria in rice root tissue.","Dalton transactions (Cambridge, England : 2003)","2016","45","48","19491","19499","10.1039/c6dt03117j","","","0.71073","MoKα","","0.0548","0.0414","","","0.0878","0.0923","","","","","","1.13","","","","has coordinates,has disorder","190134","2020-10-21","18:00:00",""
"7041155","10.7785","0.0007","23.8622","0.0011","23.4218","0.0015","90","","100.611","0.006","90","","5921","0.6","298","","298","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C60 H58 N12 O8 Ru2 -","- C60 H58 N12 O8 Ru2 -","- C240 H232 N48 O32 Ru8 -","4","1","","Shatskiy, Andrey; Lomoth, Reiner; Abdel-Magied, Ahmed F; Rabten, Wangchuk; Laine, Tanja M.; Chen, Hong; Sun, Junliang; Andersson, Pher G.; Kärkäs, Markus D; Johnston, Eric V.; Åkermark, Björn","Catalyst-solvent interactions in a dinuclear Ru-based water oxidation catalyst.","Dalton transactions (Cambridge, England : 2003)","2016","45","47","19024","19033","10.1039/c6dt03789e","","","0.71073","MoKα","","0.0884","0.0628","","","0.1524","0.174","","","","","","1.013","","","","has coordinates","190213","2020-10-21","18:00:00",""
"7041156","14.4759","0.001","24.9146","0.0017","15.7555","0.0011","90","","107.913","0.001","90","","5406.9","0.6","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C32 H27 Br13 Co N7 Pb5 -","- C32 H27 Br13 Co N7 Pb5 -","- C128 H108 Br52 Co4 N28 Pb20 -","4","1","","Lei, Xiao-Wu; Yue, Cheng-Yang; Wei, Jun-Chao; Li, Rui-Qing; Li, Yan; Mi, Fu-Qi","Transition metal complex directed lead bromides with tunable structures and visible light driven photocatalytic properties.","Dalton transactions (Cambridge, England : 2003)","2016","45","48","19389","19398","10.1039/c6dt03601e","","","0.71073","MoKα","","0.0695","0.0347","","","0.058","0.0653","","","","","","0.997","","","","has coordinates","190139","2020-10-21","18:00:00",""
"7041157","21.3648","0.0019","21.3648","0.0019","22.577","0.002","90","","90","","120","","8924.7","1.4","296","2","296","2","","","","","","","","6","R 3 :H","R 3","146","","","","- C90 H72 Br24 Co5 N18 Pb7 -","- C90 H72 Br24 Co5 N18 Pb7 -","- C270 H216 Br72 Co15 N54 Pb21 -","3","0.333333","","Lei, Xiao-Wu; Yue, Cheng-Yang; Wei, Jun-Chao; Li, Rui-Qing; Li, Yan; Mi, Fu-Qi","Transition metal complex directed lead bromides with tunable structures and visible light driven photocatalytic properties.","Dalton transactions (Cambridge, England : 2003)","2016","45","48","19389","19398","10.1039/c6dt03601e","","","0.71073","MoKα","","0.0861","0.0543","","","0.1001","0.1099","","","","","","1.029","","","","has coordinates","190139","2020-10-21","18:00:00",""
"7041158","18.4526","0.0013","7.4791","0.0005","35.431","0.003","90","","90","","90","","4889.8","0.6","296","2","296","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C20 H16 Br4 Co N4 Pb -","- C20 H16 Br4 Co N4 Pb -","- C160 H128 Br32 Co8 N32 Pb8 -","8","1","","Lei, Xiao-Wu; Yue, Cheng-Yang; Wei, Jun-Chao; Li, Rui-Qing; Li, Yan; Mi, Fu-Qi","Transition metal complex directed lead bromides with tunable structures and visible light driven photocatalytic properties.","Dalton transactions (Cambridge, England : 2003)","2016","45","48","19389","19398","10.1039/c6dt03601e","","","0.71073","MoKα","","0.0795","0.0404","","","0.0708","0.081","","","","","","1.049","","","","has coordinates","190139","2020-10-21","18:00:00",""
"7041159","14.381","0.002","17.505","0.003","18.203","0.003","68.993","0.002","88.929","0.002","72.293","0.002","4054.1","1.1","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C36 H24 Br6 Co N6 Pb2 -","- C36 H24 Br6 Co N6 Pb2 -","- C144 H96 Br24 Co4 N24 Pb8 -","4","2","","Lei, Xiao-Wu; Yue, Cheng-Yang; Wei, Jun-Chao; Li, Rui-Qing; Li, Yan; Mi, Fu-Qi","Transition metal complex directed lead bromides with tunable structures and visible light driven photocatalytic properties.","Dalton transactions (Cambridge, England : 2003)","2016","45","48","19389","19398","10.1039/c6dt03601e","","","0.71073","MoKα","","0.1149","0.0464","","","0.0956","0.1164","","","","","","0.942","","","","has coordinates","190139","2020-10-21","18:00:00",""
"7041160","14.4931","0.0019","17.568","0.002","18.275","0.002","68.759","0.002","89.049","0.002","72.207","0.002","4106.2","0.8","296","2","296.15","","","","","","","","","6","P -1","-P 1","2","","","","- C36 H24 Br6 N6 Ni Pb2 -","- C36 H24 Br6 N6 Ni Pb2 -","- C144 H96 Br24 N24 Ni4 Pb8 -","4","2","","Lei, Xiao-Wu; Yue, Cheng-Yang; Wei, Jun-Chao; Li, Rui-Qing; Li, Yan; Mi, Fu-Qi","Transition metal complex directed lead bromides with tunable structures and visible light driven photocatalytic properties.","Dalton transactions (Cambridge, England : 2003)","2016","45","48","19389","19398","10.1039/c6dt03601e","","","0.71073","MoKα","","0.0864","0.0419","","","0.0953","0.1077","","","","","","1.018","","","","has coordinates","190139","2020-10-21","18:00:00",""
"7041161","9.767","0.002","30.947","0.007","16.057","0.003","90","","115.735","0.011","90","","4372","1.6","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C30 H24 Br9 Co N6 Pb3 -","- C30 H24 Br9 Co N6 Pb3 -","- C120 H96 Br36 Co4 N24 Pb12 -","4","1","","Lei, Xiao-Wu; Yue, Cheng-Yang; Wei, Jun-Chao; Li, Rui-Qing; Li, Yan; Mi, Fu-Qi","Transition metal complex directed lead bromides with tunable structures and visible light driven photocatalytic properties.","Dalton transactions (Cambridge, England : 2003)","2016","45","48","19389","19398","10.1039/c6dt03601e","","","0.71073","MoKα","","0.1258","0.0664","","","0.1467","0.1726","","","","","","1.001","","","","has coordinates","190139","2020-10-21","18:00:00",""
"7041162","8.472","0.0017","15.523","0.003","28.037","0.006","90","","92.32","0.03","90","","3684.1","1.3","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C42 H29 Cl Fe N6 O P -","- C42 H29 Cl Fe N6 O P -","- C168 H116 Cl4 Fe4 N24 O4 P4 -","4","1","","Sohn, Ah Ram; Lim, Kwang Soo; Kang, Dong Won; Song, Jeong Hwa; Koh, Eui Kwan; Moon, Dohyun; Hong, Chang Seop","Tuning of chain chirality by interchain stacking forces and the structure-property relationship in coordination systems constructed by meridional Fe(III) cyanide and Mn(III) Schiff bases.","Dalton transactions (Cambridge, England : 2003)","2016","45","48","19416","19427","10.1039/c6dt03222b","","","0.85","synchrotron","","0.1016","0.0955","","","0.2417","0.2487","","","","","","1.049","","","","has coordinates","190123","2020-10-21","18:00:00",""
"7041163","8.917","0.0018","14.417","0.003","14.577","0.003","109.84","0.03","96.49","0.03","98.1","0.03","1718.9","0.8","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C42 H29 Br Fe N6 O P -","- C42 H29 Br Fe N6 O P -","- C84 H58 Br2 Fe2 N12 O2 P2 -","2","1","","Sohn, Ah Ram; Lim, Kwang Soo; Kang, Dong Won; Song, Jeong Hwa; Koh, Eui Kwan; Moon, Dohyun; Hong, Chang Seop","Tuning of chain chirality by interchain stacking forces and the structure-property relationship in coordination systems constructed by meridional Fe(III) cyanide and Mn(III) Schiff bases.","Dalton transactions (Cambridge, England : 2003)","2016","45","48","19416","19427","10.1039/c6dt03222b","","","0.9","synchrotron","","0.1008","0.0992","","","0.2523","0.2535","","","","","","1.092","","","","has coordinates","190123","2020-10-21","18:00:00",""
"7041164","13.013","0.003","10.537","0.002","25.601","0.005","90","","101.91","0.03","90","","3434.8","1.3","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C34 H22 Cl Fe Mn N8 O4 -","- C34 H22 Cl Fe Mn N8 O4 -","- C136 H88 Cl4 Fe4 Mn4 N32 O16 -","4","1","","Sohn, Ah Ram; Lim, Kwang Soo; Kang, Dong Won; Song, Jeong Hwa; Koh, Eui Kwan; Moon, Dohyun; Hong, Chang Seop","Tuning of chain chirality by interchain stacking forces and the structure-property relationship in coordination systems constructed by meridional Fe(III) cyanide and Mn(III) Schiff bases.","Dalton transactions (Cambridge, England : 2003)","2016","45","48","19416","19427","10.1039/c6dt03222b","","","0.9","synchrotron","","0.0889","0.0678","","","0.182","0.1973","","","","","","1.075","","","","has coordinates","190123","2020-10-21","18:00:00",""
"7041165","10.4997","0.0008","12.8619","0.001","26.645","0.002","90","","96.843","0.002","90","","3572.7","0.5","296","2","296","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C34 H17 Br2 Cl Fe Mn N8 O3 -","- C34 H17 Br2 Cl Fe Mn N8 O3 -","- C136 H68 Br8 Cl4 Fe4 Mn4 N32 O12 -","4","1","","Sohn, Ah Ram; Lim, Kwang Soo; Kang, Dong Won; Song, Jeong Hwa; Koh, Eui Kwan; Moon, Dohyun; Hong, Chang Seop","Tuning of chain chirality by interchain stacking forces and the structure-property relationship in coordination systems constructed by meridional Fe(III) cyanide and Mn(III) Schiff bases.","Dalton transactions (Cambridge, England : 2003)","2016","45","48","19416","19427","10.1039/c6dt03222b","","","0.71073","MoKα","","0.1512","0.0635","","","0.1683","0.2151","","","","","","1.028","","","","has coordinates","190123","2020-10-21","18:00:00",""
"7041166","10.68","0.002","12.549","0.003","27.054","0.005","90","","98.62","0.03","90","","3584.9","1.3","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C34 H23 Br Fe Mn N8 O3 -","- C34 H23 Br Fe Mn N8 O3 -","- C136 H92 Br4 Fe4 Mn4 N32 O12 -","4","1","","Sohn, Ah Ram; Lim, Kwang Soo; Kang, Dong Won; Song, Jeong Hwa; Koh, Eui Kwan; Moon, Dohyun; Hong, Chang Seop","Tuning of chain chirality by interchain stacking forces and the structure-property relationship in coordination systems constructed by meridional Fe(III) cyanide and Mn(III) Schiff bases.","Dalton transactions (Cambridge, England : 2003)","2016","45","48","19416","19427","10.1039/c6dt03222b","","","0.71073","synchrotron","","0.072","0.0536","","","0.146","0.1555","","","","","","1.052","","","","has coordinates","190123","2020-10-21","18:00:00",""
"7041167","27.1284","0.0008","12.7388","0.0004","20.6433","0.0008","90","","95.705","0.001","90","","7098.6","0.4","296","2","296","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C34 H21 Br F2 Fe Mn N8 O3 -","- C34 H21 Br F2 Fe Mn N8 O3 -","- C272 H168 Br8 F16 Fe8 Mn8 N64 O24 -","8","1","","Sohn, Ah Ram; Lim, Kwang Soo; Kang, Dong Won; Song, Jeong Hwa; Koh, Eui Kwan; Moon, Dohyun; Hong, Chang Seop","Tuning of chain chirality by interchain stacking forces and the structure-property relationship in coordination systems constructed by meridional Fe(III) cyanide and Mn(III) Schiff bases.","Dalton transactions (Cambridge, England : 2003)","2016","45","48","19416","19427","10.1039/c6dt03222b","","","0.71073","MoKα","","0.0953","0.057","","","0.1463","0.164","","","","","","1.042","","","","has coordinates","190123","2020-10-21","18:00:00",""
"7041168","10.4825","0.0002","12.7551","0.0003","26.6716","0.0006","90","","96.784","0.001","90","","3541.17","0.13","296","2","296","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C34 H21 Br Cl2 Fe Mn N8 O3 -","- C34 H21 Br Cl2 Fe Mn N8 O3 -","- C136 H84 Br4 Cl8 Fe4 Mn4 N32 O12 -","4","1","","Sohn, Ah Ram; Lim, Kwang Soo; Kang, Dong Won; Song, Jeong Hwa; Koh, Eui Kwan; Moon, Dohyun; Hong, Chang Seop","Tuning of chain chirality by interchain stacking forces and the structure-property relationship in coordination systems constructed by meridional Fe(III) cyanide and Mn(III) Schiff bases.","Dalton transactions (Cambridge, England : 2003)","2016","45","48","19416","19427","10.1039/c6dt03222b","","","0.71073","MoKα","","0.0919","0.0679","","","0.175","0.19","","","","","","1.026","","","","has coordinates","190123","2020-10-21","18:00:00",""
"7041169","10.4788","0.0004","12.8922","0.0004","26.6392","0.0009","90","","96.718","0.002","90","","3574.1","0.2","296","2","296","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C34 H21 Br3 Fe Mn N8 O3 -","- C34 H21 Br3 Fe Mn N8 O3 -","- C136 H84 Br12 Fe4 Mn4 N32 O12 -","4","1","","Sohn, Ah Ram; Lim, Kwang Soo; Kang, Dong Won; Song, Jeong Hwa; Koh, Eui Kwan; Moon, Dohyun; Hong, Chang Seop","Tuning of chain chirality by interchain stacking forces and the structure-property relationship in coordination systems constructed by meridional Fe(III) cyanide and Mn(III) Schiff bases.","Dalton transactions (Cambridge, England : 2003)","2016","45","48","19416","19427","10.1039/c6dt03222b","","","0.71073","MoKα","","0.0773","0.0535","","","0.1219","0.1324","","","","","","1.053","","","","has coordinates","190123","2020-10-21","18:00:00",""
"7041170","24.0713","0.0006","14.3578","0.0005","28.5472","0.0015","90","","94.407","0.003","90","","9837.1","0.7","130","0.1","130","0.1","","","","","","","","7","I 1 2/a 1","-I 2ya","15","","","","- C70 H134 B2 Mn Mo6 N5 O28 -","- C22 B2 Mn Mo6 N2 O28 -","- C88 B8 Mn4 Mo24 N8 O112 -","4","0.5","","Karoui, Hedi; Ritchie, Chris","Boronic acid and boronic ester containing polyoxometalates.","Dalton transactions (Cambridge, England : 2003)","2016","45","47","18838","18841","10.1039/c6dt04197c","","x-ray","1.54184","CuKα","","0.0895","0.0742","","","0.2487","0.2647","","","","","","1.147","","","","has coordinates,has disorder","190206","2020-10-21","18:00:00",""
"7041171","22.8863","0.0008","24.7348","0.0007","18.1665","0.0006","90","","93.009","0.003","90","","10269.7","0.6","130","0.1","130","0.1","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C148 H284 B4 Mn2 Mo12 N10 O56 -","- C110.572 H34 B4 Mn2 Mo12 N9.3332 O56.7972 -","- C221.143 H68 B8 Mn4 Mo24 N18.6664 O113.594 -","2","0.5","","Karoui, Hedi; Ritchie, Chris","Boronic acid and boronic ester containing polyoxometalates.","Dalton transactions (Cambridge, England : 2003)","2016","45","47","18838","18841","10.1039/c6dt04197c","","x-ray","1.54184","CuKα","","0.1975","0.1071","","","0.2975","0.3789","","","","","","1.074","","","","has coordinates,has disorder","190206","2020-10-21","18:00:00",""
"7041172","35.796","0.003","13.2361","0.0003","25.8822","0.0019","90","","128.966","0.012","90","","9534.7","1.9","284.17","0.1","130","0.1","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C76 H142 B2 Mn Mo6 N5 O28 -","- C76 H142 B2 Mn Mo6 N5 O28 -","- C304 H568 B8 Mn4 Mo24 N20 O112 -","4","0.5","","Karoui, Hedi; Ritchie, Chris","Boronic acid and boronic ester containing polyoxometalates.","Dalton transactions (Cambridge, England : 2003)","2016","45","47","18838","18841","10.1039/c6dt04197c","","x-ray","1.54184","CuKα","","0.0593","0.0472","","","0.1448","0.1548","","","","","","1.129","","","","has coordinates","190206","2020-10-21","18:00:00",""
"7041173","12.4579","0.0004","12.4065","0.0005","14.3704","0.0006","90","","111.364","0.004","90","","2068.45","0.15","200","2","200","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C16 H25 Cl2 Co N4 P -","- C16 H25 Cl2 Co N4 P -","- C64 H100 Cl8 Co4 N16 P4 -","4","1","","Gong, Dirong; Zhang, Xuequan; Huang, Kuo-Wei","Regio- and stereo-selective polymerization of 1,3-butadiene catalyzed by phosphorus-nitrogen PN(3)-pincer cobalt(ii) complexes.","Dalton transactions (Cambridge, England : 2003)","2016","45","48","19399","19407","10.1039/c6dt03722d","","","0.71073","MoKα","","0.0566","0.0381","","","0.0837","0.0929","","","","","","1.049","","","","has coordinates","190136","2020-10-21","18:00:00",""
"7041174","16.2575","0.0008","9.2445","0.0004","15.8382","0.0006","90","","107.243","0.004","90","","2273.38","0.18","200","2","200","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C18 H29 Cl2 Co N4 P -","- C18 H29 Cl2 Co N4 P -","- C72 H116 Cl8 Co4 N16 P4 -","4","1","","Gong, Dirong; Zhang, Xuequan; Huang, Kuo-Wei","Regio- and stereo-selective polymerization of 1,3-butadiene catalyzed by phosphorus-nitrogen PN(3)-pincer cobalt(ii) complexes.","Dalton transactions (Cambridge, England : 2003)","2016","45","48","19399","19407","10.1039/c6dt03722d","","","0.71073","MoKα","","0.1146","0.1107","","","0.2919","0.2937","","","","","","1.162","","","","has coordinates","190136","2020-10-21","18:00:00",""
"7041175","16.0679","0.0006","8.9042","0.0004","17.2884","0.0005","90","","103.574","0.003","90","","2404.39","0.16","200","2","200","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C18 H29 Co I2 N4 P -","- C18 H29 Co I2 N4 P -","- C72 H116 Co4 I8 N16 P4 -","4","1","","Gong, Dirong; Zhang, Xuequan; Huang, Kuo-Wei","Regio- and stereo-selective polymerization of 1,3-butadiene catalyzed by phosphorus-nitrogen PN(3)-pincer cobalt(ii) complexes.","Dalton transactions (Cambridge, England : 2003)","2016","45","48","19399","19407","10.1039/c6dt03722d","","","0.71073","MoKα","","0.0559","0.0362","","","0.0768","0.0879","","","","","","1.056","","","","has coordinates","190136","2020-10-21","18:00:00",""
"7041176","11.5226","0.0007","12.051","0.0006","19.2018","0.0009","90","","90","","90","","2666.3","0.2","200","2","200","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C22 H37 Br2 Co N4 P -","- C22 H37 Br2 Co N4 P -","- C88 H148 Br8 Co4 N16 P4 -","4","1","","Gong, Dirong; Zhang, Xuequan; Huang, Kuo-Wei","Regio- and stereo-selective polymerization of 1,3-butadiene catalyzed by phosphorus-nitrogen PN(3)-pincer cobalt(ii) complexes.","Dalton transactions (Cambridge, England : 2003)","2016","45","48","19399","19407","10.1039/c6dt03722d","","","0.71073","MoKα","","0.0567","0.0442","","","0.0927","0.0991","","","","","","1.006","","","","has coordinates","190136","2020-10-21","18:00:00",""
"7041177","20.2864","0.0003","20.2864","0.0003","36.4947","0.0009","90","","90","","90","","15019","0.5","113","2","113","2","","","","","","","","6","I 41 c d","I 4bw -2c","110","Compound 7","Compound 7","","- C68 H88 F24 N2 O6 Sn2 -","- C68 H88 F24 N2 O6 Sn2 -","- C544 H704 F192 N16 O48 Sn16 -","8","0.5","","Tsukada, Satoru; O'Brien, Nathan J; Kano, Naokazu; Kawashima, Takayuki; Guo, Jing-Dong; Nagase, Shigeru","The synthesis and structure of a dianionic species with a bond between pentacoordinated tin atoms: bonding properties of the tin-tin bond.","Dalton transactions (Cambridge, England : 2003)","2016","45","48","19374","19379","10.1039/c6dt03503e","","","0.7107","MoKα","","0.0795","0.0784","","","0.2323","0.2334","","","","","","1.061","","","","has coordinates","190137","2020-10-21","18:00:00",""
"7041180","10.0391","0.0013","16.249","0.002","18.799","0.002","90","","99.547","0.002","90","","3024.1","0.6","296","2","296","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C37 H26 F4 Ir N3 O -","- C37 H26 F4 Ir N3 O -","- C148 H104 F16 Ir4 N12 O4 -","4","2","","Li, Tian-Yi; Zheng, You-Xuan; Zhou, Yong-Hui","Iridium(iii) phosphorescent complexes with dual stereogenic centers: single crystal, electronic circular dichroism evidence and circularly polarized luminescence properties.","Dalton transactions (Cambridge, England : 2003)","2016","45","48","19234","19237","10.1039/c6dt04030f","","","0.71073","MoKα","","0.0964","0.0505","","","0.0832","0.0967","","","","","","0.996","","","","has coordinates","190126","2020-10-21","18:00:00",""
"7041181","9.8067","0.0009","12.3224","0.0011","27.064","0.002","90","","90","","90","","3270.5","0.5","296","2","296","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C37 H26 F4 Ir N3 O -","- C37 H26 F4 Ir N3 O -","- C148 H104 F16 Ir4 N12 O4 -","4","1","","Li, Tian-Yi; Zheng, You-Xuan; Zhou, Yong-Hui","Iridium(iii) phosphorescent complexes with dual stereogenic centers: single crystal, electronic circular dichroism evidence and circularly polarized luminescence properties.","Dalton transactions (Cambridge, England : 2003)","2016","45","48","19234","19237","10.1039/c6dt04030f","","","0.71073","MoKα","","0.0379","0.0328","","","0.0792","0.0812","","","","","","1.041","","","","has coordinates","190126","2020-10-21","18:00:00",""
"7041182","9.696","0.004","12.172","0.005","26.736","0.012","90","","90","","90","","3155","2","296","2","296","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C37 H26 F4 Ir N3 O -","- C37 H26 F4 Ir N3 O -","- C148 H104 F16 Ir4 N12 O4 -","4","1","","Li, Tian-Yi; Zheng, You-Xuan; Zhou, Yong-Hui","Iridium(iii) phosphorescent complexes with dual stereogenic centers: single crystal, electronic circular dichroism evidence and circularly polarized luminescence properties.","Dalton transactions (Cambridge, England : 2003)","2016","45","48","19234","19237","10.1039/c6dt04030f","","","0.71073","MoKα","","0.0665","0.0536","","","0.1354","0.1493","","","","","","1.088","","","","has coordinates","190126","2020-10-21","18:00:00",""
"7041183","10.1586","0.0004","16.4188","0.0007","18.953","0.0008","90","","99.382","0.001","90","","3118.9","0.2","296","2","296","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C37 H26 F4 Ir N3 O -","- C37 H26 F4 Ir N3 O -","- C148 H104 F16 Ir4 N12 O4 -","4","2","","Li, Tian-Yi; Zheng, You-Xuan; Zhou, Yong-Hui","Iridium(iii) phosphorescent complexes with dual stereogenic centers: single crystal, electronic circular dichroism evidence and circularly polarized luminescence properties.","Dalton transactions (Cambridge, England : 2003)","2016","45","48","19234","19237","10.1039/c6dt04030f","","","0.71073","MoKα","","0.0226","0.02","","","0.045","0.0486","","","","","","0.89","","","","has coordinates","190126","2020-10-21","18:00:00",""
"7041184","16.0736","0.0009","15.5696","0.0006","16.6456","0.0008","90","","116.71","0.007","90","","3721.2","0.4","100.1","0.4","100.1","0.4","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C70 H81 Cl8 F7 N6 O4 Ru2 -","- C70 H81 Cl8 F7 N6 O4 Ru2 -","- C140 H162 Cl16 F14 N12 O8 Ru4 -","2","0.5","","Duan, Yulian; Wang, Tao; Xie, Qingxiao; Yu, Xiaobo; Guo, Weijie; Wang, Jianhui; Liu, Guiyan","Highly efficient nitrogen chelated ruthenium carbene metathesis catalysts.","Dalton transactions (Cambridge, England : 2003)","2016","45","48","19441","19448","10.1039/c6dt03899a","","x-ray","1.54184","CuKα","","0.0688","0.05","","","0.1181","0.1276","","","","","","0.994","","","","has coordinates,has disorder","190127","2020-10-21","18:00:00",""
"7041185","10.7065","0.0002","11.5683","0.0008","16.2976","0.0005","87.146","0.003","83.941","0.002","64.082","0.004","1805.37","0.15","223","2","223","2","","","","","","","","6","P -1","-P 1","2","","","","- C33 H29 B F10 I P -","- C33 H29 B F10 I P -","- C66 H58 B2 F20 I2 P2 -","2","1","","Frömel, Silke; Daniliuc, Constantin G.; Bannwarth, Christoph; Grimme, Stefan; Bussmann, Kathrin; Kehr, Gerald; Erker, Gerhard","Indirect synthesis of a pair of formal methane activation products at a phosphane/borane frustrated Lewis pair.","Dalton transactions (Cambridge, England : 2003)","2016","45","48","19230","19233","10.1039/c6dt04206f","","","1.54178","CuKα","","0.0357","0.0349","","","0.0939","0.0945","","","","","","1.055","","","","has coordinates","190128","2020-10-21","18:00:00",""
"7041186","13.8025","0.0002","13.677","0.0002","16.4268","0.0003","90","","98.949","0.001","90","","3063.25","0.08","223","2","223","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C33 H30 B F10 P -","- C33 H30 B F10 P -","- C132 H120 B4 F40 P4 -","4","1","","Frömel, Silke; Daniliuc, Constantin G.; Bannwarth, Christoph; Grimme, Stefan; Bussmann, Kathrin; Kehr, Gerald; Erker, Gerhard","Indirect synthesis of a pair of formal methane activation products at a phosphane/borane frustrated Lewis pair.","Dalton transactions (Cambridge, England : 2003)","2016","45","48","19230","19233","10.1039/c6dt04206f","","","0.71073","MoKα","","0.0768","0.0586","","","0.1283","0.1414","","","","","","1.095","","","","has coordinates","190128","2020-10-21","18:00:00",""
"7041187","11.7033","0.0002","14.0272","0.0003","18.5652","0.0006","90","","92.943","0.001","90","","3043.73","0.13","223","2","223","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C33 H30 B F10 P -","- C33 H30 B F10 P -","- C132 H120 B4 F40 P4 -","4","1","","Frömel, Silke; Daniliuc, Constantin G.; Bannwarth, Christoph; Grimme, Stefan; Bussmann, Kathrin; Kehr, Gerald; Erker, Gerhard","Indirect synthesis of a pair of formal methane activation products at a phosphane/borane frustrated Lewis pair.","Dalton transactions (Cambridge, England : 2003)","2016","45","48","19230","19233","10.1039/c6dt04206f","","","0.71073","MoKα","","0.1748","0.0953","","","0.1416","0.1697","","","","","","1.129","","","","has coordinates","190128","2020-10-21","18:00:00",""
"7041188","13.0471","0.001","13.591","0.001","14.679","0.001","90","","106.341","0.001","90","","2497.8","0.3","300","2","300","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C18 H0 Br2 Co N10 O2.5 W -","- C18 Br2 Co N10 O2.5 W -","- C72 Br8 Co4 N40 O10 W4 -","4","1","","Miyamoto, Y.; Nasu, T.; Ozaki, N.; Umeta, Y.; Tokoro, H.; Nakabayashi, K.; Ohkoshi, S.","Photo-induced magnetization and first-principles calculations of a two-dimensional cyanide-bridged Co-W bimetal assembly.","Dalton transactions (Cambridge, England : 2003)","2016","45","48","19249","19256","10.1039/c6dt03793c","","","0.6889","synchrotron","","0.065","0.0476","","","0.13","0.1486","","","","","","1.117","","","","has coordinates,has disorder","190138","2020-10-21","18:00:00",""
"7041189","13.193","0.01","13.949","0.011","15.04","0.012","90","","107.35","0.09","90","","2642","4","13","","13","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","Photo-induced phase","","","- C18 Br2 Co N10 O2 W -","- C18 Br2 Co N10 O2 W -","- C72 Br8 Co4 N40 O8 W4 -","4","1","","Miyamoto, Y.; Nasu, T.; Ozaki, N.; Umeta, Y.; Tokoro, H.; Nakabayashi, K.; Ohkoshi, S.","Photo-induced magnetization and first-principles calculations of a two-dimensional cyanide-bridged Co-W bimetal assembly.","Dalton transactions (Cambridge, England : 2003)","2016","45","48","19249","19256","10.1039/c6dt03793c","powder diffraction","","1.54059","CuKα~1~","","","","","","","","","","1.1814","","","","","","","has coordinates","190138","2020-10-21","18:00:00",""
"7041190","14.121","0.002","16.258","0.002","22.776","0.003","90.576","0.002","102.133","0.002","102.622","0.002","4980","1.1","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C84 H88 Co10 O57 P6 -","- C84 H88 Co10 O57 P6 -","- C168 H176 Co20 O114 P12 -","2","1","","Wang, Zhao-Xi; Wu, Lin-Fei; Zhang, Xuan; Xing, Feifei; Li, Ming-Xing","Structural diversity and magnetic properties of six cobalt coordination polymers based on 2,2'-phosphinico-dibenzoate ligand.","Dalton transactions (Cambridge, England : 2003)","2016","45","48","19500","19510","10.1039/c6dt04010a","","","0.71073","MoKα","","0.0555","0.0435","","","0.0894","0.0987","","","","","","1.06","","","","has coordinates","190141","2020-10-21","18:00:00",""
"7041191","18.675","0.002","7.5275","0.0009","19.503","0.002","90","","105.574","0.002","90","","2641","0.5","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C52 H44 Co3 N12 O16 P2 -","- C52 H44 Co3 N12 O16 P2 -","- C104 H88 Co6 N24 O32 P4 -","2","0.5","","Wang, Zhao-Xi; Wu, Lin-Fei; Zhang, Xuan; Xing, Feifei; Li, Ming-Xing","Structural diversity and magnetic properties of six cobalt coordination polymers based on 2,2'-phosphinico-dibenzoate ligand.","Dalton transactions (Cambridge, England : 2003)","2016","45","48","19500","19510","10.1039/c6dt04010a","","","0.71073","MoKα","","0.0706","0.053","","","0.1253","0.1368","","","","","","1.072","","","","has coordinates","190141","2020-10-21","18:00:00",""
"7041192","8.7104","0.0008","10.8665","0.001","12.3415","0.0012","90.254","0.001","100.299","0.001","97.794","0.001","1138.21","0.18","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C42 H44 Co3 N4 O18 P2 -","- C42 H44 Co3 N4 O18 P2 -","- C42 H44 Co3 N4 O18 P2 -","1","0.5","","Wang, Zhao-Xi; Wu, Lin-Fei; Zhang, Xuan; Xing, Feifei; Li, Ming-Xing","Structural diversity and magnetic properties of six cobalt coordination polymers based on 2,2'-phosphinico-dibenzoate ligand.","Dalton transactions (Cambridge, England : 2003)","2016","45","48","19500","19510","10.1039/c6dt04010a","","","0.71073","MoKα","","0.0451","0.038","","","0.0901","0.0937","","","","","","1.086","","","","has coordinates","190141","2020-10-21","18:00:00",""
"7041193","8.487","0.002","10.895","0.003","11.6","0.003","88.537","0.004","87.703","0.004","87.082","0.004","1070.1","0.5","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C42 H38 Co3 N4 O16 P2 -","- C42 H38 Co3 N4 O16 P2 -","- C42 H38 Co3 N4 O16 P2 -","1","0.5","","Wang, Zhao-Xi; Wu, Lin-Fei; Zhang, Xuan; Xing, Feifei; Li, Ming-Xing","Structural diversity and magnetic properties of six cobalt coordination polymers based on 2,2'-phosphinico-dibenzoate ligand.","Dalton transactions (Cambridge, England : 2003)","2016","45","48","19500","19510","10.1039/c6dt04010a","","","0.71073","MoKα","","0.0261","0.0239","","","0.0777","0.0974","","","","","","1.094","","","","has coordinates","190141","2020-10-21","18:00:00",""
"7041194","29.097","0.004","11.4061","0.0014","14.5739","0.0018","90","","118.726","0.001","90","","4241.6","0.9","110","2","110","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C48 H32 Co3 N4 O12 P2 -","- C48 H32 Co3 N4 O12 P2 -","- C192 H128 Co12 N16 O48 P8 -","4","0.5","","Wang, Zhao-Xi; Wu, Lin-Fei; Zhang, Xuan; Xing, Feifei; Li, Ming-Xing","Structural diversity and magnetic properties of six cobalt coordination polymers based on 2,2'-phosphinico-dibenzoate ligand.","Dalton transactions (Cambridge, England : 2003)","2016","45","48","19500","19510","10.1039/c6dt04010a","","","0.71073","MoKα","","0.0391","0.0314","","","0.0689","0.0709","","","","","","1.015","","","","has coordinates","190141","2020-10-21","18:00:00",""
"7041195","7.45","0.0007","14.481","0.0014","19.8029","0.0019","90","","96.941","0.001","90","","2120.7","0.4","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C40 H30 Co5 N2 O20 P2 -","- C40 H30 Co5 N2 O20 P2 -","- C80 H60 Co10 N4 O40 P4 -","2","0.5","","Wang, Zhao-Xi; Wu, Lin-Fei; Zhang, Xuan; Xing, Feifei; Li, Ming-Xing","Structural diversity and magnetic properties of six cobalt coordination polymers based on 2,2'-phosphinico-dibenzoate ligand.","Dalton transactions (Cambridge, England : 2003)","2016","45","48","19500","19510","10.1039/c6dt04010a","","","0.71073","MoKα","","0.0371","0.0277","","","0.0613","0.065","","","","","","1.054","","","","has coordinates","190141","2020-10-21","18:00:00",""
"7041196","10.8656","0.0004","7.8537","0.0003","18.202","0.0006","90","","90","","90","","1553.27","0.1","113","","113","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C16 H18 N4 O2 Pt -","- C16 H18 N4 O2 Pt -","- C64 H72 N16 O8 Pt4 -","4","0.5","","Hashimoto, Takumi; Fukumoto, Kanako; Le, Ngoc Ha-Thu; Matsuoka, Tatsuya; Kawamorita, Soichiro; Komiya, Naruyoshi; Naota, Takeshi","Dynamic neighbouring participation of nitrogen lone pairs on the chromogenic behaviour of trans-bis(salicylaldiminato)Pt(ii) coordination platforms.","Dalton transactions (Cambridge, England : 2003)","2016","45","48","19257","19268","10.1039/c6dt04005e","","","0.71075","MoKα","","0.0236","0.0198","","","0.0485","0.0503","","","","","","1.186","","","","has coordinates","190142","2020-10-21","18:00:00",""
"7041197","8.0049","0.0003","7.4611","0.0003","16.1764","0.0007","90","","102.35","0.0013","90","","943.79","0.07","113","","113","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H22 N4 O4 Pt -","- C18 H22 N4 O4 Pt -","- C36 H44 N8 O8 Pt2 -","2","0.5","","Hashimoto, Takumi; Fukumoto, Kanako; Le, Ngoc Ha-Thu; Matsuoka, Tatsuya; Kawamorita, Soichiro; Komiya, Naruyoshi; Naota, Takeshi","Dynamic neighbouring participation of nitrogen lone pairs on the chromogenic behaviour of trans-bis(salicylaldiminato)Pt(ii) coordination platforms.","Dalton transactions (Cambridge, England : 2003)","2016","45","48","19257","19268","10.1039/c6dt04005e","","","0.71075","MoKα","","","0.0369","","","","0.0992","","","","","","1.076","","","","has coordinates","190142","2020-10-21","18:00:00",""
"7041198","12.3758","","8.613","","16.9067","","90","","90","","90","","1802.13","","113","","113","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C18 H22 N4 O2 Pt -","- C18 H22 N4 O2 Pt -","- C72 H88 N16 O8 Pt4 -","4","0.5","","Hashimoto, Takumi; Fukumoto, Kanako; Le, Ngoc Ha-Thu; Matsuoka, Tatsuya; Kawamorita, Soichiro; Komiya, Naruyoshi; Naota, Takeshi","Dynamic neighbouring participation of nitrogen lone pairs on the chromogenic behaviour of trans-bis(salicylaldiminato)Pt(ii) coordination platforms.","Dalton transactions (Cambridge, England : 2003)","2016","45","48","19257","19268","10.1039/c6dt04005e","","","0.71075","MoKα","","0.087","0.0646","","","0.1833","0.2098","","","","","","1.253","","","","has coordinates","190142","2020-10-21","18:00:00",""
"7041199","16.814","0.005","16.814","0.005","14.083","0.004","90","","90","","90","","3981","2","113","","113","","","","","","","","","5","I 41/a :2","-I 4ad","88","","","","- C20 H26 N4 O4 Pt -","- C20 H26 N4 O4 Pt -","- C160 H208 N32 O32 Pt8 -","8","0.5","","Hashimoto, Takumi; Fukumoto, Kanako; Le, Ngoc Ha-Thu; Matsuoka, Tatsuya; Kawamorita, Soichiro; Komiya, Naruyoshi; Naota, Takeshi","Dynamic neighbouring participation of nitrogen lone pairs on the chromogenic behaviour of trans-bis(salicylaldiminato)Pt(ii) coordination platforms.","Dalton transactions (Cambridge, England : 2003)","2016","45","48","19257","19268","10.1039/c6dt04005e","","","0.71075","MoKα","","","0.0199","","","","0.0632","","","","","","1.273","","","","has coordinates","190142","2020-10-21","18:00:00",""
"7041200","19.267","0.003","8.0479","0.0012","16.571","0.003","90","","115.039","0.003","90","","2328","0.7","273","","273","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C24 H32 N4 O2 Pt -","- C24 H32 N4 O2 Pt -","- C96 H128 N16 O8 Pt4 -","4","0.5","","Hashimoto, Takumi; Fukumoto, Kanako; Le, Ngoc Ha-Thu; Matsuoka, Tatsuya; Kawamorita, Soichiro; Komiya, Naruyoshi; Naota, Takeshi","Dynamic neighbouring participation of nitrogen lone pairs on the chromogenic behaviour of trans-bis(salicylaldiminato)Pt(ii) coordination platforms.","Dalton transactions (Cambridge, England : 2003)","2016","45","48","19257","19268","10.1039/c6dt04005e","","","0.71075","MoKα","","0.0272","0.0242","","","0.0494","0.0503","","","","","","1.03","","","","has coordinates","190142","2020-10-21","18:00:00",""
"7041201","18.991","0.016","12.924","0.01","22.429","0.019","90","","114.575","0.013","90","","5006","7","113","","113","","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C26 H36 N4 O2 Pt -","- C26 H36 N4 O2 Pt -","- C208 H288 N32 O16 Pt8 -","8","1","","Hashimoto, Takumi; Fukumoto, Kanako; Le, Ngoc Ha-Thu; Matsuoka, Tatsuya; Kawamorita, Soichiro; Komiya, Naruyoshi; Naota, Takeshi","Dynamic neighbouring participation of nitrogen lone pairs on the chromogenic behaviour of trans-bis(salicylaldiminato)Pt(ii) coordination platforms.","Dalton transactions (Cambridge, England : 2003)","2016","45","48","19257","19268","10.1039/c6dt04005e","","","0.71075","MoKα","","0.1511","0.1106","","","0.2027","0.2335","","","","","","1.129","","","","has coordinates","190142","2020-10-21","18:00:00",""
"7041202","10.6527","0.0016","18.415","0.002","14.174","0.002","90","","101.825","0.003","90","","2721.5","0.6","273","","273","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C28 H40 N4 O2 Pt -","- C28 H40 N4 O2 Pt -","- C112 H160 N16 O8 Pt4 -","4","2","","Hashimoto, Takumi; Fukumoto, Kanako; Le, Ngoc Ha-Thu; Matsuoka, Tatsuya; Kawamorita, Soichiro; Komiya, Naruyoshi; Naota, Takeshi","Dynamic neighbouring participation of nitrogen lone pairs on the chromogenic behaviour of trans-bis(salicylaldiminato)Pt(ii) coordination platforms.","Dalton transactions (Cambridge, England : 2003)","2016","45","48","19257","19268","10.1039/c6dt04005e","","","0.71075","MoKα","","0.0782","0.0512","","","0.0735","0.0803","","","","","","1.013","","","","has coordinates","190142","2020-10-21","18:00:00",""
"7041203","10.3203","0.0007","11.7949","0.0008","11.5472","0.0007","90","","105.129","0.002","90","","1356.89","0.15","153","2","153","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C9 H15 Gd N O11 -","- C9 H15 Gd N O11 -","- C36 H60 Gd4 N4 O44 -","4","1","","Akhtar, Muhammad Nadeem; Chen, Yan-Cong; AlDamen, Murad A.; Tong, Ming-Liang","3D oxalato-bridged lanthanide(iii) MOFs with magnetocaloric, magnetic and photoluminescence properties.","Dalton transactions (Cambridge, England : 2003)","2016","46","1","116","124","10.1039/c6dt03843c","","","0.71075","MoKα","","0.0397","0.0353","","","0.0824","0.0844","","","","","","1.044","","","","has coordinates","191686","2020-10-21","18:00:00",""
"7041204","10.2803","0.0003","11.7237","0.0004","11.4883","0.0004","90","","104.765","0.001","90","","1338.89","0.08","120","2","120","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C9 H15 N O11 Tb -","- C9 H15 N O11 Tb -","- C36 H60 N4 O44 Tb4 -","4","1","","Akhtar, Muhammad Nadeem; Chen, Yan-Cong; AlDamen, Murad A.; Tong, Ming-Liang","3D oxalato-bridged lanthanide(iii) MOFs with magnetocaloric, magnetic and photoluminescence properties.","Dalton transactions (Cambridge, England : 2003)","2016","46","1","116","124","10.1039/c6dt03843c","","","0.71073","MoKα","","0.02","0.0185","","","0.0451","0.0456","","","","","","1.112","","","","has coordinates","191686","2020-10-21","18:00:00",""
"7041205","10.2355","0.0004","11.709","0.0004","11.4476","0.0004","90","","104.393","0.001","90","","1328.9","0.08","137","2","136.99","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C9 H15 Dy N O11 -","- C9 H15 Dy N O11 -","- C36 H60 Dy4 N4 O44 -","4","1","","Akhtar, Muhammad Nadeem; Chen, Yan-Cong; AlDamen, Murad A.; Tong, Ming-Liang","3D oxalato-bridged lanthanide(iii) MOFs with magnetocaloric, magnetic and photoluminescence properties.","Dalton transactions (Cambridge, England : 2003)","2016","46","1","116","124","10.1039/c6dt03843c","","","0.71073","MoKα","","0.0161","0.0156","","","0.0398","0.04","","","","","","1.12","","","","has coordinates","191686","2020-10-21","18:00:00",""
"7041206","10.2074","0.0004","11.6791","0.0004","11.4238","0.0005","90","","104.246","0.001","90","","1319.99","0.09","120","2","120","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C9 H15 Ho N O11 -","- C9 H15 Ho N O11 -","- C36 H60 Ho4 N4 O44 -","4","1","","Akhtar, Muhammad Nadeem; Chen, Yan-Cong; AlDamen, Murad A.; Tong, Ming-Liang","3D oxalato-bridged lanthanide(iii) MOFs with magnetocaloric, magnetic and photoluminescence properties.","Dalton transactions (Cambridge, England : 2003)","2016","46","1","116","124","10.1039/c6dt03843c","","","0.71073","MoKα","","0.0271","0.021","","","0.0433","0.0447","","","","","","1.08","","","","has coordinates","191686","2020-10-21","18:00:00",""
"7041207","6.6872","0.0006","7.7098","0.0007","25.388","0.002","92.47","0.001","94.337","0.002","95.214","0.002","1298.13","0.19","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","7-Chloro-4-[2-(N'-substituted aminomethyl)-N-ferrocenylmethyl-(aminopropyl)trimethylsilane]quinoline","","- C27 H34 Cl Fe N3 Si -","- C27 H34 Cl Fe N3 Si -","- C54 H68 Cl2 Fe2 N6 Si2 -","2","1","","Adams, Muneebah; Stringer, Tameryn; de Kock, Carmen; Smith, Peter J.; Land, Kirkwood M.; Liu, Nicole; Tam, Christina; Cheng, Luisa W.; Njoroge, Mathew; Chibale, Kelly; Smith, Gregory S.","Bioisosteric ferrocenyl-containing quinolines with antiplasmodial and antitrichomonal properties.","Dalton transactions (Cambridge, England : 2003)","2016","45","47","19086","19095","10.1039/c6dt03175g","","","0.71073","MoKα","","0.0412","0.0339","","","0.0778","0.0809","","","","","","1.027","","","","has coordinates","190200","2020-10-21","18:00:00",""
"7041208","8.6284","0.0012","10.9159","0.0015","26.353","0.004","83.68","0.003","84.639","0.003","73.336","0.003","2358.4","0.6","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","7-Chloro-4-[2-(N'-substituted aminomethyl)-N-ferrocenylmethyl-(amino-2,2?-dimethylpropyl)]quinoline","","- C26 H30 Cl Fe N3 -","- C26 H30 Cl Fe N3 -","- C104 H120 Cl4 Fe4 N12 -","4","2","","Adams, Muneebah; Stringer, Tameryn; de Kock, Carmen; Smith, Peter J.; Land, Kirkwood M.; Liu, Nicole; Tam, Christina; Cheng, Luisa W.; Njoroge, Mathew; Chibale, Kelly; Smith, Gregory S.","Bioisosteric ferrocenyl-containing quinolines with antiplasmodial and antitrichomonal properties.","Dalton transactions (Cambridge, England : 2003)","2016","45","47","19086","19095","10.1039/c6dt03175g","","","0.71073","MoKα","","0.075","0.0413","","","0.0786","0.0903","","","","","","1.026","","","","has coordinates","190200","2020-10-21","18:00:00",""
"7041209","17.664","0.004","21.948","0.004","26.612","0.005","90","","90","","90","","10317","4","170","2","170","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C57 H80 Cl P Si -","- C57 H80 Cl P Si -","- C456 H640 Cl8 P8 Si8 -","8","1","","Dhara, Debabrata; Mandal, Debdeep; Maiti, Avijit; Yildiz, Cem B.; Kalita, Pankaj; Chrysochos, Nicolas; Schulzke, Carola; Chandrasekhar, Vadapalli; Jana, Anukul","Assembly of NHC-stabilized 2-hydrophosphasilenes from Si(iv) precursors: a Lewis acid-base complex.","Dalton transactions (Cambridge, England : 2003)","2016","45","48","19290","19298","10.1039/c6dt04321f","","","0.71073","MoKα","","0.0788","0.0405","","","0.0895","0.1041","","","","","","0.785","","","","has coordinates","190124","2020-10-21","18:00:00",""
"7041210","20.327","0.004","14.765","0.003","21.81","0.004","90","","106.508","0.01","90","","6276","2","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C70 H97 N2 P Si -","- C70 H97 N2 P Si -","- C280 H388 N8 P4 Si4 -","4","1","","Dhara, Debabrata; Mandal, Debdeep; Maiti, Avijit; Yildiz, Cem B.; Kalita, Pankaj; Chrysochos, Nicolas; Schulzke, Carola; Chandrasekhar, Vadapalli; Jana, Anukul","Assembly of NHC-stabilized 2-hydrophosphasilenes from Si(iv) precursors: a Lewis acid-base complex.","Dalton transactions (Cambridge, England : 2003)","2016","45","48","19290","19298","10.1039/c6dt04321f","","x-ray","0.71073","MoKα","","0.1077","0.0569","","","0.1262","0.1478","","","","","","1.028","","","","has coordinates","211178","2020-10-21","18:00:00",""
"7041211","11.1019","0.0007","11.4751","0.0008","14.0486","0.0009","77.964","0.001","81.101","0.001","89.971","0.001","1728.4","0.2","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C36 H27 F3 N2 O2 P2 Pt -","- C36 H27 F3 N2 O2 P2 Pt -","- C72 H54 F6 N4 O4 P4 Pt2 -","2","1","","Lu, Guang-Zhao; Li, Yan; Jing, Yi-Ming; Zheng, You-Xuan","Syntheses, photoluminescence and electroluminescence of two novel platinum(ii) complexes.","Dalton transactions (Cambridge, England : 2003)","2016","46","1","150","157","10.1039/c6dt03991j","","","0.71073","MoKα","","0.0587","0.0572","","","0.1459","0.1479","","","","","","0.84","","","","has coordinates","191682","2020-10-21","18:00:00",""
"7041212","13.6958","0.0014","11.3423","0.0012","21.827","0.002","90","","94.556","0.002","90","","3379.9","0.6","296","2","296","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C36 H23 F7 N2 O2 P2 Pt -","- C36 H23 F7 N2 O2 P2 Pt -","- C144 H92 F28 N8 O8 P8 Pt4 -","4","1","","Lu, Guang-Zhao; Li, Yan; Jing, Yi-Ming; Zheng, You-Xuan","Syntheses, photoluminescence and electroluminescence of two novel platinum(ii) complexes.","Dalton transactions (Cambridge, England : 2003)","2016","46","1","150","157","10.1039/c6dt03991j","","","0.71073","MoKα","","0.0474","0.0382","","","0.0972","0.1031","","","","","","1.012","","","","has coordinates","191682","2020-10-21","18:00:00",""
"7041213","6.088","0.002","7.77","0.002","27.688","0.008","84.223","0.004","87.12","0.004","89.905","0.002","1301.4","0.7","296","2","296","2","","","","","","","","3","P -1","-P 1","2","","","","- C17 H14 N2 -","- C17 H14 N2 -","- C68 H56 N8 -","4","2","","Wang, Ani; Fan, Ruiqing; Dong, Yuwei; Chen, Wei; Song, Yang; Wang, Ping; Hao, Sue; Liu, Zhigang; Yang, Yulin","(E)-4-Methyl-N-((quinolin-2-yl)ethylidene)aniline as ligand for IIB supramolecular complexes: synthesis, structure, aggregation-induced emission enhancement and application in PMMA-doped hybrid material.","Dalton transactions (Cambridge, England : 2003)","2016","46","1","71","85","10.1039/c6dt03853k","","","0.71073","MoKα","","0.0839","0.0666","","","0.2133","0.2242","","","","","","1.099","","","","has coordinates","191679","2020-10-21","18:00:00",""
"7041214","7.635","0.003","13.215","0.01","15.956","0.008","90","","95.23","0.04","90","","1603.2","1.6","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C17 H14 Cl2 N2 Zn -","- C17 H14 Cl2 N2 Zn -","- C68 H56 Cl8 N8 Zn4 -","4","1","","Wang, Ani; Fan, Ruiqing; Dong, Yuwei; Chen, Wei; Song, Yang; Wang, Ping; Hao, Sue; Liu, Zhigang; Yang, Yulin","(E)-4-Methyl-N-((quinolin-2-yl)ethylidene)aniline as ligand for IIB supramolecular complexes: synthesis, structure, aggregation-induced emission enhancement and application in PMMA-doped hybrid material.","Dalton transactions (Cambridge, England : 2003)","2016","46","1","71","85","10.1039/c6dt03853k","","","0.71073","MoKα","","0.048","0.0365","","","0.15453","0.16819","","","","","","1.051","","","","has coordinates","191679","2020-10-21","18:00:00",""
"7041215","9.9019","0.0016","10.1635","0.0017","11.2566","0.0019","64.866","0.002","65.559","0.002","64.576","0.002","888.4","0.3","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C17 H14 N4 O6 Zn -","- C17 H14 N4 O6 Zn -","- C34 H28 N8 O12 Zn2 -","2","1","","Wang, Ani; Fan, Ruiqing; Dong, Yuwei; Chen, Wei; Song, Yang; Wang, Ping; Hao, Sue; Liu, Zhigang; Yang, Yulin","(E)-4-Methyl-N-((quinolin-2-yl)ethylidene)aniline as ligand for IIB supramolecular complexes: synthesis, structure, aggregation-induced emission enhancement and application in PMMA-doped hybrid material.","Dalton transactions (Cambridge, England : 2003)","2016","46","1","71","85","10.1039/c6dt03853k","","","0.71073","MoKα","","0.0428","0.0386","","","0.1309","0.1344","","","","","","1.159","","","","has coordinates","191679","2020-10-21","18:00:00",""
"7041216","20.6277","0.0007","13.78","0.0004","27.5778","0.001","90","","131.704","0.002","90","","5852.5","0.4","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C21 H20 N2 O4 Zn -","- C21 H20 N2 O4 Zn -","- C252 H240 N24 O48 Zn12 -","12","3","","Wang, Ani; Fan, Ruiqing; Dong, Yuwei; Chen, Wei; Song, Yang; Wang, Ping; Hao, Sue; Liu, Zhigang; Yang, Yulin","(E)-4-Methyl-N-((quinolin-2-yl)ethylidene)aniline as ligand for IIB supramolecular complexes: synthesis, structure, aggregation-induced emission enhancement and application in PMMA-doped hybrid material.","Dalton transactions (Cambridge, England : 2003)","2016","46","1","71","85","10.1039/c6dt03853k","","","0.71073","MoKα","","0.1266","0.0676","","","0.1752","0.2147","","","","","","1.107","","","","has coordinates","202518","2020-10-21","18:00:00",""
"7041217","20.8054","0.0012","13.7431","0.0008","27.765","0.0012","90","","131.796","0.003","90","","5918.6","0.6","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C21 H20 Cd N2 O4 -","- C21 H20 Cd N2 O4 -","- C252 H240 Cd12 N24 O48 -","12","3","","Wang, Ani; Fan, Ruiqing; Dong, Yuwei; Chen, Wei; Song, Yang; Wang, Ping; Hao, Sue; Liu, Zhigang; Yang, Yulin","(E)-4-Methyl-N-((quinolin-2-yl)ethylidene)aniline as ligand for IIB supramolecular complexes: synthesis, structure, aggregation-induced emission enhancement and application in PMMA-doped hybrid material.","Dalton transactions (Cambridge, England : 2003)","2016","46","1","71","85","10.1039/c6dt03853k","","","0.71073","MoKα","","0.1346","0.0487","","","0.0929","0.147","","","","","","0.98","","","","has coordinates","202518","2020-10-21","18:00:00",""
"7041218","7.763","0.002","19.036","0.005","11.243","0.003","90","","90.374","0.005","90","","1661.4","0.8","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C17 H14 Cl2 Hg N2 -","- C17 H14 Cl2 Hg N2 -","- C68 H56 Cl8 Hg4 N8 -","4","1","","Wang, Ani; Fan, Ruiqing; Dong, Yuwei; Chen, Wei; Song, Yang; Wang, Ping; Hao, Sue; Liu, Zhigang; Yang, Yulin","(E)-4-Methyl-N-((quinolin-2-yl)ethylidene)aniline as ligand for IIB supramolecular complexes: synthesis, structure, aggregation-induced emission enhancement and application in PMMA-doped hybrid material.","Dalton transactions (Cambridge, England : 2003)","2016","46","1","71","85","10.1039/c6dt03853k","","","0.71073","MoKα","","0.0438","0.0316","","","0.0861","0.1112","","","","","","1.003","","","","has coordinates","191679","2020-10-21","18:00:00",""
"7041219","11.082","0.002","17.106","0.003","18.304","0.004","91.96","0.03","103.92","0.03","94.31","0.03","3353.5","1.2","150","2","150","2","","","","","","","","5","P -1","-P 1","2","Lanthanum(III) Diethylditiocarbamato-phenanthroline","tris(N,N-diethyldithiocarbamato)(1,10-phenanthroline)lanthanum(III)","","- C27 H38 La N5 S6 -","- C27 H38 La N5 S6 -","- C108 H152 La4 N20 S24 -","4","2","","Gowda, Vasantha; Laitinen, Risto S.; Telkki, Ville-Veikko; Larsson, Anna-Carin; Antzutkin, Oleg N.; Lantto, Perttu","DFT calculations in the assignment of solid-state NMR and crystal structure elucidation of a lanthanum(iii) complex with dithiocarbamate and phenanthroline.","Dalton transactions (Cambridge, England : 2003)","2016","45","48","19473","19484","10.1039/c6dt03705d","","","0.71073","MoKα","","0.0863","0.0683","","","0.165","0.1777","","","","","","1.094","","","","has coordinates,has disorder","190144","2020-10-21","18:00:00",""
"7041220","12.5539","0.0005","12.8514","0.0005","15.274","0.0005","66.242","0.004","67.419","0.004","62.385","0.004","1938.46","0.15","183","2","183","2","","","","","","","","6","P -1","-P 1","2","","","","- C40 H30 Br2 N4 O6 Ru -","- C40 H22 Br2 N4 O6 Ru -","- C80 H44 Br4 N8 O12 Ru2 -","2","1","","Scherrer, Dominik; Schilling, Mauro; Luber, Sandra; Fox, Thomas; Spingler, Bernhard; Alberto, Roger; Richmond, Craig J.","Ruthenium water oxidation catalysts containing the non-planar tetradentate ligand, biisoquinoline dicarboxylic acid (biqaH2).","Dalton transactions (Cambridge, England : 2003)","2016","45","48","19361","19367","10.1039/c6dt03880h","","","0.71073","MoKα","","0.065","0.0451","","","0.1116","0.124","","","","","","1.025","","","","has coordinates,has disorder","190129","2020-10-21","18:00:00",""
"7041221","11.8033","0.0003","16.02","0.0004","23.908","0.0006","90","","90","","90","","4520.7","0.2","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C58 H42 N4 O4 Ti -","- C58 H42 N4 O4 Ti -","- C232 H168 N16 O16 Ti4 -","4","1","","Khalil, Georges; Orvain, Christophe; Fang, Lu; Barloy, Laurent; Chaumont, Alain; Gaiddon, Christian; Henry, Marc; Kyritsakas, Nathalie; Mobian, Pierre","Monomeric Ti(iv)-based complexes incorporating luminescent nitrogen ligands: synthesis, structural characterization, emission spectroscopy and cytotoxic activities.","Dalton transactions (Cambridge, England : 2003)","2016","45","47","19072","19085","10.1039/c6dt03477b","","","0.71073","MoKα","","0.0618","0.0402","","","0.082","0.0917","","","","","","1.027","","","","has coordinates","190199","2020-10-21","18:00:00",""
"7041222","20.622","0.002","13.9118","0.0016","23.906","0.003","90","","96.372","0.004","90","","6816","1.3","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C165 H120 N8 O8 Ti2 -","- C165 H120 N8 O8 Ti2 -","- C330 H240 N16 O16 Ti4 -","2","0.5","","Khalil, Georges; Orvain, Christophe; Fang, Lu; Barloy, Laurent; Chaumont, Alain; Gaiddon, Christian; Henry, Marc; Kyritsakas, Nathalie; Mobian, Pierre","Monomeric Ti(iv)-based complexes incorporating luminescent nitrogen ligands: synthesis, structural characterization, emission spectroscopy and cytotoxic activities.","Dalton transactions (Cambridge, England : 2003)","2016","45","47","19072","19085","10.1039/c6dt03477b","","","0.71073","MoKα","","0.2594","0.1288","","","0.297","0.333","","","","","","1.137","","","","has coordinates","190199","2020-10-21","18:00:00",""
"7041223","21.6458","0.0009","18.2186","0.001","19.9733","0.0011","90","","112.479","0.002","90","","7278.1","0.7","173","2","173","2","","","","","","","","6","P 1 2/c 1","-P 2yc","13","","","","- C353 H241 Cl3 N16 O20 Ti4 -","- C353 H232 Cl3 N16 O20 Ti4 -","- C353 H232 Cl3 N16 O20 Ti4 -","1","0.25","","Khalil, Georges; Orvain, Christophe; Fang, Lu; Barloy, Laurent; Chaumont, Alain; Gaiddon, Christian; Henry, Marc; Kyritsakas, Nathalie; Mobian, Pierre","Monomeric Ti(iv)-based complexes incorporating luminescent nitrogen ligands: synthesis, structural characterization, emission spectroscopy and cytotoxic activities.","Dalton transactions (Cambridge, England : 2003)","2016","45","47","19072","19085","10.1039/c6dt03477b","","","0.71073","MoKα","","0.1491","0.0912","","","0.2751","0.3117","","","","","","1.051","","","","has coordinates","190199","2020-10-21","18:00:00",""
"7041224","13.5432","0.0003","14.0231","0.0004","29.0361","0.0008","90","","93.2494","0.0014","90","","5505.6","0.3","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C72 H50 N4 O4 Ti -","- C72 H50 N4 O4 Ti -","- C288 H200 N16 O16 Ti4 -","4","1","","Khalil, Georges; Orvain, Christophe; Fang, Lu; Barloy, Laurent; Chaumont, Alain; Gaiddon, Christian; Henry, Marc; Kyritsakas, Nathalie; Mobian, Pierre","Monomeric Ti(iv)-based complexes incorporating luminescent nitrogen ligands: synthesis, structural characterization, emission spectroscopy and cytotoxic activities.","Dalton transactions (Cambridge, England : 2003)","2016","45","47","19072","19085","10.1039/c6dt03477b","","","0.71073","MoKα","","0.1257","0.0606","","","0.1519","0.1947","","","","","","1.036","","","","has coordinates","190199","2020-10-21","18:00:00",""
"7041225","18.502","0.006","21.414","0.007","13.415","0.004","90","","95.006","0.004","90","","5295","3","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C30 H16 F6 N2 O4 Pd2 -","- C30 H16 F6 N2 O4 Pd2 -","- C240 H128 F48 N16 O32 Pd16 -","8","2","","Dudkina, Yulia B.; Kholin, Kirill V.; Gryaznova, Tatyana V.; Islamov, Daut R.; Kataeva, Olga N.; Rizvanov, Ildar Kh; Levitskaya, Alina I.; Fominykh, Olga D.; Balakina, Marina Yu; Sinyashin, Oleg G.; Budnikova, Yulia H.","Redox trends in cyclometalated palladium(ii) complexes.","Dalton transactions (Cambridge, England : 2003)","2016","46","1","165","177","10.1039/c6dt03786k","","x-ray","0.71073","MoKα","","0.038","0.0275","","","0.0599","0.0637","","","","","","0.986","","","","has coordinates","191684","2020-10-21","18:00:00",""
"7041226","26.848","0.001","12.1003","0.0007","22.879","0.001","90","","93.201","0.001","90","","7421.1","0.6","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C22 H14 F6 N4 O4 Pd2 -","- C22 H14 F6 N4 O4 Pd2 -","- C264 H168 F72 N48 O48 Pd24 -","12","3","","Dudkina, Yulia B.; Kholin, Kirill V.; Gryaznova, Tatyana V.; Islamov, Daut R.; Kataeva, Olga N.; Rizvanov, Ildar Kh; Levitskaya, Alina I.; Fominykh, Olga D.; Balakina, Marina Yu; Sinyashin, Oleg G.; Budnikova, Yulia H.","Redox trends in cyclometalated palladium(ii) complexes.","Dalton transactions (Cambridge, England : 2003)","2016","46","1","165","177","10.1039/c6dt03786k","","x-ray","0.71073","MoKα","","0.042","0.0296","","","0.0678","0.0737","","","","","","0.99","","","","has coordinates,has disorder","191684","2020-10-21","18:00:00",""
"7041227","10.197","0.001","13.081","0.001","13.311","0.002","107.243","0.003","93.614","0.003","110.812","0.003","1556.6","0.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C34 H36 N2 O6 P2 Pd2 -","- C34 H36 N2 O6 P2 Pd2 -","- C68 H72 N4 O12 P4 Pd4 -","2","1","","Dudkina, Yulia B.; Kholin, Kirill V.; Gryaznova, Tatyana V.; Islamov, Daut R.; Kataeva, Olga N.; Rizvanov, Ildar Kh; Levitskaya, Alina I.; Fominykh, Olga D.; Balakina, Marina Yu; Sinyashin, Oleg G.; Budnikova, Yulia H.","Redox trends in cyclometalated palladium(ii) complexes.","Dalton transactions (Cambridge, England : 2003)","2016","46","1","165","177","10.1039/c6dt03786k","","x-ray","0.71073","MoKα","","0.0542","0.0439","","","0.0963","0.1058","","","","","","1.148","","","","has coordinates","191684","2020-10-21","18:00:00",""
"7041228","27.7874","0.001","11.7457","0.0007","17.5147","0.0009","90","","129.073","0.002","90","","4438","0.4","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C26 H22 Ag N3 O5 -","- C26 H22 Ag N3 O5 -","- C208 H176 Ag8 N24 O40 -","8","1","","Liu, Lei-Lei; Chen, Jing; Yu, Cai-Xia; Lv, Wen-Xing; Yu, Hui-Ying; Cui, Xiao-Qing; Liu, Lin","A novel Ag(i)-calix[4]arene coordination polymer for the sensitive detection and efficient photodegradation of nitrobenzene in aqueous solution.","Dalton transactions (Cambridge, England : 2003)","2016","46","1","178","185","10.1039/c6dt03990a","","","0.71073","MoKα","","0.119","0.1167","","","0.2863","0.2873","","","","","","1.053","","","","has coordinates","191673","2020-10-21","18:00:00",""
"7041229","13.327","0.004","8.686","0.003","25.305","0.007","90","","102.658","0.011","90","","2858.1","1.5","110","","110","","","","","","","","","5","P 1 2/n 1","-P 2yac","13","","","","- C63 H54 N8 O9 Pd4 -","- C63 H54 N8 O9 Pd4 -","- C126 H108 N16 O18 Pd8 -","2","0.5","","Behnia, Ava; Boyle, Paul D.; Fard, Mahmood A.; Blacquiere, Johanna M.; Puddephatt, Richard J.","Pincer-plus-one ligands in self-assembly with palladium(ii): a molecular square and a molecular tetrahedron.","Dalton transactions (Cambridge, England : 2003)","2016","45","48","19485","19490","10.1039/c6dt04264c","","","0.71073","MoKα","","0.0847","0.0509","","","0.1101","0.1228","","","","","","1.06","","","","has coordinates,has disorder","190140","2020-10-21","18:00:00",""
"7041230","12.412","0.004","13.358","0.003","17.436","0.004","111.52","0.007","106.4","0.011","91.53","0.015","2552.3","1.2","110","","110","","","","","","","","","6","P -1","-P 1","2","","","","- C50 H34 Cl6 N8 O8 Pd4 -","- C50 H34 Cl6 N8 O8 Pd4 -","- C100 H68 Cl12 N16 O16 Pd8 -","2","1","","Behnia, Ava; Boyle, Paul D.; Fard, Mahmood A.; Blacquiere, Johanna M.; Puddephatt, Richard J.","Pincer-plus-one ligands in self-assembly with palladium(ii): a molecular square and a molecular tetrahedron.","Dalton transactions (Cambridge, England : 2003)","2016","45","48","19485","19490","10.1039/c6dt04264c","","","0.71073","MoKα","","0.0676","0.0429","","","0.1037","0.1177","","","","","","1.022","","","","has coordinates,has disorder","190140","2020-10-21","18:00:00",""
"7041231","12.823","0.003","7.1043","0.0014","16.997","0.006","90","","90.137","0.016","90","","1548.4","0.7","110","","110","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C13 H10 Cl4 N2 O Pd -","- C13 H10 Cl4 N2 O Pd -","- C52 H40 Cl16 N8 O4 Pd4 -","4","1","","Behnia, Ava; Boyle, Paul D.; Fard, Mahmood A.; Blacquiere, Johanna M.; Puddephatt, Richard J.","Pincer-plus-one ligands in self-assembly with palladium(ii): a molecular square and a molecular tetrahedron.","Dalton transactions (Cambridge, England : 2003)","2016","45","48","19485","19490","10.1039/c6dt04264c","","","0.71073","MoKα","","0.0254","0.0228","","","0.0727","0.0748","","","","","","0.948","","","","has coordinates,has disorder","190140","2020-10-21","18:00:00",""
"7041235","8.9713","0.0007","10.3845","0.0008","27.663","0.002","90","","90","","90","","2577.2","0.3","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","2-(diphenylphosphanyl)-1-{[2-(diphenylphosphanyl)-1H-imidazole]methyl}-1H-imidazole","","- C31 H26 N4 P2 -","- C31 H26 N4 P2 -","- C124 H104 N16 P8 -","4","1","","Bhat, Sajad A.; Pandey, Madhusudan K.; Mague, Joel T.; Balakrishna, Maravanji S.","Coordination of bis(azol-1-yl)methane-based bisphosphines towards Ru(II), Rh(I), Pd(II) and Pt(II): synthesis, structural and catalytic studies.","Dalton transactions (Cambridge, England : 2003)","2016","46","1","227","241","10.1039/c6dt04094b","","","0.71073","MoKα","","0.0353","0.0332","","","0.0828","0.0847","","","","","","1.048","","","","has coordinates","191676","2020-10-21","18:00:00",""
"7041236","12.323","0.002","12.892","0.002","12.951","0.002","93.945","0.002","117.423","0.002","117.267","0.002","1517.9","0.4","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","5-(Diphenylphosphanyl)-1-{[5-(diphosphanyl)-1H-pyrazol-1-yl]methyl}-1H-pyrazole chloroform solvate","","- C32 H27 Cl3 N4 P2 -","- C32 H27 Cl3 N4 P2 -","- C64 H54 Cl6 N8 P4 -","2","1","","Bhat, Sajad A.; Pandey, Madhusudan K.; Mague, Joel T.; Balakrishna, Maravanji S.","Coordination of bis(azol-1-yl)methane-based bisphosphines towards Ru(II), Rh(I), Pd(II) and Pt(II): synthesis, structural and catalytic studies.","Dalton transactions (Cambridge, England : 2003)","2016","46","1","227","241","10.1039/c6dt04094b","","","0.71073","MoKα","","0.0372","0.0323","","","0.0819","0.0858","","","","","","1.04","","","","has coordinates","191676","2020-10-21","18:00:00",""
"7041237","15.858","0.0003","11.7581","0.0003","13.3446","0.0003","90","","108.849","0.0006","90","","2354.8","0.09","100","2","100","2","","","","","","","","7","C 1 2 1","C 2y","5","","","","- C47 H50 B2 F8 N4 P2 Rh2 -","- C47 H50 B2 F8 N4 P2 Rh2 -","- C94 H100 B4 F16 N8 P4 Rh4 -","2","0.5","","Bhat, Sajad A.; Pandey, Madhusudan K.; Mague, Joel T.; Balakrishna, Maravanji S.","Coordination of bis(azol-1-yl)methane-based bisphosphines towards Ru(II), Rh(I), Pd(II) and Pt(II): synthesis, structural and catalytic studies.","Dalton transactions (Cambridge, England : 2003)","2016","46","1","227","241","10.1039/c6dt04094b","","","1.54178","CuKα","","0.0226","0.0224","","","0.0568","0.0569","","","","","","1.072","","","","has coordinates","191676","2020-10-21","18:00:00",""
"7041238","12.041","0.004","18.039","0.006","13.169","0.004","90","","92.438","0.004","90","","2857.8","1.6","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C31 H26 Cl2 N4 P2 Pd -","- C31 H26 Cl2 N4 P2 Pd -","- C124 H104 Cl8 N16 P8 Pd4 -","4","1","","Bhat, Sajad A.; Pandey, Madhusudan K.; Mague, Joel T.; Balakrishna, Maravanji S.","Coordination of bis(azol-1-yl)methane-based bisphosphines towards Ru(II), Rh(I), Pd(II) and Pt(II): synthesis, structural and catalytic studies.","Dalton transactions (Cambridge, England : 2003)","2016","46","1","227","241","10.1039/c6dt04094b","","","0.71073","MoKα","","0.0434","0.0355","","","0.0904","0.0959","","","","","","1.035","","","","has coordinates","191676","2020-10-21","18:00:00",""
"7041239","9.9501","0.0003","24.6633","0.0009","11.4922","0.0004","90","","98.431","0.0016","90","","2789.73","0.16","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","<i>cis</i>-Dichlorido(5-(diphenylphosphanyl)-1-{[5-diphenylphosphanyl-1H-1,2,4-triazol-1-yl]methyl}-1H-1,2,4-triazole-κ^2^<i>P,P'</i>)palladium(II)","","- C29 H24 Cl2 N6 P2 Pd -","- C29 H24 Cl2 N6 P2 Pd -","- C116 H96 Cl8 N24 P8 Pd4 -","4","1","","Bhat, Sajad A.; Pandey, Madhusudan K.; Mague, Joel T.; Balakrishna, Maravanji S.","Coordination of bis(azol-1-yl)methane-based bisphosphines towards Ru(II), Rh(I), Pd(II) and Pt(II): synthesis, structural and catalytic studies.","Dalton transactions (Cambridge, England : 2003)","2016","46","1","227","241","10.1039/c6dt04094b","","","1.54178","CuKα","","0.0512","0.0339","","","0.0675","0.0726","","","","","","1.017","","","","has coordinates","191676","2020-10-21","18:00:00",""
"7041240","13.078","0.003","13.427","0.003","16.699","0.004","90","","103.209","0.004","90","","2854.7","1.1","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","[1-({2-[diphenyl[selenylidene)-λ^5^-phosphanyl]-1H-imidazol-1-yl}methyl)-1H-imidazol-2-yl]diphenyl-λ^5^-phosphaselenone","","- C31 H26 N4 P2 Se2 -","- C31 H26 N4 P2 Se2 -","- C124 H104 N16 P8 Se8 -","4","1","","Bhat, Sajad A.; Pandey, Madhusudan K.; Mague, Joel T.; Balakrishna, Maravanji S.","Coordination of bis(azol-1-yl)methane-based bisphosphines towards Ru(II), Rh(I), Pd(II) and Pt(II): synthesis, structural and catalytic studies.","Dalton transactions (Cambridge, England : 2003)","2016","46","1","227","241","10.1039/c6dt04094b","","","0.71073","MoKα","","0.0345","0.0282","","","0.0697","0.0724","","","","","","1.042","","","","has coordinates","191676","2020-10-21","18:00:00",""
"7041241","14.321","0.003","11.432","0.002","17.924","0.003","90","","103.979","0.002","90","","2847.6","0.9","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","1-({5-[diphenyl(selenylidene)-λ^5^-phosphanyl]-1H-1,2,4-triazol-1-yl}methyl)-1H-1,2,4-triazol-5-yldiphenyl-λ^5^-phosphaneselone","","- C29 H24 N6 P2 Se2 -","- C29 H24 N6 P2 Se2 -","- C116 H96 N24 P8 Se8 -","4","1","","Bhat, Sajad A.; Pandey, Madhusudan K.; Mague, Joel T.; Balakrishna, Maravanji S.","Coordination of bis(azol-1-yl)methane-based bisphosphines towards Ru(II), Rh(I), Pd(II) and Pt(II): synthesis, structural and catalytic studies.","Dalton transactions (Cambridge, England : 2003)","2016","46","1","227","241","10.1039/c6dt04094b","","","0.71073","MoKα","","0.1641","0.0916","","","0.2389","0.2846","","","","","","1.041","","","","has coordinates","191676","2020-10-21","18:00:00",""
"7041242","11.0252","0.0013","25.073","0.003","11.0932","0.0013","90","","90.325","0.002","90","","3066.5","0.6","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Chlorido(η^5^-cyclopentadienyl)(2-(diphenylphosphanyl)-1-{[2-(diphenylphosphanyl)-1H-imidazol-1-yl]methyl}-1H-imidazole-κ^2^P,P')ruthenium(II)","","- C36 H31 Cl N4 P2 Ru -","- C36 H31 Cl N4 P2 Ru -","- C144 H124 Cl4 N16 P8 Ru4 -","4","1","","Bhat, Sajad A.; Pandey, Madhusudan K.; Mague, Joel T.; Balakrishna, Maravanji S.","Coordination of bis(azol-1-yl)methane-based bisphosphines towards Ru(II), Rh(I), Pd(II) and Pt(II): synthesis, structural and catalytic studies.","Dalton transactions (Cambridge, England : 2003)","2016","46","1","227","241","10.1039/c6dt04094b","","","0.71073","MoKα","","0.0379","0.0293","","","0.0713","0.0774","","","","","","1.056","","","","has coordinates","191676","2020-10-21","18:00:00",""
"7041243","17.6873","0.0006","9.4183","0.0003","18.1538","0.0006","90","","109.52","0.001","90","","2850.33","0.16","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","[1-({3-diphenyl(selenylidene)-λ^5^-phosphanyl]-1H-pyrazol-1-yl}methyl)-1H-pyrazol-3-yl]diphenyl-λ^5^-phosphaselenone","","- C31 H26 N4 P2 Se2 -","- C31 H26 N4 P2 Se2 -","- C124 H104 N16 P8 Se8 -","4","1","","Bhat, Sajad A.; Pandey, Madhusudan K.; Mague, Joel T.; Balakrishna, Maravanji S.","Coordination of bis(azol-1-yl)methane-based bisphosphines towards Ru(II), Rh(I), Pd(II) and Pt(II): synthesis, structural and catalytic studies.","Dalton transactions (Cambridge, England : 2003)","2016","46","1","227","241","10.1039/c6dt04094b","","","1.54178","CuKα","","0.0352","0.0299","","","0.0703","0.0728","","","","","","1.038","","","","has coordinates","191676","2020-10-21","18:00:00",""
"7041244","12.0662","0.0008","18.1114","0.0012","13.1999","0.0009","90","","92.314","0.001","90","","2882.3","0.3","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Dichlorido(2-(diphenylphosphanyl)-1-{[2-(diphenylphosphanyl)-1H-imidazole]methyl}-1H-imidazole-κ^2^<i>P,P'</i>)platinum(II)","","- C31 H26 Cl2 N4 P2 Pt -","- C31 H26 Cl2 N4 P2 Pt -","- C124 H104 Cl8 N16 P8 Pt4 -","4","1","","Bhat, Sajad A.; Pandey, Madhusudan K.; Mague, Joel T.; Balakrishna, Maravanji S.","Coordination of bis(azol-1-yl)methane-based bisphosphines towards Ru(II), Rh(I), Pd(II) and Pt(II): synthesis, structural and catalytic studies.","Dalton transactions (Cambridge, England : 2003)","2016","46","1","227","241","10.1039/c6dt04094b","","","0.71073","MoKα","","0.0272","0.0221","","","0.0499","0.0523","","","","","","1.034","","","","has coordinates","191676","2020-10-21","18:00:00",""
"7041245","11.1418","0.0005","31.8019","0.0015","11.9253","0.0006","90","","102.25","0.0007","90","","4129.3","0.3","150","2","150","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C38 H38 B2 Cl2 F8 N4 P2 Pd2 -","- C38 H38 B2 Cl2 F8 N4 P2 Pd2 -","- C152 H152 B8 Cl8 F32 N16 P8 Pd8 -","4","1","","Bhat, Sajad A.; Pandey, Madhusudan K.; Mague, Joel T.; Balakrishna, Maravanji S.","Coordination of bis(azol-1-yl)methane-based bisphosphines towards Ru(II), Rh(I), Pd(II) and Pt(II): synthesis, structural and catalytic studies.","Dalton transactions (Cambridge, England : 2003)","2016","46","1","227","241","10.1039/c6dt04094b","","","0.71073","MoKα","","0.0477","0.0364","","","0.0825","0.0897","","","","","","1.021","","","","has coordinates,has disorder","191676","2020-10-21","18:00:00",""
"7041246","9.1612","0.0003","12.9584","0.0005","15.8185","0.0003","98.61","0.002","92.84","0.002","107.317","0.003","1763.73","0.1","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C36 H31 Cl N4 P2 Ru -","- C36 H31 Cl N4 P2 Ru -","- C72 H62 Cl2 N8 P4 Ru2 -","2","1","","Bhat, Sajad A.; Pandey, Madhusudan K.; Mague, Joel T.; Balakrishna, Maravanji S.","Coordination of bis(azol-1-yl)methane-based bisphosphines towards Ru(II), Rh(I), Pd(II) and Pt(II): synthesis, structural and catalytic studies.","Dalton transactions (Cambridge, England : 2003)","2016","46","1","227","241","10.1039/c6dt04094b","","","0.71073","MoKα","","0.0429","0.038","","","0.1014","0.1051","","","","","","1.055","","","","has coordinates","191676","2020-10-21","18:00:00",""
"7041247","9.4977","0.0003","18.3954","0.0004","19.946","0.0005","87.8663","0.0017","79.437","0.002","78.663","0.002","3358.94","0.16","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C35 H31 Cl3 N6 P2 Ru -","- C35 H31 Cl3 N6 P2 Ru -","- C140 H124 Cl12 N24 P8 Ru4 -","4","2","","Bhat, Sajad A.; Pandey, Madhusudan K.; Mague, Joel T.; Balakrishna, Maravanji S.","Coordination of bis(azol-1-yl)methane-based bisphosphines towards Ru(II), Rh(I), Pd(II) and Pt(II): synthesis, structural and catalytic studies.","Dalton transactions (Cambridge, England : 2003)","2016","46","1","227","241","10.1039/c6dt04094b","","","0.71073","MoKα","","0.0353","0.0298","","","0.0651","0.0681","","","","","","1.039","","","","has coordinates","191676","2020-10-21","18:00:00",""
"7041248","25.8427","0.001","21.4714","0.0009","12.3275","0.0004","90","","90","","90","","6840.3","0.4","150","","150","","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C33 H30 Co Mn N7 O4 -","- C33 H30 Co Mn N7 O4 -","- C264 H240 Co8 Mn8 N56 O32 -","8","1","","Alexandru, Maria-Gabriela; Visinescu, Diana; Shova, Sergiu; Lloret, Francesc; Julve, Miguel","Synthesis, crystal structure and magnetic properties of a cyanide-bridged heterometallic {Co(II)Mn(III)} chain.","Dalton transactions (Cambridge, England : 2003)","2016","46","1","39","43","10.1039/c6dt04087j","","","1.54184","CuKα","","0.0877","0.0757","","","0.1815","0.1881","","","","","","1.128","","","","has coordinates,has disorder","191678","2020-10-21","18:00:00",""
"7041249","26.984","0.016","10.811","0.007","21.325","0.013","90","","103.361","0.011","90","","6053","6","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C66 H60 Dy2 N6 O14 -","- C66 H60 Dy2 N6 O14 -","- C264 H240 Dy8 N24 O56 -","4","0.5","","Zhang, Kun; Yuan, Chen; Guo, Fu-Sheng; Zhang, Yi-Quan; Wang, Yao-Yu","Fine-tuning terminal solvent ligands to rationally enhance the energy barrier in dinuclear dysprosium single-molecule magnets.","Dalton transactions (Cambridge, England : 2003)","2016","46","1","186","192","10.1039/c6dt04231g","","","0.71073","MoKα","","0.0686","0.0444","","","0.1142","0.1277","","","","","","0.996","","","","has coordinates","191683","2020-10-21","18:00:00",""
"7041250","17.6437","0.0007","12.2553","0.0005","18.4911","0.0008","90","","113.017","0.001","90","","3680","0.3","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C76 H82 Dy2 N8 O16 -","- C76 H82 Dy2 N8 O16.0004 -","- C152 H164 Dy4 N16 O32.0008 -","2","0.5","","Zhang, Kun; Yuan, Chen; Guo, Fu-Sheng; Zhang, Yi-Quan; Wang, Yao-Yu","Fine-tuning terminal solvent ligands to rationally enhance the energy barrier in dinuclear dysprosium single-molecule magnets.","Dalton transactions (Cambridge, England : 2003)","2016","46","1","186","192","10.1039/c6dt04231g","","","0.71073","MoKα","","0.1118","0.0824","","","0.1869","0.2055","","","","","","1.05","","","","has coordinates,has disorder","191683","2020-10-21","18:00:00",""
"7041252","24.639","0.0002","16.0825","0.0001","23.4143","0.0001","90","","94.798","0.001","90","","9245.56","0.1","130","0.2","130","0.2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","[(?2-dcpm)Ag2(?2-O2CH)(η2-NO3)]2.[(?2-dcpm)2Ag4(?2-NO3)4]","","","- C76 H139 Ag6 N5 O17 P6 -","- C76 H139 Ag6 N5 O17 P6 -","- C304 H556 Ag24 N20 O68 P24 -","4","1","","Zavras, Athanasios; White, Jonathan M.; O'Hair, Richard A J","An unusual co-crystal [(μ2-dcpm)Ag2(μ2-O2CH)(η(2)-NO3)]2·[(μ2-dcpm)2Ag4(μ2-NO3)4] and its connection to the selective decarboxylation of formic acid in the gas phase.","Dalton transactions (Cambridge, England : 2003)","2016","45","48","19408","19415","10.1039/c6dt03700c","","","1.5418","CuKα","","0.0506","0.0449","","","0.1177","0.1226","","","","","","1.039","","","","has coordinates","190143","2020-10-21","18:00:00",""
"7041253","13.7432","0.0014","14.4994","0.0015","13.7674","0.0014","90","","109.486","0.001","90","","2586.3","0.5","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C27 H31 Cl N2 Ru Te -","- C27 H31 Cl N2 Ru Te -","- C108 H124 Cl4 N8 Ru4 Te4 -","4","1","","Suzuki, Ayumi; Arai, Takahiro; Ikenaga, Kota; Mutoh, Yuichiro; Tsuchida, Noriko; Saito, Shinichi; Ishii, Youichi","A ruthenium tellurocarbonyl (CTe) complex with a cyclopentadienyl ligand: systematic studies of a series of chalcogenocarbonyl complexes [CpRuCl(CE)(H2IMes)] (E = O, S, Se, Te).","Dalton transactions (Cambridge, England : 2003)","2016","46","1","44","48","10.1039/c6dt04440a","","","0.71073","MoKα","","0.0181","0.0166","","","0.0414","0.0423","","","","","","1.044","","","","has coordinates","191688","2020-10-21","18:00:00",""
"7041254","9.9649","0.0002","11.0985","0.0002","17.6722","0.0003","71.044","0.001","82.983","0.001","73.748","0.001","1773.55","0.06","160","2","160","2","","","","","","","","5","P -1","-P 1","2","","","","- C32 H50 Cu2 N2 O8 -","- C32 H50 Cu2 N2 O8 -","- C64 H100 Cu4 N4 O16 -","2","1","","Lada, Zoi G.; Soto Beobide, Amaia; Savvidou, Aikaterini; Raptopoulou, Catherine P.; Psycharis, Vassilis; Voyiatzis, George A.; Turnbull, Mark M.; Perlepes, Spyros P.","A unique copper(ii)-assisted transformation of acetylacetone dioxime in acetone that leads to one-dimensional, quinoxaline-bridged coordination polymers.","Dalton transactions (Cambridge, England : 2003)","2016","46","1","260","274","10.1039/c6dt03595g","","","1.54178","CuKα","","0.0472","0.0406","","","0.1059","0.1113","","","","","","1.096","","","","has coordinates","191674","2020-10-21","18:00:00",""
"7041255","21.2259","0.0004","17.237","0.0003","9.3165","0.0002","90","","90","","90","","3408.64","0.11","293","2","293","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C28 H42 Cu2 N2 O8 -","- C28 H42 Cu2 N2 O8 -","- C112 H168 Cu8 N8 O32 -","4","1","","Lada, Zoi G.; Soto Beobide, Amaia; Savvidou, Aikaterini; Raptopoulou, Catherine P.; Psycharis, Vassilis; Voyiatzis, George A.; Turnbull, Mark M.; Perlepes, Spyros P.","A unique copper(ii)-assisted transformation of acetylacetone dioxime in acetone that leads to one-dimensional, quinoxaline-bridged coordination polymers.","Dalton transactions (Cambridge, England : 2003)","2016","46","1","260","274","10.1039/c6dt03595g","","","1.54178","CuKα","","0.1094","0.0594","","","0.1224","0.1744","","","","","","1.133","","","","has coordinates","191674","2020-10-21","18:00:00",""
"7041263","7.2366","0.0016","9.775","0.002","10.199","0.002","90","","90.643","0.002","90","","721.4","0.3","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- B2 La Li O6 Rb2 -","- B2 La Li O6 Rb2 -","- B8 La4 Li4 O24 Rb8 -","4","1","","Xu, Dongdong; Zhang, Fangfang; Sun, Yanzhou; Yang, Zhihua; Lei, Binghua; Liu, Lili; Pan, Shilie","LiRb2LaB2O6: a new rare-earth borate with a MOF-5-like topological structure and a short UV cut-off edge.","Dalton transactions (Cambridge, England : 2003)","2016","46","1","193","199","10.1039/c6dt04243k","","","0.71073","MoKα","","0.0304","0.0265","","","0.0593","0.0609","","","","","","1.088","","","","has coordinates","191680","2020-10-21","18:00:00",""
"7041264","25.48","0.006","14.606","0.003","17.569","0.004","90","","114.161","0.003","90","","5966","2","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","FeTMP4MePYNO2BF4","","- C68 H66 B F4 Fe N6 O2 -","- C68 H66 B F4 Fe N6 O2 -","- C272 H264 B4 F16 Fe4 N24 O8 -","4","0.5","","Ide, Yuki; Murai, Nami; Ishimae, Hiroki; Suzuki, Masaaki; Mori, Shigeki; Takahashi, Masashi; Nakamura, Mikio; Yoshino, Katsumi; Ikeue, Takahisa","Spin-crossover between high-spin (S = 5/2) and low-spin (S = 1/2) states in six-coordinate iron(iii) porphyrin complexes having two pyridine-N oxide derivatives.","Dalton transactions (Cambridge, England : 2003)","2016","46","1","242","249","10.1039/c6dt03859j","","","0.71075","MoKα","","0.1067","0.0985","","","0.1941","0.1986","","","","","","1.285","","","","has coordinates,has disorder","191685","2020-10-21","18:00:00",""
"7041265","25.363","0.005","14.931","0.003","17.644","0.004","90","","112.617","0.003","90","","6168","2","300","2","300","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","FeTMP4MePYNO2BF4300K","","- C68 H66 B F4 Fe N6 O2 -","- C68 H66 B F4 Fe N6 O2 -","- C272 H264 B4 F16 Fe4 N24 O8 -","4","0.5","","Ide, Yuki; Murai, Nami; Ishimae, Hiroki; Suzuki, Masaaki; Mori, Shigeki; Takahashi, Masashi; Nakamura, Mikio; Yoshino, Katsumi; Ikeue, Takahisa","Spin-crossover between high-spin (S = 5/2) and low-spin (S = 1/2) states in six-coordinate iron(iii) porphyrin complexes having two pyridine-N oxide derivatives.","Dalton transactions (Cambridge, England : 2003)","2016","46","1","242","249","10.1039/c6dt03859j","","","0.71075","MoKα","","0.0897","0.069","","","0.1802","0.1975","","","","","","1.142","","","","has coordinates,has disorder","191685","2020-10-21","18:00:00",""
"7041266","12.983","0.005","13.837","0.005","19.824","0.006","109.92","0.02","95.24","0.02","100.087","0.016","3252","2","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","FeTMP4ClPYNO2BF4","","- C68 H64 B Cl6 F4 Fe N6 O2 -","- C68 H64 B Cl6 F4 Fe N6 O2 -","- C136 H128 B2 Cl12 F8 Fe2 N12 O4 -","2","1","","Ide, Yuki; Murai, Nami; Ishimae, Hiroki; Suzuki, Masaaki; Mori, Shigeki; Takahashi, Masashi; Nakamura, Mikio; Yoshino, Katsumi; Ikeue, Takahisa","Spin-crossover between high-spin (S = 5/2) and low-spin (S = 1/2) states in six-coordinate iron(iii) porphyrin complexes having two pyridine-N oxide derivatives.","Dalton transactions (Cambridge, England : 2003)","2016","46","1","242","249","10.1039/c6dt03859j","","","0.71075","MoKα","","0.0843","0.0683","","","0.1439","0.1552","","","","","","1.053","","","","has coordinates,has disorder","191685","2020-10-21","18:00:00",""
"7041267","14.352","0.002","15.273","0.002","18.23","0.003","70.093","0.008","76.76","0.009","77.769","0.009","3618","0.9","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","FeTMPDMAPNO2BF4","","- C84 H88 B F4 Fe N8 O2 -","- C84 H88 B F4 Fe N8 O2 -","- C168 H176 B2 F8 Fe2 N16 O4 -","2","1","","Ide, Yuki; Murai, Nami; Ishimae, Hiroki; Suzuki, Masaaki; Mori, Shigeki; Takahashi, Masashi; Nakamura, Mikio; Yoshino, Katsumi; Ikeue, Takahisa","Spin-crossover between high-spin (S = 5/2) and low-spin (S = 1/2) states in six-coordinate iron(iii) porphyrin complexes having two pyridine-N oxide derivatives.","Dalton transactions (Cambridge, England : 2003)","2016","46","1","242","249","10.1039/c6dt03859j","","","0.71075","MoKα","","0.1382","0.0977","","","0.1846","0.2062","","","","","","1.141","","","","has coordinates","191685","2020-10-21","18:00:00",""
"7041268","14.7563","0.0016","15.299","0.002","18.938","0.002","92.515","0.014","108.315","0.01","117.216","0.008","3519.2","0.9","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","[Fe(TPFPP)(4NMe2PyNO)2]BF4","","- C76.5 H50 B Cl2 F24 Fe N8 O2 -","- C76.5 H50 B Cl2 F24 Fe N8 O2 -","- C153 H100 B2 Cl4 F48 Fe2 N16 O4 -","2","1","","Ide, Yuki; Murai, Nami; Ishimae, Hiroki; Suzuki, Masaaki; Mori, Shigeki; Takahashi, Masashi; Nakamura, Mikio; Yoshino, Katsumi; Ikeue, Takahisa","Spin-crossover between high-spin (S = 5/2) and low-spin (S = 1/2) states in six-coordinate iron(iii) porphyrin complexes having two pyridine-N oxide derivatives.","Dalton transactions (Cambridge, England : 2003)","2016","46","1","242","249","10.1039/c6dt03859j","","","0.71075","MoKα","","0.1373","0.0988","","","0.2119","0.2368","","","","","","1.046","","","","has coordinates,has disorder","191685","2020-10-21","18:00:00",""
"7041269","18.2141","0.0013","25.3583","0.0017","8.7881","0.0006","90","","96.072","0.002","90","","4036.3","0.5","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C38 H23 F10 Ir N5 P -","- C38 H23 F10 Ir N5 P -","- C152 H92 F40 Ir4 N20 P4 -","4","1","","Gong, Dan-Ping; Gao, Tai-Bao; Cao, Deng-Ke; Ward, Michael D.","Cyclometalated Ir(iii) complexes containing quinoline-benzimidazole-based N^N ancillary ligands: structural and luminescence modulation by varying the substituent groups or the protonation/deprotonation state of imidazole units.","Dalton transactions (Cambridge, England : 2003)","2016","46","1","275","286","10.1039/c6dt04091h","","","0.71073","MoKα","","0.0615","0.0435","","","0.1033","0.1099","","","","","","1.042","","","","has coordinates","191672","2020-10-21","18:00:00",""
"7041270","8.7354","0.0008","25.433","0.002","17.5961","0.0016","90","","90.296","0.003","90","","3909.2","0.6","296","2","296","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C39 H27 F10 Ir N5 O P -","- C39 H25 F10 Ir N5 O P -","- C156 H100 F40 Ir4 N20 O4 P4 -","4","1","","Gong, Dan-Ping; Gao, Tai-Bao; Cao, Deng-Ke; Ward, Michael D.","Cyclometalated Ir(iii) complexes containing quinoline-benzimidazole-based N^N ancillary ligands: structural and luminescence modulation by varying the substituent groups or the protonation/deprotonation state of imidazole units.","Dalton transactions (Cambridge, England : 2003)","2016","46","1","275","286","10.1039/c6dt04091h","","","0.71073","MoKα","","0.0935","0.0637","","","0.1696","0.1817","","","","","","1.01","","","","has coordinates","191672","2020-10-21","18:00:00",""
"7041271","8.966","0.006","15.704","0.01","16.479","0.011","86.703","0.012","75.961","0.011","79.617","0.01","2214","3","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C46 H39 F10 Ir N5 P -","- C46 H39 F10 Ir N5 P -","- C92 H78 F20 Ir2 N10 P2 -","2","1","","Gong, Dan-Ping; Gao, Tai-Bao; Cao, Deng-Ke; Ward, Michael D.","Cyclometalated Ir(iii) complexes containing quinoline-benzimidazole-based N^N ancillary ligands: structural and luminescence modulation by varying the substituent groups or the protonation/deprotonation state of imidazole units.","Dalton transactions (Cambridge, England : 2003)","2016","46","1","275","286","10.1039/c6dt04091h","","","0.71073","MoKα","","0.1833","0.0892","","","0.1672","0.1867","","","","","","1.053","","","","has coordinates,has disorder","191672","2020-10-21","18:00:00",""
"7041272","14.8815","0.0009","18.387","0.0011","22.3395","0.0013","90","","90","","90","","6112.7","0.6","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C38 H22 F4 Ir N5 -","- C38 H22 F4 Ir N5 -","- C304 H176 F32 Ir8 N40 -","8","1","","Gong, Dan-Ping; Gao, Tai-Bao; Cao, Deng-Ke; Ward, Michael D.","Cyclometalated Ir(iii) complexes containing quinoline-benzimidazole-based N^N ancillary ligands: structural and luminescence modulation by varying the substituent groups or the protonation/deprotonation state of imidazole units.","Dalton transactions (Cambridge, England : 2003)","2016","46","1","275","286","10.1039/c6dt04091h","","","0.71073","MoKα","","0.0493","0.0258","","","0.06","0.0692","","","","","","1.092","","","","has coordinates","191672","2020-10-21","18:00:00",""
"7041273","11.279","0.0003","13.0907","0.0004","14.2729","0.0004","110.506","0.002","109.862","0.002","94.502","0.002","1809.18","0.1","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","2,?10-?Bis(1,?1-?dimethylethyl)?-?6-?dipyrido[1,?2-?c:2',?1'-?e]?imidazol-?5-?ium-6-yl-η5-cyclopentadienide lithium bis(trifluoromethylsulfonyl)imideamide","","- C35 H37 F6 Li N3 O4 S2 -","- C35 H37 F6 Li N3 O4 S2 -","- C70 H74 F12 Li2 N6 O8 S4 -","2","1","","Schmid, Dominic; Seyboldt, Alexander; Eichele, Klaus; Kunz, Doris","Synthesis of a lithium-cyclopentadienide complex by addition of LiNTf2 to a zwitterionic fulvalene.","Dalton transactions (Cambridge, England : 2003)","2016","46","1","29","32","10.1039/c6dt03355e","","","0.71073","MoKα","","0.0617","0.0519","","","0.1327","0.1411","","","","","","1.042","","","","has coordinates","191675","2020-10-21","18:00:00",""
"7041274","20.988","0.005","6.425","0.005","13.166","0.005","90","","100.804","0.005","90","","1743.9","1.6","140","2","140","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H19 Au Cl N3 -","- C18 H19 Au Cl N3 -","- C72 H76 Au4 Cl4 N12 -","4","1","","Rigo, Massimo; Hettmanczyk, Lara; Heutz, Frank J. L.; Hohloch, Stephan; Lutz, Martin; Sarkar, Biprajit; Müller, Christian","Phosphinines versus mesoionic carbenes: a comparison of structurally related ligands in Au(i)-catalysis.","Dalton transactions (Cambridge, England : 2003)","2016","46","1","86","95","10.1039/c6dt03766f","","","0.71069","MoKα","","0.0665","0.037","","","0.0836","0.1095","","","","","","1.037","","","","has coordinates","191690","2020-10-21","18:00:00",""
"7041275","9.8535","0.0001","10.2395","0.0001","13.9713","0.0002","109.06","0.0007","91.5964","0.0006","93.8629","0.0005","1327.47","0.03","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C30 H31 Au Cl O P -","- C30 H31 Au Cl O P -","- C60 H62 Au2 Cl2 O2 P2 -","2","1","","Rigo, Massimo; Hettmanczyk, Lara; Heutz, Frank J. L.; Hohloch, Stephan; Lutz, Martin; Sarkar, Biprajit; Müller, Christian","Phosphinines versus mesoionic carbenes: a comparison of structurally related ligands in Au(i)-catalysis.","Dalton transactions (Cambridge, England : 2003)","2016","46","1","86","95","10.1039/c6dt03766f","","","0.71073","MoKα","","0.0273","0.0236","","","0.0534","0.0547","","","","","","1.053","","","","has coordinates","191690","2020-10-21","18:00:00",""
"7041276","20.088","0.01","21.319","0.011","17.532","0.009","90","","106.603","0.011","90","","7195","6","100","2","100","1","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C66 H84 Cl N6 Ni2 O16 Y -","- C66 H84 Cl N6 Ni2 O16 Y -","- C264 H336 Cl4 N24 Ni8 O64 Y4 -","4","0.5","","Comba, Peter; Enders, Markus; Großhauser, Michael; Hiller, Markus; Müller, Dennis; Wadepohl, Hubert","Solution and solid state structures and magnetism of a series of linear trinuclear compounds with a hexacoordinate Ln(III) and two terminal Ni(II) centers.","Dalton transactions (Cambridge, England : 2003)","2016","46","1","138","149","10.1039/c6dt03488h","","x-ray","0.71073","MoKα","","0.0581","0.0469","","","0.1423","0.1511","","","","","","1.049","","","","has coordinates,has disorder","191677","2020-10-21","18:00:00",""
"7041277","12.90542","0.00015","25.563","0.0003","22.9782","0.0003","90","","90","","90","","7580.54","0.16","120","1","120","1","","","","","","","","7","P n n a","-P 2a 2bc","52","","","","- C66 H84 Cl2 La N6 Ni2 O20 -","- C66 H84 Cl2 La N6 Ni2 O20 -","- C264 H336 Cl8 La4 N24 Ni8 O80 -","4","0.5","","Comba, Peter; Enders, Markus; Großhauser, Michael; Hiller, Markus; Müller, Dennis; Wadepohl, Hubert","Solution and solid state structures and magnetism of a series of linear trinuclear compounds with a hexacoordinate Ln(III) and two terminal Ni(II) centers.","Dalton transactions (Cambridge, England : 2003)","2016","46","1","138","149","10.1039/c6dt03488h","","x-ray","0.71073","MoKα","","0.0718","0.0614","","","0.1723","0.1789","","","","","","1.073","","","","has coordinates","191677","2020-10-21","18:00:00",""
"7041278","12.91505","0.00016","25.5924","0.0003","22.9435","0.0003","90","","90","","90","","7583.45","0.16","120","1","120","1","","","","","","","","7","P n n a","-P 2a 2bc","52","","","","- C66 H84 Ce Cl2 N6 Ni2 O20 -","- C66 H84 Ce Cl2 N6 Ni2 O20 -","- C264 H336 Ce4 Cl8 N24 Ni8 O80 -","4","0.5","","Comba, Peter; Enders, Markus; Großhauser, Michael; Hiller, Markus; Müller, Dennis; Wadepohl, Hubert","Solution and solid state structures and magnetism of a series of linear trinuclear compounds with a hexacoordinate Ln(III) and two terminal Ni(II) centers.","Dalton transactions (Cambridge, England : 2003)","2016","46","1","138","149","10.1039/c6dt03488h","","x-ray","0.71073","MoKα","","0.0834","0.0775","","","0.1796","0.1823","","","","","","1.217","","","","has coordinates","191677","2020-10-21","18:00:00",""
"7041279","12.94563","0.00015","25.5344","0.0003","22.9043","0.0003","90","","90","","90","","7571.22","0.16","120","1","120","1","","","","","","","","7","P n n a","-P 2a 2bc","52","","","","- C66 H84 Cl2 N6 Nd Ni2 O20 -","- C66 H84 Cl2 N6 Nd Ni2 O20 -","- C264 H336 Cl8 N24 Nd4 Ni8 O80 -","4","0.5","","Comba, Peter; Enders, Markus; Großhauser, Michael; Hiller, Markus; Müller, Dennis; Wadepohl, Hubert","Solution and solid state structures and magnetism of a series of linear trinuclear compounds with a hexacoordinate Ln(III) and two terminal Ni(II) centers.","Dalton transactions (Cambridge, England : 2003)","2016","46","1","138","149","10.1039/c6dt03488h","","x-ray","0.71073","MoKα","","0.0729","0.0671","","","0.1655","0.1683","","","","","","1.169","","","","has coordinates","191677","2020-10-21","18:00:00",""
"7041280","19.645","0.01","18.946","0.01","19.212","0.01","90","","109.102","0.012","90","","6757","6","100","2","100","1","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C68 H94 Cl N6 Ni2 O19 Sm -","- C68 H94 Cl N6 Ni2 O19 Sm -","- C272 H376 Cl4 N24 Ni8 O76 Sm4 -","4","0.5","","Comba, Peter; Enders, Markus; Großhauser, Michael; Hiller, Markus; Müller, Dennis; Wadepohl, Hubert","Solution and solid state structures and magnetism of a series of linear trinuclear compounds with a hexacoordinate Ln(III) and two terminal Ni(II) centers.","Dalton transactions (Cambridge, England : 2003)","2016","46","1","138","149","10.1039/c6dt03488h","","x-ray","0.71073","MoKα","","0.0461","0.033","","","0.0771","0.0833","","","","","","1.055","","","","has coordinates","191677","2020-10-21","18:00:00",""
"7041281","19.679","0.01","18.955","0.01","19.191","0.01","90","","109.106","0.011","90","","6764","6","100","2","100","1","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C68 H94 Cl Eu N6 Ni2 O19 -","- C68 H94 Cl Eu N6 Ni2 O19 -","- C272 H376 Cl4 Eu4 N24 Ni8 O76 -","4","0.5","","Comba, Peter; Enders, Markus; Großhauser, Michael; Hiller, Markus; Müller, Dennis; Wadepohl, Hubert","Solution and solid state structures and magnetism of a series of linear trinuclear compounds with a hexacoordinate Ln(III) and two terminal Ni(II) centers.","Dalton transactions (Cambridge, England : 2003)","2016","46","1","138","149","10.1039/c6dt03488h","","x-ray","0.71073","MoKα","","0.0429","0.0298","","","0.0632","0.0683","","","","","","1.054","","","","has coordinates","191677","2020-10-21","18:00:00",""
"7041282","12.863","0.007","22.43","0.011","23.022","0.011","90","","93.909","0.015","90","","6627","6","100","2","100","1","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C66 H84 Cl Gd N6 Ni2 O16 -","- C66 H84 Cl Gd N6 Ni2 O16 -","- C264 H336 Cl4 Gd4 N24 Ni8 O64 -","4","1","","Comba, Peter; Enders, Markus; Großhauser, Michael; Hiller, Markus; Müller, Dennis; Wadepohl, Hubert","Solution and solid state structures and magnetism of a series of linear trinuclear compounds with a hexacoordinate Ln(III) and two terminal Ni(II) centers.","Dalton transactions (Cambridge, England : 2003)","2016","46","1","138","149","10.1039/c6dt03488h","","x-ray","0.71073","MoKα","","0.0577","0.0393","","","0.085","0.0939","","","","","","1.1","","","","has coordinates","191677","2020-10-21","18:00:00",""
"7041283","19.7091","0.0002","18.9827","0.00018","19.1549","0.0002","90","","109.038","0.0012","90","","6774.49","0.13","120","1","120","1","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C68 H94 Cl N6 Ni2 O19 Tb -","- C68 H94 Cl N6 Ni2 O19 Tb -","- C272 H376 Cl4 N24 Ni8 O76 Tb4 -","4","0.5","","Comba, Peter; Enders, Markus; Großhauser, Michael; Hiller, Markus; Müller, Dennis; Wadepohl, Hubert","Solution and solid state structures and magnetism of a series of linear trinuclear compounds with a hexacoordinate Ln(III) and two terminal Ni(II) centers.","Dalton transactions (Cambridge, England : 2003)","2016","46","1","138","149","10.1039/c6dt03488h","","x-ray","0.71073","MoKα","","0.033","0.0308","","","0.0661","0.0668","","","","","","1.181","","","","has coordinates","191677","2020-10-21","18:00:00",""
"7041284","14.6","0.006","25.289","0.01","18.68","0.008","90","","99.199","0.011","90","","6808","5","100","2","100","1","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C67 H88 Cl Dy N6 Ni2 O17 -","- C67 H88 Cl Dy N6 Ni2 O17 -","- C268 H352 Cl4 Dy4 N24 Ni8 O68 -","4","1","","Comba, Peter; Enders, Markus; Großhauser, Michael; Hiller, Markus; Müller, Dennis; Wadepohl, Hubert","Solution and solid state structures and magnetism of a series of linear trinuclear compounds with a hexacoordinate Ln(III) and two terminal Ni(II) centers.","Dalton transactions (Cambridge, England : 2003)","2016","46","1","138","149","10.1039/c6dt03488h","","x-ray","0.71073","MoKα","","0.0364","0.0293","","","0.0696","0.0736","","","","","","1.056","","","","has coordinates","191677","2020-10-21","18:00:00",""
"7041285","12.89637","0.00009","22.41","0.00015","23.03847","0.00016","90","","93.3859","0.0006","90","","6646.67","0.08","120","1","120","1","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C66 H84 Cl Dy N6 Ni2 O16 -","- C66 H84 Cl Dy N6 Ni2 O16 -","- C264 H336 Cl4 Dy4 N24 Ni8 O64 -","4","1","","Comba, Peter; Enders, Markus; Großhauser, Michael; Hiller, Markus; Müller, Dennis; Wadepohl, Hubert","Solution and solid state structures and magnetism of a series of linear trinuclear compounds with a hexacoordinate Ln(III) and two terminal Ni(II) centers.","Dalton transactions (Cambridge, England : 2003)","2016","46","1","138","149","10.1039/c6dt03488h","","x-ray","0.71073","MoKα","","0.0431","0.0335","","","0.0737","0.0771","","","","","","1.093","","","","has coordinates","191677","2020-10-21","18:00:00",""
"7041286","12.862","0.008","22.398","0.014","23.026","0.013","90","","93.048","0.009","90","","6624","7","100","2","100","1","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C66 H84 Cl Ho N6 Ni2 O16 -","- C66 H84 Cl Ho N6 Ni2 O16 -","- C264 H336 Cl4 Ho4 N24 Ni8 O64 -","4","1","","Comba, Peter; Enders, Markus; Großhauser, Michael; Hiller, Markus; Müller, Dennis; Wadepohl, Hubert","Solution and solid state structures and magnetism of a series of linear trinuclear compounds with a hexacoordinate Ln(III) and two terminal Ni(II) centers.","Dalton transactions (Cambridge, England : 2003)","2016","46","1","138","149","10.1039/c6dt03488h","","x-ray","0.71073","MoKα","","0.0575","0.0357","","","0.0679","0.0747","","","","","","1.049","","","","has coordinates","191677","2020-10-21","18:00:00",""
"7041287","20.09","0.009","21.331","0.009","17.493","0.007","90","","106.643","0.008","90","","7182","5","100","2","100","1","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C66 H84 Cl Er N6 Ni2 O16 -","- C66 H84 Cl Er N6 Ni2 O16 -","- C264 H336 Cl4 Er4 N24 Ni8 O64 -","4","0.5","","Comba, Peter; Enders, Markus; Großhauser, Michael; Hiller, Markus; Müller, Dennis; Wadepohl, Hubert","Solution and solid state structures and magnetism of a series of linear trinuclear compounds with a hexacoordinate Ln(III) and two terminal Ni(II) centers.","Dalton transactions (Cambridge, England : 2003)","2016","46","1","138","149","10.1039/c6dt03488h","","x-ray","0.71073","MoKα","","0.0432","0.0347","","","0.1004","0.1068","","","","","","1.057","","","","has coordinates,has disorder","191677","2020-10-21","18:00:00",""
"7041288","20.3567","0.0004","23.5628","0.0003","18.081","0.0003","90","","116.335","0.002","90","","7772.7","0.3","120","1","120","1","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C68 H88 Cl5 N6 Ni2 O16 Tm -","- C68 H88 Cl5 N6 Ni2 O16 Tm -","- C272 H352 Cl20 N24 Ni8 O64 Tm4 -","4","1","","Comba, Peter; Enders, Markus; Großhauser, Michael; Hiller, Markus; Müller, Dennis; Wadepohl, Hubert","Solution and solid state structures and magnetism of a series of linear trinuclear compounds with a hexacoordinate Ln(III) and two terminal Ni(II) centers.","Dalton transactions (Cambridge, England : 2003)","2016","46","1","138","149","10.1039/c6dt03488h","","x-ray","1.54184","CuKα","","0.0654","0.0552","","","0.1449","0.1515","","","","","","1.048","","","","has coordinates","191677","2020-10-21","18:00:00",""
"7041289","20.5007","0.0007","23.1939","0.0005","18.0326","0.0005","90","","114.771","0.004","90","","7785.4","0.5","120","1","120","1","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C66 H84 Cl Lu N6 Ni2 O16 -","- C66 H84 Cl Lu N6 Ni2 O16 -","- C264 H336 Cl4 Lu4 N24 Ni8 O64 -","4","1","","Comba, Peter; Enders, Markus; Großhauser, Michael; Hiller, Markus; Müller, Dennis; Wadepohl, Hubert","Solution and solid state structures and magnetism of a series of linear trinuclear compounds with a hexacoordinate Ln(III) and two terminal Ni(II) centers.","Dalton transactions (Cambridge, England : 2003)","2016","46","1","138","149","10.1039/c6dt03488h","","x-ray","0.71073","MoKα","","0.0865","0.0594","","","0.1174","0.1253","","","","","","1.096","","","","has coordinates","191677","2020-10-21","18:00:00",""
"7041327","7.4211","0.0019","7.835","0.002","8.56","0.002","111.251","0.004","98.87","0.004","114.089","0.004","395.88","0.17","301","2","301","2","","","","","","","","4","P -1","-P 1","2","","","","- C4 H6 Gd O8 -","- C4 H6 Gd O8 -","- C8 H12 Gd2 O16 -","2","1","","Liu, Sui-Jun; Cao, Chen; Yao, Shu-Li; Zheng, Teng-Fei; Wang, Zheng-Xiang; Liu, Chao; Liao, Jin-Sheng; Chen, Jing-Lin; Li, Yun-Wu; Wen, He-Rui","Temperature- and vapor-induced reversible single-crystal-to-single-crystal transformations of three 2D/3D Gd(III)-organic frameworks exhibiting significant magnetocaloric effects.","Dalton transactions (Cambridge, England : 2003)","2016","46","1","64","70","10.1039/c6dt03589b","","","0.71073","MoKα","","0.0216","0.0213","","","0.0592","0.0595","","","","","","1.163","","","","has coordinates","191687","2020-10-21","18:00:00",""
"7041328","6.831","0.004","7.534","0.005","7.812","0.005","98.063","0.011","113.748","0.01","110.792","0.011","324.6","0.4","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C4 H4 Gd O7 -","- C4 H4 Gd O7 -","- C8 H8 Gd2 O14 -","2","1","","Liu, Sui-Jun; Cao, Chen; Yao, Shu-Li; Zheng, Teng-Fei; Wang, Zheng-Xiang; Liu, Chao; Liao, Jin-Sheng; Chen, Jing-Lin; Li, Yun-Wu; Wen, He-Rui","Temperature- and vapor-induced reversible single-crystal-to-single-crystal transformations of three 2D/3D Gd(III)-organic frameworks exhibiting significant magnetocaloric effects.","Dalton transactions (Cambridge, England : 2003)","2016","46","1","64","70","10.1039/c6dt03589b","","","0.71073","MoKα","","0.0703","0.0619","","","0.1404","0.1515","","","","","","1.16","","","","has coordinates","191687","2020-10-21","18:00:00",""
"7041329","6.874","0.008","6.987","0.008","7.449","0.008","86.725","0.018","64.422","0.018","67.814","0.017","296.4","0.6","299","2","299","2","","","","","","","","4","P -1","-P 1","2","","","","- C4 H2 Gd O6 -","- C4 H2 Gd O6 -","- C8 H4 Gd2 O12 -","2","1","","Liu, Sui-Jun; Cao, Chen; Yao, Shu-Li; Zheng, Teng-Fei; Wang, Zheng-Xiang; Liu, Chao; Liao, Jin-Sheng; Chen, Jing-Lin; Li, Yun-Wu; Wen, He-Rui","Temperature- and vapor-induced reversible single-crystal-to-single-crystal transformations of three 2D/3D Gd(III)-organic frameworks exhibiting significant magnetocaloric effects.","Dalton transactions (Cambridge, England : 2003)","2016","46","1","64","70","10.1039/c6dt03589b","","","0.71073","MoKα","","0.0814","0.0693","","","0.1525","0.1657","","","","","","1.17","","","","has coordinates","191687","2020-10-21","18:00:00",""
"7041331","8.01","0.0002","11.3652","0.0003","32.3906","0.0008","90","","90","","90","","2948.69","0.13","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C15 H20 N O3 P -","- C15 H20 N O3 P -","- C120 H160 N8 O24 P8 -","8","1","","Shuttleworth, Timothy A.; Miles-Hobbs, Alexandra M; Pringle, Paul G.; Sparkes, Hazel A.","2-Pyridyl substituents enhance the activity of palladium-phospha-adamantane catalysts for the methoxycarbonylation of phenylacetylene.","Dalton transactions (Cambridge, England : 2003)","2016","46","1","125","137","10.1039/c6dt03983a","","","0.71073","MoKα","","0.0337","0.0294","","","0.0736","0.0764","","","","","","1.032","","","","has coordinates","191681","2020-10-21","18:00:00",""
"7041332","8.2419","0.0002","10.5796","0.0003","11.4154","0.0003","117.551","0.0014","91.9459","0.0015","100.851","0.0015","858.31","0.04","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C32 H44 Cl2 N2 O6 P2 Pt -","- C32 H44 Cl2 N2 O6 P2 Pt -","- C32 H44 Cl2 N2 O6 P2 Pt -","1","0.5","","Shuttleworth, Timothy A.; Miles-Hobbs, Alexandra M; Pringle, Paul G.; Sparkes, Hazel A.","2-Pyridyl substituents enhance the activity of palladium-phospha-adamantane catalysts for the methoxycarbonylation of phenylacetylene.","Dalton transactions (Cambridge, England : 2003)","2016","46","1","125","137","10.1039/c6dt03983a","","x-ray","0.71073","MoKα","","0.0273","0.0265","","","0.0466","0.0469","","","","","","1.052","","","","has coordinates","191681","2020-10-21","18:00:00",""
"7041333","8.7414","0.0002","10.2111","0.0003","11.1847","0.0003","64.6586","0.0013","88.5905","0.0015","77.9537","0.0015","880.03","0.04","100","","100","","","","","","","","","7","P -1","-P 1","2","","","","- C32 H44 Cl2 N2 O6 P2 Pt -","- C32 H44 Cl2 N2 O6 P2 Pt -","- C32 H44 Cl2 N2 O6 P2 Pt -","1","0.5","","Shuttleworth, Timothy A.; Miles-Hobbs, Alexandra M; Pringle, Paul G.; Sparkes, Hazel A.","2-Pyridyl substituents enhance the activity of palladium-phospha-adamantane catalysts for the methoxycarbonylation of phenylacetylene.","Dalton transactions (Cambridge, England : 2003)","2016","46","1","125","137","10.1039/c6dt03983a","","","0.71073","MoKα","","0.0227","0.0225","","","0.0565","0.0566","","","","","","1.07","","","","has coordinates","191681","2020-10-21","18:00:00",""
"7041334","8.2583","0.0002","10.6521","0.0003","11.549","0.0003","116.787","0.001","93.687","0.001","98.874","0.001","885.69","0.04","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C32 H38 Cl2 F6 N2 O6 P2 Pt -","- C32 H38 Cl2 F6 N2 O6 P2 Pt -","- C32 H38 Cl2 F6 N2 O6 P2 Pt -","1","0.5","","Shuttleworth, Timothy A.; Miles-Hobbs, Alexandra M; Pringle, Paul G.; Sparkes, Hazel A.","2-Pyridyl substituents enhance the activity of palladium-phospha-adamantane catalysts for the methoxycarbonylation of phenylacetylene.","Dalton transactions (Cambridge, England : 2003)","2016","46","1","125","137","10.1039/c6dt03983a","","","0.71073","MoKα","","0.0185","0.0185","","","0.0445","0.0446","","","","","","1.074","","","","has coordinates","191681","2020-10-21","18:00:00",""
"7041335","8.8531","0.0002","10.6257","0.0003","11.9101","0.0003","79.9244","0.0015","83.9717","0.0015","88.2507","0.0015","1096.92","0.05","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C36 H56 Cl2 N2 O6 P2 Pt Si2 -","- C36 H56 Cl2 N2 O6 P2 Pt Si2 -","- C36 H56 Cl2 N2 O6 P2 Pt Si2 -","1","0.5","","Shuttleworth, Timothy A.; Miles-Hobbs, Alexandra M; Pringle, Paul G.; Sparkes, Hazel A.","2-Pyridyl substituents enhance the activity of palladium-phospha-adamantane catalysts for the methoxycarbonylation of phenylacetylene.","Dalton transactions (Cambridge, England : 2003)","2016","46","1","125","137","10.1039/c6dt03983a","","","0.71073","MoKα","","0.0177","0.0176","","","0.0447","0.0447","","","","","","1.078","","","","has coordinates,has disorder","191681","2020-10-21","18:00:00",""
"7041336","29.1906","0.0014","9.8378","0.0005","13.043","0.0006","90","","90","","90","","3745.6","0.3","100","2","100","2","","","","","","","","9","P c a 21","P 2c -2ac","29","","","","- C31 H42 B Cl3 F4 N2 O6 P2 Pd -","- C31 H42 B Cl3 F4.0003 N2 O6 P2 Pd -","- C124 H168 B4 Cl12 F16.0012 N8 O24 P8 Pd4 -","4","1","","Shuttleworth, Timothy A.; Miles-Hobbs, Alexandra M; Pringle, Paul G.; Sparkes, Hazel A.","2-Pyridyl substituents enhance the activity of palladium-phospha-adamantane catalysts for the methoxycarbonylation of phenylacetylene.","Dalton transactions (Cambridge, England : 2003)","2016","46","1","125","137","10.1039/c6dt03983a","","","0.71073","MoKα","","0.0321","0.027","","","0.0558","0.058","","","","","","1.024","","","","has coordinates,has disorder","191681","2020-10-21","18:00:00",""
"7041337","7.9601","0.0003","14.7432","0.0005","24.8613","0.0008","90","","93.416","0.003","90","","2912.47","0.18","100","","100","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C15 H20 N O3 P -","- C15 H20 N O3 P -","- C120 H160 N8 O24 P8 -","8","1","","Shuttleworth, Timothy A.; Miles-Hobbs, Alexandra M; Pringle, Paul G.; Sparkes, Hazel A.","2-Pyridyl substituents enhance the activity of palladium-phospha-adamantane catalysts for the methoxycarbonylation of phenylacetylene.","Dalton transactions (Cambridge, England : 2003)","2016","46","1","125","137","10.1039/c6dt03983a","","","0.71073","MoKα","","0.0553","0.0367","","","0.0804","0.0881","","","","","","1.023","","","","has coordinates","191681","2020-10-21","18:00:00",""
"7041338","13.9879","0.0008","8.0408","0.0005","25.4615","0.0014","90","","99.511","0.003","90","","2824.4","0.3","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C14 H19 N2 O3 P -","- C14 H19 N2 O3 P -","- C112 H152 N16 O24 P8 -","8","1","","Shuttleworth, Timothy A.; Miles-Hobbs, Alexandra M; Pringle, Paul G.; Sparkes, Hazel A.","2-Pyridyl substituents enhance the activity of palladium-phospha-adamantane catalysts for the methoxycarbonylation of phenylacetylene.","Dalton transactions (Cambridge, England : 2003)","2016","46","1","125","137","10.1039/c6dt03983a","","","0.71073","MoKα","","0.041","0.0328","","","0.0784","0.0834","","","","","","1.028","","","","has coordinates","191681","2020-10-21","18:00:00",""
"7041339","16.3067","0.0005","12.0198","0.0004","7.7629","0.0003","90","","92.552","0.002","90","","1520.04","0.09","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H22 N O3 P -","- C16 H22 N O3 P -","- C64 H88 N4 O12 P4 -","4","1","","Shuttleworth, Timothy A.; Miles-Hobbs, Alexandra M; Pringle, Paul G.; Sparkes, Hazel A.","2-Pyridyl substituents enhance the activity of palladium-phospha-adamantane catalysts for the methoxycarbonylation of phenylacetylene.","Dalton transactions (Cambridge, England : 2003)","2016","46","1","125","137","10.1039/c6dt03983a","","","0.71073","MoKα","","0.0378","0.0323","","","0.0796","0.0832","","","","","","1.04","","","","has coordinates","191681","2020-10-21","18:00:00",""
"7041340","8.0709","0.0008","9.29","0.0009","11.0652","0.001","78.954","0.007","84.366","0.007","76.677","0.007","791.1","0.13","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H22 N O3 P -","- C16 H22 N O3 P -","- C32 H44 N2 O6 P2 -","2","1","","Shuttleworth, Timothy A.; Miles-Hobbs, Alexandra M; Pringle, Paul G.; Sparkes, Hazel A.","2-Pyridyl substituents enhance the activity of palladium-phospha-adamantane catalysts for the methoxycarbonylation of phenylacetylene.","Dalton transactions (Cambridge, England : 2003)","2016","46","1","125","137","10.1039/c6dt03983a","","","0.71073","MoKα","","0.0549","0.0424","","","0.1036","0.1109","","","","","","1.035","","","","has coordinates","191681","2020-10-21","18:00:00",""
"7041341","7.5819","0.0009","10.5008","0.0012","22.185","0.003","90","","99.305","0.005","90","","1743","0.4","170","","170","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C16 H19 F3 N O3 P -","- C16 H19 F3 N O3 P -","- C64 H76 F12 N4 O12 P4 -","4","1","","Shuttleworth, Timothy A.; Miles-Hobbs, Alexandra M; Pringle, Paul G.; Sparkes, Hazel A.","2-Pyridyl substituents enhance the activity of palladium-phospha-adamantane catalysts for the methoxycarbonylation of phenylacetylene.","Dalton transactions (Cambridge, England : 2003)","2016","46","1","125","137","10.1039/c6dt03983a","","","1.54178","CuKα","","0.0463","0.0431","","","0.1099","0.1133","","","","","","1.04","","","","has coordinates,has disorder","191681","2020-10-21","18:00:00",""
"7041342","35.1058","0.0014","7.3422","0.0003","13.5142","0.0006","90","","105.839","0.003","90","","3351.1","0.2","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C16 H19 F3 N O3 P -","- C16 H19 F3 N O3 P -","- C128 H152 F24 N8 O24 P8 -","8","1","","Shuttleworth, Timothy A.; Miles-Hobbs, Alexandra M; Pringle, Paul G.; Sparkes, Hazel A.","2-Pyridyl substituents enhance the activity of palladium-phospha-adamantane catalysts for the methoxycarbonylation of phenylacetylene.","Dalton transactions (Cambridge, England : 2003)","2016","46","1","125","137","10.1039/c6dt03983a","","","0.71073","MoKα","","0.04","0.0328","","","0.0817","0.0862","","","","","","1.034","","","","has coordinates","191681","2020-10-21","18:00:00",""
"7041343","9.2174","0.0004","11.5325","0.0005","18.796","0.0007","90","","99.645","0.002","90","","1969.77","0.14","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C18 H28 N O3 P Si -","- C18 H28 N O3 P Si -","- C72 H112 N4 O12 P4 Si4 -","4","1","","Shuttleworth, Timothy A.; Miles-Hobbs, Alexandra M; Pringle, Paul G.; Sparkes, Hazel A.","2-Pyridyl substituents enhance the activity of palladium-phospha-adamantane catalysts for the methoxycarbonylation of phenylacetylene.","Dalton transactions (Cambridge, England : 2003)","2016","46","1","125","137","10.1039/c6dt03983a","","","0.71073","MoKα","","0.0373","0.0299","","","0.0733","0.0778","","","","","","1.047","","","","has coordinates","191681","2020-10-21","18:00:00",""
"7041344","11.9811","0.0008","12.8561","0.0011","12.8375","0.001","90","","90","","90","","1977.4","0.3","100","2","100","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C18 H28 N O3 P Si -","- C18 H28 N O3 P Si -","- C72 H112 N4 O12 P4 Si4 -","4","1","","Shuttleworth, Timothy A.; Miles-Hobbs, Alexandra M; Pringle, Paul G.; Sparkes, Hazel A.","2-Pyridyl substituents enhance the activity of palladium-phospha-adamantane catalysts for the methoxycarbonylation of phenylacetylene.","Dalton transactions (Cambridge, England : 2003)","2016","46","1","125","137","10.1039/c6dt03983a","","","0.71073","MoKα","","0.0436","0.0385","","","0.0926","0.0963","","","","","","1.044","","","","has coordinates","191681","2020-10-21","18:00:00",""
"7054917","18.6008","0.001","9.9127","0.0005","18.2252","0.0009","90","","90","","90","","3360.4","0.3","150","0.2","150","0.2","","","","","","","","7","P n m a","-P 2ac 2n","62","","","","- C8 H40 N2 Na2 O27 V2 W4 -","- C8 H24 N2 Na2 O27 V2 W4 -","- C32 H96 N8 Na8 O108 V8 W16 -","4","0.5","","Abramov, Pavel A.; Peresypkina, Eugenia V.; Izarova, Natalia V.; Vicent, Cristian; Zhdanov, Artem A.; Kompankov, Nikolay B.; Gutsul, Tatiana; Sokolov, Maxim N.","Polyoxoanions assembled by the condensation of vanadate, tungstate and selenite: solution studies and crystal structures of the mixed metal derivatives (NMe4)2Na2[WVI4VV2O19]·8H2O and (NMe4)4.83[(SeIVWVI4.57VV4.43O33)2(WVI(O)(H2O))(VVO)2.6]·10.57H2O","New J. Chem.","2016","40","2","937","","10.1039/C5NJ00858A","","","0.71073","MoKα","","0.0569","0.0513","","","0.107","0.1095","","","","","","1.188","","","","has coordinates","177892","2020-10-21","18:00:00",""
"7054918","19.4257","0.0011","21.2136","0.0011","12.9194","0.0006","90","","90","","90","","5323.9","0.5","150","2","150","2","","","","","","","","7","P n n 2","P 2 -2n","34","","","","- C19.32 H81.1 N4.83 O81.17 Se2 V11.46 W10.14 -","- C19.32 H57.96 N4.83 O81.17 Se2 V11.46 W10.14 -","- C38.64 H115.92 N9.66 O162.34 Se4 V22.92 W20.28 -","2","0.5","","Abramov, Pavel A.; Peresypkina, Eugenia V.; Izarova, Natalia V.; Vicent, Cristian; Zhdanov, Artem A.; Kompankov, Nikolay B.; Gutsul, Tatiana; Sokolov, Maxim N.","Polyoxoanions assembled by the condensation of vanadate, tungstate and selenite: solution studies and crystal structures of the mixed metal derivatives (NMe4)2Na2[WVI4VV2O19]·8H2O and (NMe4)4.83[(SeIVWVI4.57VV4.43O33)2(WVI(O)(H2O))(VVO)2.6]·10.57H2O","New J. Chem.","2016","40","2","937","","10.1039/C5NJ00858A","","","1.54178","CuKα","","0.0693","0.0499","","","0.1306","0.1464","","","","","","1.062","","","","has coordinates,has disorder","192777","2020-10-21","18:00:00",""
"7054981","16.709","0.003","20.059","0.004","31.916","0.006","90","","90","","90","","10697","4","296","2","296","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C35 H78 Cl Mo6 N3 O18 -","- C35 H78 Cl Mo6 N3 O18 -","- C280 H624 Cl8 Mo48 N24 O144 -","8","1","","Li, Qiang; Zhang, Jin; Wang, Longsheng; Hao, Jian; Yin, Panchao; Wei, Yongge","Nucleophilic substitution reaction for rational post-functionalization of polyoxometalates","New J. Chem.","2016","40","2","906","","10.1039/C5NJ01090J","","","0.71073","MoKα","","0.0686","0.0565","","","0.1417","0.1487","","","","","","1.044","","","","has coordinates,has disorder","177884","2020-10-21","18:00:00",""
"7054982","16.882","0.003","20.088","0.004","31.929","0.006","90","","90","","90","","10828","4","296","2","296","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C35 H78 I Mo6 N3 O18 -","- C35 H78 I Mo6 N3 O18 -","- C280 H624 I8 Mo48 N24 O144 -","8","1","","Li, Qiang; Zhang, Jin; Wang, Longsheng; Hao, Jian; Yin, Panchao; Wei, Yongge","Nucleophilic substitution reaction for rational post-functionalization of polyoxometalates","New J. Chem.","2016","40","2","906","","10.1039/C5NJ01090J","","","0.71073","MoKα","","0.0883","0.0657","","","0.142","0.1528","","","","","","1.114","","","","has coordinates,has disorder","177884","2020-10-21","18:00:00",""
"7054983","16.779","0.003","20.069","0.004","31.884","0.006","90","","90","","90","","10737","4","296","2","296","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C35 H78 Cl0.5 Mo6 N3.5 O19.5 -","- C35 H78 Cl0.5 Mo6 N3.5 O19.5 -","- C280 H624 Cl4 Mo48 N28 O156 -","8","1","","Li, Qiang; Zhang, Jin; Wang, Longsheng; Hao, Jian; Yin, Panchao; Wei, Yongge","Nucleophilic substitution reaction for rational post-functionalization of polyoxometalates","New J. Chem.","2016","40","2","906","","10.1039/C5NJ01090J","","","0.71073","MoKα","","0.068","0.0583","","","0.1299","0.1343","","","","","","1.051","","","","has coordinates,has disorder","177884","2020-10-21","18:00:00",""
"7055079","7.4955","0.0011","7.5254","0.0011","12.0645","0.0017","80.285","0.002","86.767","0.002","67.729","0.002","620.7","0.16","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","ethyl (2Z)-3-[(4-bromophenyl)amino]-2-cyanoprop-2-enoate","","- C12 H11 Br N2 O2 -","- C12 H11 Br N2 O2 -","- C24 H22 Br2 N4 O4 -","2","1","","Zhang, Zhenfeng; Ma, Nana; Xuan, Xiaopeng","An unusual CC⋯CO interaction in (Z)-3-[(4-halogenphenyl)amino]-2-cyanoprop-2-enoates","New J. Chem.","2016","40","1","85","","10.1039/C5NJ01814E","","","0.71073","MoKα","","0.0394","0.0309","","","0.0736","0.077","","","","","","1.07","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7055111","9.994","0.002","10.49","0.003","16.062","0.004","103.726","0.007","94.369","0.007","98.139","0.007","1608.7","0.7","90","","90","","","","","","","","","4","P -1","-P 1","2","PhTPDC","","","- C40 H34 O6 S2 -","- C40 H34 O6 S2 -","- C80 H68 O12 S4 -","2","1","","Walton, Ian M.; Cox, Jordan M.; Benson, Cassidy A.; Patel, Dinesh (Dan) G.; Chen, Yu-Sheng; Benedict, Jason B.","The role of atropisomers on the photo-reactivity and fatigue of diarylethene-based metal‒organic frameworks","New J. Chem.","2016","40","1","101","","10.1039/C5NJ01718A","","x-ray","0.71073","MoKα","","0.1125","0.0645","","","0.1521","0.1789","","","","","","1.014","","","","has coordinates","176129","2020-10-21","18:00:00",""
"7055112","34.001","0.003","34.001","0.003","34.001","0.003","90","","90","","90","","39307","6","100","","100","","","","","","","","","4","F m -3 m","-F 4 2 3","225","UBMOF-2","","","- C12 H3 O3.25 Zn -","- C10.5 H2.25 O3.25 Zn -","- C336 H72 O104 Zn32 -","32","0.166667","","Walton, Ian M.; Cox, Jordan M.; Benson, Cassidy A.; Patel, Dinesh (Dan) G.; Chen, Yu-Sheng; Benedict, Jason B.","The role of atropisomers on the photo-reactivity and fatigue of diarylethene-based metal‒organic frameworks","New J. Chem.","2016","40","1","101","","10.1039/C5NJ01718A","","","0.71073","MoKα","","0.0956","0.0874","","","0.2643","0.2732","","","","","","1.149","","","","has coordinates","176129","2020-10-21","18:00:00",""
"7055144","7.8969","0.0002","9.4631","0.0003","9.992","0.0003","74.851","0.003","89.546","0.003","84.803","0.0019","717.69","0.04","150","1","150","1","","","","","","","","4","P -1","-P 1","2","","","","- C16 H14 Mo O4 -","- C16 H14 Mo O4 -","- C32 H28 Mo2 O8 -","2","1","","Honzíčková, Iva; Vinklárek, Jaromír; Romão, Carlos C.; Růžičková, Zdeňka; Honzíček, Jan","Novel indenyl ligands bearing electron-withdrawing functional groups","New J. Chem.","2016","40","1","245","","10.1039/C5NJ02406D","","","0.71073","MoKα","","0.0216","0.0202","","","0.0523","0.0534","","","","","","1.107","","","","has coordinates,has disorder","176134","2020-10-21","18:00:00",""
"7055145","7.721","0.0006","15.632","0.0012","23.2461","0.0018","90","","90","","90","","2805.7","0.4","150","1","150","1","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C16 H14 Mo O3 -","- C16 H14 Mo O3 -","- C128 H112 Mo8 O24 -","8","1","","Honzíčková, Iva; Vinklárek, Jaromír; Romão, Carlos C.; Růžičková, Zdeňka; Honzíček, Jan","Novel indenyl ligands bearing electron-withdrawing functional groups","New J. Chem.","2016","40","1","245","","10.1039/C5NJ02406D","","","0.71073","MoKα","","0.0469","0.0292","","","0.0597","0.0685","","","","","","1.083","","","","has coordinates","176134","2020-10-21","18:00:00",""
"7055146","10.229","0.0003","8.629","0.0007","21.3501","0.0013","90","","110.029","0.004","90","","1770.51","0.19","150","1","150","1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H16 Mo O4 -","- C22 H16 Mo O4 -","- C88 H64 Mo4 O16 -","4","1","","Honzíčková, Iva; Vinklárek, Jaromír; Romão, Carlos C.; Růžičková, Zdeňka; Honzíček, Jan","Novel indenyl ligands bearing electron-withdrawing functional groups","New J. Chem.","2016","40","1","245","","10.1039/C5NJ02406D","","","0.71073","MoKα","","0.034","0.0244","","","0.0522","0.0577","","","","","","1.087","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7055147","15.7229","0.0006","10.526","0.0004","10.5021","0.0007","90","","96.03","0.007","90","","1728.47","0.15","150","1","150","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H21 Mo N O3 -","- C19 H21 Mo N O3 -","- C76 H84 Mo4 N4 O12 -","4","1","","Honzíčková, Iva; Vinklárek, Jaromír; Romão, Carlos C.; Růžičková, Zdeňka; Honzíček, Jan","Novel indenyl ligands bearing electron-withdrawing functional groups","New J. Chem.","2016","40","1","245","","10.1039/C5NJ02406D","","","0.71073","MoKα","","0.0351","0.027","","","0.0637","0.0691","","","","","","1.105","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7055148","15.0282","0.0004","7.542","0.0002","14.8454","0.0005","90","","91.901","0.002","90","","1681.69","0.08","150","1","150","1","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C11 H10 O -","- C11 H10 O -","- C88 H80 O8 -","8","1","","Honzíčková, Iva; Vinklárek, Jaromír; Romão, Carlos C.; Růžičková, Zdeňka; Honzíček, Jan","Novel indenyl ligands bearing electron-withdrawing functional groups","New J. Chem.","2016","40","1","245","","10.1039/C5NJ02406D","","","0.71073","MoKα","","0.0708","0.0462","","","0.1032","0.12","","","","","","1.125","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7055149","7.002","0.0006","8.928","0.0006","17.3821","0.0007","75.562","0.005","85.442","0.006","74.224","0.006","1012.59","0.12","150","1","150","1","","","","","","","","6","P -1","-P 1","2","","","","- C22 H20 Cl Mo N O4 -","- C22 H20 Cl Mo N O4 -","- C44 H40 Cl2 Mo2 N2 O8 -","2","1","","Honzíčková, Iva; Vinklárek, Jaromír; Romão, Carlos C.; Růžičková, Zdeňka; Honzíček, Jan","Novel indenyl ligands bearing electron-withdrawing functional groups","New J. Chem.","2016","40","1","245","","10.1039/C5NJ02406D","","","0.71073","MoKα","","0.0401","0.0303","","","0.0635","0.068","","","","","","1.073","","","","has coordinates","176134","2020-10-21","18:00:00",""
"7055150","13.471","0.003","14.06","0.003","18.498","0.004","106.035","0.003","103.8","0.003","92.507","0.003","3247.4","1.2","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C126 H108 B2 Fe2 Mn2 N26 O2 -","- C124.428 H101.284 B2 Fe2 Mn2 N26 O2 -","- C124.428 H101.284 B2 Fe2 Mn2 N26 O2 -","1","0.5","","Gao, Feng; Zhu, Guang-Zhou; Yang, Liu; Yao, Min-Xia","Cyanide-bridged heterobimetallic magnetic complexes based on metalloporphyrinate and tricyanometalate building blocks","New J. Chem.","2016","40","1","365","","10.1039/C5NJ02132D","","","0.71073","MoKα","","0.0727","0.0575","","","0.1879","0.2004","","","","","","1.104","","","","has coordinates,has disorder","176126","2020-10-21","18:00:00",""
"7055151","19.758","0.003","12.4162","0.0017","22.828","0.003","90","","105.308","0.002","90","","5401.5","1.3","296","2","296","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C114 H82.55 B2 Cr2 Mn2 N26 O2.28 -","- C113.726 H81.1768 B2 Cr2 Mn2 N26 O2.2744 -","- C227.451 H162.354 B4 Cr4 Mn4 N52 O4.5488 -","2","0.5","","Gao, Feng; Zhu, Guang-Zhou; Yang, Liu; Yao, Min-Xia","Cyanide-bridged heterobimetallic magnetic complexes based on metalloporphyrinate and tricyanometalate building blocks","New J. Chem.","2016","40","1","365","","10.1039/C5NJ02132D","","","0.71073","MoKα","","0.0762","0.0623","","","0.1737","0.1843","","","","","","1.066","","","","has coordinates,has disorder","176126","2020-10-21","18:00:00",""
"7055152","20.928","0.007","14.437","0.004","20.777","0.006","90","","105.019","0.003","90","","6063","3","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C58 H46 B Fe Mn N17 -","- C58 H46 B Fe Mn N17 -","- C232 H184 B4 Fe4 Mn4 N68 -","4","1","","Gao, Feng; Zhu, Guang-Zhou; Yang, Liu; Yao, Min-Xia","Cyanide-bridged heterobimetallic magnetic complexes based on metalloporphyrinate and tricyanometalate building blocks","New J. Chem.","2016","40","1","365","","10.1039/C5NJ02132D","","","0.71073","MoKα","","0.1345","0.1146","","","0.2569","0.2674","","","","","","1.021","","","","has coordinates","176126","2020-10-21","18:00:00",""
"7055153","6.9244","0.0012","7.3583","0.0012","9.5353","0.0016","105.537","0.003","102.545","0.003","110.219","0.003","412.65","0.12","203","2","203","2","","","","","","","","5","P -1","-P 1","2","","","","- C8 H22 Co N8 O10 -","- C8 H20 Co N8 O10 -","- C8 H20 Co N8 O10 -","1","0.5","","Selvakumar, Rajendran; Geib, Steven J.; Premkumar, Thathan; Vairam, Sundararajan; Govindarajan, Subbiah","Isomorphic metal malonates with N-aminoguanidine: MCo2O4(M = Ni & Zn) nanoparticle synthesis via a (AmgH)2[M1/3Co2/3(mal)2(H2O)2] precursor solid solution","New J. Chem.","2016","40","1","257","","10.1039/C5NJ01134E","","","0.71073","MoKα","","0.0333","0.0304","","","0.0891","0.0925","","","","","","0.885","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7055154","6.881","0.004","7.283","0.004","9.541","0.005","105.601","0.01","102.526","0.01","109.834","0.01","407.4","0.4","203","2","203","2","","","","","","","","5","P -1","-P 1","2","","","","- C8 H22 N8 Ni O10 -","- C8 H22 N8 Ni O10 -","- C8 H22 N8 Ni O10 -","1","0.5","","Selvakumar, Rajendran; Geib, Steven J.; Premkumar, Thathan; Vairam, Sundararajan; Govindarajan, Subbiah","Isomorphic metal malonates with N-aminoguanidine: MCo2O4(M = Ni & Zn) nanoparticle synthesis via a (AmgH)2[M1/3Co2/3(mal)2(H2O)2] precursor solid solution","New J. Chem.","2016","40","1","257","","10.1039/C5NJ01134E","","","0.71073","MoKα","","0.0949","0.0667","","","0.1499","0.1637","","","","","","1.088","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7055155","6.9096","0.001","7.3355","0.001","9.5299","0.0013","105.577","0.002","102.494","0.002","110.156","0.002","410.52","0.1","203","2","203","2","","","","","","","","6","P -1","-P 1","2","","","","- C8 H22 Co0.5 N8 Ni0.5 O10 -","- C8 H22 Co0.5 N8 Ni0.5 O10 -","- C8 H22 Co0.5 N8 Ni0.5 O10 -","1","0.5","","Selvakumar, Rajendran; Geib, Steven J.; Premkumar, Thathan; Vairam, Sundararajan; Govindarajan, Subbiah","Isomorphic metal malonates with N-aminoguanidine: MCo2O4(M = Ni & Zn) nanoparticle synthesis via a (AmgH)2[M1/3Co2/3(mal)2(H2O)2] precursor solid solution","New J. Chem.","2016","40","1","257","","10.1039/C5NJ01134E","","","0.71073","MoKα","","0.0318","0.0304","","","0.0888","0.0914","","","","","","0.944","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7055156","12.9196","0.0003","13.3903","0.0003","25.3747","0.0004","90","","95.496","0.001","90","","4369.57","0.16","123","2","123","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C47 H53 Cl N4 O P2 Pd -","- C47 H53 Cl N4 O P2 Pd -","- C188 H212 Cl4 N16 O4 P8 Pd4 -","4","1","","Kinzhalov, Mikhail A.; Novikov, Alexander S.; Luzyanin, Konstantin V.; Haukka, Matti; Pombeiro, Armando J. L.; Kukushkin, Vadim Yu.","PdII-mediated integration of isocyanides and azide ions might proceed via formal 1,3-dipolar cycloaddition between RNC ligands and uncomplexed azide","New J. Chem.","2016","40","1","521","","10.1039/C5NJ02564H","","","0.71073","MoKα","","0.0549","0.0411","","","0.086","0.093","","","","","","1.06","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7055158","19.2231","0.0002","11.34721","0.00013","64.2553","0.0009","90","","92.2457","0.0011","90","","14005.2","0.3","200","","200","","","","101","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C72 H78 O8 S8 -","- C72 H78 O8 S8 -","- C576 H624 O64 S64 -","8","1","","Botha, F.; Eigner, V.; Dvořáková, H.; Lhoták, P.","Arylation of thiacalix[4]arenes using organomercurial intermediates","New J. Chem.","2016","40","2","1104","","10.1039/C5NJ02427G","","","1.54184","CuKα","","0.0618","0.0539","","0.133","0.1201","0.1326","","","","","","0.9927","","","","has coordinates,has disorder","177898","2020-10-21","18:00:00",""
"7055159","19.8323","0.0003","10.8754","0.0002","37.256","0.0007","90","","101.47","0.0017","90","","7875","0.2","120","","120","","","","101","","","","","5","I 1 2/c 1","-I 2yc","15","","","","- C42 H43 N O6 S4 -","- C42 H43 N O6 S4 -","- C336 H344 N8 O48 S32 -","8","1","","Botha, F.; Eigner, V.; Dvořáková, H.; Lhoták, P.","Arylation of thiacalix[4]arenes using organomercurial intermediates","New J. Chem.","2016","40","2","1104","","10.1039/C5NJ02427G","","","1.54184","CuKα","","0.084","0.077","","0.1058","0.1037","0.1057","","","","","","0.9685","","","","has coordinates,has disorder","177898","2020-10-21","18:00:00",""
"7055160","19.3452","0.0006","9.1412","0.0003","19.3696","0.0007","90","","95.901","0.003","90","","3407.1","0.2","200","","200","","","","101","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C72 H78 O8 S8 -","- C72 H78 O8 S8 -","- C144 H156 O16 S16 -","2","0.5","","Botha, F.; Eigner, V.; Dvořáková, H.; Lhoták, P.","Arylation of thiacalix[4]arenes using organomercurial intermediates","New J. Chem.","2016","40","2","1104","","10.1039/C5NJ02427G","","","1.5418","CuKα","","0.0826","0.0632","","0.1804","0.1478","0.1804","","","","","","0.9939","","","","has coordinates,has disorder","177898","2020-10-21","18:00:00",""
"7055161","19.887","0.0006","10.9789","0.0002","20.3062","0.0006","90","","117.855","0.004","90","","3919.9","0.2","190","","190","","","","101","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C42 H43 N O6 S4 -","- C42 H43 N O6 S4 -","- C168 H172 N4 O24 S16 -","4","1","","Botha, F.; Eigner, V.; Dvořáková, H.; Lhoták, P.","Arylation of thiacalix[4]arenes using organomercurial intermediates","New J. Chem.","2016","40","2","1104","","10.1039/C5NJ02427G","","","1.5418","CuKα","","0.062","0.0533","","0.1315","0.1218","0.1315","","","","","","0.8997","","","","has coordinates,has disorder","177898","2020-10-21","18:00:00",""
"7055162","19.0018","0.0005","46.9211","0.0012","9.3659","0.0003","90","","90","","90","","8350.5","0.4","190","","190","","","","101","","","","","5","P n 21 a","P -2ac -2n","33","","","","- C86 H89 N3 O12 S8 -","- C86 H89 N3 O12 S8 -","- C344 H356 N12 O48 S32 -","4","1","","Botha, F.; Eigner, V.; Dvořáková, H.; Lhoták, P.","Arylation of thiacalix[4]arenes using organomercurial intermediates","New J. Chem.","2016","40","2","1104","","10.1039/C5NJ02427G","","","1.54184","CuKα","","0.0628","0.0526","","0.1386","0.123","0.1384","","","","","","0.9025","","","","has coordinates,has disorder","177898","2020-10-21","18:00:00",""
"7055163","9.562","0.005","19.281","0.005","23.109","0.005","79.293","0.005","83.66","0.005","77.619","0.005","4078","3","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C37 H51 Cl2 Mo N5 O S2 Se -","- C37 H51 Cl2 Mo N5 O S2 Se -","- C148 H204 Cl8 Mo4 N20 O4 S8 Se4 -","4","2","","Mitra, Joyee; Sarkar, Sabyasachi","Photoinduced electron transfer from the oxo‒MoIVselenolato complex to oxygen","New J. Chem.","2016","40","1","626","","10.1039/C5NJ02494C","","","0.71069","MoKα","","0.1092","0.0713","","","0.1935","0.29","","","","","","1.021","","","","has coordinates","176124","2020-10-21","18:00:00",""
"7055164","9.288","0.005","11.771","0.005","19.492","0.005","83.3","0.005","84.385","0.005","83.738","0.005","2096","1.5","100","2","100","2","","","","","","","","8","P -1","-P 1","2","[NBu4][OMo(phen)(SePh)(mnt)].CH2Cl2","","","- C39 H51 Cl2 Mo N5 O S2 Se -","- C39 H51 Cl2 Mo N5 O S2 Se -","- C78 H102 Cl4 Mo2 N10 O2 S4 Se2 -","2","1","","Mitra, Joyee; Sarkar, Sabyasachi","Photoinduced electron transfer from the oxo‒MoIVselenolato complex to oxygen","New J. Chem.","2016","40","1","626","","10.1039/C5NJ02494C","","","0.71069","MoKα","","0.1068","0.0806","","","0.2377","0.3139","","","","","","1.272","","","","has coordinates","176124","2020-10-21","18:00:00",""
"7055165","8.54","0.002","9.813","0.003","11.707","0.003","82.404","0.004","73.547","0.004","68.028","0.004","872.2","0.4","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H15 N2 O12 V -","- C14 H15 N2 O12 V -","- C28 H30 N4 O24 V2 -","2","1","","Feng, Xiao Dong; Zhang, Xiao Xi; Wang, Zhi Nan; Song, Jian; Xing, Yong Heng; Bai, Feng Ying","Mimicking vanadium haloperoxidases: vanadium(iii)‒carboxylic acid complexes and their application in H2O2detection","New J. Chem.","2016","40","2","1222","","10.1039/C5NJ01905B","","","0.71073","MoKα","","0.0835","0.0555","","","0.1371","0.1534","","","","","","1.044","","","","has coordinates","177888","2020-10-21","18:00:00",""
"7055166","15.3219","0.0017","17.734","0.002","6.6947","0.0008","90","","90.641","0.002","90","","1819","0.4","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C15 H11 F3 N O9 V -","- C15 H11 F3 N O9 V -","- C60 H44 F12 N4 O36 V4 -","4","1","","Feng, Xiao Dong; Zhang, Xiao Xi; Wang, Zhi Nan; Song, Jian; Xing, Yong Heng; Bai, Feng Ying","Mimicking vanadium haloperoxidases: vanadium(iii)‒carboxylic acid complexes and their application in H2O2detection","New J. Chem.","2016","40","2","1222","","10.1039/C5NJ01905B","","","0.71073","MoKα","","0.0567","0.0387","","","0.0975","0.1066","","","","","","1.037","","","","has coordinates,has disorder","177888","2020-10-21","18:00:00",""
"7055167","10.66","0.0002","10.758","0.0002","13.6855","0.0003","106.201","0.002","95.799","0.002","119.067","0.002","1263.9","0.06","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C16 H24 Ag2 Cl2 N8 O12 -","- C16 H24 Ag2 Cl2 N8 O12 -","- C32 H48 Ag4 Cl4 N16 O24 -","2","1","","Kalinowska-Lis, Urszula; Felczak, Aleksandra; Chęcińska, Lilianna; Małecka, Magdalena; Lisowska, Katarzyna; Ochocki, Justyn","Influence of selected inorganic counter-ions on the structure and antimicrobial properties of silver(i) complexes with imidazole-containing ligands","New J. Chem.","2016","40","1","694","","10.1039/C5NJ02514A","","","0.71073","MoKα","","0.0179","0.0169","","","0.0456","0.0463","","","","","","1.096","","","","has coordinates","208944","2020-10-21","18:00:00",""
"7055168","7.7766","0.0002","15.2479","0.0003","11.6266","0.0002","90","","97.599","0.002","90","","1366.54","0.05","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C20 H24 Ag2 F6 N8 O8 -","- C20 H24 Ag2 F6 N8 O8 -","- C40 H48 Ag4 F12 N16 O16 -","2","0.5","","Kalinowska-Lis, Urszula; Felczak, Aleksandra; Chęcińska, Lilianna; Małecka, Magdalena; Lisowska, Katarzyna; Ochocki, Justyn","Influence of selected inorganic counter-ions on the structure and antimicrobial properties of silver(i) complexes with imidazole-containing ligands","New J. Chem.","2016","40","1","694","","10.1039/C5NJ02514A","","","0.71073","MoKα","","0.0286","0.0283","","","0.0665","0.0667","","","","","","1.142","","","","has coordinates,has disorder","176132","2020-10-21","18:00:00",""
"7055169","7.9688","0.0003","9.2044","0.0002","9.3306","0.0003","73.719","0.003","76.471","0.003","74.445","0.002","623.48","0.04","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C16 H24 Ag2 B2 F8 N8 O4 -","- C16 H24 Ag2 B2 F8 N8 O4 -","- C16 H24 Ag2 B2 F8 N8 O4 -","1","0.5","","Kalinowska-Lis, Urszula; Felczak, Aleksandra; Chęcińska, Lilianna; Małecka, Magdalena; Lisowska, Katarzyna; Ochocki, Justyn","Influence of selected inorganic counter-ions on the structure and antimicrobial properties of silver(i) complexes with imidazole-containing ligands","New J. Chem.","2016","40","1","694","","10.1039/C5NJ02514A","","","0.71073","MoKα","","0.0217","0.021","","","0.0492","0.0497","","","","","","1.055","","","","has coordinates,has disorder","176132","2020-10-21","18:00:00",""
"7055170","17.7272","0.0003","10.9714","0.0002","10.2468","0.0002","90","","97.6257","0.0019","90","","1975.3","0.06","150","2","150","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C19 H16 Cl N2 O3 P S -","- C19 H16 Cl N2 O3 P S -","- C76 H64 Cl4 N8 O12 P4 S4 -","4","1","","Babashkina, Maria G.; Robeyns, Koen; Filinchuk, Yaroslav; Safin, Damir A.","Detailed studies of the interaction of 3-chloroaniline with O,O′-diphenylphosphorylisothiocyanate","New J. Chem.","2016","40","2","1230","","10.1039/C5NJ02588E","","","0.71073","MoKα","","0.042","0.0387","","","0.0932","0.0951","","","","","","1.039","","","","has coordinates,has disorder","177896","2020-10-21","18:00:00",""
"7055171","15.742","0.004","7.7102","0.0009","7.0694","0.0012","90","","99.36","0.02","90","","846.6","0.3","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C7 H7 Cl N2 S -","- C7 H7 Cl N2 S -","- C28 H28 Cl4 N8 S4 -","4","1","","Babashkina, Maria G.; Robeyns, Koen; Filinchuk, Yaroslav; Safin, Damir A.","Detailed studies of the interaction of 3-chloroaniline with O,O′-diphenylphosphorylisothiocyanate","New J. Chem.","2016","40","2","1230","","10.1039/C5NJ02588E","","","0.71073","MoKα","","0.1194","0.0928","","","0.2066","0.2191","","","","","","1.084","","","","has coordinates","177896","2020-10-21","18:00:00",""
"7055172","6.7856","0.0006","11.797","0.005","15.113","0.004","67.8","0.03","80.388","0.017","74.82","0.02","1077.9","0.6","297","2","297","2","","","","","","","","6","P -1","-P 1","2","","","","- C21 H20 Cl N O4 P -","- C21 H20 Cl N O4 P -","- C42 H40 Cl2 N2 O8 P2 -","2","1","","Babashkina, Maria G.; Robeyns, Koen; Filinchuk, Yaroslav; Safin, Damir A.","Detailed studies of the interaction of 3-chloroaniline with O,O′-diphenylphosphorylisothiocyanate","New J. Chem.","2016","40","2","1230","","10.1039/C5NJ02588E","","","0.71073","MoKα","","0.0576","0.0471","","","0.1293","0.1417","","","","","","1.049","","","","has coordinates","177896","2020-10-21","18:00:00",""
"7055173","8.4353","0.0004","14.9782","0.0009","11.5168","0.0008","90","","104.453","0.006","90","","1409.05","0.15","297","2","297","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C13 H15 Cl N2 S -","- C13 H15 Cl N2 S -","- C52 H60 Cl4 N8 S4 -","4","1","","Babashkina, Maria G.; Robeyns, Koen; Filinchuk, Yaroslav; Safin, Damir A.","Detailed studies of the interaction of 3-chloroaniline with O,O′-diphenylphosphorylisothiocyanate","New J. Chem.","2016","40","2","1230","","10.1039/C5NJ02588E","","","0.71073","MoKα","","0.0783","0.0552","","","0.1681","0.1878","","","","","","1.005","","","","has coordinates","177896","2020-10-21","18:00:00",""
"7055174","17.9949","0.0007","17.9949","0.0007","64.9775","0.0008","90","","90","","120","","18221.9","1","291","2","291","2","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","compoud 1","","- C27.5 H26.9 Cd N2.5 O10 -","- C26 H20 Cd N2 O8 -","- C468 H360 Cd18 N36 O144 -","18","0.5","","Su, Jian; Yao, Liudi; Zhang, Jun; Yuan, Shizhen; Xie, Fazhi; Ding, Yi; Zhao, Meng; Wang, Shichao; Li, Hao; Zhang, Shengyi; Wu, Jieying; Tian, Yupeng","A novel 2D infinite M3L2cage-based Cd(ii) microporous coordination polymer with a tripodal carboxylic acid ligand and solvent-dependent luminescence properties","New J. Chem.","2016","40","1","97","","10.1039/C5NJ02144H","","","0.71073","MoKα","","0.1388","0.0626","","","0.1909","0.2203","","","","","","1.012","","","","has coordinates,has disorder","176128","2020-10-21","18:00:00",""
"7055175","12.985","0.0003","13.0948","0.0003","16.3926","0.0004","93.7823","0.0019","103.688","0.002","100.746","0.002","2642.92","0.11","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C70 H53 N3 O3 -","- C70 H53 N3 O3 -","- C140 H106 N6 O6 -","2","1","","Bekere, Laura; Lokshin, Vladimir; Sigalov, Mark; Gvishi, Raz; Zhao, Peng; Hagan, David J.; Van Stryland, Eric W.; Khodorkovsky, Vladimir","Chromenes involving a two-photon absorbing moiety: photochromism via intramolecular resonance energy transfer","New J. Chem.","2016","40","2","1143","","10.1039/C5NJ02490K","","x-ray","1.54184","CuKα","","0.061","0.053","","","0.1444","0.1534","","","","","","1.051","","","","has coordinates","204135","2020-10-21","18:00:00",""
"7055176","13.2538","0.0006","21.2051","0.0004","25.4117","0.0013","90","","134.348","0.009","90","","5107.2","0.9","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","3-(2,7-di(9H-carbazol-9-yl)-9-methyl-9H-fluoren-9-yl)propyl 8-methyl-2,2-diphenyl-2H-benzo[h]chromene-5-carboxylate","","- C68 H50 N2 O3 -","- C68 H50 N2 O3 -","- C272 H200 N8 O12 -","4","1","","Bekere, Laura; Lokshin, Vladimir; Sigalov, Mark; Gvishi, Raz; Zhao, Peng; Hagan, David J.; Van Stryland, Eric W.; Khodorkovsky, Vladimir","Chromenes involving a two-photon absorbing moiety: photochromism via intramolecular resonance energy transfer","New J. Chem.","2016","40","2","1143","","10.1039/C5NJ02490K","","x-ray","1.54184","CuKα","","0.1141","0.0961","","","0.2824","0.3022","","","","","","1.115","","","","has coordinates","177890","2020-10-21","18:00:00",""
"7055177","8.2321","0.0007","9.8695","0.0008","12.5776","0.001","101.763","0.003","103.543","0.002","100.003","0.003","945.92","0.14","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C26 H28 Cu F6 N12 O12 S4 -","- C26 H28 Cu F6 N12 O12 S4 -","- C26 H28 Cu F6 N12 O12 S4 -","1","0.5","","Silva, Telma F. S.; Rocha, Bruno G. M.; Guedes da Silva, M. Fátima C.; Martins, Luísa M. D. R. S.; Pombeiro, Armando J. L.","V(iv), Fe(ii), Ni(ii) and Cu(ii) complexes bearing 2,2,2-tris(pyrazol-1-yl)ethyl methanesulfonate: application as catalysts for the cyclooctane oxidation","New J. Chem.","2016","40","1","528","","10.1039/C5NJ01865J","","","0.71069","MoKα","","0.1003","0.0679","","","0.1943","0.2237","","","","","","0.935","","","","has coordinates,has disorder","176131","2020-10-21","18:00:00",""
"7055178","12.3279","0.0012","12.8597","0.0009","13.1221","0.0009","104.215","0.006","100.333","0.007","105.122","0.007","1879.7","0.3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C64 H88 Cl4 N6 O30 Zn -","- C64 H84 Cl4 N6 O30 Zn -","- C64 H84 Cl4 N6 O30 Zn -","1","0.5","","Devi, Manisha; Dhir, Abhimanew; Pradeep, Chullikkattil P.","A sandwich-type zinc complex from a rhodamine dye based ligand: a potential fluorescent chemosensor for acetate in human blood plasma and a molecular logic gate with INHIBIT function","New J. Chem.","2016","40","2","1269","","10.1039/C5NJ02175H","","","0.71073","MoKα","","0.1081","0.0827","","","0.2386","0.2735","","","","","","1.053","","","","has coordinates","177889","2020-10-21","18:00:00",""
"7055179","47.02","0.06","10.77","0.007","23.78","0.03","90","","94.87","0.06","90","","11999","2","296","2","296.15","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C53 H60 Co2 N4 O22 -","- C53 H40 Co2 N4 O16 -","- C424 H320 Co16 N32 O128 -","8","1","","Li, Zhao; Chen, Xi; Yu, Fan; Su, Min; Zhang, Bi-quan; Li, Bao; Zhang, Tian-le","A porous framework based on tetrakis(4-pyridyloxymethyl)methane fine-tuned by metal ions: synthesis, crystal structures and adsorption properties","New J. Chem.","2016","40","2","1430","","10.1039/C5NJ02002F","","","0.71","MoKα","","0.1661","0.0936","","","0.2455","0.3208","","","","","","0.98","","","","has coordinates","177891","2020-10-21","18:00:00",""
"7055180","18.894","0.004","20.963","0.004","22.381","0.005","90","","114.95","0.03","90","","8037","4","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C59 H70 N6 O24 Zn2 -","- C53 H40 N4 O14 Zn2 -","- C212 H160 N16 O56 Zn8 -","4","0.5","","Li, Zhao; Chen, Xi; Yu, Fan; Su, Min; Zhang, Bi-quan; Li, Bao; Zhang, Tian-le","A porous framework based on tetrakis(4-pyridyloxymethyl)methane fine-tuned by metal ions: synthesis, crystal structures and adsorption properties","New J. Chem.","2016","40","2","1430","","10.1039/C5NJ02002F","","","1.54178","CuKα","","0.1485","0.1365","","","0.3446","0.3586","","","","","","1.497","","","","has coordinates","177891","2020-10-21","18:00:00",""
"7055181","46.403","","11.125","","24.144","","90","","98.48","","90","","12327.7","","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C53 H64 Cd2 N14 O24 -","- C53 H38 Cd2 N4 O16 -","- C424 H304 Cd16 N32 O128 -","8","1","","Li, Zhao; Chen, Xi; Yu, Fan; Su, Min; Zhang, Bi-quan; Li, Bao; Zhang, Tian-le","A porous framework based on tetrakis(4-pyridyloxymethyl)methane fine-tuned by metal ions: synthesis, crystal structures and adsorption properties","New J. Chem.","2016","40","2","1430","","10.1039/C5NJ02002F","","","0.71","MoKα","","0.1673","0.0712","","","0.1741","0.2178","","","","","","1.005","","","","has coordinates,has disorder","177891","2020-10-21","18:00:00",""
"7055182","10.614","0.009","8.737","0.007","12.75","0.011","90","","112.7","0.02","90","","1090.8","1.6","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C52 H36 Mn2 N8 O8 -","- C52 H36 Mn2 N8 O8 -","- C52 H36 Mn2 N8 O8 -","1","0.25","","Banerjee, Kaustuv; Biradha, Kumar","Two-dimensional coordination polymers and metal‒organic gels of symmetrical and unsymmetrical dipyridyl β-diketones: luminescence, dye absorption and mechanical properties","New J. Chem.","2016","40","3","1997","","10.1039/C5NJ02193F","","","0.71073","MoKα","","0.1163","0.0483","","","0.1164","0.1416","","","","","","0.793","","","","has coordinates","181753","2020-10-21","18:00:00",""
"7055183","10.811","0.006","8.73","0.005","12.942","0.007","90","","113.866","0.017","90","","1117","1.1","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H18 Cd N4 O4 -","- C26 H18 Cd N4 O4 -","- C52 H36 Cd2 N8 O8 -","2","0.5","","Banerjee, Kaustuv; Biradha, Kumar","Two-dimensional coordination polymers and metal‒organic gels of symmetrical and unsymmetrical dipyridyl β-diketones: luminescence, dye absorption and mechanical properties","New J. Chem.","2016","40","3","1997","","10.1039/C5NJ02193F","","","0.71073","MoKα","","0.1399","0.0771","","","0.1689","0.1925","","","","","","0.889","","","","has coordinates","181753","2020-10-21","18:00:00",""
"7055184","9.289","0.002","9.986","0.003","13.136","0.003","90","","109.741","0.007","90","","1146.9","0.5","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C26 H18 N4 O4 Zn -","- C26 H18 N4 O4 Zn -","- C52 H36 N8 O8 Zn2 -","2","0.5","","Banerjee, Kaustuv; Biradha, Kumar","Two-dimensional coordination polymers and metal‒organic gels of symmetrical and unsymmetrical dipyridyl β-diketones: luminescence, dye absorption and mechanical properties","New J. Chem.","2016","40","3","1997","","10.1039/C5NJ02193F","","","0.71073","MoKα","","0.0447","0.0322","","","0.1019","0.1129","","","","","","0.841","","","","has coordinates","181753","2020-10-21","18:00:00",""
"7055185","9.297","0.003","9.981","0.003","13.148","0.004","90","","109.752","0.008","90","","1148.3","0.6","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C26 H18 Mn N4 O4 -","- C26 H18 Mn N4 O4 -","- C52 H36 Mn2 N8 O8 -","2","0.5","","Banerjee, Kaustuv; Biradha, Kumar","Two-dimensional coordination polymers and metal‒organic gels of symmetrical and unsymmetrical dipyridyl β-diketones: luminescence, dye absorption and mechanical properties","New J. Chem.","2016","40","3","1997","","10.1039/C5NJ02193F","","","0.71073","MoKα","","0.1576","0.0699","","","0.1653","0.2109","","","","","","1.067","","","","has coordinates","181753","2020-10-21","18:00:00",""
"7055186","8.404","0.002","9.573","0.002","10.905","0.003","91.915","0.006","111.122","0.006","101.924","0.006","795.1","0.3","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C14 H10 Ag F3 N2 O5 S -","- C14 H9 Ag F3 N2 O5 S -","- C28 H18 Ag2 F6 N4 O10 S2 -","2","1","","Banerjee, Kaustuv; Biradha, Kumar","Two-dimensional coordination polymers and metal‒organic gels of symmetrical and unsymmetrical dipyridyl β-diketones: luminescence, dye absorption and mechanical properties","New J. Chem.","2016","40","3","1997","","10.1039/C5NJ02193F","","","0.71073","MoKα","","0.0701","0.0604","","","0.142","0.1468","","","","","","0.684","","","","has coordinates","181753","2020-10-21","18:00:00",""
"7055187","24.1919","0.0006","24.1919","0.0006","12.7495","0.0002","90","","90","","120","","6462","0.2","100","2","100","2","","","","","","","","5","R 3 :H","R 3","146","[Cu(anti-23)]","","","- C23 H30 Cu N10 O2 -","- C23 H30 Cu N10 O2 -","- C207 H270 Cu9 N90 O18 -","9","1","","Felten, A.-S.; Petry, N.; Henry, B.; Pellegrini-Moïse, N.; Selmeczi, K.","C-Functionalized chiral dioxocyclam and cyclam derivatives with 1,2,3-triazole units: synthesis, complexation properties and crystal structures of copper(ii) complexes","New J. Chem.","2016","40","2","1507","","10.1039/C5NJ01927C","","","0.71073","MoKα","","0.0335","0.0295","","","0.0742","0.0768","","","","","","1.024","","","","has coordinates","177887","2020-10-21","18:00:00",""
"7055188","12.2504","0.0001","12.2504","0.0001","42.3729","0.0007","90","","90","","90","","6359","0.13","100","2","100.15","","","","","","","","","5","P 43 21 2","P 4nw 2abw","96","[Cu(syn-25)]","","","- C23 H34 Cu N10 O4 -","- C23 H34 Cu N10 O4 -","- C184 H272 Cu8 N80 O32 -","8","1","","Felten, A.-S.; Petry, N.; Henry, B.; Pellegrini-Moïse, N.; Selmeczi, K.","C-Functionalized chiral dioxocyclam and cyclam derivatives with 1,2,3-triazole units: synthesis, complexation properties and crystal structures of copper(ii) complexes","New J. Chem.","2016","40","2","1507","","10.1039/C5NJ01927C","","","1.5418","CuKα","","0.0463","0.0438","","","0.1061","0.1083","","","","","","1.043","","","","has coordinates","177887","2020-10-21","18:00:00",""
"7055189","38.562","0.008","9.0853","0.0019","7.0499","0.0015","90","","92.608","0.011","90","","2467.4","0.9","103","2","103","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C28 H12 F6 N4 S4 -","- C28 H12 F6 N4 S4 -","- C112 H48 F24 N16 S16 -","4","0.5","","Mamada, Masashi; Fujita, Harunori; Kakita, Kazuaki; Shima, Hidetaka; Yoneda, Yasuhiro; Tanaka, Yasuhiro; Tokito, Shizuo","Crystal structure and modeled charge carrier mobility of benzobis(thiadiazole) derivatives","New J. Chem.","2016","40","2","1403","","10.1039/C5NJ02302E","","","0.71075","MoKα","","0.0974","0.0757","","","0.1391","0.1488","","","","","","1.156","","","","has coordinates","177895","2020-10-21","18:00:00",""
"7055190","5.0599","0.0008","6.4683","0.0013","20.014","0.003","93.915","0.015","97.142","0.013","102.709","0.014","630.93","0.19","299","2","299","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H12 F6 N4 S4 -","- C28 H12 F6 N4 S4 -","- C28 H12 F6 N4 S4 -","1","0.5","","Mamada, Masashi; Fujita, Harunori; Kakita, Kazuaki; Shima, Hidetaka; Yoneda, Yasuhiro; Tanaka, Yasuhiro; Tokito, Shizuo","Crystal structure and modeled charge carrier mobility of benzobis(thiadiazole) derivatives","New J. Chem.","2016","40","2","1403","","10.1039/C5NJ02302E","","","1.54178","CuKα","","0.0755","0.0626","","","0.1764","0.1872","","","","","","1.066","","","","has coordinates","177895","2020-10-21","18:00:00",""
"7055191","4.859","0.004","22.931","0.018","22.781","0.018","90","","92.026","0.012","90","","2537","4","93","2","93","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C28 H12 F6 N4 S4 -","- C28 H12 F6 N4 S4 -","- C112 H48 F24 N16 S16 -","4","1","","Mamada, Masashi; Fujita, Harunori; Kakita, Kazuaki; Shima, Hidetaka; Yoneda, Yasuhiro; Tanaka, Yasuhiro; Tokito, Shizuo","Crystal structure and modeled charge carrier mobility of benzobis(thiadiazole) derivatives","New J. Chem.","2016","40","2","1403","","10.1039/C5NJ02302E","","","0.71075","MoKα","","0.0955","0.0684","","","0.1581","0.1942","","","","","","1.123","","","","has coordinates","177895","2020-10-21","18:00:00",""
"7055192","40.73","0.07","9.045","0.015","7.129","0.012","90","","95.19","0.03","90","","2616","8","93","2","93","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C28 H12 F6 N4 O2 S4 -","- C28 H12 F6 N4 O2 S4 -","- C112 H48 F24 N16 O8 S16 -","4","0.5","","Mamada, Masashi; Fujita, Harunori; Kakita, Kazuaki; Shima, Hidetaka; Yoneda, Yasuhiro; Tanaka, Yasuhiro; Tokito, Shizuo","Crystal structure and modeled charge carrier mobility of benzobis(thiadiazole) derivatives","New J. Chem.","2016","40","2","1403","","10.1039/C5NJ02302E","","","0.71075","MoKα","","0.1696","0.1264","","","0.298","0.3288","","","","","","1.105","","","","has coordinates","177895","2020-10-21","18:00:00",""
"7055193","4.8806","0.0019","6.618","0.003","20.996","0.01","96.69","0.03","94.33","0.04","103.15","0.03","652.2","0.5","299","2","299","2","","","","","","","","6","P -1","-P 1","2","","","","- C28 H12 F6 N4 O2 S4 -","- C28 H12 F6 N4 O2 S4 -","- C28 H12 F6 N4 O2 S4 -","1","0.5","","Mamada, Masashi; Fujita, Harunori; Kakita, Kazuaki; Shima, Hidetaka; Yoneda, Yasuhiro; Tanaka, Yasuhiro; Tokito, Shizuo","Crystal structure and modeled charge carrier mobility of benzobis(thiadiazole) derivatives","New J. Chem.","2016","40","2","1403","","10.1039/C5NJ02302E","","","1.54178","CuKα","","0.12","0.0676","","","0.1937","0.2278","","","","","","1.059","","","","has coordinates","177895","2020-10-21","18:00:00",""
"7055194","10.999","0.002","7.0481","0.0013","33.51","0.006","90","","96.985","0.01","90","","2578.5","0.8","113","2","113","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C28 H12 F6 N4 O2 S4 -","- C28 H12 F6 N4 O2 S4 -","- C112 H48 F24 N16 O8 S16 -","4","1","","Mamada, Masashi; Fujita, Harunori; Kakita, Kazuaki; Shima, Hidetaka; Yoneda, Yasuhiro; Tanaka, Yasuhiro; Tokito, Shizuo","Crystal structure and modeled charge carrier mobility of benzobis(thiadiazole) derivatives","New J. Chem.","2016","40","2","1403","","10.1039/C5NJ02302E","","","0.71075","MoKα","","0.1293","0.0894","","","0.21","0.2442","","","","","","1.08","","","","has coordinates,has disorder","177895","2020-10-21","18:00:00",""
"7055195","17.4889","0.0014","17.3814","0.0011","8.2889","0.0006","90","","99.779","0.008","90","","2483.1","0.3","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C28 H21 Cl N2 O4 S -","- C28 H21 Cl N2 O4 S -","- C112 H84 Cl4 N8 O16 S4 -","4","1","","Ali, Yakub; Alam, Mohammad Sarwar; Hamid, Hinna; Husain, Asif; Dhulap, Abhijeet; Hussain, Firasat; Bano, Sameena; Kharbanda, Chetna","Molecular modeling and synthesis of some new 2-imino-4-thiazolidinone derivatives with promising TNF-α inhibitory activity","New J. Chem.","2016","40","1","711","","10.1039/C5NJ00078E","","","0.71073","MoKα","","0.217","0.0949","","","0.1531","0.2046","","","","","","0.988","","","","has coordinates","206958","2020-10-21","18:00:00",""
"7055196","7.7271","0.0007","9.6737","0.0008","10.9425","0.001","69.74","0.003","87.236","0.002","67.112","0.003","703.38","0.11","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C12 H10 N4 O9 Zn -","- C12 H10 N4 O9 Zn -","- C24 H20 N8 O18 Zn2 -","2","1","","Karmakar, Anirban; Paul, Anup; Mahmudov, Kamran T.; Guedes da Silva, M. Fátima C.; Pombeiro, Armando J. L.","pH dependent synthesis of Zn(ii) and Cd(ii) coordination polymers with dicarboxyl-functionalized arylhydrazone of barbituric acid: photoluminescence properties and catalysts for Knoevenagel condensation","New J. Chem.","2016","40","2","1535","","10.1039/C5NJ02411K","","","0.71073","MoKα","","0.0475","0.0381","","","0.0972","0.1013","","","","","","1.09","","","","has coordinates","177885","2020-10-21","18:00:00",""
"7055197","7.8701","0.0005","10.0231","0.0006","10.5151","0.0007","107.894","0.002","91.326","0.003","113.088","0.002","716.27","0.08","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C12 H10 Cd N4 O9 -","- C12 H10 Cd N4 O9 -","- C24 H20 Cd2 N8 O18 -","2","1","","Karmakar, Anirban; Paul, Anup; Mahmudov, Kamran T.; Guedes da Silva, M. Fátima C.; Pombeiro, Armando J. L.","pH dependent synthesis of Zn(ii) and Cd(ii) coordination polymers with dicarboxyl-functionalized arylhydrazone of barbituric acid: photoluminescence properties and catalysts for Knoevenagel condensation","New J. Chem.","2016","40","2","1535","","10.1039/C5NJ02411K","","","0.71073","MoKα","","0.031","0.0302","","","0.0768","0.0775","","","","","","1.132","","","","has coordinates","177885","2020-10-21","18:00:00",""
"7055198","7.5088","0.0005","13.6816","0.0009","18.8063","0.0012","90","","96.493","0.003","90","","1919.6","0.2","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H18 N4 O13 Zn -","- C12 H18 N4 O13 Zn -","- C48 H72 N16 O52 Zn4 -","4","1","","Karmakar, Anirban; Paul, Anup; Mahmudov, Kamran T.; Guedes da Silva, M. Fátima C.; Pombeiro, Armando J. L.","pH dependent synthesis of Zn(ii) and Cd(ii) coordination polymers with dicarboxyl-functionalized arylhydrazone of barbituric acid: photoluminescence properties and catalysts for Knoevenagel condensation","New J. Chem.","2016","40","2","1535","","10.1039/C5NJ02411K","","","0.71073","MoKα","","0.0768","0.0444","","","0.1015","0.1156","","","","","","1.048","","","","has coordinates","177885","2020-10-21","18:00:00",""
"7055199","22.127","0.004","15.583","0.004","14.931","0.003","90","","106.34","0.01","90","","4940.3","1.9","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C12 H20 Cd N4 O14 -","- C12 H14 Cd N4 O11 -","- C96 H112 Cd8 N32 O88 -","8","1","","Karmakar, Anirban; Paul, Anup; Mahmudov, Kamran T.; Guedes da Silva, M. Fátima C.; Pombeiro, Armando J. L.","pH dependent synthesis of Zn(ii) and Cd(ii) coordination polymers with dicarboxyl-functionalized arylhydrazone of barbituric acid: photoluminescence properties and catalysts for Knoevenagel condensation","New J. Chem.","2016","40","2","1535","","10.1039/C5NJ02411K","","","0.71073","MoKα","","0.0898","0.058","","","0.1601","0.1734","","","","","","1.053","","","","has coordinates","177885","2020-10-21","18:00:00",""
"7055200","26.7027","0.0014","3.8296","0.0002","13.3781","0.0007","90","","90","","90","","1368.05","0.12","293","2","293","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C14 H12 N2 O6 -","- C14 H12 N2 O6 -","- C56 H48 N8 O24 -","4","1","","Roy, Manojit; Roy, Subhadip; Singh, Keisham Surjit; Kalita, Janmoni; Singh, S. Sureshkumar","Synthesis, characterization and anti-diabetic assay of diorganotin(iv) azo-carboxylates: crystal structure and topological studies of azo-dicarboxylic acid ligand and its cyclic tetranuclear dimethyltin(iv) complex","New J. Chem.","2016","40","2","1471","","10.1039/C5NJ02637G","","","0.71073","MoKα","","0.0913","0.0406","","","0.0749","0.0948","","","","","","1.01","","","","has coordinates","177886","2020-10-21","18:00:00",""
"7055201","9.5462","0.0003","9.782","0.0003","11.8061","0.0004","88.004","0.002","69.65","0.002","79.051","0.002","1014.26","0.06","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C36 H40 N4 O12 Sn4 -","- C36 H40 N4 O12 Sn4 -","- C36 H40 N4 O12 Sn4 -","1","0.5","","Roy, Manojit; Roy, Subhadip; Singh, Keisham Surjit; Kalita, Janmoni; Singh, S. Sureshkumar","Synthesis, characterization and anti-diabetic assay of diorganotin(iv) azo-carboxylates: crystal structure and topological studies of azo-dicarboxylic acid ligand and its cyclic tetranuclear dimethyltin(iv) complex","New J. Chem.","2016","40","2","1471","","10.1039/C5NJ02637G","","","0.71073","MoKα","","0.0409","0.0284","","","0.0584","0.0659","","","","","","1.106","","","","has coordinates,has disorder","177886","2020-10-21","18:00:00",""
"7055202","10.966","0.003","7.485","0.0012","23.09","0.02","90","","100.94","0.05","90","","1860.8","1.7","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","1,4-diazabicyclo[2.2.2]octane hydroiodide water methanol cocrystal","","- C7 H19 I N2 O2 -","- C7 H19 I N2 O2 -","- C56 H152 I8 N16 O16 -","8","1","","Olejniczak, A.; Podsiadło, M.; Katrusiak, A.","High pressure used for producing a new solvate of 1,4-diazabicyclo[2.2.2]octane hydroiodide","New J. Chem.","2016","40","3","2014","","10.1039/C5NJ01654A","","","0.71073","MoKα","","0.0919","0.0459","","","0.1169","0.1544","","","","","","1.085","","","","has coordinates","181764","2020-10-21","18:00:00",""
"7055203","22.807","0.004","25.243","0.005","16.204","0.003","90","","133.809","0.002","90","","6732","2","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C46 H30 N8 O10 Zn2 -","- C46 H30 N8 O10 Zn2 -","- C184 H120 N32 O40 Zn8 -","4","0.5","","Yao, Wan-Ting; Luo, Ming-Biao; Feng, Xue-Feng; Meng, Pan-Pan; Gong, Le-Le; Luo, Feng","Construction of structural diversity and fine-tuned porosity in acylamide MOFs by a synthetic approach","New J. Chem.","2016","40","3","2021","","10.1039/C5NJ02634B","","","0.71073","MoKα","","0.061","0.0399","","","0.0946","0.0995","","","","","","0.901","","","","has coordinates","181776","2020-10-21","18:00:00",""
"7055204","17.202","0.005","17.211","0.005","18.875","0.006","90","","114.062","0.004","90","","5103","3","296","2","296","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C23 H14 N4 O5 Zn -","- C23 H14 N4 O5 Zn -","- C92 H56 N16 O20 Zn4 -","4","1","","Yao, Wan-Ting; Luo, Ming-Biao; Feng, Xue-Feng; Meng, Pan-Pan; Gong, Le-Le; Luo, Feng","Construction of structural diversity and fine-tuned porosity in acylamide MOFs by a synthetic approach","New J. Chem.","2016","40","3","2021","","10.1039/C5NJ02634B","","","0.71073","MoKα","","0.0982","0.0586","","","0.1357","0.1536","","","","","","0.832","","","","has coordinates","181776","2020-10-21","18:00:00",""
"7055205","23.2393","0.0018","25.042","0.002","53.544","0.004","90","","94.148","0.004","90","","31079","4","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Zn4(AzDC)4(L)2(DMF)1.5(H2O)0.5","","- C104 H68 N16 O20 Zn4 -","- C104 H68 N16 O20 Zn4 -","- C832 H544 N128 O160 Zn32 -","8","1","","Yao, Wan-Ting; Luo, Ming-Biao; Feng, Xue-Feng; Meng, Pan-Pan; Gong, Le-Le; Luo, Feng","Construction of structural diversity and fine-tuned porosity in acylamide MOFs by a synthetic approach","New J. Chem.","2016","40","3","2021","","10.1039/C5NJ02634B","","","0.71073","MoKα","","0.2433","0.1859","","","0.5286","0.5556","","","","","","1.07","","","","has coordinates","181776","2020-10-21","18:00:00",""
"7055206","16.833","0.0014","29.227","0.002","53.531","0.004","90","","96.338","0.004","90","","26175","3","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Zn4(AzDC)4(L)4(DMF)4.5","","- C152 H104 N23 O24 Zn4 -","- C152 H104 N23 O24 Zn4 -","- C608 H416 N92 O96 Zn16 -","4","0.5","","Yao, Wan-Ting; Luo, Ming-Biao; Feng, Xue-Feng; Meng, Pan-Pan; Gong, Le-Le; Luo, Feng","Construction of structural diversity and fine-tuned porosity in acylamide MOFs by a synthetic approach","New J. Chem.","2016","40","3","2021","","10.1039/C5NJ02634B","","","0.71073","MoKα","","0.2007","0.1719","","","0.5027","0.5265","","","","","","1.088","","","","has coordinates","181776","2020-10-21","18:00:00",""
"7055215","12.577","0.003","8.509","0.008","20.565","0.006","90","","102.9","0.02","90","","2145","2","294","2","294","2","","","","","","","synthesis as described","5","P 1 21/c 1","-P 2ybc","14","","","","- C10 H8 Cl N3 O2 -","- C10 H8 Cl N3 O2 -","- C80 H64 Cl8 N24 O16 -","8","2","","Bustos, Carlos; Molins, Elies; Cárcamo, Juan-Guillermo; Aguilar, Marcelo N.; Sánchez, Christian; Moreno-Villoslada, Ignacio; Nishide, Hiroyuki; Zarate, Ximena; Schott, Eduardo","A family of substituted hydrazonoisoxazolones with potential biological properties","New J. Chem.","2016","40","3","2156","","10.1039/C5NJ02604K","","x-ray","0.71073","MoKα","","0.1267","0.0615","","","0.1297","0.1462","","","","","","1.009","","","","has coordinates","181756","2020-10-21","18:00:00",""
"7055216","7.642","","7.933","","9.511","","98.77","","104.53","","98.06","","541.945","","294","2","294","2","","","","","","","synthesis as described","5","P -1","-P 1","2","","","","- C10 H8 Cl N3 O2 -","- C10 H8 Cl N3 O2 -","- C20 H16 Cl2 N6 O4 -","2","1","","Bustos, Carlos; Molins, Elies; Cárcamo, Juan-Guillermo; Aguilar, Marcelo N.; Sánchez, Christian; Moreno-Villoslada, Ignacio; Nishide, Hiroyuki; Zarate, Ximena; Schott, Eduardo","A family of substituted hydrazonoisoxazolones with potential biological properties","New J. Chem.","2016","40","3","2156","","10.1039/C5NJ02604K","","x-ray","0.71073","MoKα","","0.1192","0.0497","","","0.1158","0.1376","","","","","","0.913","","","","has coordinates","181756","2020-10-21","18:00:00",""
"7055217","15.7377","0.0005","21.1254","0.0008","11.7487","0.0003","90","","90","","90","","3906","0.2","293","2","293","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C29 H22 Cd1.5 N4 O7 -","- C29 H22 Cd1.5 N4 O7 -","- C116 H88 Cd6 N16 O28 -","4","1","","Xu, Zhong-Xuan; Liu, Liyang; Zhang, Jian","A pair of homochiral porous metal‒organic frameworks with a helical metal-carboxylate layer","New J. Chem.","2016","40","3","1927","","10.1039/C5NJ02236C","","","1.54178","CuKα","","0.0456","0.0413","","","0.1113","0.1143","","","","","","1.043","","","","has coordinates,has disorder","181761","2020-10-21","18:00:00",""
"7055218","15.6969","0.0006","20.9233","0.0007","11.7168","0.0004","90","","90","","90","","3848.2","0.2","293","2","293","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C29 H22 Cd1.5 N4 O7 -","- C29 H22 Cd1.5 N4 O7 -","- C116 H88 Cd6 N16 O28 -","4","1","","Xu, Zhong-Xuan; Liu, Liyang; Zhang, Jian","A pair of homochiral porous metal‒organic frameworks with a helical metal-carboxylate layer","New J. Chem.","2016","40","3","1927","","10.1039/C5NJ02236C","","","0.71073","MoKα","","0.0427","0.0387","","","0.0993","0.1018","","","","","","1.09","","","","has coordinates,has disorder","181761","2020-10-21","18:00:00",""
"7055220","7.96","0.001","13.588","0.002","22.433","0.003","87.035","0.006","83.056","0.005","73.204","0.005","2305.5","0.5","93","2","93","2","","","","","","","","5","P -1","-P 1","2","","","","- C23 H33 N O5 Si -","- C23 H33 N O5 Si -","- C92 H132 N4 O20 Si4 -","4","2","","Mutneja, Ruchi; Singh, Raghubir; Kaur, Varinder; Wagler, Jörg; Fels, Sabine; Kroke, Edwin","Schiff base tailed silatranes for the fabrication of functionalized silica based magnetic nano-cores possessing active sites for the adsorption of copper ions","New J. Chem.","2016","40","2","1640","","10.1039/C5NJ02287H","","","0.71073","MoKα","","0.2606","0.0729","","","0.1412","0.215","","","","","","0.965","","","","has coordinates","177897","2020-10-21","18:00:00",""
"7055221","7.8815","0.0012","13.2589","0.0008","13.5466","0.0006","117.517","0.002","103.013","0.003","93.115","0.003","1202.5","0.2","223","2","223","2","","","","","","","","5","P -1","-P 1","2","","","","- C23 H33 N O5 Si -","- C23 H33 N O5 Si -","- C46 H66 N2 O10 Si2 -","2","1","","Mutneja, Ruchi; Singh, Raghubir; Kaur, Varinder; Wagler, Jörg; Fels, Sabine; Kroke, Edwin","Schiff base tailed silatranes for the fabrication of functionalized silica based magnetic nano-cores possessing active sites for the adsorption of copper ions","New J. Chem.","2016","40","2","1640","","10.1039/C5NJ02287H","","","0.71073","MoKα","","0.072","0.0438","","","0.1119","0.1304","","","","","","1.012","","","","has coordinates,has disorder","177897","2020-10-21","18:00:00",""
"7055222","10.7352","0.0006","13.3873","0.0005","16.2758","0.001","90","","100.095","0.005","90","","2302.9","0.2","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C23 H30.3 N2 O5.15 Si -","- C23 H30.3 N2 O5.15 Si -","- C92 H121.2 N8 O20.6 Si4 -","4","1","","Mutneja, Ruchi; Singh, Raghubir; Kaur, Varinder; Wagler, Jörg; Fels, Sabine; Kroke, Edwin","Schiff base tailed silatranes for the fabrication of functionalized silica based magnetic nano-cores possessing active sites for the adsorption of copper ions","New J. Chem.","2016","40","2","1640","","10.1039/C5NJ02287H","","","0.71073","MoKα","","0.0507","0.0397","","","0.0969","0.1029","","","","","","1.037","","","","has coordinates,has disorder","177897","2020-10-21","18:00:00",""
"7055223","9.4731","0.0005","13.5296","0.0008","29.022","0.0018","90","","90","","90","","3719.7","0.4","150","2","150","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C12 H16 Cl4 N2 O3 Zn2 -","- C12 H16 Cl4 N2 O3 Zn2 -","- C96 H128 Cl32 N16 O24 Zn16 -","8","1","","Sharma, Vinay; Mohammad, Akbar; Mishra, Veenu; Chaudhary, Archana; Kapoor, Kshipra; Mobin, Shaikh M.","Fabrication of innovative ZnO nanoflowers showing drastic biological activity","New J. Chem.","2016","40","3","2145","","10.1039/C5NJ02391B","","","0.71073","MoKα","","0.0622","0.0467","","","0.0804","0.0865","","","","","","1.15","","","","has coordinates","181758","2020-10-21","18:00:00",""
"7055224","10.468","0.007","8.1058","0.0006","10.993","0.003","90","","97.69","0.04","90","","924.4","0.7","120","2","120","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C7 H9 Cl2 N O Zn -","- C7 H9 Cl2 N O Zn -","- C28 H36 Cl8 N4 O4 Zn4 -","4","1","","Sharma, Vinay; Mohammad, Akbar; Mishra, Veenu; Chaudhary, Archana; Kapoor, Kshipra; Mobin, Shaikh M.","Fabrication of innovative ZnO nanoflowers showing drastic biological activity","New J. Chem.","2016","40","3","2145","","10.1039/C5NJ02391B","","","0.71073","MoKα","","0.0451","0.0372","","","0.0802","0.0824","","","","","","0.995","","","","has coordinates","181758","2020-10-21","18:00:00",""
"7055225","8.0536","0.0014","15.872","0.002","3.5364","0.0006","90","","100.268","0.007","90","","444.81","0.12","301","","301","","","","","","","","","4","C 1 m 1","C -2y","8","","","","- B3 Cd4 Nd O10 -","- B3 Cd4 Nd O10 -","- B6 Cd8 Nd2 O20 -","2","0.5","","Wang, Xing; Xia, Mingjun; Li, R. K.","Two potential self-activated orthoborates Cd4NdO(BO3)3and Ca3Nd3(BO3)5: growth, crystal structures and optical properties","New J. Chem.","2016","40","3","2057","","10.1039/C5NJ02710A","","","0.71073","MoKα","","0.032","0.0311","","","0.073","0.0745","","","","","","1.084","","","","has coordinates","208165","2020-10-21","18:00:00",""
"7055226","10.4864","0.0002","10.4864","0.0002","6.2665","0.0001","90","","90","","120","","596.772","0.019","296","2","296","2","","","","","","","","4","P 63 m c","P 6c -2c","186","","","","- B5 Ca3 Nd3 O15 -","- B5 Ca3 Nd3 O15 -","- B10 Ca6 Nd6 O30 -","2","0.166667","","Wang, Xing; Xia, Mingjun; Li, R. K.","Two potential self-activated orthoborates Cd4NdO(BO3)3and Ca3Nd3(BO3)5: growth, crystal structures and optical properties","New J. Chem.","2016","40","3","2057","","10.1039/C5NJ02710A","","","0.71073","MoKα","","0.0245","0.0245","","","0.0584","0.0584","","","","","","1.191","","","","has coordinates","181759","2020-10-21","18:00:00",""
"7055227","8.7069","0.0008","9.1354","0.0008","15.4095","0.0014","98.506","0.0015","91.665","0.0015","113.205","0.0014","1108.98","0.17","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C22 H32 K O6 -","- C22 H32 K O6 -","- C44 H64 K2 O12 -","2","1","","Castillo, Maximiliano; Metta-Magaña, Alejandro J.; Fortier, Skye","Isolation of gravimetrically quantifiable alkali metal arenides using 18-crown-6","New J. Chem.","2016","40","3","1923","","10.1039/C5NJ02841H","","","0.71073","MoKα","","0.0853","0.0513","","","0.0943","0.1081","","","","","","1.035","","","","has coordinates","181765","2020-10-21","18:00:00",""
"7055228","13.0082","0.0008","18.1719","0.0011","15.3774","0.001","90","","112.47","0.001","90","","3359","0.4","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C34 H50 K O8 -","- C34 H50 K O8 -","- C136 H200 K4 O32 -","4","2","","Castillo, Maximiliano; Metta-Magaña, Alejandro J.; Fortier, Skye","Isolation of gravimetrically quantifiable alkali metal arenides using 18-crown-6","New J. Chem.","2016","40","3","1923","","10.1039/C5NJ02841H","","","0.71073","MoKα","","0.0754","0.0444","","","0.0767","0.0878","","","","","","1.004","","","","has coordinates","181765","2020-10-21","18:00:00",""
"7055229","8.602","0.0003","21.887","0.0008","22.2344","0.0008","90","","90","","90","","4186.1","0.3","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C22 H32 Li O6 -","- C22 H32 Li O6 -","- C176 H256 Li8 O48 -","8","1","","Castillo, Maximiliano; Metta-Magaña, Alejandro J.; Fortier, Skye","Isolation of gravimetrically quantifiable alkali metal arenides using 18-crown-6","New J. Chem.","2016","40","3","1923","","10.1039/C5NJ02841H","","","0.71073","MoKα","","0.0531","0.0368","","","0.081","0.0918","","","","","","1.025","","","","has coordinates","181765","2020-10-21","18:00:00",""
"7055230","11.5114","0.0007","11.8386","0.0007","13.627","0.0008","65.213","0.001","70.169","0.001","63.751","0.001","1484.9","0.15","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C30 H44 Na O8 -","- C30 H44 Na O8 -","- C60 H88 Na2 O16 -","2","1","","Castillo, Maximiliano; Metta-Magaña, Alejandro J.; Fortier, Skye","Isolation of gravimetrically quantifiable alkali metal arenides using 18-crown-6","New J. Chem.","2016","40","3","1923","","10.1039/C5NJ02841H","","","0.71073","MoKα","","0.0938","0.0491","","","0.0873","0.1074","","","","","","1.011","","","","has coordinates","181765","2020-10-21","18:00:00",""
"7055231","22.1045","0.0007","12.5068","0.0004","16","0.0009","90","","132.18","","90","","3277.8","0.2","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C36 H46 Na O8 -","- C36 H46 Na O8 -","- C144 H184 Na4 O32 -","4","0.5","","Castillo, Maximiliano; Metta-Magaña, Alejandro J.; Fortier, Skye","Isolation of gravimetrically quantifiable alkali metal arenides using 18-crown-6","New J. Chem.","2016","40","3","1923","","10.1039/C5NJ02841H","","","0.71073","MoKα","","0.0375","0.0335","","","0.092","0.0954","","","","","","1.024","","","","has coordinates","181765","2020-10-21","18:00:00",""
"7055232","12.8923","0.0012","18.0166","0.0017","15.2947","0.0014","90","","114.036","0.002","90","","3244.5","0.5","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C32 H48 K O8 -","- C32 H48 K O8 -","- C128 H192 K4 O32 -","4","1","","Castillo, Maximiliano; Metta-Magaña, Alejandro J.; Fortier, Skye","Isolation of gravimetrically quantifiable alkali metal arenides using 18-crown-6","New J. Chem.","2016","40","3","1923","","10.1039/C5NJ02841H","","","0.71073","MoKα","","0.134","0.0607","","","0.133","0.1708","","","","","","1.02","","","","has coordinates,has disorder","181765","2020-10-21","18:00:00",""
"7055233","12.1048","0.0008","17.6109","0.0012","15.2132","0.001","90","","103.67","0.001","90","","3151.2","0.4","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C32 H50 Li O8 -","- C32 H50 Li O8 -","- C128 H200 Li4 O32 -","4","1","","Castillo, Maximiliano; Metta-Magaña, Alejandro J.; Fortier, Skye","Isolation of gravimetrically quantifiable alkali metal arenides using 18-crown-6","New J. Chem.","2016","40","3","1923","","10.1039/C5NJ02841H","","","0.71073","MoKα","","0.0637","0.0406","","","0.0901","0.103","","","","","","1","","","","has coordinates,has disorder","181765","2020-10-21","18:00:00",""
"7055234","12.7772","0.0013","17.6539","0.0018","15.1994","0.0015","90","","112.12","0.002","90","","3176.1","0.6","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C32 H50 Na O8 -","- C32 H50 Na O8 -","- C128 H200 Na4 O32 -","4","1","","Castillo, Maximiliano; Metta-Magaña, Alejandro J.; Fortier, Skye","Isolation of gravimetrically quantifiable alkali metal arenides using 18-crown-6","New J. Chem.","2016","40","3","1923","","10.1039/C5NJ02841H","","","0.71073","MoKα","","0.0841","0.0424","","","0.0931","0.111","","","","","","1.004","","","","has coordinates,has disorder","181765","2020-10-21","18:00:00",""
"7055235","8.6161","0.0008","15.756","0.0014","19.686","0.0018","90","","98.022","0.002","90","","2646.3","0.4","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C26 H42 Na O8 -","- C26 H42 Na O8 -","- C104 H168 Na4 O32 -","4","1","","Castillo, Maximiliano; Metta-Magaña, Alejandro J.; Fortier, Skye","Isolation of gravimetrically quantifiable alkali metal arenides using 18-crown-6","New J. Chem.","2016","40","3","1923","","10.1039/C5NJ02841H","","","0.71073","MoKα","","0.1053","0.0487","","","0.0853","0.1037","","","","","","1.006","","","","has coordinates","181765","2020-10-21","18:00:00",""
"7055236","17.512","0.0018","18.3856","0.0019","23.115","0.002","90","","98.461","0.002","90","","7361.3","1.2","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C40 H52 K O8 -","- C40 H52 K O8 -","- C320 H416 K8 O64 -","8","2","","Castillo, Maximiliano; Metta-Magaña, Alejandro J.; Fortier, Skye","Isolation of gravimetrically quantifiable alkali metal arenides using 18-crown-6","New J. Chem.","2016","40","3","1923","","10.1039/C5NJ02841H","","","0.71073","MoKα","","0.1178","0.0656","","","0.1549","0.1784","","","","","","1.04","","","","has coordinates,has disorder","181765","2020-10-21","18:00:00",""
"7055237","8.3174","0.0005","12.2288","0.0008","20.1448","0.0013","104.274","0.001","99.634","0.001","97.908","0.001","1923.1","0.2","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C46 H52 Li O8 -","- C46 H52 Li O8 -","- C92 H104 Li2 O16 -","2","1","","Castillo, Maximiliano; Metta-Magaña, Alejandro J.; Fortier, Skye","Isolation of gravimetrically quantifiable alkali metal arenides using 18-crown-6","New J. Chem.","2016","40","3","1923","","10.1039/C5NJ02841H","","","0.71073","MoKα","","0.144","0.0635","","","0.1123","0.1438","","","","","","0.976","","","","has coordinates","181765","2020-10-21","18:00:00",""
"7055238","11.838","0.0004","12.3065","0.0004","20.7813","0.0008","99.315","0.003","99.81","0.003","95.905","0.003","2917.29","0.18","100","0.1","100","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C44 H88 Br Mo6 N3 O18 -","- C44 H88 Br Mo6 N3 O18 -","- C88 H176 Br2 Mo12 N6 O36 -","2","1","","Jangir, Ritambhara; Antony, Rajendran; Murugavel, Ramaswamy","New sterically encumbered arylimido hexamolybdates for organic oxidation reactions","New J. Chem.","2016","40","2","1004","","10.1039/C5NJ02330K","","","1.5418","CuKα","","0.0322","0.0304","","","0.0773","0.0786","","","","","","1.088","","","","has coordinates","177893","2020-10-21","18:00:00",""
"7055239","16.201","0.004","19.611","0.005","22.481","0.006","98.01","0.05","96.77","0.04","90.14","0.06","7022","3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C56 H104 Br2 Mo6 N4 O17 -","- C56 H104 Br2 Mo6 N4 O17 -","- C224 H416 Br8 Mo24 N16 O68 -","4","2","","Jangir, Ritambhara; Antony, Rajendran; Murugavel, Ramaswamy","New sterically encumbered arylimido hexamolybdates for organic oxidation reactions","New J. Chem.","2016","40","2","1004","","10.1039/C5NJ02330K","","","0.71073","MoKα","","0.0683","0.0529","","","0.1411","0.1533","","","","","","1.088","","","","has coordinates,has disorder","177893","2020-10-21","18:00:00",""
"7055240","23.8986","0.0005","15.7862","0.0002","20.1555","0.0005","90","","112.883","0.002","90","","7005.6","0.3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C56 H105.54 Mo6 N4 O18 -","- C56 H105.543 Mo6 N4 O18 -","- C224 H422.172 Mo24 N16 O72 -","4","1","","Jangir, Ritambhara; Antony, Rajendran; Murugavel, Ramaswamy","New sterically encumbered arylimido hexamolybdates for organic oxidation reactions","New J. Chem.","2016","40","2","1004","","10.1039/C5NJ02330K","","","1.54184","CuKα","","0.0879","0.0546","","","0.1372","0.1565","","","","","","0.967","","","","has coordinates,has disorder","177893","2020-10-21","18:00:00",""
"7055241","23.078","0.005","11.26","0.0018","17.936","0.004","90","","118.626","0.005","90","","4091.1","1.4","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","3'-(4-methoxyphenyl)-4'-nitro-5'-phenylspiro[indoline-3,2'-pyrrolidin]-2-one","","- C24 H21 N3 O4 -","- C24 H21 N3 O4 -","- C192 H168 N24 O32 -","8","1","","Mali, Prakash R.; Chandrasekhara Rao, L.; Bangade, Vikas M.; Shirsat, Prashishkumar K.; George, Sara A.; Jagadeesh babu, N.; Meshram, H. M.","A convenient and rapid microwave-assisted synthesis of spirooxindoles in aqueous medium and their antimicrobial activities","New J. Chem.","2016","40","3","2225","","10.1039/C5NJ02126J","","","0.71073","MoKα","","0.0603","0.0468","","","0.1269","0.1387","","","","","","1.047","","","","has coordinates,has disorder","181770","2020-10-21","18:00:00",""
"7055242","16.515","0.002","45.244","0.007","7.7842","0.0011","90","","92.294","0.003","90","","5811.7","1.4","298","2","298","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C23 H24 N2 -","- C23 H24 N2 -","- C276 H288 N24 -","12","3","","Ji, Xiangdong; Yao, Wei; Luo, Xuyang; Gao, Wei; Mu, Ying","Synthesis of Ti, Zr, and Hf complexes with a new tetra-azane ligand by one-pot HCl-elimination and their properties as catalysts for production of UHMWPE","New J. Chem.","2016","40","3","2071","","10.1039/C5NJ02151K","","","0.71073","MoKα","","0.135","0.0754","","","0.1494","0.1746","","","","","","1.053","","","","has coordinates","181771","2020-10-21","18:00:00",""
"7055243","10.2174","0.001","10.6434","0.001","19.4065","0.0018","77.176","0.002","80.422","0.002","66.226","0.002","1876.1","0.3","185","2","185","2","","","","","","","","3","P -1","-P 1","2","","","","- C44 H50 N4 -","- C44 H50 N4 -","- C88 H100 N8 -","2","1","","Ji, Xiangdong; Yao, Wei; Luo, Xuyang; Gao, Wei; Mu, Ying","Synthesis of Ti, Zr, and Hf complexes with a new tetra-azane ligand by one-pot HCl-elimination and their properties as catalysts for production of UHMWPE","New J. Chem.","2016","40","3","2071","","10.1039/C5NJ02151K","","","0.71073","MoKα","","0.1172","0.0681","","","0.155","0.1905","","","","","","1.028","","","","has coordinates","181771","2020-10-21","18:00:00",""
"7055244","10.7714","0.0008","11.1493","0.0008","19.3176","0.0014","100.572","0.001","101.732","0.001","104.877","0.001","2126.1","0.3","185","2","185","2","","","","","","","","5","P -1","-P 1","2","","","","- C44.5 H49 Cl3 N4 Ti -","- C44.5 H49 Cl3 N4 Ti -","- C89 H98 Cl6 N8 Ti2 -","2","1","","Ji, Xiangdong; Yao, Wei; Luo, Xuyang; Gao, Wei; Mu, Ying","Synthesis of Ti, Zr, and Hf complexes with a new tetra-azane ligand by one-pot HCl-elimination and their properties as catalysts for production of UHMWPE","New J. Chem.","2016","40","3","2071","","10.1039/C5NJ02151K","","","0.71073","MoKα","","0.0756","0.0573","","","0.1404","0.1612","","","","","","1.066","","","","has coordinates","181771","2020-10-21","18:00:00",""
"7055245","10.8808","0.0013","11.226","0.0013","19.417","0.002","100.183","0.002","103.09","0.002","104.971","0.002","2160.8","0.4","185","2","185","2","","","","","","","","5","P -1","-P 1","2","","","","- C44.5 H49 Cl3 N4 Zr -","- C44.5 H49 Cl3 N4 Zr -","- C89 H98 Cl6 N8 Zr2 -","2","1","","Ji, Xiangdong; Yao, Wei; Luo, Xuyang; Gao, Wei; Mu, Ying","Synthesis of Ti, Zr, and Hf complexes with a new tetra-azane ligand by one-pot HCl-elimination and their properties as catalysts for production of UHMWPE","New J. Chem.","2016","40","3","2071","","10.1039/C5NJ02151K","","","0.71073","MoKα","","0.1317","0.0844","","","0.2013","0.2403","","","","","","1.07","","","","has coordinates","181771","2020-10-21","18:00:00",""
"7055246","10.9945","0.0007","11.1586","0.0007","19.4967","0.0013","98.036","0.001","104.963","0.001","105.193","0.001","2174.1","0.2","185","2","185","2","","","","","","","","5","P -1","-P 1","2","","","","- C47.5 H53 Cl2 Hf N4 -","- C47.5 H53 Cl2 Hf N4 -","- C95 H106 Cl4 Hf2 N8 -","2","1","","Ji, Xiangdong; Yao, Wei; Luo, Xuyang; Gao, Wei; Mu, Ying","Synthesis of Ti, Zr, and Hf complexes with a new tetra-azane ligand by one-pot HCl-elimination and their properties as catalysts for production of UHMWPE","New J. Chem.","2016","40","3","2071","","10.1039/C5NJ02151K","","","0.71073","MoKα","","0.04","0.0344","","","0.086","0.0981","","","","","","1.104","","","","has coordinates","181771","2020-10-21","18:00:00",""
"7055247","11.6472","0.0015","11.6472","0.0015","19.117","0.002","90","","90","","120","","2245.9","0.5","173","2","173","2","","","","","","","","6","R 3 :H","R 3","146","","","","- Cs3 H20 Na Nb2 O29 W4 -","- Cs3 Na Nb2.001 O29 W3.999 -","- Cs9 Na3 Nb6.003 O87 W11.997 -","3","0.333333","","Sures, Dylan J.; Molina, Pedro I.; Miró, Pere; Zakharov, Lev N.; Nyman, May","Cesium salts of niobo-tungstate isopolyanions with intermediate group V‒group VI character","New J. Chem.","2016","40","2","928","","10.1039/C5NJ02914G","","","0.71073","MoKα","","0.0497","0.0325","","","0.0537","0.0581","","","","","","1.006","","","","has coordinates","177894","2020-10-21","18:00:00",""
"7055248","9.6119","0.0008","11.8087","0.001","11.2532","0.0009","90","","90.929","0.004","90","","1277.12","0.18","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- Cs4 H8 Nb1.97 O23 W4.03 -","- Cs4 Nb1.966 O23 W4.034 -","- Cs8 Nb3.932 O46 W8.068 -","2","0.5","","Sures, Dylan J.; Molina, Pedro I.; Miró, Pere; Zakharov, Lev N.; Nyman, May","Cesium salts of niobo-tungstate isopolyanions with intermediate group V‒group VI character","New J. Chem.","2016","40","2","928","","10.1039/C5NJ02914G","","","0.71073","MoKα","","0.0897","0.0468","","","0.0869","0.1037","","","","","","1.016","","","","has coordinates,has disorder","177894","2020-10-21","18:00:00",""
"7055249","9.576","0.0003","13.5844","0.0004","12.3503","0.0004","90","","90.079","0.0012","90","","1606.58","0.09","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- Cs4 H24 Na2 Nb3.89 O31 W2.11 -","- Cs4 H24 Na2 Nb3.896 O31 W2.104 -","- Cs8 H48 Na4 Nb7.792 O62 W4.208 -","2","0.5","","Sures, Dylan J.; Molina, Pedro I.; Miró, Pere; Zakharov, Lev N.; Nyman, May","Cesium salts of niobo-tungstate isopolyanions with intermediate group V‒group VI character","New J. Chem.","2016","40","2","928","","10.1039/C5NJ02914G","","","0.71073","MoKα","","0.0318","0.031","","","0.0917","0.0921","","","","","","1.261","","","","has coordinates","177894","2020-10-21","18:00:00",""
"7055250","7.5074","0.0006","15.984","0.0013","23.982","0.002","90","","96.482","0.003","90","","2859.4","0.4","295","","295","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C21 H36 Cl2 N4 Ni2 O10 -","- C21 H36 Cl2 N4 Ni2 O10 -","- C84 H144 Cl8 N16 Ni8 O40 -","4","1","","Mahapatra, Tufan Singha; Chaudhury, Susmitnarayan; Dasgupta, Swagata; Bertolasi, Valerio; Ray, Debashis","Dinuclear nickel complexes of divergent Ni⋯Ni separation showing ancillary ligand addition and bio-macromolecular interaction","New J. Chem.","2016","40","3","2268","","10.1039/C5NJ02410B","","","0.71073","MoKα","","0.1263","0.0863","","","0.2066","0.228","","","","","","1.116","","","","has coordinates","181773","2020-10-21","18:00:00",""
"7055251","11.6655","0.0001","16.9475","0.0001","22.7678","0.0002","74.219","0.0004","87.0926","0.0004","75.704","0.0004","4196.77","0.06","295","","295","","","","","","","","","6","P -1","-P 1","2","","","","- C30 H46 F9 N5 Ni2 O10 -","- C30 H46 F9 N5 Ni2 O10 -","- C120 H184 F36 N20 Ni8 O40 -","4","2","","Mahapatra, Tufan Singha; Chaudhury, Susmitnarayan; Dasgupta, Swagata; Bertolasi, Valerio; Ray, Debashis","Dinuclear nickel complexes of divergent Ni⋯Ni separation showing ancillary ligand addition and bio-macromolecular interaction","New J. Chem.","2016","40","3","2268","","10.1039/C5NJ02410B","","","0.71073","MoKα","","0.0857","0.0618","","","0.1803","0.1964","","","","","","1.058","","","","has coordinates","181773","2020-10-21","18:00:00",""
"7055252","19.664","0.003","11.6297","0.0018","20.591","0.003","90","","117.27","0.004","90","","4185.5","1.1","295","","295","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C33 H61 Cl N6 Ni2 O12 -","- C33 H61 Cl N6 Ni2 O12 -","- C132 H244 Cl4 N24 Ni8 O48 -","4","1","","Mahapatra, Tufan Singha; Chaudhury, Susmitnarayan; Dasgupta, Swagata; Bertolasi, Valerio; Ray, Debashis","Dinuclear nickel complexes of divergent Ni⋯Ni separation showing ancillary ligand addition and bio-macromolecular interaction","New J. Chem.","2016","40","3","2268","","10.1039/C5NJ02410B","","","0.71073","MoKα","","0.0499","0.0377","","","0.0969","0.1046","","","","","","1.05","","","","has coordinates,has disorder","181773","2020-10-21","18:00:00",""
"7055253","17.461","0.003","67.604","0.009","12.0678","0.0017","90","","90","","90","","14245","4","295","","295","","","","","","","","","6","F d d 2","F 2 -2d","43","","","","- C28 H45 N7 Ni2 O4 S2 -","- C28 H45 N7 Ni2 O4 S2 -","- C448 H720 N112 Ni32 O64 S32 -","16","1","","Mahapatra, Tufan Singha; Chaudhury, Susmitnarayan; Dasgupta, Swagata; Bertolasi, Valerio; Ray, Debashis","Dinuclear nickel complexes of divergent Ni⋯Ni separation showing ancillary ligand addition and bio-macromolecular interaction","New J. Chem.","2016","40","3","2268","","10.1039/C5NJ02410B","","","0.71073","MoKα","","0.1745","0.0874","","","0.1206","0.1526","","","","","","1.13","","","","has coordinates,has disorder","181773","2020-10-21","18:00:00",""
"7055254","10.3693","0.0009","35.46","0.003","18.8761","0.0015","90","","104.288","0.002","90","","6726","1","295","","295","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H45 N11 Ni2 O4 -","- C26 H45 N11 Ni2 O4 -","- C208 H360 N88 Ni16 O32 -","8","2","","Mahapatra, Tufan Singha; Chaudhury, Susmitnarayan; Dasgupta, Swagata; Bertolasi, Valerio; Ray, Debashis","Dinuclear nickel complexes of divergent Ni⋯Ni separation showing ancillary ligand addition and bio-macromolecular interaction","New J. Chem.","2016","40","3","2268","","10.1039/C5NJ02410B","","","0.71073","MoKα","","0.1014","0.0578","","","0.1386","0.1679","","","","","","1.039","","","","has coordinates,has disorder","181773","2020-10-21","18:00:00",""
"7055255","15.295","0.005","15.295","0.005","19.43","0.005","90","0.005","90","0.005","90","0.005","4545","2","298","2","298.15","","","","","","","","","8","I 4/m","-I 4","87","","1","","- C24 H95 As Cu4 N16 Nb12 O52 V4 -","- C24 H80 As Cu4 N16 Nb12 O52 V4 -","- C48 H160 As2 Cu8 N32 Nb24 O104 V8 -","2","0.125","","Li, Ning; Liu, Yiwei; Lu, Ying; He, Danfeng; Liu, Shumei; Wang, Xingquan; Li, Yangguang; Liu, Shuxia","An arsenicniobate-based 3D framework with selective adsorption and anion-exchange properties","New J. Chem.","2016","40","3","2220","","10.1039/C5NJ02163D","","","0.71069","MoKα","","0.0611","0.0544","","","0.1863","0.1956","","","","","","1.051","","","","has coordinates,has disorder","181774","2020-10-21","18:00:00",""
"7055256","7.8007","0.0006","10.7877","0.0005","20.2847","0.0016","90","","91.562","0.007","90","","1706.4","0.2","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H21 N4 O5 -","- C15 H21 N4 O5 -","- C60 H84 N16 O20 -","4","1","","Ionita, Gabriela; Madalan, Augustin M.; Ariciu, Ana Maria; Medvedovici, Andrei; Ionita, Petre","Synthesis of novel TEMPO stable free (poly)radical derivatives and their host‒guest interaction with cucurbit[6]uril","New J. Chem.","2016","40","1","503","","10.1039/C5NJ01518A","","","0.71073","MoKα","","0.1063","0.0479","","","0.0985","0.1162","","","","","","0.973","","","","has coordinates","173500","2020-10-21","18:00:00",""
"7055257","7.0768","0.0007","25.637","0.004","10.7812","0.0011","90","","101.712","0.008","90","","1915.3","0.4","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C16 H25 N4 O5 -","- C16 H25 N4 O5 -","- C64 H100 N16 O20 -","4","1","","Ionita, Gabriela; Madalan, Augustin M.; Ariciu, Ana Maria; Medvedovici, Andrei; Ionita, Petre","Synthesis of novel TEMPO stable free (poly)radical derivatives and their host‒guest interaction with cucurbit[6]uril","New J. Chem.","2016","40","1","503","","10.1039/C5NJ01518A","","","0.71073","MoKα","","0.2069","0.0451","","","0.0432","0.0687","","","","","","0.724","","","","has coordinates","173500","2020-10-21","18:00:00",""
"7055258","10.3872","0.0006","14.4087","0.001","18.44","0.001","95.95","0.02","102","0.014","109.68","0.013","2496.2","0.4","293","2","293","2","","","","","","","","8","P -1","-P 1","2","","","","- C57 H50 B Cu F4 N4 O2 P2 -","- C57 H50 B Cu F4 N4 O2 P2 -","- C114 H100 B2 Cu2 F8 N8 O4 P4 -","2","1","","Liu, Xinfang; Li, Rongfang; Ma, Lufang; Feng, Xun; Ding, Yuqiang","Influences of the protonic state of an imidazole-phenanthroline ligand on the luminescence properties of copper(i) complexes: experimental and theoretical research","New J. Chem.","2016","40","1","619","","10.1039/C5NJ02100F","","","0.71073","MoKα","","0.1065","0.0762","","","0.1523","0.1703","","","","","","1.087","","","","has coordinates,has disorder","173501","2020-10-21","18:00:00",""
"7055259","13.0549","0.0002","13.6031","0.0002","14.2237","0.0002","73.079","0.001","75.249","0.001","87.895","0.001","2335.03","0.06","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C56 H43 Cu N4 O2 P2 -","- C56 H43 Cu N4 O2 P2 -","- C112 H86 Cu2 N8 O4 P4 -","2","1","","Liu, Xinfang; Li, Rongfang; Ma, Lufang; Feng, Xun; Ding, Yuqiang","Influences of the protonic state of an imidazole-phenanthroline ligand on the luminescence properties of copper(i) complexes: experimental and theoretical research","New J. Chem.","2016","40","1","619","","10.1039/C5NJ02100F","","","0.71073","MoKα","","0.0459","0.0387","","","0.0974","0.1039","","","","","","1.056","","","","has coordinates,has disorder","173501","2020-10-21","18:00:00",""
"7055260","19.491","0.004","25.892","0.005","8.9679","0.0018","90","","90","","90","","4525.7","1.6","223.15","","223.15","","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C56 H43 Cu N4 P2 -","- C56 H43 Cu N4 P2 -","- C224 H172 Cu4 N16 P8 -","4","1","","Liu, Xinfang; Li, Rongfang; Ma, Lufang; Feng, Xun; Ding, Yuqiang","Influences of the protonic state of an imidazole-phenanthroline ligand on the luminescence properties of copper(i) complexes: experimental and theoretical research","New J. Chem.","2016","40","1","619","","10.1039/C5NJ02100F","","","0.71073","MoKα","","0.1352","0.0805","","","0.1693","0.2007","","","","","","0.95","","","","has coordinates","173501","2020-10-21","18:00:00",""
"7055261","12.143","0.0013","14.0076","0.0014","14.3167","0.0014","107.833","0.002","93.586","0.002","92.363","0.002","2309","0.4","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C48 H40 Cu2 N4 O12 P4 -","- C48 H40 Cu2 N4 O12 P4 -","- C96 H80 Cu4 N8 O24 P8 -","2","1","","Zhu, Yan-Yu; Wang, Mei-Ling; Ma, Ming-Xue; Sun, Zhen-Gang; Jiao, Cheng-Qi; Ma, Chao; Li, Huan-Yu","Transition metal phosphonates with supramolecular structures: syntheses, structures, surface photovoltage and luminescence properties","New J. Chem.","2016","40","1","578","","10.1039/C5NJ02417J","","","0.71073","MoKα","","0.0761","0.0475","","","0.1204","0.139","","","","","","1.016","","","","has coordinates,has disorder","173502","2020-10-21","18:00:00",""
"7055262","11.1636","0.0006","11.3733","0.0006","11.8809","0.0006","105.563","0.001","114.973","0.001","103.195","0.001","1212.38","0.11","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C24 H20 N2 O6 P2 Zn -","- C24 H20 N2 O6 P2 Zn -","- C48 H40 N4 O12 P4 Zn2 -","2","1","","Zhu, Yan-Yu; Wang, Mei-Ling; Ma, Ming-Xue; Sun, Zhen-Gang; Jiao, Cheng-Qi; Ma, Chao; Li, Huan-Yu","Transition metal phosphonates with supramolecular structures: syntheses, structures, surface photovoltage and luminescence properties","New J. Chem.","2016","40","1","578","","10.1039/C5NJ02417J","","","0.71073","MoKα","","0.0319","0.0266","","","0.0666","0.0698","","","","","","1.042","","","","has coordinates","173502","2020-10-21","18:00:00",""
"7055263","13.0305","0.0008","14.3151","0.0009","17.8602","0.001","90","","111.826","0.004","90","","3092.7","0.3","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C30 H27 Mn N2 O9 P3 -","- C30 H27 Mn N2 O9 P3 -","- C120 H108 Mn4 N8 O36 P12 -","4","1","","Zhu, Yan-Yu; Wang, Mei-Ling; Ma, Ming-Xue; Sun, Zhen-Gang; Jiao, Cheng-Qi; Ma, Chao; Li, Huan-Yu","Transition metal phosphonates with supramolecular structures: syntheses, structures, surface photovoltage and luminescence properties","New J. Chem.","2016","40","1","578","","10.1039/C5NJ02417J","","","0.71073","MoKα","","0.0478","0.0321","","","0.0813","0.0901","","","","","","1.015","","","","has coordinates,has disorder","173502","2020-10-21","18:00:00",""
"7055264","13.1419","0.0006","14.4775","0.0007","17.4996","0.0008","90","","110.441","0.001","90","","3119.9","0.3","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C30 H27 Cd N2 O9 P3 -","- C30 H27 Cd N2 O9 P3 -","- C120 H108 Cd4 N8 O36 P12 -","4","1","","Zhu, Yan-Yu; Wang, Mei-Ling; Ma, Ming-Xue; Sun, Zhen-Gang; Jiao, Cheng-Qi; Ma, Chao; Li, Huan-Yu","Transition metal phosphonates with supramolecular structures: syntheses, structures, surface photovoltage and luminescence properties","New J. Chem.","2016","40","1","578","","10.1039/C5NJ02417J","","","0.71073","MoKα","","0.0444","0.0318","","","0.0729","0.0804","","","","","","1.021","","","","has coordinates","173502","2020-10-21","18:00:00",""
"7055265","6.534","0.0001","25.7728","0.0005","8.4563","0.0006","90","","97.402","0.007","90","","1412.17","0.11","93","2","93","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C16 H20 N2 O3 -","- C16 H20 N2 O3 -","- C64 H80 N8 O12 -","4","1","","Bloomfield, Aaron J.; Chaudhuri, Subhajyoti; Mercado, Brandon Q.; Batista, Victor S.; Crabtree, Robert H.","Facile solvolysis of a surprisingly twisted tertiary amide","New J. Chem.","2016","40","3","1974","","10.1039/C5NJ02449H","","","0.71075","MoKα","","0.0506","0.0414","","","0.1033","0.1081","","","","","","1.145","","","","has coordinates","181769","2020-10-21","18:00:00",""
"7055266","7.1666","0.0008","10.518","0.0012","20.8","0.003","75.729","0.005","82.329","0.006","82.895","0.006","1499.1","0.3","93","2","93","2","","","","","","","","4","P -1","-P 1","2","","","","- C17 H22 N2 O3 -","- C17 H22 N2 O3 -","- C68 H88 N8 O12 -","4","2","","Bloomfield, Aaron J.; Chaudhuri, Subhajyoti; Mercado, Brandon Q.; Batista, Victor S.; Crabtree, Robert H.","Facile solvolysis of a surprisingly twisted tertiary amide","New J. Chem.","2016","40","3","1974","","10.1039/C5NJ02449H","","","0.71075","MoKα","","0.1399","0.0837","","","0.1191","0.1324","","","","","","1.13","","","","has coordinates","181769","2020-10-21","18:00:00",""
"7055267","7.3641","0.0007","13.8244","0.0019","16.9502","0.0019","90","","90","","90","","1725.6","0.3","200","2","200","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C6 H10 Au Cl N2 -","- C6 H10 Au Cl N2 -","- C48 H80 Au8 Cl8 N16 -","8","1","","Chou, Chang-Chuan; Yang, Chia-Chi; Chang, Hao-Ching; Lee, Way-Zen; Kuo, Ting-Shen","Weaving an infinite 3-D supramolecular network via AuI⋯AuIIIaurophilicity and C‒H⋯Cl hydrogen bonding","New J. Chem.","2016","40","3","1944","","10.1039/C5NJ02860D","","","0.71073","MoKα","","0.0634","0.0357","","","0.0629","0.0709","","","","","","1.021","","","","has coordinates","181757","2020-10-21","18:00:00",""
"7055268","8.4029","0.0005","20.7542","0.0011","13.5645","0.0008","90","","99.439","0.002","90","","2333.6","0.2","200","2","200","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C12 H20 Au N5 O3 -","- C12 H20.3333 Au N5 O3 -","- C72 H122 Au6 N30 O18 -","6","1.5","","Chou, Chang-Chuan; Yang, Chia-Chi; Chang, Hao-Ching; Lee, Way-Zen; Kuo, Ting-Shen","Weaving an infinite 3-D supramolecular network via AuI⋯AuIIIaurophilicity and C‒H⋯Cl hydrogen bonding","New J. Chem.","2016","40","3","1944","","10.1039/C5NJ02860D","","","0.71073","MoKα","","0.0365","0.0323","","","0.0767","0.0787","","","","","","1.117","","","","has coordinates","181757","2020-10-21","18:00:00",""
"7055269","8.5936","0.0014","13.854","0.002","14.342","0.002","77.941","0.002","82.224","0.003","77.872","0.003","1625.1","0.4","200","2","200","2","","","","","","","","6","P -1","-P 1","2","","","","- C12 H20 Au B F4 N4 -","- C12 H20 Au B F4 N4 -","- C48 H80 Au4 B4 F16 N16 -","4","2","","Chou, Chang-Chuan; Yang, Chia-Chi; Chang, Hao-Ching; Lee, Way-Zen; Kuo, Ting-Shen","Weaving an infinite 3-D supramolecular network via AuI⋯AuIIIaurophilicity and C‒H⋯Cl hydrogen bonding","New J. Chem.","2016","40","3","1944","","10.1039/C5NJ02860D","","","0.71073","MoKα","","0.0387","0.0314","","","0.0768","0.08","","","","","","1.082","","","","has coordinates","181757","2020-10-21","18:00:00",""
"7055270","7.45","0.002","7.938","0.002","8.481","0.003","89.041","0.007","84.027","0.007","68.263","0.005","463.2","0.2","200","2","200","2","","","","","","","","6","P -1","-P 1","2","","","","- C12 H20 Au F6 N4 Sb -","- C12 H20 Au F6 N4 Sb -","- C12 H20 Au F6 N4 Sb -","1","0.5","","Chou, Chang-Chuan; Yang, Chia-Chi; Chang, Hao-Ching; Lee, Way-Zen; Kuo, Ting-Shen","Weaving an infinite 3-D supramolecular network via AuI⋯AuIIIaurophilicity and C‒H⋯Cl hydrogen bonding","New J. Chem.","2016","40","3","1944","","10.1039/C5NJ02860D","","","0.71073","MoKα","","0.058","0.0531","","","0.1368","0.141","","","","","","1.158","","","","has coordinates","181757","2020-10-21","18:00:00",""
"7055271","6.6824","0.0004","8.2695","0.0005","17.5884","0.001","90","","90.01","0.002","90","","971.94","0.1","200","2","200","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C12 H20 Au2 Cl4 N4 -","- C12 H20 Au2 Cl4 N4 -","- C24 H40 Au4 Cl8 N8 -","2","0.5","","Chou, Chang-Chuan; Yang, Chia-Chi; Chang, Hao-Ching; Lee, Way-Zen; Kuo, Ting-Shen","Weaving an infinite 3-D supramolecular network via AuI⋯AuIIIaurophilicity and C‒H⋯Cl hydrogen bonding","New J. Chem.","2016","40","3","1944","","10.1039/C5NJ02860D","","","0.71073","MoKα","","0.064","0.0288","","","0.0517","0.062","","","","","","1.037","","","","has coordinates","181757","2020-10-21","18:00:00",""
"7055272","12.365","0.009","15.377","0.011","7.396","0.005","90","","104.715","0.008","90","","1360.1","1.7","110.15","","110.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","N'-(2-oxoindolin-3-ylidene)pyrrolidine-1-carbothiohydrazide","","- C13 H16 N4 O2 S -","- C13 H16 N4 O2 S -","- C52 H64 N16 O8 S4 -","4","1","","Muralisankar, Mathiyan; Bhuvanesh, Nattamai S. P.; Sreekanth, Anandaram","Synthesis, X-ray crystal structure, DNA/protein binding and DNA cleavage studies of novel copper(ii) complexes of N-substituted isatin thiosemicarbazone ligands","New J. Chem.","2016","40","3","2661","","10.1039/C5NJ02806J","","","0.71073","MoKα","","0.0469","0.0384","","","0.093","0.0974","","","","","","1.034","","","","has coordinates","181760","2020-10-21","18:00:00",""
"7055273","21.514","0.019","9.287","0.007","15.869","0.012","90","","107.718","0.014","90","","3020","4","110.15","","110.15","","","","","","","","433K","5","C 1 2/c 1","-C 2yc","15","","(Z)-N'-(1-allyl-2-oxoindolin-3-ylidene)pyrrolidine-1-carbothiohydrazide","","- C16 H18 N4 O S -","- C16 H18 N4 O S -","- C128 H144 N32 O8 S8 -","8","1","","Muralisankar, Mathiyan; Bhuvanesh, Nattamai S. P.; Sreekanth, Anandaram","Synthesis, X-ray crystal structure, DNA/protein binding and DNA cleavage studies of novel copper(ii) complexes of N-substituted isatin thiosemicarbazone ligands","New J. Chem.","2016","40","3","2661","","10.1039/C5NJ02806J","","","0.71073","MoKα","","0.0531","0.0385","","","0.0847","0.092","","","","","","1.031","","","","has coordinates","181760","2020-10-21","18:00:00",""
"7055274","8.009","0.0017","19.621","0.004","11.51","0.003","90","","94.636","0.002","90","","1802.8","0.7","110.15","","110.15","","","","","","","","METHANOL / ACEONITRILE","5","P 1 21/n 1","-P 2yn","14","","N'-(1-benzyl-2-oxoindolin-3-ylidene)pyrrolidine-1-carbothiohydrazide","","- C20 H20 N4 O S -","- C20 H20 N4 O S -","- C80 H80 N16 O4 S4 -","4","1","","Muralisankar, Mathiyan; Bhuvanesh, Nattamai S. P.; Sreekanth, Anandaram","Synthesis, X-ray crystal structure, DNA/protein binding and DNA cleavage studies of novel copper(ii) complexes of N-substituted isatin thiosemicarbazone ligands","New J. Chem.","2016","40","3","2661","","10.1039/C5NJ02806J","","","0.71073","MoKα","","0.0553","0.0404","","","0.0886","0.0962","","","","","","1.023","","","","has coordinates","181760","2020-10-21","18:00:00",""
"7055275","8.352","0.006","8.874","0.006","13.617","0.009","79.406","0.007","81.424","0.007","64.639","0.007","893.6","1.1","150.15","","150.15","","","","","","","","","5","P -1","-P 1","2","","N'-(2-oxo-1-pentylindolin-3-ylidene)pyrrolidine-1-carbothiohydrazide","","- C18 H24 N4 O S -","- C18 H24 N4 O S -","- C36 H48 N8 O2 S2 -","2","1","","Muralisankar, Mathiyan; Bhuvanesh, Nattamai S. P.; Sreekanth, Anandaram","Synthesis, X-ray crystal structure, DNA/protein binding and DNA cleavage studies of novel copper(ii) complexes of N-substituted isatin thiosemicarbazone ligands","New J. Chem.","2016","40","3","2661","","10.1039/C5NJ02806J","","","0.71073","MoKα","","0.0731","0.0501","","","0.1176","0.1284","","","","","","1.062","","","","has coordinates","181760","2020-10-21","18:00:00",""
"7055276","21.496","0.008","9.118","0.003","15.908","0.005","90","","108.156","0.006","90","","2962.7","1.7","110.15","","110.15","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","N'-(2-oxo-1-(prop-2-yn-1-yl)indolin-3-ylidene)pyrrolidine-1-carbothiohydrazide","","- C16 H16 N4 O S -","- C16 H16 N4 O S -","- C128 H128 N32 O8 S8 -","8","1","","Muralisankar, Mathiyan; Bhuvanesh, Nattamai S. P.; Sreekanth, Anandaram","Synthesis, X-ray crystal structure, DNA/protein binding and DNA cleavage studies of novel copper(ii) complexes of N-substituted isatin thiosemicarbazone ligands","New J. Chem.","2016","40","3","2661","","10.1039/C5NJ02806J","","","0.71073","MoKα","","0.0345","0.0304","","","0.0748","0.0777","","","","","","1.023","","","","has coordinates","181760","2020-10-21","18:00:00",""
"7055277","8.984","0.003","9.757","0.004","10.524","0.004","105.822","0.004","98.341","0.004","108.844","0.004","812","0.5","150.15","","150.15","","","","","","","","","7","P -1","-P 1","2","","N'-(1-allyl-2-oxoindolin-3-ylidene)pyrrolidine-1-carbothiohydrazide) copper(II) complex","","- C16 H17 Cl Cu N4 O S -","- C16 H17 Cl Cu N4 O S -","- C32 H34 Cl2 Cu2 N8 O2 S2 -","2","1","","Muralisankar, Mathiyan; Bhuvanesh, Nattamai S. P.; Sreekanth, Anandaram","Synthesis, X-ray crystal structure, DNA/protein binding and DNA cleavage studies of novel copper(ii) complexes of N-substituted isatin thiosemicarbazone ligands","New J. Chem.","2016","40","3","2661","","10.1039/C5NJ02806J","","","0.71073","MoKα","","0.0382","0.0333","","","0.0879","0.0913","","","","","","1.063","","","","has coordinates","181760","2020-10-21","18:00:00",""
"7055278","6.7997","0.0005","9.5387","0.0008","24.3565","0.0019","90","","95.512","0.008","90","","1572.5","0.2","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Pyridazine hydrazine compound","","- C15 H18 Cl N5 O -","- C15 H18 Cl N5 O -","- C60 H72 Cl4 N20 O4 -","4","1","","Rafi, Ummer Muhammed; Mahendiran, Dharmasivam; Haleel, Azees Khan; Nankar, Rakesh Pandeet; Doble, Mukesh; Rahiman, Aziz Kalilur","New pyridazine-based binuclear nickel(ii), copper(ii) and zinc(ii) complexes as prospective anticancer agents","New J. Chem.","2016","40","3","2451","","10.1039/C5NJ02739J","","","0.71073","MoKα","","0.153","0.0873","","","0.1891","0.215","","","","","","1.085","","","","has coordinates","181766","2020-10-21","18:00:00",""
"7055279","14.964","0.008","24.495","0.014","15.987","0.009","90","","109.982","0.006","90","","5507","5","296","2","296","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C104 H100 F12 Ir4 N12 O16 S4 -","- C104 H100 F12 Ir4 N12 O16 S4 -","- C208 H200 F24 Ir8 N24 O32 S8 -","2","0.5","","Yu, Wei-Bin; He, Qing-Ya; Shi, Hua-Tian; Wei, Xianwen","Heterogeneous catalysis of water oxidation supported by a novel metallamacrocycle","New J. Chem.","2016","40","3","2354","","10.1039/C5NJ02931G","","","0.71073","MoKα","","0.1351","0.0832","","","0.2069","0.2374","","","","","","0.855","","","","has coordinates","181772","2020-10-21","18:00:00",""
"7055280","14.94","0.004","24.403","0.006","15.917","0.004","90","","109.611","0.003","90","","5466","2","296","2","296","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C104 H100 F12 N12 O16 Rh4 S4 -","- C104 H100 F12 N12 O16 Rh4 S4 -","- C208 H200 F24 N24 O32 Rh8 S8 -","2","0.5","","Yu, Wei-Bin; He, Qing-Ya; Shi, Hua-Tian; Wei, Xianwen","Heterogeneous catalysis of water oxidation supported by a novel metallamacrocycle","New J. Chem.","2016","40","3","2354","","10.1039/C5NJ02931G","","","0.71073","MoKα","","0.1206","0.072","","","0.1871","0.2075","","","","","","1.096","","","","has coordinates","181772","2020-10-21","18:00:00",""
"7055281","8.5367","0.0004","10.2206","0.0005","16.4268","0.0008","90","","93.899","0.001","90","","1429.92","0.12","270","","270","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C26 H20 Fe N14 S2 -","- C26 H20 Fe N14 S2 -","- C52 H40 Fe2 N28 S4 -","2","0.5","","Mason, Helen E.; Li, Wei; Carpenter, Michael A.; Hamilton, Michelle L.; Howard, Judith A. K.; Sparkes, Hazel A.","Structural and spectroscopic characterisation of the spin crossover in [Fe(abpt)2(NCS)2] polymorph A","New J. Chem.","2016","40","3","2466","","10.1039/C5NJ02359A","","x-ray","0.71073","MoKα","K-L~3~","0.0581","0.0362","","","0.0845","0.0929","","","","","","1.034","","","","has coordinates","181752","2020-10-21","18:00:00",""
"7055282","8.5008","0.0003","10.1744","0.0004","16.3606","0.0006","90","","93.684","0.001","90","","1412.11","0.09","210","","210","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C26 H20 Fe N14 S2 -","- C26 H20 Fe N14 S2 -","- C52 H40 Fe2 N28 S4 -","2","0.5","","Mason, Helen E.; Li, Wei; Carpenter, Michael A.; Hamilton, Michelle L.; Howard, Judith A. K.; Sparkes, Hazel A.","Structural and spectroscopic characterisation of the spin crossover in [Fe(abpt)2(NCS)2] polymorph A","New J. Chem.","2016","40","3","2466","","10.1039/C5NJ02359A","","x-ray","0.71073","MoKα","K-L~3~","0.0484","0.032","","","0.0767","0.0835","","","","","","1.044","","","","has coordinates","181752","2020-10-21","18:00:00",""
"7055283","8.429","0.0004","10.0626","0.0005","16.2671","0.0008","90","","93.402","0.001","90","","1377.31","0.12","180","","180","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C26 H20 Fe N14 S2 -","- C26 H20 Fe N14 S2 -","- C52 H40 Fe2 N28 S4 -","2","0.5","","Mason, Helen E.; Li, Wei; Carpenter, Michael A.; Hamilton, Michelle L.; Howard, Judith A. K.; Sparkes, Hazel A.","Structural and spectroscopic characterisation of the spin crossover in [Fe(abpt)2(NCS)2] polymorph A","New J. Chem.","2016","40","3","2466","","10.1039/C5NJ02359A","","x-ray","0.71073","MoKα","K-L~3~","0.0507","0.0335","","","0.076","0.0824","","","","","","1.034","","","","has coordinates","181752","2020-10-21","18:00:00",""
"7055284","8.3913","0.0004","10.0025","0.0005","16.2339","0.0008","90","","93.321","0.001","90","","1360.29","0.12","165","","165","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C26 H20 Fe N14 S2 -","- C26 H20 Fe N14 S2 -","- C52 H40 Fe2 N28 S4 -","2","0.5","","Mason, Helen E.; Li, Wei; Carpenter, Michael A.; Hamilton, Michelle L.; Howard, Judith A. K.; Sparkes, Hazel A.","Structural and spectroscopic characterisation of the spin crossover in [Fe(abpt)2(NCS)2] polymorph A","New J. Chem.","2016","40","3","2466","","10.1039/C5NJ02359A","","x-ray","0.71073","MoKα","K-L~3~","0.0469","0.0311","","","0.0697","0.0755","","","","","","1.022","","","","has coordinates","181752","2020-10-21","18:00:00",""
"7055285","8.377","0.0009","9.982","0.0011","16.1977","0.0017","90","","93.306","0.002","90","","1352.2","0.3","150","","150","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C26 H20 Fe N14 S2 -","- C26 H20 Fe N14 S2 -","- C52 H40 Fe2 N28 S4 -","2","0.5","","Mason, Helen E.; Li, Wei; Carpenter, Michael A.; Hamilton, Michelle L.; Howard, Judith A. K.; Sparkes, Hazel A.","Structural and spectroscopic characterisation of the spin crossover in [Fe(abpt)2(NCS)2] polymorph A","New J. Chem.","2016","40","3","2466","","10.1039/C5NJ02359A","","x-ray","0.71073","MoKα","K-L~3~","0.0413","0.0293","","","0.07","0.0752","","","","","","1.043","","","","has coordinates","181752","2020-10-21","18:00:00",""
"7055286","8.3636","0.0008","9.9597","0.001","16.1984","0.0016","90","","93.114","0.002","90","","1347.3","0.2","120","","120","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C26 H20 Fe N14 S2 -","- C26 H20 Fe N14 S2 -","- C52 H40 Fe2 N28 S4 -","2","0.5","","Mason, Helen E.; Li, Wei; Carpenter, Michael A.; Hamilton, Michelle L.; Howard, Judith A. K.; Sparkes, Hazel A.","Structural and spectroscopic characterisation of the spin crossover in [Fe(abpt)2(NCS)2] polymorph A","New J. Chem.","2016","40","3","2466","","10.1039/C5NJ02359A","","x-ray","0.71073","MoKα","K-L~3~","0.0463","0.0328","","","0.0762","0.0813","","","","","","1.04","","","","has coordinates","181752","2020-10-21","18:00:00",""
"7055287","8.3411","0.0004","9.9442","0.0005","16.1668","0.0008","90","","93.112","0.001","90","","1338.99","0.11","30","","30","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C26 H20 Fe N14 S2 -","- C26 H20 Fe N14 S2 -","- C52 H40 Fe2 N28 S4 -","2","0.5","","Mason, Helen E.; Li, Wei; Carpenter, Michael A.; Hamilton, Michelle L.; Howard, Judith A. K.; Sparkes, Hazel A.","Structural and spectroscopic characterisation of the spin crossover in [Fe(abpt)2(NCS)2] polymorph A","New J. Chem.","2016","40","3","2466","","10.1039/C5NJ02359A","","x-ray","0.71073","MoKα","K-L~3~","0.051","0.0341","","","0.0797","0.0859","","","","","","1.04","","","","has coordinates","181752","2020-10-21","18:00:00",""
"7055288","8.4505","0.0004","10.1273","0.0005","16.3033","0.0008","90","","93.491","0.001","90","","1392.66","0.12","30","","30","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C26 H20 Fe N14 S2 -","- C26 H20 Fe N14 S2 -","- C52 H40 Fe2 N28 S4 -","2","0.5","","Mason, Helen E.; Li, Wei; Carpenter, Michael A.; Hamilton, Michelle L.; Howard, Judith A. K.; Sparkes, Hazel A.","Structural and spectroscopic characterisation of the spin crossover in [Fe(abpt)2(NCS)2] polymorph A","New J. Chem.","2016","40","3","2466","","10.1039/C5NJ02359A","","x-ray","0.71073","MoKα","K-L~3~","0.0388","0.0311","","","0.0727","0.0758","","","","","","1.049","","","","has coordinates","181752","2020-10-21","18:00:00",""
"7055289","8.552","0.003","10.236","0.006","16.444","0.006","90","","93.978","0.011","90","","1436","1.1","296.15","0.02","296.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","bis(4-amino-3,5-bis(pyridin-2-yl)-1,2,4-triazole)-bis(isothiocyanato)-iron(II)","","- C26 H20 Fe N14 S2 -","- C26 H20 Fe N14 S2 -","- C52 H40 Fe2 N28 S4 -","2","0.5","","Mason, Helen E.; Li, Wei; Carpenter, Michael A.; Hamilton, Michelle L.; Howard, Judith A. K.; Sparkes, Hazel A.","Structural and spectroscopic characterisation of the spin crossover in [Fe(abpt)2(NCS)2] polymorph A","New J. Chem.","2016","40","3","2466","","10.1039/C5NJ02359A","","x-ray","0.56086","AgKα","","0.0616","0.043","","","0.0987","0.1098","","","","","","1.13","","","","has coordinates","181752","2020-10-21","18:00:00",""
"7055290","8.484","0.002","10.159","0.005","16.253","0.005","90","","93.894","0.012","90","","1397.6","0.9","296","2","296.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","bis(4-amino-3,5-bis(pyridin-2-yl)-1,2,4-triazole)-bis(isothiocyanato)-iron(II)","","- C26 H20 Fe N14 S2 -","- C26 H20 Fe N14 S2 -","- C52 H40 Fe2 N28 S4 -","2","0.5","","Mason, Helen E.; Li, Wei; Carpenter, Michael A.; Hamilton, Michelle L.; Howard, Judith A. K.; Sparkes, Hazel A.","Structural and spectroscopic characterisation of the spin crossover in [Fe(abpt)2(NCS)2] polymorph A","New J. Chem.","2016","40","3","2466","","10.1039/C5NJ02359A","","x-ray","0.56086","AgKα","","0.0428","0.0277","","","0.0561","0.062","","","","","","1.055","","","","has coordinates","181752","2020-10-21","18:00:00",""
"7055291","8.344","0.0015","9.955","0.003","15.96","0.003","90","","93.414","0.007","90","","1323.4","0.5","296","2","296.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","bis(4-amino-3,5-bis(pyridin-2-yl)-1,2,4-triazole)-bis(isothiocyanato)-iron(II)","","- C26 H20 Fe N14 S2 -","- C26 H20 Fe N14 S2 -","- C52 H40 Fe2 N28 S4 -","2","0.5","","Mason, Helen E.; Li, Wei; Carpenter, Michael A.; Hamilton, Michelle L.; Howard, Judith A. K.; Sparkes, Hazel A.","Structural and spectroscopic characterisation of the spin crossover in [Fe(abpt)2(NCS)2] polymorph A","New J. Chem.","2016","40","3","2466","","10.1039/C5NJ02359A","","x-ray","0.56086","AgKα","","0.031","0.0229","","","0.0492","0.053","","","","","","1.052","","","","has coordinates","181752","2020-10-21","18:00:00",""
"7055292","8.908","0.0008","10.6498","0.001","14.862","0.0015","90","","96.901","0.002","90","","1399.7","0.2","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C30 H24 Cl2 Co N8 -","- C30 H24 Cl2 Co N8 -","- C60 H48 Cl4 Co2 N16 -","2","0.5","","Santos, Carina; Gómez, Margarita; Álvarez, Eleuterio; Ngoune, Jean; Marchetti, Fabio; Pettinari, Riccardo; Pettinari, Claudio","Group 9 and 10 complexes with the bidentate di(1H-indazol-1-yl)methane and di(2H-indazol-2-yl)methane ligands: synthesis and structural characterization","New J. Chem.","2016","40","7","5695","","10.1039/C5NJ03135D","","","0.71073","MoKα","","0.0441","0.0342","","","0.0838","0.0892","","","","","","1.038","","","","has coordinates","185565","2020-10-21","18:00:00",""
"7055293","8.348","0.001","10.8244","0.0013","12.3168","0.0015","71.218","0.003","74.121","0.003","68.217","0.003","963.3","0.2","291","2","291","2","","","","","","","","6","P -1","-P 1","2","","","","- C15 H20 Cl2 Co N4 O4 -","- C15 H20 Cl2 Co N4 O4 -","- C30 H40 Cl4 Co2 N8 O8 -","2","1","","Santos, Carina; Gómez, Margarita; Álvarez, Eleuterio; Ngoune, Jean; Marchetti, Fabio; Pettinari, Riccardo; Pettinari, Claudio","Group 9 and 10 complexes with the bidentate di(1H-indazol-1-yl)methane and di(2H-indazol-2-yl)methane ligands: synthesis and structural characterization","New J. Chem.","2016","40","7","5695","","10.1039/C5NJ03135D","","","0.71073","MoKα","","0.0637","0.0441","","","0.1111","0.1195","","","","","","1.032","","","","has coordinates","185565","2020-10-21","18:00:00",""
"7055294","8.933","0.002","10.599","0.002","14.768","0.003","90","","96.79","0.011","90","","1388.4","0.5","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C30 H24 Cl2 N8 Ni -","- C30 H24 Cl2 N8 Ni -","- C60 H48 Cl4 N16 Ni2 -","2","0.5","","Santos, Carina; Gómez, Margarita; Álvarez, Eleuterio; Ngoune, Jean; Marchetti, Fabio; Pettinari, Riccardo; Pettinari, Claudio","Group 9 and 10 complexes with the bidentate di(1H-indazol-1-yl)methane and di(2H-indazol-2-yl)methane ligands: synthesis and structural characterization","New J. Chem.","2016","40","7","5695","","10.1039/C5NJ03135D","","","0.71073","MoKα","","0.1266","0.0567","","","0.1172","0.1338","","","","","","0.921","","","","has coordinates","185565","2020-10-21","18:00:00",""
"7055295","29.0224","0.0014","12.4346","0.0008","21.629","0.002","90","","124.944","0.002","90","","6398.3","0.8","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C30 H24 Cl2 N8 Pd -","- C30 H24 Cl2 N8 Pd -","- C240 H192 Cl16 N64 Pd8 -","8","1","","Santos, Carina; Gómez, Margarita; Álvarez, Eleuterio; Ngoune, Jean; Marchetti, Fabio; Pettinari, Riccardo; Pettinari, Claudio","Group 9 and 10 complexes with the bidentate di(1H-indazol-1-yl)methane and di(2H-indazol-2-yl)methane ligands: synthesis and structural characterization","New J. Chem.","2016","40","7","5695","","10.1039/C5NJ03135D","","","0.71073","MoKα","","0.0656","0.049","","","0.1261","0.1329","","","","","","1.079","","","","has coordinates","185565","2020-10-21","18:00:00",""
"7055296","10.034","0.003","10.625","0.003","10.67","0.003","85.207","0.009","76.725","0.01","89.439","0.009","1103.2","0.6","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C19 H18 N4 O4 Pd -","- C19 H18 N4 O4 Pd -","- C38 H36 N8 O8 Pd2 -","2","1","","Santos, Carina; Gómez, Margarita; Álvarez, Eleuterio; Ngoune, Jean; Marchetti, Fabio; Pettinari, Riccardo; Pettinari, Claudio","Group 9 and 10 complexes with the bidentate di(1H-indazol-1-yl)methane and di(2H-indazol-2-yl)methane ligands: synthesis and structural characterization","New J. Chem.","2016","40","7","5695","","10.1039/C5NJ03135D","","","0.71073","MoKα","","0.0452","0.0382","","","0.0978","0.1001","","","","","","1.057","","","","has coordinates","185565","2020-10-21","18:00:00",""
"7055297","8.8396","0.0004","10.93","0.0006","11.5282","0.0006","111.805","0.001","97.545","0.001","96.291","0.001","1009.89","0.09","291","2","291","2","","","","","","","","5","P -1","-P 1","2","","","","- C19 H20 N4 O5 Pd -","- C19 H20 N4 O5 Pd -","- C38 H40 N8 O10 Pd2 -","2","1","","Santos, Carina; Gómez, Margarita; Álvarez, Eleuterio; Ngoune, Jean; Marchetti, Fabio; Pettinari, Riccardo; Pettinari, Claudio","Group 9 and 10 complexes with the bidentate di(1H-indazol-1-yl)methane and di(2H-indazol-2-yl)methane ligands: synthesis and structural characterization","New J. Chem.","2016","40","7","5695","","10.1039/C5NJ03135D","","","0.71073","MoKα","","0.0264","0.0227","","","0.059","0.0609","","","","","","1.05","","","","has coordinates","185565","2020-10-21","18:00:00",""
"7055298","6.9512","0.0004","29.5028","0.0018","7.4215","0.0005","90","","108.876","0.006","90","","1440.15","0.16","120","0.1","120","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C18 H14 N2 O2 -","- C18 H14 N2 O2 -","- C72 H56 N8 O8 -","4","1","","Yousef Ebrahimipour, S.; Sheikhshoaie, Iran; Simpson, Jim; Ebrahimnejad, Hadi; Dusek, Michal; Kharazmi, Nima; Eigner, Vaclav","Antimicrobial activity of aroylhydrazone-based oxido vanadium(v) complexes: in vitro and in silico studies","New J. Chem.","2016","40","3","2401","","10.1039/C5NJ02594J","","x-ray","1.54184","CuKα","","0.0428","0.0356","","","0.0953","0.1035","","","","1.24","1.24","1.21","","","","has coordinates","181762","2020-10-21","18:00:00",""
"7055299","17.8457","0.0018","5.9203","0.0005","18.1622","0.0013","90","","110.679","0.008","90","","1795.2","0.3","120","0.1","120","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H17 N2 O4 V -","- C20 H17 N2 O4 V -","- C80 H68 N8 O16 V4 -","4","1","","Yousef Ebrahimipour, S.; Sheikhshoaie, Iran; Simpson, Jim; Ebrahimnejad, Hadi; Dusek, Michal; Kharazmi, Nima; Eigner, Vaclav","Antimicrobial activity of aroylhydrazone-based oxido vanadium(v) complexes: in vitro and in silico studies","New J. Chem.","2016","40","3","2401","","10.1039/C5NJ02594J","","x-ray","1.54184","CuKα","","0.07","0.051","","","0.1177","0.132","","","","1.35","1.35","1.28","","","","has coordinates","181762","2020-10-21","18:00:00",""
"7055300","34.6714","0.0016","6.0918","0.0003","17.8955","0.0005","90","","97.143","0.003","90","","3750.4","0.3","120","0.1","120","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C21 H19 N2 O4 V -","- C21 H19 N2 O4 V -","- C168 H152 N16 O32 V8 -","8","1","","Yousef Ebrahimipour, S.; Sheikhshoaie, Iran; Simpson, Jim; Ebrahimnejad, Hadi; Dusek, Michal; Kharazmi, Nima; Eigner, Vaclav","Antimicrobial activity of aroylhydrazone-based oxido vanadium(v) complexes: in vitro and in silico studies","New J. Chem.","2016","40","3","2401","","10.1039/C5NJ02594J","","x-ray","1.54184","CuKα","","0.0592","0.0385","","","0.0887","0.1001","","","","1.2","1.2","1.14","","","","has coordinates","181762","2020-10-21","18:00:00",""
"7055301","12.797","0.0008","7.84","0.0004","19.3207","0.0013","90","","104.308","0.005","90","","1878.3","0.2","121","2","121","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H19 N2 O5 V -","- C20 H19 N2 O5 V -","- C80 H76 N8 O20 V4 -","4","1","","Yousef Ebrahimipour, S.; Sheikhshoaie, Iran; Simpson, Jim; Ebrahimnejad, Hadi; Dusek, Michal; Kharazmi, Nima; Eigner, Vaclav","Antimicrobial activity of aroylhydrazone-based oxido vanadium(v) complexes: in vitro and in silico studies","New J. Chem.","2016","40","3","2401","","10.1039/C5NJ02594J","","x-ray","0.71073","MoKα","","0.0378","0.0324","","","0.0969","0.1007","","","","1.88","1.88","1.83","","","","has coordinates","181762","2020-10-21","18:00:00",""
"7055302","11.2437","0.0005","15.033","0.0008","23.3412","0.0011","90","","90","","90","","3945.3","0.3","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C49 H39 N3 Pt -","- C49 H39 N3 Pt -","- C196 H156 N12 Pt4 -","4","1","","Zhang, Xiao-Peng; Liu, Fu-Qiang; Lai, Jian-Cheng; Li, Cheng-Hui; Li, Ai-Min; You, Xiao-Zeng","Novel redox responsive chiral cyclometalated platinum(ii) complexes with pinene functionalized C^N^N ligands","New J. Chem.","2016","40","3","2628","","10.1039/C5NJ02932E","","","0.71073","MoKα","","0.0283","0.0252","","","0.0624","0.0635","","","","","","1.042","","","","has coordinates,has disorder","181754","2020-10-21","18:00:00",""
"7055303","14.7779","0.0006","14.8743","0.0006","16.8574","0.0007","90","","90","","90","","3705.4","0.3","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C47 H36 N2 Pt -","- C47 H36 N2 Pt -","- C188 H144 N8 Pt4 -","4","1","","Zhang, Xiao-Peng; Liu, Fu-Qiang; Lai, Jian-Cheng; Li, Cheng-Hui; Li, Ai-Min; You, Xiao-Zeng","Novel redox responsive chiral cyclometalated platinum(ii) complexes with pinene functionalized C^N^N ligands","New J. Chem.","2016","40","3","2628","","10.1039/C5NJ02932E","","","0.71073","MoKα","","0.0312","0.0269","","","0.0666","0.0682","","","","","","1.006","","","","has coordinates","181754","2020-10-21","18:00:00",""
"7055304","6.2864","0.0016","6.4124","0.0016","17.4","0.004","91.512","0.004","95.518","0.004","96.508","0.004","693.2","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H38 N4 S4 Tl2 -","- C22 H38 N4 S4 Tl2 -","- C22 H38 N4 S4 Tl2 -","1","0.5","","Ramalingam, Kuppukkannu; Rizzoli, Corrado; Sivagurunathan, Gurunathan Senthilkumar","Mono and trivalent thallium‒sulfur interactions and their influence on the formation of nano thallium sulphide: single crystal X-ray structural and spectral studies on thallium(i)/(iii)‒cyclohexylpiperazine dithiocarbamates","New J. Chem.","2016","40","3","2489","","10.1039/C5NJ02980E","","","0.71073","MoKα","","0.0928","0.0751","","","0.2208","0.2309","","","","","","1.045","","","","has coordinates,has disorder","181768","2020-10-21","18:00:00",""
"7055305","10.218","0.003","14.477","0.004","16.718","0.004","77.688","0.004","75.525","0.004","88.076","0.005","2338.9","1.1","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","","","- C39 H63 N6 S6 Tl -","- C39 H63 N6 S6 Tl -","- C78 H126 N12 S12 Tl2 -","2","1","","Ramalingam, Kuppukkannu; Rizzoli, Corrado; Sivagurunathan, Gurunathan Senthilkumar","Mono and trivalent thallium–sulfur interactions and their influence on the formation of nano thallium sulphide: single crystal X-ray structural and spectral studies on thallium(i)/(iii)–cyclohexylpiperazine dithiocarbamates","New J. Chem.","2016","40","3","2489","","10.1039/C5NJ02980E","","","0.71073","MoKα","","0.0784","0.0449","","","0.1095","0.1269","","","","","","0.952","","","","has coordinates,has disorder","288505","2023-12-22","15:12:03",""
"7055306","37.539","0.004","5.9129","0.0004","26.321","0.005","90","","121.1","0.02","90","","5002.6","1.6","295","2","295","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","Potassium 2-{[(Z)-(2-hydroxy-3-methoxyphenyl)methylidene]amino}ethanesulfonate","","- C10 H12 K N O5 S -","- C10 H12 K N O5 S -","- C160 H192 K16 N16 O80 S16 -","16","2","","Pis Diez, Reinaldo; Echeverría, Gustavo A.; Piro, Oscar E.; Jios, Jorge Luis; Parajón Costa, Beatriz Susana","Structural, Spectroscopic and Theoretical Study of an o-vanillin Schiff base derivative involved in enol-imine and keto-amine tautomerism","New J. Chem.","2016","","","","","10.1039/C5NJ01039J","","","0.71073","MoKα","","0.0855","0.0499","","","0.1004","0.1191","","","","","","1.047","","","","has coordinates","187017","2020-10-21","18:00:00",""
"7055307","22.497","0.004","19.421","0.003","12.646","0.002","90","","90","","90","","5525.2","1.6","293","2","293","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C18 H18 Cd N4 O4 -","- C18 H18 Cd N4 O4 -","- C144 H144 Cd8 N32 O32 -","8","1","","Tomar, Kapil; Gupta, Anoop K.; Gupta, Mayank","Change in synthetic strategy for MOF fabrication: from 2D non-porous to 3D porous architecture and its sorption and emission property studies","New J. Chem.","2016","40","3","1953","","10.1039/C5NJ03044G","","","0.71073","MoKα","","0.0633","0.0485","","","0.1241","0.1295","","","","","","1.056","","","","has coordinates,has disorder","181755","2020-10-21","18:00:00",""
"7055308","11.616","0.004","11.825","0.004","36.389","0.011","90","","90","","90","","4998","3","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C54 H42 N10 O8 Zn2 -","- C54 H42 N10 O8 Zn2 -","- C216 H168 N40 O32 Zn8 -","4","1","","Cheng, Hong-Jian; Shen, Ya-Li; Lu, Yi-Feng; Ma, Ji; Ji, Hong-Wei; Yin, Wen-Yu; Tang, Xiao-Yan; Ma, Yun-Sheng; Yuan, Rong-Xin","Alkyl group-directed assembly of coordination polymers based on bis-(4-imidazol-1-yl-phenyl)-amine and their photocatalytic properties","New J. Chem.","2016","40","3","2479","","10.1039/C5NJ02760H","","","0.71073","MoKα","","0.0674","0.0562","","","0.1393","0.1508","","","","","","1.073","","","","has coordinates","181763","2020-10-21","18:00:00",""
"7055309","16.404","0.004","11.977","0.003","20.202","0.005","90","","94.188","0.005","90","","3958.5","1.7","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C36 H37 Cd2 N5 O13 -","- C36 H37 Cd2 N5 O13 -","- C144 H148 Cd8 N20 O52 -","4","1","","Cheng, Hong-Jian; Shen, Ya-Li; Lu, Yi-Feng; Ma, Ji; Ji, Hong-Wei; Yin, Wen-Yu; Tang, Xiao-Yan; Ma, Yun-Sheng; Yuan, Rong-Xin","Alkyl group-directed assembly of coordination polymers based on bis-(4-imidazol-1-yl-phenyl)-amine and their photocatalytic properties","New J. Chem.","2016","40","3","2479","","10.1039/C5NJ02760H","","","0.71073","MoKα","","0.0497","0.0367","","","0.1129","0.1403","","","","","","1.067","","","","has coordinates","181763","2020-10-21","18:00:00",""
"7055310","12.0219","0.0008","11.4303","0.0008","23.9587","0.0015","90","","116.82","0.003","90","","2938.1","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C30 H31 N5 O6 Zn -","- C30 H31 N5 O6 Zn -","- C120 H124 N20 O24 Zn4 -","4","1","","Cheng, Hong-Jian; Shen, Ya-Li; Lu, Yi-Feng; Ma, Ji; Ji, Hong-Wei; Yin, Wen-Yu; Tang, Xiao-Yan; Ma, Yun-Sheng; Yuan, Rong-Xin","Alkyl group-directed assembly of coordination polymers based on bis-(4-imidazol-1-yl-phenyl)-amine and their photocatalytic properties","New J. Chem.","2016","40","3","2479","","10.1039/C5NJ02760H","","","0.71073","MoKα","","0.0694","0.0491","","","0.1402","0.1558","","","","","","1.036","","","","has coordinates,has disorder","181763","2020-10-21","18:00:00",""
"7055311","10.209","0.002","17.349","0.003","17.192","0.003","90","","96.73","0.03","90","","3024","1","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C30 H29 Cd N5 O5 -","- C30 H29 Cd N5 O5 -","- C120 H116 Cd4 N20 O20 -","4","1","","Cheng, Hong-Jian; Shen, Ya-Li; Lu, Yi-Feng; Ma, Ji; Ji, Hong-Wei; Yin, Wen-Yu; Tang, Xiao-Yan; Ma, Yun-Sheng; Yuan, Rong-Xin","Alkyl group-directed assembly of coordination polymers based on bis-(4-imidazol-1-yl-phenyl)-amine and their photocatalytic properties","New J. Chem.","2016","40","3","2479","","10.1039/C5NJ02760H","","","0.71073","MoKα","","0.0744","0.0511","","","0.115","0.1239","","","","","","1.084","","","","has coordinates,has disorder","181763","2020-10-21","18:00:00",""
"7055312","11.84","0.005","10.52","0.005","23.1","0.005","90","0.005","96.951","0.005","90","0.005","2856.1","1.9","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C32 H30 N4 O6 -","- C32 H30 N4 O6 -","- C128 H120 N16 O24 -","4","1","","Ghorai, Anupam; Mondal, Jahangir; Patra, Goutam K.","A new Schiff base and its metal complex as colorimetric and fluorescent‒colorimetric sensors for rapid detection of arginine","New J. Chem.","2016","40","9","7821","","10.1039/C5NJ02787J","","","0.71073","MoKα","","0.1756","0.0963","","","0.2211","0.286","","","","","","1.088","","","","has coordinates","186472","2020-10-21","18:00:00",""
"7055313","7.0612","0.0005","17.0603","0.0015","10.3203","0.001","90","","97.42","0.007","90","","1232.84","0.18","292.3","0.7","292.3","0.7","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C10 H17 N3 O3 -","- C10 H17 N3 O3 -","- C40 H68 N12 O12 -","4","1","","Wei, Tai-Bao; Zhu, Yuan-Rong; Li, Hui; Yan, Guo-Tao; Lin, Qi; Yao, Hong; Zhang, You-Ming","A reversible fluorescent chemosensor for the rapid sensing of CN−in water: utilization of the intramolecular charge transfer blocking","New J. Chem.","2016","40","3","2327","","10.1039/C5NJ02413G","","","0.71073","MoKα","","0.0979","0.0629","","","0.1739","0.2025","","","","","","1.102","","","","has coordinates","181767","2020-10-21","18:00:00",""
"7055314","10.0792","0.0002","15.6628","0.0003","26.4166","0.0005","90","","90","","90","","4170.35","0.14","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C79 H18 P -","- C79 H18 P -","- C316 H72 P4 -","4","1","","Konarev, Dmitri V.; Khasanov, Salavat S.; Kuz`min, Alexey V.; Otsuka, Akihiro; Yamochi, Hideki; Saito, Gunzi; Lyubovskaya, Rimma N.","Effective magnetic coupling with strong spin frustration in (Ph3MeP+)(C60•) and reversible C60• dimerization in (Ph3MeP+)(C60•)C6H5CN . Effect of solvent on structure and properties","New J. Chem.","2016","","","","","10.1039/C5NJ02886H","","","0.71073","MoKα","","0.074","0.0571","","","0.1262","0.1423","","","","","","1.136","","","","has coordinates,has disorder","211332","2020-10-21","18:00:00",""
"7055315","12.576","0.0018","13.8505","0.0017","15.035","0.002","101.006","0.011","113.801","0.013","90.849","0.011","2339.7","0.6","120","2","120","2","","","","","","","no","4","P -1","-P 1","2","no","fullerene C60 salt with triphenylmethylphosphonium cations, benzonitrile solvate","","- C172 H46 N2 P2 -","- C172 H46 N2 P2 -","- C172 H46 N2 P2 -","1","0.5","","Konarev, Dmitri V.; Khasanov, Salavat S.; Kuz`min, Alexey V.; Otsuka, Akihiro; Yamochi, Hideki; Saito, Gunzi; Lyubovskaya, Rimma N.","Effective magnetic coupling with strong spin frustration in (Ph3MeP+)(C60•) and reversible C60• dimerization in (Ph3MeP+)(C60•)C6H5CN . Effect of solvent on structure and properties","New J. Chem.","2016","","","","","10.1039/C5NJ02886H","","","0.71073","MoKα","","0.1885","0.0719","","","0.1194","0.1662","","","","","","0.976","","","","has coordinates,has disorder","174601","2020-10-21","18:00:00",""
"7055316","12.725","0.003","13.759","0.002","15.056","0.002","100.102","0.015","112.513","0.018","90.15","0.015","2390.3","0.8","250.1","0.2","250.1","0.2","","","","","","","","4","P -1","-P 1","2","","","","- C86 H23 N P -","- C86 H23 N P -","- C172 H46 N2 P2 -","2","1","","Konarev, Dmitri V.; Khasanov, Salavat S.; Kuz`min, Alexey V.; Otsuka, Akihiro; Yamochi, Hideki; Saito, Gunzi; Lyubovskaya, Rimma N.","Effective magnetic coupling with strong spin frustration in (Ph3MeP+)(C60•) and reversible C60• dimerization in (Ph3MeP+)(C60•)C6H5CN . Effect of solvent on structure and properties","New J. Chem.","2016","","","","","10.1039/C5NJ02886H","","","0.71073","MoKα","","0.2825","0.0801","","","0.1591","0.2423","","","","","","0.962","","","","has coordinates,has disorder","174601","2020-10-21","18:00:00",""
"7055317","29.4247","0.0016","5.29675","0.0003","7.49392","0.00045","90","","95.5986","0.0029","90","","1162.4","0.12","293","","293","","","","","","","","","5","C 1 2 1","C 2y","5","[Zn(Gly-L-Phe)2]","catena-(bis(glycyl-L-phenylalaninato))zinc(ii)","zinc(II) di(glycylphenylalaninate)","- C22 H26 N4 O6 Zn -","- C22 H26 N4 O6 Zn -","- C44 H52 N8 O12 Zn2 -","2","0.5","","Puškarić, Andreas; Halasz, Ivan; Gredičak, Matija; Palcic, Ana; Bronic, Josip","Synthesis and structure characterization of zinc and cadmium dipeptide coordination polymers","New J. Chem.","2016","","","","","10.1039/C5NJ03001C","powder diffraction","x-ray","1.5406","CuKα","","","","","","","","0.0303","","3.549","","","","","","","has coordinates","174602","2020-10-21","18:00:00",""
"7055318","30.4985","0.0018","5.34094","0.00039","7.63724","0.00045","90","","111.372","0.0027","90","","1158.49","0.13","293","","293","","","","","","","","","5","C 1 2 1","C 2y","5","[Cd(Gly-L-Phe)2]","catena-(bis(glycyl-L-phenylalaninato))cadmium(ii)","Cd(GlyPhe)2","- C22 H26 Cd N4 O6 -","- C22 H26 Cd N4 O6 -","- C44 H52 Cd2 N8 O12 -","2","0.5","","Puškarić, Andreas; Halasz, Ivan; Gredičak, Matija; Palcic, Ana; Bronic, Josip","Synthesis and structure characterization of zinc and cadmium dipeptide coordination polymers","New J. Chem.","2016","","","","","10.1039/C5NJ03001C","powder diffraction","x-ray","1.5406","CuKα","","0.0454","","","","","","","","4.561","","","","","","","has coordinates","174602","2020-10-21","18:00:00",""
"7055319","12.816","0.005","17.289","0.005","16.132","0.005","90","0.005","111.716","0.005","90","0.005","3320.8","1.9","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C48 H40 Cu2 Mo8 N16 O26 -","- C48 H40 Cu2 Mo8 N16 O26 -","- C96 H80 Cu4 Mo16 N32 O52 -","2","0.5","","Sun, Wenlong; Yu, Jia; Pang, Haijun; Ma, Huiyuan; Zhao, Chunyan","“Pinwheel” Subunit-Directed A Polyoxometalate-Based Hybrid Compound [Cu(bimb)2]2[β-Mo8O26] with Both Helixes and Chiral Layers","New J. Chem.","2016","","","","","10.1039/C5NJ03183D","","","0.71069","MoKα","","0.0473","0.0311","","","0.0805","0.0881","","","","","","1.023","","","","has coordinates","174603","2020-10-21","18:00:00",""
"7055320","18.927","0.006","6.364","0.002","7.38","0.003","90","","93.784","0.008","90","","887","0.5","125","","125","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","AmPhOxam","N-phenyloxamic acid Ammonium Salt","","- C8 H10 N2 O3 -","- C8 H10 N2 O3 -","- C32 H40 N8 O12 -","4","1","","Maiore, Laura; Aragoni, Maria Carla; Carcangiu, Gianfranco; Cocco, Ombretta; Isaia, Francesco; Lippolis, Vito; Meloni, Paola; Murru, Arianna; Slawin, Alexandra; Tuveri, Enrica; Woollins, J. D.; Arca, Massimiliano","Oxamate salts as novel agents for the restoration of marble and limestone substrates: case study of ammonium N-phenyloxamate","New J. Chem.","2016","","","","","10.1039/C5NJ02505B","","","1.54187","CuKα","","0.1578","0.1491","","","0.4027","0.4063","","","","","","1.26","","","","has coordinates","174604","2020-10-21","18:00:00",""
"7055321","18.1249","0.0007","12.1064","0.0005","17.7333","0.0007","90","","107.301","0.001","90","","3715.1","0.3","293","2","293.2","","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C56 H75 Co6 N5 Na2 O39 -","- C56 H75 Co6 N5 Na2 O39 -","- C112 H150 Co12 N10 Na4 O78 -","2","0.5","","Liu, Sui-Jun; Han, Song-De; Chang, Ze; Bu, Xian-He","Cluster- and chain-based magnetic MOFs derived from 3d metal ions and 1,3,5-benzenetricarboxylate","New J. Chem.","2016","40","3","2680","","10.1039/C5NJ02161H","","","0.71075","MoKα","","0.0902","0.074","","","0.1756","0.188","","","","","","1.073","","","","has coordinates,has disorder","181775","2020-10-21","18:00:00",""
"7055322","9.787","0.002","12.157","0.002","15.182","0.003","90","","90","","90","","1806.4","0.6","293","2","293","","","","","","","","","4","I m m 2","I 2 -2","44","","","","- C18 H12 Ni3 O16 -","- C18 H12 Ni3 O16 -","- C36 H24 Ni6 O32 -","2","0.25","","Liu, Sui-Jun; Han, Song-De; Chang, Ze; Bu, Xian-He","Cluster- and chain-based magnetic MOFs derived from 3d metal ions and 1,3,5-benzenetricarboxylate","New J. Chem.","2016","40","3","2680","","10.1039/C5NJ02161H","","","0.71073","MoKα","","0.034","0.0323","","","0.0762","0.0769","","","","","","1.118","","","","has coordinates","181775","2020-10-21","18:00:00",""
"7055323","12.692","0.003","14.424","0.003","21.492","0.004","90","","90","","90","","3934.5","1.4","293","2","293","","","","","","","","","4","P b c m","-P 2c 2b","57","","","","- C22 H12 Mn3 O16 -","- C22 H12 Mn3 O16 -","- C88 H48 Mn12 O64 -","4","0.5","","Liu, Sui-Jun; Han, Song-De; Chang, Ze; Bu, Xian-He","Cluster- and chain-based magnetic MOFs derived from 3d metal ions and 1,3,5-benzenetricarboxylate","New J. Chem.","2016","40","3","2680","","10.1039/C5NJ02161H","","","0.71073","MoKα","","0.1111","0.0852","","","0.173","0.1845","","","","","","1.151","","","","has coordinates,has disorder","181775","2020-10-21","18:00:00",""
"7055324","12.2394","0.0007","18.8894","0.0011","13.5842","0.0008","90","","92.6687","0.0018","90","","3137.2","0.3","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","2,7-Bis(4-methoxycarbonylphenyl)-9,9-diphenyl-9,10-dihydroacridine)","","- C41 H31 N O4 -","- C41 H31 N O4 -","- C164 H124 N4 O16 -","4","1","","Suzuki, Ryota; Tada, Reiki; Hosoda, Takumi; Miura, Youhei; Yoshioka, Naoki","Synthesis of ester-substituted dihydroacridine derivatives and their spectroscopic properties","New J. Chem.","2016","","","","","10.1039/C5NJ02839F","","","0.71073","MoKα","","0.0829","0.0458","","","0.135","0.1714","","","","","","1.035","","","","has coordinates","174672","2020-10-21","18:00:00",""
"7055325","35.973","0.009","9.0438","0.0019","21.966","0.006","90","","99.707","0.008","90","","7044","3","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2,8-Bis(4-methoxycarbonylphenyl)-10,10-diphenyl-5,10-dihydrophenazasiline","","- C42 H34 N2 O4 Si -","- C42 H34 N2 O4 Si -","- C336 H272 N16 O32 Si8 -","8","2","","Suzuki, Ryota; Tada, Reiki; Hosoda, Takumi; Miura, Youhei; Yoshioka, Naoki","Synthesis of ester-substituted dihydroacridine derivatives and their spectroscopic properties","New J. Chem.","2016","","","","","10.1039/C5NJ02839F","","","0.71073","MoKα","","0.2164","0.0745","","","0.1541","0.2138","","","","","","0.955","","","","has coordinates","174672","2020-10-21","18:00:00",""
"7055326","21.655","0.005","12.281","0.003","16.381","0.007","90","","120.371","0.006","90","","3759","2","223","2","223","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C42 H113 Dy N24 O52 -","- C42 H50 Dy N24 O26 -","- C84 H100 Dy2 N48 O52 -","2","0.25","","Zhu, Qian-Jiang; Zhao, Wen-Xuan; Wang, Chuan-Zeng; Zhang, Ying; Zhang, Yun-Qian; Xue, Sai-Feng; Tao, Zhu; Clegg, Jack Kay; Lindoy, Lenard F.; Wei, Gang","Adducts of Aqua Complexes of Ln3+ with hexanohydroxyhexanomethylcucurbit[6]uril: Potential Application in the Isolation of Heavy Lanthanides","New J. Chem.","2016","","","","","10.1039/C5NJ00964B","","","0.71073","MoKα","","0.0929","0.0905","","","0.2459","0.2489","","","","","","1.068","","","","has coordinates","174673","2020-10-21","18:00:00",""
"7055327","21.6886","0.0018","12.2264","0.001","16.42","0.002","90","","119.896","0.002","90","","3774.7","0.6","223","2","223","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C42 H111 Er N24 O51 -","- C42 H47 Er N24 O26 -","- C84 H94 Er2 N48 O52 -","2","0.25","","Zhu, Qian-Jiang; Zhao, Wen-Xuan; Wang, Chuan-Zeng; Zhang, Ying; Zhang, Yun-Qian; Xue, Sai-Feng; Tao, Zhu; Clegg, Jack Kay; Lindoy, Lenard F.; Wei, Gang","Adducts of Aqua Complexes of Ln3+ with hexanohydroxyhexanomethylcucurbit[6]uril: Potential Application in the Isolation of Heavy Lanthanides","New J. Chem.","2016","","","","","10.1039/C5NJ00964B","","","0.71073","MoKα","","0.0733","0.0689","","","0.1809","0.1848","","","","","","1.159","","","","has coordinates","174673","2020-10-21","18:00:00",""
"7055328","21.792","0.003","12.2562","0.0015","16.386","0.002","90","","120.021","0.004","90","","3789.3","0.9","223","2","223","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C42 H111 Ho N24 O51 -","- C42 H48 Ho N24 O26 -","- C84 H96 Ho2 N48 O52 -","2","0.25","","Zhu, Qian-Jiang; Zhao, Wen-Xuan; Wang, Chuan-Zeng; Zhang, Ying; Zhang, Yun-Qian; Xue, Sai-Feng; Tao, Zhu; Clegg, Jack Kay; Lindoy, Lenard F.; Wei, Gang","Adducts of Aqua Complexes of Ln3+ with hexanohydroxyhexanomethylcucurbit[6]uril: Potential Application in the Isolation of Heavy Lanthanides","New J. Chem.","2016","","","","","10.1039/C5NJ00964B","","","0.71073","MoKα","","0.0769","0.0578","","","0.1346","0.1429","","","","","","1.009","","","","has coordinates","174673","2020-10-21","18:00:00",""
"7055329","21.7182","0.0017","12.1691","0.0009","16.4253","0.0012","90","","120.018","0.002","90","","3758.8","0.5","223","2","223","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C42 H107 Lu N24 O49 -","- C42 H50 Lu N24 O25 -","- C84 H100 Lu2 N48 O50 -","2","0.25","","Zhu, Qian-Jiang; Zhao, Wen-Xuan; Wang, Chuan-Zeng; Zhang, Ying; Zhang, Yun-Qian; Xue, Sai-Feng; Tao, Zhu; Clegg, Jack Kay; Lindoy, Lenard F.; Wei, Gang","Adducts of Aqua Complexes of Ln3+ with hexanohydroxyhexanomethylcucurbit[6]uril: Potential Application in the Isolation of Heavy Lanthanides","New J. Chem.","2016","","","","","10.1039/C5NJ00964B","","","0.71073","MoKα","","0.0517","0.0493","","","0.1364","0.1399","","","","","","1.058","","","","has coordinates","174673","2020-10-21","18:00:00",""
"7055330","21.629","0.002","12.2839","0.0012","16.3898","0.0017","90","","119.976","0.003","90","","3772.1","0.7","223","2","223","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C42 H115 N24 O53 Tb -","- C42 H48 N24 O26 Tb -","- C84 H96 N48 O52 Tb2 -","2","0.25","","Zhu, Qian-Jiang; Zhao, Wen-Xuan; Wang, Chuan-Zeng; Zhang, Ying; Zhang, Yun-Qian; Xue, Sai-Feng; Tao, Zhu; Clegg, Jack Kay; Lindoy, Lenard F.; Wei, Gang","Adducts of Aqua Complexes of Ln3+ with hexanohydroxyhexanomethylcucurbit[6]uril: Potential Application in the Isolation of Heavy Lanthanides","New J. Chem.","2016","","","","","10.1039/C5NJ00964B","","","0.71073","MoKα","","0.0915","0.0848","","","0.2266","0.2366","","","","","","1.107","","","","has coordinates","174673","2020-10-21","18:00:00",""
"7055331","21.734","0.002","12.211","0.0012","16.448","0.003","90","","119.884","0.003","90","","3784.8","0.9","223","2","223","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C42 H118 N24 O53 Tm -","- C42 H52 N24 O26 Tm -","- C84 H104 N48 O52 Tm2 -","2","0.25","","Zhu, Qian-Jiang; Zhao, Wen-Xuan; Wang, Chuan-Zeng; Zhang, Ying; Zhang, Yun-Qian; Xue, Sai-Feng; Tao, Zhu; Clegg, Jack Kay; Lindoy, Lenard F.; Wei, Gang","Adducts of Aqua Complexes of Ln3+ with hexanohydroxyhexanomethylcucurbit[6]uril: Potential Application in the Isolation of Heavy Lanthanides","New J. Chem.","2016","","","","","10.1039/C5NJ00964B","","","0.71073","MoKα","","0.0982","0.0935","","","0.2492","0.2556","","","","","","1.214","","","","has coordinates","174673","2020-10-21","18:00:00",""
"7055332","21.793","0.0013","12.1907","0.0007","16.4222","0.0009","90","","120.043","0.002","90","","3776.8","0.4","223","2","223","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C42 H111 N24 O51 Yb -","- C42 H50 N24 O26 Yb -","- C84 H100 N48 O52 Yb2 -","2","0.25","","Zhu, Qian-Jiang; Zhao, Wen-Xuan; Wang, Chuan-Zeng; Zhang, Ying; Zhang, Yun-Qian; Xue, Sai-Feng; Tao, Zhu; Clegg, Jack Kay; Lindoy, Lenard F.; Wei, Gang","Adducts of Aqua Complexes of Ln3+ with hexanohydroxyhexanomethylcucurbit[6]uril: Potential Application in the Isolation of Heavy Lanthanides","New J. Chem.","2016","","","","","10.1039/C5NJ00964B","","","0.71073","MoKα","","0.0538","0.0488","","","0.1301","0.1341","","","","","","1.1","","","","has coordinates","174673","2020-10-21","18:00:00",""
"7055333","15.3861","0.0012","7.2041","0.0007","15.4751","0.0012","90","","117.318","0.004","90","","1524","0.2","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H10 F N7 O -","- C15 H10 F N7 O -","- C60 H40 F4 N28 O4 -","4","1","","Nandeesh, K. N.; Ashok, Hassasn Swarup; Sandhya, Nagarakere C.; Mohan, Chakrabhavi Dhananjaya; Pavankumar, C. S.; Kempegowda, Mantelingu; Kumara, M. N.; Ananda, S.; Rangappa, Kanchugarakoppal S.","Synthesis and Antiproliferative efficiency of novel bis(imidazol-1-yl)vinyl-1,2,4-oxadiazoles","New J. Chem.","2016","","","","","10.1039/C5NJ02925B","","","1.54178","CuKα","","0.067","0.0473","","","0.113","0.1219","","","","","","0.943","","","","has coordinates","175058","2020-10-21","18:00:00",""
"7055334","10.1629","0.0003","10.3262","0.0003","10.3488","0.0003","109.48","0.0008","116.368","0.0008","102.253","0.0009","829.7","0.04","200","2","200","2","","","","","","","","6","P -1","-P 1","2","","","","- C14 H13 I N5 Na S -","- C14 H13 I N5 Na S -","- C28 H26 I2 N10 Na2 S2 -","2","1","","Kleisath, Elizabeth; Yutronkie, Nathan J.; Korobkov, Ilia; Gabidullin, Bulat M.; Brusso, Jaclyn L.","Alkyl-functionalization of 3,5-bis(2-pyridyl)-1,2,4,6-thiatriazine","New J. Chem.","2016","40","5","4472","","10.1039/C5NJ02611C","","","0.71073","MoKα","","0.0176","0.0167","","","0.0434","0.0439","","","","","","1.035","","","","has coordinates","183742","2020-10-21","18:00:00",""
"7055335","9.9995","0.0002","10.0313","0.0002","16.1233","0.0004","90","","90","","90","","1617.3","0.06","200","2","200","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C14 H14 B F4 N5 S -","- C14 H14 B F4 N5 S -","- C56 H56 B4 F16 N20 S4 -","4","1","","Kleisath, Elizabeth; Yutronkie, Nathan J.; Korobkov, Ilia; Gabidullin, Bulat M.; Brusso, Jaclyn L.","Alkyl-functionalization of 3,5-bis(2-pyridyl)-1,2,4,6-thiatriazine","New J. Chem.","2016","40","5","4472","","10.1039/C5NJ02611C","","","0.71073","MoKα","","0.0445","0.0424","","","0.1191","0.1211","","","","","","1.046","","","","has coordinates","183742","2020-10-21","18:00:00",""
"7055336","8.938","0.004","11.927","0.005","12.9","0.005","96.902","0.019","108.004","0.018","107.987","0.017","1208.1","0.9","200","2","200","2","","","","","","","","6","P -1","-P 1","2","","","","- C17 H17 F6 N5 O6 S3 -","- C17.0002 H17 F6.0006 N5 O6.0006 S3.0002 -","- C34.0004 H34 F12.0012 N10 O12.0012 S6.0004 -","2","1","","Kleisath, Elizabeth; Yutronkie, Nathan J.; Korobkov, Ilia; Gabidullin, Bulat M.; Brusso, Jaclyn L.","Alkyl-functionalization of 3,5-bis(2-pyridyl)-1,2,4,6-thiatriazine","New J. Chem.","2016","40","5","4472","","10.1039/C5NJ02611C","","","0.71073","MoKα","","0.0685","0.0485","","","0.1266","0.1422","","","","","","1.026","","","","has coordinates,has disorder","183742","2020-10-21","18:00:00",""
"7055337","5.799","0.003","14.641","0.009","16.056","0.01","90","","90","","90","","1363.2","1.4","258","2","258","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C14 H13 N5 S -","- C14 H13 N5 S -","- C56 H52 N20 S4 -","4","1","","Kleisath, Elizabeth; Yutronkie, Nathan J.; Korobkov, Ilia; Gabidullin, Bulat M.; Brusso, Jaclyn L.","Alkyl-functionalization of 3,5-bis(2-pyridyl)-1,2,4,6-thiatriazine","New J. Chem.","2016","40","5","4472","","10.1039/C5NJ02611C","","","0.71073","MoKα","","0.0608","0.0419","","","0.0933","0.0997","","","","","","1.066","","","","has coordinates","183742","2020-10-21","18:00:00",""
"7055338","27.2998","0.0016","10.028","0.0006","20.6463","0.0011","90","","111.911","0.004","90","","5243.9","0.5","180","2","180","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C52 H80 N6 S2 -","- C52 H80 N6 S2 -","- C208 H320 N24 S8 -","4","0.5","","Gressenbuch, Mathias; Lehmann, Ulrike; Kersting, Berthold","Synthesis and structural chemistry of bicyclic hexaaza-dithia macrocycles containing pendant donor groups","New J. Chem.","2016","40","7","5731","","10.1039/C5NJ03197D","","","0.71073","MoKα","","0.0716","0.0513","","","0.1393","0.1489","","","","","","1.085","","","","has coordinates,has disorder","185600","2020-10-21","18:00:00",""
"7055339","19.481","0.004","9.905","0.002","26.74","0.005","90","","99.08","0.03","90","","5095.1","1.8","213","2","213","2","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","","","- C52 H74 N12 S2 -","- C52 H74 N12 S2 -","- C208 H296 N48 S8 -","4","0.5","","Gressenbuch, Mathias; Lehmann, Ulrike; Kersting, Berthold","Synthesis and structural chemistry of bicyclic hexaaza-dithia macrocycles containing pendant donor groups","New J. Chem.","2016","40","7","5731","","10.1039/C5NJ03197D","","","0.71073","MoKα","","0.0618","0.0427","","","0.1029","0.1078","","","","","","0.889","","","","has coordinates","185600","2020-10-21","18:00:00",""
"7055340","12.894","0.002","13.432","0.002","20.463","0.003","91.86","0.02","100.24","0.02","106.8","0.02","3325.5","1","180","2","180","2","","","","","","","","5","P -1","-P 1","2","","","","- C56 H92 N6 O14 S4 -","- C56 H92 N6 O14 S4 -","- C112 H184 N12 O28 S8 -","2","1","","Gressenbuch, Mathias; Lehmann, Ulrike; Kersting, Berthold","Synthesis and structural chemistry of bicyclic hexaaza-dithia macrocycles containing pendant donor groups","New J. Chem.","2016","40","7","5731","","10.1039/C5NJ03197D","","","0.71073","MoKα","","0.0951","0.0506","","","0.1019","0.1127","","","","","","0.865","","","","has coordinates","185600","2020-10-21","18:00:00",""
"7055341","18.934","0.003","10.294","0.003","31.857","0.005","90","","105.36","0.02","90","","5987","2","180","2","180","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C48 H76 N6 O8 S2 -","- C48 H76 N6 O8 S2 -","- C192 H304 N24 O32 S8 -","4","0.5","","Gressenbuch, Mathias; Lehmann, Ulrike; Kersting, Berthold","Synthesis and structural chemistry of bicyclic hexaaza-dithia macrocycles containing pendant donor groups","New J. Chem.","2016","40","7","5731","","10.1039/C5NJ03197D","","","0.71073","MoKα","","0.0566","0.0458","","","0.1321","0.1387","","","","","","0.792","","","","has coordinates","185600","2020-10-21","18:00:00",""
"7055342","27.58","0.004","9.948","0.002","19.845","0.003","90","","109.5","0.02","90","","5132.5","1.6","180","2","180","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C48 H84 N6 O4 S2 -","- C48.01 H84 N6 O4 S2 -","- C192.04 H336 N24 O16 S8 -","4","0.5","","Gressenbuch, Mathias; Lehmann, Ulrike; Kersting, Berthold","Synthesis and structural chemistry of bicyclic hexaaza-dithia macrocycles containing pendant donor groups","New J. Chem.","2016","40","7","5731","","10.1039/C5NJ03197D","","","0.71073","MoKα","","0.0875","0.0677","","","0.2012","0.2136","","","","","","0.987","","","","has coordinates,has disorder","185600","2020-10-21","18:00:00",""
"7055343","13.007","0.003","10.269","0.002","19.285","0.004","90","","97.5","0.03","90","","2553.8","1","213","2","213","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C48 H80 N6 O4 S2 -","- C48 H80 N6 O4 S2 -","- C96 H160 N12 O8 S4 -","2","0.5","","Gressenbuch, Mathias; Lehmann, Ulrike; Kersting, Berthold","Synthesis and structural chemistry of bicyclic hexaaza-dithia macrocycles containing pendant donor groups","New J. Chem.","2016","40","7","5731","","10.1039/C5NJ03197D","","","0.71073","MoKα","","0.1038","0.036","","","0.0446","0.0519","","","","","","0.554","","","","has coordinates","185600","2020-10-21","18:00:00",""
"7055344","30.1303","0.0007","9.2069","0.0002","14.6698","0.0002","90","","90","","90","","4069.5","0.14","173","2","173","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C17 H17 I2 N3 O Pt -","- C17 H17 I2 N3 O Pt -","- C136 H136 I16 N24 O8 Pt8 -","8","1","","Borré, Etienne; Dahm, Georges; Guichard, Gilles; Bellemin-Laponnaz, Stéphane","Post-functionalization of platinum‒NHC complexes by oxime ligation for ligand targeted therapy","New J. Chem.","2016","40","4","3164","","10.1039/C5NJ03104D","","","0.71073","MoKα","","0.0463","0.0316","","","0.076","0.0899","","","","","","1.134","","","","has coordinates","182771","2020-10-21","18:00:00",""
"7055345","8.788","0.0004","13.2107","0.0005","15.6462","0.0006","112.549","0.002","91.335","0.002","104.644","0.002","1608.33","0.12","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C33 H36 I2 N4 O Pt -","- C33 H36 I2 N4 O Pt -","- C66 H72 I4 N8 O2 Pt2 -","2","1","","Borré, Etienne; Dahm, Georges; Guichard, Gilles; Bellemin-Laponnaz, Stéphane","Post-functionalization of platinum‒NHC complexes by oxime ligation for ligand targeted therapy","New J. Chem.","2016","40","4","3164","","10.1039/C5NJ03104D","","","0.71073","MoKα","","0.054","0.039","","","0.1005","0.1173","","","","","","1.084","","","","has coordinates","182771","2020-10-21","18:00:00",""
"7055346","13.1253","0.0014","30.475","0.003","11.2124","0.0014","90","","107.676","0.007","90","","4273.2","0.8","90","0.5","90","0.5","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C50 H34 Cl3 N9 O Zn -","- C50 H34 Cl3 N9 O Zn -","- C200 H136 Cl12 N36 O4 Zn4 -","4","1","","Mandoj, Federica; D'Urso, Alessandro; Nardis, Sara; Monti, Donato; Stefanelli, Manuela; Gangemi, Chiara M. A.; Randazzo, Rosalba; Fronczek, Frank R.; Smith, Kevin M.; Paolesse, Roberto","The interaction of a β-fused isoindoline‒porphyrin conjugate with nucleic acids","New J. Chem.","2016","40","7","5662","","10.1039/C5NJ03201F","","","1.54184","CuKα","","0.0434","0.0398","","","0.1071","0.11","","","","","","1.028","","","","has coordinates","185596","2020-10-21","18:00:00",""
"7055347","21.798","0.003","9.7924","0.0009","17.18","0.003","90","","111.803","0.018","90","","3404.8","0.9","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C38 H28 Cl2 Cu2 N6 O2 -","- C38 H28 Cl2 Cu2 N6 O2 -","- C152 H112 Cl8 Cu8 N24 O8 -","4","0.5","","Patra, Shanti G.; Shee, Nirmal K.; Drew, Michael G. B.; Datta, Dipankar","Angle isomerism, as exemplified in a five-coordinate, dimeric copper(ii) Schiff base complex. Observation of Ostwald ripening","New J. Chem.","2016","40","4","3238","","10.1039/C5NJ02765A","","","0.71073","MoKα","","0.0788","0.0619","","","0.1515","0.1635","","","","","","1.041","","","","has coordinates","182773","2020-10-21","18:00:00",""
"7055348","7.1801","0.0006","10.2796","0.0007","12.3788","0.0008","99.208","0.006","95.428","0.006","108.174","0.007","846.66","0.12","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C38 H28 Cl2 Cu2 N6 O2 -","- C38 H28 Cl2 Cu2 N6 O2 -","- C38 H28 Cl2 Cu2 N6 O2 -","1","0.5","","Patra, Shanti G.; Shee, Nirmal K.; Drew, Michael G. B.; Datta, Dipankar","Angle isomerism, as exemplified in a five-coordinate, dimeric copper(ii) Schiff base complex. Observation of Ostwald ripening","New J. Chem.","2016","40","4","3238","","10.1039/C5NJ02765A","","","0.71073","MoKα","","0.0432","0.0356","","","0.0858","0.0899","","","","","","1.038","","","","has coordinates","182773","2020-10-21","18:00:00",""
"7055349","11.8773","0.0007","11.8773","0.0007","44.58","0.003","90","","90","","90","","6288.9","0.7","173","2","173","2","","","","","","","","4","P 43 21 2","P 4nw 2abw","96","","","","- C66 H104 N6 O7 -","- C66 H104 N6 O7 -","- C264 H416 N24 O28 -","4","0.5","","Yuan, Minghui; Tanabe, Iori; Bernard-Schaaf, Jean-Marie; Shi, Qin-Yin; Schlegel, Vicki; Schurhammer, Rachel; Dowben, Peter A.; Doudin, Bernard; Routaboul, Lucie; Braunstein, Pierre","Influence of steric hindrance on the molecular packing and the anchoring of quinonoid zwitterions on gold surfaces","New J. Chem.","2016","40","7","5782","","10.1039/C5NJ03251B","","","0.71073","MoKα","","0.0685","0.0527","","","0.1145","0.1228","","","","","","1.074","","","","has coordinates,has disorder","185583","2020-10-21","18:00:00",""
"7055350","11.7927","0.0002","11.7927","0.0002","25.0037","0.0005","90","","90","","90","","3477.21","0.11","193","2","193","2","","","","","","","","4","P 41 21 2","P 4abw 2nw","92","","","","- C18 H26 N2 O2 -","- C18 H26 N2 O2 -","- C144 H208 N16 O16 -","8","1","","Yuan, Minghui; Tanabe, Iori; Bernard-Schaaf, Jean-Marie; Shi, Qin-Yin; Schlegel, Vicki; Schurhammer, Rachel; Dowben, Peter A.; Doudin, Bernard; Routaboul, Lucie; Braunstein, Pierre","Influence of steric hindrance on the molecular packing and the anchoring of quinonoid zwitterions on gold surfaces","New J. Chem.","2016","40","7","5782","","10.1039/C5NJ03251B","","","0.71073","MoKα","","0.0829","0.0571","","","0.1511","0.1635","","","","","","1.12","","","","has coordinates","185583","2020-10-21","18:00:00",""
"7055351","8.318","0.0003","14.3938","0.0005","18.1616","0.0006","90","","90","","90","","2174.45","0.13","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C26 H26 N2 O2 -","- C26 H26 N2 O2 -","- C104 H104 N8 O8 -","4","1","","Yuan, Minghui; Tanabe, Iori; Bernard-Schaaf, Jean-Marie; Shi, Qin-Yin; Schlegel, Vicki; Schurhammer, Rachel; Dowben, Peter A.; Doudin, Bernard; Routaboul, Lucie; Braunstein, Pierre","Influence of steric hindrance on the molecular packing and the anchoring of quinonoid zwitterions on gold surfaces","New J. Chem.","2016","40","7","5782","","10.1039/C5NJ03251B","","","1.54178","CuKα","","0.0923","0.0899","","","0.2579","0.2608","","","","","","1.072","","","","has coordinates,has disorder","185583","2020-10-21","18:00:00",""
"7055352","11.4153","0.0008","6.849","0.0007","12.4992","0.0012","90","","110.314","0.006","90","","916.45","0.15","173","2","173","2","","","","","","","","3","C 1 2 1","C 2y","5","","","","- C20 H30 Se -","- C20 H30 Se -","- C40 H60 Se2 -","2","0.5","","Boualy, Brahim; El Houssame, Soufiane; Sancineto, Luca; Santi, Claudio; Ait Ali, Mustapha; Stoeckli-Evans, Helen; El Firdoussi, Larbi","A mild and efficient method for the synthesis of a new optically active diallyl selenide and its catalytic activity in the allylic chlorination of natural terpenes","New J. Chem.","2016","40","4","3395","","10.1039/C5NJ02797G","","","0.71073","MoKα","","0.02","0.0195","","","0.0457","0.0458","","","","","","1.003","","","","has coordinates","182772","2020-10-21","18:00:00",""
"7055353","7.245","0.005","32.443","0.005","11.885","0.005","90","0.005","94.522","0.005","90","0.005","2785","2","120","2","120","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C42 H26 Fe O4 -","- C42 H26 Fe O4 -","- C168 H104 Fe4 O16 -","4","1","","Singh, Thokchom Prasanta; Shunmugam, Raja","PCl3-mediated synthesis of green/cyan fluorescent protein chromophores using amino acids","New J. Chem.","2016","40","4","3024","","10.1039/C5NJ03144C","","","0.71069","MoKα","","0.3751","0.1386","","","0.2555","0.3588","","","","","","0.97","","","","has coordinates","182775","2020-10-21","18:00:00",""
"7055354","8.2966","0.0004","23.4782","0.0012","25.175","0.0011","90","","90","","90","","4903.8","0.4","100","0.5","100","0.5","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C24 H23 B Cl2 F2 I2 N2 -","- C24 H23 B Cl2 F2 I2 N2 -","- C192 H184 B8 Cl16 F16 I16 N16 -","8","2","","Meng, Qianli; Fronczek, Frank R.; Vicente, M Graça H","Synthesis and spectroscopic properties of β,β'-dibenzo-3,5,8-triaryl-BODIPYs.","New journal of chemistry = Nouveau journal de chimie","2016","40","7","5740","5751","10.1039/C5NJ03324A","","","0.71073","MoKα","","0.0548","0.0527","","","0.1231","0.124","","","","","","1.221","","","","has coordinates","187158","2020-10-21","18:00:00",""
"7055355","11.0477","0.0015","14.069","0.002","17.029","0.003","90","","90","","90","","2646.8","0.7","100","0.5","100","0.5","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C35 H31 B F2 N2 -","- C35 H31 B F2 N2 -","- C140 H124 B4 F8 N8 -","4","1","","Meng, Qianli; Fronczek, Frank R.; Vicente, M Graça H","Synthesis and spectroscopic properties of β,β'-dibenzo-3,5,8-triaryl-BODIPYs.","New journal of chemistry = Nouveau journal de chimie","2016","40","7","5740","5751","10.1039/C5NJ03324A","","","0.71073","MoKα","","0.04","0.0327","","","0.0738","0.0771","","","","","","1.029","","","","has coordinates","187158","2020-10-21","18:00:00",""
"7055356","15.788","0.0006","12.5007","0.0006","15.9397","0.0007","90","","116.931","0.004","90","","2804.7","0.2","90","0.5","90","0.5","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C35 H29 B F2 N4 O4 -","- C35 H29 B F2 N4 O4 -","- C140 H116 B4 F8 N16 O16 -","4","0.5","","Meng, Qianli; Fronczek, Frank R.; Vicente, M Graça H","Synthesis and spectroscopic properties of β,β'-dibenzo-3,5,8-triaryl-BODIPYs.","New journal of chemistry = Nouveau journal de chimie","2016","40","7","5740","5751","10.1039/C5NJ03324A","","","0.71073","MoKα","","0.0675","0.0468","","","0.1155","0.1278","","","","","","1.01","","","","has coordinates","187158","2020-10-21","18:00:00",""
"7055357","9.7694","0.0008","13.1321","0.001","13.2027","0.0008","93.757","0.005","104.793","0.004","102.323","0.004","1587","0.2","90","0.5","90","0.5","","","","","","","","6","P -1","-P 1","2","","","","- C38 H31 B Cl2 F2 N4 -","- C38 H31 B Cl2 F2 N4 -","- C76 H62 B2 Cl4 F4 N8 -","2","1","","Meng, Qianli; Fronczek, Frank R.; Vicente, M Graça H","Synthesis and spectroscopic properties of β,β'-dibenzo-3,5,8-triaryl-BODIPYs.","New journal of chemistry = Nouveau journal de chimie","2016","40","7","5740","5751","10.1039/C5NJ03324A","","","0.71073","MoKα","","0.1145","0.0576","","","0.1243","0.1484","","","","","","1.022","","","","has coordinates","187158","2020-10-21","18:00:00",""
"7055358","8.1559","0.0009","13.0389","0.0014","15.7981","0.0018","114.011","0.004","91.649","0.005","102.179","0.005","1487.7","0.3","90","0.5","90","0.5","","","","","","","","5","P -1","-P 1","2","","","","- C37 H29 B F8 N2 -","- C37 H29 B F8 N2 -","- C74 H58 B2 F16 N4 -","2","1","","Meng, Qianli; Fronczek, Frank R.; Vicente, M Graça H","Synthesis and spectroscopic properties of β,β'-dibenzo-3,5,8-triaryl-BODIPYs.","New journal of chemistry = Nouveau journal de chimie","2016","40","7","5740","5751","10.1039/C5NJ03324A","","","0.71073","MoKα","","0.0503","0.0411","","","0.1117","0.1187","","","","","","1.033","","","","has coordinates,has disorder","187158","2020-10-21","18:00:00",""
"7055359","9.5919","0.0002","34.432","0.0006","13.4607","0.0002","90","","107.899","0.001","90","","4230.47","0.13","90","0.5","90","0.5","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C52 H45 B Cl2 F2 N2 O4 -","- C52 H45 B Cl2 F2 N2 O4 -","- C208 H180 B4 Cl8 F8 N8 O16 -","4","1","","Meng, Qianli; Fronczek, Frank R.; Vicente, M Graça H","Synthesis and spectroscopic properties of β,β'-dibenzo-3,5,8-triaryl-BODIPYs.","New journal of chemistry = Nouveau journal de chimie","2016","40","7","5740","5751","10.1039/C5NJ03324A","","","0.71073","MoKα","","0.0823","0.0544","","","0.1318","0.1468","","","","","","1.039","","","","has coordinates","187158","2020-10-21","18:00:00",""
"7055360","8.9607","0.0014","10.4013","0.0015","14.964","0.003","98.262","0.009","106.17","0.006","107.413","0.009","1238.3","0.4","90","0.5","90","0.5","","","","","","","","5","P -1","-P 1","2","","","","- C35 H23 B F2 N2 -","- C35 H23 B F2 N2 -","- C70 H46 B2 F4 N4 -","2","1","","Meng, Qianli; Fronczek, Frank R.; Vicente, M Graça H","Synthesis and spectroscopic properties of β,β'-dibenzo-3,5,8-triaryl-BODIPYs.","New journal of chemistry = Nouveau journal de chimie","2016","40","7","5740","5751","10.1039/C5NJ03324A","","","0.71073","MoKα","","0.0686","0.0444","","","0.1017","0.1139","","","","","","1.029","","","","has coordinates","187158","2020-10-21","18:00:00",""
"7055361","12.2985","0.0006","12.9578","0.0006","18.4622","0.0009","90","","108.407","0.002","90","","2791.6","0.2","90","0.5","90","0.5","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C35 H21 B F2 N4 O4 -","- C35 H21 B F2 N4 O4 -","- C140 H84 B4 F8 N16 O16 -","4","1","","Meng, Qianli; Fronczek, Frank R.; Vicente, M Graça H","Synthesis and spectroscopic properties of β,β'-dibenzo-3,5,8-triaryl-BODIPYs.","New journal of chemistry = Nouveau journal de chimie","2016","40","7","5740","5751","10.1039/C5NJ03324A","","","0.71073","MoKα","","0.0748","0.0532","","","0.1246","0.136","","","","","","1.011","","","","has coordinates","187158","2020-10-21","18:00:00",""
"7055362","13.2913","0.0016","16.431","0.002","13.4762","0.0016","90","","107.238","0.002","90","","2810.9","0.6","90","0.5","90","0.5","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C37 H20.95 B Cl0.05 F2 N4 -","- C37 H20.952 B Cl0.048 F2 N4 -","- C148 H83.808 B4 Cl0.192 F8 N16 -","4","2","","Meng, Qianli; Fronczek, Frank R.; Vicente, M Graça H","Synthesis and spectroscopic properties of β,β'-dibenzo-3,5,8-triaryl-BODIPYs.","New journal of chemistry = Nouveau journal de chimie","2016","40","7","5740","5751","10.1039/C5NJ03324A","","","0.71073","MoKα","","0.0489","0.0401","","","0.095","0.0999","","","","","","1.035","","","","has coordinates,has disorder","187158","2020-10-21","18:00:00",""
"7055363","27.194","0.004","10.9496","0.0013","19.143","0.002","90","","100.772","0.004","90","","5599.6","1.2","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C34 H28 B2 N4 -","- C34 H28 B2 N4 -","- C272 H224 B16 N32 -","8","1","","Gai, Lizhi; Xu, Jialiang; Wu, Yanping; Lu, Hua; Shen, Zhen","Synthesis and spectroscopic properties of novel N‒N linked bis-(diphenylboron) complexes","New J. Chem.","2016","40","7","5752","","10.1039/C5NJ03217B","","","0.71073","MoKα","","0.1262","0.061","","","0.1537","0.2144","","","","","","0.982","","","","has coordinates","185598","2020-10-21","18:00:00",""
"7055364","11.471","0.003","22.263","0.005","12.589","0.003","90","","94.037","0.004","90","","3207","1.3","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C38 H36 B2 N4 -","- C38 H36 B2 N4 -","- C152 H144 B8 N16 -","4","1","","Gai, Lizhi; Xu, Jialiang; Wu, Yanping; Lu, Hua; Shen, Zhen","Synthesis and spectroscopic properties of novel N‒N linked bis-(diphenylboron) complexes","New J. Chem.","2016","40","7","5752","","10.1039/C5NJ03217B","","","0.71073","MoKα","","0.1145","0.0571","","","0.1399","0.1687","","","","","","1.006","","","","has coordinates","185598","2020-10-21","18:00:00",""
"7055365","20.3791","0.0003","10.08862","0.00014","15.5172","0.0002","90","","110.049","0.0017","90","","2996.97","0.08","100.01","0.1","100.01","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H16 Br P -","- C17 H16 Br P -","- C136 H128 Br8 P8 -","8","2","","Klingenberg, Margarita A.; Bogachenkov, Alexander S.; Kinzhalov, Mikhail A.; Vasilyev, Aleksander V.; Boyarskiy, Vadim P.","1,4-Dihydrophosphinolines and their complexes with group 10 metals","New J. Chem.","2016","40","4","3336","","10.1039/C5NJ03038B","","","1.5418","CuKα","","0.0305","0.0275","","","0.0735","0.0765","","","","","","1.016","","","","has coordinates","193656","2020-10-21","18:00:00",""
"7055366","8.7824","0.0004","11.1066","0.0006","11.4473","0.0006","103.246","0.005","106.855","0.005","107.784","0.005","953.73","0.11","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C36 H36 Br2 Cl6 P2 Pd -","- C36 H36 Br2 Cl6 P2 Pd -","- C36 H36 Br2 Cl6 P2 Pd -","1","0.5","","Klingenberg, Margarita A.; Bogachenkov, Alexander S.; Kinzhalov, Mikhail A.; Vasilyev, Aleksander V.; Boyarskiy, Vadim P.","1,4-Dihydrophosphinolines and their complexes with group 10 metals","New J. Chem.","2016","40","4","3336","","10.1039/C5NJ03038B","","","0.7107","MoKα","","0.0631","0.0511","","","0.1245","0.1339","","","","","","1.045","","","","has coordinates","182768","2020-10-21","18:00:00",""
"7055367","11.3816","0.0003","18.927","0.0004","16.0478","0.0004","90","","109.582","0.003","90","","3257.07","0.15","100","0.1","100","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C34 H32 Br2 Cl2 P2 Pt -","- C34 H32 Br2 Cl2 P2 Pt -","- C136 H128 Br8 Cl8 P8 Pt4 -","4","1","","Klingenberg, Margarita A.; Bogachenkov, Alexander S.; Kinzhalov, Mikhail A.; Vasilyev, Aleksander V.; Boyarskiy, Vadim P.","1,4-Dihydrophosphinolines and their complexes with group 10 metals","New J. Chem.","2016","40","4","3336","","10.1039/C5NJ03038B","","","0.71073","MoKα","","0.0282","0.0238","","","0.0534","0.0552","","","","","","1.103","","","","has coordinates","182768","2020-10-21","18:00:00",""
"7055368","8.7628","0.0003","11.1119","0.0005","11.4634","0.0005","103.369","0.004","106.943","0.003","107.517","0.003","953.98","0.08","100","1","100","1","","","","","","","","6","P -1","-P 1","2","","","","- C18 H18 Br Cl3 P Pt0.5 -","- C18 H18 Br Cl3 P Pt0.5 -","- C36 H36 Br2 Cl6 P2 Pt -","2","1","","Klingenberg, Margarita A.; Bogachenkov, Alexander S.; Kinzhalov, Mikhail A.; Vasilyev, Aleksander V.; Boyarskiy, Vadim P.","1,4-Dihydrophosphinolines and their complexes with group 10 metals","New J. Chem.","2016","40","4","3336","","10.1039/C5NJ03038B","","","1.54184","CuKα","","0.0253","0.0209","","","0.0492","0.0507","","","","","","1.103","","","","has coordinates","182768","2020-10-21","18:00:00",""
"7055369","11.9317","0.0006","15.5172","0.0006","16.9442","0.0008","90","","100.854","0.005","90","","3081","0.2","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C34 H34 Cl2 P2 Pt -","- C34 H34 Cl2 P2 Pt -","- C136 H136 Cl8 P8 Pt4 -","4","1","","Klingenberg, Margarita A.; Bogachenkov, Alexander S.; Kinzhalov, Mikhail A.; Vasilyev, Aleksander V.; Boyarskiy, Vadim P.","1,4-Dihydrophosphinolines and their complexes with group 10 metals","New J. Chem.","2016","40","4","3336","","10.1039/C5NJ03038B","","","1.54184","CuKα","","0.0728","0.0557","","","0.1424","0.165","","","","","","1.075","","","","has coordinates","182768","2020-10-21","18:00:00",""
"7055370","12.2369","0.0004","8.2187","0.0002","15.0367","0.0005","90","","91.105","0.003","90","","1511.98","0.08","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C34 H34 Cl2 P2 Pd -","- C34 H34 Cl2 P2 Pd -","- C68 H68 Cl4 P4 Pd2 -","2","0.5","","Klingenberg, Margarita A.; Bogachenkov, Alexander S.; Kinzhalov, Mikhail A.; Vasilyev, Aleksander V.; Boyarskiy, Vadim P.","1,4-Dihydrophosphinolines and their complexes with group 10 metals","New J. Chem.","2016","40","4","3336","","10.1039/C5NJ03038B","","","1.54184","CuKα","","0.0437","0.0383","","","0.0897","0.0938","","","","","","1.076","","","","has coordinates","182768","2020-10-21","18:00:00",""
"7055371","9.5958","0.0006","15.6026","0.0009","16.4916","0.001","90","","103.752","0.002","90","","2398.3","0.3","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C46 H58 N4 O12 Zn3 -","- C46 H58 N4 O12 Zn3 -","- C92 H116 N8 O24 Zn6 -","2","0.5","","Akpan, Ekemini D.; Ojwach, Stephen O.; Omondi, Bernard; Nyamori, Vincent O.","Zn(ii) and Cu(ii) formamidine complexes: structural, kinetics and polymer tacticity studies in the ring-opening polymerization of ε-caprolactone and lactides","New J. Chem.","2016","40","4","3499","","10.1039/C5NJ03159A","","x-ray","0.71073","MoKα","","0.0287","0.0273","","","0.0715","0.0725","","","","","","1.059","","","","has coordinates","182770","2020-10-21","18:00:00",""
"7055372","13.957","0.0003","21.3908","0.0004","21.4967","0.0005","94.542","0.001","108.766","0.001","100.316","0.001","5913.7","0.2","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C58 H84 N4 O8 Zn2 -","- C58 H84 N4 O8 Zn2 -","- C232 H336 N16 O32 Zn8 -","4","2","","Akpan, Ekemini D.; Ojwach, Stephen O.; Omondi, Bernard; Nyamori, Vincent O.","Zn(ii) and Cu(ii) formamidine complexes: structural, kinetics and polymer tacticity studies in the ring-opening polymerization of ε-caprolactone and lactides","New J. Chem.","2016","40","4","3499","","10.1039/C5NJ03159A","","","0.71073","MoKα","","0.0475","0.0338","","","0.0815","0.091","","","","","","1.041","","","","has coordinates,has disorder","182770","2020-10-21","18:00:00",""
"7055373","15.4331","0.001","12.4453","0.0009","16.2537","0.0011","90","","104.965","0.003","90","","3016","0.4","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C58 H84 Cu2 N4 O8 -","- C19.3333 H28 Cu0.666667 N1.33333 O2.66667 -","- C116 H168 Cu4 N8 O16 -","6","1.5","","Akpan, Ekemini D.; Ojwach, Stephen O.; Omondi, Bernard; Nyamori, Vincent O.","Zn(ii) and Cu(ii) formamidine complexes: structural, kinetics and polymer tacticity studies in the ring-opening polymerization of ε-caprolactone and lactides","New J. Chem.","2016","40","4","3499","","10.1039/C5NJ03159A","","x-ray","0.71073","MoKα","","0.0361","0.0312","","","0.0815","0.0875","","","","","","1.095","","","","has coordinates","182770","2020-10-21","18:00:00",""
"7055374","9.4219","0.0007","12.1061","0.0009","20.8673","0.0018","85.831","0.005","85.579","0.005","77.657","0.004","2314.4","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C46 H60 N4 O8 Zn2 -","- C46 H60 N4 O8 Zn2 -","- C92 H120 N8 O16 Zn4 -","2","1","","Akpan, Ekemini D.; Ojwach, Stephen O.; Omondi, Bernard; Nyamori, Vincent O.","Zn(ii) and Cu(ii) formamidine complexes: structural, kinetics and polymer tacticity studies in the ring-opening polymerization of ε-caprolactone and lactides","New J. Chem.","2016","40","4","3499","","10.1039/C5NJ03159A","","","0.71073","MoKα","","0.0633","0.051","","","0.1165","0.1237","","","","","","1.135","","","","has coordinates,has disorder","182770","2020-10-21","18:00:00",""
"7055375","11.906","0.004","15.107","0.006","16.009","0.005","65.288","0.015","73.741","0.017","73.112","0.017","2461","1.5","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C26.5 H19 Cl N6 O3 S Zn -","- C26.5 H19 Cl N6 O3 S Zn -","- C106 H76 Cl4 N24 O12 S4 Zn4 -","4","2","","Indoria, Shikha; Lobana, Tarlok S.; Sood, Henna; Arora, Daljit S.; Hundal, Geeta; Jasinski, Jerry P.","Synthesis, spectroscopy, structures and antimicrobial activity of mixed-ligand zinc(ii) complexes of 5-nitro-salicylaldehyde thiosemicarbazones","New J. Chem.","2016","40","4","3642","","10.1039/C5NJ02822A","","","0.71073","MoKα","","0.1826","0.1169","","","0.3046","0.3884","","","","","","1.341","","","","has coordinates","182989","2020-10-21","18:00:00",""
"7055376","10.55","0.003","12.969","0.004","14.219","0.004","103.147","0.014","92.137","0.016","98.31","0.015","1869.6","1","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C73 H60 N24 O13 S4 Zn4 -","- C73 H56 N24 O13 S4 Zn4 -","- C73 H56 N24 O13 S4 Zn4 -","1","0.5","","Indoria, Shikha; Lobana, Tarlok S.; Sood, Henna; Arora, Daljit S.; Hundal, Geeta; Jasinski, Jerry P.","Synthesis, spectroscopy, structures and antimicrobial activity of mixed-ligand zinc(ii) complexes of 5-nitro-salicylaldehyde thiosemicarbazones","New J. Chem.","2016","40","4","3642","","10.1039/C5NJ02822A","","","0.71073","MoKα","","0.0478","0.0422","","","0.1205","0.1253","","","","","","1.018","","","","has coordinates","182774","2020-10-21","18:00:00",""
"7055377","6.0475","0.0006","12.1271","0.0011","14.1409","0.0015","86.254","0.003","82.737","0.004","81.271","0.003","1015.71","0.17","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C21 H16 N6 O3 S Zn -","- C21 H16 N6 O3 S Zn -","- C42 H32 N12 O6 S2 Zn2 -","2","1","","Indoria, Shikha; Lobana, Tarlok S.; Sood, Henna; Arora, Daljit S.; Hundal, Geeta; Jasinski, Jerry P.","Synthesis, spectroscopy, structures and antimicrobial activity of mixed-ligand zinc(ii) complexes of 5-nitro-salicylaldehyde thiosemicarbazones","New J. Chem.","2016","40","4","3642","","10.1039/C5NJ02822A","","","0.71073","MoKα","","0.0552","0.0365","","","0.0885","0.0972","","","","","","0.987","","","","has coordinates","182774","2020-10-21","18:00:00",""
"7055378","22.2366","0.0008","12.0486","0.0005","17.9814","0.0006","90","","114.994","0.0012","90","","4366.4","0.3","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C20 H18 N6 O3 S Zn -","- C20 H18 N6 O3 S Zn -","- C160 H144 N48 O24 S8 Zn8 -","8","1","","Indoria, Shikha; Lobana, Tarlok S.; Sood, Henna; Arora, Daljit S.; Hundal, Geeta; Jasinski, Jerry P.","Synthesis, spectroscopy, structures and antimicrobial activity of mixed-ligand zinc(ii) complexes of 5-nitro-salicylaldehyde thiosemicarbazones","New J. Chem.","2016","40","4","3642","","10.1039/C5NJ02822A","","","0.71073","MoKα","","0.0561","0.0334","","","0.0844","0.0942","","","","","","1.028","","","","has coordinates","182774","2020-10-21","18:00:00",""
"7055379","7.9317","0.0014","11.671","0.002","14.471","0.003","111.165","0.009","91.581","0.01","102.581","0.009","1210.9","0.4","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C24 H21 N7 O3 S Zn -","- C24 H21 N7 O3 S Zn -","- C48 H42 N14 O6 S2 Zn2 -","2","1","","Indoria, Shikha; Lobana, Tarlok S.; Sood, Henna; Arora, Daljit S.; Hundal, Geeta; Jasinski, Jerry P.","Synthesis, spectroscopy, structures and antimicrobial activity of mixed-ligand zinc(ii) complexes of 5-nitro-salicylaldehyde thiosemicarbazones","New J. Chem.","2016","40","4","3642","","10.1039/C5NJ02822A","","","0.71073","MoKα","","0.1074","0.0875","","","0.2298","0.2389","","","","","","1.102","","","","has coordinates","182774","2020-10-21","18:00:00",""
"7055380","9.7377","0.0013","10.8604","0.0012","11.9599","0.0015","67.51","0.011","76.142","0.011","76.077","0.011","1118.9","0.3","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C24 H18 N6 O3 S Zn -","- C24 H18 N6 O3 S Zn -","- C48 H36 N12 O6 S2 Zn2 -","2","1","","Indoria, Shikha; Lobana, Tarlok S.; Sood, Henna; Arora, Daljit S.; Hundal, Geeta; Jasinski, Jerry P.","Synthesis, spectroscopy, structures and antimicrobial activity of mixed-ligand zinc(ii) complexes of 5-nitro-salicylaldehyde thiosemicarbazones","New J. Chem.","2016","40","4","3642","","10.1039/C5NJ02822A","","","1.54178","CuKα","","0.0416","0.0388","","","0.1045","0.1078","","","","","","1.054","","","","has coordinates","182774","2020-10-21","18:00:00",""
"7055381","12.389","0.0003","17.8502","0.0004","20.4246","0.0005","80.244","0.002","82.55","0.002","85.849","0.002","4408.04","0.18","183","1","183","1","","","","","","","","6","P -1","-P 1","2","","","","- C70 H89 Cr4 Dy N14 O43 -","- C70 H89 Cr4 Dy N14 O43 -","- C140 H178 Cr8 Dy2 N28 O86 -","2","1","","Blacque, Olivier; Amjad, Asma; Caneschi, Andrea; Sorace, Lorenzo; Car, Pierre-Emmanuel","Synthesis, structure, magnetic and magnetocaloric properties of a series of {CrIII4LnIII} complexes","New J. Chem.","2016","40","4","3571","","10.1039/C6NJ00136J","","x-ray","0.71073","MoKα","","0.0777","0.0474","","","0.0977","0.1145","","","","","","1.052","","","","has coordinates","182769","2020-10-21","18:00:00",""
"7055382","16.7984","0.0003","24.1625","0.0004","22.0725","0.0004","90","","95.739","0.002","90","","8914.1","0.3","183","1","183","1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C70 H91 Cr4 Dy N14 O44 -","- C70 H51 Cr4 Dy N14 O44 -","- C280 H204 Cr16 Dy4 N56 O176 -","4","1","","Blacque, Olivier; Amjad, Asma; Caneschi, Andrea; Sorace, Lorenzo; Car, Pierre-Emmanuel","Synthesis, structure, magnetic and magnetocaloric properties of a series of {CrIII4LnIII} complexes","New J. Chem.","2016","40","4","3571","","10.1039/C6NJ00136J","","x-ray","0.71073","MoKα","","0.0763","0.0504","","","0.1237","0.1374","","","","","","1.052","","","","has coordinates,has disorder","182769","2020-10-21","18:00:00",""
"7055383","16.7168","0.0003","24.1981","0.0003","22.127","0.0004","90","","95.645","0.0017","90","","8907.3","0.3","183","1","183","1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C70 H91 Cr4 N14 O44 Tb -","- C70 H51 Cr4 N14 O44 Tb -","- C280 H204 Cr16 N56 O176 Tb4 -","4","1","","Blacque, Olivier; Amjad, Asma; Caneschi, Andrea; Sorace, Lorenzo; Car, Pierre-Emmanuel","Synthesis, structure, magnetic and magnetocaloric properties of a series of {CrIII4LnIII} complexes","New J. Chem.","2016","40","4","3571","","10.1039/C6NJ00136J","","","1.54184","CuKα","","0.0949","0.0705","","","0.2068","0.2262","","","","","","1.05","","","","has coordinates,has disorder","182769","2020-10-21","18:00:00",""
"7055384","16.81501","0.00017","24.2384","0.0002","22.06575","0.00019","90","","95.8109","0.0009","90","","8947.1","0.14","183","1","183","1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C70 H91 Cr4 Gd N14 O44 -","- C70 H51 Cr4 Gd N14 O44 -","- C280 H204 Cr16 Gd4 N56 O176 -","4","1","","Blacque, Olivier; Amjad, Asma; Caneschi, Andrea; Sorace, Lorenzo; Car, Pierre-Emmanuel","Synthesis, structure, magnetic and magnetocaloric properties of a series of {CrIII4LnIII} complexes","New J. Chem.","2016","40","4","3571","","10.1039/C6NJ00136J","","x-ray","1.54184","CuKα","","0.0594","0.047","","","0.1247","0.1347","","","","","","1.037","","","","has coordinates,has disorder","182769","2020-10-21","18:00:00",""
"7055385","7.5348","0.0005","8.5333","0.0004","17.6251","0.0012","76.322","0.005","79.285","0.005","69.702","0.005","1025.99","0.12","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H17 N6 O3 Re -","- C20 H17 N6 O3 Re -","- C40 H34 N12 O6 Re2 -","2","1","","Simpson, Peter V.; Skelton, Brian W.; Raiteri, Paolo; Massi, Massimiliano","Photophysical and photochemical studies of tricarbonyl rhenium(i) N-heterocyclic carbene complexes containing azide and triazolate ligands","New J. Chem.","2016","40","7","5797","","10.1039/C5NJ03301B","","x-ray","0.71073","MoKα","","0.0344","0.031","","","0.0718","0.0731","","","","","","1.125","","","","has coordinates,has disorder","185575","2020-10-21","18:00:00",""
"7055386","7.7716","0.0002","11.1256","0.0003","15.1208","0.0003","81.412","0.002","77.239","0.002","75.665","0.002","1229.19","0.05","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C19.69 H17.37 Cl1.37 N7 O3 Re -","- C19.687 H17.374 Cl1.374 N7 O3 Re -","- C39.374 H34.748 Cl2.748 N14 O6 Re2 -","2","1","","Simpson, Peter V.; Skelton, Brian W.; Raiteri, Paolo; Massi, Massimiliano","Photophysical and photochemical studies of tricarbonyl rhenium(i) N-heterocyclic carbene complexes containing azide and triazolate ligands","New J. Chem.","2016","40","7","5797","","10.1039/C5NJ03301B","","x-ray","0.71073","MoKα","","0.035","0.0341","","","0.0922","0.0929","","","","","","1.121","","","","has coordinates,has disorder","185575","2020-10-21","18:00:00",""
"7055387","11.3508","0.0002","14.0357","0.0002","16.9573","0.0002","90","","105.98","0.002","90","","2597.18","0.07","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C26 H23 N6 O7 Re -","- C26 H23 N6 O7 Re -","- C104 H92 N24 O28 Re4 -","4","1","","Simpson, Peter V.; Skelton, Brian W.; Raiteri, Paolo; Massi, Massimiliano","Photophysical and photochemical studies of tricarbonyl rhenium(i) N-heterocyclic carbene complexes containing azide and triazolate ligands","New J. Chem.","2016","40","7","5797","","10.1039/C5NJ03301B","","x-ray","0.71073","MoKα","","0.0469","0.0326","","","0.0572","0.061","","","","","","1.086","","","","has coordinates","185575","2020-10-21","18:00:00",""
"7055388","10.6216","0.0002","11.4287","0.0001","21.8647","0.0003","90","","95.109","0.001","90","","2643.63","0.07","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C25 H22 N7 O7 Re -","- C25 H22 N7 O7 Re -","- C100 H88 N28 O28 Re4 -","4","1","","Simpson, Peter V.; Skelton, Brian W.; Raiteri, Paolo; Massi, Massimiliano","Photophysical and photochemical studies of tricarbonyl rhenium(i) N-heterocyclic carbene complexes containing azide and triazolate ligands","New J. Chem.","2016","40","7","5797","","10.1039/C5NJ03301B","","x-ray","0.71073","MoKα","","0.0362","0.0275","","","0.0573","0.0607","","","","","","1.052","","","","has coordinates","185575","2020-10-21","18:00:00",""
"7055389","11.801","0.006","13.315","0.006","17.303","0.008","110.308","0.011","91.184","0.012","104.924","0.012","2446","2","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C38 H30 Cl2 Fe N10 O10 -","- C38 H30 Cl2 Fe N10 O10 -","- C76 H60 Cl4 Fe2 N20 O20 -","2","1","","Shen, Fu-Xing; Huang, Wei; Yamamoto, Takashi; Einaga, Yasuaki; Wu, Dayu","Preparation of dihydroquinazoline carbohydrazone Fe(ii) complexes for spin crossover","New J. Chem.","2016","40","5","4534","","10.1039/C5NJ03095A","","","0.71073","MoKα","","0.2083","0.1351","","","0.3517","0.4","","","","","","1.099","","","","has coordinates,has disorder","183745","2020-10-21","18:00:00",""
"7055390","11.891","0.0019","12.235","0.002","18.064","0.003","72.999","0.004","75.187","0.003","86.189","0.003","2429.6","0.7","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C38 H30 B2 F8 Fe N10 O2 -","- C38 H30 B2 F8 Fe N10 O2 -","- C76 H60 B4 F16 Fe2 N20 O4 -","2","1","","Shen, Fu-Xing; Huang, Wei; Yamamoto, Takashi; Einaga, Yasuaki; Wu, Dayu","Preparation of dihydroquinazoline carbohydrazone Fe(ii) complexes for spin crossover","New J. Chem.","2016","40","5","4534","","10.1039/C5NJ03095A","","","0.71073","MoKα","","0.1105","0.0883","","","0.2567","0.2841","","","","","","1.086","","","","has coordinates,has disorder","183745","2020-10-21","18:00:00",""
"7055391","11.893","0.003","12.353","0.003","18.068","0.005","73.665","0.005","75.689","0.005","86.462","0.005","2468.2","1.1","180","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C38 H30 B2 F8 Fe N10 O2 -","- C38 H30 B2 F8 Fe N10 O2 -","- C76 H60 B4 F16 Fe2 N20 O4 -","2","1","","Shen, Fu-Xing; Huang, Wei; Yamamoto, Takashi; Einaga, Yasuaki; Wu, Dayu","Preparation of dihydroquinazoline carbohydrazone Fe(ii) complexes for spin crossover","New J. Chem.","2016","40","5","4534","","10.1039/C5NJ03095A","","","0.71073","MoKα","","0.1297","0.0962","","","0.2812","0.3096","","","","","","1.081","","","","has coordinates,has disorder","183745","2020-10-21","18:00:00",""
"7055392","11.8477","0.0019","14.823","0.002","16.192","0.004","104","0.005","98.38","0.005","113.241","0.004","2440.7","0.8","200","2","200","2","","","","","","","","7","P -1","-P 1","2","","","","- C40 H30 F6 Fe N10 O8 S2 -","- C40 H30 F6 Fe N10 O8 S2 -","- C80 H60 F12 Fe2 N20 O16 S4 -","2","1","","Shen, Fu-Xing; Huang, Wei; Yamamoto, Takashi; Einaga, Yasuaki; Wu, Dayu","Preparation of dihydroquinazoline carbohydrazone Fe(ii) complexes for spin crossover","New J. Chem.","2016","40","5","4534","","10.1039/C5NJ03095A","","","0.71073","MoKα","","0.1651","0.1121","","","0.3086","0.3498","","","","","","1.083","","","","has coordinates","183745","2020-10-21","18:00:00",""
"7055393","33.209","0.004","14.8798","0.0018","18.8479","0.0018","90","","90","","90","","9313.6","1.8","100","2","100","2","","","","","","","","6","F d d 2","F 2 -2d","43","","","","- C42 H34 Cl2 Fe N8 O13 -","- C42 H34 Cl2 Fe N8 O13 -","- C336 H272 Cl16 Fe8 N64 O104 -","8","0.5","","Shen, Fu-Xing; Huang, Wei; Yamamoto, Takashi; Einaga, Yasuaki; Wu, Dayu","Preparation of dihydroquinazoline carbohydrazone Fe(ii) complexes for spin crossover","New J. Chem.","2016","40","5","4534","","10.1039/C5NJ03095A","","","0.71073","MoKα","","0.1398","0.0961","","","0.2473","0.2876","","","","","","1.033","","","","has coordinates,has disorder","183745","2020-10-21","18:00:00",""
"7055394","33.402","0.006","15.304","0.003","19.044","0.003","90","","90","","90","","9735","3","296","2","296","2","","","","","","","","6","F d d 2","F 2 -2d","43","","","","- C42 H35.33 Cl2 Fe N8 O12.67 -","- C42 H35.3332 Cl2 Fe N8 O12.6666 -","- C336 H282.666 Cl16 Fe8 N64 O101.333 -","8","0.5","","Shen, Fu-Xing; Huang, Wei; Yamamoto, Takashi; Einaga, Yasuaki; Wu, Dayu","Preparation of dihydroquinazoline carbohydrazone Fe(ii) complexes for spin crossover","New J. Chem.","2016","40","5","4534","","10.1039/C5NJ03095A","","","0.71073","MoKα","","0.1077","0.0911","","","0.2336","0.2491","","","","","","1.017","","","","has coordinates,has disorder","183745","2020-10-21","18:00:00",""
"7055395","32.579","0.01","17.101","0.004","18.604","0.004","90","","90","","90","","10365","5","296","2","296","2","","","","","","","","6","F d d 2","F 2 -2d","43","","","","- C42 H34 Cl2 Fe N8 O12 -","- C42 H34 Cl2 Fe N8 O12 -","- C336 H272 Cl16 Fe8 N64 O96 -","8","0.5","","Shen, Fu-Xing; Huang, Wei; Yamamoto, Takashi; Einaga, Yasuaki; Wu, Dayu","Preparation of dihydroquinazoline carbohydrazone Fe(ii) complexes for spin crossover","New J. Chem.","2016","40","5","4534","","10.1039/C5NJ03095A","","","0.71073","MoKα","","0.2022","0.0958","","","0.2304","0.3048","","","","","","0.966","","","","has coordinates,has disorder","183745","2020-10-21","18:00:00",""
"7055396","8.701","0.0005","14.815","0.0006","17.4601","0.0009","90","","118.559","0.005","90","","1976.8","0.2","150","1","150","1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C21 H22 N4 Sn -","- C21 H22 N4 Sn -","- C84 H88 N16 Sn4 -","4","1","","Švec, Petr; Bartoš, Karel; Růžičková, Zdeňka; Cuřínová, Petra; Dušek, Libor; Turek, Jan; De Proft, Frank; Růžička, Aleš","C,N-Chelated organotin(iv) azides: synthesis, structure and use within click chemistry","New J. Chem.","2016","40","7","5808","","10.1039/C5NJ03187G","","","0.71073","MoKα","","0.0248","0.0189","","","0.0441","0.0514","","","","","","1.216","","","","has coordinates","185591","2020-10-21","18:00:00",""
"7055397","10.9088","0.0009","13.31","0.0007","28.147","0.003","81.282","0.007","80.812","0.008","68.233","0.008","3727.7","0.6","150","1","150","1","","","","","","","","6","P -1","-P 1","2","","","","- C71 H79 Cl6 N15 O Sn3 -","- C71 H79 Cl6 N15 O Sn3 -","- C142 H158 Cl12 N30 O2 Sn6 -","2","1","","Švec, Petr; Bartoš, Karel; Růžičková, Zdeňka; Cuřínová, Petra; Dušek, Libor; Turek, Jan; De Proft, Frank; Růžička, Aleš","C,N-Chelated organotin(iv) azides: synthesis, structure and use within click chemistry","New J. Chem.","2016","40","7","5808","","10.1039/C5NJ03187G","","","0.71073","MoKα","","0.0591","0.0548","","","0.1229","0.1262","","","","","","1.054","","","","has coordinates,has disorder","185591","2020-10-21","18:00:00",""
"7055398","9.965","0.0006","14.07","0.0006","16.8031","0.0011","90","","120.993","0.006","90","","2019.6","0.2","150","1","150","1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H24 N8 Sn -","- C18 H24 N8 Sn -","- C72 H96 N32 Sn4 -","4","1","","Švec, Petr; Bartoš, Karel; Růžičková, Zdeňka; Cuřínová, Petra; Dušek, Libor; Turek, Jan; De Proft, Frank; Růžička, Aleš","C,N-Chelated organotin(iv) azides: synthesis, structure and use within click chemistry","New J. Chem.","2016","40","7","5808","","10.1039/C5NJ03187G","","","0.71073","MoKα","","0.0373","0.0298","","","0.0691","0.0755","","","","","","1.195","","","","has coordinates","185591","2020-10-21","18:00:00",""
"7055399","10.049","0.0003","13.4371","0.0012","18.4539","0.001","90","","103.31","0.004","90","","2424.9","0.3","150","1","150","1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H35 N5 Sn -","- C24 H35 N5 Sn -","- C96 H140 N20 Sn4 -","4","1","","Švec, Petr; Bartoš, Karel; Růžičková, Zdeňka; Cuřínová, Petra; Dušek, Libor; Turek, Jan; De Proft, Frank; Růžička, Aleš","C,N-Chelated organotin(iv) azides: synthesis, structure and use within click chemistry","New J. Chem.","2016","40","7","5808","","10.1039/C5NJ03187G","","","0.71073","MoKα","","0.0396","0.0256","","","0.0506","0.058","","","","","","1.146","","","","has coordinates","185591","2020-10-21","18:00:00",""
"7055400","32.4123","0.0005","9.6582","0.0003","16.382","0.0003","90","","103.131","0.002","90","","4994.2","0.2","150","1","150","1","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C26 H31 N5 Sn -","- C26 H31 N5 Sn -","- C208 H248 N40 Sn8 -","8","1","","Švec, Petr; Bartoš, Karel; Růžičková, Zdeňka; Cuřínová, Petra; Dušek, Libor; Turek, Jan; De Proft, Frank; Růžička, Aleš","C,N-Chelated organotin(iv) azides: synthesis, structure and use within click chemistry","New J. Chem.","2016","40","7","5808","","10.1039/C5NJ03187G","","","0.71073","MoKα","","0.0347","0.0244","","","0.0539","0.0615","","","","","","1.142","","","","has coordinates","185591","2020-10-21","18:00:00",""
"7055401","16.2012","0.0004","6.1332","0.0005","12.707","0.0002","90","","97.423","0.005","90","","1252.05","0.11","150","1","150","1","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C4 H9 N5 -","- C4 H9 N5 -","- C32 H72 N40 -","8","1","","Švec, Petr; Bartoš, Karel; Růžičková, Zdeňka; Cuřínová, Petra; Dušek, Libor; Turek, Jan; De Proft, Frank; Růžička, Aleš","C,N-Chelated organotin(iv) azides: synthesis, structure and use within click chemistry","New J. Chem.","2016","40","7","5808","","10.1039/C5NJ03187G","","","0.71073","MoKα","","0.0771","0.052","","","0.1251","0.1393","","","","","","1.117","","","","has coordinates","185591","2020-10-21","18:00:00",""
"7055402","13.389","0.0009","15.3861","0.0013","15.934","0.0007","90","","90","","90","","3282.5","0.4","150","1","150","1","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C13 H21 N7 Sn -","- C13 H21 N7 Sn -","- C104 H168 N56 Sn8 -","8","1","","Švec, Petr; Bartoš, Karel; Růžičková, Zdeňka; Cuřínová, Petra; Dušek, Libor; Turek, Jan; De Proft, Frank; Růžička, Aleš","C,N-Chelated organotin(iv) azides: synthesis, structure and use within click chemistry","New J. Chem.","2016","40","7","5808","","10.1039/C5NJ03187G","","","0.71073","MoKα","","0.0516","0.0246","","","0.0486","0.0631","","","","","","1.168","","","","has coordinates","185591","2020-10-21","18:00:00",""
"7055403","6.816","0.0014","17.247","0.003","27.329","0.006","90","","91.03","0.03","90","","3212.2","1.1","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C36 H44 Cl2 N12 O26 Pr2 -","- C36 H44 Cl2 N12 O26 Pr2 -","- C72 H88 Cl4 N24 O52 Pr4 -","2","0.5","","Liu, Qing-Ling; Yang, Li-Jing; Luo, Yang-Hui; Sun, Baiwang","Lanthanide-based coordination compounds assembled by 4-(4-carboxyphenyl)-1,2,4-triazole: synthesis, structures, Hirshfeld surface and luminescence properties","New J. Chem.","2016","","","","","10.1039/C5NJ03499J","","","0.71073","MoKα","","0.0935","0.0573","","","0.1381","0.1535","","","","","","0.963","","","","has coordinates","177276","2020-10-21","18:00:00",""
"7055404","21.171","0.004","14.704","0.003","10.024","0.002","90","","96.03","0.03","90","","3103.2","1.1","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C18 H21 Er N6 O9 -","- C18 H21 Er N6 O9 -","- C72 H84 Er4 N24 O36 -","4","0.5","","Liu, Qing-Ling; Yang, Li-Jing; Luo, Yang-Hui; Sun, Baiwang","Lanthanide-based coordination compounds assembled by 4-(4-carboxyphenyl)-1,2,4-triazole: synthesis, structures, Hirshfeld surface and luminescence properties","New J. Chem.","2016","","","","","10.1039/C5NJ03499J","","","0.71073","MoKα","","0.1321","0.0827","","","0.1877","0.2108","","","","","","0.99","","","","has coordinates","177276","2020-10-21","18:00:00",""
"7055405","12.668","0.003","15.483","0.003","14.625","0.003","90","","113.28","0.03","90","","2635","1.1","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C20 H23 Cl N6 O12 Sm -","- C20 H23 Cl N6 O12 Sm -","- C80 H92 Cl4 N24 O48 Sm4 -","4","1","","Liu, Qing-Ling; Yang, Li-Jing; Luo, Yang-Hui; Sun, Baiwang","Lanthanide-based coordination compounds assembled by 4-(4-carboxyphenyl)-1,2,4-triazole: synthesis, structures, Hirshfeld surface and luminescence properties","New J. Chem.","2016","","","","","10.1039/C5NJ03499J","","","0.71073","MoKα","","0.1681","0.0771","","","0.1076","0.1281","","","","","","1.001","","","","has coordinates","177276","2020-10-21","18:00:00",""
"7055406","21.218","0.004","14.37","0.003","9.954","0.002","90","","96.35","0.03","90","","3016.4","1.1","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C18 H22 Lu N6 O9 -","- C18 H22 Lu N6 O9 -","- C72 H88 Lu4 N24 O36 -","4","0.5","","Liu, Qing-Ling; Yang, Li-Jing; Luo, Yang-Hui; Sun, Baiwang","Lanthanide-based coordination compounds assembled by 4-(4-carboxyphenyl)-1,2,4-triazole: synthesis, structures, Hirshfeld surface and luminescence properties","New J. Chem.","2016","","","","","10.1039/C5NJ03499J","","","0.71073","MoKα","","0.092","0.0696","","","0.1649","0.1773","","","","","","1.09","","","","has coordinates","177276","2020-10-21","18:00:00",""
"7055407","10.281","0.0006","18.6929","0.0013","24.7011","0.0016","90.145","0.002","99.641","0.002","104.611","0.002","4523.7","0.5","100","0.2","100","0.2","","","","","","","","6","P -1","-P 1","2","","","","- C70 H101 I8 Mo6 N9 O19 -","- C70 H99 I8 Mo6 N9 O19 -","- C140 H198 I16 Mo12 N18 O38 -","2","1","","Mikhailov, Maksim A.; Brylev, Konstantin A.; Virovets, Alexandr V.; Gallyamov, Marsel R.; Novozhilov, Igor; Sokolov, Maxim N.","Complexes of {Mo6I8} with nitrophenolates: synthesis and luminescence","New J. Chem.","2016","40","2","1162","","10.1039/C5NJ02246K","","","0.71073","MoKα","","0.1161","0.0547","","","0.1022","0.1282","","","","","","0.969","","","","has coordinates,has disorder","177590","2020-10-21","18:00:00",""
"7055408","40.5","0.005","10.2557","0.0013","32.799","0.005","90","","123.367","0.007","90","","11378","3","100","0.2","100","0.2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C80 H114 I8 Mo6 N14 O33 -","- C80 H114 I8 Mo6 N14 O33 -","- C320 H456 I32 Mo24 N56 O132 -","4","0.5","","Mikhailov, Maksim A.; Brylev, Konstantin A.; Virovets, Alexandr V.; Gallyamov, Marsel R.; Novozhilov, Igor; Sokolov, Maxim N.","Complexes of {Mo6I8} with nitrophenolates: synthesis and luminescence","New J. Chem.","2016","40","2","1162","","10.1039/C5NJ02246K","","","0.71073","MoKα","","0.1087","0.0616","","","0.1352","0.1621","","","","","","1.085","","","","has coordinates,has disorder","177590","2020-10-21","18:00:00",""
"7055409","22.115","0.003","17.117","0.003","23.322","0.005","90","","109.896","0.003","90","","8301","3","293","2","293","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C37 H27 F10 Ir N8 O P -","- C37 H27 F10 Ir N8 O P -","- C296 H216 F80 Ir8 N64 O8 P8 -","8","1","","Huang, Shao-Fen; Sun, Hai-Zhu; Shan, Guo-Gang; Wu, Yong; Zhang, Min; Su, Zhong-Min","Towards an efficient blue emission cationic Ir(iii) complex with azole-type ancillary ligands: a joint theoretical and experimental study","New J. Chem.","2016","40","5","4635","","10.1039/C5NJ03045E","","","0.71069","MoKα","","0.0747","0.0396","","","0.1001","0.117","","","","","","0.683","","","","has coordinates","208944","2020-10-21","18:00:00",""
"7055410","9.844","0.0004","24.218","0.0011","15.788","0.0007","90","","101.857","0.001","90","","3683.6","0.3","293","2","293","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C33 H21 Cl2 F10 Ir N7 P -","- C33 H21 Cl2 F10 Ir N7 P -","- C132 H84 Cl8 F40 Ir4 N28 P4 -","4","1","","Huang, Shao-Fen; Sun, Hai-Zhu; Shan, Guo-Gang; Wu, Yong; Zhang, Min; Su, Zhong-Min","Towards an efficient blue emission cationic Ir(iii) complex with azole-type ancillary ligands: a joint theoretical and experimental study","New J. Chem.","2016","40","5","4635","","10.1039/C5NJ03045E","","","0.71069","MoKα","","0.0597","0.0422","","","0.1046","0.1197","","","","","","1.077","","","","has coordinates","183743","2020-10-21","18:00:00",""
"7055411","11.253","0.0008","11.583","0.0008","15.263","0.0011","103.296","0.0013","99.143","0.0015","109.752","0.0014","1760.3","0.2","298","2","298","2","","","","","","","","7","P -1","-P 1","2","","","","- C28.5 H23 Cl3 F10 Ir N8 P -","- C28.5 H23 Cl3 F10 Ir N8 P -","- C57 H46 Cl6 F20 Ir2 N16 P2 -","2","1","","Huang, Shao-Fen; Sun, Hai-Zhu; Shan, Guo-Gang; Wu, Yong; Zhang, Min; Su, Zhong-Min","Towards an efficient blue emission cationic Ir(iii) complex with azole-type ancillary ligands: a joint theoretical and experimental study","New J. Chem.","2016","40","5","4635","","10.1039/C5NJ03045E","","","0.71069","MoKα","","0.0616","0.0419","","","0.083","0.0908","","","","","","1.041","","","","has coordinates,has disorder","183743","2020-10-21","18:00:00",""
"7055412","11.2861","0.0003","13.9823","0.0003","11.9367","0.0003","90","","91.985","0.002","90","","1882.55","0.08","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C34 H30 Cu N8 O8 S2 -","- C34 H30 Cu N8 O8 S2 -","- C68 H60 Cu2 N16 O16 S4 -","2","0.5","","Sahu, Nilima; Das, Dipankar; Mondal, Sudipa; Roy, Suman; Dutta, Paramita; Sepay, Nayim; Gupta, Suvroma; López-Torres, Elena; Sinha, Chittaranjan","The structural characterization and biological activity of sulfamethoxazolyl-azo-p-cresol, its copper(ii) complex and their theoretical studies","New J. Chem.","2016","40","6","5019","","10.1039/C5NJ02983J","","","0.71073","MoKα","","0.0675","0.038","","","0.0999","0.1216","","","","","","1.074","","","","has coordinates","183739","2020-10-21","18:00:00",""
"7055413","29.8607","0.0016","6.3552","0.0004","17.473","0.0011","90","","95.254","0.003","90","","3301.9","0.3","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C17 H16 N4 O4 S -","- C17 H16 N4 O4 S -","- C136 H128 N32 O32 S8 -","8","1","","Sahu, Nilima; Das, Dipankar; Mondal, Sudipa; Roy, Suman; Dutta, Paramita; Sepay, Nayim; Gupta, Suvroma; López-Torres, Elena; Sinha, Chittaranjan","The structural characterization and biological activity of sulfamethoxazolyl-azo-p-cresol, its copper(ii) complex and their theoretical studies","New J. Chem.","2016","40","6","5019","","10.1039/C5NJ02983J","","","0.71073","MoKα","","0.0539","0.0397","","","0.1013","0.1139","","","","","","1.055","","","","has coordinates","183739","2020-10-21","18:00:00",""
"7055414","16.979","0.001","10.3445","0.0009","15.9847","0.001","90","","90","","90","","2807.5","0.3","293","2","293","2","","","","","","","","4","P n 21 a","P -2ac -2n","33","","","","- C17 H16 N2 O -","- C17 H16 N2 O -","- C136 H128 N16 O8 -","8","2","","Palakollu, Veerabhadraiah; Vasu, Anuji K.; Thiruvenkatam, Vijay; Kanvah, Sriram","A sensitive AIEE probe for amphiphilic compounds","New J. Chem.","2016","40","5","4588","","10.1039/C5NJ02398J","","","1.54184","CuKα","","0.0609","0.0566","","","0.1344","0.1407","","","","","","1.13","","","","has coordinates","183744","2020-10-21","18:00:00",""
"7055415","11.5923","0.0003","16.9429","0.0003","14.1236","0.0003","90","","90.04","0.002","90","","2773.98","0.11","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C17 H32 Cl8 N4 Pt -","- C17 H32 Cl8 N4 Pt -","- C68 H128 Cl32 N16 Pt4 -","4","1","","Bogojeski, Jovana; Volbeda, Jeroen; Bugarcic, Zivadin D.; Freytag, Matthias; Tamm, Matthias","Platinum(II) complexes with hybrid amine-imidazolin-2-imine ligands and their reactivity toward bio-molecules","New J. Chem.","2016","","","","","10.1039/C5NJ03360H","","","0.71073","MoKα","","0.0329","0.0231","","","0.0393","0.0419","","","","","","1.065","","","","has coordinates","178315","2020-10-21","18:00:00",""
"7055416","11.9748","0.0003","10.242","0.0003","16.6859","0.0004","90","","97.307","0.003","90","","2029.84","0.09","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C29 H53 Au2 Cl7 N6 -","- C29 H53 Au2 Cl7 N6 -","- C58 H106 Au4 Cl14 N12 -","2","1","","Bogojeski, Jovana; Volbeda, Jeroen; Bugarcic, Zivadin D.; Freytag, Matthias; Tamm, Matthias","Platinum(II) complexes with hybrid amine-imidazolin-2-imine ligands and their reactivity toward bio-molecules","New J. Chem.","2016","","","","","10.1039/C5NJ03360H","","","0.71073","MoKα","","0.0542","0.0365","","","0.0722","0.0789","","","","","","1.055","","","","has coordinates","178315","2020-10-21","18:00:00",""
"7055417","12.6922","0.0003","8.9547","0.0002","21.1831","0.0006","90","","90","","90","","2407.56","0.1","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C14 H9 F4 N O -","- C14 H9 F4 N O -","- C112 H72 F32 N8 O8 -","8","1","","Panini, Piyush; Gonnade, Rajesh G.; Chopra, Deepak","Experimental and computational analysis of supramolecular motifs involving Csp2(aromatic)‒F and CF3groups in organic solids","New J. Chem.","2016","40","6","4981","","10.1039/C5NJ03211C","","","0.71073","MoKα","","0.0523","0.0397","","","0.0953","0.107","","","","","","1.064","","","","has coordinates,has disorder","183733","2020-10-21","18:00:00",""
"7055418","7.3568","0.0017","27.672","0.006","12.434","0.003","90","","90","","90","","2531.3","1","100","2","100","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C14 H10 F4 N O1.5 -","- C14 H10 F4 N O1.5 -","- C112 H80 F32 N8 O12 -","8","1","","Panini, Piyush; Gonnade, Rajesh G.; Chopra, Deepak","Experimental and computational analysis of supramolecular motifs involving Csp2(aromatic)‒F and CF3groups in organic solids","New J. Chem.","2016","40","6","4981","","10.1039/C5NJ03211C","","","0.71073","MoKα","","0.0613","0.0574","","","0.1396","0.1425","","","","","","1.108","","","","has coordinates,has disorder","183733","2020-10-21","18:00:00",""
"7055419","27.3179","0.0014","5.207","0.0002","8.3017","0.0003","90","","90","","90","","1180.87","0.09","100","2","100","2","","","","","","","","5","P 21 c n","P -2n 2a","33","","","","- C14 H9 F4 N O -","- C14 H9 F4 N O -","- C56 H36 F16 N4 O4 -","4","1","","Panini, Piyush; Gonnade, Rajesh G.; Chopra, Deepak","Experimental and computational analysis of supramolecular motifs involving Csp2(aromatic)‒F and CF3groups in organic solids","New J. Chem.","2016","40","6","4981","","10.1039/C5NJ03211C","","","0.71073","MoKα","","0.0569","0.0515","","","0.1201","0.1246","","","","","","1.105","","","","has coordinates","183733","2020-10-21","18:00:00",""
"7055420","8.0218","0.0001","39.7347","0.0006","7.8866","0.0001","90","","103.942","0.001","90","","2439.75","0.06","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H9 F4 N O -","- C14 H9 F4 N O -","- C112 H72 F32 N8 O8 -","8","2","","Panini, Piyush; Gonnade, Rajesh G.; Chopra, Deepak","Experimental and computational analysis of supramolecular motifs involving Csp2(aromatic)‒F and CF3groups in organic solids","New J. Chem.","2016","40","6","4981","","10.1039/C5NJ03211C","","","0.71073","MoKα","","0.0832","0.0541","","","0.1104","0.121","","","","","","1.028","","","","has coordinates","183733","2020-10-21","18:00:00",""
"7055421","7.156","0.003","7.072","0.003","23.277","0.009","90","","91.651","0.006","90","","1177.5","0.8","100","2","100","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C14 H9 F4 N O -","- C14 H9 F4 N O -","- C56 H36 F16 N4 O4 -","4","1","","Panini, Piyush; Gonnade, Rajesh G.; Chopra, Deepak","Experimental and computational analysis of supramolecular motifs involving Csp2(aromatic)‒F and CF3groups in organic solids","New J. Chem.","2016","40","6","4981","","10.1039/C5NJ03211C","","","0.71073","MoKα","","0.0423","0.0381","","","0.0944","0.0959","","","","","","1.042","","","","has coordinates,has disorder","183733","2020-10-21","18:00:00",""
"7055422","15.4221","0.0004","7.9238","0.0002","19.9518","0.0005","90","","90.921","0.001","90","","2437.83","0.11","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C14 H9 F4 N O -","- C14 H9 F4 N O -","- C112 H72 F32 N8 O8 -","8","2","","Panini, Piyush; Gonnade, Rajesh G.; Chopra, Deepak","Experimental and computational analysis of supramolecular motifs involving Csp2(aromatic)‒F and CF3groups in organic solids","New J. Chem.","2016","40","6","4981","","10.1039/C5NJ03211C","","","0.71073","MoKα","","0.0642","0.051","","","0.1361","0.1492","","","","","","1.083","","","","has coordinates","183733","2020-10-21","18:00:00",""
"7055423","12.9475","0.0016","9.5928","0.0011","10.0791","0.0012","90","","106.428","0.007","90","","1200.7","0.3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H9 F4 N O -","- C14 H9 F4 N O -","- C56 H36 F16 N4 O4 -","4","1","","Panini, Piyush; Gonnade, Rajesh G.; Chopra, Deepak","Experimental and computational analysis of supramolecular motifs involving Csp2(aromatic)‒F and CF3groups in organic solids","New J. Chem.","2016","40","6","4981","","10.1039/C5NJ03211C","","","0.71073","MoKα","","0.0773","0.0609","","","0.1868","0.2121","","","","","","1.112","","","","has coordinates","183733","2020-10-21","18:00:00",""
"7055424","8.9068","0.0013","14.315","0.002","9.8311","0.0015","90","","90","","90","","1253.5","0.3","100","2","100","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C14 H9 F4 N O -","- C14 H9 F4 N O -","- C56 H36 F16 N4 O4 -","4","1","","Panini, Piyush; Gonnade, Rajesh G.; Chopra, Deepak","Experimental and computational analysis of supramolecular motifs involving Csp2(aromatic)‒F and CF3groups in organic solids","New J. Chem.","2016","40","6","4981","","10.1039/C5NJ03211C","","","0.71073","MoKα","","0.0307","0.0302","","","0.0759","0.0763","","","","","","1.096","","","","has coordinates,has disorder","183733","2020-10-21","18:00:00",""
"7055425","11.0809","0.0003","21.8822","0.0005","15.3792","0.0004","90","","90.281","0.001","90","","3729.02","0.16","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H9 F4 N O -","- C14 H9 F4 N O -","- C168 H108 F48 N12 O12 -","12","3","","Panini, Piyush; Gonnade, Rajesh G.; Chopra, Deepak","Experimental and computational analysis of supramolecular motifs involving Csp2(aromatic)‒F and CF3groups in organic solids","New J. Chem.","2016","40","6","4981","","10.1039/C5NJ03211C","","","0.71073","MoKα","","0.0647","0.0427","","","0.0981","0.1077","","","","","","1.063","","","","has coordinates,has disorder","183733","2020-10-21","18:00:00",""
"7055426","4.8913","0.0003","25.8497","0.0015","9.6013","0.0007","90","","90.165","0.007","90","","1213.97","0.14","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H9 F4 N O -","- C14 H9 F4 N O -","- C56 H36 F16 N4 O4 -","4","1","","Panini, Piyush; Gonnade, Rajesh G.; Chopra, Deepak","Experimental and computational analysis of supramolecular motifs involving Csp2(aromatic)‒F and CF3groups in organic solids","New J. Chem.","2016","40","6","4981","","10.1039/C5NJ03211C","","","0.71073","MoKα","","0.0473","0.0395","","","0.0966","0.1021","","","","","","1.032","","","","has coordinates","183733","2020-10-21","18:00:00",""
"7055427","26.9156","0.0008","9.6838","0.0003","9.6832","0.0003","90","","90","","90","","2523.88","0.13","100","2","100","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C14 H9 F4 N O -","- C14 H9 F4 N O -","- C112 H72 F32 N8 O8 -","8","1","","Panini, Piyush; Gonnade, Rajesh G.; Chopra, Deepak","Experimental and computational analysis of supramolecular motifs involving Csp2(aromatic)‒F and CF3groups in organic solids","New J. Chem.","2016","40","6","4981","","10.1039/C5NJ03211C","","","0.71073","MoKα","","0.1226","0.0591","","","0.1514","0.1777","","","","","","1.053","","","","has coordinates,has disorder","183733","2020-10-21","18:00:00",""
"7055428","28.214","0.007","5.186","0.0012","16.02","0.004","90","","98.7","0.02","90","","2317","1","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C14 H9 F4 N O -","- C14 H9 F4 N O -","- C112 H72 F32 N8 O8 -","8","1","","Panini, Piyush; Gonnade, Rajesh G.; Chopra, Deepak","Experimental and computational analysis of supramolecular motifs involving Csp2(aromatic)‒F and CF3groups in organic solids","New J. Chem.","2016","40","6","4981","","10.1039/C5NJ03211C","","","0.71073","MoKα","","0.047","0.0373","","","0.0918","0.0973","","","","","","1.039","","","","has coordinates","183733","2020-10-21","18:00:00",""
"7055429","5.353","0.002","6.963","0.003","16.666","0.006","80.519","0.006","88.584","0.006","71.932","0.006","582.3","0.4","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H9 F4 N O -","- C14 H9 F4 N O -","- C28 H18 F8 N2 O2 -","2","1","","Panini, Piyush; Gonnade, Rajesh G.; Chopra, Deepak","Experimental and computational analysis of supramolecular motifs involving Csp2(aromatic)‒F and CF3groups in organic solids","New J. Chem.","2016","40","6","4981","","10.1039/C5NJ03211C","","","0.71073","MoKα","","0.0555","0.0443","","","0.1142","0.1198","","","","","","1.026","","","","has coordinates","183733","2020-10-21","18:00:00",""
"7055430","29.0413","0.0017","12.5389","0.0006","13.3299","0.0006","90","","92.096","0.004","90","","4850.8","0.4","110","","110","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","pyrrole derivative","pyrrolecyanoacetamide","","- C27 H20 Cl N3 O3 -","- C27 H20 Cl N3 O3 -","- C216 H160 Cl8 N24 O24 -","8","1","","Ambethkar, Sethurajan; Padmini, Vediappen; Bhuvanesh, Nattamai","A one-pot sequential five-component domino reaction for the expedient synthesis of polysubstituted pyrroles","New J. Chem.","2016","40","5","4705","","10.1039/C5NJ03444B","","","1.54178","CuKα","","0.0427","0.0343","","","0.0853","0.0888","","","","","","1.096","","","","has coordinates","183746","2020-10-21","18:00:00",""
"7055431","9.6519","0.0005","14.0468","0.0014","14.7341","0.0014","117.367","0.01","99.409","0.006","94.091","0.006","1725.5","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C74 H56 Co3 N12 O18 -","- C74 H56 Co3 N12 O18 -","- C74 H56 Co3 N12 O18 -","1","0.5","","Fan, Yan; Hu, Dong-Cheng; Yao, Xiao-Qiang; Yang, Yun-Xia; Liu, Jia-Cheng","Four cobalt(ii) complexes based on a new tricarboxylate with a naphthalene ring and different N-containing ligands: synthesis, crystal structures and magnetic properties","New J. Chem.","2016","40","6","5010","","10.1039/C6NJ00065G","","","0.71073","MoKα","","0.0633","0.0477","","","0.1157","0.1272","","","","","","1.054","","","","has coordinates","183730","2020-10-21","18:00:00",""
"7055432","11.7113","0.0006","10.46","0.0005","33.108","0.0016","90","","94.187","0.001","90","","4044.9","0.3","296","2","296","2","","","","","","","","5","P 1 2/n 1","-P 2yac","13","","","","- C92 H72 Co3 N12 O20 -","- C92 H72 Co3 N12 O20 -","- C184 H144 Co6 N24 O40 -","2","0.5","","Fan, Yan; Hu, Dong-Cheng; Yao, Xiao-Qiang; Yang, Yun-Xia; Liu, Jia-Cheng","Four cobalt(ii) complexes based on a new tricarboxylate with a naphthalene ring and different N-containing ligands: synthesis, crystal structures and magnetic properties","New J. Chem.","2016","40","6","5010","","10.1039/C6NJ00065G","","","0.71073","MoKα","","0.0845","0.058","","","0.0972","0.1105","","","","","","1.189","","","","has coordinates,has disorder","183730","2020-10-21","18:00:00",""
"7055433","16.136","0.002","9.3687","0.0013","21.052","0.003","90","","94.838","0.002","90","","3171.2","0.7","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C37 H26 Co N4 O9 -","- C37 H26 Co N4 O9 -","- C148 H104 Co4 N16 O36 -","4","1","","Fan, Yan; Hu, Dong-Cheng; Yao, Xiao-Qiang; Yang, Yun-Xia; Liu, Jia-Cheng","Four cobalt(ii) complexes based on a new tricarboxylate with a naphthalene ring and different N-containing ligands: synthesis, crystal structures and magnetic properties","New J. Chem.","2016","40","6","5010","","10.1039/C6NJ00065G","","","0.71073","MoKα","","0.0758","0.0545","","","0.1425","0.1564","","","","","","1.014","","","","has coordinates","183730","2020-10-21","18:00:00",""
"7055434","21.087","0.004","21.087","0.004","12.382","0.003","90","","90","","90","","5506","2","296","2","296","2","","","","","","","","5","P 43 21 2","P 4nw 2abw","96","","","","- C30 H25 Co2 N2 O10 -","- C30 H25 Co2 N2 O10 -","- C240 H200 Co16 N16 O80 -","8","1","","Fan, Yan; Hu, Dong-Cheng; Yao, Xiao-Qiang; Yang, Yun-Xia; Liu, Jia-Cheng","Four cobalt(ii) complexes based on a new tricarboxylate with a naphthalene ring and different N-containing ligands: synthesis, crystal structures and magnetic properties","New J. Chem.","2016","40","6","5010","","10.1039/C6NJ00065G","","","0.71073","MoKα","","0.0474","0.0343","","","0.0725","0.0781","","","","","","1.027","","","","has coordinates","183730","2020-10-21","18:00:00",""
"7055435","10.8225","0.0004","18.3578","0.0007","32.9471","0.0013","90","","90","","90","","6545.8","0.4","150","2","150","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C29 H30 Cl2 N9 O8.5 Ru -","- C29 H30 Cl2 N9 O8.5 Ru -","- C232 H240 Cl16 N72 O68 Ru8 -","8","1","","Shee, Nirmal K.; Drew, Michael G. B.; Datta, Dipankar","Tuning of the lowest excited states in mixed ruthenium(ii) polypyridyl complexes having RuN6cores by the conformation of the ancillary ligand. Emission from a3ligand-to-ligand-charge-transfer state","New J. Chem.","2016","40","6","5002","","10.1039/C5NJ03329B","","","0.71073","MoKα","","0.1181","0.0562","","","0.1251","0.1381","","","","","","0.881","","","","has coordinates","183731","2020-10-21","18:00:00",""
"7055436","9.2008","0.0007","33.423","0.003","11.4925","0.0008","90","","92.999","0.007","90","","3529.3","0.5","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C33 H32 Cl2 N9 O9.5 Ru -","- C33 H32 Cl2 N9 O9.5 Ru -","- C132 H128 Cl8 N36 O38 Ru4 -","4","1","","Shee, Nirmal K.; Drew, Michael G. B.; Datta, Dipankar","Tuning of the lowest excited states in mixed ruthenium(ii) polypyridyl complexes having RuN6cores by the conformation of the ancillary ligand. Emission from a3ligand-to-ligand-charge-transfer state","New J. Chem.","2016","40","6","5002","","10.1039/C5NJ03329B","","","0.71073","MoKα","","0.2066","0.0959","","","0.1334","0.1658","","","","","","0.974","","","","has coordinates","183731","2020-10-21","18:00:00",""
"7055437","12.2261","0.0003","27.7257","0.0006","17.0282","0.0004","90","","99.793","0.002","90","","5688.1","0.2","210","2","210","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","trans-dichlorido-bis(1,3-bis(2-ethoxy-2-oxoethyl)-imidazol-2-ylidine)- palladium(II)","","- C22 H32 Cl2 N4 O8 Pd -","- C22 H32.0002 Cl2 N4 O8 Pd -","- C176 H256.002 Cl16 N32 O64 Pd8 -","8","2","","Steeples, Elliot; Kelling, Alexandra; Schilde, Uwe; Esposito, Davide","Amino acid-derived N-heterocyclic carbene palladium complexes for aqueous phase Suzuki‒Miyaura couplings","New J. Chem.","2016","40","6","4922","","10.1039/C5NJ03337C","","","0.71073","MoKα","","0.0362","0.0297","","","0.0823","0.0846","","","","","","1.063","","","","has coordinates,has disorder","183735","2020-10-21","18:00:00",""
"7055438","10.392","0.0005","12.0677","0.0007","25.5618","0.001","90","","98.377","0.003","90","","3171.4","0.3","210","2","210","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","trans-dichlorido-bis(1,3-bis(2-ethoxy-2-oxopropyl)-imidazol-2-ylidine)- palladium(II)","","- C26 H40 Cl2 N4 O8 Pd -","- C26 H40 Cl2 N4 O8 Pd -","- C104 H160 Cl8 N16 O32 Pd4 -","4","0.5","","Steeples, Elliot; Kelling, Alexandra; Schilde, Uwe; Esposito, Davide","Amino acid-derived N-heterocyclic carbene palladium complexes for aqueous phase Suzuki‒Miyaura couplings","New J. Chem.","2016","40","6","4922","","10.1039/C5NJ03337C","","","0.71073","MoKα","","0.0251","0.0234","","","0.0601","0.061","","","","","","1.052","","","","has coordinates","183735","2020-10-21","18:00:00",""
"7055439","11.7256","0.0004","23.0938","0.0008","9.0944","0.0006","90","","99.52","0.004","90","","2428.7","0.2","210","2","210","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","trans-dichlorido-(1,3-bis(2-ethoxy-2-oxoethyl)-imidazol-2-ylidine)- pyridine-palladium(II) chloroform solvate","","- C17 H22 Cl5 N3 O4 Pd -","- C17 H22 Cl5 N3 O4 Pd -","- C68 H88 Cl20 N12 O16 Pd4 -","4","1","","Steeples, Elliot; Kelling, Alexandra; Schilde, Uwe; Esposito, Davide","Amino acid-derived N-heterocyclic carbene palladium complexes for aqueous phase Suzuki‒Miyaura couplings","New J. Chem.","2016","40","6","4922","","10.1039/C5NJ03337C","","","0.71073","MoKα","","0.0327","0.0241","","","0.0581","0.0613","","","","","","1.015","","","","has coordinates","183735","2020-10-21","18:00:00",""
"7055440","9.4985","0.0008","9.7104","0.0007","12.2951","0.001","93.265","0.006","95.848","0.006","98.828","0.006","1111.72","0.15","210","2","210","2","","","","","","","","6","P -1","-P 1","2","","trans-dichlorido-(1,3-bis(2-ethoxy-2-oxopropyl)-imidazol-2-ylidine)- pyridine-palladium(II) chloroform solvate","","- C18 H25 Cl2 N3 O4 Pd -","- C18 H25 Cl2 N3 O4 Pd -","- C36 H50 Cl4 N6 O8 Pd2 -","2","1","","Steeples, Elliot; Kelling, Alexandra; Schilde, Uwe; Esposito, Davide","Amino acid-derived N-heterocyclic carbene palladium complexes for aqueous phase Suzuki‒Miyaura couplings","New J. Chem.","2016","40","6","4922","","10.1039/C5NJ03337C","","","0.71073","MoKα","","0.0213","0.0194","","","0.0525","0.0533","","","","","","1.059","","","","has coordinates","183735","2020-10-21","18:00:00",""
"7055441","12.1184","0.0007","17.2908","0.0011","13.0821","0.0009","90","","100.846","0.004","90","","2692.2","0.3","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C34 H29 N3 O4 -","- C34 H29 N3 O4 -","- C136 H116 N12 O16 -","4","1","","Mathusalini, Sadasivam; Arasakumar, Thangaraj; Lakshmi, Krishnasamy; Lin, Chia-Her; Mohan, Palathurai Subramaniam; Ramnath, Madhusudhanan Gogul; Thirugnanasampandan, Ramaraj","Synthesis and biological evaluation of new spirooxindoles with embedded pharmacophores","New J. Chem.","2016","40","6","5164","","10.1039/C6NJ00534A","","","0.71073","MoKα","","0.0798","0.0505","","","0.1104","0.1255","","","","","","1.04","","","","has coordinates","183732","2020-10-21","18:00:00",""
"7055442","12.0551","0.0003","18.3685","0.0004","12.3323","0.0003","90","","90.898","0.001","90","","2730.46","0.11","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C30 H26 N4 O4 -","- C30 H26 N4 O4 -","- C120 H104 N16 O16 -","4","1","","Mathusalini, Sadasivam; Arasakumar, Thangaraj; Lakshmi, Krishnasamy; Lin, Chia-Her; Mohan, Palathurai Subramaniam; Ramnath, Madhusudhanan Gogul; Thirugnanasampandan, Ramaraj","Synthesis and biological evaluation of new spirooxindoles with embedded pharmacophores","New J. Chem.","2016","40","6","5164","","10.1039/C6NJ00534A","","","0.71073","MoKα","","0.0913","0.0533","","","0.1195","0.1326","","","","","","0.994","","","","has coordinates","183732","2020-10-21","18:00:00",""
"7055443","4.6149","0.0007","4.6149","0.0007","18.72","0.004","90","","90","","120","","345.27","0.1","153.15","","153.15","","","","","","","","","4","P -6 2 m","P -6 -2","189","","","","- Al4.68 B8 La2 O22 -","- Al4.68 B8 La2 O22 -","- Al4.68 B8 La2 O22 -","1","0.0833333","","Guo, Shu; Liu, Lijuan; Xia, Mingjun; Wang, Xiaoyang; Bai, Lei; Xu, Bo; Huang, Qian; Chen, Chuangtian","Crystal growth, structure and optical properties of a new acentric crystal La2Al4.68B8O22with a short UV absorption edge","New J. Chem.","2016","40","6","4870","","10.1039/C5NJ03646A","","","0.71073","MoKα","","0.0409","0.0379","","","0.1273","0.1322","","","","","","1.234","","","","has coordinates","183725","2020-10-21","18:00:00",""
"7055444","8.8082","0.0004","11.1431","0.0005","13.3105","0.0007","75.168","0.003","85.508","0.002","72.535","0.002","1204.68","0.1","115","2","115","","","","","","","","","3","P -1","-P 1","2","","","","- C27 H35 N5 -","- C27 H35 N5 -","- C54 H70 N10 -","2","1","","Sok, Nicolas; Baglin, Isabelle; Rousselin, Yoann; Boschetti, Frederic; Bernhard, Claire; Goze, Christine; Denat, Franck","Reinforced cyclam derivatives functionalized on the bridging unit","New J. Chem.","2016","40","7","5829","","10.1039/C5NJ03488D","","x-ray","0.71073","MoKα","","0.1007","0.0726","","","0.1282","0.1428","","","","","","1.119","","","","has coordinates","185594","2020-10-21","18:00:00",""
"7055445","9.8695","0.0003","12.1158","0.0003","14.4185","0.0005","78.653","0.002","80.247","0.001","73.002","0.002","1605.02","0.09","115","2","115","","","","","","","","","3","P -1","-P 1","2","","","","- C15 H27 N5 -","- C15 H27 N5 -","- C60 H108 N20 -","4","2","","Sok, Nicolas; Baglin, Isabelle; Rousselin, Yoann; Boschetti, Frederic; Bernhard, Claire; Goze, Christine; Denat, Franck","Reinforced cyclam derivatives functionalized on the bridging unit","New J. Chem.","2016","40","7","5829","","10.1039/C5NJ03488D","","x-ray","0.71073","MoKα","","0.0752","0.0558","","","0.1051","0.1153","","","","","","1.093","","","","has coordinates","185594","2020-10-21","18:00:00",""
"7055446","16.103","0.005","14.421","0.005","18.511","0.005","90","","90","","90","","4299","2","298","2","298","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C15 H31 Cu N7 O8 -","- C15 H31 Cu N7 O8 -","- C120 H248 Cu8 N56 O64 -","8","1","","Sok, Nicolas; Baglin, Isabelle; Rousselin, Yoann; Boschetti, Frederic; Bernhard, Claire; Goze, Christine; Denat, Franck","Reinforced cyclam derivatives functionalized on the bridging unit","New J. Chem.","2016","40","7","5829","","10.1039/C5NJ03488D","","x-ray","0.71073","MoKα","","0.1309","0.1076","","","0.2621","0.2768","","","","","","1.139","","","","has coordinates","185594","2020-10-21","18:00:00",""
"7055447","15.5335","0.0005","7.686","0.0002","21.3414","0.0007","90","","91.061","0.001","90","","2547.52","0.13","115","2","115","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C28 H36 N6 -","- C28 H36 N6 -","- C112 H144 N24 -","4","0.5","","Sok, Nicolas; Baglin, Isabelle; Rousselin, Yoann; Boschetti, Frederic; Bernhard, Claire; Goze, Christine; Denat, Franck","Reinforced cyclam derivatives functionalized on the bridging unit","New J. Chem.","2016","40","7","5829","","10.1039/C5NJ03488D","","x-ray","0.71073","MoKα","","0.0566","0.0473","","","0.1008","0.106","","","","","","1.093","","","","has coordinates","185594","2020-10-21","18:00:00",""
"7055448","9.3978","0.0004","7.9771","0.0003","33.7475","0.0014","90","","96.782","0.001","90","","2512.25","0.18","115","2","115","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C28 H36 N6 -","- C28 H36 N6 -","- C112 H144 N24 -","4","1","","Sok, Nicolas; Baglin, Isabelle; Rousselin, Yoann; Boschetti, Frederic; Bernhard, Claire; Goze, Christine; Denat, Franck","Reinforced cyclam derivatives functionalized on the bridging unit","New J. Chem.","2016","40","7","5829","","10.1039/C5NJ03488D","","x-ray","0.71073","MoKα","","0.0832","0.0627","","","0.119","0.1296","","","","","","1.096","","","","has coordinates","185594","2020-10-21","18:00:00",""
"7055449","9.0052","0.0003","14.4455","0.0004","23.8253","0.0007","90","","90","","90","","3099.31","0.16","115","2","115","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C29 H40 Cu N8 O7 -","- C29 H40 Cu N8 O7 -","- C116 H160 Cu4 N32 O28 -","4","1","","Sok, Nicolas; Baglin, Isabelle; Rousselin, Yoann; Boschetti, Frederic; Bernhard, Claire; Goze, Christine; Denat, Franck","Reinforced cyclam derivatives functionalized on the bridging unit","New J. Chem.","2016","40","7","5829","","10.1039/C5NJ03488D","","x-ray","0.71073","MoKα","","0.1114","0.0778","","","0.1406","0.1621","","","","","","1.224","","","","has coordinates,has disorder","185594","2020-10-21","18:00:00",""
"7055450","8.7485","0.0009","11.5996","0.0013","12.3113","0.0013","109.625","0.0017","101.813","0.0015","104.241","0.0017","1082.6","0.2","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","N,N-dimethylethanol ammonium tetrakis(trifluoroacetato)cerate","","- C12 H12 Ce F12 N O9 -","- C12 H12 Ce F12 N O9 -","- C24 H24 Ce2 F24 N2 O18 -","2","1","","Mansoor, Muhammad Adil; Mazhar, Muhammad; Ebadi, Mehdi; Ming, Huang Nay; Mat Teridi, Mohd Asri; Kong Mun, Lo","Effect of synergic cooperation on optical and photoelectrochemical properties of CeO2‒MnO composite thin films","New J. Chem.","2016","40","6","5177","","10.1039/C5NJ03446A","","","0.71073","MoKα","","0.0372","0.0333","","","0.0798","0.0823","","","","","","1.061","","","","has coordinates,has disorder","183740","2020-10-21","18:00:00",""
"7055451","10.9142","0.0017","13.574","0.002","14.539","0.002","90","","76.691","0.008","90","","2096.1","0.5","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C58 H42 N4 -","- C58 H42 N4 -","- C116 H84 N8 -","2","0.5","","Le Poul, Pascal; Le Poul, Nicolas; Golhen, Stephane; Robin-Le Guen, Françoise; Caro, Bertrand","The synthesis of flexible tetrapyridylethanes from pyridylpyrylium dications","New J. Chem.","2016","40","7","5666","","10.1039/C5NJ03257A","","","0.71073","MoKα","","0.2867","0.0919","","","0.218","0.3083","","","","","","0.935","","","","has coordinates","185592","2020-10-21","18:00:00",""
"7055452","9.899","0.002","10.339","0.002","16.807","0.003","100.87","0.03","99","0.03","98.93","0.03","1637.9","0.6","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C42 H32 Cl N4 O -","- C42 H32 Cl N4 O -","- C84 H64 Cl2 N8 O2 -","2","1","","Khan, Arshad; Wang, Mingliang; Usman, Rabia; Lu, Jiao; Sun, Hao; Du, Man; Zhang, Ruimin; Xu, Chunxiang","Organic charge-transfer complexes for the selective accommodation of aromatic isomers using anthracene derivatives and TCNQ","New J. Chem.","2016","40","6","5277","","10.1039/C5NJ03442F","","","0.71073","MoKα","","0.1915","0.1445","","","0.3293","0.3695","","","","","","1.288","","","","has coordinates","183720","2020-10-21","18:00:00",""
"7055453","9.928","0.002","10.632","0.002","16.282","0.003","76.58","0.03","72.43","0.03","77.68","0.03","1574.6","0.6","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C39 H32 N4 O -","- C39 H32 N4 O -","- C78 H64 N8 O2 -","2","1","","Khan, Arshad; Wang, Mingliang; Usman, Rabia; Lu, Jiao; Sun, Hao; Du, Man; Zhang, Ruimin; Xu, Chunxiang","Organic charge-transfer complexes for the selective accommodation of aromatic isomers using anthracene derivatives and TCNQ","New J. Chem.","2016","40","6","5277","","10.1039/C5NJ03442F","","","0.71073","MoKα","","0.0979","0.0576","","","0.1583","0.1862","","","","","","1.038","","","","has coordinates","183720","2020-10-21","18:00:00",""
"7055454","9.719","0.0019","10.356","0.002","17.804","0.004","74.09","0.03","86.73","0.03","85.69","0.03","1717.2","0.7","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C43 H34 N4 O -","- C43 H34 N4 O -","- C86 H68 N8 O2 -","2","1","","Khan, Arshad; Wang, Mingliang; Usman, Rabia; Lu, Jiao; Sun, Hao; Du, Man; Zhang, Ruimin; Xu, Chunxiang","Organic charge-transfer complexes for the selective accommodation of aromatic isomers using anthracene derivatives and TCNQ","New J. Chem.","2016","40","6","5277","","10.1039/C5NJ03442F","","","0.71073","MoKα","","0.1192","0.0642","","","0.1787","0.2047","","","","","","1.009","","","","has coordinates","183720","2020-10-21","18:00:00",""
"7055455","7.615","0.011","23.48","0.03","36.26","0.05","90","","90","","90","","6483","15","173","2","173","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C H O -","- C1.84293 H1.34031 O0.335079 -","- C352 H256 O64 -","191","23.875","","Wang, Xiu-Zhen; Yang, Hui-Hui; Li, Wei; Han, Bing-Jie; Liu, Yun-Jun","Studies on apoptosis in HeLa cells via the ROS-mediated mitochondrial pathway induced by new dibenzoxanthenes","New J. Chem.","2016","40","6","5255","","10.1039/C6NJ00250A","","","0.71073","MoKα","","0.0594","0.0428","","","0.1075","0.1169","","","","","","1.042","","","","has coordinates","183737","2020-10-21","18:00:00",""
"7055456","7.4491","","10.3933","","11.0563","","90","","109.711","","90","","805.831","","300","2","300","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- Al N O8 Si Y4 -","- Al N O8 Si Y4 -","- Al4 N4 O32 Si4 Y16 -","4","1","","Hua, Youjie; Li, Xiaojun; Zhang, Dawei; Ma, Hongping; Deng, Degang; Xu, Shiqing","The crystal structure and luminescence properties of novel Ce3+and Ce3+, Sm3±activated Y4SiAlO8N phosphors for near-UV white LEDs","New J. Chem.","2016","40","6","5458","","10.1039/C5NJ03712C","","","0.71073","","","0.057","","","","","","","","","","","","","","","has coordinates","183729","2020-10-21","18:00:00",""
"7055457","10.091","0.0002","11.388","0.0003","13.479","0.0004","73.422","0.001","69.695","0.001","63.977","0.002","1289.05","0.06","293","2","293.15","","","","","","","","","5","P -1","-P 1","2","","","","- C28 H54 N8 O43 Y4 -","- C28 H54 N8 O43 Y4 -","- C28 H54 N8 O43 Y4 -","1","0.5","","Lahoud, Marcelo G.; Muniz, Elaine C.; Arroyos, Guilherme; Fávaro, Marcelo A.; Davolos, Marian R.; D'Vries, Richard F.; Ellena, Javier; Freitas, Rafael S.; Arrighi, Everton; Frem, Regina C. G.","Rare earth coordination dinuclear compounds constructed from 3,5-dicarboxypyrazolate and succinate intermetallic bridges","New J. Chem.","2016","40","6","5338","","10.1039/C6NJ00140H","","","0.71073","MoKα","","0.0875","0.048","","","0.1079","0.1227","","","","","","1.049","","","","has coordinates","183738","2020-10-21","18:00:00",""
"7055458","10.305","0.0004","11.599","0.0004","13.731","0.0006","73.85","0.002","70.201","0.002","64.115","0.002","1372.74","0.1","293","2","293.15","","","","","","","","","5","P -1","-P 1","2","","","","- C28 H54 N8 O43 Yb4 -","- C28 H54 N8 O43 Yb4 -","- C28 H54 N8 O43 Yb4 -","1","0.5","","Lahoud, Marcelo G.; Muniz, Elaine C.; Arroyos, Guilherme; Fávaro, Marcelo A.; Davolos, Marian R.; D'Vries, Richard F.; Ellena, Javier; Freitas, Rafael S.; Arrighi, Everton; Frem, Regina C. G.","Rare earth coordination dinuclear compounds constructed from 3,5-dicarboxypyrazolate and succinate intermetallic bridges","New J. Chem.","2016","40","6","5338","","10.1039/C6NJ00140H","","","0.71073","MoKα","","0.0538","0.0382","","","0.0887","0.0926","","","","","","0.87","","","","has coordinates","183738","2020-10-21","18:00:00",""
"7055459","10.056","0.0003","11.366","0.0003","13.431","0.0002","73.444","0.002","69.55","0.002","63.985","0.001","1276.72","0.06","293","2","293.15","","","","","","","","","5","P -1","-P 1","2","","","","- C28 H54 N8 O43 Tm4 -","- C28 H54 N8 O43 Tm4 -","- C28 H54 N8 O43 Tm4 -","1","0.5","","Lahoud, Marcelo G.; Muniz, Elaine C.; Arroyos, Guilherme; Fávaro, Marcelo A.; Davolos, Marian R.; D'Vries, Richard F.; Ellena, Javier; Freitas, Rafael S.; Arrighi, Everton; Frem, Regina C. G.","Rare earth coordination dinuclear compounds constructed from 3,5-dicarboxypyrazolate and succinate intermetallic bridges","New J. Chem.","2016","40","6","5338","","10.1039/C6NJ00140H","","","0.71073","MoKα","","0.0509","0.046","","","0.1018","0.1047","","","","","","1.117","","","","has coordinates","183738","2020-10-21","18:00:00",""
"7055460","10.128","0.0002","11.415","0.0003","13.52","0.0004","73.404","0.002","69.808","0.001","63.993","0.002","1301.64","0.06","293","2","293.15","","","","","","","","","5","P -1","-P 1","2","","","","- C28 H54 N8 O43 Tb4 -","- C28 H54 N8 O43 Tb4 -","- C28 H54 N8 O43 Tb4 -","1","0.5","","Lahoud, Marcelo G.; Muniz, Elaine C.; Arroyos, Guilherme; Fávaro, Marcelo A.; Davolos, Marian R.; D'Vries, Richard F.; Ellena, Javier; Freitas, Rafael S.; Arrighi, Everton; Frem, Regina C. G.","Rare earth coordination dinuclear compounds constructed from 3,5-dicarboxypyrazolate and succinate intermetallic bridges","New J. Chem.","2016","40","6","5338","","10.1039/C6NJ00140H","","","0.71073","MoKα","","0.055","0.0412","","","0.0994","0.1081","","","","","","1.046","","","","has coordinates","183738","2020-10-21","18:00:00",""
"7055461","10.187","0.0002","11.469","0.0002","13.592","0.0003","73.47","0.001","69.91","0.001","64.02","0.001","1323.68","0.05","293","2","293.15","","","","","","","","","5","P -1","-P 1","2","","","","- C28 H54 N8 O43 Sm4 -","- C28 H54 N8 O43 Sm4 -","- C28 H54 N8 O43 Sm4 -","1","0.5","","Lahoud, Marcelo G.; Muniz, Elaine C.; Arroyos, Guilherme; Fávaro, Marcelo A.; Davolos, Marian R.; D'Vries, Richard F.; Ellena, Javier; Freitas, Rafael S.; Arrighi, Everton; Frem, Regina C. G.","Rare earth coordination dinuclear compounds constructed from 3,5-dicarboxypyrazolate and succinate intermetallic bridges","New J. Chem.","2016","40","6","5338","","10.1039/C6NJ00140H","","","0.71073","MoKα","","0.0473","0.0413","","","0.1","0.1058","","","","","","1.117","","","","has coordinates","183738","2020-10-21","18:00:00",""
"7055462","10.246","0.0002","11.534","0.0002","13.661","0.0004","73.662","0.001","70.046","0.002","64.068","0.002","1347.95","0.06","293","2","293.15","","","","","","","","","5","P -1","-P 1","2","","","","- C28 H54 N8 O43 Pr4 -","- C28 H54 N8 O43 Pr4 -","- C28 H54 N8 O43 Pr4 -","1","0.5","","Lahoud, Marcelo G.; Muniz, Elaine C.; Arroyos, Guilherme; Fávaro, Marcelo A.; Davolos, Marian R.; D'Vries, Richard F.; Ellena, Javier; Freitas, Rafael S.; Arrighi, Everton; Frem, Regina C. G.","Rare earth coordination dinuclear compounds constructed from 3,5-dicarboxypyrazolate and succinate intermetallic bridges","New J. Chem.","2016","40","6","5338","","10.1039/C6NJ00140H","","","0.71073","MoKα","","0.0535","0.0389","","","0.0924","0.1019","","","","","","1.039","","","","has coordinates","183738","2020-10-21","18:00:00",""
"7055463","10.224","0.0001","11.508","0.0001","13.638","0.0002","73.618","0.001","70.012","0.001","64.048","0.001","1339.14","0.03","293","2","293.15","","","","","","","","","5","P -1","-P 1","2","","","","- C28 H54 N8 Nd4 O43 -","- C28 H54 N8 Nd4 O43 -","- C28 H54 N8 Nd4 O43 -","1","0.5","","Lahoud, Marcelo G.; Muniz, Elaine C.; Arroyos, Guilherme; Fávaro, Marcelo A.; Davolos, Marian R.; D'Vries, Richard F.; Ellena, Javier; Freitas, Rafael S.; Arrighi, Everton; Frem, Regina C. G.","Rare earth coordination dinuclear compounds constructed from 3,5-dicarboxypyrazolate and succinate intermetallic bridges","New J. Chem.","2016","40","6","5338","","10.1039/C6NJ00140H","","","0.71073","MoKα","","0.0408","0.0368","","","0.0878","0.0901","","","","","","1.111","","","","has coordinates","183738","2020-10-21","18:00:00",""
"7055464","10.305","0.0004","11.599","0.0004","13.731","0.0006","73.85","0.002","70.201","0.002","64.115","0.002","1372.74","0.1","293.15","","293.15","","","","","","","","","5","P -1","-P 1","2","","","","- C28 H54 La4 N8 O43 -","- C28 H54 La4 N8 O43 -","- C28 H54 La4 N8 O43 -","1","0.5","","Lahoud, Marcelo G.; Muniz, Elaine C.; Arroyos, Guilherme; Fávaro, Marcelo A.; Davolos, Marian R.; D'Vries, Richard F.; Ellena, Javier; Freitas, Rafael S.; Arrighi, Everton; Frem, Regina C. G.","Rare earth coordination dinuclear compounds constructed from 3,5-dicarboxypyrazolate and succinate intermetallic bridges","New J. Chem.","2016","40","6","5338","","10.1039/C6NJ00140H","","","0.71073","MoKα","","0.0333","0.0297","","","0.071","0.073","","","","","","1.124","","","","has coordinates","183738","2020-10-21","18:00:00",""
"7055465","10.093","0.0002","11.385","0.0002","13.477","0.0003","73.394","0.001","69.724","0.001","63.98","0.001","1288.88","0.05","293","2","293.15","","","","","","","","","5","P -1","-P 1","2","","","","- C28 H54 Ho4 N8 O43 -","- C28 H54 Ho4 N8 O43 -","- C28 H54 Ho4 N8 O43 -","1","0.5","","Lahoud, Marcelo G.; Muniz, Elaine C.; Arroyos, Guilherme; Fávaro, Marcelo A.; Davolos, Marian R.; D'Vries, Richard F.; Ellena, Javier; Freitas, Rafael S.; Arrighi, Everton; Frem, Regina C. G.","Rare earth coordination dinuclear compounds constructed from 3,5-dicarboxypyrazolate and succinate intermetallic bridges","New J. Chem.","2016","40","6","5338","","10.1039/C6NJ00140H","","","0.71073","MoKα","","0.0381","0.0344","","","0.0928","0.0956","","","","","","1.08","","","","has coordinates","183738","2020-10-21","18:00:00",""
"7055466","10.15","0.0002","11.434","0.0002","13.55","0.0002","73.445","0.001","69.841","0.001","63.991","0.001","1309.92","0.04","293","2","293.15","","","","","","","","","5","P -1","-P 1","2","","","","- C28 H54 Gd4 N8 O43 -","- C28 H54 Gd4 N8 O43 -","- C28 H54 Gd4 N8 O43 -","1","0.5","","Lahoud, Marcelo G.; Muniz, Elaine C.; Arroyos, Guilherme; Fávaro, Marcelo A.; Davolos, Marian R.; D'Vries, Richard F.; Ellena, Javier; Freitas, Rafael S.; Arrighi, Everton; Frem, Regina C. G.","Rare earth coordination dinuclear compounds constructed from 3,5-dicarboxypyrazolate and succinate intermetallic bridges","New J. Chem.","2016","40","6","5338","","10.1039/C6NJ00140H","","","0.71073","MoKα","","0.0357","0.0322","","","0.0827","0.0844","","","","","","1.16","","","","has coordinates","183738","2020-10-21","18:00:00",""
"7055467","10.109","0.0003","11.399","0.0003","13.499","0.0004","73.409","0.002","69.756","0.002","63.988","0.002","1294.98","0.07","293","2","293.15","","","","","","","","","5","P -1","-P 1","2","Dysuc1","","","- C28 H54 Dy4 N8 O43 -","- C28 H54 Dy4 N8 O43 -","- C28 H54 Dy4 N8 O43 -","1","0.5","","Lahoud, Marcelo G.; Muniz, Elaine C.; Arroyos, Guilherme; Fávaro, Marcelo A.; Davolos, Marian R.; D'Vries, Richard F.; Ellena, Javier; Freitas, Rafael S.; Arrighi, Everton; Frem, Regina C. G.","Rare earth coordination dinuclear compounds constructed from 3,5-dicarboxypyrazolate and succinate intermetallic bridges","New J. Chem.","2016","40","6","5338","","10.1039/C6NJ00140H","","","0.71073","MoKα","","0.0551","0.0374","","","0.086","0.0956","","","","","","1.047","","","","has coordinates","183738","2020-10-21","18:00:00",""
"7055468","10.074","0.0002","11.371","0.0003","13.456","0.0003","73.413","0.002","69.658","0.001","63.977","0.001","1282.48","0.05","293","2","293.15","","","","","","","","","5","P -1","-P 1","2","","","","- C28 H54 Er4 N8 O43 -","- C28 H54 Er4 N8 O43 -","- C28 H54 Er4 N8 O43 -","1","0.5","","Lahoud, Marcelo G.; Muniz, Elaine C.; Arroyos, Guilherme; Fávaro, Marcelo A.; Davolos, Marian R.; D'Vries, Richard F.; Ellena, Javier; Freitas, Rafael S.; Arrighi, Everton; Frem, Regina C. G.","Rare earth coordination dinuclear compounds constructed from 3,5-dicarboxypyrazolate and succinate intermetallic bridges","New J. Chem.","2016","40","6","5338","","10.1039/C6NJ00140H","","","0.71073","MoKα","","0.0427","0.0388","","","0.0967","0.0988","","","","","","1.101","","","","has coordinates","183738","2020-10-21","18:00:00",""
"7055469","10.274","0.0002","11.564","0.0001","13.69","0.0002","73.749","0.001","70.114","0.001","64.092","0.001","1359.13","0.04","293.15","","293.15","","","","","","","","","5","P -1","-P 1","2","","","","- C28 H54 Ce4 N8 O43 -","- C28 H54 Ce4 N8 O43 -","- C28 H54 Ce4 N8 O43 -","1","0.5","","Lahoud, Marcelo G.; Muniz, Elaine C.; Arroyos, Guilherme; Fávaro, Marcelo A.; Davolos, Marian R.; D'Vries, Richard F.; Ellena, Javier; Freitas, Rafael S.; Arrighi, Everton; Frem, Regina C. G.","Rare earth coordination dinuclear compounds constructed from 3,5-dicarboxypyrazolate and succinate intermetallic bridges","New J. Chem.","2016","40","6","5338","","10.1039/C6NJ00140H","","","0.71073","MoKα","","0.0409","0.0368","","","0.0948","0.099","","","","","","1.039","","","","has coordinates","183738","2020-10-21","18:00:00",""
"7055470","20.469","0.004","10.079","0.002","6.722","0.0013","90","","90","","90","","1386.8","0.5","100","2","100","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C17 H12 B F2 N3 O -","- C17 H12 B F2 N3 O -","- C68 H48 B4 F8 N12 O4 -","4","1","","Sharma, Ritambhara; Lakshmi, Vellanki; Chatterjee, Tamal; Ravikanth, Mangalampalli","Effects of five membered aromatic heterocycles at the meso-position on the electronic properties of 3-pyrrolyl BODIPY","New J. Chem.","2016","40","7","5855","","10.1039/C6NJ00118A","","","0.71073","MoKα","","0.0557","0.0517","","","0.1406","0.1459","","","","","","0.986","","","","has coordinates","185570","2020-10-21","18:00:00",""
"7055471","12.1337","0.0007","13.0987","0.0008","25.2928","0.0015","90","","90","","90","","4019.9","0.4","299","2","299","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C45 H36 Cu F3 N4 P2 -","- C45 H36 Cu F3 N4 P2 -","- C180 H144 Cu4 F12 N16 P8 -","4","1","","Chen, Jing-Lin; Guo, Zong-Hao; Luo, Yan-Sheng; Qiu, Lu; He, Li-Hua; Liu, Sui-Jun; Wen, He-Rui; Wang, Jin-Yun","Luminescent monometallic Cu(i) triphenylphosphine complexes based on methylated 5-trifluoromethyl-3-(2′-pyridyl)-1,2,4-triazole ligands","New J. Chem.","2016","40","6","5325","","10.1039/C5NJ03529E","","","0.71073","MoKα","","0.0658","0.0477","","","0.1077","0.1162","","","","","","1.021","","","","has coordinates","183721","2020-10-21","18:00:00",""
"7055472","13.0739","0.0007","21.8016","0.0011","14.4235","0.0008","90","","103.883","0.001","90","","3991.1","0.4","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C45 H36 Cu F3 N4 P2 -","- C45 H36 Cu F3 N4 P2 -","- C180 H144 Cu4 F12 N16 P8 -","4","1","","Chen, Jing-Lin; Guo, Zong-Hao; Luo, Yan-Sheng; Qiu, Lu; He, Li-Hua; Liu, Sui-Jun; Wen, He-Rui; Wang, Jin-Yun","Luminescent monometallic Cu(i) triphenylphosphine complexes based on methylated 5-trifluoromethyl-3-(2′-pyridyl)-1,2,4-triazole ligands","New J. Chem.","2016","40","6","5325","","10.1039/C5NJ03529E","","","0.71073","MoKα","","0.0657","0.0465","","","0.1066","0.1212","","","","","","1.059","","","","has coordinates,has disorder","183721","2020-10-21","18:00:00",""
"7055473","12.1405","0.0009","12.9183","0.001","25.384","0.002","90","","90","","90","","3981.1","0.5","298","2","298","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C45 H36 Cu F3 N4 P2 -","- C45 H36 Cu F3 N4 P2 -","- C180 H144 Cu4 F12 N16 P8 -","4","1","","Chen, Jing-Lin; Guo, Zong-Hao; Luo, Yan-Sheng; Qiu, Lu; He, Li-Hua; Liu, Sui-Jun; Wen, He-Rui; Wang, Jin-Yun","Luminescent monometallic Cu(i) triphenylphosphine complexes based on methylated 5-trifluoromethyl-3-(2′-pyridyl)-1,2,4-triazole ligands","New J. Chem.","2016","40","6","5325","","10.1039/C5NJ03529E","","","0.71073","MoKα","","0.0663","0.0574","","","0.1137","0.1176","","","","","","1.183","","","","has coordinates","183721","2020-10-21","18:00:00",""
"7055474","37.228","0.003","15.266","0.0012","19.6526","0.0016","90","","120.178","0.002","90","","9655.3","1.4","300","2","300","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C46 H39 Cl3 Cu F3 N4 O4 P2 -","- C46 H39 Cl3 Cu F3 N4 O4 P2 -","- C368 H312 Cl24 Cu8 F24 N32 O32 P16 -","8","1","","Chen, Jing-Lin; Guo, Zong-Hao; Luo, Yan-Sheng; Qiu, Lu; He, Li-Hua; Liu, Sui-Jun; Wen, He-Rui; Wang, Jin-Yun","Luminescent monometallic Cu(i) triphenylphosphine complexes based on methylated 5-trifluoromethyl-3-(2′-pyridyl)-1,2,4-triazole ligands","New J. Chem.","2016","40","6","5325","","10.1039/C5NJ03529E","","","0.71073","MoKα","","0.1978","0.1079","","","0.2317","0.2876","","","","","","1.087","","","","has coordinates,has disorder","183721","2020-10-21","18:00:00",""
"7055475","10.4274","0.0004","15.7685","0.0007","27.1531","0.0012","90","","100.535","0.001","90","","4389.4","0.3","293","2","293","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C45 H37 Cl Cu F3 N4 O4 P2 -","- C45 H37 Cl Cu F3 N4 O4 P2 -","- C180 H148 Cl4 Cu4 F12 N16 O16 P8 -","4","1","","Chen, Jing-Lin; Guo, Zong-Hao; Luo, Yan-Sheng; Qiu, Lu; He, Li-Hua; Liu, Sui-Jun; Wen, He-Rui; Wang, Jin-Yun","Luminescent monometallic Cu(i) triphenylphosphine complexes based on methylated 5-trifluoromethyl-3-(2′-pyridyl)-1,2,4-triazole ligands","New J. Chem.","2016","40","6","5325","","10.1039/C5NJ03529E","","","0.71073","MoKα","","0.0809","0.0592","","","0.1563","0.1737","","","","","","1.044","","","","has coordinates","183721","2020-10-21","18:00:00",""
"7055476","9.107","0.0006","13.0905","0.0009","25.3601","0.0018","85.276","0.005","82.088","0.003","84.915","0.004","2975.2","0.4","110","2","110","2","","","","","","","","7","P -1","-P 1","2","","","","- C48 H56 Cl10 Cu2 N8 O4 S4 -","- C48 H56 Cl10 Cu2 N8 O4 S4 -","- C96 H112 Cl20 Cu4 N16 O8 S8 -","2","1","","Selvakumaran, Nagamani; Sandhiya, Lakshmanan; Bhuvanesh, Nattamai S. P.; Senthilkumar, Kittusamy; Karvembu, Ramasamy","Structural diversity in aroylthiourea copper complexes ‒ formation and biological evaluation of [Cu(i)(μ-S)SCl]2, cis-Cu(ii)S2O2, trans-Cu(ii)S2O2and Cu(i)S3cores","New J. Chem.","2016","40","6","5401","","10.1039/C5NJ03536H","","","1.54178","CuKα","","0.0462","0.0371","","","0.0963","0.1009","","","","","","1.045","","","","has coordinates","183723","2020-10-21","18:00:00",""
"7055477","8.5233","0.0006","13.2721","0.0009","13.6992","0.0009","70.31","0.004","82.388","0.004","74.666","0.004","1405.52","0.17","110","2","110","2","","","","","","","","7","P -1","-P 1","2","","","","- C24 H26 Cl4 Cu N4 O2 S2 -","- C24 H26 Cl4 Cu N4 O2 S2 -","- C48 H52 Cl8 Cu2 N8 O4 S4 -","2","1","","Selvakumaran, Nagamani; Sandhiya, Lakshmanan; Bhuvanesh, Nattamai S. P.; Senthilkumar, Kittusamy; Karvembu, Ramasamy","Structural diversity in aroylthiourea copper complexes ‒ formation and biological evaluation of [Cu(i)(μ-S)SCl]2, cis-Cu(ii)S2O2, trans-Cu(ii)S2O2and Cu(i)S3cores","New J. Chem.","2016","40","6","5401","","10.1039/C5NJ03536H","","","1.54178","CuKα","","0.0419","0.0393","","","0.1011","0.1023","","","","","","1.132","","","","has coordinates","183723","2020-10-21","18:00:00",""
"7055478","13.7134","0.001","13.7134","0.001","53.18","0.007","90","","90","","120","","8661","1.4","110","2","110","2","","","","","","","","7","R -3 :H","-R 3","148","","","","- C48 H66 Cl7 Cu N6 O3 S3 -","- C48 H66 Cl7 Cu N6 O3 S3 -","- C288 H396 Cl42 Cu6 N36 O18 S18 -","6","0.333333","","Selvakumaran, Nagamani; Sandhiya, Lakshmanan; Bhuvanesh, Nattamai S. P.; Senthilkumar, Kittusamy; Karvembu, Ramasamy","Structural diversity in aroylthiourea copper complexes ‒ formation and biological evaluation of [Cu(i)(μ-S)SCl]2, cis-Cu(ii)S2O2, trans-Cu(ii)S2O2and Cu(i)S3cores","New J. Chem.","2016","40","6","5401","","10.1039/C5NJ03536H","","","0.71073","MoKα","","0.0553","0.0446","","","0.1134","0.1188","","","","","","1.103","","","","has coordinates,has disorder","183723","2020-10-21","18:00:00",""
"7055479","9.887","0.004","19.632","0.007","10.33","0.004","90","","111.326","0.004","90","","1867.8","1.2","150","2","150","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C32 H42 Cl4 Cu N4 O2 S2 -","- C32 H42 Cl4 Cu N4 O2 S2 -","- C64 H84 Cl8 Cu2 N8 O4 S4 -","2","0.5","","Selvakumaran, Nagamani; Sandhiya, Lakshmanan; Bhuvanesh, Nattamai S. P.; Senthilkumar, Kittusamy; Karvembu, Ramasamy","Structural diversity in aroylthiourea copper complexes ‒ formation and biological evaluation of [Cu(i)(μ-S)SCl]2, cis-Cu(ii)S2O2, trans-Cu(ii)S2O2and Cu(i)S3cores","New J. Chem.","2016","40","6","5401","","10.1039/C5NJ03536H","","","0.71073","MoKα","","0.0322","0.0288","","","0.0747","0.0773","","","","","","1.049","","","","has coordinates","183723","2020-10-21","18:00:00",""
"7055480","19.109","0.004","8.808","0.0018","20.086","0.004","90","","90","","90","","3380.7","1.2","298","2","298","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C18 H15 Cl N2 O2 S -","- C18 H15 Cl N2 O2 S -","- C144 H120 Cl8 N16 O16 S8 -","8","2","","Sharafi-Kolkeshvandi, Mahnaz; Nematollahi, Davood; Nikpour, Farzad; Salahifar, Eslam","Electrochemical synthesis of 1-N-phenyl-4-(sulfonyl)benzene-1,2-diamine derivatives: a mild and regioselective protocol","New J. Chem.","2016","40","6","5442","","10.1039/C5NJ03514G","","","0.71073","MoKα","","0.0549","0.0344","","","0.0617","0.0654","","","","","","0.852","","","","has coordinates","183724","2020-10-21","18:00:00",""
"7055481","14.054","0.002","14.054","0.002","14.669","0.003","90","","90","","120","","2509.2","0.7","100","2","100","2","","","","","","","","4","P 3 1 c","P 3 -2c","159","","","","- Co2 K7 O112 U24 -","- Co2 K7 O112 U24 -","- Co2 K7 O112 U24 -","1","0.166667","","Zhang, Yingjie; Čejka, Jiří; Lumpkin, Gregory R.; Tran, Toan Trong; Aharonovich, Igor; Karatchevtseva, Inna; Price, Jason R.; Scales, Nicholas; Lu, Kim","Hydrothermal synthesis, structures and properties of two uranyl oxide hydroxyl hydrate phases with Co(ii) or Ni(ii) ions","New J. Chem.","2016","40","6","5357","","10.1039/C5NJ03055B","","","0.7294","Synchrotron","","0.0286","0.0284","","","0.0689","0.069","","","","","","1.13","","","","has coordinates","183726","2020-10-21","18:00:00",""
"7055482","14.042","0.002","14.042","0.002","14.643","0.003","90","","90","","120","","2500.5","0.7","100","2","100","2","","","","","","","","4","P 3 1 c","P 3 -2c","159","","","","- K7 Ni2 O112 U24 -","- K7 Ni2 O112 U24 -","- K7 Ni2 O112 U24 -","1","0.166667","","Zhang, Yingjie; Čejka, Jiří; Lumpkin, Gregory R.; Tran, Toan Trong; Aharonovich, Igor; Karatchevtseva, Inna; Price, Jason R.; Scales, Nicholas; Lu, Kim","Hydrothermal synthesis, structures and properties of two uranyl oxide hydroxyl hydrate phases with Co(ii) or Ni(ii) ions","New J. Chem.","2016","40","6","5357","","10.1039/C5NJ03055B","","","0.7294","Synchrotron","","0.026","0.026","","","0.0637","0.0637","","","","","","1.109","","","","has coordinates","183726","2020-10-21","18:00:00",""
"7055483","6.7527","0.0002","12.1817","0.0004","13.4598","0.0005","70.658","0.001","76.203","0.001","86.532","0.001","1014.35","0.06","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H20 N4 O10 V -","- C16 H20 N4 O10 V -","- C32 H40 N8 O20 V2 -","2","1","","Fernández, Belén; Gómez-Vílchez, Alejandro; Sánchez-González, Cristina; Bayón, Jakelhyne; San Sebastián, Eider; Gómez-Ruiz, Santiago; López-Chaves, Carlos; Aranda, Pilar; Llopis, Juan; Rodríguez-Diéguez, Antonio","Novel anti-diabetic and luminescent coordination compounds based on vanadium","New J. Chem.","2016","40","6","5387","","10.1039/C5NJ02907D","","","0.71073","MoKα","","0.0348","0.0283","","","0.0685","0.0715","","","","","","1.052","","","","has coordinates","183728","2020-10-21","18:00:00",""
"7055484","9.1728","0.0007","23.781","0.002","8.3034","0.0007","90","","93.441","0.001","90","","1808","0.3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H20 N4 O10 V -","- C12 H20 N4 O10 V -","- C48 H80 N16 O40 V4 -","4","1","","Fernández, Belén; Gómez-Vílchez, Alejandro; Sánchez-González, Cristina; Bayón, Jakelhyne; San Sebastián, Eider; Gómez-Ruiz, Santiago; López-Chaves, Carlos; Aranda, Pilar; Llopis, Juan; Rodríguez-Diéguez, Antonio","Novel anti-diabetic and luminescent coordination compounds based on vanadium","New J. Chem.","2016","40","6","5387","","10.1039/C5NJ02907D","","","0.71069","MoKα","","0.0403","0.0342","","","0.0893","0.0932","","","","","","1.068","","","","has coordinates","183728","2020-10-21","18:00:00",""
"7055485","23.9537","0.0005","41.5149","0.0009","23.8634","0.0004","90","","108.316","0.002","90","","22528.4","0.8","150","2","150","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C96 H104 F15 N18.5 O32.5 P2.5 Ru3 Tb -","- C96 H66 F15 N18.5 O32.5 P2.5 Ru3 Tb -","- C768 H528 F120 N148 O260 P20 Ru24 Tb8 -","8","1","","Zhang, Lu-Yin; Li, Kang; Pan, Mei; Fan, Ya-Nan; Wang, Hai-Ping; Su, Cheng-Yong","Observation of cascade f →d →f energy transfer in sensitizing near-infrared (NIR) lanthanide complexes containing the Ru(ii) polypyridine metalloligand","New J. Chem.","2016","40","6","5379","","10.1039/C6NJ00089D","","","1.54178","CuKα","","0.1222","0.0826","","","0.2135","0.2516","","","","","","1.035","","","","has coordinates","183734","2020-10-21","18:00:00",""
"7055486","28.487","0.002","24.612","0.004","12.984","0.005","90","","90","","90","","9103","4","293","2","293","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C60 H112 Cl6 Cu6 N24 O29 -","- C60 H112 Cl6 Cu6 N24 O29 -","- C240 H448 Cl24 Cu24 N96 O116 -","4","0.5","","Pitarch-Jarque, Javier; Belda, Raquel; Blasco, Salvador; Navarro, Pilar; Tejero, Roberto; Junquera-Hernández, José Miguel; Pérez-Mondéjar, Vicente; García-España, Enrique","A water molecule in the interior of a 1H-pyrazole Cu2+metallocage","New J. Chem.","2016","40","7","5670","","10.1039/C5NJ03234B","","","0.71073","MoKα","","0.2355","0.0811","","","0.2095","0.2836","","","","","","0.889","","","","has coordinates,has disorder","185597","2020-10-21","18:00:00",""
"7055487","8.919","0.0003","9.336","0.0004","9.741","0.0003","65.97","0.002","89.173","0.002","70.563","0.002","691.66","0.05","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H38 Cl2 N8 O8 -","- C20 H38 Cl2 N8 O8 -","- C20 H38 Cl2 N8 O8 -","1","0.5","","Pitarch-Jarque, Javier; Belda, Raquel; Blasco, Salvador; Navarro, Pilar; Tejero, Roberto; Junquera-Hernández, José Miguel; Pérez-Mondéjar, Vicente; García-España, Enrique","A water molecule in the interior of a 1H-pyrazole Cu2+metallocage","New J. Chem.","2016","40","7","5670","","10.1039/C5NJ03234B","","","0.71073","MoKα","","0.0644","0.0507","","","0.1291","0.1403","","","","","","1.033","","","","has coordinates,has disorder","185597","2020-10-21","18:00:00",""
"7055488","23.503","0.0007","14.462","0.0004","17.167","0.0004","90","","101.723","0.001","90","","5713.4","0.3","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C40 H70 Cl4 Cu4 N16 O17 -","- C40 H70 Cl4 Cu4 N16 O17 -","- C160 H280 Cl16 Cu16 N64 O68 -","4","0.5","","Pitarch-Jarque, Javier; Belda, Raquel; Blasco, Salvador; Navarro, Pilar; Tejero, Roberto; Junquera-Hernández, José Miguel; Pérez-Mondéjar, Vicente; García-España, Enrique","A water molecule in the interior of a 1H-pyrazole Cu2+metallocage","New J. Chem.","2016","40","7","5670","","10.1039/C5NJ03234B","","","0.71073","MoKα","","0.1107","0.0717","","","0.1991","0.2247","","","","","","1.038","","","","has coordinates,has disorder","185597","2020-10-21","18:00:00",""
"7055489","28.221","0.003","24.265","0.01","12.8478","0.0009","90","","90","","90","","8798","4","120","0.1","120","0.1","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C120 H228 Cl12 Cu12 N48 O61 -","- C120 H228 Cl12 Cu12 N48 O61 -","- C240 H456 Cl24 Cu24 N96 O122 -","2","0.25","","Pitarch-Jarque, Javier; Belda, Raquel; Blasco, Salvador; Navarro, Pilar; Tejero, Roberto; Junquera-Hernández, José Miguel; Pérez-Mondéjar, Vicente; García-España, Enrique","A water molecule in the interior of a 1H-pyrazole Cu2+metallocage","New J. Chem.","2016","40","7","5670","","10.1039/C5NJ03234B","","x-ray","0.71073","MoKα","","0.2546","0.0996","","","0.2376","0.3457","","","","","","1.016","","","","has coordinates,has disorder","185597","2020-10-21","18:00:00",""
"7055490","12.0759","0.0005","14.4835","0.0006","18.6853","0.0008","88.419","0.003","80.246","0.004","70.061","0.004","3026.2","0.2","120","0.1","120","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C40 H76 Cl4 Cu4 N16 O20 -","- C40 H76 Cl4 Cu4 N16 O20 -","- C80 H152 Cl8 Cu8 N32 O40 -","2","1","","Pitarch-Jarque, Javier; Belda, Raquel; Blasco, Salvador; Navarro, Pilar; Tejero, Roberto; Junquera-Hernández, José Miguel; Pérez-Mondéjar, Vicente; García-España, Enrique","A water molecule in the interior of a 1H-pyrazole Cu2+metallocage","New J. Chem.","2016","40","7","5670","","10.1039/C5NJ03234B","","","0.7107","MoKα","","0.0628","0.0475","","","0.1167","0.1309","","","","","","1.045","","","","has coordinates,has disorder","185597","2020-10-21","18:00:00",""
"7055491","15.483","0.003","5.4173","0.001","19.632","0.003","90","","114.484","0.012","90","","1498.6","0.5","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C8 H11 N9 O10 -","- C8 H11 N9 O10 -","- C32 H44 N36 O40 -","4","1","","Wu, Jin-Ting; Zhang, Jian-Guo; Yin, Xin; Wu, Le","Energetic salts based on 3-hydrazino-4-amino-1,2,4-triazole (HATr): synthesis and properties","New J. Chem.","2016","40","6","5414","","10.1039/C6NJ00308G","","","0.71073","MoKα","","0.1109","0.0544","","","0.1211","0.1514","","","","","","1.001","","","","has coordinates","183722","2020-10-21","18:00:00",""
"7055492","8.0048","0.0018","11.527","0.002","13.178","0.002","69.469","0.009","73.214","0.009","80.053","0.01","1086.7","0.4","153","2","153","2","","","","","","","","4","P -1","-P 1","2","","","","- C14 H14 N12 O15 -","- C14 H14 N12 O15 -","- C28 H28 N24 O30 -","2","1","","Wu, Jin-Ting; Zhang, Jian-Guo; Yin, Xin; Wu, Le","Energetic salts based on 3-hydrazino-4-amino-1,2,4-triazole (HATr): synthesis and properties","New J. Chem.","2016","40","6","5414","","10.1039/C6NJ00308G","","","0.71073","MoKα","","0.0833","0.0544","","","0.1486","0.2111","","","","","","1.095","","","","has coordinates","183722","2020-10-21","18:00:00",""
"7055493","7.9601","0.0018","15.917","0.004","7.096","0.0016","90","","106.398","0.003","90","","862.5","0.4","153","2","153","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C2 H8 N8 O6 -","- C2 H8 N8 O6 -","- C8 H32 N32 O24 -","4","1","","Wu, Jin-Ting; Zhang, Jian-Guo; Yin, Xin; Wu, Le","Energetic salts based on 3-hydrazino-4-amino-1,2,4-triazole (HATr): synthesis and properties","New J. Chem.","2016","40","6","5414","","10.1039/C6NJ00308G","","","0.71073","MoKα","","0.0411","0.0342","","","0.0754","0.079","","","","","","1.002","","","","has coordinates","198632","2020-10-21","18:00:00",""
"7055494","12.455","0.004","7.156","0.002","22.215","0.007","90","","103.497","0.004","90","","1925.3","1","153","2","153","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C4 H8 N10 O3 -","- C4 H8 N10 O3 -","- C32 H64 N80 O24 -","8","2","","Wu, Jin-Ting; Zhang, Jian-Guo; Yin, Xin; Wu, Le","Energetic salts based on 3-hydrazino-4-amino-1,2,4-triazole (HATr): synthesis and properties","New J. Chem.","2016","40","6","5414","","10.1039/C6NJ00308G","","","0.71073","MoKα","","0.0812","0.0587","","","0.1455","0.1631","","","","","","0.997","","","","has coordinates","198632","2020-10-21","18:00:00",""
"7055495","7.972","0.0006","8.1923","0.0008","10.269","0.0009","90.378","0.001","110.218","0.002","115.52","0.002","558.28","0.09","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","","","- C4 H8 N16 O2 -","- C4 H8 N16 O2 -","- C8 H16 N32 O4 -","2","1","","Wu, Jin-Ting; Zhang, Jian-Guo; Yin, Xin; Wu, Le","Energetic salts based on 3-hydrazino-4-amino-1,2,4-triazole (HATr): synthesis and properties","New J. Chem.","2016","40","6","5414","","10.1039/C6NJ00308G","","","0.71073","MoKα","","0.1465","0.0996","","","0.279","0.3041","","","","","","1.052","","","","has coordinates","183722","2020-10-21","18:00:00",""
"7055496","15.27","0.004","9.4879","0.0019","33.952","0.006","90","","90","","90","","4919","1.8","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","2-(3-(3-cyano-6-methyl-2-oxo-4-phenylpyridin-1(2H)-yl)propoxy)-4-methyl-6-phenylnicotinonitrile","","- C29 H24 N4 O2 -","- C29 H24 N4 O2 -","- C232 H192 N32 O16 -","8","1","","Rai, Sunil K.; Singh, Praveen; Khanam, Shaziya; Tewari, Ashish K.","Polymorphic study and anti-inflammatory activity of a 3-cyano-2-pyridone based flexible model","New J. Chem.","2016","40","6","5577","","10.1039/C5NJ03683F","","","0.71073","MoKα","","0.1471","0.0786","","","0.1839","0.2383","","","","","","1.027","","","","has coordinates","183727","2020-10-21","18:00:00",""
"7055497","7.2217","0.0006","14.0412","0.0013","24.134","0.002","90","","95.641","0.009","90","","2435.4","0.4","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","2-(3-(3-cyano-6-methyl-2-oxo-4-phenylpyridin-1(2H)-yl)propoxy)-4-methyl-6-phenylnicotinonitrile","","- C29 H24 N4 O2 -","- C29 H24 N4 O2 -","- C116 H96 N16 O8 -","4","1","","Rai, Sunil K.; Singh, Praveen; Khanam, Shaziya; Tewari, Ashish K.","Polymorphic study and anti-inflammatory activity of a 3-cyano-2-pyridone based flexible model","New J. Chem.","2016","40","6","5577","","10.1039/C5NJ03683F","","","0.71073","MoKα","","0.0956","0.0531","","","0.1172","0.1393","","","","","","0.992","","","","has coordinates","183727","2020-10-21","18:00:00",""
"7055498","10.5846","0.0004","7.6098","0.0003","21.9235","0.001","90","","100.651","0.002","90","","1735.44","0.12","291","2","291","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","mono BODIPY of 1,4-di(2-pyridyl)aminophthalazine","","","- C18 H15 B F2 N6 O -","- C18 H15 B F2 N6 O -","- C72 H60 B4 F8 N24 O4 -","4","1","","Vuong, Thi Minh Ha; Weimmerskirch-Aubatin, Jennifer; Lohier, Jean-François; Bar, Nathalie; Boudin, Sophie; Labbé, Christophe; Gourbilleau, Fabrice; Nguyen, Hien; Dang, Tung Thanh; Villemin, Didier","Blue highly fluorescent boron difluoride complexes based on phthalazine‒pyridine","New J. Chem.","2016","40","7","6070","","10.1039/C6NJ00726K","","","0.71073","MoKα","","0.0506","0.0388","","","0.0996","0.1076","","","","","","1.034","","","","has coordinates","185567","2020-10-21","18:00:00",""
"7055499","18.6371","0.0006","7.9394","0.0002","23.778","0.0008","90","","92.779","0.002","90","","3514.23","0.19","115","","115","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C32 H36 Cu N6 O13 P2 -","- C32 H36 Cu N6 O13 P2 -","- C128 H144 Cu4 N24 O52 P8 -","4","1","","Mitrofanov, Alexander Yu.; Rousselin, Yoann; Guilard, Roger; Brandès, Stéphane; Bessmertnykh-Lemeune, Alla G.; Uvarova, Marina A.; Nefedov, Sergey E.","Copper(ii) complexes with phosphorylated 1,10-phenanthrolines: from molecules to infinite supramolecular arrays","New J. Chem.","2016","40","7","5896","","10.1039/C5NJ03572D","","x-ray","0.71073","MoKα","","0.0567","0.0403","","","0.0966","0.1055","","","","","","1.079","","","","has coordinates,has disorder","185579","2020-10-21","18:00:00",""
"7055500","15.6819","0.0007","10.5814","0.0005","25.5715","0.0014","90","","90","","90","","4243.2","0.4","115","","115","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C16 H17 Cu N4 O9 P -","- C16 H17 Cu N4 O9 P -","- C128 H136 Cu8 N32 O72 P8 -","8","1","","Mitrofanov, Alexander Yu.; Rousselin, Yoann; Guilard, Roger; Brandès, Stéphane; Bessmertnykh-Lemeune, Alla G.; Uvarova, Marina A.; Nefedov, Sergey E.","Copper(ii) complexes with phosphorylated 1,10-phenanthrolines: from molecules to infinite supramolecular arrays","New J. Chem.","2016","40","7","5896","","10.1039/C5NJ03572D","","x-ray","0.71073","MoKα","","0.0572","0.0362","","","0.0803","0.0889","","","","","","1.03","","","","has coordinates,has disorder","185579","2020-10-21","18:00:00",""
"7055501","7.7003","0.0006","9.8407","0.0008","17.8602","0.0016","105.813","0.002","92.591","0.003","90.967","0.002","1300.23","0.19","115","","115","","","","","","","","","6","P -1","-P 1","2","","","","- C40 H52 Cu2 N8 O24 P4 -","- C40 H52 Cu2 N8 O24 P4 -","- C40 H52 Cu2 N8 O24 P4 -","1","0.5","","Mitrofanov, Alexander Yu.; Rousselin, Yoann; Guilard, Roger; Brandès, Stéphane; Bessmertnykh-Lemeune, Alla G.; Uvarova, Marina A.; Nefedov, Sergey E.","Copper(ii) complexes with phosphorylated 1,10-phenanthrolines: from molecules to infinite supramolecular arrays","New J. Chem.","2016","40","7","5896","","10.1039/C5NJ03572D","","x-ray","0.71073","MoKα","","0.0471","0.0319","","","0.0792","0.0867","","","","","","1.039","","","","has coordinates","185579","2020-10-21","18:00:00",""
"7055502","9.6399","0.0012","12.1111","0.0014","12.1162","0.0016","77.046","0.006","88.932","0.006","77.832","0.006","1347","0.3","115","","115","","","","","","","","","6","P -1","-P 1","2","","","","- C40 H52 Cu2 N8 O24 P4 -","- C40 H52 Cu2 N8 O24 P4 -","- C40 H52 Cu2 N8 O24 P4 -","1","0.5","","Mitrofanov, Alexander Yu.; Rousselin, Yoann; Guilard, Roger; Brandès, Stéphane; Bessmertnykh-Lemeune, Alla G.; Uvarova, Marina A.; Nefedov, Sergey E.","Copper(ii) complexes with phosphorylated 1,10-phenanthrolines: from molecules to infinite supramolecular arrays","New J. Chem.","2016","40","7","5896","","10.1039/C5NJ03572D","","x-ray","0.71073","MoKα","","0.0495","0.0336","","","0.0756","0.0813","","","","","","1.05","","","","has coordinates","185579","2020-10-21","18:00:00",""
"7055503","16.2508","0.0006","9.204","0.0004","34.9028","0.0015","90","","90","","90","","5220.5","0.4","100","","100","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C20 H26 Cu N4 O12 P2 -","- C20 H26 Cu N4 O12 P2 -","- C160 H208 Cu8 N32 O96 P16 -","8","1","","Mitrofanov, Alexander Yu.; Rousselin, Yoann; Guilard, Roger; Brandès, Stéphane; Bessmertnykh-Lemeune, Alla G.; Uvarova, Marina A.; Nefedov, Sergey E.","Copper(ii) complexes with phosphorylated 1,10-phenanthrolines: from molecules to infinite supramolecular arrays","New J. Chem.","2016","40","7","5896","","10.1039/C5NJ03572D","","x-ray","1.54178","CuKα","","0.1029","0.0994","","","0.2459","0.248","","","","","","1.181","","","","has coordinates,has disorder","185579","2020-10-21","18:00:00",""
"7055504","12.7108","0.0004","22.8673","0.0005","14.7326","0.0003","90","","94.369","0.002","90","","4269.76","0.19","294","2","294","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","di-(μ~2~-2,6-diacetylpyridine bis(3-chloropyridazine-6-hydrazonato))- μ~2~-peroxido-di-cobalt(III)) tetrahydrate","di-(μ~2~-2,6-diacetylpyridine bis(3-chloropyridazine-6-hydrazonato))- μ~2~-peroxido-di-cobalt(III)) tetrahydrate","","- C34 H34 Cl4 Co2 N18 O6 -","- C34 H26 Cl4 Co2 N18 O6 -","- C136 H104 Cl16 Co8 N72 O24 -","4","0.5","","Barta Holló, B.; Magyari, J.; Armaković, S.; Bogdanović, G. A.; Rodić, M. V.; Armaković, S. J.; Molnár, J.; Spengler, G.; Leovac, V. M.; Mészáros Szécsényi, K.","Coordination compounds of a hydrazone derivative with Co(iii), Ni(ii), Cu(ii) and Zn(ii): synthesis, characterization, reactivity assessment and biological evaluation","New J. Chem.","2016","40","7","5885","","10.1039/C6NJ00560H","","","0.71073","MoKα","","0.0548","0.0375","","","0.0934","0.1007","","","","","","1.053","","","","has coordinates","185590","2020-10-21","18:00:00",""
"7055505","32.5727","0.0006","11.6539","0.0003","22.851","0.0005","90","","92.546","0.002","90","","8665.7","0.3","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","5a","","- C39 H68 Fe N12 P4 -","- C39 H68 Fe N12 P4 -","- C312 H544 Fe8 N96 P32 -","8","1","","Okumuş, Aytuğ; Elmas, Gamze; Cemaloğlu, Reşit; Aydın, Betül; Binici, Arzu; Şimşek, Hülya; Açık, Leyla; Türk, Mustafa; Güzel, Remziye; Kılıç, Zeynel; Hökelek, Tuncer","Phosphorus‒nitrogen compounds. Part 35. Syntheses, spectroscopic and electrochemical properties, and antituberculosis, antimicrobial and cytotoxic activities of mono-ferrocenyl-spirocyclotetraphosphazenes","New J. Chem.","2016","40","6","5588","","10.1039/C6NJ00204H","","","0.71073","MoKα","","0.0478","0.039","","","0.0942","0.0995","","","","","","1.037","","","","has coordinates","183736","2020-10-21","18:00:00",""
"7055506","33.4714","0.0006","11.0459","0.0003","23.2196","0.0004","90","","94.801","0.002","90","","8554.7","0.3","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","4a","","- C38 H66 Fe N12 P4 -","- C38 H66 Fe N12 P4 -","- C304 H528 Fe8 N96 P32 -","8","1","","Okumuş, Aytuğ; Elmas, Gamze; Cemaloğlu, Reşit; Aydın, Betül; Binici, Arzu; Şimşek, Hülya; Açık, Leyla; Türk, Mustafa; Güzel, Remziye; Kılıç, Zeynel; Hökelek, Tuncer","Phosphorus‒nitrogen compounds. Part 35. Syntheses, spectroscopic and electrochemical properties, and antituberculosis, antimicrobial and cytotoxic activities of mono-ferrocenyl-spirocyclotetraphosphazenes","New J. Chem.","2016","40","6","5588","","10.1039/C6NJ00204H","","","0.71073","MoKα","","0.0797","0.0624","","","0.1612","0.1751","","","","","","1.031","","","","has coordinates","183736","2020-10-21","18:00:00",""
"7055507","8.2316","0.0005","9.5937","0.0005","12.7855","0.0007","93.595","0.004","102.892","0.005","96.844","0.004","973.06","0.1","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","1-(3,5-dinitropyrazol-1-yl)-2-nitrazapropane","","- C5 H6 N6 O6 -","- C5 H6 N6 O6 -","- C20 H24 N24 O24 -","4","2","","Klapötke, Thomas M.; Penger, Alexander; Pflüger, Carolin; Stierstorfer, Jörg","Melt-cast materials: combining the advantages of highly nitrated azoles and open-chain nitramines","New J. Chem.","2016","40","7","6059","","10.1039/C6NJ00202A","","","0.71073","MoKα","","0.048","0.0316","","","0.0755","0.0797","","","","","","0.943","","","","has coordinates","185599","2020-10-21","18:00:00",""
"7055508","17.1342","0.0016","9.368","0.0008","12.5388","0.0012","90","","107.4","0.01","90","","1920.5","0.3","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1-(3,4-dinitropyrazol-1-yl)-2-nitrazapropane","","- C5 H6 N6 O6 -","- C5 H6 N6 O6 -","- C40 H48 N48 O48 -","8","2","","Klapötke, Thomas M.; Penger, Alexander; Pflüger, Carolin; Stierstorfer, Jörg","Melt-cast materials: combining the advantages of highly nitrated azoles and open-chain nitramines","New J. Chem.","2016","40","7","6059","","10.1039/C6NJ00202A","","","0.71069","MoKα","","0.1104","0.0375","","","0.0492","0.0575","","","","","","0.728","","","","has coordinates","185599","2020-10-21","18:00:00",""
"7055509","8.5617","0.0009","9.3986","0.0009","9.7876","0.001","113.277","0.009","106.073","0.009","92.266","0.008","685.23","0.14","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","1-(3,4,4'-Trinitro-1,3'-bipyrazol-2'-yl)-2-nitrazapropane","","- C8 H7 N9 O8 -","- C8 H7 N9 O8 -","- C16 H14 N18 O16 -","2","1","","Klapötke, Thomas M.; Penger, Alexander; Pflüger, Carolin; Stierstorfer, Jörg","Melt-cast materials: combining the advantages of highly nitrated azoles and open-chain nitramines","New J. Chem.","2016","40","7","6059","","10.1039/C6NJ00202A","","","0.71073","MoKα","","0.068","0.0356","","","0.064","0.0696","","","","","","0.822","","","","has coordinates","185599","2020-10-21","18:00:00",""
"7055510","5.6441","0.0006","12.082","0.0012","15.3446","0.0015","90","","98.068","0.01","90","","1036.02","0.18","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","1-(5-chloro-3,4-dinitropyrazol-1-yl)-2-nitrazapropane","","- C5 H5 Cl N6 O6 -","- C5 H5 Cl N6 O6 -","- C20 H20 Cl4 N24 O24 -","4","1","","Klapötke, Thomas M.; Penger, Alexander; Pflüger, Carolin; Stierstorfer, Jörg","Melt-cast materials: combining the advantages of highly nitrated azoles and open-chain nitramines","New J. Chem.","2016","40","7","6059","","10.1039/C6NJ00202A","","","0.71073","MoKα","","0.0647","0.0335","","","0.0669","0.0723","","","","","","0.849","","","","has coordinates","185599","2020-10-21","18:00:00",""
"7055511","6.3027","0.0008","6.8628","0.0008","10.6253","0.0014","72.876","0.011","87.968","0.011","77.54","0.011","428.68","0.1","173","2","173","2","","","","","","","","4","P -1","-P 1","2","ANTAnap","1-(5-amino-3-nitro-1,2,4-triazol-1-yl)-2-nitrazapropane","","- C4 H7 N7 O4 -","- C4 H7 N7 O4 -","- C8 H14 N14 O8 -","2","1","","Klapötke, Thomas M.; Penger, Alexander; Pflüger, Carolin; Stierstorfer, Jörg","Melt-cast materials: combining the advantages of highly nitrated azoles and open-chain nitramines","New J. Chem.","2016","40","7","6059","","10.1039/C6NJ00202A","","","0.71073","MoKα","","0.0466","0.0332","","","0.0755","0.0839","","","","","","1.073","","","","has coordinates","185599","2020-10-21","18:00:00",""
"7055512","17.5192","0.0017","6.4082","0.0006","14.2","0.0014","90","","99.184","0.009","90","","1573.7","0.3","173","2","173","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","DNBTdinap","5,5-bis(1-(2-aza-2-nitropropanyl)-3-nitro-1,2,4-triazole","","- C8 H10 N12 O8 -","- C8 H10 N12 O8 -","- C32 H40 N48 O32 -","4","0.5","","Klapötke, Thomas M.; Penger, Alexander; Pflüger, Carolin; Stierstorfer, Jörg","Melt-cast materials: combining the advantages of highly nitrated azoles and open-chain nitramines","New J. Chem.","2016","40","7","6059","","10.1039/C6NJ00202A","","","0.71073","MoKα","","0.0627","0.0411","","","0.0895","0.1022","","","","","","1.043","","","","has coordinates","185599","2020-10-21","18:00:00",""
"7055513","15.9508","0.0016","5.6426","0.0007","10.6832","0.0011","90","","97.579","0.009","90","","953.13","0.18","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1-(4-amino-3,5-dinitropyrazol-1-yl)-2-nitrazapropane","","- C5 H7 N7 O6 -","- C5 H7 N7 O6 -","- C20 H28 N28 O24 -","4","1","","Klapötke, Thomas M.; Penger, Alexander; Pflüger, Carolin; Stierstorfer, Jörg","Melt-cast materials: combining the advantages of highly nitrated azoles and open-chain nitramines","New J. Chem.","2016","40","7","6059","","10.1039/C6NJ00202A","","","0.71073","MoKα","","0.0591","0.0433","","","0.0946","0.1081","","","","","","1.104","","","","has coordinates","185599","2020-10-21","18:00:00",""
"7055514","15.831","0.004","7.0572","0.0007","11.133","0.003","90","","132.07","0.04","90","","923.3","0.7","173","2","173","2","","","","","","","","4","C 1 c 1","C -2yc","9","","1-(3,5-Dinitro-1,2,4-triazol-1-yl)-2-nitrazapropane","","- C4 H5 N7 O6 -","- C4 H5 N7 O6 -","- C16 H20 N28 O24 -","4","1","","Klapötke, Thomas M.; Penger, Alexander; Pflüger, Carolin; Stierstorfer, Jörg","Melt-cast materials: combining the advantages of highly nitrated azoles and open-chain nitramines","New J. Chem.","2016","40","7","6059","","10.1039/C6NJ00202A","","","0.71069","MoKα","","0.0472","0.0306","","","0.0515","0.0547","","","","","","0.895","","","","has coordinates","185599","2020-10-21","18:00:00",""
"7055515","5.7787","0.0008","20.764","0.003","7.719","0.0011","90","","92.393","0.012","90","","925.4","0.2","173","2","173","2","","","","","","","","4","C 1 c 1","C -2yc","9","","1-(4,5-dinitroimidazol-1-yl)-2-nitrazapropane","","- C5 H6 N6 O6 -","- C5 H6 N6 O6 -","- C20 H24 N24 O24 -","4","1","","Klapötke, Thomas M.; Penger, Alexander; Pflüger, Carolin; Stierstorfer, Jörg","Melt-cast materials: combining the advantages of highly nitrated azoles and open-chain nitramines","New J. Chem.","2016","40","7","6059","","10.1039/C6NJ00202A","","","0.71069","MoKα","","0.0653","0.0388","","","0.0782","0.0834","","","","","","0.861","","","","has coordinates","185599","2020-10-21","18:00:00",""
"7055516","11.4913","0.0012","6.9525","0.0005","12.8652","0.0011","90","","113.537","0.01","90","","942.33","0.16","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1-(2,4-dinitroimidazol-1-yl)-2-nitrazapropane","","- C5 H6 N6 O6 -","- C5 H6 N6 O6 -","- C20 H24 N24 O24 -","4","1","","Klapötke, Thomas M.; Penger, Alexander; Pflüger, Carolin; Stierstorfer, Jörg","Melt-cast materials: combining the advantages of highly nitrated azoles and open-chain nitramines","New J. Chem.","2016","40","7","6059","","10.1039/C6NJ00202A","","","0.71073","MoKα","","0.0635","0.0322","","","0.063","0.068","","","","","","0.835","","","","has coordinates","185599","2020-10-21","18:00:00",""
"7055517","10.828","0.002","5.5849","0.0011","12.363","0.003","90","","107.59","0.03","90","","712.7","0.3","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","","2,4-bis(methyl(nitro)amino)methyl)-3-nitro-1,2,4-triazol-5-one","","- C6 H11 N9 O10 -","- C6 H11 N9 O10 -","- C12 H22 N18 O20 -","2","1","","Klapötke, Thomas M.; Penger, Alexander; Pflüger, Carolin; Stierstorfer, Jörg","Melt-cast materials: combining the advantages of highly nitrated azoles and open-chain nitramines","New J. Chem.","2016","40","7","6059","","10.1039/C6NJ00202A","","","0.71073","MoKα","","0.0529","0.0349","","","0.0577","0.0611","","","","","","0.865","","","","has coordinates","185599","2020-10-21","18:00:00",""
"7055518","6.761","0.0006","5.5064","0.0006","11.3925","0.001","90","","97.072","0.009","90","","420.9","0.07","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","","1-(3-nitro-1H-1,2,4-triazol-5-on-4-yl)-2-nitrazapropane","","- C4 H6 N6 O5 -","- C4 H6 N6 O5 -","- C8 H12 N12 O10 -","2","1","","Klapötke, Thomas M.; Penger, Alexander; Pflüger, Carolin; Stierstorfer, Jörg","Melt-cast materials: combining the advantages of highly nitrated azoles and open-chain nitramines","New J. Chem.","2016","40","7","6059","","10.1039/C6NJ00202A","","","0.71073","MoKα","","0.0567","0.0344","","","0.0488","0.0527","","","","","","0.84","","","","has coordinates","185599","2020-10-21","18:00:00",""
"7055519","11.1967","0.0004","11.1967","0.0004","44.0828","0.0016","90","","90","","120","","4786.1","0.3","273","","273","","","","","","","","","5","P 65 2 2","P 65 2 (0 0 1)","179","","","","- C36.5 H29.5 N3 O7 Zn -","- C36.5 H29.5 N3 O7 Zn -","- C219 H177 N18 O42 Zn6 -","6","0.5","","Tanaka, Koichi; Hotta, Naoki; Nagase, Shohei; Yoza, Kenji","Efficient HPLC enantiomer separation using a pillared homochiral metal‒organic framework as a novel chiral stationary phase","New J. Chem.","2016","40","6","4891","","10.1039/C6NJ00090H","","","1.54178","CuKα","","0.0271","0.0269","","","0.073","0.0731","","","","","","1.106","","","","has coordinates,has disorder","183741","2020-10-21","18:00:00",""
"7055520","21.9801","0.001","13.6765","0.0006","25.5651","0.0011","90","","102.217","0.002","90","","7511.1","0.6","93","","93","","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C72 H53 N5 O13 Zn2 -","- C72 H53 N5 O13 Zn2 -","- C288 H212 N20 O52 Zn8 -","4","1","","Tanaka, Koichi; Hotta, Naoki; Nagase, Shohei; Yoza, Kenji","Efficient HPLC enantiomer separation using a pillared homochiral metal‒organic framework as a novel chiral stationary phase","New J. Chem.","2016","40","6","4891","","10.1039/C6NJ00090H","","","1.54178","CuKα","","0.0374","0.0353","","","0.089","0.0902","","","","","","1.039","","","","has coordinates,has disorder","183741","2020-10-21","18:00:00",""
"7055521","16.9299","0.0006","14.845","0.0008","19.6945","0.0008","90","","90","","90","","4949.7","0.4","291","2","291.15","","","","","","","","","5","C m c m","-C 2c 2","63","","","","- C36 H40 Cu4 I8 N8 -","- C36 H40 Cu4 I8 N8 -","- C144 H160 Cu16 I32 N32 -","4","0.25","","Xu, Man-Man; Li, Yao; Zheng, Lin-Jie; Niu, Yun-Yin; Hou, Hong-Wei","Three cation-templated Cu(i) self-assemblies: synthesis, structures, and photocatalytic properties","New J. Chem.","2016","40","7","6086","","10.1039/C5NJ03321G","","","0.71073","MoKα","","0.074","0.0569","","","0.1578","0.1712","","","","","","1.054","","","","has coordinates,has disorder","185573","2020-10-21","18:00:00",""
"7055522","10.8207","0.0006","12.6826","0.0006","9.658","0.0005","90","","108.391","0.006","90","","1257.72","0.12","291","2","291.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C11 H10 Cu N4 S2 -","- C11 H10 Cu N4 S2 -","- C44 H40 Cu4 N16 S8 -","4","1","","Xu, Man-Man; Li, Yao; Zheng, Lin-Jie; Niu, Yun-Yin; Hou, Hong-Wei","Three cation-templated Cu(i) self-assemblies: synthesis, structures, and photocatalytic properties","New J. Chem.","2016","40","7","6086","","10.1039/C5NJ03321G","","","0.71073","MoKα","","0.052","0.0369","","","0.0756","0.0831","","","","","","1.024","","","","has coordinates","185573","2020-10-21","18:00:00",""
"7055523","13.7812","0.0013","7.501","0.0008","15.1787","0.0014","90","","99.598","0.001","90","","1547.1","0.3","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C28 H22 N2 O18 U2 -","- C28 H22 N2 O18 U2 -","- C56 H44 N4 O36 U4 -","2","0.5","","Gao, Xue; Song, Jian; Sun, Li Xian; Xing, Yong Heng; Bai, Feng Ying; Shi, Zhan","A family of uranium‒carboxylic acid hybrid materials: synthesis, structure and mixed-dye selective adsorption","New J. Chem.","2016","40","7","6077","","10.1039/C6NJ00109B","","","0.71073","MoKα","","0.0215","0.0181","","","0.0425","0.0434","","","","","","1.061","","","","has coordinates","185578","2020-10-21","18:00:00",""
"7055524","5.6911","0.0005","7.4024","0.0006","9.8667","0.0008","106.561","0.001","105.897","0.001","99.948","0.001","368.73","0.05","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C12 H12 N2 O8 U -","- C12 H12 N2 O8 U -","- C12 H12 N2 O8 U -","1","0.5","","Gao, Xue; Song, Jian; Sun, Li Xian; Xing, Yong Heng; Bai, Feng Ying; Shi, Zhan","A family of uranium‒carboxylic acid hybrid materials: synthesis, structure and mixed-dye selective adsorption","New J. Chem.","2016","40","7","6077","","10.1039/C6NJ00109B","","","0.71073","MoKα","","0.0167","0.0167","","","0.0431","0.0431","","","","","","1.067","","","","has coordinates","185578","2020-10-21","18:00:00",""
"7055525","20.379","0.003","11.7334","0.0018","12.529","0.002","90","","103.34","0.002","90","","2915","0.8","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C29 H29 N O8 U -","- C29 H29 N O8 U -","- C116 H116 N4 O32 U4 -","4","1","","Gao, Xue; Song, Jian; Sun, Li Xian; Xing, Yong Heng; Bai, Feng Ying; Shi, Zhan","A family of uranium‒carboxylic acid hybrid materials: synthesis, structure and mixed-dye selective adsorption","New J. Chem.","2016","40","7","6077","","10.1039/C6NJ00109B","","","0.71073","MoKα","","0.0765","0.0396","","","0.0773","0.0859","","","","","","0.909","","","","has coordinates","185578","2020-10-21","18:00:00",""
"7055526","5.5561","0.0004","15.252","0.0011","13.3506","0.0009","90","","93.974","0.001","90","","1128.63","0.14","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C2 H6 O13 U2 -","- C2 H6 O13 U2 -","- C8 H24 O52 U8 -","4","1","","Gao, Xue; Song, Jian; Sun, Li Xian; Xing, Yong Heng; Bai, Feng Ying; Shi, Zhan","A family of uranium‒carboxylic acid hybrid materials: synthesis, structure and mixed-dye selective adsorption","New J. Chem.","2016","40","7","6077","","10.1039/C6NJ00109B","","","0.71073","MoKα","","0.0318","0.0269","","","0.063","0.0649","","","","","","1.109","","","","has coordinates","185578","2020-10-21","18:00:00",""
"7055527","10.9314","0.0001","13.1412","0.0002","18.7929","0.0003","90","","117.028","0.001","90","","2404.79","0.06","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H22 N3 O4 Rh -","- C28 H22 N3 O4 Rh -","- C112 H88 N12 O16 Rh4 -","4","1","","Zhang, Hai-Rong; Liu, Yan-Cheng; Chen, Zhen-Feng; Meng, Ting; Zou, Bi-Qun; Liu, You-Nian; Liang, Hong","Studies on the structures, cytotoxicity and apoptosis mechanism of 8-hydroxylquinoline rhodium(iii) complexes in T-24 cells","New J. Chem.","2016","40","7","6005","","10.1039/C6NJ00182C","","","0.7107","MoKα","","0.0353","0.0288","","","0.0652","0.0685","","","","","","1.037","","","","has coordinates","185585","2020-10-21","18:00:00",""
"7055528","8.0116","0.0006","11.7397","0.001","12.2484","0.0007","78.326","0.006","88.221","0.005","89.46","0.006","1127.63","0.15","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C19 H14 Br2 Cl N2 O4 Rh -","- C19 H14 Br2 Cl N2 O4 Rh -","- C38 H28 Br4 Cl2 N4 O8 Rh2 -","2","1","","Zhang, Hai-Rong; Liu, Yan-Cheng; Chen, Zhen-Feng; Meng, Ting; Zou, Bi-Qun; Liu, You-Nian; Liang, Hong","Studies on the structures, cytotoxicity and apoptosis mechanism of 8-hydroxylquinoline rhodium(iii) complexes in T-24 cells","New J. Chem.","2016","40","7","6005","","10.1039/C6NJ00182C","","","0.7107","MoKα","","0.0549","0.0442","","","0.1156","0.1228","","","","","","1.059","","","","has coordinates,has disorder","185585","2020-10-21","18:00:00",""
"7055529","10.4051","0.0018","17.875","0.003","17.596","0.003","90","","104.341","0.002","90","","3170.7","0.9","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","IPrTaCl5","","","- C27 H36 Cl5 N2 Ta -","- C27 H36 Cl5 N2 Ta -","- C108 H144 Cl20 N8 Ta4 -","4","1","","Wei, ZhenHong; Zhang, Wenbiao; Luo, Guangming; Xu, Feng; Mei, YingXuan; Cai, Hu","Mono- and bis-N-heterocyclic carbene complexes of tantalum and niobium with high oxidation states","New J. Chem.","2016","40","7","6270","","10.1039/C6NJ00223D","","","0.71073","MoKα","","0.0568","0.0377","","","0.098","0.1053","","","","","","1.069","","","","has coordinates","185571","2020-10-21","18:00:00",""
"7055530","13.8499","0.001","15.0205","0.001","16.9789","0.0011","66.765","0.003","86.819","0.004","71.851","0.003","3075","0.4","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C46 H56 Cl18 N4 Nb2 -","- C46 H56 Cl18 N4 Nb2 -","- C92 H112 Cl36 N8 Nb4 -","2","1","","Wei, ZhenHong; Zhang, Wenbiao; Luo, Guangming; Xu, Feng; Mei, YingXuan; Cai, Hu","Mono- and bis-N-heterocyclic carbene complexes of tantalum and niobium with high oxidation states","New J. Chem.","2016","40","7","6270","","10.1039/C6NJ00223D","","","0.71073","MoKα","","0.0802","0.06","","","0.1252","0.1417","","","","","","1.072","","","","has coordinates,has disorder","185571","2020-10-21","18:00:00",""
"7055531","13.87","0.002","15.029","0.002","17.015","0.003","66.68","0.002","86.872","0.002","71.673","0.002","3081.9","0.8","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C46 H56 Cl18 N4 Ta2 -","- C46 H56 Cl18 N4 Ta2 -","- C92 H112 Cl36 N8 Ta4 -","2","1","","Wei, ZhenHong; Zhang, Wenbiao; Luo, Guangming; Xu, Feng; Mei, YingXuan; Cai, Hu","Mono- and bis-N-heterocyclic carbene complexes of tantalum and niobium with high oxidation states","New J. Chem.","2016","40","7","6270","","10.1039/C6NJ00223D","","","0.71073","MoKα","","0.0584","0.0454","","","0.1064","0.1165","","","","","","1.08","","","","has coordinates","185571","2020-10-21","18:00:00",""
"7055532","8.3421","0.0006","13.3327","0.001","16.7969","0.0012","90","","90","","90","","1868.2","0.2","170","2","170","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C17 H25 N O5 S Si -","- C17 H25 N O5 S Si -","- C68 H100 N4 O20 S4 Si4 -","4","1","","Singh, Gurjaspreet; Rani, Sunita; Arora, Aanchal; Aulakh, Darpandeep; Wriedt, Mario","Thioester-appended organosilatranes: synthetic investigations and application in the modification of magnetic silica surfaces","New J. Chem.","2016","40","7","6200","","10.1039/C6NJ00011H","","","0.71073","MoKα","","0.0405","0.0373","","","0.0975","0.1007","","","","","","1.039","","","","has coordinates,has disorder","185588","2020-10-21","18:00:00",""
"7055533","7.2068","0.0002","8.9671","0.0003","16.5006","0.0006","90","","93.343","0.001","90","","1064.52","0.06","170","2","170","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C22 H27 N O4 S Si -","- C22 H27 N O4 S Si -","- C44 H54 N2 O8 S2 Si2 -","2","1","","Singh, Gurjaspreet; Rani, Sunita; Arora, Aanchal; Aulakh, Darpandeep; Wriedt, Mario","Thioester-appended organosilatranes: synthetic investigations and application in the modification of magnetic silica surfaces","New J. Chem.","2016","40","7","6200","","10.1039/C6NJ00011H","","","0.71073","MoKα","","0.0313","0.0287","","","0.0713","0.0726","","","","","","1.037","","","","has coordinates","185588","2020-10-21","18:00:00",""
"7055534","16.5717","0.001","22.3081","0.0013","11.7698","0.0007","90","","99.701","0.004","90","","4288.9","0.4","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C28 H20 B N5 -","- C28 H20 B N5 -","- C224 H160 B8 N40 -","8","2","","Crandall, Laura A.; Rhoda, Hannah M.; Nemykin, Victor N.; Ziegler, Christopher J.","Boron templated synthesis of a BODIPY analogue from a phthalocyanine precursor","New J. Chem.","2016","40","7","5675","","10.1039/C6NJ00085A","","","1.54178","CuKα","","0.0563","0.0403","","","0.0898","0.0993","","","","","","0.962","","","","has coordinates","185564","2020-10-21","18:00:00",""
"7055535","8.8161","0.0005","10.6099","0.0006","13.5285","0.0008","78.972","0.002","86.357","0.003","84.524","0.003","1235.06","0.12","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C29 H21 B Cl2 N4 O -","- C29 H21 B Cl2 N4 O -","- C58 H42 B2 Cl4 N8 O2 -","2","1","","Crandall, Laura A.; Rhoda, Hannah M.; Nemykin, Victor N.; Ziegler, Christopher J.","Boron templated synthesis of a BODIPY analogue from a phthalocyanine precursor","New J. Chem.","2016","40","7","5675","","10.1039/C6NJ00085A","","","0.71073","MoKα","","0.1833","0.0509","","","0.1268","0.1401","","","","","","1.125","","","","has coordinates,has disorder","185564","2020-10-21","18:00:00",""
"7055536","8.7931","0.0011","10.5963","0.0013","13.5308","0.0018","78.771","0.005","86.503","0.006","84.592","0.006","1229.9","0.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C29 H20 B Cl2 N3 O2 -","- C29 H20 B Cl2 N3 O2 -","- C58 H40 B2 Cl4 N6 O4 -","2","1","","Crandall, Laura A.; Rhoda, Hannah M.; Nemykin, Victor N.; Ziegler, Christopher J.","Boron templated synthesis of a BODIPY analogue from a phthalocyanine precursor","New J. Chem.","2016","40","7","5675","","10.1039/C6NJ00085A","","","0.71073","MoKα","","0.0734","0.0572","","","0.1466","0.1611","","","","","","1.08","","","","has coordinates","185564","2020-10-21","18:00:00",""
"7055537","11.2845","0.0008","11.5944","0.0008","12.0744","0.0009","90","","114.97","0.009","90","","1432.1","0.2","290.8","0.1","290.8","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","4-arylidene-5-imidazolinone","","- C17 H14 N2 O2 -","- C17 H14 N2 O2 -","- C68 H56 N8 O8 -","4","1","","Singh, Thokchom Prasanta; Shunmugam, Raja","PCl3-mediated synthesis of green/cyan fluorescent protein chromophores using amino acids","New J. Chem.","2016","40","4","3024","","10.1039/C5NJ03144C","","x-ray","0.71073","MoKα","","0.0772","0.0598","","","0.1489","0.1637","","","","","","1.05","","","","has coordinates","182591","2020-10-21","18:00:00",""
"7055538","7.8357","0.0009","9.7387","0.0011","11.0588","0.0012","115.506","0.002","92.671","0.002","96.763","0.002","751.88","0.15","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C13 H11 Au Cl3 N3 -","- C13 H11 Au Cl3 N3 -","- C26 H22 Au2 Cl6 N6 -","2","1","","Nandy, Abhishek; Samanta, Tapastaru; Mallick, Sumana; Mitra, Partha; Seth, Saikat Kumar; Saha, Krishna Das; Al-Deyab, Salem S.; Dinda, Joydev","Synthesis of gold(iii) ←gold(i)‒NHC through disproportionation: the role of gold(i)‒NHC in the induction of apoptosis in HepG2 cells","New J. Chem.","2016","40","7","6289","","10.1039/C5NJ02979A","","","0.71073","MoKα","","0.0345","0.0269","","","0.0487","0.0508","","","","","","1.038","","","","has coordinates","185595","2020-10-21","18:00:00",""
"7055539","7.6118","0.001","19.781","0.003","18.635","0.002","90","","90.601","0.003","90","","2805.7","0.6","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C28 H25 Au F6 N7 P -","- C28 H25 Au F6 N7 P -","- C112 H100 Au4 F24 N28 P4 -","4","1","","Nandy, Abhishek; Samanta, Tapastaru; Mallick, Sumana; Mitra, Partha; Seth, Saikat Kumar; Saha, Krishna Das; Al-Deyab, Salem S.; Dinda, Joydev","Synthesis of gold(iii) ←gold(i)‒NHC through disproportionation: the role of gold(i)‒NHC in the induction of apoptosis in HepG2 cells","New J. Chem.","2016","40","7","6289","","10.1039/C5NJ02979A","","","0.71073","MoKα","","0.0734","0.0394","","","0.0788","0.0899","","","","","","1.057","","","","has coordinates","185595","2020-10-21","18:00:00",""
"7055540","4.3231","0.0016","9.305","0.004","19.116","0.007","87.056","0.01","86.072","0.01","79.91","0.01","754.7","0.5","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C13 H12 Au Cl3 N3 -","- C13 H12 Au Cl3 N3 -","- C26 H24 Au2 Cl6 N6 -","2","1","","Nandy, Abhishek; Samanta, Tapastaru; Mallick, Sumana; Mitra, Partha; Seth, Saikat Kumar; Saha, Krishna Das; Al-Deyab, Salem S.; Dinda, Joydev","Synthesis of gold(iii) ←gold(i)‒NHC through disproportionation: the role of gold(i)‒NHC in the induction of apoptosis in HepG2 cells","New J. Chem.","2016","40","7","6289","","10.1039/C5NJ02979A","","","0.71073","MoKα","","0.0527","0.028","","","0.0602","0.0679","","","","","","0.997","","","","has coordinates","185595","2020-10-21","18:00:00",""
"7055541","16.837","0.002","19.023","0.0016","19.862","0.003","115.622","0.011","101.572","0.012","90.31","0.009","5588.8","1.3","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C34 H27 Cl Cu N2 P -","- C34 H27 Cl Cu N2 P -","- C272 H216 Cl8 Cu8 N16 P8 -","8","4","","Safin, Damir A.; Vande Velde, Christophe M. L.; Babashkina, Maria G.; Robeyns, Koen; Filinchuk, Yaroslav","Mononuclear heteroleptic complexes of copper(i) with 5-phenyl-2,2′-bipyridine and triphenylphosphine: crystal structures, Hirshfeld surface analysis and luminescence properties","New J. Chem.","2016","40","7","6156","","10.1039/C6NJ00833J","","","0.71073","MoKα","","0.0746","0.0545","","","0.1353","0.1435","","","","","","1.044","","","","has coordinates","185568","2020-10-21","18:00:00",""
"7055542","9.5272","0.0003","18.5794","0.0006","32.0159","0.0014","90","","90","","90","","5667.1","0.4","150","2","150","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C34 H27 Br Cu N2 P -","- C34 H27 Br Cu N2 P -","- C272 H216 Br8 Cu8 N16 P8 -","8","1","","Safin, Damir A.; Vande Velde, Christophe M. L.; Babashkina, Maria G.; Robeyns, Koen; Filinchuk, Yaroslav","Mononuclear heteroleptic complexes of copper(i) with 5-phenyl-2,2′-bipyridine and triphenylphosphine: crystal structures, Hirshfeld surface analysis and luminescence properties","New J. Chem.","2016","40","7","6156","","10.1039/C6NJ00833J","","","0.71073","MoKα","","0.0604","0.0407","","","0.0763","0.0827","","","","","","1.064","","","","has coordinates","185568","2020-10-21","18:00:00",""
"7055543","11.8421","0.0004","25.8186","0.001","15.2975","0.0006","90","","98.783","0.002","90","","4622.3","0.3","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C49 H55 Cl Co2 N4 O11 -","- C49 H55 Cl Co2 N4 O11 -","- C196 H220 Cl4 Co8 N16 O44 -","4","1","","Davila, Ruben; Farias, Nicolas; Carolina Sañudo, E.; Vega, Andrés; Escuer, Albert; Soler, Mónica; Manzur, Jorge","Dinuclear cobalt(iii) and mixed valence trinuclear MnIII‒MnII‒MnIIIcomplexes with a tripodal bridging pyridylaminophenol ligand","New J. Chem.","2016","40","7","6164","","10.1039/C5NJ03670D","","","0.71073","MoKα","","0.0895","0.0534","","","0.1394","0.1754","","","","","","1.102","","","","has coordinates","185581","2020-10-21","18:00:00",""
"7055544","11.829","0.004","12.643","0.004","21.233","0.006","78.054","0.013","89.491","0.013","64.271","0.011","2786.9","1.5","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C58 H76 Mn3 N4 O12 -","- C50 H56 Mn3 N4 O10 -","- C100 H112 Mn6 N8 O20 -","2","1","","Davila, Ruben; Farias, Nicolas; Carolina Sañudo, E.; Vega, Andrés; Escuer, Albert; Soler, Mónica; Manzur, Jorge","Dinuclear cobalt(iii) and mixed valence trinuclear MnIII‒MnII‒MnIIIcomplexes with a tripodal bridging pyridylaminophenol ligand","New J. Chem.","2016","40","7","6164","","10.1039/C5NJ03670D","","","0.71073","MoKα","","0.1705","0.1307","","","0.3185","0.3482","","","","","","1.06","","","","has coordinates","185581","2020-10-21","18:00:00",""
"7055545","26.143","0.003","25.5375","0.0012","16.485","0.0016","90","","90","","90","","11005.8","1.7","150","2","150","2","","","","","","","synthesis as described","6","P n m a","-P 2ac 2n","62","","","","- C61 H53 F6 O2 P3 Ru -","- C61 H53 F6 O2 P3 Ru -","- C488 H424 F48 O16 P24 Ru8 -","8","1","","Spörler, Susanne; Strinitz, Frank; Rodehutskors, Philipp; Müller, Lisa; Waterloo, Andreas R.; Dürr, Maximilian; Hübner, Eike; Ivanović-Burmazović, Ivana; Tykwinski, Rik R.; Burzlaff, Nicolai","Carbon-rich cyclopentadienyl ruthenium allenylidene complexes","New J. Chem.","2016","40","7","6127","","10.1039/C5NJ03556B","","x-ray","0.71073","MoKα","","0.083","0.0599","","","0.1745","0.1953","","","","","","1.099","","","","has coordinates","185586","2020-10-21","18:00:00",""
"7055546","10.0465","0.0008","15.395","0.0012","20.6856","0.0018","73.3","0.006","84.013","0.006","75.746","0.007","2968.1","0.4","150","2","150","2","","","","","","","synthesis as described","6","P -1","-P 1","2","","","","- C72 H63 F6 O3 P3 Ru -","- C72 H63 F6 O3 P3 Ru -","- C144 H126 F12 O6 P6 Ru2 -","2","1","","Spörler, Susanne; Strinitz, Frank; Rodehutskors, Philipp; Müller, Lisa; Waterloo, Andreas R.; Dürr, Maximilian; Hübner, Eike; Ivanović-Burmazović, Ivana; Tykwinski, Rik R.; Burzlaff, Nicolai","Carbon-rich cyclopentadienyl ruthenium allenylidene complexes","New J. Chem.","2016","40","7","6127","","10.1039/C5NJ03556B","","x-ray","0.71073","MoKα","","0.0984","0.0731","","","0.2016","0.241","","","","","","1.044","","","","has coordinates","185586","2020-10-21","18:00:00",""
"7055547","20.6123","0.0006","22.6218","0.0006","25.5409","0.0007","90","","105.389","0.003","90","","11482.4","0.6","100","","100","","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C63 H47 Cl2 F6 P3 Ru -","- C63 H47 Cl2 F6 P3 Ru -","- C504 H376 Cl16 F48 P24 Ru8 -","8","1","","Spörler, Susanne; Strinitz, Frank; Rodehutskors, Philipp; Müller, Lisa; Waterloo, Andreas R.; Dürr, Maximilian; Hübner, Eike; Ivanović-Burmazović, Ivana; Tykwinski, Rik R.; Burzlaff, Nicolai","Carbon-rich cyclopentadienyl ruthenium allenylidene complexes","New J. Chem.","2016","40","7","6127","","10.1039/C5NJ03556B","","x-ray","0.71073","MoKα","","0.0513","0.0437","","","0.1249","0.1298","","","","","","1.057","","","","has coordinates","185586","2020-10-21","18:00:00",""
"7055548","15.481","0.0006","16.085","0.0005","16.886","0.0004","84.904","0.002","68.132","0.003","68.142","0.003","3615.6","0.2","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C31.5 H27 Cl F6 N8.5 O0.5 P Ru -","- C31.5 H27 Cl F6 N8.5 O0.5 P Ru -","- C126 H108 Cl4 F24 N34 O2 P4 Ru4 -","4","2","","Hadadzadeh, Hassan; Farrokhpour, Hossein; Simpson, Jim; Shakeri, Jamaladin; Daryanavard, Marzieh; Shokrollahi, Marzieh","Electrocatalytic reduction of CO2to CO by a mononuclear ruthenium(ii) complex","New J. Chem.","2016","40","7","6347","","10.1039/C5NJ03600C","","","1.5418","CuKα","","0.0753","0.0649","","","0.1787","0.1886","","","","","","1.047","","","","has coordinates","192220","2020-10-21","18:00:00",""
"7055549","19.8876","0.0013","9.0457","0.0005","18.9565","0.0011","90","","105.766","0.005","90","","3281.9","0.3","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","Co Compound","","","- C48 H96.8 Cl2 Co2 N12 O22.4 -","- C48 H93.4 Cl2 Co2 N12 O22.4 -","- C96 H186.8 Cl4 Co4 N24 O44.8 -","2","0.25","","Sing, Nilam; Roy, Sanjay; Guin, Partha Sarathi; Mahali, Kalachand; Majee, Prakash; Mondal, Sudip Kumar; Mahata, Partha; Sengupta, Partha Sarathi; Mondal, Palash","A Co(ii) complex of a vitamer of vitamin B6acts as a sensor for Hg2+and pH in aqueous media","New J. Chem.","2016","40","7","6396","","10.1039/C6NJ00410E","","","0.71073","MoKα","","0.0958","0.0641","","","0.1851","0.2082","","","","","","1.099","","","","has coordinates,has disorder","185574","2020-10-21","18:00:00",""
"7055550","10.669","0.002","11.771","0.002","14.278","0.003","90","","90","","90","","1793.1","0.6","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C24 H18 O2 -","- C24 H18 O2 -","- C96 H72 O8 -","4","1","","Zhang, Ruimin; Wang, Mingliang; Sun, Hao; Khan, Arshad; Usman, Rabia; Wang, Shengzhi; Gu, Xiantao; Wang, Jia; Xu, Chunxiang","Effect of configurational isomerism and polymorphism on chalcone fluorescent properties","New J. Chem.","2016","40","7","6441","","10.1039/C6NJ00976J","","","0.71073","MoKα","","0.1189","0.058","","","0.1496","0.1862","","","","","","1.002","","","","has coordinates","185584","2020-10-21","18:00:00",""
"7055551","11.343","0.002","7.989","0.0016","21.559","0.004","90","","104.06","0.03","90","","1895.1","0.7","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C26 H18 O2 -","- C26 H18 O2 -","- C104 H72 O8 -","4","1","","Zhang, Ruimin; Wang, Mingliang; Sun, Hao; Khan, Arshad; Usman, Rabia; Wang, Shengzhi; Gu, Xiantao; Wang, Jia; Xu, Chunxiang","Effect of configurational isomerism and polymorphism on chalcone fluorescent properties","New J. Chem.","2016","40","7","6441","","10.1039/C6NJ00976J","","","0.71073","MoKα","","0.1264","0.0578","","","0.1387","0.1686","","","","","","1.002","","","","has coordinates","185584","2020-10-21","18:00:00",""
"7055552","29.981","0.006","5.74","0.0011","21.533","0.004","90","","91.25","0.03","90","","3704.8","1.2","293","2","293","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C26 H18 O2 -","- C26 H18 O2 -","- C208 H144 O16 -","8","1","","Zhang, Ruimin; Wang, Mingliang; Sun, Hao; Khan, Arshad; Usman, Rabia; Wang, Shengzhi; Gu, Xiantao; Wang, Jia; Xu, Chunxiang","Effect of configurational isomerism and polymorphism on chalcone fluorescent properties","New J. Chem.","2016","40","7","6441","","10.1039/C6NJ00976J","","","0.71073","MoKα","","0.1849","0.0871","","","0.1647","0.204","","","","","","1.01","","","","has coordinates","185584","2020-10-21","18:00:00",""
"7055553","16.727","0.003","5.641","0.0011","18.544","0.004","90","","109.35","0.03","90","","1650.9","0.6","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C23 H16 O -","- C23 H16 O -","- C92 H64 O4 -","4","1","","Zhang, Ruimin; Wang, Mingliang; Sun, Hao; Khan, Arshad; Usman, Rabia; Wang, Shengzhi; Gu, Xiantao; Wang, Jia; Xu, Chunxiang","Effect of configurational isomerism and polymorphism on chalcone fluorescent properties","New J. Chem.","2016","40","7","6441","","10.1039/C6NJ00976J","","","0.71073","MoKα","","0.1635","0.0675","","","0.1412","0.1823","","","","","","1.002","","","","has coordinates","185584","2020-10-21","18:00:00",""
"7055554","27.135","0.005","5.83","0.0012","20.776","0.004","90","","98.03","0.03","90","","3254.5","1.1","293","2","293","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C23 H16 O -","- C23 H16 O -","- C184 H128 O8 -","8","1","","Zhang, Ruimin; Wang, Mingliang; Sun, Hao; Khan, Arshad; Usman, Rabia; Wang, Shengzhi; Gu, Xiantao; Wang, Jia; Xu, Chunxiang","Effect of configurational isomerism and polymorphism on chalcone fluorescent properties","New J. Chem.","2016","40","7","6441","","10.1039/C6NJ00976J","","","0.71073","MoKα","","0.1709","0.0698","","","0.1151","0.1422","","","","","","1.001","","","","has coordinates","185584","2020-10-21","18:00:00",""
"7055555","12.9207","0.0002","22.2792","0.0007","7.8597","0.0004","90","","102.627","0.003","90","","2207.79","0.14","120","0.1","120","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","dichlorido-4,7-diphenyl-2,9-dimethyl-1,10-phenantrolinecobalt(II)","","- C26 H20 Cl2 Co N2 -","- C26 H20 Cl2 Co N2 -","- C104 H80 Cl8 Co4 N8 -","4","1","","Smolko, Lukáš; Černák, Juraj; Dušek, Michal; Titiš, Ján; Boča, Roman","Tetracoordinate Co(ii) complexes containing bathocuproine and single molecule magnetism","New J. Chem.","2016","40","8","6593","","10.1039/C6NJ00372A","","x-ray","1.54184","CuKα","","0.0385","0.0341","","","0.0882","0.092","","","","1.42","1.42","1.4","","","","has coordinates","185608","2020-10-21","18:00:00",""
"7055556","12.9571","0.0004","22.7711","0.0011","7.8738","0.0007","90","","103.018","0.004","90","","2263.4","0.2","119.95","0.14","119.95","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","dibromido-4,7-diphenyl-2,9-dimethyl-1,10-phenantrolinecobalt(II)","","- C26 H20 Br2 Co N2 -","- C26 H20 Br2 Co N2 -","- C104 H80 Br8 Co4 N8 -","4","1","","Smolko, Lukáš; Černák, Juraj; Dušek, Michal; Titiš, Ján; Boča, Roman","Tetracoordinate Co(ii) complexes containing bathocuproine and single molecule magnetism","New J. Chem.","2016","40","8","6593","","10.1039/C6NJ00372A","","x-ray","1.54184","CuKα","","0.0707","0.0588","","","0.1401","0.1478","","","","1.83","1.83","1.73","","","","has coordinates","185608","2020-10-21","18:00:00",""
"7055557","12.7126","0.0003","23.7131","0.0007","8.0118","0.0004","90","","98.626","0.003","90","","2387.88","0.15","120","0.1","120","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H20 Co I2 N2 -","- C26 H20 Co I2 N2 -","- C104 H80 Co4 I8 N8 -","4","1","","Smolko, Lukáš; Černák, Juraj; Dušek, Michal; Titiš, Ján; Boča, Roman","Tetracoordinate Co(ii) complexes containing bathocuproine and single molecule magnetism","New J. Chem.","2016","40","8","6593","","10.1039/C6NJ00372A","","x-ray","1.54184","CuKα","","0.0408","0.0301","","","0.0779","0.0866","","","","1.18","1.18","1.17","","","","has coordinates","185608","2020-10-21","18:00:00",""
"7055558","11.3302","0.0008","10.5415","0.0007","16.9754","0.0012","90","","95.253","0.001","90","","2019","0.2","294","2","294","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C27 H23 N O -","- C27 H23 N O -","- C108 H92 N4 O4 -","4","1","","Gupta, Kankatala S. V.; Ramana, Daggupati V.; Vinayak, Botla; Sridhar, Balasubramanian; Chandrasekharam, Malapaka","Copper-catalyzed regio and diastereoselective three component C‒N, C‒C and C‒O bond forming reaction: oxidative sp3C‒H functionalization","New J. Chem.","2016","40","7","6389","","10.1039/C5NJ03707G","","","0.71073","MoKα","","0.0651","0.0509","","","0.1306","0.1405","","","","","","1.024","","","","has coordinates","185576","2020-10-21","18:00:00",""
"7055559","16.33","0.0018","5.5498","0.0005","21.308","0.003","90","","110.785","0.006","90","","1805.4","0.4","150","2","150","2","","","","","","","synthesis as described","5","P 1 21/c 1","-P 2ybc","14","","","","- C44 H38 N4 Ni2 O6 -","- C44 H38 N4 Ni2 O6 -","- C88 H76 N8 Ni4 O12 -","2","0.5","","Novoa, Néstor; Roisnel, Thierry; Dorcet, Vincent; Cador, Olivier; Manzur, Carolina; Carrillo, David; Hamon, Jean-René","Efficient preparation of multimetallic ONO-based Schiff base complexes of nickel(ii) and copper(ii)","New J. Chem.","2016","40","7","5920","","10.1039/C6NJ00932H","","x-ray","0.71073","MoKα","","0.1231","0.0596","","","0.1123","0.1355","","","","","","1.016","","","","has coordinates","185566","2020-10-21","18:00:00",""
"7055560","7.1379","0.0003","26.0949","0.0011","21.8414","0.0007","90","","95.142","0.001","90","","4051.9","0.3","150","2","150","2","","","","","","","synthesis as described","6","P 1 21/c 1","-P 2ybc","14","","","","- C50 H42 Fe2 N4 Ni2 O4 -","- C50 H42 Fe2 N4 Ni2 O4 -","- C200 H168 Fe8 N16 Ni8 O16 -","4","1","","Novoa, Néstor; Roisnel, Thierry; Dorcet, Vincent; Cador, Olivier; Manzur, Carolina; Carrillo, David; Hamon, Jean-René","Efficient preparation of multimetallic ONO-based Schiff base complexes of nickel(ii) and copper(ii)","New J. Chem.","2016","40","7","5920","","10.1039/C6NJ00932H","","x-ray","0.71073","MoKα","","0.1026","0.0489","","","0.0915","0.1097","","","","","","0.999","","","","has coordinates","185566","2020-10-21","18:00:00",""
"7055561","8.678","0.0015","19.302","0.004","11.5537","0.0016","90","","108.72","0.008","90","","1832.9","0.6","150","2","150","2","","","","","","","synthesis as described","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H19 Cu N2 O3 -","- C22 H19 Cu N2 O3 -","- C88 H76 Cu4 N8 O12 -","4","1","","Novoa, Néstor; Roisnel, Thierry; Dorcet, Vincent; Cador, Olivier; Manzur, Carolina; Carrillo, David; Hamon, Jean-René","Efficient preparation of multimetallic ONO-based Schiff base complexes of nickel(ii) and copper(ii)","New J. Chem.","2016","40","7","5920","","10.1039/C6NJ00932H","","x-ray","0.71073","MoKα","","0.2134","0.0818","","","0.1397","0.1858","","","","","","0.935","","","","has coordinates","185566","2020-10-21","18:00:00",""
"7055562","9.4089","0.001","12.3402","0.0012","15.4689","0.0016","73.418","0.004","75.461","0.005","78.263","0.005","1649.3","0.3","150","2","150","2","","","","","","","synthesis as described","6","P -1","-P 1","2","","","","- C40 H34 Cu2 Fe2 N2 O4 -","- C40 H34 Cu2 Fe2 N2 O4 -","- C80 H68 Cu4 Fe4 N4 O8 -","2","1","","Novoa, Néstor; Roisnel, Thierry; Dorcet, Vincent; Cador, Olivier; Manzur, Carolina; Carrillo, David; Hamon, Jean-René","Efficient preparation of multimetallic ONO-based Schiff base complexes of nickel(ii) and copper(ii)","New J. Chem.","2016","40","7","5920","","10.1039/C6NJ00932H","","x-ray","0.71073","MoKα","","0.0403","0.0331","","","0.0812","0.0852","","","","","","1.045","","","","has coordinates","185566","2020-10-21","18:00:00",""
"7055563","14.3337","0.0013","8.0972","0.0007","21.2171","0.0019","90","","91.838","0.003","90","","2461.2","0.4","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C28 H28 O4 P2 -","- C28 H28 O4 P2 -","- C112 H112 O16 P8 -","4","0.5","","Molitor, Sebastian; Mahler, Christoph; Gessner, Viktoria H.","Synthesis and Solid-State Structures of Gold(I) Complexes of Diphosphines","New J. Chem.","2016","","","","","10.1039/C6NJ00786D","","","0.71073","MoKα","","0.0545","0.0431","","","0.1095","0.1157","","","","","","1.035","","","","has coordinates","182985","2020-10-21","18:00:00",""
"7055564","7.5386","0.0003","16.2636","0.0007","18.9268","0.0008","90","","100.154","0.001","90","","2284.17","0.17","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C28 H28 P2 -","- C28 H28 P2 -","- C112 H112 P8 -","4","1","","Molitor, Sebastian; Mahler, Christoph; Gessner, Viktoria H.","Synthesis and Solid-State Structures of Gold(I) Complexes of Diphosphines","New J. Chem.","2016","","","","","10.1039/C6NJ00786D","","","0.71073","MoKα","","0.0429","0.0326","","","0.0768","0.0816","","","","","","1.017","","","","has coordinates","182985","2020-10-21","18:00:00",""
"7055565","11.5426","0.0008","16.0408","0.0011","14.5815","0.0011","90","","90","","90","","2699.8","0.3","100","2","100","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C28 H28 Au2 Cl2 P2 -","- C28 H28 Au2 Cl2 P2 -","- C112 H112 Au8 Cl8 P8 -","4","1","","Molitor, Sebastian; Mahler, Christoph; Gessner, Viktoria H.","Synthesis and Solid-State Structures of Gold(I) Complexes of Diphosphines","New J. Chem.","2016","","","","","10.1039/C6NJ00786D","","","0.71073","MoKα","","0.032","0.0232","","","0.0451","0.0482","","","","","","1.061","","","","has coordinates","182985","2020-10-21","18:00:00",""
"7055566","15.401","0.002","12.9857","0.0019","14.468","0.003","90","","100.885","0.006","90","","2841.4","0.8","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C28 H28 Au2 Cl2 O4 P2 -","- C28 H28 Au2 Cl2 O4 P2 -","- C112 H112 Au8 Cl8 O16 P8 -","4","0.5","","Molitor, Sebastian; Mahler, Christoph; Gessner, Viktoria H.","Synthesis and Solid-State Structures of Gold(I) Complexes of Diphosphines","New J. Chem.","2016","","","","","10.1039/C6NJ00786D","","","0.71073","MoKα","","0.0284","0.0209","","","0.0386","0.0412","","","","","","1.03","","","","has coordinates","182985","2020-10-21","18:00:00",""
"7055567","10.3579","0.0007","10.4563","0.0007","11.1637","0.0007","62.997","0.002","68.316","0.002","78.142","0.002","1000","0.12","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C34 H44 Au2 Cl6 N4 P2 -","- C34 H44 Au2 Cl6 N4 P2 -","- C34 H44 Au2 Cl6 N4 P2 -","1","0.5","","Molitor, Sebastian; Mahler, Christoph; Gessner, Viktoria H.","Synthesis and Solid-State Structures of Gold(I) Complexes of Diphosphines","New J. Chem.","2016","","","","","10.1039/C6NJ00786D","","","0.71073","MoKα","","0.035","0.0272","","","0.0516","0.0546","","","","","","1.03","","","","has coordinates","182985","2020-10-21","18:00:00",""
"7055568","10.9838","0.0005","12.5329","0.0006","13.3045","0.0006","77.741","0.002","80.078","0.002","75.775","0.002","1720.84","0.14","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C32 H36 Au2 Cl2 O5 P2 -","- C32 H36 Au2 Cl2 O5 P2 -","- C64 H72 Au4 Cl4 O10 P4 -","2","1","","Molitor, Sebastian; Mahler, Christoph; Gessner, Viktoria H.","Synthesis and Solid-State Structures of Gold(I) Complexes of Diphosphines","New J. Chem.","2016","","","","","10.1039/C6NJ00786D","","","0.71073","MoKα","","0.0536","0.0364","","","0.0832","0.0909","","","","","","1.025","","","","has coordinates","182985","2020-10-21","18:00:00",""
"7055569","11.4972","0.0005","15.3421","0.0007","21.1914","0.001","94.108","0.002","90.027","0.002","92.97","0.002","3723.3","0.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C32 H40 Au2 Cl2 N4 P2 -","- C32 H40 Au2 Cl2 N4 P2 -","- C128 H160 Au8 Cl8 N16 P8 -","4","2","","Molitor, Sebastian; Mahler, Christoph; Gessner, Viktoria H.","Synthesis and Solid-State Structures of Gold(I) Complexes of Diphosphines","New J. Chem.","2016","","","","","10.1039/C6NJ00786D","","","0.71073","MoKα","","0.0918","0.0488","","","0.079","0.0911","","","","","","1.055","","","","has coordinates","182985","2020-10-21","18:00:00",""
"7055570","7.3242","0.0005","11.2949","0.0008","13.0454","0.0009","110.027","0.002","105.628","0.002","93.035","0.002","963.8","0.12","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C40 H28 Au2 F10 O4 P2 -","- C40 H28 Au2 F10 O4 P2 -","- C40 H28 Au2 F10 O4 P2 -","1","0.5","","Molitor, Sebastian; Mahler, Christoph; Gessner, Viktoria H.","Synthesis and Solid-State Structures of Gold(I) Complexes of Diphosphines","New J. Chem.","2016","","","","","10.1039/C6NJ00786D","","","0.71073","MoKα","","0.0247","0.0226","","","0.0522","0.0531","","","","","","1.088","","","","has coordinates","182985","2020-10-21","18:00:00",""
"7055571","9.0642","0.0011","11.8519","0.0014","18.732","0.002","86.072","0.002","83.458","0.002","81.905","0.002","1976.5","0.4","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C46 H42 N6 O4 S -","- C46 H42 N6 O4 S -","- C92 H84 N12 O8 S2 -","2","1","","Das, Sangita; Aich, Krishnendu; Goswami, Shyamaprosad; Quah, Ching Kheng; Fun, Hoong-Kun","FRET-based fluorescence ratiometric and colorimetric sensor to discriminate Fe3+from Fe2+","New J. Chem.","2016","40","7","6414","","10.1039/C5NJ03598H","","","0.71073","MoKα","","0.0791","0.0481","","","0.1027","0.119","","","","","","1.023","","","","has coordinates","185587","2020-10-21","18:00:00",""
"7055572","10.0882","0.0008","12.863","0.001","11.871","0.001","90","","102.335","0.006","90","","1504.9","0.2","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C32 H42 O2 Se2 -","- C32 H42 O2 Se2 -","- C64 H84 O4 Se4 -","2","1","","Ścianowski, Jacek; Pacuła, Agata J.; Zielińska-Błajet, Mariola; Wojtczak, Andrzej","New diphenyl diselenides o-substituted by an O(S,Se)-caranyl skeleton ‒ synthesis and application in asymmetric reactions","New J. Chem.","2016","40","8","6697","","10.1039/C6NJ00487C","","","0.71073","MoKα","","0.095","0.0587","","","0.1367","0.1535","","","","","","0.879","","","","has coordinates","185603","2020-10-21","18:00:00",""
"7055573","11.55","0.0008","29.977","0.002","9.144","0.001","90","","90","","90","","3166","0.5","293","2","293","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C21 H39 Cl3 Cu2 N2 O15 -","- C21 H35 Cl3 Cu2 N2 O15 -","- C84 H140 Cl12 Cu8 N8 O60 -","4","0.5","","Sanyal, Ria; Kundu, Priyanka; Rychagova, Elena; Zhigulin, Grigory; Ketkov, Sergey; Ghosh, Bipinbihari; Chattopadhyay, Shyamal Kumar; Zangrando, Ennio; Das, Debasis","Catecholase activity of Mannich-based dinuclear CuIIcomplexes with theoretical modeling: new insight into the solvent role in the catalytic cycle","New J. Chem.","2016","40","8","6623","","10.1039/C6NJ00105J","","","0.71073","MoKα","","0.1017","0.077","","","0.2234","0.2468","","","","","","1.056","","","","has coordinates","185621","2020-10-21","18:00:00",""
"7055574","9.7971","0.0004","11.2747","0.0004","18.5531","0.0009","97.974","0.002","92.99","0.002","114.816","0.001","1828.2","0.13","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C26 H40 Cl4 Cu2 N2 O15 -","- C26 H38 Cl4 Cu2 N2 O15 -","- C52 H76 Cl8 Cu4 N4 O30 -","2","1","","Sanyal, Ria; Kundu, Priyanka; Rychagova, Elena; Zhigulin, Grigory; Ketkov, Sergey; Ghosh, Bipinbihari; Chattopadhyay, Shyamal Kumar; Zangrando, Ennio; Das, Debasis","Catecholase activity of Mannich-based dinuclear CuIIcomplexes with theoretical modeling: new insight into the solvent role in the catalytic cycle","New J. Chem.","2016","40","8","6623","","10.1039/C6NJ00105J","","","0.71073","MoKα","","0.0804","0.0583","","","0.1771","0.1934","","","","","","1.04","","","","has coordinates","185621","2020-10-21","18:00:00",""
"7055575","14.1999","0.0004","13.2826","0.0004","17.8412","0.0005","90","","90","","90","","3365.06","0.17","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C26 H38 Cl2 Cu2 N4 O12 -","- C26 H38 Cl2 Cu2 N4 O12 -","- C104 H152 Cl8 Cu8 N16 O48 -","4","0.5","","Sanyal, Ria; Kundu, Priyanka; Rychagova, Elena; Zhigulin, Grigory; Ketkov, Sergey; Ghosh, Bipinbihari; Chattopadhyay, Shyamal Kumar; Zangrando, Ennio; Das, Debasis","Catecholase activity of Mannich-based dinuclear CuIIcomplexes with theoretical modeling: new insight into the solvent role in the catalytic cycle","New J. Chem.","2016","40","8","6623","","10.1039/C6NJ00105J","","","0.71073","MoKα","","0.0377","0.0279","","","0.0764","0.0823","","","","","","1.03","","","","has coordinates","185621","2020-10-21","18:00:00",""
"7055576","8.9325","0.0019","9.701","0.002","11.314","0.002","79.587","0.006","71.215","0.006","80.545","0.006","907","0.3","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C30 H46 Cl2 Cu2 N2 O11 -","- C30 H44 Cl2 Cu2 N2 O11 -","- C30 H44 Cl2 Cu2 N2 O11 -","1","0.5","","Sanyal, Ria; Kundu, Priyanka; Rychagova, Elena; Zhigulin, Grigory; Ketkov, Sergey; Ghosh, Bipinbihari; Chattopadhyay, Shyamal Kumar; Zangrando, Ennio; Das, Debasis","Catecholase activity of Mannich-based dinuclear CuIIcomplexes with theoretical modeling: new insight into the solvent role in the catalytic cycle","New J. Chem.","2016","40","8","6623","","10.1039/C6NJ00105J","","","0.71073","MoKα","","0.0859","0.0724","","","0.2003","0.2221","","","","","","1.096","","","","has coordinates","185621","2020-10-21","18:00:00",""
"7055577","10.8439","0.0011","10.9199","0.0011","12.5692","0.0012","79.521","0.006","65.587","0.006","62.424","0.006","1201.2","0.2","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C36 H28 F6 N4 O15 Re2 S2 -","- C36 H28 F6 N4 O15 Re2 S2 -","- C36 H28 F6 N4 O15 Re2 S2 -","1","0.5","","Mella, Pablo; Cabezas, Karina; Cerda, Carla; Cepeda, Marjorie; Günther, German; Pizarro, Nancy Alejandra; Vega, Andres","Solvent, Coordinating and Hydrogen-Bond Effects on the Chromic Luminescence of the Cationic Complex [(phen)(H2O)Re(CO)3]+","New J. Chem.","2016","","","","","10.1039/C6NJ00885B","","","0.71073","MoKα","","0.0593","0.0513","","","0.1388","0.1448","","","","","","1.04","","","","has coordinates","183040","2020-10-21","18:00:00",""
"7055578","8.9613","0.0015","10.9689","0.0019","11.7044","0.0019","94.367","0.004","97.337","0.004","94.165","0.004","1133.8","0.3","293","2","293","2","","","","","","","","8","P -1","-P 1","2","","'triluoromethenesulfonate of aquobromotricarbonylrhenium(I)'","","- C17 H12 Cl2 F3 N2 O7 Re S -","- C17 H12 Cl2 F3 N2 O7 Re S -","- C34 H24 Cl4 F6 N4 O14 Re2 S2 -","2","1","","Mella, Pablo; Cabezas, Karina; Cerda, Carla; Cepeda, Marjorie; Günther, German; Pizarro, Nancy Alejandra; Vega, Andres","Solvent, Coordinating and Hydrogen-Bond Effects on the Chromic Luminescence of the Cationic Complex [(phen)(H2O)Re(CO)3]+","New J. Chem.","2016","","","","","10.1039/C6NJ00885B","","","0.71073","MoKα","","0.0487","0.039","","","0.0875","0.0931","","","","","","1.016","","","","has coordinates","183040","2020-10-21","18:00:00",""
"7055579","10.9653","0.0008","24.1931","0.0017","10.7357","0.0007","90","","93.07","0.002","90","","2843.9","0.3","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C28 H34 Hg1.5 N O3 S -","- C28 H34 Hg1.5 N O3 S -","- C112 H136 Hg6 N4 O12 S4 -","4","1","","Casas, José S.; Couce, María D.; García-Vega, Manuel; Sánchez, Agustín; Sordo, José; Vázquez López, Ezequiel M.","Phenylmercury(ii) sulfanylpropenoates: an example of symmetrization with the 3-(2-methoxyphenyl)-2-sulfanylpropenoato ligand","New J. Chem.","2016","40","8","6735","","10.1039/C6NJ00624H","","","0.71073","MoKα","","0.1357","0.0381","","","0.0455","0.0568","","","","","","0.701","","","","has coordinates","185602","2020-10-21","18:00:00",""
"7055580","9.977","0.003","10.614","0.003","12.809","0.003","111.613","0.004","95.651","0.004","109.288","0.004","1152.2","0.6","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C22 H29 Hg N O3 S -","- C22 H29 Hg N O3 S -","- C44 H58 Hg2 N2 O6 S2 -","2","1","","Casas, José S.; Couce, María D.; García-Vega, Manuel; Sánchez, Agustín; Sordo, José; Vázquez López, Ezequiel M.","Phenylmercury(ii) sulfanylpropenoates: an example of symmetrization with the 3-(2-methoxyphenyl)-2-sulfanylpropenoato ligand","New J. Chem.","2016","40","8","6735","","10.1039/C6NJ00624H","","","0.71073","MoKα","","0.0384","0.0279","","","0.0621","0.0676","","","","","","1.033","","","","has coordinates","185602","2020-10-21","18:00:00",""
"7055581","10.1999","0.0008","11.0816","0.0008","12.1792","0.001","101.713","0.001","103.418","0.002","113.876","0.001","1154.21","0.16","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C22 H29 Hg N O3 S -","- C22 H29 Hg N O3 S -","- C44 H58 Hg2 N2 O6 S2 -","2","1","","Casas, José S.; Couce, María D.; García-Vega, Manuel; Sánchez, Agustín; Sordo, José; Vázquez López, Ezequiel M.","Phenylmercury(ii) sulfanylpropenoates: an example of symmetrization with the 3-(2-methoxyphenyl)-2-sulfanylpropenoato ligand","New J. Chem.","2016","40","8","6735","","10.1039/C6NJ00624H","","","0.71073","MoKα","","0.0582","0.0418","","","0.0841","0.088","","","","","","0.891","","","","has coordinates","185602","2020-10-21","18:00:00",""
"7055582","10.9515","0.0009","15.1588","0.0012","16.0378","0.0013","91.515","0.002","109.962","0.002","92.162","0.002","2498.5","0.4","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C44 H52 F6 Hg2 N2 O6 S2 -","- C44 H52 F6 Hg2 N2 O6 S2 -","- C88 H104 F12 Hg4 N4 O12 S4 -","2","1","","Casas, José S.; Couce, María D.; García-Vega, Manuel; Sánchez, Agustín; Sordo, José; Vázquez López, Ezequiel M.","Phenylmercury(ii) sulfanylpropenoates: an example of symmetrization with the 3-(2-methoxyphenyl)-2-sulfanylpropenoato ligand","New J. Chem.","2016","40","8","6735","","10.1039/C6NJ00624H","","","0.71073","MoKα","","0.1022","0.0443","","","0.1018","0.134","","","","","","0.895","","","","has coordinates","185602","2020-10-21","18:00:00",""
"7055583","21.201","0.007","10.863","0.002","32.16","0.006","90","","98.94","0.04","90","","7317","3","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","5-(4-tert-butylphenyl)-15-bipyridine-porphyrin zinc","zinc{5-(4-tert-butylphenyl)-15-[4-(2,2'-bipyridine)]-porphyrinato}","","- C44 H38 N6 O Zn -","- C44 H38 N6 O Zn -","- C352 H304 N48 O8 Zn8 -","8","1","","Charisiadis, Asterios; Nikolaou, Vasilis; Karikis, Kostas; Giatagana, Chrysa; Chalepli, Konstantina; Ladomenou, Kalliopi; Biswas, Suhayan; Sharma, Ganesh D.; Coutsolelos, Athanassios G.","Two new bulky substituted Zn porphyrins bearing carboxylate anchoring groups as promising dyes for DSSCs","New J. Chem.","2016","40","7","5930","","10.1039/C6NJ00634E","","","0.71073","MoKα","","0.1568","0.068","","","0.0981","0.1178","","","","","","1.035","","","","has coordinates,has disorder","185569","2020-10-21","18:00:00",""
"7055584","8.9739","0.0006","8.5841","0.0006","30.686","0.003","90","","90","","90","","2363.8","0.3","293","2","293","2","","","","","","","","5","P n a m","-P 2c 2n","62","","","","- C26 H20 N O5 Pb -","- C26 H26 N O5 Pb -","- C104 H104 N4 O20 Pb4 -","4","0.5","","Dai, Fangna; Fan, Weidong; Bi, Jiahui; Zhang, Qian; Zhang, XiRui; Liang, Tuo; Wang, Xingyi; Dong, Bin; Gao, Jing","Four Pb(ii) metal‒organic frameworks with increasing dimensions: structural diversities by varying the ligands","New J. Chem.","2016","40","8","6867","","10.1039/C5NJ03632A","","","0.71073","MoKα","","0.0644","0.0446","","","0.0666","0.074","","","","","","1.004","","","","has coordinates,has disorder","185606","2020-10-21","18:00:00",""
"7055585","7.7028","0.0003","5.3856","0.0002","35.9661","0.0015","90","","95.458","0.004","90","","1485.26","0.1","200","0.1","200","0.1","","","","","","","","4","I 1 2/c 1","-I 2yc","15","","","","- C20 H12 O4 Pb -","- C20 H12 O4 Pb -","- C80 H48 O16 Pb4 -","4","0.5","","Dai, Fangna; Fan, Weidong; Bi, Jiahui; Zhang, Qian; Zhang, XiRui; Liang, Tuo; Wang, Xingyi; Dong, Bin; Gao, Jing","Four Pb(ii) metal‒organic frameworks with increasing dimensions: structural diversities by varying the ligands","New J. Chem.","2016","40","8","6867","","10.1039/C5NJ03632A","","","0.71073","MoKα","","0.0287","0.0268","","","0.0539","0.0555","","","","","","1.078","","","","has coordinates","185606","2020-10-21","18:00:00",""
"7055586","16.734","0.0006","8.002","0.0002","34.8764","0.0009","90","","101.383","0.003","90","","4578.3","0.2","293","2","293","2","","","","","","","","5","I 1 2/c 1","-I 2yc","15","","","","- C25 H23 N O5 Pb -","- C25 H23 N O5 Pb -","- C200 H184 N8 O40 Pb8 -","8","1","","Dai, Fangna; Fan, Weidong; Bi, Jiahui; Zhang, Qian; Zhang, XiRui; Liang, Tuo; Wang, Xingyi; Dong, Bin; Gao, Jing","Four Pb(ii) metal‒organic frameworks with increasing dimensions: structural diversities by varying the ligands","New J. Chem.","2016","40","8","6867","","10.1039/C5NJ03632A","","","0.71","MoKα","","0.0451","0.0315","","","0.0568","0.0622","","","","","","1.048","","","","has coordinates,has disorder","185606","2020-10-21","18:00:00",""
"7055587","19.6153","0.0005","7.10613","0.00016","18.5113","0.0004","90","","94.072","0.002","90","","2573.76","0.1","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C24 H12 Cl2 N4 O8 Pb3 -","- C24 H12 Cl2 N4 O8 Pb3 -","- C96 H48 Cl8 N16 O32 Pb12 -","4","0.5","","Dai, Fangna; Fan, Weidong; Bi, Jiahui; Zhang, Qian; Zhang, XiRui; Liang, Tuo; Wang, Xingyi; Dong, Bin; Gao, Jing","Four Pb(ii) metal‒organic frameworks with increasing dimensions: structural diversities by varying the ligands","New J. Chem.","2016","40","8","6867","","10.1039/C5NJ03632A","","","0.71","MoKα","","0.0432","0.0332","","","0.065","0.0719","","","","","","1.063","","","","has coordinates","185606","2020-10-21","18:00:00",""
"7055588","11.9003","0.0004","14.8271","0.0005","16.7978","0.0006","78.317","0.003","79.682","0.003","79.942","0.003","2825.97","0.17","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C60 H60 N4 Ni4 O12 -","- C60 H60 N4 Ni4 O12 -","- C120 H120 N8 Ni8 O24 -","2","1","","Cindrić, Marina; Pavlović, Gordana; Pajić, Damir; Zadro, Krešo; Cinčić, Dominik; Hrenar, Tomica; Lekšić, Edislav; Belen Pinar Prieto, Ana; Lazić, Predrag; Šišak Jung, Dubravka","Correlation between structural, physical and chemical properties of three new tetranuclear NiIIclusters","New J. Chem.","2016","40","8","6604","","10.1039/C6NJ00287K","","","0.71073","MoKα","","0.1251","0.0613","","","0.0987","0.1163","","","","","","0.974","","","","has coordinates","185610","2020-10-21","18:00:00",""
"7055589","11.7984","0.0003","14.6129","0.0004","16.862","0.0005","77.752","0.002","79.495","0.002","79.732","0.002","2763.74","0.13","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C60.32 H60 N4 Ni4 O12.64 -","- C60.32 H60 N4 Ni4 O12.64 -","- C120.64 H120 N8 Ni8 O25.28 -","2","1","","Cindrić, Marina; Pavlović, Gordana; Pajić, Damir; Zadro, Krešo; Cinčić, Dominik; Hrenar, Tomica; Lekšić, Edislav; Belen Pinar Prieto, Ana; Lazić, Predrag; Šišak Jung, Dubravka","Correlation between structural, physical and chemical properties of three new tetranuclear NiIIclusters","New J. Chem.","2016","40","8","6604","","10.1039/C6NJ00287K","","","0.71073","MoKα","","0.0586","0.0387","","","0.0774","0.0839","","","","","","1.009","","","","has coordinates,has disorder","185610","2020-10-21","18:00:00",""
"7055590","11.9649","0.0004","14.7344","0.0005","16.9441","0.0006","78.05","0.003","80.183","0.003","79.885","0.003","2848.97","0.17","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C60 H60 N4 Ni4 O12 -","- C60 H60 N4 Ni4 O12 -","- C120 H120 N8 Ni8 O24 -","2","1","","Cindrić, Marina; Pavlović, Gordana; Pajić, Damir; Zadro, Krešo; Cinčić, Dominik; Hrenar, Tomica; Lekšić, Edislav; Belen Pinar Prieto, Ana; Lazić, Predrag; Šišak Jung, Dubravka","Correlation between structural, physical and chemical properties of three new tetranuclear NiIIclusters","New J. Chem.","2016","40","8","6604","","10.1039/C6NJ00287K","","","0.71073","MoKα","","0.1137","0.0629","","","0.1357","0.1568","","","","","","1.004","","","","has coordinates","185610","2020-10-21","18:00:00",""
"7055591","11.8638","0.0005","14.6263","0.0006","16.9277","0.0007","77.775","0.004","79.854","0.003","79.725","0.004","2795.3","0.2","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C60.63 H60 N4 Ni4 O12.63 -","- C60.63 H60 N4 Ni4 O12.63 -","- C121.26 H120 N8 Ni8 O25.26 -","2","1","","Cindrić, Marina; Pavlović, Gordana; Pajić, Damir; Zadro, Krešo; Cinčić, Dominik; Hrenar, Tomica; Lekšić, Edislav; Belen Pinar Prieto, Ana; Lazić, Predrag; Šišak Jung, Dubravka","Correlation between structural, physical and chemical properties of three new tetranuclear NiIIclusters","New J. Chem.","2016","40","8","6604","","10.1039/C6NJ00287K","","","0.71073","MoKα","","0.0706","0.0348","","","0.0528","0.0563","","","","","","0.793","","","","has coordinates,has disorder","185610","2020-10-21","18:00:00",""
"7055592","18.898","0.0004","16.7388","0.0004","17.3542","0.0004","90","","90","","90","","5489.7","0.2","296","","296","","","","","","","","","3","C m c 21","C 2c -2","36","","","","- F70 Ti10 Xe5 -","- F69.994 Ti10 Xe5 -","- F279.976 Ti40 Xe20 -","4","0.5","","Mazej, Zoran; Goreshnik, Evgeny A.","Largest perfluorometallate [Ti10F45]5−oligomer and polymeric ([Ti3F13]−)∞and ([TiF5]−)∞anions prepared as [XeF5]+salts","New J. Chem.","2016","40","9","7320","","10.1039/C6NJ00955G","","x-ray","0.71073","MoKα","","0.038","0.035","","","0.0833","0.0857","","","","","","1.027","","","","has coordinates","186452","2020-10-21","18:00:00",""
"7055593","18.139","0.002","8.5173","0.0009","18.1876","0.0016","90","","90","","90","","2809.9","0.5","149.97","0.15","149.97","0.15","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- F10 Ti Xe -","- F10 Ti Xe -","- F160 Ti16 Xe16 -","16","2","","Mazej, Zoran; Goreshnik, Evgeny A.","Largest perfluorometallate [Ti10F45]5−oligomer and polymeric ([Ti3F13]−)∞and ([TiF5]−)∞anions prepared as [XeF5]+salts","New J. Chem.","2016","40","9","7320","","10.1039/C6NJ00955G","","x-ray","0.71073","MoKα","","0.1246","0.0867","","","0.2042","0.2289","","","","","","1.054","","","","has coordinates","186452","2020-10-21","18:00:00",""
"7055594","9.7699","0.0006","11.0276","0.0006","13.4581","0.0007","89.601","0.005","69.992","0.005","77.717","0.005","1327.83","0.14","150","0.1","150","0.1","","","","","","","","3","P -1","-P 1","2","","","","- F36 Ti6 Xe2 -","- F36 Ti6 Xe2 -","- F72 Ti12 Xe4 -","2","1","","Mazej, Zoran; Goreshnik, Evgeny A.","Largest perfluorometallate [Ti10F45]5−oligomer and polymeric ([Ti3F13]−)∞and ([TiF5]−)∞anions prepared as [XeF5]+salts","New J. Chem.","2016","40","9","7320","","10.1039/C6NJ00955G","","x-ray","0.71073","MoKα","","0.0826","0.0579","","","0.1438","0.154","","","","","","1.001","","","","has coordinates","186452","2020-10-21","18:00:00",""
"7055595","11.412","0.004","15.341","0.006","24.64","0.009","90","","102.498","0.006","90","","4212","3","296","2","296.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C48 H37 N5 O2 Zn -","- C48 H37 N5 O2 Zn -","- C192 H148 N20 O8 Zn4 -","4","1","","Liu, Hui; Tu, Ji-Qiang; Zhang, Cheng-Hua; Xiao, Qiao-Ting; Wang, Tian-Hua; Ju, Xiu-Lian","Selective complexation of di-n-hexylammonium salts by tailed porphyrin host","New J. Chem.","2016","40","7","5679","","10.1039/C6NJ00045B","","","0.71073","MoKα","","0.095","0.0648","","","0.1752","0.1915","","","","","","1.037","","","","has coordinates,has disorder","185577","2020-10-21","18:00:00",""
"7055596","9.3672","0.0008","20.6388","0.0018","29.622","0.003","90","","94.688","0.001","90","","5707.6","0.9","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C66 H66 B F2 N3 O2 S2 -","- C66 H66 B F2 N3 O2 S2 -","- C264 H264 B4 F8 N12 O8 S8 -","4","1","","Wang, Jun; Li, Jin; Chen, Na; Wu, Yayang; Hao, Erhong; Wei, Yun; Mu, Xiaolong; Jiao, Lijuan","Synthesis, structure and properties of thiophene-fused BODIPYs and azaBODIPYs as near-infrared agents","New J. Chem.","2016","40","7","5966","","10.1039/C6NJ01011C","","","0.71073","MoKα","","0.1818","0.092","","","0.2565","0.3253","","","","","","1.038","","","","has coordinates","185580","2020-10-21","18:00:00",""
"7055597","12.5342","0.0013","36.614","0.004","11.8932","0.0013","90","","114.485","0.001","90","","4967.3","0.9","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C55 H43 B F2 N2 O6 S2 -","- C55 H43 B F2 N2 O6 S2 -","- C220 H172 B4 F8 N8 O24 S8 -","4","1","","Wang, Jun; Li, Jin; Chen, Na; Wu, Yayang; Hao, Erhong; Wei, Yun; Mu, Xiaolong; Jiao, Lijuan","Synthesis, structure and properties of thiophene-fused BODIPYs and azaBODIPYs as near-infrared agents","New J. Chem.","2016","40","7","5966","","10.1039/C6NJ01011C","","","0.71073","MoKα","","0.1111","0.0664","","","0.1978","0.2195","","","","","","1.092","","","","has coordinates","185580","2020-10-21","18:00:00",""
"7055598","7.495","0.001","8.509","0.001","16.398","0.003","91.72","0.02","101.45","0.01","116.12","0.01","912.1","0.3","250","2","250","2","","","","","","","","5","P -1","-P 1","2","","","","- C21 H5 F10 N O -","- C21 H5 F10 N O -","- C42 H10 F20 N2 O2 -","2","1","","Faurie, Alexandre; Mallet, Charlotte; Allain, Magali; Skene, W. G.; Frère, Pierre","Topological and packing mode modification for solid-state emission enhancement of bis(perfluorostyryl)furan derivatives","New J. Chem.","2016","40","8","6728","","10.1039/C5NJ03561A","","x-ray","0.71073","MoKα","","0.1915","0.0735","","","0.097","0.128","","","","","","1.04","","","","has coordinates","185607","2020-10-21","18:00:00",""
"7055599","7.414","0.002","12.582","0.001","13.338","0.002","90","","91","0.02","90","","1244","0.4","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C14 H4 F5 N O2 -","- C14 H4 F5 N O2 -","- C56 H16 F20 N4 O8 -","4","2","","Faurie, Alexandre; Mallet, Charlotte; Allain, Magali; Skene, W. G.; Frère, Pierre","Topological and packing mode modification for solid-state emission enhancement of bis(perfluorostyryl)furan derivatives","New J. Chem.","2016","40","8","6728","","10.1039/C5NJ03561A","","x-ray","0.71073","MoKα","","0.1418","0.0734","","","0.1706","0.2047","","","","","","1.033","","","","has coordinates","185607","2020-10-21","18:00:00",""
"7055600","6.634","0.002","4.733","0.002","18.468","0.006","90","","92.01","0.03","90","","579.5","0.4","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C13 H5 F5 O2 -","- C13 H5 F5 O2 -","- C26 H10 F10 O4 -","2","1","","Faurie, Alexandre; Mallet, Charlotte; Allain, Magali; Skene, W. G.; Frère, Pierre","Topological and packing mode modification for solid-state emission enhancement of bis(perfluorostyryl)furan derivatives","New J. Chem.","2016","40","8","6728","","10.1039/C5NJ03561A","","x-ray","0.71073","MoKα","","0.1208","0.0591","","","0.1111","0.1239","","","","","","1.084","","","","has coordinates","185607","2020-10-21","18:00:00",""
"7055601","19.404","0.005","9.092","0.002","12.045","0.006","90","","90","","90","","2125","1.3","173","2","173","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","3-(4-(Dimethylamino)phenyl)spiro[fluorene-4,2?-[2H]indene]-1?,3?,9(3H)- trione","","- C29 H21 N O3 -","- C29 H21 N O3 -","- C116 H84 N4 O12 -","4","1","","Bekere, Laura; Larina, Nina; Lokshin, Vladimir; Ellern, Arkady; Sigalov, Mark; Khodorkovsky, Vladimir","A new class of spirocyclic photochromes reacting with light of both UV and visible ranges","New J. Chem.","2016","40","8","6554","","10.1039/C6NJ00666C","","","0.71073","MoKα","","0.0838","0.0544","","","0.1109","0.1273","","","","","","1.323","","","","has coordinates","185616","2020-10-21","18:00:00",""
"7055602","11.6979","0.0004","12.3967","0.0004","16.6477","0.0006","90","","96.137","0.003","90","","2400.34","0.14","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","3-(4-(Diethylamino)phenyl)spiro[fluorene-4,2?-[2H]indene]-1?,3?,9(3H)- trione","","- C31 H25 N O3 -","- C31 H25 N O3 -","- C124 H100 N4 O12 -","4","1","","Bekere, Laura; Larina, Nina; Lokshin, Vladimir; Ellern, Arkady; Sigalov, Mark; Khodorkovsky, Vladimir","A new class of spirocyclic photochromes reacting with light of both UV and visible ranges","New J. Chem.","2016","40","8","6554","","10.1039/C6NJ00666C","","","1.54184","CuKα","","0.084","0.0619","","","0.1687","0.1909","","","","","","1.034","","","","has coordinates,has disorder","185616","2020-10-21","18:00:00",""
"7055603","17.42499","0.00014","13.44287","0.0001","18.57921","0.00014","90","","93.9206","0.0007","90","","4341.84","0.06","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","3-(4-Methoxyphenyl)spiro[fluorene-4,2?-[2H]indene]-1?,3?,9(3H)-trione","","- C28 H18 O4 -","- C28 H18 O4 -","- C224 H144 O32 -","8","2","","Bekere, Laura; Larina, Nina; Lokshin, Vladimir; Ellern, Arkady; Sigalov, Mark; Khodorkovsky, Vladimir","A new class of spirocyclic photochromes reacting with light of both UV and visible ranges","New J. Chem.","2016","40","8","6554","","10.1039/C6NJ00666C","","","1.54184","CuKα","","0.0492","0.043","","","0.1181","0.126","","","","","","1.033","","","","has coordinates","193656","2020-10-21","18:00:00",""
"7055604","48.58","0.02","19.477","0.009","18.724","0.008","90","","101.814","0.01","90","","17341","13","296","2","296","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C65 H65 B Cl Cu2 N14 O41.5 W12 -","- C65 H53 B Cl Cu2 N14 O41.5 W12 -","- C520 H424 B8 Cl8 Cu16 N112 O332 W96 -","8","1","","Wang, Shuo; Yu, Kai; Wang, Bo; Wang, Lu; Wang, Chun-Xiao; Zhang, He; Wang, Chun-Mei; Zhou, Baibin","Construction of two novel borotungstates modified by different ligands connected with single/double bridges","New J. Chem.","2016","40","8","7011","","10.1039/C6NJ00155F","","","0.71073","MoKα","","0.0764","0.068","","","0.0956","0.126","","","","","","1.139","","","","has coordinates","185605","2020-10-21","18:00:00",""
"7055605","18.1729","0.0006","21.8162","0.0007","16.4158","0.0005","90","","90","","90","","6508.3","0.4","296","2","296","2","","","","","","","","7","P c a 21","P 2c -2ac","29","","","","- C38 H36 B Cu2 N12 O40 W12 -","- C38 H36 B Cu2 N12 O40 W12 -","- C152 H144 B4 Cu8 N48 O160 W48 -","4","1","","Wang, Shuo; Yu, Kai; Wang, Bo; Wang, Lu; Wang, Chun-Xiao; Zhang, He; Wang, Chun-Mei; Zhou, Baibin","Construction of two novel borotungstates modified by different ligands connected with single/double bridges","New J. Chem.","2016","40","8","7011","","10.1039/C6NJ00155F","","","0.71073","MoKα","","0.0382","0.0337","","","0.0814","0.0838","","","","","","1.011","","","","has coordinates","185605","2020-10-21","18:00:00",""
"7055606","16.7909","0.0008","11.3883","0.0006","15.3276","0.0008","90","","90.119","0.001","90","","2930.9","0.3","147","2","147","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C24 H17 Eu2 N3 O22 -","- C24 H17 Eu2 N3 O22 -","- C96 H68 Eu8 N12 O88 -","4","0.5","","Smith, Jermaine A.; Singh-Wilmot, Marvadeen A.; Carter, Korey P.; Cahill, Christopher L.; Lough, Alan J.; Knee, Christopher S.","Eight rare earth metal organic frameworks and coordination polymers from 2-nitroterephthlate: syntheses, structures, solid-state luminescence and an unprecedented topology","New J. Chem.","2016","40","9","7338","","10.1039/C6NJ00822D","","","0.71073","MoKα","","0.0167","0.0147","","","0.0354","0.0364","","","","","","1.131","","","","has coordinates,has disorder","186463","2020-10-21","18:00:00",""
"7055607","16.7322","0.0009","11.3501","0.0009","15.2871","0.0009","90","","90.04","0.002","90","","2903.2","0.3","147","2","147","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C24 H17 N3 O22 Tb2 -","- C24 H17 N3 O22 Tb2 -","- C96 H68 N12 O88 Tb8 -","4","0.5","","Smith, Jermaine A.; Singh-Wilmot, Marvadeen A.; Carter, Korey P.; Cahill, Christopher L.; Lough, Alan J.; Knee, Christopher S.","Eight rare earth metal organic frameworks and coordination polymers from 2-nitroterephthlate: syntheses, structures, solid-state luminescence and an unprecedented topology","New J. Chem.","2016","40","9","7338","","10.1039/C6NJ00822D","","","0.71073","MoKα","","0.0162","0.0136","","","0.0316","0.0328","","","","","","1.091","","","","has coordinates,has disorder","186463","2020-10-21","18:00:00",""
"7055608","16.6713","0.0007","11.2905","0.0005","15.2129","0.0007","90","","90.2242","0.0012","90","","2863.5","0.2","147","2","147","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C24 H17 Er2 N3 O22 -","- C24 H17 Er2 N3 O22 -","- C96 H68 Er8 N12 O88 -","4","0.5","","Smith, Jermaine A.; Singh-Wilmot, Marvadeen A.; Carter, Korey P.; Cahill, Christopher L.; Lough, Alan J.; Knee, Christopher S.","Eight rare earth metal organic frameworks and coordination polymers from 2-nitroterephthlate: syntheses, structures, solid-state luminescence and an unprecedented topology","New J. Chem.","2016","40","9","7338","","10.1039/C6NJ00822D","","","0.71073","MoKα","","0.0194","0.0147","","","0.032","0.0335","","","","","","1.08","","","","has coordinates,has disorder","186463","2020-10-21","18:00:00",""
"7055609","8.3712","0.0005","9.8819","0.0006","10.268","0.0006","105.245","0.002","105.311","0.002","93.668","0.002","782.26","0.08","147","2","147","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H20 La2 N3 O24 -","- C24 H20 La2 N3 O24 -","- C24 H20 La2 N3 O24 -","1","0.5","","Smith, Jermaine A.; Singh-Wilmot, Marvadeen A.; Carter, Korey P.; Cahill, Christopher L.; Lough, Alan J.; Knee, Christopher S.","Eight rare earth metal organic frameworks and coordination polymers from 2-nitroterephthlate: syntheses, structures, solid-state luminescence and an unprecedented topology","New J. Chem.","2016","40","9","7338","","10.1039/C6NJ00822D","","","0.71073","MoKα","","0.0206","0.0183","","","0.0414","0.0421","","","","","","1.141","","","","has coordinates,has disorder","186463","2020-10-21","18:00:00",""
"7055610","8.724","0.0006","11.3159","0.0008","12.3944","0.0009","109.997","0.007","95.76","0.006","110.131","0.007","1046.07","0.16","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H10 N2 Nd O14 -","- C16 H6 N2 Nd O14 -","- C32 H12 N4 Nd2 O28 -","2","1","","Smith, Jermaine A.; Singh-Wilmot, Marvadeen A.; Carter, Korey P.; Cahill, Christopher L.; Lough, Alan J.; Knee, Christopher S.","Eight rare earth metal organic frameworks and coordination polymers from 2-nitroterephthlate: syntheses, structures, solid-state luminescence and an unprecedented topology","New J. Chem.","2016","40","9","7338","","10.1039/C6NJ00822D","","x-ray","0.71073","MoKα","","0.0517","0.0492","","","0.1404","0.1426","","","","","","1.093","","","","has coordinates","186463","2020-10-21","18:00:00",""
"7055611","6.907","0.0007","21.897","0.002","23.151","0.002","90","","90","","90","","3501.4","0.6","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C24 H8 N2 Nd2 O24 -","- C24 H6 N3 Nd2 O26 -","- C96 H24 N12 Nd8 O104 -","4","0.5","","Smith, Jermaine A.; Singh-Wilmot, Marvadeen A.; Carter, Korey P.; Cahill, Christopher L.; Lough, Alan J.; Knee, Christopher S.","Eight rare earth metal organic frameworks and coordination polymers from 2-nitroterephthlate: syntheses, structures, solid-state luminescence and an unprecedented topology","New J. Chem.","2016","40","9","7338","","10.1039/C6NJ00822D","","x-ray","0.71073","MoKα","","0.0523","0.0376","","","0.0871","0.0945","","","","","","1.126","","","","has coordinates,has disorder","186463","2020-10-21","18:00:00",""
"7055612","19.017","0.002","5.109","0.0005","17.805","0.002","90","","99.507","0.012","90","","1706.1","0.3","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C16 H18 N4 S2 -","- C16 H18 N4 S2 -","- C64 H72 N16 S8 -","4","0.5","","Phukan, Nithi; Baruah, Jubaraj B.","Solvent and anion facilitated conformational changes in benzylamine substituted thiazolamine","New J. Chem.","2016","40","8","6899","","10.1039/C6NJ00154H","","","0.71073","MoKα","","0.0765","0.0659","","","0.1502","0.1552","","","","","","1.062","","","","has coordinates","185613","2020-10-21","18:00:00",""
"7055613","13.4747","0.0014","9.6657","0.001","13.4889","0.0014","90","","105.678","0.008","90","","1691.5","0.3","296","2","296","2","","","","","","","","4","I 1 2/c 1","-I 2yc","15","","","","- C16 H18 N4 S2 -","- C16 H18 N4 S2 -","- C64 H72 N16 S8 -","4","0.5","","Phukan, Nithi; Baruah, Jubaraj B.","Solvent and anion facilitated conformational changes in benzylamine substituted thiazolamine","New J. Chem.","2016","40","8","6899","","10.1039/C6NJ00154H","","","0.71073","MoKα","","0.0446","0.0375","","","0.1242","0.1328","","","","","","1.017","","","","has coordinates","185613","2020-10-21","18:00:00",""
"7055614","7.5072","0.0006","8.4305","0.0007","9.1386","0.0007","73.216","0.004","85.375","0.005","74.943","0.005","534.72","0.08","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C16 H24 Br2 N4 O2 S2 -","- C16 H24 Br2 N4 O2 S2 -","- C16 H24 Br2 N4 O2 S2 -","1","0.5","","Phukan, Nithi; Baruah, Jubaraj B.","Solvent and anion facilitated conformational changes in benzylamine substituted thiazolamine","New J. Chem.","2016","40","8","6899","","10.1039/C6NJ00154H","","","0.71073","MoKα","","0.0386","0.0303","","","0.0621","0.0648","","","","","","1.083","","","","has coordinates","185613","2020-10-21","18:00:00",""
"7055615","7.0178","0.0017","16.125","0.004","9.208","0.002","90","","104.814","0.015","90","","1007.4","0.4","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C16 H20 N6 O6 S2 -","- C16 H20 N6 O6 S2 -","- C32 H40 N12 O12 S4 -","2","0.5","","Phukan, Nithi; Baruah, Jubaraj B.","Solvent and anion facilitated conformational changes in benzylamine substituted thiazolamine","New J. Chem.","2016","40","8","6899","","10.1039/C6NJ00154H","","","0.71073","MoKα","","0.0906","0.0678","","","0.1523","0.1616","","","","","","1.058","","","","has coordinates","185613","2020-10-21","18:00:00",""
"7055616","8.0722","0.0008","19.8911","0.0019","9.3871","0.0009","90","","98.293","0.004","90","","1491.5","0.3","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C16 H30 N4 O16 P4 S2 -","- C16 H30 N4 O16 P4 S2 -","- C32 H60 N8 O32 P8 S4 -","2","0.5","","Phukan, Nithi; Baruah, Jubaraj B.","Solvent and anion facilitated conformational changes in benzylamine substituted thiazolamine","New J. Chem.","2016","40","8","6899","","10.1039/C6NJ00154H","","","0.71073","MoKα","","0.0331","0.0298","","","0.0681","0.0694","","","","","","1.024","","","","has coordinates","185613","2020-10-21","18:00:00",""
"7055617","9.3155","0.0014","17.453","0.003","21.676","0.003","90","","94.652","0.002","90","","3512.5","0.9","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C27 H34 La N5 Ni O16 -","- C27 H34 La N5 Ni O16 -","- C108 H136 La4 N20 Ni4 O64 -","4","1","","Dong, Wen-Kui; Ma, Jian-Chun; Zhu, Li-Chun; Zhang, Yang","Nine self-assembled nickel(ii)–lanthanide(iii) heterometallic complexes constructed from a Salamo-type bisoxime and bearing a N- or O-donor auxiliary ligand: syntheses, structures and magnetic properties","New J. Chem.","2016","40","8","6998","","10.1039/C6NJ00855K","","","0.71073","MoKα","","0.0476","0.0344","","","0.0921","0.1204","","","","","","1.091","","","","has coordinates","278046","2022-09-21","15:45:42",""
"7055618","11.4571","0.0015","12.3081","0.0017","12.5899","0.0017","65.463","0.013","75.741","0.012","85.765","0.011","1564.5","0.4","173","","173","","","","","","","","","6","P -1","-P 1","2","","","","- C25 H26 Dy N5 Ni O14 -","- C25 H26 Dy N5 Ni O14 -","- C50 H52 Dy2 N10 Ni2 O28 -","2","1","","Dong, Wen-Kui; Ma, Jian-Chun; Zhu, Li-Chun; Zhang, Yang","Nine self-assembled nickel(ii)‒lanthanide(iii) heterometallic complexes constructed from a Salamo-type bisoxime and bearing a N- or O-donor auxiliary ligand: syntheses, structures and magnetic properties","New J. Chem.","2016","40","8","6998","","10.1039/C6NJ00855K","","x-ray","0.71073","MoKα","","0.0531","0.0418","","","0.0647","0.0714","","","","","","1","","","","has coordinates","185618","2020-10-21","18:00:00",""
"7055619","11.392","0.003","15.729","0.004","11.421","0.003","90","","115.83","0.003","90","","1842","0.8","296","2","296","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C29 H30 La N7 Ni O16 -","- C29 H30 La N7 Ni O16 -","- C58 H60 La2 N14 Ni2 O32 -","2","1","","Dong, Wen-Kui; Ma, Jian-Chun; Zhu, Li-Chun; Zhang, Yang","Nine self-assembled nickel(ii)‒lanthanide(iii) heterometallic complexes constructed from a Salamo-type bisoxime and bearing a N- or O-donor auxiliary ligand: syntheses, structures and magnetic properties","New J. Chem.","2016","40","8","6998","","10.1039/C6NJ00855K","","","0.71073","MoKα","","0.0638","0.0604","","","0.18","0.187","","","","","","1.135","","","","has coordinates","185618","2020-10-21","18:00:00",""
"7055620","10.2398","0.0004","20.6747","0.0007","15.2449","0.0005","90","","92.096","0.003","90","","3225.3","0.2","293","2","293","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C28 H26 N7 Ni O15 Tb -","- C28 H26 N7 Ni O15 Tb -","- C112 H104 N28 Ni4 O60 Tb4 -","4","1","","Dong, Wen-Kui; Ma, Jian-Chun; Zhu, Li-Chun; Zhang, Yang","Nine self-assembled nickel(ii)‒lanthanide(iii) heterometallic complexes constructed from a Salamo-type bisoxime and bearing a N- or O-donor auxiliary ligand: syntheses, structures and magnetic properties","New J. Chem.","2016","40","8","6998","","10.1039/C6NJ00855K","","x-ray","1.54184","CuKα","","0.0419","0.041","","","0.1026","0.1038","","","","","","1.078","","","","has coordinates,has disorder","185618","2020-10-21","18:00:00",""
"7055621","11.8105","0.0007","12.7474","0.0007","12.9606","0.0007","115.947","0.006","98.65","0.005","94.593","0.005","1711.1","0.2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C30 H29 Dy N6 Ni O14 -","- C30 H29 Dy N6 Ni O14 -","- C60 H58 Dy2 N12 Ni2 O28 -","2","1","","Dong, Wen-Kui; Ma, Jian-Chun; Zhu, Li-Chun; Zhang, Yang","Nine self-assembled nickel(ii)‒lanthanide(iii) heterometallic complexes constructed from a Salamo-type bisoxime and bearing a N- or O-donor auxiliary ligand: syntheses, structures and magnetic properties","New J. Chem.","2016","40","8","6998","","10.1039/C6NJ00855K","","x-ray","1.54184","CuKα","","0.0577","0.0494","","","0.1271","0.1334","","","","","","1.032","","","","has coordinates","185618","2020-10-21","18:00:00",""
"7055622","15.3389","0.0003","13.0476","0.0004","17.2529","0.0004","90","","97.2166","0.0018","90","","3425.57","0.15","293.42","0.1","293.42","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C52 H62 La2 N10 Ni2 O32 -","- C52 H62 La2 N10 Ni2 O32 -","- C104 H124 La4 N20 Ni4 O64 -","2","0.5","","Dong, Wen-Kui; Ma, Jian-Chun; Zhu, Li-Chun; Zhang, Yang","Nine self-assembled nickel(ii)‒lanthanide(iii) heterometallic complexes constructed from a Salamo-type bisoxime and bearing a N- or O-donor auxiliary ligand: syntheses, structures and magnetic properties","New J. Chem.","2016","40","8","6998","","10.1039/C6NJ00855K","","x-ray","0.71073","MoKα","","0.0599","0.0414","","","0.0781","0.0904","","","","","","1.061","","","","has coordinates","185618","2020-10-21","18:00:00",""
"7055623","15.1274","0.0007","12.9696","0.0007","17.1643","0.0008","90","","97.274","0.004","90","","3340.5","0.3","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C52 H62 Gd2 N10 Ni2 O32 -","- C52 H62 Gd2 N10 Ni2 O32 -","- C104 H124 Gd4 N20 Ni4 O64 -","2","0.5","","Dong, Wen-Kui; Ma, Jian-Chun; Zhu, Li-Chun; Zhang, Yang","Nine self-assembled nickel(ii)‒lanthanide(iii) heterometallic complexes constructed from a Salamo-type bisoxime and bearing a N- or O-donor auxiliary ligand: syntheses, structures and magnetic properties","New J. Chem.","2016","40","8","6998","","10.1039/C6NJ00855K","","x-ray","1.54184","CuKα","","0.0534","0.0423","","","0.1059","0.1152","","","","","","1.022","","","","has coordinates","185618","2020-10-21","18:00:00",""
"7055624","10.5724","0.0008","12.5483","0.0012","13.8671","0.0007","99.027","0.006","95.068","0.005","101.985","0.007","1763.3","0.2","296.71","0.1","296.71","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C50 H54 N10 Ni2 O30 Tb2 -","- C50 H54 N10 Ni2 O30 Tb2 -","- C50 H54 N10 Ni2 O30 Tb2 -","1","0.5","","Dong, Wen-Kui; Ma, Jian-Chun; Zhu, Li-Chun; Zhang, Yang","Nine self-assembled nickel(ii)‒lanthanide(iii) heterometallic complexes constructed from a Salamo-type bisoxime and bearing a N- or O-donor auxiliary ligand: syntheses, structures and magnetic properties","New J. Chem.","2016","40","8","6998","","10.1039/C6NJ00855K","","x-ray","0.71073","MoKα","","0.0545","0.04","","","0.0781","0.0851","","","","","","0.996","","","","has coordinates","185618","2020-10-21","18:00:00",""
"7055625","10.6782","0.0012","12.6632","0.0011","14.0108","0.0012","98.892","0.007","94.93","0.008","101.762","0.008","1818.9","0.3","293.33","0.1","293.33","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C50 H54 Dy2 N10 Ni2 O30 -","- C50 H54 Dy2 N10 Ni2 O30 -","- C50 H54 Dy2 N10 Ni2 O30 -","1","0.5","","Dong, Wen-Kui; Ma, Jian-Chun; Zhu, Li-Chun; Zhang, Yang","Nine self-assembled nickel(ii)‒lanthanide(iii) heterometallic complexes constructed from a Salamo-type bisoxime and bearing a N- or O-donor auxiliary ligand: syntheses, structures and magnetic properties","New J. Chem.","2016","40","8","6998","","10.1039/C6NJ00855K","","x-ray","0.71073","MoKα","","0.0489","0.0383","","","0.0777","0.0839","","","","","","0.996","","","","has coordinates","185618","2020-10-21","18:00:00",""
"7055626","12.0095","0.0011","13.3991","0.0012","24.2381","0.0019","90","","91.893","0.001","90","","3898.2","0.6","298","2","298","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C24 H44 F2 O8 Sn4 Te2 -","- C24 H44 F2 O8 Sn4 Te2 -","- C96 H176 F8 O32 Sn16 Te8 -","4","1","","Ma, Chunlin; Liu, Xinglong; Cheng, Shuang; Li, Qianli; Zhang, Rufen","A novel 4-fluorobenzenetelluronic trimethyltin ester: synthesis, characterization and in vitro cytotoxicity assessment","New J. Chem.","2016","40","8","6946","","10.1039/C6NJ00288A","","","0.71073","MoKα","","0.1085","0.0585","","","0.1383","0.176","","","","","","1.083","","","","has coordinates","185619","2020-10-21","18:00:00",""
"7055627","10.9312","0.0006","9.1547","0.0009","16.4772","0.0009","90","","93.129","0.005","90","","1646.4","0.2","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C21 H17 N O2 -","- C21 H17 N O2 -","- C84 H68 N4 O8 -","4","1","","Trišović, Nemanja; Antanasijević, Jelena; Rogan, Jelena; Poleti, Dejan; Tóth-Katona, Tibor; Salamonczyk, Miroslaw; Jákli, Antal; Fodor-Csorba, Katalin","Investigation of supramolecular architectures of bent-shaped pyridine derivatives: from a three-ring crystalline compound towards five-ring mesogens","New J. Chem.","2016","40","8","6977","","10.1039/C6NJ01515H","","x-ray","0.71073","MoKα","","0.1946","0.0975","","","0.1125","0.1352","","","","","","1.098","","","","has coordinates","185620","2020-10-21","18:00:00",""
"7055628","7.6659","0.0013","15.982","0.003","9.5235","0.0015","90","","92.263","0.008","90","","1165.9","0.3","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C28 H34 N4 -","- C28 H34 N4 -","- C56 H68 N8 -","2","0.5","","Zhang, Shaofei; Kim, Han-Je; Tang, Qun; Yang, Eunkyung; Bocian, David F.; Holten, Dewey; Lindsey, Jonathan S.","Synthesis and photophysical characteristics of 2,3,12,13-tetraalkylbacteriochlorins","New J. Chem.","2016","40","7","5942","","10.1039/C6NJ00517A","","","0.71073","MoKα","","0.0547","0.0436","","","0.1184","0.1251","","","","","","1.06","","","","has coordinates","185582","2020-10-21","18:00:00",""
"7055629","8.8305","0.0017","9.1614","0.0018","16.76","0.003","75.104","0.005","81.51","0.005","77.835","0.005","1274.6","0.4","101","2","101","2","","","","","","","","6","P 1","P 1","1","","","","- C45 H53 F12 N5 O12 S2 -","- C45 H53 F12 N5 O12 S2 -","- C45 H53 F12 N5 O12 S2 -","1","1","","Zdanowski, Szymon; Piątek, Piotr; Romański, Jan","An ion pair receptor facilitating the extraction of chloride salt from the aqueous to the organic phase","New J. Chem.","2016","40","8","7190","","10.1039/C6NJ01482H","","","0.71073","MoKα","","0.0248","0.0233","","","0.0552","0.0559","","","","","","1.039","","","","has coordinates","185612","2020-10-21","18:00:00",""
"7055630","8.8972","0.0005","11.12","0.0006","12.9995","0.0006","112.409","0.004","96.989","0.004","93.49","0.004","1172.08","0.11","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C19 H18 Cl N4 O7 Re S -","- C19 H18 Cl N4 O7 Re S -","- C38 H36 Cl2 N8 O14 Re2 S2 -","2","1","","Garcia, Camila Vargas; Parrilha, Gabrieli Lessa; Rodrigues, Bernardo Lages; Teixeira, Sarah Fernandes; de Azevedo, Ricardo Alexandre; Ferreira, Adilson Kleber; Beraldo, Heloisa","Tricarbonylrhenium(i) complexes with 2-acetylpyridine-derived hydrazones are cytotoxic to NCI-H460 human large cell lung cancer","New J. Chem.","2016","40","9","7379","","10.1039/C6NJ00050A","","","0.71073","MoKα","","0.0395","0.03","","","0.0676","0.072","","","","","","1.089","","","","has coordinates","186460","2020-10-21","18:00:00",""
"7055631","12.6872","0.0002","9.572","0.0002","14.983","0.0002","90","","98.3","0.002","90","","1800.51","0.05","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C17 H13 Cl N3 O4 Re -","- C17 H13 Cl N3 O4 Re -","- C68 H52 Cl4 N12 O16 Re4 -","4","1","","Garcia, Camila Vargas; Parrilha, Gabrieli Lessa; Rodrigues, Bernardo Lages; Teixeira, Sarah Fernandes; de Azevedo, Ricardo Alexandre; Ferreira, Adilson Kleber; Beraldo, Heloisa","Tricarbonylrhenium(i) complexes with 2-acetylpyridine-derived hydrazones are cytotoxic to NCI-H460 human large cell lung cancer","New J. Chem.","2016","40","9","7379","","10.1039/C6NJ00050A","","","0.71073","MoKα","","0.0343","0.0226","","","0.0615","0.0662","","","","","","1.211","","","","has coordinates","186460","2020-10-21","18:00:00",""
"7055632","8.7687","0.0004","11.1002","0.0005","12.9282","0.0005","113.002","0.004","97.163","0.004","93.603","0.004","1140.66","0.09","200","2","200","2","","","","","","","synthesis as described","7","P -1","-P 1","2","","","","- C19 H18 Cl2 N3 O5 Re S -","- C19 H18 Cl2 N3 O5 Re S -","- C38 H36 Cl4 N6 O10 Re2 S2 -","2","1","","Garcia, Camila Vargas; Parrilha, Gabrieli Lessa; Rodrigues, Bernardo Lages; Teixeira, Sarah Fernandes; de Azevedo, Ricardo Alexandre; Ferreira, Adilson Kleber; Beraldo, Heloisa","Tricarbonylrhenium(i) complexes with 2-acetylpyridine-derived hydrazones are cytotoxic to NCI-H460 human large cell lung cancer","New J. Chem.","2016","40","9","7379","","10.1039/C6NJ00050A","","x-ray","0.71073","MoKα","","0.0333","0.0255","","","0.0478","0.0508","","","","","","1.061","","","","has coordinates","186460","2020-10-21","18:00:00",""
"7055633","10.7683","0.0005","14.1119","0.0007","14.4106","0.0007","77.307","0.004","80.723","0.004","83.274","0.004","2100.79","0.18","295","","295","","","","","","","","","5","P -1","-P 1","2","","Complex 1","","- C50 H36 Cd2 N2 O10 -","- C50 H36 Cd2 N2 O10 -","- C100 H72 Cd4 N4 O20 -","2","1","","Liu, Xiaobin; Xiao, Zhenyu; Huang, Ao; Wang, Wen; Zhang, Liangliang; Wang, Rongming; Sun, Daofeng","Crystal structures, topological analysis and luminescence properties of three coordination polymers based on a semi-rigid ligand and N-donor ligand linkers","New J. Chem.","2016","40","7","5957","","10.1039/C6NJ00180G","","","0.71","MoKα","","0.1104","0.0801","","","0.1985","0.2137","","","","","","1.109","","","","has coordinates","185589","2020-10-21","18:00:00",""
"7055634","23.9468","0.001","9.1029","0.0003","26.8693","0.001","90","","116.161","0.005","90","","5257.1","0.4","295","","295","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C25 H16 N O4 Zn -","- C25 H16 N O4 Zn -","- C200 H128 N8 O32 Zn8 -","8","1","","Liu, Xiaobin; Xiao, Zhenyu; Huang, Ao; Wang, Wen; Zhang, Liangliang; Wang, Rongming; Sun, Daofeng","Crystal structures, topological analysis and luminescence properties of three coordination polymers based on a semi-rigid ligand and N-donor ligand linkers","New J. Chem.","2016","40","7","5957","","10.1039/C6NJ00180G","","","0.71","MoKα","","0.0545","0.0498","","","0.1424","0.1516","","","","","","1.048","","","","has coordinates","185589","2020-10-21","18:00:00",""
"7055635","12.8278","0.0003","11.4187","0.0003","19.1951","0.0005","90","","95.151","0.002","90","","2800.28","0.12","295","","295","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Complex 3","","- C32 H28 Co N4 O7 -","- C32 H28 Co N4 O7 -","- C128 H112 Co4 N16 O28 -","4","1","","Liu, Xiaobin; Xiao, Zhenyu; Huang, Ao; Wang, Wen; Zhang, Liangliang; Wang, Rongming; Sun, Daofeng","Crystal structures, topological analysis and luminescence properties of three coordination polymers based on a semi-rigid ligand and N-donor ligand linkers","New J. Chem.","2016","40","7","5957","","10.1039/C6NJ00180G","","x-ray","1.54184","CuKα","","0.0598","0.0499","","","0.1417","0.1488","","","","","","1.041","","","","has coordinates","185589","2020-10-21","18:00:00",""
"7055636","18.463","0.002","13.6212","0.0018","15.5388","0.0018","90","","92.291","0.013","90","","3904.7","0.8","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C31.5 H34.5 Cl2 N5 Ni2 O7.25 S -","- C31.5 H32 Cl2 N5 Ni2 O7.25 S -","- C126 H128 Cl8 N20 Ni8 O29 S4 -","4","1","","Sanyal, Ria; Zhang, Xuepeng; Chakraborty, Prateeti; Giri, Sanjib; Chattopadhyay, Shyamal Kumar; Zhao, Cunyuan; Das, Debasis","Role of solvent in the phosphatase activity of a dinuclear nickel(ii) complex of a Schiff base ligand: mechanistic interpretation by DFT studies","New J. Chem.","2016","40","9","7388","","10.1039/C6NJ01043A","","","0.71073","MoKα","","0.1552","0.0767","","","0.1767","0.203","","","","","","0.92","","","","has coordinates,has disorder","288193","2023-12-08","17:12:24",""
"7055637","15.331","0.003","15.527","0.004","14.982","0.004","90","","118.319","0.002","90","","3139.6","1.3","173.15","","173.15","","","","","","","","no","6","P 1 21/c 1","-P 2ybc","14","no","Ni5","","- C28 H37 Br2 N3 Ni O5 -","- C28 H37 Br2 N3 Ni O5 -","- C112 H148 Br8 N12 Ni4 O20 -","4","1","","Zhang, Jie; Liu, Shaofeng; Li, Antai; Ye, Hongqi; Li, Zhibo","Nickel(ii) complexes chelated by 2,6-pyridinedicarboxamide: syntheses, characterization, and ethylene oligomerization","New J. Chem.","2016","40","8","7027","","10.1039/C6NJ00559D","","","0.71073","MoKα","","0.0909","0.0806","","","0.1632","0.1684","","","","","","1.235","","","","has coordinates,has disorder","185611","2020-10-21","18:00:00",""
"7055638","14.859","0.003","16.766","0.004","16.883","0.004","90","","90","","90","","4206","1.6","173.15","","173.15","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C37 H57 Br2 N3 Ni O5 -","- C37 H57 Br2 N3 Ni O5 -","- C148 H228 Br8 N12 Ni4 O20 -","4","1","","Zhang, Jie; Liu, Shaofeng; Li, Antai; Ye, Hongqi; Li, Zhibo","Nickel(ii) complexes chelated by 2,6-pyridinedicarboxamide: syntheses, characterization, and ethylene oligomerization","New J. Chem.","2016","40","8","7027","","10.1039/C6NJ00559D","","","0.71073","MoKα","","0.0551","0.0483","","","0.0909","0.0954","","","","","","1.118","","","","has coordinates,has disorder","185611","2020-10-21","18:00:00",""
"7055639","9.2602","0.0006","7.3075","0.0004","22.2069","0.0012","90","","93.583","0.005","90","","1499.78","0.15","295","2","295","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","9-Carboxy-10-methylacridinium chloride dihydrate","","- C15 H16 Cl N O4 -","- C15 H16 Cl N O4 -","- C60 H64 Cl4 N4 O16 -","4","1","","Trzybiński, Damian; Zadykowicz, Beata; Wera, Michał; Serdiuk, Illia E.; Sieradzan, Andrzej; Sikorski, Artur; Storoniak, Piotr; Krzymiński, Karol","Structure, formation, thermodynamics and interactions in 9-carboxy-10-methylacridinium-based molecular systems","New J. Chem.","2016","40","9","7359","","10.1039/C6NJ00725B","","","0.71073","MoKα","","0.1125","0.0538","","","0.1196","0.1512","","","","","","0.981","","","","has coordinates","186461","2020-10-21","18:00:00",""
"7055640","8.2989","0.0009","9.0995","0.001","9.8014","0.0009","72.396","0.009","77.357","0.008","78.795","0.009","681.83","0.13","295","2","295","2","","","","","","","","6","P -1","-P 1","2","","Hydrogen bis(9-carboxy-10-methylacridinium) trifluoromethanesulfonate","","- C31 H23 F3 N2 O7 S -","- C31 H23 F3 N2 O7 S -","- C31 H23 F3 N2 O7 S -","1","0.5","","Trzybiński, Damian; Zadykowicz, Beata; Wera, Michał; Serdiuk, Illia E.; Sieradzan, Andrzej; Sikorski, Artur; Storoniak, Piotr; Krzymiński, Karol","Structure, formation, thermodynamics and interactions in 9-carboxy-10-methylacridinium-based molecular systems","New J. Chem.","2016","40","9","7359","","10.1039/C6NJ00725B","","","0.71073","MoKα","","0.0827","0.0436","","","0.0909","0.1072","","","","","","0.996","","","","has coordinates","186461","2020-10-21","18:00:00",""
"7055641","9.4378","0.0004","7.0489","0.0003","21.1972","0.0008","90","","97.158","0.004","90","","1399.18","0.1","110","2","110","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Hydrogen bis(9-carboxy-10-methylacridinium) chloride dihydrate","","- C30 H31 Cl N2 O8 -","- C30 H31 Cl N2 O8 -","- C60 H62 Cl2 N4 O16 -","2","0.5","","Trzybiński, Damian; Zadykowicz, Beata; Wera, Michał; Serdiuk, Illia E.; Sieradzan, Andrzej; Sikorski, Artur; Storoniak, Piotr; Krzymiński, Karol","Structure, formation, thermodynamics and interactions in 9-carboxy-10-methylacridinium-based molecular systems","New J. Chem.","2016","40","9","7359","","10.1039/C6NJ00725B","","","0.71073","MoKα","","0.0773","0.0684","","","0.2128","0.2259","","","","","","1.107","","","","has coordinates","186461","2020-10-21","18:00:00",""
"7055642","9.9481","0.0001","10.8651","0.0001","13.2427","0.0002","70.643","0.001","68.039","0.001","87.764","0.001","1246.55","0.03","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C31 H25 N3 O4 -","- C31 H25 N3 O4 -","- C62 H50 N6 O8 -","2","1","","Mathusalini, Sadasivam; Arasakumar, Thangaraj; Lakshmi, Krishnasamy; Lin, Chia-Her; Mohan, Palathurai Subramaniam; Ramnath, Madhusudhanan Gogul; Thirugnanasampandan, Ramaraj","Synthesis and biological evaluation of new spirooxindoles with embedded pharmacophores","New J. Chem.","2016","40","6","5164","","10.1039/C6NJ00534A","","","0.71073","MoKα","","0.0703","0.045","","","0.1054","0.12","","","","","","1.043","","","","has coordinates","183672","2020-10-21","18:00:00",""
"7055643","16.8955","0.0006","10.3515","0.0004","11.5475","0.0005","90","","90","","90","","2019.59","0.14","150","2","150","2","","","","","","","","6","C m c 21","C 2c -2","36","","dichlorido-bis[N-(4-methoxyphenyl)acetamide-O]-zinc(II)","","- C18 H22 Cl2 N2 O4 Zn -","- C18 H22 Cl2 N2 O4 Zn -","- C72 H88 Cl8 N8 O16 Zn4 -","4","0.5","","Sultana, Kishwar; Zaib, Sumera; Hassan Khan, Najm ul; Khan, Imtiaz; Shahid, Khadija; Simpson, Jim; Iqbal, Jamshed","Exploiting the potential of aryl acetamide derived Zn(ii) complexes in medicinal chemistry: synthesis, structural analysis, assessment of biological profile and molecular docking studies","New J. Chem.","2016","40","8","7084","","10.1039/C5NJ03531G","","","1.54178","CuKα","","0.0257","0.0256","","","0.0664","0.0665","","","","","","1.07","","","","has coordinates","185615","2020-10-21","18:00:00",""
"7055644","19.4113","0.0017","13.0587","0.0012","11.0459","0.001","90","","90","","90","","2800","0.4","150","2","150","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C18 H33 Cl6 N6 Sc -","- C18 H33 Cl6 N6 Sc -","- C72 H132 Cl24 N24 Sc4 -","4","1","","Champion, Martin J. D.; Levason, William; Pugh, David; Reid, Gillian","Hexahalometallate salts of trivalent scandium, yttrium and lanthanum: cation‒anion association in the solid state and in solution","New J. Chem.","2016","40","8","7181","","10.1039/C6NJ01068G","","","0.71073","MoKα","","0.029","0.0257","","","0.0626","0.0642","","","","","","1.023","","","","has coordinates","185601","2020-10-21","18:00:00",""
"7055645","19.58","0.002","13.0359","0.0015","11.1656","0.0013","90","","90","","90","","2849.9","0.5","100","2","100","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C18 H33 Cl6 N6 Y -","- C18 H33 Cl6 N6 Y -","- C72 H132 Cl24 N24 Y4 -","4","1","","Champion, Martin J. D.; Levason, William; Pugh, David; Reid, Gillian","Hexahalometallate salts of trivalent scandium, yttrium and lanthanum: cation‒anion association in the solid state and in solution","New J. Chem.","2016","40","8","7181","","10.1039/C6NJ01068G","","","0.71075","MoKα","","0.0429","0.0282","","","0.0454","0.0479","","","","","","0.797","","","","has coordinates","185601","2020-10-21","18:00:00",""
"7055646","15.492","0.003","12.549","0.002","14.708","0.003","90","","90.482","0.003","90","","2859.3","0.9","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H33 Ce Cl6 N6 -","- C18 H33 Ce Cl6 N6 -","- C72 H132 Ce4 Cl24 N24 -","4","1","","Champion, Martin J. D.; Levason, William; Pugh, David; Reid, Gillian","Hexahalometallate salts of trivalent scandium, yttrium and lanthanum: cation‒anion association in the solid state and in solution","New J. Chem.","2016","40","8","7181","","10.1039/C6NJ01068G","","","0.71073","MoKα","","0.0957","0.0644","","","0.1684","0.1867","","","","","","1.04","","","","has coordinates","185601","2020-10-21","18:00:00",""
"7055647","15.925","0.005","12.787","0.004","15.252","0.005","90","","90.588","0.005","90","","3105.6","1.7","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H33 Br6 La N6 -","- C18 H33 Br6 La N6 -","- C72 H132 Br24 La4 N24 -","4","1","","Champion, Martin J. D.; Levason, William; Pugh, David; Reid, Gillian","Hexahalometallate salts of trivalent scandium, yttrium and lanthanum: cation‒anion association in the solid state and in solution","New J. Chem.","2016","40","8","7181","","10.1039/C6NJ01068G","","","0.71073","MoKα","","0.1156","0.0818","","","0.1337","0.1475","","","","","","1.145","","","","has coordinates","185601","2020-10-21","18:00:00",""
"7055648","18.803","0.007","11.1325","0.0015","17.017","0.002","90","","102.162","0.007","90","","3482.1","1.4","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H33 I6 La N6 -","- C18 H33 I6 La N6 -","- C72 H132 I24 La4 N24 -","4","1","","Champion, Martin J. D.; Levason, William; Pugh, David; Reid, Gillian","Hexahalometallate salts of trivalent scandium, yttrium and lanthanum: cation‒anion association in the solid state and in solution","New J. Chem.","2016","40","8","7181","","10.1039/C6NJ01068G","","","0.71073","MoKα","","0.0357","0.0308","","","0.0752","0.0775","","","","","","1.073","","","","has coordinates","185601","2020-10-21","18:00:00",""
"7055649","9.917","0.0008","16.2743","0.0012","19.0282","0.0016","90","","99.973","0.001","90","","3024.6","0.4","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C21 H39 Cl6 N6 Y -","- C21 H39 Cl6 N6 Y -","- C84 H156 Cl24 N24 Y4 -","4","1","","Champion, Martin J. D.; Levason, William; Pugh, David; Reid, Gillian","Hexahalometallate salts of trivalent scandium, yttrium and lanthanum: cation‒anion association in the solid state and in solution","New J. Chem.","2016","40","8","7181","","10.1039/C6NJ01068G","","","0.71073","MoKα","","0.0393","0.0278","","","0.064","0.0674","","","","","","1.028","","","","has coordinates","185601","2020-10-21","18:00:00",""
"7055650","10.0265","0.0017","16.306","0.002","19.133","0.003","90","","99.265","0.003","90","","3087.3","0.8","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C21 H39 Cl6 La N6 -","- C21 H39 Cl6 La N6 -","- C84 H156 Cl24 La4 N24 -","4","1","","Champion, Martin J. D.; Levason, William; Pugh, David; Reid, Gillian","Hexahalometallate salts of trivalent scandium, yttrium and lanthanum: cation‒anion association in the solid state and in solution","New J. Chem.","2016","40","8","7181","","10.1039/C6NJ01068G","","","0.71073","MoKα","","0.0264","0.0229","","","0.0552","0.0566","","","","","","1.078","","","","has coordinates","185601","2020-10-21","18:00:00",""
"7055651","10.347","0.002","11.075","0.003","16.577","0.003","92.594","0.003","90.255","0.003","106.93","0.004","1815.1","0.7","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C21 H39 I6 La N6 -","- C21 H39 I6 La N6 -","- C42 H78 I12 La2 N12 -","2","1","","Champion, Martin J. D.; Levason, William; Pugh, David; Reid, Gillian","Hexahalometallate salts of trivalent scandium, yttrium and lanthanum: cation‒anion association in the solid state and in solution","New J. Chem.","2016","40","8","7181","","10.1039/C6NJ01068G","","","0.71073","MoKα","","0.0209","0.0189","","","0.0412","0.0421","","","","","","0.984","","","","has coordinates","185601","2020-10-21","18:00:00",""
"7055652","9.5496","0.0007","11.3126","0.0008","18.048","0.0013","80.204","0.005","86.141","0.005","89.079","0.005","1916.9","0.2","115","","115","","","","","","","","","4","P -1","-P 1","2","","","","- C25 H23 N O -","- C25 H23 N O -","- C100 H92 N4 O4 -","4","2","","Aich, Krishnendu; Das, Sangita; Goswami, Shyamaprosad; Quah, Ching Kheng; Sarkar, Deblina; Mondal, Tapan Kumar; Fun, Hoong-Kun","Carbazole‒benzimidazole based dyes for acid responsive ratiometric emissive switches","New J. Chem.","2016","40","8","6907","","10.1039/C6NJ00063K","","","0.71073","MoKα","","0.1995","0.0978","","","0.2593","0.3269","","","","","","1.052","","","","has coordinates,has disorder","185609","2020-10-21","18:00:00",""
"7055653","9.7031","0.0013","11.7775","0.0014","31.57","0.004","90","","95.921","0.002","90","","3588.5","0.8","294","2","294","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C23 H21 N O -","- C23 H21 N O -","- C184 H168 N8 O8 -","8","2","","Aich, Krishnendu; Das, Sangita; Goswami, Shyamaprosad; Quah, Ching Kheng; Sarkar, Deblina; Mondal, Tapan Kumar; Fun, Hoong-Kun","Carbazole‒benzimidazole based dyes for acid responsive ratiometric emissive switches","New J. Chem.","2016","40","8","6907","","10.1039/C6NJ00063K","","","0.71073","MoKα","","0.1041","0.0609","","","0.1697","0.2021","","","","","","1.038","","","","has coordinates,has disorder","185609","2020-10-21","18:00:00",""
"7055654","13.244","0.005","13.546","0.005","14.691","0.005","74.1","0.005","69.748","0.005","65.588","0.005","2225","1.4","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C30 H92 Mo12 N10 Ni O73 P8 -","- C30 H64 Mo12 N10 Ni O73 P8 -","- C30 H64 Mo12 N10 Ni O73 P8 -","1","0.5","","Paul, Luna; Dolai, Malay; Panja, Anangamohan; Ali, Mahammad","Hydrothermal synthesis of two supramolecular inorganic‒organic hybrid phosphomolybdates based on Ni(ii) and Co(ii) ions: structural diversity and heterogeneous catalytic activities","New J. Chem.","2016","40","8","6931","","10.1039/C6NJ00440G","","","0.71073","MoKα","","0.0341","0.0318","","","0.0896","0.0912","","","","","","1.049","","","","has coordinates,has disorder","185617","2020-10-21","18:00:00",""
"7055655","28.086","0.004","9.744","0.002","18.685","0.003","90","","126.78","0.005","90","","4095.6","1.2","293","2","293","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C12 H52 Co Mo5 N4 O35 P2 -","- C12 H52 Co Mo5 N4 O35 P2 -","- C48 H208 Co4 Mo20 N16 O140 P8 -","4","0.5","","Paul, Luna; Dolai, Malay; Panja, Anangamohan; Ali, Mahammad","Hydrothermal synthesis of two supramolecular inorganic‒organic hybrid phosphomolybdates based on Ni(ii) and Co(ii) ions: structural diversity and heterogeneous catalytic activities","New J. Chem.","2016","40","8","6931","","10.1039/C6NJ00440G","","","0.71073","MoKα","","0.0998","0.0619","","","0.1285","0.1545","","","","","","1.079","","","","has coordinates","185617","2020-10-21","18:00:00",""
"7055656","8.3169","0.0004","10.5724","0.0004","29.2702","0.0011","90","","96.188","0.002","90","","2558.72","0.18","150","2","150","2","","","","","","","synthesis as described","5","P 1 21 1","P 2yb","4","","","","- C18 H24 Au O4 S8 -","- C18 H24 Au O4 S8 -","- C72 H96 Au4 O16 S32 -","4","2","","Le Pennec, Ronan; Jeannin, Olivier; Auban-Senzier, Pascale; Fourmigué, Marc","Chiral, radical, gold bis(dithiolene) complexes","New J. Chem.","2016","40","8","7113","","10.1039/C6NJ01177B","","x-ray","0.71073","MoKα","","0.0526","0.0373","","","0.0805","0.0883","","","","","","0.797","","","","has coordinates","185604","2020-10-21","18:00:00",""
"7055657","8.2523","0.0005","12.0142","0.0006","19.6329","0.0008","90","","99.125","0.004","90","","1921.87","0.17","293","2","293","2","","","","","","","synthesis as described","4","P 1 21/m 1","-P 2yb","11","","","","- C12 H12 Au S10 -","- C12 H12 Au S10 -","- C48 H48 Au4 S40 -","4","1","","Le Pennec, Ronan; Jeannin, Olivier; Auban-Senzier, Pascale; Fourmigué, Marc","Chiral, radical, gold bis(dithiolene) complexes","New J. Chem.","2016","40","8","7113","","10.1039/C6NJ01177B","","x-ray","0.71073","MoKα","","0.0967","0.0555","","","0.1051","0.1198","","","","","","1.083","","","","has coordinates,has disorder","185604","2020-10-21","18:00:00",""
"7055658","13.6322","0.0006","13.9463","0.0004","20.562","0.0008","90","","101.23","0.002","90","","3834.4","0.3","150","2","150","2","","","","","","","synthesis as described","5","P 1 21 1","P 2yb","4","","","","- C30 H56 Au N S8 -","- C30 H56 Au N S8 -","- C120 H224 Au4 N4 S32 -","4","2","","Le Pennec, Ronan; Jeannin, Olivier; Auban-Senzier, Pascale; Fourmigué, Marc","Chiral, radical, gold bis(dithiolene) complexes","New J. Chem.","2016","40","8","7113","","10.1039/C6NJ01177B","","x-ray","0.71073","MoKα","","0.0473","0.0383","","","0.0815","0.0867","","","","","","0.743","","","","has coordinates","185604","2020-10-21","18:00:00",""
"7055659","11.0845","0.0003","29.8343","0.0007","17.4548","0.0004","90","","104.412","0.001","90","","5590.6","0.2","150","2","150","2","","","","","","","synthesis as described","7","P 1 21 1","P 2yb","4","","","","- C39 H69 Au Cl6 N O4 S8 -","- C39 H69 Au Cl6 N O4 S8 -","- C156 H276 Au4 Cl24 N4 O16 S32 -","4","2","","Le Pennec, Ronan; Jeannin, Olivier; Auban-Senzier, Pascale; Fourmigué, Marc","Chiral, radical, gold bis(dithiolene) complexes","New J. Chem.","2016","40","8","7113","","10.1039/C6NJ01177B","","x-ray","0.71073","MoKα","","0.0974","0.0774","","","0.1722","0.1803","","","","","","1.11","","","","has coordinates","185604","2020-10-21","18:00:00",""
"7055660","17.4652","0.0014","10.836","0.0009","17.7614","0.0013","90","","90.474","0.004","90","","3361.3","0.5","150","2","150","2","","","","","","","synthesis as described","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H48 Au N S8 -","- C26 H48 Au N S8 -","- C104 H192 Au4 N4 S32 -","4","1","","Le Pennec, Ronan; Jeannin, Olivier; Auban-Senzier, Pascale; Fourmigué, Marc","Chiral, radical, gold bis(dithiolene) complexes","New J. Chem.","2016","40","8","7113","","10.1039/C6NJ01177B","","x-ray","0.71073","MoKα","","0.0248","0.0202","","","0.0448","0.0462","","","","","","1.016","","","","has coordinates","185604","2020-10-21","18:00:00",""
"7055661","8.8493","0.0013","13.631","0.002","40.617","0.006","90","","95.482","0.003","90","","4877","1.2","296","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","[Fe(ptpy)(Hptpy)](PF6)3","(4' - (4-pyridyl) - 22,';6',2""-terpyridine)(4' - (4-pyridinium) - 22,';6',2""-terpyridine)iron(II) hexaflurophosphate","","- C44 H35 F18 Fe N10 P3 -","- C44 H35 F18 Fe N10 P3 -","- C176 H140 F72 Fe4 N40 P12 -","4","1","","Jacob, Geevarghese Vadakken; Sutradhar, Sanjeeb; Patnaik, Archita","Proton switching as a driving force for the metal‒organic complex-mediated growth of gold colloids","New J. Chem.","2016","40","9","7431","","10.1039/C6NJ01380E","","","0.71073","MoKα","","0.15","0.082","","","0.1667","0.1925","","","","","","1.07","","","","has coordinates,has disorder","186458","2020-10-21","18:00:00",""
"7055662","16.3977","0.0005","8.3891","0.0003","29.1772","0.0009","90","","90","","90","","4013.7","0.2","100","2","100","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","1-(3-ammoniopropyl)-4-[(E)-2-(4-nitrophenyl)vinyl]pyridinium diperchlorate, hydrate","","- C16 H19.5 Cl2 N3 O10.25 -","- C16 H19 Cl2 N3 O10.25 -","- C128 H152 Cl16 N24 O82 -","8","1","","Gromov, Sergey P.; Vedernikov, Artem I.; Sazonov, Sergey K.; Kuz’mina, Lyudmila G.; Lobova, Natalia A.; Strelenko, Yuri A.; Howard, Judith A. K.","Synthesis, structure, and stereospecific cross-[2+2] photocycloaddition of pseudodimeric complexes based on ammonioalkyl derivatives of styryl dyes","New J. Chem.","2016","40","9","7542","","10.1039/C5NJ03500G","","","1.54178","CuKα","","0.0841","0.0588","","","0.1064","0.1179","","","","","","1.035","","","","has coordinates,has disorder","186459","2020-10-21","18:00:00",""
"7055663","7.9257","0.0005","11.427","0.0007","19.6257","0.001","100.1","0.002","100.108","0.002","93.581","0.002","1714.75","0.18","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","2-[(E)-2-(2,3,5,6,8,9,11,12,14,15-decahydro-1,4,7,10,13,16-benzohexaoxacyclooctadecin-18-yl)vinyl]-3-ethyl-1,3-benzothiazol-3-ium perchlorate, dioxane and water solvate","","- C31 H48 Cl N O15 S -","- C31 H48 Cl N O15 S -","- C62 H96 Cl2 N2 O30 S2 -","2","1","","Gromov, Sergey P.; Vedernikov, Artem I.; Sazonov, Sergey K.; Kuz’mina, Lyudmila G.; Lobova, Natalia A.; Strelenko, Yuri A.; Howard, Judith A. K.","Synthesis, structure, and stereospecific cross-[2+2] photocycloaddition of pseudodimeric complexes based on ammonioalkyl derivatives of styryl dyes","New J. Chem.","2016","40","9","7542","","10.1039/C5NJ03500G","","","0.71073","MoKα","","0.1282","0.0578","","","0.116","0.1381","","","","","","0.875","","","","has coordinates","186459","2020-10-21","18:00:00",""
"7055664","37.878","0.008","16.492","0.003","35.71","0.007","90","","106.404","0.003","90","","21399","7","120","2","120","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","complex between 1-(3-ammoniopropyl)-4-{(E)-2-[4-(methylthio)-phenyl]vinyl}pyridinium diperchlorate and 4-[(E)-2-(2,3,5,6,8,9,11,12,14,15-decahydro-1,4,7,10,13,16-benzohexaoxacyclooctadecin-18-yl)vinyl]-1-ethylpyridiniumperchlorate, benzene and water solvate","","- C46.2 H61.6 Cl3 N3 O18.7 S -","- C46.2 H60.2 Cl3 N3 O18.7 S -","- C739.2 H963.2 Cl48 N48 O299.2 S16 -","16","2","","Gromov, Sergey P.; Vedernikov, Artem I.; Sazonov, Sergey K.; Kuz’mina, Lyudmila G.; Lobova, Natalia A.; Strelenko, Yuri A.; Howard, Judith A. K.","Synthesis, structure, and stereospecific cross-[2+2] photocycloaddition of pseudodimeric complexes based on ammonioalkyl derivatives of styryl dyes","New J. Chem.","2016","40","9","7542","","10.1039/C5NJ03500G","","","0.71073","MoKα","","0.3957","0.1843","","","0.4584","0.5145","","","","","","1.18","","","","has coordinates,has disorder","186459","2020-10-21","18:00:00",""
"7055665","10.7742","0.0007","12.9619","0.0009","19.5026","0.0014","74.87","0.003","74.856","0.003","80.051","0.003","2521.9","0.3","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","complex between 1-(3-ammoniopropyl)-4-[(E)-2-(4-nitrophenyl)-vinyl]pyridinium diperchlorate and 4-[(E)-2-(2,3,5,6,8,9,11,12,14,15-decahydro-1,4,7,10,13,16-benzohexaoxacyclooctadecin-18-yl)vinyl]-1-ethylpyridinium perchlorate, benzene and water solvate","","- C44 H60 Cl3 N4 O22 -","- C44 H56 Cl3 N4 O22 -","- C88 H112 Cl6 N8 O44 -","2","1","","Gromov, Sergey P.; Vedernikov, Artem I.; Sazonov, Sergey K.; Kuz’mina, Lyudmila G.; Lobova, Natalia A.; Strelenko, Yuri A.; Howard, Judith A. K.","Synthesis, structure, and stereospecific cross-[2+2] photocycloaddition of pseudodimeric complexes based on ammonioalkyl derivatives of styryl dyes","New J. Chem.","2016","40","9","7542","","10.1039/C5NJ03500G","","","0.71073","MoKα","","0.1943","0.0715","","","0.1605","0.1942","","","","","","0.873","","","","has coordinates,has disorder","186459","2020-10-21","18:00:00",""
"7055666","14.0228","0.0009","18.0075","0.0011","22.8626","0.0014","90","","90","","90","","5773.2","0.6","120","2","120","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","1-(3-ammoniopropyl)-4-r-[2-c-(2,3,5,6,8,9,11,12,14,15-decahydro-1,4,7,10,13,16-benzohexaoxacyclooctadecin-18-yl)-3-t-(1-ethylpyridinium-4-yl)-4-t-(4-methoxyphenyl)cyclobutyl]pyridinium triperchlorate, benzene and acetonitrile and water solvate","","- C55.5 H70.75 Cl3 N3.75 O19.25 -","- C55.5 H70.25 Cl3 N3.75 O19.25 -","- C222 H281 Cl12 N15 O77 -","4","1","","Gromov, Sergey P.; Vedernikov, Artem I.; Sazonov, Sergey K.; Kuz’mina, Lyudmila G.; Lobova, Natalia A.; Strelenko, Yuri A.; Howard, Judith A. K.","Synthesis, structure, and stereospecific cross-[2+2] photocycloaddition of pseudodimeric complexes based on ammonioalkyl derivatives of styryl dyes","New J. Chem.","2016","40","9","7542","","10.1039/C5NJ03500G","","","0.71073","MoKα","","0.2217","0.0818","","","0.1411","0.173","","","","","","0.898","","","","has coordinates,has disorder","186459","2020-10-21","18:00:00",""
"7055667","14.1703","0.0007","10.6446","0.0005","21.0933","0.001","90","","107.068","0.005","90","","3041.5","0.3","298","2","298","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C72 H54 Ag2 F4 P4 S2 -","- C72 H54 Ag2 F4 P4 S2 -","- C144 H108 Ag4 F8 P8 S4 -","2","0.5","","Moreno-Alcántar, Guillermo; Nácar-Anaya, Antonio; Flores-Álamo, Marcos; Torrens, Hugo","Luminescent diphosphine fluorophenylthiolate silver(i) compounds that exhibit argentophilic interactions","New J. Chem.","2016","40","8","6577","","10.1039/C6NJ00984K","","","0.71073","MoKα","","0.0842","0.0403","","","0.064","0.078","","","","","","1.017","","","","has coordinates,has disorder","185614","2020-10-21","18:00:00",""
"7055668","13.8314","0.0008","13.9584","0.0012","18.061","0.0011","73.771","0.006","78.567","0.005","63.638","0.007","2988.7","0.4","130","2","130","2","","","","","","","","6","P -1","-P 1","2","","","","- C72 H54 Ag2 F4 P4 S2 -","- C72 H54 Ag2 F4 P4 S2 -","- C144 H108 Ag4 F8 P8 S4 -","2","1","","Moreno-Alcántar, Guillermo; Nácar-Anaya, Antonio; Flores-Álamo, Marcos; Torrens, Hugo","Luminescent diphosphine fluorophenylthiolate silver(i) compounds that exhibit argentophilic interactions","New J. Chem.","2016","40","8","6577","","10.1039/C6NJ00984K","","","0.71073","MoKα","","0.0452","0.0319","","","0.065","0.0723","","","","","","1.052","","","","has coordinates","185614","2020-10-21","18:00:00",""
"7055669","11.7331","0.0004","11.9626","0.0004","21.2821","0.0006","92.527","0.002","92.533","0.002","102.148","0.003","2913.02","0.17","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C64 H50 Ag2 F4 P4 S2 -","- C64 H50 Ag2 F4 P4 S2 -","- C128 H100 Ag4 F8 P8 S4 -","2","1","","Moreno-Alcántar, Guillermo; Nácar-Anaya, Antonio; Flores-Álamo, Marcos; Torrens, Hugo","Luminescent diphosphine fluorophenylthiolate silver(i) compounds that exhibit argentophilic interactions","New J. Chem.","2016","40","8","6577","","10.1039/C6NJ00984K","","","0.71073","MoKα","","0.0643","0.0371","","","0.0696","0.0814","","","","","","1.031","","","","has coordinates","185614","2020-10-21","18:00:00",""
"7055670","11.8531","0.0007","11.9647","0.0007","12.1327","0.0007","64.18","0.005","65.204","0.006","81.877","0.005","1404.27","0.17","130","2","130","2","","","","","","","","6","P -1","-P 1","2","","","","- C64 H50 Ag2 F4 P4 S2 -","- C64 H50 Ag2 F4 P4 S2 -","- C64 H50 Ag2 F4 P4 S2 -","1","0.5","","Moreno-Alcántar, Guillermo; Nácar-Anaya, Antonio; Flores-Álamo, Marcos; Torrens, Hugo","Luminescent diphosphine fluorophenylthiolate silver(i) compounds that exhibit argentophilic interactions","New J. Chem.","2016","40","8","6577","","10.1039/C6NJ00984K","","","0.71073","MoKα","","0.0262","0.0226","","","0.0566","0.0587","","","","","","1.096","","","","has coordinates","185614","2020-10-21","18:00:00",""
"7055671","8.779","0.0018","13.826","0.003","17.18","0.003","83.27","0.03","83.26","0.03","88.18","0.03","2056.3","0.7","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C19.5 H21 Br2 N3 O0.5 Zn -","- C19.5 H21 Br2 N3 O0.5 Zn -","- C78 H84 Br8 N12 O2 Zn4 -","4","2","","Zhang, Yong-Po; Ma, Zhong-Ying; Gao, Chun-Yan; Qiao, Xin; Tian, Jin-Lei; Gu, Wen; Liu, Xin; Xu, Jing-Yuan; Zhao, Jin-Zhong; Yan, Shi-Ping","Two dpa-based zinc(ii) complexes as potential anticancer agents: nuclease activity, cytotoxicity and apoptosis studies","New J. Chem.","2016","40","9","7513","","10.1039/C6NJ00346J","","","0.71073","MoKα","","0.1318","0.0685","","","0.1283","0.1547","","","","","","0.986","","","","has coordinates","192220","2020-10-21","18:00:00",""
"7055672","8.58","0.0017","13.601","0.003","16.75","0.003","84.1","0.03","84.02","0.03","89.49","0.03","1933.7","0.7","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C19.5 H21 Cl2 N3 O0.5 Zn -","- C19.5 H21 Cl2 N3 O0.5 Zn -","- C78 H84 Cl8 N12 O2 Zn4 -","4","2","","Zhang, Yong-Po; Ma, Zhong-Ying; Gao, Chun-Yan; Qiao, Xin; Tian, Jin-Lei; Gu, Wen; Liu, Xin; Xu, Jing-Yuan; Zhao, Jin-Zhong; Yan, Shi-Ping","Two dpa-based zinc(ii) complexes as potential anticancer agents: nuclease activity, cytotoxicity and apoptosis studies","New J. Chem.","2016","40","9","7513","","10.1039/C6NJ00346J","","","0.71073","MoKα","","0.1127","0.0755","","","0.1653","0.1876","","","","","","1.06","","","","has coordinates","192220","2020-10-21","18:00:00",""
"7055673","11.813","0.002","12.191","0.002","13.301","0.003","89.36","0.03","87.62","0.03","78.82","0.03","1877.5","0.6","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C19 H19 Cl N3 O1.5 -","- C19 H19 Cl N3 O1.5 -","- C76 H76 Cl4 N12 O6 -","4","2","","Zhang, Yong-Po; Ma, Zhong-Ying; Gao, Chun-Yan; Qiao, Xin; Tian, Jin-Lei; Gu, Wen; Liu, Xin; Xu, Jing-Yuan; Zhao, Jin-Zhong; Yan, Shi-Ping","Two dpa-based zinc(ii) complexes as potential anticancer agents: nuclease activity, cytotoxicity and apoptosis studies","New J. Chem.","2016","40","9","7513","","10.1039/C6NJ00346J","","","0.71073","MoKα","","0.1165","0.0805","","","0.1949","0.2168","","","","","","1.124","","","","has coordinates","194155","2020-10-21","18:00:00",""
"7055674","12.925","0.013","7.971","0.008","9.546","0.01","90","","90","","90","","983.5","1.7","296","2","296","2","","","","","","","","7","P n m a","-P 2ac 2n","62","","","","- F6 H6 N Na3 O5 S Ti -","- F6 H6 N Na3 O5 S Ti -","- F24 H24 N4 Na12 O20 S4 Ti4 -","4","0.5","","Xu, Dongdong; Zhang, Fangfang; Sun, Yanzhou; Yang, Zhihua; Dong, Xiaoyu; Pan, Shilie","Hydrogen bond-assisted crystallization: structure, growth and characterization of a new mixed-anion transition metal fluoride Na3NH4(TiF6)(SO4)·H2O","New J. Chem.","2016","40","9","7407","","10.1039/C6NJ01358A","","","0.71073","MoKα","","0.039","0.0315","","","0.0798","0.0843","","","","","","1.078","","","","has coordinates","186470","2020-10-21","18:00:00",""
"7055675","14.057","0.007","14.017","0.007","16.702","0.009","90","","100.938","0.009","90","","3231","3","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","[Zn2(oPDA)2]","","- C14 H6 N2 O8 Zn2 -","- C14 H6 N2 O8 Zn2 -","- C112 H48 N16 O64 Zn16 -","8","1","","Huang, Yong-Qing; Wan, Yi; Chen, Huai-Ying; Wang, Yang; Zhao, Yue; Xiao, Xin-Feng","Construction of metal‒organic coordination networks with various metal-linker secondary building units: structures and properties","New J. Chem.","2016","40","9","7587","","10.1039/C6NJ01231K","","","0.71073","MoKα","","0.0777","0.0401","","","0.0924","0.1083","","","","","","1.002","","","","has coordinates","186471","2020-10-21","18:00:00",""
"7055676","12.9099","0.0017","12.9099","0.0017","25.375","0.004","90","","90","","120","","3662.5","0.9","296","2","296","2","","","","","","","","7","R -3 :H","-R 3","148","","","","- C42 H18 Ca Cl2 N6 O24 Pb6 -","- C42 H18 Ca Cl2 N6 O24 Pb6 -","- C126 H54 Ca3 Cl6 N18 O72 Pb18 -","3","0.166667","","Huang, Yong-Qing; Wan, Yi; Chen, Huai-Ying; Wang, Yang; Zhao, Yue; Xiao, Xin-Feng","Construction of metal‒organic coordination networks with various metal-linker secondary building units: structures and properties","New J. Chem.","2016","40","9","7587","","10.1039/C6NJ01231K","","","0.71073","MoKα","","0.0521","0.0487","","","0.0971","0.0984","","","","","","1.08","","","","has coordinates","186471","2020-10-21","18:00:00",""
"7055677","15.6115","0.0009","15.6115","0.0009","15.1842","0.0012","90","","90","","120","","3204.9","0.4","296","2","296","2","","","","","","","","6","P 6/m c c","-P 6 2c","192","","[CeMg1.5(oPDA)3(H2O)3]-3.5H2O","","- C21 H22 Ce Mg1.5 N3 O18.5 -","- C21 H18 Ce Mg1.5 N3 O18.5 -","- C84 H72 Ce4 Mg6 N12 O74 -","4","0.166667","","Huang, Yong-Qing; Wan, Yi; Chen, Huai-Ying; Wang, Yang; Zhao, Yue; Xiao, Xin-Feng","Construction of metal‒organic coordination networks with various metal-linker secondary building units: structures and properties","New J. Chem.","2016","40","9","7587","","10.1039/C6NJ01231K","","","0.71073","MoKα","","0.0282","0.025","","","0.0921","0.0947","","","","","","1.243","","","","has coordinates","186471","2020-10-21","18:00:00",""
"7055678","8.2782","0.0002","7.7779","0.0002","23.1597","0.0006","90","","99.957","0.002","90","","1468.72","0.06","296","2","296","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C17 H18 N2 -","- C17 H18 N2 -","- C68 H72 N8 -","4","1","","Peddarao, Thota; Baishya, Ashim; Barman, Milan Kr.; Kumar, Ajay; Nembenna, Sharanappa","Metal-free access of bulky N,N′-diarylcarbodiimides and their reduction: bulky N,N′-diarylformamidines","New J. Chem.","2016","40","9","7627","","10.1039/C6NJ00907G","","","0.71073","MoKα","","0.0814","0.0534","","","0.1783","0.2029","","","","","","1.199","","","","has coordinates","186473","2020-10-21","18:00:00",""
"7055679","16.202","0.002","7.6187","0.0011","20.676","0.003","90","","90","","90","","2552.2","0.6","293","2","293","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","1,3-dibromo-2-phenyl-1H-indene","","- C15 H10 Br2 -","- C15 H10 Br2 -","- C120 H80 Br16 -","8","1","","Singha, Raju; Ghosh, Munmun; Das, Saikat; Das, Dhiraj; Ray, Jayanta K.","Synthesis of 1,3-dibromo-2-aryl-1H-indenes via NBS mediated unusual bromination of 2-alkynylbenzaldoximes","New J. Chem.","2016","40","9","7269","","10.1039/C6NJ01201A","","","0.71073","MoKα","","0.0543","0.0292","","","0.0623","0.0733","","","","","","1.001","","","","has coordinates","186457","2020-10-21","18:00:00",""
"7055680","11.2417","0.0007","18.3142","0.0011","22.6389","0.0013","90","","101.822","0.006","90","","4562.1","0.5","120","2","120","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","1- Ni-tpmc_binuclear complex","[Ni2(tpmc)(?-NO3)](NO3)3 (H2O)2","","- C34 H54 Li N13 Ni2 O20 -","- C34 H54 Li N13 Ni2 O20 -","- C136 H216 Li4 N52 Ni8 O80 -","4","1","","Ruiz-Herrera, Brenda Lizette; Flores-Álamo, Marcos; Toscano, Rubén Alfredo; Escudero, Roberto; Sosa-Torres, Martha Elena","Adsorption of water induces a reversible structural phase transition and colour change in new nickel(ii) macrocyclic complexes forming flexible supramolecular networks","New J. Chem.","2016","40","9","7465","","10.1039/C6NJ01621A","","","0.71073","MoKα","","0.0825","0.0586","","","0.147","0.1661","","","","","","1.04","","","","has coordinates","186466","2020-10-21","18:00:00",""
"7055681","11.2964","0.0008","18.8819","0.0014","20.7624","0.0013","87.453","0.005","89.238","0.004","83.96","0.005","4399.5","0.5","298","2","298","2","","","","","","","","6","P 1","P 1","1","2- Ni-tpmc-binuclear complex","[Ni2(tpmc)(?-NO3)](NO3)3 (H2O)2.3H2O","","- C68 H108 Li2 N24 Ni4 O35.5 -","- C68 H108 Li2 N24 Ni4 O35.5 -","- C136 H216 Li4 N48 Ni8 O71 -","2","2","","Ruiz-Herrera, Brenda Lizette; Flores-Álamo, Marcos; Toscano, Rubén Alfredo; Escudero, Roberto; Sosa-Torres, Martha Elena","Adsorption of water induces a reversible structural phase transition and colour change in new nickel(ii) macrocyclic complexes forming flexible supramolecular networks","New J. Chem.","2016","40","9","7465","","10.1039/C6NJ01621A","","","0.71073","MoKα","","0.0846","0.0626","","","0.1556","0.1705","","","","","","1.017","","","","has coordinates","192220","2020-10-21","18:00:00",""
"7055682","6.4175","0.0007","9.9444","0.0011","21.244","0.002","90","","91.437","0.002","90","","1355.3","0.2","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H16 Co N10 O16 -","- C18 H16 Co N10 O16 -","- C36 H32 Co2 N20 O32 -","2","0.5","","Yang, Qi; Ge, Jing; Gong, Qibing; Song, Xiaxia; Zhao, Jinwen; Wei, Qing; Xie, Gang; Chen, Sanping; Gao, Shengli","Two energetic complexes incorporating 3,5-dinitrobenzoic acid and azole ligands: microwave-assisted synthesis, favorable detonation properties, insensitivity and effects on the thermal decomposition of RDX","New J. Chem.","2016","40","9","7779","","10.1039/C6NJ00197A","","","0.71073","MoKα","","0.0507","0.0386","","","0.0934","0.0997","","","","","","1.011","","","","has coordinates","186451","2020-10-21","18:00:00",""
"7055683","7.9317","0.001","8.7062","0.001","11.2388","0.0015","100.563","0.002","107.502","0.002","104.506","0.002","687.88","0.15","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C10 H6 Cu N6 O8 -","- C10 H6 Cu N6 O8 -","- C20 H12 Cu2 N12 O16 -","2","1","","Yang, Qi; Ge, Jing; Gong, Qibing; Song, Xiaxia; Zhao, Jinwen; Wei, Qing; Xie, Gang; Chen, Sanping; Gao, Shengli","Two energetic complexes incorporating 3,5-dinitrobenzoic acid and azole ligands: microwave-assisted synthesis, favorable detonation properties, insensitivity and effects on the thermal decomposition of RDX","New J. Chem.","2016","40","9","7779","","10.1039/C6NJ00197A","","","0.71073","MoKα","","0.0699","0.0516","","","0.1046","0.1134","","","","","","1.001","","","","has coordinates","186451","2020-10-21","18:00:00",""
"7055684","11.6738","0.0005","13.8873","0.001","16.3146","0.0013","112.477","0.005","101.227","0.005","103.666","0.005","2251.9","0.3","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C25 H42 Mo3 N O9 P3 S10 -","- C25 H42 Mo3 N O9 P3 S10 -","- C50 H84 Mo6 N2 O18 P6 S20 -","2","1","","Gushchin, Artem L.; Hernandez-Molina, Rita; Anyushin, Alexander V.; Gallyamov, Marsel R.; Gonzalez-Platas, Javier; Moroz, Nikolay K.; Sokolov, Maxim N.","Synthesis, structure and NMR studies of trinuclear Mo3S4clusters coordinated with dithiophosphate and chiral carboxylate ligands","New J. Chem.","2016","40","9","7612","","10.1039/C6NJ01303A","","","0.71073","MoKα","","0.0743","0.049","","","0.0903","0.0968","","","","","","1.183","","","","has coordinates,has disorder","186455","2020-10-21","18:00:00",""
"7055685","12.615","0.00014","15.8462","0.0002","22.5039","0.0003","90","","90","","90","","4498.53","0.1","100","1","100","1","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C26 H44 Mo3 N O9 P3 S10 -","- C26 H44 Mo3 N O9 P3 S10 -","- C104 H176 Mo12 N4 O36 P12 S40 -","4","1","","Gushchin, Artem L.; Hernandez-Molina, Rita; Anyushin, Alexander V.; Gallyamov, Marsel R.; Gonzalez-Platas, Javier; Moroz, Nikolay K.; Sokolov, Maxim N.","Synthesis, structure and NMR studies of trinuclear Mo3S4clusters coordinated with dithiophosphate and chiral carboxylate ligands","New J. Chem.","2016","40","9","7612","","10.1039/C6NJ01303A","","x-ray","1.54184","CuKα","","0.0298","0.0273","","","0.0651","0.0667","","","","","","1.023","","","","has coordinates","186455","2020-10-21","18:00:00",""
"7055686","10.6089","0.0008","11.667","0.0008","13.3789","0.001","77.684","0.005","78.335","0.005","76.227","0.005","1551.2","0.2","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C36 H38 N2 O2 -","- C36 H38 N2 O2 -","- C72 H76 N4 O4 -","2","1","","Khan, Md. Musawwer; Khan, Sarfaraz; Iqbal, Safia; Saigal, Saigal; Yousuf, Raveed","Synthesis of functionalized dihydro-2-oxypyrroles and tetrahydropyridines using 2,6-pyridinedicarboxylic acid as an efficient and mild organocatalyst","New J. Chem.","2016","40","9","7504","","10.1039/C6NJ01170E","","","0.71073","MoKα","","0.1108","0.052","","","0.1262","0.1512","","","","","","1.006","","","","has coordinates","186462","2020-10-21","18:00:00",""
"7055687","8.6748","0.0007","12.1683","0.0011","12.928","0.0012","116.966","0.003","101.242","0.002","90.567","0.001","1185.37","0.18","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C27 H22 N2 O4 Sn -","- C27 H22 N2 O4 Sn -","- C54 H44 N4 O8 Sn2 -","2","1","","Hong, Min; Chang, Guoliang; Li, Rui; Niu, Meiju","Anti-proliferative activity and DNA/BSA interactions of five mono- or di-organotin(iv) compounds derived from 2-hydroxy-N′-[(2-hydroxy-3-methoxyphenyl)methylidene]-benzohydrazone","New J. Chem.","2016","40","9","7889","","10.1039/C6NJ00525J","","","0.71073","MoKα","","0.0451","0.0348","","","0.0815","0.087","","","","","","0.963","","","","has coordinates","186467","2020-10-21","18:00:00",""
"7055688","10.878","0.0008","10.9209","0.0009","13.8141","0.0011","97.532","0.001","95.081","0.001","100.369","0.002","1589.7","0.2","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C31 H46 N2 O4 Sn -","- C31 H46 N2 O4 Sn -","- C62 H92 N4 O8 Sn2 -","2","1","","Hong, Min; Chang, Guoliang; Li, Rui; Niu, Meiju","Anti-proliferative activity and DNA/BSA interactions of five mono- or di-organotin(iv) compounds derived from 2-hydroxy-N′-[(2-hydroxy-3-methoxyphenyl)methylidene]-benzohydrazone","New J. Chem.","2016","40","9","7889","","10.1039/C6NJ00525J","","","0.71073","MoKα","","0.069","0.0507","","","0.125","0.1351","","","","","","0.982","","","","has coordinates,has disorder","186467","2020-10-21","18:00:00",""
"7055689","9.8785","0.0008","10.6535","0.0009","10.9811","0.0009","101.831","0.002","92.732","0.001","91.731","0.001","1128.88","0.16","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C23 H30 N2 O4 Sn -","- C23 H30 N2 O4 Sn -","- C46 H60 N4 O8 Sn2 -","2","1","","Hong, Min; Chang, Guoliang; Li, Rui; Niu, Meiju","Anti-proliferative activity and DNA/BSA interactions of five mono- or di-organotin(iv) compounds derived from 2-hydroxy-N′-[(2-hydroxy-3-methoxyphenyl)methylidene]-benzohydrazone","New J. Chem.","2016","40","9","7889","","10.1039/C6NJ00525J","","","0.71073","MoKα","","0.041","0.0344","","","0.0912","0.0964","","","","","","1.046","","","","has coordinates","186467","2020-10-21","18:00:00",""
"7055690","24.8432","0.0019","10.1733","0.0009","13.1461","0.0011","90","","90","","90","","3322.5","0.5","298","2","298","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C34 H36 N4 O8 Sn2 -","- C34 H36 N4 O8 Sn2 -","- C136 H144 N16 O32 Sn8 -","4","0.5","","Hong, Min; Chang, Guoliang; Li, Rui; Niu, Meiju","Anti-proliferative activity and DNA/BSA interactions of five mono- or di-organotin(iv) compounds derived from 2-hydroxy-N′-[(2-hydroxy-3-methoxyphenyl)methylidene]-benzohydrazone","New J. Chem.","2016","40","9","7889","","10.1039/C6NJ00525J","","","0.71073","MoKα","","0.0712","0.0362","","","0.0746","0.0896","","","","","","1.038","","","","has coordinates","186467","2020-10-21","18:00:00",""
"7055691","8.6712","0.0009","11.7022","0.0011","12.4241","0.0013","106.805","0.002","94.688","0.001","109.026","0.002","1119.2","0.2","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C40 H52 Cl2 N4 O11 Sn2 -","- C40 H52 Cl2 N4 O11 Sn2 -","- C40 H52 Cl2 N4 O11 Sn2 -","1","0.5","","Hong, Min; Chang, Guoliang; Li, Rui; Niu, Meiju","Anti-proliferative activity and DNA/BSA interactions of five mono- or di-organotin(iv) compounds derived from 2-hydroxy-N′-[(2-hydroxy-3-methoxyphenyl)methylidene]-benzohydrazone","New J. Chem.","2016","40","9","7889","","10.1039/C6NJ00525J","","","0.71073","MoKα","","0.0518","0.0459","","","0.12","0.1248","","","","","","1.018","","","","has coordinates","186467","2020-10-21","18:00:00",""
"7055692","8.567","0.0004","14.0926","0.0007","25.1175","0.0009","88.524","0.003","81.396","0.003","87.366","0.004","2994.6","0.2","180","0.1","180","0.1","","","","","","","","6","P -1","-P 1","2","[minSstearyl][NTf2]","2-(hexadecylthio)-1-methyl-1H-imidazol-3-ium bis((trifluoromethyl)sulfonyl)amide","","- C22 H39 F6 N3 O4 S3 -","- C22 H39 F6 N3 O4 S3 -","- C88 H156 F24 N12 O16 S12 -","4","2","","O'Brien, Richard A.; Zayas, Manuel Sanchez; Nestor, Stephen T.; Gaitor, Jamie C.; Paul, Lauran M.; Edhegard, Forrest A.; Minkowicz, Samuel; Sykora, Richard E.; Sheng, Yinghong; Michael, Scott F.; Isern, Sharon; Mirjafari, Arsalan","Biomimetic design of protic lipidic ionic liquids with enhanced fluidity","New J. Chem.","2016","40","9","7795","","10.1039/C6NJ00657D","","","0.71073","MoKα","","0.0979","0.0524","","","0.1035","0.1237","","","","","","1.029","","","","has coordinates","186453","2020-10-21","18:00:00",""
"7055693","17.7839","0.0006","7.6076","0.0003","17.9304","0.0012","90","","90","","90","","2425.9","0.2","296","2","296","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C12 H10 Cl2 Se -","- C12 H10 Cl2 Se -","- C96 H80 Cl16 Se8 -","8","1","","Zeng, Xianghua; Gong, Chunhua; Zhang, Junyong; Xie, Jingli","Organoselenium-catalyzed vicinal dichlorination of unsaturated phosphonates","New J. Chem.","2016","40","9","7866","","10.1039/C6NJ00658B","","","1.54184","CuKα","","0.0564","0.0526","","","0.1395","0.1452","","","","","","1.072","","","","has coordinates","186454","2020-10-21","18:00:00",""
"7055694","5.65192","0.00016","18.5698","0.0006","19.0554","0.0005","90","","95.338","0.003","90","","1991.29","0.1","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H17 Cl2 O P -","- C20 H17 Cl2 O P -","- C80 H68 Cl8 O4 P4 -","4","1","","Zeng, Xianghua; Gong, Chunhua; Zhang, Junyong; Xie, Jingli","Organoselenium-catalyzed vicinal dichlorination of unsaturated phosphonates","New J. Chem.","2016","40","9","7866","","10.1039/C6NJ00658B","","","1.54184","CuKα","","0.0751","0.0673","","","0.2532","0.2604","","","","","","1.026","","","","has coordinates","186454","2020-10-21","18:00:00",""
"7055695","24.7459","0.0002","24.7459","0.0002","24.7459","0.0002","90","","90","","90","","15153.4","0.2","200","0.14","200","0.14","","","","","","","","7","P a -3","-P 2ac 2ab 3","205","","","","- C54 H72 Cl4 Mo3 N6 O3 S4 -","- C54 H72 Cl4 Mo3 N6 O3 S4 -","- C432 H576 Cl32 Mo24 N48 O24 S32 -","8","0.333333","","Pino-Chamorro, Jose A.; Laricheva, Yuliya A.; Guillamón, Eva; Fernández-Trujillo, M. Jesús; Bustelo, Emilio; Gushchin, Artem L.; Shmelev, Nikita Y.; Abramov, Pavel A.; Sokolov, Maxim N.; Llusar, Rosa; Basallote, Manuel G.; Algarra, Andrés G.","Cycloaddition of alkynes to diimino Mo3S4cubane-type clusters: a combined experimental and theoretical approach","New J. Chem.","2016","40","9","7872","","10.1039/C6NJ01787H","","","1.5418","CuKα","","0.1003","0.0625","","","0.1487","0.1741","","","","","","1.016","","","","has coordinates","186465","2020-10-21","18:00:00",""
"7055696","16.0589","0.0003","15.5077","0.0003","18.1719","0.0007","90","","95.27","0.002","90","","4506.3","0.2","130","1","130","1","","","","","","","","7","I 1 2/a 1","-I 2ya","15","","","","- C46 H36 Ag2 F6 N8 O6 S2 -","- C46 H36 Ag2 F6 N8 O6 S2 -","- C184 H144 Ag8 F24 N32 O24 S8 -","4","0.5","","Adamski, Ariel; Fik, Marta A.; Kubicki, Maciej; Hnatejko, Zbigniew; Gurda, Dorota; Fedoruk-Wyszomirska, Agnieszka; Wyszko, Eliza; Kruszka, Dariusz; Dutkiewicz, Zbigniew; Patroniak, Violetta","Full characterization and cytotoxic activity of new silver(i) and copper(i) helicates with quaterpyridine","New J. Chem.","2016","40","9","7943","","10.1039/C5NJ03601A","","","1.54184","CuKα","","0.0543","0.0531","","","0.1469","0.1481","","","","","","1.277","","","","has coordinates,has disorder","186468","2020-10-21","18:00:00",""
"7055697","12.5733","0.0004","23.2638","0.0006","16.2128","0.0005","90","","96.624","0.003","90","","4710.6","0.2","100","1","100","1","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C44 H36 Ag2 F12 N8 P2 -","- C44 H36 Ag2 F12 N8 P2 -","- C176 H144 Ag8 F48 N32 P8 -","4","0.5","","Adamski, Ariel; Fik, Marta A.; Kubicki, Maciej; Hnatejko, Zbigniew; Gurda, Dorota; Fedoruk-Wyszomirska, Agnieszka; Wyszko, Eliza; Kruszka, Dariusz; Dutkiewicz, Zbigniew; Patroniak, Violetta","Full characterization and cytotoxic activity of new silver(i) and copper(i) helicates with quaterpyridine","New J. Chem.","2016","40","9","7943","","10.1039/C5NJ03601A","","x-ray","0.71073","MoKα","","0.0372","0.0319","","","0.0895","0.0927","","","","","","1.095","","","","has coordinates,has disorder","186468","2020-10-21","18:00:00",""
"7055698","23.7716","0.0018","13.2745","0.0008","31.455","0.003","90","","117.247","0.011","90","","8824.5","1.5","100","1","100","1","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C46 H36 Cu2 F6 N8 O6 S2 -","- C46 H36 Cu2 F6 N8 O6 S2 -","- C368 H288 Cu16 F48 N64 O48 S16 -","8","1","","Adamski, Ariel; Fik, Marta A.; Kubicki, Maciej; Hnatejko, Zbigniew; Gurda, Dorota; Fedoruk-Wyszomirska, Agnieszka; Wyszko, Eliza; Kruszka, Dariusz; Dutkiewicz, Zbigniew; Patroniak, Violetta","Full characterization and cytotoxic activity of new silver(i) and copper(i) helicates with quaterpyridine","New J. Chem.","2016","40","9","7943","","10.1039/C5NJ03601A","","x-ray","0.71073","MoKα","","0.0865","0.0516","","","0.1039","0.1171","","","","","","0.985","","","","has coordinates,has disorder","186468","2020-10-21","18:00:00",""
"7055699","14.1499","0.001","16.6539","0.001","22.4487","0.0013","90","","90","","90","","5290.1","0.6","100","1","100","1","","","","","","","","7","P b c n","-P 2n 2ab","60","","","","- C59 H56 B2 Cu2 F8 N8 O -","- C59 H56 B2 Cu2 F8 N8 O -","- C236 H224 B8 Cu8 F32 N32 O4 -","4","0.5","","Adamski, Ariel; Fik, Marta A.; Kubicki, Maciej; Hnatejko, Zbigniew; Gurda, Dorota; Fedoruk-Wyszomirska, Agnieszka; Wyszko, Eliza; Kruszka, Dariusz; Dutkiewicz, Zbigniew; Patroniak, Violetta","Full characterization and cytotoxic activity of new silver(i) and copper(i) helicates with quaterpyridine","New J. Chem.","2016","40","9","7943","","10.1039/C5NJ03601A","","x-ray","0.71073","MoKα","","0.0755","0.0535","","","0.1569","0.1722","","","","","","1.271","","","","has coordinates,has disorder","186468","2020-10-21","18:00:00",""
"7055700","21.5008","0.001","12.8677","0.0006","16.1684","0.0007","90","","91.2161","0.0019","90","","4472.2","0.4","180","","180","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C50 H51 N3 O9 S -","- C50 H51 N3 O9 S -","- C200 H204 N12 O36 S4 -","4","1","","Klejch, Tomáš; Slavíček, Jan; Hudeček, Oldřich; Eigner, Václav; Gutierrez, Natalia Andrea; Cuřínová, Petra; Lhoták, Pavel","Calix[4]arenes containing a ureido functionality on the lower rim as highly efficient receptors for anion recognition","New J. Chem.","2016","40","9","7935","","10.1039/C6NJ01271J","","","1.5418","CuKα","","0.0946","0.0854","","0.1934","0.1863","0.1934","","","","","","0.8115","","","","has coordinates,has disorder","186474","2020-10-21","18:00:00",""
"7055701","9.1533","0.0018","23.791","0.005","18.215","0.004","90","","97.18","0.03","90","","3935.5","1.4","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C41 H49 Cl2 Co N3 -","- C40.994 H49 Cl2 Co N3 -","- C163.976 H196 Cl8 Co4 N12 -","4","1","","Huang, Fang; Zhang, Wenjuan; Sun, Yang; Hu, Xinquan; Solan, Gregory A.; Sun, Wen-Hua","Thermally stable and highly active cobalt precatalysts for vinyl-polyethylenes with narrow polydispersities: integrating fused-ring and imino-carbon protection into ligand design","New J. Chem.","2016","40","9","8012","","10.1039/C6NJ01867J","","","0.71073","MoKα","","","0.0555","","","0.1271","0.1362","","","","","","1.096","","","","has coordinates,has disorder","186469","2020-10-21","18:00:00",""
"7055702","16.066","0.002","19.561","0.002","15.994","0.002","90","","99.274","0.002","90","","4960.7","1","173","2","173","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","03115","","","- C36 H80 Ca I2 N8 O4 -","- C36 H80 Ca I2 N8 O4 -","- C144 H320 Ca4 I8 N32 O16 -","4","0.5","","Fitts, Lacey S.; Bierschenk, Eric J.; Hanusa, Timothy P.; Rheingold, Arnold L.; Pink, Maren; Young, Victor G.","Selective modification of the metal coordination environment in heavy alkaline‒earth iodide complexes","New J. Chem.","2016","40","10","8229","","10.1039/C6NJ01713D","","","0.71073","MoKα","","0.0331","0.0254","","","0.0629","0.0681","","","","","","1.017","","","","has coordinates,has disorder","187172","2020-10-21","18:00:00",""
"7055703","14.34","0.002","15.857","0.002","14.444","0.002","90","","105.616","0.003","90","","3163.2","0.7","173","2","173","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","02250a","","","- C24 H38 Ca I2 N2 O7 -","- C24 H38 Ca I2 N2 O7 -","- C96 H152 Ca4 I8 N8 O28 -","4","0.5","","Fitts, Lacey S.; Bierschenk, Eric J.; Hanusa, Timothy P.; Rheingold, Arnold L.; Pink, Maren; Young, Victor G.","Selective modification of the metal coordination environment in heavy alkaline‒earth iodide complexes","New J. Chem.","2016","40","10","8229","","10.1039/C6NJ01713D","","","0.71073","MoKα","","0.0522","0.0355","","","0.0861","0.0936","","","","","","1.101","","","","has coordinates","187172","2020-10-21","18:00:00",""
"7055704","13.0031","0.0008","17.628","0.001","28.16","0.002","90","","90","","90","","6454.8","0.7","173","2","173","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","99290","","","- C45 H105 Ca I2 O5 P5 -","- C45 H105 Ca I2 O5 P5 -","- C180 H420 Ca4 I8 O20 P20 -","4","1","","Fitts, Lacey S.; Bierschenk, Eric J.; Hanusa, Timothy P.; Rheingold, Arnold L.; Pink, Maren; Young, Victor G.","Selective modification of the metal coordination environment in heavy alkaline‒earth iodide complexes","New J. Chem.","2016","40","10","8229","","10.1039/C6NJ01713D","","","0.71073","MoKα","","0.0823","0.0447","","","0.101","0.1148","","","","","","0.925","","","","has coordinates","187172","2020-10-21","18:00:00",""
"7055705","12.1294","0.0003","14.6056","0.0003","22.7585","0.0005","90","","102.536","0.001","90","","3935.71","0.15","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C90 H75 Ba I2 O5 P5 -","- C90 H75 Ba I2 O5 P5 -","- C180 H150 Ba2 I4 O10 P10 -","2","1","","Fitts, Lacey S.; Bierschenk, Eric J.; Hanusa, Timothy P.; Rheingold, Arnold L.; Pink, Maren; Young, Victor G.","Selective modification of the metal coordination environment in heavy alkaline‒earth iodide complexes","New J. Chem.","2016","40","10","8229","","10.1039/C6NJ01713D","","","0.71073","MoKα","","0.0248","0.0229","","","0.0444","0.0451","","","","","","0.991","","","","has coordinates","187172","2020-10-21","18:00:00",""
"7055706","9.18","0.0006","9.4741","0.0006","14.4358","0.001","90.556","0.006","107.977","0.005","97.243","0.005","1183.12","0.14","203","2","203","2","","","","","","","","6","P -1","-P 1","2","","1,2-Di(1-naphthyl)-1,2-ethanediaminogold(III)chloride.dihydrate","","- C22 H24 Au Cl3 N2 O2 -","- C22 H24 Au Cl3 N2 O2 -","- C44 H48 Au2 Cl6 N4 O4 -","2","1","","Altaf, Muhammad; Ahmad, Saeed; Kawde, Abdel-Nasser; Baig, Nadeem; Alawad, Abdullah; Altuwaijri, Saleh; Stoeckli-Evans, Helen; Isab, Anvarhusein A.","Synthesis, structural characterization, electrochemical behavior and anticancer activity of gold(iii) complexes of meso-1,2-di(1-naphthyl)-1,2-diaminoethane and tetraphenylporphyrin","New J. Chem.","2016","40","10","8288","","10.1039/C6NJ00692B","","","0.71073","MoKα","","0.0483","0.039","","","0.0885","0.091","","","","","","0.99","","","","has coordinates","187169","2020-10-21","18:00:00",""
"7055707","25.2276","0.0015","9.4361","0.0006","13.6952","0.0008","90","","94.658","0.001","90","","3249.4","0.3","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C22 H36 N6 O19 Zn2 -","- C22 H36 N6 O19 Zn2 -","- C88 H144 N24 O76 Zn8 -","4","0.5","","Shang, Di; Ni, Jue chen; Gao, Xin Yu; Li, Cheng Ren; Lin, Xiao Meng; Wang, Zhi Nan; Du, Ning; Li, Shuang; Xing, Yong Heng","The various structures of complexes fabricated with transition metal and triazole ligands and inhibiting effect on luminescent xanthine","New J. Chem.","2016","","","","","10.1039/C6NJ01503D","","","0.71073","MoKα","","0.0564","0.0353","","","0.0831","0.0915","","","","","","1.019","","","","has coordinates","184813","2020-10-21","18:00:00",""
"7055708","7.788","0.0005","8.7135","0.0006","24.6516","0.0018","90","","90","","90","","1672.9","0.2","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C11 H19 Cd N3 O10 -","- C11 H19 Cd N3 O10 -","- C44 H76 Cd4 N12 O40 -","4","1","","Shang, Di; Ni, Jue chen; Gao, Xin Yu; Li, Cheng Ren; Lin, Xiao Meng; Wang, Zhi Nan; Du, Ning; Li, Shuang; Xing, Yong Heng","The various structures of complexes fabricated with transition metal and triazole ligands and inhibiting effect on luminescent xanthine","New J. Chem.","2016","","","","","10.1039/C6NJ01503D","","","0.71073","MoKα","","0.0473","0.0333","","","0.0588","0.0627","","","","","","1.044","","","","has coordinates","184813","2020-10-21","18:00:00",""
"7055709","25.74","0.02","9.689","0.009","13.887","0.013","90","","95.083","0.015","90","","3450","5","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C22 H36 Co2 N6 O19 -","- C22 H36 Co2 N6 O19 -","- C88 H144 Co8 N24 O76 -","4","0.5","","Shang, Di; Ni, Jue chen; Gao, Xin Yu; Li, Cheng Ren; Lin, Xiao Meng; Wang, Zhi Nan; Du, Ning; Li, Shuang; Xing, Yong Heng","The various structures of complexes fabricated with transition metal and triazole ligands and inhibiting effect on luminescent xanthine","New J. Chem.","2016","","","","","10.1039/C6NJ01503D","","","0.71073","MoKα","","0.0454","0.0304","","","0.0677","0.0732","","","","","","1.028","","","","has coordinates,has disorder","184813","2020-10-21","18:00:00",""
"7055710","25.1466","0.0017","9.4725","0.0006","13.6233","0.0009","90","","94.532","0.001","90","","3234.9","0.4","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C22 H36 N6 Ni2 O19 -","- C22 H36 N6 Ni2 O19 -","- C88 H144 N24 Ni8 O76 -","4","0.5","","Shang, Di; Ni, Jue chen; Gao, Xin Yu; Li, Cheng Ren; Lin, Xiao Meng; Wang, Zhi Nan; Du, Ning; Li, Shuang; Xing, Yong Heng","The various structures of complexes fabricated with transition metal and triazole ligands and inhibiting effect on luminescent xanthine","New J. Chem.","2016","","","","","10.1039/C6NJ01503D","","","0.71073","MoKα","","0.0337","0.0263","","","0.0648","0.0684","","","","","","1.031","","","","has coordinates,has disorder","184813","2020-10-21","18:00:00",""
"7055711","6.539","0.004","8.752","0.005","12.35","0.007","97.275","0.009","101.14","0.009","110.523","0.009","634.8","0.6","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H20 Cu3 N6 O12 -","- C22 H20 Cu3 N6 O12 -","- C22 H20 Cu3 N6 O12 -","1","0.5","","Shang, Di; Ni, Jue chen; Gao, Xin Yu; Li, Cheng Ren; Lin, Xiao Meng; Wang, Zhi Nan; Du, Ning; Li, Shuang; Xing, Yong Heng","The various structures of complexes fabricated with transition metal and triazole ligands and inhibiting effect on luminescent xanthine","New J. Chem.","2016","","","","","10.1039/C6NJ01503D","","","0.71073","MoKα","","0.0394","0.0285","","","0.0617","0.0643","","","","","","1.039","","","","has coordinates","184813","2020-10-21","18:00:00",""
"7055712","16.7455","0.0006","13.1161","0.0004","16.7312","0.0006","90","","110.758","0.002","90","","3436.2","0.2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Hexa(2,4-nonanedionate)(2,2'-bipyrimidine)di-erbium(III)","","- C31 H48 Er N2 O6 -","- C31 H48 Er N2 O6 -","- C124 H192 Er4 N8 O24 -","4","1","","Martín-Ramos, P.; Pereira, L. C. J.; Coutinho, J. T.; Koprowiak, F.; Bolvin, H.; Lavín, V.; Martín, I. R.; Martín-Gil, J.; Silva, M. Ramos","Structure, luminescence and magnetic properties of an erbium(iii) β-diketonate homodinuclear complex","New J. Chem.","2016","40","10","8251","","10.1039/C6NJ01598K","","","0.71073","MoKα","","0.1204","0.054","","","0.1085","0.146","","","","","","1.107","","","","has coordinates,has disorder","187170","2020-10-21","18:00:00",""
"7055713","3.9725","0.0005","7.5945","0.0008","11.1824","0.0014","91.402","0.007","91.093","0.007","90.206","0.007","337.2","0.07","293","","293","","","","","","","","","4","P -1","-P 1","2","Gd3S3BO3","","","- B Gd3 O3 S3 -","- B Gd3 O3 S3 -","- B2 Gd6 O6 S6 -","2","1","","Chi, Yang; Guo, Sheng-Ping; Kong, Hong-Jian; Xue, Huai-Guo","Crystal and electronic structures, and optical and magnetic properties of novel rare-earth sulfide borates RE3S3BO3(RE = Sm, Gd)","New J. Chem.","2016","40","8","6720","","10.1039/C6NJ00549G","","","0.71073","MoKα","","0.0523","0.0379","","","0.084","0.0897","","","","","","1.04","","","","has coordinates","185075","2020-10-21","18:00:00",""
"7055714","15.389","0.001","11.081","0.001","18.832","0.001","90","","105.234","0.001","90","","3098.5","0.4","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Compound 1","","","- C34 H46 P2 Sm -","- C34 H46 P2 Sm -","- C136 H184 P8 Sm4 -","4","1","","Jaoul, Arnaud; Clavaguéra, Carine; Nocton, Grégory","Electron transfer in tetramethylbiphosphinine complexes of Cp*2Yb and Cp*2Sm","New J. Chem.","2016","40","8","6643","","10.1039/C6NJ00527F","","","0.71069","MoKα","","0.0904","0.0618","","","0.1152","0.1297","","","","","","1.058","","","","has coordinates","185076","2020-10-21","18:00:00",""
"7055715","9.821","0.001","10.697","0.001","15.776","0.001","77.407","0.001","74.304","0.001","75.918","0.001","1526.9","0.2","150","0.1","150","0.1","","","","","","","","4","P -1","-P 1","2","Compound 2","","","- C34 H46 P2 Yb -","- C34 H46 P2 Yb -","- C68 H92 P4 Yb2 -","2","1","","Jaoul, Arnaud; Clavaguéra, Carine; Nocton, Grégory","Electron transfer in tetramethylbiphosphinine complexes of Cp*2Yb and Cp*2Sm","New J. Chem.","2016","40","8","6643","","10.1039/C6NJ00527F","","","0.71069","MoKα","","0.059","0.049","","","0.1101","0.1175","","","","","","1.084","","","","has coordinates","185076","2020-10-21","18:00:00",""
"7055716","9.505","0.003","5.3533","0.0016","19.925","0.006","90","","93.847","0.009","90","","1011.6","0.5","93","2","93","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C14 H20 N4 Pt S6 -","- C14 H20 N4 Pt S6 -","- C28 H40 N8 Pt2 S12 -","2","0.5","","Deiana, Carlo; Carla Aragoni, M.; Isaia, Francesco; Lippolis, Vito; Pintus, Anna; Slawin, Alexandra M. Z.; Derek Woollins, J.; Arca, Massimiliano","Structural tailoring of the NIR-absorption of bis(1,2-dichalcogenolene) Ni/Pt electrochromophores deriving from 1,3-dimethyl-2-chalcogenoxo-imidazoline-4,5-dichalcogenolates","New J. Chem.","2016","40","10","8206","","10.1039/C6NJ01854H","","","0.71073","MoKα","","0.0366","0.0308","","","0.059","0.0625","","","","","","1.062","","","","has coordinates","187160","2020-10-21","18:00:00",""
"7055717","15.22","0.03","27.66","0.05","14.27","0.03","90","","90","","90","","6007","2","293","2","293","2","","","","","","","","7","I b a m","-I 2 2c","72","","","","- C40 H60 B2 Fe2 Mn N18 O6 -","- C40 H50 B2 Fe2 Mn N18 O2 -","- C160 H200 B8 Fe8 Mn4 N72 O8 -","4","0.25","","Dong, Dapeng; Zhang, Yanjuan; Jiao, Chengqi; Zhao, Liang; Liu, Tao; Liu, Dedi; Li, Zhenghua; Liu, Jia; Liu, Dongping","Syntheses, structures, and magnetic properties of three new cyano-bridged heterobimetallic chains based on [Fe(Tp*)(CN)3]−","New J. Chem.","2016","40","10","8451","","10.1039/C6NJ01015F","","","0.71073","MoKα","","0.1238","0.0629","","","0.1644","0.1855","","","","","","1.004","","","","has coordinates","187162","2020-10-21","18:00:00",""
"7055718","15.022","0.009","26.818","0.017","13.992","0.009","90","","90","","90","","5637","6","273","2","273","2","","","","","","","","7","I b a m","-I 2 2c","72","","","","- C40 H60 B2 Co Fe2 N18 O6 -","- C40 H48 B2 Co Fe2 N18 O2 -","- C160 H192 B8 Co4 Fe8 N72 O8 -","4","0.25","","Dong, Dapeng; Zhang, Yanjuan; Jiao, Chengqi; Zhao, Liang; Liu, Tao; Liu, Dedi; Li, Zhenghua; Liu, Jia; Liu, Dongping","Syntheses, structures, and magnetic properties of three new cyano-bridged heterobimetallic chains based on [Fe(Tp*)(CN)3]−","New J. Chem.","2016","40","10","8451","","10.1039/C6NJ01015F","","","0.71073","MoKα","","0.0875","0.0582","","","0.1642","0.1757","","","","","","1.041","","","","has coordinates","187162","2020-10-21","18:00:00",""
"7055719","14.97","0.02","27.32","0.04","14.14","0.02","90","","90","","90","","5783","14","273","2","273","2","","","","","","","","6","I b a m","-I 2 2c","72","","","","- C40 H60 B2 Fe3 N18 O6 -","- C40 H50 B2 Fe3 N18 O2 -","- C160 H200 B8 Fe12 N72 O8 -","4","0.25","","Dong, Dapeng; Zhang, Yanjuan; Jiao, Chengqi; Zhao, Liang; Liu, Tao; Liu, Dedi; Li, Zhenghua; Liu, Jia; Liu, Dongping","Syntheses, structures, and magnetic properties of three new cyano-bridged heterobimetallic chains based on [Fe(Tp*)(CN)3]−","New J. Chem.","2016","40","10","8451","","10.1039/C6NJ01015F","","","0.71073","MoKα","","0.104","0.0579","","","0.1421","0.1618","","","","","","1.039","","","","has coordinates","187162","2020-10-21","18:00:00",""
"7055720","14.4151","0.0008","7.5086","0.0004","31.8698","0.0018","90","","99.194","0.002","90","","3405.2","0.3","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","(E)-3-(3-bromo-4-(dimethylamino)phenyl)-1-(3-chloro-4-methoxyphenyl)prop-2-en-1-one","(E)-3-(3-bromo-4-(dimethylamino)phenyl)-1-(3-chloro-4-methoxyphenyl)prop-2-en-1-one","","- C18 H17 Br Cl N O2 -","- C18 H17 Br Cl N O2 -","- C144 H136 Br8 Cl8 N8 O16 -","8","2","","Vaz, Patricia A. A. M.; Rocha, João; Silva, Artur M. S.; Guieu, Samuel","Aggregation-induced emission enhancement in halochalcones","New J. Chem.","2016","40","10","8198","","10.1039/C6NJ01387B","","","0.71073","MoKα","","0.0545","0.0347","","","0.0726","0.0793","","","","","","1.041","","","","has coordinates","187167","2020-10-21","18:00:00",""
"7055721","14.4606","0.0006","7.4161","0.0003","31.678","0.0013","90","","97.798","0.002","90","","3365.8","0.2","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","(E)-3-(3-chloro-4-(dimethylamino)phenyl)-1-(3-chloro-4-methoxyphenyl)prop-2-en-1-one","(E)-3-(3-chloro-4-(dimethylamino)phenyl)-1-(3-chloro-4-methoxyphenyl)prop-2-en-1-one","","- C18 H17 Cl2 N O2 -","- C18 H17 Cl2 N O2 -","- C144 H136 Cl16 N8 O16 -","8","2","","Vaz, Patricia A. A. M.; Rocha, João; Silva, Artur M. S.; Guieu, Samuel","Aggregation-induced emission enhancement in halochalcones","New J. Chem.","2016","40","10","8198","","10.1039/C6NJ01387B","","","0.71073","MoKα","","0.0672","0.0397","","","0.0802","0.0895","","","","","","1.012","","","","has coordinates","187167","2020-10-21","18:00:00",""
"7055722","8.8051","0.0016","13.364","0.002","9.6474","0.0017","90","","107.1","0.002","90","","1085","0.3","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C10 H25 Cl6 N4 O2 W -","- C10 H25 Cl6 N4 O2 W -","- C20 H50 Cl12 N8 O4 W2 -","2","0.5","","Bortoluzzi, Marco; Marchetti, Fabio; Pampaloni, Guido; Zacchini, Stefano","The chemistry of high valent tungsten chlorides with N-substituted ureas, including urea self-protonation reactions triggered by WCl6","New J. Chem.","2016","40","10","8271","","10.1039/C6NJ01822J","","","0.71073","MoKα","","0.0417","0.0339","","","0.0813","0.0891","","","","","","1.097","","","","has coordinates,has disorder","187171","2020-10-21","18:00:00",""
"7055723","10.165","0.004","11.202","0.004","15.614","0.008","97.21","0.006","105.984","0.006","114.048","0.004","1502.5","1.1","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C26 H25 Cl6 N4 O2 W -","- C26 H25 Cl6 N4 O2 W -","- C52 H50 Cl12 N8 O4 W2 -","2","1","","Bortoluzzi, Marco; Marchetti, Fabio; Pampaloni, Guido; Zacchini, Stefano","The chemistry of high valent tungsten chlorides with N-substituted ureas, including urea self-protonation reactions triggered by WCl6","New J. Chem.","2016","40","10","8271","","10.1039/C6NJ01822J","","","0.71073","MoKα","","0.0614","0.0372","","","0.0799","0.0888","","","","","","0.979","","","","has coordinates","187171","2020-10-21","18:00:00",""
"7055724","10.18","0.003","15.365","0.004","22.009","0.006","90","","90","","90","","3442.6","1.6","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C3 H8 Cl5 N2 O W -","- C3 H8 Cl5 N2 O W -","- C36 H96 Cl60 N24 O12 W12 -","12","3","","Bortoluzzi, Marco; Marchetti, Fabio; Pampaloni, Guido; Zacchini, Stefano","The chemistry of high valent tungsten chlorides with N-substituted ureas, including urea self-protonation reactions triggered by WCl6","New J. Chem.","2016","40","10","8271","","10.1039/C6NJ01822J","","","0.71073","MoKα","","0.0712","0.0458","","","0.0898","0.0997","","","","","","1.018","","","","has coordinates","187171","2020-10-21","18:00:00",""
"7055725","9.1938","0.0018","14.574","0.003","9.857","0.002","90","","96.519","0.002","90","","1312.2","0.5","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C5 H12 Cl5 N2 O W -","- C5 H12 Cl5 N2 O W -","- C20 H48 Cl20 N8 O4 W4 -","4","1","","Bortoluzzi, Marco; Marchetti, Fabio; Pampaloni, Guido; Zacchini, Stefano","The chemistry of high valent tungsten chlorides with N-substituted ureas, including urea self-protonation reactions triggered by WCl6","New J. Chem.","2016","40","10","8271","","10.1039/C6NJ01822J","","","0.71073","MoKα","","0.0371","0.0295","","","0.063","0.0653","","","","","","1.019","","","","has coordinates","187171","2020-10-21","18:00:00",""
"7055726","9.7817","0.0006","12.5746","0.0007","13.7251","0.0008","90","","91.979","0.001","90","","1687.19","0.17","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C9 H21 Cl4 N2 O2 W -","- C9 H21 Cl4 N2 O2 W -","- C36 H84 Cl16 N8 O8 W4 -","4","1","","Bortoluzzi, Marco; Marchetti, Fabio; Pampaloni, Guido; Zacchini, Stefano","The chemistry of high valent tungsten chlorides with N-substituted ureas, including urea self-protonation reactions triggered by WCl6","New J. Chem.","2016","40","10","8271","","10.1039/C6NJ01822J","","","0.71073","MoKα","","0.0262","0.0203","","","0.0413","0.0433","","","","","","1.038","","","","has coordinates","187171","2020-10-21","18:00:00",""
"7055727","9.483","0.002","10.127","0.002","11.202","0.002","90","","89.971","0.002","90","","1075.8","0.4","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C3 H8 Cl4 N2 O2 W -","- C3 H8 Cl4 N2 O2 W -","- C12 H32 Cl16 N8 O8 W4 -","4","1","","Bortoluzzi, Marco; Marchetti, Fabio; Pampaloni, Guido; Zacchini, Stefano","The chemistry of high valent tungsten chlorides with N-substituted ureas, including urea self-protonation reactions triggered by WCl6","New J. Chem.","2016","40","10","8271","","10.1039/C6NJ01822J","","","0.71073","MoKα","","0.0646","0.0604","","","0.1436","0.147","","","","","","1.225","","","","has coordinates","187171","2020-10-21","18:00:00",""
"7055728","11.0742","0.0016","11.0742","0.0016","6.4127","0.0009","90","","90","","90","","786.44","0.19","100","2","100","2","","","","","","","no","5","P -4","P -4","81","bis(TMS)selenophenedioxide","bis(TMS)selenophenedioxide","","- C10 H20 O2 Se Si2 -","- C10 H20 O2 Se Si2 -","- C20 H40 O4 Se2 Si4 -","2","0.5","","Masuda, Toshiyuki; Inagaki, Yusuke; Momma, Hiroyuki; Kwon, Eunsang; Setaka, Wataru","Facile synthesis of 2,5-bis(silyl)selenophene-1,1-dioxide and its photophysical properties","New J. Chem.","2016","40","10","8593","","10.1039/C6NJ01886F","","","0.71073","MoKα","","0.024","0.0238","","","0.0709","0.0709","","","","","","0.945","","","","has coordinates,has disorder","187173","2020-10-21","18:00:00",""
"7055729","14.666","0.004","14.776","0.004","6.4741","0.0016","90","","90","","90","","1403","0.6","100","2","100","2","","","","","","","","4","P m m n :2","-P 2ab 2a","59","1,4-bisTMSselenophene","1,4-bisTMSselenophene","","- C10 H20 Se Si2 -","- C10 H22 Se Si2 -","- C40 H88 Se4 Si8 -","4","0.5","","Masuda, Toshiyuki; Inagaki, Yusuke; Momma, Hiroyuki; Kwon, Eunsang; Setaka, Wataru","Facile synthesis of 2,5-bis(silyl)selenophene-1,1-dioxide and its photophysical properties","New J. Chem.","2016","40","10","8593","","10.1039/C6NJ01886F","","","0.71073","MoKα","","0.027","0.0238","","","0.0587","0.06","","","","","","1.033","","","","has coordinates","187173","2020-10-21","18:00:00",""
"7055730","12.923","0.003","12.032","0.002","22.59","0.008","90","","108.13","0.03","90","","3338.1","1.6","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C25 H34 Cu Fe Gd N8 O11 -","- C25 H20 Cu Fe Gd N8 O11 -","- C100 H80 Cu4 Fe4 Gd4 N32 O44 -","4","1","","Liu, Mei-Jiao; Hu, Kong-Qiu; Liu, Cai-Ming; Cui, Ai-Li; Kou, Hui-Zhong","Ligand-directed assembly of trinuclear and one-dimensional heterotrimetallic CuIILnIIIFeIIIcomplexes: unusual antiferromagnetic CuIIFeIIIcoupling via cyano bridges","New J. Chem.","2016","40","10","8643","","10.1039/C6NJ01887D","","","0.71073","MoKα","","0.0485","0.0352","","","0.0831","0.0912","","","","","","1.038","","","","has coordinates,has disorder","187159","2020-10-21","18:00:00",""
"7055731","12.889","0.003","12.035","0.002","22.242","0.008","90","","105.12","0.03","90","","3330.7","1.6","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C25 H34 Cu Fe N8 O11 Tb -","- C25 H30 Cu Fe N8 O11 Tb -","- C100 H120 Cu4 Fe4 N32 O44 Tb4 -","4","1","","Liu, Mei-Jiao; Hu, Kong-Qiu; Liu, Cai-Ming; Cui, Ai-Li; Kou, Hui-Zhong","Ligand-directed assembly of trinuclear and one-dimensional heterotrimetallic CuIILnIIIFeIIIcomplexes: unusual antiferromagnetic CuIIFeIIIcoupling via cyano bridges","New J. Chem.","2016","40","10","8643","","10.1039/C6NJ01887D","","","0.71073","MoKα","","0.0506","0.0383","","","0.095","0.1037","","","","","","1.035","","","","has coordinates,has disorder","187159","2020-10-21","18:00:00",""
"7055732","8.5391","0.0002","24.9879","0.0008","15.7226","0.0005","90","","92.0769","0.0012","90","","3352.59","0.17","293","2","293","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C25 H31.5 Cu Dy Fe N8 O9.75 -","- C25 H24 Cu Dy Fe N8 O9.75 -","- C100 H96 Cu4 Dy4 Fe4 N32 O39 -","4","1","","Liu, Mei-Jiao; Hu, Kong-Qiu; Liu, Cai-Ming; Cui, Ai-Li; Kou, Hui-Zhong","Ligand-directed assembly of trinuclear and one-dimensional heterotrimetallic CuIILnIIIFeIIIcomplexes: unusual antiferromagnetic CuIIFeIIIcoupling via cyano bridges","New J. Chem.","2016","40","10","8643","","10.1039/C6NJ01887D","","","0.71073","MoKα","","0.0449","0.0346","","","0.0837","0.0883","","","","","","1.021","","","","has coordinates,has disorder","187159","2020-10-21","18:00:00",""
"7055733","21.1918","0.0009","23.32","0.0008","26.6459","0.0012","90","","90","","90","","13168.2","0.9","173","2","173","","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C53 H67.5 Cu2 Fe Gd N12.5 O14 -","- C53 H55.5 Cu2 Fe Gd N12.5 O14 -","- C424 H444 Cu16 Fe8 Gd8 N100 O112 -","8","1","","Liu, Mei-Jiao; Hu, Kong-Qiu; Liu, Cai-Ming; Cui, Ai-Li; Kou, Hui-Zhong","Ligand-directed assembly of trinuclear and one-dimensional heterotrimetallic CuIILnIIIFeIIIcomplexes: unusual antiferromagnetic CuIIFeIIIcoupling via cyano bridges","New J. Chem.","2016","40","10","8643","","10.1039/C6NJ01887D","","","0.71073","MoKα","","0.1608","0.0922","","","0.212","0.2434","","","","","","1.102","","","","has coordinates","187159","2020-10-21","18:00:00",""
"7055734","21.0615","0.0009","23.2526","0.0009","26.6468","0.0009","90","","90","","90","","13049.9","0.9","100","1","100","1","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C56 H74 Cu2 Fe N14 O15 Y -","- C56 H70 Cu2 Fe N14 O15 Y -","- C448 H560 Cu16 Fe8 N112 O120 Y8 -","8","1","","Liu, Mei-Jiao; Hu, Kong-Qiu; Liu, Cai-Ming; Cui, Ai-Li; Kou, Hui-Zhong","Ligand-directed assembly of trinuclear and one-dimensional heterotrimetallic CuIILnIIIFeIIIcomplexes: unusual antiferromagnetic CuIIFeIIIcoupling via cyano bridges","New J. Chem.","2016","40","10","8643","","10.1039/C6NJ01887D","","","0.71073","MoKα","","0.1097","0.0596","","","0.1127","0.1302","","","","","","1.052","","","","has coordinates,has disorder","187159","2020-10-21","18:00:00",""
"7055735","21.085","0.004","23.379","0.005","26.922","0.005","90","","90","","90","","13271","5","293","2","293","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C53 H65.5 Cu2 Dy Fe N12.5 O12.5 -","- C51 H52.5 Cu2 Dy Fe N11.5 O14 -","- C408 H420 Cu16 Dy8 Fe8 N92 O112 -","8","1","","Liu, Mei-Jiao; Hu, Kong-Qiu; Liu, Cai-Ming; Cui, Ai-Li; Kou, Hui-Zhong","Ligand-directed assembly of trinuclear and one-dimensional heterotrimetallic CuIILnIIIFeIIIcomplexes: unusual antiferromagnetic CuIIFeIIIcoupling via cyano bridges","New J. Chem.","2016","40","10","8643","","10.1039/C6NJ01887D","","","0.71073","MoKα","","0.142","0.0758","","","0.1561","0.1842","","","","","","1.039","","","","has coordinates","187159","2020-10-21","18:00:00",""
"7055736","21.134","0.011","23.479","0.012","26.843","0.014","90","","90","","90","","13320","12","293","2","293","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C51 H63.5 Cu2 Fe N11.5 O13.5 Tb -","- C51 H52.5 Cu2 Fe N11.5 O13.5 Tb -","- C408 H420 Cu16 Fe8 N92 O108 Tb8 -","8","1","","Liu, Mei-Jiao; Hu, Kong-Qiu; Liu, Cai-Ming; Cui, Ai-Li; Kou, Hui-Zhong","Ligand-directed assembly of trinuclear and one-dimensional heterotrimetallic CuIILnIIIFeIIIcomplexes: unusual antiferromagnetic CuIIFeIIIcoupling via cyano bridges","New J. Chem.","2016","40","10","8643","","10.1039/C6NJ01887D","","","0.71073","MoKα","","0.1439","0.0683","","","0.1819","0.2171","","","","","","1.022","","","","has coordinates,has disorder","187159","2020-10-21","18:00:00",""
"7055737","9.4696","0.0006","7.9769","0.0005","23.0327","0.0012","90","","109.25","0.003","90","","1642.57","0.17","283","2","283","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C10 H19 Br3 N2 Pb -","- C10 H19 Br3 N2 Pb -","- C40 H76 Br12 N8 Pb4 -","4","1","","Wan, Kun-Ming; Tong, Yuan-Bo; Li, Li; Zou, Yang; Duan, Hai-Bao; Liu, Jian-Lan; Ren, XiaoMing","Investigation of thermochromic photoluminescent, dielectric and crystal structural properties for an inorganic-organic hybrid solid of [1-hexyl-3-methylimidazolium][PbBr3]","New J. Chem.","2016","","","","","10.1039/C6NJ01508E","","","0.71073","MoKα","","0.0754","0.0541","","","0.1126","0.1247","","","","","","1.112","","","","has coordinates","185950","2020-10-21","18:00:00",""
"7055738","9.4917","0.0006","7.9842","0.0005","23.0848","0.0012","90","","109.062","0.003","90","","1653.52","0.17","313","2","313","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C10 H19 Br3 N2 Pb -","- C10 H19 Br3 N2 Pb -","- C40 H76 Br12 N8 Pb4 -","4","1","","Wan, Kun-Ming; Tong, Yuan-Bo; Li, Li; Zou, Yang; Duan, Hai-Bao; Liu, Jian-Lan; Ren, XiaoMing","Investigation of thermochromic photoluminescent, dielectric and crystal structural properties for an inorganic-organic hybrid solid of [1-hexyl-3-methylimidazolium][PbBr3]","New J. Chem.","2016","","","","","10.1039/C6NJ01508E","","","0.71073","MoKα","","0.113","0.0893","","","0.2622","0.2773","","","","","","1.109","","","","has coordinates","185950","2020-10-21","18:00:00",""
"7055739","9.389","0.004","7.955","0.003","22.888","0.008","90","","109.638","0.015","90","","1610.1","1.1","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C10 H19 Br3 N2 Pb -","- C10 H19 Br3 N2 Pb -","- C40 H76 Br12 N8 Pb4 -","4","1","","Wan, Kun-Ming; Tong, Yuan-Bo; Li, Li; Zou, Yang; Duan, Hai-Bao; Liu, Jian-Lan; Ren, XiaoMing","Investigation of thermochromic photoluminescent, dielectric and crystal structural properties for an inorganic-organic hybrid solid of [1-hexyl-3-methylimidazolium][PbBr3]","New J. Chem.","2016","","","","","10.1039/C6NJ01508E","","","0.71073","MoKα","","0.0463","0.0382","","","0.092","0.0987","","","","","","1.118","","","","has coordinates","185950","2020-10-21","18:00:00",""
"7055740","9.4198","0.0013","7.9592","0.0011","22.961","0.003","90","","109.524","0.006","90","","1622.5","0.4","223","2","223","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C10 H19 Br3 N2 Pb -","- C10 H19 Br3 N2 Pb -","- C40 H76 Br12 N8 Pb4 -","4","1","","Wan, Kun-Ming; Tong, Yuan-Bo; Li, Li; Zou, Yang; Duan, Hai-Bao; Liu, Jian-Lan; Ren, XiaoMing","Investigation of thermochromic photoluminescent, dielectric and crystal structural properties for an inorganic-organic hybrid solid of [1-hexyl-3-methylimidazolium][PbBr3]","New J. Chem.","2016","","","","","10.1039/C6NJ01508E","","","0.71073","MoKα","","0.0691","0.0566","","","0.1467","0.1569","","","","","","1.128","","","","has coordinates","185950","2020-10-21","18:00:00",""
"7055741","9.4442","0.0006","7.9704","0.0005","22.9992","0.0014","90","","109.466","0.003","90","","1632.28","0.18","243","2","243","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C10 H19 Br3 N2 Pb -","- C10 H19 Br3 N2 Pb -","- C40 H76 Br12 N8 Pb4 -","4","1","","Wan, Kun-Ming; Tong, Yuan-Bo; Li, Li; Zou, Yang; Duan, Hai-Bao; Liu, Jian-Lan; Ren, XiaoMing","Investigation of thermochromic photoluminescent, dielectric and crystal structural properties for an inorganic-organic hybrid solid of [1-hexyl-3-methylimidazolium][PbBr3]","New J. Chem.","2016","","","","","10.1039/C6NJ01508E","","","0.71073","MoKα","","0.0736","0.0597","","","0.1527","0.1631","","","","","","1.109","","","","has coordinates","185950","2020-10-21","18:00:00",""
"7055742","9.4561","0.0006","7.972","0.0005","23.0041","0.0012","90","","109.354","0.003","90","","1636.14","0.17","263","2","263","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C10 H19 Br3 N2 Pb -","- C10 H19 Br3 N2 Pb -","- C40 H76 Br12 N8 Pb4 -","4","1","","Wan, Kun-Ming; Tong, Yuan-Bo; Li, Li; Zou, Yang; Duan, Hai-Bao; Liu, Jian-Lan; Ren, XiaoMing","Investigation of thermochromic photoluminescent, dielectric and crystal structural properties for an inorganic-organic hybrid solid of [1-hexyl-3-methylimidazolium][PbBr3]","New J. Chem.","2016","","","","","10.1039/C6NJ01508E","","","0.71073","MoKα","","0.0682","0.0508","","","0.1095","0.1196","","","","","","1.072","","","","has coordinates","185950","2020-10-21","18:00:00",""
"7055743","4.791","0.001","16.125","0.004","20.85","0.005","90","","90","","90","","1610.8","0.6","298","2","298","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C21 H15 N3 O -","- C21 H15 N3 O -","- C84 H60 N12 O4 -","4","1","","Darabi, Farivash; Hadadzadeh, Hassan; Simpson, Jim; Shahpiri, Azar","A water-soluble Pd(ii) complex with a terpyridine ligand: experimental and molecular modeling studies of the interaction with DNA and BSA; and in vitro cytotoxicity investigations against five human cancer cell lines","New J. Chem.","2016","40","11","9081","","10.1039/C6NJ01880G","","","0.71073","MoKα","","0.2174","0.0329","","","0.0278","0.0458","","","","","","0.827","","","","has coordinates","188262","2020-10-21","18:00:00",""
"7055744","29.3162","0.0006","29.3162","0.0006","5.0991","0.0002","90","","90","","90","","4382.4","0.2","100","2","100","2","","","","","","","","6","P 4/n","-P 4a","85","","(4'-(4-Hydroxyphenyl)-2,2':6',2''-terpyridine-κ^3^N)chloridopalladium(II)","","- C21 H17 Cl2 N3 O2.8 Pd -","- C21 H17 Cl2 N3 O2.8 Pd -","- C168 H136 Cl16 N24 O22.4 Pd8 -","8","","","Darabi, Farivash; Hadadzadeh, Hassan; Simpson, Jim; Shahpiri, Azar","A water-soluble Pd(ii) complex with a terpyridine ligand: experimental and molecular modeling studies of the interaction with DNA and BSA; and in vitro cytotoxicity investigations against five human cancer cell lines","New J. Chem.","2016","40","11","9081","","10.1039/C6NJ01880G","","","1.54184","CuKα","","0.1118","0.1059","","","0.2899","0.2936","","","","","","1.188","","","","has coordinates","188262","2020-10-21","18:00:00",""
"7055745","20.923","0.005","21.41","0.005","8.2496","0.0019","90","","104.003","0.003","90","","3585.7","1.5","153","2","153","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C21 H12 Eu O7 -","- C21 H12 Eu O7 -","- C168 H96 Eu8 O56 -","8","1","","Wang, Jian; Wang, Jingru; Li, Yang; Jiang, Min; Zhang, Lingwen; Wu, Pengyan","A europium(iii)-based metal‒organic framework as a naked-eye and fast response luminescence sensor for acetone and ferric iron","New J. Chem.","2016","40","10","8600","","10.1039/C6NJ02163H","","","0.71073","MoKα","","0.0293","0.0236","","","0.0584","0.0616","","","","","","1.011","","","","has coordinates","187161","2020-10-21","18:00:00",""
"7055746","7.137","0.0004","12.7274","0.0007","14.9056","0.0009","68.085","0.004","79.864","0.004","88.108","0.004","1235.72","0.13","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C21 H21 Cl N5 O9 V -","- C21 H21 Cl N5 O9 V -","- C42 H42 Cl2 N10 O18 V2 -","2","1","","Palmajumder, Eshita; Patra, Swarup; Drew, Michael G. B.; Mukherjea, Kalyan K.","Vanadium bromoperoxidase (VBrPO) mimics: synthesis, structure and a comparative account of the catalytic activity of newly synthesized oxidovanadium and oxido-peroxidovanadium complexes","New J. Chem.","2016","40","10","8696","","10.1039/C6NJ00767H","","","0.71073","MoKα","","0.0753","0.0536","","","0.1419","0.1556","","","","","","1.033","","","","has coordinates,has disorder","187164","2020-10-21","18:00:00",""
"7055747","9.3945","0.0002","9.773","0.0003","11.4652","0.0003","95.855","0.002","92.247","0.002","98.309","0.002","1034.61","0.05","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H20 N6 O3 V -","- C22 H20 N6 O3 V -","- C44 H40 N12 O6 V2 -","2","1","","Palmajumder, Eshita; Patra, Swarup; Drew, Michael G. B.; Mukherjea, Kalyan K.","Vanadium bromoperoxidase (VBrPO) mimics: synthesis, structure and a comparative account of the catalytic activity of newly synthesized oxidovanadium and oxido-peroxidovanadium complexes","New J. Chem.","2016","40","10","8696","","10.1039/C6NJ00767H","","","0.71073","MoKα","","0.0677","0.0455","","","0.1054","0.1154","","","","","","1.033","","","","has coordinates","187164","2020-10-21","18:00:00",""
"7055748","11.3846","0.0004","11.2191","0.0004","13.1581","0.0005","90","","91.2636","0.0005","90","","1680.21","0.11","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C16 H19 B F4 N3 O Rh -","- C16 H19 B F4 N3 O Rh -","- C64 H76 B4 F16 N12 O4 Rh4 -","4","1","","Yao, Zi-Jian; Li, Kuan; Zhang, Jian-Yong; Deng, Wei","[NO]- and [NN]-coordination mode rhodium complexes based on a flexible ligand: synthesis, reactivity and catalytic activity","New J. Chem.","2016","40","10","8753","","10.1039/C6NJ02416E","","","0.71073","MoKα","","0.0237","0.0204","","","0.0482","0.0502","","","","","","1.071","","","","has coordinates,has disorder","187166","2020-10-21","18:00:00",""
"7055749","10.9656","0.0005","10.4739","0.0005","13.1256","0.0006","90","","113.987","0.0006","90","","1377.32","0.11","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C16 H18 N3 O Rh -","- C16 H18 N3 O Rh -","- C64 H72 N12 O4 Rh4 -","4","1","","Yao, Zi-Jian; Li, Kuan; Zhang, Jian-Yong; Deng, Wei","[NO]- and [NN]-coordination mode rhodium complexes based on a flexible ligand: synthesis, reactivity and catalytic activity","New J. Chem.","2016","40","10","8753","","10.1039/C6NJ02416E","","","0.71073","MoKα","","0.0172","0.0167","","","0.0412","0.0415","","","","","","1.06","","","","has coordinates","187166","2020-10-21","18:00:00",""
"7055750","15.423","0.005","41.104","0.005","9.126","0.005","90","0.005","120.433","0.005","90","0.005","4988","3","327","2","327","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C32 H23 N3 S -","- C32 H23 N3 S -","- C256 H184 N24 S8 -","8","2","","Xu, Shasha; Zhu, Yingzhong; Li, Rui; Su, Jian; Li, Shengli; Zhou, Hongping; Wu, Jieying; Tian, Yupeng","Thiophene-based pyridine derivatives: synthesis, crystal structures, two-photon absorption properties and bio-imaging applications in the near-IR region","New J. Chem.","2016","40","10","8809","","10.1039/C6NJ00845C","","","0.71069","MoKα","","0.1083","0.0549","","","0.1573","0.2163","","","","","","0.78","","","","has coordinates","192220","2020-10-21","18:00:00",""
"7055751","13.288","0.005","40.706","0.005","9.1","0.005","90","0.005","95.255","0.005","90","0.005","4902","3","327","2","327","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C31 H22 N4 S -","- C31 H22 N4 S -","- C248 H176 N32 S8 -","8","2","","Xu, Shasha; Zhu, Yingzhong; Li, Rui; Su, Jian; Li, Shengli; Zhou, Hongping; Wu, Jieying; Tian, Yupeng","Thiophene-based pyridine derivatives: synthesis, crystal structures, two-photon absorption properties and bio-imaging applications in the near-IR region","New J. Chem.","2016","40","10","8809","","10.1039/C6NJ00845C","","","0.71069","MoKα","","0.1353","0.0561","","","0.1389","0.191","","","","","","0.923","","","","has coordinates","192220","2020-10-21","18:00:00",""
"7055752","15.6424","0.001","9.5888","0.0008","20.3871","0.0011","90","","108.266","0.006","90","","2903.8","0.4","297.56","0.19","297.56","0.19","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C36 H35 N5 -","- C36 H35 N5 -","- C144 H140 N20 -","4","0.5","","Li, Chunchun; Yang, Wen; Zhou, Weiqun; Zhang, Mengmeng; Xue, Renyu; Li, Mengying; Cheng, Zhongqin","Branching effect for aggregation-induced emission in fluorophores containing imine and triphenylamine structures","New J. Chem.","2016","40","10","8837","","10.1039/C6NJ01558A","","x-ray","0.71073","MoKα","","0.0829","0.0487","","","0.1427","0.1711","","","","","","0.982","","","","has coordinates","187165","2020-10-21","18:00:00",""
"7055753","7.6197","0.0018","18.829","0.005","15.36","0.004","90","","90.93","0.02","90","","2203.4","1","296","2","296","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C27 H25 N3 -","- C27 H25 N3 -","- C108 H100 N12 -","4","1","","Li, Chunchun; Yang, Wen; Zhou, Weiqun; Zhang, Mengmeng; Xue, Renyu; Li, Mengying; Cheng, Zhongqin","Branching effect for aggregation-induced emission in fluorophores containing imine and triphenylamine structures","New J. Chem.","2016","40","10","8837","","10.1039/C6NJ01558A","","","0.71073","MoKα","","0.1489","0.0589","","","0.1081","0.1453","","","","","","0.941","","","","has coordinates","187165","2020-10-21","18:00:00",""
"7055754","5.46953","0.00004","25.01189","0.00017","10.72878","0.00009","90","","113.059","0.0007","90","","1350.47","0.019","293","","293","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","1,1'-[4-hydroxy-2-(hydroxymethyl)-1,3-dioxolane-2,4-diyl]di(butan-1-one)","","- C12 H20 O6 -","- C12 H18 O6 -","- C48 H72 O24 -","4","1","","Trzewik, Bartosz; Chruszcz-Lipska, Katarzyna; Miłaczewska, Anna; Opalińska-Piskorz, Joanna; Karcz, Robert; Gryboś, Robert; Oszajca, Marcin; Luberda-Durnaś, Katarzyna; Łasocha, Wiesław; Fitch, Andy; Sulikowski, Bogdan; Borowski, Tomasz","Synthesis and the crystal structure of dimeric 1-hydroxyhexane-2,3-dione and the spectral characteristics of a model acireductone","New J. Chem.","2016","40","11","9291","","10.1039/C6NJ00562D","powder diffraction","x-ray","0.40087","synchrotron","","0.1309","0.1033","","0.0873","0.0834","","","","1.97","","","","","","","has coordinates","188256","2020-10-21","18:00:00",""
"7055755","5.4695","","25.0119","","10.7288","","90","","113.059","","90","","1350.46","","293","","293","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","1,1'-[4-hydroxy-2-(hydroxymethyl)-1,3-dioxolane-2,4-diyl]di(butan-1-one)","","- C12 H20 O6 -","- C12 H20 O6 -","- C48 H80 O24 -","4","1","","Trzewik, Bartosz; Chruszcz-Lipska, Katarzyna; Miłaczewska, Anna; Opalińska-Piskorz, Joanna; Karcz, Robert; Gryboś, Robert; Oszajca, Marcin; Luberda-Durnaś, Katarzyna; Łasocha, Wiesław; Fitch, Andy; Sulikowski, Bogdan; Borowski, Tomasz","Synthesis and the crystal structure of dimeric 1-hydroxyhexane-2,3-dione and the spectral characteristics of a model acireductone","New J. Chem.","2016","40","11","9291","","10.1039/C6NJ00562D","powder diffraction","x-ray","0.40087","synchrotron","","0.123","0.1149","","0.1279","0.1265","","","","2.59","","","","","","","has coordinates","188256","2020-10-21","18:00:00",""
"7055756","8.66567","0.00019","9.3865","0.0003","10.4897","0.0003","84.169","0.002","87.2611","0.0019","64.997","0.002","769.26","0.04","100","","100","","","","","","","","","4","P -1","-P 1","2","","4-ethenylbenzyl N'-[(E)-phenylmethylidene]carbamohydrazonothioate","","- C17 H17 N3 S -","- C17 H17 N3 S -","- C34 H34 N6 S2 -","2","1","","Markiewicz, Karolina H.; Zembko, Paula; Półtorak, Katarzyna; Misztalewska, Iwona; Wojtulewski, Sławomir; Majcher, Anna M.; Fornal, Emilia; Wilczewska, Agnieszka Z.","Magnetic nanoparticles with chelating shells prepared by RAFT/MADIX polymerization","New J. Chem.","2016","40","11","9223","","10.1039/C6NJ01938B","","x-ray","0.71073","MoKα","","0.0519","0.0404","","","0.1062","0.1179","","","","","","1.0978","","","","has coordinates","188259","2020-10-21","18:00:00",""
"7055757","9.4176","0.0002","10.2256","0.0002","11.864","0.0003","67.799","0.002","68.787","0.002","66.31","0.002","938.48","0.04","100.1","0.6","100.1","0.6","","","","","","","","6","P -1","-P 1","2","","(1E,2E)-1-{amino[(4-ethenylbenzyl)sulfanyl]methylidene}-2-benzylidenehydrazinium chloride - methanol (1:1:1)","","- C18 H22 Cl N3 O S -","- C18 H22 Cl N3 O S -","- C36 H44 Cl2 N6 O2 S2 -","2","1","","Markiewicz, Karolina H.; Zembko, Paula; Półtorak, Katarzyna; Misztalewska, Iwona; Wojtulewski, Sławomir; Majcher, Anna M.; Fornal, Emilia; Wilczewska, Agnieszka Z.","Magnetic nanoparticles with chelating shells prepared by RAFT/MADIX polymerization","New J. Chem.","2016","40","11","9223","","10.1039/C6NJ01938B","","x-ray","0.71073","MoKα","","0.0656","0.0446","","","0.1116","0.1258","","","","","","1.034","","","","has coordinates","188259","2020-10-21","18:00:00",""
"7055758","8.8665","0.0003","12.6487","0.0005","21.9234","0.0009","90","","90","","90","","2458.7","0.16","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C24 H29 N3 O6 S -","- C24 H29 N3 O6 S -","- C96 H116 N12 O24 S4 -","4","1","","Ingole, Tukaram S.; Kotmale, Amol S.; Gawade, Rupesh L.; Gonnade, Rajesh G.; Rajamohanan, Pattuparambil R.; Sanjayan, Gangadhar J.","3-Aminothiophenecarboxylic acid (3-Atc)-induced folding in peptides","New J. Chem.","2016","40","11","9205","","10.1039/C6NJ01667G","","","0.71073","MoKα","","0.033","0.0315","","","0.0793","0.0801","","","","","","1.067","","","","has coordinates","188268","2020-10-21","18:00:00",""
"7055759","16.6624","0.0017","15.2623","0.0014","19.0219","0.0016","90","","104.39","0.01","90","","4685.6","0.8","150","0.1","150","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C47 H58 Br Cu N2 O4 -","- C47 H58 Br Cu N2 O4 -","- C188 H232 Br4 Cu4 N8 O16 -","4","1","","Ourri, Benjamin; Tillement, Olivier; Tu, Tao; Jeanneau, Erwann; Darbost, Ulrich; Bonnamour, Isabelle","Copper complexes bearing an NHC–calixarene unit: synthesis and application in click chemistry","New J. Chem.","2016","40","11","9477","","10.1039/C6NJ02089E","","x-ray","1.54184","CuKα","","0.0905","0.074","","0.1745","0.1491","0.174","","","","","","1.0181","","","","has coordinates","288640","2024-01-03","12:53:03",""
"7055760","15.1315","0.0005","28.8618","0.0011","35.9491","0.0013","104.778","0.002","94.065","0.002","92.353","0.002","15113.8","1","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C162.5 H199.5 Cl2.5 N10 O12 S8 -","- C162.5 H199.5 Cl2.5 N10 O12 S8 -","- C650 H798 Cl10 N40 O48 S32 -","4","2","","Rahman, Shofiur; Tomiyasu, Hirotsugu; Kawazoe, Hiroto; Zhao, Jiang-Lin; Cong, Hang; Ni, Xin-Long; Zeng, Xi; Elsegood, Mark R. J.; Warwick, Thomas G.; Teat, Simon J.; Redshaw, Carl; Georghiou, Paris E.; Yamato, Takehiko","A study of anion binding behaviour of 1,3-alternate thiacalix[4]arene-based receptors bearing urea moieties","New J. Chem.","2016","40","11","9245","","10.1039/C6NJ00923A","","","0.7749","synchrotron","","0.11","0.0675","","","0.1629","0.1848","","","","","","1.007","","","","has coordinates,has disorder","188271","2020-10-21","18:00:00",""
"7055761","9.4119","0.0004","33.4898","0.0013","10.459","0.0004","90","","97.316","0.001","90","","3269.9","0.2","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C14 H22 Cl8 N10 P6 -","- C14 H22 Cl8 N10 P6 -","- C56 H88 Cl32 N40 P24 -","4","1","","Asmafiliz, Nuran; Kılıç, Zeynel; Civan, Mehmet; Avcı, Orhan; Yasemin Gönder (née Koç), L.; Açık, Leyla; Aydın, Betül; Türk, Mustafa; Hökelek, Tuncer","Phosphorus‒nitrogen compounds. Part 36. Syntheses, Langmuir‒Blodgett thin films and biological activities of spiro-bino-spiro trimeric phosphazenes","New J. Chem.","2016","40","11","9609","","10.1039/C6NJ02052F","","","0.71073","MoKα","","0.0783","0.0543","","","0.1293","0.1405","","","","","","1.035","","","","has coordinates","206489","2020-10-21","18:00:00",""
"7055762","12.5574","0.0006","17.0478","0.0008","16.6323","0.0008","90","","108.227","0.002","90","","3381.9","0.3","99","2","99","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C16 H26 Cl8 N10 P6 -","- C16 H26 Cl8 N10 P6 -","- C64 H104 Cl32 N40 P24 -","4","1","","Asmafiliz, Nuran; Kılıç, Zeynel; Civan, Mehmet; Avcı, Orhan; Yasemin Gönder (née Koç), L.; Açık, Leyla; Aydın, Betül; Türk, Mustafa; Hökelek, Tuncer","Phosphorus‒nitrogen compounds. Part 36. Syntheses, Langmuir‒Blodgett thin films and biological activities of spiro-bino-spiro trimeric phosphazenes","New J. Chem.","2016","40","11","9609","","10.1039/C6NJ02052F","","","0.71073","MoKα","","0.0869","0.0551","","","0.105","0.1259","","","","","","1.088","","","","has coordinates","188263","2020-10-21","18:00:00",""
"7055763","38.868","0.002","9.1882","0.0006","16.6047","0.001","90","","104.465","0.003","90","","5742","0.6","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C23 H42 N8 O P3 -","- C23 H42 N8 O P3 -","- C184 H336 N64 O8 P24 -","8","1","","Asmafiliz, Nuran; Kılıç, Zeynel; Civan, Mehmet; Avcı, Orhan; Yasemin Gönder (née Koç), L.; Açık, Leyla; Aydın, Betül; Türk, Mustafa; Hökelek, Tuncer","Phosphorus‒nitrogen compounds. Part 36. Syntheses, Langmuir‒Blodgett thin films and biological activities of spiro-bino-spiro trimeric phosphazenes","New J. Chem.","2016","40","11","9609","","10.1039/C6NJ02052F","","","0.71073","MoKα","","0.0999","0.0608","","","0.1683","0.1955","","","","","","1.027","","","","has coordinates","188263","2020-10-21","18:00:00",""
"7055764","13.0886","0.0003","18.8973","0.0005","15.2742","0.0004","90","","90","","90","","3777.91","0.17","100","2","100","2","","","","","","","","5","P n a 21","P 2c -2n","33","HbimcaIPr2HBr","3,6-Di-tert-butyl-1,8-bis(3-isopropylimidazolium)carbazole dibromide","","- C35 H51 Br2 N5 O -","- C35 H51 Br2 N5 O -","- C140 H204 Br8 N20 O4 -","4","1","","Jürgens, Eva; Buys, Kai N.; Schmidt, Anna-Theresa; Furfari, Samantha K.; Cole, Marcus L.; Moser, Michael; Rominger, Frank; Kunz, Doris","Optimised synthesis of monoanionic bis(NHC)-pincer ligand precursors and their Li-complexes","New J. Chem.","2016","40","11","9160","","10.1039/C6NJ01941B","","","0.71073","MoKα","","0.0495","0.0334","","","0.0655","0.0699","","","","","","1.027","","","","has coordinates","188258","2020-10-21","18:00:00",""
"7055765","13.3028","0.0015","17.311","0.002","16.0809","0.0018","90","","90","","90","","3703.2","0.7","100","2","100","2","","","","","","","","5","P n a 21","P 2c -2n","33","H(bimcaAllyl)2HBr","3,6-Di-tert-butyl-1,8-bis(3-(1-allyl)imidazolium)carbazole dibromide","","- C35 H49 Br2 N5 O2 -","- C35 H49 Br2 N5 O2 -","- C140 H196 Br8 N20 O8 -","4","1","","Jürgens, Eva; Buys, Kai N.; Schmidt, Anna-Theresa; Furfari, Samantha K.; Cole, Marcus L.; Moser, Michael; Rominger, Frank; Kunz, Doris","Optimised synthesis of monoanionic bis(NHC)-pincer ligand precursors and their Li-complexes","New J. Chem.","2016","40","11","9160","","10.1039/C6NJ01941B","","","0.71073","MoKα","","0.0785","0.0466","","","0.1023","0.1155","","","","","","1.035","","","","has coordinates,has disorder","188258","2020-10-21","18:00:00",""
"7055766","20.2134","0.0017","14.5713","0.0012","25.883","0.003","90","","111.234","0.002","90","","7105.9","1.2","150","2","150","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","H(bimcaC5)2HBr","","","- C33 H42 Br2 N6 -","- C33 H42 Br2 N6 -","- C264 H336 Br16 N48 -","8","1","","Jürgens, Eva; Buys, Kai N.; Schmidt, Anna-Theresa; Furfari, Samantha K.; Cole, Marcus L.; Moser, Michael; Rominger, Frank; Kunz, Doris","Optimised synthesis of monoanionic bis(NHC)-pincer ligand precursors and their Li-complexes","New J. Chem.","2016","40","11","9160","","10.1039/C6NJ01941B","","","0.71073","MoKα","","0.0725","0.0446","","","0.1107","0.1224","","","","","","1.041","","","","has coordinates,has disorder","188258","2020-10-21","18:00:00",""
"7055767","14.5894","0.0007","25.35","0.0011","10.6923","0.0005","90","","94.759","0.001","90","","3940.8","0.3","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","H(bimcaBn)2HBr","3,6-Di-tert-butyl-1,8-bis(3-benzylimidazolium)carbazole dibromide","","- C41 H45 Br2 Cl2 N5 -","- C41 H45 Br2 Cl2 N5 -","- C164 H180 Br8 Cl8 N20 -","4","1","","Jürgens, Eva; Buys, Kai N.; Schmidt, Anna-Theresa; Furfari, Samantha K.; Cole, Marcus L.; Moser, Michael; Rominger, Frank; Kunz, Doris","Optimised synthesis of monoanionic bis(NHC)-pincer ligand precursors and their Li-complexes","New J. Chem.","2016","40","11","9160","","10.1039/C6NJ01941B","","","0.71073","MoKα","","0.0518","0.0398","","","0.0992","0.1047","","","","","","1.058","","","","has coordinates,has disorder","188258","2020-10-21","18:00:00",""
"7055768","15.331","0.002","10.6223","0.0014","25.494","0.003","90","","90","","90","","4151.7","0.9","100","2","100","2","","","","","","","","5","P b c m","-P 2c 2b","57","HbimcaPh2HBF4","3,6-Di-tert-butyl-1,8-bis(3-phenylimidazolium)carbazole bis(tetrafluoroborate)","","- C38 H39 B2 F8 N5 -","- C38 H39 B2 F8 N5 -","- C152 H156 B8 F32 N20 -","4","0.5","","Jürgens, Eva; Buys, Kai N.; Schmidt, Anna-Theresa; Furfari, Samantha K.; Cole, Marcus L.; Moser, Michael; Rominger, Frank; Kunz, Doris","Optimised synthesis of monoanionic bis(NHC)-pincer ligand precursors and their Li-complexes","New J. Chem.","2016","40","11","9160","","10.1039/C6NJ01941B","","","0.71073","MoKα","","0.1015","0.0636","","","0.1224","0.1379","","","","","","1.078","","","","has coordinates","188258","2020-10-21","18:00:00",""
"7055769","29.213","0.009","13.853","0.004","22.665","0.007","90","","103.529","0.014","90","","8918","5","150","","150","","","","","","","","deprotonation of parent carbazole","6","C 1 2/c 1","-C 2yc","15","Li(bimcaiPr)LiI(DME)","","","- C36 H47 I Li2 N5 O2 -","- C36 H47 I Li2 N5 O2 -","- C288 H376 I8 Li16 N40 O16 -","8","1","","Jürgens, Eva; Buys, Kai N.; Schmidt, Anna-Theresa; Furfari, Samantha K.; Cole, Marcus L.; Moser, Michael; Rominger, Frank; Kunz, Doris","Optimised synthesis of monoanionic bis(NHC)-pincer ligand precursors and their Li-complexes","New J. Chem.","2016","40","11","9160","","10.1039/C6NJ01941B","","x-ray","0.71073","MoKα","","0.1762","0.0662","","","0.1943","0.2578","","","","","","0.9636","","","","has coordinates,has disorder","188258","2020-10-21","18:00:00",""
"7055770","13.948","0.002","11.4011","0.0019","43.494","0.007","90","","90","","90","","6916.5","1.9","200","2","200","2","","","","","","","","6","P b c n","-P 2n 2ab","60","HbimcaEt2HBF4","3,6-Di-tert-butyl-1,8-bis(3-ethylimidazolium)carbazole bis(tetrafluoroborate)","","- C32 H43 B2 F8 N5 O0.74 -","- C32 H43 B2 F8 N5 O0.743 -","- C256 H344 B16 F64 N40 O5.944 -","8","1","","Jürgens, Eva; Buys, Kai N.; Schmidt, Anna-Theresa; Furfari, Samantha K.; Cole, Marcus L.; Moser, Michael; Rominger, Frank; Kunz, Doris","Optimised synthesis of monoanionic bis(NHC)-pincer ligand precursors and their Li-complexes","New J. Chem.","2016","40","11","9160","","10.1039/C6NJ01941B","","","0.71073","MoKα","","0.1001","0.0666","","","0.1577","0.1797","","","","","","1.082","","","","has coordinates,has disorder","188258","2020-10-21","18:00:00",""
"7055771","11.373","0.006","18.404","0.01","23.13","0.012","69.64","0.02","80.26","0.02","76.44","0.02","4392","4","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C32 H43 I2 N5 -","- C32 H43 I2 N5 -","- C128 H172 I8 N20 -","4","2","","Jürgens, Eva; Buys, Kai N.; Schmidt, Anna-Theresa; Furfari, Samantha K.; Cole, Marcus L.; Moser, Michael; Rominger, Frank; Kunz, Doris","Optimised synthesis of monoanionic bis(NHC)-pincer ligand precursors and their Li-complexes","New J. Chem.","2016","40","11","9160","","10.1039/C6NJ01941B","","x-ray","0.71073","MoKα","","0.1517","0.0692","","","0.2023","0.2583","","","","","","0.952","","","","has coordinates,has disorder","213925","2020-10-21","18:00:00",""
"7055772","15.772","0.004","26.504","0.006","17.489","0.004","90","","90.083","0.003","90","","7311","3","173.15","","173.15","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C39 H48 Br2 N4 Ni O -","- C39 H48 Br2 N4 Ni O -","- C312 H384 Br16 N32 Ni8 O8 -","8","2","","Huang, Chuanbing; Zhang, Youfu; Liang, Tongling; Zhao, Zhijuan; Hu, Xinquan; Sun, Wen-Hua","Rigid geometry 8-arylimino-7,7-dimethyl-5,6-dihydroquinolyl nickel bromides: single-site active species towards ethylene polymerization","New J. Chem.","2016","40","11","9329","","10.1039/C6NJ02464E","","","0.71073","MoKα","","0.0929","0.0746","","","0.111","0.1173","","","","","","1.169","","","","has coordinates,has disorder","188260","2020-10-21","18:00:00",""
"7055773","25.088","0.004","25.088","0.004","13.251","0.003","90","","90","","90","","8340","3","173.15","","173.15","","","","","","","","","5","P 4/n","-P 4a","85","","","","- C40 H48 Br2 N4 Ni -","- C40 H48 Br2 N4 Ni -","- C320 H384 Br16 N32 Ni8 -","8","","","Huang, Chuanbing; Zhang, Youfu; Liang, Tongling; Zhao, Zhijuan; Hu, Xinquan; Sun, Wen-Hua","Rigid geometry 8-arylimino-7,7-dimethyl-5,6-dihydroquinolyl nickel bromides: single-site active species towards ethylene polymerization","New J. Chem.","2016","40","11","9329","","10.1039/C6NJ02464E","","","0.71073","MoKα","","0.0842","0.0757","","","0.1536","0.1576","","","","","","1.213","","","","has coordinates","188260","2020-10-21","18:00:00",""
"7055774","35.144","0.007","10.1699","0.0017","33.644","0.006","90","","148.402","0.008","90","","6300","2","298","2","298","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C27 H27 N7 O10 S Zn -","- C27 H27 N7 O10 S Zn -","- C216 H216 N56 O80 S8 Zn8 -","8","1","","Li, Xiang; Dong, Xiongwei; Liu, Yaojing; Meng, Yan; Zhang, Yong; Zhang, Dan; Liu, Changlin","Ultraviolet irradiation-mediated formation of Aβ42 oligomers and reactive oxygen species in Zn2±bound Aβ42 aggregates irrespective of the removal of Zn2+","New J. Chem.","2016","40","11","9385","","10.1039/C6NJ02004F","","","0.71073","MoKα","","0.094","0.0838","","","0.2188","0.2262","","","","","","1.118","","","","has coordinates,has disorder","194616","2020-10-21","18:00:00",""
"7055775","12.8554","0.0006","13.0685","0.0006","13.4125","0.0006","85.321","0.004","83.005","0.004","82.019","0.004","2210.08","0.18","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C53 H50 Cl2 O8 -","- C53 H50 Cl2 O8 -","- C106 H100 Cl4 O16 -","2","1","","Boinski, T.; Cieszkowski, A.; Rosa, B.; Leśniewska, B.; Szumna, A.","Calixarenes with naphthalene units: calix[4]naphthalenes and hybrid[4]arenes","New J. Chem.","2016","40","10","8892","","10.1039/C6NJ01736C","","x-ray","1.54184","CuKα","","0.0939","0.0616","","","0.1655","0.1908","","","","","","1.033","","","","has coordinates","187174","2020-10-21","18:00:00",""
"7055776","6.66","0.003","17.17","0.006","10.738","0.003","90","","94.13","0.03","90","","1224.7","0.8","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C28 H20 Cu2 N4 O6 -","- C28 H20 Cu2 N4 O6 -","- C56 H40 Cu4 N8 O12 -","2","0.5","","Vrdoljak, Višnja; Pavlović, Gordana; Maltar-Strmečki, Nadica; Cindrić, Marina","Copper(ii) hydrazone complexes with different nuclearities and geometries: synthetic methods and ligand substituent effects","New J. Chem.","2016","40","11","9263","","10.1039/C6NJ01036A","","","0.71073","MoKα","","0.043","0.0308","","","0.0696","0.0735","","","","","","1.031","","","","has coordinates","188273","2020-10-21","18:00:00",""
"7055777","38.0051","0.0015","12.0227","0.0003","7.3639","0.0018","90","","90","","90","","3364.7","0.8","296","2","296","2","","","","","","","","5","I b a 2","I 2 -2c","45","","","","- C19 H15 Cu N3 O3 -","- C19 H15 Cu N3 O3 -","- C152 H120 Cu8 N24 O24 -","8","1","","Vrdoljak, Višnja; Pavlović, Gordana; Maltar-Strmečki, Nadica; Cindrić, Marina","Copper(ii) hydrazone complexes with different nuclearities and geometries: synthetic methods and ligand substituent effects","New J. Chem.","2016","40","11","9263","","10.1039/C6NJ01036A","","","1.5418","CuKα","","0.0346","0.0335","","","0.0963","0.0974","","","","","","1.044","","","","has coordinates","188273","2020-10-21","18:00:00",""
"7055778","25.8273","0.0011","21.2967","0.0016","23.5033","0.0015","90","","94.619","0.005","90","","12885.7","1.4","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C60.5 H53.5 Cu4 N8 O21.5 -","- C60.5 H53.5 Cu4 N8 O21.5 -","- C484 H428 Cu32 N64 O172 -","8","2","","Vrdoljak, Višnja; Pavlović, Gordana; Maltar-Strmečki, Nadica; Cindrić, Marina","Copper(ii) hydrazone complexes with different nuclearities and geometries: synthetic methods and ligand substituent effects","New J. Chem.","2016","40","11","9263","","10.1039/C6NJ01036A","","","0.71073","MoKα","","0.1545","0.0894","","","0.181","0.2066","","","","","","1.055","","","","has coordinates","192220","2020-10-21","18:00:00",""
"7055779","29.0398","0.0018","25.7429","0.0009","24.4687","0.0015","90","","129.863","0.01","90","","14041","2","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C65.6 H56 Cu4 N8 O19 -","- C65.6 H56 Cu4 N8 O19 -","- C524.8 H448 Cu32 N64 O152 -","8","1","","Vrdoljak, Višnja; Pavlović, Gordana; Maltar-Strmečki, Nadica; Cindrić, Marina","Copper(ii) hydrazone complexes with different nuclearities and geometries: synthetic methods and ligand substituent effects","New J. Chem.","2016","40","11","9263","","10.1039/C6NJ01036A","","","0.71073","MoKα","","0.0744","0.0567","","","0.1609","0.1721","","","","","","1.022","","","","has coordinates","188273","2020-10-21","18:00:00",""
"7055780","13.7365","0.0009","8.0055","0.0007","16.5631","0.0012","90","","94.824","0.007","90","","1815","0.2","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H17 Cu N3 O4 -","- C20 H17 Cu N3 O4 -","- C80 H68 Cu4 N12 O16 -","4","1","","Vrdoljak, Višnja; Pavlović, Gordana; Maltar-Strmečki, Nadica; Cindrić, Marina","Copper(ii) hydrazone complexes with different nuclearities and geometries: synthetic methods and ligand substituent effects","New J. Chem.","2016","40","11","9263","","10.1039/C6NJ01036A","","","0.71073","MoKα","","0.1348","0.0613","","","0.1009","0.1253","","","","","","0.944","","","","has coordinates","188273","2020-10-21","18:00:00",""
"7055781","12.474","0.0004","25.8954","0.0008","8.5646","0.0002","90","","90","","90","","2766.53","0.14","296","2","296","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C30 H24 Cu2 N4 O8 -","- C30 H24 Cu2 N4 O8 -","- C120 H96 Cu8 N16 O32 -","4","0.5","","Vrdoljak, Višnja; Pavlović, Gordana; Maltar-Strmečki, Nadica; Cindrić, Marina","Copper(ii) hydrazone complexes with different nuclearities and geometries: synthetic methods and ligand substituent effects","New J. Chem.","2016","40","11","9263","","10.1039/C6NJ01036A","","","1.5418","CuKα","","0.0473","0.04","","","0.1122","0.1177","","","","","","1.043","","","","has coordinates","188273","2020-10-21","18:00:00",""
"7055782","7.1772","0.0005","26.5801","0.0015","8.2529","0.0006","90","","97.208","0.006","90","","1561.97","0.18","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C32 H32 Cu2 N4 O10 -","- C32 H32 Cu2 N4 O10 -","- C64 H64 Cu4 N8 O20 -","2","0.5","","Vrdoljak, Višnja; Pavlović, Gordana; Maltar-Strmečki, Nadica; Cindrić, Marina","Copper(ii) hydrazone complexes with different nuclearities and geometries: synthetic methods and ligand substituent effects","New J. Chem.","2016","40","11","9263","","10.1039/C6NJ01036A","","","0.71073","MoKα","","0.0367","0.0298","","","0.0709","0.0734","","","","","","1.088","","","","has coordinates","188273","2020-10-21","18:00:00",""
"7055783","15.3005","0.0005","16.0897","0.0006","12.2535","0.0004","90","","93.027","0.001","90","","3012.36","0.18","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H38 Cl2 N6 Pd -","- C28 H38 Cl2 N6 Pd -","- C112 H152 Cl8 N24 Pd4 -","4","1","","Yang, Jin","Mono- and dinuclear palladium(ii) complexes containing both N-heterocyclic carbenes and tetrazole ligands as catalysts for Hiyama coupling","New J. Chem.","2016","40","11","9739","","10.1039/C6NJ02320G","","","0.71073","MoKα","","0.0312","0.0267","","","0.0706","0.0761","","","","","","0.96","","","","has coordinates","188255","2020-10-21","18:00:00",""
"7055784","15.464","0.011","16.201","0.012","12.484","0.009","90","","92.812","0.013","90","","3124","4","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H40 Cl2 N6 Pd -","- C28 H40 Cl2 N6 Pd -","- C112 H160 Cl8 N24 Pd4 -","4","1","","Yang, Jin","Mono- and dinuclear palladium(ii) complexes containing both N-heterocyclic carbenes and tetrazole ligands as catalysts for Hiyama coupling","New J. Chem.","2016","40","11","9739","","10.1039/C6NJ02320G","","","0.71073","MoKα","","0.0446","0.035","","","0.1107","0.1316","","","","","","1.06","","","","has coordinates","188255","2020-10-21","18:00:00",""
"7055785","14.712","0.004","15.207","0.004","20.231","0.005","68.845","0.004","72.185","0.004","63.367","0.003","3716.4","1.7","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C137 H170 Cl10 N24 Pd4 -","- C137 H170 Cl10 N24 Pd4 -","- C137 H170 Cl10 N24 Pd4 -","1","0.5","","Yang, Jin","Mono- and dinuclear palladium(ii) complexes containing both N-heterocyclic carbenes and tetrazole ligands as catalysts for Hiyama coupling","New J. Chem.","2016","40","11","9739","","10.1039/C6NJ02320G","","","0.71073","MoKα","","0.0424","0.0317","","","0.0803","0.0886","","","","","","1.044","","","","has coordinates","188255","2020-10-21","18:00:00",""
"7055786","12.022","0.009","20.9","0.016","16.374","0.012","90","","103.443","0.011","90","","4001","5","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C35 H46 Cl4 N6 Pd -","- C35 H46 Cl4 N6 Pd -","- C140 H184 Cl16 N24 Pd4 -","4","1","","Yang, Jin","Mono- and dinuclear palladium(ii) complexes containing both N-heterocyclic carbenes and tetrazole ligands as catalysts for Hiyama coupling","New J. Chem.","2016","40","11","9739","","10.1039/C6NJ02320G","","","0.71073","MoKα","","0.2582","0.0571","","","0.1631","0.2103","","","","","","1.052","","","","has coordinates","188255","2020-10-21","18:00:00",""
"7055787","12.632","0.016","15.5","0.02","19.61","0.03","79.27","0.02","85.87","0.02","81.4","0.02","3726","9","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C61 H77 Cl3 N8 Pd2 -","- C61 H77 Cl3 N8 Pd2 -","- C122 H154 Cl6 N16 Pd4 -","2","1","","Yang, Jin","Mono- and dinuclear palladium(ii) complexes containing both N-heterocyclic carbenes and tetrazole ligands as catalysts for Hiyama coupling","New J. Chem.","2016","40","11","9739","","10.1039/C6NJ02320G","","","0.71073","MoKα","","0.1633","0.0734","","","0.1225","0.1359","","","","","","1.021","","","","has coordinates,has disorder","188255","2020-10-21","18:00:00",""
"7055788","12.7041","0.0018","15.216","0.002","19.059","0.003","80.336","0.002","84.728","0.002","81.324","0.002","3582","0.9","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C125 H168 Cl12 N16 Pd4 -","- C125 H168 Cl12 N16 Pd4 -","- C125 H168 Cl12 N16 Pd4 -","1","0.5","","Yang, Jin","Mono- and dinuclear palladium(ii) complexes containing both N-heterocyclic carbenes and tetrazole ligands as catalysts for Hiyama coupling","New J. Chem.","2016","40","11","9739","","10.1039/C6NJ02320G","","","0.71073","MoKα","","0.0469","0.0365","","","0.096","0.1062","","","","","","1.036","","","","has coordinates,has disorder","188255","2020-10-21","18:00:00",""
"7055789","9.025","0.004","9.025","0.004","10.2","0.004","90","","90","","90","","830.8","0.6","293","2","293","2","","","","","","","","4","P 41","P 4w","76","","","","- C6 H9 N3 O2 -","- C6 H9 N3 O2 -","- C24 H36 N12 O8 -","4","1","","Dîrtu, Marinela M.; Adarsh, N. N.; Naik, Anil D.; Robeyns, Koen; Garcia, Yann","Supramolecular homochiral helicity and zigzag hydrogen bonded chains in 1,2,4-triazole derived aminoester and aminoacid","New J. Chem.","2016","40","11","9025","","10.1039/C6NJ01687A","","","0.71069","MoKα","","0.0357","0.0317","","","0.082","0.0854","","","","","","1.096","","","","has coordinates,has disorder","188257","2020-10-21","18:00:00",""
"7055790","9.7498","0.0005","10.711","0.0004","12.7361","0.0006","90","","90","","90","","1330.03","0.11","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C5 H7 N3 O2 -","- C5 H7 N3 O2 -","- C40 H56 N24 O16 -","8","2","","Dîrtu, Marinela M.; Adarsh, N. N.; Naik, Anil D.; Robeyns, Koen; Garcia, Yann","Supramolecular homochiral helicity and zigzag hydrogen bonded chains in 1,2,4-triazole derived aminoester and aminoacid","New J. Chem.","2016","40","11","9025","","10.1039/C6NJ01687A","","","0.71073","MoKα","","0.0529","0.0438","","","0.0981","0.1038","","","","","","1.089","","","","has coordinates,has disorder","188257","2020-10-21","18:00:00",""
"7055791","14.9452","0.0005","18.7424","0.0006","18.6507","0.0005","90","","107.16","0.001","90","","4991.7","0.3","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Ti3","","- C42 H64 N2 O7 Ti2 -","- C42 H64 N2 O7 Ti2 -","- C168 H256 N8 O28 Ti8 -","4","1","","Mandal, Mrinmay; Monkowius, Uwe; Chakraborty, Debashis","Synthesis and structural characterization of titanium and zirconium complexes containing half-salen ligands as catalysts for polymerization reactions","New J. Chem.","2016","","","","","10.1039/C6NJ02148D","","","0.71073","MoKα","","0.0705","0.0459","","","0.1243","0.1347","","","","","","1.029","","","","has coordinates","186873","2020-10-21","18:00:00",""
"7055792","10.3126","0.0003","12.8248","0.0005","12.9776","0.0004","63.2283","0.0019","68.1217","0.0013","66.2981","0.0014","1364.07","0.08","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","Ti2","","- C26 H26 Cl4 N2 O4 Ti -","- C26 H26 Cl4 N2 O4 Ti -","- C52 H52 Cl8 N4 O8 Ti2 -","2","1","","Mandal, Mrinmay; Monkowius, Uwe; Chakraborty, Debashis","Synthesis and structural characterization of titanium and zirconium complexes containing half-salen ligands as catalysts for polymerization reactions","New J. Chem.","2016","","","","","10.1039/C6NJ02148D","","","0.71073","MoKα","","0.0439","0.0336","","","0.0776","0.0831","","","","","","1.032","","","","has coordinates","186873","2020-10-21","18:00:00",""
"7055793","14.4864","0.0009","17.4311","0.0013","16.5711","0.0016","90","","104.72","0.003","90","","4047.1","0.6","296","2","296","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","Ti1","","- C36 H50 N2 O4 Ti -","- C36 H50 N2 O4 Ti -","- C144 H200 N8 O16 Ti4 -","4","0.5","","Mandal, Mrinmay; Monkowius, Uwe; Chakraborty, Debashis","Synthesis and structural characterization of titanium and zirconium complexes containing half-salen ligands as catalysts for polymerization reactions","New J. Chem.","2016","","","","","10.1039/C6NJ02148D","","","0.71073","MoKα","","0.0626","0.0451","","","0.1357","0.1426","","","","","","1.103","","","","has coordinates","186873","2020-10-21","18:00:00",""
"7055794","20.5673","0.0008","13.9216","0.0005","29.0288","0.001","90","","108.378","0.001","90","","7887.9","0.5","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Zr1","","- C72 H100 N4 O8 Zr2 -","- C72 H100 N4 O8 Zr2 -","- C288 H400 N16 O32 Zr8 -","4","1","","Mandal, Mrinmay; Monkowius, Uwe; Chakraborty, Debashis","Synthesis and structural characterization of titanium and zirconium complexes containing half-salen ligands as catalysts for polymerization reactions","New J. Chem.","2016","","","","","10.1039/C6NJ02148D","","","0.71073","MoKα","","0.0542","0.0402","","","0.1089","0.1153","","","","","","1.016","","","","has coordinates","186873","2020-10-21","18:00:00",""
"7055795","6.4177","0.0002","12.5899","0.0005","16.6644","0.0007","90","","90","","90","","1346.45","0.09","150","2","150","2","","","","","","","synthesis as described","5","P 21 21 21","P 2ac 2ab","19","","","","- C12 H9 N O S4 -","- C12 H9 N O S4 -","- C48 H36 N4 O4 S16 -","4","1","","Le Gal, Yann; Ameline, Dorine; Vacher, Antoine; Roisnel, Thierry; Dorcet, Vincent; Lorcy, Dominique","Chiral 1,2-dithiine as a sulfur rich electron acceptor","New J. Chem.","2016","40","12","9930","","10.1039/C6NJ02292H","","x-ray","0.71073","MoKα","","0.0226","0.0214","","","0.0521","0.0527","","","","","","1.061","","","","has coordinates","190228","2020-10-21","18:00:00",""
"7055796","6.3994","0.0014","12.57","0.003","16.622","0.004","90","","90","","90","","1337.1","0.5","150","2","150","2","","","","","","","synthesis as described","5","P 21 21 21","P 2ac 2ab","19","","","","- C12 H9 N O S4 -","- C12 H9 N O S4 -","- C48 H36 N4 O4 S16 -","4","1","","Le Gal, Yann; Ameline, Dorine; Vacher, Antoine; Roisnel, Thierry; Dorcet, Vincent; Lorcy, Dominique","Chiral 1,2-dithiine as a sulfur rich electron acceptor","New J. Chem.","2016","40","12","9930","","10.1039/C6NJ02292H","","x-ray","0.71073","MoKα","","0.032","0.0302","","","0.0714","0.0726","","","","","","1.045","","","","has coordinates","190228","2020-10-21","18:00:00",""
"7055797","8.4457","0.0006","15.309","0.0012","23.682","0.002","90","","90","","90","","3062","0.4","150","2","150","2","","","","","","","synthesis as described","4","P 21 21 21","P 2ac 2ab","19","","","","- C22 H18 N2 S14 -","- C22 H18 N2 S14 -","- C88 H72 N8 S56 -","4","1","","Le Gal, Yann; Ameline, Dorine; Vacher, Antoine; Roisnel, Thierry; Dorcet, Vincent; Lorcy, Dominique","Chiral 1,2-dithiine as a sulfur rich electron acceptor","New J. Chem.","2016","40","12","9930","","10.1039/C6NJ02292H","","x-ray","0.71073","MoKα","","0.0581","0.0454","","","0.0892","0.0944","","","","","","1.077","","","","has coordinates","190228","2020-10-21","18:00:00",""
"7055798","8.4463","0.0002","15.31","0.0004","23.6692","0.0007","90","","90","","90","","3060.73","0.14","150","2","150","2","","","","","","","synthesis as described","4","P 21 21 21","P 2ac 2ab","19","","","","- C22 H18 N2 S14 -","- C22 H18 N2 S14 -","- C88 H72 N8 S56 -","4","1","","Le Gal, Yann; Ameline, Dorine; Vacher, Antoine; Roisnel, Thierry; Dorcet, Vincent; Lorcy, Dominique","Chiral 1,2-dithiine as a sulfur rich electron acceptor","New J. Chem.","2016","40","12","9930","","10.1039/C6NJ02292H","","x-ray","0.71073","MoKα","","0.0358","0.0302","","","0.0631","0.0651","","","","","","1.025","","","","has coordinates","190228","2020-10-21","18:00:00",""
"7055799","7.5555","0.0002","9.9153","0.0003","11.7151","0.0003","102.312","0.002","108.492","0.003","102.9","0.003","772.07","0.04","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H26 Cu2 N6 O12 -","- C26 H26 Cu2 N6 O12 -","- C26 H26 Cu2 N6 O12 -","1","0.5","","Martins, Nuno M. R.; Mahmudov, Kamran T.; Guedes da Silva, M. Fátima C.; Martins, Luísa M. D. R. S.; Pombeiro, Armando J. L.","Copper(ii) and iron(iii) complexes with arylhydrazone of ethyl 2-cyanoacetate or formazan ligands as catalysts for oxidation of alcohols","New J. Chem.","2016","40","12","10071","","10.1039/C6NJ02161A","","","0.71073","MoKα","","0.0453","0.0349","","","0.0883","0.0936","","","","","","1.122","","","","has coordinates","190231","2020-10-21","18:00:00",""
"7055800","8.3116","0.0005","10.4327","0.0008","10.7676","0.0008","105.623","0.004","92.203","0.004","109.315","0.003","840.18","0.11","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C15 H16 Cu N4 O6 -","- C15 H16 Cu N4 O6 -","- C30 H32 Cu2 N8 O12 -","2","1","","Martins, Nuno M. R.; Mahmudov, Kamran T.; Guedes da Silva, M. Fátima C.; Martins, Luísa M. D. R. S.; Pombeiro, Armando J. L.","Copper(ii) and iron(iii) complexes with arylhydrazone of ethyl 2-cyanoacetate or formazan ligands as catalysts for oxidation of alcohols","New J. Chem.","2016","40","12","10071","","10.1039/C6NJ02161A","","","0.71073","MoKα","","0.0831","0.0494","","","0.1026","0.1194","","","","","","1.148","","","","has coordinates","190231","2020-10-21","18:00:00",""
"7055801","30.61","0.003","6.93","0.0006","23.4642","0.0019","90","","103.391","0.003","90","","4842.1","0.7","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C17 H31 Cu N7 O7 -","- C17 H31 Cu N7 O7 -","- C136 H248 Cu8 N56 O56 -","8","1","","Martins, Nuno M. R.; Mahmudov, Kamran T.; Guedes da Silva, M. Fátima C.; Martins, Luísa M. D. R. S.; Pombeiro, Armando J. L.","Copper(ii) and iron(iii) complexes with arylhydrazone of ethyl 2-cyanoacetate or formazan ligands as catalysts for oxidation of alcohols","New J. Chem.","2016","40","12","10071","","10.1039/C6NJ02161A","","","0.71069","MoKα","","0.0643","0.0412","","","0.0866","0.0931","","","","","","0.996","","","","has coordinates","190231","2020-10-21","18:00:00",""
"7055802","13.9488","0.0013","9.8504","0.001","15.1432","0.0015","90","","112.754","0.003","90","","1918.8","0.3","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C12 H7 Fe N22 -","- C12 H7 Fe N22 -","- C48 H28 Fe4 N88 -","4","1","","Martins, Nuno M. R.; Mahmudov, Kamran T.; Guedes da Silva, M. Fátima C.; Martins, Luísa M. D. R. S.; Pombeiro, Armando J. L.","Copper(ii) and iron(iii) complexes with arylhydrazone of ethyl 2-cyanoacetate or formazan ligands as catalysts for oxidation of alcohols","New J. Chem.","2016","40","12","10071","","10.1039/C6NJ02161A","","","0.71069","MoKα","","0.1112","0.0592","","","0.1359","0.1555","","","","","","1.011","","","","has coordinates","190231","2020-10-21","18:00:00",""
"7055803","8.1872","0.0006","16.9482","0.0013","11.7093","0.0009","90","","101.284","0.004","90","","1593.4","0.2","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H38 Cu3 N4 O16 -","- C26 H38 Cu3 N4 O16 -","- C52 H76 Cu6 N8 O32 -","2","0.5","","Ansari, Istikhar A.; Sama, Farasha; Raizada, Mukul; Shahid, M.; Ahmad, Musheer; Siddiqi, Zafar A.","Structurally well-characterized new multinuclear Cu(II) and Zn(II) clusters: X-ray crystallography, theoretical studies, and applications in catalysis","New J. Chem.","2016","","","","","10.1039/C6NJ02150F","","","0.71073","MoKα","","0.0417","0.031","","","0.0791","0.0843","","","","","","1.035","","","","has coordinates","186924","2020-10-21","18:00:00",""
"7055804","14.49","0.04","11.44","0.03","18.17","0.05","90","","109.49","0.05","90","","2839","13","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C27 H31 N O10 Zn2 -","- C27 H31 N O10 Zn2 -","- C108 H124 N4 O40 Zn8 -","4","1","","Ansari, Istikhar A.; Sama, Farasha; Raizada, Mukul; Shahid, M.; Ahmad, Musheer; Siddiqi, Zafar A.","Structurally well-characterized new multinuclear Cu(II) and Zn(II) clusters: X-ray crystallography, theoretical studies, and applications in catalysis","New J. Chem.","2016","","","","","10.1039/C6NJ02150F","","","0.71073","MoKα","","0.0791","0.0407","","","0.0785","0.0898","","","","","","1.039","","","","has coordinates","186924","2020-10-21","18:00:00",""
"7055805","8.9621","0.0012","10.9006","0.0015","17.225","0.002","90","","97.285","0.002","90","","1669.2","0.4","293","2","293","2","","","","","","","","8","P 1 2/c 1","-P 2yc","13","","dichloro(1,5-bis(p-tolyl)-3,7-bis(pyridine-2-yl)-1,5-diaza-3,7-diphosphacyclooctane)gold(I) dimethylsulfoxyde solvate","","- C60 H72 Au4 Cl4 N8 O2 P4 S2 -","- C60 H72 Au4 Cl4 N8 O2 P4 S2 -","- C60 H72 Au4 Cl4 N8 O2 P4 S2 -","1","0.25","","Shamsutdinova, Nataliya; Strelnik, Igor D.; Musina, Elvira I.; Gerasimova, Tatiana; Katsyuba, Sergey; Babaev, Vasily; Krivolapov, Dmitry; Litvinov, Igor; Mustafina, Asiya; Karasik, Andrey A.; Sinyashin, Oleg Geroldovich","“Host-guest” binding of luminescent dinuclear Au(I) complex based on cyclic diphosphine with organic substrates as a reason for luminescence tuneability","New J. Chem.","2016","","","","","10.1039/C6NJ02277D","","","0.71073","MoKα","","0.0461","0.0353","","","0.0867","0.0918","","","","","","1.076","","","","has coordinates,has disorder","186925","2020-10-21","18:00:00",""
"7055806","20.27","0.012","18.845","0.011","20.136","0.012","90","","119.588","0.006","90","","6689","7","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","dichloro(1,5-bis(p-tolyl)-3,7-bis(pyridine-2-yl)-1,5-diaza-3,7- diphosphacyclooctane)gold(I) acetonitrile solvate","","- C30 H33 Au2 Cl2 N5 P2 -","- C30 H33 Au2 Cl2 N5 P2 -","- C240 H264 Au16 Cl16 N40 P16 -","8","1","","Shamsutdinova, Nataliya; Strelnik, Igor D.; Musina, Elvira I.; Gerasimova, Tatiana; Katsyuba, Sergey; Babaev, Vasily; Krivolapov, Dmitry; Litvinov, Igor; Mustafina, Asiya; Karasik, Andrey A.; Sinyashin, Oleg Geroldovich","“Host-guest” binding of luminescent dinuclear Au(I) complex based on cyclic diphosphine with organic substrates as a reason for luminescence tuneability","New J. Chem.","2016","","","","","10.1039/C6NJ02277D","","","0.71073","MoKα","","0.105","0.065","","","0.1623","0.2032","","","","","","1.039","","","","has coordinates","186925","2020-10-21","18:00:00",""
"7055807","20.506","0.003","12.2936","0.0017","16.937","0.002","90","","105.973","0.004","90","","4104.8","1","296","2","296","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","copper(I) thiocyanate complex of tris(2pyridyl)phosphine oxide","","- C17 H14 Cl2 Cu N4 O P S -","- C17 H14 Cl2 Cu N4 O P S -","- C136 H112 Cl16 Cu8 N32 O8 P8 S8 -","8","1","","Artem’ev, Alexander V.; Doronina, Evgeniya P.; Rakhmanova, Marianna I.; Sutyrina, Anastasiya O.; Bagryanskaya, Irina Yu.; Tolstoy, Peter M.; Gushchin, Artem L.; Mazur, Anton S.; Gusarova, Nina K.; Trofimov, Boris A.","Luminescent CuI thiocyanate complexes based on tris(2-pyridyl)phosphine and its oxide: from mono-, di- and trinuclear species to coordination polymers","New J. Chem.","2016","40","12","10028","","10.1039/C6NJ02087A","","","0.71073","MoKα","","0.064","0.0408","","","0.1003","0.1143","","","","","","1.023","","","","has coordinates","190238","2020-10-21","18:00:00",""
"7055808","8.3784","0.0008","9.0242","0.0008","13.1937","0.0011","71.147","0.003","78.454","0.003","65.128","0.003","854.08","0.13","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","copper(I) thiocyanate complex of tris(2pyridyl)phosphine oxide","","- C32 H24 Cu2 N8 O2 P2 S2 -","- C32 H24 Cu2 N8 O2 P2 S2 -","- C32 H24 Cu2 N8 O2 P2 S2 -","1","0.5","","Artem’ev, Alexander V.; Doronina, Evgeniya P.; Rakhmanova, Marianna I.; Sutyrina, Anastasiya O.; Bagryanskaya, Irina Yu.; Tolstoy, Peter M.; Gushchin, Artem L.; Mazur, Anton S.; Gusarova, Nina K.; Trofimov, Boris A.","Luminescent CuI thiocyanate complexes based on tris(2-pyridyl)phosphine and its oxide: from mono-, di- and trinuclear species to coordination polymers","New J. Chem.","2016","40","12","10028","","10.1039/C6NJ02087A","","","0.71073","MoKα","","0.1003","0.0921","","","0.3304","0.334","","","","","","1.21","","","","has coordinates","190238","2020-10-21","18:00:00",""
"7055809","25.1513","0.0011","8.2531","0.0004","33.3853","0.0015","90","","109.333","0.001","90","","6539.2","0.5","296","2","296","2","","","","","","","","7","P 1 2/c 1","-P 2yc","13","","copper(I) thiocyanate complex of tris(2pyridyl)phosphine oxide","","- C64 H48 Cu4 N16 O4 P4 S4 -","- C64 H48 Cu4 N16 O4 P4 S4 -","- C256 H192 Cu16 N64 O16 P16 S16 -","4","1","","Artem’ev, Alexander V.; Doronina, Evgeniya P.; Rakhmanova, Marianna I.; Sutyrina, Anastasiya O.; Bagryanskaya, Irina Yu.; Tolstoy, Peter M.; Gushchin, Artem L.; Mazur, Anton S.; Gusarova, Nina K.; Trofimov, Boris A.","Luminescent CuI thiocyanate complexes based on tris(2-pyridyl)phosphine and its oxide: from mono-, di- and trinuclear species to coordination polymers","New J. Chem.","2016","40","12","10028","","10.1039/C6NJ02087A","","","0.71073","MoKα","","0.0548","0.0375","","","0.0751","0.0806","","","","","","1.061","","","","has coordinates","190238","2020-10-21","18:00:00",""
"7055810","11.9247","0.0006","10.7519","0.0004","18.7122","0.0007","90","","97.86","0.002","90","","2376.61","0.17","296","2","296","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","Complex of copper(II) thiocyanate with tris(2-pyridyl)phosphine oxide","","- C18 H13 Cl3 Cu N5 O P S2 -","- C18 H13 Cl3 Cu N5 O P S2 -","- C72 H52 Cl12 Cu4 N20 O4 P4 S8 -","4","1","","Artem’ev, Alexander V.; Doronina, Evgeniya P.; Rakhmanova, Marianna I.; Sutyrina, Anastasiya O.; Bagryanskaya, Irina Yu.; Tolstoy, Peter M.; Gushchin, Artem L.; Mazur, Anton S.; Gusarova, Nina K.; Trofimov, Boris A.","Luminescent CuI thiocyanate complexes based on tris(2-pyridyl)phosphine and its oxide: from mono-, di- and trinuclear species to coordination polymers","New J. Chem.","2016","40","12","10028","","10.1039/C6NJ02087A","","","0.71073","MoKα","","0.0583","0.0505","","","0.1383","0.1474","","","","","","1.058","","","","has coordinates","190238","2020-10-21","18:00:00",""
"7055811","11.8672","0.0007","12.4871","0.0007","18.232","0.0011","84.626","0.002","89.461","0.002","62.746","0.002","2389.5","0.2","200","2","200","2","","","","","","","","8","P -1","-P 1","2","","Solvate complex of copper(I) thiocyanate with tris(2-pyridyl)phosphine oxide with chloroform","","- C34 H25 Cl3 Cu3 N9 O2 P2 S3 -","- C34 H25 Cl3 Cu3 N9 O2 P2 S3 -","- C68 H50 Cl6 Cu6 N18 O4 P4 S6 -","2","1","","Artem’ev, Alexander V.; Doronina, Evgeniya P.; Rakhmanova, Marianna I.; Sutyrina, Anastasiya O.; Bagryanskaya, Irina Yu.; Tolstoy, Peter M.; Gushchin, Artem L.; Mazur, Anton S.; Gusarova, Nina K.; Trofimov, Boris A.","Luminescent CuI thiocyanate complexes based on tris(2-pyridyl)phosphine and its oxide: from mono-, di- and trinuclear species to coordination polymers","New J. Chem.","2016","40","12","10028","","10.1039/C6NJ02087A","","","0.71073","MoKα","","0.0515","0.0389","","","0.0933","0.1053","","","","","","1.032","","","","has coordinates","190238","2020-10-21","18:00:00",""
"7055812","12.9246","0.0018","10.0302","0.0015","8.6402","0.0012","90","","106.913","0.003","90","","1071.6","0.3","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C12 H6 N8 O20 -","- C12 H6 N8 O20 -","- C24 H12 N16 O40 -","2","0.5","","Xu, Zhen; Yang, Hongwei; Cheng, Guangbin","Studies on the synthesis and properties of polynitro compounds based on esteryl backbones","New J. Chem.","2016","40","12","9936","","10.1039/C6NJ02198K","","","0.71073","MoKα","","0.0619","0.0426","","","0.0872","0.0955","","","","","","1.043","","","","has coordinates","190232","2020-10-21","18:00:00",""
"7055813","14.3744","0.0016","8.2651","0.001","19.305","0.002","90","","111.692","0.003","90","","2131.1","0.4","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C12 H6 N8 O20 -","- C12 H6 N8 O20 -","- C48 H24 N32 O80 -","4","1","","Xu, Zhen; Yang, Hongwei; Cheng, Guangbin","Studies on the synthesis and properties of polynitro compounds based on esteryl backbones","New J. Chem.","2016","40","12","9936","","10.1039/C6NJ02198K","","","0.71073","MoKα","","0.0799","0.038","","","0.0657","0.0759","","","","","","1.027","","","","has coordinates,has disorder","190232","2020-10-21","18:00:00",""
"7055814","13.8583","0.001","16.6279","0.0013","10.0771","0.0006","90","","103.879","0.002","90","","2254.3","0.3","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C12 H5 N9 O22 -","- C12 H5 N9 O22 -","- C48 H20 N36 O88 -","4","1","","Xu, Zhen; Yang, Hongwei; Cheng, Guangbin","Studies on the synthesis and properties of polynitro compounds based on esteryl backbones","New J. Chem.","2016","40","12","9936","","10.1039/C6NJ02198K","","","0.71073","MoKα","","0.0816","0.0398","","","0.0724","0.0847","","","","","","1.041","","","","has coordinates","190232","2020-10-21","18:00:00",""
"7055815","5.8335","0.0004","10.1818","0.0008","25.563","0.002","90","","96.54","0.003","90","","1508.4","0.2","172","2","172","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C9 H4 N6 O14 -","- C9 H4 N6 O14 -","- C36 H16 N24 O56 -","4","1","","Xu, Zhen; Yang, Hongwei; Cheng, Guangbin","Studies on the synthesis and properties of polynitro compounds based on esteryl backbones","New J. Chem.","2016","40","12","9936","","10.1039/C6NJ02198K","","","0.71073","MoKα","","0.068","0.0362","","","0.0752","0.0866","","","","","","1.026","","","","has coordinates","190232","2020-10-21","18:00:00",""
"7055816","13.0771","0.0007","14.1413","0.0007","22.4997","0.0009","94.2851","0.0011","103.247","0.001","102.563","0.0012","3919","0.3","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C33 H77 N11 O51 Pb2 Si W12 -","- C33 H77 N11 O51 Pb2 Si W12 -","- C66 H154 N22 O102 Pb4 Si2 W24 -","2","1","","Udalova, Liubov I.; Adonin, Sergey A.; Abramov, Pavel A.; Korolkov, Ilya V.; Yunoshev, Alexander S.; Plyusnin, Pavel E.; Sokolov, Maxim N.","Complexes of non-lacunary Keggin- and Dawson-type polyoxometalates with Pb(ii): formation of 1D coordination polymers with different bonding modes","New J. Chem.","2016","40","12","9981","","10.1039/C6NJ02155G","","x-ray","0.71073","MoKα","","0.0684","0.043","","","0.0777","0.0861","","","","","","0.994","","","","has coordinates","190240","2020-10-21","18:00:00",""
"7055817","27.4927","0.0006","17.8801","0.0006","25.0895","0.0006","90","","90","","90","","12333.3","0.6","130","2","130","2","","","","","","","","7","P n m a","-P 2ac 2n","62","","","","- C43.5 H104.1 N14.5 O77.8 P2 Pb3 W18 -","- C43.5 H72.5 N14.5 O77.8 P2 Pb3 W18 -","- C174 H290 N58 O311.2 P8 Pb12 W72 -","4","0.5","","Udalova, Liubov I.; Adonin, Sergey A.; Abramov, Pavel A.; Korolkov, Ilya V.; Yunoshev, Alexander S.; Plyusnin, Pavel E.; Sokolov, Maxim N.","Complexes of non-lacunary Keggin- and Dawson-type polyoxometalates with Pb(ii): formation of 1D coordination polymers with different bonding modes","New J. Chem.","2016","40","12","9981","","10.1039/C6NJ02155G","","x-ray","0.71073","MoKα","","0.068","0.0475","","","0.0999","0.1102","","","","","","1.102","","","","has coordinates,has disorder","190240","2020-10-21","18:00:00",""
"7055818","11.4597","0.0002","29.072","0.0005","16.6209","0.0003","90","","93.7884","0.0007","90","","5525.26","0.17","123","","123","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","2,3-bis(5-methyl-2-phenylthiazol-4-yl)-1-phenylphosphindole 1-oxide","","- C34 H25 N2 O P S2 -","- C34 H25 N2 O P S2 -","- C272 H200 N16 O8 P8 S16 -","8","2","","Iijima, Shunsuke; Nakashima, Takuya; Kawai, Tsuyoshi","Stereoselective photoreaction in P-stereogenic dithiazolylbenzo[b]phosphole chalcogenides","New J. Chem.","2016","40","12","10048","","10.1039/C6NJ02446G","","","0.71075","MoKα","","0.0528","0.0395","","","0.0942","0.0997","","","","","","1.047","","","","has coordinates","190241","2020-10-21","18:00:00",""
"7055819","10.0101","0.0002","11.0471","0.0002","14.5019","0.0003","86.1262","0.0007","83.4645","0.0007","81.545","0.0007","1573.81","0.05","123","","123","","","","","","","","","5","P -1","-P 1","2","","2,3-bis(5-methyl-2-phenylthiazol-4-yl)-1-phenylphosphindole 1-sulfide","","- C36 H28 N3 P S3 -","- C36 H28 N3 P S3 -","- C72 H56 N6 P2 S6 -","2","1","","Iijima, Shunsuke; Nakashima, Takuya; Kawai, Tsuyoshi","Stereoselective photoreaction in P-stereogenic dithiazolylbenzo[b]phosphole chalcogenides","New J. Chem.","2016","40","12","10048","","10.1039/C6NJ02446G","","","0.71075","MoKα","","0.0456","0.0374","","","0.0959","0.1026","","","","","","1.09","","","","has coordinates","190241","2020-10-21","18:00:00",""
"7055820","7.6364","0.0004","11.093","0.0006","12.7629","0.0006","95.949","0.003","91","0.003","99.504","0.003","1059.91","0.09","100","2","100","2","","","","","","","","6","P -1","-P 1","2","DDJS-43","","","- C20 H16 Cl2 Cu N4 O -","- C20 H16 Cl2 Cu N4 O -","- C40 H32 Cl4 Cu2 N8 O2 -","2","1","","Adhikari, Sangita; Lohar, Sisir; Kumari, Babli; Banerjee, Aparna; Bandopadhyay, Rajib; Matalobos, Jesús Sanmartín; Das, Debasis","Cu(ii) complex of a new isoindole derivative: structure, catecholase like activity, antimicrobial properties and bio-molecular interactions","New J. Chem.","2016","40","12","10094","","10.1039/C6NJ02193J","","x-ray","0.71073","MoKα","","0.0465","0.0393","","","0.0969","0.0997","","","","","","1.06","","","","has coordinates","211179","2020-10-21","18:00:00",""
"7055821","11.4372","0.0006","19.3","0.001","20.3261","0.0011","90","","90","","90","","4486.7","0.4","150","2","150","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C15 H16 Bi Br5 N4 O -","- C15 H16 Bi Br5 N4 O -","- C120 H128 Bi8 Br40 N32 O8 -","8","1","","Kotov, Vitalii Yu.; Ilyukhin, Andrey B.; Birin, Kirill P.; Laurinavichyute, Veronika K.; Sadovnikov, Alexey A.; Dobrokhotova, Zhanna V.; Kozyukhin, Sergey A.","A hybrid halobismuthate light-harvesting material with an optical band gap of 1.70 eV","New J. Chem.","2016","40","12","10041","","10.1039/C6NJ02333A","","","0.71073","MoKα","","0.0635","0.0371","","","0.0803","0.0895","","","","","","1.044","","","","has coordinates","190234","2020-10-21","18:00:00",""
"7055822","12.754","0.005","12.754","0.005","13.787","0.006","90","","90","","90","","2242.7","1.6","293","2","293","2","","","","","","","","3","P 4/n","-P 4a","85","","p-t-butylcalix[4]arene","","- C51 H64 O4 -","- C51 H64 O4 -","- C102 H128 O8 -","2","","","Senthan, Selvam Amudhan; Alexander, Vedamanickam","Synthesis, luminescence, and electrochemical studies of tetra- and octanuclear ruthenium(ii) complexes of tolylterpyridine appended calixarenes","New J. Chem.","2016","40","12","10064","","10.1039/C6NJ02564A","","","0.71073","MoKα","","0.0755","0.05","","","0.1381","0.1722","","","","","","1.103","","","","has coordinates,has disorder","190242","2020-10-21","18:00:00",""
"7055823","7.817","0.00019","13.0929","0.0004","30.6293","0.0009","90","","90","","90","","3134.82","0.15","100","2","100","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C28 H30 I2 N6 O6 Zn -","- C28 H30 I2 N6 O6 Zn -","- C112 H120 I8 N24 O24 Zn4 -","4","0.5","","Mahmoudi, Ghodrat; Afkhami, Farhad Akbari; Jena, Himanshu Sekhar; Nematollahi, Parisa; Esrafili, Mehdi D.; Garczarek, Piotr; Van Hecke, Kristof; Servati Gargari, Masoumeh; Kirillov, Alexander M.","Halide ion-driven self-assembly of Zn(ii) compounds derived from an asymmetrical hydrazone building block: a combined experimental and theoretical study","New J. Chem.","2016","40","12","10116","","10.1039/C6NJ01534D","","","1.5418","CuKα","","0.0533","0.0382","","","0.0909","0.1007","","","","","","1.024","","","","has coordinates","190229","2020-10-21","18:00:00",""
"7055824","7.67182","0.00017","12.9965","0.0003","30.545","0.0008","90","","90","","90","","3045.54","0.13","122","30","122","30","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C28 H30 Br2 N6 O6 Zn -","- C28 H30 Br2 N6 O6 Zn -","- C112 H120 Br8 N24 O24 Zn4 -","4","0.5","","Mahmoudi, Ghodrat; Afkhami, Farhad Akbari; Jena, Himanshu Sekhar; Nematollahi, Parisa; Esrafili, Mehdi D.; Garczarek, Piotr; Van Hecke, Kristof; Servati Gargari, Masoumeh; Kirillov, Alexander M.","Halide ion-driven self-assembly of Zn(ii) compounds derived from an asymmetrical hydrazone building block: a combined experimental and theoretical study","New J. Chem.","2016","40","12","10116","","10.1039/C6NJ01534D","","","1.5418","CuKα","","0.0423","0.0294","","","0.0667","0.0726","","","","","","1.026","","","","has coordinates","190229","2020-10-21","18:00:00",""
"7055825","22.0619","0.0006","22.0619","0.0006","7.3434","0.0004","90","","90","","90","","3574.2","0.2","293","2","293.15","","","","","","","","","6","I 4/m","-I 4","87","","","","- C56 H60 Cl8 N12 O12 Zn4 -","- C52 H44 Cl8 N12 O8 Zn4 -","- C104 H88 Cl16 N24 O16 Zn8 -","2","0.125","","Mahmoudi, Ghodrat; Afkhami, Farhad Akbari; Jena, Himanshu Sekhar; Nematollahi, Parisa; Esrafili, Mehdi D.; Garczarek, Piotr; Van Hecke, Kristof; Servati Gargari, Masoumeh; Kirillov, Alexander M.","Halide ion-driven self-assembly of Zn(ii) compounds derived from an asymmetrical hydrazone building block: a combined experimental and theoretical study","New J. Chem.","2016","40","12","10116","","10.1039/C6NJ01534D","","","1.5418","CuKα","","0.0397","0.0321","","","0.0848","0.0884","","","","","","1.074","","","","has coordinates","190229","2020-10-21","18:00:00",""
"7055826","21.5463","0.0013","8.3435","0.0005","25.3092","0.0015","90","","107.29","0.002","90","","4344.3","0.5","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C26 H18 N4 O3 V -","- C26 H18 N4 O3 V -","- C208 H144 N32 O24 V8 -","8","1","","Shit, Madhusudan; Maity, Suvendu; Bera, Sachinath; Weyhermüller, Thomas; Ghosh, Prasanta","Coordination of o-benzosemiquinonate, o-iminobenzosemiquinonate, 4,4′-di-tert-butyl-2,2′-bipyridine and 1,10-phenanthroline anion radicals to oxidovanadium(iv)","New J. Chem.","2016","40","12","10305","","10.1039/C6NJ02220K","","","0.71073","MoKα","","0.1071","0.0857","","","0.1745","0.1845","","","","","","1.242","","","","has coordinates","190237","2020-10-21","18:00:00",""
"7055827","13.8584","0.0005","16.1145","0.0006","22.9607","0.0009","90","","90","","90","","5127.6","0.3","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C25 H18 N5 O5 V -","- C25 H18 N5 O5 V -","- C200 H144 N40 O40 V8 -","8","2","","Shit, Madhusudan; Maity, Suvendu; Bera, Sachinath; Weyhermüller, Thomas; Ghosh, Prasanta","Coordination of o-benzosemiquinonate, o-iminobenzosemiquinonate, 4,4′-di-tert-butyl-2,2′-bipyridine and 1,10-phenanthroline anion radicals to oxidovanadium(iv)","New J. Chem.","2016","40","12","10305","","10.1039/C6NJ02220K","","","0.71073","MoKα","","0.0594","0.0403","","","0.0859","0.0954","","","","","","1.037","","","","has coordinates,has disorder","190237","2020-10-21","18:00:00",""
"7055828","11.1788","0.0005","18.332","0.0009","17.6872","0.0008","90","","107.635","0.002","90","","3454.3","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C32 H33 N2 O5 V -","- C32 H33 N2 O5 V -","- C128 H132 N8 O20 V4 -","4","1","","Shit, Madhusudan; Maity, Suvendu; Bera, Sachinath; Weyhermüller, Thomas; Ghosh, Prasanta","Coordination of o-benzosemiquinonate, o-iminobenzosemiquinonate, 4,4′-di-tert-butyl-2,2′-bipyridine and 1,10-phenanthroline anion radicals to oxidovanadium(iv)","New J. Chem.","2016","40","12","10305","","10.1039/C6NJ02220K","","","0.71073","MoKα","","0.0825","0.0637","","","0.1727","0.1984","","","","","","1.033","","","","has coordinates,has disorder","190237","2020-10-21","18:00:00",""
"7055829","11.9632","0.0004","12.8382","0.0004","18.2364","0.0006","90","","108.636","0.002","90","","2654","0.15","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C27 H28 Cl N3 O2 Ru -","- C27 H28 Cl N3 O2 Ru -","- C108 H112 Cl4 N12 O8 Ru4 -","4","1","","Mohamed Subarkhan, Mohamed Kasim; Ramesh, Rengan; Liu, Yu","Synthesis and molecular structure of arene ruthenium(ii) benzhydrazone complexes: impact of substitution at the chelating ligand and arene moiety on antiproliferative activity","New J. Chem.","2016","40","11","9813","","10.1039/C6NJ01936F","","","0.71073","MoKα","","0.1388","0.0577","","","0.1505","0.1839","","","","","","1.023","","","","has coordinates","188267","2020-10-21","18:00:00",""
"7055830","7.7924","0.0004","10.7114","0.0004","26.6417","0.0012","90","","91.178","0.002","90","","2223.25","0.17","296","2","296.15","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C23 H22 Cl N3 O3 Ru -","- C23 H22 Cl N3 O3 Ru -","- C92 H88 Cl4 N12 O12 Ru4 -","4","1","","Mohamed Subarkhan, Mohamed Kasim; Ramesh, Rengan; Liu, Yu","Synthesis and molecular structure of arene ruthenium(ii) benzhydrazone complexes: impact of substitution at the chelating ligand and arene moiety on antiproliferative activity","New J. Chem.","2016","40","11","9813","","10.1039/C6NJ01936F","","","0.71073","MoKα","","0.072","0.0495","","","0.1164","0.1285","","","","","","1.043","","","","has coordinates","188267","2020-10-21","18:00:00",""
"7055831","8.465","0.003","3.8075","0.001","13.823","0.004","90","","90","","90","","445.5","0.2","296","2","296","2","","","","","","","","3","P n m a","-P 2ac 2n","62","EuZrS3","","","- Eu S3 Zr -","- Eu S3 Zr -","- Eu4 S12 Zr4 -","4","0.5","","Guo, Sheng-Ping; Chi, Yang; Zou, Jian-Ping; Xue, Huai-Guo","Crystal and electronic structures, and photoluminescence and photocatalytic properties of α-EuZrS3","New J. Chem.","2016","40","12","10219","","10.1039/C6NJ02106A","","","0.71073","MoKα","","0.0184","0.0147","","","0.027","0.028","","","","","","1.022","","","","has coordinates","190250","2020-10-21","18:00:00",""
"7055832","12.478","0.002","14.351","0.002","21.722","0.003","90","","90","","90","","3889.8","1","100","2","100","2","","","","","","","synthesis as described","4","P 21 21 21","P 2ac 2ab","19","","Zr(L)(NMe2)2(NHMe2)","","- C42 H59 N5 Zr -","- C42 H59 N5 Zr -","- C168 H236 N20 Zr4 -","4","1","","Cimino, Alessandro; Moscatelli, Filippo; Ferretti, Francesco; Ragaini, Fabio; Germain, Stéphane; Hannedouche, Jérôme; Schulz, Emmanuelle; Luconi, Lapo; Rossin, Andrea; Giambastiani, Giuliano","Novel yttrium and zirconium catalysts featuring reduced Ar-BIANH2 ligands for olefin hydroamination (Ar-BIANH2 = bis-arylaminoacenaphthylene)","New J. Chem.","2016","40","12","10285","","10.1039/C6NJ02199A","","x-ray","1.5418","CuKα","","0.06","0.044","","","0.09","0.1191","","","","","","1.113","","","","has coordinates","190248","2020-10-21","18:00:00",""
"7055833","11.6748","0.0003","10.2522","0.0003","16.7835","0.0005","90","","103.528","0.001","90","","1953.12","0.1","133","2","133","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H16 Cl2 N6 -","- C22 H16 Cl2 N6 -","- C88 H64 Cl8 N24 -","4","1","","Gampe, D. M.; Schramm, S.; Kaufmann, M.; Görls, H.; Beckert, R.","N-Phenylfluorubine: one functional dye ‒ chromophor, fluorophor, electron-acceptor and more","New J. Chem.","2016","40","12","10100","","10.1039/C6NJ02544G","","","0.71073","MoKα","","0.0575","0.0448","","","0.0988","0.1055","","","","","","1.117","","","","has coordinates","190246","2020-10-21","18:00:00",""
"7055834","6.9338","0.0004","13.1529","0.0007","13.712","0.001","64.451","0.005","83.6","0.006","79.575","0.006","1108.84","0.13","298","2","298","2","","","","","","","","3","P -1","-P 1","2","AA132","","","- C30 H18 Br2 -","- C30 H18 Br2 -","- C60 H36 Br4 -","2","1","","Alameddine, Bassam; Anju, Rajamohanan Sobhana; Al-Sagheer, Fakhreia; Jenny, Titus A.","Tribenzopentaphene derivatives with lateral aromatic groups: the effect of the nature and position of substituents on emission properties","New J. Chem.","2016","40","12","10363","","10.1039/C6NJ02563C","","","0.71073","MoKα","","0.0475","0.0345","","","0.0933","0.1024","","","","","","0.946","","","","has coordinates","190230","2020-10-21","18:00:00",""
"7055837","14.5946","0.0003","12.2931","0.0002","14.917","0.0003","90","","90","","90","","2676.3","0.09","296","2","296","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","cis-hydroxodichlorodipyridinenitrosylruthenium","","- C10 H11 Cl2 N3 O2 Ru -","- C10 H11 Cl2 N3 O2 Ru -","- C80 H88 Cl16 N24 O16 Ru8 -","8","1","","Makhinya, Alexander N.; Il’in, Maxim A.; Yamaletdinov, Ruslan D.; Korolkov, Ilya V.; Baidina, Iraida A.","Synthesis and crystal structure of nitrosoruthenium complexes cis-[Ru(NO)Py2Cl2(OH)] and cis-[Ru(NO)Py2Cl2(H2O)]Cl. Photoinduced transformations of cis-[Ru(NO)Py2Cl2(OH)]","New J. Chem.","2016","40","12","10267","","10.1039/C6NJ02425D","","","0.71073","MoKα","","0.0345","0.0221","","","0.0508","0.0537","","","","","","1.067","","","","has coordinates","206958","2020-10-21","18:00:00",""
"7055838","12.4068","0.0003","14.0336","0.0003","16.9426","0.0004","90","","90","","90","","2949.91","0.12","150","2","150","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","chloride dichloroaquadipyridinenitrosylruthenium","","- C10 H12 Cl3 N3 O2 Ru -","- C10 H12 Cl3 N3 O2 Ru -","- C80 H96 Cl24 N24 O16 Ru8 -","8","1","","Makhinya, Alexander N.; Il’in, Maxim A.; Yamaletdinov, Ruslan D.; Korolkov, Ilya V.; Baidina, Iraida A.","Synthesis and crystal structure of nitrosoruthenium complexes cis-[Ru(NO)Py2Cl2(OH)] and cis-[Ru(NO)Py2Cl2(H2O)]Cl. Photoinduced transformations of cis-[Ru(NO)Py2Cl2(OH)]","New J. Chem.","2016","40","12","10267","","10.1039/C6NJ02425D","","","0.71073","MoKα","","0.0319","0.0234","","","0.0838","0.0941","","","","","","0.732","","","","has coordinates","190243","2020-10-21","18:00:00",""
"7055839","15.3824","0.0004","6.9222","0.0002","14.4655","0.0003","90","","117.818","0.001","90","","1362.28","0.06","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","cis-hydroxodichlorodipyridinenitrosylruthenium","","- C10 H11 Cl2 N3 O2 Ru -","- C10 H11 Cl2 N3 O2 Ru -","- C40 H44 Cl8 N12 O8 Ru4 -","4","1","","Makhinya, Alexander N.; Il’in, Maxim A.; Yamaletdinov, Ruslan D.; Korolkov, Ilya V.; Baidina, Iraida A.","Synthesis and crystal structure of nitrosoruthenium complexes cis-[Ru(NO)Py2Cl2(OH)] and cis-[Ru(NO)Py2Cl2(H2O)]Cl. Photoinduced transformations of cis-[Ru(NO)Py2Cl2(OH)]","New J. Chem.","2016","40","12","10267","","10.1039/C6NJ02425D","","","0.71073","MoKα","","0.0614","0.0313","","","0.0616","0.0673","","","","","","0.964","","","","has coordinates","190243","2020-10-21","18:00:00",""
"7055840","11.6485","0.0009","13.9161","0.001","11.8748","0.0008","90","","113.074","0.002","90","","1770.9","0.2","293","2","293","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C6 H30 Mo6 N3 Na2 O34.5 Te -","- C6 H15 Mo6 N3 Na2 O34.5 Te -","- C12 H30 Mo12 N6 Na4 O69 Te2 -","2","1","","Hou, Yujiao; An, Haiyan; Xu, Tieqi; Zhao, Sangen; Luo, Junhua","Chiral polyoxomolybdate-based hybrid compounds obtained by spontaneous resolution: syntheses, structures and non-linear optical properties","New J. Chem.","2016","40","12","10316","","10.1039/C6NJ02709A","","","0.71073","MoKα","","0.0203","0.0198","","","0.0526","0.0532","","","","","","1.026","","","","has coordinates","190245","2020-10-21","18:00:00",""
"7055841","11.6541","0.0002","13.9037","0.0003","11.8748","0.0003","90","","113.161","0.001","90","","1769.06","0.07","296","2","296","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C6 H30 Mo6 N3 Na2 O34.5 Te -","- C6 H15 Mo6 N3 Na2 O34.5 Te -","- C12 H30 Mo12 N6 Na4 O69 Te2 -","2","1","","Hou, Yujiao; An, Haiyan; Xu, Tieqi; Zhao, Sangen; Luo, Junhua","Chiral polyoxomolybdate-based hybrid compounds obtained by spontaneous resolution: syntheses, structures and non-linear optical properties","New J. Chem.","2016","40","12","10316","","10.1039/C6NJ02709A","","","0.71073","MoKα","","0.0246","0.024","","","0.0635","0.0642","","","","","","1.028","","","","has coordinates","190245","2020-10-21","18:00:00",""
"7055842","11.6276","0.0005","13.9826","0.0007","11.8503","0.0007","90","","113.215","0.002","90","","1770.67","0.16","296","2","296","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C6 H30 Mo6 N3 Na2 O34.5 Se -","- C6 H15 Mo6 N3 Na2 O34.5 Se -","- C12 H30 Mo12 N6 Na4 O69 Se2 -","2","1","","Hou, Yujiao; An, Haiyan; Xu, Tieqi; Zhao, Sangen; Luo, Junhua","Chiral polyoxomolybdate-based hybrid compounds obtained by spontaneous resolution: syntheses, structures and non-linear optical properties","New J. Chem.","2016","40","12","10316","","10.1039/C6NJ02709A","","","0.71073","MoKα","","0.0279","0.0275","","","0.0718","0.0722","","","","","","1.076","","","","has coordinates","190245","2020-10-21","18:00:00",""
"7055843","13.5784","0.0013","13.6097","0.001","19.0544","0.001","71.442","0.01","75.023","0.009","83.412","0.012","3222.7","0.5","223","2","223","2","","","","","","","","5","P -1","-P 1","2","","","","- C46 H104 Eu2 N12 Si4 -","- C46 H104 Eu2 N12 Si4 -","- C92 H208 Eu4 N24 Si8 -","2","1","","Liu, Qianqian; Wang, Chuanyong; Zhang, Xingmin; Xue, Mingqiang; Yao, Yingming; Zhang, Yong; Shen, Qi","Synthesis and molecular structures of divalent bridged bis(guanidinate) europium complexes and their application in intermolecular hydrophosphination of alkenes and alkynes","New J. Chem.","2016","40","12","10447","","10.1039/C6NJ02508K","","","0.71075","MoKα","","0.1289","0.0851","","","0.1607","0.1836","","","","","","1.133","","","","has coordinates,has disorder","190236","2020-10-21","18:00:00",""
"7055844","12.834","0.004","14.323","0.004","19.638","0.007","90","","107.298","0.006","90","","3446.6","1.9","223","2","223","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C64 H104 Eu2 N12 O4 -","- C64 H104 Eu2 N12 O4 -","- C128 H208 Eu4 N24 O8 -","2","0.5","","Liu, Qianqian; Wang, Chuanyong; Zhang, Xingmin; Xue, Mingqiang; Yao, Yingming; Zhang, Yong; Shen, Qi","Synthesis and molecular structures of divalent bridged bis(guanidinate) europium complexes and their application in intermolecular hydrophosphination of alkenes and alkynes","New J. Chem.","2016","40","12","10447","","10.1039/C6NJ02508K","","","0.71075","MoKα","","0.0648","0.0471","","","0.1115","0.1233","","","","","","1.083","","","","has coordinates,has disorder","190236","2020-10-21","18:00:00",""
"7055845","14.6965","0.0005","13.2218","0.0004","23.7134","0.0008","90","","92.135","0.003","90","","4604.7","0.3","223","2","223","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C35 H76 Cl Eu N6 O3 Si2 -","- C35 H76 Cl Eu N6 O3 Si2 -","- C140 H304 Cl4 Eu4 N24 O12 Si8 -","4","1","","Liu, Qianqian; Wang, Chuanyong; Zhang, Xingmin; Xue, Mingqiang; Yao, Yingming; Zhang, Yong; Shen, Qi","Synthesis and molecular structures of divalent bridged bis(guanidinate) europium complexes and their application in intermolecular hydrophosphination of alkenes and alkynes","New J. Chem.","2016","40","12","10447","","10.1039/C6NJ02508K","","","0.71073","MoKα","","0.0931","0.0722","","","0.1869","0.2072","","","","","","1.069","","","","has coordinates,has disorder","190236","2020-10-21","18:00:00",""
"7055846","15.7722","0.0007","17.7021","0.0007","17.77","0.0007","90","","97.681","0.002","90","","4916.9","0.4","296","2","296.15","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C53 H46 As2 N4 O Ru S -","- C53 H46 As2 N4 O Ru S -","- C212 H184 As8 N16 O4 Ru4 S4 -","4","1","","Raj Kumar, Ramasamy; Ramesh, Rengan; Małecki, Jan Grzegorz","Steric control on the coordination behaviour of carbazole thiosemicarbazones towards [RuH(Cl)(CO)(AsPh3)3]: a combined experimental and theoretical study","New J. Chem.","2016","40","12","10084","","10.1039/C6NJ02430K","","","0.71073","MoKα","","0.1288","0.0698","","","0.0969","0.1126","","","","","","1.038","","","","has coordinates","190239","2020-10-21","18:00:00",""
"7055847","12.3121","0.0007","13.7064","0.0007","17.7353","0.0009","86.508","0.004","71.243","0.005","67.212","0.005","2605.8","0.3","295","2","295","2","","","","","","","","7","P -1","-P 1","2","","","","- C61 H51 As2 N5 O Ru S -","- C61 H51 As2 N5 O Ru S -","- C122 H102 As4 N10 O2 Ru2 S2 -","2","1","","Raj Kumar, Ramasamy; Ramesh, Rengan; Małecki, Jan Grzegorz","Steric control on the coordination behaviour of carbazole thiosemicarbazones towards [RuH(Cl)(CO)(AsPh3)3]: a combined experimental and theoretical study","New J. Chem.","2016","40","12","10084","","10.1039/C6NJ02430K","","x-ray","0.71073","MoKα","","0.0927","0.0539","","","0.1328","0.1624","","","","","","1.018","","","","has coordinates","190239","2020-10-21","18:00:00",""
"7055848","14.2118","0.0005","14.2118","0.0005","63.501","0.004","90","","90","","90","","12825.6","1","296.15","","296.15","","","","","","","","","4","I -4 2 d","I -4 2bw","122","","","","- C45 H55 Eu3 O35 -","- C45 H31 Eu3 O23 -","- C360 H248 Eu24 O184 -","8","0.5","","Fan, Liming; Fan, Weiliu; Li, Bin; Zhao, Xian; Zhang, Xiutang","W-shaped 1,3-di(2,4-dicarboxyphenyl)benzene based lanthanide coordination polymers with tunable white light emission","New J. Chem.","2016","40","12","10440","","10.1039/C6NJ00294C","","","0.71073","MoKα","","0.0749","0.0618","","","0.1278","0.1327","","","","","","1.063","","","","has coordinates","190244","2020-10-21","18:00:00",""
"7055849","14.1842","0.0014","14.1842","0.0014","63.709","0.009","90","","90","","90","","12818","3","296.15","","296.15","","","","","","","","","4","I -4 2 d","I -4 2bw","122","","","","- C45 H55 O35 Tb3 -","- C45 H31 O23 Tb3 -","- C360 H248 O184 Tb24 -","8","0.5","","Fan, Liming; Fan, Weiliu; Li, Bin; Zhao, Xian; Zhang, Xiutang","W-shaped 1,3-di(2,4-dicarboxyphenyl)benzene based lanthanide coordination polymers with tunable white light emission","New J. Chem.","2016","40","12","10440","","10.1039/C6NJ00294C","","","0.71073","MoKα","","0.0955","0.0815","","","0.1772","0.1842","","","","","","1.1","","","","has coordinates,has disorder","190244","2020-10-21","18:00:00",""
"7055850","14.1545","0.0003","14.1545","0.0003","62.938","0.002","90","","90","","90","","12609.6","0.6","296.15","","296.15","","","","","","","","","4","I -4 2 d","I -4 2bw","122","","","","- C45 H55 Dy3 O35 -","- C45 H31 Dy3 O23 -","- C360 H248 Dy24 O184 -","8","0.5","","Fan, Liming; Fan, Weiliu; Li, Bin; Zhao, Xian; Zhang, Xiutang","W-shaped 1,3-di(2,4-dicarboxyphenyl)benzene based lanthanide coordination polymers with tunable white light emission","New J. Chem.","2016","40","12","10440","","10.1039/C6NJ00294C","","","0.71073","MoKα","","0.0376","0.0281","","","0.059","0.0613","","","","","","1.041","","","","has coordinates","190244","2020-10-21","18:00:00",""
"7055851","14.309","0.0004","14.309","0.0004","63.9","0.004","90","","90","","90","","13083.4","1","296.15","","296.15","","","","","","","","","4","I -4 2 d","I -4 2bw","122","","","","- C45 H55 O35 Sm3 -","- C45 H31 O23 Sm3 -","- C360 H248 O184 Sm24 -","8","0.5","","Fan, Liming; Fan, Weiliu; Li, Bin; Zhao, Xian; Zhang, Xiutang","W-shaped 1,3-di(2,4-dicarboxyphenyl)benzene based lanthanide coordination polymers with tunable white light emission","New J. Chem.","2016","40","12","10440","","10.1039/C6NJ00294C","","","0.71073","MoKα","","0.0483","0.0372","","","0.0819","0.087","","","","","","1.064","","","","has coordinates","190244","2020-10-21","18:00:00",""
"7055852","19.4562","0.0031","15.796","0.0025","10.1007","0.0016","90","","103.17","0.002","90","","3022.6","0.8","110","2","110","2","","","","","","","synthesis as described","6","P 1 21/c 1","-P 2ybc","14","","","","- C68 H54.24 Cu2 N4 O11.12 S4 -","- C68 H54.236 Cu2 N4 O11.118 S4 -","- C136 H108.472 Cu4 N8 O22.236 S8 -","2","0.5","","Adhikari, Sangita; Sahana, Animesh; Kumari, Babli; Ganguly, Durba; Das, Saurabh; Banerjee, Prajna Paramita; Banerjee, Gautam; Chattopadhyay, Ansuman; Fondo, Matilde; Matalobos, Jesús Sanmartín; Brandão, Paula; Félix, Vítor; Das, Debasis","Molecular diversity in several pyridyl based Cu(ii) complexes: biophysical interaction and redox triggered fluorescence switch","New J. Chem.","2016","40","12","10378","","10.1039/C6NJ02381A","","x-ray","0.7107","MoKα","","0.0694","0.0433","","","0.0991","0.1123","","","","","","1.045","","","","has coordinates,has disorder","190249","2020-10-21","18:00:00",""
"7055853","7.39817","0.00015","13.0179","0.0002","14.3767","0.0003","90","","90","","90","","1384.6","0.05","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C7 H7 N O3 -","- C7 H7 N O3 -","- C56 H56 N8 O24 -","8","1","","Adhikari, Sangita; Sahana, Animesh; Kumari, Babli; Ganguly, Durba; Das, Saurabh; Banerjee, Prajna Paramita; Banerjee, Gautam; Chattopadhyay, Ansuman; Fondo, Matilde; Matalobos, Jesús Sanmartín; Brandão, Paula; Félix, Vítor; Das, Debasis","Molecular diversity in several pyridyl based Cu(ii) complexes: biophysical interaction and redox triggered fluorescence switch","New J. Chem.","2016","40","12","10378","","10.1039/C6NJ02381A","","","0.71073","MoKα","","0.0394","0.0378","","","0.1093","0.1108","","","","","","1.064","","","","has coordinates","190249","2020-10-21","18:00:00",""
"7055854","8.7731","0.0005","13.7449","0.0007","16.6071","0.0009","90","","93.648","0.002","90","","1998.52","0.19","100","2","100","2","","","","","","","Synthetic","6","P 1 21 1","P 2yb","4","","","","- C14 H20 Cu N2 O13 S -","- C14 H19 Cu N2 O13 S -","- C56 H76 Cu4 N8 O52 S4 -","4","2","","Adhikari, Sangita; Sahana, Animesh; Kumari, Babli; Ganguly, Durba; Das, Saurabh; Banerjee, Prajna Paramita; Banerjee, Gautam; Chattopadhyay, Ansuman; Fondo, Matilde; Matalobos, Jesús Sanmartín; Brandão, Paula; Félix, Vítor; Das, Debasis","Molecular diversity in several pyridyl based Cu(ii) complexes: biophysical interaction and redox triggered fluorescence switch","New J. Chem.","2016","40","12","10378","","10.1039/C6NJ02381A","","x-ray","0.71073","MoKα","","0.0283","0.0255","","","0.0654","0.0664","","","","","","1.065","","","","has coordinates","190249","2020-10-21","18:00:00",""
"7055855","13.067","0.0009","17.8555","0.0012","36.247","0.003","90","","90","","90","","8457.1","1.1","100","2","100","2","","","","","","","","6","F d d d","-F 2uv 2vw","70","","","","- C14 H20 Cl Cu2 N3 O13 -","- C14 H20 Cl Cu2 N3 O13 -","- C224 H320 Cl16 Cu32 N48 O208 -","16","","","Adhikari, Sangita; Sahana, Animesh; Kumari, Babli; Ganguly, Durba; Das, Saurabh; Banerjee, Prajna Paramita; Banerjee, Gautam; Chattopadhyay, Ansuman; Fondo, Matilde; Matalobos, Jesús Sanmartín; Brandão, Paula; Félix, Vítor; Das, Debasis","Molecular diversity in several pyridyl based Cu(ii) complexes: biophysical interaction and redox triggered fluorescence switch","New J. Chem.","2016","40","12","10378","","10.1039/C6NJ02381A","","","0.71073","MoKα","","0.0668","0.0433","","","0.1041","0.1202","","","","","","1.026","","","","has coordinates,has disorder","190249","2020-10-21","18:00:00",""
"7055856","8.4875","0.0009","14.7989","0.0015","8.7734","0.0009","90","","101.334","0.002","90","","1080.5","0.19","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C16 H22 Cu N8 O6 -","- C16 H22 Cu N8 O6 -","- C32 H44 Cu2 N16 O12 -","2","0.5","","Cheng, Meiling; Sun, Lin; Han, Wei; Wang, Shen; Liu, Qi; Sun, Xiaoqiang; Xi, Haitao","Effect of N ancillary ligands on the structure, nuclearity and magnetic behavior of Cu(ii)‒pyrazolecarboxylate complexes","New J. Chem.","2016","40","12","10504","","10.1039/C6NJ02338J","","","0.71073","MoKα","","0.0396","0.0314","","","0.0946","0.0998","","","","","","1.055","","","","has coordinates","190235","2020-10-21","18:00:00",""
"7055857","12.4984","0.0011","7.2846","0.0011","17.4974","0.0019","90","","102.95","0.003","90","","1552.5","0.3","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C10 H16 Cu2 N4 O8 -","- C10 H16 Cu2 N4 O8 -","- C40 H64 Cu8 N16 O32 -","4","0.5","","Cheng, Meiling; Sun, Lin; Han, Wei; Wang, Shen; Liu, Qi; Sun, Xiaoqiang; Xi, Haitao","Effect of N ancillary ligands on the structure, nuclearity and magnetic behavior of Cu(ii)‒pyrazolecarboxylate complexes","New J. Chem.","2016","40","12","10504","","10.1039/C6NJ02338J","","","0.71073","MoKα","","0.0379","0.0333","","","0.0801","0.0876","","","","","","1.191","","","","has coordinates","190235","2020-10-21","18:00:00",""
"7055858","7.0667","0.0015","9.232","0.002","11.548","0.003","95.15","0.004","95.809","0.004","105.873","0.004","715.5","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H20 Cu2 N6 O11 -","- C20 H20 Cu2 N6 O11 -","- C20 H20 Cu2 N6 O11 -","1","0.5","","Cheng, Meiling; Sun, Lin; Han, Wei; Wang, Shen; Liu, Qi; Sun, Xiaoqiang; Xi, Haitao","Effect of N ancillary ligands on the structure, nuclearity and magnetic behavior of Cu(ii)‒pyrazolecarboxylate complexes","New J. Chem.","2016","40","12","10504","","10.1039/C6NJ02338J","","","0.71073","MoKα","","0.0696","0.0569","","","0.1681","0.1815","","","","","","1.098","","","","has coordinates,has disorder","190235","2020-10-21","18:00:00",""
"7055859","12.4393","0.0009","20.3403","0.0015","22.337","0.0015","90","","102.641","0.002","90","","5514.7","0.7","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C106 H114 Cu6 N24 O29 -","- C106 H114 Cu6 N24 O29 -","- C212 H228 Cu12 N48 O58 -","2","0.5","","Cheng, Meiling; Sun, Lin; Han, Wei; Wang, Shen; Liu, Qi; Sun, Xiaoqiang; Xi, Haitao","Effect of N ancillary ligands on the structure, nuclearity and magnetic behavior of Cu(ii)‒pyrazolecarboxylate complexes","New J. Chem.","2016","40","12","10504","","10.1039/C6NJ02338J","","","0.71073","MoKα","","0.0785","0.0448","","","0.1073","0.1242","","","","","","1.034","","","","has coordinates,has disorder","190235","2020-10-21","18:00:00",""
"7055863","7.9693","0.0005","8.4129","0.0005","9.1302","0.0005","68.058","0.005","85.402","0.005","71.258","0.006","537.13","0.06","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","[1-methyl-3-carboxymethyl benzimidazolium betaine]2 CuBr2","","- C20 H20 Br2 Cu N4 O4 -","- C20 H20 Br2 Cu N4 O4 -","- C20 H20 Br2 Cu N4 O4 -","1","0.5","","Czekański, Łukasz; Hoffmann, Stanisław K.; Barczyński, Piotr; Gąsowska, Anna; Bregier-Jarzębowska, Romualda; Zalewska, Alina; Goslar, Janina; Ratajczak-Sitarz, Małgorzata; Katrusiak, Andrzej","Crystal structure and physical properties of 1-methyl-3-(carboxymethyl)benzimidazolium betaine·CuBr2 in crystal and water solution","New J. Chem.","2016","40","12","10526","","10.1039/C6NJ03192G","","","0.71073","MoKα","","0.0398","0.029","","","0.0681","0.0722","","","","","","1.008","","","","has coordinates","190233","2020-10-21","18:00:00",""
"7118071","13.678","0.005","10.566","0.005","12.076","0.005","90","","90","","90","","1745.2","1.3","100","2","100","1","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C8 H6 Ag N3 O3 -","- C8 H6 Ag N3 O3 -","- C64 H48 Ag8 N24 O24 -","8","2","","Savić, Nada D.; Glišić, Biljana Đ.; Wadepohl, Hubert; Pavic, Aleksandar; Senerovic, Lidija; Nikodinovic-Runic, Jasmina; Djuran, Miloš I.","Silver(i) complexes with quinazoline and phthalazine: synthesis, structural characterization and evaluation of biological activities","Med. Chem. Commun.","2016","7","2","282","","10.1039/C5MD00494B","","x-ray","0.71073","MoKα","","0.0269","0.0219","","","0.0453","0.0474","","","","","","1.056","","","","has coordinates","177881","2020-10-21","18:00:00",""
"7118072","7.544","0.003","8.109","0.004","11.175","0.005","110.495","0.012","99.22","0.009","98.036","0.011","617.7","0.5","100","2","100","1","","","","","","","","6","P -1","-P 1","2","","","","- C20 H18 Ag2 B2 F8 N6 -","- C20 H18 Ag2 B2 F8 N6 -","- C20 H18 Ag2 B2 F8 N6 -","1","0.5","","Savić, Nada D.; Glišić, Biljana Đ.; Wadepohl, Hubert; Pavic, Aleksandar; Senerovic, Lidija; Nikodinovic-Runic, Jasmina; Djuran, Miloš I.","Silver(i) complexes with quinazoline and phthalazine: synthesis, structural characterization and evaluation of biological activities","Med. Chem. Commun.","2016","7","2","282","","10.1039/C5MD00494B","","x-ray","0.71073","MoKα","","0.0222","0.0196","","","0.046","0.0471","","","","","","1.071","","","","has coordinates","177881","2020-10-21","18:00:00",""
"7118161","10.1045","0.0005","15.4994","0.0007","10.4754","0.0005","90","","102.207","0.0005","90","","1603.5","0.13","291","2","291","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C9 H15 Dy N2 O14 -","- C9 H15 Dy N2 O14 -","- C36 H60 Dy4 N8 O56 -","4","1","","Liang Qin; Li-Xian Lin; Zhi-Ping Fang; Shui-Ping Yang; Gui-Hua Qiu; Jin-Xiang Chen; Wen-Hua Chen","A water-stable metal-organic framework of a zwitterionic carboxylate with dysprosium: a sensing platform for Ebolavirus RNA sequences","Chem.Commun.","2016","52","","132","","10.1039/C5cc06697B","","","0.71073","MoKα","","0.0204","0.0196","","","0.0512","0.0515","","","","","","1.021","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7118162","5.1412","0.0004","26.4969","0.0019","9.2776","0.0007","90","","105.207","0.002","90","","1219.59","0.16","120","2","120.15","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C12 H16 N2 O4 -","- C12 H16 N2 O4 -","- C48 H64 N8 O16 -","4","2","","Abigail E. Hooper; Stuart R. Kennedy; Christopher D. Jones; Jonathan W. Steed","Gelation by supramolecular dimerization of mono(urea)s","Chem.Commun.","2016","52","","198","","10.1039/c5cc06995E","","","0.71073","MoKα","","0.0635","0.0431","","","0.096","0.1046","","","","","","1.027","","","","has coordinates","192220","2020-10-21","18:00:00",""
"7118163","4.6214","0.0008","8.2787","0.0014","14.248","0.002","92.962","0.005","94.351","0.005","95.33","0.005","540.25","0.15","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","","","- C11 H14 N2 O4 -","- C11 H14 N2 O4 -","- C22 H28 N4 O8 -","2","1","","Abigail E. Hooper; Stuart R. Kennedy; Christopher D. Jones; Jonathan W. Steed","Gelation by supramolecular dimerization of mono(urea)s","Chem.Commun.","2016","52","","198","","10.1039/c5cc06995E","","","0.71073","MoKα","","0.0838","0.0472","","","0.0942","0.1054","","","","","","1.023","","","","has coordinates","171603","2020-10-21","18:00:00",""
"7118164","4.529","0.0011","9.009","0.003","15.234","0.004","101.869","0.009","93.598","0.009","101.742","0.009","592","0.3","120","2","120.15","","","","","","","","","4","P -1","-P 1","2","","","","- C12 H16 N2 O4 -","- C12 H16 N2 O4 -","- C24 H32 N4 O8 -","2","1","","Abigail E. Hooper; Stuart R. Kennedy; Christopher D. Jones; Jonathan W. Steed","Gelation by supramolecular dimerization of mono(urea)s","Chem.Commun.","2016","52","","198","","10.1039/c5cc06995E","","","0.71073","MoKα","","0.1119","0.0689","","","0.1547","0.1723","","","","","","1.053","","","","has coordinates","171603","2020-10-21","18:00:00",""
"7118165","19.9441","0.0006","15.7417","0.0006","14.9924","0.0004","90","","90","","90","","4706.9","0.3","100","2","100","2","","","","","","","","6","P n a 21","P 2c -2n","33","","PCBM-Sc3N@D5h-C80 CS2 solvate","","- C93 H14 N O2 S2 Sc3 -","- C93 H14 N O2 S2 Sc3 -","- C372 H56 N4 O8 S8 Sc12 -","4","1","","Maira R. Ceron; Marta Izquierdo; Nuria Alegret; Juan A. Valdez; Antonio Rodriguez-Fortea; Marilyn M. Olmstead; Alan L. Balch; Josep M. Poblet; Luis Echegoyen","Reactivity differences of Sc3N at C2n (2n = 68 and 80). Synthesis of the first methanofullerene derivatives of Sc3N at D5h-C80","Chem.Commun.","2016","52","","64","","10.1039/C5cc07416A","","","0.7749","synchrotron","","0.1723","0.1649","","","0.3903","0.4","","","","","","1.92","","","","has coordinates","171604","2020-10-21","18:00:00",""
"7118166","16.807","0.007","12.849","0.006","17.795","0.008","90","","114.07","0.006","90","","3509","3","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C30 H49 B Fe N4 O2 Si2 -","- C30 H49 B Fe N4 O2 Si2 -","- C120 H196 B4 Fe4 N16 O8 Si8 -","4","1","","Holger Braunschweig; Rian D. Dewhurst; Katharina Ferkinghoff","Carbene-induced synthesis of the first borironium cations using the [(eta^5^-C5Me5)Fe(CO)2]^-^ anion as an unlikely leaving group","Chem.Commun.","2016","52","","183","","10.1039/C5cc07503C","","","0.71073","MoKα","","0.0476","0.0345","","","0.0796","0.0856","","","","","","1.025","","","","has coordinates","171605","2020-10-21","18:00:00",""
"7118167","10.5605","0.0006","17.2867","0.001","20.8645","0.0012","90","","99.455","0.002","90","","3757.2","0.4","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C34 H57 B Fe N4 O2 Si2 -","- C34 H57 B Fe N4 O2 Si2 -","- C136 H228 B4 Fe4 N16 O8 Si8 -","4","1","","Holger Braunschweig; Rian D. Dewhurst; Katharina Ferkinghoff","Carbene-induced synthesis of the first borironium cations using the [(eta^5^-C5Me5)Fe(CO)2]^-^ anion as an unlikely leaving group","Chem.Commun.","2016","52","","183","","10.1039/C5cc07503C","","","0.71073","MoKα","","0.0322","0.0282","","","0.0747","0.0774","","","","","","1.033","","","","has coordinates","171605","2020-10-21","18:00:00",""
"7118168","13.4055","0.0007","15.0828","0.0008","29.1775","0.0016","90","","90","","90","","5899.5","0.5","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C71 H58 Cl4 N2 S2 -","- C71 H58 Cl4 N2 S2 -","- C284 H232 Cl16 N8 S8 -","4","1","","Ping Chen; Sheng-mei Lu; Wengang Guo; Yan Liu; Can Li","A highly enantioselective thiolation of sulfonyl indoles to access 3-sec-sulfur-substituted indoles in water","Chem.Commun.","2016","52","","96","","10.1039/C5cc07721D","","","0.71073","MoKα","","0.0719","0.0564","","","0.1365","0.1465","","","","","","1.031","","","","has coordinates,has disorder","171606","2020-10-21","18:00:00",""
"7118169","21.41","0.006","9.115","0.003","8.678","0.003","90","","90.827","0.004","90","","1693.4","0.9","293","","293","","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C17 H19 Cl O5 -","- C17 H19 Cl O5 -","- C68 H76 Cl4 O20 -","4","1","","Qiang Sha; Hadi Arman; Michael P. Doyle","Asymmetric synthesis of 1H-pyrrol-3(2H)-ones from 2,3-diketoesters by combination of aldol condensation with benzilic acid rearrangement","Chem.Commun.","2016","52","","108","","10.1039/C5cc07780J","","","0.71075","MoKα","","0.0346","0.034","","","0.0917","0.0924","","","","","","1.051","","","","has coordinates","171607","2020-10-21","18:00:00",""
"7118170","9.258","0.002","9.554","0.002","22.789","0.005","90","","90","","90","","2015.7","0.8","293","","293","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C23 H22 Cl N O3 -","- C23 H22 Cl N O3 -","- C92 H88 Cl4 N4 O12 -","4","1","","Qiang Sha; Hadi Arman; Michael P. Doyle","Asymmetric synthesis of 1H-pyrrol-3(2H)-ones from 2,3-diketoesters by combination of aldol condensation with benzilic acid rearrangement","Chem.Commun.","2016","52","","108","","10.1039/C5cc07780J","","","0.71075","MoKα","","0.0444","0.0421","","","0.1117","0.1149","","","","","","1.062","","","","has coordinates","171607","2020-10-21","18:00:00",""
"7118171","15.7923","0.0002","16.6247","0.0003","21.4456","0.0003","70.8548","0.0014","70.4554","0.0013","71.4233","0.0013","4872.6","0.14","110","2","110","2","","","","","","","","5","P -1","-P 1","2","","","","- C96 H104 N7 O Re -","- C96 H104 N7 O Re -","- C192 H208 N14 O2 Re2 -","2","1","","Jan Paulo T. Zaragoza; Maxime A. Siegler; David P. Goldberg","Rhenium(V)-oxo corrolazines: isolating redox-active ligand reactivity","Chem.Commun.","2016","52","","167","","10.1039/C5cc07956J","","","1.54178","CuKα","","0.0578","0.0539","","","0.15","0.1546","","","","","","1.099","","","","has coordinates,has disorder","171608","2020-10-21","18:00:00",""
"7118172","5.79","0.003","10.095","0.005","29.897","0.014","90","","90","","90","","1747.5","1.5","100","2","100","1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C18 H26 N3 Ni O2 -","- C18 H26 N3 Ni O2 -","- C72 H104 N12 Ni4 O8 -","4","1","","Jan Wenz; Christoph A. Rettenmeier; Hubert Wadepohl; Lutz H. Gade","Catalytic C-F bond activation of geminal difluorocyclopropanes by nickel(I) complexes via a radical mechanism","Chem.Commun.","2016","52","","202","","10.1039/c5cc08950F","","x-ray","0.71073","MoKα","","0.039","0.0313","","","0.0657","0.0682","","","","","","1.035","","","","has coordinates","171609","2020-10-21","18:00:00",""
"7118173","10.148","0.005","11.913","0.005","17.409","0.008","90","","90","","90","","2104.6","1.7","100","2","100","1","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C24 H23 F2 N3 Ni O2 -","- C24 H23 F2 N3 Ni O2 -","- C96 H92 F8 N12 Ni4 O8 -","4","1","","Jan Wenz; Christoph A. Rettenmeier; Hubert Wadepohl; Lutz H. Gade","Catalytic C-F bond activation of geminal difluorocyclopropanes by nickel(I) complexes via a radical mechanism","Chem.Commun.","2016","52","","202","","10.1039/c5cc08950F","","x-ray","0.71073","MoKα","","0.0366","0.0305","","","0.0681","0.071","","","","","","1.054","","","","has coordinates","171609","2020-10-21","18:00:00",""
"7118174","10.777","0.008","10.97","0.008","36.58","0.03","90","","90","","90","","4325","6","100","2","100","1","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C21.5 H31 F N3 Ni O2.5 -","- C21.5 H31 F N3 Ni O2.5 -","- C172 H248 F8 N24 Ni8 O20 -","8","2","","Jan Wenz; Christoph A. Rettenmeier; Hubert Wadepohl; Lutz H. Gade","Catalytic C-F bond activation of geminal difluorocyclopropanes by nickel(I) complexes via a radical mechanism","Chem.Commun.","2016","52","","202","","10.1039/c5cc08950F","","x-ray","0.71073","MoKα","","0.0356","0.0297","","","0.064","0.0666","","","","","","1.053","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7118175","24.87","0.015","5.944","0.004","16.266","0.01","90","","107.995","0.007","90","","2287","3","100","2","100","1","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C15 H12 F2 -","- C15 H12 F2 -","- C120 H96 F16 -","8","1","","Jan Wenz; Christoph A. Rettenmeier; Hubert Wadepohl; Lutz H. Gade","Catalytic C-F bond activation of geminal difluorocyclopropanes by nickel(I) complexes via a radical mechanism","Chem.Commun.","2016","52","","202","","10.1039/c5cc08950F","","x-ray","0.71073","MoKα","","0.0639","0.0466","","","0.1099","0.1185","","","","","","1.067","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7118176","7.74284","0.00013","17.2689","0.0002","8.39473","0.00013","90","","91.1751","0.0015","90","","1122.23","0.03","120","1","120","1","","","","","","","","3","C 1 c 1","C -2yc","9","","","","- C15 H13 F -","- C15 H13 F -","- C60 H52 F4 -","4","1","","Jan Wenz; Christoph A. Rettenmeier; Hubert Wadepohl; Lutz H. Gade","Catalytic C-F bond activation of geminal difluorocyclopropanes by nickel(I) complexes via a radical mechanism","Chem.Commun.","2016","52","","202","","10.1039/c5cc08950F","","x-ray","1.54184","CuKα","","0.0258","0.0255","","","0.0654","0.0656","","","","","","1.08","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7118177","14.0216","0.0005","21.3117","0.0008","6.4976","0.0002","90","","90","","90","","1941.64","0.12","173","2","173","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C20 H26 N2 O6 S -","- C20 H26 N2 O6 S -","- C80 H104 N8 O24 S4 -","4","1","","Pedras, M. S. C.; To, Q. H.; Schatte, G.","Divergent reactivity of an indole glucosinolate yields Lossen or Neber rearrangement products: the phytoalexin rapalexin A or a unique β-d-glucopyranose fused heterocycle.","Chemical communications (Cambridge, England)","2016","52","12","2505","2508","10.1039/c5cc09822j","","","0.68879","synchrotron","","0.0415","0.0409","","","0.1103","0.1121","","","","","","1.077","","","","has coordinates","175866","2020-10-21","18:00:00",""
"7118180","9.468","0.005","12.672","0.005","14.441","0.005","73.289","0.005","72.517","0.005","76.408","0.005","1561.7","1.2","372","2","372","2","","","","","","","","6","P -1","-P 1","2","","5'-(tert-butyl) 3'-methyl 5,8'-dichloro-1-tosylspiro[indoline-3,4'-pyrrolo[3',4':3,4]cyclopenta[1,2-b]indole]-3',5'(2'H)-dicarboxylate","","- C34 H29 Cl2 N3 O6 S -","- C34 H29 Cl2 N3 O6 S -","- C68 H58 Cl4 N6 O12 S2 -","2","1","","Blair, Lachlan M.; Sperry, Jonathan","Total syntheses of (±)-spiroindimicins B and C enabled by a late-stage Schöllkopf‒Magnus‒Barton‒Zard (SMBZ) reaction","Chemical Communications (Cambridge, United Kingdom)","2016","52","4","800","802","10.1039/c5cc09060a","","","0.71073","MoKα","","0.0893","0.0506","","","0.1183","0.1329","","","","","","1.017","","","","has coordinates","209788","2020-10-21","18:00:00",""
"7118181","8.496","0.008","9.275","0.008","25.99","0.02","90","","97.228","0.014","90","","2032","3","380","2","380","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C13 H16 Fe N10 S2 -","- C13 H16 Fe N10 S2 -","- C52 H64 Fe4 N40 S8 -","4","1","","Hagiwara, Hiroaki; Okada, Shohei","A polymorphism-dependent T1/2 shift of 100 K in a hysteretic spin-crossover complex related to differences in intermolecular weak CH⋯X hydrogen bonds (X = S vs. S and N)","Chemical Communications (Cambridge, United Kingdom)","2016","52","4","815","818","10.1039/c5cc08215c","","","0.7107","MoKα","","0.1237","0.0733","","","0.2093","0.2474","","","","","","1.072","","","","has coordinates,has disorder","209782","2020-10-21","18:00:00",""
"7118182","8.1325","0.0005","8.9739","0.0006","26.23","0.002","90","","93.858","0.002","90","","1909.9","0.2","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C13 H16 Fe N10 S2 -","- C13 H16 Fe N10 S2 -","- C52 H64 Fe4 N40 S8 -","4","1","","Hagiwara, Hiroaki; Okada, Shohei","A polymorphism-dependent T1/2 shift of 100 K in a hysteretic spin-crossover complex related to differences in intermolecular weak CH⋯X hydrogen bonds (X = S vs. S and N)","Chemical Communications (Cambridge, United Kingdom)","2016","52","4","815","818","10.1039/c5cc08215c","","","0.7107","MoKα","","0.0562","0.0499","","","0.1247","0.1314","","","","","","1.033","","","","has coordinates","209782","2020-10-21","18:00:00",""
"7118183","16.324","0.008","8.928","0.004","13.831","0.007","90","","105.685","0.006","90","","1940.7","1.6","280","2","280","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C13 H16 Fe N10 S2 -","- C13 H16 Fe N10 S2 -","- C52 H64 Fe4 N40 S8 -","4","0.5","","Hagiwara, Hiroaki; Okada, Shohei","A polymorphism-dependent T1/2 shift of 100 K in a hysteretic spin-crossover complex related to differences in intermolecular weak CH⋯X hydrogen bonds (X = S vs. S and N)","Chemical Communications (Cambridge, United Kingdom)","2016","52","4","815","818","10.1039/c5cc08215c","","","0.7107","MoKα","","0.0707","0.0567","","","0.164","0.1842","","","","","","0.982","","","","has coordinates","209782","2020-10-21","18:00:00",""
"7118184","15.27","0.03","9.786","0.018","13.27","0.03","90","","110.53","0.02","90","","1857","7","250","2","250","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C13 H16 Fe N10 S2 -","- C13 H16 Fe N10 S2 -","- C52 H64 Fe4 N40 S8 -","4","0.5","","Hagiwara, Hiroaki; Okada, Shohei","A polymorphism-dependent T1/2 shift of 100 K in a hysteretic spin-crossover complex related to differences in intermolecular weak CH⋯X hydrogen bonds (X = S vs. S and N)","Chemical Communications (Cambridge, United Kingdom)","2016","52","4","815","818","10.1039/c5cc08215c","","","0.7107","MoKα","","0.0949","0.0814","","","0.2082","0.226","","","","","","1.092","","","","has coordinates","209782","2020-10-21","18:00:00",""
"7118185","9.002","0.002","13.225","0.003","17.293","0.004","90","","90","","90","","2058.8","0.8","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C29 H21 N O -","- C29 H21 N O -","- C116 H84 N4 O4 -","4","1","","Barsu, Nagaraju; Sen, Malay; Premkumar, J. Richard; Sundararaju, Basker","Cobalt(iii) catalyzed C-8 selective C-H and C-O coupling of quinoline N-oxide with internal alkynes via C-H activation and oxygen atom transfer.","Chemical communications (Cambridge, England)","2016","52","7","1338","1341","10.1039/c5cc08736h","","","0.71073","MoKα","","0.0624","0.0451","","","0.0966","0.1162","","","","","","1.07","","","","has coordinates","175860","2020-10-21","18:00:00",""
"7118186","9.22642","0.00018","9.71725","0.00018","18.0546","0.0004","90","","101.605","0.0019","90","","1585.6","0.06","150","","150","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C12 H14 N6 O6 -","- C12 H14 N6 O6 -","- C48 H56 N24 O24 -","4","1","","Erhardt, Hellmuth; Mohr, Fabian; Kirsch, Stefan F.","Synthesis of geminal bis- and tristriazoles: exploration of unconventional azide chemistry.","Chemical communications (Cambridge, England)","2016","52","3","545","548","10.1039/c5cc08163g","","x-ray","0.71073","MoKα","","0.0579","0.0445","","","0.1101","0.1201","","","","","","1.024","","","","has coordinates","171846","2020-10-21","18:00:00",""
"7118187","14.6712","0.0004","12.489","0.0008","17.0137","0.0011","90","","106.677","0.004","90","","2986.3","0.3","293","","293","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C31 H25 N9 O6 -","- C31 H25 N9 O6 -","- C124 H100 N36 O24 -","4","1","","Erhardt, Hellmuth; Mohr, Fabian; Kirsch, Stefan F.","Synthesis of geminal bis- and tristriazoles: exploration of unconventional azide chemistry.","Chemical communications (Cambridge, England)","2016","52","3","545","548","10.1039/c5cc08163g","","x-ray","0.71073","MoKα","","0.0778","0.048","","","0.1126","0.1298","","","","","","1.014","","","","has coordinates","171846","2020-10-21","18:00:00",""
"7118188","10.7622","0.0011","12.8238","0.0012","13.4282","0.0012","114.432","0.003","100.558","0.003","93.044","0.003","1641.4","0.3","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C33 H35 Cl2 I N4 O Pd -","- C33 H35 Cl2 I N4 O Pd -","- C66 H70 Cl4 I2 N8 O2 Pd2 -","2","1","","Vicente-Hernández, Inmaculada; Chicote, María-Teresa; Vicente, José; Bautista, Delia","A new type of oxidative addition of an iodoarene to a Pd(ii) complex.","Chemical communications (Cambridge, England)","2016","52","3","594","596","10.1039/c5cc07698f","","","0.71073","MoKα","","0.0369","0.0256","","","0.0519","0.0552","","","","","","1.036","","","","has coordinates","171847","2020-10-21","18:00:00",""
"7118189","11.4766","0.0003","11.4766","0.0003","30.5554","0.0011","90","","90","","90","","4024.5","0.2","130","1","130","1","","","","","","","","6","P 4/n c c","-P 4a 2ac","130","","","","- C40 H38 Cu2 N9 O12 S2 -","- C40 H34 Cu2 N9 O12.02 S2 -","- C160 H136 Cu8 N36 O48.08 S8 -","4","","","Abrahams, C. T.; Abrahams, B. F.; Hudson, T. A.; Robson, R.","Templation of a square grid copper(ii) 4,4'-bipyridine network by a 3D PtS-related Cu(i)-Cu(ii) 4,4'-bipyridine crystal.","Chemical communications (Cambridge, England)","2016","52","3","609","612","10.1039/c5cc08266h","","","1.54184","CuKα","","0.087","0.0667","","","0.2106","0.2238","","","","","","1.11","","","","has coordinates","171848","2020-10-21","18:00:00",""
"7118190","11.5095","0.0005","11.5095","0.0005","15.4286","0.0007","90","","90","","90","","2043.8","0.16","240","2","240","2","","","","","","","","6","P 4/n c c","-P 4a 2ac","130","","","","- C20 H20 Cu N4 O8 S2 -","- C20 H20 Cu N4 O8 S2 -","- C80 H80 Cu4 N16 O32 S8 -","4","","","Abrahams, C. T.; Abrahams, B. F.; Hudson, T. A.; Robson, R.","Templation of a square grid copper(ii) 4,4'-bipyridine network by a 3D PtS-related Cu(i)-Cu(ii) 4,4'-bipyridine crystal.","Chemical communications (Cambridge, England)","2016","52","3","609","612","10.1039/c5cc08266h","","x-ray","1.54184","CuKα","","0.0709","0.0604","","","0.1602","0.166","","","","","","1.171","","","","has coordinates","171848","2020-10-21","18:00:00",""
"7118191","12.2821","0.0002","16.7365","0.0003","44.4675","0.0008","90","","90","","90","","9140.7","0.3","173","2","173","2","","","","","","","","8","P b c n","-P 2n 2ab","60","","","","- C39 H36 F9 N O9 P3 S3 Sb -","- C39 H36 F9 N O9 P3 S3 Sb -","- C312 H288 F72 N8 O72 P24 S24 Sb8 -","8","1","","Chitnis, Saurabh S.; Vos, Kevin A.; Burford, Neil; McDonald, Robert; Ferguson, Michael J.","Distinction between coordination and phosphine ligand oxidation: interactions of di- and triphosphines with Pn^3+^ (Pn = P, As, Sb, Bi)","Chemical Communications (Cambridge, United Kingdom)","2016","52","","685","688","10.1039/c5cc08086j","","","1.54178","CuKα","","0.0438","0.0415","","","0.0942","0.0956","","","","","","1.191","","","","has coordinates","209786","2020-10-21","18:00:00",""
"7118192","9.1263","0.0005","19.3196","0.001","21.6426","0.0011","90","","99.3749","0.0006","90","","3765","0.3","173","2","173","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C30 H25 F9 N O9 P2 S3 Sb -","- C30 H25 F9 N O9 P2 S3 Sb -","- C120 H100 F36 N4 O36 P8 S12 Sb4 -","4","1","","Chitnis, Saurabh S.; Vos, Kevin A.; Burford, Neil; McDonald, Robert; Ferguson, Michael J.","Distinction between coordination and phosphine ligand oxidation: interactions of di- and triphosphines with Pn^3+^ (Pn = P, As, Sb, Bi)","Chemical Communications (Cambridge, United Kingdom)","2016","52","","685","688","10.1039/c5cc08086j","","","0.71073","MoKα","","0.0282","0.0233","","","0.0543","0.0568","","","","","","1.034","","","","has coordinates","209786","2020-10-21","18:00:00",""
"7118193","13.3718","0.0004","17.5496","0.0006","15.4871","0.0005","90","","102.96","0.0015","90","","3541.8","0.2","173","2","173","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C29 H24 F9 O9 P2 S3 Sb -","- C29 H24 F9 O9 P2 S3 Sb -","- C116 H96 F36 O36 P8 S12 Sb4 -","4","1","","Chitnis, Saurabh S.; Vos, Kevin A.; Burford, Neil; McDonald, Robert; Ferguson, Michael J.","Distinction between coordination and phosphine ligand oxidation: interactions of di- and triphosphines with Pn^3+^ (Pn = P, As, Sb, Bi)","Chemical Communications (Cambridge, United Kingdom)","2016","52","","685","688","10.1039/c5cc08086j","","","1.54178","CuKα","","0.0481","0.0416","","","0.1055","0.1119","","","","","","1.059","","","","has coordinates,has disorder","209786","2020-10-21","18:00:00",""
"7118194","9.3478","0.0003","10.5315","0.0004","11.3151","0.0004","69.422","0.002","77.825","0.002","77.336","0.002","1006.5","0.06","200","2","200","2","","","","","","","","6","P -1","-P 1","2","","","","- C14 H13 Dy N8 O8 S -","- C14 H13 Dy N8 O8 S -","- C28 H26 Dy2 N16 O16 S2 -","2","1","","Yutronkie, Nathan J.; Kühne, Irina A; Korobkov, Ilia; Brusso, Jaclyn L.; Murugesu, Muralee","Connecting mononuclear dysprosium single-molecule magnets to form dinuclear complexes via in situ ligand oxidation","Chemical Communications (Cambridge, United Kingdom)","2016","52","4","677","680","10.1039/c5cc07629c","","","0.71073","MoKα","","0.0428","0.0345","","","0.0825","0.0863","","","","","","1.022","","","","has coordinates","209781","2020-10-21","18:00:00",""
"7118195","9.347","0.002","10.531","0.002","11.323","0.002","69.422","0.005","77.684","0.005","77.232","0.005","1006.4","0.3","200","2","200","2","","","","","","","","6","P -1","-P 1","2","","","","- C14 H13 N8 O8 S Y -","- C14 H13 N8 O8 S Y -","- C28 H26 N16 O16 S2 Y2 -","2","1","","Yutronkie, Nathan J.; Kühne, Irina A; Korobkov, Ilia; Brusso, Jaclyn L.; Murugesu, Muralee","Connecting mononuclear dysprosium single-molecule magnets to form dinuclear complexes via in situ ligand oxidation","Chemical Communications (Cambridge, United Kingdom)","2016","52","4","677","680","10.1039/c5cc07629c","","","0.71073","MoKα","","0.1191","0.0715","","","0.1572","0.181","","","","","","1.016","","","","has coordinates","209781","2020-10-21","18:00:00",""
"7118196","24.3213","0.0016","10.002","0.0005","32.0407","0.0018","90","","111.912","0.007","90","","7231.2","0.8","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C77 H100 N4 O10 Pd Si -","- C77 H100 N4 O10 Pd Si -","- C308 H400 N16 O40 Pd4 Si4 -","4","1","","Nisar Ahamed, B.; Duchêne, Roland; Robeyns, Koen; Fustin, Charles-André","Catenane-based mechanically-linked block copolymers.","Chemical communications (Cambridge, England)","2016","52","10","2149","2152","10.1039/c5cc09775d","","","0.71073","MoKα","","0.1373","0.096","","","0.2177","0.2456","","","","","","1.039","","","","has coordinates","175862","2020-10-21","18:00:00",""
"7118197","39.473","0.013","12.053","0.0016","35.42","0.012","90","","114.26","0.04","90","","15364","9","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C75 H96 N4 O10 Pd Si -","- C75 H96 N4 O10 Pd Si -","- C600 H768 N32 O80 Pd8 Si8 -","8","1","","Nisar Ahamed, B.; Duchêne, Roland; Robeyns, Koen; Fustin, Charles-André","Catenane-based mechanically-linked block copolymers.","Chemical communications (Cambridge, England)","2016","52","10","2149","2152","10.1039/c5cc09775d","","","0.71073","MoKα","","0.1694","0.1127","","","0.2238","0.2565","","","","","","1.066","","","","has coordinates","175862","2020-10-21","18:00:00",""
"7118198","37.2375","0.0009","11.7434","0.0002","32.5955","0.0009","90","","101.666","0.003","90","","13959.4","0.6","100","2","100","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C75 H93 N4 O13 Pd -","- C75 H93 N4 O13 Pd -","- C600 H744 N32 O104 Pd8 -","8","1","","Nisar Ahamed, B.; Duchêne, Roland; Robeyns, Koen; Fustin, Charles-André","Catenane-based mechanically-linked block copolymers.","Chemical communications (Cambridge, England)","2016","52","10","2149","2152","10.1039/c5cc09775d","","","0.82103","synchrotron","","0.0771","0.071","","","0.1949","0.2022","","","","","","1.007","","","","has coordinates,has disorder","175862","2020-10-21","18:00:00",""
"7118199","15.6981","0.0004","7.4997","0.0002","16.6619","0.0004","90","","93.155","0.001","90","","1958.65","0.09","223","2","223","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H29 O P -","- C22 H29 O P -","- C88 H116 O4 P4 -","4","1","","Krupski, Sergei; Kehr, Gerald; Daniliuc, Constantin G.; Erker, Gerhard","Cyclopropane formation under frustrated Lewis pair conditions.","Chemical communications (Cambridge, England)","2016","52","13","2695","2697","10.1039/c5cc09585a","","","0.71073","MoKα","","0.1117","0.0729","","","0.144","0.1669","","","","","","1.105","","","","has coordinates,has disorder","177634","2020-10-21","18:00:00",""
"7118200","8.3322","0.0002","8.5865","0.0003","13.0867","0.0004","87.833","0.001","85.945","0.001","86.322","0.001","931.49","0.05","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C22 H29 P -","- C22 H29 P -","- C44 H58 P2 -","2","1","","Krupski, Sergei; Kehr, Gerald; Daniliuc, Constantin G.; Erker, Gerhard","Cyclopropane formation under frustrated Lewis pair conditions.","Chemical communications (Cambridge, England)","2016","52","13","2695","2697","10.1039/c5cc09585a","","","1.54178","CuKα","","0.0416","0.0353","","","0.0884","0.0925","","","","","","1.065","","","","has coordinates,has disorder","177634","2020-10-21","18:00:00",""
"7118201","10.8091","0.0002","25.3584","0.0003","16.9567","0.0004","90","","96.133","0.001","90","","4621.25","0.15","223","2","223","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C43 H37 B F15 O P Si -","- C43 H37 B F15 O P Si -","- C172 H148 B4 F60 O4 P4 Si4 -","4","1","","Krupski, Sergei; Kehr, Gerald; Daniliuc, Constantin G.; Erker, Gerhard","Cyclopropane formation under frustrated Lewis pair conditions.","Chemical communications (Cambridge, England)","2016","52","13","2695","2697","10.1039/c5cc09585a","","","0.71073","MoKα","","0.0973","0.0704","","","0.18","0.1966","","","","","","1.049","","","","has coordinates","177634","2020-10-21","18:00:00",""
"7118202","9.4516","0.0004","12.1427","0.0005","12.2399","0.0004","110.414","0.001","100.07","0.001","97.111","0.001","1269.99","0.09","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C25 H6 B F15 O -","- C25 H6 B F15 O -","- C50 H12 B2 F30 O2 -","2","1","","Krupski, Sergei; Kehr, Gerald; Daniliuc, Constantin G.; Erker, Gerhard","Cyclopropane formation under frustrated Lewis pair conditions.","Chemical communications (Cambridge, England)","2016","52","13","2695","2697","10.1039/c5cc09585a","","","0.71073","MoKα","","0.0466","0.036","","","0.0929","0.0979","","","","","","1.06","","","","has coordinates","177634","2020-10-21","18:00:00",""
"7118203","12.01","0.002","13.437","0.003","16.32","0.003","106.161","0.003","102.667","0.003","98.007","0.001","2411","0.8","173.15","","173.15","","","","","","","","","6","P -1","-P 1","2","","","","- C96 H110 F12 N8 O18 P2 -","- C96 H110 F12 N8 O18 P2 -","- C96 H110 F12 N8 O18 P2 -","1","0.5","","Han, Ying; Meng, Zheng; Chen, Chuan-Feng","Acid/base controllable complexation of a triptycene-derived macrotricyclic host and protonated 4,4'-bipyridinium/pyridinium salts.","Chemical communications (Cambridge, England)","2016","52","3","590","593","10.1039/c5cc08166a","","","0.71073","MoKα","","0.0853","0.0815","","","0.1908","0.1939","","","","","","1.158","","","","has coordinates","171854","2020-10-21","18:00:00",""
"7118204","13.799","0.003","15.7","0.003","22.416","0.005","104.6","0.03","96.36","0.03","107.93","0.03","4377","2","173.15","","173.15","","","","","","","","","6","P -1","-P 1","2","","","","- C90 H96 F12 N2 O16 P2 -","- C90 H96 F12 N2 O16 P2 -","- C180 H192 F24 N4 O32 P4 -","2","1","","Han, Ying; Meng, Zheng; Chen, Chuan-Feng","Acid/base controllable complexation of a triptycene-derived macrotricyclic host and protonated 4,4'-bipyridinium/pyridinium salts.","Chemical communications (Cambridge, England)","2016","52","3","590","593","10.1039/c5cc08166a","","","0.71073","MoKα","","0.2537","0.1931","","","0.372","0.4032","","","","","","1.673","","","","has coordinates","171854","2020-10-21","18:00:00",""
"7118205","20.956","0.007","17.451","0.005","24.943","0.008","90","","109.498","0.004","90","","8599","5","173.15","","173.15","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C80 H88 Cl6 F12 N2 O16 P2 -","- C80 H88 Cl6 F12 N2 O16 P2 -","- C320 H352 Cl24 F48 N8 O64 P8 -","4","0.5","","Han, Ying; Meng, Zheng; Chen, Chuan-Feng","Acid/base controllable complexation of a triptycene-derived macrotricyclic host and protonated 4,4'-bipyridinium/pyridinium salts.","Chemical communications (Cambridge, England)","2016","52","3","590","593","10.1039/c5cc08166a","","","0.71073","MoKα","","0.1618","0.145","","","0.3594","0.3734","","","","","","2.347","","","","has coordinates,has disorder","171854","2020-10-21","18:00:00",""
"7118206","12.778","0.012","12.983","0.014","14.022","0.014","108.815","0.019","93.025","0.012","100.752","0.011","2147","4","173.15","","173.15","","","","","","","","","6","P -1","-P 1","2","","","","- C92 H104 F12 N2 O20 P2 -","- C92 H104 F12 N2 O20 P2 -","- C92 H104 F12 N2 O20 P2 -","1","0.5","","Han, Ying; Meng, Zheng; Chen, Chuan-Feng","Acid/base controllable complexation of a triptycene-derived macrotricyclic host and protonated 4,4'-bipyridinium/pyridinium salts.","Chemical communications (Cambridge, England)","2016","52","3","590","593","10.1039/c5cc08166a","","","0.71073","MoKα","","0.1081","0.095","","","0.2632","0.2738","","","","","","1.525","","","","has coordinates","171854","2020-10-21","18:00:00",""
"7118207","11.62","0.0016","11.0673","0.0014","21.125","0.003","90","","98.311","0.004","90","","2688.2","0.6","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","6t","Trans-2,3-di-4-tolyl-4-tosyl-1,2,3,4-tetrahydrocyclopenta[b]indole","","- C32 H29 N O2 S -","- C32 H29 N O2 S -","- C128 H116 N4 O8 S4 -","4","1","","Wang, Zhiming; Xu, Xingzhu; Gu, Zhanshou; Feng, Wei; Qian, Houjun; Li, Zhengyi; Sun, Xiaoqiang; Kwon, Ohyun","Nazarov cyclization of 1,4-pentadien-3-ols: preparation of cyclopenta[b]indoles and spiro[indene-1,4'-quinoline]s.","Chemical communications (Cambridge, England)","2016","52","13","2811","2814","10.1039/c5cc08596a","","","0.71073","MoKα","","0.0965","0.0481","","","0.1195","0.1345","","","","","","1.002","","","","has coordinates","177636","2020-10-21","18:00:00",""
"7118208","13.926","0.002","10.6835","0.0016","14.955","0.002","90","","92.243","0.004","90","","2223.3","0.5","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","6v","2,2-Dimethyl-3-phenyl-4-tosyl-1,2,3,4-tetrahydrocyclopenta[b]indole","","- C26 H25 N O2 S -","- C26 H25 N O2 S -","- C104 H100 N4 O8 S4 -","4","1","","Wang, Zhiming; Xu, Xingzhu; Gu, Zhanshou; Feng, Wei; Qian, Houjun; Li, Zhengyi; Sun, Xiaoqiang; Kwon, Ohyun","Nazarov cyclization of 1,4-pentadien-3-ols: preparation of cyclopenta[b]indoles and spiro[indene-1,4'-quinoline]s.","Chemical communications (Cambridge, England)","2016","52","13","2811","2814","10.1039/c5cc08596a","","","0.71073","MoKα","","0.063","0.0467","","","0.1242","0.1329","","","","","","1.076","","","","has coordinates","177636","2020-10-21","18:00:00",""
"7118209","10.4657","0.0014","19.751","0.003","12.477","0.002","90","","114.712","0.003","90","","2342.9","0.6","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","9","N-(2-(trans-5-ethoxy-3-phenylcyclopent-1-en-1-yl)phenyl)-4-methylbenzenesulfonamide","","- C26 H27 N O3 S -","- C26 H27 N O3 S -","- C104 H108 N4 O12 S4 -","4","1","","Wang, Zhiming; Xu, Xingzhu; Gu, Zhanshou; Feng, Wei; Qian, Houjun; Li, Zhengyi; Sun, Xiaoqiang; Kwon, Ohyun","Nazarov cyclization of 1,4-pentadien-3-ols: preparation of cyclopenta[b]indoles and spiro[indene-1,4'-quinoline]s.","Chemical communications (Cambridge, England)","2016","52","13","2811","2814","10.1039/c5cc08596a","","","0.71073","MoKα","","0.1089","0.0527","","","0.1305","0.157","","","","","","1.003","","","","has coordinates","177636","2020-10-21","18:00:00",""
"7118210","10.6663","0.0011","10.8826","0.0012","18.121","0.002","90","","103.78","0.002","90","","2042.9","0.4","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","10","2-Phenyl-4-tosyl-2,3,3a,4-tetrahydrocyclopenta[b]indole","","- C24 H21 N O2 S -","- C24 H21 N O2 S -","- C96 H84 N4 O8 S4 -","4","1","","Wang, Zhiming; Xu, Xingzhu; Gu, Zhanshou; Feng, Wei; Qian, Houjun; Li, Zhengyi; Sun, Xiaoqiang; Kwon, Ohyun","Nazarov cyclization of 1,4-pentadien-3-ols: preparation of cyclopenta[b]indoles and spiro[indene-1,4'-quinoline]s.","Chemical communications (Cambridge, England)","2016","52","13","2811","2814","10.1039/c5cc08596a","","","0.71073","MoKα","","0.0613","0.0434","","","0.123","0.134","","","","","","1.055","","","","has coordinates","177636","2020-10-21","18:00:00",""
"7118211","14.001","0.003","12.335","0.002","11.587","0.003","90","","95.497","0.005","90","","1991.9","0.7","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","8y","1'-(Methylsulfonyl)-3-phenyl-2',3'-dihydro-1'H-spiro[indene-1,4'-quinoline]","","- C24 H21 N O2 S -","- C24 H21 N O2 S -","- C96 H84 N4 O8 S4 -","4","1","","Wang, Zhiming; Xu, Xingzhu; Gu, Zhanshou; Feng, Wei; Qian, Houjun; Li, Zhengyi; Sun, Xiaoqiang; Kwon, Ohyun","Nazarov cyclization of 1,4-pentadien-3-ols: preparation of cyclopenta[b]indoles and spiro[indene-1,4'-quinoline]s.","Chemical communications (Cambridge, England)","2016","52","13","2811","2814","10.1039/c5cc08596a","","","0.71073","MoKα","","0.1133","0.0537","","","0.1144","0.1325","","","","","","0.992","","","","has coordinates","177636","2020-10-21","18:00:00",""
"7118212","8.9249","0.001","9.9995","0.001","22.944","0.0019","90","","107.13","0.004","90","","1956.8","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","6a","2-Phenyl-4-tosyl-1,2,3,4-tetrahydrocyclopenta[b]indole","","- C24 H21 N O2 S -","- C24 H21 N O2 S -","- C96 H84 N4 O8 S4 -","4","1","","Wang, Zhiming; Xu, Xingzhu; Gu, Zhanshou; Feng, Wei; Qian, Houjun; Li, Zhengyi; Sun, Xiaoqiang; Kwon, Ohyun","Nazarov cyclization of 1,4-pentadien-3-ols: preparation of cyclopenta[b]indoles and spiro[indene-1,4'-quinoline]s.","Chemical communications (Cambridge, England)","2016","52","13","2811","2814","10.1039/c5cc08596a","","","0.71073","MoKα","","0.0577","0.0446","","","0.1237","0.1309","","","","","","1.006","","","","has coordinates","177636","2020-10-21","18:00:00",""
"7118213","13.58","0.003","21.768","0.006","17.29","0.004","90","","111.548","0.004","90","","4754","2","173","","173","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C54 H58 N3 P2 Rh -","- C54 H58 N3 P2 Rh -","- C216 H232 N12 P8 Rh4 -","4","1","","Hänninen, Mikko M; Zamora, Matthew T.; MacNeil, Connor S.; Knott, Jackson P.; Hayes, Paul G.","Elucidation of the resting state of a rhodium NNN-pincer hydrogenation catalyst that features a remarkably upfield hydride (1)H NMR chemical shift.","Chemical communications (Cambridge, England)","2016","52","3","586","589","10.1039/c5cc08348f","","","0.71073","MoKα","","0.0457","0.0331","","","0.0754","0.0823","","","","","","1.056","","","","has coordinates,has disorder","171856","2020-10-21","18:00:00",""
"7118214","16.185","0.01","18.144","0.011","15.477","0.01","90","","118.406","0.008","90","","3998","4","173","2","173.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C48 H48 N3 P2 Rh -","- C48 H48 N3 P2 Rh -","- C192 H192 N12 P8 Rh4 -","4","1","","Hänninen, Mikko M; Zamora, Matthew T.; MacNeil, Connor S.; Knott, Jackson P.; Hayes, Paul G.","Elucidation of the resting state of a rhodium NNN-pincer hydrogenation catalyst that features a remarkably upfield hydride (1)H NMR chemical shift.","Chemical communications (Cambridge, England)","2016","52","3","586","589","10.1039/c5cc08348f","","","0.71073","MoKα","","0.2886","0.0832","","","0.1122","0.1692","","","","","","0.894","","","","has coordinates","171856","2020-10-21","18:00:00",""
"7118215","13.567","0.004","28.198","0.008","16.293","0.005","90","","109.213","0.006","90","","5886","3","173","","173","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C72 H66 N3 P2 Rh -","- C72 H66 N3 P2 Rh -","- C288 H264 N12 P8 Rh4 -","4","1","","Hänninen, Mikko M; Zamora, Matthew T.; MacNeil, Connor S.; Knott, Jackson P.; Hayes, Paul G.","Elucidation of the resting state of a rhodium NNN-pincer hydrogenation catalyst that features a remarkably upfield hydride (1)H NMR chemical shift.","Chemical communications (Cambridge, England)","2016","52","3","586","589","10.1039/c5cc08348f","","","0.71073","MoKα","","0.0828","0.0619","","","0.1491","0.1601","","","","","","1.119","","","","has coordinates,has disorder","171856","2020-10-21","18:00:00",""
"7118216","42.986","0.011","17.237","0.004","27.577","0.009","90","","119.527","0.005","90","","17779","8","173","","173","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C98 H96 N6 P4 Rh2 -","- C98 H96 N6 P4 Rh2 -","- C784 H768 N48 P32 Rh16 -","8","1","","Hänninen, Mikko M; Zamora, Matthew T.; MacNeil, Connor S.; Knott, Jackson P.; Hayes, Paul G.","Elucidation of the resting state of a rhodium NNN-pincer hydrogenation catalyst that features a remarkably upfield hydride (1)H NMR chemical shift.","Chemical communications (Cambridge, England)","2016","52","3","586","589","10.1039/c5cc08348f","","","0.71073","MoKα","","0.0609","0.0412","","","0.1085","0.1168","","","","","","1.077","","","","has coordinates,has disorder","171856","2020-10-21","18:00:00",""
"7118217","13.907","0.007","27.103","0.013","16.593","0.009","90","","112.133","0.011","90","","5793","5","173","","173","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C60 H56 N3 P2 Rh -","- C60 H56 N3 P2 Rh -","- C240 H224 N12 P8 Rh4 -","4","1","","Hänninen, Mikko M; Zamora, Matthew T.; MacNeil, Connor S.; Knott, Jackson P.; Hayes, Paul G.","Elucidation of the resting state of a rhodium NNN-pincer hydrogenation catalyst that features a remarkably upfield hydride (1)H NMR chemical shift.","Chemical communications (Cambridge, England)","2016","52","3","586","589","10.1039/c5cc08348f","","","0.71073","MoKα","","0.1645","0.0658","","","0.1357","0.1579","","","","","","0.896","","","","has coordinates,has disorder","171856","2020-10-21","18:00:00",""
"7118221","10.0641","0.0003","11.0425","0.0003","12.1824","0.0003","114.924","0.001","95.055","0.001","111.476","0.001","1094.39","0.05","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C13 H11 F N2 -","- C13 H11 F N2 -","- C52 H44 F4 N8 -","4","2","","Dey, Dhananjay; Thomas, Sajesh P.; Spackman, Mark A.; Chopra, Deepak","'Quasi-isostructural polymorphism' in molecular crystals: inputs from interaction hierarchy and energy frameworks.","Chemical communications (Cambridge, England)","2016","52","10","2141","2144","10.1039/c5cc09741j","","","0.71073","MoKα","","0.0361","0.0338","","","0.0813","0.0828","","","","","","1.02","","","","has coordinates,has disorder","288505","2023-12-22","15:12:04",""
"7118222","12.7028","0.0017","8.3775","0.0008","11.5509","0.0012","90","","117.017","0.005","90","","1095.1","0.2","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C13 H10 F2 N2 -","- C13 H10 F2 N2 -","- C52 H40 F8 N8 -","4","1","","Dey, Dhananjay; Thomas, Sajesh P.; Spackman, Mark A.; Chopra, Deepak","'Quasi-isostructural polymorphism' in molecular crystals: inputs from interaction hierarchy and energy frameworks.","Chemical communications (Cambridge, England)","2016","52","10","2141","2144","10.1039/c5cc09741j","","","0.71073","MoKα","","0.0685","0.0503","","","0.1263","0.1379","","","","","","1.026","","","","has coordinates,has disorder","288505","2023-12-22","15:12:04",""
"7118223","11.1829","0.0005","11.5006","0.0005","26.2259","0.0012","90","","92.219","0.003","90","","3370.4","0.3","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C41 H33 N3 O6 -","- C41 H33 N3 O6 -","- C164 H132 N12 O24 -","4","1","","Kim, Jeong Gyun; Noh, Tae Hwan; Cho, Yoonjung; Park, Jin Kyoon; Jung, Ok-Sang","A triple-function nanotube as a reactant reservoir, reaction platform, and byproduct scavenger for photo-cyclopropanation.","Chemical communications (Cambridge, England)","2016","52","12","2545","2548","10.1039/c5cc09967f","","","0.71073","MoKα","","0.2677","0.14","","","0.3853","0.4384","","","","","","1.186","","","","has coordinates,has disorder","175874","2020-10-21","18:00:00",""
"7118224","54.6374","0.0005","54.6374","0.0005","8.9458","0.0001","90","","90","","120","","23127.6","0.4","173","2","173","2","","","","","","","","7","R -3 :H","-R 3","148","","","","- C41 H33 Cd Cl0 I2 N3 O6 -","- C41 H33 Cd I2 N3 O6 -","- C738 H594 Cd18 I36 N54 O108 -","18","1","","Kim, Jeong Gyun; Noh, Tae Hwan; Cho, Yoonjung; Park, Jin Kyoon; Jung, Ok-Sang","A triple-function nanotube as a reactant reservoir, reaction platform, and byproduct scavenger for photo-cyclopropanation.","Chemical communications (Cambridge, England)","2016","52","12","2545","2548","10.1039/c5cc09967f","","","0.71073","MoKα","","0.0955","0.0465","","","0.1117","0.1236","","","","","","0.889","","","","has coordinates","175874","2020-10-21","18:00:00",""
"7118225","54.5811","0.001","54.5811","0.001","8.9081","0.0002","90","","90","","120","","22982.7","0.8","173","2","173","2","","","","","","","","7","R -3 :H","-R 3","148","","","","- C42.17 H36 Br Cd I2 N3 O6.33 -","- C42.1666 H35.9998 Br Cd I2 N3 O6.3333 -","- C758.999 H647.996 Br18 Cd18 I36 N54 O113.999 -","18","1","","Kim, Jeong Gyun; Noh, Tae Hwan; Cho, Yoonjung; Park, Jin Kyoon; Jung, Ok-Sang","A triple-function nanotube as a reactant reservoir, reaction platform, and byproduct scavenger for photo-cyclopropanation.","Chemical communications (Cambridge, England)","2016","52","12","2545","2548","10.1039/c5cc09967f","","","0.71073","MoKα","","0.0998","0.0634","","","0.1916","0.2088","","","","","","1.01","","","","has coordinates","175874","2020-10-21","18:00:00",""
"7118226","54.772","0.0011","54.772","0.0011","8.8733","0.0002","90","","90","","120","","23053.3","0.8","173","2","173","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C42 H35 Cd I4 N3 O6 -","- C42 H35 Cd I4 N3 O6 -","- C756 H630 Cd18 I72 N54 O108 -","18","1","","Kim, Jeong Gyun; Noh, Tae Hwan; Cho, Yoonjung; Park, Jin Kyoon; Jung, Ok-Sang","A triple-function nanotube as a reactant reservoir, reaction platform, and byproduct scavenger for photo-cyclopropanation.","Chemical communications (Cambridge, England)","2016","52","12","2545","2548","10.1039/c5cc09967f","","","0.71073","MoKα","","0.2068","0.111","","","0.3318","0.3636","","","","","","1.09","","","","has coordinates,has disorder","175874","2020-10-21","18:00:00",""
"7118227","54.8819","0.0011","54.8819","0.0011","8.8759","0.0002","90","","90","","120","","23152.7","0.8","173","2","173","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C41 H33 Cd I2 N3 O6 -","- C41 H33 Cd I2 N3 O6 -","- C738 H594 Cd18 I36 N54 O108 -","18","1","","Kim, Jeong Gyun; Noh, Tae Hwan; Cho, Yoonjung; Park, Jin Kyoon; Jung, Ok-Sang","A triple-function nanotube as a reactant reservoir, reaction platform, and byproduct scavenger for photo-cyclopropanation.","Chemical communications (Cambridge, England)","2016","52","12","2545","2548","10.1039/c5cc09967f","","","0.71073","MoKα","","0.1169","0.061","","","0.1412","0.1536","","","","","","0.884","","","","has coordinates","175874","2020-10-21","18:00:00",""
"7118228","10.692","0.002","11.464","0.002","24.031","0.005","90","","90","","90","","2945.6","1","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C25 H21 Co N7 O5 S2 -","- C25 H21 Co N7 O5 S2 -","- C100 H84 Co4 N28 O20 S8 -","4","1","","Dey, Mamon; Dutta, Snigdha; Sarma, Bipul; Deka, Ramesh Ch.; Gogoi, Nayanmoni","Modulation of the coordination environment: a convenient approach to tailor magnetic anisotropy in seven coordinate Co(II) complexes","Chemical Communications (Cambridge, United Kingdom)","2016","52","4","753","756","10.1039/c5cc07397a","","","0.71073","MoKα","","0.0443","0.037","","","0.0938","0.107","","","","","","1.1","","","","has coordinates","209787","2020-10-21","18:00:00",""
"7118229","26.039","0.0011","11.4044","0.0005","7.3288","0.0004","90","","90","","90","","2176.35","0.18","100","2","100","2","","","","","","","","5","C m c 21","C 2c -2","36","","","","- C23 H21 Co N5 O4 -","- C23 H21 Co N5 O4 -","- C92 H84 Co4 N20 O16 -","4","0.5","","Dey, Mamon; Dutta, Snigdha; Sarma, Bipul; Deka, Ramesh Ch.; Gogoi, Nayanmoni","Modulation of the coordination environment: a convenient approach to tailor magnetic anisotropy in seven coordinate Co(II) complexes","Chemical Communications (Cambridge, United Kingdom)","2016","52","4","753","756","10.1039/c5cc07397a","","","0.71073","MoKα","","0.0432","0.034","","","0.09","0.1232","","","","","","1.209","","","","has coordinates","209787","2020-10-21","18:00:00",""
"7118230","13.0622","0.0004","8.2259","0.0002","13.1485","0.0004","90","","106.33","0.001","90","","1355.79","0.07","173","2","173","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C26 H18 Br Cl4 N2 O4 -","- C26 H18 Br Cl4 N2 O4 -","- C52 H36 Br2 Cl8 N4 O8 -","2","1","","Cao, Zhong-Yan; Zhao, Yu-Lei; Zhou, Jian","Sequential Au(i)/chiral tertiary amine catalysis: a tandem C-H functionalization of anisoles or a thiophene/asymmetric Michael addition sequence to quaternary oxindoles.","Chemical communications (Cambridge, England)","2016","52","12","2537","2540","10.1039/c5cc10096h","","","0.71073","MoKα","","0.0305","0.0272","","","0.0639","0.0649","","","","","","1.053","","","","has coordinates","175877","2020-10-21","18:00:00",""
"7118231","12.315","0.0002","13.9146","0.0003","15.2049","0.0003","90","","90","","90","","2605.49","0.09","173","2","173","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C27 H21 Br Cl2 N2 O5 -","- C27 H21 Br Cl2 N2 O5 -","- C108 H84 Br4 Cl8 N8 O20 -","4","1","","Cao, Zhong-Yan; Zhao, Yu-Lei; Zhou, Jian","Sequential Au(i)/chiral tertiary amine catalysis: a tandem C-H functionalization of anisoles or a thiophene/asymmetric Michael addition sequence to quaternary oxindoles.","Chemical communications (Cambridge, England)","2016","52","12","2537","2540","10.1039/c5cc10096h","","","0.71073","MoKα","","0.0282","0.025","","","0.0594","0.0609","","","","","","1.036","","","","has coordinates","175877","2020-10-21","18:00:00",""
"7118232","14.6406","0.0002","9.57209","0.00015","19.5953","0.0003","90","","97.003","0.0014","90","","2725.62","0.07","123.01","0.1","123.01","0.1","","","","","","","","5","I 1 2 1","I 2y","5","","","","- C31 H30 Br N3 O5 -","- C31 H30 Br N3 O5 -","- C124 H120 Br4 N12 O20 -","4","1","","Zhao, Kun; Zhi, Ying; Li, Xinyi; Puttreddy, Rakesh; Rissanen, Kari; Enders, Dieter","Asymmetric synthesis of 3,3'-pyrrolidinyl-dispirooxindoles via a one-pot organocatalytic Mannich/deprotection/aza-Michael sequence.","Chemical communications (Cambridge, England)","2016","52","11","2249","2252","10.1039/c5cc10057g","","x-ray","1.54184","CuKα","","0.0295","0.0279","","","0.0724","0.0738","","","","","","1.046","","","","has coordinates,has disorder","175893","2020-10-21","18:00:00",""
"7118241","28.286","0.004","20.9422","0.0003","27.5862","0.0015","90","","120.798","0.006","90","","14037","2","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C40 H24 In N2 O8 -","- C40 H24 In N2 O8 -","- C320 H192 In8 N16 O64 -","8","1","","Li, Xingjun; Chen, Xueyuan; Jiang, Feilong; Chen, Lian; Lu, Shan; Chen, Qihui; Wu, Mingyan; Yuan, Daqiang; Hong, Maochun","The dynamic response of a flexible indium based metal-organic framework to gas sorption.","Chemical communications (Cambridge, England)","2016","52","11","2277","2280","10.1039/c5cc09461e","","","1.54184","CuKα","","0.0742","0.0597","","","0.1802","0.1928","","","","","","1.009","","","","has coordinates","175879","2020-10-21","18:00:00",""
"7118242","26.9793","0.0006","21.3293","0.0004","26.4721","0.0005","90","","97.001","0.002","90","","15119.8","0.5","100","2","100","2","","","","","","","","5","I 1 2/c 1","-I 2yc","15","","","","- C40 H24 In N2 O8 -","- C40 H24 In N2 O8 -","- C320 H192 In8 N16 O64 -","8","1","","Li, Xingjun; Chen, Xueyuan; Jiang, Feilong; Chen, Lian; Lu, Shan; Chen, Qihui; Wu, Mingyan; Yuan, Daqiang; Hong, Maochun","The dynamic response of a flexible indium based metal-organic framework to gas sorption.","Chemical communications (Cambridge, England)","2016","52","11","2277","2280","10.1039/c5cc09461e","","","1.54184","CuKα","","0.0693","0.0587","","","0.1696","0.1792","","","","","","1.071","","","","has coordinates","175879","2020-10-21","18:00:00",""
"7118243","8.352","0.0002","22.5729","0.0006","18.2914","0.0005","90","","100.772","0.002","90","","3387.69","0.15","173","2","173","2","","","","","","","","9","P 1 21/n 1","-P 2yn","14","","Carbonyl-diiodacetylene-dimethylaminopyridine-hydridotris(3,5-dimethylpyrazolylborato)tungsten(II)-hexafluorophosphate","","- C25 H32 B F6 I2 N8 O P W -","- C25 H32 B F6 I2 N8 O P W -","- C100 H128 B4 F24 I8 N32 O4 P4 W4 -","4","1","","Helmdach, Kai; Rüger, Julia; Villinger, Alexander; Seidel, Wolfram W.","Dual nucleophilic substitution at a W(ii) η(2)-coordinated diiodo acetylene leading to an amidinium carbyne complex.","Chemical communications (Cambridge, England)","2016","52","12","2616","2619","10.1039/c5cc10397e","","","0.71073","MoKα","","0.1608","0.0635","","","0.1022","0.1327","","","","","","1.005","","","","has coordinates,has disorder","175867","2020-10-21","18:00:00",""
"7118244","25.7178","0.0009","11.6201","0.0004","25.7435","0.0008","90","","97.686","0.002","90","","7624.2","0.4","173","2","173","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","Di(carbonyl)-N,N'-dibenzylamidiniumcarbyne)-hydridotris(3,5-dimethylpyrazolylborato)tungsten(II)-hexafluorophosphate","","- C33 H38 B F6 N8 O2 P W -","- C33 H38 B F6 N8 O2 P W -","- C264 H304 B8 F48 N64 O16 P8 W8 -","8","2","","Helmdach, Kai; Rüger, Julia; Villinger, Alexander; Seidel, Wolfram W.","Dual nucleophilic substitution at a W(ii) η(2)-coordinated diiodo acetylene leading to an amidinium carbyne complex.","Chemical communications (Cambridge, England)","2016","52","12","2616","2619","10.1039/c5cc10397e","","","0.71073","MoKα","","0.0815","0.0512","","","0.0925","0.1052","","","","","","1.018","","","","has coordinates,has disorder","175867","2020-10-21","18:00:00",""
"7118245","12.3928","0.0005","8.3243","0.0004","18.5364","0.0008","90","","95.888","0.001","90","","1902.15","0.14","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H21 Br O5 -","- C20 H21 Br O5 -","- C80 H84 Br4 O20 -","4","1","","Yu, Zhunzhun; Qiu, Haile; Liu, Lu; Zhang, Junliang","Gold-catalyzed construction of two adjacent quaternary stereocenters via sequential C-H functionalization and aldol annulation.","Chemical communications (Cambridge, England)","2016","52","11","2257","2260","10.1039/c5cc08880a","","","0.71073","MoKα","","0.0567","0.035","","","0.0827","0.0965","","","","","","1.014","","","","has coordinates","175881","2020-10-21","18:00:00",""
"7118246","9.2166","0.0003","9.0685","0.0003","23.2491","0.0008","90","","99.08","0.001","90","","1918.83","0.11","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C21 H23 Br O5 -","- C21 H23 Br O5 -","- C84 H92 Br4 O20 -","4","1","","Yu, Zhunzhun; Qiu, Haile; Liu, Lu; Zhang, Junliang","Gold-catalyzed construction of two adjacent quaternary stereocenters via sequential C-H functionalization and aldol annulation.","Chemical communications (Cambridge, England)","2016","52","11","2257","2260","10.1039/c5cc08880a","","","0.71073","MoKα","","0.1123","0.0928","","","0.2416","0.2745","","","","","","1.142","","","","has coordinates","175881","2020-10-21","18:00:00",""
"7118247","10.9476","0.0004","11.03","0.0003","11.0714","0.0003","86.1003","0.0017","64.8281","0.0017","60.6087","0.0015","1037.28","0.06","103","2","103","2","","","","","","","","4","P -1","-P 1","2","","","","- C27 H24 N2 O3 -","- C27 H24 N2 O3 -","- C54 H48 N4 O6 -","2","1","","Zhu, Xu; Chiba, Shunsuke","Construction of 1-pyrroline skeletons by Lewis acid-mediated conjugate addition of vinyl azides.","Chemical communications (Cambridge, England)","2016","52","12","2473","2476","10.1039/c5cc10299e","","","0.71073","MoKα","","0.0537","0.0425","","","0.1187","0.1368","","","","","","1.07","","","","has coordinates","175868","2020-10-21","18:00:00",""
"7118249","9.365","0.0009","11.4265","0.001","11.9971","0.0011","74.104","0.003","80.112","0.003","71.016","0.003","1162.72","0.19","103","2","103","2","","","","","","","","4","P -1","-P 1","2","","","","- C31 H24 N2 O2 -","- C31 H24 N2 O2 -","- C62 H48 N4 O4 -","2","1","","Zhu, Xu; Chiba, Shunsuke","Construction of 1-pyrroline skeletons by Lewis acid-mediated conjugate addition of vinyl azides.","Chemical communications (Cambridge, England)","2016","52","12","2473","2476","10.1039/c5cc10299e","","","0.71073","MoKα","","0.0818","0.0502","","","0.1027","0.1209","","","","","","1.023","","","","has coordinates","175868","2020-10-21","18:00:00",""
"7118250","18.817","0.003","10.53","0.0012","9.5207","0.0015","90","","96.996","0.008","90","","1872.4","0.5","103","2","103","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C25 H20 N3 O -","- C25 H19 N3 O -","- C100 H76 N12 O4 -","4","1","","Zhu, Xu; Chiba, Shunsuke","Construction of 1-pyrroline skeletons by Lewis acid-mediated conjugate addition of vinyl azides.","Chemical communications (Cambridge, England)","2016","52","12","2473","2476","10.1039/c5cc10299e","","","0.71073","MoKα","","0.1677","0.0749","","","0.2004","0.2439","","","","","","1.039","","","","has coordinates,has disorder","175868","2020-10-21","18:00:00",""
"7118251","9.469","0.0009","10.0316","0.0011","13.1967","0.0013","83.975","0.003","70.468","0.003","85.668","0.003","1173.8","0.2","103","2","103","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H28 Cl N O3 -","- C27 H29 Cl N2 O3 -","- C54 H58 Cl2 N4 O6 -","2","1","","Zhu, Xu; Chiba, Shunsuke","Construction of 1-pyrroline skeletons by Lewis acid-mediated conjugate addition of vinyl azides.","Chemical communications (Cambridge, England)","2016","52","12","2473","2476","10.1039/c5cc10299e","","","0.71073","MoKα","","0.0874","0.0553","","","0.1342","0.1631","","","","","","1.047","","","","has coordinates","175868","2020-10-21","18:00:00",""
"7118252","8.3566","0.0006","17.7311","0.0014","10.5304","0.0007","90","","101.637","0.005","90","","1528.24","0.19","103","2","103","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H15 N O4 -","- C19 H15 N O4 -","- C76 H60 N4 O16 -","4","1","","Zhu, Xu; Chiba, Shunsuke","Construction of 1-pyrroline skeletons by Lewis acid-mediated conjugate addition of vinyl azides.","Chemical communications (Cambridge, England)","2016","52","12","2473","2476","10.1039/c5cc10299e","","","0.71073","MoKα","","0.1519","0.0822","","","0.1787","0.2231","","","","","","0.966","","","","has coordinates","175868","2020-10-21","18:00:00",""
"7118253","8.2128","0.0006","12.0722","0.0009","12.1473","0.001","80.826","0.003","73.356","0.003","74.316","0.002","1106.54","0.15","103","2","103","2","","","","","","","","4","P -1","-P 1","2","","","","- C27 H26 N2 O3 -","- C27 H26 N2 O3 -","- C54 H52 N4 O6 -","2","1","","Zhu, Xu; Chiba, Shunsuke","Construction of 1-pyrroline skeletons by Lewis acid-mediated conjugate addition of vinyl azides.","Chemical communications (Cambridge, England)","2016","52","12","2473","2476","10.1039/c5cc10299e","","","0.71073","MoKα","","0.0881","0.0585","","","0.1351","0.1554","","","","","","1.032","","","","has coordinates","175868","2020-10-21","18:00:00",""
"7118254","15.9415","0.0012","14.8517","0.0012","6.2573","0.0005","90","","90","","90","","1481.5","0.2","103","2","103","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C18 H19 N O3 -","- C18 H19 N O3 -","- C72 H76 N4 O12 -","4","0.5","","Zhu, Xu; Chiba, Shunsuke","Construction of 1-pyrroline skeletons by Lewis acid-mediated conjugate addition of vinyl azides.","Chemical communications (Cambridge, England)","2016","52","12","2473","2476","10.1039/c5cc10299e","","","0.71073","MoKα","","0.1131","0.0485","","","0.1073","0.1308","","","","","","1.022","","","","has coordinates,has disorder","175868","2020-10-21","18:00:00",""
"7118255","9.5866","0.0004","19.5978","0.0006","7.6285","0.0003","90","","111.316","0.005","90","","1335.17","0.1","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(1,2-dimethyl-3-methylenecyclopropyl)(6-nitrobenzo[d][1,3]dioxol-5-yl)methanol","","- C14 H15 N O5 -","- C14 H15 N O5 -","- C56 H60 N4 O20 -","4","1","","Baumann, A. N.; Music, A.; Karaghiosoff, K.; Didier, D.","Highly diastereoselective approach to methylenecyclopropanes via boron-homologation/allylboration sequences.","Chemical communications (Cambridge, England)","2016","52","12","2529","2532","10.1039/c5cc09904h","","","0.71069","MoKα","","0.0633","0.0462","","","0.1173","0.1252","","","","","","1.07","","","","has coordinates","175869","2020-10-21","18:00:00",""
"7118256","13.9666","0.0003","12.6444","0.0002","21.018","0.0015","90","","95.457","0.007","90","","3694.9","0.3","85","2","85","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","Ru(bMepi)(PPh3)(Cl)CO","","- C45 H37 Cl N5 O P Ru -","- C45 H37 Cl N5 O P Ru -","- C180 H148 Cl4 N20 O4 P4 Ru4 -","4","1","","Tseng, Kuei-Nin T; Lin, Steve; Kampf, Jeff W.; Szymczak, Nathaniel K.","Upgrading ethanol to 1-butanol with a homogeneous air-stable ruthenium catalyst.","Chemical communications (Cambridge, England)","2016","52","14","2901","2904","10.1039/c5cc09913g","","","1.54178","CuKα","","0.0362","0.0358","","","0.0922","0.0926","","","","","","1.071","","","","has coordinates","177690","2020-10-21","18:00:00",""
"7118257","16.1333","0.0003","12.495","0.0004","16.9891","0.0005","90","","98.709","0.002","90","","3385.27","0.16","85","2","85","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","Ru(b4OMepi)(PPh3)(Cl)(CO)","","- C39 H31 Cl N5 O3 P Ru -","- C39 H31 Cl N5 O3 P Ru -","- C156 H124 Cl4 N20 O12 P4 Ru4 -","4","1","","Tseng, Kuei-Nin T; Lin, Steve; Kampf, Jeff W.; Szymczak, Nathaniel K.","Upgrading ethanol to 1-butanol with a homogeneous air-stable ruthenium catalyst.","Chemical communications (Cambridge, England)","2016","52","14","2901","2904","10.1039/c5cc09913g","","","1.54178","CuKα","","0.096","0.0841","","","0.2275","0.2443","","","","","","1.107","","","","has coordinates","177690","2020-10-21","18:00:00",""
"7118258","8.2153","0.0008","11.1662","0.001","11.5343","0.0011","85.272","0.003","84.43","0.003","77.543","0.003","1026.24","0.17","290","","290","","","","","","","","","5","P -1","-P 1","2","","","","- C38 H42 Cl6 Cu2 N6 -","- C38 H42 Cl6 Cu2 N6 -","- C38 H42 Cl6 Cu2 N6 -","1","0.5","","Nitsch, Jörn; Lacemon, Frederick; Lorbach, Andreas; Eichhorn, Antonius; Cisnetti, Federico; Steffen, Andreas","Cuprophilic interactions in highly luminescent dicopper(i)-NHC-picolyl complexes - fast phosphorescence or TADF?","Chemical communications (Cambridge, England)","2016","52","14","2932","2935","10.1039/c5cc09659f","","","0.71073","MoKα","","0.0467","0.0337","","","0.0973","0.1175","","","","","","1.161","","","","has coordinates","177691","2020-10-21","18:00:00",""
"7118259","8.1887","0.0006","10.9691","0.0007","11.3579","0.0008","85.0163","0.0015","85.1738","0.0016","77.5551","0.0015","990.21","0.12","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C38 H42 Cl6 Cu2 N6 -","- C38 H42 Cl6 Cu2 N6 -","- C38 H42 Cl6 Cu2 N6 -","1","0.5","","Nitsch, Jörn; Lacemon, Frederick; Lorbach, Andreas; Eichhorn, Antonius; Cisnetti, Federico; Steffen, Andreas","Cuprophilic interactions in highly luminescent dicopper(i)-NHC-picolyl complexes - fast phosphorescence or TADF?","Chemical communications (Cambridge, England)","2016","52","14","2932","2935","10.1039/c5cc09659f","","","0.71073","MoKα","","0.0256","0.0237","","","0.0606","0.0618","","","","","","1.04","","","","has coordinates","177691","2020-10-21","18:00:00",""
"7118260","8.3056","0.0014","11.1055","0.0019","11.873","0.002","86.315","0.006","89.284","0.006","77.72","0.006","1067.9","0.3","290","","290","","","","","","","","","5","P -1","-P 1","2","","","","- C40 H46 Cl6 Cu2 N6 -","- C40 H46 Cl6 Cu2 N6 -","- C40 H46 Cl6 Cu2 N6 -","1","0.5","","Nitsch, Jörn; Lacemon, Frederick; Lorbach, Andreas; Eichhorn, Antonius; Cisnetti, Federico; Steffen, Andreas","Cuprophilic interactions in highly luminescent dicopper(i)-NHC-picolyl complexes - fast phosphorescence or TADF?","Chemical communications (Cambridge, England)","2016","52","14","2932","2935","10.1039/c5cc09659f","","","0.71073","MoKα","","0.0823","0.0451","","","0.1163","0.1458","","","","","","1.045","","","","has coordinates","177691","2020-10-21","18:00:00",""
"7118261","8.3293","0.0013","10.9929","0.0017","11.7343","0.0018","86.079","0.005","89.732","0.006","77.869","0.005","1047.9","0.3","102","","102","","","","","","","","","5","P -1","-P 1","2","","","","- C40 H46 Cl6 Cu2 N6 -","- C40 H46 Cl6 Cu2 N6 -","- C40 H46 Cl6 Cu2 N6 -","1","0.5","","Nitsch, Jörn; Lacemon, Frederick; Lorbach, Andreas; Eichhorn, Antonius; Cisnetti, Federico; Steffen, Andreas","Cuprophilic interactions in highly luminescent dicopper(i)-NHC-picolyl complexes - fast phosphorescence or TADF?","Chemical communications (Cambridge, England)","2016","52","14","2932","2935","10.1039/c5cc09659f","","","0.71073","MoKα","","0.0491","0.0363","","","0.1043","0.1225","","","","","","1.146","","","","has coordinates","177691","2020-10-21","18:00:00",""
"7118262","8.253","0.003","10.948","0.003","11.802","0.004","85.792","0.009","89.721","0.009","78.477","0.009","1042","0.6","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C38 H40 Cl8 Cu2 N6 -","- C38 H40 Cl8 Cu2 N6 -","- C38 H40 Cl8 Cu2 N6 -","1","0.5","","Nitsch, Jörn; Lacemon, Frederick; Lorbach, Andreas; Eichhorn, Antonius; Cisnetti, Federico; Steffen, Andreas","Cuprophilic interactions in highly luminescent dicopper(i)-NHC-picolyl complexes - fast phosphorescence or TADF?","Chemical communications (Cambridge, England)","2016","52","14","2932","2935","10.1039/c5cc09659f","","","0.71073","MoKα","","0.0295","0.0256","","","0.0808","0.0952","","","","","","1.186","","","","has coordinates","177691","2020-10-21","18:00:00",""
"7118263","8.292","0.002","10.995","0.003","12.277","0.004","84.743","0.009","86.68","0.008","78.394","0.008","1090.9","0.5","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C40 H46 Cl6 Cu2 N6 O2 -","- C40 H46 Cl6 Cu2 N6 O2 -","- C40 H46 Cl6 Cu2 N6 O2 -","1","0.5","","Nitsch, Jörn; Lacemon, Frederick; Lorbach, Andreas; Eichhorn, Antonius; Cisnetti, Federico; Steffen, Andreas","Cuprophilic interactions in highly luminescent dicopper(i)-NHC-picolyl complexes - fast phosphorescence or TADF?","Chemical communications (Cambridge, England)","2016","52","14","2932","2935","10.1039/c5cc09659f","","","0.71073","MoKα","","0.041","0.0347","","","0.1015","0.1153","","","","","","1.208","","","","has coordinates","177691","2020-10-21","18:00:00",""
"7118264","9.0636","0.0013","9.6375","0.0013","20.925","0.003","90","","90","","90","","1827.8","0.4","100","","100","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C18 H18 Cl Cu N4 O2 -","- C18 H18 Cl Cu N4 O2 -","- C72 H72 Cl4 Cu4 N16 O8 -","4","1","","Nitsch, Jörn; Lacemon, Frederick; Lorbach, Andreas; Eichhorn, Antonius; Cisnetti, Federico; Steffen, Andreas","Cuprophilic interactions in highly luminescent dicopper(i)-NHC-picolyl complexes - fast phosphorescence or TADF?","Chemical communications (Cambridge, England)","2016","52","14","2932","2935","10.1039/c5cc09659f","","","0.71073","MoKα","","0.0246","0.0228","","","0.0597","0.0605","","","","","","1.061","","","","has coordinates","206958","2020-10-21","18:00:00",""
"7118265","9.5545","0.0005","8.8034","0.0005","23.9329","0.0012","90","","96.6239","0.0016","90","","1999.61","0.18","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C21 H25 Cl Cu N3 -","- C21 H25 Cl Cu N3 -","- C84 H100 Cl4 Cu4 N12 -","4","1","","Nitsch, Jörn; Lacemon, Frederick; Lorbach, Andreas; Eichhorn, Antonius; Cisnetti, Federico; Steffen, Andreas","Cuprophilic interactions in highly luminescent dicopper(i)-NHC-picolyl complexes - fast phosphorescence or TADF?","Chemical communications (Cambridge, England)","2016","52","14","2932","2935","10.1039/c5cc09659f","","","0.71073","MoKα","","0.0343","0.0296","","","0.072","0.0744","","","","","","1.058","","","","has coordinates","177691","2020-10-21","18:00:00",""
"7118266","10.0169","0.0004","15.969","0.0006","10.7209","0.0004","90","","95.056","0.001","90","","1708.24","0.11","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C36 H38 Cl2 Cu2 N6 -","- C36 H38 Cl2 Cu2 N6 -","- C72 H76 Cl4 Cu4 N12 -","2","0.5","","Nitsch, Jörn; Lacemon, Frederick; Lorbach, Andreas; Eichhorn, Antonius; Cisnetti, Federico; Steffen, Andreas","Cuprophilic interactions in highly luminescent dicopper(i)-NHC-picolyl complexes - fast phosphorescence or TADF?","Chemical communications (Cambridge, England)","2016","52","14","2932","2935","10.1039/c5cc09659f","","","0.71073","MoKα","","0.023","0.021","","","0.0532","0.0541","","","","","","1.043","","","","has coordinates","177691","2020-10-21","18:00:00",""
"7118267","10.7137","0.0003","38.3822","0.0015","14.7478","0.0004","90","","90.909","0.001","90","","6063.8","0.3","150","2","150","2","","","","","","","","9","P 1 21/n 1","-P 2yn","14","","","","- C43.5 H37 Al Au Cl F36 N2 O4 P4 -","- C43.5 H37 Al Au Cl F36 N2 O4 P4 -","- C174 H148 Al4 Au4 Cl4 F144 N8 O16 P16 -","4","1","","Borger, Jaap E.; Bakker, Martijn S.; Ehlers, Andreas W.; Lutz, Martin; Chris Slootweg, J.; Lammertsma, Koop","Functionalization of P4 in the coordination sphere of coinage metal cations.","Chemical communications (Cambridge, England)","2016","52","16","3284","3287","10.1039/c5cc10037b","","","0.71073","MoKα","","0.054","0.0485","","","0.121","0.123","","","","","","1.184","","","","has coordinates,has disorder","177667","2020-10-21","18:00:00",""
"7118268","39.9091","0.0008","25.1072","0.0006","22.5843","0.0004","90","","100.38","0.001","90","","22259.3","0.8","150","2","150","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C94 H97 Al Au2 F36 N4 O4 P4 -","- C94 H97 Al Au2 F36 N4 O4 P4 -","- C752 H776 Al8 Au16 F288 N32 O32 P32 -","8","1","","Borger, Jaap E.; Bakker, Martijn S.; Ehlers, Andreas W.; Lutz, Martin; Chris Slootweg, J.; Lammertsma, Koop","Functionalization of P4 in the coordination sphere of coinage metal cations.","Chemical communications (Cambridge, England)","2016","52","16","3284","3287","10.1039/c5cc10037b","","","0.71073","MoKα","","0.0323","0.0272","","","0.069","0.0719","","","","","","1.034","","","","has coordinates,has disorder","177667","2020-10-21","18:00:00",""
"7118269","8.8669","0.0005","14.7074","0.0007","17.9059","0.0009","90","","90","","90","","2335.1","0.2","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C27 H24 Br N O3 -","- C27 H24 Br N O3 -","- C108 H96 Br4 N4 O12 -","4","1","","Li, Mingfeng; Guo, Xin; Jin, Weifeng; Zheng, Qing; Liu, Shunying; Hu, Wenhao","An enantioselective three-component reaction of diazoacetates with indoles and enals by iridium/iminium co-catalysis.","Chemical communications (Cambridge, England)","2016","52","13","2736","2739","10.1039/c5cc09918h","","","0.71073","MoKα","","0.0728","0.0397","","","0.0832","0.0949","","","","","","1.012","","","","has coordinates","177637","2020-10-21","18:00:00",""
"7118270","29.017","0.004","11.4978","0.0017","12.6967","0.0016","90","","111.472","0.008","90","","3942","1","90","0.5","90","0.5","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C18 H32 O3 Si -","- C18 H32 O3 Si -","- C144 H256 O24 Si8 -","8","1","","Stepherson, Jacob R.; Fronczek, Frank R.; Kartika, Rendy","An expedient synthesis of functionalized 1,4-diketone-derived compounds via silyloxyallyl cation intermediates.","Chemical communications (Cambridge, England)","2016","52","11","2300","2303","10.1039/c5cc09763k","","","0.71073","MoKα","","0.1345","0.0686","","","0.1192","0.1452","","","","","","1.067","","","","has coordinates","175887","2020-10-21","18:00:00",""
"7118271","9.4533","0.0019","18.614","0.004","19.976","0.004","68.27","0.03","82.61","0.03","82.18","0.03","3223.2","1.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C52 H44 N2 O20 Zn3 -","- C52 H44 N2 O20 Zn3 -","- C104 H88 N4 O40 Zn6 -","2","1","","Chakraborty, Anindita; Bhattacharyya, Sohini; Hazra, Arpan; Ghosh, Ashta Chandra; Maji, Tapas Kumar","Post-synthetic metalation in an anionic MOF for efficient catalytic activity and removal of heavy metal ions from aqueous solution.","Chemical communications (Cambridge, England)","2016","52","13","2831","2834","10.1039/c5cc09814a","","","0.71073","MoKα","","0.166","0.1105","","","0.2956","0.3304","","","","","","1.06","","","","has coordinates,has disorder","177638","2020-10-21","18:00:00",""
"7118272","13.1669","0.0001","12.7572","0.0001","20.0394","0.0002","90","","90","","90","","3366.07","0.05","150","2","150","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C15 H26 Cl N W -","- C15 H26 Cl N W -","- C120 H208 Cl8 N8 W8 -","8","2","","Wright, Christopher M. R.; Turner, Zoë R; Buffet, Jean-Charles; O'Hare, Dermot","Tungsten imido catalysts for selective ethylene dimerisation.","Chemical communications (Cambridge, England)","2016","52","13","2850","2853","10.1039/c5cc09386d","","","0.71073","MoKα","","0.0354","0.0298","","","0.0694","0.0728","","","","","","0.963","","","","has coordinates","177639","2020-10-21","18:00:00",""
"7118273","8.5941","0.0001","14.1186","0.0002","17.4478","0.0003","95.806","0.001","98.562","0.001","97.484","0.001","2059.88","0.05","150","2","150","","","","","","","","","6","P -1","-P 1","2","","","","- C16 H25 Cl4 N O W -","- C16 H25 Cl4 N O W -","- C64 H100 Cl16 N4 O4 W4 -","4","2","","Wright, Christopher M. R.; Turner, Zoë R; Buffet, Jean-Charles; O'Hare, Dermot","Tungsten imido catalysts for selective ethylene dimerisation.","Chemical communications (Cambridge, England)","2016","52","13","2850","2853","10.1039/c5cc09386d","","","0.71073","MoKα","","0.0371","0.0287","","","0.0651","0.0688","","","","","","1.097","","","","has coordinates,has disorder","177639","2020-10-21","18:00:00",""
"7118274","11.0068","0.0012","18.8343","0.0018","19.829","0.002","72.08","0.006","89.811","0.007","77.711","0.007","3813.1","0.7","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C22 H21 N O4 -","- C22 H21 N O4 -","- C176 H168 N8 O32 -","8","4","","Xiao, Jun-An; Xia, Peng-Ju; Zhang, Xing-Yu; Chen, Xiao-Qing; Ou, Guang-Chuan; Yang, Hua","Amide-assisted intramolecular [3+2] annulation of cyclopropane ring-opening: a facile and diastereoselective access to the tricyclic core of (±)-scandine.","Chemical communications (Cambridge, England)","2016","52","10","2177","2180","10.1039/c5cc07485a","","","0.71073","MoKα","","0.1295","0.0534","","","0.1271","0.172","","","","","","0.994","","","","has coordinates","175864","2020-10-21","18:00:00",""
"7118275","9.035","0.002","13.258","0.003","16.686","0.004","90.402","0.003","103.495","0.003","105.139","0.003","1871.2","0.7","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C22 H21 N O4 -","- C22 H21 N O4 -","- C88 H84 N4 O16 -","4","2","","Xiao, Jun-An; Xia, Peng-Ju; Zhang, Xing-Yu; Chen, Xiao-Qing; Ou, Guang-Chuan; Yang, Hua","Amide-assisted intramolecular [3+2] annulation of cyclopropane ring-opening: a facile and diastereoselective access to the tricyclic core of (±)-scandine.","Chemical communications (Cambridge, England)","2016","52","10","2177","2180","10.1039/c5cc07485a","","","0.71073","MoKα","","0.0644","0.044","","","0.1098","0.1214","","","","","","1.036","","","","has coordinates","206958","2020-10-21","18:00:00",""
"7118276","44.225","0.002","11.0988","0.0005","15.9916","0.0007","90","","99.538","0.002","90","","7740.9","0.6","296","2","296.15","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C24 H27 N O3 -","- C24 H27 N O3 -","- C384 H432 N16 O48 -","16","2","","Xiao, Jun-An; Xia, Peng-Ju; Zhang, Xing-Yu; Chen, Xiao-Qing; Ou, Guang-Chuan; Yang, Hua","Amide-assisted intramolecular [3+2] annulation of cyclopropane ring-opening: a facile and diastereoselective access to the tricyclic core of (±)-scandine.","Chemical communications (Cambridge, England)","2016","52","10","2177","2180","10.1039/c5cc07485a","","","0.71073","MoKα","","0.0643","0.0416","","","0.0976","0.1081","","","","","","1.026","","","","has coordinates","175864","2020-10-21","18:00:00",""
"7118277","15.517","0.003","9.825","0.002","21.953","0.004","90","","90.05","0.03","90","","3346.8","1.1","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C90 H187 O100 -","- C90 H187 O100 -","- C90 H187 O100 -","1","0.5","","Rutenberg, R.; Leitus, G.; Fallik, E.; Poverenov, E.","Discovery of a non classic host guest complexation mode in a β-cyclodextrin/propionic acid model.","Chemical communications (Cambridge, England)","2016","52","12","2565","2568","10.1039/c5cc09676f","","","0.71073","MoKα","","0.0729","0.0669","","","0.1716","0.1768","","","","","","1.052","","","","has coordinates,has disorder","175875","2020-10-21","18:00:00",""
"7118278","5.552","0.003","17.133","0.008","13.413","0.006","90","","93.446","0.007","90","","1273.6","1.1","296","2","296.15","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C30 H25 F N2 O3 S -","- C30 H25 F N2 O3 S -","- C60 H50 F2 N4 O6 S2 -","2","1","","Sun, Xiao-Xue; Zhang, Hong-Hao; Li, Guo-Hao; Meng, Li; Shi, Feng","Diastereo- and enantioselective construction of an indole-based 2,3-dihydrobenzofuran scaffold via catalytic asymmetric [3+2] cyclizations of quinone monoimides with 3-vinylindoles.","Chemical communications (Cambridge, England)","2016","52","14","2968","2971","10.1039/c5cc09145d","","","0.71073","MoKα","","0.1099","0.0785","","","0.2076","0.2371","","","","","","1.067","","","","has coordinates","177697","2020-10-21","18:00:00",""
"7118279","6.9693","0.0002","12.1404","0.0003","19.3065","0.0005","90","","90.623","0.001","90","","1633.43","0.07","120","","120","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","5-(tert-butyl)-N,N-bis(2-hydroxyethyl)-2-hydroxyisophtalamide","","- C16 H24 N2 O5 -","- C16 H24 N2 O5 -","- C64 H96 N8 O20 -","4","1","","Eckshtain-Levi, Meital; Lavi, Ronit; Yufit, Dmitry S.; Daniel, Bareket; Green, Omer; Fleker, Ohad; Richman, Michal; Rahimipour, Shai; Gruzman, Arie; Benisvy, Laurent","A versatile water-soluble chelating and radical scavenging platform.","Chemical communications (Cambridge, England)","2016","52","11","2350","2353","10.1039/c5cc08198j","","x-ray","0.71073","MOKα","K-L~3~","0.0811","0.0661","","","0.1856","0.2006","","","","","","1.07","","","","has coordinates,has disorder","175878","2020-10-21","18:00:00",""
"7118280","20.6006","0.0006","12.5488","0.0003","27.283","0.0007","90","","92.36","0.03","90","","7047","0.4","120","","120","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","5-(tert-butyl)-N,N-bis(2-hydroxyethyl)-2-hydroxyisophtalamide terabutyl ammonium dichloromethane semi-solvate","","- C32.5 H60 Cl N3 O5 -","- C32.5 H60 Cl N3 O5 -","- C260 H480 Cl8 N24 O40 -","8","2","","Eckshtain-Levi, Meital; Lavi, Ronit; Yufit, Dmitry S.; Daniel, Bareket; Green, Omer; Fleker, Ohad; Richman, Michal; Rahimipour, Shai; Gruzman, Arie; Benisvy, Laurent","A versatile water-soluble chelating and radical scavenging platform.","Chemical communications (Cambridge, England)","2016","52","11","2350","2353","10.1039/c5cc08198j","","x-ray","0.71073","MoKα","K-L~3~","0.1505","0.0786","","","0.1518","0.1778","","","","","","1.036","","","","has coordinates","175878","2020-10-21","18:00:00",""
"7118281","13.96","0.0006","14.092","0.0006","18.3587","0.0007","89.637","0.001","83.246","0.001","85.326","0.001","3574.6","0.3","120","","120","","","","","","","","","5","P -1","-P 1","2","","","","- C32 H49 Cu N4 O11.5 -","- C32 H49 Cu N4 O11.5 -","- C128 H196 Cu4 N16 O46 -","4","2","","Eckshtain-Levi, Meital; Lavi, Ronit; Yufit, Dmitry S.; Daniel, Bareket; Green, Omer; Fleker, Ohad; Richman, Michal; Rahimipour, Shai; Gruzman, Arie; Benisvy, Laurent","A versatile water-soluble chelating and radical scavenging platform.","Chemical communications (Cambridge, England)","2016","52","11","2350","2353","10.1039/c5cc08198j","","x-ray","0.71073","MoKα","K-L~3~","0.0925","0.0555","","","0.1437","0.1682","","","","","","1.026","","","","has coordinates,has disorder","175878","2020-10-21","18:00:00",""
"7118282","14.438","0.006","15.006","0.007","16.156","0.007","104.214","0.008","92.043","0.006","94.227","0.007","3379","3","150","","150","","","","","","","","","5","P -1","-P 1","2","","","","- C151 H146 Cl6 N8 O12 -","- C151 H146 Cl6 N8 O12 -","- C151 H146 Cl6 N8 O12 -","1","0.5","","Katoono, Ryo; Suzuki, Takanori","Planar chiral desymmetrization of a two-layered cyclophane and control of dynamic helicity through the arrangement of two nonstereogenic centers.","Chemical communications (Cambridge, England)","2016","52","5","1029","1031","10.1039/c5cc09069e","","","0.71075","MoKα","","","0.0794","","","","0.23","","","","","","1.269","","","","has coordinates","173511","2020-10-21","18:00:00",""
"7118283","18.7438","0.0012","5.9398","0.0004","19.1345","0.0014","90","","92.094","0.006","90","","2128.9","0.3","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C27 H24 O3 -","- C27 H24 O3 -","- C108 H96 O12 -","4","1","","Kumar, Atul; Maurya, Shivam; Pratap, Kemant; Srivastava, Suman","Betaine mediated synthesis of annulated dihydrofurans from oxobis(methylthio)ketene acetals and N-butyl-N'-methyl ethane-1,2-diamine as precursors via NHC elimination.","Chemical communications (Cambridge, England)","2016","52","13","2795","2798","10.1039/c5cc09509c","","","0.71073","MoKα","","0.1223","0.0739","","","0.1674","0.1987","","","","","","1.022","","","","has coordinates","206489","2020-10-21","18:00:00",""
"7118284","7.5489","0.0004","7.2995","0.0003","8.3759","0.0008","90","","97.935","0.006","90","","457.12","0.05","173.05","0.1","173","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","1,1,2,2-Tetranitratoethane","1,1,2,2-Tetranitratoethane","","- C2 H2 N4 O12 -","- C2 H2 N4 O12 -","- C4 H4 N8 O24 -","2","0.5","","Fischer, Dennis; Klapötke, Thomas M; Stierstorfer, Jörg","Tetranitratoethane.","Chemical communications (Cambridge, England)","2016","52","5","916","918","10.1039/c5cc09010e","","","0.71073","MoKα","","0.0395","0.0274","","","0.0641","0.0675","","","","","","0.945","","","","has coordinates","173513","2020-10-21","18:00:00",""
"7118285","14.7481","0.0015","33.056","0.003","25.607","0.003","90","","104.153","0.002","90","","12105","2","123","2","123","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C110 H108 Dy7 N24 O39 P3 -","- C110 H108 Dy7 N24 O39 P3 -","- C440 H432 Dy28 N96 O156 P12 -","4","1","","Tian, Haiquan; Bao, Song-Song; Zheng, Li-Min","Cyclic single-molecule magnets: from the odd-numbered heptanuclear to a dimer of heptanuclear dysprosium clusters.","Chemical communications (Cambridge, England)","2016","52","11","2314","2317","10.1039/c5cc08740f","","","0.71073","MoKα","","0.1325","0.0796","","","0.18","0.2131","","","","","","1.064","","","","has coordinates","175880","2020-10-21","18:00:00",""
"7118286","22.068","0.002","25.118","0.003","44.977","0.005","90","","101.477","0.002","90","","24432","5","123","2","123","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C212 H176 Dy14 N48 O70 P10 -","- C212 H176 Dy14 N48 O70 P10 -","- C848 H704 Dy56 N192 O280 P40 -","4","0.5","","Tian, Haiquan; Bao, Song-Song; Zheng, Li-Min","Cyclic single-molecule magnets: from the odd-numbered heptanuclear to a dimer of heptanuclear dysprosium clusters.","Chemical communications (Cambridge, England)","2016","52","11","2314","2317","10.1039/c5cc08740f","","","0.71073","MoKα","","0.2588","0.1576","","","0.316","0.3752","","","","","","1.063","","","","has coordinates","175880","2020-10-21","18:00:00",""
"7118287","18.6729","0.0002","11.0827","0.0001","33.857","0.0004","90","","90","","90","","7006.58","0.13","223","2","223","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C40 H32 Br4 N2 -","- C40 H32 Br4 N2 -","- C320 H256 Br32 N16 -","8","1","","Greulich, Tobias W.; Suzuki, Naoya; Daniliuc, Constantin G.; Fukazawa, Aiko; Yamaguchi, Eriko; Studer, Armido; Yamaguchi, Shigehiro","A biphenyl containing two electron-donating and two electron-accepting moieties: a rigid and small donor-acceptor-donor ladder system.","Chemical communications (Cambridge, England)","2016","52","11","2374","2377","10.1039/c5cc03063c","","","0.71073","MoKα","","0.0724","0.0491","","","0.0785","0.0885","","","","","","1.143","","","","has coordinates","175882","2020-10-21","18:00:00",""
"7118288","28.1262","0.0005","8.5442","0.0002","20.5029","0.0004","90","","109.719","0.001","90","","4638.24","0.17","223","2","223","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C52 H42 N2 O2 P2 -","- C52 H42 N2 O2 P2 -","- C208 H168 N8 O8 P8 -","4","0.5","","Greulich, Tobias W.; Suzuki, Naoya; Daniliuc, Constantin G.; Fukazawa, Aiko; Yamaguchi, Eriko; Studer, Armido; Yamaguchi, Shigehiro","A biphenyl containing two electron-donating and two electron-accepting moieties: a rigid and small donor-acceptor-donor ladder system.","Chemical communications (Cambridge, England)","2016","52","11","2374","2377","10.1039/c5cc03063c","","","0.71073","MoKα","","0.0967","0.076","","","0.1963","0.2121","","","","","","1.075","","","","has coordinates","175882","2020-10-21","18:00:00",""
"7118289","11.0372","0.0006","12.6734","0.0007","13.6066","0.0007","87.925","0.002","67.674","0.002","66.578","0.002","1600.69","0.15","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C40 H34 Br2 N2 -","- C40 H34 Br2 N2 -","- C80 H68 Br4 N4 -","2","1","","Greulich, Tobias W.; Suzuki, Naoya; Daniliuc, Constantin G.; Fukazawa, Aiko; Yamaguchi, Eriko; Studer, Armido; Yamaguchi, Shigehiro","A biphenyl containing two electron-donating and two electron-accepting moieties: a rigid and small donor-acceptor-donor ladder system.","Chemical communications (Cambridge, England)","2016","52","11","2374","2377","10.1039/c5cc03063c","","","1.54178","CuKα","","0.0282","0.0265","","","0.0663","0.0674","","","","","","1.03","","","","has coordinates,has disorder","175882","2020-10-21","18:00:00",""
"7118290","10.7866","0.0011","32.189","0.003","10.4301","0.001","90","","99.194","0.006","90","","3574.9","0.6","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C46 H39 N2 O P -","- C46 H39 N2 O P -","- C184 H156 N8 O4 P4 -","4","1","","Greulich, Tobias W.; Suzuki, Naoya; Daniliuc, Constantin G.; Fukazawa, Aiko; Yamaguchi, Eriko; Studer, Armido; Yamaguchi, Shigehiro","A biphenyl containing two electron-donating and two electron-accepting moieties: a rigid and small donor-acceptor-donor ladder system.","Chemical communications (Cambridge, England)","2016","52","11","2374","2377","10.1039/c5cc03063c","","","1.54178","CuKα","","0.2504","0.1989","","","0.3847","0.4087","","","","","","1.218","","","","has coordinates,has disorder","175882","2020-10-21","18:00:00",""
"7118291","29.5733","0.0017","8.868","0.0006","20.0015","0.0011","90","","109.81","0.002","90","","4935.1","0.5","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C56 H66 N2 O2 P2 -","- C56 H66 N2 O2 P2 -","- C224 H264 N8 O8 P8 -","4","0.5","","Greulich, Tobias W.; Suzuki, Naoya; Daniliuc, Constantin G.; Fukazawa, Aiko; Yamaguchi, Eriko; Studer, Armido; Yamaguchi, Shigehiro","A biphenyl containing two electron-donating and two electron-accepting moieties: a rigid and small donor-acceptor-donor ladder system.","Chemical communications (Cambridge, England)","2016","52","11","2374","2377","10.1039/c5cc03063c","","","0.71073","MoKα","","0.0878","0.062","","","0.1516","0.1627","","","","","","1.035","","","","has coordinates,has disorder","175882","2020-10-21","18:00:00",""
"7118292","14.6684","0.0002","16.1503","0.0003","16.8665","0.0003","109.87","0.0015","99.8419","0.0014","95.2508","0.0014","3653.9","0.12","180","","180","","","","101","","","","","5","P -1","-P 1","2","","","","- C40 H47 Cl Hg O4 -","- C40 H47 Cl Hg O4 -","- C160 H188 Cl4 Hg4 O16 -","4","2","","Slavík, Petr; Kohout, Michal; Böhm, Stanislav; Eigner, Václav; Lhoták, Pavel","Synthesis of inherently chiral calixarenes via direct mercuration of the partial cone conformation.","Chemical communications (Cambridge, England)","2016","52","11","2366","2369","10.1039/c5cc09388k","","","1.5418","CuKα","","0.0492","0.0462","","0.0913","0.0881","0.0913","","","","","","0.9853","","","","has coordinates,has disorder","175883","2020-10-21","18:00:00",""
"7118293","36.8232","0.0011","9.7905","0.0003","26.7317","0.0009","90","","131.016","0.004","90","","7271.6","0.6","120","0.1","120","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C40 H47 Cl Hg O4 -","- C40 H47 Cl Hg O4 -","- C320 H376 Cl8 Hg8 O32 -","8","1","","Slavík, Petr; Kohout, Michal; Böhm, Stanislav; Eigner, Václav; Lhoták, Pavel","Synthesis of inherently chiral calixarenes via direct mercuration of the partial cone conformation.","Chemical communications (Cambridge, England)","2016","52","11","2366","2369","10.1039/c5cc09388k","","x-ray","1.54184","CuKα","","0.0323","0.0291","","","0.0808","0.084","","","","1.38","1.38","1.37","","","","has coordinates,has disorder","175883","2020-10-21","18:00:00",""
"7118294","10.5111","0.0004","17.7963","0.0005","19.3271","0.0007","110.342","0.003","96.592","0.003","101.212","0.002","3259.1","0.2","120","","120","","","","101","","","","","3","P -1","-P 1","2","","","","- C40 H46 O4 -","- C40 H46 O4 -","- C160 H184 O16 -","4","2","","Slavík, Petr; Kohout, Michal; Böhm, Stanislav; Eigner, Václav; Lhoták, Pavel","Synthesis of inherently chiral calixarenes via direct mercuration of the partial cone conformation.","Chemical communications (Cambridge, England)","2016","52","11","2366","2369","10.1039/c5cc09388k","","","1.5418","CuKα","","0.0541","0.0427","","0.1068","0.0951","0.1067","","","","","","0.9412","","","","has coordinates,has disorder","175883","2020-10-21","18:00:00",""
"7118295","29.189","0.003","26.117","0.003","20.479","0.002","90","","124.572","0.002","90","","12855","2","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C106 H135 Fe6 N6 O50 Tb3 -","- C106 H111 Fe6 N6 O50 Tb3 -","- C424 H444 Fe24 N24 O200 Tb12 -","4","0.5","","Kühne, Irina A; Mereacre, Valeriu; Anson, Christopher E.; Powell, Annie K.","Nine members of a family of nine-membered cyclic coordination clusters; Fe6Ln3 wheels (Ln = Gd to Lu and Y).","Chemical communications (Cambridge, England)","2016","52","5","1021","1024","10.1039/c5cc08887a","","","0.71073","MoKα","","0.0679","0.0476","","","0.1259","0.1373","","","","","","1.035","","","","has coordinates,has disorder","173518","2020-10-21","18:00:00",""
"7118296","29.2726","0.0009","26.0163","0.0008","20.8386","0.0006","90","","125.139","0.001","90","","12977.8","0.7","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C109 H143 Dy3 Fe6 N6 O51 -","- C101 H107 Dy3 Fe6 N6 O43 -","- C404 H428 Dy12 Fe24 N24 O172 -","4","0.5","","Kühne, Irina A; Mereacre, Valeriu; Anson, Christopher E.; Powell, Annie K.","Nine members of a family of nine-membered cyclic coordination clusters; Fe6Ln3 wheels (Ln = Gd to Lu and Y).","Chemical communications (Cambridge, England)","2016","52","5","1021","1024","10.1039/c5cc08887a","","","0.8","synchrotron","","0.0816","0.064","","","0.1926","0.2114","","","","","","1.549","","","","has coordinates,has disorder","173518","2020-10-21","18:00:00",""
"7118297","29.211","0.002","25.894","0.002","20.7929","0.0016","90","","124.97","0.005","90","","12888","1.8","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C109 H143 Fe6 Ho3 N6 O51 -","- C101 H111 Fe6 Ho3 N6 O43 -","- C404 H444 Fe24 Ho12 N24 O172 -","4","0.5","","Kühne, Irina A; Mereacre, Valeriu; Anson, Christopher E.; Powell, Annie K.","Nine members of a family of nine-membered cyclic coordination clusters; Fe6Ln3 wheels (Ln = Gd to Lu and Y).","Chemical communications (Cambridge, England)","2016","52","5","1021","1024","10.1039/c5cc08887a","","","0.71073","MoKα","","0.098","0.0669","","","0.1628","0.1768","","","","","","1.015","","","","has coordinates,has disorder","173518","2020-10-21","18:00:00",""
"7118298","29.069","0.004","25.935","0.004","20.683","0.003","90","","124.822","0.002","90","","12801","3","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C108 H139 Fe6 N6 O50 Tm3 -","- C108 H111 Fe6 N6 O50 Tm3 -","- C432 H444 Fe24 N24 O200 Tm12 -","4","0.5","","Kühne, Irina A; Mereacre, Valeriu; Anson, Christopher E.; Powell, Annie K.","Nine members of a family of nine-membered cyclic coordination clusters; Fe6Ln3 wheels (Ln = Gd to Lu and Y).","Chemical communications (Cambridge, England)","2016","52","5","1021","1024","10.1039/c5cc08887a","","","0.71073","MoKα","","0.0992","0.0626","","","0.1427","0.1595","","","","","","1.037","","","","has coordinates,has disorder","173518","2020-10-21","18:00:00",""
"7118299","19.6191","0.0015","22.3573","0.0017","31.163","0.003","77.52","0.002","80.86","0.002","71.74","0.001","12612.6","1.8","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C112 H151 Fe6 N6 O52 Yb3 -","- C101.375 H108.5 Fe6 N6 O41.375 Yb3 -","- C405.5 H434 Fe24 N24 O165.5 Yb12 -","4","2","","Kühne, Irina A; Mereacre, Valeriu; Anson, Christopher E.; Powell, Annie K.","Nine members of a family of nine-membered cyclic coordination clusters; Fe6Ln3 wheels (Ln = Gd to Lu and Y).","Chemical communications (Cambridge, England)","2016","52","5","1021","1024","10.1039/c5cc08887a","","","0.71073","MoKα","","0.1406","0.0848","","","0.185","0.213","","","","","","1.105","","","","has coordinates,has disorder","173518","2020-10-21","18:00:00",""
"7118300","29.1226","0.0016","25.811","0.002","20.8572","0.0012","90","","125.126","0.004","90","","12822.9","1.6","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C109 H143 Fe6 Lu3 N6 O51 -","- C101 H107 Fe6 Lu3 N6 O43 -","- C404 H428 Fe24 Lu12 N24 O172 -","4","0.5","","Kühne, Irina A; Mereacre, Valeriu; Anson, Christopher E.; Powell, Annie K.","Nine members of a family of nine-membered cyclic coordination clusters; Fe6Ln3 wheels (Ln = Gd to Lu and Y).","Chemical communications (Cambridge, England)","2016","52","5","1021","1024","10.1039/c5cc08887a","","","0.71073","MoKα","","0.0879","0.0664","","","0.1627","0.1728","","","","","","1.073","","","","has coordinates,has disorder","173518","2020-10-21","18:00:00",""
"7118301","29.172","0.004","25.835","0.003","20.884","0.003","90","","125.552","0.009","90","","12805","3","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C108 H139 Fe6 N6 O50 Y3 -","- C101 H107 Fe6 N6 O43 Y3 -","- C404 H428 Fe24 N24 O172 Y12 -","4","0.5","","Kühne, Irina A; Mereacre, Valeriu; Anson, Christopher E.; Powell, Annie K.","Nine members of a family of nine-membered cyclic coordination clusters; Fe6Ln3 wheels (Ln = Gd to Lu and Y).","Chemical communications (Cambridge, England)","2016","52","5","1021","1024","10.1039/c5cc08887a","","","0.71073","MoKα","","0.1215","0.0716","","","0.1724","0.1918","","","","","","0.965","","","","has coordinates,has disorder","173518","2020-10-21","18:00:00",""
"7118302","23.721","0.002","20.6579","0.0018","26.078","0.002","90","","100.61","0.002","90","","12560.4","1.8","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C107 H125 Cl6 Fe6 Gd3 N6 O47 -","- C107 H125 Cl6 Fe6 Gd3 N6 O47 -","- C428 H500 Cl24 Fe24 Gd12 N24 O188 -","4","1","","Kühne, Irina A; Mereacre, Valeriu; Anson, Christopher E.; Powell, Annie K.","Nine members of a family of nine-membered cyclic coordination clusters; Fe6Ln3 wheels (Ln = Gd to Lu and Y).","Chemical communications (Cambridge, England)","2016","52","5","1021","1024","10.1039/c5cc08887a","","","0.71073","MoKα","","0.0402","0.0313","","","0.0719","0.0761","","","","","","1.056","","","","has coordinates","211332","2020-10-21","18:00:00",""
"7118303","13.3984","0.0011","13.3984","0.0011","27.542","0.002","90","","90","","120","","4281.9","0.6","130","2","130","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C24 H38 B N6 S3 Zn -","- C24 H38 B N6 S3 Zn -","- C144 H228 B6 N36 S18 Zn6 -","6","0.333333","","Kreider-Mueller, Ava; Quinlivan, Patrick J.; Rauch, Michael; Owen, Jonathan S.; Parkin, Gerard","Synthesis, structure and reactivity of [Tm(Bu(t))]ZnH, a monomeric terminal zinc hydride compound in a sulfur-rich coordination environment: access to a heterobimetallic compound.","Chemical communications (Cambridge, England)","2016","52","11","2358","2361","10.1039/c5cc08915h","","","0.71073","MoKα","","0.0651","0.0373","","","0.0739","0.0799","","","","","","1.005","","","","has coordinates","211691","2020-10-21","18:00:00",""
"7118304","13.473","0.0014","13.473","0.0014","67.359","0.007","90","","90","","120","","10589","1.9","296","2","296","2","","","","","","","","6","R -3 c :H","-R 3 2""c","167","","","","- C41 H57 B N6 S3 Zn -","- C22.9998 H38.9995 B N6 S3 Zn -","- C275.998 H467.994 B12 N72 S36 Zn12 -","12","0.333333","","Kreider-Mueller, Ava; Quinlivan, Patrick J.; Rauch, Michael; Owen, Jonathan S.; Parkin, Gerard","Synthesis, structure and reactivity of [Tm(Bu(t))]ZnH, a monomeric terminal zinc hydride compound in a sulfur-rich coordination environment: access to a heterobimetallic compound.","Chemical communications (Cambridge, England)","2016","52","11","2358","2361","10.1039/c5cc08915h","","","0.71073","MoKα","","0.0496","0.0411","","","0.1274","0.1322","","","","","","1.037","","","","has coordinates,has disorder","175884","2020-10-21","18:00:00",""
"7118305","10.3568","0.0008","19.5721","0.0015","10.5278","0.0011","90","","119.424","0.001","90","","1858.8","0.3","130","2","130","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C34 H47 B N6 O2 S3 Zn -","- C34 H47 B N6 O2 S3 Zn -","- C68 H94 B2 N12 O4 S6 Zn2 -","2","1","","Kreider-Mueller, Ava; Quinlivan, Patrick J.; Rauch, Michael; Owen, Jonathan S.; Parkin, Gerard","Synthesis, structure and reactivity of [Tm(Bu(t))]ZnH, a monomeric terminal zinc hydride compound in a sulfur-rich coordination environment: access to a heterobimetallic compound.","Chemical communications (Cambridge, England)","2016","52","11","2358","2361","10.1039/c5cc08915h","","","0.71073","MoKα","","0.0694","0.0467","","","0.0785","0.0858","","","","","","1.007","","","","has coordinates","175884","2020-10-21","18:00:00",""
"7118306","10.2866","0.001","12.0489","0.0012","19.226","0.0019","92.635","0.001","93.904","0.001","114.888","0.001","2149.3","0.4","296","2","296","2","","","","","","","","8","P -1","-P 1","2","","","","- C41 H51 B Mo N6 O3 S3 Zn -","- C41 H51 B Mo N6 O3 S3 Zn -","- C82 H102 B2 Mo2 N12 O6 S6 Zn2 -","2","1","","Kreider-Mueller, Ava; Quinlivan, Patrick J.; Rauch, Michael; Owen, Jonathan S.; Parkin, Gerard","Synthesis, structure and reactivity of [Tm(Bu(t))]ZnH, a monomeric terminal zinc hydride compound in a sulfur-rich coordination environment: access to a heterobimetallic compound.","Chemical communications (Cambridge, England)","2016","52","11","2358","2361","10.1039/c5cc08915h","","","0.71073","MoKα","","0.0607","0.0398","","","0.0871","0.0965","","","","","","1.033","","","","has coordinates","175884","2020-10-21","18:00:00",""
"7118307","13.199","0.005","17.979","0.006","13.504","0.005","90","","92.785","0.005","90","","3201","2","130","2","130","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C27 H38 B F N6 S4 Zn -","- C27 H38 B F N6 S4 Zn -","- C108 H152 B4 F4 N24 S16 Zn4 -","4","1","","Kreider-Mueller, Ava; Quinlivan, Patrick J.; Rauch, Michael; Owen, Jonathan S.; Parkin, Gerard","Synthesis, structure and reactivity of [Tm(Bu(t))]ZnH, a monomeric terminal zinc hydride compound in a sulfur-rich coordination environment: access to a heterobimetallic compound.","Chemical communications (Cambridge, England)","2016","52","11","2358","2361","10.1039/c5cc08915h","","","0.71073","MoKα","","0.1651","0.068","","","0.1182","0.1524","","","","","","1.006","","","","has coordinates","175884","2020-10-21","18:00:00",""
"7118308","14.5199","0.0004","25.6135","0.0007","27.6975","0.0008","94.512","0.002","99.078","0.002","93.145","0.002","10116.6","0.5","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- Co6 H224 Li14 Na9 O250 P5 W36 -","- Co6 Na4.53 O174.9 P5 W36 -","- Co12 Na9.06 O349.8 P10 W72 -","2","1","","Martin-Sabi, Mercè; Winter, Ross Stuart; Lydon, Claire; Cameron, Jamie M.; Long, De-Liang; Cronin, Leroy","Rearrangement of {α-P2W15} to {PW6} moieties during the assembly of transition-metal-linked polyoxometalate clusters.","Chemical communications (Cambridge, England)","2016","52","5","919","921","10.1039/c5cc08486e","","","0.71073","MoKα","","0.1339","0.0492","","","0.1068","0.121","","","","","","0.802","","","","has coordinates","173520","2020-10-21","18:00:00",""
"7118309","14.0471","0.0002","21.9582","0.0004","30.7558","0.0004","87.466","0.002","88.627","0.002","86.131","0.002","9453.6","0.3","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- H120 Li12 Mn6 Na11 O198 P5 W36 -","- Mn6 Na3.8 O177.35 P5 W36 -","- Mn12 Na7.6 O354.7 P10 W72 -","2","1","","Martin-Sabi, Mercè; Winter, Ross Stuart; Lydon, Claire; Cameron, Jamie M.; Long, De-Liang; Cronin, Leroy","Rearrangement of {α-P2W15} to {PW6} moieties during the assembly of transition-metal-linked polyoxometalate clusters.","Chemical communications (Cambridge, England)","2016","52","5","919","921","10.1039/c5cc08486e","","","0.71073","MoKα","","0.1203","0.0614","","","0.1616","0.1774","","","","","","0.963","","","","has coordinates","211332","2020-10-21","18:00:00",""
"7118310","14.0535","0.0008","29.6184","0.0016","31.8218","0.0016","74.118","0.005","81.242","0.004","89.716","0.004","12582","1.2","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- H137 Li20 Mn9 Na5 O245 P8 W45 -","- Mn9 Na2.2 O203 P7.5 W45 -","- Mn18 Na4.4 O406 P15 W90 -","2","1","","Martin-Sabi, Mercè; Winter, Ross Stuart; Lydon, Claire; Cameron, Jamie M.; Long, De-Liang; Cronin, Leroy","Rearrangement of {α-P2W15} to {PW6} moieties during the assembly of transition-metal-linked polyoxometalate clusters.","Chemical communications (Cambridge, England)","2016","52","5","919","921","10.1039/c5cc08486e","","","1.54184","CuKα","","0.1857","0.0886","","","0.2096","0.2476","","","","","","0.882","","","","has coordinates","173520","2020-10-21","18:00:00",""
"7118311","16.314","0.0013","15.3614","0.0006","18.1903","0.0008","90","","92.867","0.007","90","","4552.9","0.5","101","2","101","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C68 H162 Br Cr Mo6 N5 O26 -","- C68 H157.818 Br Cr Mo6 N5 O25.409 -","- C136 H315.636 Br2 Cr2 Mo12 N10 O50.818 -","2","1","","Zhang, Jiangwei; Li, Qi; Zeng, Mengyan; Huang, Yichao; Zhang, Jin; Hao, Jian; Wei, Yongge","The proton-controlled synthesis of unprecedented diol functionalized Anderson-type POMs.","Chemical communications (Cambridge, England)","2016","52","11","2378","2381","10.1039/c5cc10071b","","","0.71073","MoKα","","0.0465","0.0359","","","0.0861","0.0933","","","","","","1.03","","","","has coordinates,has disorder","175885","2020-10-21","18:00:00",""
"7118312","13.554","0.0014","13.7899","0.001","21.0955","0.0018","86.768","0.007","88.944","0.008","63.016","0.009","3508","0.6","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C45 H109 Cr Mo6 N6 O29 -","- C45 H108.4 Cr Mo6 N6 O28.7 -","- C90 H216.8 Cr2 Mo12 N12 O57.4 -","2","1","","Zhang, Jiangwei; Li, Qi; Zeng, Mengyan; Huang, Yichao; Zhang, Jin; Hao, Jian; Wei, Yongge","The proton-controlled synthesis of unprecedented diol functionalized Anderson-type POMs.","Chemical communications (Cambridge, England)","2016","52","11","2378","2381","10.1039/c5cc10071b","","","0.7107","MoKα","","0.0442","0.0339","","","0.0614","0.0737","","","","","","1.05","","","","has coordinates","175885","2020-10-21","18:00:00",""
"7118313","13.6865","0.0008","13.7366","0.0008","21.5248","0.0009","86.727","0.004","83.692","0.004","62.304","0.006","3561.4","0.4","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C46 H108 Cr Mo6 N5 O28 -","- C46 H108 Cr Mo6 N5 O29 -","- C92 H216 Cr2 Mo12 N10 O58 -","2","1","","Zhang, Jiangwei; Li, Qi; Zeng, Mengyan; Huang, Yichao; Zhang, Jin; Hao, Jian; Wei, Yongge","The proton-controlled synthesis of unprecedented diol functionalized Anderson-type POMs.","Chemical communications (Cambridge, England)","2016","52","11","2378","2381","10.1039/c5cc10071b","","","0.71073","MoKα","","0.0489","0.0374","","","0.0755","0.0807","","","","","","1.06","","","","has coordinates,has disorder","175885","2020-10-21","18:00:00",""
"7118314","23.7911","0.0005","15.3677","0.0004","28.4337","0.0007","90","","96.193","0.002","90","","10335.1","0.4","293","2","293","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C68 H177 Br3 Cr Mo6 N6 O32.5 -","- C68 H170.5 Br3 Cr Mo6 N6 O32.5 -","- C272 H682 Br12 Cr4 Mo24 N24 O130 -","4","2","","Zhang, Jiangwei; Li, Qi; Zeng, Mengyan; Huang, Yichao; Zhang, Jin; Hao, Jian; Wei, Yongge","The proton-controlled synthesis of unprecedented diol functionalized Anderson-type POMs.","Chemical communications (Cambridge, England)","2016","52","11","2378","2381","10.1039/c5cc10071b","","","0.71073","MoKα","","0.0814","0.0472","","","0.1047","0.123","","","","","","1.019","","","","has coordinates","192220","2020-10-21","18:00:00",""
"7118315","24.0231","0.0005","15.1457","0.0004","28.6632","0.0007","90","","95.967","0.002","90","","10372.5","0.4","293","2","293","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C68 H176 Br3 Cr Mo6 N6 O31 -","- C69 H170 Br3 Cr Mo6 N6 O31 -","- C276 H680 Br12 Cr4 Mo24 N24 O124 -","4","2","","Zhang, Jiangwei; Li, Qi; Zeng, Mengyan; Huang, Yichao; Zhang, Jin; Hao, Jian; Wei, Yongge","The proton-controlled synthesis of unprecedented diol functionalized Anderson-type POMs.","Chemical communications (Cambridge, England)","2016","52","11","2378","2381","10.1039/c5cc10071b","","","0.71073","MoKα","","0.0628","0.0455","","","0.0927","0.1087","","","","","","1.018","","","","has coordinates","192220","2020-10-21","18:00:00",""
"7118316","16.5248","0.0013","15.1876","0.0006","18.3785","0.0008","90","","93.071","0.007","90","","4605.9","0.5","100","","100","","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C67 H161 Br Cr Mo6 N4 O28 -","- C67 H158 Br Cr Mo6 N4 O27 -","- C134 H316 Br2 Cr2 Mo12 N8 O54 -","2","1","","Zhang, Jiangwei; Li, Qi; Zeng, Mengyan; Huang, Yichao; Zhang, Jin; Hao, Jian; Wei, Yongge","The proton-controlled synthesis of unprecedented diol functionalized Anderson-type POMs.","Chemical communications (Cambridge, England)","2016","52","11","2378","2381","10.1039/c5cc10071b","","","0.71073","MoKα","","0.0575","0.0465","","","0.0968","0.1046","","","","","","1.034","","","","has coordinates,has disorder","175885","2020-10-21","18:00:00",""
"7118317","7","0.0007","7.1645","0.0008","13.4574","0.0016","94.095","0.004","93.302","0.004","105.223","0.004","647.52","0.12","296","2","296","2","","","","","","","","4","P 1","P 1","1","","","","- C11 H12 N6 O2 -","- C11 H12 N6 O2 -","- C22 H24 N12 O4 -","2","2","","Pathigoolla, Atchutarao; Sureshan, Kana M.","The topochemical synthesis of triazole-linked homobasic DNA.","Chemical communications (Cambridge, England)","2016","52","5","886","888","10.1039/c5cc08834h","","","0.71073","MoKα","","0.0853","0.0603","","","0.1639","0.191","","","","","","0.927","","","","has coordinates,has disorder","173522","2020-10-21","18:00:00",""
"7118318","14.965","0.005","24.298","0.008","15.796","0.005","90","","110.07","0.005","90","","5395","3","173","2","173","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C37 H53 Br3 Co2 N3 O P -","- C37 H53 Br3 Co2 N3 O P -","- C148 H212 Br12 Co8 N12 O4 P4 -","4","1","","Simler, Thomas; Braunstein, Pierre; Danopoulos, Andreas A.","Cobalt PNC(NHC) 'pincers': ligand dearomatisation, formation of dinuclear and N2 complexes and promotion of C-H activation.","Chemical communications (Cambridge, England)","2016","52","13","2717","2720","10.1039/c5cc10121b","","","0.71073","MoKα","","0.235","0.0846","","","0.2019","0.2428","","","","","","0.825","","","","has coordinates","177635","2020-10-21","18:00:00",""
"7118319","12.8384","0.0008","17.0917","0.0012","16.7231","0.0008","90","","116.587","0.004","90","","3281.5","0.4","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C33 H45 Br Co N3 P -","- C33 H45 Br Co N3 P -","- C132 H180 Br4 Co4 N12 P4 -","4","1","","Simler, Thomas; Braunstein, Pierre; Danopoulos, Andreas A.","Cobalt PNC(NHC) 'pincers': ligand dearomatisation, formation of dinuclear and N2 complexes and promotion of C-H activation.","Chemical communications (Cambridge, England)","2016","52","13","2717","2720","10.1039/c5cc10121b","","","0.71073","MoKα","","0.1037","0.0456","","","0.0747","0.0884","","","","","","1.002","","","","has coordinates","177635","2020-10-21","18:00:00",""
"7118320","14.852","0.0012","16.6741","0.0013","18.3766","0.0015","66.34","0.002","84.429","0.002","66.37","0.002","3807.8","0.5","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C66 H90 Co2 N8 P2 -","- C66 H90 Co2 N8 P2 -","- C132 H180 Co4 N16 P4 -","2","1","","Simler, Thomas; Braunstein, Pierre; Danopoulos, Andreas A.","Cobalt PNC(NHC) 'pincers': ligand dearomatisation, formation of dinuclear and N2 complexes and promotion of C-H activation.","Chemical communications (Cambridge, England)","2016","52","13","2717","2720","10.1039/c5cc10121b","","","0.71073","MoKα","","0.167","0.0796","","","0.1847","0.2122","","","","","","0.882","","","","has coordinates","177635","2020-10-21","18:00:00",""
"7118321","25.681","0.009","15.695","0.005","18.634","0.007","90","","113.151","0.008","90","","6906","4","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C33 H45 Co N5 P -","- C33 H45 Co N5 P -","- C264 H360 Co8 N40 P8 -","8","1","","Simler, Thomas; Braunstein, Pierre; Danopoulos, Andreas A.","Cobalt PNC(NHC) 'pincers': ligand dearomatisation, formation of dinuclear and N2 complexes and promotion of C-H activation.","Chemical communications (Cambridge, England)","2016","52","13","2717","2720","10.1039/c5cc10121b","","","0.71073","MoKα","","0.1186","0.0569","","","0.123","0.1398","","","","","","0.982","","","","has coordinates","177635","2020-10-21","18:00:00",""
"7118322","8.154","0.0016","11.633","0.002","12.467","0.003","67.55","0.03","76.11","0.03","76.47","0.03","1047.6","0.4","170","","170","","","","","","","","","5","P -1","-P 1","2","","","","- C9 H9 I N2 O3 -","- C9 H9 I N2 O3 -","- C36 H36 I4 N8 O12 -","4","2","","Puttreddy, Rakesh; Jurček, Ondřej; Bhowmik, Sandip; Mäkelä, Toni; Rissanen, Kari","Very strong (-)N-X(+)(-)O-N(+) halogen bonds.","Chemical communications (Cambridge, England)","2016","52","11","2338","2341","10.1039/c5cc09487a","","","0.71073","MoKα","","0.021","0.0187","","","0.0415","0.0425","","","","","","1.043","","","","has coordinates","175886","2020-10-21","18:00:00",""
"7118323","9.7294","0.0019","11.427","0.002","11.566","0.002","90.02","0.03","110.88","0.03","93.06","0.03","1199.5","0.4","170","","170","","","","","","","","","5","P -1","-P 1","2","","","","- C10 H12 I N2 O3.5 -","- C10 H12 I N2 O3.5 -","- C40 H48 I4 N8 O14 -","4","2","","Puttreddy, Rakesh; Jurček, Ondřej; Bhowmik, Sandip; Mäkelä, Toni; Rissanen, Kari","Very strong (-)N-X(+)(-)O-N(+) halogen bonds.","Chemical communications (Cambridge, England)","2016","52","11","2338","2341","10.1039/c5cc09487a","","","0.71073","MoKα","","0.0273","0.0229","","","0.0479","0.0494","","","","","","1.044","","","","has coordinates","192220","2020-10-21","18:00:00",""
"7118324","5.7923","0.0012","8.4216","0.0017","29.71","0.006","90","","90","","90","","1449.3","0.5","170","","170","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C15 H13 I N2 O3 -","- C15 H13 I N2 O3 -","- C60 H52 I4 N8 O12 -","4","1","","Puttreddy, Rakesh; Jurček, Ondřej; Bhowmik, Sandip; Mäkelä, Toni; Rissanen, Kari","Very strong (-)N-X(+)(-)O-N(+) halogen bonds.","Chemical communications (Cambridge, England)","2016","52","11","2338","2341","10.1039/c5cc09487a","","","0.71073","MoKα","","0.0396","0.0383","","","0.1368","0.1375","","","","","","1.163","","","","has coordinates","175886","2020-10-21","18:00:00",""
"7118325","7.137","0.0014","22.707","0.005","8.8248","0.0018","90","","90.68","0.03","90","","1430","0.5","170","","170","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C12 H9 I N2 O4 S -","- C12 H9 I N2 O4 S -","- C48 H36 I4 N8 O16 S4 -","4","1","","Puttreddy, Rakesh; Jurček, Ondřej; Bhowmik, Sandip; Mäkelä, Toni; Rissanen, Kari","Very strong (-)N-X(+)(-)O-N(+) halogen bonds.","Chemical communications (Cambridge, England)","2016","52","11","2338","2341","10.1039/c5cc09487a","","","0.71073","MoKα","","0.0891","0.0614","","","0.1111","0.1217","","","","","","1.048","","","","has coordinates","175886","2020-10-21","18:00:00",""
"7118326","7.2705","0.0015","8.7631","0.0018","12.765","0.003","109.12","0.03","99.97","0.03","90.54","0.03","754.9","0.3","170","","170","","","","","","","","","6","P -1","-P 1","2","","","","- C13 H11 I N2 O4 S -","- C13 H11 I N2 O4 S -","- C26 H22 I2 N4 O8 S2 -","2","1","","Puttreddy, Rakesh; Jurček, Ondřej; Bhowmik, Sandip; Mäkelä, Toni; Rissanen, Kari","Very strong (-)N-X(+)(-)O-N(+) halogen bonds.","Chemical communications (Cambridge, England)","2016","52","11","2338","2341","10.1039/c5cc09487a","","","0.71073","MoKα","","0.0307","0.0264","","","0.0593","0.0606","","","","","","1.063","","","","has coordinates","175886","2020-10-21","18:00:00",""
"7118327","12.277","0.003","10.283","0.002","14.972","0.003","90","","106.71","0.03","90","","1810.3","0.7","170","","170","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C18 H13 I N2 O4 S -","- C18 H13 I N2 O4 S -","- C72 H52 I4 N8 O16 S4 -","4","1","","Puttreddy, Rakesh; Jurček, Ondřej; Bhowmik, Sandip; Mäkelä, Toni; Rissanen, Kari","Very strong (-)N-X(+)(-)O-N(+) halogen bonds.","Chemical communications (Cambridge, England)","2016","52","11","2338","2341","10.1039/c5cc09487a","","","0.71073","MoKα","","0.0785","0.0392","","","0.0637","0.0734","","","","","","1.01","","","","has coordinates","175886","2020-10-21","18:00:00",""
"7118328","6.8571","0.0004","8.4482","0.0005","11.3117","0.0006","98.755","0.005","106.766","0.005","93.582","0.005","616.19","0.06","123","","123","","","","","","","","","5","P -1","-P 1","2","","","","- C12 H10 N2 O4 S -","- C12 H10 N2 O4 S -","- C24 H20 N4 O8 S2 -","2","1","","Puttreddy, Rakesh; Jurček, Ondřej; Bhowmik, Sandip; Mäkelä, Toni; Rissanen, Kari","Very strong (-)N-X(+)(-)O-N(+) halogen bonds.","Chemical communications (Cambridge, England)","2016","52","11","2338","2341","10.1039/c5cc09487a","","x-ray","0.71073","MoKα","","0.0434","0.0374","","","0.0969","0.1015","","","","","","1.163","","","","has coordinates","175886","2020-10-21","18:00:00",""
"7118329","14.1204","0.001","6.8482","0.0004","14.7897","0.0013","90","","112.86","0.01","90","","1317.83","0.19","120","","120","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C13 H12 N2 O4 S -","- C13 H12 N2 O4 S -","- C52 H48 N8 O16 S4 -","4","1","","Puttreddy, Rakesh; Jurček, Ondřej; Bhowmik, Sandip; Mäkelä, Toni; Rissanen, Kari","Very strong (-)N-X(+)(-)O-N(+) halogen bonds.","Chemical communications (Cambridge, England)","2016","52","11","2338","2341","10.1039/c5cc09487a","","x-ray","0.71073","MoKα","","0.0779","0.0527","","","0.1302","0.1483","","","","","","1.067","","","","has coordinates","175886","2020-10-21","18:00:00",""
"7118330","5.79637","0.00017","13.3106","0.0003","25.2934","0.0006","90","","90","","90","","1951.47","0.09","123","0.1","123","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C21 H20 Cl N O6 -","- C21 H20 Cl N O6 -","- C84 H80 Cl4 N4 O24 -","4","1","","Shu, Tao; Ni, Qijian; Song, Xiaoxiao; Zhao, Kun; Wu, Tianyu; Puttreddy, Rakesh; Rissanen, Kari; Enders, Dieter","Asymmetric synthesis of cyclopentanes bearing four contiguous stereocenters via an NHC-catalyzed Michael/Michael/esterification domino reaction.","Chemical communications (Cambridge, England)","2016","52","12","2609","2611","10.1039/c5cc09581f","","x-ray","1.54184","CuKα","","0.037","0.0295","","","0.0659","0.0697","","","","","","1.061","","","","has coordinates","175871","2020-10-21","18:00:00",""
"7118331","8.6216","0.0013","9.7362","0.0015","13.104","0.002","91.924","0.002","104.975","0.002","108.523","0.002","999.5","0.3","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C21 H23 N O7 -","- C21 H23 N O7 -","- C42 H46 N2 O14 -","2","1","","Gao, Qian; Hao, Wen-Juan; Liu, Feng; Tu, Shu-Jiang; Wang, Shu-Liang; Li, Guigen; Jiang, Bo","Unexpected isocyanide-based three-component bicyclization for the stereoselective synthesis of densely functionalized pyrano[3,4-c]pyrroles.","Chemical communications (Cambridge, England)","2016","52","5","900","903","10.1039/c5cc08071a","","","0.71073","MoKα","","0.0602","0.0468","","","0.121","0.1311","","","","","","1.03","","","","has coordinates","173526","2020-10-21","18:00:00",""
"7118332","12.0045","0.0011","10.8025","0.0009","11.0878","0.001","90","","90","","90","","1437.9","0.2","173","2","173","2","","","","","","","","4","P c c n","-P 2ab 2ac","56","","","","- C16 H12 N6 S -","- C16 H12 N6 S -","- C64 H48 N24 S4 -","4","0.5","","Wang, Ying; Yi, Jin-Min; Zhang, Meng-Yuan; Xu, Ping; Zhao, Xiao-Jun","I2-induced SC-SC transformation within two-dimensional Zn(ii)-triazole framework: an ideal detector of cyano-containing molecules.","Chemical communications (Cambridge, England)","2016","52","15","3099","3102","10.1039/c5cc09279e","","","0.71073","MoKα","","0.0455","0.0395","","","0.1027","0.108","","","","","","1.045","","","","has coordinates","177658","2020-10-21","18:00:00",""
"7118333","9.0152","0.0005","12.4589","0.0006","13.9479","0.0007","105.422","0.001","91.756","0.001","94.9","0.001","1502.37","0.13","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C28.5 H30 N7.5 O6.5 S Zn -","- C28.5 H26 N7.5 O6.5 S Zn -","- C57 H52 N15 O13 S2 Zn2 -","2","1","","Wang, Ying; Yi, Jin-Min; Zhang, Meng-Yuan; Xu, Ping; Zhao, Xiao-Jun","I2-induced SC-SC transformation within two-dimensional Zn(ii)-triazole framework: an ideal detector of cyano-containing molecules.","Chemical communications (Cambridge, England)","2016","52","15","3099","3102","10.1039/c5cc09279e","","","0.71073","MoKα","","0.0464","0.0399","","","0.1013","0.1054","","","","","","1.047","","","","has coordinates,has disorder","177658","2020-10-21","18:00:00",""
"7118334","8.94","0.002","15.624","0.004","18.684","0.006","65.286","0.003","84.924","0.005","74.295","0.004","2281.3","1.1","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C44 H33 I N12 O7.5 S2 Zn2 -","- C44 H32 I N12 O7.5 S2 Zn2 -","- C88 H64 I2 N24 O15 S4 Zn4 -","2","1","","Wang, Ying; Yi, Jin-Min; Zhang, Meng-Yuan; Xu, Ping; Zhao, Xiao-Jun","I2-induced SC-SC transformation within two-dimensional Zn(ii)-triazole framework: an ideal detector of cyano-containing molecules.","Chemical communications (Cambridge, England)","2016","52","15","3099","3102","10.1039/c5cc09279e","","","0.71073","MoKα","","0.1184","0.1091","","","0.4248","0.4389","","","","","","1.081","","","","has coordinates","177658","2020-10-21","18:00:00",""
"7118335","17.8685","0.0002","23.0557","0.0002","18.5326","0.0002","90","","90","","90","","7634.89","0.14","173","2","173","2","","","","","","","","5","P n n a","-P 2a 2bc","52","","7?AcOH","","- C70 H68 N4 O7 Zn2 -","- C70 H68 N4 O7 Zn2 -","- C280 H272 N16 O28 Zn8 -","4","0.5","","He, Shixiong; Wang, Fuli; Tong, Wah-Leung; Yiu, Shek-Man; Chan, Michael C. W.","Topologically diverse shape-persistent bis-(Zn-salphen) catalysts: efficient cyclic carbonate formation under mild conditions.","Chemical communications (Cambridge, England)","2016","52","5","1017","1020","10.1039/c5cc08794e","","","1.54178","CuKα","","0.0678","0.0537","","","0.1558","0.1671","","","","","","1.043","","","","has coordinates,has disorder","173528","2020-10-21","18:00:00",""
"7118336","13.163","0.0009","9.4788","0.0007","25.5497","0.0018","90","","96.7832","0.001","90","","3165.5","0.4","90","2","90","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C39 H36 N2 O S -","- C39 H36 N2 O S -","- C156 H144 N8 O4 S4 -","4","1","","Ikezawa, Takahiro; Mutoh, Katsuya; Kobayashi, Yoichi; Abe, Jiro","Thiophene-substituted phenoxyl-imidazolyl radical complexes with high photosensitivity.","Chemical communications (Cambridge, England)","2016","52","12","2465","2468","10.1039/c5cc10133f","","","0.71073","MoKα","","0.0556","0.0388","","","0.0894","0.0977","","","","","","1.018","","","","has coordinates","175872","2020-10-21","18:00:00",""
"7118337","11.58","0.006","14.496","0.008","18.428","0.01","67.834","0.007","89.295","0.008","70.014","0.008","2668","2","90","","90","","","","","","","","","5","P -1","-P 1","2","","","","- C33 H32 N2 O S -","- C33 H32 N2 O S -","- C132 H128 N8 O4 S4 -","4","2","","Ikezawa, Takahiro; Mutoh, Katsuya; Kobayashi, Yoichi; Abe, Jiro","Thiophene-substituted phenoxyl-imidazolyl radical complexes with high photosensitivity.","Chemical communications (Cambridge, England)","2016","52","12","2465","2468","10.1039/c5cc10133f","","","0.71073","MoKα","","0.1298","0.0873","","","0.227","0.2555","","","","","","1.011","","","","has coordinates","175872","2020-10-21","18:00:00",""
"7118338","12.934","0.0008","9.3801","0.0005","26.147","0.0015","90","","97.1867","0.0008","90","","3147.3","0.3","90","2","90","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C39 H36 N2 O S -","- C39 H36 N2 O S -","- C156 H144 N8 O4 S4 -","4","1","","Ikezawa, Takahiro; Mutoh, Katsuya; Kobayashi, Yoichi; Abe, Jiro","Thiophene-substituted phenoxyl-imidazolyl radical complexes with high photosensitivity.","Chemical communications (Cambridge, England)","2016","52","12","2465","2468","10.1039/c5cc10133f","","","0.71073","MoKα","","0.0465","0.0361","","","0.0809","0.0862","","","","","","0.962","","","","has coordinates","175872","2020-10-21","18:00:00",""
"7118339","19.5","0.012","6.929","0.004","26.031","0.016","90","","90","","90","","3517","4","273","2","273","2","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- C24 H16 N2 -","- C24 H16 N2 -","- C192 H128 N16 -","8","2","","Deng, Jian; Xu, Yuanxiang; Liu, Liqun; Feng, Cunfang; Tang, Jia; Gao, Yu; Wang, Yan; Yang, Bing; Lu, Ping; Yang, Wensheng; Ma, Yuguang","An ambipolar organic field-effect transistor based on an AIE-active single crystal with a high mobility level of 2.0 cm2V−1s−1","Chem. Commun.","2016","","","","","10.1039/C5CC09702A","","","0.71073","MoKα","","0.1099","0.0948","","","0.2384","0.2529","","","","","","1.048","","","","has coordinates","182221","2020-10-21","18:00:00",""
"7118340","10.6073","0.0004","9.8229","0.0004","14.4413","0.0006","90","","107.283","0.002","90","","1436.76","0.1","296","2","296","2","","","","","","","Synthezied","5","P 1 21 1","P 2yb","4","spirooxindole dihydropyranone","tert-butyl (S)-(2-(1-benzyl-5-bromo-4'-methyl-2,6'-dioxo-3',6'-dihydrospiro[indoline-3,2'-pyran]-5'-yl)phenyl)carbamate","","- C31 H29 Br N2 O5 -","- C31 H29 Br N2 O5 -","- C62 H58 Br2 N4 O10 -","2","1","","Han, Jeng-Liang; Chang, Chia-Hao","An asymmetric assembly of spirooxindole dihydropyranones through a direct enantioselective organocatalytic vinylogous aldol-cyclization cascade reaction of 3-alkylidene oxindoles with isatins.","Chemical communications (Cambridge, England)","2016","52","11","2322","2325","10.1039/c5cc08883f","","","0.71073","MoKα","","0.049","0.0358","","","0.0903","0.0956","","","","","","1.049","","","","has coordinates","175889","2020-10-21","18:00:00",""
"7118341","5.6982","0.0003","18.9135","0.001","13.0889","0.0007","90","","95.097","0.005","90","","1405.05","0.13","293","2","293","2","","","","","","","","3","P 1 c 1","P -2yc","7","","","","- C16 H22 O -","- C16 H22 O -","- C64 H88 O4 -","4","2","","Pan, Jin-Long; Chen, Tao; Zhang, Zhi-Qiang; Li, Yi-Fan; Zhang, Xiao-Ming; Zhang, Fu-Min","A Cu-mediated one-pot Michael addition/α-arylation strategy using a diaryliodonium salt: a direct and efficient approach to α-aryl-β-substituted cyclic ketone scaffolds.","Chemical communications (Cambridge, England)","2016","52","11","2382","2385","10.1039/c5cc09837h","","","1.54184","CuKα","","0.0608","0.0529","","","0.1454","0.1596","","","","","","1.038","","","","has coordinates","276353","2022-06-28","16:43:03",""
"7118342","11.473","0.004","13.299","0.005","13.766","0.005","85.201","0.005","86.909","0.005","86.437","0.005","2086.5","1.3","296.15","","296.15","","","","","","","","","6","P -1","-P 1","2","","","","- C42 H58 N2 O4.5 P Si -","- C42 H58 N2 O4.5 P Si -","- C84 H116 N4 O9 P2 Si2 -","2","1","","Lin, Chao-Yang; Ma, Peng-Ju; Sun, Zhao; Lu, Chong-Dao; Xu, Yan-Jun","Carbamoyl anion-initiated cascade reaction for stereoselective synthesis of substituted α-hydroxy-β-amino amides.","Chemical communications (Cambridge, England)","2016","52","5","912","915","10.1039/c5cc08118a","","","0.71073","MoKα","","0.1755","0.075","","","0.1911","0.2528","","","","","","0.911","","","","has coordinates","173533","2020-10-21","18:00:00",""
"7118343","9.891","0.013","16.14","0.02","16.21","0.02","90","","90","","90","","2588","6","296","2","296.15","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C24 H31 Br N2 O3 S -","- C24 H31 Br N2 O3 S -","- C96 H124 Br4 N8 O12 S4 -","4","1","","Lin, Chao-Yang; Ma, Peng-Ju; Sun, Zhao; Lu, Chong-Dao; Xu, Yan-Jun","Carbamoyl anion-initiated cascade reaction for stereoselective synthesis of substituted α-hydroxy-β-amino amides.","Chemical communications (Cambridge, England)","2016","52","5","912","915","10.1039/c5cc08118a","","","0.71073","MoKα","","0.186","0.0672","","","0.1683","0.226","","","","","","0.906","","","","has coordinates","173533","2020-10-21","18:00:00",""
"7118344","23.1209","0.0012","23.1209","0.0012","27.281","0.002","90","","90","","120","","12629.9","1.3","100","2","99.99","","","","","","","","","7","R -3","-R 3","148","","","","- C184 H162 Co6 Mn6 N24 O32 S8 -","- C168 H120 Co6 Mn6 N24 O24 -","- C504 H360 Co18 Mn18 N72 O72 -","3","","","Jeon, Ie-Rang; David Harris, T.","An S = 12 semiquinoid radical-bridged Mn6 wheel complex assembled from an asymmetric redox-active bridging ligand.","Chemical communications (Cambridge, England)","2016","52","5","1006","1008","10.1039/c5cc08482b","","","1.54178","CuKα","","0.1767","0.0905","","","0.2452","0.2923","","","","","","0.843","","","","has coordinates,has disorder","173534","2020-10-21","18:00:00",""
"7118345","11.3578","0.0019","9.9307","0.0013","22.539","0.005","90","","102.838","0.013","90","","2478.6","0.8","100","","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","PKM-VAN-1","","- C29 H33 N2 P -","- C29 H33 N2 P -","- C116 H132 N8 P4 -","4","1","","Majhi, Paresh Kumar; Chow, Keith C. F.; Hsieh, Tom H. H.; Bowes, Eric G.; Schnakenburg, Gregor; Kennepohl, Pierre; Streubel, Rainer; Gates, Derek P.","Even the normal is abnormal: N-heterocyclic carbene C(2) binding to a phosphaalkene without breaking the P[double bond, length as m-dash]C π-bond.","Chemical communications (Cambridge, England)","2016","52","5","998","1001","10.1039/c5cc08181e","","","0.71073","MoKα","","0.0909","0.0462","","","0.1023","0.1218","","","","","","1.006","","","","has coordinates","173535","2020-10-21","18:00:00",""
"7118346","25.984","0.002","9.734","0.001","21.55","0.002","90","","108.32","0.01","90","","5174.3","0.9","123","2","123","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C58 H72 B2 N4 O P2 -","- C58 H72 B2 N4 O P2 -","- C232 H288 B8 N16 O4 P8 -","4","0.5","","Majhi, Paresh Kumar; Chow, Keith C. F.; Hsieh, Tom H. H.; Bowes, Eric G.; Schnakenburg, Gregor; Kennepohl, Pierre; Streubel, Rainer; Gates, Derek P.","Even the normal is abnormal: N-heterocyclic carbene C(2) binding to a phosphaalkene without breaking the P[double bond, length as m-dash]C π-bond.","Chemical communications (Cambridge, England)","2016","52","5","998","1001","10.1039/c5cc08181e","","","0.71073","MoKα","","0.2228","0.0776","","","0.1453","0.1936","","","","","","0.754","","","","has coordinates,has disorder","173535","2020-10-21","18:00:00",""
"7118347","9.223","0.0001","7.1694","0.0001","13.3259","0.0001","90","","92.731","0.001","90","","880.153","0.017","100","2","100","2","","","","","","","synthesis as described","4","P 1 21 1","P 2yb","4","","dimethyl (3S,5S)-3-(2,6-dimethoxyphenyl)-5-methylpyrrolidine- 2,2-dicarboxylate","","- C17 H23 N O6 -","- C17 H23 N O6 -","- C34 H46 N2 O12 -","2","1","","Riaño, Iker; Díaz, Estibaliz; Uria, Uxue; Reyes, Efraím; Carrillo, Luisa; Vicario, Jose L.","Organocatalytic enantio- and diastereoselective synthesis of 3,5-disubstituted prolines.","Chemical communications (Cambridge, England)","2016","52","11","2330","2333","10.1039/c5cc09329e","","x-ray","1.54184","CuKα","","0.0297","0.0293","","","0.0769","0.0775","","","","","","1.033","","","","has coordinates","175891","2020-10-21","18:00:00",""
"7118348","27.0902","0.0013","27.0902","0.0013","30.1891","0.0016","90","","90","","120","","19186.9","1.7","200","2","200","2","","","","","","","","5","P -3 1 c","-P 3 2c","163","","","","- C38 H70 Na3 O32 S3 -","- C38 H29 Na2.33333 O20 S3 -","- C456 H348 Na28 O240 S36 -","12","1","","Garnett, Graham A. E.; Daze, Kevin D.; Peña Diaz, Jorge A; Fagen, Noah; Shaurya, Alok; Ma, Manuel C. F.; Collins, Mary S.; Johnson, Darren W.; Zakharov, Lev N.; Hof, Fraser","Attraction by repulsion: compounds with like charges undergo self-assembly in water that improves in high salt and persists in real biological fluids.","Chemical communications (Cambridge, England)","2016","52","13","2768","2771","10.1039/c5cc10527g","","","1.54178","CuKα","","0.0989","0.0794","","","0.2433","0.267","","","","","","1.11","","","","has coordinates","177642","2020-10-21","18:00:00",""
"7118349","12.959","0.0002","7.94026","0.00011","14.0403","0.0002","90","","116.595","0.002","90","","1291.86","0.04","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","(R)-5,7-dimethoxy-2,2,4-trimethyl-4-(1-tosyl-1H-indol-3-yl)-1,2,3,4-tetrahydroquinoline","","- C29 H32 N2 O4 S -","- C29 H32 N2 O4 S -","- C58 H64 N4 O8 S2 -","2","1","","Li, Guangxun; Liu, Hongxin; Wang, Yingwei; Zhang, Shiqi; Lai, Shujun; Tang, Ling; Zhao, Jinzhong; Tang, Zhuo","The catalytic enantioselective synthesis of tetrahydroquinolines containing all-carbon quaternary stereocenters via the formation of aza-ortho-xylylene with 1,2-dihydroquinoline as a precursor.","Chemical communications (Cambridge, England)","2016","52","11","2304","2306","10.1039/c5cc07752d","","","1.54184","CuKα","","0.0311","0.0309","","","0.0799","0.0802","","","","","","1.03","","","","has coordinates","175892","2020-10-21","18:00:00",""
"7118350","14.4012","0.0006","10.1201","0.0005","15.5792","0.0007","90","","97.623","0.004","90","","2250.47","0.18","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C23 H23 Br N2 O5 -","- C23 H21 Br N2 O5 -","- C92 H84 Br4 N8 O20 -","4","1","","Zhang, Ya-Jun; Chen, Cheng; Tan, Bin; Cai, Li-Xuan; Yang, Xiao-Dong; Zhang, Jie","A dual-stimuli responsive small molecule organic material with tunable multi-state response showing turn-on luminescence and photocoloration.","Chemical communications (Cambridge, England)","2016","52","13","2835","2838","10.1039/c5cc09799a","","","1.54178","CuKα","","0.0569","0.045","","","0.1247","0.1375","","","","","","1.05","","","","has coordinates","177629","2020-10-21","18:00:00",""
"7118351","27.25","0.05","13.662","0.016","17.3","0.02","90","","110.04","0.018","90","","6051","15","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C46 H58 Br2 N4 O16 -","- C46 H42 Br2 N4 O16 -","- C184 H168 Br8 N16 O64 -","4","0.5","","Zhang, Ya-Jun; Chen, Cheng; Tan, Bin; Cai, Li-Xuan; Yang, Xiao-Dong; Zhang, Jie","A dual-stimuli responsive small molecule organic material with tunable multi-state response showing turn-on luminescence and photocoloration.","Chemical communications (Cambridge, England)","2016","52","13","2835","2838","10.1039/c5cc09799a","","","0.71073","MoKα","","0.2125","0.1069","","","0.3012","0.3734","","","","","","0.929","","","","has coordinates","177629","2020-10-21","18:00:00",""
"7118352","6.821","0.0006","17.801","0.002","19.7701","0.0018","90","","98.215","0.008","90","","2375.9","0.4","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C23 H21 F6 N2 O4 P -","- C23 H21 F6 N2 O4 P -","- C92 H84 F24 N8 O16 P4 -","4","1","","Zhang, Ya-Jun; Chen, Cheng; Tan, Bin; Cai, Li-Xuan; Yang, Xiao-Dong; Zhang, Jie","A dual-stimuli responsive small molecule organic material with tunable multi-state response showing turn-on luminescence and photocoloration.","Chemical communications (Cambridge, England)","2016","52","13","2835","2838","10.1039/c5cc09799a","","","1.54178","CuKα","","0.117","0.0822","","","0.1623","0.1893","","","","","","1.092","","","","has coordinates,has disorder","177629","2020-10-21","18:00:00",""
"7118353","11.3148","0.001","7.1192","0.0005","21.3182","0.0015","90","","93.83","0.008","90","","1713.4","0.2","293.18","0.1","293.18","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H18 Br N2 O2 -","- C20 H18 Br N2 O2 -","- C80 H72 Br4 N8 O8 -","4","1","","Xu, Guo-Qiang; Li, Chen-Guang; Liu, Ming-Qian; Cao, Jian; Luo, Yong-Chun; Xu, Peng-Fei","Dual C-H functionalization of N-aryl tetrahydroisoquinolines: a highly diastereoselective synthesis of dibenzo[a,f]quinolizines via visible-light induced oxidation and inverse electron-demand aza-Diels-Alder reaction.","Chemical communications (Cambridge, England)","2016","52","6","1190","1193","10.1039/c5cc08833j","","x-ray","0.71073","MoKα","","0.2026","0.0716","","","0.1149","0.1642","","","","","","1.003","","","","has coordinates","173620","2020-10-21","18:00:00",""
"7118354","15.9684","0.0005","15.9684","0.0005","33.649","0.004","90","","90","","120","","7430.6","0.9","293","2","293","2","","","","","","","","5","P 65 2 2","P 65 2 (0 0 1)","179","","UTSA-67","","- C20 H12 N O5.5 Zn -","- C20 H12 N O5.5 Zn -","- C240 H144 N12 O66 Zn12 -","12","1","","Wen, Hui-Min; Li, Bin; Wang, Hailong; Krishna, Rajamani; Chen, Banglin","High acetylene/ethylene separation in a microporous zinc(ii) metal-organic framework with low binding energy.","Chemical communications (Cambridge, England)","2016","52","6","1166","1169","10.1039/c5cc08210b","","","0.71073","MoKα","","0.1616","0.1139","","","0.2978","0.3341","","","","","","1.07","","","","has coordinates,has disorder","173621","2020-10-21","18:00:00",""
"7118355","16.8444","0.001","16.8444","0.001","12.6713","0.0008","90","","90","","120","","3113.6","0.3","100","2","100","2","","","","","","","","5","P 63/m","-P 6c","176","","","","- C69 H87 Fe3 N6 S3 -","- C63 H81 Fe3 N6 S3 -","- C126 H162 Fe6 N12 S6 -","2","0.166667","","Lee, Yousoon; Jeon, Ie-Rang; Abboud, Khalil A.; García-Serres, Ricardo; Shearer, Jason; Murray, Leslie J.","A [3Fe-3S](3+) cluster with exclusively μ-sulfide donors.","Chemical communications (Cambridge, England)","2016","52","6","1174","1177","10.1039/c5cc07813j","","","0.71073","MoKα","","0.0591","0.0444","","","0.1218","0.1284","","","","","","1.041","","","","has coordinates","173622","2020-10-21","18:00:00",""
"7118356","12.6261","0.0005","12.6261","0.0005","29.234","0.003","90","","90","","90","","4660.4","0.5","173","2","173","2","","","","","","","","5","P 42/m c m","-P 4c 2c","132","","InOF-14","","- C4.5 H1.5 Eu0.25 In0.25 O4 -","- C4.5 H1.5 Eu0.25 In0.25 O4 -","- C72 H24 Eu4 In4 O64 -","16","1","","Qian, Jinjie; Li, Qipeng; Liang, Linfeng; Yang, Yan; Cao, Zhen; Yu, Panpan; Huang, Shaoming; Hong, Maochun","A photoluminescent indium-organic framework with discrete cages and one-dimensional channels for gas adsorption.","Chemical communications (Cambridge, England)","2016","52","58","9032","9035","10.1039/c5cc10359b","","","1.54184","CuKα","","0.0827","0.0704","","","0.2129","0.2242","","","","","","1.088","","","","has coordinates","185100","2020-10-21","18:00:00",""
"7118357","7.6294","0.0005","12.6995","0.0008","25.8239","0.0017","90","","90","","90","","2502.1","0.3","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","rl048-krypto1","","- C14 H7 F5 N2 -","- C14 H7 F5 N2 -","- C112 H56 F40 N16 -","8","2","","Laubenstein, R.; Şerb, M-D; Englert, U.; Raabe, G.; Braun, T.; Braun, B.","Is it all in the hinge? A kryptoracemate and three of its alternative racemic polymorphs of an aminonitrile.","Chemical communications (Cambridge, England)","2016","52","6","1214","1217","10.1039/c5cc08992a","","","1.54178","CuKα","","0.0272","0.0256","","","0.0669","0.0684","","","","","","1.031","","","","has coordinates","173624","2020-10-21","18:00:00",""
"7118358","7.6779","0.0002","23.7528","0.0006","13.8443","0.0003","90","","90.3699","0.0009","90","","2524.75","0.11","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H7 F5 N2 -","- C14 H7 F5 N2 -","- C112 H56 F40 N16 -","8","2","","Laubenstein, R.; Şerb, M-D; Englert, U.; Raabe, G.; Braun, T.; Braun, B.","Is it all in the hinge? A kryptoracemate and three of its alternative racemic polymorphs of an aminonitrile.","Chemical communications (Cambridge, England)","2016","52","6","1214","1217","10.1039/c5cc08992a","","","1.54178","CuKα","","0.075","0.0697","","","0.1686","0.174","","","","","","1.093","","","","has coordinates","173624","2020-10-21","18:00:00",""
"7118359","25.3241","0.0016","6.535","0.0005","29.874","0.002","90","","90","","90","","4943.9","0.6","100","2","100","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C14 H7 F5 N2 -","- C14 H7 F5 N2 -","- C224 H112 F80 N32 -","16","4","","Laubenstein, R.; Şerb, M-D; Englert, U.; Raabe, G.; Braun, T.; Braun, B.","Is it all in the hinge? A kryptoracemate and three of its alternative racemic polymorphs of an aminonitrile.","Chemical communications (Cambridge, England)","2016","52","6","1214","1217","10.1039/c5cc08992a","","","1.54178","CuKα","","0.1362","0.0607","","","0.109","0.1381","","","","","","1.014","","","","has coordinates","173624","2020-10-21","18:00:00",""
"7118360","13.9748","0.001","7.4518","0.0005","11.8994","0.0008","90","","104.487","0.002","90","","1199.77","0.14","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H7 F5 N2 -","- C14 H7 F5 N2 -","- C56 H28 F20 N8 -","4","1","","Laubenstein, R.; Şerb, M-D; Englert, U.; Raabe, G.; Braun, T.; Braun, B.","Is it all in the hinge? A kryptoracemate and three of its alternative racemic polymorphs of an aminonitrile.","Chemical communications (Cambridge, England)","2016","52","6","1214","1217","10.1039/c5cc08992a","","","0.71073","MoKα","","0.0468","0.034","","","0.079","0.0854","","","","","","1.007","","","","has coordinates","173624","2020-10-21","18:00:00",""
"7118361","16.295","0.013","14.157","0.018","18.637","0.017","90","","104.42","0.02","90","","4164","7","123","2","123","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C26 H19 O3 P -","- C26 H19 O3 P -","- C208 H152 O24 P8 -","8","1","","Fukazawa, Aiko; Suda, Shinji; Taki, Masayasu; Yamaguchi, Eriko; Grzybowski, Marek; Sato, Yoshikatsu; Higashiyama, Tetsuya; Yamaguchi, Shigehiro","Phospha-fluorescein: a red-emissive fluorescein analogue with high photobleaching resistance.","Chemical communications (Cambridge, England)","2016","52","6","1120","1123","10.1039/c5cc09345g","","","0.71075","MoKα","","0.0458","0.0402","","","0.105","0.1095","","","","","","1.063","","","","has coordinates,has disorder","173625","2020-10-21","18:00:00",""
"7118362","9.1964","0.001","11.7747","0.0012","9.7412","0.001","90","","98.134","0.005","90","","1044.21","0.19","293","2","293.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","acetamide","2,2-dichloro-N-(3-chloro-4-fluorophenyl)acetamide","","- C8 H5 Cl3 F N O -","- C8 H5 Cl3 F N O -","- C32 H20 Cl12 F4 N4 O4 -","4","1","","Ghosh, Monisankar; Saha, Suchandrima; Dutta, Samir Kumar","'Dual hit' metabolic modulator LDCA selectively kills cancer cells by efficient competitive inhibition of LDH-A.","Chemical communications (Cambridge, England)","2016","52","11","2401","2404","10.1039/c5cc09903j","","x-ray","0.71073","MoKα","","0.0596","0.0453","","","0.1191","0.134","","","","","","1.038","","","","has coordinates","175888","2020-10-21","18:00:00",""
"7118363","9.937","0.004","17.673","0.007","10.223","0.004","90","","90","","90","","1795.3","1.2","123","2","123","2","","","","","","","","2","C 2 2 21","C 2c 2","20","","","","- C26 H22 -","- C26 H22 -","- C104 H88 -","4","0.5","","Iwahara, Hideaki; Kushida, Tomokatsu; Yamaguchi, Shigehiro","A planarized 9-phenylanthracene: a simple electron-donating building block for fluorescent materials.","Chemical communications (Cambridge, England)","2016","52","6","1124","1127","10.1039/c5cc08259e","","","0.71075","MoKa","","0.0416","0.0392","","","0.1034","0.1054","","","","","","1.107","","","","has coordinates","173627","2020-10-21","18:00:00",""
"7118364","6.247","0.006","10.259","0.011","10.779","0.011","84.94","0.04","76.39","0.04","77.39","0.04","654.7","1.2","123","2","123","2","","","","","","","","2","P -1","-P 1","2","","","","- C20 H14 -","- C20 H14 -","- C40 H28 -","2","1","","Iwahara, Hideaki; Kushida, Tomokatsu; Yamaguchi, Shigehiro","A planarized 9-phenylanthracene: a simple electron-donating building block for fluorescent materials.","Chemical communications (Cambridge, England)","2016","52","6","1124","1127","10.1039/c5cc08259e","","","0.71075","MoKa","","0.1514","0.1195","","","0.2763","0.2975","","","","","","0.962","","","","has coordinates","173627","2020-10-21","18:00:00",""
"7118365","25.299","0.0012","25.299","0.0012","166.828","0.003","90","","90","","120","","92471","6","293","2","293","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C186 H102 N8 O71 S3 Zn20 -","- C186 H102 N8 O71 S3 Zn20 -","- C1116 H612 N48 O426 S18 Zn120 -","6","0.333333","","Xie, Wei; He, Wen-Wen; Du, Dong-Ying; Li, Shun-Li; Qin, Jun-Sheng; Su, Zhong-Min; Sun, Chun-Yi; Lan, Ya-Qian","A stable Alq3@MOF composite for white-light emission.","Chemical communications (Cambridge, England)","2016","52","16","3288","3291","10.1039/c5cc08703a","","","0.71073","MoKα","","0.1591","0.0726","","","0.1917","0.2151","","","","","","1.029","","","","has coordinates,has disorder","177672","2020-10-21","18:00:00",""
"7118366","7.6832","0.0006","9.6923","0.0007","10.0668","0.0009","89.063","0.006","82.389","0.007","80.144","0.007","732.07","0.1","291","2","291.15","","","","","","","","","5","P -1","-P 1","2","","","","- C12 H16 N3 O5 P -","- C12 H16 N3 O5 P -","- C24 H32 N6 O10 P2 -","2","1","","Gao, Ming; Li, Yi; Xie, Lijuan; Chauvin, Remi; Cui, Xiuling","Direct phosphonation of quinoxalin-2(1H)-ones under transition-metal-free conditions.","Chemical communications (Cambridge, England)","2016","52","13","2846","2849","10.1039/c5cc08049e","","","1.54184","CuKα","","0.0572","0.0441","","","0.1111","0.1212","","","","","","1.044","","","","has coordinates","177640","2020-10-21","18:00:00",""
"7118367","10.5246","0.0007","7.1824","0.0005","33.424","0.002","90","","94.7154","0.001","90","","2518","0.3","90","","90","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Ethyl 2-((3R*,4S*)-3-(1-((tert-butyldimethylsilyl)oxy)cyclohexyl)-2-oxochroman-4-yl)acetate","","- C25 H38 O5 Si -","- C25 H38 O5 Si -","- C100 H152 O20 Si4 -","4","1","","Yanai, Hikaru; Kobayashi, Osamu; Takada, Kenji; Isono, Takuya; Satoh, Toshifumi; Matsumoto, Takashi","Sequential Mukaiyama-Michael reaction induced by carbon acids.","Chemical communications (Cambridge, England)","2016","52","16","3280","3283","10.1039/c5cc10115h","","","0.71073","MoKα","","0.0461","0.0379","","","0.0935","0.0994","","","","","","1.032","","","","has coordinates,has disorder","177674","2020-10-21","18:00:00",""
"7118368","7.1552","0.0008","17.356","0.002","14.5825","0.0017","90","","95.177","0.002","90","","1803.5","0.4","90","","90","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Ethyl 2-((3S*,4S*)-6-bromo-2-oxo-3-((S*)-3-oxocycloheptyl)chroman-4-yl)acetate","","- C20 H23 Br O5 -","- C20 H23 Br O5 -","- C80 H92 Br4 O20 -","4","1","","Yanai, Hikaru; Kobayashi, Osamu; Takada, Kenji; Isono, Takuya; Satoh, Toshifumi; Matsumoto, Takashi","Sequential Mukaiyama-Michael reaction induced by carbon acids.","Chemical communications (Cambridge, England)","2016","52","16","3280","3283","10.1039/c5cc10115h","","","0.71073","MoKα","","0.0364","0.0294","","","0.0718","0.0742","","","","","","1.044","","","","has coordinates","177674","2020-10-21","18:00:00",""
"7118369","34.732","0.004","13.1317","0.0014","8.2791","0.0009","90","","90","","90","","3776","0.7","90","","90","","","","","","","","","3","P c a 21","P 2c -2ac","29","","Ethyl 2-((2S*,3'R*,4'S*)-2',4-dioxo-[2,3'-bichroman]-4'-yl)acetate","","- C22 H20 O6 -","- C22 H20 O6 -","- C176 H160 O48 -","8","2","","Yanai, Hikaru; Kobayashi, Osamu; Takada, Kenji; Isono, Takuya; Satoh, Toshifumi; Matsumoto, Takashi","Sequential Mukaiyama-Michael reaction induced by carbon acids.","Chemical communications (Cambridge, England)","2016","52","16","3280","3283","10.1039/c5cc10115h","","","0.71073","MoKα","","0.0394","0.033","","","0.0722","0.0754","","","","","","1.003","","","","has coordinates","177674","2020-10-21","18:00:00",""
"7118370","12.6704","0.0012","9.7676","0.0009","16.2166","0.0016","90","","97.059","0.001","90","","1991.7","0.3","90","","90","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Ethyl 2-((2R*,3R*,3'R*,4'S*)-3-bromo-3-methyl-2',4-dioxo-[2,3'-bichroman]-4'-yl)acetate","","- C23 H21 Br O6 -","- C23 H21 Br O6 -","- C92 H84 Br4 O24 -","4","1","","Yanai, Hikaru; Kobayashi, Osamu; Takada, Kenji; Isono, Takuya; Satoh, Toshifumi; Matsumoto, Takashi","Sequential Mukaiyama-Michael reaction induced by carbon acids.","Chemical communications (Cambridge, England)","2016","52","16","3280","3283","10.1039/c5cc10115h","","","0.71073","MoKα","","0.0411","0.0292","","","0.0594","0.0633","","","","","","1.014","","","","has coordinates","177674","2020-10-21","18:00:00",""
"7118371","25.583","0.003","6.8787","0.0008","17.4038","0.0019","90","","90","","90","","3062.7","0.6","90","","90","","","","","","","","","3","P c a 21","P 2c -2ac","29","","Ethyl 2-((3S*,4S*)-2-oxo-3-((R*)-3-oxocyclopentyl)chroman-4-yl)acetate","","- C18 H20 O5 -","- C18 H20 O5 -","- C144 H160 O40 -","8","2","","Yanai, Hikaru; Kobayashi, Osamu; Takada, Kenji; Isono, Takuya; Satoh, Toshifumi; Matsumoto, Takashi","Sequential Mukaiyama-Michael reaction induced by carbon acids.","Chemical communications (Cambridge, England)","2016","52","16","3280","3283","10.1039/c5cc10115h","","","0.71073","MoKα","","0.0371","0.0329","","","0.0773","0.08","","","","","","1.043","","","","has coordinates","177674","2020-10-21","18:00:00",""
"7118372","11.3068","0.0019","9.6829","0.0016","24.116","0.004","90","","103.091","0.002","90","","2571.7","0.7","90","","90","","","","","","","","","4","P 1 c 1","P -2yc","7","","Ethyl 2-((3S*,4S*)-6-bromo-2-oxo-3-((R*)-3-oxocyclopentyl)chroman-4-yl)acetate","","- C18 H19 Br O5 -","- C18 H19 Br O5 -","- C108 H114 Br6 O30 -","6","3","","Yanai, Hikaru; Kobayashi, Osamu; Takada, Kenji; Isono, Takuya; Satoh, Toshifumi; Matsumoto, Takashi","Sequential Mukaiyama-Michael reaction induced by carbon acids.","Chemical communications (Cambridge, England)","2016","52","16","3280","3283","10.1039/c5cc10115h","","","0.71073","MoKα","","0.036","0.029","","","0.0568","0.0589","","","","","","0.963","","","","has coordinates","177674","2020-10-21","18:00:00",""
"7118373","15.1059","0.0012","7.0831","0.0006","16.4912","0.0013","90","","114.08","0.001","90","","1610.9","0.2","90","","90","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","Ethyl 2-((3S*,4S*)-2-oxo-3-((R*)-3-oxocyclohexyl)chroman-4-yl)acetate","","- C19 H22 O5 -","- C19 H22 O5 -","- C76 H88 O20 -","4","1","","Yanai, Hikaru; Kobayashi, Osamu; Takada, Kenji; Isono, Takuya; Satoh, Toshifumi; Matsumoto, Takashi","Sequential Mukaiyama-Michael reaction induced by carbon acids.","Chemical communications (Cambridge, England)","2016","52","16","3280","3283","10.1039/c5cc10115h","","","0.71073","MoKα","","0.0384","0.0334","","","0.0838","0.0872","","","","","","1.023","","","","has coordinates","177674","2020-10-21","18:00:00",""
"7118374","8.854","0.003","14.268","0.004","14.396","0.004","94.289","0.004","102.73","0.004","95.207","0.004","1758.2","0.9","90","","90","","","","","","","","","4","P -1","-P 1","2","","Ethyl 2-((3S*,4S*)-6-bromo-2-oxo-3-((R*)-3-oxocyclohexyl)chroman-4-yl)acetate","","- C19 H21 Br O5 -","- C19 H21 Br O5 -","- C76 H84 Br4 O20 -","4","2","","Yanai, Hikaru; Kobayashi, Osamu; Takada, Kenji; Isono, Takuya; Satoh, Toshifumi; Matsumoto, Takashi","Sequential Mukaiyama-Michael reaction induced by carbon acids.","Chemical communications (Cambridge, England)","2016","52","16","3280","3283","10.1039/c5cc10115h","","","0.71073","MoKα","","0.0882","0.0741","","","0.1936","0.1991","","","","","","1.183","","","","has coordinates","177674","2020-10-21","18:00:00",""
"7118375","12.0177","0.0012","6.6196","0.0006","23.898","0.002","90","","93.302","0.001","90","","1898","0.3","90","","90","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Ethyl 2-((3S*,4S*)-6-bromo-2-oxo-3-((R*)-3-oxocycloheptyl)chroman-4-yl)acetate","","- C20 H23 Br O5 -","- C20 H23 Br O5 -","- C80 H92 Br4 O20 -","4","1","","Yanai, Hikaru; Kobayashi, Osamu; Takada, Kenji; Isono, Takuya; Satoh, Toshifumi; Matsumoto, Takashi","Sequential Mukaiyama-Michael reaction induced by carbon acids.","Chemical communications (Cambridge, England)","2016","52","16","3280","3283","10.1039/c5cc10115h","","","0.71073","MoKα","","0.0263","0.0225","","","0.0547","0.0561","","","","","","1.06","","","","has coordinates","177674","2020-10-21","18:00:00",""
"7118376","13.7379","0.0004","8.3487","0.0003","13.0277","0.0004","90","","106.235","0.002","90","","1434.61","0.08","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","(ethylenediamine)Zincsulfite","","- C2 H10 N2 O12 S4 Zn3 -","- C2 H10 N2 O12 S4 Zn3 -","- C8 H40 N8 O48 S16 Zn12 -","4","0.5","","Tiwari, Ranjay K.; Kumar, Jitendra; Behera, J. N.","The first organically templated open-framework metal-sulfites with layered and three-dimensional diamondoid structures.","Chemical communications (Cambridge, England)","2016","52","6","1282","1285","10.1039/c5cc07874a","","","0.71073","MoKα","","0.0253","0.0225","","","0.0564","0.0576","","","","","","1.095","","","","has coordinates","173631","2020-10-21","18:00:00",""
"7118377","14.4211","0.0013","12.1181","0.0008","14.0692","0.0008","90","","90","","90","","2458.7","0.3","293","2","293","2","","","","","","","","6","F d d 2","F 2 -2d","43","","(Guanidinium)zincsulfite","","- C2 H12 N6 O6 S2 Zn -","- C2 H12 N6 O6 S2 Zn -","- C16 H96 N48 O48 S16 Zn8 -","8","0.5","","Tiwari, Ranjay K.; Kumar, Jitendra; Behera, J. N.","The first organically templated open-framework metal-sulfites with layered and three-dimensional diamondoid structures.","Chemical communications (Cambridge, England)","2016","52","6","1282","1285","10.1039/c5cc07874a","","","0.71073","MoKα","","0.0531","0.038","","","0.0669","0.0723","","","","","","1.029","","","","has coordinates","173631","2020-10-21","18:00:00",""
"7118378","18.1909","0.0003","19.1754","0.0004","20.759","0.0004","90","","112.85","0.001","90","","6672.9","0.2","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","[Cu(DMAP)4I]I","","- C28 H40 Cu I2 N8 -","- C28 H40 Cu I2 N8 -","- C224 H320 Cu8 I16 N64 -","8","2","","Roy, Subhasish; Sarma, Manas Jyoti; Kashyap, Bishwapran; Phukan, Prodeep","A quick Chan-Lam C-N and C-S cross coupling at room temperature in the presence of square pyramidal [Cu(DMAP)4I]I as a catalyst.","Chemical communications (Cambridge, England)","2016","52","6","1170","1173","10.1039/c5cc04619j","","","0.71073","MoKα","","0.1122","0.0452","","","0.1283","0.1778","","","","","","0.979","","","","has coordinates","173632","2020-10-21","18:00:00",""
"7118379","9.1413","0.0002","19.4335","0.0007","28.6894","0.0009","90","","98.911","0.001","90","","5035.1","0.3","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C20 H36 B6 Ir2 -","- C20 H36 B6 Ir2 -","- C160 H288 B48 Ir16 -","8","2","","Borthakur, Rosmita; Mondal, Bijan; Nandi, Purbasha; Ghosh, Sundargopal","Hypoelectronic isomeric diiridaboranes [(Cp*Ir)2B6H6]: the ""Rule-Breakers""(Cp* = η(5)-C5Me5).","Chemical communications (Cambridge, England)","2016","52","15","3199","3202","10.1039/c5cc09606e","","","0.71073","MoKα","","0.0714","0.0437","","","0.0858","0.1002","","","","","","1.163","","","","has coordinates","177648","2020-10-21","18:00:00",""
"7118380","9.1768","0.0002","9.2116","0.0002","16.3496","0.0004","99.379","0.001","101.76","0.001","102.741","0.001","1288.09","0.05","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C20 H37 B7 Ir2 -","- C20 H37 B7 Ir2 -","- C40 H74 B14 Ir4 -","2","1","","Borthakur, Rosmita; Mondal, Bijan; Nandi, Purbasha; Ghosh, Sundargopal","Hypoelectronic isomeric diiridaboranes [(Cp*Ir)2B6H6]: the ""Rule-Breakers""(Cp* = η(5)-C5Me5).","Chemical communications (Cambridge, England)","2016","52","15","3199","3202","10.1039/c5cc09606e","","","0.71073","MoKα","","0.0427","0.033","","","0.086","0.0952","","","","","","1.062","","","","has coordinates,has disorder","177648","2020-10-21","18:00:00",""
"7118381","16.4805","0.0014","19.9995","0.0011","16.6991","0.0014","90","","117.242","0.011","90","","4893.5","0.8","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H36 B6 Ir2 -","- C20 H36 B6 Ir2 -","- C160 H288 B48 Ir16 -","8","2","","Borthakur, Rosmita; Mondal, Bijan; Nandi, Purbasha; Ghosh, Sundargopal","Hypoelectronic isomeric diiridaboranes [(Cp*Ir)2B6H6]: the ""Rule-Breakers""(Cp* = η(5)-C5Me5).","Chemical communications (Cambridge, England)","2016","52","15","3199","3202","10.1039/c5cc09606e","","","0.71073","MoKα","","0.1212","0.0831","","","0.2211","0.2706","","","","","","1.077","","","","has coordinates","177648","2020-10-21","18:00:00",""
"7118382","8.6783","0.0002","11.3201","0.0002","12.0032","0.0002","111.032","0.001","94.279","0.001","105.86","0.001","1038.96","0.04","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C23 H26 N O3 P -","- C23 H26 N O3 P -","- C46 H52 N2 O6 P2 -","2","1","","Wang, Jieping; Siqueira, Gilberto; Müller, Georgina; Rentsch, Daniel; Huch, Anja; Tingaut, Philippe; Levalois-Grützmacher, Joëlle; Grützmacher, Hansjörg","Synthesis of new bis(acyl)phosphane oxide photoinitiators for the surface functionalization of cellulose nanocrystals.","Chemical communications (Cambridge, England)","2016","52","13","2823","2826","10.1039/c5cc09760f","","","0.71073","MoKα","","0.0556","0.0402","","","0.1012","0.1082","","","","","","1.047","","","","has coordinates","177630","2020-10-21","18:00:00",""
"7118383","9.7059","0.0003","15.7541","0.0004","10.525","0.0003","90","","95.513","0.002","90","","1601.91","0.08","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C20 H15 N3 O -","- C20 H15 N3 O -","- C80 H60 N12 O4 -","4","1","","Sadhu, Pradeep; Punniyamurthy, Tharmalingam","Copper(ii)-mediated regioselective N-arylation of pyrroles, indoles, pyrazoles and carbazole via dehydrogenative coupling.","Chemical communications (Cambridge, England)","2016","52","13","2803","2806","10.1039/c5cc08206d","","","0.71073","MoKα","","0.0466","0.0405","","","0.0961","0.1011","","","","","","1.081","","","","has coordinates","177632","2020-10-21","18:00:00",""
"7118384","10.9284","0.0009","18.6077","0.0014","10.9054","0.0008","90","","118.516","0.002","90","","1948.6","0.3","0","2","0","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C25 H17 F N2 O2 -","- C25 H17 F N2 O2 -","- C100 H68 F4 N8 O8 -","4","1","","Rajkumar, Subramani; Antony Savarimuthu, S.; Senthil Kumaran, Rajendran; Nagaraja, C. M.; Gandhi, Thirumanavelan","Expedient synthesis of new cinnoline diones by Ru-catalyzed regioselective unexpected deoxygenation-oxidative annulation of propargyl alcohols with phthalazinones and pyridazinones.","Chemical communications (Cambridge, England)","2016","52","12","2509","2512","10.1039/c5cc09347c","","","0.71073","MoKα","","0.0761","0.0493","","","0.1159","0.1284","","","","","","1.036","","","","has coordinates","175876","2020-10-21","18:00:00",""
"7118385","22.748","0.006","10.773","0.003","15.613","0.004","90","","102.346","0.008","90","","3737.7","1.7","0","2","0","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C23 H15 N3 O4 -","- C23 H15 N3 O4 -","- C184 H120 N24 O32 -","8","2","","Rajkumar, Subramani; Antony Savarimuthu, S.; Senthil Kumaran, Rajendran; Nagaraja, C. M.; Gandhi, Thirumanavelan","Expedient synthesis of new cinnoline diones by Ru-catalyzed regioselective unexpected deoxygenation-oxidative annulation of propargyl alcohols with phthalazinones and pyridazinones.","Chemical communications (Cambridge, England)","2016","52","12","2509","2512","10.1039/c5cc09347c","","","0.71073","MoKα","","0.2069","0.1076","","","0.2679","0.3199","","","","","","1.034","","","","has coordinates","193656","2020-10-21","18:00:00",""
"7118386","23.952","0.005","5.752","0.001","14.804","0.003","90","","100.445","0.004","90","","2005.8","0.7","173","1","173","1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C11 H14 O2 S -","- C11 H14 O2 S -","- C88 H112 O16 S8 -","8","2","","Albarghouti, Ghassan; Kotikalapudi, Ramesh; Lankri, David; Valerio, Viviana; Tsvelikhovsky, Dmitry","Cascade Pd(ii)-catalyzed Wacker lactonization-Heck reaction: rapid assembly of spiranoid lactones.","Chemical communications (Cambridge, England)","2016","52","15","3095","3098","10.1039/c5cc09923d","","","0.71073","MoKα","","0.1249","0.0918","","","0.1685","0.1804","","","","","","1.194","","","","has coordinates","177650","2020-10-21","18:00:00",""
"7118387","18.257","0.011","8.475","0.006","28.615","0.013","90","","129.59","0.03","90","","3412","4","100","2","100","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C53 H100 N12 Ni2 O24 -","- C53 H68 N12 Ni2 O24 -","- C106 H136 N24 Ni4 O48 -","2","0.5","","Jiang, Xiang; Kou, Hui-Zhong","Solid state reconstructive phase transition from porous supramolecular network to porous coordination polymer.","Chemical communications (Cambridge, England)","2016","52","14","2952","2955","10.1039/c5cc09808d","","","0.71073","MoKα","","0.1552","0.1032","","","0.2938","0.3237","","","","","","1.067","","","","has coordinates,has disorder","177692","2020-10-21","18:00:00",""
"7118388","27.286","0.007","27.286","0.007","8.343","0.003","90","","90","","90","","6212","3","100","2","100","2","","","","","","","","5","I 41/a","-I 4ad","88","","","","- C57 H92 N12 Ni2 O16 -","- C57 H76 N12 Ni2 O8 -","- C228 H304 N48 Ni8 O32 -","4","","","Jiang, Xiang; Kou, Hui-Zhong","Solid state reconstructive phase transition from porous supramolecular network to porous coordination polymer.","Chemical communications (Cambridge, England)","2016","52","14","2952","2955","10.1039/c5cc09808d","","","0.71073","MoKα","","0.2004","0.1094","","","0.2992","0.3443","","","","","","1.009","","","","has coordinates,has disorder","177692","2020-10-21","18:00:00",""
"7118389","7.5787","0.0002","8.0875","0.0002","9.6138","0.0003","72.4479","0.0015","68.0319","0.0015","85.0439","0.0016","520.8","0.03","200","2","200","2","","","","","","","acetonitrile","5","P -1","-P 1","2","","","","- C20 H28 Cu N2 O4 -","- C20 H28 Cu N2 O4 -","- C20 H28 Cu N2 O4 -","1","0.5","","Paquet, C.; Lacelle, T.; Deore, B.; Kell, A. J.; Liu, X.; Korobkov, I.; Malenfant, P. R. L.","Pyridine-copper(ii) formates for the generation of high conductivity copper films at low temperatures.","Chemical communications (Cambridge, England)","2016","52","12","2605","2608","10.1039/c5cc07737k","","","0.71073","MoKα","","0.0259","0.0251","","","0.0717","0.0722","","","","","","1.052","","","","has coordinates","175870","2020-10-21","18:00:00",""
"7118392","12.7488","0.0004","12.7765","0.0004","25.7791","0.001","92.399","0.002","101.831","0.002","104.172","0.002","3966","0.2","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- Cs1.5 H130 Na14.5 Ni7 O180 P4 W30 -","- Cs0.5 Na11.6 Ni7 O160 P4 W30 -","- Cs0.5 Na11.6 Ni7 O160 P4 W30 -","1","0.5","","Bassil, Bassem S.; Xiang, Yixian; Haider, Ali; Hurtado, Jaime; Novitchi, Ghenadie; Powell, Annie K.; Bossoh, A. Martin; Mbomekallé, Israël M; de Oliveira, Pedro; Kortz, Ulrich","Heptanickel(ii) double-cubane core in wells-dawson heteropolytungstate, [Ni7(OH)6(H2O)6(P2W15O56)2](16.).","Chemical communications (Cambridge, England)","2016","52","12","2601","2604","10.1039/c5cc09823h","","","0.71073","MoKα","","0.0891","0.0676","","","0.154","0.1678","","","","","","1.002","","","","has coordinates","175865","2020-10-21","18:00:00",""
"7118393","11.3452","0.0004","17.9768","0.0006","10.1595","0.0004","90","","110.197","0.0012","90","","1944.63","0.12","120","","120","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C25 H17 N O2 S2 -","- C25 H17 N O2 S2 -","- C100 H68 N4 O8 S8 -","4","1","","Ward, Jonathan S.; Nobuyasu, Roberto S.; Batsanov, Andrei S.; Data, Przemyslaw; Monkman, Andrew P.; Dias, Fernando B.; Bryce, Martin R.","The interplay of thermally activated delayed fluorescence (TADF) and room temperature organic phosphorescence in sterically-constrained donor-acceptor charge-transfer molecules.","Chemical communications (Cambridge, England)","2016","52","12","2612","2615","10.1039/c5cc09645f","","x-ray","0.71073","MoKα","","0.056","0.0427","","","0.1005","0.1071","","","","","","1.04","","","","has coordinates","175873","2020-10-21","18:00:00",""
"7118394","20.7971","0.0013","11.4101","0.0007","15.4184","0.001","90","","98.56","0.002","90","","3618","0.4","120","","120","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C41 H32 Cl2 N2 O2 S3 -","- C41 H32 Cl2 N2 O2 S3 -","- C164 H128 Cl8 N8 O8 S12 -","4","0.5","","Ward, Jonathan S.; Nobuyasu, Roberto S.; Batsanov, Andrei S.; Data, Przemyslaw; Monkman, Andrew P.; Dias, Fernando B.; Bryce, Martin R.","The interplay of thermally activated delayed fluorescence (TADF) and room temperature organic phosphorescence in sterically-constrained donor-acceptor charge-transfer molecules.","Chemical communications (Cambridge, England)","2016","52","12","2612","2615","10.1039/c5cc09645f","","x-ray","0.71073","MoKα","","0.0546","0.0445","","","0.1259","0.1332","","","","","","1.048","","","","has coordinates,has disorder","175873","2020-10-21","18:00:00",""
"7118395","12.7719","0.001","13.6832","0.001","19.915","0.002","90","","98.962","0.003","90","","3437.9","0.5","120","","120","","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C42 H34 N2 O2 S3 -","- C42 H34 N2 O2 S3 -","- C168 H136 N8 O8 S12 -","4","0.5","","Ward, Jonathan S.; Nobuyasu, Roberto S.; Batsanov, Andrei S.; Data, Przemyslaw; Monkman, Andrew P.; Dias, Fernando B.; Bryce, Martin R.","The interplay of thermally activated delayed fluorescence (TADF) and room temperature organic phosphorescence in sterically-constrained donor-acceptor charge-transfer molecules.","Chemical communications (Cambridge, England)","2016","52","12","2612","2615","10.1039/c5cc09645f","","x-ray","0.71073","MoKα","","0.0468","0.04","","","0.1081","0.1123","","","","","","1.048","","","","has coordinates","175873","2020-10-21","18:00:00",""
"7118396","11.6805","0.0003","15.8659","0.0004","19.4344","0.0005","90","","98.323","0.0014","90","","3563.68","0.16","120","","120","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C42 H34 N2 O3 S3 -","- C38 H26 N2 O2 S3 -","- C152 H104 N8 O8 S12 -","4","1","","Ward, Jonathan S.; Nobuyasu, Roberto S.; Batsanov, Andrei S.; Data, Przemyslaw; Monkman, Andrew P.; Dias, Fernando B.; Bryce, Martin R.","The interplay of thermally activated delayed fluorescence (TADF) and room temperature organic phosphorescence in sterically-constrained donor-acceptor charge-transfer molecules.","Chemical communications (Cambridge, England)","2016","52","12","2612","2615","10.1039/c5cc09645f","","x-ray","1.54184","CuKα","","0.1347","0.0856","","","0.1901","0.2149","","","","","","1.033","","","","has coordinates,has disorder","175873","2020-10-21","18:00:00",""
"7118397","11.4913","0.0004","18.0722","0.0007","22.1742","0.0011","90","","90","","90","","4605","0.3","103","2","103","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C26 H26 N2 Ni O6 -","- C26 H26 N2 Ni O6 -","- C208 H208 N16 Ni8 O48 -","8","1","","Shao, Haiyan; Muduli, Subas K.; Tran, Phong D.; Soo, Han Sen","Enhancing electrocatalytic hydrogen evolution by nickel salicylaldimine complexes with alkali metal cations in aqueous media.","Chemical communications (Cambridge, England)","2016","52","14","2948","2951","10.1039/c5cc09456a","","","0.71073","MoKα","","0.0947","0.0444","","","0.1095","0.1583","","","","","","1.065","","","","has coordinates","177696","2020-10-21","18:00:00",""
"7118398","9.4723","0.0005","18.6903","0.001","15.7123","0.0009","90","","96.0152","0.0016","90","","2766.4","0.3","103","2","103","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C26 H26 F6 K N2 Ni O6 P -","- C26 H26 F6 K N2 Ni O6 P -","- C104 H104 F24 K4 N8 Ni4 O24 P4 -","4","1","","Shao, Haiyan; Muduli, Subas K.; Tran, Phong D.; Soo, Han Sen","Enhancing electrocatalytic hydrogen evolution by nickel salicylaldimine complexes with alkali metal cations in aqueous media.","Chemical communications (Cambridge, England)","2016","52","14","2948","2951","10.1039/c5cc09456a","","","0.71073","MoKα","","0.0732","0.0411","","","0.0725","0.0842","","","","","","1.033","","","","has coordinates,has disorder","177696","2020-10-21","18:00:00",""
"7118399","12.8218","0.0009","15.8756","0.0011","38.6736","0.0018","93.295","0.003","93.991","0.003","102.38","0.003","7649.3","0.8","213","","213","","","","","","","","","3","P -1","-P 1","2","","","","- C160 H112 O34 -","- C160 H112 O34 -","- C320 H224 O68 -","2","1","","Ichiro Hisaki; Nobuaki Ikenaka; Norimitsu Tohnai; Mikiji Miyata","Polymorphs of layered assemblies of hydrogen-bonded hexagonal networks caused by conformational frustration","Chem.Commun.","2016","52","","300","","","","","0.8","synchrotron","","0.1592","0.1075","","","0.3173","0.3604","","","","","","1.257","","","","has coordinates","174376","2020-10-21","18:00:00",""
"7118400","14.5203","0.0001","16.0332","0.0001","18.9168","0.0002","103.209","0.0001","94.7721","0.0004","106.869","0.0005","4049.79","0.06","93","","93","","","","","","","","","4","P -1","-P 1","2","","","","- C80 H72 N4 O18 -","- C80 H72 N4 O18 -","- C160 H144 N8 O36 -","2","1","","Ichiro Hisaki; Nobuaki Ikenaka; Norimitsu Tohnai; Mikiji Miyata","Polymorphs of layered assemblies of hydrogen-bonded hexagonal networks caused by conformational frustration","Chem.Commun.","2016","52","","300","","","","","0.8","synchrotron","","0.1103","0.1074","","","0.3815","0.3972","","","","","","1.37","","","","has coordinates,has disorder","174376","2020-10-21","18:00:00",""
"7118401","15.3014","0.0003","20.3447","0.0005","28.1624","0.0006","101.571","0.002","99.3676","0.0017","103.554","0.0008","8144.6","0.3","213","","213","","","","","","","","","4","P -1","-P 1","2","","","","- C166 H126 N2 O36 -","- C166 H126 N2 O36 -","- C332 H252 N4 O72 -","2","1","","Ichiro Hisaki; Nobuaki Ikenaka; Norimitsu Tohnai; Mikiji Miyata","Polymorphs of layered assemblies of hydrogen-bonded hexagonal networks caused by conformational frustration","Chem.Commun.","2016","52","","300","","","","","0.8","synchrotron","","0.1423","0.1161","","","0.3509","0.3746","","","","","","1.431","","","","has coordinates","174376","2020-10-21","18:00:00",""
"7118402","14.5303","0.0005","14.9461","0.0006","20.2579","0.0008","102.355","0.0018","101.544","0.0016","99.0611","0.0017","4117.4","0.3","153","","153","","","","","","","","","3","P -1","-P 1","2","","","","- C68 H44 O14 -","- C68 H44 O14 -","- C136 H88 O28 -","2","1","","Ichiro Hisaki; Nobuaki Ikenaka; Norimitsu Tohnai; Mikiji Miyata","Polymorphs of layered assemblies of hydrogen-bonded hexagonal networks caused by conformational frustration","Chem.Commun.","2016","52","","300","","","","","1.54187","CuKα","","0.1357","0.091","","","0.2889","0.3257","","","","","","0.987","","","","has coordinates","174376","2020-10-21","18:00:00",""
"7118403","15.4431","0.0003","20.9868","0.0004","28.0527","0.0006","103.362","0.0013","98.9655","0.0011","105.805","0.001","8275.7","0.3","273","","273","","","","","","","","","3","P -1","-P 1","2","","","","- C60 H36 O12 -","- C60 H36 O12 -","- C240 H144 O48 -","4","2","","Ichiro Hisaki; Nobuaki Ikenaka; Norimitsu Tohnai; Mikiji Miyata","Polymorphs of layered assemblies of hydrogen-bonded hexagonal networks caused by conformational frustration","Chem.Commun.","2016","52","","300","","","","","0.8","synchrotron","","0.1538","0.1273","","","0.3619","0.389","","","","","","1.489","","","","has coordinates","192220","2020-10-21","18:00:00",""
"7118404","19.1278","0.0002","22.403","0.0002","22.3984","0.0002","60.046","0.0006","87.4093","0.0005","81.0545","0.0004","8209.05","0.14","93","","93","","","","","","","","","3","P -1","-P 1","2","","","","- C68 H44 O14 -","- C68 H44 O14 -","- C272 H176 O56 -","4","2","","Ichiro Hisaki; Nobuaki Ikenaka; Norimitsu Tohnai; Mikiji Miyata","Polymorphs of layered assemblies of hydrogen-bonded hexagonal networks caused by conformational frustration","Chem.Commun.","2016","52","","300","","","","","0.8","synchrotron","","0.134","0.1248","","","0.426","0.4451","","","","","","1.687","","","","has coordinates","192220","2020-10-21","18:00:00",""
"7118405","7.7787","0.0001","22.469","0.0004","9.7911","0.0002","90","","104.593","0.0014","90","","1656.08","0.05","180","","180","","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C33 H39 Cl3 N2 O3 Ru S -","- C33 H39 Cl3 N2 O3 Ru S -","- C66 H78 Cl6 N4 O6 Ru2 S2 -","2","1","","B. Vilhanova; J. Vaclavik; P. Sot; J. Pechacek; J. Zapal; R. Pazout; J. Maixner; M. Kuzmac; P. Kacer","Enantioselective hydrogenation of cyclic imines catalysed by Noyori-Ikariya half-sandwich complexes and their analogues","Chem.Commun.","2016","52","","362","","","","x-ray","1.5418","CuKα","","0.0297","0.0291","","","0.0404","0.0405","","","","2.65","2.65","2.64","","","","has coordinates","174379","2020-10-21","18:00:00",""
"7118406","35.409","0.018","30.501","0.012","31.789","0.013","90","","115.52","0.05","90","","30983","3","85","2","85","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C200 H274 Dy18 N18 O135 Zn12 -","- C200 H260 Dy18 N18 O135 Zn12 -","- C800 H1040 Dy72 N72 O540 Zn48 -","4","0.5","","Nikoleta Stavgianoudaki; Milosz Siczek; Tadeusz Lis; Ross Inglis; Constantinos J. Milios","A triacontanuclear [Zn12Dy18] cluster: a ring of [Dy4] cubes","Chem.Commun.","2016","52","","343","","","","","0.71073","MoKα","","0.1614","0.0784","","","0.1614","0.2209","","","","","","1.218","","","","has coordinates,has disorder","174380","2020-10-21","18:00:00",""
"7118407","16.7246","0.0015","7.1468","0.0007","20.102","0.0019","90","","90","","90","","2402.7","0.4","293","2","293","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C16 H13 N -","- C16 H13 N -","- C128 H104 N8 -","8","1","","Kai Chen; Zi-Zhong Zhu; Jia-Xin Liu; Xiang-Ying Tang; Yin Wei; Min Shi","Substrate-controlled Rh(II)-catalyzed single-electron-transfer (SET): divergent synthesis of fused indoles","Chem.Commun.","2016","52","","350","","","","","0.71073","MoKα","","0.0743","0.0457","","","0.1231","0.1409","","","","","","1.049","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7118408","9.2535","0.0019","14.994","0.003","10.714","0.002","90","","101.697","0.004","90","","1455.7","0.5","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C19 H17 N O -","- C19 H17 N O -","- C76 H68 N4 O4 -","4","1","","Kai Chen; Zi-Zhong Zhu; Jia-Xin Liu; Xiang-Ying Tang; Yin Wei; Min Shi","Substrate-controlled Rh(II)-catalyzed single-electron-transfer (SET): divergent synthesis of fused indoles","Chem.Commun.","2016","52","","350","","","","","0.71073","MoKα","","0.0798","0.0591","","","0.1604","0.182","","","","","","1.089","","","","has coordinates","174383","2020-10-21","18:00:00",""
"7118409","14.4652","0.0008","17.501","0.001","23.3205","0.0014","90","","91.874","0.002","90","","5900.6","0.6","150","2","150","2","","","","","","","synthesis as described","5","P 1 21/n 1","-P 2yn","14","","","","- C66 H49 N6 O8 Tl -","- C66 H49 N6 O8 Tl -","- C264 H196 N24 O32 Tl4 -","4","1","","Victoria Ndoyom; Luca Fusaro; Thierry Roisnel; Stephane Le Gac; Bernard Boitrel","Spontaneous Tl(I)-to-Tl(III) oxidation in dynamic heterobimetallic Hg(II)/Tl(I) porphyrin complexes","Chem.Commun.","2016","52","","517","","","","x-ray","0.71073","MoKα","","0.0987","0.0515","","","0.1188","0.1304","","","","","","0.983","","","","has coordinates,has disorder","174388","2020-10-21","18:00:00",""
"7118410","31.6051","0.0011","13.3823","0.0005","24.6753","0.0007","90","","90.155","0.003","90","","10436.4","0.6","171.9","","171.9","","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C95.5 H129.25 F12 N3.75 O24 P2 -","- C92 H124 F12 N2 O24 P2 -","- C368 H496 F48 N8 O96 P8 -","4","1","","Danyu Xia; Peifa Wei; Bingbing Shi; Feihe Huang","A pillar[6]arene-based [2]pseudorotaxane in solution and in the solid state and its photo-responsive self-assembly behavior in solution","Chem.Commun.","2016","52","","513","","","","","0.71073","MoKα","","0.0683","0.058","","","0.1495","0.161","","","","","","1.027","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7118411","9.7675","0.0009","7.1607","0.0006","15.8901","0.0019","90","","107.9","","90","","1057.59","0.18","150","2","150","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C19 H18 Eu N3 O10 -","- C19 H18 Eu N3 O10 -","- C38 H36 Eu2 N6 O20 -","2","1","","Hai-Yang Li; Hong Xu; Shuang-Quan Zang; Thomas C. W. Mak","A viologen-functionalized chiral Eu-MOF as a platform for multifunctional switchable material","Chem.Commun.","2016","52","","525","","10.1039/C5CC08168H","","","0.71073","MoKα","","0.0489","0.0416","","","0.1043","0.1102","","","","","","1.009","","","","has coordinates","192153","2020-10-21","18:00:00",""
"7118412","11.7454","0.0009","24.4796","0.0019","13.3037","0.001","90","","115.166","0.002","90","","3462","0.5","103","2","103","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C35 H48 F3 Ge N3 O3 S -","- C35 H48 F3 Ge N3 O3 S -","- C140 H192 F12 Ge4 N12 O12 S4 -","4","1","","Bochao Su; Rakesh Ganguly; Yongxin Li; Rei Kinjo","Synthesis, characterization, and electronic structures of a methyl germyliumylidene ion and germylone-group VI metal complexes","Chem.Commun.","2016","52","","613","","","","","0.71073","MoKα","","0.0726","0.0482","","","0.1075","0.1184","","","","","","1.025","","","","has coordinates,has disorder","174392","2020-10-21","18:00:00",""
"7118413","10.2157","0.0003","22.5884","0.0005","15.2996","0.0005","90","","97.648","0.0013","90","","3499.07","0.17","103","2","103","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C36 H47 Cr Ge N3 O6 -","- C36 H47 Cr Ge N3 O6 -","- C144 H188 Cr4 Ge4 N12 O24 -","4","1","","Bochao Su; Rakesh Ganguly; Yongxin Li; Rei Kinjo","Synthesis, characterization, and electronic structures of a methyl germyliumylidene ion and germylone-group VI metal complexes","Chem.Commun.","2016","52","","613","","","","","0.71073","MoKα","","0.0678","0.0403","","","0.0894","0.0997","","","","","","1.017","","","","has coordinates","174392","2020-10-21","18:00:00",""
"7118414","10.3172","0.0009","22.6231","0.0018","15.3939","0.0012","90","","97.423","0.003","90","","3562.9","0.5","103","2","103","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C36 H47 Ge Mo N3 O6 -","- C36 H47 Ge Mo N3 O6 -","- C144 H188 Ge4 Mo4 N12 O24 -","4","1","","Bochao Su; Rakesh Ganguly; Yongxin Li; Rei Kinjo","Synthesis, characterization, and electronic structures of a methyl germyliumylidene ion and germylone-group VI metal complexes","Chem.Commun.","2016","52","","613","","","","","0.71073","MoKα","","0.0985","0.0512","","","0.1292","0.1846","","","","","","1.024","","","","has coordinates","174392","2020-10-21","18:00:00",""
"7118415","10.3691","0.0005","22.617","0.0007","15.3476","0.0007","90","","97.055","0.003","90","","3572","0.3","133","2","133","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C36 H47 Ge N3 O6 W -","- C36 H47 Ge N3 O6 W -","- C144 H188 Ge4 N12 O24 W4 -","4","1","","Bochao Su; Rakesh Ganguly; Yongxin Li; Rei Kinjo","Synthesis, characterization, and electronic structures of a methyl germyliumylidene ion and germylone-group VI metal complexes","Chem.Commun.","2016","52","","613","","","","","0.71073","MoKα","","0.0674","0.0416","","","0.0885","0.0998","","","","","","1.001","","","","has coordinates,has disorder","174392","2020-10-21","18:00:00",""
"7118416","8.299","0.016","12.11","0.02","13.39","0.03","76.13","0.02","87.13","0.03","87.08","0.03","1304","4","293","2","293","2","","","","","","","No","3","P -1","-P 1","2","2,6,10-tributylbenzo[lmn]phenanthridino[2,1,10,9-defgh][2,8]phenanthroline","2, 6,10-tributyl-1,5,9-triazacoronene","","- C33 H33 N3 -","- C33 H33 N3 -","- C66 H66 N6 -","2","1","","Qitao Tan; Huanhuan Chen; Huaida Xia; Bingxin Liu; Bin Xu","Parent and trisubstituted triazacoronenes: synthesis, crystal structure and physicochemical properties","Chem.Commun.","2016","52","","537","","","","","0.71073","MoKα","","0.1221","0.0814","","","0.2619","0.3043","","","","","","1.186","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7118417","8.3829","0.0003","18.5671","0.0005","17.8534","0.0006","90","","98.919","0.003","90","","2745.21","0.16","293","","293","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C16 H23 F12 N3 Ru Sb2 -","- C16 H23 F12 N3 Ru Sb2 -","- C64 H92 F48 N12 Ru4 Sb8 -","4","1","","Zhao, Yinsong; He, Zhen; Li, Shiqing; Tang, Junbin; Gao, Ge; Lan, Jingbo; You, Jingsong","An air-stable half-sandwich Ru(II) complex as an efficient catalyst for [3+2] annulation of 2-arylcyclo-2-enones with alkynes.","Chemical communications (Cambridge, England)","2016","52","25","4613","4616","10.1039/c5cc10169g","","x-ray","0.71073","MoKα","","0.0845","0.0539","","","0.1369","0.1561","","","","","","1.02","","","","has coordinates","181540","2020-10-21","18:00:00",""
"7118418","9.7368","0.0003","8.7212","0.0003","17.6929","0.0005","90","","97.34","0.003","90","","1490.11","0.08","293","","293","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C20 H18 O -","- C20 H18 O -","- C80 H72 O4 -","4","1","","Zhao, Yinsong; He, Zhen; Li, Shiqing; Tang, Junbin; Gao, Ge; Lan, Jingbo; You, Jingsong","An air-stable half-sandwich Ru(II) complex as an efficient catalyst for [3+2] annulation of 2-arylcyclo-2-enones with alkynes.","Chemical communications (Cambridge, England)","2016","52","25","4613","4616","10.1039/c5cc10169g","","x-ray","0.71073","MoKα","","0.0758","0.0501","","","0.1216","0.1374","","","","","","1.05","","","","has coordinates","181540","2020-10-21","18:00:00",""
"7118419","7.7687","0.0006","9.4304","0.0007","12.8027","0.001","101.342","0.001","104.75","0.001","102.507","0.001","853.44","0.11","130","","130","","","","","","","","","5","P -1","-P 1","2","","","","- C18 H14 Cl3 N S -","- C18 H14 Cl3 N S -","- C36 H28 Cl6 N2 S2 -","2","1","","Yu, Liu-Zhu; Hu, Xu-Bo; Xu, Qin; Shi, Min","Thermally induced formal [3+2] cyclization of ortho-aminoaryl-tethered alkylidenecyclopropanes: facile synthesis of furoquinoline and thienoquinoline derivatives.","Chemical communications (Cambridge, England)","2016","52","13","2701","2704","10.1039/c5cc09218c","","","0.71073","MoKα","","0.0476","0.0408","","","0.1423","0.1503","","","","","","1.178","","","","has coordinates","177633","2020-10-21","18:00:00",""
"7118420","8.277","0.0012","8.861","0.0013","20.949","0.003","78.278","0.003","83.751","0.003","64.58","0.003","1358.4","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C17 H12 Cl N O -","- C17 H12 Cl N O -","- C68 H48 Cl4 N4 O4 -","4","2","","Yu, Liu-Zhu; Hu, Xu-Bo; Xu, Qin; Shi, Min","Thermally induced formal [3+2] cyclization of ortho-aminoaryl-tethered alkylidenecyclopropanes: facile synthesis of furoquinoline and thienoquinoline derivatives.","Chemical communications (Cambridge, England)","2016","52","13","2701","2704","10.1039/c5cc09218c","","","0.71073","MoKα","","0.0669","0.0469","","","0.1163","0.1294","","","","","","1.029","","","","has coordinates","177633","2020-10-21","18:00:00",""
"7118421","7.7899","0.0017","9.516","0.002","11.134","0.002","99.138","0.005","97.433","0.005","109.903","0.005","751.1","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C17 H13 Cl2 N O -","- C17 H13 Cl2 N O -","- C34 H26 Cl4 N2 O2 -","2","1","","Yu, Liu-Zhu; Hu, Xu-Bo; Xu, Qin; Shi, Min","Thermally induced formal [3+2] cyclization of ortho-aminoaryl-tethered alkylidenecyclopropanes: facile synthesis of furoquinoline and thienoquinoline derivatives.","Chemical communications (Cambridge, England)","2016","52","13","2701","2704","10.1039/c5cc09218c","","","0.71073","MoKα","","0.0853","0.0586","","","0.151","0.1707","","","","","","1.019","","","","has coordinates","177633","2020-10-21","18:00:00",""
"7118422","10.9669","0.0003","14.7049","0.0004","13.0353","0.0009","90","","113.016","0.008","90","","1934.82","0.19","93","2","93","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H22 N2 O8 Ti -","- C18 H22 N2 O8 Ti -","- C72 H88 N8 O32 Ti4 -","4","1","","Brennan, Bradley J.; Chen, Jeffrey; Rudshteyn, Benjamin; Chaudhuri, Subhajyoti; Mercado, Brandon Q.; Batista, Victor S.; Crabtree, Robert H.; Brudvig, Gary W.","Molecular titanium-hydroxamate complexes as models for TiO2 surface binding.","Chemical communications (Cambridge, England)","2016","52","14","2972","2975","10.1039/c5cc09857b","","","0.71075","MoKα","","0.0516","0.0384","","","0.0943","0.1021","","","","","","1.056","","","","has coordinates,has disorder","177694","2020-10-21","18:00:00",""
"7118423","15.7049","0.0009","15.7049","0.0009","53.457","0.004","90","","90","","120","","11418.4","1.3","93","2","93","2","","","","","","","","6","R -3 c :H","-R 3 2""c","167","","","","- C54 H72 N6 O21 S6 Ti3 -","- C54 H72 N6 O21 S6 Ti3 -","- C324 H432 N36 O126 S36 Ti18 -","6","0.166667","","Brennan, Bradley J.; Chen, Jeffrey; Rudshteyn, Benjamin; Chaudhuri, Subhajyoti; Mercado, Brandon Q.; Batista, Victor S.; Crabtree, Robert H.; Brudvig, Gary W.","Molecular titanium-hydroxamate complexes as models for TiO2 surface binding.","Chemical communications (Cambridge, England)","2016","52","14","2972","2975","10.1039/c5cc09857b","","","0.71075","MoKα","","0.1024","0.0744","","","0.1801","0.1986","","","","","","1.037","","","","has coordinates,has disorder","177694","2020-10-21","18:00:00",""
"7118424","12.1927","0.0009","10.0654","0.0008","19.3484","0.0015","90","","102.042","0.007","90","","2322.3","0.3","93","2","93","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C36 H40 Cl8 N4 O10 Ti2 -","- C36 H40 Cl8 N4 O10 Ti2 -","- C72 H80 Cl16 N8 O20 Ti4 -","2","0.5","","Brennan, Bradley J.; Chen, Jeffrey; Rudshteyn, Benjamin; Chaudhuri, Subhajyoti; Mercado, Brandon Q.; Batista, Victor S.; Crabtree, Robert H.; Brudvig, Gary W.","Molecular titanium-hydroxamate complexes as models for TiO2 surface binding.","Chemical communications (Cambridge, England)","2016","52","14","2972","2975","10.1039/c5cc09857b","","","0.71075","MoKα","","0.1033","0.0886","","","0.2478","0.2587","","","","","","1.124","","","","has coordinates","177694","2020-10-21","18:00:00",""
"7118425","18.2657","0.0008","18.2657","0.0008","22.3708","0.0015","90","","90","","120","","6463.8","0.6","173","2","173","2","","","","","","","","3","R -3 m :H","-R 3 2""","166","","","","- C24 O25 Zn4 -","- C24 O25 Zn4 -","- C72 O75 Zn12 -","3","0.0833333","","Bai, Linyi; Tu, Binbin; Qi, Yi; Gao, Qiang; Liu, Dong; Liu, Zhizhou; Zhao, Lingzhi; Li, Qiaowei; Zhao, Yanli","Enhanced performance in gas adsorption and Li ion batteries by docking Li(+) in a crown ether-based metal-organic framework.","Chemical communications (Cambridge, England)","2016","52","14","3003","3006","10.1039/c5cc09935h","","","0.71073","MoKα","","0.147","0.0802","","","0.1782","0.1969","","","","","","1.035","","","","has coordinates","177695","2020-10-21","18:00:00",""
"7118426","16.3223","0.0006","17.6076","0.0007","18.3797","0.0008","71.478","0.0019","77.643","0.0018","67.458","0.0017","4600.3","0.3","152","2","152","2","","","","","","","","4","P -1","-P 1","2","","","","- C99 H152 Ge2 Si4 -","- C98.5 H144 Ge2 Si4 -","- C197 H288 Ge4 Si8 -","2","1","","Nieder, David; Yildiz, Cem B.; Jana, Anukul; Zimmer, Michael; Huch, Volker; Scheschkewitz, David","Dimerization of a marginally stable disilenyl germylene to tricyclic systems: evidence for reversible NHC-coordination.","Chemical communications (Cambridge, England)","2016","52","13","2799","2802","10.1039/c5cc09878e","","","0.71073","MoKα","","0.0832","0.0492","","","0.1197","0.1353","","","","","","1.032","","","","has coordinates,has disorder","177641","2020-10-21","18:00:00",""
"7118427","33.8499","0.0014","26.2285","0.0014","20.2919","0.0008","90","","97.911","0.002","90","","17844.3","1.4","133","2","133","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C95.5 H152 Ge2 Si4 -","- C95.5 H144 Ge2 Si4 -","- C764 H1152 Ge16 Si32 -","8","1","","Nieder, David; Yildiz, Cem B.; Jana, Anukul; Zimmer, Michael; Huch, Volker; Scheschkewitz, David","Dimerization of a marginally stable disilenyl germylene to tricyclic systems: evidence for reversible NHC-coordination.","Chemical communications (Cambridge, England)","2016","52","13","2799","2802","10.1039/c5cc09878e","","","0.71073","MoKα","","0.0883","0.0462","","","0.095","0.1105","","","","","","1.01","","","","has coordinates,has disorder","177641","2020-10-21","18:00:00",""
"7118428","13.9588","0.0019","8.5515","0.0011","16.218","0.002","90","","104.782","0.014","90","","1871.8","0.4","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H18 F3 N O2 -","- C22 H18 F3 N O2 -","- C88 H72 F12 N4 O8 -","4","1","","Jiang, Quanbin; Guo, Tenglong; Wu, Kaikai; Yu, Zhengkun","Rhodium(iii)-catalyzed sp(2) C-H bond addition to CF3-substituted unsaturated ketones.","Chemical communications (Cambridge, England)","2016","52","14","2913","2915","10.1039/c5cc10361d","","","0.71073","MoKα","","0.0717","0.0463","","","0.1103","0.1266","","","","","","1.021","","","","has coordinates","177689","2020-10-21","18:00:00",""
"7118429","6.826","0.0015","9.791","0.002","30.82","0.007","90","","90","","90","","2059.8","0.8","273.15","","273.15","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C18 H32 N O6 Si -","- C18 H32 N O6 Si -","- C72 H128 N4 O24 Si4 -","4","1","","Jian-Liang Ye; Yang Liu; Zhi-Ping Yang; Pei-Qiang Huang","The asymmetric total synthesis of (+)-N-acetyl norloline","Chem.Commun.","2016","52","","561","","","","","0.71073","MoKα","","0.0522","0.0464","","","0.1214","0.1251","","","","","","1.0367","","","","has coordinates","209363","2020-10-21","18:00:00",""
"7118430","8.4892","0.0007","8.7454","0.0007","14.2585","0.0011","83.179","0.007","79.851","0.007","84.564","0.007","1031.68","0.15","293","2","293.15","","","","","","","","","5","P -1","-P 1","2","","","","- C24 H21 B F2 N4 -","- C24 H21 B F2 N4 -","- C48 H42 B2 F4 N8 -","2","1","","Dan Wu; Li Shao; Yang Li; Qinglian Hu; Feihe Huang; Guocan Yu; Guping Tang","A boron difluoride dye showing the aggregation-induced emission feature and high sensitivity to intra- and extra-cellular pH changes","Chem.Commun.","2016","52","","541","","","","","0.71073","MoKα","","0.0773","0.0491","","","0.1119","0.1357","","","","","","1.041","","","","has coordinates","174460","2020-10-21","18:00:00",""
"7118431","20.474","0.004","22.468","0.004","17.673","0.003","90","","110.92","0.03","90","","7594","3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C43 H52 Ni P2 Si -","- C43 H52 Ni P2 Si -","- C344 H416 Ni8 P16 Si8 -","8","2","","LaPierre, Etienne A.; Piers, Warren E.; Spasyuk, Denis M.; Bi, David W.","Activation of Si-H bonds across the nickel carbene bond in electron rich nickel PCcarbeneP pincer complexes.","Chemical communications (Cambridge, England)","2016","52","7","1361","1364","10.1039/c5cc09349j","","","0.71073","MoKα","","0.0921","0.0603","","","0.1454","0.1794","","","","","","1.209","","","","has coordinates","174464","2020-10-21","18:00:00",""
"7118432","15.1784","0.0002","13.3439","0.0002","21.4058","0.0003","90","","110.73","0.001","90","","4054.82","0.1","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C46 H58 Ni P2 Si -","- C46 H58 Ni P2 Si -","- C184 H232 Ni4 P8 Si4 -","4","1","","LaPierre, Etienne A.; Piers, Warren E.; Spasyuk, Denis M.; Bi, David W.","Activation of Si-H bonds across the nickel carbene bond in electron rich nickel PCcarbeneP pincer complexes.","Chemical communications (Cambridge, England)","2016","52","7","1361","1364","10.1039/c5cc09349j","","","1.54178","CuKα","","0.039","0.034","","","0.0888","0.0925","","","","","","1.043","","","","has coordinates","174464","2020-10-21","18:00:00",""
"7118433","15.514","0.0004","13.3974","0.0003","21.723","0.0005","90","","112.905","0.002","90","","4159.06","0.18","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C46 H58 Ni O3 P2 Si -","- C46 H58 Ni O3 P2 Si -","- C184 H232 Ni4 O12 P8 Si4 -","4","1","","LaPierre, Etienne A.; Piers, Warren E.; Spasyuk, Denis M.; Bi, David W.","Activation of Si-H bonds across the nickel carbene bond in electron rich nickel PCcarbeneP pincer complexes.","Chemical communications (Cambridge, England)","2016","52","7","1361","1364","10.1039/c5cc09349j","","","1.54178","CuKα","","0.039","0.0347","","","0.0914","0.095","","","","","","1.064","","","","has coordinates,has disorder","174464","2020-10-21","18:00:00",""
"7118434","18.2625","0.0012","8.1482","0.0005","21.5259","0.0018","90","","93.717","0.004","90","","3196.5","0.4","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C33 H48 Ni P2 Si -","- C33 H48 Ni P2 Si -","- C132 H192 Ni4 P8 Si4 -","4","1","","LaPierre, Etienne A.; Piers, Warren E.; Spasyuk, Denis M.; Bi, David W.","Activation of Si-H bonds across the nickel carbene bond in electron rich nickel PCcarbeneP pincer complexes.","Chemical communications (Cambridge, England)","2016","52","7","1361","1364","10.1039/c5cc09349j","","","1.54178","CuKα","","0.0367","0.0316","","","0.0825","0.0862","","","","","","1.026","","","","has coordinates","174464","2020-10-21","18:00:00",""
"7118435","30.7146","0.0004","10.0835","0.0001","20.284","0.0003","90","","114.295","0.001","90","","5725.82","0.13","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C31 H42 Ni O P2 -","- C31 H42 Ni O P2 -","- C248 H336 Ni8 O8 P16 -","8","1","","LaPierre, Etienne A.; Piers, Warren E.; Spasyuk, Denis M.; Bi, David W.","Activation of Si-H bonds across the nickel carbene bond in electron rich nickel PCcarbeneP pincer complexes.","Chemical communications (Cambridge, England)","2016","52","7","1361","1364","10.1039/c5cc09349j","","","1.54178","CuKα","","0.0828","0.0777","","","0.1902","0.1996","","","","","","1.061","","","","has coordinates","174464","2020-10-21","18:00:00",""
"7118436","12.91","0.0005","15.492","0.0004","19.254","0.0006","90","","90","","90","","3850.8","0.2","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C43 H52 Ni P2 Si -","- C43 H52 Ni P2 Si -","- C172 H208 Ni4 P8 Si4 -","4","1","","LaPierre, Etienne A.; Piers, Warren E.; Spasyuk, Denis M.; Bi, David W.","Activation of Si-H bonds across the nickel carbene bond in electron rich nickel PCcarbeneP pincer complexes.","Chemical communications (Cambridge, England)","2016","52","7","1361","1364","10.1039/c5cc09349j","","","0.71073","MoKα","","0.0839","0.0601","","","0.1151","0.1314","","","","","","1.045","","","","has coordinates","174464","2020-10-21","18:00:00",""
"7118437","8.394","0.0017","9.35","0.0019","13.675","0.003","82.26","0.03","73.44","0.03","82.14","0.03","1013.9","0.4","100","2","100","2","","","","","","","","6","P -1","-P 1","2","[Fe(3MeO-SalEen)(thsa)]","","","- C20 H24 Fe N5 O3 S -","- C20 H24 Fe N5 O3 S -","- C40 H48 Fe2 N10 O6 S2 -","2","1","","Phonsri, Wasinee; Martinez, Victor; Davies, Casey G.; Jameson, Guy N. L.; Moubaraki, Boujemaa; Murray, Keith S.","Ligand effects in a heteroleptic bis-tridentate iron(iii) spin crossover complex showing a very high T1/2 value.","Chemical communications (Cambridge, England)","2016","52","7","1443","1446","10.1039/c5cc08701e","","","0.71073","synchrotron","","0.0464","0.0401","","","0.1093","0.1123","","","","","","1.074","","","","has coordinates","174465","2020-10-21","18:00:00",""
"7118438","10.0309","0.0004","16.5754","0.0006","17.784","0.0007","90","","96.069","0.002","90","","2940.3","0.2","223","2","223","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C30 H17 B F13 O3 P S -","- C30 H17 B F13 O3 P S -","- C120 H68 B4 F52 O12 P4 S4 -","4","1","","Yu, Jiangang; Kehr, Gerald; Daniliuc, Constantin G.; Erker, Gerhard","Cooperative reaction chemistry derived from a borata-diene framework.","Chemical communications (Cambridge, England)","2016","52","7","1393","1396","10.1039/c5cc07954c","","","1.54178","CuKα","","0.0705","0.0452","","","0.0987","0.111","","","","","","1.035","","","","has coordinates,has disorder","174466","2020-10-21","18:00:00",""
"7118439","11.8789","0.0006","12.5298","0.0007","12.6592","0.0006","61.284","0.003","72.907","0.003","67.981","0.003","1516.86","0.14","223","2","223","2","","","","","","","","5","P -1","-P 1","2","","","","- C29 H18 B F10 P -","- C29 H18 B F10 P -","- C58 H36 B2 F20 P2 -","2","1","","Yu, Jiangang; Kehr, Gerald; Daniliuc, Constantin G.; Erker, Gerhard","Cooperative reaction chemistry derived from a borata-diene framework.","Chemical communications (Cambridge, England)","2016","52","7","1393","1396","10.1039/c5cc07954c","","","1.54178","CuKα","","0.0647","0.0499","","","0.1297","0.1394","","","","","","1.079","","","","has coordinates","174466","2020-10-21","18:00:00",""
"7118440","12.7173","0.0003","24.4025","0.0006","16.3076","0.0004","90","","111.724","0.001","90","","4701.4","0.2","223","2","223","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C41 H19 B2 F20 P -","- C41 H19 B2 F20 P -","- C164 H76 B8 F80 P4 -","4","1","","Yu, Jiangang; Kehr, Gerald; Daniliuc, Constantin G.; Erker, Gerhard","Cooperative reaction chemistry derived from a borata-diene framework.","Chemical communications (Cambridge, England)","2016","52","7","1393","1396","10.1039/c5cc07954c","","","1.54178","CuKα","","0.0723","0.0546","","","0.1665","0.1793","","","","","","1.05","","","","has coordinates","174466","2020-10-21","18:00:00",""
"7118441","24.6726","0.0005","20.3084","0.0006","19.6095","0.0006","90","","124.093","0.001","90","","8136.8","0.4","223","2","223","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C41 H19 B2 F20 P -","- C41 H19 B2 F20 P -","- C328 H152 B16 F160 P8 -","8","1","","Yu, Jiangang; Kehr, Gerald; Daniliuc, Constantin G.; Erker, Gerhard","Cooperative reaction chemistry derived from a borata-diene framework.","Chemical communications (Cambridge, England)","2016","52","7","1393","1396","10.1039/c5cc07954c","","","1.54178","CuKα","","0.0522","0.0461","","","0.131","0.1357","","","","","","1.061","","","","has coordinates","174466","2020-10-21","18:00:00",""
"7118442","13.2593","0.0004","22.2116","0.0007","19.2412","0.0007","90","","101.101","0.002","90","","5560.7","0.3","223","2","223","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C48 H25 B2 F20 O P -","- C48 H25 B2 F20 O P -","- C192 H100 B8 F80 O4 P4 -","4","1","","Yu, Jiangang; Kehr, Gerald; Daniliuc, Constantin G.; Erker, Gerhard","Cooperative reaction chemistry derived from a borata-diene framework.","Chemical communications (Cambridge, England)","2016","52","7","1393","1396","10.1039/c5cc07954c","","","1.54178","CuKα","","0.0807","0.0538","","","0.143","0.1593","","","","","","1.052","","","","has coordinates","174466","2020-10-21","18:00:00",""
"7118443","11.3678","0.0004","11.6324","0.0004","16.8035","0.0007","70.245","0.002","82.445","0.002","79.967","0.003","2052.93","0.14","223","2","223","2","","","","","","","","6","P -1","-P 1","2","","","","- C42 H19 B2 F20 O P -","- C42 H19 B2 F20 O P -","- C84 H38 B4 F40 O2 P2 -","2","1","","Yu, Jiangang; Kehr, Gerald; Daniliuc, Constantin G.; Erker, Gerhard","Cooperative reaction chemistry derived from a borata-diene framework.","Chemical communications (Cambridge, England)","2016","52","7","1393","1396","10.1039/c5cc07954c","","","1.54178","CuKα","","0.0482","0.0465","","","0.1359","0.1379","","","","","","1.036","","","","has coordinates","174466","2020-10-21","18:00:00",""
"7118444","8.24752","0.0001","12.7555","0.00014","13.60131","0.00017","90","","100.427","0.0012","90","","1407.24","0.03","110.05","0.1","110.05","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C15 H21 N O S -","- C15 H21 N O S -","- C60 H84 N4 O4 S4 -","4","1","","Rayner, Peter J.; Smith, Joshua C.; Denneval, Charline; O'Brien, Peter; Clarke, Paul A.; Horan, Richard A. J.","Mechanistic interrogation of the asymmetric lithiation-trapping of N-thiopivaloyl azetidine and pyrrolidine.","Chemical communications (Cambridge, England)","2016","52","7","1354","1357","10.1039/c5cc08690f","","","0.71073","MoKα","","0.0377","0.033","","","0.0841","0.0879","","","","","","1.038","","","","has coordinates","174467","2020-10-21","18:00:00",""
"7118445","7.0524","0.0003","17.7693","0.0008","22.6194","0.0007","90","","90","","90","","2834.6","0.2","110","0.1","110","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C15 H21 N O S -","- C15 H21 N O S -","- C120 H168 N8 O8 S8 -","8","2","","Rayner, Peter J.; Smith, Joshua C.; Denneval, Charline; O'Brien, Peter; Clarke, Paul A.; Horan, Richard A. J.","Mechanistic interrogation of the asymmetric lithiation-trapping of N-thiopivaloyl azetidine and pyrrolidine.","Chemical communications (Cambridge, England)","2016","52","7","1354","1357","10.1039/c5cc08690f","","","0.71073","MoKα","","0.082","0.0691","","","0.165","0.1787","","","","","","1.058","","","","has coordinates","174467","2020-10-21","18:00:00",""
"7118446","6.51691","0.00018","11.9691","0.0003","29.6051","0.0008","90","","90","","90","","2309.24","0.11","110","0.14","110","0.14","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C10 H17 N O2 S -","- C10 H17 N O2 S -","- C80 H136 N8 O16 S8 -","8","2","","Rayner, Peter J.; Smith, Joshua C.; Denneval, Charline; O'Brien, Peter; Clarke, Paul A.; Horan, Richard A. J.","Mechanistic interrogation of the asymmetric lithiation-trapping of N-thiopivaloyl azetidine and pyrrolidine.","Chemical communications (Cambridge, England)","2016","52","7","1354","1357","10.1039/c5cc08690f","","x-ray","0.71073","MoKα","","0.0397","0.0352","","","0.0785","0.0807","","","","","","1.054","","","","has coordinates","174467","2020-10-21","18:00:00",""
"7118447","9.6985","0.0003","6.50545","0.00016","17.186","0.0005","90","","94.266","0.002","90","","1081.31","0.05","110.05","0.1","110.05","0.1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C9 H15 N O2 S -","- C9 H15 N O2 S -","- C36 H60 N4 O8 S4 -","4","2","","Rayner, Peter J.; Smith, Joshua C.; Denneval, Charline; O'Brien, Peter; Clarke, Paul A.; Horan, Richard A. J.","Mechanistic interrogation of the asymmetric lithiation-trapping of N-thiopivaloyl azetidine and pyrrolidine.","Chemical communications (Cambridge, England)","2016","52","7","1354","1357","10.1039/c5cc08690f","","x-ray","0.71073","MoKα","","0.047","0.0415","","","0.1003","0.1047","","","","","","1.072","","","","has coordinates","174467","2020-10-21","18:00:00",""
"7118448","10.2939","0.0005","10.7278","0.0003","14.0751","0.0007","90","","90","","90","","1554.33","0.12","103.3","","103.3","","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","(R)-3-(4-chlorophenyl)-4,4,4-trifluoro-3-(nitromethyl)-1-(thiazol-2-yl)butan-1-one","","- C14 H10 Cl F3 N2 O3 S -","- C14 H10 Cl F3 N2 O3 S -","- C56 H40 Cl4 F12 N8 O12 S4 -","4","1","","Hou, Xuhe; Ma, Hongli; Zhang, Zhenhua; Xie, Lei; Qin, Zhaohai; Fu, Bin","An efficient approach for the construction of trifluoromethylated all-carbon quaternary stereocenters: enantioselective Ni(ii)-catalyzed Michael addition of 2-acetyl azaarene to β,β-disubstituted nitroalkenes.","Chemical communications (Cambridge, England)","2016","52","7","1470","1473","10.1039/c5cc08480f","","","1.5418","CuKα","","0.0281","0.0276","","","0.0705","0.0708","","","","","","1.081","","","","has coordinates","174468","2020-10-21","18:00:00",""
"7118449","27.4838","0.0003","17.6558","0.0002","21.9216","0.0003","90","","118.269","0.001","90","","9368.7","0.2","153","2","153","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C44 H63 Cl3 N2 O0.5 P2 -","- C44 H63 Cl3 N2 O0.5 P2 -","- C352 H504 Cl24 N16 O4 P16 -","8","1","","Schwedtmann, Kai; Holthausen, Michael H.; Sala, Chris H.; Hennersdorf, Felix; Fröhlich, Roland; Weigand, Jan J.","[((Cl)Im(Dipp))P[double bond, length as m-dash]P(Dipp)][GaCl4]: a polarized, cationic diphosphene.","Chemical communications (Cambridge, England)","2016","52","7","1409","1412","10.1039/c5cc08248j","","","1.54178","CuKα","","0.0591","0.0522","","","0.1579","0.1655","","","","","","1.051","","","","has coordinates,has disorder","174469","2020-10-21","18:00:00",""
"7118450","10.7484","0.0006","13.6179","0.0007","33.6481","0.0018","90","","94.25","0.001","90","","4911.6","0.5","153","1","153","1","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C45 H56 Cl6 F Ga N2 P2 -","- C45 H56 Cl6 F Ga N2 P2 -","- C180 H224 Cl24 F4 Ga4 N8 P8 -","4","1","","Schwedtmann, Kai; Holthausen, Michael H.; Sala, Chris H.; Hennersdorf, Felix; Fröhlich, Roland; Weigand, Jan J.","[((Cl)Im(Dipp))P[double bond, length as m-dash]P(Dipp)][GaCl4]: a polarized, cationic diphosphene.","Chemical communications (Cambridge, England)","2016","52","7","1409","1412","10.1039/c5cc08248j","","","0.71073","MoKα","","0.0835","0.0663","","","0.1762","0.1849","","","","","","1.117","","","","has coordinates","174469","2020-10-21","18:00:00",""
"7118451","12.2639","0.0002","12.5384","0.0002","36.3192","0.0007","90","","99.262","0.001","90","","5511.98","0.17","153","2","153","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C53 H61 Cl3 F7 N2 O3 P2 S -","- C53 H61 Cl3 F7 N2 O3 P2 S -","- C212 H244 Cl12 F28 N8 O12 P8 S4 -","4","1","","Schwedtmann, Kai; Holthausen, Michael H.; Sala, Chris H.; Hennersdorf, Felix; Fröhlich, Roland; Weigand, Jan J.","[((Cl)Im(Dipp))P[double bond, length as m-dash]P(Dipp)][GaCl4]: a polarized, cationic diphosphene.","Chemical communications (Cambridge, England)","2016","52","7","1409","1412","10.1039/c5cc08248j","","","0.71073","MoKα","","0.077","0.0483","","","0.1453","0.1833","","","","","","1.087","","","","has coordinates,has disorder","174469","2020-10-21","18:00:00",""
"7118452","13.8028","0.0004","17.4286","0.0005","21.7529","0.0006","107.609","0.001","98.701","0.001","97.42","0.001","4844.6","0.2","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C42 H60 Cl6 Ga N2 P3 -","- C42 H60 Cl6 Ga N2 P3 -","- C168 H240 Cl24 Ga4 N8 P12 -","4","2","","Schwedtmann, Kai; Holthausen, Michael H.; Sala, Chris H.; Hennersdorf, Felix; Fröhlich, Roland; Weigand, Jan J.","[((Cl)Im(Dipp))P[double bond, length as m-dash]P(Dipp)][GaCl4]: a polarized, cationic diphosphene.","Chemical communications (Cambridge, England)","2016","52","7","1409","1412","10.1039/c5cc08248j","","","0.71073","MoKα","","0.097","0.0503","","","0.1069","0.1246","","","","","","1.007","","","","has coordinates,has disorder","174469","2020-10-21","18:00:00",""
"7118453","32.206","0.003","8.802","0.0006","30.44","0.003","90","","108.12","0.011","90","","8201.1","1.3","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C78 H58 Cu7 I6 N22 O2 -","- C78 H44 Cu7 I6 N22 O2 -","- C312 H176 Cu28 I24 N88 O8 -","4","0.5","","Jiang, Wei; Yang, Jin; Liu, Ying-Ying; Ma, Jian-Fang","Porphyrin-based mixed-valent Ag(I)/Ag(II) and Cu(I)/Cu(II) networks as efficient heterogeneous catalysts for the azide-alkyne ""click"" reaction and promising oxidation of ethylbenzene","Chemical Communications (Cambridge, United Kingdom)","2016","52","7","1373","1376","10.1039/c5cc08456c","","","0.71069","MoKα","","0.1254","0.0661","","","0.1451","0.1791","","","","","","1.014","","","","has coordinates","209776","2020-10-21","18:00:00",""
"7118454","22.375","0.0014","17.788","0.001","35.564","0.0019","90","","95.971","0.005","90","","14077.9","1.4","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C158 H108 Ag4 N42 O6 -","- C150 H102 Ag4 N44 O8 -","- C600 H408 Ag16 N176 O32 -","4","0.5","","Jiang, Wei; Yang, Jin; Liu, Ying-Ying; Ma, Jian-Fang","Porphyrin-based mixed-valent Ag(I)/Ag(II) and Cu(I)/Cu(II) networks as efficient heterogeneous catalysts for the azide-alkyne ""click"" reaction and promising oxidation of ethylbenzene","Chemical Communications (Cambridge, United Kingdom)","2016","52","7","1373","1376","10.1039/c5cc08456c","","","0.71069","MoKα","","0.1714","0.0845","","","0.199","0.2543","","","","","","1.008","","","","has coordinates","209776","2020-10-21","18:00:00",""
"7118455","7.982","0.0012","5.766","0.002","13.788","0.002","90","","100.341","0.002","90","","624.3","0.3","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C15 H13 N3 -","- C15 H13 N3 -","- C30 H26 N6 -","2","1","","Jiang, Wei; Yang, Jin; Liu, Ying-Ying; Ma, Jian-Fang","Porphyrin-based mixed-valent Ag(I)/Ag(II) and Cu(I)/Cu(II) networks as efficient heterogeneous catalysts for the azide-alkyne ""click"" reaction and promising oxidation of ethylbenzene","Chemical Communications (Cambridge, United Kingdom)","2016","52","7","1373","1376","10.1039/c5cc08456c","","","0.71069","MoKα","","0.0705","0.0512","","","0.1112","0.1308","","","","","","1.046","","","","has coordinates","209776","2020-10-21","18:00:00",""
"7118456","5.673","0.0007","15.311","0.002","15.16","0.0019","90","","103.5","0.012","90","","1280.4","0.3","293","2","293","2","","","","","","","","4","P 1 c 1","P -2yc","7","","","","- C15 H12 F N3 -","- C15 H12 F N3 -","- C60 H48 F4 N12 -","4","2","","Jiang, Wei; Yang, Jin; Liu, Ying-Ying; Ma, Jian-Fang","Porphyrin-based mixed-valent Ag(I)/Ag(II) and Cu(I)/Cu(II) networks as efficient heterogeneous catalysts for the azide-alkyne ""click"" reaction and promising oxidation of ethylbenzene","Chemical Communications (Cambridge, United Kingdom)","2016","52","7","1373","1376","10.1039/c5cc08456c","","","0.71069","MoKα","","0.1098","0.0564","","","0.1387","0.174","","","","","","1.025","","","","has coordinates,has disorder","209776","2020-10-21","18:00:00",""
"7118457","9.5019","0.0006","10.4381","0.001","18.819","0.002","93.77","0.009","102.375","0.007","116.062","0.008","1610.3","0.3","293.78","0.1","293.78","0.1","","","","","","","","5","P 1","P 1","1","","","","- C34 H33 Br N2 O7 -","- C34 H33 Br N2 O7 -","- C68 H66 Br2 N4 O14 -","2","2","","Zhang, Zhenhua; Sun, Wangsheng; Zhu, Gongming; Yang, Junxian; Zhang, Ming; Hong, Liang; Wang, Rui","Chiral phosphoric acid catalyzed enantioselective 1,3-dipolar cycloaddition reaction of azlactones.","Chemical communications (Cambridge, England)","2016","52","7","1377","1380","10.1039/c5cc08989a","","x-ray","0.71073","MoKα","","0.0973","0.0387","","","0.0685","0.0744","","","","","","0.729","","","","has coordinates","174471","2020-10-21","18:00:00",""
"7118458","13.008","0.0002","13.008","0.0002","50.2913","0.0012","90","","90","","120","","7369.6","0.2","293","2","293","2","","","","","","","","7","P 63 2 2","P 6c 2c","182","","","","- C150 H116 Cl2 Cu3 La6 N12 O56 -","- C150 H101.94 Cl2 Cu3 La6 N12 O50.01 -","- C300 H203.88 Cl4 Cu6 La12 N24 O100.02 -","2","0.166667","","Fang, Wei-Hui; Zhang, Lei; Zhang, Jian; Yang, Guo-Yu","Halogen dependent symmetry change in two series of wheel cluster organic frameworks built from La18 tertiary building units.","Chemical communications (Cambridge, England)","2016","52","7","1455","1457","10.1039/c5cc08702c","","","1.54178","CuKα","","0.0729","0.0687","","","0.1662","0.1688","","","","","","1.081","","","","has coordinates","174472","2020-10-21","18:00:00",""
"7118459","13.0109","0.0003","13.0109","0.0003","51.3152","0.0011","90","","90","","120","","7523","0.3","293","2","293","2","","","","","","","","7","P -3 c 1","-P 3 2""c","165","","","","- C150 H101 Br3 Cu4 La6 N12 O39 -","- C150 H96 Br3 Cu4 La6 N12 O39 -","- C300 H192 Br6 Cu8 La12 N24 O78 -","2","0.166667","","Fang, Wei-Hui; Zhang, Lei; Zhang, Jian; Yang, Guo-Yu","Halogen dependent symmetry change in two series of wheel cluster organic frameworks built from La18 tertiary building units.","Chemical communications (Cambridge, England)","2016","52","7","1455","1457","10.1039/c5cc08702c","","","1.54178","CuKα","","0.1062","0.0988","","","0.2553","0.2622","","","","","","1.051","","","","has coordinates","174472","2020-10-21","18:00:00",""
"7118460","13.0142","0.0003","13.0142","0.0003","51.3233","0.0011","90","","90","","120","","7528","0.3","293","2","293","2","","","","","","","","7","P -3 c 1","-P 3 2""c","165","","","","- C150 H101 Cu4 I3 La6 N12 O39 -","- C150 H96 Cu4 I3 La6 N12 O39 -","- C300 H192 Cu8 I6 La12 N24 O78 -","2","0.166667","","Fang, Wei-Hui; Zhang, Lei; Zhang, Jian; Yang, Guo-Yu","Halogen dependent symmetry change in two series of wheel cluster organic frameworks built from La18 tertiary building units.","Chemical communications (Cambridge, England)","2016","52","7","1455","1457","10.1039/c5cc08702c","","","1.54178","CuKα","","0.1036","0.0955","","","0.2446","0.2509","","","","","","1.055","","","","has coordinates","174472","2020-10-21","18:00:00",""
"7118461","17.323","0.003","22.428","0.004","15.591","0.003","90","","95.051","0.003","90","","6033.9","1.9","90","2","90","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C77.5 H46 O10.5 -","- C77.5 H46 O10.5 -","- C310 H184 O42 -","4","1","","Suzuki, Akira; Kondo, Kei; Sei, Yoshihisa; Akita, Munetaka; Yoshizawa, Michito","A fluorescent molecular capsule with a flexible polyaromatic shell for the detection of monoterpene compounds in water.","Chemical communications (Cambridge, England)","2016","52","15","3151","3154","10.1039/c5cc09647b","","","0.71073","MoK\/Ya","","0.1414","0.0791","","","0.2217","0.2674","","","","","","0.938","","","","has coordinates","177663","2020-10-21","18:00:00",""
"7118462","9.302","0.0004","15.8206","0.0005","32.7189","0.0011","90","","90","","90","","4815","0.3","200","1","200","1","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C25 H31 N3 O4 -","- C25 H31 N3 O4 -","- C200 H248 N24 O32 -","8","1","","Diedrich, D.; Hamacher, A.; Gertzen, C. G. W.; Alves Avelar, L. A.; Reiss, G. J.; Kurz, T.; Gohlke, H.; Kassack, M. U.; Hansen, F. K.","Rational design and diversity-oriented synthesis of peptoid-based selective HDAC6 inhibitors.","Chemical communications (Cambridge, England)","2016","52","15","3219","3222","10.1039/c5cc10301k","","","0.71073","MoKα","","0.1359","0.1145","","","0.1625","0.1674","","","","","","1.866","","","","has coordinates","177665","2020-10-21","18:00:00",""
"7118463","7.7764","0.0012","15.755","0.002","25.521","0.004","90","","90","","90","","3126.8","0.8","120","2","120","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C14 H20 F3 N O3 -","- C14 H20 F2.997 N O3 -","- C112 H160 F23.976 N8 O24 -","8","1","","Yagafarov, Niyaz Z.; Kolesnikov, Pavel N.; Usanov, Dmitry L.; Novikov, Valentin V.; Nelyubina, Yulia V.; Chusov, Denis","The synthesis of sterically hindered amines by a direct reductive amination of ketones.","Chemical communications (Cambridge, England)","2016","52","7","1397","1400","10.1039/c5cc08577b","","","0.71073","MoKα","","0.1015","0.0734","","","0.1742","0.185","","","","","","1.376","","","","has coordinates,has disorder","174475","2020-10-21","18:00:00",""
"7118464","14.124","0.003","15.235","0.004","17.465","0.003","87.755","0.016","69.97","0.012","89.95","0.02","3527.8","1.4","93","2","93","2","","","","","","","","5","P -1","-P 1","2","para nitro phenyl subp","tict1","","- C90 H72 B2 N8 O6 -","- C90 H72 B2 N8 O6 -","- C180 H144 B4 N16 O12 -","2","1","","Copley, Graeme; Oh, Juwon; Yoshida, Kota; Shimizu, Daiki; Kim, Dongho; Osuka, Atsuhiro","Intramolecular electron transfer reactions in meso-(4-nitrophenyl)-substituted subporphyrins.","Chemical communications (Cambridge, England)","2016","52","7","1424","1427","10.1039/c5cc09005a","","","1.54187","CuKα","","0.1453","0.1084","","","0.267","0.2952","","","","","","1.084","","","","has coordinates,has disorder","174476","2020-10-21","18:00:00",""
"7118465","17.046","0.0005","24.0462","0.0006","28.8442","0.0006","90","","90","","90","","11823","0.5","100","0.1","100","0.1","","","","","","","","6","P 2 2 21","P 2c 2","17","","","","- C104 H100 Cd2 N8 O13.63 V2 -","- C104 H100 Cd2 N8 O13.6285 V2 -","- C416 H400 Cd8 N32 O54.514 V8 -","4","1","","Bhunia, Asamanjoy; Dey, Subarna; Moreno, José María; Diaz, Urbano; Concepcion, Patricia; Van Hecke, Kristof; Janiak, Christoph; Van Der Voort, Pascal","A homochiral vanadium-salen based cadmium bpdc MOF with permanent porosity as an asymmetric catalyst in solvent-free cyanosilylation.","Chemical communications (Cambridge, England)","2016","52","7","1401","1404","10.1039/c5cc09459c","","x-ray","1.54184","CuKα","","0.0767","0.0564","","","0.1276","0.1393","","","","","","0.957","","","","has coordinates,has disorder","174477","2020-10-21","18:00:00",""
"7118466","9.8347","0.0003","10.7763","0.0004","13.371","0.0004","77.323","0.002","76.332","0.002","67.333","0.002","1257.5","0.07","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C27 H27 N3 O4 S2 -","- C27 H27 N3 O4 S2 -","- C54 H54 N6 O8 S4 -","2","1","","Chen, Yu-Ling; Sharma, Pankaj; Liu, Rai-Shung","Sulfonamide-directed gold-catalyzed [2+2+2]-cycloadditions of nitriles with two discrete ynamides to construct 2,4-diaminopyridine cores.","Chemical communications (Cambridge, England)","2016","52","15","3187","3190","10.1039/c5cc09688j","","","0.71073","MoKα","","0.054","0.0405","","","0.1182","0.1518","","","","","","1.203","","","","has coordinates","177662","2020-10-21","18:00:00",""
"7118478","14.8737","0.0004","14.8737","0.0004","24.3175","0.0008","90","","90","","120","","4658.9","0.2","100","2","100","2","","","","","","","","5","R -3 :H","-R 3","148","","[Li(DME)3]2[Th(C6H5)6]","","- C60 H90 Li2 O12 Th -","- C60 H90 Li2 O12 Th -","- C180 H270 Li6 O36 Th3 -","3","0.166667","","Elizabeth A. Pedrick; Peter Hrobarik; Lani A. Seaman; Guang Wu; Trevor W. Hayton","Synthesis, structure and bonding of hexaphenyl thorium(IV): observation of a non-octahedral structure","Chem.Commun.","2016","52","","689","","","","","0.71073","MoKα","","0.0451","0.0338","","","0.0655","0.07","","","","","","1.047","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7118479","16.5641","0.001","16.7043","0.001","21.3854","0.0012","90","","108.682","0.001","90","","5605.4","0.6","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","[Li(12-crown-4)(THF)]2[Th(C6H5)6]","","- C60 H78 Li2 O10 Th -","- C60 H78 Li2 O10 Th -","- C240 H312 Li8 O40 Th4 -","4","1","","Elizabeth A. Pedrick; Peter Hrobarik; Lani A. Seaman; Guang Wu; Trevor W. Hayton","Synthesis, structure and bonding of hexaphenyl thorium(IV): observation of a non-octahedral structure","Chem.Commun.","2016","52","","689","","","","","0.71073","MoKα","","0.0427","0.0297","","","0.0701","0.0756","","","","","","1.007","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7118480","5.6288","0.0011","12.578","0.003","41.669","0.008","90","","90","","90","","2950.1","1.1","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C36 H26 Br2 O4 -","- C36 H26 Br2 O4 -","- C144 H104 Br8 O16 -","4","1","","Zhan-Yong Wang; Ya-Li Ding; Gang Wang; Ying Cheng","Chiral N-heterocyclic carbene/Lewis acid cooperative catalysis of the reaction of 2-aroylvinylcinnamaldehydes: a switch of the reaction pathway by Lewis acid activation","Chem.Commun.","2016","52","","788","","","","","0.71073","MoKα","","0.0777","0.0698","","","0.1496","0.1646","","","","","","1.001","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7118481","9.263","0.0012","12.8186","0.0016","22.369","0.003","90","","90","","90","","2656.1","0.6","173","2","173","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C36 H28 O4 -","- C36 H28 O4 -","- C144 H112 O16 -","4","1","","Zhan-Yong Wang; Ya-Li Ding; Gang Wang; Ying Cheng","Chiral N-heterocyclic carbene/Lewis acid cooperative catalysis of the reaction of 2-aroylvinylcinnamaldehydes: a switch of the reaction pathway by Lewis acid activation","Chem.Commun.","2016","52","","788","","","","","1.54187","CuKα","","0.0275","0.0269","","","0.0703","0.0707","","","","","","1.045","","","","has coordinates","174541","2020-10-21","18:00:00",""
"7118482","5.5911","0.0018","13.004","0.004","40.623","0.013","90","","90","","90","","2953.6","1.6","113","2","113","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C36 H26 Br2 O4 -","- C36 H26 Br2 O4 -","- C144 H104 Br8 O16 -","4","1","","Zhan-Yong Wang; Ya-Li Ding; Gang Wang; Ying Cheng","Chiral N-heterocyclic carbene/Lewis acid cooperative catalysis of the reaction of 2-aroylvinylcinnamaldehydes: a switch of the reaction pathway by Lewis acid activation","Chem.Commun.","2016","52","","788","","","","","0.71075","MoKα","","0.0574","0.0388","","","0.0641","0.0701","","","","","","0.931","","","","has coordinates","174541","2020-10-21","18:00:00",""
"7118484","21.0859","0.0012","8.8941","0.0005","8.6908","0.0005","90","","110.448","0.0018","90","","1527.18","0.15","120","2","120","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","3',5'-Diethyl-2,2':6',2''-terpyridine","","- C19 H21 N3 -","- C19 H21 N3 -","- C76 H84 N12 -","4","0.5","","Hong, Seung Youn; Kwak, Jaesung; Chang, Sukbok","Rhodium-catalyzed selective CH functionalization of NNN tridentate chelating compounds via a rollover pathway.","Chemical communications (Cambridge, England)","2016","52","15","3159","3162","10.1039/c5cc09960a","","","0.71073","MoKα","","0.0611","0.0506","","","0.1442","0.1534","","","","","","1.094","","","","has coordinates","177649","2020-10-21","18:00:00",""
"7118485","30.5673","0.0018","9.9939","0.0005","8.7408","0.0006","90","","106.271","0.002","90","","2563.2","0.3","120","2","120","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","3',5'-Bis(2-cyclohexylethyl)-2,2':6',2''-terpyridine","","- C31 H39 N3 -","- C31 H39 N3 -","- C124 H156 N12 -","4","0.5","","Hong, Seung Youn; Kwak, Jaesung; Chang, Sukbok","Rhodium-catalyzed selective CH functionalization of NNN tridentate chelating compounds via a rollover pathway.","Chemical communications (Cambridge, England)","2016","52","15","3159","3162","10.1039/c5cc09960a","","","0.71073","MoKα","","0.1235","0.075","","","0.2059","0.2414","","","","","","1.047","","","","has coordinates","177649","2020-10-21","18:00:00",""
"7118486","6.0936","0.0012","8.4244","0.0017","26.374","0.005","90","","90","","90","","1353.9","0.5","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C15 H15 Cl N2 O -","- C15 H15 Cl N2 O -","- C60 H60 Cl4 N8 O4 -","4","1","","Feng, Qi; Li, Yuanyuan; Wang, Lili; Li, Chen; Wang, Jinmin; Liu, Yuanyuan; Li, Kai; Hou, Hongwei","Multiple-color aggregation-induced emission (AIE) molecules as chemodosimeters for pH sensing.","Chemical communications (Cambridge, England)","2016","52","15","3123","3126","10.1039/c5cc10423h","","","0.71073","MoKα","","0.1296","0.0888","","","0.1309","0.1505","","","","","","1.11","","","","has coordinates","177654","2020-10-21","18:00:00",""
"7118487","14.9189","0.0013","5.968","0.0005","20.9971","0.0018","90","","130.968","0.003","90","","1411.6","0.2","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H18 N2 O2 -","- C16 H18 N2 O2 -","- C64 H72 N8 O8 -","4","1","","Feng, Qi; Li, Yuanyuan; Wang, Lili; Li, Chen; Wang, Jinmin; Liu, Yuanyuan; Li, Kai; Hou, Hongwei","Multiple-color aggregation-induced emission (AIE) molecules as chemodosimeters for pH sensing.","Chemical communications (Cambridge, England)","2016","52","15","3123","3126","10.1039/c5cc10423h","","","0.71073","MoKα","","0.0929","0.0492","","","0.1095","0.1304","","","","","","1.052","","","","has coordinates","177654","2020-10-21","18:00:00",""
"7118488","11.278","0.002","8.2043","0.0016","27.475","0.006","90","","90","","90","","2542.2","0.9","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C15 H16 N2 O -","- C15 H16 N2 O -","- C120 H128 N16 O8 -","8","1","","Feng, Qi; Li, Yuanyuan; Wang, Lili; Li, Chen; Wang, Jinmin; Liu, Yuanyuan; Li, Kai; Hou, Hongwei","Multiple-color aggregation-induced emission (AIE) molecules as chemodosimeters for pH sensing.","Chemical communications (Cambridge, England)","2016","52","15","3123","3126","10.1039/c5cc10423h","","","0.71073","MoKα","","0.1461","0.094","","","0.1812","0.2099","","","","","","1.179","","","","has coordinates","177654","2020-10-21","18:00:00",""
"7118489","26.956","0.004","26.956","0.004","39.145","0.008","90","","90","","90","","28444","8","293","2","253","2","","","","","","","","5","P 4/m n c","-P 4 2n","128","","","","- C78 H121 Cu6 N17 O54 -","- C54 H21 Cu6 N9 O30 -","- C432 H168 Cu48 N72 O240 -","8","0.5","","Liu, Bing; Yao, Shuo; Shi, Chao; Li, Guanghua; Huo, Qisheng; Liu, Yunling","Significant enhancement of gas uptake capacity and selectivity via the judicious increase of open metal sites and Lewis basic sites within two polyhedron-based metal-organic frameworks.","Chemical communications (Cambridge, England)","2016","52","15","3223","3226","10.1039/c5cc09922f","","","0.71073","MoKα","","0.1246","0.0856","","","0.2344","0.2587","","","","","","0.934","","","","has coordinates","177660","2020-10-21","18:00:00",""
"7118490","27.405","0.004","27.405","0.004","39.362","0.008","90","","90","","90","","29562","9","100","2","100","2","","","","","","","","5","P 4/m n c","-P 4 2n","128","","","","- C87 H126 Cu6 N20 O48 -","- C62 H33 Cu6 N11 O28 -","- C496 H264 Cu48 N88 O224 -","8","0.5","","Liu, Bing; Yao, Shuo; Shi, Chao; Li, Guanghua; Huo, Qisheng; Liu, Yunling","Significant enhancement of gas uptake capacity and selectivity via the judicious increase of open metal sites and Lewis basic sites within two polyhedron-based metal-organic frameworks.","Chemical communications (Cambridge, England)","2016","52","15","3223","3226","10.1039/c5cc09922f","","","0.71073","MoKα","","0.0866","0.072","","","0.1896","0.2002","","","","","","0.982","","","","has coordinates,has disorder","177660","2020-10-21","18:00:00",""
"7118491","8.5843","0.0012","8.5843","0.0012","21.69","0.004","90","","90","","120","","1384.2","0.4","296","2","296","2","","","","","","","","5","P 63/m m c","-P 6c 2c","194","","Methyl Ammonium Bismuth iodide","","- C3 H18 Bi2 I9 N3 -","- C2.9998 H17.9994 Bi2 I9 N3 -","- C5.9996 H35.9988 Bi4 I18 N6 -","2","0.0833333","","Eckhardt, Kai; Bon, Volodymyr; Getzschmann, Jürgen; Grothe, Julia; Wisser, Florian M.; Kaskel, Stefan","Crystallographic insights into (CH3NH3)3(Bi2I9): a new lead-free hybrid organic-inorganic material as a potential absorber for photovoltaics.","Chemical communications (Cambridge, England)","2016","52","14","3058","3060","10.1039/c5cc10455f","","","0.71073","MoKα","","0.0945","0.0453","","","0.108","0.125","","","","","","0.865","","","","has coordinates,has disorder","177688","2020-10-21","18:00:00",""
"7118492","21.876","0.003","22.174","0.003","15.3753","0.0018","90","","130.23","0.004","90","","5694","1.3","296","2","296","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C18 H12 O4 -","- C18 H12 O4 -","- C288 H192 O64 -","16","2","","Reddy, Baddigam Kiran; Gadekar, Santosh C.; Anand, Venkataramanarao G.","The synthesis and characterization of the meso-meso linked antiaromatic tetraoxa isophlorin dimer.","Chemical communications (Cambridge, England)","2016","52","14","3007","3009","10.1039/c5cc10370c","","","0.71073","MoKα","","0.0791","0.0532","","","0.1592","0.1799","","","","","","1.222","","","","has coordinates","177693","2020-10-21","18:00:00",""
"7118493","35.203","0.006","55.389","0.009","12.2274","0.0019","90","","90","","90","","23842","7","100","2","100","2","","","","","","","","4","F d d 2","F 2 -2d","43","","","","- C98 H14 F10 O4 -","- C98 H14 F10 O4 -","- C1568 H224 F160 O64 -","16","1","","Reddy, Baddigam Kiran; Gadekar, Santosh C.; Anand, Venkataramanarao G.","The synthesis and characterization of the meso-meso linked antiaromatic tetraoxa isophlorin dimer.","Chemical communications (Cambridge, England)","2016","52","14","3007","3009","10.1039/c5cc10370c","","","0.71073","MoKα","","0.1225","0.0678","","","0.1396","0.1573","","","","","","0.971","","","","has coordinates","177693","2020-10-21","18:00:00",""
"7118494","57.756","0.006","57.756","0.006","57.756","0.006","90","","90","","90","","192660","3","100","2","100","2","","","","","","","","4","F d -3","-F 2uv 2vw 3","203","","","","- C84.86 H11.14 F8.57 O3.43 -","- C84.8571 H11.1429 F8.57143 O3.42857 -","- C9504 H1248 F960 O384 -","112","","","Reddy, Baddigam Kiran; Gadekar, Santosh C.; Anand, Venkataramanarao G.","The synthesis and characterization of the meso-meso linked antiaromatic tetraoxa isophlorin dimer.","Chemical communications (Cambridge, England)","2016","52","14","3007","3009","10.1039/c5cc10370c","","","0.71073","MoKα","","0.194","0.1296","","","0.3647","0.4364","","","","","","1.557","","","","has coordinates","177693","2020-10-21","18:00:00",""
"7118495","9.6614","0.0002","9.005","0.0002","18.1004","0.0004","90","","91.9684","0.0013","90","","1573.82","0.06","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C18 H19 N O3 -","- C18 H19 N O3 -","- C72 H76 N4 O12 -","4","1","","Ramakrishna, Isai; Sahoo, Harekrishna; Baidya, Mahiuddin","Brønsted acid mediated N-O bond cleavage for α-amination of ketones through the aromatic nitroso aldol reaction.","Chemical communications (Cambridge, England)","2016","52","15","3215","3218","10.1039/c5cc10102f","","","0.71073","MoKα","","0.0559","0.0408","","","0.1077","0.1188","","","","","","1.046","","","","has coordinates","177656","2020-10-21","18:00:00",""
"7118496","9.0979","0.0002","9.836","0.0002","17.0069","0.0004","90","","102.321","0.0011","90","","1486.84","0.06","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H16 N2 S -","- C17 H16 N2 S -","- C68 H64 N8 S4 -","4","1","","Ramakrishna, Isai; Sahoo, Harekrishna; Baidya, Mahiuddin","Brønsted acid mediated N-O bond cleavage for α-amination of ketones through the aromatic nitroso aldol reaction.","Chemical communications (Cambridge, England)","2016","52","15","3215","3218","10.1039/c5cc10102f","","","0.71073","MoKα","","0.0418","0.0343","","","0.0897","0.0969","","","","","","1.049","","","","has coordinates","177656","2020-10-21","18:00:00",""
"7118497","12.4037","0.0004","9.4552","0.0003","13.0281","0.0005","90","","100.594","0.0017","90","","1501.88","0.09","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C16 H16 Br N O -","- C16 H16 Br N O -","- C64 H64 Br4 N4 O4 -","4","1","","Ramakrishna, Isai; Sahoo, Harekrishna; Baidya, Mahiuddin","Brønsted acid mediated N-O bond cleavage for α-amination of ketones through the aromatic nitroso aldol reaction.","Chemical communications (Cambridge, England)","2016","52","15","3215","3218","10.1039/c5cc10102f","","","0.71073","MoKα","","0.0663","0.042","","","0.0952","0.1063","","","","","","1.035","","","","has coordinates","177656","2020-10-21","18:00:00",""
"7118498","8.9551","0.0004","9.4163","0.0006","14.8711","0.0009","90","","95.037","0.002","90","","1249.15","0.12","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C15 H15 N O -","- C15 H15 N O -","- C60 H60 N4 O4 -","4","1","","Ramakrishna, Isai; Sahoo, Harekrishna; Baidya, Mahiuddin","Brønsted acid mediated N-O bond cleavage for α-amination of ketones through the aromatic nitroso aldol reaction.","Chemical communications (Cambridge, England)","2016","52","15","3215","3218","10.1039/c5cc10102f","","","0.71073","MoKα","","0.0624","0.0394","","","0.0992","0.11","","","","","","1.048","","","","has coordinates","177656","2020-10-21","18:00:00",""
"7118499","24.5419","0.0006","22.54","0.0006","25.4485","0.0007","90","","111.767","0.002","90","","13073.7","0.6","100","2","296","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C61 H52 B F8 N4 O10 Ru2 S2 -","- C61 H52 B F8 N4 O10 Ru2 S2 -","- C488 H416 B8 F64 N32 O80 Ru16 S16 -","8","1","","Gupta, Gajendra; Das, Abhishek; Ghate, Nikhil Baban; Kim, Takhyeon; Ryu, Ji Yeon; Lee, Junseong; Mandal, Nripendranath; Lee, Chang Yeon","Novel BODIPY-based Ru(ii) and Ir(iii) metalla-rectangles: cellular localization of compounds and their antiproliferative activities.","Chemical communications (Cambridge, England)","2016","52","23","4274","4277","10.1039/c6cc00046k","","","0.71073","MoKα","","0.0956","0.0746","","","0.1967","0.2072","","","","","","1.049","","","","has coordinates,has disorder","181571","2020-10-21","18:00:00",""
"7118500","24.488","0.002","24.507","0.003","25.043","0.004","60.821","0.009","61.007","0.009","60.124","0.005","10782","3","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C126.67 B2 F8 N8 O12.67 Ru4 S2 -","- C130 B2 F8 N8 O12.6667 Ru4 S2 -","- C390 B6 F24 N24 O38 Ru12 S6 -","3","1.5","","Gupta, Gajendra; Das, Abhishek; Ghate, Nikhil Baban; Kim, Takhyeon; Ryu, Ji Yeon; Lee, Junseong; Mandal, Nripendranath; Lee, Chang Yeon","Novel BODIPY-based Ru(ii) and Ir(iii) metalla-rectangles: cellular localization of compounds and their antiproliferative activities.","Chemical communications (Cambridge, England)","2016","52","23","4274","4277","10.1039/c6cc00046k","","","0.71073","MoKα","","0.325","0.2233","","","0.4644","0.5047","","","","","","2.513","","","","has coordinates","181571","2020-10-21","18:00:00",""
"7118501","20.4184","0.0009","19.7746","0.0009","20.8298","0.0009","90","","113.735","0.002","90","","7699","0.6","100","2","100","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C67 H75 B F5 Ir2 N4 O9 S -","- C67 H75 B F5 Ir2 N4 O9 S -","- C268 H300 B4 F20 Ir8 N16 O36 S4 -","4","1","","Gupta, Gajendra; Das, Abhishek; Ghate, Nikhil Baban; Kim, Takhyeon; Ryu, Ji Yeon; Lee, Junseong; Mandal, Nripendranath; Lee, Chang Yeon","Novel BODIPY-based Ru(ii) and Ir(iii) metalla-rectangles: cellular localization of compounds and their antiproliferative activities.","Chemical communications (Cambridge, England)","2016","52","23","4274","4277","10.1039/c6cc00046k","","","0.71073","MoKα","","0.1262","0.0851","","","0.2121","0.2347","","","","","","1.054","","","","has coordinates","181571","2020-10-21","18:00:00",""
"7118502","9.703","0.0006","10.0809","0.001","11.7856","0.0009","68.569","0.008","80.101","0.006","67.458","0.008","990.43","0.16","293","2","293.15","","","","","","","","","4","P -1","-P 1","2","Methyl 2-(4-bromophenyl)-4,5-diphenylfuran-3-carboxylate","wip2014-9-3","","- C24 H17 Br O3 -","- C24 H17 Br O3 -","- C48 H34 Br2 O6 -","2","1","","Wu, Jiaping; Wang, Dongxu; Wan, Yanjun; Ma, Cheng","Rhodium-catalyzed tunable oxidative cyclization toward the selective synthesis of α-pyrones and furans.","Chemical communications (Cambridge, England)","2016","52","8","1661","1664","10.1039/c5cc09137c","","","0.71073","MoKα","","0.0604","0.041","","","0.0778","0.0879","","","","","","1.062","","","","has coordinates","174637","2020-10-21","18:00:00",""
"7118503","10.9313","0.0006","18.7544","0.0011","9.2937","0.0007","90","","105.181","0.006","90","","1838.8","0.2","293","2","293.15","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","Ethyl 4-(4-methoxyphenyl)-6-methyl-2-oxo-3-phenyl-2H-pyran-5-carboxylate","wjp2014-7-4-OCH3","","- C22 H20 O5 -","- C22 H20 O5 -","- C88 H80 O20 -","4","1","","Wu, Jiaping; Wang, Dongxu; Wan, Yanjun; Ma, Cheng","Rhodium-catalyzed tunable oxidative cyclization toward the selective synthesis of α-pyrones and furans.","Chemical communications (Cambridge, England)","2016","52","8","1661","1664","10.1039/c5cc09137c","","","0.71073","MoKα","","0.0748","0.0499","","","0.1157","0.1313","","","","","","1.033","","","","has coordinates","174637","2020-10-21","18:00:00",""
"7118504","9.2716","0.0005","11.6329","0.0006","17.2262","0.0009","90","","90","","90","","1857.94","0.17","293","2","293.15","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","wjp2014_10_9","tert-butyl 2-methyl-5-phenyl-4-(thiophen-2-yl)furan-3-carboxylate","","- C20 H20 O3 S -","- C20 H20 O3 S -","- C80 H80 O12 S4 -","4","1","","Wu, Jiaping; Wang, Dongxu; Wan, Yanjun; Ma, Cheng","Rhodium-catalyzed tunable oxidative cyclization toward the selective synthesis of α-pyrones and furans.","Chemical communications (Cambridge, England)","2016","52","8","1661","1664","10.1039/c5cc09137c","","","0.71073","MoKα","","0.064","0.0428","","","0.1051","0.1175","","","","","","1.018","","","","has coordinates,has disorder","174637","2020-10-21","18:00:00",""
"7118505","21.4013","0.0008","21.4013","0.0008","7.1696","0.0005","90","","90","","120","","2843.8","0.2","293","2","293","2","","","","","","","","6","P 63","P 6c","173","","","","- C1.33 H9.77 Al B5 N1.33 O10.88 -","- C1.33333 H9 Al B5 N1.33333 O10.8833 -","- C8 H54 Al6 B30 N8 O65.3 -","6","1","","Cao, Gao-Juan; Wei, Qi; Cheng, Jian-Wen; Cheng, Lin; Yang, Guo-Yu","A zeolite CAN-type aluminoborate with gigantic 24-ring channels.","Chemical communications (Cambridge, England)","2016","52","8","1729","1732","10.1039/c5cc08164e","","","0.71073","MoKα","","0.0571","0.0532","","","0.1626","0.1664","","","","","","1.087","","","","has coordinates,has disorder","174638","2020-10-21","18:00:00",""
"7118506","28.118","0.0013","14.1732","0.0006","19.5603","0.0011","90","","106.288","0.005","90","","7482.3","0.7","170","","170","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C38 H43 Cl3 O8 -","- C38 H43 Cl3 O8 -","- C304 H344 Cl24 O64 -","8","1","","Zhou, Jiong; Yang, Jie; Hua, Bin; Shao, Li; Zhang, Zhihua; Yu, Guocan","The synthesis, structure, and molecular recognition properties of a [2]calix[1]biphenyl-type hybrid[3]arene.","Chemical communications (Cambridge, England)","2016","52","8","1622","1624","10.1039/c5cc09088a","","","0.71073","MoKα","","0.0987","0.0536","","","0.1224","0.143","","","","","","1.02","","","","has coordinates","174639","2020-10-21","18:00:00",""
"7118507","14.4786","0.0002","11.9118","0.0001","21.7475","0.0002","90","","98.8187","0.0008","90","","3706.37","0.07","100","2","100","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C34 H40 Cl2 F3 Ir2 N5 O3 S -","- C34 H40 Cl2 F3 Ir2 N5 O3 S -","- C136 H160 Cl8 F12 Ir8 N20 O12 S4 -","4","1","","Valencia, Marta; Müller-Bunz, Helge; Gossage, Robert A.; Albrecht, Martin","Enhanced product selectivity promoted by remote metal coordination in acceptor-free alcohol dehydrogenation catalysis.","Chemical communications (Cambridge, England)","2016","52","16","3344","3347","10.1039/c6cc00267f","","","0.71073","MoKα","","0.0253","0.0219","","","0.0463","0.0477","","","","","","1.081","","","","has coordinates","177668","2020-10-21","18:00:00",""
"7118508","14.4611","0.0007","8.8412","0.0005","24.209","0.001","90","","94.954","0.004","90","","3083.6","0.3","100","2","100","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C25 H27 Cl F6 Ir N5 O6 S2 -","- C25 H27 Cl F6 Ir N5 O6 S2 -","- C100 H108 Cl4 F24 Ir4 N20 O24 S8 -","4","1","","Valencia, Marta; Müller-Bunz, Helge; Gossage, Robert A.; Albrecht, Martin","Enhanced product selectivity promoted by remote metal coordination in acceptor-free alcohol dehydrogenation catalysis.","Chemical communications (Cambridge, England)","2016","52","16","3344","3347","10.1039/c6cc00267f","","","1.54184","CuKα","","0.0635","0.0487","","","0.1208","0.1318","","","","","","1.025","","","","has coordinates","177668","2020-10-21","18:00:00",""
"7118509","23.831","0.005","20.716","0.004","29.555","0.006","90","","90.75","0.03","90","","14590","5","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C110 H78 N4 O56 S6 U8 -","- C110 H78 N4 O56 S6 U8 -","- C440 H312 N16 O224 S24 U32 -","4","1","","An, Shu-Wen; Mei, Lei; Hu, Kong-Qiu; Xia, Chuan-Qin; Chai, Zhi-Fang; Shi, Wei-Qun","The templated synthesis of a unique type of tetra-nuclear uranyl-mediated two-fold interpenetrating uranyl-organic framework.","Chemical communications (Cambridge, England)","2016","52","8","1641","1644","10.1039/c5cc09314g","","","0.71073","MoKα","","0.0883","0.0814","","","0.2333","0.2416","","","","","","1.028","","","","has coordinates","174641","2020-10-21","18:00:00",""
"7118510","10.523","0.002","11.866","0.002","29.288","0.006","90.81","0.03","92.91","0.03","92.71","0.03","3647.8","1.2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C55 H29 N2 O28 S3 U4 -","- C55 H29 N2 O28 S3 U4 -","- C110 H58 N4 O56 S6 U8 -","2","1","","An, Shu-Wen; Mei, Lei; Hu, Kong-Qiu; Xia, Chuan-Qin; Chai, Zhi-Fang; Shi, Wei-Qun","The templated synthesis of a unique type of tetra-nuclear uranyl-mediated two-fold interpenetrating uranyl-organic framework.","Chemical communications (Cambridge, England)","2016","52","8","1641","1644","10.1039/c5cc09314g","","","0.71073","MoKα","","0.066","0.0513","","","0.14","0.1494","","","","","","1.121","","","","has coordinates,has disorder","174641","2020-10-21","18:00:00",""
"7118511","13.9571","0.0006","14.1969","0.0006","18.5023","0.0008","90","","102.735","0.0015","90","","3576","0.3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C42 H37 Cl3 N2 Pt -","- C42 H37 Cl3 N2 Pt -","- C168 H148 Cl12 N8 Pt4 -","4","1","","Juliá, Fabio; Bautista, Delia; González-Herrero, Pablo","Developing strongly luminescent platinum(iv) complexes: facile synthesis of bis-cyclometalated neutral emitters.","Chemical communications (Cambridge, England)","2016","52","8","1657","1660","10.1039/c5cc09566b","","","0.71073","MoKα","","0.0218","0.0175","","","0.0376","0.0389","","","","","","1.05","","","","has coordinates","288195","2023-12-08","17:36:04",""
"7118512","10.0073","0.0006","21.4773","0.0012","11.0633","0.0006","90","","109.939","0.0019","90","","2235.3","0.2","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C25 H23 Cl N2 O2 Pt -","- C25 H23 Cl N2 O2 Pt -","- C100 H92 Cl4 N8 O8 Pt4 -","4","1","","Juliá, Fabio; Bautista, Delia; González-Herrero, Pablo","Developing strongly luminescent platinum(iv) complexes: facile synthesis of bis-cyclometalated neutral emitters.","Chemical communications (Cambridge, England)","2016","52","8","1657","1660","10.1039/c5cc09566b","","","0.71073","MoKα","","0.0552","0.0343","","","0.0489","0.0527","","","","","","1.054","","","","has coordinates","174642","2020-10-21","18:00:00",""
"7118513","26.587","0.003","40.68","0.004","6.9773","0.0007","90","","90","","90","","7546.4","1.4","100","2","100","2","","","","","","","","5","F d d 2","F 2 -2d","43","","","","- C23 H19 Cl N2 Pt -","- C23 H19 Cl N2 Pt -","- C368 H304 Cl16 N32 Pt16 -","16","1","","Juliá, Fabio; Bautista, Delia; González-Herrero, Pablo","Developing strongly luminescent platinum(iv) complexes: facile synthesis of bis-cyclometalated neutral emitters.","Chemical communications (Cambridge, England)","2016","52","8","1657","1660","10.1039/c5cc09566b","","","0.71073","MoKα","","0.0313","0.0233","","","0.0357","0.037","","","","","","1.059","","","","has coordinates","174642","2020-10-21","18:00:00",""
"7118514","8.87","0.0005","10.7659","0.0006","12.1232","0.0006","99.7042","0.0016","109.505","0.0015","104.886","0.0016","1012.69","0.1","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C23 H15 Cl F4 N2 Pt -","- C23 H15 Cl F4 N2 Pt -","- C46 H30 Cl2 F8 N4 Pt2 -","2","1","","Juliá, Fabio; Bautista, Delia; González-Herrero, Pablo","Developing strongly luminescent platinum(iv) complexes: facile synthesis of bis-cyclometalated neutral emitters.","Chemical communications (Cambridge, England)","2016","52","8","1657","1660","10.1039/c5cc09566b","","","0.71073","MoKα","","0.0182","0.0162","","","0.0383","0.0388","","","","","","1.078","","","","has coordinates","174642","2020-10-21","18:00:00",""
"7118515","8.81","0.003","14.662","0.005","22.745","0.007","101.843","0.009","100.698","0.008","101.743","0.007","2734.9","1.6","124","2","124","2","","","","","","","","6","P -1","-P 1","2","","","","- C44 H32 F18 N9 P3 Ru -","- C44 H32 F18 N9 P3 Ru -","- C88 H64 F36 N18 P6 Ru2 -","2","1","","Gupta, Suraj K.; Choudhury, Joyanta","A remote coordination booster enhances the catalytic efficiency by accelerating the generation of an active catalyst.","Chemical communications (Cambridge, England)","2016","52","16","3384","3387","10.1039/c6cc00157b","","","0.71073","MoKα","","0.2019","0.1024","","","0.2466","0.2798","","","","","","0.982","","","","has coordinates","177671","2020-10-21","18:00:00",""
"7118516","8.7665","0.0007","12.4009","0.0011","37.66","0.003","81.692","0.004","84.839","0.004","78.866","0.004","3966.8","0.6","140","2","140","2","","","","","","","","8","P -1","-P 1","2","","","","- C55 H46 F21 N14 O3 P3 Ru2 S -","- C55 H46 F21 N14 O3 P3 Ru2 S -","- C110 H92 F42 N28 O6 P6 Ru4 S2 -","2","1","","Gupta, Suraj K.; Choudhury, Joyanta","A remote coordination booster enhances the catalytic efficiency by accelerating the generation of an active catalyst.","Chemical communications (Cambridge, England)","2016","52","16","3384","3387","10.1039/c6cc00157b","","","0.71073","MoKα","","0.1087","0.0829","","","0.1851","0.1976","","","","","","1.095","","","","has coordinates","177671","2020-10-21","18:00:00",""
"7118517","5.498","0.005","9.083","0.008","16.538","0.015","90","","92.524","0.01","90","","825.1","1.3","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C21 H15 F2 N O -","- C21 H15 F2 N O -","- C42 H30 F4 N2 O2 -","2","1","","Wan, Wen; Ma, Guobin; Li, Jialiang; Chen, Yunrong; Hu, Qingyang; Li, Minjie; Jiang, Haizhen; Deng, Hongmei; Hao, Jian","Silver-catalyzed oxidative decarboxylation of difluoroacetates: efficient access to C-CF2 bond formation.","Chemical communications (Cambridge, England)","2016","52","8","1598","1601","10.1039/c5cc09179a","","","0.71073","MoKα","","0.0354","0.0311","","","0.0536","0.0549","","","","","","1.603","","","","has coordinates","174644","2020-10-21","18:00:00",""
"7118518","21.6754","0.0006","11.3153","0.0003","12.8588","0.0003","90","","102.895","0.002","90","","3074.26","0.14","173.15","","173.15","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","dichloro[diphenyl-(2-pyridyl)phosphine-1-N]zinc(II)","","- C34 H28 Cl2 N2 P2 Zn -","- C34 H28 Cl2 N2 P2 Zn -","- C136 H112 Cl8 N8 P8 Zn4 -","4","0.5","","Donovan, Elizabeth S.; Barry, Brian M.; Larsen, Christopher A.; Wirtz, Melissa N.; Geiger, William E.; Kemp, Richard A.","Facilitated carbon dioxide reduction using a Zn(ii) complex.","Chemical communications (Cambridge, England)","2016","52","8","1685","1688","10.1039/c5cc07318a","","","0.71073","MoKα","","0.064","0.0359","","","0.0654","0.0741","","","","","","1.026","","","","has coordinates","174645","2020-10-21","18:00:00",""
"7118519","16.0669","0.0005","12.254","0.0004","19.5763","0.0007","90","","98.966","0.002","90","","3807.2","0.2","173","2","173.15","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","dichloro[phenyldi(2-pyridyl)phosphine-2-N,N]zinc(II)","","- C36 H34 Cl4 N4 O P2 Zn2 -","- C36 H34 Cl4 N4 O P2 Zn2 -","- C144 H136 Cl16 N16 O4 P8 Zn8 -","4","1","","Donovan, Elizabeth S.; Barry, Brian M.; Larsen, Christopher A.; Wirtz, Melissa N.; Geiger, William E.; Kemp, Richard A.","Facilitated carbon dioxide reduction using a Zn(ii) complex.","Chemical communications (Cambridge, England)","2016","52","8","1685","1688","10.1039/c5cc07318a","","","0.71073","MoKα","","0.1165","0.0629","","","0.1515","0.1727","","","","","","1.071","","","","has coordinates,has disorder","174645","2020-10-21","18:00:00",""
"7118520","12.1574","0.0018","16.907","0.003","23.516","0.004","110.972","0.003","94.49","0.003","95.764","0.003","4456.5","1.3","173","2","173.15","","","","","","","","","6","P -1","-P 1","2","","","","- C95 H124 B4 Ge2 N4 O5 -","- C95 H124 B4 Ge2 N4 O5 -","- C190 H248 B8 Ge4 N8 O10 -","2","1","","Wu, Yile; Liu, Liu; Su, Jue; Yan, Kaili; Zhu, Jun; Zhao, Yufen","Synthesis of digermylene-stabilized linear tetraboronate and boroxine.","Chemical communications (Cambridge, England)","2016","52","8","1582","1585","10.1039/c5cc09330a","","","0.71073","MoKα","","0.1034","0.0762","","","0.2011","0.2314","","","","","","1.023","","","","has coordinates,has disorder","174646","2020-10-21","18:00:00",""
"7118521","13.192","0.008","24.045","","13.298","","90","","93.46","0.02","90","","4210","3","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C67 H95 B3 Ge2 N4 O5 -","- C67 H95 B3 Ge2 N4 O5 -","- C134 H190 B6 Ge4 N8 O10 -","2","1","","Wu, Yile; Liu, Liu; Su, Jue; Yan, Kaili; Zhu, Jun; Zhao, Yufen","Synthesis of digermylene-stabilized linear tetraboronate and boroxine.","Chemical communications (Cambridge, England)","2016","52","8","1582","1585","10.1039/c5cc09330a","","","0.71073","MoKα","","0.1269","0.0793","","","0.1881","0.2176","","","","","","0.921","","","","has coordinates","174646","2020-10-21","18:00:00",""
"7118522","13.605","0.006","14.004","0.006","19.843","0.011","90","","90.69","0.04","90","","3780","3","273","2","273","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C41 H51 B Ge N2 O2 -","- C41 H51 B Ge N2 O2 -","- C164 H204 B4 Ge4 N8 O8 -","4","1","","Wu, Yile; Liu, Liu; Su, Jue; Yan, Kaili; Zhu, Jun; Zhao, Yufen","Synthesis of digermylene-stabilized linear tetraboronate and boroxine.","Chemical communications (Cambridge, England)","2016","52","8","1582","1585","10.1039/c5cc09330a","","","0.71073","MoKα","","0.0575","0.0443","","","0.1104","0.1158","","","","","","1.068","","","","has coordinates","174646","2020-10-21","18:00:00",""
"7118523","15.8294","0.0004","31.0399","0.0008","16.1007","0.0004","90","","92.257","0.002","90","","7904.8","0.3","150","2","150","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C69 H75 F24 N16 O2 P4 Pd2 -","- C69 H68 F24 N16 O2 P4 Pd2 -","- C276 H272 F96 N64 O8 P16 Pd8 -","4","1","","Gazvoda, Martin; Virant, Miha; Pevec, Andrej; Urankar, Damijana; Bolje, Aljoša; Kočevar, Marijan; Košmrlj, Janez","A mesoionic bis(Py-tzNHC) palladium(ii) complex catalyses ""green"" Sonogashira reaction through an unprecedented mechanism.","Chemical communications (Cambridge, England)","2016","52","8","1571","1574","10.1039/c5cc08717a","","","0.71073","MoKα","","0.1094","0.0583","","","0.1093","0.1277","","","","","","1.046","","","","has coordinates","174647","2020-10-21","18:00:00",""
"7118524","16.4014","0.0006","19.0245","0.0007","41.5572","0.0015","90","","90","","90","","12967","0.8","150","2","150","2","","","","","","","","7","I b c a","-I 2b 2c","73","","","","- C32 H31 B F4 N8 O2 Pd -","- C32 H31 B F4 N8 O2 Pd -","- C512 H496 B16 F64 N128 O32 Pd16 -","16","1","","Gazvoda, Martin; Virant, Miha; Pevec, Andrej; Urankar, Damijana; Bolje, Aljoša; Kočevar, Marijan; Košmrlj, Janez","A mesoionic bis(Py-tzNHC) palladium(ii) complex catalyses ""green"" Sonogashira reaction through an unprecedented mechanism.","Chemical communications (Cambridge, England)","2016","52","8","1571","1574","10.1039/c5cc08717a","","","0.71073","MoKα","","0.1512","0.0653","","","0.1079","0.1341","","","","","","0.963","","","","has coordinates,has disorder","174647","2020-10-21","18:00:00",""
"7118525","11.925","0.006","23.667","0.012","7.039","0.004","90","","99.498","0.006","90","","1959.4","1.8","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C23 H19 Cl N2 O -","- C23 H19 Cl N2 O -","- C92 H76 Cl4 N8 O4 -","4","1","","Roy, Tony; Thangaraj, Manikandan; Gonnade, Rajesh G.; Biju, Akkattu T.","Synthesis of functionalized amino epoxides by a three-component coupling involving aziridines, arynes and aldehydes.","Chemical communications (Cambridge, England)","2016","52","58","9044","9047","10.1039/c6cc00057f","","","0.71073","MoKα","","0.0722","0.0559","","","0.1374","0.1448","","","","","","1.416","","","","has coordinates","185102","2020-10-21","18:00:00",""
"7118526","9.859","0.002","9.973","0.002","11.943","0.003","103.759","0.014","101.793","0.014","114.317","0.012","976.9","0.4","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C23 H19 Cl N2 O -","- C23 H19 Cl N2 O -","- C46 H38 Cl2 N4 O2 -","2","1","","Roy, Tony; Thangaraj, Manikandan; Gonnade, Rajesh G.; Biju, Akkattu T.","Synthesis of functionalized amino epoxides by a three-component coupling involving aziridines, arynes and aldehydes.","Chemical communications (Cambridge, England)","2016","52","58","9044","9047","10.1039/c6cc00057f","","","0.71073","MoKα","","0.342","0.0923","","","0.2626","0.41","","","","","","1.295","","","","has coordinates","185102","2020-10-21","18:00:00",""
"7118527","13.12","0.0002","22.789","0.0002","21.2","0.0003","90","","103.706","0.001","90","","6158.13","0.14","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C60 H95 B2 N6 O0.5 Si3 -","- C58 H90 B2 N6 Si3 -","- C232 H360 B8 N24 Si12 -","4","1","","Hadlington, Terrance J.; Abdalla, Joseph A. B.; Tirfoin, Rémi; Aldridge, Simon; Jones, Cameron","Stabilization of a two-coordinate, acyclic diaminosilylene (ADASi): completion of the series of isolable diaminotetrylenes, :E(NR2)2 (E = group 14 element).","Chemical communications (Cambridge, England)","2016","52","8","1717","1720","10.1039/c5cc09673a","","","1.5418","CuKα","","0.0433","0.0382","","","0.103","0.1075","","","","","","1.045","","","","has coordinates","174649","2020-10-21","18:00:00",""
"7118528","26.444","0.005","12.059","0.002","18.181","0.004","90","","98.06","0.03","90","","5740","2","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C58 H90 B2 N6 Si2 Sn -","- C58 H90 B2 N6 Si2 Sn -","- C232 H360 B8 N24 Si8 Sn4 -","4","0.5","","Hadlington, Terrance J.; Abdalla, Joseph A. B.; Tirfoin, Rémi; Aldridge, Simon; Jones, Cameron","Stabilization of a two-coordinate, acyclic diaminosilylene (ADASi): completion of the series of isolable diaminotetrylenes, :E(NR2)2 (E = group 14 element).","Chemical communications (Cambridge, England)","2016","52","8","1717","1720","10.1039/c5cc09673a","","","0.7108","Synchrotron","","0.0359","0.0336","","","0.0861","0.0876","","","","","","1.068","","","","has coordinates","174649","2020-10-21","18:00:00",""
"7118529","26.6148","0.0007","12.0185","0.0004","18.1788","0.0005","90","","97.896","0.001","90","","5759.7","0.3","123","2","123","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C58 H90 B2 N6 Pb Si2 -","- C58 H90 B2 N6 Pb Si2 -","- C232 H360 B8 N24 Pb4 Si8 -","4","0.5","","Hadlington, Terrance J.; Abdalla, Joseph A. B.; Tirfoin, Rémi; Aldridge, Simon; Jones, Cameron","Stabilization of a two-coordinate, acyclic diaminosilylene (ADASi): completion of the series of isolable diaminotetrylenes, :E(NR2)2 (E = group 14 element).","Chemical communications (Cambridge, England)","2016","52","8","1717","1720","10.1039/c5cc09673a","","","0.71073","MoKα","","0.0576","0.0365","","","0.0596","0.0661","","","","","","1.029","","","","has coordinates","174649","2020-10-21","18:00:00",""
"7118530","23.6484","0.0002","10.2456","0.0001","30.482","0.0002","90","","108.41","0.001","90","","7007.56","0.11","150","2","150","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C32 H52 B Cl Ge N3 Si -","- C32 H52 B Cl Ge N3 Si -","- C256 H416 B8 Cl8 Ge8 N24 Si8 -","8","1","","Hadlington, Terrance J.; Abdalla, Joseph A. B.; Tirfoin, Rémi; Aldridge, Simon; Jones, Cameron","Stabilization of a two-coordinate, acyclic diaminosilylene (ADASi): completion of the series of isolable diaminotetrylenes, :E(NR2)2 (E = group 14 element).","Chemical communications (Cambridge, England)","2016","52","8","1717","1720","10.1039/c5cc09673a","","","1.5418","CuKα","","0.0279","0.0266","","","0.0678","0.0688","","","","","","1.061","","","","has coordinates","174649","2020-10-21","18:00:00",""
"7118531","13.17","0.0002","20.129","0.0003","22.951","0.0004","90","","104.647","0.002","90","","5886.56","0.17","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C58 H90 B2 N6 O2 Si3 -","- C58 H90 B2 N6 O2 Si3 -","- C232 H360 B8 N24 O8 Si12 -","4","1","","Hadlington, Terrance J.; Abdalla, Joseph A. B.; Tirfoin, Rémi; Aldridge, Simon; Jones, Cameron","Stabilization of a two-coordinate, acyclic diaminosilylene (ADASi): completion of the series of isolable diaminotetrylenes, :E(NR2)2 (E = group 14 element).","Chemical communications (Cambridge, England)","2016","52","8","1717","1720","10.1039/c5cc09673a","","","1.5418","CuKα","","0.0525","0.0448","","","0.1187","0.1259","","","","","","1.022","","","","has coordinates","174649","2020-10-21","18:00:00",""
"7118532","10.0089","0.0005","16.8248","0.0007","19.7026","0.001","90","","104.172","0.002","90","","3216.9","0.3","123","2","123","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C29 H50 B N5 Si2 -","- C29 H50 B N5 Si2 -","- C116 H200 B4 N20 Si8 -","4","1","","Hadlington, Terrance J.; Abdalla, Joseph A. B.; Tirfoin, Rémi; Aldridge, Simon; Jones, Cameron","Stabilization of a two-coordinate, acyclic diaminosilylene (ADASi): completion of the series of isolable diaminotetrylenes, :E(NR2)2 (E = group 14 element).","Chemical communications (Cambridge, England)","2016","52","8","1717","1720","10.1039/c5cc09673a","","","0.71073","MoKα","","0.0955","0.0691","","","0.1717","0.1903","","","","","","1.054","","","","has coordinates,has disorder","174649","2020-10-21","18:00:00",""
"7118533","10.162","0.0006","16.8562","0.0008","19.2329","0.0013","90","","90","","90","","3294.5","0.3","123","2","123","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C29 H46 B Cl2 N3 Si2 -","- C29 H46 B Cl2 N3 Si2 -","- C116 H184 B4 Cl8 N12 Si8 -","4","1","","Hadlington, Terrance J.; Abdalla, Joseph A. B.; Tirfoin, Rémi; Aldridge, Simon; Jones, Cameron","Stabilization of a two-coordinate, acyclic diaminosilylene (ADASi): completion of the series of isolable diaminotetrylenes, :E(NR2)2 (E = group 14 element).","Chemical communications (Cambridge, England)","2016","52","8","1717","1720","10.1039/c5cc09673a","","","0.71073","MoKα","","0.1029","0.0672","","","0.1821","0.2101","","","","","","1.041","","","","has coordinates","174649","2020-10-21","18:00:00",""
"7118534","18.972","0.002","7.8309","0.0009","13.6741","0.0015","90","","90","","90","","2031.5","0.4","310","2","310","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C22 H18 N2 O6 Zn -","- C22 H18 N2 O6 Zn -","- C88 H72 N8 O24 Zn4 -","4","1","","Lama, Prem; Alimi, Lukman O.; Das, Raj Kumar; Barbour, Leonard J.","Hydration-dependent anomalous thermal expansion behaviour in a coordination polymer.","Chemical communications (Cambridge, England)","2016","52","15","3231","3234","10.1039/c6cc00158k","","","0.71073","MoKα","","0.0535","0.0415","","","0.0962","0.1018","","","","","","1.03","","","","has coordinates","177661","2020-10-21","18:00:00",""
"7118535","18.973","0.002","7.8316","0.0009","13.6758","0.0015","90","","90","","90","","2032.1","0.4","310","2","310","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C22 H18 N2 O6 Zn -","- C22 H18 N2 O6 Zn -","- C88 H72 N8 O24 Zn4 -","4","1","","Lama, Prem; Alimi, Lukman O.; Das, Raj Kumar; Barbour, Leonard J.","Hydration-dependent anomalous thermal expansion behaviour in a coordination polymer.","Chemical communications (Cambridge, England)","2016","52","15","3231","3234","10.1039/c6cc00158k","","","0.71073","MoKα","","0.0547","0.0416","","","0.0964","0.1023","","","","","","1.029","","","","has coordinates","177661","2020-10-21","18:00:00",""
"7118536","19.1246","0.0011","7.804","0.0005","13.7839","0.0008","90","","90","","90","","2057.2","0.2","100","2","100","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C22 H20 N2 O7 Zn -","- C22 H20 N2 O7 Zn -","- C88 H80 N8 O28 Zn4 -","4","1","","Lama, Prem; Alimi, Lukman O.; Das, Raj Kumar; Barbour, Leonard J.","Hydration-dependent anomalous thermal expansion behaviour in a coordination polymer.","Chemical communications (Cambridge, England)","2016","52","15","3231","3234","10.1039/c6cc00158k","","","0.71073","MoKα","","0.0275","0.0257","","","0.0674","0.0684","","","","","","1.095","","","","has coordinates","177661","2020-10-21","18:00:00",""
"7118537","19.1221","0.0011","7.8119","0.0005","13.7812","0.0008","90","","90","","90","","2058.6","0.2","120","2","120","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C22 H20 N2 O7 Zn -","- C22 H20 N2 O7 Zn -","- C88 H80 N8 O28 Zn4 -","4","1","","Lama, Prem; Alimi, Lukman O.; Das, Raj Kumar; Barbour, Leonard J.","Hydration-dependent anomalous thermal expansion behaviour in a coordination polymer.","Chemical communications (Cambridge, England)","2016","52","15","3231","3234","10.1039/c6cc00158k","","","0.71073","MoKα","","0.0276","0.0258","","","0.0659","0.0669","","","","","","1.092","","","","has coordinates","177661","2020-10-21","18:00:00",""
"7118538","19.1203","0.0011","7.8191","0.0004","13.7785","0.0008","90","","90","","90","","2059.9","0.2","140","2","140","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C22 H20 N2 O7 Zn -","- C22 H20 N2 O7 Zn -","- C88 H80 N8 O28 Zn4 -","4","1","","Lama, Prem; Alimi, Lukman O.; Das, Raj Kumar; Barbour, Leonard J.","Hydration-dependent anomalous thermal expansion behaviour in a coordination polymer.","Chemical communications (Cambridge, England)","2016","52","15","3231","3234","10.1039/c6cc00158k","","","0.71073","MoKα","","0.0275","0.0258","","","0.0669","0.0678","","","","","","1.104","","","","has coordinates","177661","2020-10-21","18:00:00",""
"7118539","19.1211","0.001","7.8289","0.0004","13.7769","0.0008","90","","90","","90","","2062.36","0.19","160","2","160","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C22 H20 N2 O7 Zn -","- C22 H20 N2 O7 Zn -","- C88 H80 N8 O28 Zn4 -","4","1","","Lama, Prem; Alimi, Lukman O.; Das, Raj Kumar; Barbour, Leonard J.","Hydration-dependent anomalous thermal expansion behaviour in a coordination polymer.","Chemical communications (Cambridge, England)","2016","52","15","3231","3234","10.1039/c6cc00158k","","","0.71073","MoKα","","0.028","0.0258","","","0.0669","0.068","","","","","","1.099","","","","has coordinates","177661","2020-10-21","18:00:00",""
"7118540","19.1196","0.001","7.8379","0.0004","13.7729","0.0007","90","","90","","90","","2063.97","0.18","180","2","180","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C22 H20 N2 O7 Zn -","- C22 H20 N2 O7 Zn -","- C88 H80 N8 O28 Zn4 -","4","1","","Lama, Prem; Alimi, Lukman O.; Das, Raj Kumar; Barbour, Leonard J.","Hydration-dependent anomalous thermal expansion behaviour in a coordination polymer.","Chemical communications (Cambridge, England)","2016","52","15","3231","3234","10.1039/c6cc00158k","","","0.71073","MoKα","","0.0278","0.0255","","","0.0651","0.0663","","","","","","1.092","","","","has coordinates","177661","2020-10-21","18:00:00",""
"7118541","19.1195","0.0009","7.8491","0.0004","13.7716","0.0007","90","","90","","90","","2066.72","0.18","200","2","200","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C22 H20 N2 O7 Zn -","- C22 H20 N2 O7 Zn -","- C88 H80 N8 O28 Zn4 -","4","1","","Lama, Prem; Alimi, Lukman O.; Das, Raj Kumar; Barbour, Leonard J.","Hydration-dependent anomalous thermal expansion behaviour in a coordination polymer.","Chemical communications (Cambridge, England)","2016","52","15","3231","3234","10.1039/c6cc00158k","","","0.71073","MoKα","","0.0278","0.0258","","","0.0665","0.0675","","","","","","1.06","","","","has coordinates","177661","2020-10-21","18:00:00",""
"7118542","19.1176","0.0009","7.8572","0.0004","13.7712","0.0007","90","","90","","90","","2068.58","0.18","220","2","220","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C22 H20 N2 O7 Zn -","- C22 H20 N2 O7 Zn -","- C88 H80 N8 O28 Zn4 -","4","1","","Lama, Prem; Alimi, Lukman O.; Das, Raj Kumar; Barbour, Leonard J.","Hydration-dependent anomalous thermal expansion behaviour in a coordination polymer.","Chemical communications (Cambridge, England)","2016","52","15","3231","3234","10.1039/c6cc00158k","","","0.71073","MoKα","","0.0293","0.0269","","","0.0692","0.0703","","","","","","1.084","","","","has coordinates","177661","2020-10-21","18:00:00",""
"7118543","19.1136","0.0009","7.8642","0.0004","13.7696","0.0006","90","","90","","90","","2069.75","0.17","240","2","240","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C22 H20 N2 O7 Zn -","- C22 H20 N2 O7 Zn -","- C88 H80 N8 O28 Zn4 -","4","1","","Lama, Prem; Alimi, Lukman O.; Das, Raj Kumar; Barbour, Leonard J.","Hydration-dependent anomalous thermal expansion behaviour in a coordination polymer.","Chemical communications (Cambridge, England)","2016","52","15","3231","3234","10.1039/c6cc00158k","","","0.71073","MoKα","","0.0297","0.0274","","","0.0732","0.0746","","","","","","1.074","","","","has coordinates","177661","2020-10-21","18:00:00",""
"7118544","19.1062","0.0009","7.8702","0.0004","13.7665","0.0007","90","","90","","90","","2070.06","0.18","260","2","260","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C22 H20 N2 O7 Zn -","- C22 H20 N2 O7 Zn -","- C88 H80 N8 O28 Zn4 -","4","1","","Lama, Prem; Alimi, Lukman O.; Das, Raj Kumar; Barbour, Leonard J.","Hydration-dependent anomalous thermal expansion behaviour in a coordination polymer.","Chemical communications (Cambridge, England)","2016","52","15","3231","3234","10.1039/c6cc00158k","","","0.71073","MoKα","","0.0314","0.0284","","","0.0751","0.077","","","","","","1.062","","","","has coordinates","177661","2020-10-21","18:00:00",""
"7118545","19.1073","0.0009","7.8706","0.0004","13.7668","0.0006","90","","90","","90","","2070.33","0.17","260","2","260","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C22 H20 N2 O7 Zn -","- C22 H20 N2 O7 Zn -","- C88 H80 N8 O28 Zn4 -","4","1","","Lama, Prem; Alimi, Lukman O.; Das, Raj Kumar; Barbour, Leonard J.","Hydration-dependent anomalous thermal expansion behaviour in a coordination polymer.","Chemical communications (Cambridge, England)","2016","52","15","3231","3234","10.1039/c6cc00158k","","","0.71073","MoKα","","0.0317","0.0288","","","0.0754","0.0771","","","","","","1.067","","","","has coordinates","177661","2020-10-21","18:00:00",""
"7118546","18.9732","0.0017","7.753","0.0007","13.6972","0.0012","90","","90","","90","","2014.8","0.3","100","2","100","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C22 H18 N2 O6 Zn -","- C22 H18 N2 O6 Zn -","- C88 H72 N8 O24 Zn4 -","4","1","","Lama, Prem; Alimi, Lukman O.; Das, Raj Kumar; Barbour, Leonard J.","Hydration-dependent anomalous thermal expansion behaviour in a coordination polymer.","Chemical communications (Cambridge, England)","2016","52","15","3231","3234","10.1039/c6cc00158k","","","0.71073","MoKα","","0.0409","0.0354","","","0.0854","0.0881","","","","","","1.059","","","","has coordinates","177661","2020-10-21","18:00:00",""
"7118547","18.9781","0.0018","7.766","0.0008","13.6963","0.0013","90","","90","","90","","2018.6","0.3","130","2","130","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C22 H18 N2 O6 Zn -","- C22 H18 N2 O6 Zn -","- C88 H72 N8 O24 Zn4 -","4","1","","Lama, Prem; Alimi, Lukman O.; Das, Raj Kumar; Barbour, Leonard J.","Hydration-dependent anomalous thermal expansion behaviour in a coordination polymer.","Chemical communications (Cambridge, England)","2016","52","15","3231","3234","10.1039/c6cc00158k","","","0.71073","MoKα","","0.0425","0.036","","","0.0866","0.0901","","","","","","1.06","","","","has coordinates","177661","2020-10-21","18:00:00",""
"7118548","18.976","0.002","7.7768","0.0008","13.692","0.0014","90","","90","","90","","2020.6","0.4","160","2","160","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C22 H18 N2 O6 Zn -","- C22 H18 N2 O6 Zn -","- C88 H72 N8 O24 Zn4 -","4","1","","Lama, Prem; Alimi, Lukman O.; Das, Raj Kumar; Barbour, Leonard J.","Hydration-dependent anomalous thermal expansion behaviour in a coordination polymer.","Chemical communications (Cambridge, England)","2016","52","15","3231","3234","10.1039/c6cc00158k","","","0.71073","MoKα","","0.0434","0.0363","","","0.086","0.0893","","","","","","1.061","","","","has coordinates","177661","2020-10-21","18:00:00",""
"7118549","18.977","0.002","7.7881","0.0009","13.689","0.0015","90","","90","","90","","2023.2","0.4","190","2","190","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C22 H18 N2 O6 Zn -","- C22 H18 N2 O6 Zn -","- C88 H72 N8 O24 Zn4 -","4","1","","Lama, Prem; Alimi, Lukman O.; Das, Raj Kumar; Barbour, Leonard J.","Hydration-dependent anomalous thermal expansion behaviour in a coordination polymer.","Chemical communications (Cambridge, England)","2016","52","15","3231","3234","10.1039/c6cc00158k","","","0.71073","MoKα","","0.0446","0.037","","","0.0897","0.0935","","","","","","1.056","","","","has coordinates","177661","2020-10-21","18:00:00",""
"7118550","18.983","0.002","7.8009","0.0009","13.6902","0.0016","90","","90","","90","","2027.3","0.4","220","2","220","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C22 H18 N2 O6 Zn -","- C22 H18 N2 O6 Zn -","- C88 H72 N8 O24 Zn4 -","4","1","","Lama, Prem; Alimi, Lukman O.; Das, Raj Kumar; Barbour, Leonard J.","Hydration-dependent anomalous thermal expansion behaviour in a coordination polymer.","Chemical communications (Cambridge, England)","2016","52","15","3231","3234","10.1039/c6cc00158k","","","0.71073","MoKα","","0.0477","0.0387","","","0.0918","0.0958","","","","","","1.057","","","","has coordinates","177661","2020-10-21","18:00:00",""
"7118551","18.9745","0.0019","7.808","0.0008","13.6816","0.0014","90","","90","","90","","2027","0.4","250","2","250","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C22 H18 N2 O6 Zn -","- C22 H18 N2 O6 Zn -","- C88 H72 N8 O24 Zn4 -","4","1","","Lama, Prem; Alimi, Lukman O.; Das, Raj Kumar; Barbour, Leonard J.","Hydration-dependent anomalous thermal expansion behaviour in a coordination polymer.","Chemical communications (Cambridge, England)","2016","52","15","3231","3234","10.1039/c6cc00158k","","","0.71073","MoKα","","0.0509","0.0406","","","0.0977","0.1029","","","","","","1.045","","","","has coordinates","177661","2020-10-21","18:00:00",""
"7118552","18.9725","0.0019","7.8178","0.0008","13.6767","0.0014","90","","90","","90","","2028.6","0.4","280","2","280","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C22 H18 N2 O6 Zn -","- C22 H18 N2 O6 Zn -","- C88 H72 N8 O24 Zn4 -","4","1","","Lama, Prem; Alimi, Lukman O.; Das, Raj Kumar; Barbour, Leonard J.","Hydration-dependent anomalous thermal expansion behaviour in a coordination polymer.","Chemical communications (Cambridge, England)","2016","52","15","3231","3234","10.1039/c6cc00158k","","","0.71073","MoKα","","0.0509","0.0396","","","0.093","0.0979","","","","","","1.044","","","","has coordinates","177661","2020-10-21","18:00:00",""
"7118553","20.74","0.002","22.507","0.002","21.262","0.002","90","","113.972","0.004","90","","9068.9","1.5","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C144 H112 Co6 Gd6 N18 O44 -","- C144 H108 Co6 Gd6 N18 O44 -","- C288 H216 Co12 Gd12 N36 O88 -","2","0.5","","Alexandropoulos, Dimitris I.; Cunha-Silva, Luís; Lorusso, Giulia; Evangelisti, Marco; Tang, Jinkui; Stamatatos, Theocharis C.","Dodecanuclear 3d/4f-metal clusters with a 'Star of David' topology: single-molecule magnetism and magnetocaloric properties.","Chemical communications (Cambridge, England)","2016","52","8","1693","1696","10.1039/c5cc09385f","","","0.68239","synchrotron","","0.0775","0.0748","","","0.1958","0.1986","","","","","","0.889","","","","has coordinates","174651","2020-10-21","18:00:00",""
"7118554","35.3299","0.0016","22.8072","0.001","22.7035","0.001","90","","90","","90","","18293.9","1.4","120","2","120","2","","","","","","","","6","C m c e","-C 2ac 2","64","","","","- C144 H112 Gd6 N18 Ni6 O44 -","- C144 H84 Gd6 N18 Ni6 O44 -","- C576 H336 Gd24 N72 Ni24 O176 -","4","0.25","","Alexandropoulos, Dimitris I.; Cunha-Silva, Luís; Lorusso, Giulia; Evangelisti, Marco; Tang, Jinkui; Stamatatos, Theocharis C.","Dodecanuclear 3d/4f-metal clusters with a 'Star of David' topology: single-molecule magnetism and magnetocaloric properties.","Chemical communications (Cambridge, England)","2016","52","8","1693","1696","10.1039/c5cc09385f","","","0.71073","MoKα","","0.1003","0.0575","","","0.1531","0.1992","","","","","","1.043","","","","has coordinates","206165","2020-10-21","18:00:00",""
"7118555","35.809","0.002","22.7395","0.0015","23.0503","0.0014","90","","90","","90","","18769","2","120","2","120","2","","","","","","","","6","C m c e","-C 2ac 2","64","","","","- C132 H112 Gd6 N15 O48 Zn6 -","- C132 H90 Gd6 N12 O50 Zn6 -","- C528 H360 Gd24 N48 O200 Zn24 -","4","0.25","","Alexandropoulos, Dimitris I.; Cunha-Silva, Luís; Lorusso, Giulia; Evangelisti, Marco; Tang, Jinkui; Stamatatos, Theocharis C.","Dodecanuclear 3d/4f-metal clusters with a 'Star of David' topology: single-molecule magnetism and magnetocaloric properties.","Chemical communications (Cambridge, England)","2016","52","8","1693","1696","10.1039/c5cc09385f","","","0.71073","MoKα","","0.0771","0.0545","","","0.1513","0.1756","","","","","","0.93","","","","has coordinates","206165","2020-10-21","18:00:00",""
"7118556","35.395","0.0019","22.7777","0.0015","22.9329","0.0018","90","","90","","90","","18489","2","150","2","150","2","","","","","","","","6","C m c e","-C 2ac 2","64","","","","- C128 H104 Dy6 N10 O52 Zn6 -","- C128 H84 Dy6 N10 O52 Zn6 -","- C512 H336 Dy24 N40 O208 Zn24 -","4","0.25","","Alexandropoulos, Dimitris I.; Cunha-Silva, Luís; Lorusso, Giulia; Evangelisti, Marco; Tang, Jinkui; Stamatatos, Theocharis C.","Dodecanuclear 3d/4f-metal clusters with a 'Star of David' topology: single-molecule magnetism and magnetocaloric properties.","Chemical communications (Cambridge, England)","2016","52","8","1693","1696","10.1039/c5cc09385f","","","0.71073","MoKα","","0.0621","0.0498","","","0.13","0.1486","","","","","","0.919","","","","has coordinates","206165","2020-10-21","18:00:00",""
"7118557","35.887","0.003","22.5851","0.0017","23.2338","0.0017","90","","90","","90","","18831","3","120","2","120","2","","","","","","","","6","C m c e","-C 2ac 2","64","","","","- C128 H104 Dy6 N14 Ni6 O52 -","- C128 H84 Dy6 N10 Ni6 O52 -","- C512 H336 Dy24 N40 Ni24 O208 -","4","0.25","","Alexandropoulos, Dimitris I.; Cunha-Silva, Luís; Lorusso, Giulia; Evangelisti, Marco; Tang, Jinkui; Stamatatos, Theocharis C.","Dodecanuclear 3d/4f-metal clusters with a 'Star of David' topology: single-molecule magnetism and magnetocaloric properties.","Chemical communications (Cambridge, England)","2016","52","8","1693","1696","10.1039/c5cc09385f","","","0.71073","MoKα","","0.0958","0.0731","","","0.1852","0.2004","","","","","","1.085","","","","has coordinates","206165","2020-10-21","18:00:00",""
"7118558","5.2566","0.00005","12.33003","0.00013","25.5995","0.0003","90","","90","","90","","1659.21","0.03","123.01","0.1","123.01","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C20 H12 Br N O5 -","- C20 H12 Br N O5 -","- C80 H48 Br4 N4 O20 -","4","1","","Kaya, Uğur; Chauhan, Pankaj; Hack, Daniel; Deckers, Kristina; Puttreddy, Rakesh; Rissanen, Kari; Enders, Dieter","Enantioselective synthesis of 4H-pyranonaphthoquinones via sequential squaramide and silver catalysis.","Chemical communications (Cambridge, England)","2016","52","8","1669","1672","10.1039/c5cc09592a","","x-ray","1.54184","CuKα","","0.0224","0.0206","","","0.0523","0.0537","","","","","","1.067","","","","has coordinates","174652","2020-10-21","18:00:00",""
"7118559","14.2762","0.0003","10.1806","0.00018","17.0287","0.0003","90","","109.886","0.001","90","","2327.38","0.08","123","","123","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","benzofuran-based cage-dhaped borate","4?THF","","- C29 H21 B O7 -","- C29 H21 B O7 -","- C116 H84 B4 O28 -","4","1","","Konishi, Akihito; Yasunaga, Ryosuke; Chiba, Kouji; Yasuda, Makoto","Synthesis, characterization, and properties of a benzofuran-based cage-shaped borate: photo activation of Lewis acid catalysts.","Chemical communications (Cambridge, England)","2016","52","16","3348","3351","10.1039/c6cc00291a","","","1.54187","CuKα","","","0.0526","","","","0.1067","","","","","","3.326","","","","has coordinates","177666","2020-10-21","18:00:00",""
"7118560","7.9612","0.0001","24.5627","0.0004","16.5897","0.0003","90","","90.823","0.001","90","","3243.76","0.09","130","","130","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C36 H34 N4 O8 -","- C36 H34 N4 O8 -","- C144 H136 N16 O32 -","4","2","","Wang, Yue-Ming; Zhang, Hong-Hao; Li, Can; Fan, Tao; Shi, Feng","Catalytic asymmetric chemoselective 1,3-dipolar cycloadditions of an azomethine ylide with isatin-derived imines: diastereo- and enantioselective construction of a spiro[imidazolidine-2,3'-oxindole] framework.","Chemical communications (Cambridge, England)","2016","52","9","1804","1807","10.1039/c5cc07924a","","","1.54178","CuKα","","0.0567","0.0478","","","0.1173","0.1245","","","","","","1.022","","","","has coordinates","174800","2020-10-21","18:00:00",""
"7118561","9.9607","0.001","7.291","0.0008","18.5284","0.0019","90","","95.286","0.002","90","","1339.9","0.2","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","(3S,5S,8R,9S,10S,13R,14R,16R,17R)-16-hydroxy-10,17-dimethyl-17-((S)-1-((2R,5R)-5-methyl-6-oxotetrahydro-2H-pyran-2-yl)ethyl)tetradecahydro-15H-13,14-epoxycyclopenta[a]phenanthren-3-yl acetate","","- C29 H44 O6 -","- C29 H44 O6 -","- C58 H88 O12 -","2","1","","Wu, Jing-Jing; Shi, Yong; Tian, Wei-Sheng","Synthesis of the aglycon of aspafiliosides E and F based on cascade reactions.","Chemical communications (Cambridge, England)","2016","52","9","1942","1944","10.1039/c5cc08856a","","","0.71073","MoKα","","0.0638","0.0583","","","0.1516","0.1574","","","","","","1.035","","","","has coordinates,has disorder","174801","2020-10-21","18:00:00",""
"7118562","5.5837","0.0007","8.5339","0.001","19.865","0.002","90","","92.074","0.011","90","","945.96","0.19","293.15","","298","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C9 H10 Cl N O2 -","- C9 H10 Cl N O2 -","- C36 H40 Cl4 N4 O8 -","4","1","","d'Agostino, Simone; Spinelli, Floriana; Boanini, Elisa; Braga, Dario; Grepioni, Fabrizia","Single crystal to single crystal [2+2] photoreactions in chloride and sulphate salts of 4-amino-cinnamic acid via solid-solution formation: a structural and kinetic study.","Chemical communications (Cambridge, England)","2016","52","9","1899","1902","10.1039/c5cc09412g","","","0.71073","MoKα","","0.1489","0.07","","","0.0975","0.1218","","","","","","1.052","","","","has coordinates","174802","2020-10-21","18:00:00",""
"7118563","5.6063","0.0002","8.5811","0.0007","19.4662","0.0017","90","","91.595","0.007","90","","936.12","0.12","298","","298","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C9 H10 Cl N O2 -","- C9 H10 Cl N O2 -","- C36 H40 Cl4 N4 O8 -","4","1","","d'Agostino, Simone; Spinelli, Floriana; Boanini, Elisa; Braga, Dario; Grepioni, Fabrizia","Single crystal to single crystal [2+2] photoreactions in chloride and sulphate salts of 4-amino-cinnamic acid via solid-solution formation: a structural and kinetic study.","Chemical communications (Cambridge, England)","2016","52","9","1899","1902","10.1039/c5cc09412g","","x-ray","0.71073","MoKα","","0.1382","0.0948","","","0.1826","0.2018","","","","","","1.22","","","","has coordinates,has disorder","174802","2020-10-21","18:00:00",""
"7118564","5.618","0.0003","8.5855","0.0007","19.373","0.002","90","","91.521","0.007","90","","934.1","0.13","298","","298","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C9 H10 Cl N O2 -","- C9 H10 Cl N O2 -","- C36 H40 Cl4 N4 O8 -","4","1","","d'Agostino, Simone; Spinelli, Floriana; Boanini, Elisa; Braga, Dario; Grepioni, Fabrizia","Single crystal to single crystal [2+2] photoreactions in chloride and sulphate salts of 4-amino-cinnamic acid via solid-solution formation: a structural and kinetic study.","Chemical communications (Cambridge, England)","2016","52","9","1899","1902","10.1039/c5cc09412g","","x-ray","0.71073","MoKα","","0.1499","0.0925","","","0.1679","0.1923","","","","","","1.16","","","","has coordinates,has disorder","174802","2020-10-21","18:00:00",""
"7118565","5.6294","0.0005","8.5824","0.0008","19.252","0.003","90","","91.427","0.009","90","","929.85","0.19","298","","298","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C9 H10 Cl N O2 -","- C9 H10 Cl N O2 -","- C36 H40 Cl4 N4 O8 -","4","1","","d'Agostino, Simone; Spinelli, Floriana; Boanini, Elisa; Braga, Dario; Grepioni, Fabrizia","Single crystal to single crystal [2+2] photoreactions in chloride and sulphate salts of 4-amino-cinnamic acid via solid-solution formation: a structural and kinetic study.","Chemical communications (Cambridge, England)","2016","52","9","1899","1902","10.1039/c5cc09412g","","x-ray","0.71073","MoKα","","0.1406","0.0854","","","0.1701","0.1914","","","","","","1.113","","","","has coordinates,has disorder","174802","2020-10-21","18:00:00",""
"7118566","5.6409","0.0005","8.5631","0.0008","19.131","0.003","90","","91.475","0.01","90","","923.79","0.19","298","","298","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C9 H10 Cl N O2 -","- C9 H10 Cl N O2 -","- C36 H40 Cl4 N4 O8 -","4","1","","d'Agostino, Simone; Spinelli, Floriana; Boanini, Elisa; Braga, Dario; Grepioni, Fabrizia","Single crystal to single crystal [2+2] photoreactions in chloride and sulphate salts of 4-amino-cinnamic acid via solid-solution formation: a structural and kinetic study.","Chemical communications (Cambridge, England)","2016","52","9","1899","1902","10.1039/c5cc09412g","","x-ray","0.71073","MoKα","","0.1963","0.0877","","","0.1908","0.2345","","","","","","1.031","","","","has coordinates,has disorder","174802","2020-10-21","18:00:00",""
"7118567","5.6523","0.0007","8.5616","0.0014","19.105","0.005","90","","91.471","0.017","90","","924.2","0.3","298","","298","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C9 H10 Cl N O2 -","- C9 H10 Cl N O2 -","- C36 H40 Cl4 N4 O8 -","4","1","","d'Agostino, Simone; Spinelli, Floriana; Boanini, Elisa; Braga, Dario; Grepioni, Fabrizia","Single crystal to single crystal [2+2] photoreactions in chloride and sulphate salts of 4-amino-cinnamic acid via solid-solution formation: a structural and kinetic study.","Chemical communications (Cambridge, England)","2016","52","9","1899","1902","10.1039/c5cc09412g","","x-ray","0.71073","MoKα","","0.1532","0.1149","","","0.2164","0.2367","","","","","","1.173","","","","has coordinates,has disorder","174802","2020-10-21","18:00:00",""
"7118568","5.6822","0.0005","8.5112","0.0012","18.888","0.003","90","","91.591","0.01","90","","913.1","0.2","298","","298","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C9 H10 Cl N O2 -","- C9 H10 Cl N O2 -","- C36 H40 Cl4 N4 O8 -","4","1","","d'Agostino, Simone; Spinelli, Floriana; Boanini, Elisa; Braga, Dario; Grepioni, Fabrizia","Single crystal to single crystal [2+2] photoreactions in chloride and sulphate salts of 4-amino-cinnamic acid via solid-solution formation: a structural and kinetic study.","Chemical communications (Cambridge, England)","2016","52","9","1899","1902","10.1039/c5cc09412g","","x-ray","0.71073","MoKα","","0.1281","0.0875","","","0.1971","0.2163","","","","","","1.124","","","","has coordinates,has disorder","174802","2020-10-21","18:00:00",""
"7118569","5.6907","0.0005","8.4732","0.0018","18.86","0.003","90","","91.741","0.009","90","","909","0.3","298","","298","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C9 H10 Cl N O2 -","- C9 H10 Cl N O2 -","- C36 H40 Cl4 N4 O8 -","4","1","","d'Agostino, Simone; Spinelli, Floriana; Boanini, Elisa; Braga, Dario; Grepioni, Fabrizia","Single crystal to single crystal [2+2] photoreactions in chloride and sulphate salts of 4-amino-cinnamic acid via solid-solution formation: a structural and kinetic study.","Chemical communications (Cambridge, England)","2016","52","9","1899","1902","10.1039/c5cc09412g","","x-ray","0.71073","MoKα","","0.1249","0.1019","","","0.2137","0.2266","","","","","","1.173","","","","has coordinates,has disorder","174802","2020-10-21","18:00:00",""
"7118570","5.7167","0.0006","8.417","0.002","18.889","0.003","90","","91.904","0.01","90","","908.4","0.3","295","2","298","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C9 H10 Cl N O2 -","- C9 H10 Cl N O2 -","- C36 H40 Cl4 N4 O8 -","4","1","","d'Agostino, Simone; Spinelli, Floriana; Boanini, Elisa; Braga, Dario; Grepioni, Fabrizia","Single crystal to single crystal [2+2] photoreactions in chloride and sulphate salts of 4-amino-cinnamic acid via solid-solution formation: a structural and kinetic study.","Chemical communications (Cambridge, England)","2016","52","9","1899","1902","10.1039/c5cc09412g","","x-ray","0.71073","MoKα","","0.1244","0.1034","","","0.2014","0.2125","","","","","","1.2","","","","has coordinates,has disorder","174802","2020-10-21","18:00:00",""
"7118571","5.7431","0.0017","8.221","0.003","19.012","0.006","90","","92.47","0.03","90","","896.8","0.5","298","","298","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C9 H10 Cl N O2 -","- C9 H10 Cl N O2 -","- C36 H40 Cl4 N4 O8 -","4","1","","d'Agostino, Simone; Spinelli, Floriana; Boanini, Elisa; Braga, Dario; Grepioni, Fabrizia","Single crystal to single crystal [2+2] photoreactions in chloride and sulphate salts of 4-amino-cinnamic acid via solid-solution formation: a structural and kinetic study.","Chemical communications (Cambridge, England)","2016","52","9","1899","1902","10.1039/c5cc09412g","","x-ray","0.71073","MoKα","","0.3096","0.1088","","","0.265","0.3918","","","","","","0.965","","","","has coordinates","174802","2020-10-21","18:00:00",""
"7118572","13.1014","0.0006","11.7129","0.0004","13.2735","0.0006","90","","100.385","0.004","90","","2003.52","0.15","298","","298","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H22 N2 O9 S -","- C18 H22 N2 O9 S -","- C72 H88 N8 O36 S4 -","4","1","","d'Agostino, Simone; Spinelli, Floriana; Boanini, Elisa; Braga, Dario; Grepioni, Fabrizia","Single crystal to single crystal [2+2] photoreactions in chloride and sulphate salts of 4-amino-cinnamic acid via solid-solution formation: a structural and kinetic study.","Chemical communications (Cambridge, England)","2016","52","9","1899","1902","10.1039/c5cc09412g","","x-ray","0.71073","MoKα","","0.1461","0.0761","","","0.1887","0.2476","","","","","","1.047","","","","has coordinates","174802","2020-10-21","18:00:00",""
"7118573","7.3374","0.0008","10.5566","0.0012","13.8798","0.0015","103.793","0.01","99.924","0.009","102.838","0.01","988.8","0.2","298","","298","","","","","","","","","5","P -1","-P 1","2","","","","- C18 H22 N2 O9 S -","- C18 H22 N2 O9 S -","- C36 H44 N4 O18 S2 -","2","1","","d'Agostino, Simone; Spinelli, Floriana; Boanini, Elisa; Braga, Dario; Grepioni, Fabrizia","Single crystal to single crystal [2+2] photoreactions in chloride and sulphate salts of 4-amino-cinnamic acid via solid-solution formation: a structural and kinetic study.","Chemical communications (Cambridge, England)","2016","52","9","1899","1902","10.1039/c5cc09412g","","x-ray","0.71073","MoKα","","0.1119","0.0681","","","0.1422","0.1686","","","","","","1.034","","","","has coordinates","174802","2020-10-21","18:00:00",""
"7118574","7.3066","0.0009","10.5681","0.0017","13.8909","0.0016","104.253","0.012","99.577","0.01","102.609","0.012","986.7","0.3","298","","298","","","","","","","","","5","P -1","-P 1","2","","","","- C18 H22 N O9 S -","- C18 H22 N2 O9 S -","- C36 H44 N4 O18 S2 -","2","1","","d'Agostino, Simone; Spinelli, Floriana; Boanini, Elisa; Braga, Dario; Grepioni, Fabrizia","Single crystal to single crystal [2+2] photoreactions in chloride and sulphate salts of 4-amino-cinnamic acid via solid-solution formation: a structural and kinetic study.","Chemical communications (Cambridge, England)","2016","52","9","1899","1902","10.1039/c5cc09412g","","x-ray","0.71073","MoKα","","0.16","0.0776","","","0.1814","0.2375","","","","","","1.005","","","","has coordinates,has disorder","174802","2020-10-21","18:00:00",""
"7118575","7.259","0.001","10.5719","0.0015","13.8895","0.0018","104.423","0.012","98.792","0.011","102.601","0.012","982.9","0.3","298","","298","","","","","","","","","5","P -1","-P 1","2","","","","- C18 H22 N2 O9 S -","- C18 H22 N2 O9 S -","- C36 H44 N4 O18 S2 -","2","1","","d'Agostino, Simone; Spinelli, Floriana; Boanini, Elisa; Braga, Dario; Grepioni, Fabrizia","Single crystal to single crystal [2+2] photoreactions in chloride and sulphate salts of 4-amino-cinnamic acid via solid-solution formation: a structural and kinetic study.","Chemical communications (Cambridge, England)","2016","52","9","1899","1902","10.1039/c5cc09412g","","x-ray","0.71073","MoKα","","0.1985","0.1049","","","0.281","0.3746","","","","","","1.023","","","","has coordinates,has disorder","174802","2020-10-21","18:00:00",""
"7118576","7.2497","0.001","10.6164","0.0017","13.902","0.002","104.762","0.014","98.258","0.013","102.574","0.013","987.1","0.3","298","","298","","","","","","","","","5","P -1","-P 1","2","","","","- C18 H22 N2 O9 S -","- C18 H22 N2 O9 S -","- C36 H44 N4 O18 S2 -","2","1","","d'Agostino, Simone; Spinelli, Floriana; Boanini, Elisa; Braga, Dario; Grepioni, Fabrizia","Single crystal to single crystal [2+2] photoreactions in chloride and sulphate salts of 4-amino-cinnamic acid via solid-solution formation: a structural and kinetic study.","Chemical communications (Cambridge, England)","2016","52","9","1899","1902","10.1039/c5cc09412g","","x-ray","0.71073","MoKα","","0.2188","0.1282","","","0.3363","0.4098","","","","","","1.149","","","","has coordinates,has disorder","174802","2020-10-21","18:00:00",""
"7118577","7.1238","0.0019","10.631","0.002","13.925","0.003","106.01","0.017","95.898","0.018","102.081","0.019","976.7","0.4","298","","298","","","","","","","","","5","P -1","-P 1","2","","","","- C18 H22 N2 O9 S -","- C18 H22 N2 O9 S -","- C36 H44 N4 O18 S2 -","2","1","","d'Agostino, Simone; Spinelli, Floriana; Boanini, Elisa; Braga, Dario; Grepioni, Fabrizia","Single crystal to single crystal [2+2] photoreactions in chloride and sulphate salts of 4-amino-cinnamic acid via solid-solution formation: a structural and kinetic study.","Chemical communications (Cambridge, England)","2016","52","9","1899","1902","10.1039/c5cc09412g","","x-ray","0.71073","MoKα","","0.1893","0.1032","","","0.2711","0.3381","","","","","","0.975","","","","has coordinates,has disorder","174802","2020-10-21","18:00:00",""
"7118578","7.096","0.0005","10.6518","0.0009","13.9338","0.0012","106.307","0.008","95.377","0.007","101.948","0.007","975.91","0.15","298","","298","","","","","","","","","5","P -1","-P 1","2","","","","- C18 H22 N2 O9 S -","- C18 H22 N2 O9 S -","- C36 H44 N4 O18 S2 -","2","1","","d'Agostino, Simone; Spinelli, Floriana; Boanini, Elisa; Braga, Dario; Grepioni, Fabrizia","Single crystal to single crystal [2+2] photoreactions in chloride and sulphate salts of 4-amino-cinnamic acid via solid-solution formation: a structural and kinetic study.","Chemical communications (Cambridge, England)","2016","52","9","1899","1902","10.1039/c5cc09412g","","x-ray","0.71073","MoKα","","0.1522","0.1009","","","0.2728","0.3155","","","","","","1.04","","","","has coordinates,has disorder","174802","2020-10-21","18:00:00",""
"7118579","7.0956","0.0007","10.6597","0.0013","13.943","0.0015","106.348","0.01","95.271","0.009","101.923","0.01","977.4","0.2","298","","298","","","","","","","","","5","P -1","-P 1","2","","","","- C18 H22 N2 O9 S -","- C18 H22 N2 O9 S -","- C36 H44 N4 O18 S2 -","2","1","","d'Agostino, Simone; Spinelli, Floriana; Boanini, Elisa; Braga, Dario; Grepioni, Fabrizia","Single crystal to single crystal [2+2] photoreactions in chloride and sulphate salts of 4-amino-cinnamic acid via solid-solution formation: a structural and kinetic study.","Chemical communications (Cambridge, England)","2016","52","9","1899","1902","10.1039/c5cc09412g","","x-ray","0.71073","MoKα","","0.1349","0.1076","","","0.2511","0.2698","","","","","","1.176","","","","has coordinates","174802","2020-10-21","18:00:00",""
"7118580","7.262","0.005","10.026","0.005","30.424","0.005","90","0.005","96.193","0.005","90","0.005","2202.2","1.9","295","2","295","2","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C9 H10 B F4 N O2 -","- C9 H10 B F4 N O2 -","- C72 H80 B8 F32 N8 O16 -","8","1","","d'Agostino, Simone; Spinelli, Floriana; Boanini, Elisa; Braga, Dario; Grepioni, Fabrizia","Single crystal to single crystal [2+2] photoreactions in chloride and sulphate salts of 4-amino-cinnamic acid via solid-solution formation: a structural and kinetic study.","Chemical communications (Cambridge, England)","2016","52","9","1899","1902","10.1039/c5cc09412g","","x-ray","0.71073","MoKα","","0.1203","0.0567","","","0.0976","0.1242","","","","","","1.048","","","","has coordinates","174802","2020-10-21","18:00:00",""
"7118581","7.2802","0.0011","9.067","0.0015","9.7329","0.0016","115.13","0.016","100.802","0.013","101.825","0.014","541.32","0.19","298","","298","","","","","","","","","6","P -1","-P 1","2","","","","- C9 H10 B F4 N O2 -","- C9 H10 B F4 N O2 -","- C18 H20 B2 F8 N2 O4 -","2","1","","d'Agostino, Simone; Spinelli, Floriana; Boanini, Elisa; Braga, Dario; Grepioni, Fabrizia","Single crystal to single crystal [2+2] photoreactions in chloride and sulphate salts of 4-amino-cinnamic acid via solid-solution formation: a structural and kinetic study.","Chemical communications (Cambridge, England)","2016","52","9","1899","1902","10.1039/c5cc09412g","","","0.71073","MoKα","","0.1684","0.0857","","","0.202","0.2686","","","","","","1.021","","","","has coordinates","174802","2020-10-21","18:00:00",""
"7118582","5.14519","0.00011","28.63202","0.00068","7.0164","0.00022","90","","104.505","0.0022","90","","1000.69","0.05","298","","298","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C9 H10 N2 O5 -","- C9 H10 N2 O5 -","- C36 H40 N8 O20 -","4","1","","d'Agostino, Simone; Spinelli, Floriana; Boanini, Elisa; Braga, Dario; Grepioni, Fabrizia","Single crystal to single crystal [2+2] photoreactions in chloride and sulphate salts of 4-amino-cinnamic acid via solid-solution formation: a structural and kinetic study.","Chemical communications (Cambridge, England)","2016","52","9","1899","1902","10.1039/c5cc09412g","powder diffraction","","1.54056","CuKα1andKα2","","","","","","","","","","1.5","","","","","","","has coordinates","174802","2020-10-21","18:00:00",""
"7118583","5.5647","0.0005","5.8519","0.0008","15.82","0.0015","85.376","0.009","86.255","0.007","72.178","0.01","488.4","0.1","298","","298","","","","","","","","","6","P -1","-P 1","2","","","","- C9 H10 F3 N O2 P0.5 -","- C9 H10 F3 N O2 P0.5 -","- C18 H20 F6 N2 O4 P -","2","1","","d'Agostino, Simone; Spinelli, Floriana; Boanini, Elisa; Braga, Dario; Grepioni, Fabrizia","Single crystal to single crystal [2+2] photoreactions in chloride and sulphate salts of 4-amino-cinnamic acid via solid-solution formation: a structural and kinetic study.","Chemical communications (Cambridge, England)","2016","52","9","1899","1902","10.1039/c5cc09412g","","x-ray","0.71073","MoKα","","0.0956","0.0703","","","0.1637","0.1832","","","","","","1.087","","","","has coordinates","174802","2020-10-21","18:00:00",""
"7118584","13.8075","0.0004","20.3411","0.0007","27.8465","0.0009","81.213","0.003","86.01","0.003","75.367","0.003","7474.5","0.4","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C97 H85 N5 Zn -","- C97 H85 N5 Zn -","- C388 H340 N20 Zn4 -","4","2","","Diev, Vyacheslav V.; Femia, Denise; Zhong, Qiwen; Djurovich, Peter I.; Haiges, Ralf; Thompson, Mark E.","A quinoidal bis-phenalenyl-fused porphyrin with supramolecular organization and broad near-infrared absorption.","Chemical communications (Cambridge, England)","2016","52","9","1949","1952","10.1039/c5cc09128d","","","1.54178","CuKα","","0.2037","0.0843","","","0.1683","0.2144","","","","","","1.008","","","","has coordinates,has disorder","174803","2020-10-21","18:00:00",""
"7118585","13.273","0.004","8.87","0.003","18.749","0.006","90","","90","","90","","2207.3","1.2","273","2","273","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C13 H13 N O2 -","- C13 H13 N O2 -","- C104 H104 N8 O16 -","8","1","","Jha, Abadh Kishor; Jain, Nidhi","The microwave-assisted ortho-alkylation of azine N-oxides with N-tosylhydrazones catalyzed by copper(i) iodide.","Chemical communications (Cambridge, England)","2016","52","9","1831","1834","10.1039/c5cc07833d","","","0.71073","MoKα","","0.1464","0.0951","","","0.1646","0.1831","","","","","","1.199","","","","has coordinates","174804","2020-10-21","18:00:00",""
"7118586","17.576","0.004","7.9026","0.0016","10.347","0.002","90","","100.213","0.007","90","","1414.4","0.5","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Zinc aminotriazolato oxalate","Zinc aminotriazolato oxalate","","- C6 H6 N8 O5 Zn2 -","- C6 H6 N8 O5 Zn2 -","- C24 H24 N32 O20 Zn8 -","4","1","","Banerjee, Aparna; Nandi, Shyamapada; Nasa, Parveen; Vaidhyanathan, Ramanathan","Enhancing the carbon capture capacities of a rigid ultra-microporous MOF through gate-opening at low CO2 pressures assisted by swiveling oxalate pillars.","Chemical communications (Cambridge, England)","2016","52","9","1851","1854","10.1039/c5cc08172f","","","1.54178","CuKα","","0.1141","0.1084","","","0.3081","0.3127","","","","","","1.047","","","","has coordinates","174805","2020-10-21","18:00:00",""
"7118587","9.1877","0.0004","13.6108","0.0006","12.5305","0.0005","90","","104.629","0.001","90","","1516.16","0.11","200","2","200","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","Zinc aminotriazolato oxalate","Zinc aminotriazolato oxalate","","- C9 H14 N8 O5 Zn2 -","- C9 H14 N8 O5 Zn2 -","- C36 H56 N32 O20 Zn8 -","4","1","","Banerjee, Aparna; Nandi, Shyamapada; Nasa, Parveen; Vaidhyanathan, Ramanathan","Enhancing the carbon capture capacities of a rigid ultra-microporous MOF through gate-opening at low CO2 pressures assisted by swiveling oxalate pillars.","Chemical communications (Cambridge, England)","2016","52","9","1851","1854","10.1039/c5cc08172f","","","1.54178","CuKα","","0.028","0.0271","","","0.0712","0.0719","","","","","","1.055","","","","has coordinates,has disorder","174805","2020-10-21","18:00:00",""
"7118588","17.576","0.004","7.9026","0.0016","10.347","0.002","90","","100.213","0.007","90","","1414.4","0.5","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Zinc aminotriazolato oxalate","Zinc aminotriazolato oxalate","","- C6 H6 N8 O4 Zn2 -","- C6 H6 N8 O4 Zn2 -","- C24 H24 N32 O16 Zn8 -","4","1","","Banerjee, Aparna; Nandi, Shyamapada; Nasa, Parveen; Vaidhyanathan, Ramanathan","Enhancing the carbon capture capacities of a rigid ultra-microporous MOF through gate-opening at low CO2 pressures assisted by swiveling oxalate pillars.","Chemical communications (Cambridge, England)","2016","52","9","1851","1854","10.1039/c5cc08172f","","","1.54178","CuKα","","0.0995","0.0943","","","0.253","0.2563","","","","","","1.045","","","","has coordinates","174805","2020-10-21","18:00:00",""
"7118589","8.9818","0.001","13.8656","0.0013","12.4104","0.0012","90","","105.36","0.005","90","","1490.4","0.3","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","Zinc aminotriazolato oxalate","Zinc aminotriazolato oxalate","","- C8 H11 N8 O5 Zn2 -","- C8 H11 N8 O5 Zn2 -","- C32 H44 N32 O20 Zn8 -","4","1","","Banerjee, Aparna; Nandi, Shyamapada; Nasa, Parveen; Vaidhyanathan, Ramanathan","Enhancing the carbon capture capacities of a rigid ultra-microporous MOF through gate-opening at low CO2 pressures assisted by swiveling oxalate pillars.","Chemical communications (Cambridge, England)","2016","52","9","1851","1854","10.1039/c5cc08172f","","","1.54178","CuKα","","0.1082","0.0999","","","0.2087","0.2127","","","","","","1.188","","","","has coordinates,has disorder","174805","2020-10-21","18:00:00",""
"7118590","8.9818","0.001","13.8656","0.0013","12.4104","0.0012","90","","105.36","0.005","90","","1490.4","0.3","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","Zinc aminotriazolato oxalate","Zinc aminotriazolato oxalate","","- C6 H5 N8 O4 Zn2 -","- C6 H5 N8 O4 Zn2 -","- C24 H20 N32 O16 Zn8 -","4","1","","Banerjee, Aparna; Nandi, Shyamapada; Nasa, Parveen; Vaidhyanathan, Ramanathan","Enhancing the carbon capture capacities of a rigid ultra-microporous MOF through gate-opening at low CO2 pressures assisted by swiveling oxalate pillars.","Chemical communications (Cambridge, England)","2016","52","9","1851","1854","10.1039/c5cc08172f","","","1.54178","CuKα","","0.0979","0.0896","","","0.1814","0.1852","","","","","","1.162","","","","has coordinates,has disorder","174805","2020-10-21","18:00:00",""
"7118591","11.1901","0.0009","36.49","0.003","8.194","0.0007","90","","96.076","0.002","90","","3327","0.5","298","2","298","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C31 H23 Br Cl2 I N O5 S2 -","- C31 H23 Br Cl2 I N O5 S2 -","- C124 H92 Br4 Cl8 I4 N4 O20 S8 -","4","1","","Zhu, Yi-Long; Jiang, Bo; Hao, Wen-Juan; Wang, Ai-Fang; Qiu, Jiang-Kai; Wei, Ping; Wang, De-Cai; Li, Guigen; Tu, Shu-Jiang","A new cascade halosulfonylation of 1,7-enynes toward 3,4-dihydroquinolin-2(1H)-ones via sulfonyl radical-triggered addition/6-exo-dig cyclization.","Chemical communications (Cambridge, England)","2016","52","9","1907","1910","10.1039/c5cc08895j","","","0.71073","MoKα","","0.1942","0.125","","","0.3016","0.3308","","","","","","1.062","","","","has coordinates","174806","2020-10-21","18:00:00",""
"7118592","15.6069","0.0004","26.4325","0.0008","16.6221","0.0005","90","","90.155","0.002","90","","6857.1","0.3","233","2","233.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C69 H32 Co3 N5.75 O15 -","- C69 H32 Co3 N5.75 O15 -","- C276 H128 Co12 N23 O60 -","4","1","","Wang, Xiuli; Gao, Wen-Yang; Luan, Jian; Wojtas, Lukasz; Ma, Shengqian","An effective strategy to boost the robustness of metal-organic frameworks via introduction of size-matching ligand braces.","Chemical communications (Cambridge, England)","2016","52","9","1971","1974","10.1039/c5cc09432a","","","1.54178","CuKα","","0.1215","0.0695","","","0.1786","0.2069","","","","","","1.02","","","","has coordinates,has disorder","174807","2020-10-21","18:00:00",""
"7118593","15.3816","0.0003","15.3816","0.0003","16.8215","0.0004","90","","90","","120","","3446.66","0.13","233","2","233.15","","","","","","","","","5","P -3 1 c","-P 3 2c","163","","","","- C64 H24 Co3 N5 O18.75 -","- C63.9996 H24 Co3 N4.9998 O18.7555 -","- C127.999 H48 Co6 N9.9996 O37.511 -","2","0.166667","","Wang, Xiuli; Gao, Wen-Yang; Luan, Jian; Wojtas, Lukasz; Ma, Shengqian","An effective strategy to boost the robustness of metal-organic frameworks via introduction of size-matching ligand braces.","Chemical communications (Cambridge, England)","2016","52","9","1971","1974","10.1039/c5cc09432a","","","1.54178","CuKα","","0.0704","0.0571","","","0.1561","0.1671","","","","","","1.033","","","","has coordinates,has disorder","174807","2020-10-21","18:00:00",""
"7118594","11.6963","0.0001","11.6963","0.0001","47.2239","0.0007","90","","90","","90","","6460.39","0.12","180","0.1","180","0.1","","","","","","","","5","P 43 2 2","P 4cw 2c","95","","","","- C24 H20 N8 O2 Zn2 -","- C24 H20 N8 O2 Zn2 -","- C192 H160 N64 O16 Zn16 -","8","1","","Xu, Zhong-Xuan; Ma, Yu-Lu; Zhang, Jian","Enantiopure anion templated synthesis of a zeolitic metal-organic framework.","Chemical communications (Cambridge, England)","2016","52","9","1923","1925","10.1039/c5cc09308b","","","1.54178","CuKα","","0.0497","0.0458","","","0.1504","0.1568","","","","","","1.048","","","","has coordinates","174808","2020-10-21","18:00:00",""
"7118595","43.645","0.003","43.645","0.003","43.645","0.003","90","","90","","90","","83139","10","110","2","110","2","","","","","","","","5","F m -3 m","-F 4 2 3","225","","PCN-99","","- C108 H48 In3 N12 O24 -","- C108 H48 In3 N12 O24 -","- C864 H384 In24 N96 O192 -","8","0.0416667","","Wang, Xuan; Lu, Weigang; Gu, Zhi-Yuan; Wei, Zhangwen; Zhou, Hong-Cai","Topology-guided design of an anionic bor-network for photocatalytic [Ru(bpy)3](2+) encapsulation.","Chemical communications (Cambridge, England)","2016","52","9","1926","1929","10.1039/c5cc08614k","","","0.71073","MoKα","","0.1597","0.0987","","","0.2798","0.3309","","","","","","1.117","","","","has coordinates,has disorder","174809","2020-10-21","18:00:00",""
"7118596","6.2745","0.0008","10.4378","0.0012","13.5235","0.0016","109.644","0.003","97.81","0.003","90.942","0.003","824.56","0.17","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- C23 H19 N2 -","- C23 H18 N2 -","- C46 H36 N4 -","2","1","","Chen, Kai; Tang, Xiang-Ying; Shi, Min","Rh(ii)-Catalyzed formation of pyrrolo[2,3-b]quinolines from azide-methylenecyclopropanes and isonitriles.","Chemical communications (Cambridge, England)","2016","52","9","1967","1970","10.1039/c5cc09236a","","","0.71073","MoKα","","0.0688","0.0491","","","0.1168","0.1294","","","","","","1.038","","","","has coordinates","174810","2020-10-21","18:00:00",""
"7118597","10.372","0.0001","12.1576","0.0001","21.0058","0.0002","77.946","0.001","84.483","0.001","80.041","0.001","2546.41","0.04","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C58 H66 N4 O4 -","- C58 H66 N4 O4 -","- C116 H132 N8 O8 -","2","1","","Chen, Kai; Tang, Xiang-Ying; Shi, Min","Rh(ii)-Catalyzed formation of pyrrolo[2,3-b]quinolines from azide-methylenecyclopropanes and isonitriles.","Chemical communications (Cambridge, England)","2016","52","9","1967","1970","10.1039/c5cc09236a","","","1.54178","CuKα","","0.0517","0.0444","","","0.1255","0.1347","","","","","","1.003","","","","has coordinates,has disorder","174810","2020-10-21","18:00:00",""
"7118598","12.014","0.002","15.518","0.003","15.75","0.002","90","","90","","90","","2936.3","0.8","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C26 H41 Br2 Fe N P2 -","- C26 H41 Br2 Fe N P2 -","- C104 H164 Br8 Fe4 N4 P8 -","4","1","","Chakraborty, Subrata; Leitus, Gregory; Milstein, David","Selective hydrogenation of nitriles to primary amines catalyzed by a novel iron complex.","Chemical communications (Cambridge, England)","2016","52","9","1812","1815","10.1039/c5cc08204h","","","0.71073","MoKα","","0.0435","0.0333","","","0.0767","0.0814","","","","","","1.036","","","","has coordinates","174811","2020-10-21","18:00:00",""
"7118599","5.6674","0.0019","8.267","0.003","9.097","0.003","101.836","0.008","101.813","0.006","92.712","0.006","406.5","0.2","200","2","200","2","","","","","","","","3","P 1","P 1","1","","","","- C21 H19 P -","- C21 H19 P -","- C21 H19 P -","1","1","","Itazaki, Masumi; Katsube, Shinya; Kamitani, Masahiro; Nakazawa, Hiroshi","Synthesis of vinylphosphines and unsymmetric diphosphines: iron-catalyzed selective hydrophosphination reaction of alkynes and vinylphosphines with secondary phosphines.","Chemical communications (Cambridge, England)","2016","52","15","3163","3166","10.1039/c5cc10185a","","","0.7107","MoKα","","0.0463","0.0439","","","0.0984","0.0997","","","","","","1.052","","","","has coordinates","177652","2020-10-21","18:00:00",""
"7118600","16.561","0.006","5.936","0.002","17.511","0.006","90","","111.673","0.003","90","","1599.7","1","200","2","200","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C20 H18 N P -","- C20 H18 N P -","- C80 H72 N4 P4 -","4","1","","Itazaki, Masumi; Katsube, Shinya; Kamitani, Masahiro; Nakazawa, Hiroshi","Synthesis of vinylphosphines and unsymmetric diphosphines: iron-catalyzed selective hydrophosphination reaction of alkynes and vinylphosphines with secondary phosphines.","Chemical communications (Cambridge, England)","2016","52","15","3163","3166","10.1039/c5cc10185a","","","0.710747","MoKα","","0.0423","0.0369","","","0.0962","0.0997","","","","","","1.033","","","","has coordinates","177652","2020-10-21","18:00:00",""
"7118601","9.5281","0.001","11.4269","0.0012","17.881","0.002","90","","90","","90","","1946.8","0.4","200","2","200","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C24 H21 Fe P -","- C24 H21 Fe P -","- C96 H84 Fe4 P4 -","4","1","","Itazaki, Masumi; Katsube, Shinya; Kamitani, Masahiro; Nakazawa, Hiroshi","Synthesis of vinylphosphines and unsymmetric diphosphines: iron-catalyzed selective hydrophosphination reaction of alkynes and vinylphosphines with secondary phosphines.","Chemical communications (Cambridge, England)","2016","52","15","3163","3166","10.1039/c5cc10185a","","","0.7107","MoKα","","0.0768","0.0602","","","0.15","0.164","","","","","","1.057","","","","has coordinates","177652","2020-10-21","18:00:00",""
"7118602","13.7817","0.0011","5.8294","0.0004","22.8279","0.0017","90","","97.672","0.004","90","","1817.6","0.2","200","2","200","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C22 H22 N P -","- C22 H22 N P -","- C88 H88 N4 P4 -","4","1","","Itazaki, Masumi; Katsube, Shinya; Kamitani, Masahiro; Nakazawa, Hiroshi","Synthesis of vinylphosphines and unsymmetric diphosphines: iron-catalyzed selective hydrophosphination reaction of alkynes and vinylphosphines with secondary phosphines.","Chemical communications (Cambridge, England)","2016","52","15","3163","3166","10.1039/c5cc10185a","","","0.7107","MoKα","","0.0762","0.0518","","","0.1148","0.1281","","","","","","1.072","","","","has coordinates","177652","2020-10-21","18:00:00",""
"7118603","18.2866","0.0007","6.0518","0.0002","25.5425","0.001","90","","94.9633","0.0017","90","","2816.11","0.18","200","2","200","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C34 H33 N P2 -","- C34 H33 N P2 -","- C136 H132 N4 P8 -","4","1","","Itazaki, Masumi; Katsube, Shinya; Kamitani, Masahiro; Nakazawa, Hiroshi","Synthesis of vinylphosphines and unsymmetric diphosphines: iron-catalyzed selective hydrophosphination reaction of alkynes and vinylphosphines with secondary phosphines.","Chemical communications (Cambridge, England)","2016","52","15","3163","3166","10.1039/c5cc10185a","","","0.7107","MoKα","","0.0652","0.0486","","","0.1013","0.1113","","","","","","1.086","","","","has coordinates","177652","2020-10-21","18:00:00",""
"7118604","7.4495","0.0018","13.489","0.003","8.484","0.002","90","","112.353","0.004","90","","788.5","0.3","200","2","200","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C17 H23 Fe N O -","- C17 H23 Fe N O -","- C34 H46 Fe2 N2 O2 -","2","0.5","","Itazaki, Masumi; Katsube, Shinya; Kamitani, Masahiro; Nakazawa, Hiroshi","Synthesis of vinylphosphines and unsymmetric diphosphines: iron-catalyzed selective hydrophosphination reaction of alkynes and vinylphosphines with secondary phosphines.","Chemical communications (Cambridge, England)","2016","52","15","3163","3166","10.1039/c5cc10185a","","","0.7107","MoKα","","0.0427","0.039","","","0.0923","0.0939","","","","","","1.128","","","","has coordinates,has disorder","177652","2020-10-21","18:00:00",""
"7118605","13.439","0.004","9.537","0.003","20.11","0.005","90","","91.374","0.004","90","","2576.7","1.3","200","2","200","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C31 H31 Fe O P -","- C31 H31 Fe O P -","- C124 H124 Fe4 O4 P4 -","4","1","","Itazaki, Masumi; Katsube, Shinya; Kamitani, Masahiro; Nakazawa, Hiroshi","Synthesis of vinylphosphines and unsymmetric diphosphines: iron-catalyzed selective hydrophosphination reaction of alkynes and vinylphosphines with secondary phosphines.","Chemical communications (Cambridge, England)","2016","52","15","3163","3166","10.1039/c5cc10185a","","","0.7107","MoKα","","0.0975","0.076","","","0.1397","0.1529","","","","","","1.164","","","","has coordinates","177652","2020-10-21","18:00:00",""
"7118606","10.8265","0.0001","11.9861","0","13.0692","0.0004","81.455","0.007","88.558","0.007","63.176","0.004","1494.98","0.08","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","","","- C35 H36 Fe O P2 -","- C35 H36 Fe O P2 -","- C70 H72 Fe2 O2 P4 -","2","1","","Itazaki, Masumi; Katsube, Shinya; Kamitani, Masahiro; Nakazawa, Hiroshi","Synthesis of vinylphosphines and unsymmetric diphosphines: iron-catalyzed selective hydrophosphination reaction of alkynes and vinylphosphines with secondary phosphines.","Chemical communications (Cambridge, England)","2016","52","15","3163","3166","10.1039/c5cc10185a","","","0.7107","MoKα","","0.0373","0.0345","","","0.089","0.0919","","","","","","1.059","","","","has coordinates,has disorder","177652","2020-10-21","18:00:00",""
"7118607","8.282","","9.8286","0.0001","14.5509","0.0001","74.635","0.007","73.74","0.008","75.57","0.007","1076.66","0.06","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H29 Fe O P -","- C24 H29 Fe O P -","- C48 H58 Fe2 O2 P2 -","2","1","","Itazaki, Masumi; Katsube, Shinya; Kamitani, Masahiro; Nakazawa, Hiroshi","Synthesis of vinylphosphines and unsymmetric diphosphines: iron-catalyzed selective hydrophosphination reaction of alkynes and vinylphosphines with secondary phosphines.","Chemical communications (Cambridge, England)","2016","52","15","3163","3166","10.1039/c5cc10185a","","","0.7107","MoKα","","0.0452","0.0383","","","0.0895","0.0941","","","","","","1.061","","","","has coordinates","177652","2020-10-21","18:00:00",""
"7118608","31.68","0.006","38.34","0.008","41.12","0.008","90","","90","","90","","49945","17","293","2","293","2","","","","","","","","8","P c c n","-P 2ab 2ac","56","","","","- C1401 H1152 B16 N125 O181 P32 Pt16 S32 -","- C1412.32 H1152 B16 N129.44 O185.44 P32 Pt16 S32 -","- C1412.32 H1152 B16 N129.44 O185.44 P32 Pt16 S32 -","1","0.125","","Kaloudi-Chantzea, Antonia; Martinou, Elisabeth; Seintis, Kostas; Karakostas, Nikolaos; Giastas, Petros; Pitterl, Florian; Oberacher, Herbert; Fakis, Mihalis; Pistolis, George","Formation of a highly-ordered rigid multichromophoric 3D supramolecular network by combining ionic and coordination-driven self-assembly.","Chemical communications (Cambridge, England)","2016","52","16","3388","3391","10.1039/c5cc10335e","","","0.756","","","0.1915","0.1252","","","0.2421","0.288","","","","","","1.299","","","","has coordinates","177670","2020-10-21","18:00:00",""
"7118609","11.5013","0.0005","11.9173","0.0005","13.3035","0.0006","102.745","0.002","106.178","0.002","112.038","0.002","1511.12","0.12","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C34 H37 Al N2 O7 -","- C34 H37 Al N2 O7 -","- C68 H74 Al2 N4 O14 -","2","1","","Saikawa, Makoto; Daicho, Manami; Nakamura, Takashi; Uchida, Junji; Yamamura, Masaki; Nabeshima, Tatsuya","Synthesis of a new family of ionophores based on aluminum-dipyrrin complexes (ALDIPYs) and their strong recognition of alkaline earth ions.","Chemical communications (Cambridge, England)","2016","52","21","4014","4017","10.1039/c6cc00250a","","","0.71073","MoKα","","0.1108","0.0573","","","0.1634","0.1942","","","","","","1.164","","","","has coordinates","181557","2020-10-21","18:00:00",""
"7118610","17.1558","0.0006","11.8814","0.0004","24.8691","0.0008","90","","90","","90","","5069.2","0.3","120","2","120","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C32 H27 B N2 O4 -","- C32 H27 B N2 O4 -","- C256 H216 B8 N16 O32 -","8","1","","Saikawa, Makoto; Daicho, Manami; Nakamura, Takashi; Uchida, Junji; Yamamura, Masaki; Nabeshima, Tatsuya","Synthesis of a new family of ionophores based on aluminum-dipyrrin complexes (ALDIPYs) and their strong recognition of alkaline earth ions.","Chemical communications (Cambridge, England)","2016","52","21","4014","4017","10.1039/c6cc00250a","","","0.71073","MoKα","","0.0845","0.0518","","","0.1454","0.17","","","","","","1.046","","","","has coordinates","181557","2020-10-21","18:00:00",""
"7118611","24.6207","0.0014","7.271","0.003","35.445","0.006","90","","111.987","0.003","90","","5884","3","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C64 H59 Al2 N4 Na O11 -","- C64 H55 Al2 N4 Na O11 -","- C256 H220 Al8 N16 Na4 O44 -","4","0.5","","Saikawa, Makoto; Daicho, Manami; Nakamura, Takashi; Uchida, Junji; Yamamura, Masaki; Nabeshima, Tatsuya","Synthesis of a new family of ionophores based on aluminum-dipyrrin complexes (ALDIPYs) and their strong recognition of alkaline earth ions.","Chemical communications (Cambridge, England)","2016","52","21","4014","4017","10.1039/c6cc00250a","","","0.71073","MoKα","","0.1919","0.1208","","","0.3497","0.3923","","","","","","1.314","","","","has coordinates,has disorder","181557","2020-10-21","18:00:00",""
"7118612","23.498","0.004","38.393","0.007","23.36","0.004","90","","91.08","0.003","90","","21071","6","120","2","120","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C60 H50 N4 O6 -","- C60 H48 N4 O7 -","- C960 H768 N64 O112 -","16","2","","Saikawa, Makoto; Daicho, Manami; Nakamura, Takashi; Uchida, Junji; Yamamura, Masaki; Nabeshima, Tatsuya","Synthesis of a new family of ionophores based on aluminum-dipyrrin complexes (ALDIPYs) and their strong recognition of alkaline earth ions.","Chemical communications (Cambridge, England)","2016","52","21","4014","4017","10.1039/c6cc00250a","","","0.71073","MoKα","","0.0989","0.0623","","","0.1701","0.1857","","","","","","1.107","","","","has coordinates","193656","2020-10-21","18:00:00",""
"7118613","13.3625","0.0009","13.7619","0.0009","28.7802","0.0018","90","","90.967","0.003","90","","5291.7","0.6","120","2","120","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C32 H30 N2 O4 -","- C32 H29 N2 O4 -","- C256 H232 N16 O32 -","8","2","","Saikawa, Makoto; Daicho, Manami; Nakamura, Takashi; Uchida, Junji; Yamamura, Masaki; Nabeshima, Tatsuya","Synthesis of a new family of ionophores based on aluminum-dipyrrin complexes (ALDIPYs) and their strong recognition of alkaline earth ions.","Chemical communications (Cambridge, England)","2016","52","21","4014","4017","10.1039/c6cc00250a","","","0.71073","MoKα","","0.1468","0.0969","","","0.2289","0.2529","","","","","","1.428","","","","has coordinates","193656","2020-10-21","18:00:00",""
"7118614","15.4739","0.0002","57.1814","0.0006","24.7469","0.0003","90","","94.602","0.001","90","","21825.9","0.5","100","2","100","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C168 H118 N10 O31 Zn8 -","- C168 H118 N10 O31 Zn8 -","- C672 H472 N40 O124 Zn32 -","4","1","","Bag, Partha Pratim; Wang, Dong; Chen, Zhuo; Cao, Rong","Outstanding drug loading capacity by water stable microporous MOF: a potential drug carrier.","Chemical communications (Cambridge, England)","2016","52","18","3669","3672","10.1039/c5cc09925k","","","1.54184","CuKα","","0.1302","0.1114","","","0.2154","0.2419","","","","","","1.364","","","","has coordinates","177645","2020-10-21","18:00:00",""
"7118615","14.385","0.003","25.076","0.005","17.318","0.004","90","","107.02","0.03","90","","5973","2","293","2","293","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C57 H62 Au Cl5 N2 O4 P2 Ru -","- C57 H62 Au Cl5 N2 O4 P2 Ru -","- C228 H248 Au4 Cl20 N8 O16 P8 Ru4 -","4","1","","Fernández-Gallardo, Jacob; Elie, Benelita T.; Sanaú, Mercedes; Contel, María","Versatile synthesis of cationic N-heterocyclic carbene-gold(i) complexes containing a second ancillary ligand. Design of heterobimetallic ruthenium-gold anticancer agents.","Chemical communications (Cambridge, England)","2016","52","15","3155","3158","10.1039/c5cc09718e","","","0.71073","MoKα","","0.107","0.0548","","","0.1491","0.2066","","","","","","1.026","","","","has coordinates","177664","2020-10-21","18:00:00",""
"7118616","21.2","0.004","14.09","0.003","22.972","0.005","90","","93.02","0.03","90","","6852","2","293","2","293","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C62 H72 Au Cl3 N2 O4 P2 Ru -","- C62 H72 Au Cl3 N2 O4 P2 Ru -","- C248 H288 Au4 Cl12 N8 O16 P8 Ru4 -","4","1","","Fernández-Gallardo, Jacob; Elie, Benelita T.; Sanaú, Mercedes; Contel, María","Versatile synthesis of cationic N-heterocyclic carbene-gold(i) complexes containing a second ancillary ligand. Design of heterobimetallic ruthenium-gold anticancer agents.","Chemical communications (Cambridge, England)","2016","52","15","3155","3158","10.1039/c5cc09718e","","","0.71073","MoKα","","0.0845","0.0657","","","0.1929","0.2056","","","","","","0.889","","","","has coordinates","177664","2020-10-21","18:00:00",""
"7118617","23.4136","0.0016","11.6676","0.0008","35.146","0.003","90","","102.822","0.004","90","","9361.8","1.2","173","2","173","2","","","","","","","","8","I 1 2/a 1","-I 2ya","15","","","","- C43 H45 B2 F15 N2 Ni O2 P2 -","- C43 H45 B2 F15 N2 Ni O2 P2 -","- C344 H360 B16 F120 N16 Ni8 O16 P16 -","8","1","","Ríos, Pablo; Curado, Natalia; López-Serrano, Joaquín; Rodríguez, Amor","Selective reduction of carbon dioxide to bis(silyl)acetal catalyzed by a PBP-supported nickel complex.","Chemical communications (Cambridge, England)","2016","52","10","2114","2117","10.1039/c5cc09650b","","","0.71073","MoKα","","0.0542","0.0372","","","0.1237","0.1405","","","","","","1.031","","","","has coordinates","175115","2020-10-21","18:00:00",""
"7118618","10.8323","0.0005","15.4988","0.0008","24.841","0.0013","103.448","0.0014","97.059","0.0013","107.037","0.0013","3795.4","0.3","150.15","","150.15","","","","","","","","","5","P -1","-P 1","2","","","","- C72 H90 N7 O2 Rh -","- C72 H90 N7 O2 Rh -","- C144 H180 N14 O4 Rh2 -","2","1","","Kleinhans, George; Guisado-Barrios, Gregorio; Liles, David C.; Bertrand, Guy; Bezuidenhout, Daniela I.","A rhodium(i)-oxygen adduct as a selective catalyst for one-pot sequential alkyne dimerization-hydrothiolation tandem reactions.","Chemical communications (Cambridge, England)","2016","52","17","3504","3507","10.1039/c6cc00029k","","","0.71073","MoKα","","0.1086","0.066","","","0.1716","0.1896","","","","","","1.046","","","","has coordinates,has disorder","181577","2020-10-21","18:00:00",""
"7118619","16.2214","0.0004","24.0518","0.0005","15.2494","0.0003","90","","108.856","0.0009","90","","5630.3","0.2","150.15","","150.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C60 H69 Cl F6 N7 P -","- C60 H69 Cl F6 N7 P -","- C240 H276 Cl4 F24 N28 P4 -","4","1","","Kleinhans, George; Guisado-Barrios, Gregorio; Liles, David C.; Bertrand, Guy; Bezuidenhout, Daniela I.","A rhodium(i)-oxygen adduct as a selective catalyst for one-pot sequential alkyne dimerization-hydrothiolation tandem reactions.","Chemical communications (Cambridge, England)","2016","52","17","3504","3507","10.1039/c6cc00029k","","","1.54178","CuKα","","0.047","0.043","","","0.1107","0.1137","","","","","","1.042","","","","has coordinates,has disorder","181577","2020-10-21","18:00:00",""
"7118620","8.3991","0.0006","10.1015","0.0007","13.5475","0.0009","69.158","0.001","78.162","0.001","84.594","0.001","1051.08","0.13","153","2","153","1","","","","","","","","7","P -1","-P 1","2","","","","- C15 H20 F3 N4 O3 P S3 -","- C15 H20 F3 N4 O3 P S3 -","- C30 H40 F6 N8 O6 P2 S6 -","2","1","","Henne, Florian D.; Watt, Fabian A.; Schwedtmann, Kai; Hennersdorf, Felix; Kokoschka, Malte; Weigand, Jan J.","Tetra-cationic imidazoliumyl-substituted phosphorus-sulfur heterocycles from a cationic organophosphorus sulfide.","Chemical communications (Cambridge, England)","2016","52","10","2023","2026","10.1039/c5cc08182c","","","0.71073","MoKα","","0.0568","0.0412","","","0.0975","0.1064","","","","","","1.029","","","","has coordinates","175118","2020-10-21","18:00:00",""
"7118621","6.5855","0.0004","12.5308","0.0006","12.4698","0.0007","90","","91.568","0.002","90","","1028.64","0.1","153","","153","","","","","","","","","7","P 1 21/m 1","-P 2yb","11","","","","- C15 H20 F3 N4 O3 P S3 -","- C15 H20 F3 N4 O3 P S3 -","- C30 H40 F6 N8 O6 P2 S6 -","2","0.5","","Henne, Florian D.; Watt, Fabian A.; Schwedtmann, Kai; Hennersdorf, Felix; Kokoschka, Malte; Weigand, Jan J.","Tetra-cationic imidazoliumyl-substituted phosphorus-sulfur heterocycles from a cationic organophosphorus sulfide.","Chemical communications (Cambridge, England)","2016","52","10","2023","2026","10.1039/c5cc08182c","","","0.71073","MoKα","","0.0406","0.0369","","","0.1027","0.1055","","","","","","1.061","","","","has coordinates","175119","2020-10-21","18:00:00",""
"7118622","9.1184","0.0007","13.9277","0.001","25.5013","0.0018","101.117","0.001","91.826","0.001","94.621","0.001","3163.8","0.4","153","2","153","1","","","","","","","","7","P -1","-P 1","2","","","","- C38 H57 F12 N11 O12 P4 S8 -","- C38 H57 F12 N11 O12 P4 S8 -","- C76 H114 F24 N22 O24 P8 S16 -","2","1","","Henne, Florian D.; Watt, Fabian A.; Schwedtmann, Kai; Hennersdorf, Felix; Kokoschka, Malte; Weigand, Jan J.","Tetra-cationic imidazoliumyl-substituted phosphorus-sulfur heterocycles from a cationic organophosphorus sulfide.","Chemical communications (Cambridge, England)","2016","52","10","2023","2026","10.1039/c5cc08182c","","","0.71073","MoKα","","0.0651","0.0456","","","0.1102","0.1207","","","","","","1.038","","","","has coordinates","175120","2020-10-21","18:00:00",""
"7118623","17.5055","0.0004","17.5055","0.0004","13.3734","0.0006","90","","90","","90","","4098.2","0.2","100","","100","","","","","","","","","7","I 4","I 4","79","","","","- C48 H80 F12 N8 O12 P4 S8 -","- C48 H80 F12 N8 O12 P4 S8 -","- C96 H160 F24 N16 O24 P8 S16 -","2","0.25","","Henne, Florian D.; Watt, Fabian A.; Schwedtmann, Kai; Hennersdorf, Felix; Kokoschka, Malte; Weigand, Jan J.","Tetra-cationic imidazoliumyl-substituted phosphorus-sulfur heterocycles from a cationic organophosphorus sulfide.","Chemical communications (Cambridge, England)","2016","52","10","2023","2026","10.1039/c5cc08182c","","","0.71073","MoKα","","0.0784","0.0623","","","0.1627","0.1761","","","","","","1.046","","","","has coordinates,has disorder","175121","2020-10-21","18:00:00",""
"7118624","19.4474","0.0011","10.8872","0.0005","9.4942","0.0005","90","","99.138","0.005","90","","1984.67","0.18","100","1","100","1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H33 N O5 -","- C19 H33 N O5 -","- C76 H132 N4 O20 -","4","1","","Álvarez-Méndez, Sergio J; García, Celina; Martín, Víctor S","The Evans Aldol-Prins cyclization: a general and stereoselective method for the synthesis of 2,3,4,5,6-pentasubstituted tetrahydropyrans.","Chemical communications (Cambridge, England)","2016","52","16","3380","3383","10.1039/c6cc00160b","","x-ray","1.54184","CuKα","","0.0895","0.0788","","","0.2167","0.2303","","","","","","1.038","","","","has coordinates,has disorder","177669","2020-10-21","18:00:00",""
"7118625","7.2543","0.0011","10.8861","0.0017","12.636","0.002","90","","90","","90","","997.9","0.3","296","2","296","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","1-phenylimidazo[1,5-a]pyridine","","- C13 H10 N2 -","- C13 H10 N2 -","- C52 H40 N8 -","4","1","","Li, Yajun; Chao, Allen; Fleming, Fraser F.","Isonitrile alkylations: a rapid route to imidazo[1,5-a]pyridines.","Chemical communications (Cambridge, England)","2016","52","10","2111","2113","10.1039/c5cc08724d","","","0.71073","MoKα","","0.0656","0.0577","","","0.1365","0.1449","","","","","","1.139","","","","has coordinates","175123","2020-10-21","18:00:00",""
"7118626","30.871","0.003","30.871","0.003","10.6581","0.0014","90","","90","","90","","10157.4","1.9","296","2","296","2","","","","","","","","6","P 42/n b c","-P 4ac 2b","133","","","","- C74 H54 N2 Na2 O10 Zn -","- C74 H54 N2 Na2 O10 Zn -","- C296 H216 N8 Na8 O40 Zn4 -","4","","","Chen, Dashu; Xing, Hongzhu; Su, Zhongmin; Wang, Chungang","Electrical conductivity and electroluminescence of a new anthracene-based metal-organic framework with π-conjugated zigzag chains.","Chemical communications (Cambridge, England)","2016","52","10","2019","2022","10.1039/c5cc09065b","","","0.71073","MoKα","","0.1121","0.0581","","","0.1666","0.2018","","","","","","0.978","","","","has coordinates","175124","2020-10-21","18:00:00",""
"7118627","13.113","0.006","29.058","0.014","30.167","0.012","90","","90","","90","","11495","9","100","16","100","16","","","","","","","","4","C c c m","-C 2 2c","66","","UTSA-68","","- C40 H26 Cu2 O10 -","- C40 H26 Cu2 O10 -","- C160 H104 Cu8 O40 -","4","0.25","","Chang, Ganggang; Li, Bin; Wang, Hailong; Hu, Tongliang; Bao, Zongbi; Chen, Banglin","Control of interpenetration in a microporous metal-organic framework for significantly enhanced C2H2/CO2 separation at room temperature.","Chemical communications (Cambridge, England)","2016","52","17","3494","3496","10.1039/c5cc10598f","","","0.71073","MoKα","","0.0989","0.061","","","0.1713","0.1955","","","","","","0.64","","","","has coordinates","177706","2020-10-21","18:00:00",""
"7118628","9.818","0.0006","18.2883","0.0013","13.7042","0.0007","90","","97.628","0.005","90","","2438.9","0.3","285.07","0.1","285.07","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H25 B2 N2 P -","- C26 H25 B2 N2 P -","- C104 H100 B8 N8 P4 -","4","1","","Liu, Tianlin; Qi, Xiujuan; Huang, Shi; Jiang, Linhai; Li, Jianling; Tang, Chenglong; Zhang, Qinghua","Exploiting hydrophobic borohydride-rich ionic liquids as faster-igniting rocket fuels.","Chemical communications (Cambridge, England)","2016","52","10","2031","2034","10.1039/c5cc09737a","","x-ray","0.71073","MoKα","","0.1777","0.0725","","","0.1544","0.2096","","","","","","0.982","","","","has coordinates","175126","2020-10-21","18:00:00",""
"7118629","12.7251","0.0004","13.0624","0.0004","20.4974","0.0007","82.857","0.003","74.521","0.003","88.927","0.003","3257.65","0.19","130.01","0.1","130.01","0.1","","","101","","","","","5","P -1","-P 1","2","","Sodium terbium tungsten oxide hydrate","","- H70 Na9 O71 Tb W10 -","- Na9 O71 Tb W10 -","- Na18 O142 Tb2 W20 -","2","1","","Vonci, Michele; Giansiracusa, Marcus J.; Gable, Robert W.; Van den Heuvel, Willem; Latham, Kay; Moubaraki, Boujemaa; Murray, Keith S.; Yu, Dehong; Mole, Richard A.; Soncini, Alessandro; Boskovic, Colette","Ab initio calculations as a quantitative tool in the inelastic neutron scattering study of a single-molecule magnet analogue.","Chemical communications (Cambridge, England)","2016","52","10","2091","2094","10.1039/c5cc07541f","","x-ray","1.54184","CuKα","","0.0501","0.0476","","","0.1329","0.1365","","","","","","1.085","","","","has coordinates","204136","2020-10-21","18:00:00",""
"7118630","12.8949","0.0005","13.1098","0.0005","20.9057","0.0007","76.956","0.003","83.954","0.003","77.348","0.003","3353.5","0.2","131.1","0.1","131.1","0.1","","","","","","","","5","P -1","-P 1","2","","","","- H72 Na9 O72 Tb W10 -","- Na8.998 O72 Tb W10 -","- Na17.996 O144 Tb2 W20 -","2","1","","Vonci, Michele; Giansiracusa, Marcus J.; Gable, Robert W.; Van den Heuvel, Willem; Latham, Kay; Moubaraki, Boujemaa; Murray, Keith S.; Yu, Dehong; Mole, Richard A.; Soncini, Alessandro; Boskovic, Colette","Ab initio calculations as a quantitative tool in the inelastic neutron scattering study of a single-molecule magnet analogue.","Chemical communications (Cambridge, England)","2016","52","10","2091","2094","10.1039/c5cc07541f","","x-ray","1.54184","CuKα","","0.0439","0.0353","","","0.0863","0.0912","","","","","","1.052","","","","has coordinates,has disorder","204136","2020-10-21","18:00:00",""
"7118631","12.7357","0.0005","13.0732","0.0004","20.4565","0.0008","82.865","0.003","74.492","0.004","88.859","0.003","3256.2","0.2","130.01","0.1","130.01","0.1","","","101","","","","","5","P -1","-P 1","2","","Sodium terbium yttrium oxide hydrate","","- H70 Na9 O71 W10 Y -","- Na9 O71 W10 Y -","- Na18 O142 W20 Y2 -","2","1","","Vonci, Michele; Giansiracusa, Marcus J.; Gable, Robert W.; Van den Heuvel, Willem; Latham, Kay; Moubaraki, Boujemaa; Murray, Keith S.; Yu, Dehong; Mole, Richard A.; Soncini, Alessandro; Boskovic, Colette","Ab initio calculations as a quantitative tool in the inelastic neutron scattering study of a single-molecule magnet analogue.","Chemical communications (Cambridge, England)","2016","52","10","2091","2094","10.1039/c5cc07541f","","x-ray","1.54184","CuKα","","0.0446","0.0354","","","0.0822","0.0879","","","","","","1.017","","","","has coordinates","204136","2020-10-21","18:00:00",""
"7118632","7.7128","0.0001","8.5049","0.0001","26.8442","0.0004","90","","90","","90","","1760.89","0.04","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","(R)-3-(4-fluorophenyl)-3-(o-tolylthio)isoindolin-1-one","","- C21 H15 F N O S -","- C21 H15 F N O S -","- C84 H60 F4 N4 O4 S4 -","4","1","","Suć, Josipa; Dokli, Irena; Gredičak, Matija","Chiral Brønsted acid-catalysed enantioselective synthesis of isoindolinone-derived N(acyl),S-acetals.","Chemical communications (Cambridge, England)","2016","52","10","2071","2074","10.1039/c5cc08813e","","","1.54184","CuKα","","0.0385","0.0382","","","0.1085","0.1088","","","","","","1.1","","","","has coordinates","206489","2020-10-21","18:00:00",""
"7118633","12.8268","0.0014","13.2644","0.0013","24.5245","0.0007","96.008","0.005","95.267","0.006","118.65","0.011","3593.1","0.7","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","","","- C40.5 H40.5 Cl1.5 N4 O2 S4 -","- C40 H40 N4 O2 S4 -","- C160 H160 N16 O8 S16 -","4","2","","Llewellyn, Ben A.; Davies, E. Stephen; Pfeiffer, Constance R.; Cooper, Mick; Lewis, William; Champness, Neil R.","Thionated perylene diimides with intense absorbance in the near-IR.","Chemical communications (Cambridge, England)","2016","52","10","2099","2102","10.1039/c5cc09962e","","x-ray","1.54184","CuKα","","0.1863","0.1488","","","0.3777","0.4157","","","","","","1.264","","","","has coordinates,has disorder","175129","2020-10-21","18:00:00",""
"7118634","10.5929","0.0005","13.3915","0.0008","15.0416","0.0008","93.393","0.005","105.711","0.005","107.519","0.005","1935.6","0.2","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","","","- C41 H41 Cl3 N4 O2 S4 -","- C41 H41 Cl3 N4 O2 S4 -","- C82 H82 Cl6 N8 O4 S8 -","2","1","","Llewellyn, Ben A.; Davies, E. Stephen; Pfeiffer, Constance R.; Cooper, Mick; Lewis, William; Champness, Neil R.","Thionated perylene diimides with intense absorbance in the near-IR.","Chemical communications (Cambridge, England)","2016","52","10","2099","2102","10.1039/c5cc09962e","","x-ray","1.54184","CuKα","","0.0738","0.0605","","","0.1541","0.1664","","","","","","1.024","","","","has coordinates,has disorder","175129","2020-10-21","18:00:00",""
"7118635","12.7735","0.0002","8.3815","0.0001","32.1723","0.0005","90","","111.684","0.001","90","","3200.66","0.08","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C40 H40 N4 O6 -","- C40 H40 N4 O6 -","- C160 H160 N16 O24 -","4","1","","Llewellyn, Ben A.; Davies, E. Stephen; Pfeiffer, Constance R.; Cooper, Mick; Lewis, William; Champness, Neil R.","Thionated perylene diimides with intense absorbance in the near-IR.","Chemical communications (Cambridge, England)","2016","52","10","2099","2102","10.1039/c5cc09962e","","","1.5418","CuKα","","0.0476","0.0436","","","0.1236","0.1269","","","","","","1.039","","","","has coordinates","175129","2020-10-21","18:00:00",""
"7118636","13.8281","0.0009","17.5883","0.0011","23.8941","0.0016","80.217","0.002","75.331","0.002","84.33","0.003","5530.7","0.6","122","2","122","2","","","","","","","","9","P -1","-P 1","2","","","","- C95.19 H158.44 Cl11.82 Mo3 O0.39 P4 Pd2 Ru2 S4 -","- C95.185 H158.323 Cl11.815 Mo3 O0.395 P4 Pd2 Ru2 S4 -","- C190.37 H316.646 Cl23.63 Mo6 O0.79 P8 Pd4 Ru4 S8 -","2","1","","Reinholdt, Anders; Herbst, Konrad; Bendix, Jesper","Delivering carbide ligands to sulfide-rich clusters.","Chemical communications (Cambridge, England)","2016","52","10","2015","2018","10.1039/c5cc08918b","","","0.71073","MoKα","","0.0482","0.0314","","","0.063","0.0686","","","","","","1.018","","","","has coordinates,has disorder","175130","2020-10-21","18:00:00",""
"7118637","22.0554","0.0019","9.9627","0.0009","36.388","0.003","90","","93.738","0.002","90","","7978.6","1.2","122","2","122","2","","","","","","","","9","P 1 21/c 1","-P 2ybc","14","","","","- C65 H97 Cl11 Mo3 O3 P2 Pt Ru S5 -","- C65 H97 Cl11 Mo3 O3 P2 Pt Ru S5 -","- C260 H388 Cl44 Mo12 O12 P8 Pt4 Ru4 S20 -","4","1","","Reinholdt, Anders; Herbst, Konrad; Bendix, Jesper","Delivering carbide ligands to sulfide-rich clusters.","Chemical communications (Cambridge, England)","2016","52","10","2015","2018","10.1039/c5cc08918b","","","0.71073","MoKα","","0.0789","0.0553","","","0.1049","0.1117","","","","","","1.12","","","","has coordinates,has disorder","175130","2020-10-21","18:00:00",""
"7118638","13.8702","0.0004","17.6143","0.0005","23.8397","0.0008","80.295","0.001","75.255","0.001","83.949","0.001","5540","0.3","122","2","122","2","","","","","","","","9","P -1","-P 1","2","","","","- C94.65 H154.79 Cl12.35 O0.22 P4 Pd2 Ru2 S4 W3 -","- C94.648 H154.784 Cl12.352 O0.216 P4 Pd2 Ru2 S4 W3 -","- C189.296 H309.568 Cl24.704 O0.432 P8 Pd4 Ru4 S8 W6 -","2","1","","Reinholdt, Anders; Herbst, Konrad; Bendix, Jesper","Delivering carbide ligands to sulfide-rich clusters.","Chemical communications (Cambridge, England)","2016","52","10","2015","2018","10.1039/c5cc08918b","","","0.71073","MoKα","","0.0533","0.0359","","","0.0755","0.0839","","","","","","1.043","","","","has coordinates,has disorder","175130","2020-10-21","18:00:00",""
"7118639","22.1025","0.0017","9.9658","0.0008","36.424","0.003","90","","93.775","0.002","90","","8005.7","1.1","122","2","122","2","","","","","","","","9","P 1 21/c 1","-P 2ybc","14","","","","- C65 H97 Cl11 O3 P2 Pt Ru S5 W3 -","- C65 H97 Cl11 O3 P2 Pt Ru S5 W3 -","- C260 H388 Cl44 O12 P8 Pt4 Ru4 S20 W12 -","4","1","","Reinholdt, Anders; Herbst, Konrad; Bendix, Jesper","Delivering carbide ligands to sulfide-rich clusters.","Chemical communications (Cambridge, England)","2016","52","10","2015","2018","10.1039/c5cc08918b","","","0.71073","MoKα","","0.0814","0.052","","","0.0977","0.1056","","","","","","1.118","","","","has coordinates,has disorder","175130","2020-10-21","18:00:00",""
"7118640","9.636","0.003","17.256","0.005","18.491","0.007","91.1","0.014","97.986","0.016","99.976","0.012","2995.9","1.7","122","2","122","2","","","","","","","","10","P -1","-P 1","2","","","","- C47 H86.5 B Cl5 Cu F4 O0.75 P2 Ru S3 -","- C47 H86.5 B Cl5 Cu F4 O0.75 P2 Ru S3 -","- C94 H173 B2 Cl10 Cu2 F8 O1.5 P4 Ru2 S6 -","2","1","","Reinholdt, Anders; Herbst, Konrad; Bendix, Jesper","Delivering carbide ligands to sulfide-rich clusters.","Chemical communications (Cambridge, England)","2016","52","10","2015","2018","10.1039/c5cc08918b","","","0.71073","MoKα","","0.0691","0.0547","","","0.1475","0.1593","","","","","","1.03","","","","has coordinates,has disorder","175130","2020-10-21","18:00:00",""
"7118641","9.501","0.0004","22.3773","0.001","27.2642","0.0011","90","","90","","90","","5796.6","0.4","122","2","122","2","","","","","","","","9","P 21 21 21","P 2ac 2ab","19","","","","- C46.92 H84.77 Ag Cl3.08 F3 O3.64 P2 Ru S4 -","- C46.923 H84.769 Ag Cl3.077 F3 O3.641 P2 Ru S4 -","- C187.692 H339.076 Ag4 Cl12.308 F12 O14.564 P8 Ru4 S16 -","4","1","","Reinholdt, Anders; Herbst, Konrad; Bendix, Jesper","Delivering carbide ligands to sulfide-rich clusters.","Chemical communications (Cambridge, England)","2016","52","10","2015","2018","10.1039/c5cc08918b","","","0.71073","MoKα","","0.0678","0.0442","","","0.0823","0.0919","","","","","","1.051","","","","has coordinates,has disorder","175130","2020-10-21","18:00:00",""
"7118642","41.4694","0.0004","41.4694","0.0004","41.4694","0.0004","90","","90","","90","","71315.4","1.2","100","","100","","","","","","","","","5","F m -3 m","-F 4 2 3","225","","","","- C84 H48 N6 Ni9 O41 -","- C84 H48 N6 Ni9 O41 -","- C1344 H768 N96 Ni144 O656 -","16","0.0833333","","Ren, Guo-Jian; Chang, Ze; Xu, Jian; Hu, Zhenpeng; Liu, Yan-Qing; Xu, Yue-Ling; Bu, Xian-He","Construction of a polyhedron decorated MOF with a unique network through the combination of two classic secondary building units.","Chemical communications (Cambridge, England)","2016","52","10","2079","2082","10.1039/c5cc08941g","","","1.54178","CuKα","","0.1638","0.1259","","","0.3492","0.3793","","","","","","1.218","","","","has coordinates","175131","2020-10-21","18:00:00",""
"7118643","13.77","0.006","5.569","0.003","9.822","0.004","90","","127.333","0.004","90","","598.9","0.5","100","2","100","2","","","","","","","","3","C 1 2 1","C 2y","5","","","","- C6 F5 N -","- C6 F5 N -","- C24 F20 N4 -","4","1","","Bushuyev, Oleksandr S.; Tomberg, Anna; Vinden, Joanna R.; Moitessier, Nicolas; Barrett, Christopher J.; Friščić, Tomislav","Azo⋯phenyl stacking: a persistent self-assembly motif guides the assembly of fluorinated cis-azobenzenes into photo-mechanical needle crystals","Chemical Communications (Cambridge, United Kingdom)","2016","52","10","2103","2106","10.1039/c5cc08590j","","","0.71073","MoKα","","0.0432","0.036","","","0.0808","0.0842","","","","","","1.049","","","","has coordinates","209676","2020-10-21","18:00:00",""
"7118644","11.412","0.003","10.891","0.003","11.216","0.003","90","","104.541","0.003","90","","1349.4","0.6","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H2 Br2 F6 N2 -","- C12 H2 Br2 F6 N2 -","- C48 H8 Br8 F24 N8 -","4","1","","Bushuyev, Oleksandr S.; Tomberg, Anna; Vinden, Joanna R.; Moitessier, Nicolas; Barrett, Christopher J.; Friščić, Tomislav","Azo⋯phenyl stacking: a persistent self-assembly motif guides the assembly of fluorinated cis-azobenzenes into photo-mechanical needle crystals","Chemical Communications (Cambridge, United Kingdom)","2016","52","10","2103","2106","10.1039/c5cc08590j","","","0.71073","MoKα","","0.0709","0.0365","","","0.069","0.0772","","","","","","1.004","","","","has coordinates","209676","2020-10-21","18:00:00",""
"7118645","11.822","0.003","5.6611","0.0013","20.062","0.004","90","","92.243","0.003","90","","1341.6","0.5","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H2 Br2 F6 N2 -","- C12 H2 Br2 F6 N2 -","- C48 H8 Br8 F24 N8 -","4","1","","Bushuyev, Oleksandr S.; Tomberg, Anna; Vinden, Joanna R.; Moitessier, Nicolas; Barrett, Christopher J.; Friščić, Tomislav","Azo⋯phenyl stacking: a persistent self-assembly motif guides the assembly of fluorinated cis-azobenzenes into photo-mechanical needle crystals","Chemical Communications (Cambridge, United Kingdom)","2016","52","10","2103","2106","10.1039/c5cc08590j","","","0.71073","MoKα","","0.0558","0.0333","","","0.067","0.0738","","","","","","1.021","","","","has coordinates","209676","2020-10-21","18:00:00",""
"7118646","28.3","0.004","5.4157","0.0007","17.841","0.002","90","","96.287","0.002","90","","2717.9","0.6","151","2","151","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C26 H14 F8 I2 N4 -","- C26 H14 F8 I2 N4 -","- C104 H56 F32 I8 N16 -","4","0.5","","Bushuyev, Oleksandr S.; Tomberg, Anna; Vinden, Joanna R.; Moitessier, Nicolas; Barrett, Christopher J.; Friščić, Tomislav","Azo⋯phenyl stacking: a persistent self-assembly motif guides the assembly of fluorinated cis-azobenzenes into photo-mechanical needle crystals","Chemical Communications (Cambridge, United Kingdom)","2016","52","10","2103","2106","10.1039/c5cc08590j","","","0.71073","MoKα","","0.0294","0.0226","","","0.0475","0.05","","","","","","1.058","","","","has coordinates","209676","2020-10-21","18:00:00",""
"7118647","20.39","0.004","6.3311","0.0013","17.654","0.004","90","","108.999","0.002","90","","2154.8","0.8","150","2","150","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C18 H12 F8 I2 N4 -","- C18 H12 F8 I2 N4 -","- C72 H48 F32 I8 N16 -","4","1","","Bushuyev, Oleksandr S.; Tomberg, Anna; Vinden, Joanna R.; Moitessier, Nicolas; Barrett, Christopher J.; Friščić, Tomislav","Azo⋯phenyl stacking: a persistent self-assembly motif guides the assembly of fluorinated cis-azobenzenes into photo-mechanical needle crystals","Chemical Communications (Cambridge, United Kingdom)","2016","52","10","2103","2106","10.1039/c5cc08590j","","","0.71073","MoKα","","0.0613","0.0365","","","0.0636","0.07","","","","","","1.017","","","","has coordinates","209676","2020-10-21","18:00:00",""
"7118648","32.485","0.002","5.4079","0.0004","11.3764","0.0008","90","","91.042","0.001","90","","1998.2","0.2","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C16 H8 F8 I2 N2 S2 -","- C16 H8 F8 I2 N2 S2 -","- C64 H32 F32 I8 N8 S8 -","4","0.5","","Bushuyev, Oleksandr S.; Tomberg, Anna; Vinden, Joanna R.; Moitessier, Nicolas; Barrett, Christopher J.; Friščić, Tomislav","Azo⋯phenyl stacking: a persistent self-assembly motif guides the assembly of fluorinated cis-azobenzenes into photo-mechanical needle crystals","Chemical Communications (Cambridge, United Kingdom)","2016","52","10","2103","2106","10.1039/c5cc08590j","","","0.71073","MoKα","","0.0189","0.0156","","","0.0338","0.0358","","","","","","1.049","","","","has coordinates","209676","2020-10-21","18:00:00",""
"7118649","17.098","0.002","7.5871","0.0009","8.8151","0.001","90","","95.309","0.0013","90","","1138.6","0.2","100","2","100","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C12 F10 N2 -","- C12 F10 N2 -","- C48 F40 N8 -","4","0.5","","Bushuyev, Oleksandr S.; Tomberg, Anna; Vinden, Joanna R.; Moitessier, Nicolas; Barrett, Christopher J.; Friščić, Tomislav","Azo⋯phenyl stacking: a persistent self-assembly motif guides the assembly of fluorinated cis-azobenzenes into photo-mechanical needle crystals","Chemical Communications (Cambridge, United Kingdom)","2016","52","10","2103","2106","10.1039/c5cc08590j","","","0.71073","MoKα","","0.0322","0.0284","","","0.083","0.0864","","","","","","1.073","","","","has coordinates","209676","2020-10-21","18:00:00",""
"7118650","10.63","0.002","4.7239","0.0009","12.695","0.002","90","","101.917","0.002","90","","623.74","0.19","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H2 Br2 F6 N2 -","- C12 H2 Br2 F6 N2 -","- C24 H4 Br4 F12 N4 -","2","0.5","","Bushuyev, Oleksandr S.; Tomberg, Anna; Vinden, Joanna R.; Moitessier, Nicolas; Barrett, Christopher J.; Friščić, Tomislav","Azo⋯phenyl stacking: a persistent self-assembly motif guides the assembly of fluorinated cis-azobenzenes into photo-mechanical needle crystals","Chemical Communications (Cambridge, United Kingdom)","2016","52","10","2103","2106","10.1039/c5cc08590j","","","0.71073","MoKα","","0.0218","0.0178","","","0.0403","0.0416","","","","","","1.052","","","","has coordinates","209676","2020-10-21","18:00:00",""
"7118651","4.446","0.001","15.197","0.003","9.65","0.002","90","","91.628","0.003","90","","651.7","0.2","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C6 H Br F3 N -","- C6 H Br F3 N -","- C24 H4 Br4 F12 N4 -","4","1","","Bushuyev, Oleksandr S.; Tomberg, Anna; Vinden, Joanna R.; Moitessier, Nicolas; Barrett, Christopher J.; Friščić, Tomislav","Azo⋯phenyl stacking: a persistent self-assembly motif guides the assembly of fluorinated cis-azobenzenes into photo-mechanical needle crystals","Chemical Communications (Cambridge, United Kingdom)","2016","52","10","2103","2106","10.1039/c5cc08590j","","","0.71073","MoKα","","0.0511","0.0336","","","0.071","0.0771","","","","","","1.021","","","","has coordinates","209676","2020-10-21","18:00:00",""
"7118652","19.6891","0.0018","13.7933","0.0013","26.276","0.002","90","","96.242","0.002","90","","7093.7","1.1","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","RPM6-Zn","Zn3(bpdc)3(apy)","","- C63.4 H56.57 N7.08 O15.08 Zn3 -","- C63.431 H56.633 N7.082 O15.082 Zn3 -","- C253.724 H226.532 N28.328 O60.328 Zn12 -","4","1","","Wang, Hao; Lashkari, Elham; Lim, Hyuna; Zheng, Chong; Emge, Thomas J.; Gong, Qihan; Yam, Kit; Li, Jing","The moisture-triggered controlled release of a natural food preservative from a microporous metal-organic framework.","Chemical communications (Cambridge, England)","2016","52","10","2129","2132","10.1039/c5cc09634k","","","0.71073","MoKα","","0.1473","0.0763","","","0.1719","0.2049","","","","","","1.023","","","","has coordinates,has disorder","175134","2020-10-21","18:00:00",""
"7118653","6.6015","0.0002","16.8605","0.0004","17.1484","0.0004","90","","90","","90","","1908.7","0.09","296","1","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","20150112","","- C18 H21 N O7 S -","- C18 H21 N O7 S -","- C72 H84 N4 O28 S4 -","4","1","","Son, Se-Mi; Seo, Yeon Ji; Lee, Hyeon-Kyu","Stereoselective synthesis of 1,3-disubstituted isoindolines via Rh(iii)-catalyzed tandem oxidative olefination-cyclization of 4-aryl cyclic sulfamidates.","Chemical communications (Cambridge, England)","2016","52","23","4286","4289","10.1039/c5cc09888b","","","0.71073","MoKα","","0.1579","0.067","","","0.1734","0.2193","","","","","","1.015","","","","has coordinates","181572","2020-10-21","18:00:00",""
"7118654","6.2084","0.0001","13.742","0.0002","21.5303","0.0004","90","","90","","90","","1836.88","0.05","296","1","296","1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","20150429","","- C17 H19 N O7 S -","- C17 H19 N O7 S -","- C68 H76 N4 O28 S4 -","4","1","","Son, Se-Mi; Seo, Yeon Ji; Lee, Hyeon-Kyu","Stereoselective synthesis of 1,3-disubstituted isoindolines via Rh(iii)-catalyzed tandem oxidative olefination-cyclization of 4-aryl cyclic sulfamidates.","Chemical communications (Cambridge, England)","2016","52","23","4286","4289","10.1039/c5cc09888b","","","0.71073","MoKα","","0.1195","0.0618","","","0.1407","0.1629","","","","","","1.03","","","","has coordinates","181572","2020-10-21","18:00:00",""
"7118655","8.1628","0.0002","8.1111","0.0001","17.0276","0.0003","90","","90.533","0.001","90","","1127.34","0.04","296","1","296","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","sulfamidate+acrylronitrile","","- C11 H10 N2 O3 S -","- C11 H10 N2 O3 S -","- C44 H40 N8 O12 S4 -","4","1","","Son, Se-Mi; Seo, Yeon Ji; Lee, Hyeon-Kyu","Stereoselective synthesis of 1,3-disubstituted isoindolines via Rh(iii)-catalyzed tandem oxidative olefination-cyclization of 4-aryl cyclic sulfamidates.","Chemical communications (Cambridge, England)","2016","52","23","4286","4289","10.1039/c5cc09888b","","","0.71073","MoKα","","0.0416","0.0363","","","0.1005","0.1051","","","","","","1.08","","","","has coordinates","181572","2020-10-21","18:00:00",""
"7118656","6.1638","0.0003","14.6526","0.0007","9.1812","0.0004","90","","102.564","0.003","90","","809.35","0.07","100","1","100","1","","","","","","","","5","P 1 21 1","P 2yb","4","","3a-methylacrylate","","- C16 H17 N O7 S -","- C16 H17 N O7 S -","- C32 H34 N2 O14 S2 -","2","1","","Son, Se-Mi; Seo, Yeon Ji; Lee, Hyeon-Kyu","Stereoselective synthesis of 1,3-disubstituted isoindolines via Rh(iii)-catalyzed tandem oxidative olefination-cyclization of 4-aryl cyclic sulfamidates.","Chemical communications (Cambridge, England)","2016","52","23","4286","4289","10.1039/c5cc09888b","","","0.71073","MoKα","","0.046","0.0401","","","0.1037","0.1079","","","","","","1.038","","","","has coordinates","181572","2020-10-21","18:00:00",""
"7118657","7.3985","0.0009","19.856","0.002","35.447","0.004","90","","90","","90","","5207.3","1","296","2","296","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","VD23","","","- C55 H88 O2 -","- C55 H88 O2 -","- C220 H352 O8 -","4","1","","Wang, Jian-Rong; Yu, Qihui; Dai, Wenjuan; Mei, Xuefeng","Drug-drug co-crystallization presents a new opportunity for the development of stable vitamins.","Chemical communications (Cambridge, England)","2016","52","17","3572","3575","10.1039/c5cc10297a","","","0.71073","MoKα","","0.1325","0.0666","","","0.1649","0.2027","","","","","","1.064","","","","has coordinates","177703","2020-10-21","18:00:00",""
"7118658","20.6101","0.0006","7.2054","0.0003","35.408","0.001","90","","105.513","0.002","90","","5066.7","0.3","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","Co-VD form B","vitamin D2 and D3","","- C55 H88 O2 -","- C55 H88 O2 -","- C220 H352 O8 -","4","2","","Wang, Jian-Rong; Yu, Qihui; Dai, Wenjuan; Mei, Xuefeng","Drug-drug co-crystallization presents a new opportunity for the development of stable vitamins.","Chemical communications (Cambridge, England)","2016","52","17","3572","3575","10.1039/c5cc10297a","","","0.71073","MoKα","","0.157","0.097","","","0.2307","0.2583","","","","","","1.19","","","","has coordinates","183084","2020-10-21","18:00:00",""
"7118659","13.4817","0.0009","41.726","0.002","31.034","0.003","90","","90","","90","","17458","2","90","2","90","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","5-mesityl-N,N-bis(alpha-bromodipyrrinyl)amine Cu(II)","","- C49 H51 Br2 Cu N5 -","- C49 H51 Br2 Cu N5 -","- C784 H816 Br32 Cu16 N80 -","16","4","","Omori, Hiroto; Hiroto, Satoru; Shinokubo, Hiroshi","The synthesis of Ni(II) and Al(III) 10-azacorroles through coordination-induced cyclisation involving 1,2-migration.","Chemical communications (Cambridge, England)","2016","52","17","3540","3543","10.1039/c5cc10247b","","","0.71073","","","0.1351","0.0798","","","0.1796","0.208","","","","","","1.023","","","","has coordinates","177708","2020-10-21","18:00:00",""
"7118660","16.489","0.002","20.454","0.003","12.894","0.002","90","","111.783","0.004","90","","4038.2","1","133","2","133","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","2-bromo-10-azacorrole","","- C45 H39.5 Br1.5 Cl2 N5 Ni -","- C45 H39.443 Br1.557 Cl2 N5 Ni -","- C180 H157.772 Br6.228 Cl8 N20 Ni4 -","4","1","","Omori, Hiroto; Hiroto, Satoru; Shinokubo, Hiroshi","The synthesis of Ni(II) and Al(III) 10-azacorroles through coordination-induced cyclisation involving 1,2-migration.","Chemical communications (Cambridge, England)","2016","52","17","3540","3543","10.1039/c5cc10247b","","","0.71073","MoKα","","0.1568","0.0978","","","0.2854","0.3347","","","","","","1.051","","","","has coordinates,has disorder","177708","2020-10-21","18:00:00",""
"7118661","7.433","0.0006","11.831","0.0008","12.3401","0.0014","75.797","0.007","83.716","0.008","89.257","0.006","1045.59","0.17","150","1","150","1","","","","","","","","4","P -1","-P 1","2","","","","- C7 H8 Cl3 Sb -","- C7 H8 Cl3 Sb -","- C28 H32 Cl12 Sb4 -","4","2","","Lo, Rabindranath; Švec, Petr; Růžičková, Zdeňka; Růžička, Aleš; Hobza, Pavel","On the nature of the stabilisation of the Eπ pnicogen bond in the SbCl3toluene complex.","Chemical communications (Cambridge, England)","2016","52","17","3500","3503","10.1039/c5cc10363k","","","0.71073","MoKα","","0.045","0.0395","","","0.1064","0.1145","","","","","","1.185","","","","has coordinates","177709","2020-10-21","18:00:00",""
"7118662","13.8731","0.001","8.1105","0.0005","23.2586","0.0018","90","","111.782","0.009","90","","2430.2","0.3","294.39","0.1","294.39","0.1","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C16 H14 O2 -","- C16 H14 O2 -","- C128 H112 O16 -","8","1","","Sun, Denan; Li, Bijin; Lan, Jingbo; Huang, Quan; You, Jingsong","Chelation-assisted Pd-catalysed ortho-selective oxidative C-H/C-H cross-coupling of aromatic carboxylic acids with arenes and intramolecular Friedel-Crafts acylation: one-pot formation of fluorenones.","Chemical communications (Cambridge, England)","2016","52","18","3635","3638","10.1039/c6cc00103c","","x-ray","1.54184","CuKα","","0.0632","0.059","","","0.1586","0.1649","","","","","","1.052","","","","has coordinates","177644","2020-10-21","18:00:00",""
"7118663","7.2744","0.0003","11.9968","0.0005","12.4989","0.0006","90","","99.099","0.004","90","","1077.05","0.08","285.16","0.1","285.16","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C14 H8 F2 O2 -","- C14 H8 F2 O2 -","- C56 H32 F8 O8 -","4","1","","Sun, Denan; Li, Bijin; Lan, Jingbo; Huang, Quan; You, Jingsong","Chelation-assisted Pd-catalysed ortho-selective oxidative C-H/C-H cross-coupling of aromatic carboxylic acids with arenes and intramolecular Friedel-Crafts acylation: one-pot formation of fluorenones.","Chemical communications (Cambridge, England)","2016","52","18","3635","3638","10.1039/c6cc00103c","","x-ray","0.71073","MoKα","","0.0654","0.0511","","","0.1468","0.1597","","","","","","1.066","","","","has coordinates","177644","2020-10-21","18:00:00",""
"7118664","26.1535","0.001","13.6168","0.0005","17.1807","0.0007","90","","126.056","0.003","90","","4946.5","0.4","273","2","273","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C30 H32 B2 Co2 N16 O11 -","- C30 H32 B2 Co2 N16 O11 -","- C120 H128 B8 Co8 N64 O44 -","4","0.5","","Zhang, Hai-Xia; Liu, Min; Xu, Guilan; Liu, Liyang; Zhang, Jian","Selectivity of CO2via pore space partition in zeolitic boron imidazolate frameworks.","Chemical communications (Cambridge, England)","2016","52","17","3552","3555","10.1039/c6cc00185h","","","0.71073","MoKα","","0.1113","0.0717","","","0.2146","0.2375","","","","","","1.012","","","","has coordinates","177704","2020-10-21","18:00:00",""
"7118665","9.003","0.005","17.382","0.011","17.057","0.011","90","","104.595","0.01","90","","2583","3","273","2","273","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C21 H24 B Cd N9 O4 -","- C21 H24 B Cd N9 O4 -","- C84 H96 B4 Cd4 N36 O16 -","4","1","","Zhang, Hai-Xia; Liu, Min; Xu, Guilan; Liu, Liyang; Zhang, Jian","Selectivity of CO2via pore space partition in zeolitic boron imidazolate frameworks.","Chemical communications (Cambridge, England)","2016","52","17","3552","3555","10.1039/c6cc00185h","","","0.71073","MoKα","","0.0764","0.0635","","","0.185","0.1942","","","","","","1.122","","","","has coordinates","177704","2020-10-21","18:00:00",""
"7118666","16.682","0.003","21.662","0.004","27.674","0.005","90","","96.49","0.03","90","","9936","3","293","2","293","2","","","","","","","","7","P 1 21/m 1","-P 2yb","11","","","","- C111 H220 Cu18 N30 O42 S20 W5 -","- C111 H96 Cu18 N30 O42 S20 W5 -","- C222 H192 Cu36 N60 O84 S40 W10 -","2","0.5","","Zhang, Jinfang; Jia, Ding; Humphrey, Mark G.; Meng, Suci; Zaworotko, Michael J.; Cifuentes, Marie P.; Zhang, Chi","Ammonium-crown ether supramolecular cation-templated assembly of an unprecedented heterobicluster-metal coordination polymer with enhanced NLO properties.","Chemical communications (Cambridge, England)","2016","52","19","3797","3800","10.1039/c5cc10076c","","","0.71073","MoKα","","0.0795","0.069","","","0.151","0.1586","","","","","","0.998","","","","has coordinates","177699","2020-10-21","18:00:00",""
"7118667","20.0748","0.0004","26.1979","0.0006","28.8126","0.0006","104.876","0.002","90.485","0.002","92.908","0.002","14622.7","0.6","373","2","373","2","","","","","","","","9","P -1","-P 1","2","","","","- C176 H266 Ag41 B0 F0 N7 O78 Si2 W22 -","- C176 H264 Ag41 N7 O78 Si2 W22 -","- C352 H528 Ag82 N14 O156 Si4 W44 -","2","1","","Liu, Kuan-Guan; Liu, Xi-Yan; Guan, Zong-Jie; Shi, Kang; Lin, Yu-Mei; Wang, Quan-Ming","The transformation of polyoxometalates in the formation of intercluster compound [Ag41(α-SiW10O37)((t)BuC[triple bond, length as m-dash]C)27(CH3CN)3][β-SiW12O40].","Chemical communications (Cambridge, England)","2016","52","19","3801","3804","10.1039/c6cc00524a","","","0.71073","MoKα","","0.0989","0.0689","","","0.17","0.1909","","","","","","1.029","","","","has coordinates","177700","2020-10-21","18:00:00",""
"7118668","9.002","0.002","13.225","0.003","17.293","0.004","90","","90","","90","","2058.8","0.8","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C29 H21 N O -","- C29 H21 N O -","- C116 H84 N4 O4 -","4","1","","Nagaraju Barsu; Malay Sen; J. Richard Premkumar; Basker Sundararaju","Cobalt(III) catalyzed C-8 selective C-H and C-O coupling of quinoline N-oxide with internal alkynes via C-H activation and oxygen atom transfer","Chem.Commun.","2016","52","","1338","","","","","0.71073","MoKα","","0.0624","0.0451","","","0.0966","0.1162","","","","","","1.07","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7118673","12.7434","0.0003","13.7696","0.0003","16.4706","0.0004","90","","90","","90","","2890.12","0.12","180","2","180","2","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C18 H44 Al B Cl4 N2 O6 -","- C18 H44 Al B Cl4 N2 O6 -","- C72 H176 Al4 B4 Cl16 N8 O24 -","4","1","","Less, Robert J.; García-Rodríguez, Raúl; Simmonds, Hayley R.; Allen, Lucy K.; Bond, Andrew D.; Wright, Dominic S.","Use of crown ethers to isolate intermediates in ammonia-borane dehydrocoupling reactions.","Chemical communications (Cambridge, England)","2016","52","18","3650","3652","10.1039/c6cc00088f","","","1.54178","CuKα","","0.0412","0.0319","","","0.0681","0.0717","","","","","","1.063","","","","has coordinates","177643","2020-10-21","18:00:00",""
"7118674","19.0847","0.0007","16.0369","0.0006","8.8244","0.0003","90","","90","","90","","2700.79","0.17","180","2","180","2","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C16 H37 Al B Cl4 N O7 -","- C16 H37 Al B Cl4 N O7 -","- C64 H148 Al4 B4 Cl16 N4 O28 -","4","1","","Less, Robert J.; García-Rodríguez, Raúl; Simmonds, Hayley R.; Allen, Lucy K.; Bond, Andrew D.; Wright, Dominic S.","Use of crown ethers to isolate intermediates in ammonia-borane dehydrocoupling reactions.","Chemical communications (Cambridge, England)","2016","52","18","3650","3652","10.1039/c6cc00088f","","","1.54178","CuKα","","0.1032","0.0987","","","0.2169","0.2191","","","","","","1.424","","","","has coordinates","177643","2020-10-21","18:00:00",""
"7118675","13.6132","0.0005","16.0212","0.0006","17.7762","0.0007","90","","94.329","0.002","90","","3865.9","0.3","180","2","180","2","","","","","","","","7","P 1 n 1","P -2yac","7","","","","- C24 H56 Al B Cl4 N2 O12 -","- C24 H56 Al B Cl4 N2 O12 -","- C96 H224 Al4 B4 Cl16 N8 O48 -","4","2","","Less, Robert J.; García-Rodríguez, Raúl; Simmonds, Hayley R.; Allen, Lucy K.; Bond, Andrew D.; Wright, Dominic S.","Use of crown ethers to isolate intermediates in ammonia-borane dehydrocoupling reactions.","Chemical communications (Cambridge, England)","2016","52","18","3650","3652","10.1039/c6cc00088f","","","1.54178","CuKα","","0.0821","0.0747","","","0.1859","0.1941","","","","","","1.085","","","","has coordinates","177643","2020-10-21","18:00:00",""
"7118676","11.9458","0.0004","12.6538","0.0004","25.2208","0.0008","90","","90","","90","","3812.4","0.2","100","2","100","2","","","","","","","","3","P b c n","-P 2n 2ab","60","","","","- C24 H26 N2 -","- C24 H26 N2 -","- C192 H208 N16 -","8","1","","Hepburn, Hamish B.; Melchiorre, Paolo","Brønsted acid-catalysed conjugate addition of photochemically generated α-amino radicals to alkenylpyridines.","Chemical communications (Cambridge, England)","2016","52","17","3520","3523","10.1039/c5cc10401g","","","0.71073","MoKα","","0.081","0.0486","","","0.1099","0.1258","","","","","","1.035","","","","has coordinates","177707","2020-10-21","18:00:00",""
"7118677","4.9957","0.0003","17.7935","0.0009","20.4746","0.001","90","","90","","90","","1820.01","0.17","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","ECI5017","[(2S,3S,5R)-3-amino-5-(5-methyl-4-oxo-2-thioxo-3,4-dihydropyrimidin-1(2H)-yl)tetrahydrofuran-2-yl]methyl acetate","","- C13 H18 Cl3 N3 O4 S -","- C13 H18 Cl3 N3 O4 S -","- C52 H72 Cl12 N12 O16 S4 -","4","1","","Izgu, Enver Cagri; Oh, Seung Soo; Szostak, Jack W.","Synthesis of activated 3'-amino-3'-deoxy-2-thio-thymidine, a superior substrate for the nonenzymatic copying of nucleic acid templates.","Chemical communications (Cambridge, England)","2016","52","18","3684","3686","10.1039/c5cc10317g","","","1.54178","CuKα","","0.0873","0.079","","","0.2088","0.2142","","","","","","1.084","","","","has coordinates,has disorder","177647","2020-10-21","18:00:00",""
"7118678","21.7015","0.0012","21.7015","0.0012","21.7015","0.0012","90","","90","","90","","10220.4","1","223","2","223","2","","","","","","","","4","P a -3","-P 2ac 2ab 3","205","","","","- C48 Cu16 Se31 Sn6 -","- C48 Cu16 Se31 Sn6 -","- C192 Cu64 Se124 Sn24 -","4","0.166667","","Yang, Huajun; Wang, Le; Hu, Dandan; Lin, Jian; Luo, Li; Wang, Hongxiang; Wu, Tao","A novel copper-rich open-framework chalcogenide constructed from octahedral Cu4Se6 and icosahedral Cu8Se13 nanoclusters.","Chemical communications (Cambridge, England)","2016","52","22","4140","4143","10.1039/c6cc00183a","","","0.71073","MoKα","","0.1097","0.0759","","","0.1772","0.2228","","","","","","1.098","","","","has coordinates","181525","2020-10-21","18:00:00",""
"7118679","6.9802","0.0007","7.0738","0.0007","17.9149","0.0018","88.122","0.001","80.589","0.001","67.293","0.001","804.58","0.14","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","2,2-dichloro-2-nitro-1-(2-nitrophenyl)ethyl benzoate","","- C15 H10 Cl2 N2 O6 -","- C15 H10 Cl2 N2 O6 -","- C30 H20 Cl4 N4 O12 -","2","1","","Ding, Ransheng; Wolf, Christian","Catalytic insertion of aldehydes into dihalonitroacetophenones via sequential bond scission-aldol reaction-acyl transfer.","Chemical communications (Cambridge, England)","2016","52","17","3576","3579","10.1039/c5cc09753c","","","0.71073","MoKα","","0.0327","0.0315","","","0.1024","0.1038","","","","","","1.107","","","","has coordinates","206958","2020-10-21","18:00:00",""
"7118680","7.0035","0.0005","37.401","0.003","6.0429","0.0004","90","","90","","90","","1582.9","0.2","173","2","173","2","","","","","","","","5","P n a 21","P 2c -2n","33","","2,2-dichloro-2-nitro-1-(4-nitrophenyl)ethyl benzoate","","- C15 H10 Cl2 N2 O6 -","- C15 H10 Cl2 N2 O6 -","- C60 H40 Cl8 N8 O24 -","4","1","","Ding, Ransheng; Wolf, Christian","Catalytic insertion of aldehydes into dihalonitroacetophenones via sequential bond scission-aldol reaction-acyl transfer.","Chemical communications (Cambridge, England)","2016","52","17","3576","3579","10.1039/c5cc09753c","","","0.71073","MoKα","","0.0278","0.0264","","","0.0661","0.0668","","","","","","1.037","","","","has coordinates","177705","2020-10-21","18:00:00",""
"7118681","9.8573","0.0012","10.9843","0.0013","19.208","0.002","93.409","0.003","98.295","0.003","115.316","0.003","1843.2","0.4","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C39 H50 N3 P Si -","- C39 H50 N3 P Si -","- C78 H100 N6 P2 Si2 -","2","1","","Khan, Shabana; Pal, Shiv; Kathewad, Neha; Purushothaman, Indu; De, Susmita; Parameswaran, Pattiyil","Stepwise isolation of an unprecedented silylene supported dinuclear gold(i) cation with aurophilic interaction.","Chemical communications (Cambridge, England)","2016","52","20","3880","3882","10.1039/c6cc00597g","","","0.71073","MoKα","","0.1082","0.0541","","","0.1205","0.1462","","","","","","0.95","","","","has coordinates","177676","2020-10-21","18:00:00",""
"7118682","11.933","0.011","12.334","0.013","17.499","0.016","81.27","0.03","82.82","0.02","65.87","0.02","2318","4","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C40 H52 Au Cl3 N3 P Si -","- C40 H52 Au Cl3 N3 P Si -","- C80 H104 Au2 Cl6 N6 P2 Si2 -","2","1","","Khan, Shabana; Pal, Shiv; Kathewad, Neha; Purushothaman, Indu; De, Susmita; Parameswaran, Pattiyil","Stepwise isolation of an unprecedented silylene supported dinuclear gold(i) cation with aurophilic interaction.","Chemical communications (Cambridge, England)","2016","52","20","3880","3882","10.1039/c6cc00597g","","","0.71073","MoKα","","0.0982","0.0752","","","0.2087","0.2296","","","","","","1.047","","","","has coordinates","177676","2020-10-21","18:00:00",""
"7118683","12.058","0.006","14.762","0.009","15.001","0.009","116.997","0.014","104.713","0.014","95.716","0.014","2229","2","150","2","150","2","","","","","","","","9","P -1","-P 1","2","","","","- C80 H104 Au2 Cl4 F12 N6 P2 Sb2 Si2 -","- C80 H104 Au2 Cl4 F12 N6 P2 Sb2 Si2 -","- C80 H104 Au2 Cl4 F12 N6 P2 Sb2 Si2 -","1","0.5","","Khan, Shabana; Pal, Shiv; Kathewad, Neha; Purushothaman, Indu; De, Susmita; Parameswaran, Pattiyil","Stepwise isolation of an unprecedented silylene supported dinuclear gold(i) cation with aurophilic interaction.","Chemical communications (Cambridge, England)","2016","52","20","3880","3882","10.1039/c6cc00597g","","","0.71073","MoKα","","0.0985","0.0571","","","0.1046","0.121","","","","","","1.028","","","","has coordinates","177676","2020-10-21","18:00:00",""
"7118684","17.0258","0.0007","18.6108","0.0008","19.0877","0.0008","90","","90","","90","","6048.2","0.4","120","2","120","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C31 H44 P2 Pd Si -","- C31 H44 P2 Pd Si -","- C248 H352 P16 Pd8 Si8 -","8","1","","Comanescu, Cezar C.; Iluc, Vlad M.","E-H (E = B, Si, Ge) bond activation of pinacolborane, silanes, and germanes by nucleophilic palladium carbene complexes.","Chemical communications (Cambridge, England)","2016","52","58","9048","9051","10.1039/c5cc09468b","","","0.71073","MoKα","","0.0249","0.0235","","","0.0574","0.058","","","","","","1.194","","","","has coordinates","185097","2020-10-21","18:00:00",""
"7118685","9.402","0.003","19.186","0.005","19.053","0.005","90","","93.284","0.005","90","","3431.3","1.7","120","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C37 H48 P2 Pd Si -","- C37 H48 P2 Pd Si -","- C148 H192 P8 Pd4 Si4 -","4","1","","Comanescu, Cezar C.; Iluc, Vlad M.","E-H (E = B, Si, Ge) bond activation of pinacolborane, silanes, and germanes by nucleophilic palladium carbene complexes.","Chemical communications (Cambridge, England)","2016","52","58","9048","9051","10.1039/c5cc09468b","","","0.71073","MoKα","","0.0495","0.0316","","","0.0656","0.0694","","","","","","1.026","","","","has coordinates","185097","2020-10-21","18:00:00",""
"7118686","9.5894","0.0006","10.6642","0.0007","19.5486","0.0013","78.851","0.003","76.192","0.003","76.697","0.002","1868.9","0.2","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C43 H52 P2 Pd Si -","- C43 H52 P2 Pd Si -","- C86 H104 P4 Pd2 Si2 -","2","1","","Comanescu, Cezar C.; Iluc, Vlad M.","E-H (E = B, Si, Ge) bond activation of pinacolborane, silanes, and germanes by nucleophilic palladium carbene complexes.","Chemical communications (Cambridge, England)","2016","52","58","9048","9051","10.1039/c5cc09468b","","","0.71073","MoKα","","0.0443","0.0333","","","0.0732","0.0772","","","","","","1.049","","","","has coordinates","185097","2020-10-21","18:00:00",""
"7118687","11.401","0.002","12.592","0.002","30.423","0.005","90","","97.666","0.003","90","","4328.5","1.2","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C48 H64 P2 Pd Si -","- C48 H64 P2 Pd Si -","- C192 H256 P8 Pd4 Si4 -","4","1","","Comanescu, Cezar C.; Iluc, Vlad M.","E-H (E = B, Si, Ge) bond activation of pinacolborane, silanes, and germanes by nucleophilic palladium carbene complexes.","Chemical communications (Cambridge, England)","2016","52","58","9048","9051","10.1039/c5cc09468b","","","0.71073","MoKα","","0.0684","0.0412","","","0.0852","0.0983","","","","","","1.066","","","","has coordinates,has disorder","185097","2020-10-21","18:00:00",""
"7118688","17.3966","0.001","10.0819","0.0006","19.8141","0.0011","90","","115.896","0.0018","90","","3126.3","0.3","120","2","120","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C31 H49 B O2 P2 Pd -","- C31 H49 B O2 P2 Pd -","- C124 H196 B4 O8 P8 Pd4 -","4","1","","Comanescu, Cezar C.; Iluc, Vlad M.","E-H (E = B, Si, Ge) bond activation of pinacolborane, silanes, and germanes by nucleophilic palladium carbene complexes.","Chemical communications (Cambridge, England)","2016","52","58","9048","9051","10.1039/c5cc09468b","","","0.71073","MoKα","","0.0237","0.0203","","","0.0513","0.0528","","","","","","1.065","","","","has coordinates","185097","2020-10-21","18:00:00",""
"7118689","8.3636","0.0003","10.0092","0.0004","18.4078","0.0007","94.2185","0.0011","93.3363","0.0011","100.776","0.0011","1505.62","0.1","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C31 H44 Ge P2 Pd -","- C31 H44 Ge P2 Pd -","- C62 H88 Ge2 P4 Pd2 -","2","1","","Comanescu, Cezar C.; Iluc, Vlad M.","E-H (E = B, Si, Ge) bond activation of pinacolborane, silanes, and germanes by nucleophilic palladium carbene complexes.","Chemical communications (Cambridge, England)","2016","52","58","9048","9051","10.1039/c5cc09468b","","","0.71073","MoKα","","0.0412","0.034","","","0.0693","0.0725","","","","","","1.076","","","","has coordinates","185097","2020-10-21","18:00:00",""
"7118690","22.9918","0.0015","12.0605","0.0007","25.6249","0.0017","90","","105.728","0.004","90","","6839.6","0.8","120","2","120","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C37 H48 Ge P2 Pd -","- C37 H48 Ge P2 Pd -","- C296 H384 Ge8 P16 Pd8 -","8","1","","Comanescu, Cezar C.; Iluc, Vlad M.","E-H (E = B, Si, Ge) bond activation of pinacolborane, silanes, and germanes by nucleophilic palladium carbene complexes.","Chemical communications (Cambridge, England)","2016","52","58","9048","9051","10.1039/c5cc09468b","","","0.71073","MoKα","","0.0495","0.0337","","","0.0735","0.0776","","","","","","1.052","","","","has coordinates,has disorder","185097","2020-10-21","18:00:00",""
"7118691","11.6399","0.0015","19.396","0.003","17.6306","0.0018","90","","105.713","0.002","90","","3831.7","0.9","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C43 H52 Ge P2 Pd -","- C43 H52 Ge P2 Pd -","- C172 H208 Ge4 P8 Pd4 -","4","1","","Comanescu, Cezar C.; Iluc, Vlad M.","E-H (E = B, Si, Ge) bond activation of pinacolborane, silanes, and germanes by nucleophilic palladium carbene complexes.","Chemical communications (Cambridge, England)","2016","52","58","9048","9051","10.1039/c5cc09468b","","","0.71073","MoKα","","0.0976","0.0499","","","0.0946","0.1041","","","","","","0.986","","","","has coordinates","185097","2020-10-21","18:00:00",""
"7118692","9.543","0.0004","20.387","0.001","21.3674","0.0011","90","","99.3602","0.0014","90","","4101.7","0.3","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C85 H114 Ge2 P6 Pd2 -","- C85 H114 Ge2 P6 Pd2 -","- C170 H228 Ge4 P12 Pd4 -","2","0.5","","Comanescu, Cezar C.; Iluc, Vlad M.","E-H (E = B, Si, Ge) bond activation of pinacolborane, silanes, and germanes by nucleophilic palladium carbene complexes.","Chemical communications (Cambridge, England)","2016","52","58","9048","9051","10.1039/c5cc09468b","","","0.71073","MoKα","","0.0369","0.0296","","","0.0661","0.0681","","","","","","1.062","","","","has coordinates","185097","2020-10-21","18:00:00",""
"7118693","10.3517","0.0008","17.5995","0.0015","13.2555","0.0011","90","","103.504","0.002","90","","2348.2","0.3","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C22 H23 Br N2 O4 S -","- C22 H23 Br N2 O4 S -","- C88 H92 Br4 N8 O16 S4 -","4","2","","Cheng, Ping; Guo, Wengang; Chen, Ping; Liu, Yan; Du, Xin; Li, Can","The enantioselective construction of chiral spirooxindole-based 4-thiazolidinone via asymmetric catalytic formal [3+2] annulation using a bifunctional catalyst.","Chemical communications (Cambridge, England)","2016","52","16","3418","3421","10.1039/c5cc10292h","","","0.71073","MoKα","","0.1506","0.0613","","","0.1187","0.1528","","","","","","0.947","","","","has coordinates,has disorder","177673","2020-10-21","18:00:00",""
"7118694","9.0059","0.0011","12.9439","0.0015","18.305","0.002","90","","90","","90","","2133.8","0.4","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C22 H21 Br N2 O5 S -","- C22 H21 F N2 O5 S -","- C88 H84 F4 N8 O20 S4 -","4","1","","Cheng, Ping; Guo, Wengang; Chen, Ping; Liu, Yan; Du, Xin; Li, Can","The enantioselective construction of chiral spirooxindole-based 4-thiazolidinone via asymmetric catalytic formal [3+2] annulation using a bifunctional catalyst.","Chemical communications (Cambridge, England)","2016","52","16","3418","3421","10.1039/c5cc10292h","","","0.71073","MoKα","","0.0491","0.0425","","","0.1033","0.1081","","","","","","1.022","","","","has coordinates","177673","2020-10-21","18:00:00",""
"7118695","17.663","0.0004","18.6473","0.0006","23.0752","0.0008","90","","107.032","0.001","90","","7266.9","0.4","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C79 H114 Co2 N4 -","- C79 H114 Co2 N4 -","- C316 H456 Co8 N16 -","4","1","","Andjaba, John M.; Tye, Jesse W.; Yu, Pony; Pappas, Iraklis; Bradley, Christopher A.","Cp*Co(IPr): synthesis and reactivity of an unsaturated Co(i) complex.","Chemical communications (Cambridge, England)","2016","52","12","2469","2472","10.1039/c5cc06756a","","","0.71073","MoKα","","0.0856","0.0542","","","0.1338","0.1537","","","","","","0.953","","","","has coordinates,has disorder","175440","2020-10-21","18:00:00",""
"7118696","23.5831","0.0006","17.9998","0.0005","16.1483","0.0004","90","","90","","90","","6854.8","0.3","100","2","100","","","","","","","","","5","A e a 2","A 2 -2ab","41","","","","- C38 H51 Co N2 O -","- C38 H51 Co N2 O -","- C304 H408 Co8 N16 O8 -","8","1","","Andjaba, John M.; Tye, Jesse W.; Yu, Pony; Pappas, Iraklis; Bradley, Christopher A.","Cp*Co(IPr): synthesis and reactivity of an unsaturated Co(i) complex.","Chemical communications (Cambridge, England)","2016","52","12","2469","2472","10.1039/c5cc06756a","","","1.54178","CuKα","","0.0664","0.0565","","","0.1357","0.1448","","","","","","0.9884","","","","has coordinates","278046","2022-09-21","15:45:42",""
"7118697","30.549","","30.549","","11.026","","90","","90","","120","","8911.33","","293","2","293","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- C49 H32 Cl2 N4 -","- C48 H30 N4 -","- C432 H270 N36 -","9","0.5","","Feng, Cunfang; Wang, Kai; Xu, Yuanxiang; Liu, Liqun; Zou, Bo; Lu, Ping","Unique piezochromic fluorescence behavior of organic crystal of carbazole-substituted CNDSB.","Chemical communications (Cambridge, England)","2016","52","19","3836","3839","10.1039/c5cc09152g","","","0.71069","MoKα","","0.0791","0.0568","","","0.1875","0.2098","","","","","","1.098","","","","has coordinates","204120","2020-10-21","18:00:00",""
"7118698","26.108","0.002","8.7687","0.0007","21.6124","0.0018","90","","112.199","0.002","90","","4581.1","0.6","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C28 H22 Br2 N4 -","- C28 H22 Br2 N4 -","- C224 H176 Br16 N32 -","8","1","","Xiong, Ruisheng; Arkhypchuk, Anna I.; Kovacs, Daniel; Orthaber, Andreas; Eszter Borbas, K.","Directly linked hydroporphyrin dimers.","Chemical communications (Cambridge, England)","2016","52","58","9056","9058","10.1039/c6cc00516k","","","0.71073","MoKα","","0.0321","0.024","","","0.0538","0.0567","","","","","","1.049","","","","has coordinates","185103","2020-10-21","18:00:00",""
"7118699","8.5776","0.0003","11.6804","0.0004","14.133","0.0005","98.609","0.0017","98.743","0.0017","101.874","0.0016","1345.4","0.08","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C29 H35 Cl Ir N O2 -","- C29 H35 Cl Ir N O2 -","- C58 H70 Cl2 Ir2 N2 O4 -","2","1","","Mukhopadhyay, Sujay; Singh, Roop Shikha; Biswas, Arnab; Pandey, Daya Shankar","Photochemical water oxidation by cyclometalated iridium(iii) complexes: a mechanistic insight.","Chemical communications (Cambridge, England)","2016","52","19","3840","3843","10.1039/c5cc10520j","","","0.71073","MoKα","","0.0234","0.02","","","0.0485","0.0502","","","","","","1.031","","","","has coordinates","177702","2020-10-21","18:00:00",""
"7118700","8.4227","0.0017","11.622","0.002","13.821","0.003","100.173","0.006","98.473","0.005","99.561","0.007","1291.2","0.4","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H32 Cl Ir N2 -","- C28 H32 Cl Ir N2 -","- C56 H64 Cl2 Ir2 N4 -","2","1","","Mukhopadhyay, Sujay; Singh, Roop Shikha; Biswas, Arnab; Pandey, Daya Shankar","Photochemical water oxidation by cyclometalated iridium(iii) complexes: a mechanistic insight.","Chemical communications (Cambridge, England)","2016","52","19","3840","3843","10.1039/c5cc10520j","","","0.71073","MoKα","","0.0255","0.0208","","","0.05","0.0522","","","","","","0.998","","","","has coordinates,has disorder","177702","2020-10-21","18:00:00",""
"7118701","6.2612","0.0003","15.4368","0.0008","6.6118","0.0004","90","","96.285","0.002","90","","635.21","0.06","150","2","150","2","","","","","","","synthesis as described","4","P 1 21/n 1","-P 2yn","14","","(E)-Me2I2TTF","","- C8 H6 I2 S4 -","- C8 H6 I2 S4 -","- C16 H12 I4 S8 -","2","0.5","","Jeannin, Olivier; Canadell, Enric; Auban-Senzier, Pascale; Fourmigué, Marc","Correlating conduction properties with the molecular symmetry: segregation of Z and E isomers in the charge-assisted, halogen-bonded cocrystal [(Z,E)-Me2I2TTF]2Br.","Chemical communications (Cambridge, England)","2016","52","2","308","311","10.1039/c5cc08176a","","x-ray","0.71073","MoKα","","0.0388","0.0374","","","0.0923","0.0931","","","","","","1.177","","","","has coordinates,has disorder","175841","2020-10-21","18:00:00",""
"7118702","7.888","0.002","27.12","0.007","14.215","0.004","90","","95.259","0.01","90","","3028.1","1.4","293","2","293","2","","","","","","","synthesis as described","6","P 1 21/n 1","-P 2yn","14","","[(Z,E)Me2I2TTF]2 Br CH3CN","","- C18 H15 Br I4 N S8 -","- C18 H15 Br I4 N S8 -","- C72 H60 Br4 I16 N4 S32 -","4","1","","Jeannin, Olivier; Canadell, Enric; Auban-Senzier, Pascale; Fourmigué, Marc","Correlating conduction properties with the molecular symmetry: segregation of Z and E isomers in the charge-assisted, halogen-bonded cocrystal [(Z,E)-Me2I2TTF]2Br.","Chemical communications (Cambridge, England)","2016","52","2","308","311","10.1039/c5cc08176a","","x-ray","0.71073","MoKα","","0.0908","0.0536","","","0.1143","0.142","","","","","","1.061","","","","has coordinates","211332","2020-10-21","18:00:00",""
"7118703","9.814","0.004","10.84","0.004","23.074","0.009","90","","95.566","0.006","90","","2443.1","1.6","130","","130","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C26 H32 N2 O5 S -","- C26 H32 N2 O5 S -","- C104 H128 N8 O20 S4 -","4","1","","Yang, Jin-Ming; Li, Peng-Hua; Wei, Yin; Tang, Xiang-Ying; Shi, Min","Gold(i)-catalyzed highly stereoselective synthesis of polycyclic indolines: the construction of four contiguous stereocenters.","Chemical communications (Cambridge, England)","2016","52","2","346","349","10.1039/c5cc08381h","","","0.71073","MoKα","","0.1101","0.0766","","","0.1627","0.1787","","","","","","1.115","","","","has coordinates","175842","2020-10-21","18:00:00",""
"7118704","9.5226","0.0008","36.221","0.003","24.769","0.002","90","","99.375","0.002","90","","8429.2","1.2","133","2","133","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C23 H24 N2 O4 S -","- C23 H24 N2 O4 S -","- C368 H384 N32 O64 S16 -","16","4","","Yang, Jin-Ming; Li, Peng-Hua; Wei, Yin; Tang, Xiang-Ying; Shi, Min","Gold(i)-catalyzed highly stereoselective synthesis of polycyclic indolines: the construction of four contiguous stereocenters.","Chemical communications (Cambridge, England)","2016","52","2","346","349","10.1039/c5cc08381h","","","0.71073","MoKα","","0.14","0.0541","","","0.1001","0.1337","","","","","","1.015","","","","has coordinates","175842","2020-10-21","18:00:00",""
"7118705","28.98","0.004","28.98","0.004","40.961","0.008","90","","90","","90","","34401","9","100","2","100","2","","","","","","","","5","I 4/m","-I 4","87","","","","- C288 H288 Cu12 O108 Pd12 -","- C288 H288 Cu12 O108 Pd12 -","- C576 H576 Cu24 O216 Pd24 -","2","0.125","","Teo, Jesse M.; Coghlan, Campbell J.; Evans, Jack D.; Tsivion, Ehud; Head-Gordon, Martin; Sumby, Christopher J.; Doonan, Christian J.","Hetero-bimetallic metal-organic polyhedra.","Chemical communications (Cambridge, England)","2016","52","2","276","279","10.1039/c5cc08336b","","","0.71073","Synchrotron","","0.1087","0.0948","","","0.2606","0.2726","","","","","","1.04","","","","has coordinates,has disorder","175843","2020-10-21","18:00:00",""
"7118706","29.174","0.004","29.174","0.004","41.296","0.008","90","","90","","90","","35148","10","100","2","100","2","","","","","","","","5","I 4/m","-I 4","87","","","","- C288 H288 Ni12 O108 Pd12 -","- C288 H288 Ni12 O108 Pd12 -","- C576 H576 Ni24 O216 Pd24 -","2","0.125","","Teo, Jesse M.; Coghlan, Campbell J.; Evans, Jack D.; Tsivion, Ehud; Head-Gordon, Martin; Sumby, Christopher J.; Doonan, Christian J.","Hetero-bimetallic metal-organic polyhedra.","Chemical communications (Cambridge, England)","2016","52","2","276","279","10.1039/c5cc08336b","","","0.71073","Synchrotron","","0.0833","0.069","","","0.2067","0.2183","","","","","","1.072","","","","has coordinates,has disorder","175843","2020-10-21","18:00:00",""
"7118707","28.935","0.004","28.935","0.004","41.164","0.008","90","","90","","90","","34464","10","100","2","100","2","","","","","","","","5","I 4/m","-I 4","87","","","","- C288 H288 O108 Pd12 Zn12 -","- C288 H288 O108 Pd12 Zn12 -","- C576 H576 O216 Pd24 Zn24 -","2","0.125","","Teo, Jesse M.; Coghlan, Campbell J.; Evans, Jack D.; Tsivion, Ehud; Head-Gordon, Martin; Sumby, Christopher J.; Doonan, Christian J.","Hetero-bimetallic metal-organic polyhedra.","Chemical communications (Cambridge, England)","2016","52","2","276","279","10.1039/c5cc08336b","","","0.71073","Synchrotron","","0.0919","0.0775","","","0.2233","0.2354","","","","","","1.043","","","","has coordinates,has disorder","175843","2020-10-21","18:00:00",""
"7118708","26.8876","0.0003","16.8644","0.0002","25.0129","0.0003","90","","95.248","0.001","90","","11294.4","0.2","293","2","293","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C65.5 H54 N3 O7.75 Tb -","- C65 H45.5 N3 O7.75 Tb -","- C520 H364 N24 O62 Tb8 -","8","2","","Zhang, Zhao; He, Ya-Ni; Liu, Lin; Lü, Xing-Qiang; Zhu, Xun-Jin; Wong, Wai-Kwok; Pan, Mei; Su, Cheng-Yong","Pure white-light and colour-tuning of Eu(3+)-Gd(3+)-containing metallopolymer.","Chemical communications (Cambridge, England)","2016","52","18","3713","3716","10.1039/c5cc09946c","","","0.71073","MoKα","","0.103","0.0781","","","0.2335","0.2577","","","","","","1.015","","","","has coordinates,has disorder","177646","2020-10-21","18:00:00",""
"7118718","6.623","0.002","8.437","0.003","17.92","0.006","88.636","0.007","88.061","0.007","85.928","0.007","998","0.6","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C18 H21 Br N2 O2 Si -","- C18 H19.5 Br N2 O2 Si -","- C36 H39 Br2 N4 O4 Si2 -","2","1","","Zhao, Yu-Lei; Cao, Zhong-Yan; Zeng, Xing-Ping; Shi, Jia-Meng; Yu, Yi-Hua; Zhou, Jian","Asymmetric sequential Au(i)/chiral tertiary amine catalysis: an enone-formation/cyanosilylation sequence to synthesize optically active 3-alkenyloxindoles from diazooxindoles.","Chemical communications (Cambridge, England)","2016","52","20","3943","3946","10.1039/c6cc00333h","","","0.71073","MoKα","","0.1063","0.0881","","","0.2618","0.2704","","","","","","1.082","","","","has coordinates,has disorder","177678","2020-10-21","18:00:00",""
"7118719","34.596","0.007","23.529","0.005","32.903","0.007","90","","113.63","0.03","90","","24538","11","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C105 H109.5 N21 O21 S0.5 -","- C105 H109.5 N21 O21 S0.5 -","- C840 H876 N168 O168 S4 -","8","2","","Chandramouli, Nagula; Ferrand, Yann; Kauffmann, Brice; Huc, Ivan","Citric acid encapsulation by a double helical foldamer in competitive solvents.","Chemical communications (Cambridge, England)","2016","52","20","3939","3942","10.1039/c6cc00190d","","","0.8726","synchrotronradiation","","0.2212","0.1705","","","0.4358","0.4705","","","","","","1.728","","","","has coordinates","192220","2020-10-21","18:00:00",""
"7118720","28.125","0.006","30.271","0.006","35.821","0.007","69.22","0.03","80.81","0.03","88.35","0.03","28134","12","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C428 H413 N84 O92 -","- C428 H443 N84 O92 -","- C856 H886 N168 O184 -","2","1","","Chandramouli, Nagula; Ferrand, Yann; Kauffmann, Brice; Huc, Ivan","Citric acid encapsulation by a double helical foldamer in competitive solvents.","Chemical communications (Cambridge, England)","2016","52","20","3939","3942","10.1039/c6cc00190d","","","1.54178","CuKα","","0.2712","0.1928","","","0.4322","0.4585","","","","","","1.961","","","","has coordinates","177679","2020-10-21","18:00:00",""
"7118721","8.96","0.03","24.2","0.08","17.53","0.05","90","","104.8","","90","","3675","2","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C35 H46 Cu F6 N4 P -","- C35 H46 Cu F6 N4 P -","- C140 H184 Cu4 F24 N16 P4 -","4","1","","Cheung, Pui Man; Berger, Robert F.; Zakharov, Lev N.; Gilbertson, John D.","Square planar Cu(i) stabilized by a pyridinediimine ligand.","Chemical communications (Cambridge, England)","2016","52","22","4156","4159","10.1039/c6cc00271d","","","0.71075","MoKα","","0.1266","0.0888","","","0.2239","0.2701","","","","","","0.941","","","","has coordinates,has disorder","181530","2020-10-21","18:00:00",""
"7118722","8.6259","0.0006","11.8633","0.0008","16.6506","0.0012","90","","100.785","0.008","90","","1673.8","0.2","100","2","100","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C33 H43 Cl Cu F6 N3 P -","- C33 H43 Cl Cu F6 N3 P -","- C66 H86 Cl2 Cu2 F12 N6 P2 -","2","1","","Cheung, Pui Man; Berger, Robert F.; Zakharov, Lev N.; Gilbertson, John D.","Square planar Cu(i) stabilized by a pyridinediimine ligand.","Chemical communications (Cambridge, England)","2016","52","22","4156","4159","10.1039/c6cc00271d","","","0.71075","MoKα","","0.0698","0.0657","","","0.1802","0.186","","","","","","1.025","","","","has coordinates","181530","2020-10-21","18:00:00",""
"7118723","8.8683","0.0007","12.1402","0.0009","16.1427","0.0013","90","","100.426","0.008","90","","1709.3","0.2","100","2","100","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C34 H43 Cu F6 N3 O P -","- C34 H43 Cu F6 N3 O P -","- C68 H86 Cu2 F12 N6 O2 P2 -","2","1","","Cheung, Pui Man; Berger, Robert F.; Zakharov, Lev N.; Gilbertson, John D.","Square planar Cu(i) stabilized by a pyridinediimine ligand.","Chemical communications (Cambridge, England)","2016","52","22","4156","4159","10.1039/c6cc00271d","","","0.71075","MoKα","","0.051","0.0445","","","0.1245","0.1413","","","","","","0.986","","","","has coordinates","181530","2020-10-21","18:00:00",""
"7118724","12.4078","0.0019","13.287","0.002","14.052","0.002","96.92","0.003","105.67","0.003","107.141","0.003","2080.5","0.5","173","2","173","2","","","","","","","","7","P 1","P 1","1","","","","- C39 H54 Cu F6 N4 O P -","- C39 H54 Cu F6 N4 O P -","- C78 H108 Cu2 F12 N8 O2 P2 -","2","2","","Cheung, Pui Man; Berger, Robert F.; Zakharov, Lev N.; Gilbertson, John D.","Square planar Cu(i) stabilized by a pyridinediimine ligand.","Chemical communications (Cambridge, England)","2016","52","22","4156","4159","10.1039/c6cc00271d","","","0.71073","MoKα","","0.1009","0.0525","","","0.1096","0.1311","","","","","","1.017","","","","has coordinates,has disorder","181530","2020-10-21","18:00:00",""
"7118725","14.8812","0.0019","17.179","0.002","15.5446","0.0018","90","","95.597","0.002","90","","3954.9","0.8","223","2","223","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C42 H38 Cu F6 N6 P -","- C42 H38 Cu F6 N6 P -","- C168 H152 Cu4 F24 N24 P4 -","4","1","","Cheung, Pui Man; Berger, Robert F.; Zakharov, Lev N.; Gilbertson, John D.","Square planar Cu(i) stabilized by a pyridinediimine ligand.","Chemical communications (Cambridge, England)","2016","52","22","4156","4159","10.1039/c6cc00271d","","","0.71073","MoKα","","0.1076","0.0512","","","0.1086","0.1335","","","","","","1.008","","","","has coordinates","181530","2020-10-21","18:00:00",""
"7118726","32.313","0.003","19.769","0.002","3.7343","0.0003","90","","98.59","0.01","90","","2358.7","0.4","300","","300","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C22 N9 Na O5 -","- C22 N9 Na O5 -","- C88 N36 Na4 O20 -","4","1","","Lee, Gil Ryeong; Ohtsu, Hiroyoshi; Koo, Jinyoung; Yakiyama, Yumi; Park, Moon Jeong; Inoue, Daishi; Hashizume, Daisuke; Kawano, Masaki","Crystallinity-dependence of ionic conductivity in the ion pairs of a multi-interactive anion.","Chemical communications (Cambridge, England)","2016","52","20","3962","3965","10.1039/c5cc10136k","powder diffraction","","1.3","","","0.04361","","","","","","0.03995","0.05395","1.277","","","","","","","has coordinates","177675","2020-10-21","18:00:00",""
"7118727","13.908","0.014","20.33","0.02","10.298","0.012","90","","90","","90","","2912","5","100","2","100","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C27 H32 N9 Na O5 -","- C27 H32 N9 Na O5 -","- C108 H128 N36 Na4 O20 -","4","0.5","","Lee, Gil Ryeong; Ohtsu, Hiroyoshi; Koo, Jinyoung; Yakiyama, Yumi; Park, Moon Jeong; Inoue, Daishi; Hashizume, Daisuke; Kawano, Masaki","Crystallinity-dependence of ionic conductivity in the ion pairs of a multi-interactive anion.","Chemical communications (Cambridge, England)","2016","52","20","3962","3965","10.1039/c5cc10136k","","","0.71073","MoKα","","0.0921","0.0485","","","0.1055","0.1252","","","","","","1.023","","","","has coordinates","177675","2020-10-21","18:00:00",""
"7118728","39.9667","0.0003","3.761","","35.3988","0.0004","90","","122.88","","90","","4468.59","0.06","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C22 H16 N10 O3.75 -","- C22 H16 N10 O3.66 -","- C176 H128 N80 O29.28 -","8","1","","Lee, Gil Ryeong; Ohtsu, Hiroyoshi; Koo, Jinyoung; Yakiyama, Yumi; Park, Moon Jeong; Inoue, Daishi; Hashizume, Daisuke; Kawano, Masaki","Crystallinity-dependence of ionic conductivity in the ion pairs of a multi-interactive anion.","Chemical communications (Cambridge, England)","2016","52","20","3962","3965","10.1039/c5cc10136k","","","0.75","synchrotron","","0.0693","0.0496","","","0.1369","0.1492","","","","","","1.04","","","","has coordinates,has disorder","177675","2020-10-21","18:00:00",""
"7118729","21.6792","0.0001","21.6792","0.0001","9.235","","90","","90","","90","","4340.34","0.03","100","2","100","2","","","","","","","","4","P 42/n","-P 4bc","86","","","","- C22.88 H19 N10 O0.87 -","- C22.869 H19 N10 O0.869 -","- C182.952 H152 N80 O6.952 -","8","","","Lee, Gil Ryeong; Ohtsu, Hiroyoshi; Koo, Jinyoung; Yakiyama, Yumi; Park, Moon Jeong; Inoue, Daishi; Hashizume, Daisuke; Kawano, Masaki","Crystallinity-dependence of ionic conductivity in the ion pairs of a multi-interactive anion.","Chemical communications (Cambridge, England)","2016","52","20","3962","3965","10.1039/c5cc10136k","","","0.7","synchrotron","","0.0539","0.0508","","","0.1469","0.1498","","","","","","1.053","","","","has coordinates","177675","2020-10-21","18:00:00",""
"7118730","9.1833","0.0005","10.6603","0.0006","20.8558","0.0012","90","","90","","90","","2041.7","0.2","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C17 H22 I2 N2 O3 -","- C17 H22 I2 N2 O3 -","- C68 H88 I8 N8 O12 -","4","1","","Huang, Hai; Tang, Luning; Han, Xiaobo; He, Guangke; Xi, Yang; Zhu, Hongjun","Regioselective iodoamination of terminal ynamides for the synthesis of α-amino-β,β-diiodo-enamides.","Chemical communications (Cambridge, England)","2016","52","23","4321","4324","10.1039/c6cc00370b","","","0.71073","MoKα","","0.0216","0.0202","","","0.0479","0.0487","","","","","","1.059","","","","has coordinates","181573","2020-10-21","18:00:00",""
"7118731","14.7831","0.0013","5.6288","0.0005","18.2621","0.0016","90","","98.364","0.008","90","","1503.4","0.2","298","2","298","2","","","","","","","synthetic","5","P 1 21/n 1","-P 2yn","14","Epalrestat","5-[(1Z, 2E)-2-methyl-3-phenylpropenylidene]-4-oxo2-thioxo-3-thiazolidineacetic acid","","- C15 H13 N O3 S2 -","- C15 H13 N O3 S2 -","- C60 H52 N4 O12 S8 -","4","1","","Swapna, Battini; Suresh, Kuthuru; Nangia, Ashwini","Color polymorphs of aldose reductase inhibitor epalrestat: configurational, conformational and synthon differences.","Chemical communications (Cambridge, England)","2016","52","21","4037","4040","10.1039/c6cc00697c","","","0.71073","MoKα","","0.0619","0.0427","","","0.0907","0.0996","","","","","","1.026","","","","has coordinates","177682","2020-10-21","18:00:00",""
"7118732","13.7384","0.0004","9.1063","0.0003","24.1429","0.0007","90","","100.747","0.003","90","","2967.44","0.16","298","2","298","2","","","","","","","synthetic","5","C 1 2/c 1","-C 2yc","15","Epalrestat","5-[(1Z, 2E)-2-methyl-3-phenylpropenylidene]-4-oxo2-thioxo-3-thiazolidineacetic acid","","- C15 H13 N O3 S2 -","- C15 H13 N O3 S2 -","- C120 H104 N8 O24 S16 -","8","1","","Swapna, Battini; Suresh, Kuthuru; Nangia, Ashwini","Color polymorphs of aldose reductase inhibitor epalrestat: configurational, conformational and synthon differences.","Chemical communications (Cambridge, England)","2016","52","21","4037","4040","10.1039/c6cc00697c","","","1.54184","CuKα","","0.0583","0.0558","","","0.1514","0.155","","","","","","1.087","","","","has coordinates","177682","2020-10-21","18:00:00",""
"7118733","8.1399","0.001","11.5584","0.0014","16.1506","0.0019","96.721","0.01","93.818","0.01","104.724","0.01","1452.2","0.3","298","2","298","2","","","","","","","synthetic","5","P -1","-P 1","2","Epalrestat","5-[(1Z, 2E)-2-methyl-3-phenylpropenylidene]-4-oxo2-thioxo-3-thiazolidineacetic acid","","- C15 H13 N O3 S2 -","- C15 H13 N O3 S2 -","- C60 H52 N4 O12 S8 -","4","2","","Swapna, Battini; Suresh, Kuthuru; Nangia, Ashwini","Color polymorphs of aldose reductase inhibitor epalrestat: configurational, conformational and synthon differences.","Chemical communications (Cambridge, England)","2016","52","21","4037","4040","10.1039/c6cc00697c","","","0.71073","MoKα","","0.138","0.0633","","","0.0779","0.1084","","","","","","0.983","","","","has coordinates","177682","2020-10-21","18:00:00",""
"7118734","11.4252","0.0005","6.9479","0.0003","19.4673","0.0009","90","","102.898","0.005","90","","1506.35","0.12","298","2","298","2","","","","","","","synthetic","5","P 1 21/c 1","-P 2ybc","14","Epalrestat","5-[(1Z, 2E)-2-methyl-3-phenylpropenylidene]-4-oxo2-thioxo-3-thiazolidineacetic acid","","- C15 H13 N O3 S2 -","- C15 H13 N O3 S2 -","- C60 H52 N4 O12 S8 -","4","1","","Swapna, Battini; Suresh, Kuthuru; Nangia, Ashwini","Color polymorphs of aldose reductase inhibitor epalrestat: configurational, conformational and synthon differences.","Chemical communications (Cambridge, England)","2016","52","21","4037","4040","10.1039/c6cc00697c","","","1.54184","CuKα","","0.0767","0.0543","","","0.1421","0.1604","","","","","","1.036","","","","has coordinates","177682","2020-10-21","18:00:00",""
"7118735","23.7527","0.0009","12.0648","0.0005","25.9809","0.0014","90","","113.065","0.001","90","","6850.2","0.5","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","W2(DippF)2Cl4Li","","- C66 H102 Cl4 Li N4 O4 W2 -","- C66 H102 Cl4 Li N4 O4 W2 -","- C264 H408 Cl16 Li4 N16 O16 W8 -","4","0.5","","Ventura, K.; Prat, J. R.; Aguirre Quintana, L. M.; Goos, A.; Villagran, D.","Unprecedented W2(0) quadruply bonded complex supported by π-donor ligands.","Chemical communications (Cambridge, England)","2016","52","20","3974","3976","10.1039/c5cc09972b","","","0.71073","MoKα","","0.117","0.1015","","","0.2071","0.2153","","","","","","1.226","","","","has coordinates","177677","2020-10-21","18:00:00",""
"7118736","10.879","0.002","13.364","0.003","23.272","0.005","96.119","0.006","99.34","0.006","105.7","0.006","3173.4","1.2","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","W2(DippF)2K2","","- C58 H88 K2 N4 O2 W2 -","- C58 H88 K2 N4 O2 W2 -","- C116 H176 K4 N8 O4 W4 -","2","1","","Ventura, K.; Prat, J. R.; Aguirre Quintana, L. M.; Goos, A.; Villagran, D.","Unprecedented W2(0) quadruply bonded complex supported by π-donor ligands.","Chemical communications (Cambridge, England)","2016","52","20","3974","3976","10.1039/c5cc09972b","","","0.71073","MoKα","","0.1165","0.074","","","0.2002","0.2446","","","","","","1.113","","","","has coordinates","211691","2020-10-21","18:00:00",""
"7118737","10.6334","0.0007","12.3442","0.0008","12.6391","0.0008","102.884","0.003","91.323","0.002","90.704","0.002","1616.56","0.18","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C24 H44 Br F10 P2 Pd S2 -","- C24 H44 Br F10 P2 Pd S2 -","- C48 H88 Br2 F20 P4 Pd2 S4 -","2","1","","Berg, Claudia; Braun, Thomas; Laubenstein, Reik; Braun, Beatrice","Palladium-mediated borylation of pentafluorosulfanyl functionalized compounds: the crucial role of metal fluorido complexes.","Chemical communications (Cambridge, England)","2016","52","20","3931","3934","10.1039/c5cc10219g","","","0.71073","MoKα","","0.0293","0.0272","","","0.0651","0.0661","","","","","","1.035","","","","has coordinates","177680","2020-10-21","18:00:00",""
"7118738","14.4952","0.0005","12.5053","0.0004","18.0453","0.0006","90","","112.244","0.001","90","","3027.59","0.18","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C24 H46 F5 I P2 Pd S -","- C24 H46 F5 I P2 Pd S -","- C96 H184 F20 I4 P8 Pd4 S4 -","4","1","","Berg, Claudia; Braun, Thomas; Laubenstein, Reik; Braun, Beatrice","Palladium-mediated borylation of pentafluorosulfanyl functionalized compounds: the crucial role of metal fluorido complexes.","Chemical communications (Cambridge, England)","2016","52","20","3931","3934","10.1039/c5cc10219g","","","0.71073","MoKα","","0.0432","0.0317","","","0.0743","0.0805","","","","","","1.009","","","","has coordinates","177680","2020-10-21","18:00:00",""
"7118739","9.3877","0.0005","12.7766","0.0005","26.0735","0.0015","90","","108.762","0.004","90","","2961.2","0.3","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C24 H46 Br F5 P2 Pd S -","- C24 H46 Br F5 P2 Pd S -","- C96 H184 Br4 F20 P8 Pd4 S4 -","4","1","","Berg, Claudia; Braun, Thomas; Laubenstein, Reik; Braun, Beatrice","Palladium-mediated borylation of pentafluorosulfanyl functionalized compounds: the crucial role of metal fluorido complexes.","Chemical communications (Cambridge, England)","2016","52","20","3931","3934","10.1039/c5cc10219g","","","0.71073","MoKα","","0.0564","0.0472","","","0.1328","0.1434","","","","","","0.954","","","","has coordinates","177680","2020-10-21","18:00:00",""
"7118740","12.1389","0.0018","8.7547","0.0012","13.5608","0.0019","90","","100.44","0.005","90","","1417.3","0.3","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C12 H8 F10 S2 -","- C12 H8 F10 S2 -","- C48 H32 F40 S8 -","4","1","","Berg, Claudia; Braun, Thomas; Laubenstein, Reik; Braun, Beatrice","Palladium-mediated borylation of pentafluorosulfanyl functionalized compounds: the crucial role of metal fluorido complexes.","Chemical communications (Cambridge, England)","2016","52","20","3931","3934","10.1039/c5cc10219g","","","0.71073","MoKα","","0.0536","0.0394","","","0.0957","0.1022","","","","","","1.059","","","","has coordinates","177680","2020-10-21","18:00:00",""
"7118741","10.779","0.002","12.164","0.003","12.241","0.003","80.079","0.008","89.555","0.007","88.284","0.008","1580.3","0.6","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C24 H45 F11 P2 Pd S2 -","- C24 H45 F11 P2 Pd S2 -","- C48 H90 F22 P4 Pd2 S4 -","2","1","","Berg, Claudia; Braun, Thomas; Laubenstein, Reik; Braun, Beatrice","Palladium-mediated borylation of pentafluorosulfanyl functionalized compounds: the crucial role of metal fluorido complexes.","Chemical communications (Cambridge, England)","2016","52","20","3931","3934","10.1039/c5cc10219g","","","0.71073","MoKα","","0.0328","0.0299","","","0.0749","0.0769","","","","","","1.063","","","","has coordinates","177680","2020-10-21","18:00:00",""
"7118742","9.9552","0.0009","11.159","0.0009","13.6383","0.0011","73.775","0.003","71.961","0.003","76.711","0.003","1366.1","0.2","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C18 H18 B F20 O2 S4 -","- C18 H18 B F20 O2 S4 -","- C36 H36 B2 F40 O4 S8 -","2","1","","Berg, Claudia; Braun, Thomas; Laubenstein, Reik; Braun, Beatrice","Palladium-mediated borylation of pentafluorosulfanyl functionalized compounds: the crucial role of metal fluorido complexes.","Chemical communications (Cambridge, England)","2016","52","20","3931","3934","10.1039/c5cc10219g","","","0.71073","MoKα","","0.0356","0.0283","","","0.0692","0.0727","","","","","","1.042","","","","has coordinates","177680","2020-10-21","18:00:00",""
"7118743","17.7793","0.0007","18.0796","0.0007","22.8488","0.0016","83.835","0.006","84.664","0.006","61.434","0.004","6405.9","0.6","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","Na6TBC[8](THF)7.(THF)5","","- C136 H191 Na6 O20 -","- C136 H191 Na6 O20 -","- C272 H382 Na12 O40 -","2","1","","Ryan, Jason D.; Gagnon, Kevin J.; Teat, Simon J.; McIntosh, Ruaraidh D.","Flexible macrocycles as versatile supports for catalytically active metal clusters.","Chemical communications (Cambridge, England)","2016","52","58","9071","9073","10.1039/c6cc00478d","","","0.71075","MoKα","","0.1634","0.112","","","0.3012","0.3388","","","","","","1.024","","","","has coordinates,has disorder","185104","2020-10-21","18:00:00",""
"7118744","42.023","0.003","18.0435","0.0014","30.746","0.002","90","","95.407","0.004","90","","23209","3","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","C212H252O38Ti8","","- C200 H254 O24 Ti8 -","- C212 H254 O38 Ti8 -","- C848 H1016 O152 Ti32 -","4","0.5","","Ryan, Jason D.; Gagnon, Kevin J.; Teat, Simon J.; McIntosh, Ruaraidh D.","Flexible macrocycles as versatile supports for catalytically active metal clusters.","Chemical communications (Cambridge, England)","2016","52","58","9071","9073","10.1039/c6cc00478d","","","0.71073","MoKα","","0.5505","0.4271","","","0.7964","0.8408","","","","","","3.147","","","","has coordinates,has disorder","185104","2020-10-21","18:00:00",""
"7118745","14.496","0.002","16.122","0.002","17.367","0.003","77.94","0.009","70.572","0.008","63.959","0.008","3429.6","0.9","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","Ti4TBC[8](OC3H7)4(THF)2","","- C140 H216 O23 Ti4 -","- C136 H208 O22 Ti4 -","- C136 H208 O22 Ti4 -","1","0.5","","Ryan, Jason D.; Gagnon, Kevin J.; Teat, Simon J.; McIntosh, Ruaraidh D.","Flexible macrocycles as versatile supports for catalytically active metal clusters.","Chemical communications (Cambridge, England)","2016","52","58","9071","9073","10.1039/c6cc00478d","","","0.71073","MoKα","","0.181","0.0921","","","0.2162","0.2501","","","","","","0.994","","","","has coordinates","185104","2020-10-21","18:00:00",""
"7118746","8.4914","0.0008","10.2896","0.0009","15.2108","0.0013","89.626","0.003","85.989","0.003","89.673","0.003","1325.7","0.2","103","","103","","","","","","","","","5","P -1","-P 1","2","","","","- C14 H14 F5 N O -","- C14 H14 F5 N O -","- C56 H56 F20 N4 O4 -","4","2","","Katayev, D.; Václavík, J; Brüning, F; Commare, B.; Togni, A.","Synthesis of quaternary α-perfluoroalkyl lactams via electrophilic perfluoroalkylation.","Chemical communications (Cambridge, England)","2016","52","21","4049","4052","10.1039/c6cc00700g","","x-ray","0.71073","MoKα","","0.0769","0.0505","","","0.1028","0.1129","","","","","","1.162","","","","has coordinates","177685","2020-10-21","18:00:00",""
"7118747","6.2235","0.0004","9.799","0.0006","9.2211","0.0006","90","","97.094","0.002","90","","558.04","0.06","101","2","101","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C10 H17 Br O2 -","- C10 H17 Br O2 -","- C20 H34 Br2 O4 -","2","1","","Verma, Ajay; Jana, Sadhan; Durga Prasad, Ch; Yadav, Abhimanyu; Kumar, Sangit","Organoselenium and DMAP co-catalysis: regioselective synthesis of medium-sized halolactones and bromooxepanes from unactivated alkenes.","Chemical communications (Cambridge, England)","2016","52","22","4179","4182","10.1039/c5cc10245f","","x-ray","0.71073","MoKα","","0.0553","0.0531","","","0.1427","0.1465","","","","","","1.063","","","","has coordinates","181527","2020-10-21","18:00:00",""
"7118748","13.176","0.003","7.6455","0.0017","15.656","0.004","90","","90","","90","","1577.1","0.6","302","2","302","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C7 H11 Br O2 -","- C7 H11 Br O2 -","- C56 H88 Br8 O16 -","8","1","","Verma, Ajay; Jana, Sadhan; Durga Prasad, Ch; Yadav, Abhimanyu; Kumar, Sangit","Organoselenium and DMAP co-catalysis: regioselective synthesis of medium-sized halolactones and bromooxepanes from unactivated alkenes.","Chemical communications (Cambridge, England)","2016","52","22","4179","4182","10.1039/c5cc10245f","","x-ray","0.71073","MoKα","","0.0549","0.0446","","","0.1086","0.1145","","","","","","1.049","","","","has coordinates","182221","2020-10-21","18:00:00",""
"7118749","6.1527","0.001","26.213","0.004","8.0982","0.0014","90","","95.797","0.005","90","","1299.4","0.4","301","2","301","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C14 H14 O2 Se -","- C14 H14 O2 Se -","- C56 H56 O8 Se4 -","4","1","","Verma, Ajay; Jana, Sadhan; Durga Prasad, Ch; Yadav, Abhimanyu; Kumar, Sangit","Organoselenium and DMAP co-catalysis: regioselective synthesis of medium-sized halolactones and bromooxepanes from unactivated alkenes.","Chemical communications (Cambridge, England)","2016","52","22","4179","4182","10.1039/c5cc10245f","","x-ray","0.71073","MoKα","","0.0607","0.0491","","","0.11","0.1149","","","","","","1.139","","","","has coordinates","182221","2020-10-21","18:00:00",""
"7118750","7.8195","0.0007","8.6185","0.0008","11.8731","0.0011","84.638","0.004","85.762","0.004","75.567","0.004","770.45","0.12","133","2","133","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H14 Br2 O2 Se -","- C14 H14 Br2 O2 Se -","- C28 H28 Br4 O4 Se2 -","2","1","","Verma, Ajay; Jana, Sadhan; Durga Prasad, Ch; Yadav, Abhimanyu; Kumar, Sangit","Organoselenium and DMAP co-catalysis: regioselective synthesis of medium-sized halolactones and bromooxepanes from unactivated alkenes.","Chemical communications (Cambridge, England)","2016","52","22","4179","4182","10.1039/c5cc10245f","","x-ray","0.71073","MoKα","","0.0454","0.0415","","","0.129","0.1324","","","","","","1.074","","","","has coordinates","182221","2020-10-21","18:00:00",""
"7118751","10.6207","0.0004","8.4724","0.0003","12.7806","0.0005","90","","104.935","0.001","90","","1111.18","0.07","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C11 H11 Br O4 -","- C11 H11 Br O4 -","- C44 H44 Br4 O16 -","4","1","","Verma, Ajay; Jana, Sadhan; Durga Prasad, Ch; Yadav, Abhimanyu; Kumar, Sangit","Organoselenium and DMAP co-catalysis: regioselective synthesis of medium-sized halolactones and bromooxepanes from unactivated alkenes.","Chemical communications (Cambridge, England)","2016","52","22","4179","4182","10.1039/c5cc10245f","","x-ray","0.71073","MoKα","","0.035","0.03","","","0.0708","0.0737","","","","","","1.064","","","","has coordinates","182221","2020-10-21","18:00:00",""
"7118752","5.4464","0.0003","8.716","0.0005","25.2572","0.0014","90","","91.713","0.004","90","","1198.44","0.12","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C11 H12 Br N O4 -","- C11 H12 Br N O4 -","- C44 H48 Br4 N4 O16 -","4","1","","Santra, Sourav Kumar; Banerjee, Arghya; Rajamanickam, Suresh; Khatun, Nilufa; Patel, Bhisma K.","Pd(II)/CuBr2 catalysed keto α-Csp3-H benzoxylation of N,N-dialkylamides directed by o-hydroxy groups.","Chemical communications (Cambridge, England)","2016","52","24","4501","4504","10.1039/c6cc00971a","","","0.71073","MoKα","","0.0779","0.0402","","","0.0928","0.1047","","","","","","1.039","","","","has coordinates","181545","2020-10-21","18:00:00",""
"7118753","6.9732","0.0002","15.0872","0.0003","14.2862","0.0004","90","","95.411","0.002","90","","1496.3","0.07","100","0.1","100","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C13 H16 Cl2 N4 O3 -","- C13 H16 Cl2 N4 O3 -","- C52 H64 Cl8 N16 O12 -","4","1","","Sashuk, Volodymyr; Butkiewicz, Helena; Fiałkowski, Marcin; Danylyuk, Oksana","Triggering autocatalytic reaction by host-guest interactions.","Chemical communications (Cambridge, England)","2016","52","22","4191","4194","10.1039/c5cc10063a","","","1.54184","CuKα","","0.0562","0.0532","","","0.1463","0.1474","","","","","","1.116","","","","has coordinates","181523","2020-10-21","18:00:00",""
"7118754","12.6037","0.0003","18.505","0.0006","14.088","0.0003","90","","97.74","0.002","90","","3255.83","0.15","100","0.1","100","0.1","","","","","","","","5","P 1 c 1","P -2yc","7","","","","- C49 H49 Cl N28 O29 -","- C49 H49 Cl N28 O28.849 -","- C98 H98 Cl2 N56 O57.698 -","2","1","","Sashuk, Volodymyr; Butkiewicz, Helena; Fiałkowski, Marcin; Danylyuk, Oksana","Triggering autocatalytic reaction by host-guest interactions.","Chemical communications (Cambridge, England)","2016","52","22","4191","4194","10.1039/c5cc10063a","","","1.54184","CuKα","","0.0904","0.085","","","0.2577","0.269","","","","","","1.236","","","","has coordinates,has disorder","181523","2020-10-21","18:00:00",""
"7118755","7.4885","0.0002","10.5846","0.0003","17.5033","0.0004","90","","98.615","0.002","90","","1371.71","0.06","100.1","0.1","100.1","0.1","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C13 H15 Cl N4 O2 -","- C13 H15 Cl N4 O2 -","- C52 H60 Cl4 N16 O8 -","4","1","","Sashuk, Volodymyr; Butkiewicz, Helena; Fiałkowski, Marcin; Danylyuk, Oksana","Triggering autocatalytic reaction by host-guest interactions.","Chemical communications (Cambridge, England)","2016","52","22","4191","4194","10.1039/c5cc10063a","","","0.71073","MoKα","","0.0315","0.0287","","","0.079","0.0806","","","","","","1.063","","","","has coordinates","201913","2020-10-21","18:00:00",""
"7118756","12.6407","0.0002","15.8596","0.0002","12.6429","0.0002","90","","102.853","0.002","90","","2471.1","0.07","100","0.1","100","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C42 H42 N24 O21.5 -","- C42 H42 N24 O21.33 -","- C84 H84 N48 O42.66 -","2","1","","Sashuk, Volodymyr; Butkiewicz, Helena; Fiałkowski, Marcin; Danylyuk, Oksana","Triggering autocatalytic reaction by host-guest interactions.","Chemical communications (Cambridge, England)","2016","52","22","4191","4194","10.1039/c5cc10063a","","","1.54184","CuKα","","0.0526","0.0517","","","0.1438","0.1449","","","","","","1.008","","","","has coordinates,has disorder","181523","2020-10-21","18:00:00",""
"7118757","9.5705","0.0003","20.6075","0.0007","15.8172","0.0004","90","","90.295","0.003","90","","3119.49","0.16","173","","173","","","","","","","","","4","P 1 21 1","P 2yb","4","","Diarylmethine-substituted Oxindole 3ab","","- C38 H41 N O2 -","- C38 H41 N O2 -","- C152 H164 N4 O8 -","4","2","","Deng, Yu-Hua; Zhang, Xiang-Zhi; Yu, Ke-Yin; Yan, Xu; Du, Ji-Yuan; Huang, Hanmin; Fan, Chun-An","Bifunctional tertiary amine-squaramide catalyzed asymmetric catalytic 1,6-conjugate addition/aromatization of para-quinone methides with oxindoles.","Chemical communications (Cambridge, England)","2016","52","22","4183","4186","10.1039/c5cc10502a","","x-ray","1.54184","CuKα","","0.0374","0.0355","","","0.0895","0.0905","","","","","","1.059","","","","has coordinates","181528","2020-10-21","18:00:00",""
"7118758","21.2111","0.0008","21.2111","0.0008","21.2111","0.0008","90","","90","","90","","9543.1","0.6","100","2","100","2","","","","","","","","6","P m -3","-P 2 2 3","200","","","","- C160 H112 Cu6 F18 Ge3 N32 -","- C160.001 H112.001 Cu6 F18 Ge3 N31.9992 -","- C160.001 H112.001 Cu6 F18 Ge3 N31.9992 -","1","0.0416667","","Lusi, Matteo; Fechine, Pierre B. A.; Chen, Kai-Jie; Perry, John J.; Zaworotko, Michael J.","A rare cationic building block that generates a new type of polyhedral network with ""cross-linked"" pto topology.","Chemical communications (Cambridge, England)","2016","52","22","4160","4162","10.1039/c5cc10203k","","","1.54178","CuKα","","0.159","0.1513","","","0.4423","0.4511","","","","","","2.098","","","","has coordinates,has disorder","181529","2020-10-21","18:00:00",""
"7118759","21.1882","0.0004","21.1882","0.0004","21.1882","0.0004","90","","90","","90","","9512.2","0.3","446","2","446","2","","","","","","","","6","P m -3","-P 2 2 3","200","","","","- C160 H112 Cu6 F18 N32 Si3 -","- C160.001 H112.001 Cu6 F18 N31.9992 Si3 -","- C160.001 H112.001 Cu6 F18 N31.9992 Si3 -","1","0.0416667","","Lusi, Matteo; Fechine, Pierre B. A.; Chen, Kai-Jie; Perry, John J.; Zaworotko, Michael J.","A rare cationic building block that generates a new type of polyhedral network with ""cross-linked"" pto topology.","Chemical communications (Cambridge, England)","2016","52","22","4160","4162","10.1039/c5cc10203k","","","1.54178","CuKα","","0.195","0.1719","","","0.4021","0.4091","","","","","","2.772","","","","has coordinates,has disorder","181529","2020-10-21","18:00:00",""
"7118760","21.2379","0.001","21.2379","0.001","21.2379","0.001","90","","90","","90","","9579.3","0.8","100","2","100","2","","","","","","","","6","P m -3","-P 2 2 3","200","","","","- C160 H112 Cu6 F18 N32 Sn3 -","- C160.001 H112.001 Cu6 F18 N31.9992 Sn3 -","- C160.001 H112.001 Cu6 F18 N31.9992 Sn3 -","1","0.0416667","","Lusi, Matteo; Fechine, Pierre B. A.; Chen, Kai-Jie; Perry, John J.; Zaworotko, Michael J.","A rare cationic building block that generates a new type of polyhedral network with ""cross-linked"" pto topology.","Chemical communications (Cambridge, England)","2016","52","22","4160","4162","10.1039/c5cc10203k","","","1.54178","CuKα","","0.2349","0.1653","","","0.4324","0.4636","","","","","","1.34","","","","has coordinates,has disorder","181529","2020-10-21","18:00:00",""
"7118761","21.2174","0.0008","21.2174","0.0008","21.2174","0.0008","90","","90","","90","","9551.6","0.6","100","2","100","2","","","","","","","","6","P m -3","-P 2 2 3","200","","","","- C160 H112 Cu6 F18 N32 Ti3 -","- C160.001 H112.001 Cu6 F18 N31.9992 Ti3 -","- C160.001 H112.001 Cu6 F18 N31.9992 Ti3 -","1","0.0416667","","Lusi, Matteo; Fechine, Pierre B. A.; Chen, Kai-Jie; Perry, John J.; Zaworotko, Michael J.","A rare cationic building block that generates a new type of polyhedral network with ""cross-linked"" pto topology.","Chemical communications (Cambridge, England)","2016","52","22","4160","4162","10.1039/c5cc10203k","","","1.54178","CuKα","","0.2601","0.1732","","","0.4334","0.4642","","","","","","1.49","","","","has coordinates,has disorder","181529","2020-10-21","18:00:00",""
"7118762","21.165","0.002","21.165","0.002","21.165","0.002","90","","90","","90","","9481","1.6","102","2","102","2","","","","","","","","6","P m -3","-P 2 2 3","200","","","","- C160 H112 Cu6 F18 N32 Zr3 -","- C160.001 H112.001 Cu6 F18 N31.9992 Zr3 -","- C160.001 H112.001 Cu6 F18 N31.9992 Zr3 -","1","0.0416667","","Lusi, Matteo; Fechine, Pierre B. A.; Chen, Kai-Jie; Perry, John J.; Zaworotko, Michael J.","A rare cationic building block that generates a new type of polyhedral network with ""cross-linked"" pto topology.","Chemical communications (Cambridge, England)","2016","52","22","4160","4162","10.1039/c5cc10203k","","","1.54178","CuKα","","0.3057","0.2351","","","0.5086","0.5336","","","","","","1.861","","","","has coordinates,has disorder","181529","2020-10-21","18:00:00",""
"7118763","12.1788","0.0004","13.6793","0.0005","24.891","0.0006","89.173","0.002","85.674","0.002","65.484","0.003","3761.5","0.2","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","","","- C75 H81 Cl9 N6 O8 S2 -","- C75 H81 Cl9 N6 O8 S2 -","- C150 H162 Cl18 N12 O16 S4 -","2","1","","Huang, Guobao; Valkonen, Arto; Rissanen, Kari; Jiang, Wei","endo-Functionalized molecular tubes: selective encapsulation of neutral molecules in non-polar media.","Chemical communications (Cambridge, England)","2016","52","58","9078","9081","10.1039/c6cc00349d","","","1.54184","CuKα","","0.0502","0.0404","","","0.1002","0.1065","","","","","","1.021","","","","has coordinates,has disorder","185101","2020-10-21","18:00:00",""
"7118764","26.2252","0.0015","6.7734","0.0003","11.5919","0.0006","90","","115.831","0.003","90","","1853.37","0.17","296","2","296","2","","","","","","","","6","C 1 2 1","C 2y","5","(Ss)-(+)-N-[(R)-1-Cyano-2-(1?,2?-dicarba-closo-dodecaboranyl)ethyl]-tert-butylsulfinamide","21 b (EDM345)","","- C9 H24 B10 N2 O S -","- C9 H24 B10 N2 O S -","- C36 H96 B40 N8 O4 S4 -","4","1","","de Bruin, Gerjan; Mock, Elliot D.; Hoogendoorn, Sascha; van den Nieuwendijk, Adrianus M. C. H.; Mazurek, Jaroslaw; van der Marel, Gijsbert A.; Florea, Bogdan I.; Overkleeft, Herman S.","Enantioselective synthesis of adamantylalanine and carboranylalanine and their incorporation into the proteasome inhibitor bortezomib.","Chemical communications (Cambridge, England)","2016","52","21","4064","4067","10.1039/c6cc01156j","","","0.71073","MoKα","","0.0637","0.047","","","0.1033","0.1099","","","","","","1.079","","","","has coordinates","177686","2020-10-21","18:00:00",""
"7118765","6.7451","0.0003","11.1419","0.0006","26.4844","0.0018","90","","90","","90","","1990.39","0.19","296","2","296","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","(Rs)-(+)-N-[(S)-1-Cyano-2-(1?,2?-dicarba-closo-dodecaboranyl)ethyl]-tert-butylsulfinamide","22 (EDM371)","","- C9 H26 B10 N2 O2 S -","- C9 H26 B10 N2 O2 S -","- C36 H104 B40 N8 O8 S4 -","4","1","","de Bruin, Gerjan; Mock, Elliot D.; Hoogendoorn, Sascha; van den Nieuwendijk, Adrianus M. C. H.; Mazurek, Jaroslaw; van der Marel, Gijsbert A.; Florea, Bogdan I.; Overkleeft, Herman S.","Enantioselective synthesis of adamantylalanine and carboranylalanine and their incorporation into the proteasome inhibitor bortezomib.","Chemical communications (Cambridge, England)","2016","52","21","4064","4067","10.1039/c6cc01156j","","","0.71073","MoKα","","0.0621","0.0552","","","0.1418","0.1468","","","","","","1.056","","","","has coordinates,has disorder","211332","2020-10-21","18:00:00",""
"7118766","11.5615","0.0003","10.114","0.0003","12.3397","0.0003","90","","100.223","0.003","90","","1420.01","0.07","130","0.1","130","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C28 H47 N3 O6 -","- C28 H47 N3 O6 -","- C56 H94 N6 O12 -","2","1","","Zalewski, A. N.; Nathanael, J. G.; White, J. M.; Wille, U.","Oxidation of cholesterol and O-protected derivatives by the environmental pollutant NO2˙.","Chemical communications (Cambridge, England)","2016","52","21","4060","4063","10.1039/c5cc09663d","","x-ray","0.71073","MoKα","","0.0642","0.049","","","0.1259","0.1379","","","","","","1.061","","","","has coordinates","177687","2020-10-21","18:00:00",""
"7118767","8.3737","0.0003","12.3461","0.0004","23.8575","0.0007","90","","90","","90","","2466.45","0.14","103","2","103","2","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C28 H23 Cl N O P Pd S -","- C28 H23 Cl N O P Pd S -","- C112 H92 Cl4 N4 O4 P4 Pd4 S4 -","4","1","","Yang, Xiang-Yuan; Tay, Wee Shan; Li, Yongxin; Pullarkat, Sumod A.; Leung, Pak-Hing","The synthesis and efficient one-pot catalytic ""self-breeding"" of asymmetrical NC(sp(3))E-hybridised pincer complexes.","Chemical communications (Cambridge, England)","2016","52","22","4211","4214","10.1039/c6cc00763e","","","0.71073","MoKα","","0.0555","0.052","","","0.0992","0.1002","","","","","","1.25","","","","has coordinates,has disorder","181526","2020-10-21","18:00:00",""
"7118768","8.4079","0.0004","12.0255","0.0006","23.7756","0.0012","90","","90.682","0.003","90","","2403.8","0.2","103","2","103","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C28 H23 Cl N O2 P Pd -","- C28 H23 Cl N O2 P Pd -","- C112 H92 Cl4 N4 O8 P4 Pd4 -","4","2","","Yang, Xiang-Yuan; Tay, Wee Shan; Li, Yongxin; Pullarkat, Sumod A.; Leung, Pak-Hing","The synthesis and efficient one-pot catalytic ""self-breeding"" of asymmetrical NC(sp(3))E-hybridised pincer complexes.","Chemical communications (Cambridge, England)","2016","52","22","4211","4214","10.1039/c6cc00763e","","","0.71073","MoKα","","0.0661","0.0582","","","0.1223","0.1257","","","","","","1.074","","","","has coordinates","181526","2020-10-21","18:00:00",""
"7118769","11.0838","0.0003","50.0332","0.0009","10.6703","0.0002","90","","107.01","0.003","90","","5658.4","0.2","110","2","110","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C27 H43 N3 O5 -","- C27 H43 N3 O5 -","- C216 H344 N24 O40 -","8","2","","Angelici, G.; Bhattacharjee, N.; Roy, O.; Faure, S.; Didierjean, C.; Jouffret, L.; Jolibois, F.; Perrin, L.; Taillefumier, C.","Weak backbone CHO[double bond, length as m-dash]C and side chain tButBu London interactions help promote helix folding of achiral NtBu peptoids.","Chemical communications (Cambridge, England)","2016","52","24","4573","4576","10.1039/c6cc00375c","","","1.5418","CuKα","","0.1086","0.0995","","","0.2141","0.2193","","","","","","1.128","","","","has coordinates","181550","2020-10-21","18:00:00",""
"7118770","11.149","0.001","17.2409","0.0015","11.1991","0.001","90","","116.772","0.004","90","","1921.9","0.3","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","GA104","","- C37 H64 N5 O6 -","- C37 H63 N5 O6 -","- C74 H126 N10 O12 -","2","1","","Angelici, G.; Bhattacharjee, N.; Roy, O.; Faure, S.; Didierjean, C.; Jouffret, L.; Jolibois, F.; Perrin, L.; Taillefumier, C.","Weak backbone CHO[double bond, length as m-dash]C and side chain tButBu London interactions help promote helix folding of achiral NtBu peptoids.","Chemical communications (Cambridge, England)","2016","52","24","4573","4576","10.1039/c6cc00375c","","","0.71073","MoKα","","0.0532","0.0461","","","0.123","0.1291","","","","","","1.057","","","","has coordinates","181550","2020-10-21","18:00:00",""
"7118771","5.1957","0.0002","24.5851","0.0011","16.0276","0.0007","90","","93.625","0.004","90","","2043.22","0.15","120","2","120","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C23 H26 N2 O3 -","- C23 H26 N2 O3 -","- C92 H104 N8 O12 -","4","1","","Smith, Joshua J.; Best, Daniel; Lam, Hon Wai","Copper-catalyzed borylative coupling of vinylazaarenes and N-Boc imines.","Chemical communications (Cambridge, England)","2016","52","19","3770","3772","10.1039/c6cc00603e","","x-ray","1.54184","CuKα","","0.0981","0.0749","","","0.1999","0.2229","","","","","","1.054","","","","has coordinates","177701","2020-10-21","18:00:00",""
"7118772","5.28349","0.00011","9.9736","0.0002","36.4673","0.0006","90","","92.3374","0.0019","90","","1920.06","0.06","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C21 H24 N2 O3 S -","- C21 H24 N2 O3 S -","- C84 H96 N8 O12 S4 -","4","1","","Smith, Joshua J.; Best, Daniel; Lam, Hon Wai","Copper-catalyzed borylative coupling of vinylazaarenes and N-Boc imines.","Chemical communications (Cambridge, England)","2016","52","19","3770","3772","10.1039/c6cc00603e","","x-ray","1.54184","CuKα","","0.0456","0.0412","","","0.1052","0.1088","","","","","","1.027","","","","has coordinates","177701","2020-10-21","18:00:00",""
"7118773","11.899","0.002","13.11","0.003","18.036","0.004","73.51","0.03","89.05","0.03","64.38","0.03","2414.2","1.2","113","2","113","2","","","","","","","","4","P -1","-P 1","2","","","","- C28 H19 B N -","- C28 H19 B N -","- C112 H76 B4 N4 -","4","2","","Huang, Huanan; Pan, Zexiong; Cui, Chunming","The synthesis of BN-embedded tetraphenes and their photophysical properties.","Chemical communications (Cambridge, England)","2016","52","22","4227","4230","10.1039/c6cc00161k","","","0.71073","MoKα","","0.1141","0.0693","","","0.1921","0.2158","","","","","","0.952","","","","has coordinates","181532","2020-10-21","18:00:00",""
"7118774","9.942","0.002","16.9","0.004","18.738","0.004","105.481","0.006","92.118","0.004","92.215","0.005","3028.2","1.1","113","2","113","2","","","","","","","","4","P -1","-P 1","2","","","","- C36 H24 B N -","- C36 H24 B N -","- C144 H96 B4 N4 -","4","2","","Huang, Huanan; Pan, Zexiong; Cui, Chunming","The synthesis of BN-embedded tetraphenes and their photophysical properties.","Chemical communications (Cambridge, England)","2016","52","22","4227","4230","10.1039/c6cc00161k","","","0.71073","MoKα","","0.145","0.0769","","","0.1833","0.209","","","","","","1.06","","","","has coordinates","181532","2020-10-21","18:00:00",""
"7118775","37.4027","0.0012","7.01569","0.00012","6.36593","0.0001","90","","90","","90","","1670.46","0.07","293","","293","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","(AuSPhCO2Me)n","","- C8 H7 Au O2 S -","- C8 H4 Au O2 S -","- C64 H32 Au8 O16 S8 -","8","1","","Lavenn, Christophe; Guillou, Nathalie; Monge, Miguel; Podbevšek, Darjan; Ledoux, Gilles; Fateeva, Alexandra; Demessence, Aude","Shedding light on an ultra-bright photoluminescent lamellar gold thiolate coordination polymer [Au(p-SPhCO2Me)]n.","Chemical communications (Cambridge, England)","2016","52","58","9063","9066","10.1039/c5cc10448c","powder diffraction","","1.5406","CuKa1radiation","","","","","","","","","0.038","6.41","","","","","","","has coordinates","185098","2020-10-21","18:00:00",""
"7118776","5.9165","0.0004","7.6653","0.0005","17.819","0.001","79.997","0.005","85.946","0.005","75.915","0.006","771.57","0.09","150","","150","","","","","","","","","4","P -1","-P 1","2","","(SPhCO2Me)2","","- C16 H14 O4 S2 -","- C16 H14 O4 S2 -","- C32 H28 O8 S4 -","2","1","","Lavenn, Christophe; Guillou, Nathalie; Monge, Miguel; Podbevšek, Darjan; Ledoux, Gilles; Fateeva, Alexandra; Demessence, Aude","Shedding light on an ultra-bright photoluminescent lamellar gold thiolate coordination polymer [Au(p-SPhCO2Me)]n.","Chemical communications (Cambridge, England)","2016","52","58","9063","9066","10.1039/c5cc10448c","","","1.5418","CuKα","","0.04","0.0351","","0.0633","0.0605","0.0633","","","","","","0.9835","","","","has coordinates","185098","2020-10-21","18:00:00",""
"7118777","6.582","0.004","10.854","0.006","15.521","0.008","90","","94.787","0.005","90","","1105","1.1","100","","100","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C22 H34 N2 O7 -","- C22 H34 N2 O7 -","- C44 H68 N4 O14 -","2","1","","Wang, Siyuan; Taniguchi, Tohru; Monde, Kenji; Kawahata, Masatoshi; Yamaguchi, Kentaro; Otani, Yuko; Ohwada, Tomohiko","Hydrogen bonding to carbonyl oxygen of nitrogen-pyramidalized amide - detection of pyramidalization direction preference by vibrational circular dichroism spectroscopy.","Chemical communications (Cambridge, England)","2016","52","21","4018","4021","10.1039/c6cc00284f","","","0.71073","MoKα","","0.0297","0.0267","","","0.0715","0.0811","","","","","","1.154","","","","has coordinates","177681","2020-10-21","18:00:00",""
"7118778","12.4687","0.0013","15.731","0.0016","17.5343","0.0019","67.02","0.004","80.866","0.005","70.636","0.004","2985.5","0.6","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C63 H66 B N2 O3 P2 Ru -","- C63 H66 B N2 O3 P2 Ru -","- C126 H132 B2 N4 O6 P4 Ru2 -","2","1","","Janes, Trevor; Osten, Kimberly M.; Pantaleo, Adam; Yan, Ellen; Yang, Yanxin; Song, Datong","Insertion of CO2 into the carbon-boron bond of a boronic ester ligand.","Chemical communications (Cambridge, England)","2016","52","22","4148","4151","10.1039/c6cc01257d","","","0.71073","MoKα","","0.1001","0.0506","","","0.1013","0.1129","","","","","","0.953","","","","has coordinates","181531","2020-10-21","18:00:00",""
"7118779","10.4711","0.0004","10.4711","0.0004","44.073","0.004","90","","90","","90","","4832.3","0.5","150","2","150","2","","","","","","","","7","P 41","P 4w","76","","","","- C55 H49 B N2 O5 P2 Ru -","- C55 H49 B N2 O5 P2 Ru -","- C220 H196 B4 N8 O20 P8 Ru4 -","4","1","","Janes, Trevor; Osten, Kimberly M.; Pantaleo, Adam; Yan, Ellen; Yang, Yanxin; Song, Datong","Insertion of CO2 into the carbon-boron bond of a boronic ester ligand.","Chemical communications (Cambridge, England)","2016","52","22","4148","4151","10.1039/c6cc01257d","","","0.71073","MoKα","","0.1088","0.078","","","0.1662","0.1791","","","","","","1.072","","","","has coordinates,has disorder","181531","2020-10-21","18:00:00",""
"7118780","14.4273","0.0007","14.5211","0.001","21.5927","0.0015","100.551","0.002","91.968","0.002","102.418","0.002","4330.3","0.5","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C40 H47 B N4 O2 Zn -","- C40 H47 B N4 O2 Zn -","- C160 H188 B4 N16 O8 Zn4 -","4","2","","Janes, Trevor; Osten, Kimberly M.; Pantaleo, Adam; Yan, Ellen; Yang, Yanxin; Song, Datong","Insertion of CO2 into the carbon-boron bond of a boronic ester ligand.","Chemical communications (Cambridge, England)","2016","52","22","4148","4151","10.1039/c6cc01257d","","","0.71073","MoKα","","0.1285","0.0554","","","0.1088","0.125","","","","","","0.883","","","","has coordinates,has disorder","181531","2020-10-21","18:00:00",""
"7118781","15.0418","0.0007","21.3952","0.0011","28.2235","0.0014","90","","90","","90","","9083","0.8","150","2","150","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C41 H47 B N4 O4 Zn -","- C41 H47 B N4 O4 Zn -","- C328 H376 B8 N32 O32 Zn8 -","8","1","","Janes, Trevor; Osten, Kimberly M.; Pantaleo, Adam; Yan, Ellen; Yang, Yanxin; Song, Datong","Insertion of CO2 into the carbon-boron bond of a boronic ester ligand.","Chemical communications (Cambridge, England)","2016","52","22","4148","4151","10.1039/c6cc01257d","","","0.71073","MoKα","","0.145","0.0737","","","0.1949","0.2156","","","","","","0.984","","","","has coordinates,has disorder","181531","2020-10-21","18:00:00",""
"7118782","21.309","0.0019","10.0652","0.0009","29.168","0.003","90","","108.052","0.004","90","","5948","1","150","2","150","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C34 H36 N4 Zn -","- C34 H36 N4 Zn -","- C272 H288 N32 Zn8 -","8","1","","Janes, Trevor; Osten, Kimberly M.; Pantaleo, Adam; Yan, Ellen; Yang, Yanxin; Song, Datong","Insertion of CO2 into the carbon-boron bond of a boronic ester ligand.","Chemical communications (Cambridge, England)","2016","52","22","4148","4151","10.1039/c6cc01257d","","","0.71073","MoKα","","0.0821","0.0434","","","0.0882","0.099","","","","","","1.002","","","","has coordinates","181531","2020-10-21","18:00:00",""
"7118783","13.97","0.006","25.545","0.01","8.975","0.004","90","","97.362","0.005","90","","3176","2","108","","108","","","","","","","","","5","C 1 c 1","C -2yc","9","","1_Pen","","- C30 H50 O4 Rh2 S2 -","- C30 H50 O4 Rh2 S2 -","- C120 H200 O16 Rh8 S8 -","4","1","","Nakai, Hidetaka; Matsuba, Kengo; Akimoto, Masataka; Nozaki, Tomonori; Matsumoto, Takahiro; Isobe, Kiyoshi; Irie, Masahiro; Ogo, Seiji","Photoinduced bending of rod-like millimetre-size crystals of a rhodium dithionite complex with n-pentyl moieties.","Chemical communications (Cambridge, England)","2016","52","23","4349","4352","10.1039/c6cc00059b","","","0.71075","MoKα","","0.0338","0.0311","","","0.0649","0.0664","","","","","","1.061","","","","has coordinates","181574","2020-10-21","18:00:00",""
"7118784","13.333","0.012","5.705","0.005","13.908","0.012","90","","91.316","0.008","90","","1057.6","1.6","273","","293","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2,6-ditosyl-1,5,2,6-dithiadiazocane","","- C9 H11 N O2 S2 -","- C9 H11 N O2 S2 -","- C36 H44 N4 O8 S8 -","4","1","","Javorskis, Tomas; Bagdžiūnas, Gintautas; Orentas, Edvinas","N-Tosyl-1,5,2,6-dithiadiazocane: a waste-free electrophilic sulfur reagent for the efficient synthesis of medium-ring S,N-heterocycles.","Chemical communications (Cambridge, England)","2016","52","23","4325","4328","10.1039/c6cc01068g","","","0.71075","MoKα","","","0.1423","","","","0.3845","","","","","","1.132","","","","has coordinates","181576","2020-10-21","18:00:00",""
"7118785","9.92","0.008","17.616","0.012","10.628","0.008","90","","111.511","0.009","90","","1728","2","293","","293","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","1-tosyl-2,3-dihydro-1H-naphtho[2,1-b][1,4]thiazine","","- C19 H17 N O2 S2 -","- C19 H17 N O2 S2 -","- C76 H68 N4 O8 S8 -","4","1","","Javorskis, Tomas; Bagdžiūnas, Gintautas; Orentas, Edvinas","N-Tosyl-1,5,2,6-dithiadiazocane: a waste-free electrophilic sulfur reagent for the efficient synthesis of medium-ring S,N-heterocycles.","Chemical communications (Cambridge, England)","2016","52","23","4325","4328","10.1039/c6cc01068g","","","0.71075","MoKα","","","0.0466","","","","0.1371","","","","","","1.063","","","","has coordinates","181576","2020-10-21","18:00:00",""
"7118786","19.1433","0.0003","20.6439","0.0004","27.4002","0.0005","77.864","0.005","80.791","0.006","66.5","0.005","9673.2","0.5","80","2","80","2","","","","","","","","6","P -1","-P 1","2","","","","- C279 H156 Co18 N124 O83 W12 -","- C279 H156 Co18 N124 O83 W12 -","- C279 H156 Co18 N124 O83 W12 -","1","0.5","","Chorazy, Szymon; Rams, Michał; Hoczek, Anna; Czarnecki, Bernard; Sieklucka, Barbara; Ohkoshi, Shin-Ichi; Podgajny, Robert","Structural anisotropy of cyanido-bridged {CoW} single-molecule magnets induced by bidentate ligands: towards the rational enhancement of an energy barrier.","Chemical communications (Cambridge, England)","2016","52","26","4772","4775","10.1039/c5cc10371a","","x-ray","0.71075","MoKα","","0.1138","0.0953","","","0.1788","0.1852","","","","","","1.268","","","","has coordinates,has disorder","181538","2020-10-21","18:00:00",""
"7118787","17.367","0.003","17.367","0.003","13.73","0.003","90","","90","","90","","4141.1","1.4","293","2","293","2","","","","","","","","5","P -4 21 c","P -4 2n","114","","","","- C68 H86 N12 O17 Ti4 -","- C68 H28 N12 O17 Ti4 -","- C136 H56 N24 O34 Ti8 -","2","0.25","","Su, Hu-Chao; Wu, Yin-Yin; Hou, Jin-Le; Zhang, Guang-Ling; Zhu, Qin-Yu; Dai, Jie","Dye molecule bonded titanium alkoxide: a possible new type of dye for sensitized solar cells.","Chemical communications (Cambridge, England)","2016","52","21","4072","4075","10.1039/c6cc00551a","","","0.71073","MoKα","","0.094","0.0807","","","0.1827","0.1887","","","","","","1.141","","","","has coordinates,has disorder","177684","2020-10-21","18:00:00",""
"7118788","23.2328","0.0016","9.5152","0.0006","20.7638","0.0014","90","","112.516","0.003","90","","4240.2","0.5","123","","123","","","","","","","","see text","5","C 1 2/c 1","-C 2yc","15","","","","- C28 H35 F24 N13 P4 -","- C28 H35 F24 N13 P4 -","- C112 H140 F96 N52 P16 -","4","0.5","","Altmann, Philipp J.; Pöthig, Alexander","Capsoplexes: encapsulating complexes via guest recognition.","Chemical communications (Cambridge, England)","2016","52","58","9089","9092","10.1039/c6cc00507a","","x-ray","0.71073","MoKα","","0.0479","0.0406","","","0.1081","0.1154","","","","","","1.044","","","","has coordinates","211179","2020-10-21","18:00:00",""
"7118789","15.613","0.003","13.757","0.002","16.854","0.003","90","","96.309","0.009","90","","3598.1","1.1","100","","100","","","","","","","","see text","6","P 1 21/c 1","-P 2ybc","14","","","","- C28 H29 F12 N13 Ni2 P2 -","- C28 H29 F12 N13 Ni2 P2 -","- C112 H116 F48 N52 Ni8 P8 -","4","1","","Altmann, Philipp J.; Pöthig, Alexander","Capsoplexes: encapsulating complexes via guest recognition.","Chemical communications (Cambridge, England)","2016","52","58","9089","9092","10.1039/c6cc00507a","","x-ray","0.71073","MoKα","","0.0542","0.043","","","0.1108","0.1176","","","","","","1.072","","","","has coordinates,has disorder","211179","2020-10-21","18:00:00",""
"7118790","15.985","0.002","30.833","0.004","15.2616","0.0018","90","","93.494","0.008","90","","7507.9","1.6","100","","100","","","","","","","","see text","7","C 1 2/c 1","-C 2yc","15","","","","- C60 H64 Br F18 N28 Ni4 P3 -","- C60 H64 Br F18 N28 Ni4 P3 -","- C240 H256 Br4 F72 N112 Ni16 P12 -","4","0.5","","Altmann, Philipp J.; Pöthig, Alexander","Capsoplexes: encapsulating complexes via guest recognition.","Chemical communications (Cambridge, England)","2016","52","58","9089","9092","10.1039/c6cc00507a","","x-ray","0.71073","MoKα","","0.0625","0.0443","","","0.1099","0.1191","","","","","","1.106","","","","has coordinates,has disorder","211179","2020-10-21","18:00:00",""
"7118791","16.233","0.003","31.342","0.005","15.432","0.002","90","","95.632","0.01","90","","7814","2","100","","100","","","","","","","","see text","8","C 1 2/c 1","-C 2yc","15","","","","- C64 H80 Cl F18 N28 Ni4 O4 P3 -","- C64 H80 Cl F18 N28 Ni4 O4 P3 -","- C256 H320 Cl4 F72 N112 Ni16 O16 P12 -","4","0.5","","Altmann, Philipp J.; Pöthig, Alexander","Capsoplexes: encapsulating complexes via guest recognition.","Chemical communications (Cambridge, England)","2016","52","58","9089","9092","10.1039/c6cc00507a","","x-ray","0.71073","MoKα","","0.0898","0.0453","","","0.0849","0.0984","","","","","","1.01","","","","has coordinates,has disorder","211179","2020-10-21","18:00:00",""
"7118792","33.231","0.003","33.231","0.003","28.78","0.002","90","","90","","90","","31782","5","100","2","100","2","","","","","","","","5","I 4/m","-I 4","87","","","","- C336 H312 N48 O38 Pd6 -","- C336 H312 N48 O38 Pd6 -","- C672 H624 N96 O76 Pd12 -","2","0.125","","Roy, Bijan; Zangrando, Ennio; Mukherjee, Partha Sarathi","Self-assembly of a redox active water soluble Pd6L8 'molecular dice'.","Chemical communications (Cambridge, England)","2016","52","24","4489","4492","10.1039/c6cc00042h","","","0.77","synchrotron","","0.0973","0.08","","","0.2384","0.2563","","","","","","1.104","","","","has coordinates","181551","2020-10-21","18:00:00",""
"7118793","19.4538","0.0005","32.5779","0.0007","22.6155","0.0006","90","","103.876","0.002","90","","13914.6","0.6","100.01","0.1","100.01","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C33 H26.5 Cu4 I4 N9 O3 -","- C33 H26.5 Cu4 I4 N9 O3 -","- C264 H212 Cu32 I32 N72 O24 -","8","2","","Zhao, Chao-Wei; Ma, Jian-Ping; Liu, Qi-Kui; Wang, Xue-Ru; Liu, Yi; Yang, Jing; Yang, Jia-Shi; Dong, Yu-Bin","An in situ self-assembled Cu4I4-MOF-based mixed matrix membrane: a highly sensitive and selective naked-eye sensor for gaseous HCl.","Chemical communications (Cambridge, England)","2016","52","30","5238","5241","10.1039/c6cc00189k","","x-ray","1.54184","CuKα","","0.1099","0.0946","","","0.2549","0.2755","","","","","","1.034","","","","has coordinates","182600","2020-10-21","18:00:00",""
"7118794","13.3756","0.0019","14.865","0.002","24.544","0.003","90","","91.671","0.003","90","","4878","1.1","115","","115","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C54 H54 B2 F4 N8 O5 -","- C54 H54 B2 F4 N8 O5 -","- C216 H216 B8 F16 N32 O20 -","4","1","","Doulain, Pierre-Emmanuel; Goze, Christine; Bodio, Ewen; Richard, Philippe; Decréau, Richard A","BODIPY atropisomer interconversion, face discrimination, and superstructure appending.","Chemical communications (Cambridge, England)","2016","52","24","4474","4477","10.1039/c5cc10526a","","x-ray","0.71073","MoKα","","0.1503","0.0533","","","0.1015","0.1349","","","","","","0.983","","","","has coordinates,has disorder","181546","2020-10-21","18:00:00",""
"7118795","29.0096","0.0005","19.0252","0.0003","24.8069","0.0004","90","","111.599","0.001","90","","12729.9","0.4","200","2","200","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C123 H116 B4 F16 Ir2 N22 O7 Zn3 -","- C123 H114 B4 F16 Ir2 N22 O7.01 Zn3 -","- C492 H456 B16 F64 Ir8 N88 O28.04 Zn12 -","4","1","","Li, Xuezhao; Wu, Jinguo; He, Cheng; Zhang, Rong; Duan, Chunying","Multicomponent self-assembly of a pentanuclear Ir-Zn heterometal-organic polyhedron for carbon dioxide fixation and sulfite sequestration.","Chemical communications (Cambridge, England)","2016","52","29","5104","5107","10.1039/c6cc00064a","","","0.71073","MoKα","","0.099","0.052","","","0.1435","0.1648","","","","","","1.026","","","","has coordinates,has disorder","181560","2020-10-21","18:00:00",""
"7118796","29.505","0.0011","19.1096","0.0005","24.976","0.0008","90","","112.295","0.002","90","","13029.4","0.7","200","2","200","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","Ir-Zn1","","- C116 H98 B4 F17 Ir2 N25 O3 Zn3 -","- C116.02 H93.03 B4 F17 Ir2 N25.01 O3 Zn3 -","- C464.08 H372.12 B16 F68 Ir8 N100.04 O12 Zn12 -","4","1","","Li, Xuezhao; Wu, Jinguo; He, Cheng; Zhang, Rong; Duan, Chunying","Multicomponent self-assembly of a pentanuclear Ir-Zn heterometal-organic polyhedron for carbon dioxide fixation and sulfite sequestration.","Chemical communications (Cambridge, England)","2016","52","29","5104","5107","10.1039/c6cc00064a","","","0.71073","MoKα","","0.1303","0.0749","","","0.2126","0.2446","","","","","","1.021","","","","has coordinates,has disorder","181560","2020-10-21","18:00:00",""
"7118797","29.347","0.003","18.8722","0.0016","25.16","0.002","90","","112.374","0.005","90","","12886","2","200","2","200","2","","","","","","","","9","P 1 21/c 1","-P 2ybc","14","","Ir-Zn3","","- C118 H104 B4 F16 Ir2 N24 O6 S Zn3 -","- C118 H100 B4 F16 Ir2 N24 O6 S Zn3 -","- C472 H400 B16 F64 Ir8 N96 O24 S4 Zn12 -","4","1","","Li, Xuezhao; Wu, Jinguo; He, Cheng; Zhang, Rong; Duan, Chunying","Multicomponent self-assembly of a pentanuclear Ir-Zn heterometal-organic polyhedron for carbon dioxide fixation and sulfite sequestration.","Chemical communications (Cambridge, England)","2016","52","29","5104","5107","10.1039/c6cc00064a","","","0.71073","MoKα","","0.1414","0.0737","","","0.1797","0.203","","","","","","1.012","","","","has coordinates,has disorder","181560","2020-10-21","18:00:00",""
"7118798","11.7938","0.0002","13.6822","0.0002","20.7195","0.0014","76.314","0.005","74.412","0.005","83.443","0.006","3124.4","0.2","293","2","293.15","","","","","","","","","7","P -1","-P 1","2","","","","- C45 H48 Au3 F18 N12 O P3 -","- C45 H48 Au3 F18 N12 O P3 -","- C90 H96 Au6 F36 N24 O2 P6 -","2","1","","Xiao, Xin-Shan; Zou, Chao; Guan, Xiangguo; Yang, Chen; Lu, Wei; Che, Chi-Ming","Homoleptic gold(i) N-heterocyclic allenylidene complexes: excited-state properties and lyotropic chromonics.","Chemical communications (Cambridge, England)","2016","52","28","4983","4986","10.1039/c5cc09571a","","","1.54187","CuKα","","0.059","0.05","","","0.1283","0.1467","","","","","","1.058","","","","has coordinates","181568","2020-10-21","18:00:00",""
"7118799","7.3239","0.0001","13.6625","0.0003","21.1998","0.0015","90","","90","","90","","2121.31","0.16","295","","295","","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C16 H20 Au F6 N2 O2 P -","- C16 H22 Au F6 N2 O2 P -","- C64 H88 Au4 F24 N8 O8 P4 -","4","1","","Xiao, Xin-Shan; Zou, Chao; Guan, Xiangguo; Yang, Chen; Lu, Wei; Che, Chi-Ming","Homoleptic gold(i) N-heterocyclic allenylidene complexes: excited-state properties and lyotropic chromonics.","Chemical communications (Cambridge, England)","2016","52","28","4983","4986","10.1039/c5cc09571a","","","1.54178","CuKα","","0.057","0.0445","","","0.1016","0.1367","","","","","","1.172","","","","has coordinates","181568","2020-10-21","18:00:00",""
"7118800","15.7075","0.0007","6.8525","0.0003","20.3447","0.001","90","","90","","90","","2189.81","0.17","100","","100","","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C20 H21 Au F6 N3 P -","- C20 H21 Au F6 N3 P -","- C80 H84 Au4 F24 N12 P4 -","4","0.5","","Xiao, Xin-Shan; Zou, Chao; Guan, Xiangguo; Yang, Chen; Lu, Wei; Che, Chi-Ming","Homoleptic gold(i) N-heterocyclic allenylidene complexes: excited-state properties and lyotropic chromonics.","Chemical communications (Cambridge, England)","2016","52","28","4983","4986","10.1039/c5cc09571a","","","1.54178","CuKα","","0.056","0.0559","","","0.1323","0.1324","","","","","","1.123","","","","has coordinates,has disorder","181568","2020-10-21","18:00:00",""
"7118801","18.999","0.004","13.938","0.003","18.33","0.004","90","","100.52","0.03","90","","4772.3","1.8","173","2","173","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","Compound S2","","- C45 H44 Cl Ir N4 O S2 -","- C45 H44 Cl Ir N4 O S2 -","- C180 H176 Cl4 Ir4 N16 O4 S8 -","4","1","","Tian, Cheng; Gong, Lei; Meggers, Eric","Chiral-at-metal iridium complex for efficient enantioselective transfer hydrogenation of ketones.","Chemical communications (Cambridge, England)","2016","52","22","4207","4210","10.1039/c6cc00972g","","","0.71073","MoKα","","0.0751","0.0597","","","0.1642","0.1909","","","","","","0.999","","","","has coordinates","181524","2020-10-21","18:00:00",""
"7118802","10.307","0.002","6.9664","0.0013","20.194","0.004","90","","92.558","0.003","90","","1448.5","0.5","90","","90","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","6-methoxy-9-phenyl-3H-xanthen-3-one","","- C20 H14 O3 -","- C20 H14 O3 -","- C80 H56 O12 -","4","1","","Sezukuri, Kyohei; Suzuki, Mitsuharu; Hayashi, Hironobu; Kuzuhara, Daiki; Aratani, Naoki; Yamada, Hiroko","A laterally π-expanded fluorone dye as an efficient near infrared fluorophore.","Chemical communications (Cambridge, England)","2016","52","27","4872","4875","10.1039/c6cc00237d","","","0.71073","MoKα","","0.0931","0.0483","","","0.1064","0.1292","","","","","","1.002","","","","has coordinates","181553","2020-10-21","18:00:00",""
"7118803","6.4553","0.0014","15.35","0.003","15.588","0.003","90","","90","","90","","1544.6","0.5","90","","90","","","","","","","","","4","P n n a","-P 2a 2bc","52","","6-methoxy-9-phenyl-3H-xanthen-3-one, HBr complex","","- C19 H13 Br O3 -","- C19 H13 Br O3 -","- C76 H52 Br4 O12 -","4","0.5","","Sezukuri, Kyohei; Suzuki, Mitsuharu; Hayashi, Hironobu; Kuzuhara, Daiki; Aratani, Naoki; Yamada, Hiroko","A laterally π-expanded fluorone dye as an efficient near infrared fluorophore.","Chemical communications (Cambridge, England)","2016","52","27","4872","4875","10.1039/c6cc00237d","","","0.71073","MoKα","","0.045","0.0279","","","0.07","0.0791","","","","","","1.05","","","","has coordinates","181553","2020-10-21","18:00:00",""
"7118804","22.6443","0.0006","6.8474","0.0002","30.763","0.0008","90","","100.073","0.007","90","","4696.4","0.2","103","2","103","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","13-(2,6-difluorophenyl)-9-methoxy-3H-dibenzo[b,i]xanthen-3-one","","- C29 H18 Cl2 F2 O3 -","- C29 H18 Cl2 F2 O3 -","- C232 H144 Cl16 F16 O24 -","8","1","","Sezukuri, Kyohei; Suzuki, Mitsuharu; Hayashi, Hironobu; Kuzuhara, Daiki; Aratani, Naoki; Yamada, Hiroko","A laterally π-expanded fluorone dye as an efficient near infrared fluorophore.","Chemical communications (Cambridge, England)","2016","52","27","4872","4875","10.1039/c6cc00237d","","","0.71075","MoKα","","0.0894","0.0628","","","0.1588","0.1747","","","","","","1.046","","","","has coordinates,has disorder","181553","2020-10-21","18:00:00",""
"7118805","13.0764","0.0003","6.7268","0.0001","26.5912","0.0018","90","","99.083","0.007","90","","2309.69","0.17","85","2","85","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","Phenobarbital","","","- C12 H12 N2 O3 -","- C12 H12 N2 O3 -","- C96 H96 N16 O24 -","8","2","","Roy, Saikat; Goud, N. Rajesh; Matzger, Adam J.","Polymorphism in phenobarbital: discovery of a new polymorph and crystal structure of elusive form V.","Chemical communications (Cambridge, England)","2016","52","23","4389","4392","10.1039/c6cc00959j","","","1.54187","CuKα","","0.1093","0.0876","","","0.2194","0.2379","","","","","","1.401","","","","has coordinates","181575","2020-10-21","18:00:00",""
"7118806","14.5744","0.0004","6.88","0.00019","22.9964","0.0016","90","","93.987","0.007","90","","2300.31","0.18","95","2","95","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","Phenobarbital","","","- C12 H12 N2 O3 -","- C12 H12 N2 O3 -","- C96 H96 N16 O24 -","8","2","","Roy, Saikat; Goud, N. Rajesh; Matzger, Adam J.","Polymorphism in phenobarbital: discovery of a new polymorph and crystal structure of elusive form V.","Chemical communications (Cambridge, England)","2016","52","23","4389","4392","10.1039/c6cc00959j","","","1.54187","CuKα","","0.1831","0.0818","","","0.157","0.2328","","","","","","1.171","","","","has coordinates","181575","2020-10-21","18:00:00",""
"7118807","9.09127","0.00013","10.54359","0.00015","30.6974","0.0005","90","","90","","90","","2942.49","0.08","293","2","293.15","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C30 H34 N2 O9 -","- C30 H34 N2 O9 -","- C120 H136 N8 O36 -","4","1","","Yu, Kuan; Gao, Beiling; Liu, Zhaobo; Ding, Hanfeng","Enantioselective total synthesis and structural reassignment of (+)-alsmaphorazine E via a traceless chirality transfer strategy.","Chemical communications (Cambridge, England)","2016","52","24","4485","4488","10.1039/c6cc00930a","","","1.54184","CuKα","","0.0357","0.0318","","","0.0773","0.0803","","","","","","1.046","","","","has coordinates","181552","2020-10-21","18:00:00",""
"7118808","7.323","0.0004","9.703","0.0006","13.3813","0.0008","90","","93.357","0.006","90","","949.18","0.1","169.6","","169.6","","","","","","","","","4","P 1 n 1","P -2yac","7","","C19-epi-ent-3","","- C21 H26 N2 O6 -","- C21 H26 N2 O6 -","- C42 H52 N4 O12 -","2","1","","Yu, Kuan; Gao, Beiling; Liu, Zhaobo; Ding, Hanfeng","Enantioselective total synthesis and structural reassignment of (+)-alsmaphorazine E via a traceless chirality transfer strategy.","Chemical communications (Cambridge, England)","2016","52","24","4485","4488","10.1039/c6cc00930a","","","0.71073","MoKα","","0.0442","0.039","","","0.0923","0.0968","","","","","","1.066","","","","has coordinates","181552","2020-10-21","18:00:00",""
"7118809","10.6315","0.0018","25.473","0.004","14.959","0.003","90","","90.028","0.003","90","","4051.1","1.2","123","2","123","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C36 H40 Br2 Cl6 Fe N2 P2 -","- C36 H40 Br2 Cl6 Fe N2 P2 -","- C144 H160 Br8 Cl24 Fe4 N8 P8 -","4","1","","Ghosh, Chandrani; Groy, Thomas L.; Bowman, Amanda C.; Trovitch, Ryan J.","Two-step C-H, C-P bond activation at an α-diimine iron dinitrogen complex.","Chemical communications (Cambridge, England)","2016","52","24","4553","4556","10.1039/c5cc09167e","","","0.71073","MoKα","","0.0382","0.0331","","","0.0817","0.084","","","","","","1.031","","","","has coordinates","181548","2020-10-21","18:00:00",""
"7118810","9.2948","0.0005","12.9539","0.0007","13.7381","0.0007","79.3091","0.0008","77.1334","0.0009","72.6186","0.0008","1526.31","0.14","123","2","123","2","","","","","","","","5","P -1","-P 1","2","","","","- C34 H38 Fe N4 P2 -","- C34 H38 Fe N4 P2 -","- C68 H76 Fe2 N8 P4 -","2","1","","Ghosh, Chandrani; Groy, Thomas L.; Bowman, Amanda C.; Trovitch, Ryan J.","Two-step C-H, C-P bond activation at an α-diimine iron dinitrogen complex.","Chemical communications (Cambridge, England)","2016","52","24","4553","4556","10.1039/c5cc09167e","","","0.71073","MoKα","","0.0511","0.0373","","","0.0861","0.0925","","","","","","1.021","","","","has coordinates","181548","2020-10-21","18:00:00",""
"7118811","13.1669","0.0006","21.8049","0.0009","22.842","0.001","109.42","0.0007","104.575","0.0007","105.963","0.0007","5504.3","0.4","123","2","123","2","","","","","","","","5","P -1","-P 1","2","Ghosh_CG_002_141","","","- C61.84 H70.97 Fe2 N4 P4 -","- C61.838 H70.972 Fe2 N4 P4 -","- C247.352 H283.888 Fe8 N16 P16 -","4","2","","Ghosh, Chandrani; Groy, Thomas L.; Bowman, Amanda C.; Trovitch, Ryan J.","Two-step C-H, C-P bond activation at an α-diimine iron dinitrogen complex.","Chemical communications (Cambridge, England)","2016","52","24","4553","4556","10.1039/c5cc09167e","","","0.71073","MoKα","","0.0779","0.0448","","","0.0874","0.0977","","","","","","1.018","","","","has coordinates,has disorder","181548","2020-10-21","18:00:00",""
"7118812","18.281","0.003","7.3569","0.0012","19.925","0.004","90","","104.092","0.012","90","","2599.1","0.8","295","2","295","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C16 H19 Br -","- C16 H19 Br -","- C128 H152 Br8 -","8","1","","Su, Xiang; Sun, Yihua; Yao, Jiannian; Chen, Hui; Chen, Chao","Acid-promoted bicyclization of arylacetylenes to benzobicyclo[3.2.1]octanes through cationic rearrangements.","Chemical communications (Cambridge, England)","2016","52","24","4537","4540","10.1039/c6cc00452k","","","0.71073","MoKα","","0.0697","0.0434","","","0.0876","0.0995","","","","","","1.279","","","","has coordinates","181549","2020-10-21","18:00:00",""
"7118813","17.283","0.003","19.422","0.003","15.933","0.003","90","","92.103","0.008","90","","5344.6","1.6","223","2","223","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H42 Fe N P3 -","- C26 H42 Fe N P3 -","- C208 H336 Fe8 N8 P24 -","8","2","","Lindley, Brian M.; Jacobs, Brian P.; MacMillan, Samantha N.; Wolczanski, Peter T.","Neutral Fe(iv) alkylidenes, including some that bind dinitrogen.","Chemical communications (Cambridge, England)","2016","52","20","3891","3894","10.1039/c5cc08825a","","","0.71073","MoKα","","0.0698","0.0468","","","0.1196","0.1331","","","","","","1.04","","","","has coordinates,has disorder","177100","2020-10-21","18:00:00",""
"7118814","10.6131","0.0006","14.2296","0.0009","19.7148","0.0012","90","","97.83","0.003","90","","2949.6","0.3","223","2","223","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C30 H41 Fe N3 P2 -","- C30 H41 Fe N3 P2 -","- C120 H164 Fe4 N12 P8 -","4","1","","Lindley, Brian M.; Jacobs, Brian P.; MacMillan, Samantha N.; Wolczanski, Peter T.","Neutral Fe(iv) alkylidenes, including some that bind dinitrogen.","Chemical communications (Cambridge, England)","2016","52","20","3891","3894","10.1039/c5cc08825a","","","0.71073","MoKα","","0.0571","0.0416","","","0.1076","0.1183","","","","","","1.032","","","","has coordinates","177100","2020-10-21","18:00:00",""
"7118815","20.0634","0.0015","17.3159","0.0012","15.642","0.002","90","","124.211","0.001","90","","4494","0.7","200","2","200","2","","","","","","","","7","C 1 2/m 1","-C 2y","12","","","","- C60 H54 Cl2 Cu4 N12 O35 W10 -","- C60 H48 Cl2 Cu4 N12 O35 W10 -","- C120 H96 Cl4 Cu8 N24 O70 W20 -","2","0.25","","Shi, Dongying; He, Cheng; Sun, Wenlong; Ming, Zheng; Meng, Changgong; Duan, Chunying","A photosensitizing decatungstate-based MOF as heterogeneous photocatalyst for the selective C-H alkylation of aliphatic nitriles.","Chemical communications (Cambridge, England)","2016","52","25","4714","4717","10.1039/c6cc00862c","","","0.71073","MoKα","","0.0683","0.0392","","","0.1038","0.1125","","","","","","1.072","","","","has coordinates","181542","2020-10-21","18:00:00",""
"7118816","20.0299","0.0016","17.2261","0.0014","15.8221","0.0013","90","","125.919","0.001","90","","4421.1","0.6","226","2","226","2","","","","","","","","7","C 1 2/m 1","-C 2y","12","","","","- C63 H53 Cl2 Cu4 N13 O33 W10 -","- C63 H51 Cl2 Cu4 N13 O33 W10 -","- C126 H102 Cl4 Cu8 N26 O66 W20 -","2","0.25","","Shi, Dongying; He, Cheng; Sun, Wenlong; Ming, Zheng; Meng, Changgong; Duan, Chunying","A photosensitizing decatungstate-based MOF as heterogeneous photocatalyst for the selective C-H alkylation of aliphatic nitriles.","Chemical communications (Cambridge, England)","2016","52","25","4714","4717","10.1039/c6cc00862c","","","0.71073","MoKα","","0.064","0.0405","","","0.1134","0.1306","","","","","","1.006","","","","has coordinates,has disorder","181542","2020-10-21","18:00:00",""
"7118817","22.5211","0.0011","12.1599","0.0006","7.8427","0.0004","90","","90","","90","","2147.76","0.19","100","","100","","","","","","","","","5","P n m a","-P 2ac 2n","62","","(Cp*H)Rh(bpy)Cl","","- C21 H26 Cl3 N2 Rh -","- C21 H26 Cl3 N2 Rh -","- C84 H104 Cl12 N8 Rh4 -","4","0.5","","Pitman, C. L.; Finster, O. N. L.; Miller, A. J. M.","Cyclopentadiene-mediated hydride transfer from rhodium complexes.","Chemical communications (Cambridge, England)","2016","52","58","9105","9108","10.1039/c6cc00575f","","","1.54178","CuKα","","0.0224","0.022","","","0.0549","0.0551","","","","","","1.113","","","","has coordinates,has disorder","185099","2020-10-21","18:00:00",""
"7118818","24.392","0.001","24.392","0.001","4.8236","0.0003","90","","90","","90","","2869.9","0.2","296","2","296","2","","","","","","","","4","I 41/a","-I 4ad","88","","dipyrrolo[1,2-b:1 ,2 -g][2,6]naphthyridine-5,11-dione","","- C18 H16 N2 O2 -","- C18 H16 N2 O2 -","- C144 H128 N16 O16 -","8","","","Grzybowski, Marek; Deperasińska, Irena; Chotkowski, Maciej; Banasiewicz, Marzena; Makarewicz, Artur; Kozankiewicz, Bolesław; Gryko, Daniel T.","Dipyrrolonaphthyridinediones - structurally unique cross-conjugated dyes.","Chemical communications (Cambridge, England)","2016","52","29","5108","5111","10.1039/c6cc01017b","","","1.54178","CuKα","","0.0538","0.0401","","","0.1033","0.1108","","","","","","1.045","","","","has coordinates","181562","2020-10-21","18:00:00",""
"7118819","11.1641","0.0001","16.6308","0.0001","17.5587","0.0001","90","","94.787","0.001","90","","3248.72","0.04","150","2","150","0.1","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C25 H41 Fe N2 O4 P Si3 -","- C25 H41 Fe N2 O4 P Si3 -","- C100 H164 Fe4 N8 O16 P4 Si12 -","4","1","","Breit, Nora C.; Eisenhut, Carsten; Inoue, Shigeyoshi","Phosphinosilylenes as a novel ligand system for heterobimetallic complexes.","Chemical communications (Cambridge, England)","2016","52","32","5523","5526","10.1039/c6cc00601a","","x-ray","1.54184","CuKα","","0.0338","0.0304","","","0.0789","0.081","","","","","","1.029","","","","has coordinates,has disorder","182615","2020-10-21","18:00:00",""
"7118820","25.6547","0.0002","10.4018","0.0001","24.8836","0.0002","90","","91.797","0.001","90","","6637.05","0.1","150","2","150","0.1","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C53 H62 Fe2 N4 O18 P2 Si2 W2 -","- C53 H62 Fe2 N4 O18 P2 Si2 W2 -","- C212 H248 Fe8 N16 O72 P8 Si8 W8 -","4","0.5","","Breit, Nora C.; Eisenhut, Carsten; Inoue, Shigeyoshi","Phosphinosilylenes as a novel ligand system for heterobimetallic complexes.","Chemical communications (Cambridge, England)","2016","52","32","5523","5526","10.1039/c6cc00601a","","x-ray","1.54184","CuKα","","0.0334","0.031","","","0.0803","0.0827","","","","","","1.055","","","","has coordinates,has disorder","182615","2020-10-21","18:00:00",""
"7118821","12.5723","0.0001","13.3184","0.0001","13.6939","0.0001","90","","90","","90","","2292.95","0.03","150","0.1","150","0.1","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C19 H25 Fe N2 O4 P Si -","- C19 H25 Fe N2 O4 P Si -","- C76 H100 Fe4 N8 O16 P4 Si4 -","4","1","","Breit, Nora C.; Eisenhut, Carsten; Inoue, Shigeyoshi","Phosphinosilylenes as a novel ligand system for heterobimetallic complexes.","Chemical communications (Cambridge, England)","2016","52","32","5523","5526","10.1039/c6cc00601a","","x-ray","1.54184","CuKα","","0.0333","0.0301","","","0.0756","0.0774","","","","","","1.041","","","","has coordinates","182615","2020-10-21","18:00:00",""
"7118822","16.0853","0.0015","28.696","0.003","7.0062","0.0006","90","","96.758","0.003","90","","3211.5","0.5","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","[Fe(cinammic hydroxamate)3]","","","- C28.8 H30.2 Fe N3 O7.3 -","- C28.8 H30.2 Fe N3 O7.3 -","- C115.2 H120.8 Fe4 N12 O29.2 -","4","1","","Breit, Nora C.; Eisenhut, Carsten; Inoue, Shigeyoshi","Phosphinosilylenes as a novel ligand system for heterobimetallic complexes.","Chemical communications (Cambridge, England)","2016","52","32","5523","5526","10.1039/c6cc00601a","","","0.71073","MoKα","","0.1101","0.0729","","","0.1747","0.1899","","","","","","1.105","","","","has coordinates,has disorder","182615","2020-10-21","18:00:00",""
"7118823","11.936","0.0008","16.0501","0.0011","16.5597","0.0012","90","","90","","90","","3172.4","0.4","228","2","228","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C26 H44 N5 O7 -","- C26 H44 N5 O7 -","- C104 H176 N20 O28 -","4","1","","Metrano, A. J.; Abascal, N. C.; Mercado, B. Q.; Paulson, E. K.; Miller, S. J.","Structural studies of β-turn-containing peptide catalysts for atroposelective quinazolinone bromination.","Chemical communications (Cambridge, England)","2016","52","26","4816","4819","10.1039/c6cc01428c","","","1.54178","CuKα","","0.0534","0.0504","","","0.1454","0.1513","","","","","","1.023","","","","has coordinates,has disorder","181535","2020-10-21","18:00:00",""
"7118824","11.7899","0.0008","15.9908","0.0011","16.3363","0.0011","90","","90","","90","","3079.9","0.4","93","2","93","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C27 H48 N6 O6 -","- C27 H48 N6 O6 -","- C108 H192 N24 O24 -","4","1","","Metrano, A. J.; Abascal, N. C.; Mercado, B. Q.; Paulson, E. K.; Miller, S. J.","Structural studies of β-turn-containing peptide catalysts for atroposelective quinazolinone bromination.","Chemical communications (Cambridge, England)","2016","52","26","4816","4819","10.1039/c6cc01428c","","","1.54178","CuKα","","0.0307","0.0287","","","0.0784","0.0792","","","","","","1.06","","","","has coordinates","181535","2020-10-21","18:00:00",""
"7118825","15.268","0.0008","11.6042","0.0004","15.6622","0.0008","90","","115.596","0.007","90","","2502.6","0.2","100","0.1","100","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C29 H30 N2 O4 -","- C29 H30 N2 O4 -","- C116 H120 N8 O16 -","4","1","","Li, Zhenghua; Sharma, Nandini; Sharma, Upendra K.; Jacobs, Jeroen; Van Meervelt, Luc; Van der Eycken, Erik V.","Ligand-controlled product selectivity in palladium-catalyzed domino post-Ugi construction of (spiro)polyheterocycles.","Chemical communications (Cambridge, England)","2016","52","32","5516","5519","10.1039/c6cc00784h","","","0.71073","MoKα","","0.0498","0.042","","","0.1005","0.1053","","","","","","1.101","","","","has coordinates","182611","2020-10-21","18:00:00",""
"7118826","9.0977","0.0004","16.6165","0.0007","17.6","0.0008","90","","96.066","0.004","90","","2645.7","0.2","100.01","0.1","100.01","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C31 H32 F N3 O3 -","- C31 H32 F N3 O3 -","- C124 H128 F4 N12 O12 -","4","1","","Li, Zhenghua; Sharma, Nandini; Sharma, Upendra K.; Jacobs, Jeroen; Van Meervelt, Luc; Van der Eycken, Erik V.","Ligand-controlled product selectivity in palladium-catalyzed domino post-Ugi construction of (spiro)polyheterocycles.","Chemical communications (Cambridge, England)","2016","52","32","5516","5519","10.1039/c6cc00784h","","","0.71073","MoKα","","0.0517","0.0427","","","0.1026","0.1079","","","","","","1.066","","","","has coordinates","182611","2020-10-21","18:00:00",""
"7118827","9.0851","0.0003","16.648","0.0005","17.522","0.0005","90","","98.553","0.003","90","","2620.71","0.14","100.01","0.1","100.01","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C31 H32 F N3 O3 -","- C31 H32 F N3 O3 -","- C124 H128 F4 N12 O12 -","4","1","","Li, Zhenghua; Sharma, Nandini; Sharma, Upendra K.; Jacobs, Jeroen; Van Meervelt, Luc; Van der Eycken, Erik V.","Ligand-controlled product selectivity in palladium-catalyzed domino post-Ugi construction of (spiro)polyheterocycles.","Chemical communications (Cambridge, England)","2016","52","32","5516","5519","10.1039/c6cc00784h","","","0.71073","MoKα","","0.0555","0.0479","","","0.1084","0.1124","","","","","","1.13","","","","has coordinates","182611","2020-10-21","18:00:00",""
"7118828","10.23","0.004","4.7903","0.0017","14.674","0.005","90","","108.855","0.008","90","","680.5","0.4","100","2","100","2","","","","","","","","2","P 1 21/n 1","-P 2yn","14","","","","- C18 H18 -","- C18 H18 -","- C36 H36 -","2","0.5","","Lungerich, Dominik; Nizovtsev, Alexey V.; Heinemann, Frank W.; Hampel, Frank; Meyer, Karsten; Majetich, George; Schleyer, Paul V. R.; Jux, Norbert","[18]Annulene put into a new perspective.","Chemical communications (Cambridge, England)","2016","52","25","4710","4713","10.1039/c6cc01309k","","","0.71073","MoKα","","0.061","0.0404","","","0.0881","0.0982","","","","","","1.072","","","","has coordinates,has disorder","181543","2020-10-21","18:00:00",""
"7118829","21.6492","0.0002","21.6492","0.0002","14.6312","0.0002","90","","90","","90","","6857.47","0.13","173.1","0.6","173.1","0.6","","","","","","","","2","I 41/a c d","-I 4bd 2c","142","","","","- C24 H12 -","- C24 H12 -","- C384 H192 -","16","","","Lungerich, Dominik; Nizovtsev, Alexey V.; Heinemann, Frank W.; Hampel, Frank; Meyer, Karsten; Majetich, George; Schleyer, Paul V. R.; Jux, Norbert","[18]Annulene put into a new perspective.","Chemical communications (Cambridge, England)","2016","52","25","4710","4713","10.1039/c6cc01309k","","x-ray","1.54184","CuKα","","0.045","0.0388","","","0.112","0.1203","","","","","","1.068","","","","has coordinates","181543","2020-10-21","18:00:00",""
"7118830","40.6845","0.0016","40.6845","0.0016","34.133","0.003","90","","90","","120","","48929","5","173","2","173","2","","","","","","","","6","P 63","P 6c","173","","","","- C192 H240 B6.25 F25 Fe4 N38 -","- C192 H240 B6.25 F25 Fe4 N36 -","- C1536 H1920 B50 F200 Fe32 N288 -","8","1.33333","","Zhang, Feng-Li; Chen, Jia-Qian; Qin, Long-Fang; Tian, Lei; Li, Zaijun; Ren, Xuehong; Gu, Zhi-Guo","Metal-center exchange of tetrahedral cages: single crystal to single crystal and spin-crossover properties.","Chemical communications (Cambridge, England)","2016","52","26","4796","4799","10.1039/c6cc00711b","","","0.71073","MoKα","","0.1977","0.1209","","","0.302","0.3466","","","","","","1.061","","","","has coordinates","208944","2020-10-21","18:00:00",""
"7118831","23.2474","0.0007","23.2474","0.0007","23.2474","0.0007","90","","90","","90","","12563.9","0.7","173","2","173","2","","","","","","","","6","I 2 3","I 2 2 3","197","","","","- C192 H240 B4 F16 N36 Ni4 -","- C192 H240 B4 F16 N36 Ni1.32 -","- C384 H480 B8 F32 N72 Ni2.64 -","2","0.0833333","","Zhang, Feng-Li; Chen, Jia-Qian; Qin, Long-Fang; Tian, Lei; Li, Zaijun; Ren, Xuehong; Gu, Zhi-Guo","Metal-center exchange of tetrahedral cages: single crystal to single crystal and spin-crossover properties.","Chemical communications (Cambridge, England)","2016","52","26","4796","4799","10.1039/c6cc00711b","","","0.71073","MoKα","","0.1197","0.0702","","","0.1609","0.1812","","","","","","1.015","","","","has coordinates,has disorder","181537","2020-10-21","18:00:00",""
"7118832","23.2506","0.0008","23.2506","0.0008","23.2506","0.0008","90","","90","","90","","12569.1","0.7","173","2","173","2","","","","","","","","7","I 2 3","I 2 2 3","197","","","","- C192 H240 B4 F16 Fe0.8 N36 Ni3.2 -","- C192 H240 B4 F16 Fe0.8 N36 Ni3.2 -","- C384 H480 B8 F32 Fe1.6 N72 Ni6.4 -","2","0.0833333","","Zhang, Feng-Li; Chen, Jia-Qian; Qin, Long-Fang; Tian, Lei; Li, Zaijun; Ren, Xuehong; Gu, Zhi-Guo","Metal-center exchange of tetrahedral cages: single crystal to single crystal and spin-crossover properties.","Chemical communications (Cambridge, England)","2016","52","26","4796","4799","10.1039/c6cc00711b","","","0.71073","MoKα","","0.1429","0.0912","","","0.2277","0.247","","","","","","1.198","","","","has coordinates,has disorder","181537","2020-10-21","18:00:00",""
"7118833","13.9256","0.0009","10.3322","0.0007","17.0868","0.0011","90","","94.647","0.001","90","","2450.4","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(E)-4-(4-methoxyphenyl)-1-(methylsulfonyl)-2-(tosylmethylene)-2,3-dihydro-1H-benzo[b]azepine","","- C26 H25 N O5 S2 -","- C26 H25 N O5 S2 -","- C104 H100 N4 O20 S8 -","4","1","","Undeela, Sridhar; Ravikumar, Gurram; Nanubolu, Jagadeesh Babu; Singarapu, Kiran Kumar; Menon, Rajeev S.","The facile synthesis of 1-benzoazepine derivatives via gold-catalyzed regioselective cycloisomerization reactions of N-(o-alkynylaryl)-N-vinyl sulfonamides.","Chemical communications (Cambridge, England)","2016","52","26","4824","4827","10.1039/c6cc01061j","","","0.71073","MoKα","","0.0529","0.0469","","","0.1193","0.1243","","","","","","1.084","","","","has coordinates","181533","2020-10-21","18:00:00",""
"7118834","9.7246","0.0006","11.0418","0.0006","12.8181","0.0007","70.832","0.001","71.93","0.001","88.331","0.001","1231.88","0.12","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","7-chloro-4-(4-methoxyphenyl)-1-(methylsulfonyl)-2-(tosylmethyl)-1H-benzo[b]azepine","","- C26 H24 Cl N O5 S2 -","- C26 H24 Cl N O5 S2 -","- C52 H48 Cl2 N2 O10 S4 -","2","1","","Undeela, Sridhar; Ravikumar, Gurram; Nanubolu, Jagadeesh Babu; Singarapu, Kiran Kumar; Menon, Rajeev S.","The facile synthesis of 1-benzoazepine derivatives via gold-catalyzed regioselective cycloisomerization reactions of N-(o-alkynylaryl)-N-vinyl sulfonamides.","Chemical communications (Cambridge, England)","2016","52","26","4824","4827","10.1039/c6cc01061j","","","0.71073","MoKα","","0.0463","0.0404","","","0.1035","0.1075","","","","","","1.026","","","","has coordinates","181533","2020-10-21","18:00:00",""
"7118835","23.8009","0.0006","3.8485","0.0001","26.3591","0.0008","90","","113.997","0.0018","90","","2205.75","0.11","90","","90","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","2,5-di(pyren-2-yl)thiophene","BPyT","","- C36 H20 S -","- C36 H20 S -","- C144 H80 S4 -","4","1","","Oniwa, Kazuaki; Kikuchi, Hiromasa; Shimotani, Hidekazu; Ikeda, Susumu; Asao, Naoki; Yamamoto, Yoshinori; Tanigaki, Katsumi; Jin, Tienan","2-Positional pyrene end-capped oligothiophenes for high performance organic field effect transistors.","Chemical communications (Cambridge, England)","2016","52","26","4800","4803","10.1039/c6cc00948d","","","1.54187","CuKα","","0.0564","0.0532","","","0.1465","0.1526","","","","","","1.102","","","","has coordinates","181534","2020-10-21","18:00:00",""
"7118836","22.725","0.007","3.8289","0.0009","15.667","0.005","90","","109.481","0.015","90","","1285.2","0.7","90","","90","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","5,5'-di(pyren-2-yl)-2,2'-bithiophene","BPy2T","","- C40 H22 S2 -","- C40 H22 S2 -","- C80 H44 S4 -","2","0.5","","Oniwa, Kazuaki; Kikuchi, Hiromasa; Shimotani, Hidekazu; Ikeda, Susumu; Asao, Naoki; Yamamoto, Yoshinori; Tanigaki, Katsumi; Jin, Tienan","2-Positional pyrene end-capped oligothiophenes for high performance organic field effect transistors.","Chemical communications (Cambridge, England)","2016","52","26","4800","4803","10.1039/c6cc00948d","","","1.54187","CuKα","","","0.0716","","","","0.2278","","","","","","1.077","","","","has coordinates","181534","2020-10-21","18:00:00",""
"7118837","13.666","0.003","15.154","0.003","15.228","0.003","90","","101.24","0.03","90","","3093.1","1.1","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C15 H9 Dy N2 O6.5 -","- C15 H8 Dy N2 O6.5 -","- C120 H64 Dy8 N16 O52 -","8","1","","Liu, Cai-Ming; Zhang, De-Qing; Zhu, Dao-Ben","A 3D MOF constructed from dysprosium(iii) oxalate and capping ligands: ferromagnetic coupling and field-induced two-step magnetic relaxation.","Chemical communications (Cambridge, England)","2016","52","26","4804","4807","10.1039/c6cc00498a","","","0.71073","MoKα","","0.0337","0.0308","","","0.0638","0.0654","","","","","","1.106","","","","has coordinates","181536","2020-10-21","18:00:00",""
"7118838","6.799","0.003","8.219","0.003","13.376","0.004","82.308","0.009","75.542","0.007","83.754","0.01","715.1","0.5","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","azaheptalene","","- C38 H12 F10 N4 -","- C38 H12 F10 N4 -","- C38 H12 F10 N4 -","1","0.5","","Gadekar, Santosh C.; Reddy, Baddigam K.; Panchal, Santosh P.; Anand, Venkataramanarao G.","Metal assisted cyclomerization of benzodipyrrins into expanded norroles, aza-heptalene and acyclic dimers.","Chemical communications (Cambridge, England)","2016","52","24","4565","4568","10.1039/c5cc10356h","","","0.71073","MoKα","","0.1656","0.1119","","","0.3271","0.3393","","","","","","1.923","","","","has coordinates","181547","2020-10-21","18:00:00",""
"7118839","9.9304","0.0018","12.231","0.002","14.545","0.003","75.314","0.004","82.512","0.004","80.77","0.004","1679.3","0.5","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C41 H22 F10 N4 O -","- C41 H22 F10 N4 O -","- C82 H44 F20 N8 O2 -","2","1","","Gadekar, Santosh C.; Reddy, Baddigam K.; Panchal, Santosh P.; Anand, Venkataramanarao G.","Metal assisted cyclomerization of benzodipyrrins into expanded norroles, aza-heptalene and acyclic dimers.","Chemical communications (Cambridge, England)","2016","52","24","4565","4568","10.1039/c5cc10356h","","","0.71073","MoKα","","0.1342","0.0524","","","0.1091","0.1372","","","","","","0.941","","","","has coordinates","181547","2020-10-21","18:00:00",""
"7118840","10.144","0.002","12.998","0.003","25.579","0.005","90","","96.312","0.004","90","","3352.2","1.2","100","","100","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C46 H18 F10 N4 -","- C46 H18 F10 N4 -","- C184 H72 F40 N16 -","4","1","","Gadekar, Santosh C.; Reddy, Baddigam K.; Panchal, Santosh P.; Anand, Venkataramanarao G.","Metal assisted cyclomerization of benzodipyrrins into expanded norroles, aza-heptalene and acyclic dimers.","Chemical communications (Cambridge, England)","2016","52","24","4565","4568","10.1039/c5cc10356h","","","0.71073","MoKα","","0.1357","0.0586","","","0.1449","0.183","","","","","","0.972","","","","has coordinates","181547","2020-10-21","18:00:00",""
"7118841","12.261","0.006","13.38","0.006","14.218","0.006","77.74","0.009","81.518","0.01","89.721","0.012","2253.5","1.8","100","","100","","","","","","","","","4","P -1","-P 1","2","","","","- C57 H36 N6 O4 -","- C57 H36 N6 O4 -","- C114 H72 N12 O8 -","2","1","","Gadekar, Santosh C.; Reddy, Baddigam K.; Panchal, Santosh P.; Anand, Venkataramanarao G.","Metal assisted cyclomerization of benzodipyrrins into expanded norroles, aza-heptalene and acyclic dimers.","Chemical communications (Cambridge, England)","2016","52","24","4565","4568","10.1039/c5cc10356h","","","0.71073","MoKα","","0.2447","0.1061","","","0.2889","0.3764","","","","","","1","","","","has coordinates","181547","2020-10-21","18:00:00",""
"7118842","8.6387","0.0019","14.094","0.003","42.764","0.01","90","","91.418","0.005","90","","5205","2","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C62 H21 F15 N6 O3 -","- C62 H21 F15 N6 O3 -","- C248 H84 F60 N24 O12 -","4","1","","Gadekar, Santosh C.; Reddy, Baddigam K.; Panchal, Santosh P.; Anand, Venkataramanarao G.","Metal assisted cyclomerization of benzodipyrrins into expanded norroles, aza-heptalene and acyclic dimers.","Chemical communications (Cambridge, England)","2016","52","24","4565","4568","10.1039/c5cc10356h","","","0.71073","MoKα","","0.1785","0.1046","","","0.2612","0.2842","","","","","","1.554","","","","has coordinates","181547","2020-10-21","18:00:00",""
"7118843","14.1965","0.0004","21.9607","0.0007","16.3804","0.0005","90","","111.904","0.0015","90","","4738.2","0.3","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C86 H132 N16 O16 -","- C86 H132 N16 O16 -","- C172 H264 N32 O32 -","2","1","","Bandyopadhyay, Anupam; Misra, Rajkumar; Gopi, Hosahudya N.","Structural features and molecular aggregations of designed triple-stranded β-sheets in single crystals.","Chemical communications (Cambridge, England)","2016","52","27","4938","4941","10.1039/c6cc00127k","","","1.54178","CuKα","","0.0919","0.0719","","","0.1932","0.2196","","","","","","0.824","","","","has coordinates","181555","2020-10-21","18:00:00",""
"7118844","12.367","0.003","13.818","0.003","16.091","0.005","105.224","0.006","97.197","0.006","113.827","0.004","2342.2","1.1","100","2","100","2","","","","","","","","4","P 1","P 1","1","Alpha-gamma hybrid peptide","","","- C79 H134 N16 O16 -","- C79 H134 N16 O16 -","- C79 H134 N16 O16 -","1","1","","Bandyopadhyay, Anupam; Misra, Rajkumar; Gopi, Hosahudya N.","Structural features and molecular aggregations of designed triple-stranded β-sheets in single crystals.","Chemical communications (Cambridge, England)","2016","52","27","4938","4941","10.1039/c6cc00127k","","","0.71073","MoKα","","0.0957","0.064","","","0.1578","0.1734","","","","","","0.993","","","","has coordinates","181555","2020-10-21","18:00:00",""
"7118845","9.024","0.003","15.783","0.008","12.907","0.005","90","","96.65","0.02","90","","1825.9","1.3","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C20 H26 B2 F2 -","- C20 H26 B2 F2 -","- C80 H104 B8 F8 -","4","1","","Arnold, Nicole; Braunschweig, Holger; Damme, Alexander; Dewhurst, Rian D.; Pentecost, Leanne; Radacki, Krzysztof; Stellwag-Konertz, Sascha; Thiess, Torsten; Trumpp, Alexandra; Vargas, Alfredo","New outcomes of Lewis base addition to diboranes(4): electronic effects override strong steric disincentives.","Chemical communications (Cambridge, England)","2016","52","27","4898","4901","10.1039/c6cc01493c","","","0.71073","MoKα","","0.0558","0.041","","","0.1001","0.1082","","","","","","1.043","","","","has coordinates","181556","2020-10-21","18:00:00",""
"7118846","8.463","0.002","14.865","0.0019","32.625","0.011","90","","90","","90","","4104.3","1.8","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C21 H31 B2 F2 P -","- C21 H31 B2 F2 P -","- C168 H248 B16 F16 P8 -","8","1","","Arnold, Nicole; Braunschweig, Holger; Damme, Alexander; Dewhurst, Rian D.; Pentecost, Leanne; Radacki, Krzysztof; Stellwag-Konertz, Sascha; Thiess, Torsten; Trumpp, Alexandra; Vargas, Alfredo","New outcomes of Lewis base addition to diboranes(4): electronic effects override strong steric disincentives.","Chemical communications (Cambridge, England)","2016","52","27","4898","4901","10.1039/c6cc01493c","","","0.71073","MoKα","","0.0594","0.0435","","","0.0991","0.1059","","","","","","1.065","","","","has coordinates,has disorder","181556","2020-10-21","18:00:00",""
"7118847","10.3","0.006","14.375","0.01","15.204","0.009","90","","104.85","0.014","90","","2176","2","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C21 H31 B2 F2 O3 P -","- C21 H31 B2 F2 O3 P -","- C84 H124 B8 F8 O12 P4 -","4","1","","Arnold, Nicole; Braunschweig, Holger; Damme, Alexander; Dewhurst, Rian D.; Pentecost, Leanne; Radacki, Krzysztof; Stellwag-Konertz, Sascha; Thiess, Torsten; Trumpp, Alexandra; Vargas, Alfredo","New outcomes of Lewis base addition to diboranes(4): electronic effects override strong steric disincentives.","Chemical communications (Cambridge, England)","2016","52","27","4898","4901","10.1039/c6cc01493c","","","0.71073","MoKα","","0.0758","0.0545","","","0.1343","0.1455","","","","","","1.059","","","","has coordinates,has disorder","181556","2020-10-21","18:00:00",""
"7118848","11.043","0.002","11.083","0.004","14.473","0.003","92.267","0.009","92.359","0.01","113.535","0.01","1619.6","0.7","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C33 H44 B2 Cl2 F2 N4 -","- C33 H44 B2 Cl2 F2 N4 -","- C66 H88 B4 Cl4 F4 N8 -","2","1","","Arnold, Nicole; Braunschweig, Holger; Damme, Alexander; Dewhurst, Rian D.; Pentecost, Leanne; Radacki, Krzysztof; Stellwag-Konertz, Sascha; Thiess, Torsten; Trumpp, Alexandra; Vargas, Alfredo","New outcomes of Lewis base addition to diboranes(4): electronic effects override strong steric disincentives.","Chemical communications (Cambridge, England)","2016","52","27","4898","4901","10.1039/c6cc01493c","","","0.71073","MoKα","","0.0666","0.0603","","","0.1703","0.1768","","","","","","1.055","","","","has coordinates","206489","2020-10-21","18:00:00",""
"7118849","11.253","0.002","11.41","0.002","14.135","0.003","69.313","0.003","74.449","0.003","84.848","0.004","1635.7","0.5","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C32 H14 B2 Cl2 F15 N O2 -","- C32 H14 B2 Cl2 F15 N O2 -","- C64 H28 B4 Cl4 F30 N2 O4 -","2","1","","Zheng, Junhao; Fan, Xiaoting; Zhou, Benyu; Li, Zhen Hua; Wang, Huadong","Tautomerization of 2,6-lutidines in the presence of B(C6F5)3 using catecholborane as a precatalyst.","Chemical communications (Cambridge, England)","2016","52","25","4655","4658","10.1039/c6cc00347h","","","0.71073","MoKα","","0.1992","0.108","","","0.2991","0.3546","","","","","","1.024","","","","has coordinates,has disorder","181541","2020-10-21","18:00:00",""
"7118850","7.69","0.005","18.994","0.011","15.963","0.01","90","","92.675","0.008","90","","2329","2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C25 H9 B F15 N -","- C25 H9 B F15 N -","- C100 H36 B4 F60 N4 -","4","1","","Zheng, Junhao; Fan, Xiaoting; Zhou, Benyu; Li, Zhen Hua; Wang, Huadong","Tautomerization of 2,6-lutidines in the presence of B(C6F5)3 using catecholborane as a precatalyst.","Chemical communications (Cambridge, England)","2016","52","25","4655","4658","10.1039/c6cc00347h","","","0.71073","MoKα","","0.0781","0.0444","","","0.1081","0.1219","","","","","","0.961","","","","has coordinates","181541","2020-10-21","18:00:00",""
"7118851","11.3397","0.0013","20.295","0.002","13.45","0.0016","90","","114.44","0.004","90","","2818","0.5","296","2","296","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","triethyl 3-(4-chlorophenyl)-5-fluoro-1-tosyl-1H-pyrrole-2,2,4(3H)-tricarboxylate","","- C26 H27 Cl F N O8 S -","- C26 H27 Cl F N O8 S -","- C104 H108 Cl4 F4 N4 O32 S4 -","4","1","","Yang, Jieru; Zhou, Xiaofan; Zeng, Yu; Huang, Chaoqian; Xiao, Yuanjing; Zhang, Junliang","Synthesis of 2-fluoro-2-pyrrolines via tandem reaction of α-trifluoromethyl-α,β-unsaturated carbonyl compounds with N-tosylated 2-aminomalonates.","Chemical communications (Cambridge, England)","2016","52","27","4922","4925","10.1039/c6cc00831c","","","0.71073","MoKα","","0.0946","0.054","","","0.1386","0.1664","","","","","","1.021","","","","has coordinates","181554","2020-10-21","18:00:00",""
"7118852","19.7366","0.0015","11.0069","0.0008","14.8933","0.0011","90","","130.433","0.001","90","","2462.7","0.3","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C15 H10 N2 O2 -","- C15 H10 N2 O2 -","- C120 H80 N16 O16 -","8","1","","Fan, Liwen; Wang, Tao; Tian, Ying; Xiong, Fei; Wu, Simei; Liang, Qingjin; Zhao, Junfeng","Copper-catalyzed oxidative coupling between quinazoline 3-oxides and unactivated aldehydes: an efficient approach to functionalized quinazolines.","Chemical communications (Cambridge, England)","2016","52","31","5375","5378","10.1039/c6cc00946h","","","0.71073","MoKα","","0.0621","0.0443","","","0.1258","0.1394","","","","","","1.046","","","","has coordinates","182602","2020-10-21","18:00:00",""
"7118853","6.8611","0.0004","18.3584","0.0011","9.5657","0.0006","90","","90.0894","0.0007","90","","1204.88","0.13","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C15 H10 N2 O3 -","- C15.045 H10 N2.006 O3.009 -","- C60.18 H40 N8.024 O12.036 -","4","1","","Fan, Liwen; Wang, Tao; Tian, Ying; Xiong, Fei; Wu, Simei; Liang, Qingjin; Zhao, Junfeng","Copper-catalyzed oxidative coupling between quinazoline 3-oxides and unactivated aldehydes: an efficient approach to functionalized quinazolines.","Chemical communications (Cambridge, England)","2016","52","31","5375","5378","10.1039/c6cc00946h","","","0.71073","MoKα","","0.0517","0.0477","","","0.1218","0.1251","","","","","","1.043","","","","has coordinates,has disorder","182602","2020-10-21","18:00:00",""
"7118854","8.9379","0.0013","10.7203","0.0016","11.0337","0.0016","118.687","0.002","110.073","0.002","93.964","0.002","835.3","0.2","294","2","294","2","","","","","","","","4","P -1","-P 1","2","","","","- C19 H17 N O4 -","- C19 H17 N O4 -","- C38 H34 N2 O8 -","2","1","","Tiwari, Dipak Kumar; Phanindrudu, Mandalaparthi; Aravilli, Vinod Kumar; Sridhar, B.; Likhar, Pravin R.; Tiwari, Dharmendra Kumar","Magnetically recoverable Cu(0)/Fe3O4 catalyzed highly regioselective synthesis of 2,3,4-trisubstituted pyrroles from unactivated terminal alkynes and isocyanides.","Chemical communications (Cambridge, England)","2016","52","25","4675","4678","10.1039/c6cc00459h","","","0.71073","MoKα","","0.0669","0.058","","","0.2109","0.2191","","","","","","1.122","","","","has coordinates","181544","2020-10-21","18:00:00",""
"7118855","19.9224","0.0008","14.1721","0.0006","10.3924","0.0004","90","","111.833","0.002","90","","2723.75","0.19","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C23 H21 K N5 O10 Yb -","- C23 H21 K N5 O10 Yb -","- C92 H84 K4 N20 O40 Yb4 -","4","0.5","","Chen, Wanmin; Tang, Xiaoliang; Dou, Wei; Ju, Zhenghua; Xu, Benhua; Xu, Wenxuan; Liu, Weisheng","K(+)-Induced in situ self-assembly of near-infrared luminescent membrane material armored with bigger Yb(iii) complex crystallites.","Chemical communications (Cambridge, England)","2016","52","29","5124","5127","10.1039/c6cc01938b","","","0.71073","MoKα","","0.0225","0.0202","","","0.0525","0.054","","","","","","1.006","","","","has coordinates","181565","2020-10-21","18:00:00",""
"7118856","10.5784","0.0006","17.3413","0.001","16.6413","0.0009","90","","104.996","0.003","90","","2948.8","0.3","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C25 H29 Li N5 O12 Yb -","- C25 H29 Li N5 O12 Yb -","- C100 H116 Li4 N20 O48 Yb4 -","4","1","","Chen, Wanmin; Tang, Xiaoliang; Dou, Wei; Ju, Zhenghua; Xu, Benhua; Xu, Wenxuan; Liu, Weisheng","K(+)-Induced in situ self-assembly of near-infrared luminescent membrane material armored with bigger Yb(iii) complex crystallites.","Chemical communications (Cambridge, England)","2016","52","29","5124","5127","10.1039/c6cc01938b","","","0.71073","MoKα","","0.0466","0.0297","","","0.0638","0.071","","","","","","1.017","","","","has coordinates,has disorder","181565","2020-10-21","18:00:00",""
"7118857","10.5784","0.0006","17.3413","0.001","16.6413","0.0009","90","","104.996","0.003","90","","2948.8","0.3","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C25 H29 N5 Na O12 Yb -","- C25 H29 N5 Na O12 Yb -","- C100 H116 N20 Na4 O48 Yb4 -","4","1","","Chen, Wanmin; Tang, Xiaoliang; Dou, Wei; Ju, Zhenghua; Xu, Benhua; Xu, Wenxuan; Liu, Weisheng","K(+)-Induced in situ self-assembly of near-infrared luminescent membrane material armored with bigger Yb(iii) complex crystallites.","Chemical communications (Cambridge, England)","2016","52","29","5124","5127","10.1039/c6cc01938b","","","0.71073","MoKα","","0.0434","0.0292","","","0.0599","0.0649","","","","","","1.015","","","","has coordinates","181565","2020-10-21","18:00:00",""
"7118858","12.2689","0.001","13.8207","0.0011","16.0314","0.0015","89.063","0.004","84.408","0.005","88.521","0.004","2704.3","0.4","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C92 H84 N20 O40 Rb4 Yb4 -","- C92 H84 N20 O40 Rb4 Yb4 -","- C92 H84 N20 O40 Rb4 Yb4 -","1","0.5","","Chen, Wanmin; Tang, Xiaoliang; Dou, Wei; Ju, Zhenghua; Xu, Benhua; Xu, Wenxuan; Liu, Weisheng","K(+)-Induced in situ self-assembly of near-infrared luminescent membrane material armored with bigger Yb(iii) complex crystallites.","Chemical communications (Cambridge, England)","2016","52","29","5124","5127","10.1039/c6cc01938b","","","0.71073","MoKα","","0.1492","0.0666","","","0.1275","0.1465","","","","","","1.004","","","","has coordinates,has disorder","181565","2020-10-21","18:00:00",""
"7118859","18.668","0.018","17.357","0.017","16.785","0.017","90","","102.458","0.011","90","","5311","9","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C46 H42 N9 O17 Rb Yb2 -","- C46 H42 N9 O17 Rb Yb2 -","- C184 H168 N36 O68 Rb4 Yb8 -","4","0.5","","Chen, Wanmin; Tang, Xiaoliang; Dou, Wei; Ju, Zhenghua; Xu, Benhua; Xu, Wenxuan; Liu, Weisheng","K(+)-Induced in situ self-assembly of near-infrared luminescent membrane material armored with bigger Yb(iii) complex crystallites.","Chemical communications (Cambridge, England)","2016","52","29","5124","5127","10.1039/c6cc01938b","","","0.71073","MoKα","","0.0945","0.043","","","0.0862","0.1016","","","","","","1.01","","","","has coordinates,has disorder","181565","2020-10-21","18:00:00",""
"7118860","23.108","0.003","23.108","0.003","56.327","0.011","90","","90","","120","","26048","7","100","2","100","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C232.5 H275.5 Cl8 Cu32 N67.5 O57 -","- C222.654 H237.09 Cl8 Cu32 N64.218 O42 -","- C667.962 H711.27 Cl24 Cu96 N192.654 O126 -","3","0.166667","","Feng, Sisi; Jia, Fei; Lu, Liping; Li, Zhongping; Zhang, Shuo","An unusual 32-membered copper(ii) metallomacrocube based on a Cu4O3X cubic core: photocatalytic, electrocatalytic, and magnetic properties.","Chemical communications (Cambridge, England)","2016","52","23","4294","4297","10.1039/c6cc00399k","","","0.72","synchrotron","","0.1204","0.078","","","0.231","0.2585","","","","","","0.996","","","","has coordinates,has disorder","178124","2020-10-21","18:00:00",""
"7118861","14.7059","0.0003","18.0236","0.0004","19.3772","0.0004","90","","90","","90","","5135.99","0.19","296","2","296","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C50 H73 Br N3 Na O10 -","- C50 H73 Br N3 Na O10 -","- C200 H292 Br4 N12 Na4 O40 -","4","1","","Shi, Qiuyan; Li, Yu; Bo, Shaowei; Li, Xiaofei; Zhao, Peng; Liu, Qi; Yang, Zhigang; Cong, Hengjiang; Deng, Hexiang; Chen, Mingnan; Chen, Shizhen; Zhou, Xin; Ding, Hong; Jiang, Zhong-Xing","Discovery of a (19)F MRI sensitive salinomycin derivative with high cytotoxicity towards cancer cells.","Chemical communications (Cambridge, England)","2016","52","29","5136","5139","10.1039/c6cc01508e","","","1.54178","CuKα","","0.0431","0.042","","","0.1185","0.1198","","","","","","1.035","","","","has coordinates,has disorder","181558","2020-10-21","18:00:00",""
"7118862","13.5526","0.0001","13.5526","0.0001","57.9362","0.0006","90","","90","","90","","10641.3","0.16","296","2","296","2","","","","","","","","6","P 41 21 2","P 4abw 2nw","92","","","","- C50 H75 Br K N3 O11 -","- C50 H75 Br K N3 O11 -","- C400 H600 Br8 K8 N24 O88 -","8","1","","Shi, Qiuyan; Li, Yu; Bo, Shaowei; Li, Xiaofei; Zhao, Peng; Liu, Qi; Yang, Zhigang; Cong, Hengjiang; Deng, Hexiang; Chen, Mingnan; Chen, Shizhen; Zhou, Xin; Ding, Hong; Jiang, Zhong-Xing","Discovery of a (19)F MRI sensitive salinomycin derivative with high cytotoxicity towards cancer cells.","Chemical communications (Cambridge, England)","2016","52","29","5136","5139","10.1039/c6cc01508e","","","1.54178","CuKα","","0.0445","0.0416","","","0.1132","0.1157","","","","","","1.038","","","","has coordinates,has disorder","181558","2020-10-21","18:00:00",""
"7118863","10.5042","0.0009","12.4115","0.0011","22.3482","0.0019","75.394","0.001","77.732","0.001","86.444","0.001","2754.9","0.4","90","2","90","2","","","","","","","","6","P -1","-P 1","2","Ru(dppe)2(CCPy)2","Ru(dppe)2(CCPy)2","","- C67 H58 Cl2 N2 P4 Ru -","- C67 H58 Cl2 N2 P4 Ru -","- C134 H116 Cl4 N4 P8 Ru2 -","2","1","","Sugimoto, Kaho; Tanaka, Yuya; Fujii, Shintaro; Tada, Tomofumi; Kiguchi, Manabu; Akita, Munetaka","Organometallic molecular wires as versatile modules for energy-level alignment of the metal-molecule-metal junction.","Chemical communications (Cambridge, England)","2016","52","34","5796","5799","10.1039/c6cc01705c","","","0.71073","MoKα","","0.0458","0.035","","","0.109","0.1195","","","","","","0.929","","","","has coordinates","182606","2020-10-21","18:00:00",""
"7118864","11.91371","0.00017","15.9042","0.0002","21.6218","0.0004","90","","91.0689","0.0014","90","","4096.14","0.11","130","2","130","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C21 H30 Bi2 Br13 N3 -","- C21 H30 Bi2 Br13 N3 -","- C84 H120 Bi8 Br52 N12 -","4","0.5","","Adonin, Sergey A.; Gorokh, Igor D.; Samsonenko, Denis G.; Sokolov, Maxim N.; Fedin, Vladimir P.","Bi(iii) polybromides: a new chapter in coordination chemistry of bismuth.","Chemical communications (Cambridge, England)","2016","52","28","5061","5063","10.1039/c6cc01704e","","x-ray","0.71073","MoKα","","0.0577","0.0494","","","0.1707","0.1822","","","","","","1.064","","","","has coordinates","181567","2020-10-21","18:00:00",""
"7118865","9.5341","0.0003","21.4727","0.0006","35.055","0.001","90","","97.093","0.003","90","","7121.6","0.4","130","2","130","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H24 Bi2 Br11 N3 -","- C18 H24 Bi2 Br11 N3 -","- C144 H192 Bi16 Br88 N24 -","8","2","","Adonin, Sergey A.; Gorokh, Igor D.; Samsonenko, Denis G.; Sokolov, Maxim N.; Fedin, Vladimir P.","Bi(iii) polybromides: a new chapter in coordination chemistry of bismuth.","Chemical communications (Cambridge, England)","2016","52","28","5061","5063","10.1039/c6cc01704e","","x-ray","0.71073","MoKα","","0.0761","0.0496","","","0.1039","0.1185","","","","","","1.036","","","","has coordinates","181567","2020-10-21","18:00:00",""
"7118866","14.1671","0.0003","19.7299","0.0004","7.74397","0.00016","90","","90","","90","","2164.56","0.08","130","2","130","2","","","","","","","","5","C m c m","-C 2c 2","63","","","","- C12 H14 Bi Br7 N2 -","- C12 H14 Bi Br7 N2 -","- C48 H56 Bi4 Br28 N8 -","4","0.25","","Adonin, Sergey A.; Gorokh, Igor D.; Samsonenko, Denis G.; Sokolov, Maxim N.; Fedin, Vladimir P.","Bi(iii) polybromides: a new chapter in coordination chemistry of bismuth.","Chemical communications (Cambridge, England)","2016","52","28","5061","5063","10.1039/c6cc01704e","","x-ray","0.71073","MoKα","","0.0336","0.0302","","","0.076","0.0782","","","","","","1.074","","","","has coordinates","181567","2020-10-21","18:00:00",""
"7118867","16.0606","0.0004","13.9864","0.0003","19.4745","0.0004","90","","90","","90","","4374.56","0.17","130","2","130","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C28 H36 Bi Br13 N4 -","- C28 H36 Bi Br13 N4 -","- C112 H144 Bi4 Br52 N16 -","4","0.5","","Adonin, Sergey A.; Gorokh, Igor D.; Samsonenko, Denis G.; Sokolov, Maxim N.; Fedin, Vladimir P.","Bi(iii) polybromides: a new chapter in coordination chemistry of bismuth.","Chemical communications (Cambridge, England)","2016","52","28","5061","5063","10.1039/c6cc01704e","","x-ray","0.71073","MoKα","","0.0346","0.0227","","","0.0339","0.0362","","","","","","1.031","","","","has coordinates","181567","2020-10-21","18:00:00",""
"7118868","17.2568","0.0016","14.4839","0.0011","18.3034","0.0018","90","","96.454","0.001","90","","4545.9","0.7","298","2","298","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C92 H28 Cl8 F40 N8 O2 -","- C92 H28 Cl8 F40 N8 O2 -","- C184 H56 Cl16 F80 N16 O4 -","2","0.5","","Zhang, Kai; Savage, Mathew; Li, Xin; Jiang, Yu; Ishida, Masatoshi; Mitsuno, Koki; Karasawa, Satoru; Kato, Tatsuhisa; Zhu, Weihua; Yang, Sihai; Furuta, Hiroyuki; Xie, Yongshu","Rational syntheses of helical π-conjugated oligopyrrins with a bipyrrole linkage: geometry control of bis-copper(ii) coordination.","Chemical communications (Cambridge, England)","2016","52","29","5148","5151","10.1039/c6cc00707d","","","0.71073","MoKα","","0.167","0.0694","","","0.1738","0.2426","","","","","","1.02","","","","has coordinates","181561","2020-10-21","18:00:00",""
"7118869","11.1752","0.0005","16.3892","0.0008","37.51","0.003","90","","93.375","0.001","90","","6858.1","0.7","298","2","298","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C70 H24 Cu2 F30 N6 O4 S2 -","- C70 H24 Cu2 F30 N6 O4 S2 -","- C280 H96 Cu8 F120 N24 O16 S8 -","4","1","","Zhang, Kai; Savage, Mathew; Li, Xin; Jiang, Yu; Ishida, Masatoshi; Mitsuno, Koki; Karasawa, Satoru; Kato, Tatsuhisa; Zhu, Weihua; Yang, Sihai; Furuta, Hiroyuki; Xie, Yongshu","Rational syntheses of helical π-conjugated oligopyrrins with a bipyrrole linkage: geometry control of bis-copper(ii) coordination.","Chemical communications (Cambridge, England)","2016","52","29","5148","5151","10.1039/c6cc00707d","","","0.71073","MoKα","","0.1466","0.0673","","","0.151","0.1697","","","","","","1.015","","","","has coordinates,has disorder","181561","2020-10-21","18:00:00",""
"7118870","15.2047","0.0018","23.71","0.003","25.959","0.003","90","","103.577","0.002","90","","9096.8","1.9","193","2","193","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C83 H23 Cu2 F35 N10 O2 -","- C83 H23 Cu2 F35 N10 O2 -","- C332 H92 Cu8 F140 N40 O8 -","4","1","","Zhang, Kai; Savage, Mathew; Li, Xin; Jiang, Yu; Ishida, Masatoshi; Mitsuno, Koki; Karasawa, Satoru; Kato, Tatsuhisa; Zhu, Weihua; Yang, Sihai; Furuta, Hiroyuki; Xie, Yongshu","Rational syntheses of helical π-conjugated oligopyrrins with a bipyrrole linkage: geometry control of bis-copper(ii) coordination.","Chemical communications (Cambridge, England)","2016","52","29","5148","5151","10.1039/c6cc00707d","","","0.71073","MoKα","","0.1056","0.0668","","","0.1866","0.2036","","","","","","1.077","","","","has coordinates,has disorder","181561","2020-10-21","18:00:00",""
"7118871","17.0506","0.0017","14.6158","0.0013","23.435","0.002","90","","129.005","0.002","90","","4538.4","0.7","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C92 H24 Cl8 Cu2 F40 N8 O2 -","- C92 H24 Cl8 Cu2 F40 N8 O2 -","- C184 H48 Cl16 Cu4 F80 N16 O4 -","2","0.5","","Zhang, Kai; Savage, Mathew; Li, Xin; Jiang, Yu; Ishida, Masatoshi; Mitsuno, Koki; Karasawa, Satoru; Kato, Tatsuhisa; Zhu, Weihua; Yang, Sihai; Furuta, Hiroyuki; Xie, Yongshu","Rational syntheses of helical π-conjugated oligopyrrins with a bipyrrole linkage: geometry control of bis-copper(ii) coordination.","Chemical communications (Cambridge, England)","2016","52","29","5148","5151","10.1039/c6cc00707d","","","0.71073","MoKα","","0.2788","0.1071","","","0.2203","0.3196","","","","","","1.032","","","","has coordinates","181561","2020-10-21","18:00:00",""
"7118872","13.133","0.0014","16.1932","0.0013","20.7009","0.0016","81.317","0.001","86.431","0.002","83.348","0.001","4318.1","0.7","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C94 H29 F40 N11 O2 Zn2 -","- C94 H25 F40 N11 O2 Zn2 -","- C188 H50 F80 N22 O4 Zn4 -","2","1","","Zhang, Kai; Savage, Mathew; Li, Xin; Jiang, Yu; Ishida, Masatoshi; Mitsuno, Koki; Karasawa, Satoru; Kato, Tatsuhisa; Zhu, Weihua; Yang, Sihai; Furuta, Hiroyuki; Xie, Yongshu","Rational syntheses of helical π-conjugated oligopyrrins with a bipyrrole linkage: geometry control of bis-copper(ii) coordination.","Chemical communications (Cambridge, England)","2016","52","29","5148","5151","10.1039/c6cc00707d","","","0.71073","MoKα","","0.1359","0.0702","","","0.1349","0.1647","","","","","","1.005","","","","has coordinates","181561","2020-10-21","18:00:00",""
"7118873","17.0545","0.0011","29.3289","0.0019","35.668","0.002","85.911","0.004","89.317","0.004","86.562","0.004","17762.8","1.9","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","Au25-xAgx(SC6H11)18-","","- C140 H266 Ag19.4 Au5.6 N S18 -","- C124 H226.5 Ag19.4 Au5.6 N0.5 S18 -","- C496 H906 Ag77.6 Au22.4 N2 S72 -","4","2","","Li, Qi; Wang, Shuxin; Kirschbaum, Kristin; Lambright, Kelly J.; Das, Anindita; Jin, Rongchao","Heavily doped Au25-xAgx(SC6H11)18(-) nanoclusters: silver goes from the core to the surface.","Chemical communications (Cambridge, England)","2016","52","29","5194","5197","10.1039/c6cc01243d","","","1.54178","CuKα","","0.1674","0.1159","","","0.2973","0.332","","","","","","1.092","","","","has coordinates,has disorder","198632","2020-10-21","18:00:00",""
"7118874","13.5677","0.001","13.0684","0.0009","20.6626","0.0016","90","","105.603","0.001","90","","3528.6","0.4","113","2","113","2","","","","","","","","8","P 1 21 1","P 2yb","4","","Ir-SBAP-Me","","- C76 H66 B F24 Ir N O P -","- C76 H66 B F24 Ir N O P -","- C152 H132 B2 F48 Ir2 N2 O2 P2 -","2","1","","Yu, Yan-Bo; Cheng, Lei; Li, Yi-Pan; Fu, Yue; Zhu, Shou-Fei; Zhou, Qi-Lin","Enantioselective iridium-catalyzed hydrogenation of β,β-disubstituted nitroalkenes.","Chemical communications (Cambridge, England)","2016","52","26","4812","4815","10.1039/c6cc01273f","","","0.71073","MoKα","","0.017","0.0151","","","0.0312","0.0314","","","","","","0.705","","","","has coordinates,has disorder","181539","2020-10-21","18:00:00",""
"7118875","17.4201","0.0003","13.4798","0.00019","12.0817","0.0002","90","","102.537","0.0017","90","","2769.37","0.08","293.15","","293","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","[1,4-C6H4{PPh2(AuCl)}2]","","- C30 H24 Au2 Cl2 P2 -","- C30 H24 Au2 Cl2 P2 -","- C120 H96 Au8 Cl8 P8 -","4","0.5","","O'Connor, Alice E; Mirzadeh, Nedaossadat; Bhargava, Suresh K.; Easun, Timothy L.; Schröder, Martin; Blake, Alexander J.","Aurophilicity under pressure: a combined crystallographic and in situ spectroscopic study.","Chemical communications (Cambridge, England)","2016","52","41","6769","6772","10.1039/c6cc00923a","","x-ray","0.71073","MoKα","","0.0318","0.0238","","","0.0465","0.0497","","","","","","1.035","","","","has coordinates","185105","2020-10-21","18:00:00",""
"7118876","17.4151","0.0005","13.4808","0.0005","12.079","0.0006","90","","102.508","0.004","90","","2768.48","0.19","293.15","","293.15","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C30 H24 Au2 Cl2 P2 -","- C30 H24 Au2 Cl2 P2 -","- C120 H96 Au8 Cl8 P8 -","4","0.5","","O'Connor, Alice E; Mirzadeh, Nedaossadat; Bhargava, Suresh K.; Easun, Timothy L.; Schröder, Martin; Blake, Alexander J.","Aurophilicity under pressure: a combined crystallographic and in situ spectroscopic study.","Chemical communications (Cambridge, England)","2016","52","41","6769","6772","10.1039/c6cc00923a","","x-ray","0.71073","MoKα","","0.0353","0.0238","","","0.0429","0.046","","","","","","1.07","","","","has coordinates","185105","2020-10-21","18:00:00",""
"7118877","17.2129","0.0005","13.3158","0.0005","11.79","0.0005","90","","102.848","0.004","90","","2634.65","0.17","293.15","","293.15","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C30 H24 Au2 Cl2 P2 -","- C30 H24 Au2 Cl2 P2 -","- C120 H96 Au8 Cl8 P8 -","4","0.5","","O'Connor, Alice E; Mirzadeh, Nedaossadat; Bhargava, Suresh K.; Easun, Timothy L.; Schröder, Martin; Blake, Alexander J.","Aurophilicity under pressure: a combined crystallographic and in situ spectroscopic study.","Chemical communications (Cambridge, England)","2016","52","41","6769","6772","10.1039/c6cc00923a","","x-ray","0.71073","MoKα","","0.0449","0.0287","","","0.0495","0.0545","","","","","","1.077","","","","has coordinates","185105","2020-10-21","18:00:00",""
"7118878","17.0509","0.0005","13.1824","0.0005","11.579","0.0005","90","","103.183","0.004","90","","2534.04","0.17","293.15","","293.15","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C30 H24 Au2 Cl2 P2 -","- C30 H24 Au2 Cl2 P2 -","- C120 H96 Au8 Cl8 P8 -","4","0.5","","O'Connor, Alice E; Mirzadeh, Nedaossadat; Bhargava, Suresh K.; Easun, Timothy L.; Schröder, Martin; Blake, Alexander J.","Aurophilicity under pressure: a combined crystallographic and in situ spectroscopic study.","Chemical communications (Cambridge, England)","2016","52","41","6769","6772","10.1039/c6cc00923a","","x-ray","0.71073","MoKα","","0.0393","0.0256","","","0.0469","0.051","","","","","","1.102","","","","has coordinates","185105","2020-10-21","18:00:00",""
"7118879","16.8213","0.0016","13.0052","0.0017","11.2967","0.0018","90","","103.502","0.012","90","","2403","0.6","293.15","","293.15","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C30 H24 Au2 Cl2 P2 -","- C30 H24 Au2 Cl2 P2 -","- C120 H96 Au8 Cl8 P8 -","4","0.5","","O'Connor, Alice E; Mirzadeh, Nedaossadat; Bhargava, Suresh K.; Easun, Timothy L.; Schröder, Martin; Blake, Alexander J.","Aurophilicity under pressure: a combined crystallographic and in situ spectroscopic study.","Chemical communications (Cambridge, England)","2016","52","41","6769","6772","10.1039/c6cc00923a","","x-ray","0.71073","MoKα","","0.1321","0.0591","","","0.077","0.0957","","","","","","1.077","","","","has coordinates","185105","2020-10-21","18:00:00",""
"7118880","16.6333","0.0006","12.8767","0.0006","11.1124","0.0007","90","","103.804","0.005","90","","2311.3","0.2","293.15","","293.15","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C30 H24 Au2 Cl2 P2 -","- C30 H24 Au2 Cl2 P2 -","- C120 H96 Au8 Cl8 P8 -","4","0.5","","O'Connor, Alice E; Mirzadeh, Nedaossadat; Bhargava, Suresh K.; Easun, Timothy L.; Schröder, Martin; Blake, Alexander J.","Aurophilicity under pressure: a combined crystallographic and in situ spectroscopic study.","Chemical communications (Cambridge, England)","2016","52","41","6769","6772","10.1039/c6cc00923a","","x-ray","0.71073","MoKα","","0.0324","0.0234","","","0.0459","0.0497","","","","","","1.086","","","","has coordinates","185105","2020-10-21","18:00:00",""
"7118881","16.5181","0.0004","12.7957","0.0005","10.9986","0.0005","90","","103.959","0.004","90","","2256.02","0.15","293.15","","293.15","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C30 H24 Au2 Cl2 P2 -","- C30 H24 Au2 Cl2 P2 -","- C120 H96 Au8 Cl8 P8 -","4","0.5","","O'Connor, Alice E; Mirzadeh, Nedaossadat; Bhargava, Suresh K.; Easun, Timothy L.; Schröder, Martin; Blake, Alexander J.","Aurophilicity under pressure: a combined crystallographic and in situ spectroscopic study.","Chemical communications (Cambridge, England)","2016","52","41","6769","6772","10.1039/c6cc00923a","","x-ray","0.71073","MoKα","","0.0376","0.0273","","","0.0577","0.0642","","","","","","1.095","","","","has coordinates","185105","2020-10-21","18:00:00",""
"7118882","16.3552","0.0004","12.6807","0.0005","10.8457","0.0005","90","","104.192","0.004","90","","2180.7","0.15","293","2","293.15","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C30 H24 Au2 Cl2 P2 -","- C30 H24 Au2 Cl2 P2 -","- C120 H96 Au8 Cl8 P8 -","4","0.5","","O'Connor, Alice E; Mirzadeh, Nedaossadat; Bhargava, Suresh K.; Easun, Timothy L.; Schröder, Martin; Blake, Alexander J.","Aurophilicity under pressure: a combined crystallographic and in situ spectroscopic study.","Chemical communications (Cambridge, England)","2016","52","41","6769","6772","10.1039/c6cc00923a","","x-ray","0.71073","MoKα","","0.0299","0.0226","","","0.0496","0.0525","","","","","","1.092","","","","has coordinates","185105","2020-10-21","18:00:00",""
"7118883","16.1848","0.0004","12.5654","0.0005","10.6996","0.0005","90","","104.452","0.004","90","","2107.11","0.14","293.15","","293.15","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C30 H24 Au2 Cl2 P2 -","- C30 H24 Au2 Cl2 P2 -","- C120 H96 Au8 Cl8 P8 -","4","0.5","","O'Connor, Alice E; Mirzadeh, Nedaossadat; Bhargava, Suresh K.; Easun, Timothy L.; Schröder, Martin; Blake, Alexander J.","Aurophilicity under pressure: a combined crystallographic and in situ spectroscopic study.","Chemical communications (Cambridge, England)","2016","52","41","6769","6772","10.1039/c6cc00923a","","x-ray","0.71073","MoKα","","0.0328","0.0264","","","0.0572","0.0605","","","","","","1.081","","","","has coordinates","185105","2020-10-21","18:00:00",""
"7118884","16.1185","0.0006","12.5191","0.0007","10.6485","0.0006","90","","104.564","0.005","90","","2079.71","0.19","293.15","","293.15","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C30 H24 Au2 Cl2 P2 -","- C30 H24 Au2 Cl2 P2 -","- C120 H96 Au8 Cl8 P8 -","4","0.5","","O'Connor, Alice E; Mirzadeh, Nedaossadat; Bhargava, Suresh K.; Easun, Timothy L.; Schröder, Martin; Blake, Alexander J.","Aurophilicity under pressure: a combined crystallographic and in situ spectroscopic study.","Chemical communications (Cambridge, England)","2016","52","41","6769","6772","10.1039/c6cc00923a","","x-ray","0.71073","MoKα","","0.0287","0.0234","","","0.0518","0.0543","","","","","","1.06","","","","has coordinates","185105","2020-10-21","18:00:00",""
"7118885","15.9507","0.0006","12.4062","0.0007","10.5188","0.0007","90","","104.813","0.005","90","","2012.4","0.2","293.15","","293.15","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C30 H24 Au2 Cl2 P2 -","- C30 H24 Au2 Cl2 P2 -","- C120 H96 Au8 Cl8 P8 -","4","0.5","","O'Connor, Alice E; Mirzadeh, Nedaossadat; Bhargava, Suresh K.; Easun, Timothy L.; Schröder, Martin; Blake, Alexander J.","Aurophilicity under pressure: a combined crystallographic and in situ spectroscopic study.","Chemical communications (Cambridge, England)","2016","52","41","6769","6772","10.1039/c6cc00923a","","x-ray","0.71073","MoKα","","0.028","0.0212","","","0.049","0.0516","","","","","","1.071","","","","has coordinates","185105","2020-10-21","18:00:00",""
"7118886","15.9198","0.0006","12.3906","0.0007","10.5027","0.0007","90","","104.853","0.005","90","","2002.5","0.2","293.15","","293.15","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C30 H24 Au2 Cl2 P2 -","- C30 H24 Au2 Cl2 P2 -","- C120 H96 Au8 Cl8 P8 -","4","0.5","","O'Connor, Alice E; Mirzadeh, Nedaossadat; Bhargava, Suresh K.; Easun, Timothy L.; Schröder, Martin; Blake, Alexander J.","Aurophilicity under pressure: a combined crystallographic and in situ spectroscopic study.","Chemical communications (Cambridge, England)","2016","52","41","6769","6772","10.1039/c6cc00923a","","x-ray","0.71073","MoKα","","0.0296","0.0233","","","0.051","0.0538","","","","","","1.059","","","","has coordinates","185105","2020-10-21","18:00:00",""
"7118887","15.8861","0.0004","12.3656","0.0005","10.4819","0.0005","90","","104.901","0.004","90","","1989.83","0.14","293.15","","293.15","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C30 H24 Au2 Cl2 P2 -","- C30 H24 Au2 Cl2 P2 -","- C120 H96 Au8 Cl8 P8 -","4","0.5","","O'Connor, Alice E; Mirzadeh, Nedaossadat; Bhargava, Suresh K.; Easun, Timothy L.; Schröder, Martin; Blake, Alexander J.","Aurophilicity under pressure: a combined crystallographic and in situ spectroscopic study.","Chemical communications (Cambridge, England)","2016","52","41","6769","6772","10.1039/c6cc00923a","","x-ray","0.71073","MoKα","","0.0293","0.0225","","","0.0491","0.0515","","","","","","1.049","","","","has coordinates","185105","2020-10-21","18:00:00",""
"7118888","15.8107","0.0007","12.3314","0.0008","10.4704","0.0008","90","","104.924","0.007","90","","1972.5","0.2","293","2","293.15","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C30 H24 Au2 Cl2 P2 -","- C30 H24 Au2 Cl2 P2 -","- C120 H96 Au8 Cl8 P8 -","4","0.5","","O'Connor, Alice E; Mirzadeh, Nedaossadat; Bhargava, Suresh K.; Easun, Timothy L.; Schröder, Martin; Blake, Alexander J.","Aurophilicity under pressure: a combined crystallographic and in situ spectroscopic study.","Chemical communications (Cambridge, England)","2016","52","41","6769","6772","10.1039/c6cc00923a","","x-ray","0.71073","MoKα","","0.0386","0.0272","","","0.0528","0.0613","","","","","","1.125","","","","has coordinates","185105","2020-10-21","18:00:00",""
"7118889","10.115","0.0019","4.5875","0.0011","11.876","0.003","90","","90.026","0.018","90","","551.1","0.2","93","","93","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C5 H6 F4 -","- C5 H6 F4 -","- C20 H24 F16 -","4","1","","Fang, Zeguo; Al-Maharik, Nawaf; Slawin, Alexandra M. Z.; Bühl, Michael; O'Hagan, David","Polar alicyclic rings: synthesis and structure of all cis-1,2,3,4-tetrafluorocyclopentane.","Chemical communications (Cambridge, England)","2016","52","29","5116","5119","10.1039/c6cc01348a","","","0.71075","MoKα","","0.0638","0.0605","","","0.1575","0.161","","","","","","1.049","","","","has coordinates","181559","2020-10-21","18:00:00",""
"7118890","9.5809","0.0004","13.6588","0.0006","22.8484","0.0009","90","","90","","90","","2990","0.2","100","1","100","1","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C18 H19 N O2 -","- C18 H19 N O2 -","- C144 H152 N8 O16 -","8","1","","Nandi, Raj Kumar; Ratsch, Friederike; Beaud, Rodolphe; Guillot, Régis; Kouklovsky, Cyrille; Vincent, Guillaume","Intermolecular dearomative C2-arylation of N-Ac indoles activated by FeCl3.","Chemical communications (Cambridge, England)","2016","52","30","5328","5331","10.1039/c6cc01654e","","x-ray","0.71073","MoKα","","0.0537","0.0446","","","0.1269","0.1351","","","","","","1.068","","","","has coordinates","182597","2020-10-21","18:00:00",""
"7118891","7.7189","0.0004","9.7482","0.0005","29.5931","0.0014","90","","94.235","0.002","90","","2220.66","0.19","100","1","100","1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C28 H25 N O3 -","- C28 H25 N O3 -","- C112 H100 N4 O12 -","4","1","","Nandi, Raj Kumar; Ratsch, Friederike; Beaud, Rodolphe; Guillot, Régis; Kouklovsky, Cyrille; Vincent, Guillaume","Intermolecular dearomative C2-arylation of N-Ac indoles activated by FeCl3.","Chemical communications (Cambridge, England)","2016","52","30","5328","5331","10.1039/c6cc01654e","","","0.71073","MoKα","","0.0597","0.049","","","0.1188","0.1247","","","","","","1.07","","","","has coordinates","182597","2020-10-21","18:00:00",""
"7118892","7.9573","0.0003","9.6303","0.0003","10.5963","0.0003","68.147","0.001","75.128","0.002","69.312","0.001","697.7","0.04","100","1","100","1","","","","","","","","5","P -1","-P 1","2","","","","- C18 H16 Br N O -","- C18 H16 Br N O -","- C36 H32 Br2 N2 O2 -","2","1","","Nandi, Raj Kumar; Ratsch, Friederike; Beaud, Rodolphe; Guillot, Régis; Kouklovsky, Cyrille; Vincent, Guillaume","Intermolecular dearomative C2-arylation of N-Ac indoles activated by FeCl3.","Chemical communications (Cambridge, England)","2016","52","30","5328","5331","10.1039/c6cc01654e","","x-ray","0.71073","MoKα","","0.0362","0.0285","","","0.067","0.0694","","","","","","1.068","","","","has coordinates","182597","2020-10-21","18:00:00",""
"7118893","13.0136","0.001","15.5458","0.0012","20.433","0.0015","90","","90.546","0.001","90","","4133.5","0.5","100","1","100","1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C33 H75 Cl N4 Pu Si3 -","- C33 H75 Cl N4 Pu Si3 -","- C132 H300 Cl4 N16 Pu4 Si12 -","4","1","","Brown, Jessie L.; Gaunt, Andrew J.; King, David M.; Liddle, Stephen T.; Reilly, Sean D.; Scott, Brian L.; Wooles, Ashley J.","Neptunium and plutonium complexes with a sterically encumbered triamidoamine (TREN) scaffold.","Chemical communications (Cambridge, England)","2016","52","31","5428","5431","10.1039/c6cc01656a","","","0.71073","MoKα","","0.0374","0.0291","","","0.0764","0.0838","","","","","","1.904","","","","has coordinates","182605","2020-10-21","18:00:00",""
"7118894","12.9845","0.001","15.6008","0.0012","20.4035","0.0015","90","","90.648","0.001","90","","4132.8","0.5","140","1","140","1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C33 H75 Cl N4 Np Si3 -","- C33 H75 Cl N4 Np Si3 -","- C132 H300 Cl4 N16 Np4 Si12 -","4","1","","Brown, Jessie L.; Gaunt, Andrew J.; King, David M.; Liddle, Stephen T.; Reilly, Sean D.; Scott, Brian L.; Wooles, Ashley J.","Neptunium and plutonium complexes with a sterically encumbered triamidoamine (TREN) scaffold.","Chemical communications (Cambridge, England)","2016","52","31","5428","5431","10.1039/c6cc01656a","","","0.71073","MoKα","","0.0357","0.0241","","","0.0448","0.0474","","","","","","1.114","","","","has coordinates","182605","2020-10-21","18:00:00",""
"7118897","22.4","0.0009","29.9961","0.0013","9.5945","0.0004","90","","90","","90","","6446.7","0.5","122","","122","","","","","","","","synthesis","4","P 21 21 2","P 2 2ab","18","","BocN-(ACPC)6-(Leu)2-OBn","","- C61 H95 N8 O12 -","- C60.737 H94.856 N8 O11.783 -","- C242.948 H379.424 N32 O47.132 -","4","1","","Yoon, Eunyoung; Gong, Jintaek; Jung, Yoonchul; Lee, Wonchul; Driver, Russell W.; Lee, Hee-Seung","Unambiguous characterization of anisotropic foldamer packing in a foldecture with an elongated hexagonal plate shape.","Chemical communications (Cambridge, England)","2016","52","30","5250","5253","10.1039/c6cc00502k","","","0.71073","MoKα","","0.0529","0.0508","","0.1334","0.1317","0.1334","","","","","","0.9351","","","","has coordinates,has disorder","182594","2020-10-21","18:00:00",""
"7118898","20.6782","0.001","11.2433","0.0005","23.3822","0.0011","90","","108.634","0.002","90","","5151.2","0.4","150","2","150","2","","","","","","","","7","C 1 2/m 1","-C 2y","12","","","","- C12 H96 K3 Mo16 N O74 S16 -","- C8 K3 Mo16 O73.6 S16 -","- C16 K6 Mo32 O147.2 S32 -","2","0.25","","Zang, Hongying; Surman, Andrew; Long, Deliang; Cronin, Leroy; Miras, Haralampos N.","Exploiting the equilibrium dynamics in the self-assembly of inorganic macrocycles based upon polyoxothiometalate building blocks.","Chemical communications (Cambridge, England)","2016","52","58","9109","9112","10.1039/c6cc01041e","","","0.71073","MoKα","","0.0501","0.0462","","","0.128","0.134","","","","","","1.039","","","","has coordinates","211332","2020-10-21","18:00:00",""
"7118899","38.31","0.002","17.3787","0.0009","12.5611","0.0007","90","","91.431","0.005","90","","8360.3","0.8","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C12 H90 Mo12 N2 O52 S12 -","- C12 H30 Mo12 N2 O48.8 S12 -","- C48 H120 Mo48 N8 O195.2 S48 -","4","0.5","","Zang, Hongying; Surman, Andrew; Long, Deliang; Cronin, Leroy; Miras, Haralampos N.","Exploiting the equilibrium dynamics in the self-assembly of inorganic macrocycles based upon polyoxothiometalate building blocks.","Chemical communications (Cambridge, England)","2016","52","58","9109","9112","10.1039/c6cc01041e","","","0.71073","MoKα","","0.0807","0.067","","","0.1794","0.1864","","","","","","1.116","","","","has coordinates,has disorder","211332","2020-10-21","18:00:00",""
"7118900","9.1654","0.0005","9.1839","0.0008","10.0995","0.001","113.841","0.009","100.43","0.006","108.001","0.007","692.27","0.13","100","0.1","100","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C14 H22 Cl2 I6 N4 Pt -","- C14 H22 Cl2 I6 N4 Pt -","- C14 H22 Cl2 I6 N4 Pt -","1","0.5","","Ivanov, Daniil M.; Novikov, Alexander S.; Ananyev, Ivan V.; Kirina, Yulia V.; Kukushkin, Vadim Yu","Halogen bonding between metal centers and halocarbons.","Chemical communications (Cambridge, England)","2016","52","32","5565","5568","10.1039/c6cc01107a","","","0.71073","MoKα","","0.0572","0.0379","","","0.0771","0.0915","","","","","","1.096","","","","has coordinates","182609","2020-10-21","18:00:00",""
"7118901","9.1564","0.0006","9.1703","0.0008","10.0589","0.0008","113.561","0.007","100.692","0.007","107.883","0.007","689.26","0.12","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C14 H22 Cl2 I6 N4 Pt -","- C14 H22 Cl2 I6 N4 Pt -","- C14 H22 Cl2 I6 N4 Pt -","1","0.5","","Ivanov, Daniil M.; Novikov, Alexander S.; Ananyev, Ivan V.; Kirina, Yulia V.; Kukushkin, Vadim Yu","Halogen bonding between metal centers and halocarbons.","Chemical communications (Cambridge, England)","2016","52","32","5565","5568","10.1039/c6cc01107a","","","0.71073","MoKα","","0.0461","0.0365","","","0.0835","0.0915","","","","","","1.084","","","","has coordinates","182609","2020-10-21","18:00:00",""
"7118902","9.1806","0.0011","9.3566","0.0009","10.3153","0.001","114.93","0.009","99.18","0.01","108.364","0.01","717.25","0.17","300","0.1","300","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C14 H22 Cl2 I6 N4 Pt -","- C14 H22 Cl2 I6 N4 Pt -","- C14 H22 Cl2 I6 N4 Pt -","1","0.5","","Ivanov, Daniil M.; Novikov, Alexander S.; Ananyev, Ivan V.; Kirina, Yulia V.; Kukushkin, Vadim Yu","Halogen bonding between metal centers and halocarbons.","Chemical communications (Cambridge, England)","2016","52","32","5565","5568","10.1039/c6cc01107a","","","0.71073","MoKα","","0.0684","0.042","","","0.0865","0.1042","","","","","","1.028","","","","has coordinates","182609","2020-10-21","18:00:00",""
"7118903","9.2555","0.0004","9.6136","0.0004","15.3533","0.0007","81.5317","0.0009","75.7689","0.0009","65.7138","0.0008","1205.36","0.09","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","","","- C8 H14 Cl2 I6 N4 Pt -","- C8 H14 Cl2 I6 N4 Pt -","- C16 H28 Cl4 I12 N8 Pt2 -","2","1","","Ivanov, Daniil M.; Novikov, Alexander S.; Ananyev, Ivan V.; Kirina, Yulia V.; Kukushkin, Vadim Yu","Halogen bonding between metal centers and halocarbons.","Chemical communications (Cambridge, England)","2016","52","32","5565","5568","10.1039/c6cc01107a","","","0.71073","MoKα","","0.0423","0.0322","","","0.0703","0.0738","","","","","","1.026","","","","has coordinates,has disorder","182609","2020-10-21","18:00:00",""
"7118904","9.2558","0.0006","9.3667","0.0007","15.2697","0.0011","75.799","0.006","81.826","0.006","65.21","0.007","1163.95","0.16","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C16 H28 Cl7 I9 N8 Pt2 -","- C16 H28 Cl7 I9 N8 Pt2 -","- C16 H28 Cl7 I9 N8 Pt2 -","1","0.5","","Ivanov, Daniil M.; Novikov, Alexander S.; Ananyev, Ivan V.; Kirina, Yulia V.; Kukushkin, Vadim Yu","Halogen bonding between metal centers and halocarbons.","Chemical communications (Cambridge, England)","2016","52","32","5565","5568","10.1039/c6cc01107a","","","0.71073","MoKα","","0.0382","0.03","","","0.0581","0.0609","","","","","","1.206","","","","has coordinates,has disorder","182609","2020-10-21","18:00:00",""
"7118905","5.7573","0.0004","11.8165","0.0006","9.2197","0.0007","90","","108.047","0.008","90","","596.37","0.07","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C6 H12 Br2 N4 Pt -","- C6 H12 Br2 N4 Pt -","- C12 H24 Br4 N8 Pt2 -","2","0.5","","Ivanov, Daniil M.; Novikov, Alexander S.; Ananyev, Ivan V.; Kirina, Yulia V.; Kukushkin, Vadim Yu","Halogen bonding between metal centers and halocarbons.","Chemical communications (Cambridge, England)","2016","52","32","5565","5568","10.1039/c6cc01107a","","","0.71073","MoKα","","0.0465","0.0328","","","0.0639","0.071","","","","","","1.066","","","","has coordinates","182609","2020-10-21","18:00:00",""
"7118906","9.28","0.0006","9.8201","0.0006","15.7209","0.001","81.037","0.0013","75.8368","0.0013","65.7179","0.0012","1263.74","0.14","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","","","- C8 H14 Br2 I6 N4 Pt -","- C8 H14 Br2 I6 N4 Pt -","- C16 H28 Br4 I12 N8 Pt2 -","2","1","","Ivanov, Daniil M.; Novikov, Alexander S.; Ananyev, Ivan V.; Kirina, Yulia V.; Kukushkin, Vadim Yu","Halogen bonding between metal centers and halocarbons.","Chemical communications (Cambridge, England)","2016","52","32","5565","5568","10.1039/c6cc01107a","","","0.71073","MoKα","","0.0426","0.0351","","","0.0874","0.0908","","","","","","1.041","","","","has coordinates,has disorder","182609","2020-10-21","18:00:00",""
"7118907","8.2473","0.0006","8.7723","0.0006","11.3779","0.0006","104.013","0.005","98.93","0.005","116.223","0.007","683.18","0.1","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C12 H22 Cl2 I6 N4 Pt -","- C12 H22 Cl2 I6 N4 Pt -","- C12 H22 Cl2 I6 N4 Pt -","1","0.5","","Ivanov, Daniil M.; Novikov, Alexander S.; Ananyev, Ivan V.; Kirina, Yulia V.; Kukushkin, Vadim Yu","Halogen bonding between metal centers and halocarbons.","Chemical communications (Cambridge, England)","2016","52","32","5565","5568","10.1039/c6cc01107a","","","0.71073","MoKα","","0.0394","0.03","","","0.0651","0.0701","","","","","","1.029","","","","has coordinates","182609","2020-10-21","18:00:00",""
"7118908","9.9496","0.0003","9.35436","0.00018","14.6232","0.0004","90","","103.295","0.002","90","","1324.54","0.06","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C12 H18 Cl2 I6 N4 Pt -","- C12 H18 Cl2 I6 N4 Pt -","- C24 H36 Cl4 I12 N8 Pt2 -","2","0.5","","Ivanov, Daniil M.; Novikov, Alexander S.; Ananyev, Ivan V.; Kirina, Yulia V.; Kukushkin, Vadim Yu","Halogen bonding between metal centers and halocarbons.","Chemical communications (Cambridge, England)","2016","52","32","5565","5568","10.1039/c6cc01107a","","","0.71073","MoKα","","0.0269","0.0226","","","0.0463","0.0479","","","","","","1.098","","","","has coordinates","182609","2020-10-21","18:00:00",""
"7118909","9.129","0.0008","9.1612","0.0008","10.0487","0.0008","100.776","0.007","113.593","0.008","107.793","0.008","685.71","0.13","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C14 H22 Cl2 I6 N4 Pt -","- C14 H22 Cl2 I6 N4 Pt -","- C14 H22 Cl2 I6 N4 Pt -","1","0.5","","Ivanov, Daniil M.; Novikov, Alexander S.; Ananyev, Ivan V.; Kirina, Yulia V.; Kukushkin, Vadim Yu","Halogen bonding between metal centers and halocarbons.","Chemical communications (Cambridge, England)","2016","52","32","5565","5568","10.1039/c6cc01107a","","","0.71073","MoKα","","0.0446","0.0345","","","0.0652","0.0719","","","","","","1.031","","","","has coordinates","182609","2020-10-21","18:00:00",""
"7118910","9.1465","0.0011","9.1681","0.0011","10.068","0.0012","113.589","0.002","100.676","0.002","107.808","0.002","689.34","0.14","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C14 H22 Cl2 I6 N4 Pt -","- C14 H22 Cl2 I6 N4 Pt -","- C14 H22 Cl2 I6 N4 Pt -","1","0.5","","Ivanov, Daniil M.; Novikov, Alexander S.; Ananyev, Ivan V.; Kirina, Yulia V.; Kukushkin, Vadim Yu","Halogen bonding between metal centers and halocarbons.","Chemical communications (Cambridge, England)","2016","52","32","5565","5568","10.1039/c6cc01107a","","","0.71073","MoKα","","0.0415","0.0302","","","0.0653","0.0695","","","","","","1.002","","","","has coordinates","182609","2020-10-21","18:00:00",""
"7118911","9.168","0.0015","9.1918","0.0015","10.109","0.0016","113.897","0.003","100.373","0.003","107.948","0.003","693.9","0.2","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C14 H22 Cl2 I6 N4 Pt -","- C14 H22 Cl2 I6 N4 Pt -","- C14 H22 Cl2 I6 N4 Pt -","1","0.5","","Ivanov, Daniil M.; Novikov, Alexander S.; Ananyev, Ivan V.; Kirina, Yulia V.; Kukushkin, Vadim Yu","Halogen bonding between metal centers and halocarbons.","Chemical communications (Cambridge, England)","2016","52","32","5565","5568","10.1039/c6cc01107a","","","0.71073","MoKα","","0.0496","0.0333","","","0.0694","0.0749","","","","","","0.961","","","","has coordinates","182609","2020-10-21","18:00:00",""
"7118912","9.1724","0.0012","9.2419","0.0012","10.1625","0.0013","114.172","0.002","100.036","0.002","108.096","0.002","700.48","0.16","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C14 H22 Cl2 I6 N4 Pt -","- C14 H22 Cl2 I6 N4 Pt -","- C14 H22 Cl2 I6 N4 Pt -","1","0.5","","Ivanov, Daniil M.; Novikov, Alexander S.; Ananyev, Ivan V.; Kirina, Yulia V.; Kukushkin, Vadim Yu","Halogen bonding between metal centers and halocarbons.","Chemical communications (Cambridge, England)","2016","52","32","5565","5568","10.1039/c6cc01107a","","","0.71073","MoKα","","0.0533","0.0344","","","0.0724","0.0798","","","","","","0.99","","","","has coordinates","182609","2020-10-21","18:00:00",""
"7118913","9.1743","0.0013","9.2939","0.0012","10.2287","0.0014","114.48","0.002","99.652","0.002","108.236","0.002","707.88","0.17","250","2","250","2","","","","","","","","6","P -1","-P 1","2","","","","- C14 H22 Cl2 I6 N4 Pt -","- C14 H22 Cl2 I6 N4 Pt -","- C14 H22 Cl2 I6 N4 Pt -","1","0.5","","Ivanov, Daniil M.; Novikov, Alexander S.; Ananyev, Ivan V.; Kirina, Yulia V.; Kukushkin, Vadim Yu","Halogen bonding between metal centers and halocarbons.","Chemical communications (Cambridge, England)","2016","52","32","5565","5568","10.1039/c6cc01107a","","","0.71073","MoKα","","0.0551","0.0344","","","0.0724","0.0785","","","","","","1.024","","","","has coordinates","182609","2020-10-21","18:00:00",""
"7118914","9.158","0.0014","9.3355","0.0014","10.2955","0.0016","114.801","0.003","99.221","0.003","108.383","0.003","713.2","0.19","300","2","300","2","","","","","","","","6","P -1","-P 1","2","","","","- C14 H22 Cl2 I6 N4 Pt -","- C14 H22 Cl2 I6 N4 Pt -","- C14 H22 Cl2 I6 N4 Pt -","1","0.5","","Ivanov, Daniil M.; Novikov, Alexander S.; Ananyev, Ivan V.; Kirina, Yulia V.; Kukushkin, Vadim Yu","Halogen bonding between metal centers and halocarbons.","Chemical communications (Cambridge, England)","2016","52","32","5565","5568","10.1039/c6cc01107a","","","0.71073","MoKα","","0.0584","0.0348","","","0.0719","0.0792","","","","","","1.04","","","","has coordinates","182609","2020-10-21","18:00:00",""
"7118915","27.646","0.005","27.646","0.005","17.306","0.003","90","","90","","90","","13227","4","107","2","107","2","","","","","","","","5","P -4 21 m","P -4 2ab","113","","","","- C145 H161 Co24 N9 O101 -","- C145 H161 Co24 N9 O101 -","- C290 H322 Co48 N18 O202 -","2","0.25","","Liang, Guang-Ming; Ni, Qing-Ling; Zou, Hua-Hong; Gui, Liu-Cheng; Wang, Xiu-Jian","Rare double spin canting antiferromagnetic behaviours in a [Co24] cluster.","Chemical communications (Cambridge, England)","2016","52","30","5293","5296","10.1039/c6cc00568c","","","0.75","synchrotron","","0.0695","0.0662","","","0.1834","0.1883","","","","","","1.038","","","","has coordinates","182596","2020-10-21","18:00:00",""
"7118916","10.0317","0.0003","12.1017","0.0004","13.3609","0.0004","97.647","0.001","94.311","0.001","95.342","0.001","1594.3","0.09","100","","100","","","","","","","","","4","P -1","-P 1","2","","","","- C38 H36 Cu2 P2 -","- C38 H36 Cu2 P2 -","- C76 H72 Cu4 P4 -","2","1","","Molteni, Roberto; Bertermann, Rüdiger; Edkins, Katharina; Steffen, Andreas","An unexpected transmetalation intermediate: isolation and structural characterization of a solely CH3 bridged di-copper(i) complex.","Chemical communications (Cambridge, England)","2016","52","28","5019","5022","10.1039/c6cc01510g","","x-ray","0.71073","MoKα","","0.0291","0.0247","","","0.0799","0.0916","","","","","","1.0486","","","","has coordinates","181566","2020-10-21","18:00:00",""
"7118917","5.4475","0.0004","12.1951","0.0011","12.2971","0.001","114.682","0.002","98.556","0.002","98.672","0.002","713.13","0.1","100","1","100","1","","","","","","","","5","P -1","-P 1","2","","","","- C16 H13 F3 N2 O -","- C16 H13 F3 N2 O -","- C32 H26 F6 N4 O2 -","2","1","","Tomakinian, Terry; Guillot, Régis; Kouklovsky, Cyrille; Vincent, Guillaume","Synthesis of benzofuro[3,2-b]indoline amines via deamination-interrupted Fischer indolization and their unexpected reactivity towards nucleophiles.","Chemical communications (Cambridge, England)","2016","52","31","5443","5446","10.1039/c6cc00365f","","x-ray","0.71073","MoKα","","0.0627","0.0457","","","0.1127","0.1247","","","","","","1.039","","","","has coordinates","182603","2020-10-21","18:00:00",""
"7118918","9.2208","0.0002","9.2881","0.0002","11.3189","0.0003","92.755","0.001","107.193","0.001","106.506","0.001","878.64","0.04","100","1","100","1","","","","","","","","5","P -1","-P 1","2","","","","- C17 H18 N2 O5 S2 -","- C17 H18 N2 O5 S2 -","- C34 H36 N4 O10 S4 -","2","1","","Tomakinian, Terry; Guillot, Régis; Kouklovsky, Cyrille; Vincent, Guillaume","Synthesis of benzofuro[3,2-b]indoline amines via deamination-interrupted Fischer indolization and their unexpected reactivity towards nucleophiles.","Chemical communications (Cambridge, England)","2016","52","31","5443","5446","10.1039/c6cc00365f","","x-ray","0.71073","MoKα","","0.043","0.0338","","","0.0896","0.0952","","","","","","1.038","","","","has coordinates","182603","2020-10-21","18:00:00",""
"7118919","13.5204","0.0007","12.9163","0.0007","17.273","0.0008","90","","90","","90","","3016.4","0.3","100","1","100","1","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C18 H16 B F2 N O -","- C18 H16 B F2 N O -","- C144 H128 B8 F16 N8 O8 -","8","1","","Tomakinian, Terry; Guillot, Régis; Kouklovsky, Cyrille; Vincent, Guillaume","Synthesis of benzofuro[3,2-b]indoline amines via deamination-interrupted Fischer indolization and their unexpected reactivity towards nucleophiles.","Chemical communications (Cambridge, England)","2016","52","31","5443","5446","10.1039/c6cc00365f","","x-ray","0.71073","MoKα","","0.0842","0.0702","","","0.1805","0.1892","","","","","","1.027","","","","has coordinates","182603","2020-10-21","18:00:00",""
"7118920","21.0329","0.0015","12.5972","0.0009","12.0333","0.0008","90","","90","","90","","3188.3","0.4","100","0.1","100","0.1","","","","","","","","5","P m m a","-P 2a 2a","51","","","","- C17.09 H116.4 Br N O38 -","- C17.0779 H85.3136 Br N4 O38 -","- C34.1558 H170.627 Br2 N8 O76 -","2","0.25","","Muromachi, Sanehiro; Udachin, Konstantin A.; Alavi, Saman; Ohmura, Ryo; Ripmeester, John A.","Selective occupancy of methane by cage symmetry in TBAB ionic clathrate hydrate.","Chemical communications (Cambridge, England)","2016","52","32","5621","5624","10.1039/c6cc00264a","","","0.7107","MoKα","","0.0592","0.0549","","","0.1649","0.167","","","","","","1.175","","","","has coordinates,has disorder","182610","2020-10-21","18:00:00",""
"7118921","11.353","0.007","16.909","0.012","8.235","0.005","90","","90","","90","","1580.9","1.8","296","2","296","2","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- C22 H16 O3 -","- C22 H16 O3 -","- C88 H64 O12 -","4","1","","Mao, Wenbin; Zhu, Chen","Synthesis of highly substituted γ-hydroxybutenolides through the annulation of keto acids with alkynes and subsequent hydroxyl transposition.","Chemical communications (Cambridge, England)","2016","52","30","5269","5272","10.1039/c6cc01554a","","","0.71073","MoKα","","0.0348","0.0315","","","0.075","0.0771","","","","","","1.059","","","","has coordinates","182598","2020-10-21","18:00:00",""
"7118922","15.3088","0.0009","17.993","0.0011","19.4932","0.0012","90","","92.57","0.002","90","","5364","0.6","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C34.5 H25 Cl N2 O2 -","- C34.5 H25 Cl N2 O2 -","- C276 H200 Cl8 N16 O16 -","8","1","","Wang, Huan; Zhang, Zhiyun; Zhou, Haitao; Wang, Tonghai; Su, Jianhua; Tong, Xiaofeng; Tian, He","Cu-catalyzed C-H amination/Ullmann N-arylation domino reaction: a straightforward synthesis of 9,14-diaryl-9,14-dihydrodibenzo[a,c]phenazine.","Chemical communications (Cambridge, England)","2016","52","31","5459","5462","10.1039/c6cc01569g","","","0.71073","MoKα","","0.071","0.0581","","","0.1653","0.178","","","","","","1.019","","","","has coordinates","182604","2020-10-21","18:00:00",""
"7118923","14.0547","0.0018","19.251","0.003","18.41","0.002","90","","90.832","0.003","90","","4980.6","1.1","293","2","293","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C36 H24 N2 -","- C36 H24 N2 -","- C288 H192 N16 -","8","1","","Wang, Huan; Zhang, Zhiyun; Zhou, Haitao; Wang, Tonghai; Su, Jianhua; Tong, Xiaofeng; Tian, He","Cu-catalyzed C-H amination/Ullmann N-arylation domino reaction: a straightforward synthesis of 9,14-diaryl-9,14-dihydrodibenzo[a,c]phenazine.","Chemical communications (Cambridge, England)","2016","52","31","5459","5462","10.1039/c6cc01569g","","","0.71073","MoKα","","0.0549","0.0398","","","0.1038","0.1145","","","","","","1.023","","","","has coordinates","182604","2020-10-21","18:00:00",""
"7118924","11.4684","0.0006","18.005","0.0009","13.845","0.0007","90","","92.989","0.001","90","","2854.9","0.3","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C42 H26 N2 -","- C42 H26 N2 -","- C168 H104 N8 -","4","1","","Wang, Huan; Zhang, Zhiyun; Zhou, Haitao; Wang, Tonghai; Su, Jianhua; Tong, Xiaofeng; Tian, He","Cu-catalyzed C-H amination/Ullmann N-arylation domino reaction: a straightforward synthesis of 9,14-diaryl-9,14-dihydrodibenzo[a,c]phenazine.","Chemical communications (Cambridge, England)","2016","52","31","5459","5462","10.1039/c6cc01569g","","","0.71073","MoKα","","0.0703","0.0486","","","0.1257","0.1407","","","","","","1.023","","","","has coordinates","182604","2020-10-21","18:00:00",""
"7118925","13.67","0.002","10.7087","0.0018","16.477","0.003","90","","98.766","0.004","90","","2383.9","0.7","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C33 H24 N2 -","- C33 H24 N2 -","- C132 H96 N8 -","4","1","","Wang, Huan; Zhang, Zhiyun; Zhou, Haitao; Wang, Tonghai; Su, Jianhua; Tong, Xiaofeng; Tian, He","Cu-catalyzed C-H amination/Ullmann N-arylation domino reaction: a straightforward synthesis of 9,14-diaryl-9,14-dihydrodibenzo[a,c]phenazine.","Chemical communications (Cambridge, England)","2016","52","31","5459","5462","10.1039/c6cc01569g","","","0.71073","MoKα","","0.1028","0.0653","","","0.1363","0.1521","","","","","","1.095","","","","has coordinates","182604","2020-10-21","18:00:00",""
"7118926","7.326","0.005","10.134","0.007","12.489","0.008","80.774","0.011","82.54","0.012","77.77","0.011","890","1","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H19 N O3 S -","- C20 H19 N O3 S -","- C40 H38 N2 O6 S2 -","2","1","","Huang, Hai; Tang, Luning; Liu, Qi; Xi, Yang; He, Guangke; Zhu, Hongjun","Formation of α-chalcogenyl acrylamides through unprecedented chalcogen-mediated metal-free oxyfunctionalization of ynamides with DMSO as an oxidant.","Chemical communications (Cambridge, England)","2016","52","32","5605","5608","10.1039/c5cc10517j","","","0.71073","MoKα","","0.0572","0.0417","","","0.1127","0.1248","","","","","","1.066","","","","has coordinates","182612","2020-10-21","18:00:00",""
"7118927","13.598","0.0008","5.7831","0.0003","14.8716","0.0008","90","","111.469","0.002","90","","1088.34","0.1","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C23 H25 N O3 S -","- C23 H25 N O3 S -","- C46 H50 N2 O6 S2 -","2","1","","Huang, Hai; Tang, Luning; Liu, Qi; Xi, Yang; He, Guangke; Zhu, Hongjun","Formation of α-chalcogenyl acrylamides through unprecedented chalcogen-mediated metal-free oxyfunctionalization of ynamides with DMSO as an oxidant.","Chemical communications (Cambridge, England)","2016","52","32","5605","5608","10.1039/c5cc10517j","","","0.71073","MoKα","","0.0489","0.0429","","","0.1192","0.1234","","","","","","1.053","","","","has coordinates","182612","2020-10-21","18:00:00",""
"7118928","12.8698","0.0016","13.262","0.0015","15.0271","0.0018","90","","92.583","0.004","90","","2562.2","0.5","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C27 H29 N O3 S2 -","- C27 H29 N O3 S2 -","- C108 H116 N4 O12 S8 -","4","1","","Huang, Hai; Tang, Luning; Liu, Qi; Xi, Yang; He, Guangke; Zhu, Hongjun","Formation of α-chalcogenyl acrylamides through unprecedented chalcogen-mediated metal-free oxyfunctionalization of ynamides with DMSO as an oxidant.","Chemical communications (Cambridge, England)","2016","52","32","5605","5608","10.1039/c5cc10517j","","","0.71073","MoKα","","0.0837","0.0596","","","0.1564","0.1731","","","","","","1.028","","","","has coordinates","182612","2020-10-21","18:00:00",""
"7118929","17.1168","0.0003","17.1168","0.0003","17.1168","0.0003","90","","90","","90","","5014.96","0.15","293","2","293","2","","","","","","","","5","I -4 3 m","I -4 2 3","217","","","","- C4 H6 N8 O0 Zn -","- C4 H6 N8 Zn -","- C48 H72 N96 Zn12 -","12","0.25","","Tang, Yu-Huan; Wang, Fei; Liu, Jin-Xiu; Zhang, Jian","Diverse tetrahedral tetrazolate frameworks with N-rich surface.","Chemical communications (Cambridge, England)","2016","52","32","5625","5628","10.1039/c6cc00589f","","","0.71073","MoKα","","0.0454","0.0389","","","0.0952","0.1016","","","","","","0.973","","","","has coordinates","182613","2020-10-21","18:00:00",""
"7118930","17.0293","0.0004","17.0293","0.0004","17.0293","0.0004","90","","90","","90","","4938.4","0.2","293","2","293","2","","","","","","","","5","I -4 3 m","I -4 2 3","217","","","","- C4 H6 N8 O0 Zn -","- C4 H6 N8 Zn -","- C48 H72 N96 Zn12 -","12","0.25","","Tang, Yu-Huan; Wang, Fei; Liu, Jin-Xiu; Zhang, Jian","Diverse tetrahedral tetrazolate frameworks with N-rich surface.","Chemical communications (Cambridge, England)","2016","52","32","5625","5628","10.1039/c6cc00589f","","","0.71073","MoKα","","0.0548","0.0479","","","0.1064","0.1128","","","","","","1.013","","","","has coordinates","182613","2020-10-21","18:00:00",""
"7118931","15.7886","0.0013","15.9425","0.0009","16.3286","0.0007","90","","90","","90","","4110.1","0.4","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C18 H45 N15 O8 S2 Zn2 -","- C18 H45 N15 O8 S2 Zn2 -","- C72 H180 N60 O32 S8 Zn8 -","4","1","","Tang, Yu-Huan; Wang, Fei; Liu, Jin-Xiu; Zhang, Jian","Diverse tetrahedral tetrazolate frameworks with N-rich surface.","Chemical communications (Cambridge, England)","2016","52","32","5625","5628","10.1039/c6cc00589f","","","0.71073","MoKα","","0.1086","0.0793","","","0.1912","0.2203","","","","","","0.999","","","","has coordinates","182613","2020-10-21","18:00:00",""
"7118932","22.3819","0.0003","22.3819","0.0003","22.3819","0.0003","90","","90","","90","","11212.2","0.3","293","2","","","","","","","","","","7","I -4 3 d","I -4bd 2c 3","220","","","","- C24 H52 B3 F12 N48 O8 Zn7 -","- C24 H51.9998 B3 F12 N48 O8 Zn7 -","- C96 H207.999 B12 F48 N192 O32 Zn28 -","4","0.0833333","","Tang, Yu-Huan; Wang, Fei; Liu, Jin-Xiu; Zhang, Jian","Diverse tetrahedral tetrazolate frameworks with N-rich surface.","Chemical communications (Cambridge, England)","2016","52","32","5625","5628","10.1039/c6cc00589f","","","0.71073","MoKα","","0.0886","0.0877","","","0.2665","0.2706","","","","","","1.2923","","","","has coordinates","278046","2022-09-21","15:45:42",""
"7118933","6.211","0.003","40.769","0.017","9.646","0.004","90","","96.104","0.007","90","","2428.7","1.8","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","NIT-2-Pm","","","- C11 H15 N4 O2 -","- C11 H15 N4 O2 -","- C88 H120 N32 O16 -","8","2","","Wang, Jian; Li, Jia-Nan; Zhang, Shao-Liang; Zhao, Xin-Hua; Shao, Dong; Wang, Xin-Yi","Syntheses and magnetic properties of a pyrimidyl-substituted nitronyl nitroxide radical and its cobalt(ii) complexes.","Chemical communications (Cambridge, England)","2016","52","28","5033","5036","10.1039/c6cc00915h","","","0.71073","MoKα","","0.1756","0.0719","","","0.1658","0.2113","","","","","","0.94","","","","has coordinates","181570","2020-10-21","18:00:00",""
"7118934","14.967","0.003","15.106","0.003","15.938","0.003","69.812","0.002","62.763","0.002","66.38","0.002","2877.1","1","173","2","173","2","","","","","","","","6","P -1","-P 1","2","(NIT-2-Pm)Co(hfac)2","","","- C21 H19 Co F12 N4 O6 -","- C21 H19 Co F12 N4 O6 -","- C84 H76 Co4 F48 N16 O24 -","4","2","","Wang, Jian; Li, Jia-Nan; Zhang, Shao-Liang; Zhao, Xin-Hua; Shao, Dong; Wang, Xin-Yi","Syntheses and magnetic properties of a pyrimidyl-substituted nitronyl nitroxide radical and its cobalt(ii) complexes.","Chemical communications (Cambridge, England)","2016","52","28","5033","5036","10.1039/c6cc00915h","","","0.71073","MoKα","","0.1056","0.0768","","","0.2426","0.2769","","","","","","1.054","","","","has coordinates","181570","2020-10-21","18:00:00",""
"7118935","12.6019","0.0007","20.7451","0.0012","17.6713","0.0011","90","","104.665","0.001","90","","4469.3","0.5","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","(NIT-2-Pm)Co2(hfac)4","","","- C31 H23 Co2 F24 N4 O10 -","- C31 H23 Co2 F24 N4 O10 -","- C124 H92 Co8 F96 N16 O40 -","4","1","","Wang, Jian; Li, Jia-Nan; Zhang, Shao-Liang; Zhao, Xin-Hua; Shao, Dong; Wang, Xin-Yi","Syntheses and magnetic properties of a pyrimidyl-substituted nitronyl nitroxide radical and its cobalt(ii) complexes.","Chemical communications (Cambridge, England)","2016","52","28","5033","5036","10.1039/c6cc00915h","","","0.71073","MoKα","","0.0814","0.0624","","","0.1921","0.21","","","","","","1.058","","","","has coordinates","181570","2020-10-21","18:00:00",""
"7118936","9.7416","0.0016","10.1024","0.0017","16.6","0.003","92.408","0.004","106.474","0.004","105.593","0.004","1496.5","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C36 H40 B N O2 -","- C36 H40 B N O2 -","- C72 H80 B2 N2 O4 -","2","1","","Jiang, Han-Chun; Tang, Xiang-Ying; Shi, Min","Copper-catalyzed regio- and enantioselective aminoboration of alkylidenecyclopropanes: the synthesis of cyclopropane-containing β-aminoalkylboranes.","Chemical communications (Cambridge, England)","2016","52","30","5273","5276","10.1039/c6cc01631f","","","0.71073","MoKα","","0.0842","0.0569","","","0.1388","0.1557","","","","","","1.02","","","","has coordinates","206958","2020-10-21","18:00:00",""
"7118937","10.5305","0.0018","11.491","0.002","13.29","0.002","68.577","0.004","71.096","0.003","63.363","0.003","1313.1","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H36 B N O2 -","- C30 H36 B N O2 -","- C60 H72 B2 N2 O4 -","2","1","","Jiang, Han-Chun; Tang, Xiang-Ying; Shi, Min","Copper-catalyzed regio- and enantioselective aminoboration of alkylidenecyclopropanes: the synthesis of cyclopropane-containing β-aminoalkylboranes.","Chemical communications (Cambridge, England)","2016","52","30","5273","5276","10.1039/c6cc01631f","","","0.71073","MoKα","","0.0765","0.0569","","","0.1475","0.1631","","","","","","1.049","","","","has coordinates,has disorder","182599","2020-10-21","18:00:00",""
"7118938","11.3403","0.0003","11.3403","0.0003","15.1182","0.0005","90","","90","","120","","1683.76","0.08","173","2","173","2","","","","","","","","5","P -3","-P 3","147","","","","- C18 H48 Li3 N6 P7 -","- C18 H48 Li3 N6 P7 -","- C36 H96 Li6 N12 P14 -","2","0.333333","","Bhattacharyya, Koyel X.; Dreyfuss, Sébastien; Saffon-Merceron, Nathalie; Mézailles, Nicolas","P4 functionalization by hydrides: direct synthesis of P-H bonds.","Chemical communications (Cambridge, England)","2016","52","29","5179","5182","10.1039/c6cc01683a","","","0.71073","MoKα","","0.0634","0.0445","","","0.105","0.1151","","","","","","1.065","","","","has coordinates","181563","2020-10-21","18:00:00",""
"7118939","8.8161","0.0004","13.0764","0.0006","29.5577","0.0014","90","","94.937","0.002","90","","3394.9","0.3","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","IP60precipitado","","- C50 H32 O2 -","- C50 H32 O2 -","- C200 H128 O8 -","4","1","","Pozo, Iago; Cobas, Agustín; Peña, Diego; Guitián, Enrique; Pérez, Dolores","1,7-Naphthodiyne: a new platform for the synthesis of novel, sterically congested PAHs.","Chemical communications (Cambridge, England)","2016","52","32","5534","5537","10.1039/c6cc01214k","","x-ray","0.71073","MoKα","","0.0625","0.0457","","","0.109","0.1194","","","","","","1.021","","","","has coordinates","182614","2020-10-21","18:00:00",""
"7118940","14.0105","0.0005","13.0164","0.0005","16.1008","0.0006","90","","102.591","0.002","90","","2865.63","0.19","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","IP101F2_B","","- C39 H25 Cl3 -","- C39 H25 Cl3 -","- C156 H100 Cl12 -","4","1","","Pozo, Iago; Cobas, Agustín; Peña, Diego; Guitián, Enrique; Pérez, Dolores","1,7-Naphthodiyne: a new platform for the synthesis of novel, sterically congested PAHs.","Chemical communications (Cambridge, England)","2016","52","32","5534","5537","10.1039/c6cc01214k","","x-ray","0.71073","MoKα","","0.0821","0.0476","","","0.097","0.1102","","","","","","1.044","","","","has coordinates,has disorder","182614","2020-10-21","18:00:00",""
"7118941","16.526","0.002","9.874","0.002","18.038","0.003","90","","115.24","0.02","90","","2662.4","0.9","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C27 H43 Li N4 -","- C27 H43 Li N4 -","- C108 H172 Li4 N16 -","4","1","","Finkelmeier, Nils; Visscher, Arne; Wandtke, Sebastian; Herbst-Irmer, Regine; Stalke, Dietmar","CH3-deprotonation of 9-methylanthracene under mild conditions.","Chemical communications (Cambridge, England)","2016","52","31","5440","5442","10.1039/c6cc01261b","","","0.71073","MoKα","","0.1732","0.0839","","","0.1691","0.2106","","","","","","1.06","","","","has coordinates,has disorder","182601","2020-10-21","18:00:00",""
"7118942","9.486","0.002","34.841","0.003","19.391","0.002","90","","93.77","0.02","90","","6394.9","1.6","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C69 H98 Li2 N8 -","- C69 H97.997 Li2 N8 -","- C276 H391.988 Li8 N32 -","4","1","","Finkelmeier, Nils; Visscher, Arne; Wandtke, Sebastian; Herbst-Irmer, Regine; Stalke, Dietmar","CH3-deprotonation of 9-methylanthracene under mild conditions.","Chemical communications (Cambridge, England)","2016","52","31","5440","5442","10.1039/c6cc01261b","","","0.71073","MoKα","","0.0703","0.0545","","","0.1466","0.1595","","","","","","1.032","","","","has coordinates,has disorder","182601","2020-10-21","18:00:00",""
"7118943","6.4272","0.0001","11.7684","0.0002","18.3674","0.0004","90","","90","","90","","1389.27","0.04","200","2","200","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H14 N2 O -","- C16 H14 N2 O -","- C64 H56 N8 O4 -","4","1","","Laugeois, Maxime; Ponra, Sudipta; Ratovelomanana-Vidal, Virginie; Michelet, Véronique; Vitale, Maxime R.","Asymmetric preparation of polysubstituted cyclopentanes by synergistic Pd(0)/amine catalyzed formal [3+2] cycloadditions of vinyl cyclopropanes with enals.","Chemical communications (Cambridge, England)","2016","52","30","5332","5335","10.1039/c6cc01775d","","","1.54178","CuKα","","0.0289","0.0278","","","0.0737","0.0746","","","","","","1.068","","","","has coordinates","182595","2020-10-21","18:00:00",""
"7118944","9.0535","0.0002","7.4148","0.0002","10.4203","0.0003","90","","104.406","0.001","90","","677.52","0.03","200","2","200","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C16 H14 N2 O -","- C16 H14 N2 O -","- C32 H28 N4 O2 -","2","1","","Laugeois, Maxime; Ponra, Sudipta; Ratovelomanana-Vidal, Virginie; Michelet, Véronique; Vitale, Maxime R.","Asymmetric preparation of polysubstituted cyclopentanes by synergistic Pd(0)/amine catalyzed formal [3+2] cycloadditions of vinyl cyclopropanes with enals.","Chemical communications (Cambridge, England)","2016","52","30","5332","5335","10.1039/c6cc01775d","","","1.54178","CuKα","","0.0255","0.0253","","","0.0644","0.0646","","","","","","1.138","","","","has coordinates","182595","2020-10-21","18:00:00",""
"7118945","6.9841","0.0007","12.5978","0.0013","15.735","0.0016","90","","97.885","0.006","90","","1371.3","0.2","200","2","200","2","","","","","","","","4","P 1 21 1","P 2yb","4","","(1S,5R,6R,8S)-2-imino-8-phenyl-6-vinyl-3-oxabicyclo[3.2.1]octane-1-carbonitrile","","- C16 H16 N2 O -","- C16 H16 N2 O -","- C64 H64 N8 O4 -","4","2","","Laugeois, Maxime; Ponra, Sudipta; Ratovelomanana-Vidal, Virginie; Michelet, Véronique; Vitale, Maxime R.","Asymmetric preparation of polysubstituted cyclopentanes by synergistic Pd(0)/amine catalyzed formal [3+2] cycloadditions of vinyl cyclopropanes with enals.","Chemical communications (Cambridge, England)","2016","52","30","5332","5335","10.1039/c6cc01775d","","","1.54178","CuKα","","0.0998","0.0772","","","0.2313","0.2498","","","","","","1.091","","","","has coordinates","182595","2020-10-21","18:00:00",""
"7118946","16.698","0.003","5.9368","0.001","15.65","0.003","90","","97.783","0.006","90","","1537.1","0.5","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H15 N O3 -","- C20 H15 N O3 -","- C80 H60 N4 O12 -","4","1","","Rathore, Kuldeep Singh; Lad, Bapurao Sudam; Chennamsetti, Haribabu; Katukojvala, Sreenivas","An unprecedented benzannulation of oxindoles with enalcarbenoids: a regioselective approach to functionalized carbazoles.","Chemical communications (Cambridge, England)","2016","52","34","5812","5815","10.1039/c5cc10637k","","","0.71073","MoKα","","0.172","0.0586","","","0.0992","0.1254","","","","","","1.011","","","","has coordinates","288505","2023-12-22","15:12:04",""
"7118947","6.977","0.0005","8.8337","0.0006","14.5708","0.0011","93.367","0.003","102.682","0.003","108.417","0.002","823.26","0.1","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H14 Cl N O3 -","- C20 H14 Cl N O3 -","- C40 H28 Cl2 N2 O6 -","2","1","","Rathore, Kuldeep Singh; Lad, Bapurao Sudam; Chennamsetti, Haribabu; Katukojvala, Sreenivas","An unprecedented benzannulation of oxindoles with enalcarbenoids: a regioselective approach to functionalized carbazoles.","Chemical communications (Cambridge, England)","2016","52","34","5812","5815","10.1039/c5cc10637k","","","0.71073","MoKα","","0.072","0.0592","","","0.1582","0.1683","","","","","","1.05","","","","has coordinates","288505","2023-12-22","15:12:04",""
"7118948","16.024","0.005","15.055","0.004","6.3189","0.0018","90","","101.11","0.009","90","","1495.8","0.7","294","2","294","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H12 Cl N O2 -","- C19 H12 Cl N O2 -","- C76 H48 Cl4 N4 O8 -","4","1","","Rathore, Kuldeep Singh; Lad, Bapurao Sudam; Chennamsetti, Haribabu; Katukojvala, Sreenivas","An unprecedented benzannulation of oxindoles with enalcarbenoids: a regioselective approach to functionalized carbazoles.","Chemical communications (Cambridge, England)","2016","52","34","5812","5815","10.1039/c5cc10637k","","","0.71073","MoKα","","0.233","0.0675","","","0.1006","0.1357","","","","","","0.908","","","","has coordinates","288505","2023-12-22","15:12:04",""
"7118949","21.845","0.003","16.43","0.002","20.014","0.003","90","","107.937","0.002","90","","6834.2","1.6","187","2","187","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C113 H38 N2 O2 S2 -","- C113 H38 N2 O2 S2 -","- C452 H152 N8 O8 S8 -","4","0.5","","Li, Shu-Hui; Li, Zong-Jun; Nakagawa, Takafumi; Jeon, Il; Ju, Zheng; Matsuo, Yutaka; Gao, Xiang","Multifunctionalization of C70 at the two polar regions with a high regioselectivity via oxazolination and benzylation reactions.","Chemical communications (Cambridge, England)","2016","52","33","5710","5713","10.1039/c6cc00997b","","","0.71073","MoKα","","0.1549","0.0817","","","0.1779","0.2145","","","","","","1.039","","","","has coordinates","182608","2020-10-21","18:00:00",""
"7118950","14.6162","0.0011","16.3774","0.0008","12.5927","0.0011","90","","90","","90","","3014.4","0.4","293","2","293","2","","","","","","","","6","P n n a","-P 2a 2bc","52","","","","- C28 H20 Br2 Co N4 O4 -","- C28 H20 Br2 Co N4 O4 -","- C112 H80 Br8 Co4 N16 O16 -","4","0.5","","Zhang, Hai-Rong; Huang, Ke-Bin; Chen, Zhen-Feng; Liu, Yan-Cheng; Liu, You-Nian; Meng, Ting; Qin, Qi-Pin; Zou, Bi-Qun; Liang, Hong","Cobalt(ii) 8-hydroxyquinoline complexes: structure, cytotoxicity and action mechanism","Med. Chem. Commun.","2016","7","5","806","","10.1039/C6MD00073H","","","0.7107","MoKα","","0.1571","0.0934","","","0.2749","0.336","","","","","","1.048","","","","has coordinates,has disorder","183716","2020-10-21","18:00:00",""
"7118951","17.88","0.004","13.11","0.003","14.44","0.003","90","","112.47","0.03","90","","3127.9","1.4","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C32 H32 Co N6 O8 -","- C32 H24 Co N6 O8 -","- C128 H96 Co4 N24 O32 -","4","0.5","","Zhang, Hai-Rong; Huang, Ke-Bin; Chen, Zhen-Feng; Liu, Yan-Cheng; Liu, You-Nian; Meng, Ting; Qin, Qi-Pin; Zou, Bi-Qun; Liang, Hong","Cobalt(ii) 8-hydroxyquinoline complexes: structure, cytotoxicity and action mechanism","Med. Chem. Commun.","2016","7","5","806","","10.1039/C6MD00073H","","","0.71073","MoKα","","0.1138","0.0943","","","0.248","0.2596","","","","","","1.155","","","","has coordinates","183716","2020-10-21","18:00:00",""
"7118952","17.9171","0.0008","17.9171","0.0008","17.1784","0.0008","90","","90","","90","","5514.7","0.4","293","2","293","2","","","","","","","","5","P 4/n n c","-P 4a 2bc","126","","","","- C32 H24 Co N6 O4.25 -","- C32 H24 Co N6 O4.25 -","- C256 H192 Co8 N48 O34 -","8","","","Zhang, Hai-Rong; Huang, Ke-Bin; Chen, Zhen-Feng; Liu, Yan-Cheng; Liu, You-Nian; Meng, Ting; Qin, Qi-Pin; Zou, Bi-Qun; Liang, Hong","Cobalt(ii) 8-hydroxyquinoline complexes: structure, cytotoxicity and action mechanism","Med. Chem. Commun.","2016","7","5","806","","10.1039/C6MD00073H","","","0.71073","MoKα","","0.1187","0.0793","","","0.2405","0.2728","","","","","","1.054","","","","has coordinates","183716","2020-10-21","18:00:00",""
"7118953","11.9747","0.0009","15.8152","0.0006","14.1457","0.001","90","","114.424","0.009","90","","2439.2","0.3","293","2","296.15","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C25 H24 N6 O6 Zn -","- C25 H24 N6 O6 Zn -","- C100 H96 N24 O24 Zn4 -","4","0.5","","Zou, Hua-Hong; Wei, Jun-Guang; Qin, Xiao-Huan; Mo, Shun-Gui; Qin, Qi-Pin; Liu, Yan-Cheng; Liang, Fu-Pei; Zhang, Yun-Liang; Chen, Zhen-Feng","Synthesis, crystal structure, cytotoxicity and action mechanism of Zn(ii) and Mn(ii) complexes with 4-([2,2′:6′,2′′-terpyridin]-4′-yl)-N,N-diethylaniline as a ligand","Med. Chem. Commun.","2016","7","6","1132","","10.1039/C6MD00098C","","x-ray","0.71073","MoKα","","0.0653","0.0529","","","0.13","0.1467","","","","","","1.0081","","","","has coordinates","183715","2020-10-21","18:00:00",""
"7118954","19.0394","0.0004","15.14","0.0004","17.3328","0.0005","90","","108.185","0.002","90","","4746.7","0.2","293","2","296.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C50 H48 Cl2 Mn N8 O8 -","- C50 H48 Cl2 Mn N8 O8 -","- C200 H192 Cl8 Mn4 N32 O32 -","4","1","","Zou, Hua-Hong; Wei, Jun-Guang; Qin, Xiao-Huan; Mo, Shun-Gui; Qin, Qi-Pin; Liu, Yan-Cheng; Liang, Fu-Pei; Zhang, Yun-Liang; Chen, Zhen-Feng","Synthesis, crystal structure, cytotoxicity and action mechanism of Zn(ii) and Mn(ii) complexes with 4-([2,2′:6′,2′′-terpyridin]-4′-yl)-N,N-diethylaniline as a ligand","Med. Chem. Commun.","2016","7","6","1132","","10.1039/C6MD00098C","","x-ray","0.71073","MoKα","","0.0924","0.0672","","","0.1939","0.223","","","","","","1.0801","","","","has coordinates","183715","2020-10-21","18:00:00",""
"7118955","16.2461","0.0006","7.5152","0.0003","14.1846","0.0005","90","","97.938","0.003","90","","1715.24","0.11","130","2","130","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C10 H8 Au2 Cl6 N2 -","- C10 H8 Au2 Cl6 N2 -","- C40 H32 Au8 Cl24 N8 -","4","0.5","","Glišić, Biljana Đ.; Savić, Nada D.; Warżajtis, Beata; Djokic, Lidija; Ilic-Tomic, Tatjana; Antić, Marija; Radenković, Slavko; Nikodinovic-Runic, Jasmina; Rychlewska, Urszula; Djuran, Miloš I.","Synthesis, structural characterization and biological evaluation of dinuclear gold(iii) complexes with aromatic nitrogen-containing ligands: antimicrobial activity in relation to the complex nuclearity","Med. Chem. Commun.","2016","7","7","1356","","10.1039/C6MD00214E","","","0.71073","MoKα","","0.0221","0.0194","","","0.0478","0.0487","","","","","","1.197","","","","has coordinates","185561","2020-10-21","18:00:00",""
"7118956","10.7433","0.0007","12.853","0.0007","14.532","0.0005","97.587","0.004","90.559","0.004","100.953","0.005","1951.58","0.18","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C19 H19 Cl2 N3 O V -","- C19 H19 Cl2 N3 O V -","- C76 H76 Cl8 N12 O4 V4 -","4","2","","Kumar, Arun; Dixit, Akanksha; Banerjee, Samya; Bhattacharyya, Arnab; Garai, Aditya; Karande, Anjali A.; Chakravarty, Akhil R.","Cellular imaging and mitochondria targeted photo-cytotoxicity in visible light by singlet oxygen using a BODIPY-appended oxovanadium(iv) DNA crosslinking agent","Med. Chem. Commun.","2016","7","7","1398","","10.1039/C6MD00071A","","","0.71073","MoKα","","0.1061","0.0603","","","0.1193","0.1488","","","","","","1.011","","","","has coordinates","185562","2020-10-21","18:00:00",""
"7118957","29.1376","0.0018","15.0037","0.0008","18.0317","0.0012","90","","109.95","0.002","90","","7409.9","0.8","200","2","200","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C76 H68 Cl8 Fe2 N4 O4 P4 Pt -","- C76 H68 Cl8 Fe2 N4 O4 P4 Pt -","- C304 H272 Cl32 Fe8 N16 O16 P16 Pt4 -","4","0.5","","Masaki Ito; Masato Iseki; Masumi Itazaki; Hiroshi Nakazawa","Tetrahedral cage complex with planar vertices: selective synthesis of Pt4L6 cage complexes involving hydrogen bonds driven by halide binding","Chem.Commun.","2016","52","","7205","","","","","0.7107","MoKα","","0.0494","0.0424","","","0.0883","0.0931","","","","","","1.065","","","","has coordinates,has disorder","183167","2020-10-21","18:00:00",""
"7118958","21.3085","0.0007","22.6838","0.0007","31.6313","0.0006","90.2849","0.001","90.4102","0.0006","117.182","0.0013","13599.8","0.7","200","2","200","2","","","","","","","","8","P -1","-P 1","2","","","","- C224 H188 Cl32 Fe6 N12 O12 P12 Pt4 -","- C224 H188 Cl32 Fe6 N12 O12 P12 Pt4 -","- C448 H376 Cl64 Fe12 N24 O24 P24 Pt8 -","2","1","","Masaki Ito; Masato Iseki; Masumi Itazaki; Hiroshi Nakazawa","Tetrahedral cage complex with planar vertices: selective synthesis of Pt4L6 cage complexes involving hydrogen bonds driven by halide binding","Chem.Commun.","2016","52","","7205","","","","","0.71075","MoKα","","0.1003","0.0801","","","0.2359","0.2603","","","","","","1.058","","","","has coordinates","183167","2020-10-21","18:00:00",""
"7118959","21.4683","0.0001","23.594","0.0001","32.9537","0.0008","88.034","0.003","89.129","0.003","65.458","0.002","15174.9","0.5","200","2","200","2","","","","","","","","9","P -1","-P 1","2","","","","- C237 H201 Br8 Cl63 Fe6 N12 O12 P12 Pt4 -","- C224 H188 Br8 Cl24 Fe6 N12 O12 P12 Pt4 -","- C448 H376 Br16 Cl48 Fe12 N24 O24 P24 Pt8 -","2","1","","Masaki Ito; Masato Iseki; Masumi Itazaki; Hiroshi Nakazawa","Tetrahedral cage complex with planar vertices: selective synthesis of Pt4L6 cage complexes involving hydrogen bonds driven by halide binding","Chem.Commun.","2016","52","","7205","","","","","0.71075","MoKα","","0.0823","0.07","","","0.1895","0.2063","","","","","","1.07","","","","has coordinates","183167","2020-10-21","18:00:00",""
"7118960","11.7999","0.0001","12.6886","0.0002","19.4168","0.0002","83.953","0.003","73.888","0.003","87.375","0.002","2777.02","0.07","200","2","200","2","","","","","","","","7","P -1","-P 1","2","","","","- C61 H58 Cl2 N3 O4 P3 Pt -","- C61 H58 Cl2 N3 O4 P3 Pt -","- C122 H116 Cl4 N6 O8 P6 Pt2 -","2","1","","Masaki Ito; Masato Iseki; Masumi Itazaki; Hiroshi Nakazawa","Tetrahedral cage complex with planar vertices: selective synthesis of Pt4L6 cage complexes involving hydrogen bonds driven by halide binding","Chem.Commun.","2016","52","","7205","","","","","0.7107","MoKα","","0.033","0.0301","","","0.0643","0.0675","","","","","","1.101","","","","has coordinates","183167","2020-10-21","18:00:00",""
"7118961","13.7346","0.0013","11.888","0.001","9.9583","0.001","90","","104.743","0.005","90","","1572.4","0.3","200","2","200","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C36 H30 Fe N2 O2 P2 -","- C36 H30 Fe N2 O2 P2 -","- C72 H60 Fe2 N4 O4 P4 -","2","0.5","","Masaki Ito; Masato Iseki; Masumi Itazaki; Hiroshi Nakazawa","Tetrahedral cage complex with planar vertices: selective synthesis of Pt4L6 cage complexes involving hydrogen bonds driven by halide binding","Chem.Commun.","2016","52","","7205","","","","","0.710747","MoKα","","0.06","0.0433","","","0.0924","0.0997","","","","","","1.067","","","","has coordinates","183167","2020-10-21","18:00:00",""
"7118962","3.8289","0.0002","14.522","0.0006","12.2527","0.0005","90","","95.836","0.002","90","","677.76","0.05","110","2","110","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C7 H3 Cl F2 O -","- C7 H3 Cl F2 O -","- C28 H12 Cl4 F8 O4 -","4","1","","Dhananjay Dey; Subhrajyoti Bhandary; Abhishek Sirohiwal; Venkatesha R. Hathwar; Deepak Chopra","'Conformational lock' via unusual intramolecular C-F^...^O[double bond, length as m-dash]C and C-H^...^Cl-C parallel dipoles observed in in situ cryocrystallized liquids","Chem.Commun.","2016","52","","7225","","","","","0.71073","MoKα","","0.0304","0.0277","","","0.0734","0.0763","","","","","","1.089","","","","has coordinates","183168","2020-10-21","18:00:00",""
"7118963","7.4814","0.0004","8.5648","0.0004","10.7372","0.0006","100.231","0.003","95.404","0.003","91.365","0.003","673.48","0.06","110","2","110","2","","","","","","","","5","P -1","-P 1","2","","","","- C7 H3 Cl F2 O -","- C7 H3 Cl F2 O -","- C28 H12 Cl4 F8 O4 -","4","2","","Dhananjay Dey; Subhrajyoti Bhandary; Abhishek Sirohiwal; Venkatesha R. Hathwar; Deepak Chopra","'Conformational lock' via unusual intramolecular C-F^...^O[double bond, length as m-dash]C and C-H^...^Cl-C parallel dipoles observed in in situ cryocrystallized liquids","Chem.Commun.","2016","52","","7225","","","","","0.71073","MoKα","","0.0375","0.0345","","","0.0964","0.0992","","","","","","1.099","","","","has coordinates","183168","2020-10-21","18:00:00",""
"7118964","7.4388","0.0002","15.7661","0.0003","11.8282","0.0002","90","","93.597","0.001","90","","1384.49","0.05","110","2","110","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C7 H3 Cl F2 O -","- C7 H3 Cl F2 O -","- C56 H24 Cl8 F16 O8 -","8","2","","Dhananjay Dey; Subhrajyoti Bhandary; Abhishek Sirohiwal; Venkatesha R. Hathwar; Deepak Chopra","'Conformational lock' via unusual intramolecular C-F^...^O[double bond, length as m-dash]C and C-H^...^Cl-C parallel dipoles observed in in situ cryocrystallized liquids","Chem.Commun.","2016","52","","7225","","","","","0.71073","MoKα","","0.0275","0.0262","","","0.0658","0.0672","","","","","","1.032","","","","has coordinates","183168","2020-10-21","18:00:00",""
"7118965","13.8205","0.0006","12.5452","0.0006","3.8197","0.0002","90","","90","","90","","662.26","0.06","110","2","110","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C7 H4 Cl F O -","- C7 H4 Cl F O -","- C28 H16 Cl4 F4 O4 -","4","1","","Dhananjay Dey; Subhrajyoti Bhandary; Abhishek Sirohiwal; Venkatesha R. Hathwar; Deepak Chopra","'Conformational lock' via unusual intramolecular C-F^...^O[double bond, length as m-dash]C and C-H^...^Cl-C parallel dipoles observed in in situ cryocrystallized liquids","Chem.Commun.","2016","52","","7225","","","","","0.71073","MoKα","","0.0323","0.0268","","","0.0601","0.0673","","","","","","1.096","","","","has coordinates","183168","2020-10-21","18:00:00",""
"7118966","7.4704","0.0005","3.9581","0.0002","22.3439","0.0012","90","","93.566","0.003","90","","659.4","0.07","200","2","200","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C7 H5 Cl O -","- C7 H5 Cl O -","- C28 H20 Cl4 O4 -","4","1","","Dhananjay Dey; Subhrajyoti Bhandary; Abhishek Sirohiwal; Venkatesha R. Hathwar; Deepak Chopra","'Conformational lock' via unusual intramolecular C-F^...^O[double bond, length as m-dash]C and C-H^...^Cl-C parallel dipoles observed in in situ cryocrystallized liquids","Chem.Commun.","2016","52","","7225","","","","","0.71073","MoKα","","0.0559","0.0514","","","0.1507","0.1544","","","","","","1.112","","","","has coordinates","183168","2020-10-21","18:00:00",""
"7118967","6.859","0.0001","7.2006","0.0001","8.0365","0.0001","94.613","0.001","104.275","0.001","115.906","0.001","337.85","0.009","140","2","140","2","","","","","","","","5","P -1","-P 1","2","","","","- C7 H3 Cl F2 O -","- C7 H3 Cl F2 O -","- C14 H6 Cl2 F4 O2 -","2","1","","Dhananjay Dey; Subhrajyoti Bhandary; Abhishek Sirohiwal; Venkatesha R. Hathwar; Deepak Chopra","'Conformational lock' via unusual intramolecular C-F^...^O[double bond, length as m-dash]C and C-H^...^Cl-C parallel dipoles observed in in situ cryocrystallized liquids","Chem.Commun.","2016","52","","7225","","","","","0.71073","MoKα","","0.0258","0.0254","","","0.0723","0.0726","","","","","","1.158","","","","has coordinates","183168","2020-10-21","18:00:00",""
"7118968","12.3","0.005","19.75","0.005","24.63","0.005","90","","95.3","0.08","90","","5958","3","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","1-op","[Mn2(Gd-H-DOTA-4AmP)(H2O)7].21H2O","","- C20 H37 Gd Mn2 N8 O44 P4 -","- C20 H37 Gd Mn2 N8 O44 P4 -","- C80 H148 Gd4 Mn8 N32 O176 P16 -","4","1","","Javier Arinez-Soriano; Jorge Albalad; Christian Vila-Parrondo; Javier Perez-Carvajal; Sabina Rodriguez-Hermida; Aurelio Cabeza; Jordi Juanhuix; Inhar Imaz; Daniel Maspoch","Single-crystal and humidity-controlled powder diffraction study of the breathing effect in a metal-organic framework upon water adsorption/desorption","Chem.Commun.","2016","52","","7229","","10.1039/C6CC02908F","","","0.88557","synchrotron","","0.0909","0.0876","","","0.2453","0.2481","","","","","","1.08","","","","has coordinates","192149","2020-10-21","18:00:00",""
"7118969","26.09","0.005","14.51","0.005","12.2","0.005","90","0.005","110.19","0.005","90","0.005","4335","2","150","2","150","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C20 H37 Gd Mn2 N8 O28 P4 -","- C20 H37 Gd Mn2 N8 O28 P4 -","- C80 H148 Gd4 Mn8 N32 O112 P16 -","4","0.5","","Javier Arinez-Soriano; Jorge Albalad; Christian Vila-Parrondo; Javier Perez-Carvajal; Sabina Rodriguez-Hermida; Aurelio Cabeza; Jordi Juanhuix; Inhar Imaz; Daniel Maspoch","Single-crystal and humidity-controlled powder diffraction study of the breathing effect in a metal-organic framework upon water adsorption/desorption","Chem.Commun.","2016","52","","7229","","10.1039/C6CC02908F","","","0.82653","synchrotronradiation","","0.1811","0.1361","","","0.2858","0.3221","","","","","","0.904","","","","has coordinates","192149","2020-10-21","18:00:00",""
"7118970","13.5064","0.0008","5.8689","0.0004","17.8643","0.0015","90","","102.617","0.007","90","","1381.87","0.17","273.77","0.1","273.77","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C30 H40 O4 S -","- C30 H39 O4 S -","- C60 H78 O8 S2 -","2","1","","Congde Huo; Yajun Wang; Yong Yuan; Fengjuan Chen; Jing Tang","Auto-oxidative hydroxysulfenylation of alkenes","Chem.Commun.","2016","52","","7233","","","","x-ray","1.54184","CuKα","","0.1102","0.0628","","","0.1419","0.1783","","","","","","0.996","","","","has coordinates,has disorder","183170","2020-10-21","18:00:00",""
"7118971","11.8093","0.0003","10.6449","0.0003","10.6262","0.0003","90","","91.185","0.003","90","","1335.52","0.06","190","","190","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","2-Nitro-5-(pentafluorosulfanyl)-N-phenylaniline","","- C12 H9 F5 N2 O2 S -","- C12 H9 F5 N2 O2 S -","- C48 H36 F20 N8 O8 S4 -","4","1","","V. V. Khutorianskyi; M. Sonawane; M. Posta; B. Klepetarova; P. Beier","Oxidative nucleophilic aromatic amination of nitrobenzenes","Chem.Commun.","2016","52","","7237","","","","x-ray","1.54184","CuKα","","0.0447","0.0404","","0.0609","0.0538","0.0538","","","","","","1.0328","","","","has coordinates","183171","2020-10-21","18:00:00",""
"7118972","32.27","","18.631","0.004","23.512","0.003","90","","117.225","0.007","90","","12570","3","300","2","300","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C51 H23 Cu6 N3 O33 -","- C51 H23 Cu6 N3 O33 -","- C204 H92 Cu24 N12 O132 -","4","0.5","","Mingxing Zhang; Bin Li; Yunzhi Li; Qian Wang; Wenwei Zhang; Banglin Chen; Shuhua Li; Yi Pan; Xiaozeng You; Junfeng Bai","Finely tuning MOFs towards high performance in C2H2 storage: synthesis and properties of a new MOF-505 analogue with an inserted amide functional group","Chem.Commun.","2016","52","","7241","","10.1039/C6CC03198F","","","0.71073","MoKα","","0.2204","0.1619","","","0.4197","0.4466","","","","","","1.044","","","","has coordinates,has disorder","190334","2020-10-21","18:00:00",""
"7118973","19.8378","0.0016","9.3737","0.0008","13.4463","0.0012","90","","90","","90","","2500.4","0.4","293","2","293","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C26 H28 N2 O6 S -","- C26 H28 N2 O6 S -","- C104 H112 N8 O24 S4 -","4","1","","Peng-Long Zhu; Xiang-Ying Tang; Min Shi","Intramolecular cyclizations of cyclopropenes with indole","Chem.Commun.","2016","52","","7245","","","","","0.71073","MoKα","","0.0542","0.0417","","","0.0989","0.1055","","","","","","1.018","","","","has coordinates","183173","2020-10-21","18:00:00",""
"7118974","9.9556","0.0015","14.589","0.002","18.274","0.003","81.682","0.003","76.959","0.004","88.485","0.004","2558.4","0.7","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C26 H27 F3 N2 O4 S -","- C26 H27 F3 N2 O4 S -","- C104 H108 F12 N8 O16 S4 -","4","2","","Peng-Long Zhu; Xiang-Ying Tang; Min Shi","Intramolecular cyclizations of cyclopropenes with indole","Chem.Commun.","2016","52","","7245","","","","","0.71073","MoKα","","0.13","0.0645","","","0.1423","0.1746","","","","","","0.99","","","","has coordinates,has disorder","183173","2020-10-21","18:00:00",""
"7118975","12.3454","0.0009","8.661","0.0006","22.8626","0.0016","90","","90","","90","","2444.5","0.3","130","","130","","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C28 H26 N2 O4 S -","- C28 H26 N2 O4 S -","- C112 H104 N8 O16 S4 -","4","1","","Peng-Long Zhu; Xiang-Ying Tang; Min Shi","Intramolecular cyclizations of cyclopropenes with indole","Chem.Commun.","2016","52","","7245","","","","","0.71073","MoKα","","0.0522","0.0411","","","0.0916","0.0978","","","","","","1.014","","","","has coordinates","183173","2020-10-21","18:00:00",""
"7118976","14.3817","0.0015","10.8082","0.0011","19.0025","0.0018","90","","109.283","0.002","90","","2788","0.5","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C30 H27 N3 O8 S -","- C30 H27 N3 O8 S -","- C120 H108 N12 O32 S4 -","4","1","","Peng-Long Zhu; Xiang-Ying Tang; Min Shi","Intramolecular cyclizations of cyclopropenes with indole","Chem.Commun.","2016","52","","7245","","","","","0.71073","MoKα","","0.0682","0.0486","","","0.1209","0.1326","","","","","","1.028","","","","has coordinates","183173","2020-10-21","18:00:00",""
"7118977","9.3636","0.0017","10.8898","0.0019","12.521","0.002","99.75","0.004","95.533","0.004","107.818","0.004","1182.9","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H25 N3 O5 S -","- C26 H25 N3 O5 S -","- C52 H50 N6 O10 S2 -","2","1","","Peng-Long Zhu; Xiang-Ying Tang; Min Shi","Intramolecular cyclizations of cyclopropenes with indole","Chem.Commun.","2016","52","","7245","","","","","0.71073","MoKα","","0.0673","0.0514","","","0.1292","0.1405","","","","","","1.028","","","","has coordinates","183173","2020-10-21","18:00:00",""
"7118978","7.235","0.0009","27.116","0.004","50.042","0.006","90","","92.752","0.006","90","","9806","2","153","2","153","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","TCA","","","- C21 H15 N O6 -","- C21 H15 N O6 -","- C336 H240 N16 O96 -","16","4","","Nandi, Shyamapada; Chakraborty, Debanjan; Vaidhyanathan, Ramanathan","A permanently porous single molecule H-bonded organic framework for selective CO2 capture","Chemical Communications (Cambridge, United Kingdom)","2016","52","45","7249","7252","10.1039/c6cc02964g","","","1.54178","CuKα","","0.1716","0.0926","","","0.2563","0.3048","","","","","","1.059","","","","has coordinates","210753","2020-10-21","18:00:00",""
"7118979","7.235","0.0009","27.116","0.004","50.042","0.006","90","","92.752","0.006","90","","9806","2","153","2","153","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","TCA","","","- C21 H15 N O6 -","- C21 H15 N O6 -","- C336 H240 N16 O96 -","16","4","","Nandi, Shyamapada; Chakraborty, Debanjan; Vaidhyanathan, Ramanathan","A permanently porous single molecule H-bonded organic framework for selective CO2 capture","Chemical Communications (Cambridge, United Kingdom)","2016","52","45","7249","7252","10.1039/c6cc02964g","","","1.54178","CuKα","","0.1454","0.0799","","","0.1166","0.1218","","","","","","1.802","","","","has coordinates","210753","2020-10-21","18:00:00",""
"7118980","9.8778","0.0004","19.2098","0.0008","16.2304","0.0006","90","","101.765","0.002","90","","3015","0.2","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C19 H36 B10 Cl2 N P -","- C19 H36 B10 Cl2 N P -","- C76 H144 B40 Cl8 N4 P4 -","4","1","","Tek Long Chan; Zuowei Xie","The synthesis, structure and reactivity of an imine-stabilized carboranylphosphorus(I) compound","Chem.Commun.","2016","52","","7280","","","","","0.71073","MoKα","","0.047","0.0378","","","0.104","0.1085","","","","","","1.077","","","","has coordinates","183175","2020-10-21","18:00:00",""
"7118981","17.159","0.003","13.438","0.003","11.014","0.002","90","","90","","90","","2539.6","0.9","296","2","296","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C19 H36 B10 N P -","- C19 H36 B10 N P -","- C76 H144 B40 N4 P4 -","4","0.5","","Tek Long Chan; Zuowei Xie","The synthesis, structure and reactivity of an imine-stabilized carboranylphosphorus(I) compound","Chem.Commun.","2016","52","","7280","","","","","0.71073","MoKα","","0.1182","0.0728","","","0.1884","0.2258","","","","","","1.021","","","","has coordinates","183175","2020-10-21","18:00:00",""
"7118982","10.3092","0.0003","10.9189","0.0004","16.0645","0.0006","80.327","0.002","73.798","0.002","74.727","0.002","1666.41","0.1","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C23 H42 B10 N O4 P -","- C23 H42 B10 N O4 P -","- C46 H84 B20 N2 O8 P2 -","2","1","","Tek Long Chan; Zuowei Xie","The synthesis, structure and reactivity of an imine-stabilized carboranylphosphorus(I) compound","Chem.Commun.","2016","52","","7280","","","","","0.71073","MoKα","","0.0493","0.0435","","","0.1312","0.1353","","","","","","1.089","","","","has coordinates","183175","2020-10-21","18:00:00",""
"7118983","10.177","0.0004","10.4214","0.0005","25.2588","0.0011","101.476","0.001","99.642","0.001","90.279","0.001","2586.2","0.2","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C38 H72 B20 N2 P2 S -","- C38 H72 B20 N2 P2 S -","- C76 H144 B40 N4 P4 S2 -","2","1","","Tek Long Chan; Zuowei Xie","The synthesis, structure and reactivity of an imine-stabilized carboranylphosphorus(I) compound","Chem.Commun.","2016","52","","7280","","","","","0.71073","MoKα","","0.0539","0.044","","","0.1208","0.1289","","","","","","1.038","","","","has coordinates","183175","2020-10-21","18:00:00",""
"7118984","10.2136","0.0004","10.4144","0.0005","25.274","0.0012","101.61","0.0015","99.7572","0.0013","90.6407","0.0013","2592.4","0.2","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C38 H72 B20 N2 P2 Se -","- C38 H72 B20 N2 P2 Se -","- C76 H144 B40 N4 P4 Se2 -","2","1","","Tek Long Chan; Zuowei Xie","The synthesis, structure and reactivity of an imine-stabilized carboranylphosphorus(I) compound","Chem.Commun.","2016","52","","7280","","","","","0.71073","MoKα","","0.0489","0.0396","","","0.117","0.1244","","","","","","1.072","","","","has coordinates","183175","2020-10-21","18:00:00",""
"7118985","18.683","0.001","13.262","0.0007","31.5134","0.0017","90","","90","","90","","7808.2","0.7","296","2","296","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C27 H56 B10 N3 P Si2 -","- C27 H56 B10 N3 P Si2 -","- C216 H448 B80 N24 P8 Si16 -","8","1","","Tek Long Chan; Zuowei Xie","The synthesis, structure and reactivity of an imine-stabilized carboranylphosphorus(I) compound","Chem.Commun.","2016","52","","7280","","","","","0.71073","MoKα","","0.1083","0.0601","","","0.145","0.1773","","","","","","1.01","","","","has coordinates","183175","2020-10-21","18:00:00",""
"7118986","17.4405","0.0003","13.6893","0.0003","10.8979","0.0002","90","","90","","90","","2601.85","0.09","296","2","296","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C19 H37 B10 Cl N P -","- C19 H37 B10 Cl N P -","- C76 H148 B40 Cl4 N4 P4 -","4","0.5","","Tek Long Chan; Zuowei Xie","The synthesis, structure and reactivity of an imine-stabilized carboranylphosphorus(I) compound","Chem.Commun.","2016","52","","7280","","","","","0.71073","MoKα","","0.0624","0.0467","","","0.1152","0.1268","","","","","","1.03","","","","has coordinates","183175","2020-10-21","18:00:00",""
"7118987","17.4404","0.0015","12.4044","0.0009","18.5294","0.0015","90","","115.893","0.003","90","","3606.2","0.5","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C25 H55 B10 N2 P Si2 -","- C25 H55 B10 N2 P Si2 -","- C100 H220 B40 N8 P4 Si8 -","4","1","","Tek Long Chan; Zuowei Xie","The synthesis, structure and reactivity of an imine-stabilized carboranylphosphorus(I) compound","Chem.Commun.","2016","52","","7280","","","","","0.71073","MoKα","","0.0885","0.0758","","","0.2035","0.2177","","","","","","1.117","","","","has coordinates","183175","2020-10-21","18:00:00",""
"7118988","13.4335","0.0002","9.7044","0.0002","42.1106","0.0007","90","","90","","90","","5489.71","0.17","298","2","298","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","cis-(4-benzoylphenyl)dichlorotriphenylphosphine gold(III)","","- C31 H24 Au Cl2 O P -","- C31 H24 Au Cl2 O P -","- C248 H192 Au8 Cl16 O8 P8 -","8","1","","Eric Omar Asomoza-Solis; Jonathan Rojas-Ocampo; Ruben Alfredo Toscano; Susana Porcel","Arenediazonium salts as electrophiles for the oxidative addition of gold(I)","Chem.Commun.","2016","52","","7295","","","","","0.71073","MoKα","","0.0956","0.0451","","","0.074","0.0931","","","","","","1.019","","","","has coordinates","183177","2020-10-21","18:00:00",""
"7118989","9.36","0.003","16.371","0.005","16.662","0.005","90","","95.597","0.006","90","","2541","1.4","298","2","298","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","cis-(4-nitrophenyl)dichlorotriphenylphosphine gold(III)","","- C24 H19 Au Cl2 N O2 P -","- C24 H19 Au Cl2 N O2 P -","- C96 H76 Au4 Cl8 N4 O8 P4 -","4","1","","Eric Omar Asomoza-Solis; Jonathan Rojas-Ocampo; Ruben Alfredo Toscano; Susana Porcel","Arenediazonium salts as electrophiles for the oxidative addition of gold(I)","Chem.Commun.","2016","52","","7295","","","","","0.71073","MoKα","","0.0473","0.0296","","","0.0602","0.0678","","","","","","1.019","","","","has coordinates","183177","2020-10-21","18:00:00",""
"7118990","16.775","0.003","19.152","0.004","20.418","0.004","93.782","0.003","113.688","0.002","106.847","0.003","5623.4","1.9","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C105 H143 K2 N12 O37 P -","- C105 H119 K2 N12 O37 P -","- C210 H238 K4 N24 O74 P2 -","2","1","","Liguo Ji; Zaiwen Yang; Yanxia Zhao; Meng Sun; Liping Cao; Xiao-Juan Yang; Yao-Yu Wang; Biao Wu","Sandwich phosphate complexes of macrocyclic tris(urea) ligands and their rotation around the anion","Chem.Commun.","2016","52","","7310","","","","","0.71073","MoKα","","0.3316","0.1465","","","0.2739","0.3455","","","","","","1.186","","","","has coordinates","183178","2020-10-21","18:00:00",""
"7118991","14.99","0.004","16.27","0.004","25.088","0.006","99.668","0.004","100.824","0.004","105.587","0.004","5632","2","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C98 H128 K N16 O28 P -","- C98 H125 K N16 O28 P -","- C196 H250 K2 N32 O56 P2 -","2","1","","Liguo Ji; Zaiwen Yang; Yanxia Zhao; Meng Sun; Liping Cao; Xiao-Juan Yang; Yao-Yu Wang; Biao Wu","Sandwich phosphate complexes of macrocyclic tris(urea) ligands and their rotation around the anion","Chem.Commun.","2016","52","","7310","","","","","0.71073","MoKα","","0.2452","0.1228","","","0.2519","0.278","","","","","","1.093","","","","has coordinates","183178","2020-10-21","18:00:00",""
"7118992","14.782","0.002","19.415","0.003","21.552","0.003","85.538","0.002","85.989","0.002","89.867","0.002","6151.4","1.5","188","2","188","2","","","","","","","","5","P -1","-P 1","2","","","","- C116 H174 N17 O27 P -","- C116 H172 N17 O27 P -","- C232 H344 N34 O54 P2 -","2","1","","Liguo Ji; Zaiwen Yang; Yanxia Zhao; Meng Sun; Liping Cao; Xiao-Juan Yang; Yao-Yu Wang; Biao Wu","Sandwich phosphate complexes of macrocyclic tris(urea) ligands and their rotation around the anion","Chem.Commun.","2016","52","","7310","","","","","0.71073","MoKα","","0.2401","0.13","","","0.2572","0.3015","","","","","","1.095","","","","has coordinates","183178","2020-10-21","18:00:00",""
"7118993","16.6867","0.0018","19.4","0.002","32.767","0.003","90","","112.755","0.004","90","","9781.8","1.7","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C360 H490 K8 N48 O133 S4 -","- C360 H480 K8 N48 O133 S4 -","- C360 H480 K8 N48 O133 S4 -","1","0.25","","Liguo Ji; Zaiwen Yang; Yanxia Zhao; Meng Sun; Liping Cao; Xiao-Juan Yang; Yao-Yu Wang; Biao Wu","Sandwich phosphate complexes of macrocyclic tris(urea) ligands and their rotation around the anion","Chem.Commun.","2016","52","","7310","","","","","0.71073","MoKα","","0.0744","0.0523","","","0.1332","0.1489","","","","","","1.038","","","","has coordinates,has disorder","183178","2020-10-21","18:00:00",""
"7118994","18.0761","0.0018","21.11","0.002","32.803","0.003","90","","122.13","0.004","90","","10600.1","1.8","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C97 H132 K2 N13 O35 S -","- C97 H130 K2 N13 O35 S -","- C388 H520 K8 N52 O140 S4 -","4","1","","Liguo Ji; Zaiwen Yang; Yanxia Zhao; Meng Sun; Liping Cao; Xiao-Juan Yang; Yao-Yu Wang; Biao Wu","Sandwich phosphate complexes of macrocyclic tris(urea) ligands and their rotation around the anion","Chem.Commun.","2016","52","","7310","","","","","0.71073","MoKα","","0.3711","0.1846","","","0.3121","0.3769","","","","","","1.157","","","","has coordinates","183178","2020-10-21","18:00:00",""
"7118995","20.611","0.005","31.842","0.008","8.872","0.002","90","","104.307","0.005","90","","5642","2","296","2","296","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C50 H75 Cl N10 O14 -","- C50 H75 Cl N10 O14 -","- C200 H300 Cl4 N40 O56 -","4","1","","Liguo Ji; Zaiwen Yang; Yanxia Zhao; Meng Sun; Liping Cao; Xiao-Juan Yang; Yao-Yu Wang; Biao Wu","Sandwich phosphate complexes of macrocyclic tris(urea) ligands and their rotation around the anion","Chem.Commun.","2016","52","","7310","","","","","0.71073","MoKα","","0.0613","0.0474","","","0.1296","0.1475","","","","","","1.028","","","","has coordinates","183178","2020-10-21","18:00:00",""
"7118996","18.572","0.005","34.162","0.008","8.774","0.002","90","","94.732","0.004","90","","5548","2","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C51 H78 Cl N9 O14 -","- C51 H78 Cl N9 O14 -","- C204 H312 Cl4 N36 O56 -","4","1","","Liguo Ji; Zaiwen Yang; Yanxia Zhao; Meng Sun; Liping Cao; Xiao-Juan Yang; Yao-Yu Wang; Biao Wu","Sandwich phosphate complexes of macrocyclic tris(urea) ligands and their rotation around the anion","Chem.Commun.","2016","52","","7310","","","","","0.71073","MoKα","","0.2653","0.189","","","0.3684","0.4077","","","","","","1.179","","","","has coordinates","183178","2020-10-21","18:00:00",""
"7118997","12.275","0.0016","13.0629","0.0017","19.863","0.003","71.072","0.002","78.86","0.001","70.582","0.002","2828.3","0.7","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C51 H68 I2 N10 O10 -","- C51 H68 I2 N10 O10 -","- C102 H136 I4 N20 O20 -","2","1","","Liguo Ji; Zaiwen Yang; Yanxia Zhao; Meng Sun; Liping Cao; Xiao-Juan Yang; Yao-Yu Wang; Biao Wu","Sandwich phosphate complexes of macrocyclic tris(urea) ligands and their rotation around the anion","Chem.Commun.","2016","52","","7310","","","","","0.71073","MoKα","","0.0772","0.0685","","","0.1542","0.1585","","","","","","1.156","","","","has coordinates","183178","2020-10-21","18:00:00",""
"7118998","9.4639","0.0002","10.1522","0.0002","14.1214","0.0003","77.6074","0.0008","86.1247","0.0009","71.6074","0.0007","1257.47","0.05","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C29 H21 P Se -","- C29 H21 P Se -","- C58 H42 P2 Se2 -","2","1","","Massimo Rigo; Manuela Weber; Christian Muller","Expanding the phosphorus-carbon analogy: formation of an unprecedented 5-phosphasemibullvalene derivative","Chem.Commun.","2016","52","","7090","","","","","0.71073","MoKα","","0.043","0.0332","","","0.0728","0.0763","","","","","","1.053","","","","has coordinates","183179","2020-10-21","18:00:00",""
"7118999","17.055","0.009","10.409","0.006","7.301","0.004","90","","111.071","0.01","90","","1209.4","1.2","150","","150","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C18 H9 B O3 -","- C18 H9 B O3 -","- C72 H36 B4 O12 -","4","0.5","","Yuichi Kitamoto; Takatsugu Suzuki; Yasuo Miyata; Hiroshi Kita; Kenji Funaki; Shuichi Oi","The first synthesis and X-ray crystallographic analysis of an oxygen-bridged planarized triphenylborane","Chem.Commun.","2016","52","","7098","","","","","0.71075","MoKα","","0.1062","0.0529","","","0.117","0.1337","","","","","","0.89","","","","has coordinates","183180","2020-10-21","18:00:00",""
"7119000","7.0843","0.0001","25.1223","0.0002","8.2327","0.0001","90","","103.844","0.0004","90","","1422.65","0.03","100","","100","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C37 H33 N5 Ni -","- C37 H33 N5 Ni -","- C74 H66 N10 Ni2 -","2","0.5","","Ryo Nozawa; Keitaro Yamamoto; Ichiro Hisaki; Ji-Young Shin; Hiroshi Shinokubo","Ni^II^ tetrahydronorcorroles: antiaromatic porphyrinoids with saturated pyrrole units","Chem.Commun.","2016","52","","7106","","","","","0.8","synchrotron","","0.059","0.0589","","","0.1381","0.1381","","","","","","1.146","","","","has coordinates,has disorder","183182","2020-10-21","18:00:00",""
"7119001","14.579","0.003","9.8759","0.0017","9.0753","0.0015","90","","102.459","0.005","90","","1275.9","0.4","103","2","103","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H15 N O3 -","- C14 H15 N O3 -","- C56 H60 N4 O12 -","4","1","","Nicole S. Y. Loy; Subin Choi; Sunggak Kim; Cheol-Min Park","The synthesis of pyrroles and oxazoles based on gold alpha-imino carbene complexes","Chem.Commun.","2016","52","","7336","","","","","0.71073","MoKα","","0.1498","0.0607","","","0.1381","0.1928","","","","","","0.977","","","","has coordinates","183251","2020-10-21","18:00:00",""
"7119002","30.509","0.006","14.5498","0.0018","33.049","0.004","90","","91.858","0.003","90","","14663","4","103","2","103.15","","","","","","","","","4","I 1 2/a 1","-I 2ya","15","kim5","(Z)-1-(5-ethoxy-2-(4-nitrophenyl)oxazol-4-yl)ethan-1-one O-methyl oxime","","- C14 H15 N3 O5 -","- C14 H15 N3 O5 -","- C560 H600 N120 O200 -","40","5","","Nicole S. Y. Loy; Subin Choi; Sunggak Kim; Cheol-Min Park","The synthesis of pyrroles and oxazoles based on gold alpha-imino carbene complexes","Chem.Commun.","2016","52","","7336","","","","","0.71073","MoKα","","0.1417","0.0772","","","0.1992","0.2499","","","","","","1.031","","","","has coordinates,has disorder","183251","2020-10-21","18:00:00",""
"7119003","24.7264","0.0007","9.6603","0.0002","23.4725","0.0007","90","","109.127","0.003","90","","5297.2","0.3","150","0.2","150","0.2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C44 H65 B Br Cl9 F N2 P -","- C44 H65 B Br Cl9 F N2 P -","- C176 H260 B4 Br4 Cl36 F4 N8 P4 -","4","1","","Shubhanchi Nigam; Benjamin P. Burke; Laura H. Davies; Juozas Domarkas; Jennifer F. Wallis; Paul G. Waddell; Jennifer S. Waby; David M. Benoit; Anne-Marie Seymour; Christopher Cawthorne; Lee J. Higham; Stephen J. Archibald","Structurally optimised BODIPY derivatives for imaging of mitochondrial dysfunction in cancer and heart cells","Chem.Commun.","2016","52","","7114","","","","x-ray","1.54184","CuKα","","0.1093","0.0685","","","0.1786","0.2101","","","","","","1.02","","","","has coordinates,has disorder","183252","2020-10-21","18:00:00",""
"7119004","10.064","0.003","8.502","0.002","13.718","0.004","90","","100.284","0.007","90","","1154.9","0.6","100","","100","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C25 H28 Br N3 O3 -","- C25 H28 Br N3 O3 -","- C50 H56 Br2 N6 O6 -","2","1","","Jakob Blom; Tore Kiilerich Johansen; Frank Jensen; Karl Anker Jorgensen","Dynamic resolution of 2-cyclohexylidene acetaldehydes through organocatalytic dienamine [4+2] cycloaddition","Chem.Commun.","2016","52","","7153","","","","","0.56086","AgKα","","0.0463","0.0374","","","0.0958","0.1016","","","","","","1.003","","","","has coordinates","278046","2022-09-21","15:45:42",""
"7119005","12.983","0.003","10.976","0.003","16.961","0.004","90","","99.955","0.008","90","","2380.6","1","100","","100","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C30 H27 N3 O4 -","- C30 H27 N3 O4 -","- C120 H108 N12 O16 -","4","2","","Jakob Blom; Tore Kiilerich Johansen; Frank Jensen; Karl Anker Jorgensen","Dynamic resolution of 2-cyclohexylidene acetaldehydes through organocatalytic dienamine [4+2] cycloaddition","Chem.Commun.","2016","52","","7153","","","","x-ray","0.56086","AgKα","","0.0545","0.0416","","","0.092","0.1","","","","","","1.0081","","","","has coordinates","278046","2022-09-21","15:45:42",""
"7119006","15.361","0.004","4.955","0.0013","14.843","0.004","90","","98.245","0.007","90","","1118.1","0.5","93","2","93","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C26 H24 N2 O6 -","- C26 H24 N2 O6 -","- C52 H48 N4 O12 -","2","0.5","","Kazuto Nakamura; Nobuhiro Yasuda; Hiromitsu Maeda","Dimension-controlled assemblies of modified bipyrroles stabilized by electron-withdrawing moieties","Chem.Commun.","2016","52","","7157","","","","","1.54187","CuKα","","0.0374","0.0329","","","0.0938","0.0957","","","","","","1.074","","","","has coordinates","183254","2020-10-21","18:00:00",""
"7119007","7.9706","0.0019","10.519","0.003","17.44","0.004","87.803","0.004","86.847","0.004","78.375","0.004","1429.5","0.6","90","2","90","2","","","","","","","","4","P -1","-P 1","2","","DBBP-6OMe","","- C30 H32 N2 O9 -","- C30 H32 N2 O9 -","- C60 H64 N4 O18 -","2","1","","Kazuto Nakamura; Nobuhiro Yasuda; Hiromitsu Maeda","Dimension-controlled assemblies of modified bipyrroles stabilized by electron-withdrawing moieties","Chem.Commun.","2016","52","","7157","","","","","0.78203","Synchrotron","","0.1119","0.0551","","","0.1213","0.182","","","","","","1.132","","","","has coordinates,has disorder","183254","2020-10-21","18:00:00",""
"7119008","13.7969","0.0011","14.7646","0.001","20.728","0.002","92.826","0.009","108.606","0.007","114.956","0.008","3544","0.6","120","2","120","2","","","","","","","","7","P -1","-P 1","2","","","","- C40 H112 I3 N8 Nd O10 P4 -","- C40 H112 I3 N8 Nd O10 P4 -","- C80 H224 I6 N16 Nd2 O20 P8 -","2","1","","Sandeep K. Gupta; Thayalan Rajeshkumar; Gopalan Rajaraman; Ramaswamy Murugavel","An unprecedented zero field neodymium(III) single-ion magnet based on a phosphonic diamide","Chem.Commun.","2016","52","","7168","","","","","0.71075","MoKα","","0.0311","0.0304","","","0.0751","0.0756","","","","","","1.056","","","","has coordinates","183255","2020-10-21","18:00:00",""
"7119009","8.8932","0.001","11.8369","0.0005","15.1942","0.0008","72.926","0.004","88.754","0.006","88.696","0.006","1528.4","0.2","100.03","0.1","100.03","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C54 H38 Cd N8 O4 -","- C54 H38 Cd N8 O4 -","- C54 H38 Cd N8 O4 -","1","0.5","","Jian-Cheng Wang; Jian-Ping Ma; Qi-Kui Liu; Yu-Hong Hu; Yu-Bin Dong","Cd(II)-MOF-IM: post-synthesis functionalization of a Cd(II)-MOF as a triphase transfer catalyst","Chem.Commun.","2016","52","","6989","","10.1039/C6CC00576D","","x-ray","1.54184","CuKα","","0.0895","0.0733","","","0.1886","0.2008","","","","","","0.986","","","","has coordinates,has disorder","192152","2020-10-21","18:00:00",""
"7119010","11.479","0.004","8.356","0.003","12.079","0.004","90","","104.039","0.005","90","","1124","0.7","123","2","123","2","","","","","","","","6","P 1 21 1","P 2yb","4","","(M)-Co(SO4)(1,3-bbix)(H2O)3","","- C22 H24 Co N4 O7 S -","- C22 H24 Co N4 O7 S -","- C44 H48 Co2 N8 O14 S2 -","2","1","","Jian-Shen Feng; Min Ren; Zhong-Sheng Cai; Kun Fan; Song-Song Bao; Li-Min Zheng","Enantiopure phosphonic acids as chiral inducers: homochiral crystallization of cobalt coordination polymers showing field-induced slow magnetization relaxation","Chem.Commun.","2016","52","","6877","","","","","0.71073","MoKα","","0.111","0.0976","","","0.2295","0.2384","","","","","","1.002","","","","has coordinates","183258","2020-10-21","18:00:00",""
"7119011","11.495","0.004","8.412","0.003","12.098","0.004","90","","103.45","0.005","90","","1137.7","0.7","296","2","296","2","","","","","","","","6","P 1 21 1","P 2yb","4","","(P)-Co(SO4)(1,3-bbix)(H2O)3","","- C22 H24 Co N4 O7 S -","- C22 H24 Co N4 O7 S -","- C44 H48 Co2 N8 O14 S2 -","2","1","","Jian-Shen Feng; Min Ren; Zhong-Sheng Cai; Kun Fan; Song-Song Bao; Li-Min Zheng","Enantiopure phosphonic acids as chiral inducers: homochiral crystallization of cobalt coordination polymers showing field-induced slow magnetization relaxation","Chem.Commun.","2016","52","","6877","","","","","0.71073","MoKα","","0.0723","0.0562","","","0.1264","0.1358","","","","","","1","","","","has coordinates","183258","2020-10-21","18:00:00",""
"7119012","13.9705","0.0006","34.3796","0.0016","8.1479","0.0003","90","","90","","90","","3913.4","0.3","150","","150","","","","","","","","synthesis as described","3","C c m 21","C 2c -2c","36","","","","- C55 H31 N3 -","- C55 H31 N3 -","- C220 H124 N12 -","4","0.5","","Helena Isla; Monika Srebro-Hooper; Marion Jean; Nicolas Vanthuyne; Thierry Roisnel; Jamie L. Lunkley; Gilles Muller; J. A. Gareth Williams; Jochen Autschbach; Jeanne Crassous","Conformational changes and chiroptical switching of enantiopure bis-helicenic terpyridine upon Zn^2+^ binding","Chem.Commun.","2016","52","","5932","","","","x-ray","1.54178","CuKα","","0.0527","0.047","","","0.1355","0.1428","","","","","","1.082","","","","has coordinates","183259","2020-10-21","18:00:00",""
"7119013","15.3452","0.0006","16.8828","0.0007","18.9071","0.0007","90","","94.356","0.002","90","","4884.1","0.3","150","","150","","","","","","","","synthesis as described","6","P 1 21/n 1","-P 2yn","14","","","","- C61 H41 Cl4 N3 O4 Zn -","- C61 H41 Cl4 N3 O4 Zn -","- C244 H164 Cl16 N12 O16 Zn4 -","4","1","","Helena Isla; Monika Srebro-Hooper; Marion Jean; Nicolas Vanthuyne; Thierry Roisnel; Jamie L. Lunkley; Gilles Muller; J. A. Gareth Williams; Jochen Autschbach; Jeanne Crassous","Conformational changes and chiroptical switching of enantiopure bis-helicenic terpyridine upon Zn^2+^ binding","Chem.Commun.","2016","52","","5932","","","","x-ray","0.71073","MoKα","","0.071","0.0516","","","0.125","0.1431","","","","","","1.039","","","","has coordinates,has disorder","183259","2020-10-21","18:00:00",""
"7119014","8.9558","0.0008","11.4826","0.0007","21.7545","0.0018","90","","90","","90","","2237.1","0.3","150","","150","","","","","","","","synthesis as described","3","P 21 2 21","P 2ac 2ac","18","","","","- C55 H31 N3 -","- C55 H31 N3 -","- C110 H62 N6 -","2","0.5","","Helena Isla; Monika Srebro-Hooper; Marion Jean; Nicolas Vanthuyne; Thierry Roisnel; Jamie L. Lunkley; Gilles Muller; J. A. Gareth Williams; Jochen Autschbach; Jeanne Crassous","Conformational changes and chiroptical switching of enantiopure bis-helicenic terpyridine upon Zn^2+^ binding","Chem.Commun.","2016","52","","5932","","","","x-ray","0.71073","MoKα","","0.1014","0.0857","","","0.2137","0.2221","","","","","","1.065","","","","has coordinates,has disorder","183259","2020-10-21","18:00:00",""
"7119015","8.7316","0.0017","15.311","0.003","16.873","0.003","72.77","0.03","82.43","0.03","86.08","0.03","2134.7","0.8","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C27 H18 Ag7 F15 N6 O10 -","- C27 H18 Ag7 F15 N6 O10 -","- C54 H36 Ag14 F30 N12 O20 -","2","1","","Xin He; Hai-Xia Liu; Liang Zhao","Integration of acetylenic carbon clusters and silver clusters: template synthesis and stability enhancement","Chem.Commun.","2016","52","","5682","","","","","0.71073","MoKα","","0.0809","0.0637","","","0.11","0.1191","","","","","","1.159","","","","has coordinates,has disorder","183260","2020-10-21","18:00:00",""
"7119016","20.7","0.004","23.694","0.005","31.929","0.006","90","","92.38","0.03","90","","15647","5","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C82 H96 Ag22 F48 O48.5 S16 -","- C82 H96 Ag22 F48 O48.5 S16 -","- C328 H384 Ag88 F192 O194 S64 -","4","1","","Xin He; Hai-Xia Liu; Liang Zhao","Integration of acetylenic carbon clusters and silver clusters: template synthesis and stability enhancement","Chem.Commun.","2016","52","","5682","","","","","0.71073","MoKα","","0.095","0.0845","","","0.2177","0.2293","","","","","","1.161","","","","has coordinates,has disorder","183260","2020-10-21","18:00:00",""
"7119017","26.341","0.005","13.125","0.003","36.552","0.007","90","","105.85","0.03","90","","12157","5","173.15","","173.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C128 H150 Ag34 F72 O74 S24 -","- C128 H150 Ag34 F72 O74 S24 -","- C256 H300 Ag68 F144 O148 S48 -","2","0.5","","Xin He; Hai-Xia Liu; Liang Zhao","Integration of acetylenic carbon clusters and silver clusters: template synthesis and stability enhancement","Chem.Commun.","2016","52","","5682","","","","","0.71073","MoKα","","0.1165","0.1011","","","0.2218","0.2327","","","","","","1.198","","","","has coordinates,has disorder","183260","2020-10-21","18:00:00",""
"7119018","10.267","0.005","32.086","0.005","6.955","0.005","90","0.005","90","0.005","90","0.005","2291","2","293","2","293","2","","","","","","","","5","C m c m","-C 2c 2","63","USTC-7","","","- C15 H7 N4 O7 Zn2 -","- C15 H7 N4 O7 Zn2 -","- C60 H28 N16 O28 Zn8 -","4","0.25","","Yingli Hu; Meili Ding; Xiao-Qin Liu; Lin-Bing Sun; Hai-Long Jiang","Rational synthesis of an exceptionally stable Zn(II) metal-organic framework for the highly selective and sensitive detection of picric acid","Chem.Commun.","2016","52","","5734","","10.1039/C6CC01597B","","","0.71069","MoKα","","0.0598","0.053","","","0.1538","0.1588","","","","","","1.108","","","","has coordinates","192150","2020-10-21","18:00:00",""
"7119019","12.974","0.003","31.717","0.007","15.286","0.003","90","","95.96","0.003","90","","6256","2","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C62 H89 Cl N4 O2 P2 -","- C62 H89 Cl N4 O2 P2 -","- C248 H356 Cl4 N16 O8 P8 -","4","1","","Yuzhong Wang; Hunter P. Hickox; Yaoming Xie; Pingrong Wei; Dongtao Cui; Melody R. Walter; Henry F. Schaefer III; Gregory H. Robinson","Protonation of carbene-stabilized diphosphorus: complexation of HP2+","Chem.Commun.","2016","52","","5746","","","","","0.71073","MoKα","","0.1367","0.0775","","","0.1834","0.2193","","","","","","1.014","","","","has coordinates,has disorder","183296","2020-10-21","18:00:00",""
"7119020","11.4425","0.0007","11.4934","0.0008","13.0446","0.0009","74.006","0.001","71.922","0.001","78.818","0.001","1556.65","0.18","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- C76 H76 O8 -","- C76 H76 O8 -","- C76 H76 O8 -","1","0.5","","Bo Gao; Li-Li Tan; Nan Song; Ke Li; Ying-Wei Yang","A high-yield synthesis of [m]biphenyl-extended pillar[n]arenes for an efficient selective inclusion of toluene and m-xylene in the solid state","Chem.Commun.","2016","52","","5804","","","","","0.71073","MoKα","","0.1069","0.0686","","","0.1624","0.1937","","","","","","1.02","","","","has coordinates","183309","2020-10-21","18:00:00",""
"7119021","11.3535","0.0013","11.5292","0.0013","13.4501","0.0015","70.421","0.002","73.067","0.002","78.916","0.002","1578.1","0.3","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","m-xylene2_Bp_ExP6","","- C78 H80 O8 -","- C78 H80 O8 -","- C78 H80 O8 -","1","0.5","","Bo Gao; Li-Li Tan; Nan Song; Ke Li; Ying-Wei Yang","A high-yield synthesis of [m]biphenyl-extended pillar[n]arenes for an efficient selective inclusion of toluene and m-xylene in the solid state","Chem.Commun.","2016","52","","5804","","","","","0.71073","MoKα","","0.0933","0.056","","","0.1309","0.1532","","","","","","1.004","","","","has coordinates","183309","2020-10-21","18:00:00",""
"7119022","4.7306","0.0001","21.6655","0.0004","8.1069","0.0001","90","","103.803","0.002","90","","806.89","0.03","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)acetamide","Acetazolamide","","- C4 H6 N4 O3 S2 -","- C4 H6 N4 O3 S2 -","- C16 H24 N16 O12 S8 -","4","1","","Sounak Sarkar; Mysore S. Pavan; Suryanarayan Cherukuvada; Tayur N. Guru Row","Acetazolamide polymorphism: a case of hybridization induced polymorphism?","Chem.Commun.","2016","52","","5820","","","","x-ray","0.71073","MoKα","","0.037","0.022","","","","0.048","0.027","","","","","0.992","","","","has coordinates","183310","2020-10-21","18:00:00",""
"7119023","12.3361","0.0005","16.8521","0.0005","12.0571","0.0005","90","","112.1","0.005","90","","2322.38","0.17","571","2","571","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","fused heterocycle","1-azaphenalene","","- C28 H27 N O6 -","- C28 H27 N O6 -","- C112 H108 N4 O24 -","4","1","","Ying Xie; Xun Chen; Xin Liu; Shi-Jian Su; Jianzhang Li; Wei Zeng","Rh(III)-catalyzed relay carbenoid functionalization of aromatic C-H bonds: access to pi-conjugated fused heteroarenes","Chem.Commun.","2016","52","","5856","","","","","1.54178","CuKα","","0.0574","0.0513","","","0.1346","0.1402","","","","","","1.051","","","","has coordinates","183311","2020-10-21","18:00:00",""
"7119024","29.44","0.005","29.44","0.005","11.679","0.002","90","","90","","120","","8766","3","93","2","93","2","","","","","","","","5","P 63","P 6c","173","","","","- C61.4 H43.6 Cl4 N2 O6.2 -","- C61.4 H43.6 Cl4 N2 O6.2 -","- C368.4 H261.6 Cl24 N12 O37.2 -","6","1","","Midori Nagamoto; Daisuke Yamauchi; Takahiro Nishimura","Iridium-catalyzed asymmetric [3+2] annulation of aromatic ketimines with alkynes via C-H activation: unexpected inversion of the enantioselectivity induced by protic acids","Chem.Commun.","2016","52","","5876","","","","","1.54187","CuKα","","0.0755","0.0668","","","0.1842","0.189","","","","","","1.097","","","","has coordinates","183312","2020-10-21","18:00:00",""
"7119025","9.2746","0.0003","10.8353","0.0004","11.1364","0.0004","91.652","0.002","103.923","0.002","90.151","0.002","1085.75","0.07","173","2","173","2","","","","","","","watercress (Nasturtium officinale)","4","P -1","-P 1","2","","cyclonasturlexin","","- C11 H10 N2 S2 -","- C11 H10 N2 S2 -","- C44 H40 N8 S8 -","4","2","","M. S. C. Pedras; Q. H. To","Unveiling the first indole-fused thiazepine: structure, synthesis and biosynthesis of cyclonasturlexin, a remarkable cruciferous phytoalexin","Chem.Commun.","2016","52","","5880","","","","","0.71073","MoKα","","0.0657","0.0456","","","0.1144","0.1263","","","","","","1.053","","","","has coordinates","183313","2020-10-21","18:00:00",""
"7119026","10.3102","0.0006","10.7772","0.0006","14.5496","0.0008","80.932","0.005","89.859","0.005","65.526","0.005","1449.48","0.16","298","2","298","2","","","","","","","","8","P -1","-P 1","2","","","","- C24 H18 Cl Co N8 O5 S Se2 -","- C24 H18 Cl Co N8 O5 S Se2 -","- C48 H36 Cl2 Co2 N16 O10 S2 Se4 -","2","1","","Filipović, Nenad R.; Bjelogrlić, Snežana; Portalone, Gustavo; Pelliccia, Sveva; Silvestri, Romano; Klisurić, Olivera; Senćanski, Milan; Stanković, Dalibor; Todorović, Tamara R.; Muller, Christian D.","Pro-apoptotic and pro-differentiation induction by 8-quinolinecarboxaldehyde selenosemicarbazone and its Co(iii) complex in human cancer cell lines","Med. Chem. Commun.","2016","7","8","1604","","10.1039/C6MD00199H","","","0.710689","MoKα","","0.0509","0.038","","","0.088","0.0944","","","","","","1.025","","","","has coordinates","186450","2020-10-21","18:00:00",""
"7119027","8.8291","0.0008","12.9308","0.0008","10.1657","0.0007","90","","97.384","0.008","90","","1150.97","0.15","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C11 H10 N4 Se -","- C11 H10 N4 Se -","- C44 H40 N16 Se4 -","4","1","","Filipović, Nenad R.; Bjelogrlić, Snežana; Portalone, Gustavo; Pelliccia, Sveva; Silvestri, Romano; Klisurić, Olivera; Senćanski, Milan; Stanković, Dalibor; Todorović, Tamara R.; Muller, Christian D.","Pro-apoptotic and pro-differentiation induction by 8-quinolinecarboxaldehyde selenosemicarbazone and its Co(iii) complex in human cancer cell lines","Med. Chem. Commun.","2016","7","8","1604","","10.1039/C6MD00199H","","","0.71073","MoKα","","0.0428","0.0313","","","0.0698","0.0745","","","","","","1.022","","","","has coordinates","186450","2020-10-21","18:00:00",""
"7119028","7.7617","0.0014","9.9794","0.0018","13.124","0.002","101.841","0.003","100.386","0.003","97.192","0.003","964.6","0.3","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C19 H19 F6 N O4 -","- C19 H19 F6 N O4 -","- C38 H38 F12 N2 O8 -","2","1","","Li, Yu; Xia, Guiquan; Guo, Qi; Wu, Li; Chen, Shizhen; Yang, Zhigang; Wang, Wei; Zhang, Zhong-Yin; Zhou, Xin; Jiang, Zhong-Xing","Design, synthesis and evaluation of novel (19)F magnetic resonance sensitive protein tyrosine phosphatase inhibitors.","MedChemComm","2016","7","8","1672","1680","10.1039/C6MD00277C","","","0.71073","MoKα","","0.0735","0.0426","","","0.0878","0.1036","","","","","","0.988","","","","has coordinates","186449","2020-10-21","18:00:00",""
"7119029","22.12","0.003","11.7114","0.0016","16.324","0.002","90","","109.222","0.004","90","","3993.1","0.9","273","2","273","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C21 H23 N3 O3 S -","- C21 H23 N3 O3 S -","- C168 H184 N24 O24 S8 -","8","1","","Man, Ruo-Jun; Tang, Dan-Jie; Lu, Xiao-Yuan; Duan, Yong-Tao; Tao, Xiang-Xiang; Yang, Meng-Ru; Wang, Le-Le; Wang, Bao-Zhong; Xu, Chen; Zhu, Hai-Liang","Synthesis and biological evaluation of novel indole derivatives containing sulfonamide scaffold as potential tubulin inhibitor","Med. Chem. Commun.","2016","7","9","1759","","10.1039/C6MD00255B","","","0.71073","MoKα","","0.0694","0.0463","","","0.1084","0.1215","","","","","","1.018","","","","has coordinates","187156","2020-10-21","18:00:00",""
"7119031","13.3962","0.0012","19.3637","0.0016","22.587","0.002","90","","90","","90","","5859.1","0.9","123","","123","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","(S)-binaphtyl gold(I)-isocyanide complex","(S)-1G","","- C34.5 H23 Au2 Cl N2 -","- C34.5 H23 Au2 Cl N2 -","- C276 H184 Au16 Cl8 N16 -","8","2","","Jin, Mingoo; Seki, Tomohiro; Ito, Hajime","Luminescent mechanochromism of a chiral complex: distinct crystal structures and color changes of racemic and homochiral gold( <scp>i</scp> ) isocyanide complexes with a binaphthyl moiety","Chem. Commun.","2016","52","52","8083","8086","10.1039/C6CC03541H","","","0.71075","MoKα","","0.0892","0.0641","","","0.1251","0.138","","","","","","1.051","","","","has coordinates,has disorder","282905","2023-04-28","18:54:43",""
"7119032","13.0435","0.0004","18.7272","0.0007","23.6159","0.0009","90","","90","","90","","5768.6","0.4","123","","123","","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C34.25 H22.5 Au2 Cl0.5 N2 -","- C34.25 H22.5 Au2 Cl0.5 N2 -","- C274 H180 Au16 Cl4 N16 -","8","1","","Jin, Mingoo; Seki, Tomohiro; Ito, Hajime","Luminescent mechanochromism of a chiral complex: distinct crystal structures and color changes of racemic and homochiral gold( <scp>i</scp> ) isocyanide complexes with a binaphthyl moiety","Chem. Commun.","2016","52","52","8083","8086","10.1039/C6CC03541H","","","0.71075","MoKα","","0.0532","0.038","","","0.0701","0.0749","","","","","","1.061","","","","has coordinates,has disorder","282905","2023-04-28","18:54:43",""
"7119034","18.985","0.0008","10.8911","0.0005","14.8749","0.0007","90","","90","","90","","3075.6","0.2","180","2","180","2","","","","","","","","7","C m c m","-C 2c 2","63","","","","- C20 H57 B2 Li N2 P2 Sn -","- C20 H57 B2 Li N2 P2 Sn -","- C80 H228 B8 Li4 N8 P8 Sn4 -","4","0.25","","Maria Fernandez-Millan; Lucy K. Allen; Raul Garcia-Rodriguez; Andrew D. Bond; Marta E. G. Mosquera; Dominic S. Wright","Formation of a unique 'unsupported' hydridic stannate(II)","Chem.Commun.","2016","52","","5993","","","","","1.54178","CuKα","","0.0251","0.0228","","","0.0546","0.0561","","","","","","1.091","","","","has coordinates,has disorder","183980","2020-10-21","18:00:00",""
"7119035","40.8424","0.0009","40.8424","0.0009","40.8424","0.0009","90","","90","","90","","68129","3","100","","100","","","","","","","","","6","P a -3","-P 2ac 2ab 3","205","","","","- C216 H228 F96 N72 Sb16 Zn8 -","- C216 H237 F84.0002 N72 Sb14.0002 Zn8 -","- C1728 H1896 F672.002 N576 Sb112.002 Zn64 -","8","0.333333","","Jing Yang; Xiao-Yong Chang; Kiu-Chor Sham; Shek-Man Yiu; Hoi-Lun Kwong; Chi-Ming Che","M8L12 cubic cages with all facial delta or facial lamda configuration: effects of surface anions on the occupancy of the cage and anion exchange","Chem.Commun.","2016","52","","5981","","","","","1.54178","CuKα","","0.1065","0.0977","","","0.2862","0.2969","","","","","","1.086","","","","has coordinates,has disorder","183981","2020-10-21","18:00:00",""
"7119036","41.313","0.005","41.313","0.005","41.313","0.005","90","","90","","90","","70512","15","100","","100","","","","","","","","","7","P a -3","-P 2ac 2ab 3","205","","","","- C232 H240 Cd8 F48 N72 O48 S16 -","- C232 H240 Cd8 F47.9997 N72 O48.0001 S16 -","- C1856 H1920 Cd64 F383.998 N576 O384.001 S128 -","8","0.333333","","Jing Yang; Xiao-Yong Chang; Kiu-Chor Sham; Shek-Man Yiu; Hoi-Lun Kwong; Chi-Ming Che","M8L12 cubic cages with all facial delta or facial lamda configuration: effects of surface anions on the occupancy of the cage and anion exchange","Chem.Commun.","2016","52","","5981","","","","","0.78","","","0.1477","0.1226","","","0.3474","0.3748","","","","","","1.014","","","","has coordinates,has disorder","183981","2020-10-21","18:00:00",""
"7119037","26.6801","0.0003","26.6801","0.0003","26.6801","0.0003","90","","90","","90","","18991.6","0.4","173","2","173","2","","","","","","","","6","P n -3 n :2","-P 4a 2bc 3","222","","","","- C240 H240 F39 Mn8 N84 P6.5 -","- C240 H240 F39 Mn8 N84 P6.5 -","- C480 H480 F78 Mn16 N168 P13 -","2","0.0416667","","Jing Yang; Xiao-Yong Chang; Kiu-Chor Sham; Shek-Man Yiu; Hoi-Lun Kwong; Chi-Ming Che","M8L12 cubic cages with all facial delta or facial lamda configuration: effects of surface anions on the occupancy of the cage and anion exchange","Chem.Commun.","2016","52","","5981","","","","","1.54178","CuKα","","0.1684","0.1287","","","0.3681","0.3942","","","","","","1.325","","","","has coordinates","183981","2020-10-21","18:00:00",""
"7119038","9.1953","0.0005","15.9688","0.0008","16.377","0.0009","90","","90","","90","","2404.8","0.2","100","","100","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C20 H35 N3 O6 -","- C20 H35 N3 O6 -","- C80 H140 N12 O24 -","4","1","","Mihye Lee; Jihyun Shim; Philjae Kang; Moon-Gun Choi; Soo Hyuk Choi","Stabilization of 11/9-helical alpha/beta-peptide foldamers in protic solvents","Chem.Commun.","2016","52","","5950","","","","","0.71073","MoKα","","0.0525","0.0355","","","0.0719","0.0779","","","","","","1.052","","","","has coordinates","183982","2020-10-21","18:00:00",""
"7119039","9.7107","0.0007","17.8054","0.0012","18.6925","0.0014","90","","90","","90","","3232","0.4","150","","150","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C29 H49 N5 O8 -","- C29 H49 N5 O8 -","- C116 H196 N20 O32 -","4","1","","Mihye Lee; Jihyun Shim; Philjae Kang; Moon-Gun Choi; Soo Hyuk Choi","Stabilization of 11/9-helical alpha/beta-peptide foldamers in protic solvents","Chem.Commun.","2016","52","","5950","","","","","0.71073","MoKα","","0.0299","0.0275","","","0.067","0.0686","","","","","","1.053","","","","has coordinates","183982","2020-10-21","18:00:00",""
"7119040","9.5052","0.0017","17.583","0.003","23.471","0.004","90","","90","","90","","3922.7","1.2","100","","100","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C31 H52 Cl3 N5 O8 -","- C31 H52 Cl3 N5 O8 -","- C124 H208 Cl12 N20 O32 -","4","1","","Mihye Lee; Jihyun Shim; Philjae Kang; Moon-Gun Choi; Soo Hyuk Choi","Stabilization of 11/9-helical alpha/beta-peptide foldamers in protic solvents","Chem.Commun.","2016","52","","5950","","","","","1.54178","CuKα","","0.0711","0.0682","","","0.1889","0.1943","","","","","","1.041","","","","has coordinates,has disorder","183982","2020-10-21","18:00:00",""
"7119041","8.28","0.007","11.804","0.01","12.324","0.01","64.811","0.014","88.065","0.015","80.753","0.017","1075","1.6","296","2","296.15","","","","","","","","","5","P -1","-P 1","2","","","","- C26 H25 N O S -","- C26 H25 N O S -","- C52 H50 N2 O2 S2 -","2","1","","Jia-Jia Zhao; Man Tang; Hong-Hao Zhang; Meng-Meng Xu; Feng Shi","Bronsted acid-catalyzed chemodivergent reactions of ortho-mercaptobenzyl alcohols with 3-alkyl-2-vinylindoles and styrenes: [5+2] cyclization versus hydroxysulfenylation","Chem.Commun.","2016","52","","5953","","","","","0.71073","MoKα","","0.1149","0.0534","","","0.1197","0.1454","","","","","","0.973","","","","has coordinates","183983","2020-10-21","18:00:00",""
"7119042","8.5603","0.0003","22.813","0.0007","17.3998","0.0006","90","","94.2688","0.0017","90","","3388.5","0.2","296","","296","","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C35 H42 O4 S3 -","- C35 H42 O4 S3 -","- C140 H168 O16 S12 -","4","1","","Jia-Jia Zhao; Man Tang; Hong-Hao Zhang; Meng-Meng Xu; Feng Shi","Bronsted acid-catalyzed chemodivergent reactions of ortho-mercaptobenzyl alcohols with 3-alkyl-2-vinylindoles and styrenes: [5+2] cyclization versus hydroxysulfenylation","Chem.Commun.","2016","52","","5953","","","","","0.71073","MoKα","","0.0417","0.0308","","","0.066","0.0712","","","","","","1.022","","","","has coordinates","183983","2020-10-21","18:00:00",""
"7119043","11.228","0.002","12.46","0.003","12.943","0.003","77.35","0.03","89.67","0.03","86.39","0.03","1763.2","0.7","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H14 F4 N2 O2 -","- C20 H14 F4 N2 O2 -","- C80 H56 F16 N8 O8 -","4","2","","Yingle Liu; Ke Zhang; Yangen Huang; Shen Pan; Xiao-Qiang Liu; Yi Yang; Yan Jiang; Xiu-Hua Xu","Synthesis of 3-fluoroalkenyl-3-trifluoromethyl-2-oxindoles by the reaction of indoline-2,3-diones with difluoromethylene phosphabetaine","Chem.Commun.","2016","52","","5969","","","","","1.54178","CuKα","","0.0523","0.0502","","","0.1424","0.1449","","","","","","1.035","","","","has coordinates","183984","2020-10-21","18:00:00",""
"7119044","15.667","0.002","15.136","0.002","7.3104","0.0011","90","","110.57","0.002","90","","1623","0.4","300","2","300","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","Fe(H2O)2(bpy)[Pt(CN)4]?H2O","","- C14 H8 Fe N6 O2 Pt -","- C14 H8 Fe N6 O2 Pt -","- C56 H32 Fe4 N24 O8 Pt4 -","4","0.5","","Tomoyuki Haraguchi; Kazuya Otsubo; Osami Sakata; Shogo Kawaguchi; Akihiko Fujiwara; Hiroshi Kitagawa","A three-dimensional accordion-like metal∓organic framework: synthesis and unconventional oriented growth on a surface","Chem.Commun.","2016","52","","6017","","","","","0.71073","MoKα","","0.0531","0.0501","","","0.1232","0.1257","","","","","","1.088","","","","has coordinates","183985","2020-10-21","18:00:00",""
"7119045","8.33","0.0017","12.431","0.003","9.528","0.0019","90","","93.09","0.03","90","","985.2","0.4","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C23 H17 N O4 S -","- C23 H17 N O4 S -","- C46 H34 N2 O8 S2 -","2","1","","Zhuang Song; Yizhou Wu; Tao Xin; Chao Jin; Xiaoan Wen; Hongbin Sun; Qing-Long Xu","The Rh(II)-catalyzed formal N-S bond insertion reaction of aryldiazoacetates into N-phenyl-sulfenyl phthalimide","Chem.Commun.","2016","52","","6079","","","","","0.71073","MoKα","","0.1107","0.0707","","","0.1655","0.1891","","","","","","1.011","","","","has coordinates","183988","2020-10-21","18:00:00",""
"7119046","43.889","0.006","31.033","0.004","26.186","0.004","90","","123.512","0.002","90","","29737","7","173.15","","173.15","","","","","","","","","9","C 1 2/m 1","-C 2y","12","","","","- C467 Ag120 B4 Cl4 F64 N10 O45 S24 Si8 -","- C467 Ag120 B4 Cl4 F64 N10 O45 S24 Si8 -","- C934 Ag240 B8 Cl8 F128 N20 O90 S48 Si16 -","2","0.25","","Zi-Yi Chen; Dennis Y. S. Tam; Thomas C. W. Mak","Ethynide-stabilized high-nuclearity silver(I) sulfido molecular clusters assembled using organic sulfide precursors","Chem.Commun.","2016","52","","6119","","","","","0.71073","MoKα","","0.117","0.0699","","","0.1842","0.2358","","","","","","1.066","","","","has coordinates,has disorder","183989","2020-10-21","18:00:00",""
"7119047","19.8433","0.0012","28.203","0.0016","23.1207","0.0013","90","","97.808","0.002","90","","12819.3","1.3","173","2","173","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C198 Ag46 B2 F8 N2 O14 S6 -","- C198 Ag46.012 B2 F8 N2 O14 S6 -","- C396 Ag92.024 B4 F16 N4 O28 S12 -","2","0.5","","Zi-Yi Chen; Dennis Y. S. Tam; Thomas C. W. Mak","Ethynide-stabilized high-nuclearity silver(I) sulfido molecular clusters assembled using organic sulfide precursors","Chem.Commun.","2016","52","","6119","","","","","0.71073","MoKα","","0.1054","0.0845","","","0.2325","0.248","","","","","","1.019","","","","has coordinates,has disorder","183989","2020-10-21","18:00:00",""
"7119048","11.2444","0.0003","26.1267","0.0005","20.6154","0.0004","90","","94.991","0.001","90","","6033.4","0.2","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","complex 3","","- C62.5 H75 Cl3 F5 N5 O W -","- C62.5 H75 Cl3 F5 N5 O W -","- C250 H300 Cl12 F20 N20 O4 W4 -","4","1","","Dominik A. Imbrich; Wolfgang Frey; Stefan Naumann; Michael R. Buchmeiser","Application of imidazolinium salts and N-heterocyclic olefins for the synthesis of anionic and neutral tungsten imido alkylidene complexes","Chem.Commun.","2016","52","","6099","","","","","0.71073","MoKα","","0.04","0.0271","","","0.0545","0.0571","","","","","","1.024","","","","has coordinates,has disorder","183990","2020-10-21","18:00:00",""
"7119049","11.7112","0.0007","20.3641","0.0013","21.9201","0.0014","103.305","0.003","97.459","0.002","100.855","0.003","4913.7","0.5","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","complex 6","","- C40.5 H58 Cl F6 N5 O6 S2 W -","- C40.5 H58 Cl F6 N5 O6 S2 W -","- C162 H232 Cl4 F24 N20 O24 S8 W4 -","4","2","","Dominik A. Imbrich; Wolfgang Frey; Stefan Naumann; Michael R. Buchmeiser","Application of imidazolinium salts and N-heterocyclic olefins for the synthesis of anionic and neutral tungsten imido alkylidene complexes","Chem.Commun.","2016","52","","6099","","","","","0.71073","MoKα","","0.0419","0.0276","","","0.0598","0.0633","","","","","","1.052","","","","has coordinates","183990","2020-10-21","18:00:00",""
"7119050","10.5591","0.0003","13.627","0.0005","21.2326","0.0007","86.879","0.002","81.476","0.002","88.576","0.002","3016.47","0.17","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","complex 4","","- C55 H76 Cl2 N4 W -","- C55 H76 Cl2 N4 W -","- C110 H152 Cl4 N8 W2 -","2","1","","Dominik A. Imbrich; Wolfgang Frey; Stefan Naumann; Michael R. Buchmeiser","Application of imidazolinium salts and N-heterocyclic olefins for the synthesis of anionic and neutral tungsten imido alkylidene complexes","Chem.Commun.","2016","52","","6099","","","","","0.71073","MoKα","","0.0404","0.0297","","","0.0532","0.055","","","","","","1.041","","","","has coordinates","183990","2020-10-21","18:00:00",""
"7119051","21.6865","0.0019","18.8737","0.0016","16.1005","0.0013","90","","106.667","0.003","90","","6313.1","0.9","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","complex 2","","- C58.5 H79 Cl8 N5 W -","- C58.5 H79 Cl8 N5 W -","- C234 H316 Cl32 N20 W4 -","4","1","","Dominik A. Imbrich; Wolfgang Frey; Stefan Naumann; Michael R. Buchmeiser","Application of imidazolinium salts and N-heterocyclic olefins for the synthesis of anionic and neutral tungsten imido alkylidene complexes","Chem.Commun.","2016","52","","6099","","","","","0.71073","MoKα","","0.08","0.0566","","","0.1458","0.1608","","","","","","1.064","","","","has coordinates","183990","2020-10-21","18:00:00",""
"7119052","16.634","0.002","18.391","0.003","18.849","0.003","88.309","0.013","76.986","0.006","82.645","0.011","5571.9","1.4","93","2","93","2","","","","","","","","4","P -1","-P 1","2","","","","- C124 H90 F40 N12 -","- C124 H90 F40 N12 -","- C248 H180 F80 N24 -","2","1","","Won-Young Cha; Takanori Soya; Takayuki Tanaka; Hirotaka Mori; Yongseok Hong; Sangsu Lee; Kyu Hyung Park; Atsuhiro Osuka; Dongho Kim","Multifaceted [36]octaphyrin(1.1.1.1.1.1.1.1): deprotonation-induced switching among nonaromatic, Mobius aromatic, and Huckel antiaromatic species","Chem.Commun.","2016","52","","6076","","","","","1.54187","CuKα","","0.085","0.0501","","","0.1105","0.1238","","","","","","1.068","","","","has coordinates,has disorder","183991","2020-10-21","18:00:00",""
"7119053","16.1117","0.0013","26.6027","0.0013","21.6003","0.0014","90","","100.029","0.006","90","","9116.7","1.1","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C182 H256 N2 O16 P8 Ru4 -","- C182 H256 N2 O16 P8 Ru4 -","- C364 H512 N4 O32 P16 Ru8 -","2","0.5","","Daniel Fink; Bernhard Weibert; Rainer F. Winter","Redox-active tetraruthenium metallacycles: reversible release of up to eight electrons resulting in strong electrochromism","Chem.Commun.","2016","52","","6103","","","","","0.71073","MoKα","","0.1305","0.097","","","0.2465","0.2634","","","","","","1.067","","","","has coordinates","183992","2020-10-21","18:00:00",""
"7119054","11.6168","0.0019","16.816","0.002","23.594","0.004","94.41","0.012","99.289","0.012","107.587","0.012","4297.1","1.2","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C148 H234 Cl16 N2 O16 P8 Ru4 -","- C148 H234 Cl16 N2 O16 P8 Ru4 -","- C148 H234 Cl16 N2 O16 P8 Ru4 -","1","0.5","","Daniel Fink; Bernhard Weibert; Rainer F. Winter","Redox-active tetraruthenium metallacycles: reversible release of up to eight electrons resulting in strong electrochromism","Chem.Commun.","2016","52","","6103","","","","","0.71073","MoKα","","0.1538","0.0951","","","0.2303","0.2646","","","","","","0.981","","","","has coordinates","204124","2020-10-21","18:00:00",""
"7119055","10.3736","0.0003","13.2432","0.0004","13.7718","0.0004","99.178","0.002","107.636","0.001","97.263","0.002","1748.99","0.09","100","","100","","","","","","","","","6","P 1","P 1","1","","","","- C72 H64 Cl4 N2 P2 Ru2 -","- C72 H64 Cl4 N2 P2 Ru2 -","- C72 H64 Cl4 N2 P2 Ru2 -","1","1","","Demyan E. Prokopchuk; Alan J. Lough; Rafael E. Rodriguez-Lugo; Robert H. Morris; Hansjorg Grutzmacher","Insights into metal-ligand hydrogen transfer: a square-planar ruthenate complex supported by a tetradentate amino-amido-diolefin ligand","Chem.Commun.","2016","52","","6138","","","","","0.71073","MoKα","","0.057","0.0456","","","0.1028","0.1089","","","","","","1.021","","","","has coordinates,has disorder","204124","2020-10-21","18:00:00",""
"7119056","9.121","0.002","15.475","0.003","21.72","0.005","90","","92.615","0.005","90","","3062.5","1.1","100","2","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C40 H42 N2 O Ru -","- C40 H42 N2 O Ru -","- C160 H168 N8 O4 Ru4 -","4","1","","Demyan E. Prokopchuk; Alan J. Lough; Rafael E. Rodriguez-Lugo; Robert H. Morris; Hansjorg Grutzmacher","Insights into metal-ligand hydrogen transfer: a square-planar ruthenate complex supported by a tetradentate amino-amido-diolefin ligand","Chem.Commun.","2016","52","","6138","","","","","0.71073","MoKα","","0.1213","0.0558","","","0.0926","0.1146","","","","","","0.985","","","","has coordinates","204124","2020-10-21","18:00:00",""
"7119057","11.8733","0.0006","24.8708","0.0012","17.2324","0.0009","90","","95.965","0.002","90","","5061.1","0.4","147","2","147","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C56 H73 K N2 O8 Ru -","- C56 H73 K N2 O8 Ru -","- C224 H292 K4 N8 O32 Ru4 -","4","1","","Demyan E. Prokopchuk; Alan J. Lough; Rafael E. Rodriguez-Lugo; Robert H. Morris; Hansjorg Grutzmacher","Insights into metal-ligand hydrogen transfer: a square-planar ruthenate complex supported by a tetradentate amino-amido-diolefin ligand","Chem.Commun.","2016","52","","6138","","","","","0.71073","MoKα","","0.0992","0.0544","","","0.1057","0.1245","","","","","","1.051","","","","has coordinates,has disorder","183993","2020-10-21","18:00:00",""
"7119058","12.919","0.002","15.875","0.003","17.332","0.003","90","","90","","90","","3554.6","1.1","153","2","153","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(3aS,3'R,4S,6R,6aS)-Tri-tert-butyl 4-(2-bromophenyl)-1,2',3-trioxo-3a,4,6,6a-tetrahydro -1H-spiro[cyclopenta[c]pyrrole-5,3'-indoline]-1',2,6(3H)-tricarboxylate","","- C35 H39 Br N2 O9 -","- C35 H39 Br N2 O9 -","- C140 H156 Br4 N8 O36 -","4","1","","Bo-Liang Zhao; Da-Ming Du","Organocatalytic cascade Michael/Michael reaction for the asymmetric synthesis of spirooxindoles containing five contiguous stereocenters","Chem.Commun.","2016","52","","6162","","","","","0.71073","MoKα","","0.0559","0.0434","","","0.0524","0.0559","","","","","","0.998","","","","has coordinates","183994","2020-10-21","18:00:00",""
"7119059","11.6454","0.0007","12.5993","0.0006","21.7275","0.0014","90","","104.608","0.002","90","","3084.9","0.3","150","2","150","2","","","","","","","synthesized by the authors","6","P 1 21 1","P 2yb","4","","","","- C30 H27.5 F6 N2.5 O6 S2 -","- C30 H27.5 F6 N2.5 O6 S2 -","- C120 H110 F24 N10 O24 S8 -","4","2","","Jaroslav Sebestik; Filip Teply; Ivana Cisarova; Jan Vavra; Dusan Koval; Petr Bour","Intense chirality induction in nitrile solvents by a helquat dye monitored by near resonance Raman scattering","Chem.Commun.","2016","52","","6257","","","","","0.71073","MoKα","","0.051","0.0401","","","0.1025","0.1102","","","","","","1.018","","","","has coordinates","193656","2020-10-21","18:00:00",""
"7119060","7.9386","0.0002","17.6476","0.0004","19.6814","0.0004","90","","90","","90","","2757.31","0.11","150","2","150","2","","","","","","","synthesized by the authors","5","P 21 21 21","P 2ac 2ab","19","","","","- C28 H29 I2 N3 O2 -","- C28 H29 I2 N3 O2 -","- C112 H116 I8 N12 O8 -","4","1","","Jaroslav Sebestik; Filip Teply; Ivana Cisarova; Jan Vavra; Dusan Koval; Petr Bour","Intense chirality induction in nitrile solvents by a helquat dye monitored by near resonance Raman scattering","Chem.Commun.","2016","52","","6257","","","","","0.71073","MoKα","","0.0199","0.0181","","","0.0417","0.0425","","","","","","1.039","","","","has coordinates","184013","2020-10-21","18:00:00",""
"7119061","20.8179","0.0009","19.5864","0.001","24.4923","0.0013","90","","90","","90","","9986.7","0.9","","","","","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C41 H38 Dy F9 N14 O9 S3 -","- C41 H38 Dy F9 N14 O9 S3 -","- C328 H304 Dy8 F72 N112 O72 S24 -","8","1","","Zhong-Xia Jiang; Jun-Liang Liu; Yan-Cong Chen; Jiang Liu; Jian-Hua Jia; Ming-Liang Tong","Lanthanoid single-ion magnets with the LnN10 coordination geometry","Chem.Commun.","2016","52","","6261","","","","","","","","0.129","","","","","","","","","","","","","","","has coordinates","191065","2020-10-21","18:00:00",""
"7119062","20.69","0.0004","19.5456","0.0005","24.427","0.0005","90","","90","","90","","9878.2","0.4","150","2","150","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C41 H38 Er F9 N14 O9 S3 -","- C41 H38 Er F9 N14 O9 S3 -","- C328 H304 Er8 F72 N112 O72 S24 -","8","1","","Zhong-Xia Jiang; Jun-Liang Liu; Yan-Cong Chen; Jiang Liu; Jian-Hua Jia; Ming-Liang Tong","Lanthanoid single-ion magnets with the LnN10 coordination geometry","Chem.Commun.","2016","52","","6261","","","","","0.71073","MoKα","","0.0586","0.0475","","","0.1133","0.12","","","","","","1.038","","","","has coordinates","184029","2020-10-21","18:00:00",""
"7119063","19.2951","0.0009","13.6381","0.0004","19.3808","0.0008","90","","119.209","0.005","90","","4451.5","0.4","150","2","150","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","5-(benzo[d][1,3]dioxol-5-ylmethyl)-4-(tert-butyl)-N-(2-methylquinolin-8-yl)thiazol-2-amine","","- C25 H25 N3 O2 S -","- C25 H25 N3 O2 S -","- C200 H200 N24 O16 S8 -","8","1","","Wu, Z. L.; Fang, Y. L.; Tang, Y. T.; Xiao, M. W.; Ye, J.; Li, G. X.; Hu, A. X.","Synthesis and antitumor evaluation of 5-(benzo[d][1,3]dioxol-5-ylmethyl)-4-(tert-butyl)-N-arylthiazol-2-amines","Med. Chem. Commun.","2016","7","9","1768","","10.1039/C6MD00234J","","","0.71073","MoKα","","0.0538","0.043","","","0.1074","0.1164","","","","","","1.046","","","","has coordinates,has disorder","187154","2020-10-21","18:00:00",""
"7119064","11.1272","0.0003","13.525","0.0004","13.4866","0.0004","90","","104.147","0.003","90","","1968.11","0.1","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C40 H40 Cl4 Cu4 N2 P2 -","- C40 H40 Cl4 Cu4 N2 P2 -","- C80 H80 Cl8 Cu8 N4 P4 -","2","0.5","","Xu-Lin Chen; Rongmin Yu; Xiao-Yuan Wu; Dong Liang; Ji-Hui Jia; Can-Zhong Lu","A strongly greenish-blue-emitting Cu4Cl4 cluster with an efficient spin-orbit coupling (SOC): fast phosphorescence versus thermally activated delayed fluorescence","Chem.Commun.","2016","52","","6288","","","","","0.71073","MoKα","","0.0525","0.0451","","","0.1291","0.1369","","","","","","1.078","","","","has coordinates","184109","2020-10-21","18:00:00",""
"7119065","9.4353","0.0013","17.316","0.002","11.6428","0.0017","90","","92.321","0.003","90","","1900.7","0.4","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C22 H18 N2 O3 S -","- C22 H18 N2 O3 S -","- C88 H72 N8 O12 S4 -","4","1","","Ming Chen; Ning Sun; Haoyi Chen; Yuanhong Liu","Dioxazoles, a new mild nitrene transfer reagent in gold catalysis: highly efficient synthesis of functionalized oxazoles","Chem.Commun.","2016","52","","6324","","","","","0.71073","MoKα","","0.0614","0.0465","","","0.1159","0.1255","","","","","","1.038","","","","has coordinates","184110","2020-10-21","18:00:00",""
"7119066","18.929","0.009","12.43","0.006","8.472","0.004","90","","91.235","0.013","90","","1992.9","1.6","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C23 H18 N2 O3 S2 -","- C23 H18 N2 O3 S2 -","- C92 H72 N8 O12 S8 -","4","1","","Ming Chen; Ning Sun; Haoyi Chen; Yuanhong Liu","Dioxazoles, a new mild nitrene transfer reagent in gold catalysis: highly efficient synthesis of functionalized oxazoles","Chem.Commun.","2016","52","","6324","","","","","0.71073","MoKα","","0.0911","0.0529","","","0.1062","0.1218","","","","","","0.995","","","","has coordinates","184110","2020-10-21","18:00:00",""
"7119067","11.4418","0.0008","11.4418","0.0008","23.88","0.003","90","","90","","120","","2707.4","0.4","293","2","293","2","","","","","","","","7","P 32 2 1","P 32 2""","154","","","","- C29 H36 Au F6 N3 O4 S2 -","- C29 H36 Au F6 N3 O4 S2 -","- C87 H108 Au3 F18 N9 O12 S6 -","3","0.5","","Ming Chen; Ning Sun; Haoyi Chen; Yuanhong Liu","Dioxazoles, a new mild nitrene transfer reagent in gold catalysis: highly efficient synthesis of functionalized oxazoles","Chem.Commun.","2016","52","","6324","","","","","0.71073","MoKα","","0.0313","0.028","","","0.061","0.062","","","","","","1.006","","","","has coordinates","184110","2020-10-21","18:00:00",""
"7119068","12.2213","0.0006","16.2437","0.0009","22.0973","0.0012","97.7","0.003","93.029","0.003","106.714","0.002","4144.2","0.4","123","2","123","2","","","","","","","","4","P -1","-P 1","2","","","","- C94.45 H106.45 N6 P2 -","- C62 H74 N6 P2 -","- C124 H148 N12 P4 -","2","1","","Alexander Hinz; Axel Schulz; Alexander Villinger","On the behaviour of biradicaloid [P(mu-NTer)]2 towards Lewis acids and bases","Chem.Commun.","2016","52","","6328","","","","","0.71073","MoKα","","0.0817","0.0526","","","0.133","0.1424","","","","","","0.958","","","","has coordinates,has disorder","184111","2020-10-21","18:00:00",""
"7119069","10.94","0.0009","11.9932","0.0014","21.421","0.003","87.907","0.002","76.158","0.002","65.57","0.002","2478.4","0.5","123","2","123","2","","","","","","","","6","P -1","-P 1","2","","","","- C56.95 H58.95 Au Cl N2 P2 -","- C56.9634 H58.9634 Au Cl N2 P2 -","- C113.927 H117.927 Au2 Cl2 N4 P4 -","2","1","","Alexander Hinz; Axel Schulz; Alexander Villinger","On the behaviour of biradicaloid [P(mu-NTer)]2 towards Lewis acids and bases","Chem.Commun.","2016","52","","6328","","","","","0.71073","MoKα","","0.0563","0.0356","","","0.0656","0.0715","","","","","","1.023","","","","has coordinates,has disorder","184111","2020-10-21","18:00:00",""
"7119070","11.168","0.005","12.029","0.005","18.686","0.005","94.538","0.005","94.411","0.005","114.833","0.005","2254.1","1.5","123","2","123","2","","","","","","","","6","P -1","-P 1","2","","","","- C51 H53 Au1.33 Cl1.33 N2 P2 -","- C51 H53 Au1.332 Cl1.332 N2 P2 -","- C102 H106 Au2.664 Cl2.664 N4 P4 -","2","1","","Alexander Hinz; Axel Schulz; Alexander Villinger","On the behaviour of biradicaloid [P(mu-NTer)]2 towards Lewis acids and bases","Chem.Commun.","2016","52","","6328","","","","","0.71073","MoKα","","0.0522","0.0434","","","0.1011","0.1034","","","","","","1.327","","","","has coordinates,has disorder","184111","2020-10-21","18:00:00",""
"7119071","11.243","0.0007","12.0524","0.0007","18.7795","0.0011","94.113","0.003","94.288","0.003","114.879","0.003","2287.1","0.2","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C51 H53 Au1.44 Cl1.44 N2 P2 -","- C51 H53 Au1.4413 Cl1.4413 N2 P2 -","- C102 H106 Au2.8826 Cl2.8826 N4 P4 -","2","1","","Alexander Hinz; Axel Schulz; Alexander Villinger","On the behaviour of biradicaloid [P(mu-NTer)]2 towards Lewis acids and bases","Chem.Commun.","2016","52","","6328","","","","","0.71073","MoKα","","0.0765","0.0498","","","0.0861","0.0932","","","","","","1.095","","","","has coordinates","184111","2020-10-21","18:00:00",""
"7119072","9.7639","0.0011","19.413","0.002","10.4751","0.0012","90","","105.633","0.001","90","","1912.1","0.4","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C25 H14 F N O4 -","- C25 H14 F N O4 -","- C100 H56 F4 N4 O16 -","4","1","","Rong-Guo Shi; Xiao-Hua Wang; Ruzhang Liu; Chao-Guo Yan","Two-carbon ring expansion of isatin: a convenient construction of a dibenzo[b,d]azepinone scaffold","Chem.Commun.","2016","52","","6280","","","","","0.71073","MoKα","","0.0522","0.0414","","","0.1027","0.1107","","","","","","1.031","","","","has coordinates","184112","2020-10-21","18:00:00",""
"7119073","11.2312","0.0012","16.239","0.002","22.524","0.002","90","","90","","90","","4108","0.8","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C26 H17 N O5 -","- C26 H17 N O5 -","- C208 H136 N8 O40 -","8","2","","Rong-Guo Shi; Xiao-Hua Wang; Ruzhang Liu; Chao-Guo Yan","Two-carbon ring expansion of isatin: a convenient construction of a dibenzo[b,d]azepinone scaffold","Chem.Commun.","2016","52","","6280","","","","","0.71073","MoKα","","0.1101","0.0501","","","0.0828","0.0967","","","","","","1.014","","","","has coordinates","184112","2020-10-21","18:00:00",""
"7119074","10.033","0.004","19.091","0.008","10.544","0.005","90","","107.453","0.011","90","","1926.6","1.4","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C25 H13 F2 N O4 -","- C25 H13 F2 N O4 -","- C100 H52 F8 N4 O16 -","4","1","","Rong-Guo Shi; Xiao-Hua Wang; Ruzhang Liu; Chao-Guo Yan","Two-carbon ring expansion of isatin: a convenient construction of a dibenzo[b,d]azepinone scaffold","Chem.Commun.","2016","52","","6280","","","","","0.71073","MoKα","","0.1723","0.0605","","","0.1167","0.1387","","","","","","0.917","","","","has coordinates","184112","2020-10-21","18:00:00",""
"7119075","9.9815","0.0012","10.7217","0.0012","10.8522","0.0013","66.536","0.003","86.529","0.004","76.874","0.003","1036.9","0.2","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C25 H13 Cl F N O4 -","- C25 H13 Cl F N O4 -","- C50 H26 Cl2 F2 N2 O8 -","2","1","","Rong-Guo Shi; Xiao-Hua Wang; Ruzhang Liu; Chao-Guo Yan","Two-carbon ring expansion of isatin: a convenient construction of a dibenzo[b,d]azepinone scaffold","Chem.Commun.","2016","52","","6280","","","","","0.71073","MoKα","","0.0936","0.0658","","","0.16","0.1765","","","","","","1.053","","","","has coordinates","184112","2020-10-21","18:00:00",""
"7119076","11.727","0.006","12.81","0.006","12.935","0.006","103.837","0.013","115.433","0.012","91.903","0.014","1683.3","1.4","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H12 F N O5 -","- C20 H12 F N O5 -","- C80 H48 F4 N4 O20 -","4","2","","Rong-Guo Shi; Xiao-Hua Wang; Ruzhang Liu; Chao-Guo Yan","Two-carbon ring expansion of isatin: a convenient construction of a dibenzo[b,d]azepinone scaffold","Chem.Commun.","2016","52","","6280","","","","","0.71073","MoKα","","0.2987","0.0904","","","0.1861","0.232","","","","","","0.848","","","","has coordinates","184112","2020-10-21","18:00:00",""
"7119077","22.142","0.002","15.2704","0.0016","12.2599","0.0017","90","","115.973","0.004","90","","3726.6","0.7","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C21 H14 Cl N O5 -","- C21 H14 Cl N O5 -","- C168 H112 Cl8 N8 O40 -","8","1","","Rong-Guo Shi; Xiao-Hua Wang; Ruzhang Liu; Chao-Guo Yan","Two-carbon ring expansion of isatin: a convenient construction of a dibenzo[b,d]azepinone scaffold","Chem.Commun.","2016","52","","6280","","","","","0.71073","MoKα","","0.0758","0.056","","","0.1484","0.1636","","","","","","1.036","","","","has coordinates","184112","2020-10-21","18:00:00",""
"7119078","12.8577","0.0007","14.7678","0.0008","16.2529","0.0008","90","","112.154","0.0018","90","","2858.3","0.3","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C30 H21 N3 O5 -","- C30 H21 N3 O5 -","- C120 H84 N12 O20 -","4","1","","Rong-Guo Shi; Xiao-Hua Wang; Ruzhang Liu; Chao-Guo Yan","Two-carbon ring expansion of isatin: a convenient construction of a dibenzo[b,d]azepinone scaffold","Chem.Commun.","2016","52","","6280","","","","","0.71073","MoKα","","0.1104","0.0659","","","0.1613","0.1825","","","","","","1.02","","","","has coordinates","184112","2020-10-21","18:00:00",""
"7119079","11.783","0.0018","13.245","0.002","15.8627","0.0018","90","","94.265","0.004","90","","2468.8","0.6","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C25 H17 Cl N2 O5 -","- C25 H17 Cl N2 O5 -","- C100 H68 Cl4 N8 O20 -","4","1","","Rong-Guo Shi; Xiao-Hua Wang; Ruzhang Liu; Chao-Guo Yan","Two-carbon ring expansion of isatin: a convenient construction of a dibenzo[b,d]azepinone scaffold","Chem.Commun.","2016","52","","6280","","","","","0.71073","MoKα","","0.0621","0.0473","","","0.1283","0.1341","","","","","","1.065","","","","has coordinates","205752","2020-10-21","18:00:00",""
"7119080","15.9209","0.0001","19.4144","0.0002","16.2447","0.0002","90","","103.631","0.001","90","","4879.72","0.09","140","2","140","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C27 H39 Cl Cu N -","- C27 H39 Cl Cu N -","- C216 H312 Cl8 Cu8 N8 -","8","2","","Alexander S. Romanov; Dawei Di; Le Yang; Julio Fernandez-Cestau; Ciaran R. Becker; Charlotte E. James; Bonan Zhu; Mikko Linnolahti; Dan Credgington; Manfred Bochmann","Highly photoluminescent copper carbene complexes based on prompt rather than delayed fluorescence","Chem.Commun.","2016","52","","6379","","","","","0.71073","MoKα","","0.0447","0.0334","","","0.0786","0.0838","","","","","","0.994","","","","has coordinates","184113","2020-10-21","18:00:00",""
"7119081","11.1918","0.0002","11.9685","0.0002","20.7901","0.0004","101.52","0.002","94.798","0.001","94.419","0.001","2706.59","0.09","140","2","140","2","","","","","","","","6","P -1","-P 1","2","","","","- C27.5 H40 Cl Cu I N -","- C27.5 H40 Cl Cu I N -","- C110 H160 Cl4 Cu4 I4 N4 -","4","2","","Alexander S. Romanov; Dawei Di; Le Yang; Julio Fernandez-Cestau; Ciaran R. Becker; Charlotte E. James; Bonan Zhu; Mikko Linnolahti; Dan Credgington; Manfred Bochmann","Highly photoluminescent copper carbene complexes based on prompt rather than delayed fluorescence","Chem.Commun.","2016","52","","6379","","","","","0.71073","MoKα","","0.0289","0.0222","","","0.055","0.0574","","","","","","1.004","","","","has coordinates","193656","2020-10-21","18:00:00",""
"7119082","16.0878","0.0002","19.4137","0.0003","16.2912","0.0003","90","","103.54","0.002","90","","4946.71","0.14","140","2","140","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C27 H39 Br Cu N -","- C27 H39 Br Cu N -","- C216 H312 Br8 Cu8 N8 -","8","2","","Alexander S. Romanov; Dawei Di; Le Yang; Julio Fernandez-Cestau; Ciaran R. Becker; Charlotte E. James; Bonan Zhu; Mikko Linnolahti; Dan Credgington; Manfred Bochmann","Highly photoluminescent copper carbene complexes based on prompt rather than delayed fluorescence","Chem.Commun.","2016","52","","6379","","","","","0.71073","MoKα","","0.0643","0.0512","","","0.1479","0.1574","","","","","","1.034","","","","has coordinates","184113","2020-10-21","18:00:00",""
"7119083","13.4447","0.0004","19.4178","0.0011","9.8391","0.0006","90","","91.496","0.001","90","","2567.8","0.2","200","2","200","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","hg01_48_LT","","","- C18 H14 Fe -","- C18 H14 Fe -","- C144 H112 Fe8 -","8","2","","Antonio Urbano; Gloria Hernandez-Torres; Ana M. del Hoyo; Alicia Martinez-Carrion; M. Carmen Carreno","Mild access to planar-chiral ortho-condensed aromatic ferrocenes via gold(I)-catalyzed cycloisomerization of ortho-alkynylaryl ferrocenes","Chem.Commun.","2016","52","","6419","","","","","0.71073","","","0.0469","0.0308","","","0.0699","0.0777","","","","","","1.034","","","","has coordinates","184114","2020-10-21","18:00:00",""
"7119084","7.8273","0.0013","7.8273","0.0013","47.227","0.009","90","","90","","90","","2893.4","0.9","200","2","200","2","","","","","","","","4","P 41 21 2","P 4abw 2nw","92","hg_m-OMe_R1140_LT","","","- C19 H16 Fe O -","- C19 H16 Fe O -","- C152 H128 Fe8 O8 -","8","1","","Antonio Urbano; Gloria Hernandez-Torres; Ana M. del Hoyo; Alicia Martinez-Carrion; M. Carmen Carreno","Mild access to planar-chiral ortho-condensed aromatic ferrocenes via gold(I)-catalyzed cycloisomerization of ortho-alkynylaryl ferrocenes","Chem.Commun.","2016","52","","6419","","","","","0.71073","","","0.1172","0.0751","","","0.1647","0.1839","","","","","","1.031","","","","has coordinates","184114","2020-10-21","18:00:00",""
"7119085","13.2706","0.0007","15.2693","0.0009","16.3133","0.0009","101.437","0.0012","110.526","0.0011","102.271","0.0012","2887.5","0.3","123","","123","","","","","","","","","5","P -1","-P 1","2","","","","- C122 H74 B2 F48 Pd4 -","- C122 H74 B2 F48 Pd4 -","- C122 H74 B2 F48 Pd4 -","1","0.5","","Kohei Masai; Katsunori Shirato; Koji Yamamoto; Yuki Kurashige; Tetsuro Murahashi","A mechanistic insight into metal-cluster pi-envelopment: a dual binding mode involving bent and planar ligand-conformers","Chem.Commun.","2016","52","","6427","","","","","0.71075","MoKα","","","0.0723","","","","0.1887","","","","","","1.152","","","","has coordinates","184117","2020-10-21","18:00:00",""
"7119086","14.2381","0.0006","15.6226","0.0007","28.2509","0.0012","81.3277","0.0009","79.8346","0.0009","77.6849","0.001","6001.1","0.4","123","","123","","","","","","","","","6","P -1","-P 1","2","","","","- C128 H78 B2 Cl2 F48 Pd4 -","- C128 H78 B2 Cl2 F48 Pd4 -","- C256 H156 B4 Cl4 F96 Pd8 -","2","1","","Kohei Masai; Katsunori Shirato; Koji Yamamoto; Yuki Kurashige; Tetsuro Murahashi","A mechanistic insight into metal-cluster pi-envelopment: a dual binding mode involving bent and planar ligand-conformers","Chem.Commun.","2016","52","","6427","","","","","0.71075","MoKα","","","0.0818","","","","0.2773","","","","","","0.952","","","","has coordinates","184117","2020-10-21","18:00:00",""
"7119087","18.5114","0.0007","21.0181","0.0007","19.5326","0.0007","90","","111.452","0.0009","90","","7073.2","0.4","123","","123","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C153 H106 B2 Cl2 F48 Pd4 -","- C153 H106 B2 Cl2 F48 Pd4 -","- C306 H212 B4 Cl4 F96 Pd8 -","2","1","","Kohei Masai; Katsunori Shirato; Koji Yamamoto; Yuki Kurashige; Tetsuro Murahashi","A mechanistic insight into metal-cluster pi-envelopment: a dual binding mode involving bent and planar ligand-conformers","Chem.Commun.","2016","52","","6427","","","","","0.71075","MoKα","","0.0678","0.0538","","","0.1411","0.1572","","","","","","1.05","","","","has coordinates","184117","2020-10-21","18:00:00",""
"7119088","10.394","0.0002","16.6422","0.0003","15.389","0.0002","90","","108.771","0.0008","90","","2520.39","0.08","200","2","200","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","5a in manuscript","","","- C27 H21 Au B Cl F4 N P -","- C27 H21 Au1.0227 B Cl F4 N P -","- C108 H84 Au4.0908 B4 Cl4 F16 N4 P4 -","4","1","","Long Huang; Frank Rominger; Matthias Rudolph; A. Stephen K. Hashmi","A general access to organogold(III) complexes by oxidative addition of diazonium salts","Chem.Commun.","2016","52","","6435","","","","","0.71073","MoKα","","0.0382","0.0266","","","0.0607","0.0651","","","","","","1.041","","","","has coordinates,has disorder","184118","2020-10-21","18:00:00",""
"7119089","9.3558","0.0001","11.4552","0.0002","13.9422","0.0002","86.4666","0.0008","70.5144","0.0007","67.9291","0.0007","1301.94","0.03","200","2","200","2","","","","","","","","8","P -1","-P 1","2","5d in manuscript","","","- C27 H20 Au B Cl2 F4 N P -","- C27 H20 Au B Cl2 F4 N P -","- C54 H40 Au2 B2 Cl4 F8 N2 P2 -","2","1","","Long Huang; Frank Rominger; Matthias Rudolph; A. Stephen K. Hashmi","A general access to organogold(III) complexes by oxidative addition of diazonium salts","Chem.Commun.","2016","52","","6435","","","","","0.71073","MoKα","","0.0297","0.0246","","","0.0515","0.0529","","","","","","1.03","","","","has coordinates,has disorder","184118","2020-10-21","18:00:00",""
"7119090","12.1272","0.0004","14.5748","0.0005","18.6371","0.0005","90","","96.632","0.003","90","","3272.09","0.18","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","7c in manuscript","","","- C26.5 H38.5 Au Cl6.5 F3 P -","- C26.5 H38.5 Au Cl6.5 F3 P -","- C106 H154 Au4 Cl26 F12 P4 -","4","1","","Long Huang; Frank Rominger; Matthias Rudolph; A. Stephen K. Hashmi","A general access to organogold(III) complexes by oxidative addition of diazonium salts","Chem.Commun.","2016","52","","6435","","","","","1.54178","CuKα","","0.0687","0.051","","","0.1312","0.1434","","","","","","1.122","","","","has coordinates,has disorder","184118","2020-10-21","18:00:00",""
"7119091","7.6257","0.0003","25.7293","0.001","10.2076","0.0006","90","","92.279","0.004","90","","2001.19","0.16","119.99","0.14","119.99","0.14","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Compound 1","","- C12 H28.5 B10 Br N2.5 -","- C12 H28.5 B10 Br N2.5 -","- C48 H114 B40 Br4 N10 -","4","1","","Jordan Holmes; Christopher M. Pask; Mark A. Fox; Charlotte E. Willans","Tethered N-heterocyclic carbene-carboranes: unique ligands that exhibit unprecedented and versatile coordination modes at rhodium","Chem.Commun.","2016","52","","6443","","","","x-ray","0.71073","MoKα","","0.0575","0.0422","","","0.0911","0.0969","","","","","","1.053","","","","has coordinates,has disorder","184125","2020-10-21","18:00:00",""
"7119092","15.6541","0.0015","13.7503","0.0014","18.375","0.0018","90","","115.101","0.005","90","","3581.7","0.6","150","2","150.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C11 H27 B9 N2 -","- C11 H27 B9 N2 -","- C88 H216 B72 N16 -","8","2","","Jordan Holmes; Christopher M. Pask; Mark A. Fox; Charlotte E. Willans","Tethered N-heterocyclic carbene-carboranes: unique ligands that exhibit unprecedented and versatile coordination modes at rhodium","Chem.Commun.","2016","52","","6443","","","","","0.71073","MoKα","","0.0605","0.0462","","","0.1191","0.1306","","","","","","1.026","","","","has coordinates","184125","2020-10-21","18:00:00",""
"7119093","11.9249","0.0005","23.7834","0.0011","25.2349","0.0011","90","","90","","90","","7157","0.5","120","0.11","120","0.11","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C31 H55 B9 N4 Rh2 -","- C31 H55 B9 N4 Rh2 -","- C248 H440 B72 N32 Rh16 -","8","1","","Jordan Holmes; Christopher M. Pask; Mark A. Fox; Charlotte E. Willans","Tethered N-heterocyclic carbene-carboranes: unique ligands that exhibit unprecedented and versatile coordination modes at rhodium","Chem.Commun.","2016","52","","6443","","","","","0.71073","MoKα","","0.0741","0.0505","","","0.0905","0.0997","","","","","","1.041","","","","has coordinates","184125","2020-10-21","18:00:00",""
"7119094","11.1781","0.0005","12.5631","0.0005","14.8258","0.0007","111.322","0.004","92.917","0.004","105.326","0.004","1845.32","0.16","120.01","0.11","120.01","0.11","","","","","","","","6","P -1","-P 1","2","","","","- C32 H58 B9 N3 O Rh2 -","- C32 H58 B9 N3 O Rh2 -","- C64 H116 B18 N6 O2 Rh4 -","2","1","","Jordan Holmes; Christopher M. Pask; Mark A. Fox; Charlotte E. Willans","Tethered N-heterocyclic carbene-carboranes: unique ligands that exhibit unprecedented and versatile coordination modes at rhodium","Chem.Commun.","2016","52","","6443","","","","x-ray","0.71073","MoKα","","0.049","0.0387","","","0.0791","0.0855","","","","","","1.037","","","","has coordinates","184125","2020-10-21","18:00:00",""
"7119095","10.7898","0.0006","11.4212","0.0012","14.8764","0.0014","71.73","0.009","83.274","0.006","69.415","0.008","1629.6","0.3","120.01","0.1","120.01","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C29 H54 B9 N2 O0.5 Rh2 -","- C29 H54 B9 N2 O0.5 Rh2 -","- C58 H108 B18 N4 O Rh4 -","2","1","","Jordan Holmes; Christopher M. Pask; Mark A. Fox; Charlotte E. Willans","Tethered N-heterocyclic carbene-carboranes: unique ligands that exhibit unprecedented and versatile coordination modes at rhodium","Chem.Commun.","2016","52","","6443","","","","","0.71073","MoKα","","0.0761","0.0512","","","0.1055","0.1177","","","","","","1.038","","","","has coordinates,has disorder","184125","2020-10-21","18:00:00",""
"7119096","12.3894","0.0004","15.3629","0.0005","13.6908","0.0004","90","","93.441","0.003","90","","2601.17","0.14","290.87","0.1","290.87","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C19 H38 B10 Cl N2 Rh -","- C19 H38 B10 Cl N2 Rh -","- C76 H152 B40 Cl4 N8 Rh4 -","4","1","","Jordan Holmes; Christopher M. Pask; Mark A. Fox; Charlotte E. Willans","Tethered N-heterocyclic carbene-carboranes: unique ligands that exhibit unprecedented and versatile coordination modes at rhodium","Chem.Commun.","2016","52","","6443","","","","x-ray","0.71073","MoKα","","0.0811","0.0537","","","0.1173","0.1305","","","","","","1.048","","","","has coordinates","184125","2020-10-21","18:00:00",""
"7119097","17.2832","0.0005","10.5283","0.0002","14.1775","0.0004","90","","113.02","0.003","90","","2374.34","0.12","119.99","0.1","119.99","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H37 B10 N2 Rh -","- C19 H37 B10 N2 Rh -","- C76 H148 B40 N8 Rh4 -","4","1","","Jordan Holmes; Christopher M. Pask; Mark A. Fox; Charlotte E. Willans","Tethered N-heterocyclic carbene-carboranes: unique ligands that exhibit unprecedented and versatile coordination modes at rhodium","Chem.Commun.","2016","52","","6443","","","","x-ray","0.71073","MoKα","","0.0565","0.0443","","","0.1013","0.1155","","","","","","1.097","","","","has coordinates","184125","2020-10-21","18:00:00",""
"7119098","5.8458","0.0003","12.3784","0.0006","16.7657","0.0012","90","","98.058","0.006","90","","1201.22","0.12","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","(2S,3S)-3,7-dimethyl-2-(5-methyl-2-oxohexyl)-3- ((E)-6-methyl-3-oxohept-1-en-1-yl)-3,4-dihydronaphthalen-1(2H)-one","","- C27 H38 O3 -","- C27 H38 O3 -","- C54 H76 O6 -","2","1","","Qiqiao Lin; Yuanzhen Li; Deb Kumar Das; Guoxiang Zhang; Zhifei Zhao; Shuang Yang; Xinqiang Fang","N-Heterocyclic carbene-catalyzed desymmetrization of functionalized 1,4-dienes via Stetter Reaction","Chem.Commun.","2016","52","","6459","","","","","1.54184","CuKα","","0.0457","0.0422","","","0.1127","0.1185","","","","","","1.045","","","","has coordinates","184126","2020-10-21","18:00:00",""
"7119099","34.4885","0.0002","34.4885","0.0002","34.4885","0.0002","90","","90","","90","","41022.6","0.4","293","2","293","2","","","","","","","","5","I a -3 d","-I 4bd 2c 3","230","","","","- C384 H288 Cu4.8 N288 Zn43.2 -","- C384 H288 Cu4.8 N288 Zn43.2 -","- C768 H576 Cu9.6 N576 Zn86.4 -","2","0.0208333","","Xiao-Wei Zhu; Xiao-Ping Zhou; Dan Li","Exceptionally water stable heterometallic gyroidal MOFs: tuning the porosity and hydrophobicity by doping metal ions","Chem.Commun.","2016","52","","6513","","10.1039/C6CC02116F","","","1.54178","CuKα","","0.1111","0.0602","","","0.1592","0.1865","","","","","","0.928","","","","has coordinates,has disorder","192148","2020-10-21","18:00:00",""
"7119100","38.802","0.0011","5.04894","0.00013","10.781","0.0003","90","","94.337","0.002","90","","2106.05","0.1","150","","150","","","","","","","","synthesis","6","C 1 2 1","C 2y","5","","5","","- C21 H17 Br N4 O5 S -","- C21 H17 Br N4 O5 S -","- C84 H68 Br4 N16 O20 S4 -","4","1","","Knipe, Peter C.; Thompson, Sam; Hamilton, Andrew D.","Acid-mediated topological control in a functionalized foldamer","Chemical Communications (Cambridge, United Kingdom)","2016","52","39","6521","6524","10.1039/c6cc01496h","","","1.54184","CuKα","","0.0304","0.0303","","0.0792","0.079","0.0792","","","","","","0.9493","","","","has coordinates","211008","2020-10-21","18:00:00",""
"7119102","11.8267","0.0006","13.4665","0.0007","18.3608","0.0009","106.876","0.003","92.299","0.003","109.501","0.003","2607.2","0.2","372","2","372","2","","","","","","","","4","P -1","-P 1","2","monomer of PIM-C1","","","- C47 H82 O5 Si4 -","- C47 H82 O5 Si4 -","- C94 H164 O10 Si8 -","2","1","","Jian Zhang; Hong Kang; Jacob Martin; Shouhai Zhang; Sylvie Thomas; Tim C. Merkel; Jianyong Jin","The enhancement of chain rigidity and gas transport performance of polymers of intrinsic microporosity via intramolecular locking of the spiro-carbon","Chem.Commun.","2016","52","","6553","","","","","0.71073","MoKα","","0.0795","0.0522","","","0.1279","0.144","","","","","","1.052","","","","has coordinates","184192","2020-10-21","18:00:00",""
"7119103","6.67202","0.00007","12.80551","0.00014","18.3291","0.0002","90","","90","","90","","1566.01","0.03","223","0.1","223","0.1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C16 H28 O3 -","- C16 H28 O3 -","- C64 H112 O12 -","4","1","","Yajun Ren; Marc Presset; Jeremy Godemert; Nicolas Vanthuyne; Jean-Valere Naubron; Michel Giorgi; Jean Rodriguez; Yoann Coquerel","A switchable dual organocatalytic system and the enantioselective total synthesis of the quadrane sesquiterpene suberosanone","Chem.Commun.","2016","52","","6565","","","","x-ray","1.54184","CuKα","","0.0345","0.0338","","","0.0889","0.0899","","","","","","1.031","","","","has coordinates","184193","2020-10-21","18:00:00",""
"7119104","7.4733","0.0002","17.126","0.0006","9.9156","0.0003","90","","90","","90","","1269.08","0.07","296","2","296.15","","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C11 H12 Cl N O2 Pt S -","- C11 H12 Cl N O2 Pt S -","- C44 H48 Cl4 N4 O8 Pt4 S4 -","4","1","","Meng, Ting; Tang, Shang-Feng; Qin, Qi-Pin; Liang, Yue-Lan; Wu, Chen-Xuan; Wang, Chen-Yu; Yan, Hou-Tian; Dong, Jia-Xin; Liu, Yan-Cheng","Evaluation of the effect of iodine substitution of 8-hydroxyquinoline on its platinum(ii)complex: cytotoxicity, cell apoptosis and telomerase inhibition","Med. Chem. Commun.","2016","7","9","1802","","10.1039/C6MD00201C","","x-ray","0.71073","MoKα","","0.0681","0.0606","","","0.1408","0.1534","","","","","","1.076","","","","has coordinates","187155","2020-10-21","18:00:00",""
"7119105","12.2175","0.0004","11.5867","0.0004","45.0661","0.0013","90","","90","","90","","6379.6","0.4","293","2","296.15","","","","","","","","","8","P b c a","-P 2ac 2ab","61","","","","- C11 H10 Cl I2 N O2 Pt S -","- C11 H10 Cl I2 N O2 Pt S -","- C176 H160 Cl16 I32 N16 O32 Pt16 S16 -","16","2","","Meng, Ting; Tang, Shang-Feng; Qin, Qi-Pin; Liang, Yue-Lan; Wu, Chen-Xuan; Wang, Chen-Yu; Yan, Hou-Tian; Dong, Jia-Xin; Liu, Yan-Cheng","Evaluation of the effect of iodine substitution of 8-hydroxyquinoline on its platinum(ii)complex: cytotoxicity, cell apoptosis and telomerase inhibition","Med. Chem. Commun.","2016","7","9","1802","","10.1039/C6MD00201C","","x-ray","0.71073","MoKα","","0.0581","0.047","","","0.0934","0.0998","","","","","","1.061","","","","has coordinates","192220","2020-10-21","18:00:00",""
"7119106","13.3396","0.001","8.2529","0.0007","15.4875","0.0013","90","","94.937","0.008","90","","1698.7","0.2","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C21 H16 O S -","- C21 H16 O S -","- C84 H64 O4 S4 -","4","1","","Gill, Rupinder Kaur; Kaur, Ramandeep; Kumar, Virender; Gupta, Vivek; Singh, Gagandeep; Bariwal, Jitender","Design and microwave assisted synthesis of novel 2-phenyl/2-phenylethynyl-3-aroyl thiophenes as potent antiproliferative agents","Med. Chem. Commun.","2016","7","10","1966","","10.1039/C6MD00256K","","","0.71073","MoKα","","0.0971","0.0523","","","0.1212","0.1509","","","","","","0.985","","","","has coordinates","188254","2020-10-21","18:00:00",""
"7119107","13.987","0.002","16.528","0.003","20.406","0.004","90","","90.626","0.017","90","","4717.1","1.4","165","2","165","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","1-(5-tert-Butyl-2-methyl-2H-pyrazol-3-yl)-3-(4-chlorophenyl)urea","","- C15 H19 Cl N4 O -","- C15 H19 Cl N4 O -","- C180 H228 Cl12 N48 O12 -","12","3","","Nasiri, Amir H.; Saxena, Krishna; Bats, Jan W.; Nasiri, Hamid R.; Schwalbe, Harald","Biophysical investigation and conformational analysis of p38α kinase inhibitor doramapimod and its analogues","Med. Chem. Commun.","2016","7","7","1421","","10.1039/C6MD00262E","","","0.71073","MoKα","","0.1184","0.0513","","","0.1054","0.1283","","","","","","1.019","","","","has coordinates","185074","2020-10-21","18:00:00",""
"7119108","13.2894","0.0015","16.911","0.003","9.2595","0.0012","90","","97.917","0.009","90","","2061.1","0.5","161","2","161","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","1-(5-tert-Butyl-2-methyl-2H-pyrazol-3-yl)-3-(4-chlorophenyl)urea","","- C21 H25 Cl N4 O2 -","- C21 H25 Cl N4 O2 -","- C84 H100 Cl4 N16 O8 -","4","1","","Nasiri, Amir H.; Saxena, Krishna; Bats, Jan W.; Nasiri, Hamid R.; Schwalbe, Harald","Biophysical investigation and conformational analysis of p38α kinase inhibitor doramapimod and its analogues","Med. Chem. Commun.","2016","7","7","1421","","10.1039/C6MD00262E","","","0.71073","MoKα","","0.0703","0.042","","","0.0908","0.1027","","","","","","1.028","","","","has coordinates","185074","2020-10-21","18:00:00",""
"7119109","10.217","0.003","15.177","0.004","16.06","0.004","72.646","0.009","85.659","0.014","88.367","0.01","2370.1","1.1","163","2","163","2","","","","","","","","6","P -1","-P 1","2","","1-(5-tert-Butyl-2-methyl-2H-pyrazol-3-yl)-3-(4-chlorophenyl)urea","","- C22 H27 Cl N4 O2 S -","- C22 H27 Cl N4 O2 S -","- C88 H108 Cl4 N16 O8 S4 -","4","2","","Nasiri, Amir H.; Saxena, Krishna; Bats, Jan W.; Nasiri, Hamid R.; Schwalbe, Harald","Biophysical investigation and conformational analysis of p38α kinase inhibitor doramapimod and its analogues","Med. Chem. Commun.","2016","7","7","1421","","10.1039/C6MD00262E","","","0.71073","MoKα","","0.2539","0.0737","","","0.143","0.1855","","","","","","0.903","","","","has coordinates","185074","2020-10-21","18:00:00",""
"7119110","9.5365","0.0019","10.4435","0.0013","13.1768","0.0016","85.347","0.009","84.622","0.01","68.226","0.017","1211.8","0.4","164","2","164","2","","","","","","","","6","P -1","-P 1","2","","1-(5-tert-Butyl-2-methyl-2H-pyrazol-3-yl)-3-(4-chlorophenyl)urea","","- C23 H29 Cl N4 O2 S -","- C23 H29 Cl N4 O2 S -","- C46 H58 Cl2 N8 O4 S2 -","2","1","","Nasiri, Amir H.; Saxena, Krishna; Bats, Jan W.; Nasiri, Hamid R.; Schwalbe, Harald","Biophysical investigation and conformational analysis of p38α kinase inhibitor doramapimod and its analogues","Med. Chem. Commun.","2016","7","7","1421","","10.1039/C6MD00262E","","","0.71073","MoKα","","0.0531","0.0376","","","0.0947","0.102","","","","","","1.069","","","","has coordinates","185074","2020-10-21","18:00:00",""
"7119111","10.2698","0.0016","14.906","0.002","16.249","0.002","90","","96.954","0.009","90","","2469.1","0.6","163","2","163","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","1-(5-tert-Butyl-2-methyl-2H-pyrazol-3-yl)-3-(4-chlorophenyl)urea","","- C23 H31 Cl N4 O3 -","- C23 H31 Cl N4 O3 -","- C92 H124 Cl4 N16 O12 -","4","1","","Nasiri, Amir H.; Saxena, Krishna; Bats, Jan W.; Nasiri, Hamid R.; Schwalbe, Harald","Biophysical investigation and conformational analysis of p38α kinase inhibitor doramapimod and its analogues","Med. Chem. Commun.","2016","7","7","1421","","10.1039/C6MD00262E","","","0.71073","MoKα","","0.081","0.0526","","","0.1138","0.1308","","","","","","1.09","","","","has coordinates","185074","2020-10-21","18:00:00",""
"7119112","17.753","0.003","16.394","0.004","9.6378","0.0011","90","","120.355","0.007","90","","2420.5","0.8","158","2","158","2","","","","","","","","6","C 1 c 1","C -2yc","9","","1-(5-tert-Butyl-2-methyl-2H-pyrazol-3-yl)-3-(4-chlorophenyl)urea","","- C23 H29 Cl N4 O2 S -","- C23 H29 Cl N4 O2 S -","- C92 H116 Cl4 N16 O8 S4 -","4","1","","Nasiri, Amir H.; Saxena, Krishna; Bats, Jan W.; Nasiri, Hamid R.; Schwalbe, Harald","Biophysical investigation and conformational analysis of p38α kinase inhibitor doramapimod and its analogues","Med. Chem. Commun.","2016","7","7","1421","","10.1039/C6MD00262E","","","0.71073","MoKα","","0.0761","0.0506","","","0.1046","0.1166","","","","","","1.101","","","","has coordinates","185074","2020-10-21","18:00:00",""
"7119113","5.4909","0.0003","15.4713","0.0009","26.0024","0.0015","90","","90","","90","","2208.9","0.2","176","2","176","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","1-(5-tert-Butyl-2-methyl-2H-pyrazol-3-yl)-3-(4-chlorophenyl)urea","","- C21 H26 Cl2 N4 O2 -","- C21 H26 Cl2 N4 O2 -","- C84 H104 Cl8 N16 O8 -","4","1","","Nasiri, Amir H.; Saxena, Krishna; Bats, Jan W.; Nasiri, Hamid R.; Schwalbe, Harald","Biophysical investigation and conformational analysis of p38α kinase inhibitor doramapimod and its analogues","Med. Chem. Commun.","2016","7","7","1421","","10.1039/C6MD00262E","","","0.71073","MoKα","","0.0612","0.0467","","","0.0793","0.0832","","","","","","1.078","","","","has coordinates","185074","2020-10-21","18:00:00",""
"7119114","9.3925","0.0008","9.5682","0.0009","10.9216","0.001","73.528","0.008","66.26","0.009","85.458","0.007","860.9","0.15","289","2","289","2","","","","","","","","6","P -1","-P 1","2","","","","- C17 H16 F3 N O4 S -","- C17 H16 F3 N O4 S -","- C34 H32 F6 N2 O8 S2 -","2","1","","Zhi-Wei Yang; Qi Zhang; Yuan-Ye Jiang; Lei Li; Bin Xiao; Yao Fu","Palladium-catalyzed directing group-assisted C8-triflation of naphthalenes","Chem.Commun.","2016","52","","6709","","","","","0.71073","MoKα","","0.0819","0.0562","","","0.1306","0.1518","","","","","","1.036","","","","has coordinates","185751","2020-10-21","18:00:00",""
"7119115","10.7989","0.0009","23.324","0.002","18.592","0.0016","90","","106.381","0.007","90","","4492.7","0.7","150","","150","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C45 H68 O3 S Sm2 -","- C45 H68 O3 S Sm2 -","- C180 H272 O12 S4 Sm8 -","4","1","","Christoph Schoo; Svetlana V. Klementyeva; Michael T. Gamer; Sergey N. Konchenko; Peter W. Roesky","Samarocene oxide: from an undesired decomposition product to a new reagent","Chem.Commun.","2016","52","","6654","","","","","0.71073","MoKα","","0.0707","0.0528","","","0.1436","0.1579","","","","","","1.041","","","","has coordinates,has disorder","185752","2020-10-21","18:00:00",""
"7119116","18.588","0.004","23.602","0.005","21.654","0.004","90","","107.26","0.03","90","","9072","4","195","2","195.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C45 H68 O2 S2 Sm2 -","- C45 H68 O2 S2 Sm2 -","- C360 H544 O16 S16 Sm16 -","8","2","","Christoph Schoo; Svetlana V. Klementyeva; Michael T. Gamer; Sergey N. Konchenko; Peter W. Roesky","Samarocene oxide: from an undesired decomposition product to a new reagent","Chem.Commun.","2016","52","","6654","","","","","0.71073","MoKα","","0.1015","0.0334","","","0.0573","0.0639","","","","","","0.704","","","","has coordinates,has disorder","185752","2020-10-21","18:00:00",""
"7119117","17.824","0.004","16.299","0.003","16.056","0.003","90","","108.56","0.03","90","","4421.9","1.7","195","","195","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C44 H68 O4 S Sm2 -","- C44 H68 O4 S Sm2 -","- C176 H272 O16 S4 Sm8 -","4","1","","Christoph Schoo; Svetlana V. Klementyeva; Michael T. Gamer; Sergey N. Konchenko; Peter W. Roesky","Samarocene oxide: from an undesired decomposition product to a new reagent","Chem.Commun.","2016","52","","6654","","","","","0.71073","MoKα","","0.1092","0.0471","","","0.0809","0.0914","","","","","","0.731","","","","has coordinates,has disorder","185752","2020-10-21","18:00:00",""
"7119118","16.952","0.003","13.879","0.003","20.819","0.004","90","","90.81","0.03","90","","4897.7","1.7","210","2","210","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C50 H70 N2 O4 S Sm2 -","- C50 H70 N2 O4 S Sm2 -","- C200 H280 N8 O16 S4 Sm8 -","4","1","","Christoph Schoo; Svetlana V. Klementyeva; Michael T. Gamer; Sergey N. Konchenko; Peter W. Roesky","Samarocene oxide: from an undesired decomposition product to a new reagent","Chem.Commun.","2016","52","","6654","","","","","0.71073","MoKα","","0.0989","0.0472","","","0.0745","0.0823","","","","","","0.84","","","","has coordinates","185752","2020-10-21","18:00:00",""
"7119119","10.561","0.002","10.7","0.002","15.035","0.003","110.25","0.03","97.77","0.03","98.73","0.03","1542.9","0.7","200","2","200","","","","","","","","","4","P -1","-P 1","2","","","","- C68 H86 O4 Sm2 -","- C68 H86 O4 Sm2 -","- C68 H86 O4 Sm2 -","1","0.5","","Christoph Schoo; Svetlana V. Klementyeva; Michael T. Gamer; Sergey N. Konchenko; Peter W. Roesky","Samarocene oxide: from an undesired decomposition product to a new reagent","Chem.Commun.","2016","52","","6654","","","","","0.71073","MoKα","","0.0411","0.0325","","","0.0793","0.0812","","","","","","0.985","","","","has coordinates,has disorder","185752","2020-10-21","18:00:00",""
"7119120","16.207","0.003","14","0.003","21.465","0.004","90","","90","","90","","4870.4","1.7","210","2","205","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C44 H66 N2 O8 Re2 Sm2 -","- C44 H66 N2 O8 Re2 Sm2 -","- C176 H264 N8 O32 Re8 Sm8 -","4","0.5","","Christoph Schoo; Svetlana V. Klementyeva; Michael T. Gamer; Sergey N. Konchenko; Peter W. Roesky","Samarocene oxide: from an undesired decomposition product to a new reagent","Chem.Commun.","2016","52","","6654","","","","","0.71073","MoKα","","0.0436","0.0265","","","0.0481","0.0509","","","","","","0.927","","","","has coordinates","185752","2020-10-21","18:00:00",""
"7119121","9.7747","0.0005","11.2285","0.0005","12.079","0.0006","86.4386","0.0015","70.8147","0.0014","85.0255","0.0014","1246.59","0.11","150","2","150","2","","","","","","","","4","P -1","-P 1","2","Pentaphenyl-1,2-oxaborine","","","- C34 H25 B O -","- C34 H25 B O -","- C68 H50 B2 O2 -","2","1","","Sam Yruegas; Dayna C. Patterson; Caleb D. Martin","Oxygen insertion into boroles as a route to 1,2-oxaborines","Chem.Commun.","2016","52","","6658","","","","","0.71073","MoKα","","0.0846","0.047","","","0.1039","0.119","","","","","","1.014","","","","has coordinates","185753","2020-10-21","18:00:00",""
"7119122","10.5923","0.0005","11.7946","0.0007","12.5909","0.0007","91.8608","0.0017","94.7506","0.0015","113.478","0.0015","1434.13","0.14","150","2","150","2","","","","","","","","4","P -1","-P 1","2","Biphenyl-1,2-oxaborine","","","- C40 H29 B O -","- C40 H29 B O -","- C80 H58 B2 O2 -","2","1","","Sam Yruegas; Dayna C. Patterson; Caleb D. Martin","Oxygen insertion into boroles as a route to 1,2-oxaborines","Chem.Commun.","2016","52","","6658","","","","","0.71073","MoKα","","0.0679","0.0434","","","0.1101","0.1281","","","","","","1.064","","","","has coordinates","185753","2020-10-21","18:00:00",""
"7119123","9.5347","0.0005","10.4694","0.0006","15.6057","0.0009","92.938","0.005","107.085","0.005","116.622","0.006","1300.34","0.16","120","","120","","","","","","","","","6","P -1","-P 1","2","Furosemide","","","- C12 H11 Cl N2 O5 S -","- C12 H11 Cl N2 O5 S -","- C48 H44 Cl4 N8 O20 S4 -","4","2","","Cory M. Widdifield; Harry Robson; Paul Hodgkinson","Furosemide's one little hydrogen atom: NMR crystallography structure verification of powdered molecular organics","Chem.Commun.","2016","52","","6685","","","","x-ray","0.71073","MoKα","","0.1193","0.0561","","","0.0935","0.1209","","","","","","0.994","","","","has coordinates","185754","2020-10-21","18:00:00",""
"7119124","15.6295","0.0014","11.7772","0.001","23.646","0.002","90","","100.375","0.001","90","","4281.4","0.6","90","","90","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","naphthalene bridged phenoxyl-imidazolyl radical complex","","- C31 H20 N2 O -","- C31 H20 N2 O -","- C248 H160 N16 O8 -","8","2","","Katsuya Mutoh; Yoichi Kobayashi; Yasukazu Hirao; Takashi Kubo; Jiro Abe","Stealth fast photoswitching of negative photochromic naphthalene-bridged phenoxyl-imidazolyl radical complexes","Chem.Commun.","2016","52","","6797","","","","","0.71073","MoKα","","0.0475","0.0369","","","0.0874","0.0932","","","","","","0.989","","","","has coordinates","185772","2020-10-21","18:00:00",""
"7119125","10.417","0.003","7.846","0.003","15.614","0.005","90","","109.024","0.004","90","","1206.5","0.7","90","","90","","","","","","","","","4","P 1 21 1","P 2yb","4","","naphthalene bridged naphthoxyl-imidazolyl radical complex","","- C35 H22 N2 O -","- C35 H22 N2 O -","- C70 H44 N4 O2 -","2","1","","Katsuya Mutoh; Yoichi Kobayashi; Yasukazu Hirao; Takashi Kubo; Jiro Abe","Stealth fast photoswitching of negative photochromic naphthalene-bridged phenoxyl-imidazolyl radical complexes","Chem.Commun.","2016","52","","6797","","","","","0.71073","MoKα","","0.0371","0.0323","","","0.0705","0.0728","","","","","","1.029","","","","has coordinates","185772","2020-10-21","18:00:00",""
"7119126","10.4123","0.0013","10.6141","0.0013","22.372","0.003","90","","101.14","0.0017","90","","2425.9","0.5","90","","90","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","by-product 1","","- C31 H20 N2 O3 -","- C31 H20 N2 O3 -","- C124 H80 N8 O12 -","4","1","","Katsuya Mutoh; Yoichi Kobayashi; Yasukazu Hirao; Takashi Kubo; Jiro Abe","Stealth fast photoswitching of negative photochromic naphthalene-bridged phenoxyl-imidazolyl radical complexes","Chem.Commun.","2016","52","","6797","","","","","0.71073","MoKα","","0.0454","0.0341","","","0.0748","0.08","","","","","","0.997","","","","has coordinates","185772","2020-10-21","18:00:00",""
"7119127","15.6018","0.0016","11.8059","0.0012","23.666","0.002","90","","100.492","0.0012","90","","4286.2","0.7","90","","90","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","by-product 2","","- C31 H19.46 Cl0.08 N2 O -","- C31 H19.4583 Cl0.0835 N2 O -","- C248 H155.666 Cl0.668 N16 O8 -","8","2","","Katsuya Mutoh; Yoichi Kobayashi; Yasukazu Hirao; Takashi Kubo; Jiro Abe","Stealth fast photoswitching of negative photochromic naphthalene-bridged phenoxyl-imidazolyl radical complexes","Chem.Commun.","2016","52","","6797","","","","","0.71073","MoKα","","0.0577","0.0415","","","0.101","0.1098","","","","","","1.068","","","","has coordinates,has disorder","185772","2020-10-21","18:00:00",""
"7119128","10.284","0.0003","26.1213","0.0007","15.8601","0.0004","90","","102.69","0.001","90","","4156.4","0.2","170","2","170","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","N-benzyl-4-methyl-N-(4-methyl-1-oxo-1H-isochromen-3-yl)benzenesulfonamide","","- C24 H21 N O4 S -","- C24 H21 N O4 S -","- C192 H168 N8 O32 S8 -","8","2","","Hongxu Liu; Yanyan Yang; Jie Wu; Xiao-Na Wang; Junbiao Chang","Regioselective synthesis of 3,4-disubstituted isocoumarins through the Pd-catalyzed annulation of 2-iodoaromatic acids with ynamides","Chem.Commun.","2016","52","","6801","","","","","1.54178","CuKα","","0.0406","0.0345","","","0.0887","0.0924","","","","","","1.032","","","","has coordinates","192220","2020-10-21","18:00:00",""
"7119129","12.2963","0.0004","13.8393","0.0004","16.8203","0.0004","71.704","0.001","82.18","0.001","66.12","0.001","2484.87","0.13","273","2","273","2","","","","","","","","5","P -1","-P 1","2","","N-benzyl-4-methyl-N-(1-oxo-4-(p-tolyl)-1H-isochromen-3-yl)benzenesulfonamide","","- C30 H25 N O4 S -","- C30 H25 N O4 S -","- C120 H100 N4 O16 S4 -","4","2","","Hongxu Liu; Yanyan Yang; Jie Wu; Xiao-Na Wang; Junbiao Chang","Regioselective synthesis of 3,4-disubstituted isocoumarins through the Pd-catalyzed annulation of 2-iodoaromatic acids with ynamides","Chem.Commun.","2016","52","","6801","","","","","0.71073","MoKα","","0.0847","0.055","","","0.1404","0.1665","","","","","","1.068","","","","has coordinates","192220","2020-10-21","18:00:00",""
"7119130","9.8924","0.0002","19.0871","0.0005","19.8273","0.0004","90","","100.618","0.001","90","","3679.63","0.14","200","1","200","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C40 H32 Cl4 P2 Pd -","- C40 H32 Cl4 P2 Pd -","- C160 H128 Cl16 P8 Pd4 -","4","1","","Avassaya Vanitcha; Cecilia Damelincourt; Geoffrey Gontard; Nicolas Vanthuyne; Virginie Mouries-Mansuy; Louis Fensterbank","Bis-phosphine allene ligand: coordination chemistry and preliminary applications in catalysis","Chem.Commun.","2016","52","","6785","","","","","1.54178","CuKα","","0.0271","0.0263","","","0.0682","0.0688","","","","","","1.032","","","","has coordinates","185774","2020-10-21","18:00:00",""
"7119131","9.9582","0.0003","21.3845","0.0007","10.1108","0.0003","90","","103.135","0.002","90","","2096.78","0.11","200","1","200","1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C41 H32 Cl8 P2 Pt -","- C41 H32 Cl8 P2 Pt -","- C82 H64 Cl16 P4 Pt2 -","2","1","","Avassaya Vanitcha; Cecilia Damelincourt; Geoffrey Gontard; Nicolas Vanthuyne; Virginie Mouries-Mansuy; Louis Fensterbank","Bis-phosphine allene ligand: coordination chemistry and preliminary applications in catalysis","Chem.Commun.","2016","52","","6785","","","","","1.54178","CuKα","","0.0184","0.0183","","","0.0464","0.0466","","","","","","1.032","","","","has coordinates","185774","2020-10-21","18:00:00",""
"7119132","12.7889","0.0005","16.392","0.0006","19.0982","0.0007","93.515","0.003","96.512","0.003","112.335","0.003","3655.6","0.3","200","1","200","1","","","","","","","","6","P -1","-P 1","2","","","","- C82 H68 Au2 Cl4 O P4 -","- C82 H68 Au2 Cl4 O P4 -","- C164 H136 Au4 Cl8 O2 P8 -","2","1","","Avassaya Vanitcha; Cecilia Damelincourt; Geoffrey Gontard; Nicolas Vanthuyne; Virginie Mouries-Mansuy; Louis Fensterbank","Bis-phosphine allene ligand: coordination chemistry and preliminary applications in catalysis","Chem.Commun.","2016","52","","6785","","","","","1.54178","CuKα","","0.0818","0.0603","","","0.1429","0.161","","","","","","1.132","","","","has coordinates,has disorder","185774","2020-10-21","18:00:00",""
"7119133","12.6409","0.0003","16.973","0.0004","18.0808","0.0005","90","","104.661","0.001","90","","3753","0.16","200","1","200","1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C40 H32 Au2 Cl4 P2 -","- C40 H32 Au2 Cl4 P2 -","- C160 H128 Au8 Cl16 P8 -","4","1","","Avassaya Vanitcha; Cecilia Damelincourt; Geoffrey Gontard; Nicolas Vanthuyne; Virginie Mouries-Mansuy; Louis Fensterbank","Bis-phosphine allene ligand: coordination chemistry and preliminary applications in catalysis","Chem.Commun.","2016","52","","6785","","","","","0.71073","MoKα","","0.0248","0.0191","","","0.0439","0.0462","","","","","","1.083","","","","has coordinates","185774","2020-10-21","18:00:00",""
"7119134","34.8","0.002","9.8414","0.0006","10.8355","0.0007","90","","96.507","0.003","90","","3687","0.4","200","1","200","1","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C39.5 H31 Au2 Cl3 P2 -","- C39.5 H30.9999 Au2 Cl3.00005 P2 -","- C158 H124 Au8 Cl12.0002 P8 -","4","1","","Avassaya Vanitcha; Cecilia Damelincourt; Geoffrey Gontard; Nicolas Vanthuyne; Virginie Mouries-Mansuy; Louis Fensterbank","Bis-phosphine allene ligand: coordination chemistry and preliminary applications in catalysis","Chem.Commun.","2016","52","","6785","","","","","1.54178","CuKα","","0.0184","0.0179","","","0.0445","0.0447","","","","","","1.032","","","","has coordinates","185774","2020-10-21","18:00:00",""
"7119135","34.8079","0.0011","9.8397","0.0003","10.8227","0.0004","90","","96.441","0.002","90","","3683.4","0.2","200","1","200","1","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C39.5 H31 Au2 Cl3 P2 -","- C39.5 H30.9999 Au2 Cl3.00005 P2 -","- C158 H124 Au8 Cl12.0002 P8 -","4","1","","Avassaya Vanitcha; Cecilia Damelincourt; Geoffrey Gontard; Nicolas Vanthuyne; Virginie Mouries-Mansuy; Louis Fensterbank","Bis-phosphine allene ligand: coordination chemistry and preliminary applications in catalysis","Chem.Commun.","2016","52","","6785","","","","","1.54178","CuKα","","0.0142","0.0141","","","0.0359","0.0359","","","","","","1.069","","","","has coordinates","185774","2020-10-21","18:00:00",""
"7119136","8.7871","0.001","9.5833","0.0011","13.1959","0.0013","104.353","0.004","93.696","0.004","116.282","0.004","945.63","0.19","100","2","100","2","","","","","","","synthesis as described","5","P -1","-P 1","2","","","","- C38 H62 Li4 N2 O4 -","- C38 H62 Li4 N2 O4 -","- C38 H62 Li4 N2 O4 -","1","0.5","","Quentin Dufrois; Laure Vendier; Michel Etienne","alpha-CC agostic structures and aggregation diversity in cyclopropyllithium derivatives","Chem.Commun.","2016","52","","6781","","","","","0.71073","MoKα","","0.0491","0.0415","","","0.1044","0.1101","","","","","","1.028","","","","has coordinates","185775","2020-10-21","18:00:00",""
"7119137","8.5802","0.0005","9.438","0.0005","20.2265","0.0011","80.998","0.002","82.494","0.002","70.198","0.002","1516.79","0.15","100","2","100","2","","","","","","","synthesis as described","4","P -1","-P 1","2","","","","- C33 H49 Li2 O3 -","- C33 H49 Li2 O3 -","- C66 H98 Li4 O6 -","2","1","","Quentin Dufrois; Laure Vendier; Michel Etienne","alpha-CC agostic structures and aggregation diversity in cyclopropyllithium derivatives","Chem.Commun.","2016","52","","6781","","","","","0.71073","MoKα","","0.0731","0.0548","","","0.134","0.1433","","","","","","1.04","","","","has coordinates,has disorder","185775","2020-10-21","18:00:00",""
"7119138","17.8505","0.0005","8.3333","0.0002","13.1813","0.0003","90","","104.671","0.001","90","","1896.84","0.08","93","2","93","2","","","","","","","","6","P 1 2/c 1","-P 2yc","13","3PyMeBF3Ph_open","Open-ring isomer of a diarylethene","","- C39 H32 B2 F12 N2 S2 -","- C39 H32 B2 F12 N2 S2 -","- C78 H64 B4 F24 N4 S4 -","2","0.5","","Kazuki Takase; Kengo Hyodo; Masakazu Morimoto; Yuko Kojima; Hiroyuki Mayama; Satoshi Yokojima; Shinichiro Nakamura; Kingo Uchida","Photoinduced reversible formation of a superhydrophilic surface by crystal growth of diarylethene","Chem.Commun.","2016","52","","6885","","","","","1.54178","","","0.0815","0.0799","","","0.2034","0.2049","","","","","","1.064","","","","has coordinates,has disorder","185776","2020-10-21","18:00:00",""
"7119139","9.7143","0.0002","32.9243","0.0007","11.9342","0.0003","90","","96.4166","0.001","90","","3793.08","0.15","93","2","93","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","3PyMeBF3Ph_closed","The closed-ring isomer of a diarylethene","","- C39 H34 B2 F12 N2 O S2 -","- C39 H34 B2 F12 N2 O S2 -","- C156 H136 B8 F48 N8 O4 S8 -","4","1","","Kazuki Takase; Kengo Hyodo; Masakazu Morimoto; Yuko Kojima; Hiroyuki Mayama; Satoshi Yokojima; Shinichiro Nakamura; Kingo Uchida","Photoinduced reversible formation of a superhydrophilic surface by crystal growth of diarylethene","Chem.Commun.","2016","52","","6885","","","","","1.54178","","","0.0349","0.0338","","","0.0891","0.09","","","","","","1.069","","","","has coordinates,has disorder","185776","2020-10-21","18:00:00",""
"7119140","8.6053","0.001","11.6403","0.0014","17.468","0.002","90","","90","","90","","1749.7","0.4","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C20 H23 N O3 -","- C20 H23 N O3 -","- C80 H92 N4 O12 -","4","1","","Yuan-Ming Sun; Peng Gu; Yu-Ning Gao; Qin Xu; Min Shi","Gold(I) catalyzed tandem cyclization of propargylic esters to 4-acyloxy-1,2-dihydroquinolines","Chem.Commun.","2016","52","","6942","","","","","0.71073","MoKα","","0.0418","0.0385","","","0.1014","0.1043","","","","","","1.01","","","","has coordinates","185777","2020-10-21","18:00:00",""
"7119141","7.0929","0.0002","15.6774","0.0004","20.8647","0.0005","90","","90","","90","","2320.12","0.1","100","2","100","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C21 H29 F6 Ir N O P -","- C21 H29 F6 Ir N O P -","- C84 H116 F24 Ir4 N4 O4 P4 -","4","1","","Ross A. Arthurs; Peter N. Horton; Simon J. Coles; Christopher J. Richards","Metallocene to metallocene conversion. Synthesis of an oxazoline-substituted pentamethyliridocenium cation from a ferrocenyloxazoline","Chem.Commun.","2016","52","","7024","","","","","0.71073","MoKα","","0.0333","0.0281","","","0.059","0.0606","","","","","","1.03","","","","has coordinates,has disorder","185778","2020-10-21","18:00:00",""
"7119142","4.375","0.0002","20.1126","0.0013","13.1678","0.0008","90","","98.317","0.006","90","","1146.48","0.12","141","50","141","50","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1f","","- C14 H8 F2 N4 -","- C14 H8 F2 N4 -","- C56 H32 F8 N16 -","4","1","","Erchang Shang; Junzhi Zhang; Jinyi Bai; Zhan Wang; Xiang Li; Bing Zhu; Xiaoguang Lei","Syntheses of [1,2,4]triazolo[1,5-a]benzazoles enabled by the transition-metal-free oxidative N-N bond formation","Chem.Commun.","2016","52","","7028","","","","","0.71073","MoKα","","0.0708","0.046","","","0.1037","0.1153","","","","","","1.046","","","","has coordinates","185779","2020-10-21","18:00:00",""
"7119143","21.401","0.002","4.7059","0.0005","10.6453","0.001","90","","90","","90","","1072.1","0.18","179.99","0.1","179.99","0.1","","","","","","","","4","P c a 21","P 2c -2ac","29","","4i","","- C14 H9 N3 O -","- C14 H9 N3 O -","- C56 H36 N12 O4 -","4","1","","Erchang Shang; Junzhi Zhang; Jinyi Bai; Zhan Wang; Xiang Li; Bing Zhu; Xiaoguang Lei","Syntheses of [1,2,4]triazolo[1,5-a]benzazoles enabled by the transition-metal-free oxidative N-N bond formation","Chem.Commun.","2016","52","","7028","","","","","0.71073","MoKα","","0.0505","0.0424","","","0.1037","0.1112","","","","","","1.126","","","","has coordinates","185779","2020-10-21","18:00:00",""
"7119144","5.9753","0.0006","15.9285","0.0017","13.447","0.0013","90","","90.062","0.011","90","","1279.9","0.2","180","0.1","180","0.1","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","4a","","- C16 H14 N4 -","- C16 H14 N4 -","- C64 H56 N16 -","4","1","","Erchang Shang; Junzhi Zhang; Jinyi Bai; Zhan Wang; Xiang Li; Bing Zhu; Xiaoguang Lei","Syntheses of [1,2,4]triazolo[1,5-a]benzazoles enabled by the transition-metal-free oxidative N-N bond formation","Chem.Commun.","2016","52","","7028","","","","","0.71073","MoKα","","0.0848","0.0502","","","0.11","0.1324","","","","","","1.085","","","","has coordinates","185779","2020-10-21","18:00:00",""
"7119145","10.9506","0.0003","19.9969","0.0006","17.6775","0.0006","90","","96.054","0.001","90","","3849.4","0.2","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","ALMX57","","","- C38 H42 F10 P2 Pt Zn -","- C38 H42 F10 P2 Pt Zn -","- C152 H168 F40 P8 Pt4 Zn4 -","4","1","","Allegra L. Liberman-Martin; Daniel S. Levine; Micah S. Ziegler; Robert G. Bergman; T. Don Tilley","Lewis acid-base interactions between platinum(II) diaryl complexes and bis(perfluorophenyl)zinc: strongly accelerated reductive elimination induced by a Z-type ligand","Chem.Commun.","2016","52","","7039","","","","","0.71073","MoKα","","0.0315","0.0252","","","0.056","0.0622","","","","","","1.206","","","","has coordinates,has disorder","185780","2020-10-21","18:00:00",""
"7119146","12.995","0.0013","16.7483","0.0016","21.185","0.002","90","","106.136","0.002","90","","4429.1","0.7","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","ALMX88","","","- C51 H42 F10 N2 Pt Zn -","- C51 H42 F10 N2 Pt Zn -","- C204 H168 F40 N8 Pt4 Zn4 -","4","1","","Allegra L. Liberman-Martin; Daniel S. Levine; Micah S. Ziegler; Robert G. Bergman; T. Don Tilley","Lewis acid-base interactions between platinum(II) diaryl complexes and bis(perfluorophenyl)zinc: strongly accelerated reductive elimination induced by a Z-type ligand","Chem.Commun.","2016","52","","7039","","","","","0.71073","MoKα","","0.0355","0.0312","","","0.0722","0.0747","","","","","","1.156","","","","has coordinates","185780","2020-10-21","18:00:00",""
"7119147","14.436","0.008","9.801","0.003","28.668","0.011","90","","100.42","0.03","90","","3989","3","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C56 H40 B -","- C56 H40 B -","- C224 H160 B4 -","4","1","","Holger Braunschweig; Ivo Krummenacher; Lisa Mailander; Leanne Pentecost; Alfredo Vargas","Formation of a stable radical by oxidation of a tetraorganoborate","Chem.Commun.","2016","52","","7005","","","","","0.71073","MoKα","","0.1292","0.0902","","","0.1885","0.2068","","","","","","1.144","","","","has coordinates","185781","2020-10-21","18:00:00",""
"7119148","6.6058","0.0001","24.886","0.0004","14.6272","0.0003","90","","102.224","0.007","90","","2350.08","0.09","90","2","90","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C40.17 H62.43 Na2 O28 -","- C40.168 H62.42 Na2 O28 -","- C80.336 H124.84 Na4 O56 -","2","1","","Guo-Hong Ning; Kazuki Matsumura; Yasuhide Inokuma; Makoto Fujita","A saccharide-based crystalline sponge for hydrophilic guests","Chem.Commun.","2016","52","","7013","","","","","1.54187","CuKα","","0.053","0.0506","","","0.1387","0.1456","","","","","","1.053","","","","has coordinates,has disorder","185782","2020-10-21","18:00:00",""
"7119149","6.6503","0.0015","24.44","0.006","14.717","0.003","90","","101.39","0.002","90","","2344.9","0.9","93","2","93","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C21 H34 Na O13.5 -","- C21 H34 Na O13.5 -","- C84 H136 Na4 O54 -","4","2","","Guo-Hong Ning; Kazuki Matsumura; Yasuhide Inokuma; Makoto Fujita","A saccharide-based crystalline sponge for hydrophilic guests","Chem.Commun.","2016","52","","7013","","","","","0.71073","MoKα","","0.0479","0.0387","","","0.087","0.0912","","","","","","1.022","","","","has coordinates","287753","2023-11-23","09:34:44",""
"7119150","6.6481","0.0005","24.625","0.002","14.756","0.0012","90","","102.798","0.0009","90","","2355.7","0.3","93","2","93","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C20.45 H30.90 Na O14.46 -","- C20.454 H30.908 Na O14.461 -","- C81.816 H123.632 Na4 O57.844 -","4","2","","Guo-Hong Ning; Kazuki Matsumura; Yasuhide Inokuma; Makoto Fujita","A saccharide-based crystalline sponge for hydrophilic guests","Chem.Commun.","2016","52","","7013","","","","","0.71073","MoKα","","0.0454","0.0436","","","0.1149","0.116","","","","","","1.096","","","","has coordinates,has disorder","287753","2023-11-23","09:34:45",""
"7119151","6.6239","0.0005","24.772","0.0017","14.6783","0.001","90","","102.43","0.0015","90","","2352.1","0.3","93","2","93","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C20.29 H30.59 Na O14 -","- C20.2965 H30.593 Na O14 -","- C81.186 H122.372 Na4 O56 -","4","2","","Guo-Hong Ning; Kazuki Matsumura; Yasuhide Inokuma; Makoto Fujita","A saccharide-based crystalline sponge for hydrophilic guests","Chem.Commun.","2016","52","","7013","","","","","0.71073","MoKα","","0.0674","0.0645","","","0.1633","0.1648","","","","","","1.17","","","","has coordinates,has disorder","287753","2023-11-23","09:34:45",""
"7119152","7.195","0.007","7.195","0.007","4.118","0.004","90","","90","","90","","213.2","0.4","240","2","240","2","","","","","","","","3","P 42/m n m","-P 4n 2n","136","α-Diemthylcadmium","α-Diemthylcadmium","","- C2 H6 Cd -","- C2 H6 Cd -","- C4 H12 Cd2 -","2","0.125","","Hanke, Felix; Hindley, Sarah; Jones, Anthony C.; Steiner, Alexander","The solid state structures of the high and low temperature phases of dimethylcadmium","Chemical Communications","2016","52","66","10144","","10.1039/C6CC05851E","","","0.71073","MoKα","","0.0392","0.0257","","","0.0614","0.0702","","","","","","0.985","","","","has coordinates","185827","2020-10-21","18:00:00",""
"7119153","7.483","0.011","7.711","0.011","7.734","0.011","90","","115.85","0.03","90","","401.6","1","150","2","150","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","Dimethylcadmium","Dimethylcadmium","","- C2 H6 Cd -","- C2 H6 Cd -","- C8 H24 Cd4 -","4","1","","Hanke, Felix; Hindley, Sarah; Jones, Anthony C.; Steiner, Alexander","The solid state structures of the high and low temperature phases of dimethylcadmium","Chemical Communications","2016","52","66","10144","","10.1039/C6CC05851E","","","0.71073","MoKα","","0.0866","0.0721","","","0.1884","0.1986","","","","","","1.07","","","","has coordinates","185828","2020-10-21","18:00:00",""
"7119154","25.7542","0.0003","25.7542","0.0003","6.755","0.0003","90","","90","","120","","3880.18","0.18","200","","200","","","","","","","","","5","R -3 :H","-R 3","148","","","","- C4 H Ne0.46 Ni O3 -","- C4 H Ne0.4605 Ni O3 -","- C72 H18 Ne8.289 Ni18 O54 -","18","1","","Wood, Peter A.; Sarjeant, Amy A.; Yakovenko, Andrey A.; Ward, Suzanna C.; Groom, Colin R.","Capturing neon – the first experimental structure of neon trapped within a metal-organic environment","Chemical Communications (Cambridge, United Kingdom)","2016","52","65","10048","10051","10.1039/c6cc04808k","powder diffraction","x-ray","0.72768","synchrotron","","0.028","0.028","","0.0412","0.0412","","","","3.13","","","","","","","has coordinates","275240","2022-05-09","00:44:05",""
"7119155","25.7611","0.0004","25.7611","0.0004","6.7565","0.0003","90","","90","","120","","3883.12","0.19","100","","100","","","","","","","","","5","R -3 :H","-R 3","148","","","","- C4 H Ne1.045 Ni O3 -","- C4 H Ne1.04417 Ni O3 -","- C72 H18 Ne18.795 Ni18 O54 -","18","1","","Wood, Peter A.; Sarjeant, Amy A.; Yakovenko, Andrey A.; Ward, Suzanna C.; Groom, Colin R.","Capturing neon – the first experimental structure of neon trapped within a metal-organic environment","Chemical Communications (Cambridge, United Kingdom)","2016","52","65","10048","10051","10.1039/c6cc04808k","powder diffraction","x-ray","0.72768","synchrotron","","0.0424","0.0424","","0.0558","0.0558","","","","3.26","","","","","","","has coordinates","275240","2022-05-09","00:44:06",""
"7119156","28.6315","0.0013","9.2743","0.0005","9.2833","0.0005","90","","116.615","0.004","90","","2203.9","0.2","100","","100","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C8.5 H7 Cu N5 Ne0.446 O2 -","- C8.5 H7 Cu N5 Ne0.4455 O2 -","- C68 H56 Cu8 N40 Ne3.564 O16 -","8","1","","Wood, Peter A.; Sarjeant, Amy A.; Yakovenko, Andrey A.; Ward, Suzanna C.; Groom, Colin R.","Capturing neon – the first experimental structure of neon trapped within a metal-organic environment","Chemical Communications (Cambridge, United Kingdom)","2016","52","65","10048","10051","10.1039/c6cc04808k","powder diffraction","x-ray","0.72768","synchrotron","","0.032","0.0308","","0.0432","0.043","","","","3.51","","","","","","","has coordinates","275240","2022-05-09","00:44:06",""
"7119157","28.6841","0.0011","9.2655","0.0005","9.3005","0.0004","90","","116.369","0.003","90","","2214.63","0.18","200","","200","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C8.5 H7 Cu N5 Ne0.316 O2 -","- C8.5 H7 Cu N5 Ne0.3165 O2 -","- C68 H56 Cu8 N40 Ne2.532 O16 -","8","1","","Wood, Peter A.; Sarjeant, Amy A.; Yakovenko, Andrey A.; Ward, Suzanna C.; Groom, Colin R.","Capturing neon – the first experimental structure of neon trapped within a metal-organic environment","Chemical Communications (Cambridge, United Kingdom)","2016","52","65","10048","10051","10.1039/c6cc04808k","powder diffraction","x-ray","0.72768","synchrotron","","0.0315","0.03","","0.0461","0.0455","","","","4.23","","","","","","","has coordinates","275240","2022-05-09","00:44:06",""
"7119158","25.7522","0.0003","25.7522","0.0003","6.7576","0.0003","90","","90","","120","","3881.07","0.18","295","","295","","","","","","","","","5","R -3 :H","-R 3","148","","","","- C4 H Ne0.223 Ni O3 -","- C4 H Ne0.223 Ni O3 -","- C72 H18 Ne4.014 Ni18 O54 -","18","1","","Wood, Peter A.; Sarjeant, Amy A.; Yakovenko, Andrey A.; Ward, Suzanna C.; Groom, Colin R.","Capturing neon – the first experimental structure of neon trapped within a metal-organic environment","Chemical Communications (Cambridge, United Kingdom)","2016","52","65","10048","10051","10.1039/c6cc04808k","powder diffraction","x-ray","0.72768","synchrotron","","0.0217","0.0217","","0.036","0.036","","","","3.5","","","","","","","has coordinates","275240","2022-05-09","00:44:06",""
"7119159","28.7444","0.0011","9.2672","0.0005","9.3295","0.0004","90","","116.097","0.003","90","","2231.83","0.19","295","","295","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C8.5 H7 Cu N5 Ne0.179 O2 -","- C8.5 H7 Cu N5 Ne0.179 O2 -","- C68 H56 Cu8 N40 Ne1.432 O16 -","8","1","","Wood, Peter A.; Sarjeant, Amy A.; Yakovenko, Andrey A.; Ward, Suzanna C.; Groom, Colin R.","Capturing neon – the first experimental structure of neon trapped within a metal-organic environment","Chemical Communications (Cambridge, United Kingdom)","2016","52","65","10048","10051","10.1039/c6cc04808k","powder diffraction","x-ray","0.72768","synchrotron","","0.0354","0.0348","","0.0537","0.0535","","","","4.28","","","","","","","has coordinates","275240","2022-05-09","00:44:06",""
"7119160","12.554","0.002","8.8499","0.0015","12.6253","0.0017","90","","103.988","0.005","90","","1361.1","0.4","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","piracetam gallic acid","","- C13 H16 N2 O7 -","- C13 H16 N2 O7 -","- C52 H64 N8 O28 -","4","1","","Lynne H. Thomas; Craig Wales; Chick C. Wilson","Selective preparation of elusive and alternative single component polymorphic solid forms through multi-component crystallisation routes","Chem.Commun.","2016","52","","7372","","","","","0.71075","MoKα","","0.1209","0.0562","","","0.1176","0.1633","","","","","","1.056","","","","has coordinates","186020","2020-10-21","18:00:00",""
"7119161","3.6803","0.0003","27.724","0.0019","9.3579","0.0007","90","","94.397","0.003","90","","952","0.12","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","Gallic acid monohydrate","","- C7 H8 O6 -","- C7 H6 O6 -","- C28 H24 O24 -","4","1","","Lynne H. Thomas; Craig Wales; Chick C. Wilson","Selective preparation of elusive and alternative single component polymorphic solid forms through multi-component crystallisation routes","Chem.Commun.","2016","52","","7372","","","","","0.71073","MoKα","","0.1327","0.0568","","","0.1474","0.1636","","","","","","0.907","","","","has coordinates","186020","2020-10-21","18:00:00",""
"7119162","7.8557","0.0003","10.1043","0.0004","10.4713","0.0005","80.602","0.002","68.952","0.002","69.742","0.002","727.01","0.05","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","piroxicam","","- C15 H13 N3 O4 S -","- C15 H13 N3 O4 S -","- C30 H26 N6 O8 S2 -","2","1","","Lynne H. Thomas; Craig Wales; Chick C. Wilson","Selective preparation of elusive and alternative single component polymorphic solid forms through multi-component crystallisation routes","Chem.Commun.","2016","52","","7372","","","","","0.71073","MoKα","","0.0678","0.0407","","","0.0919","0.1011","","","","","","0.968","","","","has coordinates","186020","2020-10-21","18:00:00",""
"7119163","12.6899","0.0009","14.6928","0.0009","20.5097","0.0016","84.866","0.002","74.669","0.003","84.683","0.002","3663.7","0.4","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","piroxicam","","- C15 H13 N3 O4 S -","- C15 H13 N3 O4 S -","- C150 H130 N30 O40 S10 -","10","5","","Lynne H. Thomas; Craig Wales; Chick C. Wilson","Selective preparation of elusive and alternative single component polymorphic solid forms through multi-component crystallisation routes","Chem.Commun.","2016","52","","7372","","","","","0.71075","MoKα","","0.1569","0.0809","","","0.2094","0.2819","","","","","","1.017","","","","has coordinates","186020","2020-10-21","18:00:00",""
"7119164","7.0374","0.0019","12.917","0.004","25.467","0.008","84.077","0.007","89.174","0.007","83.327","0.006","2287","1.2","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","piroxicam methanol solvate","","- C46 H43 N9 O13 S3 -","- C46 H43 N9 O13 S3 -","- C92 H86 N18 O26 S6 -","2","1","","Lynne H. Thomas; Craig Wales; Chick C. Wilson","Selective preparation of elusive and alternative single component polymorphic solid forms through multi-component crystallisation routes","Chem.Commun.","2016","52","","7372","","","","","0.71075","MoKα","","0.3371","0.2271","","","0.4776","0.5325","","","","","","1.44","","","","has coordinates","186020","2020-10-21","18:00:00",""
"7119165","9.0171","0.0005","11.0071","0.0006","23.9483","0.0013","90","","90","","90","","2376.9","0.2","123","","123","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","Cyheptamiede Form-III","","- C16 H15 N O -","- C16 H15 N O -","- C128 H120 N8 O8 -","8","1","","Vijay K. Srirambhatla; Rui Guo; Sarah L. Price; Alastair J. Florence","Isomorphous template induced crystallisation: a robust method for the targeted crystallisation of computationally predicted metastable polymorphs","Chem.Commun.","2016","52","","7384","","","","","1.54178","CuKα","","0.0518","0.0441","","0.0556","0.0465","0.0445","","","","","","0.8911","","","","has coordinates","186021","2020-10-21","18:00:00",""
"7119166","15.113","0.003","7.708","0.0015","16.178","0.003","90","","94","0.03","90","","1880","0.6","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","1-TA-AN","","- C26 H16 S2 -","- C26 H16 S2 -","- C104 H64 S8 -","4","1","","Haichao Liu; Liang Yao; Bao Li; Xiankai Chen; Yu Gao; Shitong Zhang; Weijun Li; Ping Lu; Bing Yang; Yuguang Ma","Excimer-induced high-efficiency fluorescence due to pairwise anthracene stacking in a crystal with long lifetime","Chem.Commun.","2016","52","","7356","","","","","0.71073","MoKα","","0.0588","0.0429","","","0.1055","0.1135","","","","","","1.051","","","","has coordinates","186022","2020-10-21","18:00:00",""
"7119167","17.08","0.003","11.919","0.002","19.8","0.004","90","","104.04","0.03","90","","3910.4","1.3","293","2","293","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","2-TA-AN","","- C26 H16 S2 -","- C26 H16 S2 -","- C208 H128 S16 -","8","1","","Haichao Liu; Liang Yao; Bao Li; Xiankai Chen; Yu Gao; Shitong Zhang; Weijun Li; Ping Lu; Bing Yang; Yuguang Ma","Excimer-induced high-efficiency fluorescence due to pairwise anthracene stacking in a crystal with long lifetime","Chem.Commun.","2016","52","","7356","","","","","0.71073","MoKα","","0.0557","0.0423","","","0.1191","0.1252","","","","","","1.032","","","","has coordinates","186022","2020-10-21","18:00:00",""
"7119168","10.9129","0.0004","7.8194","0.0003","22.428","0.0008","90","","97.304","0.002","90","","1898.3","0.12","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C22 H23 N3 O4 -","- C22 H23 N3 O4 -","- C88 H92 N12 O16 -","4","1","","Haiyan Yu; Wang Ren; Hongguang Lu; Yanan Liang; Qiusheng Wang","Synthesis and piezochromic luminescence study of a coumarin hydrozone compound","Chem.Commun.","2016","52","","7387","","","","x-ray","0.71073","MoKα","","0.0431","0.0385","","","0.1031","0.1069","","","","","","1.024","","","","has coordinates","186023","2020-10-21","18:00:00",""
"7119169","12.37","0.003","12.834","0.004","18.49","0.005","98.783","0.018","91.487","0.006","104.872","0.007","2797.3","1.4","93","2","93","2","","","","","","","","5","P -1","-P 1","2","","","","- C21 H11 F26 N O2 -","- C21 H11 F26 N O2 -","- C84 H44 F104 N4 O8 -","4","2","","Yohei Haketa; Ryota Takasago; Hiromitsu Maeda","beta-Perfluoroalkyl-substituted pyrrole as an anion-responsive pi-electronic system through a single NH moiety","Chem.Commun.","2016","52","","7364","","","","","1.54187","CuKα","","0.0547","0.0505","","","0.1455","0.149","","","","","","1.059","","","","has coordinates,has disorder","192220","2020-10-21","18:00:00",""
"7119170","31.093","0.005","34.507","0.006","24.271","0.006","90","","128.646","0.004","90","","20339","7","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C132 H108 Cd4 N20 O12 -","- C132 H108 Cd4 N20 O12 -","- C528 H432 Cd16 N80 O48 -","4","0.5","","Thirumurugan Prakasam; Rana A. Bilbeisi; Matteo Lusi; John-Carl Olsen; Carlos Platas-Iglesias; Ali Trabolsi","Post-synthetic modifications of cadmium-based knots and links","Chem.Commun.","2016","52","","7398","","","","","1.54178","CuKα","","0.4424","0.283","","","0.4981","0.5455","","","","","","1.447","","","","has coordinates","186025","2020-10-21","18:00:00",""
"7119171","12.5188","0.0005","15.3848","0.0007","42.5644","0.0017","90","","90","","90","","8197.9","0.6","100","2","100","2","","","","","","","","7","I b a m","-I 2 2c","72","","","","- C70 H56 B Cd2 F4 N10 O8 -","- C70 H56 B Cd2 F4 N10 O8 -","- C280 H224 B4 Cd8 F16 N40 O32 -","4","0.25","","Thirumurugan Prakasam; Rana A. Bilbeisi; Matteo Lusi; John-Carl Olsen; Carlos Platas-Iglesias; Ali Trabolsi","Post-synthetic modifications of cadmium-based knots and links","Chem.Commun.","2016","52","","7398","","","","","1.54178","CuKα","","0.0792","0.0614","","","0.2078","0.2219","","","","","","1.449","","","","has coordinates,has disorder","186025","2020-10-21","18:00:00",""
"7119172","18.6042","0.0006","18.6042","0.0006","51.5285","0.0019","90","","90","","120","","15445.4","0.9","100","2","100","2","","","","","","","","7","R 3 c :H","R 3 -2""c","161","","","","- C105 H69 Cd3 F9 N15 O24 Re3 -","- C105 H69 Cd3 F9 N15 O24 Re3 -","- C630 H414 Cd18 F54 N90 O144 Re18 -","6","0.333333","","Thirumurugan Prakasam; Rana A. Bilbeisi; Matteo Lusi; John-Carl Olsen; Carlos Platas-Iglesias; Ali Trabolsi","Post-synthetic modifications of cadmium-based knots and links","Chem.Commun.","2016","52","","7398","","","","","1.54178","CuKα","","0.0434","0.0409","","","0.1078","0.1131","","","","","","1.081","","","","has coordinates","186025","2020-10-21","18:00:00",""
"7119173","19.5965","0.0003","19.5965","0.0003","16.078","0.0003","90","","90","","90","","6174.32","0.18","173","2","173","2","","","","","","","","8","P 4/n :2","-P 4a","85","","","","- C64 H60 F3 N12 O52 P W12 Zn2 -","- C64 H60 F3 N12 O52 P W12 Zn2 -","- C128 H120 F6 N24 O104 P2 W24 Zn4 -","2","0.25","","Jian-Zhen Liao; Chen Wu; Xiao-Yuan Wu; Shui-Quan Deng; Can-Zhong Lu","Exceptional photosensitivity of a polyoxometalate-based charge-transfer hybrid material","Chem.Commun.","2016","52","","7394","","","","","1.54184","CuKα","","0.0442","0.034","","","0.0727","0.0765","","","","","","1.064","","","","has coordinates","186026","2020-10-21","18:00:00",""
"7119174","11.891","0.0009","16.2219","0.0012","15.2941","0.0011","90","","93.262","0.004","90","","2945.4","0.4","296","2","296","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C18 H16 O4 -","- C18 H16 O4 -","- C144 H128 O32 -","8","2","","Rajkumar Lalji Sahani; Rai-Shung Liu","Gold-catalyzed [4+3] and [4+4]-annulation reactions of t-butyl propiolate derivatives with epoxides and oxetanes for the construction of 1,4-dioxepane and 1,5-dioxocane cores","Chem.Commun.","2016","52","","7482","","","","","0.71073","MoKα","","0.0986","0.0489","","","0.1296","0.172","","","","","","0.99","","","","has coordinates","193656","2020-10-21","18:00:00",""
"7119175","5.7294","0.0005","16.4971","0.0016","16.9275","0.0016","90","","96.391","0.002","90","","1590","0.3","302","2","302","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C19 H18 O4 -","- C19 H18 O4 -","- C76 H72 O16 -","4","1","","Rajkumar Lalji Sahani; Rai-Shung Liu","Gold-catalyzed [4+3] and [4+4]-annulation reactions of t-butyl propiolate derivatives with epoxides and oxetanes for the construction of 1,4-dioxepane and 1,5-dioxocane cores","Chem.Commun.","2016","52","","7482","","","","","0.71073","MoKα","","0.0982","0.0471","","","0.1007","0.1197","","","","","","1.009","","","","has coordinates","186027","2020-10-21","18:00:00",""
"7119176","8.2011","0.0002","3.5207","0.0001","9.9129","0.0003","90","","110.987","0.002","90","","267.234","0.013","296.15","","296.15","","","","","","","","","4","P 1 2/m 1","-P 2y","10","","H4Mn2V9O14","","- Mn1.5 N O13 V4 -","- Mn1.5 N O13 V4 -","- Mn1.5 N O13 V4 -","1","0.25","","Martin K. Dufficy; Lan Luo; Peter S. Fedkiw; Paul A. Maggard","Vacancy-induced manganese vanadates and their potential application to Li-ion batteries","Chem.Commun.","2016","52","","7509","","","","","0.71073","MoKα","","0.0533","0.0362","","","0.0936","0.1019","","","","","","1.079","","","","has coordinates","186028","2020-10-21","18:00:00",""
"7119177","13.0691","0.0004","13.0691","0.0004","30.157","0.001","90","","90","","90","","5150.9","0.3","300","","300","","","","","","","","","5","I -4 2 d","I -4 2bw","122","","potassium cobalt (II) citrate, UTSA-16","","- C12 H8 Co3 K O20 -","- C12 H8 Co3 K O20 -","- C96 H64 Co24 K8 O160 -","8","0.5","","Jack Binns; Konstantin V. Kamenev; Katie E. R. Marriott; Garry J. McIntyre; Stephen A. Moggach; Mark Murrie; Simon Parsons","A non-topological mechanism for negative linear compressibility","Chem.Commun.","2016","52","","7486","","","","","0.71073","MoKα","","0.0389","0.0352","","0.0961","0.0893","0.0893","","","","","","0.9014","","","","has coordinates","186029","2020-10-21","18:00:00",""
"7119178","13.0005","0.0005","13.0005","0.0005","30.2002","0.0011","90","","90","","90","","5104.2","0.3","293","","293","","","","","","","","","5","I -4 2 d","I -4 2bw","122","","potassium cobalt (II) citrate, UTSA-16","","- C12 H8 Co3 K O18 -","- C12 H8 Co3 K O18 -","- C96 H64 Co24 K8 O144 -","8","0.5","","Jack Binns; Konstantin V. Kamenev; Katie E. R. Marriott; Garry J. McIntyre; Stephen A. Moggach; Mark Murrie; Simon Parsons","A non-topological mechanism for negative linear compressibility","Chem.Commun.","2016","52","","7486","","","","","0.71073","MoKα","","0.0866","0.0576","","0.3531","0.1485","0.1485","","","","","","0.9537","","","","has coordinates","186029","2020-10-21","18:00:00",""
"7119179","12.8201","0.0005","12.8201","0.0005","30.2685","0.0012","90","","90","","90","","4974.8","0.3","293","","293","","","","0.5","","","","","5","I -4 2 d","I -4 2bw","122","","potassium cobalt (II) citrate, UTSA-16","","- C12 H8 Co3 K O18 -","- C12 H8 Co3 K O18 -","- C96 H64 Co24 K8 O144 -","8","0.5","","Jack Binns; Konstantin V. Kamenev; Katie E. R. Marriott; Garry J. McIntyre; Stephen A. Moggach; Mark Murrie; Simon Parsons","A non-topological mechanism for negative linear compressibility","Chem.Commun.","2016","52","","7486","","","","","0.71073","MoKα","","0.091","0.0672","","0.2657","0.1806","0.169","","","","","","1.0214","","","","has coordinates","186029","2020-10-21","18:00:00",""
"7119180","12.6111","0.0005","12.6111","0.0005","30.2999","0.0011","90","","90","","90","","4818.9","0.3","293","","293","","","","1","","","","","5","I -4 2 d","I -4 2bw","122","","potassium cobalt (II) citrate, UTSA-16","","- C12 H8 Co3 K O18 -","- C12 H8 Co3 K O18 -","- C96 H64 Co24 K8 O144 -","8","0.5","","Jack Binns; Konstantin V. Kamenev; Katie E. R. Marriott; Garry J. McIntyre; Stephen A. Moggach; Mark Murrie; Simon Parsons","A non-topological mechanism for negative linear compressibility","Chem.Commun.","2016","52","","7486","","","","","0.71073","MoKα","","0.1068","0.0774","","0.2688","0.2027","0.1949","","","","","","1.0185","","","","has coordinates","186029","2020-10-21","18:00:00",""
"7119181","5.9638","0.0001","7.4011","0.0001","40.7678","0.0005","90","","90","","90","","1799.44","0.04","293","","293.15","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C21 H20 O4 -","- C21 H20 O4 -","- C84 H80 O16 -","4","1","","Wei Zhou; Peng Chen; Mengna Tao; Xiao Su; Qingjie Zhao; Junliang Zhang","Enantioselective intermolecular cross Rauhut-Currier reactions of activated alkenes with acrolein","Chem.Commun.","2016","52","","7612","","","","","1.54178","CuKα","","0.0452","0.041","","","0.1187","0.1239","","","","","","1.044","","","","has coordinates","186030","2020-10-21","18:00:00",""
"7119182","8.966","0.0004","10.6824","0.0004","34.6972","0.0013","90","","90","","90","","3323.2","0.2","296","2","296","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C39 H38 N O P S -","- C39 H38 N O P S -","- C156 H152 N4 O4 P4 S4 -","4","1","","Wei Zhou; Peng Chen; Mengna Tao; Xiao Su; Qingjie Zhao; Junliang Zhang","Enantioselective intermolecular cross Rauhut-Currier reactions of activated alkenes with acrolein","Chem.Commun.","2016","52","","7612","","","","","0.71073","MoKα","","0.074","0.0486","","","0.106","0.1201","","","","","","1.016","","","","has coordinates","186030","2020-10-21","18:00:00",""
"7119183","12.7414","0.0005","7.5452","0.0003","15.8499","0.0007","90","","104.524","0.003","90","","1475.06","0.11","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C16 H21 B Fe O2 -","- C16 H21 B Fe O2 -","- C64 H84 B4 Fe4 O8 -","4","1","","Anis Tlili; Arnaud Voituriez; Angela Marinetti; Pierre Thuery; Thibault Cantat","Synergistic effects in ambiphilic phosphino-borane catalysts for the hydroboration of CO2","Chem.Commun.","2016","52","","7553","","","","","0.71073","MoKα","","0.0432","0.0297","","","0.0787","0.0823","","","","","","1.073","","","","has coordinates","186031","2020-10-21","18:00:00",""
"7119184","11.735","0.0005","9.4232","0.0005","18.5619","0.001","90","","102.544","0.002","90","","2003.6","0.17","150","2","150","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C23 H28 O5 -","- C23 H28 O5 -","- C92 H112 O20 -","4","1","","Herdman, Christine A.; Strecker, Tracy E.; Tanpure, Rajendra P.; Chen, Zhi; Winters, Alex; Gerberich, Jeni; Liu, Li; Hamel, Ernest; Mason, Ralph P.; Chaplin, David J.; Trawick, Mary Lynn; Pinney, Kevin G.","Synthesis and biological evaluation of benzocyclooctene-based and indene-based anticancer agents that function as inhibitors of tubulin polymerization","Med. Chem. Commun.","2016","7","12","2418","","10.1039/C6MD00459H","","","0.71073","MoKα","","0.0879","0.0541","","","0.1131","0.1267","","","","","","1.025","","","","has coordinates","190226","2020-10-21","18:00:00",""
"7119185","16.641","0.0012","11.1239","0.0008","20.557","0.0013","90","","90","","90","","3805.4","0.5","150","2","150","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C22 H26 O5 -","- C22 H26 O5 -","- C176 H208 O40 -","8","1","","Herdman, Christine A.; Strecker, Tracy E.; Tanpure, Rajendra P.; Chen, Zhi; Winters, Alex; Gerberich, Jeni; Liu, Li; Hamel, Ernest; Mason, Ralph P.; Chaplin, David J.; Trawick, Mary Lynn; Pinney, Kevin G.","Synthesis and biological evaluation of benzocyclooctene-based and indene-based anticancer agents that function as inhibitors of tubulin polymerization","Med. Chem. Commun.","2016","7","12","2418","","10.1039/C6MD00459H","","","0.71073","MoKα","","0.0476","0.0365","","","0.0902","0.0964","","","","","","1.029","","","","has coordinates","190226","2020-10-21","18:00:00",""
"7119186","14.181","0.002","12.844","0.0009","11.3534","0.0008","90","","105.364","0.008","90","","1994","0.4","223","2","223","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H27 Cl2 N3 O2 -","- C20 H27 Cl2 N3 O2 -","- C80 H108 Cl8 N12 O8 -","4","1","","Wenker, Yvonne; Soeberdt, Michael; Daniliuc, Constantin; Ständer, Sonja; Schepmann, Dirk; Wünsch, Bernhard","Synthesis and pharmacological evaluation of conformationally restricted κ-opioid receptor agonists","Med. Chem. Commun.","2016","7","12","2368","","10.1039/C6MD00441E","","","1.54178","CuKα","","0.0397","0.0368","","","0.0935","0.0959","","","","","","1.04","","","","has coordinates","190225","2020-10-21","18:00:00",""
"7119193","11.3237","0.0019","25.174","0.004","19.208","0.003","90","","104.37","0.009","90","","5304.2","1.5","150","2","150","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C55 H84 B Cl Fe N6 O -","- C55 H84 B Cl Fe N6 O -","- C220 H336 B4 Cl4 Fe4 N24 O4 -","4","1","","Hickey, Anne K.; Muñoz, Salvador B; Lutz, Sean A.; Pink, Maren; Chen, Chun-Hsing; Smith, Jeremy M.","Arrested α-hydride migration activates a phosphido ligand for C-H insertion.","Chemical communications (Cambridge, England)","2016","53","2","412","415","10.1039/c6cc07864h","","","0.71073","MoKα","","0.0882","0.0513","","","0.1215","0.132","","","","","","1.044","","","","has coordinates,has disorder","189724","2020-10-21","18:00:00",""
"7119194","12.2416","0.0005","12.4664","0.0005","13.9258","0.0006","106.384","0.001","90.0628","0.0011","91.3197","0.001","2038.29","0.15","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C48 H48 B Fe N8 P -","- C48 H48 B Fe N8 P -","- C96 H96 B2 Fe2 N16 P2 -","2","1","","Hickey, Anne K.; Muñoz, Salvador B; Lutz, Sean A.; Pink, Maren; Chen, Chun-Hsing; Smith, Jeremy M.","Arrested α-hydride migration activates a phosphido ligand for C-H insertion.","Chemical communications (Cambridge, England)","2016","53","2","412","415","10.1039/c6cc07864h","","","0.41328","synchrotron","","0.1122","0.0622","","0.1774","0.1361","0.1771","","","","","","1.1659","","","","has coordinates","189724","2020-10-21","18:00:00",""
"7119195","16.1882","0.0006","21.3706","0.0008","29.4853","0.001","90","","100.31","0.0018","90","","10035.8","0.6","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C54.25 H65 B Fe N8 P -","- C54.25 H65 B Fe N8 P -","- C434 H520 B8 Fe8 N64 P8 -","8","2","","Hickey, Anne K.; Muñoz, Salvador B; Lutz, Sean A.; Pink, Maren; Chen, Chun-Hsing; Smith, Jeremy M.","Arrested α-hydride migration activates a phosphido ligand for C-H insertion.","Chemical communications (Cambridge, England)","2016","53","2","412","415","10.1039/c6cc07864h","","","0.71073","MoKα","","0.062","0.0419","","","0.103","0.1142","","","","","","1.012","","","","has coordinates,has disorder","189724","2020-10-21","18:00:00",""
"7119196","10.59","0.0004","26.1279","0.0009","40.2762","0.0014","90","","91.277","0.002","90","","11141.4","0.7","150","","150","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C58.25 H82.5 B Fe N6 P -","- C58.25 H82.5 B Fe N6 P -","- C466 H660 B8 Fe8 N48 P8 -","8","2","","Hickey, Anne K.; Muñoz, Salvador B; Lutz, Sean A.; Pink, Maren; Chen, Chun-Hsing; Smith, Jeremy M.","Arrested α-hydride migration activates a phosphido ligand for C-H insertion.","Chemical communications (Cambridge, England)","2016","53","2","412","415","10.1039/c6cc07864h","","","0.71073","MoKα","","0.1793","0.0915","","0.2441","0.2092","0.2439","","","","","","0.9403","","","","has coordinates,has disorder","189724","2020-10-21","18:00:00",""
"7119197","37.4525","0.0014","16.3865","0.0006","11.13","0.0004","90","","90.917","0.002","90","","6829.8","0.4","150","2","150","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C34.68 H48.19 B Fe N6 O0.42 P -","- C34.676 H48.19 B Fe N6 O0.419 P -","- C277.408 H385.52 B8 Fe8 N48 O3.352 P8 -","8","1","","Hickey, Anne K.; Muñoz, Salvador B; Lutz, Sean A.; Pink, Maren; Chen, Chun-Hsing; Smith, Jeremy M.","Arrested α-hydride migration activates a phosphido ligand for C-H insertion.","Chemical communications (Cambridge, England)","2016","53","2","412","415","10.1039/c6cc07864h","","","0.71073","MoKα","","0.0701","0.0576","","","0.1469","0.1558","","","","","","1.058","","","","has coordinates,has disorder","189724","2020-10-21","18:00:00",""
"7119198","23.1625","0.0003","23.7759","0.0004","24.2858","0.0003","108.55","0.001","101.782","0.001","90.416","0.001","12374.8","0.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C399 H407 Cd8 N101 O87 -","- C399 H403 Cd8 N97 O75 -","- C399 H403 Cd8 N97 O75 -","1","0.5","","Piper, Jerico R.; Cletheroe, Lewis; Taylor, Christopher G. P.; Metherell, Alexander J.; Weinstein, Julia A.; Sazanovich, Igor V.; Ward, Michael D.","Photoinduced energy- and electron-transfer from a photoactive coordination cage to bound guests.","Chemical communications (Cambridge, England)","2016","53","2","408","411","10.1039/c6cc09298e","","","0.71075","MoKα","","0.1278","0.0925","","","0.3005","0.3325","","","","","","1.273","","","","has coordinates,has disorder","189725","2020-10-21","18:00:00",""
"7119199","10.179","0.013","13.62","0.02","14.88","0.03","114.57","0.03","100.377","0.016","101.214","0.015","1760","5","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C27 H22 Cl8 N W -","- C27 H22 Cl8 N W -","- C54 H44 Cl16 N2 W2 -","2","1","","Bortoluzzi, Marco; Funaioli, Tiziana; Marchetti, Fabio; Pampaloni, Guido; Pinzino, Calogero; Zacchini, Stefano","One pot conversion of benzophenone imine into the relevant 2-aza-allenium.","Chemical communications (Cambridge, England)","2016","53","2","364","367","10.1039/c6cc08702g","","","0.71073","MoKα","","0.3078","0.1915","","","0.4162","0.4749","","","","","","1.335","","","","has coordinates","189726","2020-10-21","18:00:00",""
"7119200","7.4444","0.0008","8.2789","0.0009","13.8475","0.0015","90","","93.494","0.004","90","","851.86","0.16","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","N-acetyoxyindole","","","- C10 H9 N O2 -","- C10 H9 N O2 -","- C40 H36 N4 O8 -","4","1","","Patel, Pitambar; Borah, Gongutri","Synthesis of oxindole from acetanilide via Ir(iii)-catalyzed C-H carbenoid functionalization.","Chemical communications (Cambridge, England)","2016","53","2","443","446","10.1039/c6cc08788d","","","0.71073","MoKα","","0.0515","0.0453","","","0.1298","0.1399","","","","","","1.143","","","","has coordinates","189728","2020-10-21","18:00:00",""
"7119201","9.2411","0.0003","11.5601","0.0004","15.5168","0.0006","92.0833","0.0013","103.405","0.0011","113.416","0.0011","1464.26","0.09","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C25 H26 Fe2 O5 P S4 -","- C25 H26 Fe2 O5 P S4 -","- C50 H52 Fe4 O10 P2 S8 -","2","1","","Yen, Tao-Hung; He, Zong-Cheng; Lee, Gene-Hsiang; Tseng, Mei-Chun; Shen, Yu-Hsuan; Tseng, Tien-Wen; Liaw, Wen-Feng; Chiang, Ming-Hsi","Reduced thione ligation is preferred over neutral phosphine ligation in diiron biomimics regarding electronic functionality: a spectroscopic and computational investigation.","Chemical communications (Cambridge, England)","2016","53","2","332","335","10.1039/c6cc08042a","","","0.71073","MoKα","","0.0362","0.0278","","","0.0654","0.0689","","","","","","1.047","","","","has coordinates,has disorder","189729","2020-10-21","18:00:00",""
"7119202","11.7609","0.0003","13.8406","0.0003","15.6381","0.0004","90","","104.091","0.0012","90","","2468.95","0.1","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C21 H19 Fe2 O4 P S4 -","- C21 H19 Fe2 O4 P S4 -","- C84 H76 Fe8 O16 P4 S16 -","4","1","","Yen, Tao-Hung; He, Zong-Cheng; Lee, Gene-Hsiang; Tseng, Mei-Chun; Shen, Yu-Hsuan; Tseng, Tien-Wen; Liaw, Wen-Feng; Chiang, Ming-Hsi","Reduced thione ligation is preferred over neutral phosphine ligation in diiron biomimics regarding electronic functionality: a spectroscopic and computational investigation.","Chemical communications (Cambridge, England)","2016","53","2","332","335","10.1039/c6cc08042a","","","0.71073","MoKα","","0.036","0.0259","","","0.0572","0.0603","","","","","","1.027","","","","has coordinates,has disorder","189729","2020-10-21","18:00:00",""
"7119203","11.3924","0.0007","9.7151","0.0006","13.2754","0.0007","90","","92.909","0.003","90","","1467.41","0.15","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C14 H16 B P S2 -","- C14 H16 B P S2 -","- C56 H64 B4 P4 S8 -","4","1","","Yen, Tao-Hung; He, Zong-Cheng; Lee, Gene-Hsiang; Tseng, Mei-Chun; Shen, Yu-Hsuan; Tseng, Tien-Wen; Liaw, Wen-Feng; Chiang, Ming-Hsi","Reduced thione ligation is preferred over neutral phosphine ligation in diiron biomimics regarding electronic functionality: a spectroscopic and computational investigation.","Chemical communications (Cambridge, England)","2016","53","2","332","335","10.1039/c6cc08042a","","","0.71073","MoKα","","0.081","0.0461","","","0.1066","0.1217","","","","","","1.036","","","","has coordinates","189729","2020-10-21","18:00:00",""
"7119204","9.4733","0.0003","25.2126","0.0008","10.1241","0.0003","90","","93.192","0.001","90","","2414.35","0.13","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C21 H17 Fe2 O5 P S4 -","- C21 H17 Fe2 O5 P S4 -","- C84 H68 Fe8 O20 P4 S16 -","4","1","","Yen, Tao-Hung; He, Zong-Cheng; Lee, Gene-Hsiang; Tseng, Mei-Chun; Shen, Yu-Hsuan; Tseng, Tien-Wen; Liaw, Wen-Feng; Chiang, Ming-Hsi","Reduced thione ligation is preferred over neutral phosphine ligation in diiron biomimics regarding electronic functionality: a spectroscopic and computational investigation.","Chemical communications (Cambridge, England)","2016","53","2","332","335","10.1039/c6cc08042a","","","0.71073","MoKα","","0.0353","0.026","","","0.0539","0.0565","","","","","","1.032","","","","has coordinates","189729","2020-10-21","18:00:00",""
"7119205","9.6554","0.0004","16.4735","0.0008","14.8482","0.0008","90","","103.663","0.0014","90","","2294.9","0.19","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C20 H17 Fe2 O4 P S4 -","- C20 H17 Fe2 O4 P S4 -","- C80 H68 Fe8 O16 P4 S16 -","4","1","","Yen, Tao-Hung; He, Zong-Cheng; Lee, Gene-Hsiang; Tseng, Mei-Chun; Shen, Yu-Hsuan; Tseng, Tien-Wen; Liaw, Wen-Feng; Chiang, Ming-Hsi","Reduced thione ligation is preferred over neutral phosphine ligation in diiron biomimics regarding electronic functionality: a spectroscopic and computational investigation.","Chemical communications (Cambridge, England)","2016","53","2","332","335","10.1039/c6cc08042a","","","0.71073","MoKα","","0.0341","0.0244","","","0.0516","0.0551","","","","","","1.026","","","","has coordinates","189729","2020-10-21","18:00:00",""
"7119215","16.9445","0.0002","37.8065","0.0003","17.8856","0.0002","90","","116.408","0.002","90","","10262.1","0.3","123","2","123","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C22 H58 N4 Na2 Si4 -","- C22 H58 N4 Na2 Si4 -","- C264 H696 N48 Na24 Si48 -","12","6","","Ojeda-Amador, Ana I; Martínez-Martínez, Antonio J; Kennedy, Alan R.; Armstrong, David R.; O'Hara, Charles T","Monodentate coordination of the normally chelating chiral diamine (R,R)-TMCDA.","Chemical communications (Cambridge, England)","2016","53","2","324","327","10.1039/c6cc07190b","","","1.54184","CuKα","","0.0441","0.041","","","0.103","0.1059","","","","","","1.014","","","","has coordinates","189731","2020-10-21","18:00:00",""
"7119216","11.6278","0.0004","11.867","0.0005","32.841","0.002","90","","90","","90","","4531.6","0.4","123","2","123","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C32 H80 N6 Na2 Si4 -","- C32 H80 N6 Na2 Si4 -","- C128 H320 N24 Na8 Si16 -","4","1","","Ojeda-Amador, Ana I; Martínez-Martínez, Antonio J; Kennedy, Alan R.; Armstrong, David R.; O'Hara, Charles T","Monodentate coordination of the normally chelating chiral diamine (R,R)-TMCDA.","Chemical communications (Cambridge, England)","2016","53","2","324","327","10.1039/c6cc07190b","","","0.71073","MoKα","","0.0605","0.0431","","","0.0859","0.0927","","","","","","1.026","","","","has coordinates,has disorder","189731","2020-10-21","18:00:00",""
"7119221","11.4284","0.0012","12.1152","0.0013","13.5551","0.0014","87.976","0.004","67.853","0.004","72.668","0.004","1653.1","0.3","100","2","100","2","","","","","","","synthesis as described","5","P -1","-P 1","2","","Cyanodimesityl(4-(methyldiphenylphosphonio)phenyl)borate","","- C40 H42 B N2 P -","- C40 H42 B N2 P -","- C80 H84 B2 N4 P2 -","2","1","","Perrio, Cécile; Schmitt, Sébastien; Pla, Daniel; Gabbaï, François P; Chansaenpak, Kantapat; Mestre-Voegtle, Béatrice; Gras, Emmanuel","[(18)F]-Fluoride capture and release: azeotropic drying free nucleophilic aromatic radiofluorination assisted by a phosphonium borane.","Chemical communications (Cambridge, England)","2016","53","2","340","343","10.1039/c6cc05168e","","x-ray","0.71073","MoKα","","0.0776","0.0516","","","0.1129","0.1262","","","","","","1.034","","","","has coordinates","189733","2020-10-21","18:00:00",""
"7119230","24.202","0.005","4.5207","0.001","24.218","0.005","90","","112.835","0.003","90","","2442","0.9","100","2","100","2","","","","","","","Nathalie Busschaert","4","P 1 21/n 1","-P 2yn","14","","","","- C13 H15 N O5 -","- C13 H15 N O5 -","- C104 H120 N8 O40 -","8","2","","Busschaert, Nathalie; Thompson, Sam; Hamilton, Andrew D.","An α-helical peptidomimetic scaffold for dynamic combinatorial library formation.","Chemical communications (Cambridge, England)","2016","53","2","313","316","10.1039/c6cc07787k","","","0.71073","MoKα","","0.0677","0.0585","","","0.1376","0.143","","","","","","1.086","","","","has coordinates","189739","2020-10-21","18:00:00",""
"7119231","10.9082","0.0007","10.975","0.0007","12.5933","0.0008","79.491","0.001","80.099","0.001","89.499","0.001","1459.87","0.16","100","2","100","2","","","","","","","Nathalie Busschaert","4","P -1","-P 1","2","","","","- C15 H20 N2 O3 -","- C15 H20 N2 O3 -","- C60 H80 N8 O12 -","4","2","","Busschaert, Nathalie; Thompson, Sam; Hamilton, Andrew D.","An α-helical peptidomimetic scaffold for dynamic combinatorial library formation.","Chemical communications (Cambridge, England)","2016","53","2","313","316","10.1039/c6cc07787k","","","0.71073","MoKα","","0.0636","0.0497","","","0.1358","0.1471","","","","","","1.044","","","","has coordinates,has disorder","189739","2020-10-21","18:00:00",""
"7119232","7.108","0.0014","13.001","0.003","15.084","0.003","112.002","0.003","102.265","0.003","90.523","0.003","1256.8","0.5","100","2","100","2","","","","","","","Nathalie Busschaert","4","P -1","-P 1","2","","","","- C27 H34 N4 O4 -","- C27 H34 N4 O4 -","- C54 H68 N8 O8 -","2","1","","Busschaert, Nathalie; Thompson, Sam; Hamilton, Andrew D.","An α-helical peptidomimetic scaffold for dynamic combinatorial library formation.","Chemical communications (Cambridge, England)","2016","53","2","313","316","10.1039/c6cc07787k","","","0.71073","MoKα","","0.0788","0.0623","","","0.1825","0.1939","","","","","","1.092","","","","has coordinates","189739","2020-10-21","18:00:00",""
"7119233","14.5173","0.0005","12.8034","0.0004","14.6624","0.0005","90","","105.948","0.001","90","","2620.42","0.15","100","2","100","2","","","","","","","Nathalie Busschaert","4","P 1 21/n 1","-P 2yn","14","","","","- C27 H32 N2 O12 -","- C27 H32 N2 O12 -","- C108 H128 N8 O48 -","4","1","","Busschaert, Nathalie; Thompson, Sam; Hamilton, Andrew D.","An α-helical peptidomimetic scaffold for dynamic combinatorial library formation.","Chemical communications (Cambridge, England)","2016","53","2","313","316","10.1039/c6cc07787k","","","0.71073","MoKα","","0.0564","0.0466","","","0.128","0.136","","","","","","1.032","","","","has coordinates","189739","2020-10-21","18:00:00",""
"7119234","10.0905","0.0006","10.9163","0.0006","18.1284","0.001","96.711","0.001","93.445","0.001","101.685","0.001","1934.86","0.19","100","2","100","2","","","","","","","Nathalie Busschaert","4","P -1","-P 1","2","","","","- C38 H56 N4 O10 -","- C37.9999 H55.9997 N4 O9.99994 -","- C75.9997 H111.999 N8 O19.9999 -","2","1","","Busschaert, Nathalie; Thompson, Sam; Hamilton, Andrew D.","An α-helical peptidomimetic scaffold for dynamic combinatorial library formation.","Chemical communications (Cambridge, England)","2016","53","2","313","316","10.1039/c6cc07787k","","","0.71073","MoKα","","0.1308","0.1036","","","0.3158","0.3546","","","","","","1.464","","","","has coordinates,has disorder","189739","2020-10-21","18:00:00",""
"7119235","3.8385","0.0006","10.348","0.0017","12.844","0.002","93.967","0.003","90.145","0.003","95.188","0.003","506.85","0.14","100","2","100","2","","","","","","","Nathalie Busschaert","4","P -1","-P 1","2","","","","- C11 H11 N O4 -","- C11 H11 N O4 -","- C22 H22 N2 O8 -","2","1","","Busschaert, Nathalie; Thompson, Sam; Hamilton, Andrew D.","An α-helical peptidomimetic scaffold for dynamic combinatorial library formation.","Chemical communications (Cambridge, England)","2016","53","2","313","316","10.1039/c6cc07787k","","","0.71073","MoKα","","0.0624","0.0551","","","0.1581","0.1662","","","","","","1.066","","","","has coordinates","189739","2020-10-21","18:00:00",""
"7119350","6.1067","0.0002","13.7465","0.0004","12.4167","0.0003","90","","96.024","0.001","90","","1036.57","0.05","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C6 Cl8 N10 O8 -","- C6 Cl8 N10 O8 -","- C12 Cl16 N20 O16 -","2","0.5","","Srinivas, Dharavath; Mitchell, Lauren A.; Parrish, Damon A.; Shreeve, Jean'ne M.","From FOX-7 to H-FOX to insensitive energetic materials with hypergolic properties","Chemical Communications","2016","52","49","7668","7671","10.1039/c6cc02669a","","","0.71073","MoKα","","0.0328","0.0274","","","0.0757","0.0804","","","","","","1.023","","","","has coordinates","209429","2020-10-21","18:00:00",""
"7119351","10.3037","0.0003","9.6323","0.0003","14.3934","0.0004","90","","107.927","0.001","90","","1359.17","0.07","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C4 H2 Cl2 N10 O8 -","- C4 H2 Cl2 N10 O8 -","- C16 H8 Cl8 N40 O32 -","4","1","","Srinivas, Dharavath; Mitchell, Lauren A.; Parrish, Damon A.; Shreeve, Jean'ne M.","From FOX-7 to H-FOX to insensitive energetic materials with hypergolic properties","Chemical Communications","2016","52","49","7668","7671","10.1039/c6cc02669a","","","0.71073","MoKα","","0.0451","0.0329","","","0.0966","0.1058","","","","","","1.013","","","","has coordinates","209429","2020-10-21","18:00:00",""
"7119352","12.88","0.03","13.13","0.04","15.88","0.04","99.38","0.02","90.29","0.03","101.76","0.06","2592","12","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","2d","","- C47 H43 Ag3 F6 N12 O7 S2 -","- C47 H43 Ag3 F6 N12 O7 S2 -","- C94 H86 Ag6 F12 N24 O14 S4 -","2","1","","Hui; Guo; Xin; He; Chong-Qing; Wan; Liang; Zhao","A stepwise bulk-to-cluster-to-particle transformation toward the efficient synthesis of alkynyl-protected silver nanoclusters","Chem.Commun.","2016","52","","7723","","","","","0.71073","MoKα","","0.0629","0.045","","","0.1079","0.1179","","","","","","1.033","","","","has coordinates","189982","2020-10-21","18:00:00",""
"7119353","11.882","0.003","6.1817","0.0015","15.84","0.004","90","","108.485","0.004","90","","1103.4","0.5","203","2","203","2","","","","","","","","4","P 1 21 1","P 2yb","4","","S8a","","- C24 H27 Br O5 -","- C24 H27 Br O5 -","- C48 H54 Br2 O10 -","2","1","","Liangliang; Song; Lei; Gong; Eric; Meggers","Asymmetric dual catalysis via fragmentation of a single rhodium precursor complex","Chem.Commun.","2016","52","","7699","","","","","0.71073","MoKα","","0.0367","0.0331","","","0.086","0.0871","","","","","","1.013","","","","has coordinates","189983","2020-10-21","18:00:00",""
"7119354","12.6831","0.0005","13.3648","0.0005","25.5629","0.0009","90","","90","","90","","4333.1","0.3","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","Rh-SC-1","","- C43 H44 N3 O5 Rh -","- C43 H44 N3 O5 Rh -","- C172 H176 N12 O20 Rh4 -","4","1","","Liangliang; Song; Lei; Gong; Eric; Meggers","Asymmetric dual catalysis via fragmentation of a single rhodium precursor complex","Chem.Commun.","2016","52","","7699","","","","","0.71073","MoKα","","0.0888","0.0792","","","0.2105","0.2191","","","","","","1.001","","","","has coordinates","189983","2020-10-21","18:00:00",""
"7119355","6.202","","12.159","","30.276","","90","","90","","90","","2283.12","","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","comound 6a'","","- C24 H27 Br O5 -","- C24 H27 Br O5 -","- C96 H108 Br4 O20 -","4","1","","Liangliang; Song; Lei; Gong; Eric; Meggers","Asymmetric dual catalysis via fragmentation of a single rhodium precursor complex","Chem.Commun.","2016","52","","7699","","","","","0.71073","MoKα","","0.0922","0.0601","","","0.1068","0.114","","","","","","1.013","","","","has coordinates","189983","2020-10-21","18:00:00",""
"7119356","17.6","0.03","4.372","0.006","34.3","0.05","90","","97.444","0.015","90","","2617","7","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","4,4'-Bipyridine; 3,5-diiodosalicylic acid","","- C12 H8 I2 N O3 -","- C12 H8 I2 N O3 -","- C96 H64 I16 N8 O24 -","8","1","","Subhankar; Saha; Gautam; R.; Desiraju","Using structural modularity in cocrystals to engineer properties: elasticity","Chem.Commun.","2016","52","","7676","","","","","0.71073","MoKα","","0.0767","0.0667","","","0.1946","0.2213","","","","","","1.137","","","","has coordinates","189984","2020-10-21","18:00:00",""
"7119357","3.795","0.009","14.7","0.03","21.4","0.05","80.7","0.05","89.35","0.06","89.09","0.05","1178","5","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","4,4'-Bipyridine; 3,5-dichlorosalicylic acid","","- C24 H16 Cl4 N2 O6 -","- C24 H16 Cl4 N2 O6 -","- C48 H32 Cl8 N4 O12 -","2","1","","Subhankar; Saha; Gautam; R.; Desiraju","Using structural modularity in cocrystals to engineer properties: elasticity","Chem.Commun.","2016","52","","7676","","","","","0.71073","MoKα","","0.1611","0.0979","","","0.231","0.305","","","","","","1.088","","","","has coordinates","189984","2020-10-21","18:00:00",""
"7119358","4.183","0.003","8.769","0.007","15.366","0.012","94.1","0.03","95.78","0.03","99.68","0.03","550.5","0.7","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","4,4'-Bipyridine; 3,5-dibromophenol","","- C11 H8 Br2 N O -","- C11 H8 Br2 N O -","- C22 H16 Br4 N2 O2 -","2","1","","Subhankar; Saha; Gautam; R.; Desiraju","Using structural modularity in cocrystals to engineer properties: elasticity","Chem.Commun.","2016","52","","7676","","","","","0.71073","MoKα","","0.0695","0.056","","","0.1411","0.189","","","","","","1.15","","","","has coordinates","189984","2020-10-21","18:00:00",""
"7119359","3.777","0.007","10.382","0.017","13.45","0.02","68.43","0.04","85.15","0.06","80.26","0.06","483.3","1.4","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","Pyrazine; 3,5-dichlorosalicylic acid","","- C9 H6 Cl2 N O3 -","- C9 H6 Cl2 N O3 -","- C18 H12 Cl4 N2 O6 -","2","1","","Subhankar; Saha; Gautam; R.; Desiraju","Using structural modularity in cocrystals to engineer properties: elasticity","Chem.Commun.","2016","52","","7676","","","","","0.71073","MoKα","","0.0668","0.0531","","","0.1349","0.1561","","","","","","1.106","","","","has coordinates","189984","2020-10-21","18:00:00",""
"7119360","27.78","0.03","4.706","0.004","17.566","0.016","90","","96.051","0.008","90","","2284","4","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Pyrazine; 3,5-diiodosalicylic acid","","- C9 H6 I2 N O3 -","- C9 H6 I2 N O3 -","- C72 H48 I16 N8 O24 -","8","1","","Subhankar; Saha; Gautam; R.; Desiraju","Using structural modularity in cocrystals to engineer properties: elasticity","Chem.Commun.","2016","52","","7676","","","","","0.71073","MoKα","","0.046","0.0417","","","0.1231","0.1541","","","","","","1.204","","","","has coordinates","189984","2020-10-21","18:00:00",""
"7119361","19.6264","0.0006","52.3974","0.0015","14.3627","0.0004","90","","90.6803","0.0011","90","","14769.2","0.7","93","","93","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C91.75 H99.7 Cl12.48 N14.43 O4.45 Pd6 S0.48 -","- C91.7528 H93.2147 Cl12.4829 N14.4277 O4.4487 Pd6 S0.4829 -","- C367.011 H372.859 Cl49.9316 N57.7108 O17.7948 Pd24 S1.9316 -","4","1","","Shohei; Tashiro; Hirotaka; Yonezawa; Ryou; Kubota; Tsutomu; Umeki; Mitsuhiko; Shionoya","Non-covalent immobilisation of p-toluenesulfonic acid in a porous molecular crystal for size-specific acid-catalysed reactions","Chem.Commun.","2016","52","","7657","","","","","0.71075","MoKα","","0.1446","0.1043","","","0.3119","0.3529","","","","","","1.172","","","","has coordinates","189986","2020-10-21","18:00:00",""
"7119362","19.5796","0.0013","52.142","0.003","14.2469","0.001","90","","91.162","0.002","90","","14541.9","1.6","93","","93","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C43 H52 Cl8 N6 O4 Pd3 -","- C43 H44 Cl8 N6 O4 Pd3 -","- C344 H352 Cl64 N48 O32 Pd24 -","8","2","","Shohei; Tashiro; Hirotaka; Yonezawa; Ryou; Kubota; Tsutomu; Umeki; Mitsuhiko; Shionoya","Non-covalent immobilisation of p-toluenesulfonic acid in a porous molecular crystal for size-specific acid-catalysed reactions","Chem.Commun.","2016","52","","7657","","","","","0.71075","MoKα","","0.189","0.1612","","","0.4245","0.4455","","","","","","1.124","","","","has coordinates","202518","2020-10-21","18:00:00",""
"7119363","19.5493","0.0009","51.784","0.003","14.2759","0.0007","90","","90.7569","0.0014","90","","14450.8","1.3","96","","96","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","sulfonamide_MMF","sulfonamide_MMF","","- C94.65 H105.36 Cl12 N16.29 O3.82 Pd6 S0.41 -","- C94.6499 H98.5318 Cl12 N16.2942 O3.8246 Pd6 S0.4123 -","- C378.6 H394.127 Cl48 N65.1768 O15.2984 Pd24 S1.6492 -","4","1","","Shohei; Tashiro; Hirotaka; Yonezawa; Ryou; Kubota; Tsutomu; Umeki; Mitsuhiko; Shionoya","Non-covalent immobilisation of p-toluenesulfonic acid in a porous molecular crystal for size-specific acid-catalysed reactions","Chem.Commun.","2016","52","","7657","","","","","0.71075","MoKα","","0.1699","0.117","","","0.3281","0.3675","","","","","","1.082","","","","has coordinates","189988","2020-10-21","18:00:00",""
"7119373","10.4816","0.0005","12.7531","0.0005","22.3603","0.001","90","","90","","90","","2989","0.2","120","2","120","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","Sulfapyridine DMSO solvate","","","- C13 H17 N3 O3 S2 -","- C13 H17 N3 O3 S2 -","- C104 H136 N24 O24 S16 -","8","1","","Celia; Ruiz-Palomero; Stuart; R.; Kennedy; M.; Laura; Soriano; Christopher; D.; Jones; Miguel; Valcarcel; Jonathan; W.; Steed","Pharmaceutical crystallization with nanocellulose organogels","Chem.Commun.","2016","52","","7782","","","","","0.71073","MoKα","","0.0565","0.0374","","","0.0877","0.0968","","","","","","1.018","","","","has coordinates","190050","2020-10-21","18:00:00",""
"7119374","5.7565","0.0009","10.7037","0.0016","31.057","0.005","87.126","0.004","85.544","0.004","86.192","0.004","1901.7","0.5","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","Octadecylammonium sulfamethoxazole DMSO solavte","","- C32 H62 N4 O5 S3 -","- C32 H62 N4 O5 S3 -","- C64 H124 N8 O10 S6 -","2","1","","Celia; Ruiz-Palomero; Stuart; R.; Kennedy; M.; Laura; Soriano; Christopher; D.; Jones; Miguel; Valcarcel; Jonathan; W.; Steed","Pharmaceutical crystallization with nanocellulose organogels","Chem.Commun.","2016","52","","7782","","","","","0.71073","MoKα","","0.1754","0.1334","","","0.3087","0.3284","","","","","","1.12","","","","has coordinates","190050","2020-10-21","18:00:00",""
"7119375","5.5517","0.0018","11.006","0.004","24.121","0.008","90","","90","","90","","1473.8","0.9","200","2","200","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C20 H15 N O3 -","- C20 H15 N O3 -","- C80 H60 N4 O12 -","4","1","","Chun-Wei; Kuo; Ashok; Konala; Lyu; Lin; Ting-Ta; Chiang; Chia-Yu; Huang; Tang-Hao; Yang; Veerababurao; Kavala; Ching-Fa; Yao","Synthesis of benzo[a]carbazole derivatives from 3-ethylindoles by exploiting the dual character of benzoquinone as an oxidizing agent and dienophile","Chem.Commun.","2016","52","","7870","","","","","0.71073","MoKα","","0.0903","0.0484","","","0.0951","0.1252","","","","","","1.052","","","","has coordinates","190051","2020-10-21","18:00:00",""
"7119376","37.27","0.02","7.992","0.005","12.774","0.007","90","","91.797","0.012","90","","3803","4","200","2","200","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C25 H19 N O2 -","- C25 H19 N O2 -","- C200 H152 N8 O16 -","8","1","","Chun-Wei; Kuo; Ashok; Konala; Lyu; Lin; Ting-Ta; Chiang; Chia-Yu; Huang; Tang-Hao; Yang; Veerababurao; Kavala; Ching-Fa; Yao","Synthesis of benzo[a]carbazole derivatives from 3-ethylindoles by exploiting the dual character of benzoquinone as an oxidizing agent and dienophile","Chem.Commun.","2016","52","","7870","","","","","0.71073","MoKα","","0.2953","0.1225","","","0.1931","0.2624","","","","","","1.037","","","","has coordinates","190051","2020-10-21","18:00:00",""
"7119377","7.174","0.0007","14.3271","0.0014","17.4194","0.0017","90","","90","","90","","1790.4","0.3","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","3ca'","","- C20 H15 Cl N2 O2 -","- C20 H15 Cl N2 O2 -","- C80 H60 Cl4 N8 O8 -","4","1","","Zhu, Gongming; Yang, Junxian; Bao, Guangjun; Zhang, Ming; Li, Jing; Li, Yiping; Sun, Wangsheng; Hong, Liang; Wang, Rui","Catalyst-controlled switch of regioselectivity in the asymmetric allylic alkylation of oxazolones with MBHCs","Chemical Communications","2016","52","50","7882","7885","10.1039/c6cc03246j","","","0.71073","MoKα","","0.0328","0.028","","","0.0632","0.0661","","","","","","1.004","","","","has coordinates","209430","2020-10-21","18:00:00",""
"7119378","7.1668","0.0004","12.4455","0.0008","21.2096","0.0012","90","","90","","90","","1891.78","0.19","273.77","0.1","273.77","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","SN2","","- C21 H18 Cl N O4 -","- C21 H18 Cl N O4 -","- C84 H72 Cl4 N4 O16 -","4","1","","Zhu, Gongming; Yang, Junxian; Bao, Guangjun; Zhang, Ming; Li, Jing; Li, Yiping; Sun, Wangsheng; Hong, Liang; Wang, Rui","Catalyst-controlled switch of regioselectivity in the asymmetric allylic alkylation of oxazolones with MBHCs","Chemical Communications","2016","52","50","7882","7885","10.1039/c6cc03246j","","x-ray","0.71073","MoKα","","0.0827","0.0538","","","0.0962","0.1143","","","","","","1.025","","","","has coordinates","209430","2020-10-21","18:00:00",""
"7119379","13.8176","0.0006","14.3073","0.0006","16.9982","0.0008","90","","95.502","0.004","90","","3344.9","0.3","173","","173","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C62 H58 Gd2 N8 O20 Zn2 -","- C62 H58 Gd2 N8 O20 Zn2 -","- C124 H116 Gd4 N16 O40 Zn4 -","2","0.5","","Griffiths, Kieran; Kumar, Prashant; Akien, Geoffrey R.; Chilton, Nicholas F.; Abdul-Sada, Alaa; Tizzard, Graham J.; Coles, Simon J.; Kostakis, George E.","Tetranuclear Zn/4f coordination clusters as highly efficient catalysts for Friedel-Crafts alkylation","Chemical Communications","2016","52","50","7866","7869","10.1039/c6cc03608b","","x-ray","1.54184","CuKα","","0.06","0.0541","","","0.1392","0.1485","","","","","","1.055","","","","has coordinates","209431","2020-10-21","18:00:00",""
"7119380","13.75033","0.00018","14.3147","0.0002","16.9418","0.0002","90","","95.2801","0.0012","90","","3320.54","0.07","173","","173","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C62 H58 Dy2 N8 O20 Zn2 -","- C62 H58 Dy2 N8 O20 Zn2 -","- C124 H116 Dy4 N16 O40 Zn4 -","2","0.5","","Griffiths, Kieran; Kumar, Prashant; Akien, Geoffrey R.; Chilton, Nicholas F.; Abdul-Sada, Alaa; Tizzard, Graham J.; Coles, Simon J.; Kostakis, George E.","Tetranuclear Zn/4f coordination clusters as highly efficient catalysts for Friedel-Crafts alkylation","Chemical Communications","2016","52","50","7866","7869","10.1039/c6cc03608b","","x-ray","0.71073","MoKα","","0.0462","0.0367","","","0.0946","0.0992","","","","","","1.064","","","","has coordinates","209431","2020-10-21","18:00:00",""
"7119381","13.7448","0.0006","14.3133","0.0007","16.9268","0.0007","90","","95.068","0.005","90","","3317","0.3","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C62 H58 N8 O20 Y2 Zn2 -","- C62 H58 N8 O20 Y2 Zn2 -","- C124 H116 N16 O40 Y4 Zn4 -","2","0.5","","Griffiths, Kieran; Kumar, Prashant; Akien, Geoffrey R.; Chilton, Nicholas F.; Abdul-Sada, Alaa; Tizzard, Graham J.; Coles, Simon J.; Kostakis, George E.","Tetranuclear Zn/4f coordination clusters as highly efficient catalysts for Friedel-Crafts alkylation","Chemical Communications","2016","52","50","7866","7869","10.1039/c6cc03608b","","x-ray","0.71073","MoKα","","0.0791","0.0558","","","0.1467","0.1627","","","","","","1.162","","","","has coordinates","209431","2020-10-21","18:00:00",""
"7119382","13.8125","0.0004","14.3087","0.0005","16.9783","0.0005","90","","95.498","0.003","90","","3340.14","0.18","173","","173","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C62 H58 Eu2 N8 O20 Zn2 -","- C62 H58 Eu2 N8 O20 Zn2 -","- C124 H116 Eu4 N16 O40 Zn4 -","2","0.5","","Griffiths, Kieran; Kumar, Prashant; Akien, Geoffrey R.; Chilton, Nicholas F.; Abdul-Sada, Alaa; Tizzard, Graham J.; Coles, Simon J.; Kostakis, George E.","Tetranuclear Zn/4f coordination clusters as highly efficient catalysts for Friedel-Crafts alkylation","Chemical Communications","2016","52","50","7866","7869","10.1039/c6cc03608b","","x-ray","1.54184","CuKα","","0.05","0.0452","","","0.1113","0.1176","","","","","","1.03","","","","has coordinates","209431","2020-10-21","18:00:00",""
"7119383","10.0681","0.0007","9.7551","0.0007","17.5082","0.0011","90","","94.291","0.006","90","","1714.8","0.2","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C23 H18 N2 -","- C23 H18 N2 -","- C92 H72 N8 -","4","1","","Griffiths, Kieran; Kumar, Prashant; Akien, Geoffrey R.; Chilton, Nicholas F.; Abdul-Sada, Alaa; Tizzard, Graham J.; Coles, Simon J.; Kostakis, George E.","Tetranuclear Zn/4f coordination clusters as highly efficient catalysts for Friedel-Crafts alkylation","Chemical Communications","2016","52","50","7866","7869","10.1039/c6cc03608b","","x-ray","0.6889","","","0.1319","0.0626","","","0.1375","0.1681","","","","","","1.033","","","","has coordinates","209431","2020-10-21","18:00:00",""
"7119384","9.9468","0.0004","10.285","0.0005","11.5735","0.0005","75.327","0.004","82.383","0.004","81.347","0.004","1126.82","0.09","100","","100","","","","","","","","","4","P -1","-P 1","2","","","","- C29 H24 N2 O2 -","- C29 H24 N2 O2 -","- C58 H48 N4 O4 -","2","1","","Griffiths, Kieran; Kumar, Prashant; Akien, Geoffrey R.; Chilton, Nicholas F.; Abdul-Sada, Alaa; Tizzard, Graham J.; Coles, Simon J.; Kostakis, George E.","Tetranuclear Zn/4f coordination clusters as highly efficient catalysts for Friedel-Crafts alkylation","Chemical Communications","2016","52","50","7866","7869","10.1039/c6cc03608b","","x-ray","0.71073","MoKα","","0.0788","0.0558","","","0.1337","0.1463","","","","","","1.045","","","","has coordinates","209431","2020-10-21","18:00:00",""
"7119385","8.8491","0.0005","10.6531","0.0007","20.9154","0.0013","90","","96.794","0.006","90","","1957.9","0.2","173","","173","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C23 H20 N2 O3 -","- C23 H20 N2 O3 -","- C92 H80 N8 O12 -","4","1","","Griffiths, Kieran; Kumar, Prashant; Akien, Geoffrey R.; Chilton, Nicholas F.; Abdul-Sada, Alaa; Tizzard, Graham J.; Coles, Simon J.; Kostakis, George E.","Tetranuclear Zn/4f coordination clusters as highly efficient catalysts for Friedel-Crafts alkylation","Chemical Communications","2016","52","50","7866","7869","10.1039/c6cc03608b","","x-ray","0.71073","MoKα","","0.1108","0.0696","","","0.1801","0.2212","","","","","","1.023","","","","has coordinates","209431","2020-10-21","18:00:00",""
"7119386","18.3322","0.0016","10.0821","0.0006","20.0451","0.001","90","","90.573","0.006","90","","3704.7","0.4","100","2","100","2","","","","","","","","3","I 1 2/a 1","-I 2ya","15","","","","- C25 H22 N2 -","- C25 H22 N2 -","- C200 H176 N16 -","8","1","","Griffiths, Kieran; Kumar, Prashant; Akien, Geoffrey R.; Chilton, Nicholas F.; Abdul-Sada, Alaa; Tizzard, Graham J.; Coles, Simon J.; Kostakis, George E.","Tetranuclear Zn/4f coordination clusters as highly efficient catalysts for Friedel-Crafts alkylation","Chemical Communications","2016","52","50","7866","7869","10.1039/c6cc03608b","","x-ray","0.71075","MoKα","","0.1149","0.0575","","","0.1015","0.1202","","","","","","1.032","","","","has coordinates","209431","2020-10-21","18:00:00",""
"7119387","29.983","0.002","29.983","0.002","29.983","0.002","90","","90","","90","","26954","3","250","2","250","2","","","","","","","","5","F m -3 m","-F 4 2 3","225","","UBMOF-8","","- C96 H92 N12 O32 Zr6 -","- C96 H84 N12 O32 Zr6 -","- C384 H336 N48 O128 Zr24 -","4","0.0208333","","Naeem, Ayesha; Ting, Valeska P.; Hintermair, Ulrich; Tian, Mi; Telford, Richard; Halim, Saaiba; Nowell, Harriott; Hołyńska, Małgorzata; Teat, Simon J.; Scowen, Ian J.; Nayak, Sanjit","Mixed-linker approach in designing porous zirconium-based metal‒organic frameworks with high hydrogen storage capacity","Chemical Communications","2016","52","50","7826","7829","10.1039/c6cc03787a","","","0.7749","synchrotron","","0.0578","0.0559","","","0.1795","0.182","","","","","","1.016","","","","has coordinates,has disorder","209432","2020-10-21","18:00:00",""
"7119388","29.941","0.001","29.941","0.001","29.941","0.001","90","","90","","90","","26841","1.6","250","2","250","2","","","","","","","","4","F m -3 m","-F 4 2 3","225","","UBMOF-9","","- C96 H80 O32 Zr6 -","- C96 H60 O32 Zr6 -","- C384 H240 O128 Zr24 -","4","0.0208333","","Naeem, Ayesha; Ting, Valeska P.; Hintermair, Ulrich; Tian, Mi; Telford, Richard; Halim, Saaiba; Nowell, Harriott; Hołyńska, Małgorzata; Teat, Simon J.; Scowen, Ian J.; Nayak, Sanjit","Mixed-linker approach in designing porous zirconium-based metal‒organic frameworks with high hydrogen storage capacity","Chemical Communications","2016","52","50","7826","7829","10.1039/c6cc03787a","","","0.7749","synchrotron","","0.0578","0.0549","","","0.1589","0.1635","","","","","","1.016","","","","has coordinates,has disorder","209432","2020-10-21","18:00:00",""
"7119389","9.4771","0.0005","16.9192","0.0009","25.2949","0.0014","90","","92.298","0.003","90","","4052.6","0.4","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C36 H36 Cl6 Ge3 N4 -","- C36 H36 Cl6 Ge3 N4 -","- C144 H144 Cl24 Ge12 N16 -","4","1","","Swamy, V. S. V. S. N.; Yadav, Sandeep; Pal, Shiv; Das, Tamal; Vanka, Kumar; Sen, Sakya S.","Facile access to a Ge(II) dication stabilized by isocyanides","Chemical Communications","2016","52","50","7890","7892","10.1039/c6cc03789e","","","0.71073","MoKα","","0.0634","0.0409","","","0.091","0.1005","","","","","","1.065","","","","has coordinates,has disorder","209433","2020-10-21","18:00:00",""
"7119440","9.477","0.005","15.308","0.008","21.114","0.011","90","","102.525","0.01","90","","2990","3","100","","100","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C29 H36 Br F3 N O3 P -","- C29 H36 Br F3 N O3 P -","- C116 H144 Br4 F12 N4 O12 P4 -","4","1","","Ryosuke; Saijo; Hidemitsu; Uno; Shigeki; Mori; Masami; Kawase","Synthesis and structures of stable phosphorus zwitterions derived from mesoionic 4_trifluoroacetyl-1,3-oxazolium-5-olates","Chem.Commun.","2016","52","","8006","","","","","0.71075","MoKα","","0.0874","0.0717","","","0.1832","0.1968","","","","","","1.167","","","","has coordinates","190511","2020-10-21","18:00:00",""
"7119441","25.9455","0.0003","25.9455","0.0003","24.2457","0.0002","90","","90","","90","","16321.5","0.3","153","","153","","","","","","","","","5","P 4/n c c","-P 4a 2ac","130","","SPA/TPMA/DCB","","- C39 H31 N O3 S -","- C39 H31 N O3 S -","- C624 H496 N16 O48 S16 -","16","","","Tetsuya; Hasegawa; Kei; Ohkubo; Ichiro; Hisaki; Mikiji; Miyata; Norimitsu; Tohnai; Shunichi; Fukuzumi","Photoinduced electron transfer in porous organic salt crystals impregnated with fullerenes","Chem.Commun.","2016","52","","7928","","","","","0.75","synchrotron","","0.0842","0.0603","","","0.1808","0.1965","","","","","","1.084","","","","has coordinates","190512","2020-10-21","18:00:00",""
"7119442","26.7747","0.0001","26.7747","0.0001","24.0725","0.0001","90","","90","","90","","17257.2","0.12","153","","153","","","","","","","","","5","P 4/n c c","-P 4a 2ac","130","","SPA/TPMA/C60","","- C60 H45 N O3 S -","- C60 H45 N O3 S -","- C960 H720 N16 O48 S16 -","16","","","Tetsuya; Hasegawa; Kei; Ohkubo; Ichiro; Hisaki; Mikiji; Miyata; Norimitsu; Tohnai; Shunichi; Fukuzumi","Photoinduced electron transfer in porous organic salt crystals impregnated with fullerenes","Chem.Commun.","2016","52","","7928","","","","","0.8","synchrotron","","0.1327","0.1138","","","0.348","0.3735","","","","","","1.58","","","","has coordinates,has disorder","190512","2020-10-21","18:00:00",""
"7119443","27.3864","0.001","27.3864","0.001","24.2386","0.0005","90","","90","","90","","18179.3","1","153","","153","","","","","","","","","5","P 4/n c c","-P 4a 2ac","130","","SPA/TPMA/C70","","- C62.5 H45 N O3 S -","- C62.5 H45 N O3 S -","- C1000 H720 N16 O48 S16 -","16","","","Tetsuya; Hasegawa; Kei; Ohkubo; Ichiro; Hisaki; Mikiji; Miyata; Norimitsu; Tohnai; Shunichi; Fukuzumi","Photoinduced electron transfer in porous organic salt crystals impregnated with fullerenes","Chem.Commun.","2016","52","","7928","","","","","0.8","synchrotron","","0.3169","0.1293","","","0.3439","0.4357","","","","","","1.19","","","","has coordinates,has disorder","190512","2020-10-21","18:00:00",""
"7119444","6.0426","0.001","12.222","0.002","15.374","0.003","78.111","0.002","79.431","0.002","87.801","0.002","1092.2","0.3","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H18 F2 N2 O4 -","- C26 H18 F2 N2 O4 -","- C52 H36 F4 N4 O8 -","2","1","","Xu, Hui; Zhou, Bei; Zhou, Pan; Zhou, Jie; Shen, Yuehai; Yu, Fu-Chao; Lu, Ling-Ling","Insights into the unexpected chemoselectivity in Brønsted acid catalyzed cyclization of isatins with enaminones: convenient synthesis of pyrrolo[3,4-c]quinolin-1-ones and spirooxindoles","Chemical Communications (Cambridge, United Kingdom)","2016","52","51","8002","8005","10.1039/c6cc02659a","","","0.71073","MoKα","","0.1311","0.0556","","","0.1383","0.1826","","","","","","0.986","","","","has coordinates","209519","2020-10-21","18:00:00",""
"7119445","6.522","0.003","19.035","0.008","20.25","0.008","90","","92.66","0.006","90","","2511.3","1.9","293","2","293","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C31 H21 F N4 O4 -","- C31 H21 F N4 O4 -","- C124 H84 F4 N16 O16 -","4","1","","Xu, Hui; Zhou, Bei; Zhou, Pan; Zhou, Jie; Shen, Yuehai; Yu, Fu-Chao; Lu, Ling-Ling","Insights into the unexpected chemoselectivity in Brønsted acid catalyzed cyclization of isatins with enaminones: convenient synthesis of pyrrolo[3,4-c]quinolin-1-ones and spirooxindoles","Chemical Communications (Cambridge, United Kingdom)","2016","52","51","8002","8005","10.1039/c6cc02659a","","","0.71073","MoKα","","0.1205","0.0554","","","0.1024","0.1328","","","","","","0.987","","","","has coordinates","209519","2020-10-21","18:00:00",""
"7119446","20.6432","0.0017","12.1018","0.0009","12.8802","0.0011","90","","110.019","0.003","90","","3023.3","0.4","110","2","110","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C26 H28 F12 N6 P2 Ru -","- C26 H28 F12 N6 P2 Ru -","- C104 H112 F48 N24 P8 Ru4 -","4","0.5","","Yanay; Popowski; Israel; Goldberg; Moshe; Kol","The stereoselectivity of bipyrrolidine-based sequential polydentate ligands around Ru(II)","Chem.Commun.","2016","52","","7932","","","","","0.71073","MoKα","","0.0355","0.0304","","","0.0737","0.0838","","","","","","1.398","","","","has coordinates","190514","2020-10-21","18:00:00",""
"7119447","25.132","0.002","9.8199","0.0007","17.2577","0.0016","90","","131.012","0.005","90","","3213.8","0.5","110","2","110","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C30 H32 F12 N6 P2 Ru -","- C30 H32 F12 N6 P2 Ru -","- C120 H128 F48 N24 P8 Ru4 -","4","1","","Yanay; Popowski; Israel; Goldberg; Moshe; Kol","The stereoselectivity of bipyrrolidine-based sequential polydentate ligands around Ru(II)","Chem.Commun.","2016","52","","7932","","","","","0.71073","MoKα","","0.0685","0.0611","","","0.1538","0.16","","","","","","1.036","","","","has coordinates","190514","2020-10-21","18:00:00",""
"7119448","10.2422","0.0002","10.2422","0.0002","24.9887","0.0006","90","","90","","120","","2270.18","0.08","110","2","110","2","","","","","","","","6","P 31 2 1","P 31 2""","152","","","","- C24 H32 F12 N6 P2 Ru -","- C24 H32 F12 N6 P2 Ru -","- C72 H96 F36 N18 P6 Ru3 -","3","0.5","","Yanay; Popowski; Israel; Goldberg; Moshe; Kol","The stereoselectivity of bipyrrolidine-based sequential polydentate ligands around Ru(II)","Chem.Commun.","2016","52","","7932","","","","","0.71073","MoKα","","0.0199","0.0196","","","0.0474","0.0476","","","","","","1.071","","","","has coordinates","190514","2020-10-21","18:00:00",""
"7119449","10.1753","0.001","16.8389","0.0017","9.2498","0.0009","90","","112.218","0.003","90","","1467.2","0.3","110","2","110","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C25 H29 Cl F12 Fe N5 P2 -","- C25 H29 Cl F12 Fe N5 P2 -","- C50 H58 Cl2 F24 Fe2 N10 P4 -","2","1","","Yanay; Popowski; Israel; Goldberg; Moshe; Kol","The stereoselectivity of bipyrrolidine-based sequential polydentate ligands around Ru(II)","Chem.Commun.","2016","52","","7932","","","","","0.71073","MoKα","","0.045","0.041","","","0.1053","0.1078","","","","","","1.039","","","","has coordinates","190514","2020-10-21","18:00:00",""
"7119450","14.515","0.005","14.999","0.005","15.692","0.005","90","","96.15","0.005","90","","3397","2","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","{[RuIII(bda)(pic)2(?-O)]2RuIV(pic)2(H2O)2}2+","","- C60 H74 B2 F8 N10 O20 Ru3 -","- C60 H58 B2 F8 N10 O18.614 Ru3 -","- C120 H116 B4 F16 N20 O37.228 Ru6 -","2","0.5","","Yuta; Tsubonouchi; Shu; Lin; Alexander; R.; Parent; Gary; W.; Brudvig; Ken; Sakai","Light-induced water oxidation catalyzed by an oxido-bridged triruthenium complex with a Ru-O-Ru-O-Ru motif","Chem.Commun.","2016","52","","8018","","","","","0.71073","MoKα","","0.064","0.0412","","","0.0886","0.0979","","","","","","1.019","","","","has coordinates,has disorder","190515","2020-10-21","18:00:00",""
"7119451","15.229","0.003","17.001","0.003","17.204","0.003","65.62","0.03","84.91","0.03","71.63","0.03","3845.9","1.7","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","{[Ru3.5(bda)(pic)2(?-O)]2RuIV(pic)2(H2O)2}2+","","- C60 H82 B F4 N10 O32 Ru3 S2 -","- C60 H64 B F4 N10 O32 Ru3 S2 -","- C120 H128 B2 F8 N20 O64 Ru6 S4 -","2","1","","Yuta; Tsubonouchi; Shu; Lin; Alexander; R.; Parent; Gary; W.; Brudvig; Ken; Sakai","Light-induced water oxidation catalyzed by an oxido-bridged triruthenium complex with a Ru-O-Ru-O-Ru motif","Chem.Commun.","2016","52","","8018","","","","","0.71073","MoKα","","0.0871","0.0598","","","0.1511","0.1657","","","","","","1.086","","","","has coordinates","190515","2020-10-21","18:00:00",""
"7119452","15.9788","0.0009","16.3669","0.0009","29.5491","0.0012","78.976","0.004","80.628","0.004","61.755","0.006","6658.6","0.7","102","3","102","3","","","","","","","","9","P -1","-P 1","2","","","","- C111 H98 Ag2 Au6 B4 F16 N6 O17 P6 -","- C111 H84 Ag2 Au6 B4 F16 N6 O17 P6 -","- C222 H168 Ag4 Au12 B8 F32 N12 O34 P12 -","2","1","","Liu, Xiao-Yun; Yang, Yang; Lei, Zhen; Guan, Zong-Jie; Wang, Quan-Ming","Luminescence responsive intracluster rearrangements of gold(I)-silver(I) clusters triggered by acetonitrile","Chemical Communications (Cambridge, United Kingdom)","2016","52","51","8022","8025","10.1039/c6cc02873j","","","0.71073","MoKα","","0.1069","0.0801","","","0.2243","0.2524","","","","","","1.043","","","","has coordinates","209520","2020-10-21","18:00:00",""
"7119453","23.7002","0.0005","23.7002","0.0005","49.407","0.003","90","","90","","120","","24033.8","1.6","102","3","102","3","","","","","","","","9","R -3 c","-R 3 2""c","167","","","","- C121 H102 Ag2 Au6 B4 F16 N12 O12 P6 -","- C125.5 H84 Ag2 Au6 N15 O12 P6 -","- C753 H504 Ag12 Au36 N90 O72 P36 -","6","","","Liu, Xiao-Yun; Yang, Yang; Lei, Zhen; Guan, Zong-Jie; Wang, Quan-Ming","Luminescence responsive intracluster rearrangements of gold(I)-silver(I) clusters triggered by acetonitrile","Chemical Communications (Cambridge, United Kingdom)","2016","52","51","8022","8025","10.1039/c6cc02873j","","","1.54178","CuKα","","0.0695","0.0568","","","0.1531","0.1696","","","","","","1.074","","","","has coordinates","209520","2020-10-21","18:00:00",""
"7119454","14.5436","0.0002","14.5436","0.0002","29.1864","0.0009","90","","90","","90","","6173.4","0.2","293","2","293","2","","","","","","","","5","P 41 21 2","P 4abw 2nw","92","","","","- C36 H26 Cd N2 O4 -","- C36 H26 Cd N2 O4 -","- C288 H208 Cd8 N16 O32 -","8","1","","Hu, Fei-Long; Wang, Hui-Fang; Guo, Dong; Zhang, Hui; Lang, Jian-Ping; Beves, Jonathon E.","Controlled formation of chiral networks and their reversible chiroptical switching behaviour by UV/microwave irradiation","Chemical Communications","2016","52","51","7990","7993","10.1039/c6cc03256g","","","0.71073","MoKα","","0.0465","0.0359","","","0.0689","0.0733","","","","","","1.042","","","","has coordinates,has disorder","204130","2020-10-21","18:00:00",""
"7119455","14.573","0.003","14.573","0.003","28.941","0.011","90","","90","","90","","6146","3","296","2","296","2","","","","","","","","5","P 43 21 2","P 4nw 2abw","96","","","","- C36 H25 Cd N2 O4 -","- C36 H25 Cd N2 O4 -","- C288 H200 Cd8 N16 O32 -","8","1","","Hu, Fei-Long; Wang, Hui-Fang; Guo, Dong; Zhang, Hui; Lang, Jian-Ping; Beves, Jonathon E.","Controlled formation of chiral networks and their reversible chiroptical switching behaviour by UV/microwave irradiation","Chemical Communications","2016","52","51","7990","7993","10.1039/c6cc03256g","","","0.71073","MoKα","","0.0827","0.0543","","","0.1141","0.1276","","","","","","1.106","","","","has coordinates,has disorder","204130","2020-10-21","18:00:00",""
"7119456","14.523","0.0002","14.523","0.0002","29.1177","0.0008","90","","90","","90","","6141.4","0.2","293","2","293","2","","","","","","","","5","P 43 21 2","P 4nw 2abw","96","","","","- C36 H26 Cd N2 O4 -","- C36 H26 Cd N2 O4 -","- C288 H208 Cd8 N16 O32 -","8","1","","Hu, Fei-Long; Wang, Hui-Fang; Guo, Dong; Zhang, Hui; Lang, Jian-Ping; Beves, Jonathon E.","Controlled formation of chiral networks and their reversible chiroptical switching behaviour by UV/microwave irradiation","Chemical Communications","2016","52","51","7990","7993","10.1039/c6cc03256g","","","0.71073","MoKα","","0.0623","0.0543","","","0.1226","0.1264","","","","","","1.149","","","","has coordinates,has disorder","204130","2020-10-21","18:00:00",""
"7119457","14.3555","0.0003","14.3555","0.0003","29.4087","0.0014","90","","90","","90","","6060.6","0.3","296","2","296","2","","","","","","","","5","P 43 21 2","P 4nw 2abw","96","","","","- C36 H24 Cd N2 O4 -","- C36 H24 Cd N2 O4 -","- C288 H192 Cd8 N16 O32 -","8","1","","Hu, Fei-Long; Wang, Hui-Fang; Guo, Dong; Zhang, Hui; Lang, Jian-Ping; Beves, Jonathon E.","Controlled formation of chiral networks and their reversible chiroptical switching behaviour by UV/microwave irradiation","Chemical Communications","2016","52","51","7990","7993","10.1039/c6cc03256g","","","0.71073","MoKα","","0.0393","0.0355","","","0.0874","0.0907","","","","","","1.018","","","","has coordinates","204130","2020-10-21","18:00:00",""
"7119458","14.5029","0.0003","14.5029","0.0003","29.2053","0.0013","90","","90","","90","","6142.9","0.3","296","2","296","2","","","","","","","","5","P 41 21 2","P 4abw 2nw","92","","","","- C36 H26 Cd N2 O4 -","- C36 H26 Cd N2 O4 -","- C288 H208 Cd8 N16 O32 -","8","1","","Hu, Fei-Long; Wang, Hui-Fang; Guo, Dong; Zhang, Hui; Lang, Jian-Ping; Beves, Jonathon E.","Controlled formation of chiral networks and their reversible chiroptical switching behaviour by UV/microwave irradiation","Chemical Communications","2016","52","51","7990","7993","10.1039/c6cc03256g","","","0.71073","MoKα","","0.0356","0.0324","","","0.0804","0.0827","","","","","","1.095","","","","has coordinates,has disorder","204130","2020-10-21","18:00:00",""
"7119459","14.3664","0.0007","14.3664","0.0007","29.399","0.003","90","","90","","90","","6067.8","0.7","296","2","296","2","","","","","","","","5","P 41 21 2","P 4abw 2nw","92","","","","- C36 H24 Cd N2 O4 -","- C36 H24 Cd N2 O4 -","- C288 H192 Cd8 N16 O32 -","8","1","","Hu, Fei-Long; Wang, Hui-Fang; Guo, Dong; Zhang, Hui; Lang, Jian-Ping; Beves, Jonathon E.","Controlled formation of chiral networks and their reversible chiroptical switching behaviour by UV/microwave irradiation","Chemical Communications","2016","52","51","7990","7993","10.1039/c6cc03256g","","","0.71073","MoKα","","0.0449","0.0402","","","0.101","0.1039","","","","","","1.084","","","","has coordinates","204130","2020-10-21","18:00:00",""
"7119460","14.5318","0.0004","14.5318","0.0004","29.1429","0.0015","90","","90","","90","","6154.2","0.4","296","2","296","2","","","","","","","","5","P 43 21 2","P 4nw 2abw","96","","","","- C36 H26 Cd N2 O4 -","- C36 H26 Cd N2 O4 -","- C288 H208 Cd8 N16 O32 -","8","1","","Hu, Fei-Long; Wang, Hui-Fang; Guo, Dong; Zhang, Hui; Lang, Jian-Ping; Beves, Jonathon E.","Controlled formation of chiral networks and their reversible chiroptical switching behaviour by UV/microwave irradiation","Chemical Communications","2016","52","51","7990","7993","10.1039/c6cc03256g","","","0.71073","MoKα","","0.045","0.0366","","","0.0842","0.0879","","","","","","1.061","","","","has coordinates,has disorder","204131","2020-10-21","18:00:00",""
"7119461","14.5128","0.0014","14.5128","0.0014","29.194","0.004","90","","90","","90","","6148.9","1.2","296","2","296","2","","","","","","","","5","P 41 21 2","P 4abw 2nw","92","","","","- C36 H26 Cd N2 O4 -","- C36 H26 Cd N2 O4 -","- C288 H208 Cd8 N16 O32 -","8","1","","Hu, Fei-Long; Wang, Hui-Fang; Guo, Dong; Zhang, Hui; Lang, Jian-Ping; Beves, Jonathon E.","Controlled formation of chiral networks and their reversible chiroptical switching behaviour by UV/microwave irradiation","Chemical Communications","2016","52","51","7990","7993","10.1039/c6cc03256g","","","0.71073","MoKα","","0.0439","0.0394","","","0.1011","0.1045","","","","","","1.106","","","","has coordinates,has disorder","204130","2020-10-21","18:00:00",""
"7119462","14.4791","0.0005","14.4791","0.0005","29.069","0.002","90","","90","","90","","6094.2","0.5","296","2","296","2","","","","","","","","5","P 43 21 2","P 4nw 2abw","96","","","","- C36 H26 Cd N2 O4 -","- C36 H26 Cd N2 O4 -","- C288 H208 Cd8 N16 O32 -","8","1","","Hu, Fei-Long; Wang, Hui-Fang; Guo, Dong; Zhang, Hui; Lang, Jian-Ping; Beves, Jonathon E.","Controlled formation of chiral networks and their reversible chiroptical switching behaviour by UV/microwave irradiation","Chemical Communications","2016","52","51","7990","7993","10.1039/c6cc03256g","","","0.71073","MoKα","","0.0515","0.0402","","","0.0902","0.095","","","","","","1.072","","","","has coordinates,has disorder","204130","2020-10-21","18:00:00",""
"7119463","14.4739","0.0003","14.4739","0.0003","29.0695","0.0012","90","","90","","90","","6089.9","0.3","296","2","296","2","","","","","","","","5","P 43 21 2","P 4nw 2abw","96","","","","- C36 H26 Cd N2 O4 -","- C36 H26 Cd N2 O4 -","- C288 H208 Cd8 N16 O32 -","8","1","","Hu, Fei-Long; Wang, Hui-Fang; Guo, Dong; Zhang, Hui; Lang, Jian-Ping; Beves, Jonathon E.","Controlled formation of chiral networks and their reversible chiroptical switching behaviour by UV/microwave irradiation","Chemical Communications","2016","52","51","7990","7993","10.1039/c6cc03256g","","","0.71073","MoKα","","0.0661","0.0543","","","0.1292","0.1354","","","","","","1.098","","","","has coordinates,has disorder","204130","2020-10-21","18:00:00",""
"7119464","14.4958","0.0003","14.4958","0.0003","29.0361","0.0015","90","","90","","90","","6101.3","0.4","296","2","296","2","","","","","","","","5","P 43 21 2","P 4nw 2abw","96","","","","- C36 H26 Cd N2 O4 -","- C36 H26 Cd N2 O4 -","- C288 H208 Cd8 N16 O32 -","8","1","","Hu, Fei-Long; Wang, Hui-Fang; Guo, Dong; Zhang, Hui; Lang, Jian-Ping; Beves, Jonathon E.","Controlled formation of chiral networks and their reversible chiroptical switching behaviour by UV/microwave irradiation","Chemical Communications","2016","52","51","7990","7993","10.1039/c6cc03256g","","","0.71073","MoKα","","0.1133","0.0933","","","0.2163","0.2252","","","","","","1.207","","","","has coordinates,has disorder","204130","2020-10-21","18:00:00",""
"7119465","14.5294","0.0003","14.5294","0.0003","29.1842","0.0016","90","","90","","90","","6160.9","0.4","296","2","296","2","","","","","","","","5","P 43 21 2","P 4nw 2abw","96","","","","- C36 H26 Cd N2 O4 -","- C36 H26 Cd N2 O4 -","- C288 H208 Cd8 N16 O32 -","8","1","","Hu, Fei-Long; Wang, Hui-Fang; Guo, Dong; Zhang, Hui; Lang, Jian-Ping; Beves, Jonathon E.","Controlled formation of chiral networks and their reversible chiroptical switching behaviour by UV/microwave irradiation","Chemical Communications","2016","52","51","7990","7993","10.1039/c6cc03256g","","","0.71073","MoKα","","0.1112","0.0956","","","0.2184","0.2303","","","","","","1.071","","","","has coordinates,has disorder","204130","2020-10-21","18:00:00",""
"7119466","14.4838","0.0003","14.4838","0.0003","29.2182","0.0011","90","","90","","90","","6129.4","0.3","293","2","293","2","","","","","","","","5","P 41 21 2","P 4abw 2nw","92","","","","- C36 H26 Cd N2 O4 -","- C36 H26 Cd N2 O4 -","- C288 H208 Cd8 N16 O32 -","8","1","","Hu, Fei-Long; Wang, Hui-Fang; Guo, Dong; Zhang, Hui; Lang, Jian-Ping; Beves, Jonathon E.","Controlled formation of chiral networks and their reversible chiroptical switching behaviour by UV/microwave irradiation","Chemical Communications","2016","52","51","7990","7993","10.1039/c6cc03256g","","","0.71073","MoKα","","0.0929","0.0694","","","0.1574","0.174","","","","","","1.094","","","","has coordinates,has disorder","204130","2020-10-21","18:00:00",""
"7119467","14.4458","0.0004","14.4458","0.0004","29.3447","0.0013","90","","90","","90","","6123.7","0.4","293","2","293","2","","","","","","","","5","P 41 21 2","P 4abw 2nw","92","","","","- C36 H26 Cd N2 O4 -","- C36 H26 Cd N2 O4 -","- C288 H208 Cd8 N16 O32 -","8","1","","Hu, Fei-Long; Wang, Hui-Fang; Guo, Dong; Zhang, Hui; Lang, Jian-Ping; Beves, Jonathon E.","Controlled formation of chiral networks and their reversible chiroptical switching behaviour by UV/microwave irradiation","Chemical Communications","2016","52","51","7990","7993","10.1039/c6cc03256g","","","1.54178","CuKα","","0.15","0.069","","","0.1267","0.1765","","","","","","1.026","","","","has coordinates,has disorder","204130","2020-10-21","18:00:00",""
"7119468","14.4171","0.0003","14.4171","0.0003","29.1929","0.0014","90","","90","","90","","6067.8","0.3","296","2","296","2","","","","","","","","5","P 41 21 2","P 4abw 2nw","92","","","","- C36 H26 Cd N2 O4 -","- C36 H26 Cd N2 O4 -","- C288 H208 Cd8 N16 O32 -","8","1","","Hu, Fei-Long; Wang, Hui-Fang; Guo, Dong; Zhang, Hui; Lang, Jian-Ping; Beves, Jonathon E.","Controlled formation of chiral networks and their reversible chiroptical switching behaviour by UV/microwave irradiation","Chemical Communications","2016","52","51","7990","7993","10.1039/c6cc03256g","","","0.71073","MoKα","","0.0998","0.0689","","","0.1519","0.1653","","","","","","1.057","","","","has coordinates,has disorder","204130","2020-10-21","18:00:00",""
"7119469","14.5097","0.0003","14.5097","0.0003","28.8452","0.0014","90","","90","","90","","6072.8","0.3","273","2","273","2","","","","","","","","5","P 41 21 2","P 4abw 2nw","92","","","","- C36 H26 Cd N2 O4 -","- C36 H26 Cd N2 O4 -","- C288 H208 Cd8 N16 O32 -","8","1","","Hu, Fei-Long; Wang, Hui-Fang; Guo, Dong; Zhang, Hui; Lang, Jian-Ping; Beves, Jonathon E.","Controlled formation of chiral networks and their reversible chiroptical switching behaviour by UV/microwave irradiation","Chemical Communications","2016","52","51","7990","7993","10.1039/c6cc03256g","","","0.71073","MoKα","","0.0837","0.0649","","","0.1491","0.159","","","","","","1.035","","","","has coordinates,has disorder","204130","2020-10-21","18:00:00",""
"7119470","14.5222","0.0009","14.5222","0.0009","29.245","0.003","90","","90","","90","","6167.6","0.8","296","2","296","2","","","","","","","","5","P 41 21 2","P 4abw 2nw","92","","","","- C36 H26 Cd N2 O4 -","- C36 H26 Cd N2 O4 -","- C288 H208 Cd8 N16 O32 -","8","1","","Hu, Fei-Long; Wang, Hui-Fang; Guo, Dong; Zhang, Hui; Lang, Jian-Ping; Beves, Jonathon E.","Controlled formation of chiral networks and their reversible chiroptical switching behaviour by UV/microwave irradiation","Chemical Communications","2016","52","51","7990","7993","10.1039/c6cc03256g","","","0.71073","MoKα","","0.1592","0.0771","","","0.1551","0.1865","","","","","","1.082","","","","has coordinates","204130","2020-10-21","18:00:00",""
"7119471","14.5387","0.0016","14.5387","0.0016","29.246","0.006","90","","90","","90","","6181.8","1.6","296","2","296","2","","","","","","","","5","P 41 21 2","P 4abw 2nw","92","","","","- C36 H26 Cd N2 O4 -","- C36 H26 Cd N2 O4 -","- C288 H208 Cd8 N16 O32 -","8","1","","Hu, Fei-Long; Wang, Hui-Fang; Guo, Dong; Zhang, Hui; Lang, Jian-Ping; Beves, Jonathon E.","Controlled formation of chiral networks and their reversible chiroptical switching behaviour by UV/microwave irradiation","Chemical Communications","2016","52","51","7990","7993","10.1039/c6cc03256g","","","0.71073","MoKα","","0.1515","0.0913","","","0.1822","0.2058","","","","","","1.154","","","","has coordinates,has disorder","204130","2020-10-21","18:00:00",""
"7119472","14.5486","0.0002","14.5486","0.0002","29.1966","0.0011","90","","90","","90","","6179.8","0.3","293","2","293","2","","","","","","","","5","P 43 21 2","P 4nw 2abw","96","","","","- C36 H26 Cd N2 O4 -","- C36 H26 Cd N2 O4 -","- C288 H208 Cd8 N16 O32 -","8","1","","Hu, Fei-Long; Wang, Hui-Fang; Guo, Dong; Zhang, Hui; Lang, Jian-Ping; Beves, Jonathon E.","Controlled formation of chiral networks and their reversible chiroptical switching behaviour by UV/microwave irradiation","Chemical Communications","2016","52","51","7990","7993","10.1039/c6cc03256g","","","0.71073","MoKα","","0.0957","0.0862","","","0.1888","0.1943","","","","","","1.142","","","","has coordinates,has disorder","204130","2020-10-21","18:00:00",""
"7119473","14.486","0.0008","14.486","0.0008","28.911","0.003","90","","90","","90","","6066.8","0.8","273","2","273","2","","","","","","","","5","P 43 21 2","P 4nw 2abw","96","","","","- C36 H26 Cd N2 O4 -","- C36 H26 Cd N2 O4 -","- C288 H208 Cd8 N16 O32 -","8","1","","Hu, Fei-Long; Wang, Hui-Fang; Guo, Dong; Zhang, Hui; Lang, Jian-Ping; Beves, Jonathon E.","Controlled formation of chiral networks and their reversible chiroptical switching behaviour by UV/microwave irradiation","Chemical Communications","2016","52","51","7990","7993","10.1039/c6cc03256g","","","0.71073","MoKα","","0.1436","0.0746","","","0.1523","0.1821","","","","","","1.018","","","","has coordinates,has disorder","204130","2020-10-21","18:00:00",""
"7119474","14.4896","0.0003","14.4896","0.0003","29.1167","0.001","90","","90","","90","","6113","0.3","273","2","273","2","","","","","","","","5","P 41 21 2","P 4abw 2nw","92","","","","- C36 H26 Cd N2 O4 -","- C36 H26 Cd N2 O4 -","- C288 H208 Cd8 N16 O32 -","8","1","","Hu, Fei-Long; Wang, Hui-Fang; Guo, Dong; Zhang, Hui; Lang, Jian-Ping; Beves, Jonathon E.","Controlled formation of chiral networks and their reversible chiroptical switching behaviour by UV/microwave irradiation","Chemical Communications","2016","52","51","7990","7993","10.1039/c6cc03256g","","","0.71073","MoKα","","0.1015","0.078","","","0.1771","0.1939","","","","","","1.102","","","","has coordinates,has disorder","204130","2020-10-21","18:00:00",""
"7119475","14.4789","0.0004","14.4789","0.0004","29.007","0.002","90","","90","","90","","6081","0.5","273","2","273","2","","","","","","","","5","P 43 21 2","P 4nw 2abw","96","","","","- C36 H26 Cd N2 O4 -","- C36 H26 Cd N2 O4 -","- C288 H208 Cd8 N16 O32 -","8","1","","Hu, Fei-Long; Wang, Hui-Fang; Guo, Dong; Zhang, Hui; Lang, Jian-Ping; Beves, Jonathon E.","Controlled formation of chiral networks and their reversible chiroptical switching behaviour by UV/microwave irradiation","Chemical Communications","2016","52","51","7990","7993","10.1039/c6cc03256g","","","0.71073","MoKα","","0.0957","0.0682","","","0.1528","0.1664","","","","","","1.108","","","","has coordinates,has disorder","204130","2020-10-21","18:00:00",""
"7119476","14.5067","0.0003","14.5067","0.0003","28.888","0.0016","90","","90","","90","","6079.3","0.4","273","2","273","2","","","","","","","","5","P 41 21 2","P 4abw 2nw","92","","","","- C36 H26 Cd N2 O4 -","- C36 H26 Cd N2 O4 -","- C288 H208 Cd8 N16 O32 -","8","1","","Hu, Fei-Long; Wang, Hui-Fang; Guo, Dong; Zhang, Hui; Lang, Jian-Ping; Beves, Jonathon E.","Controlled formation of chiral networks and their reversible chiroptical switching behaviour by UV/microwave irradiation","Chemical Communications","2016","52","51","7990","7993","10.1039/c6cc03256g","","","0.71073","MoKα","","0.1212","0.0824","","","0.1949","0.2165","","","","","","1.069","","","","has coordinates,has disorder","204130","2020-10-21","18:00:00",""
"7119477","14.4975","0.0002","14.4975","0.0002","29.1189","0.0011","90","","90","","90","","6120.1","0.3","273","2","273","2","","","","","","","","5","P 41 21 2","P 4abw 2nw","92","","","","- C36 H26 Cd N2 O4 -","- C36 H26 Cd N2 O4 -","- C288 H208 Cd8 N16 O32 -","8","1","","Hu, Fei-Long; Wang, Hui-Fang; Guo, Dong; Zhang, Hui; Lang, Jian-Ping; Beves, Jonathon E.","Controlled formation of chiral networks and their reversible chiroptical switching behaviour by UV/microwave irradiation","Chemical Communications","2016","52","51","7990","7993","10.1039/c6cc03256g","","","0.71073","MoKα","","0.098","0.0791","","","0.1845","0.1967","","","","","","1.1","","","","has coordinates,has disorder","204130","2020-10-21","18:00:00",""
"7119478","14.5803","0.0004","14.5803","0.0004","29.181","0.002","90","","90","","90","","6203.4","0.5","293","2","293","2","","","","","","","","5","P 43 21 2","P 4nw 2abw","96","","","","- C36 H26 Cd N2 O4 -","- C36 H26 Cd N2 O4 -","- C288 H208 Cd8 N16 O32 -","8","1","","Hu, Fei-Long; Wang, Hui-Fang; Guo, Dong; Zhang, Hui; Lang, Jian-Ping; Beves, Jonathon E.","Controlled formation of chiral networks and their reversible chiroptical switching behaviour by UV/microwave irradiation","Chemical Communications","2016","52","51","7990","7993","10.1039/c6cc03256g","","","0.71073","MoKα","","0.0617","0.0465","","","0.0902","0.0965","","","","","","1.067","","","","has coordinates,has disorder","204130","2020-10-21","18:00:00",""
"7119479","14.5474","0.0002","14.5474","0.0002","29.2215","0.0009","90","","90","","90","","6184.1","0.2","293","2","293","2","","","","","","","","5","P 41 21 2","P 4abw 2nw","92","","","","- C36 H26 Cd N2 O4 -","- C36 H26 Cd N2 O4 -","- C288 H208 Cd8 N16 O32 -","8","1","","Hu, Fei-Long; Wang, Hui-Fang; Guo, Dong; Zhang, Hui; Lang, Jian-Ping; Beves, Jonathon E.","Controlled formation of chiral networks and their reversible chiroptical switching behaviour by UV/microwave irradiation","Chemical Communications","2016","52","51","7990","7993","10.1039/c6cc03256g","","","0.71073","MoKα","","0.0594","0.05","","","0.11","0.1156","","","","","","1.097","","","","has coordinates,has disorder","204130","2020-10-21","18:00:00",""
"7119480","14.5616","0.0003","14.5616","0.0003","29.153","0.0008","90","","90","","90","","6181.6","0.2","293","2","293","2","","","","","","","","5","P 43 21 2","P 4nw 2abw","96","","","","- C36 H26 Cd N2 O4 -","- C36 H26 Cd N2 O4 -","- C288 H208 Cd8 N16 O32 -","8","1","","Hu, Fei-Long; Wang, Hui-Fang; Guo, Dong; Zhang, Hui; Lang, Jian-Ping; Beves, Jonathon E.","Controlled formation of chiral networks and their reversible chiroptical switching behaviour by UV/microwave irradiation","Chemical Communications","2016","52","51","7990","7993","10.1039/c6cc03256g","","","0.71073","MoKα","","0.1071","0.0983","","","0.2164","0.2214","","","","","","1.154","","","","has coordinates,has disorder","204130","2020-10-21","18:00:00",""
"7119481","14.4906","0.0003","14.4906","0.0003","29.1148","0.0011","90","","90","","90","","6113.5","0.3","273","2","273","2","","","","","","","","5","P 41 21 2","P 4abw 2nw","92","","","","- C36 H25 Cd N2 O4 -","- C36 H25 Cd N2 O4 -","- C288 H200 Cd8 N16 O32 -","8","1","","Hu, Fei-Long; Wang, Hui-Fang; Guo, Dong; Zhang, Hui; Lang, Jian-Ping; Beves, Jonathon E.","Controlled formation of chiral networks and their reversible chiroptical switching behaviour by UV/microwave irradiation","Chemical Communications","2016","52","51","7990","7993","10.1039/c6cc03256g","","","0.71073","MoKα","","0.1098","0.0792","","","0.1737","0.193","","","","","","1.094","","","","has coordinates,has disorder","204130","2020-10-21","18:00:00",""
"7119482","44.874","0.004","44.874","0.004","42.074","0.005","90","","90","","120","","73373","13","173","2","173","2","","","","","","","","4","R -3 :H","-R 3","148","","InOF-9","","- C72 H40 In2 O16 -","- C72 H40 In2 O16 -","- C1296 H720 In36 O288 -","18","1","","Panpan; Yu; Qipeng; Li; Yue; Hu; Nannan; Liu; Lijie; Zhang; Kongzhao; Su; Jinjie; Qian; Shaoming; Huang; Maochun; Hong","Cuboctahedron-based indium-organic frameworks for gas sorption and selective cation exchange","Chem.Commun.","2016","52","","7978","","","","","0.71073","MoKα","","0.1337","0.0845","","","0.2307","0.2533","","","","","","0.945","","","","has coordinates","190518","2020-10-21","18:00:00",""
"7119483","25.507","0.004","8.1552","0.0014","16.661","0.003","90","","92.869","0.002","90","","3461.4","1","90","","90","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","11-Benzoyl-6-hydroxytetracen-5(12H)-one","","- C25 H16 O3 -","- C25 H16 O3 -","- C200 H128 O24 -","8","1","","Hikaru; Yanai; Nobuyuki; Ishii; Takashi; Matsumoto","Synthesis of 1,2,3,4-tetrasubstituted naphthalenes through a cascade reaction triggered by silyl acetal activation","Chem.Commun.","2016","52","","7974","","","","","0.71073","MoKα","","0.0464","0.0357","","","0.0868","0.0925","","","","","","1.04","","","","has coordinates","190519","2020-10-21","18:00:00",""
"7119484","9.173","0.002","10.382","0.003","12.748","0.003","104.062","0.003","94.66","0.003","116.023","0.002","1033.4","0.4","90","","90","","","","","","","","","3","P -1","-P 1","2","","Ethyl 4-benzoyl-3-benzyl-1-hydroxy-2-naphthoate","","- C27 H22 O4 -","- C27 H22 O4 -","- C54 H44 O8 -","2","1","","Hikaru; Yanai; Nobuyuki; Ishii; Takashi; Matsumoto","Synthesis of 1,2,3,4-tetrasubstituted naphthalenes through a cascade reaction triggered by silyl acetal activation","Chem.Commun.","2016","52","","7974","","","","","0.71073","MoKα","","0.0524","0.0466","","","0.1304","0.1368","","","","","","1.046","","","","has coordinates","190519","2020-10-21","18:00:00",""
"7119485","14.1779","0.0017","7.8527","0.0009","19.28","0.002","90","","96.464","0.0016","90","","2132.9","0.4","90","","90","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","Ethyl 4-benzoyl-1-hydroxy-3-pentyl-2-naphthoate","","- C25 H26 O4 -","- C25 H26 O4 -","- C100 H104 O16 -","4","1","","Hikaru; Yanai; Nobuyuki; Ishii; Takashi; Matsumoto","Synthesis of 1,2,3,4-tetrasubstituted naphthalenes through a cascade reaction triggered by silyl acetal activation","Chem.Commun.","2016","52","","7974","","","","","0.71073","MoKα","","0.0416","0.0348","","","0.0913","0.0963","","","","","","1.038","","","","has coordinates","190519","2020-10-21","18:00:00",""
"7119486","5.7885","0.0004","10.4613","0.0008","16.3808","0.0012","92.216","0.001","97.607","0.001","92.531","0.001","981.26","0.12","90","2","90","2","","","","","","","","3","P -1","-P 1","2","","Ethyl 5-hydroxy-12-phenyltetraphene-6-carboxylate","","- C27 H24 O3 -","- C27 H24 O3 -","- C54 H48 O6 -","2","1","","Hikaru; Yanai; Nobuyuki; Ishii; Takashi; Matsumoto","Synthesis of 1,2,3,4-tetrasubstituted naphthalenes through a cascade reaction triggered by silyl acetal activation","Chem.Commun.","2016","52","","7974","","","","","0.71073","MoKα","","0.0455","0.0392","","","0.1062","0.1115","","","","","","0.977","","","","has coordinates","190519","2020-10-21","18:00:00",""
"7119487","12.8806","0.0003","15.305","0.0003","15.3667","0.0003","113.734","0.0011","98.8175","0.0012","110.01","0.0011","2452.06","0.1","200","2","200","2","","","","","","","","8","P -1","-P 1","2","","","","- C37.5 H32.5 Br Cl10.5 Mn N3 O3 P2 -","- C37.5 H32.5 Br Cl10.5 Mn N3 O3 P2 -","- C75 H65 Br2 Cl21 Mn2 N6 O6 P4 -","2","1","","Gyandshwar; Kumar; Rao; Wendy; Pell; Ilia; Korobkov; Darrin; Richeson","Electrocatalytic reduction of CO2 using Mn complexes with unconventional coordination environments","Chem.Commun.","2016","52","","8010","","","","","0.71073","MoKα","","0.0582","0.0465","","","0.1195","0.1275","","","","","","1.061","","","","has coordinates,has disorder","190520","2020-10-21","18:00:00",""
"7119488","8.312","0.0002","11.1704","0.0003","11.8045","0.0004","90","","108.672","0.0016","90","","1038.34","0.05","200","2","200","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C21 H17 Br Mn N2 O3 P -","- C21 H17 Br Mn N2 O3 P -","- C42 H34 Br2 Mn2 N4 O6 P2 -","2","1","","Gyandshwar; Kumar; Rao; Wendy; Pell; Ilia; Korobkov; Darrin; Richeson","Electrocatalytic reduction of CO2 using Mn complexes with unconventional coordination environments","Chem.Commun.","2016","52","","8010","","","","","0.71073","MoKα","","0.0253","0.024","","","0.0577","0.0582","","","","","","0.935","","","","has coordinates,has disorder","190520","2020-10-21","18:00:00",""
"7119591","25.444","0.002","25.444","0.002","5.2862","0.0006","90","","90","","120","","2963.8","0.5","100","2","100","2","","","","","","","","5","P 3","P 3","143","dg_inp_benzamin2","dg_inp_benzamin2","","- C45 H48 In N3 O6 -","- C45 H48 In N3 O6 -","- C135 H144 In3 N9 O18 -","3","1","","Gary, Dylan C.; Petrone, Alessio; Li, Xiaosong; Cossairt, Brandi M.","Investigating the role of amine in InP nanocrystal synthesis: destabilizing cluster intermediates by Z-type ligand displacement.","Chemical communications (Cambridge, England)","2016","53","1","161","164","10.1039/c6cc07952k","","","0.71073","MoKα","","0.1216","0.0829","","","0.156","0.1725","","","","","","1.024","","","","has coordinates","191435","2020-10-21","18:00:00",""
"7119592","12.044","0.005","14.466","0.006","19.396","0.008","81.95","0.02","77.12","0.02","69.98","0.02","3088","2","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C63.5 H96 N4 P2 Si2 -","- C63.5 H96 N4 P2 Si2 -","- C127 H192 N8 P4 Si4 -","2","1","","Kundu, Subrata; Mohapatra, Chandrajeet; Samuel, Prinson P.; Kretsch, Johannes; Walawalkar, M. G.; Herbst-Irmer, Regine; Stalke, Dietmar; De, Sriman; Koley, Debasis; Roesky, Herbert W.","An unprecedented 1,4-diphospha-2,3-disila butadiene (-P[double bond, length as m-dash]Si-Si[double bond, length as m-dash]P-) derivative and a 1,3-diphospha-2-silaallyl anion, each stabilized by the amidinate ligand.","Chemical communications (Cambridge, England)","2016","53","1","192","195","10.1039/c6cc09171g","","","0.71073","MoKα","","0.058","0.0382","","","0.0912","0.1043","","","","","","1.033","","","","has coordinates,has disorder","191436","2020-10-21","18:00:00",""
"7119593","10.771","0.003","13.848","0.003","22.433","0.005","101.05","0.01","103.86","0.01","100.66","0.01","3093.4","1.3","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C61 H101 K N2 O7 P2 Si -","- C61 H101 K N2 O7 P2 Si -","- C122 H202 K2 N4 O14 P4 Si2 -","2","1","","Kundu, Subrata; Mohapatra, Chandrajeet; Samuel, Prinson P.; Kretsch, Johannes; Walawalkar, M. G.; Herbst-Irmer, Regine; Stalke, Dietmar; De, Sriman; Koley, Debasis; Roesky, Herbert W.","An unprecedented 1,4-diphospha-2,3-disila butadiene (-P[double bond, length as m-dash]Si-Si[double bond, length as m-dash]P-) derivative and a 1,3-diphospha-2-silaallyl anion, each stabilized by the amidinate ligand.","Chemical communications (Cambridge, England)","2016","53","1","192","195","10.1039/c6cc09171g","","","0.56086","AgKα","","0.0416","0.0331","","","0.0764","0.0813","","","","","","1.04","","","","has coordinates,has disorder","191436","2020-10-21","18:00:00",""
"7119594","14.1479","0.0007","12.1971","0.0007","19.3891","0.0013","90","","100.086","0.006","90","","3294.1","0.3","123","2","123","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C30 H44 Al B Br2 N2 O -","- C30 H44 Al B Br2 N2 O -","- C120 H176 Al4 B4 Br8 N8 O4 -","4","1","","Dange, Deepak; Sindlinger, Christian P.; Aldridge, Simon; Jones, Cameron","Boryl substituted group 13 metallylenes: complexes with an iron carbonyl fragment.","Chemical communications (Cambridge, England)","2016","53","1","149","152","10.1039/c6cc08449d","","","0.71073","MoKα","","0.0686","0.0379","","","0.0739","0.0831","","","","","","1.019","","","","has coordinates","191437","2020-10-21","18:00:00",""
"7119595","13.955","0.0011","11.3797","0.0008","20.3233","0.0016","90","","109.513","0.004","90","","3042.1","0.4","123","2","123","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C60 H72 B2 Fe2 Ga2 N4 O8 -","- C60 H72 B2 Fe2 Ga2 N4 O8 -","- C120 H144 B4 Fe4 Ga4 N8 O16 -","2","0.5","","Dange, Deepak; Sindlinger, Christian P.; Aldridge, Simon; Jones, Cameron","Boryl substituted group 13 metallylenes: complexes with an iron carbonyl fragment.","Chemical communications (Cambridge, England)","2016","53","1","149","152","10.1039/c6cc08449d","","","0.71073","MoKα","","0.0465","0.0306","","","0.0676","0.0732","","","","","","1.031","","","","has coordinates","191438","2020-10-21","18:00:00",""
"7119596","12.5003","0.0004","21.3651","0.0008","19.663","0.0007","90","","93.175","0.003","90","","5243.3","0.3","123","2","123","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C52 H72 B2 Br In N4 -","- C52 H72 B2 Br In N4 -","- C208 H288 B8 Br4 In4 N16 -","4","1","","Dange, Deepak; Sindlinger, Christian P.; Aldridge, Simon; Jones, Cameron","Boryl substituted group 13 metallylenes: complexes with an iron carbonyl fragment.","Chemical communications (Cambridge, England)","2016","53","1","149","152","10.1039/c6cc08449d","","","0.71073","MoKα","","0.0604","0.0372","","","0.0795","0.0887","","","","","","1.023","","","","has coordinates","191439","2020-10-21","18:00:00",""
"7119597","10.2077","0.001","12.3372","0.0011","13.3681","0.0015","90","","106.068","0.011","90","","1617.7","0.3","123","2","123","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C30 H44 B Cl2 Ga N2 O -","- C30 H44 B Cl2 Ga N2 O -","- C60 H88 B2 Cl4 Ga2 N4 O2 -","2","1","","Dange, Deepak; Sindlinger, Christian P.; Aldridge, Simon; Jones, Cameron","Boryl substituted group 13 metallylenes: complexes with an iron carbonyl fragment.","Chemical communications (Cambridge, England)","2016","53","1","149","152","10.1039/c6cc08449d","","","0.71073","MoKα","","0.0398","0.0338","","","0.0783","0.083","","","","","","1.062","","","","has coordinates","191440","2020-10-21","18:00:00",""
"7119598","14.126","0.0007","12.1475","0.0006","19.3683","0.0011","90","","100.037","0.005","90","","3272.6","0.3","123","2","123","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C30 H44 B Br2 Ga N2 O -","- C30 H44 B Br2 Ga N2 O -","- C120 H176 B4 Br8 Ga4 N8 O4 -","4","1","","Dange, Deepak; Sindlinger, Christian P.; Aldridge, Simon; Jones, Cameron","Boryl substituted group 13 metallylenes: complexes with an iron carbonyl fragment.","Chemical communications (Cambridge, England)","2016","53","1","149","152","10.1039/c6cc08449d","","","0.71073","MoKα","","0.0494","0.0314","","","0.066","0.0725","","","","","","1.029","","","","has coordinates","191441","2020-10-21","18:00:00",""
"7119599","12.057","0.002","12.316","0.003","25.08","0.005","90","","91.93","0.03","90","","3722.1","1.3","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C75 H96 Al2 B2 Fe2 N4 O10 -","- C75 H96 Al2 B2 Fe2 N4 O10 -","- C150 H192 Al4 B4 Fe4 N8 O20 -","2","0.5","","Dange, Deepak; Sindlinger, Christian P.; Aldridge, Simon; Jones, Cameron","Boryl substituted group 13 metallylenes: complexes with an iron carbonyl fragment.","Chemical communications (Cambridge, England)","2016","53","1","149","152","10.1039/c6cc08449d","","","0.7109","Synchrotron","","0.0606","0.0496","","","0.1215","0.1284","","","","","","1.026","","","","has coordinates,has disorder","191442","2020-10-21","18:00:00",""
"7119600","5.3751","0.0003","7.6377","0.0004","38.647","0.002","90","","90","","90","","1586.59","0.15","123","","123","","","","","","","","see text","3","P 21 21 21","P 2ac 2ab","19","","","","- C16 H26 O4 -","- C16 H26 O4 -","- C64 H104 O16 -","4","1","","Lehmann, Johannes; Richers, Johannes; Pöthig, Alexander; Sieber, Stephan A.","Synthesis of ramariolide natural products and discovery of their targets in mycobacteria.","Chemical communications (Cambridge, England)","2016","53","1","107","110","10.1039/c6cc08365j","","x-ray","0.71073","MoKα","","0.0375","0.0311","","","0.0585","0.0603","","","","","","1.038","","","","has coordinates","191444","2020-10-21","18:00:00",""
"7119601","5.371","0.0012","10.283","0.002","29.398","0.007","87.277","0.008","84.938","0.008","89.485","0.008","1615.5","0.6","100","","100","","","","","","","","","3","P -1","-P 1","2","","","","- C16 H26 O4 -","- C16 H26 O4 -","- C64 H104 O16 -","4","2","","Lehmann, Johannes; Richers, Johannes; Pöthig, Alexander; Sieber, Stephan A.","Synthesis of ramariolide natural products and discovery of their targets in mycobacteria.","Chemical communications (Cambridge, England)","2016","53","1","107","110","10.1039/c6cc08365j","","x-ray","0.71073","MoKα","","0.0643","0.052","","","0.1079","0.1137","","","","","","1.134","","","","has coordinates","191444","2020-10-21","18:00:00",""
"7119602","9.1381","0.0012","10.1764","0.0013","10.7753","0.0014","99.9","0.002","92.142","0.002","100.863","0.002","966.9","0.2","130","","130","","","","","","","","","6","P -1","-P 1","2","","","","- C23 H18 Br N O2 S -","- C23 H18 Br N O2 S -","- C46 H36 Br2 N2 O4 S2 -","2","1","","Cao, Bo; Simaan, Marwan; Marek, Ilan; Wei, Yin; Shi, Min","Palladium-catalyzed oxidative cyclization of aniline-tethered alkylidenecyclopropanes with O2: a facile protocol to selectively synthesize 2- and 3-vinylindoles.","Chemical communications (Cambridge, England)","2016","53","1","216","219","10.1039/c6cc08731k","","","0.71073","MoKα","","0.0547","0.0403","","","0.1024","0.1097","","","","","","1.022","","","","has coordinates","191445","2020-10-21","18:00:00",""
"7119603","5.7303","0.0001","7.7701","0.0002","27.8613","0.0006","90","","90","","90","","1240.52","0.05","103","2","103","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C15 H14 O S -","- C15 H14 O S -","- C60 H56 O4 S4 -","4","1","","Zhang, Yuexia; Wong, Zeng Rong; Wu, Xingxing; Lauw, Sherman J. L.; Huang, Xuan; Webster, Richard D.; Chi, Yonggui Robin","Sulfoxidation of alkenes and alkynes with NFSI as a radical initiator and selective oxidant.","Chemical communications (Cambridge, England)","2016","53","1","184","187","10.1039/c6cc08631d","","","1.54178","CuKα","","0.0466","0.0438","","","0.1004","0.1016","","","","","","1.077","","","","has coordinates","191446","2020-10-21","18:00:00",""
"7119604","26.557","0.004","5.7283","0.0009","8.4734","0.0014","90","","105.676","0.003","90","","1241.1","0.3","103","2","103","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C14 H11 Cl O S -","- C14 H11 Cl O S -","- C56 H44 Cl4 O4 S4 -","4","1","","Zhang, Yuexia; Wong, Zeng Rong; Wu, Xingxing; Lauw, Sherman J. L.; Huang, Xuan; Webster, Richard D.; Chi, Yonggui Robin","Sulfoxidation of alkenes and alkynes with NFSI as a radical initiator and selective oxidant.","Chemical communications (Cambridge, England)","2016","53","1","184","187","10.1039/c6cc08631d","","","0.71073","MoKα","","0.0291","0.0265","","","0.0624","0.0639","","","","","","1.059","","","","has coordinates","191446","2020-10-21","18:00:00",""
"7119605","14.2258","0.0017","12.7624","0.0018","13.8668","0.0013","90","","117.138","0.014","90","","2240.4","0.5","149.9","0.2","149.9","0.2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C18 H20 Br2 Cl2 Cu N4 O S -","- C18 H6 Br2 Cl2 Cu N4 O S -","- C72 H24 Br8 Cl8 Cu4 N16 O4 S4 -","4","1","","Montagner, D.; Fresch, B.; Browne, K.; Gandin, V.; Erxleben, A.","A Cu(ii) complex targeting the translocator protein: in vitro and in vivo antitumor potential and mechanistic insights.","Chemical communications (Cambridge, England)","2016","53","1","134","137","10.1039/c6cc08100b","","","0.71073","MoKα","","0.2037","0.0863","","","0.1766","0.2413","","","","","","1.017","","","","has coordinates,has disorder","191447","2020-10-21","18:00:00",""
"7119606","11.704","0.0008","18.1966","0.0009","13.7408","0.0007","90","","105.421","0.007","90","","2821.1","0.3","170","","170","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C17 H39 B11 N2 O3 S -","- C17 H39 B11 N2 O3 S -","- C68 H156 B44 N8 O12 S4 -","4","1","","Shen, Yunjun; Pan, Yani; Liu, Jiyong; Sattasathuchana, Tosaporn; Baldridge, Kim K.; Duttwyler, Simon","Synthesis and full characterization of an iridium B-H activation intermediate of the monocarba-closo-dodecaborate anion.","Chemical communications (Cambridge, England)","2016","53","1","176","179","10.1039/c6cc08121e","","","0.71073","MoKα","","0.0897","0.058","","","0.1341","0.1541","","","","","","1.021","","","","has coordinates,has disorder","191448","2020-10-21","18:00:00",""
"7119607","31.5995","0.0015","11.8627","0.0004","22.3097","0.0008","90","","107.086","0.005","90","","7993.8","0.6","293","2","293.15","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C29 H55 B11 Ir N3 O3 S -","- C29 H55 B11 Ir N3 O3 S -","- C232 H440 B88 Ir8 N24 O24 S8 -","8","1","","Shen, Yunjun; Pan, Yani; Liu, Jiyong; Sattasathuchana, Tosaporn; Baldridge, Kim K.; Duttwyler, Simon","Synthesis and full characterization of an iridium B-H activation intermediate of the monocarba-closo-dodecaborate anion.","Chemical communications (Cambridge, England)","2016","53","1","176","179","10.1039/c6cc08121e","","","0.71073","MoKα","","0.0537","0.0393","","","0.1008","0.1095","","","","","","1.05","","","","has coordinates","191448","2020-10-21","18:00:00",""
"7119608","8.9017","0.0018","9.2639","0.0019","13.141","0.003","97.1","0.03","101.59","0.03","107.3","0.03","993.9","0.5","173.15","","173.15","","","","","","","","","6","P -1","-P 1","2","","","","- C42.77 H39.54 Cl1.54 N2 O4 S2 -","- C42.76 H39.52 Cl1.52 N2 O4 S2 -","- C42.76 H39.52 Cl1.52 N2 O4 S2 -","1","0.5","","Fan, Wei; Liu, Chunming; Li, Yan; Wang, Zhaohui","Fluoroalkyl-modified naphthodithiophene diimides.","Chemical communications (Cambridge, England)","2016","53","1","188","191","10.1039/c6cc07102c","","","0.71073","MoKα","","0.0876","0.0774","","","0.2008","0.2086","","","","","","1.099","","","","has coordinates,has disorder","191449","2020-10-21","18:00:00",""
"7119609","6.6539","0.0013","13.569","0.003","14.64","0.003","71.22","0.03","78.76","0.03","84.06","0.03","1226.2","0.5","173.15","","173.15","","","","","","","","","6","P -1","-P 1","2","","","","- C50 H36 F18 N2 O4 S2 -","- C50 H36 F18 N2 O4 S2 -","- C50 H36 F18 N2 O4 S2 -","1","0.5","","Fan, Wei; Liu, Chunming; Li, Yan; Wang, Zhaohui","Fluoroalkyl-modified naphthodithiophene diimides.","Chemical communications (Cambridge, England)","2016","53","1","188","191","10.1039/c6cc07102c","","","0.71073","MoKα","","0.11","0.0913","","","0.2051","0.2191","","","","","","1.125","","","","has coordinates,has disorder","191449","2020-10-21","18:00:00",""
"7119610","28.23","0.02","11.002","0.009","8.319","0.007","90","","93.13","0.011","90","","2580","4","173.15","","173.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C26 H8 F14 N2 O4 S2 -","- C26 H8 F14 N2 O4 S2 -","- C104 H32 F56 N8 O16 S8 -","4","1","","Fan, Wei; Liu, Chunming; Li, Yan; Wang, Zhaohui","Fluoroalkyl-modified naphthodithiophene diimides.","Chemical communications (Cambridge, England)","2016","53","1","188","191","10.1039/c6cc07102c","","","0.71073","MoKα","","0.1393","0.1312","","","0.3363","0.34","","","","","","1.17","","","","has coordinates,has disorder","191449","2020-10-21","18:00:00",""
"7119611","9.7362","0.0003","11.7081","0.0003","13.2219","0.0005","90","0","111.371","0.001","90","0","1403.56","0.08","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C30 H34 N2 O9 -","- C30 H34 N2 O9 -","- C60 H68 N4 O18 -","2","1","","Coffinet, Michaël; Massicot, Fabien; Joseph, Jomy; Behr, Jean-Bernard; Jaroschik, Florian; Vasse, Jean-Luc","(+)-Camphor-mediated kinetic resolution of allylalanes: a strategy towards enantio-enriched cyclohex-2-en-1-ylalane.","Chemical communications (Cambridge, England)","2016","53","1","111","114","10.1039/c6cc08649g","","","1.54178","CuKα","","0.0301","0.0287","","","0.0696","0.0707","","","","","","1.038","","","","has coordinates","191450","2020-10-21","18:00:00",""
"7119612","5.8561","0.0003","23.26","0.0009","44.864","0.002","90","","90","","90","","6111.1","0.5","298","2","298","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C38 H32 N2 O2 S -","- C38 H32 N2 O2 S -","- C304 H256 N16 O16 S8 -","8","2","","Chakrabarty, Indradweep; Inamdar, Suleman M.; Akram, Manjur O.; Gade, Amol B.; Banerjee, Subhrashis; Bera, Saibal; Patil, Nitin T.","[3+2]-Annulation of platinum-bound azomethine ylides with distal C[double bond, length as m-dash]C bonds of N-allenamides.","Chemical communications (Cambridge, England)","2016","53","1","196","199","10.1039/c6cc07874e","","x-ray","1.54184","CuKα","","0.0947","0.0585","","","","0.1611","","","","","","1.056","","","","has coordinates","191451","2020-10-21","18:00:00",""
"7119613","12.3872","0.0006","14.0558","0.0006","20.5038","0.001","87.217","0.004","82.18","0.004","66.748","0.004","3249.4","0.3","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C40 H36 N2 O2 S -","- C40 H36 N2 O2 S -","- C160 H144 N8 O8 S4 -","4","2","","Chakrabarty, Indradweep; Inamdar, Suleman M.; Akram, Manjur O.; Gade, Amol B.; Banerjee, Subhrashis; Bera, Saibal; Patil, Nitin T.","[3+2]-Annulation of platinum-bound azomethine ylides with distal C[double bond, length as m-dash]C bonds of N-allenamides.","Chemical communications (Cambridge, England)","2016","53","1","196","199","10.1039/c6cc07874e","","x-ray","0.71073","MoKα","","0.1364","0.0713","","","","0.1829","","","","","","1.058","","","","has coordinates","191451","2020-10-21","18:00:00",""
"7119614","17.0963","0.0019","5.7666","0.0006","30.224","0.003","90","","96.798","0.01","90","","2958.8","0.5","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C37 H29 N2 O2 S -","- C37 H29 N2 O2 S -","- C148 H116 N8 O8 S4 -","4","1","","Chakrabarty, Indradweep; Inamdar, Suleman M.; Akram, Manjur O.; Gade, Amol B.; Banerjee, Subhrashis; Bera, Saibal; Patil, Nitin T.","[3+2]-Annulation of platinum-bound azomethine ylides with distal C[double bond, length as m-dash]C bonds of N-allenamides.","Chemical communications (Cambridge, England)","2016","53","1","196","199","10.1039/c6cc07874e","","x-ray","1.54184","CuKα","","0.0845","0.0641","","","","0.2096","","","","","","1.0365","","","","has coordinates","191451","2020-10-21","18:00:00",""
"7119615","33.1977","0.0003","33.1977","0.0003","59.4184","0.0008","90","","90","","120","","56711","1.1","120","2","120","2","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","","","- C219 H324 Gd18 N30 O147 -","- C219 H306 Gd18 N30 O147 -","- C1314 H1836 Gd108 N180 O882 -","6","0.166667","","Kai; Wang; Zi-Lu; Chen; Hua-Hong; Zou; Kun; Hu; Hai-Ye; Li; Zhong; Zhang; Wei-Yin; Sun; Fu-Pei; Liang","A single-stranded {Gd18} nanowheel with a symmetric polydentate diacylhydrazone ligand","Chem.Commun.","2016","52","","8297","","","","","0.71073","MoKα","","0.0786","0.0568","","","0.1326","0.1545","","","","","","1.158","","","","has coordinates,has disorder","191776","2020-10-21","18:00:00",""
"7119616","7.965","0.0002","9.5073","0.0002","16.0506","0.0004","90","","90","","90","","1215.44","0.05","100","","100","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C15 H15 N O2 -","- C15 H15 N O2 -","- C60 H60 N4 O8 -","4","1","","Ramya Raghunathan; Elango Kumarasamy; Steffen Jockusch; Angel Ugrinov; J. Sivaguru","Engaging electronic effects for atropselective [5+2]-photocycloaddition of maleimides","Chem.Commun.","2016","52","","8305","","","","","1.54178","CuKα","","0.0272","0.0266","","","0.0656","0.0661","","","","","","1.068","","","","has coordinates","191777","2020-10-21","18:00:00",""
"7119617","7.9647","0.0002","9.5076","0.0003","16.0492","0.0005","90","","90","","90","","1215.33","0.06","100","","100","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C15 H15 N O2 -","- C15 H15 N O2 -","- C60 H60 N4 O8 -","4","1","","Ramya Raghunathan; Elango Kumarasamy; Steffen Jockusch; Angel Ugrinov; J. Sivaguru","Engaging electronic effects for atropselective [5+2]-photocycloaddition of maleimides","Chem.Commun.","2016","52","","8305","","","","","1.54178","CuKα","","0.0283","0.0277","","","0.0679","0.0684","","","","","","1.104","","","","has coordinates","191777","2020-10-21","18:00:00",""
"7119618","8.5431","0.0008","9.8089","0.0008","14.6636","0.0012","90","","90","","90","","1228.79","0.18","100","2","100","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C14 H12 Br N O2 -","- C14 H12 Br N O2 -","- C56 H48 Br4 N4 O8 -","4","1","","Ramya Raghunathan; Elango Kumarasamy; Steffen Jockusch; Angel Ugrinov; J. Sivaguru","Engaging electronic effects for atropselective [5+2]-photocycloaddition of maleimides","Chem.Commun.","2016","52","","8305","","","","","0.71073","MoKα","","0.0244","0.0204","","","0.0425","0.0436","","","","","","1.04","","","","has coordinates","191777","2020-10-21","18:00:00",""
"7119619","16.9222","0.0007","7.6509","0.0003","20.5384","0.0008","90","","109.285","0.002","90","","2509.9","0.18","296","2","296.15","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C15 H15 N O3 -","- C15 H15 N O3 -","- C120 H120 N8 O24 -","8","2","","Ramya Raghunathan; Elango Kumarasamy; Steffen Jockusch; Angel Ugrinov; J. Sivaguru","Engaging electronic effects for atropselective [5+2]-photocycloaddition of maleimides","Chem.Commun.","2016","52","","8305","","","","","1.54178","CuKα","","0.1162","0.1101","","","0.2873","0.2902","","","","","","1.092","","","","has coordinates","191777","2020-10-21","18:00:00",""
"7119620","9.6309","0.0003","7.8723","0.0002","17.274","0.0005","90","","96.92","0.0012","90","","1300.13","0.06","296","2","296.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H12 F3 N O2 -","- C15 H12 F3 N O2 -","- C60 H48 F12 N4 O8 -","4","1","","Ramya Raghunathan; Elango Kumarasamy; Steffen Jockusch; Angel Ugrinov; J. Sivaguru","Engaging electronic effects for atropselective [5+2]-photocycloaddition of maleimides","Chem.Commun.","2016","52","","8305","","","","","1.54178","CuKα","","0.0508","0.045","","","0.1128","0.1169","","","","","","1.068","","","","has coordinates","191777","2020-10-21","18:00:00",""
"7119621","8.7121","0.0003","11.7093","0.0003","14.2353","0.0004","76.9998","0.0011","72.3793","0.0011","69.8941","0.0006","1287.79","0.07","296","2","296.15","","","","","","","","","5","P -1","-P 1","2","","","","- C15 H12 F3 N O2 -","- C15 H12 F3 N O2 -","- C60 H48 F12 N4 O8 -","4","2","","Ramya Raghunathan; Elango Kumarasamy; Steffen Jockusch; Angel Ugrinov; J. Sivaguru","Engaging electronic effects for atropselective [5+2]-photocycloaddition of maleimides","Chem.Commun.","2016","52","","8305","","","","","1.54178","CuKα","","0.0383","0.0351","","","0.0872","0.0893","","","","","","1.09","","","","has coordinates","191777","2020-10-21","18:00:00",""
"7119622","18.1984","0.0005","7.3629","0.0002","19.2858","0.0005","90","","108.487","0.001","90","","2450.81","0.11","100","2","99.96","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C14 H12 Br N O2 -","- C14 H12 Br N O2 -","- C112 H96 Br8 N8 O16 -","8","2","","Ramya Raghunathan; Elango Kumarasamy; Steffen Jockusch; Angel Ugrinov; J. Sivaguru","Engaging electronic effects for atropselective [5+2]-photocycloaddition of maleimides","Chem.Commun.","2016","52","","8305","","","","","1.54178","CuKα","","0.0384","0.0321","","","0.0778","0.0822","","","","","","1.088","","","","has coordinates","202518","2020-10-21","18:00:00",""
"7119649","9.4627","0.0002","11.1519","0.0003","18.1676","0.0006","90","","90","","90","","1917.17","0.09","294.39","0.1","294.39","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C23 H20 Cl N O2 -","- C23 H20 Cl N O2 -","- C92 H80 Cl4 N4 O8 -","4","1","","Yan Lu; Yuhang Zhou; Lili Lin; Haifeng Zheng; Kai Fu; Xiaohua Liu; Xiaoming Feng","N,N'-Dioxide/nickel(II)-catalyzed asymmetric Diels-Alder reaction of cyclopentadiene with 2,3-dioxopyrrolidines and 2=alkenoyl pyridines","Chem.Commun.","2016","52","","8255","","","","x-ray","1.54184","CuKα","","0.0509","0.0479","","","0.1258","0.1296","","","","","","1.067","","","","has coordinates","192002","2020-10-21","18:00:00",""
"7119650","16.2716","0.0015","21.2062","0.0018","10.0994","0.0009","90","","90","","90","","3484.9","0.5","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","3-Methyl-2-Phenylbutyramide, Salicylic acid","","","- C18 H21 N O4 -","- C18 H21 N O4 -","- C144 H168 N8 O32 -","8","2","","U. B. Rao Khandavilli; Matteo Lusi; Balakrishna R. Bhogala; Anita R. Maguire; Matthias Stein; Simon E. Lawrence","Diversity in a simple co-crystal: racemic and kryptoracemic behaviour","Chem.Commun.","2016","52","","8309","8312","10.1039/C6CC04148E","","","0.71073","","","0.0584","0.0464","","","0.1387","0.1507","","","","","","1.005","","","","has coordinates","287771","2023-11-24","08:38:55",""
"7119651","9.882","0.004","20.953","0.008","16.215","0.006","90","","93.913","0.011","90","","3350","2","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C18 H21 N O4 -","- C18 H21 N O4 -","- C144 H168 N8 O32 -","8","4","","U. B. Rao Khandavilli; Matteo Lusi; Balakrishna R. Bhogala; Anita R. Maguire; Matthias Stein; Simon E. Lawrence","Diversity in a simple co-crystal: racemic and kryptoracemic behaviour","Chem.Commun.","2016","52","","8309","8312","10.1039/C6CC04148E","","","0.71073","MoKα","","0.1735","0.1089","","","0.2653","0.3014","","","","","","1.028","","","","has coordinates","287771","2023-11-24","08:38:56",""
"7119652","10.0661","0.0014","21.081","0.003","16.584","0.002","90","","100.06","0.004","90","","3465.1","0.8","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","3-Methyl-2-Phenylbutyramide-Salicylic acid-Polymorph III","","","- C18 H21 N O4 -","- C18 H21 N O4 -","- C144 H168 N8 O32 -","8","2","","U. B. Rao Khandavilli; Matteo Lusi; Balakrishna R. Bhogala; Anita R. Maguire; Matthias Stein; Simon E. Lawrence","Diversity in a simple co-crystal: racemic and kryptoracemic behaviour","Chem.Commun.","2016","52","","8309","8312","10.1039/C6CC04148E","","","0.71073","","","0.1054","0.0527","","","0.124","0.1506","","","","","","1.013","","","","has coordinates","287771","2023-11-24","08:38:58",""
"7119653","9.03667","0.00017","6.90757","0.00013","21.7122","0.0004","90","","99.8233","0.0009","90","","1335.44","0.04","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C11 H16 N2 O5 S -","- C11 H16 N2 O5 S -","- C44 H64 N8 O20 S4 -","4","1","","Shuai Dong; Kiran Indukuri; Derrick L. J. Clive; Jin-Ming Gao","Synthesis of models of the BC ring systems of MPC1001 and MPC1001F","Chem.Commun.","2016","52","","8271","","","","","1.54178","CuKα","","0.0508","0.0493","","","0.1361","0.1373","","","","","","1.123","","","","has coordinates","192004","2020-10-21","18:00:00",""
"7119654","6.7169","0.0003","7.9571","0.0003","16.1794","0.0006","91.3062","0.0004","98.1391","0.0004","92.2828","0.0005","855","0.06","193","2","193","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H15 N3 O7 S -","- C16 H15 N3 O7 S -","- C32 H30 N6 O14 S2 -","2","1","","Shuai Dong; Kiran Indukuri; Derrick L. J. Clive; Jin-Ming Gao","Synthesis of models of the BC ring systems of MPC1001 and MPC1001F","Chem.Commun.","2016","52","","8271","","","","","0.71073","MoKα","","0.0344","0.032","","","0.0854","0.0877","","","","","","1.025","","","","has coordinates","192004","2020-10-21","18:00:00",""
"7119655","10.013","0.002","7.5562","0.0016","21.159","0.005","90","","93.102","0.003","90","","1598.5","0.6","100.01","0.1","100.01","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H14 F3 N3 O2 -","- C16 H14 F3 N3 O2 -","- C64 H56 F12 N12 O8 -","4","1","","Xing-Long Yu; Jia-Rong Chen; Dong-Zhen Chen; Wen-Jing Xiao","Visible-light-induced photocatalytic azotrifluoromethylation of alkenes with aryldiazonium salts and sodium triflinate","Chem.Commun.","2016","52","","8275","","","","","0.71073","MoKα","","0.0836","0.0578","","","0.1648","0.1835","","","","","","1.049","","","","has coordinates","192005","2020-10-21","18:00:00",""
"7119656","7.7761","0.0016","15.354","0.003","14.48","0.003","90","","95.766","0.008","90","","1720.1","0.6","151","2","150.89","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H17 B F4 O -","- C20 H17 B F4 O -","- C80 H68 B4 F16 O4 -","4","1","","Eliar Mosaferi; David Ripsman; Douglas W. Stephan","The air-stable carbocation salt [(MeOC6H4)CPh2][BF4] in Lewis acid catalyzed hydrothiolation of alkenes","Chem.Commun.","2016","52","","8291","","","","","0.71073","MoKα","","0.1255","0.1084","","","0.3087","0.322","","","","","","1.0549","","","","has coordinates","192006","2020-10-21","18:00:00",""
"7119675","39.65","0.005","13.44","0.005","26.01","0.005","90","","111.476","0.005","90","","12898","6","273","2","273","2","","","","","","","synthesis","6","C 1 2/c 1","-C 2yc","15","","","","- C59 H59 B2 F24 N5 Pt -","- C59 H59 B2 F24 N5 Pt -","- C472 H472 B16 F192 N40 Pt8 -","8","1","","Marta Rosello-Merino; Raquel J. Rama; Josefina Diez; Salvador Conejero","Catalytic dehydrocoupling of amine-boranes and amines into diaminoboranes: isolation of a Pt(II), Shimoi-type, Eta1-BH complex","Chem.Commun.","2016","52","","8389","","","","","1.5418","CuKα","","0.04","0.0395","","","0.0977","0.0981","","","","","","1.041","","","","has coordinates","192269","2020-10-21","18:00:00",""
"7119676","28.2219","0.0017","28.2219","0.0017","9.7266","0.0012","90","","90","","90","","7747","1.2","296","2","296","2","","","","","","","","5","I -4 2 d","I -4 2bw","122","","","","- C68 H78 N8 O28 Zn3 -","- C68 H78 N8 O28 Zn3 -","- C272 H312 N32 O112 Zn12 -","4","0.25","","Jun-Cheng Jin; Ju Wu; Guo-Ping Yang; Yun-Long Wu; Yao-Yu Wang","A microporous anionic metal-organic framework for a highly selective and sensitive electrochemical sensor of Cu2+ ions","Chem.Commun.","2016","52","","8475","","","","","0.71073","MoKα","","0.0618","0.0548","","","0.1461","0.1509","","","","","","1.043","","","","has coordinates,has disorder","192270","2020-10-21","18:00:00",""
"7119677","8.4472","0.0004","12.7834","0.0005","15.0002","0.0006","100.217","0.002","105.699","0.002","108.939","0.0019","1411","0.11","296","2","296","2","","","","","","","","3","P -1","-P 1","2","3-(2-methoxyphenyl)benzo[de]chromene-2,6-dione","3-(2-methoxyphenyl)benzo[de]chromene-2,6-dione","","- C19 H12 O4 -","- C19 H12 O4 -","- C76 H48 O16 -","4","2","","Devenderan Ramanathan; Kayambu Namitharan; Kasi Pitchumani","Copper(I)-Y zeolite catalyzed N-sulfonylketenimine mediated annulation of hydroxynaphthoquinones: syntheses of naphtho[2,1-b]furan-2,5-diones and benzo[de]chromene-2,6-diones","Chem.Commun.","2016","52","","8436","","","","","0.71073","MoKα","","0.075","0.0507","","","0.1251","0.1376","","","","","","1.06","","","","has coordinates","192271","2020-10-21","18:00:00",""
"7119678","9.081","0.0004","15.7891","0.0007","9.2543","0.0004","90","","97.431","0.002","90","","1315.74","0.1","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","1-phenylnaphtho[2,1-b]furan-2,5-dione","","- C18.25 H10.5 O3 -","- C18.25 H10.5 O3 -","- C73 H42 O12 -","4","1","","Devenderan Ramanathan; Kayambu Namitharan; Kasi Pitchumani","Copper(I)-Y zeolite catalyzed N-sulfonylketenimine mediated annulation of hydroxynaphthoquinones: syntheses of naphtho[2,1-b]furan-2,5-diones and benzo[de]chromene-2,6-diones","Chem.Commun.","2016","52","","8436","","","","","0.71073","MoKα","","0.0696","0.0429","","","0.1052","0.1194","","","","","","1.031","","","","has coordinates,has disorder","192271","2020-10-21","18:00:00",""
"7119679","14.3957","0.0007","18.2215","0.0008","16.1798","0.0007","90","","102.476","0.002","90","","4143.9","0.3","233","2","233","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C73 H82 Cl4 Co3 N10 O26 -","- C73 H66 Cl4 Co3 N10 O26 -","- C146 H132 Cl8 Co6 N20 O52 -","2","1","","Roberto Berardozzi; Elena Badetti; Nadia Alessandra Carmo dos Santos; Klaus Wurst; Giulia Licini; Gennaro Pescitelli; Cristiano Zonta; Lorenzo Di Bari","Co(II)-induced giant vibrational CD provides a new design of methods for rapid and sensitive chirality recognition","Chem.Commun.","2016","52","","8428","","","","","0.71073","MoKα","","0.096","0.0674","","","0.1574","0.1724","","","","","","1.026","","","","has coordinates,has disorder","192272","2020-10-21","18:00:00",""
"7119680","9.7234","0.0004","9.8305","0.0004","22.0952","0.0009","102.367","0.003","94.393","0.003","107.218","0.003","1948.22","0.15","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C21 H17 N O3 S Se -","- C21 H17 N O3 S Se -","- C84 H68 N4 O12 S4 Se4 -","4","2","","Kai Sun; Xin Wang; Yunhe Lv; Gang Li; Hezhen Jiao; Changwei Dai; Yangyang Li; Chong Zhang; Lin Liu","Peroxodisulfate-mediated selenoamination of alkenes yielding amidoselenide-containing sulfamides and azoles","Chem.Commun.","2016","52","","8471","","","","","0.71073","MoKα","","0.0569","0.0331","","","0.0753","0.0846","","","","","","1.014","","","","has coordinates","192273","2020-10-21","18:00:00",""
"7119681","16.8676","0.0007","16.8676","0.0007","18.8186","0.0006","90","","90","","120","","4636.9","0.3","131.9","0.2","131.9","0.2","","","","","","","","5","P 63/m m c","-P 6c 2c","194","","","","- C24 H27 Co3 N12 O10 -","- C24 H12 Co3 N12 O10 -","- C48 H24 Co6 N24 O20 -","2","0.0833333","","Di-Ming Chen; Jia-Yue Tian; Chun-Sen Liu; Miao Du","A bracket approach to improve the stability and gas sorption performance of a metal-organic framework via in situ incorporating the size-matching molecular building blocks","Chem. Commun.","2016","52","","8413","","","","","0.71073","MoKα","","0.0484","0.0407","","","0.1459","0.1502","","","","","","1.033","","","","has coordinates,has disorder","192274","2020-10-21","18:00:00",""
"7119682","18.8605","0.0004","18.8605","0.0004","16.6183","0.0004","90","","90","","120","","5119.5","0.2","293","2","293","2","","","","","","","","5","P 63/m m c","-P 6c 2c","194","","","","- C42 H24 Co5 N15 O15 -","- C42 H24 Co5 N15 O15 -","- C84 H48 Co10 N30 O30 -","2","0.0833333","","Di-Ming Chen; Jia-Yue Tian; Chun-Sen Liu; Miao Du","A bracket approach to improve the stability and gas sorption performance of a metal-organic framework via in situ incorporating the size-matching molecular building blocks","Chem. Commun.","2016","52","","8413","","","","x-ray","1.54184","CuKα","","0.0987","0.0968","","","0.2788","0.2881","","","","","","1.106","","","","has coordinates,has disorder","192274","2020-10-21","18:00:00",""
"7119826","18.2623","0.0006","18.2623","0.0006","39.6543","0.0013","90","","90","","120","","11453.3","0.7","296","2","296.15","","","","","","","","","5","R -3 m","-R 3 2""","166","","","","- C193.68 H54 Cu18 N18 O117 -","- C193.5 H54 Cu18 N18 O116.999 -","- C193.5 H54 Cu18 N18 O116.999 -","1","","","Xiaoping Zhang; Zhenjie Zhang; Jake Boissonnault; Seth M. Cohen","Design and synthesis of squaramide-based MOFs as efficient MOF-supported hydrogen-bonding organocatalysts","Chem.Commun.","2016","52","","8585","","","","","0.71073","MOKα","","0.0784","0.0689","","","0.2158","0.2267","","","","","","1.133","","","","has coordinates,has disorder","194264","2020-10-21","18:00:00",""
"7119827","18.816","0.002","18.816","0.002","38.416","0.005","90","","90","","120","","11779","2","296","2","296.15","","","","","","","","","5","R -3 m","-R 3 2""","166","","","","- C180 H54 N18 O108 Zn18 -","- C180 H54 N18 O108 Zn18 -","- C180 H54 N18 O108 Zn18 -","1","","","Xiaoping Zhang; Zhenjie Zhang; Jake Boissonnault; Seth M. Cohen","Design and synthesis of squaramide-based MOFs as efficient MOF-supported hydrogen-bonding organocatalysts","Chem.Commun.","2016","52","","8585","","","","","0.71073","MoKα","","0.0901","0.07","","","0.1823","0.19","","","","","","1.184","","","","has coordinates,has disorder","194264","2020-10-21","18:00:00",""
"7119828","8.562","0.003","8.839","0.003","16.904","0.005","82.238","0.007","89.592","0.007","78.252","0.004","1240.7","0.7","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C19 H21 B Cd N9 O4 -","- C19 H21 B Cd N9 O4 -","- C38 H42 B2 Cd2 N18 O8 -","2","1","","Min Liu; Shumei Chen; Tian Wen; Jian Zhang","Encapsulation of LnIII ions/Ag nanoparticles within Cd(II) boron imidazolate frameworks for tuning luminescence emission","Chem.Commun.","2016","52","","8577","","","","","0.71073","MoKα","","0.0482","0.0416","","","0.143","0.1486","","","","","","1.106","","","","has coordinates","194265","2020-10-21","18:00:00",""
"7119829","28.187","0.01","14.002","0.004","27.657","0.01","90","","116.228","0.006","90","","9792","6","293.15","","293.15","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C42 H31 B2 Cd3 N16 O12 -","- C42 H31 B2 Cd3 N16 O12 -","- C336 H248 B16 Cd24 N128 O96 -","8","1","","Min Liu; Shumei Chen; Tian Wen; Jian Zhang","Encapsulation of LnIII ions/Ag nanoparticles within Cd(II) boron imidazolate frameworks for tuning luminescence emission","Chem.Commun.","2016","52","","8577","","","","","0.71073","MoKα","","0.0464","0.0368","","","0.0955","0.1055","","","","","","1.101","","","","has coordinates","194265","2020-10-21","18:00:00",""
"7119830","17.4535","0.0004","8.0246","0.0002","17.7712","0.0004","90","","97.847","0.002","90","","2465.68","0.1","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C52 H68 N8 O8 -","- C52 H67.86 N8 O8 -","- C104 H135.72 N16 O16 -","2","0.5","","Juhoon Lee; Nolan W. Waggoner; Luis Polanco; Ga Rim You; Vincent M. Lynch; Sung Kuk Kim; Simon M. Humphrey; Jonathan L. Sessler","Ship in a breakable bottle: fluoride-induced release of an organic molecule from a Pr(III)-linked molecular cage","Chem.Commun.","2016","52","","8514","","","","","1.54184","CuKα","","0.0668","0.0483","","","0.1235","0.1383","","","","","","1.012","","","","has coordinates,has disorder","194266","2020-10-21","18:00:00",""
"7119831","20.6712","0.0004","21.0386","0.0005","21.6281","0.0005","62.477","0.002","79.558","0.002","67.086","0.002","7683.2","0.3","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C286 H338 N38 O40 Pr4 -","- C266 H309 N36 O39 Pr4 -","- C266 H309 N36 O39 Pr4 -","1","0.5","","Juhoon Lee; Nolan W. Waggoner; Luis Polanco; Ga Rim You; Vincent M. Lynch; Sung Kuk Kim; Simon M. Humphrey; Jonathan L. Sessler","Ship in a breakable bottle: fluoride-induced release of an organic molecule from a Pr(III)-linked molecular cage","Chem.Commun.","2016","52","","8514","","","","","1.54184","CuKα","","0.0733","0.0555","","","0.1507","0.1704","","","","","","1.045","","","","has coordinates,has disorder","194266","2020-10-21","18:00:00",""
"7119832","28.896","0.0009","8.6749","0.0003","14.2513","0.0004","90","","116.056","0.001","90","","3209.29","0.18","100","2","100","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C60 H68 N16 O4 Pr2 -","- C52.02 H47.38 N3.34 O15.34 Pr2 -","- C104.04 H94.76 N6.68 O30.68 Pr4 -","2","0.5","","Juhoon Lee; Nolan W. Waggoner; Luis Polanco; Ga Rim You; Vincent M. Lynch; Sung Kuk Kim; Simon M. Humphrey; Jonathan L. Sessler","Ship in a breakable bottle: fluoride-induced release of an organic molecule from a Pr(III)-linked molecular cage","Chem.Commun.","2016","52","","8514","","","","","0.71073","MoKα","","0.0391","0.0322","","","0.0805","0.0828","","","","","","1.033","","","","has coordinates,has disorder","194266","2020-10-21","18:00:00",""
"7119833","14.2787","0.0009","9.4954","0.0004","14.5637","0.0008","90","","98.003","0.005","90","","1955.34","0.18","290","2","290","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","(E)-ethyl 4-(naphthalen-2-yl)-2-nitro-4-oxo-3-(piperidin-1-yl)but-2-enoate","","- C21 H22 N2 O5 -","- C21 H22 N2 O5 -","- C84 H88 N8 O20 -","4","1","","Yanan Li; Huihui Gao; Zhenlei Zhang; Peng Qian; Meixiang Bi; Zhenggen Zha; Zhiyong Wang","Electrochemical synthesis of alpha-enaminones from aryl ketones","Chem.Commun.","2016","52","","8600","","","","","0.71073","MoKα","","0.099","0.0575","","","0.1511","0.2113","","","","","","1.067","","","","has coordinates","194267","2020-10-21","18:00:00",""
"7120018","8.58","0.0003","13.5581","0.0005","13.8786","0.0005","85.002","0.003","87.556","0.003","85.019","0.003","1601.26","0.1","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C29 H46 N4 O2 S4 -","- C29 H46 N4 O2 S4 -","- C58 H92 N8 O4 S8 -","2","1","","Luyi Zong; Yujun Xie; Can Wang; Jian-Rong Li; Qianqian Li; Zhen Li","From ACQ to AIE: the suppression of the strong pi-pi interaction of naphthalene diimide derivatives through the adjustment of their flexible chains","Chem.Commun.","2016","52","","11496","","","","","0.71073","MoKα","","0.0608","0.0517","","","0.1398","0.1537","","","","","","1.081","","","","has coordinates,has disorder","195781","2020-10-21","18:00:00",""
"7121007","14.0664","0.0012","27.41","0.002","9.4754","0.0007","90","","107.434","0.005","90","","3485.5","0.5","200","2","200","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C37 H43 N3 O3 S2 -","- C37 H43 N3 O3 S2 -","- C148 H172 N12 O12 S8 -","4","1","","Chris L. Vonnegut; Airlia M. Shonkwiler; Lev N. Zakharov; Michael M. Haley; Darren W. Johnson","Harnessing solid-state packing for selective detection of chloride in a macrocyclic anionophore","Chemical Communications","2016","52","","9506","9509","10.1039/c6cc03795j","","","1.54178","CuKα","","0.0801","0.0556","","","0.1365","0.1504","","","","","","1.034","","","","has coordinates","204311","2020-10-21","18:00:00",""
"7121008","20.7737","0.0008","31.7155","0.0012","24.6016","0.001","90","","98.088","0.003","90","","16047.5","1.1","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C38.25 H44.5 Cl3.5 N3 O2 S2 -","- C38 H44 Cl3 N3 O2 S2 -","- C608 H704 Cl48 N48 O32 S32 -","16","4","","Chris L. Vonnegut; Airlia M. Shonkwiler; Lev N. Zakharov; Michael M. Haley; Darren W. Johnson","Harnessing solid-state packing for selective detection of chloride in a macrocyclic anionophore","Chemical Communications","2016","52","","9506","9509","10.1039/c6cc03795j","","","1.54178","CuKα","","0.1299","0.1091","","","0.328","0.353","","","","","","1.007","","","","has coordinates,has disorder","204312","2020-10-21","18:00:00",""
"7121015","9.6825","0.0004","10.3943","0.0005","11.758","0.0006","113.733","0.0012","102.543","0.0012","90.479","0.0012","1051.34","0.09","100","","100","","","","","","","","","7","P -1","-P 1","2","","","","- C13 H54 N2 Na2 Ni O34 W6 -","- C13 H54 N2 Na2 Ni O34 W6 -","- C13 H54 N2 Na2 Ni O34 W6 -","1","0.5","","Nadiia I. Gumerova; Alexander Roller; Annette Rompel","[Ni(OH)3W6O18(OCH2)3CCH2OH]4-: the first tris-functionalized Anderson-type heteropolytungstate","Chemical Communications","2016","52","","9263","9266","10.1039/c6cc04326g","","","0.71073","MoKα","","0.0179","0.0179","","","0.0457","0.0457","","","","","","1.32","","","","has coordinates,has disorder","204351","2020-10-21","18:00:00",""
"7124582","9.4917","0.0007","18.4515","0.0014","16.3576","0.0012","90","","100.11","0.002","90","","2820.3","0.4","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","DAC-COPh-Cl-HCl Cation","","","- C31 H34 Cl2 N2 O3 -","- C31 H34 Cl2 N2 O3 -","- C124 H136 Cl8 N8 O12 -","4","1","","Deardorff, Cassie L.; Eric Sikma, R.; Rhodes, Christopher P.; Hudnall, Todd W.","Carbene-derived α-acyl formamidinium cations: organic molecules with readily tunable multiple redox processes.","Chemical communications (Cambridge, England)","2016","52","58","9024","9027","10.1039/c5cc06322a","","","0.71075","MoKα","","0.0392","0.0355","","","0.0844","0.0868","","","","","","1.011","","","","has coordinates","233415","2020-10-21","18:00:00",""
"7124583","10.4748","0.001","17.8218","0.0017","15.4388","0.0014","90","","105.179","0.007","90","","2781.6","0.5","223","2","223","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","MAAC-COPh-Cl Cation","","","- C31 H35 Cl N2 O2 -","- C31 H35 Cl N2 O2 -","- C124 H140 Cl4 N8 O8 -","4","1","","Deardorff, Cassie L.; Eric Sikma, R.; Rhodes, Christopher P.; Hudnall, Todd W.","Carbene-derived α-acyl formamidinium cations: organic molecules with readily tunable multiple redox processes.","Chemical communications (Cambridge, England)","2016","52","58","9024","9027","10.1039/c5cc06322a","","","0.71075","MoKα","","0.1093","0.057","","","0.0931","0.1093","","","","","","1.008","","","","has coordinates","233415","2020-10-21","18:00:00",""
"7124584","11.4742","0.0018","11.8275","0.0019","12.891","0.002","81.869","0.006","87.309","0.006","88.774","0.006","1729.8","0.5","223","2","223","2","","","","","","","","5","P -1","-P 1","2","IPr-COPh-Cl Cation","","","- C35 H43 Cl3 N2 O -","- C35 H43 Cl3 N2 O -","- C70 H86 Cl6 N4 O2 -","2","1","","Deardorff, Cassie L.; Eric Sikma, R.; Rhodes, Christopher P.; Hudnall, Todd W.","Carbene-derived α-acyl formamidinium cations: organic molecules with readily tunable multiple redox processes.","Chemical communications (Cambridge, England)","2016","52","58","9024","9027","10.1039/c5cc06322a","","","0.71075","MoKα","","0.1924","0.0786","","","0.1302","0.1685","","","","","","1.004","","","","has coordinates","233415","2020-10-21","18:00:00",""
"7124585","11.8892","0.001","16.2557","0.0014","13.7767","0.0012","90","","96.327","0.007","90","","2646.4","0.4","223","2","223","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","DAC-COPh Radical","","","- C31 H33 N2 O3 -","- C31 H33 N2 O3 -","- C124 H132 N8 O12 -","4","1","","Deardorff, Cassie L.; Eric Sikma, R.; Rhodes, Christopher P.; Hudnall, Todd W.","Carbene-derived α-acyl formamidinium cations: organic molecules with readily tunable multiple redox processes.","Chemical communications (Cambridge, England)","2016","52","58","9024","9027","10.1039/c5cc06322a","","","0.71075","MoKα","","0.0788","0.0508","","","0.0875","0.0984","","","","","","1.004","","","","has coordinates","233415","2020-10-21","18:00:00",""
"7124586","9.3608","0.0013","11.0691","0.0002","13.0914","0.0009","90","","110.3","0.01","90","","1272.2","0.2","85","2","85","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Mercaptopurine Hemihydrate","","- C10 H10 N8 O S2 -","- C10 H10 N8 O S2 -","- C40 H40 N32 O4 S8 -","4","1","","Kersten, Kortney M.; Matzger, Adam J.","Improved pharmacokinetics of mercaptopurine afforded by a thermally robust hemihydrate.","Chemical communications (Cambridge, England)","2016","52","30","5281","5284","10.1039/c6cc00424e","","","1.54178","CuKα","","0.042","0.0391","","","0.1132","0.1154","","","","","","1.093","","","","has coordinates","233977","2020-10-21","18:00:00",""
"7124587","11.0573","0.0012","25.485","0.003","28.816","0.003","90","","90","","90","","8120.2","1.6","296","2","296","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C54 H40 N2 -","- C54 H40 N2 -","- C432 H320 N16 -","8","1","","Dai, Shengyu; Sui, Xuelin; Chen, Changle","Synthesis of high molecular weight polyethylene using iminopyridyl nickel catalysts.","Chemical communications (Cambridge, England)","2016","52","58","9113","9116","10.1039/c6cc00457a","","","0.71073","MoKα","","0.1135","0.0493","","","0.1173","0.1457","","","","","","1.02","","","","has coordinates","233979","2020-10-21","18:00:00",""
"7124588","11.398","0.006","11.272","0.005","16.887","0.008","90","","98.34","0.007","90","","2146.7","1.8","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C25 H22 N2 O4 -","- C25 H22 N2 O4 -","- C100 H88 N8 O16 -","4","1","","Wang, Nan-Nan; Hao, Wen-Juan; Zhang, Tian-Shu; Li, Guigen; Wu, Ya-Nan; Tu, Shu-Jiang; Jiang, Bo","Metal-free C(sp(3))-H functionalization: oxidative carbo-oxygenation of α-diazo carbonyls via radical dediazotization.","Chemical communications (Cambridge, England)","2016","52","29","5144","5147","10.1039/c6cc00816j","","","0.71073","MoKα","","0.1179","0.0468","","","0.086","0.1049","","","","","","1.014","","","","has coordinates","233981","2020-10-21","18:00:00",""
"7124589","14.498","0.002","5.9876","0.0008","14.857","0.002","90","","103.208","0.007","90","","1255.6","0.3","293","","293","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C14 H16 O3 -","- C14 H16 O3 -","- C56 H64 O12 -","4","1","","Bankar, Siddheshwar K.; Mathew, Jopaul; Ramasastry, S. S. V.","Synthesis of benzofurans via an acid catalysed transacetalisation/Fries-type O →C rearrangement/Michael addition/ring-opening aromatisation cascade of β-pyrones.","Chemical communications (Cambridge, England)","2016","52","32","5569","5572","10.1039/c6cc01016d","","","0.71075","MoKα","","0.0688","0.0546","","","0.1515","0.1671","","","","","","1.0333","","","","has coordinates","233984","2020-10-21","18:00:00",""
"7124590","7.84","0.002","11.999","0.003","15.345","0.002","102.86","0.03","98.09","0.03","90.08","0.04","1392.5","0.6","","","","","","","","","","","","4","P -1","-P 1","2","","","","- C28 H30 Br2 O6 -","- C28 H30 Br2 O6 -","- C56 H60 Br4 O12 -","2","1","","Bankar, Siddheshwar K.; Mathew, Jopaul; Ramasastry, S. S. V.","Synthesis of benzofurans via an acid catalysed transacetalisation/Fries-type O →C rearrangement/Michael addition/ring-opening aromatisation cascade of β-pyrones.","Chemical communications (Cambridge, England)","2016","52","32","5569","5572","10.1039/c6cc01016d","","","0.71075","MoKα","","0.1231","0.077","","","0.2032","0.2399","","","","","","1.0101","","","","has coordinates","233984","2020-10-21","18:00:00",""
"7124591","8.931","0.004","10.538","0.005","28.633","0.013","90","","90","","90","","2695","2","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C27 H30 N2 O6 S -","- C27 H30 N2 O6 S -","- C108 H120 N8 O24 S4 -","4","1","","Zhang, Minmin; Yu, Shuowen; Hu, Fangzhi; Liao, Yijun; Liao, Lihua; Xu, Xiaoying; Yuan, Weicheng; Zhang, Xiaomei","Highly enantioselective [3+2] coupling of cyclic enamides with quinone monoimines promoted by a chiral phosphoric acid.","Chemical communications (Cambridge, England)","2016","52","56","8757","8760","10.1039/c6cc01200k","","","0.71073","MoKα","","0.0472","0.0416","","","0.1065","0.1094","","","","","","1.063","","","","has coordinates","233986","2020-10-21","18:00:00",""
"7124592","13.8539","0.0009","7.816","0.0005","15.243","0.001","90","","115.863","0.001","90","","1485.22","0.17","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C15 H24 B N O2 -","- C15 H24 B N O2 -","- C60 H96 B4 N4 O8 -","4","1","","Légaré, Marc-André; Rochette, Étienne; Légaré Lavergne, Julien; Bouchard, Nicolas; Fontaine, Frédéric-Georges","Bench-stable frustrated Lewis pair chemistry: fluoroborate salts as precatalysts for the C-H borylation of heteroarenes.","Chemical communications (Cambridge, England)","2016","52","31","5387","5390","10.1039/c6cc01267a","","","0.71073","MoKα","","0.0537","0.0427","","","0.1166","0.1263","","","","","","1.015","","","","has coordinates","233988","2020-10-21","18:00:00",""
"7124593","7.6884","0.0007","13.7157","0.0012","15.1094","0.0013","90","","98.435","0.001","90","","1576.1","0.2","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C16 H26 B F2 N O -","- C16 H26 B F2 N O -","- C64 H104 B4 F8 N4 O4 -","4","1","","Légaré, Marc-André; Rochette, Étienne; Légaré Lavergne, Julien; Bouchard, Nicolas; Fontaine, Frédéric-Georges","Bench-stable frustrated Lewis pair chemistry: fluoroborate salts as precatalysts for the C-H borylation of heteroarenes.","Chemical communications (Cambridge, England)","2016","52","31","5387","5390","10.1039/c6cc01267a","","","0.71073","MoKα","","0.0595","0.0447","","","0.117","0.128","","","","","","1.03","","","","has coordinates","233988","2020-10-21","18:00:00",""
"7124594","14.8666","0.0009","7.633","0.0005","14.4543","0.0009","90","","115.531","0.001","90","","1480.06","0.16","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H23 B F3 N -","- C15 H23 B F3 N -","- C60 H92 B4 F12 N4 -","4","1","","Légaré, Marc-André; Rochette, Étienne; Légaré Lavergne, Julien; Bouchard, Nicolas; Fontaine, Frédéric-Georges","Bench-stable frustrated Lewis pair chemistry: fluoroborate salts as precatalysts for the C-H borylation of heteroarenes.","Chemical communications (Cambridge, England)","2016","52","31","5387","5390","10.1039/c6cc01267a","","","0.71073","MoKα","","0.0659","0.0442","","","0.1359","0.1535","","","","","","1.003","","","","has coordinates","233988","2020-10-21","18:00:00",""
"7124595","11.6015","0.0019","12.822","0.002","13.428","0.002","90","","90","","90","","1997.5","0.5","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","6MACdippHCl","","","- C21 H32 Cl N O -","- C21 H32 Cl N O -","- C84 H128 Cl4 N4 O4 -","4","1","","McCarty, Zachary R.; Lastovickova, Dominika N.; Bielawski, Christopher W.","A cyclic (alkyl)(amido)carbene: synthesis, study and utility as a desulfurization reagent.","Chemical communications (Cambridge, England)","2016","52","31","5447","5450","10.1039/c6cc01376g","","","0.71075","MoKα","","0.0441","0.0406","","","0.1071","0.1096","","","","","","1.006","","","","has coordinates","233990","2020-10-21","18:00:00",""
"7124596","8.9044","0.0005","11.5431","0.0006","17.771","0.0008","90","","92.232","0.003","90","","1825.2","0.16","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","6MACdippCHinsertion","","","- C21 H31 N O -","- C21 H31 N O -","- C84 H124 N4 O4 -","4","1","","McCarty, Zachary R.; Lastovickova, Dominika N.; Bielawski, Christopher W.","A cyclic (alkyl)(amido)carbene: synthesis, study and utility as a desulfurization reagent.","Chemical communications (Cambridge, England)","2016","52","31","5447","5450","10.1039/c6cc01376g","","","0.71073","MoKα","","0.0464","0.0389","","","0.0984","0.1093","","","","","","1.006","","","","has coordinates","233990","2020-10-21","18:00:00",""
"7124597","8.6897","0.0005","29.0766","0.0018","10.8005","0.0007","90","","106.809","0.003","90","","2612.3","0.3","120","2","120","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","6MACdippCyclopropeneAdduct","","","- C31 H41 N O -","- C31 H41 N O -","- C124 H164 N4 O4 -","4","1","","McCarty, Zachary R.; Lastovickova, Dominika N.; Bielawski, Christopher W.","A cyclic (alkyl)(amido)carbene: synthesis, study and utility as a desulfurization reagent.","Chemical communications (Cambridge, England)","2016","52","31","5447","5450","10.1039/c6cc01376g","","","0.71073","MoKα","","0.055","0.0433","","","0.1186","0.1394","","","","","","1.006","","","","has coordinates","233990","2020-10-21","18:00:00",""
"7124598","15.8695","0.0019","11.8315","0.0013","14.6016","0.0017","90","","96.061","0.003","90","","2726.3","0.5","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","6MAC_IrCODCl","","","- C29 H43 Cl Ir N O -","- C29 H43 Cl Ir N O -","- C116 H172 Cl4 Ir4 N4 O4 -","4","1","","McCarty, Zachary R.; Lastovickova, Dominika N.; Bielawski, Christopher W.","A cyclic (alkyl)(amido)carbene: synthesis, study and utility as a desulfurization reagent.","Chemical communications (Cambridge, England)","2016","52","31","5447","5450","10.1039/c6cc01376g","","","0.71075","MoKα","","0.0351","0.0328","","","0.0897","0.0922","","","","","","1.006","","","","has coordinates","233990","2020-10-21","18:00:00",""
"7124599","19.8011","0.0002","14.62079","0.00012","21.27781","0.00015","90","","90","","90","","6160.09","0.09","100","2","100","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","[Sm(hfac)3(boaDTDA)]n","","","- C23 H7 F18 N3 O7 S2 Sm -","- C23 H7 F18 N3 O7 S2 Sm -","- C184 H56 F144 N24 O56 S16 Sm8 -","8","1","","Fatila, Elisabeth M.; Maahs, Adam C.; Mills, Michelle B.; Rouzières, Mathieu; Soldatov, Dmitriy V.; Clérac, Rodolphe; Preuss, Kathryn E.","Ferromagnetic ordering of -[Sm(iii)-radical]n- coordination polymers.","Chemical communications (Cambridge, England)","2016","52","31","5414","5417","10.1039/c6cc01548d","","","0.71073","MoKα","","0.0723","0.0426","","","0.0885","0.1041","","","","","","1.168","","","","has coordinates,has disorder","233994","2020-10-21","18:00:00",""
"7124600","19.9769","0.0002","14.811","0.00016","21.41308","0.00019","90","","90","","90","","6335.66","0.11","200","2","200","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","[Sm(hfac)3(boaDTDA)]n","","","- C23 H7 F18 N3 O7 S2 Sm -","- C23 H7 F18 N3 O7 S2 Sm -","- C184 H56 F144 N24 O56 S16 Sm8 -","8","1","","Fatila, Elisabeth M.; Maahs, Adam C.; Mills, Michelle B.; Rouzières, Mathieu; Soldatov, Dmitriy V.; Clérac, Rodolphe; Preuss, Kathryn E.","Ferromagnetic ordering of -[Sm(iii)-radical]n- coordination polymers.","Chemical communications (Cambridge, England)","2016","52","31","5414","5417","10.1039/c6cc01548d","","","0.71073","MoKα","","0.0596","0.0369","","","0.0974","0.1108","","","","","","1.106","","","","has coordinates,has disorder","233994","2020-10-21","18:00:00",""
"7124601","20.0503","0.0002","14.9396","0.0002","21.463","0.0002","90","","90","","90","","6429.1","0.12","250","2","250","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","[Sm(hfac)3(boaDTDA)]n","","","- C23 H7 F18 N3 O7 S2 Sm -","- C23 H7 F18 N3 O7 S2 Sm -","- C184 H56 F144 N24 O56 S16 Sm8 -","8","1","","Fatila, Elisabeth M.; Maahs, Adam C.; Mills, Michelle B.; Rouzières, Mathieu; Soldatov, Dmitriy V.; Clérac, Rodolphe; Preuss, Kathryn E.","Ferromagnetic ordering of -[Sm(iii)-radical]n- coordination polymers.","Chemical communications (Cambridge, England)","2016","52","31","5414","5417","10.1039/c6cc01548d","","","0.71073","MoKα","","0.0739","0.0412","","","0.0997","0.1179","","","","","","1.099","","","","has coordinates,has disorder","233994","2020-10-21","18:00:00",""
"7124602","20.1162","0.0002","15.14532","0.00019","21.5437","0.0002","90","","90","","90","","6563.64","0.12","300","2","300","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","[Sm(hfac)3(boaDTDA)]n","","","- C23 H7 F18 N3 O7 S2 Sm -","- C23 H7 F18 N3 O7 S2 Sm -","- C184 H56 F144 N24 O56 S16 Sm8 -","8","1","","Fatila, Elisabeth M.; Maahs, Adam C.; Mills, Michelle B.; Rouzières, Mathieu; Soldatov, Dmitriy V.; Clérac, Rodolphe; Preuss, Kathryn E.","Ferromagnetic ordering of -[Sm(iii)-radical]n- coordination polymers.","Chemical communications (Cambridge, England)","2016","52","31","5414","5417","10.1039/c6cc01548d","","","0.71073","MoKα","","0.069","0.0409","","","0.1042","0.1222","","","","","","1.094","","","","has coordinates,has disorder","233994","2020-10-21","18:00:00",""
"7124603","19.85308","0.00016","14.68673","0.0001","21.32145","0.00013","90","","90","","90","","6216.84","0.08","150","2","150","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","[Sm(hfac)3(boaDTDA)]n","","","- C23 H7 F18 N3 O7 S2 Sm -","- C23 H7 F18 N3 O7 S2 Sm -","- C184 H56 F144 N24 O56 S16 Sm8 -","8","1","","Fatila, Elisabeth M.; Maahs, Adam C.; Mills, Michelle B.; Rouzières, Mathieu; Soldatov, Dmitriy V.; Clérac, Rodolphe; Preuss, Kathryn E.","Ferromagnetic ordering of -[Sm(iii)-radical]n- coordination polymers.","Chemical communications (Cambridge, England)","2016","52","31","5414","5417","10.1039/c6cc01548d","","","0.71073","MoKα","","0.0471","0.0268","","","0.0557","0.0626","","","","","","1.084","","","","has coordinates,has disorder","233994","2020-10-21","18:00:00",""
"7124604","12.4093","0.0004","13.1987","0.0002","18.3557","0.0004","79.4323","0.0017","76.229","0.002","84.6926","0.0019","2866.71","0.12","122.9","0.2","123","1","","","","","","","","5","P -1","-P 1","2","{[CpNi(IMes)]2P4}1.5(tol)","1","","- C62.5 H70 N4 Ni2 P4 -","- C62.5 H70 N4 Ni2 P4 -","- C125 H140 N8 Ni4 P8 -","2","1","","Pelties, Stefan; Ehlers, Andreas W.; Wolf, Robert","Insertion of phenyl isothiocyanate into a P-P bond of a nickel-substituted bicyclo[1.1.0]tetraphosphabutane.","Chemical communications (Cambridge, England)","2016","52","39","6601","6604","10.1039/c6cc01572g","","x-ray","1.54184","CuKα","","0.0426","0.0379","","","0.0966","0.1006","","","","","","1.03","","","","has coordinates,has disorder","233995","2020-10-21","18:00:00",""
"7124605","13.6251","0.0004","14.0607","0.0003","19.7007","0.0005","99.8667","0.0019","99.819","0.002","98.0922","0.0019","3607.33","0.17","122.8","0.7","123","1","","","","","","","","6","P -1","-P 1","2","[CpNi(IMes)]2(P4SCNPh)](tol)2.5","2a","","- C76.5 H83 N5 Ni2 P4 S -","- C76.5 H83 N5 Ni2 P4 S -","- C153 H166 N10 Ni4 P8 S2 -","2","1","","Pelties, Stefan; Ehlers, Andreas W.; Wolf, Robert","Insertion of phenyl isothiocyanate into a P-P bond of a nickel-substituted bicyclo[1.1.0]tetraphosphabutane.","Chemical communications (Cambridge, England)","2016","52","39","6601","6604","10.1039/c6cc01572g","","x-ray","1.54184","CuKα","","0.0845","0.0753","","","0.2095","0.2185","","","","","","1.05","","","","has coordinates,has disorder","233995","2020-10-21","18:00:00",""
"7124606","12.4533","0.0002","15.594","0.0003","19.3068","0.0003","104.227","0.0014","103.128","0.0014","106.371","0.0016","3305.15","0.11","123.01","0.1","123","1","","","","","","","","6","P -1","-P 1","2","[CpNi(IMes)]2(P4C(S)NPh)](tol)2","2b","","- C73 H79 N5 Ni2 P4 S -","- C73 H79 N5 Ni2 P4 S -","- C146 H158 N10 Ni4 P8 S2 -","2","1","","Pelties, Stefan; Ehlers, Andreas W.; Wolf, Robert","Insertion of phenyl isothiocyanate into a P-P bond of a nickel-substituted bicyclo[1.1.0]tetraphosphabutane.","Chemical communications (Cambridge, England)","2016","52","39","6601","6604","10.1039/c6cc01572g","","x-ray","1.54184","CuKα","","0.0721","0.0574","","","0.1647","0.1792","","","","","","1.032","","","","has coordinates,has disorder","233995","2020-10-21","18:00:00",""
"7124607","14.3392","0.0007","22.0014","0.0011","16.1601","0.0009","90","","107.299","0.002","90","","4867.6","0.4","149","2","149","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C51 H38 Al B F20 N2 -","- C51 H38 Al B F20 N2 -","- C204 H152 Al4 B4 F80 N8 -","4","1","","Cao, Levy L.; Daley, Erika; Johnstone, Timothy C.; Stephan, Douglas W.","Cationic aluminum hydride complexes: reactions of carbene-alane adducts with trityl-borate.","Chemical communications (Cambridge, England)","2016","52","30","5305","5307","10.1039/c6cc01585a","","","0.71073","MoKα","","0.1286","0.0499","","","0.0917","0.1118","","","","","","0.998","","","","has coordinates","233997","2020-10-21","18:00:00",""
"7124608","11.8284","0.001","11.5141","0.001","12.6491","0.0011","90","","113.135","0.004","90","","1584.2","0.2","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C17 H19 Al N2 -","- C17 H19 Al N2 -","- C68 H76 Al4 N8 -","4","1","","Cao, Levy L.; Daley, Erika; Johnstone, Timothy C.; Stephan, Douglas W.","Cationic aluminum hydride complexes: reactions of carbene-alane adducts with trityl-borate.","Chemical communications (Cambridge, England)","2016","52","30","5305","5307","10.1039/c6cc01585a","","","0.71073","MoKα","","0.0632","0.0402","","","0.0901","0.1003","","","","","","1.011","","","","has coordinates","233997","2020-10-21","18:00:00",""
"7124609","12.4696","0.001","13.5438","0.001","23.9484","0.0019","89.208","0.004","88.213","0.004","79.504","0.004","3974.8","0.5","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C88 H38 Al B2 Br F40 N4 -","- C88 H38 Al B2 Br F40 N4 -","- C176 H76 Al2 B4 Br2 F80 N8 -","2","1","","Cao, Levy L.; Daley, Erika; Johnstone, Timothy C.; Stephan, Douglas W.","Cationic aluminum hydride complexes: reactions of carbene-alane adducts with trityl-borate.","Chemical communications (Cambridge, England)","2016","52","30","5305","5307","10.1039/c6cc01585a","","","0.71073","MoKα","","0.12","0.074","","","0.2112","0.2421","","","","","","1.028","","","","has coordinates","233997","2020-10-21","18:00:00",""
"7124610","5.9605","0.0006","32.909","0.003","7.1915","0.0007","90","","91.991","0.003","90","","1409.8","0.2","90","0.2","90","0.2","","","","","","","","4","P 1 21 1","P 2yb","4","C17H15BrO2","(Z)-(3-(4-Bromobenzylidene)-2-methyl-2,3-dihydrobenzofuran-2-yl)methanol","","- C17 H15 Br O2 -","- C17 H15 Br O2 -","- C68 H60 Br4 O8 -","4","2","","Kondoh, Azusa; Tran, Hoa Thi Quynh; Kimura, Kyoko; Terada, Masahiro","Enantioselective intramolecular cyclization of alkynyl esters catalyzed by a chiral Brønsted base.","Chemical communications (Cambridge, England)","2016","52","33","5726","5729","10.1039/c6cc01690a","","","1.54178","CuKα","","0.0226","0.0225","","","0.0575","0.0575","","","","","","1.075","","","","has coordinates","233999","2020-10-21","18:00:00",""
"7124611","17.181","0.002","26.757","0.003","21.323","0.003","90","","96.526","0.004","90","","9739","2","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C29 H27 N3 O3 -","- C29 H27 N3 O3 -","- C464 H432 N48 O48 -","16","4","","Selvaraju, Manikandan; Ye, Tzuen-Yang; Li, Chia-Hsin; Ho, Pei-Heng; Sun, Chung-Ming","Copper catalyzed aerobic oxidative cyclization and ketonization: one pot synthesis of benzoimidazo[1,2-a]imidazolones.","Chemical communications (Cambridge, England)","2016","52","39","6621","6624","10.1039/c6cc01828a","","","0.71073","MoKα","","0.2285","0.0937","","","0.2148","0.3196","","","","","","0.979","","","","has coordinates","234000","2020-10-21","18:00:00",""
"7124612","11.6428","0.001","13.6677","0.0012","14.1795","0.0012","84.481","0.003","68.11","0.002","72.003","0.003","1990.8","0.3","120","2","120","","","","","","","","","6","P -1","-P 1","2","","","","- C36 H44 Cl6 Cu N4 O4 -","- C36 H44 Cl6 Cu N4 O4 -","- C72 H88 Cl12 Cu2 N8 O8 -","2","1","","Gautam, R.; Chang, T. M.; Astashkin, A. V.; Lincoln, K. M.; Tomat, E.","Propentdyopent: the scaffold of a heme metabolite as an electron reservoir in transition metal complexes.","Chemical communications (Cambridge, England)","2016","52","39","6585","6588","10.1039/c6cc01961g","","x-ray","0.71073","MoKα","","0.1004","0.0556","","","0.1305","0.1517","","","","","","1.086","","","","has coordinates","234005","2020-10-21","18:00:00",""
"7124613","11.175","0.003","11.683","0.003","14.705","0.003","92.05","0.005","105.445","0.005","110.322","0.006","1717.8","0.7","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C37 H44 N4 O4 Zn -","- C37 H44 N4 O4 Zn -","- C74 H88 N8 O8 Zn2 -","2","1","","Gautam, R.; Chang, T. M.; Astashkin, A. V.; Lincoln, K. M.; Tomat, E.","Propentdyopent: the scaffold of a heme metabolite as an electron reservoir in transition metal complexes.","Chemical communications (Cambridge, England)","2016","52","39","6585","6588","10.1039/c6cc01961g","","x-ray","0.71073","MoKα","","0.0638","0.0379","","","0.0726","0.0808","","","","","","1.009","","","","has coordinates,has disorder","234005","2020-10-21","18:00:00",""
"7124614","17.3525","0.0011","13.834","0.0009","14.8976","0.0009","90","","102.894","0.003","90","","3486.1","0.4","150","","150","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C35 H44 Cl2 Co N4 O4 -","- C35 H44 Cl2 Co N4 O4 -","- C140 H176 Cl8 Co4 N16 O16 -","4","0.5","","Gautam, R.; Chang, T. M.; Astashkin, A. V.; Lincoln, K. M.; Tomat, E.","Propentdyopent: the scaffold of a heme metabolite as an electron reservoir in transition metal complexes.","Chemical communications (Cambridge, England)","2016","52","39","6585","6588","10.1039/c6cc01961g","","x-ray","0.71073","MoKα","","0.0755","0.0476","","","0.1055","0.116","","","","","","1.034","","","","has coordinates,has disorder","234005","2020-10-21","18:00:00",""
"7124615","12.2982","0.0007","14.0284","0.0007","14.0382","0.0008","76.426","0.002","67.944","0.002","64.685","0.002","2021.2","0.2","100","","99.69","","","","","","","","","7","P -1","-P 1","2","","","","- C36 H42 Cl6 D2 N4 Ni O4 -","- C36 H42 Cl6 D2 N4 Ni O4 -","- C72 H84 Cl12 D4 N8 Ni2 O8 -","2","1","","Gautam, R.; Chang, T. M.; Astashkin, A. V.; Lincoln, K. M.; Tomat, E.","Propentdyopent: the scaffold of a heme metabolite as an electron reservoir in transition metal complexes.","Chemical communications (Cambridge, England)","2016","52","39","6585","6588","10.1039/c6cc01961g","","x-ray","0.71073","MoKα","","0.0849","0.0503","","","0.101","0.1101","","","","","","1.054","","","","has coordinates","234005","2020-10-21","18:00:00",""
"7124616","32.8826","0.0006","30.1786","0.0006","40.0732","0.0008","90","","96.498","0.001","90","","39511.2","1.3","100","2","100","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C342 H280 B16 Co8 F64 N72 O3.5 P -","- C342 H279 B12 Co8 F48 N72 O3.5 P -","- C1368 H1116 B48 Co32 F192 N288 O14 P4 -","4","0.5","","Taylor, Christopher G. P.; Piper, Jerico R.; Ward, Michael D.","Binding of chemical warfare agent simulants as guests in a coordination cage: contributions to binding and a fluorescence-based response.","Chemical communications (Cambridge, England)","2016","52","37","6225","6228","10.1039/c6cc02021f","","","1.54178","CuKα","","0.1379","0.1143","","","0.3583","0.3782","","","","","","1.561","","","","has coordinates,has disorder","234010","2020-10-21","18:00:00",""
"7124617","32.7148","0.001","29.7919","0.0008","39.8554","0.0011","90","","96.733","0.002","90","","38576.6","1.9","100","2","100","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C343 H281 B16 Co8 F64 N72 O3 P -","- C343 H281 B13 Co8 F52 N72 O3 P -","- C1372 H1124 B52 Co32 F208 N288 O12 P4 -","4","0.5","","Taylor, Christopher G. P.; Piper, Jerico R.; Ward, Michael D.","Binding of chemical warfare agent simulants as guests in a coordination cage: contributions to binding and a fluorescence-based response.","Chemical communications (Cambridge, England)","2016","52","37","6225","6228","10.1039/c6cc02021f","","","0.71073","MoKα","","0.2367","0.1335","","","0.377","0.432","","","","","","1.284","","","","has coordinates,has disorder","234010","2020-10-21","18:00:00",""
"7124618","27.477","0.004","39.201","0.006","41.992","0.007","90","","107.133","0.005","90","","43223","12","100","2","100","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C366 H330 B16 Co8 F64 N72 O30 P2 -","- C366 H306 B9 Co8 F36 N72 O30.0002 P2 -","- C1464 H1224 B36 Co32 F144 N288 O120.001 P8 -","4","0.5","","Taylor, Christopher G. P.; Piper, Jerico R.; Ward, Michael D.","Binding of chemical warfare agent simulants as guests in a coordination cage: contributions to binding and a fluorescence-based response.","Chemical communications (Cambridge, England)","2016","52","37","6225","6228","10.1039/c6cc02021f","","","0.71073","MoKα","","0.3021","0.1481","","","0.4181","0.4972","","","","","","1.403","","","","has coordinates,has disorder","234010","2020-10-21","18:00:00",""
"7124619","12.0691","0.0008","21.178","0.0013","20.726","0.0012","90","","105.081","0.005","90","","5115.1","0.6","213","2","213","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","A1/A2-Diethynylbenzene functionalized Pillar[5]arene","","","- C60 H56 Cl2 O8 -","- C60 H56 Cl2 O8 -","- C240 H224 Cl8 O32 -","4","0.5","","Ma, Yingjie; Chen, Long; Li, Chen; Müllen, Klaus","A fishing rod-like conjugated polymer bearing pillar[5]arenes.","Chemical communications (Cambridge, England)","2016","52","40","6662","6664","10.1039/c6cc02059c","","","0.71073","MoKα","","0.1083","0.0584","","","0.1455","0.1774","","","","","","1.045","","","","has coordinates,has disorder","234014","2020-10-21","18:00:00",""
"7124620","9.6363","0.0004","10.354","0.0004","10.4978","0.0004","107.019","0.001","113.605","0.001","91.585","0.001","905.11","0.06","100","2","100","2","","","","","","","","4","P 1","P 1","1","(BDI)Nb(NtBu)Ph","","","- C39 H54 N3 Nb -","- C39 H54 N3 Nb -","- C39 H54 N3 Nb -","1","1","","Camp, Clément; Grant, Lauren N.; Bergman, Robert G.; Arnold, John","Photo-activation of d(0) niobium imido azides: en route to nitrido complexes.","Chemical communications (Cambridge, England)","2016","52","32","5538","5541","10.1039/c6cc02081j","","","0.71073","mokα","","0.0412","0.0393","","","0.0773","0.0786","","","","","","1.057","","","","has coordinates","234016","2020-10-21","18:00:00",""
"7124621","11.649","0.0006","18.9555","0.001","17.0768","0.0009","90","","97.526","0.002","90","","3738.3","0.3","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C39 H55 N6 Nb -","- C39 H55 N6 Nb -","- C156 H220 N24 Nb4 -","4","1","","Camp, Clément; Grant, Lauren N.; Bergman, Robert G.; Arnold, John","Photo-activation of d(0) niobium imido azides: en route to nitrido complexes.","Chemical communications (Cambridge, England)","2016","52","32","5538","5541","10.1039/c6cc02081j","","","0.71073","MoKα","","0.06","0.04","","","0.0744","0.0824","","","","","","1.071","","","","has coordinates","234016","2020-10-21","18:00:00",""
"7124622","12.4801","0.0005","13.772","0.0005","19.2824","0.0008","90","","90","","90","","3314.2","0.2","100","2","100","2","","","","","","","","4","P n n m","-P 2 2n","58","","","","- C38 H49 N3 Nb -","- C38 H49 N3 Nb -","- C152 H196 N12 Nb4 -","4","0.5","","Camp, Clément; Grant, Lauren N.; Bergman, Robert G.; Arnold, John","Photo-activation of d(0) niobium imido azides: en route to nitrido complexes.","Chemical communications (Cambridge, England)","2016","52","32","5538","5541","10.1039/c6cc02081j","","","0.71073","MoKα","","0.0426","0.0406","","","0.0969","0.0988","","","","","","1.097","","","","has coordinates","234016","2020-10-21","18:00:00",""
"7124623","12.5396","0.0009","17.4757","0.0011","29.99","0.002","84.127","0.003","82.987","0.003","73.602","0.003","6241.6","0.7","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C67 H72 B F15 N5 Nb -","- C67 H72 B F15 N5 Nb -","- C268 H288 B4 F60 N20 Nb4 -","4","2","","Camp, Clément; Grant, Lauren N.; Bergman, Robert G.; Arnold, John","Photo-activation of d(0) niobium imido azides: en route to nitrido complexes.","Chemical communications (Cambridge, England)","2016","52","32","5538","5541","10.1039/c6cc02081j","","","0.71073","MoKα","","0.1424","0.0799","","","0.1818","0.2127","","","","","","1.025","","","","has coordinates,has disorder","234016","2020-10-21","18:00:00",""
"7124624","12.2684","0.0005","12.7008","0.0005","19.2268","0.0008","79.4526","0.0019","83.1067","0.0017","68.923","0.0016","2743.4","0.2","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C57 H55 B F15 N6 Nb -","- C57 H55 B F15 N6 Nb -","- C114 H110 B2 F30 N12 Nb2 -","2","1","","Camp, Clément; Grant, Lauren N.; Bergman, Robert G.; Arnold, John","Photo-activation of d(0) niobium imido azides: en route to nitrido complexes.","Chemical communications (Cambridge, England)","2016","52","32","5538","5541","10.1039/c6cc02081j","","","0.71073","MoKα","","0.0366","0.0311","","","0.0713","0.0749","","","","","","1.06","","","","has coordinates","234016","2020-10-21","18:00:00",""
"7124625","19.3473","0.0005","22.4336","0.0007","25.5172","0.0009","90","","90","","90","","11075.2","0.6","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","[Nb(BDI)(NPhtBu)(NB(C6F5)3)].(toluene)0.5","","","- C121 H118 B2 F30 N8 Nb2 -","- C121 H118 B2 F30 N8 Nb2 -","- C484 H472 B8 F120 N32 Nb8 -","4","0.5","","Camp, Clément; Grant, Lauren N.; Bergman, Robert G.; Arnold, John","Photo-activation of d(0) niobium imido azides: en route to nitrido complexes.","Chemical communications (Cambridge, England)","2016","52","32","5538","5541","10.1039/c6cc02081j","","","0.71073","MoKα","","0.053","0.036","","","0.0801","0.0905","","","","","","1.059","","","","has coordinates,has disorder","288501","2023-12-22","13:20:51",""
"7124626","12.6421","0.0009","14.2612","0.001","17.0125","0.0011","90.192","0.003","96.38","0.003","113.941","0.003","2782","0.3","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C15 H32 Cu3 N12 O16 -","- C15 H32 Cu3 N12 O16 -","- C60 H128 Cu12 N48 O64 -","4","2","","Kennedy, Zachary C.; Cardenas, Allan Jay P.; Corbey, Jordan F.; Warner, Marvin G.","2,6-Diiminopiperidin-1-ol: an overlooked motif relevant to uranyl and transition metal binding on poly(amidoxime) adsorbents.","Chemical communications (Cambridge, England)","2016","52","57","8802","8805","10.1039/c6cc02488b","","","0.71073","MoKα","","0.0364","0.0273","","","0.0651","0.071","","","","","","1.062","","","","has coordinates,has disorder","234027","2020-10-21","18:00:00",""
"7124627","17.1605","0.0012","13.4761","0.001","14.8097","0.0011","90","","111.774","0.004","90","","3180.5","0.4","100","","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C15 H44 Cl3 N9 Ni3 O13 -","- C15 H44 Cl3 N9 Ni3 O13 -","- C60 H176 Cl12 N36 Ni12 O52 -","4","1","","Kennedy, Zachary C.; Cardenas, Allan Jay P.; Corbey, Jordan F.; Warner, Marvin G.","2,6-Diiminopiperidin-1-ol: an overlooked motif relevant to uranyl and transition metal binding on poly(amidoxime) adsorbents.","Chemical communications (Cambridge, England)","2016","52","57","8802","8805","10.1039/c6cc02488b","","","0.71073","MoKα","","0.0351","0.0294","","","0.0733","0.0765","","","","","","1.027","","","","has coordinates,has disorder","234027","2020-10-21","18:00:00",""
"7124628","8.3529","0.0004","21.2854","0.0008","8.9198","0.0004","90","","111.884","0.0015","90","","1471.61","0.11","568","2","295","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H32 N8 O14 U2 -","- C18 H32 N8 O14 U2 -","- C36 H64 N16 O28 U4 -","2","0.5","","Kennedy, Zachary C.; Cardenas, Allan Jay P.; Corbey, Jordan F.; Warner, Marvin G.","2,6-Diiminopiperidin-1-ol: an overlooked motif relevant to uranyl and transition metal binding on poly(amidoxime) adsorbents.","Chemical communications (Cambridge, England)","2016","52","57","8802","8805","10.1039/c6cc02488b","","","0.71073","MoKα","","0.0375","0.0336","","","0.0759","0.0778","","","","","","1.21","","","","has coordinates,has disorder","234027","2020-10-21","18:00:00",""
"7124629","14.4081","0.0009","22.6704","0.0015","19.5045","0.0014","90","","109.072","0.002","90","","6021.2","0.7","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C31 H32 F2 I N O4 S -","- C31 H32 F2 I N O4 S -","- C248 H256 F16 I8 N8 O32 S8 -","8","2","","Yu, Liu-Zhu; Zhu, Zi-Zhong; Hu, Xu-Bo; Tang, Xiang-Ying; Shi, Min","Palladium-catalyzed cascade cyclization of allylamine-tethered alkylidenecyclopropanes: facile access to iodine/difluoromethylene- and perfluoroalkyl-containing 1-benzazepine scaffolds.","Chemical communications (Cambridge, England)","2016","52","39","6581","6584","10.1039/c6cc02496c","","","0.71073","MoKα","","0.0846","0.0524","","","0.1316","0.1511","","","","","","1.023","","","","has coordinates,has disorder","234030","2020-10-21","18:00:00",""
"7124630","9.9138","0.0003","10.3236","0.0003","13.6951","0.0004","76.806","0.002","71.844","0.002","82.615","0.002","1294.2","0.07","149","2","148.8","","","","","","","","","5","P -1","-P 1","2","","","","- C30 H36 B F2 P -","- C30 H36 B F2 P -","- C60 H72 B2 F4 P2 -","2","1","","Möbus, Juri; Vom Stein, Thorsten; Stephan, Douglas W.","Cooperative Lewis acidity in borane-substituted fluorophosphonium cations.","Chemical communications (Cambridge, England)","2016","52","38","6387","6390","10.1039/c6cc02607a","","","0.71073","MoKα","","0.0514","0.0409","","","0.1038","0.1127","","","","","","1.0467","","","","has coordinates","234034","2020-10-21","18:00:00",""
"7124631","10.7299","0.0005","19.7985","0.0008","12.1281","0.0005","90","","95.89","0.002","90","","2562.84","0.19","150","2","150.15","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C54 H32 B2 F25 P -","- C54 H32 B2 F25 P -","- C108 H64 B4 F50 P2 -","2","1","","Möbus, Juri; Vom Stein, Thorsten; Stephan, Douglas W.","Cooperative Lewis acidity in borane-substituted fluorophosphonium cations.","Chemical communications (Cambridge, England)","2016","52","38","6387","6390","10.1039/c6cc02607a","","","0.71073","MoKα","","0.069","0.0457","","","0.0892","0.0992","","","","","","1.0045","","","","has coordinates","234034","2020-10-21","18:00:00",""
"7124632","11.4351","0.0008","9.5654","0.0005","24.6131","0.0017","90","","92.863","0.003","90","","2688.9","0.3","150","2","150.03","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C30 H32 B F6 P -","- C30 H32 B F6 P -","- C120 H128 B4 F24 P4 -","4","1","","Möbus, Juri; Vom Stein, Thorsten; Stephan, Douglas W.","Cooperative Lewis acidity in borane-substituted fluorophosphonium cations.","Chemical communications (Cambridge, England)","2016","52","38","6387","6390","10.1039/c6cc02607a","","","0.71073","MoKα","","0.0806","0.0455","","","0.0904","0.1062","","","","","","1.0406","","","","has coordinates","234034","2020-10-21","18:00:00",""
"7124633","9.9916","0.0011","15.7747","0.0018","16.8287","0.0019","86.925","0.006","79.345","0.006","75.871","0.006","2527.8","0.5","149","2","149","2","","","","","","","","5","P -1","-P 1","2","","","","- C54 H36 B2 F21 P -","- C54 H36 B2 F21 P -","- C108 H72 B4 F42 P2 -","2","1","","Möbus, Juri; Vom Stein, Thorsten; Stephan, Douglas W.","Cooperative Lewis acidity in borane-substituted fluorophosphonium cations.","Chemical communications (Cambridge, England)","2016","52","38","6387","6390","10.1039/c6cc02607a","","","0.71073","MoKα","","0.0669","0.0399","","","0.0872","0.0976","","","","","","1.031","","","","has coordinates","234034","2020-10-21","18:00:00",""
"7124634","8.9638","0.0018","10.52","0.002","11.467","0.002","90","","109.75","0.03","90","","1017.7","0.4","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C11 H13 N O2 -","- C11 H13 N O2 -","- C44 H52 N4 O8 -","4","1","","Tang, Baolei; Liu, Huapeng; Li, Feng; Wang, Yue; Zhang, Hongyu","Single-benzene solid emitters with lasing properties based on aggregation-induced emissions.","Chemical communications (Cambridge, England)","2016","52","39","6577","6580","10.1039/c6cc02616h","","","0.71073","MoKα","","0.0608","0.0509","","","0.149","0.1583","","","","","","1.083","","","","has coordinates","234037","2020-10-21","18:00:00",""
"7124635","7.7034","0.0015","22.119","0.004","12.573","0.003","90","","105.27","0.03","90","","2066.7","0.8","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C11 H12 F N O2 -","- C11 H12 F N O2 -","- C88 H96 F8 N8 O16 -","8","2","","Tang, Baolei; Liu, Huapeng; Li, Feng; Wang, Yue; Zhang, Hongyu","Single-benzene solid emitters with lasing properties based on aggregation-induced emissions.","Chemical communications (Cambridge, England)","2016","52","39","6577","6580","10.1039/c6cc02616h","","","0.71073","MoKα","","0.0714","0.0486","","","0.1271","0.1391","","","","","","0.979","","","","has coordinates","234037","2020-10-21","18:00:00",""
"7124636","7.4266","0.0015","11.889","0.002","13.141","0.003","90","","102.2","0.03","90","","1134.1","0.4","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C12 H15 N O3 -","- C12 H15 N O3 -","- C48 H60 N4 O12 -","4","1","","Tang, Baolei; Liu, Huapeng; Li, Feng; Wang, Yue; Zhang, Hongyu","Single-benzene solid emitters with lasing properties based on aggregation-induced emissions.","Chemical communications (Cambridge, England)","2016","52","39","6577","6580","10.1039/c6cc02616h","","","0.71073","MoKα","","0.0606","0.047","","","0.1311","0.1486","","","","","","1.039","","","","has coordinates","234037","2020-10-21","18:00:00",""
"7124637","9.0682","0.0018","10.39","0.002","11.58","0.002","90","","109.17","0.03","90","","1030.6","0.4","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C11 H12 F N O2 -","- C11 H12 F N O2 -","- C44 H48 F4 N4 O8 -","4","1","","Tang, Baolei; Liu, Huapeng; Li, Feng; Wang, Yue; Zhang, Hongyu","Single-benzene solid emitters with lasing properties based on aggregation-induced emissions.","Chemical communications (Cambridge, England)","2016","52","39","6577","6580","10.1039/c6cc02616h","","","0.71073","MoKα","","0.0653","0.0528","","","0.1456","0.1566","","","","","","1.082","","","","has coordinates","234037","2020-10-21","18:00:00",""
"7124638","16.1244","0.0015","17.6398","0.0017","17.7651","0.0019","65.152","0.002","64.342","0.002","81.391","0.004","4129.8","0.7","123","2","123","2","","","","","","","","5","P -1","-P 1","2","","","","- C158 H178 Au24 Pd S18 -","- C158 H178 Au24 Pd S18 -","- C158 H178 Au24 Pd S18 -","1","0.5","","Tian, Shubo; Liao, Lingwen; Yuan, Jinyun; Yao, Chuanhao; Chen, Jishi; Yang, Jinlong; Wu, Zhikun","Structures and magnetism of mono-palladium and mono-platinum doped Au25(PET)18 nanoclusters.","Chemical communications (Cambridge, England)","2016","52","64","9873","9876","10.1039/c6cc02698b","","","0.71073","MoKα","","0.0727","0.0394","","","0.0724","0.081","","","","","","1.049","","","","has coordinates","234044","2020-10-21","18:00:00",""
"7124639","16.19","0.0018","17.714","0.0012","17.8666","0.0011","65.106","0.002","64.289","0.002","81.343","0.002","4184.5","0.6","123","2","123","2","","","","","","","","5","P -1","-P 1","2","","","","- C158 H178 Au24 Pt S18 -","- C158 H178 Au24 Pt S18 -","- C158 H178 Au24 Pt S18 -","1","0.5","","Tian, Shubo; Liao, Lingwen; Yuan, Jinyun; Yao, Chuanhao; Chen, Jishi; Yang, Jinlong; Wu, Zhikun","Structures and magnetism of mono-palladium and mono-platinum doped Au25(PET)18 nanoclusters.","Chemical communications (Cambridge, England)","2016","52","64","9873","9876","10.1039/c6cc02698b","","","0.71073","MoKα","","0.0339","0.0298","","","0.0748","0.0752","","","","","","1.082","","","","has coordinates","234044","2020-10-21","18:00:00",""
"7124640","25.569","0.007","25.569","0.007","16.707","0.006","90","","90","","90","","10923","6","113","2","113","2","","","","","","","","5","P 42/m b c","-P 4c 2ab","135","","","","- C44 H42 Co4 N4 O14 -","- C44 H42 Co4 N4 O14 -","- C352 H336 Co32 N32 O112 -","8","0.5","","Su, Lei; Song, Wei-Chao; Zhao, Jiong-Peng; Liu, Fu-Chen","Crystal engineering to control the magnetic interaction between weak ferromagnetic single-chain magnets assembled in a 3D framework.","Chemical communications (Cambridge, England)","2016","52","56","8722","8725","10.1039/c6cc02702d","","","0.71073","MoKα","","0.0558","0.0482","","","0.1415","0.148","","","","","","1.04","","","","has coordinates,has disorder","234045","2020-10-21","18:00:00",""
"7124641","19.3263","0.0009","9.6193","0.0004","25.4228","0.0011","90","","108.384","0.005","90","","4485","0.4","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C43 H51 Cl3 Co N2 O2 S2 -","- C43 H51 Cl3 Co N2 O2 S2 -","- C172 H204 Cl12 Co4 N8 O8 S8 -","4","1","","Sarkar, Prasenjit; Tiwari, Archana; Sarmah, Amrit; Bhandary, Subhrajyoti; Roy, Ram Kinkar; Mukherjee, Chandan","An elusive vinyl radical isolated as an appended unit in a five-coordinate Co(iii)-bis(iminobenzosemiquinone) complex formed via ligand-centered C-S bond cleavage.","Chemical communications (Cambridge, England)","2016","52","70","10613","10616","10.1039/c6cc02751b","","","0.71073","MoKα","","0.0829","0.0577","","","0.1491","0.1653","","","","","","1.035","","","","has coordinates,has disorder","234049","2020-10-21","18:00:00",""
"7124642","7.7879","0.0013","20.327","0.003","11.9549","0.0019","90","","93.558","0.003","90","","1888.9","0.5","291","2","291","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C21 H15 O7 P -","- C21 H15 O7 P -","- C84 H60 O28 P4 -","4","1","","Feng, Genfeng; Liu, Wei; Peng, Yuxin; Zhao, Bo; Huang, Wei; Dai, Yafei","Cavity partition and functionalization of a [2+3] organic molecular cage by inserting polar P[double bond, length as m-dash]O bonds.","Chemical communications (Cambridge, England)","2016","52","59","9267","9270","10.1039/c6cc02801b","","","0.71073","MoKα","","0.0882","0.0692","","","0.1813","0.1957","","","","","","0.988","","","","has coordinates","234052","2020-10-21","18:00:00",""
"7124643","19.1327","0.0011","19.1327","0.0011","19.1327","0.0011","90","","90","","90","","7003.7","0.7","291","2","291","2","","","","","","","","5","P 21 3","P 2ac 2ab 3","198","","","","- C60 H60 N6 O8 P2 -","- C60 H60 N6 O8 P2 -","- C240 H240 N24 O32 P8 -","4","0.333333","","Feng, Genfeng; Liu, Wei; Peng, Yuxin; Zhao, Bo; Huang, Wei; Dai, Yafei","Cavity partition and functionalization of a [2+3] organic molecular cage by inserting polar P[double bond, length as m-dash]O bonds.","Chemical communications (Cambridge, England)","2016","52","59","9267","9270","10.1039/c6cc02801b","","","0.71073","MoKα","","0.1512","0.0989","","","0.2181","0.2456","","","","","","1.136","","","","has coordinates","234052","2020-10-21","18:00:00",""
"7124644","8.8259","0.0014","9.7216","0.0008","12.7688","0.0013","104.695","0.008","100.791","0.011","108.868","0.011","958.4","0.2","293","2","293.15","","","","","","","","","5","P -1","-P 1","2","","N,N'-bisbenzyl-1,4-bis(4-pyridin-1-iumylethynyl)benzenebishexafluorophosphate","","- C38 H32 F12 N4 P2 -","- C38 H32 F12 N4 P2 -","- C38 H32 F12 N4 P2 -","1","0.5","","Wang, Zhaoyang; Bai, Wei; Tong, Jiaqi; Wang, Yi Jia; Qin, Anjun; Sun, Jing Zhi; Tang, Ben Zhong","A macrocyclic 1,4-bis(4-pyridylethynyl)benzene showing unique aggregation-induced emission properties.","Chemical communications (Cambridge, England)","2016","52","68","10365","10368","10.1039/c6cc02851a","","","0.71073","MoKα","","0.1472","0.109","","","0.3342","0.3863","","","","","","1.394","","","","has coordinates","234055","2020-10-21","18:00:00",""
"7124645","16.8244","0.0006","6.0896","0.0002","41.9414","0.0016","90","","101.245","0.004","90","","4214.6","0.3","293.66","0.1","293.66","0.1","","","","","","","","4","I 1 2 1","I 2y","5","","","","- C21 H27 N3 O4 -","- C21 H27 N3 O4 -","- C168 H216 N24 O32 -","8","2","","Li, Dan; Wang, Yijie; Wang, Linqing; Wang, Jie; Wang, Pengxin; Wang, Kezhou; Lin, Li; Liu, Dongsheng; Jiang, Xianxing; Yang, Dongxu","Simple magnesium catalyst mediated γ-butyrolactams in desymmetrization of meso-aziridines.","Chemical communications (Cambridge, England)","2016","52","62","9640","9643","10.1039/c6cc02877b","","x-ray","1.54184","CuKα","","0.074","0.0496","","","0.1075","0.1189","","","","","","1.042","","","","has coordinates,has disorder","234057","2020-10-21","18:00:00",""
"7124646","10.016","0.004","9.223","0.003","13.978","0.005","90","","94.662","0.004","90","","1287","0.8","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","compound 3j","6-phenylpyrrolo[1,2-b]isoquinolin-10(5H)-one","","- C18 H13 N O -","- C18 H13 N O -","- C72 H52 N4 O4 -","4","1","","Wu, Shanchao; Liu, Na; Dong, Guoqiang; Ma, Lin; Wang, Shengzheng; Shi, Wencai; Fang, Kun; Chen, Shuqiang; Li, Jian; Zhang, Wannian; Sheng, Chunquan; Wang, Wei","Facile construction of pyrrolo[1,2-b]isoquinolin-10(5H)-ones via a redox-amination-aromatization-Friedel-Crafts acylation cascade reaction and discovery of novel topoisomerase inhibitors.","Chemical communications (Cambridge, England)","2016","52","61","9593","9596","10.1039/c6cc03071h","","","0.71073","MoKα","","0.0716","0.0488","","","0.1156","0.1226","","","","","","0.927","","","","has coordinates","234064","2020-10-21","18:00:00",""
"7124647","8.4109","0.0004","11.4169","0.0006","11.725","0.0006","74.801","0.002","76.758","0.002","87.087","0.002","1057.59","0.09","103","2","103","2","","","","","","","","7","P -1","-P 1","2","","Ru(bpa)(NH3)2","","- C36 H45 F12 N7 O4 P2 Ru -","- C36 H45 F12 N7 O4 P2 Ru -","- C36 H45 F12 N7 O4 P2 Ru -","1","0.5","","He, Lei; Chen, Xiang; Meng, Zhenyu; Wang, Jintao; Tian, Keyin; Li, Tianhu; Shao, Fangwei","Octahedral ruthenium complexes selectively stabilize G-quadruplexes.","Chemical communications (Cambridge, England)","2016","52","52","8095","8098","10.1039/c6cc03117j","","","0.71073","MoKα","","0.0506","0.0365","","","0.0723","0.0796","","","","","","1.088","","","","has coordinates,has disorder","234067","2020-10-21","18:00:00",""
"7124648","11.5273","0.0004","12.9572","0.0004","24.0256","0.0007","90","","97.6261","0.0017","90","","3556.8","0.2","103","2","103","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","Ru(bpa)(NH3)(DMSO)","","- C29 H32 F12 N6 O3 P2 Ru S -","- C29 H32 F12 N6 O3 P2 Ru S -","- C116 H128 F48 N24 O12 P8 Ru4 S4 -","4","1","","He, Lei; Chen, Xiang; Meng, Zhenyu; Wang, Jintao; Tian, Keyin; Li, Tianhu; Shao, Fangwei","Octahedral ruthenium complexes selectively stabilize G-quadruplexes.","Chemical communications (Cambridge, England)","2016","52","52","8095","8098","10.1039/c6cc03117j","","","0.71073","MoKα","","0.136","0.0722","","","0.1928","0.2432","","","","","","1.084","","","","has coordinates,has disorder","234067","2020-10-21","18:00:00",""
"7124649","15.8312","0.0004","18.6954","0.0005","21.7724","0.0007","90","","90","","90","","6444","0.3","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C64 H59 Cl2 N6 O14 -","- C64 H59 Cl2 N6 O14 -","- C256 H236 Cl8 N24 O56 -","4","1","","Liu, Kang; Xiong, Yong; Wang, Zuo-Fei; Tao, Hai-Yan; Wang, Chun-Jiang","Ligand-controlled stereodivergent 1,3-dipolar cycloaddition of azomethine ylides with 3-methyl-4-nitro-5-styrylisoxazoles.","Chemical communications (Cambridge, England)","2016","52","60","9458","9461","10.1039/c6cc03169b","","","1.54178","CuKα","","0.0659","0.0537","","","0.1428","0.1516","","","","","","1.004","","","","has coordinates","234072","2020-10-21","18:00:00",""
"7124650","5.8187","0.0008","11.7632","0.0017","11.9555","0.0018","79.413","0.003","87.509","0.003","78.478","0.002","788.2","0.2","296","2","296","2","","","","","","","","5","P 1","P 1","1","","","","- C29 H24 Cl N3 O8 -","- C29 H24 Cl N3 O8 -","- C29 H24 Cl N3 O8 -","1","1","","Liu, Kang; Xiong, Yong; Wang, Zuo-Fei; Tao, Hai-Yan; Wang, Chun-Jiang","Ligand-controlled stereodivergent 1,3-dipolar cycloaddition of azomethine ylides with 3-methyl-4-nitro-5-styrylisoxazoles.","Chemical communications (Cambridge, England)","2016","52","60","9458","9461","10.1039/c6cc03169b","","","0.71073","MoKα","","0.0811","0.0735","","","0.1829","0.1946","","","","","","0.924","","","","has coordinates","234072","2020-10-21","18:00:00",""
"7124651","12.2483","0.0004","15.51","0.0005","15.3013","0.0005","90","","90.094","0.001","90","","2906.8","0.16","193","2","193","2","","","","","","","synthesis as described","6","P 1 21/n 1","-P 2yn","14","","","","- C25 H31 B Br4 Ga P -","- C25 H31 B Br4 Ga P -","- C100 H124 B4 Br16 Ga4 P4 -","4","1","","Devillard, Marc; Mallet-Ladeira, Sonia; Bouhadir, Ghenwa; Bourissou, Didier","Diverse reactivity of borenium cations with >N-H compounds.","Chemical communications (Cambridge, England)","2016","52","57","8877","8880","10.1039/c6cc03183h","","x-ray","0.71073","MoKα","","0.0595","0.0382","","","0.088","0.0972","","","","","","1.042","","","","has coordinates","234076","2020-10-21","18:00:00",""
"7124652","30.337","0.003","7.7017","0.0006","19.3533","0.0017","90","","90","","90","","4521.8","0.7","193","2","193","2","","","","","","","synthesis as described","8","P b c n","-P 2n 2ab","60","","","","- C18 H21 B F6 N O4 P S2 -","- C18 H21 B F6 N O4 P S2 -","- C144 H168 B8 F48 N8 O32 P8 S16 -","8","1","","Devillard, Marc; Mallet-Ladeira, Sonia; Bouhadir, Ghenwa; Bourissou, Didier","Diverse reactivity of borenium cations with >N-H compounds.","Chemical communications (Cambridge, England)","2016","52","57","8877","8880","10.1039/c6cc03183h","","x-ray","0.71073","MoKα","","0.1046","0.0517","","","0.1256","0.1524","","","","","","1.03","","","","has coordinates","234076","2020-10-21","18:00:00",""
"7124653","12.5932","0.0011","14.1435","0.0011","19.2716","0.0016","90","","107.068","0.003","90","","3281.3","0.5","193","2","193","2","","","","","","","synthesis as described","7","P 1 21/n 1","-P 2yn","14","","","","- C34 H26 B Br4 Ga N P -","- C34 H26 B Br4 Ga N P -","- C136 H104 B4 Br16 Ga4 N4 P4 -","4","1","","Devillard, Marc; Mallet-Ladeira, Sonia; Bouhadir, Ghenwa; Bourissou, Didier","Diverse reactivity of borenium cations with >N-H compounds.","Chemical communications (Cambridge, England)","2016","52","57","8877","8880","10.1039/c6cc03183h","","x-ray","0.71073","MoKα","","0.0868","0.08","","","0.2398","0.248","","","","","","1.044","","","","has coordinates","234076","2020-10-21","18:00:00",""
"7124654","6.9184","0.0003","22.8078","0.0012","16.1979","0.0008","90","","101.927","0.002","90","","2500.7","0.2","193","2","193","2","","","","","","","synthesis as described","5","P 1 21/n 1","-P 2yn","14","","","","- C31 H29 B N P -","- C31 H29 B N P -","- C124 H116 B4 N4 P4 -","4","1","","Devillard, Marc; Mallet-Ladeira, Sonia; Bouhadir, Ghenwa; Bourissou, Didier","Diverse reactivity of borenium cations with >N-H compounds.","Chemical communications (Cambridge, England)","2016","52","57","8877","8880","10.1039/c6cc03183h","","x-ray","0.71073","MoKα","","0.0517","0.0399","","","0.0952","0.1028","","","","","","1.039","","","","has coordinates","234076","2020-10-21","18:00:00",""
"7124655","8.9898","0.0004","12.2194","0.0006","15.5624","0.0008","91.453","0.002","91.387","0.002","106.552","0.002","1637.28","0.14","173","2","173","2","","","","","","","synthesis as described","8","P -1","-P 1","2","","","","- C33 H30 B F6 N2 O4 P S2 -","- C33 H30 B F6 N2 O4 P S2 -","- C66 H60 B2 F12 N4 O8 P2 S4 -","2","1","","Devillard, Marc; Mallet-Ladeira, Sonia; Bouhadir, Ghenwa; Bourissou, Didier","Diverse reactivity of borenium cations with >N-H compounds.","Chemical communications (Cambridge, England)","2016","52","57","8877","8880","10.1039/c6cc03183h","","x-ray","0.71073","MoKα","","0.1415","0.0818","","","0.2047","0.2558","","","","","","1.068","","","","has coordinates","234076","2020-10-21","18:00:00",""
"7124656","7.8691","0.0007","7.8691","0.0007","22.353","0.003","90","","90","","90","","1384.2","0.3","100","2","100","2","","","","","","","","5","P 43 21 2","P 4nw 2abw","96","","Poly[(mu-6-aminopyridine-3-carboxylato-kN:kO)zinc(II)]","","- C12 H10 N4 O4 Zn -","- C12 H10 N4 O4 Zn -","- C48 H40 N16 O16 Zn4 -","4","0.5","","Cepeda, Javier; Sebastian, Eider San; Padro, Daniel; Rodríguez-Diéguez, Antonio; García, Jose A; Ugalde, Jesus M.; Seco, Jose M.","A Zn based coordination polymer exhibiting long-lasting phosphorescence.","Chemical communications (Cambridge, England)","2016","52","56","8671","8674","10.1039/c6cc03242g","","","0.71073","MoKα","","0.0525","0.0494","","","0.1038","0.1047","","","","","","1.235","","","","has coordinates","234079","2020-10-21","18:00:00",""
"7124657","14.9097","0.0004","6.6345","0.0002","16.6553","0.0004","90","","92.822","0.002","90","","1645.52","0.08","290","2","290","2","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C21 H19 B O2 -","- C21 H19 B O2 -","- C84 H76 B4 O8 -","4","1","","Wang, Taisheng; Zhang, Na; Zhang, Ke; Dai, Jingwen; Bai, Wei; Bai, Ruke","Pyrene boronic acid cyclic ester: a new fast self-recovering mechanoluminescent material at room temperature.","Chemical communications (Cambridge, England)","2016","52","62","9679","9682","10.1039/c6cc03248f","","","1.54184","CuKα","","0.052","0.0457","","","0.1299","0.1389","","","","","","1.048","","","","has coordinates","234081","2020-10-21","18:00:00",""
"7124658","11.7096","0.0013","10.8168","0.0011","14.2151","0.0015","90","","91.551","0.01","90","","1799.8","0.3","290","2","290","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H21 B O2 -","- C22 H21 B O2 -","- C88 H84 B4 O8 -","4","1","","Wang, Taisheng; Zhang, Na; Zhang, Ke; Dai, Jingwen; Bai, Wei; Bai, Ruke","Pyrene boronic acid cyclic ester: a new fast self-recovering mechanoluminescent material at room temperature.","Chemical communications (Cambridge, England)","2016","52","62","9679","9682","10.1039/c6cc03248f","","","0.71073","MoKα","","0.1076","0.0627","","","0.1164","0.136","","","","","","1.009","","","","has coordinates","234081","2020-10-21","18:00:00",""
"7124659","8.45","0.0004","11.0004","0.0005","42.68","0.002","90","","90","","90","","3967.3","0.3","123","2","123","2","","","","","","","","2","P 21 21 21","P 2ac 2ab","19","perfluororubrene, F28-rubrene","5,6,11,12-tetrakis(perfluorophenyl)1,2,3,4,7,8,9,10-octafluorotetracene- perfluororubrene chloroform solvate","","- C42 F28 -","- C42 F28 -","- C168 F112 -","4","1","","Zhang, Zhuoran; Ogden, William A.; Young, Victor G.; Douglas, Christopher J.","Synthesis, electrochemical properties, and crystal packing of perfluororubrene.","Chemical communications (Cambridge, England)","2016","52","52","8127","8130","10.1039/c6cc03259a","","","1.54178","CuKα","","0.0267","0.0252","","","0.0648","0.0656","","","","","","1.045","","","","has coordinates","234083","2020-10-21","18:00:00",""
"7124660","16.6651","0.0006","11.1489","0.0005","19.1918","0.0007","90","","90.213","0.003","90","","3565.8","0.2","123","2","123","2","","","","","","","","2","P 1 21/n 1","-P 2yn","14","perfluororubrene, F28-rubrene","5,6,11,12-tetrakis(perfluorophenyl)1,2,3,4,7,8,9,10-octafluorotetracene- perfluororubrene","","- C42 F28 -","- C42 F28 -","- C168 F112 -","4","1","","Zhang, Zhuoran; Ogden, William A.; Young, Victor G.; Douglas, Christopher J.","Synthesis, electrochemical properties, and crystal packing of perfluororubrene.","Chemical communications (Cambridge, England)","2016","52","52","8127","8130","10.1039/c6cc03259a","","","1.54178","CuKα","","0.083","0.0562","","","0.1428","0.1636","","","","","","1.045","","","","has coordinates","234083","2020-10-21","18:00:00",""
"7124661","12.5285","0.0007","17.8163","0.0009","24.7339","0.0013","90.202","0.004","101.264","0.003","90.695","0.003","5414","0.5","123","2","123","2","","","","","","","","2","P -1","-P 1","2","perfluororubrene, F28-rubrene","5,6,11,12-tetrakis(perfluorophenyl)1,2,3,4,7,8,9,10-octafluorotetracene- perfluororubrene","","- C42 F28 -","- C42 F28 -","- C252 F168 -","6","3","","Zhang, Zhuoran; Ogden, William A.; Young, Victor G.; Douglas, Christopher J.","Synthesis, electrochemical properties, and crystal packing of perfluororubrene.","Chemical communications (Cambridge, England)","2016","52","52","8127","8130","10.1039/c6cc03259a","","","1.54178","CuKα","","0.0946","0.0687","","","0.1499","0.1681","","","","","","1.053","","","","has coordinates,has disorder","234083","2020-10-21","18:00:00",""
"7124662","12.0803","0.0007","12.3966","0.0009","14.483","0.001","106.375","0.006","96.145","0.005","108.074","0.006","1932.7","0.3","120","","120","","","","","","","","","4","P -1","-P 1","2","","","","- C44 H61 N O10 -","- C44 H61 N O10 -","- C88 H122 N2 O20 -","2","1","","Puttreddy, Rakesh; Beyeh, Ngong Kodiah; Kalenius, Elina; Ras, Robin H. A.; Rissanen, Kari","2-Methylresorcinarene: a very high packing coefficient in a mono-anion based dimeric capsule and the X-ray crystal structure of the tetra-anion.","Chemical communications (Cambridge, England)","2016","52","52","8115","8118","10.1039/c6cc03289c","","x-ray","0.71073","MoKα","","0.1218","0.0662","","","0.1391","0.1666","","","","","","1.022","","","","has coordinates","234086","2020-10-21","18:00:00",""
"7124663","13.3506","0.0009","15.7389","0.0011","17.8889","0.0012","69.234","0.006","75.125","0.006","87.036","0.005","3393.7","0.4","170","","170","","","","","","","","","4","P -1","-P 1","2","","","","- C125 H227 N10 O31.5 -","- C125 H227 N10 O31.5 -","- C125 H227 N10 O31.5 -","1","0.5","","Puttreddy, Rakesh; Beyeh, Ngong Kodiah; Kalenius, Elina; Ras, Robin H. A.; Rissanen, Kari","2-Methylresorcinarene: a very high packing coefficient in a mono-anion based dimeric capsule and the X-ray crystal structure of the tetra-anion.","Chemical communications (Cambridge, England)","2016","52","52","8115","8118","10.1039/c6cc03289c","","x-ray","0.71073","MoKα","","0.1252","0.0829","","","0.2304","0.2623","","","","","","1.029","","","","has coordinates,has disorder","234086","2020-10-21","18:00:00",""
"7124664","15.4204","0.0002","15.4204","0.0002","43.9852","0.0006","90","","90","","90","","10459.2","0.2","100","","100","","","","","","","","","4","P 43 21 2","P 4nw 2abw","96","","","","- C98 H120 N16 O18 -","- C98 H120 N16 O18 -","- C392 H480 N64 O72 -","4","0.5","","Chung, Mee-Kyung; Lee, Stephen J.; Waters, Marcey L.; Gagné, Michel R","Tetrameric psuedo-peptide receptors with allosteric properties.","Chemical communications (Cambridge, England)","2016","52","52","8103","8106","10.1039/c6cc03296f","","","1.54178","CuKα","","0.0707","0.0652","","","0.1764","0.1815","","","","","","1.043","","","","has coordinates","234089","2020-10-21","18:00:00",""
"7124665","22.2194","0.0006","26.8073","0.0008","30.7909","0.0008","90","","90","","90","","18340.4","0.9","100","","100","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C68 H80 N16 O12 -","- C68 H80 N16 O12 -","- C544 H640 N128 O96 -","8","2","","Chung, Mee-Kyung; Lee, Stephen J.; Waters, Marcey L.; Gagné, Michel R","Tetrameric psuedo-peptide receptors with allosteric properties.","Chemical communications (Cambridge, England)","2016","52","52","8103","8106","10.1039/c6cc03296f","","","1.54178","CuKα","","0.0995","0.0743","","","0.1892","0.2046","","","","","","0.945","","","","has coordinates","234089","2020-10-21","18:00:00",""
"7124666","10.5604","0.0007","12.5871","0.001","20.6289","0.0015","90","","103.411","0.003","90","","2667.3","0.3","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C31 H35 N O2 Si -","- C31 H35 N O2 Si -","- C124 H140 N4 O8 Si4 -","4","1","","Shinde, Popat S.; Shaikh, Aslam C.; Patil, Nitin T.","Efficient access to alkynylated quinalizinones via the gold(i)-catalyzed aminoalkynylation of alkynes.","Chemical communications (Cambridge, England)","2016","52","52","8152","8155","10.1039/c6cc03414d","","","0.71073","MoKα","","0.0425","0.0377","","","0.0898","0.093","","","","","","1.037","","","","has coordinates","234093","2020-10-21","18:00:00",""
"7124667","17.0259","0.0011","19.7058","0.0012","8.2013","0.0005","90","","101.746","0.004","90","","2694","0.3","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C31 H33 N O2 Si -","- C31 H33 N O2 Si -","- C124 H132 N4 O8 Si4 -","4","1","","Shinde, Popat S.; Shaikh, Aslam C.; Patil, Nitin T.","Efficient access to alkynylated quinalizinones via the gold(i)-catalyzed aminoalkynylation of alkynes.","Chemical communications (Cambridge, England)","2016","52","52","8152","8155","10.1039/c6cc03414d","","","0.71073","MoKα","","0.166","0.1156","","","0.1769","0.1963","","","","","","1.127","","","","has coordinates","234093","2020-10-21","18:00:00",""
"7124668","12.1203","0.0003","21.6638","0.0005","27.3069","0.0009","90","","91.372","0.003","90","","7168","0.3","140","2","140","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","bis-(2-(4,4'-di(tert-butyl)-6-phenyl-2,2'-bipyridine platinum(II) acetylide)-5-phenyl-thiophene-3-yl)-hexafluorocyclopent-1-en-1-yl","","- C78 H68 Cl2 F6 N4 Pt2 S2 -","- C78 H68 Cl2 F6 N4 Pt2 S2 -","- C312 H272 Cl8 F24 N16 Pt8 S8 -","4","1","","Boixel, Julien; Zhu, Yifan; Le Bozec, Hubert; Benmensour, Mohamed Ali; Boucekkine, Abdou; Wong, Keith Man-Chung; Colombo, Alessia; Roberto, Dominique; Guerchais, Véronique; Jacquemin, Denis","Contrasted photochromic and luminescent properties in dinuclear Pt(ii) complexes linked through a central dithienylethene unit.","Chemical communications (Cambridge, England)","2016","52","63","9833","9836","10.1039/c6cc03431d","","x-ray","1.54184","CuKα","","0.1402","0.1265","","","0.3255","0.3373","","","","","","1.196","","","","has coordinates,has disorder","234095","2020-10-21","18:00:00",""
"7124669","10.2417","0.0002","18.3288","0.0003","21.5881","0.0004","90","","95.3341","0.0011","90","","4034.93","0.13","100","2","100","","","","","","","","","6","P 1 n 1","P -2yac","7","","","","- C34 H58 F4 Mo N6 P4 -","- C34 H58 F4 Mo N6 P4 -","- C136 H232 F16 Mo4 N24 P16 -","4","2","","Egbert, Jonathan D.; O'Hagan, Molly; Wiedner, Eric S.; Bullock, R. Morris; Piro, Nicholas A.; Kassel, W. Scott; Mock, Michael T.","Putting chromium on the map for N2 reduction: production of hydrazine and ammonia. A study of cis-M(N2)2 (M = Cr, Mo, W) bis(diphosphine) complexes.","Chemical communications (Cambridge, England)","2016","52","60","9343","9346","10.1039/c6cc03449g","","","0.71073","MoKα","","0.0969","0.0528","","","0.0908","0.1071","","","","","","1.003","","","","has coordinates","234098","2020-10-21","18:00:00",""
"7124670","10.8985","0.0006","13.441","0.0007","13.4741","0.0007","90","","101.392","0.003","90","","1934.89","0.18","100","2","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C34 H58 Cr F4 N6 P4 -","- C34 H58 Cr F4 N6 P4 -","- C68 H116 Cr2 F8 N12 P8 -","2","0.5","","Egbert, Jonathan D.; O'Hagan, Molly; Wiedner, Eric S.; Bullock, R. Morris; Piro, Nicholas A.; Kassel, W. Scott; Mock, Michael T.","Putting chromium on the map for N2 reduction: production of hydrazine and ammonia. A study of cis-M(N2)2 (M = Cr, Mo, W) bis(diphosphine) complexes.","Chemical communications (Cambridge, England)","2016","52","60","9343","9346","10.1039/c6cc03449g","","","0.71073","MoKα","","0.0561","0.0344","","","0.0743","0.083","","","","","","1.024","","","","has coordinates","234098","2020-10-21","18:00:00",""
"7124671","10.301","0.0002","18.8047","0.0004","20.7192","0.0004","90","","93.77","0.001","90","","4004.77","0.14","100","","100","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C34 H58 Cr F4 N6 P4 -","- C34 H58 Cr F4 N6 P4 -","- C136 H232 Cr4 F16 N24 P16 -","4","1","","Egbert, Jonathan D.; O'Hagan, Molly; Wiedner, Eric S.; Bullock, R. Morris; Piro, Nicholas A.; Kassel, W. Scott; Mock, Michael T.","Putting chromium on the map for N2 reduction: production of hydrazine and ammonia. A study of cis-M(N2)2 (M = Cr, Mo, W) bis(diphosphine) complexes.","Chemical communications (Cambridge, England)","2016","52","60","9343","9346","10.1039/c6cc03449g","","","0.71073","MoKα","","0.0639","0.0387","","","0.0859","0.0969","","","","","","1.027","","","","has coordinates","234098","2020-10-21","18:00:00",""
"7124672","10.2469","0.0002","18.3292","0.0003","21.5498","0.0004","90","","95.426","0.001","90","","4029.29","0.13","100","","100","","","","","","","","","6","P 1 n 1","P -2yac","7","","","","- C34 H58 F4 N6 P4 W -","- C34 H58 F4 N6 P4 W -","- C136 H232 F16 N24 P16 W4 -","4","2","","Egbert, Jonathan D.; O'Hagan, Molly; Wiedner, Eric S.; Bullock, R. Morris; Piro, Nicholas A.; Kassel, W. Scott; Mock, Michael T.","Putting chromium on the map for N2 reduction: production of hydrazine and ammonia. A study of cis-M(N2)2 (M = Cr, Mo, W) bis(diphosphine) complexes.","Chemical communications (Cambridge, England)","2016","52","60","9343","9346","10.1039/c6cc03449g","","","0.71073","MoKα","","0.0383","0.0312","","","0.0601","0.063","","","","","","1.043","","","","has coordinates","234098","2020-10-21","18:00:00",""
"7124673","32.7165","0.0018","16.1948","0.0008","39.103","0.002","90","","90","","90","","20718.2","1.9","100","2","100","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","iPrCS","pentaisopropylcyanostar","","- C105 H105 N5 -","- C105 H105 N5 -","- C840 H840 N40 -","8","1","","Qiao, Bo; Anderson, Joseph R.; Pink, Maren; Flood, Amar H.","Size-matched recognition of large anions by cyanostar macrocycles is saved when solvent-bias is avoided.","Chemical communications (Cambridge, England)","2016","52","56","8683","8686","10.1039/c6cc03463b","","","0.41328","","","0.2476","0.1623","","","0.4146","0.4414","","","","","","2.558","","","","has coordinates,has disorder","234100","2020-10-21","18:00:00",""
"7124674","8.9419","0.0018","20.446","0.004","7.9832","0.0016","90","","111.874","0.003","90","","1354.5","0.5","296.15","","296.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H13 N O2 -","- C17 H13 N O2 -","- C68 H52 N4 O8 -","4","1","","Li, Jiu-Ling; Li, Wei-Ze; Wang, Ying-Chun; Ren, Qiu; Wang, Heng-Shan; Pan, Ying-Ming","Palladium(ii)-catalyzed C-C and C-O bond formation for the synthesis of C1-benzoyl isoquinolines from isoquinoline N-oxides and nitroalkenes.","Chemical communications (Cambridge, England)","2016","52","65","10028","10031","10.1039/c6cc03530b","","","0.71073","MoKα","","0.0694","0.0606","","","0.1814","0.1873","","","","","","1.158","","","","has coordinates","234105","2020-10-21","18:00:00",""
"7124675","5.43","0.0002","7.8748","0.0005","20.6997","0.0009","90","","90","","90","","885.12","0.08","200","","200","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","2-methyl-2-nitro-3-phenyloxirane","","- C9 H9 N O3 -","- C9 H9 N O3 -","- C36 H36 N4 O12 -","4","1","","Vidal-Albalat, A; Swiderek, K.; Izquierdo, J.; Rodríguez, S; Moliner, V.; González, F V","Catalytic enantioselective epoxidation of nitroalkenes.","Chemical communications (Cambridge, England)","2016","52","65","10060","10063","10.1039/c6cc03539f","","x-ray","1.54184","CuKα","","0.0465","0.0414","","","0.1126","0.1189","","","","","","1.0944","","","","has coordinates","234107","2020-10-21","18:00:00",""
"7124676","8.6028","0.0003","6.2292","0.0003","11.4861","0.0004","90","","94.415","0.003","90","","613.7","0.04","200","2","200","","","","","","","","","4","P 1 21 1","P 2yb","4","","(2S,3R)-2-nitro-2,3-diphenyloxirane","","- C14 H11 N O3 -","- C14 H11 N O3 -","- C28 H22 N2 O6 -","2","1","","Vidal-Albalat, A; Swiderek, K.; Izquierdo, J.; Rodríguez, S; Moliner, V.; González, F V","Catalytic enantioselective epoxidation of nitroalkenes.","Chemical communications (Cambridge, England)","2016","52","65","10060","10063","10.1039/c6cc03539f","","x-ray","1.54184","CuKα","","0.0585","0.0541","","","0.1324","0.1369","","","","","","1.051","","","","has coordinates","234107","2020-10-21","18:00:00",""
"7124677","12.741","0.003","13.235","0.004","17.923","0.004","89.94","0.01","85.741","0.01","86.594","0.011","3008.6","1.3","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C42 H76 Cl3 Dy O35 -","- C42 H76 Cl3 Dy O35 -","- C84 H152 Cl6 Dy2 O70 -","2","1","","Al Hareri, M.; Gavey, E. L.; Regier, J.; Ras Ali, Z.; Carlos, L. D.; Ferreira, R. A. S.; Pilkington, M.","Encapsulation of a [Dy(OH2)8](3+) cation: magneto-optical and theoretical studies of a caged, emissive SMM.","Chemical communications (Cambridge, England)","2016","52","76","11335","11338","10.1039/c6cc03578g","","","0.71073","MoKα","","0.0746","0.0686","","","0.173","0.1794","","","","","","1.091","","","","has coordinates","234111","2020-10-21","18:00:00",""
"7124678","7.791","0.0004","13.1164","0.0006","16.9526","0.0008","90","","96.895","0.001","90","","1719.86","0.14","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","en07310-73","","- C19 H20 N2 O4 -","- C19 H20 N2 O4 -","- C76 H80 N8 O16 -","4","1","","Briones, John F.; Basarab, Gregory S.","Expedient synthesis of tetrahydroquinoline-3-spirohydantoin derivatives via the Lewis acid-catalyzed tert-amino effect reaction.","Chemical communications (Cambridge, England)","2016","52","55","8541","8544","10.1039/c6cc03600g","","","0.71073","MoKα","","0.0798","0.0515","","","0.1438","0.1659","","","","","","1.048","","","","has coordinates","234113","2020-10-21","18:00:00",""
"7124679","13.595","0.0013","20.8235","0.0019","23.687","0.002","74.639","0.002","84.656","0.002","76.364","0.002","6280.5","1","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C52 H62 F12 N2 O14 P2 -","- C52 H62 F12 N2 O14 P2 -","- C208 H248 F48 N8 O56 P8 -","4","2","","Cheng, Ming; Yao, Chenhao; Cao, Yihan; Wang, Qi; Pan, Yi; Jiang, Juli; Wang, Leyong","4-Methylcoumarin-bridged fluorescent responsive cryptand: from [2+2] photodimerization to supramolecular polymer.","Chemical communications (Cambridge, England)","2016","52","56","8715","8718","10.1039/c6cc03624d","","","0.71073","MoKα","","0.1375","0.0893","","","0.174","0.1904","","","","","","1.184","","","","has coordinates","234115","2020-10-21","18:00:00",""
"7124680","9.1828","0.0017","9.0675","0.0017","26.107","0.005","90","","91.376","0.003","90","","2173.2","0.7","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C26 H24 N2 O3 -","- C26 H24 N2 O3 -","- C104 H96 N8 O12 -","4","1","","An, Yuanyuan; Xia, Hongguang; Wu, Jie","Base-controlled [3+3] cycloaddition of isoquinoline N-oxides with azaoxyallyl cations.","Chemical communications (Cambridge, England)","2016","52","68","10415","10418","10.1039/c6cc03650c","","","0.71073","MoKα","","0.0766","0.0571","","","0.1575","0.1714","","","","","","1.062","","","","has coordinates","234117","2020-10-21","18:00:00",""
"7124681","38.327","0.012","12.158","0.004","9.715","0.003","90","","95.51","0.006","90","","4506","2","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C26 H24 N2 O3 -","- C26 H24 N2 O3 -","- C208 H192 N16 O24 -","8","1","","An, Yuanyuan; Xia, Hongguang; Wu, Jie","Base-controlled [3+3] cycloaddition of isoquinoline N-oxides with azaoxyallyl cations.","Chemical communications (Cambridge, England)","2016","52","68","10415","10418","10.1039/c6cc03650c","","","0.71073","MoKα","","0.1166","0.0547","","","0.148","0.1817","","","","","","1.006","","","","has coordinates","234117","2020-10-21","18:00:00",""
"7124682","13.5981","0.0006","14.8764","0.0007","21.2531","0.0009","75.799","0.002","87.413","0.002","75.372","0.002","4032.2","0.3","100","","100","1","","","","","","","","9","P -1","-P 1","2","","","","- C66 H57 Ce F15 N3 O2 P2 S6 Si3 -","- C66 H57 Ce F15 N3 O2 P2 S6 Si3 -","- C132 H114 Ce2 F30 N6 O4 P4 S12 Si6 -","2","1","","Yin, Haolin; Carroll, Patrick J.; Schelter, Eric J.","Reactions of a cerium(iii) amide with heteroallenes: insertion, silyl-migration and de-insertion.","Chemical communications (Cambridge, England)","2016","52","63","9813","9816","10.1039/c6cc03719d","","","0.71073","MoKα","","0.0623","0.0511","","","0.1185","0.1253","","","","","","1.096","","","","has coordinates,has disorder","234120","2020-10-21","18:00:00",""
"7124683","23.8","0.0014","12.7595","0.0007","40.727","0.002","90","","97.599","0.003","90","","12259.2","1.2","100","","100","1","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C48 H69 Ce F15 N9 Si3 -","- C48 H69 Ce F15 N9 Si3 -","- C384 H552 Ce8 F120 N72 Si24 -","8","1","","Yin, Haolin; Carroll, Patrick J.; Schelter, Eric J.","Reactions of a cerium(iii) amide with heteroallenes: insertion, silyl-migration and de-insertion.","Chemical communications (Cambridge, England)","2016","52","63","9813","9816","10.1039/c6cc03719d","","","0.71073","MoKα","","0.0535","0.0499","","","0.1189","0.1204","","","","","","1.166","","","","has coordinates,has disorder","234120","2020-10-21","18:00:00",""
"7124684","13.33","0.05","15.13","0.05","7.59","0.03","90","","100.77","0.05","90","","1504","10","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C21 H16 O -","- C21 H16 O -","- C84 H64 O4 -","4","1","","Jin, Ruiwen; Chen, Yiyong; Liu, Wangsheng; Xu, Dawen; Li, Yawei; Ding, Aishun; Guo, Hao","Merging photoredox catalysis with Lewis acid catalysis: activation of carbon-carbon triple bonds.","Chemical communications (Cambridge, England)","2016","52","64","9909","9912","10.1039/c6cc03725a","","","0.71073","MoKα","","0.1321","0.0476","","","0.0826","0.0939","","","","","","0.692","","","","has coordinates","234122","2020-10-21","18:00:00",""
"7124685","8.4933","0.0008","10.7736","0.001","14.1815","0.0014","90","","92.817","0.001","90","","1296.1","0.2","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C16 H14 O5 -","- C16 H14 O5 -","- C64 H56 O20 -","4","1","","Chen, Dong; Xu, Wen-Dan; Liu, Hao-Miao; Li, Ming-Ming; Yan, Yong-Min; Li, Xiao-Nian; Li, Yan; Cheng, Yong-Xian; Qin, Hong-Bo","Enantioselective total synthesis of (+)-Lingzhiol via tandem semipinacol rearrangement/Friedel-Crafts type cyclization.","Chemical communications (Cambridge, England)","2016","52","55","8561","8564","10.1039/c6cc03764j","","","0.71073","MoKα","","0.041","0.0376","","","0.1017","0.1045","","","","","","1.041","","","","has coordinates","234124","2020-10-21","18:00:00",""
"7124686","8.1765","0.0007","10.7366","0.0009","16.4944","0.0013","90","","90","","90","","1448","0.2","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H13 Br O5 -","- C16 H13 Br O5 -","- C64 H52 Br4 O20 -","4","1","","Chen, Dong; Xu, Wen-Dan; Liu, Hao-Miao; Li, Ming-Ming; Yan, Yong-Min; Li, Xiao-Nian; Li, Yan; Cheng, Yong-Xian; Qin, Hong-Bo","Enantioselective total synthesis of (+)-Lingzhiol via tandem semipinacol rearrangement/Friedel-Crafts type cyclization.","Chemical communications (Cambridge, England)","2016","52","55","8561","8564","10.1039/c6cc03764j","","","0.71073","MoKα","","0.0247","0.0206","","","0.0514","0.0676","","","","","","1.078","","","","has coordinates","234124","2020-10-21","18:00:00",""
"7124687","9.7836","0.0014","19.184","0.003","7.2536","0.0011","90","","110.113","0.003","90","","1278.4","0.3","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H14 N2 O3 -","- C15 H14 N2 O3 -","- C60 H56 N8 O12 -","4","1","","Alcaide, Benito; Almendros, Pedro; Cembellín, Sara; Fernández, Israel; Martínez Del Campo, Teresa","Stereoselective synthesis of strained cage compounds via gold-catalyzed allene functionalization.","Chemical communications (Cambridge, England)","2016","52","67","10265","10268","10.1039/c6cc03779h","","","0.71073","MoKα","","0.1275","0.0531","","","0.132","0.1653","","","","","","0.997","","","","has coordinates","234126","2020-10-21","18:00:00",""
"7124688","12.8179","0.001","4.8463","0.0003","18.2472","0.0012","90","","100.494","0.003","90","","1114.55","0.13","150","2","150","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C2 H4 N6 O2 -","- C2 H4 N6 O2 -","- C16 H32 N48 O16 -","8","1","","He, Chunlin; Yin, Ping; Mitchell, Lauren A.; Parrish, Damon A.; Shreeve, Jean'ne M.","Energetic aminated-azole assemblies from intramolecular and intermolecular N-HO and N-HN hydrogen bonds.","Chemical communications (Cambridge, England)","2016","52","52","8123","8126","10.1039/c6cc03833f","","","0.71073","MoKα","","0.0334","0.0279","","","0.0699","0.0738","","","","","","1.014","","","","has coordinates","234129","2020-10-21","18:00:00",""
"7124689","12.7338","0.0004","9.977","0.0003","5.136","0.0002","90","","90","","90","","652.5","0.04","150","2","150","2","","","","","","","","4","P n a 21","P 2c -2n","33","","2,4-dinitro-1H-imidazole-1,5-diamine","","- C3 H4 N6 O4 -","- C3 H4 N6 O4 -","- C12 H16 N24 O16 -","4","1","","He, Chunlin; Yin, Ping; Mitchell, Lauren A.; Parrish, Damon A.; Shreeve, Jean'ne M.","Energetic aminated-azole assemblies from intramolecular and intermolecular N-HO and N-HN hydrogen bonds.","Chemical communications (Cambridge, England)","2016","52","52","8123","8126","10.1039/c6cc03833f","","","1.54178","CuKα","","0.0318","0.0318","","","0.0882","0.0882","","","","","","1.066","","","","has coordinates","234129","2020-10-21","18:00:00",""
"7124690","3.5852","0.0003","16.3937","0.0012","9.4278","0.0007","90","","98.448","0.003","90","","548.1","0.07","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C2 H4 N6 O2 -","- C2 H4 N6 O2 -","- C8 H16 N24 O8 -","4","2","","He, Chunlin; Yin, Ping; Mitchell, Lauren A.; Parrish, Damon A.; Shreeve, Jean'ne M.","Energetic aminated-azole assemblies from intramolecular and intermolecular N-HO and N-HN hydrogen bonds.","Chemical communications (Cambridge, England)","2016","52","52","8123","8126","10.1039/c6cc03833f","","","0.71073","MoKα","","0.0918","0.048","","","0.0897","0.1114","","","","","","1.045","","","","has coordinates","234129","2020-10-21","18:00:00",""
"7124691","8.0055","0.0007","6.4742","0.0006","10.7844","0.001","90","","96.224","0.001","90","","555.65","0.09","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C2 H4 N6 O2 -","- C2 H4 N6 O2 -","- C8 H16 N24 O8 -","4","1","","He, Chunlin; Yin, Ping; Mitchell, Lauren A.; Parrish, Damon A.; Shreeve, Jean'ne M.","Energetic aminated-azole assemblies from intramolecular and intermolecular N-HO and N-HN hydrogen bonds.","Chemical communications (Cambridge, England)","2016","52","52","8123","8126","10.1039/c6cc03833f","","","0.71073","MoKα","","0.0326","0.0312","","","0.0855","0.0869","","","","","","1.096","","","","has coordinates","234129","2020-10-21","18:00:00",""
"7124692","15.924","0.005","8.289","0.002","15.498","0.006","90","","99.13","0.006","90","","2019.7","1.1","566","2","566","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C H N O S -","- C2.92308 H3.07692 N0.153846 O0.923077 S0.153846 -","- C76 H80 N4 O24 S4 -","26","6.5","","Wang, Sasa; Chen, Xinzheng; Ao, Qiaoqiao; Wang, Huifei; Zhai, Hongbin","Decarboxylative Csp(3)-Csp(3) coupling for benzylation of unstable ketone enolates: synthesis of p-(acylethyl)phenols.","Chemical communications (Cambridge, England)","2016","52","60","9454","9457","10.1039/c6cc03835b","","","0.71073","MoKα","","0.0886","0.0802","","","0.2216","0.2515","","","","","","1.754","","","","has coordinates","234131","2020-10-21","18:00:00",""
"7124693","12.6576","0.0002","14.5099","0.0002","13.416","0.0002","90","","106.523","0.001","90","","2362.24","0.06","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C22 H26 F6 N2 Rh Sb -","- C22 H26 F6 N2 Rh Sb -","- C88 H104 F24 N8 Rh4 Sb4 -","4","1","","Hou, Wei; Yang, Yaxi; Wu, Yunxiang; Feng, Huijin; Li, Yuanchao; Zhou, Bing","Rhodium(iii)-catalyzed alkylation of primary C(sp(3))-H bonds with α-diazocarbonyl compounds.","Chemical communications (Cambridge, England)","2016","52","62","9672","9675","10.1039/c6cc03846h","","","0.71073","MoKα","","0.0299","0.028","","","0.0733","0.0745","","","","","","1.056","","","","has coordinates","234133","2020-10-21","18:00:00",""
"7124694","23.9036","0.0008","21.2261","0.0006","18.0968","0.0004","90","","90","","90","","9182","0.5","293","2","293","2","","","","","","","","8","P n m a","-P 2ac 2n","62","","","","- C64 H256 Co16 N64 Nb32 O205 S4 V39 -","- C64 H256 Co16 N64 Nb32 O205 S4 V39 -","- C64 H256 Co16 N64 Nb32 O205 S4 V39 -","1","0.125","","Hu, Ju-Fang; Han, Tian; Chi, Ying-Nan; Lin, Zheng-Guo; Xu, Yan-Qing; Yang, Song; Wei, Ding; Zheng, Yan-Zhen; Hu, Chang-Wen","Sulfur-centred polyoxoniobate-based 3D organic-inorganic hybrid compound and its magnetic behavior.","Chemical communications (Cambridge, England)","2016","52","72","10846","10849","10.1039/c6cc03915d","","","0.71073","MoKα","","0.1409","0.0996","","","0.2783","0.3177","","","","","","1.038","","","","has coordinates","234135","2020-10-21","18:00:00",""
"7124695","10.1048","0.0008","12.9834","0.0008","15.341","0.001","90","","102.567","0.004","90","","1964.4","0.2","123","2","123","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C21 H30 Li N3 -","- C21 H30 Li N3 -","- C84 H120 Li4 N12 -","4","2","","Blair, V. L.; Stevens, M. A.; Thompson, C. D.","The importance of the Lewis base in lithium mediated metallation and bond cleavage reaction of allyl amines and allyl phosphines.","Chemical communications (Cambridge, England)","2016","52","52","8111","8114","10.1039/c6cc03947b","","","0.71073","MoKα","","0.0502","0.0417","","","0.1051","0.1103","","","","","","1.021","","","","has coordinates","234137","2020-10-21","18:00:00",""
"7124696","10.592","0.002","18.626","0.004","9.119","0.0018","90","","95.24","0.03","90","","1791.5","0.6","173","2","173","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C38 H48 Li2 O2 P2 -","- C38 H48 Li2 O2 P2 -","- C76 H96 Li4 O4 P4 -","2","0.5","","Blair, V. L.; Stevens, M. A.; Thompson, C. D.","The importance of the Lewis base in lithium mediated metallation and bond cleavage reaction of allyl amines and allyl phosphines.","Chemical communications (Cambridge, England)","2016","52","52","8111","8114","10.1039/c6cc03947b","","","0.71073","synchrotron","","0.0352","0.0343","","","0.0902","0.0908","","","","","","1.046","","","","has coordinates","234137","2020-10-21","18:00:00",""
"7124697","10.1275","0.0004","8.6095","0.0003","27.5008","0.0012","90","","91.558","0.003","90","","2396.98","0.16","123","2","123","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H37 Li N4 -","- C24 H37 Li N4 -","- C96 H148 Li4 N16 -","4","1","","Blair, V. L.; Stevens, M. A.; Thompson, C. D.","The importance of the Lewis base in lithium mediated metallation and bond cleavage reaction of allyl amines and allyl phosphines.","Chemical communications (Cambridge, England)","2016","52","52","8111","8114","10.1039/c6cc03947b","","","0.71073","MoKα","","0.0898","0.0478","","","0.0979","0.1154","","","","","","1.005","","","","has coordinates,has disorder","234137","2020-10-21","18:00:00",""
"7124698","26.8526","0.0007","13.8261","0.0004","26.9848","0.0007","90","","111.812","0.001","90","","9301.3","0.4","100","1","100","1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C51 H57 N9 O6 -","- C51 H57 N9 O6 -","- C408 H456 N72 O48 -","8","2","","Pfletscher, Michael; Wölper, Christoph; Gutmann, Jochen S.; Mezger, Markus; Giese, Michael","A modular approach towards functional supramolecular aggregates - subtle structural differences inducing liquid crystallinity.","Chemical communications (Cambridge, England)","2016","52","55","8549","8552","10.1039/c6cc03966a","","","0.71073","MoKα","","0.1297","0.0592","","","0.1373","0.1749","","","","","","1.026","","","","has coordinates,has disorder","234139","2020-10-21","18:00:00",""
"7124699","12.1709","0.0006","14.4443","0.0006","15.9292","0.0007","90","","97.855","0.002","90","","2774.1","0.2","120","2","120","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","(MeSiP2)CoBr","(MeSiP2)CoBr","","- C25 H39 Br Co P2 Si -","- C25 H39 Br Co P2 Si -","- C100 H156 Br4 Co4 P8 Si4 -","4","1","","Kim, Jin; Kim, Yujeong; Sinha, Indranil; Park, Koeun; Kim, Sun Hee; Lee, Yunho","The unusual hydridicity of a cobalt bound Si-H moiety.","Chemical communications (Cambridge, England)","2016","52","60","9367","9370","10.1039/c6cc03983a","","","0.71073","MoKα","","0.043","0.0324","","","0.079","0.0843","","","","","","1.036","","","","has coordinates","234143","2020-10-21","18:00:00",""
"7124700","11.0181","0.001","18.0167","0.0017","15.4914","0.0015","90","","98.734","0.003","90","","3039.5","0.5","120","2","120","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","(PhSiP2)CoBr","(PhSiP2)CoBr","","- C30 H41 Br Co P2 Si -","- C30 H41 Br Co P2 Si -","- C120 H164 Br4 Co4 P8 Si4 -","4","1","","Kim, Jin; Kim, Yujeong; Sinha, Indranil; Park, Koeun; Kim, Sun Hee; Lee, Yunho","The unusual hydridicity of a cobalt bound Si-H moiety.","Chemical communications (Cambridge, England)","2016","52","60","9367","9370","10.1039/c6cc03983a","","","0.71073","MoKα","","0.0889","0.0533","","","0.1167","0.1326","","","","","","1.062","","","","has coordinates","234143","2020-10-21","18:00:00",""
"7124701","17.6793","0.0006","16.195","0.0006","23.2286","0.0008","90","","90","","90","","6650.7","0.4","120","2","120","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","[MeSiHPH2][CoBr4]","[MeSiHPH2][CoBr4]","","- C25 H42 Br4 Co P2 Si -","- C25 H42 Br4 Co P2 Si -","- C200 H336 Br32 Co8 P16 Si8 -","8","1","","Kim, Jin; Kim, Yujeong; Sinha, Indranil; Park, Koeun; Kim, Sun Hee; Lee, Yunho","The unusual hydridicity of a cobalt bound Si-H moiety.","Chemical communications (Cambridge, England)","2016","52","60","9367","9370","10.1039/c6cc03983a","","","0.71073","MoKα","","0.1037","0.0411","","","0.07","0.0851","","","","","","1.019","","","","has coordinates","234143","2020-10-21","18:00:00",""
"7124702","13.1415","0.0006","14.3471","0.0006","16.6192","0.0007","90","","112.798","0.002","90","","2888.6","0.2","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","PhSiHP2","PhSiHP2","","- C30 H42 P2 Si -","- C30 H42 P2 Si -","- C120 H168 P8 Si4 -","4","1","","Kim, Jin; Kim, Yujeong; Sinha, Indranil; Park, Koeun; Kim, Sun Hee; Lee, Yunho","The unusual hydridicity of a cobalt bound Si-H moiety.","Chemical communications (Cambridge, England)","2016","52","60","9367","9370","10.1039/c6cc03983a","","","0.71073","MoKα","","0.0621","0.0411","","","0.0906","0.1016","","","","","","1.031","","","","has coordinates","234143","2020-10-21","18:00:00",""
"7124703","17.1233","0.0013","9.7303","0.0008","17.9002","0.0013","90","","110.977","0.002","90","","2784.8","0.4","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","(MeSiHP2)CoBr2","(MeSiHP2)CoBr2","","- C25 H40 Br2 Co P2 Si -","- C25 H39 Br2 Co P2 Si -","- C100 H156 Br8 Co4 P8 Si4 -","4","1","","Kim, Jin; Kim, Yujeong; Sinha, Indranil; Park, Koeun; Kim, Sun Hee; Lee, Yunho","The unusual hydridicity of a cobalt bound Si-H moiety.","Chemical communications (Cambridge, England)","2016","52","60","9367","9370","10.1039/c6cc03983a","","","0.71073","MoKα","","0.1535","0.0664","","","0.1046","0.1259","","","","","","1.012","","","","has coordinates","234143","2020-10-21","18:00:00",""
"7124704","12.3228","0.0007","13.1299","0.0006","26.5742","0.0015","90","","90","","90","","4299.6","0.4","120","2","120","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","[Et3NH]2[CoBr4]","[Et3NH]2[CoBr4]","","- C12 H32 Br4 Co N2 -","- C12 H32 Br4 Co N2 -","- C96 H256 Br32 Co8 N16 -","8","1","","Kim, Jin; Kim, Yujeong; Sinha, Indranil; Park, Koeun; Kim, Sun Hee; Lee, Yunho","The unusual hydridicity of a cobalt bound Si-H moiety.","Chemical communications (Cambridge, England)","2016","52","60","9367","9370","10.1039/c6cc03983a","","","0.71073","MoKα","","0.0692","0.0454","","","0.0966","0.1077","","","","","","1.051","","","","has coordinates","234143","2020-10-21","18:00:00",""
"7124705","17.387","0.003","11.5644","0.0017","15.641","0.002","90","","92.891","0.005","90","","3140.9","0.8","120","2","120","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","(PhSiHP2)CoBr2","(PhSiHP2)CoBr2","","- C30 H42 Br2 Co P2 Si -","- C30 H41 Br2 Co P2 Si -","- C120 H164 Br8 Co4 P8 Si4 -","4","1","","Kim, Jin; Kim, Yujeong; Sinha, Indranil; Park, Koeun; Kim, Sun Hee; Lee, Yunho","The unusual hydridicity of a cobalt bound Si-H moiety.","Chemical communications (Cambridge, England)","2016","52","60","9367","9370","10.1039/c6cc03983a","","","0.71073","MoKα","","0.1694","0.1175","","","0.2","0.2229","","","","","","1.114","","","","has coordinates","234143","2020-10-21","18:00:00",""
"7124706","15.8008","0.0007","16.2412","0.0011","19.6284","0.0011","107.027","0.004","102.696","0.003","109.127","0.002","4263.5","0.5","296","2","296.15","","","","","","","","","7","P -1","-P 1","2","","","","- C62 H59 F12 N11 O11 P2 Ru3 -","- C62 H59 F12 N11 O11 P2 Ru3 -","- C124 H118 F24 N22 O22 P4 Ru6 -","2","1","","Zhang, Biaobiao; Li, Fei; Zhang, Rong; Ma, Chengbing; Chen, Lin; Sun, Licheng","Characterization of a trinuclear ruthenium species in catalytic water oxidation by Ru(bda)(pic)2 in neutral media.","Chemical communications (Cambridge, England)","2016","52","55","8619","8622","10.1039/c6cc04003a","","","0.71073","MoKα","","0.1127","0.0706","","","0.1891","0.216","","","","","","1.04","","","","has coordinates","234146","2020-10-21","18:00:00",""
"7124707","26.853","0.002","10.1988","0.001","27.005","0.003","90","","90","","90","","7395.8","1.2","100","2","100","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C47 H34 N6 O3 -","- C47 H34 N6 O3 -","- C376 H272 N48 O24 -","8","2","","Luciano, M.; Tardie, W.; Zeller, M.; Brückner, C","Supersizing pyrrole-modified porphyrins by reversal of the 'breaking and mending' strategy.","Chemical communications (Cambridge, England)","2016","52","66","10133","10136","10.1039/c6cc04028d","","","1.54178","CuKα","","0.2411","0.157","","","0.3456","0.4136","","","","","","1.046","","","","has coordinates","234148","2020-10-21","18:00:00",""
"7124708","11.887","0.0004","10.4572","0.0004","14.8193","0.0005","90","","100.36","0.001","90","","1812.08","0.11","173","2","173","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C24 H20 O3 -","- C24 H20 O3 -","- C96 H80 O12 -","4","1","","Ma, Ben; Wu, Ziang; Huang, Ben; Liu, Lu; Zhang, Junliang","Gold-catalysed facile access to indene scaffolds via sequential C-H functionalization and 5-endo-dig carbocyclization.","Chemical communications (Cambridge, England)","2016","52","60","9351","9354","10.1039/c6cc04034a","","","0.71073","MoKα","","0.0853","0.0698","","","0.1698","0.1809","","","","","","1.058","","","","has coordinates","234150","2020-10-21","18:00:00",""
"7124709","12.6203","0.0007","10.0898","0.0006","15.4768","0.0009","90","","106.857","0.002","90","","1886.08","0.19","296","2","296","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C24 H20 O4 -","- C24 H20 O4 -","- C96 H80 O16 -","4","1","","Ma, Ben; Wu, Ziang; Huang, Ben; Liu, Lu; Zhang, Junliang","Gold-catalysed facile access to indene scaffolds via sequential C-H functionalization and 5-endo-dig carbocyclization.","Chemical communications (Cambridge, England)","2016","52","60","9351","9354","10.1039/c6cc04034a","","","0.71073","MoKα","","0.0421","0.0343","","","0.0896","0.0964","","","","","","1.02","","","","has coordinates","234150","2020-10-21","18:00:00",""
"7124710","8.0971","0.0003","11.2035","0.0004","12.1077","0.0004","87.795","0.001","71.122","0.001","74.233","0.001","998.7","0.06","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C23 H16 Br2 O4 -","- C23 H16 Br2 O4 -","- C46 H32 Br4 O8 -","2","1","","Ma, Ben; Wu, Ziang; Huang, Ben; Liu, Lu; Zhang, Junliang","Gold-catalysed facile access to indene scaffolds via sequential C-H functionalization and 5-endo-dig carbocyclization.","Chemical communications (Cambridge, England)","2016","52","60","9351","9354","10.1039/c6cc04034a","","","0.71073","MoKα","","0.0366","0.0295","","","0.0742","0.078","","","","","","1.045","","","","has coordinates","234150","2020-10-21","18:00:00",""
"7124711","12.3202","0.0014","4.6501","0.0005","32.022","0.004","90","","90","","90","","1834.5","0.4","120","2","120","2","","","","","","","","4","P c a 21","P 2c -2ac","29","Chlorphenesin","3-(p-Chlorophenoxy)propane-1,2-diol","","- C18 H22 Cl2 O6 -","- C18 H22 Cl2 O6 -","- C72 H88 Cl8 O24 -","4","1","","Kaufmann, Lena; Kennedy, Stuart R.; Jones, Christopher D.; Steed, Jonathan W.","Cavity-containing supramolecular gels as a crystallization tool for hydrophobic pharmaceuticals.","Chemical communications (Cambridge, England)","2016","52","66","10113","10116","10.1039/c6cc04037c","","","0.71073","MoKα","","0.1131","0.0591","","","0.0948","0.108","","","","","","1.03","","","","has coordinates","234152","2020-10-21","18:00:00",""
"7124712","9.7393","0.0012","9.7393","0.0012","18.532","0.003","90","","90","","120","","1522.3","0.4","293","2","293","2","","","","","","","","6","P 31","P 31","144","","(S)-Diisopropyl(2,2-dioxido-4-phenyl-3,4-dihydrobenzo[e][1,2,3]oxathiazin-4-yl)phosphonate","","- C19 H24 N O6 P S -","- C19 H24 N O6 P S -","- C57 H72 N3 O18 P3 S3 -","3","1","","Yan, Zhong; Wu, Bo; Gao, Xiang; Zhou, Yong-Gui","Enantioselective synthesis of quaternary α-aminophosphonates by Pd-catalyzed arylation of cyclic α-ketiminophosphonates with arylboronic acids.","Chemical communications (Cambridge, England)","2016","52","72","10882","10885","10.1039/c6cc04096a","","","0.71073","MoKα","","0.0409","0.0381","","","0.0876","0.0892","","","","","","1.036","","","","has coordinates","234154","2020-10-21","18:00:00",""
"7124713","14.5223","0.0019","14.5223","0.0019","10.2703","0.0012","90","","90","","120","","1875.8","0.4","110","2","110","2","","","","","","","","5","P 63","P 6c","173","","tris-(4-methylthiazolyl)cyclotriguaiacylene hydrate","","- C36 H41 N3 O10 S3 -","- C36 H33 N3 O10 S3 -","- C72 H66 N6 O20 S6 -","2","0.333333","","Fowler, Jonathan M.; Thorp-Greenwood, Flora L; Warriner, Stuart L.; Willans, Charlotte E.; Hardie, Michaele J.","M12L8 metallo-supramolecular cube with cyclotriguaiacylene-type ligand: spontaneous resolution of cube and its constituent host ligand.","Chemical communications (Cambridge, England)","2016","52","56","8699","8702","10.1039/c6cc04130b","","x-ray","1.54184","CuKα","","0.1323","0.0886","","","0.226","0.2598","","","","","","0.997","","","","has coordinates","234157","2020-10-21","18:00:00",""
"7124714","35.7237","0.0004","35.7237","0.0004","35.7237","0.0004","90","","90","","90","","45590","0.9","120","2","120","2","","","","","","","","7","F 4 3 2","F 4 2 3","209","","octa[tris-(4-methylthiazolyl)cyclotriguaiacylene]dodecasilver(I)rhenate","","- C288 H264 Ag12 N24 O96 Re12 S24 -","- C288 H264 Ag12 N24 O96.02 Re12.02 S24 -","- C1152 H1056 Ag48 N96 O384.08 Re48.08 S96 -","4","0.0416667","","Fowler, Jonathan M.; Thorp-Greenwood, Flora L; Warriner, Stuart L.; Willans, Charlotte E.; Hardie, Michaele J.","M12L8 metallo-supramolecular cube with cyclotriguaiacylene-type ligand: spontaneous resolution of cube and its constituent host ligand.","Chemical communications (Cambridge, England)","2016","52","56","8699","8702","10.1039/c6cc04130b","","x-ray","1.54184","CuKα","","0.1086","0.0847","","","0.2499","0.2886","","","","","","1.035","","","","has coordinates","234157","2020-10-21","18:00:00",""
"7124715","35.4548","0.0007","35.4548","0.0007","35.4548","0.0007","90","","90","","90","","44568.2","1.5","120","2","120","2","","","","","","","","8","F 4 3 2","F 4 2 3","209","","octa[tris-(4-methylthiazolyl)cyclotriguaiacylene]dodecasilver(I)tetrafluoroborate","","- C288 H264 Ag12 B12 F48 N24 O48 S24 -","- C288 H264 Ag12 N24 O48 S24 -","- C1152 H1056 Ag48 N96 O192 S96 -","4","0.0416667","","Fowler, Jonathan M.; Thorp-Greenwood, Flora L; Warriner, Stuart L.; Willans, Charlotte E.; Hardie, Michaele J.","M12L8 metallo-supramolecular cube with cyclotriguaiacylene-type ligand: spontaneous resolution of cube and its constituent host ligand.","Chemical communications (Cambridge, England)","2016","52","56","8699","8702","10.1039/c6cc04130b","","x-ray","1.54184","CuKα","","0.0985","0.0718","","","0.2054","0.2256","","","","","","1.042","","","","has coordinates","234157","2020-10-21","18:00:00",""
"7124716","28.138","0.003","28.138","0.003","4.4445","0.0005","90","","90","","120","","3047.5","0.6","120","2","120","2","","","","","","","","5","R 3 :H","R 3","146","","tris-(4-methylthiazolyl)cyclotriguaiacylene nitromethane clathrate","","- C39 H42 N6 O12 S3 -","- C39 H42 N6 O12 S3 -","- C117 H126 N18 O36 S9 -","3","0.333333","","Fowler, Jonathan M.; Thorp-Greenwood, Flora L; Warriner, Stuart L.; Willans, Charlotte E.; Hardie, Michaele J.","M12L8 metallo-supramolecular cube with cyclotriguaiacylene-type ligand: spontaneous resolution of cube and its constituent host ligand.","Chemical communications (Cambridge, England)","2016","52","56","8699","8702","10.1039/c6cc04130b","","x-ray","1.54184","CuKα","","0.0965","0.0719","","","0.1663","0.1873","","","","","","1.052","","","","has coordinates","234157","2020-10-21","18:00:00",""
"7124717","14.018","0.0001","17.0222","0.0001","19.3743","0.0001","90","","90","","90","","4623.04","0.05","150","","150","","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C42.98 H46.96 Ag Cl3.96 N3 O4 P -","- C42.981 H46.96 Ag Cl3.961 N3 O4 P -","- C171.924 H187.84 Ag4 Cl15.844 N12 O16 P4 -","4","1","","de la Campa, Raquel; Gammack Yamagata, Adam D.; Ortín, Irene; Franchino, Allegra; Thompson, Amber L.; Odell, Barbara; Dixon, Darren J.","Catalytic enantio- and diastereoselective Mannich reaction of α-substituted isocyanoacetates and ketimines.","Chemical communications (Cambridge, England)","2016","52","70","10632","10635","10.1039/c6cc04132a","","","1.5418","CuKα","","0.0276","0.027","","0.0715","0.0709","0.0715","","","","","","1.0014","","","","has coordinates,has disorder","234159","2020-10-21","18:00:00",""
"7124718","9.4569","0.001","19.807","0.002","21.941","0.002","90","","96.83","0.002","90","","4080.7","0.7","296","2","296","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C28 H20 O2 -","- C28 H20 O2 -","- C224 H160 O16 -","8","4","","Zhang, Xin; Chen, Lin; Chen, Xiang-Yu; Zhang, Hanzhi; Yang, Liuqing; Yang, Fengchun","Effective separation of single-walled carbon nanotubes and their very different electrochemical behaviours.","Chemical communications (Cambridge, England)","2016","52","59","9287","9290","10.1039/c6cc04139f","","","0.71073","MoKα","","0.0736","0.0473","","","0.1067","0.1277","","","","","","1.017","","","","has coordinates","234161","2020-10-21","18:00:00",""
"7124719","10.784","0.003","10.784","0.003","10.863","0.003","90","","90","","120","","1094.1","0.5","296","2","296","2","","","","","","","","3","P 31","P 31","144","","","","- C20 H14 O2 -","- C20 H14 O2 -","- C60 H42 O6 -","3","1","","Zhang, Xin; Chen, Lin; Chen, Xiang-Yu; Zhang, Hanzhi; Yang, Liuqing; Yang, Fengchun","Effective separation of single-walled carbon nanotubes and their very different electrochemical behaviours.","Chemical communications (Cambridge, England)","2016","52","59","9287","9290","10.1039/c6cc04139f","","","0.71073","MoKα","","0.046","0.0372","","","0.0673","0.0717","","","","","","1.036","","","","has coordinates","234161","2020-10-21","18:00:00",""
"7124720","10.8759","0.0002","13.4395","0.0003","21.2985","0.0004","85.907","0.002","88.885","0.002","88.995","0.002","3104.2","0.11","123","2","123","2","","","","","","","","6","P -1","-P 1","2","","","","- C39 H84 Ge10 N7 O12 Rb2 -","- C39 H84 Ge10 N7 O12 Rb2 -","- C78 H168 Ge20 N14 O24 Rb4 -","2","1","","Bentlohner, Manuel M.; Fischer, Christina; Fässler, Thomas F","Synthesis and characterization of pristine closo-[Ge10](2.).","Chemical communications (Cambridge, England)","2016","52","63","9841","9843","10.1039/c6cc04143d","","","0.71073","MoKα","","0.0954","0.0407","","","0.0782","0.0908","","","","","","0.855","","","","has coordinates","234163","2020-10-21","18:00:00",""
"7124721","11.4777","0.0005","15.9325","0.0007","17.0968","0.0008","90","","103.233","0.002","90","","3043.4","0.2","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C38 H32 N4 O2 -","- C38 H32 N4 O2 -","- C152 H128 N16 O8 -","4","1","","Krick, Marcel; Holstein, Julian; Würtele, Christian; Clever, Guido H.","Endohedral dynamics of push-pull rotor-functionalized cages.","Chemical communications (Cambridge, England)","2016","52","68","10411","10414","10.1039/c6cc04155h","","","0.71073","MoKα","","0.0473","0.0411","","","0.1192","0.1246","","","","","","1.116","","","","has coordinates","234166","2020-10-21","18:00:00",""
"7124722","9.7141","0.0003","13.7175","0.0004","13.8642","0.0004","92.206","0.002","97.198","0.002","98.744","0.002","1808.46","0.09","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C46 H32 D8 N4 O3 -","- C46 H32 D8 N4 O3 -","- C92 H64 D16 N8 O6 -","2","1","","Krick, Marcel; Holstein, Julian; Würtele, Christian; Clever, Guido H.","Endohedral dynamics of push-pull rotor-functionalized cages.","Chemical communications (Cambridge, England)","2016","52","68","10411","10414","10.1039/c6cc04155h","","","1.54178","CuKα","","0.0643","0.0477","","","0.1094","0.1183","","","","","","1.047","","","","has coordinates,has disorder","234166","2020-10-21","18:00:00",""
"7124723","15.79","0.003","17.796","0.003","16.457","0.003","90","","104.672","0.004","90","","4473.6","1.4","103","2","103","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C40 H43 Br6 N9 P2 -","- C40 H43 Br6 N9 P2 -","- C160 H172 Br24 N36 P8 -","4","1","","Đorđević, Nemanja; Ganguly, Rakesh; Petković, Milena; Vidović, Dragoslav","Bis(carbodicarbene)phosphenium trication: the case against hypervalency.","Chemical communications (Cambridge, England)","2016","52","63","9789","9792","10.1039/c6cc04161b","","","0.71073","MoKα","","0.1305","0.0771","","","0.1104","0.1273","","","","","","1.062","","","","has coordinates","234168","2020-10-21","18:00:00",""
"7124724","12.1048","0.0003","13.7318","0.0004","16.1379","0.0005","108.884","0.0016","98.2298","0.0014","102.753","0.0014","2407.61","0.12","153","2","153","2","","","","","","","","8","P -1","-P 1","2","","","","- C84 H93.9 Br2 F24 N19.05 O0.47 P2 Sb4 -","- C84 H93.896 Br2 F24 N19.052 O0.474 P2 Sb4 -","- C84 H93.896 Br2 F24 N19.052 O0.474 P2 Sb4 -","1","0.5","","Đorđević, Nemanja; Ganguly, Rakesh; Petković, Milena; Vidović, Dragoslav","Bis(carbodicarbene)phosphenium trication: the case against hypervalency.","Chemical communications (Cambridge, England)","2016","52","63","9789","9792","10.1039/c6cc04161b","","","0.71073","MoKα","","0.117","0.0532","","","0.0988","0.1178","","","","","","1.021","","","","has coordinates,has disorder","234168","2020-10-21","18:00:00",""
"7124725","9.3318","0.0006","16.3035","0.0009","18.6019","0.001","94.673","0.002","90.768","0.002","100.362","0.002","2773.6","0.3","173","2","173","2","","","","","","","","3","P -1","-P 1","2","","","","- C38 H26 F2 -","- C38 H26 F2 -","- C152 H104 F8 -","4","2","","Zhuang, Zeyan; Shen, Pingchuan; Ding, Siyang; Luo, Wenwen; He, Bairong; Nie, Han; Wang, Bohan; Huang, Tianbai; Hu, Rongrong; Qin, Anjun; Zhao, Zujin; Tang, Ben Zhong","Synthesis, aggregation-enhanced emission, polymorphism and piezochromism of TPE-cored foldamers with through-space conjugation.","Chemical communications (Cambridge, England)","2016","52","72","10842","10845","10.1039/c6cc04233c","","","0.71073","MoKα","","0.1145","0.0486","","","0.0878","0.1049","","","","","","1.055","","","","has coordinates","234172","2020-10-21","18:00:00",""
"7124726","10.2875","0.001","9.5469","0.0008","30.516","0.003","90","","90.739","0.002","90","","2996.8","0.5","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C37 H28 Cl2 N2 -","- C37 H28 Cl2 N2 -","- C148 H112 Cl8 N8 -","4","1","","Zhuang, Zeyan; Shen, Pingchuan; Ding, Siyang; Luo, Wenwen; He, Bairong; Nie, Han; Wang, Bohan; Huang, Tianbai; Hu, Rongrong; Qin, Anjun; Zhao, Zujin; Tang, Ben Zhong","Synthesis, aggregation-enhanced emission, polymorphism and piezochromism of TPE-cored foldamers with through-space conjugation.","Chemical communications (Cambridge, England)","2016","52","72","10842","10845","10.1039/c6cc04233c","","","0.71073","MoKα","","0.1042","0.0524","","","0.1159","0.1383","","","","","","1.044","","","","has coordinates","234172","2020-10-21","18:00:00",""
"7124727","9.6317","0.0006","9.5173","0.0005","33.0419","0.0018","90","","96.269","0.002","90","","3010.8","0.3","173","2","173","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C40 H32 S2 -","- C40 H32 S2 -","- C160 H128 S8 -","4","1","","Zhuang, Zeyan; Shen, Pingchuan; Ding, Siyang; Luo, Wenwen; He, Bairong; Nie, Han; Wang, Bohan; Huang, Tianbai; Hu, Rongrong; Qin, Anjun; Zhao, Zujin; Tang, Ben Zhong","Synthesis, aggregation-enhanced emission, polymorphism and piezochromism of TPE-cored foldamers with through-space conjugation.","Chemical communications (Cambridge, England)","2016","52","72","10842","10845","10.1039/c6cc04233c","","","0.71073","MoKα","","0.0776","0.0455","","","0.0977","0.109","","","","","","1.035","","","","has coordinates","234172","2020-10-21","18:00:00",""
"7124728","16.2653","0.0011","11.5962","0.0006","18.2995","0.0016","90","","115.9","0.002","90","","3104.9","0.4","173","2","173","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C40 H32 S2 -","- C40 H32 S2 -","- C160 H128 S8 -","4","1","","Zhuang, Zeyan; Shen, Pingchuan; Ding, Siyang; Luo, Wenwen; He, Bairong; Nie, Han; Wang, Bohan; Huang, Tianbai; Hu, Rongrong; Qin, Anjun; Zhao, Zujin; Tang, Ben Zhong","Synthesis, aggregation-enhanced emission, polymorphism and piezochromism of TPE-cored foldamers with through-space conjugation.","Chemical communications (Cambridge, England)","2016","52","72","10842","10845","10.1039/c6cc04233c","","","0.71073","MoKα","","0.0907","0.0446","","","0.0882","0.1053","","","","","","1.032","","","","has coordinates","234172","2020-10-21","18:00:00",""
"7124729","11.5187","0.0001","12.8279","0.0002","23.1283","0.0003","90","","96.529","0.001","90","","3395.29","0.08","140","2","140","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C35 H36 Br Cl4 Ir N2 -","- C35 H36 Br Cl4 Ir N2 -","- C140 H144 Br4 Cl16 Ir4 N8 -","4","1","","Hellou, Nora; Jahier-Diallo, Claire; Baslé, Olivier; Srebro-Hooper, Monika; Toupet, Loïc; Roisnel, Thierry; Caytan, Elsa; Roussel, Christian; Vanthuyne, Nicolas; Autschbach, Jochen; Mauduit, Marc; Crassous, Jeanne","Electronic and chiroptical properties of chiral cycloiridiated complexes bearing helicenic NHC ligands.","Chemical communications (Cambridge, England)","2016","52","59","9243","9246","10.1039/c6cc04257k","","","0.71073","MoKα","","0.0471","0.0375","","","0.0941","0.103","","","","","","1.11","","","","has coordinates","234174","2020-10-21","18:00:00",""
"7124730","13.7643","0.0008","14.1122","0.0007","16.9238","0.0009","90","","90","","90","","3287.4","0.3","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C41 H36 Br Ir N2 -","- C41 H36 Br Ir N2 -","- C164 H144 Br4 Ir4 N8 -","4","1","","Hellou, Nora; Jahier-Diallo, Claire; Baslé, Olivier; Srebro-Hooper, Monika; Toupet, Loïc; Roisnel, Thierry; Caytan, Elsa; Roussel, Christian; Vanthuyne, Nicolas; Autschbach, Jochen; Mauduit, Marc; Crassous, Jeanne","Electronic and chiroptical properties of chiral cycloiridiated complexes bearing helicenic NHC ligands.","Chemical communications (Cambridge, England)","2016","52","59","9243","9246","10.1039/c6cc04257k","","x-ray","1.54184","CuKα","","0.0204","0.0203","","","0.0544","0.0544","","","","","","1.044","","","","has coordinates","234174","2020-10-21","18:00:00",""
"7124731","9.2873","0.0008","16.9087","0.0016","17.495","0.0016","90","","90","","90","","2747.3","0.4","150","","150","","","","","","","","synthesis as described","5","P 21 21 21","P 2ac 2ab","19","","","","- C33 H32 Br Ir N2 -","- C33 H32 Br Ir N2 -","- C132 H128 Br4 Ir4 N8 -","4","1","","Hellou, Nora; Jahier-Diallo, Claire; Baslé, Olivier; Srebro-Hooper, Monika; Toupet, Loïc; Roisnel, Thierry; Caytan, Elsa; Roussel, Christian; Vanthuyne, Nicolas; Autschbach, Jochen; Mauduit, Marc; Crassous, Jeanne","Electronic and chiroptical properties of chiral cycloiridiated complexes bearing helicenic NHC ligands.","Chemical communications (Cambridge, England)","2016","52","59","9243","9246","10.1039/c6cc04257k","","x-ray","0.71073","MoKα","","0.0681","0.0487","","","0.1137","0.1267","","","","","","1.138","","","","has coordinates","234174","2020-10-21","18:00:00",""
"7124732","9.797","0.0002","9.3477","0.0002","19.3037","0.0005","90","","103.385","0.001","90","","1719.8","0.07","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C20 H20 N2 O2 -","- C20 H20 N2 O2 -","- C80 H80 N8 O8 -","4","1","","Kim, Won Young; Shi, Hu; Jung, Hyo Sung; Cho, Daeheum; Verwilst, Peter; Lee, Jin Yong; Kim, Jong Seung","Coumarin-decorated Schiff base hydrolysis as an efficient driving force for the fluorescence detection of water in organic solvents.","Chemical communications (Cambridge, England)","2016","52","56","8675","8678","10.1039/c6cc04285f","","","0.71073","MoKα","","0.0819","0.0507","","","0.1422","0.1623","","","","","","1.043","","","","has coordinates","234176","2020-10-21","18:00:00",""
"7124733","7.9685","0.0009","10.0372","0.0013","20.628","0.003","90","","91.778","0.008","90","","1649.1","0.4","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H19 N3 O2 -","- C19 H19 N3 O2 -","- C76 H76 N12 O8 -","4","1","","Kim, Won Young; Shi, Hu; Jung, Hyo Sung; Cho, Daeheum; Verwilst, Peter; Lee, Jin Yong; Kim, Jong Seung","Coumarin-decorated Schiff base hydrolysis as an efficient driving force for the fluorescence detection of water in organic solvents.","Chemical communications (Cambridge, England)","2016","52","56","8675","8678","10.1039/c6cc04285f","","","0.71073","MoKα","","0.1772","0.0648","","","0.1466","0.1963","","","","","","0.912","","","","has coordinates","234176","2020-10-21","18:00:00",""
"7124734","8.2754","0.0017","12.082","0.002","13.332","0.003","90","","90","","90","","1333","0.5","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C14 H14 F N O3 -","- C14 H14 F N O3 -","- C56 H56 F4 N4 O12 -","4","1","","Liu, Jianchao; Xu, Xiaobing; Li, Jiuyi; Liu, Bo; Jiang, Huanfeng; Yin, Biaolin","Palladium-catalyzed dearomatizing 2,5-alkoxyarylation of furan rings: diastereospecific access to spirooxindoles.","Chemical communications (Cambridge, England)","2016","52","61","9550","9553","10.1039/c6cc04298h","","","0.71073","MoKα","","0.0513","0.033","","","0.0777","0.0902","","","","","","1.008","","","","has coordinates","234178","2020-10-21","18:00:00",""
"7124735","14.349","0.003","7.2477","0.0014","14.692","0.003","90","","105.12","0.03","90","","1475","0.6","571","2","571","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C17 H19 N O4 -","- C17 H19 N O4 -","- C68 H76 N4 O16 -","4","1","","Liu, Jianchao; Xu, Xiaobing; Li, Jiuyi; Liu, Bo; Jiang, Huanfeng; Yin, Biaolin","Palladium-catalyzed dearomatizing 2,5-alkoxyarylation of furan rings: diastereospecific access to spirooxindoles.","Chemical communications (Cambridge, England)","2016","52","61","9550","9553","10.1039/c6cc04298h","","","0.71073","MoKα","","0.156","0.0476","","","0.0894","0.1202","","","","","","0.845","","","","has coordinates","234178","2020-10-21","18:00:00",""
"7124736","6.0661","0.0004","7.8841","0.0005","12.8564","0.0008","91.07","0.004","94.098","0.004","97.33","0.003","608.04","0.07","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C14 H12 N2 O2 -","- C14 H12 N2 O2 -","- C28 H24 N4 O4 -","2","1","","Singh, RahulKumar Rajmani; Pawar, Samir Kundlik; Huang, Min-Jie; Liu, Rai-Shung","Gold-catalyzed [3+2]-annulations of α-aryl diazonitriles with ynamides and allenamides to yield 1-amino-1H-indenes.","Chemical communications (Cambridge, England)","2016","52","76","11434","11437","10.1039/c6cc04308a","","","0.71073","MoKα","","0.0609","0.046","","","0.135","0.1556","","","","","","1.127","","","","has coordinates","234180","2020-10-21","18:00:00",""
"7124737","9.2837","0.0004","9.9699","0.0004","9.9836","0.0004","92.401","0.002","112.162","0.002","116.147","0.002","743.75","0.06","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C16 H16 N2 O2 -","- C16 H18 N2 O3 -","- C32 H36 N4 O6 -","2","1","","Singh, RahulKumar Rajmani; Pawar, Samir Kundlik; Huang, Min-Jie; Liu, Rai-Shung","Gold-catalyzed [3+2]-annulations of α-aryl diazonitriles with ynamides and allenamides to yield 1-amino-1H-indenes.","Chemical communications (Cambridge, England)","2016","52","76","11434","11437","10.1039/c6cc04308a","","","0.71073","MoKα","","0.0601","0.049","","","0.1503","0.1634","","","","","","1.091","","","","has coordinates","234180","2020-10-21","18:00:00",""
"7124738","8.4209","0.0005","28.5775","0.0016","6.9049","0.0004","90","","101.544","0.002","90","","1628.04","0.16","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H16 N2 O2 S -","- C18 H16 N2 O2 S -","- C72 H64 N8 O8 S4 -","4","1","","Singh, RahulKumar Rajmani; Pawar, Samir Kundlik; Huang, Min-Jie; Liu, Rai-Shung","Gold-catalyzed [3+2]-annulations of α-aryl diazonitriles with ynamides and allenamides to yield 1-amino-1H-indenes.","Chemical communications (Cambridge, England)","2016","52","76","11434","11437","10.1039/c6cc04308a","","","0.71073","MoKα","","0.0405","0.0341","","","0.0965","0.1087","","","","","","1.138","","","","has coordinates","234180","2020-10-21","18:00:00",""
"7124739","6.5556","0.0003","11.4813","0.0006","12.6356","0.0007","113.781","0.003","98.198","0.003","93.092","0.003","854.85","0.08","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H17 N O4 S -","- C18 H17 N O4 S -","- C36 H34 N2 O8 S2 -","2","1","","Singh, RahulKumar Rajmani; Pawar, Samir Kundlik; Huang, Min-Jie; Liu, Rai-Shung","Gold-catalyzed [3+2]-annulations of α-aryl diazonitriles with ynamides and allenamides to yield 1-amino-1H-indenes.","Chemical communications (Cambridge, England)","2016","52","76","11434","11437","10.1039/c6cc04308a","","","0.71073","MoKα","","0.0685","0.0454","","","0.1305","0.1637","","","","","","1.126","","","","has coordinates","234180","2020-10-21","18:00:00",""
"7124740","16.2768","0.0007","16.3003","0.0007","23.6077","0.0008","94.242","0.003","95.588","0.003","115.579","0.004","5575.6","0.4","100","","100","","","","","","","","","5","P -1","-P 1","2","","hexakis(carboxyphenyl)dodecadehydrotribenzo[18]annulene, fullerene, N,N-dimethylformamide, 1,2,4-trichlorobenzene solvate","","- C162 H66 Cl8 N2 O14 -","- C162 H66 Cl8 N2 O14 -","- C324 H132 Cl16 N4 O28 -","2","1","","Hisaki, Ichiro; Nakagawa, Shoichi; Sato, Hiroyasu; Tohnai, Norimitsu","Alignment of paired molecules of C60 within a hexagonal platform networked through hydrogen-bonds.","Chemical communications (Cambridge, England)","2016","52","63","9781","9784","10.1039/c6cc04310k","","","1.54187","CuKα","","0.2061","0.1414","","","0.3894","0.4453","","","","","","1.513","","","","has coordinates,has disorder","234183","2020-10-21","18:00:00",""
"7124741","13.8208","0.0004","17.4812","0.0006","24.2884","0.0009","76.082","0.003","87.204","0.003","70.991","0.003","5382.5","0.3","100","","100","","","","","","","","","4","P -1","-P 1","2","","hexakis(carboxyphenyl)dodecadehydrotribenzo[18]annulene, fullerene, 1,2,4-trichlorobenzene solvate","","- C156 H51 Cl8 O12 -","- C155.994 H51 Cl8 O12 -","- C311.988 H102 Cl16 O24 -","2","1","","Hisaki, Ichiro; Nakagawa, Shoichi; Sato, Hiroyasu; Tohnai, Norimitsu","Alignment of paired molecules of C60 within a hexagonal platform networked through hydrogen-bonds.","Chemical communications (Cambridge, England)","2016","52","63","9781","9784","10.1039/c6cc04310k","","","1.54187","CuKα","","0.2079","0.1497","","","0.4025","0.4352","","","","","","1.478","","","","has coordinates,has disorder","234183","2020-10-21","18:00:00",""
"7124742","12.0893","0.0003","17.1939","0.0004","24.6711","0.0006","104.88","0.002","90.051","0.0019","98.347","0.0019","4899.8","0.2","213","","213","","","","","","","","","5","P -1","-P 1","2","","hexakis(carboxyphenyl)dodecadehydrotribenzo[18]annulene 1,2-dichlorobenzene N,N-dimethylformamide solvate","","- C93 H55 Cl6 N O13 -","- C93 H55 Cl6 N O13 -","- C186 H110 Cl12 N2 O26 -","2","1","","Hisaki, Ichiro; Nakagawa, Shoichi; Sato, Hiroyasu; Tohnai, Norimitsu","Alignment of paired molecules of C60 within a hexagonal platform networked through hydrogen-bonds.","Chemical communications (Cambridge, England)","2016","52","63","9781","9784","10.1039/c6cc04310k","","","0.8","synchrotron","","0.1353","0.1254","","","0.3936","0.4149","","","","","","1.892","","","","has coordinates,has disorder","234183","2020-10-21","18:00:00",""
"7124743","13.7506","0.0003","7.06591","0.00011","19.8176","0.0004","90","","109.476","0.002","90","","1815.31","0.06","193","2","193","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","PPA-Ru(II) 5","","- C18 H23 Cl2 N O2 Ru -","- C18 H23 Cl2 N O2 Ru -","- C72 H92 Cl8 N4 O8 Ru4 -","4","1","","Ma, Lili; Ma, Rong; Wang, Zhigang; Yiu, Shek-Man; Zhu, Guangyu","Heterodinuclear Pt(iv)-Ru(ii) anticancer prodrugs to combat both drug resistance and tumor metastasis.","Chemical communications (Cambridge, England)","2016","52","71","10735","10738","10.1039/c6cc04354b","","","1.54178","CuKα","","0.0565","0.0539","","","0.1584","0.164","","","","","","1.105","","","","has coordinates","234185","2020-10-21","18:00:00",""
"7124744","8.8701","0.0003","12.497","0.0004","17.2431","0.0006","92.445","0.003","103.722","0.003","104.921","0.003","1783.24","0.11","193","2","193","2","","","","","","","","7","P -1","-P 1","2","","PPA-Pt(IV)","","- C9.5 H20 Cl3 N3 O4 Pt S0.5 -","- C9.5 H20 Cl3 N3 O4 Pt S0.5 -","- C38 H80 Cl12 N12 O16 Pt4 S2 -","4","2","","Ma, Lili; Ma, Rong; Wang, Zhigang; Yiu, Shek-Man; Zhu, Guangyu","Heterodinuclear Pt(iv)-Ru(ii) anticancer prodrugs to combat both drug resistance and tumor metastasis.","Chemical communications (Cambridge, England)","2016","52","71","10735","10738","10.1039/c6cc04354b","","","0.71073","MoKα","","0.0404","0.0304","","","0.0714","0.0789","","","","","","1.083","","","","has coordinates,has disorder","234185","2020-10-21","18:00:00",""
"7124745","12.8054","0.0014","12.7662","0.0014","20.774","0.002","90","","104.821","0.002","90","","3283.1","0.6","168","2","168","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H46 Ir O2 P3 -","- C28 H46 Ir O2 P3 -","- C112 H184 Ir4 O8 P12 -","4","1","","Paul, Ursula S. D.; Braunschweig, Holger; Radius, Udo","Iridium-catalysed dehydrocoupling of aryl phosphine-borane adducts: synthesis and characterisation of high molecular weight poly(phosphinoboranes).","Chemical communications (Cambridge, England)","2016","52","55","8573","8576","10.1039/c6cc04363a","","","0.71073","MoKα","","0.0243","0.0199","","","0.0463","0.0485","","","","","","1.069","","","","has coordinates","234188","2020-10-21","18:00:00",""
"7124746","10.2215","0.0011","11.864","0.0013","16.0253","0.0018","103.712","0.002","100.633","0.002","93.622","0.002","1843.9","0.4","168","2","168","2","","","","","","","","5","P -1","-P 1","2","","","","- C29 H48 Ir O2 P3 -","- C29 H48 Ir O2 P3 -","- C58 H96 Ir2 O4 P6 -","2","1","","Paul, Ursula S. D.; Braunschweig, Holger; Radius, Udo","Iridium-catalysed dehydrocoupling of aryl phosphine-borane adducts: synthesis and characterisation of high molecular weight poly(phosphinoboranes).","Chemical communications (Cambridge, England)","2016","52","55","8573","8576","10.1039/c6cc04363a","","","0.71073","MoKα","","0.0247","0.0218","","","0.0524","0.0541","","","","","","1.067","","","","has coordinates,has disorder","234188","2020-10-21","18:00:00",""
"7124747","10.5197","0.0011","20.993","0.002","30.334","0.003","90","","99.463","0.002","90","","6607.8","1.1","168","2","168","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C31 H52 Ir O2 P3 -","- C31 H52 Ir O2 P3 -","- C248 H416 Ir8 O16 P24 -","8","1","","Paul, Ursula S. D.; Braunschweig, Holger; Radius, Udo","Iridium-catalysed dehydrocoupling of aryl phosphine-borane adducts: synthesis and characterisation of high molecular weight poly(phosphinoboranes).","Chemical communications (Cambridge, England)","2016","52","55","8573","8576","10.1039/c6cc04363a","","","0.71073","MoKα","","0.0394","0.0328","","","0.0676","0.07","","","","","","1.212","","","","has coordinates,has disorder","234188","2020-10-21","18:00:00",""
"7124748","12.8121","0.0012","12.7747","0.0012","20.771","0.002","90","","104.573","0.001","90","","3290.2","0.5","168","2","168","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H48 Ir O2 P3 -","- C28 H48 Ir O2 P3 -","- C112 H192 Ir4 O8 P12 -","4","1","","Paul, Ursula S. D.; Braunschweig, Holger; Radius, Udo","Iridium-catalysed dehydrocoupling of aryl phosphine-borane adducts: synthesis and characterisation of high molecular weight poly(phosphinoboranes).","Chemical communications (Cambridge, England)","2016","52","55","8573","8576","10.1039/c6cc04363a","","","0.71073","MoKα","","0.0185","0.0161","","","0.0397","0.0404","","","","","","1.05","","","","has coordinates","234188","2020-10-21","18:00:00",""
"7124749","10.23","0.0009","11.9105","0.001","15.9818","0.0014","103.735","0.001","100.957","0.001","93.714","0.001","1844.8","0.3","168","2","168","2","","","","","","","","5","P -1","-P 1","2","","","","- C29 H50 Ir O2 P3 -","- C29 H50 Ir O2 P3 -","- C58 H100 Ir2 O4 P6 -","2","1","","Paul, Ursula S. D.; Braunschweig, Holger; Radius, Udo","Iridium-catalysed dehydrocoupling of aryl phosphine-borane adducts: synthesis and characterisation of high molecular weight poly(phosphinoboranes).","Chemical communications (Cambridge, England)","2016","52","55","8573","8576","10.1039/c6cc04363a","","","0.71073","MoKα","","0.0204","0.0187","","","0.0474","0.0482","","","","","","1.068","","","","has coordinates","234188","2020-10-21","18:00:00",""
"7124750","10.901","0.0013","12.686","0.0015","15.2272","0.0017","78.184","0.001","72.973","0.001","73.418","0.001","1912.8","0.4","168","2","168","2","","","","","","","","5","P -1","-P 1","2","","","","- C36 H66 Ir O2 P3 -","- C36 H66 Ir O2 P3 -","- C72 H132 Ir2 O4 P6 -","2","1","","Paul, Ursula S. D.; Braunschweig, Holger; Radius, Udo","Iridium-catalysed dehydrocoupling of aryl phosphine-borane adducts: synthesis and characterisation of high molecular weight poly(phosphinoboranes).","Chemical communications (Cambridge, England)","2016","52","55","8573","8576","10.1039/c6cc04363a","","","0.71073","MoKα","","0.0189","0.0176","","","0.0412","0.0418","","","","","","1.069","","","","has coordinates,has disorder","234188","2020-10-21","18:00:00",""
"7124751","7.2874","0.0003","14.4206","0.0005","15.0229","0.0006","64.011","0.004","79.684","0.003","83.373","0.003","1394.93","0.11","123","0.3","123","0.3","","","","","","","","4","P -1","-P 1","2","","","","- C40 H30 N2 O2 -","- C40 H30 N2 O2 -","- C80 H60 N4 O4 -","2","1","","Das, Amrita; Ghosh, Indrajit; König, Burkhard","Synthesis of pyrrolo[1,2-a]quinolines and ullazines by visible light mediated one- and twofold annulation of N-arylpyrroles with arylalkynes.","Chemical communications (Cambridge, England)","2016","52","56","8695","8698","10.1039/c6cc04366f","","x-ray","1.54184","CuKα","","0.0596","0.0547","","","0.1595","0.1658","","","","","","1.029","","","","has coordinates","234191","2020-10-21","18:00:00",""
"7124752","16.4245","0.0003","7.25848","0.00014","13.1153","0.0003","90","","108.39","0.002","90","","1483.72","0.05","123.01","0.1","123.01","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H14 Cl N O -","- C20 H14 Cl N O -","- C80 H56 Cl4 N4 O4 -","4","1","","Das, Amrita; Ghosh, Indrajit; König, Burkhard","Synthesis of pyrrolo[1,2-a]quinolines and ullazines by visible light mediated one- and twofold annulation of N-arylpyrroles with arylalkynes.","Chemical communications (Cambridge, England)","2016","52","56","8695","8698","10.1039/c6cc04366f","","x-ray","1.54184","CuKα","","0.0383","0.0327","","","0.0851","0.0893","","","","","","1.056","","","","has coordinates","234191","2020-10-21","18:00:00",""
"7124753","10.3206","0.0004","11.6585","0.0005","18.3971","0.0008","90","","90","","90","","2213.59","0.16","110","2","110","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","ME4","","","- C25 H24 Cl N3 O -","- C25 H24 Cl N3 O -","- C100 H96 Cl4 N12 O4 -","4","1","","Ma, Jiajia; Harms, Klaus; Meggers, Eric","Enantioselective rhodium/ruthenium photoredox catalysis en route to chiral 1,2-aminoalcohols.","Chemical communications (Cambridge, England)","2016","52","66","10183","10186","10.1039/c6cc04397f","","","0.71073","MoKα","","0.0447","0.0352","","","0.0705","0.0736","","","","","","1.06","","","","has coordinates","234193","2020-10-21","18:00:00",""
"7124754","17.1583","0.0011","17.7095","0.0011","18.8292","0.0012","66.918","0.002","69.054","0.002","76.796","0.002","4889.7","0.5","110","2","110","2","","","","","","","","9","P -1","-P 1","2","","","","- C48.4 H49.6 Cl2 F6 N4 O P Rh S2 -","- C48.4 H49.6 Cl2 F6 N4 O P Rh S2 -","- C193.6 H198.4 Cl8 F24 N16 O4 P4 Rh4 S8 -","4","2","","Ma, Jiajia; Harms, Klaus; Meggers, Eric","Enantioselective rhodium/ruthenium photoredox catalysis en route to chiral 1,2-aminoalcohols.","Chemical communications (Cambridge, England)","2016","52","66","10183","10186","10.1039/c6cc04397f","","","0.71073","MoKα","","0.0785","0.0565","","","0.1329","0.1437","","","","","","1.039","","","","has coordinates,has disorder","234193","2020-10-21","18:00:00",""
"7124755","12.0683","0.0006","10.1464","0.0005","12.6315","0.0006","90","","91.893","0.001","90","","1545.88","0.13","120","2","120","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C16 H46 Mo2 N2 Ni2 O16 -","- C16 H46 Mo2 N2 Ni2 O16 -","- C32 H92 Mo4 N4 Ni4 O32 -","2","0.5","","Kuznetsov, Denis A.; Konev, Dmitry V.; Komarova, Natal'ya S.; Ionov, Andrey M.; Mozhchil, Rais N.; Fedyanin, Ivan V.","Ni-based heterogeneous catalyst from a designed molecular precursor for the efficient electrochemical water oxidation.","Chemical communications (Cambridge, England)","2016","52","59","9255","9258","10.1039/c6cc04400j","","","0.71073","MoKα","","0.0264","0.0217","","","0.0502","0.0522","","","","","","1.04","","","","has coordinates","234195","2020-10-21","18:00:00",""
"7124756","42.9184","0.0007","20.7337","0.0003","28.9827","0.0004","90","","125.086","0.001","90","","21104.1","0.6","173","2","173","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C106 H74.5 B3.5 F13.88 I0.5 N21 O4 Pd2 -","- C106 H87 B3.487 F13.948 I0.513 N21 O4 Pd2 -","- C848 H696 B27.896 F111.584 I4.104 N168 O32 Pd16 -","8","1","","Li, Yu-Hao; Jiang, Ji-Jun; Fan, Yan-Zhong; Wei, Zhang-Wen; Chen, Cheng-Xia; Yu, Hui-Juan; Zheng, Shao-Ping; Fenske, Dieter; Su, Cheng-Yong; Barboiu, Mihail","Solvent- and anion-induced interconversions of metal-organic cages.","Chemical communications (Cambridge, England)","2016","52","56","8745","8748","10.1039/c6cc04420d","","","1.54178","CuKα","","0.0739","0.0547","","","0.1468","0.164","","","","","","1.033","","","","has coordinates,has disorder","234197","2020-10-21","18:00:00",""
"7124757","43.0462","0.0013","20.744","0.0004","28.9748","0.0007","90","","125.766","0.003","90","","20993.7","1.2","173","2","173","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C98 H75 B4 F16 N17 O4 Pd2 -","- C98 H75 B4 F16 N17 O4 Pd2 -","- C784 H600 B32 F128 N136 O32 Pd16 -","8","1","","Li, Yu-Hao; Jiang, Ji-Jun; Fan, Yan-Zhong; Wei, Zhang-Wen; Chen, Cheng-Xia; Yu, Hui-Juan; Zheng, Shao-Ping; Fenske, Dieter; Su, Cheng-Yong; Barboiu, Mihail","Solvent- and anion-induced interconversions of metal-organic cages.","Chemical communications (Cambridge, England)","2016","52","56","8745","8748","10.1039/c6cc04420d","","","1.54178","CuKα","","0.1496","0.0927","","","0.2049","0.2488","","","","","","1.045","","","","has coordinates","234197","2020-10-21","18:00:00",""
"7124758","16.792","0.003","19.978","0.004","23.171","0.005","102.93","0.03","101.11","0.03","112.55","0.03","6654","4","100","2","100","","","","","","","","","4","P -1","-P 1","2","","","","- C106 H56 N6 O2 -","- C106 H56 N6 O2 -","- C212 H112 N12 O4 -","2","1","","Burgun, Alexandre; Valente, Peter; Evans, Jack D.; Huang, David M.; Sumby, Christopher J.; Doonan, Christian J.","Endohedrally functionalised porous organic cages.","Chemical communications (Cambridge, England)","2016","52","57","8850","8853","10.1039/c6cc04423a","","","0.71073","Synchrotron","","0.1527","0.1241","","","0.3369","0.3559","","","","","","1.328","","","","has coordinates","234200","2020-10-21","18:00:00",""
"7124759","31.58","0.006","18.296","0.004","20.075","0.004","90","","90","","90","","11599","4","100","2","100","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C110 H60 N2 O2 -","- C110 H60.0002 N1.9998 O2 -","- C440.001 H240.001 N7.9992 O8 -","4","0.5","","Burgun, Alexandre; Valente, Peter; Evans, Jack D.; Huang, David M.; Sumby, Christopher J.; Doonan, Christian J.","Endohedrally functionalised porous organic cages.","Chemical communications (Cambridge, England)","2016","52","57","8850","8853","10.1039/c6cc04423a","","","0.71073","Synchrotron","","0.1068","0.0942","","","0.2643","0.2764","","","","","","1.084","","","","has coordinates,has disorder","234200","2020-10-21","18:00:00",""
"7124760","39.28","0.006","39.28","0.006","39.78","0.008","90","","90","","90","","61377","18","100","2","100","2","","","","","","","","4","I 41/a c d :2","-I 4bd 2c","142","","","","- C116 H66 N2 O2 -","- C116 H66.0002 N1.9998 O2 -","- C1856 H1056 N31.9968 O32 -","16","0.5","","Burgun, Alexandre; Valente, Peter; Evans, Jack D.; Huang, David M.; Sumby, Christopher J.; Doonan, Christian J.","Endohedrally functionalised porous organic cages.","Chemical communications (Cambridge, England)","2016","52","57","8850","8853","10.1039/c6cc04423a","","","0.71073","Synchrotron","","0.105","0.091","","","0.263","0.2806","","","","","","1.141","","","","has coordinates,has disorder","234200","2020-10-21","18:00:00",""
"7124761","8.0877","0.0004","8.9461","0.0004","10.5339","0.0005","93.626","0.002","92.834","0.002","94.652","0.002","756.99","0.06","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C17 H21 N O3 -","- C17 H21 N O3 -","- C34 H42 N2 O6 -","2","1","","Kaishap, Partha Pratim; Sarma, Bipul; Gogoi, Sanjib","The amide C-N bond of isatins as the directing group and the internal oxidant in Ru-catalyzed C-H activation and annulation reactions: access to 8-amido isocoumarins.","Chemical communications (Cambridge, England)","2016","52","63","9809","9812","10.1039/c6cc04461a","","","0.71073","MoKα","","0.0476","0.0447","","","0.1174","0.1211","","","","","","1.062","","","","has coordinates","234202","2020-10-21","18:00:00",""
"7124762","44.593","0.009","51.642","0.01","38.959","0.008","90","","107.1","0.03","90","","85751","3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C798 H638 Ca17 N72 O322 -","- C798 H710 Ca19 N72 O322 -","- C1596 H1420 Ca38 N144 O644 -","2","0.5","","Mandal, Pradeep K.; Kauffmann, Brice; Destecroix, Harry; Ferrand, Yann; Davis, Anthony P.; Huc, Ivan","Crystal structure of a complex between β-glucopyranose and a macrocyclic receptor with dendritic multicharged water solubilizing chains.","Chemical communications (Cambridge, England)","2016","52","60","9355","9358","10.1039/c6cc04466b","","","0.8726","synchrotronradiation","","0.1832","0.1428","","","0.4199","0.4574","","","","","","1.801","","","","has coordinates","234205","2020-10-21","18:00:00",""
"7124763","12.865","0.003","18.623","0.005","22.483","0.006","90","","90.143","0.004","90","","5387","2","123","2","123","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","Cis-DNP-Calix[4]pyrrole-TBABr","Cis-Dinitrophenyl-Calix[4]pyrrole-Tetrabutylammonium bromide","","- C54 H72 Br N9 O8 -","- C54 H72 Br N9 O8 -","- C216 H288 Br4 N36 O32 -","4","1","","Kim, Ajeong; Ali, Rashid; Park, Seok Ho; Kim, Yong-Hoon; Park, Jung Su","Probing and evaluating anion-π interaction in meso-dinitrophenyl functionalized calix[4]pyrrole isomers.","Chemical communications (Cambridge, England)","2016","52","74","11139","11142","10.1039/c6cc04562f","","","0.71075","MoKα","","0.1348","0.1197","","","0.2515","0.2598","","","","","","1.366","","","","has coordinates","234208","2020-10-21","18:00:00",""
"7124764","13.0109","0.0016","18.833","0.002","22.702","0.003","90","","90.423","0.003","90","","5562.6","1.2","223","2","223","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","Cis-DNP-Calix[4]pyrrole-TBACl","Cis-Dintrophenyl-calix[4]pyrrole-tetrabutylammonium chloride","","- C54 H72 Cl N9 O8 -","- C54 H72 Cl N9 O8 -","- C216 H288 Cl4 N36 O32 -","4","1","","Kim, Ajeong; Ali, Rashid; Park, Seok Ho; Kim, Yong-Hoon; Park, Jung Su","Probing and evaluating anion-π interaction in meso-dinitrophenyl functionalized calix[4]pyrrole isomers.","Chemical communications (Cambridge, England)","2016","52","74","11139","11142","10.1039/c6cc04562f","","","0.71075","MoKα","","0.1187","0.0666","","","0.1447","0.1677","","","","","","1.099","","","","has coordinates","234208","2020-10-21","18:00:00",""
"7124765","21.335","0.012","15.168","0.008","37.948","0.019","90","","90","","90","","12280","11","223","2","223","2","","","","","","","","5","P c a 21","P 2c -2ac","29","Cis-DNP-Calix[4]pyrrole-TBAI","Cis-dinitrophenyl-cali[4]pyrrole, terabutylammonium iodide","","- C54 H72 I N9 O8 -","- C54 H72 I N9 O8 -","- C432 H576 I8 N72 O64 -","8","2","","Kim, Ajeong; Ali, Rashid; Park, Seok Ho; Kim, Yong-Hoon; Park, Jung Su","Probing and evaluating anion-π interaction in meso-dinitrophenyl functionalized calix[4]pyrrole isomers.","Chemical communications (Cambridge, England)","2016","52","74","11139","11142","10.1039/c6cc04562f","","","0.71075","MoKα","","0.0916","0.0688","","","0.1835","0.209","","","","","","1.016","","","","has coordinates","234208","2020-10-21","18:00:00",""
"7124766","12.9168","0.0007","18.9009","0.001","22.5896","0.0012","90","","90.65","0.003","90","","5514.7","0.5","223","2","223","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","Cis-DNP-C4P-TBAF/Cl","Cis-Dintrophenyl-calix[4]pyrrole-Tetrabutylammonium fluoride/chloride","","- C54 H72 Cl0.63 F0.37 N9 O8 -","- C54 H72 Cl0.63 F0.37 N9 O8 -","- C216 H288 Cl2.52 F1.48 N36 O32 -","4","1","","Kim, Ajeong; Ali, Rashid; Park, Seok Ho; Kim, Yong-Hoon; Park, Jung Su","Probing and evaluating anion-π interaction in meso-dinitrophenyl functionalized calix[4]pyrrole isomers.","Chemical communications (Cambridge, England)","2016","52","74","11139","11142","10.1039/c6cc04562f","","","0.71075","MoKα","","0.1487","0.0757","","","0.1577","0.2084","","","","","","1.278","","","","has coordinates,has disorder","234208","2020-10-21","18:00:00",""
"7124767","18.5581","0.0012","19.3272","0.0012","23.1017","0.0015","86.218","0.002","87.845","0.002","81.721","0.002","8178.5","0.9","123","2","123","2","","","","","","","","6","P -1","-P 1","2","Cis-DNP-Calix[4]pyrrole-TBAH2PO4","Cis-dinitrophenyl-calix[4]pyrrole-tetrabutylammonium dihydrogenphosphate","","- C72 H116 Cl3 N10 O18 P2 -","- C72 H116 Cl3 N10 O18 P2 -","- C288 H464 Cl12 N40 O72 P8 -","4","2","","Kim, Ajeong; Ali, Rashid; Park, Seok Ho; Kim, Yong-Hoon; Park, Jung Su","Probing and evaluating anion-π interaction in meso-dinitrophenyl functionalized calix[4]pyrrole isomers.","Chemical communications (Cambridge, England)","2016","52","74","11139","11142","10.1039/c6cc04562f","","","0.71075","MoKα","","0.09","0.0686","","","0.1846","0.2032","","","","","","1.045","","","","has coordinates","234208","2020-10-21","18:00:00",""
"7124768","11.224","0.006","13.636","0.008","22.374","0.013","101.011","0.008","98.751","0.009","91.381","0.011","3317","3","123","2","123","2","","","","","","","","5","P -1","-P 1","2","DNP-Calix[4]pyrrole-TEAHCO3","Cis-dinitrophenyl-calix[4]pyrrole-tetraethylammonium hydrogencarbonate","","- C58 H60 Cl6 N10 O14 -","- C58 H60 Cl6 N10 O14 -","- C116 H120 Cl12 N20 O28 -","2","1","","Kim, Ajeong; Ali, Rashid; Park, Seok Ho; Kim, Yong-Hoon; Park, Jung Su","Probing and evaluating anion-π interaction in meso-dinitrophenyl functionalized calix[4]pyrrole isomers.","Chemical communications (Cambridge, England)","2016","52","74","11139","11142","10.1039/c6cc04562f","","","0.71075","MoKα","","0.1301","0.1123","","","0.2536","0.2644","","","","","","1.354","","","","has coordinates,has disorder","234208","2020-10-21","18:00:00",""
"7124769","14.239","0.003","21.245","0.004","24.51","0.005","90","","92.19","0.03","90","","7409","3","123","2","123","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","Cis-DNP-Calix[4]pyrrole-TBAHSO4","Cis-dinitrophenyl-calix[4]pyrrole-tetrabutylammonium chloride","","- C70 H110 N10 O16 S2 -","- C70 H110 N10 O16 S2 -","- C280 H440 N40 O64 S8 -","4","1","","Kim, Ajeong; Ali, Rashid; Park, Seok Ho; Kim, Yong-Hoon; Park, Jung Su","Probing and evaluating anion-π interaction in meso-dinitrophenyl functionalized calix[4]pyrrole isomers.","Chemical communications (Cambridge, England)","2016","52","74","11139","11142","10.1039/c6cc04562f","","","0.71073","MoKα","","0.0798","0.0504","","","0.1155","0.1292","","","","","","1.033","","","","has coordinates","234208","2020-10-21","18:00:00",""
"7124770","12.8705","0.0012","18.6776","0.0018","23.141","0.002","90","","90.418","0.002","90","","5562.7","0.9","223","2","223","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","Cis-DNP-Calix[4]pyrrole-TBANO3","Cis-Dinitrophenyl-calix[4]pyrrole-tetrabutylammonium nitrate","","- C54 H72 N10 O11 -","- C54 H72 N10 O11 -","- C216 H288 N40 O44 -","4","1","","Kim, Ajeong; Ali, Rashid; Park, Seok Ho; Kim, Yong-Hoon; Park, Jung Su","Probing and evaluating anion-π interaction in meso-dinitrophenyl functionalized calix[4]pyrrole isomers.","Chemical communications (Cambridge, England)","2016","52","74","11139","11142","10.1039/c6cc04562f","","","0.71075","MoKα","","0.1598","0.0688","","","0.1394","0.1714","","","","","","1.057","","","","has coordinates","234208","2020-10-21","18:00:00",""
"7124771","12.773","0.004","19.067","0.006","23.221","0.007","90","","91.69","0.004","90","","5653","3","223","2","223","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","Cis-DNP-Calix[4]pyrrole-TBAOAc","Cis-Dinitrophenyl-calix[4]pyrrole-etrabutylammonium acetate","","- C56 H75 N9 O10 -","- C56 H75 N9 O10 -","- C224 H300 N36 O40 -","4","1","","Kim, Ajeong; Ali, Rashid; Park, Seok Ho; Kim, Yong-Hoon; Park, Jung Su","Probing and evaluating anion-π interaction in meso-dinitrophenyl functionalized calix[4]pyrrole isomers.","Chemical communications (Cambridge, England)","2016","52","74","11139","11142","10.1039/c6cc04562f","","","0.71075","MoKα","","0.0968","0.0636","","","0.1269","0.1492","","","","","","1.196","","","","has coordinates","234208","2020-10-21","18:00:00",""
"7124772","14.3039","0.0016","17.603","0.002","20.104","0.002","64.648","0.006","74.715","0.007","86.046","0.007","4407.1","0.9","100.1","","100.1","","","","","","","","","5","P -1","-P 1","2","","","","- C87 H129 N4 O16 Zn2 -","- C87 H129 N4 O16 Zn2 -","- C174 H258 N8 O32 Zn4 -","2","1","","Gonawala, Sunalee; Leopoldino, Verônica R; Kpogo, Kenneth; Verani, Cláudio N","Langmuir-Blodgett films of salophen-based metallosurfactants as surface pretreatment coatings for corrosion mitigation.","Chemical communications (Cambridge, England)","2016","52","74","11155","11158","10.1039/c6cc04563d","","x-ray","0.71073","MoKα","","0.1996","0.1384","","","0.3298","0.359","","","","","","1.161","","","","has coordinates","234211","2020-10-21","18:00:00",""
"7124773","7.634","0.005","13.084","0.008","14.166","0.01","105.216","0.013","105.376","0.009","94.884","0.009","1298.1","1.5","298","2","298","2","","","","","","","","7","P -1","-P 1","2","","","","- C44 H28 Br4 N8 O12 Pb4 Pd -","- C44 H28 Br4 N8 O12 Pb4 Pd -","- C44 H28 Br4 N8 O12 Pb4 Pd -","1","0.5","","Dong, Ying; Li, Yue; Wei, Yong-Liang; Wang, Jian-Cheng; Ma, Jian-Ping; Ji, Jun; Yao, Bing-Jian; Dong, Yu-Bin","A N-heterocyclic tetracarbene Pd(ii) moiety containing a Pd(ii)-Pb(ii) bimetallic MOF for three-component cyclotrimerization via benzyne.","Chemical communications (Cambridge, England)","2016","52","69","10505","10508","10.1039/c6cc04570g","","","0.71073","MoKα","","0.1032","0.0718","","","0.1639","0.1723","","","","","","1.001","","","","has coordinates","234213","2020-10-21","18:00:00",""
"7124774","21.927","0.005","21.927","0.005","21.927","0.005","90","","90","","90","","10542","4","298","2","298.15","","","","","","","","","6","I -4 3 m","I -4 2 3","217","","","","- C126 H250 N10 O102 S4 V24 -","- C84 H132 O100 S4 V24 -","- C168 H264 O200 S8 V48 -","2","0.0416667","","Zhang, Yu-Teng; Wang, Xin-Long; Li, Shuang-Bao; Gong, Ya-Ru; Song, Bai-Qiao; Shao, Kui-Zhan; Su, Zhong-Min","Anderson-like alkoxo-polyoxovanadate clusters serving as unprecedented second building units to construct metal-organic polyhedra.","Chemical communications (Cambridge, England)","2016","52","62","9632","9635","10.1039/c6cc04583a","","","0.71069","MoKα","","0.0445","0.0351","","","0.072","0.0748","","","","","","1.032","","","","has coordinates","234216","2020-10-21","18:00:00",""
"7124775","21.841","0.005","21.841","0.005","21.841","0.005","90","0.005","90","0.005","90","0.005","10419","4","293","2","293","2","","","","","","","","6","I -4 3 m","I -4 2 3","217","","","","- C123.5 H250.5 N15.5 O101.5 S4 V24 -","- C84 H108 N6 O100 S4 V24 -","- C168 H216 N12 O200 S8 V48 -","2","0.0416667","","Zhang, Yu-Teng; Wang, Xin-Long; Li, Shuang-Bao; Gong, Ya-Ru; Song, Bai-Qiao; Shao, Kui-Zhan; Su, Zhong-Min","Anderson-like alkoxo-polyoxovanadate clusters serving as unprecedented second building units to construct metal-organic polyhedra.","Chemical communications (Cambridge, England)","2016","52","62","9632","9635","10.1039/c6cc04583a","","","0.71069","MoKα","","0.0439","0.0372","","","0.0882","0.0914","","","","","","1.032","","","","has coordinates","234216","2020-10-21","18:00:00",""
"7124776","22.108","0.005","22.108","0.005","22.108","0.005","90","","90","","90","","10806","4","298","2","298.15","","","","","","","","","6","I -4 3 m","I -4 2 3","217","","","","- C121 H152 Br6 O101 S4 V24 -","- C84 H108 Br6 O100 S4 V24 -","- C168 H216 Br12 O200 S8 V48 -","2","0.0416667","","Zhang, Yu-Teng; Wang, Xin-Long; Li, Shuang-Bao; Gong, Ya-Ru; Song, Bai-Qiao; Shao, Kui-Zhan; Su, Zhong-Min","Anderson-like alkoxo-polyoxovanadate clusters serving as unprecedented second building units to construct metal-organic polyhedra.","Chemical communications (Cambridge, England)","2016","52","62","9632","9635","10.1039/c6cc04583a","","","0.71069","MoKα","","0.0505","0.0389","","","0.0886","0.0925","","","","","","1.011","","","","has coordinates,has disorder","234216","2020-10-21","18:00:00",""
"7124777","21.848","0.005","21.848","0.005","19.081","0.005","90","0.005","90","0.005","90","0.005","9108","4","298","2","298.15","","","","","","","","","6","I -4","I -4","82","","","","- C106.5 H221.5 N8.5 O100.5 S4 V24 -","- C72 H120 O100 S4 V24 -","- C144 H240 O200 S8 V48 -","2","0.25","","Zhang, Yu-Teng; Wang, Xin-Long; Li, Shuang-Bao; Gong, Ya-Ru; Song, Bai-Qiao; Shao, Kui-Zhan; Su, Zhong-Min","Anderson-like alkoxo-polyoxovanadate clusters serving as unprecedented second building units to construct metal-organic polyhedra.","Chemical communications (Cambridge, England)","2016","52","62","9632","9635","10.1039/c6cc04583a","","","0.71069","MoKα","","0.0644","0.0418","","","0.0905","0.0975","","","","","","0.903","","","","has coordinates,has disorder","234216","2020-10-21","18:00:00",""
"7124778","28.983","0.005","28.983","0.005","25.744","0.005","90","","90","","90","","21625","7","298","2","298.15","","","","","","","","","6","I -4","I -4","82","","","","- C183.5 H280.5 N9.5 O101.5 S4 V24 -","- C144 H168 O100 S4 V24 -","- C288 H336 O200 S8 V48 -","2","0.25","","Zhang, Yu-Teng; Wang, Xin-Long; Li, Shuang-Bao; Gong, Ya-Ru; Song, Bai-Qiao; Shao, Kui-Zhan; Su, Zhong-Min","Anderson-like alkoxo-polyoxovanadate clusters serving as unprecedented second building units to construct metal-organic polyhedra.","Chemical communications (Cambridge, England)","2016","52","62","9632","9635","10.1039/c6cc04583a","","","0.71069","MoKα","","0.115","0.0474","","","0.1017","0.115","","","","","","0.763","","","","has coordinates,has disorder","234216","2020-10-21","18:00:00",""
"7124779","10.50766","0.00019","14.738","0.0002","35.4339","0.0006","90","","90","","90","","5487.36","0.15","293","","293","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C48 H69 N O6 Si2 -","- C48 H69 N O6 Si2 -","- C192 H276 N4 O24 Si8 -","4","1","","Gan, Zubao; Chu, Zhiwen; Hu, Jia; Su, Zhishan; Hu, Changwei; Gao, Lu; Song, Zhenlei","Tunable reactivity of geminal bis(silyl) enol derivatives leading to selective exo-IEDDA or Sakurai allylation with a β,γ-unsaturated ketoester.","Chemical communications (Cambridge, England)","2016","52","66","10137","10140","10.1039/c6cc04593f","","x-ray","1.54184","CuKα","","0.0624","0.0589","","","0.1553","0.1607","","","","","","1.041","","","","has coordinates","234218","2020-10-21","18:00:00",""
"7124780","17.8945","0.0006","19.5103","0.0006","20.507","0.0007","90.134","0.002","99.808","0.003","110.635","0.003","6587.2","0.4","180","0.1","180","0.1","","","","","","","","8","P -1","-P 1","2","","","","- C226 H226 Cl16 F24 N26 O68 Pd4 S8 -","- C208 H172 Cl16 F24 N8 O32 Pd4 S8 -","- C208 H172 Cl16 F24 N8 O32 Pd4 S8 -","1","0.5","","Szalóki, György; Croué, Vincent; Allain, Magali; Goeb, Sébastien; Sallé, Marc","Neutral versus polycationic coordination cages: a comparison regarding neutral guest inclusion.","Chemical communications (Cambridge, England)","2016","52","65","10012","10015","10.1039/c6cc04610j","","x-ray","1.54184","CuKα","","0.1165","0.0866","","","0.2317","0.2625","","","","","","0.969","","","","has coordinates,has disorder","234220","2020-10-21","18:00:00",""
"7124781","16.3201","0.0003","29.0112","0.0003","27.2545","0.0003","90","","105.883","0.001","90","","12411.4","0.3","120","2","120","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C210 H199 Cl16 F24 N21 O32 Pd4 S8 -","- C174 Cl16 F24 N8 O28 Pd4 S8 -","- C348 Cl32 F48 N16 O56 Pd8 S16 -","2","0.5","","Szalóki, György; Croué, Vincent; Allain, Magali; Goeb, Sébastien; Sallé, Marc","Neutral versus polycationic coordination cages: a comparison regarding neutral guest inclusion.","Chemical communications (Cambridge, England)","2016","52","65","10012","10015","10.1039/c6cc04610j","","x-ray","0.67","synchrotron","","0.1039","0.0794","","","0.2232","0.2423","","","","","","1.065","","","","has coordinates","234220","2020-10-21","18:00:00",""
"7124782","6.8103","0.0002","12.0335","0.0004","15.7289","0.0005","70.566","0.002","78.711","0.002","88.033","0.002","1191.39","0.07","173","2","173","2","","","","","","","","6","P -1","-P 1","2","Piperidine axle","","","- C21 H28 B2 F8 N2 O2 -","- C21 H28 B2 F8.003 N2 O2 -","- C42 H56 B4 F16.006 N4 O4 -","2","1","","Catalán, Aldo C; Tiburcio, Jorge","Self-assembly of pseudo-rotaxane and rotaxane complexes using an electrostatic slippage approach.","Chemical communications (Cambridge, England)","2016","52","61","9526","9529","10.1039/c6cc04619c","","","0.71073","MoKα","","0.0753","0.0567","","","0.1534","0.1678","","","","","","1.056","","","","has coordinates,has disorder","234222","2020-10-21","18:00:00",""
"7124783","22.3944","0.0003","10.7588","0.0002","19.4913","0.0003","90","","105.44","0.002","90","","4526.69","0.13","291","2","291","2","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","","","- C24 H25 N3 O4 -","- C24 H25 N3 O4 -","- C192 H200 N24 O32 -","8","1","","Ren, Shichao; Song, Shengjin; Ye, Lu; Feng, Chao; Loh, Teck-Peng","Copper-catalyzed oxyamination of electron-deficient alkenes with N-acyloxyamines.","Chemical communications (Cambridge, England)","2016","52","68","10373","10376","10.1039/c6cc04638j","","","1.54184","CuKα","","0.0787","0.0707","","","0.1977","0.2049","","","","","","1.055","","","","has coordinates","234224","2020-10-21","18:00:00",""
"7124784","31.23","0.005","17.481","0.003","26.747","0.004","90","","102.845","0.002","90","","14237","4","200","2","200","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","Ir-Co1","","- C118 H108 Cl6 Co3 Ir2 N24 O29 -","- C118 H100 Cl6 Co3 Ir2 N24 O29 -","- C472 H400 Cl24 Co12 Ir8 N96 O116 -","4","0.5","","Li, Xuezhao; Wu, Jinguo; Chen, Liyong; Zhong, Xiaoming; He, Cheng; Zhang, Rong; Duan, Chunying","Engineering an iridium-containing metal-organic molecular capsule for induced-fit geometrical conversion and dual catalysis.","Chemical communications (Cambridge, England)","2016","52","62","9628","9631","10.1039/c6cc04647a","","","0.71073","MoKα","","0.1024","0.0643","","","0.1654","0.1793","","","","","","1.049","","","","has coordinates,has disorder","234226","2020-10-21","18:00:00",""
"7124785","20.973","0.003","20.973","0.003","30.067","0.005","90","","90","","90","","13225","3","173","2","173","2","","","","","","","","7","P 43 21 2","P 4nw 2abw","96","","Ir-Co2","","- C121 H107 Cl4 Co3 Ir2 N25 O22 -","- C121 H103 Cl4 Co3 Ir2 N25 O22 -","- C484 H412 Cl16 Co12 Ir8 N100 O88 -","4","0.5","","Li, Xuezhao; Wu, Jinguo; Chen, Liyong; Zhong, Xiaoming; He, Cheng; Zhang, Rong; Duan, Chunying","Engineering an iridium-containing metal-organic molecular capsule for induced-fit geometrical conversion and dual catalysis.","Chemical communications (Cambridge, England)","2016","52","62","9628","9631","10.1039/c6cc04647a","","","0.71073","MoKα","","0.0887","0.0763","","","0.1987","0.2056","","","","","","1.023","","","","has coordinates","234226","2020-10-21","18:00:00",""
"7124786","9.5812","0.0012","10.2719","0.0013","12.371","0.002","114.389","0.002","96.569","0.003","105.237","0.002","1034.9","0.3","296","2","296","2","","","","","","","","3","P -1","-P 1","2","","","","- C29 H20 O -","- C29 H20 O -","- C58 H40 O2 -","2","1","","Chen, Ling; Cao, Jian; Xu, Zheng; Zheng, Zhan-Jiang; Cui, Yu-Ming; Xu, Li-Wen","Lewis acid catalyzed [2+2] cycloaddition of ynamides and propargyl silyl ethers: synthesis of alkylidenecyclobutenones and their reactivity in ring-opening and ring expansion.","Chemical communications (Cambridge, England)","2016","52","61","9574","9577","10.1039/c6cc04648g","","","0.71073","MoKα","","0.0543","0.0384","","","0.1027","0.1141","","","","","","1.027","","","","has coordinates","234229","2020-10-21","18:00:00",""
"7124787","9.688","0.003","9.724","0.003","14.142","0.004","92.269","0.009","93.742","0.009","99.428","0.009","1309.8","0.7","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C33 H31 N O -","- C33 H31 N O -","- C66 H62 N2 O2 -","2","1","","Chen, Ling; Cao, Jian; Xu, Zheng; Zheng, Zhan-Jiang; Cui, Yu-Ming; Xu, Li-Wen","Lewis acid catalyzed [2+2] cycloaddition of ynamides and propargyl silyl ethers: synthesis of alkylidenecyclobutenones and their reactivity in ring-opening and ring expansion.","Chemical communications (Cambridge, England)","2016","52","61","9574","9577","10.1039/c6cc04648g","","","0.71073","MoKα","","0.0996","0.0769","","","0.2243","0.243","","","","","","1.074","","","","has coordinates","234229","2020-10-21","18:00:00",""
"7124788","8.5465","0.0017","11.111","0.002","12.403","0.003","109.873","0.002","101.743","0.002","90.448","0.002","1080.7","0.4","296","2","296","2","","","","","","","","3","P -1","-P 1","2","","","","- C29 H22 O2 -","- C29 H22 O2 -","- C58 H44 O4 -","2","1","","Chen, Ling; Cao, Jian; Xu, Zheng; Zheng, Zhan-Jiang; Cui, Yu-Ming; Xu, Li-Wen","Lewis acid catalyzed [2+2] cycloaddition of ynamides and propargyl silyl ethers: synthesis of alkylidenecyclobutenones and their reactivity in ring-opening and ring expansion.","Chemical communications (Cambridge, England)","2016","52","61","9574","9577","10.1039/c6cc04648g","","","0.71073","MoKα","","0.0567","0.0408","","","0.101","0.1111","","","","","","1.031","","","","has coordinates","234229","2020-10-21","18:00:00",""
"7124789","8.12275","0.00008","19.6409","0.0002","11.31395","0.00011","90","","92.5884","0.001","90","","1803.16","0.03","120.01","0.1","120.01","0.1","","","","","","","","4","C 1 c 1","C -2yc","9","","Ethyl (1R*,2S*,5S*,6R*,7S*)-3-[(2,4-dimethoxyphenyl)methyl]-4-oxo-2-(prop-2-en-1-yl)-10-oxa-3-azatricyclo[5.2.1.0^1^,5]dec-8-ene-6-carboxylate","","- C21 H23 N O4 -","- C21 H23 N O4 -","- C84 H92 N4 O16 -","4","1","","Firth, James D.; Craven, Philip G. E.; Lilburn, Matthew; Pahl, Axel; Marsden, Stephen P.; Nelson, Adam","A biosynthesis-inspired approach to over twenty diverse natural product-like scaffolds.","Chemical communications (Cambridge, England)","2016","52","63","9837","9840","10.1039/c6cc04662b","","x-ray","1.54184","CuKα","","0.03","0.03","","","0.0799","0.0799","","","","","","1.04","","","","has coordinates","234232","2020-10-21","18:00:00",""
"7124790","11.06181","0.00017","9.47232","0.00016","18.5215","0.0002","90","","97.9172","0.0013","90","","1922.2","0.05","120","0.1","120","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Ethyl (2R*,3S*,5aS*,9aS*,9bR*)-5-benzyl-2-ethenyl-4-oxo-2H,3H,4H,5H,5aH,6H,7H,9bH-furo[3,2-d]indole-3-carboxylate","","- C22 H25 N O4 -","- C22 H25 N O4 -","- C88 H100 N4 O16 -","4","1","","Firth, James D.; Craven, Philip G. E.; Lilburn, Matthew; Pahl, Axel; Marsden, Stephen P.; Nelson, Adam","A biosynthesis-inspired approach to over twenty diverse natural product-like scaffolds.","Chemical communications (Cambridge, England)","2016","52","63","9837","9840","10.1039/c6cc04662b","","x-ray","1.54184","CuKα","","0.0479","0.0433","","","0.113","0.1192","","","","","","1.042","","","","has coordinates","234232","2020-10-21","18:00:00",""
"7124791","11.7112","0.0003","15.2229","0.0004","22.2156","0.0006","78.173","0.002","76.486","0.002","89.949","0.002","3764.55","0.18","119.99","0.18","119.99","0.18","","","","","","","","5","P -1","-P 1","2","","Methyl (1R*,2R*,5S*,8S*,9R*,10S*)-7-oxo-5-{[4-(trifluoromethyl)phenyl]methyl}-13-oxa-6-azatetracyclo[8.2.1.0^1^,8.0^2^,6]tridecane-9-carboxylate","","- C21 H22 F3 N O4 -","- C21 H22 F3 N O4 -","- C168 H176 F24 N8 O32 -","8","4","","Firth, James D.; Craven, Philip G. E.; Lilburn, Matthew; Pahl, Axel; Marsden, Stephen P.; Nelson, Adam","A biosynthesis-inspired approach to over twenty diverse natural product-like scaffolds.","Chemical communications (Cambridge, England)","2016","52","63","9837","9840","10.1039/c6cc04662b","","x-ray","1.54184","CuKα","","0.0714","0.0603","","","0.1649","0.1703","","","","","","1.03","","","","has coordinates","234232","2020-10-21","18:00:00",""
"7124792","22.8332","0.0004","9.84289","0.00014","16.7747","0.0003","90","","90","","90","","3770.02","0.11","120","0.12","120","0.12","","","","","","","","4","P b c n","-P 2n 2ab","60","","Ethyl (1R*,2R*,5S*,6R*,7S*)-3-[(2,4-dimethoxyphenyl)methyl]-4-oxo-2-(prop-2-en-1-yl)-10-oxa-3-azatricyclo[5.2.1.0^1^,5]dec-8-ene-6-carboxylate","","- C21 H23 N O4 -","- C21 H23 N O4 -","- C168 H184 N8 O32 -","8","1","","Firth, James D.; Craven, Philip G. E.; Lilburn, Matthew; Pahl, Axel; Marsden, Stephen P.; Nelson, Adam","A biosynthesis-inspired approach to over twenty diverse natural product-like scaffolds.","Chemical communications (Cambridge, England)","2016","52","63","9837","9840","10.1039/c6cc04662b","","x-ray","1.54184","CuKα","","0.0484","0.0419","","","0.1085","0.114","","","","","","1.025","","","","has coordinates,has disorder","234232","2020-10-21","18:00:00",""
"7124793","20.1612","0.0002","9.24516","0.00011","10.76938","0.00015","90","","96.7643","0.0012","90","","1993.37","0.04","120","0.1","120","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Ethyl (1R*,2R*,10S*,11R*,12S*)-5-benzyl-9-oxo-15-oxa-5,8-diazatetracyclo[10.2.1.0^1^,^1^°.0^2^,8]pentadecane-11-carboxylate","","- C22 H28 N2 O4 -","- C22 H28 N2 O4 -","- C88 H112 N8 O16 -","4","1","","Firth, James D.; Craven, Philip G. E.; Lilburn, Matthew; Pahl, Axel; Marsden, Stephen P.; Nelson, Adam","A biosynthesis-inspired approach to over twenty diverse natural product-like scaffolds.","Chemical communications (Cambridge, England)","2016","52","63","9837","9840","10.1039/c6cc04662b","","x-ray","1.54184","CuKα","","0.0513","0.0473","","","0.1229","0.128","","","","","","1.048","","","","has coordinates","234232","2020-10-21","18:00:00",""
"7124794","9.8686","0.0009","23.9445","0.0018","33.107","0.002","90","","90.065","0.008","90","","7823.1","1","119.98","0.14","119.98","0.14","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Ethyl (1R*,2R*,5S*,6R*,7S*)-3-benzyl-2-(but-3-en-1-yl)-4-oxo-10-oxa-3-azatricyclo[5.2.1.0^1^,5]dec-8-ene-6-carboxylate","","- C22 H25 N O4 -","- C22 H25 N O4 -","- C352 H400 N16 O64 -","16","4","","Firth, James D.; Craven, Philip G. E.; Lilburn, Matthew; Pahl, Axel; Marsden, Stephen P.; Nelson, Adam","A biosynthesis-inspired approach to over twenty diverse natural product-like scaffolds.","Chemical communications (Cambridge, England)","2016","52","63","9837","9840","10.1039/c6cc04662b","","x-ray","1.54184","CuKα","","0.0998","0.073","","","0.1594","0.1761","","","","","","1.039","","","","has coordinates","234232","2020-10-21","18:00:00",""
"7124795","9.67334","0.00014","11.20885","0.00018","18.6086","0.0002","90","","94.3265","0.0014","90","","2011.93","0.05","120","0.1","120","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","","Ethyl (1R*,2S*,10S*,11R*,12S*)-5-benzyl-9-oxo-15-oxa-5,8-diazatetracyclo[10.2.1.0^1^,^1^°.0^2^,8]pentadecane-11-carboxylate","","- C22 H28 N2 O4 -","- C22 H28 N2 O4 -","- C88 H112 N8 O16 -","4","2","","Firth, James D.; Craven, Philip G. E.; Lilburn, Matthew; Pahl, Axel; Marsden, Stephen P.; Nelson, Adam","A biosynthesis-inspired approach to over twenty diverse natural product-like scaffolds.","Chemical communications (Cambridge, England)","2016","52","63","9837","9840","10.1039/c6cc04662b","","x-ray","0.71073","MoKα","","0.0466","0.0439","","","0.1117","0.1152","","","","","","1.022","","","","has coordinates","234232","2020-10-21","18:00:00",""
"7124796","9.7786","0.0005","9.9521","0.0004","21.9977","0.001","90","","90","","90","","2140.76","0.17","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C14 H23 O6 P Si2 W -","- C14 H23 O6 P Si2 W -","- C56 H92 O24 P4 Si8 W4 -","4","1","","Kyri, A. W.; Schnakenburg, G.; Streubel, R.","A novel route to C-unsubstituted 1,2-oxaphosphetane and 1,2-oxaphospholane complexes.","Chemical communications (Cambridge, England)","2016","52","55","8593","8595","10.1039/c6cc04667c","","","0.71073","MoKα","","0.0244","0.0221","","","0.0369","0.0376","","","","","","0.886","","","","has coordinates","234236","2020-10-21","18:00:00",""
"7124797","9.179","0.003","10.433","0.004","14.066","0.005","86.293","0.01","81.81","0.01","65.584","0.009","1214","0.8","100","","100","","","","","","","","","7","P -1","-P 1","2","","AKY-424","","- C14 H24 I O6 P Si2 W -","- C14 H24 I O6 P Si2 W -","- C28 H48 I2 O12 P2 Si4 W2 -","2","1","","Kyri, A. W.; Schnakenburg, G.; Streubel, R.","A novel route to C-unsubstituted 1,2-oxaphosphetane and 1,2-oxaphospholane complexes.","Chemical communications (Cambridge, England)","2016","52","55","8593","8595","10.1039/c6cc04667c","","","0.71073","MoKα","","0.1918","0.1405","","","0.3049","0.3359","","","","","","1.231","","","","has coordinates","234236","2020-10-21","18:00:00",""
"7124798","9.2343","0.0004","10.3502","0.0004","23.1652","0.0011","90","","90","","90","","2214.06","0.17","123","","123","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","AKY-554","","- C15 H25 O6 P Si2 W -","- C15 H25 O6 P Si2 W -","- C60 H100 O24 P4 Si8 W4 -","4","1","","Kyri, A. W.; Schnakenburg, G.; Streubel, R.","A novel route to C-unsubstituted 1,2-oxaphosphetane and 1,2-oxaphospholane complexes.","Chemical communications (Cambridge, England)","2016","52","55","8593","8595","10.1039/c6cc04667c","","x-ray","0.71073","MoKα","","0.0535","0.0367","","","0.0549","0.0584","","","","","","0.999","","","","has coordinates","234236","2020-10-21","18:00:00",""
"7124799","11.9958","0.0006","12.5852","0.0007","17.0913","0.0009","104.697","0.001","102.692","0.001","91.2459","0.001","2426.6","0.2","100","2","100","2","","","","","","","n/a","7","P -1","-P 1","2","n/a","C45H63N6Br2S1Fe3","","- C49 H71 Br2 Fe3 N6 O S -","- C49 H71 Br2 Fe3 N6 O S -","- C98 H142 Br4 Fe6 N12 O2 S2 -","2","1","","Lee, Yousoon; Abboud, Khalil A.; García-Serres, Ricardo; Murray, Leslie J.","A three-coordinate Fe(ii) center within a [3Fe-(μ3-S)] cluster that provides an accessible coordination site.","Chemical communications (Cambridge, England)","2016","52","59","9295","9298","10.1039/c6cc04671a","","","0.71073","MoKα","","0.066","0.0368","","","0.084","0.0918","","","","","","0.958","","","","has coordinates,has disorder","234239","2020-10-21","18:00:00",""
"7124800","11.651","0.0003","12.6465","0.0004","17.0493","0.0005","94.401","0.001","95.909","0.001","96.266","0.001","2473.99","0.12","100","2","100","2","","","","","","","n/a","7","P -1","-P 1","2","n/a","C47H67N6O0.5Br1S1Fe3","","- C50.88 H74.76 Br1.03 Fe3 N6 O1.47 S -","- C50.88 H74.76 Br1.03 Fe3 N6 O1.47 S -","- C101.76 H149.52 Br2.06 Fe6 N12 O2.94 S2 -","2","1","","Lee, Yousoon; Abboud, Khalil A.; García-Serres, Ricardo; Murray, Leslie J.","A three-coordinate Fe(ii) center within a [3Fe-(μ3-S)] cluster that provides an accessible coordination site.","Chemical communications (Cambridge, England)","2016","52","59","9295","9298","10.1039/c6cc04671a","","","0.71073","MoKα","","0.0376","0.0294","","","0.0796","0.0843","","","","","","1.077","","","","has coordinates,has disorder","234239","2020-10-21","18:00:00",""
"7124801","12.339","0.0003","12.339","0.0007","18.0683","0.0007","90","","90","","90","","2750.9","0.2","173.15","","173.15","","","","","","","","","5","P 43","P 4cw","78","","","","- C31 H29 Br2 N O4 -","- C31 H29 Br2 N O4 -","- C124 H116 Br8 N4 O16 -","4","1","","Li, Meng; Lu, Hai-Yan; Zhang, Chao; Shi, Lin; Tang, Zhiyong; Chen, Chuan-Feng","Helical aromatic imide based enantiomers with full-color circularly polarized luminescence.","Chemical communications (Cambridge, England)","2016","52","64","9921","9924","10.1039/c6cc04674f","","","0.71073","MoKα","","0.0585","0.0534","","","0.127","0.1321","","","","","","1.056","","","","has coordinates","234242","2020-10-21","18:00:00",""
"7124802","12.347","0.003","12.347","0.003","18.073","0.004","90","","90","","90","","2755.2","1.1","173.15","","173.15","","","","","","","","","5","P 41","P 4w","76","","","","- C31 H29 Br2 N O4 -","- C31 H29 Br2 N O4 -","- C124 H116 Br8 N4 O16 -","4","1","","Li, Meng; Lu, Hai-Yan; Zhang, Chao; Shi, Lin; Tang, Zhiyong; Chen, Chuan-Feng","Helical aromatic imide based enantiomers with full-color circularly polarized luminescence.","Chemical communications (Cambridge, England)","2016","52","64","9921","9924","10.1039/c6cc04674f","","","0.71073","MoKα","","0.0707","0.0645","","","0.1466","0.151","","","","","","1.1","","","","has coordinates","234242","2020-10-21","18:00:00",""
"7124803","5.6327","0.0006","14.2928","0.0015","21.544","0.003","90","","90","","90","","1734.4","0.4","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C23 H19 N O S -","- C23 H19 N O S -","- C92 H76 N4 O4 S4 -","4","1","","León, Thierry; Fernández, Elena","The Pauson-Khand reaction using alkynylboronic esters: solving a long-standing regioselectivity issue.","Chemical communications (Cambridge, England)","2016","52","60","9363","9366","10.1039/c6cc04717c","","","0.71073","MoKα","","0.0677","0.0478","","","0.0995","0.1104","","","","","","1.052","","","","has coordinates,has disorder","234243","2020-10-21","18:00:00",""
"7124804","9.7865","0.0005","12.5627","0.0006","16.1123","0.0007","90.4912","0.0014","102.202","0.0014","93.6195","0.0014","1931.82","0.16","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C22 H25 B O3 -","- C22 H25 B O3 -","- C88 H100 B4 O12 -","4","2","","León, Thierry; Fernández, Elena","The Pauson-Khand reaction using alkynylboronic esters: solving a long-standing regioselectivity issue.","Chemical communications (Cambridge, England)","2016","52","60","9363","9366","10.1039/c6cc04717c","","","0.71073","MoKα","","0.063","0.0484","","","0.1235","0.1335","","","","","","1.02","","","","has coordinates,has disorder","234243","2020-10-21","18:00:00",""
"7124805","19.3909","0.001","10.1233","0.0004","20.4987","0.0007","90","","95.235","0.004","90","","4007.1","0.3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H21 B N2 O -","- C26 H21 B N2 O -","- C208 H168 B8 N16 O8 -","8","2","","León, Thierry; Fernández, Elena","The Pauson-Khand reaction using alkynylboronic esters: solving a long-standing regioselectivity issue.","Chemical communications (Cambridge, England)","2016","52","60","9363","9366","10.1039/c6cc04717c","","","0.7107","MoKα","","0.1118","0.0729","","","0.1782","0.1958","","","","","","1.077","","","","has coordinates","234243","2020-10-21","18:00:00",""
"7124806","15.4625","0.0007","15.4625","0.0007","12.337","0.0006","90","","90","","90","","2949.6","0.2","100","2","100","2","","","","","","","","4","I 41 2 2","I 4bw 2bw","98","","InOF-1","","- C8 H4 In O5 -","- C8 H4 In O5 -","- C64 H32 In8 O40 -","8","0.5","","Peralta, Ricardo A.; Campos-Reales-Pineda, Alberto; Pfeiffer, Heriberto; Álvarez, J Raziel; Zárate, J Antonio; Balmaseda, Jorge; González-Zamora, Eduardo; Martínez, Ana; Martínez-Otero, Diego; Jancik, Vojtech; Ibarra, Ilich A.","CO2 capture enhancement in InOF-1 via the bottleneck effect of confined ethanol.","Chemical communications (Cambridge, England)","2016","52","67","10273","10276","10.1039/c6cc04734c","","","0.71073","MoKα","","0.023","0.0211","","","0.0445","0.0451","","","","","","0.994","","","","has coordinates,has disorder","234245","2020-10-21","18:00:00",""
"7124807","15.483","0.002","15.483","0.002","12.308","0.003","90","","90","","90","","2950.5","0.9","100","2","100","2","","","","","","","","4","I 41 2 2","I 4bw 2bw","98","","InOF-1.Ethanol","","- C10 H10 In O6 -","- C10 H10 In O6 -","- C80 H80 In8 O48 -","8","0.5","","Peralta, Ricardo A.; Campos-Reales-Pineda, Alberto; Pfeiffer, Heriberto; Álvarez, J Raziel; Zárate, J Antonio; Balmaseda, Jorge; González-Zamora, Eduardo; Martínez, Ana; Martínez-Otero, Diego; Jancik, Vojtech; Ibarra, Ilich A.","CO2 capture enhancement in InOF-1 via the bottleneck effect of confined ethanol.","Chemical communications (Cambridge, England)","2016","52","67","10273","10276","10.1039/c6cc04734c","","","0.71073","MoKα","","0.0226","0.0222","","","0.0612","0.0615","","","","","","1.175","","","","has coordinates,has disorder","234245","2020-10-21","18:00:00",""
"7124808","9.8334","0.0014","21.319","0.003","12.7266","0.0018","90","","95.59","0.007","90","","2655.3","0.7","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C60 H62 Au Cl P S3 -","- C60 H62 Au Cl P S3 -","- C120 H124 Au2 Cl2 P2 S6 -","2","1","","Aillard, Paul; Dova, Davide; Magné, Valentin; Retailleau, Pascal; Cauteruccio, Silvia; Licandro, Emanuela; Voituriez, Arnaud; Marinetti, Angela","The synthesis of substituted phosphathiahelicenes via regioselective bromination of a preformed helical scaffold: a new approach to modular ligands for enantioselective gold-catalysis.","Chemical communications (Cambridge, England)","2016","52","73","10984","10987","10.1039/c6cc04765c","","","1.54187","CuKα","","0.2175","0.0837","","","0.1848","0.2576","","","","","","0.958","","","","has coordinates","234247","2020-10-21","18:00:00",""
"7124809","18.899","0.006","18.899","0.006","31.69","0.013","90","","90","","120","","9802","6","120","2","120","2","","","","","","","","7","R -3 m :H","-R 3 2""","166","","NbO-Pd-1","","- C12 H6 Cl2 Cu2 N2 O10 Pd -","- C12 H6 Cl2 Cu2 N2 O10 Pd -","- C108 H54 Cl18 Cu18 N18 O90 Pd9 -","9","0.25","","Spanopoulos, I.; Bratsos, I.; Tampaxis, C.; Vourloumis, D.; Klontzas, E.; Froudakis, G. E.; Charalambopoulou, G.; Steriotis, T. A.; Trikalitis, P. N.","Exceptional gravimetric and volumetric CO2 uptake in a palladated NbO-type MOF utilizing cooperative acidic and basic, metal-CO2 interactions.","Chemical communications (Cambridge, England)","2016","52","69","10559","10562","10.1039/c6cc04790d","","","0.6889","","","0.0899","0.0877","","","0.2933","0.2946","","","","","","2.415","","","","has coordinates","234249","2020-10-21","18:00:00",""
"7124810","13.2446","0.0002","10.2823","0.0002","17.0713","0.0003","90","","97.7952","0.0007","90","","2303.37","0.07","180","2","180","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C16 H34 Mg N2 O2 P2 S2 -","- C16 H34 Mg N2 O2 P2 S2 -","- C64 H136 Mg4 N8 O8 P8 S8 -","4","1","","Benson, Callum G. M.; Plajer, Alex J.; García-Rodríguez, Raúl; Bond, Andrew D.; Singh, Sanjay; Gade, Lutz H.; Wright, Dominic S.","A versatile hard-soft N/S-ligand for metal coordination and cluster formation.","Chemical communications (Cambridge, England)","2016","52","62","9683","9686","10.1039/c6cc04805f","","","0.71073","MoKα","","0.0436","0.0332","","","0.0733","0.0786","","","","","","1.027","","","","has coordinates","234252","2020-10-21","18:00:00",""
"7124811","8.5948","0.0004","9.7615","0.0004","14.7996","0.0006","85.955","0.002","87.786","0.002","73.175","0.002","1185.33","0.09","180","2","180","2","","","","","","","","6","P -1","-P 1","2","","","","- C20 H28 N2 P2 S2 Sn -","- C20 H28 N2 P2 S2 Sn -","- C40 H56 N4 P4 S4 Sn2 -","2","1","","Benson, Callum G. M.; Plajer, Alex J.; García-Rodríguez, Raúl; Bond, Andrew D.; Singh, Sanjay; Gade, Lutz H.; Wright, Dominic S.","A versatile hard-soft N/S-ligand for metal coordination and cluster formation.","Chemical communications (Cambridge, England)","2016","52","62","9683","9686","10.1039/c6cc04805f","","","1.54178","CuKα","","0.0214","0.02","","","0.048","0.0486","","","","","","1.053","","","","has coordinates","234252","2020-10-21","18:00:00",""
"7124812","23.7918","0.0002","23.7918","0.0002","37.5449","0.0006","90","","90","","90","","21252.3","0.4","180","2","180","2","","","","","","","","7","P 4 c c","P 4 -2c","103","","","","- C96 H209 N16 Na17 O8 P16 S17 -","- C96 H209 N16 Na17 O8 P16 S17 -","- C384 H836 N64 Na68 O32 P64 S68 -","4","0.5","","Benson, Callum G. M.; Plajer, Alex J.; García-Rodríguez, Raúl; Bond, Andrew D.; Singh, Sanjay; Gade, Lutz H.; Wright, Dominic S.","A versatile hard-soft N/S-ligand for metal coordination and cluster formation.","Chemical communications (Cambridge, England)","2016","52","62","9683","9686","10.1039/c6cc04805f","","","0.71073","MoKα","","0.1068","0.0725","","","0.1916","0.2156","","","","","","1.027","","","","has coordinates","234252","2020-10-21","18:00:00",""
"7124813","5.8141","0.0014","23.591","0.005","6.8413","0.0016","90","","114.257","0.003","90","","855.5","0.3","293","","293","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2-Phenylpyridine N-Oxide","","- C11 H9 N O -","- C11 H9 N O -","- C44 H36 N4 O4 -","4","1","","Stephens, David E.; Lakey-Beitia, Johant; Burch, Jessica E.; Arman, Hadi D.; Larionov, Oleg V.","Mechanistic insights into the potassium tert-butoxide-mediated synthesis of N-heterobiaryls.","Chemical communications (Cambridge, England)","2016","52","64","9945","9948","10.1039/c6cc04816a","","","0.71075","MoKα","","0.0531","0.0493","","","0.1102","0.1128","","","","","","1.025","","","","has coordinates","234256","2020-10-21","18:00:00",""
"7124814","15.84","0.004","13.517","0.004","7.047","0.002","90","","101.395","0.005","90","","1479.1","0.7","293","","293","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","3-Methylquinoline N-Oxide meta-Chlorobenzoic Acid (1:1) Complex","","- C17 H14 Cl N O3 -","- C17 H14 Cl N O3 -","- C68 H56 Cl4 N4 O12 -","4","1","","Stephens, David E.; Lakey-Beitia, Johant; Burch, Jessica E.; Arman, Hadi D.; Larionov, Oleg V.","Mechanistic insights into the potassium tert-butoxide-mediated synthesis of N-heterobiaryls.","Chemical communications (Cambridge, England)","2016","52","64","9945","9948","10.1039/c6cc04816a","","","0.71075","MoKα","","0.0494","0.0462","","","0.1245","0.128","","","","","","1.076","","","","has coordinates","234256","2020-10-21","18:00:00",""
"7124815","12.648","0.015","5.914","0.007","13.125","0.017","90","","94.02","0.02","90","","979","2","293","","293","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","6,6'-Diisopropyl-2,2'-biquinoline","","- C24 H24 N2 -","- C24 H24 N2 -","- C48 H48 N4 -","2","0.5","","Stephens, David E.; Lakey-Beitia, Johant; Burch, Jessica E.; Arman, Hadi D.; Larionov, Oleg V.","Mechanistic insights into the potassium tert-butoxide-mediated synthesis of N-heterobiaryls.","Chemical communications (Cambridge, England)","2016","52","64","9945","9948","10.1039/c6cc04816a","","","0.71075","MoKα","","0.1243","0.071","","","0.1248","0.1519","","","","","","1.022","","","","has coordinates","234256","2020-10-21","18:00:00",""
"7124816","4.8503","0.0012","17.114","0.004","6.4411","0.0015","90","","105.911","0.004","90","","514.2","0.2","98","","98","","","","","","","","","4","P 1 21 1","P 2yb","4","","6-Methoxuquinoline N-Oxide Dihydrate","","- C10 H13 N O4 -","- C10 H13 N O4 -","- C20 H26 N2 O8 -","2","1","","Stephens, David E.; Lakey-Beitia, Johant; Burch, Jessica E.; Arman, Hadi D.; Larionov, Oleg V.","Mechanistic insights into the potassium tert-butoxide-mediated synthesis of N-heterobiaryls.","Chemical communications (Cambridge, England)","2016","52","64","9945","9948","10.1039/c6cc04816a","","","0.71075","MoKα","","0.0354","0.035","","","0.0898","0.0902","","","","","","1.028","","","","has coordinates","234256","2020-10-21","18:00:00",""
"7124817","6.69","0.004","8.863","0.005","9.115","0.006","107.219","0.006","111.191","0.011","92.478","0.005","474.4","0.5","98","","98","","","","","","","","","4","P -1","-P 1","2","","4-Methylquinoline N-Oxide Dihydrate","","- C10 H13 N O3 -","- C10 H13 N O3 -","- C20 H26 N2 O6 -","2","1","","Stephens, David E.; Lakey-Beitia, Johant; Burch, Jessica E.; Arman, Hadi D.; Larionov, Oleg V.","Mechanistic insights into the potassium tert-butoxide-mediated synthesis of N-heterobiaryls.","Chemical communications (Cambridge, England)","2016","52","64","9945","9948","10.1039/c6cc04816a","","","0.71075","MoKα","","0.0551","0.0486","","","0.1138","0.1186","","","","","","0.991","","","","has coordinates","234256","2020-10-21","18:00:00",""
"7124818","20.26","0.012","5.434","0.003","16.088","0.009","90","","110.528","0.009","90","","1658.7","1.6","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","5,5'-Diphenyl-2,2'-bipyridine","","- C22 H16 N2 -","- C22 H16 N2 -","- C88 H64 N8 -","4","1","","Stephens, David E.; Lakey-Beitia, Johant; Burch, Jessica E.; Arman, Hadi D.; Larionov, Oleg V.","Mechanistic insights into the potassium tert-butoxide-mediated synthesis of N-heterobiaryls.","Chemical communications (Cambridge, England)","2016","52","64","9945","9948","10.1039/c6cc04816a","","","0.71075","MoKα","","0.085","0.0681","","","0.1391","0.1491","","","","","","1.023","","","","has coordinates,has disorder","234256","2020-10-21","18:00:00",""
"7124819","18.301","0.011","6.133","0.003","18.738","0.011","90","","94.032","0.006","90","","2098","2","293","","293","","","","","","","","","3","I 1 2/a 1","-I 2ya","15","","6,6'-Di-tert-butyl-2,2'-biquinoline","","- C26 H28 N2 -","- C26 H28 N2 -","- C104 H112 N8 -","4","0.5","","Stephens, David E.; Lakey-Beitia, Johant; Burch, Jessica E.; Arman, Hadi D.; Larionov, Oleg V.","Mechanistic insights into the potassium tert-butoxide-mediated synthesis of N-heterobiaryls.","Chemical communications (Cambridge, England)","2016","52","64","9945","9948","10.1039/c6cc04816a","","","0.71075","MoKα","","0.076","0.0634","","","0.1402","0.1458","","","","","","1.035","","","","has coordinates","234256","2020-10-21","18:00:00",""
"7124820","6.8201","0.0014","16.879","0.003","9.0566","0.0019","90","","106.25","0.003","90","","1000.9","0.3","293","","293","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","3-Methylisoquinoline N-Oxide Dihydrate","","- C10 H13 N O3 -","- C10 H13 N O3 -","- C40 H52 N4 O12 -","4","1","","Stephens, David E.; Lakey-Beitia, Johant; Burch, Jessica E.; Arman, Hadi D.; Larionov, Oleg V.","Mechanistic insights into the potassium tert-butoxide-mediated synthesis of N-heterobiaryls.","Chemical communications (Cambridge, England)","2016","52","64","9945","9948","10.1039/c6cc04816a","","","0.71075","MoKα","","0.0465","0.0441","","","0.1209","0.1237","","","","","","1.05","","","","has coordinates","234256","2020-10-21","18:00:00",""
"7124821","12.3724","0.0003","16.262","0.0004","18.3411","0.0005","68.034","0.001","76.109","0.001","68.507","0.001","3161.58","0.14","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C77 H66 B4 Cl6 -","- C77 H66 B4 Cl6 -","- C154 H132 B8 Cl12 -","2","1","","Zhang, Zuolun; Wang, Zheng; Haehnel, Martin; Eichhorn, Antonius; Edkins, Robert M.; Steffen, Andreas; Krueger, Anke; Lin, Zhenyang; Marder, Todd B.","Synthesis and fluxional behaviour of novel chloroborole dimers.","Chemical communications (Cambridge, England)","2016","52","62","9707","9710","10.1039/c6cc04831e","","","0.71073","MoKα","","0.0488","0.0408","","","0.1081","0.1159","","","","","","1.173","","","","has coordinates,has disorder","234258","2020-10-21","18:00:00",""
"7124822","10.7763","0.0007","11.4318","0.0008","15.5909","0.0011","74.252","0.002","81.811","0.002","69.779","0.002","1732.1","0.2","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C38 H28 B2 Br4 Cl2 -","- C38 H28 B2 Br4 Cl2 -","- C76 H56 B4 Br8 Cl4 -","2","1","","Zhang, Zuolun; Wang, Zheng; Haehnel, Martin; Eichhorn, Antonius; Edkins, Robert M.; Steffen, Andreas; Krueger, Anke; Lin, Zhenyang; Marder, Todd B.","Synthesis and fluxional behaviour of novel chloroborole dimers.","Chemical communications (Cambridge, England)","2016","52","62","9707","9710","10.1039/c6cc04831e","","","0.71073","MoKα","","0.0417","0.0292","","","0.0626","0.0662","","","","","","1.01","","","","has coordinates","234258","2020-10-21","18:00:00",""
"7124823","9.4885","0.0003","10.1789","0.0003","11.6397","0.0004","85.237","0.002","74.922","0.001","77.744","0.001","1060.29","0.06","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H36 Cu N6 O8 -","- C14 H36 Cu N6 O8 -","- C28 H72 Cu2 N12 O16 -","2","1","","Yu, Fengshou; Li, Fei; Hu, Jixiang; Bai, Lichen; Zhu, Yong; Sun, Licheng","Electrocatalytic water oxidation by a macrocyclic Cu(ii) complex in neutral phosphate buffer.","Chemical communications (Cambridge, England)","2016","52","68","10377","10380","10.1039/c6cc04884f","","","0.71073","MoKα","","0.04","0.0384","","","0.1001","0.1013","","","","","","1.014","","","","has coordinates","234259","2020-10-21","18:00:00",""
"7124824","12.7034","0.0007","15.8896","0.001","29.1048","0.0019","90","","94.795","0.002","90","","5854.3","0.6","100","2","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C41 H36 F16 N2 -","- C41 H36 F16 N2 -","- C164 H144 F64 N8 -","4","1","","Kim, Youngsuk; Lee, Eunsung","Activation of C-F bonds in fluoroarenes by N-heterocyclic carbenes as an effective route to synthesize abnormal NHC complexes.","Chemical communications (Cambridge, England)","2016","52","72","10922","10925","10.1039/c6cc04896j","","","0.71073","MoKα","","0.1075","0.089","","","0.2799","0.2909","","","","","","1.058","","","","has coordinates","234261","2020-10-21","18:00:00",""
"7124825","15.0816","0.0011","14.3924","0.0011","20.4104","0.0017","90","","96.525","0.003","90","","4401.6","0.6","100","","100","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C45 H42 Au Cl F14 N2 O -","- C45 H42 Au Cl F14 N2 O -","- C180 H168 Au4 Cl4 F56 N8 O4 -","4","1","","Kim, Youngsuk; Lee, Eunsung","Activation of C-F bonds in fluoroarenes by N-heterocyclic carbenes as an effective route to synthesize abnormal NHC complexes.","Chemical communications (Cambridge, England)","2016","52","72","10922","10925","10.1039/c6cc04896j","","","0.71073","MoKα","","0.0912","0.0527","","","0.076","0.085","","","","","","1.096","","","","has coordinates,has disorder","234261","2020-10-21","18:00:00",""
"7124826","18.227","0.007","17.04","0.006","20.143","0.008","90","","101.779","0.013","90","","6124","4","100","","100","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C34 H41 F5 N2 -","- C34 H41 F5 N2 -","- C272 H328 F40 N16 -","8","1","","Kim, Youngsuk; Lee, Eunsung","Activation of C-F bonds in fluoroarenes by N-heterocyclic carbenes as an effective route to synthesize abnormal NHC complexes.","Chemical communications (Cambridge, England)","2016","52","72","10922","10925","10.1039/c6cc04896j","","","0.71073","MoKα","","0.1191","0.0734","","","0.1592","0.1826","","","","","","1.02","","","","has coordinates","234261","2020-10-21","18:00:00",""
"7124827","11.856","0.002","7.3071","0.0012","20.186","0.004","90","","96.412","0.005","90","","1737.8","0.5","103","2","103","2","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","","","","- C29 H16 -","- C29 H16 -","- C116 H64 -","4","1","","Rajeshkumar, Venkatachalam; Stuparu, Mihaiela C.","A photochemical approach to aromatic extension of the corannulene nucleus.","Chemical communications (Cambridge, England)","2016","52","64","9957","9960","10.1039/c6cc04910a","","","0.71073","MoKα","","0.0996","0.0526","","","0.1086","0.1308","","","","","","1.018","","","","has coordinates","234263","2020-10-21","18:00:00",""
"7124828","9.2775","0.0006","26.8593","0.0015","7.3125","0.0004","90","","90","","90","","1822.18","0.18","103","2","103","2","","","","","","","","3","P c a 21","P 2c -2ac","29","","acenaphtho[3',2',1',8':9,10,11,12]chryseno[2,1-b]benzo[d]thiophene","","- C30 H14 S -","- C30 H14 S -","- C120 H56 S4 -","4","1","","Rajeshkumar, Venkatachalam; Stuparu, Mihaiela C.","A photochemical approach to aromatic extension of the corannulene nucleus.","Chemical communications (Cambridge, England)","2016","52","64","9957","9960","10.1039/c6cc04910a","","","0.71073","MoKα","","0.0952","0.0562","","","0.1024","0.1161","","","","","","1.024","","","","has coordinates","234263","2020-10-21","18:00:00",""
"7124829","14.111","0.005","7.318","0.003","18.169","0.007","90","","100.411","0.01","90","","1845.3","1.2","103","2","103","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","acenaphtho[3,2,1,8-stuva]picen-8-yl(methyl)sulfane","","- C29 H16 S -","- C29 H16 S -","- C116 H64 S4 -","4","1","","Rajeshkumar, Venkatachalam; Stuparu, Mihaiela C.","A photochemical approach to aromatic extension of the corannulene nucleus.","Chemical communications (Cambridge, England)","2016","52","64","9957","9960","10.1039/c6cc04910a","","","0.71073","MoKα","","0.2103","0.0748","","","0.1359","0.1865","","","","","","0.984","","","","has coordinates","234263","2020-10-21","18:00:00",""
"7124830","14.3543","0.001","7.4826","0.0004","17.7472","0.0012","90","","97.963","0.004","90","","1887.8","0.2","296","2","296","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","N,N-dimethylacenaphtho[3,2,1,8-stuva]picen-8-amine","","- C30 H19 N -","- C30 H19 N -","- C120 H76 N4 -","4","1","","Rajeshkumar, Venkatachalam; Stuparu, Mihaiela C.","A photochemical approach to aromatic extension of the corannulene nucleus.","Chemical communications (Cambridge, England)","2016","52","64","9957","9960","10.1039/c6cc04910a","","","0.71073","MoKα","","0.1167","0.0553","","","0.1446","0.2127","","","","","","1.052","","","","has coordinates,has disorder","234263","2020-10-21","18:00:00",""
"7124831","24.583","0.0004","24.583","0.0004","10.8704","0.0003","90","","90","","90","","6569.2","0.2","293","2","293","2","","","","","","","","5","I 41/a :2","-I 4ad","88","","","","- C13 H12 Cd N2 O2 -","- C13 H12 Cd N2 O2 -","- C208 H192 Cd16 N32 O32 -","16","1","","Xiao, Qiong; Wu, Yuan; Li, Mian; O'Keeffe, Michael; Li, Dan","A metal-organic framework with rod secondary building unit based on the Boerdijk-Coxeter helix.","Chemical communications (Cambridge, England)","2016","52","77","11543","11546","10.1039/c6cc04912e","","","1.54184","CuKα","","0.0647","0.0428","","","0.1297","0.148","","","","","","1.134","","","","has coordinates","234265","2020-10-21","18:00:00",""
"7124832","24.0666","0.0007","24.0666","0.0007","10.5856","0.0011","90","","90","","90","","6131.2","0.7","100","2","100","2","","","","","","","","5","I 41/a :2","-I 4ad","88","","","","- C13 H12 Cd N2 O2 -","- C13 H12 Cd N2 O2 -","- C208 H192 Cd16 N32 O32 -","16","1","","Xiao, Qiong; Wu, Yuan; Li, Mian; O'Keeffe, Michael; Li, Dan","A metal-organic framework with rod secondary building unit based on the Boerdijk-Coxeter helix.","Chemical communications (Cambridge, England)","2016","52","77","11543","11546","10.1039/c6cc04912e","","","1.54184","CuKα","","0.0852","0.0566","","","0.1276","0.1426","","","","","","1.074","","","","has coordinates","234265","2020-10-21","18:00:00",""
"7124833","24.6108","0.0003","24.6108","0.0003","10.76785","0.00017","90","","90","","90","","6521.99","0.15","100","2","100","2","","","","","","","","5","I 41/a :2","-I 4ad","88","","","","- C13 H12 Cd N2 O2 -","- C13 H12 Cd N2 O2 -","- C208 H192 Cd16 N32 O32 -","16","1","","Xiao, Qiong; Wu, Yuan; Li, Mian; O'Keeffe, Michael; Li, Dan","A metal-organic framework with rod secondary building unit based on the Boerdijk-Coxeter helix.","Chemical communications (Cambridge, England)","2016","52","77","11543","11546","10.1039/c6cc04912e","","","1.54184","CuKα","","0.0289","0.0235","","","0.056","0.0589","","","","","","1.033","","","","has coordinates","234265","2020-10-21","18:00:00",""
"7124834","24.029","0.0005","24.029","0.0005","10.5501","0.0003","90","","90","","90","","6091.6","0.2","100","2","100","2","","","","","","","","5","I 41/a :2","-I 4ad","88","","","","- C13 H12 Cd N2 O2 -","- C13 H12 Cd N2 O2 -","- C208 H192 Cd16 N32 O32 -","16","1","","Xiao, Qiong; Wu, Yuan; Li, Mian; O'Keeffe, Michael; Li, Dan","A metal-organic framework with rod secondary building unit based on the Boerdijk-Coxeter helix.","Chemical communications (Cambridge, England)","2016","52","77","11543","11546","10.1039/c6cc04912e","","","1.54184","CuKα","","0.0348","0.0281","","","0.0723","0.0763","","","","","","1.076","","","","has coordinates","234265","2020-10-21","18:00:00",""
"7124835","9.1873","0.0008","12.5692","0.0011","20.0824","0.0018","90","","90","","90","","2319.1","0.4","200","2","200","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C15 H9 Cd2 N13 O12 -","- C15 H9 Cd2 N13 O12 -","- C60 H36 Cd8 N52 O48 -","4","0.5","","Frost, Jamie M.; Kobera, Libor; Pialat, Amélie; Zhang, Yixin; Southern, Scott A.; Gabidullin, Bulat; Bryce, David L.; Murugesu, Muralee","From discrete molecule, to polymer, to MOF: mapping the coordination chemistry of Cd(II) using (113)Cd solid-state NMR.","Chemical communications (Cambridge, England)","2016","52","70","10680","10683","10.1039/c6cc04940k","","","0.71073","MoKα","","0.0361","0.0297","","","0.0692","0.0721","","","","","","1.111","","","","has coordinates","234267","2020-10-21","18:00:00",""
"7124836","30.1172","0.0007","30.1172","0.0007","30.1172","0.0007","90","","90","","90","","27317.7","1.1","200","2","200","2","","","","","","","","5","I m -3 m","-I 4 2 3","229","","","","- C10 H6 Cd N4 O4 -","- C10 H6 Cd N4 O4 -","- C480 H288 Cd48 N192 O192 -","48","0.5","","Frost, Jamie M.; Kobera, Libor; Pialat, Amélie; Zhang, Yixin; Southern, Scott A.; Gabidullin, Bulat; Bryce, David L.; Murugesu, Muralee","From discrete molecule, to polymer, to MOF: mapping the coordination chemistry of Cd(II) using (113)Cd solid-state NMR.","Chemical communications (Cambridge, England)","2016","52","70","10680","10683","10.1039/c6cc04940k","","","0.71073","MoKα","","0.0493","0.0342","","","0.077","0.0977","","","","","","1.191","","","","has coordinates","234267","2020-10-21","18:00:00",""
"7124837","15.3031","0.0006","15.9629","0.0006","20.6295","0.0008","90","","104.622","0.001","90","","4876.2","0.3","123","2","123","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","PF6PDIMoO","","","- C45 H51.47 F12 Mo N3 O3 P4 -","- C45 H51.47 F12 Mo N3 O3 P4 -","- C180 H205.88 F48 Mo4 N12 O12 P16 -","4","1","","Pal, Raja; Laureanti, Joseph A.; Groy, Thomas L.; Jones, Anne K.; Trovitch, Ryan J.","Hydrogen production from water using a bis(imino)pyridine molybdenum electrocatalyst.","Chemical communications (Cambridge, England)","2016","52","77","11555","11558","10.1039/c6cc04946j","","","0.71073","MoKα","","0.0519","0.0448","","","0.118","0.1233","","","","","","1.066","","","","has coordinates,has disorder","234270","2020-10-21","18:00:00",""
"7124838","11.1519","0.0011","16.9788","0.0014","18.245","0.0013","90","","105.844","0.005","90","","3323.4","0.5","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","PDIMoO","","","- C39 H41 Mo N3 O P2 -","- C39 H41 Mo N3 O P2 -","- C156 H164 Mo4 N12 O4 P8 -","4","1","","Pal, Raja; Laureanti, Joseph A.; Groy, Thomas L.; Jones, Anne K.; Trovitch, Ryan J.","Hydrogen production from water using a bis(imino)pyridine molybdenum electrocatalyst.","Chemical communications (Cambridge, England)","2016","52","77","11555","11558","10.1039/c6cc04946j","","","0.71073","Mokα","","0.1024","0.052","","","0.0934","0.111","","","","","","0.975","","","","has coordinates","234270","2020-10-21","18:00:00",""
"7124839","27.783","0.004","4.6822","0.0008","20.212","0.003","90","","118.891","0.008","90","","2302","0.6","100","2","100","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C15 H10 O5 -","- C15 H10 O5 -","- C120 H80 O40 -","8","1","","Li, Meiqi; Zhang, Qi; Wang, Jian-Rong; Mei, Xuefeng","Mechanochromism triggered fluorescent color switching among polymorphs of a natural fluorescence pigment.","Chemical communications (Cambridge, England)","2016","52","75","11288","11291","10.1039/c6cc04958c","","","0.71073","MoKα","","0.1084","0.0562","","","0.1404","0.1748","","","","","","1.062","","","","has coordinates","234273","2020-10-21","18:00:00",""
"7124840","16.4721","0.001","3.6915","0.0002","19.4294","0.0012","90","","96.188","0.004","90","","1174.56","0.12","100","2","100","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C15 H10 O5 -","- C15 H10 O5 -","- C60 H40 O20 -","4","1","","Li, Meiqi; Zhang, Qi; Wang, Jian-Rong; Mei, Xuefeng","Mechanochromism triggered fluorescent color switching among polymorphs of a natural fluorescence pigment.","Chemical communications (Cambridge, England)","2016","52","75","11288","11291","10.1039/c6cc04958c","","","0.71073","MoKα","","0.1845","0.0907","","","0.2232","0.306","","","","","","1.014","","","","has coordinates","234273","2020-10-21","18:00:00",""
"7124841","12.6343","0.0006","3.6437","0.0002","31.2026","0.0014","90","","95.706","0.003","90","","1429.31","0.12","100","","100","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C15 H10 O5 -","- C15 H10 O5 -","- C60 H40 O20 -","4","1","","Li, Meiqi; Zhang, Qi; Wang, Jian-Rong; Mei, Xuefeng","Mechanochromism triggered fluorescent color switching among polymorphs of a natural fluorescence pigment.","Chemical communications (Cambridge, England)","2016","52","75","11288","11291","10.1039/c6cc04958c","","","0.71073","MoKα","","0.1033","0.0609","","","0.1686","0.1967","","","","","","1.05","","","","has coordinates,has disorder","234273","2020-10-21","18:00:00",""
"7124842","16.6384","0.0006","3.6887","0.0002","19.406","0.0007","90","","95.544","0.003","90","","1185.45","0.09","100","","100","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C15 H10 O5 -","- C15 H10 O5 -","- C60 H40 O20 -","4","1","","Li, Meiqi; Zhang, Qi; Wang, Jian-Rong; Mei, Xuefeng","Mechanochromism triggered fluorescent color switching among polymorphs of a natural fluorescence pigment.","Chemical communications (Cambridge, England)","2016","52","75","11288","11291","10.1039/c6cc04958c","","","0.71073","MoKα","","0.1011","0.0682","","","0.1839","0.2158","","","","","","1.032","","","","has coordinates,has disorder","234273","2020-10-21","18:00:00",""
"7124843","12.175","0.004","12.483","0.005","18.276","0.005","75.34","0.03","78.55","0.02","71.31","0.02","2524.5","1.5","293","2","293","2","","","","","","","","6","P -1","-P 1","2","1,3,5-tris(3-(2,3,4,5-tetrafluorobenzyl)-imidazolium-1-methyl)-2,4,6-trimethylbenzene chloride bis(hexafluorophosphate) acetonitrilesolvate","","","- C44 H36 Cl F24 N7 P2 -","- C44 H36 Cl F24 N7 P2 -","- C88 H72 Cl2 F48 N14 P4 -","2","1","","Amendola, Valeria; Bergamaschi, Greta; Boiocchi, Massimo; Legnani, Laura; Presti, Eliana Lo; Miljkovic, Ana; Monzani, Enrico; Pancotti, Francesca","Chloride-binding in organic-water mixtures: the powerful synergy of C-H donor groups within a bowl-shaped cavity.","Chemical communications (Cambridge, England)","2016","52","72","10910","10913","10.1039/c6cc04978h","","","0.7107","MoKα","","0.1804","0.1227","","","0.2647","0.3054","","","","","","1.062","","","","has coordinates","234276","2020-10-21","18:00:00",""
"7124844","12.226","0.004","12.514","0.002","18.219","0.003","75.477","0.012","78.586","0.011","71.715","0.019","2540.5","1.1","293","2","293","2","","","","","","","","6","P -1","-P 1","2","1,3,5-tris(3-(2,3,4,5-tetrafluorobenzyl)-imidazolium-1-methyl)-2,4,6-trimethylbenzene bromide bis(hexafluorophosphate) acetonitrilesolvate","","","- C44 H36 Br F24 N7 P2 -","- C44 H36 Br F24 N7 P2 -","- C88 H72 Br2 F48 N14 P4 -","2","1","","Amendola, Valeria; Bergamaschi, Greta; Boiocchi, Massimo; Legnani, Laura; Presti, Eliana Lo; Miljkovic, Ana; Monzani, Enrico; Pancotti, Francesca","Chloride-binding in organic-water mixtures: the powerful synergy of C-H donor groups within a bowl-shaped cavity.","Chemical communications (Cambridge, England)","2016","52","72","10910","10913","10.1039/c6cc04978h","","","0.71073","MoKα","","0.085","0.0777","","","0.2031","0.2115","","","","","","1.062","","","","has coordinates","234276","2020-10-21","18:00:00",""
"7124845","13.725","0.003","7.0845","0.0016","20.233","0.005","90","","108.593","0.007","90","","1864.7","0.7","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C18 H17 Cl2 N O4 S -","- C18 H17 Cl2 N O4 S -","- C72 H68 Cl8 N4 O16 S4 -","4","1","","Xia, Dong; Li, Yang; Miao, Tao; Li, Pinhua; Wang, Lei","Direct synthesis of sulfonated dihydroisoquinolinones from N-allylbenzamide and arylsulfinic acids via TBHP-promoted cascade radical addition and cyclization.","Chemical communications (Cambridge, England)","2016","52","77","11559","11562","10.1039/c6cc04983d","","","0.71073","MoKα","","0.0492","0.0423","","","0.1017","0.1088","","","","","","1.064","","","","has coordinates","234278","2020-10-21","18:00:00",""
"7124846","9.5936","0.0004","17.0134","0.0007","12.402","0.0005","90","","111.095","0.005","90","","1888.6","0.15","292.71","0.1","292.71","0.1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C42 H40 Br2 N2 O6 -","- C42 H40 Br2 N2 O6 -","- C84 H80 Br4 N4 O12 -","2","1","","Li, Jun-Long; Yang, Kai-Chuan; Li, Yi; Li, Qiang; Zhu, Hong-Ping; Han, Bo; Peng, Cheng; Zhi, Yong-Gang; Gou, Xiao-Jun","Asymmetric synthesis of bicyclic dihydropyrans via organocatalytic inverse-electron-demand oxo-Diels-Alder reactions of enolizable aliphatic aldehydes.","Chemical communications (Cambridge, England)","2016","52","70","10617","10620","10.1039/c6cc05001h","","x-ray","1.54184","CuKα","","0.0616","0.0546","","","0.136","0.1437","","","","","","1.014","","","","has coordinates","234280","2020-10-21","18:00:00",""
"7124847","9.6062","0.0002","11.1759","0.0002","25.6122","0.0004","90","","92.1354","0.0018","90","","2747.76","0.09","217.05","0.1","217.05","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C31 H27 I N2 O2 S -","- C31 H27 I N2 O2 S -","- C124 H108 I4 N8 O8 S4 -","4","1","","Li, Honghe; Li, Xiaoxiao; Zhao, Zhigang; Ma, Ting; Sun, Chenyang; Yang, Bowen","Intermolecular iodofunctionalization of allenamides with indoles, pyrroles, and furans: synthesis of iodine-substituted Z-enamides.","Chemical communications (Cambridge, England)","2016","52","66","10167","10170","10.1039/c6cc05046h","","x-ray","1.54184","CuKα","","0.0627","0.0578","","","0.1498","0.1584","","","","","","1.048","","","","has coordinates","234282","2020-10-21","18:00:00",""
"7124848","8.421","0.0004","10","0.0005","11.8424","0.0005","100.66","0.004","103.744","0.004","90.605","0.004","950.42","0.08","293.67","0.1","293.67","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C19 H18 I N3 O2 S -","- C19 H18 I N3 O2 S -","- C38 H36 I2 N6 O4 S2 -","2","1","","Li, Honghe; Li, Xiaoxiao; Zhao, Zhigang; Ma, Ting; Sun, Chenyang; Yang, Bowen","Intermolecular iodofunctionalization of allenamides with indoles, pyrroles, and furans: synthesis of iodine-substituted Z-enamides.","Chemical communications (Cambridge, England)","2016","52","66","10167","10170","10.1039/c6cc05046h","","x-ray","1.54184","CuKα","","0.0567","0.0547","","","0.1383","0.142","","","","","","1.062","","","","has coordinates","234282","2020-10-21","18:00:00",""
"7124849","9.927","0.003","13.059","0.003","13.682","0.003","69.528","0.014","89.026","0.017","78.107","0.017","1623.1","0.7","123","","123","","","","","","","","","5","P -1","-P 1","2","triazole-10","3H-3-Benzyl-7-(4-fluorophenyl)-1,2,3-triazolo[3,4]benzo[1,2-d]thiazole","","- C20 H13 F N4 S -","- C20 H13 F N4 S -","- C80 H52 F4 N16 S4 -","4","2","","Yoshida, Suguru; Yano, Takahisa; Nishiyama, Yoshitake; Misawa, Yoshihiro; Kondo, Masakazu; Matsushita, Takeshi; Igawa, Kazunobu; Tomooka, Katsuhiko; Hosoya, Takamitsu","Thiazolobenzyne: a versatile intermediate for multisubstituted benzothiazoles.","Chemical communications (Cambridge, England)","2016","52","75","11199","11202","10.1039/c6cc05112j","","","1.54187","CuKα","","","0.0741","","","","0.1402","","","","","","1.039","","","","has coordinates","234285","2020-10-21","18:00:00",""
"7124850","10.6111","0.0003","22.4729","0.0006","14.576","0.0004","90","","92.676","0.002","90","","3472.03","0.17","99","2","99","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","PB-3-33","","","- C32 H64 B Li O8 -","- C32 H64 B Li O8 -","- C128 H256 B4 Li4 O32 -","4","1","","Basnet, Prakash; Thapa, Surendra; Dickie, Diane A.; Giri, Ramesh","The copper-catalysed Suzuki-Miyaura coupling of alkylboron reagents: disproportionation of anionic (alkyl)(alkoxy)borates to anionic dialkylborates prior to transmetalation.","Chemical communications (Cambridge, England)","2016","52","74","11072","11075","10.1039/c6cc05114f","","","0.71073","MoKα","","0.0599","0.0476","","","0.1224","0.1304","","","","","","1.044","","","","has coordinates,has disorder","234287","2020-10-21","18:00:00",""
"7124851","8.3308","0.0004","9.3831","0.0005","10.3351","0.0005","98.43","0.002","106.326","0.002","90.671","0.002","765.74","0.07","101","2","101","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H56 B2 Li2 O6 -","- C28 H56 B2 Li2 O6 -","- C28 H56 B2 Li2 O6 -","1","0.5","","Basnet, Prakash; Thapa, Surendra; Dickie, Diane A.; Giri, Ramesh","The copper-catalysed Suzuki-Miyaura coupling of alkylboron reagents: disproportionation of anionic (alkyl)(alkoxy)borates to anionic dialkylborates prior to transmetalation.","Chemical communications (Cambridge, England)","2016","52","74","11072","11075","10.1039/c6cc05114f","","","0.71073","MoKα","","0.0576","0.053","","","0.1448","0.1492","","","","","","1.032","","","","has coordinates,has disorder","234287","2020-10-21","18:00:00",""
"7124852","10.4273","0.0006","10.8211","0.0005","10.8805","0.0003","85.208","0.003","74.992","0.003","67.508","0.005","1095.45","0.1","108","2","108","2","","","","","","","","5","P -1","-P 1","2","","Zn(BMP-bdc)(DMF)","","- C19 H27 N O9 Zn -","- C19 H27 N O9 Zn -","- C38 H54 N2 O18 Zn2 -","2","1","","Foster, Jonathan A.; Henke, Sebastian; Schneemann, Andreas; Fischer, Roland A.; Cheetham, Anthony K.","Liquid exfoliation of alkyl-ether functionalised layered metal-organic frameworks to nanosheets.","Chemical communications (Cambridge, England)","2016","52","69","10474","10477","10.1039/c6cc05154e","","","0.71073","MoKα","","0.0331","0.0256","","","0.055","0.0558","","","","","","0.962","","","","has coordinates","234292","2020-10-21","18:00:00",""
"7124853","22.2207","0.0003","12.08219","0.00016","20.7776","0.0003","90","","114.995","0.0018","90","","5055.81","0.14","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C27 H24 Au F5 N2 -","- C27 H24 Au F5 N2 -","- C216 H192 Au8 F40 N16 -","8","2","","Johnson, Alice; Gimeno, M Concepción","An efficient and sustainable synthesis of NHC gold complexes.","Chemical communications (Cambridge, England)","2016","52","62","9664","9667","10.1039/c6cc05190a","","","0.71073","MoKα","","0.0237","0.0196","","","0.0424","0.0439","","","","","","1.05","","","","has coordinates","234294","2020-10-21","18:00:00",""
"7124854","12.1492","0.0002","7.1342","0.0002","13.5219","0.0003","90","","97.48","0.002","90","","1162.03","0.05","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C11 H8 Au F5 N2 -","- C11 H8 Au F5 N2 -","- C44 H32 Au4 F20 N8 -","4","1","","Johnson, Alice; Gimeno, M Concepción","An efficient and sustainable synthesis of NHC gold complexes.","Chemical communications (Cambridge, England)","2016","52","62","9664","9667","10.1039/c6cc05190a","","","0.71073","MoKα","","0.0266","0.0254","","","0.0646","0.0656","","","","","","1.1","","","","has coordinates","234294","2020-10-21","18:00:00",""
"7124855","9.2638","0.0002","9.9251","0.0003","10.7976","0.0003","104.458","0.002","104.138","0.002","114.79","0.002","801.05","0.05","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C15 H16 Au F5 N2 -","- C15 H16 Au F5 N2 -","- C30 H32 Au2 F10 N4 -","2","1","","Johnson, Alice; Gimeno, M Concepción","An efficient and sustainable synthesis of NHC gold complexes.","Chemical communications (Cambridge, England)","2016","52","62","9664","9667","10.1039/c6cc05190a","","","0.71073","MoKα","","0.0171","0.0166","","","0.0407","0.041","","","","","","1.075","","","","has coordinates","234294","2020-10-21","18:00:00",""
"7124856","16.6316","0.0003","6.73754","0.00008","23.1802","0.0003","90","","107.797","0.0015","90","","2473.18","0.07","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C29 H32 Au F5 N2 -","- C29 H32 Au F5 N2 -","- C116 H128 Au4 F20 N8 -","4","1","","Johnson, Alice; Gimeno, M Concepción","An efficient and sustainable synthesis of NHC gold complexes.","Chemical communications (Cambridge, England)","2016","52","62","9664","9667","10.1039/c6cc05190a","","","0.71073","MoKα","","0.0163","0.0145","","","0.0342","0.0349","","","","","","1.067","","","","has coordinates","234294","2020-10-21","18:00:00",""
"7124857","27.5965","0.0006","5.8463","0.0001","14.617","0.0004","90","","93.918","0.001","90","","2352.76","0.09","200","2","200","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","FDQPXZ","","- C32 H20 F N3 O -","- C32 H20 F N3 O -","- C128 H80 F4 N12 O4 -","4","1","","Yu, Ling; Wu, Zhongbin; Xie, Guohua; Zhong, Cheng; Zhu, Zece; Cong, Hengjiang; Ma, Dongge; Yang, Chuluo","Achieving a balance between small singlet-triplet energy splitting and high fluorescence radiative rate in a quinoxaline-based orange-red thermally activated delayed fluorescence emitter.","Chemical communications (Cambridge, England)","2016","52","73","11012","11015","10.1039/c6cc05203g","","","1.54178","CuKα","","0.0531","0.0481","","","0.1246","0.1295","","","","","","1.028","","","","has coordinates","234296","2020-10-21","18:00:00",""
"7124858","13.2466","0.0004","13.2466","0.0004","38.4491","0.0011","90","","90","","120","","5842.9","0.3","123","0.2","123","0.2","","","","","","","","10","P 31 2 1","P 31 2""","152","","","","- C55.18 H49.76 B2 Cl3.96 Cu2 F8 Mo4 N4.6 O8 P4 -","- C55.18 H49.76 B2 Cl3.96 Cu2 F8 Mo4 N4.6 O8 P4 -","- C165.54 H149.28 B6 Cl11.88 Cu6 F24 Mo12 N13.8 O24 P12 -","3","0.5","","Elsayed Moussa, M.; Attenberger, B.; Peresypkina, E. V.; Fleischmann, M.; Balázs, G; Scheer, M.","Facile synthesis of one-dimensional organometallic-organic hybrid polymers based on a diphosphorus complex and flexible bipyridyl linkers.","Chemical communications (Cambridge, England)","2016","52","65","10004","10007","10.1039/c6cc05224j","","x-ray","1.54184","CuKα","","0.0785","0.0636","","","0.1757","0.1851","","","","","","0.996","","","","has coordinates,has disorder","234298","2020-10-21","18:00:00",""
"7124859","12.15","0.0005","12.9837","0.0005","13.0995","0.0005","112.581","0.004","95.502","0.003","112.579","0.004","1688.53","0.15","123","2","123","2","","","","","","","","10","P -1","-P 1","2","","","","- C28.2 H25.9 B Cl0.4 Cu F4 Mo2 N2.5 O4 P2 -","- C28.2 H25.9 B Cl0.4 Cu F4 Mo2 N2.5 O4 P2 -","- C56.4 H51.8 B2 Cl0.8 Cu2 F8 Mo4 N5 O8 P4 -","2","1","","Elsayed Moussa, M.; Attenberger, B.; Peresypkina, E. V.; Fleischmann, M.; Balázs, G; Scheer, M.","Facile synthesis of one-dimensional organometallic-organic hybrid polymers based on a diphosphorus complex and flexible bipyridyl linkers.","Chemical communications (Cambridge, England)","2016","52","65","10004","10007","10.1039/c6cc05224j","","x-ray","1.54178","CuKα","","0.0691","0.0664","","","0.1857","0.1886","","","","","","1.08","","","","has coordinates,has disorder","234298","2020-10-21","18:00:00",""
"7124860","11.051","0.0003","12.9411","0.0003","14.5125","0.0004","107.454","0.002","109.734","0.002","92.922","0.002","1836.64","0.09","150","2","150","2","","","","","","","","10","P -1","-P 1","2","","","","- C28.1 H22.2 B Cl0.2 Cu F4 Mo2 N2 O8 P2 -","- C28.1 H22 B Cl0.2 Cu F4 Mo2 N2 O8 P2 -","- C56.2 H44 B2 Cl0.4 Cu2 F8 Mo4 N4 O16 P4 -","2","1","","Elsayed Moussa, M.; Attenberger, B.; Peresypkina, E. V.; Fleischmann, M.; Balázs, G; Scheer, M.","Facile synthesis of one-dimensional organometallic-organic hybrid polymers based on a diphosphorus complex and flexible bipyridyl linkers.","Chemical communications (Cambridge, England)","2016","52","65","10004","10007","10.1039/c6cc05224j","","","1.54178","CuKα","","0.0627","0.0554","","","0.1845","0.1932","","","","","","1.073","","","","has coordinates,has disorder","234298","2020-10-21","18:00:00",""
"7124861","23.3364","0.0011","15.9366","0.0004","20.1067","0.0007","90","","116.735","0.004","90","","6678.3","0.5","123","1","123","1","","","","","","","see text","10","C 1 2/c 1","-C 2yc","15","","","","- C57 H46 B2 Cl2 Cu2 F8 Mo4 N4 O16 P4 -","- C57 H46 B2 Cl2 Cu2 F8 Mo4 N4 O16 P4 -","- C228 H184 B8 Cl8 Cu8 F32 Mo16 N16 O64 P16 -","4","0.5","","Elsayed Moussa, M.; Attenberger, B.; Peresypkina, E. V.; Fleischmann, M.; Balázs, G; Scheer, M.","Facile synthesis of one-dimensional organometallic-organic hybrid polymers based on a diphosphorus complex and flexible bipyridyl linkers.","Chemical communications (Cambridge, England)","2016","52","65","10004","10007","10.1039/c6cc05224j","","x-ray","1.54178","CuKα","","0.05","0.041","","","0.1204","0.1256","","","","","","1.063","","","","has coordinates","234298","2020-10-21","18:00:00",""
"7124862","14.9491","0.0003","11.0572","0.0003","20.4604","0.0004","90","","102.897","0.002","90","","3296.69","0.13","99.97","0.15","99.97","0.15","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C36 H17 B2 F20 N -","- C36 H17 B2 F20 N -","- C144 H68 B8 F80 N4 -","4","1","","Körte, Leif A; Blomeyer, Sebastian; Heidemeyer, Shari; Mix, Andreas; Neumann, Beate; Mitzel, Norbert W.","Intramolecular cooperativity in frustrated Lewis pairs.","Chemical communications (Cambridge, England)","2016","52","64","9949","9952","10.1039/c6cc05228b","","x-ray","1.54184","CuKα","","0.0478","0.0352","","","0.083","0.0902","","","","","","1.03","","","","has coordinates","234300","2020-10-21","18:00:00",""
"7124863","7.0022","0.0006","11.1149","0.001","12.7151","0.001","72.088","0.008","85.357","0.007","77.321","0.008","918.58","0.14","100","0.1","100","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C13 H22 B10 O2 -","- C13 H22 B10 O2 -","- C26 H44 B20 O4 -","2","1","","Zheng, Fangrui; Leung, Tsz-Fai; Chan, Ka-Wing; Sung, Herman H. Y.; Williams, Ian D.; Xie, Zuowei; Jia, Guochen","Phosphine-catalyzed cage carbon functionalization of o-carborane: facile synthesis of alkenylcarboranes.","Chemical communications (Cambridge, England)","2016","52","71","10767","10770","10.1039/c6cc05283e","","x-ray","1.54184","CuKα","","0.0728","0.0481","","","0.0989","0.1091","","","","","","1","","","","has coordinates","234304","2020-10-21","18:00:00",""
"7124864","6.9249","0.0005","11.0485","0.0012","13.4241","0.0014","70.985","0.01","82.699","0.007","79.375","0.007","951.9","0.17","173","0.1","173","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C14 H24 B10 O2 -","- C14 H24 B10 O2 -","- C28 H48 B20 O4 -","2","1","","Zheng, Fangrui; Leung, Tsz-Fai; Chan, Ka-Wing; Sung, Herman H. Y.; Williams, Ian D.; Xie, Zuowei; Jia, Guochen","Phosphine-catalyzed cage carbon functionalization of o-carborane: facile synthesis of alkenylcarboranes.","Chemical communications (Cambridge, England)","2016","52","71","10767","10770","10.1039/c6cc05283e","","x-ray","1.54184","CuKα","","0.0931","0.051","","","0.0933","0.1114","","","","","","1.001","","","","has coordinates","234304","2020-10-21","18:00:00",""
"7124865","7.3998","0.0003","11.4524","0.0005","12.796","0.0005","101.746","0.003","102.967","0.004","101.723","0.004","998.81","0.08","100.01","0.1","100.01","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C15 H27 B10 N O2 -","- C15 H27 B10 N O2 -","- C30 H54 B20 N2 O4 -","2","1","","Zheng, Fangrui; Leung, Tsz-Fai; Chan, Ka-Wing; Sung, Herman H. Y.; Williams, Ian D.; Xie, Zuowei; Jia, Guochen","Phosphine-catalyzed cage carbon functionalization of o-carborane: facile synthesis of alkenylcarboranes.","Chemical communications (Cambridge, England)","2016","52","71","10767","10770","10.1039/c6cc05283e","","x-ray","1.54184","CuKα","","0.0398","0.0384","","","0.098","0.0994","","","","","","1.001","","","","has coordinates","234304","2020-10-21","18:00:00",""
"7124866","14.2465","0.0015","6.9536","0.0007","19.296","0.003","90","","103.257","0.014","90","","1860.6","0.4","99.95","0.13","99.95","0.13","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C13 H21 B10 Cl O2 -","- C13 H21 B10 Cl O2 -","- C52 H84 B40 Cl4 O8 -","4","1","","Zheng, Fangrui; Leung, Tsz-Fai; Chan, Ka-Wing; Sung, Herman H. Y.; Williams, Ian D.; Xie, Zuowei; Jia, Guochen","Phosphine-catalyzed cage carbon functionalization of o-carborane: facile synthesis of alkenylcarboranes.","Chemical communications (Cambridge, England)","2016","52","71","10767","10770","10.1039/c6cc05283e","","x-ray","0.71073","MoKα","","0.1786","0.0795","","","0.1376","0.1836","","","","","","1","","","","has coordinates","234304","2020-10-21","18:00:00",""
"7124867","14.3765","0.0002","6.99225","0.00009","19.7177","0.0003","90","","105.687","0.0016","90","","1908.28","0.05","173","0.1","173","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C13 H21 B10 Br O2 -","- C13 H21 B10 Br O2 -","- C52 H84 B40 Br4 O8 -","4","1","","Zheng, Fangrui; Leung, Tsz-Fai; Chan, Ka-Wing; Sung, Herman H. Y.; Williams, Ian D.; Xie, Zuowei; Jia, Guochen","Phosphine-catalyzed cage carbon functionalization of o-carborane: facile synthesis of alkenylcarboranes.","Chemical communications (Cambridge, England)","2016","52","71","10767","10770","10.1039/c6cc05283e","","x-ray","1.54184","CuKα","","0.0391","0.0346","","","0.0894","0.0927","","","","","","1","","","","has coordinates","234304","2020-10-21","18:00:00",""
"7124868","15.59137","0.00016","7.11207","0.00007","20.7564","0.0002","90","","106.786","0.0011","90","","2203.55","0.04","100.01","0.1","100.01","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H26 B10 O2 -","- C19 H26 B10 O2 -","- C76 H104 B40 O8 -","4","1","","Zheng, Fangrui; Leung, Tsz-Fai; Chan, Ka-Wing; Sung, Herman H. Y.; Williams, Ian D.; Xie, Zuowei; Jia, Guochen","Phosphine-catalyzed cage carbon functionalization of o-carborane: facile synthesis of alkenylcarboranes.","Chemical communications (Cambridge, England)","2016","52","71","10767","10770","10.1039/c6cc05283e","","x-ray","1.54184","CuKα","","0.0388","0.0373","","","0.0969","0.0984","","","","","","1.001","","","","has coordinates","234304","2020-10-21","18:00:00",""
"7124869","7.5123","0.0003","11.5047","0.0005","13.1285","0.0006","109.896","0.004","91.522","0.004","105.035","0.004","1022.13","0.09","173","1","173","1","","","","","","","","4","P -1","-P 1","2","","","","- C17 H24 B10 O2 -","- C17 H24 B10 O2 -","- C34 H48 B20 O4 -","2","1","","Zheng, Fangrui; Leung, Tsz-Fai; Chan, Ka-Wing; Sung, Herman H. Y.; Williams, Ian D.; Xie, Zuowei; Jia, Guochen","Phosphine-catalyzed cage carbon functionalization of o-carborane: facile synthesis of alkenylcarboranes.","Chemical communications (Cambridge, England)","2016","52","71","10767","10770","10.1039/c6cc05283e","","x-ray","1.54184","CuKα","","0.0537","0.0504","","","0.1358","0.1396","","","","","","1.001","","","","has coordinates,has disorder","234304","2020-10-21","18:00:00",""
"7124870","26.4656","0.0006","8.57309","0.00014","20.8506","0.0004","90","","111.965","0.002","90","","4387.43","0.16","100.01","0.1","100.01","0.1","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C18 H26 B10 O3 -","- C18 H26 B10 O3 -","- C144 H208 B80 O24 -","8","1","","Zheng, Fangrui; Leung, Tsz-Fai; Chan, Ka-Wing; Sung, Herman H. Y.; Williams, Ian D.; Xie, Zuowei; Jia, Guochen","Phosphine-catalyzed cage carbon functionalization of o-carborane: facile synthesis of alkenylcarboranes.","Chemical communications (Cambridge, England)","2016","52","71","10767","10770","10.1039/c6cc05283e","","x-ray","1.54184","CuKα","","0.0547","0.0453","","","0.1284","0.1359","","","","","","1.001","","","","has coordinates","234304","2020-10-21","18:00:00",""
"7124871","22.1533","0.0003","6.78019","0.00007","23.3341","0.0003","90","","100.05","0.0011","90","","3451.09","0.07","99.96","0.1","99.96","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C11 H20 B10 O3 -","- C11 H20 B10 O3 -","- C88 H160 B80 O24 -","8","2","","Zheng, Fangrui; Leung, Tsz-Fai; Chan, Ka-Wing; Sung, Herman H. Y.; Williams, Ian D.; Xie, Zuowei; Jia, Guochen","Phosphine-catalyzed cage carbon functionalization of o-carborane: facile synthesis of alkenylcarboranes.","Chemical communications (Cambridge, England)","2016","52","71","10767","10770","10.1039/c6cc05283e","","x-ray","1.54184","CuKα","","0.0533","0.047","","","0.1247","0.1317","","","","","","1.001","","","","has coordinates,has disorder","234304","2020-10-21","18:00:00",""
"7124872","14.009","0.002","7.0087","0.0011","17.9756","0.0019","90","","100.292","0.012","90","","1736.5","0.4","99.94","0.14","99.94","0.14","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C11 H20 B10 O2 S -","- C11 H20 B10 O2 S -","- C44 H80 B40 O8 S4 -","4","1","","Zheng, Fangrui; Leung, Tsz-Fai; Chan, Ka-Wing; Sung, Herman H. Y.; Williams, Ian D.; Xie, Zuowei; Jia, Guochen","Phosphine-catalyzed cage carbon functionalization of o-carborane: facile synthesis of alkenylcarboranes.","Chemical communications (Cambridge, England)","2016","52","71","10767","10770","10.1039/c6cc05283e","","x-ray","1.54184","CuKα","","0.1209","0.0636","","","0.1079","0.133","","","","","","1.001","","","","has coordinates","234304","2020-10-21","18:00:00",""
"7124873","14.1171","0.0003","7.06182","0.00011","17.8292","0.0003","90","","100.102","0.0018","90","","1749.88","0.06","99.95","0.19","99.95","0.19","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C11 H20 B10 O2 S -","- C11 H20 B10 O2 S -","- C44 H80 B40 O8 S4 -","4","1","","Zheng, Fangrui; Leung, Tsz-Fai; Chan, Ka-Wing; Sung, Herman H. Y.; Williams, Ian D.; Xie, Zuowei; Jia, Guochen","Phosphine-catalyzed cage carbon functionalization of o-carborane: facile synthesis of alkenylcarboranes.","Chemical communications (Cambridge, England)","2016","52","71","10767","10770","10.1039/c6cc05283e","","x-ray","1.54184","CuKα","","0.0467","0.0378","","","0.0967","0.1019","","","","","","1.01","","","","has coordinates","234304","2020-10-21","18:00:00",""
"7124874","22.0219","0.0003","6.88628","0.0001","24.2999","0.0004","90","","104.579","0.0016","90","","3566.4","0.1","99.94","0.18","99.94","0.18","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C12 H21 B10 N O2 -","- C12 H21 B10 N O2 -","- C96 H168 B80 N8 O16 -","8","1","","Zheng, Fangrui; Leung, Tsz-Fai; Chan, Ka-Wing; Sung, Herman H. Y.; Williams, Ian D.; Xie, Zuowei; Jia, Guochen","Phosphine-catalyzed cage carbon functionalization of o-carborane: facile synthesis of alkenylcarboranes.","Chemical communications (Cambridge, England)","2016","52","71","10767","10770","10.1039/c6cc05283e","","x-ray","1.54184","CuKα","","0.045","0.041","","","0.11","0.1134","","","","","","1.001","","","","has coordinates","234304","2020-10-21","18:00:00",""
"7124875","18.7517","0.0001","28.4384","0.0003","21.539","0.0002","90","","115.122","0.0003","90","","10399.6","0.16","113","2","113","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C124 Cl12 N7 O73 Si2 Sn6 W18 -","- C124 Cl12 N7 O73 Si2 Sn6 W18 -","- C248 Cl24 N14 O146 Si4 Sn12 W36 -","2","1","","Suzuki, Kosuke; Hanaya, Takumi; Sato, Rinta; Minato, Takuo; Yamaguchi, Kazuya; Mizuno, Noritaka","Hexanuclear tin(ii) and mixed valence tin(ii,iv) oxide clusters within polyoxometalates.","Chemical communications (Cambridge, England)","2016","52","70","10688","10691","10.1039/c6cc05284c","","","0.71069","MoKα","","0.0875","0.0724","","","0.1845","0.2046","","","","","","1.038","","","","has coordinates,has disorder","234306","2020-10-21","18:00:00",""
"7124876","17.6999","0.0002","18.7362","0.0002","29.8744","0.0004","82.659","0.001","88.278","0.001","74.291","0.001","9458.9","0.2","113","2","113","2","","","","","","","","6","P -1","-P 1","2","","","","- C115 N10 O77 Si2 Sn6 W18 -","- C115 N10 O77 Si2 Sn6 W18 -","- C230 N20 O154 Si4 Sn12 W36 -","2","1","","Suzuki, Kosuke; Hanaya, Takumi; Sato, Rinta; Minato, Takuo; Yamaguchi, Kazuya; Mizuno, Noritaka","Hexanuclear tin(ii) and mixed valence tin(ii,iv) oxide clusters within polyoxometalates.","Chemical communications (Cambridge, England)","2016","52","70","10688","10691","10.1039/c6cc05284c","","","0.71069","MoKα","","0.1126","0.0767","","","0.1869","0.2039","","","","","","1.048","","","","has coordinates","234306","2020-10-21","18:00:00",""
"7124877","13.967","0.005","15.48","0.005","20.893","0.005","89.948","0.005","83.096","0.005","89.209","0.005","4484","2","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C64 H36 F4 N2 O8 Zn2 -","- C64 H36 F4 N2 O8 Zn2 -","- C128 H72 F8 N4 O16 Zn4 -","2","1","","Wang, Fangming; Liu, Wei; Teat, Simon J.; Xu, Feng; Wang, Hao; Wang, Xinlong; An, Litao; Li, Jing","Chromophore-immobilized luminescent metal-organic frameworks as potential lighting phosphors and chemical sensors.","Chemical communications (Cambridge, England)","2016","52","67","10249","10252","10.1039/c6cc05290h","","","0.7749","synchrotron","","0.102","0.0965","","","0.3234","0.3447","","","","","","1.098","","","","has coordinates,has disorder","234308","2020-10-21","18:00:00",""
"7124878","16.317","0.0006","16.8197","0.0007","20.0452","0.0008","89.982","0.002","85.952","0.002","85.919","0.002","5473.6","0.4","253","2","253","2","","","","","","","","6","P -1","-P 1","2","","","","- C66 H38 F4 N2 O8 Zn2 -","- C66 H38 F4 N2 O8 Zn2 -","- C132 H76 F8 N4 O16 Zn4 -","2","1","","Wang, Fangming; Liu, Wei; Teat, Simon J.; Xu, Feng; Wang, Hao; Wang, Xinlong; An, Litao; Li, Jing","Chromophore-immobilized luminescent metal-organic frameworks as potential lighting phosphors and chemical sensors.","Chemical communications (Cambridge, England)","2016","52","67","10249","10252","10.1039/c6cc05290h","","","0.7749","synchrotron","","0.0794","0.0588","","","0.1846","0.1996","","","","","","1.063","","","","has coordinates,has disorder","234308","2020-10-21","18:00:00",""
"7124879","10.023","0.004","7.569","0.003","13.421","0.005","90","","108.949","0.007","90","","963","0.7","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C23 H22 S2 -","- C23 H22 S2 -","- C46 H44 S4 -","2","1","","Xu, Wei; Chen, Ming; Sun, Ning; Liu, Yuanhong","Gold-catalyzed cyclization of 1,6-diynyl dithioacetals via 1,7-carbene transfer and aromatic C-H functionalization.","Chemical communications (Cambridge, England)","2016","52","73","11000","11003","10.1039/c6cc05302e","","","0.71073","MoKα","","0.0822","0.0694","","","0.1679","0.1791","","","","","","1.031","","","","has coordinates","234311","2020-10-21","18:00:00",""
"7124880","15.567","0.002","7.3046","0.0011","12.5049","0.0018","90","","107.222","0.003","90","","1358.2","0.3","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H16 O S2 -","- C15 H16 O S2 -","- C60 H64 O4 S8 -","4","1","","Xu, Wei; Chen, Ming; Sun, Ning; Liu, Yuanhong","Gold-catalyzed cyclization of 1,6-diynyl dithioacetals via 1,7-carbene transfer and aromatic C-H functionalization.","Chemical communications (Cambridge, England)","2016","52","73","11000","11003","10.1039/c6cc05302e","","","0.71073","MoKα","","0.0569","0.0481","","","0.1325","0.1401","","","","","","1.06","","","","has coordinates","234311","2020-10-21","18:00:00",""
"7124881","10.601","0.002","19.272","0.004","11.193","0.002","90","","117.501","0.004","90","","2028.4","0.7","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C52 H40 O2 S4 -","- C52 H40 O2 S4 -","- C104 H80 O4 S8 -","2","1","","Xu, Wei; Chen, Ming; Sun, Ning; Liu, Yuanhong","Gold-catalyzed cyclization of 1,6-diynyl dithioacetals via 1,7-carbene transfer and aromatic C-H functionalization.","Chemical communications (Cambridge, England)","2016","52","73","11000","11003","10.1039/c6cc05302e","","","0.71073","MoKα","","0.1405","0.0938","","","0.1988","0.2244","","","","","","1.039","","","","has coordinates","234311","2020-10-21","18:00:00",""
"7124882","22.945","0.01","11.378","0.004","16.575","0.006","90","","111.887","0.012","90","","4015","3","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C26 H20 O S2 -","- C26 H19 O S2 -","- C208 H152 O8 S16 -","8","1","","Xu, Wei; Chen, Ming; Sun, Ning; Liu, Yuanhong","Gold-catalyzed cyclization of 1,6-diynyl dithioacetals via 1,7-carbene transfer and aromatic C-H functionalization.","Chemical communications (Cambridge, England)","2016","52","73","11000","11003","10.1039/c6cc05302e","","","0.71073","MoKα","","0.1679","0.0942","","","0.2161","0.2571","","","","","","1.017","","","","has coordinates,has disorder","234311","2020-10-21","18:00:00",""
"7124883","12.9088","0.0008","13.5954","0.0008","18.3182","0.001","90","","93.268","0.001","90","","3209.6","0.3","293","2","293","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C28 H38 Au F6 N O2 P Sb -","- C28 H38 Au F6 N O2 P Sb -","- C112 H152 Au4 F24 N4 O8 P4 Sb4 -","4","1","","Xu, Wei; Chen, Ming; Sun, Ning; Liu, Yuanhong","Gold-catalyzed cyclization of 1,6-diynyl dithioacetals via 1,7-carbene transfer and aromatic C-H functionalization.","Chemical communications (Cambridge, England)","2016","52","73","11000","11003","10.1039/c6cc05302e","","","0.71073","MoKα","","0.0491","0.0342","","","0.0845","0.0911","","","","","","1.036","","","","has coordinates,has disorder","234311","2020-10-21","18:00:00",""
"7124884","11.9307","0.0016","11.8029","0.0015","13.8044","0.0018","90","","98.163","0.003","90","","1924.2","0.4","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C26 H20 S2 -","- C26 H20 S2 -","- C104 H80 S8 -","4","1","","Xu, Wei; Chen, Ming; Sun, Ning; Liu, Yuanhong","Gold-catalyzed cyclization of 1,6-diynyl dithioacetals via 1,7-carbene transfer and aromatic C-H functionalization.","Chemical communications (Cambridge, England)","2016","52","73","11000","11003","10.1039/c6cc05302e","","","0.71073","MoKα","","0.0726","0.0536","","","0.1388","0.1507","","","","","","1.04","","","","has coordinates,has disorder","234311","2020-10-21","18:00:00",""
"7124885","15.8061","0.0019","6.3393","0.0008","21.023","0.003","90","","95.291","0.003","90","","2097.5","0.5","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C29 H20 S2 -","- C29 H20 S2 -","- C116 H80 S8 -","4","1","","Xu, Wei; Chen, Ming; Sun, Ning; Liu, Yuanhong","Gold-catalyzed cyclization of 1,6-diynyl dithioacetals via 1,7-carbene transfer and aromatic C-H functionalization.","Chemical communications (Cambridge, England)","2016","52","73","11000","11003","10.1039/c6cc05302e","","","0.71073","MoKα","","0.0769","0.053","","","0.1362","0.1506","","","","","","1.042","","","","has coordinates","234311","2020-10-21","18:00:00",""
"7124886","9.8628","0.0016","11.701","0.0019","12.236","0.002","108.538","0.003","104.931","0.003","90.24","0.003","1287.9","0.4","273","2","273.15","","","","","","","","","4","P -1","-P 1","2","","","","- C28 H24 O3 S2 -","- C28 H24 O3 S2 -","- C56 H48 O6 S4 -","2","1","","Xu, Wei; Chen, Ming; Sun, Ning; Liu, Yuanhong","Gold-catalyzed cyclization of 1,6-diynyl dithioacetals via 1,7-carbene transfer and aromatic C-H functionalization.","Chemical communications (Cambridge, England)","2016","52","73","11000","11003","10.1039/c6cc05302e","","","0.71073","MoKα","","0.1132","0.0483","","","0.1134","0.1295","","","","","","0.888","","","","has coordinates","234311","2020-10-21","18:00:00",""
"7124887","6.1447","0.0004","8.6445","0.0006","12.6178","0.0009","90","","101.032","0.003","90","","657.84","0.08","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C13 H11 Cl N4 O -","- C13 H11 Cl N4 O -","- C26 H22 Cl2 N8 O2 -","2","1","","Vishwanath, Manjunatha; Sivamuthuraman, Koilpitchai; Kesavan, Venkitasamy","An efficient construction of N,N-bicyclic pyrazolidinones comprising enaminonitriles via asymmetric [3+2] cycloaddition.","Chemical communications (Cambridge, England)","2016","52","83","12314","12317","10.1039/c6cc05304a","","","0.71073","MoKα","","0.0465","0.0344","","","0.0629","0.0666","","","","","","1.134","","","","has coordinates","234313","2020-10-21","18:00:00",""
"7124888","11.225","0.002","12.338","0.002","18.269","0.003","72.433","0.003","82.638","0.004","89.18","0.004","2391.5","0.7","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C50 H96 Br8 Dy6 N14 O32 -","- C50 H96 Br8 Dy6 N14 O32 -","- C50 H96 Br8 Dy6 N14 O32 -","1","0.5","","Li, Xiao-Lei; Wu, Jianfeng; Tang, Jinkui; Le Guennic, Boris; Shi, Wei; Cheng, Peng","A planar triangular Dy3 + Dy3 single-molecule magnet with a toroidal magnetic moment.","Chemical communications (Cambridge, England)","2016","52","61","9570","9573","10.1039/c6cc05326b","","","0.71073","MoKα","","0.1206","0.0851","","","0.226","0.2555","","","","","","1.042","","","","has coordinates","234315","2020-10-21","18:00:00",""
"7124889","6.897","0.0005","15.6685","0.0009","9.6096","0.0006","90","","102.131","0.007","90","","1015.28","0.12","100","2","100","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C16 H16 Co Dy N8 O5 -","- C16 H14 Co Dy N8 O5 -","- C32 H28 Co2 Dy2 N16 O10 -","2","0.5","","Chorazy, Szymon; Wang, Junhao; Ohkoshi, Shin-Ichi","Yellow to greenish-blue colour-tunable photoluminescence and 4f-centered slow magnetic relaxation in a cyanido-bridged Dy(III)(4-hydroxypyridine)-Co(III) layered material.","Chemical communications (Cambridge, England)","2016","52","71","10795","10798","10.1039/c6cc05337h","","x-ray","0.71075","MoKα","","0.0801","0.0624","","","0.1023","0.1119","","","","","","1.21","","","","has coordinates","234317","2020-10-21","18:00:00",""
"7124890","12.9667","0.0006","18.0916","0.0008","18.8976","0.0009","90","","95.342","0.004","90","","4413.9","0.4","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C45 H62 Cl2 N4 O4 Zr -","- C45 H62 Cl2 N4 O4 Zr -","- C180 H248 Cl8 N16 O16 Zr4 -","4","1","","Schneider, Fabian; Zhao, Tiankun; Huhn, Thomas","Cytotoxic heteroleptic heptacoordinate salan zirconium(iv)-bis-chelates - synthesis, aqueous stability and X-ray structure analysis.","Chemical communications (Cambridge, England)","2016","52","66","10151","10154","10.1039/c6cc05359a","","","0.71073","MoKα","","0.0581","0.0468","","","0.1235","0.1306","","","","","","1.056","","","","has coordinates","234319","2020-10-21","18:00:00",""
"7124891","9.4729","0.0014","22.863","0.005","12.408","0.002","90","","93.774","0.014","90","","2681.5","0.8","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C29 H33 N3 O6 Zr -","- C29 H33 N3 O6 Zr -","- C116 H132 N12 O24 Zr4 -","4","1","","Schneider, Fabian; Zhao, Tiankun; Huhn, Thomas","Cytotoxic heteroleptic heptacoordinate salan zirconium(iv)-bis-chelates - synthesis, aqueous stability and X-ray structure analysis.","Chemical communications (Cambridge, England)","2016","52","66","10151","10154","10.1039/c6cc05359a","","","0.71073","MoKα","","0.0285","0.023","","","0.0652","0.0665","","","","","","1.243","","","","has coordinates","234319","2020-10-21","18:00:00",""
"7124892","9.8867","0.001","10.3242","0.001","16.1713","0.0016","76.107","0.006","86.224","0.006","73.616","0.006","1537.3","0.3","150","2","149.99","","","","","","","","","6","P -1","-P 1","2","","","","- C31 H29 B2 F10 N O2 -","- C31 H29 B2 F10 N O2 -","- C62 H58 B4 F20 N2 O4 -","2","1","","Fleige, Mirco; Möbus, Juri; Vom Stein, Thorsten; Glorius, Frank; Stephan, Douglas W.","Lewis acid catalysis: catalytic hydroboration of alkynes initiated by Piers' borane.","Chemical communications (Cambridge, England)","2016","52","72","10830","10833","10.1039/c6cc05360b","","","0.71073","MoKα","","0.1429","0.0552","","","0.1213","0.1566","","","","","","1.0147","","","","has coordinates","234321","2020-10-21","18:00:00",""
"7124893","21","0.0018","7.6152","0.0006","23.7899","0.0019","90","","112.403","0.002","90","","3517.3","0.5","179","2","179","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H16 Br N2 O2 -","- C20 H16 Br N2 O2 -","- C160 H128 Br8 N16 O16 -","8","2","","Das, Tapas; Kayet, Anirban; Mishra, Ruchika; Singh, Vinod K.","Highly fluorescent 1,2-dihydropyrimido[1,6-α]indole: an efficient metal free synthesis and photophysical study.","Chemical communications (Cambridge, England)","2016","52","75","11231","11234","10.1039/c6cc05378e","","","0.71073","MoKα","","0.0917","0.0495","","","0.094","0.1062","","","","","","1.031","","","","has coordinates","234323","2020-10-21","18:00:00",""
"7124894","26.6592","0.0009","23.6211","0.0007","19.6982","0.0007","90","","90","","90","","12404.3","0.7","120","","120","","","","","","","","","6","C m c 21","C 2c -2","36","","","","- C120 H101 B Cl6 N12 O5 -","- C120 H101 B Cl6 N12 O5 -","- C480 H404 B4 Cl24 N48 O20 -","4","0.5","","Zhang, Yuehong; Oh, Juwon; Wang, Kang; Shin, Dongju; Zhan, Xiaopeng; Zheng, Yingting; Kim, Dongho; Jiang, Jianzhuang","The first porphyrin-subphthalocyaninatoboron(iii)-fused hybrid with unique conformation and intramolecular charge transfer behavior.","Chemical communications (Cambridge, England)","2016","52","69","10517","10520","10.1039/c6cc05383a","","","1.54184","CuKα","","0.0948","0.0831","","","0.2429","0.2563","","","","","","1.065","","","","has coordinates","234325","2020-10-21","18:00:00",""
"7124895","7.0903","0.0005","10.2299","0.001","11.0836","0.001","67.824","0.009","77.107","0.007","79.532","0.007","721.45","0.12","180.01","0.1","180.01","0.1","","","","","","","","3","P -1","-P 1","2","","","","- C19 H16 O3 -","- C19 H16 O3 -","- C38 H32 O6 -","2","1","","Jiang, Chongguo; Xiong, Zhiling; Jin, Shengfei; Gao, Peng; Tang, Yingzhan; Wang, Yanshi; Du, Chuan; Wang, Xiaoyu; Liu, Yang; Lin, Bin; Liu, Yongxiang; Cheng, Maosheng","A Au(i)-catalyzed hydrogen bond-directed tandem strategy to synthesize indeno-chromen-4-one and indeno-quinolin-4-one derivatives.","Chemical communications (Cambridge, England)","2016","52","77","11516","11519","10.1039/c6cc05391b","","","0.71073","MoKα","","0.0736","0.0538","","","0.1363","0.1531","","","","","","1.1","","","","has coordinates","234327","2020-10-21","18:00:00",""
"7124896","20.898","0.003","20.898","0.003","20.898","0.003","90","","90","","90","","9127","2","296","2","296","2","","","","","","","","5","P 21 3","P 2ac 2ab 3","198","","","","- C78 H66 Eu N7 O18 -","- C78 H66 Eu N7 O18 -","- C312 H264 Eu4 N28 O72 -","4","0.333333","","Sun, Yan-Qiong; Wan, Fang; Li, Xin-Xiong; Lin, Jian; Wu, Tao; Zheng, Shou-Tian; Bu, Xianhui","A lanthanide complex for metal encapsulations and anion exchanges.","Chemical communications (Cambridge, England)","2016","52","66","10125","10128","10.1039/c6cc05404h","","","0.71073","MoKα","","0.0643","0.0559","","","0.1544","0.1595","","","","","","1.041","","","","has coordinates","234329","2020-10-21","18:00:00",""
"7124897","20.509","0.0001","20.509","0.0001","20.509","0.0001","90","","90","","90","","8626.48","0.07","296","2","296","2","","","","","","","","6","P 21 3","P 2ac 2ab 3","198","","","","- C78 H60 Cd Eu N7.5 O26 -","- C78 H60 Cd0.99 Eu N7.5 O25.97 -","- C312 H240 Cd3.96 Eu4 N30 O103.88 -","4","0.333333","","Sun, Yan-Qiong; Wan, Fang; Li, Xin-Xiong; Lin, Jian; Wu, Tao; Zheng, Shou-Tian; Bu, Xianhui","A lanthanide complex for metal encapsulations and anion exchanges.","Chemical communications (Cambridge, England)","2016","52","66","10125","10128","10.1039/c6cc05404h","","","1.54178","CuKα","","0.0733","0.0711","","","0.1996","0.2039","","","","","","1.057","","","","has coordinates","234329","2020-10-21","18:00:00",""
"7124898","20.25","0.003","12.1502","0.0017","13.984","0.004","90","","123.951","0.002","90","","2854.1","1","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C26 H20 Cl4 Hg2 N2 O5 -","- C26 H20 Cl4 Hg2 N2 O5 -","- C104 H80 Cl16 Hg8 N8 O20 -","4","0.5","","Sun, Yan-Qiong; Wan, Fang; Li, Xin-Xiong; Lin, Jian; Wu, Tao; Zheng, Shou-Tian; Bu, Xianhui","A lanthanide complex for metal encapsulations and anion exchanges.","Chemical communications (Cambridge, England)","2016","52","66","10125","10128","10.1039/c6cc05404h","","","0.71073","MoKα","","0.0419","0.0331","","","0.0999","0.1152","","","","","","1.132","","","","has coordinates","234329","2020-10-21","18:00:00",""
"7124899","16.777","0.003","12.3446","0.0019","13.27","0.002","90","","96.886","0.002","90","","2728.5","0.8","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C52 H48 N8 O25 Pb2 -","- C53 H40 N8 O24 Pb2 -","- C106 H80 N16 O48 Pb4 -","2","0.5","","Sun, Yan-Qiong; Wan, Fang; Li, Xin-Xiong; Lin, Jian; Wu, Tao; Zheng, Shou-Tian; Bu, Xianhui","A lanthanide complex for metal encapsulations and anion exchanges.","Chemical communications (Cambridge, England)","2016","52","66","10125","10128","10.1039/c6cc05404h","","","0.71073","MoKα","","0.0415","0.0323","","","0.1002","0.1174","","","","","","1.181","","","","has coordinates","234329","2020-10-21","18:00:00",""
"7124900","18.222","0.009","5.648","0.003","20.014","0.009","90","","97.925","0.011","90","","2040.1","1.7","293","2","293","2","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","","","","- C14 H12 -","- C14 H12 -","- C112 H96 -","8","2","","Chen, Gen-Qiang; Fang, Wei; Wei, Yin; Tang, Xiang-Ying; Shi, Min","Gold(i)-catalyzed dehydrogenative cycloisomerization of 1,5-enynes.","Chemical communications (Cambridge, England)","2016","52","71","10799","10802","10.1039/c6cc05423d","","","0.71073","MoKα","","0.1948","0.1149","","","0.2699","0.3205","","","","","","1.036","","","","has coordinates","234332","2020-10-21","18:00:00",""
"7124901","9.821","0.003","12.383","0.003","15.111","0.004","79.156","0.003","84.922","0.004","73.193","0.003","1726.7","0.8","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","","","- C41 H30 B Cl3 N4 O2 -","- C41 H30 B Cl3 N4 O2 -","- C82 H60 B2 Cl6 N8 O4 -","2","1","","Saikawa, Makoto; Nakamura, Takashi; Uchida, Junji; Yamamura, Masaki; Nabeshima, Tatsuya","Synthesis of figure-of-eight helical bisBODIPY macrocycles and their chiroptical properties.","Chemical communications (Cambridge, England)","2016","52","71","10727","10730","10.1039/c6cc05439k","","","0.71073","MoKα","","0.0737","0.0648","","","0.2141","0.2214","","","","","","1.746","","","","has coordinates","234335","2020-10-21","18:00:00",""
"7124902","13.411","0.003","20.416","0.005","21.32","0.005","75.181","0.003","83.052","0.004","88.03","0.003","5602","2","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","","","- C61.5 H46.5 B Cl4.5 N4 O6 -","- C61.5 H46.5 B Cl4.5 N4 O6 -","- C246 H186 B4 Cl18 N16 O24 -","4","2","","Saikawa, Makoto; Nakamura, Takashi; Uchida, Junji; Yamamura, Masaki; Nabeshima, Tatsuya","Synthesis of figure-of-eight helical bisBODIPY macrocycles and their chiroptical properties.","Chemical communications (Cambridge, England)","2016","52","71","10727","10730","10.1039/c6cc05439k","","","0.71073","MoKα","","0.1712","0.0912","","","0.2259","0.2635","","","","","","0.998","","","","has coordinates","234335","2020-10-21","18:00:00",""
"7124903","9.887","0.003","11.839","0.004","15.495","0.005","77.762","0.003","80.071","0.003","66.473","0.003","1617.3","0.9","120","2","120","2","","","","","","","","6","P 1","P 1","1","","","","- C40.5 H30 B Cl N4 O2 -","- C40.5 H30 B Cl N4 O2 -","- C81 H60 B2 Cl2 N8 O4 -","2","2","","Saikawa, Makoto; Nakamura, Takashi; Uchida, Junji; Yamamura, Masaki; Nabeshima, Tatsuya","Synthesis of figure-of-eight helical bisBODIPY macrocycles and their chiroptical properties.","Chemical communications (Cambridge, England)","2016","52","71","10727","10730","10.1039/c6cc05439k","","","0.71073","MoKα","","0.1166","0.0789","","","0.1516","0.1712","","","","","","1.185","","","","has coordinates,has disorder","234335","2020-10-21","18:00:00",""
"7124904","11.4322","0.0004","16.3704","0.0005","12.5755","0.0004","90","","100.994","0.002","90","","2310.31","0.13","120","2","120","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C60 H42 B2 N4 O6 -","- C60 H42 B2 N4 O6 -","- C120 H84 B4 N8 O12 -","2","1","","Saikawa, Makoto; Nakamura, Takashi; Uchida, Junji; Yamamura, Masaki; Nabeshima, Tatsuya","Synthesis of figure-of-eight helical bisBODIPY macrocycles and their chiroptical properties.","Chemical communications (Cambridge, England)","2016","52","71","10727","10730","10.1039/c6cc05439k","","","0.71073","MoKα","","0.0619","0.0443","","","0.1254","0.1431","","","","","","1.045","","","","has coordinates","234335","2020-10-21","18:00:00",""
"7124905","27.3653","0.0013","13.783","0.0007","31.7984","0.0014","90","","114.516","0.003","90","","10912.3","0.9","120","2","120","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C62 H44 B2 Cl6 N4 O6 -","- C62 H44 B2 Cl6 N4 O6 -","- C496 H352 B16 Cl48 N32 O48 -","8","2","","Saikawa, Makoto; Nakamura, Takashi; Uchida, Junji; Yamamura, Masaki; Nabeshima, Tatsuya","Synthesis of figure-of-eight helical bisBODIPY macrocycles and their chiroptical properties.","Chemical communications (Cambridge, England)","2016","52","71","10727","10730","10.1039/c6cc05439k","","","0.71073","MoKα","","0.1407","0.0847","","","0.2289","0.2564","","","","","","1.522","","","","has coordinates,has disorder","234335","2020-10-21","18:00:00",""
"7124906","11.5483","0.0008","15.6266","0.0011","19.1969","0.0012","90","","90","","90","","3464.3","0.4","123","2","123","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C33 H53 B K N3 O Si -","- C33 H53 B K N3 O Si -","- C132 H212 B4 K4 N12 O4 Si4 -","4","1","","Dawkins, Michael J. C.; Middleton, Ewart; Kefalidis, Christos E.; Dange, Deepak; Juckel, Martin M.; Maron, Laurent; Jones, Cameron","Two-coordinate terminal zinc hydride complexes: synthesis, structure and preliminary reactivity studies.","Chemical communications (Cambridge, England)","2016","52","69","10490","10492","10.1039/c6cc05445e","","","0.71073","MoKα","","0.1004","0.0739","","","0.2044","0.2236","","","","","","1.092","","","","has coordinates","234338","2020-10-21","18:00:00",""
"7124907","21.1923","0.0012","21.1923","0.0012","18.9615","0.0015","90","","90","","90","","8515.9","1","123","2","123","2","","","","","","","","6","P -4 21 c","P -4 2n","114","","","","- C47 H59 N O3 Si Zn -","- C47 H59 N O3 Si Zn -","- C376 H472 N8 O24 Si8 Zn8 -","8","1","","Dawkins, Michael J. C.; Middleton, Ewart; Kefalidis, Christos E.; Dange, Deepak; Juckel, Martin M.; Maron, Laurent; Jones, Cameron","Two-coordinate terminal zinc hydride complexes: synthesis, structure and preliminary reactivity studies.","Chemical communications (Cambridge, England)","2016","52","69","10490","10492","10.1039/c6cc05445e","","","0.71073","MoKα","","0.0908","0.0543","","","0.1238","0.1477","","","","","","1.027","","","","has coordinates","234338","2020-10-21","18:00:00",""
"7124908","15.203","0.003","11.974","0.002","19.965","0.004","90","","100.3","0.03","90","","3575.9","1.2","123","2","123","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C33 H53 B Br N3 O Si Zn -","- C33 H53 B Br N3 O Si Zn -","- C132 H212 B4 Br4 N12 O4 Si4 Zn4 -","4","1","","Dawkins, Michael J. C.; Middleton, Ewart; Kefalidis, Christos E.; Dange, Deepak; Juckel, Martin M.; Maron, Laurent; Jones, Cameron","Two-coordinate terminal zinc hydride complexes: synthesis, structure and preliminary reactivity studies.","Chemical communications (Cambridge, England)","2016","52","69","10490","10492","10.1039/c6cc05445e","","","0.71073","MoKα","","0.0516","0.0327","","","0.0676","0.0739","","","","","","1.009","","","","has coordinates","234338","2020-10-21","18:00:00",""
"7124909","13.39","0.003","14.317","0.003","20.067","0.004","80.79","0.03","79.66","0.03","71.54","0.03","3567.7","1.5","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C84 H98 N2 O2 Si2 Zn2 -","- C84 H98 N2 O2 Si2 Zn2 -","- C168 H196 N4 O4 Si4 Zn4 -","2","1","","Dawkins, Michael J. C.; Middleton, Ewart; Kefalidis, Christos E.; Dange, Deepak; Juckel, Martin M.; Maron, Laurent; Jones, Cameron","Two-coordinate terminal zinc hydride complexes: synthesis, structure and preliminary reactivity studies.","Chemical communications (Cambridge, England)","2016","52","69","10490","10492","10.1039/c6cc05445e","","","0.7109","Synchrotron","","0.0426","0.0385","","","0.0998","0.1023","","","","","","1.047","","","","has coordinates","234338","2020-10-21","18:00:00",""
"7124910","14.0869","0.0004","15.8901","0.0005","17.1769","0.0005","72.101","0.001","81.448","0.001","81.036","0.001","3593.29","0.19","123","2","123","2","","","","","","","","6","P -1","-P 1","2","","","","- C42 H48.98 Br0.02 N Si Zn -","- C42 H48.9793 Br0.02065 N Si Zn -","- C168 H195.917 Br0.0826 N4 Si4 Zn4 -","4","2","","Dawkins, Michael J. C.; Middleton, Ewart; Kefalidis, Christos E.; Dange, Deepak; Juckel, Martin M.; Maron, Laurent; Jones, Cameron","Two-coordinate terminal zinc hydride complexes: synthesis, structure and preliminary reactivity studies.","Chemical communications (Cambridge, England)","2016","52","69","10490","10492","10.1039/c6cc05445e","","","0.71073","MoKα","","0.046","0.0395","","","0.11","0.114","","","","","","1.05","","","","has coordinates,has disorder","234338","2020-10-21","18:00:00",""
"7124911","20.9835","0.001","20.9835","0.001","37.613","0.003","90","","90","","90","","16561.3","1.7","123","2","123","2","","","","","","","","7","I 41/a :2","-I 4ad","88","","","","- C45 H54 Br N O3 Si Zn -","- C45 H54 Br N O3 Si Zn -","- C720 H864 Br16 N16 O48 Si16 Zn16 -","16","1","","Dawkins, Michael J. C.; Middleton, Ewart; Kefalidis, Christos E.; Dange, Deepak; Juckel, Martin M.; Maron, Laurent; Jones, Cameron","Two-coordinate terminal zinc hydride complexes: synthesis, structure and preliminary reactivity studies.","Chemical communications (Cambridge, England)","2016","52","69","10490","10492","10.1039/c6cc05445e","","","0.71073","MoKα","","0.112","0.0597","","","0.1136","0.1364","","","","","","1.023","","","","has coordinates","234338","2020-10-21","18:00:00",""
"7124912","27.289","0.006","12.855","0.003","28.084","0.006","90","","90","","90","","9852","4","100","2","100","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C55.75 H62 N O2 Si Zn -","- C55.75 H62 N O2 Si Zn -","- C446 H496 N8 O16 Si8 Zn8 -","8","2","","Dawkins, Michael J. C.; Middleton, Ewart; Kefalidis, Christos E.; Dange, Deepak; Juckel, Martin M.; Maron, Laurent; Jones, Cameron","Two-coordinate terminal zinc hydride complexes: synthesis, structure and preliminary reactivity studies.","Chemical communications (Cambridge, England)","2016","52","69","10490","10492","10.1039/c6cc05445e","","","0.7109","Synchrotron","","0.0785","0.0543","","","0.125","0.1377","","","","","","1.034","","","","has coordinates,has disorder","234338","2020-10-21","18:00:00",""
"7124913","18.699","0.004","10.648","0.002","37.755","0.008","90","","90","","90","","7517","3","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C44 H53 N Si Zn -","- C44 H53 N Si Zn -","- C352 H424 N8 Si8 Zn8 -","8","1","","Dawkins, Michael J. C.; Middleton, Ewart; Kefalidis, Christos E.; Dange, Deepak; Juckel, Martin M.; Maron, Laurent; Jones, Cameron","Two-coordinate terminal zinc hydride complexes: synthesis, structure and preliminary reactivity studies.","Chemical communications (Cambridge, England)","2016","52","69","10490","10492","10.1039/c6cc05445e","","","0.7109","Synchrotron","","0.102","0.0711","","","0.1865","0.2061","","","","","","1.06","","","","has coordinates,has disorder","234338","2020-10-21","18:00:00",""
"7124914","9.9787","0.0014","11.6997","0.0014","14.992","0.002","88.8","0.003","85.337","0.004","72.292","0.003","1661.8","0.4","123","2","123","2","","","","","","","","5","P -1","-P 1","2","","","","- C38 H41 N Si Zn -","- C38 H41 N Si Zn -","- C76 H82 N2 Si2 Zn2 -","2","1","","Dawkins, Michael J. C.; Middleton, Ewart; Kefalidis, Christos E.; Dange, Deepak; Juckel, Martin M.; Maron, Laurent; Jones, Cameron","Two-coordinate terminal zinc hydride complexes: synthesis, structure and preliminary reactivity studies.","Chemical communications (Cambridge, England)","2016","52","69","10490","10492","10.1039/c6cc05445e","","","0.71073","MoKα","","0.1237","0.065","","","0.1462","0.1691","","","","","","1.034","","","","has coordinates,has disorder","234338","2020-10-21","18:00:00",""
"7124915","8.1067","0.0003","15.997","0.0007","18.8373","0.0007","90","","99.636","0.004","90","","2408.41","0.17","293","2","293.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H23 Br N2 O2 -","- C28 H23 Br N2 O2 -","- C112 H92 Br4 N8 O8 -","4","1","","Zhou, Xiaorong; Peng, Zhixing; Zhao, Hongyang; Zhang, Zhiyin; Lu, Ping; Wang, Yanguang","Rh-Catalyzed annulations of N-methoxybenzamides with ketenimines: synthesis of 3-aminoisoindolinones and 3-diarylmethyleneisoindolinones with strong aggregation induced emission properties.","Chemical communications (Cambridge, England)","2016","52","70","10676","10679","10.1039/c6cc05456k","","","1.54184","CuKα","","0.1332","0.1289","","","0.394","0.3992","","","","","","1.839","","","","has coordinates","234341","2020-10-21","18:00:00",""
"7124916","13.2048","0.0006","9.7962","0.0004","36.3","0.002","90","","90.681","0.005","90","","4695.3","0.4","170.2","","170.2","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C32 H23 N O -","- C32 H23 N O -","- C256 H184 N8 O8 -","8","2","","Zhou, Xiaorong; Peng, Zhixing; Zhao, Hongyang; Zhang, Zhiyin; Lu, Ping; Wang, Yanguang","Rh-Catalyzed annulations of N-methoxybenzamides with ketenimines: synthesis of 3-aminoisoindolinones and 3-diarylmethyleneisoindolinones with strong aggregation induced emission properties.","Chemical communications (Cambridge, England)","2016","52","70","10676","10679","10.1039/c6cc05456k","","","0.71073","MoKα","","0.0724","0.0467","","","0.1016","0.1186","","","","","","1.033","","","","has coordinates","234341","2020-10-21","18:00:00",""
"7124917","9.7155","0.0005","11.1424","0.0006","33.67","0.002","90","","94.871","0.006","90","","3631.7","0.3","293","2","293.15","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C44 H31 N O -","- C44 H31 N O -","- C176 H124 N4 O4 -","4","1","","Zhou, Xiaorong; Peng, Zhixing; Zhao, Hongyang; Zhang, Zhiyin; Lu, Ping; Wang, Yanguang","Rh-Catalyzed annulations of N-methoxybenzamides with ketenimines: synthesis of 3-aminoisoindolinones and 3-diarylmethyleneisoindolinones with strong aggregation induced emission properties.","Chemical communications (Cambridge, England)","2016","52","70","10676","10679","10.1039/c6cc05456k","","","0.71073","MoKα","","0.1051","0.0676","","","0.1744","0.195","","","","","","1.048","","","","has coordinates","234341","2020-10-21","18:00:00",""
"7124918","10.4031","0.0006","11.9265","0.0007","11.9819","0.0007","64.8219","0.0016","75.0617","0.0017","82.2082","0.0017","1299.34","0.13","50","2","50","2","","","","","","","","6","P -1","-P 1","2","","","","- C42 H90 Cl4 N6 O2 Re -","- C42 H90 Cl4 N6 O2 Re -","- C42 H90 Cl4 N6 O2 Re -","1","0.5","","Feng, Xiaowen; Liu, Jun-Liang; Pedersen, Kasper S.; Nehrkorn, Joscha; Schnegg, Alexander; Holldack, Karsten; Bendix, Jesper; Sigrist, Marc; Mutka, Hannu; Samohvalov, Dumitru; Aguilà, David; Tong, Ming-Liang; Long, Jeffrey R.; Clérac, Rodolphe","Multifaceted magnetization dynamics in the mononuclear complex [Re<sup>IV</sup>Cl<sub>4</sub>(CN)<sub>2</sub>]<sup>2</sup>.","Chemical communications (Cambridge, England)","2016","52","87","12905","12908","10.1039/c6cc05473k","","","0.71073","MoKα","","0.0824","0.0624","","","0.1584","0.1708","","","","","","1.033","","","","has coordinates","234343","2020-10-21","18:00:00",""
"7124919","5.617","0.0011","7.3899","0.0016","14.156","0.003","75.267","0.013","80.383","0.012","88.88","0.013","560.1","0.2","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C13 H9 F3 N2 O -","- C13 H9 F3 N2 O -","- C26 H18 F6 N4 O2 -","2","1","","Ragupathi, Ayyakkannu; Sagadevan, Arunachalam; Lin, Chun-Cheng; Hwu, Jih-Ru; Hwang, Kuo Chu","Copper(i)-catalysed oxidative C-N coupling of 2-aminopyridine with terminal alkynes featuring a C[triple bond, length as m-dash]C bond cleavage promoted by visible light.","Chemical communications (Cambridge, England)","2016","52","79","11756","11759","10.1039/c6cc05506k","","","0.71073","MoKα","","0.1601","0.123","","","0.3629","0.4026","","","","","","1.378","","","","has coordinates","234345","2020-10-21","18:00:00",""
"7124920","7.662","0.005","13.433","0.009","13.883","0.01","90","","90","","90","","1428.9","1.7","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C5 H16 Cl5 N2 Sb -","- C5 H16 Cl5 N2 Sb -","- C20 H64 Cl20 N8 Sb4 -","4","1","","Mei, Guang-Quan; Zhang, Han-Yue; Liao, Wei-Qiang","A symmetry breaking phase transition-triggered high-temperature solid-state quadratic nonlinear optical switch coupled with a switchable dielectric constant in an organic-inorganic hybrid compound.","Chemical communications (Cambridge, England)","2016","52","74","11135","11138","10.1039/c6cc05512e","","","0.71073","MoKα","","0.0332","0.0295","","","0.0507","0.0516","","","","","","1.003","","","","has coordinates","234347","2020-10-21","18:00:00",""
"7124921","13.514","0.01","7.818","0.012","13.8","0.02","90","","90","","90","","1458","3","393","2","393","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C5 H16 Cl5 N2 Sb -","- C5 H16 Cl5 N2 Sb -","- C20 H64 Cl20 N8 Sb4 -","4","0.5","","Mei, Guang-Quan; Zhang, Han-Yue; Liao, Wei-Qiang","A symmetry breaking phase transition-triggered high-temperature solid-state quadratic nonlinear optical switch coupled with a switchable dielectric constant in an organic-inorganic hybrid compound.","Chemical communications (Cambridge, England)","2016","52","74","11135","11138","10.1039/c6cc05512e","","","0.71073","MoKα","","0.0859","0.0637","","","0.1308","0.1439","","","","","","1.037","","","","has coordinates","234347","2020-10-21","18:00:00",""
"7124922","11.09321","0.00015","22.0757","0.0003","28.1078","0.0004","90","","92.8099","0.0013","90","","6875.05","0.16","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Ti2-H","","- C70 H78 N2 O2 Ti2 -","- C70 H78 N2 O2 Ti2 -","- C280 H312 N8 O8 Ti8 -","4","1","","Liu, Cham-Chuen; Chan, Michael C. W.; Lo, Po-Kam; Lau, Kai-Chung; Yiu, Shek-Man","Multifaceted chelating μ-(η(3):η(3)-antifacial)-(cis-C4R2H2) coordination motif in binuclear complexes.","Chemical communications (Cambridge, England)","2016","52","74","11056","11059","10.1039/c6cc05535d","","","1.54178","CuKα","","0.0522","0.0461","","","0.1301","0.136","","","","","","1.055","","","","has coordinates,has disorder","234349","2020-10-21","18:00:00",""
"7124923","11.3506","0.0003","15.5365","0.0005","19.1544","0.0006","79.469","0.002","79.993","0.002","81.353","0.002","3245.81","0.17","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","Zr2-H","","- C72 H83 N2 O2.5 Zr2 -","- C72 H83 N2 O2.5 Zr2 -","- C144 H166 N4 O5 Zr4 -","2","1","","Liu, Cham-Chuen; Chan, Michael C. W.; Lo, Po-Kam; Lau, Kai-Chung; Yiu, Shek-Man","Multifaceted chelating μ-(η(3):η(3)-antifacial)-(cis-C4R2H2) coordination motif in binuclear complexes.","Chemical communications (Cambridge, England)","2016","52","74","11056","11059","10.1039/c6cc05535d","","","1.5418","CuKα","","0.0399","0.0377","","","0.1129","0.1149","","","","","","1.067","","","","has coordinates,has disorder","234349","2020-10-21","18:00:00",""
"7124924","14.6909","0.0003","16.2174","0.0003","27.5623","0.0006","90","","103.614","0.002","90","","6382.2","0.2","133","2","133","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Hf2-Me","","- C73.5 H85.5 Hf2 N2 O2 -","- C73.5 H85.5 Hf2 N2 O2 -","- C294 H342 Hf8 N8 O8 -","4","1","","Liu, Cham-Chuen; Chan, Michael C. W.; Lo, Po-Kam; Lau, Kai-Chung; Yiu, Shek-Man","Multifaceted chelating μ-(η(3):η(3)-antifacial)-(cis-C4R2H2) coordination motif in binuclear complexes.","Chemical communications (Cambridge, England)","2016","52","74","11056","11059","10.1039/c6cc05535d","","","1.54178","CuKα","","0.0272","0.0264","","","0.069","0.0694","","","","","","1.18","","","","has coordinates,has disorder","234349","2020-10-21","18:00:00",""
"7124925","15.1344","0.0009","20.6079","0.0013","21.8351","0.0012","90","","90.019","0.006","90","","6810.1","0.7","95","2","95","2","","","","","","","no","7","P 1 21/c 1","-P 2ybc","14","no","salt of triscandiumnitride endofullerene C80 with sodium cryptand cation","","- C211 H82 Cl5 N6 Na2 O12 Sc6 -","- C211 H82 Cl5 N6 Na2 O12 Sc6 -","- C422 H164 Cl10 N12 Na4 O24 Sc12 -","2","0.5","","Konarev, Dmitri V.; Zorina, Leokadiya V.; Khasanov, Salavat S.; Popov, Alexey A.; Otsuka, Akihiro; Yamochi, Hideki; Saito, Gunzi; Lyubovskaya, Rimma N.","A crystalline anionic complex of scandium nitride endometallofullerene: experimental observation of single-bonded (Sc3N@Ih-C80(-))2 dimers.","Chemical communications (Cambridge, England)","2016","52","71","10763","10766","10.1039/c6cc05550h","","","0.71073","MoKα","","0.2389","0.1401","","","0.3451","0.3943","","","","","","1.319","","","","has coordinates,has disorder","234351","2020-10-21","18:00:00",""
"7124926","13.8362","0.0007","15.0709","0.0008","20.3113","0.001","89.161","0.004","79.646","0.004","73.544","0.004","3992.8","0.4","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C67.5 H108 O13 S6 Zn4 -","- C67.5 H108 O13 S6 Zn4 -","- C135 H216 O26 S12 Zn8 -","2","1","","Kelly, Rory P.; Kazeminejad, Neda; Lamsfus, Carlos A.; Maron, Laurent; Roesky, Peter W.","Activation of SO<sub>2</sub> by [Zn(Cp*)<sub>2</sub>] and [(Cp*)Zn<sup>I</sup>-Zn<sup>I</sup>(Cp*)].","Chemical communications (Cambridge, England)","2016","52","89","13090","13093","10.1039/c6cc05638e","","","0.71073","MoKα","","0.1389","0.0903","","","0.217","0.2452","","","","","","0.958","","","","has coordinates,has disorder","234353","2020-10-21","18:00:00",""
"7124927","12.903","0.0008","15.8305","0.0008","13.4913","0.0009","90","","103.699","0.005","90","","2677.4","0.3","100","","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C16 H40 N4 O8 S3 Zn2 -","- C16 H40 N4 O8 S3 Zn2 -","- C64 H160 N16 O32 S12 Zn8 -","4","1","","Kelly, Rory P.; Kazeminejad, Neda; Lamsfus, Carlos A.; Maron, Laurent; Roesky, Peter W.","Activation of SO<sub>2</sub> by [Zn(Cp*)<sub>2</sub>] and [(Cp*)Zn<sup>I</sup>-Zn<sup>I</sup>(Cp*)].","Chemical communications (Cambridge, England)","2016","52","89","13090","13093","10.1039/c6cc05638e","","","0.71073","MoKα","","0.0529","0.0323","","","0.0547","0.0582","","","","","","0.836","","","","has coordinates,has disorder","234353","2020-10-21","18:00:00",""
"7124928","8.6037","0.0008","9.6242","0.0009","13.0214","0.0012","79.03","0.002","81.504","0.002","74.717","0.002","1015.65","0.16","296","2","296","2","","","","","","","","3","P -1","-P 1","2","","","","- C29 H20 O2 -","- C29 H20 O2 -","- C58 H40 O4 -","2","1","","Chen, Ling; Cui, Yu-Ming; Xu, Zheng; Cao, Jian; Zheng, Zhan-Jiang; Xu, Li-Wen","An efficient approach toward formation of polycyclic coumarin derivatives via carbocation-initiated [4+2] cycloaddition and atom-economical photo-irradiated cyclization.","Chemical communications (Cambridge, England)","2016","52","74","11131","11134","10.1039/c6cc05698a","","","0.71073","MoKα","","0.0619","0.0433","","","0.1124","0.125","","","","","","1.023","","","","has coordinates","234355","2020-10-21","18:00:00",""
"7124929","8.1218","0.0005","27.7422","0.0016","12.2315","0.0007","90","","95.062","0.002","90","","2745.2","0.3","298","2","298","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C17 H14 O4 -","- C17 H14 O4 -","- C136 H112 O32 -","8","2","","Ji, Wei; Liu, Guofeng; Wang, Fang; Zhu, Zhu; Feng, Chuanliang","Galactose-decorated light-responsive hydrogelator precursors for selectively killing cancer cells.","Chemical communications (Cambridge, England)","2016","52","85","12574","12577","10.1039/c6cc05707a","","","1.54178","CuKα","","0.0409","0.037","","","0.1032","0.1066","","","","","","1.015","","","","has coordinates","234356","2020-10-21","18:00:00",""
"7124930","9.6437","0.0004","11.6855","0.0005","12.1217","0.0006","87.115","0.002","71.784","0.002","82.973","0.002","1287.7","0.1","295","2","295","2","","","","","","","","4","P -1","-P 1","2","","","","- C29 H33 N3 O2 -","- C29 H33 N3 O2 -","- C58 H66 N6 O4 -","2","1","","Quinodoz, P.; Wright, K.; Drouillat, B.; David, O.; Marrot, J.; Couty, F.","Synthesis of homopropargylamines from 2-cyanoazetidines.","Chemical communications (Cambridge, England)","2016","52","65","10072","10075","10.1039/c6cc05713f","","","0.71073","MoKα","","0.0791","0.0511","","","0.1632","0.196","","","","","","1.106","","","","has coordinates","234358","2020-10-21","18:00:00",""
"7124931","20.325","0.004","11.622","0.002","8.52","0.0017","90","","90","","90","","2012.6","0.7","173","2","173","2","","","","","","","","2","P c a 21","P 2c -2ac","29","","","","- C28 H26 -","- C28 H26 -","- C112 H104 -","4","1","","Wang, Guohua; Chen, Chao; Peng, Jing","Copper-catalyzed intramolecular aryl-bicyclization of diynes with diaryliodonium salts via vinyl cations.","Chemical communications (Cambridge, England)","2016","52","67","10277","10280","10.1039/c6cc05735g","","","0.71073","MoKα","","","0.0547","","","0.1565","0.1625","","","","","","1.03","","","","has coordinates","234360","2020-10-21","18:00:00",""
"7124932","23.432","0.002","23.432","0.002","23.432","0.002","90","","90","","90","","12865.5","1.9","173","2","173","2","","","","","","","","6","I 2 3","I 2 2 3","197","","","","- C192 H240 Cl4 N36 Ni4 O16 -","- C192 H240 Cl4 N36 Ni4 O16 -","- C384 H480 Cl8 N72 Ni8 O32 -","2","0.0833333","","Xi, Sai-Fei; Bao, Ling-Yu; Lin, Jian-Guo; Liu, Qing-Zhu; Qiu, Ling; Zhang, Feng-Li; Wang, Yu-Xia; Ding, Zheng-Dong; Li, Ke; Gu, Zhi-Guo","Enantiomers of tetrahedral metal-organic cages: a new class of highly efficient G-quadruplex ligands with potential anticancer activities.","Chemical communications (Cambridge, England)","2016","52","67","10261","10264","10.1039/c6cc05743h","","","0.71073","MoKα","","0.1989","0.1512","","","0.3731","0.3992","","","","","","1.343","","","","has coordinates","234362","2020-10-21","18:00:00",""
"7124933","23.4359","0.0005","23.4359","0.0005","23.4359","0.0005","90","","90","","90","","12872","0.5","173","2","173","2","","","","","","","","6","I 2 3","I 2 2 3","197","","","","- C192 H240 Cl4 N36 Ni4 O16 -","- C192 H240 Cl4 N36 Ni1.32 O16 -","- C384 H480 Cl8 N72 Ni2.64 O32 -","2","0.0833333","","Xi, Sai-Fei; Bao, Ling-Yu; Lin, Jian-Guo; Liu, Qing-Zhu; Qiu, Ling; Zhang, Feng-Li; Wang, Yu-Xia; Ding, Zheng-Dong; Li, Ke; Gu, Zhi-Guo","Enantiomers of tetrahedral metal-organic cages: a new class of highly efficient G-quadruplex ligands with potential anticancer activities.","Chemical communications (Cambridge, England)","2016","52","67","10261","10264","10.1039/c6cc05743h","","","0.71073","MoKα","","0.1623","0.112","","","0.2942","0.3282","","","","","","1.131","","","","has coordinates,has disorder","234362","2020-10-21","18:00:00",""
"7124934","18.9274","0.0016","19.8289","0.0016","22.328","0.002","110.839","0.002","102.662","0.002","108.564","0.002","6881.7","1","173","2","173","2","","","","","","","","7","P 1","P 1","1","","","","- C204 H264 B6 F24 N36 Ni4 O12 -","- C204 H264 B6 F24 N36 Ni4 O12 -","- C204 H264 B6 F24 N36 Ni4 O12 -","1","1","","Xi, Sai-Fei; Bao, Ling-Yu; Lin, Jian-Guo; Liu, Qing-Zhu; Qiu, Ling; Zhang, Feng-Li; Wang, Yu-Xia; Ding, Zheng-Dong; Li, Ke; Gu, Zhi-Guo","Enantiomers of tetrahedral metal-organic cages: a new class of highly efficient G-quadruplex ligands with potential anticancer activities.","Chemical communications (Cambridge, England)","2016","52","67","10261","10264","10.1039/c6cc05743h","","","0.71073","MoKα","","0.1874","0.0932","","","0.1948","0.2168","","","","","","1.038","","","","has coordinates,has disorder","234362","2020-10-21","18:00:00",""
"7124935","39.2624","0.001","39.2624","0.001","39.2624","0.001","90","","90","","90","","60524","3","173","2","173","2","","","","","","","","6","F 41 3 2","F 4d 2 3","210","","","","- C240 H276 Cl4 N36 Ni4 O6 -","- C240 H276 Cl4 N36 Ni1.32 O6 -","- C1920 H2208 Cl32 N288 Ni10.56 O48 -","8","0.0833333","","Xi, Sai-Fei; Bao, Ling-Yu; Lin, Jian-Guo; Liu, Qing-Zhu; Qiu, Ling; Zhang, Feng-Li; Wang, Yu-Xia; Ding, Zheng-Dong; Li, Ke; Gu, Zhi-Guo","Enantiomers of tetrahedral metal-organic cages: a new class of highly efficient G-quadruplex ligands with potential anticancer activities.","Chemical communications (Cambridge, England)","2016","52","67","10261","10264","10.1039/c6cc05743h","","","0.71073","MoKα","","0.1229","0.0774","","","0.1898","0.2048","","","","","","1.126","","","","has coordinates,has disorder","234362","2020-10-21","18:00:00",""
"7124936","19.222","0.003","20.854","0.003","22.254","0.003","106.518","0.003","103.878","0.004","112.172","0.003","7289.5","1.9","173","2","173","2","","","","","","","","7","P 1","P 1","1","","","","- C241 H264 F3 N36 Ni4 O3 S -","- C241 H264 F3 N36 Ni4 O3 S -","- C241 H264 F3 N36 Ni4 O3 S -","1","1","","Xi, Sai-Fei; Bao, Ling-Yu; Lin, Jian-Guo; Liu, Qing-Zhu; Qiu, Ling; Zhang, Feng-Li; Wang, Yu-Xia; Ding, Zheng-Dong; Li, Ke; Gu, Zhi-Guo","Enantiomers of tetrahedral metal-organic cages: a new class of highly efficient G-quadruplex ligands with potential anticancer activities.","Chemical communications (Cambridge, England)","2016","52","67","10261","10264","10.1039/c6cc05743h","","","0.71073","MoKα","","0.182","0.101","","","0.2209","0.2438","","","","","","1.054","","","","has coordinates,has disorder","234362","2020-10-21","18:00:00",""
"7124937","12.4966","0.0006","9.7777","0.0004","22.6334","0.0012","90","","100.263","0.004","90","","2721.3","0.2","290.83","0.1","290.83","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C29 H28 F4 N2 O5 -","- C29 H28 F4 N2 O5 -","- C116 H112 F16 N8 O20 -","4","1","","Hua, Hui-Liang; Zhang, Bo-Sheng; He, Yu-Tao; Qiu, Yi-Feng; Hu, Jing-Yuan; Yang, Yu-Chen; Liang, Yong-Min","Copper-catalyzed difluoromethylation of propargylamide-substituted indoles: synthesis of mono- and bis-difluoromethylated indoloazepinone derivatives.","Chemical communications (Cambridge, England)","2016","52","68","10396","10399","10.1039/c6cc05745d","","x-ray","0.71073","MoKα","","0.105","0.0573","","","0.1308","0.1605","","","","","","1.027","","","","has coordinates","234365","2020-10-21","18:00:00",""
"7124938","12.2175","0.0002","15.8782","0.0003","22.0697","0.0004","90","","90","","90","","4281.34","0.13","291.48","0.1","291.48","0.1","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C24 H22 F2 N2 O3 -","- C24 H22 F2 N2 O3 -","- C192 H176 F16 N16 O24 -","8","1","","Hua, Hui-Liang; Zhang, Bo-Sheng; He, Yu-Tao; Qiu, Yi-Feng; Hu, Jing-Yuan; Yang, Yu-Chen; Liang, Yong-Min","Copper-catalyzed difluoromethylation of propargylamide-substituted indoles: synthesis of mono- and bis-difluoromethylated indoloazepinone derivatives.","Chemical communications (Cambridge, England)","2016","52","68","10396","10399","10.1039/c6cc05745d","","x-ray","1.54184","CuKα","","0.0618","0.0485","","","0.1263","0.1408","","","","","","1.026","","","","has coordinates","234365","2020-10-21","18:00:00",""
"7124939","12.8985","0.0011","14.8772","0.0011","27.961","0.003","90","","97.992","0.008","90","","5313.4","0.8","293.26","0.1","293.26","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C28 H25 Cl F4 N2 O5 -","- C28 H25 Cl F4 N2 O5 -","- C224 H200 Cl8 F32 N16 O40 -","8","2","","Hua, Hui-Liang; Zhang, Bo-Sheng; He, Yu-Tao; Qiu, Yi-Feng; Hu, Jing-Yuan; Yang, Yu-Chen; Liang, Yong-Min","Copper-catalyzed difluoromethylation of propargylamide-substituted indoles: synthesis of mono- and bis-difluoromethylated indoloazepinone derivatives.","Chemical communications (Cambridge, England)","2016","52","68","10396","10399","10.1039/c6cc05745d","","x-ray","0.71073","MoKα","","0.1698","0.0888","","","0.2027","0.2627","","","","","","1.041","","","","has coordinates","234365","2020-10-21","18:00:00",""
"7124940","8.118","0.007","16.336","0.013","8.515","0.006","90","","91.597","0.014","90","","1128.8","1.5","173","","173","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C29 H28 N2 O -","- C29 H28 N2 O -","- C58 H56 N4 O2 -","2","1","","Wilkie, Ross P.; Neal, Andrew R.; Johnston, Craig A.; Voute, Nicholas; Lancefield, Christopher S.; Stell, Matthew D.; Medda, Federico; Makiyi, Edward F.; Turner, Emma M.; Stephen Ojo, O.; Slawin, Alexandra M. Z.; Lebl, Tomas; Mullen, Peter; Harrison, David J.; Ireland, Chris M.; Westwood, Nicholas J.","Total synthesis of dehaloperophoramidine using a highly diastereoselective Hosomi-Sakurai reaction.","Chemical communications (Cambridge, England)","2016","52","71","10747","10750","10.1039/c6cc05747k","","","1.54187","CuKα","","0.0882","0.0637","","","0.1492","0.1777","","","","","","1.063","","","","has coordinates","234367","2020-10-21","18:00:00",""
"7124941","24.722","0.004","24.722","0.004","13.524","0.002","90","","90","","120","","7158","2","93","","93","","","","","","","","","4","R -3 :H","-R 3","148","","","","- C41 H38 N4 O2 -","- C41 H38 N4 O2 -","- C369 H342 N36 O18 -","9","0.5","","Wilkie, Ross P.; Neal, Andrew R.; Johnston, Craig A.; Voute, Nicholas; Lancefield, Christopher S.; Stell, Matthew D.; Medda, Federico; Makiyi, Edward F.; Turner, Emma M.; Stephen Ojo, O.; Slawin, Alexandra M. Z.; Lebl, Tomas; Mullen, Peter; Harrison, David J.; Ireland, Chris M.; Westwood, Nicholas J.","Total synthesis of dehaloperophoramidine using a highly diastereoselective Hosomi-Sakurai reaction.","Chemical communications (Cambridge, England)","2016","52","71","10747","10750","10.1039/c6cc05747k","","","0.71069","MoKα","","0.0735","0.0636","","","0.1746","0.1846","","","","","","1.051","","","","has coordinates","234367","2020-10-21","18:00:00",""
"7124942","6.691","0.005","29.96","0.02","12.952","0.012","90","","104.2","0.02","90","","2517","3","173","","173","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H27 B F4 N4 -","- C28 H27 B F4 N4 -","- C112 H108 B4 F16 N16 -","4","1","","Wilkie, Ross P.; Neal, Andrew R.; Johnston, Craig A.; Voute, Nicholas; Lancefield, Christopher S.; Stell, Matthew D.; Medda, Federico; Makiyi, Edward F.; Turner, Emma M.; Stephen Ojo, O.; Slawin, Alexandra M. Z.; Lebl, Tomas; Mullen, Peter; Harrison, David J.; Ireland, Chris M.; Westwood, Nicholas J.","Total synthesis of dehaloperophoramidine using a highly diastereoselective Hosomi-Sakurai reaction.","Chemical communications (Cambridge, England)","2016","52","71","10747","10750","10.1039/c6cc05747k","","","1.54187","CuKα","","0.2607","0.1742","","","0.4114","0.4607","","","","","","1.382","","","","has coordinates","234367","2020-10-21","18:00:00",""
"7124943","13.438","0.003","14.165","0.002","13.5796","0.0019","90","","93.657","0.003","90","","2579.6","0.8","125","","125","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C29 H31 N3 O S -","- C29 H31 N3 O S -","- C116 H124 N12 O4 S4 -","4","2","","Wilkie, Ross P.; Neal, Andrew R.; Johnston, Craig A.; Voute, Nicholas; Lancefield, Christopher S.; Stell, Matthew D.; Medda, Federico; Makiyi, Edward F.; Turner, Emma M.; Stephen Ojo, O.; Slawin, Alexandra M. Z.; Lebl, Tomas; Mullen, Peter; Harrison, David J.; Ireland, Chris M.; Westwood, Nicholas J.","Total synthesis of dehaloperophoramidine using a highly diastereoselective Hosomi-Sakurai reaction.","Chemical communications (Cambridge, England)","2016","52","71","10747","10750","10.1039/c6cc05747k","","","1.54187","CuKα","","0.0607","0.0594","","","0.1505","0.1522","","","","","","1.035","","","","has coordinates","234367","2020-10-21","18:00:00",""
"7124944","18.372","0.006","10.659","0.002","28.255","0.005","90","","100.193","0.01","90","","5446","2","100","2","100","","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C56 H82 N4 Na4 O6 -","- C56 H82 N4 Na4 O6 -","- C224 H328 N16 Na16 O24 -","4","1","","Lichtenberg, C.; Krummenacher, I.","Aminotroponiminates as tunable, redox-active ligands: reversible single electron transfer and reductive dimerisation.","Chemical communications (Cambridge, England)","2016","52","65","10044","10047","10.1039/c6cc05762d","","","0.71073","MoKα","","0.1371","0.0706","","","0.1264","0.1462","","","","","","1.026","","","","has coordinates,has disorder","234370","2020-10-21","18:00:00",""
"7124945","14.5396","0.0011","9.6307","0.0006","20.8295","0.0015","90","","109.316","0.008","90","","2752.5","0.4","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C25 H39 Co N6 O4 -","- C25 H39 Co N6 O4 -","- C100 H156 Co4 N24 O16 -","4","1","","Das, Debasree; Pattanayak, Santanu; Singh, Kundan K.; Garai, Bikash; Sen Gupta, Sayam","Electrocatalytic water oxidation by a molecular cobalt complex through a high valent cobalt oxo intermediate.","Chemical communications (Cambridge, England)","2016","52","79","11787","11790","10.1039/c6cc05773j","","","0.71073","MoKα","","0.1221","0.0773","","","0.2107","0.2855","","","","","","1.047","","","","has coordinates","234372","2020-10-21","18:00:00",""
"7124946","29.9091","0.0005","11.0908","0.0002","25.9834","0.0004","90","","108.075","0.002","90","","8193.8","0.3","150","2","150","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C167 H278 Al4 N8 O12 -","- C167 H278 Al4 N8 O12 -","- C334 H556 Al8 N16 O24 -","2","0.25","","McKeown, Paul; Davidson, Matthew G.; Kociok-Köhn, Gabriele; Jones, Matthew D.","Aluminium salalens vs. salans: ""Initiator Design"" for the isoselective polymerisation of rac-lactide.","Chemical communications (Cambridge, England)","2016","52","68","10431","10434","10.1039/c6cc05795k","","x-ray","1.54184","CuKα","","0.0399","0.0368","","","0.0989","0.1017","","","","","","1.021","","","","has coordinates,has disorder","234374","2020-10-21","18:00:00",""
"7124947","12.1388","0.0003","19.0837","0.0002","14.1406","0.0002","90","","102.663","0.002","90","","3196.04","0.1","150","2","150.01","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C33 H51 Al N2 O3 -","- C33 H51 Al N2 O3 -","- C132 H204 Al4 N8 O12 -","4","1","","McKeown, Paul; Davidson, Matthew G.; Kociok-Köhn, Gabriele; Jones, Matthew D.","Aluminium salalens vs. salans: ""Initiator Design"" for the isoselective polymerisation of rac-lactide.","Chemical communications (Cambridge, England)","2016","52","68","10431","10434","10.1039/c6cc05795k","","x-ray","1.54184","CuKα","","0.0367","0.0336","","","0.0865","0.0886","","","","","","1.039","","","","has coordinates","234374","2020-10-21","18:00:00",""
"7124948","13.8779","0.0012","13.002","0.0001","20.8532","0.0016","90","","98.2288","0.0008","90","","3724","0.4","150","2","150.01","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C38 H61 Al N2 O2 -","- C38 H61 Al N2 O2 -","- C152 H244 Al4 N8 O8 -","4","1","","McKeown, Paul; Davidson, Matthew G.; Kociok-Köhn, Gabriele; Jones, Matthew D.","Aluminium salalens vs. salans: ""Initiator Design"" for the isoselective polymerisation of rac-lactide.","Chemical communications (Cambridge, England)","2016","52","68","10431","10434","10.1039/c6cc05795k","","x-ray","1.54184","CuKα","","0.0431","0.0392","","","0.1036","0.107","","","","","","1.034","","","","has coordinates,has disorder","234374","2020-10-21","18:00:00",""
"7124949","10.9794","0.0003","14.2923","0.0004","15.1168","0.0005","115.692","0.003","100.605","0.003","102.864","0.002","1974.85","0.13","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C43 H61 Al N2 O3 -","- C43 H61 Al N2 O3 -","- C86 H122 Al2 N4 O6 -","2","1","","McKeown, Paul; Davidson, Matthew G.; Kociok-Köhn, Gabriele; Jones, Matthew D.","Aluminium salalens vs. salans: ""Initiator Design"" for the isoselective polymerisation of rac-lactide.","Chemical communications (Cambridge, England)","2016","52","68","10431","10434","10.1039/c6cc05795k","","x-ray","1.54184","CuKα","","0.0427","0.0395","","","0.1024","0.1051","","","","","","1.02","","","","has coordinates","234374","2020-10-21","18:00:00",""
"7124950","22.001","0.001","13.607","0.001","17.541","0.001","90","","126.91","0.01","90","","4198.8","0.7","200","2","200","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","Bromido-hapto5-cyclopentadienyltriphenylphosphinenitrosyl technetium(I)","","- C23 H20 Br N O P Tc -","- C23 H20 Br N O P Tc -","- C184 H160 Br8 N8 O8 P8 Tc8 -","8","1","","Ackermann, J.; Hagenbach, A.; Abram, U.","{Tc(NO)(Cp)(PPh3)}(+) - a novel technetium(i) core.","Chemical communications (Cambridge, England)","2016","52","67","10285","10288","10.1039/c6cc05811f","","","0.71073","MoKα","","0.0481","0.0413","","","0.0954","0.0978","","","","","","1.217","","","","has coordinates","234377","2020-10-21","18:00:00",""
"7124951","9.27","0.001","17.374","0.001","14.27","0.001","90","","100.29","0.01","90","","2261.3","0.3","100","2","100","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","[Tc(NO)(CO)(PPh3)]BF4","hapto5-cyclopentadienylcarbonyl triphenylphosphinenitrosyl technetium(I)","","- C24 H20 B F4 N O2 P Tc -","- C24 H20 B F4 N O2 P Tc -","- C96 H80 B4 F16 N4 O8 P4 Tc4 -","4","1","","Ackermann, J.; Hagenbach, A.; Abram, U.","{Tc(NO)(Cp)(PPh3)}(+) - a novel technetium(i) core.","Chemical communications (Cambridge, England)","2016","52","67","10285","10288","10.1039/c6cc05811f","","","0.71073","MoKα","","0.0362","0.0268","","","0.0622","0.0667","","","","","","1.044","","","","has coordinates","234377","2020-10-21","18:00:00",""
"7124952","9.179","0.001","13.937","0.001","10.048","0.007","90","","112.89","0.02","90","","1184.2","0.9","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","[Tc(NO)(Cp)(Ph)(PPh3)]","hapto5-cyclopentadienylphenyl triphenylphosphinenitrosyl technetium(I)","","- C29 H25 N O P Tc -","- C29 H25 N O P Tc -","- C58 H50 N2 O2 P2 Tc2 -","2","1","","Ackermann, J.; Hagenbach, A.; Abram, U.","{Tc(NO)(Cp)(PPh3)}(+) - a novel technetium(i) core.","Chemical communications (Cambridge, England)","2016","52","67","10285","10288","10.1039/c6cc05811f","","","0.71073","MoKα","","0.0144","0.0141","","","0.0358","0.0361","","","","","","0.714","","","","has coordinates","234377","2020-10-21","18:00:00",""
"7124953","12.551","0.001","14.394","0.001","44.488","0.004","90","","97.55","0.01","90","","7967.5","1.1","200","2","200","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","[Tc(NO)Br3(OPPh3)2]","Tribromidobistriphenylphosphine oxid nitrosyl technetium(II)","","- C36.5 H31 Br3 Cl N O3 P2 Tc -","- C36.5 H31 Br3 Cl N O3 P2 Tc -","- C292 H248 Br24 Cl8 N8 O24 P16 Tc8 -","8","2","","Ackermann, J.; Hagenbach, A.; Abram, U.","{Tc(NO)(Cp)(PPh3)}(+) - a novel technetium(i) core.","Chemical communications (Cambridge, England)","2016","52","67","10285","10288","10.1039/c6cc05811f","","","0.71073","MoKα","","0.177","0.0673","","","0.1388","0.1782","","","","","","0.867","","","","has coordinates,has disorder","234377","2020-10-21","18:00:00",""
"7124954","8.782","0.0001","10.8274","0.0002","26.0299","0.0004","90","","90","","90","","2475.08","0.07","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C25 H28 N2 O4 S -","- C25 H28 N2 O4 S -","- C100 H112 N8 O16 S4 -","4","1","","Rainoldi, G.; Faltracco, M.; Lo Presti, L.; Silvani, A.; Lesma, G.","Highly diastereoselective entry into chiral spirooxindole-based 4-methyleneazetidines via formal [2+2] annulation reaction.","Chemical communications (Cambridge, England)","2016","52","77","11575","11578","10.1039/c6cc05838h","","","0.71073","MoKα","","0.0457","0.035","","","0.0946","0.1013","","","","","","1.056","","","","has coordinates,has disorder","234379","2020-10-21","18:00:00",""
"7124955","18.5185","0.0005","18.5185","0.0005","19.1215","0.0011","90","","90","","120","","5678.9","0.4","173","2","173","2","","","","","","","","6","P 63/m m c","-P 6c 2c","194","","","","- C18 H12 Cu2 N0 O10 Si -","- C18 H12 Cu2 O10 Si -","- C108 H72 Cu12 O60 Si6 -","6","0.25","","Gao, Chao-Ying; Tian, Hong-Rui; Ai, Jing; Li, Lei-Jiao; Dang, Song; Lan, Ya-Qian; Sun, Zhong-Ming","A microporous Cu-MOF with optimized open metal sites and pore spaces for high gas storage and active chemical fixation of CO2.","Chemical communications (Cambridge, England)","2016","52","74","11147","11150","10.1039/c6cc05845k","","","0.71073","MoKα","","0.0561","0.0419","","","0.1199","0.1278","","","","","","0.996","","","","has coordinates","234381","2020-10-21","18:00:00",""
"7124956","9.7325","0.0002","9.7325","0.0002","8.2154","0.0001","90","","90","","90","","778.18","0.02","100","2","100","2","","","","","","","","7","P 4/n b m :2","-P 4a 2b","125","","","","- C8 H16 Cu F6 N4 O4 V -","- C8 H16 Cu F6 N4 O4 V -","- C16 H32 Cu2 F12 N8 O8 V2 -","2","0.125","","Manson, Jamie L.; Schlueter, John A.; Garrett, Kerry E.; Goddard, Paul A.; Lancaster, Tom; Möller, Johannes S; Blundell, Stephen J.; Steele, Andrew J.; Franke, Isabel; Pratt, Francis L.; Singleton, John; Bendix, Jesper; Lapidus, Saul H.; Uhlarz, Marc; Ayala-Valenzuela, Oscar; McDonald, Ross D.; Gurak, Mary; Baines, Christopher","Bimetallic MOFs (H<sub>3</sub>O)<sub>x</sub>[Cu(MF<sub>6</sub>)(pyrazine)<sub>2</sub>]·(4 - x)H<sub>2</sub>O (M = V<sup>4+</sup>, x = 0; M = Ga<sup>3+</sup>, x = 1): co-existence of ordered and disordered quantum spins in the V<sup>4+</sup> system.","Chemical communications (Cambridge, England)","2016","52","85","12653","12656","10.1039/c6cc05873f","","x-ray","0.71073","MoKα","","0.0256","0.022","","","0.066","0.0724","","","","","","0.816","","","","has coordinates","234384","2020-10-21","18:00:00",""
"7124957","9.7134","0.0002","9.7134","0.0002","8.2415","0.0001","90","","90","","90","","777.59","0.02","100","2","100","2","","","","","","","","7","P 4/n b m :2","-P 4a 2b","125","","","","- C8 H17 Cu F6 Ga N4 O4 -","- C8 H16 Cu F6 Ga N4 O4 -","- C16 H32 Cu2 F12 Ga2 N8 O8 -","2","0.125","","Manson, Jamie L.; Schlueter, John A.; Garrett, Kerry E.; Goddard, Paul A.; Lancaster, Tom; Möller, Johannes S; Blundell, Stephen J.; Steele, Andrew J.; Franke, Isabel; Pratt, Francis L.; Singleton, John; Bendix, Jesper; Lapidus, Saul H.; Uhlarz, Marc; Ayala-Valenzuela, Oscar; McDonald, Ross D.; Gurak, Mary; Baines, Christopher","Bimetallic MOFs (H<sub>3</sub>O)<sub>x</sub>[Cu(MF<sub>6</sub>)(pyrazine)<sub>2</sub>]·(4 - x)H<sub>2</sub>O (M = V<sup>4+</sup>, x = 0; M = Ga<sup>3+</sup>, x = 1): co-existence of ordered and disordered quantum spins in the V<sup>4+</sup> system.","Chemical communications (Cambridge, England)","2016","52","85","12653","12656","10.1039/c6cc05873f","","x-ray","0.71073","MoKα","","0.023","0.0203","","","0.0558","0.0575","","","","","","1.135","","","","has coordinates","234384","2020-10-21","18:00:00",""
"7124958","10.3006","0.0008","17.4826","0.0016","10.8631","0.0007","90","","92.484","0.006","90","","1954.4","0.3","294.59","0.1","294.59","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","4-benzyl-3-(2-methyl-1H-indol-3-yl)-3,4-dihydro-2H-benzo[b][1,4]oxazin-2-one","","- C24 H20 N2 O2 -","- C24 H20 N2 O2 -","- C96 H80 N8 O8 -","4","1","","Huo, Congde; Dong, Jie; Su, Yingpeng; Tang, Jing; Chen, Fengjuan","Iron-catalyzed oxidative sp<sup>3</sup> carbon-hydrogen bond functionalization of 3,4-dihydro-1,4-benzoxazin-2-ones.","Chemical communications (Cambridge, England)","2016","52","91","13341","13344","10.1039/c6cc05885j","","x-ray","0.71073","MoKα","","0.1924","0.0741","","","0.1469","0.2135","","","","","","1.01","","","","has coordinates","234386","2020-10-21","18:00:00",""
"7124959","9.5967","0.001","9.265","0.0008","10.1709","0.001","90","","102.244","0.003","90","","883.76","0.15","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C19 H22 N2 O2 S -","- C19 H22 N2 O2 S -","- C38 H44 N4 O4 S2 -","2","1","","Zhao, Quan-Qing; Hu, Xiao-Qiang; Yang, Meng-Nan; Chen, Jia-Rong; Xiao, Wen-Jing","A visible-light photocatalytic N-radical cascade of hydrazones for the synthesis of dihydropyrazole-fused benzosultams.","Chemical communications (Cambridge, England)","2016","52","86","12749","12752","10.1039/c6cc05897c","","","0.71073","MoKα","","0.076","0.0438","","","0.0767","0.0863","","","","","","1.026","","","","has coordinates","234388","2020-10-21","18:00:00",""
"7124960","9.31","0.0009","13.2449","0.0013","14.8906","0.0015","69.506","0.001","77.927","0.001","89.163","0.001","1678.5","0.3","100.15","","100.15","","","","","","","","","5","P -1","-P 1","2","","","","- C19 H20 N2 O2 S -","- C19 H20 N2 O2 S -","- C76 H80 N8 O8 S4 -","4","2","","Zhao, Quan-Qing; Hu, Xiao-Qiang; Yang, Meng-Nan; Chen, Jia-Rong; Xiao, Wen-Jing","A visible-light photocatalytic N-radical cascade of hydrazones for the synthesis of dihydropyrazole-fused benzosultams.","Chemical communications (Cambridge, England)","2016","52","86","12749","12752","10.1039/c6cc05897c","","","0.71073","MoKα","","0.0485","0.0413","","","0.112","0.1181","","","","","","1.036","","","","has coordinates,has disorder","234388","2020-10-21","18:00:00",""
"7124961","10.9254","0.0012","13.4449","0.0014","15.8457","0.0017","95.9","0.004","100.524","0.004","95.947","0.004","2258.4","0.4","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C104 H92 Br8 Cl2 N4 O -","- C104 H92 Br8 Cl2 N4 O -","- C104 H92 Br8 Cl2 N4 O -","1","0.5","","Krzeszewski, Maciej; Swider, Paweł; Dobrzycki, Łukasz; Cyrański, Michał K; Danikiewicz, Witold; Gryko, Daniel T.","The role of steric hindrance in the intramolecular oxidative aromatic coupling of pyrrolo[3,2-b]pyrroles.","Chemical communications (Cambridge, England)","2016","52","77","11539","11542","10.1039/c6cc05904j","","","1.54178","CuKα","","0.0719","0.0538","","","0.1334","0.1469","","","","","","1.045","","","","has coordinates,has disorder","234389","2020-10-21","18:00:00",""
"7124962","13.91699","0.00011","19.62321","0.00016","14.94628","0.00011","90","","94.7717","0.0007","90","","4067.62","0.06","100.01","0.1","100.01","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C46 H51 Ge N2 O P -","- C46 H51 Ge N2 O P -","- C184 H204 Ge4 N8 O4 P4 -","4","1","","Li, Zhongshu; Chen, Xiaodan; Li, Yaqi; Su, Cheng-Yong; Grützmacher, Hansjörg","N-Heterocyclic carbene phosphaketene adducts as precursors to carbene-phosphinidene adducts and a rearranged π-system.","Chemical communications (Cambridge, England)","2016","52","76","11343","11346","10.1039/c6cc05916c","","","1.54184","CuKα","","0.0269","0.0251","","","0.0664","0.0678","","","","","","1.04","","","","has coordinates","234391","2020-10-21","18:00:00",""
"7124963","9.4352","0.0003","12.6209","0.0007","17.8147","0.0008","85.36","0.004","78.369","0.003","76.089","0.003","2015.71","0.16","150.01","0.1","150.01","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C46 H51 N2 O P Si -","- C46 H51 N2 O P Si -","- C92 H102 N4 O2 P2 Si2 -","2","1","","Li, Zhongshu; Chen, Xiaodan; Li, Yaqi; Su, Cheng-Yong; Grützmacher, Hansjörg","N-Heterocyclic carbene phosphaketene adducts as precursors to carbene-phosphinidene adducts and a rearranged π-system.","Chemical communications (Cambridge, England)","2016","52","76","11343","11346","10.1039/c6cc05916c","","","1.54184","CuKα","","0.0534","0.051","","","0.1406","0.1445","","","","","","1.027","","","","has coordinates","234391","2020-10-21","18:00:00",""
"7124964","14.0166","0.0003","19.8309","0.0006","14.945","0.0004","90","","94.185","0.002","90","","4143.06","0.19","100","","100","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C46 H51 N2 O P Sn -","- C46 H51 N2 O P Sn -","- C184 H204 N8 O4 P4 Sn4 -","4","1","","Li, Zhongshu; Chen, Xiaodan; Li, Yaqi; Su, Cheng-Yong; Grützmacher, Hansjörg","N-Heterocyclic carbene phosphaketene adducts as precursors to carbene-phosphinidene adducts and a rearranged π-system.","Chemical communications (Cambridge, England)","2016","52","76","11343","11346","10.1039/c6cc05916c","","","0.71073","MoKα","","0.0595","0.0442","","","0.0796","0.0851","","","","","","1.086","","","","has coordinates","234391","2020-10-21","18:00:00",""
"7124965","10.64809","0.00019","11.6076","0.0002","19.4163","0.0003","91.4216","0.0014","92.8956","0.0014","110.289","0.0017","2245.77","0.07","292.34","0.1","292.34","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C49 H61 N2 O P Sn -","- C49 H61 N2 O P Sn -","- C98 H122 N4 O2 P2 Sn2 -","2","1","","Li, Zhongshu; Chen, Xiaodan; Li, Yaqi; Su, Cheng-Yong; Grützmacher, Hansjörg","N-Heterocyclic carbene phosphaketene adducts as precursors to carbene-phosphinidene adducts and a rearranged π-system.","Chemical communications (Cambridge, England)","2016","52","76","11343","11346","10.1039/c6cc05916c","","","1.54184","CuKα","","0.0352","0.0341","","","0.094","0.0952","","","","","","1.034","","","","has coordinates,has disorder","234391","2020-10-21","18:00:00",""
"7124966","24.0628","0.0002","12.8152","0.00009","25.4632","0.0002","90","","94.7933","0.0007","90","","7824.62","0.11","150.01","0.1","150.01","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C45 H51 Ge N2 P -","- C45 H51 Ge N2 P -","- C360 H408 Ge8 N16 P8 -","8","2","","Li, Zhongshu; Chen, Xiaodan; Li, Yaqi; Su, Cheng-Yong; Grützmacher, Hansjörg","N-Heterocyclic carbene phosphaketene adducts as precursors to carbene-phosphinidene adducts and a rearranged π-system.","Chemical communications (Cambridge, England)","2016","52","76","11343","11346","10.1039/c6cc05916c","","","1.54184","CuKα","","0.0328","0.0275","","","0.0729","0.077","","","","","","1.008","","","","has coordinates","234391","2020-10-21","18:00:00",""
"7124967","13.0114","0.0003","17.0048","0.0005","18.7117","0.0005","111.389","0.003","94.838","0.002","110.638","0.003","3498.2","0.2","150","0.1","150","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C160 H164 N8 O1.5 P4 Sn4 -","- C160 H166 N8 O P4 Sn4 -","- C160 H166 N8 O P4 Sn4 -","1","0.5","","Li, Zhongshu; Chen, Xiaodan; Li, Yaqi; Su, Cheng-Yong; Grützmacher, Hansjörg","N-Heterocyclic carbene phosphaketene adducts as precursors to carbene-phosphinidene adducts and a rearranged π-system.","Chemical communications (Cambridge, England)","2016","52","76","11343","11346","10.1039/c6cc05916c","","","0.71073","MoKα","","0.0425","0.0326","","","0.0704","0.0761","","","","","","1.15","","","","has coordinates,has disorder","234391","2020-10-21","18:00:00",""
"7124968","11.998","0.006","14.423","0.006","21.871","0.009","90","","92.101","0.016","90","","3782","3","180","","180","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C51 H41 N7 O2 -","- C51 H41 N7 O2 -","- C204 H164 N28 O8 -","4","1","","Mosca, Lorenzo; Čejka, Jan; Dolenský, Bohumil; Havlík, Martin; Jakubek, Milan; Kaplánek, Robert; Král, Vladimír; Anzenbacher, Pavel","Bowl-shaped Tröger's bases and their recognition properties.","Chemical communications (Cambridge, England)","2016","52","70","10664","10667","10.1039/c6cc05923f","","","0.71073","MoKα","","0.1721","0.1093","","0.3448","0.2715","0.3448","","","","","","1.0686","","","","has coordinates","234394","2020-10-21","18:00:00",""
"7124969","21.3761","0.0008","12.4047","0.0004","21.2424","0.0007","90","","113.697","0.002","90","","5157.8","0.3","180","","180","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C69 H52 N8 O4 -","- C69 H52 N8 O4 -","- C276 H208 N32 O16 -","4","1","","Mosca, Lorenzo; Čejka, Jan; Dolenský, Bohumil; Havlík, Martin; Jakubek, Milan; Kaplánek, Robert; Král, Vladimír; Anzenbacher, Pavel","Bowl-shaped Tröger's bases and their recognition properties.","Chemical communications (Cambridge, England)","2016","52","70","10664","10667","10.1039/c6cc05923f","","","1.5418","CuKα","","0.1467","0.0931","","0.2669","0.2275","0.2669","","","","","","1.0109","","","","has coordinates","234394","2020-10-21","18:00:00",""
"7124970","17.9422","0.0014","18.3629","0.0016","20.9128","0.0013","107.088","0.007","100.483","0.006","116.305","0.008","5498.3","1","190","","190","","","","","","","","","4","P -1","-P 1","2","","","","- C46 H38 Cl2 N6 -","- C46 H38 Cl2 N6 -","- C276 H228 Cl12 N36 -","6","3","","Mosca, Lorenzo; Čejka, Jan; Dolenský, Bohumil; Havlík, Martin; Jakubek, Milan; Kaplánek, Robert; Král, Vladimír; Anzenbacher, Pavel","Bowl-shaped Tröger's bases and their recognition properties.","Chemical communications (Cambridge, England)","2016","52","70","10664","10667","10.1039/c6cc05923f","","","1.5418","CuKα","","0.1479","0.0951","","0.2544","0.1854","0.2526","","","","","","1.0114","","","","has coordinates,has disorder","234394","2020-10-21","18:00:00",""
"7124971","31.37","0.003","31.37","0.003","7.8467","0.0013","90","","90","","90","","7721.8","1.7","296","2","296","2","","","","","","","","5","I 41/a :2","-I 4ad","88","","","","- C17 H14 Ag N7 O4 -","- C17 H14 Ag N7 O4 -","- C272 H224 Ag16 N112 O64 -","16","1","","Li, Cheng-Peng; Wang, Si; Guo, Wei; Yan, Yan; Du, Miao","Dual structure evolution of a Ag(i) supramolecular framework triggered by anion-exchange: replacement of terminal ligand and switching of network interpenetration degree.","Chemical communications (Cambridge, England)","2016","52","74","11060","11063","10.1039/c6cc05938d","","","0.71073","MoKα","","0.0476","0.0379","","","0.1165","0.131","","","","","","1.094","","","","has coordinates","234397","2020-10-21","18:00:00",""
"7124972","31.065","0.003","31.065","0.003","8.0003","0.0014","90","","90","","90","","7720.6","1.7","296","2","296","2","","","","","","","","5","I 41/a :2","-I 4ad","88","","","","- C17 H15 Ag N7 O3.5 -","- C17 H15 Ag N7 O3.5 -","- C272 H240 Ag16 N112 O56 -","16","1","","Li, Cheng-Peng; Wang, Si; Guo, Wei; Yan, Yan; Du, Miao","Dual structure evolution of a Ag(i) supramolecular framework triggered by anion-exchange: replacement of terminal ligand and switching of network interpenetration degree.","Chemical communications (Cambridge, England)","2016","52","74","11060","11063","10.1039/c6cc05938d","","","0.71073","MoKα","","0.0423","0.0309","","","0.0853","0.0917","","","","","","1.051","","","","has coordinates","234397","2020-10-21","18:00:00",""
"7124973","22.8131","0.0006","22.8131","0.0006","7.7879","0.0004","90","","90","","90","","4053.1","0.3","296","2","296","2","","","","","","","","6","P 42/n :2","-P 4bc","86","","","","- C19 H14 Ag F3 N6 O3 -","- C19 H14 Ag F3 N6 O3 -","- C152 H112 Ag8 F24 N48 O24 -","8","1","","Li, Cheng-Peng; Wang, Si; Guo, Wei; Yan, Yan; Du, Miao","Dual structure evolution of a Ag(i) supramolecular framework triggered by anion-exchange: replacement of terminal ligand and switching of network interpenetration degree.","Chemical communications (Cambridge, England)","2016","52","74","11060","11063","10.1039/c6cc05938d","","","0.71073","MoKα","","0.0798","0.04","","","0.0876","0.111","","","","","","1.026","","","","has coordinates","234397","2020-10-21","18:00:00",""
"7124974","21.0286","0.0015","8.7204","0.0007","17.6555","0.0012","90","","99.237","0.005","90","","3195.6","0.4","173","2","173","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C29 H41 F6 Fe N4 O2 P -","- C29 H41 F6 Fe N4 O2 P -","- C116 H164 F24 Fe4 N16 O8 P4 -","4","1","","Kwon, Yubin M.; Delgado, Mayra; Zakharov, Lev N.; Seda, Takele; Gilbertson, John D.","Nitrite reduction by a pyridinediimine complex with a proton-responsive secondary coordination sphere.","Chemical communications (Cambridge, England)","2016","52","73","11016","11019","10.1039/c6cc05962g","","","1.54178","CuKα","","0.1132","0.0647","","","0.1394","0.1614","","","","","","1.008","","","","has coordinates","234400","2020-10-21","18:00:00",""
"7124975","9.6385","0.0009","13.7609","0.0013","23.41","0.002","90","","92.164","0.002","90","","3102.8","0.5","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C29.5 H41 Cl Fe N4 O2 -","- C29 H40 Fe N4 O2 -","- C116 H160 Fe4 N16 O8 -","4","1","","Kwon, Yubin M.; Delgado, Mayra; Zakharov, Lev N.; Seda, Takele; Gilbertson, John D.","Nitrite reduction by a pyridinediimine complex with a proton-responsive secondary coordination sphere.","Chemical communications (Cambridge, England)","2016","52","73","11016","11019","10.1039/c6cc05962g","","","0.71073","MoKα","","0.0662","0.0437","","","0.1051","0.1119","","","","","","1.071","","","","has coordinates","234400","2020-10-21","18:00:00",""
"7124976","10.0331","0.0009","13.3181","0.0012","14.1","0.0013","64.813","0.003","81.091","0.002","81.046","0.002","1675.9","0.3","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C29 H44 Br3 Fe N5 -","- C29 H44 Br3 Fe N5 -","- C58 H88 Br6 Fe2 N10 -","2","1","","Kwon, Yubin M.; Delgado, Mayra; Zakharov, Lev N.; Seda, Takele; Gilbertson, John D.","Nitrite reduction by a pyridinediimine complex with a proton-responsive secondary coordination sphere.","Chemical communications (Cambridge, England)","2016","52","73","11016","11019","10.1039/c6cc05962g","","","0.71073","MoKα","","0.0893","0.0403","","","0.0591","0.0696","","","","","","1.007","","","","has coordinates","234400","2020-10-21","18:00:00",""
"7124977","8.4876","0.0005","12.8367","0.0007","16.0181","0.0009","112.855","0.004","90.553","0.004","99.918","0.004","1578.52","0.16","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C27 H40 F6 Fe N6 O2 P -","- C27 H40 F6 Fe N6 O2 P -","- C54 H80 F12 Fe2 N12 O4 P2 -","2","1","","Kwon, Yubin M.; Delgado, Mayra; Zakharov, Lev N.; Seda, Takele; Gilbertson, John D.","Nitrite reduction by a pyridinediimine complex with a proton-responsive secondary coordination sphere.","Chemical communications (Cambridge, England)","2016","52","73","11016","11019","10.1039/c6cc05962g","","","1.54178","CuKα","","0.0799","0.061","","","0.173","0.1852","","","","","","1.01","","","","has coordinates","234400","2020-10-21","18:00:00",""
"7124978","9.4629","0.0002","11.35","0.0002","12.3473","0.0003","103.843","0.001","109.616","0.001","99.745","0.001","1166.87","0.04","296","2","296.15","","","","","","","","","6","P -1","-P 1","2","","","","- C25 H25 Cl Hg N2 O3 -","- C25 H25 Cl Hg N2 O3 -","- C50 H50 Cl2 Hg2 N4 O6 -","2","1","","Hong, Jung-Ho; Kurapati, Sathish; Jo, Yunhee; Shin, June-Ho; Cho, Dong-Gyu","Accelerated hydration reaction of an unsymmetrical tolan evidenced by a Hg(ii)-trapped macrocycle and its application as a Hg(ii)-selective indicator.","Chemical communications (Cambridge, England)","2016","52","71","10759","10762","10.1039/c6cc06012a","","","0.71073","MoKα","","0.0259","0.025","","","0.0589","0.0593","","","","","","1.065","","","","has coordinates","234402","2020-10-21","18:00:00",""
"7124979","40.623","0.002","41.321","0.002","51.868","0.003","90","","90","","90","","87065","8","116","2","116.15","","","","","","","","","7","F 2 2 2","F 2 2","22","","","","- C127 H139 Cd2 Cr4 N8 Na5 O42 -","- C127 H139 Cd2 Cr4 N8 Na5 O42 -","- C2032 H2224 Cd32 Cr64 N128 Na80 O672 -","16","1","","Xia, Qingchun; Liu, Yan; Li, Zijian; Gong, Wei; Cui, Yong","A Cr(salen)-based metal-organic framework as a versatile catalyst for efficient asymmetric transformations.","Chemical communications (Cambridge, England)","2016","52","89","13167","13170","10.1039/c6cc06019f","","","1.54178","CuKα","","0.1186","0.065","","","0.1767","0.2161","","","","","","1.01","","","","has coordinates,has disorder","234405","2020-10-21","18:00:00",""
"7124980","4.7242","0.0012","12.369","0.003","13.831","0.003","90","","82.466","0.008","90","","801.2","0.3","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C8 H8 N2 O4 -","- C8 H8 N2 O4 -","- C32 H32 N8 O16 -","4","1","","Kennedy, Stuart R.; Miquelot, Adeline; Aguilar, Juan A.; Steed, Jonathan W.","Trimeric cyclamers: solution aggregation and high Z' crystals based on guest structure and basicity.","Chemical communications (Cambridge, England)","2016","52","79","11846","11849","10.1039/c6cc06054d","","","0.71073","MoKα","","0.1789","0.1138","","","0.1711","0.1931","","","","","","1.146","","","","has coordinates","234408","2020-10-21","18:00:00",""
"7124981","22.309","0.0019","19.1478","0.0016","9.01","0.0008","90","","91.398","0.003","90","","3847.6","0.6","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C12 H16 N2 O5 -","- C12 H16 N2 O5 -","- C144 H192 N24 O60 -","12","3","","Kennedy, Stuart R.; Miquelot, Adeline; Aguilar, Juan A.; Steed, Jonathan W.","Trimeric cyclamers: solution aggregation and high Z' crystals based on guest structure and basicity.","Chemical communications (Cambridge, England)","2016","52","79","11846","11849","10.1039/c6cc06054d","","","0.71073","MoKα","","0.11","0.0605","","","0.1375","0.1622","","","","","","0.989","","","","has coordinates","234408","2020-10-21","18:00:00",""
"7124982","13.3689","0.0018","15.143","0.002","18.786","0.003","77.079","0.003","74.563","0.004","63.839","0.003","3265.5","0.8","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","","","- C10 H11 N3 O4 -","- C10 H11 N3 O4 -","- C120 H132 N36 O48 -","12","6","","Kennedy, Stuart R.; Miquelot, Adeline; Aguilar, Juan A.; Steed, Jonathan W.","Trimeric cyclamers: solution aggregation and high Z' crystals based on guest structure and basicity.","Chemical communications (Cambridge, England)","2016","52","79","11846","11849","10.1039/c6cc06054d","","","0.71073","MoKα","","0.1328","0.0892","","","0.2027","0.2243","","","","","","1.034","","","","has coordinates","234408","2020-10-21","18:00:00",""
"7124983","14.6759","0.0009","31.285","0.0019","15.9269","0.001","90","","99.324","0.002","90","","7216","0.8","120","2","120","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C11 H14 N2 O5 -","- C11 H14 N2 O5 -","- C264 H336 N48 O120 -","24","6","","Kennedy, Stuart R.; Miquelot, Adeline; Aguilar, Juan A.; Steed, Jonathan W.","Trimeric cyclamers: solution aggregation and high Z' crystals based on guest structure and basicity.","Chemical communications (Cambridge, England)","2016","52","79","11846","11849","10.1039/c6cc06054d","","","0.71073","MoKα","","0.1293","0.079","","","0.1799","0.211","","","","","","1.055","","","","has coordinates","234408","2020-10-21","18:00:00",""
"7124984","17.707","0.003","17.707","0.003","7.3732","0.001","90","","90","","90","","2311.8","0.6","296","2","296","2","","","","","","","","4","P -4 21 c","P -4 2n","114","","","","- C12.2 H11.5 N2.7 O5.4 -","- C8 H8 N2 O4 -","- C64 H64 N16 O32 -","8","1","","Kennedy, Stuart R.; Miquelot, Adeline; Aguilar, Juan A.; Steed, Jonathan W.","Trimeric cyclamers: solution aggregation and high Z' crystals based on guest structure and basicity.","Chemical communications (Cambridge, England)","2016","52","79","11846","11849","10.1039/c6cc06054d","","","0.6889","Synchrotron","","0.079","0.0749","","","0.1999","0.2027","","","","","","1.03","","","","has coordinates","234408","2020-10-21","18:00:00",""
"7124985","4.5668","0.0004","20.531","0.0016","20.9009","0.0016","76.149","0.002","88.228","0.003","88.156","0.003","1901.2","0.3","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","","","- C20 H22 N4 O4 -","- C20 H22 N4 O4 -","- C80 H88 N16 O16 -","4","2","","Kennedy, Stuart R.; Miquelot, Adeline; Aguilar, Juan A.; Steed, Jonathan W.","Trimeric cyclamers: solution aggregation and high Z' crystals based on guest structure and basicity.","Chemical communications (Cambridge, England)","2016","52","79","11846","11849","10.1039/c6cc06054d","","","0.71073","MoKα","","0.11","0.0653","","","0.1367","0.1557","","","","","","0.996","","","","has coordinates","234408","2020-10-21","18:00:00",""
"7124986","4.5426","0.0019","10.729","0.005","18.692","0.008","90","","90","","90","","911","0.7","153","2","153","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C8 H10 N2 O5 -","- C8 H10 N2 O5 -","- C32 H40 N8 O20 -","4","1","","Kennedy, Stuart R.; Miquelot, Adeline; Aguilar, Juan A.; Steed, Jonathan W.","Trimeric cyclamers: solution aggregation and high Z' crystals based on guest structure and basicity.","Chemical communications (Cambridge, England)","2016","52","79","11846","11849","10.1039/c6cc06054d","","","0.71073","MoKα","","0.0948","0.0555","","","0.1122","0.1259","","","","","","1.042","","","","has coordinates","234408","2020-10-21","18:00:00",""
"7124987","13.9426","0.0001","18.5793","0.0001","18.8456","0.0002","90","","146.18","","90","","2717.16","0.04","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H24 N4 O4 Pd2 -","- C28 H24 N4 O4 Pd2 -","- C112 H96 N16 O16 Pd8 -","4","1","","Monas, Andrea; Užarević, Krunoslav; Halasz, Ivan; Kulcsár, Marina Juribašić; Ćurić, Manda","Vapour-induced solid-state C-H bond activation for the clean synthesis of an organopalladium biothiol sensor.","Chemical communications (Cambridge, England)","2016","52","88","12960","12963","10.1039/c6cc06062e","","","1.54184","CuKα","","","0.0319","","","","0.0883","","","","","","1.04","","","","has coordinates","234410","2020-10-21","18:00:00",""
"7124988","15.7028","0.0003","12.1884","0.0003","27.7307","0.0009","90","","90","","90","","5307.4","0.2","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C28 H24 N4 O4 Pd2 -","- C28 H24 N4 O4 Pd2 -","- C224 H192 N32 O32 Pd16 -","8","1","","Monas, Andrea; Užarević, Krunoslav; Halasz, Ivan; Kulcsár, Marina Juribašić; Ćurić, Manda","Vapour-induced solid-state C-H bond activation for the clean synthesis of an organopalladium biothiol sensor.","Chemical communications (Cambridge, England)","2016","52","88","12960","12963","10.1039/c6cc06062e","","","0.71073","MoKα","","","0.0375","","","","0.0887","","","","","","1.018","","","","has coordinates","234410","2020-10-21","18:00:00",""
"7124989","26.14","0.004","8.4019","0.0012","18.4972","0.0013","90","","117.658","0.007","90","","3598.3","0.8","120","2","120","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C30 H36 B2 Br4 Fe N6 O6 -","- C30 H36 B2 Br4 Fe N6 O6 -","- C120 H144 B8 Br16 Fe4 N24 O24 -","4","0.5","","Cecot, Giacomo; Alameddine, Bassam; Prior, Stéphanie; Zorzi, Rita De; Geremia, Silvano; Scopelliti, Rosario; Fadaei, Farzaneh T.; Solari, Euro; Severin, Kay","Large heterometallic coordination cages with gyrobifastigium-like geometry.","Chemical communications (Cambridge, England)","2016","52","75","11243","11246","10.1039/c6cc06066h","","","0.71073","MoKα","","0.07","0.0442","","","0.0834","0.0931","","","","","","1.119","","","","has coordinates","234412","2020-10-21","18:00:00",""
"7124990","8.84673","0.00005","38.91135","0.00019","14.15673","0.00007","90","","105.312","0.0005","90","","4700.3","0.04","100.01","0.1","100.01","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C50 H52 B2 Fe N10 O6 -","- C50 H52 B2 Fe N10 O6 -","- C200 H208 B8 Fe4 N40 O24 -","4","1","","Cecot, Giacomo; Alameddine, Bassam; Prior, Stéphanie; Zorzi, Rita De; Geremia, Silvano; Scopelliti, Rosario; Fadaei, Farzaneh T.; Solari, Euro; Severin, Kay","Large heterometallic coordination cages with gyrobifastigium-like geometry.","Chemical communications (Cambridge, England)","2016","52","75","11243","11246","10.1039/c6cc06066h","","x-ray","1.54184","CuKα","","0.031","0.0299","","","0.0785","0.0794","","","","","","1.049","","","","has coordinates","234412","2020-10-21","18:00:00",""
"7124991","28.3614","0.0016","28.8276","0.0011","41.0379","0.0016","101.861","0.004","92.914","0.004","104.12","0.004","31663","3","139.99","0.14","139.99","0.14","","","","","","","","10","P -1","-P 1","2","","gc2_222","","- C408 H368 B8 F48 Fe4 N40 O72 P16 Pt8 S16 -","- C408 H368 B8 F48 Fe4 N40 O72 P16 Pt8 S16 -","- C816 H736 B16 F96 Fe8 N80 O144 P32 Pt16 S32 -","2","1","","Cecot, Giacomo; Alameddine, Bassam; Prior, Stéphanie; Zorzi, Rita De; Geremia, Silvano; Scopelliti, Rosario; Fadaei, Farzaneh T.; Solari, Euro; Severin, Kay","Large heterometallic coordination cages with gyrobifastigium-like geometry.","Chemical communications (Cambridge, England)","2016","52","75","11243","11246","10.1039/c6cc06066h","","","1.54178","CuKα","","0.2662","0.1667","","","0.359","0.4339","","","","","","1.022","","","","has coordinates","288248","2023-12-12","12:55:28",""
"7124992","14.7088","0.0004","12.8848","0.0003","18.6454","0.0006","90","","102.859","0.003","90","","3445.05","0.17","140","2","140","","","","","","","","","7","I 1 2/a 1","-I 2ya","15","","gc_ba1508","","- C24 H24 B2 Br4 Fe N6 O6 -","- C24 H24 B2 Br4 Fe N6 O6 -","- C96 H96 B8 Br16 Fe4 N24 O24 -","4","0.5","","Cecot, Giacomo; Alameddine, Bassam; Prior, Stéphanie; Zorzi, Rita De; Geremia, Silvano; Scopelliti, Rosario; Fadaei, Farzaneh T.; Solari, Euro; Severin, Kay","Large heterometallic coordination cages with gyrobifastigium-like geometry.","Chemical communications (Cambridge, England)","2016","52","75","11243","11246","10.1039/c6cc06066h","","","1.54178","CuKα","","0.0439","0.0429","","","0.1005","0.1011","","","","","","1.043","","","","has coordinates","234412","2020-10-21","18:00:00",""
"7124993","9.4866","0.0004","10.6979","0.0003","47.959","0.002","90","","94.425","0.005","90","","4852.7","0.3","140","0.1","140","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","gc2_203","","- C44 H40 B2 Fe N10 O6 -","- C44 H40 B2 Fe N10 O6 -","- C176 H160 B8 Fe4 N40 O24 -","4","1","","Cecot, Giacomo; Alameddine, Bassam; Prior, Stéphanie; Zorzi, Rita De; Geremia, Silvano; Scopelliti, Rosario; Fadaei, Farzaneh T.; Solari, Euro; Severin, Kay","Large heterometallic coordination cages with gyrobifastigium-like geometry.","Chemical communications (Cambridge, England)","2016","52","75","11243","11246","10.1039/c6cc06066h","","x-ray","1.54184","CuKα","","0.0869","0.0807","","","0.1791","0.1824","","","","","","1.082","","","","has coordinates,has disorder","234412","2020-10-21","18:00:00",""
"7124994","10.8278","0.0004","30.7175","0.0014","16.9665","0.0007","90","","102.171","0.002","90","","5516.3","0.4","296","2","296","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","70DPM6","","","- C95 H34 O2 -","- C95 H34 O2 -","- C380 H136 O8 -","4","1","","Vidal, Sara; Izquierdo, Marta; Law, Wai Kit; Jiang, Kui; Filippone, Salvatore; Perles, Josefina; Yan, He; Martín, Nazario","Photochemical site-selective synthesis of [70]methanofullerenes.","Chemical communications (Cambridge, England)","2016","52","86","12733","12736","10.1039/c6cc06072b","","","0.71073","MoKα","","0.3909","0.2609","","","0.6744","0.7616","","","","","","1.128","","","","has coordinates","234414","2020-10-21","18:00:00",""
"7124995","13.3928","0.0013","15.4263","0.0015","15.9182","0.0015","72.759","0.001","71.007","0.001","66.158","0.001","2792.2","0.5","140","","140","","","","","","","","","4","P -1","-P 1","2","","","","- C140 H136 K4 O11 -","- C140 H136 K4 O11 -","- C140 H136 K4 O11 -","1","0.5","","Sumy, Daniel P.; Finke, Aaron D.; Whalley, Adam C.","The reductive aromatization of tridecacyclene.","Chemical communications (Cambridge, England)","2016","52","83","12368","12371","10.1039/c6cc06078a","","x-ray","0.71073","MoKα","","0.0784","0.0524","","","0.1275","0.1424","","","","","","1.033","","","","has coordinates,has disorder","234415","2020-10-21","18:00:00",""
"7124996","16.6756","0.0014","37.752","0.003","12.3496","0.0011","90","","93.136","0.005","90","","7762.9","1.1","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C93 H128.56 O3 U -","- C93 H128.56 O3 U -","- C372 H514.24 O12 U4 -","4","1","","Hoerger, Christopher J.; La Pierre, Henry S.; Maron, Laurent; Scheurer, Andreas; Heinemann, Frank W.; Meyer, Karsten","Reductive disproportionation of nitric oxide mediated by low-valent uranium.","Chemical communications (Cambridge, England)","2016","52","72","10854","10857","10.1039/c6cc06095a","","","0.71073","MoKα","","0.0719","0.0433","","","0.0983","0.1085","","","","","","1.036","","","","has coordinates,has disorder","234417","2020-10-21","18:00:00",""
"7124997","21.4453","0.0013","13.7404","0.0011","25.313","0.002","90","","119.622","0.006","90","","6484.1","0.9","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C81 H105 O4 U -","- C81 H105 O4 U -","- C324 H420 O16 U4 -","4","1","","Hoerger, Christopher J.; La Pierre, Henry S.; Maron, Laurent; Scheurer, Andreas; Heinemann, Frank W.; Meyer, Karsten","Reductive disproportionation of nitric oxide mediated by low-valent uranium.","Chemical communications (Cambridge, England)","2016","52","72","10854","10857","10.1039/c6cc06095a","","","0.71073","MoKα","","0.0519","0.0288","","","0.0498","0.056","","","","","","1.119","","","","has coordinates","234417","2020-10-21","18:00:00",""
"7124998","10.1195","0.0006","29.385","0.002","7.4892","0.0004","90","","90","","90","","2227","0.2","100","","100","","","","","","","","","5","I b a 2","I 2 -2c","45","","gb_ER719","","- C9 H20 B N O2 -","- C9 H20 B N O2 -","- C72 H160 B8 N8 O16 -","8","1","","Romero, Erik A.; Peltier, Jesse L.; Jazzar, Rodolphe; Bertrand, Guy","Catalyst-free dehydrocoupling of amines, alcohols, and thiols with pinacol borane and 9-borabicyclononane (9-BBN).","Chemical communications (Cambridge, England)","2016","52","69","10563","10565","10.1039/c6cc06096j","","x-ray","0.71073","MoKα","","0.0893","0.0495","","","0.0905","0.1063","","","","","","1.005","","","","has coordinates","234420","2020-10-21","18:00:00",""
"7124999","10.9091","0.0003","8.4128","0.0002","20.1396","0.0005","90","","94.569","0.001","90","","1842.46","0.08","100","","100","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C24 H18 Br P -","- C24 H18 Br P -","- C96 H72 Br4 P4 -","4","1","","Kather, Ralf; Rychagova, Elena; Sanz Camacho, Paula; Ashbrook, Sharon E.; Woollins, J. Derek; Robben, Lars; Lork, Enno; Ketkov, Sergey; Beckmann, Jens","Increasing the Brønsted acidity of Ph2PO2H by the Lewis acid B(C6F5)3. Formation of an eight-membered boraphosphinate ring [Ph2POB(C6F5)2O]2.","Chemical communications (Cambridge, England)","2016","52","73","10992","10995","10.1039/c6cc06102h","","","0.71073","MoKα","","0.0671","0.0438","","","0.101","0.1135","","","","","","1.028","","","","has coordinates","234423","2020-10-21","18:00:00",""
"7125000","10.8919","0.0003","8.4344","0.0002","20.3175","0.0006","90","","94.242","0.001","90","","1861.39","0.09","100","","100","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C24 H18 As Br -","- C24 H18 As Br -","- C96 H72 As4 Br4 -","4","1","","Kather, Ralf; Rychagova, Elena; Sanz Camacho, Paula; Ashbrook, Sharon E.; Woollins, J. Derek; Robben, Lars; Lork, Enno; Ketkov, Sergey; Beckmann, Jens","Increasing the Brønsted acidity of Ph2PO2H by the Lewis acid B(C6F5)3. Formation of an eight-membered boraphosphinate ring [Ph2POB(C6F5)2O]2.","Chemical communications (Cambridge, England)","2016","52","73","10992","10995","10.1039/c6cc06102h","","","0.71073","MoKα","","0.042","0.0307","","","0.0759","0.0796","","","","","","1.057","","","","has coordinates","234423","2020-10-21","18:00:00",""
"7125001","10.9265","0.0003","8.5022","0.0002","20.5734","0.0006","90","","93.534","0.001","90","","1907.62","0.09","100","","100","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C24 H18 Br Sb -","- C24 H18 Br Sb -","- C96 H72 Br4 Sb4 -","4","1","","Kather, Ralf; Rychagova, Elena; Sanz Camacho, Paula; Ashbrook, Sharon E.; Woollins, J. Derek; Robben, Lars; Lork, Enno; Ketkov, Sergey; Beckmann, Jens","Increasing the Brønsted acidity of Ph2PO2H by the Lewis acid B(C6F5)3. Formation of an eight-membered boraphosphinate ring [Ph2POB(C6F5)2O]2.","Chemical communications (Cambridge, England)","2016","52","73","10992","10995","10.1039/c6cc06102h","","","0.71073","MoKα","","0.0384","0.0254","","","0.0503","0.0539","","","","","","1.058","","","","has coordinates","234423","2020-10-21","18:00:00",""
"7125002","12.0462","0.0004","8.7352","0.0002","25.0693","0.0007","90","","98.504","0.001","90","","2608.94","0.13","100","","100","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C33 H29 As Te -","- C33 H29 As Te -","- C132 H116 As4 Te4 -","4","1","","Kather, Ralf; Rychagova, Elena; Sanz Camacho, Paula; Ashbrook, Sharon E.; Woollins, J. Derek; Robben, Lars; Lork, Enno; Ketkov, Sergey; Beckmann, Jens","Increasing the Brønsted acidity of Ph2PO2H by the Lewis acid B(C6F5)3. Formation of an eight-membered boraphosphinate ring [Ph2POB(C6F5)2O]2.","Chemical communications (Cambridge, England)","2016","52","73","10992","10995","10.1039/c6cc06102h","","","0.71073","MoKα","","0.0302","0.0222","","","0.0452","0.0475","","","","","","1.039","","","","has coordinates","234423","2020-10-21","18:00:00",""
"7125003","8.7261","0.0002","11.7875","0.0003","14.189","0.0003","79.576","0.001","74.286","0.001","75.358","0.001","1349.35","0.05","100","","100","","","","","","","","","4","P -1","-P 1","2","","","","- C33 H29 Sb Te -","- C33 H29 Sb Te -","- C66 H58 Sb2 Te2 -","2","1","","Kather, Ralf; Rychagova, Elena; Sanz Camacho, Paula; Ashbrook, Sharon E.; Woollins, J. Derek; Robben, Lars; Lork, Enno; Ketkov, Sergey; Beckmann, Jens","Increasing the Brønsted acidity of Ph2PO2H by the Lewis acid B(C6F5)3. Formation of an eight-membered boraphosphinate ring [Ph2POB(C6F5)2O]2.","Chemical communications (Cambridge, England)","2016","52","73","10992","10995","10.1039/c6cc06102h","","","0.71073","MoKα","","0.0594","0.0307","","","0.0503","0.057","","","","","","1.025","","","","has coordinates","234423","2020-10-21","18:00:00",""
"7125004","8.7067","0.0003","12.5095","0.0005","22.0558","0.0008","90","","94.318","0.001","90","","2395.42","0.15","100","","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C28 H26 Cl O P Te -","- C28 H26 Cl O P Te -","- C112 H104 Cl4 O4 P4 Te4 -","4","1","","Kather, Ralf; Rychagova, Elena; Sanz Camacho, Paula; Ashbrook, Sharon E.; Woollins, J. Derek; Robben, Lars; Lork, Enno; Ketkov, Sergey; Beckmann, Jens","Increasing the Brønsted acidity of Ph2PO2H by the Lewis acid B(C6F5)3. Formation of an eight-membered boraphosphinate ring [Ph2POB(C6F5)2O]2.","Chemical communications (Cambridge, England)","2016","52","73","10992","10995","10.1039/c6cc06102h","","","0.71073","MoKα","","0.0628","0.0496","","","0.1059","0.1098","","","","","","1.217","","","","has coordinates","234423","2020-10-21","18:00:00",""
"7125005","8.5366","0.0017","11.678","0.002","12.597","0.003","89.5","0.03","87.76","0.03","85.74","0.03","1251.4","0.4","173","","173","","","","","","","","","5","P -1","-P 1","2","","","","- C25 H20 Cl3 P Te -","- C25 H20 Cl3 P Te -","- C50 H40 Cl6 P2 Te2 -","2","1","","Kather, Ralf; Rychagova, Elena; Sanz Camacho, Paula; Ashbrook, Sharon E.; Woollins, J. Derek; Robben, Lars; Lork, Enno; Ketkov, Sergey; Beckmann, Jens","Increasing the Brønsted acidity of Ph2PO2H by the Lewis acid B(C6F5)3. Formation of an eight-membered boraphosphinate ring [Ph2POB(C6F5)2O]2.","Chemical communications (Cambridge, England)","2016","52","73","10992","10995","10.1039/c6cc06102h","","","0.71073","MoKα","","0.0512","0.0452","","","0.1284","0.1333","","","","","","1.083","","","","has coordinates,has disorder","234423","2020-10-21","18:00:00",""
"7125006","11.7394","0.0003","12.5066","0.0003","14.3469","0.0003","91.146","0.001","101.003","0.001","117.065","0.001","1827.45","0.08","100","","100","","","","","","","","","4","P -1","-P 1","2","","","","- C48 H36 P2 Te -","- C48 H36 P2 Te -","- C96 H72 P4 Te2 -","2","1","","Kather, Ralf; Rychagova, Elena; Sanz Camacho, Paula; Ashbrook, Sharon E.; Woollins, J. Derek; Robben, Lars; Lork, Enno; Ketkov, Sergey; Beckmann, Jens","Increasing the Brønsted acidity of Ph2PO2H by the Lewis acid B(C6F5)3. Formation of an eight-membered boraphosphinate ring [Ph2POB(C6F5)2O]2.","Chemical communications (Cambridge, England)","2016","52","73","10992","10995","10.1039/c6cc06102h","","","0.71073","MoKα","","0.045","0.0309","","","0.0671","0.0718","","","","","","1.05","","","","has coordinates","234423","2020-10-21","18:00:00",""
"7125007","14.502","0.004","8.33","0.002","14.464","0.004","90","","91.826","0.005","90","","1746.4","0.8","93","","93","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H22 Cl P Te -","- C18 H22 Cl P Te -","- C72 H88 Cl4 P4 Te4 -","4","1","","Kather, Ralf; Rychagova, Elena; Sanz Camacho, Paula; Ashbrook, Sharon E.; Woollins, J. Derek; Robben, Lars; Lork, Enno; Ketkov, Sergey; Beckmann, Jens","Increasing the Brønsted acidity of Ph2PO2H by the Lewis acid B(C6F5)3. Formation of an eight-membered boraphosphinate ring [Ph2POB(C6F5)2O]2.","Chemical communications (Cambridge, England)","2016","52","73","10992","10995","10.1039/c6cc06102h","","","0.71075","MoKα","","","0.0871","","","","0.2343","","","","","","1.013","","","","has coordinates","234423","2020-10-21","18:00:00",""
"7125008","7.786","0.0008","13.9267","0.0014","16.4054","0.0018","90","","97.078","0.007","90","","1765.3","0.3","125","","125","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H22 Br P Te -","- C18 H22 Br P Te -","- C72 H88 Br4 P4 Te4 -","4","1","","Kather, Ralf; Rychagova, Elena; Sanz Camacho, Paula; Ashbrook, Sharon E.; Woollins, J. Derek; Robben, Lars; Lork, Enno; Ketkov, Sergey; Beckmann, Jens","Increasing the Brønsted acidity of Ph2PO2H by the Lewis acid B(C6F5)3. Formation of an eight-membered boraphosphinate ring [Ph2POB(C6F5)2O]2.","Chemical communications (Cambridge, England)","2016","52","73","10992","10995","10.1039/c6cc06102h","","","0.71075","MoKα","","","0.023","","","","0.0536","","","","","","1.037","","","","has coordinates","234423","2020-10-21","18:00:00",""
"7125009","7.9634","0.0012","14.047","0.002","16.871","0.003","90","","99.976","0.003","90","","1858.7","0.5","93","","93","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H22 I P Te -","- C18 H22 I P Te -","- C72 H88 I4 P4 Te4 -","4","1","","Kather, Ralf; Rychagova, Elena; Sanz Camacho, Paula; Ashbrook, Sharon E.; Woollins, J. Derek; Robben, Lars; Lork, Enno; Ketkov, Sergey; Beckmann, Jens","Increasing the Brønsted acidity of Ph2PO2H by the Lewis acid B(C6F5)3. Formation of an eight-membered boraphosphinate ring [Ph2POB(C6F5)2O]2.","Chemical communications (Cambridge, England)","2016","52","73","10992","10995","10.1039/c6cc06102h","","","0.71075","MoKα","","","0.0341","","","","0.1156","","","","","","1.013","","","","has coordinates","234423","2020-10-21","18:00:00",""
"7125010","22.509","0.004","11.4213","0.0018","22.101","0.004","90","","110.786","0.002","90","","5312","1.6","93","","93","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C38 H48 Cl4 I6 P2 Te3 -","- C38 H48 Cl4 I6 P2 Te3 -","- C152 H192 Cl16 I24 P8 Te12 -","4","0.5","","Kather, Ralf; Rychagova, Elena; Sanz Camacho, Paula; Ashbrook, Sharon E.; Woollins, J. Derek; Robben, Lars; Lork, Enno; Ketkov, Sergey; Beckmann, Jens","Increasing the Brønsted acidity of Ph2PO2H by the Lewis acid B(C6F5)3. Formation of an eight-membered boraphosphinate ring [Ph2POB(C6F5)2O]2.","Chemical communications (Cambridge, England)","2016","52","73","10992","10995","10.1039/c6cc06102h","","","0.71075","MoKα","","","0.0381","","","","0.1345","","","","","","1.099","","","","has coordinates","234423","2020-10-21","18:00:00",""
"7125011","9.8954","0.0008","15.5322","0.0015","14.5588","0.0014","90","","93.366","0.002","90","","2233.8","0.4","173","","173","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H22 I3 P Te -","- C18 H22 I3 P Te -","- C72 H88 I12 P4 Te4 -","4","1","","Kather, Ralf; Rychagova, Elena; Sanz Camacho, Paula; Ashbrook, Sharon E.; Woollins, J. Derek; Robben, Lars; Lork, Enno; Ketkov, Sergey; Beckmann, Jens","Increasing the Brønsted acidity of Ph2PO2H by the Lewis acid B(C6F5)3. Formation of an eight-membered boraphosphinate ring [Ph2POB(C6F5)2O]2.","Chemical communications (Cambridge, England)","2016","52","73","10992","10995","10.1039/c6cc06102h","","","0.71075","MoKα","","0.0174","0.0158","","","0.0407","0.0412","","","","","","1.033","","","","has coordinates","234423","2020-10-21","18:00:00",""
"7125012","8.5859","0.0003","13.5523","0.0004","20.3142","0.0006","90","","99.133","0.001","90","","2333.77","0.13","100","","100","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C25 H18 F3 O3 P S Te -","- C25 H18 F3 O3 P S Te -","- C100 H72 F12 O12 P4 S4 Te4 -","4","1","","Kather, Ralf; Rychagova, Elena; Sanz Camacho, Paula; Ashbrook, Sharon E.; Woollins, J. Derek; Robben, Lars; Lork, Enno; Ketkov, Sergey; Beckmann, Jens","Increasing the Brønsted acidity of Ph2PO2H by the Lewis acid B(C6F5)3. Formation of an eight-membered boraphosphinate ring [Ph2POB(C6F5)2O]2.","Chemical communications (Cambridge, England)","2016","52","73","10992","10995","10.1039/c6cc06102h","","","0.71073","MoKα","","0.0505","0.03","","","0.0552","0.0604","","","","","","1.031","","","","has coordinates","234423","2020-10-21","18:00:00",""
"7125013","8.6484","0.0003","13.5162","0.0004","20.5103","0.0006","90","","99.069","0.001","90","","2367.55","0.13","100","","100","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C25 H18 As F3 O3 S Te -","- C25 H18 As F3 O3 S Te -","- C100 H72 As4 F12 O12 S4 Te4 -","4","1","","Kather, Ralf; Rychagova, Elena; Sanz Camacho, Paula; Ashbrook, Sharon E.; Woollins, J. Derek; Robben, Lars; Lork, Enno; Ketkov, Sergey; Beckmann, Jens","Increasing the Brønsted acidity of Ph2PO2H by the Lewis acid B(C6F5)3. Formation of an eight-membered boraphosphinate ring [Ph2POB(C6F5)2O]2.","Chemical communications (Cambridge, England)","2016","52","73","10992","10995","10.1039/c6cc06102h","","","0.71073","MoKα","","0.0335","0.0237","","","0.0463","0.0496","","","","","","1.087","","","","has coordinates","234423","2020-10-21","18:00:00",""
"7125014","22.9864","0.0009","12.573","0.0005","20.1946","0.0008","90","","115.397","0.001","90","","5272.4","0.4","100","","100","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C28 H24 F3 O3 S Sb Te -","- C28 H24 F3 O3 S Sb Te -","- C224 H192 F24 O24 S8 Sb8 Te8 -","8","1","","Kather, Ralf; Rychagova, Elena; Sanz Camacho, Paula; Ashbrook, Sharon E.; Woollins, J. Derek; Robben, Lars; Lork, Enno; Ketkov, Sergey; Beckmann, Jens","Increasing the Brønsted acidity of Ph2PO2H by the Lewis acid B(C6F5)3. Formation of an eight-membered boraphosphinate ring [Ph2POB(C6F5)2O]2.","Chemical communications (Cambridge, England)","2016","52","73","10992","10995","10.1039/c6cc06102h","","","0.71073","MoKα","","0.0464","0.0313","","","0.0609","0.067","","","","","","1.07","","","","has coordinates,has disorder","234423","2020-10-21","18:00:00",""
"7125015","10.0891","0.0006","18.9802","0.0011","20.8742","0.0012","90","","93.041","0.002","90","","3991.6","0.4","100","","100","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C40 H26 B F15 Na O7 P -","- C40 H26 B F15 Na O7 P -","- C160 H104 B4 F60 Na4 O28 P4 -","4","1","","Kather, Ralf; Rychagova, Elena; Sanz Camacho, Paula; Ashbrook, Sharon E.; Woollins, J. Derek; Robben, Lars; Lork, Enno; Ketkov, Sergey; Beckmann, Jens","Increasing the Brønsted acidity of Ph2PO2H by the Lewis acid B(C6F5)3. Formation of an eight-membered boraphosphinate ring [Ph2POB(C6F5)2O]2.","Chemical communications (Cambridge, England)","2016","52","73","10992","10995","10.1039/c6cc06102h","","","0.71073","MoKα","","0.0638","0.0437","","","0.1022","0.1145","","","","","","1.058","","","","has coordinates,has disorder","234423","2020-10-21","18:00:00",""
"7125016","45.325","0.002","28.1243","0.0014","88.076","0.004","90","","91.544","0.002","90","","112233","9","173","2","173.02","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C440 H572 Au92 S44 -","- C430 H515 Au92 S44 -","- C3440 H4120 Au736 S352 -","8","1","","Liao, Lingwen; Chen, Jishi; Wang, Chengming; Zhuang, Shengli; Yan, Nan; Yao, Chuanhao; Xia, Nan; Li, Lingling; Bao, Xiaoli; Wu, Zhikun","Transition-sized Au<sub>92</sub> nanoparticle bridging non-fcc-structured gold nanoclusters and fcc-structured gold nanocrystals.","Chemical communications (Cambridge, England)","2016","52","81","12036","12039","10.1039/c6cc06108g","","","1.54178","CuKα","","0.2566","0.1859","","","0.4516","0.4904","","","","","","1.492","","","","has coordinates","234426","2020-10-21","18:00:00",""
"7125017","6.2192","0.0002","9.1506","0.0002","13.4968","0.0003","98.63","0.002","96.96","0.003","92.679","0.003","752.15","0.03","123.01","0.1","123.01","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C15 H20 N2 O2 S -","- C15 H20 N2 O2 S -","- C30 H40 N4 O4 S2 -","2","1","","Meyer, Andreas Uwe; Berger, Anna Lucia; König, Burkhard","Metal-free C-H sulfonamidation of pyrroles by visible light photoredox catalysis.","Chemical communications (Cambridge, England)","2016","52","72","10918","10921","10.1039/c6cc06111g","","x-ray","1.54184","CuKα","","0.0307","0.0299","","","0.0757","0.0764","","","","","","1.052","","","","has coordinates","234429","2020-10-21","18:00:00",""
"7125018","10.79743","0.00016","13.38129","0.0002","11.85342","0.00017","90","","96.5156","0.0012","90","","1701.56","0.04","123.02","0.1","123.02","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H24 N2 O2 S -","- C18 H24 N2 O2 S -","- C72 H96 N8 O8 S4 -","4","1","","Meyer, Andreas Uwe; Berger, Anna Lucia; König, Burkhard","Metal-free C-H sulfonamidation of pyrroles by visible light photoredox catalysis.","Chemical communications (Cambridge, England)","2016","52","72","10918","10921","10.1039/c6cc06111g","","x-ray","1.54184","CuKα","","0.0352","0.0329","","","0.0869","0.0894","","","","","","1.034","","","","has coordinates","234429","2020-10-21","18:00:00",""
"7125019","15.7933","0.0003","8.92836","0.00018","12.9799","0.0003","90","","110.209","0.003","90","","1717.6","0.07","123","0.1","123","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H20 N2 O2 S -","- C19 H20 N2 O2 S -","- C76 H80 N8 O8 S4 -","4","1","","Meyer, Andreas Uwe; Berger, Anna Lucia; König, Burkhard","Metal-free C-H sulfonamidation of pyrroles by visible light photoredox catalysis.","Chemical communications (Cambridge, England)","2016","52","72","10918","10921","10.1039/c6cc06111g","","x-ray","1.54184","CuKα","","0.0366","0.0341","","","0.0911","0.0932","","","","","","1.057","","","","has coordinates","234429","2020-10-21","18:00:00",""
"7125020","18.0343","0.0003","7.581","0.0001","23.5816","0.0003","90","","109.174","0.002","90","","3045.18","0.08","123.01","0.1","123.01","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C30 H40 N4 O4 S2 -","- C30 H40 N4 O4 S2 -","- C120 H160 N16 O16 S8 -","4","1","","Meyer, Andreas Uwe; Berger, Anna Lucia; König, Burkhard","Metal-free C-H sulfonamidation of pyrroles by visible light photoredox catalysis.","Chemical communications (Cambridge, England)","2016","52","72","10918","10921","10.1039/c6cc06111g","","x-ray","1.54184","CuKα","","0.0412","0.0379","","","0.1059","0.1086","","","","","","1.072","","","","has coordinates","234429","2020-10-21","18:00:00",""
"7125021","14.6626","0.0005","5.3944","0.00016","18.2386","0.0006","90","","113.435","0.004","90","","1323.6","0.08","123.01","0.1","123.01","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H16 N2 O2 S2 -","- C12 H16 N2 O2 S2 -","- C48 H64 N8 O8 S8 -","4","1","","Meyer, Andreas Uwe; Berger, Anna Lucia; König, Burkhard","Metal-free C-H sulfonamidation of pyrroles by visible light photoredox catalysis.","Chemical communications (Cambridge, England)","2016","52","72","10918","10921","10.1039/c6cc06111g","","x-ray","1.54184","CuKα","","0.0348","0.032","","","0.0836","0.086","","","","","","1.052","","","","has coordinates,has disorder","234429","2020-10-21","18:00:00",""
"7125022","7.08473","0.00014","16.7619","0.0004","22.085","0.0006","90","","90","","90","","2622.67","0.11","292.4","0.3","292.4","0.3","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C29 H21 Br N2 O4 -","- C29 H21 Br N2 O4 -","- C116 H84 Br4 N8 O16 -","4","1","","Wang, Kai-Kai; Wang, Pan; Ouyang, Qin; Du, Wei; Chen, Ying-Chun","Substrate-controlled switchable asymmetric annulations to access polyheterocyclic skeletons.","Chemical communications (Cambridge, England)","2016","52","74","11104","11107","10.1039/c6cc06148f","","x-ray","1.54184","CuKα","","0.0825","0.0783","","","0.2136","0.2211","","","","","","1.038","","","","has coordinates","234432","2020-10-21","18:00:00",""
"7125023","10.06732","0.00018","10.59058","0.00014","22.9703","0.0004","90","","90","","90","","2449.06","0.07","292.6","0.5","292.6","0.5","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C23 H17 N3 O2 -","- C23 H17 N3 O2 -","- C92 H68 N12 O8 -","4","1","","Wang, Kai-Kai; Wang, Pan; Ouyang, Qin; Du, Wei; Chen, Ying-Chun","Substrate-controlled switchable asymmetric annulations to access polyheterocyclic skeletons.","Chemical communications (Cambridge, England)","2016","52","74","11104","11107","10.1039/c6cc06148f","","x-ray","1.54184","CuKα","","0.0463","0.0439","","","0.1225","0.1268","","","","","","1.032","","","","has coordinates","234432","2020-10-21","18:00:00",""
"7125024","9.6481","0.0006","11.3861","0.0007","13.3598","0.0008","67.617","0.005","78.339","0.005","87.41","0.005","1328.23","0.15","123","2","123","2","","","","","","","","8","P -1","-P 1","2","[CrIII2TbIII2(OMe)2-x(OH)x(2-Cl-4,5-F-benz)4(mdea)2(NO3)2]?xMeOH","","","- C40 H38.4 Cl4 Cr2 F8 N4 O21.2 Tb2 -","- C40 H37.198 Cl4 Cr2 F8 N4 O21.198 Tb2 -","- C40 H37.198 Cl4 Cr2 F8 N4 O21.198 Tb2 -","1","0.5","","Langley, Stuart K.; Wielechowski, Daniel P.; Moubaraki, Boujemaa; Murray, Keith S.","Enhancing the magnetic blocking temperature and magnetic coercivity of {CrLn} single-molecule magnets via bridging ligand modification.","Chemical communications (Cambridge, England)","2016","52","73","10976","10979","10.1039/c6cc06152d","","","0.71073","MoKα","","0.0379","0.0284","","","0.0583","0.0645","","","","","","1.091","","","","has coordinates,has disorder","234435","2020-10-21","18:00:00",""
"7125025","9.543","0.0019","11.414","0.002","13.306","0.003","67.56","0.03","77.95","0.03","87.25","0.03","1309.3","0.6","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C40 H37.2 Cl4 Cr2 Dy2 F8 N4 O20.6 -","- C40 H36.6 Cl4 Cr2 Dy2 F8 N4 O20.598 -","- C40 H36.6 Cl4 Cr2 Dy2 F8 N4 O20.598 -","1","0.5","","Langley, Stuart K.; Wielechowski, Daniel P.; Moubaraki, Boujemaa; Murray, Keith S.","Enhancing the magnetic blocking temperature and magnetic coercivity of {CrLn} single-molecule magnets via bridging ligand modification.","Chemical communications (Cambridge, England)","2016","52","73","10976","10979","10.1039/c6cc06152d","","","0.71079","synchrotron","","0.0321","0.031","","","0.0818","0.0826","","","","","","1.068","","","","has coordinates,has disorder","234435","2020-10-21","18:00:00",""
"7125026","9.667","0.0019","11.331","0.002","13.316","0.003","67.54","0.03","78.27","0.03","87.69","0.03","1318.7","0.6","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C40 H37.67 Cl4 Cr2 F8 Ho2 N4 O20.83 -","- C40 H36.828 Cl4 Cr2 F8 Ho2 N4 O20.828 -","- C40 H36.828 Cl4 Cr2 F8 Ho2 N4 O20.828 -","1","0.5","","Langley, Stuart K.; Wielechowski, Daniel P.; Moubaraki, Boujemaa; Murray, Keith S.","Enhancing the magnetic blocking temperature and magnetic coercivity of {CrLn} single-molecule magnets via bridging ligand modification.","Chemical communications (Cambridge, England)","2016","52","73","10976","10979","10.1039/c6cc06152d","","","0.71079","synchrotron","","0.0327","0.0315","","","0.0804","0.0819","","","","","","1.059","","","","has coordinates,has disorder","234435","2020-10-21","18:00:00",""
"7125027","11.164","0.002","11.907","0.002","16.534","0.003","70.77","0.03","73.76","0.03","82.43","0.03","1990.5","0.8","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C70 H114 Cr2 Dy2 N4 O23 -","- C70 H113 Cr2 Dy2 N4 O23 -","- C70 H113 Cr2 Dy2 N4 O23 -","1","0.5","","Langley, Stuart K.; Wielechowski, Daniel P.; Moubaraki, Boujemaa; Murray, Keith S.","Enhancing the magnetic blocking temperature and magnetic coercivity of {CrLn} single-molecule magnets via bridging ligand modification.","Chemical communications (Cambridge, England)","2016","52","73","10976","10979","10.1039/c6cc06152d","","","0.71079","synchrotron","","0.0443","0.0432","","","0.1168","0.1177","","","","","","1.059","","","","has coordinates,has disorder","234435","2020-10-21","18:00:00",""
"7125028","11.7899","0.0006","13.5842","0.0004","13.728","0.0007","90","","104.058","0.005","90","","2132.78","0.17","294.96","0.1","294.96","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C12 H24 B10 O8 -","- C12 H24 B10 O8 -","- C48 H96 B40 O32 -","4","1","","Cao, Ke; Xu, Tao-Tao; Wu, Ji; Jiang, Linhai; Yang, Junxiao","Palladium catalyzed/silver tuned selective mono-/tetra-acetoxylation of o-carboranes via B-H activation.","Chemical communications (Cambridge, England)","2016","52","76","11446","11449","10.1039/c6cc06200h","","x-ray","0.71073","MoKα","","0.1371","0.0772","","","0.1995","0.2483","","","","","","1.047","","","","has coordinates,has disorder","234438","2020-10-21","18:00:00",""
"7125029","12.7205","0.0009","13.3454","0.0008","16.395","0.0011","98.928","0.005","92.479","0.005","90.262","0.005","2746.7","0.3","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C20 H32 B10 O8 -","- C20 H32 B10 O8 -","- C80 H128 B40 O32 -","4","2","","Cao, Ke; Xu, Tao-Tao; Wu, Ji; Jiang, Linhai; Yang, Junxiao","Palladium catalyzed/silver tuned selective mono-/tetra-acetoxylation of o-carboranes via B-H activation.","Chemical communications (Cambridge, England)","2016","52","76","11446","11449","10.1039/c6cc06200h","","x-ray","0.71","MoKα","","0.2397","0.1084","","","0.2601","0.3649","","","","","","1.031","","","","has coordinates,has disorder","234438","2020-10-21","18:00:00",""
"7125030","7.3484","0.0012","7.6219","0.001","12.005","0.003","83.262","0.014","88.589","0.016","88.161","0.012","667.2","0.2","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C6 H18 B10 O2 -","- C6 H18 B10 O2 -","- C12 H36 B20 O4 -","2","1","","Cao, Ke; Xu, Tao-Tao; Wu, Ji; Jiang, Linhai; Yang, Junxiao","Palladium catalyzed/silver tuned selective mono-/tetra-acetoxylation of o-carboranes via B-H activation.","Chemical communications (Cambridge, England)","2016","52","76","11446","11449","10.1039/c6cc06200h","","","0.71073","MoKα","","0.142","0.078","","","0.1828","0.2415","","","","","","1.057","","","","has coordinates","234438","2020-10-21","18:00:00",""
"7125031","7.7915","0.0004","21.7","0.0013","8.0127","0.0004","90","","94.885","0.006","90","","1349.83","0.13","150","0.1","150","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C6 H18 B10 O2 -","- C6 H18 B10 O2 -","- C24 H72 B40 O8 -","4","1","","Cao, Ke; Xu, Tao-Tao; Wu, Ji; Jiang, Linhai; Yang, Junxiao","Palladium catalyzed/silver tuned selective mono-/tetra-acetoxylation of o-carboranes via B-H activation.","Chemical communications (Cambridge, England)","2016","52","76","11446","11449","10.1039/c6cc06200h","","","0.71073","MoKα","","0.1019","0.0695","","","0.1743","0.2008","","","","","","1.041","","","","has coordinates,has disorder","234438","2020-10-21","18:00:00",""
"7125032","30.6243","0.0005","19.9078","0.0003","11.5863","0.00018","90","","102.813","0.0016","90","","6887.83","0.19","193","2","193","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C25 H28 F6 N4 O2 P Ru -","- C25 H28 F6 N4 O2 P Ru -","- C200 H224 F48 N32 O16 P8 Ru8 -","8","1","","Xie, Jianhui; Lo, Po-Kam; Lam, William W. Y.; Man, Wai-Lun; Ma, Li; Yiu, Shek-Man; Lau, Kai-Chung; Lau, Tai-Chu","Oxidation of hydroquinones by a (salen)ruthenium(vi) nitrido complex.","Chemical communications (Cambridge, England)","2016","52","76","11430","11433","10.1039/c6cc06231h","","","1.54178","CuKα","","0.0452","0.0407","","","0.1083","0.112","","","","","","1.046","","","","has coordinates","234440","2020-10-21","18:00:00",""
"7125033","8.048","0.003","9.69","0.003","25.348","0.008","90","","90","","90","","1976.8","1.1","298","2","298","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","(S)-4-benzyl-3-(4-bromophenyl)-4-chloro-4,5-dihydro-1H-pyrazol-5-one","","- C22 H16 Br Cl N2 O -","- C22 H16 Br Cl N2 O -","- C88 H64 Br4 Cl4 N8 O4 -","4","1","","Bao, Xiaoze; Wei, Shiqiang; Zou, Liwei; He, Yuli; Xue, Fuzhao; Qu, Jingping; Wang, Baomin","Asymmetric chlorination of 4-substituted pyrazolones catalyzed by natural cinchona alkaloid.","Chemical communications (Cambridge, England)","2016","52","76","11426","11429","10.1039/c6cc06236a","","","0.71073","MoKα","","0.0427","0.034","","","0.0822","0.0859","","","","","","1","","","","has coordinates","234442","2020-10-21","18:00:00",""
"7125034","16.155","0.003","6.7318","0.0013","19.587","0.004","90","","109.09","0.03","90","","2013","0.8","200","","200","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C5.5 H12 F6 N2 O0.5 P -","- C5.5 H12 F6 N2 O0.5 P -","- C44 H96 F48 N16 O4 P8 -","8","1","","Regnier, Vianney; Molton, Florian; Philouze, Christian; Martin, David","An air-persistent oxyallyl radical cation with simple di(methyl)amino substituents.","Chemical communications (Cambridge, England)","2016","52","76","11422","11425","10.1039/c6cc06260a","","x-ray","0.71073","MoKα","","0.061","0.0556","","","0.1491","0.1557","","","","","","1.036","","","","has coordinates,has disorder","234444","2020-10-21","18:00:00",""
"7125035","15.3015","0.0018","12.1976","0.001","9.6252","0.0008","90","","90","","90","","1796.5","0.3","293","2","293.15","","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C24 H17 N O -","- C24 H17 N O -","- C96 H68 N4 O4 -","4","1","","Liu, Ren-Rong; Xu, Teng-Fei; Wang, Yong-Gang; Xiang, Bin; Gao, Jian-Rong; Jia, Yi-Xia","Palladium-catalyzed dearomative arylalkynylation of indoles.","Chemical communications (Cambridge, England)","2016","52","94","13664","13667","10.1039/c6cc06262h","","","0.71073","MoKα","","0.0568","0.0376","","","0.0747","0.0824","","","","","","1.048","","","","has coordinates","234446","2020-10-21","18:00:00",""
"7125036","10.63","0.004","12.402","0.005","14.118","0.005","77.336","0.014","74.113","0.01","79.124","0.01","1730.1","1.1","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C31 H30 Cl3 F6 N6 O P Ru -","- C31 H30 Cl3 F6 N6 O P Ru -","- C62 H60 Cl6 F12 N12 O2 P2 Ru2 -","2","1","","Ng, Chee Koon; Wu, Jie; Hor, T. S. Andy; Luo, He-Kuan","A binary catalyst system of a cationic Ru-CNC pincer complex with an alkali metal salt for selective hydroboration of carbon dioxide.","Chemical communications (Cambridge, England)","2016","52","79","11842","11845","10.1039/c6cc06278d","","","0.71073","MoKα","","0.0539","0.0413","","","0.0949","0.0994","","","","","","1.036","","","","has coordinates","234450","2020-10-21","18:00:00",""
"7125037","16.6675","0.0005","11.1422","0.0003","38.2172","0.0012","90","","90","","90","","7097.4","0.4","100","2","100","2","","","","","","","","8","P b c a","-P 2ac 2ab","61","","","","- C31 H30 Cl4 F6 N5 O2 P Ru -","- C31 H30 Cl4 F6 N5 O2 P Ru -","- C248 H240 Cl32 F48 N40 O16 P8 Ru8 -","8","1","","Ng, Chee Koon; Wu, Jie; Hor, T. S. Andy; Luo, He-Kuan","A binary catalyst system of a cationic Ru-CNC pincer complex with an alkali metal salt for selective hydroboration of carbon dioxide.","Chemical communications (Cambridge, England)","2016","52","79","11842","11845","10.1039/c6cc06278d","","","0.71073","MoKα","","0.0973","0.063","","","0.1284","0.1407","","","","","","1.096","","","","has coordinates,has disorder","234450","2020-10-21","18:00:00",""
"7125038","13.4851","0.0005","8.5343","0.0004","25.6709","0.0012","90","","103.401","0.003","90","","2873.9","0.2","298","2","298","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C27 H32 Br N3 O6 S -","- C27 H32 Br N3 O6 S -","- C108 H128 Br4 N12 O24 S4 -","4","1","","Fuentes de Arriba, Ángel L; Simón, Luis; Rubio, Omayra H.; Monleón, Laura M; Alcázar, Victoria; Sanz, Francisca; Raposo, César A; Morán, Joaquín R","A bio-inspired enantioselective small-molecule artificial receptor for β adrenergic agonists and antagonists and its application for enantioselective extraction.","Chemical communications (Cambridge, England)","2016","52","85","12582","12585","10.1039/c6cc06281d","","","1.54178","CuKα","","0.0718","0.0572","","","0.1517","0.1635","","","","","","1.034","","","","has coordinates","234452","2020-10-21","18:00:00",""
"7125039","8.3467","0.0002","25.1787","0.001","22.297","0.0008","90","","92.223","0.003","90","","4682.4","0.3","298","2","298","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C92 H108 Br2 N10 O15 S2 -","- C92 H108 Br2 N10 O15 S2 -","- C184 H216 Br4 N20 O30 S4 -","2","1","","Fuentes de Arriba, Ángel L; Simón, Luis; Rubio, Omayra H.; Monleón, Laura M; Alcázar, Victoria; Sanz, Francisca; Raposo, César A; Morán, Joaquín R","A bio-inspired enantioselective small-molecule artificial receptor for β adrenergic agonists and antagonists and its application for enantioselective extraction.","Chemical communications (Cambridge, England)","2016","52","85","12582","12585","10.1039/c6cc06281d","","","1.54178","CuKα","","0.1013","0.0696","","","0.1723","0.1966","","","","","","1.029","","","","has coordinates","234452","2020-10-21","18:00:00",""
"7125040","21.28954","0.00073","14.55846","0.00052","8.10658","0.00033","90","","84.173","0.003","90","","2499.59","0.16","","","298","","","","","","","","","4","C 1 2/m 1","-C 2y","12","","CAU-22","CAU-22","- C44.16 N8 O76 Zr12 -","- C44.156 N8 O75.996 Zr12 -","- C44.156 N8 O75.996 Zr12 -","1","0.125","","Waitschat, S.; Reinsch, H.; Stock, N.","Water-based synthesis and characterisation of a new Zr-MOF with a unique inorganic building unit.","Chemical communications (Cambridge, England)","2016","52","86","12698","12701","10.1039/c6cc06287c","","","1.5406","","","","","","","","","","","","","","","","","","has coordinates","234454","2020-10-21","18:00:00",""
"7125041","7.336","0.0007","11.8041","0.0009","13.6969","0.0011","104.265","0.002","98.881","0.001","96.225","0.001","1122.36","0.16","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","","","- C28 H21 Br O3 -","- C28 H21 Br O3 -","- C56 H42 Br2 O6 -","2","1","","Wu, Ya-Nan; Xu, Ting; Fu, Rong; Wang, Nan-Nan; Hao, Wen-Juan; Wang, Shu-Liang; Li, Guigen; Tu, Shu-Jiang; Jiang, Bo","Dual rhodium/copper catalysis: synthesis of benzo[b]fluorenes and 2-naphthalenylmethanones via de-diazotized cycloadditions.","Chemical communications (Cambridge, England)","2016","52","80","11943","11946","10.1039/c6cc06320a","","","0.71073","MoKα","","0.0982","0.0445","","","0.0834","0.0898","","","","","","1.054","","","","has coordinates","234456","2020-10-21","18:00:00",""
"7125042","12.567","0.0005","13.2195","0.0005","14.1831","0.001","114.172","0.008","93.299","0.007","97.933","0.007","2112","0.2","123","2","123","2","","","","","","","","7","P -1","-P 1","2","","","","- C52 H42 B F2 Fe2 N3 O4 -","- C52 H42 B F2 Fe2 N3 O4 -","- C104 H84 B2 F4 Fe4 N6 O8 -","2","1","","Didukh, Natalia O.; Zatsikha, Yuriy V.; Rohde, Gregory T.; Blesener, Tanner S.; Yakubovskyi, Viktor P.; Kovtun, Yuriy P.; Nemykin, Victor N.","NIR absorbing diferrocene-containing meso-cyano-BODIPY with a UV-Vis-NIR spectrum remarkably close to that of magnesium tetracyanotetraferrocenyltetraazaporphyrin.","Chemical communications (Cambridge, England)","2016","52","77","11563","11566","10.1039/c6cc06344f","","","0.71075","MoKα","","0.0857","0.0491","","","0.1137","0.1608","","","","","","1.163","","","","has coordinates","234457","2020-10-21","18:00:00",""
"7125043","12.0262","0.0012","13.8263","0.0014","17.009","0.0017","90","","90","","90","","2828.2","0.5","100","2","100","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C29 H21 Br Cl3 F3 N2 O3 -","- C29 H21 Br Cl3 F3 N2 O3 -","- C116 H84 Br4 Cl12 F12 N8 O12 -","4","1","","Wang, Zhen-Hua; Wu, Zhi-Jun; Yue, Deng-Feng; Hu, Wen-Fei; Zhang, Xiao-Mei; Xu, Xiao-Ying; Yuan, Wei-Cheng","Organocatalytic asymmetric [3+2] cycloaddition of N-2,2,2-trifluoroethylisatin ketimines with 3-alkenyl-5-arylfuran-2(3H)-ones.","Chemical communications (Cambridge, England)","2016","52","78","11708","11711","10.1039/c6cc06367e","","","0.71073","MoKα","","0.0478","0.0359","","","0.0866","0.0902","","","","","","1.065","","","","has coordinates,has disorder","234459","2020-10-21","18:00:00",""
"7125044","9.6023","0.0005","12.8674","0.0007","15.9332","0.0009","96.095","0.003","105.256","0.003","104.605","0.003","1806.25","0.18","100","2","99.97","","","","","","","","","8","P -1","-P 1","2","","","","- C31 H30 Bi F6 Mn N3 O12 S2 -","- C31 H30 Bi F6 Mn N3 O12 S2 -","- C62 H60 Bi2 F12 Mn2 N6 O24 S4 -","2","1","","Pearson, Tyler J.; Fataftah, Majed S.; Freedman, Danna E.","Enhancement of magnetic anisotropy in a Mn-Bi heterobimetallic complex.","Chemical communications (Cambridge, England)","2016","52","76","11394","11397","10.1039/c6cc06369a","","","0.71073","MoKα","","0.0433","0.0335","","","0.0733","0.0759","","","","","","1.034","","","","has coordinates,has disorder","234461","2020-10-21","18:00:00",""
"7125045","22.7174","0.0012","6.5055","0.0003","25.667","0.0015","90","","94.802","0.005","90","","3780","0.3","173","2","173","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C23 H31 Br -","- C23 H31 Br -","- C184 H248 Br8 -","8","1","","Christopher Braddock, D.; Mahtey, Areeb; Rzepa, Henry S.; White, Andrew J. P.","Stable bromoallene oxides.","Chemical communications (Cambridge, England)","2016","52","75","11219","11222","10.1039/c6cc06395k","","","0.71073","MoKα","","0.0707","0.0484","","","0.0976","0.1055","","","","","","1.098","","","","has coordinates,has disorder","234463","2020-10-21","18:00:00",""
"7125046","10.8427","0.0007","6.8117","0.0004","21.255","0.0017","90","","94.932","0.006","90","","1564.02","0.19","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C17 H25 Br O -","- C17 H25 Br O -","- C68 H100 Br4 O4 -","4","1","","Christopher Braddock, D.; Mahtey, Areeb; Rzepa, Henry S.; White, Andrew J. P.","Stable bromoallene oxides.","Chemical communications (Cambridge, England)","2016","52","75","11219","11222","10.1039/c6cc06395k","","","0.71073","MoKα","","0.1118","0.0663","","","0.148","0.1709","","","","","","1.065","","","","has coordinates","234463","2020-10-21","18:00:00",""
"7125047","12.59","0.002","8.3056","0.0013","17.163","0.003","90","","97.211","0.004","90","","1780.5","0.5","","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1","","- C19 H24 N2 O5 -","- C19 H24 N2 O5 -","- C76 H96 N8 O20 -","4","1","","Cheng, Jian; Xu, Pan; Li, Weipeng; Cheng, Yixiang; Zhu, Chengjian","The functionalization of a cascade of C(sp(2))-H/C(sp(3))-H bonds: synthesis of fused dihydropyrazoles via visible-light photoredox catalysis.","Chemical communications (Cambridge, England)","2016","52","80","11901","11904","10.1039/c6cc06410h","","","","","","0.177","","","","","","","","","","","","","","","has coordinates","234465","2020-10-21","18:00:00",""
"7125048","6.4277","0.0003","10.233","0.0004","18.9139","0.0007","90","","94.954","0.004","90","","1239.41","0.09","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C48 H64 B4 N4 O8 -","- C48 H64 B4 N4 O8 -","- C48 H64 B4 N4 O8 -","1","0.25","","Barbero, Héctor; Ferrero, Sergio; Álvarez-Miguel, Lucía; Gómez-Iglesias, Patricia; Miguel, Daniel; Álvarez, Celedonio M","Affinity modulation of photoresponsive hosts for fullerenes: light-gated corannulene tweezers.","Chemical communications (Cambridge, England)","2016","52","88","12964","12967","10.1039/c6cc06445k","","x-ray","1.54184","CuKα","","0.0894","0.0647","","","0.1682","0.1883","","","","","","1.032","","","","has coordinates","234468","2020-10-21","18:00:00",""
"7125049","3.9995","0.0003","9.9251","0.0009","17.4542","0.0014","106.27","0.007","91.672","0.006","92.388","0.007","663.92","0.1","296","","296","","","","","","","","","3","P -1","-P 1","2","","","","- C40 H26 N2 -","- C40 H26 N2 -","- C40 H26 N2 -","1","0.5","","Barbero, Héctor; Ferrero, Sergio; Álvarez-Miguel, Lucía; Gómez-Iglesias, Patricia; Miguel, Daniel; Álvarez, Celedonio M","Affinity modulation of photoresponsive hosts for fullerenes: light-gated corannulene tweezers.","Chemical communications (Cambridge, England)","2016","52","88","12964","12967","10.1039/c6cc06445k","","x-ray","0.71073","MoKα","","0.1363","0.0569","","","0.0989","0.1387","","","","","","0.977","","","","has coordinates","234468","2020-10-21","18:00:00",""
"7125050","11.0512","0.0007","14.4682","0.0012","8.5519","0.0009","90","","91.007","0.007","90","","1367.2","0.2","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C40 H26 N2 -","- C40 H26 N2 -","- C80 H52 N4 -","2","0.5","","Barbero, Héctor; Ferrero, Sergio; Álvarez-Miguel, Lucía; Gómez-Iglesias, Patricia; Miguel, Daniel; Álvarez, Celedonio M","Affinity modulation of photoresponsive hosts for fullerenes: light-gated corannulene tweezers.","Chemical communications (Cambridge, England)","2016","52","88","12964","12967","10.1039/c6cc06445k","","x-ray","0.71073","MoKα","","0.2398","0.0681","","","0.1234","0.1838","","","","","","0.982","","","","has coordinates","234468","2020-10-21","18:00:00",""
"7125051","9.1494","0.0011","8.9306","0.0013","20.285","0.003","90","","92.501","0.011","90","","1655.9","0.4","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C52 H26 N2 -","- C52 H26 N2 -","- C104 H52 N4 -","2","0.5","","Barbero, Héctor; Ferrero, Sergio; Álvarez-Miguel, Lucía; Gómez-Iglesias, Patricia; Miguel, Daniel; Álvarez, Celedonio M","Affinity modulation of photoresponsive hosts for fullerenes: light-gated corannulene tweezers.","Chemical communications (Cambridge, England)","2016","52","88","12964","12967","10.1039/c6cc06445k","","x-ray","0.71073","MoKα","","0.3113","0.0828","","","0.1367","0.2137","","","","","","0.789","","","","has coordinates","234468","2020-10-21","18:00:00",""
"7125052","8.7409","0.0004","12.0555","0.0004","16.4217","0.0006","90","","90","","90","","1730.45","0.12","292.56","0.1","292.56","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","1,3-diene","","- C18 H19 Br O3 -","- C18 H19 Br O3 -","- C72 H76 Br4 O12 -","4","1","","Liu, Yangbin; Hu, Haipeng; Lin, Lili; Hao, Xiaoyu; Liu, Xiaohua; Feng, Xiaoming","Enantioselective construction of branched 1,3-dienyl substituted quaternary carbon stereocenters by asymmetric allenyl Claisen rearrangement.","Chemical communications (Cambridge, England)","2016","52","80","11963","11966","10.1039/c6cc06481g","","x-ray","1.54184","CuKα","","0.0568","0.0549","","","0.1414","0.1445","","","","","","1.079","","","","has coordinates","234470","2020-10-21","18:00:00",""
"7125053","7.5432","0.0002","12.7924","0.0003","17.2791","0.0005","90","","90","","90","","1667.36","0.08","293.1","0.2","293.1","0.2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","lactone","","- C16 H13 Br I O3 -","- C16 H13 Br I O3 -","- C64 H52 Br4 I4 O12 -","4","1","","Liu, Yangbin; Hu, Haipeng; Lin, Lili; Hao, Xiaoyu; Liu, Xiaohua; Feng, Xiaoming","Enantioselective construction of branched 1,3-dienyl substituted quaternary carbon stereocenters by asymmetric allenyl Claisen rearrangement.","Chemical communications (Cambridge, England)","2016","52","80","11963","11966","10.1039/c6cc06481g","","x-ray","1.54184","CuKα","","0.0658","0.0651","","","0.1829","0.1841","","","","","","1.07","","","","has coordinates","234470","2020-10-21","18:00:00",""
"7125054","43.611","0.009","8.549","0.0017","34.589","0.003","90","","103.59","0.03","90","","12535","4","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C46 H29.41 Ba3.99 Br0 N2 O20 P6 -","- C46 H29.414 Ba3.987 N2 O20 P6 -","- C368 H235.312 Ba31.896 N16 O160 P48 -","8","1","","Fard, Z. H.; Kalinovskyy, Y.; Spasyuk, D. M.; Blight, B. A.; Shimizu, G. K. H.","Alkaline-earth phosphonate MOFs with reversible hydration-dependent fluorescence.","Chemical communications (Cambridge, England)","2016","52","87","12865","12868","10.1039/c6cc06490f","","","0.68879","synchrotron","","0.0976","0.0873","","","0.2307","0.237","","","","","","1.053","","","","has coordinates,has disorder","234471","2020-10-21","18:00:00",""
"7125055","27.2441","0.0017","12.2005","0.0008","23.5008","0.0016","90","","103.574","0.002","90","","7593.3","0.9","150","2","150","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C52 H41 N3 -","- C52 H41 N3 -","- C416 H328 N24 -","8","1","","Norouzi-Arasi, Hassan; Pal, Amlan K.; Nag, Samik; Chartrand, Daniel; Hanan, Garry S.","Synthesis and photophysical properties of C<sub>3</sub>-symmetric tris(pyridyl)truxene scaffolds of Ru(ii) and Re(i).","Chemical communications (Cambridge, England)","2016","52","82","12159","12162","10.1039/c6cc06496e","","","1.54178","CuKα","","0.1272","0.0835","","","0.2104","0.2356","","","","","","0.968","","","","has coordinates","234473","2020-10-21","18:00:00",""
"7125056","13.4468","0.0003","13.4468","0.0003","53.0891","0.0012","90","","90","","120","","8313.3","0.3","150","2","150","2","","","","","","","synthesized chemically by authors","8","R -3 :H","-R 3","148","","[syn,syn,syn-5,10,15-tris(3-pyridyl)-10,15-dihydro-5H-diindeno[1,2-a;1',2'-c]fluorene]rhenium(I)tricarbonyl hexafluorophosphate","","- C68 H53 Cl60 F6 N3 O3 P Re -","- C48 H33 F6 N3 O3 P Re -","- C288 H198 F36 N18 O18 P6 Re6 -","6","0.333333","","Norouzi-Arasi, Hassan; Pal, Amlan K.; Nag, Samik; Chartrand, Daniel; Hanan, Garry S.","Synthesis and photophysical properties of C<sub>3</sub>-symmetric tris(pyridyl)truxene scaffolds of Ru(ii) and Re(i).","Chemical communications (Cambridge, England)","2016","52","82","12159","12162","10.1039/c6cc06496e","","","1.54178","CuKα","","0.0585","0.0531","","","0.1444","0.1479","","","","","","1.087","","","","has coordinates","234473","2020-10-21","18:00:00",""
"7125057","25.125","0.007","25.841","0.009","36.446","0.009","71.625","0.003","74.386","0.003","67.204","0.003","20408","10","90","2","90","2","","","","","","","","5","P -1","-P 1","2","","M20L8 octahedral capsule","","- C176 H532 N135 O209 Pd20 -","- C176 H248 N135 O209 Pd20 -","- C352 H496 N270 O418 Pd40 -","2","1","","Wang, Shitao; Sawada, Tomohisa; Fujita, Makoto","Capsule-bowl conversion triggered by a guest reaction.","Chemical communications (Cambridge, England)","2016","52","78","11653","11656","10.1039/c6cc06551a","","","0.71073","MoKα","","0.1861","0.1457","","","0.3654","0.3887","","","","","","1.147","","","","has coordinates,has disorder","234477","2020-10-21","18:00:00",""
"7125058","48.457","0.008","27.761","0.004","37.941","0.006","90","","108.713","0.005","90","","48341","13","120","2","120","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","(M20L8 octahedral capsule) - calix[4]arene complex","","- C204 H351 N130 O191 Pd20 -","- C204 H272 N130 O191 Pd20 -","- C816 H1088 N520 O764 Pd80 -","4","0.5","","Wang, Shitao; Sawada, Tomohisa; Fujita, Makoto","Capsule-bowl conversion triggered by a guest reaction.","Chemical communications (Cambridge, England)","2016","52","78","11653","11656","10.1039/c6cc06551a","","","0.71073","MoKα","","0.2464","0.18","","","0.4395","0.4958","","","","","","1.809","","","","has coordinates,has disorder","234477","2020-10-21","18:00:00",""
"7125059","46.603","0.006","25.734","0.003","37.303","0.005","90","","113.398","0.003","90","","41058","9","120","2","120","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","(M20L8 octahedral capsule) - (1-naphtylsilanetriol) complex","","- C196 H357 N118.5 O119.5 Pd20 Si3 -","- C196 H262 N118.5 O119.5 Pd20 Si3 -","- C784 H1048 N474 O478 Pd80 Si12 -","4","1","","Wang, Shitao; Sawada, Tomohisa; Fujita, Makoto","Capsule-bowl conversion triggered by a guest reaction.","Chemical communications (Cambridge, England)","2016","52","78","11653","11656","10.1039/c6cc06551a","","","0.71073","MoKα","","0.3022","0.2071","","","0.4916","0.5805","","","","","","1.836","","","","has coordinates,has disorder","234477","2020-10-21","18:00:00",""
"7125060","24.8071","0.0015","18.2127","0.0012","40.556","0.003","90","","96.472","0.002","90","","18207","2","120","2","120","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","(M8L4 bowl) - (cyclic tetrasiloxane) complex","","- C108 H166 N55 O59.5 Pd8 Si4 -","- C108 H132 N55 O59.5 Pd8 Si4 -","- C432 H528 N220 O238 Pd32 Si16 -","4","1","","Wang, Shitao; Sawada, Tomohisa; Fujita, Makoto","Capsule-bowl conversion triggered by a guest reaction.","Chemical communications (Cambridge, England)","2016","52","78","11653","11656","10.1039/c6cc06551a","","","0.71073","MoKα","","0.2592","0.1562","","","0.4073","0.4493","","","","","","1.952","","","","has coordinates,has disorder","234477","2020-10-21","18:00:00",""
"7125061","5.502","0.002","8.865","0.003","10.409","0.005","107.757","0.005","97.878","0.005","93.199","0.005","476.4","0.3","190","2","190.15","","","","","","","","","5","P -1","-P 1","2","5-fluorouracil, 2,2'-bpe","5-fluoro-1H,3H-pyrimidine-2,4-dione, 1,2-bis(2-pyridyl)ethylene","","- C20 H16 F2 N6 O4 -","- C20 H16 F2 N6 O4 -","- C20 H16 F2 N6 O4 -","1","0.5","","Duncan, Andrew J. E.; Dudovitz, Roxanne L.; Dudovitz, Shawna J.; Stojaković, Jelena; Mariappan, S. V. Santhana; MacGillivray, Leonard R.","Quantitative and regiocontrolled cross-photocycloaddition of the anticancer drug 5-fluorouracil achieved in a cocrystal.","Chemical communications (Cambridge, England)","2016","52","89","13109","13111","10.1039/c6cc06570h","","","0.71073","MoKα","","0.0708","0.0441","","","0.0982","0.1109","","","","","","1.015","","","","has coordinates","234480","2020-10-21","18:00:00",""
"7125062","7.8358","0.0008","12.4452","0.0012","15.629","0.0015","98.513","0.005","102.02","0.005","101.749","0.005","1430.3","0.2","296","2","296.15","","","","","","","","","5","P -1","-P 1","2","5-fluoro-5,6-(bis(2-pyridyl)cyclobuta)uracil (fbpcu)","6-fluoro-7,8-bis(2-pyridyl)-2,4-diazabicyclo[4.2.0]octa-3,5-dione","","- C16 H13 F N4 O2 -","- C16 H13 F N4 O2 -","- C64 H52 F4 N16 O8 -","4","2","","Duncan, Andrew J. E.; Dudovitz, Roxanne L.; Dudovitz, Shawna J.; Stojaković, Jelena; Mariappan, S. V. Santhana; MacGillivray, Leonard R.","Quantitative and regiocontrolled cross-photocycloaddition of the anticancer drug 5-fluorouracil achieved in a cocrystal.","Chemical communications (Cambridge, England)","2016","52","89","13109","13111","10.1039/c6cc06570h","","","0.71073","MoKα","","0.0945","0.0486","","","0.0991","0.1175","","","","","","1.017","","","","has coordinates","234480","2020-10-21","18:00:00",""
"7125063","13.802","0.0017","20.7715","0.0013","18.8547","0.0011","90","","100.48","0.002","90","","5315.3","0.8","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C102 H88 Cl0 Cu4 F12 N2 P10 -","- C102 H88 Cu4 F12 N2 P10 -","- C204 H176 Cu8 F24 N4 P20 -","2","0.5","","El Sayed Moussa, M.; Evariste, S.; Wong, H.-L.; Le Bras, L.; Roiland, C.; Le Polles, L.; Le Guennic, B.; Costuas, K.; Yam, V. W.-W.; Lescop, C.","A solid state highly emissive Cu(i) metallacycle: promotion of cuprophilic interactions at the excited states.","Chemical communications (Cambridge, England)","2016","52","76","11370","11373","10.1039/c6cc06613e","","","0.71073","MoKα","","0.0671","0.0566","","","0.1677","0.1753","","","","","","1.113","","","","has coordinates,has disorder","234482","2020-10-21","18:00:00",""
"7125064","13.869","0.004","20.739","0.007","18.963","0.006","90","","100.223","0.002","90","","5368","3","150","2","150","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C102 H88 Cl0 Cu4 F12 N2 P10 -","- C102 H88 Cu4 F12 N2 P10 -","- C204 H176 Cu8 F24 N4 P20 -","2","0.5","","El Sayed Moussa, M.; Evariste, S.; Wong, H.-L.; Le Bras, L.; Roiland, C.; Le Polles, L.; Le Guennic, B.; Costuas, K.; Yam, V. W.-W.; Lescop, C.","A solid state highly emissive Cu(i) metallacycle: promotion of cuprophilic interactions at the excited states.","Chemical communications (Cambridge, England)","2016","52","76","11370","11373","10.1039/c6cc06613e","","","0.71073","MoKα","","0.0738","0.0589","","","0.1689","0.1777","","","","","","1.15","","","","has coordinates,has disorder","234482","2020-10-21","18:00:00",""
"7125065","13.935","0.003","20.745","0.005","19.086","0.004","90","","100.55","0.005","90","","5424","2","200","2","200","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C102 H88 Cl0 Cu4 F12 N2 P10 -","- C102 H88 Cu4 F12 N2 P10 -","- C204 H176 Cu8 F24 N4 P20 -","2","0.5","","El Sayed Moussa, M.; Evariste, S.; Wong, H.-L.; Le Bras, L.; Roiland, C.; Le Polles, L.; Le Guennic, B.; Costuas, K.; Yam, V. W.-W.; Lescop, C.","A solid state highly emissive Cu(i) metallacycle: promotion of cuprophilic interactions at the excited states.","Chemical communications (Cambridge, England)","2016","52","76","11370","11373","10.1039/c6cc06613e","","","0.71073","MoKα","","0.0755","0.0561","","","0.1587","0.1701","","","","","","1.042","","","","has coordinates,has disorder","234482","2020-10-21","18:00:00",""
"7125066","14.023","0.003","20.778","0.005","19.191","0.004","90","","100.733","0.009","90","","5494","2","250","2","250","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C102 H88 Cl0 Cu4 F12 N2 P10 -","- C102 H88 Cu4 F12 N2 P10 -","- C204 H176 Cu8 F24 N4 P20 -","2","0.5","","El Sayed Moussa, M.; Evariste, S.; Wong, H.-L.; Le Bras, L.; Roiland, C.; Le Polles, L.; Le Guennic, B.; Costuas, K.; Yam, V. W.-W.; Lescop, C.","A solid state highly emissive Cu(i) metallacycle: promotion of cuprophilic interactions at the excited states.","Chemical communications (Cambridge, England)","2016","52","76","11370","11373","10.1039/c6cc06613e","","","0.71073","MoKα","","0.0834","0.0561","","","0.1514","0.1646","","","","","","0.977","","","","has coordinates,has disorder","234482","2020-10-21","18:00:00",""
"7125067","8.533","0.001","13.0141","0.001","9.6918","0.0012","90","","92.131","0.001","90","","1075.5","0.2","293","2","295","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C4 H4 N2 O2.5 S0.5 -","- C4 H4 N2 O2.5 S0.5 -","- C32 H32 N16 O20 S4 -","8","2","","Shemchuk, O.; Braga, D.; Grepioni, F.","Alloying barbituric and thiobarbituric acids: from solid solutions to a highly stable keto co-crystal form.","Chemical communications (Cambridge, England)","2016","52","79","11815","11818","10.1039/c6cc06615a","","x-ray","0.71073","MoKα","","0.1644","0.0856","","","0.1302","0.1552","","","","","","1.167","","","","has coordinates,has disorder","234484","2020-10-21","18:00:00",""
"7125068","8.4569","0.0009","12.94","0.001","9.5593","0.0009","90","","92.626","0.01","90","","1045","0.17","293","2","295","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C8 H8 N4 O5.4 S0.6 -","- C8 H8 N4 O5.4 S0.6 -","- C32 H32 N16 O21.6 S2.4 -","4","1","","Shemchuk, O.; Braga, D.; Grepioni, F.","Alloying barbituric and thiobarbituric acids: from solid solutions to a highly stable keto co-crystal form.","Chemical communications (Cambridge, England)","2016","52","79","11815","11818","10.1039/c6cc06615a","","x-ray","0.71073","MoKα","","0.208","0.0743","","","0.1139","0.1604","","","","","","0.985","","","","has coordinates,has disorder","234484","2020-10-21","18:00:00",""
"7125069","8.4662","0.0013","12.9681","0.0012","9.6819","0.0011","90","","92.49","0.014","90","","1062","0.2","293","2","295","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C8 H8 N4 O5.2 S0.8 -","- C8 H8 N4 O5.2 S0.8 -","- C32 H32 N16 O20.8 S3.2 -","4","1","","Shemchuk, O.; Braga, D.; Grepioni, F.","Alloying barbituric and thiobarbituric acids: from solid solutions to a highly stable keto co-crystal form.","Chemical communications (Cambridge, England)","2016","52","79","11815","11818","10.1039/c6cc06615a","","x-ray","0.71073","MoKα","","0.2337","0.1059","","","0.2172","0.2839","","","","","","1.021","","","","has coordinates,has disorder","234484","2020-10-21","18:00:00",""
"7125070","18.159","0.005","7.4484","0.0019","6.3101","0.0015","90","","90","","90","","853.5","0.4","115.05","","115.05","","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C5 H12 O P2 -","- C5 H12 O P2 -","- C20 H48 O4 P8 -","4","0.5","","Jost, Maximilian; Finger, Lars H.; Sundermeyer, Jörg; von Hänisch, Carsten","Simple access to ionic liquids and organic salts containing the phosphaethynolate (PCO(-)) and Zintl (Sb11(3-)) anions.","Chemical communications (Cambridge, England)","2016","52","78","11646","11648","10.1039/c6cc06620h","","x-ray","0.71073","MoKα","","0.0857","0.046","","","0.0756","0.09","","","","","","1.009","","","","has coordinates,has disorder","234486","2020-10-21","18:00:00",""
"7125071","11.8762","0.0006","15.7545","0.0008","13.6079","0.0006","90","","94.012","0.002","90","","2539.8","0.2","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H39 N7 O2 P2 -","- C18 H39 N7 O2 P2 -","- C72 H156 N28 O8 P8 -","4","1","","Jost, Maximilian; Finger, Lars H.; Sundermeyer, Jörg; von Hänisch, Carsten","Simple access to ionic liquids and organic salts containing the phosphaethynolate (PCO(-)) and Zintl (Sb11(3-)) anions.","Chemical communications (Cambridge, England)","2016","52","78","11646","11648","10.1039/c6cc06620h","","x-ray","0.71073","MoKα","","0.045","0.0317","","","0.0683","0.0741","","","","","","1.052","","","","has coordinates,has disorder","234486","2020-10-21","18:00:00",""
"7125072","5.941","0.0005","7.4092","0.0006","8.8324","0.0008","90","","99.184","0.004","90","","383.8","0.06","100","","100","","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C5 H12 N O P -","- C5 H12 N O P -","- C10 H24 N2 O2 P2 -","2","0.5","","Jost, Maximilian; Finger, Lars H.; Sundermeyer, Jörg; von Hänisch, Carsten","Simple access to ionic liquids and organic salts containing the phosphaethynolate (PCO(-)) and Zintl (Sb11(3-)) anions.","Chemical communications (Cambridge, England)","2016","52","78","11646","11648","10.1039/c6cc06620h","","x-ray","0.71073","MoKα","","0.0376","0.0303","","","0.0705","0.0735","","","","","","1.066","","","","has coordinates","234486","2020-10-21","18:00:00",""
"7125073","31.443","0.002","11.2133","0.0007","21.6617","0.0011","90","","123.21","0.004","90","","6390","0.7","100.15","","100.15","","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C39 H90 P3 Sb11 -","- C39 H90 P3 Sb11 -","- C156 H360 P12 Sb44 -","4","1","","Jost, Maximilian; Finger, Lars H.; Sundermeyer, Jörg; von Hänisch, Carsten","Simple access to ionic liquids and organic salts containing the phosphaethynolate (PCO(-)) and Zintl (Sb11(3-)) anions.","Chemical communications (Cambridge, England)","2016","52","78","11646","11648","10.1039/c6cc06620h","","","0.71073","MoKα","","0.1089","0.0531","","","0.1205","0.1339","","","","","","0.719","","","","has coordinates,has disorder","234486","2020-10-21","18:00:00",""
"7125074","8.8081","0.0004","9.9881","0.0005","12.6194","0.0006","79.9048","0.0016","82.4837","0.0016","80.2931","0.0016","1071.49","0.09","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C26 H19 Cl O4 -","- C26 H18.1 Cl O4 -","- C52 H36.2 Cl2 O8 -","2","1","","Gao, Wen-Chao; Hu, Fei; Tian, Jun; Li, Xing; Wei, Wen-Long; Chang, Hong-Hong","Hypoiodite-catalysed oxidative cyclisation of Michael adducts of chalcones with 1,3-dicarbonyl compounds: a facile and versatile approach to substituted furans and cyclopropanes.","Chemical communications (Cambridge, England)","2016","52","89","13097","13100","10.1039/c6cc06624k","","","0.71073","MoKα","","0.0757","0.0482","","","0.1131","0.1304","","","","","","1.021","","","","has coordinates","234488","2020-10-21","18:00:00",""
"7125075","8.5852","0.0006","15.905","0.0012","15.6721","0.0012","90","","95.176","0.002","90","","2131.3","0.3","299","2","299","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C26 H22 O4 -","- C26 H22 O4 -","- C104 H88 O16 -","4","1","","Gao, Wen-Chao; Hu, Fei; Tian, Jun; Li, Xing; Wei, Wen-Long; Chang, Hong-Hong","Hypoiodite-catalysed oxidative cyclisation of Michael adducts of chalcones with 1,3-dicarbonyl compounds: a facile and versatile approach to substituted furans and cyclopropanes.","Chemical communications (Cambridge, England)","2016","52","89","13097","13100","10.1039/c6cc06624k","","","0.71073","MoKα","","0.0697","0.046","","","0.1044","0.1198","","","","","","1.027","","","","has coordinates","234488","2020-10-21","18:00:00",""
"7125076","9.423","0.005","12.742","0.007","12.89","0.007","62.717","0.009","70.16","0.009","76.407","0.01","1288","1.2","298","2","298","2","","","","","","","","5","P -1","-P 1","2","Sparfloxacin-methyl paraben cocrystal","5-Amino-1-cyclopropyl-7-[(3R,5S)3,5-dimethylpiperazin-1-yl]-6,8-difluoro-4-oxo-quinoline-3-carboxylic acid-methyl 4-hydroxy benzoate","","- C27 H30 F2 N4 O6 -","- C27 H30 F2 N4 O6 -","- C54 H60 F4 N8 O12 -","2","1","","Gunnam, Anilkumar; Suresh, Kuthuru; Ganduri, Ramesh; Nangia, Ashwini","Crystal engineering of a zwitterionic drug to neutral cocrystals: a general solution for floxacins.","Chemical communications (Cambridge, England)","2016","52","85","12610","12613","10.1039/c6cc06627e","","","0.71073","MoKα","","0.1037","0.0606","","","0.1361","0.1541","","","","","","0.909","","","","has coordinates","234490","2020-10-21","18:00:00",""
"7125077","7.9588","0.0004","10.3333","0.0005","17.8484","0.0009","80.749","0.004","87.489","0.004","72.019","0.005","1377.99","0.13","153","2","153","2","","","","","","","","5","P -1","-P 1","2","Sparfloxacin-Propylparaben cocrystal","5-Amino-1-cyclopropyl-7-[(3R,5S)3,5-dimethylpiperazin-1-yl]-6,8-difluoro-4-oxo-quinoline-3-carboxylic acid-4-hydroxy-propylbenzoate","","- C29 H34 F2 N4 O6 -","- C29 H34 F2 N4 O6 -","- C58 H68 F4 N8 O12 -","2","1","","Gunnam, Anilkumar; Suresh, Kuthuru; Ganduri, Ramesh; Nangia, Ashwini","Crystal engineering of a zwitterionic drug to neutral cocrystals: a general solution for floxacins.","Chemical communications (Cambridge, England)","2016","52","85","12610","12613","10.1039/c6cc06627e","","","0.71073","MoKα","","0.1212","0.0753","","","0.1928","0.221","","","","","","1.087","","","","has coordinates","234490","2020-10-21","18:00:00",""
"7125078","9.5457","0.0005","12.8769","0.0006","13.338","0.0007","62.8916","0.0014","71.3599","0.0016","77.1301","0.0016","1377.05","0.12","298","2","298","2","","","","","","","","5","P -1","-P 1","2","Sparfloxacin-ethyl paraben cocrystal","5-Amino-1-cyclopropyl-7-[(3R,5S)3,5-dimethylpiperazin-1-yl]-6,8-difluoro-4-oxo-quinoline-3-carboxylic acid-ethyl 4-hydroxy benzoate","","- C28 H32 F2 N4 O6 -","- C28 H32 F2 N4 O6 -","- C56 H64 F4 N8 O12 -","2","1","","Gunnam, Anilkumar; Suresh, Kuthuru; Ganduri, Ramesh; Nangia, Ashwini","Crystal engineering of a zwitterionic drug to neutral cocrystals: a general solution for floxacins.","Chemical communications (Cambridge, England)","2016","52","85","12610","12613","10.1039/c6cc06627e","","","0.71073","MoKα","","0.0855","0.0498","","","0.1449","0.1729","","","","","","1.106","","","","has coordinates","234490","2020-10-21","18:00:00",""
"7125079","9.5693","0.0007","9.7134","0.0007","17.7964","0.0012","74.767","0.003","76.025","0.003","69.597","0.003","1475.24","0.18","298","2","298","2","","","","","","","","5","P -1","-P 1","2","Sparfloxacin-Isobutylparaben corystal","5-Amino-1-cyclopropyl-7-[(3R,5S)3,5-dimethylpiperazin-1-yl]-6,8-difluoro-4-oxo-quinoline-3-carboxylic acid-4-hydroxy-isobutylbenzoate","","- C30 H36 F2 N4 O6 -","- C30 H36 F2 N4 O6 -","- C60 H72 F4 N8 O12 -","2","1","","Gunnam, Anilkumar; Suresh, Kuthuru; Ganduri, Ramesh; Nangia, Ashwini","Crystal engineering of a zwitterionic drug to neutral cocrystals: a general solution for floxacins.","Chemical communications (Cambridge, England)","2016","52","85","12610","12613","10.1039/c6cc06627e","","","0.71073","MoKα","","0.1481","0.0638","","","0.1239","0.1517","","","","","","1.03","","","","has coordinates","234490","2020-10-21","18:00:00",""
"7125080","9.5286","0.0008","17.004","0.0014","17.9431","0.0015","90","","96.744","0.003","90","","2887.1","0.4","100","2","100.1","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C27 H28 Cl2 N6 Ni O8 -","- C27 H28 Cl2 N6 Ni O8 -","- C108 H112 Cl8 N24 Ni4 O32 -","4","1","","Kankanamalage, Pavithra H. A.; Mazumder, Shivnath; Tiwari, Vishwas; Kpogo, Kenneth K.; Bernhard Schlegel, H.; Verani, Cláudio N","Efficient electro/photocatalytic water reduction using a [Ni<sup>II</sup>(N<sub>2</sub>Py<sub>3</sub>)]<sup>2+</sup> complex.","Chemical communications (Cambridge, England)","2016","52","91","13357","13360","10.1039/c6cc06629a","","x-ray","0.71073","MoKα","","0.0622","0.0517","","","0.1222","0.1286","","","","","","1.085","","","","has coordinates","234492","2020-10-21","18:00:00",""
"7125081","7.8366","0.0004","8.8547","0.0004","14.3134","0.0006","84.725","0.002","88.103","0.002","87.621","0.002","987.73","0.08","296","2","296","2","","","","","","","","3","P -1","-P 1","2","","","","- C22 H28 O3 -","- C22 H28 O3 -","- C44 H56 O6 -","2","1","","Tharra, Prabhakararao; Baire, Beeraiah","The Z-enoate assisted, Meyer-Schuster rearrangement cascade: unconventional synthesis of α-arylenone esters.","Chemical communications (Cambridge, England)","2016","52","82","12147","12150","10.1039/c6cc06639a","","","0.71073","MoKα","","0.0581","0.0425","","","0.1036","0.1163","","","","","","1.05","","","","has coordinates","234494","2020-10-21","18:00:00",""
"7125082","44.3099","0.0012","44.3099","0.0012","21.2242","0.0009","90","","90","","120","","36088","2","100.05","0.1","100","2","","","","","","","","7","R -3 c :H","-R 3 2""c","167","","","","- C144 H126 Br12 Mn18 N24 Na6 O66 -","- C144 H126 Br12 Mn18 N24 Na6 O66 -","- C864 H756 Br72 Mn108 N144 Na36 O396 -","6","0.166667","","Manoli, Maria; Inglis, Ross; Piligkos, Stergios; Yanhua, Lan; Wernsdorfer, Wolfgang; Brechin, Euan K.; Tasiopoulos, Anastasios J.","A hexameric [MnNa<sub>6</sub>] wheel based on [MnO]<sup>7+</sup> sub-units.","Chemical communications (Cambridge, England)","2016","52","87","12829","12832","10.1039/c6cc06644e","","","1.54184","CuKα","","0.0763","0.0688","","","0.2089","0.2175","","","","","","1.109","","","","has coordinates","234496","2020-10-21","18:00:00",""
"7125083","6.6588","0.0007","8.4075","0.0015","15.219","0.005","83.79","0.03","77.405","0.017","67.799","0.013","769.6","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H20 As F6 S12 -","- C20.008 H20.008 As F6 S12 -","- C20.008 H20.008 As F6 S12 -","1","0.5","","Pop, Flavia; Auban-Senzier, Pascale; Canadell, Enric; Avarvari, Narcis","Anion size control of the packing in the metallic versus semiconducting chiral radical cation salts (DM-EDT-TTF)<sub>2</sub>XF<sub>6</sub> (X = P, As, Sb).","Chemical communications (Cambridge, England)","2016","52","84","12438","12441","10.1039/c6cc06706a","","","0.71073","MoKα","","0.0837","0.0453","","","0.1006","0.1148","","","","","","1.027","","","","has coordinates,has disorder","234499","2020-10-21","18:00:00",""
"7125084","6.6849","0.0005","8.3964","0.0008","15.203","0.003","86.78","0.012","77.306","0.009","68.018","0.006","771.63","0.18","293","2","293","2","","","","","","","","5","P 1","P 1","1","","","","- C20 H20 As F6 S12 -","- C20 H20 As F6 S12 -","- C20 H20 As F6 S12 -","1","1","","Pop, Flavia; Auban-Senzier, Pascale; Canadell, Enric; Avarvari, Narcis","Anion size control of the packing in the metallic versus semiconducting chiral radical cation salts (DM-EDT-TTF)<sub>2</sub>XF<sub>6</sub> (X = P, As, Sb).","Chemical communications (Cambridge, England)","2016","52","84","12438","12441","10.1039/c6cc06706a","","","0.71073","MoKα","","0.0971","0.0413","","","0.069","0.0811","","","","","","1.006","","","","has coordinates","234499","2020-10-21","18:00:00",""
"7125085","6.6221","0.0004","8.485","0.0004","15.3114","0.0009","87.078","0.005","77.556","0.005","68.221","0.004","779.75","0.08","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H20 F6 S12 Sb -","- C20 H20 F6 S12 Sb -","- C20 H20 F6 S12 Sb -","1","0.5","","Pop, Flavia; Auban-Senzier, Pascale; Canadell, Enric; Avarvari, Narcis","Anion size control of the packing in the metallic versus semiconducting chiral radical cation salts (DM-EDT-TTF)<sub>2</sub>XF<sub>6</sub> (X = P, As, Sb).","Chemical communications (Cambridge, England)","2016","52","84","12438","12441","10.1039/c6cc06706a","","","0.71073","MoKα","","0.0879","0.0374","","","0.0771","0.0882","","","","","","1.013","","","","has coordinates,has disorder","234499","2020-10-21","18:00:00",""
"7125086","6.6529","0.0007","8.4663","0.0003","15.2766","0.0011","87.151","0.006","77.495","0.007","68.478","0.007","781.06","0.11","293","2","293","2","","","","","","","","5","P 1","P 1","1","","","","- C20 H20 F6 S12 Sb -","- C20 H20 F6 S12 Sb -","- C20 H20 F6 S12 Sb -","1","1","","Pop, Flavia; Auban-Senzier, Pascale; Canadell, Enric; Avarvari, Narcis","Anion size control of the packing in the metallic versus semiconducting chiral radical cation salts (DM-EDT-TTF)<sub>2</sub>XF<sub>6</sub> (X = P, As, Sb).","Chemical communications (Cambridge, England)","2016","52","84","12438","12441","10.1039/c6cc06706a","","","0.71073","MoKα","","0.0907","0.0531","","","0.1354","0.1523","","","","","","1.062","","","","has coordinates","234499","2020-10-21","18:00:00",""
"7125087","8.0663","0.0007","16.177","0.002","14.023","0.002","90","","100.231","0.007","90","","1800.7","0.4","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C20 H20 As2 F12 S12 -","- C20 H20 As2 F12 S12 -","- C40 H40 As4 F24 S24 -","2","1","","Pop, Flavia; Auban-Senzier, Pascale; Canadell, Enric; Avarvari, Narcis","Anion size control of the packing in the metallic versus semiconducting chiral radical cation salts (DM-EDT-TTF)<sub>2</sub>XF<sub>6</sub> (X = P, As, Sb).","Chemical communications (Cambridge, England)","2016","52","84","12438","12441","10.1039/c6cc06706a","","","0.71073","MoKα","","0.0996","0.0443","","","0.069","0.0824","","","","","","1.016","","","","has coordinates","234499","2020-10-21","18:00:00",""
"7125088","8.0746","0.0005","16.1837","0.0007","14.0446","0.0006","90","","100.159","0.004","90","","1806.53","0.16","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C20 H20 As2 F12 S12 -","- C20 H20 As2 F12 S12 -","- C40 H40 As4 F24 S24 -","2","1","","Pop, Flavia; Auban-Senzier, Pascale; Canadell, Enric; Avarvari, Narcis","Anion size control of the packing in the metallic versus semiconducting chiral radical cation salts (DM-EDT-TTF)<sub>2</sub>XF<sub>6</sub> (X = P, As, Sb).","Chemical communications (Cambridge, England)","2016","52","84","12438","12441","10.1039/c6cc06706a","","","0.71073","MoKα","","0.1282","0.05","","","0.0773","0.0952","","","","","","1.009","","","","has coordinates","234499","2020-10-21","18:00:00",""
"7125089","10.887","0.005","10.896","0.004","14.07","0.006","91.252","0.004","92.588","0.005","104.43","0.005","1613.8","1.2","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H16 N2 O8 Zn2 -","- C26 H16 N2 O8 Zn2 -","- C52 H32 N4 O16 Zn4 -","2","1","","Bhatt, Prashant M.; Batisai, Eustina; Smith, Vincent J.; Barbour, Leonard J.","Creation of new guest accessible space under gas pressure in a flexible MOF: multidimensional insight through combination of in situ techniques.","Chemical communications (Cambridge, England)","2016","52","76","11374","11377","10.1039/c6cc06709c","","","0.71073","MoKα","","0.1384","0.0862","","","0.2061","0.2228","","","","","","1.023","","","","has coordinates,has disorder","234501","2020-10-21","18:00:00",""
"7125090","7.9917","0.0013","9.4227","0.0016","10.5835","0.0017","65.314","0.002","86.464","0.002","76.513","0.002","703.6","0.2","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C13 H8 N O4 Zn -","- C13 H8 N O4 Zn -","- C26 H16 N2 O8 Zn2 -","2","1","","Bhatt, Prashant M.; Batisai, Eustina; Smith, Vincent J.; Barbour, Leonard J.","Creation of new guest accessible space under gas pressure in a flexible MOF: multidimensional insight through combination of in situ techniques.","Chemical communications (Cambridge, England)","2016","52","76","11374","11377","10.1039/c6cc06709c","","","0.71073","MoKα","","0.073","0.0588","","","0.1757","0.2199","","","","","","1.251","","","","has coordinates,has disorder","234501","2020-10-21","18:00:00",""
"7125091","14.099","0.01","10.997","0.008","21.865","0.015","90","","93.971","0.009","90","","3382","4","253","2","253","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26.87 H16 N2 O9.73 Zn2 -","- C26.865 H16 N2 O9.73 Zn2 -","- C107.46 H64 N8 O38.92 Zn8 -","4","1","","Bhatt, Prashant M.; Batisai, Eustina; Smith, Vincent J.; Barbour, Leonard J.","Creation of new guest accessible space under gas pressure in a flexible MOF: multidimensional insight through combination of in situ techniques.","Chemical communications (Cambridge, England)","2016","52","76","11374","11377","10.1039/c6cc06709c","","","0.71073","MoKα","","0.1408","0.0877","","","0.2116","0.2319","","","","","","1.081","","","","has coordinates,has disorder","234501","2020-10-21","18:00:00",""
"7125092","7.871","0.003","9.34","0.003","10.629","0.003","65.253","0.004","86.362","0.004","77.446","0.004","692.3","0.4","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C13 H8 N O4 Zn -","- C13 H8 N O4 Zn -","- C26 H16 N2 O8 Zn2 -","2","1","","Bhatt, Prashant M.; Batisai, Eustina; Smith, Vincent J.; Barbour, Leonard J.","Creation of new guest accessible space under gas pressure in a flexible MOF: multidimensional insight through combination of in situ techniques.","Chemical communications (Cambridge, England)","2016","52","76","11374","11377","10.1039/c6cc06709c","","","0.71073","MoKα","","0.0346","0.033","","","0.0878","0.0889","","","","","","1.078","","","","has coordinates,has disorder","234501","2020-10-21","18:00:00",""
"7125093","14.065","0.008","10.949","0.006","21.771","0.013","90","","94.319","0.009","90","","3343","3","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H16 N2 O8 Zn2 -","- C26 H16 N2 O8 Zn2 -","- C104 H64 N8 O32 Zn8 -","4","1","","Bhatt, Prashant M.; Batisai, Eustina; Smith, Vincent J.; Barbour, Leonard J.","Creation of new guest accessible space under gas pressure in a flexible MOF: multidimensional insight through combination of in situ techniques.","Chemical communications (Cambridge, England)","2016","52","76","11374","11377","10.1039/c6cc06709c","","","0.71073","MoKα","","0.0955","0.0633","","","0.1578","0.1718","","","","","","0.988","","","","has coordinates,has disorder","234501","2020-10-21","18:00:00",""
"7125094","46.542","0.002","46.542","0.002","46.542","0.002","90","","90","","90","","100817","8","","","","","","","","","","","","4","F m -3 m","-F 4 2 3","225","HNUST5","","","- C30 Cu2 N2 O12 -","- C30 Cu2 N2 O12 -","- C1440 Cu96 N96 O576 -","48","0.25","","Zheng, Baishu; Wang, Hang; Wang, Zhaoxu; Ozaki, Noriaki; Hang, Cheng; Luo, Xin; Huang, Lu; Zeng, Wenjiang; Yang, Ming; Duan, Jingui","A highly porous rht-type acylamide-functionalized metal-organic framework exhibiting large CO<sub>2</sub> uptake capabilities.","Chemical communications (Cambridge, England)","2016","52","88","12988","12991","10.1039/c6cc06734d","powder diffraction","","1.54059","CuKα~1~","","0.10183","","","","","","0.11178","0.11219","3.4874","","","","","","","has coordinates","234504","2020-10-21","18:00:00",""
"7125095","6.1031","0.0006","11.4651","0.0012","26.396","0.003","90","","95.114","0.009","90","","1839.6","0.3","180.01","0.1","180.01","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C20 H26 N O4 -","- C20 H26 N O4 -","- C80 H104 N4 O16 -","4","1","","Zhang, Hang; Wang, Bo; Yi, Heng; Sun, Tong; Zhang, Yan; Wang, Jianbo","Transition-metal-free three-component reaction of cyclopropenes, aldehydes and amines.","Chemical communications (Cambridge, England)","2016","52","90","13285","13287","10.1039/c6cc06743c","","","0.7107","MoKα","","0.1071","0.0707","","","0.1869","0.2242","","","","","","1.016","","","","has coordinates","234506","2020-10-21","18:00:00",""
"7125096","14.287","0.002","15.4","0.002","16.699","0.002","102.618","0.008","97.963","0.008","99.865","0.008","3472.7","0.8","100","1","100","1","","","","","","","","3","P -1","-P 1","2","","","","- C144 H232 Sn10 -","- C144 H232 Sn10 -","- C144 H232 Sn10 -","1","0.5","","Wiederkehr, J.; Wölper, C; Schulz, S.","Synthesis and solid state structure of a metalloid tin cluster [Sn<sub>10</sub>(trip<sub>8</sub>)].","Chemical communications (Cambridge, England)","2016","52","83","12282","12285","10.1039/c6cc06770k","","","0.71073","MoKα","","0.1357","0.0628","","","0.1378","0.1927","","","","","","1.111","","","","has coordinates","234508","2020-10-21","18:00:00",""
"7125097","9.0942","0.0005","20.5821","0.0011","21.2116","0.0012","90","","90","","90","","3970.3","0.4","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C44 H64 Mg N2 -","- C44 H64 Mg N2 -","- C176 H256 Mg4 N8 -","4","1","","Wiederkehr, J.; Wölper, C; Schulz, S.","Synthesis and solid state structure of a metalloid tin cluster [Sn<sub>10</sub>(trip<sub>8</sub>)].","Chemical communications (Cambridge, England)","2016","52","83","12282","12285","10.1039/c6cc06770k","","","0.71073","MoKα","","0.068","0.0459","","","0.1084","0.1226","","","","","","1.035","","","","has coordinates,has disorder","234510","2020-10-21","18:00:00",""
"7125098","11.2579","0.0002","16.4458","0.0003","18.2926","0.0003","90","","90","","90","","3386.79","0.1","104","2","104","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C38 H52 Mg N2 -","- C38 H52 Mg N2 -","- C152 H208 Mg4 N8 -","4","1","","Wiederkehr, J.; Wölper, C; Schulz, S.","Synthesis and solid state structure of a metalloid tin cluster [Sn<sub>10</sub>(trip<sub>8</sub>)].","Chemical communications (Cambridge, England)","2016","52","83","12282","12285","10.1039/c6cc06770k","","","0.71073","MoKα","","0.0468","0.037","","","0.0848","0.0898","","","","","","1.028","","","","has coordinates","234512","2020-10-21","18:00:00",""
"7125099","9.9792","0.0001","6.6848","0.0001","10.2099","0.0007","90","","96.735","0.007","90","","676.39","0.05","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C15 H24 O3 -","- C15 H24 O3 -","- C30 H48 O6 -","2","1","","Li, Fu-Zhuo; Li, Shuang; Zhang, Peng-Peng; Huang, Zhi-Hui; Zhang, Wei-Bin; Gong, Jianxian; Yang, Zhen","A chiral pool approach for asymmetric syntheses of (-)-antrocin, (+)-asperolide C, and (-)-trans-ozic acid.","Chemical communications (Cambridge, England)","2016","52","84","12426","12429","10.1039/c6cc06794h","","","1.54187","CuKα","","0.0547","0.0457","","","0.1109","0.1346","","","","","","1.157","","","","has coordinates","234514","2020-10-21","18:00:00",""
"7125100","11.3567","0.0009","12.2346","0.001","18.4353","0.0015","90","","108.188","0.0013","90","","2433.5","0.3","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C54 H64 B2 Mg O8 -","- C54 H64 B2 Mg O8 -","- C108 H128 B4 Mg2 O16 -","2","0.5","","Mukherjee, Debabrata; Shirase, Satoru; Spaniol, Thomas P.; Mashima, Kazushi; Okuda, Jun","Magnesium hydridotriphenylborate [Mg(thf)<sub>6</sub>][HBPh<sub>3</sub>]<sub>2</sub>: a versatile hydroboration catalyst.","Chemical communications (Cambridge, England)","2016","52","89","13155","13158","10.1039/c6cc06805g","","","0.71073","MoKα","","0.0476","0.0387","","","0.0954","0.1002","","","","","","1.054","","","","has coordinates","234517","2020-10-21","18:00:00",""
"7125101","11.3879","0.0003","10.6012","0.0003","12.1055","0.0003","90","","98.506","0.002","90","","1445.37","0.07","100","0.2","100","0.2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C15 H25 N O3 -","- C15 H25 N O3 -","- C60 H100 N4 O12 -","4","1","","Ho, Guo-Ming; Li, Yu-Jang","Stereoselective synthesis of 2,3,4-highly substituted oxetanes by intramolecular C-C bond forming Michael addition.","Chemical communications (Cambridge, England)","2016","52","81","12108","12111","10.1039/c6cc06857j","","","0.71073","MoKα","","0.0495","0.0347","","","0.0777","0.0877","","","","","","1.035","","","","has coordinates","234519","2020-10-21","18:00:00",""
"7125102","11.1811","0.0004","11.6175","0.0005","14.5096","0.0006","70.505","0.002","78.122","0.002","74.189","0.002","1695.7","0.12","273","2","273","2","","","","","","","","4","P -1","-P 1","2","","","","- C13 H39 N24 O13 -","- C40 H34 N2 O8 -","- C80 H68 N4 O16 -","2","1","","Zhang, Cheng; Chang, Sailan; Qiu, Lihua; Xu, Xinfang","Chemodivergent synthesis of multi-substituted/fused pyrroles via copper-catalyzed carbene cascade reaction of propargyl α-iminodiazoacetates.","Chemical communications (Cambridge, England)","2016","52","84","12470","12473","10.1039/c6cc06864b","","","0.71073","MoKα","","0.0783","0.0562","","","0.1766","0.1938","","","","","","1.399","","","","has coordinates","234521","2020-10-21","18:00:00",""
"7125103","10.7549","0.0006","7.0492","0.0004","19.1664","0.0012","90","","102.5","0.002","90","","1418.63","0.14","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C19 H13 N O4 -","- C19 H13 N O4 -","- C76 H52 N4 O16 -","4","1","","Zhang, Cheng; Chang, Sailan; Qiu, Lihua; Xu, Xinfang","Chemodivergent synthesis of multi-substituted/fused pyrroles via copper-catalyzed carbene cascade reaction of propargyl α-iminodiazoacetates.","Chemical communications (Cambridge, England)","2016","52","84","12470","12473","10.1039/c6cc06864b","","","0.71073","MoKα","","0.0655","0.0492","","","0.1204","0.1298","","","","","","1.049","","","","has coordinates","234521","2020-10-21","18:00:00",""
"7125104","8.6755","0.0007","10.6916","0.001","11.439","0.0009","69.968","0.008","73.363","0.007","72.428","0.007","930.3","0.15","223","2","223","2","","","","","","","","4","P -1","-P 1","2","","","","- C23 H21 N O3 -","- C23 H21 N O3 -","- C46 H42 N2 O6 -","2","1","","Zhang, Cheng; Chang, Sailan; Qiu, Lihua; Xu, Xinfang","Chemodivergent synthesis of multi-substituted/fused pyrroles via copper-catalyzed carbene cascade reaction of propargyl α-iminodiazoacetates.","Chemical communications (Cambridge, England)","2016","52","84","12470","12473","10.1039/c6cc06864b","","","0.71073","MoKα","","0.0578","0.0444","","","0.1181","0.1281","","","","","","1.049","","","","has coordinates","234521","2020-10-21","18:00:00",""
"7125105","4.288","0.0005","27.2739","0.0016","14.6976","0.0009","90","","90.213","0.008","90","","1718.9","0.2","223","0.1","223","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H16 Br N O3 -","- C20 H16 Br N O3 -","- C80 H64 Br4 N4 O12 -","4","1","","Zhang, Cheng; Chang, Sailan; Qiu, Lihua; Xu, Xinfang","Chemodivergent synthesis of multi-substituted/fused pyrroles via copper-catalyzed carbene cascade reaction of propargyl α-iminodiazoacetates.","Chemical communications (Cambridge, England)","2016","52","84","12470","12473","10.1039/c6cc06864b","","","0.71073","MoKα","","0.0738","0.0432","","","0.079","0.0883","","","","","","1.001","","","","has coordinates","234521","2020-10-21","18:00:00",""
"7125106","10.1595","0.0003","12.5137","0.0004","15.7867","0.0005","100.375","0.002","100.066","0.002","108.045","0.003","1819.16","0.11","122.8","0.6","122.8","0.6","","","","","","","","6","P -1","-P 1","2","","","","- C31 H55 Co Fe P5 Si -","- C31 H55 Co Fe P5 Si -","- C62 H110 Co2 Fe2 P10 Si2 -","2","1","","Mädl, Eric; Peresypkina, Eugenia; Timoshkin, Alexey Y.; Scheer, Manfred","Triple-decker sandwich complexes with a bent cyclo-P<sub>5</sub> middle-deck.","Chemical communications (Cambridge, England)","2016","52","83","12298","12301","10.1039/c6cc06883a","","","1.54178","CuKα","","0.0294","0.0257","","","0.0732","0.0803","","","","","","1.091","","","","has coordinates","234523","2020-10-21","18:00:00",""
"7125107","12.73","0.0001","15.579","0.0001","17.3044","0.0001","90","","108.258","0.001","90","","3259.05","0.04","123.1","0.6","123.1","0.6","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C29 H50 Co Fe N P5 -","- C29 H50 Co Fe N P5 -","- C116 H200 Co4 Fe4 N4 P20 -","4","1","","Mädl, Eric; Peresypkina, Eugenia; Timoshkin, Alexey Y.; Scheer, Manfred","Triple-decker sandwich complexes with a bent cyclo-P<sub>5</sub> middle-deck.","Chemical communications (Cambridge, England)","2016","52","83","12298","12301","10.1039/c6cc06883a","","","1.54178","CuKα","","0.0332","0.0288","","","0.0675","0.0683","","","","","","0.925","","","","has coordinates","234523","2020-10-21","18:00:00",""
"7125108","12.7483","0.0001","15.4746","0.0001","17.3699","0.0002","90","","107.71","0.001","90","","3264.25","0.05","123.1","0.8","123.1","0.8","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C29 H50 Fe N Ni P5 -","- C29 H50 Fe N Ni P5 -","- C116 H200 Fe4 N4 Ni4 P20 -","4","1","","Mädl, Eric; Peresypkina, Eugenia; Timoshkin, Alexey Y.; Scheer, Manfred","Triple-decker sandwich complexes with a bent cyclo-P<sub>5</sub> middle-deck.","Chemical communications (Cambridge, England)","2016","52","83","12298","12301","10.1039/c6cc06883a","","","1.54178","CuKα","","0.0304","0.0239","","","0.0552","0.0564","","","","","","0.91","","","","has coordinates","234523","2020-10-21","18:00:00",""
"7125109","17.2557","0.0003","12.4359","0.0002","16.6796","0.0003","90","","114.972","0.002","90","","3244.67","0.11","122.99","0.1","122.99","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C29 H50 Fe2 N P5 -","- C29 H50 Fe2 N P5 -","- C116 H200 Fe8 N4 P20 -","4","1","","Mädl, Eric; Peresypkina, Eugenia; Timoshkin, Alexey Y.; Scheer, Manfred","Triple-decker sandwich complexes with a bent cyclo-P<sub>5</sub> middle-deck.","Chemical communications (Cambridge, England)","2016","52","83","12298","12301","10.1039/c6cc06883a","","","0.71073","MoKα","","0.0532","0.0301","","","0.0588","0.0612","","","","","","0.835","","","","has coordinates","234523","2020-10-21","18:00:00",""
"7125110","19.9256","0.0002","11.6275","0.0001","16.4157","0.0002","90","","106.491","0.001","90","","3646.82","0.07","123.01","0.1","123.01","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C31 H55 Cr Fe P5 Si -","- C31 H55 Cr Fe P5 Si -","- C124 H220 Cr4 Fe4 P20 Si4 -","4","1","","Mädl, Eric; Peresypkina, Eugenia; Timoshkin, Alexey Y.; Scheer, Manfred","Triple-decker sandwich complexes with a bent cyclo-P<sub>5</sub> middle-deck.","Chemical communications (Cambridge, England)","2016","52","83","12298","12301","10.1039/c6cc06883a","","","1.54178","CuKα","","0.0308","0.0278","","","0.0775","0.0784","","","","","","1.092","","","","has coordinates","234523","2020-10-21","18:00:00",""
"7125111","14.9545","0.0001","16.8539","0.0001","15.7381","0.0001","90","","98.016","0.001","90","","3927.9","0.04","123","0.1","123","0.1","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C31 H55 Co F6 Fe P6 Si -","- C31 H55 Co F6 Fe P6 Si -","- C124 H220 Co4 F24 Fe4 P24 Si4 -","4","1","","Mädl, Eric; Peresypkina, Eugenia; Timoshkin, Alexey Y.; Scheer, Manfred","Triple-decker sandwich complexes with a bent cyclo-P<sub>5</sub> middle-deck.","Chemical communications (Cambridge, England)","2016","52","83","12298","12301","10.1039/c6cc06883a","","","1.54178","CuKα","","0.0268","0.0244","","","0.0653","0.0659","","","","","","1.083","","","","has coordinates","234523","2020-10-21","18:00:00",""
"7125112","12.89","0.003","9.6595","0.0019","16.653","0.003","90","","90","","90","","2073.5","0.7","123","2","123","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C50 H60 B2 N2 -","- C50 H60 B2 N2 -","- C100 H120 B4 N4 -","2","0.25","","Yuan, Ningning; Wang, Wenqing; Wu, Ziye; Chen, Sheng; Tan, Gengwen; Sui, Yunxia; Wang, Xinping; Jiang, Jun; Power, Philip P.","A boron-centered radical: a potassium-crown ether stabilized boryl radical anion.","Chemical communications (Cambridge, England)","2016","52","86","12714","12716","10.1039/c6cc06918e","","","0.71073","MoKα","","0.0544","0.0458","","","0.1134","0.1189","","","","","","1.066","","","","has coordinates","234525","2020-10-21","18:00:00",""
"7125113","8.243","0.0007","20.22","0.0018","12.5726","0.0012","90","","101.097","0.003","90","","2056.3","0.3","123","2","123","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C41 H62 B K N O7 -","- C41 H62 B K N O7 -","- C82 H124 B2 K2 N2 O14 -","2","1","","Yuan, Ningning; Wang, Wenqing; Wu, Ziye; Chen, Sheng; Tan, Gengwen; Sui, Yunxia; Wang, Xinping; Jiang, Jun; Power, Philip P.","A boron-centered radical: a potassium-crown ether stabilized boryl radical anion.","Chemical communications (Cambridge, England)","2016","52","86","12714","12716","10.1039/c6cc06918e","","","0.71073","MoKα","","0.0353","0.0337","","","0.0861","0.087","","","","","","1.088","","","","has coordinates,has disorder","234525","2020-10-21","18:00:00",""
"7125114","26.1665","0.0013","15.2608","0.0008","23.2073","0.001","90","","114.863","0.001","90","","8408.3","0.7","120","2","120","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C60 H93 Cd3 Ce I6 N6 O11 P2 -","- C60 H93 Cd3 Ce I6 N6 O11 P2 -","- C240 H372 Cd12 Ce4 I24 N24 O44 P8 -","4","1","","Li, Quan-Wen; Wan, Rui-Chen; Chen, Yan-Cong; Liu, Jun-Liang; Wang, Long-Fei; Jia, Jian-Hua; Chilton, Nicholas F.; Tong, Ming-Liang","Unprecedented hexagonal bipyramidal single-ion magnets based on metallacrowns.","Chemical communications (Cambridge, England)","2016","52","91","13365","13368","10.1039/c6cc06924j","","","0.71073","MoKα","","0.1048","0.0626","","","0.1298","0.1449","","","","","","1.053","","","","has coordinates,has disorder","234528","2020-10-21","18:00:00",""
"7125115","26.2751","0.0009","15.2788","0.0006","23.1448","0.0007","90","","114.769","0.001","90","","8436.7","0.5","120","2","120","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C60 H93 Cd3 I6 N6 Nd O11 P2 -","- C60 H93 Cd3 I6 N6 Nd O11 P2 -","- C240 H372 Cd12 I24 N24 Nd4 O44 P8 -","4","1","","Li, Quan-Wen; Wan, Rui-Chen; Chen, Yan-Cong; Liu, Jun-Liang; Wang, Long-Fei; Jia, Jian-Hua; Chilton, Nicholas F.; Tong, Ming-Liang","Unprecedented hexagonal bipyramidal single-ion magnets based on metallacrowns.","Chemical communications (Cambridge, England)","2016","52","91","13365","13368","10.1039/c6cc06924j","","","0.71073","MoKα","","0.0732","0.0415","","","0.0745","0.0834","","","","","","1.013","","","","has coordinates,has disorder","234528","2020-10-21","18:00:00",""
"7125116","6.924","0.005","8.665","0.006","8.772","0.007","108.778","0.018","94.634","0.017","90.55","0.016","496.3","0.6","150","2","149.98","","","","","","","","","5","P -1","-P 1","2","","","","- C12 H8 F2 O S -","- C12 H8 F2 O S -","- C24 H16 F4 O2 S2 -","2","1","","Tsao, Fu An; Waked, Alexander E.; Cao, Levy; Hofmann, Jordan; Liu, Lei; Grimme, Stefan; Stephan, Douglas W.","S(vi) Lewis acids: fluorosulfoxonium cations.","Chemical communications (Cambridge, England)","2016","52","84","12418","12421","10.1039/c6cc06929k","","","0.71073","MoKα","","0.1709","0.1174","","","0.2783","0.3149","","","","","","1.1245","","","","has coordinates","234530","2020-10-21","18:00:00",""
"7125117","14.6347","0.0017","9.785","0.0012","23.547","0.003","90","","90","","90","","3371.9","0.7","150","2","150","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C37 H12 B F21 O S -","- C37 H12 B F21 O S -","- C148 H48 B4 F84 O4 S4 -","4","1","","Tsao, Fu An; Waked, Alexander E.; Cao, Levy; Hofmann, Jordan; Liu, Lei; Grimme, Stefan; Stephan, Douglas W.","S(vi) Lewis acids: fluorosulfoxonium cations.","Chemical communications (Cambridge, England)","2016","52","84","12418","12421","10.1039/c6cc06929k","","","0.71073","MoKα","","0.0619","0.0463","","","0.1064","0.1153","","","","","","1.01","","","","has coordinates","234530","2020-10-21","18:00:00",""
"7125118","15.099","0.0003","18.8792","0.0005","23.143","0.0007","90","","90","","90","","6597.1","0.3","150","2","149.99","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C36 H10 B F21 O S -","- C36 H10 B F21 O S -","- C288 H80 B8 F168 O8 S8 -","8","1","","Tsao, Fu An; Waked, Alexander E.; Cao, Levy; Hofmann, Jordan; Liu, Lei; Grimme, Stefan; Stephan, Douglas W.","S(vi) Lewis acids: fluorosulfoxonium cations.","Chemical communications (Cambridge, England)","2016","52","84","12418","12421","10.1039/c6cc06929k","","","0.71073","MoKα","","0.0698","0.0406","","","0.0832","0.0966","","","","","","1.0348","","","","has coordinates,has disorder","234530","2020-10-21","18:00:00",""
"7125119","25.433","0.003","8.7969","0.001","18.856","0.002","90","","97.15","0.005","90","","4185.9","0.8","150","2","150","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C24 H8 B0.5 F11 O S -","- C24 H8 B0.5 F11 O S -","- C192 H64 B4 F88 O8 S8 -","8","1","","Tsao, Fu An; Waked, Alexander E.; Cao, Levy; Hofmann, Jordan; Liu, Lei; Grimme, Stefan; Stephan, Douglas W.","S(vi) Lewis acids: fluorosulfoxonium cations.","Chemical communications (Cambridge, England)","2016","52","84","12418","12421","10.1039/c6cc06929k","","","0.71073","MoKα","","0.1211","0.0593","","","0.1207","0.1487","","","","","","1.0457","","","","has coordinates","234530","2020-10-21","18:00:00",""
"7125120","6.9113","0.0007","10.7857","0.0009","16.5078","0.0017","90","","99.049","0.007","90","","1215.2","0.2","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C12 H8 B F5 O S -","- C12 H8 B F5 O S -","- C48 H32 B4 F20 O4 S4 -","4","1","","Tsao, Fu An; Waked, Alexander E.; Cao, Levy; Hofmann, Jordan; Liu, Lei; Grimme, Stefan; Stephan, Douglas W.","S(vi) Lewis acids: fluorosulfoxonium cations.","Chemical communications (Cambridge, England)","2016","52","84","12418","12421","10.1039/c6cc06929k","","","0.71073","MoKα","","0.1036","0.0502","","","0.091","0.1097","","","","","","1.011","","","","has coordinates","234530","2020-10-21","18:00:00",""
"7125121","10.307","0.003","18.544","0.005","27.144","0.007","90","","90","","90","","5188","2","100","2","100","2","","","","","","","","8","I 2 2 2","I 2 2","23","","","","- C30 H55 Au3 Co2 N6 O18 S6 Zn -","- C30 H55 Au3 Co2 N6 O18 S6 Zn -","- C120 H220 Au12 Co8 N24 O72 S24 Zn4 -","4","0.5","","Surinwong, Sireenart; Yoshinari, Nobuto; Kojima, Tatsuhiro; Konno, Takumi","A drastic change in the superhydrophilic crystal porosities of metallosupramolecular structures via a slight change in pH.","Chemical communications (Cambridge, England)","2016","52","87","12893","12896","10.1039/c6cc06943f","","","0.7002","synchrotron","","0.0451","0.0383","","","0.0793","0.0818","","","","","","1.012","","","","has coordinates,has disorder","234533","2020-10-21","18:00:00",""
"7125122","44.2485","0.0001","44.2485","0.0001","28.4446","0.0001","90","","90","","120","","48231.1","0.2","100","2","100","2","","","","","","","","9","P 61 2 2","P 61 2 (0 0 5)","178","","","","- C94 H168 Au9 Co6 N18 Na2 O50 S18 Zn -","- C94 H168 Au9 Co6 N18 Na2 O50 S18 Zn -","- C564 H1008 Au54 Co36 N108 Na12 O300 S108 Zn6 -","6","0.5","","Surinwong, Sireenart; Yoshinari, Nobuto; Kojima, Tatsuhiro; Konno, Takumi","A drastic change in the superhydrophilic crystal porosities of metallosupramolecular structures via a slight change in pH.","Chemical communications (Cambridge, England)","2016","52","87","12893","12896","10.1039/c6cc06943f","","","0.7","synchrotron","","0.074","0.0627","","","0.1622","0.1702","","","","","","1.056","","","","has coordinates","234533","2020-10-21","18:00:00",""
"7125123","11.8867","0.0004","12.3732","0.0004","16.807","0.0006","92.305","0.001","91.809","0.001","98.884","0.001","2438.5","0.14","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C29 H80 B20 Cl2 N4 O P2 -","- C29 H80 B20 Cl2 N4 O P2 -","- C58 H160 B40 Cl4 N8 O2 P4 -","2","1","","Wong, Yuen Onn; Smith, Mark D.; Peryshkov, Dmitry V.","Reversible water activation driven by contraction and expansion of a 12-vertex-closo-12-vertex-nido biscarborane cluster.","Chemical communications (Cambridge, England)","2016","52","86","12710","12713","10.1039/c6cc06955j","","x-ray","0.71073","MoKα","","0.0461","0.0351","","","0.08","0.0846","","","","","","1.036","","","","has coordinates,has disorder","234535","2020-10-21","18:00:00",""
"7125124","44.006","0.002","9.8902","0.0006","22.5051","0.0013","90","","90","","90","","9794.9","0.9","100","2","100","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C30 H81 B20 N5 O P2 -","- C30 H81 B20 N5 O P2 -","- C240 H648 B160 N40 O8 P16 -","8","2","","Wong, Yuen Onn; Smith, Mark D.; Peryshkov, Dmitry V.","Reversible water activation driven by contraction and expansion of a 12-vertex-closo-12-vertex-nido biscarborane cluster.","Chemical communications (Cambridge, England)","2016","52","86","12710","12713","10.1039/c6cc06955j","","x-ray","0.71073","MoKα","","0.0842","0.0506","","","0.0984","0.1096","","","","","","1.026","","","","has coordinates,has disorder","234535","2020-10-21","18:00:00",""
"7125125","13.542","0.003","13.931","0.003","14.562","0.003","90","","97.201","0.003","90","","2725.5","1","90","2","90","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C62 H80 O2 Sn2 -","- C62 H80 O2 Sn2 -","- C124 H160 O4 Sn4 -","2","0.5","","Erickson, Jeremy D.; Lai, Ting Yi; Liptrot, David J.; Olmstead, Marilyn M.; Power, Philip P.","Catalytic dehydrocoupling of amines and boranes by an incipient tin(ii) hydride.","Chemical communications (Cambridge, England)","2016","52","94","13656","13659","10.1039/c6cc06963k","","","0.71073","MoKα","","0.0203","0.0179","","","0.0473","0.0487","","","","","","1.042","","","","has coordinates","234537","2020-10-21","18:00:00",""
"7125126","25.5341","0.0012","22.081","0.0011","21.1566","0.0016","90","","122.336","0.0011","90","","10078.7","1","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C59 H69 N Sn2 -","- C59 H69 N Sn2 -","- C472 H552 N8 Sn16 -","8","1","","Erickson, Jeremy D.; Lai, Ting Yi; Liptrot, David J.; Olmstead, Marilyn M.; Power, Philip P.","Catalytic dehydrocoupling of amines and boranes by an incipient tin(ii) hydride.","Chemical communications (Cambridge, England)","2016","52","94","13656","13659","10.1039/c6cc06963k","","","0.71073","MoKα","","0.0525","0.0426","","","0.109","0.1123","","","","","","1.052","","","","has coordinates,has disorder","234537","2020-10-21","18:00:00",""
"7125127","10.6783","0.0016","18.823","0.003","17.516","0.003","90","","97.699","0.002","90","","3488.9","1","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C40 H40 B P3 Pd -","- C40 H40 B P3 Pd -","- C160 H160 B4 P12 Pd4 -","4","1","","Schuhknecht, Danny; Ritter, Florian; Tauchert, Michael E.","Isolation and properties of a palladium PBP pincer complex featuring an ambiphilic boryl site.","Chemical communications (Cambridge, England)","2016","52","79","11823","11826","10.1039/c6cc07079e","","","0.71073","MoKα","","0.057","0.0407","","","0.0928","0.1003","","","","","","1.02","","","","has coordinates","234540","2020-10-21","18:00:00",""
"7125128","9.0882","0.0006","10.5044","0.0007","16.7224","0.0012","82.47","0.001","80.174","0.001","86.84","0.001","1558.56","0.18","100","","100","","","","","","","","","7","P -1","-P 1","2","","","","- C32 H30 Cl2 I2 N P Pd -","- C32 H30 Cl2 I2 N P Pd -","- C64 H60 Cl4 I4 N2 P2 Pd2 -","2","1","","Schuhknecht, Danny; Ritter, Florian; Tauchert, Michael E.","Isolation and properties of a palladium PBP pincer complex featuring an ambiphilic boryl site.","Chemical communications (Cambridge, England)","2016","52","79","11823","11826","10.1039/c6cc07079e","","","0.71073","MoKα","","0.0374","0.0324","","","0.0799","0.0825","","","","","","1.024","","","","has coordinates","234540","2020-10-21","18:00:00",""
"7125129","8.8638","0.0012","22.432","0.003","19.469","0.003","90","","94.012","0.002","90","","3861.6","0.9","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C46 H45 B I N P2 Pd -","- C46 H45 B I N P2 Pd -","- C184 H180 B4 I4 N4 P8 Pd4 -","4","1","","Schuhknecht, Danny; Ritter, Florian; Tauchert, Michael E.","Isolation and properties of a palladium PBP pincer complex featuring an ambiphilic boryl site.","Chemical communications (Cambridge, England)","2016","52","79","11823","11826","10.1039/c6cc07079e","","","0.71073","MoKα","","0.0775","0.0565","","","0.1649","0.1822","","","","","","1.091","","","","has coordinates,has disorder","234540","2020-10-21","18:00:00",""
"7125130","18.47","0.0018","31.893","0.003","10.3482","0.001","90","","90","","90","","6095.7","1","100","2","100","2","","","","","","","","6","F d d 2","F 2 -2d","43","","","","- C36 H28 B I P2 Pd -","- C36 H28 B I P2 Pd -","- C288 H224 B8 I8 P16 Pd8 -","8","0.5","","Schuhknecht, Danny; Ritter, Florian; Tauchert, Michael E.","Isolation and properties of a palladium PBP pincer complex featuring an ambiphilic boryl site.","Chemical communications (Cambridge, England)","2016","52","79","11823","11826","10.1039/c6cc07079e","","","0.71073","MoKα","","0.0334","0.0308","","","0.0635","0.0644","","","","","","0.981","","","","has coordinates","234540","2020-10-21","18:00:00",""
"7125131","15.188","0.003","20.733","0.004","18.38","0.004","90","","109.077","0.004","90","","5469.9","1.9","100.15","","100.15","","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C66 H55 B I N O2 P2 Pd -","- C66 H55 B I N O2 P2 Pd -","- C264 H220 B4 I4 N4 O8 P8 Pd4 -","4","1","","Schuhknecht, Danny; Ritter, Florian; Tauchert, Michael E.","Isolation and properties of a palladium PBP pincer complex featuring an ambiphilic boryl site.","Chemical communications (Cambridge, England)","2016","52","79","11823","11826","10.1039/c6cc07079e","","","0.71073","MoKα","","0.072","0.0454","","","0.0969","0.1079","","","","","","1.013","","","","has coordinates","234540","2020-10-21","18:00:00",""
"7125132","19.042","0.006","9.093","0.003","35.451","0.011","90","","94.657","0.005","90","","6118","3","100","","100","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","RK-53","","- C24 H42 B O6 P Si2 W -","- C24 H42 B O6 P Si2 W -","- C192 H336 B8 O48 P8 Si16 W8 -","8","1","","Kyri, A. W.; Kunzmann, R.; Schnakenburg, G.; Qu, Z.-W.; Grimme, S.; Streubel, R.","Synthesis of a monomolecular anionic FLP complex.","Chemical communications (Cambridge, England)","2016","52","91","13361","13364","10.1039/c6cc07081g","","","0.71073","MoKα","","0.0569","0.0433","","","0.1006","0.1087","","","","","","1.023","","","","has coordinates","234543","2020-10-21","18:00:00",""
"7125133","9.7786","0.0005","9.9521","0.0004","21.9977","0.001","90","","90","","90","","2140.76","0.17","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C14 H23 O6 P Si2 W -","- C14 H23 O6 P Si2 W -","- C56 H92 O24 P4 Si8 W4 -","4","1","","Kyri, A. W.; Kunzmann, R.; Schnakenburg, G.; Qu, Z.-W.; Grimme, S.; Streubel, R.","Synthesis of a monomolecular anionic FLP complex.","Chemical communications (Cambridge, England)","2016","52","91","13361","13364","10.1039/c6cc07081g","","","0.71073","MoKα","","0.0244","0.0221","","","0.0369","0.0376","","","","","","0.886","","","","has coordinates","234543","2020-10-21","18:00:00",""
"7125134","9.52","0.002","13.825","0.003","17.646","0.004","88.713","0.004","88.594","0.004","79.932","0.004","2285.6","0.9","296","2","296","2","","","","","","","","3","P -1","-P 1","2","","","","- C22 H24 B10 -","- C22 H24 B10 -","- C88 H96 B40 -","4","2","","Tu, Deshuang; Leong, Pakkin; Li, Zhihong; Hu, Rongrong; Shi, Chao; Zhang, Kenneth Yin; Yan, Hong; Zhao, Qiang","A carborane-triggered metastable charge transfer state leading to spontaneous recovery of mechanochromic luminescence.","Chemical communications (Cambridge, England)","2016","52","84","12494","12497","10.1039/c6cc07093k","","","0.71073","MoKα","","0.2062","0.0839","","","0.1393","0.1603","","","","","","1.141","","","","has coordinates","234545","2020-10-21","18:00:00",""
"7125135","7.684","0.003","23.434","0.007","12.637","0.004","90","","94.433","0.006","90","","2268.7","1.3","296","2","296","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C23 H26 B10 -","- C23 H26 B10 -","- C92 H104 B40 -","4","1","","Tu, Deshuang; Leong, Pakkin; Li, Zhihong; Hu, Rongrong; Shi, Chao; Zhang, Kenneth Yin; Yan, Hong; Zhao, Qiang","A carborane-triggered metastable charge transfer state leading to spontaneous recovery of mechanochromic luminescence.","Chemical communications (Cambridge, England)","2016","52","84","12494","12497","10.1039/c6cc07093k","","","0.71073","MoKα","","0.0982","0.0496","","","0.1188","0.1442","","","","","","1.008","","","","has coordinates","234545","2020-10-21","18:00:00",""
"7125136","15.683","0.003","13.493","0.002","11.675","0.002","90","","108.429","0.003","90","","2343.9","0.7","296","2","296","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C H B -","- C1.33333 H1.50725 B0.57971 -","- C92 H104 B40 -","69","17.25","","Tu, Deshuang; Leong, Pakkin; Li, Zhihong; Hu, Rongrong; Shi, Chao; Zhang, Kenneth Yin; Yan, Hong; Zhao, Qiang","A carborane-triggered metastable charge transfer state leading to spontaneous recovery of mechanochromic luminescence.","Chemical communications (Cambridge, England)","2016","52","84","12494","12497","10.1039/c6cc07093k","","","0.71073","MoKα","","0.106","0.0742","","","0.1968","0.2357","","","","","","1.063","","","","has coordinates","234545","2020-10-21","18:00:00",""
"7125137","6.3385","0.0016","15.072","0.004","20.735","0.006","90","","90","","90","","1980.9","0.9","103","2","103","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C25 H15 Cl O4 -","- C25 H15 Cl O4 -","- C100 H60 Cl4 O16 -","4","1","","Liu, Yang; Li, Jiangtao; Ye, Xinyi; Zhao, Xiaowei; Jiang, Zhiyong","Organocatalytic asymmetric formal arylation of benzofuran-2(3H)-ones with cooperative visible light photocatalysis.","Chemical communications (Cambridge, England)","2016","52","97","13955","13958","10.1039/c6cc07105h","","","0.71073","MoKα","","0.115","0.0582","","","0.1071","0.1321","","","","","","0.981","","","","has coordinates","234547","2020-10-21","18:00:00",""
"7125138","9.903","0.0006","6.3446","0.0004","16.4435","0.0009","90","","94.703","0.005","90","","1029.68","0.11","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C26 H18 O5 -","- C26 H18 O5 -","- C52 H36 O10 -","2","1","","Liu, Yang; Li, Jiangtao; Ye, Xinyi; Zhao, Xiaowei; Jiang, Zhiyong","Organocatalytic asymmetric formal arylation of benzofuran-2(3H)-ones with cooperative visible light photocatalysis.","Chemical communications (Cambridge, England)","2016","52","97","13955","13958","10.1039/c6cc07105h","","x-ray","1.54184","CuKα","","0.0548","0.0471","","","0.1296","0.1377","","","","","","1.056","","","","has coordinates","234547","2020-10-21","18:00:00",""
"7125139","11.1942","0.0008","6.6554","0.0005","16.7572","0.0013","90","","108.366","0.008","90","","1184.85","0.16","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C31 H20 O4 -","- C31 H20 O4 -","- C62 H40 O8 -","2","1","","Liu, Yang; Li, Jiangtao; Ye, Xinyi; Zhao, Xiaowei; Jiang, Zhiyong","Organocatalytic asymmetric formal arylation of benzofuran-2(3H)-ones with cooperative visible light photocatalysis.","Chemical communications (Cambridge, England)","2016","52","97","13955","13958","10.1039/c6cc07105h","","x-ray","1.54184","CuKα","","0.0538","0.0404","","","0.0921","0.0996","","","","","","1.012","","","","has coordinates","234547","2020-10-21","18:00:00",""
"7125140","20.9974","0.0005","14.9781","0.0004","31.1032","0.0009","90","","94.152","0.003","90","","9756.3","0.5","110.05","0.1","110.05","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C84 H114 Cl3 Ir3 N12 Si3 -","- C84 H114 Cl3 Ir3 N12 Si3 -","- C336 H456 Cl12 Ir12 N48 Si12 -","4","1","","Olaru, Alexandra M.; Burt, Alister; Rayner, Peter J.; Hart, Sam J.; Whitwood, Adrian C.; Green, Gary G. R.; Duckett, Simon B.","Using signal amplification by reversible exchange (SABRE) to hyperpolarise <sup>119</sup>Sn and <sup>29</sup>Si NMR nuclei.","Chemical communications (Cambridge, England)","2016","52","100","14482","14485","10.1039/c6cc07109k","","x-ray","1.54184","CuKα","","0.0494","0.0412","","","0.0993","0.1028","","","","","","1.047","","","","has coordinates","234549","2020-10-21","18:00:00",""
"7125141","27.98535","0.00015","27.98535","0.00015","27.98535","0.00015","90","","90","","90","","21917.6","0.2","110.05","0.1","110.05","0.1","","","","","","","","7","P a -3","-P 2ac 2ab 3","205","","","","- C89.42 H141.68 Cl3 Ir3 N12 O5.42 Si3 -","- C89.416 H141.664 Cl3 Ir3 N12 O5.416 Si3 -","- C715.328 H1133.31 Cl24 Ir24 N96 O43.328 Si24 -","8","0.333333","","Olaru, Alexandra M.; Burt, Alister; Rayner, Peter J.; Hart, Sam J.; Whitwood, Adrian C.; Green, Gary G. R.; Duckett, Simon B.","Using signal amplification by reversible exchange (SABRE) to hyperpolarise <sup>119</sup>Sn and <sup>29</sup>Si NMR nuclei.","Chemical communications (Cambridge, England)","2016","52","100","14482","14485","10.1039/c6cc07109k","","x-ray","0.71073","MoKα","","0.0828","0.0439","","","0.0895","0.1136","","","","","","1.26","","","","has coordinates,has disorder","234549","2020-10-21","18:00:00",""
"7125142","11.8899","0.001","39.592","0.004","9.1681","0.0007","90","","94.087","0.007","90","","4304.9","0.7","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H30 O2 Si -","- C22 H30 O2 Si -","- C176 H240 O16 Si8 -","8","2","","Akram, Manjur O.; Bera, Saibal; Patil, Nitin T.","A facile strategy for accessing 3-alkynylchromones through gold-catalyzed alkynylation/cyclization of o-hydroxyarylenaminones.","Chemical communications (Cambridge, England)","2016","52","83","12306","12309","10.1039/c6cc07119h","","","0.71073","MoKα","","0.1597","0.1035","","","0.2964","0.3476","","","","","","1.076","","","","has coordinates","234552","2020-10-21","18:00:00",""
"7125143","23.4756","0.0005","12.4761","0.0003","7.29758","0.00016","90","","97.067","0.002","90","","2121.11","0.08","292.78","0.1","292.78","0.1","","","","","","","","6","C 1 2/m 1","-C 2y","12","MnBrCO3dppz","MnBrCO3dppz","","- C10.5 H6 Br0.5 Mn0.5 N2 O2 -","- C10.5 H5 Br0.5 Mn0.5 N2 O1.5 -","- C84 H40 Br4 Mn4 N16 O12 -","8","1","","Coogan, M. P.; Platts, J. A.","Blue rhenium tricarbonyl DPPZ complexes - low energy charge-transfer absorption at tissue-penetrating wavelengths.","Chemical communications (Cambridge, England)","2016","52","84","12498","12501","10.1039/c6cc07125b","","x-ray","1.54184","CuKα","","0.0304","0.0268","","","0.069","0.0717","","","","","","1.061","","","","has coordinates","234554","2020-10-21","18:00:00",""
"7125144","16.3764","0.0007","16.3764","","4.1533","0.0005","90","","90","","90","","1113.86","0.14","293","2","293","2","","","","","","","","5","P -4 21 m","P -4 2ab","113","IBPSSEt","8-iodo-4-ethyl-4H-bis[1,2,3]diselenazolo[4,5-b:5',4'-e]pyridin-2-yl","","- C7 H5 I N3 Se4 -","- C7 H5 I N3 Se4 -","- C28 H20 I4 N12 Se16 -","4","0.5","","Lekin, Kristina; Ogata, Kazuma; Maclean, Adrian; Mailman, Aaron; Winter, Stephen M.; Assoud, Abdeljalil; Mito, Masaki; Tse, John S.; Desgreniers, Serge; Hirao, Naohisa; Dube, Paul A.; Oakley, Richard T.","Pushing T<sub>C</sub> to 27.5 K in a heavy atom radical ferromagnet.","Chemical communications (Cambridge, England)","2016","52","96","13877","13880","10.1039/c6cc07142b","powder diffraction","x-ray","0.41358","Synchrotron","","","","","","","","0.13329","","1.94","","","","","","","has coordinates","234556","2020-10-21","18:00:00",""
"7125145","16.2024","0.0008","16.2024","","4.004","0.0009","90","","90","","90","","1051.1","0.2","293","2","293","2","","","","","","","","5","P -4 21 m","P -4 2ab","113","IBPSSEt","8-iodo-4-ethyl-4H-bis[1,2,3]diselenazolo[4,5-b:5',4'-e]pyridin-2-yl","","- C7 H5 I N3 Se4 -","- C7 H5 I N3 Se4 -","- C28 H20 I4 N12 Se16 -","4","0.5","","Lekin, Kristina; Ogata, Kazuma; Maclean, Adrian; Mailman, Aaron; Winter, Stephen M.; Assoud, Abdeljalil; Mito, Masaki; Tse, John S.; Desgreniers, Serge; Hirao, Naohisa; Dube, Paul A.; Oakley, Richard T.","Pushing T<sub>C</sub> to 27.5 K in a heavy atom radical ferromagnet.","Chemical communications (Cambridge, England)","2016","52","96","13877","13880","10.1039/c6cc07142b","powder diffraction","x-ray","0.41358","Synchrotron","","","","","","","","0.13139","","2.16","","","","","","","has coordinates","234556","2020-10-21","18:00:00",""
"7125146","16.0383","0.0014","16.0383","","3.8839","0.0017","90","","90","","90","","999","0.4","293","2","293","2","","","","","","","","5","P -4 21 m","P -4 2ab","113","IBPSSEt","8-iodo-4-ethyl-4H-bis[1,2,3]diselenazolo[4,5-b:5',4'-e]pyridin-2-yl","","- C7 H5 I N3 Se4 -","- C7 H5 I N3 Se4 -","- C28 H20 I4 N12 Se16 -","4","0.5","","Lekin, Kristina; Ogata, Kazuma; Maclean, Adrian; Mailman, Aaron; Winter, Stephen M.; Assoud, Abdeljalil; Mito, Masaki; Tse, John S.; Desgreniers, Serge; Hirao, Naohisa; Dube, Paul A.; Oakley, Richard T.","Pushing T<sub>C</sub> to 27.5 K in a heavy atom radical ferromagnet.","Chemical communications (Cambridge, England)","2016","52","96","13877","13880","10.1039/c6cc07142b","powder diffraction","x-ray","0.41358","Synchrotron","","","","","","","","0.1197","","3.01","","","","","","","has coordinates","234556","2020-10-21","18:00:00",""
"7125147","15.9987","0.0015","15.9987","","3.87","0.0021","90","","90","","90","","990.6","0.5","293","2","293","2","","","","","","","","5","P -4 21 m","P -4 2ab","113","IBPSSEt","8-iodo-4-ethyl-4H-bis[1,2,3]diselenazolo[4,5-b:5',4'-e]pyridin-2-yl","","- C7 H5 I N3 Se4 -","- C7 H5 I N3 Se4 -","- C28 H20 I4 N12 Se16 -","4","0.5","","Lekin, Kristina; Ogata, Kazuma; Maclean, Adrian; Mailman, Aaron; Winter, Stephen M.; Assoud, Abdeljalil; Mito, Masaki; Tse, John S.; Desgreniers, Serge; Hirao, Naohisa; Dube, Paul A.; Oakley, Richard T.","Pushing T<sub>C</sub> to 27.5 K in a heavy atom radical ferromagnet.","Chemical communications (Cambridge, England)","2016","52","96","13877","13880","10.1039/c6cc07142b","powder diffraction","x-ray","0.41358","Synchrotron","","","","","","","","0.07813","","3.18","","","","","","","has coordinates","234556","2020-10-21","18:00:00",""
"7125148","15.9908","0.0013","15.9908","","3.8382","0.0022","90","","90","","90","","981.4","0.6","293","2","293","2","","","","","","","","5","P -4 21 m","P -4 2ab","113","IBPSSEt","8-iodo-4-ethyl-4H-bis[1,2,3]diselenazolo[4,5-b:5',4'-e]pyridin-2-yl","","- C7 H5 I N3 Se4 -","- C7 H5 I N3 Se4 -","- C28 H20 I4 N12 Se16 -","4","0.5","","Lekin, Kristina; Ogata, Kazuma; Maclean, Adrian; Mailman, Aaron; Winter, Stephen M.; Assoud, Abdeljalil; Mito, Masaki; Tse, John S.; Desgreniers, Serge; Hirao, Naohisa; Dube, Paul A.; Oakley, Richard T.","Pushing T<sub>C</sub> to 27.5 K in a heavy atom radical ferromagnet.","Chemical communications (Cambridge, England)","2016","52","96","13877","13880","10.1039/c6cc07142b","powder diffraction","x-ray","0.41358","Synchrotron","","","","","","","","0.15558","","2.82","","","","","","","has coordinates","234556","2020-10-21","18:00:00",""
"7125149","15.9014","0.0014","15.9014","","3.784","0.0024","90","","90","","90","","956.8","0.6","293","2","293","2","","","","","","","","5","P -4 21 m","P -4 2ab","113","IBPSSEt","8-iodo-4-ethyl-4H-bis[1,2,3]diselenazolo[4,5-b:5',4'-e]pyridin-2-yl","","- C7 H5 I N3 Se4 -","- C7 H5 I N3 Se4 -","- C28 H20 I4 N12 Se16 -","4","0.5","","Lekin, Kristina; Ogata, Kazuma; Maclean, Adrian; Mailman, Aaron; Winter, Stephen M.; Assoud, Abdeljalil; Mito, Masaki; Tse, John S.; Desgreniers, Serge; Hirao, Naohisa; Dube, Paul A.; Oakley, Richard T.","Pushing T<sub>C</sub> to 27.5 K in a heavy atom radical ferromagnet.","Chemical communications (Cambridge, England)","2016","52","96","13877","13880","10.1039/c6cc07142b","powder diffraction","x-ray","0.41358","Synchrotron","","","","","","","","0.26072","","2.91","","","","","","","has coordinates","234556","2020-10-21","18:00:00",""
"7125150","15.8651","0.0016","15.8651","","3.765","0.0026","90","","90","","90","","947.7","0.7","293","2","293","2","","","","","","","","5","P -4 21 m","P -4 2ab","113","IBPSSEt","8-iodo-4-ethyl-4H-bis[1,2,3]diselenazolo[4,5-b:5',4'-e]pyridin-2-yl","","- C7 H5 I N3 Se4 -","- C7 H5 I N3 Se4 -","- C28 H20 I4 N12 Se16 -","4","0.5","","Lekin, Kristina; Ogata, Kazuma; Maclean, Adrian; Mailman, Aaron; Winter, Stephen M.; Assoud, Abdeljalil; Mito, Masaki; Tse, John S.; Desgreniers, Serge; Hirao, Naohisa; Dube, Paul A.; Oakley, Richard T.","Pushing T<sub>C</sub> to 27.5 K in a heavy atom radical ferromagnet.","Chemical communications (Cambridge, England)","2016","52","96","13877","13880","10.1039/c6cc07142b","powder diffraction","x-ray","0.41358","Synchrotron","","","","","","","","0.21246","","3.2","","","","","","","has coordinates","234556","2020-10-21","18:00:00",""
"7125151","15.7336","0.0018","15.7336","","3.7167","0.0027","90","","90","","90","","920.1","0.7","293","2","293","2","","","","","","","","5","P -4 21 m","P -4 2ab","113","IBPSSEt","8-iodo-4-ethyl-4H-bis[1,2,3]diselenazolo[4,5-b:5',4'-e]pyridin-2-yl","","- C7 H5 I N3 Se4 -","- C7 H5 I N3 Se4 -","- C28 H20 I4 N12 Se16 -","4","0.5","","Lekin, Kristina; Ogata, Kazuma; Maclean, Adrian; Mailman, Aaron; Winter, Stephen M.; Assoud, Abdeljalil; Mito, Masaki; Tse, John S.; Desgreniers, Serge; Hirao, Naohisa; Dube, Paul A.; Oakley, Richard T.","Pushing T<sub>C</sub> to 27.5 K in a heavy atom radical ferromagnet.","Chemical communications (Cambridge, England)","2016","52","96","13877","13880","10.1039/c6cc07142b","powder diffraction","x-ray","0.41358","Synchrotron","","","","","","","","0.16206","","3.5","","","","","","","has coordinates","234556","2020-10-21","18:00:00",""
"7125152","15.7128","0.0016","15.7128","","3.6914","0.0026","90","","90","","90","","911.4","0.6","293","2","293","2","","","","","","","","5","P -4 21 m","P -4 2ab","113","IBPSSEt","8-iodo-4-ethyl-4H-bis[1,2,3]diselenazolo[4,5-b:5',4'-e]pyridin-2-yl","","- C7 H5 I N3 Se4 -","- C7 H5 I N3 Se4 -","- C28 H20 I4 N12 Se16 -","4","0.5","","Lekin, Kristina; Ogata, Kazuma; Maclean, Adrian; Mailman, Aaron; Winter, Stephen M.; Assoud, Abdeljalil; Mito, Masaki; Tse, John S.; Desgreniers, Serge; Hirao, Naohisa; Dube, Paul A.; Oakley, Richard T.","Pushing T<sub>C</sub> to 27.5 K in a heavy atom radical ferromagnet.","Chemical communications (Cambridge, England)","2016","52","96","13877","13880","10.1039/c6cc07142b","powder diffraction","x-ray","0.41358","Synchrotron","","","","","","","","0.10699","","3.18","","","","","","","has coordinates","234556","2020-10-21","18:00:00",""
"7125153","15.6976","0.0015","15.6976","","3.6631","0.0023","90","","90","","90","","902.6","0.6","293","2","293","2","","","","","","","","5","P -4 21 m","P -4 2ab","113","IBPSSEt","8-iodo-4-ethyl-4H-bis[1,2,3]diselenazolo[4,5-b:5',4'-e]pyridin-2-yl","","- C7 H5 I N3 Se4 -","- C7 H5 I N3 Se4 -","- C28 H20 I4 N12 Se16 -","4","0.5","","Lekin, Kristina; Ogata, Kazuma; Maclean, Adrian; Mailman, Aaron; Winter, Stephen M.; Assoud, Abdeljalil; Mito, Masaki; Tse, John S.; Desgreniers, Serge; Hirao, Naohisa; Dube, Paul A.; Oakley, Richard T.","Pushing T<sub>C</sub> to 27.5 K in a heavy atom radical ferromagnet.","Chemical communications (Cambridge, England)","2016","52","96","13877","13880","10.1039/c6cc07142b","powder diffraction","x-ray","0.41358","synchrotron","","","","","","","","0.23704","","3.07","","","","","","","has coordinates","234556","2020-10-21","18:00:00",""
"7125154","15.6831","0.0015","15.6831","","3.6436","0.0024","90","","90","","90","","896.2","0.6","293","2","293","2","","","","","","","","5","P -4 21 m","P -4 2ab","113","IBPSSEt","8-iodo-4-ethyl-4H-bis[1,2,3]diselenazolo[4,5-b:5',4'-e]pyridin-2-yl","","- C7 H5 I N3 Se4 -","- C7 H5 I N3 Se4 -","- C28 H20 I4 N12 Se16 -","4","0.5","","Lekin, Kristina; Ogata, Kazuma; Maclean, Adrian; Mailman, Aaron; Winter, Stephen M.; Assoud, Abdeljalil; Mito, Masaki; Tse, John S.; Desgreniers, Serge; Hirao, Naohisa; Dube, Paul A.; Oakley, Richard T.","Pushing T<sub>C</sub> to 27.5 K in a heavy atom radical ferromagnet.","Chemical communications (Cambridge, England)","2016","52","96","13877","13880","10.1039/c6cc07142b","powder diffraction","x-ray","0.41358","Synchrotron","","","","","","","","0.171","","3.09","","","","","","","has coordinates","234556","2020-10-21","18:00:00",""
"7125155","16.4704","0.0006","16.4704","0.0006","4.2345","0.0002","90","","90","","90","","1148.71","0.08","296","2","296","2","","","","","","","","5","P -4 21 m","P -4 2ab","113","IBPSSEt","8-iodo-4-ethyl-4H-bis[1,2,3]diselenazolo[4,5-b:5',4'-e]pyridin-2-yl","","- C7 H5 I N3 Se4 -","- C7 H5 I N3 Se4 -","- C28 H20 I4 N12 Se16 -","4","0.5","","Lekin, Kristina; Ogata, Kazuma; Maclean, Adrian; Mailman, Aaron; Winter, Stephen M.; Assoud, Abdeljalil; Mito, Masaki; Tse, John S.; Desgreniers, Serge; Hirao, Naohisa; Dube, Paul A.; Oakley, Richard T.","Pushing T<sub>C</sub> to 27.5 K in a heavy atom radical ferromagnet.","Chemical communications (Cambridge, England)","2016","52","96","13877","13880","10.1039/c6cc07142b","","","0.71073","MoKα","","0.0974","0.0509","","","0.0711","0.082","","","","","","1.032","","","","has coordinates","234558","2020-10-21","18:00:00",""
"7125156","15.6261","0.0003","15.6261","0.0003","6.58142","0.00014","90","","90","","120","","1391.72","0.05","99.98","0.1","99.98","0.1","","","","","","","","5","P 31","P 31","144","","","","- C19 H18 Br N O4 -","- C19 H18 Br N O4 -","- C57 H54 Br3 N3 O12 -","3","1","","Donslund, Bjarke S.; Jessen, Nicolaj Inunnguaq; Jakobsen, Joakim Bøgelund; Monleón, Alicia; Nielsen, Rune Pagh; Jørgensen, Karl Anker","Enantioselective formation of cyclopropane spiroindenes from benzofulvenes by phase transfer catalysis.","Chemical communications (Cambridge, England)","2016","52","84","12474","12477","10.1039/c6cc07170h","","x-ray","0.71073","MoKα","","0.0374","0.0292","","","0.0491","0.0517","","","","","","1.05","","","","has coordinates","234560","2020-10-21","18:00:00",""
"7125157","21.3422","0.0002","9.8659","0.0001","19.6135","0.0002","90","","103.086","0.001","90","","4022.57","0.07","123","2","123","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C44 H60 K2 N2 O3 -","- C44 H60 K2 N2 O3 -","- C176 H240 K8 N8 O12 -","4","1","","Fuentes, M Ángeles; Martínez-Martínez, Antonio J; Kennedy, Alan R.; Mulvey, Robert E.","Revealing the remarkable structural diversity of the alkali metal transfer agents of the trans-calix[2]benzene[2]pyrrolide ligand.","Chemical communications (Cambridge, England)","2016","52","82","12199","12201","10.1039/c6cc07240b","","","1.54184","CuKα","","0.0466","0.0429","","","0.1134","0.1171","","","","","","1.023","","","","has coordinates,has disorder","234563","2020-10-21","18:00:00",""
"7125158","10.6922","0.0001","15.3289","0.0002","12.9982","0.0002","90","","90.058","0.001","90","","2130.4","0.05","123","2","123","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C48 H68 Li2 N2 O4 -","- C48 H68 Li2 N2 O4 -","- C96 H136 Li4 N4 O8 -","2","0.5","","Fuentes, M Ángeles; Martínez-Martínez, Antonio J; Kennedy, Alan R.; Mulvey, Robert E.","Revealing the remarkable structural diversity of the alkali metal transfer agents of the trans-calix[2]benzene[2]pyrrolide ligand.","Chemical communications (Cambridge, England)","2016","52","82","12199","12201","10.1039/c6cc07240b","","","1.54184","CuKα","","0.0549","0.0522","","","0.1426","0.1456","","","","","","1.029","","","","has coordinates","234563","2020-10-21","18:00:00",""
"7125159","10.30734","0.00017","27.6447","0.0004","14.8943","0.0003","90","","105.588","0.0017","90","","4087.94","0.13","170","2","170","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C44 H60 N2 Na2 O3 -","- C44 H60 N2 Na2 O3 -","- C176 H240 N8 Na8 O12 -","4","1","","Fuentes, M Ángeles; Martínez-Martínez, Antonio J; Kennedy, Alan R.; Mulvey, Robert E.","Revealing the remarkable structural diversity of the alkali metal transfer agents of the trans-calix[2]benzene[2]pyrrolide ligand.","Chemical communications (Cambridge, England)","2016","52","82","12199","12201","10.1039/c6cc07240b","","","1.54184","CuKα","","0.0598","0.0506","","","0.136","0.1448","","","","","","1.045","","","","has coordinates,has disorder","234563","2020-10-21","18:00:00",""
"7125160","10.2275","0.0002","35.0736","0.0006","19.991","0.0003","90","","90.758","0.001","90","","7170.4","0.2","123","2","123","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C40 H52 N2 Na2 O2 -","- C40 H52 N2 Na2 O2 -","- C320 H416 N16 Na16 O16 -","8","2","","Fuentes, M Ángeles; Martínez-Martínez, Antonio J; Kennedy, Alan R.; Mulvey, Robert E.","Revealing the remarkable structural diversity of the alkali metal transfer agents of the trans-calix[2]benzene[2]pyrrolide ligand.","Chemical communications (Cambridge, England)","2016","52","82","12199","12201","10.1039/c6cc07240b","","","1.54184","CuKα","","0.0576","0.0546","","","0.1509","0.1556","","","","","","1.029","","","","has coordinates,has disorder","290444","2024-03-12","09:55:30",""
"7125161","19.8237","0.0003","19.6671","0.0003","32.4878","0.0003","90","","90","","90","","12666.2","0.3","123","2","123","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C128 H144 N8 Na8 -","- C128 H144 N8 Na8 -","- C512 H576 N32 Na32 -","4","0.5","","Fuentes, M Ángeles; Martínez-Martínez, Antonio J; Kennedy, Alan R.; Mulvey, Robert E.","Revealing the remarkable structural diversity of the alkali metal transfer agents of the trans-calix[2]benzene[2]pyrrolide ligand.","Chemical communications (Cambridge, England)","2016","52","82","12199","12201","10.1039/c6cc07240b","","","1.54184","CuKα","","0.0626","0.0526","","","0.14","0.1484","","","","","","1.033","","","","has coordinates,has disorder","234563","2020-10-21","18:00:00",""
"7125162","10.4694","0.0002","16.0165","0.0004","20.7659","0.0006","109.148","0.003","102.765","0.002","92.213","0.002","3184.74","0.15","123","2","123","2","","","","","","","","5","P -1","-P 1","2","","","","- C72 H88 K4 N4 O2 -","- C72 H88 K4 N4 O2 -","- C144 H176 K8 N8 O4 -","2","1","","Fuentes, M Ángeles; Martínez-Martínez, Antonio J; Kennedy, Alan R.; Mulvey, Robert E.","Revealing the remarkable structural diversity of the alkali metal transfer agents of the trans-calix[2]benzene[2]pyrrolide ligand.","Chemical communications (Cambridge, England)","2016","52","82","12199","12201","10.1039/c6cc07240b","","","1.54184","CuKα","","0.0548","0.0439","","","0.1133","0.1221","","","","","","1.016","","","","has coordinates,has disorder","234563","2020-10-21","18:00:00",""
"7125168","5.7785","0.0012","9.7172","0.0019","14.76","0.003","90","","90","","90","","828.8","0.3","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C9 H8 N2 O -","- C9 H8 N2 O -","- C36 H32 N8 O4 -","4","1","","Tang, Baolei; Zhang, Houyu; Ye, Kaiqi; Zhang, Hongyu; Wang, Yue","Highly efficient blue solid emitters and tautomerization-induced ON/OFF fluorescence switching based on structurally simple 3(5)-phenol-1H-pyrazoles.","Chemical communications (Cambridge, England)","2016","52","89","13128","13131","10.1039/c6cc07300j","","","0.71073","MoKα","","0.0467","0.0348","","","0.0886","0.0943","","","","","","1.024","","","","has coordinates","234570","2020-10-21","18:00:00",""
"7125169","3.7769","0.0005","10.7326","0.0013","19.387","0.003","90","","90","","90","","785.87","0.19","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C9 H7 F N2 O -","- C9 H7 F N2 O -","- C36 H28 F4 N8 O4 -","4","1","","Tang, Baolei; Zhang, Houyu; Ye, Kaiqi; Zhang, Hongyu; Wang, Yue","Highly efficient blue solid emitters and tautomerization-induced ON/OFF fluorescence switching based on structurally simple 3(5)-phenol-1H-pyrazoles.","Chemical communications (Cambridge, England)","2016","52","89","13128","13131","10.1039/c6cc07300j","","","0.71073","MoKα","","0.0724","0.0535","","","0.1112","0.1219","","","","","","1.08","","","","has coordinates","234570","2020-10-21","18:00:00",""
"7125170","5.6704","0.0011","10.076","0.002","16.296","0.003","90","","90","","90","","931.1","0.3","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C10 H10 N2 O2 -","- C10 H10 N2 O2 -","- C40 H40 N8 O8 -","4","1","","Tang, Baolei; Zhang, Houyu; Ye, Kaiqi; Zhang, Hongyu; Wang, Yue","Highly efficient blue solid emitters and tautomerization-induced ON/OFF fluorescence switching based on structurally simple 3(5)-phenol-1H-pyrazoles.","Chemical communications (Cambridge, England)","2016","52","89","13128","13131","10.1039/c6cc07300j","","","0.71073","MoKα","","0.0432","0.0349","","","0.0917","0.0959","","","","","","0.917","","","","has coordinates","234570","2020-10-21","18:00:00",""
"7125171","7.769","0.0016","11.243","0.002","10.244","0.002","90","","100.15","0.03","90","","880.8","0.3","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C10 H10 N2 O -","- C10 H10 N2 O -","- C40 H40 N8 O4 -","4","1","","Tang, Baolei; Zhang, Houyu; Ye, Kaiqi; Zhang, Hongyu; Wang, Yue","Highly efficient blue solid emitters and tautomerization-induced ON/OFF fluorescence switching based on structurally simple 3(5)-phenol-1H-pyrazoles.","Chemical communications (Cambridge, England)","2016","52","89","13128","13131","10.1039/c6cc07300j","","","0.71073","MoKα","","0.0652","0.051","","","0.1441","0.1489","","","","","","1.082","","","","has coordinates","234570","2020-10-21","18:00:00",""
"7125172","6.4559","0.0004","12.3783","0.0006","22.5131","0.0013","90","","90","","90","","1799.09","0.18","173","","173","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C14 H24 O P2 S2 -","- C14 H24 O P2 S2 -","- C56 H96 O4 P8 S8 -","4","1","","Arisawa, Mieko; Yamada, Tomoki; Tanii, Saori; Kawada, Yuta; Hashimoto, Hisako; Yamaguchi, Masahiko","Rhodium-catalyzed P-P bond exchange reaction of diphosphine disulfides.","Chemical communications (Cambridge, England)","2016","52","93","13580","13583","10.1039/c6cc07302f","","","0.71075","MoKα","","0.1078","0.0606","","","0.1067","0.1536","","","","","","1.061","","","","has coordinates","234572","2020-10-21","18:00:00",""
"7125173","9.3474","0.0007","7.1672","0.0004","13.3103","0.0008","90","","101.49","0.002","90","","873.85","0.1","173","","173","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H20 P2 S2 -","- C16 H20 P2 S2 -","- C32 H40 P4 S4 -","2","0.5","","Arisawa, Mieko; Yamada, Tomoki; Tanii, Saori; Kawada, Yuta; Hashimoto, Hisako; Yamaguchi, Masahiko","Rhodium-catalyzed P-P bond exchange reaction of diphosphine disulfides.","Chemical communications (Cambridge, England)","2016","52","93","13580","13583","10.1039/c6cc07302f","","","0.71075","MoKα","","0.0498","0.0391","","","0.0964","0.1213","","","","","","1.268","","","","has coordinates","234572","2020-10-21","18:00:00",""
"7125174","9.1542","0.0014","16.965","0.0015","10.682","0.002","90","","90","","90","","1658.9","0.4","173","","173","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C15 H18 P2 S2 -","- C15 H18 P2 S2 -","- C60 H72 P8 S8 -","4","0.5","","Arisawa, Mieko; Yamada, Tomoki; Tanii, Saori; Kawada, Yuta; Hashimoto, Hisako; Yamaguchi, Masahiko","Rhodium-catalyzed P-P bond exchange reaction of diphosphine disulfides.","Chemical communications (Cambridge, England)","2016","52","93","13580","13583","10.1039/c6cc07302f","","","0.71075","MoKα","","0.2095","0.1403","","","0.3766","0.4216","","","","","","1.31","","","","has coordinates,has disorder","234572","2020-10-21","18:00:00",""
"7125175","12.7728","0.0005","8.2427","0.0003","14.1842","0.0006","90","","103.024","0.004","90","","1454.93","0.1","150.01","0.1","150.01","0.1","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C17 H24 O2 -","- C17 H24 O2 -","- C68 H96 O8 -","4","1","","Plesniak, Mateusz P.; Just-Baringo, Xavier; Ortu, Fabrizio; Mills, David P.; Procter, David J.","SmCp<sup>R</sup><sub>2</sub>-mediated cross-coupling of allyl and propargyl ethers with ketoesters and a telescoped approach to complex cycloheptanols.","Chemical communications (Cambridge, England)","2016","52","92","13503","13506","10.1039/c6cc07318b","","x-ray","0.71073","MoKα","","0.0661","0.0473","","","0.1088","0.122","","","","","","1.038","","","","has coordinates","234575","2020-10-21","18:00:00",""
"7125176","8.9679","0.0013","11.9038","0.0016","14.801","0.002","91.758","0.011","94.311","0.012","110.931","0.013","1468.8","0.4","150.01","0.11","150.01","0.11","","","","","","","","3","P -1","-P 1","2","","","","- C17 H22 O2 -","- C17 H22 O2 -","- C68 H88 O8 -","4","2","","Plesniak, Mateusz P.; Just-Baringo, Xavier; Ortu, Fabrizio; Mills, David P.; Procter, David J.","SmCp<sup>R</sup><sub>2</sub>-mediated cross-coupling of allyl and propargyl ethers with ketoesters and a telescoped approach to complex cycloheptanols.","Chemical communications (Cambridge, England)","2016","52","92","13503","13506","10.1039/c6cc07318b","","x-ray","0.71073","MoKα","","0.1904","0.0816","","","0.1566","0.2048","","","","","","1.027","","","","has coordinates,has disorder","234575","2020-10-21","18:00:00",""
"7125177","11.6326","0.0006","13.777","0.0007","21.1559","0.0014","90","","90","","90","","3390.5","0.3","150.02","0.1","150.02","0.1","","","","","","","","5","C m c 21","C 2c -2","36","","","","- C27 H51 O Si4 Sm -","- C27 H51 O Si4 Sm -","- C108 H204 O4 Si16 Sm4 -","4","0.5","","Plesniak, Mateusz P.; Just-Baringo, Xavier; Ortu, Fabrizio; Mills, David P.; Procter, David J.","SmCp<sup>R</sup><sub>2</sub>-mediated cross-coupling of allyl and propargyl ethers with ketoesters and a telescoped approach to complex cycloheptanols.","Chemical communications (Cambridge, England)","2016","52","92","13503","13506","10.1039/c6cc07318b","","x-ray","0.71073","MoKα","","0.0673","0.053","","","0.0976","0.105","","","","","","1.059","","","","has coordinates,has disorder","234575","2020-10-21","18:00:00",""
"7125178","11.287","0.0003","22.3415","0.0007","16.921","0.0005","90","","97.974","0.003","90","","4225.7","0.2","150.01","0.13","150.01","0.13","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C32 H66 O Si6 Sm -","- C32 H66 O Si6 Sm -","- C128 H264 O4 Si24 Sm4 -","4","1","","Plesniak, Mateusz P.; Just-Baringo, Xavier; Ortu, Fabrizio; Mills, David P.; Procter, David J.","SmCp<sup>R</sup><sub>2</sub>-mediated cross-coupling of allyl and propargyl ethers with ketoesters and a telescoped approach to complex cycloheptanols.","Chemical communications (Cambridge, England)","2016","52","92","13503","13506","10.1039/c6cc07318b","","","0.71073","MoKα","","0.0633","0.0438","","","0.0846","0.0918","","","","","","1.043","","","","has coordinates","234575","2020-10-21","18:00:00",""
"7125179","13.1871","0.0002","13.1871","0.0002","11.4268","0.0004","90","","90","","90","","1987.12","0.08","150.03","0.1","150.03","0.1","","","","","","","","5","I -4","I -4","82","","","","- C44 H50 O2 Si2 Sm -","- C44 H50 O2 Si2 Sm -","- C88 H100 O4 Si4 Sm2 -","2","0.25","","Plesniak, Mateusz P.; Just-Baringo, Xavier; Ortu, Fabrizio; Mills, David P.; Procter, David J.","SmCp<sup>R</sup><sub>2</sub>-mediated cross-coupling of allyl and propargyl ethers with ketoesters and a telescoped approach to complex cycloheptanols.","Chemical communications (Cambridge, England)","2016","52","92","13503","13506","10.1039/c6cc07318b","","x-ray","0.71073","MoKα","","0.0729","0.0729","","","0.1842","0.1842","","","","","","1.101","","","","has coordinates,has disorder","234575","2020-10-21","18:00:00",""
"7125180","17.123","0.0006","9.6421","0.0003","27.6291","0.0011","90","","99.283","0.004","90","","4501.9","0.3","120","3","120","3","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C54 H54 O2 Si2 Sm -","- C54 H54 O2 Si2 Sm -","- C216 H216 O8 Si8 Sm4 -","4","1","","Plesniak, Mateusz P.; Just-Baringo, Xavier; Ortu, Fabrizio; Mills, David P.; Procter, David J.","SmCp<sup>R</sup><sub>2</sub>-mediated cross-coupling of allyl and propargyl ethers with ketoesters and a telescoped approach to complex cycloheptanols.","Chemical communications (Cambridge, England)","2016","52","92","13503","13506","10.1039/c6cc07318b","","x-ray","0.71073","MoKα","","0.0726","0.0624","","","0.1514","0.1586","","","","","","1.081","","","","has coordinates","234575","2020-10-21","18:00:00",""
"7125181","12.0223","0.0003","15.7744","0.0004","15.908","0.0004","61.685","0.002","76.21","0.002","82.022","0.002","2578.18","0.12","200","1","200","1","","","","","","","","4","P 1","P 1","1","","","","- C48 H75 N3 O9 -","- C48 H75 N3 O9 -","- C96 H150 N6 O18 -","2","2","","Caumes, Xavier; Baldi, Arianna; Gontard, Geoffrey; Brocorens, Patrick; Lazzaroni, Roberto; Vanthuyne, Nicolas; Troufflard, Claire; Raynal, Matthieu; Bouteiller, Laurent","Tuning the structure of 1,3,5-benzene tricarboxamide self-assemblies through stereochemistry.","Chemical communications (Cambridge, England)","2016","52","91","13369","13372","10.1039/c6cc07325e","","","1.54178","CuKα","","0.0478","0.0411","","","0.1074","0.1127","","","","","","1.024","","","","has coordinates","234578","2020-10-21","18:00:00",""
"7125182","11.5502","0.0004","15.7414","0.0005","15.8302","0.0005","61.491","0.002","83.352","0.002","79.502","0.002","2485.47","0.15","200","1","200","1","","","","","","","","4","P 1","P 1","1","","","","- C45.5 H70.75 N3.25 O9.5 -","- C45.5 H70.75 N3.25 O9.5 -","- C91 H141.5 N6.5 O19 -","2","2","","Caumes, Xavier; Baldi, Arianna; Gontard, Geoffrey; Brocorens, Patrick; Lazzaroni, Roberto; Vanthuyne, Nicolas; Troufflard, Claire; Raynal, Matthieu; Bouteiller, Laurent","Tuning the structure of 1,3,5-benzene tricarboxamide self-assemblies through stereochemistry.","Chemical communications (Cambridge, England)","2016","52","91","13369","13372","10.1039/c6cc07325e","","","1.54178","CuKα","","0.0446","0.0436","","","0.1219","0.1234","","","","","","1.047","","","","has coordinates,has disorder","234578","2020-10-21","18:00:00",""
"7125183","17.6253","0.0007","13.6069","0.0005","24.0534","0.0007","90","","101.343","0.002","90","","5655.9","0.3","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C62 H44 Mo4 N22 Ni S2 -","- C62 H44 Mo4 N22 Ni S2 -","- C248 H176 Mo16 N88 Ni4 S8 -","4","0.5","","Hung, Wei-Chieh; Sigrist, Marc; Hua, Shao-An; Wu, Lai-Chin; Liu, Tsai-Jung; Jin, Bih-Yaw; Lee, Gene-Hsiang; Peng, Shie-Ming","A heteropentanuclear metal string complex [Mo<sub>2</sub>NiMo<sub>2</sub>(tpda)<sub>4</sub>(NCS)<sub>2</sub>] with two linearly aligned quadruply bonded Mo<sub>2</sub> units connected by a Ni ion and a meso configuration of the complex.","Chemical communications (Cambridge, England)","2016","52","83","12380","12382","10.1039/c6cc07364f","","","0.71073","MoKα","","0.0887","0.0484","","","0.1184","0.1346","","","","","","1.013","","","","has coordinates","234580","2020-10-21","18:00:00",""
"7125184","12.769","0.002","13.1625","0.0014","20.932","0.003","76.406","0.01","80.735","0.012","63.678","0.009","3058.5","0.8","150","2","150","","","","","","","","","5","P -1","-P 1","2","","","","- C59 H88 N5 O Sm -","- C59 H88 N5 O Sm -","- C118 H176 N10 O2 Sm2 -","2","1","","Schoo, Christoph; Bestgen, Sebastian; Schmidt, Monika; Konchenko, Sergey N.; Scheer, Manfred; Roesky, Peter W.","Sterically induced reductive linkage of iron polypnictides with bulky lanthanide complexes by ring-opening of THF.","Chemical communications (Cambridge, England)","2016","52","90","13217","13220","10.1039/c6cc07367k","","","0.71073","MoKα","","0.0652","0.0397","","","0.0689","0.0734","","","","","","0.832","","","","has coordinates","234583","2020-10-21","18:00:00",""
"7125185","13.1985","0.001","20.5277","0.0009","24.6698","0.0012","108.733","0.004","93.697","0.005","93.654","0.005","6291.4","0.7","150","","150","","","","","","","","","7","P -1","-P 1","2","","","","- C125 H187 As5 Fe N8 O2 Sm2 -","- C125 H187 As5 Fe N8 O2 Sm2 -","- C250 H374 As10 Fe2 N16 O4 Sm4 -","2","1","","Schoo, Christoph; Bestgen, Sebastian; Schmidt, Monika; Konchenko, Sergey N.; Scheer, Manfred; Roesky, Peter W.","Sterically induced reductive linkage of iron polypnictides with bulky lanthanide complexes by ring-opening of THF.","Chemical communications (Cambridge, England)","2016","52","90","13217","13220","10.1039/c6cc07367k","","","0.71073","MoKα","","0.0835","0.0381","","","0.0621","0.0709","","","","","","0.86","","","","has coordinates","234583","2020-10-21","18:00:00",""
"7125186","13.12","0.003","20.386","0.004","24.637","0.005","109.26","0.03","93.54","0.03","93.97","0.03","6181","3","110","2","110","","","","","","","","","7","P -1","-P 1","2","","","","- C125 H187 Fe N8 O2 P5 Sm2 -","- C125 H187 Fe N8 O2 P5 Sm2 -","- C250 H374 Fe2 N16 O4 P10 Sm4 -","2","1","","Schoo, Christoph; Bestgen, Sebastian; Schmidt, Monika; Konchenko, Sergey N.; Scheer, Manfred; Roesky, Peter W.","Sterically induced reductive linkage of iron polypnictides with bulky lanthanide complexes by ring-opening of THF.","Chemical communications (Cambridge, England)","2016","52","90","13217","13220","10.1039/c6cc07367k","","","0.71073","MoKα","","0.0555","0.0344","","","0.0662","0.0702","","","","","","0.85","","","","has coordinates","234583","2020-10-21","18:00:00",""
"7125187","28.8213","0.0016","3.9568","0.0002","22.0852","0.0014","90","","101.2","0.003","90","","2470.6","0.2","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C30 H16 Br4 N2 -","- C30 H16 Br4 N2 -","- C120 H64 Br16 N8 -","4","0.5","","Colin-Molina, Abraham; Pérez-Estrada, Salvador; Roa, Arian E.; Villagrana-Garcia, Alvin; Hernández-Ortega, Simón; Rodríguez, Mario; Brown, Stuart E.; Rodríguez-Molina, Braulio","Isotropic rotation in amphidynamic crystals of stacked carbazole-based rotors featuring halogen-bonded stators.","Chemical communications (Cambridge, England)","2016","52","87","12833","12836","10.1039/c6cc07379d","","","0.71073","MoKα","","0.0792","0.0415","","","0.0774","0.0887","","","","","","0.992","","","","has coordinates","234585","2020-10-21","18:00:00",""
"7125188","28.561","0.003","3.8983","0.0004","22.009","0.002","90","","100.956","0.002","90","","2405.8","0.4","150","2","150","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C30 H16 Br4 N2 -","- C30 H16 Br4 N2 -","- C120 H64 Br16 N8 -","4","0.5","","Colin-Molina, Abraham; Pérez-Estrada, Salvador; Roa, Arian E.; Villagrana-Garcia, Alvin; Hernández-Ortega, Simón; Rodríguez, Mario; Brown, Stuart E.; Rodríguez-Molina, Braulio","Isotropic rotation in amphidynamic crystals of stacked carbazole-based rotors featuring halogen-bonded stators.","Chemical communications (Cambridge, England)","2016","52","87","12833","12836","10.1039/c6cc07379d","","","0.71073","MoKα","","0.0489","0.0334","","","0.0596","0.0641","","","","","","0.976","","","","has coordinates","234585","2020-10-21","18:00:00",""
"7125189","28.6436","0.0014","3.9085","0.0002","22.0408","0.001","90","","101.063","0.0014","90","","2421.7","0.2","180","2","180","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C30 H16 Br4 N2 -","- C30 H16 Br4 N2 -","- C120 H64 Br16 N8 -","4","0.5","","Colin-Molina, Abraham; Pérez-Estrada, Salvador; Roa, Arian E.; Villagrana-Garcia, Alvin; Hernández-Ortega, Simón; Rodríguez, Mario; Brown, Stuart E.; Rodríguez-Molina, Braulio","Isotropic rotation in amphidynamic crystals of stacked carbazole-based rotors featuring halogen-bonded stators.","Chemical communications (Cambridge, England)","2016","52","87","12833","12836","10.1039/c6cc07379d","","","0.71073","MoKα","","0.0835","0.058","","","0.0926","0.1018","","","","","","1.252","","","","has coordinates","234585","2020-10-21","18:00:00",""
"7125190","28.6762","0.001","3.9157","0.0001","22.0307","0.0007","90","","101.079","0.0011","90","","2427.67","0.13","209","2","209","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C30 H16 Br4 N2 -","- C30 H16 Br4 N2 -","- C120 H64 Br16 N8 -","4","0.5","","Colin-Molina, Abraham; Pérez-Estrada, Salvador; Roa, Arian E.; Villagrana-Garcia, Alvin; Hernández-Ortega, Simón; Rodríguez, Mario; Brown, Stuart E.; Rodríguez-Molina, Braulio","Isotropic rotation in amphidynamic crystals of stacked carbazole-based rotors featuring halogen-bonded stators.","Chemical communications (Cambridge, England)","2016","52","87","12833","12836","10.1039/c6cc07379d","","","0.71073","MoKα","","0.0638","0.0438","","","0.0851","0.0971","","","","","","1.137","","","","has coordinates","234585","2020-10-21","18:00:00",""
"7125191","28.708","0.0013","3.9259","0.0002","22.0256","0.001","90","","101.117","0.0015","90","","2435.8","0.2","240","2","240","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C30 H16 Br4 N2 -","- C30 H16 Br4 N2 -","- C120 H64 Br16 N8 -","4","0.5","","Colin-Molina, Abraham; Pérez-Estrada, Salvador; Roa, Arian E.; Villagrana-Garcia, Alvin; Hernández-Ortega, Simón; Rodríguez, Mario; Brown, Stuart E.; Rodríguez-Molina, Braulio","Isotropic rotation in amphidynamic crystals of stacked carbazole-based rotors featuring halogen-bonded stators.","Chemical communications (Cambridge, England)","2016","52","87","12833","12836","10.1039/c6cc07379d","","","0.71073","MoKα","","0.0717","0.0491","","","0.0953","0.1074","","","","","","1.134","","","","has coordinates","234585","2020-10-21","18:00:00",""
"7125192","28.7391","0.0014","3.9377","0.0002","22.0251","0.001","90","","101.118","0.0015","90","","2445.7","0.2","269","2","269","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C30 H16 Br4 N2 -","- C30 H16 Br4 N2 -","- C120 H64 Br16 N8 -","4","0.5","","Colin-Molina, Abraham; Pérez-Estrada, Salvador; Roa, Arian E.; Villagrana-Garcia, Alvin; Hernández-Ortega, Simón; Rodríguez, Mario; Brown, Stuart E.; Rodríguez-Molina, Braulio","Isotropic rotation in amphidynamic crystals of stacked carbazole-based rotors featuring halogen-bonded stators.","Chemical communications (Cambridge, England)","2016","52","87","12833","12836","10.1039/c6cc07379d","","","0.71073","MoKα","","0.093","0.0579","","","0.1097","0.1269","","","","","","1.098","","","","has coordinates","234585","2020-10-21","18:00:00",""
"7125193","21.381","0.008","12.571","0.004","16.69","0.006","90","","117.251","0.008","90","","3988","2","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C25 H18 F3 N3 -","- C25 H18 F3 N3 -","- C200 H144 F24 N24 -","8","1","","Yu, Liu-Zhu; Wei, Yin; Shi, Min","Copper-catalyzed cascade cyclization of 1,5-enynes via consecutive trifluoromethylazidation/diazidation and click reaction: self-assembly of triazole fused isoindolines.","Chemical communications (Cambridge, England)","2016","52","89","13163","13166","10.1039/c6cc07394h","","","0.71073","MoKα","","0.0823","0.0516","","","0.125","0.1386","","","","","","1.046","","","","has coordinates","234587","2020-10-21","18:00:00",""
"7125194","8.1858","0.001","10.1508","0.0013","22.15","0.003","89.88","0.003","83.44","0.003","78.898","0.003","1793.9","0.4","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- C44 H32 N12 -","- C44 H32 N12 -","- C88 H64 N24 -","2","1","","Yu, Liu-Zhu; Wei, Yin; Shi, Min","Copper-catalyzed cascade cyclization of 1,5-enynes via consecutive trifluoromethylazidation/diazidation and click reaction: self-assembly of triazole fused isoindolines.","Chemical communications (Cambridge, England)","2016","52","89","13163","13166","10.1039/c6cc07394h","","","0.71073","MoKα","","0.1086","0.0622","","","0.1446","0.172","","","","","","0.983","","","","has coordinates","234587","2020-10-21","18:00:00",""
"7125195","12.4144","0.0003","17.9604","0.0004","33.3206","0.0006","97.426","0.002","96.076","0.002","105.19","0.002","7033.5","0.3","100","1","100","1","","","","","","","","5","P -1","-P 1","2","[PdCl2{Bn-tzl-HPB(tBu)5}2]","Dichlorobis(3-benzyl-5-[4-{2,3,4,5,6-penta(4-tert-butylphenyl)phenyl}phenyl]-1,2,3-triazole)palladium(II) hepta(dichloromethane) solvate","","- C149 H168 Cl16 N6 Pd -","- C149 H168 Cl16 N6 Pd -","- C298 H336 Cl32 N12 Pd2 -","2","1","","Wright, James R.; Crowley, James D.; Lucas, Nigel T.","Carbon-rich ""Click"" 1,2,3-triazoles: hexaphenylbenzene and hexa-peri-hexabenzocoronene-based ligands for Suzuki-Miyaura catalysts.","Chemical communications (Cambridge, England)","2016","52","88","12976","12979","10.1039/c6cc07413h","","","1.54184","CuKα","","0.1214","0.1102","","","0.2992","0.31","","","","","","1.049","","","","has coordinates","234589","2020-10-21","18:00:00",""
"7125196","22.053","0.0006","39.391","0.003","14.3467","0.0006","90","","99.711","0.003","90","","12284.3","1.1","100","1","100","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","[PdCl2{Bn-tzl-HBC(tBu)5}2]","Dichlorobis(1-benzyl-4-[5,8,11,14,17-penta(tert-butyl)-2-hexa-peri-hexabenzocoronenyl]-1,2,3-triazole)palladium(II)","","- C142 H130 Cl2 N6 Pd -","- C142 H130 Cl2 N6 Pd -","- C568 H520 Cl8 N24 Pd4 -","4","1","","Wright, James R.; Crowley, James D.; Lucas, Nigel T.","Carbon-rich ""Click"" 1,2,3-triazoles: hexaphenylbenzene and hexa-peri-hexabenzocoronene-based ligands for Suzuki-Miyaura catalysts.","Chemical communications (Cambridge, England)","2016","52","88","12976","12979","10.1039/c6cc07413h","","","1.54184","CuKα","","0.1571","0.0795","","","0.168","0.2007","","","","","","0.89","","","","has coordinates","234589","2020-10-21","18:00:00",""
"7125197","14.6518","0.0002","16.6609","0.0002","33.4649","0.0004","97.604","0.001","92.496","0.001","92.487","0.001","8079.7","0.18","100","1","100","1","","","","","","","","5","P -1","-P 1","2","[PdBr2(iPr2-bimy){Bn-tzl-HBC(tBu5)}]","Dibromo(1,3-diisopropylbenzimidazol-2-ylidene){1-benzyl-4-(5,8,11,14,17-penta-tert-butylhexa-peri-hexabenzocoronenyl)-1H-1,2,3-triazole}palladium(II)","","- C168 H166 Br4 N10 Pd2 -","- C168 H166 Br4 N10 Pd2 -","- C336 H332 Br8 N20 Pd4 -","2","1","","Wright, James R.; Crowley, James D.; Lucas, Nigel T.","Carbon-rich ""Click"" 1,2,3-triazoles: hexaphenylbenzene and hexa-peri-hexabenzocoronene-based ligands for Suzuki-Miyaura catalysts.","Chemical communications (Cambridge, England)","2016","52","88","12976","12979","10.1039/c6cc07413h","","","1.54184","CuKα","","0.0565","0.0478","","","0.1217","0.1268","","","","","","1.039","","","","has coordinates,has disorder","234589","2020-10-21","18:00:00",""
"7125198","12.0143","0.0003","8.3594","0.0002","19.0526","0.0005","90","","90.316","0.002","90","","1913.47","0.08","104","4","104","4","","","","","","","synthesis","3","P 1 21/c 1","-P 2ybc","14","8ah","rac-(4S,5aS,10bS)-5-benzyl-4-(tert-butyl)-1,2,4,5,5a,6-hexahydropyrrolo[3',2':3,4]pyrrolo[2,3-b]indole","","- C23 H27 N3 -","- C23 H27 N3 -","- C92 H108 N12 -","4","1","","Saya, Jordy M.; Oppelaar, Barry; Cioc, Răzvan C; van der Heijden, Gydo; Vande Velde, Christophe M. L.; Orru, Romano V. A.; Ruijter, Eelco","Synthesis of polycyclic spiroindolines by highly diastereoselective interrupted Ugi cascade reactions of 3-(2-isocyanoethyl)indoles.","Chemical communications (Cambridge, England)","2016","52","84","12482","12485","10.1039/c6cc07459f","","x-ray","1.54184","CuKα","","0.0637","0.0553","","","0.148","0.166","","","","","","1.035","","","","has coordinates","234591","2020-10-21","18:00:00",""
"7125199","7.0179","0.0003","13.5605","0.0006","14.8661","0.0007","90","","96.427","0.002","90","","1405.86","0.11","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","[Li([12]crown-4)OTf]","","- C9 H16 F3 Li O7 S -","- C9 H16 F3 Li O7 S -","- C36 H64 F12 Li4 O28 S4 -","4","1","","Reuter, Kirsten; Thiele, Günther; Hafner, Thomas; Uhlig, Frank; von Hänisch, Carsten","Synthesis and coordination ability of a partially silicon based crown ether.","Chemical communications (Cambridge, England)","2016","52","90","13265","13268","10.1039/c6cc07520g","","","0.71073","MoKα","","0.0296","0.0259","","","0.0646","0.0663","","","","","","1.087","","","","has coordinates,has disorder","234595","2020-10-21","18:00:00",""
"7125200","14.6745","0.0007","24.0048","0.0011","32.5952","0.0014","90","","90","","90","","11481.9","0.9","100","2","100","2","","","","","","","","8","P b c a","-P 2ac 2ab","61","","","","- C14 H34 Cl2 F3 Li O7 S Si4 -","- C14 H34 Cl2 F3 Li O7 S Si4 -","- C224 H544 Cl32 F48 Li16 O112 S16 Si64 -","16","2","","Reuter, Kirsten; Thiele, Günther; Hafner, Thomas; Uhlig, Frank; von Hänisch, Carsten","Synthesis and coordination ability of a partially silicon based crown ether.","Chemical communications (Cambridge, England)","2016","52","90","13265","13268","10.1039/c6cc07520g","","","0.71073","MoKα","","0.0763","0.0534","","","0.1174","0.1273","","","","","","1.04","","","","has coordinates","234595","2020-10-21","18:00:00",""
"7125201","6.26161","0.00011","25.924","0.0005","8.62429","0.00016","90","","102.226","0.0007","90","","1368.19","0.04","213","","213","","","","","","","","","6","P 1 21 1","P 2yb","4","","(E)-4-((4-aminophenyl)diazenyl)benzenesulfonic acid/(R)-1-(4-chlorophenyl)ethan-1-amine/N,N-diethylformamide","","- C25 H32 Cl N5 O4 S -","- C25 H32 Cl N5 O4 S -","- C50 H64 Cl2 N10 O8 S2 -","2","1","","Miyano, Tetsuya; Sakai, Tatsuya; Hisaki, Ichiro; Ichida, Hideki; Kanematsu, Yasuo; Tohnai, Norimitsu","Hierarchical construction of SHG-active polar crystals by using multi-component crystals.","Chemical communications (Cambridge, England)","2016","52","94","13710","13713","10.1039/c6cc07544d","","","1.54187","CuKα","","0.0844","0.0739","","","0.1847","0.2054","","","","","","1.07","","","","has coordinates","234599","2020-10-21","18:00:00",""
"7125202","5.8245","0.0003","7.5038","0.0004","13.8162","0.0004","94.785","0.003","94.97","0.003","95.755","0.004","595.96","0.05","213","","213","","","","","","","","","5","P -1","-P 1","2","","(E)-4-((4-aminophenyl)diazenyl)benzenesulfonic acid","","- C12 H11 N3 O3 S -","- C12 H11 N3 O3 S -","- C24 H22 N6 O6 S2 -","2","1","","Miyano, Tetsuya; Sakai, Tatsuya; Hisaki, Ichiro; Ichida, Hideki; Kanematsu, Yasuo; Tohnai, Norimitsu","Hierarchical construction of SHG-active polar crystals by using multi-component crystals.","Chemical communications (Cambridge, England)","2016","52","94","13710","13713","10.1039/c6cc07544d","","","1.54187","CuKα","","0.0615","0.056","","","0.1506","0.1549","","","","","","1.072","","","","has coordinates","234599","2020-10-21","18:00:00",""
"7125203","5.94757","0.00014","9.5911","0.0002","11.4509","0.0003","83.8975","0.0016","82.015","0.0015","71.9997","0.0015","613.81","0.03","213","","213","","","","","","","","","6","P 1","P 1","1","","(E)-4-((4-aminophenyl)diazenyl)benzenesulfonic acid/(R)-1-(4-chlorophenyl)ethan-1-amine/N,N-dimethylformamide","","- C23 H28 Cl N5 O4 S -","- C23 H28 Cl N5 O4 S -","- C23 H28 Cl N5 O4 S -","1","1","","Miyano, Tetsuya; Sakai, Tatsuya; Hisaki, Ichiro; Ichida, Hideki; Kanematsu, Yasuo; Tohnai, Norimitsu","Hierarchical construction of SHG-active polar crystals by using multi-component crystals.","Chemical communications (Cambridge, England)","2016","52","94","13710","13713","10.1039/c6cc07544d","","","1.54187","CuKα","","0.0964","0.0851","","","0.2281","0.2643","","","","","","1.076","","","","has coordinates","234599","2020-10-21","18:00:00",""
"7125204","6.11235","0.00013","28.1898","0.0006","7.71338","0.00017","90","","92.9285","0.0013","90","","1327.33","0.05","213","","213","","","","","","","","","6","P 1 21 1","P 2yb","4","","(E)-4-((4-aminophenyl)diazenyl)benzenesulfonic acid/(R)-1-(4-chlorophenyl)ethan-1-amine/N,N-dimethylacetamide","","- C24 H30 Cl N5 O4 S -","- C24 H30 Cl N5 O4 S -","- C48 H60 Cl2 N10 O8 S2 -","2","1","","Miyano, Tetsuya; Sakai, Tatsuya; Hisaki, Ichiro; Ichida, Hideki; Kanematsu, Yasuo; Tohnai, Norimitsu","Hierarchical construction of SHG-active polar crystals by using multi-component crystals.","Chemical communications (Cambridge, England)","2016","52","94","13710","13713","10.1039/c6cc07544d","","","1.54187","CuKα","","0.1583","0.1118","","","0.2752","0.3381","","","","","","1.078","","","","has coordinates","234599","2020-10-21","18:00:00",""
"7125205","5.99452","0.00011","23.7139","0.0004","9.33438","0.00017","90","","108.528","0.0011","90","","1258.14","0.04","213","","213","","","","","","","","","6","P 1 21 1","P 2yb","4","","(E)-4-((4-aminophenyl)diazenyl)benzenesulfonic acid/(R)-1-(4-chlorophenyl)ethan-1-amine/dimethyl sulfoxide","","- C22 H27 Cl N4 O4 S2 -","- C22 H27 Cl N4 O4 S2 -","- C44 H54 Cl2 N8 O8 S4 -","2","1","","Miyano, Tetsuya; Sakai, Tatsuya; Hisaki, Ichiro; Ichida, Hideki; Kanematsu, Yasuo; Tohnai, Norimitsu","Hierarchical construction of SHG-active polar crystals by using multi-component crystals.","Chemical communications (Cambridge, England)","2016","52","94","13710","13713","10.1039/c6cc07544d","","","1.54187","CuKα","","0.1164","0.0789","","","0.1667","0.2167","","","","","","1.086","","","","has coordinates","234599","2020-10-21","18:00:00",""
"7125206","6.191","0.00011","26.0113","0.0005","8.06978","0.00015","90","","102.689","0.001","90","","1267.79","0.04","213","","213","","","","","","","","","5","P 1 21 1","P 2yb","4","","(E)-4-((4-aminophenyl)diazenyl)benzenesulfonic acid/(R)-1-phenylethan-1-amine/N,N-dimethylacetamide","","- C24 H31 N5 O4 S -","- C24 H31 N5 O4 S -","- C48 H62 N10 O8 S2 -","2","1","","Miyano, Tetsuya; Sakai, Tatsuya; Hisaki, Ichiro; Ichida, Hideki; Kanematsu, Yasuo; Tohnai, Norimitsu","Hierarchical construction of SHG-active polar crystals by using multi-component crystals.","Chemical communications (Cambridge, England)","2016","52","94","13710","13713","10.1039/c6cc07544d","","","1.54187","CuKα","","0.1153","0.0764","","","0.1583","0.2091","","","","","","1.1","","","","has coordinates","234599","2020-10-21","18:00:00",""
"7125207","6.06973","0.00012","23.5497","0.0005","9.2011","0.0002","90","","108.609","0.0012","90","","1246.45","0.05","213","","213","","","","","","","","","5","P 1 21 1","P 2yb","4","","(E)-4-((4-aminophenyl)diazenyl)benzenesulfonic acid/(R)-1-phenylethan-1-amine/dioxane","","- C24 H30 N4 O5 S -","- C24 H30 N4 O5 S -","- C48 H60 N8 O10 S2 -","2","1","","Miyano, Tetsuya; Sakai, Tatsuya; Hisaki, Ichiro; Ichida, Hideki; Kanematsu, Yasuo; Tohnai, Norimitsu","Hierarchical construction of SHG-active polar crystals by using multi-component crystals.","Chemical communications (Cambridge, England)","2016","52","94","13710","13713","10.1039/c6cc07544d","","","1.54187","CuKα","","0.1195","0.0814","","","0.1545","0.1953","","","","","","0.887","","","","has coordinates","234599","2020-10-21","18:00:00",""
"7125208","6.00155","0.00011","26.1427","0.0005","8.40735","0.00015","90","","105.247","0.0009","90","","1272.66","0.04","213","","213","","","","","","","","","6","P 1 21 1","P 2yb","4","","(E)-4-((4-aminophenyl)diazenyl)benzenesulfonic acid/(R)-1-(4-chlorophenyl)ethan-1-amine/dioxane","","- C24 H29 Cl N4 O5 S -","- C24 H29 Cl N4 O5 S -","- C48 H58 Cl2 N8 O10 S2 -","2","1","","Miyano, Tetsuya; Sakai, Tatsuya; Hisaki, Ichiro; Ichida, Hideki; Kanematsu, Yasuo; Tohnai, Norimitsu","Hierarchical construction of SHG-active polar crystals by using multi-component crystals.","Chemical communications (Cambridge, England)","2016","52","94","13710","13713","10.1039/c6cc07544d","","","1.54187","CuKα","","0.0552","0.0499","","","0.1047","0.1086","","","","","","0.996","","","","has coordinates","234599","2020-10-21","18:00:00",""
"7125209","6.21672","0.00011","26.581","0.0005","7.98985","0.00014","90","","99.504","0.0007","90","","1302.17","0.04","213","","213","","","","","","","","","5","P 1 21 1","P 2yb","4","","(E)-4-((4-aminophenyl)diazenyl)benzenesulfonic acid/(R)-1-phenylethan-1-amine/N,N-diethylformamide","","- C25 H33 N5 O4 S -","- C25 H33 N5 O4 S -","- C50 H66 N10 O8 S2 -","2","1","","Miyano, Tetsuya; Sakai, Tatsuya; Hisaki, Ichiro; Ichida, Hideki; Kanematsu, Yasuo; Tohnai, Norimitsu","Hierarchical construction of SHG-active polar crystals by using multi-component crystals.","Chemical communications (Cambridge, England)","2016","52","94","13710","13713","10.1039/c6cc07544d","","","1.54187","CuKα","","0.062","0.0513","","","0.1175","0.1329","","","","","","1.069","","","","has coordinates","234599","2020-10-21","18:00:00",""
"7125210","7.3493","0.0002","6.04446","0.00019","23.3114","0.0006","90","","94.695","0.0017","90","","1032.08","0.05","213","","213","","","","","","","","","6","P 1 21 1","P 2yb","4","","(E)-4-((4-aminophenyl)diazenyl)benzenesulfonic acid/(R)-1-(4-chlorophenyl)ethan-1-amine","","- C20 H21 Cl N4 O3 S -","- C20 H21 Cl N4 O3 S -","- C40 H42 Cl2 N8 O6 S2 -","2","1","","Miyano, Tetsuya; Sakai, Tatsuya; Hisaki, Ichiro; Ichida, Hideki; Kanematsu, Yasuo; Tohnai, Norimitsu","Hierarchical construction of SHG-active polar crystals by using multi-component crystals.","Chemical communications (Cambridge, England)","2016","52","94","13710","13713","10.1039/c6cc07544d","","","1.54187","CuKα","","0.1052","0.0724","","","0.1559","0.2025","","","","","","1.066","","","","has coordinates","234599","2020-10-21","18:00:00",""
"7125211","10.95","0.005","6.53","0.005","13.61","0.005","90","","92.58","0.005","90","","972.2","0.9","100","2","100","2","","","","","","","","6","P 1 2/n 1","-P 2yac","13","","","","- C16 H26 Cu N4 O9 Zn -","- C16 H26 Cu N4 O9 Zn -","- C32 H52 Cu2 N8 O18 Zn2 -","2","0.5","","Albalad, Jorge; Aríñez-Soriano, Javier; Vidal-Gancedo, José; Lloveras, Vega; Juanhuix, Jordi; Imaz, Inhar; Aliaga-Alcalde, Núria; Maspoch, Daniel","Hetero-bimetallic paddlewheel clusters in coordination polymers formed by a water-induced single-crystal-to-single-crystal transformation.","Chemical communications (Cambridge, England)","2016","52","91","13397","13400","10.1039/c6cc07653j","","","0.8266","synchrotronradiation","","0.0404","0.0362","","","0.0986","0.0997","","","","","","1.057","","","","has coordinates","234602","2020-10-21","18:00:00",""
"7125212","11.56","0.005","16.83","0.005","12.92","0.005","90","","110.97","0.03","90","","2347.2","1.6","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C32 H48 Cu3 N8 O26 Zn -","- C32 H48 Cu3 N8 O26 Zn -","- C64 H96 Cu6 N16 O52 Zn2 -","2","0.5","","Albalad, Jorge; Aríñez-Soriano, Javier; Vidal-Gancedo, José; Lloveras, Vega; Juanhuix, Jordi; Imaz, Inhar; Aliaga-Alcalde, Núria; Maspoch, Daniel","Hetero-bimetallic paddlewheel clusters in coordination polymers formed by a water-induced single-crystal-to-single-crystal transformation.","Chemical communications (Cambridge, England)","2016","52","91","13397","13400","10.1039/c6cc07653j","","","0.71081","synchrotronradiation","","0.0625","0.0556","","","0.1587","0.1648","","","","","","1.047","","","","has coordinates,has disorder","234602","2020-10-21","18:00:00",""
"7125213","5.8274","0.0002","9.9168","0.0003","23.1227","0.0008","90","","90","","90","","1336.24","0.08","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","VCINA","","","- C12 H14 N2 O7 -","- C12 H14 N2 O7 -","- C48 H56 N8 O28 -","4","1","","Wang, Jian-Rong; Bao, Junjie; Fan, Xiaowu; Dai, Wenjuan; Mei, Xuefeng","pH-Switchable vitamin B<sub>9</sub> gels for stoichiometry-controlled spherical co-crystallization.","Chemical communications (Cambridge, England)","2016","52","92","13452","13455","10.1039/c6cc07701c","","","0.71073","MoKα","","0.0504","0.0337","","","0.0654","0.071","","","","","","1.021","","","","has coordinates","234605","2020-10-21","18:00:00",""
"7125214","8.934","0.0009","5.1587","0.0005","43.225","0.004","90","","93","0.007","90","","1989.4","0.3","100","2","100","2","","","","","","","","4","P 1 2 1","P 2y","3","VCINA2","","","- C18 H20 N4 O8 -","- C18 H20 N4 O8 -","- C72 H80 N16 O32 -","4","2","","Wang, Jian-Rong; Bao, Junjie; Fan, Xiaowu; Dai, Wenjuan; Mei, Xuefeng","pH-Switchable vitamin B<sub>9</sub> gels for stoichiometry-controlled spherical co-crystallization.","Chemical communications (Cambridge, England)","2016","52","92","13452","13455","10.1039/c6cc07701c","","","0.71073","MoKα","","0.082","0.0492","","","0.0815","0.0922","","","","","","1.022","","","","has coordinates","234605","2020-10-21","18:00:00",""
"7125215","5.0886","0.0002","7.2518","0.0003","17.1681","0.0007","93.324","0.003","93.952","0.003","97.338","0.003","625.42","0.04","100","2","100","2","","","","","","","","4","P 1","P 1","1","VCNA","","","- C24 H28 N4 O14 -","- C24 H28 N4 O14 -","- C24 H28 N4 O14 -","1","1","","Wang, Jian-Rong; Bao, Junjie; Fan, Xiaowu; Dai, Wenjuan; Mei, Xuefeng","pH-Switchable vitamin B<sub>9</sub> gels for stoichiometry-controlled spherical co-crystallization.","Chemical communications (Cambridge, England)","2016","52","92","13452","13455","10.1039/c6cc07701c","","","0.71073","MoKα","","0.0812","0.0727","","","0.1927","0.2003","","","","","","1.039","","","","has coordinates","234605","2020-10-21","18:00:00",""
"7125216","5.074","0.002","29.696","0.014","8.498","0.004","90","","103.16","0.03","90","","1246.8","1","296","2","296.15","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C24 H26 N6 O9 -","- C24 H26 N6 O9 -","- C48 H52 N12 O18 -","2","1","","Wang, Jian-Rong; Bao, Junjie; Fan, Xiaowu; Dai, Wenjuan; Mei, Xuefeng","pH-Switchable vitamin B<sub>9</sub> gels for stoichiometry-controlled spherical co-crystallization.","Chemical communications (Cambridge, England)","2016","52","92","13452","13455","10.1039/c6cc07701c","","","0.71073","MoKα","","0.189","0.0825","","","0.2024","0.2638","","","","","","0.992","","","","has coordinates","234605","2020-10-21","18:00:00",""
"7125217","5.0892","0.0003","7.5329","0.0005","19.7851","0.0012","84.757","0.004","85.752","0.004","81.727","0.004","746.03","0.08","293","2","293","","","","","","","","","4","P 1","P 1","1","","","","- C13 H18 N2 O8 -","- C13 H18 N2 O8 -","- C26 H36 N4 O16 -","2","2","","Wang, Jian-Rong; Bao, Junjie; Fan, Xiaowu; Dai, Wenjuan; Mei, Xuefeng","pH-Switchable vitamin B<sub>9</sub> gels for stoichiometry-controlled spherical co-crystallization.","Chemical communications (Cambridge, England)","2016","52","92","13452","13455","10.1039/c6cc07701c","","","0.71073","MoKα","","0.1119","0.108","","","0.3047","0.3099","","","","","","1.078","","","","has coordinates","234605","2020-10-21","18:00:00",""
"7125218","7.2149","0.0004","12.4451","0.0007","15.6775","0.0008","90","","90","","90","","1407.69","0.13","170","","170","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C7 H7 N2 O3 -","- C7 H7 N2 O3 -","- C56 H56 N16 O24 -","8","1","","Wang, Jian-Rong; Bao, Junjie; Fan, Xiaowu; Dai, Wenjuan; Mei, Xuefeng","pH-Switchable vitamin B<sub>9</sub> gels for stoichiometry-controlled spherical co-crystallization.","Chemical communications (Cambridge, England)","2016","52","92","13452","13455","10.1039/c6cc07701c","","","0.71073","MoKα","","0.0683","0.0402","","","0.0983","0.1143","","","","","","1.018","","","","has coordinates","234605","2020-10-21","18:00:00",""
"7125219","5.577","0.0013","11.436","0.003","11.447","0.003","90","","90","","90","","730.1","0.3","100","2","100","2","","","","","","","","5","P b c m","-P 2c 2b","57","","","","- C4 H13 B F3 N -","- C4 H13 B F3 N -","- C16 H52 B4 F12 N4 -","4","0.5","","Duda, Katharina; Himmelspach, Alexander; Landmann, Johannes; Kraus, Florian; Finze, Maik","Synthesis of the fluorohydridoborate anions [BHF<sub>3</sub>]<sup>-</sup> and [1-HF<sub>2</sub>B-9,12-X<sub>2</sub>-closo-1,2-C<sub>2</sub>B<sub>10</sub>H<sub>9</sub>]<sup>-</sup> (X = H, I): deboronation of 1,2- and 1,7-dicarba-closo-dodecaboranes with anhydrous [Me<sub>4</sub>N]F.","Chemical communications (Cambridge, England)","2016","52","90","13241","13244","10.1039/c6cc07711k","","","0.71073","MoKα","","0.0428","0.0365","","","0.0917","0.0954","","","","","","1.074","","","","has coordinates","234607","2020-10-21","18:00:00",""
"7125220","10.452","0.003","13.828","0.003","10.773","0.002","90","","90.102","0.007","90","","1557","0.6","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C6 H24 B11 F2 N -","- C6 H24 B11 F2 N -","- C24 H96 B44 F8 N4 -","4","2","","Duda, Katharina; Himmelspach, Alexander; Landmann, Johannes; Kraus, Florian; Finze, Maik","Synthesis of the fluorohydridoborate anions [BHF<sub>3</sub>]<sup>-</sup> and [1-HF<sub>2</sub>B-9,12-X<sub>2</sub>-closo-1,2-C<sub>2</sub>B<sub>10</sub>H<sub>9</sub>]<sup>-</sup> (X = H, I): deboronation of 1,2- and 1,7-dicarba-closo-dodecaboranes with anhydrous [Me<sub>4</sub>N]F.","Chemical communications (Cambridge, England)","2016","52","90","13241","13244","10.1039/c6cc07711k","","","0.71073","MoKα","","0.0698","0.0688","","","0.1949","0.1965","","","","","","1.097","","","","has coordinates,has disorder","234607","2020-10-21","18:00:00",""
"7125221","12.4538","0.0007","13.5015","0.0008","13.544","0.0008","60.759","0.001","72.3","0.002","86.331","0.002","1883.28","0.19","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C6 H22 B11 F2 I2 N -","- C6 H22 B11 F2 I2 N -","- C24 H88 B44 F8 I8 N4 -","4","2","","Duda, Katharina; Himmelspach, Alexander; Landmann, Johannes; Kraus, Florian; Finze, Maik","Synthesis of the fluorohydridoborate anions [BHF<sub>3</sub>]<sup>-</sup> and [1-HF<sub>2</sub>B-9,12-X<sub>2</sub>-closo-1,2-C<sub>2</sub>B<sub>10</sub>H<sub>9</sub>]<sup>-</sup> (X = H, I): deboronation of 1,2- and 1,7-dicarba-closo-dodecaboranes with anhydrous [Me<sub>4</sub>N]F.","Chemical communications (Cambridge, England)","2016","52","90","13241","13244","10.1039/c6cc07711k","","","0.71073","MoKα","","0.0307","0.0246","","","0.0528","0.0555","","","","","","1.058","","","","has coordinates,has disorder","234607","2020-10-21","18:00:00",""
"7125222","8.3041","0.0012","10.2744","0.0015","22.465","0.003","90","","90","","90","","1916.7","0.5","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C20 H23 N O3 S -","- C20 H23 N O3 S -","- C80 H92 N4 O12 S4 -","4","1","","Huang, Wei; Liu, Hui; Lu, Chong-Dao; Xu, Yan-Jun","Diastereoselective synthesis of 2-methoxyimidoyloxiranes via dimethyl phosphite-mediated coupling of α-keto N-sulfinyl imidates with aldehydes.","Chemical communications (Cambridge, England)","2016","52","93","13592","13595","10.1039/c6cc07723d","","","0.71073","MoKα","","0.049","0.0372","","","0.0914","0.0993","","","","","","1.03","","","","has coordinates","234609","2020-10-21","18:00:00",""
"7125223","31.22","0.004","10.5893","0.0012","13.5925","0.0015","90","","89.984","0.006","90","","4493.7","0.9","296","2","296","2","","","","","","","","3","P 1 2/c 1","-P 2yc","13","","","","- C28 H26 O4 -","- C28 H26 O4 -","- C112 H104 O16 -","4","1","","Lu, Danyang; Wan, Yimei; Kong, Lichun; Zhu, Gangguo","Copper-catalyzed cascade annulation between α-bromocarbonyls and biaryl or (Z)-arylvinylacetylenes enabling a direct synthesis of dibenzocycloheptanes and related compounds.","Chemical communications (Cambridge, England)","2016","52","97","13971","13974","10.1039/c6cc07727g","","","0.71073","MoKα","","0.1945","0.1764","","","0.4273","0.4324","","","","","","2.859","","","","has coordinates","234611","2020-10-21","18:00:00",""
"7125224","8.8392","0.0005","12.746","0.0007","9.5979","0.0005","90","","99.664","0.004","90","","1066","0.1","296","2","296","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C25 H26 O4 -","- C25 H26 O4 -","- C50 H52 O8 -","2","1","","Lu, Danyang; Wan, Yimei; Kong, Lichun; Zhu, Gangguo","Copper-catalyzed cascade annulation between α-bromocarbonyls and biaryl or (Z)-arylvinylacetylenes enabling a direct synthesis of dibenzocycloheptanes and related compounds.","Chemical communications (Cambridge, England)","2016","52","97","13971","13974","10.1039/c6cc07727g","","","0.71073","MoKα","","0.1355","0.0637","","","0.1444","0.1847","","","","","","0.896","","","","has coordinates","234611","2020-10-21","18:00:00",""
"7125225","12.7888","0.0004","15.597","0.0005","11.0139","0.0004","90","","110.204","0.002","90","","2061.73","0.12","296","2","296","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C24 H24 O5 -","- C24 H24 O5 -","- C96 H96 O20 -","4","1","","Lu, Danyang; Wan, Yimei; Kong, Lichun; Zhu, Gangguo","Copper-catalyzed cascade annulation between α-bromocarbonyls and biaryl or (Z)-arylvinylacetylenes enabling a direct synthesis of dibenzocycloheptanes and related compounds.","Chemical communications (Cambridge, England)","2016","52","97","13971","13974","10.1039/c6cc07727g","","","0.71073","MoKα","","0.1245","0.0729","","","0.1911","0.2224","","","","","","1.359","","","","has coordinates","234611","2020-10-21","18:00:00",""
"7125226","36.4636","0.0015","9.9056","0.0004","9.921","0.0004","90","","90","","90","","3583.4","0.3","293","2","293","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C16 H52 B20 Co N2 S4 -","- C16 H52 B20 Co N2 S4 -","- C64 H208 B80 Co4 N8 S16 -","4","1","","Tu, Deshuang; Shao, Dong; Yan, Hong; Lu, Changsheng","A carborane-incorporated mononuclear Co(ii) complex showing zero-field slow magnetic relaxation.","Chemical communications (Cambridge, England)","2016","52","99","14326","14329","10.1039/c6cc07728e","","","0.71073","MoKα","","0.0688","0.0658","","","0.1607","0.1621","","","","","","1.135","","","","has coordinates","234613","2020-10-21","18:00:00",""
"7125227","10.291","0.003","21.844","0.007","12.742","0.005","90","","106.679","0.018","90","","2743.8","1.6","296","2","296","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C26 H46 Cl2 N4 Sn -","- C26 H46 Cl2 N4 Sn -","- C104 H184 Cl8 N16 Sn4 -","4","1","","Bertermann, Rüdiger; Braunschweig, Holger; Celik, Mehmet Ali; Dellermann, Theresa; Kelch, Hauke","Cyclisation of biscarbenoids - a novel mode of cyclobutadiene stabilisation.","Chemical communications (Cambridge, England)","2016","52","90","13249","13252","10.1039/c6cc07741b","","","0.71073","MoKα","","0.0137","0.0135","","","0.0344","0.0346","","","","","","1.045","","","","has coordinates","234614","2020-10-21","18:00:00",""
"7125228","10.8018","0.0006","17.3515","0.0009","26.7953","0.0016","90","","97.145","0.003","90","","4983.2","0.5","173","2","173","2","","","","","","","","4","P 1 2/c 1","-P 2yc","13","","","","- C92 H56 N8 Zn2 -","- C92 H56 N8 Zn2 -","- C184 H112 N16 Zn4 -","2","0.5","","Baudron, Stéphane A; Hosseini, Mir Wais","Pre-organization of clefts for Ag-π interactions in Zn(ii) bisdipyrrin helicates for the construction of heterometallic networks.","Chemical communications (Cambridge, England)","2016","52","88","13000","13003","10.1039/c6cc07754d","","","0.71073","MoKα","","0.1039","0.0586","","","0.1573","0.1836","","","","","","1.034","","","","has coordinates","234617","2020-10-21","18:00:00",""
"7125229","10.7748","0.0004","11.5828","0.0004","35.9716","0.0011","90","","93.971","0.002","90","","4478.6","0.3","173","2","173","2","","","","","","","","4","P 1 2/n 1","-P 2yac","13","","","","- C53 H38 N4 Ni -","- C53 H38 N4 Ni -","- C212 H152 N16 Ni4 -","4","1","","Baudron, Stéphane A; Hosseini, Mir Wais","Pre-organization of clefts for Ag-π interactions in Zn(ii) bisdipyrrin helicates for the construction of heterometallic networks.","Chemical communications (Cambridge, England)","2016","52","88","13000","13003","10.1039/c6cc07754d","","","0.71073","MoKα","","0.1054","0.0633","","","0.1724","0.1998","","","","","","1.047","","","","has coordinates","234617","2020-10-21","18:00:00",""
"7125230","18.03","0.0008","11.0785","0.0005","16.251","0.0007","90","","90","","90","","3246.1","0.2","173","2","173","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C46 H28 N4 Ni -","- C46 H28 N4 Ni -","- C184 H112 N16 Ni4 -","4","1","","Baudron, Stéphane A; Hosseini, Mir Wais","Pre-organization of clefts for Ag-π interactions in Zn(ii) bisdipyrrin helicates for the construction of heterometallic networks.","Chemical communications (Cambridge, England)","2016","52","88","13000","13003","10.1039/c6cc07754d","","","0.71073","MoKα","","0.0689","0.0491","","","0.1174","0.1244","","","","","","1.001","","","","has coordinates","234617","2020-10-21","18:00:00",""
"7125231","26.2435","0.0013","13.5308","0.0005","9.407","0.0004","90","","99.357","0.004","90","","3295.9","0.3","173","2","173","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C46 H30 N4 -","- C46 H30 N4 -","- C184 H120 N16 -","4","0.5","","Baudron, Stéphane A; Hosseini, Mir Wais","Pre-organization of clefts for Ag-π interactions in Zn(ii) bisdipyrrin helicates for the construction of heterometallic networks.","Chemical communications (Cambridge, England)","2016","52","88","13000","13003","10.1039/c6cc07754d","","","0.71073","MoKα","","0.1058","0.0645","","","0.1632","0.1881","","","","","","1.028","","","","has coordinates","234617","2020-10-21","18:00:00",""
"7125232","9.4384","0.0003","34.9486","0.0012","20.3325","0.0007","90","","101.347","0.002","90","","6575.8","0.4","173","2","173","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C136 H110 Ag4 F12 N16 O15 S4 Zn4 -","- C136 H100 Ag4 F12 N16 O15 S4 Zn4 -","- C272 H200 Ag8 F24 N32 O30 S8 Zn8 -","2","0.5","","Baudron, Stéphane A; Hosseini, Mir Wais","Pre-organization of clefts for Ag-π interactions in Zn(ii) bisdipyrrin helicates for the construction of heterometallic networks.","Chemical communications (Cambridge, England)","2016","52","88","13000","13003","10.1039/c6cc07754d","","","0.71073","MoKα","","0.0928","0.0562","","","0.1128","0.1266","","","","","","1.1","","","","has coordinates,has disorder","234617","2020-10-21","18:00:00",""
"7125233","11.3487","0.0003","18.6122","0.0005","33.9443","0.001","90","","95.1","0.002","90","","7141.5","0.3","173","2","173","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C63 H40 Ag3 F9 N8 O9 S3 Zn2 -","- C63 H40 Ag3 F9 N8 O9 S3 Zn2 -","- C252 H160 Ag12 F36 N32 O36 S12 Zn8 -","4","1","","Baudron, Stéphane A; Hosseini, Mir Wais","Pre-organization of clefts for Ag-π interactions in Zn(ii) bisdipyrrin helicates for the construction of heterometallic networks.","Chemical communications (Cambridge, England)","2016","52","88","13000","13003","10.1039/c6cc07754d","","","0.71073","MoKα","","0.066","0.0447","","","0.1238","0.1363","","","","","","1.03","","","","has coordinates","234617","2020-10-21","18:00:00",""
"7125234","15.4217","0.0005","16.4469","0.0005","22.1055","0.0007","69.989","0.002","69.909","0.002","73.752","0.002","4863.4","0.3","173","2","173","2","","","","","","","","8","P -1","-P 1","2","","","","- C216 H172 Ag4 F12 N16 O17 S4 Zn4 -","- C216 H162 Ag4 F12 N16 O17 S4 Zn4 -","- C216 H162 Ag4 F12 N16 O17 S4 Zn4 -","1","0.5","","Baudron, Stéphane A; Hosseini, Mir Wais","Pre-organization of clefts for Ag-π interactions in Zn(ii) bisdipyrrin helicates for the construction of heterometallic networks.","Chemical communications (Cambridge, England)","2016","52","88","13000","13003","10.1039/c6cc07754d","","","0.71073","MoKα","","0.0882","0.0536","","","0.1388","0.1587","","","","","","1.068","","","","has coordinates,has disorder","234617","2020-10-21","18:00:00",""
"7125235","8.5064","0.0009","17.8133","0.0019","9.4824","0.001","90","","99.126","0.003","90","","1418.7","0.3","113","2","113","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C17 H16 N2 O3 -","- C17 H16 N2 O3 -","- C68 H64 N8 O12 -","4","1","","Zhou, Tao; Li, Bin; Wang, Baiquan","Rhodium-catalyzed C-H activation of 3-(indolin-1-yl)-3-oxopropanenitriles with diazo compounds and tandem cyclization leading to hydrogenated azepino[3,2,1-hi]indoles.","Chemical communications (Cambridge, England)","2016","52","98","14117","14120","10.1039/c6cc07758g","","","0.71075","MoKα","","0.0473","0.0437","","","0.1179","0.121","","","","","","1.048","","","","has coordinates","234619","2020-10-21","18:00:00",""
"7125236","9.2814","0.0019","10.273","0.0019","11.8447","0.0019","79.305","0.011","79.574","0.012","83.084","0.012","1087","0.4","113","","113","","","","","","","","","4","P -1","-P 1","2","","","","- C21 H20 N2 O4 -","- C21 H20 N2 O4 -","- C42 H40 N4 O8 -","2","1","","Zhou, Tao; Li, Bin; Wang, Baiquan","Rhodium-catalyzed C-H activation of 3-(indolin-1-yl)-3-oxopropanenitriles with diazo compounds and tandem cyclization leading to hydrogenated azepino[3,2,1-hi]indoles.","Chemical communications (Cambridge, England)","2016","52","98","14117","14120","10.1039/c6cc07758g","","","0.71073","MoKα","","0.0617","0.0512","","","0.1281","0.1339","","","","","","1.053","","","","has coordinates","234619","2020-10-21","18:00:00",""
"7125237","7.6541","0.0006","9.3183","0.0004","12.9177","0.0009","106.268","0.005","100.626","0.006","91.743","0.005","865.98","0.1","172.9","0.2","172.9","0.2","","","","","","","","4","P -1","-P 1","2","","","","- C16 H16 O4 S4 -","- C16 H16 O4 S4 -","- C32 H32 O8 S8 -","2","1","","Adows, Hadeel; Zhao, Yuming","Redox interactions of Au(iii) with carboxylated dithiafulvenes and tetrathiafulvalene analogues in polar organic media.","Chemical communications (Cambridge, England)","2016","52","89","13101","13104","10.1039/c6cc07769b","","x-ray","1.54184","CuKα","","0.0399","0.0367","","","0.0995","0.1042","","","","","","1.054","","","","has coordinates","234621","2020-10-21","18:00:00",""
"7125238","17.3602","0.0009","9.8696","0.0005","20.8727","0.001","90","","96.315","0.004","90","","3554.6","0.3","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C32 H30 O8 S8 -","- C32 H30 O8 S8 -","- C128 H120 O32 S32 -","4","0.5","","Adows, Hadeel; Zhao, Yuming","Redox interactions of Au(iii) with carboxylated dithiafulvenes and tetrathiafulvalene analogues in polar organic media.","Chemical communications (Cambridge, England)","2016","52","89","13101","13104","10.1039/c6cc07769b","","x-ray","0.71073","MoKα","","0.0774","0.0565","","","0.1364","0.1501","","","","","","1.035","","","","has coordinates","234621","2020-10-21","18:00:00",""
"7125239","9.062","0.001","10.7865","0.0012","22.897","0.003","84.698","0.002","80.375","0.002","70.592","0.002","2079.6","0.4","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C68 H102 Au2 Cl8 O8 S8 -","- C67.992 H101.978 Au2 Cl8 O8 S8 -","- C67.992 H101.978 Au2 Cl8 O8 S8 -","1","0.5","","Adows, Hadeel; Zhao, Yuming","Redox interactions of Au(iii) with carboxylated dithiafulvenes and tetrathiafulvalene analogues in polar organic media.","Chemical communications (Cambridge, England)","2016","52","89","13101","13104","10.1039/c6cc07769b","","","0.71073","MoKα","","0.0509","0.0358","","","0.0777","0.082","","","","","","1.039","","","","has coordinates,has disorder","234621","2020-10-21","18:00:00",""
"7125240","36.068","0.008","14.096","0.003","16.023","0.004","90","","109.397","0.007","90","","7684","3","100","","100","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","CP1","","- C60 H60 Cl2 Cu N12 O14 -","- C60 H60 Cl2 Cu N12 O14 -","- C240 H240 Cl8 Cu4 N48 O56 -","4","0.5","","Sarkar, Koushik; Paul, Mithun; Dastidar, Parthasarathi","Multifunctional single-layered vesicles derived from Cu(ii)-metal-organic-polyhedra.","Chemical communications (Cambridge, England)","2016","52","89","13124","13127","10.1039/c6cc07804d","","","0.71073","MoKα","","0.1321","0.0873","","","0.2617","0.2843","","","","","","1.018","","","","has coordinates,has disorder","234623","2020-10-21","18:00:00",""
"7125241","35.729","0.003","13.9528","0.0011","15.8889","0.0013","90","","109.211","0.002","90","","7479.8","1.1","100","","100","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","CP2","","- C60 H60 B2 Cu F8 N12 O6 -","- C60 H60 B2 Cu F8 N12 O6 -","- C240 H240 B8 Cu4 F32 N48 O24 -","4","0.5","","Sarkar, Koushik; Paul, Mithun; Dastidar, Parthasarathi","Multifunctional single-layered vesicles derived from Cu(ii)-metal-organic-polyhedra.","Chemical communications (Cambridge, England)","2016","52","89","13124","13127","10.1039/c6cc07804d","","","0.71073","MoKα","","0.1322","0.0819","","","0.2313","0.2587","","","","","","1.041","","","","has coordinates,has disorder","234623","2020-10-21","18:00:00",""
"7125242","35.509","0.01","14.304","0.004","15.395","0.004","90","","108.369","0.019","90","","7421","4","100","","100","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","CP3","","- C60 H60 Cu N14 O12 -","- C60 H60 Cu N14 O12 -","- C240 H240 Cu4 N56 O48 -","4","0.5","","Sarkar, Koushik; Paul, Mithun; Dastidar, Parthasarathi","Multifunctional single-layered vesicles derived from Cu(ii)-metal-organic-polyhedra.","Chemical communications (Cambridge, England)","2016","52","89","13124","13127","10.1039/c6cc07804d","","","0.71073","MoKα","","0.1559","0.0844","","","0.2365","0.2962","","","","","","0.985","","","","has coordinates,has disorder","234623","2020-10-21","18:00:00",""
"7125243","24.331","0.003","24.388","0.003","24.415","0.003","118.745","0.002","91.861","0.002","118.748","0.002","10460","2","120","","120","","","","","","","","","6","P -1","-P 1","2","","MOP1","","- C264 H300 Cl6 Cu6 N54 O48 -","- C264 H288 Cl6 Cu6 N54 O48 -","- C264 H288 Cl6 Cu6 N54 O48 -","1","0.5","","Sarkar, Koushik; Paul, Mithun; Dastidar, Parthasarathi","Multifunctional single-layered vesicles derived from Cu(ii)-metal-organic-polyhedra.","Chemical communications (Cambridge, England)","2016","52","89","13124","13127","10.1039/c6cc07804d","","","0.71073","MoKα","","0.135","0.0823","","","0.2204","0.2475","","","","","","0.977","","","","has coordinates","234623","2020-10-21","18:00:00",""
"7125244","34.915","0.003","33.412","0.003","34.291","0.003","90","","90.352","0.004","90","","40002","6","120","","120","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","MOP2","","- C264 H290 Br12 Cu6 N48 O24 -","- C264 H286 Br12 Cu6 N48 O24 -","- C1056 H1144 Br48 Cu24 N192 O96 -","4","0.5","","Sarkar, Koushik; Paul, Mithun; Dastidar, Parthasarathi","Multifunctional single-layered vesicles derived from Cu(ii)-metal-organic-polyhedra.","Chemical communications (Cambridge, England)","2016","52","89","13124","13127","10.1039/c6cc07804d","","","0.71073","MoKα","","0.0991","0.0842","","","0.2205","0.235","","","","","","1.032","","","","has coordinates","234623","2020-10-21","18:00:00",""
"7125245","7.9327","0.00019","9.5312","0.0002","19.6547","0.0005","90","","100.885","0.002","90","","1459.32","0.06","99.9","0.1","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C14 H20 F N O2 S -","- C14 H20 F N O2 S -","- C56 H80 F4 N4 O8 S4 -","4","1","","Okoromoba, Otome E.; Li, Zhou; Robertson, Nicole; Mashuta, Mark S.; Couto, Uenifer R.; Tormena, Cláudio F; Xu, Bo; Hammond, Gerald B.","Achieving regio- and stereo-control in the fluorination of aziridines under acidic conditions.","Chemical communications (Cambridge, England)","2016","52","91","13353","13356","10.1039/c6cc07855a","","","0.71073","MoKα","","0.0432","0.0367","","","0.0902","0.0943","","","","","","1.052","","","","has coordinates","234625","2020-10-21","18:00:00",""
"7125246","8.2947","0.0003","9.5293","0.0002","18.8749","0.0004","90","","90","","90","","1491.92","0.07","99.9","0.1","99.9","0.1","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C16 H18 F N O2 S -","- C16 H18 F N O2 S -","- C64 H72 F4 N4 O8 S4 -","4","1","","Okoromoba, Otome E.; Li, Zhou; Robertson, Nicole; Mashuta, Mark S.; Couto, Uenifer R.; Tormena, Cláudio F; Xu, Bo; Hammond, Gerald B.","Achieving regio- and stereo-control in the fluorination of aziridines under acidic conditions.","Chemical communications (Cambridge, England)","2016","52","91","13353","13356","10.1039/c6cc07855a","","","0.71073","MoKα","","0.0379","0.0341","","","0.0733","0.0752","","","","","","1.032","","","","has coordinates","234625","2020-10-21","18:00:00",""
"7125247","7.3082","0.0002","12.667","0.0004","7.9739","0.0003","90","","102.802","0.003","90","","719.82","0.04","100.5","0.6","100.5","0.6","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C16 H17 N O2 S -","- C16 H17 N O2 S -","- C32 H34 N2 O4 S2 -","2","1","","Okoromoba, Otome E.; Li, Zhou; Robertson, Nicole; Mashuta, Mark S.; Couto, Uenifer R.; Tormena, Cláudio F; Xu, Bo; Hammond, Gerald B.","Achieving regio- and stereo-control in the fluorination of aziridines under acidic conditions.","Chemical communications (Cambridge, England)","2016","52","91","13353","13356","10.1039/c6cc07855a","","","0.71073","MoKα","","0.026","0.0254","","","0.0581","0.0585","","","","","","1.019","","","","has coordinates","234625","2020-10-21","18:00:00",""
"7125248","6.3281","0.0004","12.8693","0.0009","17.8671","0.001","105.544","0.006","93.657","0.005","100.435","0.005","1368.94","0.16","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C26 H36 F2 N2 O6 S2 -","- C26 H36 F2 N2 O6 S2 -","- C52 H72 F4 N4 O12 S4 -","2","1","","Okoromoba, Otome E.; Li, Zhou; Robertson, Nicole; Mashuta, Mark S.; Couto, Uenifer R.; Tormena, Cláudio F; Xu, Bo; Hammond, Gerald B.","Achieving regio- and stereo-control in the fluorination of aziridines under acidic conditions.","Chemical communications (Cambridge, England)","2016","52","91","13353","13356","10.1039/c6cc07855a","","","0.71073","MoKα","","0.0601","0.0396","","","0.0729","0.0811","","","","","","1.03","","","","has coordinates","234625","2020-10-21","18:00:00",""
"7125249","7.1952","0.0005","19.7441","0.0016","20.4254","0.0014","90","","90","","90","","2901.7","0.4","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","ZJU-198","","- C12 H7 N O4 Zn -","- C12 H7 N O4 Zn -","- C96 H56 N8 O32 Zn8 -","8","1","","Zhang, Ling; Jiang, Ke; Jiang, Mengdie; Yue, Dan; Wan, Yating; Xing, Huabin; Yang, Yu; Cui, Yuanjing; Chen, Banglin; Qian, Guodong","A highly stable amino-coordinated MOF for unprecedented block off N<sub>2</sub> adsorption and extraordinary CO<sub>2</sub>/N<sub>2</sub> separation.","Chemical communications (Cambridge, England)","2016","52","93","13568","13571","10.1039/c6cc07858c","","","0.71073","MoKα","","0.1194","0.0893","","","0.2027","0.2188","","","","","","1.037","","","","has coordinates","234626","2020-10-21","18:00:00",""
"7125250","10.08","0.0003","11.8813","0.0004","16.5509","0.0006","88.653","0.002","86.499","0.002","89.381","0.002","1977.86","0.11","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C21 H24 N2 O Si -","- C21 H24 N2 O Si -","- C84 H96 N8 O4 Si4 -","4","2","","Pan, Jin-Long; Li, Quan-Zhe; Zhang, Ting-Yu; Hou, Si-Hua; Kang, Jun-Cheng; Zhang, Shu-Yu","Palladium-catalyzed direct intermolecular silylation of remote unactivated C(sp<sup>3</sup>)-H bonds.","Chemical communications (Cambridge, England)","2016","52","89","13151","13154","10.1039/c6cc07885k","","","1.54178","CuKα","","0.0715","0.0536","","","0.1413","0.1518","","","","","","1.033","","","","has coordinates","234628","2020-10-21","18:00:00",""
"7125251","17.5738","0.0008","10.3894","0.0004","12.0069","0.0005","90","","100.934","0.002","90","","2152.44","0.16","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H30 N2 O Si2 -","- C20 H30 N2 O Si2 -","- C80 H120 N8 O4 Si8 -","4","1","","Pan, Jin-Long; Li, Quan-Zhe; Zhang, Ting-Yu; Hou, Si-Hua; Kang, Jun-Cheng; Zhang, Shu-Yu","Palladium-catalyzed direct intermolecular silylation of remote unactivated C(sp<sup>3</sup>)-H bonds.","Chemical communications (Cambridge, England)","2016","52","89","13151","13154","10.1039/c6cc07885k","","","1.54178","CuKα","","0.0495","0.0427","","","0.1225","0.1337","","","","","","1.006","","","","has coordinates","234628","2020-10-21","18:00:00",""
"7125252","40.8407","0.0009","11.72","0.0003","10.659","0.0002","90","","102.731","0.001","90","","4976.53","0.19","173","2","173","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C26 H29 N3 O3 Si -","- C26 H29 N3 O3 Si -","- C208 H232 N24 O24 Si8 -","8","2","","Pan, Jin-Long; Li, Quan-Zhe; Zhang, Ting-Yu; Hou, Si-Hua; Kang, Jun-Cheng; Zhang, Shu-Yu","Palladium-catalyzed direct intermolecular silylation of remote unactivated C(sp<sup>3</sup>)-H bonds.","Chemical communications (Cambridge, England)","2016","52","89","13151","13154","10.1039/c6cc07885k","","","1.54178","CuKα","","0.0521","0.0448","","","0.1094","0.113","","","","","","1.05","","","","has coordinates","234628","2020-10-21","18:00:00",""
"7125253","8.7297","0.0006","28.9112","0.0015","15.5735","0.0012","90","","103.822","0.004","90","","3816.7","0.4","113","","113","","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C39 H21 Au Cl7 F2 N O4 P -","- C39 H21 Au Cl7 F2 N O4 P -","- C156 H84 Au4 Cl28 F8 N4 O16 P4 -","4","1","","Hattori, Yohei; Kusamoto, Tetsuro; Sato, Tohru; Nishihara, Hiroshi","Synergistic luminescence enhancement of a pyridyl-substituted triarylmethyl radical based on fluorine substitution and coordination to gold.","Chemical communications (Cambridge, England)","2016","52","91","13393","13396","10.1039/c6cc07898b","","","0.7107","MoKα","","","0.0532","","","","0.1221","","","","","","1.08","","","","has coordinates","234630","2020-10-21","18:00:00",""
"7125254","22.1254","0.0011","16.4448","0.0009","28.2843","0.0015","90","","90","","90","","10291.2","0.9","100","2","100","2","","","","","","","","8","P b c a","-P 2ac 2ab","61","","bis(2-phenyl-1H-benzo[d]imidazole-κ^2^N,C)-{methyl 1-butyl-2-(pyridin-2-yl)-1H-benzo[d]imidazole-5-carboxylate-κ^2^N,N'}iridium(III) hexafluorophosphate tris(dichloromethane) solvate","","- C47 H43 Cl6 F6 Ir N7 O2 P -","- C47 H43 Cl6 F6 Ir N7 O2 P -","- C376 H344 Cl48 F48 Ir8 N56 O16 P8 -","8","1","","Yellol, Jyoti; Pérez, Sergio A; Yellol, Gorakh; Zajac, Juraj; Donaire, Antonio; Vigueras, Gloria; Novohradsky, Vojtech; Janiak, Christoph; Brabec, Viktor; Ruiz, José","Highly potent extranuclear-targeted luminescent iridium(iii) antitumor agents containing benzimidazole-based ligands with a handle for functionalization.","Chemical communications (Cambridge, England)","2016","52","98","14165","14168","10.1039/c6cc07909a","","","0.71073","MoKα","","0.07","0.0621","","","0.1235","0.1272","","","","","","1.145","","","","has coordinates","234632","2020-10-21","18:00:00",""
"7125255","24.4157","0.001","16.5559","0.0007","23.3462","0.0009","90","","113.79","0.0014","90","","8635.2","0.6","100","2","100","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","bis(1-phenyl-1H-pyrazole-κ^2^N,C)-{methyl 1-butyl-2-(pyridin-2-yl)-1H-benzo[d]imidazole-5-carboxylate-κ^2^N,N'}iridium(III) hexafluorophosphate dichloromethane solvate","","- C35.5 H30.5 Cl F6 Ir N7 O2 P -","- C35.5 H30.5 Cl F6 Ir N7 O2 P -","- C284 H244 Cl8 F48 Ir8 N56 O16 P8 -","8","1","","Yellol, Jyoti; Pérez, Sergio A; Yellol, Gorakh; Zajac, Juraj; Donaire, Antonio; Vigueras, Gloria; Novohradsky, Vojtech; Janiak, Christoph; Brabec, Viktor; Ruiz, José","Highly potent extranuclear-targeted luminescent iridium(iii) antitumor agents containing benzimidazole-based ligands with a handle for functionalization.","Chemical communications (Cambridge, England)","2016","52","98","14165","14168","10.1039/c6cc07909a","","","0.71073","MoKα","","0.0361","0.0335","","","0.0802","0.0817","","","","","","1.075","","","","has coordinates,has disorder","234632","2020-10-21","18:00:00",""
"7125256","6.3004","0.0005","8.2192","0.0008","25.844","0.002","90","","94.486","0.008","90","","1334.2","0.2","293","2","293.15","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C15 H18 O2 -","- C15 H18 O2 -","- C60 H72 O8 -","4","1","","Ma, Dengke; Fu, Chunling; Ma, Shengming","Diastereoselective construction of cyclopent-2-enone-4-ols from aldehydes and 1,2-allenones catalyzed by N-heterocyclic carbene.","Chemical communications (Cambridge, England)","2016","52","100","14426","14429","10.1039/c6cc07974a","","","0.71073","MoKα","","0.0996","0.0511","","","0.1076","0.1295","","","","","","0.998","","","","has coordinates","234634","2020-10-21","18:00:00",""
"7125257","9.0944","0.0007","11.4218","0.0009","15.9032","0.0012","95.9441","0.0008","103.474","0.0008","102.049","0.0008","1550.8","0.2","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C36 H28 O2 P2 Pd S -","- C36 H28 O2 P2 Pd S -","- C72 H56 O4 P4 Pd2 S2 -","2","1","","Ma, Qiang-Qiang; Liu, Ting; Li, Shujun; Zhang, Jie; Chen, Xuenian; Guan, Hairong","Highly efficient reduction of carbon dioxide with a borane catalyzed by bis(phosphinite) pincer ligated palladium thiolate complexes.","Chemical communications (Cambridge, England)","2016","52","99","14262","14265","10.1039/c6cc07987c","","","0.71073","MoKα","","0.0401","0.0325","","","0.0805","0.0879","","","","","","1.055","","","","has coordinates","234638","2020-10-21","18:00:00",""
"7125258","8.7065","0.0015","11.0937","0.0019","15.13","0.003","73.3056","0.0017","80.9582","0.0019","74.899","0.0018","1346.1","0.4","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C24 H36 O2 P2 Pd S -","- C24 H36 O2 P2 Pd S -","- C48 H72 O4 P4 Pd2 S2 -","2","1","","Ma, Qiang-Qiang; Liu, Ting; Li, Shujun; Zhang, Jie; Chen, Xuenian; Guan, Hairong","Highly efficient reduction of carbon dioxide with a borane catalyzed by bis(phosphinite) pincer ligated palladium thiolate complexes.","Chemical communications (Cambridge, England)","2016","52","99","14262","14265","10.1039/c6cc07987c","","","0.71073","MoKα","","0.0286","0.0235","","","0.0657","0.0757","","","","","","1.015","","","","has coordinates","234638","2020-10-21","18:00:00",""
"7125259","8.6167","0.0009","11.5992","0.0012","16.4263","0.0017","77.1791","0.0012","79.8629","0.0014","73.9166","0.0013","1526.6","0.3","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C28 H44 O2 P2 Pd S -","- C28 H44 O2 P2 Pd S -","- C56 H88 O4 P4 Pd2 S2 -","2","1","","Ma, Qiang-Qiang; Liu, Ting; Li, Shujun; Zhang, Jie; Chen, Xuenian; Guan, Hairong","Highly efficient reduction of carbon dioxide with a borane catalyzed by bis(phosphinite) pincer ligated palladium thiolate complexes.","Chemical communications (Cambridge, England)","2016","52","99","14262","14265","10.1039/c6cc07987c","","","0.71073","MoKα","","0.0776","0.0481","","","0.095","0.1175","","","","","","1.088","","","","has coordinates","234638","2020-10-21","18:00:00",""
"7125260","14.9101","0.0005","17.9438","0.0005","22.3792","0.0007","69.512","0.002","75.796","0.002","81.501","0.002","5424.6","0.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","Mn10","","","- C216 H310 Mn10 N12 O40 -","- C216 H300 Mn10 N12 O40 -","- C216 H300 Mn10 N12 O40 -","1","0.5","","Coletta, Marco; McLellan, Ross; Waddington, Amy; Sanz, Sergio; Gagnon, Kevin J.; Teat, Simon J.; Brechin, Euan K.; Dalgarno, Scott J.","Core expansion of bis-calix[4]arene-supported clusters.","Chemical communications (Cambridge, England)","2016","52","99","14246","14249","10.1039/c6cc08059f","","","0.7749","Synchrotron","","0.1116","0.0762","","","0.2023","0.2297","","","","","","1.045","","","","has coordinates,has disorder","234640","2020-10-21","18:00:00",""
"7125261","22.096","0.0007","19.157","0.0006","27.0764","0.0009","90","","105.149","0.002","90","","11063","0.6","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","Mn8Gd2","","","- C206 H280 Gd2 Mn8 N10 O44 -","- C206 H278 Gd2 Mn8 N10 O44 -","- C412 H556 Gd4 Mn16 N20 O88 -","2","0.5","","Coletta, Marco; McLellan, Ross; Waddington, Amy; Sanz, Sergio; Gagnon, Kevin J.; Teat, Simon J.; Brechin, Euan K.; Dalgarno, Scott J.","Core expansion of bis-calix[4]arene-supported clusters.","Chemical communications (Cambridge, England)","2016","52","99","14246","14249","10.1039/c6cc08059f","","","0.7749","Synchrotron","","0.1061","0.0834","","","0.2489","0.274","","","","","","1.077","","","","has coordinates,has disorder","234640","2020-10-21","18:00:00",""
"7125262","8.9003","0.0013","9.3364","0.0014","11.3581","0.0015","83.515","0.006","76.869","0.005","82.053","0.006","907.1","0.2","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","DASA_3a","","- C20 H24 N2 O5 -","- C20 H24 N2 O5 -","- C40 H48 N4 O10 -","2","1","","Mallo, Neil; Brown, Patrick T.; Iranmanesh, Hasti; MacDonald, Thomas S. C.; Teusner, Matthew J.; Harper, Jason B.; Ball, Graham E.; Beves, Jonathon E.","Photochromic switching behaviour of donor-acceptor Stenhouse adducts in organic solvents.","Chemical communications (Cambridge, England)","2016","52","93","13576","13579","10.1039/c6cc08079k","","","0.71073","MoKα","","0.1297","0.0539","","","0.1105","0.145","","","","","","0.97","","","","has coordinates","234643","2020-10-21","18:00:00",""
"7125263","7.787","0.009","9.08","0.012","12.994","0.016","106.14","0.07","91.08","0.07","94.96","0.07","878.4","1.9","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C19 H21 N O6 -","- C19 H21 N O6 -","- C38 H42 N2 O12 -","2","1","","Mallo, Neil; Brown, Patrick T.; Iranmanesh, Hasti; MacDonald, Thomas S. C.; Teusner, Matthew J.; Harper, Jason B.; Ball, Graham E.; Beves, Jonathon E.","Photochromic switching behaviour of donor-acceptor Stenhouse adducts in organic solvents.","Chemical communications (Cambridge, England)","2016","52","93","13576","13579","10.1039/c6cc08079k","","","0.71073","MoKα","","0.1091","0.0598","","","0.1305","0.1527","","","","","","0.981","","","","has coordinates","234643","2020-10-21","18:00:00",""
"7125264","10.2","0.003","12.903","0.003","14.787","0.003","90","","90","","90","","1946.1","0.8","150","2","150","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C19 H21 N O6 -","- C19 H21 N O6 -","- C76 H84 N4 O24 -","4","1","","Mallo, Neil; Brown, Patrick T.; Iranmanesh, Hasti; MacDonald, Thomas S. C.; Teusner, Matthew J.; Harper, Jason B.; Ball, Graham E.; Beves, Jonathon E.","Photochromic switching behaviour of donor-acceptor Stenhouse adducts in organic solvents.","Chemical communications (Cambridge, England)","2016","52","93","13576","13579","10.1039/c6cc08079k","","","0.71073","MoKα","","0.2424","0.0843","","","0.1451","0.2131","","","","","","0.921","","","","has coordinates","234643","2020-10-21","18:00:00",""
"7125265","7.3465","0.0006","12.3261","0.001","18.1727","0.0012","90","","95.772","0.002","90","","1637.3","0.2","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H19 N O5 -","- C18 H19 N O5 -","- C72 H76 N4 O20 -","4","1","","Mallo, Neil; Brown, Patrick T.; Iranmanesh, Hasti; MacDonald, Thomas S. C.; Teusner, Matthew J.; Harper, Jason B.; Ball, Graham E.; Beves, Jonathon E.","Photochromic switching behaviour of donor-acceptor Stenhouse adducts in organic solvents.","Chemical communications (Cambridge, England)","2016","52","93","13576","13579","10.1039/c6cc08079k","","","0.71073","MoKα","","0.0428","0.0374","","","0.0946","0.0983","","","","","","1.054","","","","has coordinates","234643","2020-10-21","18:00:00",""
"7125266","18.99","0.004","5.418","0.0011","17.32","0.004","90","","113.9","0.03","90","","1629.2","0.7","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H18 F N O5 -","- C18 H18 F N O5 -","- C72 H72 F4 N4 O20 -","4","1","","Mallo, Neil; Brown, Patrick T.; Iranmanesh, Hasti; MacDonald, Thomas S. C.; Teusner, Matthew J.; Harper, Jason B.; Ball, Graham E.; Beves, Jonathon E.","Photochromic switching behaviour of donor-acceptor Stenhouse adducts in organic solvents.","Chemical communications (Cambridge, England)","2016","52","93","13576","13579","10.1039/c6cc08079k","","","0.71073","Synchrotron","","0.0491","0.0432","","","0.1098","0.114","","","","","","1.061","","","","has coordinates","234643","2020-10-21","18:00:00",""
"7125267","15.6911","0.0013","7.8759","0.0007","19.8219","0.0014","90","","106.907","0.002","90","","2343.7","0.3","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C25 H30 N2 O3 S -","- C25 H30 N2 O3 S -","- C100 H120 N8 O12 S4 -","4","1","","Kumar, Ravi; Thorat, Shridhar H.; Reddy, Maddi Sridhar","Cu-Catalyzed iminative hydroolefination of unactivated alkynes en route to 4-imino-tetrahydropyridines and 4-aminopyridines.","Chemical communications (Cambridge, England)","2016","52","92","13475","13478","10.1039/c6cc08081b","","","0.71073","MoKα","","0.0767","0.0484","","","0.1176","0.1417","","","","","","1.098","","","","has coordinates","234645","2020-10-21","18:00:00",""
"7125268","14.6718","0.0005","22.9104","0.0008","23.5888","0.0009","90","","104.564","0.004","90","","7674.3","0.5","145","2","145","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C72 H110 Cl4 N7 O10 -","- C72 H109 Cl4 N7 O10 -","- C288 H436 Cl16 N28 O40 -","4","1","","Lavendomme, Roy; Marcélis, Lionel; Wouters, Johan; Luhmer, Michel; Jabin, Ivan","A nano-sized container for specific encapsulation of isolated water molecules.","Chemical communications (Cambridge, England)","2016","52","98","14109","14112","10.1039/c6cc08096k","","","0.71073","MoKα","","0.1167","0.0929","","","0.2554","0.2772","","","","","","1.025","","","","has coordinates","234647","2020-10-21","18:00:00",""
"7125269","14.318","0.002","11.54","0.0017","14.975","0.002","90","","93.52","0.002","90","","2469.6","0.6","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C27 H36 N3 U -","- C27 H36 N3 U -","- C108 H144 N12 U4 -","4","1","","Behrle, Andrew C.; Myers, Alexander J.; Rungthanaphatsophon, Pokpong; Lukens, Wayne W.; Barnes, Charles L.; Walensky, Justin R.","Uranium(iii) and thorium(iv) alkyl complexes as potential starting materials.","Chemical communications (Cambridge, England)","2016","52","100","14373","14375","10.1039/c6cc08105c","","","0.71073","MoKα","","0.031","0.0233","","","0.0496","0.0524","","","","","","1.033","","","","has coordinates","234650","2020-10-21","18:00:00",""
"7125270","9.59","0.002","11.143","0.002","11.619","0.002","88.275","0.002","77.613","0.002","87.316","0.002","1211.1","0.4","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C27 H35 Cl0 N3 Th -","- C27 H35 N3 Th -","- C54 H70 N6 Th2 -","2","1","","Behrle, Andrew C.; Myers, Alexander J.; Rungthanaphatsophon, Pokpong; Lukens, Wayne W.; Barnes, Charles L.; Walensky, Justin R.","Uranium(iii) and thorium(iv) alkyl complexes as potential starting materials.","Chemical communications (Cambridge, England)","2016","52","100","14373","14375","10.1039/c6cc08105c","","","0.71073","MoKα","","0.0289","0.0262","","","0.0648","0.0661","","","","","","1.055","","","","has coordinates","234650","2020-10-21","18:00:00",""
"7125271","14.983","0.006","25.115","0.011","27.353","0.012","90","","92.488","0.006","90","","10283","8","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C111 H116 O S8 Th -","- C111 H116 O S8 Th -","- C444 H464 O4 S32 Th4 -","4","1","","Behrle, Andrew C.; Myers, Alexander J.; Rungthanaphatsophon, Pokpong; Lukens, Wayne W.; Barnes, Charles L.; Walensky, Justin R.","Uranium(iii) and thorium(iv) alkyl complexes as potential starting materials.","Chemical communications (Cambridge, England)","2016","52","100","14373","14375","10.1039/c6cc08105c","","","0.71073","MoKα","","0.1083","0.068","","","0.1292","0.1443","","","","","","1.074","","","","has coordinates","234650","2020-10-21","18:00:00",""
"7125272","15.004","0.0012","25.0884","0.0019","27.253","0.002","90","","92.527","0.001","90","","10248.8","1.4","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C118 H124 O S8 U -","- C118 H124 O S8 U -","- C472 H496 O4 S32 U4 -","4","1","","Behrle, Andrew C.; Myers, Alexander J.; Rungthanaphatsophon, Pokpong; Lukens, Wayne W.; Barnes, Charles L.; Walensky, Justin R.","Uranium(iii) and thorium(iv) alkyl complexes as potential starting materials.","Chemical communications (Cambridge, England)","2016","52","100","14373","14375","10.1039/c6cc08105c","","","0.71073","MoKα","","0.0953","0.0611","","","0.1276","0.1437","","","","","","1.051","","","","has coordinates","234650","2020-10-21","18:00:00",""
"7125273","30.3787","0.0016","19.6365","0.001","32.742","0.003","90","","109.719","0.0013","90","","18386","2","220","2","220","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","TBA-C4-[3]Rotaxane","","- C180 H200 Cl18 N17 O12 P -","- C180 H200 Cl18 N17 O12 P -","- C720 H800 Cl72 N68 O48 P4 -","4","0.5","","Qiao, Bo; Liu, Yun; Lee, Semin; Pink, Maren; Flood, Amar H.","A high-yield synthesis and acid-base response of phosphate-templated [3]rotaxanes.","Chemical communications (Cambridge, England)","2016","52","94","13675","13678","10.1039/c6cc08113d","","","0.71073","MoKα","","0.1781","0.1234","","","0.3704","0.4377","","","","","","1.225","","","","has coordinates,has disorder","234653","2020-10-21","18:00:00",""
"7125274","36.9585","0.0019","36.9585","0.0019","36.9585","0.0019","90","","90","","90","","50483","4","230","2","230","2","","","","","","","","3","P 43 3 2","P 4acd 2ab 3","212","","PC3-pseudorotaxane-SQUEEZE","","- C130 H130 N10 -","- C130 H130 N10 -","- C1560 H1560 N120 -","12","0.5","","Qiao, Bo; Liu, Yun; Lee, Semin; Pink, Maren; Flood, Amar H.","A high-yield synthesis and acid-base response of phosphate-templated [3]rotaxanes.","Chemical communications (Cambridge, England)","2016","52","94","13675","13678","10.1039/c6cc08113d","","","0.71073","MoKα","","0.1646","0.1118","","","0.2719","0.295","","","","","","1.587","","","","has coordinates,has disorder","234653","2020-10-21","18:00:00",""
"7125275","8.9587","0.0007","8.4815","0.0005","27.445","0.002","90","","92.802","0.004","90","","2082.9","0.3","296","2","296","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C26 H24 O3 -","- C26 H24 O3 -","- C104 H96 O12 -","4","1","","Tharra, Prabhakararao; Baire, Beeraiah","Regioselective, cascade [3+2] annulation of β-naphthols (resorcinols) with Z-enoate propargylic alcohols: a novel entry for the synthesis of complex naphtho(benzo)furans.","Chemical communications (Cambridge, England)","2016","52","99","14290","14293","10.1039/c6cc08126f","","","0.71073","MoKα","","0.0637","0.0471","","","0.1169","0.1311","","","","","","1.045","","","","has coordinates,has disorder","234656","2020-10-21","18:00:00",""
"7125276","16.9652","0.0011","13.3015","0.0008","18.3142","0.0011","90","","108.16","0.001","90","","3927","0.4","200","2","200","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","5-(dicyclohexylamino)-6a-(4-(methylthio)phenyl)-6a,7-dihydro-5H-dibenzo[c,g]chromen-7-yl)(4-(methylthio)phenyl)methanone","","- C47 H54 N O2 S2 -","- C47 H54 N O2 S2 -","- C188 H216 N4 O8 S8 -","4","1","","Ruch, Aaron A.; Kong, Fanji; Nesterov, Vladimir N.; Slaughter, LeGrande M","Tetracyclic dihydronaphthalene derivatives via gold-catalyzed aminative homodimerization of ortho-alkynylbenzaldehydes.","Chemical communications (Cambridge, England)","2016","52","98","14133","14136","10.1039/c6cc08132k","","x-ray","0.71073","MoKα","","0.0528","0.044","","","0.1155","0.1246","","","","","","1.004","","","","has coordinates,has disorder","234659","2020-10-21","18:00:00",""
"7125277","13.279","0.0006","14.462","0.0007","15.6401","0.0012","100.277","0.001","96.426","0.001","115.812","0.001","2598.8","0.3","200","2","200","2","","","","","","","","7","P -1","-P 1","2","chloride-bridge cyclohexyl-Johnphos-gold(I) dimer, SbF6- salt","mu-chlorobis[(2-biphenyldicyclohexylphosphine)gold(I)] hexafluoroantimonate","","- C50 H66 Au2 Cl3 F6 P2 Sb -","- C50 H66 Au2 Cl3 F6 P2 Sb -","- C100 H132 Au4 Cl6 F12 P4 Sb2 -","2","1","","Ruch, Aaron A.; Kong, Fanji; Nesterov, Vladimir N.; Slaughter, LeGrande M","Tetracyclic dihydronaphthalene derivatives via gold-catalyzed aminative homodimerization of ortho-alkynylbenzaldehydes.","Chemical communications (Cambridge, England)","2016","52","98","14133","14136","10.1039/c6cc08132k","","x-ray","0.71073","MoKα","","0.0327","0.0291","","","0.0798","0.0829","","","","","","1.034","","","","has coordinates","234659","2020-10-21","18:00:00",""
"7125278","11.0496","0.0007","12.2287","0.0008","14.2619","0.001","64.774","0.001","82.424","0.001","88.269","0.001","1727.4","0.2","200","2","200","2","","","","","","","","6","P -1","-P 1","2","","5-(dicyclohexylamino)-2,9-difluoro-6a-phenyl-6a,7-dihydro- 5H-dibenzo[c,g]chromen-7-yl)(phenyl)methanone","","- C42.5 H42 Cl F2 N O2 -","- C42.5 H42 Cl F2 N O2 -","- C85 H84 Cl2 F4 N2 O4 -","2","1","","Ruch, Aaron A.; Kong, Fanji; Nesterov, Vladimir N.; Slaughter, LeGrande M","Tetracyclic dihydronaphthalene derivatives via gold-catalyzed aminative homodimerization of ortho-alkynylbenzaldehydes.","Chemical communications (Cambridge, England)","2016","52","98","14133","14136","10.1039/c6cc08132k","","x-ray","0.71073","MoKα","","0.0926","0.0723","","","0.1933","0.2113","","","","","","1.04","","","","has coordinates","234659","2020-10-21","18:00:00",""
"7125279","10.8442","0.0008","13.8546","0.0011","18.575","0.0014","90","","92.116","0.001","90","","2788.8","0.4","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","5-(Diisopropylamino)-6a-phenyl-6a,7-dihydro-5H-dibenzo[c,g]chromen-7-yl)(phenyl)methanone","","- C36 H35 N O2 -","- C36 H35 N O2 -","- C144 H140 N4 O8 -","4","1","","Ruch, Aaron A.; Kong, Fanji; Nesterov, Vladimir N.; Slaughter, LeGrande M","Tetracyclic dihydronaphthalene derivatives via gold-catalyzed aminative homodimerization of ortho-alkynylbenzaldehydes.","Chemical communications (Cambridge, England)","2016","52","98","14133","14136","10.1039/c6cc08132k","","x-ray","0.71073","MoKα","","0.0497","0.0403","","","0.0971","0.1039","","","","","","1.027","","","","has coordinates","234659","2020-10-21","18:00:00",""
"7125280","12.6921","0.001","17.3656","0.0014","14.0302","0.0012","90","","99.986","0.001","90","","3045.5","0.4","200","2","200","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","5-(diisopropylamino)-6a-(4-methoxyphenyl)-6a,7-dihydro-5H-dibenzo[c,g]chromen-7-yl)(4-methoxyphenyl)methanone","","- C38 H39 N O4 -","- C38 H39 N O4 -","- C152 H156 N4 O16 -","4","1","","Ruch, Aaron A.; Kong, Fanji; Nesterov, Vladimir N.; Slaughter, LeGrande M","Tetracyclic dihydronaphthalene derivatives via gold-catalyzed aminative homodimerization of ortho-alkynylbenzaldehydes.","Chemical communications (Cambridge, England)","2016","52","98","14133","14136","10.1039/c6cc08132k","","x-ray","0.71073","MoKα","","0.0614","0.049","","","0.1215","0.1326","","","","","","1.05","","","","has coordinates,has disorder","234659","2020-10-21","18:00:00",""
"7125281","10.7269","0.0006","11.206","0.0008","14.4819","0.0009","86.134","0.005","88.938","0.005","81.551","0.006","1717.93","0.19","100.01","0.1","100.01","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C39 H53 Ge N2 O -","- C39 H53 Ge N2 O -","- C78 H106 Ge2 N4 O2 -","2","1","","Wu, Yile; Shan, Changkai; Sun, Ying; Chen, Peng; Ying, Jianxi; Zhu, Jun; Liu, Liu Leo; Zhao, Yufen","Main group metal-ligand cooperation of N-heterocyclic germylene: an efficient catalyst for hydroboration of carbonyl compounds.","Chemical communications (Cambridge, England)","2016","52","95","13799","13802","10.1039/c6cc08147a","","x-ray","1.54184","CuKα","","0.0734","0.0618","","","0.1661","0.197","","","","","","1.08","","","","has coordinates","234662","2020-10-21","18:00:00",""
"7125282","5.6126","0.0011","8.3452","0.0017","12.339","0.003","88.55","0.03","78.74","0.03","87.54","0.03","566.2","0.2","296","2","296","2","","","","","","","","3","P -1","-P 1","2","","","","- C28 H24 O4 -","- C28 H24 O4 -","- C28 H24 O4 -","1","0.5","","Zhou, Yuefeng; Ma, Jun; Chen, Kai; Jiang, Huanfeng; Zhu, Shifa","Selectivity-switchable oxidation of tetraarylethylenes to fused polycyclic compounds.","Chemical communications (Cambridge, England)","2016","52","91","13345","13348","10.1039/c6cc08155j","","","0.71073","MoKα","","0.054","0.045","","","0.1259","0.1323","","","","","","1.0654","","","","has coordinates","234664","2020-10-21","18:00:00",""
"7125283","10.4453","0.0016","10.599","0.0016","10.8669","0.0018","86.506","0.004","84.424","0.003","71.57","0.003","1135.4","0.3","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- C28 H24 O6 -","- C28 H24 O6 -","- C56 H48 O12 -","2","1","","Zhou, Yuefeng; Ma, Jun; Chen, Kai; Jiang, Huanfeng; Zhu, Shifa","Selectivity-switchable oxidation of tetraarylethylenes to fused polycyclic compounds.","Chemical communications (Cambridge, England)","2016","52","91","13345","13348","10.1039/c6cc08155j","","","0.71073","MoKα","","0.0825","0.0567","","","0.1442","0.163","","","","","","1.019","","","","has coordinates","234664","2020-10-21","18:00:00",""
"7125284","10.2062","0.0014","19.416","0.003","10.5696","0.0014","90","","109.487","0.003","90","","1974.5","0.5","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C26 H20 O3 -","- C26 H20 O3 -","- C104 H80 O12 -","4","1","","Zhou, Yuefeng; Ma, Jun; Chen, Kai; Jiang, Huanfeng; Zhu, Shifa","Selectivity-switchable oxidation of tetraarylethylenes to fused polycyclic compounds.","Chemical communications (Cambridge, England)","2016","52","91","13345","13348","10.1039/c6cc08155j","","","0.71073","MoKα","","0.0708","0.0551","","","0.1314","0.141","","","","","","1.056","","","","has coordinates","234664","2020-10-21","18:00:00",""
"7125285","15.5616","0.0004","24.9422","0.0005","15.8574","0.0005","90","","104.681","0.003","90","","5954","0.3","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","2-3Te","2-3Te","","- C30 H30 O6 Te3 -","- C30 H30 O6 Te3 -","- C240 H240 O48 Te24 -","8","2","","Wang, Shitao; Li, Xuexiang; Hou, Xueqing; Sun, Yantao; Shao, Xiangfeng","Tritellurasumanene: ultrasound assisted one-pot synthesis and extended valence adducts with bromine.","Chemical communications (Cambridge, England)","2016","52","100","14486","14489","10.1039/c6cc08170c","","","0.71073","MoKα","","0.1187","0.0705","","","0.1499","0.1794","","","","","","1.022","","","","has coordinates","234668","2020-10-21","18:00:00",""
"7125286","8.3225","0.0003","15.076","0.0006","23.2305","0.0009","90","","95.2","0.04","90","","2902.7","0.3","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","2-2Te","2-2Te","","- C30 H32 O6 Te2 -","- C30 H32 O6 Te2 -","- C120 H128 O24 Te8 -","4","1","","Wang, Shitao; Li, Xuexiang; Hou, Xueqing; Sun, Yantao; Shao, Xiangfeng","Tritellurasumanene: ultrasound assisted one-pot synthesis and extended valence adducts with bromine.","Chemical communications (Cambridge, England)","2016","52","100","14486","14489","10.1039/c6cc08170c","","","1.5418","CuKα","","0.0699","0.0664","","","0.1805","0.1857","","","","","","1.086","","","","has coordinates","234668","2020-10-21","18:00:00",""
"7125287","10.889","0.002","10.89","0.002","18.299","0.004","86.12","0.03","86.29","0.03","71.19","0.03","2047.2","0.8","293","2","293","2","","","","","","","","5","P -1","-P 1","2","2-3TeBr6","","","- C30 H36 Br6 O9 Te3 -","- C30 H36 Br6 O9 Te3 -","- C60 H72 Br12 O18 Te6 -","2","1","","Wang, Shitao; Li, Xuexiang; Hou, Xueqing; Sun, Yantao; Shao, Xiangfeng","Tritellurasumanene: ultrasound assisted one-pot synthesis and extended valence adducts with bromine.","Chemical communications (Cambridge, England)","2016","52","100","14486","14489","10.1039/c6cc08170c","","","0.71073","MoKα","","0.1091","0.0936","","","0.1958","0.2274","","","","","","1.052","","","","has coordinates,has disorder","234668","2020-10-21","18:00:00",""
"7125288","8.2014","0.0004","10.9469","0.0006","12.241","0.0004","99.951","0.003","94.49","0.003","103.679","0.002","1043.58","0.09","150","0.1","150","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C23 H27 N3 O2 -","- C23 H27 N3 O2 -","- C46 H54 N6 O4 -","2","1","","El Mamouni, El Hachemia; Cattoen, Martin; Cordier, Marie; Cossy, Janine; Arseniyadis, Stellios; Ilitki, Hocine; El Kaïm, Laurent","Selective Tsuji-Trost type C-allylation of hydrazones: a straightforward entry into 4,5-dihydropyrazoles.","Chemical communications (Cambridge, England)","2016","52","100","14490","14493","10.1039/c6cc08171a","","","0.71069","MoKα","","0.0948","0.0597","","","0.1259","0.1458","","","","","","1.097","","","","has coordinates","234671","2020-10-21","18:00:00",""
"7125289","9.3834","0.0001","11.8498","0.0003","22.2318","0.0005","87.603","0.001","82.452","0.001","71.9","0.001","2329.3","0.08","150","0.1","150","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C26 H31 N3 O2 -","- C26 H31 N3 O2 -","- C104 H124 N12 O8 -","4","2","","El Mamouni, El Hachemia; Cattoen, Martin; Cordier, Marie; Cossy, Janine; Arseniyadis, Stellios; Ilitki, Hocine; El Kaïm, Laurent","Selective Tsuji-Trost type C-allylation of hydrazones: a straightforward entry into 4,5-dihydropyrazoles.","Chemical communications (Cambridge, England)","2016","52","100","14490","14493","10.1039/c6cc08171a","","","0.71069","MoKα","","0.0697","0.0524","","","0.1288","0.1425","","","","","","1.028","","","","has coordinates","234671","2020-10-21","18:00:00",""
"7125290","29.5009","0.0005","7.6614","0.0002","21.6674","0.0005","90","","92.924","0.001","90","","4890.85","0.19","150","0.1","150","0.1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C25 H27 N4 O5 P -","- C25 H27 N4 O5 P -","- C200 H216 N32 O40 P8 -","8","1","","El Mamouni, El Hachemia; Cattoen, Martin; Cordier, Marie; Cossy, Janine; Arseniyadis, Stellios; Ilitki, Hocine; El Kaïm, Laurent","Selective Tsuji-Trost type C-allylation of hydrazones: a straightforward entry into 4,5-dihydropyrazoles.","Chemical communications (Cambridge, England)","2016","52","100","14490","14493","10.1039/c6cc08171a","","","0.71069","MoKα","","0.097","0.0737","","","0.1934","0.2136","","","","","","1.062","","","","has coordinates,has disorder","234671","2020-10-21","18:00:00",""
"7125291","17.5411","0.0005","17.5411","0.0005","34.6975","0.0015","90","","90","","90","","10676.1","0.6","240","0.1","240","0.1","","","","","","","","7","I 4/m m m","-I 4 2","139","","","","- C24 H24 Cu4 I4 N4 O16 Zr3 -","- C24 H24 Cu4 I4 N4 O16 Zr3 -","- C96 H96 Cu16 I16 N16 O64 Zr12 -","4","0.125","","Tan, Yan-Xi; Yang, Xue; Li, Bei-Bei; Yuan, Daqiang","Rational design of a flu-type heterometallic cluster-based Zr-MOF.","Chemical communications (Cambridge, England)","2016","52","94","13671","13674","10.1039/c6cc08191f","","","1.54184","CuKα","","0.0391","0.0343","","","0.0967","0.1011","","","","","","1.061","","","","has coordinates","234673","2020-10-21","18:00:00",""
"7125292","7.88851","0.00018","8.9545","0.0002","14.9033","0.0003","92.1745","0.0019","99.8465","0.0019","107.839","0.002","982.77","0.04","150","","150","","","","","","","","","6","P -1","-P 1","2","","","","- C20 H18 Br N O5 S -","- C20 H18 Br N O5 S -","- C40 H36 Br2 N2 O10 S2 -","2","1","","Modak, Atanu; Mondal, Anirban; Watile, Rahul; Mukherjee, Semanti; Maiti, Debabrata","Remote meta C-H bond functionalization of 2-phenethylsulphonic acid and 3-phenylpropanoic acid derivatives.","Chemical communications (Cambridge, England)","2016","52","96","13916","13919","10.1039/c6cc08302a","","x-ray","0.71073","MoKα","","0.0301","0.0266","","","0.0661","0.0675","","","","","","1.07","","","","has coordinates","234675","2020-10-21","18:00:00",""
"7125293","8.3702","0.001","12.3731","0.0011","13.2427","0.0008","108.688","0.007","105.715","0.008","98.948","0.009","1205.6","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C25 H26 N2 O6 S -","- C25 H26 N2 O6 S -","- C50 H52 N4 O12 S2 -","2","1","","Modak, Atanu; Mondal, Anirban; Watile, Rahul; Mukherjee, Semanti; Maiti, Debabrata","Remote meta C-H bond functionalization of 2-phenethylsulphonic acid and 3-phenylpropanoic acid derivatives.","Chemical communications (Cambridge, England)","2016","52","96","13916","13919","10.1039/c6cc08302a","","x-ray","0.71073","MoKα","","0.0919","0.0644","","","0.1559","0.1798","","","","","","1.024","","","","has coordinates","234675","2020-10-21","18:00:00",""
"7125294","8.6647","0.0006","15.3884","0.0011","17.0772","0.0012","90","","90","","90","","2277","0.3","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","4h","4h","","- C21 H23 Br F3 N O6 -","- C21 H23 Br F3 N O6 -","- C84 H92 Br4 F12 N4 O24 -","4","1","","Zhi, Ying; Zhao, Kun; Liu, Qiang; Wang, Ai; Enders, Dieter","Asymmetric synthesis of functionalized trifluoromethyl-substituted pyrrolidines via an organocatalytic domino Michael/Mannich [3+2] cycloaddition.","Chemical communications (Cambridge, England)","2016","52","97","14011","14014","10.1039/c6cc08352h","","","0.71073","MoKα","","0.0515","0.0367","","","0.0797","0.0837","","","","","","1.032","","","","has coordinates","234677","2020-10-21","18:00:00",""
"7125295","27.556","0.0019","7.4414","0.0005","19.1328","0.0015","90","","109.435","0.003","90","","3699.7","0.5","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C26 H19 N O -","- C26 H19 N O -","- C208 H152 N8 O8 -","8","2","","Bagle, Pradip N.; Mane, Manoj V.; Vanka, K.; Shinde, Dinesh R.; Shaikh, Samir R.; Gonnade, Rajesh G.; Patil, Nitin T.","Au(i)/Ag(i) co-operative catalysis: interception of Ag-bound carbocations with α-gold(i) enals in the imino-alkyne cyclizations with N-allenamides.","Chemical communications (Cambridge, England)","2016","52","100","14462","14465","10.1039/c6cc08385d","","","0.71073","MoKα","","0.0625","0.0571","","","0.1469","0.154","","","","","","1.104","","","","has coordinates","234679","2020-10-21","18:00:00",""
"7125296","12.108","0.003","12.5","0.002","18.24","0.004","76.07","0.011","74.442","0.011","82.349","0.011","2574.3","1","150","2","149.99","","","","","","","","","9","P -1","-P 1","2","","","","- C56 H46 Br Cl2 F4 O3 P3 Pd S -","- C56 H46 Br Cl2 F4 O3 P3 Pd S -","- C112 H92 Br2 Cl4 F8 O6 P6 Pd2 S2 -","2","1","","Firth, Kelly F.; Möbus, Juri; Stephan, Douglas W.","A pendant phosphorus Lewis acid: route to a palladium-benzoyl derived phosphorane.","Chemical communications (Cambridge, England)","2016","52","97","13967","13970","10.1039/c6cc08561j","","","0.71073","MoKα","","0.079","0.0582","","","0.1503","0.1647","","","","","","1.055","","","","has coordinates","234681","2020-10-21","18:00:00",""
"7125297","12.225","0.0005","12.671","0.0005","19.4112","0.0008","98.543","0.002","90.489","0.002","118.142","0.002","2611.3","0.19","150","2","150.02","","","","","","","","","6","P -1","-P 1","2","","","","- C63 H53 Br F2 P3 Pd -","- C63 H53 Br F2 P3 Pd -","- C126 H106 Br2 F4 P6 Pd2 -","2","1","","Firth, Kelly F.; Möbus, Juri; Stephan, Douglas W.","A pendant phosphorus Lewis acid: route to a palladium-benzoyl derived phosphorane.","Chemical communications (Cambridge, England)","2016","52","97","13967","13970","10.1039/c6cc08561j","","","0.71073","MoKα","","0.0366","0.0277","","","0.0678","0.0717","","","","","","1.0313","","","","has coordinates","234681","2020-10-21","18:00:00",""
"7125298","14.2329","0.0009","20.4798","0.0013","19.1729","0.0011","90","","96.688","0.003","90","","5550.6","0.6","150","2","149.99","","","","","","","","","9","P 1 21/c 1","-P 2ybc","14","","","","- C57.5 H47 Br Cl3 F4 O4 P3 Pd S -","- C57.5 H47 Br Cl3 F4 O4 P3 Pd S -","- C230 H188 Br4 Cl12 F16 O16 P12 Pd4 S4 -","4","1","","Firth, Kelly F.; Möbus, Juri; Stephan, Douglas W.","A pendant phosphorus Lewis acid: route to a palladium-benzoyl derived phosphorane.","Chemical communications (Cambridge, England)","2016","52","97","13967","13970","10.1039/c6cc08561j","","","0.71073","MoKα","","0.0632","0.039","","","0.0813","0.0898","","","","","","1.028","","","","has coordinates,has disorder","234681","2020-10-21","18:00:00",""
"7125299","10.3977","0.0003","14.1488","0.0004","22.4532","0.0007","90.093","0.001","90.531","0.0011","90.097","0.001","3303.05","0.17","100","","100","","","","","","","","","6","P -1","-P 1","2","NiCycP","[Ni([(1,4,8,11-tetraazacyclotetradecan-1-yl)methylene]phosphonic acid)]n","","- C22 H54 N8 Ni2 O10.01 P2 -","- C22 H54 N8 Ni2 O10 P2 -","- C88 H216 N32 Ni8 O40 P8 -","4","2","","Neri, Gaia; Forster, Mark; Walsh, James J.; Robertson, C. M.; Whittles, T. J.; Farràs, Pau; Cowan, Alexander J.","Photochemical CO<sub>2</sub> reduction in water using a co-immobilised nickel catalyst and a visible light sensitiser.","Chemical communications (Cambridge, England)","2016","52","99","14200","14203","10.1039/c6cc08590c","","","0.71073","MoKα","","0.0762","0.064","","","0.1399","0.1443","","","","","","1.116","","","","has coordinates","234685","2020-10-21","18:00:00",""
"7125300","13.936","0.007","7.077","0.003","22.807","0.01","90","","90","","90","","2249.3","1.8","200","2","200","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C15 H10 N2 -","- C15 H10 N2 -","- C120 H80 N16 -","8","1","","Liao, Zhen-Yuan; Liao, Pen-Yuan; Chien, Tun-Cheng","CuI-Catalyzed intramolecular aminocyanation of terminal alkynes in N-(2-ethynylphenyl)-N-sulfonylcyanamides via Cu-vinylidene intermediates.","Chemical communications (Cambridge, England)","2016","52","100","14404","14407","10.1039/c6cc08601b","","","0.71073","MoKα","","0.1301","0.0582","","","0.1137","0.1461","","","","","","0.976","","","","has coordinates","234689","2020-10-21","18:00:00",""
"7125301","9.3811","0.0004","20.8484","0.001","8.6963","0.0004","90","","99.098","0.002","90","","1679.43","0.13","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H16 N2 O2 S -","- C19 H16 N2 O2 S -","- C76 H64 N8 O8 S4 -","4","1","","Liao, Zhen-Yuan; Liao, Pen-Yuan; Chien, Tun-Cheng","CuI-Catalyzed intramolecular aminocyanation of terminal alkynes in N-(2-ethynylphenyl)-N-sulfonylcyanamides via Cu-vinylidene intermediates.","Chemical communications (Cambridge, England)","2016","52","100","14404","14407","10.1039/c6cc08601b","","","0.71073","MoKα","","0.0786","0.0536","","","0.1392","0.1575","","","","","","1.026","","","","has coordinates","234689","2020-10-21","18:00:00",""
"7125302","9.0829","0.0015","10.2351","0.0014","15.664","0.002","90","","97.384","0.01","90","","1444.1","0.4","200","2","200","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H12 N2 O2 S -","- C16 H12 N2 O2 S -","- C64 H48 N8 O8 S4 -","4","1","","Liao, Zhen-Yuan; Liao, Pen-Yuan; Chien, Tun-Cheng","CuI-Catalyzed intramolecular aminocyanation of terminal alkynes in N-(2-ethynylphenyl)-N-sulfonylcyanamides via Cu-vinylidene intermediates.","Chemical communications (Cambridge, England)","2016","52","100","14404","14407","10.1039/c6cc08601b","","","0.71073","MoKα","","0.1015","0.0529","","","0.1059","0.1274","","","","","","1.017","","","","has coordinates","234689","2020-10-21","18:00:00",""
"7125303","11.111","0.0006","17.6697","0.0012","22.6965","0.0014","90","","90","","90","","4456","0.5","150","2","150","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C45 H21 Dy F18 N2 O6 -","- C45 H21 Dy F18 N2 O6 -","- C180 H84 Dy4 F72 N8 O24 -","4","1","","Ou-Yang, J-K; Saleh, N.; Fernandez Garcia, G.; Norel, L.; Pointillart, F.; Guizouarn, T.; Cador, O.; Totti, F.; Ouahab, L.; Crassous, J.; Le Guennic, B.","Improved slow magnetic relaxation in optically pure helicene-based Dy<sup>III</sup> single molecule magnets.","Chemical communications (Cambridge, England)","2016","52","100","14474","14477","10.1039/c6cc08638a","","","0.71073","MoKα","","0.0471","0.0377","","","0.0803","0.0982","","","","","","1.109","","","","has coordinates","234691","2020-10-21","18:00:00",""
"7125304","11.1191","0.0009","17.6604","0.0018","22.693","0.002","90","","90","","90","","4456.2","0.7","150","2","150","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C45 H21 Dy F18 N2 O6 -","- C45 H21 Dy F18 N2 O6 -","- C180 H84 Dy4 F72 N8 O24 -","4","1","","Ou-Yang, J-K; Saleh, N.; Fernandez Garcia, G.; Norel, L.; Pointillart, F.; Guizouarn, T.; Cador, O.; Totti, F.; Ouahab, L.; Crassous, J.; Le Guennic, B.","Improved slow magnetic relaxation in optically pure helicene-based Dy<sup>III</sup> single molecule magnets.","Chemical communications (Cambridge, England)","2016","52","100","14474","14477","10.1039/c6cc08638a","","","0.71073","MoKα","","0.1638","0.0814","","","0.1666","0.2315","","","","","","0.992","","","","has coordinates","234691","2020-10-21","18:00:00",""
"7125305","13.216","0.0005","13.9132","0.0006","14.5959","0.0006","67.984","0.002","72.454","0.002","84.724","0.002","2371.71","0.17","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C48 H28 Dy F18 N2 O6 -","- C48 H28 Dy F18 N2 O6 -","- C96 H56 Dy2 F36 N4 O12 -","2","1","","Ou-Yang, J-K; Saleh, N.; Fernandez Garcia, G.; Norel, L.; Pointillart, F.; Guizouarn, T.; Cador, O.; Totti, F.; Ouahab, L.; Crassous, J.; Le Guennic, B.","Improved slow magnetic relaxation in optically pure helicene-based Dy<sup>III</sup> single molecule magnets.","Chemical communications (Cambridge, England)","2016","52","100","14474","14477","10.1039/c6cc08638a","","","0.71073","MoKα","","0.043","0.0369","","","0.1012","0.1116","","","","","","1.102","","","","has coordinates,has disorder","234691","2020-10-21","18:00:00",""
"7125306","13.0425","0.0003","10.2377","0.0003","16.1011","0.0004","90","","109.601","0.001","90","","2025.32","0.09","273","2","273","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C28 H19 N O -","- C28 H19 N O -","- C112 H76 N4 O4 -","4","2","","Hornillos, Valentín; Ros, Abel; Ramírez-López, Pedro; Iglesias-Sigüenza, Javier; Fernández, Rosario; Lassaletta, José M","Synthesis of axially chiral heterobiaryl alkynes via dynamic kinetic asymmetric alkynylation.","Chemical communications (Cambridge, England)","2016","52","98","14121","14124","10.1039/c6cc08997f","","","1.54178","CuKα","","0.0322","0.032","","","0.1021","0.1025","","","","","","0.98","","","","has coordinates","234694","2020-10-21","18:00:00",""
"7125307","7.6244","0.0004","7.9489","0.0004","18.4283","0.0009","90","","93.193","0.002","90","","1115.12","0.1","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C32 H21 N O -","- C32 H21 N O -","- C64 H42 N2 O2 -","2","1","","Hornillos, Valentín; Ros, Abel; Ramírez-López, Pedro; Iglesias-Sigüenza, Javier; Fernández, Rosario; Lassaletta, José M","Synthesis of axially chiral heterobiaryl alkynes via dynamic kinetic asymmetric alkynylation.","Chemical communications (Cambridge, England)","2016","52","98","14121","14124","10.1039/c6cc08997f","","","1.54175","CuKα","","0.0383","0.0378","","","0.108","0.1088","","","","","","1.058","","","","has coordinates","234694","2020-10-21","18:00:00",""
"7125308","6.2373","0.0003","36.3214","0.0019","8.6667","0.0003","90","","94.598","0.004","90","","1957.1","0.16","150","","150","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C22 H25 N O5 -","- C22 H25 N O5 -","- C88 H100 N4 O20 -","4","1","","Fuentes de Arriba, Angel L.; Urbitsch, Felix; Dixon, Darren J.","Umpolung synthesis of branched α-functionalized amines from imines via photocatalytic three-component reductive coupling reactions.","Chemical communications (Cambridge, England)","2016","52","100","14434","14437","10.1039/c6cc09172e","","","1.54184","CuKα","","0.0626","0.0542","","0.1311","0.1262","0.1311","","","","","","0.935","","","","has coordinates","234696","2020-10-21","18:00:00",""
"7154726","23.8959","0.0008","5.8737","0.0002","27.367","0.001","90","","111.579","0.0013","90","","3571.9","0.2","103","2","103","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C23 H21 F N2 -","- C23 H21 F N2 -","- C184 H168 F8 N16 -","8","2","","Chen, Hui; Kaga, Atsushi; Chiba, Shunsuke","anti-Selective aminofluorination of alkenes with amidines mediated by hypervalent iodine(iii) reagents.","Organic & biomolecular chemistry","2016","14","24","5481","5485","10.1039/c5ob01854d","","","0.71073","MoKα","","0.0846","0.0547","","","0.1238","0.1447","","","","","","1.035","","","","has coordinates","183760","2020-10-21","18:00:00",""
"7154733","11.2256","0.0013","19.596","0.003","7.9601","0.0012","90","","90","","90","","1751","0.4","150","","150","","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C20 H24 O Si -","- C20 H24 O Si -","- C80 H96 O4 Si4 -","4","1","","Rigsbee, E. M.; Zhou, C.; Rasik, C. M.; Spitz, A. Z.; Nichols, A. J.; Brown, M. K.","Lewis acid-promoted [2 + 2] cycloadditions of alkenes with aryl ketenes.","Organic & biomolecular chemistry","2016","14","24","5477","5480","10.1039/c5ob01837d","","","0.71073","MoKα","","0.0418","0.0354","","0.0944","0.0871","0.0944","","","","","","1.0075","","","","has coordinates","183767","2020-10-21","18:00:00",""
"7154763","5.9435","0.0004","12.4041","0.0008","16.5108","0.0011","90","","92.519","0.004","90","","1216.06","0.14","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C24 H26 N4 O8 -","- C24 H26 N4 O8 -","- C48 H52 N8 O16 -","2","1","","Muthukumarasamy, Kalai Mangai; Handore, Kishor L.; Kakade, Dipti N.; Shinde, Madhuri V.; Ranjan, Shashi; Kumar, Naveen; Sehrawat, Seema; Sachidanandan, Chetana; Reddy, D. Srinivasa","Identification of noreremophilane-based inhibitors of angiogenesis using zebrafish assays.","Organic & biomolecular chemistry","2016","14","5","1569","1578","10.1039/c5ob01594d","","","0.71073","MoKα","","0.0702","0.0545","","","0.1114","0.1181","","","","","","1.123","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7154769","11.8867","0.0001","8.0556","0.0001","12.3853","0.0001","90","","99.064","0.001","90","","1171.14","0.02","130","0.1","130","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","Benzoyl-Oxyma","","","- C12 H10 N2 O4 -","- C12 H10 N2 O4 -","- C48 H40 N8 O16 -","4","1","","Burugupalli, Satvika; Shah, Sayali; van der Peet, Phillip L.; Arora, Seep; White, Jonathan M.; Williams, Spencer J.","Investigation of benzoyloximes as benzoylating reagents: benzoyl-Oxyma as a selective benzoylating reagent.","Organic & biomolecular chemistry","2016","14","1","97","104","10.1039/c5ob02092a","","","1.5418","CuKα","","0.0355","0.0342","","","0.0955","0.0966","","","","","","1.065","","","","has coordinates","176198","2020-10-21","18:00:00",""
"7154770","5.902","0.0001","21.523","0.0003","11.2041","0.0002","90","","102.073","0.002","90","","1391.76","0.04","130","0.1","130","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","Benzoyl-tButylOxyma","","","- C14 H14 N2 O4 -","- C14 H14 N2 O4 -","- C56 H56 N8 O16 -","4","1","","Burugupalli, Satvika; Shah, Sayali; van der Peet, Phillip L.; Arora, Seep; White, Jonathan M.; Williams, Spencer J.","Investigation of benzoyloximes as benzoylating reagents: benzoyl-Oxyma as a selective benzoylating reagent.","Organic & biomolecular chemistry","2016","14","1","97","104","10.1039/c5ob02092a","","","1.5418","CuKα","","0.0437","0.0392","","","0.0972","0.1018","","","","","","1.034","","","","has coordinates","176198","2020-10-21","18:00:00",""
"7154773","5.206","0.003","14.978","0.009","16.033","0.009","90","","90","","90","","1250.2","1.3","93","","93","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C11 H19 N O6 -","- C11 H19 N O6 -","- C44 H76 N4 O24 -","4","1","","Johnson, Sherida; Tanaka, Fujie","Direct synthesis of C-glycosides from unprotected 2-N-acyl-aldohexoses via aldol condensation-oxa-Michael reactions with unactivated ketones.","Organic & biomolecular chemistry","2016","14","1","259","264","10.1039/c5ob02094h","","","1.54187","CuKα","","0.0825","0.0609","","","0.1401","0.1544","","","","","","1.082","","","","has coordinates","176197","2020-10-21","18:00:00",""
"7154774","5.008","0.002","8.002","0.004","17.346","0.008","90","","95.347","0.005","90","","692.1","0.5","173","","173","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C11 H21 N O7 -","- C11 H21 N O7 -","- C22 H42 N2 O14 -","2","1","","Johnson, Sherida; Tanaka, Fujie","Direct synthesis of C-glycosides from unprotected 2-N-acyl-aldohexoses via aldol condensation-oxa-Michael reactions with unactivated ketones.","Organic & biomolecular chemistry","2016","14","1","259","264","10.1039/c5ob02094h","","","0.71075","MoKα","","0.037","0.0332","","","0.0851","0.0877","","","","","","1.049","","","","has coordinates","176197","2020-10-21","18:00:00",""
"7154788","9.1961","0.0006","9.1334","0.0006","17.5805","0.0011","90","","97.135","0.002","90","","1465.18","0.16","125","","125","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C14 H22 F4 O2 -","- C14 H22 F4 O2 -","- C56 H88 F16 O8 -","4","2","","Corr, Michael J.; Cormanich, Rodrigo A.; von Hahmann, Cortney N.; Bühl, Michael; Cordes, David B.; Slawin, Alexandra M. Z.; O'Hagan, David","Fluorine in fragrances: exploring the difluoromethylene (CF2) group as a conformational constraint in macrocyclic musk lactones.","Organic & biomolecular chemistry","2016","14","1","211","219","10.1039/c5ob02023a","","","1.54187","CuKα","","","0.0495","","","","0.1415","","","","","","1.058","","","","has coordinates","176193","2020-10-21","18:00:00",""
"7154789","5.3073","0.0014","10.169","0.003","26.061","0.007","90","","90","","90","","1406.5","0.7","93","","93","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C14 H24 F2 O2 -","- C14 H24 F2 O2 -","- C56 H96 F8 O8 -","4","1","","Corr, Michael J.; Cormanich, Rodrigo A.; von Hahmann, Cortney N.; Bühl, Michael; Cordes, David B.; Slawin, Alexandra M. Z.; O'Hagan, David","Fluorine in fragrances: exploring the difluoromethylene (CF2) group as a conformational constraint in macrocyclic musk lactones.","Organic & biomolecular chemistry","2016","14","1","211","219","10.1039/c5ob02023a","","","0.71075","MoKα","","","0.0351","","","","0.0843","","","","","","1.026","","","","has coordinates","176193","2020-10-21","18:00:00",""
"7154790","7.7556","0.0012","10.679","0.0015","9.8996","0.0016","90","","107.033","0.004","90","","783.9","0.2","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C15 H25 N O3 -","- C15 H25 N O3 -","- C30 H50 N2 O6 -","2","1","","Corr, Michael J.; Cormanich, Rodrigo A.; von Hahmann, Cortney N.; Bühl, Michael; Cordes, David B.; Slawin, Alexandra M. Z.; O'Hagan, David","Fluorine in fragrances: exploring the difluoromethylene (CF2) group as a conformational constraint in macrocyclic musk lactones.","Organic & biomolecular chemistry","2016","14","1","211","219","10.1039/c5ob02023a","","","1.54187","CuKα","","0.0485","0.0478","","","0.1168","0.1176","","","","","","0.891","","","","has coordinates","176193","2020-10-21","18:00:00",""
"7154794","3.9823","0.0006","11.7455","0.0017","16.58","0.002","86.931","0.003","84.919","0.003","89.788","0.003","771.36","0.19","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","3a","","- C18 H13 Cl N2 O -","- C18 H13 Cl N2 O -","- C36 H26 Cl2 N4 O2 -","2","1","","Li, Lei; Wang, Qian; Liu, Pei; Meng, Hua; Kan, Xing-Lan; Liu, Qun; Zhao, Yu-Long","DBU-mediated metal-free oxidative cyanation of α-amino carbonyl compounds: using molecular oxygen as the oxidant.","Organic & biomolecular chemistry","2016","14","1","165","171","10.1039/c5ob01690h","","","0.71073","MoKα","","0.0814","0.0509","","","0.1354","0.1617","","","","","","1.019","","","","has coordinates","176201","2020-10-21","18:00:00",""
"7154798","13.6571","0.0012","7.7611","0.0007","14.968","0.0014","90","","91.63","0.002","90","","1585.9","0.2","294","2","294","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C17 H19 N O5 -","- C17 H19 N O5 -","- C68 H76 N4 O20 -","4","1","","V, Vijay; Karkhelikar, Manjusha V.; Sridhar, B.; Mirzadeh, Nedaossadat; Bhargava, Suresh; Likhar, Pravin R.","Electronically modified amine substituted alkynols for regio-selective synthesis of dihydrofuran derivatives.","Organic & biomolecular chemistry","2016","14","1","288","295","10.1039/c5ob02033f","","","0.71073","MoKα","","0.132","0.0975","","","0.1684","0.1823","","","","","","1.242","","","","has coordinates","176189","2020-10-21","18:00:00",""
"7154799","13.7811","0.0012","13.3475","0.0011","16.9711","0.0015","90","","90","","90","","3121.7","0.5","294","2","294","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C17 H14 I N O2 -","- C17 H14 I N O2 -","- C136 H112 I8 N8 O16 -","8","1","","V, Vijay; Karkhelikar, Manjusha V.; Sridhar, B.; Mirzadeh, Nedaossadat; Bhargava, Suresh; Likhar, Pravin R.","Electronically modified amine substituted alkynols for regio-selective synthesis of dihydrofuran derivatives.","Organic & biomolecular chemistry","2016","14","1","288","295","10.1039/c5ob02033f","","","0.71073","MoKα","","0.0633","0.0462","","","0.1092","0.1189","","","","","","1.054","","","","has coordinates","176189","2020-10-21","18:00:00",""
"7154803","7.824","0.0005","13.359","0.0005","20.5454","0.0009","90","","90","","90","","2147.42","0.18","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C19 H24 N2 O8 -","- C19 H24 N2 O8 -","- C76 H96 N8 O32 -","4","1","","Suresh Kumar, A.; Prabhakar Reddy, T.; Madhavachary, R.; Ramachary, Dhevalapally B.","Rawal's catalyst as an effective stimulant for the highly asymmetric Michael addition of β-keto esters to functionally rich nitro-olefins.","Organic & biomolecular chemistry","2016","14","24","5494","5499","10.1039/c5ob02178b","","x-ray","1.54184","CuKα","","0.0967","0.0562","","","0.1147","0.1372","","","","","","0.996","","","","has coordinates","183763","2020-10-21","18:00:00",""
"7154806","12.9877","0.0003","7.4549","0.0002","31.4842","0.0009","90","","90","","90","","3048.36","0.14","298","2","298","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C17 H14 N2 O4 -","- C17 H14 N2 O4 -","- C136 H112 N16 O32 -","8","1","","Wang, Bin; Chen, Ying; Zhou, Ling; Wang, Jianwu; Xu, Zhenghu","Zn/Sc bimetallic relay catalysis: one pot cycloisomerization/carbonyl-ene reaction toward oxazole derivatives.","Organic & biomolecular chemistry","2016","14","3","826","829","10.1039/c5ob02158h","","","0.71073","MoKα","","0.1119","0.0892","","","0.2516","0.2703","","","","","","1.054","","","","has coordinates","176161","2020-10-21","18:00:00",""
"7154807","24.317","0.0011","13.776","0.0006","67.036","0.003","90","","91.6033","0.0013","90","","22447.7","1.7","100","2","100","2","","","","","","","soft coral","3","C 1 2 1","C 2y","5","","Isodecaryiol","","- C20 H34 O2 -","- C20 H34 O2 -","- C960 H1632 O96 -","48","12","","Rahelivao, Marie Pascaline; Gruner, Margit; Lübken, Tilo; Islamov, Daut; Kataeva, Olga; Andriamanantoanina, Hanta; Bauer, Ingmar; Knölker, Hans-Joachim","Chemical constituents of the soft corals Sinularia vanderlandi and Sinularia gravis from the coast of Madagascar.","Organic & biomolecular chemistry","2016","14","3","989","1001","10.1039/c5ob02280k","","x-ray","1.54178","CuKα","","0.0354","0.0347","","","0.1178","0.1187","","","","","","1.098","","","","has coordinates","176160","2020-10-21","18:00:00",""
"7154808","7.6694","0.0008","8.4024","0.0008","15.7611","0.0016","89.92","0.0019","88.182","0.002","88.417","0.0019","1014.77","0.18","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","(Z)-3-(cyclopropylmethylene)-2-methylisoindolin-1-one","","- C13 H13 N O -","- C13 H13 N O -","- C52 H52 N4 O4 -","4","2","","Munoz, Socrates B.; Aloia, Alexandra N.; Moore, Alexander K.; Papp, Attila; Mathew, Thomas; Fustero, Santos; Olah, George A.; Surya Prakash, G. K.","Synthesis of 3-substituted isoindolin-1-ones via a tandem desilylation, cross-coupling, hydroamidation sequence under aqueous phase-transfer conditions.","Organic & biomolecular chemistry","2016","14","1","85","92","10.1039/c5ob02187a","","","0.71073","MoKα","","0.0565","0.0428","","","0.1032","0.1121","","","","","","1.019","","","","has coordinates","176192","2020-10-21","18:00:00",""
"7154809","11.9196","0.0005","14.6868","0.0007","6.4","0.0003","90","","96.769","0.001","90","","1112.58","0.09","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(Z)-3-Benzylideneisoindolin-1-one","","- C15 H11 N O -","- C15 H11 N O -","- C60 H44 N4 O4 -","4","1","","Munoz, Socrates B.; Aloia, Alexandra N.; Moore, Alexander K.; Papp, Attila; Mathew, Thomas; Fustero, Santos; Olah, George A.; Surya Prakash, G. K.","Synthesis of 3-substituted isoindolin-1-ones via a tandem desilylation, cross-coupling, hydroamidation sequence under aqueous phase-transfer conditions.","Organic & biomolecular chemistry","2016","14","1","85","92","10.1039/c5ob02187a","","","0.71073","MoKα","","0.0513","0.0424","","","0.1159","0.1216","","","","","","1.064","","","","has coordinates","176192","2020-10-21","18:00:00",""
"7154810","21.688","0.006","17.152","0.004","22.729","0.005","90","","115.043","0.003","90","","7660","3","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C65 H77 Br2 Cl3 N14 O24 -","- C65 H77 Br2 Cl3 N14 O24 -","- C260 H308 Br8 Cl12 N56 O96 -","4","1","","Wang, Xu-Dong; Li, Sen; Ao, Yu-Fei; Wang, Qi-Qiang; Huang, Zhi-Tang; Wang, De-Xian","Oxacalix[2]arene[2]triazine based ion-pair transporters.","Organic & biomolecular chemistry","2016","14","1","330","334","10.1039/c5ob02291f","","","0.71073","MoKα","","0.1745","0.1495","","","0.3675","0.3798","","","","","","1.882","","","","has coordinates,has disorder","176200","2020-10-21","18:00:00",""
"7154811","9.547","0.003","7.151","0.0019","12.171","0.003","90","","111.479","0.003","90","","773.2","0.4","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C17 H20 Cl N -","- C17 H20 Cl N -","- C34 H40 Cl2 N2 -","2","1","","Chen, Yunwei; Sun, Xiang; Wu, Ningjie; Li, Jingbai; Jin, Shengnan; Zhong, Yongliang; Liu, Zirui; Rogachev, Andrey; Chong, Hyun-Soon","Synthetic and theoretical investigation on the one-pot halogenation of β-amino alcohols and nucleophilic ring opening of aziridinium ions.","Organic & biomolecular chemistry","2016","14","3","920","939","10.1039/c5ob01692d","","","0.71073","MoKα","","0.0322","0.0293","","","0.0702","0.0722","","","","","","1.03","","","","has coordinates","176165","2020-10-21","18:00:00",""
"7154812","16.2077","0.0003","8.43855","0.00016","12.5611","0.0003","90","","90","","90","","1717.98","0.06","100.01","0.1","100.01","0.1","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C20 H23 O P -","- C20 H23 O P -","- C80 H92 O4 P4 -","4","1","","Bogachenkov, Alexander S.; Dogadina, Albina V.; Boyarskaya, Irina A.; Boyarskiy, Vadim P.; Vasilyev, Aleksander V.","Synthesis of 1,4-dihydrophosphinoline 1-oxides by acid-promoted cyclization of 1-(diphenylphosphoryl)allenes.","Organic & biomolecular chemistry","2016","14","4","1370","1381","10.1039/c5ob02143j","","","1.54184","CuKα","","0.0538","0.0535","","","0.1355","0.136","","","","","","1.091","","","","has coordinates","176151","2020-10-21","18:00:00",""
"7154813","11.5236","0.0015","7.0451","0.0009","19.746","0.003","90","","104.565","0.001","90","","1551.6","0.4","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","5,8-Dimethoxy-1,6b-dimethyl-1a,6b-dihydro-1H- benzofuro[2,3-b]indole","","- C18 H19 N O3 -","- C18 H19 N O3 -","- C72 H76 N4 O12 -","4","1","","Chai, Zhuo; Chen, Jia-Nan; Liu, Zhen; Li, Xue-Fei; Yang, Pei-Jun; Hu, Ji-Ping; Yang, Gaosheng","[3 + 2]-Annulations of N-alkyl-3-substituted indoles with quinone monoketals catalysed by Brønsted acids.","Organic & biomolecular chemistry","2016","14","3","1024","1030","10.1039/c5ob01876e","","","0.71073","MoKα","","0.0552","0.0432","","","0.1132","0.1222","","","","","","1.038","","","","has coordinates","176163","2020-10-21","18:00:00",""
"7154814","8.241","0.003","9.598","0.004","25.276","0.01","90","","99.148","0.006","90","","1973.8","1.3","294","2","294","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H19 Br Cl O3 -","- C20 H19 Br Cl O3 -","- C80 H76 Br4 Cl4 O12 -","4","1","","Anugu, Raghunath Reddy; Mainkar, Prathama S.; Sridhar, Balasubramanian; Chandrasekhar, Srivari","The Ireland-Claisen rearrangement strategy towards the synthesis of the schizophrenia drug, (+)-asenapine.","Organic & biomolecular chemistry","2016","14","4","1332","1337","10.1039/c5ob02047f","","","0.71073","MoKα","","0.1841","0.1232","","","0.3237","0.3589","","","","","","1.169","","","","has coordinates","176158","2020-10-21","18:00:00",""
"7154815","5.8334","0.0005","10.9763","0.0009","24.922","0.002","90","","90","","90","","1595.7","0.2","100","","100","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","aks_i_282_01","","- C15 H16 N4 O4 S -","- C15 H16 N4 O4 S -","- C60 H64 N16 O16 S4 -","4","1","","Simlandy, Amit K.; Mukherjee, Santanu","Catalytic asymmetric formal γ-allylation of deconjugated butenolides.","Organic & biomolecular chemistry","2016","14","24","5659","5664","10.1039/c5ob02362a","","","0.71073","MoKα","","0.06","0.0448","","","0.0726","0.0754","","","","","","1.081","","","","has coordinates","183757","2020-10-21","18:00:00",""
"7154816","8.1772","0.0005","9.7706","0.0005","13.9947","0.0008","70.184","0.002","73.97","0.002","83.379","0.002","1010.72","0.1","100","","100","","","","","","","","","6","P -1","-P 1","2","","AKS_I_393_01","","- C20 H17 Br N4 O4 S -","- C20 H17 Br N4 O4 S -","- C40 H34 Br2 N8 O8 S2 -","2","1","","Simlandy, Amit K.; Mukherjee, Santanu","Catalytic asymmetric formal γ-allylation of deconjugated butenolides.","Organic & biomolecular chemistry","2016","14","24","5659","5664","10.1039/c5ob02362a","","x-ray","0.71073","MoKα","","0.0437","0.0303","","","0.0599","0.0628","","","","","","1.025","","","","has coordinates","183757","2020-10-21","18:00:00",""
"7154817","7.2632","0.0002","14.5322","0.0004","16.5698","0.0006","90","","91.431","0.001","90","","1748.4","0.09","293","2","293","2","","","","","","","synthesis as described","5","P 1 21/c 1","-P 2ybc","14","","(1E,4Z)-1-(9-ethyl-9H-carbazol-3-yl)-6,6,6-trifluoro-5-hydroxyhexa-1,4-dien-3-one","","- C20 H16 F3 N O2 -","- C20 H16 F3 N O2 -","- C80 H64 F12 N4 O8 -","4","1","","Kim, Eunsun; Felouat, Abdellah; Zaborova, Elena; Ribierre, Jean-Charles; Wu, Jeong Weon; Senatore, Sébastien; Matthews, Cédric; Lenne, Pierre-François; Baffert, Carole; Karapetyan, Artak; Giorgi, Michel; Jacquemin, Denis; Ponce-Vargas, Miguel; Guennic, Boris Le; Fages, Frédéric; D'Aléo, Anthony","Borondifluoride complexes of hemicurcuminoids as bio-inspired push-pull dyes for bioimaging.","Organic & biomolecular chemistry","2016","14","4","1311","1324","10.1039/c5ob02295a","","x-ray","0.71073","MoKα","","0.1311","0.0676","","","0.1843","0.2309","","","","","","1.103","","","","has coordinates","176149","2020-10-21","18:00:00",""
"7154818","22.4771","0.0008","12.8997","0.0008","15.6366","0.0008","90","","132.732","0.005","90","","3330.2","0.4","293","2","293","2","","","","","","","synthesis as described","5","C 1 2/c 1","-C 2yc","15","","(E)-2,2-difluoro-6-(2-(6-methoxynaphthalen-2-yl)vinyl)-4-(trifluoromethyl)-2H-1,3,2-dioxaborinin-1-ium-2-uide","","- C17 H12 B F5 O3 -","- C17 H12 B F5 O3 -","- C136 H96 B8 F40 O24 -","8","1","","Kim, Eunsun; Felouat, Abdellah; Zaborova, Elena; Ribierre, Jean-Charles; Wu, Jeong Weon; Senatore, Sébastien; Matthews, Cédric; Lenne, Pierre-François; Baffert, Carole; Karapetyan, Artak; Giorgi, Michel; Jacquemin, Denis; Ponce-Vargas, Miguel; Guennic, Boris Le; Fages, Frédéric; D'Aléo, Anthony","Borondifluoride complexes of hemicurcuminoids as bio-inspired push-pull dyes for bioimaging.","Organic & biomolecular chemistry","2016","14","4","1311","1324","10.1039/c5ob02295a","","x-ray","0.71073","MoKα","","0.1608","0.0612","","","0.1417","0.1897","","","","","","1.03","","","","has coordinates","176149","2020-10-21","18:00:00",""
"7154819","11.5387","0.0004","9.8453","0.0004","19.8519","0.0009","90","","117.76","0.001","90","","1995.65","0.14","293","2","293","2","","","","","","","synthesis as described","5","P 1 21/c 1","-P 2ybc","14","","(E)-2,2-difluoro-4-isobutyl-6-(2-(pyren-1-yl)vinyl)-2H-1,3,2-dioxaborinin-1-ium-2-uide","","- C25 H21 B F2 O2 -","- C25 H21 B F2 O2 -","- C100 H84 B4 F8 O8 -","4","1","","Kim, Eunsun; Felouat, Abdellah; Zaborova, Elena; Ribierre, Jean-Charles; Wu, Jeong Weon; Senatore, Sébastien; Matthews, Cédric; Lenne, Pierre-François; Baffert, Carole; Karapetyan, Artak; Giorgi, Michel; Jacquemin, Denis; Ponce-Vargas, Miguel; Guennic, Boris Le; Fages, Frédéric; D'Aléo, Anthony","Borondifluoride complexes of hemicurcuminoids as bio-inspired push-pull dyes for bioimaging.","Organic & biomolecular chemistry","2016","14","4","1311","1324","10.1039/c5ob02295a","","x-ray","0.71073","MoKα","","0.2017","0.0796","","","0.2015","0.2477","","","","","","0.976","","","","has coordinates","176149","2020-10-21","18:00:00",""
"7154820","21.523","0.001","13.3264","0.0009","14.604","0.001","90","","95.233","0.007","90","","4171.3","0.4","293","2","293","2","","","","","","","synthesis as described","6","C 1 2/c 1","-C 2yc","15","","(E)-2,2-difluoro-6-(2-(pyren-1-yl)vinyl)-4-(trifluoromethyl)-2H-1,3,2-dioxaborinin-1-ium-2-uide","","- C22.12 H12 B Cl0.38 F5 O2 -","- C22.175 H12 B Cl0.35 F5 O2 -","- C177.4 H96 B8 Cl2.8 F40 O16 -","8","1","","Kim, Eunsun; Felouat, Abdellah; Zaborova, Elena; Ribierre, Jean-Charles; Wu, Jeong Weon; Senatore, Sébastien; Matthews, Cédric; Lenne, Pierre-François; Baffert, Carole; Karapetyan, Artak; Giorgi, Michel; Jacquemin, Denis; Ponce-Vargas, Miguel; Guennic, Boris Le; Fages, Frédéric; D'Aléo, Anthony","Borondifluoride complexes of hemicurcuminoids as bio-inspired push-pull dyes for bioimaging.","Organic & biomolecular chemistry","2016","14","4","1311","1324","10.1039/c5ob02295a","","x-ray","0.71073","MoKα","","0.2664","0.111","","","0.2749","0.3379","","","","","","0.922","","","","has coordinates","176149","2020-10-21","18:00:00",""
"7154821","8.058","0.0002","11.8497","0.0003","17.433","0.0005","90","","104.565","0.001","90","","1611.09","0.07","293","2","293","2","","","","","","","synthesis as described","6","P 1 21/c 1","-P 2ybc","14","","(E)-2,2-difluoro-6-(4-(methylthio)styryl)-4-phenyl-2H-1,3,2-dioxaborinin-1-ium-2-uide","","- C18 H15 B F2 O2 S -","- C18 H15 B F2 O2 S -","- C72 H60 B4 F8 O8 S4 -","4","1","","Kim, Eunsun; Felouat, Abdellah; Zaborova, Elena; Ribierre, Jean-Charles; Wu, Jeong Weon; Senatore, Sébastien; Matthews, Cédric; Lenne, Pierre-François; Baffert, Carole; Karapetyan, Artak; Giorgi, Michel; Jacquemin, Denis; Ponce-Vargas, Miguel; Guennic, Boris Le; Fages, Frédéric; D'Aléo, Anthony","Borondifluoride complexes of hemicurcuminoids as bio-inspired push-pull dyes for bioimaging.","Organic & biomolecular chemistry","2016","14","4","1311","1324","10.1039/c5ob02295a","","x-ray","0.71073","MoKα","","0.0964","0.0501","","","0.1161","0.1385","","","","","","1.04","","","","has coordinates","176149","2020-10-21","18:00:00",""
"7154822","8.3507","0.0013","8.6494","0.0014","9.0014","0.0015","79.307","0.003","84.564","0.003","79.146","0.003","626.23","0.18","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C12 H14 N2 O3 S -","- C12 H14 N2 O3 S -","- C24 H28 N4 O6 S2 -","2","1","","Shen, Mei-Hua; Xu, Ke; Sun, Chu-Han; Xu, Hua-Dong","Facile synthesis of aza-spirocyclopropanyl oxindoles by the reaction of 3-(2-bromoethyl)-indole with 2,3-dimethylimidazole-1-sulfonyl azide triflate.","Organic & biomolecular chemistry","2016","14","4","1272","1276","10.1039/c5ob02192h","","","0.71073","MoKα","","0.0457","0.0422","","","0.1353","0.1468","","","","","","1.113","","","","has coordinates","176150","2020-10-21","18:00:00",""
"7154823","11.562","0.006","6.267","0.002","19.695","0.01","90","","95.75","0.03","90","","1419.9","1.1","173","","173","","","","","","","","","4","I 1 a 1","I -2ya","9","","","","- C15 H18 F4 O -","- C15 H18 F4 O -","- C60 H72 F16 O4 -","4","1","","Bykova, Tetiana; Al-Maharik, Nawaf; Slawin, Alexandra M. Z.; O'Hagan, David","Multicomponent reactions of methyl substituted all-cis tetrafluorocyclohexane aldehydes.","Organic & biomolecular chemistry","2016","14","3","1117","1123","10.1039/c5ob02334c","","","0.71075","MoKα","","0.0274","0.0264","","","0.0688","0.0694","","","","","","0.982","","","","has coordinates","176162","2020-10-21","18:00:00",""
"7154824","22.574","0.002","6.3537","0.0008","19.1603","0.0019","90","","90","","90","","2748.1","0.5","125","","125","","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C15 H18 F4 O -","- C15 H18 F4 O -","- C120 H144 F32 O8 -","8","2","","Bykova, Tetiana; Al-Maharik, Nawaf; Slawin, Alexandra M. Z.; O'Hagan, David","Multicomponent reactions of methyl substituted all-cis tetrafluorocyclohexane aldehydes.","Organic & biomolecular chemistry","2016","14","3","1117","1123","10.1039/c5ob02334c","","","1.54187","CuKα","","0.1709","0.1577","","","0.3205","0.3507","","","","","","1.547","","","","has coordinates","176162","2020-10-21","18:00:00",""
"7154825","6.192","0.005","13.935","0.009","10.252","0.008","90","","106.98","0.02","90","","846","1.1","125","","125","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C8 H12 F4 O -","- C8 H12 F4 O -","- C32 H48 F16 O4 -","4","1","","Bykova, Tetiana; Al-Maharik, Nawaf; Slawin, Alexandra M. Z.; O'Hagan, David","Multicomponent reactions of methyl substituted all-cis tetrafluorocyclohexane aldehydes.","Organic & biomolecular chemistry","2016","14","3","1117","1123","10.1039/c5ob02334c","","","1.54187","CuKα","","0.0672","0.0595","","","0.1484","0.1562","","","","","","0.969","","","","has coordinates","176162","2020-10-21","18:00:00",""
"7154826","18.859","0.013","10.647","0.007","8.927","0.006","90","","90","","90","","1792","2","125","","125","","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C8 H12 F4 O -","- C8 H12 F4 O -","- C64 H96 F32 O8 -","8","1","","Bykova, Tetiana; Al-Maharik, Nawaf; Slawin, Alexandra M. Z.; O'Hagan, David","Multicomponent reactions of methyl substituted all-cis tetrafluorocyclohexane aldehydes.","Organic & biomolecular chemistry","2016","14","3","1117","1123","10.1039/c5ob02334c","","","1.54187","CuKα","","0.1454","0.1118","","","0.3106","0.3346","","","","","","1.108","","","","has coordinates","176162","2020-10-21","18:00:00",""
"7154827","10.4475","0.0014","11.766","0.002","16.901","0.002","90","","100.766","0.003","90","","2041","0.5","125","","125","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C21 H26 F4 N2 O2 -","- C21 H26 F4 N2 O2 -","- C84 H104 F16 N8 O8 -","4","1","","Bykova, Tetiana; Al-Maharik, Nawaf; Slawin, Alexandra M. Z.; O'Hagan, David","Multicomponent reactions of methyl substituted all-cis tetrafluorocyclohexane aldehydes.","Organic & biomolecular chemistry","2016","14","3","1117","1123","10.1039/c5ob02334c","","","1.54187","CuKα","","0.047","0.0466","","","0.1067","0.1077","","","","","","1.002","","","","has coordinates","176162","2020-10-21","18:00:00",""
"7154828","12.108","0.003","13.669","0.004","16.043","0.004","102.251","0.003","91.947","0.005","114.376","0.005","2341.3","1.1","93","","93","","","","","","","","","5","P -1","-P 1","2","","","","- C26 H28 F4 N2 O2 -","- C26 H28 F4 N2 O2 -","- C104 H112 F16 N8 O8 -","4","2","","Bykova, Tetiana; Al-Maharik, Nawaf; Slawin, Alexandra M. Z.; O'Hagan, David","Multicomponent reactions of methyl substituted all-cis tetrafluorocyclohexane aldehydes.","Organic & biomolecular chemistry","2016","14","3","1117","1123","10.1039/c5ob02334c","","","0.71075","MoKα","","0.0775","0.0584","","","0.1483","0.1555","","","","","","0.94","","","","has coordinates","176162","2020-10-21","18:00:00",""
"7154829","10.0424","0.0016","10.27","0.002","10.882","0.002","83.19","0.03","64.29","0.02","74.1","0.02","972.5","0.4","93","","93","","","","","","","","","5","P -1","-P 1","2","","","","- C20 H25 F4 N O3 -","- C20 H25 F4 N O3 -","- C40 H50 F8 N2 O6 -","2","1","","Bykova, Tetiana; Al-Maharik, Nawaf; Slawin, Alexandra M. Z.; O'Hagan, David","Multicomponent reactions of methyl substituted all-cis tetrafluorocyclohexane aldehydes.","Organic & biomolecular chemistry","2016","14","3","1117","1123","10.1039/c5ob02334c","","","0.71075","MoKα","","0.0507","0.0422","","","0.1081","0.1116","","","","","","0.87","","","","has coordinates","176162","2020-10-21","18:00:00",""
"7154830","8.5702","0.0017","21.691","0.004","11.256","0.002","90","","90.986","0.004","90","","2092.1","0.7","93","","93","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C21 H23 F4 N2 O2 -","- C21 H23 F4 N2 O2 -","- C84 H92 F16 N8 O8 -","4","1","","Bykova, Tetiana; Al-Maharik, Nawaf; Slawin, Alexandra M. Z.; O'Hagan, David","Multicomponent reactions of methyl substituted all-cis tetrafluorocyclohexane aldehydes.","Organic & biomolecular chemistry","2016","14","3","1117","1123","10.1039/c5ob02334c","","","0.71075","MoKα","","0.0902","0.0722","","","0.1929","0.2041","","","","","","1.022","","","","has coordinates","176162","2020-10-21","18:00:00",""
"7154831","11.187","0.006","11.294","0.005","12.18","0.006","92.707","0.004","116.606","0.005","116.789","0.005","1166.9","1","93","","93","","","","","","","","","5","P -1","-P 1","2","","","","- C26 H28 F4 N2 O2 -","- C26 H28 F4 N2 O2 -","- C52 H56 F8 N4 O4 -","2","1","","Bykova, Tetiana; Al-Maharik, Nawaf; Slawin, Alexandra M. Z.; O'Hagan, David","Multicomponent reactions of methyl substituted all-cis tetrafluorocyclohexane aldehydes.","Organic & biomolecular chemistry","2016","14","3","1117","1123","10.1039/c5ob02334c","","","0.71075","MoKα","","0.1158","0.0563","","","0.1364","0.1701","","","","","","0.906","","","","has coordinates","176162","2020-10-21","18:00:00",""
"7154832","9.768","0.003","10.296","0.003","22.978","0.006","90","","90","","90","","2310.9","1.1","125","","125","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C25 H28 F4 N2 O3 -","- C25 H28 F4 N2 O3 -","- C100 H112 F16 N8 O12 -","4","1","","Bykova, Tetiana; Al-Maharik, Nawaf; Slawin, Alexandra M. Z.; O'Hagan, David","Multicomponent reactions of methyl substituted all-cis tetrafluorocyclohexane aldehydes.","Organic & biomolecular chemistry","2016","14","3","1117","1123","10.1039/c5ob02334c","","","1.54187","CuKα","","0.079","0.0684","","","0.1943","0.2044","","","","","","0.831","","","","has coordinates","176162","2020-10-21","18:00:00",""
"7154833","12.2153","0.0002","13.5599","0.0002","18.6521","0.0003","95.666","0.001","104.369","0.001","107.679","0.001","2800.32","0.08","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","3-methoxypyrido[2',3':4,5]pyrrolo[1,2-<i>f</i>]phenanthridine","","- C20 H14 N2 O -","- C20 H14 N2 O -","- C160 H112 N16 O8 -","8","4","","Ngo, Thang Ngoc; Janert, Frank; Ehlers, Peter; Hoang, Do Huy; Dang, Tuan Thanh; Villinger, Alexander; Lochbrunner, Stefan; Langer, Peter","Pd(0)-catalyzed domino C-N coupling/hydroamination/C-H arylation reactions: efficient synthesis and photophysical properties of azaindolo[1,2-f]phenanthridines.","Organic & biomolecular chemistry","2016","14","4","1293","1301","10.1039/c5ob02274f","","","0.71073","MoKα","","0.0795","0.0501","","","0.1251","0.1469","","","","","","1.009","","","","has coordinates","176156","2020-10-21","18:00:00",""
"7154834","36.552","0.003","21.7842","0.0015","28.274","0.002","90","","109.553","0.001","90","","21215","3","150","2","150","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","CB SG-2-161B","","- C75 H132 Cl N20 Na4 O48 S5 -","- C75 H90 N20 O27.96 S5 -","- C600 H720 N160 O223.68 S40 -","8","1","","Ganapati, Shweta; Zavalij, Peter Y.; Eikermann, Matthias; Isaacs, Lyle","In Vitro selectivity of an acyclic cucurbit[n]uril molecular container towards neuromuscular blocking agents relative to commonly used drugs.","Organic & biomolecular chemistry","2016","14","4","1277","1287","10.1039/c5ob02356d","","","0.71073","MoKα","","0.1118","0.0817","","","0.1773","0.1949","","","","","","1.055","","","","has coordinates,has disorder","176147","2020-10-21","18:00:00",""
"7154835","13.4868","0.0014","15.2064","0.0016","17.7733","0.0019","90","","107.75","0.002","90","","3471.5","0.6","294","2","294","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C35 H25 Cl F6 N2 O2 Pt S2 -","- C35 H25 Cl F6 N2 O2 Pt S2 -","- C140 H100 Cl4 F24 N8 O8 Pt4 S8 -","4","1","","Kamal, Ahmed; Ashraf, Md; Basha, Shaik Thokhir; Ali Hussaini, S. M.; Singh, Shamshair; Vishnuvardhan, M. V. P. S.; Kiran, Boppana; Sridhar, Balasubramanian","Design, synthesis and antiproliferative activity of the new conjugates of E7010 and resveratrol as tubulin polymerization inhibitors.","Organic & biomolecular chemistry","2016","14","4","1382","1394","10.1039/c5ob02022k","","","0.71073","MoKα","","0.0338","0.0293","","","0.0735","0.0774","","","","","","1.018","","","","has coordinates","176154","2020-10-21","18:00:00",""
"7154836","12.0003","0.0005","5.4759","0.0002","17.9308","0.0008","90","","92.31","0.002","90","","1177.32","0.08","150","","150","","","","","","","","syn","5","P 1 21/n 1","-P 2yn","14","","","","- C16 H12 F N O -","- C16 H12 F N O -","- C64 H48 F4 N4 O4 -","4","1","","Pilgrim, Ben S.; Gatland, Alice E.; Esteves, Carlos H. A.; McTernan, Charlie T.; Jones, Geraint R.; Tatton, Matthew R.; Procopiou, Panayiotis A.; Donohoe, Timothy J.","Palladium-catalyzed enolate arylation as a key C-C bond-forming reaction for the synthesis of isoquinolines.","Organic & biomolecular chemistry","2016","14","3","1065","1090","10.1039/c5ob02320c","","","0.71073","MoKα","","0.0756","0.0492","","0.1498","0.1253","0.1498","","","","","","1.0312","","","","has coordinates","176164","2020-10-21","18:00:00",""
"7154837","6.5458","0.0001","8.4459","0.0002","13.2079","0.0003","90","","99.9683","0.0009","90","","719.18","0.03","150","","150","","","","","","","","syn","3","P 1 21 1","P 2yb","4","","","","- C19 H21 N -","- C19 H21 N -","- C38 H42 N2 -","2","1","","Pilgrim, Ben S.; Gatland, Alice E.; Esteves, Carlos H. A.; McTernan, Charlie T.; Jones, Geraint R.; Tatton, Matthew R.; Procopiou, Panayiotis A.; Donohoe, Timothy J.","Palladium-catalyzed enolate arylation as a key C-C bond-forming reaction for the synthesis of isoquinolines.","Organic & biomolecular chemistry","2016","14","3","1065","1090","10.1039/c5ob02320c","","","0.71073","MoKα","","0.0335","0.0314","","0.0803","0.077","0.0803","","","","","","0.9287","","","","has coordinates","176164","2020-10-21","18:00:00",""
"7154838","9.4554","0.0001","10.6808","0.0002","12.7524","0.0002","90","","92.8615","0.0007","90","","1286.27","0.03","150","","150","","","","","","","","syn","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H15 N O -","- C17 H15 N O -","- C68 H60 N4 O4 -","4","1","","Pilgrim, Ben S.; Gatland, Alice E.; Esteves, Carlos H. A.; McTernan, Charlie T.; Jones, Geraint R.; Tatton, Matthew R.; Procopiou, Panayiotis A.; Donohoe, Timothy J.","Palladium-catalyzed enolate arylation as a key C-C bond-forming reaction for the synthesis of isoquinolines.","Organic & biomolecular chemistry","2016","14","3","1065","1090","10.1039/c5ob02320c","","","0.71073","MoKα","","0.0496","0.04","","0.1138","0.0982","0.0937","","","","","","0.8803","","","","has coordinates","176164","2020-10-21","18:00:00",""
"7154839","6.019","0.0001","8.0659","0.0002","23.9029","0.0005","90","","91.3683","0.0011","90","","1160.12","0.04","150","","150","","","","","","","","Syn","4","P 1 21/n 1","-P 2yn","14","","","","- C16 H13 N O -","- C16 H13 N O -","- C64 H52 N4 O4 -","4","1","","Pilgrim, Ben S.; Gatland, Alice E.; Esteves, Carlos H. A.; McTernan, Charlie T.; Jones, Geraint R.; Tatton, Matthew R.; Procopiou, Panayiotis A.; Donohoe, Timothy J.","Palladium-catalyzed enolate arylation as a key C-C bond-forming reaction for the synthesis of isoquinolines.","Organic & biomolecular chemistry","2016","14","3","1065","1090","10.1039/c5ob02320c","","","0.71073","MoKα","","0.0608","0.0452","","0.116","0.1052","0.116","","","","","","0.9517","","","","has coordinates","176164","2020-10-21","18:00:00",""
"7154840","8.8066","0.0001","13.3703","0.0002","12.5739","0.0002","90","","105.106","0.0005","90","","1429.38","0.04","150","","150","","","","","","","","syn","4","P 1 21/a 1","-P 2yab","14","","","","- C18 H14 Br N -","- C18 H14 Br N -","- C72 H56 Br4 N4 -","4","1","","Pilgrim, Ben S.; Gatland, Alice E.; Esteves, Carlos H. A.; McTernan, Charlie T.; Jones, Geraint R.; Tatton, Matthew R.; Procopiou, Panayiotis A.; Donohoe, Timothy J.","Palladium-catalyzed enolate arylation as a key C-C bond-forming reaction for the synthesis of isoquinolines.","Organic & biomolecular chemistry","2016","14","3","1065","1090","10.1039/c5ob02320c","","","0.71073","MoKα","","0.0371","0.0326","","0.0772","0.073","0.0772","","","","","","0.8809","","","","has coordinates","176164","2020-10-21","18:00:00",""
"7154843","11.71049","0.00013","11.80555","0.00011","52.7036","0.0005","90","","90","","90","","7286.21","0.13","180","2","180","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","5e","","","- C20 H25 N O2 -","- C20 H25 N O2 -","- C320 H400 N16 O32 -","16","4","","Wu, Shaotong; Yin, Qianqian; Zhao, Liang; Fan, Ningning; Tang, Xiaowan; Zhao, Jianxiong; Sheng, Tao; Guo, Ying; Tian, Chao; Zhang, Zhili; Xu, Weisi; Liu, Zhenming; Jiang, Shibo; Ma, Liying; Liu, Junyi; Wang, Xiaowei","A stereo configuration-activity study of 3-iodo-4-(2-methylcyclohexyloxy)-6-phenethylpyridin-2(2H)-ones as potency inhibitors of HIV-1 variants.","Organic & biomolecular chemistry","2016","14","4","1413","1420","10.1039/c5ob02154e","","","1.54184","CuKα","","0.0451","0.0433","","","0.1111","0.1131","","","","","","1.044","","","","has coordinates","193656","2020-10-21","18:00:00",""
"7154844","11.1239","0.0003","8.9956","0.0002","15.6586","0.0004","90","","105.218","0.002","90","","1511.95","0.07","289","2","289","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H15 N O4 -","- C18 H15 N O4 -","- C72 H60 N4 O16 -","4","1","","Bai, Mei; You, Yong; Chen, Yong-Zheng; Xiang, Guang-Yan; Xu, Xiao-Ying; Zhang, Xiao-Mei; Yuan, Wei-Cheng","An unprecedented protocol for the synthesis of 3-hydroxy-3-phenacyloxindole derivatives with indolin-2-ones and α-substituted ketones.","Organic & biomolecular chemistry","2016","14","4","1395","1401","10.1039/c5ob02391b","","","1.54184","CuKα","","0.045","0.0422","","","0.1106","0.1128","","","","","","1.065","","","","has coordinates","176152","2020-10-21","18:00:00",""
"7154845","5.8682","0.0004","15.5218","0.0014","14.1795","0.0013","90","","92.445","0.001","90","","1290.36","0.19","298","2","298","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C31 H37 O2 P S -","- C31 H37 O2 P S -","- C62 H74 O4 P2 S2 -","2","1","","Yao, Lan; Liu, Li-Juan; Xu, Zhong-Yuan; Nie, Shao-Zhen; Xiao, Xiao-Qing; Zhao, Chang-Qiu","Variable mechanism of nucleophilic substitution of P-stereogenic phosphoryl chloride with alkynyl metallic reagents.","Organic & biomolecular chemistry","2016","14","5","1702","1706","10.1039/c5ob01871d","","","0.71073","MoKα","","0.2086","0.1142","","","0.2511","0.3049","","","","","","0.919","","","","has coordinates","176178","2020-10-21","18:00:00",""
"7154846","11.6441","0.0004","19.004","0.0011","15.7545","0.0008","90","","104.803","0.003","90","","3370.5","0.3","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C36 H39 Cl N4 O5 -","- C36 H39 Cl N4 O5 -","- C144 H156 Cl4 N16 O20 -","4","1","","Temprano, Álvaro G; Monleón, Laura M; Rubio, Omayra H.; Rubio, Luis Simón; Pérez, Asunción B; Sanz, Francisca; Morán, Joaquín R","A highly selective receptor for zwitterionic proline.","Organic & biomolecular chemistry","2016","14","4","1325","1331","10.1039/c5ob02387d","","","1.54178","CuKα","","0.1818","0.1032","","","0.2658","0.3048","","","","","","1.104","","","","has coordinates","176159","2020-10-21","18:00:00",""
"7154847","8.4156","0.0005","11.6638","0.0008","14.9936","0.0008","87.286","0.005","83.22","0.004","82.716","0.005","1448.87","0.15","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C32 H33 Cl N4 O4 -","- C32 H33 Cl N4 O4 -","- C64 H66 Cl2 N8 O8 -","2","1","","Temprano, Álvaro G; Monleón, Laura M; Rubio, Omayra H.; Rubio, Luis Simón; Pérez, Asunción B; Sanz, Francisca; Morán, Joaquín R","A highly selective receptor for zwitterionic proline.","Organic & biomolecular chemistry","2016","14","4","1325","1331","10.1039/c5ob02387d","","","1.54178","CuKα","","0.2429","0.1298","","","0.3206","0.4035","","","","","","2.257","","","","has coordinates","176159","2020-10-21","18:00:00",""
"7154848","10.0374","0.0001","12.6398","0.0001","21.0812","0.0002","90","","90","","90","","2674.59","0.04","290","2","290","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","LM-56","compound 1","","- C28 H38 O11 -","- C28 H38 O11 -","- C112 H152 O44 -","4","1","","An, Fa-Liang; Luo, Jun; Wang, Xiao-Bing; Yang, Ming-Hua; Kong, Ling-Yi","Trichiconlides A and B: two novel limonoids from the fruits of Trichilia connaroides.","Organic & biomolecular chemistry","2016","14","4","1231","1235","10.1039/c5ob02300a","","","1.54184","CuKα","","0.0395","0.0393","","","0.111","0.1114","","","","","","1.078","","","","has coordinates,has disorder","176157","2020-10-21","18:00:00",""
"7154849","8.1681","0.0014","11.8","0.002","12.478","0.002","114.931","0.003","91.661","0.003","99.121","0.003","1070.6","0.3","296","2","296.15","","","","","","","","","6","P -1","-P 1","2","","","","- C19 H22 F3 N O6 S -","- C19 H22 F3 N O6 S -","- C38 H44 F6 N2 O12 S2 -","2","1","","Liu, Yufen; Du, Yanlong; Yu, Aimin; Mu, Haifeng; Meng, Xiangtai","DABCO-catalyzed unusual [4 + 2] cycloaddition reaction: non-substituted allenoate acts as a four-carbon synthon and facile synthesis of spirooxindoles.","Organic & biomolecular chemistry","2016","14","4","1226","1230","10.1039/c5ob02383a","","","0.71073","MoKα","","0.1053","0.0605","","","0.1631","0.1914","","","","","","1.044","","","","has coordinates","176153","2020-10-21","18:00:00",""
"7154850","17.0861","0.0005","17.2584","0.0007","17.3652","0.0007","66.864","0.004","87.873","0.003","66.771","0.003","4284.8","0.3","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H24 Br N O6 -","- C22 H24 Br N O6 -","- C176 H192 Br8 N8 O48 -","8","4","","Liu, Yufen; Du, Yanlong; Yu, Aimin; Mu, Haifeng; Meng, Xiangtai","DABCO-catalyzed unusual [4 + 2] cycloaddition reaction: non-substituted allenoate acts as a four-carbon synthon and facile synthesis of spirooxindoles.","Organic & biomolecular chemistry","2016","14","4","1226","1230","10.1039/c5ob02383a","","","1.54184","CuKα","","0.0593","0.0495","","","0.125","0.1299","","","","","","0.959","","","","has coordinates,has disorder","176153","2020-10-21","18:00:00",""
"7154851","10.0957","0.0006","10.7765","0.0006","18.4533","0.0011","95.177","0.001","90.51","0.001","94.559","0.001","1992.9","0.2","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C21 H23 N O6 -","- C21 H23 N O6 -","- C84 H92 N4 O24 -","4","2","","Liu, Yufen; Du, Yanlong; Yu, Aimin; Mu, Haifeng; Meng, Xiangtai","DABCO-catalyzed unusual [4 + 2] cycloaddition reaction: non-substituted allenoate acts as a four-carbon synthon and facile synthesis of spirooxindoles.","Organic & biomolecular chemistry","2016","14","4","1226","1230","10.1039/c5ob02383a","","","0.71073","MoKα","","0.0579","0.0415","","","0.0892","0.0982","","","","","","1.015","","","","has coordinates,has disorder","176153","2020-10-21","18:00:00",""
"7154852","6.95182","0.00016","12.228","0.0003","30.5046","0.0006","90","","95.654","0.002","90","","2580.48","0.1","110.05","0.1","110.05","0.1","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","(3aRS,5aRS,9aRS,9bRS)-5a-methyl-3,9-dimethylenedecahydronaphtho[1,2-b]furan-2(9bH)-one","","- C15 H20 O2 -","- C15 H20 O2 -","- C120 H160 O16 -","8","2","","Lloyd, Matthew G.; D'Acunto, Mariantonietta; Taylor, Richard J. K.; Unsworth, William P.","A selective C-H insertion/olefination protocol for the synthesis of α-methylene-γ-butyrolactone natural products.","Organic & biomolecular chemistry","2016","14","5","1641","1645","10.1039/c5ob02579f","","x-ray","1.54184","CuKα","","0.0633","0.0487","","","0.1285","0.1362","","","","","","1.039","","","","has coordinates","176187","2020-10-21","18:00:00",""
"7154853","7.4631","0.0004","8.1068","0.0004","10.7071","0.0005","89.047","0.004","89.71","0.004","89.044","0.004","647.61","0.06","132","30","132","30","","","","","","","","3","P -1","-P 1","2","","(3aRS,5aRS,9aSR,9bRS)-5a,9-dimethyl-3-methylene-3a,4,5,5a,6,7,9a,9b-octahydronaphtho[1,2-b]furan-2(3H)-one","","- C15 H20 O2 -","- C15 H20 O2 -","- C30 H40 O4 -","2","1","","Lloyd, Matthew G.; D'Acunto, Mariantonietta; Taylor, Richard J. K.; Unsworth, William P.","A selective C-H insertion/olefination protocol for the synthesis of α-methylene-γ-butyrolactone natural products.","Organic & biomolecular chemistry","2016","14","5","1641","1645","10.1039/c5ob02579f","","x-ray","1.54181","CuKα","","0.0439","0.0395","","","0.108","0.1119","","","","","","1.05","","","","has coordinates,has disorder","176187","2020-10-21","18:00:00",""
"7154854","23.0721","0.001","6.5804","0.0002","26.2324","0.0011","90","","117.509","0.005","90","","3532.4","0.3","110.05","0.1","110.05","0.1","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","(4aSR,8SR,8aSR)-8-((tert-butyldimethylsilyl)oxy)-4a-methyloctahydronaphthalen-1(2H)-one","","- C17 H32 O2 Si -","- C17 H32 O2 Si -","- C136 H256 O16 Si8 -","8","1","","Lloyd, Matthew G.; D'Acunto, Mariantonietta; Taylor, Richard J. K.; Unsworth, William P.","A selective C-H insertion/olefination protocol for the synthesis of α-methylene-γ-butyrolactone natural products.","Organic & biomolecular chemistry","2016","14","5","1641","1645","10.1039/c5ob02579f","","x-ray","1.54184","CuKα","","0.0386","0.0349","","","0.0925","0.0961","","","","","","1.043","","","","has coordinates","176187","2020-10-21","18:00:00",""
"7154855","9.7918","0.0015","10.8744","0.0017","17.136","0.003","90","","90","","90","","1824.6","0.5","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C20 H16 Br N O4 -","- C20 H16 Br N O4 -","- C80 H64 Br4 N4 O16 -","4","1","","Zhu, Ling; Yu, Chenxia; Li, Tuanjie; Wang, Yuhong; Lu, Yinan; Wang, Wenjing; Yao, Changsheng","N-Heterocyclic carbene-catalyzed [4 + 2] cyclization of α,β-unsaturated carboxylic acids bearing γ-H with isatins: an enantioselective synthesis of spirocyclic oxindole-dihydropyranones.","Organic & biomolecular chemistry","2016","14","4","1485","1491","10.1039/c5ob02160j","","","0.71073","MoKα","","0.0347","0.0284","","","0.0742","0.077","","","","","","1.053","","","","has coordinates","176155","2020-10-21","18:00:00",""
"7154856","6.8943","0.0002","11.6898","0.0004","32.2785","0.0011","90","","90","","90","","2601.42","0.15","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","Suprasterol analog","","- C27 H46 O4 -","- C27 H46 O4 -","- C108 H184 O16 -","4","1","","Kulesza, Urszula; Plum, Lori A.; DeLuca, Hector F.; Mouriño, Antonio; Sicinski, Rafal R.","A new suprasterol by photochemical reaction of 1α,25-dihydroxy-9-methylene-19-norvitamin D3.","Organic & biomolecular chemistry","2016","14","5","1646","1652","10.1039/c5ob01896j","","","0.71073","MoKα","","0.0592","0.043","","","0.0914","0.099","","","","","","1.04","","","","has coordinates","176180","2020-10-21","18:00:00",""
"7154857","21.0057","0.0003","4.0646","0.0001","12.0663","0.0002","90","","90","","90","","1030.22","0.03","200","0.1","200","0.1","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C9 H11 N5 S -","- C9 H11 N5 S -","- C36 H44 N20 S4 -","4","1","","Murray, Paul M.; Bellany, Fiona; Benhamou, Laure; Bučar, Dejan-Krešimir; Tabor, Alethea B.; Sheppard, Tom D.","The application of design of experiments (DoE) reaction optimisation and solvent selection in the development of new synthetic chemistry.","Organic & biomolecular chemistry","2016","14","8","2373","2384","10.1039/c5ob01892g","","x-ray","1.54184","CuKα","","0.0272","0.0261","","","0.0674","0.0684","","","","","","1.063","","","","has coordinates","177919","2020-10-21","18:00:00",""
"7154858","7.5439","0.0001","23.345","0.0004","5.8584","0.0001","90","","96.946","0.002","90","","1024.16","0.03","150","0.1","150","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C9 H11 N5 S -","- C9 H11 N5 S -","- C36 H44 N20 S4 -","4","1","","Murray, Paul M.; Bellany, Fiona; Benhamou, Laure; Bučar, Dejan-Krešimir; Tabor, Alethea B.; Sheppard, Tom D.","The application of design of experiments (DoE) reaction optimisation and solvent selection in the development of new synthetic chemistry.","Organic & biomolecular chemistry","2016","14","8","2373","2384","10.1039/c5ob01892g","","x-ray","1.54184","CuKα","","0.0339","0.0314","","","0.0843","0.0875","","","","","","1.046","","","","has coordinates","177919","2020-10-21","18:00:00",""
"7154862","4.7377","0.0005","21.5338","0.0019","10.5144","0.0008","90","","101.413","0.009","90","","1051.48","0.17","130","0.1","130","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Imidacloprid-olefin","","","- C9 H8 Cl N5 O2 -","- C9 H8 Cl N5 O2 -","- C36 H32 Cl4 N20 O8 -","4","1","","Fusetto, Roberto; White, Jonathan M.; Hutton, Craig A.; O'Hair, Richard A J","Structure of olefin-imidacloprid and gas-phase fragmentation chemistry of its protonated form.","Organic & biomolecular chemistry","2016","14","5","1715","1726","10.1039/c5ob02371h","","","1.5418","CuKα","","0.0654","0.0525","","","0.1398","0.1554","","","","","","1.091","","","","has coordinates","176175","2020-10-21","18:00:00",""
"7154863","6.892","0.0014","16.172","0.003","25.048","0.006","90","","100.1","0.03","90","","2748.5","1","113","2","113","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C38 H26 N2 -","- C38 H26 N2 -","- C152 H104 N8 -","4","1","","Ge, Qingmei; Li, Bin; Wang, Baiquan","Synthesis of substituted benzo[ij]imidazo[2,1,5-de]quinolizine by rhodium(iii)-catalyzed multiple C-H activation and annulations.","Organic & biomolecular chemistry","2016","14","5","1814","1821","10.1039/c5ob02515j","","","0.71073","MoKα","","0.0989","0.0668","","","0.1513","0.169","","","","","","1.064","","","","has coordinates,has disorder","176176","2020-10-21","18:00:00",""
"7154864","16.4941","0.0007","16.4941","0.0007","24.5221","0.0009","90","","90","","90","","6671.4","0.5","100","0.1","100","0.1","","","","","","","","5","P -4 b 2","P -4 -2ab","117","","","","- C69 H78 Cl2 N4 O14 -","- C69 H78 Cl2 N4 O14 -","- C276 H312 Cl8 N16 O56 -","4","0.5","","Grzybowski, Marek; Jeżewski, Artur; Deperasińska, Irena; Friese, Daniel H.; Banasiewicz, Marzena; Hugues, Vincent; Kozankiewicz, Bolesław; Blanchard-Desce, Mireille; Gryko, Daniel T.","Solvatofluorochromic, non-centrosymmetric π-expanded diketopyrrolopyrrole.","Organic & biomolecular chemistry","2016","14","6","2025","2033","10.1039/c5ob02583d","","","1.54184","CuKα","","0.1402","0.0749","","","0.1875","0.2164","","","","","","0.961","","","","has coordinates","176172","2020-10-21","18:00:00",""
"7154865","8.894","0.003","8.626","0.003","23.755","0.009","90","","99.61","0.007","90","","1796.9","1.1","298","2","298","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C22 H22 N2 O2 -","- C22 H22 N2 O2 -","- C88 H88 N8 O8 -","4","1","","Mayakrishnan, Sivakalai; Arun, Yuvaraj; Balachandran, Chandrasekar; Emi, Nobuhiko; Muralidharan, Doraiswamy; Perumal, Paramasivan Thirumalai","Synthesis of cinnolines via Rh(iii)-catalysed dehydrogenative C-H/N-H functionalization: aggregation induced emission and cell imaging.","Organic & biomolecular chemistry","2016","14","6","1958","1968","10.1039/c5ob02045j","","","0.71073","MoKα","","0.0986","0.0524","","","0.125","0.147","","","","","","1.004","","","","has coordinates","176173","2020-10-21","18:00:00",""
"7154866","12.02","0.003","12.515","0.005","15.361","0.005","89.45","0.02","69.94","0.014","72.86","0.016","2063.4","1.2","100","2","100","2","","","","","","","","5","P 1","P 1","1","","","","- C43 H36 Cl N3 O3 -","- C43 H36 Cl N3 O3 -","- C86 H72 Cl2 N6 O6 -","2","2","","Huang, Huicai; Bihani, Manisha; Zhao, John C.-G.","Stereoselective synthesis of spirooxindole derivatives using an organocatalyzed tandem Michael-Michael reaction.","Organic & biomolecular chemistry","2016","14","5","1755","1763","10.1039/c5ob02348c","","","0.71073","MoKα","","0.1406","0.1237","","","0.3204","0.3419","","","","","","1.954","","","","has coordinates","176179","2020-10-21","18:00:00",""
"7154867","9.9232","0.0013","21.836","0.002","11.4086","0.0013","90","","96.272","0.004","90","","2457.3","0.5","173","","173","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C31 H27 O3 P -","- C31 H27 O3 P -","- C124 H108 O12 P4 -","4","1","","Aitken, R. Alan; Karodia, Nazira; McCarron, Hollie B.; Rouxel, Cécile; Sahabo, Nina; Slawin, Alexandra M. Z.","Synthesis, structure and pyrolysis of stabilised phosphonium ylides containing saturated oxygen heterocycles.","Organic & biomolecular chemistry","2016","14","5","1794","1804","10.1039/c5ob02467f","","","0.71075","MoKα","","0.0523","0.0484","","","0.1405","0.143","","","","","","1.041","","","","has coordinates","176181","2020-10-21","18:00:00",""
"7154868","11.829","0.003","11.011","0.003","16.248","0.004","90","","93.341","0.007","90","","2112.7","0.9","93","","93","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C26 H27 O2 P -","- C26 H27 O2 P -","- C104 H108 O8 P4 -","4","1","","Aitken, R. Alan; Karodia, Nazira; McCarron, Hollie B.; Rouxel, Cécile; Sahabo, Nina; Slawin, Alexandra M. Z.","Synthesis, structure and pyrolysis of stabilised phosphonium ylides containing saturated oxygen heterocycles.","Organic & biomolecular chemistry","2016","14","5","1794","1804","10.1039/c5ob02467f","","","0.71075","MoKα","","0.041","0.0369","","","0.109","0.1113","","","","","","1.078","","","","has coordinates","176181","2020-10-21","18:00:00",""
"7154869","9.345","0.004","10.512","0.003","14.341","0.004","98.497","0.002","106.816","0.011","110.513","0.008","1213.3","0.7","125","","125","","","","","","","","","4","P 1","P 1","1","","","","- C28 H29 O5 P -","- C28 H29 O5 P -","- C56 H58 O10 P2 -","2","2","","Aitken, R. Alan; Karodia, Nazira; McCarron, Hollie B.; Rouxel, Cécile; Sahabo, Nina; Slawin, Alexandra M. Z.","Synthesis, structure and pyrolysis of stabilised phosphonium ylides containing saturated oxygen heterocycles.","Organic & biomolecular chemistry","2016","14","5","1794","1804","10.1039/c5ob02467f","","","1.54187","CuKα","","0.0589","0.057","","","0.1352","0.1371","","","","","","1.027","","","","has coordinates","176181","2020-10-21","18:00:00",""
"7154870","10.0529","0.0007","10.0781","0.0008","13.2162","0.0009","79.723","0.005","74.59","0.006","72.609","0.007","1224.69","0.16","290","2","290","2","","","","","","","","4","P -1","-P 1","2","","(rac)-(5S,6S,7S,8R)-Naphtho[2,3-d]-1,3-dioxole-6-carboxylic acid, 5,6,7,8-tetrahydro-8-hydroxy-5-(3,4,5-trimethoxyphenyl) -7-( dimethoxyphosphoryl)-, methyl ester","","- C24 H29 O11 P -","- C24 H29 O11 P -","- C48 H58 O22 P2 -","2","1","","Koprowski, Marek; Bałczewski, Piotr; Owsianik, Krzysztof; Różycka-Sokołowska, Ewa; Marciniak, Bernard","Total synthesis of (±)-epithuriferic acid methyl ester via Diels-Alder reaction.","Organic & biomolecular chemistry","2016","14","5","1822","1830","10.1039/c5ob02368h","","x-ray","1.54184","CuKα","","0.0663","0.0589","","","0.1887","0.2115","","","","","","1.156","","","","has coordinates","176185","2020-10-21","18:00:00",""
"7154871","10.9953","0.0004","27.3594","0.0008","9.1869","0.0004","90","","111.321","0.004","90","","2574.5","0.18","290","2","290","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(rac)-(5R,6R,7S,8R)-5,8-Epoxynaphtho[2,3-d]-1,3-dioxole-6-carboxylic acid, 5,6,7,8-tetrahydro-7-(dimethoxyphosphoryl) -5-(3,4,5-trimethoxyphenyl)-, methyl ester","","- C24 H27 O11 P -","- C24 H27 O11 P -","- C96 H108 O44 P4 -","4","1","","Koprowski, Marek; Bałczewski, Piotr; Owsianik, Krzysztof; Różycka-Sokołowska, Ewa; Marciniak, Bernard","Total synthesis of (±)-epithuriferic acid methyl ester via Diels-Alder reaction.","Organic & biomolecular chemistry","2016","14","5","1822","1830","10.1039/c5ob02368h","","","0.71073","MoKα","","0.0664","0.0599","","","0.1806","0.1879","","","","","","1.076","","","","has coordinates,has disorder","176185","2020-10-21","18:00:00",""
"7154872","9.9116","0.0019","24.089","0.004","12.239","0.002","90","","95.877","0.003","90","","2906.8","0.9","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","(N-Cbz-D-Ser-L-Ala-N-Me-L-Cys-N-Me-D-Val)2 (Serine-hydroxy)-Dilactone Disulfide","","- C52 H74 N8 O16 S2 -","- C52 H74 N8 O16 S2 -","- C104 H148 N16 O32 S4 -","2","1","","Hattori, Kozo; Koike, Kota; Okuda, Kensuke; Hirayama, Tasuku; Ebihara, Masahiro; Takenaka, Mei; Nagasawa, Hideko","Solution-phase synthesis and biological evaluation of triostin A and its analogues.","Organic & biomolecular chemistry","2016","14","6","2090","2111","10.1039/c5ob02505b","","","0.71075","MoKα","","0.1015","0.0604","","","0.0976","0.1139","","","","","","1.079","","","","has coordinates,has disorder","176167","2020-10-21","18:00:00",""
"7154873","15.515","0.004","17.783","0.005","22.102","0.006","90","","90","","90","","6098","3","138","2","138","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","[N-(Quinoxaline-2-carbonyl)-D-Ser-L-Ala-N-Me-L-Cys-N-Me-D-Val]2 (Serine-hydroxy)-Dilactone Disulfide","","- C50 H68 N12 O15 S2 -","- C50 H62 N12 O15 S2 -","- C200 H248 N48 O60 S8 -","4","1","","Hattori, Kozo; Koike, Kota; Okuda, Kensuke; Hirayama, Tasuku; Ebihara, Masahiro; Takenaka, Mei; Nagasawa, Hideko","Solution-phase synthesis and biological evaluation of triostin A and its analogues.","Organic & biomolecular chemistry","2016","14","6","2090","2111","10.1039/c5ob02505b","","","0.71075","MoKα","","0.2746","0.1654","","","0.372","0.4402","","","","","","1.098","","","","has coordinates","176167","2020-10-21","18:00:00",""
"7154874","9.2664","0.0007","23.3329","0.0017","14.1502","0.0011","90","","107.667","0.002","90","","2915.1","0.4","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C34 H37 N3 O2 -","- C34 H37 N3 O2 -","- C136 H148 N12 O8 -","4","1","","Biswal, Biswonath; Mallick, Debajani; Bag, Bamaprasad","Signaling preferences of substituted pyrrole coupled six-membered rhodamine spirocyclic probes for Hg(2+) ion detection.","Organic & biomolecular chemistry","2016","14","7","2241","2248","10.1039/c5ob02606g","","","0.71073","MoKα","","0.1674","0.0872","","","0.2039","0.25","","","","","","1.044","","","","has coordinates","177899","2020-10-21","18:00:00",""
"7154875","11.9899","0.0009","12.8443","0.0013","13.7345","0.0009","106.461","0.007","90.28","0.006","95.846","0.007","2016.6","0.3","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C25 H17 N O5 -","- C25 H17 N O5 -","- C100 H68 N4 O20 -","4","2","","Biswas, Soumen; Dagar, Anuradha; Mobin, Shaikh M.; Samanta, Sampak","DABCO catalyzed domino Michael/hydroalkoxylation reaction involving α-alkynyl-β-aryl nitroolefins: excellent stereoselective access to dihydropyrano[3,2-c]chromenes, pyranonaphthoquinones and related heterocycles.","Organic & biomolecular chemistry","2016","14","6","1940","1945","10.1039/c5ob02400e","","","1.54184","CuKα","","0.1308","0.0947","","","0.2736","0.3265","","","","","","1.043","","","","has coordinates","183084","2020-10-21","18:00:00",""
"7154876","9.1585","0.0003","15.4867","0.0004","15.0435","0.0004","90","","107.598","0.003","90","","2033.84","0.11","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C25 H17 N O5 -","- C25 H17 N O5 -","- C100 H68 N4 O20 -","4","2","","Biswas, Soumen; Dagar, Anuradha; Mobin, Shaikh M.; Samanta, Sampak","DABCO catalyzed domino Michael/hydroalkoxylation reaction involving α-alkynyl-β-aryl nitroolefins: excellent stereoselective access to dihydropyrano[3,2-c]chromenes, pyranonaphthoquinones and related heterocycles.","Organic & biomolecular chemistry","2016","14","6","1940","1945","10.1039/c5ob02400e","","","0.71073","MoKα","","0.0675","0.047","","","0.1211","0.1394","","","","","","1.097","","","","has coordinates","176169","2020-10-21","18:00:00",""
"7154877","9.2495","0.001","8.8594","0.0007","26.022","0.003","90","","115.322","0.012","90","","1927.5","0.4","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C25 H20 O3 -","- C25 H20 O3 -","- C100 H80 O12 -","4","1","","Biswas, Soumen; Dagar, Anuradha; Mobin, Shaikh M.; Samanta, Sampak","DABCO catalyzed domino Michael/hydroalkoxylation reaction involving α-alkynyl-β-aryl nitroolefins: excellent stereoselective access to dihydropyrano[3,2-c]chromenes, pyranonaphthoquinones and related heterocycles.","Organic & biomolecular chemistry","2016","14","6","1940","1945","10.1039/c5ob02400e","","","0.71073","MoKα","","0.0991","0.0685","","","0.2078","0.258","","","","","","1.108","","","","has coordinates","176169","2020-10-21","18:00:00",""
"7154878","8.3205","0.0003","26.25","0.001","8.5535","0.0003","90","","100.859","0.004","90","","1834.74","0.12","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H18 F N O4 -","- C22 H18 F N O4 -","- C88 H72 F4 N4 O16 -","4","1","","Biswas, Soumen; Dagar, Anuradha; Mobin, Shaikh M.; Samanta, Sampak","DABCO catalyzed domino Michael/hydroalkoxylation reaction involving α-alkynyl-β-aryl nitroolefins: excellent stereoselective access to dihydropyrano[3,2-c]chromenes, pyranonaphthoquinones and related heterocycles.","Organic & biomolecular chemistry","2016","14","6","1940","1945","10.1039/c5ob02400e","","","0.71073","MoKα","","0.0788","0.0597","","","0.1934","0.2293","","","","","","1.163","","","","has coordinates","176169","2020-10-21","18:00:00",""
"7154879","8.9739","0.0013","9.832","0.0014","11.477","0.0016","108.891","0.003","91.301","0.003","95.799","0.003","951.5","0.2","100","0.5","100","0.5","","","","","","","","5","P -1","-P 1","2","ritmc11","","","- C20 H21 Cl O2 Si -","- C20 H21 Cl O2 Si -","- C40 H42 Cl2 O4 Si2 -","2","1","","Thomas, Thomas J.; Merritt, Benjamin A.; Lemma, Betsegaw E.; McKoy, Adina M.; Nguyen, Tri; Swenson, Andrew K.; Mills, Jeffrey L.; Coleman, Michael G.","Cyclopropenation of internal alkynylsilanes and diazoacetates catalyzed by copper(i) N-heterocyclic carbene complexes.","Organic & biomolecular chemistry","2016","14","5","1742","1747","10.1039/c5ob02259b","","","0.71073","MoKα","","0.0417","0.0334","","","0.093","0.0985","","","","","","1.041","","","","has coordinates","176177","2020-10-21","18:00:00",""
"7154880","9.3651","0.0003","19.533","0.0006","12.7944","0.0004","90","","109.83","0.001","90","","2201.68","0.12","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C17 H27 N5 O5 S3 -","- C17 H27 N5 O5 S3 -","- C68 H108 N20 O20 S12 -","4","1","","Blackburn, J.; Molyneux, G.; Pitard, A.; Rice, C. R.; Page, M. I.; Afshinjavid, S.; Javid, F. A.; Coles, S. J.; Horton, P. N.; Hemming, K.","Synthesis, conformation and antiproliferative activity of isothiazoloisoxazole 1,1-dioxides.","Organic & biomolecular chemistry","2016","14","6","2134","2144","10.1039/c5ob02586a","","","0.71073","MoKα","","0.0433","0.0321","","","0.0782","0.0835","","","","","","1.021","","","","has coordinates","176166","2020-10-21","18:00:00",""
"7154881","8.9413","0.0004","11.7201","0.0005","13.5584","0.0006","95.727","0.001","94.027","0.001","105.992","0.001","1351.91","0.1","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C24 H29 Cl2 N3 O7 S2 -","- C24 H29 Cl2 N3 O7 S2 -","- C48 H58 Cl4 N6 O14 S4 -","2","1","","Blackburn, J.; Molyneux, G.; Pitard, A.; Rice, C. R.; Page, M. I.; Afshinjavid, S.; Javid, F. A.; Coles, S. J.; Horton, P. N.; Hemming, K.","Synthesis, conformation and antiproliferative activity of isothiazoloisoxazole 1,1-dioxides.","Organic & biomolecular chemistry","2016","14","6","2134","2144","10.1039/c5ob02586a","","","0.71073","MoKα","","0.0358","0.0307","","","0.0766","0.0801","","","","","","0.993","","","","has coordinates","176166","2020-10-21","18:00:00",""
"7154882","8.9873","0.0005","11.099","0.0006","13.0584","0.0007","70.595","0.001","76.291","0.001","83.975","0.002","1193.09","0.11","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C23 H27 N3 O6 S2 -","- C23 H27 N3 O6 S2 -","- C46 H54 N6 O12 S4 -","2","1","","Blackburn, J.; Molyneux, G.; Pitard, A.; Rice, C. R.; Page, M. I.; Afshinjavid, S.; Javid, F. A.; Coles, S. J.; Horton, P. N.; Hemming, K.","Synthesis, conformation and antiproliferative activity of isothiazoloisoxazole 1,1-dioxides.","Organic & biomolecular chemistry","2016","14","6","2134","2144","10.1039/c5ob02586a","","","0.71073","MoKα","","0.0502","0.0379","","","0.1018","0.1091","","","","","","1.016","","","","has coordinates","176166","2020-10-21","18:00:00",""
"7154883","11.7894","0.0015","14.752","0.002","14.5737","0.0019","90","","113.86","","90","","2318","0.5","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C23 H27 N3 O6 S2 -","- C23 H27 N3 O6 S2 -","- C92 H108 N12 O24 S8 -","4","1","","Blackburn, J.; Molyneux, G.; Pitard, A.; Rice, C. R.; Page, M. I.; Afshinjavid, S.; Javid, F. A.; Coles, S. J.; Horton, P. N.; Hemming, K.","Synthesis, conformation and antiproliferative activity of isothiazoloisoxazole 1,1-dioxides.","Organic & biomolecular chemistry","2016","14","6","2134","2144","10.1039/c5ob02586a","","","0.71073","MoKα","","0.0761","0.0391","","","0.0681","0.0748","","","","","","0.816","","","","has coordinates","176166","2020-10-21","18:00:00",""
"7154884","12.9462","0.0007","14.7915","0.0007","21.2167","0.0008","90","","90","","90","","4062.9","0.3","120","2","120","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C18 H23 N3 O6 S -","- C18 H23 N3 O6 S -","- C144 H184 N24 O48 S8 -","8","1","","Blackburn, J.; Molyneux, G.; Pitard, A.; Rice, C. R.; Page, M. I.; Afshinjavid, S.; Javid, F. A.; Coles, S. J.; Horton, P. N.; Hemming, K.","Synthesis, conformation and antiproliferative activity of isothiazoloisoxazole 1,1-dioxides.","Organic & biomolecular chemistry","2016","14","6","2134","2144","10.1039/c5ob02586a","","","0.71073","MoKα","","0.0996","0.0565","","","0.1307","0.1488","","","","","","1.062","","","","has coordinates","176166","2020-10-21","18:00:00",""
"7154885","8.926","0.0008","15.4665","0.0007","17.789","0.0015","90","","99.9","0.003","90","","2419.3","0.3","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C27 H28 N4 O3 S -","- C27 H28 N4 O3 S -","- C108 H112 N16 O12 S4 -","4","1","","Blackburn, J.; Molyneux, G.; Pitard, A.; Rice, C. R.; Page, M. I.; Afshinjavid, S.; Javid, F. A.; Coles, S. J.; Horton, P. N.; Hemming, K.","Synthesis, conformation and antiproliferative activity of isothiazoloisoxazole 1,1-dioxides.","Organic & biomolecular chemistry","2016","14","6","2134","2144","10.1039/c5ob02586a","","","0.71073","MoKα","","0.1628","0.0734","","","0.1359","0.1645","","","","","","1.015","","","","has coordinates","176166","2020-10-21","18:00:00",""
"7154886","22.546","0.014","9.314","0.01","10.283","0.009","90","","98.43","0.06","90","","2136","3","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C25 H30 N2 O3 -","- C25 H30 N2 O3 -","- C100 H120 N8 O12 -","4","1","","Broadley, Kenneth J.; Buffat, Maxime G. P.; Burnell, Erica; Davies, Robin H.; Moreau, Xavier; Snee, Stephen; Thomas, Eric J.","Stereoselective synthesis of oxazolidinonyl-fused piperidines of interest as selective muscarinic (M1) receptor agonists: a novel M1 allosteric modulator.","Organic & biomolecular chemistry","2016","14","6","2057","2089","10.1039/c5ob02588e","","","0.71073","MoKα","","0.0697","0.0415","","","0.0902","0.0974","","","","","","0.869","","","","has coordinates","176168","2020-10-21","18:00:00",""
"7154887","12.1292","0.0018","14.039","0.002","12.6549","0.0019","90","","115.27","0.003","90","","1948.7","0.5","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C17 H31 N O4 Si -","- C17 H31 N O4 Si -","- C68 H124 N4 O16 Si4 -","4","1","","Broadley, Kenneth J.; Buffat, Maxime G. P.; Burnell, Erica; Davies, Robin H.; Moreau, Xavier; Snee, Stephen; Thomas, Eric J.","Stereoselective synthesis of oxazolidinonyl-fused piperidines of interest as selective muscarinic (M1) receptor agonists: a novel M1 allosteric modulator.","Organic & biomolecular chemistry","2016","14","6","2057","2089","10.1039/c5ob02588e","","","0.71073","MoKα","","0.0645","0.0408","","","0.0901","0.0961","","","","","","0.896","","","","has coordinates","176168","2020-10-21","18:00:00",""
"7154888","10.4841","0.0007","13.2138","0.0009","33.919","0.002","90","","93.494","0.001","90","","4690.2","0.5","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C26 H33 N O5 -","- C26 H33 N O5 -","- C208 H264 N8 O40 -","8","2","","Broadley, Kenneth J.; Buffat, Maxime G. P.; Burnell, Erica; Davies, Robin H.; Moreau, Xavier; Snee, Stephen; Thomas, Eric J.","Stereoselective synthesis of oxazolidinonyl-fused piperidines of interest as selective muscarinic (M1) receptor agonists: a novel M1 allosteric modulator.","Organic & biomolecular chemistry","2016","14","6","2057","2089","10.1039/c5ob02588e","","","0.71073","MoKα","","0.094","0.0449","","","0.0962","0.1167","","","","","","0.87","","","","has coordinates","176168","2020-10-21","18:00:00",""
"7154889","11.874","0.003","18.239","0.004","9.829","0.002","90","","94.881","0.004","90","","2120.9","0.8","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H28 N2 O3 -","- C24 H28 N2 O3 -","- C96 H112 N8 O12 -","4","1","","Broadley, Kenneth J.; Buffat, Maxime G. P.; Burnell, Erica; Davies, Robin H.; Moreau, Xavier; Snee, Stephen; Thomas, Eric J.","Stereoselective synthesis of oxazolidinonyl-fused piperidines of interest as selective muscarinic (M1) receptor agonists: a novel M1 allosteric modulator.","Organic & biomolecular chemistry","2016","14","6","2057","2089","10.1039/c5ob02588e","","","0.71073","MoKα","","0.1041","0.0534","","","0.0905","0.1032","","","","","","0.928","","","","has coordinates","176168","2020-10-21","18:00:00",""
"7154890","13.818","0.002","14.714","0.002","14.863","0.003","76.01","0.004","82.84","0.004","70.291","0.003","2757.4","0.8","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H30 N3 O7 S -","- C30 H30 N3 O7 S -","- C120 H120 N12 O28 S4 -","4","2","","Broadley, Kenneth J.; Buffat, Maxime G. P.; Burnell, Erica; Davies, Robin H.; Moreau, Xavier; Snee, Stephen; Thomas, Eric J.","Stereoselective synthesis of oxazolidinonyl-fused piperidines of interest as selective muscarinic (M1) receptor agonists: a novel M1 allosteric modulator.","Organic & biomolecular chemistry","2016","14","6","2057","2089","10.1039/c5ob02588e","","","0.71073","MoKα","","0.2054","0.0668","","","0.1249","0.2176","","","","","","0.82","","","","has coordinates,has disorder","176168","2020-10-21","18:00:00",""
"7154891","12.5236","0.0003","7.538","0.0002","12.9539","0.0003","90","","92.676","0.002","90","","1221.55","0.05","150","2","150","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C24 H30 N2 O6 S2 -","- C24 H30 N2 O6 S2 -","- C48 H60 N4 O12 S4 -","2","1","","Rast, Slavko; Modec, Barbara; Stephan, Michel; Mohar, Barbara","γ-Sultam-cored N,N-ligands in the ruthenium(ii)-catalyzed asymmetric transfer hydrogenation of aryl ketones.","Organic & biomolecular chemistry","2016","14","6","2112","2120","10.1039/c5ob02352a","","","0.71073","MoKα","","0.0556","0.0482","","","0.1157","0.123","","","","","","1.037","","","","has coordinates","176171","2020-10-21","18:00:00",""
"7154892","13.1356","0.0002","7.0352","0.0001","14.6189","0.0002","90","","112.865","0.0008","90","","1244.81","0.03","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C24 H30 N2 O6 S2 -","- C24 H30 N2 O6 S2 -","- C48 H60 N4 O12 S4 -","2","1","","Rast, Slavko; Modec, Barbara; Stephan, Michel; Mohar, Barbara","γ-Sultam-cored N,N-ligands in the ruthenium(ii)-catalyzed asymmetric transfer hydrogenation of aryl ketones.","Organic & biomolecular chemistry","2016","14","6","2112","2120","10.1039/c5ob02352a","","","0.71073","MoKα","","0.0546","0.0474","","","0.1106","0.13","","","","","","1.28","","","","has coordinates","176171","2020-10-21","18:00:00",""
"7154893","8.1388","0.0002","9.6226","0.0002","9.754","0.0002","117.197","0.0015","112.306","0.0017","92.1331","0.0015","607.64","0.03","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H11 N O2 S -","- C14 H11 N O2 S -","- C28 H22 N2 O4 S2 -","2","1","","Rast, Slavko; Modec, Barbara; Stephan, Michel; Mohar, Barbara","γ-Sultam-cored N,N-ligands in the ruthenium(ii)-catalyzed asymmetric transfer hydrogenation of aryl ketones.","Organic & biomolecular chemistry","2016","14","6","2112","2120","10.1039/c5ob02352a","","","0.71073","MoKα","","0.0415","0.0347","","","0.0909","0.0958","","","","","","1.046","","","","has coordinates","176171","2020-10-21","18:00:00",""
"7154894","4.7902","0.0001","12.6722","0.0002","16.8843","0.0003","90","","90","","90","","1024.92","0.03","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C11 H12 O3 -","- C11 H12 O3 -","- C44 H48 O12 -","4","1","","Rast, Slavko; Modec, Barbara; Stephan, Michel; Mohar, Barbara","γ-Sultam-cored N,N-ligands in the ruthenium(ii)-catalyzed asymmetric transfer hydrogenation of aryl ketones.","Organic & biomolecular chemistry","2016","14","6","2112","2120","10.1039/c5ob02352a","","","1.54184","CuKα","","0.044","0.0418","","","0.1174","0.1206","","","","","","1.062","","","","has coordinates","176171","2020-10-21","18:00:00",""
"7154895","27.353","0.006","10.741","0.002","26.149","0.005","90","","107.5","0.03","90","","7327","3","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","tetrabutylammonium di(bis(diphenylphosphino)methane)hexacyanodimolybdate .dihydrate.2 acetonitrile","","- C76 H90 Mo2 N9 O2 P4 -","- C76 H90 Mo2 N9 O2 P4 -","- C304 H360 Mo8 N36 O8 P16 -","4","0.5","","Badigenchala, Sindhura; Rajeshkumar, Venkatachalam; Sekar, Govindasamy","Iodine mediated intramolecular C2-amidative cyclization of indoles: a facile access to indole fused tetracycles.","Organic & biomolecular chemistry","2016","14","7","2297","2305","10.1039/c5ob02449h","","","0.71073","MoKα","","0.0995","0.0602","","","0.1166","0.1311","","","","","","1.052","","","","has coordinates","177905","2020-10-21","18:00:00",""
"7154896","12.1784","0.0003","10.455","0.0002","22.4818","0.0004","90","","99.8798","0.0018","90","","2820.05","0.1","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C55 H88 O11 Si -","- C55 H88 O11 Si -","- C110 H176 O22 Si2 -","2","1","","Zhang, Wenxuan; Wu, Jun; Li, Bo; Wu, Hongna; Wang, Liu; Hao, Jie; Wu, Song; Zhou, Qi","Structure-activity & structure-toxicity relationship study of salinomycin diastereoisomers and their benzoylated derivatives.","Organic & biomolecular chemistry","2016","14","10","2840","2845","10.1039/c5ob02303c","","x-ray","1.54184","CuKα","","0.0541","0.0447","","","0.1202","0.1312","","","","","","1.021","","","","has coordinates","177910","2020-10-21","18:00:00",""
"7154897","12.087","0.003","21.192","0.005","12.419","0.003","90","","93.461","0.005","90","","3175.3","1.3","100","2","100","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C36 H28 N3 O6 P -","- C36 H28 N3 O6 P -","- C144 H112 N12 O24 P4 -","4","1","","Chuang, Shih-Ching; Sung, Shih-Ping; Deng, Jie-Cheng; Chiou, Mong-Feng; Hsu, Day-Shin","Multicomponent reactions of phosphines, enynedioates and benzylidene malononitriles generated highly substituted cyclopentenes through an unexpected phosphine α-addition-δ-evolvement of an anion pathway.","Organic & biomolecular chemistry","2016","14","7","2306","2317","10.1039/c5ob02445e","","","0.71073","MoKα","","0.0269","0.0259","","","0.0619","0.0627","","","","","","1.031","","","","has coordinates","177906","2020-10-21","18:00:00",""
"7154898","10.4651","0.0007","27.3604","0.0018","11.6914","0.0009","90","","112.634","0.002","90","","3089.8","0.4","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C36 H28 N3 O6 P -","- C36 H28 N3 O6 P -","- C144 H112 N12 O24 P4 -","4","1","","Chuang, Shih-Ching; Sung, Shih-Ping; Deng, Jie-Cheng; Chiou, Mong-Feng; Hsu, Day-Shin","Multicomponent reactions of phosphines, enynedioates and benzylidene malononitriles generated highly substituted cyclopentenes through an unexpected phosphine α-addition-δ-evolvement of an anion pathway.","Organic & biomolecular chemistry","2016","14","7","2306","2317","10.1039/c5ob02445e","","","0.71073","MoKα","","0.0635","0.0424","","","0.1242","0.162","","","","","","1.106","","","","has coordinates","177906","2020-10-21","18:00:00",""
"7154899","9.6198","0.0008","11.1689","0.0009","13.4682","0.0006","113.744","0.006","93.929","0.005","90.612","0.007","1320.3","0.18","251","18","251","18","","","","","","","","5","P -1","-P 1","2","","spiroindolopyrrole","","- C32 H24 Br N3 O3 -","- C32 H24 Br N3 O3 -","- C64 H48 Br2 N6 O6 -","2","1","","Muthusamy, Sengodagounder; Kumar, Singaravelan Ganesh","Copper(i) catalyzed diastereoselective multicomponent synthesis of spiroindolo-pyrrolidines/-imidazolidines/-triazolidines from diazoamides via azomethine ylides.","Organic & biomolecular chemistry","2016","14","7","2228","2240","10.1039/c5ob02322j","","","0.7107","MoKα","","0.0877","0.0513","","","0.1299","0.162","","","","","","0.883","","","","has coordinates","177900","2020-10-21","18:00:00",""
"7154900","13.4366","0.0009","9.3183","0.0006","23.8673","0.0016","90","","91.562","0.001","90","","2987.2","0.3","295","2","295","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","spiroindoloimidazolidine","imidazolidine","","- C36 H31 N3 O3 S -","- C36 H31 N3 O3 S -","- C144 H124 N12 O12 S4 -","4","1","","Muthusamy, Sengodagounder; Kumar, Singaravelan Ganesh","Copper(i) catalyzed diastereoselective multicomponent synthesis of spiroindolo-pyrrolidines/-imidazolidines/-triazolidines from diazoamides via azomethine ylides.","Organic & biomolecular chemistry","2016","14","7","2228","2240","10.1039/c5ob02322j","","","0.71073","MoKα","","0.0633","0.05","","","0.1323","0.1412","","","","","","1.032","","","","has coordinates","177900","2020-10-21","18:00:00",""
"7154901","7.1207","0.0005","7.6201","0.0005","25.3427","0.0017","90","","96.993","0.001","90","","1364.88","0.16","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","N-(2-(hydroxymethyl)phenyl)-2-naphthamide","","- C18 H15 N O2 -","- C18 H15 N O2 -","- C72 H60 N4 O8 -","4","1","","De Los Santos, Zeus A.; Ding, Ransheng; Wolf, Christian","Quantitative chirality sensing of amines and amino alcohols via Schiff base formation with a stereodynamic UV/CD probe.","Organic & biomolecular chemistry","2016","14","6","1934","1939","10.1039/c5ob02529j","","x-ray","0.71073","MoKα","","0.0391","0.0376","","","0.107","0.1085","","","","","","1.1","","","","has coordinates","176174","2020-10-21","18:00:00",""
"7154902","5.8608","0.0011","13.688","0.003","27.498","0.005","90","","90","","90","","2206","0.8","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(R)-N-(2-(((1-(Naphthalen-2-yl)ethyl)imino)methyl)phenyl)-2-naphthamide","","- C30 H24 N2 O -","- C30 H24 N2 O -","- C120 H96 N8 O4 -","4","1","","De Los Santos, Zeus A.; Ding, Ransheng; Wolf, Christian","Quantitative chirality sensing of amines and amino alcohols via Schiff base formation with a stereodynamic UV/CD probe.","Organic & biomolecular chemistry","2016","14","6","1934","1939","10.1039/c5ob02529j","","x-ray","0.71073","MoKα","","0.1676","0.1288","","","0.2958","0.3111","","","","","","1.075","","","","has coordinates","176174","2020-10-21","18:00:00",""
"7154903","24.4271","0.0014","3.7892","0.0003","14.3031","0.0007","90","","90","","90","","1323.88","0.14","296","2","296","2","","","","","","","","4","P n a 21","P 2c -2n","33","","N-(2-formylphenyl)-2-naphthamide","","- C18 H13 N O2 -","- C18 H13 N O2 -","- C72 H52 N4 O8 -","4","1","","De Los Santos, Zeus A.; Ding, Ransheng; Wolf, Christian","Quantitative chirality sensing of amines and amino alcohols via Schiff base formation with a stereodynamic UV/CD probe.","Organic & biomolecular chemistry","2016","14","6","1934","1939","10.1039/c5ob02529j","","","0.71073","MoKα","","0.0457","0.0372","","","0.0934","0.097","","","","","","1.06","","","","has coordinates","176174","2020-10-21","18:00:00",""
"7154904","11.98","0.003","13.777","0.003","14.492","0.003","83.296","0.005","80.97","0.005","87.489","0.005","2345.3","0.9","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C25.5 H21 Cl2 N2 O3.5 -","- C25.5 H21 Cl2 N2 O3.5 -","- C102 H84 Cl8 N8 O14 -","4","2","","Zhao, Yulei; Duan, Qizhao; Zhou, Yuanyuan; Yao, Qiyi; Li, Yanzhong","Gold-catalyzed chemo- and diastereoselective C(sp(2))-H functionalization of enaminones for the synthesis of pyrrolo[3,4-c]-quinolin-1-one derivatives.","Organic & biomolecular chemistry","2016","14","7","2177","2181","10.1039/c5ob02556g","","","0.71073","MoKα","","0.1326","0.0787","","","0.1858","0.2211","","","","","","1.005","","","","has coordinates","193656","2020-10-21","18:00:00",""
"7154905","7.0166","0.0005","13.28","0.0009","13.9998","0.001","66.514","0.001","85.309","0.001","89.301","0.001","1192.13","0.15","130","","130","","","","","","","","","5","P -1","-P 1","2","","","","- C25 H17 Cl5 N2 O2 -","- C25 H17 Cl5 N2 O2 -","- C50 H34 Cl10 N4 O4 -","2","1","","Zhao, Yulei; Duan, Qizhao; Zhou, Yuanyuan; Yao, Qiyi; Li, Yanzhong","Gold-catalyzed chemo- and diastereoselective C(sp(2))-H functionalization of enaminones for the synthesis of pyrrolo[3,4-c]-quinolin-1-one derivatives.","Organic & biomolecular chemistry","2016","14","7","2177","2181","10.1039/c5ob02556g","","","0.71073","MoKα","","0.0681","0.0537","","","0.1357","0.1467","","","","","","1.053","","","","has coordinates","177903","2020-10-21","18:00:00",""
"7154906","10.8633","0.0016","11.9397","0.0018","12.4101","0.0019","88.791","0.002","73.634","0.002","78.963","0.002","1514.9","0.4","293","2","293","2","","","","","","","synthesis as described","5","P -1","-P 1","2","","","","- C31 H41 N3 O5 S -","- C31 H41 N3 O5 S -","- C62 H82 N6 O10 S2 -","2","1","","Andreini, Manuel; Chapellas, Fabien; Diab, Sonia; Pasturaud, Karine; Piettre, Serge R.; Legros, Julien; Chataigner, Isabelle","Addition of 4-(cyclohex-1-en-1-yl)morpholine on 3-nitroindole: an unprecedented dearomatizing process.","Organic & biomolecular chemistry","2016","14","10","2833","2839","10.1039/c5ob02595h","","x-ray","0.71073","MoKα","","0.0755","0.0641","","","0.1804","0.1921","","","","","","1.024","","","","has coordinates","177914","2020-10-21","18:00:00",""
"7154907","15.3949","0.0014","9.5101","0.0009","16.3426","0.0015","90","","110.86","0.002","90","","2235.8","0.4","293","2","293","2","","","","","","","synthesis as described","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H26 N2 O4 S -","- C24 H26 N2 O4 S -","- C96 H104 N8 O16 S4 -","4","1","","Andreini, Manuel; Chapellas, Fabien; Diab, Sonia; Pasturaud, Karine; Piettre, Serge R.; Legros, Julien; Chataigner, Isabelle","Addition of 4-(cyclohex-1-en-1-yl)morpholine on 3-nitroindole: an unprecedented dearomatizing process.","Organic & biomolecular chemistry","2016","14","10","2833","2839","10.1039/c5ob02595h","","x-ray","0.71073","MoKα","","0.067","0.0545","","","0.1323","0.1416","","","","","","0.95","","","","has coordinates","177914","2020-10-21","18:00:00",""
"7154908","10.4217","0.0009","10.697","0.0009","11.331","0.001","68.223","0.001","65.391","0.001","66.066","0.001","1018.2","0.15","293","2","293","2","","","","","","","synthesis as described","4","P -1","-P 1","2","","","","- C22 H22 N2 O6 -","- C22 H22 N2 O6 -","- C44 H44 N4 O12 -","2","1","","Andreini, Manuel; Chapellas, Fabien; Diab, Sonia; Pasturaud, Karine; Piettre, Serge R.; Legros, Julien; Chataigner, Isabelle","Addition of 4-(cyclohex-1-en-1-yl)morpholine on 3-nitroindole: an unprecedented dearomatizing process.","Organic & biomolecular chemistry","2016","14","10","2833","2839","10.1039/c5ob02595h","","x-ray","0.71073","MoKα","","0.0589","0.0491","","","0.1214","0.1288","","","","","","1.05","","","","has coordinates","177914","2020-10-21","18:00:00",""
"7154909","20.7675","0.0011","9.1432","0.0004","22.9483","0.0013","90","","90","","90","","4357.5","0.4","122","2","122","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C30 H20 N2 -","- C30 H20 N2 -","- C240 H160 N16 -","8","1","","Petersen, Anne Ugleholdt; Jevric, Martyn; Elm, Jonas; Olsen, Stine T.; Tortzen, Christian G.; Kadziola, Anders; Mikkelsen, Kurt V.; Nielsen, Mogens Brøndsted","Azulenium chemistry: towards new derivatives of photochromic dihydroazulenes.","Organic & biomolecular chemistry","2016","14","8","2403","2412","10.1039/c5ob02523k","","x-ray","0.71073","MoKα","","0.0682","0.0396","","","0.0814","0.0923","","","","","","1.032","","","","has coordinates","177918","2020-10-21","18:00:00",""
"7154910","8.4949","0.0003","9.3648","0.0004","13.7906","0.0006","109.695","0.0014","101.587","0.0012","94.8212","0.0013","998.07","0.07","122","","122","","","","","","","","","3","P -1","-P 1","2","","2,3,7-triphenylazulene-1-carbonitrile","","- C29 H19 N -","- C29 H19 N -","- C58 H38 N2 -","2","1","","Petersen, Anne Ugleholdt; Jevric, Martyn; Elm, Jonas; Olsen, Stine T.; Tortzen, Christian G.; Kadziola, Anders; Mikkelsen, Kurt V.; Nielsen, Mogens Brøndsted","Azulenium chemistry: towards new derivatives of photochromic dihydroazulenes.","Organic & biomolecular chemistry","2016","14","8","2403","2412","10.1039/c5ob02523k","","x-ray","0.71073","MoKα","","0.0757","0.0492","","","0.1197","0.1334","","","","","","1.023","","","","has coordinates","177918","2020-10-21","18:00:00",""
"7154911","7.8828","0.0006","19.5599","0.0018","15.6723","0.0015","90","","99.621","0.003","90","","2382.5","0.4","122","2","122","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C28 H31 N Si -","- C28 H31 N Si -","- C112 H124 N4 Si4 -","4","1","","Petersen, Anne Ugleholdt; Jevric, Martyn; Elm, Jonas; Olsen, Stine T.; Tortzen, Christian G.; Kadziola, Anders; Mikkelsen, Kurt V.; Nielsen, Mogens Brøndsted","Azulenium chemistry: towards new derivatives of photochromic dihydroazulenes.","Organic & biomolecular chemistry","2016","14","8","2403","2412","10.1039/c5ob02523k","","","0.71073","MoKα","","0.0612","0.0402","","","0.1126","0.1301","","","","","","0.941","","","","has coordinates","177918","2020-10-21","18:00:00",""
"7154912","12.438","0.007","11.805","0.007","8.68","0.004","90","","105.022","0.011","90","","1230.9","1.2","100","","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Ethyl-a-hydroxy(quinoline-2-yl)propanoate","","- C14 H15 N O3 -","- C14 H15 N O3 -","- C56 H60 N4 O12 -","4","1","","Kumar, Rakesh; Kumar, Inder; Sharma, Ritika; Sharma, Upendra","Catalyst and solvent-free alkylation of quinoline N-oxides with olefins: A direct access to quinoline-substituted α-hydroxy carboxylic derivatives.","Organic & biomolecular chemistry","2016","14","9","2613","2617","10.1039/c5ob02600h","","","1.5419","CuKα","","","0.0496","","","","0.1532","","","","","","1.134","","","","has coordinates","177931","2020-10-21","18:00:00",""
"7154913","7.1213","0.0003","8.9288","0.0003","29.9909","0.0012","90","","90","","90","","1906.96","0.13","105","","105","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C19.35 H24.7 N2 O8 -","- C19.35 H24.7 N2 O8 -","- C77.4 H98.8 N8 O32 -","4","1","","Giacometti, Robert D.; Salinas, Juan C.; Østergaard, Michael E; Swayze, Eric E.; Seth, Punit P.; Hanessian, Stephen","Design, synthesis, and duplex-stabilizing properties of conformationally constrained tricyclic analogues of LNA.","Organic & biomolecular chemistry","2016","14","6","2034","2040","10.1039/c5ob02576a","","x-ray","1.34139","GaKα","","0.0436","0.0422","","","0.1084","0.1096","","","","","","1.096","","","","has coordinates,has disorder","176170","2020-10-21","18:00:00",""
"7154914","14.2003","0.0003","7.6452","0.0002","17.2049","0.0004","90","","113.49","0.001","90","","1713.05","0.07","100.15","","100.15","","","","","","","","Synthesized by the authors. See text.","4","P 1 21 1","P 2yb","4","","","","- C40 H35 N3 O10 -","- C40 H35 N3 O10 -","- C80 H70 N6 O20 -","2","1","","Giacometti, Robert D.; Salinas, Juan C.; Østergaard, Michael E; Swayze, Eric E.; Seth, Punit P.; Hanessian, Stephen","Design, synthesis, and duplex-stabilizing properties of conformationally constrained tricyclic analogues of LNA.","Organic & biomolecular chemistry","2016","14","6","2034","2040","10.1039/c5ob02576a","","x-ray","1.54178","CuKα","","0.0693","0.0555","","","0.1381","0.1437","","","","","","0.974","","","","has coordinates,has disorder","176170","2020-10-21","18:00:00",""
"7154915","8.8629","0.001","9.1256","0.001","10.0677","0.0011","64.158","0.002","68.43","0.002","81.687","0.002","681.4","0.13","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C15 H13 Cl N2 S -","- C15 H13 Cl N2 S -","- C30 H26 Cl2 N4 S2 -","2","1","","Ravi, Chitrakar; Chandra Mohan, Darapaneni; Adimurthy, Subbarayappa","Dual role of p-tosylchloride: copper-catalyzed sulfenylation and metal free methylthiolation of imidazo[1,2-a]pyridines.","Organic & biomolecular chemistry","2016","14","7","2282","2290","10.1039/c5ob02475g","","","0.71073","MoKα","","0.0352","0.0341","","","0.0917","0.0926","","","","","","1.084","","","","has coordinates","177904","2020-10-21","18:00:00",""
"7154916","9.1243","0.0003","11.1741","0.0003","13.3627","0.0005","90","","103.947","0.0013","90","","1322.24","0.08","273","2","273.15","","","","","","","","","4","P 1 21 1","P 2yb","4","","(4bS,4b1S,6R,7S,7aR,12bS)-7-(benzyloxy)-6-((benzyloxy)methyl)-4b1,6,7,7a,12b,13-hexahydro-4bH-benzo[h]chromeno[2,3,4-de]chromene","","- C33 H31 N O4 -","- C33 H31 N O4 -","- C66 H62 N2 O8 -","2","1","","Moshapo, Paseka T.; Sokamisa, Mokela; Mmutlane, Edwin M.; Mampa, Richard M.; Kinfe, Henok H.","A convenient domino Ferrier rearrangement-intramolecular cyclization for the synthesis of novel benzopyran-fused pyranoquinolines.","Organic & biomolecular chemistry","2016","14","24","5627","5638","10.1039/c5ob02536b","","","0.71073","MoKα","","0.0554","0.0404","","","0.0949","0.106","","","","","","1.097","","","","has coordinates","206489","2020-10-21","18:00:00",""
"7154917","5.9198","0.0002","8.4943","0.0004","26.9054","0.0011","90","","90","","90","","1352.93","0.1","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C14 H11 Br O S2 -","- C14 H11 Br O S2 -","- C56 H44 Br4 O4 S8 -","4","1","","Yu, Jin-Sheng; Wu, Wen-Biao; Zhou, Feng","The first catalytic asymmetric thioacetalization by chiral phosphoric acid catalysis.","Organic & biomolecular chemistry","2016","14","7","2205","2209","10.1039/c5ob02495a","","","0.71073","MoKα","","0.0316","0.0266","","","0.0608","0.063","","","","","","1.037","","","","has coordinates","177901","2020-10-21","18:00:00",""
"7154918","11.116","0.003","11.26","0.003","11.711","0.003","63.523","0.015","71.584","0.017","69.128","0.017","1204.2","0.6","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C27 H30 N2 O5 -","- C27 H30 N2 O5 -","- C54 H60 N4 O10 -","2","1","","Mane, Vaijinath; Pandey, Jyoti; Ayyagari, Narasihmam; Dey, Chandan; Kale, Raju; Namboothiri, Irishi N. N.","Synthesis of hydrazinoheterocycles from Morita-Baylis-Hillman adducts of nitroalkenes with azodicarboxylates.","Organic & biomolecular chemistry","2016","14","8","2427","2438","10.1039/c5ob02656c","","","0.71075","MoKα","","0.0527","0.0421","","","0.0969","0.1031","","","","","","1.04","","","","has coordinates","177924","2020-10-21","18:00:00",""
"7154919","9.777","0.005","10.159","0.005","10.306","0.005","102.265","0.007","100.48","0.006","90.508","0.008","982.4","0.8","100","","100","","","","","","","","","4","P -1","-P 1","2","","","","- C16 H27 N3 O6 -","- C16 H27 N3 O6 -","- C32 H54 N6 O12 -","2","1","","Mane, Vaijinath; Pandey, Jyoti; Ayyagari, Narasihmam; Dey, Chandan; Kale, Raju; Namboothiri, Irishi N. N.","Synthesis of hydrazinoheterocycles from Morita-Baylis-Hillman adducts of nitroalkenes with azodicarboxylates.","Organic & biomolecular chemistry","2016","14","8","2427","2438","10.1039/c5ob02656c","","","0.7107","MoKα","","","0.0518","","","","0.167","","","","","","0.733","","","","has coordinates","177924","2020-10-21","18:00:00",""
"7154920","8.0789","0.0005","5.2425","0.0005","31.267","0.002","90","","95.173","0.005","90","","1318.88","0.17","110","2","110","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H10 Br2 F2 -","- C14 H10 Br2 F2 -","- C56 H40 Br8 F8 -","4","1","","Galán, Elena; Perrin, Mickael L.; Lutz, Martin; van der Zant, Herre S. J.; Grozema, Ferdinand C.; Eelkema, Rienk","Synthesis of 1,2-biphenylethane based single-molecule diodes.","Organic & biomolecular chemistry","2016","14","8","2439","2443","10.1039/c6ob00008h","","","0.71073","MoKα","","0.0821","0.0675","","","0.1836","0.194","","","","","","1.18","","","","has coordinates","177917","2020-10-21","18:00:00",""
"7154921","6.4983","0.0017","10.457","0.003","27.274","0.007","90","","90","","90","","1853.3","0.9","200","2","200","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C16 H20 I N O5 -","- C16 H20 I N O5 -","- C64 H80 I4 N4 O20 -","4","1","","Forbes, Christina R.; Pandey, Anil K.; Ganguly, Himal K.; Yap, Glenn P. A.; Zondlo, Neal J.","4R- and 4S-iodophenyl hydroxyproline, 4R-pentynoyl hydroxyproline, and S-propargyl-4-thiolphenylalanine: conformationally biased and tunable amino acids for bioorthogonal reactions.","Organic & biomolecular chemistry","2016","14","7","2327","2346","10.1039/c5ob02473k","","","0.71073","MoKα","","0.0905","0.0454","","","0.0756","0.0924","","","","","","1.017","","","","has coordinates","177902","2020-10-21","18:00:00",""
"7154922","9.834","0.0009","8.999","0.0008","14.7646","0.0014","90","","106.422","0.0014","90","","1253.3","0.2","200","2","200","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C27 H26 I N O6 -","- C27 H26 I N O6 -","- C54 H52 I2 N2 O12 -","2","1","","Forbes, Christina R.; Pandey, Anil K.; Ganguly, Himal K.; Yap, Glenn P. A.; Zondlo, Neal J.","4R- and 4S-iodophenyl hydroxyproline, 4R-pentynoyl hydroxyproline, and S-propargyl-4-thiolphenylalanine: conformationally biased and tunable amino acids for bioorthogonal reactions.","Organic & biomolecular chemistry","2016","14","7","2327","2346","10.1039/c5ob02473k","","","0.71073","MoKα","","0.0352","0.0281","","","0.059","0.0626","","","","","","1.017","","","","has coordinates","177902","2020-10-21","18:00:00",""
"7154923","6.5131","0.0013","16.581","0.003","8.9446","0.0018","90","","95.961","0.003","90","","960.7","0.3","200","2","200","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C17 H22 I N O5 -","- C17 H22 I N O5 -","- C34 H44 I2 N2 O10 -","2","1","","Forbes, Christina R.; Pandey, Anil K.; Ganguly, Himal K.; Yap, Glenn P. A.; Zondlo, Neal J.","4R- and 4S-iodophenyl hydroxyproline, 4R-pentynoyl hydroxyproline, and S-propargyl-4-thiolphenylalanine: conformationally biased and tunable amino acids for bioorthogonal reactions.","Organic & biomolecular chemistry","2016","14","7","2327","2346","10.1039/c5ob02473k","","","0.71073","MoKα","","0.048","0.0374","","","0.0725","0.0765","","","","","","0.964","","","","has coordinates","177902","2020-10-21","18:00:00",""
"7154924","9.9601","0.0008","10.8355","0.0007","23.6278","0.0013","90","","90","","90","","2550","0.3","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C28 H27 N O5 S -","- C28 H27 N O5 S -","- C112 H108 N4 O20 S4 -","4","1","","Li, Ji-Yao; Li, Zhi-Long; Zhao, Wei-Wei; Liu, Yan-Kai; Tong, Zhi-Ping; Tan, Rui","One-pot, highly efficient, asymmetric synthesis of ring-fused piperidine derivatives bearing N,O- or N,N-acetal moieties.","Organic & biomolecular chemistry","2016","14","8","2444","2453","10.1039/c5ob02571k","","","1.54184","CuKα","","0.0585","0.0479","","","0.1291","0.1383","","","","","","1.071","","","","has coordinates","177922","2020-10-21","18:00:00",""
"7154925","10.0985","0.0008","14.8716","0.0011","17.4835","0.0013","90","","90","","90","","2625.7","0.3","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C28 H31 N O5 S -","- C28 H31 N O5 S -","- C112 H124 N4 O20 S4 -","4","1","","Li, Ji-Yao; Li, Zhi-Long; Zhao, Wei-Wei; Liu, Yan-Kai; Tong, Zhi-Ping; Tan, Rui","One-pot, highly efficient, asymmetric synthesis of ring-fused piperidine derivatives bearing N,O- or N,N-acetal moieties.","Organic & biomolecular chemistry","2016","14","8","2444","2453","10.1039/c5ob02571k","","","0.71073","MoKα","","0.0364","0.0333","","","0.089","0.093","","","","","","1.043","","","","has coordinates,has disorder","177922","2020-10-21","18:00:00",""
"7154926","6.3758","0.0002","10.5378","0.0004","23.8709","0.0009","90","","90","","90","","1603.81","0.1","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(1R,2R)-2-(4-phenylpiperidin-1-yl)-1,2-dihydronaphthalen-1-ol","","- C20 H22 N2 O -","- C20 H22 N2 O -","- C80 H88 N8 O4 -","4","1","","Xu, Xin; Chen, Jingchao; He, Zhenxiu; Zhou, Yongyun; Fan, Baomin","Rhodium-catalyzed asymmetric ring opening reaction of oxabenzonorbornadienes with amines using ZnI2 as the activator.","Organic & biomolecular chemistry","2016","14","8","2480","2486","10.1039/c5ob02331a","","","1.54178","CuKα","","0.0537","0.0536","","","0.1553","0.1554","","","","","","1.111","","","","has coordinates","177923","2020-10-21","18:00:00",""
"7154927","10.508","0.0011","35.761","0.004","9.515","0.0016","90","","107.758","0.006","90","","3405.2","0.8","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C20 H20 F Fe N O2 -","- C20 H20 F Fe N O2 -","- C160 H160 F8 Fe8 N8 O16 -","8","2","","Gee, Yi Sing; Goertz, Neils J. M.; Gardiner, Michael G.; Hyland, Christopher J. T.","Oxidative ring-opening of ferrocenylcyclopropylamines to N-ferrocenylmethyl β-hydroxyamides.","Organic & biomolecular chemistry","2016","14","8","2498","2503","10.1039/c5ob02577j","","","0.7108","Synchrotron","","0.077","0.0624","","","0.1389","0.1474","","","","","","1.076","","","","has coordinates","192220","2020-10-21","18:00:00",""
"7154928","15.109","0.003","14.423","0.003","17.631","0.004","90","","106.507","0.003","90","","3683.7","1.4","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","3g","","- C36 H29 Cl2 N O4 S -","- C36 H29 Cl2 N O4 S -","- C144 H116 Cl8 N4 O16 S4 -","4","1","","Shao, Min; Wu, Yunjun; Feng, Zhijun; Gu, Xiaoxia; Wang, Shaoyin","Synthesis of polysubstituted 1,2-dihydroquinolines and indoles via cascade reactions of arylamines and propargylic alcohols catalyzed by FeCl3·6H2O.","Organic & biomolecular chemistry","2016","14","8","2515","2521","10.1039/c5ob02658j","","","0.71073","MoKα","","0.0937","0.0524","","","0.1542","0.1706","","","","","","1.009","","","","has coordinates","177916","2020-10-21","18:00:00",""
"7154929","11.3232","0.0012","12.1598","0.0013","12.2434","0.0013","77.456","0.001","86.223","0.001","69.24","0.001","1538.6","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","5","","- C34 H35 N O4 S -","- C34 H35 N O4 S -","- C68 H70 N2 O8 S2 -","2","1","","Shao, Min; Wu, Yunjun; Feng, Zhijun; Gu, Xiaoxia; Wang, Shaoyin","Synthesis of polysubstituted 1,2-dihydroquinolines and indoles via cascade reactions of arylamines and propargylic alcohols catalyzed by FeCl3·6H2O.","Organic & biomolecular chemistry","2016","14","8","2515","2521","10.1039/c5ob02658j","","","0.71073","MoKα","","0.0934","0.0582","","","0.1578","0.1809","","","","","","1.032","","","","has coordinates","177916","2020-10-21","18:00:00",""
"7154930","23.7576","0.0014","12.0212","0.0007","21.1978","0.0013","90","","107.987","0.001","90","","5758.1","0.6","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","6","","- C34 H33 N O4 S -","- C34 H33 N O4 S -","- C272 H264 N8 O32 S8 -","8","1","","Shao, Min; Wu, Yunjun; Feng, Zhijun; Gu, Xiaoxia; Wang, Shaoyin","Synthesis of polysubstituted 1,2-dihydroquinolines and indoles via cascade reactions of arylamines and propargylic alcohols catalyzed by FeCl3·6H2O.","Organic & biomolecular chemistry","2016","14","8","2515","2521","10.1039/c5ob02658j","","","0.71073","MoKα","","0.0614","0.0417","","","0.1095","0.1233","","","","","","1.022","","","","has coordinates","177916","2020-10-21","18:00:00",""
"7154931","10.4254","0.0008","10.7238","0.0008","15.1044","0.0011","76.055","0.001","80.857","0.001","63.868","0.001","1468.68","0.19","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","7","","- C37 H29 N O5 S -","- C37 H29 N O5 S -","- C74 H58 N2 O10 S2 -","2","1","","Shao, Min; Wu, Yunjun; Feng, Zhijun; Gu, Xiaoxia; Wang, Shaoyin","Synthesis of polysubstituted 1,2-dihydroquinolines and indoles via cascade reactions of arylamines and propargylic alcohols catalyzed by FeCl3·6H2O.","Organic & biomolecular chemistry","2016","14","8","2515","2521","10.1039/c5ob02658j","","","0.71073","MoKα","","0.0789","0.0479","","","0.1335","0.154","","","","","","1.035","","","","has coordinates","177916","2020-10-21","18:00:00",""
"7154932","16.478","0.0012","7.1238","0.0005","17.2258","0.0012","90","","101.934","0.004","90","","1978.4","0.2","120","2","120","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","bodipy","","","- C21 H26 B F2 N3 O -","- C21 H26 B F2 N3 O -","- C84 H104 B4 F8 N12 O4 -","4","1","","Aydın Tekdaş, Duygu; Viswanathan, Geetha; Zehra Topal, Sevinc; Looi, Chung Yeng; Wong, Won Fen; Min Yi Tan, Grace; Zorlu, Yunus; Gürek, Ayşe Gül; Lee, Hong Boon; Dumoulin, Fabienne","Antimicrobial activity of a quaternized BODIPY against Staphylococcus strains.","Organic & biomolecular chemistry","2016","14","9","2665","2670","10.1039/c5ob02477c","","","0.71073","MoKα","","0.07","0.0525","","","0.1449","0.1582","","","","","","1.04","","","","has coordinates","177930","2020-10-21","18:00:00",""
"7154933","8.515","0.0005","9.7941","0.0006","17.2071","0.001","76.58","0.003","76.491","0.003","75.658","0.004","1328.51","0.14","150","2","150","2","","","","","","","","7","P -1","-P 1","2","Bodipy","","","- C23 H29 B Cl2 F2 I N3 -","- C23 H29 B Cl2 F2 I N3 -","- C46 H58 B2 Cl4 F4 I2 N6 -","2","1","","Aydın Tekdaş, Duygu; Viswanathan, Geetha; Zehra Topal, Sevinc; Looi, Chung Yeng; Wong, Won Fen; Min Yi Tan, Grace; Zorlu, Yunus; Gürek, Ayşe Gül; Lee, Hong Boon; Dumoulin, Fabienne","Antimicrobial activity of a quaternized BODIPY against Staphylococcus strains.","Organic & biomolecular chemistry","2016","14","9","2665","2670","10.1039/c5ob02477c","","","0.71073","MoKα","","0.1216","0.0852","","","0.21","0.2288","","","","","","1.091","","","","has coordinates","177930","2020-10-21","18:00:00",""
"7154934","6.8808","0.0005","8.3233","0.0006","30.274","0.002","90","","95.36","0.003","90","","1726.2","0.2","120","2","120","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","Bodipy","","","- C19 H18 B F2 N3 O2 -","- C19 H18 B F2 N3 O2 -","- C76 H72 B4 F8 N12 O8 -","4","1","","Aydın Tekdaş, Duygu; Viswanathan, Geetha; Zehra Topal, Sevinc; Looi, Chung Yeng; Wong, Won Fen; Min Yi Tan, Grace; Zorlu, Yunus; Gürek, Ayşe Gül; Lee, Hong Boon; Dumoulin, Fabienne","Antimicrobial activity of a quaternized BODIPY against Staphylococcus strains.","Organic & biomolecular chemistry","2016","14","9","2665","2670","10.1039/c5ob02477c","","","0.71073","MoKα","","0.0434","0.0405","","","0.1008","0.1023","","","","","","1.133","","","","has coordinates","177930","2020-10-21","18:00:00",""
"7154935","10.721","0.0007","20.3638","0.001","12.6324","0.0009","90","","112.71","0.008","90","","2544.1","0.3","293","2","293","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C42 H56 Cl2 F12 N6 P2 Rh2 -","- C42 H56 Cl2 F12 N6 P2 Rh2 -","- C84 H112 Cl4 F24 N12 P4 Rh4 -","2","0.5","","Zhao, Shixian; Wu, Feifei; Ma, Yuyu; Chen, Wanzhi; Liu, Miaochang; Wu, Huayue","Enhancement of N-heterocyclic carbenes on rhodium catalyzed olefination of triazoles.","Organic & biomolecular chemistry","2016","14","8","2550","2555","10.1039/c5ob02397a","","","0.71073","MoKα","","0.0642","0.0444","","","0.1067","0.1223","","","","","","1.043","","","","has coordinates","177920","2020-10-21","18:00:00",""
"7154936","7.7291","0.0004","15.0891","0.0006","21.358","0.001","90","","90","","90","","2490.9","0.2","293","2","293","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C20 H27 Cl F6 N4 P Rh -","- C20 H27 Cl F6 N4 P Rh -","- C80 H108 Cl4 F24 N16 P4 Rh4 -","4","1","","Zhao, Shixian; Wu, Feifei; Ma, Yuyu; Chen, Wanzhi; Liu, Miaochang; Wu, Huayue","Enhancement of N-heterocyclic carbenes on rhodium catalyzed olefination of triazoles.","Organic & biomolecular chemistry","2016","14","8","2550","2555","10.1039/c5ob02397a","","","0.71073","MoKα","","0.0448","0.0392","","","0.0965","0.1004","","","","","","1.05","","","","has coordinates","177920","2020-10-21","18:00:00",""
"7154937","14.8991","0.0004","15.3359","0.0005","22.4136","0.0009","90","","90","","90","","5121.3","0.3","293","2","293","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C21 H29 Cl F6 N4 P Rh -","- C21 H29 Cl F6 N4 P Rh -","- C168 H232 Cl8 F48 N32 P8 Rh8 -","8","1","","Zhao, Shixian; Wu, Feifei; Ma, Yuyu; Chen, Wanzhi; Liu, Miaochang; Wu, Huayue","Enhancement of N-heterocyclic carbenes on rhodium catalyzed olefination of triazoles.","Organic & biomolecular chemistry","2016","14","8","2550","2555","10.1039/c5ob02397a","","","0.71073","MoKα","","0.0653","0.0477","","","0.118","0.1374","","","","","","1.051","","","","has coordinates","177920","2020-10-21","18:00:00",""
"7154938","5.6624","0.0004","13.0517","0.0009","15.2377","0.0008","90","","100.888","0.004","90","","1105.85","0.12","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C13 H13 N O2 -","- C13 H13 N O2 -","- C52 H52 N4 O8 -","4","1","","Bichovski, Plamen; Haas, Thomas M.; Keller, Manfred; Streuff, Jan","Direct conjugate alkylation of α,β-unsaturated carbonyls by Ti(III)-catalysed reductive umpolung of simple activated alkenes.","Organic & biomolecular chemistry","2016","14","24","5673","5682","10.1039/c5ob02631h","","","0.71073","MoKα","","0.0572","0.0402","","","0.0892","0.0952","","","","","","1.051","","","","has coordinates","183766","2020-10-21","18:00:00",""
"7154939","9.4307","0.0006","17.1837","0.0005","11.8533","0.0006","90","","91.937","0.002","90","","1919.78","0.17","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C25 H22 N2 O -","- C25 H22 N2 O -","- C100 H88 N8 O4 -","4","1","","Bichovski, Plamen; Haas, Thomas M.; Keller, Manfred; Streuff, Jan","Direct conjugate alkylation of α,β-unsaturated carbonyls by Ti(III)-catalysed reductive umpolung of simple activated alkenes.","Organic & biomolecular chemistry","2016","14","24","5673","5682","10.1039/c5ob02631h","","","0.71073","MoKα","","0.1028","0.0454","","","0.0929","0.116","","","","","","0.963","","","","has coordinates","183766","2020-10-21","18:00:00",""
"7154940","10.698","0.0016","12.2896","0.0019","12.851","0.002","86.525","0.003","83.202","0.003","87.556","0.003","1673.5","0.4","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C36 H43 Cl2 N3 Pd -","- C36 H43 Cl2 N3 Pd -","- C72 H86 Cl4 N6 Pd2 -","2","1","","Liu, Feng; Zhu, Yi-Ran; Song, Lu-Gan; Lu, Jian-Mei","Synthesis of N-heterocyclic carbene-PdCl2-(iso)quinoline complexes and their application in arylamination at low catalyst loadings.","Organic & biomolecular chemistry","2016","14","8","2563","2571","10.1039/c6ob00013d","","","0.71073","MoKα","","0.0413","0.0326","","","0.1085","0.13","","","","","","1.069","","","","has coordinates","177921","2020-10-21","18:00:00",""
"7154941","10.9476","0.0007","11.5394","0.0007","12.4589","0.0008","90.289","0.006","110.381","0.008","105.805","0.007","1410.87","0.18","193","2","193","2","","","","","","","","3","P 1","P 1","1","","","","- C35 H30 O11 -","- C35 H30 O11 -","- C70 H60 O22 -","2","2","","Zang, Yi; Genta-Jouve, Grégory; Retailleau, Pascal; Escargueil, Alexandre; Mann, Stéphane; Nay, Bastien; Prado, Soizic","Talaroketals A and B, unusual bis(oxaphenalenone) spiro and fused ketals from the soil fungus Talaromyces stipitatus ATCC 10500.","Organic & biomolecular chemistry","2016","14","9","2691","2697","10.1039/c5ob02657a","","","1.54187","CuKα","","0.1084","0.0813","","","0.2031","0.2384","","","","","","1.031","","","","has coordinates","177927","2020-10-21","18:00:00",""
"7154942","5.348","0.0011","12.242","0.002","17.786","0.004","90","","93.89","0.03","90","","1161.8","0.4","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C15 H14 O2 -","- C15 H14 O2 -","- C60 H56 O8 -","4","1","","Chang, Wenju; Li, Jingfu; Ren, Wenlong; Shi, Yian","Pd-Catalyzed regioselective hydroesterification of 2-allylphenols to seven-membered lactones without external CO gas.","Organic & biomolecular chemistry","2016","14","11","3047","3052","10.1039/c5ob02663f","","","0.71073","MoKα","","0.1251","0.068","","","0.1693","0.2067","","","","","","1.002","","","","has coordinates","181795","2020-10-21","18:00:00",""
"7154943","7.363","0.0015","17.941","0.004","8.568","0.0017","90","","91.5","0.03","90","","1131.4","0.4","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C13 H14 O3 -","- C13 H14 O3 -","- C52 H56 O12 -","4","1","","Chang, Wenju; Li, Jingfu; Ren, Wenlong; Shi, Yian","Pd-Catalyzed regioselective hydroesterification of 2-allylphenols to seven-membered lactones without external CO gas.","Organic & biomolecular chemistry","2016","14","11","3047","3052","10.1039/c5ob02663f","","","0.71073","MoKα","","0.1981","0.0771","","","0.1257","0.1561","","","","","","1.002","","","","has coordinates","181795","2020-10-21","18:00:00",""
"7154944","11.137","0.003","20.633","0.005","8.734","0.002","90","","90","","90","","2007","0.9","296","2","296","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C26 H25 N O2 -","- C26 H25 N O2 -","- C104 H100 N4 O8 -","4","1","","Sarkar, Rajib; Mukhopadhyay, Chhanda","Cross-dehydrogenative regioselective Csp(3)-Csp(2) coupling of enamino-ketones followed by rearrangement: an amazing formation route to acridine-1,8-dione derivatives.","Organic & biomolecular chemistry","2016","14","9","2706","2715","10.1039/c5ob02655e","","","0.71073","MoKα","","0.0853","0.0558","","","0.1346","0.152","","","","","","1.01","","","","has coordinates","177928","2020-10-21","18:00:00",""
"7154945","7.1242","0.0017","16.492","0.004","15.175","0.004","90","","92.53","0.003","90","","1781.2","0.8","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C21 H22 Cl N O2 -","- C21 H22 Cl N O2 -","- C84 H88 Cl4 N4 O8 -","4","1","","Sarkar, Rajib; Mukhopadhyay, Chhanda","Cross-dehydrogenative regioselective Csp(3)-Csp(2) coupling of enamino-ketones followed by rearrangement: an amazing formation route to acridine-1,8-dione derivatives.","Organic & biomolecular chemistry","2016","14","9","2706","2715","10.1039/c5ob02655e","","","0.71073","MoKα","","0.0557","0.0414","","","0.1006","0.1116","","","","","","0.95","","","","has coordinates","177928","2020-10-21","18:00:00",""
"7154946","12.5755","0.0007","16.641","0.001","17.7068","0.001","90","","90","","90","","3705.5","0.4","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C43 H49 N3 O4 -","- C43 H49 N3 O4 -","- C172 H196 N12 O16 -","4","1","","Khanvilkar, Aditya N.; Bedekar, Ashutosh V.","Synthesis and characterization of chiral aza-macrocycles and study of their enantiomer recognition ability for organo-phosphoric acid and phosphonic acid derivatives by (31)P NMR and fluorescence spectroscopy.","Organic & biomolecular chemistry","2016","14","9","2742","2748","10.1039/c5ob02616d","","","0.71073","MoKα","","0.0884","0.0516","","","0.0835","0.0956","","","","","","0.928","","","","has coordinates","177933","2020-10-21","18:00:00",""
"7154947","12.8516","0.0002","13.959","0.0003","21.1978","0.0004","90","","90","","90","","3802.79","0.12","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C43 H49 N3 O4 -","- C43 H49 N3 O4 -","- C172 H196 N12 O16 -","4","1","","Khanvilkar, Aditya N.; Bedekar, Ashutosh V.","Synthesis and characterization of chiral aza-macrocycles and study of their enantiomer recognition ability for organo-phosphoric acid and phosphonic acid derivatives by (31)P NMR and fluorescence spectroscopy.","Organic & biomolecular chemistry","2016","14","9","2742","2748","10.1039/c5ob02616d","","","1.54184","CuKα","","0.0512","0.0458","","","0.1161","0.1215","","","","","","1.0492","","","","has coordinates","177933","2020-10-21","18:00:00",""
"7154948","7.6727","0.0002","8.5813","0.0003","14.3778","0.0006","82.996","0.001","79.762","0.001","67.718","0.002","860.48","0.05","223","2","223","2","","","","","","","","5","P -1","-P 1","2","","","","- C19 H17 N O4 S -","- C19 H17 N O4 S -","- C38 H34 N2 O8 S2 -","2","1","","Ulbrich, Dirk; Daniliuc, Constantin G.; Haufe, Günter","Synthesis of α,ω-polyfluorinated α-amino acid derivatives and δ,δ-difluoronorvaline.","Organic & biomolecular chemistry","2016","14","9","2755","2767","10.1039/c6ob00131a","","","0.71073","MoKα","","0.0588","0.0491","","","0.1013","0.1078","","","","","","1.066","","","","has coordinates","177932","2020-10-21","18:00:00",""
"7154949","13.663","0.0001","7.8244","0.0001","13.7079","0.0001","90","","109.783","0.001","90","","1378.95","0.02","223","2","223","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H12 F3 N O4 -","- C14 H12 F3 N O4 -","- C56 H48 F12 N4 O16 -","4","1","","Ulbrich, Dirk; Daniliuc, Constantin G.; Haufe, Günter","Synthesis of α,ω-polyfluorinated α-amino acid derivatives and δ,δ-difluoronorvaline.","Organic & biomolecular chemistry","2016","14","9","2755","2767","10.1039/c6ob00131a","","","1.54178","CuKα","","0.0519","0.049","","","0.1358","0.1391","","","","","","1.034","","","","has coordinates","177932","2020-10-21","18:00:00",""
"7154950","5.4884","0.0005","11.4294","0.0009","19.5736","0.0016","90","","90","","90","","1227.83","0.18","153","2","153","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C15 H14 O3 S -","- C15 H14 O3 S -","- C60 H56 O12 S4 -","4","1","","Boyd, Derek R.; Sharma, Narain D.; Malone, John F.; Ljubez, Vera; Murphy, Deirdre; Shepherd, Steven D.; Allen, Christopher C. R.","Chemoenzymatic synthesis of enantiopure hydroxy sulfoxides derived from substituted arenes.","Organic & biomolecular chemistry","2016","14","9","2651","2664","10.1039/c5ob02411k","","","0.71073","MoKα","","0.0456","0.0391","","","0.0871","0.0906","","","","","","1.007","","","","has coordinates","177926","2020-10-21","18:00:00",""
"7154951","7.292","0.002","11.75","0.003","14.698","0.004","90","","90","","90","","1259.3","0.6","153","2","153","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C15 H14 O3 S -","- C15 H14 O3 S -","- C60 H56 O12 S4 -","4","1","","Boyd, Derek R.; Sharma, Narain D.; Malone, John F.; Ljubez, Vera; Murphy, Deirdre; Shepherd, Steven D.; Allen, Christopher C. R.","Chemoenzymatic synthesis of enantiopure hydroxy sulfoxides derived from substituted arenes.","Organic & biomolecular chemistry","2016","14","9","2651","2664","10.1039/c5ob02411k","","","0.71073","MoKα","","0.0795","0.0608","","","0.1452","0.1569","","","","","","0.982","","","","has coordinates","177926","2020-10-21","18:00:00",""
"7154952","8.108","0.003","11.284","0.004","24.513","0.008","90","","90","","90","","2242.7","1.4","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C12 H12 O3 S -","- C12 H12 O3 S -","- C96 H96 O24 S8 -","8","2","","Boyd, Derek R.; Sharma, Narain D.; Malone, John F.; Ljubez, Vera; Murphy, Deirdre; Shepherd, Steven D.; Allen, Christopher C. R.","Chemoenzymatic synthesis of enantiopure hydroxy sulfoxides derived from substituted arenes.","Organic & biomolecular chemistry","2016","14","9","2651","2664","10.1039/c5ob02411k","","","0.71073","MoKα","","0.0887","0.0493","","","0.1029","0.1196","","","","","","1.034","","","","has coordinates","177926","2020-10-21","18:00:00",""
"7154953","13.1233","0.0004","14.4337","0.0006","14.5971","0.0005","114.179","0.004","93.853","0.003","114.821","0.004","2191.8","0.2","100.01","0.1","100.01","0.1","","","","","","","","7","P -1","-P 1","2","","","","- C37 H37 F6 N9 O8 S4 Zn -","- C37 H37 F6 N9 O8 S4 Zn -","- C74 H74 F12 N18 O16 S8 Zn2 -","2","1","","Tang, Juan; Xie, Da; Yin, Hao-Yan; Jing, Jing; Zhang, Jun-Long","Cationic sulfonium functionalization renders Znsalens with high fluorescence, good water solubility and tunable cell-permeability.","Organic & biomolecular chemistry","2016","14","13","3360","3368","10.1039/c6ob00249h","","","1.54184","CuKα","","0.0658","0.0613","","","0.1583","0.1629","","","","","","1.034","","","","has coordinates,has disorder","181778","2020-10-21","18:00:00",""
"7154954","12.586","0.006","13.271","0.007","13.663","0.006","115.299","0.007","95.881","0.004","111.985","0.002","1817","1.5","100","2","100","2","","","","","","","","4","P -1","-P 1","2","Perenosin","","","- C16 H17 Cl4 N3 -","- C16 H17 Cl4 N3 -","- C64 H68 Cl16 N12 -","4","2","","Van Rossom, Wim; Asby, Daniel J.; Tavassoli, Ali; Gale, Philip A.","Perenosins: a new class of anion transporter with anti-cancer activity.","Organic & biomolecular chemistry","2016","14","9","2645","2650","10.1039/c6ob00002a","","x-ray","0.71073","MoKα","","0.1176","0.0794","","","0.1633","0.1864","","","","","","1.093","","","","has coordinates","177929","2020-10-21","18:00:00",""
"7154955","5.7205","0.0015","7.824","0.002","9.811","0.003","72.891","0.004","85.142","0.004","74.695","0.004","404.78","0.19","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","","","- C8 H7 N3 O2 -","- C8 H7 N3 O2 -","- C16 H14 N6 O4 -","2","1","","Patel, Shyam Sunder; Chandna, Nisha; Kumar, Shreemoyee; Jain, Nidhi","I2 mediated synthesis of 5-substituted-3-methyl/benzyl-1,3,4-oxadiazol-2(3H)-ones via sequential condensation/oxidative cyclization and rearrangement.","Organic & biomolecular chemistry","2016","14","24","5683","5689","10.1039/c5ob02667a","","","0.71073","MoKα","","0.0745","0.0567","","","0.1481","0.1581","","","","","","1.048","","","","has coordinates","183768","2020-10-21","18:00:00",""
"7154956","14.9522","0.0006","14.9522","0.0006","39.844","0.003","90","","90","","90","","8907.9","0.8","296","2","296","2","","","","","","","","4","I 41/a :2","-I 4ad","88","","","","- C27 H23 N3 O3 -","- C27 H23 N3 O3 -","- C432 H368 N48 O48 -","16","1","","Feng, Bin-Bin; Lu, Lian; Li, Chao; Wang, Xiang-Shan","Iodine-catalyzed synthesis of dibenzo[b,h][1,6]naphthyridine-11-carboxamides via a domino reaction involving double elimination of hydrogen bromide.","Organic & biomolecular chemistry","2016","14","9","2774","2779","10.1039/c5ob02620b","","","0.71073","MoKα","","0.0577","0.0404","","","0.1191","0.1438","","","","","","1.089","","","","has coordinates","177925","2020-10-21","18:00:00",""
"7154957","31.53","0.03","4.779","0.005","12.837","0.011","90","","100.97","0.04","90","","1899","3","100","2","100","2","","","","","","","","4","C 1 2 1","C 2y","5","","JF95","","- C23 H25 N O4 -","- C23 H25 N O4 -","- C92 H100 N4 O16 -","4","1","","Ferreira, Juliana; Duarte, Vera C. M.; Noro, Jennifer; Gil Fortes, António; Alves, Maria J.","Total facial selectivity of a d-erythrosyl aromatic imine in [4π + 2π] cycloadditions; synthesis of 2-alkylpolyol 1,2,3,4-tetrahydroquinolines.","Organic & biomolecular chemistry","2016","14","10","2930","2937","10.1039/c5ob02594j","","x-ray","0.71073","MoKα","","0.1306","0.0801","","","0.1848","0.2182","","","","","","1.024","","","","has coordinates","177909","2020-10-21","18:00:00",""
"7154958","11.3159","0.0016","11.3266","0.0014","12.5248","0.0016","94.687","0.004","112.587","0.004","117.05","0.004","1254.2","0.3","273","2","273.15","","","","","","","","","5","P -1","-P 1","2","","","","- C28 H32 N2 O2 S -","- C28 H32 N2 O2 S -","- C56 H64 N4 O4 S2 -","2","1","","Yang, Li-Fang; Liu, Cheng-Guo; Xu, Xiao-Ping; Ji, Shun-Jun","Sulfuration of the C(sp(2))-H bond of enaminones: a protocol for the synthesis of thioether using elemental sulfur as a sulfurating reagent.","Organic & biomolecular chemistry","2016","14","10","2993","2999","10.1039/c5ob02619a","","","0.71073","Mokα","","0.0998","0.0932","","","0.2845","0.2879","","","","","","1.115","","","","has coordinates","177907","2020-10-21","18:00:00",""
"7154959","7.7056","0.0004","10.9002","0.0004","11.0359","0.0004","65.488","0.003","72.568","0.003","72.725","0.003","788.58","0.06","295","2","295","2","","","","","","","","4","P -1","-P 1","2","","2-(3,4,5-trimethoxyphenyl)-2-(3,5-dimethylpyrazol-4-yl)ethanol","","- C16 H21 N O5 -","- C16 H21 N O5 -","- C32 H42 N2 O10 -","2","1","","Chagarovskiy, Alexey O.; Budynina, Ekaterina M.; Ivanova, Olga A.; Rybakov, Victor B.; Trushkov, Igor V.; Melnikov, Mikhail Ya","Simple assembly of polysubstituted pyrazoles and isoxazoles via ring closure-ring opening domino reaction of 3-acyl-4,5-dihydrofurans with hydrazines and hydroxylamine.","Organic & biomolecular chemistry","2016","14","10","2905","2915","10.1039/c5ob02596f","","","1.54186","CuKα","","0.0589","0.0526","","","0.1207","0.1249","","","","","","0.96","","","","has coordinates","177911","2020-10-21","18:00:00",""
"7154960","14.7796","0.0008","31.6279","0.0017","11.1541","0.0005","90","","91.878","0.003","90","","5211.2","0.5","100","0.5","100","0.5","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C56.95 H54.95 Cl5.85 Cu N6 -","- C56 H54 Cl3 Cu N6 -","- C224 H216 Cl12 Cu4 N24 -","4","1","","Berionni Berna, Beatrice; Nardis, Sara; Mandoj, Federica; Fronczek, Frank R.; Smith, Kevin M.; Paolesse, Roberto","Extending the corrole ring conjugation: preparation of β,β'-fused 2,3-[1',2'-b]pyrazinocorroles.","Organic & biomolecular chemistry","2016","14","10","2891","2897","10.1039/c5ob02572a","","","1.54184","CuKα","","0.1215","0.0948","","","0.2453","0.2624","","","","","","1.025","","","","has coordinates,has disorder","177912","2020-10-21","18:00:00",""
"7154961","21.9885","0.0017","23.74","0.002","23.7797","0.0018","105.241","0.005","95.294","0.005","106.089","0.005","11323.5","1.6","100","0.5","100","0.5","","","","","","","","5","P -1","-P 1","2","","","","- C61.5 H59.5 Cl1.5 Cu N8 -","- C61.5 H59.5 Cl1.5 Cu N8 -","- C492 H476 Cl12 Cu8 N64 -","8","4","","Berionni Berna, Beatrice; Nardis, Sara; Mandoj, Federica; Fronczek, Frank R.; Smith, Kevin M.; Paolesse, Roberto","Extending the corrole ring conjugation: preparation of β,β'-fused 2,3-[1',2'-b]pyrazinocorroles.","Organic & biomolecular chemistry","2016","14","10","2891","2897","10.1039/c5ob02572a","","","1.54184","CuKα","","0.1604","0.1213","","","0.3105","0.3412","","","","","","1.016","","","","has coordinates,has disorder","177912","2020-10-21","18:00:00",""
"7154962","12.7135","0.0005","15.8594","0.0006","15.8605","0.0006","115.779","0.002","95.558","0.002","104.159","0.002","2715.49","0.19","90","0.5","90","0.5","","","","","","","","6","P -1","-P 1","2","","","","- C65.39 H59.56 Cl3 Cu N6 O1.39 -","- C64 H54 Cl3 Cu N6 -","- C128 H108 Cl6 Cu2 N12 -","2","1","","Berionni Berna, Beatrice; Nardis, Sara; Mandoj, Federica; Fronczek, Frank R.; Smith, Kevin M.; Paolesse, Roberto","Extending the corrole ring conjugation: preparation of β,β'-fused 2,3-[1',2'-b]pyrazinocorroles.","Organic & biomolecular chemistry","2016","14","10","2891","2897","10.1039/c5ob02572a","","","0.71073","MoKα","","0.0823","0.0577","","","0.157","0.1682","","","","","","1.083","","","","has coordinates,has disorder","177912","2020-10-21","18:00:00",""
"7154963","15.37545","0.00018","14.15367","0.00014","19.476","0.0002","90","","91.4952","0.001","90","","4236.91","0.08","100","0.1","100","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C37 H26 Br4 Cl8 N2 Sb -","- C37 H26 Br4 Cl8 N2 Sb -","- C148 H104 Br16 Cl32 N8 Sb4 -","4","1","","Talipov, Marat R.; Hossain, Mohammad M.; Boddeda, Anitha; Thakur, Khushabu; Rathore, Rajendra","A search for blues brothers: X-ray crystallographic/spectroscopic characterization of the tetraarylbenzidine cation radical as a product of aging of solid magic blue.","Organic & biomolecular chemistry","2016","14","10","2961","2968","10.1039/c6ob00140h","","x-ray","1.54184","CuKα","","0.031","0.0266","","","0.0628","0.0659","","","","","","1.023","","","","has coordinates","177913","2020-10-21","18:00:00",""
"7154964","10.1188","0.0002","13.8839","0.0003","16.4081","0.0005","107.983","0.002","106.75","0.002","96.924","0.002","2043.2","0.1","100","0.1","100","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C36 H22 Br6 N2 -","- C36 H22 Br6 N2 -","- C72 H44 Br12 N4 -","2","1","","Talipov, Marat R.; Hossain, Mohammad M.; Boddeda, Anitha; Thakur, Khushabu; Rathore, Rajendra","A search for blues brothers: X-ray crystallographic/spectroscopic characterization of the tetraarylbenzidine cation radical as a product of aging of solid magic blue.","Organic & biomolecular chemistry","2016","14","10","2961","2968","10.1039/c6ob00140h","","x-ray","1.54184","CuKα","","0.0371","0.0334","","","0.0931","0.0955","","","","","","1.052","","","","has coordinates","177913","2020-10-21","18:00:00",""
"7154965","15.3203","0.0002","15.5925","0.0002","19.8315","0.0003","87.2838","0.0012","81.2554","0.0013","82.7604","0.0012","4643.06","0.11","100","0.1","100","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C36 H24 Br4 N2 -","- C36 H24 Br4 N2 -","- C216 H144 Br24 N12 -","6","3","","Talipov, Marat R.; Hossain, Mohammad M.; Boddeda, Anitha; Thakur, Khushabu; Rathore, Rajendra","A search for blues brothers: X-ray crystallographic/spectroscopic characterization of the tetraarylbenzidine cation radical as a product of aging of solid magic blue.","Organic & biomolecular chemistry","2016","14","10","2961","2968","10.1039/c6ob00140h","","x-ray","1.54184","CuKα","","0.0425","0.0369","","","0.0957","0.1009","","","","","","1.014","","","","has coordinates","177913","2020-10-21","18:00:00",""
"7154966","19.3483","0.0006","19.3483","0.0006","6.2252","0.0003","90","","90","","120","","2018.22","0.13","173","2","173","2","","","","","","","","3","R -3 :H","-R 3","148","","","","- C35 H23 N -","- C35.04 H23.04 N0.96 -","- C105.12 H69.12 N2.88 -","3","0.166667","","Van Raden, J. M.; Darzi, E. R.; Zakharov, L. N.; Jasti, R.","Synthesis and characterization of a highly strained donor-acceptor nanohoop.","Organic & biomolecular chemistry","2016","14","24","5721","5727","10.1039/c6ob00133e","","","1.54178","CuKα","","0.0562","0.0422","","","0.0967","0.1013","","","","","","1.075","","","","has coordinates","183765","2020-10-21","18:00:00",""
"7154967","8.1218","0.0009","11.2172","0.0012","11.2671","0.0012","79.387","0.001","79.478","0.001","84.213","0.001","989.55","0.19","223","2","223","2","","","","","","","","6","P -1","-P 1","2","","","","- C34 H48 F12 N4 O6 P2 -","- C34 H48 F12 N4 O6 P2 -","- C34 H48 F12 N4 O6 P2 -","1","0.5","","Olson, M. A.; Messina, M. S.; Thompson, J. R.; Dawson, T. J.; Goldner, A. N.; Gaspar, D. K.; Vazquez, M.; Lehrman, J. A.; Sue, A. C.-H.","Reversible morphological changes of assembled supramolecular amphiphiles triggered by pH-modulated host-guest interactions.","Organic & biomolecular chemistry","2016","14","24","5714","5720","10.1039/c6ob00109b","","","0.71073","MoKα","","0.0618","0.0547","","","0.1418","0.1489","","","","","","1.028","","","","has coordinates,has disorder","183764","2020-10-21","18:00:00",""
"7154968","9.7463","0.0005","11.9704","0.0005","24.3772","0.0013","90","","90","","90","","2844","0.2","200","2","200","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C29 H35 F N2 O5 -","- C29 H35 F N2 O5 -","- C116 H140 F4 N8 O20 -","4","1","","Marques, A.-S.; Giardinetti, M.; Marrot, J.; Coeffard, V.; Moreau, X.; Greck, C.","Construction of enantioenriched polysubstituted hexahydropyridazines via a sequential multicatalytic process merging palladium catalysis and aminocatalysis.","Organic & biomolecular chemistry","2016","14","10","2828","2832","10.1039/c5ob02437d","","","0.71073","MoKα","","0.0534","0.041","","","0.1127","0.1272","","","","","","1.162","","","","has coordinates","177908","2020-10-21","18:00:00",""
"7154969","9.0241","0.0004","9.7102","0.0004","12.2998","0.0005","84.499","0.002","84.789","0.002","74.1251","0.0016","1029.55","0.08","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","Iminoquinone","","- C26 H18 N2 O3 -","- C26 H18 N2 O3 -","- C52 H36 N4 O6 -","2","1","","Chandrasekar, Selvaraj; Sekar, Govidasamy","An efficient synthesis of iminoquinones by a chemoselective domino ortho-hydroxylation/oxidation/imidation sequence of 2-aminoaryl ketones.","Organic & biomolecular chemistry","2016","14","11","3053","3060","10.1039/c5ob02659h","","","0.71073","MoKα","","0.0807","0.0434","","","0.1015","0.1219","","","","","","1.015","","","","has coordinates","181794","2020-10-21","18:00:00",""
"7154970","7.9893","0.0003","8.2086","0.0003","11.504","0.0004","106.669","0.0018","104.715","0.0017","96.4618","0.0019","684.9","0.04","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C16 H14 N2 O3 -","- C16 H14 N2 O3 -","- C32 H28 N4 O6 -","2","1","","Chandrasekar, Selvaraj; Sekar, Govidasamy","An efficient synthesis of iminoquinones by a chemoselective domino ortho-hydroxylation/oxidation/imidation sequence of 2-aminoaryl ketones.","Organic & biomolecular chemistry","2016","14","11","3053","3060","10.1039/c5ob02659h","","","0.71073","MoKα","","0.0487","0.0384","","","0.0956","0.1038","","","","","","1.028","","","","has coordinates","181794","2020-10-21","18:00:00",""
"7154971","8.0468","0.0007","12.1197","0.001","7.5388","0.0007","90","","91.03","","90","","735.1","0.11","293","2","293","2","","","","","","","","5","P 1 c 1","P -2yc","7","","","","- C16 H10 Br2 N2 O -","- C16 H10 Br2 N2 O -","- C32 H20 Br4 N4 O2 -","2","1","","Xu, Jun; Zhu, Xiaolei; Zhou, Guobin; Ying, Beibei; Ye, Pingping; Su, Lingying; Shen, Chao; Zhang, Pengfei","Copper(ii)-catalyzed C5 and C7 halogenation of quinolines using sodium halides under mild conditions.","Organic & biomolecular chemistry","2016","14","11","3016","3021","10.1039/c6ob00169f","","","0.71073","MoKα","","0.0607","0.0595","","","0.1538","0.1553","","","","","","1.022","","","","has coordinates,has disorder","181792","2020-10-21","18:00:00",""
"7154972","28.1542","0.0016","8.5012","0.0005","17.4613","0.001","90","","122.609","0.001","90","","3520.5","0.4","294","2","294","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C23 H22 O2 -","- C23 H22 O2 -","- C184 H176 O16 -","8","1","","Subba Reddy, B. V.; Hanuman Reddy, V.; Medaboina, Durgaprasad; Sridhar, B.; Rami Reddy, Y. V.","A tandem Prins spirocyclization for the stereoselective synthesis of tetrahydrospiro[chroman-2,4'-pyran] derivatives.","Organic & biomolecular chemistry","2016","14","12","3234","3237","10.1039/c5ob02639c","","","0.71073","MoKα","","0.0577","0.0471","","","0.1251","0.1348","","","","","","1.04","","","","has coordinates","181783","2020-10-21","18:00:00",""
"7154973","8.3369","0.0004","20.8048","0.001","8.5721","0.0004","90","","112.222","0.003","90","","1376.38","0.12","100","2","100","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C27 H30 Br2 N2 O5 Pd S -","- C27 H30 Br2 N2 O5 Pd S -","- C54 H60 Br4 N4 O10 Pd2 S2 -","2","1","","Yasomanee, Jagodige P.; Parameswar, Archana R.; Pornsuriyasak, Papapida; Rath, Nigam P.; Demchenko, Alexei V.","2,3-Di-O-picolinyl building blocks as glycosyl donors with switchable stereoselectivity.","Organic & biomolecular chemistry","2016","14","11","3159","3169","10.1039/c6ob00107f","","","0.71073","MoKα","","0.0308","0.0262","","","0.0574","0.0592","","","","","","1.025","","","","has coordinates,has disorder","181790","2020-10-21","18:00:00",""
"7154974","18.5248","0.0015","15.2275","0.0012","18.9615","0.0016","90","","94.102","0.004","90","","5335.1","0.8","123","","123","","","","","","","","Pascal Schmidt","5","C 1 2/c 1","-C 2yc","15","","","","- C14 H14 B N O3 -","- C14 H14 B N O3 -","- C224 H224 B16 N16 O48 -","16","2","","Stress, Cedric J.; Schmidt, Pascal J.; Gillingham, Dennis G.","Comparison of boron-assisted oxime and hydrazone formations leads to the discovery of a fluorogenic variant.","Organic & biomolecular chemistry","2016","14","24","5529","5533","10.1039/c6ob00168h","","","1.54178","CuKα","","0.0402","0.0386","","0.0884","0.088","0.0884","","","","","","0.8971","","","","has coordinates","183769","2020-10-21","18:00:00",""
"7154975","9.71","0.003","19.2","0.005","22.065","0.006","90","","97.104","0.004","90","","4082","2","173.15","","173.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","(E)-2,3-diphenyl-N-tosylbut-2-enamide","","- C23 H21 N O3 S -","- C23 H21 N O3 S -","- C184 H168 N8 O24 S8 -","8","2","","Hu, Yuanyuan; Zhou, Bingwei; Wang, Congyang","Copper-catalyzed three-component cascade reaction of alkynes, sulfonyl azides and simple aldehydes/ketones.","Organic & biomolecular chemistry","2016","14","11","3022","3026","10.1039/c6ob00146g","","","0.71073","MoKα","","0.1116","0.087","","","0.1337","0.1429","","","","","","1.197","","","","has coordinates","181796","2020-10-21","18:00:00",""
"7154976","9.3077","0.0019","11.58","0.002","11.683","0.002","116.41","0.03","100.5","0.03","90.85","0.03","1102.3","0.5","298.15","","298.15","","","","","","","","","5","P -1","-P 1","2","","(E)-2-(naphthalen-2-yl)-N-tosylhept-2-enamide","","- C24 H25 N O3 S -","- C24 H25 N O3 S -","- C48 H50 N2 O6 S2 -","2","1","","Hu, Yuanyuan; Zhou, Bingwei; Wang, Congyang","Copper-catalyzed three-component cascade reaction of alkynes, sulfonyl azides and simple aldehydes/ketones.","Organic & biomolecular chemistry","2016","14","11","3022","3026","10.1039/c6ob00146g","","","0.71073","MoKα","","0.0809","0.0627","","","0.1408","0.152","","","","","","1.129","","","","has coordinates","181796","2020-10-21","18:00:00",""
"7154977","9.5857","0.0004","10.48","0.0005","16.9107","0.0008","90","","100.401","0.0012","90","","1670.9","0.13","100","2","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(2R,3R)-dimethyl 2-cyano-3-phenyl-2-(pyridin-4-yl)cyclopropane-1,1-dicarboxylate","","- C19 H16 N2 O4 -","- C19 H16 N2 O4 -","- C76 H64 N8 O16 -","4","1","","Del Fiandra, Claudia; Moccia, Maria; Adamo, Mauro F. A.","Enantioselective cyclopropanation of (Z)-3-substituted-2-(4-pyridyl)-acrylonitriles catalyzed by Cinchona ammonium salts.","Organic & biomolecular chemistry","2016","14","11","3105","3111","10.1039/c6ob00154h","","","0.71073","MoKα","","0.0365","0.0327","","","0.092","0.0961","","","","","","1.051","","","","has coordinates","181791","2020-10-21","18:00:00",""
"7154978","14.19","0.03","16.5","0.03","7.736","0.015","90","","101.18","0.03","90","","1777","6","298","2","298","2","","","","","","","","4","C 1 c 1","C -2yc","9","","2-(2-hydroxy-2-phenylcyclohexyloxy)isoindoline-1,3-dione","","- C20 H19 N O4 -","- C20 H19 N O4 -","- C80 H76 N4 O16 -","4","1","","Bag, Raghunath; Sar, Dinabandhu; Punniyamurthy, Tharmalingam","Iron(iii)-catalyzed aerobic dioxygenation of styrenes using N-hydroxyphthalimide and N-hydroxybenzotriazole.","Organic & biomolecular chemistry","2016","14","12","3246","3255","10.1039/c6ob00210b","","","0.71073","MoKα","","0.0642","0.0449","","","0.1044","0.1269","","","","","","1.045","","","","has coordinates","181787","2020-10-21","18:00:00",""
"7154979","9.0807","0.0003","9.0807","0.0003","33.7042","0.0011","90","","90","","120","","2406.87","0.14","100","2","100","2","","","","","","","","4","P 61","P 61","169","","3 R ,4 R )-Methyl 1-oxo-3-phenyl-3-(trifluoromethyl)isochrom an-4-carboxylate","","- C18 H13 F3 O4 -","- C18 H13 F3 O4 -","- C108 H78 F18 O24 -","6","1","","Cornaggia, Claudio; Gundala, Sivaji; Manoni, Francesco; Gopalasetty, Nagaraju; Connon, Stephen J.","Catalytic formal cycloadditions between anhydrides and ketones: excellent enantio and diastereocontrol, controllable decarboxylation and the formation of adjacent quaternary stereocentres.","Organic & biomolecular chemistry","2016","14","11","3040","3046","10.1039/c6ob00089d","","","1.54178","CuKα","","0.0228","0.0228","","","0.0674","0.0674","","","","","","1.463","","","","has coordinates","181789","2020-10-21","18:00:00",""
"7154980","8.5357","0.0003","12.3308","0.0004","14.9954","0.0005","90","","90","","90","","1578.3","0.09","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","3 S ,4 R )-3-(Ethoxycarbonyl)-1-oxo-3-(thiophen-2-yl)isochro mane-4-carboxylic acid","","- C17 H14 O6 S -","- C17 H14 O6 S -","- C68 H56 O24 S4 -","4","1","","Cornaggia, Claudio; Gundala, Sivaji; Manoni, Francesco; Gopalasetty, Nagaraju; Connon, Stephen J.","Catalytic formal cycloadditions between anhydrides and ketones: excellent enantio and diastereocontrol, controllable decarboxylation and the formation of adjacent quaternary stereocentres.","Organic & biomolecular chemistry","2016","14","11","3040","3046","10.1039/c6ob00089d","","","1.54178","CuKα","","0.056","0.055","","","0.1582","0.1591","","","","","","1.12","","","","has coordinates","206489","2020-10-21","18:00:00",""
"7154981","8.2334","0.0004","12.873","0.0006","11.1784","0.0005","90","","107.114","0.002","90","","1132.32","0.09","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","(2 R ,3 S )-Methyl 1'-benzyl-3-(4-nitrophenyl)-2',5-dioxo-4,5 -dihydro-3H-spiro[furan-2,3'- indoline]-3-carboxylate","","- C26 H20 N2 O7 -","- C26 H20 N2 O7 -","- C52 H40 N4 O14 -","2","1","","Cornaggia, Claudio; Gundala, Sivaji; Manoni, Francesco; Gopalasetty, Nagaraju; Connon, Stephen J.","Catalytic formal cycloadditions between anhydrides and ketones: excellent enantio and diastereocontrol, controllable decarboxylation and the formation of adjacent quaternary stereocentres.","Organic & biomolecular chemistry","2016","14","11","3040","3046","10.1039/c6ob00089d","","","1.54178","CuKα","","0.0544","0.0376","","","0.0644","0.0653","","","","","","1.899","","","","has coordinates","181789","2020-10-21","18:00:00",""
"7154982","11.1283","0.0003","29.5193","0.0007","7.79325","0.00019","90","","108.307","0.0017","90","","2430.51","0.11","93","","93","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","rocaglamide 23c","","- C25 H21 Br O8 S -","- C25 H21 Br O8 S -","- C100 H84 Br4 O32 S4 -","4","1","","Arai, Midori A.; Kofuji, Yuuki; Tanaka, Yuuki; Yanase, Natsuki; Yamaku, Kazuki; Fuentes, Rolly G.; Karmakar, Utpal Kumar; Ishibashi, Masami","Synthesis of rocaglamide derivatives and evaluation of their Wnt signal inhibitory activities.","Organic & biomolecular chemistry","2016","14","11","3061","3068","10.1039/c5ob02537k","","","1.54187","CuKα","","","0.121","","","","0.3993","","","","","","1.014","","","","has coordinates","181793","2020-10-21","18:00:00",""
"7154983","9.8131","0.0003","20.4457","0.0005","21.4","0.0006","90","","90","","90","","4293.6","0.2","173","","173","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","rocaglamide 22a","","- C25 H24 O7 S -","- C25 H24 O7 S -","- C200 H192 O56 S8 -","8","1","","Arai, Midori A.; Kofuji, Yuuki; Tanaka, Yuuki; Yanase, Natsuki; Yamaku, Kazuki; Fuentes, Rolly G.; Karmakar, Utpal Kumar; Ishibashi, Masami","Synthesis of rocaglamide derivatives and evaluation of their Wnt signal inhibitory activities.","Organic & biomolecular chemistry","2016","14","11","3061","3068","10.1039/c5ob02537k","","","1.54178","CuKα","","0.0404","0.0374","","","0.0999","0.103","","","","","","1.035","","","","has coordinates","181793","2020-10-21","18:00:00",""
"7154984","9.7833","0.0003","10.5843","0.0004","14.6153","0.0005","74.063","0.002","80.51","0.002","63.2837","0.0018","1298.37","0.08","93","","93","","","","","","","","","5","P -1","-P 1","2","","","","- C25 H22 Br Cl3 O8 -","- C25 H22 Br Cl3 O8 -","- C50 H44 Br2 Cl6 O16 -","2","1","","Arai, Midori A.; Kofuji, Yuuki; Tanaka, Yuuki; Yanase, Natsuki; Yamaku, Kazuki; Fuentes, Rolly G.; Karmakar, Utpal Kumar; Ishibashi, Masami","Synthesis of rocaglamide derivatives and evaluation of their Wnt signal inhibitory activities.","Organic & biomolecular chemistry","2016","14","11","3061","3068","10.1039/c5ob02537k","","","1.54187","CuKα","","","0.0547","","","","0.149","","","","","","1.137","","","","has coordinates","181793","2020-10-21","18:00:00",""
"7154985","5.9219","0.0003","7.4968","0.0003","31.318","0.0019","94.271","0.004","91.188","0.004","90.053","0.003","1386.21","0.12","110","2","110","2","","","","","","","","4","P -1","-P 1","2","","","","- C19 H16 B N -","- C19 H16 B N -","- C76 H64 B4 N4 -","4","2","","van de Wouw, H. L.; Lee, J. Y.; Siegler, M. A.; Klausen, R. S.","Innocent BN bond substitution in anthracene derivatives.","Organic & biomolecular chemistry","2016","14","12","3256","3263","10.1039/c5ob02309b","","","1.54178","CuKα","","0.0917","0.0729","","","0.2349","0.2466","","","","","","1.098","","","","has coordinates","181782","2020-10-21","18:00:00",""
"7154986","7.5827","0.0003","5.8864","0.0003","14.3622","0.0007","90","","93.408","0.004","90","","639.92","0.05","110","2","110","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C18 H14 B N -","- C18 H14 B N -","- C36 H28 B2 N2 -","2","1","","van de Wouw, H. L.; Lee, J. Y.; Siegler, M. A.; Klausen, R. S.","Innocent BN bond substitution in anthracene derivatives.","Organic & biomolecular chemistry","2016","14","12","3256","3263","10.1039/c5ob02309b","","","1.54178","CuKα","","0.0355","0.0343","","","0.0941","0.0957","","","","","","1.045","","","","has coordinates,has disorder","181782","2020-10-21","18:00:00",""
"7154987","7.5086","0.0003","5.9024","0.0003","29.5225","0.0017","90","","93.266","0.005","90","","1306.28","0.11","110","2","110","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H13 B F N -","- C18 H13 B F N -","- C72 H52 B4 F4 N4 -","4","1","","van de Wouw, H. L.; Lee, J. Y.; Siegler, M. A.; Klausen, R. S.","Innocent BN bond substitution in anthracene derivatives.","Organic & biomolecular chemistry","2016","14","12","3256","3263","10.1039/c5ob02309b","","","1.54178","CuKα","","0.0553","0.0503","","","0.1386","0.1428","","","","","","1.056","","","","has coordinates,has disorder","181782","2020-10-21","18:00:00",""
"7154988","7.54619","0.00013","5.86945","0.00011","32.5219","0.0005","90","","94.2129","0.0015","90","","1436.57","0.04","110","2","110","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C19 H13 B F3 N -","- C19 H13 B F3 N -","- C76 H52 B4 F12 N4 -","4","1","","van de Wouw, H. L.; Lee, J. Y.; Siegler, M. A.; Klausen, R. S.","Innocent BN bond substitution in anthracene derivatives.","Organic & biomolecular chemistry","2016","14","12","3256","3263","10.1039/c5ob02309b","","","1.54178","CuKα","","0.0428","0.0388","","","0.1053","0.1089","","","","","","1.056","","","","has coordinates,has disorder","181782","2020-10-21","18:00:00",""
"7154989","7.44538","0.00009","7.11221","0.00008","15.95865","0.00019","90","","94.8062","0.0011","90","","842.089","0.017","110","2","110","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C21 H20 B N -","- C21 H20 B N -","- C42 H40 B2 N2 -","2","1","","van de Wouw, H. L.; Lee, J. Y.; Siegler, M. A.; Klausen, R. S.","Innocent BN bond substitution in anthracene derivatives.","Organic & biomolecular chemistry","2016","14","12","3256","3263","10.1039/c5ob02309b","","","1.54178","CuKα","","0.0303","0.0296","","","0.0805","0.0811","","","","","","1.042","","","","has coordinates","181782","2020-10-21","18:00:00",""
"7154990","7.5423","0.0002","5.9013","0.0002","28.5913","0.0009","90","","94.099","0.003","90","","1269.33","0.07","110","2","110","2","","","","","","","","2","P 1 21/n 1","-P 2yn","14","","","","- C20 H14 -","- C20 H14 -","- C80 H56 -","4","1","","van de Wouw, H. L.; Lee, J. Y.; Siegler, M. A.; Klausen, R. S.","Innocent BN bond substitution in anthracene derivatives.","Organic & biomolecular chemistry","2016","14","12","3256","3263","10.1039/c5ob02309b","","","1.54178","CuKα","","0.0653","0.0616","","","0.1499","0.1518","","","","","","1.16","","","","has coordinates,has disorder","181782","2020-10-21","18:00:00",""
"7154991","10.2816","0.0003","10.436","0.0003","15.0467","0.0005","90","","90","","90","","1614.49","0.09","100","0.1","100","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(S)-1-((4-Hydroxyphenyl)(thiophen-3-yl)methyl)naphthalen-2-ol","","- C21 H16 O2 S -","- C21 H16 O2 S -","- C84 H64 O8 S4 -","4","1","","Wong, Yuk Fai; Wang, Zhaobin; Sun, Jianwei","Chiral phosphoric acid catalyzed asymmetric addition of naphthols to para-quinone methides.","Organic & biomolecular chemistry","2016","14","24","5751","5754","10.1039/c6ob00125d","","x-ray","1.54184","CuKα","","0.0585","0.057","","","0.1486","0.1503","","","","","","1","","","","has coordinates,has disorder","183758","2020-10-21","18:00:00",""
"7154992","12.2059","0.0008","9.9555","0.0006","16.3557","0.0011","90","","95.472","0.002","90","","1978.4","0.2","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","WYC011632","","- C21 H18 Br F3 O4 -","- C21 H18 Br F3 O4 -","- C84 H72 Br4 F12 O16 -","4","1","","Wong, Ying-Chieh; Yeung, Ying-Yeung","A convenient method for the synthesis of α-carboxylate ester bromolactones via bromolactonization of alkenoic diesters.","Organic & biomolecular chemistry","2016","14","12","3202","3206","10.1039/c6ob00311g","","","0.71073","MoKα","","0.0313","0.0282","","","0.0716","0.0735","","","","","","1.034","","","","has coordinates,has disorder","181784","2020-10-21","18:00:00",""
"7154993","7.5445","0.0007","14.1434","0.0015","14.8389","0.0015","90","","100.417","0.004","90","","1557.3","0.3","298","","298","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","amit","","- C15 H15 I N4 -","- C15 H15 I N4 -","- C60 H60 I4 N16 -","4","1","","Pawar, Amit B.; Lade, Dhanaji M.","Cobalt(iii)-catalyzed C-H halogenation of 6-arylpurines: facile entry into arylated, sulfenylated and alkoxylated 6-arylpurines.","Organic & biomolecular chemistry","2016","14","12","3275","3283","10.1039/c5ob02640g","","x-ray","0.71073","MoKα","","0.0384","0.0354","","","0.0926","0.0943","","","","","","1.065","","","","has coordinates","181785","2020-10-21","18:00:00",""
"7154994","11.7084","0.0004","14.1127","0.0006","15.5928","0.0006","90.096","0.003","95.408","0.003","91.971","0.003","2563.49","0.17","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","(3aS*,5R*,5aR*,8R*,8aR*,8bR*)-5,5a-dihydroxy-2,5-diphenyl-3a,4,5,5a,6,7,8a,8b-octahydro-8-(2',2',2'-trichloromethylcarbonylamino)cyclopent[e]isoindole-1,3(2H,3aH)-dione","","- C26 H27 Cl3 N2 O6 -","- C26 H27 Cl3 N2 O6 -","- C104 H108 Cl12 N8 O24 -","4","2","","Mostafa, Mohamed A. B.; Grafton, Mark W.; Wilson, Claire; Sutherland, Andrew","A one-pot, three-step process for the diastereoselective synthesis of aminobicyclo[4.3.0]nonanes using consecutive palladium(ii)- and ruthenium(ii)-catalysis.","Organic & biomolecular chemistry","2016","14","12","3284","3297","10.1039/c6ob00165c","","x-ray","0.71073","MoKα","","0.0864","0.0539","","","0.1208","0.1355","","","","","","1.013","","","","has coordinates","204136","2020-10-21","18:00:00",""
"7154995","8.2474","0.0005","11.1326","0.0007","18.0136","0.0011","90","","90","","90","","1653.92","0.18","150","1","150","1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C18 H17 N O5 S -","- C18 H17 N O5 S -","- C72 H68 N4 O20 S4 -","4","1","","Luridiana, Alberto; Frongia, Angelo; Aitken, David J.; Guillot, Regis; Sarais, Giorgia; Secci, Francesco","Deracemizing organocatalyzed Michael addition reactions of 2-(arylthio)cyclobutanones with β-nitrostyrenes.","Organic & biomolecular chemistry","2016","14","13","3394","3403","10.1039/c6ob00160b","","x-ray","0.71073","MoKα","","0.0328","0.029","","","0.0776","0.0797","","","","","","1.075","","","","has coordinates","181781","2020-10-21","18:00:00",""
"7154996","12.3871","0.0001","10.734","0.0001","12.8666","0.0001","90","","103.68","","90","","1662.25","0.02","140","2","140","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C20 H24 O3 -","- C20 H24 O3 -","- C80 H96 O12 -","4","2","","Zhao, Sen-Miao; Chou, Gui-Xin; Yang, Qing-Shan; Wang, Wei; Zhou, Jian-Li","Abietane diterpenoids from Caryopteris incana (Thunb.) Miq.","Organic & biomolecular chemistry","2016","14","14","3510","3520","10.1039/c6ob00139d","","","1.54178","CuKα","","0.0375","0.0368","","","0.0991","0.1004","","","","","","0.947","","","","has coordinates","181802","2020-10-21","18:00:00",""
"7154997","9.7007","0.0002","6.2228","0.0001","13.9225","0.0003","90","","101.87","0.001","90","","822.47","0.03","140","2","140","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C19 H26 O4 -","- C19 H26 O4 -","- C38 H52 O8 -","2","1","","Zhao, Sen-Miao; Chou, Gui-Xin; Yang, Qing-Shan; Wang, Wei; Zhou, Jian-Li","Abietane diterpenoids from Caryopteris incana (Thunb.) Miq.","Organic & biomolecular chemistry","2016","14","14","3510","3520","10.1039/c6ob00139d","","","1.54178","CuKα","","0.0851","0.0836","","","0.2171","0.219","","","","","","1.104","","","","has coordinates","181802","2020-10-21","18:00:00",""
"7154998","11.9342","0.0011","12.3874","0.0011","13.3401","0.0013","106.111","0.005","92.693","0.005","95.261","0.006","1881.3","0.3","130","","130","","","","","","","","","3","P 1","P 1","1","","","","- C20 H26 O5 -","- C20 H26 O5 -","- C80 H104 O20 -","4","4","","Zhao, Sen-Miao; Chou, Gui-Xin; Yang, Qing-Shan; Wang, Wei; Zhou, Jian-Li","Abietane diterpenoids from Caryopteris incana (Thunb.) Miq.","Organic & biomolecular chemistry","2016","14","14","3510","3520","10.1039/c6ob00139d","","","1.54178","CuKα","","0.0838","0.0662","","","0.177","0.203","","","","","","1.012","","","","has coordinates","181802","2020-10-21","18:00:00",""
"7154999","8.6713","0.0017","9.4094","0.0019","11.261","0.002","104.56","0.03","93.63","0.03","110.49","0.03","821.4","0.4","153","2","153","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H15 N O3 S2 -","- C16 H15 N O3 S2 -","- C32 H30 N2 O6 S4 -","2","1","","Cheng, Xing; Yu, Yinghua; Mao, Zhifeng; Chen, Jianxin; Huang, Xueliang","Facile synthesis of substituted 3-aminofurans through a tandem reaction of N-sulfonyl-1,2,3-triazoles with propargyl alcohols.","Organic & biomolecular chemistry","2016","14","16","3878","3882","10.1039/c6ob00377j","","","0.71073","MoKα","","0.0877","0.066","","","0.1813","0.2005","","","","","","1.073","","","","has coordinates","205752","2020-10-21","18:00:00",""
"7155000","14.818","0.003","10.636","0.002","15.416","0.003","90","","113.84","0.03","90","","2222.3","0.9","153","2","153","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C25 H23 N O4 S -","- C25 H23 N O4 S -","- C100 H92 N4 O16 S4 -","4","1","","Cheng, Xing; Yu, Yinghua; Mao, Zhifeng; Chen, Jianxin; Huang, Xueliang","Facile synthesis of substituted 3-aminofurans through a tandem reaction of N-sulfonyl-1,2,3-triazoles with propargyl alcohols.","Organic & biomolecular chemistry","2016","14","16","3878","3882","10.1039/c6ob00377j","","","0.71073","MoKα","","0.1252","0.0765","","","0.175","0.2036","","","","","","1.082","","","","has coordinates","182785","2020-10-21","18:00:00",""
"7155001","13.9018","0.0004","17.531","0.0004","9.7328","0.0002","90","","90","","90","","2372","0.1","100","2","100","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C30 H25 N O3 S -","- C30 H25 N O3 S -","- C120 H100 N4 O12 S4 -","4","1","","Cheng, Xing; Yu, Yinghua; Mao, Zhifeng; Chen, Jianxin; Huang, Xueliang","Facile synthesis of substituted 3-aminofurans through a tandem reaction of N-sulfonyl-1,2,3-triazoles with propargyl alcohols.","Organic & biomolecular chemistry","2016","14","16","3878","3882","10.1039/c6ob00377j","","","1.54184","CuKα","","0.0343","0.0307","","","0.0766","0.0797","","","","","","1.05","","","","has coordinates","182785","2020-10-21","18:00:00",""
"7155002","9.3775","0.0007","11.0241","0.0008","9.5231","0.0006","90","","110.422","0.004","90","","922.61","0.11","","","296.15","","","","","","","","","5","P 1 21 1","P 2yb","4","pyrido[1,2,a]indole","(4-fluorophenyl)(10-(2-fluorophenyl)pyrido[1,2-a]indol-9-yl)methanone","","- C25 H15 F2 N O -","- C25 H15 F2 N O -","- C50 H30 F4 N2 O2 -","2","1","","Dawande, Sudam Ganpat; Lad, Bapurao Sudam; Prajapati, Sunitkumar; Katukojvala, Sreenivas","Rhodium-catalyzed pyridannulation of indoles with diazoenals: a direct approach to pyrido[1,2-a]indoles.","Organic & biomolecular chemistry","2016","14","24","5569","5573","10.1039/c6ob00360e","","","0.71073","MoKα","","0.0639","0.0603","","","0.1746","0.1797","","","","","","1.1402","","","","has coordinates","278046","2022-09-21","15:45:42",""
"7155003","10.1488","0.0005","17.0478","0.0004","12.052","0.0004","90","","113.032","0.005","90","","1918.96","0.14","298","","298","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","2-Bromo-9,10-dimethyl-6,17c-dihydro-5H-indazolo[2,3-a]isoquinolino[1,2-c]quinoxaline","","- C24 H20 Br N3 -","- C24 H20 Br N3 -","- C96 H80 Br4 N12 -","4","1","","Shinde, Anand H.; Vidyacharan, Shinde; Sharada, Duddu S.","BF3·OEt2 mediated metal-free one-pot sequential multiple annulation cascade (SMAC) synthesis of complex and diverse tetrahydroisoquinoline fused hybrid molecules.","Organic & biomolecular chemistry","2016","14","12","3207","3211","10.1039/c6ob00253f","","","1.5418","CuKα","","0.066179","0.05177","","","","0.15219","","","","","","1.04853","","","","has coordinates","181786","2020-10-21","18:00:00",""
"7155004","12.282","0.003","8.937","0.0018","22.179","0.004","90","","92.6","0.03","90","","2432","0.9","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C28 H26 N O4 P -","- C28 H26 N O4 P -","- C112 H104 N4 O16 P4 -","4","1","","Anitha, Mandala; Gangadhararao, G.; Kumara Swamy, K. C.","Base catalysed intermolecular cyclisation of N-protected o-amino benzaldehyde/acetophenone with phosphorus/sulphur based allenes: facile synthesis of substituted quinolines.","Organic & biomolecular chemistry","2016","14","14","3591","3602","10.1039/c6ob00259e","","","0.71073","MoKα","","0.0712","0.0573","","","0.1269","0.1337","","","","","","1.156","","","","has coordinates","181801","2020-10-21","18:00:00",""
"7155005","10.479","0.0009","10.8907","0.0009","12.8985","0.0009","68.115","0.007","68.507","0.007","89.099","0.007","1258.4","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C29 H28 N O4 P -","- C29 H28 N O4 P -","- C58 H56 N2 O8 P2 -","2","1","","Anitha, Mandala; Gangadhararao, G.; Kumara Swamy, K. C.","Base catalysed intermolecular cyclisation of N-protected o-amino benzaldehyde/acetophenone with phosphorus/sulphur based allenes: facile synthesis of substituted quinolines.","Organic & biomolecular chemistry","2016","14","14","3591","3602","10.1039/c6ob00259e","","","1.54184","CuKα","","0.054","0.0463","","","0.1279","0.1358","","","","","","1.045","","","","has coordinates","181801","2020-10-21","18:00:00",""
"7155006","17.859","0.0016","5.8124","0.0004","21.742","0.002","90","","106.101","0.01","90","","2168.4","0.3","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C15 H11 N O -","- C15 H11 N O -","- C120 H88 N8 O8 -","8","1","","Anitha, Mandala; Gangadhararao, G.; Kumara Swamy, K. C.","Base catalysed intermolecular cyclisation of N-protected o-amino benzaldehyde/acetophenone with phosphorus/sulphur based allenes: facile synthesis of substituted quinolines.","Organic & biomolecular chemistry","2016","14","14","3591","3602","10.1039/c6ob00259e","","","0.71073","MoKα","","0.054","0.0409","","","0.1042","0.1139","","","","","","1.044","","","","has coordinates","181801","2020-10-21","18:00:00",""
"7155007","17.482","0.004","5.9043","0.0013","23.251","0.005","90","","100.505","0.003","90","","2359.7","0.9","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C15 H10 Cl N O -","- C15 H10 Cl N O -","- C120 H80 Cl8 N8 O8 -","8","1","","Anitha, Mandala; Gangadhararao, G.; Kumara Swamy, K. C.","Base catalysed intermolecular cyclisation of N-protected o-amino benzaldehyde/acetophenone with phosphorus/sulphur based allenes: facile synthesis of substituted quinolines.","Organic & biomolecular chemistry","2016","14","14","3591","3602","10.1039/c6ob00259e","","","0.71073","MoKα","","0.0551","0.0479","","","0.1212","0.1272","","","","","","1.068","","","","has coordinates","181801","2020-10-21","18:00:00",""
"7155008","9.6939","0.0019","21.405","0.004","27.668","0.006","90","","80.83","0.03","90","","5668","2","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C35 H25 Cl N O2 P -","- C35 H25 Cl N O2 P -","- C280 H200 Cl8 N8 O16 P8 -","8","2","","Anitha, Mandala; Gangadhararao, G.; Kumara Swamy, K. C.","Base catalysed intermolecular cyclisation of N-protected o-amino benzaldehyde/acetophenone with phosphorus/sulphur based allenes: facile synthesis of substituted quinolines.","Organic & biomolecular chemistry","2016","14","14","3591","3602","10.1039/c6ob00259e","","","0.71073","MoKα","","0.1643","0.1094","","","0.2299","0.2583","","","","","","1.117","","","","has coordinates","181801","2020-10-21","18:00:00",""
"7155009","10.626","0.002","11.358","0.002","21.635","0.004","104.76","0.03","91.46","0.03","90.01","0.03","2524.1","0.9","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C30 H22 Cl N O3 S -","- C30 H22 Cl N O3 S -","- C120 H88 Cl4 N4 O12 S4 -","4","2","","Anitha, Mandala; Gangadhararao, G.; Kumara Swamy, K. C.","Base catalysed intermolecular cyclisation of N-protected o-amino benzaldehyde/acetophenone with phosphorus/sulphur based allenes: facile synthesis of substituted quinolines.","Organic & biomolecular chemistry","2016","14","14","3591","3602","10.1039/c6ob00259e","","","0.71073","MoKα","","0.0877","0.0836","","","0.2468","0.2541","","","","","","1.108","","","","has coordinates","181801","2020-10-21","18:00:00",""
"7155010","34.28","0.003","17.6184","0.0013","25.486","0.004","90","","131.387","0.003","90","","11548","2","300","2","300","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C29 H32 N O6 P S -","- C29 H32 N O6 P S -","- C464 H512 N16 O96 P16 S16 -","16","2","","Anitha, Mandala; Gangadhararao, G.; Kumara Swamy, K. C.","Base catalysed intermolecular cyclisation of N-protected o-amino benzaldehyde/acetophenone with phosphorus/sulphur based allenes: facile synthesis of substituted quinolines.","Organic & biomolecular chemistry","2016","14","14","3591","3602","10.1039/c6ob00259e","","","0.71073","MoKα","","0.1113","0.0616","","","0.1583","0.1801","","","","","","1.058","","","","has coordinates","181801","2020-10-21","18:00:00",""
"7155011","10.1831","0.0002","17.6304","0.0004","18.6382","0.0005","90","","92.2453","0.0011","90","","3343.59","0.13","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Benzimidazoindoloindolol","","- C35 H28 Cl3 N3 O5 S2 -","- C35 H28 Cl3 N3 O5 S2 -","- C140 H112 Cl12 N12 O20 S8 -","4","1","","Badigenchala, Sindhura; Rajeshkumar, Venkatachalam; Sekar, Govindasamy","Iodine mediated intramolecular C2-amidative cyclization of indoles: a facile access to indole fused tetracycles.","Organic & biomolecular chemistry","2016","14","7","2297","2305","10.1039/c5ob02449h","","","0.71073","MoKα","","0.0715","0.0495","","","0.133","0.1514","","","","","","1.023","","","","has coordinates","177604","2020-10-21","18:00:00",""
"7155012","4.6985","0.0007","9.6719","0.0014","9.8461","0.0014","111.248","0.002","92.409","0.002","91.899","0.002","416.09","0.1","293","2","293","2","","","","","","","synthesis as described","5","P -1","-P 1","2","","","","- C9 H5 Cl N2 O2 -","- C9 H5 Cl N2 O2 -","- C18 H10 Cl2 N4 O4 -","2","1","","Théveau, Laure; Schneider, Cédric; Querolle, Olivier; Meerpoel, Lieven; Levacher, Vincent; Hoarau, Christophe","Synthesis and orthogonal functionalization of oxazolo[5',4':4,5]pyrano[2,3-b]pyridine by intra- and intermolecular Pd-catalyzed direct C-H bond heteroarylation.","Organic & biomolecular chemistry","2016","14","13","3459","3468","10.1039/c6ob00227g","","x-ray","0.71073","MoKα","","0.0387","0.0346","","","0.0888","0.0915","","","","","","1.047","","","","has coordinates","181777","2020-10-21","18:00:00",""
"7155013","6.6155","0.0011","7.022","0.0012","9.6435","0.0017","82.132","0.003","76.879","0.003","71.863","0.003","413.54","0.12","293","2","293","2","","","","","","","synthesis as described","5","P -1","-P 1","2","","","","- C9 H5 Cl N2 O2 -","- C9 H5 Cl N2 O2 -","- C18 H10 Cl2 N4 O4 -","2","1","","Théveau, Laure; Schneider, Cédric; Querolle, Olivier; Meerpoel, Lieven; Levacher, Vincent; Hoarau, Christophe","Synthesis and orthogonal functionalization of oxazolo[5',4':4,5]pyrano[2,3-b]pyridine by intra- and intermolecular Pd-catalyzed direct C-H bond heteroarylation.","Organic & biomolecular chemistry","2016","14","13","3459","3468","10.1039/c6ob00227g","","x-ray","0.71073","MoKα","","0.059","0.0488","","","0.1415","0.1483","","","","","","1.07","","","","has coordinates","181777","2020-10-21","18:00:00",""
"7155014","8.1761","0.0005","11.9692","0.0007","15.1398","0.0009","90","","96.343","0.001","90","","1472.53","0.15","294","2","294","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C18 H13 F O4 -","- C18 H13 F O4 -","- C72 H52 F4 O16 -","4","1","","Mangina, N. S. V. M. Rao; Suresh, Surisetti; Sridhar, Balasubramanian; Karunakar, Galla V.","Gold(iii)-catalyzed synthesis of aroylbenzo[b]oxepin-3-ones from ortho-O-propargyl-1-one substituted arylaldehydes.","Organic & biomolecular chemistry","2016","14","14","3526","3535","10.1039/c5ob02676h","","","0.71073","MoKα","","0.06","0.0527","","","0.1496","0.1574","","","","","","1.036","","","","has coordinates","181800","2020-10-21","18:00:00",""
"7155015","10.2113","0.0008","10.8594","0.0009","15.4503","0.0012","90","","102.946","0.001","90","","1669.7","0.2","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Rac-(2R,4R,5R)-tert-butyl 2-(4-chlorophenyl)-4-fluoro-5-hydroxypiperidine-1-carboxylate","","- C16 H21 Cl F N O3 -","- C16 H21 Cl F N O3 -","- C64 H84 Cl4 F4 N4 O12 -","4","1","","Yan, Nan; Fang, Zheng; Liu, Qing-Quan; Guo, Xiao-Hong; Hu, Xiang-Guo","Conformation-induced regioselective and divergent opening of epoxides by fluoride: facile access to hydroxylated fluoro-piperidines.","Organic & biomolecular chemistry","2016","14","13","3469","3475","10.1039/c6ob00063k","","","0.71073","MoKα","","0.0546","0.0437","","","0.1186","0.1307","","","","","","1.039","","","","has coordinates","181779","2020-10-21","18:00:00",""
"7155016","10.0718","0.0018","10.9443","0.0019","15.782","0.003","90","","102.965","0.002","90","","1695.3","0.5","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Rac-(2R,4R,5R)-tert-butyl 4-fluoro-5-hydroxy-2-(p-tolyl)piperidine-1-carboxylate","","- C17 H24 F N O3 -","- C17 H24 F N O3 -","- C68 H96 F4 N4 O12 -","4","1","","Yan, Nan; Fang, Zheng; Liu, Qing-Quan; Guo, Xiao-Hong; Hu, Xiang-Guo","Conformation-induced regioselective and divergent opening of epoxides by fluoride: facile access to hydroxylated fluoro-piperidines.","Organic & biomolecular chemistry","2016","14","13","3469","3475","10.1039/c6ob00063k","","","0.71073","MoKα","","0.066","0.0456","","","0.1169","0.1301","","","","","","1.028","","","","has coordinates","181779","2020-10-21","18:00:00",""
"7155017","8.7967","0.0004","9.2428","0.0004","17.2636","0.0008","90","","90","","90","","1403.64","0.11","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(R,Z)-3-(4-fluorophenyl)-2-(hydroxyimino)-3-(trifluoromethyl)-3,5,6,7-tetrahydrobenzofuran-4(2H)-one","","- C15 H11 F4 N O3 -","- C15 H11 F4 N O3 -","- C60 H44 F16 N4 O12 -","4","1","","Liu, Wei; Lai, Xiaoyan; Zha, Gaofeng; Xu, Yan; Sun, Panpan; Xia, Tao; Shen, Yongcun","The squaramide-catalyzed asymmetric Michael/cyclization tandem reaction for the synthesis of chiral trifluoromethylated hydroxyimino tetrahydrobenzofuranones.","Organic & biomolecular chemistry","2016","14","14","3603","3607","10.1039/c6ob00119j","","","1.54178","CuKα","","0.0439","0.037","","","0.0872","0.0924","","","","","","1.075","","","","has coordinates","181798","2020-10-21","18:00:00",""
"7155018","7.4773","0.001","8.2931","0.0011","20.419","0.003","90","","90","","90","","1266.2","0.3","298","2","298","2","","","","","","","synthesis","4","P 21 21 21","P 2ac 2ab","19","","Compound 10","","- C11 H13 N5 O4 -","- C11 H13 N5 O4 -","- C44 H52 N20 O16 -","4","1","","Zhang, Hu; Liu, Peng-Fei; Chen, Qiong; Wu, Qiong-You; Seville, Anne; Gu, Yu-Cheng; Clough, John; Zhou, Shao-Lin; Yang, Guang-Fu","Synthesis and absolute configuration assignment of albucidin: a late-stage reductive deiodination by visible light photocatalysis.","Organic & biomolecular chemistry","2016","14","13","3482","3485","10.1039/c6ob00371k","","","0.71073","MoKα","","0.0409","0.0376","","","0.1079","0.1122","","","","","","1.058","","","","has coordinates","181780","2020-10-21","18:00:00",""
"7155019","5.9412","0.0001","5.9412","0.0001","60.104","0.0009","90","","90","","90","","2121.54","0.06","100","2","100","2","","","","","","","synthesis","5","P 43 21 2","P 4nw 2abw","96","","1R,3S-albucidin","","- C9 H3 D10 N5 O3 -","- C9 H3 D10 N5 O3 -","- C72 H24 D80 N40 O24 -","8","1","","Zhang, Hu; Liu, Peng-Fei; Chen, Qiong; Wu, Qiong-You; Seville, Anne; Gu, Yu-Cheng; Clough, John; Zhou, Shao-Lin; Yang, Guang-Fu","Synthesis and absolute configuration assignment of albucidin: a late-stage reductive deiodination by visible light photocatalysis.","Organic & biomolecular chemistry","2016","14","13","3482","3485","10.1039/c6ob00371k","","","1.54178","CuKα","","0.0297","0.0297","","","0.0839","0.0839","","","","","","0.581","","","","has coordinates","181780","2020-10-21","18:00:00",""
"7155020","5.9872","0.0009","5.9872","0.0009","60.571","0.009","90","","90","","90","","2171.3","0.6","296","2","296","2","","","","","","","synthesis","5","P 41 21 2","P 4abw 2nw","92","","1S,3R-albucidin","","- C9 H11 D2 N5 O3 -","- C9 H11 D2 N5 O3 -","- C72 H88 D16 N40 O24 -","8","1","","Zhang, Hu; Liu, Peng-Fei; Chen, Qiong; Wu, Qiong-You; Seville, Anne; Gu, Yu-Cheng; Clough, John; Zhou, Shao-Lin; Yang, Guang-Fu","Synthesis and absolute configuration assignment of albucidin: a late-stage reductive deiodination by visible light photocatalysis.","Organic & biomolecular chemistry","2016","14","13","3482","3485","10.1039/c6ob00371k","","","0.71073","MoKα","","0.082","0.0814","","","0.1836","0.1839","","","","","","1.194","","","","has coordinates","181780","2020-10-21","18:00:00",""
"7155021","16.925","0.0003","17.9908","0.0005","10.9836","0.0004","90","","106.315","0.003","90","","3209.77","0.17","295","2","295","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","dimethyl 2,3-dicyano-1',3'-dioxo-1',3'-dihydrospiro[cyclopropane-1,2'-indene]-2,3-dicarboxylate","","- C17 H10 N2 O6 -","- C17 H10 N2 O6 -","- C136 H80 N16 O48 -","8","2","","Karpov, S. V.; Kaukov, Ya S.; Grigor'ev, A. A.; Nasakin, O. E.; Kaukova, O. V.; Tafeenko, V. A.","Synthesis of novel polycyano-containing organic ligands via double carbanion cleavage of 1',3'-dioxo-1',3'-dihydrospiro[cyclopropane-1,2'-indene] derivatives.","Organic & biomolecular chemistry","2016","14","15","3758","3764","10.1039/c6ob00092d","","","1.54186","CuKα","","0.0739","0.0568","","","0.1386","0.1465","","","","","","0.911","","","","has coordinates","193656","2020-10-21","18:00:00",""
"7155022","25.935","0.004","7.888","0.002","18.793","0.004","90","","108.37","0.03","90","","3648.7","1.5","298","2","298","2","","","","","","","","5","C 1 c 1","C -2yc","9","","rubidium 1,1,3,3-tetracyano-2-(2-(isopropoxycarbonyl)benzoyl)prop-2-en-1-ide","","- C36 H22 N8 O6 Rb2 -","- C36 H22 N8 O6 Rb2 -","- C144 H88 N32 O24 Rb8 -","4","1","","Karpov, S. V.; Kaukov, Ya S.; Grigor'ev, A. A.; Nasakin, O. E.; Kaukova, O. V.; Tafeenko, V. A.","Synthesis of novel polycyano-containing organic ligands via double carbanion cleavage of 1',3'-dioxo-1',3'-dihydrospiro[cyclopropane-1,2'-indene] derivatives.","Organic & biomolecular chemistry","2016","14","15","3758","3764","10.1039/c6ob00092d","","","0.71073","MoKα","","0.1279","0.0568","","","0.0779","0.0956","","","","","","0.923","","","","has coordinates","182784","2020-10-21","18:00:00",""
"7155023","14.498","0.005","13.886","0.004","18.696","0.004","90","","90","","90","","3763.9","1.9","295","2","295","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","potassium (Z)-2,4-dicyano-1,5-dimethoxy-3-(2-(methoxycarbonyl)benzoyl)-1,5-dioxopent-3-en-2-ide","","- C18 H13 K N2 O7 -","- C18 H13 K N2 O7 -","- C144 H104 K8 N16 O56 -","8","1","","Karpov, S. V.; Kaukov, Ya S.; Grigor'ev, A. A.; Nasakin, O. E.; Kaukova, O. V.; Tafeenko, V. A.","Synthesis of novel polycyano-containing organic ligands via double carbanion cleavage of 1',3'-dioxo-1',3'-dihydrospiro[cyclopropane-1,2'-indene] derivatives.","Organic & biomolecular chemistry","2016","14","15","3758","3764","10.1039/c6ob00092d","","","0.71073","MoKα","","0.1007","0.0552","","","0.1152","0.132","","","","","","1.039","","","","has coordinates","182784","2020-10-21","18:00:00",""
"7155024","11.4992","0.0008","13.2277","0.0006","20.0327","0.001","80.075","0.004","80.054","0.005","76.358","0.005","2889","0.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C69 H48 F6 N11 O5 -","- C69 H48 F6 N11 O5 -","- C138 H96 F12 N22 O10 -","2","1","","Murray, Alexander T.; Challinor, Jonathan D.; Gulácsy, Christina E; Lujan, Cristina; Hatcher, Lauren E.; Pudney, Christopher R.; Raithby, Paul R.; John, Matthew P.; Carbery, David R.","Modelling flavoenzymatic charge transfer events: development of catalytic indole deuteration strategies.","Organic & biomolecular chemistry","2016","14","15","3787","3792","10.1039/c6ob00361c","","","0.71073","MoKα","","0.151","0.0783","","","0.1802","0.2479","","","","","","0.974","","","","has coordinates,has disorder","182778","2020-10-21","18:00:00",""
"7155025","6.6629","0.0007","25.004","0.003","14.956","0.002","90","","97.81","0.012","90","","2468.5","0.5","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C28 H23 Cl F3 N5 O3 -","- C28 H23 Cl F3 N5 O3 -","- C112 H92 Cl4 F12 N20 O12 -","4","1","","Murray, Alexander T.; Challinor, Jonathan D.; Gulácsy, Christina E; Lujan, Cristina; Hatcher, Lauren E.; Pudney, Christopher R.; Raithby, Paul R.; John, Matthew P.; Carbery, David R.","Modelling flavoenzymatic charge transfer events: development of catalytic indole deuteration strategies.","Organic & biomolecular chemistry","2016","14","15","3787","3792","10.1039/c6ob00361c","","","0.71073","MoKα","","0.1083","0.0558","","","0.0889","0.0968","","","","","","0.839","","","","has coordinates,has disorder","182778","2020-10-21","18:00:00",""
"7155026","5.0171","0.0014","8.347","0.002","10.439","0.003","101.211","0.005","102.192","0.007","91.033","0.008","418.4","0.2","233","","233","","","","","","","","","6","P 1","P 1","1","","","","- C18 H15 Br F3 N O -","- C18 H15 Br F3 N O -","- C18 H15 Br F3 N O -","1","1","","Ikeda, Kazunori; Futamura, Takashi; Hanakawa, Taisyun; Minakawa, Maki; Kawatsura, Motoi","Palladium-catalyzed enantioselective allylic alkylation of trifluoromethyl group substituted racemic and acyclic unsymmetrical 1,3-disubstituted allylic esters with malonate anions.","Organic & biomolecular chemistry","2016","14","14","3501","3505","10.1039/c6ob00449k","","","0.71075","MoKα","","","0.0242","","","","0.0288","","","","","","0.818","","","","has coordinates","181797","2020-10-21","18:00:00",""
"7155027","8.4009","0.0004","10.4848","0.0004","11.8979","0.0005","94.791","0.001","103.025","0.001","108.548","0.001","954.23","0.07","298","2","298","2","","","","","","","Synthetic","4","P -1","-P 1","2","Formil isoplicamine","Formil isoplicamine","","- C21 H22 N2 O5 -","- C21 H22 N2 O5 -","- C42 H44 N4 O10 -","2","1","","Mijangos, Marco V.; Miranda, Luis D.","Multicomponent access to indolo[3,3a-c]isoquinolin-3,6-diones: formal synthesis of (±)-plicamine.","Organic & biomolecular chemistry","2016","14","15","3677","3680","10.1039/c6ob00231e","","","0.71073","MoKα","","0.0609","0.0406","","","0.0955","0.1061","","","","","","1.03","","","","has coordinates","182779","2020-10-21","18:00:00",""
"7155028","18.0189","0.0003","13.8383","0.0003","19.9173","0.0004","90","","93.1629","0.0016","90","","4958.83","0.17","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Diethyl (1-((1-(4-aminophenyl)ethoxy)(tert-butyl)amino)-2,2-dimethylpropyl)phosphonate","","- C21 H39 N2 O4 P -","- C21 H39 N2 O4 P -","- C168 H312 N16 O32 P8 -","8","2","","Audran, Gérard; Brémond, Paul; Joly, Jean-Patrick; Marque, Sylvain R. A.; Yamasaki, Toshihide","C-ON bond homolysis in alkoxyamines. Part 12: the effect of the para-substituent in the 1-phenylethyl fragment.","Organic & biomolecular chemistry","2016","14","14","3574","3583","10.1039/c6ob00384b","","x-ray","1.54184","CuKα","","0.0801","0.0641","","","0.1787","0.1972","","","","","","1.042","","","","has coordinates","193656","2020-10-21","18:00:00",""
"7155029","8.62323","0.00015","9.53739","0.00016","31.7545","0.0006","90","","90.2784","0.0017","90","","2611.56","0.08","293","","293","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Methyl 4-(1-((tert-butyl(1-(diethoxyphosphoryl)-2,2-dimethylpropyl)amino)oxy)ethyl)benzoate","","- C23 H40 N O6 P -","- C23 H40 N O6 P -","- C92 H160 N4 O24 P4 -","4","1","","Audran, Gérard; Brémond, Paul; Joly, Jean-Patrick; Marque, Sylvain R. A.; Yamasaki, Toshihide","C-ON bond homolysis in alkoxyamines. Part 12: the effect of the para-substituent in the 1-phenylethyl fragment.","Organic & biomolecular chemistry","2016","14","14","3574","3583","10.1039/c6ob00384b","","x-ray","1.54184","CuKα","","0.0813","0.0533","","","0.147","0.1558","","","","","","1.14","","","","has coordinates,has disorder","181799","2020-10-21","18:00:00",""
"7155030","9.0712","0.0003","10.2972","0.0003","13.5576","0.0003","75.983","0.002","80.691","0.002","78.803","0.002","1196.5","0.06","293","","293","","","","","","","","","6","P -1","-P 1","2","","Diethyl (1-(tert-butyl(1-(4-fluorophenyl)ethoxy)amino)-2,2-dimethylpropyl)phosphonate","","- C21 H37 F N O4 P -","- C21 H37 F N O4 P -","- C42 H74 F2 N2 O8 P2 -","2","1","","Audran, Gérard; Brémond, Paul; Joly, Jean-Patrick; Marque, Sylvain R. A.; Yamasaki, Toshihide","C-ON bond homolysis in alkoxyamines. Part 12: the effect of the para-substituent in the 1-phenylethyl fragment.","Organic & biomolecular chemistry","2016","14","14","3574","3583","10.1039/c6ob00384b","","x-ray","1.54184","CuKα","","0.0586","0.0495","","","0.1482","0.1589","","","","","","1.059","","","","has coordinates","181799","2020-10-21","18:00:00",""
"7155031","8.0511","0.001","13.583","0.016","9.587","0.011","90","","109.73","0.019","90","","986.9","1.6","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C25 H20 N O S -","- C25 H20 N O S -","- C50 H40 N2 O2 S2 -","2","1","","Gharpure, Santosh J.; Nanda, Santosh K.","Stereoselective synthesis of thiazino[4,3-a]indoles using the thia-Pictet-Spengler reaction of indoles bearing N-tethered thiols and vinylogous thiocarbonates.","Organic & biomolecular chemistry","2016","14","24","5586","5590","10.1039/c6ob00501b","","","0.71075","MoKα","","0.0952","0.0867","","","0.2299","0.2389","","","","","","1.035","","","","has coordinates","206489","2020-10-21","18:00:00",""
"7155032","9.7915","0.0007","10.0496","0.0006","33.148","0.002","90","","90","","90","","3261.8","0.4","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C31 H32 N O3 Rh -","- C31 H32 N O3 Rh -","- C124 H128 N4 O12 Rh4 -","4","1","","Zhao, Yi-Shuang; Liu, Jian-Kang; He, Zhi-Tao; Tao, Jing-Chao; Tian, Ping; Lin, Guo-Qiang","Two phenyls are better than one or three: synthesis and application of terminal olefin-oxazoline (TOlefOx) ligands.","Organic & biomolecular chemistry","2016","14","15","3686","3689","10.1039/c6ob00460a","","","0.71073","MoKα","","0.0499","0.0419","","","0.0963","0.1004","","","","","","1.021","","","","has coordinates","182780","2020-10-21","18:00:00",""
"7155033","10.8993","0.0007","13.2135","0.0008","21.2588","0.0013","90","","90","","90","","3061.6","0.3","130","","130","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C37 H36 N O3 Rh -","- C37 H36 N O3 Rh -","- C148 H144 N4 O12 Rh4 -","4","1","","Zhao, Yi-Shuang; Liu, Jian-Kang; He, Zhi-Tao; Tao, Jing-Chao; Tian, Ping; Lin, Guo-Qiang","Two phenyls are better than one or three: synthesis and application of terminal olefin-oxazoline (TOlefOx) ligands.","Organic & biomolecular chemistry","2016","14","15","3686","3689","10.1039/c6ob00460a","","","0.71073","MoKα","","0.0347","0.03","","","0.0607","0.0626","","","","","","1.018","","","","has coordinates","182780","2020-10-21","18:00:00",""
"7155034","15.2591","0.0005","7.75811","0.00018","16.2453","0.0004","90","","105.972","0.003","90","","1848.91","0.09","295","2","295","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C23 H20 N4 -","- C23 H20 N4 -","- C92 H80 N16 -","4","1","","Maroń, Anna; Szlapa, Agata; Klemens, Tomasz; Kula, Slawomir; Machura, Barbara; Krompiec, Stanisław; Małecki, Jan Grzegorz; Switlicka-Olszewska, Anna; Erfurt, Karol; Chrobok, Anna","Tuning the photophysical properties of 4'-substituted terpyridines - an experimental and theoretical study.","Organic & biomolecular chemistry","2016","14","15","3793","3808","10.1039/c6ob00038j","","x-ray","1.54184","CuKα","","0.0494","0.0432","","","0.1163","0.1237","","","","","","1.03","","","","has coordinates","182781","2020-10-21","18:00:00",""
"7155035","12.4993","0.0004","12.6093","0.0005","13.1403","0.0005","102.843","0.003","90.295","0.003","94.809","0.003","2011.49","0.13","295","2","295","2","","","","","","","","4","P -1","-P 1","2","","","","- C26 H19 N3 O -","- C26 H19 N3 O -","- C104 H76 N12 O4 -","4","2","","Maroń, Anna; Szlapa, Agata; Klemens, Tomasz; Kula, Slawomir; Machura, Barbara; Krompiec, Stanisław; Małecki, Jan Grzegorz; Switlicka-Olszewska, Anna; Erfurt, Karol; Chrobok, Anna","Tuning the photophysical properties of 4'-substituted terpyridines - an experimental and theoretical study.","Organic & biomolecular chemistry","2016","14","15","3793","3808","10.1039/c6ob00038j","","x-ray","1.54184","CuKα","","0.0792","0.066","","","0.1803","0.2018","","","","","","1.044","","","","has coordinates","182781","2020-10-21","18:00:00",""
"7155036","11.1295","0.0008","11.4081","0.001","12.1912","0.0009","90","","90","","90","","1547.9","0.2","295","2","295","2","","","","","","","","3","P b c n","-P 2n 2ab","60","","","","- C20 H14 N4 -","- C20 H14 N4 -","- C80 H56 N16 -","4","0.5","","Maroń, Anna; Szlapa, Agata; Klemens, Tomasz; Kula, Slawomir; Machura, Barbara; Krompiec, Stanisław; Małecki, Jan Grzegorz; Switlicka-Olszewska, Anna; Erfurt, Karol; Chrobok, Anna","Tuning the photophysical properties of 4'-substituted terpyridines - an experimental and theoretical study.","Organic & biomolecular chemistry","2016","14","15","3793","3808","10.1039/c6ob00038j","","x-ray","0.71073","MoKα","","0.0578","0.0417","","","0.0987","0.1038","","","","","","1.011","","","","has coordinates","182781","2020-10-21","18:00:00",""
"7155037","10.3826","0.0008","13.1881","0.0011","11.3683","0.0012","90","","105.41","0.01","90","","1500.7","0.2","295","2","295","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H13 N3 O -","- C19 H13 N3 O -","- C76 H52 N12 O4 -","4","1","","Maroń, Anna; Szlapa, Agata; Klemens, Tomasz; Kula, Slawomir; Machura, Barbara; Krompiec, Stanisław; Małecki, Jan Grzegorz; Switlicka-Olszewska, Anna; Erfurt, Karol; Chrobok, Anna","Tuning the photophysical properties of 4'-substituted terpyridines - an experimental and theoretical study.","Organic & biomolecular chemistry","2016","14","15","3793","3808","10.1039/c6ob00038j","","x-ray","0.71073","MoKα","","0.1159","0.0641","","","0.1771","0.2021","","","","","","1.056","","","","has coordinates,has disorder","182781","2020-10-21","18:00:00",""
"7155038","16.652","0.002","6.8992","0.0009","18.61","0.003","90","","90","","90","","2138","0.5","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C10 H15 N3 O3 -","- C10 H15 N3 O3 -","- C80 H120 N24 O24 -","8","1","","Broadley, Kenneth J.; Burnell, Erica; Davies, Robin H.; Lee, Alan T. L.; Snee, Stephen; Thomas, Eric J.","The synthesis of a series of adenosine A3 receptor agonists.","Organic & biomolecular chemistry","2016","14","15","3765","3781","10.1039/c6ob00244g","","","0.71073","MoKα","","0.0659","0.0391","","","0.0841","0.0911","","","","","","0.926","","","","has coordinates","182783","2020-10-21","18:00:00",""
"7155039","7.6207","0.0007","12.3266","0.0012","11.1367","0.0011","90","","101.726","0.002","90","","1024.32","0.17","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C10 H13 N3 O2 -","- C10 H13 N3 O2 -","- C40 H52 N12 O8 -","4","2","","Broadley, Kenneth J.; Burnell, Erica; Davies, Robin H.; Lee, Alan T. L.; Snee, Stephen; Thomas, Eric J.","The synthesis of a series of adenosine A3 receptor agonists.","Organic & biomolecular chemistry","2016","14","15","3765","3781","10.1039/c6ob00244g","","","0.71073","MoKα","","0.0407","0.035","","","0.0883","0.0902","","","","","","1.004","","","","has coordinates","182783","2020-10-21","18:00:00",""
"7155040","27.5444","0.0014","4.0773","0.0004","26.9996","0.0014","90","","90","","90","","3032.2","0.4","100","2","100","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C15 H16 Br N3 O4 -","- C15 H16 Br N3 O4 -","- C120 H128 Br8 N24 O32 -","8","2","","Broadley, Kenneth J.; Burnell, Erica; Davies, Robin H.; Lee, Alan T. L.; Snee, Stephen; Thomas, Eric J.","The synthesis of a series of adenosine A3 receptor agonists.","Organic & biomolecular chemistry","2016","14","15","3765","3781","10.1039/c6ob00244g","","","0.6889","synchrotron","","0.0716","0.0638","","","0.152","0.158","","","","","","1.076","","","","has coordinates","182783","2020-10-21","18:00:00",""
"7155041","8.0842","0.0005","12.4461","0.0008","16.7654","0.0009","90","","90","","90","","1686.88","0.18","293","2","293.15","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C15 H16 Al Br O2 S -","- C15 H16 Al Br O2 S -","- C60 H64 Al4 Br4 O8 S4 -","4","1","","Tang, Yani; Sun, Yuji; Liu, Jiyong; Duttwyler, Simon","Facile synthesis of enantioenriched phenol-sulfoxides and their aluminum complexes.","Organic & biomolecular chemistry","2016","14","24","5580","5585","10.1039/c6ob00136j","","","0.71073","MoKα","","0.0599","0.0381","","","0.1043","0.1249","","","","","","0.827","","","","has coordinates","183753","2020-10-21","18:00:00",""
"7155042","8.2836","0.0009","10.3728","0.0011","19.708","0.003","90","","91.303","0.012","90","","1693","0.4","293","2","293.15","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C18 H22 O3 S -","- C18 H22 O3 S -","- C72 H88 O12 S4 -","4","2","","Tang, Yani; Sun, Yuji; Liu, Jiyong; Duttwyler, Simon","Facile synthesis of enantioenriched phenol-sulfoxides and their aluminum complexes.","Organic & biomolecular chemistry","2016","14","24","5580","5585","10.1039/c6ob00136j","","","0.71073","MoKα","","0.1001","0.0801","","","0.199","0.2265","","","","","","1.072","","","","has coordinates,has disorder","183753","2020-10-21","18:00:00",""
"7155043","10.664","0.0007","9.233","0.0006","11.347","0.0007","90","","96.158","0.006","90","","1110.79","0.12","293","2","293.15","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C26 H24 O3 S -","- C26 H24 O3 S -","- C52 H48 O6 S2 -","2","1","","Tang, Yani; Sun, Yuji; Liu, Jiyong; Duttwyler, Simon","Facile synthesis of enantioenriched phenol-sulfoxides and their aluminum complexes.","Organic & biomolecular chemistry","2016","14","24","5580","5585","10.1039/c6ob00136j","","","0.71073","MoKα","","0.0529","0.042","","","0.093","0.1015","","","","","","1.045","","","","has coordinates","183753","2020-10-21","18:00:00",""
"7155044","9.1301","0.0004","10.89","0.0006","13.3698","0.0009","90","","90","","90","","1329.32","0.13","293","2","293.15","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C13 H11 Br O2 S -","- C13 H11 Br O2 S -","- C52 H44 Br4 O8 S4 -","4","1","","Tang, Yani; Sun, Yuji; Liu, Jiyong; Duttwyler, Simon","Facile synthesis of enantioenriched phenol-sulfoxides and their aluminum complexes.","Organic & biomolecular chemistry","2016","14","24","5580","5585","10.1039/c6ob00136j","","","0.71073","MoKα","","0.0468","0.0334","","","0.0677","0.0737","","","","","","1.028","","","","has coordinates","183753","2020-10-21","18:00:00",""
"7155045","13.303","0.0011","10.8154","0.001","10.2401","0.0011","90","","109.676","0.011","90","","1387.3","0.2","293","2","293.15","","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C30 H30 O6 S2 -","- C30 H30 O6 S2 -","- C60 H60 O12 S4 -","2","0.5","","Tang, Yani; Sun, Yuji; Liu, Jiyong; Duttwyler, Simon","Facile synthesis of enantioenriched phenol-sulfoxides and their aluminum complexes.","Organic & biomolecular chemistry","2016","14","24","5580","5585","10.1039/c6ob00136j","","","0.71073","MoKα","","0.0464","0.0383","","","0.0943","0.1005","","","","","","1.046","","","","has coordinates","183753","2020-10-21","18:00:00",""
"7155046","9.8624","0.0006","8.7885","0.0005","10.6755","0.0006","90","","102.966","0.005","90","","901.71","0.09","193","2","193","2","","","","","","","","4","P 1 21 1","P 2yb","4","","(14S,15R)-14-deoxyoxacyclododecindione","","- C18 H23 Cl O6 -","- C18 H23 Cl O6 -","- C36 H46 Cl2 O12 -","2","1","","Tauber, Johannes; Rohr, Markus; Walter, Thorsten; Schollmeyer, Dieter; Rahn-Hotze, Karin; Erkel, Gerhard; Opatz, Till","A surprising switch in absolute configuration of anti-inflammatory macrolactones.","Organic & biomolecular chemistry","2016","14","15","3695","3698","10.1039/c6ob00430j","","","0.71073","MoKα","","0.069","0.0449","","","0.1022","0.126","","","","","","1.092","","","","has coordinates","182782","2020-10-21","18:00:00",""
"7155047","12.332","0.003","12.412","0.003","21.736","0.004","90.58","0.03","95.38","0.03","90","0.03","3312.2","1.3","123","2","123","2","","","","","","","","4","P 1","P 1","1","","","","- C32 H50 N4 O7 -","- C32 H50 N4 O7 -","- C128 H200 N16 O28 -","4","4","","Konda, Maruthi; Kauffmann, Brice; Rasale, Dnyaneshwar B.; Das, Apurba K.","Structural and morphological diversity of self-assembled synthetic γ-amino acid containing peptides.","Organic & biomolecular chemistry","2016","14","17","4089","4102","10.1039/c6ob00380j","","","1.54178","CuKα","","0.1339","0.1216","","","0.3687","0.3761","","","","","","1.506","","","","has coordinates","194155","2020-10-21","18:00:00",""
"7155048","11.493","0.002","17.104","0.003","18.432","0.004","90","","103.96","0.03","90","","3516.3","1.2","125","2","125","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C32 H52 N4 O9 -","- C32 H52 N4 O9 -","- C128 H208 N16 O36 -","4","2","","Konda, Maruthi; Kauffmann, Brice; Rasale, Dnyaneshwar B.; Das, Apurba K.","Structural and morphological diversity of self-assembled synthetic γ-amino acid containing peptides.","Organic & biomolecular chemistry","2016","14","17","4089","4102","10.1039/c6ob00380j","","","1.54178","CuKα","","0.0576","0.0527","","","0.1268","0.1299","","","","","","0.943","","","","has coordinates","194155","2020-10-21","18:00:00",""
"7155049","20.9","0.004","12.965","0.003","23.973","0.005","90","","100.04","0.03","90","","6396","2","120","2","120","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C58 H104 N8 O14 -","- C58 H104 N8 O14 -","- C232 H416 N32 O56 -","4","2","","Konda, Maruthi; Kauffmann, Brice; Rasale, Dnyaneshwar B.; Das, Apurba K.","Structural and morphological diversity of self-assembled synthetic γ-amino acid containing peptides.","Organic & biomolecular chemistry","2016","14","17","4089","4102","10.1039/c6ob00380j","","","1.54178","CuKα","","0.0645","0.0632","","","0.1738","0.1757","","","","","","1.023","","","","has coordinates,has disorder","182790","2020-10-21","18:00:00",""
"7155050","10.846","0.0013","11.5153","0.0015","14.8533","0.0018","90","","90","","90","","1855.1","0.4","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C19 H19 N O2 S2 -","- C19 H19 N O2 S2 -","- C76 H76 N4 O8 S8 -","4","1","","Wu, Shanchao; Li, Yu; Zhang, Yongqiang; Fang, Kun; Dong, Guoqiang; Liu, Na; Miao, Zhenyuan; Yao, Jianzhong; Wang, Wei; Zhang, Wannian; Sheng, Chunquan","Enantioselective organocatalytic Michael addition of isorhodanines to α,β-unsaturated aldehydes.","Organic & biomolecular chemistry","2016","14","16","3926","3933","10.1039/c5ob02457a","","","0.71073","MoKα","","0.0775","0.0395","","","0.1071","0.1408","","","","","","0.75","","","","has coordinates","182786","2020-10-21","18:00:00",""
"7155051","5.1957","0.0004","12.039","0.0009","12.8927","0.001","112.826","0.002","90.743","0.002","102.195","0.002","722.48","0.1","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","","","- C14 H18 N2 O6 -","- C14 H18 N2 O6 -","- C28 H36 N4 O12 -","2","1","","Naumovich, Yana A.; Buckland, Victoria Emily; Sen'ko, Dmitry A.; Nelyubina, Yulia V.; Khoroshutina, Yulia A.; Sukhorukov, Alexey Yu; Ioffe, Sema L.","Metal-assisted addition of a nitrate anion to bis(oxy)enamines. A general approach to the synthesis of α-nitroxy-oxime derivatives from nitronates.","Organic & biomolecular chemistry","2016","14","16","3963","3974","10.1039/c6ob00388e","","","0.71073","MoKα","","0.0609","0.0442","","","0.1313","0.1493","","","","","","1.009","","","","has coordinates","182788","2020-10-21","18:00:00",""
"7155052","13.301","0.003","13.892","0.004","6.7933","0.0016","90","","90","","90","","1255.2","0.5","293","2","293","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C15 H10 N4 O -","- C15 H10 N4 O -","- C60 H40 N16 O4 -","4","1","","Ranjith Kumar, Gadi; Kiran Kumar, Yalla; Kant, Ruchir; Sridhar Reddy, Maddi","Synthesis of benzofuranyl and indolyl methyl azides by tandem silver-catalyzed cyclization and azidation.","Organic & biomolecular chemistry","2016","14","17","4077","4088","10.1039/c6ob00191b","","","0.71075","MoKα","","0.0465","0.0363","","","0.0794","0.0825","","","","","","0.918","","","","has coordinates","211179","2020-10-21","18:00:00",""
"7155053","8.431","0.002","12.486","0.003","10.251","0.003","90","","90.558","0.005","90","","1079.1","0.5","293","","293","2","","","","","","","see text","5","P 1 21 1","P 2yb","4","","","","- C24 H22 N4 O2 S -","- C24 H22 N4 O2 S -","- C48 H44 N8 O4 S2 -","2","1","","Ranjith Kumar, Gadi; Kiran Kumar, Yalla; Kant, Ruchir; Sridhar Reddy, Maddi","Synthesis of benzofuranyl and indolyl methyl azides by tandem silver-catalyzed cyclization and azidation.","Organic & biomolecular chemistry","2016","14","17","4077","4088","10.1039/c6ob00191b","","","0.71075","MoKα","","0.0499","0.041","","","0.0925","0.0957","","","","","","0.948","","","","has coordinates","211179","2020-10-21","18:00:00",""
"7155054","10.596","0.0008","13.0323","0.001","15.0398","0.0011","89.548","0.002","69.846","0.002","82.38","0.002","1930.9","0.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C20 H20 Br Cl N2 O -","- C20 H20 Br Cl N2 O -","- C80 H80 Br4 Cl4 N8 O4 -","4","2","","Kuznetsov, N. Yu; Tikhov, R. M.; Godovikov, I. A.; Khrustalev, V. N.; Bubnov, Yu N.","New enolate-carbodiimide rearrangement in the concise synthesis of 6-amino-2,3-dihydro-4-pyridinones from homoallylamines.","Organic & biomolecular chemistry","2016","14","18","4283","4298","10.1039/c6ob00293e","","","0.71073","MoKα","","0.0766","0.0487","","","0.1136","0.1247","","","","","","1.001","","","","has coordinates,has disorder","182777","2020-10-21","18:00:00",""
"7155055","6.684","0.002","11.847","0.004","22.594","0.007","90","","90","","90","","1789.1","1","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C20 H19 Cl N2 O -","- C20 H19 Cl N2 O -","- C80 H76 Cl4 N8 O4 -","4","1","","Kuznetsov, N. Yu; Tikhov, R. M.; Godovikov, I. A.; Khrustalev, V. N.; Bubnov, Yu N.","New enolate-carbodiimide rearrangement in the concise synthesis of 6-amino-2,3-dihydro-4-pyridinones from homoallylamines.","Organic & biomolecular chemistry","2016","14","18","4283","4298","10.1039/c6ob00293e","","","0.71073","MoKα","","0.1784","0.0608","","","0.1131","0.1498","","","","","","1","","","","has coordinates","182777","2020-10-21","18:00:00",""
"7155056","10.928","0.0018","11.778","0.0019","13.075","0.002","87.909","0.003","87.569","0.003","77.316","0.002","1639.7","0.5","90","2","90","2","","","","","","","","5","P -1","-P 1","2","","","","- C36.5 H29 F6 N3 O3 -","- C36.5 H29 F6 N3 O3 -","- C73 H58 F12 N6 O6 -","2","1","","Patel, Alpa; Sharp, Swee Y.; Hall, Katelan; Lewis, William; Stevens, Malcolm F. G.; Workman, Paul; Moody, Christopher J.","Fused imidazoles as potential chemical scaffolds for inhibition of heat shock protein 70 and induction of apoptosis. Synthesis and biological evaluation of phenanthro[9,10-d]imidazoles and imidazo[4,5-f][1,10]phenanthrolines.","Organic & biomolecular chemistry","2016","14","16","3889","3905","10.1039/c6ob00471g","","","0.71073","MoKα","","0.0755","0.061","","","0.1636","0.1798","","","","","","1.041","","","","has coordinates,has disorder","182787","2020-10-21","18:00:00",""
"7155057","7.3173","0.0002","15.5645","0.0004","13.0802","0.0003","90","","90","","90","","1489.71","0.07","90","2","90","2","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- C22 H16 N2 -","- C22 H16 N2 -","- C88 H64 N8 -","4","1","","Patel, Alpa; Sharp, Swee Y.; Hall, Katelan; Lewis, William; Stevens, Malcolm F. G.; Workman, Paul; Moody, Christopher J.","Fused imidazoles as potential chemical scaffolds for inhibition of heat shock protein 70 and induction of apoptosis. Synthesis and biological evaluation of phenanthro[9,10-d]imidazoles and imidazo[4,5-f][1,10]phenanthrolines.","Organic & biomolecular chemistry","2016","14","16","3889","3905","10.1039/c6ob00471g","","","0.71073","MoKα","","0.03","0.0294","","","0.0788","0.0795","","","","","","1.058","","","","has coordinates","182787","2020-10-21","18:00:00",""
"7155058","12.5059","0.001","32.64","0.002","9.2776","0.0006","90","","93.765","0.007","90","","3778.9","0.5","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C23 H20 N2 O2 -","- C23 H20 N2 O2 -","- C184 H160 N16 O16 -","8","2","","Patel, Alpa; Sharp, Swee Y.; Hall, Katelan; Lewis, William; Stevens, Malcolm F. G.; Workman, Paul; Moody, Christopher J.","Fused imidazoles as potential chemical scaffolds for inhibition of heat shock protein 70 and induction of apoptosis. Synthesis and biological evaluation of phenanthro[9,10-d]imidazoles and imidazo[4,5-f][1,10]phenanthrolines.","Organic & biomolecular chemistry","2016","14","16","3889","3905","10.1039/c6ob00471g","","x-ray","1.54184","CuKα","","0.1334","0.0919","","","0.1916","0.2091","","","","","","1.135","","","","has coordinates","182787","2020-10-21","18:00:00",""
"7155059","7.46841","0.00017","5.90109","0.00011","32.1078","0.001","90","","91.971","0.003","90","","1414.21","0.06","110","2","110","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C19 H13 B N2 -","- C19 H13 B N2 -","- C76 H52 B4 N8 -","4","1","","van de Wouw, H. L.; Lee, J. Y.; Siegler, M. A.; Klausen, R. S.","Innocent BN bond substitution in anthracene derivatives.","Organic & biomolecular chemistry","2016","14","12","3256","3263","10.1039/c5ob02309b","","","1.54178","CuKα","","0.0554","0.0516","","","0.1498","0.1526","","","","","","1.09","","","","has coordinates","181519","2020-10-21","18:00:00",""
"7155060","7.35557","0.00013","5.95525","0.00011","31.4266","0.0006","90","","90.5796","0.0017","90","","1376.55","0.04","110","2","110","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H13 B N2 O2 -","- C18 H13 B N2 O2 -","- C72 H52 B4 N8 O8 -","4","1","","van de Wouw, H. L.; Lee, J. Y.; Siegler, M. A.; Klausen, R. S.","Innocent BN bond substitution in anthracene derivatives.","Organic & biomolecular chemistry","2016","14","12","3256","3263","10.1039/c5ob02309b","","","1.54178","CuKα","","0.0446","0.0404","","","0.1092","0.1138","","","","","","1.035","","","","has coordinates","181519","2020-10-21","18:00:00",""
"7155061","5.7178","0.0003","10.4187","0.0005","24.9522","0.0011","90","","90","","90","","1486.45","0.12","298","2","298","2","","","","","","","NA","4","P 21 21 21","P 2ac 2ab","19","NA","Benzimidazole nucleosides","","- C16 H18 N2 O3 -","- C16 H18 N2 O3 -","- C64 H72 N8 O12 -","4","1","","Sontakke, Vyankat A.; Lawande, Pravin P.; Kate, Anup N.; Khan, Ayesha; Joshi, Rakesh; Kumbhar, Anupa A.; Shinde, Vaishali S.","Antiproliferative activity of bicyclic benzimidazole nucleosides: synthesis, DNA-binding and cell cycle analysis.","Organic & biomolecular chemistry","2016","14","17","4136","4145","10.1039/c6ob00527f","","","0.71073","MoKα","","0.0742","0.058","","","0.1795","0.2029","","","","","","1.22","","","","has coordinates","182791","2020-10-21","18:00:00",""
"7155062","13.7554","0.0004","18.6455","0.0005","5.3891","0.0001","90","","90","","90","","1382.18","0.06","273","2","273","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","NA","Bicyclic benzimidazole nucleoside","","- C14 H13 Cl N2 O3 -","- C14 H15 Cl N2 O4 -","- C56 H60 Cl4 N8 O16 -","4","1","","Sontakke, Vyankat A.; Lawande, Pravin P.; Kate, Anup N.; Khan, Ayesha; Joshi, Rakesh; Kumbhar, Anupa A.; Shinde, Vaishali S.","Antiproliferative activity of bicyclic benzimidazole nucleosides: synthesis, DNA-binding and cell cycle analysis.","Organic & biomolecular chemistry","2016","14","17","4136","4145","10.1039/c6ob00527f","","","0.71073","MoKα","","0.0487","0.0388","","","0.1111","0.1328","","","","","","1.08","","","","has coordinates","182791","2020-10-21","18:00:00",""
"7155063","7.5256","0.0002","10.2095","0.0003","15.6299","0.0004","93.99","0.001","94.679","0.001","101.089","0.002","1170.07","0.06","296","2","296","2","","","","","","","","3","P -1","-P 1","2","","2,3-dimethyl 4-(4-methoxyphenyl)-2-(4-methylphenyl) -1-oxo-1,2-dihydronapthalene-2,3-dicarboxylate","","- C28 H24 O6 -","- C28 H24 O6 -","- C56 H48 O12 -","2","1","","Karunakaran, Jayachandran; Nandakumar, Meganathan; Senthil Kumar, Natarajan; Mohanakrishnan, Arasambattu K.","Synthetic transformation of 1,3-diarylisobenzofuran-DMAD adducts: a facile preparation of tri-substituted α-naphthols.","Organic & biomolecular chemistry","2016","14","18","4247","4259","10.1039/c6ob00628k","","","0.71073","MoKα","","0.0545","0.0415","","","0.1209","0.1328","","","","","","1.098","","","","has coordinates","182776","2020-10-21","18:00:00",""
"7155064","12.1263","0.0011","11.8009","0.0011","16.0657","0.0013","90","","100.181","0.002","90","","2262.8","0.3","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","ethyl 4-oxo-3-phenyl-1-(thiophen-2-yl)-3-(thiophen-3-yl)-3,4-dihydronaphthalene-2-carboxylate","","- C27 H20 O3 S2 -","- C27 H20 O3 S2 -","- C108 H80 O12 S8 -","4","1","","Karunakaran, Jayachandran; Nandakumar, Meganathan; Senthil Kumar, Natarajan; Mohanakrishnan, Arasambattu K.","Synthetic transformation of 1,3-diarylisobenzofuran-DMAD adducts: a facile preparation of tri-substituted α-naphthols.","Organic & biomolecular chemistry","2016","14","18","4247","4259","10.1039/c6ob00628k","","","0.71073","MoKα","","0.1019","0.0608","","","0.1233","0.1475","","","","","","1.093","","","","has coordinates,has disorder","288505","2023-12-22","15:12:04",""
"7155065","10.9268","0.001","18.967","0.0014","12.2628","0.0009","90","","93.03","0.002","90","","2537.9","0.4","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","2,3-dimethyl 1-oxo-2(pyren-4-yl)-4-(thiophen-2-yl)-1,2-dihydronaphthalene-2,3-dicarboxylate","","- C34 H22 O5 S -","- C34 H22 O5 S -","- C136 H88 O20 S4 -","4","1","","Karunakaran, Jayachandran; Nandakumar, Meganathan; Senthil Kumar, Natarajan; Mohanakrishnan, Arasambattu K.","Synthetic transformation of 1,3-diarylisobenzofuran-DMAD adducts: a facile preparation of tri-substituted α-naphthols.","Organic & biomolecular chemistry","2016","14","18","4247","4259","10.1039/c6ob00628k","","","0.71073","MoKα","","0.0611","0.0387","","","0.0888","0.1022","","","","","","1.037","","","","has coordinates,has disorder","288505","2023-12-22","15:12:04",""
"7155066","16.2811","0.0009","10.0247","0.0005","15.504","0.0009","90","","111.902","0.002","90","","2347.8","0.2","296","2","296","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","2,3-dimethyl4-(naphthalen-1-yl)-1-oxo-2-phenyl-1,2-dihydronaphthalene-2,3-dicarboxylate","","- C30 H22 O5 -","- C30 H22 O5 -","- C120 H88 O20 -","4","1","","Karunakaran, Jayachandran; Nandakumar, Meganathan; Senthil Kumar, Natarajan; Mohanakrishnan, Arasambattu K.","Synthetic transformation of 1,3-diarylisobenzofuran-DMAD adducts: a facile preparation of tri-substituted α-naphthols.","Organic & biomolecular chemistry","2016","14","18","4247","4259","10.1039/c6ob00628k","","","0.71073","MoKα","","0.0522","0.039","","","0.107","0.1192","","","","","","1.036","","","","has coordinates","182776","2020-10-21","18:00:00",""
"7155067","7.4725","0.0004","12.9073","0.0007","14.9503","0.0008","105.607","0.002","103.985","0.004","100.951","0.005","1296.5","0.13","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","2,3-dimethyl4-(5-hexylthiophen-2-yl)-1-oxo-2-phenyl-1,2-dihydronaphthalene-2,3-dicarboxylate","","- C30 H30 O5 S -","- C30 H30 O5 S -","- C60 H60 O10 S2 -","2","1","","Karunakaran, Jayachandran; Nandakumar, Meganathan; Senthil Kumar, Natarajan; Mohanakrishnan, Arasambattu K.","Synthetic transformation of 1,3-diarylisobenzofuran-DMAD adducts: a facile preparation of tri-substituted α-naphthols.","Organic & biomolecular chemistry","2016","14","18","4247","4259","10.1039/c6ob00628k","","","0.71073","MoKα","","0.0552","0.0398","","","0.1208","0.1409","","","","","","0.993","","","","has coordinates","288505","2023-12-22","15:12:04",""
"7155068","8.2596","0.0012","8.9504","0.0013","10.0044","0.0015","75.628","0.013","72.518","0.013","85.932","0.012","683.35","0.18","140","","140","","","","","","","","","4","P -1","-P 1","2","dimethyl quinoxaline dicarboxylate","Dimethyl 5,8-dimethylquinoxaline-2,3-dicarboxylate","","- C14 H14 N2 O4 -","- C14 H14 N2 O4 -","- C28 H28 N4 O8 -","2","1","","Sagar, A.; Vidaycharan, Shinde; Shinde, Anand H.; Sharada, Duddu S.","Hypervalent iodine(iii)-promoted N-incorporation into N-aryl vinylogous carbamates to quinoxaline diesters: access to 1,4,5,8-tetraazaphenanthrene.","Organic & biomolecular chemistry","2016","14","17","4018","4022","10.1039/c6ob00447d","","","1.54184","CuKα","","0.0977","0.063","","","0.178","0.2209","","","","","","1.1126","","","","has coordinates","182792","2020-10-21","18:00:00",""
"7155069","28.78","0.03","6.621","0.007","15.245","0.018","90","","106.775","0.015","90","","2781","5","294","2","294","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","7a-methyl-2-phenyl-2-(trifluoromethyl)-3a,4-dihydrobenzo[d][1,3]dioxol-5(7aH)-one","","- C15 H13 F3 O3 -","- C15 H13 F3 O3 -","- C120 H104 F24 O24 -","8","1","","Li, Feng; Wang, Jingjing; Xu, Mengmeng; Zhao, Xiaobo; Zhou, Xiaohong; Zhao, Wen-Xian; Liu, Lantao","Catalytic stereoselective cascade reactions of quinols with trifluoromethyl ketones: direct access to CF3-containing 1,3-dioxolanes.","Organic & biomolecular chemistry","2016","14","16","3981","3988","10.1039/c6ob00281a","","","0.71073","MoKα","","0.0833","0.0545","","","0.1312","0.1499","","","","","","1.055","","","","has coordinates","182789","2020-10-21","18:00:00",""
"7155070","11.9786","0.0015","12.3683","0.0016","12.7772","0.0017","76.842","0.002","66.138","0.002","62.478","0.002","1533.3","0.3","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C41 H32 N2 O2 -","- C41 H32 N2 O2 -","- C82 H64 N4 O4 -","2","1","","Wang, Wen-Bo; Zhu, Yan-Shuo; Guo, Sheng-Qiang; Wang, Qi-Lin; Bu, Zhan-Wei","A FeCl3-catalyzed highly regioselective 1,2-addition/substitution sequence for the construction of coumarin-substituted bis(indolyl)methanes.","Organic & biomolecular chemistry","2016","14","19","4420","4425","10.1039/c6ob00515b","","","0.71073","MoKα","","0.0533","0.0416","","","0.118","0.1292","","","","","","1.026","","","","has coordinates","183782","2020-10-21","18:00:00",""
"7155071","12.3797","0.0013","27.177","0.003","7.8604","0.0008","90","","98.193","0.002","90","","2617.6","0.5","115","","115","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C33 H19 B N6 O2 -","- C33 H19 B N6 O2 -","- C132 H76 B4 N24 O8 -","4","1","","Bernhard, Yann; Gigot, Elodie; Goncalves, Victor; Moreau, Mathieu; Sok, Nicolas; Richard, Philippe; Decréau, Richard A","Direct subphthalocyanine conjugation to bombesin vs. indirect conjugation to its lipidic nanocarrier.","Organic & biomolecular chemistry","2016","14","19","4511","4518","10.1039/c6ob00530f","","x-ray","0.71073","MoKα","","0.059","0.048","","","0.1217","0.1298","","","","","","1.052","","","","has coordinates","183783","2020-10-21","18:00:00",""
"7155072","8.3931","0.0006","12.0705","0.0007","19.3724","0.001","90","","95.807","0.005","90","","1952.5","0.2","295.06","0.1","295","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H22 N O5 P -","- C20 H22 N O5 P -","- C80 H88 N4 O20 P4 -","4","1","","Zhou, Zhao-Zhao; Zheng, Lan; Yan, Xiao-Biao; Jin, Dong-Po; He, Yu-Tao; Liang, Yong-Min","Silver-promoted cinnamamidyl radical-mediated oxidative cascade cyclization: highly regioselective synthesis of phosphorylated azaspiro[4.5]decenones.","Organic & biomolecular chemistry","2016","14","19","4507","4510","10.1039/c6ob00505e","","x-ray","0.71","MoKα","","0.1029","0.0592","","","0.1415","0.1785","","","","","","1.034","","","","has coordinates","183784","2020-10-21","18:00:00",""
"7155073","8.7753","0.0001","21.3925","0.0002","12.0847","0.0001","90","","107.293","0.0012","90","","2166.06","0.04","150","","150","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C12 H19 N O4 S -","- C12 H19 N O4 S -","- C72 H114 N6 O24 S6 -","6","3","","Panduwawala, Tharindi D.; Iqbal, Sarosh; Tirfoin, Rémi; Moloney, Mark G.","Chemoselectivity and stereoselectivity of cyclisation pathways leading to bicyclic tetramates controlled by ring-chain tautomerisation in thiazolidines.","Organic & biomolecular chemistry","2016","14","19","4464","4478","10.1039/c6ob00557h","","","1.5418","CuKα","","0.0293","0.0283","","0.0734","0.0723","0.0734","","","","","","0.9994","","","","has coordinates","183785","2020-10-21","18:00:00",""
"7155074","8.8135","0.0007","9.3935","0.0009","11.2015","0.001","78.735","0.008","81.657","0.007","85.426","0.007","898.61","0.14","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H20 N O8 P -","- C16 H20 N O8 P -","- C32 H40 N2 O16 P2 -","2","1","","Smetanin, Ilia A.; Novikov, Mikhail S.; Agafonova, Anastasiya V.; Rostovskii, Nikolai V.; Khlebnikov, Alexander F.; Kudryavtsev, Igor V.; Terpilowski, Maxim A.; Serebriakova, Maria K.; Trulioff, Andrey S.; Goncharov, Nikolay V.","A novel strategy for the synthesis of thermally stable and apoptosis-inducing 2,3-dihydroazetes.","Organic & biomolecular chemistry","2016","14","19","4479","4487","10.1039/c6ob00588h","","","0.7107","MoKα","","0.046","0.0377","","","0.0924","0.0982","","","","","","1.03","","","","has coordinates","183786","2020-10-21","18:00:00",""
"7155075","9.47048","0.00018","8.60587","0.00017","18.2016","0.0004","90","","98.1319","0.0017","90","","1468.55","0.05","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C15 H15 N O6 -","- C15 H15 N O6 -","- C60 H60 N4 O24 -","4","1","","Smetanin, Ilia A.; Novikov, Mikhail S.; Agafonova, Anastasiya V.; Rostovskii, Nikolai V.; Khlebnikov, Alexander F.; Kudryavtsev, Igor V.; Terpilowski, Maxim A.; Serebriakova, Maria K.; Trulioff, Andrey S.; Goncharov, Nikolay V.","A novel strategy for the synthesis of thermally stable and apoptosis-inducing 2,3-dihydroazetes.","Organic & biomolecular chemistry","2016","14","19","4479","4487","10.1039/c6ob00588h","","","1.5418","CuKα","","0.0353","0.0322","","","0.0798","0.0827","","","","","","1.046","","","","has coordinates","183786","2020-10-21","18:00:00",""
"7155076","9.4276","0.0005","11.2761","0.0009","11.6981","0.001","112.674","0.008","90.151","0.005","96.976","0.005","1137.32","0.16","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","","","- C31 H22 N2 O2 -","- C31 H22 N2 O2 -","- C62 H44 N4 O4 -","2","1","","Tulichala, R. N. Prasad; Swamy, K. C. Kumara","Reactivity of alkynylindole-2-carboxamides in [Pd]-catalysed C-H activation and phase transfer catalysis: formation of pyrrolo-diindolones vs. β-carbolinones.","Organic & biomolecular chemistry","2016","14","19","4519","4533","10.1039/c6ob00583g","","","1.54184","CuKα","","0.0579","0.0449","","","0.1166","0.129","","","","","","1.029","","","","has coordinates","183787","2020-10-21","18:00:00",""
"7155077","11.5059","0.0004","12.8459","0.0006","15.602","0.0008","106.081","0.004","93.226","0.004","109.728","0.004","2056.95","0.18","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","","","- C26 H22 N2 O2 -","- C26 H22 N2 O2 -","- C104 H88 N8 O8 -","4","2","","Tulichala, R. N. Prasad; Swamy, K. C. Kumara","Reactivity of alkynylindole-2-carboxamides in [Pd]-catalysed C-H activation and phase transfer catalysis: formation of pyrrolo-diindolones vs. β-carbolinones.","Organic & biomolecular chemistry","2016","14","19","4519","4533","10.1039/c6ob00583g","","","1.54184","CuKα","","0.06","0.0488","","","0.1277","0.1402","","","","","","1.034","","","","has coordinates","183787","2020-10-21","18:00:00",""
"7155078","11.3239","0.0005","12.888","0.0007","25.7528","0.0011","90","","90","","90","","3758.4","0.3","99.97","0.15","99.97","0.15","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C38 H34 B2 N4 O6 -","- C38 H34 B2 N4 O6 -","- C152 H136 B8 N16 O24 -","4","1","","Liu, Bowen; Novikova, Nina; Simpson, M. Cather; Timmer, Mattie S. M.; Stocker, Bridget L.; Söhnel, Tilo; Ware, David C.; Brothers, Penelope J.","Lighting up sugars: fluorescent BODIPY-gluco-furanose and -septanose conjugates linked by direct B-O-C bonds.","Organic & biomolecular chemistry","2016","14","23","5205","5209","10.1039/c6ob00726k","","x-ray","1.54184","CuKα","","0.0534","0.0482","","","0.129","0.1326","","","","","","0.998","","","","has coordinates","183778","2020-10-21","18:00:00",""
"7155079","37.5988","0.0015","14.8713","0.0006","8.2281","0.0003","90","","93.381","0.003","90","","4592.7","0.3","100","2","100","2","","","","","","","","5","C 1 2 1","C 2y","5","1:1 ?-glucofuranose BODIPY ester","","","- C44 H46 B2 N4 O17 -","- C44 H46 B2 N4 O17 -","- C176 H184 B8 N16 O68 -","4","1","","Liu, Bowen; Novikova, Nina; Simpson, M. Cather; Timmer, Mattie S. M.; Stocker, Bridget L.; Söhnel, Tilo; Ware, David C.; Brothers, Penelope J.","Lighting up sugars: fluorescent BODIPY-gluco-furanose and -septanose conjugates linked by direct B-O-C bonds.","Organic & biomolecular chemistry","2016","14","23","5205","5209","10.1039/c6ob00726k","","","0.71073","MoKα","","0.092","0.0871","","","0.2318","0.2389","","","","","","1.081","","","","has coordinates","183778","2020-10-21","18:00:00",""
"7155080","5.6525","0.0014","7.679","0.002","32.488","0.009","90","","90","","90","","1410.2","0.6","173.15","","173.15","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C14 H19 N O6 -","- C14 H19 N O6 -","- C56 H76 N4 O24 -","4","1","","Qian, Bao-Chen; Kamori, Akiko; Kinami, Kyoko; Kato, Atsushi; Li, Yi-Xian; Fleet, George W. J.; Yu, Chu-Yi","Epimerization of C5 of an N-hydroxypyrrolidine in the synthesis of swainsonine related iminosugars.","Organic & biomolecular chemistry","2016","14","19","4488","4498","10.1039/c6ob00531d","","","0.71073","MoKα","","0.035","0.0337","","","0.0726","0.0733","","","","","","1.117","","","","has coordinates","183781","2020-10-21","18:00:00",""
"7155081","5.5868","0.0004","6.1938","0.0004","31.33","0.002","90","","90","","90","","1084.13","0.13","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C9 H13 N O6 S -","- C9 H13 N O6 S -","- C36 H52 N4 O24 S4 -","4","1","","Wuttke, André; Fischer, Sebastian Nils; Nebel, Annika; Marsch, Michael; Geyer, Armin","Improved δ-valerolactam templates for the assembly of Aβ-miniamyloids by boronic ester formation.","Organic & biomolecular chemistry","2016","14","22","5032","5048","10.1039/c6ob00565a","","","0.71073","MoKα","","0.0306","0.0267","","","0.0595","0.061","","","","","","1.059","","","","has coordinates","183752","2020-10-21","18:00:00",""
"7155082","23.8066","0.0009","5.4476","0.0002","10.6667","0.0004","90","","109.766","0.001","90","","1301.85","0.08","100","2","100","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C9 H12 N4 O7 S -","- C9 H12 N4 O7 S -","- C36 H48 N16 O28 S4 -","4","1","","Wuttke, André; Fischer, Sebastian Nils; Nebel, Annika; Marsch, Michael; Geyer, Armin","Improved δ-valerolactam templates for the assembly of Aβ-miniamyloids by boronic ester formation.","Organic & biomolecular chemistry","2016","14","22","5032","5048","10.1039/c6ob00565a","","","0.71073","MoKα","","0.0243","0.0232","","","0.0578","0.0584","","","","","","1.072","","","","has coordinates","204124","2020-10-21","18:00:00",""
"7155083","5.813","0.009","9.696","0.014","11.51","0.02","90","","97.53","0.05","90","","643.1","1.8","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C11 H16 N2 O6 S -","- C11 H16 N2 O6 S -","- C22 H32 N4 O12 S2 -","2","1","","Wuttke, André; Fischer, Sebastian Nils; Nebel, Annika; Marsch, Michael; Geyer, Armin","Improved δ-valerolactam templates for the assembly of Aβ-miniamyloids by boronic ester formation.","Organic & biomolecular chemistry","2016","14","22","5032","5048","10.1039/c6ob00565a","","","0.71073","MoKα","","0.0757","0.0604","","","0.139","0.1454","","","","","","1.03","","","","has coordinates","183752","2020-10-21","18:00:00",""
"7155084","6.2462","0.0004","9.5487","0.0007","20.1585","0.0015","90","","90","","90","","1202.32","0.15","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C9 H12 N4 O5 S -","- C9 H12 N4 O5 S -","- C36 H48 N16 O20 S4 -","4","1","","Wuttke, André; Fischer, Sebastian Nils; Nebel, Annika; Marsch, Michael; Geyer, Armin","Improved δ-valerolactam templates for the assembly of Aβ-miniamyloids by boronic ester formation.","Organic & biomolecular chemistry","2016","14","22","5032","5048","10.1039/c6ob00565a","","","0.71073","MoKα","","0.0445","0.0354","","","0.0788","0.0833","","","","","","1.059","","","","has coordinates","183752","2020-10-21","18:00:00",""
"7155085","6.4782","0.0003","9.8389","0.0004","28.471","0.0012","90","","90","","90","","1814.69","0.14","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C17 H19 B N2 O7 S -","- C17 H19 B N2 O7 S -","- C68 H76 B4 N8 O28 S4 -","4","1","","Wuttke, André; Fischer, Sebastian Nils; Nebel, Annika; Marsch, Michael; Geyer, Armin","Improved δ-valerolactam templates for the assembly of Aβ-miniamyloids by boronic ester formation.","Organic & biomolecular chemistry","2016","14","22","5032","5048","10.1039/c6ob00565a","","","0.71073","MoKα","","0.0474","0.0376","","","0.0742","0.0771","","","","","","1.041","","","","has coordinates","183752","2020-10-21","18:00:00",""
"7155086","11.8465","0.0005","23.7593","0.001","6.5189","0.0003","90","","90","","90","","1834.84","0.14","140","2","140","2","","","","","","","plant","3","P 21 21 21","P 2ac 2ab","19","","(4S,5S,9S,10R)-13,14-seco-13-oxo-18-hydroxy-ent-abieta-7-en-14- oic acid","","- C20 H32 O4 -","- C20 H32 O4 -","- C80 H128 O16 -","4","1","","Xiong, Juan; Hong, Zhi-Lai; Xu, Peng; Zou, Yike; Yu, Shang-Bo; Yang, Guo-Xun; Hu, Jin-Feng","ent-Abietane diterpenoids with anti-neuroinflammatory activity from the rare Chloranthaceae plant Chloranthus oldhamii.","Organic & biomolecular chemistry","2016","14","20","4678","4689","10.1039/c6ob00731g","","","1.54178","CuKα","","0.0625","0.057","","","0.158","0.1632","","","","","","1.016","","","","has coordinates","183771","2020-10-21","18:00:00",""
"7155087","14.6923","0.0014","5.7956","0.0006","18.3537","0.0017","90","","103.638","0.007","90","","1518.8","0.3","296","2","296","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C19 H16 O4 -","- C19 H16 O4 -","- C76 H64 O16 -","4","1","","Bhunia, Anup; Yetra, Santhivardhana Reddy; Gonnade, Rajesh G.; Biju, Akkattu T.","Synthesis of 4H-chromenes by an unexpected, K3PO4-mediated intramolecular Rauhut-Currier type reaction.","Organic & biomolecular chemistry","2016","14","24","5612","5616","10.1039/c6ob00654j","","","0.71073","MoKα","","0.0697","0.0462","","","0.1054","0.118","","","","","","1.056","","","","has coordinates","183761","2020-10-21","18:00:00",""
"7155088","6.07","0.001","21.309","0.003","14.389","0.002","90","","93.273","0.002","90","","1858.1","0.5","200","2","200","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C25 H20 O3 -","- C25 H20 O3 -","- C100 H80 O12 -","4","1","","Bhunia, Anup; Yetra, Santhivardhana Reddy; Gonnade, Rajesh G.; Biju, Akkattu T.","Synthesis of 4H-chromenes by an unexpected, K3PO4-mediated intramolecular Rauhut-Currier type reaction.","Organic & biomolecular chemistry","2016","14","24","5612","5616","10.1039/c6ob00654j","","","0.71073","MoKα","","0.0423","0.0378","","","0.0949","0.0987","","","","","","1.053","","","","has coordinates","183761","2020-10-21","18:00:00",""
"7155089","5.808","0.0007","29.856","0.004","9.5397","0.0011","90","","90.185","0.007","90","","1654.2","0.4","296","2","296","2","","","","","","","synthesis","4","P 1 21 1","P 2yb","4","triazolyl","triazolyl","","- C18 H19 N3 O4 -","- C18 H19 N3 O4 -","- C72 H76 N12 O16 -","4","2","","Bag, Subhendu Sekhar; Talukdar, Sangita; Das, Suman Kalyan; Pradhan, Manoj Kumar; Mukherjee, Soumen","Donor/acceptor chromophores-decorated triazolyl unnatural nucleosides: synthesis, photophysical properties and study of interaction with BSA.","Organic & biomolecular chemistry","2016","14","22","5088","5108","10.1039/c6ob00500d","","x-ray","0.71073","MoKα","","0.0881","0.0478","","","0.0913","0.1066","","","","","","0.989","","","","has coordinates","183749","2020-10-21","18:00:00",""
"7155090","6.4456","0.0007","9.8102","0.0008","21.821","0.0019","90","","90","","90","","1379.8","0.2","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","triazolyl","triazolyl","","- C13 H14 N4 O5 -","- C13 H14 N4 O5 -","- C52 H56 N16 O20 -","4","1","","Bag, Subhendu Sekhar; Talukdar, Sangita; Das, Suman Kalyan; Pradhan, Manoj Kumar; Mukherjee, Soumen","Donor/acceptor chromophores-decorated triazolyl unnatural nucleosides: synthesis, photophysical properties and study of interaction with BSA.","Organic & biomolecular chemistry","2016","14","22","5088","5108","10.1039/c6ob00500d","","x-ray","0.71073","MoKα","","0.1109","0.0509","","","0.0965","0.1143","","","","","","0.933","","","","has coordinates","183749","2020-10-21","18:00:00",""
"7155091","8.0136","0.0016","10.278","0.002","13.463","0.003","70.38","0.03","86.42","0.03","78.55","0.03","1023.7","0.4","296","2","296","2","","","","","","","","3","P -1","-P 1","2","","","","- C23 H32 O3 -","- C23 H32 O3 -","- C46 H64 O6 -","2","1","","Zhao, Yi-Shuang; Tang, Xiao-Qi; Tao, Jing-Chao; Tian, Ping; Lin, Guo-Qiang","Efficient access to cis-decalinol frameworks: copper(i)-catalyzed borylative cyclization of allene cyclohexanediones.","Organic & biomolecular chemistry","2016","14","19","4400","4404","10.1039/c6ob00804f","","","1.54178","CuKα","","0.0459","0.0441","","","0.1229","0.125","","","","","","1.053","","","","has coordinates","183788","2020-10-21","18:00:00",""
"7155092","10.555","0.002","7.2517","0.0015","18.652","0.004","90","","101.9","0.03","90","","1397","0.5","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H21 B O3 -","- C15 H21 B O3 -","- C60 H84 B4 O12 -","4","1","","Zhao, Yi-Shuang; Tang, Xiao-Qi; Tao, Jing-Chao; Tian, Ping; Lin, Guo-Qiang","Efficient access to cis-decalinol frameworks: copper(i)-catalyzed borylative cyclization of allene cyclohexanediones.","Organic & biomolecular chemistry","2016","14","19","4400","4404","10.1039/c6ob00804f","","","1.54178","CuKα","","0.0405","0.0398","","","0.1055","0.1061","","","","","","1.052","","","","has coordinates","183788","2020-10-21","18:00:00",""
"7155093","26.3331","0.0015","6.7154","0.0004","12.9775","0.0007","90","","101.913","0.003","90","","2245.5","0.2","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","4gip233b","4gip233b","","- C23 H29 N3 O6 -","- C23 H29 N3 O6 -","- C92 H116 N12 O24 -","4","1","","Kensy, Victoria K.; Peterson, Gregory I.; Church, Derek C.; Yakelis, Neal A.; Boydston, Andrew J.","Investigation of the dynamic nature of 1,2-oxazines derived from peralkylcyclopentadiene and nitrosocarbonyl species.","Organic & biomolecular chemistry","2016","14","24","5617","5621","10.1039/c6ob00400h","","","0.71073","MoKα","","0.0791","0.0417","","","0.0885","0.102","","","","","","1.009","","","","has coordinates","183755","2020-10-21","18:00:00",""
"7155094","11.526","0.005","22.824","0.005","8.601","0.005","90","0.005","96.987","0.005","90","0.005","2245.9","1.7","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","4gip233a","4gip233a","","- C23 H29 N3 O6 -","- C23 H29 N3 O6 -","- C92 H116 N12 O24 -","4","1","","Kensy, Victoria K.; Peterson, Gregory I.; Church, Derek C.; Yakelis, Neal A.; Boydston, Andrew J.","Investigation of the dynamic nature of 1,2-oxazines derived from peralkylcyclopentadiene and nitrosocarbonyl species.","Organic & biomolecular chemistry","2016","14","24","5617","5621","10.1039/c6ob00400h","","","0.71073","MoKα","","0.0686","0.0581","","","0.1371","0.1422","","","","","","1.13","","","","has coordinates","183755","2020-10-21","18:00:00",""
"7155095","11.592","0.002","11.7363","0.0013","11.788","0.0013","118.728","0.001","104.041","0.002","100.602","0.002","1276.3","0.3","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C23 H30 Cl N O2 S Si2 -","- C23 H30 Cl N O2 S Si2 -","- C46 H60 Cl2 N2 O4 S2 Si4 -","2","1","","Karmakar, Rajdip; Wang, Kung-Pern; Yun, Sang Young; Mamidipalli, Phani; Lee, Daesung","Hydrohalogenative aromatization of multiynes promoted by ruthenium alkylidene complexes.","Organic & biomolecular chemistry","2016","14","21","4782","4788","10.1039/c6ob00524a","","","0.71073","MoKα","","0.0346","0.0284","","","0.1189","0.1314","","","","","","1.072","","","","has coordinates","183774","2020-10-21","18:00:00",""
"7155096","10.9257","0.0005","12.2016","0.0004","12.7292","0.0004","111.624","0.003","97.49","0.003","110.94","0.004","1404.62","0.12","180","2","180","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H31 F3 N2 O7 -","- C30 H31 F3 N2 O7 -","- C60 H62 F6 N4 O14 -","2","1","","Pascal, Simon; Besnard, Céline; Zinna, Francesco; Di Bari, Lorenzo; Le Guennic, Boris; Jacquemin, Denis; Lacour, Jérôme","Zwitterionic [4]helicene: a water-soluble and reversible pH-triggered ECD/CPL chiroptical switch in the UV and red spectral regions.","Organic & biomolecular chemistry","2016","14","20","4590","4594","10.1039/c6ob00752j","","x-ray","1.5418","CuKα","","0.0514","0.0465","","","0.1259","0.1309","","","","","","1.061","","","","has coordinates,has disorder","183770","2020-10-21","18:00:00",""
"7155097","12.454","0.0009","10.0078","0.0003","16.746","0.0008","90","","109.346","0.008","90","","1969.3","0.2","106.1","","106.1","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","hydrazine 4ab","diethyl 1-(1-chloroethanesulfonyl)-2-(4-nitrobenzoyl)hydrazine-1,2-dicarboxylate","","- C15 H18 Cl N3 O9 S -","- C15 H18 Cl N3 O9 S -","- C60 H72 Cl4 N12 O36 S4 -","4","1","","Zhou, Bingnan; Xu, Jiaxi","Tertiary amine-catalyzed and direct synthesis of α-chloroalkanesulfonylhydrazines from azodicarboxylates and sulfonyl chlorides.","Organic & biomolecular chemistry","2016","14","21","4918","4926","10.1039/c6ob00648e","","","0.7107","MoKα","","0.0692","0.0572","","","0.1348","0.1418","","","","","","1.067","","","","has coordinates,has disorder","183775","2020-10-21","18:00:00",""
"7155098","10.3564","0.0013","12.0563","0.0015","14.1956","0.0018","69.77","0.005","82.139","0.006","68.496","0.005","1547.3","0.3","150","","150","","","","","","","","","6","P -1","-P 1","2","","Benzyl 2-diethoxyphosphoryloxy-2,3-diphenyl-3-(N-tosylamino)propioate","","- C33 H36 N O8 P S -","- C33 H36 N O8 P S -","- C66 H72 N2 O16 P2 S2 -","2","1","","Kondoh, Azusa; Terada, Masahiro","Brønsted base-catalyzed three-component coupling reaction of α-ketoesters, imines, and diethyl phosphite utilizing [1,2]-phospha-Brook rearrangement.","Organic & biomolecular chemistry","2016","14","20","4704","4711","10.1039/c6ob00739b","","","0.71075","MoKα","","0.073","0.0627","","","0.1554","0.1641","","","","","","1.041","","","","has coordinates","183772","2020-10-21","18:00:00",""
"7155099","9.2124","0.0017","24.401","0.005","12.236","0.002","90","","91.337","0.006","90","","2749.8","0.9","150","","150","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Benzyl 2-diethoxyphosphoryloxy-4-nitro-2,3-diphenylbutanoate","","- C27 H30 N O8 P -","- C27 H30 N O8 P -","- C108 H120 N4 O32 P4 -","4","1","","Kondoh, Azusa; Terada, Masahiro","Brønsted base-catalyzed three-component coupling reaction of α-ketoesters, imines, and diethyl phosphite utilizing [1,2]-phospha-Brook rearrangement.","Organic & biomolecular chemistry","2016","14","20","4704","4711","10.1039/c6ob00739b","","","0.71075","MoKα","","0.0597","0.0482","","","0.1077","0.1137","","","","","","1.074","","","","has coordinates","183772","2020-10-21","18:00:00",""
"7155100","13.7074","0.0004","16.534","0.0005","7.8722","0.0002","90","","103.803","0.002","90","","1732.62","0.09","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2-(2,6-dimethylphenyl)-9-methyl-2H-pyrazino[1,2-b]isoquinoline-1,4(3H,6H)-dione","","- C21 H20 N2 O2 -","- C21 H20 N2 O2 -","- C84 H80 N8 O8 -","4","1","","Hernández-Vázquez, Eduardo; Miranda, Luis D.","Practical synthesis and cytotoxic evaluation of the pyrazino[1,2-b]-isoquinoline ring system.","Organic & biomolecular chemistry","2016","14","21","4875","4884","10.1039/c6ob00431h","","","0.71073","MoKα","","0.1155","0.05","","","0.1121","0.1404","","","","","","0.912","","","","has coordinates","183777","2020-10-21","18:00:00",""
"7155101","6.0126","0.0002","8.6199","0.0002","14.4875","0.0004","87.165","0.001","79.597","0.001","86.91","0.001","736.84","0.04","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","2-benzyl‒2H-pyrazino[1,2-b]isoquinoline-1,4(3H,6H)-dione","","- C19 H16 N2 O2 -","- C19 H16 N2 O2 -","- C38 H32 N4 O4 -","2","1","","Hernández-Vázquez, Eduardo; Miranda, Luis D.","Practical synthesis and cytotoxic evaluation of the pyrazino[1,2-b]-isoquinoline ring system.","Organic & biomolecular chemistry","2016","14","21","4875","4884","10.1039/c6ob00431h","","","0.71073","MoKα","","0.0585","0.0395","","","0.1018","0.1134","","","","","","1.038","","","","has coordinates,has disorder","183777","2020-10-21","18:00:00",""
"7155102","14.7051","0.0013","7.9191","0.0007","26.746","0.002","90","","93.6625","0.0013","90","","3108.2","0.5","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C16 H13 Cl2 N O4 -","- C16 H13 Cl2 N O4 -","- C128 H104 Cl16 N8 O32 -","8","1","","Karak, Milandip; Barbosa, Luiz C. A.; Acosta, Jaime A. M.; Sarotti, Ariel M.; Boukouvalas, John","Thermodynamically driven, syn-selective vinylogous aldol reaction of tetronamides.","Organic & biomolecular chemistry","2016","14","21","4897","4907","10.1039/c6ob00895j","","","0.71073","MoKα","","0.0441","0.0334","","","0.0759","0.0816","","","","","","1.05","","","","has coordinates","183776","2020-10-21","18:00:00",""
"7155103","12.8328","0.0002","26.5383","0.0004","9.2577","0.0001","90","","90","","90","","3152.81","0.08","100","","100","","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C16 H13 Cl2 N O4 -","- C16 H13 Cl2 N O4 -","- C128 H104 Cl16 N8 O32 -","8","1","","Karak, Milandip; Barbosa, Luiz C. A.; Acosta, Jaime A. M.; Sarotti, Ariel M.; Boukouvalas, John","Thermodynamically driven, syn-selective vinylogous aldol reaction of tetronamides.","Organic & biomolecular chemistry","2016","14","21","4897","4907","10.1039/c6ob00895j","","x-ray","1.54178","CuKα","","0.0307","0.0307","","","0.0805","0.0806","","","","","","1.067","","","","has coordinates","183776","2020-10-21","18:00:00",""
"7155104","17.381","0.003","13.319","0.002","18.156","0.003","90","","90","","90","","4203.1","1.2","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C24 H25 O5 P -","- C24 H25 O5 P -","- C192 H200 O40 P8 -","8","1","","Koppanathi, Nagaraju; Swamy, K. C. Kumara","Regioselective carboannulation of electron-deficient allenes with dialkyl (2-formylphenyl)malonates leading to multisubstituted naphthalenes.","Organic & biomolecular chemistry","2016","14","22","5079","5087","10.1039/c6ob00787b","","","0.71073","MoKα","","0.0777","0.0487","","","0.1147","0.1328","","","","","","0.954","","","","has coordinates","183748","2020-10-21","18:00:00",""
"7155105","10.0372","0.0004","13.0997","0.0005","15.0079","0.0005","90","","90","","90","","1973.3","0.13","100","2","100","2","","","","","","","stable","3","P 21 21 21","P 2ac 2ab","19","","(R,E)-2-(1-oxo-1-phenylpropan-2-ylidene)-4-phenyl-1,10b-dihydro-2H,5H-pyrano[3,4-c]chromen-5-one","","- C27 H20 O4 -","- C27 H20 O4 -","- C108 H80 O16 -","4","1","","Han, Xiaoyu; Ni, Huanzhen; Chan, Wai-Lun; Gai, Xikun; Wang, Yongjiang; Lu, Yixin","Highly enantioselective synthesis of dihydrocoumarin-fused dihydropyrans via the phosphine-catalyzed [4 + 2] annulation of allenones with 3-aroylcoumarins.","Organic & biomolecular chemistry","2016","14","22","5059","5064","10.1039/c6ob00955g","","","1.54178","CuKα","","0.0305","0.0302","","","0.0793","0.0796","","","","","","1.06","","","","has coordinates","183750","2020-10-21","18:00:00",""
"7155106","9.7777","0.0006","14.7275","0.0009","18.3746","0.0013","94.956","0.003","98.625","0.003","90.324","0.003","2605.8","0.3","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C14 H11 I N2 -","- C14 H11 I N2 -","- C112 H88 I8 N16 -","8","4","","Samanta, Sadhanendu; Jana, Sourav; Mondal, Susmita; Monir, Kamarul; Chandra, Swapan K.; Hajra, Alakananda","Switching the regioselectivity in the copper-catalyzed synthesis of iodoimidazo[1,2-a]pyridines.","Organic & biomolecular chemistry","2016","14","22","5073","5078","10.1039/c6ob00656f","","","0.71073","MoKα","","0.1163","0.0729","","","0.2179","0.2551","","","","","","1.65","","","","has coordinates","183751","2020-10-21","18:00:00",""
"7155107","8.2657","0.0004","14.1996","0.0006","21.2896","0.0009","90","","90","","90","","2498.75","0.19","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C14 H11 I N2 -","- C14 H11 I N2 -","- C112 H88 I8 N16 -","8","2","","Samanta, Sadhanendu; Jana, Sourav; Mondal, Susmita; Monir, Kamarul; Chandra, Swapan K.; Hajra, Alakananda","Switching the regioselectivity in the copper-catalyzed synthesis of iodoimidazo[1,2-a]pyridines.","Organic & biomolecular chemistry","2016","14","22","5073","5078","10.1039/c6ob00656f","","","0.71073","MoKα","","0.0453","0.0395","","","0.1181","0.1313","","","","","","1.147","","","","has coordinates","183751","2020-10-21","18:00:00",""
"7155108","10.5054","0.0006","13.8935","0.0009","14.8405","0.001","102.826","0.004","105.411","0.004","94.441","0.004","2014.5","0.2","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C15 H9 I N2 S -","- C15 H9 I N2 S -","- C90 H54 I6 N12 S6 -","6","3","","Samanta, Sadhanendu; Jana, Sourav; Mondal, Susmita; Monir, Kamarul; Chandra, Swapan K.; Hajra, Alakananda","Switching the regioselectivity in the copper-catalyzed synthesis of iodoimidazo[1,2-a]pyridines.","Organic & biomolecular chemistry","2016","14","22","5073","5078","10.1039/c6ob00656f","","","0.71073","MoKα","","0.1079","0.048","","","0.1332","0.1859","","","","","","1.065","","","","has coordinates","183751","2020-10-21","18:00:00",""
"7155109","8.805","0.003","9.007","0.004","10.923","0.004","67.435","0.009","78.145","0.009","73.817","0.01","763.5","0.5","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C18 H18 N2 O2 -","- C18 H18 N2 O2 -","- C36 H36 N4 O4 -","2","1","","Chen, Tingting; Cai, Chun","Imidazolylpyridine-In(OTf)3 catalyzed enantioselective allylation of ketimines derived from isatins.","Organic & biomolecular chemistry","2016","14","22","5019","5022","10.1039/c6ob00551a","","","0.71073","MoKα","","0.0824","0.0776","","","0.2292","0.2368","","","","","","1.062","","","","has coordinates","183747","2020-10-21","18:00:00",""
"7155110","8.4625","0.0004","22.0335","0.0009","33.7885","0.0014","90","","90.083","0.001","90","","6300.1","0.5","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C23 H20 N2 O4 S2 -","- C23 H20 N2 O4 S2 -","- C276 H240 N24 O48 S24 -","12","3","","Zhang, Xiaolei; Wu, Rui; Liu, Wanyi; Qian, Dang-Wei; Yang, Jinhui; Jiang, Pengju; Zheng, Qing-Zhong","Copper-catalyzed intermolecular amidation of 8-methylquinolines with N-fluoroarylsulfonimides via Csp(3)-H activation.","Organic & biomolecular chemistry","2016","14","21","4789","4793","10.1039/c6ob00553e","","","0.71073","MoKα","","0.1493","0.1272","","","0.2561","0.2668","","","","","","1.216","","","","has coordinates","183773","2020-10-21","18:00:00",""
"7155111","10.5253","0.0007","19.4986","0.0012","15.3673","0.001","90","","90.034","0.002","90","","3153.8","0.4","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C38 H42 N2 O2 -","- C38 H42 N2 O2 -","- C152 H168 N8 O8 -","4","2","","Dethe, Dattatraya H.; Boda, Raghavender","Expedient synthesis of densely substituted pyrrolo[1,2-a]indoles.","Organic & biomolecular chemistry","2016","14","24","5843","5860","10.1039/c6ob00861e","","","0.71073","MoKα","","0.154","0.137","","","0.3205","0.3306","","","","","","1.081","","","","has coordinates","194155","2020-10-21","18:00:00",""
"7155112","9.5","0.005","11.269","0.005","12.113","0.006","111.974","0.007","97.28","0.008","101.443","0.007","1149.5","1","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C29 H26 N2 O -","- C29 H26 N2 O -","- C58 H52 N4 O2 -","2","1","","Dethe, Dattatraya H.; Boda, Raghavender","Expedient synthesis of densely substituted pyrrolo[1,2-a]indoles.","Organic & biomolecular chemistry","2016","14","24","5843","5860","10.1039/c6ob00861e","","","0.71073","MoKα","","0.0897","0.0551","","","0.1439","0.2038","","","","","","0.885","","","","has coordinates","183754","2020-10-21","18:00:00",""
"7155113","9.752","0.014","11.395","0.016","12.462","0.017","105.79","0.03","107.47","0.02","99.95","0.02","1221","3","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C29 H26 N2 O -","- C29 H26 N2 O -","- C58 H52 N4 O2 -","2","1","","Dethe, Dattatraya H.; Boda, Raghavender","Expedient synthesis of densely substituted pyrrolo[1,2-a]indoles.","Organic & biomolecular chemistry","2016","14","24","5843","5860","10.1039/c6ob00861e","","","0.71073","MoKα","","0.1476","0.0693","","","0.1651","0.2299","","","","","","0.841","","","","has coordinates","183754","2020-10-21","18:00:00",""
"7155114","9.0981","0.0018","20.673","0.004","24.866","0.005","90","","90","","90","","4676.9","1.6","100","2","100","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C30 H27 N3 -","- C30 H27 N3 -","- C240 H216 N24 -","8","1","","Dethe, Dattatraya H.; Boda, Raghavender","Expedient synthesis of densely substituted pyrrolo[1,2-a]indoles.","Organic & biomolecular chemistry","2016","14","24","5843","5860","10.1039/c6ob00861e","","","0.71073","MoKα","","0.0931","0.0513","","","0.1145","0.15","","","","","","1.02","","","","has coordinates","206958","2020-10-21","18:00:00",""
"7155115","19.869","0.009","8.329","0.003","23.3","0.009","90","","110.432","0.012","90","","3613","3","100","2","100","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C23 H21 N3 -","- C23 H21 N3 -","- C184 H168 N24 -","8","1","","Dethe, Dattatraya H.; Boda, Raghavender","Expedient synthesis of densely substituted pyrrolo[1,2-a]indoles.","Organic & biomolecular chemistry","2016","14","24","5843","5860","10.1039/c6ob00861e","","","0.71073","MoKα","","0.0903","0.0644","","","0.1709","0.1952","","","","","","1.042","","","","has coordinates","183754","2020-10-21","18:00:00",""
"7155116","7.845","0.005","9.525","0.003","14.475","0.005","102.857","0.005","103.298","0.002","104.067","0.005","975.6","0.8","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C23 H26 N2 O2 -","- C23 H26 N2 O2 -","- C46 H52 N4 O4 -","2","1","","Dethe, Dattatraya H.; Boda, Raghavender","Expedient synthesis of densely substituted pyrrolo[1,2-a]indoles.","Organic & biomolecular chemistry","2016","14","24","5843","5860","10.1039/c6ob00861e","","","0.71073","MoKα","","0.0845","0.0567","","","0.1437","0.1677","","","","","","1.067","","","","has coordinates","183754","2020-10-21","18:00:00",""
"7155117","9.929","0.004","10.675","0.004","12.143","0.004","90.655","0.007","113.506","0.006","109.344","0.006","1098.2","0.7","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C29 H26 N2 O2 -","- C29 H26 N2 O2 -","- C58 H52 N4 O4 -","2","1","","Dethe, Dattatraya H.; Boda, Raghavender","Expedient synthesis of densely substituted pyrrolo[1,2-a]indoles.","Organic & biomolecular chemistry","2016","14","24","5843","5860","10.1039/c6ob00861e","","","0.71073","MoKα","","0.067","0.0512","","","0.1243","0.1503","","","","","","1.09","","","","has coordinates","183754","2020-10-21","18:00:00",""
"7155118","13.9952","0.0018","8.4878","0.0011","16.603","0.002","90","","101.548","0.002","90","","1932.3","0.4","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C21 H20 N2 O5 -","- C21 H20 N2 O5 -","- C84 H80 N8 O20 -","4","1","","Liu, Yi-Yin; Duan, Shu-Wen; Zhang, Rui; Liu, Yun-Hang; Chen, Jia-Rong; Xiao, Wen-Jing","Base-catalyzed controllable reaction of 3-ylideneoxindoles with O-Boc hydroxycarbamates for the synthesis of amidoacrylates and spiroaziridine oxindoles.","Organic & biomolecular chemistry","2016","14","23","5224","5228","10.1039/c6ob00891g","","","0.71073","MoKα","","0.0775","0.05","","","0.1536","0.174","","","","","","1.056","","","","has coordinates","183780","2020-10-21","18:00:00",""
"7155119","8.4422","0.0013","9.1367","0.0014","12.95","0.002","98.373","0.002","97.607","0.002","101.428","0.002","955.2","0.3","296.15","","296.15","","","","","","","","","4","P -1","-P 1","2","","","","- C21 H20 N2 O5 -","- C21 H20 N2 O5 -","- C42 H40 N4 O10 -","2","1","","Liu, Yi-Yin; Duan, Shu-Wen; Zhang, Rui; Liu, Yun-Hang; Chen, Jia-Rong; Xiao, Wen-Jing","Base-catalyzed controllable reaction of 3-ylideneoxindoles with O-Boc hydroxycarbamates for the synthesis of amidoacrylates and spiroaziridine oxindoles.","Organic & biomolecular chemistry","2016","14","23","5224","5228","10.1039/c6ob00891g","","","0.71073","MoKα","","0.0535","0.0468","","","0.1478","0.158","","","","","","1.043","","","","has coordinates","183780","2020-10-21","18:00:00",""
"7155120","9.4039","0.001","17.681","0.002","12.434","0.0014","90","","110.481","0.002","90","","1936.7","0.4","273","2","273","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C21 H20 N2 O5 -","- C21 H20 N2 O5 -","- C84 H80 N8 O20 -","4","1","","Liu, Yi-Yin; Duan, Shu-Wen; Zhang, Rui; Liu, Yun-Hang; Chen, Jia-Rong; Xiao, Wen-Jing","Base-catalyzed controllable reaction of 3-ylideneoxindoles with O-Boc hydroxycarbamates for the synthesis of amidoacrylates and spiroaziridine oxindoles.","Organic & biomolecular chemistry","2016","14","23","5224","5228","10.1039/c6ob00891g","","","0.71073","MoKα","","0.0454","0.0378","","","0.1086","0.1164","","","","","","1.044","","","","has coordinates","183780","2020-10-21","18:00:00",""
"7155121","9.1206","0.0007","12.5475","0.0009","15.2318","0.0011","103.415","0.001","99.625","0.001","110.111","0.001","1532.9","0.2","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","","","- C34 H33 N3 O8 -","- C34 H33 N3 O8 -","- C68 H66 N6 O16 -","2","1","","Liu, Yi-Yin; Duan, Shu-Wen; Zhang, Rui; Liu, Yun-Hang; Chen, Jia-Rong; Xiao, Wen-Jing","Base-catalyzed controllable reaction of 3-ylideneoxindoles with O-Boc hydroxycarbamates for the synthesis of amidoacrylates and spiroaziridine oxindoles.","Organic & biomolecular chemistry","2016","14","23","5224","5228","10.1039/c6ob00891g","","","0.71073","MoKα","","0.0755","0.0626","","","0.1403","0.1488","","","","","","1.099","","","","has coordinates","183780","2020-10-21","18:00:00",""
"7155122","9.4639","0.0006","18.9173","0.0012","12.0648","0.0008","90","","103.506","0.001","90","","2100.2","0.2","130","","130","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C18 H16 Cl F3 N2 O3 -","- C18 H16 Cl F3 N2 O3 -","- C72 H64 Cl4 F12 N8 O12 -","4","2","","Zhou, Ding; Yu, Xueting; Zhang, Jian; Wang, Wei; Xie, Hexin","Organocatalytic asymmetric addition of alcohols to cyclic trifluoromethyl ketimines: highly enantioselective synthesis of chiral N,O-ketals.","Organic & biomolecular chemistry","2016","14","26","6193","6196","10.1039/c6ob00890a","","","0.71073","MoKα","","0.0665","0.0564","","","0.1572","0.1661","","","","","","1.058","","","","has coordinates","185632","2020-10-21","18:00:00",""
"7155123","5.7389","0.0004","11.4338","0.0008","22.2456","0.0018","90","","90","","90","","1459.7","0.19","207","70","207","70","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H16 O S -","- C18 H16 O S -","- C72 H64 O4 S4 -","4","1","","Fu, Xuan; Lin, Lili; Xia, Yong; Zhou, Pengfei; Liu, Xiaohua; Feng, Xiaoming","Catalytic asymmetric [3 + 3] annulation of cyclopropanes with mercaptoacetaldehyde.","Organic & biomolecular chemistry","2016","14","25","5914","5917","10.1039/c6ob00948d","","x-ray","0.71073","MoKα","","0.0467","0.0432","","","0.1019","0.1068","","","","","","1.054","","","","has coordinates","185634","2020-10-21","18:00:00",""
"7155124","7.5608","0.0008","13.1579","0.0014","16.9471","0.0018","90","","90","","90","","1686","0.3","130","","130","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C17 H21 N O5 S -","- C17 H21 N O5 S -","- C68 H84 N4 O20 S4 -","4","1","","Fu, Jian-Guo; Shan, Yi-Fan; Sun, Wang-Bin; Lin, Guo-Qiang; Sun, Bing-Feng","An asymmetric approach to bicyclo[2.2.1]heptane-1-carboxylates via a formal [4 + 2] cycloaddition reaction enabled by organocatalysis.","Organic & biomolecular chemistry","2016","14","23","5229","5232","10.1039/c6ob00814c","","","0.71073","MoKα","","0.0462","0.0395","","","0.0933","0.097","","","","","","1.03","","","","has coordinates,has disorder","183779","2020-10-21","18:00:00",""
"7155125","5.4675","0.0003","9.3791","0.0007","11.1931","0.0009","84.624","0.005","79.858","0.004","82.835","0.004","559.09","0.07","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C15 H8 F N O2 -","- C15 H8 F N O2 -","- C30 H16 F2 N2 O4 -","2","1","","Ali, Wajid; Modi, Anju; Behera, Ahalya; Mohanta, Prakash Ranjan; Patel, Bhisma K.","Cs2CO3 as a source of carbonyl and ethereal oxygen in a Cu-catalysed cascade synthesis of benzofuran [3,2-c] quinolin-6[5-H]ones.","Organic & biomolecular chemistry","2016","14","25","5940","5944","10.1039/c6ob01029f","","","0.71073","MoKα","","0.1528","0.0759","","","0.1259","0.1537","","","","","","0.931","","","","has coordinates","185636","2020-10-21","18:00:00",""
"7155126","5.8626","0.0012","8.971","0.0018","15.298","0.003","94.01","0.03","94","0.03","92.42","0.03","799.8","0.3","295","2","295","2","","","","","","","","3","P -1","-P 1","2","","","","- C21 H18 O -","- C21 H18 O -","- C42 H36 O2 -","2","1","","Zhong, Shanshan; Lu, Yu; Zhang, Yan; Liu, Yunyun; Wan, Jie-Ping","Synthesis of β,β-diaryl propiophenones via palladium-catalyzed domino arylboronation, elimination and enone hydroarylation of enaminones.","Organic & biomolecular chemistry","2016","14","26","6270","6273","10.1039/c6ob01038e","","","0.71073","MoKα","","0.0706","0.0382","","","0.1025","0.1408","","","","","","1.129","","","","has coordinates","185627","2020-10-21","18:00:00",""
"7155127","11.689","0.002","17.969","0.004","12.35","0.003","90","","90.44","0.03","90","","2593.9","1","153","2","153","2","","","","","","","","5","P 1 21 1","P 2yb","4","","(R,E)-tert-butyl 3-(4-bromobenzylidene)-4-((S)-1-(4-methoxyphenyl)-2-nitroethyl)-2,5-dioxopyrrolidine-1-carboxylate","","- C25 H25 Br N2 O7 -","- C25 H25 Br N2 O7 -","- C100 H100 Br4 N8 O28 -","4","2","","Zhao, Bo-Liang; Zhang, Dongxiang; Liu, Lei; Du, Da-Ming","Organocatalytic asymmetric Michael addition of α-alkylidene succinimides to nitrostyrenes.","Organic & biomolecular chemistry","2016","14","26","6337","6345","10.1039/c6ob00711b","","","0.71073","MoKα","","0.0632","0.053","","","0.1486","0.1722","","","","","","1.098","","","","has coordinates","185628","2020-10-21","18:00:00",""
"7155128","8.1994","0.0005","5.9821","0.0004","13.9212","0.0009","90","","93.572","0.006","90","","681.5","0.08","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C12 H13 F3 N2 O4 -","- C12 H13 F3 N2 O4 -","- C24 H26 F6 N4 O8 -","2","1","","You, Zhi-Hao; Chen, Ying-Han; Liu, Yan-Kai","From racemic precursors to fully stereocontrolled products: one-pot synthesis of chiral α-amino lactones and lactams.","Organic & biomolecular chemistry","2016","14","26","6316","6327","10.1039/c6ob00953k","","","1.54184","CuKα","","0.0639","0.0547","","","0.1551","0.1662","","","","","","1.046","","","","has coordinates","185629","2020-10-21","18:00:00",""
"7155129","5.4617","0.0003","8.2109","0.0005","23.4585","0.0011","90","","90","","90","","1052.01","0.1","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C11 H12 N2 O3 -","- C11 H12 N2 O3 -","- C44 H48 N8 O12 -","4","1","","You, Zhi-Hao; Chen, Ying-Han; Liu, Yan-Kai","From racemic precursors to fully stereocontrolled products: one-pot synthesis of chiral α-amino lactones and lactams.","Organic & biomolecular chemistry","2016","14","26","6316","6327","10.1039/c6ob00953k","","","1.54184","CuKα","","0.0599","0.0457","","","0.1115","0.1229","","","","","","1.046","","","","has coordinates","185629","2020-10-21","18:00:00",""
"7155130","8.7507","0.0008","13.2608","0.0011","12.676","0.0011","90","","93.655","0.004","90","","1467.9","0.2","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H18 N2 O6 -","- C14 H18 N2 O6 -","- C56 H72 N8 O24 -","4","1","","Chen, Liang; Sun, Jing; Xie, Ju; Yan, Chao-Guo","Molecular diversity of the three-component reaction of α-amino acids, dialkyl acetylenedicarboxylates and N-substituted maleimides.","Organic & biomolecular chemistry","2016","14","27","6497","6507","10.1039/c6ob00921b","","","0.71073","MoKα","","0.0806","0.0539","","","0.1388","0.1555","","","","","","1.024","","","","has coordinates","185642","2020-10-21","18:00:00",""
"7155131","8.7337","0.001","10.5429","0.0013","11.3995","0.0014","64.657","0.004","80","0.004","74.626","0.004","912.5","0.19","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C20 H22 N2 O6 -","- C20 H22 N2 O6 -","- C40 H44 N4 O12 -","2","1","","Chen, Liang; Sun, Jing; Xie, Ju; Yan, Chao-Guo","Molecular diversity of the three-component reaction of α-amino acids, dialkyl acetylenedicarboxylates and N-substituted maleimides.","Organic & biomolecular chemistry","2016","14","27","6497","6507","10.1039/c6ob00921b","","","0.71073","MoKα","","0.0685","0.0464","","","0.1243","0.1432","","","","","","1.099","","","","has coordinates","185642","2020-10-21","18:00:00",""
"7155132","11.095","0.0013","10.2803","0.0013","19.4298","0.0019","90","","109.348","0.006","90","","2091","0.4","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H26 N2 O6 -","- C22 H26 N2 O6 -","- C88 H104 N8 O24 -","4","1","","Chen, Liang; Sun, Jing; Xie, Ju; Yan, Chao-Guo","Molecular diversity of the three-component reaction of α-amino acids, dialkyl acetylenedicarboxylates and N-substituted maleimides.","Organic & biomolecular chemistry","2016","14","27","6497","6507","10.1039/c6ob00921b","","","0.71073","MoKα","","0.1178","0.0586","","","0.1284","0.1522","","","","","","1.024","","","","has coordinates","185642","2020-10-21","18:00:00",""
"7155133","7.952","0.002","12.865","0.003","16.507","0.004","90","","107.409","0.012","90","","1611.4","0.7","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H18 N2 O6 S -","- C14 H18 N2 O6 S -","- C56 H72 N8 O24 S4 -","4","1","","Chen, Liang; Sun, Jing; Xie, Ju; Yan, Chao-Guo","Molecular diversity of the three-component reaction of α-amino acids, dialkyl acetylenedicarboxylates and N-substituted maleimides.","Organic & biomolecular chemistry","2016","14","27","6497","6507","10.1039/c6ob00921b","","","0.71073","MoKα","","0.0688","0.0469","","","0.1296","0.1493","","","","","","1.065","","","","has coordinates","185642","2020-10-21","18:00:00",""
"7155134","8.8046","0.0014","10.5597","0.0017","11.8943","0.0019","69.617","0.004","83.083","0.004","73.659","0.004","994.4","0.3","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C19 H19 Br N2 O6 S -","- C19 H19 Br N2 O6 S -","- C38 H38 Br2 N4 O12 S2 -","2","1","","Chen, Liang; Sun, Jing; Xie, Ju; Yan, Chao-Guo","Molecular diversity of the three-component reaction of α-amino acids, dialkyl acetylenedicarboxylates and N-substituted maleimides.","Organic & biomolecular chemistry","2016","14","27","6497","6507","10.1039/c6ob00921b","","","0.71073","MoKα","","0.0449","0.0369","","","0.0934","0.0971","","","","","","1.088","","","","has coordinates","185642","2020-10-21","18:00:00",""
"7155135","9.954","0.007","16.203","0.01","13.457","0.007","90","","96.401","0.019","90","","2157","2","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C21 H24 N2 O6 S -","- C21 H24 N2 O6 S -","- C84 H96 N8 O24 S4 -","4","1","","Chen, Liang; Sun, Jing; Xie, Ju; Yan, Chao-Guo","Molecular diversity of the three-component reaction of α-amino acids, dialkyl acetylenedicarboxylates and N-substituted maleimides.","Organic & biomolecular chemistry","2016","14","27","6497","6507","10.1039/c6ob00921b","","","0.71073","MoKα","","0.1392","0.0927","","","0.2615","0.3022","","","","","","1.032","","","","has coordinates","185642","2020-10-21","18:00:00",""
"7155136","9.3547","0.0017","10.5618","0.0019","11.822","0.002","63.544","0.005","75.007","0.005","71.573","0.005","982.5","0.3","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C21 H24 N2 O6 -","- C21 H24 N2 O6 -","- C42 H48 N4 O12 -","2","1","","Chen, Liang; Sun, Jing; Xie, Ju; Yan, Chao-Guo","Molecular diversity of the three-component reaction of α-amino acids, dialkyl acetylenedicarboxylates and N-substituted maleimides.","Organic & biomolecular chemistry","2016","14","27","6497","6507","10.1039/c6ob00921b","","","0.71073","MoKα","","0.0854","0.0451","","","0.1086","0.128","","","","","","1.011","","","","has coordinates","185642","2020-10-21","18:00:00",""
"7155137","8.5073","0.0018","10.502","0.002","11.966","0.003","101.061","0.007","101.512","0.007","93.112","0.007","1023.3","0.4","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C18 H22 N2 O10 -","- C18 H22 N2 O10 -","- C36 H44 N4 O20 -","2","1","","Chen, Liang; Sun, Jing; Xie, Ju; Yan, Chao-Guo","Molecular diversity of the three-component reaction of α-amino acids, dialkyl acetylenedicarboxylates and N-substituted maleimides.","Organic & biomolecular chemistry","2016","14","27","6497","6507","10.1039/c6ob00921b","","","0.71073","MoKα","","0.1218","0.0556","","","0.1301","0.1606","","","","","","1.063","","","","has coordinates","185642","2020-10-21","18:00:00",""
"7155138","8.6218","0.0014","15.664","0.002","16.949","0.003","77.049","0.005","78.276","0.004","89.931","0.005","2181.9","0.6","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C19 H24 N2 O10 -","- C19 H24 N2 O10 -","- C76 H96 N8 O40 -","4","2","","Chen, Liang; Sun, Jing; Xie, Ju; Yan, Chao-Guo","Molecular diversity of the three-component reaction of α-amino acids, dialkyl acetylenedicarboxylates and N-substituted maleimides.","Organic & biomolecular chemistry","2016","14","27","6497","6507","10.1039/c6ob00921b","","","0.71073","MoKα","","0.1215","0.0705","","","0.1796","0.1974","","","","","","1.018","","","","has coordinates","185642","2020-10-21","18:00:00",""
"7155139","13.2804","0.0018","12.6107","0.0015","17.7624","0.0019","90","","125.573","0.007","90","","2419.6","0.5","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H26 N2 O10 -","- C24 H26 N2 O10 -","- C96 H104 N8 O40 -","4","1","","Chen, Liang; Sun, Jing; Xie, Ju; Yan, Chao-Guo","Molecular diversity of the three-component reaction of α-amino acids, dialkyl acetylenedicarboxylates and N-substituted maleimides.","Organic & biomolecular chemistry","2016","14","27","6497","6507","10.1039/c6ob00921b","","","0.71073","MoKα","","0.1011","0.0496","","","0.1171","0.1464","","","","","","1.081","","","","has coordinates","185642","2020-10-21","18:00:00",""
"7155140","10.685","0.002","11.358","0.002","13.19","0.002","74.859","0.006","68.301","0.005","76.133","0.006","1417.3","0.4","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C30 H30 N2 O10 -","- C30 H30 N2 O10 -","- C60 H60 N4 O20 -","2","1","","Chen, Liang; Sun, Jing; Xie, Ju; Yan, Chao-Guo","Molecular diversity of the three-component reaction of α-amino acids, dialkyl acetylenedicarboxylates and N-substituted maleimides.","Organic & biomolecular chemistry","2016","14","27","6497","6507","10.1039/c6ob00921b","","","0.71073","MoKα","","0.0921","0.0526","","","0.1138","0.1302","","","","","","1.028","","","","has coordinates,has disorder","185642","2020-10-21","18:00:00",""
"7155141","13.234","0.003","9.2233","0.0016","20.475","0.004","90","","102.781","0.006","90","","2437.3","0.8","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H30 N2 O10 -","- C22 H30 N2 O10 -","- C88 H120 N8 O40 -","4","1","","Chen, Liang; Sun, Jing; Xie, Ju; Yan, Chao-Guo","Molecular diversity of the three-component reaction of α-amino acids, dialkyl acetylenedicarboxylates and N-substituted maleimides.","Organic & biomolecular chemistry","2016","14","27","6497","6507","10.1039/c6ob00921b","","","0.71073","MoKα","","0.1397","0.0649","","","0.1525","0.1769","","","","","","1.046","","","","has coordinates","185642","2020-10-21","18:00:00",""
"7155142","8.6267","0.0014","10.6646","0.0015","11.1642","0.0017","113.847","0.004","92.046","0.005","97.197","0.005","927.8","0.2","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C18 H22 N2 O7 -","- C18 H22 N2 O7 -","- C36 H44 N4 O14 -","2","1","","Chen, Liang; Sun, Jing; Xie, Ju; Yan, Chao-Guo","Molecular diversity of the three-component reaction of α-amino acids, dialkyl acetylenedicarboxylates and N-substituted maleimides.","Organic & biomolecular chemistry","2016","14","27","6497","6507","10.1039/c6ob00921b","","","0.71073","MoKα","","0.095","0.0529","","","0.1261","0.143","","","","","","1.063","","","","has coordinates","185642","2020-10-21","18:00:00",""
"7155143","7.1148","0.0017","11.372","0.003","12.653","0.003","110.96","0.007","91.815","0.008","93.31","0.008","952.9","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H19 Br N2 O6 -","- C18 H19 Br N2 O6 -","- C36 H38 Br2 N4 O12 -","2","1","","Chen, Liang; Sun, Jing; Xie, Ju; Yan, Chao-Guo","Molecular diversity of the three-component reaction of α-amino acids, dialkyl acetylenedicarboxylates and N-substituted maleimides.","Organic & biomolecular chemistry","2016","14","27","6497","6507","10.1039/c6ob00921b","","","0.71073","MoKα","","0.0735","0.0552","","","0.1315","0.1398","","","","","","1.085","","","","has coordinates","185642","2020-10-21","18:00:00",""
"7155144","6.2368","0.0003","12.0269","0.0005","12.3293","0.0006","107.207","0.002","92.248","0.002","98.168","0.002","871.22","0.07","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C22 H15 F O4 -","- C22 H15 F O4 -","- C44 H30 F2 O8 -","2","1","","Xie, Yuanwei; Yu, Chenxia; Que, Yonglei; Li, Tuanjie; Wang, Yuhong; Lu, Yinan; Wang, Wenjing; Shen, Shide; Yao, Changsheng","N-Heterocyclic carbene-triggered transition-metal-free synthesis of 2,3-disubstituted benzofuran derivatives.","Organic & biomolecular chemistry","2016","14","27","6463","6469","10.1039/c6ob00363j","","","0.71073","MoKα","","0.1268","0.0946","","","0.3069","0.3526","","","","","","1.338","","","","has coordinates","185644","2020-10-21","18:00:00",""
"7155145","17.926","0.012","14.393","0.01","8.191","0.006","90","","93.891","0.014","90","","2108","3","230","2","230","2","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","","","","- C48 H76 -","- C48 H76 -","- C96 H152 -","2","0.5","","Lidster, Benjamin J.; Kumar, Dharam R.; Spring, Andrew M.; Yu, Chin-Yang; Helliwell, Madeleine; Raftery, James; Turner, Michael L.","Alkyl substituted [2.2]paracyclophane-1,9-dienes.","Organic & biomolecular chemistry","2016","14","25","6079","6087","10.1039/c6ob00885b","","","0.71073","MoKα","","0.0719","0.0538","","","0.1449","0.1546","","","","","","0.958","","","","has coordinates","185635","2020-10-21","18:00:00",""
"7155146","10.6209","0.0017","10.0531","0.0016","10.7441","0.0018","90","","97.548","0.004","90","","1137.2","0.3","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C23 H28 F N O3 S -","- C23 H28 F N O3 S -","- C46 H56 F2 N2 O6 S2 -","2","1","","Li, Xiang; Li, Ya; Shang, Huaqi","A diastereoselective Mannich-type reaction of α-fluorinated carboxylate esters: synthesis of β-amino acids containing α-quaternary fluorinated carbon centers.","Organic & biomolecular chemistry","2016","14","27","6457","6462","10.1039/c6ob01084a","","","0.71073","MoKα","","0.0586","0.0511","","","0.1168","0.1222","","","","","","1.026","","","","has coordinates,has disorder","185637","2020-10-21","18:00:00",""
"7155147","9.6078","0.0018","18.11","0.004","21.537","0.004","90","","90","","90","","3747.4","1.3","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C17 H26 F N O3 S -","- C17 H26 F N O3 S -","- C136 H208 F8 N8 O24 S8 -","8","2","","Li, Xiang; Li, Ya; Shang, Huaqi","A diastereoselective Mannich-type reaction of α-fluorinated carboxylate esters: synthesis of β-amino acids containing α-quaternary fluorinated carbon centers.","Organic & biomolecular chemistry","2016","14","27","6457","6462","10.1039/c6ob01084a","","","0.71073","MoKα","","0.0808","0.0503","","","0.1103","0.1238","","","","","","0.993","","","","has coordinates","185637","2020-10-21","18:00:00",""
"7155148","9.7273","0.0011","13.2654","0.0014","15.7765","0.0015","90","","97.263","0.004","90","","2019.4","0.4","298","","298","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H21 N O5 S -","- C22 H21 N O5 S -","- C88 H84 N4 O20 S4 -","4","1","","Ramachary, Dhevalapally B.; Krishna, Patoju M.; Reddy, T. Prabhakar","Stereoselective synthesis of cyclopentanone-fused benzosultams through Tomita zipper cyclization.","Organic & biomolecular chemistry","2016","14","27","6413","6416","10.1039/c6ob01096b","","","0.71073","MoKα","","0.069","0.0571","","","0.1463","0.1538","","","","","","1.032","","","","has coordinates","206489","2020-10-21","18:00:00",""
"7155149","10.5258","0.0009","11.7582","0.001","14.4254","0.0012","90","","90","","90","","1785.4","0.3","130","","130","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C24 H15 Cl O3 -","- C24 H15 Cl O3 -","- C96 H60 Cl4 O12 -","4","1","","Jiang, Yu; Fu, Jun-Hao; Li, Tian-Ze; Sha, Feng; Wu, Xin-Yan","Enantioselective direct vinylogous aldol-cyclization cascade reaction between β,γ-unsaturated amides and o-quinones.","Organic & biomolecular chemistry","2016","14","27","6435","6441","10.1039/c6ob00893c","","","0.71073","MoKα","","0.0397","0.0349","","","0.0851","0.0885","","","","","","1.045","","","","has coordinates","185646","2020-10-21","18:00:00",""
"7155150","10.9419","0.0006","24.477","0.0012","11.0478","0.0009","90","","118.723","0.0016","90","","2594.8","0.3","90","2","90","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C28 H26 N4 O7 Ru -","- C28 H26 N4 O7 Ru -","- C112 H104 N16 O28 Ru4 -","4","1","","Yoshida, Ryota; Isozaki, Katsuhiro; Yokoi, Tomoya; Yasuda, Nobuhiro; Sadakane, Koichiro; Iwamoto, Takahiro; Takaya, Hikaru; Nakamura, Masaharu","ONO-pincer ruthenium complex-bound norvaline for efficient catalytic oxidation of methoxybenzenes with hydrogen peroxide.","Organic & biomolecular chemistry","2016","14","31","7468","7479","10.1039/c6ob00969g","","","0.78305","Synchrotron","","0.0612","0.0412","","","0.0848","0.1032","","","","","","1.091","","","","has coordinates,has disorder","185647","2020-10-21","18:00:00",""
"7155151","6.49177","0.00015","15.0859","0.0003","7.43648","0.00019","90","","104.76","0.002","90","","704.25","0.03","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","2?-N,4?-C-(Aminosulfonylmethylene)thymidine","","- C11 H17 N3 O8 S -","- C11 H17 N3 O8 S -","- C22 H34 N6 O16 S2 -","2","1","","Mitsuoka, Yasunori; Aoyama, Hiroshi; Kugimiya, Akira; Fujimura, Yuko; Yamamoto, Tsuyoshi; Waki, Reiko; Wada, Fumito; Tahara, Saori; Sawamura, Motoki; Noda, Mio; Hari, Yoshiyuki; Obika, Satoshi","Effect of an N-substituent in sulfonamide-bridged nucleic acid (SuNA) on hybridization ability and duplex structure.","Organic & biomolecular chemistry","2016","14","27","6531","6538","10.1039/c6ob01051b","","","1.54187","CuKα","","0.0287","0.0272","","","0.0705","0.0723","","","","","","1.071","","","","has coordinates","185638","2020-10-21","18:00:00",""
"7155152","6.4286","0.0003","7.452","0.0003","11.707","0.0005","89.263","0.002","78.416","0.002","84.742","0.002","547.09","0.04","230","2","230","2","","","","","","","","5","P -1","-P 1","2","compound 13; JMS-631-053","7-imino-2-phenylthieno[3,2-c]pyridine-4,6(5H,7H)-dione","","- C13 H8 N2 O2 S -","- C13 H8 N2 O2 S -","- C26 H16 N4 O4 S2 -","2","1","","Salamoun, Joseph M.; McQueeney, Kelley E.; Patil, Kalyani; Geib, Steven J.; Sharlow, Elizabeth R.; Lazo, John S.; Wipf, Peter","Photooxygenation of an amino-thienopyridone yields a more potent PTP4A3 inhibitor.","Organic & biomolecular chemistry","2016","14","27","6398","6402","10.1039/c6ob00946h","","","1.54178","CuKα","","0.0468","0.0424","","","0.1274","0.1306","","","","","","1.479","","","","has coordinates","185639","2020-10-21","18:00:00",""
"7155153","8.291","0.005","10.918","0.005","22.462","0.005","90","0.005","90","0.005","90","0.005","2033.3","1.6","291","2","291","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(S)-tert-butyl 2-oxo-5-((R)-3-oxo-1-phenyl-3-(pyridin-2-yl)propyl)-2,5-dihydro-1H-pyrrole-1-carboxylate","","- C21 H22 N2 O4 S -","- C21 H22 N2 O4 S -","- C84 H88 N8 O16 S4 -","4","1","","Wang, Zhen-Hua; Wu, Zhi-Jun; Yue, Deng-Feng; You, Yong; Xu, Xiao-Ying; Zhang, Xiao-Mei; Yuan, Wei-Cheng","Enantioselective synthesis of chiral α,β-unsaturated γ-substituted butyrolactams by organocatalyzed direct asymmetric vinylogous Michael addition of α,β-unsaturated γ-butyrolactam to 2-enoylpyridines.","Organic & biomolecular chemistry","2016","14","27","6568","6576","10.1039/c6ob01191h","","","1.54184","CuKα","","0.0552","0.0454","","","0.1149","0.1357","","","","","","1.087","","","","has coordinates,has disorder","185640","2020-10-21","18:00:00",""
"7155154","5.891","0.0005","7.7688","0.0006","16.658","0.0014","84.298","0.006","82.177","0.007","84.893","0.006","749.33","0.11","293","","293","","","","","","","","","5","P -1","-P 1","2","","","","- C19 H10 F3 N O2 -","- C19 H10 F3 N O2 -","- C38 H20 F6 N2 O4 -","2","1","","Mishra, Kalpana; Pandey, Ashok Kumar; Singh, Jay Bahadur; Singh, Radhey M.","Metal free TBHP-promoted intramolecular carbonylation of arenes via radical cross-dehydrogenative coupling: synthesis of indenoquinolinones, 4-azafluorenones and fluorenones.","Organic & biomolecular chemistry","2016","14","26","6328","6336","10.1039/c6ob00998k","","","0.71073","MoKα","","0.1308","0.0734","","","0.1927","0.239","","","","","","1.033","","","","has coordinates","185630","2020-10-21","18:00:00",""
"7155155","11.908","0.002","12.416","0.003","13.154","0.003","90","","90","","90","","1944.8","0.7","173.15","","173.15","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C24 H19 N O3 S -","- C24 H19 N O3 S -","- C96 H76 N4 O12 S4 -","4","1","","Liang, Zhi-Qin; Wang, Dong-Ling; Zhang, Chun-Lin; Ye, Song","Enantioselective N-heterocyclic carbene-catalyzed synthesis of saccharine-derived dihydropyridinones with cis-selectivity.","Organic & biomolecular chemistry","2016","14","27","6422","6425","10.1039/c6ob01040g","","","0.71073","MoKα","","0.037","0.0357","","","0.0826","0.0838","","","","","","1.075","","","","has coordinates","185641","2020-10-21","18:00:00",""
"7155156","12.1612","0.0018","12.2372","0.0019","14.9998","0.002","90","","111.703","0.004","90","","2074","0.5","298","2","298","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C24 H24 N2 O3 -","- C24 H24 N2 O3 -","- C96 H96 N8 O12 -","4","1","","Ramachary, Dhevalapally B.; Prabhakar Reddy, T.; Suresh Kumar, A.","Organocatalytic azomethine imine-olefin click reaction: high-yielding stereoselective synthesis of spiroindane-1,3-dione-pyrazolidinones.","Organic & biomolecular chemistry","2016","14","27","6517","6522","10.1039/c6ob01009a","","","0.71073","MoKα","","0.0799","0.0538","","","0.131","0.142","","","","","","1.056","","","","has coordinates","206489","2020-10-21","18:00:00",""
"7155157","4.9002","0.0003","16.6369","0.0009","25.4887","0.0015","90","","90","","90","","2077.9","0.2","143","1","143","1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C24 H20 N4 O2 S -","- C24 H20 N4 O2 S -","- C96 H80 N16 O8 S4 -","4","1","","Wang, Yanxin J.; Szantai-Kis, D Miklos; Petersson, E. James","Chemoselective modifications for the traceless ligation of thioamide-containing peptides and proteins.","Organic & biomolecular chemistry","2016","14","26","6262","6269","10.1039/c6ob01020b","","","0.71073","MoKα","","0.0416","0.033","","","0.0693","0.0722","","","","","","1.017","","","","has coordinates","185631","2020-10-21","18:00:00",""
"7155158","11.709","0.006","17.325","0.01","17.761","0.01","105.979","0.008","103.227","0.009","99.347","0.009","3273","3","203","2","203","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H39 N5 S Si -","- C30 H39 N5 S Si -","- C120 H156 N20 S4 Si4 -","4","2","","Wang, Baogang; Cui, Xiaoyan; Zhang, Zhiqiang; Chai, Xiaoyun; Ding, Hao; Wu, Qiuye; Guo, Zhongwu; Wang, Ting","A six-membered-ring incorporated Si-rhodamine for imaging of copper(ii) in lysosomes.","Organic & biomolecular chemistry","2016","14","28","6720","6728","10.1039/c6ob00894a","","","0.71073","MoKα","","0.1954","0.153","","","0.3885","0.428","","","","","","1.475","","","","has coordinates","185663","2020-10-21","18:00:00",""
"7155159","7.49844","0.00012","10.97341","0.00019","16.2847","0.0003","90","","90","","90","","1339.96","0.04","93","2","93","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C15 H24 O2 -","- C15 H24 O2 -","- C60 H96 O8 -","4","1","","Huang, David; Schuppe, Alexander W.; Liang, Michael Z.; Newhouse, Timothy R.","Scalable procedure for the fragmentation of hydroperoxides mediated by copper and iron tetrafluoroborate salts.","Organic & biomolecular chemistry","2016","14","26","6197","6200","10.1039/c6ob00941g","","","1.54184","CuKα","","0.0252","0.0245","","","0.0626","0.0632","","","","","","1.058","","","","has coordinates,has disorder","185633","2020-10-21","18:00:00",""
"7155160","12.1992","0.0004","9.7061","0.0003","13.4162","0.0004","90","","98.061","0.003","90","","1572.87","0.09","173.15","","173.15","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","2-(2-fluoro-4-methyl-5-(thiophen-3-yl)phenyl)-6-methyl-1,3,6,2-dioxazaborocane-4,8-dione","","- C16 H15 B F N O4 S -","- C16 H15 B F N O4 S -","- C64 H60 B4 F4 N4 O16 S4 -","4","1","","Close, Adam J.; Kemmitt, Paul; Mark Roe, S.; Spencer, John","Regioselective routes to orthogonally-substituted aromatic MIDA boronates.","Organic & biomolecular chemistry","2016","14","28","6751","6756","10.1039/c6ob01141a","","x-ray","1.54184","CuKα","","0.0755","0.0645","","","0.1751","0.1846","","","","","","1.062","","","","has coordinates","185662","2020-10-21","18:00:00",""
"7155161","7.2445","0.0003","10.6254","0.0005","12.411","0.0006","90","","90.957","0.005","90","","955.21","0.08","173","","173","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","(5-acetamido-2-bromophenyl)boronic acid","","- C8 H9 B Br N O3 -","- C8 H9 B Br N O3 -","- C32 H36 B4 Br4 N4 O12 -","4","1","","Close, Adam J.; Kemmitt, Paul; Mark Roe, S.; Spencer, John","Regioselective routes to orthogonally-substituted aromatic MIDA boronates.","Organic & biomolecular chemistry","2016","14","28","6751","6756","10.1039/c6ob01141a","","x-ray","1.54184","CuKα","","0.0493","0.0432","","","0.1098","0.1175","","","","","","1.055","","","","has coordinates","185662","2020-10-21","18:00:00",""
"7155162","11.2328","0.0004","8.8504","0.0002","13.6957","0.0004","90","","99.998","0.002","90","","1340.88","0.07","173","2","173","2","","","","","","","synthesis as described","7","P 1 21/c 1","-P 2ybc","14","","5-bromo-2-fluoro-4-(6-methyl-4,8-dioxo-1,3,6,2-dioxazaborocan-2-yl)benzaldehyde","","- C12 H10 B Br F N O5 -","- C12 H10 B Br F N O5 -","- C48 H40 B4 Br4 F4 N4 O20 -","4","1","","Close, Adam J.; Kemmitt, Paul; Mark Roe, S.; Spencer, John","Regioselective routes to orthogonally-substituted aromatic MIDA boronates.","Organic & biomolecular chemistry","2016","14","28","6751","6756","10.1039/c6ob01141a","","x-ray","0.71073","MoKα","","0.047","0.0371","","","0.1018","0.1152","","","","","","1.112","","","","has coordinates","185662","2020-10-21","18:00:00",""
"7155163","10.4496","0.0003","15.6045","0.0005","19.2722","0.0006","104.775","0.002","100.93","0.002","98.868","0.002","2914.84","0.16","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","Rhodium,chloro-(1,2,3,4,5-pentamethylcyclopentadienyl)phenyl(triphenylphosphine) complex","","- C34 H35 Cl P Rh -","- C34 H35 Cl P Rh -","- C136 H140 Cl4 P4 Rh4 -","4","2","","Lau, Yan-Fung; Chan, Chun-Ming; Zhou, Zhongyuan; Yu, Wing-Yiu","Cp*Rh(iii)-catalyzed electrophilic amination of arylboronic acids with azo compounds for synthesis of arylhydrazides.","Organic & biomolecular chemistry","2016","14","28","6821","6825","10.1039/c6ob00719h","","","0.71073","MoKα","","0.111","0.0611","","","0.1183","0.1373","","","","","","1","","","","has coordinates","185660","2020-10-21","18:00:00",""
"7155164","10.4383","0.0002","15.6767","0.0004","19.2505","0.0005","104.905","0.002","100.833","0.001","98.753","0.001","2922.39","0.13","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","Rhodium,bromo-(1,2,3,4,5-pentamethylcyclopentadienyl)phenyl(triphenylphosphine) complex","","- C34 H35 Br P Rh -","- C34 H35 Br P Rh -","- C136 H140 Br4 P4 Rh4 -","4","2","","Lau, Yan-Fung; Chan, Chun-Ming; Zhou, Zhongyuan; Yu, Wing-Yiu","Cp*Rh(iii)-catalyzed electrophilic amination of arylboronic acids with azo compounds for synthesis of arylhydrazides.","Organic & biomolecular chemistry","2016","14","28","6821","6825","10.1039/c6ob00719h","","","0.71073","MoKα","","0.1487","0.0825","","","0.2105","0.2502","","","","","","1.003","","","","has coordinates","185660","2020-10-21","18:00:00",""
"7155165","8.5942","0.0002","16.888","0.0004","19.6492","0.0004","90","","91.809","0.001","90","","2850.44","0.11","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Rhodium,dichloro-(1,2,3,4,5-pentamethylcyclopentadienyl)(triphenylphosphine) complex","","- C29 H32 Cl4 P Rh -","- C29 H32 Cl4 P Rh -","- C116 H128 Cl16 P4 Rh4 -","4","1","","Lau, Yan-Fung; Chan, Chun-Ming; Zhou, Zhongyuan; Yu, Wing-Yiu","Cp*Rh(iii)-catalyzed electrophilic amination of arylboronic acids with azo compounds for synthesis of arylhydrazides.","Organic & biomolecular chemistry","2016","14","28","6821","6825","10.1039/c6ob00719h","","","0.71073","MoKα","","0.0559","0.0337","","","0.0657","0.075","","","","","","1.001","","","","has coordinates","185660","2020-10-21","18:00:00",""
"7155166","9.7693","0.0004","16.4783","0.0007","19.4329","0.0007","90","","90","","90","","3128.3","0.2","296","2","296","2","","","","","","","","4","P c 21 b","P -2bc -2c","29","","2-(4-methoxyphenyl)-2-phenyl-, 1-ethyl hydrazinecarboxylic acid ester","","- C16 H18 N2 O3 -","- C16 H18 N2 O3 -","- C128 H144 N16 O24 -","8","2","","Lau, Yan-Fung; Chan, Chun-Ming; Zhou, Zhongyuan; Yu, Wing-Yiu","Cp*Rh(iii)-catalyzed electrophilic amination of arylboronic acids with azo compounds for synthesis of arylhydrazides.","Organic & biomolecular chemistry","2016","14","28","6821","6825","10.1039/c6ob00719h","","","0.71073","MoKα","","0.1627","0.0681","","","0.1709","0.2424","","","","","","1.005","","","","has coordinates","185660","2020-10-21","18:00:00",""
"7155167","23.463","0.005","12.095","0.002","20.499","0.005","90","","96.456","0.007","90","","5780","2","296","2","296.15","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C36 H34 N2 O2 -","- C36 H34 N2 O2 -","- C288 H272 N16 O16 -","8","1","","Li, Can; Zhang, Hong-Hao; Fan, Tao; Shen, Yang; Wu, Qiong; Shi, Feng","Brønsted acid-catalyzed regioselective reactions of 2-indolylmethanols with cyclic enaminone and anhydride leading to C3-functionalized indole derivatives.","Organic & biomolecular chemistry","2016","14","29","6932","6936","10.1039/c6ob01282e","","","0.71073","MoKα","","0.1521","0.0784","","","0.2295","0.2948","","","","","","1.033","","","","has coordinates","185655","2020-10-21","18:00:00",""
"7155168","9.861","0.005","10.455","0.005","15.398","0.008","89.66","0.009","76.844","0.009","63.337","0.008","1373","1.2","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C34 H30 N O3 -","- C34 H30 N O3 -","- C68 H60 N2 O6 -","2","1","","Li, Can; Zhang, Hong-Hao; Fan, Tao; Shen, Yang; Wu, Qiong; Shi, Feng","Brønsted acid-catalyzed regioselective reactions of 2-indolylmethanols with cyclic enaminone and anhydride leading to C3-functionalized indole derivatives.","Organic & biomolecular chemistry","2016","14","29","6932","6936","10.1039/c6ob01282e","","","0.71073","MoKα","","0.1495","0.0805","","","0.2057","0.2548","","","","","","0.959","","","","has coordinates","185655","2020-10-21","18:00:00",""
"7155169","9.8932","0.0013","15.009","0.002","21.27","0.003","90","","90","","90","","3158.3","0.7","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C17 H16 F3 N S -","- C17 H16 F3 N S -","- C136 H128 F24 N8 S8 -","8","2","","Zhou, Ji; Zhang, Qian-Fan; Zhao, Wei-Hao; Jiang, Guo-Fang","Chiral phosphoric acid-catalyzed asymmetric transfer hydrogenation of 3-trifluoromethylthioquinolines.","Organic & biomolecular chemistry","2016","14","29","6937","6941","10.1039/c6ob01176d","","","0.71073","MoKα","","0.072","0.0539","","","0.1106","0.1186","","","","","","1.034","","","","has coordinates","185657","2020-10-21","18:00:00",""
"7155170","7.6135","0.0008","13.282","0.002","18.5374","0.0011","90","","90","","90","","1874.5","0.4","291.89","0.1","291.89","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","3-benzoyl-1-phenyl-1,5,6,10b-tetrahydropyrazolo[5,1-a]isoquinolin-2(3H)-one","","- C24 H20 N2 O2 -","- C24 H20 N2 O2 -","- C96 H80 N8 O8 -","4","1","","He, Liwenze; Liu, Lin; Han, Runfeng; Zhang, Weiwei; Xie, Xingang; She, Xuegong","Thermal 1,3-dipolar cycloaddition reaction of azomethine imines with active esters.","Organic & biomolecular chemistry","2016","14","28","6757","6761","10.1039/c6ob01095d","","","0.71073","MoKα","","0.1492","0.064","","","0.0989","0.1357","","","","","","0.975","","","","has coordinates","185661","2020-10-21","18:00:00",""
"7155171","8.4952","0.0002","9.1213","0.0002","14.963","0.0003","90","","90","","90","","1159.44","0.04","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C11 H16 O S2 -","- C11 H16 O S2 -","- C44 H64 O4 S8 -","4","1","","Diebler, J.; Spannenberg, A.; Werner, T.","Atom economical synthesis of di- and trithiocarbonates by the lithium tert-butoxide catalyzed addition of carbon disulfide to epoxides and thiiranes.","Organic & biomolecular chemistry","2016","14","31","7480","7489","10.1039/c6ob01081d","","","0.71073","MoKα","","0.0245","0.0235","","","0.0625","0.0635","","","","","","1.068","","","","has coordinates","185648","2020-10-21","18:00:00",""
"7155172","15.239","0.004","5.9523","0.0015","16.588","0.004","90","","109.134","0.003","90","","1421.5","0.6","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Compound 5a","","","- C14 H16 N4 O S -","- C14 H16 N4 O S -","- C56 H64 N16 O4 S4 -","4","1","","Boga, Carla; Cino, Silvia; Micheletti, Gabriele; Padovan, Daniele; Prati, Luca; Mazzanti, Andrea; Zanna, Nicola","New azo-decorated N-pyrrolidinylthiazoles: synthesis, properties and an unexpected remote substituent effect transmission.","Organic & biomolecular chemistry","2016","14","29","7061","7068","10.1039/c6ob00994h","","","0.71073","MoKα","","0.0494","0.0393","","","0.1039","0.1124","","","","","","1.025","","","","has coordinates","185656","2020-10-21","18:00:00",""
"7155173","6.0819","0.0003","32.2686","0.0017","7.3498","0.0004","90","","109.852","0.002","90","","1356.71","0.12","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","compound 3a","","","- C13 H13 N5 O2 S -","- C13 H13 N5 O2 S -","- C52 H52 N20 O8 S4 -","4","1","","Boga, Carla; Cino, Silvia; Micheletti, Gabriele; Padovan, Daniele; Prati, Luca; Mazzanti, Andrea; Zanna, Nicola","New azo-decorated N-pyrrolidinylthiazoles: synthesis, properties and an unexpected remote substituent effect transmission.","Organic & biomolecular chemistry","2016","14","29","7061","7068","10.1039/c6ob00994h","","","0.71073","MoKα","","0.0477","0.0422","","","0.1223","0.1335","","","","","","1.06","","","","has coordinates","185656","2020-10-21","18:00:00",""
"7155174","8.9502","0.0006","9.1881","0.0005","11.6731","0.0008","83.963","0.006","70.783","0.005","77.642","0.005","884.82","0.1","98","","98","","","","","","","","","3","P -1","-P 1","2","","","","- C24 H23 N -","- C24 H23 N -","- C48 H46 N2 -","2","1","","Herrera, Lizzi; Stephens, David E.; D'Avila, Abigail; George, Kathryn G.; Arman, Hadi; Zhang, Yu; Perry, George; Lleonart, Ricardo; Larionov, Oleg V.; Fernández, Patricia L","Insights into the structural patterns of the antileishmanial activity of bi- and tricyclic N-heterocycles.","Organic & biomolecular chemistry","2016","14","29","7053","7060","10.1039/c6ob01149g","","","0.71075","MoKα","","0.0462","0.041","","","0.1063","0.1105","","","","","","1.039","","","","has coordinates","185654","2020-10-21","18:00:00",""
"7155175","11.461","0.003","18.171","0.005","7.917","0.002","90","","106.77","0.004","90","","1578.7","0.7","98","","98","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C8 H8 Cl N O -","- C8 H8 Cl N O -","- C64 H64 Cl8 N8 O8 -","8","2","","Herrera, Lizzi; Stephens, David E.; D'Avila, Abigail; George, Kathryn G.; Arman, Hadi; Zhang, Yu; Perry, George; Lleonart, Ricardo; Larionov, Oleg V.; Fernández, Patricia L","Insights into the structural patterns of the antileishmanial activity of bi- and tricyclic N-heterocycles.","Organic & biomolecular chemistry","2016","14","29","7053","7060","10.1039/c6ob01149g","","","0.71075","MoKα","","0.0341","0.0328","","","0.0803","0.0816","","","","","","1.057","","","","has coordinates","185654","2020-10-21","18:00:00",""
"7155176","6.819","0.0012","8.4731","0.0015","17.387","0.003","91.13","0.004","90.978","0.005","96.993","0.004","996.7","0.3","98","","98","","","","","","","","","4","P -1","-P 1","2","","","","- C26 H26 N2 O -","- C26 H26 N2 O -","- C52 H52 N4 O2 -","2","1","","Herrera, Lizzi; Stephens, David E.; D'Avila, Abigail; George, Kathryn G.; Arman, Hadi; Zhang, Yu; Perry, George; Lleonart, Ricardo; Larionov, Oleg V.; Fernández, Patricia L","Insights into the structural patterns of the antileishmanial activity of bi- and tricyclic N-heterocycles.","Organic & biomolecular chemistry","2016","14","29","7053","7060","10.1039/c6ob01149g","","","0.71075","MoKα","","0.0489","0.0448","","","0.1127","0.1168","","","","","","1.029","","","","has coordinates","185654","2020-10-21","18:00:00",""
"7155177","9.059","0.002","9.9601","0.0019","11.1789","0.0018","114.934","0.008","101.127","0.013","92.311","0.014","889","0.3","98","2","98","2","","","","","","","","4","P -1","-P 1","2","","(4aR^*^,9aR^*^)-4a,9-diallyl-3-phenyl-4,4a,9,9a-tetrahydro-[1,2]oxazino [6,5-b]indole","","- C22 H22 N2 O -","- C22 H22 N2 O -","- C44 H44 N4 O2 -","2","1","","Herrera, Lizzi; Stephens, David E.; D'Avila, Abigail; George, Kathryn G.; Arman, Hadi; Zhang, Yu; Perry, George; Lleonart, Ricardo; Larionov, Oleg V.; Fernández, Patricia L","Insights into the structural patterns of the antileishmanial activity of bi- and tricyclic N-heterocycles.","Organic & biomolecular chemistry","2016","14","29","7053","7060","10.1039/c6ob01149g","","","0.71073","MoKα","","0.0476","0.0438","","","0.0907","0.0931","","","","","","1.019","","","","has coordinates","185654","2020-10-21","18:00:00",""
"7155178","9.1842","0.0015","10.542","0.002","11.953","0.002","84.992","0.011","72.078","0.011","74.256","0.011","1059.8","0.3","98","","98","","","","","","","","","5","P -1","-P 1","2","","(4aR,9aR)-6-bromo-4a-ethyl-9-(2-methylbenzyl)-3-phenyl-4,4a,9,9a-tetrahydro-[1,2]oxazino[6,5-b]indole","","- C26 H25 Br N2 O -","- C26 H25 Br N2 O -","- C52 H50 Br2 N4 O2 -","2","1","","Herrera, Lizzi; Stephens, David E.; D'Avila, Abigail; George, Kathryn G.; Arman, Hadi; Zhang, Yu; Perry, George; Lleonart, Ricardo; Larionov, Oleg V.; Fernández, Patricia L","Insights into the structural patterns of the antileishmanial activity of bi- and tricyclic N-heterocycles.","Organic & biomolecular chemistry","2016","14","29","7053","7060","10.1039/c6ob01149g","","","0.71073","MoKα","","0.0416","0.0377","","","0.0867","0.0885","","","","","","1.021","","","","has coordinates","185654","2020-10-21","18:00:00",""
"7155179","8.2558","0.0006","10.1328","0.0007","13.9082","0.0011","77.492","0.006","79.13","0.006","85.572","0.006","1114.68","0.15","293","2","293.15","","","","","","","","","5","P -1","-P 1","2","","","","- C26 H22 N4 O3 S -","- C26 H22 N4 O3 S -","- C52 H44 N8 O6 S2 -","2","1","","Ding, Hualong; Peng, Zhixing; Wang, Jinjin; Lu, Ping; Wang, Yanguang","Preparation of 3-azoindoles and 3-hydrazonoindolin-2-imines as well as their applications as NNO pincer ligands for boron.","Organic & biomolecular chemistry","2016","14","29","7114","7118","10.1039/c6ob01247g","","","0.71073","MoKα","","0.0746","0.0505","","","0.1265","0.1446","","","","","","1.031","","","","has coordinates","185658","2020-10-21","18:00:00",""
"7155180","11.8786","0.0008","14.6539","0.0007","14.7921","0.001","90","","112.989","0.008","90","","2370.3","0.3","293","2","293.15","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C26 H20 B F N4 O3 S -","- C26 H20 B F N4 O3 S -","- C104 H80 B4 F4 N16 O12 S4 -","4","1","","Ding, Hualong; Peng, Zhixing; Wang, Jinjin; Lu, Ping; Wang, Yanguang","Preparation of 3-azoindoles and 3-hydrazonoindolin-2-imines as well as their applications as NNO pincer ligands for boron.","Organic & biomolecular chemistry","2016","14","29","7114","7118","10.1039/c6ob01247g","","","0.71073","MoKα","","0.0566","0.0399","","","0.0945","0.1057","","","","","","1.017","","","","has coordinates","185658","2020-10-21","18:00:00",""
"7155181","33.094","0.003","9.7382","0.0007","15.8855","0.0011","90","","96.54","0.007","90","","5086.2","0.7","293","2","293.15","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C26 H26 N4 O4 S -","- C26 H26 N4 O4 S -","- C208 H208 N32 O32 S8 -","8","1","","Ding, Hualong; Peng, Zhixing; Wang, Jinjin; Lu, Ping; Wang, Yanguang","Preparation of 3-azoindoles and 3-hydrazonoindolin-2-imines as well as their applications as NNO pincer ligands for boron.","Organic & biomolecular chemistry","2016","14","29","7114","7118","10.1039/c6ob01247g","","","0.71073","MoKα","","0.0972","0.0531","","","0.1287","0.1563","","","","","","1.02","","","","has coordinates","185658","2020-10-21","18:00:00",""
"7155182","10.6347","0.0007","5.7454","0.0004","25.1891","0.0015","90","","94.578","0.002","90","","1534.16","0.17","293","2","293","2","","","","","","","man made","5","P 1 21 1","P 2yb","4","no","Dimethyl-2-(1-(4-bromophenyl)allyl)-2-fluoromalonate","","- C14 H14 Br F O4 -","- C14 H14 Br F O4 -","- C56 H56 Br4 F4 O16 -","4","2","","Zhang, Hongbo; Chen, Jiteng; Zhao, Xiao-Ming","Enantioselective synthesis of fluorinated branched allylic compounds via Ir-catalyzed allylations of functionalized fluorinated methylene derivatives.","Organic & biomolecular chemistry","2016","14","30","7183","7186","10.1039/c6ob01246a","","","1.54178","CuKα","","0.0545","0.0519","","","0.1461","0.1493","","","","","","1.056","","","","has coordinates","185625","2020-10-21","18:00:00",""
"7155183","12.5012","0.0006","16.1346","0.0007","7.6541","0.0004","90","","106.967","0.002","90","","1476.65","0.12","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(Z)-5-(4-methylbenzylidene)-2-(piperidin-1-yl)thiazol-4(5H)-one","","- C16 H18 N2 O S -","- C16 H18 N2 O S -","- C64 H72 N8 O4 S4 -","4","1","","Bathula, Chandramohan; Tripathi, Sayantan; Srinivasan, Ramprasad; Jha, Kunal Kumar; Ganguli, Arnab; Chakrabarti, G.; Singh, Shailja; Munshi, Parthapratim; Sen, Subhabrata","Synthesis of novel 5-arylidenethiazolidinones with apoptotic properties via a three component reaction using piperidine as a bifunctional reagent.","Organic & biomolecular chemistry","2016","14","34","8053","8063","10.1039/c6ob01257d","","","0.71073","MoKα","","0.0947","0.0561","","","0.1133","0.1272","","","","","","1.092","","","","has coordinates","186485","2020-10-21","18:00:00",""
"7155184","10.0466","0.0004","7.7834","0.0003","22.9774","0.001","90","","93.92","0.002","90","","1792.55","0.13","297","2","297","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(Z)-2-(piperidin-1-yl)-5-(2,4,5-trimethoxybenzylidene)thiazol-4(5H)-one","","- C18 H22 N2 O4 S -","- C18 H22 N2 O4 S -","- C72 H88 N8 O16 S4 -","4","1","","Bathula, Chandramohan; Tripathi, Sayantan; Srinivasan, Ramprasad; Jha, Kunal Kumar; Ganguli, Arnab; Chakrabarti, G.; Singh, Shailja; Munshi, Parthapratim; Sen, Subhabrata","Synthesis of novel 5-arylidenethiazolidinones with apoptotic properties via a three component reaction using piperidine as a bifunctional reagent.","Organic & biomolecular chemistry","2016","14","34","8053","8063","10.1039/c6ob01257d","","","0.71073","MoKα","","0.0614","0.042","","","0.0976","0.1066","","","","","","1.023","","","","has coordinates","186485","2020-10-21","18:00:00",""
"7155185","7.303","0.003","16.637","0.005","12.598","0.005","90","","97.725","0.013","90","","1516.8","1","297","2","297","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(Z)-5-(3-hydroxy-4-methoxybenzylidene)-2-(piperidin-1-yl)thiazol-4(5H)-one","","- C16 H18 N2 O3 S -","- C16 H18 N2 O3 S -","- C64 H72 N8 O12 S4 -","4","1","","Bathula, Chandramohan; Tripathi, Sayantan; Srinivasan, Ramprasad; Jha, Kunal Kumar; Ganguli, Arnab; Chakrabarti, G.; Singh, Shailja; Munshi, Parthapratim; Sen, Subhabrata","Synthesis of novel 5-arylidenethiazolidinones with apoptotic properties via a three component reaction using piperidine as a bifunctional reagent.","Organic & biomolecular chemistry","2016","14","34","8053","8063","10.1039/c6ob01257d","","","0.71073","MoKα","","0.0727","0.0447","","","0.0931","0.1042","","","","","","1.079","","","","has coordinates","186485","2020-10-21","18:00:00",""
"7155186","12.7194","0.0004","8.0294","0.0003","16.4422","0.0006","90","","105.304","0.001","90","","1619.68","0.1","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","(Z)-5-(4-(dimethylamino)benzylidene)-2-(piperidin-1-yl)thiazol-4(5H)-one","","- C17 H21 N3 O S -","- C17 H21 N3 O S -","- C68 H84 N12 O4 S4 -","4","1","","Bathula, Chandramohan; Tripathi, Sayantan; Srinivasan, Ramprasad; Jha, Kunal Kumar; Ganguli, Arnab; Chakrabarti, G.; Singh, Shailja; Munshi, Parthapratim; Sen, Subhabrata","Synthesis of novel 5-arylidenethiazolidinones with apoptotic properties via a three component reaction using piperidine as a bifunctional reagent.","Organic & biomolecular chemistry","2016","14","34","8053","8063","10.1039/c6ob01257d","","","0.71073","MoKα","","0.0559","0.0438","","","0.1097","0.1167","","","","","","1.029","","","","has coordinates","186485","2020-10-21","18:00:00",""
"7155187","8.5748","0.0003","16.5115","0.0005","10.8532","0.0004","90","","100.922","0.001","90","","1508.79","0.09","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","(Z)-5-(4-methoxybenzylidene)-2-(piperidin-1-yl)thiazol-4(5H)-one","","- C16 H18 N2 O2 S -","- C16 H18 N2 O2 S -","- C64 H72 N8 O8 S4 -","4","1","","Bathula, Chandramohan; Tripathi, Sayantan; Srinivasan, Ramprasad; Jha, Kunal Kumar; Ganguli, Arnab; Chakrabarti, G.; Singh, Shailja; Munshi, Parthapratim; Sen, Subhabrata","Synthesis of novel 5-arylidenethiazolidinones with apoptotic properties via a three component reaction using piperidine as a bifunctional reagent.","Organic & biomolecular chemistry","2016","14","34","8053","8063","10.1039/c6ob01257d","","","0.71073","MoKα","","0.0419","0.0333","","","0.0799","0.0847","","","","","","1.035","","","","has coordinates","186485","2020-10-21","18:00:00",""
"7155188","14.6019","0.0006","15.8336","0.0005","7.5085","0.0003","90","","90.141","0.002","90","","1735.96","0.11","297","2","297","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(Z)-2-(piperidin-1-yl)-5-(4-propoxybenzylidene)thiazol-4(5H)-one","","- C18 H22 N2 O2 S -","- C18 H22 N2 O2 S -","- C72 H88 N8 O8 S4 -","4","1","","Bathula, Chandramohan; Tripathi, Sayantan; Srinivasan, Ramprasad; Jha, Kunal Kumar; Ganguli, Arnab; Chakrabarti, G.; Singh, Shailja; Munshi, Parthapratim; Sen, Subhabrata","Synthesis of novel 5-arylidenethiazolidinones with apoptotic properties via a three component reaction using piperidine as a bifunctional reagent.","Organic & biomolecular chemistry","2016","14","34","8053","8063","10.1039/c6ob01257d","","","0.71073","MoKα","","0.074","0.0472","","","0.109","0.1213","","","","","","1.037","","","","has coordinates","186485","2020-10-21","18:00:00",""
"7155189","13.1879","0.0008","8.2959","0.0004","16.8693","0.001","90","","111.933","0.002","90","","1712.01","0.17","297","2","297","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(Z)-5-(4-methoxy-2,3-dimethylbenzylidene)-2-(piperidin-1-yl)thiazol-4(5H)-one","","- C18 H22 N2 O2 S -","- C18 H22 N2 O2 S -","- C72 H88 N8 O8 S4 -","4","1","","Bathula, Chandramohan; Tripathi, Sayantan; Srinivasan, Ramprasad; Jha, Kunal Kumar; Ganguli, Arnab; Chakrabarti, G.; Singh, Shailja; Munshi, Parthapratim; Sen, Subhabrata","Synthesis of novel 5-arylidenethiazolidinones with apoptotic properties via a three component reaction using piperidine as a bifunctional reagent.","Organic & biomolecular chemistry","2016","14","34","8053","8063","10.1039/c6ob01257d","","","0.71073","MoKα","","0.0573","0.041","","","0.1007","0.1101","","","","","","1.032","","","","has coordinates","186485","2020-10-21","18:00:00",""
"7155190","19.808","0.002","19.648","0.002","7.5797","0.0008","90","","95.378","0.004","90","","2936.9","0.5","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(Z)-5-(2-methylbenzylidene)-2-(piperidin-1-yl)thiazol-4(5H)-one","","- C16 H18 N2 O S -","- C16 H18 N2 O S -","- C128 H144 N16 O8 S8 -","8","2","","Bathula, Chandramohan; Tripathi, Sayantan; Srinivasan, Ramprasad; Jha, Kunal Kumar; Ganguli, Arnab; Chakrabarti, G.; Singh, Shailja; Munshi, Parthapratim; Sen, Subhabrata","Synthesis of novel 5-arylidenethiazolidinones with apoptotic properties via a three component reaction using piperidine as a bifunctional reagent.","Organic & biomolecular chemistry","2016","14","34","8053","8063","10.1039/c6ob01257d","","","0.71073","MoKα","","0.1514","0.0635","","","0.1073","0.1341","","","","","","1.026","","","","has coordinates","186485","2020-10-21","18:00:00",""
"7155191","6.9066","0.0006","10.3537","0.001","12.5514","0.0013","96.955","0.004","103.338","0.003","100.576","0.003","845.87","0.14","300","2","300","2","","","","","","","","5","P -1","-P 1","2","","(Z)-5-(2,3-dimethoxybenzylidene)-2-(piperidin-1-yl)thiazol-4(5H)-one","","- C17 H20 N2 O3 S -","- C17 H20 N2 O3 S -","- C34 H40 N4 O6 S2 -","2","1","","Bathula, Chandramohan; Tripathi, Sayantan; Srinivasan, Ramprasad; Jha, Kunal Kumar; Ganguli, Arnab; Chakrabarti, G.; Singh, Shailja; Munshi, Parthapratim; Sen, Subhabrata","Synthesis of novel 5-arylidenethiazolidinones with apoptotic properties via a three component reaction using piperidine as a bifunctional reagent.","Organic & biomolecular chemistry","2016","14","34","8053","8063","10.1039/c6ob01257d","","","0.71073","MoKα","","0.047","0.0389","","","0.1052","0.1122","","","","","","1.038","","","","has coordinates","186485","2020-10-21","18:00:00",""
"7155192","8.3333","0.0006","16.8148","0.0012","10.7927","0.0008","90","","103.96","0.002","90","","1467.64","0.18","299","2","299","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","(Z)-5-(benzo[d][1,3]dioxol-4-ylmethylene)-2-(piperidin-1-yl)thiazol-4(5H)-one","","- C16 H16 N2 O3 S -","- C16 H16 N2 O3 S -","- C64 H64 N8 O12 S4 -","4","1","","Bathula, Chandramohan; Tripathi, Sayantan; Srinivasan, Ramprasad; Jha, Kunal Kumar; Ganguli, Arnab; Chakrabarti, G.; Singh, Shailja; Munshi, Parthapratim; Sen, Subhabrata","Synthesis of novel 5-arylidenethiazolidinones with apoptotic properties via a three component reaction using piperidine as a bifunctional reagent.","Organic & biomolecular chemistry","2016","14","34","8053","8063","10.1039/c6ob01257d","","","0.71073","MoKα","","0.064","0.0403","","","0.0869","0.0959","","","","","","1.088","","","","has coordinates","186485","2020-10-21","18:00:00",""
"7155193","19.3839","0.0006","7.788","0.0003","20.9133","0.0008","90","","90","","90","","3157.1","0.2","299","2","299","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","(Z)-5-(naphthalen-1-ylmethylene)-2-(piperidin-1-yl)thiazol-4(5H)-one","","- C19 H18 N2 O S -","- C19 H18 N2 O S -","- C152 H144 N16 O8 S8 -","8","1","","Bathula, Chandramohan; Tripathi, Sayantan; Srinivasan, Ramprasad; Jha, Kunal Kumar; Ganguli, Arnab; Chakrabarti, G.; Singh, Shailja; Munshi, Parthapratim; Sen, Subhabrata","Synthesis of novel 5-arylidenethiazolidinones with apoptotic properties via a three component reaction using piperidine as a bifunctional reagent.","Organic & biomolecular chemistry","2016","14","34","8053","8063","10.1039/c6ob01257d","","","0.71073","MoKα","","0.0713","0.0436","","","0.0865","0.0956","","","","","","1.065","","","","has coordinates","186485","2020-10-21","18:00:00",""
"7155194","7.958","0.003","9.449","0.003","19.866","0.006","90","","90","","90","","1493.8","0.9","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C18 H12 Cl F O3 -","- C18 H12 Cl F O3 -","- C72 H48 Cl4 F4 O12 -","4","1","","Sha, Wanxing; Zhang, Lijun; Zhang, Wenzhong; Mei, Haibo; Soloshonok, Vadim A.; Han, Jianlin; Pan, Yi","Catalytic cascade aldol-cyclization of tertiary ketone enolates for enantioselective synthesis of keto-esters with a C-F quaternary stereogenic center.","Organic & biomolecular chemistry","2016","14","30","7295","7303","10.1039/c6ob01152g","","","0.71073","MoKα","","0.0787","0.0384","","","0.0688","0.0822","","","","","","0.995","","","","has coordinates","185622","2020-10-21","18:00:00",""
"7155195","4.7369","0.0004","24.686","0.002","12.2902","0.0013","90","","99.492","0.003","90","","1417.5","0.2","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C18 H12 N2 O2 -","- C18 H12 N2 O2 -","- C72 H48 N8 O8 -","4","1","","Üçüncü, Muhammed; Cantürk, Ceren; Karakuş, Erman; Zeybek, Hüseyin; Bozkaya, Uğur; Soydaş, Emine; Şahin, Ertan; Emrullahoğlu, Mustafa","A rare γ-pyranopyrazole skeleton: design, one-pot synthesis and computational study.","Organic & biomolecular chemistry","2016","14","31","7490","7494","10.1039/c6ob01099g","","","0.71073","MoKα","","0.112","0.0457","","","0.1014","0.1289","","","","","","0.998","","","","has coordinates","185652","2020-10-21","18:00:00",""
"7155196","11.82201","0.00013","19.9887","0.0002","23.1114","0.0003","90","","90","","90","","5461.38","0.11","150","0.1","150","0.1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C30 H46 O3 -","- C30 H46 O3 -","- C240 H368 O24 -","8","2","","Liu, Hong-Xin; Chen, Kai; Yuan, Yao; Xu, Zhi-Fang; Tan, Hai-Bo; Qiu, Sheng-Xiang","Rhodomentones A and B, novel meroterpenoids with unique NMR characteristics from Rhodomyrtus tomentosa.","Organic & biomolecular chemistry","2016","14","30","7354","7360","10.1039/c6ob01215a","","x-ray","1.54184","CuKα","","0.0327","0.0306","","","0.079","0.0812","","","","","","1.009","","","","has coordinates","185623","2020-10-21","18:00:00",""
"7155197","8.9592","0.0004","13.9166","0.0006","14.1101","0.0006","90","","92.4338","0.0013","90","","1757.68","0.13","100","2","99.98","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C18 H16 Br N O5 S -","- C18 H16 Br N O5 S -","- C72 H64 Br4 N4 O20 S4 -","4","1","","Cronin, Sarah A.; Gutiérrez Collar, Aarón; Gundala, Sivaji; Cornaggia, Claudio; Torrente, Esther; Manoni, Francesco; Botte, Astrid; Twamley, Brendan; Connon, Stephen J.","The first catalytic asymmetric cycloadditions of imines with an enolisable anhydride.","Organic & biomolecular chemistry","2016","14","29","6955","6959","10.1039/c6ob00048g","","x-ray","1.54178","CuKα","","0.0296","0.0288","","","0.0767","0.0773","","","","","","1.072","","","","has coordinates","185659","2020-10-21","18:00:00",""
"7155198","10.5138","0.0001","14.5405","0.0002","19.6851","0.0003","90","","90","","90","","3009.38","0.07","173","","173","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C38 H40 N P -","- C38 H40 N P -","- C152 H160 N4 P4 -","4","1","","Mino, Takashi; Nishikawa, Kenji; Asano, Moeko; Shima, Yamato; Ebisawa, Toshibumi; Yoshida, Yasushi; Sakamoto, Masami","Chiral N-1-adamantyl-N-trans-cinnamylaniline type ligands: synthesis and application to palladium-catalyzed asymmetric allylic alkylation of indoles.","Organic & biomolecular chemistry","2016","14","31","7509","7519","10.1039/c6ob01354f","","","1.54178","CuKα","","0.0348","0.0338","","","0.0942","0.095","","","","","","1.022","","","","has coordinates","185651","2020-10-21","18:00:00",""
"7155199","10.6196","0.0001","22.1572","0.0002","26.8016","0.0003","90","","90","","90","","6306.43","0.11","173","","173","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C41 H40 N P -","- C41 H40 N P -","- C328 H320 N8 P8 -","8","2","","Mino, Takashi; Nishikawa, Kenji; Asano, Moeko; Shima, Yamato; Ebisawa, Toshibumi; Yoshida, Yasushi; Sakamoto, Masami","Chiral N-1-adamantyl-N-trans-cinnamylaniline type ligands: synthesis and application to palladium-catalyzed asymmetric allylic alkylation of indoles.","Organic & biomolecular chemistry","2016","14","31","7509","7519","10.1039/c6ob01354f","","","1.54178","CuKα","","0.0408","0.0393","","","0.1051","0.1066","","","","","","1.028","","","","has coordinates,has disorder","185651","2020-10-21","18:00:00",""
"7155200","10.5997","0.0003","14.5202","0.0004","21.027","0.0006","90","","90","","90","","3236.26","0.16","173","","173","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C41 H42 N P -","- C41 H42 N P -","- C164 H168 N4 P4 -","4","1","","Mino, Takashi; Nishikawa, Kenji; Asano, Moeko; Shima, Yamato; Ebisawa, Toshibumi; Yoshida, Yasushi; Sakamoto, Masami","Chiral N-1-adamantyl-N-trans-cinnamylaniline type ligands: synthesis and application to palladium-catalyzed asymmetric allylic alkylation of indoles.","Organic & biomolecular chemistry","2016","14","31","7509","7519","10.1039/c6ob01354f","","","1.54178","CuKα","","0.0382","0.0375","","","0.1033","0.1041","","","","","","1.032","","","","has coordinates","185651","2020-10-21","18:00:00",""
"7155201","24.8942","0.0005","24.8942","0.0005","24.8942","0.0005","90","","90","","90","","15427.5","0.5","150","2","150","2","","","","","","","","4","F 41 3 2","F 4d 2 3","210","","","","- C72 H80 N12 O4 -","- C72 H79.9992 N12 O3.9996 -","- C576 H639.994 N96 O31.9968 -","8","0.0833333","","Petryk, M.; Szymkowiak, J.; Gierczyk, B.; Spólnik, G; Popenda, Ł; Janiak, A.; Kwit, M.","Chiral, triformylphenol-derived salen-type [4 + 6] organic cages.","Organic & biomolecular chemistry","2016","14","31","7495","7499","10.1039/c6ob01429a","","","1.54184","CuKα","","0.1114","0.1104","","","0.2882","0.2918","","","","","","1.431","","","","has coordinates","185653","2020-10-21","18:00:00",""
"7155202","9.2519","0.0011","9.9263","0.0012","18.4119","0.0019","90","","90","","90","","1690.9","0.3","125","","125","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C21 H22 O3 -","- C21 H22 O3 -","- C84 H88 O12 -","4","1","","Barrios Antúnez, Diego-Javier; Greenhalgh, Mark D.; Fallan, Charlene; Slawin, Alexandra M. Z.; Smith, Andrew D.","Enantioselective synthesis of 2,3-disubstituted trans-2,3-dihydrobenzofurans using a Brønsted base/thiourea bifunctional catalyst.","Organic & biomolecular chemistry","2016","14","30","7268","7274","10.1039/c6ob01326k","","","1.54187","CuKα","","0.0264","0.026","","","0.0704","0.0708","","","","","","1.055","","","","has coordinates","185624","2020-10-21","18:00:00",""
"7155203","8.932","0.0015","6.9867","0.0012","27.957","0.005","90","","96.869","0.003","90","","1732.1","0.5","223","2","223","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C23 H19 N O -","- C23 H19 N O -","- C92 H76 N4 O4 -","4","1","","Yuan, Xiaoqian; Wu, Xinxin; Dong, Shupeng; Wu, Guibing; Ye, Jinxing","Brønsted acid cocatalysis in photocatalytic intramolecular coupling of tertiary amines: efficient synthesis of 2-arylindols.","Organic & biomolecular chemistry","2016","14","31","7447","7450","10.1039/c6ob01239f","","","0.71073","MoKα","","0.0566","0.0475","","","0.1348","0.1442","","","","","","1.052","","","","has coordinates","185649","2020-10-21","18:00:00",""
"7155204","9.246","0.004","21.733","0.01","8.69","0.004","90","","99.084","0.006","90","","1724.3","1.3","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H19 N O -","- C24 H19 N O -","- C96 H76 N4 O4 -","4","1","","Yuan, Xiaoqian; Wu, Xinxin; Dong, Shupeng; Wu, Guibing; Ye, Jinxing","Brønsted acid cocatalysis in photocatalytic intramolecular coupling of tertiary amines: efficient synthesis of 2-arylindols.","Organic & biomolecular chemistry","2016","14","31","7447","7450","10.1039/c6ob01239f","","","0.71073","MoKα","","0.0919","0.0553","","","0.1231","0.1342","","","","","","0.931","","","","has coordinates","185649","2020-10-21","18:00:00",""
"7155205","11.7409","0.0003","11.8595","0.0003","11.9319","0.0003","64.089","0.003","82.18","0.002","86.755","0.002","1480.49","0.08","173","0.1","173","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C32 H26 O12 S -","- C32 H26 O12 S -","- C64 H52 O24 S2 -","2","1","","Zhao, Xia; Deng, Zhijie; Wei, Aoqi; Li, Boyang; Lu, Kui","Iodine-catalysed regioselective thiolation of flavonoids using sulfonyl hydrazides as sulfenylation reagents.","Organic & biomolecular chemistry","2016","14","30","7304","7312","10.1039/c6ob01006g","","x-ray","1.54184","CuKα","","0.046","0.0414","","","0.1071","0.1125","","","","","","1.051","","","","has coordinates","185626","2020-10-21","18:00:00",""
"7155206","7.0964","0.0005","11.9998","0.0008","14.4434","0.0011","90","","98.551","0.006","90","","1216.26","0.15","298","2","298.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","7,8-dimethyl-11H-benzo[4,5]imidazo[1,2-a]indol-11-one","","- C16 H12 N2 O -","- C16 H12 N2 O -","- C64 H48 N8 O4 -","4","1","","Mai, Shaoyu; Zhao, Yingwei; Song, Qiuling","Chemoselective acylation of benzimidazoles with phenylacetic acids under different Cu catalysts to give fused five-membered N-heterocycles or tertiary amides.","Organic & biomolecular chemistry","2016","14","37","8685","8690","10.1039/c6ob01167e","","","0.71073","MoKα","","0.0793","0.0528","","","0.1149","0.1286","","","","","","1.051","","","","has coordinates","187195","2020-10-21","18:00:00",""
"7155207","7.106","0.006","6.266","0.006","22.6","0.02","90","","96.873","0.014","90","","999.1","1.6","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C11 H10 F N O2 -","- C11 H10 F N O2 -","- C44 H40 F4 N4 O8 -","4","1","","Zhu, Guohao; Qiu, Shineng; Xi, Yang; Ding, Yao; Zhang, Dongming; Zhang, Rong; He, Guangke; Zhu, Hongjun","(IPr)CuF-catalyzed α-site regiocontrolled trans-hydrofluorination of ynamides.","Organic & biomolecular chemistry","2016","14","32","7746","7753","10.1039/c6ob01345g","","","0.71073","MoKα","","0.085","0.0654","","","0.2048","0.224","","","","","","1.067","","","","has coordinates","186489","2020-10-21","18:00:00",""
"7155208","4.9191","0.0002","6.2146","0.0002","13.1151","0.0006","90","","95.211","0.002","90","","399.27","0.03","173","2","173","2","","","","","","","synthesis as described","6","P 1 21 1","P 2yb","4","","5-bromo-4-fluoro-2-nitrobenzaldehyde","","- C7 H3 Br F N O3 -","- C7 H3 Br F N O3 -","- C14 H6 Br2 F2 N2 O6 -","2","1","","Close, Adam J.; Jones, Rhiannon N.; Ocasio, Cory A.; Kemmitt, Paul; Roe, S. Mark; Spencer, John","Elaboration of tetra-orthogonally-substituted aromatic scaffolds towards novel EGFR-kinase inhibitors.","Organic & biomolecular chemistry","2016","14","35","8246","8252","10.1039/c6ob01394e","","x-ray","0.71073","MoKα","","0.0709","0.0658","","","0.1519","0.1575","","","","","","1.088","","","","has coordinates","186476","2020-10-21","18:00:00",""
"7155209","10.6934","0.0004","9.7396","0.0003","7.4999","0.0002","90","","96.086","0.002","90","","776.71","0.04","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","4-bromo-2-fluoro-5-nitrobenzaldehyde","","- C7 H3 Br F N O3 -","- C7 H3 Br F N O3 -","- C28 H12 Br4 F4 N4 O12 -","4","1","","Close, Adam J.; Jones, Rhiannon N.; Ocasio, Cory A.; Kemmitt, Paul; Roe, S. Mark; Spencer, John","Elaboration of tetra-orthogonally-substituted aromatic scaffolds towards novel EGFR-kinase inhibitors.","Organic & biomolecular chemistry","2016","14","35","8246","8252","10.1039/c6ob01394e","","","0.71073","MoKα","","0.0347","0.0298","","","0.0758","0.0787","","","","","","1.101","","","","has coordinates,has disorder","186476","2020-10-21","18:00:00",""
"7155210","4.7733","0.0002","14.6188","0.0008","11.7159","0.0007","90","","93.404","0.002","90","","816.09","0.07","173","2","173","2","","","","","","","synthesis as described","6","P 1 21/c 1","-P 2ybc","14","","3-bromo-6-fluoro-2-nitrobenzaldehyde","","- C7 H3 Br F N O3 -","- C7 H3 Br F N O3 -","- C28 H12 Br4 F4 N4 O12 -","4","1","","Close, Adam J.; Jones, Rhiannon N.; Ocasio, Cory A.; Kemmitt, Paul; Roe, S. Mark; Spencer, John","Elaboration of tetra-orthogonally-substituted aromatic scaffolds towards novel EGFR-kinase inhibitors.","Organic & biomolecular chemistry","2016","14","35","8246","8252","10.1039/c6ob01394e","","x-ray","0.71073","MoKα","","0.0454","0.0308","","","0.0637","0.0674","","","","","","1.072","","","","has coordinates","186476","2020-10-21","18:00:00",""
"7155211","7.5275","0.0014","13.374","0.003","15.278","0.003","90","","90","","90","","1538.1","0.5","93","","93","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C17 H16 Br N O3 -","- C17 H16 Br N O3 -","- C68 H64 Br4 N4 O12 -","4","1","","Stark, Daniel G.; Williamson, Patrick; Gayner, Emma R.; Musolino, Stefania F.; Kerr, Ryan W. F.; Taylor, James E.; Slawin, Alexandra M. Z.; O'Riordan, Timothy J C; Macgregor, Stuart A.; Smith, Andrew D.","Isothiourea-catalysed enantioselective pyrrolizine synthesis: synthetic and computational studies.","Organic & biomolecular chemistry","2016","14","38","8957","8965","10.1039/c6ob01557c","","","0.71075","MoKα","","0.0449","0.0373","","","0.0723","0.074","","","","","","0.918","","","","has coordinates","187175","2020-10-21","18:00:00",""
"7155212","8.0275","0.0014","11.093","0.002","17.321","0.003","90","","90","","90","","1542.4","0.5","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C16 H15 Cl N4 O -","- C16 H15 Cl N4 O -","- C64 H60 Cl4 N16 O4 -","4","1","","Chen, Long; Xing, Haotian; Zhang, Huaibin; Jiang, Zhong-Xing; Yang, Zhigang","Copper-catalyzed intermolecular chloroazidation of α,β-unsaturated amides.","Organic & biomolecular chemistry","2016","14","31","7463","7467","10.1039/c6ob01352j","","","0.71073","MoKα","","0.053","0.0404","","","0.0974","0.1061","","","","","","1.034","","","","has coordinates","185650","2020-10-21","18:00:00",""
"7155213","10.8827","0.0002","7.0798","0.0002","15.4121","0.0003","90","","100.53","0.0012","90","","1167.47","0.05","93","2","93","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C12 H9 Br N4 -","- C12 H9 Br N4 -","- C48 H36 Br4 N16 -","4","2","","Haketa, Yohei; Tamura, Yuki; Yasuda, Nobuhiro; Maeda, Hiromitsu","Dipyrrolylpyrimidines as anion-responsive π-electronic systems.","Organic & biomolecular chemistry","2016","14","34","8035","8038","10.1039/c6ob01466f","","","1.54187","CuKα","","0.0621","0.0522","","","0.1052","0.1128","","","","","","1.039","","","","has coordinates","186486","2020-10-21","18:00:00",""
"7155214","13.25","0.0007","4.9503","0.0003","15.2995","0.0008","90","","102.893","0.004","90","","978.22","0.1","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C12 H10 N4 -","- C12 H10 N4 -","- C48 H40 N16 -","4","1","","Haketa, Yohei; Tamura, Yuki; Yasuda, Nobuhiro; Maeda, Hiromitsu","Dipyrrolylpyrimidines as anion-responsive π-electronic systems.","Organic & biomolecular chemistry","2016","14","34","8035","8038","10.1039/c6ob01466f","","","0.78201","Synchrotron","","0.1039","0.0546","","","0.1233","0.1866","","","","","","1.153","","","","has coordinates","186486","2020-10-21","18:00:00",""
"7155215","13.262","0.005","5.685","0.002","25.48","0.009","90","","101.506","0.001","90","","1882.4","1.2","93","2","93","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C24 H17 Br N4 -","- C24 H17 Br N4 -","- C96 H68 Br4 N16 -","4","1","","Haketa, Yohei; Tamura, Yuki; Yasuda, Nobuhiro; Maeda, Hiromitsu","Dipyrrolylpyrimidines as anion-responsive π-electronic systems.","Organic & biomolecular chemistry","2016","14","34","8035","8038","10.1039/c6ob01466f","","","1.54187","CuKα","","0.0221","0.0215","","","0.0569","0.0575","","","","","","1.061","","","","has coordinates","186486","2020-10-21","18:00:00",""
"7155216","18.4725","0.0003","8.3873","0.0001","19.5557","0.0004","90","","90","","90","","3029.85","0.09","93","2","93","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C28 H45 Br Cl N5 O -","- C28 H45 Br Cl N5 O -","- C112 H180 Br4 Cl4 N20 O4 -","4","1","","Haketa, Yohei; Tamura, Yuki; Yasuda, Nobuhiro; Maeda, Hiromitsu","Dipyrrolylpyrimidines as anion-responsive π-electronic systems.","Organic & biomolecular chemistry","2016","14","34","8035","8038","10.1039/c6ob01466f","","","1.54187","CuKα","","0.0436","0.0372","","","0.0987","0.1068","","","","","","1.047","","","","has coordinates","186486","2020-10-21","18:00:00",""
"7155217","11.2758","0.0002","13.2794","0.0002","14.0394","0.0003","65.8676","0.0007","83.1022","0.0009","65.9622","0.0007","1749.38","0.06","93","2","93","2","","","","","","","","6","P 1","P 1","1","","","","- C40 H39 Br Cl N7 O0.5 -","- C40 H39 Br Cl N7 O0.5 -","- C80 H78 Br2 Cl2 N14 O -","2","2","","Haketa, Yohei; Tamura, Yuki; Yasuda, Nobuhiro; Maeda, Hiromitsu","Dipyrrolylpyrimidines as anion-responsive π-electronic systems.","Organic & biomolecular chemistry","2016","14","34","8035","8038","10.1039/c6ob01466f","","","1.54187","CuKα","","0.1079","0.0716","","","0.1647","0.2119","","","","","","1.115","","","","has coordinates","193656","2020-10-21","18:00:00",""
"7155218","14.189","0.003","10.9261","0.0018","14.233","0.003","90","","93.14","0.005","90","","2203.2","0.8","93","","93","","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C23.5 H16.5 Br Cl1.5 N O3 S -","- C23.5 H16.5 Br Cl1.5 N O3 S -","- C94 H66 Br4 Cl6 N4 O12 S4 -","4","2","","Stark, Daniel G.; Young, Claire M.; O'Riordan, Timothy J C; Slawin, Alexandra M. Z.; Smith, Andrew D.","Enantioselective isothiourea-catalysed trans-dihydropyridinone synthesis using saccharin-derived ketimines: scope and limitations.","Organic & biomolecular chemistry","2016","14","34","8068","8073","10.1039/c6ob01473a","","","0.71075","MoKα","","0.0565","0.0465","","","0.1089","0.1125","","","","","","0.918","","","","has coordinates","194155","2020-10-21","18:00:00",""
"7155219","5.3545","0.0014","11.656","0.003","15.876","0.004","90","","90","","90","","990.9","0.4","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C9 H10 Br Cl O -","- C9 H10 Br Cl O -","- C36 H40 Br4 Cl4 O4 -","4","1","","Huang, Wei-Sheng; Chen, Li; Zheng, Zhan-Jiang; Yang, Ke-Fang; Xu, Zheng; Cui, Yu-Ming; Xu, Li-Wen","Catalytic asymmetric bromochlorination of aromatic allylic alcohols promoted by multifunctional Schiff base ligands.","Organic & biomolecular chemistry","2016","14","33","7927","7932","10.1039/c6ob01306f","","","0.71073","MoKα","","0.0316","0.0279","","","0.0666","0.0679","","","","","","1.063","","","","has coordinates","186487","2020-10-21","18:00:00",""
"7155220","9.621","0.003","14.256","0.005","8.097","0.003","90","","111.224","0.005","90","","1035.2","0.6","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H20 N2 O4 S2 -","- C22 H20 N2 O4 S2 -","- C44 H40 N4 O8 S4 -","2","0.5","","Fang, Xinxin; Zhang, Kaifan; Yao, Hequan; Huang, Yue","Cu(i)-Catalyzed oxidative homo-coupling of thiazoline-4-carboxylates: synthesis of 4,4'-bithiazoline derivatives.","Organic & biomolecular chemistry","2016","14","34","8030","8034","10.1039/c6ob01471b","","","0.71073","MoKα","","0.0396","0.0324","","","0.0823","0.0867","","","","","","1.1","","","","has coordinates","186479","2020-10-21","18:00:00",""
"7155221","11.3995","0.0011","15.4075","0.0015","12.3398","0.0012","90","","97.817","0.002","90","","2147.2","0.4","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H20 N2 O4 S2 -","- C22 H20 N2 O4 S2 -","- C88 H80 N8 O16 S8 -","4","1","","Fang, Xinxin; Zhang, Kaifan; Yao, Hequan; Huang, Yue","Cu(i)-Catalyzed oxidative homo-coupling of thiazoline-4-carboxylates: synthesis of 4,4'-bithiazoline derivatives.","Organic & biomolecular chemistry","2016","14","34","8030","8034","10.1039/c6ob01471b","","","0.71073","MoKα","","0.0467","0.0385","","","0.0974","0.1058","","","","","","1.029","","","","has coordinates","186479","2020-10-21","18:00:00",""
"7155222","7.188","0.0002","11.2966","0.0003","15.7477","0.0003","84.309","0.002","86.703","0.002","73.529","0.002","1219.62","0.05","150","0.7","150","0.7","","","","","","","","5","P -1","-P 1","2","","","","- C14 H10 B Cl O2 -","- C14 H10 B Cl O2 -","- C56 H40 B4 Cl4 O8 -","4","2","","Benhamou, Laure; Walker, Daniel W.; Bučar, Dejan-Krešimir; Aliev, Abil E.; Sheppard, Tom D.","Synthesis of substituted benzooxaborinin-1-ols via palladium-catalysed cyclisation of alkenyl- and alkynyl-boronic acids.","Organic & biomolecular chemistry","2016","14","34","8039","8043","10.1039/c6ob01419d","","x-ray","1.54184","CuKα","","0.0309","0.029","","","0.0776","0.0793","","","","","","1.026","","","","has coordinates","186480","2020-10-21","18:00:00",""
"7155223","9.403","0.0003","10.4777","0.0004","36.3472","0.0012","90","","90","","90","","3581","0.2","296","","296","","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C33 H48 Cl N O4 S Sn -","- C33 H48 Cl N O4 S Sn -","- C132 H192 Cl4 N4 O16 S4 Sn4 -","4","1","","Kamimura, Akio; Tanaka, Toshiyuki; So, Masahiro; Itaya, Tomoyuki; Matsuda, Kantaro; Kawamoto, Takuji","A regioselective double Stille coupling reaction of bicyclic stannolanes.","Organic & biomolecular chemistry","2016","14","34","8109","8122","10.1039/c6ob01018k","","","0.71075","MoKα","","","0.0308","","","","0.0812","","","","","","1.05","","","","has coordinates","206489","2020-10-21","18:00:00",""
"7155224","12.596","0.004","5.504","0.0016","21.414","0.007","90","","100.229","0.004","90","","1461","0.8","173.15","","173.15","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C20 H17 N O -","- C20 H17 N O -","- C80 H68 N4 O4 -","4","1","","Wei, Simin; Feng, Xiangqing; Du, Haifeng","A metal-free hydrogenation of 3-substituted 2H-1,4-benzoxazines.","Organic & biomolecular chemistry","2016","14","34","8026","8029","10.1039/c6ob01556e","","","0.71073","MoKα","","0.0596","0.0545","","","0.1216","0.1251","","","","","","1.139","","","","has coordinates","186483","2020-10-21","18:00:00",""
"7155225","8.7998","0.0004","13.332","0.0006","12.0001","0.0006","90","","110.314","0.006","90","","1320.28","0.12","99.9","0.2","99.9","0.2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C32 H30 N2 O4 -","- C32 H30 N2 O4 -","- C64 H60 N4 O8 -","2","1","","Evans, Nicholas H.; Gell, Charles E.; Peach, Michael J. G.","The synthesis of a pyridine-N-oxide isophthalamide rotaxane utilizing supplementary amide hydrogen bond interactions.","Organic & biomolecular chemistry","2016","14","33","7972","7981","10.1039/c6ob01435f","","x-ray","1.54184","CuKα","","0.0564","0.0434","","","0.0972","0.104","","","","","","1.059","","","","has coordinates","186488","2020-10-21","18:00:00",""
"7155226","15.0431","0.0003","10.80301","0.00018","29.7705","0.0005","90","","96.8269","0.0017","90","","4803.72","0.15","99.9","0.3","99.9","0.3","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C48 H62 Cl3 N5 O8 -","- C48 H62 Cl3 N5 O8 -","- C192 H248 Cl12 N20 O32 -","4","1","","Evans, Nicholas H.; Gell, Charles E.; Peach, Michael J. G.","The synthesis of a pyridine-N-oxide isophthalamide rotaxane utilizing supplementary amide hydrogen bond interactions.","Organic & biomolecular chemistry","2016","14","33","7972","7981","10.1039/c6ob01435f","","x-ray","1.54184","CuKα","","0.0776","0.0692","","","0.2014","0.2091","","","","","","1.074","","","","has coordinates,has disorder","186488","2020-10-21","18:00:00",""
"7155227","8.4388","0.0003","8.4196","0.0002","21.5892","0.0006","90","","99.574","0.002","90","","1512.58","0.08","90","0.5","90","0.5","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C9 B Br6.13 Cl0.87 F2 N2 -","- C9 B Br6.1257 Cl0.8743 F2 N2 -","- C36 B4 Br24.5028 Cl3.4972 F8 N8 -","4","1","","Zhao, Ning; Xuan, Sunting; Byrd, Brandon; Fronczek, Frank R.; Smith, Kevin M.; Vicente, M Graça H","Synthesis and regioselective functionalization of perhalogenated BODIPYs.","Organic & biomolecular chemistry","2016","14","26","6184","6188","10.1039/c6ob00935b","","","0.71073","MoKα","","0.0435","0.0277","","","0.0533","0.0566","","","","","","1.014","","","","has coordinates","185078","2020-10-21","18:00:00",""
"7155228","8.3531","0.0005","8.5259","0.0005","20.703","0.0015","90","","99.009","0.005","90","","1456.23","0.16","90","0.5","90","0.5","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C9 B Br4 Cl3 F2 N2 -","- C9 B Br4 Cl3 F2 N2 -","- C36 B4 Br16 Cl12 F8 N8 -","4","1","","Zhao, Ning; Xuan, Sunting; Byrd, Brandon; Fronczek, Frank R.; Smith, Kevin M.; Vicente, M Graça H","Synthesis and regioselective functionalization of perhalogenated BODIPYs.","Organic & biomolecular chemistry","2016","14","26","6184","6188","10.1039/c6ob00935b","","","0.71073","MoKα","","0.0483","0.0297","","","0.0512","0.0548","","","","","","1.03","","","","has coordinates","185078","2020-10-21","18:00:00",""
"7155229","8.775","0.002","9.17","0.003","9.71","0.003","98.378","0.017","106.86","0.02","105.71","0.02","698.2","0.4","90","0.5","90","0.5","","","","","","","","6","P -1","-P 1","2","","","","- C9 B Br2 Cl5 F2 N2 -","- C9 B Br2 Cl5 F2 N2 -","- C18 B2 Br4 Cl10 F4 N4 -","2","1","","Zhao, Ning; Xuan, Sunting; Byrd, Brandon; Fronczek, Frank R.; Smith, Kevin M.; Vicente, M Graça H","Synthesis and regioselective functionalization of perhalogenated BODIPYs.","Organic & biomolecular chemistry","2016","14","26","6184","6188","10.1039/c6ob00935b","","","0.71073","MoKα","","0.0443","0.0348","","","0.0822","0.0864","","","","","","1.055","","","","has coordinates","185078","2020-10-21","18:00:00",""
"7155230","12.0397","0.0003","9.5581","0.0002","21.472","0.0005","90","","105.766","0.001","90","","2377.97","0.1","90","0.5","90","0.5","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C27 H15 B Cl4 F2 N2 -","- C27 H15 B Cl4 F2 N2 -","- C108 H60 B4 Cl16 F8 N8 -","4","1","","Zhao, Ning; Xuan, Sunting; Byrd, Brandon; Fronczek, Frank R.; Smith, Kevin M.; Vicente, M Graça H","Synthesis and regioselective functionalization of perhalogenated BODIPYs.","Organic & biomolecular chemistry","2016","14","26","6184","6188","10.1039/c6ob00935b","","","0.71073","MoKα","","0.0656","0.0386","","","0.0774","0.0861","","","","","","1.006","","","","has coordinates","185078","2020-10-21","18:00:00",""
"7155231","10.0519","0.0009","10.7177","0.0009","11.8528","0.001","102.04","0.004","91.199","0.004","114.33","0.004","1129.73","0.17","90","0.5","90","0.5","","","","","","","","7","P -1","-P 1","2","","","","- C21 H9 B Cl4 F2 N2 S3 -","- C21 H9 B Cl4 F2 N2 S3 -","- C42 H18 B2 Cl8 F4 N4 S6 -","2","1","","Zhao, Ning; Xuan, Sunting; Byrd, Brandon; Fronczek, Frank R.; Smith, Kevin M.; Vicente, M Graça H","Synthesis and regioselective functionalization of perhalogenated BODIPYs.","Organic & biomolecular chemistry","2016","14","26","6184","6188","10.1039/c6ob00935b","","","0.71073","MoKα","","0.0497","0.0421","","","0.1253","0.1319","","","","","","1.071","","","","has coordinates,has disorder","185078","2020-10-21","18:00:00",""
"7155232","26.1253","0.001","12.6428","0.0005","18.623","0.0007","90","","91.84","0.002","90","","6147.9","0.4","90","0.5","90","0.5","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C39 H25 B Cl2 F2 N2 -","- C39 H25 B Cl2 F2 N2 -","- C312 H200 B8 Cl16 F16 N16 -","8","2","","Zhao, Ning; Xuan, Sunting; Byrd, Brandon; Fronczek, Frank R.; Smith, Kevin M.; Vicente, M Graça H","Synthesis and regioselective functionalization of perhalogenated BODIPYs.","Organic & biomolecular chemistry","2016","14","26","6184","6188","10.1039/c6ob00935b","","","1.54184","CuKα","","0.0597","0.0435","","","0.1065","0.118","","","","","","1.013","","","","has coordinates,has disorder","185078","2020-10-21","18:00:00",""
"7155233","9.911","0.0002","24.3651","0.0005","12.2192","0.0003","90","","110.907","0.001","90","","2756.45","0.11","90","0.5","90","0.5","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C29 H15 B Cl2 F2 N2 S5 -","- C29.005 H15 B Cl2 F2 N2 S5.005 -","- C116.02 H60 B4 Cl8 F8 N8 S20.02 -","4","1","","Zhao, Ning; Xuan, Sunting; Byrd, Brandon; Fronczek, Frank R.; Smith, Kevin M.; Vicente, M Graça H","Synthesis and regioselective functionalization of perhalogenated BODIPYs.","Organic & biomolecular chemistry","2016","14","26","6184","6188","10.1039/c6ob00935b","","","0.71073","MoKα","","0.1278","0.1135","","","0.2844","0.2958","","","","","","1.058","","","","has coordinates,has disorder","185078","2020-10-21","18:00:00",""
"7155234","14.6046","0.0011","18.958","0.0015","23.9068","0.0019","90","","90","","90","","6619.2","0.9","298","2","298","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C37 H42 N3 O3 P -","- C37 H42 N3 O3 P -","- C296 H336 N24 O24 P8 -","8","2","","Yang, Bing; Ji, Xiaozhou; Xue, Yunsheng; Zhang, Haowei; Shen, Minxing; Jiang, Bo; Li, Guigen","Asymmetric aza-Morita-Baylis-Hillman reactions of chiral N-phosphonyl imines with acrylates via GAP chemistry/technology.","Organic & biomolecular chemistry","2016","14","25","6024","6035","10.1039/c6ob00847j","","","0.71073","MoKα","","0.2009","0.0649","","","0.0907","0.1088","","","","","","0.895","","","","has coordinates,has disorder","185079","2020-10-21","18:00:00",""
"7155235","13.9411","0.0012","17.726","0.001","14.8278","0.001","90","","109.535","0.009","90","","3453.3","0.5","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C33 H49 N3 O3 P -","- C33 H49 N3 O3 P -","- C132 H196 N12 O12 P4 -","4","2","","Yang, Bing; Ji, Xiaozhou; Xue, Yunsheng; Zhang, Haowei; Shen, Minxing; Jiang, Bo; Li, Guigen","Asymmetric aza-Morita-Baylis-Hillman reactions of chiral N-phosphonyl imines with acrylates via GAP chemistry/technology.","Organic & biomolecular chemistry","2016","14","25","6024","6035","10.1039/c6ob00847j","","","1.54178","CuKα","","0.1071","0.0858","","","0.2281","0.2522","","","","","","1.038","","","","has coordinates,has disorder","185079","2020-10-21","18:00:00",""
"7155236","13.218","0.002","16.657","0.003","16.344","0.003","90","","92.527","0.003","90","","3595","1.1","296","2","296.15","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C43 H32 Br N5 O3 -","- C43 H32 Br N5 O3 -","- C172 H128 Br4 N20 O12 -","4","2","","Xie, Jin; Xing, Xiao-Yu; Sha, Feng; Wu, Zhi-Yan; Wu, Xin-Yan","Enantioselective synthesis of spiro[indoline-3,4'-pyrano[2,3-c]pyrazole] derivatives via an organocatalytic asymmetric Michael/cyclization cascade reaction.","Organic & biomolecular chemistry","2016","14","35","8346","8355","10.1039/c6ob01256f","","","0.71073","MoKα","","0.1338","0.0474","","","0.0811","0.1057","","","","","","0.866","","","","has coordinates","186475","2020-10-21","18:00:00",""
"7155237","6.7242","0.0003","15.1813","0.0007","19.2667","0.001","90","","90","","90","","1966.79","0.16","90","2","90","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C20 H35 N O3 -","- C20 H35 N O3 -","- C80 H140 N4 O12 -","4","1","","Philkhana, Satish Chandra; Mehrotra, Suneet; Murray, Thomas F.; Reddy, D. Srinivasa","Synthesis and biological evaluation of palmyrolide A macrocycles as sodium channel blockers towards neuroprotection.","Organic & biomolecular chemistry","2016","14","36","8457","8473","10.1039/c6ob01372d","","","0.71073","MoKα","","0.0379","0.0337","","","0.0761","0.0784","","","","","","1.049","","","","has coordinates","187187","2020-10-21","18:00:00",""
"7155238","11.998","0.003","8.74","0.002","18.751","0.005","90","","104.393","0.006","90","","1904.6","0.8","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","(14R,16R,E)-16-(tert-butyl)-14-methyl-1-oxa-8-azacyclohexadec-10-ene-2,9-dione","","- C19 H33 N O3 -","- C19 H33 N O3 -","- C76 H132 N4 O12 -","4","2","","Philkhana, Satish Chandra; Mehrotra, Suneet; Murray, Thomas F.; Reddy, D. Srinivasa","Synthesis and biological evaluation of palmyrolide A macrocycles as sodium channel blockers towards neuroprotection.","Organic & biomolecular chemistry","2016","14","36","8457","8473","10.1039/c6ob01372d","","","0.71073","MoKα","","0.1626","0.0701","","","0.1336","0.1757","","","","","","0.987","","","","has coordinates","187187","2020-10-21","18:00:00",""
"7155239","5.615","0.003","10.654","0.005","35.955","0.017","90","","90","","90","","2150.9","1.8","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(3R,14R,16S,E)-16-(tert-butyl)-3,8,14-trimethyl-1-oxa-8-azacyclohexadec-10-ene-2,9-dione","","- C21 H37 N O3 -","- C21 H37 N O3 -","- C84 H148 N4 O12 -","4","1","","Philkhana, Satish Chandra; Mehrotra, Suneet; Murray, Thomas F.; Reddy, D. Srinivasa","Synthesis and biological evaluation of palmyrolide A macrocycles as sodium channel blockers towards neuroprotection.","Organic & biomolecular chemistry","2016","14","36","8457","8473","10.1039/c6ob01372d","","","0.71073","MoKα","","0.0617","0.0445","","","0.0607","0.0628","","","","","","1.618","","","","has coordinates","187187","2020-10-21","18:00:00",""
"7155240","10.866","0.005","5.196","0.002","18.617","0.01","90","","106.703","0.011","90","","1006.8","0.8","110","2","110","2","","","","","","","","4","P 1 21 1","P 2yb","4","","(1S,6S,7S,8R)-8-Butyl-7-((3,5-dinitrobenzoyl)oxymethyl)bicyclo[4.3.0]non-3-ene","","- C21 H26 N2 O6 -","- C21 H26 N2 O6 -","- C42 H52 N4 O12 -","2","1","","Gallantree-Smith, Harrison C; Antonsen, Simen G.; Görbitz, Carl H; Hansen, Trond V.; Nolsøe, Jens M J; Stenstrøm, Yngve H","Total synthesis based on the originally claimed structure of mucosin.","Organic & biomolecular chemistry","2016","14","36","8433","8437","10.1039/c6ob01511e","","","0.71073","MoKα","","0.1009","0.0854","","","0.215","0.2246","","","","","","1.033","","","","has coordinates,has disorder","187190","2020-10-21","18:00:00",""
"7155241","11.2287","0.0003","21.5577","0.0006","7.6682","0.0002","90","","90","","90","","1856.2","0.09","115","2","115","2","","","","","","","","2","P c a 21","P 2c -2ac","29","naphtho[1,2-i]pentahelicene","napthto[1,2-s]picene","","- C30 H18 -","- C30 H18 -","- C120 H72 -","4","1","","Ruch, Aaron A.; Handa, Sachin; Kong, Fanji; Nesterov, Vladimir N.; Pahls, Dale R.; Cundari, Thomas R.; Slaughter, LeGrande M","Competing amination and C-H arylation pathways in Pd/xantphos-catalyzed transformations of binaphthyl triflates: switchable routes to chiral amines and helicene derivatives.","Organic & biomolecular chemistry","2016","14","34","8123","8140","10.1039/c6ob01102k","","","0.71073","MoKα","","0.0385","0.0344","","","0.0842","0.0867","","","","","","1.052","","","","has coordinates","186482","2020-10-21","18:00:00",""
"7155242","9.601","0.0012","14.5905","0.0018","20.173","0.003","82.894","0.002","81.824","0.002","77.999","0.002","2723.1","0.6","200","2","200","2","","","","","","","","8","P -1","-P 1","2","(2-aminobiphenyl)(xantphos)palladium(II) mesylate","","","- C55 H51 Cl6 N O4 P2 Pd S -","- C55 H51 Cl6 N O4 P2 Pd S -","- C110 H102 Cl12 N2 O8 P4 Pd2 S2 -","2","1","","Ruch, Aaron A.; Handa, Sachin; Kong, Fanji; Nesterov, Vladimir N.; Pahls, Dale R.; Cundari, Thomas R.; Slaughter, LeGrande M","Competing amination and C-H arylation pathways in Pd/xantphos-catalyzed transformations of binaphthyl triflates: switchable routes to chiral amines and helicene derivatives.","Organic & biomolecular chemistry","2016","14","34","8123","8140","10.1039/c6ob01102k","","x-ray","0.71073","MoKα","","0.1022","0.0808","","","0.2234","0.2373","","","","","","1.06","","","","has coordinates,has disorder","186482","2020-10-21","18:00:00",""
"7155243","9.8138","0.0001","22.8364","0.0003","9.0937","0.0001","90","","99.9067","0.0007","90","","2007.62","0.04","115","2","115","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","1,3-bis(trifluoromethyl)naphtho[1,2-g]chrysene","","- C28 H14 F6 -","- C28 H14 F6 -","- C112 H56 F24 -","4","1","","Ruch, Aaron A.; Handa, Sachin; Kong, Fanji; Nesterov, Vladimir N.; Pahls, Dale R.; Cundari, Thomas R.; Slaughter, LeGrande M","Competing amination and C-H arylation pathways in Pd/xantphos-catalyzed transformations of binaphthyl triflates: switchable routes to chiral amines and helicene derivatives.","Organic & biomolecular chemistry","2016","14","34","8123","8140","10.1039/c6ob01102k","","x-ray","0.71073","MoKα","","0.0527","0.0346","","","0.0752","0.0826","","","","","","1.011","","","","has coordinates","186482","2020-10-21","18:00:00",""
"7155244","18.6683","0.0005","10.1255","0.0002","18.9205","0.0013","90","","93.979","0.007","90","","3567.8","0.3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H19 Cl N2 O -","- C22 H19 Cl N2 O -","- C176 H152 Cl8 N16 O8 -","8","2","","Anderson, James C.; Campbell, Ian B.; Campos, Sebastien; Reid, Iain H.; Rundell, Christopher D.; Shannon, Jonathan; Tizzard, Graham J.","Reductive conjugate addition nitro-Mannich route for the stereoselective synthesis of 1,2,3,4-tetrahydroquinoxalines.","Organic & biomolecular chemistry","2016","14","35","8270","8277","10.1039/c6ob01530a","","","0.71075","MoKα","","0.0522","0.0386","","","0.0866","0.0924","","","","","","1.035","","","","has coordinates","186477","2020-10-21","18:00:00",""
"7155245","4.6505","0.0005","13.4476","0.0013","16.1385","0.0016","90","","90","","90","","1009.27","0.18","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C11 H8 O Se2 -","- C11 H8 O Se2 -","- C44 H32 O4 Se8 -","4","1","","Mondal, Santanu; Mugesh, Govindasamy","Biomimetic deiodination of thyroid hormones and iodothyronamines - a structure-activity relationship study.","Organic & biomolecular chemistry","2016","14","40","9490","9500","10.1039/c6ob01375a","","","0.71073","MoKα","","0.1161","0.0783","","","0.1945","0.2135","","","","","","1.208","","","","has coordinates","188306","2020-10-21","18:00:00",""
"7155246","12.201","0.004","6.3287","0.0016","19.477","0.005","90","","96.736","0.01","90","","1493.6","0.7","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C15 H17 N O2 Se2 -","- C15 H17 N O2 Se2 -","- C60 H68 N4 O8 Se8 -","4","1","","Mondal, Santanu; Mugesh, Govindasamy","Biomimetic deiodination of thyroid hormones and iodothyronamines - a structure-activity relationship study.","Organic & biomolecular chemistry","2016","14","40","9490","9500","10.1039/c6ob01375a","","","0.71073","MoKα","","0.1199","0.0512","","","0.0816","0.1005","","","","","","1.07","","","","has coordinates","188306","2020-10-21","18:00:00",""
"7155247","9.8351","0.0006","19.0381","0.0012","20.4995","0.0013","90","","90","","90","","3838.4","0.4","273","2","273","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","methyl 1-((2R,3R)-4-methylene-5-oxo-3-phenyltetrahydrofuran-2-yl)-9H-pyrido[3,4-b]indole-3-carboxylate","","- C24 H18 N2 O4 -","- C24 H18 N2 O4 -","- C192 H144 N16 O32 -","8","1","","Singh, Dharmender; Devi, Nisha; Kumar, Vipin; Malakar, Chandi C.; Mehra, Saloni; Rattan, Sunita; Rawal, Ravindra K.; Singh, Virender","Natural product inspired design and synthesis of β-carboline and γ-lactone based molecular hybrids.","Organic & biomolecular chemistry","2016","14","34","8154","8166","10.1039/c6ob01216g","","","0.71073","MoKα","","0.0844","0.0652","","","0.1571","0.1646","","","","","","1.095","","","","has coordinates","186484","2020-10-21","18:00:00",""
"7155248","9.2919","0.0004","11.041","0.0005","19.247","0.001","90","","100.12","0.0016","90","","1943.86","0.16","304","","304","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C30 H50 Cl3 N5 O8 -","- C30 H50 Cl3 N5 O8 -","- C60 H100 Cl6 N10 O16 -","2","1","","Lee, Jaeyeon; Jang, Geunhyeok; Kang, Philjae; Choi, Moon-Gun; Choi, Soo Hyuk","Helical α/β-depsipeptides with alternating residue types: conformational change from the 11-helix to the 14/15-helix.","Organic & biomolecular chemistry","2016","14","36","8438","8442","10.1039/c6ob01602b","","","0.71073","MoKα","","0.1096","0.0638","","","0.169","0.1975","","","","","","1.019","","","","has coordinates,has disorder","187191","2020-10-21","18:00:00",""
"7155249","10.4185","0.0004","15.6536","0.0006","18.156","0.0008","90","","90","","90","","2961","0.2","150","","150","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C27 H44 N4 O9 -","- C27 H44 N4 O9 -","- C108 H176 N16 O36 -","4","1","","Lee, Jaeyeon; Jang, Geunhyeok; Kang, Philjae; Choi, Moon-Gun; Choi, Soo Hyuk","Helical α/β-depsipeptides with alternating residue types: conformational change from the 11-helix to the 14/15-helix.","Organic & biomolecular chemistry","2016","14","36","8438","8442","10.1039/c6ob01602b","","","1.54178","CuKα","","0.041","0.0351","","","0.0828","0.0857","","","","","","1.057","","","","has coordinates","187191","2020-10-21","18:00:00",""
"7155250","10.7226","0.0016","10.6558","0.0017","21.682","0.003","90","","91.429","0.005","90","","2476.6","0.6","250","2","250.1","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C38 H62 N6 O11 -","- C38 H62 N6 O11 -","- C76 H124 N12 O22 -","2","1","","Lee, Jaeyeon; Jang, Geunhyeok; Kang, Philjae; Choi, Moon-Gun; Choi, Soo Hyuk","Helical α/β-depsipeptides with alternating residue types: conformational change from the 11-helix to the 14/15-helix.","Organic & biomolecular chemistry","2016","14","36","8438","8442","10.1039/c6ob01602b","","","0.71073","MoKα","","0.1625","0.0696","","","0.1443","0.1673","","","","","","0.792","","","","has coordinates,has disorder","187191","2020-10-21","18:00:00",""
"7155251","11.8249","0.0004","13.3798","0.0004","13.3981","0.0005","79.783","0.002","77.825","0.002","78.013","0.002","2007.04","0.12","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C19 H24 N4 O3 S -","- C19 H24 N4 O3 S -","- C76 H96 N16 O12 S4 -","4","2","","Huang, Qianwen; Zheng, Hanliang; Liu, Shuiyou; Kong, Lichun; Luo, Fang; Zhu, Gangguo","Direct access to 2-amino-5-azidomethylfurans through palladium-catalyzed azidative cycloisomerization of homoallenyl amides.","Organic & biomolecular chemistry","2016","14","36","8557","8563","10.1039/c6ob01491g","","","0.71073","MoKα","","0.068","0.0475","","","0.1226","0.1427","","","","","","1.02","","","","has coordinates","187188","2020-10-21","18:00:00",""
"7155252","26.518","0.014","6.018","0.003","18.911","0.008","90","","134.5","0.02","90","","2153","2","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C9 H13 N3 O3 -","- C9 H13 N3 O3 -","- C72 H104 N24 O24 -","8","1","","Shao, Ying; Tong, Jingjing; Zhao, Yanwei; Zheng, Hao; Ma, Liang; Ma, Meihua; Wan, Xiaobing","[3 + 2] cycloaddition and subsequent oxidative dehydrogenation between alkenes and diazo compounds: a simple and direct approach to pyrazoles using TBAI/TBHP.","Organic & biomolecular chemistry","2016","14","36","8486","8492","10.1039/c6ob01522k","","","0.71073","MoKα","","0.1052","0.0656","","","0.1744","0.2175","","","","","","0.982","","","","has coordinates","187189","2020-10-21","18:00:00",""
"7155253","5.168","0.0005","10.0269","0.0012","32.073","0.004","90","","90","","90","","1662","0.3","113","2","113","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C15 H20 Br N O4 S -","- C15 H20 Br N O4 S -","- C60 H80 Br4 N4 O16 S4 -","4","1","","Feng, Bo-Xu; Wang, Bin; Li, Xin","Asymmetric additions of thioglycolates and N-Boc aldimines catalyzed by a bifunctional tertiary-amine squaramide.","Organic & biomolecular chemistry","2016","14","39","9206","9209","10.1039/c6ob01645f","","","0.71073","MoKα","","0.0198","0.0186","","","0.0443","0.0444","","","","","","1.024","","","","has coordinates","187181","2020-10-21","18:00:00",""
"7155254","10.4343","0.0004","14.6016","0.0005","13.8826","0.0004","90","","92.748","0.002","90","","2112.69","0.12","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C24 H16 Br N O5 S -","- C24 H16 Br N O5 S -","- C96 H64 Br4 N4 O20 S4 -","4","1","","Janni, Manojkumar; Arora, Sahil; Peruncheralathan, S.","Double heteroannulation of S,N-acetals: a facile access to quinolone derivatives.","Organic & biomolecular chemistry","2016","14","37","8781","8788","10.1039/c6ob01568a","","","0.71073","MoKα","","0.1298","0.0527","","","0.1234","0.1559","","","","","","1.024","","","","has coordinates","188300","2020-10-21","18:00:00",""
"7155255","5.2728","0.0002","25.33","0.0007","11.4784","0.0004","90","","99.154","0.002","90","","1513.53","0.09","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C21 H13 N O2 -","- C21 H13 N O2 -","- C84 H52 N4 O8 -","4","1","","Janni, Manojkumar; Arora, Sahil; Peruncheralathan, S.","Double heteroannulation of S,N-acetals: a facile access to quinolone derivatives.","Organic & biomolecular chemistry","2016","14","37","8781","8788","10.1039/c6ob01568a","","","0.71073","MoKα","","0.0683","0.0434","","","0.124","0.1494","","","","","","1.083","","","","has coordinates","188300","2020-10-21","18:00:00",""
"7155256","7.4138","0.0004","22.8374","0.001","9.5317","0.0005","90","","97.793","0.004","90","","1598.93","0.14","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C20 H17 N O5 -","- C20 H17 N O5 -","- C80 H68 N4 O20 -","4","1","","Murphy, R. B.; Norman, R. E.; White, J. M.; Perkins, M. V.; Johnston, M. R.","Tetra-porphyrin molecular tweezers: two binding sites linked via a polycyclic scaffold and rotating phenyl diimide core.","Organic & biomolecular chemistry","2016","14","37","8707","8720","10.1039/c6ob01588c","","","0.71073","MoKα","","0.0588","0.0439","","","0.0971","0.1067","","","","","","1.017","","","","has coordinates","188302","2020-10-21","18:00:00",""
"7155257","13.5746","0.0016","6.6256","0.0004","13.5089","0.0016","90","","123.176","0.017","90","","1016.9","0.3","150","","150","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C12 H9 N O4 -","- C12 H9 N O4 -","- C48 H36 N4 O16 -","4","0.5","","Murphy, R. B.; Norman, R. E.; White, J. M.; Perkins, M. V.; Johnston, M. R.","Tetra-porphyrin molecular tweezers: two binding sites linked via a polycyclic scaffold and rotating phenyl diimide core.","Organic & biomolecular chemistry","2016","14","37","8707","8720","10.1039/c6ob01588c","","","0.71073","MoKα","","0.0593","0.0445","","","0.1119","0.1272","","","","","","1.025","","","","has coordinates","188302","2020-10-21","18:00:00",""
"7155258","9.0952","0.0002","37.2652","0.0006","24.0116","0.0005","90","","107.621","0.002","90","","7756.5","0.3","150","","150","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C25.33333 H25 N1.66667 O13 -","- C25.3333 H25 N1.66667 O13 -","- C304 H300 N20 O156 -","12","3","","Murphy, R. B.; Norman, R. E.; White, J. M.; Perkins, M. V.; Johnston, M. R.","Tetra-porphyrin molecular tweezers: two binding sites linked via a polycyclic scaffold and rotating phenyl diimide core.","Organic & biomolecular chemistry","2016","14","37","8707","8720","10.1039/c6ob01588c","","","0.71073","MoKα","","0.0753","0.0569","","","0.1314","0.1424","","","","","","1.047","","","","has coordinates","193656","2020-10-21","18:00:00",""
"7155259","7.6974","0.0005","9.8515","0.0007","10.6292","0.0009","91.428","0.007","93.661","0.007","96.076","0.006","799.45","0.1","100","0.1","100","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C34 H32 N2 O10 S2 -","- C34 H32 N2 O10 S2 -","- C34 H32 N2 O10 S2 -","1","0.5","","Murphy, R. B.; Norman, R. E.; White, J. M.; Perkins, M. V.; Johnston, M. R.","Tetra-porphyrin molecular tweezers: two binding sites linked via a polycyclic scaffold and rotating phenyl diimide core.","Organic & biomolecular chemistry","2016","14","37","8707","8720","10.1039/c6ob01588c","","","1.5418","CuKα","","0.07","0.0552","","","0.1413","0.1515","","","","","","0.963","","","","has coordinates","188302","2020-10-21","18:00:00",""
"7155260","4.672","0.004","5.359","0.004","67.02","0.05","90","","90","","90","","1678","2","150","2","150","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C17 H28 O3 -","- C17 H28 O3 -","- C68 H112 O12 -","4","1","","Kuilya, Tapan Kumar; Goswami, Rajib Kumar","Total synthesis of cananginone C and structural revision of debilisone A.","Organic & biomolecular chemistry","2016","14","37","8789","8799","10.1039/c6ob01671e","","","0.71073","MoKα","","0.1322","0.0478","","","0.0595","0.076","","","","","","0.925","","","","has coordinates","188303","2020-10-21","18:00:00",""
"7155261","12.1129","0.00015","10.43581","0.00014","11.94338","0.00015","90","","90.0578","0.0013","90","","1509.74","0.03","110.05","0.1","110.05","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(±)-diethyl ((1R,5S,6S)-2-oxo-6-phenyl-3-oxabicyclo[3.1.0]hexan-1-yl)phosphonate","","- C15 H19 O5 P -","- C15 H19 O5 P -","- C60 H76 O20 P4 -","4","1","","Lloyd, Matthew G.; Taylor, Richard J. K.; Unsworth, William P.","Phosphorylated cyclopropanes in the synthesis of α-alkylidene-γ-butyrolactones: total synthesis of (±)-savinin, (±)-gadain and (±)-peperomin E.","Organic & biomolecular chemistry","2016","14","38","8971","8988","10.1039/c6ob01527a","","x-ray","0.71073","MoKα","","0.0368","0.0328","","","0.0859","0.0886","","","","","","1.08","","","","has coordinates,has disorder","188274","2020-10-21","18:00:00",""
"7155262","7.1086","0.0014","6.9376","0.0014","12.442","0.003","90","","94.573","0.003","90","","611.6","0.2","294","2","294","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C13 H13 Cl O3 -","- C13 H13 Cl O3 -","- C26 H26 Cl2 O6 -","2","1","","Subba Reddy, B. V.; Biradar, Dhanraj O.; Vikram Reddy, Y.; Yadav, J. S.; Singarapu, Kiran Kumar; Sridhar, B.","Substitution dependent stereoselective construction of bicyclic lactones and its application to the total synthesis of pyranopyran, tetraketide and polyrhacitide A.","Organic & biomolecular chemistry","2016","14","37","8832","8837","10.1039/c6ob01686c","","","0.71073","MoKα","","0.0535","0.0418","","","0.0965","0.104","","","","","","1.013","","","","has coordinates","188298","2020-10-21","18:00:00",""
"7155263","8.2425","0.0011","8.4394","0.001","13.236","0.002","90.149","0.011","100.435","0.012","104.134","0.011","877","0.2","180","","180","","","","","","","","","5","P -1","-P 1","2","","","","- C8 H10 N2 O S -","- C8 H10 N2 O S -","- C32 H40 N8 O4 S4 -","4","2","","Laborde, Julie; Deraeve, Céline; Duhayon, Carine; Pratviel, Geneviève; Bernardes-Génisson, Vania","Ethionamide biomimetic activation and an unprecedented mechanism for its conversion into active and non-active metabolites.","Organic & biomolecular chemistry","2016","14","37","8848","8858","10.1039/c6ob01561a","","","1.5418","CuKα","","0.0417","0.0354","","0.0428","0.0425","0.0425","","","","","","1.0588","","","","has coordinates","188299","2020-10-21","18:00:00",""
"7155264","13.739","0.005","5.908","0.005","17.319","0.005","90","0.005","91.208","0.005","90","0.005","1405.5","1.4","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C19 H14 N2 -","- C19 H14 N2 -","- C76 H56 N8 -","4","1","","Kumar, Sonu; Saunthwal, Rakesh K.; Aggarwal, Trapti; Kotla, Siva K Reddy; Verma, Akhilesh K.","Palladium meets copper: one-pot tandem synthesis of pyrido fused heterocycles via Sonogashira conjoined electrophilic cyclization.","Organic & biomolecular chemistry","2016","14","38","9063","9071","10.1039/c6ob01539e","","","0.71073","MoKα","","0.0823","0.0514","","","0.1235","0.1365","","","","","","1.038","","","","has coordinates","188275","2020-10-21","18:00:00",""
"7155265","14.1684","0.0003","6.6657","0.0002","47.1845","0.0014","90","","91.503","0.002","90","","4454.7","0.2","292.87","0.11","292.87","0.11","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C19 H21 I N2 O7 S -","- C19 H21 I N2 O7 S -","- C152 H168 I8 N16 O56 S8 -","8","1","","Beltran, R.; Nocquet-Thibault, S; Blanchard, F.; Dodd, R. H.; Cariou, K.","PIFA-mediated ethoxyiodination of enamides with potassium iodide.","Organic & biomolecular chemistry","2016","14","36","8448","8451","10.1039/c6ob01673a","","x-ray","0.71073","MoKα","","0.0536","0.0377","","","0.0945","0.1027","","","","","","1.061","","","","has coordinates","188282","2020-10-21","18:00:00",""
"7155266","6.7507","0.0004","14.1829","0.0007","43.847","0.003","90","","90","","90","","4198.1","0.4","292.8","0.2","292.8","0.2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C18 H21 I N2 O6 S -","- C18 H21 I N2 O6 S -","- C144 H168 I8 N16 O48 S8 -","8","1","","Beltran, R.; Nocquet-Thibault, S; Blanchard, F.; Dodd, R. H.; Cariou, K.","PIFA-mediated ethoxyiodination of enamides with potassium iodide.","Organic & biomolecular chemistry","2016","14","36","8448","8451","10.1039/c6ob01673a","","x-ray","0.71073","MoKα","","0.1043","0.0597","","","0.165","0.1827","","","","","","1.097","","","","has coordinates,has disorder","188282","2020-10-21","18:00:00",""
"7155267","5.1495","0.0002","9.3429","0.0003","27.7278","0.0008","90","","90","","90","","1334.02","0.08","100","","100","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","(R)-(4-Chlorophenyl)(4-(pentafluorosulfanyl)phenyl)methanol","","- C13 H10 Cl F5 O S -","- C13 H10 Cl F5 O S -","- C52 H40 Cl4 F20 O4 S4 -","4","1","","Desroches, Justine; Tremblay, Ariane; Paquin, Jean-François","Racemic and enantioselective metal-catalyzed synthesis of SF5-containing diarylmethanols.","Organic & biomolecular chemistry","2016","14","37","8764","8780","10.1039/c6ob01663d","","x-ray","1.54178","CuKα","","0.0196","0.0196","","","0.0522","0.0522","","","","","","1.097","","","","has coordinates","188297","2020-10-21","18:00:00",""
"7155268","7.7594","0.0012","19.459","0.003","11.8044","0.0019","90","","106.142","0.002","90","","1712.1","0.5","125","2","125","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C19.5 H18 N2 O5.5 -","- C19.5 H17.5 N2 O5.5 -","- C78 H70 N8 O22 -","4","1","","Jones, Alan M.; Patterson, Stephen; Lorion, Magali M.; Slawin, Alexandra M. Z.; Westwood, Nicholas J.","A core switching strategy to pyrrolo[2,3-b]quinolines and diazocino[1,2-a]indolinones.","Organic & biomolecular chemistry","2016","14","38","8998","9011","10.1039/c6ob01566b","","","0.71073","MoKα","","0.0552","0.0416","","","0.0971","0.1051","","","","","","1.024","","","","has coordinates","211412","2020-10-21","18:00:00",""
"7155269","10.843","0.003","19.28","0.005","11.337","0.004","90","","111.215","0.005","90","","2209.4","1.1","93","","93","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C24 H26 N4 O4 -","- C24 H26 N4 O4 -","- C96 H104 N16 O16 -","4","1","","Jones, Alan M.; Patterson, Stephen; Lorion, Magali M.; Slawin, Alexandra M. Z.; Westwood, Nicholas J.","A core switching strategy to pyrrolo[2,3-b]quinolines and diazocino[1,2-a]indolinones.","Organic & biomolecular chemistry","2016","14","38","8998","9011","10.1039/c6ob01566b","","","0.7107","MoKα","","0.0975","0.0815","","","0.2014","0.2167","","","","","","1.147","","","","has coordinates","187177","2020-10-21","18:00:00",""
"7155270","6.4408","0.0008","16.415","0.002","6.882","0.0007","90","","93.991","0.01","90","","725.84","0.15","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","9-Methyl-1-oxa-7,8-diazaspiro[4.4]nona-3,8-dien-6-one","","- C7 H8 N2 O2 -","- C7 H8 N2 O2 -","- C28 H32 N8 O8 -","4","1","","De Crescentini, L.; Perrulli, F. R.; Favi, G.; Santeusanio, S.; Giorgi, G.; Attanasi, O. A.; Mantellini, F.","Reactions of 1,2-diaza-1,3-butadienes with propargyl alcohol as an approach to novel bi-heterocyclic systems.","Organic & biomolecular chemistry","2016","14","37","8674","8678","10.1039/c6ob01595f","","","0.71073","MoKα","","0.0724","0.0473","","","0.0968","0.1132","","","","","","1.038","","","","has coordinates","188301","2020-10-21","18:00:00",""
"7155271","6.5491","0.0005","18.582","0.0013","12.9625","0.0009","90","","93.361","0.001","90","","1574.8","0.2","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","(Z)-(8-methoxy-4H-benzo[g][1,2,3]triazolo[5,1-c][1,4]oxazocin-11-yl)(phenyl)methanone","","- C19 H15 N3 O3 -","- C19 H15 N3 O3 -","- C76 H60 N12 O12 -","4","1","","Sastry, K. N. Visweswara; Routhu, Sunitha Rani; Datta, Soma Gupta; Nagesh, Narayana; Babu, Bathini Nagendra; Nanubolu, Jagadeesh Babu; Kumar, C. Ganesh; Maurya, Ram Awatar; Kamal, Ahmed","Synthesis, DNA binding affinity and anticancer activity of novel 4H-benzo[g][1,2,3]triazolo[5,1-c][1,4]oxazocines.","Organic & biomolecular chemistry","2016","14","39","9294","9305","10.1039/c6ob01077f","","","0.71073","MoKα","","0.0686","0.0625","","","0.1283","0.1315","","","","","","1.237","","","","has coordinates,has disorder","188277","2020-10-21","18:00:00",""
"7155272","9.4858","0.0012","16.647","0.002","20.977","0.002","90","","90","","90","","3312.5","0.7","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C43 H31 B N4 O2 -","- C43 H31 B N4 O2 -","- C172 H124 B4 N16 O8 -","4","1","","Brittain, William D. G.; Chapin, Brette M.; Zhai, Wenlei; Lynch, Vincent M.; Buckley, Benjamin R.; Anslyn, Eric V.; Fossey, John S.","The Bull-James assembly as a chiral auxiliary and shift reagent in kinetic resolution of alkyne amines by the CuAAC reaction.","Organic & biomolecular chemistry","2016","14","46","10778","10782","10.1039/c6ob01623e","","","1.54184","CuKα","","0.0326","0.0313","","","0.0819","0.0831","","","","","","1.034","","","","has coordinates","190251","2020-10-21","18:00:00",""
"7155273","17.8575","0.0015","17.3429","0.0016","11.9409","0.0011","90","","104.165","0.002","90","","3585.7","0.6","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C18 H16 Br N3 O2 S -","- C18 H16 Br N3 O2 S -","- C144 H128 Br8 N24 O16 S8 -","8","2","","Fan, Wei; Li, Yan-Rong; Jiang, Bo; Li, Guigen","Cascade bicyclization of triethylammonium thiolates with hydrazines: efficient access to pyrazolo[3,4-c]quinolines.","Organic & biomolecular chemistry","2016","14","38","9080","9087","10.1039/c6ob01728b","","","0.71073","MoKα","","0.0935","0.0393","","","0.0473","0.0505","","","","","","1.077","","","","has coordinates","188276","2020-10-21","18:00:00",""
"7155274","12.8359","0.0008","4.9611","0.0002","26.202","0.0019","90","","97.21","0.006","90","","1655.35","0.17","130","0.2","130","0.2","","","","","","","","3","P 1 21 1","P 2yb","4","","(2S,4R,5R)-5-Hydroxy-3-oxo-4-(pent-4-enyl)eicosan-2-yl","","- C33 H56 O5 -","- C33 H56 O5 -","- C66 H112 O10 -","2","1","","van der Peet, Phillip L.; Nagata, Masahiro; Shah, Sayali; White, Jonathan M.; Yamasaki, Sho; Williams, Spencer J.","Lipid structure influences the ability of glucose monocorynomycolate to signal through Mincle.","Organic & biomolecular chemistry","2016","14","39","9267","9277","10.1039/c6ob01781a","","","1.5418","CuKα","","0.0865","0.0658","","","0.1806","0.2006","","","","","","1.006","","","","has coordinates","188279","2020-10-21","18:00:00",""
"7155275","16.385","0.002","13.037","0.002","8.2869","0.0014","90","","103.74","0.006","90","","1719.5","0.4","140","2","140","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H15 N O2 S2 -","- C19 H15 N O2 S2 -","- C76 H60 N4 O8 S8 -","4","1","","Kumar, Shailesh; Kadu, Rahul; Kumar, Sangit","Regioselective transition metal- and halogen-free direct dithiolation at C(sp(3))-H of nitrotoluenes with diaryl disulfides.","Organic & biomolecular chemistry","2016","14","39","9210","9214","10.1039/c6ob01856d","","","0.71073","MoKα","","0.0623","0.0381","","","0.076","0.0844","","","","","","1.0511","","","","has coordinates","188280","2020-10-21","18:00:00",""
"7155276","7.6546","0.0008","29.982","0.003","8.7107","0.001","90","","108.845","0.004","90","","1891.9","0.4","187","2","187.23","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C19 H13 Br2 N O2 S2 -","- C19 H13 Br2 N O2 S2 -","- C76 H52 Br8 N4 O8 S8 -","4","1","","Kumar, Shailesh; Kadu, Rahul; Kumar, Sangit","Regioselective transition metal- and halogen-free direct dithiolation at C(sp(3))-H of nitrotoluenes with diaryl disulfides.","Organic & biomolecular chemistry","2016","14","39","9210","9214","10.1039/c6ob01856d","","","0.71073","MoKα","","0.0434","0.0318","","","0.0571","0.0603","","","","","","1.0694","","","","has coordinates","188280","2020-10-21","18:00:00",""
"7155277","13.122","0.006","12.993","0.006","7.922","0.004","90","","103.66","0.012","90","","1312.5","1.1","140","2","140.02","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H10 N2 O5 -","- C14 H10 N2 O5 -","- C56 H40 N8 O20 -","4","1","","Kumar, Shailesh; Kadu, Rahul; Kumar, Sangit","Regioselective transition metal- and halogen-free direct dithiolation at C(sp(3))-H of nitrotoluenes with diaryl disulfides.","Organic & biomolecular chemistry","2016","14","39","9210","9214","10.1039/c6ob01856d","","","0.71073","MoKα","","0.1293","0.059","","","0.1061","0.1284","","","","","","1.062","","","","has coordinates","188280","2020-10-21","18:00:00",""
"7155278","9.6173","0.0005","9.7573","0.0005","12.8363","0.0007","90","","100.175","0.002","90","","1185.6","0.11","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","3-benzyl-3-hydroxyindolin-2-one","","- C15 H13 N O2 -","- C15 H13 N O2 -","- C60 H52 N4 O8 -","4","1","","Chaudhari, Moreshwar Bhagwan; Bisht, Girish Singh; Kumari, Pooja; Gnanaprakasam, Boopathy","Ruthenium-catalyzed direct α-alkylation of amides using alcohols.","Organic & biomolecular chemistry","2016","14","39","9215","9220","10.1039/c6ob01786j","","","1.54178","CuKα","","0.0384","0.0336","","","0.0962","0.103","","","","","","0.659","","","","has coordinates","188278","2020-10-21","18:00:00",""
"7155279","10.952","0.003","11.34","0.004","10.721","0.003","90","","99.771","0.007","90","","1312.2","0.7","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","3-hydroxy-3-(3-methylbenzyl)indolin-2-one","","- C16 H15 N O2 -","- C16 H15 N O2 -","- C64 H60 N4 O8 -","4","1","","Chaudhari, Moreshwar Bhagwan; Bisht, Girish Singh; Kumari, Pooja; Gnanaprakasam, Boopathy","Ruthenium-catalyzed direct α-alkylation of amides using alcohols.","Organic & biomolecular chemistry","2016","14","39","9215","9220","10.1039/c6ob01786j","","","0.71073","MoKα","","0.0806","0.0469","","","0.1232","0.1432","","","","","","0.933","","","","has coordinates","188278","2020-10-21","18:00:00",""
"7155280","10.743","0.0009","16.6008","0.0014","6.9203","0.0007","90","","100.069","0.005","90","","1215.17","0.19","298","2","293.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C13 H9 N O5 -","- C13 H9 N O5 -","- C52 H36 N4 O20 -","4","1","","Hossian, Asik; Jana, Ranjan","Carboxyl radical-assisted 1,5-aryl migration through Smiles rearrangement.","Organic & biomolecular chemistry","2016","14","41","9768","9779","10.1039/c6ob01758d","","","0.71073","MoKα","","0.0772","0.0468","","","0.1185","0.1364","","","","","","1.052","","","","has coordinates","188285","2020-10-21","18:00:00",""
"7155281","6.4411","0.0005","16.0503","0.0012","30.612","0.003","90","","90","","90","","3164.7","0.5","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C20 H16 N2 O3 -","- C20 H16 N2 O3 -","- C160 H128 N16 O24 -","8","1","","Asby, D. J.; Radigois, M. G.; Wilson, D. C.; Cuda, F.; Chai, C. L. L.; Chen, A.; Bienemann, A. S.; Light, M. E.; Harrowven, D. C.; Tavassoli, A.","Triggering apoptosis in cancer cells with an analogue of cribrostatin 6 that elevates intracellular ROS.","Organic & biomolecular chemistry","2016","14","39","9322","9330","10.1039/c6ob01591c","","x-ray","0.71073","MoKα","","0.1353","0.081","","","0.162","0.1865","","","","","","1.075","","","","has coordinates","188281","2020-10-21","18:00:00",""
"7155282","13.0766","0.0003","8.0857","0.0002","14.076","0.0004","90","","90.35","0.002","90","","1488.28","0.07","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H14 Cl2 O4 -","- C15 H14 Cl2 O4 -","- C60 H56 Cl8 O16 -","4","1","","Zhang, Yan; Tian, Yan; Xiang, Pei; Huang, Ning; Wang, Jianyi; Xu, Jian-Hua; Zhang, Min","A metal-free one-pot synthesis of benzo[c]chromen-6-ones from 3,4-dichlorocoumarins and butadienes using tandem photo-thermal-photo reactions.","Organic & biomolecular chemistry","2016","14","41","9874","9882","10.1039/c6ob01701k","","","0.71073","MoKα","","0.0445","0.0353","","","0.0955","0.1005","","","","","","1.046","","","","has coordinates","188284","2020-10-21","18:00:00",""
"7155283","7.865","0.0011","8.607","0.0011","10.2615","0.0015","92.788","0.006","112.186","0.006","105.046","0.004","612.75","0.15","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C15 H11 Br O2 -","- C15 H11 Br O2 -","- C30 H22 Br2 O4 -","2","1","","Zhang, Yan; Tian, Yan; Xiang, Pei; Huang, Ning; Wang, Jianyi; Xu, Jian-Hua; Zhang, Min","A metal-free one-pot synthesis of benzo[c]chromen-6-ones from 3,4-dichlorocoumarins and butadienes using tandem photo-thermal-photo reactions.","Organic & biomolecular chemistry","2016","14","41","9874","9882","10.1039/c6ob01701k","","","0.71073","MoKα","","0.0564","0.04","","","0.0997","0.1076","","","","","","1.02","","","","has coordinates","188284","2020-10-21","18:00:00",""
"7155284","9.018","0.002","12.159","0.003","14.878","0.004","107.953","0.002","95.582","0.002","107.978","0.003","1442.4","0.6","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C14 H11 B F3 N2 O1.5 S -","- C14 H11 B F3 N2 O1.5 S -","- C56 H44 B4 F12 N8 O6 S4 -","4","2","","Hiscock, Jennifer R.; Wells, Neil J.; Ede, Jayne A.; Gale, Philip A.; Sambrook, Mark R.","Biasing hydrogen bond donating host systems towards chemical warfare agent recognition.","Organic & biomolecular chemistry","2016","14","40","9560","9567","10.1039/c6ob01210h","","x-ray","0.71075","MoKα","","0.067","0.043","","","0.1081","0.1199","","","","","","0.886","","","","has coordinates","192220","2020-10-21","18:00:00",""
"7155285","17.561","0.006","16.385","0.005","23.157","0.008","90","","103.246","0.005","90","","6486","4","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C30 H46 B F6 N3 O -","- C30 H46 B F6 N3 O -","- C240 H368 B8 F48 N24 O8 -","8","2","","Hiscock, Jennifer R.; Wells, Neil J.; Ede, Jayne A.; Gale, Philip A.; Sambrook, Mark R.","Biasing hydrogen bond donating host systems towards chemical warfare agent recognition.","Organic & biomolecular chemistry","2016","14","40","9560","9567","10.1039/c6ob01210h","","x-ray","0.71075","MoKα","","0.1031","0.0763","","","0.2254","0.2461","","","","","","1.082","","","","has coordinates","188305","2020-10-21","18:00:00",""
"7155286","12.0073","0.0004","5.9225","0.0002","13.6415","0.0004","90","","109.584","0.001","90","","913.97","0.05","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","K071","","- C19 H23 N O5 -","- C19 H23 N O5 -","- C38 H46 N2 O10 -","2","1","","Khan, Ismat Ullah; Kattela, Shivashankar; Hassan, Abbas; Correia, Carlos Roque Duarte","Enantioselective total synthesis of the highly selective sphingosine-1-receptor VPC01091 by the Heck desymmetrization of a non-activated cyclopentene-fused spiro-pyrrolidinone.","Organic & biomolecular chemistry","2016","14","40","9476","9480","10.1039/c6ob01892k","","","1.54178","CuKα","","0.0402","0.0402","","","0.098","0.0981","","","","","","1.089","","","","has coordinates,has disorder","188304","2020-10-21","18:00:00",""
"7155287","5.1845","0.0007","11.6355","0.0015","16.143","0.002","90","","95.867","0.003","90","","968.7","0.2","173","","173","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C10 H12 O4 -","- C10 H12 O4 -","- C40 H48 O16 -","4","1","","Miles-Barrett, Daniel M; Neal, Andrew R.; Hand, Calum; Montgomery, James R. D.; Panovic, Isabella; Ojo, O. Stephen; Lancefield, Christopher S.; Cordes, David B.; Slawin, Alexandra M. Z.; Lebl, Tomas; Westwood, Nicholas J.","The synthesis and analysis of lignin-bound Hibbert ketone structures in technical lignins.","Organic & biomolecular chemistry","2016","14","42","10023","10030","10.1039/c6ob01915c","","","1.54187","CuKα","","0.0396","0.0329","","","0.0928","0.0969","","","","","","1.075","","","","has coordinates","188307","2020-10-21","18:00:00",""
"7155288","7.9885","0.0019","10.68","0.003","12.967","0.003","90","","90.113","0.006","90","","1106.3","0.5","173","","173","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C11 H14 O5 -","- C11 H14 O5 -","- C44 H56 O20 -","4","1","","Miles-Barrett, Daniel M; Neal, Andrew R.; Hand, Calum; Montgomery, James R. D.; Panovic, Isabella; Ojo, O. Stephen; Lancefield, Christopher S.; Cordes, David B.; Slawin, Alexandra M. Z.; Lebl, Tomas; Westwood, Nicholas J.","The synthesis and analysis of lignin-bound Hibbert ketone structures in technical lignins.","Organic & biomolecular chemistry","2016","14","42","10023","10030","10.1039/c6ob01915c","","","1.54187","CuKα","","0.057","0.0551","","","0.1443","0.1468","","","","","","1.102","","","","has coordinates","188307","2020-10-21","18:00:00",""
"7155289","38.822","0.008","4.592","0.0009","10.705","0.002","90","","99.08","0.03","90","","1884.5","0.7","100","2","100","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C18 H24 Cl N3 O2 S -","- C18 H24 Cl N3 O2 S -","- C72 H96 Cl4 N12 O8 S4 -","4","1","","Romashov, Leonid V.; Ananikov, Valentine P.","Synthesis of HIV-1 capsid protein assembly inhibitor (CAP-1) and its analogues based on a biomass approach","Org. Biomol. Chem.","2016","","","","","10.1039/C6OB01731B","","","0.9699","synchrotron","","0.0557","0.0476","","","0.1167","0.1233","","","","","","1.068","","","","has coordinates","186874","2020-10-21","18:00:00",""
"7155290","7.4819","0.0003","12.1332","0.0005","25.226","0.0008","90","","90","","90","","2290","0.15","298","","298","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","Amide ester","","- C25 H26 N2 O6 S -","- C25 H26 N2 O6 S -","- C100 H104 N8 O24 S4 -","4","1","","Mondal, Pravat; Argade, Narshinha P.","Stereoselective synthesis of (-)-desethyleburnamonine, (-)-vindeburnol and (-)-3-epitacamonine: observation of a substrate dependent diastereoselectivity reversal of an aldol reaction.","Organic & biomolecular chemistry","2016","14","44","10394","10406","10.1039/c6ob01438k","","","0.7107","MoKα","","0.0538","0.0447","","","0.1018","0.1063","","","","","","1.074","","","","has coordinates","190264","2020-10-21","18:00:00",""
"7155291","9.0934","0.0004","10.9932","0.0004","25.0614","0.0014","90","","90","","90","","2505.3","0.2","298","","298","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","Amine Ester","","- C25 H28 N2 O5 S -","- C25 H28 N2 O5 S -","- C100 H112 N8 O20 S4 -","4","1","","Mondal, Pravat; Argade, Narshinha P.","Stereoselective synthesis of (-)-desethyleburnamonine, (-)-vindeburnol and (-)-3-epitacamonine: observation of a substrate dependent diastereoselectivity reversal of an aldol reaction.","Organic & biomolecular chemistry","2016","14","44","10394","10406","10.1039/c6ob01438k","","","0.7107","MoKα","","0.0609","0.051","","","0.128","0.1401","","","","","","1.056","","","","has coordinates","190264","2020-10-21","18:00:00",""
"7155292","14.2702","0.0011","14.2594","0.0007","22.3948","0.0015","90","","90","","90","","4557","0.5","298","2","298","2","","","","","","","","5","C 2 2 21","C 2c 2","20","Aminoalcohol","Aminoalcohol","","- C48 H52 N4 O7 S2 -","- C48 H52 N4 O7 S2 -","- C192 H208 N16 O28 S8 -","4","0.5","","Mondal, Pravat; Argade, Narshinha P.","Stereoselective synthesis of (-)-desethyleburnamonine, (-)-vindeburnol and (-)-3-epitacamonine: observation of a substrate dependent diastereoselectivity reversal of an aldol reaction.","Organic & biomolecular chemistry","2016","14","44","10394","10406","10.1039/c6ob01438k","","","0.71073","MoKα","","0.0908","0.0626","","","0.1576","0.1861","","","","","","1.038","","","","has coordinates","190264","2020-10-21","18:00:00",""
"7155293","9.7279","0.0017","11.657","0.002","22.965","0.004","76.436","0.003","80.414","0.003","70.405","0.003","2373.9","0.7","294","2","294","2","","","","","","","","5","P -1","-P 1","2","","2-(4-Fluoro-2-(4-(trifluoromethyl)benzamido)phenyl)-6-phenyl-5,6-dihydro-4H-1,3-oxazin-5-yl acetate","","- C26 H20 F4 N2 O4 -","- C26 H20 F4 N2 O4 -","- C104 H80 F16 N8 O16 -","4","2","","Ranjith, Jala; Rajesh, Nomula; Sridhar, Balasubramanian; Radha Krishna, Palakodety","Intramolecular oxyacetoxylation of N-allylamides: an expeditious synthesis of oxazolines and oxazines by using a PhI(OAc)2/hydrogen fluoride-pyridine system.","Organic & biomolecular chemistry","2016","14","42","10074","10079","10.1039/c6ob01752e","","","0.71073","MoKα","","0.1051","0.0717","","","0.2042","0.2363","","","","","","1.041","","","","has coordinates,has disorder","188308","2020-10-21","18:00:00",""
"7155294","7.3604","0.0004","9.3854","0.0006","12.8395","0.001","95.461","0.004","101.655","0.004","105.055","0.003","828.57","0.1","99","2","99","2","","","","","","","","4","P -1","-P 1","2","","(2-(2-Benzamidophenyl)-4,5-dihydrooxazol-5-yl)methyl acetate","","- C19 H18 N2 O4 -","- C19 H18 N2 O4 -","- C38 H36 N4 O8 -","2","1","","Ranjith, Jala; Rajesh, Nomula; Sridhar, Balasubramanian; Radha Krishna, Palakodety","Intramolecular oxyacetoxylation of N-allylamides: an expeditious synthesis of oxazolines and oxazines by using a PhI(OAc)2/hydrogen fluoride-pyridine system.","Organic & biomolecular chemistry","2016","14","42","10074","10079","10.1039/c6ob01752e","","","0.71073","MoKα","","0.1379","0.0723","","","0.1438","0.1703","","","","","","1.029","","","","has coordinates","188308","2020-10-21","18:00:00",""
"7155295","12.3506","0.0005","15.093","0.0006","17.7124","0.0007","90","","100.508","0.002","90","","3246.4","0.2","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C39 H35 F N2 O4 -","- C39 H35 F N2 O4 -","- C156 H140 F4 N8 O16 -","4","1","","Jia, Shi-Kun; Song, Long-Long; Lei, Yu-Bing; Gopi Krishna Reddy, A.; Xing, Dong; Hu, Wen-Hao","A Rh(ii)-catalyzed three-component reaction of 3-diazooxindoles with N,N-disubstituted anilines and glyoxylates for the synthesis of 3-aryl-3-substituted oxindoles.","Organic & biomolecular chemistry","2016","14","43","10157","10160","10.1039/c6ob01907b","","","0.71073","MoKα","","0.1551","0.0818","","","0.2286","0.2925","","","","","","1.036","","","","has coordinates","188292","2020-10-21","18:00:00",""
"7155296","16.529","0.004","9.1486","0.0018","21.563","0.005","90","","110.685","0.008","90","","3050.5","1.2","113","","113","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C25 H38 N6 O7 S2 -","- C25 H38 N6 O9 S2 -","- C100 H152 N24 O36 S8 -","4","1","","Lin, Huacan; Jiang, Yixiang; Hu, Kuan; Zhang, Qingzhou; He, Chuanxin; Wang, Tao; Li, Zigang","An in-tether sulfilimine chiral center induces β-turn conformation in short peptides.","Organic & biomolecular chemistry","2016","14","42","9993","9999","10.1039/c6ob01805j","","","1.54187","CuKα","","","0.1171","","","","0.3475","","","","","","1.948","","","","has coordinates","188310","2020-10-21","18:00:00",""
"7155297","16.529","0.004","9.1486","0.0018","21.563","0.005","90","","110.685","0.008","90","","3050.5","1.2","113","","113","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C25 H38 N6 O7 S2 -","- C25 H38 N6 O9 S2 -","- C100 H152 N24 O36 S8 -","4","1","","Lin, Huacan; Jiang, Yixiang; Hu, Kuan; Zhang, Qingzhou; He, Chuanxin; Wang, Tao; Li, Zigang","An in-tether sulfilimine chiral center induces β-turn conformation in short peptides.","Organic & biomolecular chemistry","2016","14","42","9993","9999","10.1039/c6ob01805j","","","1.54187","CuKα","","","0.1171","","","","0.3475","","","","","","1.948","","","","has coordinates","188310","2020-10-21","18:00:00",""
"7155298","10.0376","0.00018","11.6437","0.0002","18.2329","0.0003","90","","90","","90","","2130.97","0.06","93","","93","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C24 H23 N2 O3 P -","- C24 H23 N2 O3 P -","- C96 H92 N8 O12 P4 -","4","1","","Lin, Shaoquan; Kumagai, Naoya; Shibasaki, Masakatsu","Enantioselective synthesis of α,α-disubstituted α-amino acids via direct catalytic asymmetric addition of acetonitrile to α-iminoesters.","Organic & biomolecular chemistry","2016","14","41","9725","9730","10.1039/c6ob01874b","","","1.54187","CuKα","","0.0706","0.0653","","","0.1508","0.1523","","","","","","1.277","","","","has coordinates","188286","2020-10-21","18:00:00",""
"7155299","10.877","0.005","11.117","0.005","11.854","0.005","97.983","0.005","103.313","0.005","94.203","0.005","1373.1","1.1","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C39 H24 N2 O2 -","- C39 H24 N2 O2 -","- C78 H48 N4 O4 -","2","1","","Karthik, Shanmugam; Ajantha, Joseph; Nagaraja, C. M.; Easwaramoorthi, Shanmugam; Gandhi, Thirumanavelan","Synthesis and photophysics of extended π-conjugated systems of substituted 10-aryl-pyrenoimidazoles.","Organic & biomolecular chemistry","2016","14","43","10255","10266","10.1039/c6ob01760f","","","0.71073","MoKα","","0.0747","0.0516","","","0.1264","0.1413","","","","","","1.019","","","","has coordinates","188287","2020-10-21","18:00:00",""
"7155300","9.5058","0.001","16.1683","0.0016","17.7882","0.0017","90","","93.27","0.003","90","","2729.5","0.5","0","2","0","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C38 H21 F3 N2 -","- C38 H21 F3 N2 -","- C152 H84 F12 N8 -","4","1","","Karthik, Shanmugam; Ajantha, Joseph; Nagaraja, C. M.; Easwaramoorthi, Shanmugam; Gandhi, Thirumanavelan","Synthesis and photophysics of extended π-conjugated systems of substituted 10-aryl-pyrenoimidazoles.","Organic & biomolecular chemistry","2016","14","43","10255","10266","10.1039/c6ob01760f","","","0.71073","MoKα","","0.099","0.0621","","","0.1757","0.1944","","","","","","1.289","","","","has coordinates","188287","2020-10-21","18:00:00",""
"7155301","19.5798","0.0005","10.5855","0.0002","30.2255","0.0008","90","","100.449","0.002","90","","6160.7","0.3","140","2","140","1","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","","","- C56 H82 Cl4 O14 -","- C56 H82 Cl4 O14 -","- C224 H328 Cl16 O56 -","4","0.5","","Cominetti, Marco M. D.; Hughes, David L.; Matthews, Susan E.","Open-resorcinarenes, a new family of multivalent scaffolds.","Organic & biomolecular chemistry","2016","14","43","10161","10164","10.1039/c6ob02164f","","","0.71073","Mo-Kα","","0.0508","0.0383","","","0.0933","0.0993","","","","","","1.027","","","","has coordinates","188291","2020-10-21","18:00:00",""
"7155302","11.519","0.0003","12.8094","0.0005","15.5844","0.0004","79.044","0.003","77.462","0.002","71.732","0.003","2112.99","0.12","140","2","140","1","","","","","","","","4","P -1","-P 1","2","","","","- C39.5 H52 Cl4 O15.5 -","- C38 H45.5 Cl4 O15.3 -","- C76 H91 Cl8 O30.6 -","2","1","","Cominetti, Marco M. D.; Hughes, David L.; Matthews, Susan E.","Open-resorcinarenes, a new family of multivalent scaffolds.","Organic & biomolecular chemistry","2016","14","43","10161","10164","10.1039/c6ob02164f","","","0.71073","Mo-Kα","","0.1377","0.0743","","","0.191","0.2403","","","","","","1.041","","","","has coordinates,has disorder","188291","2020-10-21","18:00:00",""
"7155303","13.6713","0.0005","13.6859","0.0004","15.8507","0.0005","87.748","0.003","71.565","0.003","84.007","0.003","2798.1","0.17","140","2","140","1","","","","","","","","4","P -1","-P 1","2","","","","- C54 H80 Cl4 O15 -","- C49.1 H58.15 Cl4 O14.55 -","- C98.2 H116.3 Cl8 O29.1 -","2","1","","Cominetti, Marco M. D.; Hughes, David L.; Matthews, Susan E.","Open-resorcinarenes, a new family of multivalent scaffolds.","Organic & biomolecular chemistry","2016","14","43","10161","10164","10.1039/c6ob02164f","","","0.71073","Mo-Kα","","0.0953","0.0671","","","0.1565","0.1718","","","","","","1.046","","","","has coordinates,has disorder","188291","2020-10-21","18:00:00",""
"7155304","12.3214","0.0006","11.6802","0.0005","15.2837","0.0006","90","","107.433","0.004","90","","2098.54","0.17","140","2","140","1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C24 H22 Cl2 O5 -","- C24 H22 Cl2 O5 -","- C96 H88 Cl8 O20 -","4","1","","Cominetti, Marco M. D.; Hughes, David L.; Matthews, Susan E.","Open-resorcinarenes, a new family of multivalent scaffolds.","Organic & biomolecular chemistry","2016","14","43","10161","10164","10.1039/c6ob02164f","","","0.71073","Mo-Kα","","0.0584","0.0382","","","0.0776","0.0832","","","","","","1.028","","","","has coordinates","188291","2020-10-21","18:00:00",""
"7155305","11.799","0.008","10.489","0.006","17.066","0.012","90","","105.461","0.012","90","","2036","2","150","2","150","2","","","","","","","NO","4","P 1 21/c 1","-P 2ybc","14","Fused Indeno Pyridine","1-(1-phenyl-3-p-tolyl-1H-indeno[2,1-c]pyridin-2(9H)-yl)ethanone","","- C27 H23 N O -","- C27 H23 N O -","- C108 H92 N4 O4 -","4","1","","Fathimath Salfeena, C. T.; Ashitha, K. T.; Sasidhar, B. S.","BF3·Et2O mediated one-step synthesis of N-substituted-1,2-dihydropyridines, indenopyridines and 5,6-dihydroisoquinolines.","Organic & biomolecular chemistry","2016","14","43","10165","10169","10.1039/c6ob02133f","","","0.71073","MoKα","","0.1002","0.0577","","","0.1312","0.151","","","","","","0.731","","","","has coordinates","188296","2020-10-21","18:00:00",""
"7155306","12.523","0.013","9.952","0.01","16.598","0.018","90","","107.466","0.016","90","","1973","4","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","1-(2,4-diphenyl-6-(p-tolyl)pyridin-1(2H)-yl)ethanone","","- C26 H23 N O -","- C26 H23 N O -","- C104 H92 N4 O4 -","4","1","","Fathimath Salfeena, C. T.; Ashitha, K. T.; Sasidhar, B. S.","BF3·Et2O mediated one-step synthesis of N-substituted-1,2-dihydropyridines, indenopyridines and 5,6-dihydroisoquinolines.","Organic & biomolecular chemistry","2016","14","43","10165","10169","10.1039/c6ob02133f","","","0.71073","MoKα","","0.1085","0.0714","","","0.1708","0.1943","","","","","","0.655","","","","has coordinates","188296","2020-10-21","18:00:00",""
"7155307","13.729","0.002","8.3619","0.0009","14.594","0.003","90","","114.96","0.02","90","","1518.9","0.5","100","1","100","1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C35 H55 N O Se -","- C35 H55 N O Se -","- C70 H110 N2 O2 Se2 -","2","1","","Sidoryk, Katarzyna; Rárová, Lucie; Oklešťková, Jana; Pakulski, Zbigniew; Strnad, Miroslav; Cmoch, Piotr; Luboradzki, Roman","Synthesis of 28a-homoselenolupanes and 28a-homoselenolupane saponins.","Organic & biomolecular chemistry","2016","14","43","10238","10248","10.1039/c6ob01938b","","","1.54184","CuKα","","0.1157","0.0895","","","0.228","0.2644","","","","","","1.046","","","","has coordinates","188293","2020-10-21","18:00:00",""
"7155308","8.0194","0.0005","16.8849","0.0011","20.7855","0.0013","90","","90","","90","","2814.5","0.3","150","2","150","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C31 H23 Cl3 N2 O3 S -","- C31 H23 Cl3 N2 O3 S -","- C124 H92 Cl12 N8 O12 S4 -","4","1","","Kayal, Satavisha; Mukherjee, Santanu","Catalytic enantioselective cascade Michael/cyclization reaction of 3-isothiocyanato oxindoles with exocyclic α,β-unsaturated ketones en route to 3,2'-pyrrolidinyl bispirooxindoles.","Organic & biomolecular chemistry","2016","14","43","10175","10179","10.1039/c6ob02187e","","","0.71073","MoKα","","0.0386","0.0325","","","0.0683","0.0705","","","","","","1.083","","","","has coordinates","188288","2020-10-21","18:00:00",""
"7155309","10.4127","0.0004","10.9678","0.0004","12.8544","0.0005","81.329","0.002","89.605","0.002","65.632","0.001","1319.47","0.09","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C34 H31 N O4 -","- C34 H31 N O4 -","- C68 H62 N2 O8 -","2","1","","Alajarin, Mateo; Egea, Adrian; Orenes, Raul-Angel; Vidal, Angel","Lewis acid catalyzed [3 + 2] annulation of ketenimines with donor-acceptor cyclopropanes: an approach to 2-alkylidenepyrrolidine derivatives.","Organic & biomolecular chemistry","2016","14","43","10275","10284","10.1039/c6ob02005d","","","1.54178","CuKα","","0.05","0.0429","","","0.1085","0.1143","","","","","","1.055","","","","has coordinates","188290","2020-10-21","18:00:00",""
"7155310","10.8601","0.0016","56.18","0.008","10.8603","0.0016","90","","114.63","0.001","90","","6023.2","1.5","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C37 H35 N O6 -","- C37 H35 N O6 -","- C296 H280 N8 O48 -","8","4","","Alajarin, Mateo; Egea, Adrian; Orenes, Raul-Angel; Vidal, Angel","Lewis acid catalyzed [3 + 2] annulation of ketenimines with donor-acceptor cyclopropanes: an approach to 2-alkylidenepyrrolidine derivatives.","Organic & biomolecular chemistry","2016","14","43","10275","10284","10.1039/c6ob02005d","","","1.54178","CuKα","","0.0312","0.0309","","","0.0783","0.0786","","","","","","1.074","","","","has coordinates","188290","2020-10-21","18:00:00",""
"7155311","12.1869","0.0005","14.43","0.0006","12.8949","0.0005","90","","115.941","0.0017","90","","2039.18","0.15","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Butyl 5-(2-hydroxybenzoyl)-2-(phenylamino)nicotinate","","- C23 H22 N2 O4 -","- C23 H22 N2 O4 -","- C92 H88 N8 O16 -","4","1","","Baral, Ek Raj; Sharma, Kavita; Akhtar, Muhammad Saeed; Lee, Yong Rok","A catalyst- and solvent-free thermal multicomponent approach for the construction of diverse and polysubstituted 2-aminopyridines and their antibacterial activity.","Organic & biomolecular chemistry","2016","14","43","10285","10297","10.1039/c6ob02015a","","","0.71073","MoKα","","0.0866","0.0471","","","0.1063","0.1242","","","","","","1.024","","","","has coordinates","188295","2020-10-21","18:00:00",""
"7155312","4.7439","0.0008","16.18","0.003","18.262","0.003","90","","90","","90","","1401.7","0.4","296","2","296","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C16 H13 Cl N2 O -","- C16 H13 Cl N2 O -","- C64 H52 Cl4 N8 O4 -","4","1","","Zhou, Hui; Deng, Xin Zhao; Zhang, Ai Hua; Tan, Ren Xiang","Visible-light-promoted synthesis of phenanthridines via an intermolecular isocyanide insertion reaction.","Organic & biomolecular chemistry","2016","14","44","10407","10414","10.1039/c6ob02113a","","","0.71073","MoKα","","0.1181","0.0446","","","0.0903","0.1179","","","","","","1.003","","","","has coordinates","190259","2020-10-21","18:00:00",""
"7155313","8.2579","0.0005","16.2062","0.001","21.6169","0.0013","90","","90","","90","","2893","0.3","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C18 H15 Cl N2 O -","- C18 H15 Cl N2 O -","- C144 H120 Cl8 N16 O8 -","8","1","","Zhou, Hui; Deng, Xin Zhao; Zhang, Ai Hua; Tan, Ren Xiang","Visible-light-promoted synthesis of phenanthridines via an intermolecular isocyanide insertion reaction.","Organic & biomolecular chemistry","2016","14","44","10407","10414","10.1039/c6ob02113a","","","1.54178","CuKα","","0.0679","0.0384","","","0.1133","0.1207","","","","","","1.05","","","","has coordinates","190259","2020-10-21","18:00:00",""
"7155314","11.819","0.005","10.742","0.003","12.543","0.005","90","","113.26","0.005","90","","1463","0.9","103.15","","103.15","","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","","","","- C22 H14 -","- C22 H14 -","- C88 H56 -","4","1","","Tanabe, Junki; Taura, Daisuke; Ousaka, Naoki; Yashima, Eiji","Remarkable acceleration of template-directed photodimerisation of 9-phenylethynylanthracene derivatives assisted by complementary salt bridge formation.","Organic & biomolecular chemistry","2016","14","46","10822","10832","10.1039/c6ob02087a","","","0.71075","MoKα","","0.0694","0.0603","","","0.134","0.1403","","","","","","1.122","","","","has coordinates","190254","2020-10-21","18:00:00",""
"7155315","10.616","0.004","18.469","0.007","15.306","0.006","90","","100.612","0.007","90","","2950","2","103.15","","103.15","","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","","","","- C44 H28 -","- C44 H28 -","- C176 H112 -","4","1","","Tanabe, Junki; Taura, Daisuke; Ousaka, Naoki; Yashima, Eiji","Remarkable acceleration of template-directed photodimerisation of 9-phenylethynylanthracene derivatives assisted by complementary salt bridge formation.","Organic & biomolecular chemistry","2016","14","46","10822","10832","10.1039/c6ob02087a","","","0.71075","MoKα","","0.0516","0.0491","","","0.1214","0.1236","","","","","","1.072","","","","has coordinates","190254","2020-10-21","18:00:00",""
"7155316","25.813","0.005","19.94","0.004","27.557","0.006","90","","101.78","0.03","90","","13885","5","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C126 H80 F12 N10 O8 P2 -","- C126 H80 F12 N10 O8 P2 -","- C504 H320 F48 N40 O32 P8 -","4","1","","Wang, Han-Xiao; Hu, Shu-Zhen; Shi, Qiang; Chen, Chuan-Feng","Complexation between a triptycene-derived oxacalixarene and π-extended viologens: linker-length-dependent orientation of the macrocycles in pseudo[3]rotaxanes.","Organic & biomolecular chemistry","2016","14","44","10481","10488","10.1039/c6ob02093c","","","0.71073","MoKα","","0.1595","0.1101","","","0.2757","0.3004","","","","","","1.334","","","","has coordinates","190265","2020-10-21","18:00:00",""
"7155317","31.334","0.004","31.334","0.004","27.064","0.004","90","","90","","120","","23012","5","173.15","","173.15","","","","","","","","","6","R -3","-R 3","148","","","","- C128 H82 F12 N10 O8 P2 -","- C128 H82 F12 N10 O8 P2 -","- C1152 H738 F108 N90 O72 P18 -","9","","","Wang, Han-Xiao; Hu, Shu-Zhen; Shi, Qiang; Chen, Chuan-Feng","Complexation between a triptycene-derived oxacalixarene and π-extended viologens: linker-length-dependent orientation of the macrocycles in pseudo[3]rotaxanes.","Organic & biomolecular chemistry","2016","14","44","10481","10488","10.1039/c6ob02093c","","","0.71073","MoKα","","0.1172","0.1049","","","0.2751","0.2806","","","","","","1.731","","","","has coordinates","190265","2020-10-21","18:00:00",""
"7155318","8.4221","0.0003","9.777","0.0003","11.8865","0.0004","101.423","0.001","98.231","0.001","110.96","0.001","871.07","0.05","290","2","290","2","","","","","","","","4","P 1","P 1","1","butyl iodo methylphenanthren yl selane","butyl(10- iodo-7- methylphenanthren-9- yl) selane","","- C19 H19 I Se -","- C19 H19 I Se -","- C38 H38 I2 Se2 -","2","2","","Grimaldi, Tamiris B.; Lutz, Guilherme; Back, Davi F.; Zeni, Gilson","(Biphenyl-2-alkyne) derivatives as common precursors for the synthesis of 9-iodo-10-organochalcogen-phenanthrenes and 9-organochalcogen-phenanthrenes.","Organic & biomolecular chemistry","2016","14","44","10415","10426","10.1039/c6ob01807f","","","0.71073","MoKα","","0.052","0.036","","","0.0847","0.0919","","","","","","1.025","","","","has coordinates","190262","2020-10-21","18:00:00",""
"7155319","8.473","0.002","19.517","0.004","7.043","0.002","90","","102.04","0.03","90","","1139.1","0.5","293.2","","293.2","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H11 Br N2 O -","- C12 H11 Br N2 O -","- C48 H44 Br4 N8 O4 -","4","1","","Wang, Ying; Wang, Yang; Jiang, Kai; Zhang, Qian; Li, Dong","Transition-metal-free oxidative C5 C-H-halogenation of 8-aminoquinoline amides using sodium halides.","Organic & biomolecular chemistry","2016","14","43","10180","10184","10.1039/c6ob02079h","","","1.54056","CuKa","","0.0594","0.0432","","","0.0964","0.1026","","","","","","1.054","","","","has coordinates","188294","2020-10-21","18:00:00",""
"7155320","10.5659","0.0003","13.366","0.0004","20.8146","0.0004","84.956","0.002","76.05","0.002","77.06","0.002","2778.58","0.13","150","0.1","150","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C33 H28 N4 O S -","- C33 H28 N4 O S -","- C132 H112 N16 O4 S4 -","4","2","","Grolleau, Jérémie; Gohier, Frédéric; Cabanetos, Clément; Allain, Magali; Legoupy, Stéphanie; Frère, Pierre","Syntheses via a direct arylation method of push-pull molecules based on triphenylamine and 3-cyano-4-hexyloxythiophene moieties.","Organic & biomolecular chemistry","2016","14","44","10516","10522","10.1039/c6ob02036d","","x-ray","1.54184","CuKα","","0.0653","0.0538","","","0.1434","0.1554","","","","","","1.074","","","","has coordinates","190263","2020-10-21","18:00:00",""
"7155321","7.367","0.0003","12.1881","0.0003","21.7372","0.0005","90","","90","","90","","1951.78","0.1","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(1S,1R,6R)-tert-butyl 6'-chloro-2'-oxo-6,6a-dihydro-1H-spiro[cyclopropa[a]indene-1,3'-indoline]-1'-carboxylate","","- C22 H19 Cl N O3 -","- C22 H19 Cl N O3 -","- C88 H76 Cl4 N4 O12 -","4","1","","Chi, Yongjian; Qiu, Lihua; Xu, Xinfang","Highly enantioselective synthesis of spirocyclopropyloxindoles via a Rh(ii)-catalyzed asymmetric cyclopropanation reaction.","Organic & biomolecular chemistry","2016","14","44","10357","10361","10.1039/c6ob02160c","","","1.54184","CuKα","","0.0577","0.0474","","","0.1366","0.1482","","","","","","1.066","","","","has coordinates,has disorder","190260","2020-10-21","18:00:00",""
"7155322","11.3609","0.0003","11.3606","0.0003","14.5605","0.0004","90","","90","","90","","1879.27","0.09","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C21 H20 Cl N O3 -","- C21 H20 Cl N O3 -","- C84 H80 Cl4 N4 O12 -","4","1","","Chi, Yongjian; Qiu, Lihua; Xu, Xinfang","Highly enantioselective synthesis of spirocyclopropyloxindoles via a Rh(ii)-catalyzed asymmetric cyclopropanation reaction.","Organic & biomolecular chemistry","2016","14","44","10357","10361","10.1039/c6ob02160c","","","1.54184","CuKα","","0.0512","0.0478","","","0.1311","0.1361","","","","","","1.042","","","","has coordinates","190260","2020-10-21","18:00:00",""
"7155323","9.033","0.0005","9.8048","0.0007","12.0153","0.0007","90","","90.156","0.005","90","","1064.15","0.11","223","0.1","223","0.1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C23 H24 Cl N O4 -","- C23 H24 Cl N O4 -","- C46 H48 Cl2 N2 O8 -","2","1","","Chi, Yongjian; Qiu, Lihua; Xu, Xinfang","Highly enantioselective synthesis of spirocyclopropyloxindoles via a Rh(ii)-catalyzed asymmetric cyclopropanation reaction.","Organic & biomolecular chemistry","2016","14","44","10357","10361","10.1039/c6ob02160c","","","0.71073","MoKα","","0.0427","0.0362","","","0.0822","0.0857","","","","","","1.048","","","","has coordinates","190260","2020-10-21","18:00:00",""
"7155324","9.8675","0.0005","10.2949","0.0005","11.0351","0.0006","117.594","0.005","105.751","0.005","97.854","0.004","909.82","0.11","300","","300","","","","","","","","","4","P -1","-P 1","2","","13-(tert-butylamino)-5,6-dihydropyrido[2',1':2,3]imidazo[5,1-a]isoquinolin-7-ium bromide","","- C19 H22 Br N3 -","- C19 H22 Br N3 -","- C38 H44 Br2 N6 -","2","1","","Sagar, A.; Nagarjuna Babu, Venkata; Shinde, Anand H.; Sharada, Duddu S.","A metal-free cyclic iminium induced one-pot double annulation cascade: access to dihydroisoquinolinium (DHIQ) salts.","Organic & biomolecular chemistry","2016","14","44","10366","10370","10.1039/c6ob02089e","","x-ray","1.54184","CuKα","","0.0396","0.0354","","","0.0904","0.0939","","","","","","1.05","","","","has coordinates","190261","2020-10-21","18:00:00",""
"7155327","8.3983","0.0004","14.6292","0.0006","16.7263","0.0008","92.703","0.003","101.462","0.003","104.534","0.003","1939.34","0.16","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","[2^3^-<i>tert</i>-Butyl-8,12,13,17-tetraethyl-7,18-dimethyl-21-oxyazuliporphyrin chloroform solvate","","- C42 H47 Cl6 N3 O -","- C41 H46 Cl3 N3 O -","- C82 H92 Cl6 N6 O2 -","2","1","","Adiraju, Venkata A. K.; Ferrence, Gregory M.; Lash, Timothy D.","Regioselective oxidation and metalation of meso-unsubstituted azuliporphyrins.","Organic & biomolecular chemistry","2016","14","44","10523","10533","10.1039/c6ob02052f","","x-ray","0.71073","MoKα","","0.1149","0.0586","","","","0.1483","","","","","","1.015","","","","has coordinates,has disorder","190266","2020-10-21","18:00:00",""
"7155328","12.6923","0.0007","13.2018","0.0007","13.612","0.0008","64.986","0.003","62.582","0.003","86.745","0.003","1807.56","0.19","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","[2^3^-<i>tert</i>-Butyl-8,12,13,17-tetraethyl-7,18-dimethyl-21-oxyazuliporphyrinato]copper(ii) chloroform solvate","","- C41 H44 Cl3 Cu N3 O -","- C41 H44 Cl3 Cu N3 O -","- C82 H88 Cl6 Cu2 N6 O2 -","2","1","","Adiraju, Venkata A. K.; Ferrence, Gregory M.; Lash, Timothy D.","Regioselective oxidation and metalation of meso-unsubstituted azuliporphyrins.","Organic & biomolecular chemistry","2016","14","44","10523","10533","10.1039/c6ob02052f","","x-ray","0.71073","MoKα","","0.0473","0.0338","","","","0.0824","","","","","","1.022","","","","has coordinates","190266","2020-10-21","18:00:00",""
"7155329","11.5534","0.0007","12.889","0.0008","13.1228","0.0008","94.893","0.004","114.886","0.003","110.418","0.003","1598.2","0.19","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","[2^3^-<i>tert</i>-Butyl-8,12,13,17-tetraethyl-7,18-dimethyl-21-oxyazuliporphyrinato]palladium(ii)","","- C40 H43 N3 O Pd -","- C40 H43 N3 O Pd -","- C80 H86 N6 O2 Pd2 -","2","1","","Adiraju, Venkata A. K.; Ferrence, Gregory M.; Lash, Timothy D.","Regioselective oxidation and metalation of meso-unsubstituted azuliporphyrins.","Organic & biomolecular chemistry","2016","14","44","10523","10533","10.1039/c6ob02052f","","x-ray","0.71073","MoKα","","0.0538","0.038","","","","0.0957","","","","","","1.068","","","","has coordinates,has disorder","190266","2020-10-21","18:00:00",""
"7155330","8.3457","0.0012","8.8632","0.0014","15.254","0.002","87.065","0.004","88.132","0.005","68.586","0.004","1048.9","0.3","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C24 H27 B F2 N2 O2 -","- C24 H27 B F2 N2 O2 -","- C48 H54 B2 F4 N4 O4 -","2","1","","Das, Debasis; Adhikari, Susanta; Ghosh, Avijit; Mandal, Sandip; Guria, Subhajit; Banerjee, Prajna Paramita; Chattopadhyay, Ansuman","Colorimetric and fluorescence probe for detection of nano molar lysine in aqueous medium","Org. Biomol. Chem.","2016","","","","","10.1039/C6OB01704E","","","0.71073","MoKα","","0.0944","0.0582","","","0.1469","0.169","","","","","","0.968","","","","has coordinates","187449","2020-10-21","18:00:00",""
"7155331","10.3562","0.0019","14.494","0.003","10.9559","0.0019","90","","98.598","0.003","90","","1626","0.5","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C16 H21 N3 O3 -","- C16 H21 N3 O3 -","- C64 H84 N12 O12 -","4","1","","Li, Jiawen; Qin, Guiping; Huang, Hanmin","Silver-catalyzed nucleophilic substitution of aminals with ethyl diazoacetate: a new pathway to β-amino-α-diazoesters.","Organic & biomolecular chemistry","2016","14","45","10572","10575","10.1039/c6ob02136k","","","0.71073","MoKα","","0.0923","0.0518","","","0.1161","0.1361","","","","","","0.996","","","","has coordinates","190258","2020-10-21","18:00:00",""
"7155332","10.309","0.005","14.264","0.007","10.935","0.005","90","","98.732","0.008","90","","1589.3","1.3","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C15 H18 Cl N3 O3 -","- C15 H18 Cl N3 O3 -","- C60 H72 Cl4 N12 O12 -","4","1","","Li, Jiawen; Qin, Guiping; Huang, Hanmin","Silver-catalyzed nucleophilic substitution of aminals with ethyl diazoacetate: a new pathway to β-amino-α-diazoesters.","Organic & biomolecular chemistry","2016","14","45","10572","10575","10.1039/c6ob02136k","","","0.71073","MoKα","","0.0666","0.0497","","","0.1435","0.1601","","","","","","0.997","","","","has coordinates","190258","2020-10-21","18:00:00",""
"7155333","7.5325","0.0007","8.2606","0.0007","9.0301","0.0008","73.705","0.008","83.998","0.008","68.21","0.008","500.78","0.08","295","2","295","2","","","","","","","Synthesized compound","3","P -1","-P 1","2","","6-methyl-3-(pyridin-2-yl)-[1,2,4]triazolo[4,3-a]pyridine","","- C12 H10 N4 -","- C12 H10 N4 -","- C24 H20 N8 -","2","1","","Inturi, Surendra Babu; Kalita, Biswajit; Ahamed, A. Jafar","I2-TBHP-catalyzed one-pot highly efficient synthesis of 4,3-fused 1,2,4-triazoles from N-tosylhydrazones and aromatic N-heterocycles via intermolecular formal 1,3-dipolar cycloaddition.","Organic & biomolecular chemistry","2016","14","47","11061","11064","10.1039/c6ob01926a","","","0.71073","MoKα","","0.0625","0.0493","","","0.098","0.1054","","","","","","1.165","","","","has coordinates","190268","2020-10-21","18:00:00",""
"7155334","6.5842","0.001","10.527","0.003","14.581","0.003","90","","90","","90","","1010.6","0.4","295","2","295","2","","","","","","","Synthesized compound","4","P 21 21 21","P 2ac 2ab","19","","6-fluoro-3-phenyl-[1,2,4]triazolo[4,3-a]pyridine","","- C12 H8 F N3 -","- C12 H8 F N3 -","- C48 H32 F4 N12 -","4","1","","Inturi, Surendra Babu; Kalita, Biswajit; Ahamed, A. Jafar","I2-TBHP-catalyzed one-pot highly efficient synthesis of 4,3-fused 1,2,4-triazoles from N-tosylhydrazones and aromatic N-heterocycles via intermolecular formal 1,3-dipolar cycloaddition.","Organic & biomolecular chemistry","2016","14","47","11061","11064","10.1039/c6ob01926a","","","0.71073","MoKα","","0.0634","0.0407","","","0.0668","0.0765","","","","","","0.984","","","","has coordinates","190268","2020-10-21","18:00:00",""
"7155335","6.48478","0.00012","10.65822","0.00019","30.3573","0.0006","85.3716","0.0008","88.6754","0.0007","78.29","0.0007","2047.76","0.07","93","","93","","","","","","","","","5","P -1","-P 1","2","","TPPbeSi","","- C45 H46 N4 O2 Si3 -","- C45 H46 N4 O2 Si3 -","- C90 H92 N8 O4 Si6 -","2","1","","Sugita, Noriaki; Hayashi, Satoshi; Shibata, Masashi; Endo, Taiga; Noji, Masahiro; Takatori, Kazuhiko; Takanami, Toshikatsu","Regioselective β-silylation of porphyrins via iridium-catalyzed C-H bond activation.","Organic & biomolecular chemistry","2016","14","43","10189","10192","10.1039/c6ob02243j","","","1.54187","CuKα","","0.0731","0.0552","","","0.1527","0.1694","","","","","","1.115","","","","has coordinates","188289","2020-10-21","18:00:00",""
"7155336","10.22","0.08","27.88","0.1","9.39","0.11","90","","90","","90","","2676","4","296","","296","","","","","","","","","4","P b c a","-P 2ac 2ab","61","9a","6-Benzoylmethyl-2-ethanoylamino-pyridine","","- C15 H14 N2 O2 -","- C15 H14 N2 O2 -","- C120 H112 N16 O16 -","8","1","","Le, Song Thi; Fujimoto, Toshiki; Asahara, Haruyasu; Nishiwaki, Nagatoshi","Synthesis of 6-substituted 2-phenacylpyridines from 2-(phenylethynyl)pyridine via isoxazolo[2,3-a]pyridinium salt","Org. Biomol. Chem.","2016","","","","","10.1039/C6OB01942K","","","0.71069","MoKα","","","0.0571","","","","0.193","","","","","","0.918","","","","has coordinates","187545","2020-10-21","18:00:00",""
"7155337","10.2408","0.0011","11.0014","0.0012","17.5608","0.0019","90","","90","","90","","1978.5","0.4","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C21 H24 O5 S -","- C21 H24 O5 S -","- C84 H96 O20 S4 -","4","1","","Wang, Xuan; Sun, Wangbin; Zou, Jian-Ping; lin, guoqiang; Sun, Bingfeng","Asymmetric Total Synthesis of Hedyosumin E aglycon, 7,10-Epoxyhedyosminolide and ent-Zedolactone A","Org. Biomol. Chem.","2016","","","","","10.1039/C6OB02179D","","","0.71073","MoKα","","0.0316","0.0299","","","0.0785","0.0799","","","","","","1.039","","","","has coordinates","187546","2020-10-21","18:00:00",""
"7155338","32.0131","0.0005","15.5735","0.0002","14.771","0.0004","90","","90","","90","","7364.2","0.2","120","2","120","2","","","","","","","","6","P 21 21 2","P 2 2ab","18","","","","- C118 H198 N33 O26.4 P3 S5 -","- C118 H198 N33 O26.4 P3 S5 -","- C236 H396 N66 O52.8 P6 S10 -","2","0.5","","Mungalpara, Disha; Kelm, Harald; Valkonen, Arto; Rissanen, Kari; Keller, Sandro; Kubik, Stefan","Oxoanion binding to a cyclic pseudopeptide containing 1,4-disubstituted 1,2,3-triazole moieties.","Organic & biomolecular chemistry","2016","15","1","102","113","10.1039/c6ob02172g","","","1.54184","CuKα","","0.1365","0.1279","","","0.3742","0.3923","","","","","","1.76","","","","has coordinates,has disorder","191751","2020-10-21","18:00:00",""
"7155339","9.3172","0.0002","18.6791","0.0004","29.1423","0.0005","90","","90","","90","","5071.84","0.18","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","cyclo[(R)-Lac-1,4-Tri-Epa]3","","","- C40 H57 N15 O8.35 S5 -","- C40 H57 N15 O8.35 S5 -","- C160 H228 N60 O33.4 S20 -","4","1","","Mungalpara, Disha; Kelm, Harald; Valkonen, Arto; Rissanen, Kari; Keller, Sandro; Kubik, Stefan","Oxoanion binding to a cyclic pseudopeptide containing 1,4-disubstituted 1,2,3-triazole moieties.","Organic & biomolecular chemistry","2016","15","1","102","113","10.1039/c6ob02172g","","","1.54184","CuKα","","0.035","0.0327","","","0.0821","0.0843","","","","","","1.033","","","","has coordinates,has disorder","191751","2020-10-21","18:00:00",""
"7155342","7.2335","0.0018","10.875","0.003","14.08","0.004","69.0021","0.0018","89.6","0.002","73.302","0.002","984.7","0.5","298","2","298.15","","","","","","","","","5","P -1","-P 1","2","","Z2-52-2","","- C20 H21 N O5 S -","- C20 H21 N O5 S -","- C40 H42 N2 O10 S2 -","2","1","","Zhang, Shuyao; Shan, Chuan; Zhang, Shuai; Yuan, Luye; Wang, Jianwu; Tung, Chen-Ho; Xing, Ling-Bao; Xu, Zhenghu","Breaking aziridines to construct morpholines with a gold(i)-catalyzed tandem ring-opening and cycloisomerization reaction.","Organic & biomolecular chemistry","2016","14","46","10973","10980","10.1039/c6ob02284g","","","0.71","MoKα","","0.0991","0.0792","","","0.2246","0.26","","","","","","1.033","","","","has coordinates","190255","2020-10-21","18:00:00",""
"7155343","13.49","0.004","7.784","0.003","16.677","0.005","90","","105.231","0.003","90","","1689.7","1","298","2","298.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H21 N O3 S -","- C18 H21 N O3 S -","- C72 H84 N4 O12 S4 -","4","1","","Zhang, Shuyao; Shan, Chuan; Zhang, Shuai; Yuan, Luye; Wang, Jianwu; Tung, Chen-Ho; Xing, Ling-Bao; Xu, Zhenghu","Breaking aziridines to construct morpholines with a gold(i)-catalyzed tandem ring-opening and cycloisomerization reaction.","Organic & biomolecular chemistry","2016","14","46","10973","10980","10.1039/c6ob02284g","","","0.71","MoKα","","0.1152","0.0507","","","0.0944","0.1166","","","","","","0.999","","","","has coordinates","190255","2020-10-21","18:00:00",""
"7155344","5.3124","0.0004","7.0459","0.0008","29.215","0.002","90","","90","","90","","1093.54","0.17","296","2","296","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","Butyl 2-deoxy-3,6-anhydro-beta-D-arabinohexofuranoside","","- C10 H18 O5 -","- C10 H18 O5 -","- C40 H72 O20 -","4","1","","Zhang, Chenxi; Wang, Chengcheng; Wang, Zihao; Tanabe, Genzoh; Muraoka, Osamu; Lin, Aijun; Xu, Jinyi; Wu, Xiaoming; Wu, Liang; Xie, Weijia","Total synthesis, structural elucidation and anti-inflammatory activity evaluation of 2-deoxy-3,6-anhydro hexofuranoside derivatives isolated from Sauropus rostratus.","Organic & biomolecular chemistry","2016","14","46","10906","10913","10.1039/c6ob02207c","","","1.54178","CuKα","","0.0602","0.06","","","0.1604","0.1604","","","","","","1.107","","","","has coordinates","190253","2020-10-21","18:00:00",""
"7155345","5.1901","0.0006","18.063","0.003","12.141","0.0013","90","","93.142","0.011","90","","1136.5","0.3","293.18","0.1","293","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2,5-diphenyl-1,3,4-oxadiazole","","- C14 H10 N2 O -","- C14 H10 N2 O -","- C56 H40 N8 O4 -","4","1","","Zhang, Weigang; Su, Yingpeng; Chong, Siying; Wu, Lili; Cao, Guiyan; Huang, Danfeng; Wang, Ke-Hu; Hu, Yulai","Phenyliodonium diacetate mediated carbotrifluoromethylation of N-acylhydrazones.","Organic & biomolecular chemistry","2016","14","47","11162","11175","10.1039/c6ob02041k","","x-ray","0.71073","MoKα","","0.2476","0.0946","","","0.1585","0.2374","","","","","","0.981","","","","has coordinates","190267","2020-10-21","18:00:00",""
"7155346","5.7064","0.0005","17.0772","0.0013","14.1572","0.0009","90","","94.665","0.007","90","","1375.04","0.18","293.69","0.16","293.69","0.16","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(E)-N'-(2,2,2-Trifluoro-1-phenylethylidene)benzohydrazide","","- C15 H11 F3 N2 O -","- C15 H11 F3 N2 O -","- C60 H44 F12 N8 O4 -","4","1","","Zhang, Weigang; Su, Yingpeng; Chong, Siying; Wu, Lili; Cao, Guiyan; Huang, Danfeng; Wang, Ke-Hu; Hu, Yulai","Phenyliodonium diacetate mediated carbotrifluoromethylation of N-acylhydrazones.","Organic & biomolecular chemistry","2016","14","47","11162","11175","10.1039/c6ob02041k","","x-ray","0.71073","MoKα","","0.1181","0.0572","","","0.117","0.1527","","","","","","1.037","","","","has coordinates","190267","2020-10-21","18:00:00",""
"7155347","10.237","0.0003","10.237","0.0003","16.675","0.0004","90","","90","","90","","1747.48","0.08","298","2","298","2","","","","","","","","5","P 41","P 4w","76","F-THENA","8-Fluoro-1,2,3,4-tetrahydro-1,4-epoxynaphthalene-1-carboxylic acid","","- C20 H20 F N O3 -","- C20 H20 F N O3 -","- C80 H80 F4 N4 O12 -","4","1","","Dolsophon, Kulvadee; Soponpong, Jakapun; Kornsakulkarn, Jittra; Thongpanchang, Chawanee; Prabpai, Samran; Kongsaeree, Palangpon; Thongpanchang, Tienthong","F-THENA: a chiral derivatizing agent for the determination of the absolute configuration of secondary aromatic alcohols with a self-validating system.","Organic & biomolecular chemistry","2016","14","46","11002","11012","10.1039/c6ob02255c","","x-ray","0.71073","MoKα","","0.046","0.0394","","","0.0905","0.0953","","","","","","1.049","","","","has coordinates","190252","2020-10-21","18:00:00",""
"7155349","12.104","0.002","34.297","0.007","7.195","0.0014","90","","90","","90","","2986.9","1","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C32 H54 O4 -","- C32 H54 O4 -","- C128 H216 O16 -","4","1","","Chen, Dongyin; Zhang, Pu; Sun, Yan; Wang, Pengfei; Zhang, Can; Kong, Lingyi; Zhang, Ji; Sun, Hongbin; Wen, Xiaoan","Protonated montmorillonite-mediated highly specific isomerization of oleanolic acid esters: application to the synthesis of Δ(13(18))-CDDO-Me.","Organic & biomolecular chemistry","2016","14","47","11154","11161","10.1039/c6ob02126c","","","0.71073","MoKα","","0.1422","0.0789","","","0.1635","0.1978","","","","","","1.006","","","","has coordinates","190271","2020-10-21","18:00:00",""
"7155350","11.943","0.002","5.5757","0.0011","27.176","0.006","90","","91.791","0.007","90","","1808.8","0.6","125","","125","","","","","","","","","3","P 1 2/c 1","-P 2yc","13","","","","- C21 H28 F4 -","- C21 H28 F4 -","- C84 H112 F16 -","4","1","","Al-Maharik, Nawaf; Kirsch, Peer; Slawin, Alexandra M. Z.; Cordes, David B.; O'Hagan, David","Fluorinated liquid crystals: evaluation of selectively fluorinated facially polarised cyclohexyl motifs for liquid crystal applications.","Organic & biomolecular chemistry","2016","14","42","9974","9980","10.1039/c6ob01986b","","","1.54187","CuKα","","0.0537","0.0516","","","0.1699","0.1727","","","","","","1.059","","","","has coordinates","188032","2020-10-21","18:00:00",""
"7155351","27.34","0.02","5.534","0.004","12.092","0.011","90","","102.294","0.019","90","","1788","2","125","","125","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C21 H29 F3 -","- C21 H29 F3 -","- C84 H116 F12 -","4","1","","Al-Maharik, Nawaf; Kirsch, Peer; Slawin, Alexandra M. Z.; Cordes, David B.; O'Hagan, David","Fluorinated liquid crystals: evaluation of selectively fluorinated facially polarised cyclohexyl motifs for liquid crystal applications.","Organic & biomolecular chemistry","2016","14","42","9974","9980","10.1039/c6ob01986b","","","1.54187","CuKα","","0.1506","0.0909","","","0.2512","0.2943","","","","","","1.108","","","","has coordinates","188032","2020-10-21","18:00:00",""
"7155352","11.934","0.003","5.5818","0.0015","26.703","0.007","90","","90.656","0.006","90","","1778.7","0.8","173","","173","","","","","","","","","3","P 1 2/c 1","-P 2yc","13","","","","- C21 H30 F2 -","- C21 H30 F2 -","- C84 H120 F8 -","4","1","","Al-Maharik, Nawaf; Kirsch, Peer; Slawin, Alexandra M. Z.; Cordes, David B.; O'Hagan, David","Fluorinated liquid crystals: evaluation of selectively fluorinated facially polarised cyclohexyl motifs for liquid crystal applications.","Organic & biomolecular chemistry","2016","14","42","9974","9980","10.1039/c6ob01986b","","","0.71075","MoKα","","0.2025","0.081","","","0.1331","0.1732","","","","","","1.019","","","","has coordinates,has disorder","188032","2020-10-21","18:00:00",""
"7155353","5.3032","0.0006","25.832","0.003","13.1164","0.0017","90","","97.667","0.003","90","","1780.8","0.4","173","","173","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C21 H31 F -","- C21 H31 F -","- C84 H124 F4 -","4","1","","Al-Maharik, Nawaf; Kirsch, Peer; Slawin, Alexandra M. Z.; Cordes, David B.; O'Hagan, David","Fluorinated liquid crystals: evaluation of selectively fluorinated facially polarised cyclohexyl motifs for liquid crystal applications.","Organic & biomolecular chemistry","2016","14","42","9974","9980","10.1039/c6ob01986b","","","0.71075","MoKα","","0.065","0.0532","","","0.1468","0.1545","","","","","","1.067","","","","has coordinates,has disorder","188032","2020-10-21","18:00:00",""
"7155354","5.4875","0.0006","9.8366","0.0009","16.6611","0.0015","79.139","0.011","84.202","0.015","79.462","0.015","866.27","0.16","124","","124","","","","","","","","","3","P -1","-P 1","2","","","","- C21 H28 O2 -","- C21 H28 O2 -","- C42 H56 O4 -","2","1","","Al-Maharik, Nawaf; Kirsch, Peer; Slawin, Alexandra M. Z.; Cordes, David B.; O'Hagan, David","Fluorinated liquid crystals: evaluation of selectively fluorinated facially polarised cyclohexyl motifs for liquid crystal applications.","Organic & biomolecular chemistry","2016","14","42","9974","9980","10.1039/c6ob01986b","","","1.54187","CuKα","","0.057","0.0535","","","0.1604","0.1621","","","","","","1.145","","","","has coordinates","188032","2020-10-21","18:00:00",""
"7155355","10.07","0.003","15.616","0.004","17.611","0.004","94.94","0.007","91.272","0.006","95.758","0.007","2743.8","1.2","173","","173","","","","","","","","","5","P -1","-P 1","2","","","","- C23 H28 F8 O6 S2 -","- C23 H28 F8 O6 S2 -","- C92 H112 F32 O24 S8 -","4","2","","Al-Maharik, Nawaf; Kirsch, Peer; Slawin, Alexandra M. Z.; Cordes, David B.; O'Hagan, David","Fluorinated liquid crystals: evaluation of selectively fluorinated facially polarised cyclohexyl motifs for liquid crystal applications.","Organic & biomolecular chemistry","2016","14","42","9974","9980","10.1039/c6ob01986b","","","0.71075","MoKα","","0.2105","0.0963","","","0.2277","0.2772","","","","","","1.047","","","","has coordinates","188032","2020-10-21","18:00:00",""
"7155356","44.56","0.017","5.5896","0.0015","26.277","0.01","90","","124.357","0.007","90","","5403","3","173","","173","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C23 H28 F8 O6 S2 -","- C23 H28 F8 O6 S2 -","- C184 H224 F64 O48 S16 -","8","1","","Al-Maharik, Nawaf; Kirsch, Peer; Slawin, Alexandra M. Z.; Cordes, David B.; O'Hagan, David","Fluorinated liquid crystals: evaluation of selectively fluorinated facially polarised cyclohexyl motifs for liquid crystal applications.","Organic & biomolecular chemistry","2016","14","42","9974","9980","10.1039/c6ob01986b","","","0.71075","MoKα","","0.1467","0.0648","","","0.1275","0.1673","","","","","","1.067","","","","has coordinates","188032","2020-10-21","18:00:00",""
"7155357","5.4268","0.0008","10.7827","0.0015","19.506","0.003","78.369","0.006","82.27","0.007","79.893","0.006","1094.8","0.3","93","","93","","","","","","","","","5","P -1","-P 1","2","","","","- C22 H27 F5 O3 S -","- C22 H27 F5 O3 S -","- C44 H54 F10 O6 S2 -","2","1","","Al-Maharik, Nawaf; Kirsch, Peer; Slawin, Alexandra M. Z.; Cordes, David B.; O'Hagan, David","Fluorinated liquid crystals: evaluation of selectively fluorinated facially polarised cyclohexyl motifs for liquid crystal applications.","Organic & biomolecular chemistry","2016","14","42","9974","9980","10.1039/c6ob01986b","","","0.71075","MoKα","","0.0495","0.0434","","","0.1159","0.1317","","","","","","1.061","","","","has coordinates","188032","2020-10-21","18:00:00",""
"7155358","10.672","0.002","7.6389","0.0014","36.525","0.007","90","","92.495","0.003","90","","2974.8","1","298","2","298.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C21 H12 N2 O -","- C21 H12 N2 O -","- C168 H96 N16 O8 -","8","2","","Hu, Fangdong; Liu, Huanhuan; Jia, Jiong; Ma, Chen","Transition-metal-free synthesis of indole-fused dibenzo[b,f][1,4]oxazepines via Smiles rearrangement.","Organic & biomolecular chemistry","2016","14","47","11076","11079","10.1039/c6ob02098d","","","0.71","MoKα","","0.1038","0.0659","","","0.0937","0.1034","","","","","","1.091","","","","has coordinates","202518","2020-10-21","18:00:00",""
"7155359","9.05634","0.00018","11.2038","0.0002","30.5045","0.0005","90","","90","","90","","3095.15","0.1","293","","293","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C28 H35 Br N2 O7 S -","- C28 H35 Br N2 O7 S -","- C112 H140 Br4 N8 O28 S4 -","4","1","","Chowdhury, Raghunath; Kumar, Mukesh; Ghosh, Sunil K.","Organocatalyzed enantioselective Michael addition/cyclization cascade reaction of 3-isothiocyanato oxindoles with arylidene malonates.","Organic & biomolecular chemistry","2016","14","47","11250","11260","10.1039/c6ob02104b","","x-ray","1.54184","CuKα","","0.0622","0.0542","","","0.1486","0.1603","","","","","","1.054","","","","has coordinates","190269","2020-10-21","18:00:00",""
"7155360","7.1072","0.0005","13.7421","0.0011","27.891","0.002","90","","90","","90","","2724.1","0.3","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C29 H46 O4 Si -","- C29 H46 O4 Si -","- C116 H184 O16 Si4 -","4","1","","Dethe, Dattatraya H.; Dherange, Balu D.; Ali, Saghir; Parsutkar, Mahesh M.","Enantiospecific total syntheses of meroterpenoids (-)-F1839-I and (-)-corallidictyals B and D.","Organic & biomolecular chemistry","2016","15","1","65","68","10.1039/c6ob02322c","","","0.71073","MoKα","","0.0401","0.0345","","","0.0858","0.0937","","","","","","1.112","","","","has coordinates","191756","2020-10-21","18:00:00",""
"7155361","11.9878","0.0006","13.1429","0.0007","14.8309","0.0008","72.229","0.002","86.297","0.002","66.705","0.002","2039.57","0.19","100.15","","100.15","","","","","","","","","4","P -1","-P 1","2","","","","- C24 H25 Br O3 -","- C24 H25 Br O3 -","- C96 H100 Br4 O12 -","4","2","","Roselli, Christina A.; Gagné, Michel R","Gold(i)-catalyzed addition of aldehydes to cyclopropylidene bearing 6-aryl-1,5-enynes.","Organic & biomolecular chemistry","2016","14","47","11261","11265","10.1039/c6ob02128j","","","1.54178","CuKα","","0.0283","0.0262","","","0.066","0.0674","","","","","","1.054","","","","has coordinates","203412","2020-10-21","18:00:00",""
"7155362","14.369","0.002","15.522","0.003","20.704","0.004","87.071","0.002","81.557","0.002","64.601","0.002","4125.8","1.3","120","0.1","120","0.1","","","","","","","","5","P -1","-P 1","2","","epoxy_ingenol derivative","","- C39 H59 Br O7 Si2 -","- C39 H59 Br O7 Si2 -","- C156 H236 Br4 O28 Si8 -","4","2","","Ohyoshi, Takayuki; Tamura, Yuki; Hayakawa, Ichiro; Hirai, Go; Miyazawa, Yamato; Funakubo, Shota; Sodeoka, Mikiko; Kigoshi, Hideo","Total synthesis of natural derivatives and artificial analogs of 13-oxyingenol and their biological evaluation.","Organic & biomolecular chemistry","2016","14","48","11426","11437","10.1039/c6ob02268e","","","0.71073","MoKα","","0.2126","0.1423","","","0.3578","0.4093","","","","","","1.013","","","","has coordinates","190256","2020-10-21","18:00:00",""
"7155363","17.1553","0.0007","11.3125","0.0004","19.1705","0.0007","90","","90","","90","","3720.4","0.2","123","2","123","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","6-(5-Cyano-1<i>H</i>-indol-1-yl)indolo[2,1-<i>a</i>]isoquinoline-10-carbonitrile","","- C26 H14 N4 -","- C26 H14 N4 -","- C208 H112 N32 -","8","1","","Ausekle, Elina; Ejaz, Syeda Abida; Khan, Shafi Ullah; Ehlers, Peter; Villinger, Alexander; Lecka, Joanna; Sévigny, Jean; Iqbal, Jamshed; Langer, Peter","New one-pot synthesis of N-fused isoquinoline derivatives by palladium-catalyzed C-H arylation: potent inhibitors of nucleotide pyrophosphatase-1 and -3.","Organic & biomolecular chemistry","2016","14","48","11402","11414","10.1039/c6ob02236g","","","0.71073","MoKα","","0.0897","0.0497","","","0.1019","0.1223","","","","","","1.008","","","","has coordinates","190257","2020-10-21","18:00:00",""
"7155364","5.4842","0.0015","15.284","0.004","16.885","0.005","90","","90","","90","","1415.3","0.7","296","2","296.15","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(R)-1-bromo-4-(2-nitro-1-(p-tolyl)ethyl)benzene","","- C15 H14 Br N O2 -","- C15 H14 Br N O2 -","- C60 H56 Br4 N4 O8 -","4","1","","Li, Ruikun; Wen, Zhongqing; Wu, Na","A nordehydroabietyl amide-containing chiral diene for rhodium-catalysed asymmetric arylation to nitroolefins.","Organic & biomolecular chemistry","2016","14","47","11080","11084","10.1039/c6ob02202b","","","0.71073","MoKα","","0.0521","0.0356","","","0.0811","0.0881","","","","","","1.03","","","","has coordinates","190275","2020-10-21","18:00:00",""
"7155365","9.9971","0.0002","10.9922","0.0002","18.9189","0.0003","90","","93.6089","0.001","90","","2074.88","0.07","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","SKL-20150205","","","- C21 H22 N O5 S -","- C21 H22 N O5 S -","- C84 H88 N4 O20 S4 -","4","1","","Jeon, Hyun Ji; Kwak, Mi Soo; Jung, Da Jung; Bouffard, Jean; Lee, Sang-Gi","Synthesis of α-methylene-δ-oxo-γ-amino esters via Rh(ii)-catalyzed coupling of 1-sulfonyl-1,2,3-triazoles with Morita-Baylis-Hillman adducts.","Organic & biomolecular chemistry","2016","14","47","11238","11243","10.1039/c6ob02086k","","","0.71073","","","0.0968","0.0532","","","0.1266","0.148","","","","","","1.038","","","","has coordinates","190274","2020-10-21","18:00:00",""
"7155366","9.1944","0.0008","10.833","0.0009","13.2249","0.0012","70.003","0.004","83.089","0.004","89.062","0.004","1228.4","0.19","170","2","170","2","","","","","","","","5","P -1","-P 1","2","HG-01","","","- C27 H27 N O5 S -","- C27 H27 N O5 S -","- C54 H54 N2 O10 S2 -","2","1","","Jeon, Hyun Ji; Kwak, Mi Soo; Jung, Da Jung; Bouffard, Jean; Lee, Sang-Gi","Synthesis of α-methylene-δ-oxo-γ-amino esters via Rh(ii)-catalyzed coupling of 1-sulfonyl-1,2,3-triazoles with Morita-Baylis-Hillman adducts.","Organic & biomolecular chemistry","2016","14","47","11238","11243","10.1039/c6ob02086k","","","0.71073","","","0.1087","0.0892","","","0.1579","0.1674","","","","","","1.167","","","","has coordinates","190274","2020-10-21","18:00:00",""
"7155367","16.3439","0.0005","5.9484","0.0002","12.9762","0.0005","90","","90","","90","","1261.55","0.08","100","0.1","100","0.1","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C14 H17 N O3 -","- C14 H17 N O3 -","- C56 H68 N4 O12 -","4","1","","Piens, Nicola; De Craene, Sven; Franceus, Jorick; Mollet, Karen; Van Hecke, Kristof; Desmet, Tom; D'hooghe, Matthias","Diastereoselective synthesis of 3-acetoxy-4-(3-aryloxiran-2-yl)azetidin-2-ones and their transformation into 3,4-oxolane-fused bicyclic β-lactams.","Organic & biomolecular chemistry","2016","14","47","11279","11288","10.1039/c6ob02221a","","x-ray","1.54184","CuKα","","0.0376","0.0326","","","0.0781","0.082","","","","","","1.046","","","","has coordinates","190273","2020-10-21","18:00:00",""
"7155368","6.769","0.0004","17.4058","0.0007","26.8238","0.0009","94.767","0.003","94.714","0.004","99.371","0.004","3092.7","0.2","100","0.1","100","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C18 H17 N O4 -","- C18 H17 N O4 -","- C144 H136 N8 O32 -","8","4","","Piens, Nicola; De Craene, Sven; Franceus, Jorick; Mollet, Karen; Van Hecke, Kristof; Desmet, Tom; D'hooghe, Matthias","Diastereoselective synthesis of 3-acetoxy-4-(3-aryloxiran-2-yl)azetidin-2-ones and their transformation into 3,4-oxolane-fused bicyclic β-lactams.","Organic & biomolecular chemistry","2016","14","47","11279","11288","10.1039/c6ob02221a","","x-ray","1.54184","CuKα","","0.1012","0.0617","","","0.1417","0.1754","","","","","","1.08","","","","has coordinates","190273","2020-10-21","18:00:00",""
"7155369","18.6","0.01","9.144","0.006","23.69","0.01","90","","105.818","0.009","90","","3877","4","296","2","296","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C44 H39 N5 -","- C44 H39 N5 -","- C176 H156 N20 -","4","1","","Gan, Xiaoping; Liu, Guangjin; Chu, Mingjie; Xi, Wengang; Ren, Zili; Zhang, Xiuli; Tian, Yupeng; Zhou, Hongping","Intermolecular interactions boost aggregation induced emission in carbazole Schiff base derivatives.","Organic & biomolecular chemistry","2016","15","1","256","264","10.1039/c6ob02181f","","","0.71073","MoKα","","0.1993","0.0631","","","0.0975","0.1141","","","","","","1.136","","","","has coordinates,has disorder","191753","2020-10-21","18:00:00",""
"7155370","17.781","0.0008","15.3478","0.0009","6.0728","0.0002","90","","99.114","0.005","90","","1636.34","0.13","294.68","0.1","294.68","0.1","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C21 H22 O -","- C21 H22 O -","- C84 H88 O4 -","4","1","","Gan, Xiaoping; Liu, Guangjin; Chu, Mingjie; Xi, Wengang; Ren, Zili; Zhang, Xiuli; Tian, Yupeng; Zhou, Hongping","Intermolecular interactions boost aggregation induced emission in carbazole Schiff base derivatives.","Organic & biomolecular chemistry","2016","15","1","256","264","10.1039/c6ob02181f","","","0.71073","MoKα","","0.1235","0.0705","","","0.1524","0.1875","","","","","","1.075","","","","has coordinates,has disorder","191753","2020-10-21","18:00:00",""
"7155371","7.9273","0.0005","9.3159","0.0006","18.0174","0.0012","94.642","0.0018","93.031","0.0017","114.92","0.0015","1197.16","0.14","100","2","100","","","","","","","","","5","P -1","-P 1","2","(<i>2E</i>)-1-(2-aminophenyl)-3-(4-ethoxyphenyl)-2-propen-1-one","(<i>2E</i>)-1-(2-aminophenyl)-3-(4-ethoxyphenyl)-2-propen-1-one","","- C25 H25 N O7 S -","- C25 H25 N O7 S -","- C50 H50 N2 O14 S2 -","2","1","","Gan, Xiaoping; Liu, Guangjin; Chu, Mingjie; Xi, Wengang; Ren, Zili; Zhang, Xiuli; Tian, Yupeng; Zhou, Hongping","Intermolecular interactions boost aggregation induced emission in carbazole Schiff base derivatives.","Organic & biomolecular chemistry","2016","15","1","256","264","10.1039/c6ob02181f","","","0.71073","MoKα","","0.0579","0.0451","","","0.1295","0.1442","","","","","","1.072","","","","has coordinates,has disorder","191753","2020-10-21","18:00:00",""
"7155372","7.7546","0.0004","12.129","0.0006","9.9209","0.0006","90","","105.288","0.0014","90","","900.1","0.08","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- Cu2 F4 Fe H8 O8 P -","- Cu2 F4 Fe H8 O8 P -","- Cu8 F16 Fe4 H32 O32 P4 -","4","0.5","","Gan, Xiaoping; Liu, Guangjin; Chu, Mingjie; Xi, Wengang; Ren, Zili; Zhang, Xiuli; Tian, Yupeng; Zhou, Hongping","Intermolecular interactions boost aggregation induced emission in carbazole Schiff base derivatives.","Organic & biomolecular chemistry","2016","15","1","256","264","10.1039/c6ob02181f","","x-ray","0.71073","MoKα","","0.0189","0.0171","","","0.048","0.0489","","","","","","1.034","","","","has coordinates","191753","2020-10-21","18:00:00",""
"7155373","37.005","0.008","11.212","0.002","45.528","0.01","90","","91.208","0.003","90","","18885","7","296","2","296","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C32 H23 N3 -","- C32 H23 N3 -","- C1024 H736 N96 -","32","4","","Gan, Xiaoping; Liu, Guangjin; Chu, Mingjie; Xi, Wengang; Ren, Zili; Zhang, Xiuli; Tian, Yupeng; Zhou, Hongping","Intermolecular interactions boost aggregation induced emission in carbazole Schiff base derivatives.","Organic & biomolecular chemistry","2016","15","1","256","264","10.1039/c6ob02181f","","","0.71073","MoKα","","0.169","0.0809","","","0.2257","0.3051","","","","","","1.008","","","","has coordinates","191753","2020-10-21","18:00:00",""
"7155374","8.4926","0.0002","7.9538","0.0002","28.9887","0.0007","90","","91.1","0.001","90","","1957.78","0.08","296","2","296","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C25 H25 N3 -","- C25 H25 N3 -","- C100 H100 N12 -","4","1","","Kumar, K. Shiva; Bhaskar, Boyapally; Ramulu, Meesa Siddi; Kumar, N. Praveen; Ashfaq, Mohd Ashraf; Pal, Manojit","Metal catalyst free cyclization of 3-alkynyl substituted 2-(indol-3-yl)quinoxalines in TFA alone: a new synthesis of indolophenazines.","Organic & biomolecular chemistry","2016","15","1","82","87","10.1039/c6ob02340a","","","0.71073","MoKα","","0.0658","0.0426","","","0.1054","0.1207","","","","","","1.019","","","","has coordinates","191752","2020-10-21","18:00:00",""
"7155375","15.8218","0.0007","8.1579","0.0003","16.5439","0.0007","90","","100.532","0.002","90","","2099.39","0.15","296","2","296","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C26 H27 N3 -","- C26 H27 N3 -","- C104 H108 N12 -","4","1","","Kumar, K. Shiva; Bhaskar, Boyapally; Ramulu, Meesa Siddi; Kumar, N. Praveen; Ashfaq, Mohd Ashraf; Pal, Manojit","Metal catalyst free cyclization of 3-alkynyl substituted 2-(indol-3-yl)quinoxalines in TFA alone: a new synthesis of indolophenazines.","Organic & biomolecular chemistry","2016","15","1","82","87","10.1039/c6ob02340a","","","0.71073","MoKα","","0.0779","0.0473","","","0.1199","0.1462","","","","","","1.028","","","","has coordinates","191752","2020-10-21","18:00:00",""
"7155376","7.4821","0.0004","13.9447","0.0009","14.9797","0.0012","90","","90","","90","","1562.92","0.18","293","2","293.15","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C14 H21 N O5 -","- C14 H21 N O5 -","- C56 H84 N4 O20 -","4","1","","Zhang, Zhijiang; Liu, Bo","Total synthesis and confirmation of the revised structures of jiangrines A, C and D.","Organic & biomolecular chemistry","2016","15","1","207","212","10.1039/c6ob02379g","","x-ray","0.71073","MoKα","","0.0786","0.0523","","","0.1052","0.121","","","","","","1.056","","","","has coordinates,has disorder","191754","2020-10-21","18:00:00",""
"7155377","6.89706","0.00006","13.34116","0.00017","9.5759","0.00011","90","","94.1494","0.0009","90","","878.815","0.017","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","(R)-6-((3R,4R,5R)-3,5-dimethoxy-2,4,6-trimethylheptan-2-yl)-5,6-dihydro-2H-pyran-2-one","","- C17 H30 O4 -","- C17 H30 O4 -","- C34 H60 O8 -","2","1","","Roldán, Steven; Cardona, Adrià; Conesa, Laura; Murga, Juan; Falomir, Eva; Carda, Miguel; Marco, J. Alberto","Synthesis and biological evaluation of simplified pironetin analogues with modifications in the side chain and the lactone ring.","Organic & biomolecular chemistry","2016","15","1","220","232","10.1039/c6ob01585a","","x-ray","1.54184","CuKα","","0.0353","0.0343","","","0.0908","0.0927","","","","","","1.068","","","","has coordinates","191755","2020-10-21","18:00:00",""
"7155378","6.71157","0.00009","12.95291","0.00017","20.1272","0.0002","90","","97.8329","0.0011","90","","1733.42","0.04","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","(R)-5-((3R,4R,5R)-3,5-dimethoxy-2,4,6-trimethylheptan-2-yl)furan-2(5H)-one","","- C16 H28 O4 -","- C16 H28 O4 -","- C64 H112 O16 -","4","2","","Roldán, Steven; Cardona, Adrià; Conesa, Laura; Murga, Juan; Falomir, Eva; Carda, Miguel; Marco, J. Alberto","Synthesis and biological evaluation of simplified pironetin analogues with modifications in the side chain and the lactone ring.","Organic & biomolecular chemistry","2016","15","1","220","232","10.1039/c6ob01585a","","","1.54184","CuKα","","0.0506","0.0484","","","0.1327","0.1378","","","","","","1.045","","","","has coordinates","191755","2020-10-21","18:00:00",""
"7155379","13.6989","0.0005","7.5129","0.0002","15.8965","0.0005","90","","103.187","0.003","90","","1592.9","0.09","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","(S)-6-((3R,4R,5R)-3,5-bis((tert-butyldimethylsilyl)oxy)-2,4,6-trimethylheptan-2-yl)-5,6-dihydro-2H-pyran-2-one","","- C27 H54 O4 Si2 -","- C27 H54 O4 Si2 -","- C54 H108 O8 Si4 -","2","1","","Roldán, Steven; Cardona, Adrià; Conesa, Laura; Murga, Juan; Falomir, Eva; Carda, Miguel; Marco, J. Alberto","Synthesis and biological evaluation of simplified pironetin analogues with modifications in the side chain and the lactone ring.","Organic & biomolecular chemistry","2016","15","1","220","232","10.1039/c6ob01585a","","","1.54184","CuKα","","0.0695","0.0659","","","0.1684","0.1761","","","","","","1.067","","","","has coordinates,has disorder","191755","2020-10-21","18:00:00",""
"7155380","6.3617","0.0003","10.0016","0.0003","20.4847","0.0007","90","","90","","90","","1303.38","0.09","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","(3R,4R,5R)-2,4,6,6-tetramethyloct-7-ene-3,5-diol","","- C12 H24 O2 -","- C12 H24 O2 -","- C48 H96 O8 -","4","1","","Roldán, Steven; Cardona, Adrià; Conesa, Laura; Murga, Juan; Falomir, Eva; Carda, Miguel; Marco, J. Alberto","Synthesis and biological evaluation of simplified pironetin analogues with modifications in the side chain and the lactone ring.","Organic & biomolecular chemistry","2016","15","1","220","232","10.1039/c6ob01585a","","x-ray","1.54184","CuKα","","0.0591","0.0523","","","0.1572","0.1639","","","","","","1.195","","","","has coordinates","191755","2020-10-21","18:00:00",""
"7155381","6.35866","0.00012","9.99503","0.00017","20.4733","0.0003","90","","90","","90","","1301.18","0.04","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","(3S,4S,5S)-2,4,6,6-tetramethyloct-7-ene-3,5-diol","","- C12 H24 O2 -","- C12 H24 O2 -","- C48 H96 O8 -","4","1","","Roldán, Steven; Cardona, Adrià; Conesa, Laura; Murga, Juan; Falomir, Eva; Carda, Miguel; Marco, J. Alberto","Synthesis and biological evaluation of simplified pironetin analogues with modifications in the side chain and the lactone ring.","Organic & biomolecular chemistry","2016","15","1","220","232","10.1039/c6ob01585a","","x-ray","1.54184","CuKα","","0.0469","0.0433","","","0.1218","0.1282","","","","","","1.068","","","","has coordinates","191755","2020-10-21","18:00:00",""
"7155382","6.71457","0.00006","12.74183","0.00011","19.91482","0.00019","90","","98.6786","0.0009","90","","1684.32","0.03","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","(S)-5-((3S,4S,5S)-3,5-dimethoxy-2,4,6-trimethylheptan-2-yl)furan-2(5H)-one","","- C16 H28 O4 -","- C16 H28 O4 -","- C64 H112 O16 -","4","2","","Roldán, Steven; Cardona, Adrià; Conesa, Laura; Murga, Juan; Falomir, Eva; Carda, Miguel; Marco, J. Alberto","Synthesis and biological evaluation of simplified pironetin analogues with modifications in the side chain and the lactone ring.","Organic & biomolecular chemistry","2016","15","1","220","232","10.1039/c6ob01585a","","","1.54184","CuKα","","0.0435","0.0411","","","0.1214","0.1225","","","","","","1.129","","","","has coordinates","191755","2020-10-21","18:00:00",""
"7155383","13.67692","0.00013","7.47473","0.00008","15.84227","0.00018","90","","103.335","0.001","90","","1575.91","0.03","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","(R)-6-((3S,4S,5S)-3,5-bis((tert-butyldimethylsilyl)oxy)-2,4,6-trimethylheptan-2-yl)-5,6-dihydro-2H-pyran-2-one","","- C27 H54 O4 Si2 -","- C27 H54 O4 Si2 -","- C54 H108 O8 Si4 -","2","1","","Roldán, Steven; Cardona, Adrià; Conesa, Laura; Murga, Juan; Falomir, Eva; Carda, Miguel; Marco, J. Alberto","Synthesis and biological evaluation of simplified pironetin analogues with modifications in the side chain and the lactone ring.","Organic & biomolecular chemistry","2016","15","1","220","232","10.1039/c6ob01585a","","","1.54184","CuKα","","0.0504","0.0492","","","0.1308","0.1328","","","","","","1.027","","","","has coordinates,has disorder","191755","2020-10-21","18:00:00",""
"7155384","6.89663","0.00007","13.34364","0.00017","9.58347","0.00009","90","","94.1421","0.0009","90","","879.626","0.017","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","(S)-6-((3S,4S,5S)-3,5-dimethoxy-2,4,6-trimethylheptan-2-yl)-5,6-dihydro-2H-pyran-2-one","","- C17 H30 O4 -","- C17 H30 O4 -","- C34 H60 O8 -","2","1","","Roldán, Steven; Cardona, Adrià; Conesa, Laura; Murga, Juan; Falomir, Eva; Carda, Miguel; Marco, J. Alberto","Synthesis and biological evaluation of simplified pironetin analogues with modifications in the side chain and the lactone ring.","Organic & biomolecular chemistry","2016","15","1","220","232","10.1039/c6ob01585a","","","1.54184","CuKα","","0.0473","0.0464","","","0.1191","0.1208","","","","","","1.057","","","","has coordinates","191755","2020-10-21","18:00:00",""
"7155385","16.5936","0.0003","16.0072","0.0003","12.75162","0.00019","90","","90","","90","","3387.05","0.1","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(3S,5S,6S,7S)-5,7-bis((tert-butyldimethylsilyl)oxy)-4,4,6,8-tetramethylnon-1-en-3-yl acrylate","","- C28.15 H54.38 O4 Si2 -","- C28 H54 O4 Si2 -","- C112 H216 O16 Si8 -","4","1","","Roldán, Steven; Cardona, Adrià; Conesa, Laura; Murga, Juan; Falomir, Eva; Carda, Miguel; Marco, J. Alberto","Synthesis and biological evaluation of simplified pironetin analogues with modifications in the side chain and the lactone ring.","Organic & biomolecular chemistry","2016","15","1","220","232","10.1039/c6ob01585a","","","1.54184","CuKα","","0.1042","0.0885","","","0.255","0.2637","","","","","","1.101","","","","has coordinates","191755","2020-10-21","18:00:00",""
"7157219","7.2732","0.0009","18.924","0.002","31.436","0.004","90","","90","","90","","4326.8","0.9","200","2","200","2","","","","","","","","5","C m c e","-C 2ac 2","64","","","","- C23 H23 B N2 O2 -","- C23 H23 B N2 O2 -","- C184 H184 B8 N16 O16 -","8","0.5","","Shimomura, N.; Egawa, Y.; Miki, R.; Fujihara, T.; Ishimaru, Y.; Seki, T.","A red fluorophore comprising a borinate-containing xanthene analogue as a polyol sensor.","Organic & biomolecular chemistry","2016","14","42","10031","10036","10.1039/c6ob01695b","","","0.71073","MoKα","","0.0778","0.0655","","","0.1889","0.1962","","","","","","1.138","","","","has coordinates","234777","2020-10-21","18:00:00",""
"7220499","16.3977","0.0007","3.8099","0.0001","45.645","0.002","90","","90","","90","","2851.61","0.19","100","2","100","2","","","","","","","","3","P n a 21","P 2c -2n","33","","Vanillin","","- C8 H8 O3 -","- C8 H8 O3 -","- C128 H128 O48 -","16","4","","Kavuru, Padmini; Grebinoski, Stephanie J.; Patel, Mitulkumar A.; Wojtas, Lukasz; Chadwick, Keith","Polymorphism of vanillin revisited: the discovery and selective crystallization of a rare crystal structure","CrystEngComm","2016","18","7","1118","","10.1039/C5CE00568J","","","1.54178","CuKα","","0.0465","0.0387","","","0.0887","0.0925","","","","","","1.028","","","","has coordinates","177738","2020-10-21","18:00:00",""
"7221876","12.242","0.002","11.566","0.002","10.526","0.002","90","","93.08","0.03","90","","1488.2","0.5","295","2","295","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H11 N O2 S -","- C19 H11 N O2 S -","- C76 H44 N4 O8 S4 -","4","1","","Wan, Jie-Ping; Zhou, Youyi; Liu, Yunyun; Sheng, Shouri","Metal-free oxidative carbonylation on enaminone CC bond for the cascade synthesis of benzothiazole-containing vicinal diketones","Green Chem.","2016","18","2","402","","10.1039/C5GC01821H","","","0.71073","MoKα","","0.0543","0.0389","","","0.0961","0.1126","","","","","","1.138","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7221978","10.6016","0.0004","9.5305","0.0004","10.7702","0.0005","90","","119.312","0.004","90","","948.88","0.08","110","2","110","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","5-hydroxy-1,3-dioxan-2-one","","- C4 H6 O4 -","- C4 H6 O4 -","- C32 H48 O32 -","8","2","","Tryznowski, M.; Żołek-Tryznowska, Z.; Świderska, A.; Parzuchowski, P. G.","Synthesis, characterization and reactivity of a six-membered cyclic glycerol carbonate bearing a free hydroxyl group","Green Chem.","2016","18","3","802","","10.1039/C5GC01688F","","","0.71073","MoKα","","0.0294","0.027","","","0.0747","0.0756","","","","","","1.07","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7222111","9.384","0.002","10.484","0.002","11.281","0.002","102.829","0.017","94.191","0.018","113.456","0.018","976.4","0.4","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","","","- C18 H31 N O4 -","- C18 H31 N O4 -","- C36 H62 N2 O8 -","2","1","","Maleki, Abbas; Nematollahi, Davood; Rasouli, Fereshteh; Zeinodini-Meimand, Azam","Electrode instead of catalyst and enzyme. A greener protocol for the synthesis of new 2-hydroxyacetamide derivatives containing a γ-lactone ring","Green Chem.","2016","18","3","672","","10.1039/C5GC01863C","","","0.71073","MoKα","","0.1106","0.0744","","","0.188","0.2092","","","","","","1.127","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7222916","8.5224","0.0004","10.305","0.0005","9.1442","0.0004","90","","90.3404","0.0011","90","","803.06","0.06","120","2","120","","","","","","","","","5","P 1 21 1","P 2yb","4","","(S)-methyl 3-fluoro-2-oxopiperidine-3-carboxylate","","- C7 H10 F N O3 -","- C7 H10 F N O3 -","- C28 H40 F4 N4 O12 -","4","2","","Willis, Nicky J.; Fisher, Craig A.; Alder, Catherine M.; Harsanyi, Antal; Shukla, Lena; Adams, Joseph P.; Sandford, Graham","Sustainable synthesis of enantiopure fluorolactam derivatives by a selective direct fluorination – amidase strategy","Green Chem.","2016","18","5","1313","","10.1039/C5GC02209F","","x-ray","1.54178","CuKα","","0.0547","0.0547","","","0.152","0.152","","","","","","1.005","","","","has coordinates","288501","2023-12-22","13:20:51",""
"7222917","8.5211","0.0003","10.3039","0.0003","9.1547","0.0003","90","","90.365","0.0008","90","","803.77","0.05","120","0.2","120","","","","","","","","","5","P 1 21 1","P 2yb","4","","(R)-methyl 3-fluoro-2-oxopiperidine-3-carboxylate","","- C7 H10 F N O3 -","- C7 H10 F N O3 -","- C28 H40 F4 N4 O12 -","4","2","","Willis, Nicky J.; Fisher, Craig A.; Alder, Catherine M.; Harsanyi, Antal; Shukla, Lena; Adams, Joseph P.; Sandford, Graham","Sustainable synthesis of enantiopure fluorolactam derivatives by a selective direct fluorination – amidase strategy","Green Chem.","2016","18","5","1313","","10.1039/C5GC02209F","","x-ray","1.54178","CuKα","","0.0515","0.0513","","","0.1451","0.1455","","","","","","1.103","","","","has coordinates","288501","2023-12-22","13:20:52",""
"7222918","5.821","0.0004","6.4875","0.0005","15.7485","0.0012","100.738","0.007","96.625","0.006","94.612","0.006","577.23","0.08","120","","120","","","","","","","","","6","P -1","-P 1","2","","dimethyl (2-aminopropyl)fluoromalonate hydrochloride","","- C8 H15 Cl F N O4 -","- C8 H15 Cl F N O4 -","- C16 H30 Cl2 F2 N2 O8 -","2","1","","Willis, Nicky J.; Fisher, Craig A.; Alder, Catherine M.; Harsanyi, Antal; Shukla, Lena; Adams, Joseph P.; Sandford, Graham","Sustainable synthesis of enantiopure fluorolactam derivatives by a selective direct fluorination – amidase strategy","Green Chem.","2016","18","5","1313","","10.1039/C5GC02209F","","x-ray","0.71073","MoKα","","0.0626","0.0521","","","0.124","0.1289","","","","","","1.165","","","","has coordinates","288501","2023-12-22","13:20:52",""
"7222919","12.256","0.0004","6.72544","0.00017","10.4787","0.0004","90","","113.193","0.004","90","","793.92","0.05","120","","120","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(rac)-methyl 3-fluoro-2-oxopiperidine-3-carboxylate","","- C7 H10 F N O3 -","- C7 H10 F N O3 -","- C28 H40 F4 N4 O12 -","4","1","","Willis, Nicky J.; Fisher, Craig A.; Alder, Catherine M.; Harsanyi, Antal; Shukla, Lena; Adams, Joseph P.; Sandford, Graham","Sustainable synthesis of enantiopure fluorolactam derivatives by a selective direct fluorination – amidase strategy","Green Chem.","2016","18","5","1313","","10.1039/C5GC02209F","","","0.71073","MoKα","","0.041","0.0346","","","0.0902","0.0942","","","","","","1.028","","","","has coordinates","288501","2023-12-22","13:20:52",""
"7222920","12.235","0.0007","11.3068","0.0007","7.6415","0.0004","90","","100.289","0.0017","90","","1040.12","0.1","120","","120","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C7 H13 Cl F N O4 -","- C7 H13 Cl F N O4 -","- C28 H52 Cl4 F4 N4 O16 -","4","1","","Willis, Nicky J.; Fisher, Craig A.; Alder, Catherine M.; Harsanyi, Antal; Shukla, Lena; Adams, Joseph P.; Sandford, Graham","Sustainable synthesis of enantiopure fluorolactam derivatives by a selective direct fluorination – amidase strategy","Green Chem.","2016","18","5","1313","","10.1039/C5GC02209F","","x-ray","0.71073","MoKα","","0.0384","0.0341","","","0.0846","0.0873","","","","","","1.097","","","","has coordinates","288501","2023-12-22","13:20:52",""
"7222921","6.5648","0.0007","6.6759","0.0007","9.6206","0.001","98.163","0.003","100.929","0.003","101.047","0.003","399.3","0.07","120","","120","","","","","","","","","5","P -1","-P 1","2","","methyl 3-fluoro-2-oxo-3-pyrrolidinecarboxylate","","- C6 H10 F N O4 -","- C6 H10 F N O4 -","- C12 H20 F2 N2 O8 -","2","1","","Willis, Nicky J.; Fisher, Craig A.; Alder, Catherine M.; Harsanyi, Antal; Shukla, Lena; Adams, Joseph P.; Sandford, Graham","Sustainable synthesis of enantiopure fluorolactam derivatives by a selective direct fluorination – amidase strategy","Green Chem.","2016","18","5","1313","","10.1039/C5GC02209F","","x-ray","0.71073","MoKα","","0.0671","0.0548","","","0.1404","0.1501","","","","","","1.012","","","","has coordinates","288501","2023-12-22","13:20:52",""
"7223177","13.519","0.002","9.896","0.0017","14.609","0.002","90","","112.259","0.003","90","","1808.8","0.5","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C18 H16 N6 O6 Zn -","- C18 H16 N6 O6 Zn -","- C72 H64 N24 O24 Zn4 -","4","0.5","","Yang, Li-Bo; Wang, Hong-Can; Fang, Xiao-Dan; Chen, Si-Jin; Xu, Quan-Qing; Zhu, Ai-Xin; Yang, Zhi","A series of Zn(ii) and Cd(ii) coordination compounds based on 4-(4H-1,2,4-triazol-4-yl)benzoic acid: synthesis, structure and photoluminescence properties","CrystEngComm","2016","18","1","130","","10.1039/C5CE01815C","","","0.71073","MoKα","","0.0514","0.0432","","","0.114","0.121","","","","","","1.123","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7223178","9.097","0.003","17.622","0.005","7.464","0.002","90","","92.337","0.006","90","","1195.5","0.6","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C10 H10 Cl N3 O3 Zn -","- C10 H10 Cl N3 O3 Zn -","- C40 H40 Cl4 N12 O12 Zn4 -","4","1","","Yang, Li-Bo; Wang, Hong-Can; Fang, Xiao-Dan; Chen, Si-Jin; Xu, Quan-Qing; Zhu, Ai-Xin; Yang, Zhi","A series of Zn(ii) and Cd(ii) coordination compounds based on 4-(4H-1,2,4-triazol-4-yl)benzoic acid: synthesis, structure and photoluminescence properties","CrystEngComm","2016","18","1","130","","10.1039/C5CE01815C","","","0.71073","MoKα","","0.063","0.0505","","","0.1259","0.1316","","","","","","1.116","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7223179","13.664","0.002","7.8616","0.0013","8.2311","0.0014","90","","91.4","0.003","90","","883.9","0.2","293","2","293","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C18 H12 N6 O4 Zn -","- C18 H12 N6 O4 Zn -","- C36 H24 N12 O8 Zn2 -","2","0.5","","Yang, Li-Bo; Wang, Hong-Can; Fang, Xiao-Dan; Chen, Si-Jin; Xu, Quan-Qing; Zhu, Ai-Xin; Yang, Zhi","A series of Zn(ii) and Cd(ii) coordination compounds based on 4-(4H-1,2,4-triazol-4-yl)benzoic acid: synthesis, structure and photoluminescence properties","CrystEngComm","2016","18","1","130","","10.1039/C5CE01815C","","","0.71073","MoKα","","0.0406","0.039","","","0.0747","0.0755","","","","","","1.012","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7223180","8.3848","0.0017","14.808","0.003","11.494","0.002","90","","90","","90","","1427.1","0.5","293","2","293","2","","","","","","","","5","P n c 2","P 2 -2bc","30","","","","- C21 H26.2 Cd N7 O8.6 -","- C18 H12 Cd N6 O4 -","- C36 H24 Cd2 N12 O8 -","2","0.5","","Yang, Li-Bo; Wang, Hong-Can; Fang, Xiao-Dan; Chen, Si-Jin; Xu, Quan-Qing; Zhu, Ai-Xin; Yang, Zhi","A series of Zn(ii) and Cd(ii) coordination compounds based on 4-(4H-1,2,4-triazol-4-yl)benzoic acid: synthesis, structure and photoluminescence properties","CrystEngComm","2016","18","1","130","","10.1039/C5CE01815C","","","0.71073","MoKα","","0.0312","0.0284","","","0.0763","0.0779","","","","","","1.074","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7223181","16.68","0.003","32.764","0.007","6.5537","0.0013","90","","90","","90","","3581.6","1.2","293","2","293","2","","","","","","","","5","F d d 2","F 2 -2d","43","","","","- C18 H12 Cd N6 O4 -","- C18 H12 Cd N6 O4 -","- C144 H96 Cd8 N48 O32 -","8","0.5","","Yang, Li-Bo; Wang, Hong-Can; Fang, Xiao-Dan; Chen, Si-Jin; Xu, Quan-Qing; Zhu, Ai-Xin; Yang, Zhi","A series of Zn(ii) and Cd(ii) coordination compounds based on 4-(4H-1,2,4-triazol-4-yl)benzoic acid: synthesis, structure and photoluminescence properties","CrystEngComm","2016","18","1","130","","10.1039/C5CE01815C","","","0.71073","MoKα","","0.0197","0.0176","","","0.0406","0.0522","","","","","","1.199","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7223182","12.946","0.003","17.321","0.003","22.153","0.004","70.13","0.03","76.08","0.03","73.31","0.03","4418.3","1.8","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C58.5 H54.5 Cd5 Cl4 N19.5 O17.5 -","- C58.5 H46.5 Cd5 Cl4 N19.5 O17.5 -","- C117 H93 Cd10 Cl8 N39 O35 -","2","1","","Yang, Li-Bo; Wang, Hong-Can; Fang, Xiao-Dan; Chen, Si-Jin; Xu, Quan-Qing; Zhu, Ai-Xin; Yang, Zhi","A series of Zn(ii) and Cd(ii) coordination compounds based on 4-(4H-1,2,4-triazol-4-yl)benzoic acid: synthesis, structure and photoluminescence properties","CrystEngComm","2016","18","1","130","","10.1039/C5CE01815C","","","0.71073","MoKα","","0.0722","0.0545","","","0.1593","0.17","","","","","","1.02","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7223183","20.0621","0.0018","15.593","0.0014","17.2349","0.0015","90","","90","","90","","5391.6","0.8","293","2","293","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C22 H28 N7 O8.5 Zn -","- C18 H12 N6 O4 Zn -","- C144 H96 N48 O32 Zn8 -","8","1","","Yang, Li-Bo; Wang, Hong-Can; Fang, Xiao-Dan; Chen, Si-Jin; Xu, Quan-Qing; Zhu, Ai-Xin; Yang, Zhi","A series of Zn(ii) and Cd(ii) coordination compounds based on 4-(4H-1,2,4-triazol-4-yl)benzoic acid: synthesis, structure and photoluminescence properties","CrystEngComm","2016","18","1","130","","10.1039/C5CE01815C","","","0.71073","MoKα","","0.06","0.0441","","","0.1076","0.1143","","","","","","1.012","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7223199","14.916","0.007","14.964","0.007","15.309","0.007","64.365","0.008","89.997","0.008","62.904","0.009","2659","2","173","2","173","2","","","","","","","6-Chloro-purin-2-amine","4","P -1","-P 1","2","pr_GCl","6-Chloro-9-propyl-purin-2-amine","","- C8 H10 Cl N5 -","- C8 H10 Cl N5 -","- C64 H80 Cl8 N40 -","8","4","","Jang, Yoona; Yoo, Seo Yeon; Gu, Hye Rin; Lee, Yu Jin; Cha, Young Shin; You, Laekyeong; Noh, Kyungkyou; Kim, Jaheon","Hydrogen-bonding networks of purine derivatives and their bilayers for guest intercalation","CrystEngComm","2016","18","1","62","","10.1039/C5CE01611H","","","0.71075","MoKα","","0.1766","0.0989","","","0.2552","0.3053","","","","","","0.865","","","","has coordinates","175981","2020-10-21","18:00:00",""
"7223200","15.078","0.003","15.132","0.003","21.864","0.004","81.61","0.03","80.08","0.03","89.95","0.03","4859.8","1.7","296","2","296","2","","","","","","","6-Chloro-purin-2-amine","4","P -1","-P 1","2","pt_GCl","6-Chloro-9-penyl-purin-2-amine","","- C20 H28 Cl2 N10 -","- C20 H28 Cl2 N10 -","- C160 H224 Cl16 N80 -","8","4","","Jang, Yoona; Yoo, Seo Yeon; Gu, Hye Rin; Lee, Yu Jin; Cha, Young Shin; You, Laekyeong; Noh, Kyungkyou; Kim, Jaheon","Hydrogen-bonding networks of purine derivatives and their bilayers for guest intercalation","CrystEngComm","2016","18","1","62","","10.1039/C5CE01611H","","","0.71075","MoKα","","0.2303","0.1411","","","0.3251","0.3679","","","","","","0.992","","","","has coordinates","175981","2020-10-21","18:00:00",""
"7223201","15.022","0.003","44.14","0.009","15.211","0.003","90","","90","","90","","10086","3","173","2","173","2","","","","","","","6-Chloro-purin-2-amine","4","C c c a :2","-C 2a 2ac","68","xylene_pr_GCl","p-xylene with 6-Chloro-9-propyl-purin-2-amine","","- C24 H30 Cl2 N10 -","- C24 H30 Cl2 N10 -","- C384 H480 Cl32 N160 -","16","1","","Jang, Yoona; Yoo, Seo Yeon; Gu, Hye Rin; Lee, Yu Jin; Cha, Young Shin; You, Laekyeong; Noh, Kyungkyou; Kim, Jaheon","Hydrogen-bonding networks of purine derivatives and their bilayers for guest intercalation","CrystEngComm","2016","18","1","62","","10.1039/C5CE01611H","","","0.71","synchrotron","","0.3296","0.2602","","","0.5974","0.6304","","","","","","2.24","","","","has coordinates,has disorder","208235","2020-10-21","18:00:00",""
"7223202","14.6261","0.0006","23.2526","0.0009","15.7357","0.0007","90","","107.099","0.002","90","","5115.1","0.4","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Cd-TCA-DMF","","","- C88 H72 Cd5 N6 O28 -","- C88 H72 Cd5 N6 O28 -","- C176 H144 Cd10 N12 O56 -","2","0.5","","Qiao, Chengfang; Qu, Xiaoni; Yang, Qi; Wei, Qing; Xie, Gang; Chen, Sanping; Yang, Desuo","Instant high-selectivity Cd-MOF chemosensor for naked-eye detection of Cu(ii) confirmed using in situ microcalorimetry","Green Chem.","2016","18","4","951","","10.1039/C5GC02393A","","","0.71073","MoKα","","0.0598","0.0487","","","0.1587","0.1717","","","","","","1.074","","","","has coordinates","177879","2020-10-21","18:00:00",""
"7223203","14.5196","0.0009","23.367","0.0014","15.6042","0.0009","90","","107.475","0.001","90","","5049.8","0.5","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Cd-TCA-DEF","","","- C96 H82 Cd5 N8 O28 -","- C96 H82 Cd5 N8 O28 -","- C192 H164 Cd10 N16 O56 -","2","0.5","","Qiao, Chengfang; Qu, Xiaoni; Yang, Qi; Wei, Qing; Xie, Gang; Chen, Sanping; Yang, Desuo","Instant high-selectivity Cd-MOF chemosensor for naked-eye detection of Cu(ii) confirmed using in situ microcalorimetry","Green Chem.","2016","18","4","951","","10.1039/C5GC02393A","","","0.71073","MoKα","","0.0587","0.0455","","","0.1473","0.1603","","","","","","1.083","","","","has coordinates","177879","2020-10-21","18:00:00",""
"7223204","14.3997","0.0019","23.362","0.003","15.543","0.003","90","","106.309","0.009","90","","5018.4","1.4","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","CuCd-TCA-DMF","","","- C88 H72 Cd3 Cu2 N6 O27 -","- C88 H64 Cd3 Cu2 N6 O27 -","- C176 H128 Cd6 Cu4 N12 O54 -","2","0.5","","Qiao, Chengfang; Qu, Xiaoni; Yang, Qi; Wei, Qing; Xie, Gang; Chen, Sanping; Yang, Desuo","Instant high-selectivity Cd-MOF chemosensor for naked-eye detection of Cu(ii) confirmed using in situ microcalorimetry","Green Chem.","2016","18","4","951","","10.1039/C5GC02393A","","","0.71073","MoKα","","0.2185","0.1079","","","0.2595","0.2908","","","","","","1.318","","","","has coordinates","177879","2020-10-21","18:00:00",""
"7223205","14.583","0.0013","23.241","0.002","15.6338","0.0014","90","","106.99","0.002","90","","5067.4","0.8","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","1-CH3OH","","- C90 H76 Cd5 N6 O28 -","- C90 H76 Cd5 N6 O28 -","- C180 H152 Cd10 N12 O56 -","2","0.5","","Qiao, Chengfang; Qu, Xiaoni; Yang, Qi; Wei, Qing; Xie, Gang; Chen, Sanping; Yang, Desuo","Instant high-selectivity Cd-MOF chemosensor for naked-eye detection of Cu(ii) confirmed using in situ microcalorimetry","Green Chem.","2016","18","4","951","","10.1039/C5GC02393A","","","0.71073","MoKα","","0.0801","0.0563","","","0.1619","0.1818","","","","","","1.071","","","","has coordinates","177879","2020-10-21","18:00:00",""
"7223238","27.631","0.0019","29.08","0.003","13.136","0.001","90","","90","","90","","10554.9","1.5","110","2","110","2","","","","","","","","7","I m m a","-I 2b 2","74","","","","- C52 H30 Gd2 N4 Na2 O21 Zn -","- C52 H30 Gd2 N4 Na2 O21 Zn -","- C208 H120 Gd8 N16 Na8 O84 Zn4 -","4","0.25","","Tripuramallu, Bharat Kumar; Titi, Hatem M.; Roy, Sadipan; Verma, Roli; Goldberg, Israel","Ameliorated synthetic methodology for crystalline lanthanoid‒metalloporphyrin open frameworks based on a multitopic octacarboxy-porphyrin scaffold: structural, gas sorption and photophysical properties","CrystEngComm","2016","18","4","515","","10.1039/C5CE02048D","","","0.71073","MoKα","","0.0866","0.0646","","","0.1841","0.1959","","","","","","0.966","","","","has coordinates","175945","2020-10-21","18:00:00",""
"7223239","27.108","0.004","29.418","0.003","12.9723","0.0018","90","","90","","90","","10345","2","110","2","110","2","","","","","","","","7","I m m a","-I 2b 2","74","","","","- C52 H30 N4 Na2 O21 Sm2 Zn -","- C52 H30 N4 Na2 O21 Sm2 Zn -","- C208 H120 N16 Na8 O84 Sm8 Zn4 -","4","0.25","","Tripuramallu, Bharat Kumar; Titi, Hatem M.; Roy, Sadipan; Verma, Roli; Goldberg, Israel","Ameliorated synthetic methodology for crystalline lanthanoid‒metalloporphyrin open frameworks based on a multitopic octacarboxy-porphyrin scaffold: structural, gas sorption and photophysical properties","CrystEngComm","2016","18","4","515","","10.1039/C5CE02048D","","","0.71073","MoKα","","0.1598","0.0736","","","0.1671","0.1791","","","","","","1.009","","","","has coordinates","175945","2020-10-21","18:00:00",""
"7223240","27.1337","0.0011","29.2422","0.0014","13.0757","0.0007","90","","90","","90","","10374.9","0.9","110","2","110","2","","","","","","","","7","I m m a","-I 2b 2","74","","","","- C52 H29 Dy2 N4 Na2 O21 Zn -","- C52 H29 Dy2 N4 Na2 O21 Zn -","- C208 H116 Dy8 N16 Na8 O84 Zn4 -","4","0.25","","Tripuramallu, Bharat Kumar; Titi, Hatem M.; Roy, Sadipan; Verma, Roli; Goldberg, Israel","Ameliorated synthetic methodology for crystalline lanthanoid‒metalloporphyrin open frameworks based on a multitopic octacarboxy-porphyrin scaffold: structural, gas sorption and photophysical properties","CrystEngComm","2016","18","4","515","","10.1039/C5CE02048D","","","0.71073","MoKα","","0.06","0.0523","","","0.1465","0.1497","","","","","","1.124","","","","has coordinates","175945","2020-10-21","18:00:00",""
"7223241","27.4347","0.0011","28.9058","0.0012","13.1157","0.0007","90","","90","","90","","10401","0.8","110","2","110","2","","","","","","","","7","I m m a","-I 2b 2","74","","","","- C52 H34 Eu2 N4 Na2 O21 Zn -","- C52 H34 Eu2 N4 Na2 O21 Zn -","- C208 H136 Eu8 N16 Na8 O84 Zn4 -","4","0.25","","Tripuramallu, Bharat Kumar; Titi, Hatem M.; Roy, Sadipan; Verma, Roli; Goldberg, Israel","Ameliorated synthetic methodology for crystalline lanthanoid‒metalloporphyrin open frameworks based on a multitopic octacarboxy-porphyrin scaffold: structural, gas sorption and photophysical properties","CrystEngComm","2016","18","4","515","","10.1039/C5CE02048D","","","0.71073","MoKα","","0.1227","0.1036","","","0.2823","0.2903","","","","","","1.098","","","","has coordinates","175945","2020-10-21","18:00:00",""
"7223242","18.568","0.007","18.0282","0.0019","9.4188","0.0014","90","","90.35","0.03","90","","3152.9","1.3","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","K2MgTh3(MoO4)8","","- K2 Mg Mo8 O32 Th3 -","- K2 Mg Mo8 O32 Th3 -","- K8 Mg4 Mo32 O128 Th12 -","4","0.5","","Xiao, Bin; Schlenz, Hartmut; Bosbach, Dirk; Suleimanov, Evgeny V.; Alekseev, Evgeny V.","The structural effects of alkaline- and rare-earth element incorporation into thorium molybdates","CrystEngComm","2016","18","1","113","","10.1039/C5CE02040A","","","0.71073","MoKα","","0.0222","0.02","","","0.0426","0.0434","","","","","","1.059","","","","has coordinates","175973","2020-10-21","18:00:00",""
"7223243","8.0197","0.001","8.447","0.0017","16.03","0.002","101.55","0.015","102.893","0.012","97.388","0.013","1019.9","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","K2SrTh2(MoO4)6","","- K2 Mo6 O24 Sr Th2 -","- K2 Mo6 O24 Sr Th2 -","- K4 Mo12 O48 Sr2 Th4 -","2","1","","Xiao, Bin; Schlenz, Hartmut; Bosbach, Dirk; Suleimanov, Evgeny V.; Alekseev, Evgeny V.","The structural effects of alkaline- and rare-earth element incorporation into thorium molybdates","CrystEngComm","2016","18","1","113","","10.1039/C5CE02040A","","","0.71073","MoKα","","0.0893","0.0526","","","0.1129","0.13","","","","","","1.027","","","","has coordinates","175973","2020-10-21","18:00:00",""
"7223244","17.556","0.003","17.556","0.003","6.2713","0.001","90","","90","","120","","1673.9","0.5","293","2","293","2","","","","","","","","4","P 63/m","-P 6c","176","","","","- Mo18 Nd4 O72 Th6 -","- Mo18 Nd4.076 O72 Th6 -","- Mo18 Nd4.076 O72 Th6 -","1","0.0833333","","Xiao, Bin; Schlenz, Hartmut; Bosbach, Dirk; Suleimanov, Evgeny V.; Alekseev, Evgeny V.","The structural effects of alkaline- and rare-earth element incorporation into thorium molybdates","CrystEngComm","2016","18","1","113","","10.1039/C5CE02040A","","","0.71073","MoKα","","0.0914","0.0414","","","0.1117","0.1435","","","","","","1.14","","","","has coordinates","175973","2020-10-21","18:00:00",""
"7223245","18.6792","0.0004","18.0812","0.0005","9.4616","0.0003","90","","90.23","0.002","90","","3195.56","0.15","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Rb2MgTh3(MoO4)8","","- Mg Mo8 O32 Rb2 Th3 -","- Mg Mo8 O32 Rb2 Th3 -","- Mg4 Mo32 O128 Rb8 Th12 -","4","0.5","","Xiao, Bin; Schlenz, Hartmut; Bosbach, Dirk; Suleimanov, Evgeny V.; Alekseev, Evgeny V.","The structural effects of alkaline- and rare-earth element incorporation into thorium molybdates","CrystEngComm","2016","18","1","113","","10.1039/C5CE02040A","","","0.71073","MoKα","","0.0482","0.0342","","","0.0559","0.0611","","","","","","0.996","","","","has coordinates","175973","2020-10-21","18:00:00",""
"7223246","13.3916","0.0002","12.6857","0.0002","23.5448","0.0004","90","","90","","90","","3999.83","0.11","298","2","298","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C20 H19 Cd N3 O6 -","- C20 H19 Cd N3 O6 -","- C160 H152 Cd8 N24 O48 -","8","1","","Bhattacharya, Biswajit; Halder, Arijit; Maity, Dilip Kumar; Ghoshal, Debajyoti","Dynamic metal‒organic frameworks: syntheses, characterizations, sorption studies and their hydrolytic inter-conversion","CrystEngComm","2016","18","22","4074","","10.1039/C5CE01952D","","","0.71073","MoKα","","0.0316","0.0225","","","0.0523","0.057","","","","","","1.037","","","","has coordinates","185172","2020-10-21","18:00:00",""
"7223247","22.4577","0.0011","11.3406","0.0005","12.0773","0.0005","90","","113.556","0.003","90","","2819.6","0.2","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C13 H10 Cd N2 O6 -","- C13 H10 Cd N2 O6 -","- C104 H80 Cd8 N16 O48 -","8","1","","Bhattacharya, Biswajit; Halder, Arijit; Maity, Dilip Kumar; Ghoshal, Debajyoti","Dynamic metal‒organic frameworks: syntheses, characterizations, sorption studies and their hydrolytic inter-conversion","CrystEngComm","2016","18","22","4074","","10.1039/C5CE01952D","","","0.71073","MoKα","","0.0266","0.0242","","","0.0613","0.0627","","","","","","1.077","","","","has coordinates,has disorder","185172","2020-10-21","18:00:00",""
"7223248","19.13","0.03","26.34","0.04","11.628","0.017","90","","90.671","0.018","90","","5859","15","113","2","113","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H16 N4 O8 Zn -","- C26 H16 N4 O8 Zn -","- C104 H64 N16 O32 Zn4 -","4","1","","Gong, Le Le; Feng, Xue Feng; Luo, Feng; Yi, Xian Feng; Zheng, An Min","Removal and safe reuse of highly toxic allyl alcohol using a highly selective photo-sensitive metal‒organic framework","Green Chem.","2016","18","7","2047","","10.1039/C5GC02182K","","","0.71073","MoKα","","0.1668","0.1219","","","0.3075","0.3337","","","","","","1.021","","","","has coordinates","181748","2020-10-21","18:00:00",""
"7223249","8.8542","0.0003","12.9976","0.0004","14.0901","0.0005","100.076","0.001","90.969","0.001","92.406","0.001","1594.63","0.09","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","1, 3-Bis(2-diphenylphosphino-3-methylimidazolyl)benzene","","- C36 H28 N4 P2 -","- C36 H28 N4 P2 -","- C72 H56 N8 P4 -","2","1","","Li, Yong-Qi; Wang, Peng; Liu, Huan; Lu, Yong; Zhao, Xiao-Li; Liu, Ye","Co-catalysis of a bi-functional ligand containing phosphine and Lewis acidic phosphonium for hydroformylation‒acetalization of olefins","Green Chem.","2016","18","6","1798","","10.1039/C5GC02127H","","","0.71073","MoKα","","0.0629","0.0478","","","0.1334","0.1432","","","","","","1.063","","","","has coordinates","181750","2020-10-21","18:00:00",""
"7223250","14.0858","0.0011","14.4866","0.0011","15.7112","0.0012","67.615","0.002","78.55","0.002","62.44","0.002","2627","0.4","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","1,3-Bis(1-methyl-2-diphenylphosphino-3-methylimidazolium)benzene triflate","","- C40 H34 F6 N4 O6 P2 S2 -","- C40 H34 F6 N4 O6 P2 S2 -","- C80 H68 F12 N8 O12 P4 S4 -","2","1","","Li, Yong-Qi; Wang, Peng; Liu, Huan; Lu, Yong; Zhao, Xiao-Li; Liu, Ye","Co-catalysis of a bi-functional ligand containing phosphine and Lewis acidic phosphonium for hydroformylation‒acetalization of olefins","Green Chem.","2016","18","6","1798","","10.1039/C5GC02127H","","","0.71073","MoKα","","0.0763","0.0615","","","0.1803","0.1903","","","","","","1.109","","","","has coordinates","181750","2020-10-21","18:00:00",""
"7223251","9.5438","0.0007","39.836","0.003","10.6814","0.0011","90","","116.464","0.003","90","","3635.4","0.5","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C38 H33 Cl2 I N4 P2 -","- C38 H33 Cl2 I N4 P2 -","- C152 H132 Cl8 I4 N16 P8 -","4","1","","Li, Yong-Qi; Wang, Peng; Liu, Huan; Lu, Yong; Zhao, Xiao-Li; Liu, Ye","Co-catalysis of a bi-functional ligand containing phosphine and Lewis acidic phosphonium for hydroformylation‒acetalization of olefins","Green Chem.","2016","18","6","1798","","10.1039/C5GC02127H","","","0.71073","MoKα","","0.1053","0.0564","","","0.1048","0.1233","","","","","","1.049","","","","has coordinates","181750","2020-10-21","18:00:00",""
"7223263","37.526","0.008","8.8468","0.0018","29.72","0.006","90","","127.61","0.03","90","","7816","4","153","2","153","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C53 H110 N12 Ni2 O29 -","- C53 H104 N12 Ni2 O29 -","- C212 H416 N48 Ni8 O116 -","4","0.5","","Jiang, Xiang; Hu, Kong-Qiu; Kou, Hui-Zhong","Tunable gas adsorption properties of porous coordination polymers by modification of macrocyclic metallic tectons","CrystEngComm","2016","18","22","4084","","10.1039/C5CE01577D","","","0.71073","MoKα","","0.0736","0.0668","","","0.1905","0.1966","","","","","","1.158","","","","has coordinates","185168","2020-10-21","18:00:00",""
"7223264","37.153","0.003","8.9381","0.0008","29.414","0.003","90","","127.964","0.002","90","","7700.8","1.2","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C57 H110 N12 Ni2 O29 -","- C57 H104 N12 Ni2 O29 -","- C228 H416 N48 Ni8 O116 -","4","0.5","","Jiang, Xiang; Hu, Kong-Qiu; Kou, Hui-Zhong","Tunable gas adsorption properties of porous coordination polymers by modification of macrocyclic metallic tectons","CrystEngComm","2016","18","22","4084","","10.1039/C5CE01577D","","","0.71073","MoKα","","0.1148","0.0674","","","0.1753","0.2088","","","","","","0.998","","","","has coordinates","185168","2020-10-21","18:00:00",""
"7223265","37.352","0.004","8.834","0.001","29.562","0.003","90","","126.838","0.002","90","","7806.9","1.5","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C61 H120 N12 Ni2 O30 -","- C61 H112 N12 Ni2 O30 -","- C244 H448 N48 Ni8 O120 -","4","0.5","","Jiang, Xiang; Hu, Kong-Qiu; Kou, Hui-Zhong","Tunable gas adsorption properties of porous coordination polymers by modification of macrocyclic metallic tectons","CrystEngComm","2016","18","22","4084","","10.1039/C5CE01577D","","","0.71073","MoKα","","0.1384","0.0619","","","0.1278","0.161","","","","","","0.976","","","","has coordinates","185168","2020-10-21","18:00:00",""
"7223266","11.579","0.002","25.062","0.005","31.421","0.006","90","","90","","90","","9118","3","153","2","153","2","","","","","","","","5","P n n a","-P 2a 2bc","52","","","","- C69 H124 N16 Ni2 O26 -","- C57 H76 N12 Ni2 O12 -","- C228 H304 N48 Ni8 O48 -","4","0.5","","Jiang, Xiang; Hu, Kong-Qiu; Kou, Hui-Zhong","Tunable gas adsorption properties of porous coordination polymers by modification of macrocyclic metallic tectons","CrystEngComm","2016","18","22","4084","","10.1039/C5CE01577D","","","0.71073","MoKα","","0.0757","0.0704","","","0.1926","0.1963","","","","","","1.164","","","","has coordinates","185168","2020-10-21","18:00:00",""
"7223267","11.7659","0.0007","25.7333","0.0015","31.1417","0.0019","90","","90","","90","","9428.9","1","173","2","173","2","","","","","","","","5","P n n a","-P 2a 2bc","52","","","","- C71 H126 N16 Ni2 O25 -","- C59 H80 N12 Ni2 O12 -","- C236 H320 N48 Ni8 O48 -","4","0.5","","Jiang, Xiang; Hu, Kong-Qiu; Kou, Hui-Zhong","Tunable gas adsorption properties of porous coordination polymers by modification of macrocyclic metallic tectons","CrystEngComm","2016","18","22","4084","","10.1039/C5CE01577D","","","0.71073","MoKα","","0.1565","0.0655","","","0.1803","0.197","","","","","","1.039","","","","has coordinates","185168","2020-10-21","18:00:00",""
"7223268","11.817","0.002","24.76","0.005","32.256","0.007","90","","90","","90","","9438","3","153","2","153","2","","","","","","","","5","P n n a","-P 2a 2bc","52","","","","- C61 H124 N12 Ni2 O32 -","- C61 H84 N12 Ni2 O12 -","- C244 H336 N48 Ni8 O48 -","4","0.5","","Jiang, Xiang; Hu, Kong-Qiu; Kou, Hui-Zhong","Tunable gas adsorption properties of porous coordination polymers by modification of macrocyclic metallic tectons","CrystEngComm","2016","18","22","4084","","10.1039/C5CE01577D","","","0.71073","MoKα","","0.1482","0.1202","","","0.3256","0.3528","","","","","","0.962","","","","has coordinates","185168","2020-10-21","18:00:00",""
"7223269","12.0122","0.0008","25.023","0.0018","31.873","0.003","90","","90","","90","","9580.4","1.3","173","2","173","2","","","","","","","","5","P n n a","-P 2a 2bc","52","","","","- C63 H124 N12 Ni2 O30 -","- C63 H88 N12 Ni2 O12 -","- C252 H352 N48 Ni8 O48 -","4","0.5","","Jiang, Xiang; Hu, Kong-Qiu; Kou, Hui-Zhong","Tunable gas adsorption properties of porous coordination polymers by modification of macrocyclic metallic tectons","CrystEngComm","2016","18","22","4084","","10.1039/C5CE01577D","","","0.71073","MoKα","","0.129","0.0794","","","0.2384","0.2592","","","","","","0.997","","","","has coordinates","185168","2020-10-21","18:00:00",""
"7223270","18.7966","0.0007","18.7966","0.0007","21.2715","0.0018","90","","90","","90","","7515.5","0.7","173","2","173","2","","","","","","","","5","I 41/a","-I 4ad","88","","","","- C65 H108 N12 Ni2 O16 -","- C65 H108 N12 Ni2 O16 -","- C260 H432 N48 Ni8 O64 -","4","","","Jiang, Xiang; Hu, Kong-Qiu; Kou, Hui-Zhong","Tunable gas adsorption properties of porous coordination polymers by modification of macrocyclic metallic tectons","CrystEngComm","2016","18","22","4084","","10.1039/C5CE01577D","","","0.71073","MoKα","","0.0929","0.0502","","","0.1192","0.1401","","","","","","1.01","","","","has coordinates,has disorder","185168","2020-10-21","18:00:00",""
"7223280","5.4223","0.0003","7.6977","0.0004","25.4353","0.0014","90","","92.75","0.002","90","","1060.43","0.1","105","2","105","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","2,4-difluoro-N-phenylbenzamide","","- C13 H9 F2 N O -","- C13 H9 F2 N O -","- C52 H36 F8 N4 O4 -","4","1","","Mondal, Pradip Kumar; Chopra, Deepak","Crystal structure landscape of conformationally flexible organo-fluorine compounds","CrystEngComm","2016","18","1","48","","10.1039/C5CE01721A","","","0.71073","MoKα","","0.0607","0.0474","","","0.1273","0.137","","","","","","1.047","","","","has coordinates","175974","2020-10-21","18:00:00",""
"7223281","9.914","0.004","21.812","0.009","4.923","0.002","90","","90","","90","","1064.6","0.8","100","2","100","2","","","","","","","","5","P n a 21","P 2c -2n","33","","2,6-difluoro-N-phenylbenzamide","","- C13 H9 F2 N O -","- C13 H9 F2 N O -","- C52 H36 F8 N4 O4 -","4","1","","Mondal, Pradip Kumar; Chopra, Deepak","Crystal structure landscape of conformationally flexible organo-fluorine compounds","CrystEngComm","2016","18","1","48","","10.1039/C5CE01721A","","","0.71073","MoKα","","0.0496","0.0366","","","0.0749","0.0814","","","","","","1.036","","","","has coordinates","175974","2020-10-21","18:00:00",""
"7223282","5.4385","0.0001","7.5939","0.0002","12.8178","0.0003","106.251","0.001","100.337","0.001","90.203","0.001","499.16","0.02","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","3,4-difluoro-N-phenylbenzamide","","- C13 H9 F2 N O -","- C13 H9 F2 N O -","- C26 H18 F4 N2 O2 -","2","1","","Mondal, Pradip Kumar; Chopra, Deepak","Crystal structure landscape of conformationally flexible organo-fluorine compounds","CrystEngComm","2016","18","1","48","","10.1039/C5CE01721A","","","0.71073","MoKα","","0.0383","0.0365","","","0.0969","0.0987","","","","","","1.032","","","","has coordinates","175974","2020-10-21","18:00:00",""
"7223283","5.13","0.0003","8.8893","0.0005","11.6782","0.0007","101.426","0.003","97.174","0.003","90.881","0.003","517.47","0.05","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","3,5-difluoro-N-phenylbenzamide","","- C13 H9 F2 N O -","- C13 H9 F2 N O -","- C26 H18 F4 N2 O2 -","2","1","","Mondal, Pradip Kumar; Chopra, Deepak","Crystal structure landscape of conformationally flexible organo-fluorine compounds","CrystEngComm","2016","18","1","48","","10.1039/C5CE01721A","","","0.71073","MoKα","","0.0368","0.0346","","","0.0952","0.0976","","","","","","1.042","","","","has coordinates","175974","2020-10-21","18:00:00",""
"7223284","5.0295","0.0002","8.838","0.0004","24.4547","0.0009","90","","90","","90","","1087.03","0.08","115","2","115","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","N-(2,3-difluorophenyl)-2,3-difluorobenzamide","","- C13 H7 F4 N O -","- C13 H7 F4 N O -","- C52 H28 F16 N4 O4 -","4","1","","Mondal, Pradip Kumar; Chopra, Deepak","Crystal structure landscape of conformationally flexible organo-fluorine compounds","CrystEngComm","2016","18","1","48","","10.1039/C5CE01721A","","","0.71073","MoKα","","0.0489","0.0455","","","0.1285","0.1311","","","","","","1.089","","","","has coordinates","175974","2020-10-21","18:00:00",""
"7223285","9.456","0.003","4.7786","0.0016","24.253","0.008","90","","95.145","0.004","90","","1091.5","0.6","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","N-(2,3-difluorophenyl)-2,4-difluorobenzamide","","- C13 H7 F4 N O -","- C13 H7 F4 N O -","- C52 H28 F16 N4 O4 -","4","1","","Mondal, Pradip Kumar; Chopra, Deepak","Crystal structure landscape of conformationally flexible organo-fluorine compounds","CrystEngComm","2016","18","1","48","","10.1039/C5CE01721A","","","0.71073","MoKα","","0.0345","0.0318","","","0.0816","0.0838","","","","","","1.056","","","","has coordinates","175974","2020-10-21","18:00:00",""
"7223286","4.9918","0.0002","9.361","0.0005","12.0172","0.0006","102.372","0.002","97.44","0.002","90.222","0.002","543.59","0.05","104","2","104","2","","","","","","","","5","P -1","-P 1","2","","N-(2,3-difluorophenyl)-3,4-difluorobenzamide","","- C13 H7 F4 N O -","- C13 H7 F4 N O -","- C26 H14 F8 N2 O2 -","2","1","","Mondal, Pradip Kumar; Chopra, Deepak","Crystal structure landscape of conformationally flexible organo-fluorine compounds","CrystEngComm","2016","18","1","48","","10.1039/C5CE01721A","","","0.71073","MoKα","","0.0516","0.041","","","0.1049","0.1133","","","","","","1.032","","","","has coordinates","175974","2020-10-21","18:00:00",""
"7223287","4.6457","0.0005","5.0544","0.0005","11.8597","0.0013","100.967","0.004","92.076","0.004","92.987","0.004","272.72","0.05","105","2","105","2","","","","","","","","5","P 1","P 1","1","","N-(2,3-difluorophenyl)-3,5-difluorobenzamide","","- C13 H7 F4 N O -","- C13 H7 F4 N O -","- C13 H7 F4 N O -","1","1","","Mondal, Pradip Kumar; Chopra, Deepak","Crystal structure landscape of conformationally flexible organo-fluorine compounds","CrystEngComm","2016","18","1","48","","10.1039/C5CE01721A","","","0.71073","MoKα","","0.0288","0.0277","","","0.0746","0.0756","","","","","","1.059","","","","has coordinates","175974","2020-10-21","18:00:00",""
"7223288","5.535","0.007","5.035","0.006","19.29","0.02","90","","92.048","0.016","90","","537.2","1.1","110","2","110","2","","","","","","","","5","P 1 n 1","P -2yac","7","","N-(2,4-difluorophenyl)benzamide","","- C13 H9 F2 N O -","- C13 H9 F2 N O -","- C26 H18 F4 N2 O2 -","2","1","","Mondal, Pradip Kumar; Chopra, Deepak","Crystal structure landscape of conformationally flexible organo-fluorine compounds","CrystEngComm","2016","18","1","48","","10.1039/C5CE01721A","","","0.71073","MoKα","","0.0954","0.0808","","","0.231","0.2561","","","","","","1.098","","","","has coordinates,has disorder","175974","2020-10-21","18:00:00",""
"7223289","8.8818","0.0007","4.9233","0.0003","24.9499","0.0018","90","","94.162","0.002","90","","1088.13","0.13","115","2","115","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","N-(2,4-difluorophenyl)-2,3-difluorobenzamide","","- C13 H7 F4 N O -","- C13 H7 F4 N O -","- C52 H28 F16 N4 O4 -","4","1","","Mondal, Pradip Kumar; Chopra, Deepak","Crystal structure landscape of conformationally flexible organo-fluorine compounds","CrystEngComm","2016","18","1","48","","10.1039/C5CE01721A","","","0.71073","MoKα","","0.063","0.0476","","","0.1275","0.1375","","","","","","1.087","","","","has coordinates","175974","2020-10-21","18:00:00",""
"7223290","24.3084","0.001","5.0243","0.0002","8.4598","0.0004","90","","90","","90","","1033.22","0.08","100","2","100","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","N-(2,5-difluorophenyl)benzamide","","- C13 H9 F2 N O -","- C13 H9 F2 N O -","- C52 H36 F8 N4 O4 -","4","1","","Mondal, Pradip Kumar; Chopra, Deepak","Crystal structure landscape of conformationally flexible organo-fluorine compounds","CrystEngComm","2016","18","1","48","","10.1039/C5CE01721A","","","0.71073","MoKα","","0.0263","0.0256","","","0.0615","0.062","","","","","","1.111","","","","has coordinates","175974","2020-10-21","18:00:00",""
"7223291","5.4838","0.0002","7.7928","0.0004","12.6887","0.0006","106.682","0.002","98.87","0.001","90.157","0.002","512.57","0.04","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","N-(3,4-difluorophenyl)benzamide","","- C13 H9 F2 N O -","- C13 H9 F2 N O -","- C26 H18 F4 N2 O2 -","2","1","","Mondal, Pradip Kumar; Chopra, Deepak","Crystal structure landscape of conformationally flexible organo-fluorine compounds","CrystEngComm","2016","18","1","48","","10.1039/C5CE01721A","","","0.71073","MoKα","","0.0491","0.0436","","","0.1207","0.1255","","","","","","1.057","","","","has coordinates","175974","2020-10-21","18:00:00",""
"7223292","5.1818","0.0016","8.312","0.003","25.739","0.01","90","","93.172","0.011","90","","1106.9","0.7","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","N-(3,4-difluorophenyl)-2,3-difluorobenzamide","","- C13 H7 F4 N O -","- C13 H7 F4 N O -","- C52 H28 F16 N4 O4 -","4","1","","Mondal, Pradip Kumar; Chopra, Deepak","Crystal structure landscape of conformationally flexible organo-fluorine compounds","CrystEngComm","2016","18","1","48","","10.1039/C5CE01721A","","","0.71073","MoKα","","0.0511","0.0411","","","0.1055","0.112","","","","","","1.052","","","","has coordinates","175974","2020-10-21","18:00:00",""
"7223293","4.9514","0.0004","8.6873","0.0008","25.517","0.002","90","","91.829","0.003","90","","1097.04","0.16","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","N-(3,4-difluorophenyl)-3,5-difluorobenzamide","","- C13 H7 F4 N O -","- C13 H7 F4 N O -","- C52 H28 F16 N4 O4 -","4","1","","Mondal, Pradip Kumar; Chopra, Deepak","Crystal structure landscape of conformationally flexible organo-fluorine compounds","CrystEngComm","2016","18","1","48","","10.1039/C5CE01721A","","","0.71073","MoKα","","0.1032","0.0583","","","0.1332","0.153","","","","","","1.057","","","","has coordinates,has disorder","175974","2020-10-21","18:00:00",""
"7223294","10.179","0.01","5.15","0.005","20.053","0.02","90","","103.924","0.012","90","","1020.3","1.7","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","N-(3,5-difluorophenyl)benzamide","","- C13 H9 F2 N O -","- C13 H9 F2 N O -","- C52 H36 F8 N4 O4 -","4","1","","Mondal, Pradip Kumar; Chopra, Deepak","Crystal structure landscape of conformationally flexible organo-fluorine compounds","CrystEngComm","2016","18","1","48","","10.1039/C5CE01721A","","","0.71073","MoKα","","0.0386","0.0352","","","0.0917","0.094","","","","","","1.076","","","","has coordinates","175974","2020-10-21","18:00:00",""
"7223305","13.836","0.002","13.836","0.002","19.957","0.003","90","","90","","90","","3820.5","1","170","2","170.15","","","","","","","","","5","P 42/n","-P 4bc","86","","","","- C64 H76 N28 O20 Zn4 -","- C64 H76 N28 O20 Zn4 -","- C128 H152 N56 O40 Zn8 -","2","","","Mahmoudi, Ghodrat; Bauzá, Antonio; Rodríguez-Diéguez, Antonio; Garczarek, Piotr; Kaminsky, Werner; Frontera, Antonio","Synthesis, X-ray characterization, DFT calculations and Hirshfeld surface analysis studies of carbohydrazone based on Zn(ii) complexes","CrystEngComm","2016","18","1","102","","10.1039/C5CE01915J","","","0.71073","MoKα","","0.0524","0.0427","","","0.1123","0.1207","","","","","","1.182","","","","has coordinates","175975","2020-10-21","18:00:00",""
"7223306","13.7479","0.0007","13.6207","0.0007","44.742","0.002","90","","98.226","0.002","90","","8292","0.7","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C66 H64 Cl4 N24 O22 Zn4 -","- C60 H56 Cl4 N24 O20 Zn4 -","- C240 H224 Cl16 N96 O80 Zn16 -","4","1","","Mahmoudi, Ghodrat; Bauzá, Antonio; Rodríguez-Diéguez, Antonio; Garczarek, Piotr; Kaminsky, Werner; Frontera, Antonio","Synthesis, X-ray characterization, DFT calculations and Hirshfeld surface analysis studies of carbohydrazone based on Zn(ii) complexes","CrystEngComm","2016","18","1","102","","10.1039/C5CE01915J","","","0.71073","MoKα","","0.1466","0.0716","","","0.1507","0.1675","","","","","","1.039","","","","has coordinates,has disorder","175975","2020-10-21","18:00:00",""
"7223307","13.39","0.0017","29.716","0.004","21.716","0.003","90","","102.996","0.002","90","","8419.4","1.9","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C64 H60 N30 O10 S4 Zn5 -","- C64 H60 N30 O10 S4 Zn5 -","- C256 H240 N120 O40 S16 Zn20 -","4","1","","Mahmoudi, Ghodrat; Bauzá, Antonio; Rodríguez-Diéguez, Antonio; Garczarek, Piotr; Kaminsky, Werner; Frontera, Antonio","Synthesis, X-ray characterization, DFT calculations and Hirshfeld surface analysis studies of carbohydrazone based on Zn(ii) complexes","CrystEngComm","2016","18","1","102","","10.1039/C5CE01915J","","","0.71073","MoKα","","0.0622","0.0447","","","0.1103","0.1168","","","","","","1.053","","","","has coordinates,has disorder","175975","2020-10-21","18:00:00",""
"7223308","11.452","0.0003","12.106","0.0004","13.138","0.0004","115.338","0.003","99.128","0.002","104.707","0.001","1516.01","0.1","292","2","292","2","","","","","","","","6","P -1","-P 1","2","1024G","1024G","","- C21 H26 N10 O3 S4 Zn -","- C21 H26 N10 O3 S4 Zn -","- C42 H52 N20 O6 S8 Zn2 -","2","1","","Mahmoudi, Ghodrat; Bauzá, Antonio; Rodríguez-Diéguez, Antonio; Garczarek, Piotr; Kaminsky, Werner; Frontera, Antonio","Synthesis, X-ray characterization, DFT calculations and Hirshfeld surface analysis studies of carbohydrazone based on Zn(ii) complexes","CrystEngComm","2016","18","1","102","","10.1039/C5CE01915J","","","0.71073","MoKα","","0.1107","0.042","","","0.0945","0.114","","","","","","0.903","","","","has coordinates","175975","2020-10-21","18:00:00",""
"7223309","13.9941","0.0009","13.9941","0.0009","35.739","0.003","90","","90","","90","","6998.9","0.9","180","2","180","2","","","","","","","","6","I 41/a :2","-I 4ad","88","","","","- C60 H60 N30 Na O16 Zn4 -","- C60 H56 N30 O16 Zn4 -","- C240 H224 N120 O64 Zn16 -","4","0.25","","Mahmoudi, Ghodrat; Bauzá, Antonio; Rodríguez-Diéguez, Antonio; Garczarek, Piotr; Kaminsky, Werner; Frontera, Antonio","Synthesis, X-ray characterization, DFT calculations and Hirshfeld surface analysis studies of carbohydrazone based on Zn(ii) complexes","CrystEngComm","2016","18","1","102","","10.1039/C5CE01915J","","","0.71073","MoKα","","0.0723","0.0483","","","0.1263","0.1356","","","","","","0.997","","","","has coordinates","175975","2020-10-21","18:00:00",""
"7223319","5.5193","0.00013","8.7116","0.0002","23.1468","0.0006","84.894","0.002","88.701","0.002","72.509","0.002","1057.26","0.05","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C46 H68 N2 S2 -","- C46 H68 N2 S2 -","- C46 H68 N2 S2 -","1","0.5","","Chen, Jianhua; Xiao, Manjun; Duan, Linrui; Wang, Qiong; Tan, Hua; Su, Ning; Liu, Yu; Yang, Renqiang; Zhu, Weiguo","Benzodi(pyridothiophene): a novel acceptor unit for application in A1-A-A1 type photovoltaic small molecules.","Physical chemistry chemical physics : PCCP","2016","18","3","1507","1515","10.1039/c5cp05474e","","","0.7107","MoKα","","0.0702","0.0606","","","0.1855","0.1941","","","","","","1.089","","","","has coordinates","176204","2020-10-21","18:00:00",""
"7223326","14.442","0.005","22.524","0.005","21.414","0.005","90","","129.598","0.014","90","","5367","3","293","2","293","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C18 H12 Ag4 Mo12 N14 Na O40 P -","- C18 H10 Ag4 Mo12 N14 Na O40 P -","- C72 H40 Ag16 Mo48 N56 Na4 O160 P4 -","4","1","","Sha, Jing-Quan; Sun, Long-Jiang; Zhu, Pei-Pei; Jiang, Jianzhuang","The first two-fold interpenetrating polyoxometalate-based coordination polymer with helical channels: structure and catalytic activities","CrystEngComm","2016","18","2","283","","10.1039/C5CE02021B","","","0.71069","MoKα","","0.0717","0.0557","","","0.134","0.1444","","","","","","1.063","","","","has coordinates","175940","2020-10-21","18:00:00",""
"7223327","11.543","0.002","11.603","0.002","12.615","0.002","69.352","0.01","63.37","0.01","78.518","0.012","1411.6","0.4","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C58 H68 Cu2 N6 O18 P2 -","- C54 H52 Cu2 N6 O14 P2 -","- C54 H52 Cu2 N6 O14 P2 -","1","0.5","","Narang, Shikha; Singh, Udai P.; Venugopalan, P.","Solvent-mediated supramolecular templated assembly of a metal organophosphonate via a crystal‒amorphous‒crystal transformation","CrystEngComm","2016","18","1","54","","10.1039/C5CE01594D","","","0.71073","MoKα","","0.0852","0.0573","","","0.1574","0.1685","","","","","","1.014","","","","has coordinates,has disorder","175978","2020-10-21","18:00:00",""
"7223328","11.129","0.003","14.638","0.004","16.334","0.004","90","","90.251","0.01","90","","2660.9","1.2","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C56 H56 Cu2 N6 O14 P2 -","- C56 H56 Cu2 N6 O14 P2 -","- C112 H112 Cu4 N12 O28 P4 -","2","0.5","","Narang, Shikha; Singh, Udai P.; Venugopalan, P.","Solvent-mediated supramolecular templated assembly of a metal organophosphonate via a crystal‒amorphous‒crystal transformation","CrystEngComm","2016","18","1","54","","10.1039/C5CE01594D","","","0.71073","MoKα","","0.0718","0.0398","","","0.0835","0.0952","","","","","","1.023","","","","has coordinates,has disorder","175978","2020-10-21","18:00:00",""
"7223329","11.461","0.003","12.537","0.003","14.271","0.003","111.461","0.011","111.204","0.012","92.332","0.013","1743.4","0.8","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C37 H36 Cu N5 O8 P -","- C37 H34 Cu N5 O8 P -","- C74 H68 Cu2 N10 O16 P2 -","2","1","","Narang, Shikha; Singh, Udai P.; Venugopalan, P.","Solvent-mediated supramolecular templated assembly of a metal organophosphonate via a crystal‒amorphous‒crystal transformation","CrystEngComm","2016","18","1","54","","10.1039/C5CE01594D","","","0.71073","MoKα","","0.0726","0.0426","","","0.0975","0.11","","","","","","1.054","","","","has coordinates,has disorder","175978","2020-10-21","18:00:00",""
"7223330","7.2609","0.0007","9.9595","0.001","15.0827","0.0015","73.778","0.005","87.9","0.005","89.707","0.005","1046.56","0.18","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H16 Cu N6 O7 -","- C20 H16 Cu N6 O7 -","- C40 H32 Cu2 N12 O14 -","2","1","","Narang, Shikha; Singh, Udai P.; Venugopalan, P.","Solvent-mediated supramolecular templated assembly of a metal organophosphonate via a crystal‒amorphous‒crystal transformation","CrystEngComm","2016","18","1","54","","10.1039/C5CE01594D","","","0.71073","MoKα","","0.0498","0.0418","","","0.1297","0.1396","","","","","","0.983","","","","has coordinates,has disorder","175978","2020-10-21","18:00:00",""
"7223331","31.662","0.016","8.649","0.004","11.434","0.006","90","","102.53","0.05","90","","3057","3","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C17 H17 O3 P -","- C17 H17 O3 P -","- C136 H136 O24 P8 -","8","1","","Narang, Shikha; Singh, Udai P.; Venugopalan, P.","Solvent-mediated supramolecular templated assembly of a metal organophosphonate via a crystal‒amorphous‒crystal transformation","CrystEngComm","2016","18","1","54","","10.1039/C5CE01594D","","","0.71073","MoKα","","0.1302","0.0608","","","0.1529","0.175","","","","","","1.008","","","","has coordinates","175978","2020-10-21","18:00:00",""
"7223332","11.3974","0.0012","11.5337","0.0012","12.5848","0.0013","117.067","0.004","101.07","0.004","101.147","0.004","1369.1","0.3","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C58 H68 Cu2 N6 O18 P2 -","- C54 H48 Cu2 N6 O14 P2 -","- C54 H48 Cu2 N6 O14 P2 -","1","0.5","","Narang, Shikha; Singh, Udai P.; Venugopalan, P.","Solvent-mediated supramolecular templated assembly of a metal organophosphonate via a crystal‒amorphous‒crystal transformation","CrystEngComm","2016","18","1","54","","10.1039/C5CE01594D","","","0.71073","MoKα","","0.0654","0.0564","","","0.1566","0.161","","","","","","1.147","","","","has coordinates,has disorder","175978","2020-10-21","18:00:00",""
"7223333","5.8102","0.0003","23.9645","0.0013","10.9985","0.0005","90","","98.602","0.005","90","","1514.19","0.13","97.3","","97.3","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C19 H12 F2 N O3 -","- C19 H12 F2 N O3 -","- C76 H48 F8 N4 O12 -","4","1","","Fan, Guoling; Yang, Xiaogang; Liang, Ruizheng; Zhao, Jingwen; Li, Shuzhen; Yan, Dongpeng","Molecular cocrystals of diphenyloxazole with tunable fluorescence, up-conversion emission and dielectric properties","CrystEngComm","2016","18","2","240","","10.1039/C5CE02019K","","","0.71073","MoKα","","0.0567","0.0444","","","0.0958","0.1032","","","","","","1.044","","","","has coordinates","175942","2020-10-21","18:00:00",""
"7223334","4.6752","0.0006","16.257","0.003","19.332","0.005","90","","92.278","0.019","90","","1468.2","0.5","99.3","","99.3","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C36 H24 Cl2 N2 O6 -","- C36 H24 Cl2 N2 O6 -","- C72 H48 Cl4 N4 O12 -","2","0.5","","Fan, Guoling; Yang, Xiaogang; Liang, Ruizheng; Zhao, Jingwen; Li, Shuzhen; Yan, Dongpeng","Molecular cocrystals of diphenyloxazole with tunable fluorescence, up-conversion emission and dielectric properties","CrystEngComm","2016","18","2","240","","10.1039/C5CE02019K","","","0.71073","MoKα","","0.0803","0.0533","","","0.098","0.1088","","","","","","1.049","","","","has coordinates","175942","2020-10-21","18:00:00",""
"7223335","5.7528","0.0005","22.874","0.008","11.463","0.006","90","","97.874","0.019","90","","1494.2","1","100.1","","100.1","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C36 H22 Br2 F4 N2 O2 -","- C36 H22 Br2 F4 N2 O2 -","- C72 H44 Br4 F8 N4 O4 -","2","0.5","","Fan, Guoling; Yang, Xiaogang; Liang, Ruizheng; Zhao, Jingwen; Li, Shuzhen; Yan, Dongpeng","Molecular cocrystals of diphenyloxazole with tunable fluorescence, up-conversion emission and dielectric properties","CrystEngComm","2016","18","2","240","","10.1039/C5CE02019K","","","0.71073","MoKα","","0.0561","0.0425","","","0.0886","0.0941","","","","","","1.052","","","","has coordinates","175942","2020-10-21","18:00:00",""
"7223336","21.3375","0.0018","5.7007","0.0009","23.102","0.003","90","","90","","90","","2810.1","0.6","99.7","","99.7","","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C36 H28 N2 O4 -","- C36 H28 N2 O4 -","- C144 H112 N8 O16 -","4","1","","Fan, Guoling; Yang, Xiaogang; Liang, Ruizheng; Zhao, Jingwen; Li, Shuzhen; Yan, Dongpeng","Molecular cocrystals of diphenyloxazole with tunable fluorescence, up-conversion emission and dielectric properties","CrystEngComm","2016","18","2","240","","10.1039/C5CE02019K","","","0.71073","MoKα","","0.1431","0.0809","","","0.1046","0.1309","","","","","","1.011","","","","has coordinates","175942","2020-10-21","18:00:00",""
"7223337","7.8092","0.0007","12.7602","0.0016","19.323","0.002","97.533","0.01","92.737","0.009","107.448","0.009","1813.3","0.4","99.7","","99.7","","","","","","","","","6","P -1","-P 1","2","","","","- C39 H11 Br4 F16 N O -","- C39 H11 Br4 F16 N O -","- C78 H22 Br8 F32 N2 O2 -","2","1","","Fan, Guoling; Yang, Xiaogang; Liang, Ruizheng; Zhao, Jingwen; Li, Shuzhen; Yan, Dongpeng","Molecular cocrystals of diphenyloxazole with tunable fluorescence, up-conversion emission and dielectric properties","CrystEngComm","2016","18","2","240","","10.1039/C5CE02019K","","","0.71073","MoKα","","0.0743","0.0521","","","0.0915","0.0992","","","","","","1.093","","","","has coordinates","175942","2020-10-21","18:00:00",""
"7223338","12.2337","0.0011","9.5487","0.0008","13.0666","0.0013","90","","90","","90","","1526.4","0.2","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C8 H7 Ag N2 -","- C8 H7 Ag N2 -","- C64 H56 Ag8 N16 -","8","1","","Liu, Liyang; Wen, Tian; Fu, Wen-Qiang; Liu, Min; Chen, Shumei; Zhang, Jian","Structure-dependent mechanochromism of two Ag(i) imidazolate chains","CrystEngComm","2016","18","2","218","","10.1039/C5CE01852H","","","0.71073","MoKα","","0.041","0.0334","","","0.0569","0.0597","","","","","","1.194","","","","has coordinates","175943","2020-10-21","18:00:00",""
"7223339","20.633","0.004","20.797","0.004","16.615","0.003","90","","91.842","0.004","90","","7126","2","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C36 H36 Ag4 N8 -","- C36 H36 Ag4 N8 -","- C288 H288 Ag32 N64 -","8","1","","Liu, Liyang; Wen, Tian; Fu, Wen-Qiang; Liu, Min; Chen, Shumei; Zhang, Jian","Structure-dependent mechanochromism of two Ag(i) imidazolate chains","CrystEngComm","2016","18","2","218","","10.1039/C5CE01852H","","","0.71073","MoKα","","0.027","0.0231","","","0.0781","0.0829","","","","","","0.664","","","","has coordinates","175943","2020-10-21","18:00:00",""
"7223344","7.65","0.009","7.943","0.008","18.15","0.02","90","","92.26","0.02","90","","1102","2","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C10 H11 Cl N2 O2 -","- C10 H11 Cl N2 O2 -","- C40 H44 Cl4 N8 O8 -","4","1","","Tarai, Arup; Baruah, Jubaraj B.","Oxime synthons in the salts and cocrystals of quinoline-4-carbaldoxime for non-covalent synthesis","CrystEngComm","2016","18","2","298","","10.1039/C5CE02029H","","","0.71073","MoKα","","0.102","0.0414","","","0.0671","0.0787","","","","","","1.027","","","","has coordinates","175941","2020-10-21","18:00:00",""
"7223345","7.9402","0.0007","8.1717","0.0008","8.8975","0.0008","70.343","0.006","89.333","0.006","72.343","0.006","515.42","0.09","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C10 H9 N3 O4 -","- C10 H9 N3 O4 -","- C20 H18 N6 O8 -","2","1","","Tarai, Arup; Baruah, Jubaraj B.","Oxime synthons in the salts and cocrystals of quinoline-4-carbaldoxime for non-covalent synthesis","CrystEngComm","2016","18","2","298","","10.1039/C5CE02029H","","","0.71073","MoKα","","0.0371","0.0324","","","0.1109","0.1193","","","","","","0.87","","","","has coordinates","175941","2020-10-21","18:00:00",""
"7223346","4.9838","0.0002","9.8417","0.0004","10.3031","0.0005","100.059","0.003","100.517","0.003","91.372","0.003","488.42","0.04","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C11 H9 N2 O3 -","- C11 H9 N2 O3 -","- C22 H18 N4 O6 -","2","1","","Tarai, Arup; Baruah, Jubaraj B.","Oxime synthons in the salts and cocrystals of quinoline-4-carbaldoxime for non-covalent synthesis","CrystEngComm","2016","18","2","298","","10.1039/C5CE02029H","","","0.71073","MoKα","","0.0459","0.0391","","","0.1255","0.1339","","","","","","1.039","","","","has coordinates","175941","2020-10-21","18:00:00",""
"7223347","5.3961","0.0007","9.4163","0.0013","13.6395","0.0017","75.67","0.009","89.392","0.009","80.448","0.008","661.83","0.15","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C14 H12 N2 O5 -","- C14 H12 N2 O5 -","- C28 H24 N4 O10 -","2","1","","Tarai, Arup; Baruah, Jubaraj B.","Oxime synthons in the salts and cocrystals of quinoline-4-carbaldoxime for non-covalent synthesis","CrystEngComm","2016","18","2","298","","10.1039/C5CE02029H","","","0.71073","MoKα","","0.0733","0.0488","","","0.1315","0.1469","","","","","","1.017","","","","has coordinates","175941","2020-10-21","18:00:00",""
"7223348","12.7021","0.0005","5.0401","0.0002","19.1216","0.0008","90","","98.951","0.003","90","","1209.25","0.09","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C13 H13 N2 O3 -","- C13 H13 N2 O3 -","- C52 H52 N8 O12 -","4","1","","Tarai, Arup; Baruah, Jubaraj B.","Oxime synthons in the salts and cocrystals of quinoline-4-carbaldoxime for non-covalent synthesis","CrystEngComm","2016","18","2","298","","10.1039/C5CE02029H","","","0.71073","MoKα","","0.0678","0.0447","","","0.1249","0.1415","","","","","","1.026","","","","has coordinates","175941","2020-10-21","18:00:00",""
"7223349","12.7915","0.0005","5.0009","0.0002","16.4829","0.0007","90","","90.926","0.003","90","","1054.26","0.07","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C12 H11 N2 O3 -","- C12 H11 N2 O3 -","- C48 H44 N8 O12 -","4","1","","Tarai, Arup; Baruah, Jubaraj B.","Oxime synthons in the salts and cocrystals of quinoline-4-carbaldoxime for non-covalent synthesis","CrystEngComm","2016","18","2","298","","10.1039/C5CE02029H","","","0.71073","MoKα","","0.0654","0.0436","","","0.126","0.1408","","","","","","1.034","","","","has coordinates","175941","2020-10-21","18:00:00",""
"7223350","12.6838","0.0012","5.0451","0.0005","16.3375","0.0016","90","","90.201","0.007","90","","1045.45","0.18","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C12 H10 N2 O3 -","- C12 H10 N2 O3 -","- C48 H40 N8 O12 -","4","1","","Tarai, Arup; Baruah, Jubaraj B.","Oxime synthons in the salts and cocrystals of quinoline-4-carbaldoxime for non-covalent synthesis","CrystEngComm","2016","18","2","298","","10.1039/C5CE02029H","","","0.71073","MoKα","","0.0618","0.0427","","","0.1191","0.1314","","","","","","1.051","","","","has coordinates","175941","2020-10-21","18:00:00",""
"7223351","7.8758","0.0007","9.1877","0.001","11.3427","0.0008","112.883","0.008","91.057","0.007","105.877","0.009","720.07","0.13","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C11 H17 Co N O8 -","- C11 H17 Co N O8 -","- C22 H34 Co2 N2 O16 -","2","1","","Chisca, Diana; Croitor, Lilia; Petuhov, Oleg; Coropceanu, Eduard B.; Fonari, Marina S.","MOF-71 as a degradation product in single crystal to single crystal transformation of new three-dimensional Co(ii) 1,4-benzenedicarboxylate","CrystEngComm","2016","18","1","38","","10.1039/C5CE02094H","","","0.71073","MoKα","","0.0672","0.0446","","","0.0849","0.0954","","","","","","0.992","","","","has coordinates","175980","2020-10-21","18:00:00",""
"7223352","19.228","0.005","7.24","0.004","8.874","0.004","90","","90","","90","","1235.4","0.9","293","2","293","2","","","","","","","","5","I m m a","-I 2b 2","74","","","","- C11 H11 Co N O5 -","- C11 H4 Co N O5 -","- C44 H16 Co4 N4 O20 -","4","0.25","","Chisca, Diana; Croitor, Lilia; Petuhov, Oleg; Coropceanu, Eduard B.; Fonari, Marina S.","MOF-71 as a degradation product in single crystal to single crystal transformation of new three-dimensional Co(ii) 1,4-benzenedicarboxylate","CrystEngComm","2016","18","1","38","","10.1039/C5CE02094H","","","0.71073","MoKα","","0.2033","0.1264","","","0.2807","0.33","","","","","","0.991","","","","has coordinates","175980","2020-10-21","18:00:00",""
"7223353","27.3644","0.0003","13.4467","0.0001","28.0955","0.0003","90","","94.042","0.001","90","","10312.3","0.18","293","2","293","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C50 H54 F3 I3 N6 O2 S2 -","- C50 H54 F3 I3 N6 O2 S2 -","- C400 H432 F24 I24 N48 O16 S16 -","8","1","","Hidalgo, Paulina I.; Leal, Sergio; Jiménez, Claudio A.; Vöhringer-Martinez, Esteban; Herrera, Bárbara; Pasán, Jorge; Ruiz-Pérez, Catalina; Bruce, Duncan W.","Extending the halogen-bonded supramolecular synthon concept to 1,3,4-oxadiazole derivatives","CrystEngComm","2016","18","1","42","","10.1039/C5CE02154E","","","1.5418","CuKα","","0.0468","0.0412","","","0.1046","0.1108","","","","","","1.052","","","","has coordinates","175979","2020-10-21","18:00:00",""
"7223354","10.4878","0.001","12.3896","0.0011","12.7932","0.0012","78.982","0.008","82.201","0.008","81.597","0.008","1604.2","0.3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C29 H29 F3 I3 N3 O2 -","- C29 H29 F3 I3 N3 O2 -","- C58 H58 F6 I6 N6 O4 -","2","1","","Hidalgo, Paulina I.; Leal, Sergio; Jiménez, Claudio A.; Vöhringer-Martinez, Esteban; Herrera, Bárbara; Pasán, Jorge; Ruiz-Pérez, Catalina; Bruce, Duncan W.","Extending the halogen-bonded supramolecular synthon concept to 1,3,4-oxadiazole derivatives","CrystEngComm","2016","18","1","42","","10.1039/C5CE02154E","","","1.54184","CuKα","","0.1489","0.141","","","0.3318","0.3535","","","","","","1.277","","","","has coordinates","175979","2020-10-21","18:00:00",""
"7223355","9.5328","0.0003","11.9482","0.0003","13.9164","0.0003","82.274","0.002","85.796","0.002","87.527","0.002","1565.57","0.07","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C28 H27 F3 I3 N3 O2 -","- C28 H27 F3 I3 N3 O2 -","- C56 H54 F6 I6 N6 O4 -","2","1","","Hidalgo, Paulina I.; Leal, Sergio; Jiménez, Claudio A.; Vöhringer-Martinez, Esteban; Herrera, Bárbara; Pasán, Jorge; Ruiz-Pérez, Catalina; Bruce, Duncan W.","Extending the halogen-bonded supramolecular synthon concept to 1,3,4-oxadiazole derivatives","CrystEngComm","2016","18","1","42","","10.1039/C5CE02154E","","","1.54184","CuKα","","0.0593","0.056","","","0.158","0.164","","","","","","1.08","","","","has coordinates","175979","2020-10-21","18:00:00",""
"7223356","9.5563","0.0003","11.4823","0.0003","14.152","0.0004","99.118","0.002","92.177","0.002","92.289","0.002","1530.48","0.08","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C27 H25 F3 I3 N3 O2 -","- C27 H25 F3 I3 N3 O2 -","- C54 H50 F6 I6 N6 O4 -","2","1","","Hidalgo, Paulina I.; Leal, Sergio; Jiménez, Claudio A.; Vöhringer-Martinez, Esteban; Herrera, Bárbara; Pasán, Jorge; Ruiz-Pérez, Catalina; Bruce, Duncan W.","Extending the halogen-bonded supramolecular synthon concept to 1,3,4-oxadiazole derivatives","CrystEngComm","2016","18","1","42","","10.1039/C5CE02154E","","","1.54184","CuKα","","0.0374","0.0347","","","0.0879","0.0913","","","","","","1.04","","","","has coordinates","175979","2020-10-21","18:00:00",""
"7223357","10.0662","0.0002","14.4987","0.0003","20.6364","0.0005","82.22","0.002","81.567","0.002","89.177","0.002","2951.78","0.11","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C26 H23 F3 I3 N3 O2 -","- C26 H23 F3 I3 N3 O2 -","- C104 H92 F12 I12 N12 O8 -","4","2","","Hidalgo, Paulina I.; Leal, Sergio; Jiménez, Claudio A.; Vöhringer-Martinez, Esteban; Herrera, Bárbara; Pasán, Jorge; Ruiz-Pérez, Catalina; Bruce, Duncan W.","Extending the halogen-bonded supramolecular synthon concept to 1,3,4-oxadiazole derivatives","CrystEngComm","2016","18","1","42","","10.1039/C5CE02154E","","","1.54184","CuKα","","0.0684","0.0577","","","0.1536","0.1694","","","","","","1.024","","","","has coordinates","192220","2020-10-21","18:00:00",""
"7223358","9.0898","0.0005","12.7927","0.0008","13.8531","0.0007","114.273","0.006","98.513","0.005","100.445","0.005","1398.93","0.17","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C25 H21 F3 I3 N3 O2 -","- C25 H21 F3 I3 N3 O2 -","- C50 H42 F6 I6 N6 O4 -","2","1","","Hidalgo, Paulina I.; Leal, Sergio; Jiménez, Claudio A.; Vöhringer-Martinez, Esteban; Herrera, Bárbara; Pasán, Jorge; Ruiz-Pérez, Catalina; Bruce, Duncan W.","Extending the halogen-bonded supramolecular synthon concept to 1,3,4-oxadiazole derivatives","CrystEngComm","2016","18","1","42","","10.1039/C5CE02154E","","","1.54184","CuKα","","0.094","0.0822","","","0.224","0.2568","","","","","","1.037","","","","has coordinates","175979","2020-10-21","18:00:00",""
"7223359","13.1874","0.0008","11.9065","0.0008","19.8014","0.0013","90","","100.142","0.002","90","","3060.6","0.3","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C24 H22 Cl2 Cu2 N12 O8 -","- C24 H22 Cl2 Cu2 N12 O8 -","- C96 H88 Cl8 Cu8 N48 O32 -","4","1","","Barros, Wdeson P.; Luisa Calatayud, M.; Lloret, Francesc; Julve, Miguel; Marino, Nadia; De Munno, Giovanni; Stumpf, Humberto O.; Ruiz-García, Rafael; Castro, Isabel","Self-assembly, binding ability and magnetic properties of dicopper(ii) pyrazolenophanes","CrystEngComm","2016","18","3","437","","10.1039/C5CE02058A","","","0.71073","MoKα","","0.0474","0.0359","","","0.0889","0.0964","","","","","","1.035","","","","has coordinates,has disorder","175950","2020-10-21","18:00:00",""
"7223360","12.6355","0.0004","41.3258","0.0013","20.8981","0.0007","90","","90","","90","","10912.4","0.6","296","2","296","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C90 H82 Cl6 Cu6 N24 O32 -","- C90 H70 Cl5 Cu6 N24 O22 -","- C360 H280 Cl20 Cu24 N96 O88 -","4","0.5","","Barros, Wdeson P.; Luisa Calatayud, M.; Lloret, Francesc; Julve, Miguel; Marino, Nadia; De Munno, Giovanni; Stumpf, Humberto O.; Ruiz-García, Rafael; Castro, Isabel","Self-assembly, binding ability and magnetic properties of dicopper(ii) pyrazolenophanes","CrystEngComm","2016","18","3","437","","10.1039/C5CE02058A","","","0.71073","MoKα","","0.0808","0.0503","","","0.1401","0.1658","","","","","","1.077","","","","has coordinates,has disorder","175950","2020-10-21","18:00:00",""
"7223361","8.497","0.002","25.544","0.007","18.675","0.005","90","","90","","90","","4053.4","1.8","296","2","296","2","","","","","","","","6","P b c m","-P 2c 2b","57","","","","- C36 H37 Cl2 Cu2 N9 O10 -","- C36 H37 Cl2 Cu2 N9 O10 -","- C144 H148 Cl8 Cu8 N36 O40 -","4","0.5","","Barros, Wdeson P.; Luisa Calatayud, M.; Lloret, Francesc; Julve, Miguel; Marino, Nadia; De Munno, Giovanni; Stumpf, Humberto O.; Ruiz-García, Rafael; Castro, Isabel","Self-assembly, binding ability and magnetic properties of dicopper(ii) pyrazolenophanes","CrystEngComm","2016","18","3","437","","10.1039/C5CE02058A","","","0.71073","MoKα","","0.0874","0.0632","","","0.1933","0.2132","","","","","","1.098","","","","has coordinates,has disorder","175950","2020-10-21","18:00:00",""
"7223362","13.841","0.0013","8.0261","0.0008","39.946","0.003","90","","96.565","0.004","90","","4408.5","0.7","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C42 H44 Cl2 Cu2 N10 O8 -","- C42 H44 Cl2 Cu2 N10 O8 -","- C168 H176 Cl8 Cu8 N40 O32 -","4","1","","Barros, Wdeson P.; Luisa Calatayud, M.; Lloret, Francesc; Julve, Miguel; Marino, Nadia; De Munno, Giovanni; Stumpf, Humberto O.; Ruiz-García, Rafael; Castro, Isabel","Self-assembly, binding ability and magnetic properties of dicopper(ii) pyrazolenophanes","CrystEngComm","2016","18","3","437","","10.1039/C5CE02058A","","","0.71073","MoKα","","0.1523","0.0825","","","0.2243","0.2595","","","","","","1.122","","","","has coordinates,has disorder","175950","2020-10-21","18:00:00",""
"7223369","13.029","0.003","9.107","0.002","13.565","0.003","90","","116.569","0.004","90","","1439.6","0.6","150","2","150","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C30 H30 N2 O11 -","- C30 H30 N2 O11 -","- C60 H60 N4 O22 -","2","1","","Kodama, Koichi; Morita, Yuya; Sekine, Eriko; Hirose, Takuji","A systematic study on ternary inclusion crystals consisting of dianilines and three positional isomers of ditoluoyl-l-tartaric acid","CrystEngComm","2016","18","1","123","","10.1039/C5CE01769F","","","0.71073","MoKα","","0.0549","0.0459","","","0.1026","0.1109","","","","","","1.142","","","","has coordinates","175977","2020-10-21","18:00:00",""
"7223370","13.604","0.002","9.974","0.002","13.84","0.003","90","","119.099","0.004","90","","1640.9","0.5","100","2","100","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C33 H38 N2 O11 -","- C33 H38 N2 O11 -","- C66 H76 N4 O22 -","2","0.5","","Kodama, Koichi; Morita, Yuya; Sekine, Eriko; Hirose, Takuji","A systematic study on ternary inclusion crystals consisting of dianilines and three positional isomers of ditoluoyl-l-tartaric acid","CrystEngComm","2016","18","1","123","","10.1039/C5CE01769F","","","0.71073","MoKα","","0.0394","0.0369","","","0.0972","0.1004","","","","","","1.029","","","","has coordinates","175977","2020-10-21","18:00:00",""
"7223371","13.524","0.002","9.9285","0.0016","13.891","0.003","90","","118.817","0.0019","90","","1634.2","0.5","150","2","150","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C32 H36 N2 O12 -","- C32 H36 N2 O12 -","- C64 H72 N4 O24 -","2","0.5","","Kodama, Koichi; Morita, Yuya; Sekine, Eriko; Hirose, Takuji","A systematic study on ternary inclusion crystals consisting of dianilines and three positional isomers of ditoluoyl-l-tartaric acid","CrystEngComm","2016","18","1","123","","10.1039/C5CE01769F","","","0.71073","MoKα","","0.0286","0.028","","","0.0777","0.0784","","","","","","1.049","","","","has coordinates","175977","2020-10-21","18:00:00",""
"7223372","16.286","0.007","22.708","0.009","7.95","0.003","90","","115.707","0.005","90","","2649.1","1.8","150","2","150","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C28.5 H30 N O8.5 -","- C28.5 H25 N O8.5 -","- C114 H100 N4 O34 -","4","1","","Kodama, Koichi; Morita, Yuya; Sekine, Eriko; Hirose, Takuji","A systematic study on ternary inclusion crystals consisting of dianilines and three positional isomers of ditoluoyl-l-tartaric acid","CrystEngComm","2016","18","1","123","","10.1039/C5CE01769F","","","0.71073","MoKα","","0.0843","0.0667","","","0.1704","0.1885","","","","","","1.038","","","","has coordinates","175977","2020-10-21","18:00:00",""
"7223373","7.7919","0.0013","21.208","0.004","24.416","0.004","90","","90","","90","","4034.8","1.2","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C40 H52 N2 O12 -","- C40 H39 N2 O12 -","- C160 H156 N8 O48 -","4","1","","Kodama, Koichi; Morita, Yuya; Sekine, Eriko; Hirose, Takuji","A systematic study on ternary inclusion crystals consisting of dianilines and three positional isomers of ditoluoyl-l-tartaric acid","CrystEngComm","2016","18","1","123","","10.1039/C5CE01769F","","","0.71073","MoKα","","0.1291","0.0853","","","0.2202","0.2477","","","","","","1.033","","","","has coordinates,has disorder","175977","2020-10-21","18:00:00",""
"7223374","28.639","0.005","28.639","0.005","7.8757","0.0015","90","","90","","90","","6460","2","200","2","200","2","","","","","","","","4","I 41","I 4bw","80","","","","- C33 H32 N2 O8 -","- C33 H32 N2 O8 -","- C264 H256 N16 O64 -","8","1","","Kodama, Koichi; Morita, Yuya; Sekine, Eriko; Hirose, Takuji","A systematic study on ternary inclusion crystals consisting of dianilines and three positional isomers of ditoluoyl-l-tartaric acid","CrystEngComm","2016","18","1","123","","10.1039/C5CE01769F","","","0.71073","MoKα","","0.1124","0.0547","","","0.1313","0.1503","","","","","","0.91","","","","has coordinates","175977","2020-10-21","18:00:00",""
"7223375","7.7836","0.0008","22.234","0.002","24.89","0.003","90","","90","","90","","4307.5","0.8","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C42 H54 N2 O11 -","- C42 H42 N2 O11 -","- C168 H168 N8 O44 -","4","1","","Kodama, Koichi; Morita, Yuya; Sekine, Eriko; Hirose, Takuji","A systematic study on ternary inclusion crystals consisting of dianilines and three positional isomers of ditoluoyl-l-tartaric acid","CrystEngComm","2016","18","1","123","","10.1039/C5CE01769F","","","0.71073","MoKα","","0.0954","0.0719","","","0.1966","0.2087","","","","","","1.028","","","","has coordinates,has disorder","175977","2020-10-21","18:00:00",""
"7223396","6.4499","0.0003","19.1637","0.0008","8.0685","0.0003","90","","96.557","0.002","90","","990.77","0.07","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Magnesiumcarboxylate","","","- C6 H7 Mg1.5 O7 S -","- C6 H7 Mg1.5 O7 S -","- C24 H28 Mg6 O28 S4 -","4","1","","M., Prabu; Asha, K. S.; Sinha, Mekhola; Poduval, Anamika; Mandal, Sukhendu","The structural diversity, band gap energy and photoluminescence properties of thiophenedicarboxylate based coordination polymers","CrystEngComm","2016","18","4","536","","10.1039/C5CE01886B","","","0.71073","MoKα","","0.0564","0.0392","","","0.1014","0.1207","","","","","","1.166","","","","has coordinates","175944","2020-10-21","18:00:00",""
"7223397","9.6615","0.0003","10.49","0.0003","11.9404","0.0003","110.295","0.001","91.875","0.001","114.86","0.001","1006.93","0.05","298","2","298","2","","","","","","","","6","P -1","-P 1","2","Magnesiumcarboxylate","","","- C14 H4 Mg1.5 N O8 S2 -","- C14 H4 Mg1.5 N O8 S2 -","- C28 H8 Mg3 N2 O16 S4 -","2","1","","M., Prabu; Asha, K. S.; Sinha, Mekhola; Poduval, Anamika; Mandal, Sukhendu","The structural diversity, band gap energy and photoluminescence properties of thiophenedicarboxylate based coordination polymers","CrystEngComm","2016","18","4","536","","10.1039/C5CE01886B","","","0.71073","MoKα","","0.0633","0.0522","","","0.1735","0.1859","","","","","","1.122","","","","has coordinates","175944","2020-10-21","18:00:00",""
"7223398","34.681","0.003","15.3678","0.0013","13.7141","0.001","90","","112.169","0.004","90","","6768.9","1","298","2","298","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","Zinccarboxylate","","","- C27 H16 N3 O8.5 S2 Zn2 -","- C27 H16 N3 O8.5 S2 Zn2 -","- C216 H128 N24 O68 S16 Zn16 -","8","1","","M., Prabu; Asha, K. S.; Sinha, Mekhola; Poduval, Anamika; Mandal, Sukhendu","The structural diversity, band gap energy and photoluminescence properties of thiophenedicarboxylate based coordination polymers","CrystEngComm","2016","18","4","536","","10.1039/C5CE01886B","","","0.71073","MoKα","","0.074","0.0518","","","0.1851","0.2113","","","","","","1.087","","","","has coordinates","175944","2020-10-21","18:00:00",""
"7223399","10.0483","0.0002","13.4969","0.0003","16.7346","0.0004","90","","93.683","0.001","90","","2264.87","0.09","298","2","298","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","Magnesiumcarboxylate","","","- C18 H18 Mg2 N2 O10 S2 -","- C18 H18 Mg2 N2 O10 S2 -","- C72 H72 Mg8 N8 O40 S8 -","4","1","","M., Prabu; Asha, K. S.; Sinha, Mekhola; Poduval, Anamika; Mandal, Sukhendu","The structural diversity, band gap energy and photoluminescence properties of thiophenedicarboxylate based coordination polymers","CrystEngComm","2016","18","4","536","","10.1039/C5CE01886B","","","0.71073","MoKα","","0.0803","0.0511","","","0.1339","0.1471","","","","","","1.039","","","","has coordinates","175944","2020-10-21","18:00:00",""
"7223400","13.5642","0.0013","13.5642","0.0013","15.6425","0.0012","90","","90","","90","","2878","0.4","298","2","298","2","","","","","","","","6","P 43 2 2","P 4cw 2c","95","Indiumcarboxylate","","","- C7 H2 In0.5 N0.5 O4 S -","- C7 H2 In0.5 N0.5 O4 S -","- C56 H16 In4 N4 O32 S8 -","8","1","","M., Prabu; Asha, K. S.; Sinha, Mekhola; Poduval, Anamika; Mandal, Sukhendu","The structural diversity, band gap energy and photoluminescence properties of thiophenedicarboxylate based coordination polymers","CrystEngComm","2016","18","4","536","","10.1039/C5CE01886B","","","0.71073","MoKα","","0.053","0.0364","","","0.0959","0.1043","","","","","","1.071","","","","has coordinates","175944","2020-10-21","18:00:00",""
"7223403","13.6976","0.0007","16.1004","0.0008","14.1055","0.0007","90","","92.642","0.002","90","","3107.5","0.3","100","2","100.01","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C39 H72 Br12 N6 S4 Zn -","- C39 H72 Br12 N6 S4 Zn -","- C78 H144 Br24 N12 S8 Zn2 -","2","1","","Rosokha, Sergiy V.; Stern, Charlotte L.; Vinakos, Michael K.","From single-point to three-point halogen bonding between zinc(ii) tetrathiocyanate and tetrabromomethane","CrystEngComm","2016","18","3","488","","10.1039/C5CE02125A","","","0.71073","MoKα","","0.069","0.0395","","","0.0816","0.0851","","","","","","1.03","","","","has coordinates","175952","2020-10-21","18:00:00",""
"7223404","12.3714","0.0003","13.3655","0.0002","37.5272","0.0006","90","","90","","90","","6205.1","0.2","100","2","100","2","","","","","","","","7","P n n n","-P 2ab 2bc","48","","","","- C114 H124 Gd2 N2 O47 P2 S8 -","- C114 H124 Gd2 N2 O47 P2 S8 -","- C228 H248 Gd4 N4 O94 P4 S16 -","2","","","Ling, Irene; Sobolev, Alexandre N.; Raston, Colin L.","Gadolinium(iii)-mediated multi-component confinement of imidazolium cations in p-sulfonated calix[4]arene","CrystEngComm","2016","18","26","4929","","10.1039/C5CE01920F","","","1.54178","CuKα","","0.1218","0.1027","","","0.2818","0.2968","","","","","","1.042","","","","has coordinates,has disorder","185199","2020-10-21","18:00:00",""
"7223405","17.4699","0.0008","18.0265","0.0007","23.3461","0.0009","102.788","0.003","96.123","0.003","118.576","0.004","6099.4","0.5","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C167 H195 N2 O60 P4 S8 -","- C167 H136 N2 O60.0002 P4 S8 -","- C167 H136 N2 O60.0002 P4 S8 -","1","0.5","","Ling, Irene; Sobolev, Alexandre N.; Raston, Colin L.","Gadolinium(iii)-mediated multi-component confinement of imidazolium cations in p-sulfonated calix[4]arene","CrystEngComm","2016","18","26","4929","","10.1039/C5CE01920F","","","1.54178","CuKα","","0.2438","0.1719","","","0.4089","0.4396","","","","","","1.019","","","","has coordinates,has disorder","185199","2020-10-21","18:00:00",""
"7223406","10.4708","0.0006","10.5478","0.0006","11.0342","0.0006","72.783","0.005","75.786","0.005","70.243","0.005","1081.09","0.11","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C25 H22 I O P -","- C25 H22 I O P -","- C50 H44 I2 O2 P2 -","2","1","","Ling, Irene; Sobolev, Alexandre N.; Raston, Colin L.","Gadolinium(iii)-mediated multi-component confinement of imidazolium cations in p-sulfonated calix[4]arene","CrystEngComm","2016","18","26","4929","","10.1039/C5CE01920F","","","1.54178","CuKα","","0.0458","0.0407","","","0.0978","0.1015","","","","","","1","","","","has coordinates","185199","2020-10-21","18:00:00",""
"7223407","11.178","0.011","10.166","0.01","12.216","0.012","90","","90","","90","","1388","2","358","2","358","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C7 H15 Cl5 Co N2 -","- C7 H15 Cl5 Co N2 -","- C28 H60 Cl20 Co4 N8 -","4","0.5","","Chen, Chun-Hong; Xu, Guan-Cheng","Synthesis, characterization and disorder‒order phase transition of inorganic‒organic hybrid materials (H2dabco-CH2-Cl)[MIICl4] (M = Co, Zn)","CrystEngComm","2016","18","4","550","","10.1039/C5CE02059J","","","0.71073","MoKα","","0.0339","0.0302","","","0.0758","0.0789","","","","","","1.02","","","","has coordinates,has disorder","175947","2020-10-21","18:00:00",""
"7223408","10.0525","0.0019","12.081","0.002","11.042","0.002","90","","91.329","0.003","90","","1340.6","0.4","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C7 H15 Cl5 Co N2 -","- C7 H15 Cl5 Co N2 -","- C28 H60 Cl20 Co4 N8 -","4","1","","Chen, Chun-Hong; Xu, Guan-Cheng","Synthesis, characterization and disorder‒order phase transition of inorganic‒organic hybrid materials (H2dabco-CH2-Cl)[MIICl4] (M = Co, Zn)","CrystEngComm","2016","18","4","550","","10.1039/C5CE02059J","","","0.71073","MoKα","","0.0209","0.0199","","","0.049","0.0495","","","","","","1.033","","","","has coordinates","175947","2020-10-21","18:00:00",""
"7223409","11.19","0.006","10.204","0.006","12.278","0.007","90","","90","","90","","1401.9","1.4","363","2","363","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C7 H15 Cl5 N2 Zn -","- C7 H15 Cl5 N2 Zn -","- C28 H60 Cl20 N8 Zn4 -","4","0.5","","Chen, Chun-Hong; Xu, Guan-Cheng","Synthesis, characterization and disorder‒order phase transition of inorganic‒organic hybrid materials (H2dabco-CH2-Cl)[MIICl4] (M = Co, Zn)","CrystEngComm","2016","18","4","550","","10.1039/C5CE02059J","","","0.71073","MoKα","","0.0316","0.0276","","","0.0646","0.0669","","","","","","1.012","","","","has coordinates,has disorder","175947","2020-10-21","18:00:00",""
"7223410","10.0664","0.0017","12.075","0.002","11.0158","0.0019","90","","91.262","0.002","90","","1338.7","0.4","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C7 H15 Cl5 N2 Zn -","- C7 H15 Cl5 N2 Zn -","- C28 H60 Cl20 N8 Zn4 -","4","1","","Chen, Chun-Hong; Xu, Guan-Cheng","Synthesis, characterization and disorder‒order phase transition of inorganic‒organic hybrid materials (H2dabco-CH2-Cl)[MIICl4] (M = Co, Zn)","CrystEngComm","2016","18","4","550","","10.1039/C5CE02059J","","","0.71073","MoKα","","0.0409","0.0404","","","0.149","0.1494","","","","","","1.059","","","","has coordinates","175947","2020-10-21","18:00:00",""
"7223426","7.0513","0.0003","7.6501","0.0002","15.5178","0.0007","90","","101.367","0.001","90","","820.66","0.06","100","2","100.15","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C16 H21 Br O Si -","- C16 H21 Br O Si -","- C32 H42 Br2 O2 Si2 -","2","1","","Beckmann, Peter A.; Moore, Curtis E.; Rheingold, Arnold L.","Methyl and t-butyl group rotation in a molecular solid: (1)H NMR spin-lattice relaxation and X-ray diffraction.","Physical chemistry chemical physics : PCCP","2016","18","3","1720","1726","10.1039/c5cp04994f","","x-ray","0.71073","MoKα","","0.0206","0.0186","","","0.0424","0.043","","","","","","0.874","","","","has coordinates","176203","2020-10-21","18:00:00",""
"7223436","15.4414","0.0015","10.9156","0.0011","14.596","0.0014","90","","90","","90","","2460.2","0.4","150","2","150","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C18 H32 Ni2 O18 -","- C18 H29 Ni2 O18 -","- C72 H116 Ni8 O72 -","4","1","","McCormick, Laura J.; Morris, Samuel A.; Slawin, Alexandra M. Z.; Teat, Simon J.; Morris, Russell E.","Coordination polymers of 5-substituted isophthalic acid.","CrystEngComm / RSC","2016","18","7","1123","1132","10.1039/c5ce02091c","","","0.7749","synchrotron","","0.0399","0.0377","","","0.1051","0.1068","","","","","","1.085","","","","has coordinates","181596","2020-10-21","18:00:00",""
"7223437","20.775","0.003","27.566","0.003","10.846","0.0013","90","","90","","90","","6211.3","1.3","150","2","150","2","","","","","","","","4","P n n 2","P 2 -2n","34","","","","- C45 H54.75 O33.5 Zn6 -","- C45 H30 O33.433 Zn6 -","- C180 H120 O133.732 Zn24 -","4","1","","McCormick, Laura J.; Morris, Samuel A.; Slawin, Alexandra M. Z.; Teat, Simon J.; Morris, Russell E.","Coordination polymers of 5-substituted isophthalic acid.","CrystEngComm / RSC","2016","18","7","1123","1132","10.1039/c5ce02091c","","","0.7749","synchrotron","","0.0618","0.0533","","","0.1378","0.1432","","","","","","1.042","","","","has coordinates,has disorder","181596","2020-10-21","18:00:00",""
"7223438","17.382","0.004","10.4516","0.0015","15.97","0.003","90","","90","","90","","2901.3","1","173","2","173","2","","","","","","","","4","P 21 21 2","P 2 2ab","18","","","","- C45 H44 O28 Zn6 -","- C45 H32 O28 Zn6 -","- C90 H64 O56 Zn12 -","2","0.5","","McCormick, Laura J.; Morris, Samuel A.; Slawin, Alexandra M. Z.; Teat, Simon J.; Morris, Russell E.","Coordination polymers of 5-substituted isophthalic acid.","CrystEngComm / RSC","2016","18","7","1123","1132","10.1039/c5ce02091c","","","0.71075","MoKα","","0.1102","0.0575","","","0.1285","0.1517","","","","","","1.073","","","","has coordinates","181596","2020-10-21","18:00:00",""
"7223439","4.5131","0.0008","14.483","0.003","12.622","0.003","90","","97.792","0.009","90","","817.4","0.3","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H14 Mn O10 -","- C18 H14 Mn O10 -","- C36 H28 Mn2 O20 -","2","0.5","","McCormick, Laura J.; Morris, Samuel A.; Slawin, Alexandra M. Z.; Teat, Simon J.; Morris, Russell E.","Coordination polymers of 5-substituted isophthalic acid.","CrystEngComm / RSC","2016","18","7","1123","1132","10.1039/c5ce02091c","","","0.71075","MoKα","","0.0593","0.0348","","","0.0737","0.0829","","","","","","1.032","","","","has coordinates","181596","2020-10-21","18:00:00",""
"7223440","9.1496","0.0012","9.7908","0.0012","16.078","0.002","89.207","0.002","76.087","0.002","74.643","0.002","1346.2","0.3","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C52 H62 Mn3 O18 -","- C52 H62 Mn3 O18 -","- C52 H62 Mn3 O18 -","1","0.5","","McCormick, Laura J.; Morris, Samuel A.; Slawin, Alexandra M. Z.; Teat, Simon J.; Morris, Russell E.","Coordination polymers of 5-substituted isophthalic acid.","CrystEngComm / RSC","2016","18","7","1123","1132","10.1039/c5ce02091c","","","0.7749","synchrotron","","0.0538","0.0453","","","0.1204","0.126","","","","","","1.041","","","","has coordinates,has disorder","181596","2020-10-21","18:00:00",""
"7223441","9.0471","0.0006","17.5709","0.0011","12.943","0.0008","90","","109.25","0.001","90","","1942.5","0.2","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C23 H26 N2 O2 -","- C23 H26 N2 O2 -","- C92 H104 N8 O8 -","4","1","","Harvey, Benjamin G.; Guenthner, Andrew J.; Koontz, Thomas A.; Storch, Perrin J.; Reams, Josiah T.; Groshens, Thomas J.","Sustainable hydrophobic thermosetting resins and polycarbonates from turpentine","Green Chem.","2016","18","8","2416","","10.1039/C5GC02893K","","","0.71073","","","0.0643","0.0495","","","0.1262","0.1367","","","","","","1.035","","","","has coordinates","288472","2023-12-21","10:36:58",""
"7223442","9.0258","0.0009","11.0099","0.001","12.4506","0.0012","79.449","0.004","76.11","0.004","80.803","0.003","1172","0.2","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H24 N2 O3 S -","- C28 H24 N2 O3 S -","- C56 H48 N4 O6 S2 -","2","1","","Dandia, Anshu; Parewa, Vijay; Kumari, Sukhbeer; Bansal, Sarika; Sharma, Amit","Imposed hydrophobic interactions by NaCl: accountable attribute for the synthesis of spiro[acenaphthylene-1,5′-pyrrolo[1,2-c]thiazole] derivatives via 1,3-dipolar cycloaddition reaction in aqueous medium","Green Chem.","2016","18","8","2488","","10.1039/C5GC02816G","","","0.71073","MoKα","","0.0756","0.0496","","","0.14","0.1625","","","","","","1.068","","","","has coordinates","182764","2020-10-21","18:00:00",""
"7223456","14.861","0.003","14.142","0.003","22.798","0.005","90","","106.37","0.03","90","","4597.1","1.8","293","2","293","2","","","","","","","","7","P 1 2/c 1","-P 2yc","13","","","","- C48 H46 As8 N18 Ni5 O43 V14 -","- C48 H36 As8 N18 Ni5 O43 V14 -","- C96 H72 As16 N36 Ni10 O86 V28 -","2","0.5","","Guo, Hai-Yang; Li, Zhi-Fang; Zhang, Xiao; Fu, Li-Wei; Hu, Yang-Yang; Guo, Lan-Lan; Cui, Xiao-Bing; Huo, Qi-Sheng; Xu, Ji-Qing","New self-assembly hybrid compounds based on arsenic‒vanadium clusters and transition metal mixed-organic-ligand complexes","CrystEngComm","2016","18","4","566","","10.1039/C5CE01983D","","","0.71073","MoKα","","0.1144","0.074","","","0.1909","0.2334","","","","","","1.004","","","","has coordinates","175946","2020-10-21","18:00:00",""
"7223457","13.80109","0.00015","23.8678","0.0002","27.1204","0.0002","90","","90","","90","","8933.5","0.14","293","2","293","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C46 H41 As8 N12 Ni2.5 O43 V14 -","- C46 H35 As8 N12 Ni2.5 O43 V14 -","- C184 H140 As32 N48 Ni10 O172 V56 -","4","1","","Guo, Hai-Yang; Li, Zhi-Fang; Zhang, Xiao; Fu, Li-Wei; Hu, Yang-Yang; Guo, Lan-Lan; Cui, Xiao-Bing; Huo, Qi-Sheng; Xu, Ji-Qing","New self-assembly hybrid compounds based on arsenic‒vanadium clusters and transition metal mixed-organic-ligand complexes","CrystEngComm","2016","18","4","566","","10.1039/C5CE01983D","","","0.71073","MoKα","","0.0497","0.0445","","","0.1273","0.1323","","","","","","1.043","","","","has coordinates","175946","2020-10-21","18:00:00",""
"7223458","12.169","0.002","16.057","0.003","40.244","0.008","90","","90","","90","","7864","3","293","2","293","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C42 H36 As8 N8 Ni2 O44 V14 -","- C42 H32 As8 N8 Ni2 O44 V14 -","- C168 H128 As32 N32 Ni8 O176 V56 -","4","1","","Guo, Hai-Yang; Li, Zhi-Fang; Zhang, Xiao; Fu, Li-Wei; Hu, Yang-Yang; Guo, Lan-Lan; Cui, Xiao-Bing; Huo, Qi-Sheng; Xu, Ji-Qing","New self-assembly hybrid compounds based on arsenic‒vanadium clusters and transition metal mixed-organic-ligand complexes","CrystEngComm","2016","18","4","566","","10.1039/C5CE01983D","","","0.71073","MoKα","","0.1534","0.0875","","","0.1915","0.2262","","","","","","1.055","","","","has coordinates","175946","2020-10-21","18:00:00",""
"7223459","15.5647","0.001","15.5647","0.001","38.904","0.005","90","","90","","90","","9424.9","1.5","296","2","296","2","","","","","","","","7","I 41/a","-I 4ad","88","","","","- C52 H58 As8 N16 Ni2 O49 V14 -","- C52 H44 As8 N16 Ni2 O49 V14 -","- C208 H176 As32 N64 Ni8 O196 V56 -","4","","","Guo, Hai-Yang; Li, Zhi-Fang; Zhang, Xiao; Fu, Li-Wei; Hu, Yang-Yang; Guo, Lan-Lan; Cui, Xiao-Bing; Huo, Qi-Sheng; Xu, Ji-Qing","New self-assembly hybrid compounds based on arsenic‒vanadium clusters and transition metal mixed-organic-ligand complexes","CrystEngComm","2016","18","4","566","","10.1039/C5CE01983D","","","0.71073","MoKα","","0.1694","0.0809","","","0.222","0.2892","","","","","","1.02","","","","has coordinates","175946","2020-10-21","18:00:00",""
"7223460","11.5263","0.0009","15.2606","0.0011","15.8895","0.0012","106.238","0.001","95.372","0.001","102.466","0.001","2584.6","0.3","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C68 H58 As8 Cd2 N12 O47 V14 -","- C68 H52 As8 Cd2 N12 O47 V14 -","- C68 H52 As8 Cd2 N12 O47 V14 -","1","0.5","","Guo, Hai-Yang; Li, Zhi-Fang; Zhang, Xiao; Fu, Li-Wei; Hu, Yang-Yang; Guo, Lan-Lan; Cui, Xiao-Bing; Huo, Qi-Sheng; Xu, Ji-Qing","New self-assembly hybrid compounds based on arsenic‒vanadium clusters and transition metal mixed-organic-ligand complexes","CrystEngComm","2016","18","4","566","","10.1039/C5CE01983D","","","0.71073","MoKα","","0.0801","0.0543","","","0.1548","0.1751","","","","","","1.073","","","","has coordinates","175946","2020-10-21","18:00:00",""
"7223461","12.541","0.002","12.565","0.002","14.238","0.003","83.592","0.002","79.184","0.003","81.137","0.002","2169.5","0.7","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C50 H50 As6 Cd4 N8 O55 V15 -","- C50 H40 As6 Cd4 N8 O55 V15 -","- C50 H40 As6 Cd4 N8 O55 V15 -","1","0.5","","Guo, Hai-Yang; Li, Zhi-Fang; Zhang, Xiao; Fu, Li-Wei; Hu, Yang-Yang; Guo, Lan-Lan; Cui, Xiao-Bing; Huo, Qi-Sheng; Xu, Ji-Qing","New self-assembly hybrid compounds based on arsenic‒vanadium clusters and transition metal mixed-organic-ligand complexes","CrystEngComm","2016","18","4","566","","10.1039/C5CE01983D","","","0.71073","MoKα","","0.1087","0.0967","","","0.2365","0.2426","","","","","","1.018","","","","has coordinates","175946","2020-10-21","18:00:00",""
"7223462","11.6254","0.0003","14.4554","0.0004","14.651","0.0004","99.363","0.002","97.293","0.002","91.069","0.002","2407.7","0.11","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C60 H52 As8 Co2 N12 O49 V14 -","- C60 H36 As8 Co2 N12 O49 V14 -","- C60 H36 As8 Co2 N12 O49 V14 -","1","0.5","","Guo, Hai-Yang; Li, Zhi-Fang; Zhang, Xiao; Fu, Li-Wei; Hu, Yang-Yang; Guo, Lan-Lan; Cui, Xiao-Bing; Huo, Qi-Sheng; Xu, Ji-Qing","New self-assembly hybrid compounds based on arsenic‒vanadium clusters and transition metal mixed-organic-ligand complexes","CrystEngComm","2016","18","4","566","","10.1039/C5CE01983D","","","0.71073","MoKα","","0.1005","0.0714","","","0.2029","0.2307","","","","","","1.024","","","","has coordinates","175946","2020-10-21","18:00:00",""
"7223463","14.4313","0.0005","13.2244","0.0006","7.5812","0.0003","90","","93.883","0.003","90","","1443.51","0.1","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C13 H13 Cu2.5 N7 -","- C13 H13 Cu2.5 N7 -","- C52 H52 Cu10 N28 -","4","1","","Hsu, Wayne; Thapa, Kedar Bahadur; Yang, Xiang-Kai; Chen, Kuan-Ting; Chang, Han-Yun; Chen, Jhy-Der","Dinitrogen-supported coordination polymers","CrystEngComm","2016","18","3","390","","10.1039/C5CE02127H","","","0.71073","MoKα","","0.0814","0.0364","","","0.0761","0.0915","","","","","","0.993","","","","has coordinates","175953","2020-10-21","18:00:00",""
"7223464","7.3329","0.0003","18.6223","0.0007","14.8934","0.0006","90","","101.642","0.002","90","","1991.94","0.14","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C14 H18 Cu3 N10 O -","- C14 H17 Cu3 N10 O -","- C56 H68 Cu12 N40 O4 -","4","1","","Hsu, Wayne; Thapa, Kedar Bahadur; Yang, Xiang-Kai; Chen, Kuan-Ting; Chang, Han-Yun; Chen, Jhy-Der","Dinitrogen-supported coordination polymers","CrystEngComm","2016","18","3","390","","10.1039/C5CE02127H","","","0.71073","MoKα","","0.1072","0.0536","","","0.1247","0.1476","","","","","","1.005","","","","has coordinates,has disorder","175953","2020-10-21","18:00:00",""
"7223470","8.785","0.006","20.81","0.014","34.48","0.02","90","","90","","90","","6303","7","293","","293","","","","","","","","","4","F d d d :2","-F 2uv 2vw","70","Sc2BDC3","catena-(tris(m4-Terephthalato)-di-scandium)","","- C12 H6 O6 Sc -","- C12 H6 O6 Sc -","- C192 H96 O96 Sc16 -","16","0.5","","McKellar, Scott C.; Sotelo, Jorge; Mowat, John P. S.; Wright, Paul A.; Moggach, Stephen A.","Perfluorocarbon liquid under pressure: a medium for gas delivery","CrystEngComm","2016","18","8","1273","","10.1039/C5CE01989C","","","0.71073","MoKα","","0.0449","0.0305","","0.0643","0.0594","0.0643","","","","","","0.9995","","","","has coordinates","177752","2020-10-21","18:00:00",""
"7223471","8.798","0.002","20.865","0.004","34.551","0.006","90","","90","","90","","6343","2","293","","293","","","","","","","","","4","F d d d :2","-F 2uv 2vw","70","Sc2BDC3","catena-(tris(m4-Terephthalato)-di-scandium)","","- C12 H6 O6 Sc -","- C12 H6 O6 Sc -","- C192 H96 O96 Sc16 -","16","0.5","","McKellar, Scott C.; Sotelo, Jorge; Mowat, John P. S.; Wright, Paul A.; Moggach, Stephen A.","Perfluorocarbon liquid under pressure: a medium for gas delivery","CrystEngComm","2016","18","8","1273","","10.1039/C5CE01989C","","","0.71073","MoKα","","0.0805","0.0491","","0.1114","0.0959","0.1114","","","","","","0.9315","","","","has coordinates","177752","2020-10-21","18:00:00",""
"7223472","8.7007","0.0013","34.271","0.003","11.0753","0.0012","90","","111.047","0.009","90","","3082.1","0.7","293","","293","","","","170000","","","","","4","C 1 2/c 1","-C 2yc","15","Sc2BDC3","catena-(tris(m4-Terephthalato)-di-scandium)","","- C12.56 H6 O7.125 Sc -","- C12 H6 O6 Sc -","- C96 H48 O48 Sc8 -","8","1","","McKellar, Scott C.; Sotelo, Jorge; Mowat, John P. S.; Wright, Paul A.; Moggach, Stephen A.","Perfluorocarbon liquid under pressure: a medium for gas delivery","CrystEngComm","2016","18","8","1273","","10.1039/C5CE01989C","","x-ray","0.71073","MoKα","","0.1632","0.1213","","0.3286","0.2927","0.3286","","","","","","0.9725","","","","has coordinates","177752","2020-10-21","18:00:00",""
"7223487","15.1612","0.0016","15.1612","0.0016","58.187","0.009","90","","90","","120","","11583","2","293","2","293","2","","","","","","","","6","R -3 c :H","-R 3 2""c","167","","","","- C72 H48 Ag3 Fe2 I7 N12 -","- C72 H48 Ag3 Fe2 I7 N12 -","- C432 H288 Ag18 Fe12 I42 N72 -","6","0.166667","","Lei, Xiao-Wu; Yue, Cheng-Yang; Feng, Li-Juan; Han, Yong-Fang; Meng, Rong-Rong; Yang, Jiang-Tao; Ding, Hao; Gao, Chuan-Sheng; Wang, Chun-Yan","Syntheses, crystal structures and photocatalytic properties of four hybrid iodoargentates with zero- and two-dimensional structures","CrystEngComm","2016","18","3","427","","10.1039/C5CE01669J","","","0.71073","MoKα","","0.0403","0.0375","","","0.1486","0.1518","","","","","","1.068","","","","has coordinates","175951","2020-10-21","18:00:00",""
"7223488","15.1789","0.0004","15.1789","0.0004","58.192","0.004","90","","90","","120","","11611.1","0.9","293","2","293","2","","","","","","","","6","R -3 c :H","-R 3 2""c","167","","","","- C72 H48 Ag3 I7 Mn2 N12 -","- C72 H48 Ag3 I7 Mn2 N12 -","- C432 H288 Ag18 I42 Mn12 N72 -","6","0.166667","","Lei, Xiao-Wu; Yue, Cheng-Yang; Feng, Li-Juan; Han, Yong-Fang; Meng, Rong-Rong; Yang, Jiang-Tao; Ding, Hao; Gao, Chuan-Sheng; Wang, Chun-Yan","Syntheses, crystal structures and photocatalytic properties of four hybrid iodoargentates with zero- and two-dimensional structures","CrystEngComm","2016","18","3","427","","10.1039/C5CE01669J","","","0.71073","MoKα","","0.0483","0.0435","","","0.1445","0.1493","","","","","","1.055","","","","has coordinates","175951","2020-10-21","18:00:00",""
"7223489","14.7523","0.0014","14.7794","0.0014","27.291","0.003","76.78","0.001","86.843","0.001","60.318","0.001","5020.6","0.9","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C36 H24 Ag5 I7 Mn N6 -","- C36 H24 Ag5 I7 Mn N6 -","- C144 H96 Ag20 I28 Mn4 N24 -","4","2","","Lei, Xiao-Wu; Yue, Cheng-Yang; Feng, Li-Juan; Han, Yong-Fang; Meng, Rong-Rong; Yang, Jiang-Tao; Ding, Hao; Gao, Chuan-Sheng; Wang, Chun-Yan","Syntheses, crystal structures and photocatalytic properties of four hybrid iodoargentates with zero- and two-dimensional structures","CrystEngComm","2016","18","3","427","","10.1039/C5CE01669J","","","0.71073","MoKα","","0.0883","0.052","","","0.1453","0.1623","","","","","","1.045","","","","has coordinates","175951","2020-10-21","18:00:00",""
"7223490","11.396","0.0014","18.948","0.002","23.015","0.003","100.441","0.001","94.951","0.001","100.227","0.001","4773.5","1","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C48 H56 Ag14 I22 N8 -","- C48 H56 Ag14 I22 N8 -","- C96 H112 Ag28 I44 N16 -","2","1","","Lei, Xiao-Wu; Yue, Cheng-Yang; Feng, Li-Juan; Han, Yong-Fang; Meng, Rong-Rong; Yang, Jiang-Tao; Ding, Hao; Gao, Chuan-Sheng; Wang, Chun-Yan","Syntheses, crystal structures and photocatalytic properties of four hybrid iodoargentates with zero- and two-dimensional structures","CrystEngComm","2016","18","3","427","","10.1039/C5CE01669J","","","0.71073","MoKα","","0.0627","0.0399","","","0.0915","0.1003","","","","","","1.023","","","","has coordinates","175951","2020-10-21","18:00:00",""
"7223491","17.2929","0.0007","17.2929","0.0007","19.8829","0.0012","90","","90","","90","","5945.9","0.5","180","0.2","180","0.2","","","","","","","","4","I 4/m","-I 4","87","CMF-1","","","- Cu6 Mo28 N2 O96 -","- Cu6 Mo28 N2 O96 -","- Cu12 Mo56 N4 O192 -","2","0.125","","Zhao, Yifang; Yuan, Youyou; Du, Xin; Lin, Xiaohuan; Liao, Fuhui; Xie, Jinglin; Lin, Jianhua; Sun, Junliang","Hydrothermal assembly of various dimensional pure-inorganic copper‒molybdenum frameworks","CrystEngComm","2016","18","4","521","","10.1039/C5CE02213D","","","0.7107","MoKα","","0.0586","0.0402","","","0.1012","0.1081","","","","","","1.03","","","","has coordinates","175948","2020-10-21","18:00:00",""
"7223492","10.3503","0.0004","10.3933","0.0004","15.1733","0.0006","76.113","0.004","75.04","0.004","62.687","0.004","1387","0.11","180","0.1","180","1","","","","","","","","3","P -1","-P 1","2","CMF-2","","","- Cu Mo7 O24 -","- Cu Mo7 O24 -","- Cu2 Mo14 O48 -","2","1","","Zhao, Yifang; Yuan, Youyou; Du, Xin; Lin, Xiaohuan; Liao, Fuhui; Xie, Jinglin; Lin, Jianhua; Sun, Junliang","Hydrothermal assembly of various dimensional pure-inorganic copper‒molybdenum frameworks","CrystEngComm","2016","18","4","521","","10.1039/C5CE02213D","","","0.7107","MoKα","","0.0478","0.0362","","","0.0821","0.0876","","","","","","1.011","","","","has coordinates","175948","2020-10-21","18:00:00",""
"7223493","10.4495","0.0007","19.2758","0.0009","13.2417","0.0008","90","","90","","90","","2667.2","0.3","180.01","0.13","180.01","0.13","","","","","","","","3","P n m a","-P 2ac 2n","62","CMF-3","","","- Cu Mo7 O24 -","- Cu Mo7 O24 -","- Cu4 Mo28 O96 -","4","0.5","","Zhao, Yifang; Yuan, Youyou; Du, Xin; Lin, Xiaohuan; Liao, Fuhui; Xie, Jinglin; Lin, Jianhua; Sun, Junliang","Hydrothermal assembly of various dimensional pure-inorganic copper‒molybdenum frameworks","CrystEngComm","2016","18","4","521","","10.1039/C5CE02213D","","","0.71073","MoKα","","0.0719","0.0532","","","0.1259","0.1347","","","","","","1.049","","","","has coordinates,has disorder","175948","2020-10-21","18:00:00",""
"7223504","19.953","0.007","9.495","0.004","25.805","0.01","90","","91.915","0.012","90","","4886","3","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C98 H79 N5 O28 Zn6 -","- C98 H79 N5 O28 Zn6 -","- C196 H158 N10 O56 Zn12 -","2","0.25","","Zhang, Chuanqi; Yan, Yan; Sun, Libo; Liang, Zhiqiang; Li, Jiyang","Solvent-induced construction of two zinc metal‒organic frameworks for highly selective detection of nitroaromatic explosives","CrystEngComm","2016","18","22","4102","","10.1039/C5CE02172C","","","0.71073","MoKα","","0.1493","0.0917","","","0.2528","0.2937","","","","","","1.047","","","","has coordinates","185165","2020-10-21","18:00:00",""
"7223505","16.7153","0.0008","8.4558","0.0004","35.4943","0.0017","90","","90","","90","","5016.8","0.4","296","2","296","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C26 H26 N2 O7 Zn -","- C26 H26 N2 O7 Zn -","- C208 H208 N16 O56 Zn8 -","8","1","","Zhang, Chuanqi; Yan, Yan; Sun, Libo; Liang, Zhiqiang; Li, Jiyang","Solvent-induced construction of two zinc metal‒organic frameworks for highly selective detection of nitroaromatic explosives","CrystEngComm","2016","18","22","4102","","10.1039/C5CE02172C","","","0.71073","MoKα","","0.0713","0.0462","","","0.0985","0.1079","","","","","","1.073","","","","has coordinates","185165","2020-10-21","18:00:00",""
"7223506","13.4199","0.0005","19.4201","0.0007","20.7033","0.0015","88.22","0.006","85.02","0.006","84.859","0.006","5352.1","0.5","100","","100","","","","","","","","","8","P -1","-P 1","2","","","","- C174 H170 Br8 Cl4 Dy4 N18 Ni4 O52 -","- C174 H170 Br8 Cl4 Dy4 N18 Ni4 O52 -","- C174 H170 Br8 Cl4 Dy4 N18 Ni4 O52 -","1","0.5","","Griffiths, Kieran; Dokorou, Vassiliki N.; Spencer, John; Abdul-Sada, Alaa; Vargas, Alfredo; Kostakis, George E.","Isoskeletal Schiff base polynuclear coordination clusters: synthetic and theoretical aspects","CrystEngComm","2016","18","5","704","","10.1039/C5CE02109J","","","0.71075","MoKα","","0.0603","0.048","","","0.1253","0.1312","","","","","","1.112","","","","has coordinates","175972","2020-10-21","18:00:00",""
"7223507","18.0377","0.0013","18.3422","0.0013","29.9","0.002","71.347","0.002","71.67","0.002","67.774","0.002","8462.6","1","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C82 H92 N4 Ni4 O22 -","- C78.5 H78 N4 Ni4 O18.5 -","- C314 H312 N16 Ni16 O74 -","4","2","","Griffiths, Kieran; Dokorou, Vassiliki N.; Spencer, John; Abdul-Sada, Alaa; Vargas, Alfredo; Kostakis, George E.","Isoskeletal Schiff base polynuclear coordination clusters: synthetic and theoretical aspects","CrystEngComm","2016","18","5","704","","10.1039/C5CE02109J","","","0.71075","MoKα","","0.0845","0.0643","","","0.175","0.1896","","","","","","1.049","","","","has coordinates","192220","2020-10-21","18:00:00",""
"7223508","12.1956","0.00019","19.3817","0.0006","20.2019","0.0007","90","","98.464","0.002","90","","4723.1","0.2","173","","173","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C92 H112 Cl2 Dy2 N4 Ni2 O30 -","- C92 H112 Cl2 Dy2 N4 Ni2 O30 -","- C184 H224 Cl4 Dy4 N8 Ni4 O60 -","2","0.5","","Griffiths, Kieran; Dokorou, Vassiliki N.; Spencer, John; Abdul-Sada, Alaa; Vargas, Alfredo; Kostakis, George E.","Isoskeletal Schiff base polynuclear coordination clusters: synthetic and theoretical aspects","CrystEngComm","2016","18","5","704","","10.1039/C5CE02109J","","x-ray","0.71073","MoKα","","0.0451","0.0322","","","0.0687","0.0755","","","","","","1.053","","","","has coordinates","175972","2020-10-21","18:00:00",""
"7223509","15.0768","0.0005","20.6499","0.0005","17.8256","0.0008","90","","103.01","0.004","90","","5407.3","0.3","173","","173","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C106 H122 Cl2 Dy2 N10 Ni2 O28 -","- C106 H122 Cl2 Dy2 N10 Ni2 O28 -","- C212 H244 Cl4 Dy4 N20 Ni4 O56 -","2","0.5","","Griffiths, Kieran; Dokorou, Vassiliki N.; Spencer, John; Abdul-Sada, Alaa; Vargas, Alfredo; Kostakis, George E.","Isoskeletal Schiff base polynuclear coordination clusters: synthetic and theoretical aspects","CrystEngComm","2016","18","5","704","","10.1039/C5CE02109J","","x-ray","0.71073","MoKα","","0.0491","0.0362","","","0.0816","0.0908","","","","","","1.065","","","","has coordinates","175972","2020-10-21","18:00:00",""
"7223510","10.4776","0.0004","21.3408","0.0008","14.3681","0.0005","90","","106.977","0.004","90","","3072.7","0.2","173","","173","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C62 H58 Dy2 N4 Ni2 O18 -","- C62 H58 Dy2 N4 Ni2 O18 -","- C124 H116 Dy4 N8 Ni4 O36 -","2","0.5","","Griffiths, Kieran; Dokorou, Vassiliki N.; Spencer, John; Abdul-Sada, Alaa; Vargas, Alfredo; Kostakis, George E.","Isoskeletal Schiff base polynuclear coordination clusters: synthetic and theoretical aspects","CrystEngComm","2016","18","5","704","","10.1039/C5CE02109J","","x-ray","1.54184","CuKα","","0.0899","0.0666","","","0.1672","0.1837","","","","","","0.99","","","","has coordinates,has disorder","175972","2020-10-21","18:00:00",""
"7223511","13.149","0.0009","13.62","0.001","15.4701","0.0011","68.869","0.005","65.65","0.004","63.614","0.004","2207.1","0.3","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C88 H76 Co2 Dy2 N14 O34 -","- C88 H76 Co2 Dy2 N14 O34 -","- C88 H76 Co2 Dy2 N14 O34 -","1","0.5","","Griffiths, Kieran; Dokorou, Vassiliki N.; Spencer, John; Abdul-Sada, Alaa; Vargas, Alfredo; Kostakis, George E.","Isoskeletal Schiff base polynuclear coordination clusters: synthetic and theoretical aspects","CrystEngComm","2016","18","5","704","","10.1039/C5CE02109J","","","0.71075","MoKα","","0.0859","0.0745","","","0.1889","0.1971","","","","","","1.078","","","","has coordinates,has disorder","175972","2020-10-21","18:00:00",""
"7223512","12.7821","0.0009","13.5743","0.001","14.1583","0.001","106.94","0.003","91.065","0.002","97.754","0.002","2324.2","0.3","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C94 H90 Co2 Dy2 N14 O32 -","- C94 H90 Co2 Dy2 N14 O32 -","- C94 H90 Co2 Dy2 N14 O32 -","1","0.5","","Griffiths, Kieran; Dokorou, Vassiliki N.; Spencer, John; Abdul-Sada, Alaa; Vargas, Alfredo; Kostakis, George E.","Isoskeletal Schiff base polynuclear coordination clusters: synthetic and theoretical aspects","CrystEngComm","2016","18","5","704","","10.1039/C5CE02109J","","","0.71075","MoKα","","0.0469","0.0427","","","0.1152","0.1197","","","","","","1.047","","","","has coordinates,has disorder","175972","2020-10-21","18:00:00",""
"7223513","16.5657","0.0012","17.6842","0.0012","18.4698","0.0013","81.572","0.002","80.148","0.002","83.02","0.002","5247.5","0.6","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C81 H69 Dy3 N24 O60 -","- C81 H69 Dy3 N24 O60 -","- C162 H138 Dy6 N48 O120 -","2","1","","Griffiths, Kieran; Dokorou, Vassiliki N.; Spencer, John; Abdul-Sada, Alaa; Vargas, Alfredo; Kostakis, George E.","Isoskeletal Schiff base polynuclear coordination clusters: synthetic and theoretical aspects","CrystEngComm","2016","18","5","704","","10.1039/C5CE02109J","","","0.71075","MoKα","","0.036","0.0314","","","0.0764","0.0797","","","","","","1.05","","","","has coordinates","175972","2020-10-21","18:00:00",""
"7223514","14.1586","0.0006","17.259","0.0007","22.3936","0.0008","98.527","0.003","98.268","0.003","111.403","0.004","4920.7","0.4","173","","173","","","","","","","","","6","P -1","-P 1","2","","","","- C181 H171 Dy4 N27 Ni4 O66 -","- C181 H171 Dy4 N27 Ni4 O66 -","- C181 H171 Dy4 N27 Ni4 O66 -","1","0.5","","Griffiths, Kieran; Dokorou, Vassiliki N.; Spencer, John; Abdul-Sada, Alaa; Vargas, Alfredo; Kostakis, George E.","Isoskeletal Schiff base polynuclear coordination clusters: synthetic and theoretical aspects","CrystEngComm","2016","18","5","704","","10.1039/C5CE02109J","","x-ray","0.71073","MoKα","","0.0618","0.0425","","","0.0968","0.1096","","","","","","1.053","","","","has coordinates,has disorder","175972","2020-10-21","18:00:00",""
"7223515","6.9697","0.0004","12.6645","0.0007","15.0866","0.0008","76.153","0.005","89.966","0.005","88.423","0.005","1292.45","0.13","173","","173","","","","","","","","","5","P -1","-P 1","2","","","","- C14 H11 Cl N2 O5 -","- C14 H11 Cl N2 O5 -","- C56 H44 Cl4 N8 O20 -","4","2","","Griffiths, Kieran; Dokorou, Vassiliki N.; Spencer, John; Abdul-Sada, Alaa; Vargas, Alfredo; Kostakis, George E.","Isoskeletal Schiff base polynuclear coordination clusters: synthetic and theoretical aspects","CrystEngComm","2016","18","5","704","","10.1039/C5CE02109J","","","1.54184","CuKα","","0.0593","0.0493","","","0.1324","0.1451","","","","","","1.054","","","","has coordinates","175972","2020-10-21","18:00:00",""
"7223516","7.5662","0.0004","8.5456","0.0004","14.8304","0.0008","84.747","0.004","84.775","0.004","82.09","0.004","942.79","0.08","173","","173","","","","","","","","","5","P -1","-P 1","2","","","","- C21 H20 Br N O4 -","- C21 H20 Br N O4 -","- C42 H40 Br2 N2 O8 -","2","1","","Griffiths, Kieran; Dokorou, Vassiliki N.; Spencer, John; Abdul-Sada, Alaa; Vargas, Alfredo; Kostakis, George E.","Isoskeletal Schiff base polynuclear coordination clusters: synthetic and theoretical aspects","CrystEngComm","2016","18","5","704","","10.1039/C5CE02109J","","x-ray","0.71073","MoKα","","0.0506","0.0373","","","0.0719","0.0768","","","","","","1.049","","","","has coordinates,has disorder","175972","2020-10-21","18:00:00",""
"7223517","18.8624","0.0005","17.03","0.0004","25.6461","0.0018","90","","108.353","0.008","90","","7819.2","0.7","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C36 H44 Co N5 O12 -","- C36 H44 Co N5 O12 -","- C288 H352 Co8 N40 O96 -","8","2","","Griffiths, Kieran; Dokorou, Vassiliki N.; Spencer, John; Abdul-Sada, Alaa; Vargas, Alfredo; Kostakis, George E.","Isoskeletal Schiff base polynuclear coordination clusters: synthetic and theoretical aspects","CrystEngComm","2016","18","5","704","","10.1039/C5CE02109J","","","0.71075","MoKα","","0.1216","0.0855","","","0.2181","0.2379","","","","","","1.054","","","","has coordinates,has disorder","175972","2020-10-21","18:00:00",""
"7223518","13.059","0.0008","22.7258","0.0011","15.4472","0.0013","90","","109.616","0.008","90","","4318.3","0.5","173","","173","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C45 H52 Br2 Co N3 O9 -","- C45 H52 Br2 Co N3 O9 -","- C180 H208 Br8 Co4 N12 O36 -","4","1","","Griffiths, Kieran; Dokorou, Vassiliki N.; Spencer, John; Abdul-Sada, Alaa; Vargas, Alfredo; Kostakis, George E.","Isoskeletal Schiff base polynuclear coordination clusters: synthetic and theoretical aspects","CrystEngComm","2016","18","5","704","","10.1039/C5CE02109J","","x-ray","0.71073","MoKα","","0.1023","0.059","","","0.1182","0.1402","","","","","","1.041","","","","has coordinates","175972","2020-10-21","18:00:00",""
"7223519","22.1776","0.0015","18.894","0.0011","27.8333","0.0011","90","","100.127","0.004","90","","11481.1","1.1","173","","173","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C120.5 H115 Cl5 Dy2 N4 Ni2 O20 -","- C120.5 H115 Cl5 Dy2 N4 Ni2 O20 -","- C482 H460 Cl20 Dy8 N16 Ni8 O80 -","4","0.5","","Griffiths, Kieran; Dokorou, Vassiliki N.; Spencer, John; Abdul-Sada, Alaa; Vargas, Alfredo; Kostakis, George E.","Isoskeletal Schiff base polynuclear coordination clusters: synthetic and theoretical aspects","CrystEngComm","2016","18","5","704","","10.1039/C5CE02109J","","","0.71073","MoKα","","0.1828","0.1138","","","0.2803","0.3192","","","","","","1.041","","","","has coordinates","175972","2020-10-21","18:00:00",""
"7223520","12.5403","0.0007","14.7915","0.001","18.88","0.002","100.291","0.008","106.198","0.007","105.143","0.005","3124.5","0.5","173","","173","","","","","","","","","7","P -1","-P 1","2","","","","- C122 H146 Cl2 Dy2 N14 Ni2 O30 -","- C122 H146 Cl2 Dy2 N14 Ni2 O30 -","- C122 H146 Cl2 Dy2 N14 Ni2 O30 -","1","0.5","","Griffiths, Kieran; Dokorou, Vassiliki N.; Spencer, John; Abdul-Sada, Alaa; Vargas, Alfredo; Kostakis, George E.","Isoskeletal Schiff base polynuclear coordination clusters: synthetic and theoretical aspects","CrystEngComm","2016","18","5","704","","10.1039/C5CE02109J","","x-ray","0.71073","MoKα","","0.0524","0.0437","","","0.107","0.1165","","","","","","1.083","","","","has coordinates,has disorder","175972","2020-10-21","18:00:00",""
"7223521","20.462","0.0007","20.8069","0.0007","27.3553","0.0007","90","","98.444","0.003","90","","11520.3","0.6","173","","173","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C112 H114 Br6 Dy2 N4 Ni2 O26 -","- C108 H102 Br6 Dy2 N4 Ni2 O24 -","- C432 H408 Br24 Dy8 N16 Ni8 O96 -","4","0.5","","Griffiths, Kieran; Dokorou, Vassiliki N.; Spencer, John; Abdul-Sada, Alaa; Vargas, Alfredo; Kostakis, George E.","Isoskeletal Schiff base polynuclear coordination clusters: synthetic and theoretical aspects","CrystEngComm","2016","18","5","704","","10.1039/C5CE02109J","","","0.71073","MoKα","","0.0746","0.0501","","","0.131","0.1431","","","","","","1.018","","","","has coordinates","175972","2020-10-21","18:00:00",""
"7223522","38.159","0.003","38.159","0.003","18.7654","0.0013","90","","90","","120","","23664","3","100","","100","","","","","","","","","6","R -3","-R 3","148","","","","- C122 H130 Dy2 N4 Ni2 O24 -","- C118 H118 Dy2 N4 Ni2 O22 -","- C1062 H1062 Dy18 N36 Ni18 O198 -","9","","","Griffiths, Kieran; Dokorou, Vassiliki N.; Spencer, John; Abdul-Sada, Alaa; Vargas, Alfredo; Kostakis, George E.","Isoskeletal Schiff base polynuclear coordination clusters: synthetic and theoretical aspects","CrystEngComm","2016","18","5","704","","10.1039/C5CE02109J","","","0.71075","MoKα","","0.0553","0.0408","","","0.1095","0.1157","","","","","","0.992","","","","has coordinates,has disorder","175972","2020-10-21","18:00:00",""
"7223523","15.8855","0.0006","17.2105","0.0011","20.5903","0.0011","90","","96.747","0.004","90","","5590.3","0.5","173","","173","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C102 H110 Cl2 Dy2 N10 Ni2 O26 -","- C102 H110 Cl2 Dy2 N10 Ni2 O26 -","- C204 H220 Cl4 Dy4 N20 Ni4 O52 -","2","0.5","","Griffiths, Kieran; Dokorou, Vassiliki N.; Spencer, John; Abdul-Sada, Alaa; Vargas, Alfredo; Kostakis, George E.","Isoskeletal Schiff base polynuclear coordination clusters: synthetic and theoretical aspects","CrystEngComm","2016","18","5","704","","10.1039/C5CE02109J","","x-ray","0.71073","MoKα","","0.0708","0.0464","","","0.1115","0.122","","","","","","1.075","","","","has coordinates,has disorder","175972","2020-10-21","18:00:00",""
"7223524","12.1724","0.0012","14.1352","0.0015","19.123","0.002","90","","99.425","0.011","90","","3245.9","0.6","173","","173","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C64 H72 Cl2 Dy2 N4 Ni2 O26 -","- C64 H72 Cl2 Dy2 N4 Ni2 O26 -","- C128 H144 Cl4 Dy4 N8 Ni4 O52 -","2","0.5","","Griffiths, Kieran; Dokorou, Vassiliki N.; Spencer, John; Abdul-Sada, Alaa; Vargas, Alfredo; Kostakis, George E.","Isoskeletal Schiff base polynuclear coordination clusters: synthetic and theoretical aspects","CrystEngComm","2016","18","5","704","","10.1039/C5CE02109J","","","0.71073","MoKα","","0.1319","0.065","","","0.0947","0.13","","","","","","0.872","","","","has coordinates","175972","2020-10-21","18:00:00",""
"7223525","16.6632","0.0004","18.8674","0.0003","15.7017","0.0003","90","","109.993","0.003","90","","4638.98","0.18","173","2","173","","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C82 H100 Dy2 F6 N12 Ni2 O26 S2 -","- C82 H100 Dy2 F6 N12 Ni2 O26 S2 -","- C164 H200 Dy4 F12 N24 Ni4 O52 S4 -","2","0.5","","Griffiths, Kieran; Dokorou, Vassiliki N.; Spencer, John; Abdul-Sada, Alaa; Vargas, Alfredo; Kostakis, George E.","Isoskeletal Schiff base polynuclear coordination clusters: synthetic and theoretical aspects","CrystEngComm","2016","18","5","704","","10.1039/C5CE02109J","","x-ray","0.71073","MoKα","","0.0501","0.0382","","","0.0885","0.0976","","","","","","1.039","","","","has coordinates","175972","2020-10-21","18:00:00",""
"7223526","10.947","0.002","11.0433","0.0016","17.924","0.004","99.305","0.015","96.75","0.017","90.261","0.013","2122.9","0.7","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C42 H30 Co3 N6 O12 S3 -","- C42 H30 Co3 N6 O12 S3 -","- C84 H60 Co6 N12 O24 S6 -","2","1","","Chisca, Diana; Croitor, Lilia; Coropceanu, Eduard B.; Petuhov, Oleg; Baca, Svetlana G.; Krämer, Karl; Liu, Shi-Xia; Decurtins, Silvio; Rivera-Jacquez, Hector J.; Masunov, Artëm E.; Fonari, Marina S.","From pink to blue and back to pink again: changing the Co(ii) ligation in a two-dimensional coordination network upon desolvation","CrystEngComm","2016","18","3","384","","10.1039/C5CE01581B","","","0.71073","MoKα","","0.3281","0.2028","","","0.4767","0.5315","","","","","","1.164","","","","has coordinates","175954","2020-10-21","18:00:00",""
"7223527","10.6132","0.0005","13.4256","0.0007","17.8366","0.0012","78.86","0.005","76.42","0.005","72.302","0.004","2333.1","0.2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C37 H47 Co2 N7 O14 S2 -","- C37 H47 Co2 N7 O14 S2 -","- C74 H94 Co4 N14 O28 S4 -","2","1","","Chisca, Diana; Croitor, Lilia; Coropceanu, Eduard B.; Petuhov, Oleg; Baca, Svetlana G.; Krämer, Karl; Liu, Shi-Xia; Decurtins, Silvio; Rivera-Jacquez, Hector J.; Masunov, Artëm E.; Fonari, Marina S.","From pink to blue and back to pink again: changing the Co(ii) ligation in a two-dimensional coordination network upon desolvation","CrystEngComm","2016","18","3","384","","10.1039/C5CE01581B","","","0.71073","MoKα","","0.0796","0.0623","","","0.1531","0.1623","","","","","","1.068","","","","has coordinates,has disorder","175954","2020-10-21","18:00:00",""
"7223528","10.5028","0.0002","13.3758","0.0003","17.9703","0.0003","78.0998","0.0015","75.4371","0.0016","71.7708","0.0018","2298.34","0.08","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C37 H47 Co2 N7 O14 S2 -","- C37 H47 Co2 N7 O14 S2 -","- C74 H94 Co4 N14 O28 S4 -","2","1","","Chisca, Diana; Croitor, Lilia; Coropceanu, Eduard B.; Petuhov, Oleg; Baca, Svetlana G.; Krämer, Karl; Liu, Shi-Xia; Decurtins, Silvio; Rivera-Jacquez, Hector J.; Masunov, Artëm E.; Fonari, Marina S.","From pink to blue and back to pink again: changing the Co(ii) ligation in a two-dimensional coordination network upon desolvation","CrystEngComm","2016","18","3","384","","10.1039/C5CE01581B","","","0.71073","MoKα","","0.0417","0.0361","","","0.0942","0.0976","","","","","","1.051","","","","has coordinates,has disorder","175954","2020-10-21","18:00:00",""
"7223529","26.232","0.007","26.232","0.007","26.232","0.007","90","","90","","90","","18051","8","298","2","296","2","","","","","","","","8","F m -3 m","-F 4 2 3","225","","","","- C92 H168 Cu12 Mo N5 O130 Si W11 -","- C80 H48.0048 Cu12 Mo0.9996 N2 O106 Si W11.0004 -","- C320 H192.019 Cu48 Mo3.9984 N8 O424 Si4 W44.0016 -","4","0.0208333","","Li, Chong; Sun, Minghui; Xu, Lin; Wang, Yuchao; Huang, Jiawei","The first heteropoly blue-embedded metal‒organic framework: crystal structure, magnetic property and proton conductivity","CrystEngComm","2016","18","4","596","","10.1039/C5CE02074C","","","0.71073","MoKα","","0.0801","0.0635","","","0.2109","0.233","","","","","","1.09","","","","has coordinates,has disorder","175949","2020-10-21","18:00:00",""
"7223530","15.6323","0.0007","14.7468","0.0007","14.4198","0.0007","90","","90","","90","","3324.1","0.3","183","2","183","2","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- C47 H39 N -","- C47 H39 N -","- C188 H156 N4 -","4","0.5","","Kuck, Dietmar; Linke, Jens; Teichmann, Lisa Christin; Barth, Dieter; Tellenbröker, Jörg; Gestmann, Detlef; Neumann, Beate; Stammler, Hans-Georg; Bögge, Hartmut","Centrohexaindane: six benzene rings mutually fixed in three dimensions - solid-state structure and six-fold nitration.","Physical chemistry chemical physics : PCCP","2016","18","17","11722","11737","10.1039/c5cp07005h","","","0.71073","MoKα","","0.066","0.0576","","","0.1515","0.1614","","","","","","1.047","","","","has coordinates,has disorder","182803","2020-10-21","18:00:00",""
"7223531","8.51239","0.00019","12.4653","0.0002","14.2625","0.0002","91.3139","0.0014","93.6817","0.0015","101.235","0.0017","1480.35","0.05","99.9","0.3","99.9","0.3","","","","","","","","3","P -1","-P 1","2","","centrohexaindane","","- C42 H25 Cl3 -","- C42 H25 Cl3 -","- C84 H50 Cl6 -","2","1","","Kuck, Dietmar; Linke, Jens; Teichmann, Lisa Christin; Barth, Dieter; Tellenbröker, Jörg; Gestmann, Detlef; Neumann, Beate; Stammler, Hans-Georg; Bögge, Hartmut","Centrohexaindane: six benzene rings mutually fixed in three dimensions - solid-state structure and six-fold nitration.","Physical chemistry chemical physics : PCCP","2016","18","17","11722","11737","10.1039/c5cp07005h","","x-ray","1.54184","CuKα","","0.0364","0.0353","","","0.0923","0.0933","","","","","","1.038","","","","has coordinates","182803","2020-10-21","18:00:00",""
"7223532","8.42","0.0001","14.384","0.0002","24.107","0.0003","90","","91.53","0.0009","90","","2918.64","0.06","100","2","100","2","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","","","","- C45 H29 -","- C45 H29 -","- C180 H116 -","4","1","","Kuck, Dietmar; Linke, Jens; Teichmann, Lisa Christin; Barth, Dieter; Tellenbröker, Jörg; Gestmann, Detlef; Neumann, Beate; Stammler, Hans-Georg; Bögge, Hartmut","Centrohexaindane: six benzene rings mutually fixed in three dimensions - solid-state structure and six-fold nitration.","Physical chemistry chemical physics : PCCP","2016","18","17","11722","11737","10.1039/c5cp07005h","","","0.71073","MoKα","","0.0654","0.0484","","","0.1204","0.1301","","","","","","1.054","","","","has coordinates","211179","2020-10-21","18:00:00",""
"7223540","9.1586","0.0007","9.5032","0.0007","13.9208","0.0008","95.383","0.003","91.851","0.002","107.7","0.004","1146.8","0.14","293","2","293","2","","","","","","","","5","P -1","-P 1","2","C15 H24 N4 O13.50 Sm","","","- C15 H24 N4 O13.5 Sm -","- C15 H13 N4 O13.5 Sm -","- C30 H26 N8 O27 Sm2 -","2","1","","Xiao, Yu; Wang, Shuai-Hua; Zheng, Fa-Kun; Wu, Mei-Feng; Xu, Ju; Liu, Zhi-Fa; Chen, Jun; Li, Rong; Guo, Guo-Cong","Excitation wavelength-induced color-tunable and white-light emissions in lanthanide(iii) coordination polymers constructed using an environment-dependent luminescent tetrazolate‒dicarboxylate ligand","CrystEngComm","2016","18","5","721","","10.1039/C5CE02140E","","","0.71073","MoKα","","0.0356","0.0307","","","0.073","0.0747","","","","","","1.001","","","","has coordinates","175969","2020-10-21","18:00:00",""
"7223541","9.1406","0.0009","9.4909","0.001","13.9426","0.0012","95.29","0.004","91.86","0.004","107.708","0.004","1145","0.19","293","2","293","2","","","","","","","","5","P -1","-P 1","2","C15 H24 Eu N4 O13.50","","","- C15 H24 Eu N4 O13.5 -","- C15 H13 Eu N4 O13.5 -","- C30 H26 Eu2 N8 O27 -","2","1","","Xiao, Yu; Wang, Shuai-Hua; Zheng, Fa-Kun; Wu, Mei-Feng; Xu, Ju; Liu, Zhi-Fa; Chen, Jun; Li, Rong; Guo, Guo-Cong","Excitation wavelength-induced color-tunable and white-light emissions in lanthanide(iii) coordination polymers constructed using an environment-dependent luminescent tetrazolate‒dicarboxylate ligand","CrystEngComm","2016","18","5","721","","10.1039/C5CE02140E","","","0.71073","MoKα","","0.0411","0.038","","","0.1006","0.1033","","","","","","1.057","","","","has coordinates","175969","2020-10-21","18:00:00",""
"7223542","9.0892","0.0004","9.4506","0.0006","13.922","0.0007","95.202","0.004","91.845","0.004","107.559","0.004","1133.23","0.11","293","2","293","2","","","","","","","","5","P -1","-P 1","2","C15 H24 Gd N4 O13.50","","","- C15 H24 Gd N4 O13.5 -","- C15 H13 Gd N4 O13.5 -","- C30 H26 Gd2 N8 O27 -","2","1","","Xiao, Yu; Wang, Shuai-Hua; Zheng, Fa-Kun; Wu, Mei-Feng; Xu, Ju; Liu, Zhi-Fa; Chen, Jun; Li, Rong; Guo, Guo-Cong","Excitation wavelength-induced color-tunable and white-light emissions in lanthanide(iii) coordination polymers constructed using an environment-dependent luminescent tetrazolate‒dicarboxylate ligand","CrystEngComm","2016","18","5","721","","10.1039/C5CE02140E","","","0.71073","MoKα","","0.038","0.0338","","","0.0822","0.0853","","","","","","1.003","","","","has coordinates","175969","2020-10-21","18:00:00",""
"7223543","9.117","0.002","9.474","0.002","13.956","0.003","95.423","0.005","91.643","0.004","107.538","0.005","1142.2","0.4","293","2","293","2","","","","","","","","6","P -1","-P 1","2","C15 H24 N4 O13.50 Eu0.12 Gd0.88","","","- C15 H24 Eu0.12 Gd0.88 N4 O13.5 -","- C15 H13 Eu0.12 Gd0.88 N4 O13.5 -","- C30 H26 Eu0.24 Gd1.76 N8 O27 -","2","1","","Xiao, Yu; Wang, Shuai-Hua; Zheng, Fa-Kun; Wu, Mei-Feng; Xu, Ju; Liu, Zhi-Fa; Chen, Jun; Li, Rong; Guo, Guo-Cong","Excitation wavelength-induced color-tunable and white-light emissions in lanthanide(iii) coordination polymers constructed using an environment-dependent luminescent tetrazolate‒dicarboxylate ligand","CrystEngComm","2016","18","5","721","","10.1039/C5CE02140E","","","0.71073","MoKα","","0.0239","0.0216","","","0.0619","0.0633","","","","","","1.044","","","","has coordinates","175969","2020-10-21","18:00:00",""
"7223544","11.8801","0.0011","13.7323","0.0017","13.9872","0.0019","84.567","0.011","79.104","0.009","79.225","0.009","2197.1","0.5","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C54 H36 N4 O13 Zn -","- C54 H36 N4 O13 Zn -","- C108 H72 N8 O26 Zn2 -","2","1","","Shao, Yong-Liang; Cui, Yan-Hui; Gu, Jin-Zhong; Wu, Jiang; Wang, Ya-Wen; Kirillov, Alexander M.","Exploring biphenyl-2,4,4′-tricarboxylic acid as a flexible building block for the hydrothermal self-assembly of diverse metal‒organic and supramolecular networks","CrystEngComm","2016","18","5","765","","10.1039/C5CE02254A","","","0.71073","MoKα","","0.1717","0.077","","","0.1251","0.1885","","","","","","1.015","","","","has coordinates","175971","2020-10-21","18:00:00",""
"7223545","8.0674","0.001","9.264","0.0015","13.4563","0.0018","72.758","0.013","83.095","0.011","82.579","0.012","948.9","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C42 H30 Co N8 O12 -","- C42 H30 Co N8 O12 -","- C42 H30 Co N8 O12 -","1","0.5","","Shao, Yong-Liang; Cui, Yan-Hui; Gu, Jin-Zhong; Wu, Jiang; Wang, Ya-Wen; Kirillov, Alexander M.","Exploring biphenyl-2,4,4′-tricarboxylic acid as a flexible building block for the hydrothermal self-assembly of diverse metal‒organic and supramolecular networks","CrystEngComm","2016","18","5","765","","10.1039/C5CE02254A","","","0.71","MoKα","","0.1322","0.0791","","","0.1877","0.2333","","","","","","1.032","","","","has coordinates","175971","2020-10-21","18:00:00",""
"7223546","8.0767","0.0004","9.4789","0.0008","13.3988","0.0011","73.886","0.007","83.844","0.005","80.81","0.006","970.69","0.13","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C42 H30 Cd N8 O12 -","- C42 H30 Cd N8 O12 -","- C42 H30 Cd N8 O12 -","1","0.5","","Shao, Yong-Liang; Cui, Yan-Hui; Gu, Jin-Zhong; Wu, Jiang; Wang, Ya-Wen; Kirillov, Alexander M.","Exploring biphenyl-2,4,4′-tricarboxylic acid as a flexible building block for the hydrothermal self-assembly of diverse metal‒organic and supramolecular networks","CrystEngComm","2016","18","5","765","","10.1039/C5CE02254A","","","0.71","MoKα","","0.1015","0.0597","","","0.1188","0.1428","","","","","","1.061","","","","has coordinates","175971","2020-10-21","18:00:00",""
"7223547","14.4","0.002","13.9197","0.0017","17.1576","0.0019","90","","90","","90","","3439.1","0.7","293","2","293","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C39 H30 N4 Ni O9 -","- C39 H30 N4 Ni O9 -","- C156 H120 N16 Ni4 O36 -","4","1","","Shao, Yong-Liang; Cui, Yan-Hui; Gu, Jin-Zhong; Wu, Jiang; Wang, Ya-Wen; Kirillov, Alexander M.","Exploring biphenyl-2,4,4′-tricarboxylic acid as a flexible building block for the hydrothermal self-assembly of diverse metal‒organic and supramolecular networks","CrystEngComm","2016","18","5","765","","10.1039/C5CE02254A","","","0.71","MoKα","","0.1888","0.0937","","","0.1745","0.2294","","","","","","1.001","","","","has coordinates","175971","2020-10-21","18:00:00",""
"7223548","20.3729","0.0006","9.7388","0.0003","17.7787","0.0006","90","","90","","90","","3527.43","0.19","293","2","293","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C39 H23 Cd2 Cl N4 O6 -","- C39 H23 Cd2 Cl N4 O6 -","- C156 H92 Cd8 Cl4 N16 O24 -","4","1","","Shao, Yong-Liang; Cui, Yan-Hui; Gu, Jin-Zhong; Wu, Jiang; Wang, Ya-Wen; Kirillov, Alexander M.","Exploring biphenyl-2,4,4′-tricarboxylic acid as a flexible building block for the hydrothermal self-assembly of diverse metal‒organic and supramolecular networks","CrystEngComm","2016","18","5","765","","10.1039/C5CE02254A","","","0.71073","MoKα","","0.0685","0.0515","","","0.1234","0.1411","","","","","","1.042","","","","has coordinates","175971","2020-10-21","18:00:00",""
"7223549","20.505","0.002","10.3482","0.0009","29.521","0.004","90","","113.518","0.015","90","","5743.7","1.3","293.64","0.1","293.64","0.1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C49 H42 N4 Ni3 O16 -","- C49 H42 N4 Ni3 O16 -","- C196 H168 N16 Ni12 O64 -","4","0.5","","Shao, Yong-Liang; Cui, Yan-Hui; Gu, Jin-Zhong; Wu, Jiang; Wang, Ya-Wen; Kirillov, Alexander M.","Exploring biphenyl-2,4,4′-tricarboxylic acid as a flexible building block for the hydrothermal self-assembly of diverse metal‒organic and supramolecular networks","CrystEngComm","2016","18","5","765","","10.1039/C5CE02254A","","x-ray","0.71073","MoKα","","0.1558","0.0837","","","0.1803","0.2257","","","","","","0.933","","","","has coordinates,has disorder","175971","2020-10-21","18:00:00",""
"7223550","20.6","0.005","10.4271","0.0011","29.646","0.005","90","","113.51","0.02","90","","5839","2","297.16","0.1","297.16","0.1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C60 H52 Co3 N6 O16 -","- C60 H52 Co3 N6 O16 -","- C240 H208 Co12 N24 O64 -","4","0.5","","Shao, Yong-Liang; Cui, Yan-Hui; Gu, Jin-Zhong; Wu, Jiang; Wang, Ya-Wen; Kirillov, Alexander M.","Exploring biphenyl-2,4,4′-tricarboxylic acid as a flexible building block for the hydrothermal self-assembly of diverse metal‒organic and supramolecular networks","CrystEngComm","2016","18","5","765","","10.1039/C5CE02254A","","x-ray","0.71073","MoKα","","0.1608","0.0829","","","0.168","0.2278","","","","","","1.041","","","","has coordinates,has disorder","175971","2020-10-21","18:00:00",""
"7223551","12.058","0.0007","12.3182","0.0006","15.3976","0.0008","67.945","0.005","88.887","0.004","80.778","0.004","2090.2","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C40 H33 Co3.5 N2 O17 -","- C40 H33 Co3.5 N2 O17 -","- C80 H66 Co7 N4 O34 -","2","1","","Shao, Yong-Liang; Cui, Yan-Hui; Gu, Jin-Zhong; Wu, Jiang; Wang, Ya-Wen; Kirillov, Alexander M.","Exploring biphenyl-2,4,4′-tricarboxylic acid as a flexible building block for the hydrothermal self-assembly of diverse metal‒organic and supramolecular networks","CrystEngComm","2016","18","5","765","","10.1039/C5CE02254A","","","0.71073","MoKα","","0.1173","0.0704","","","0.1741","0.2193","","","","","","1.022","","","","has coordinates","175971","2020-10-21","18:00:00",""
"7223552","13.48481","0.00014","12.1638","0.00014","17.6457","0.0002","90","","95.1954","0.001","90","","2882.47","0.06","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C30 H18 O14 Pb3 -","- C30 H18 O14 Pb3 -","- C120 H72 O56 Pb12 -","4","1","","Shao, Yong-Liang; Cui, Yan-Hui; Gu, Jin-Zhong; Wu, Jiang; Wang, Ya-Wen; Kirillov, Alexander M.","Exploring biphenyl-2,4,4′-tricarboxylic acid as a flexible building block for the hydrothermal self-assembly of diverse metal‒organic and supramolecular networks","CrystEngComm","2016","18","5","765","","10.1039/C5CE02254A","","","1.54184","CuKα","","0.0432","0.0287","","","0.0493","0.052","","","","","","0.965","","","","has coordinates","175971","2020-10-21","18:00:00",""
"7223553","10.8302","0.0004","33.4895","0.0016","13.8319","0.0006","90","","99.191","0.004","90","","4952.4","0.4","293","2","293","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C84 H72 N8 O19 S24 -","- C84 H56 N8 O19 S24 -","- C168 H112 N16 O38 S48 -","2","0.5","","Xue, Li-Jun; Huo, Peng; Li, Yan-Hong; Hou, Jin-Le; Zhu, Qin-Yu; Dai, Jie","An ionic charge-transfer dyad prepared cost-effectively from a tetrathiafulvalene carboxylate anion and a TMPyP cation.","Physical chemistry chemical physics : PCCP","2016","18","4","2940","2948","10.1039/c5cp06141e","","","1.54184","CuKα","","0.1281","0.0837","","","0.1767","0.1966","","","","","","1.182","","","","has coordinates,has disorder","176202","2020-10-21","18:00:00",""
"7223554","23.6681","0.0008","22.0587","0.0006","13.2272","0.0004","90","","111.589","0.003","90","","6421.3","0.4","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C64 H52 N8 O21 S8 -","- C64 H52 N8 O21 S8 -","- C256 H208 N32 O84 S32 -","4","0.5","","Xue, Li-Jun; Huo, Peng; Li, Yan-Hong; Hou, Jin-Le; Zhu, Qin-Yu; Dai, Jie","An ionic charge-transfer dyad prepared cost-effectively from a tetrathiafulvalene carboxylate anion and a TMPyP cation.","Physical chemistry chemical physics : PCCP","2016","18","4","2940","2948","10.1039/c5cp06141e","","","0.71073","MoKα","","0.0516","0.0401","","","0.1063","0.1157","","","","","","1.034","","","","has coordinates","176202","2020-10-21","18:00:00",""
"7223579","15.2164","0.0012","13.1809","0.001","29.309","0.002","90","","92.577","0.003","90","","5872.4","0.8","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C60 H74 N8 O5 S4 -","- C60 H70 N8 O5 S4 -","- C240 H280 N32 O20 S16 -","4","1","","Ovsyannikov, A. S.; Noamane, M. H.; Abidi, R.; Ferlay, S.; Solovieva, S. E.; Antipin, I. S.; Konovalov, A. I.; Kyritsakas, N.; Hosseini, M. W.","Molecular tectonics: dimensionality and geometry control of silver coordination networks based on pyrazolyl appended thiacalixarenes","CrystEngComm","2016","18","5","691","","10.1039/C5CE02310F","","","0.71073","MoKα","","0.1732","0.1114","","","0.2497","0.2668","","","","","","1.124","","","","has coordinates,has disorder","175967","2020-10-21","18:00:00",""
"7223580","26.6378","0.0006","12.7707","0.0003","19.6019","0.0004","90","","115.002","0.001","90","","6043.4","0.2","173","2","173","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C60 H72 N8 S8 -","- C60 H72 N8 S8 -","- C240 H288 N32 S32 -","4","0.5","","Ovsyannikov, A. S.; Noamane, M. H.; Abidi, R.; Ferlay, S.; Solovieva, S. E.; Antipin, I. S.; Konovalov, A. I.; Kyritsakas, N.; Hosseini, M. W.","Molecular tectonics: dimensionality and geometry control of silver coordination networks based on pyrazolyl appended thiacalixarenes","CrystEngComm","2016","18","5","691","","10.1039/C5CE02310F","","","0.71073","MoKα","","0.068","0.0479","","","0.1393","0.1568","","","","","","1.004","","","","has coordinates","175967","2020-10-21","18:00:00",""
"7223581","18.8461","0.0013","19.0515","0.0011","19.1473","0.001","99.994","0.003","113.12","0.002","115.126","0.0017","5224.5","0.6","173","2","173","2","","","","","","","","9","P -1","-P 1","2","","","","- C143 H187 Ag4 Cl21 F24 N16 O2 S16 Sb4 -","- C143 H183 Ag4 Cl21 F24 N16 O2 S16 Sb4 -","- C143 H183 Ag4 Cl21 F24 N16 O2 S16 Sb4 -","1","0.5","","Ovsyannikov, A. S.; Noamane, M. H.; Abidi, R.; Ferlay, S.; Solovieva, S. E.; Antipin, I. S.; Konovalov, A. I.; Kyritsakas, N.; Hosseini, M. W.","Molecular tectonics: dimensionality and geometry control of silver coordination networks based on pyrazolyl appended thiacalixarenes","CrystEngComm","2016","18","5","691","","10.1039/C5CE02310F","","","0.71073","MoKα","","0.099","0.0713","","","0.2203","0.2441","","","","","","1.08","","","","has coordinates,has disorder","175967","2020-10-21","18:00:00",""
"7223582","36.0428","0.001","12.4438","0.0003","20.2117","0.0007","90","","121.056","0.0017","90","","7765.8","0.4","173","2","173","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C34 H46 Ag N5 O4 S4 -","- C34 H46 Ag N5 O4 S4 -","- C272 H368 Ag8 N40 O32 S32 -","8","1","","Ovsyannikov, A. S.; Noamane, M. H.; Abidi, R.; Ferlay, S.; Solovieva, S. E.; Antipin, I. S.; Konovalov, A. I.; Kyritsakas, N.; Hosseini, M. W.","Molecular tectonics: dimensionality and geometry control of silver coordination networks based on pyrazolyl appended thiacalixarenes","CrystEngComm","2016","18","5","691","","10.1039/C5CE02310F","","","0.71073","MoKα","","0.0819","0.0573","","","0.1489","0.165","","","","","","1.048","","","","has coordinates","175967","2020-10-21","18:00:00",""
"7223583","15.6888","0.0004","17.4322","0.0005","17.6605","0.0005","80.598","0.001","76.588","0.001","71.025","0.001","4422.6","0.2","173","2","173","2","","","","","","","","8","P -1","-P 1","2","","","","- C66 H82 Ag2 Cl6 F12 N8 S8 Sb2 -","- C66 H82 Ag2 Cl6 F12 N8 S8 Sb2 -","- C132 H164 Ag4 Cl12 F24 N16 S16 Sb4 -","2","1","","Ovsyannikov, A. S.; Noamane, M. H.; Abidi, R.; Ferlay, S.; Solovieva, S. E.; Antipin, I. S.; Konovalov, A. I.; Kyritsakas, N.; Hosseini, M. W.","Molecular tectonics: dimensionality and geometry control of silver coordination networks based on pyrazolyl appended thiacalixarenes","CrystEngComm","2016","18","5","691","","10.1039/C5CE02310F","","","0.71073","MoKα","","0.0973","0.0646","","","0.1905","0.2215","","","","","","1.034","","","","has coordinates,has disorder","175967","2020-10-21","18:00:00",""
"7223584","24.958","0.003","24.958","0.003","13.8496","0.0019","90","","90","","90","","8626.9","1.9","173","2","173","2","","","","","","","","8","I -4 2 d","I -4 2bw","122","","","","- C30 H42 Ag F6 N4 O3 S4 Sb -","- C30 H36 Ag F6 N4 O3 S4 Sb -","- C240 H288 Ag8 F48 N32 O24 S32 Sb8 -","8","0.5","","Ovsyannikov, A. S.; Noamane, M. H.; Abidi, R.; Ferlay, S.; Solovieva, S. E.; Antipin, I. S.; Konovalov, A. I.; Kyritsakas, N.; Hosseini, M. W.","Molecular tectonics: dimensionality and geometry control of silver coordination networks based on pyrazolyl appended thiacalixarenes","CrystEngComm","2016","18","5","691","","10.1039/C5CE02310F","","","0.71073","MoKα","","0.1457","0.1092","","","0.3064","0.332","","","","","","1.005","","","","has coordinates","175967","2020-10-21","18:00:00",""
"7223585","24.2538","0.0009","24.2538","0.0009","13.6809","0.0005","90","","90","","90","","8047.7","0.5","173","2","173","2","","","","","","","","8","I -4 2 d","I -4 2bw","122","","","","- C30 H42 Ag F6 N4 O3 P S4 -","- C30 H36 Ag F6 N4 O3 P S4 -","- C240 H288 Ag8 F48 N32 O24 P8 S32 -","8","0.5","","Ovsyannikov, A. S.; Noamane, M. H.; Abidi, R.; Ferlay, S.; Solovieva, S. E.; Antipin, I. S.; Konovalov, A. I.; Kyritsakas, N.; Hosseini, M. W.","Molecular tectonics: dimensionality and geometry control of silver coordination networks based on pyrazolyl appended thiacalixarenes","CrystEngComm","2016","18","5","691","","10.1039/C5CE02310F","","","0.71073","MoKα","","0.0535","0.0495","","","0.1563","0.1644","","","","","","1.009","","","","has coordinates","175967","2020-10-21","18:00:00",""
"7223586","16.0983","0.0005","16.0983","0.0005","54.7728","0.0015","90","","90","","90","","14194.7","0.7","173","2","173","2","","","","","","","","8","I 41/a","-I 4ad","88","","","","- C60 H74 Ag2 B2 F8 N8 O S8 -","- C60 H72 Ag2 B2 F8 N8 O S8 -","- C480 H576 Ag16 B16 F64 N64 O8 S64 -","8","","","Ovsyannikov, A. S.; Noamane, M. H.; Abidi, R.; Ferlay, S.; Solovieva, S. E.; Antipin, I. S.; Konovalov, A. I.; Kyritsakas, N.; Hosseini, M. W.","Molecular tectonics: dimensionality and geometry control of silver coordination networks based on pyrazolyl appended thiacalixarenes","CrystEngComm","2016","18","5","691","","10.1039/C5CE02310F","","","0.71073","MoKα","","0.1221","0.0796","","","0.2152","0.2376","","","","","","1.078","","","","has coordinates","175967","2020-10-21","18:00:00",""
"7223587","24.4165","0.0008","24.4165","0.0008","13.7457","0.0004","90","","90","","90","","8194.7","0.4","173","2","173","2","","","","","","","","8","I -4 2 d","I -4 2bw","122","","","","- C30 H42 Ag As F6 N4 O3 S4 -","- C30 H36 Ag As F6 N4 O3 S4 -","- C240 H288 Ag8 As8 F48 N32 O24 S32 -","8","0.5","","Ovsyannikov, A. S.; Noamane, M. H.; Abidi, R.; Ferlay, S.; Solovieva, S. E.; Antipin, I. S.; Konovalov, A. I.; Kyritsakas, N.; Hosseini, M. W.","Molecular tectonics: dimensionality and geometry control of silver coordination networks based on pyrazolyl appended thiacalixarenes","CrystEngComm","2016","18","5","691","","10.1039/C5CE02310F","","","0.71073","MoKα","","0.0602","0.0485","","","0.1444","0.1516","","","","","","1.008","","","","has coordinates","175967","2020-10-21","18:00:00",""
"7223588","16.8948","0.0003","14.6737","0.0003","30.1055","0.0006","90","","90.706","0.001","90","","7462.9","0.3","173","2","173","2","","","","","","","","9","P 1 21/c 1","-P 2ybc","14","","","","- C69 H89 Ag Cl3 F6 N8 O4 S4 Sb -","- C69 H89 Ag Cl3 F6 N8 O4 S4 Sb -","- C276 H356 Ag4 Cl12 F24 N32 O16 S16 Sb4 -","4","1","","Ovsyannikov, A. S.; Noamane, M. H.; Abidi, R.; Ferlay, S.; Solovieva, S. E.; Antipin, I. S.; Konovalov, A. I.; Kyritsakas, N.; Hosseini, M. W.","Molecular tectonics: dimensionality and geometry control of silver coordination networks based on pyrazolyl appended thiacalixarenes","CrystEngComm","2016","18","5","691","","10.1039/C5CE02310F","","","0.71073","MoKα","","0.0806","0.0591","","","0.1543","0.1704","","","","","","1.023","","","","has coordinates","175967","2020-10-21","18:00:00",""
"7223589","22.7969","0.0011","17.2741","0.0008","19.4952","0.0009","90","","103.786","0.0009","90","","7456","0.6","173","2","173","2","","","","","","","","8","C 1 c 1","C -2yc","9","","","","- C68 H94 Ag B F4 N8 O7 S4 -","- C68 H88 Ag B F4 N8 O7 S4 -","- C272 H352 Ag4 B4 F16 N32 O28 S16 -","4","1","","Ovsyannikov, A. S.; Noamane, M. H.; Abidi, R.; Ferlay, S.; Solovieva, S. E.; Antipin, I. S.; Konovalov, A. I.; Kyritsakas, N.; Hosseini, M. W.","Molecular tectonics: dimensionality and geometry control of silver coordination networks based on pyrazolyl appended thiacalixarenes","CrystEngComm","2016","18","5","691","","10.1039/C5CE02310F","","","0.71073","MoKα","","0.1232","0.0829","","","0.2117","0.2471","","","","","","1.022","","","","has coordinates","175967","2020-10-21","18:00:00",""
"7223590","34.813","0.003","20.6402","0.0019","16.304","0.0015","90","","102.678","0.001","90","","11429.6","1.8","150","","150","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","cageAg3PF6","","","- C110 H140 Ag3 F18 N12 O12 P3 -","- C102 H124 Ag3 F18 N12 O8 P3 -","- C408 H496 Ag12 F72 N48 O32 P12 -","4","1","","Tominaga, Masahide; Kawaguchi, Taichi; Ohara, Kazuaki; Yamaguchi, Kentaro; Masu, Hyuma; Azumaya, Isao","Synthesis and crystal structures of twisted three-dimensional assemblies of adamantane-bridged tris-NHC ligands and AgI","CrystEngComm","2016","18","2","266","","10.1039/C5CE01860A","","","0.71073","MoKα","","0.1336","0.0707","","","0.1916","0.2158","","","","","","0.959","","","","has coordinates,has disorder","171670","2020-10-21","18:00:00",""
"7223591","19.0224","0.0007","15.7764","0.0007","38.4287","0.0015","90","","102.187","0.002","90","","11272.7","0.8","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C16 H16 Ag0.4 F2.4 N1.73 O0.53 P0.4 -","- C16 H16 Ag0.4 F2.4 N1.73333 O0.533333 P0.4 -","- C480 H480 Ag12 F72 N52 O16 P12 -","30","7.5","","Tominaga, Masahide; Kawaguchi, Taichi; Ohara, Kazuaki; Yamaguchi, Kentaro; Masu, Hyuma; Azumaya, Isao","Synthesis and crystal structures of twisted three-dimensional assemblies of adamantane-bridged tris-NHC ligands and AgI","CrystEngComm","2016","18","2","266","","10.1039/C5CE01860A","","","1.54178","CuKα","","0.0719","0.0532","","","0.1322","0.1438","","","","","","1.009","","","","has coordinates,has disorder","171670","2020-10-21","18:00:00",""
"7223596","10.5124","0.0003","10.558","0.0003","20.3568","0.0007","90","","97.39","0.003","90","","2240.63","0.12","296","2","296","2","","","","","","","","3","C 1 c 1","C -2yc","9","","(1,2,2-triiodovinyl)benzene","","- C8 H5 I3 -","- C8 H5 I3 -","- C64 H40 I24 -","8","2","","Berger, G.; Robeyns, K.; Soubhye, J.; Wintjens, R.; Meyer, F.","Halogen bonding in a multi-connected 1,2,2-triiodo-alkene involving geminal and/or vicinal iodines: a crystallographic and DFT study","CrystEngComm","2016","18","5","683","","10.1039/C5CE02230D","","","0.71073","MoKα","","0.0777","0.0726","","","0.2182","0.2233","","","","","","1.056","","","","has coordinates,has disorder","175968","2020-10-21","18:00:00",""
"7223597","10.8729","0.0004","13.4826","0.0005","14.3867","0.0005","87.715","0.001","69.113","0.001","72.445","0.001","1873.23","0.12","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C48 H58 Cu3 Mo8 N12 O50 -","- C48 H32 Cu3 Mo8 N12 O50 -","- C48 H32 Cu3 Mo8 N12 O50 -","1","0.5","","Wang, Xiuli; Liu, Danna; Lin, Hongyan; Liu, Guocheng; Wang, Xiang; Le, Mao; Rong, Xing","pH, solvent and metal ion induced octamolybdate-based metal‒organic complexes decorated with a pyridyl-carboxylate ligand containing an amide group","CrystEngComm","2016","18","6","888","","10.1039/C5CE02297E","","","0.71073","MoKα","","0.0341","0.028","","","0.0746","0.0772","","","","","","1.048","","","","has coordinates","175957","2020-10-21","18:00:00",""
"7223598","9.9421","0.0005","10.2311","0.0005","11.0928","0.0005","84.353","0.001","89.574","0.001","88.018","0.001","1122.19","0.09","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C12 H10 Cu Mo4 N3 O17 -","- C12 H8 Cu Mo4 N3 O17 -","- C24 H16 Cu2 Mo8 N6 O34 -","2","1","","Wang, Xiuli; Liu, Danna; Lin, Hongyan; Liu, Guocheng; Wang, Xiang; Le, Mao; Rong, Xing","pH, solvent and metal ion induced octamolybdate-based metal‒organic complexes decorated with a pyridyl-carboxylate ligand containing an amide group","CrystEngComm","2016","18","6","888","","10.1039/C5CE02297E","","","0.71073","MoKα","","0.0282","0.0243","","","0.0637","0.0654","","","","","","1.064","","","","has coordinates","175957","2020-10-21","18:00:00",""
"7223599","12.1956","0.0009","12.8736","0.001","14.2679","0.0011","81.879","0.002","71.871","0.001","76.485","0.001","2064.2","0.3","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C48 H50 Co3 Mo8 N12 O46 -","- C48 H32 Co3 Mo8 N12 O46 -","- C48 H32 Co3 Mo8 N12 O46 -","1","0.5","","Wang, Xiuli; Liu, Danna; Lin, Hongyan; Liu, Guocheng; Wang, Xiang; Le, Mao; Rong, Xing","pH, solvent and metal ion induced octamolybdate-based metal‒organic complexes decorated with a pyridyl-carboxylate ligand containing an amide group","CrystEngComm","2016","18","6","888","","10.1039/C5CE02297E","","","0.71073","MoKα","","0.0384","0.0306","","","0.0791","0.0823","","","","","","1.046","","","","has coordinates","175957","2020-10-21","18:00:00",""
"7223600","11.443","0.002","12.452","0.003","15.01","0.003","71.585","0.01","84.083","0.01","68.386","0.01","1886.3","0.7","100","","100","","","","","","","","","7","P -1","-P 1","2","","","","- C38 H48 Cl Cu N4 O S2 -","- C38 H48 Cl Cu N4 O S2 -","- C76 H96 Cl2 Cu2 N8 O2 S4 -","2","1","","Barman, Milan Kr.; Sinha, Ashish Kumar; Nembenna, Sharanappa","An efficient and recyclable thiourea-supported copper(i) chloride catalyst for azide‒alkyne cycloaddition reactions","Green Chem.","2016","18","8","2534","","10.1039/C5GC02545A","","","0.71069","MoKα","","0.0516","0.037","","","0.0919","0.1012","","","","","","1.018","","","","has coordinates","182761","2020-10-21","18:00:00",""
"7223607","7.3305","0.0002","10.614","0.0003","11.3269","0.0003","67.359","0.001","80.119","0.001","81.565","0.001","798.16","0.04","290","2","290","2","","","","","","","","4","P -1","-P 1","2","5-carboxyethyl-4-[4ethoxy(oxo)acetyl]-1-phenyl-1H-pyrazol","5-carboxyethyl-4-[4ethoxy(oxo)acetyl]-1-phenyl-1H-pyrazol","","- C16 H16 N2 O5 -","- C16 H16 N2 O5 -","- C32 H32 N4 O10 -","2","1","","da Silva, Michael J. V.; Silva, Raí G. M.; Melo, Ulisses Z.; Gonçalves, Davana S.; Back, Davi F.; Moura, Sidnei; Pontes, Rodrigo M.; Basso, Ernani A.; Gauze, Gisele F.; Rosa, Fernanda A.","Theoretical and experimental investigation of the polyeletrophilic β-enamino diketone: straightforward and highly regioselective synthesis of 1,4,5-trisubstituted pyrazoles and pyrazolo[3,4-d]pyridazinones","RSC Adv.","2016","6","1","290","","10.1039/C5RA12968K","","","0.71073","MoKα","","0.0558","0.0462","","","0.128","0.1378","","","","","","1.039","","","","has coordinates","171719","2020-10-21","18:00:00",""
"7223612","16.5478","0.001","16.5478","0.0012","12.4353","0.0015","90","","90","","120","","2949","0.5","173","2","173","2","","","","","","","","5","P 61 2 2","P 61 2 (0 0 5)","178","","","","- C16 H15 Ag2 N3 O6 -","- C16 H15 Ag2 N3 O6 -","- C96 H90 Ag12 N18 O36 -","6","0.5","","Zhang, Ting; Huang, Hua-Qi; Cheng, Xiao-Yue; Guo, Dong; Mei, Hong-Xin; Huang, Rong-Bin; Zheng, Lan-Sun","The synthesis and chiral crystal structures of two enantiomers of a Ag helical coordination polymer based on argentophilicity","CrystEngComm","2016","18","5","670","","10.1039/C5CE01948F","","","0.71073","MoKα","","0.0618","0.056","","","0.1504","0.1542","","","","","","1.097","","","","has coordinates","175966","2020-10-21","18:00:00",""
"7223613","16.5272","0.0005","16.5272","0.0005","12.7024","0.0005","90","","90","","120","","3004.8","0.17","293","2","293","2","","","","","","","","5","P 65 2 2","P 65 2 (0 0 1)","179","","","","- C16 H15 Ag2 N3 O6 -","- C16 H15 Ag2 N3 O6 -","- C96 H90 Ag12 N18 O36 -","6","0.5","","Zhang, Ting; Huang, Hua-Qi; Cheng, Xiao-Yue; Guo, Dong; Mei, Hong-Xin; Huang, Rong-Bin; Zheng, Lan-Sun","The synthesis and chiral crystal structures of two enantiomers of a Ag helical coordination polymer based on argentophilicity","CrystEngComm","2016","18","5","670","","10.1039/C5CE01948F","","","1.54184","CuKα","","0.0557","0.0467","","","0.1433","0.1525","","","","","","1.112","","","","has coordinates","175966","2020-10-21","18:00:00",""
"7223614","8.3971","0.0002","8.3248","0.0003","9.1806","0.0003","90","","91.672","0.003","90","","641.49","0.03","123","","123","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C5 H4 I N O -","- C5 H4 I N O -","- C20 H16 I4 N4 O4 -","4","1","","Puttreddy, Rakesh; Beyeh, Ngong Kodiah; Rissanen, Kari","Inclusion complexes of Cethyl-2-methylresorcinarene and pyridine N-oxides: breaking the C‒I⋯−O‒N+halogen bond by host‒guest complexation","CrystEngComm","2016","18","5","793","","10.1039/C5CE02354H","","x-ray","0.71073","MoKα","","0.0313","0.0278","","","0.0692","0.0724","","","","","","1.072","","","","has coordinates","175970","2020-10-21","18:00:00",""
"7223615","12.4821","0.0003","15.644","0.0005","23.8049","0.0007","95.809","0.003","99.751","0.002","106.037","0.002","4348.9","0.2","120","0.1","120","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C45 H58 I N O12 -","- C45 H58 I N O12 -","- C180 H232 I4 N4 O48 -","4","2","","Puttreddy, Rakesh; Beyeh, Ngong Kodiah; Rissanen, Kari","Inclusion complexes of Cethyl-2-methylresorcinarene and pyridine N-oxides: breaking the C‒I⋯−O‒N+halogen bond by host‒guest complexation","CrystEngComm","2016","18","5","793","","10.1039/C5CE02354H","","x-ray","1.54184","CuKα","","0.1009","0.0722","","","0.1809","0.2095","","","","","","1.04","","","","has coordinates","175970","2020-10-21","18:00:00",""
"7223616","12.559","0.003","24.734","0.005","14.682","0.003","90","","90.28","0.03","90","","4560.7","1.7","170","","170","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C52 H62 N2 O10 -","- C52 H62 N2 O10 -","- C208 H248 N8 O40 -","4","1","","Puttreddy, Rakesh; Beyeh, Ngong Kodiah; Rissanen, Kari","Inclusion complexes of Cethyl-2-methylresorcinarene and pyridine N-oxides: breaking the C‒I⋯−O‒N+halogen bond by host‒guest complexation","CrystEngComm","2016","18","5","793","","10.1039/C5CE02354H","","","0.71073","MoKα","","0.1197","0.0624","","","0.1372","0.1622","","","","","","1.014","","","","has coordinates","175970","2020-10-21","18:00:00",""
"7223617","11.929","0.002","12.698","0.003","17.705","0.004","76.17","0.03","75.84","0.03","84.38","0.03","2522.8","1","170","","170","","","","","","","","","4","P -1","-P 1","2","","","","- C107 H135 N4 O23 -","- C107 H135 N4 O23 -","- C107 H135 N4 O23 -","1","0.5","","Puttreddy, Rakesh; Beyeh, Ngong Kodiah; Rissanen, Kari","Inclusion complexes of Cethyl-2-methylresorcinarene and pyridine N-oxides: breaking the C‒I⋯−O‒N+halogen bond by host‒guest complexation","CrystEngComm","2016","18","5","793","","10.1039/C5CE02354H","","","0.71073","MoKα","","0.1659","0.0979","","","0.2502","0.2987","","","","","","1.031","","","","has coordinates,has disorder","175970","2020-10-21","18:00:00",""
"7223618","9.136","0.0018","11.097","0.002","22.784","0.005","92.12","0.03","96.27","0.03","103.65","0.03","2226.5","0.8","170","","170","","","","","","","","","4","P -1","-P 1","2","","","","- C48 H63 N O12 -","- C48 H63 N O12 -","- C96 H126 N2 O24 -","2","1","","Puttreddy, Rakesh; Beyeh, Ngong Kodiah; Rissanen, Kari","Inclusion complexes of Cethyl-2-methylresorcinarene and pyridine N-oxides: breaking the C‒I⋯−O‒N+halogen bond by host‒guest complexation","CrystEngComm","2016","18","5","793","","10.1039/C5CE02354H","","","0.71073","MoKα","","0.0733","0.0534","","","0.1222","0.133","","","","","","1.023","","","","has coordinates,has disorder","175970","2020-10-21","18:00:00",""
"7223619","12.672","0.003","24.549","0.005","16.932","0.003","90","","103.57","0.03","90","","5120.2","1.9","170","","170","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C52 H78 N2 O14 -","- C52 H78 N2 O14 -","- C208 H312 N8 O56 -","4","1","","Puttreddy, Rakesh; Beyeh, Ngong Kodiah; Rissanen, Kari","Inclusion complexes of Cethyl-2-methylresorcinarene and pyridine N-oxides: breaking the C‒I⋯−O‒N+halogen bond by host‒guest complexation","CrystEngComm","2016","18","5","793","","10.1039/C5CE02354H","","","0.71073","MoKα","","0.1217","0.0743","","","0.1897","0.2168","","","","","","1.031","","","","has coordinates,has disorder","175970","2020-10-21","18:00:00",""
"7223620","11.126","0.002","11.135","0.002","11.58","0.002","64.26","0.03","64.9","0.03","89.98","0.03","1140.1","0.6","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H23 N2 O5 S -","- C26 H23 N2 O5 S -","- C52 H46 N4 O10 S2 -","2","1","","Zhou, Qing-Fa; Ge, Fei-Fei; Chen, Qing-Qing; Lu, Tao","Construction of pyrazolo[5,1-a]isoindol-8(3aH)-one derivatives via phosphine-catalyzed cyclization of electron-deficient alkynes and N-amino substituted phthalimide","RSC Adv.","2016","6","2","1395","","10.1039/C5RA17267E","","","0.71073","MoKα","","0.1526","0.0695","","","0.1456","0.1852","","","","","","1","","","","has coordinates","171745","2020-10-21","18:00:00",""
"7223621","9.706","0.0008","9.8389","0.0009","20.4971","0.0018","91.899","0.001","92.021","0.001","109.147","0.002","1845.9","0.3","298","2","298.15","","","","","","","","","5","P -1","-P 1","2","","","","- C46 H32 Co N4 O8 -","- C46 H32 Co N4 O8 -","- C92 H64 Co2 N8 O16 -","2","1","","Mu, Bao; Huang, Ru-Dan","A series of coordination polymers with tuned terphenyl tetracarboxylates and bis-pyridyl ligands with different flexibilities manifesting fluorescence properties and photocatalytic activities","CrystEngComm","2016","18","6","986","","10.1039/C5CE02174J","","","0.71073","MoKα","","0.1126","0.0472","","","0.0755","0.0853","","","","","","0.9893","","","","has coordinates","175956","2020-10-21","18:00:00",""
"7223622","9.2805","0.0007","10.7128","0.0008","17.9162","0.0015","103.41","0.002","102.141","0.002","94.265","0.001","1679.6","0.2","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C38 H32 Co2 N4 O9 -","- C38 H32 Co2 N4 O9 -","- C76 H64 Co4 N8 O18 -","2","1","","Mu, Bao; Huang, Ru-Dan","A series of coordination polymers with tuned terphenyl tetracarboxylates and bis-pyridyl ligands with different flexibilities manifesting fluorescence properties and photocatalytic activities","CrystEngComm","2016","18","6","986","","10.1039/C5CE02174J","","","0.71073","MoKα","","0.0987","0.0523","","","0.0769","0.0839","","","","","","0.984","","","","has coordinates","175956","2020-10-21","18:00:00",""
"7223623","6.615","0.0005","10.2951","0.0009","14.1409","0.0012","111.3","0.002","92.619","0.001","96.173","0.001","888.3","0.13","298","2","298.15","","","","","","","","","5","P -1","-P 1","2","","","","- C38 H32 Co N4 O12 -","- C38 H32 Co N4 O12 -","- C38 H32 Co N4 O12 -","1","0.5","","Mu, Bao; Huang, Ru-Dan","A series of coordination polymers with tuned terphenyl tetracarboxylates and bis-pyridyl ligands with different flexibilities manifesting fluorescence properties and photocatalytic activities","CrystEngComm","2016","18","6","986","","10.1039/C5CE02174J","","","0.71073","MoKα","","0.0721","0.0531","","","0.1251","0.1368","","","","","","0.9988","","","","has coordinates,has disorder","175956","2020-10-21","18:00:00",""
"7223624","9.3587","0.0007","9.74","0.0008","10.5441","0.0009","68.781","0.001","64.02","0.001","88.873","0.002","794.29","0.11","293","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C34 H30 N2 Ni O12 -","- C34 H30 N2 Ni O12 -","- C34 H30 N2 Ni O12 -","1","0.5","","Mu, Bao; Huang, Ru-Dan","A series of coordination polymers with tuned terphenyl tetracarboxylates and bis-pyridyl ligands with different flexibilities manifesting fluorescence properties and photocatalytic activities","CrystEngComm","2016","18","6","986","","10.1039/C5CE02174J","","","0.71073","MoKα","","0.0702","0.0509","","","0.0898","0.1034","","","","","","1.046","","","","has coordinates","175956","2020-10-21","18:00:00",""
"7223625","8.952","0.0007","10.1019","0.0009","10.887","0.002","90.87","0.001","104.28","0.001","111.042","0.002","884.61","0.19","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C19 H15 N2 Ni O4 -","- C19 H15 N2 Ni O4 -","- C38 H30 N4 Ni2 O8 -","2","1","","Mu, Bao; Huang, Ru-Dan","A series of coordination polymers with tuned terphenyl tetracarboxylates and bis-pyridyl ligands with different flexibilities manifesting fluorescence properties and photocatalytic activities","CrystEngComm","2016","18","6","986","","10.1039/C5CE02174J","","","0.71073","MoKα","","0.1491","0.0862","","","0.1758","0.1906","","","","","","0.996","","","","has coordinates","175956","2020-10-21","18:00:00",""
"7223626","8.051","0.0008","10.0389","0.0009","18.4301","0.0015","87.918","0.002","79.934","0.001","87.256","0.002","1464.4","0.2","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C34 H26 Cd N2 O10 -","- C34 H26 Cd N2 O10 -","- C68 H52 Cd2 N4 O20 -","2","1","","Mu, Bao; Huang, Ru-Dan","A series of coordination polymers with tuned terphenyl tetracarboxylates and bis-pyridyl ligands with different flexibilities manifesting fluorescence properties and photocatalytic activities","CrystEngComm","2016","18","6","986","","10.1039/C5CE02174J","","","0.71073","MoKα","","0.1118","0.0983","","","0.2609","0.2766","","","","","","1.079","","","","has coordinates","175956","2020-10-21","18:00:00",""
"7223627","11.105","0.0011","19.2931","0.0016","15.0216","0.0011","90","","125.643","0.005","90","","2615.5","0.4","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C30 H20 Cd2 N2 O10 -","- C30 H20 Cd2 N2 O10 -","- C120 H80 Cd8 N8 O40 -","4","1","","Mu, Bao; Huang, Ru-Dan","A series of coordination polymers with tuned terphenyl tetracarboxylates and bis-pyridyl ligands with different flexibilities manifesting fluorescence properties and photocatalytic activities","CrystEngComm","2016","18","6","986","","10.1039/C5CE02174J","","","0.71073","MoKα","","0.1531","0.081","","","0.1595","0.1776","","","","","","1.028","","","","has coordinates","175956","2020-10-21","18:00:00",""
"7223633","21.2904","0.0004","21.2904","0.0004","19.3576","0.0007","90","","90","","90","","8774.4","0.4","296","2","296","2","","","","","","","","5","P 42/n :2","-P 4bc","86","","","","- C83 H75 Eu4 N O37 -","- C83 H75 Eu4 N O37 -","- C332 H300 Eu16 N4 O148 -","4","0.5","","Zhao, Jie; Wang, Xin; Zhao, Jing; Luo, Rui; Shen, Xuan; Zhu, Dunru; Jing, Su","[Ln4@Ln4] matryoshka tetrahedron: a novel secondary building unit","CrystEngComm","2016","18","6","863","","10.1039/C5CE02417J","","","0.71073","MoKα","","0.0478","0.0306","","","0.0723","0.0778","","","","","","1.048","","","","has coordinates,has disorder","175964","2020-10-21","18:00:00",""
"7223634","21.2232","0.0006","21.2232","0.0006","19.346","0.0011","90","","90","","90","","8713.9","0.6","150","2","150","2","","","","","","","","5","P 42/n :2","-P 4bc","86","","","","- C83 H75 Gd4 N O37 -","- C83 H75 Gd4 N O37 -","- C332 H300 Gd16 N4 O148 -","4","0.5","","Zhao, Jie; Wang, Xin; Zhao, Jing; Luo, Rui; Shen, Xuan; Zhu, Dunru; Jing, Su","[Ln4@Ln4] matryoshka tetrahedron: a novel secondary building unit","CrystEngComm","2016","18","6","863","","10.1039/C5CE02417J","","","0.71073","MoKα","","0.0438","0.0329","","","0.0825","0.0874","","","","","","1.071","","","","has coordinates,has disorder","175964","2020-10-21","18:00:00",""
"7223635","21.1619","0.0009","21.1619","0.0009","19.2599","0.0015","90","","90","","90","","8625.1","0.8","150","2","150","2","","","","","","","","5","P 42/n :2","-P 4bc","86","","","","- C83 H75 Dy4 N O37 -","- C83 H75 Dy4 N O37 -","- C332 H300 Dy16 N4 O148 -","4","0.5","","Zhao, Jie; Wang, Xin; Zhao, Jing; Luo, Rui; Shen, Xuan; Zhu, Dunru; Jing, Su","[Ln4@Ln4] matryoshka tetrahedron: a novel secondary building unit","CrystEngComm","2016","18","6","863","","10.1039/C5CE02417J","","","0.71073","MoKα","","0.0568","0.0366","","","0.085","0.0917","","","","","","1.033","","","","has coordinates,has disorder","175964","2020-10-21","18:00:00",""
"7223636","8.8422","0.0014","20.71","0.004","18.256","0.003","90","","111.944","0.01","90","","3100.9","1","296.15","","296.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C34 H26 Br Eu N4 O10 -","- C34 H26 Br Eu N4 O10 -","- C136 H104 Br4 Eu4 N16 O40 -","4","1","","Xu, Cong; Kirillov, Alexander M.; Shu, Yubo; Liu, Yan; Guo, Lirong; Yang, Lizi; Dou, Wei; Liu, Wei; Chen, Chunyang; Huang, Xin; Zhang, Jiayao; Liu, Weisheng","Photoluminescence enhancement induced by a halide anion encapsulation in a series of novel lanthanide(iii) coordination polymers","CrystEngComm","2016","18","7","1190","","10.1039/C5CE01901J","","","0.71073","MoKα","","0.1052","0.0492","","","0.077","0.0917","","","","","","0.964","","","","has coordinates","177734","2020-10-21","18:00:00",""
"7223637","8.8847","0.0013","20.515","0.003","18.2437","0.0018","90","","111.624","0.005","90","","3091.2","0.7","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C34 H26 Br0.5 Cl0.5 Eu N4 O10 -","- C34 H26 Br0.5 Cl0.5 Eu N4 O10 -","- C136 H104 Br2 Cl2 Eu4 N16 O40 -","4","1","","Xu, Cong; Kirillov, Alexander M.; Shu, Yubo; Liu, Yan; Guo, Lirong; Yang, Lizi; Dou, Wei; Liu, Wei; Chen, Chunyang; Huang, Xin; Zhang, Jiayao; Liu, Weisheng","Photoluminescence enhancement induced by a halide anion encapsulation in a series of novel lanthanide(iii) coordination polymers","CrystEngComm","2016","18","7","1190","","10.1039/C5CE01901J","","","0.71073","MoKα","","0.0865","0.0562","","","0.1379","0.1564","","","","","","1.066","","","","has coordinates","177734","2020-10-21","18:00:00",""
"7223638","8.8828","0.0008","20.4075","0.0016","18.1897","0.0015","90","","111.389","0.005","90","","3070.2","0.5","296.15","","296.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C34 H26 Cl Eu N4 O10 -","- C34 H26 Cl Eu N4 O10 -","- C136 H104 Cl4 Eu4 N16 O40 -","4","1","","Xu, Cong; Kirillov, Alexander M.; Shu, Yubo; Liu, Yan; Guo, Lirong; Yang, Lizi; Dou, Wei; Liu, Wei; Chen, Chunyang; Huang, Xin; Zhang, Jiayao; Liu, Weisheng","Photoluminescence enhancement induced by a halide anion encapsulation in a series of novel lanthanide(iii) coordination polymers","CrystEngComm","2016","18","7","1190","","10.1039/C5CE01901J","","","0.71073","MoKα","","0.1571","0.0762","","","0.1439","0.1777","","","","","","1.013","","","","has coordinates","177734","2020-10-21","18:00:00",""
"7223639","8.86","0.005","20.463","0.011","18.141","0.008","90","","111.41","0.02","90","","3062","3","296","","296","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C34 H26 Cl N4 O10 Tb -","- C34 H26 Cl N4 O10 Tb -","- C136 H104 Cl4 N16 O40 Tb4 -","4","1","","Xu, Cong; Kirillov, Alexander M.; Shu, Yubo; Liu, Yan; Guo, Lirong; Yang, Lizi; Dou, Wei; Liu, Wei; Chen, Chunyang; Huang, Xin; Zhang, Jiayao; Liu, Weisheng","Photoluminescence enhancement induced by a halide anion encapsulation in a series of novel lanthanide(iii) coordination polymers","CrystEngComm","2016","18","7","1190","","10.1039/C5CE01901J","","","0.71073","MoKα","","0.0632","0.0404","","","0.0863","0.0949","","","","","","1.026","","","","has coordinates","177734","2020-10-21","18:00:00",""
"7223640","8.844","0.0012","20.509","0.003","18.1951","0.0018","90","","111.645","0.005","90","","3067.5","0.7","296","","296","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C34 H26 Br0.5 Cl0.5 N4 O10 Tb -","- C34 H26 Br0.5 Cl0.5 N4 O10 Tb -","- C136 H104 Br2 Cl2 N16 O40 Tb4 -","4","1","","Xu, Cong; Kirillov, Alexander M.; Shu, Yubo; Liu, Yan; Guo, Lirong; Yang, Lizi; Dou, Wei; Liu, Wei; Chen, Chunyang; Huang, Xin; Zhang, Jiayao; Liu, Weisheng","Photoluminescence enhancement induced by a halide anion encapsulation in a series of novel lanthanide(iii) coordination polymers","CrystEngComm","2016","18","7","1190","","10.1039/C5CE01901J","","","0.71073","MoKα","","0.0585","0.0459","","","0.1228","0.132","","","","","","1.059","","","","has coordinates","177734","2020-10-21","18:00:00",""
"7223641","23.6157","0.0017","9.9206","0.0007","27.2126","0.0017","90","","96.51","0.004","90","","6334.3","0.8","296","2","296.15","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C34 H26 Br N4 O10 Tb -","- C34 H26 Br N4 O10 Tb -","- C272 H208 Br8 N32 O80 Tb8 -","8","1","","Xu, Cong; Kirillov, Alexander M.; Shu, Yubo; Liu, Yan; Guo, Lirong; Yang, Lizi; Dou, Wei; Liu, Wei; Chen, Chunyang; Huang, Xin; Zhang, Jiayao; Liu, Weisheng","Photoluminescence enhancement induced by a halide anion encapsulation in a series of novel lanthanide(iii) coordination polymers","CrystEngComm","2016","18","7","1190","","10.1039/C5CE01901J","","","0.71073","MoKα","","0.0628","0.035","","","0.0643","0.0734","","","","","","0.999","","","","has coordinates","177734","2020-10-21","18:00:00",""
"7223642","8.8072","0.0006","20.3895","0.0018","18.0976","0.0018","90","","110.985","0.007","90","","3034.3","0.5","295.06","0.1","295.06","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C34 H26 Cl Gd N4 O10 -","- C34 H26 Cl Gd N4 O10 -","- C136 H104 Cl4 Gd4 N16 O40 -","4","1","","Xu, Cong; Kirillov, Alexander M.; Shu, Yubo; Liu, Yan; Guo, Lirong; Yang, Lizi; Dou, Wei; Liu, Wei; Chen, Chunyang; Huang, Xin; Zhang, Jiayao; Liu, Weisheng","Photoluminescence enhancement induced by a halide anion encapsulation in a series of novel lanthanide(iii) coordination polymers","CrystEngComm","2016","18","7","1190","","10.1039/C5CE01901J","","x-ray","0.71073","MoKα","","0.0916","0.0654","","","0.151","0.1694","","","","","","1.092","","","","has coordinates","177734","2020-10-21","18:00:00",""
"7223643","8.7794","0.0004","20.4692","0.0008","18.1663","0.0007","90","","111.26","0.004","90","","3042.4","0.2","295.06","0.1","295.06","0.1","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C34 H26 Br0.5 Cl0.5 Gd N4 O10 -","- C34 H26 Br0.5 Cl0.5 Gd N4 O10 -","- C136 H104 Br2 Cl2 Gd4 N16 O40 -","4","1","","Xu, Cong; Kirillov, Alexander M.; Shu, Yubo; Liu, Yan; Guo, Lirong; Yang, Lizi; Dou, Wei; Liu, Wei; Chen, Chunyang; Huang, Xin; Zhang, Jiayao; Liu, Weisheng","Photoluminescence enhancement induced by a halide anion encapsulation in a series of novel lanthanide(iii) coordination polymers","CrystEngComm","2016","18","7","1190","","10.1039/C5CE01901J","","x-ray","0.71","MoKα","","0.0803","0.0585","","","0.1326","0.153","","","","","","1.051","","","","has coordinates","177734","2020-10-21","18:00:00",""
"7223644","8.865","0.013","20.83","0.03","18.31","0.03","90","","111.81","0.06","90","","3139","8","293","2","296.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C34 H26 Br Gd N4 O10 -","- C34 H26 Br Gd N4 O10 -","- C136 H104 Br4 Gd4 N16 O40 -","4","1","","Xu, Cong; Kirillov, Alexander M.; Shu, Yubo; Liu, Yan; Guo, Lirong; Yang, Lizi; Dou, Wei; Liu, Wei; Chen, Chunyang; Huang, Xin; Zhang, Jiayao; Liu, Weisheng","Photoluminescence enhancement induced by a halide anion encapsulation in a series of novel lanthanide(iii) coordination polymers","CrystEngComm","2016","18","7","1190","","10.1039/C5CE01901J","","","0.71073","MoKα","","0.0864","0.0478","","","0.1003","0.1174","","","","","","1.009","","","","has coordinates","177734","2020-10-21","18:00:00",""
"7223645","9.8308","0.0005","12.7386","0.0005","14.0472","0.0006","80.597","0.004","84.851","0.004","88.345","0.004","1728.32","0.14","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C28 H20 Cl4 N16 O Zn3 -","- C28 H20 Cl4 N16 O Zn3 -","- C56 H40 Cl8 N32 O2 Zn6 -","2","1","","Yao, Peng-Fei; Liu, Han-Fu; Huang, Fu-Ping; Feng, Fang-lin; Qin, Xiao-Huan; Huang, Mei-Li; Yu, Qing; Bian, He-Dong","A family of Zn(ii)/Cd(ii) halide systems incorporating 5,5′-di(pyridin-2-yl)-3,3′-bi(1,2,4-triazole)","CrystEngComm","2016","18","6","938","","10.1039/C5CE02236C","","","0.7107","MoKα","","0.1083","0.0575","","","0.0753","0.0917","","","","","","0.973","","","","has coordinates","175965","2020-10-21","18:00:00",""
"7223646","8.481","0.0004","17.5518","0.0005","18.3575","0.0005","90","","90","","90","","2732.64","0.17","293","2","293","2","","","","","","","","5","P b c m","-P 2c 2b","57","","","","- C20 H8 Cl3 N9 Zn2 -","- C20 H8 Cl3 N9 Zn2 -","- C80 H32 Cl12 N36 Zn8 -","4","0.5","","Yao, Peng-Fei; Liu, Han-Fu; Huang, Fu-Ping; Feng, Fang-lin; Qin, Xiao-Huan; Huang, Mei-Li; Yu, Qing; Bian, He-Dong","A family of Zn(ii)/Cd(ii) halide systems incorporating 5,5′-di(pyridin-2-yl)-3,3′-bi(1,2,4-triazole)","CrystEngComm","2016","18","6","938","","10.1039/C5CE02236C","","","0.7107","MoKα","","0.0945","0.0565","","","0.1365","0.1523","","","","","","1.045","","","","has coordinates,has disorder","175965","2020-10-21","18:00:00",""
"7223647","21.4709","0.0014","21.4709","0.0014","11.969","0.0011","90","","90","","120","","4778.5","0.6","293","2","293","2","","","","","","","","6","R -3","-R 3","148","","","","- C42 H24 Cd6 Cl6 N24 O2 -","- C42 H24 Cd6 Cl6 N24 O2 -","- C126 H72 Cd18 Cl18 N72 O6 -","3","","","Yao, Peng-Fei; Liu, Han-Fu; Huang, Fu-Ping; Feng, Fang-lin; Qin, Xiao-Huan; Huang, Mei-Li; Yu, Qing; Bian, He-Dong","A family of Zn(ii)/Cd(ii) halide systems incorporating 5,5′-di(pyridin-2-yl)-3,3′-bi(1,2,4-triazole)","CrystEngComm","2016","18","6","938","","10.1039/C5CE02236C","","","0.7107","MoKα","","0.0703","0.0435","","","0.0851","0.1011","","","","","","1.087","","","","has coordinates,has disorder","175965","2020-10-21","18:00:00",""
"7223648","22.0601","0.0014","22.0601","0.0014","11.9194","0.0015","90","","90","","120","","5023.4","0.8","293","2","293","2","","","","","","","","6","R -3","-R 3","148","","","","- C42 H24 Cd6 I6 N24 O -","- C42 H24 Cd6 I6 N24 O0.98 -","- C126 H72 Cd18 I18 N72 O2.94 -","3","","","Yao, Peng-Fei; Liu, Han-Fu; Huang, Fu-Ping; Feng, Fang-lin; Qin, Xiao-Huan; Huang, Mei-Li; Yu, Qing; Bian, He-Dong","A family of Zn(ii)/Cd(ii) halide systems incorporating 5,5′-di(pyridin-2-yl)-3,3′-bi(1,2,4-triazole)","CrystEngComm","2016","18","6","938","","10.1039/C5CE02236C","","","0.7107","MoKα","","0.0592","0.0473","","","0.1167","0.1262","","","","","","1.049","","","","has coordinates","175965","2020-10-21","18:00:00",""
"7223649","13.269","0.002","15.3212","0.0014","9.0739","0.0011","90","","94.921","0.016","90","","1837.9","0.4","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C14 H10 Br2 Cd2 N8 O -","- C14 H10 Br2 Cd2 N8 O -","- C56 H40 Br8 Cd8 N32 O4 -","4","1","","Yao, Peng-Fei; Liu, Han-Fu; Huang, Fu-Ping; Feng, Fang-lin; Qin, Xiao-Huan; Huang, Mei-Li; Yu, Qing; Bian, He-Dong","A family of Zn(ii)/Cd(ii) halide systems incorporating 5,5′-di(pyridin-2-yl)-3,3′-bi(1,2,4-triazole)","CrystEngComm","2016","18","6","938","","10.1039/C5CE02236C","","","0.7107","MoKα","","0.1191","0.0648","","","0.1381","0.1686","","","","","","1.028","","","","has coordinates","175965","2020-10-21","18:00:00",""
"7223650","7.5634","0.0004","10.2048","0.0004","14.7545","0.0007","77.097","0.004","84.449","0.004","88.279","0.004","1104.79","0.09","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H10 Cd2 I4 N8 -","- C14 H10 Cd2 I4 N8 -","- C28 H20 Cd4 I8 N16 -","2","1","","Yao, Peng-Fei; Liu, Han-Fu; Huang, Fu-Ping; Feng, Fang-lin; Qin, Xiao-Huan; Huang, Mei-Li; Yu, Qing; Bian, He-Dong","A family of Zn(ii)/Cd(ii) halide systems incorporating 5,5′-di(pyridin-2-yl)-3,3′-bi(1,2,4-triazole)","CrystEngComm","2016","18","6","938","","10.1039/C5CE02236C","","","0.7107","MoKα","","0.0658","0.055","","","0.1465","0.1563","","","","","","1.044","","","","has coordinates","175965","2020-10-21","18:00:00",""
"7223651","16.0033","0.0007","11.5923","0.0005","22.053","0.001","90","","94.549","0.002","90","","4078.3","0.3","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C72 H104 O28 S8 -","- C72 H96 O28 S8 -","- C144 H192 O56 S16 -","2","0.5","","Pfeiffer, Constance R.; Feaster, Kyle A.; Dalgarno, Scott J.; Atwood, Jerry L.","Syntheses and characterization of aryl-substituted pyrogallol[4]arenes and resorcin[4]arenes","CrystEngComm","2016","18","2","222","","10.1039/C5CE01792K","","","0.71073","MoKα","","0.1084","0.0705","","","0.1585","0.1818","","","","","","1.024","","","","has coordinates,has disorder","171865","2020-10-21","18:00:00",""
"7223652","13.312","0.0003","17.0039","0.0004","22.7649","0.0005","105.34","0.001","102.612","0.001","106.369","0.001","4522.76","0.19","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C84 H132 O30 S14 -","- C56 H36 O16 -","- C112 H72 O32 -","2","1","","Pfeiffer, Constance R.; Feaster, Kyle A.; Dalgarno, Scott J.; Atwood, Jerry L.","Syntheses and characterization of aryl-substituted pyrogallol[4]arenes and resorcin[4]arenes","CrystEngComm","2016","18","2","222","","10.1039/C5CE01792K","","","1.54178","CuKα","","0.1907","0.1669","","","0.5569","0.5766","","","","","","2.49","","","","has coordinates","171865","2020-10-21","18:00:00",""
"7223653","10.3128","0.0004","13.6528","0.0005","15.1819","0.0006","113.311","0.002","105.47","0.002","95.699","0.002","1840.6","0.13","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C72 H92 O22 S6 -","- C72 H92 O22 S6 -","- C72 H92 O22 S6 -","1","0.5","","Pfeiffer, Constance R.; Feaster, Kyle A.; Dalgarno, Scott J.; Atwood, Jerry L.","Syntheses and characterization of aryl-substituted pyrogallol[4]arenes and resorcin[4]arenes","CrystEngComm","2016","18","2","222","","10.1039/C5CE01792K","","","0.71073","MoKα","","0.0731","0.0433","","","0.0907","0.1018","","","","","","1.019","","","","has coordinates","171865","2020-10-21","18:00:00",""
"7223654","13.9805","0.0014","16.3367","0.0016","24.278","0.002","77.851","0.001","73.707","0.001","73.719","0.001","5056.3","0.8","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C176 H272 O56 S24 -","- C176 H272 O56 S24 -","- C176 H272 O56 S24 -","1","0.5","","Pfeiffer, Constance R.; Feaster, Kyle A.; Dalgarno, Scott J.; Atwood, Jerry L.","Syntheses and characterization of aryl-substituted pyrogallol[4]arenes and resorcin[4]arenes","CrystEngComm","2016","18","2","222","","10.1039/C5CE01792K","","","0.71073","MoKα","","0.1706","0.0721","","","0.2033","0.2652","","","","","","1.074","","","","has coordinates,has disorder","171865","2020-10-21","18:00:00",""
"7223655","13.5643","0.001","14.1911","0.0011","15.9372","0.0012","110.429","0.004","109.634","0.004","92.886","0.005","2658.4","0.4","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C92 H144 O28 S12 -","- C92 H144 O28 S12 -","- C92 H144 O28 S12 -","1","0.5","","Pfeiffer, Constance R.; Feaster, Kyle A.; Dalgarno, Scott J.; Atwood, Jerry L.","Syntheses and characterization of aryl-substituted pyrogallol[4]arenes and resorcin[4]arenes","CrystEngComm","2016","18","2","222","","10.1039/C5CE01792K","","","0.71073","MoKα","","0.1214","0.0744","","","0.1725","0.1928","","","","","","1.02","","","","has coordinates,has disorder","171865","2020-10-21","18:00:00",""
"7223656","12.9732","0.0018","14.665","0.002","15.949","0.002","97.687","0.002","112.271","0.002","98.894","0.002","2712.1","0.6","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C95.8 H131.4 O26 S14 -","- C95.8 H131.4 O26 S14 -","- C95.8 H131.4 O26 S14 -","1","0.5","","Pfeiffer, Constance R.; Feaster, Kyle A.; Dalgarno, Scott J.; Atwood, Jerry L.","Syntheses and characterization of aryl-substituted pyrogallol[4]arenes and resorcin[4]arenes","CrystEngComm","2016","18","2","222","","10.1039/C5CE01792K","","","0.71073","MoKα","","0.1176","0.0996","","","0.2633","0.2742","","","","","","1.103","","","","has coordinates,has disorder","171865","2020-10-21","18:00:00",""
"7223657","12.3525","0.0006","13.8124","0.0008","15.0196","0.0008","112.326","0.002","112.595","0.002","93.556","0.002","2122.7","0.2","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C86 H99.8 O23 S7 -","- C86 H99.8 O23 S7 -","- C86 H99.8 O23 S7 -","1","0.5","","Pfeiffer, Constance R.; Feaster, Kyle A.; Dalgarno, Scott J.; Atwood, Jerry L.","Syntheses and characterization of aryl-substituted pyrogallol[4]arenes and resorcin[4]arenes","CrystEngComm","2016","18","2","222","","10.1039/C5CE01792K","","","0.71073","MoKα","","0.1651","0.135","","","0.4052","0.4342","","","","","","1.828","","","","has coordinates,has disorder","171865","2020-10-21","18:00:00",""
"7223658","10.6715","0.0003","16.8763","0.0005","24.6079","0.0007","97.9","0.001","102.264","0.001","99.408","0.001","4203.7","0.2","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C152 H216 O44 S20 -","- C152 H216 O44 S20 -","- C152 H216 O44 S20 -","1","0.5","","Pfeiffer, Constance R.; Feaster, Kyle A.; Dalgarno, Scott J.; Atwood, Jerry L.","Syntheses and characterization of aryl-substituted pyrogallol[4]arenes and resorcin[4]arenes","CrystEngComm","2016","18","2","222","","10.1039/C5CE01792K","","","1.54178","CuKα","","0.1385","0.1296","","","0.2455","0.2491","","","","","","1.086","","","","has coordinates,has disorder","171865","2020-10-21","18:00:00",""
"7223659","12.5293","0.0012","13.2447","0.0012","13.6375","0.0013","112.439","0.001","109.559","0.001","92.935","0.001","1929","0.3","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C72 H96 O20 S8 -","- C72 H96 O20 S8 -","- C72 H96 O20 S8 -","1","0.5","","Pfeiffer, Constance R.; Feaster, Kyle A.; Dalgarno, Scott J.; Atwood, Jerry L.","Syntheses and characterization of aryl-substituted pyrogallol[4]arenes and resorcin[4]arenes","CrystEngComm","2016","18","2","222","","10.1039/C5CE01792K","","","0.71073","MoKα","","0.0605","0.0409","","","0.0954","0.1045","","","","","","1.032","","","","has coordinates,has disorder","171865","2020-10-21","18:00:00",""
"7223660","13.6701","0.0002","16.5031","0.0003","21.1363","0.0003","90","","99.896","0.001","90","","4697.38","0.13","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C80 H120 O24 S12 -","- C80 H120 O24 S12 -","- C160 H240 O48 S24 -","2","0.5","","Pfeiffer, Constance R.; Feaster, Kyle A.; Dalgarno, Scott J.; Atwood, Jerry L.","Syntheses and characterization of aryl-substituted pyrogallol[4]arenes and resorcin[4]arenes","CrystEngComm","2016","18","2","222","","10.1039/C5CE01792K","","","1.54178","CuKα","","0.1532","0.1465","","","0.4846","0.4988","","","","","","2.554","","","","has coordinates,has disorder","171865","2020-10-21","18:00:00",""
"7223661","13.887","0.002","15.638","0.002","23.205","0.003","99.446","0.002","101.639","0.002","114.753","0.002","4303.6","1","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C156 H220 O42 S18 -","- C156 H220 O42 S18 -","- C156 H220 O42 S18 -","1","0.5","","Pfeiffer, Constance R.; Feaster, Kyle A.; Dalgarno, Scott J.; Atwood, Jerry L.","Syntheses and characterization of aryl-substituted pyrogallol[4]arenes and resorcin[4]arenes","CrystEngComm","2016","18","2","222","","10.1039/C5CE01792K","","","0.71073","MoKα","","0.1307","0.0655","","","0.1579","0.1962","","","","","","1.022","","","","has coordinates,has disorder","171865","2020-10-21","18:00:00",""
"7223662","12.108","0.0012","13.5922","0.0013","26.446","0.003","88.602","0.001","85.738","0.001","83.463","0.001","4311.5","0.8","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C80 H112 O20 S8 -","- C80 H112 O20 S8 -","- C160 H224 O40 S16 -","2","1","","Pfeiffer, Constance R.; Feaster, Kyle A.; Dalgarno, Scott J.; Atwood, Jerry L.","Syntheses and characterization of aryl-substituted pyrogallol[4]arenes and resorcin[4]arenes","CrystEngComm","2016","18","2","222","","10.1039/C5CE01792K","","","0.71073","MoKα","","0.0995","0.051","","","0.1027","0.1204","","","","","","1.021","","","","has coordinates","208944","2020-10-21","18:00:00",""
"7223663","13.065","0.0003","14.1576","0.0003","15.2003","0.0003","72.404","0.001","76.963","0.001","75.955","0.001","2564.45","0.1","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C128 H108 N12 O8 -","- C128 H108 N12 O8 -","- C128 H108 N12 O8 -","1","0.5","","Pfeiffer, Constance R.; Feaster, Kyle A.; Dalgarno, Scott J.; Atwood, Jerry L.","Syntheses and characterization of aryl-substituted pyrogallol[4]arenes and resorcin[4]arenes","CrystEngComm","2016","18","2","222","","10.1039/C5CE01792K","","","1.54178","CuKα","","0.0618","0.0574","","","0.1696","0.1747","","","","","","1.054","","","","has coordinates,has disorder","171865","2020-10-21","18:00:00",""
"7223717","12.135","0.015","3.979","0.005","18.38","0.02","90","","91.4","0.03","90","","887.2","1.8","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","Naphthalaldehydic acid cyclised isomer 15.","","- C12 H8 O3 -","- C12 H8 O3 -","- C48 H32 O12 -","4","1","","Saritemur, Gizem; Nomen Miralles, Laura; Husson, Deborah; Pitak, Mateusz B.; Coles, Simon J.; Wallis, John D.","Two modes of peri-interaction between an aldehyde group and a carboxylate anion in naphthalaldehydate salts","CrystEngComm","2016","18","6","948","","10.1039/C5CE02282G","","","0.71075","MoKα","","0.0597","0.0424","","","0.1017","0.1102","","","","","","0.97","","","","has coordinates","175958","2020-10-21","18:00:00",""
"7223718","14.953","0.002","5.0185","0.0006","12.3691","0.0019","90","","100.389","0.013","90","","913","0.2","151","2","151","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","lithium naphthalaldehydate Li.14","","- C12 H7 Li O3 -","- C12 H7 Li O3 -","- C48 H28 Li4 O12 -","4","1","","Saritemur, Gizem; Nomen Miralles, Laura; Husson, Deborah; Pitak, Mateusz B.; Coles, Simon J.; Wallis, John D.","Two modes of peri-interaction between an aldehyde group and a carboxylate anion in naphthalaldehydate salts","CrystEngComm","2016","18","6","948","","10.1039/C5CE02282G","","","0.71073","MoKα","","0.1705","0.1629","","","0.4689","0.4719","","","","","","1.193","","","","has coordinates","175958","2020-10-21","18:00:00",""
"7223719","7.3837","0.0004","30.138","0.002","4.8965","0.0003","90","","90","","90","","1089.62","0.11","150","2","150","2","","","","","","","","4","P n a 21","P 2c -2n","33","","naphthaldic acid potassium salt .1H2O K.14.H2O","","- C12 H9 K O4 -","- C12 H9 K O4 -","- C48 H36 K4 O16 -","4","1","","Saritemur, Gizem; Nomen Miralles, Laura; Husson, Deborah; Pitak, Mateusz B.; Coles, Simon J.; Wallis, John D.","Two modes of peri-interaction between an aldehyde group and a carboxylate anion in naphthalaldehydate salts","CrystEngComm","2016","18","6","948","","10.1039/C5CE02282G","","","0.71073","MoKα","","0.0858","0.0782","","","0.1806","0.1848","","","","","","1.122","","","","has coordinates","175958","2020-10-21","18:00:00",""
"7223720","7.852","0.006","29.89","0.02","4.998","0.003","90","","90","","90","","1173","1.4","100","2","100","","","","","","","","","4","P n a 21","P 2c -2n","33","","naphthalaldehydic acid cesium salt. 1H2O Cs.14.H2O","","- C12 H9 Cs O4 -","- C12 H9 Cs O4 -","- C48 H36 Cs4 O16 -","4","1","","Saritemur, Gizem; Nomen Miralles, Laura; Husson, Deborah; Pitak, Mateusz B.; Coles, Simon J.; Wallis, John D.","Two modes of peri-interaction between an aldehyde group and a carboxylate anion in naphthalaldehydate salts","CrystEngComm","2016","18","6","948","","10.1039/C5CE02282G","","","0.71075","MoKα","","0.0586","0.0478","","","0.093","0.0994","","","","","","1.051","","","","has coordinates","175958","2020-10-21","18:00:00",""
"7223721","20.9749","0.0014","19.1882","0.0006","13.2738","0.0004","90","","90","","90","","5342.3","0.4","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","N,N',N''-triphenylguanidinium naphthalaldehydate,(PhNH)3C.15","","- C31 H25 N3 O3 -","- C31 H25 N3 O3 -","- C248 H200 N24 O24 -","8","1","","Saritemur, Gizem; Nomen Miralles, Laura; Husson, Deborah; Pitak, Mateusz B.; Coles, Simon J.; Wallis, John D.","Two modes of peri-interaction between an aldehyde group and a carboxylate anion in naphthalaldehydate salts","CrystEngComm","2016","18","6","948","","10.1039/C5CE02282G","","","0.71075","MoKα","","0.0518","0.0394","","","0.094","0.1004","","","","","","1.04","","","","has coordinates,has disorder","175958","2020-10-21","18:00:00",""
"7223722","9.0149","0.0005","9.7808","0.0005","18.7439","0.0011","90","","102.981","0.005","90","","1610.47","0.16","110","2","110","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","N,N,N',N'-tetramethylguanidinium naphthalaldehydate,(Me2N)2CNH2.15","","- C17 H21 N3 O3 -","- C17 H21 N3 O3 -","- C68 H84 N12 O12 -","4","1","","Saritemur, Gizem; Nomen Miralles, Laura; Husson, Deborah; Pitak, Mateusz B.; Coles, Simon J.; Wallis, John D.","Two modes of peri-interaction between an aldehyde group and a carboxylate anion in naphthalaldehydate salts","CrystEngComm","2016","18","6","948","","10.1039/C5CE02282G","","x-ray","0.71073","MoKα","","0.0691","0.0527","","","0.1008","0.1069","","","","","","1.154","","","","has coordinates","175958","2020-10-21","18:00:00",""
"7223723","15.3271","0.0004","8.3575","0.0003","20.696","0.0006","90","","105.966","0.003","90","","2548.81","0.14","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","4-dimethylaminopyridium naphthalaldehydate.naphthalaldehydic acidDMAP.14.15","","- C31 H26 N2 O6 -","- C31 H26 N2 O6 -","- C124 H104 N8 O24 -","4","1","","Saritemur, Gizem; Nomen Miralles, Laura; Husson, Deborah; Pitak, Mateusz B.; Coles, Simon J.; Wallis, John D.","Two modes of peri-interaction between an aldehyde group and a carboxylate anion in naphthalaldehydate salts","CrystEngComm","2016","18","6","948","","10.1039/C5CE02282G","","x-ray","0.71073","MoKα","","0.0806","0.0626","","","0.1327","0.1414","","","","","","1.098","","","","has coordinates","175958","2020-10-21","18:00:00",""
"7223724","8.6","0.0004","8.6685","0.0004","9.647","0.0006","101.959","0.007","106.112","0.008","105.087","0.007","636.12","0.08","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","3-(4-Morpholinyl)-1H,3H-naphtho[1,8-cd]pyran-1-one, A","","- C16 H15 N O3 -","- C16 H15 N O3 -","- C32 H30 N2 O6 -","2","1","","Saritemur, Gizem; Nomen Miralles, Laura; Husson, Deborah; Pitak, Mateusz B.; Coles, Simon J.; Wallis, John D.","Two modes of peri-interaction between an aldehyde group and a carboxylate anion in naphthalaldehydate salts","CrystEngComm","2016","18","6","948","","10.1039/C5CE02282G","","","0.71075","MoKα","","0.0403","0.0363","","","0.102","0.1047","","","","","","1.073","","","","has coordinates","175958","2020-10-21","18:00:00",""
"7223725","34.2012","0.0019","10.3247","0.0006","12.1234","0.0006","90","","90","","90","","4281","0.4","150","2","150","2","","","","","","","","4","F d d 2","F 2 -2d","43","","","","- C8 H14 Cl N5 -","- C8 H14 Cl N5 -","- C128 H224 Cl16 N80 -","16","1","","Le, Thanh; Bhadbhade, Mohan; Gao, Jiabin; Hook, James M.; Marjo, Christopher E.","Persistence of a self-complementary N‒H⋯N tape motif in chloro-s-triazine crystals: crystal structures of simazine and atrazine herbicides and their polymorphic and inclusion behaviour","CrystEngComm","2016","18","6","962","","10.1039/C5CE02206A","","","0.71073","MoKα","","0.0506","0.0442","","","0.1126","0.1182","","","","","","1.043","","","","has coordinates","175961","2020-10-21","18:00:00",""
"7223726","4.439","0.0009","11.98","0.002","17.852","0.004","90","","94.04","0.03","90","","947","0.3","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C7 H12 Cl N5 -","- C7 H12 Cl N5 -","- C28 H48 Cl4 N20 -","4","1","","Le, Thanh; Bhadbhade, Mohan; Gao, Jiabin; Hook, James M.; Marjo, Christopher E.","Persistence of a self-complementary N‒H⋯N tape motif in chloro-s-triazine crystals: crystal structures of simazine and atrazine herbicides and their polymorphic and inclusion behaviour","CrystEngComm","2016","18","6","962","","10.1039/C5CE02206A","","","0.71073","Synchrotron","","0.0455","0.0437","","","0.128","0.1304","","","","","","1.06","","","","has coordinates","175961","2020-10-21","18:00:00",""
"7223727","19.847","0.004","9.616","0.0019","23.793","0.005","90","","90","","90","","4540.9","1.6","100","","100","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C16 H28 Cl2 N10 -","- C16 H28 Cl2 N10 -","- C128 H224 Cl16 N80 -","8","1","","Le, Thanh; Bhadbhade, Mohan; Gao, Jiabin; Hook, James M.; Marjo, Christopher E.","Persistence of a self-complementary N‒H⋯N tape motif in chloro-s-triazine crystals: crystal structures of simazine and atrazine herbicides and their polymorphic and inclusion behaviour","CrystEngComm","2016","18","6","962","","10.1039/C5CE02206A","","","0.71073","MoKα","","0.152","0.1101","","","0.2366","0.2566","","","","","","1.141","","","","has coordinates,has disorder","175961","2020-10-21","18:00:00",""
"7223728","11.908","0.003","19.374","0.007","15.441","0.005","90","","105.86","0.02","90","","3426.7","1.9","150","2","150.6","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H32 Cl10 N10 -","- C20 H32 Cl10 N10 -","- C80 H128 Cl40 N40 -","4","1","","Le, Thanh; Bhadbhade, Mohan; Gao, Jiabin; Hook, James M.; Marjo, Christopher E.","Persistence of a self-complementary N‒H⋯N tape motif in chloro-s-triazine crystals: crystal structures of simazine and atrazine herbicides and their polymorphic and inclusion behaviour","CrystEngComm","2016","18","6","962","","10.1039/C5CE02206A","","","0.71073","MoKα","","0.2937","0.1058","","","0.2634","0.3773","","","","","","0.981","","","","has coordinates,has disorder","175961","2020-10-21","18:00:00",""
"7223729","14.8405","0.0006","10.2671","0.0004","20.6587","0.0009","90","","110.219","0.001","90","","2953.8","0.2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","1:1 cocrystal of Aripiprazole Phloroglucinol Hydrate","","- C29 H33 Cl2 N3 O6 -","- C29 H33 Cl2 N3 O6 -","- C116 H132 Cl8 N12 O24 -","4","1","","Nanubolu, Jagadeesh Babu; Ravikumar, Krishnan","Correlating the melting point alteration with the supramolecular structure in aripiprazole drug cocrystals","CrystEngComm","2016","18","6","1024","","10.1039/C5CE02400E","","","0.71073","MoKα","","0.0824","0.073","","","0.2054","0.2151","","","","","","1.08","","","","has coordinates,has disorder","175959","2020-10-21","18:00:00",""
"7223730","14.7282","0.0012","9.882","0.0008","20.8815","0.0014","90","","111.174","0.005","90","","2834","0.4","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","1:1 cocrystal of Aripiprazole Resorcinol","","- C29 H33 Cl2 N3 O4 -","- C29 H33 Cl2 N3 O4 -","- C116 H132 Cl8 N12 O16 -","4","1","","Nanubolu, Jagadeesh Babu; Ravikumar, Krishnan","Correlating the melting point alteration with the supramolecular structure in aripiprazole drug cocrystals","CrystEngComm","2016","18","6","1024","","10.1039/C5CE02400E","","","0.71073","MoKα","","0.0421","0.0363","","","0.1021","0.1075","","","","","","1.026","","","","has coordinates","175959","2020-10-21","18:00:00",""
"7223731","14.7513","0.0016","9.9206","0.0011","20.9131","0.0017","90","","111.104","0.006","90","","2855.2","0.5","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","1:1 cocrystal of Aripiprazole Catechol Hydrate","","- C29 H33 Cl2 N3 O4.29 -","- C29 H33 Cl2 N3 O4.293 -","- C116 H132 Cl8 N12 O17.172 -","4","1","","Nanubolu, Jagadeesh Babu; Ravikumar, Krishnan","Correlating the melting point alteration with the supramolecular structure in aripiprazole drug cocrystals","CrystEngComm","2016","18","6","1024","","10.1039/C5CE02400E","","","0.71073","MoKα","","0.0781","0.0648","","","0.156","0.1647","","","","","","1.124","","","","has coordinates,has disorder","175959","2020-10-21","18:00:00",""
"7223732","6.9061","0.0008","9.4544","0.0011","22.484","0.003","96.056","0.002","95.355","0.002","100.696","0.002","1424.9","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","1:1 cocrystal of Aripiprazole and Hydroquinone","","- C29 H33 Cl2 N3 O4 -","- C29 H33 Cl2 N3 O4 -","- C58 H66 Cl4 N6 O8 -","2","1","","Nanubolu, Jagadeesh Babu; Ravikumar, Krishnan","Correlating the melting point alteration with the supramolecular structure in aripiprazole drug cocrystals","CrystEngComm","2016","18","6","1024","","10.1039/C5CE02400E","","","0.71073","MoKα","","0.0827","0.0493","","","0.1177","0.1348","","","","","","1.016","","","","has coordinates","175959","2020-10-21","18:00:00",""
"7223733","14.7016","0.0011","9.9378","0.0007","20.9827","0.0012","90","","111.121","0.004","90","","2859.7","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","1:1 cocrystal of Aripiprazole Pyrograllol Hydrate","","- C29 H33 Cl2 N3 O5.26 -","- C29 H33 Cl2 N3 O5.256 -","- C116 H132 Cl8 N12 O21.024 -","4","1","","Nanubolu, Jagadeesh Babu; Ravikumar, Krishnan","Correlating the melting point alteration with the supramolecular structure in aripiprazole drug cocrystals","CrystEngComm","2016","18","6","1024","","10.1039/C5CE02400E","","","0.71073","MoKα","","0.0375","0.0335","","","0.0935","0.0977","","","","","","1.03","","","","has coordinates","175959","2020-10-21","18:00:00",""
"7223734","7.697","0.0003","15.919","0.0005","16.027","0.0007","104.891","0.001","101.344","0.002","99.19","0.004","1814.35","0.13","100","2","100","2","","","","","","","","5","P -1","-P 1","2","1","","","- C26 H20 Cl8 Hg4 N6 -","- C26 H20 Cl8 Hg4 N6 -","- C52 H40 Cl16 Hg8 N12 -","2","1","","Mahmoudi, Ghodrat; Castiñeiras, Alfonso; Garczarek, Piotr; Bauzá, Antonio; Rheingold, Arnold L.; Kinzhybalo, Vasyl; Frontera, Antonio","Synthesis, X-ray characterization, DFT calculations and Hirshfeld surface analysis of thiosemicarbazone complexes of Mn+ions (n = 2, 3; M = Ni, Cd, Mn, Co and Cu)","CrystEngComm","2016","18","6","1009","","10.1039/C5CE02371H","","","0.71073","MoKα","","0.1363","0.0787","","","0.1929","0.2325","","","","","","0.964","","","","has coordinates","175960","2020-10-21","18:00:00",""
"7223735","8.7552","0.0008","14.1329","0.0014","23.646","0.002","90","","96.847","0.005","90","","2905","0.5","100","2","100","2","","","","","","","synthesis as described","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H20 Br4 Hg2 N6 -","- C26 H20 Br4 Hg2 N6 -","- C104 H80 Br16 Hg8 N24 -","4","1","","Mahmoudi, Ghodrat; Castiñeiras, Alfonso; Garczarek, Piotr; Bauzá, Antonio; Rheingold, Arnold L.; Kinzhybalo, Vasyl; Frontera, Antonio","Synthesis, X-ray characterization, DFT calculations and Hirshfeld surface analysis of thiosemicarbazone complexes of Mn+ions (n = 2, 3; M = Ni, Cd, Mn, Co and Cu)","CrystEngComm","2016","18","6","1009","","10.1039/C5CE02371H","","x-ray","0.7107","MoKα","","0.0652","0.0395","","","0.0776","0.0859","","","","","","1.03","","","","has coordinates","175960","2020-10-21","18:00:00",""
"7223736","9.3733","0.0007","35.998","0.002","9.8847","0.0006","90","","104.978","0.007","90","","3222","0.4","295","2","295","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C34 H25 Br2 Hg N5 O -","- C34 H25 Br2 Hg N5 O -","- C136 H100 Br8 Hg4 N20 O4 -","4","1","","Mahmoudi, Ghodrat; Castiñeiras, Alfonso; Garczarek, Piotr; Bauzá, Antonio; Rheingold, Arnold L.; Kinzhybalo, Vasyl; Frontera, Antonio","Synthesis, X-ray characterization, DFT calculations and Hirshfeld surface analysis of thiosemicarbazone complexes of Mn+ions (n = 2, 3; M = Ni, Cd, Mn, Co and Cu)","CrystEngComm","2016","18","6","1009","","10.1039/C5CE02371H","","","0.71073","MoKα","","0.1233","0.0323","","","0.0402","0.0456","","","","","","0.681","","","","has coordinates","175960","2020-10-21","18:00:00",""
"7223737","9.7571","0.0006","11.5338","0.0008","14.2949","0.0012","68.98","0.004","83.774","0.004","68.968","0.003","1401.23","0.18","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H20 Hg I2 N6 -","- C26 H20 Hg I2 N6 -","- C52 H40 Hg2 I4 N12 -","2","1","","Mahmoudi, Ghodrat; Castiñeiras, Alfonso; Garczarek, Piotr; Bauzá, Antonio; Rheingold, Arnold L.; Kinzhybalo, Vasyl; Frontera, Antonio","Synthesis, X-ray characterization, DFT calculations and Hirshfeld surface analysis of thiosemicarbazone complexes of Mn+ions (n = 2, 3; M = Ni, Cd, Mn, Co and Cu)","CrystEngComm","2016","18","6","1009","","10.1039/C5CE02371H","","","1.54178","CuKα","","0.1169","0.0922","","","0.2389","0.2643","","","","","","1.032","","","","has coordinates","175960","2020-10-21","18:00:00",""
"7223738","8.764","0.0004","11.8787","0.0004","15.0315","0.0006","73.615","0.003","88.714","0.005","88.11","0.006","1500.34","0.11","295","2","295","2","","","","","","","","6","P -1","-P 1","2","","","","- C29 H28 Cl2 Hg N6 O -","- C29 H28 Cl2 Hg N6 O -","- C58 H56 Cl4 Hg2 N12 O2 -","2","1","","Mahmoudi, Ghodrat; Castiñeiras, Alfonso; Garczarek, Piotr; Bauzá, Antonio; Rheingold, Arnold L.; Kinzhybalo, Vasyl; Frontera, Antonio","Synthesis, X-ray characterization, DFT calculations and Hirshfeld surface analysis of thiosemicarbazone complexes of Mn+ions (n = 2, 3; M = Ni, Cd, Mn, Co and Cu)","CrystEngComm","2016","18","6","1009","","10.1039/C5CE02371H","","","0.71073","MoKα","","0.0658","0.0558","","","0.1349","0.1369","","","","","","1.025","","","","has coordinates","175960","2020-10-21","18:00:00",""
"7223739","9.536","0.0004","10.9904","0.0004","15.8293","0.0006","86.58","0.004","73.062","0.003","78.506","0.006","1555.19","0.11","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","","","- C56 H48 Br8 Hg4 N12 -","- C56 H48 Br8 Hg4 N12 -","- C56 H48 Br8 Hg4 N12 -","1","0.5","","Mahmoudi, Ghodrat; Castiñeiras, Alfonso; Garczarek, Piotr; Bauzá, Antonio; Rheingold, Arnold L.; Kinzhybalo, Vasyl; Frontera, Antonio","Synthesis, X-ray characterization, DFT calculations and Hirshfeld surface analysis of thiosemicarbazone complexes of Mn+ions (n = 2, 3; M = Ni, Cd, Mn, Co and Cu)","CrystEngComm","2016","18","6","1009","","10.1039/C5CE02371H","","","0.71073","MoKα","","0.0475","0.0357","","","0.0965","0.0983","","","","","","1.057","","","","has coordinates","175960","2020-10-21","18:00:00",""
"7223740","10.3079","0.0004","18.8288","0.0007","11.5821","0.0005","90","","105.811","0.002","90","","2162.87","0.15","295","2","295","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C26 H20 N6 -","- C26 H20 N6 -","- C104 H80 N24 -","4","1","","Mahmoudi, Ghodrat; Castiñeiras, Alfonso; Garczarek, Piotr; Bauzá, Antonio; Rheingold, Arnold L.; Kinzhybalo, Vasyl; Frontera, Antonio","Synthesis, X-ray characterization, DFT calculations and Hirshfeld surface analysis of thiosemicarbazone complexes of Mn+ions (n = 2, 3; M = Ni, Cd, Mn, Co and Cu)","CrystEngComm","2016","18","6","1009","","10.1039/C5CE02371H","","","0.71073","MoKα","","0.0902","0.0447","","","0.0972","0.1168","","","","","","1.01","","","","has coordinates","175960","2020-10-21","18:00:00",""
"7223741","9.6825","0.0015","11.376","0.002","12.377","0.002","74.062","0.003","76.504","0.003","66.011","0.003","1186.1","0.3","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C28 H24 N6 -","- C28 H24 N6 -","- C56 H48 N12 -","2","1","","Mahmoudi, Ghodrat; Castiñeiras, Alfonso; Garczarek, Piotr; Bauzá, Antonio; Rheingold, Arnold L.; Kinzhybalo, Vasyl; Frontera, Antonio","Synthesis, X-ray characterization, DFT calculations and Hirshfeld surface analysis of thiosemicarbazone complexes of Mn+ions (n = 2, 3; M = Ni, Cd, Mn, Co and Cu)","CrystEngComm","2016","18","6","1009","","10.1039/C5CE02371H","","","0.71075","MoKα","","0.0505","0.0387","","","0.0835","0.0863","","","","","","1.033","","","","has coordinates","175960","2020-10-21","18:00:00",""
"7223742","32.1326","0.0006","12.6582","0.0002","22.0163","0.0005","90","","98.758","0.001","90","","8850.5","0.3","223","2","223","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C42 H50 Cu F6 N6 P -","- C42 H50 Cu F6 N6 P -","- C336 H400 Cu8 F48 N48 P8 -","8","1","","Cabrera, Alan Raul; González, Iván Alonso; Cortés-Arriagada, Diego; Natali, Mirco; Berke, Heinz; Daniliuc, Constantin Gabriel; Camarada, María Belen; Toro-Labbé, Alejandro; Rojas, Rene S.; salas, cristian osvaldo","Synthesis of new phosphorescent imidoyl-indazol and phosphines mixed ligand Cu(I) complexes - Structural characterization and photophysical properties","RSC Adv.","2016","","","","","10.1039/C5RA20450J","","","0.71073","MoKα","","0.113","0.0828","","","0.2083","0.2271","","","","","","1.061","","","","has coordinates,has disorder","173561","2020-10-21","18:00:00",""
"7223743","11.8896","0.0002","15.4611","0.0003","16.759","0.0004","96.01","0.001","93.695","0.001","92.264","0.001","3054.12","0.11","223","2","223","2","","","","","","","","7","P -1","-P 1","2","","","","- C57 H53 Cu F6 N3 O P3 -","- C57 H53 Cu F6 N3 O P3 -","- C114 H106 Cu2 F12 N6 O2 P6 -","2","1","","Cabrera, Alan Raul; González, Iván Alonso; Cortés-Arriagada, Diego; Natali, Mirco; Berke, Heinz; Daniliuc, Constantin Gabriel; Camarada, María Belen; Toro-Labbé, Alejandro; Rojas, Rene S.; salas, cristian osvaldo","Synthesis of new phosphorescent imidoyl-indazol and phosphines mixed ligand Cu(I) complexes - Structural characterization and photophysical properties","RSC Adv.","2016","","","","","10.1039/C5RA20450J","","","0.71073","MoKα","","0.0764","0.0643","","","0.1607","0.1686","","","","","","1.027","","","","has coordinates,has disorder","173561","2020-10-21","18:00:00",""
"7223744","8.3406","0.0002","15.9601","0.0004","16.1633","0.0004","90","","90","","90","","2151.61","0.09","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H13 Co N16 -","- C18 H13 Co N16 -","- C72 H52 Co4 N64 -","4","1","","Qiu, Yan-Xuan; Miao, Yu; Wang, Zi-Zhou; Li, Zhi-Xin; Ouyang, Zhi-Jian; Yang, Liu; Lin, Wen-Ning; Feng, Wei-Jin; Dong, Wen","Syntheses, structures, electrochemical and optical properties of four transition metal complexes based on the 1-triazolyl-3-benzimidazolyltriazene ligand","RSC Adv.","2016","","","","","10.1039/C5RA21057G","","","0.71073","MoKα","","0.0713","0.0406","","","0.069","0.077","","","","","","0.989","","","","has coordinates","173562","2020-10-21","18:00:00",""
"7223745","7.061","0.003","19.716","0.008","10.302","0.004","90","","106.146","0.015","90","","1377.6","1","296","2","296.15","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C10 H9 Cu N9 O S -","- C10 H9 Cu N9 O S -","- C40 H36 Cu4 N36 O4 S4 -","4","1","","Qiu, Yan-Xuan; Miao, Yu; Wang, Zi-Zhou; Li, Zhi-Xin; Ouyang, Zhi-Jian; Yang, Liu; Lin, Wen-Ning; Feng, Wei-Jin; Dong, Wen","Syntheses, structures, electrochemical and optical properties of four transition metal complexes based on the 1-triazolyl-3-benzimidazolyltriazene ligand","RSC Adv.","2016","","","","","10.1039/C5RA21057G","","","0.71073","MoKα","","0.0667","0.0468","","","0.126","0.1613","","","","","","1.142","","","","has coordinates","173562","2020-10-21","18:00:00",""
"7223746","8.3541","0.0004","17.9999","0.0009","10.0103","0.0005","90","","111.893","0.002","90","","1396.72","0.12","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C18 H20 Cd2 Cl4 N16 O2 -","- C18 H20 Cd2 Cl4 N16 O2 -","- C36 H40 Cd4 Cl8 N32 O4 -","2","0.5","","Qiu, Yan-Xuan; Miao, Yu; Wang, Zi-Zhou; Li, Zhi-Xin; Ouyang, Zhi-Jian; Yang, Liu; Lin, Wen-Ning; Feng, Wei-Jin; Dong, Wen","Syntheses, structures, electrochemical and optical properties of four transition metal complexes based on the 1-triazolyl-3-benzimidazolyltriazene ligand","RSC Adv.","2016","","","","","10.1039/C5RA21057G","","","0.71073","MoKα","","0.0269","0.0207","","","0.0483","0.051","","","","","","1.047","","","","has coordinates","173562","2020-10-21","18:00:00",""
"7223747","11.7945","0.0011","15.2176","0.0014","19.0428","0.0018","90","","105.48","0.006","90","","3293.9","0.5","296","2","296.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Nickel complex","","- C43 H40 N36 Ni3 O5 -","- C43 H40 N36 Ni3 O5 -","- C86 H80 N72 Ni6 O10 -","2","0.5","","Qiu, Yan-Xuan; Miao, Yu; Wang, Zi-Zhou; Li, Zhi-Xin; Ouyang, Zhi-Jian; Yang, Liu; Lin, Wen-Ning; Feng, Wei-Jin; Dong, Wen","Syntheses, structures, electrochemical and optical properties of four transition metal complexes based on the 1-triazolyl-3-benzimidazolyltriazene ligand","RSC Adv.","2016","","","","","10.1039/C5RA21057G","","","0.71073","MoKα","","0.1348","0.0654","","","0.1772","0.213","","","","","","0.976","","","","has coordinates,has disorder","173562","2020-10-21","18:00:00",""
"7223748","6.2841","0.0003","31.683","0.0016","10.093","0.0005","90","","93.1715","0.0017","90","","2006.43","0.17","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C39 H74 O5 Si -","- C39 H74 O5 Si -","- C78 H148 O10 Si2 -","2","1","","Bai, Shujin; Wu, Zhi-Yong; Huang, Qingyun; Zhang, Li; Chen, Pengwei; Wang, Cong; Zhang, Xiuli; Wang, Peng; Li, Ming","Efforts to Total Synthesis of Philinopside E: Convergent Synthesis of the Sulfated Lanostane-Type Tetraglycoside","RSC Adv.","2016","","","","","10.1039/C5RA25845F","","","0.71073","MoKα","","0.0652","0.0506","","","0.1033","0.1094","","","","","","0.979","","","","has coordinates","173563","2020-10-21","18:00:00",""
"7223749","6.336","0.001","6.336","","14.87","0.002","90","","90","","90","","596.95","0.12","","","","","","","","","","","","3","P 4/m n c","-P 4 2n","128","","Aluminium Iron Copper (7/1/2)","","- Al7 Cu2 Fe -","- Al7 Cu2 Fe -","- Al28 Cu8 Fe4 -","4","0.25","","Pillaca Quispe, Mirtha; Landauro Sáenz, Carlos V.; Pinto Vergara, Milida Z.; Quispe Marcatoma, Justiniano; Rojas Ayala, Chachi; Peña Rodríguez, Victor A.; Saitovitch, Elisa B.","Influence of high energy milling on the microstructure and magnetic properties of the Al-Cu-Fe phases: the case of the i-Al64Cu23Fe13quasicrystalline and the ω-Al70Cu20Fe10crystalline phases","RSC Adv.","2016","","","","","10.1039/C5RA21093C","","","","","","0.081","","","","","","","","","","","","","","","has coordinates","173564","2020-10-21","18:00:00",""
"7223750","28.281","0.004","20.849","0.003","30.699","0.004","90","","90.994","0.009","90","","18098","4","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","CalciumMOF","","","- C72.5 H54.5 Ca3.5 N2.5 O23 -","- C72.5 H54.5 Ca3.5 N2.5 O23 -","- C580 H436 Ca28 N20 O184 -","8","1","","Asha, K. S.; Makkitaya, Madhuri; Sirohi, Anshu; Yadav, Lalit; Sheet, Goutam; Mandal, Sukhendu","A series of s-block (Ca, Sr and Ba) metal‒organic frameworks: synthesis and structure‒property correlation","CrystEngComm","2016","18","6","1046","","10.1039/C5CE01995H","","","0.71073","MoKα","","0.2647","0.125","","","0.2347","0.2952","","","","","","0.943","","","","has coordinates","175955","2020-10-21","18:00:00",""
"7223751","18.2197","0.0011","31.5978","0.0017","29.862","0.002","90","","101.311","0.003","90","","16857.7","1.8","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","strontiumMOF","","","- C56 H43 N O14.5 Sr2.5 -","- C56 H43 N O14.5 Sr2.5 -","- C448 H344 N8 O116 Sr20 -","8","1","","Asha, K. S.; Makkitaya, Madhuri; Sirohi, Anshu; Yadav, Lalit; Sheet, Goutam; Mandal, Sukhendu","A series of s-block (Ca, Sr and Ba) metal‒organic frameworks: synthesis and structure‒property correlation","CrystEngComm","2016","18","6","1046","","10.1039/C5CE01995H","","","0.71073","MoKα","","0.1587","0.0809","","","0.186","0.2169","","","","","","1.008","","","","has coordinates","175955","2020-10-21","18:00:00",""
"7223752","7.2993","0.0002","19.3615","0.0006","26.0984","0.0009","90","","90","","90","","3688.4","0.2","298","2","298","2","","","","","","","","5","P n a 21","P 2c -2n","33","BariumMOF","","","- C29 H17 Ba N O7 -","- C29 H17 Ba N O7 -","- C116 H68 Ba4 N4 O28 -","4","1","","Asha, K. S.; Makkitaya, Madhuri; Sirohi, Anshu; Yadav, Lalit; Sheet, Goutam; Mandal, Sukhendu","A series of s-block (Ca, Sr and Ba) metal‒organic frameworks: synthesis and structure‒property correlation","CrystEngComm","2016","18","6","1046","","10.1039/C5CE01995H","","","0.71073","MoKα","","0.0557","0.0451","","","0.1318","0.1456","","","","","","1.255","","","","has coordinates","175955","2020-10-21","18:00:00",""
"7223753","18.9997","0.0007","9.4546","0.0003","7.4275","0.0003","90","","95.743","0.004","90","","1327.54","0.08","120","0.1","120.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Li2 anthraquinone-dicarboxylate","","- C16 H8 Li2 O7 -","- C16 H8 Li2 O7 -","- C64 H32 Li8 O28 -","4","1","","Tominaka, Satoshi; Yeung, Hamish H.-M.; Henke, Sebastian; Cheetham, Anthony K.","Coordination environments and π-conjugation in dense lithium coordination polymers","CrystEngComm","2016","18","3","398","","10.1039/C5CE01658D","","","0.7107","MoKα","","0.0621","0.0441","","","0.1075","0.1193","","","","","","1.038","","","","has coordinates","173634","2020-10-21","18:00:00",""
"7223754","19.0868","0.0008","9.4849","0.0004","7.4588","0.0003","90","","94.757","0.004","90","","1345.66","0.1","302.3","0.6","302.3","0.6","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Lithium anthraquinone dicarboxylate","","- C16 H8 Li2 O7 -","- C16 H8 Li2 O7 -","- C64 H32 Li8 O28 -","4","1","","Tominaka, Satoshi; Yeung, Hamish H.-M.; Henke, Sebastian; Cheetham, Anthony K.","Coordination environments and π-conjugation in dense lithium coordination polymers","CrystEngComm","2016","18","3","398","","10.1039/C5CE01658D","","","1.54184","CuKα","","0.0375","0.034","","","0.0939","0.0974","","","","","","1.04","","","","has coordinates","173634","2020-10-21","18:00:00",""
"7223755","8.0799","0.0002","10.6463","0.0002","14.6639","0.0003","90","","102.507","0.002","90","","1231.47","0.05","293","2","293.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Lithium anthraquinonedicarboxylate","","- C16 H7 Li O6 -","- C16 H7 Li O6 -","- C64 H28 Li4 O24 -","4","1","","Tominaka, Satoshi; Yeung, Hamish H.-M.; Henke, Sebastian; Cheetham, Anthony K.","Coordination environments and π-conjugation in dense lithium coordination polymers","CrystEngComm","2016","18","3","398","","10.1039/C5CE01658D","","","1.5418","CuKα","","0.035","0.0327","","","0.0912","0.0938","","","","","","1.093","","","","has coordinates","173634","2020-10-21","18:00:00",""
"7223756","8.1681","0.0004","10.6558","0.0005","14.7002","0.0007","90","","101.68","0.005","90","","1252.98","0.11","293","2","293.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H7 Li O6 -","- C16 H7 Li O6 -","- C64 H28 Li4 O24 -","4","1","","Tominaka, Satoshi; Yeung, Hamish H.-M.; Henke, Sebastian; Cheetham, Anthony K.","Coordination environments and π-conjugation in dense lithium coordination polymers","CrystEngComm","2016","18","3","398","","10.1039/C5CE01658D","","","1.5418","CuKα","","0.0403","0.0349","","","0.0938","0.0993","","","","","","1.036","","","","has coordinates","173634","2020-10-21","18:00:00",""
"7223757","8.0703","0.0003","5.1497","0.0002","14.7759","0.0005","90","","95.073","0.003","90","","611.68","0.04","121","2","121","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Dilithium 1,5-dihydroxyanthraquinone","","- C14 H10 Li2 O6 -","- C14 H10 Li2 O6 -","- C28 H20 Li4 O12 -","2","0.5","","Tominaka, Satoshi; Yeung, Hamish H.-M.; Henke, Sebastian; Cheetham, Anthony K.","Coordination environments and π-conjugation in dense lithium coordination polymers","CrystEngComm","2016","18","3","398","","10.1039/C5CE01658D","","","1.54184","CuKα","","0.0305","0.0294","","","0.0804","0.0812","","","","","","1.04","","","","has coordinates","173634","2020-10-21","18:00:00",""
"7223758","8.0719","0.0003","5.1821","0.0002","14.8188","0.0005","90","","94.926","0.003","90","","617.57","0.04","302","","302","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1,5-Dihydroxyanthraquinone dilithium hydrate","","- C7 H5 Li O3 -","- C7 H5 Li O3 -","- C28 H20 Li4 O12 -","4","1","","Tominaka, Satoshi; Yeung, Hamish H.-M.; Henke, Sebastian; Cheetham, Anthony K.","Coordination environments and π-conjugation in dense lithium coordination polymers","CrystEngComm","2016","18","3","398","","10.1039/C5CE01658D","","","1.54184","CuKα","","0.0368","0.034","","","0.0992","0.1017","","","","","","1.097","","","","has coordinates","173634","2020-10-21","18:00:00",""
"7223759","7.1641","0.0003","16.1044","0.0009","10.7351","0.0007","90","","90","","90","","1238.55","0.12","121.7","0.9","121.7","0.9","","","","","","","","4","P n m a","-P 2ac 2n","62","","Dilithium quinizarin","","- C14 H10 Li2 O6 -","- C14 H10 Li2 O6 -","- C56 H40 Li8 O24 -","4","0.5","","Tominaka, Satoshi; Yeung, Hamish H.-M.; Henke, Sebastian; Cheetham, Anthony K.","Coordination environments and π-conjugation in dense lithium coordination polymers","CrystEngComm","2016","18","3","398","","10.1039/C5CE01658D","","","1.54184","CuKα","","0.0573","0.0551","","","0.1359","0.1375","","","","","","1.0348","","","","has coordinates","173634","2020-10-21","18:00:00",""
"7223760","7.1681","0.0003","16.0902","0.0006","10.7456","0.0006","90","","90","","90","","1239.36","0.1","298","","298","","","","","","","","","4","P n m a","-P 2ac 2n","62","","1,4-dihydroxyanthraquinone dilithium hydrate","","- C7 H5 Li O3 -","- C7 H5 Li O3 -","- C56 H40 Li8 O24 -","8","1","","Tominaka, Satoshi; Yeung, Hamish H.-M.; Henke, Sebastian; Cheetham, Anthony K.","Coordination environments and π-conjugation in dense lithium coordination polymers","CrystEngComm","2016","18","3","398","","10.1039/C5CE01658D","","","1.54184","CuKα","","0.054","0.0528","","","0.1298","0.1305","","","","","","1.0463","","","","has coordinates","173634","2020-10-21","18:00:00",""
"7223761","3.8011","0.0002","15.9753","0.0011","18.0272","0.0009","90","","90","","90","","1094.68","0.11","120","0.1","120","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","1,4-dihydroxyanthraquinone lithium hydrate","","- C14 H9 Li O5 -","- C14 H9 Li O5 -","- C56 H36 Li4 O20 -","4","1","","Tominaka, Satoshi; Yeung, Hamish H.-M.; Henke, Sebastian; Cheetham, Anthony K.","Coordination environments and π-conjugation in dense lithium coordination polymers","CrystEngComm","2016","18","3","398","","10.1039/C5CE01658D","","","1.54184","CuKα","","0.0638","0.0572","","","0.1404","0.1488","","","","","","1.049","","","","has coordinates","173634","2020-10-21","18:00:00",""
"7223762","3.6746","0.0002","16.1112","0.0011","18.1111","0.0014","90","","90","","90","","1072.22","0.13","293.15","","293.15","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","1,4-dihydroxyanthraquinone lithium hydrate","","- C14 H7.5 Li O4.25 -","- C14 H7.4 Li O4.2 -","- C56 H29.6 Li4 O16.8 -","4","1","","Tominaka, Satoshi; Yeung, Hamish H.-M.; Henke, Sebastian; Cheetham, Anthony K.","Coordination environments and π-conjugation in dense lithium coordination polymers","CrystEngComm","2016","18","3","398","","10.1039/C5CE01658D","","","0.71075","MoKα","","0.1969","0.0829","","","0.1803","0.2168","","","","","","1.065","","","","has coordinates","173634","2020-10-21","18:00:00",""
"7223763","4.8535","0.0003","13.0952","0.001","18.9644","0.0012","90","","90","","90","","1205.33","0.14","120","","120","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","Lithium 1-hydroxy-4-nitroanthraquinone","","- C14 H8 Li N O6 -","- C14 H8 Li N O6 -","- C56 H32 Li4 N4 O24 -","4","1","","Tominaka, Satoshi; Yeung, Hamish H.-M.; Henke, Sebastian; Cheetham, Anthony K.","Coordination environments and π-conjugation in dense lithium coordination polymers","CrystEngComm","2016","18","3","398","","10.1039/C5CE01658D","","","1.54184","CuKα","","0.0514","0.0466","","","0.124","0.1285","","","","","","1.0713","","","","has coordinates","278046","2022-09-21","15:45:42",""
"7223764","4.8953","0.0004","13.2668","0.001","19.1081","0.0014","90","","90","","90","","1240.97","0.17","293.15","","293.15","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","Lithium 1-Hydroxy-4-nitroanthraquinone","","- C14 H8 Li N O6 -","- C14 H8 Li N O6 -","- C56 H32 Li4 N4 O24 -","4","1","","Tominaka, Satoshi; Yeung, Hamish H.-M.; Henke, Sebastian; Cheetham, Anthony K.","Coordination environments and π-conjugation in dense lithium coordination polymers","CrystEngComm","2016","18","3","398","","10.1039/C5CE01658D","","","0.71075","MoKα","","0.1606","0.07","","","0.1328","0.1745","","","","","","1.0796","","","","has coordinates","278046","2022-09-21","15:45:42",""
"7223765","5.0112","0.0002","7.5031","0.0004","21.0358","0.0008","97.619","0.004","91.892","0.004","108.338","0.005","741.79","0.06","121","3","121","3","","","","","","","","4","P -1","-P 1","2","","1,5-dihydroxyanthraquinone lithium salt","","- C14 H16 Li2 O9 -","- C14 H16 Li2 O9 -","- C28 H32 Li4 O18 -","2","1","","Tominaka, Satoshi; Yeung, Hamish H.-M.; Henke, Sebastian; Cheetham, Anthony K.","Coordination environments and π-conjugation in dense lithium coordination polymers","CrystEngComm","2016","18","3","398","","10.1039/C5CE01658D","","","1.54184","CuKα","","0.0406","0.0358","","","0.0964","0.1022","","","","","","1.082","","","","has coordinates","173634","2020-10-21","18:00:00",""
"7223766","7.3423","0.0002","10.0879","0.0002","14.4961","0.0003","90","","89.137","0.002","90","","1073.58","0.04","120","","293.15","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","1-Hyrdoxy-4-nitiroanthraquinone","","- C14 H7 N O5 -","- C14 H7 N O5 -","- C56 H28 N4 O20 -","4","1","","Tominaka, Satoshi; Yeung, Hamish H.-M.; Henke, Sebastian; Cheetham, Anthony K.","Coordination environments and π-conjugation in dense lithium coordination polymers","CrystEngComm","2016","18","3","398","","10.1039/C5CE01658D","","","1.54184","CuKα","","0.0478","0.0448","","","0.1334","0.1398","","","","","","1.082","","","","has coordinates","173634","2020-10-21","18:00:00",""
"7223767","7.4696","0.0003","10.1464","0.0004","14.5732","0.0006","90","","90.118","0.004","90","","1104.49","0.08","300","","293.15","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","1-Hydroxy-4-Nitroanthraquinone","","- C14 H7 N O5 -","- C14 H7 N O5 -","- C56 H28 N4 O20 -","4","1","","Tominaka, Satoshi; Yeung, Hamish H.-M.; Henke, Sebastian; Cheetham, Anthony K.","Coordination environments and π-conjugation in dense lithium coordination polymers","CrystEngComm","2016","18","3","398","","10.1039/C5CE01658D","","","1.54184","CuKα","","0.0997","0.0641","","","0.1919","0.2836","","","","","","1.1051","","","","has coordinates","206162","2020-10-21","18:00:00",""
"7223768","12.0297","0.0005","12.0413","0.0006","13.5174","0.0005","90","","100.597","0.004","90","","1924.64","0.15","121","1","121","1","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","Lithium formate anhydrous","","- C H Li O2 -","- C H Li O2 -","- C32 H32 Li32 O64 -","32","4","","Tominaka, Satoshi; Yeung, Hamish H.-M.; Henke, Sebastian; Cheetham, Anthony K.","Coordination environments and π-conjugation in dense lithium coordination polymers","CrystEngComm","2016","18","3","398","","10.1039/C5CE01658D","","","0.71073","MoKα","","0.0438","0.0373","","","0.1027","0.1088","","","","","","1.033","","","","has coordinates","194155","2020-10-21","18:00:00",""
"7223769","12.0519","0.0003","12.0497","0.0003","13.5108","0.0003","90","","101.003","0.003","90","","1925.99","0.08","300","0.14","300","0.14","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","Lithium formate anhydrous","","- C H Li O2 -","- C H Li O2 -","- C32 H32 Li32 O64 -","32","4","","Tominaka, Satoshi; Yeung, Hamish H.-M.; Henke, Sebastian; Cheetham, Anthony K.","Coordination environments and π-conjugation in dense lithium coordination polymers","CrystEngComm","2016","18","3","398","","10.1039/C5CE01658D","","","0.71073","MoKα","","0.0383","0.0293","","","0.0789","0.0843","","","","","","1.039","","","","has coordinates","192220","2020-10-21","18:00:00",""
"7223770","28.525","","29.966","","14.784","","90","","109.02","","90","","11947.1","","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C75 H47 N5 O9 Zn2 -","- C75 H47 N5 O9 Zn2 -","- C600 H376 N40 O72 Zn16 -","8","1","","Liu, Yue; Chen, Dashu; Li, Xingyu; Yu, Ziyang; Xia, Qiansu; Liang, Desheng; Xing, Hongzhu","Visible-light-induced controlled radical polymerization of methacrylates mediated by a pillared-layer metal‒organic framework","Green Chem.","2016","18","6","1475","","10.1039/C5GC02620B","","","0.71073","MoKα","","0.226","0.1421","","","0.3663","0.4121","","","","","","1.085","","","","has coordinates","181751","2020-10-21","18:00:00",""
"7223771","23.671","0.005","8.6038","0.0019","9.53","0.002","90","","99.236","0.002","90","","1915.7","0.7","100","","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","potassium amino(ethanesulfonate)anthracene dihydrate","","- C18 H22 K N O5 S -","- C18 H22 K N O5 S -","- C72 H88 K4 N4 O20 S4 -","4","1","","Cardona, Maria A.; Mallia, Carl J.; Baisch, Ulrich; Magri, David C.","Water-soluble amino(ethanesulfonate) and [bis(ethanesulfonate)] anthracenes as fluorescent photoinduced electron transfer (PET) pH indicators and Fe3+chemosensors","RSC Adv.","2016","6","5","3783","","10.1039/C5RA22341E","","x-ray","0.6889","","","0.0655","0.0451","","","0.1091","0.1194","","","","","","1.017","","","","has coordinates","173651","2020-10-21","18:00:00",""
"7223799","5.8253","0.0007","8.3302","0.0005","42.609","0.002","90","","90","","90","","2067.6","0.3","100","0.1","100","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C23 H26 O6 S -","- C23 H26 O6 S -","- C92 H104 O24 S4 -","4","1","","Pal, Kumar Bhaskar; Sarkar, Vikramjit; Mukhopadhyay, Balaram","Hydrogen bonding-induced conformational change in a crystalline sugar derivative","CrystEngComm","2016","18","7","1156","","10.1039/C5CE01893E","","x-ray","0.71073","MoKα","","0.0582","0.0527","","","0.1081","0.1103","","","","","","1.153","","","","has coordinates","177736","2020-10-21","18:00:00",""
"7223800","5.1361","0.0003","8.6117","0.0005","15.789","0.0008","90","","96.403","0.005","90","","694","0.07","291.85","0.1","291.85","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C13 H18 O5 S -","- C13 H18 O5 S -","- C26 H36 O10 S2 -","2","1","","Pal, Kumar Bhaskar; Sarkar, Vikramjit; Mukhopadhyay, Balaram","Hydrogen bonding-induced conformational change in a crystalline sugar derivative","CrystEngComm","2016","18","7","1156","","10.1039/C5CE01893E","","x-ray","0.71073","MoKα","","0.0366","0.0345","","","0.0837","0.0856","","","","","","1.034","","","","has coordinates","177736","2020-10-21","18:00:00",""
"7223801","11.1679","0.0007","7.7832","0.0005","19.3582","0.0013","90","","100.192","0.007","90","","1656.1","0.19","99.99","0.1","99.99","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C16 H23 O5.5 S -","- C16 H23 O5.5 S -","- C64 H92 O22 S4 -","4","2","","Pal, Kumar Bhaskar; Sarkar, Vikramjit; Mukhopadhyay, Balaram","Hydrogen bonding-induced conformational change in a crystalline sugar derivative","CrystEngComm","2016","18","7","1156","","10.1039/C5CE01893E","","x-ray","0.71073","MoKα","","0.0835","0.0655","","","0.1126","0.1213","","","","","","1.049","","","","has coordinates","194155","2020-10-21","18:00:00",""
"7223802","9.5732","0.0013","9.6932","0.0013","14.0706","0.0018","90","","90","","90","","1305.7","0.3","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C15 H16 N2 O -","- C15 H16 N2 O -","- C60 H64 N8 O4 -","4","1","","Gawade, Rupesh Liladhar; Chakravarty, Debamitra K.; Debgupta, Joyashish; Sangtani, Ekta; Narawade, Santosh; Gonnade, Rajesh G.; Puranik, Vedavati G.; Deobagkar, Deepti D.","Comparative Study of dG Affinity vs.DNA Methylation Modulating Properties of Side Chain Derivatives of Procainamide: Insight into its DNA Hypomethylating Effect","RSC Adv.","2016","","","","","10.1039/C5RA20012A","","","0.71073","MoKα","","0.0885","0.0671","","","0.1611","0.1711","","","","","","1.236","","","","has coordinates","173682","2020-10-21","18:00:00",""
"7223803","6.391","0.003","13.847","0.007","14.418","0.007","90","","90","","90","","1275.9","1.1","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C13 H19 N3 O -","- C13 H19 N3 O -","- C52 H76 N12 O4 -","4","1","","Gawade, Rupesh Liladhar; Chakravarty, Debamitra K.; Debgupta, Joyashish; Sangtani, Ekta; Narawade, Santosh; Gonnade, Rajesh G.; Puranik, Vedavati G.; Deobagkar, Deepti D.","Comparative Study of dG Affinity vs.DNA Methylation Modulating Properties of Side Chain Derivatives of Procainamide: Insight into its DNA Hypomethylating Effect","RSC Adv.","2016","","","","","10.1039/C5RA20012A","","","0.71073","MoKα","","0.1023","0.0532","","","0.1232","0.1493","","","","","","1.015","","","","has coordinates,has disorder","173682","2020-10-21","18:00:00",""
"7223804","5.9755","0.0003","13.1272","0.0008","14.4992","0.0008","90","","90","","90","","1137.34","0.11","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C11 H17 N3 O -","- C11 H17 N3 O -","- C44 H68 N12 O4 -","4","1","","Gawade, Rupesh Liladhar; Chakravarty, Debamitra K.; Debgupta, Joyashish; Sangtani, Ekta; Narawade, Santosh; Gonnade, Rajesh G.; Puranik, Vedavati G.; Deobagkar, Deepti D.","Comparative Study of dG Affinity vs.DNA Methylation Modulating Properties of Side Chain Derivatives of Procainamide: Insight into its DNA Hypomethylating Effect","RSC Adv.","2016","","","","","10.1039/C5RA20012A","","","0.71073","MoKα","","0.0319","0.0306","","","0.0812","0.0824","","","","","","1.045","","","","has coordinates,has disorder","173682","2020-10-21","18:00:00",""
"7223805","9.3267","0.0014","9.8628","0.0015","14.061","0.002","90","","90","","90","","1293.4","0.3","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C13 H19 N3 O2 -","- C13 H19 N3 O2 -","- C52 H76 N12 O8 -","4","1","","Gawade, Rupesh Liladhar; Chakravarty, Debamitra K.; Debgupta, Joyashish; Sangtani, Ekta; Narawade, Santosh; Gonnade, Rajesh G.; Puranik, Vedavati G.; Deobagkar, Deepti D.","Comparative Study of dG Affinity vs.DNA Methylation Modulating Properties of Side Chain Derivatives of Procainamide: Insight into its DNA Hypomethylating Effect","RSC Adv.","2016","","","","","10.1039/C5RA20012A","","","0.71073","MoKα","","0.0322","0.0305","","","0.0757","0.0766","","","","","","1.089","","","","has coordinates,has disorder","173682","2020-10-21","18:00:00",""
"7223806","9.624","0.002","10.246","0.003","13.768","0.003","90","","90","","90","","1357.6","0.6","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C14 H21 N3 O -","- C14 H21 N3 O -","- C56 H84 N12 O4 -","4","1","","Gawade, Rupesh Liladhar; Chakravarty, Debamitra K.; Debgupta, Joyashish; Sangtani, Ekta; Narawade, Santosh; Gonnade, Rajesh G.; Puranik, Vedavati G.; Deobagkar, Deepti D.","Comparative Study of dG Affinity vs.DNA Methylation Modulating Properties of Side Chain Derivatives of Procainamide: Insight into its DNA Hypomethylating Effect","RSC Adv.","2016","","","","","10.1039/C5RA20012A","","","0.71073","MoKα","","0.079","0.0643","","","0.1486","0.1626","","","","","","1.004","","","","has coordinates","173682","2020-10-21","18:00:00",""
"7223807","19.628","0.006","19.628","0.006","8.151","0.003","90","","90","","90","","3140.2","1.8","150","2","150","2","","","","","","","","4","P -4 21 c","P -4 2n","114","","","","- C17 H15 N3 O -","- C17 H15 N3 O -","- C136 H120 N24 O8 -","8","1","","Gawade, Rupesh Liladhar; Chakravarty, Debamitra K.; Debgupta, Joyashish; Sangtani, Ekta; Narawade, Santosh; Gonnade, Rajesh G.; Puranik, Vedavati G.; Deobagkar, Deepti D.","Comparative Study of dG Affinity vs.DNA Methylation Modulating Properties of Side Chain Derivatives of Procainamide: Insight into its DNA Hypomethylating Effect","RSC Adv.","2016","","","","","10.1039/C5RA20012A","","","0.71073","MoKα","","0.1354","0.0775","","","0.1824","0.2077","","","","","","1.05","","","","has coordinates","173682","2020-10-21","18:00:00",""
"7223808","9.6448","0.0007","16.3141","0.0012","16.9067","0.0013","90","","92.808","0.003","90","","2657","0.3","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C48 H80 F2 N4 O6 Pd -","- C48 H80 F2 N4 O6 Pd -","- C96 H160 F4 N8 O12 Pd2 -","2","0.5","","Fortea-Pérez, Francisco Ramón; Marino, Nadia; De Munno, G.; Armentano, Donatella; Julve, Miguel; Stiriba, Salah-Eddine","Intermolecular interactions in dictating the self-assembly of halogen derivatives of bis-(N-substituted oxamato)palladate(II) complexes","RSC Adv.","2016","","","","","10.1039/C5RA25136B","","","0.71073","MoKα","","0.0422","0.0294","","","0.0855","0.1008","","","","","","1.093","","","","has coordinates","173683","2020-10-21","18:00:00",""
"7223809","12.5224","0.0009","15.6996","0.0011","17.1433","0.0013","63.551","0.003","69.815","0.004","82.697","0.004","2830.8","0.4","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C48 H88 Cl2 N4 O10 Pd -","- C48 H80 Cl2 N4 O10 Pd -","- C96 H160 Cl4 N8 O20 Pd2 -","2","1","","Fortea-Pérez, Francisco Ramón; Marino, Nadia; De Munno, G.; Armentano, Donatella; Julve, Miguel; Stiriba, Salah-Eddine","Intermolecular interactions in dictating the self-assembly of halogen derivatives of bis-(N-substituted oxamato)palladate(II) complexes","RSC Adv.","2016","","","","","10.1039/C5RA25136B","","","0.71073","MoKα","","0.084","0.0583","","","0.163","0.1878","","","","","","1","","","","has coordinates","173683","2020-10-21","18:00:00",""
"7223810","14.827","0.004","14.635","0.004","15.017","0.004","90","","114.983","0.009","90","","2953.7","1.4","296","2","296","2","","","","","","","","6","P 1 2/c 1","-P 2yc","13","","","","- C48 H88 Br2 N4 O10 Pd -","- C48 H80 Br2 N4 O10 Pd -","- C96 H160 Br4 N8 O20 Pd2 -","2","0.5","","Fortea-Pérez, Francisco Ramón; Marino, Nadia; De Munno, G.; Armentano, Donatella; Julve, Miguel; Stiriba, Salah-Eddine","Intermolecular interactions in dictating the self-assembly of halogen derivatives of bis-(N-substituted oxamato)palladate(II) complexes","RSC Adv.","2016","","","","","10.1039/C5RA25136B","","","0.71073","MoKα","","0.0554","0.0433","","","0.1189","0.1276","","","","","","1.045","","","","has coordinates,has disorder","173683","2020-10-21","18:00:00",""
"7223811","17.2063","0.0006","13.8076","0.0003","13.9355","0.0004","90","","122.011","0.003","90","","2807.35","0.17","153","2","153","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C28 H24 Hg N8 O6 -","- C28 H24 Hg N8 O6 -","- C112 H96 Hg4 N32 O24 -","4","0.5","","huo, yanping; Wang, songying; lu, tian hua; Lu, Yu-Jing; Hu, Sheng","Highly selective and sensitive colorimetric chemosensors for Hg2+ based on novel diaminomaleonitrile derivatives","RSC Adv.","2016","","","","","10.1039/C5RA21474B","","","0.71073","MoKα","","0.0197","0.018","","","0.0412","0.0418","","","","","","1.06","","","","has coordinates,has disorder","173684","2020-10-21","18:00:00",""
"7223812","14.022","0.0004","7.4166","0.0002","13.7583","0.0004","90","","90.411","0.003","90","","1430.77","0.07","110","2","110","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H14 N4 O3 -","- C14 H14 N4 O3 -","- C56 H56 N16 O12 -","4","1","","huo, yanping; Wang, songying; lu, tian hua; Lu, Yu-Jing; Hu, Sheng","Highly selective and sensitive colorimetric chemosensors for Hg2+ based on novel diaminomaleonitrile derivatives","RSC Adv.","2016","","","","","10.1039/C5RA21474B","","","0.71073","MoKα","","0.0505","0.0364","","","0.0885","0.0995","","","","","","1.041","","","","has coordinates","173684","2020-10-21","18:00:00",""
"7223813","11.224","","11.341","","22.484","","92.6","","96.06","","113.86","","2590.56","","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C58 H42 Br2 Cl4 F4 N2 Ni -","- C58 H42 Br2 Cl4 F4 N2 Ni -","- C116 H84 Br4 Cl8 F8 N4 Ni2 -","2","1","","Yuan, Shi-Fang; Yue, Erlin; Wen, Chunyan; Sun, Wen Hua","Synthesis, characterization, and ethylene polymerization of 1-[2,4-bis(bis(4-fluorophenyl) methyl)naphthylimino]-2-arylimino acenaphthylnickel bromides: Influences of polymerization parameters on polyethylenes","RSC Adv.","2016","","","","","10.1039/C5RA23644D","","","0.71073","MoKα","","","0.0619","","","0.1776","0.1818","","","","","","1.069","","","","has coordinates","173685","2020-10-21","18:00:00",""
"7223814","28.3457","0.0005","11.56051","0.0001","20.1709","0.0004","90","","130.063","0.003","90","","5058.7","0.3","289.73","0.14","289.73","0.14","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C27 H20 Co1.5 N6 O7 -","- C27 H20 Co1.5 N6 O7 -","- C216 H160 Co12 N48 O56 -","8","1","","Chen, Yu; Yang, Juan; Wang, Xichi; Xu, Yuci; Xu, Huiling; Zeng, Xiaoshan; Xiao, Dongrong","Syntheses, structures and properties of five entangled coordination polymers constructed with trigonal N-donor ligands","RSC Adv.","2016","","","","","10.1039/C5RA19086J","","x-ray","1.54184","CuKα","","0.0388","0.034","","","0.0847","0.0879","","","","","","1.056","","","","has coordinates","173686","2020-10-21","18:00:00",""
"7223815","15.65677","0.00016","15.8377","0.0002","17.8327","0.0002","90","","90","","90","","4421.93","0.09","279","2","279","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C23 H21 N6 Ni O6.5 -","- C23 H21 N6 Ni O6.5 -","- C184 H168 N48 Ni8 O52 -","8","1","","Chen, Yu; Yang, Juan; Wang, Xichi; Xu, Yuci; Xu, Huiling; Zeng, Xiaoshan; Xiao, Dongrong","Syntheses, structures and properties of five entangled coordination polymers constructed with trigonal N-donor ligands","RSC Adv.","2016","","","","","10.1039/C5RA19086J","","x-ray","1.54184","CuKα","","0.0395","0.0386","","","0.1029","0.1037","","","","","","1.079","","","","has coordinates","173686","2020-10-21","18:00:00",""
"7223816","23.243","0.0012","9.976","0.0005","20.9258","0.0011","90","","106.858","0.001","90","","4643.6","0.4","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C27 H17 Cu N5 O6 -","- C27 H17 Cu N5 O6 -","- C216 H136 Cu8 N40 O48 -","8","1","","Chen, Yu; Yang, Juan; Wang, Xichi; Xu, Yuci; Xu, Huiling; Zeng, Xiaoshan; Xiao, Dongrong","Syntheses, structures and properties of five entangled coordination polymers constructed with trigonal N-donor ligands","RSC Adv.","2016","","","","","10.1039/C5RA19086J","","","0.71073","MoKα","","0.0407","0.0305","","","0.0788","0.0841","","","","","","1.026","","","","has coordinates","173686","2020-10-21","18:00:00",""
"7223817","31.982","0.002","8.058","0.0006","28.638","0.002","90","","122.449","0.001","90","","6228","0.7","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C35 H26 Co N4 O6.5 -","- C35 H26 Co N4 O6.5 -","- C280 H208 Co8 N32 O52 -","8","1","","Chen, Yu; Yang, Juan; Wang, Xichi; Xu, Yuci; Xu, Huiling; Zeng, Xiaoshan; Xiao, Dongrong","Syntheses, structures and properties of five entangled coordination polymers constructed with trigonal N-donor ligands","RSC Adv.","2016","","","","","10.1039/C5RA19086J","","","0.71","MoKα","","0.0658","0.042","","","0.116","0.1297","","","","","","1.046","","","","has coordinates","173686","2020-10-21","18:00:00",""
"7223818","31.9008","0.0006","7.98993","0.00008","29.2439","0.0005","90","","124.349","0.003","90","","6154","0.3","291.85","0.1","291.85","0.1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C35 H26 N4 Ni O6.5 -","- C35 H26 N4 Ni O6.5 -","- C280 H208 N32 Ni8 O52 -","8","1","","Chen, Yu; Yang, Juan; Wang, Xichi; Xu, Yuci; Xu, Huiling; Zeng, Xiaoshan; Xiao, Dongrong","Syntheses, structures and properties of five entangled coordination polymers constructed with trigonal N-donor ligands","RSC Adv.","2016","","","","","10.1039/C5RA19086J","","x-ray","1.54184","CuKα","","0.0446","0.0432","","","0.1312","0.1327","","","","","","1.052","","","","has coordinates","173686","2020-10-21","18:00:00",""
"7223819","9.3819","0.0012","8.0471","0.001","26.808","0.004","90","","93.592","0.007","90","","2019.9","0.5","296","","296","","","","","","","","see text","5","P 1 21/n 1","-P 2yn","14","","","","- C23 H16 F3 N3 O3 -","- C23 H16 F3 N3 O3 -","- C92 H64 F12 N12 O12 -","4","1","","Vinayaka, Ajjampura C.; Swaroop, Toreshettahally R.; Chikkade, Prasanna Kumara; Rangappa, Kanchugarakoppal S.; Sadashiva, Maralinganadoddi P.","Transition-metal-free solid phase synthesis of 1,2-disubstituted 4-quinolones via regiospecific synthesis of enaminones","RSC Adv.","2016","","","","","10.1039/C5RA21421A","","x-ray","1.54178","CuKα","","0.0518","0.0486","","","0.1323","0.1461","","","","","","1.119","","","","has coordinates","211179","2020-10-21","18:00:00",""
"7223820","12.658","0.01","7.528","0.005","10.432","0.008","90","","112.071","0.018","90","","921.2","1.2","93","","93","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","FcPH2","","","- C10 H11 Fe P -","- C10 H11 Fe P -","- C40 H44 Fe4 P4 -","4","1","","Surgenor, Brian; Taylor, Laurence J.; Nordheider, Andreas; Slawin, Alexandra; Arachchige, Kasun; Woollins, J. D.; Kilian, Petr","An efficient, scalable synthesis of ferrocenylphosphine and dichloroferrocenylphosphine","RSC Adv.","2016","","","","","10.1039/C5RA27594F","","","0.71075","MoKα","","0.114","0.0944","","","0.245","0.2629","","","","","","1.092","","","","has coordinates","173729","2020-10-21","18:00:00",""
"7223821","12.9787","0.0013","13.2924","0.0012","13.6674","0.0013","90","","110.613","0.008","90","","2206.9","0.4","173","","173","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","FcPCl2","","","- C10 H9 Cl2 Fe P -","- C10 H9 Cl2 Fe P -","- C80 H72 Cl16 Fe8 P8 -","8","2","","Surgenor, Brian; Taylor, Laurence J.; Nordheider, Andreas; Slawin, Alexandra; Arachchige, Kasun; Woollins, J. D.; Kilian, Petr","An efficient, scalable synthesis of ferrocenylphosphine and dichloroferrocenylphosphine","RSC Adv.","2016","","","","","10.1039/C5RA27594F","","","0.71075","MoKα","","0.0766","0.0472","","","0.0712","0.0779","","","","","","1.087","","","","has coordinates","173729","2020-10-21","18:00:00",""
"7223822","7.0645","0.0003","8.5088","0.0004","16.3254","0.0007","98.908","0.002","96.316","0.002","103.939","0.002","929.77","0.07","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C18 H15 Cl3 O5 -","- C18 H15 Cl3 O5 -","- C36 H30 Cl6 O10 -","2","1","","Brahmachari, Goutam; Das, Satipada; Biswas, Maya; Kumar, Abhishek; Srivastava, Ambrish Kumar; Misra, Neeraj","3,5,7-Trimethoxyphenanthrene-1,4-dione: A new biologically relevant natural phenanthrenequinone derivative from Dioscorea prazeri and studies on its single X-ray crystallographic behavior, molecular docking and other physico-chemical properties","RSC Adv.","2016","","","","","10.1039/C5RA21490D","","","0.71073","MoKα","","0.0724","0.0559","","","0.1599","0.1847","","","","","","1.086","","","","has coordinates,has disorder","173730","2020-10-21","18:00:00",""
"7223834","10.5276","0.0008","11.0184","0.0008","12.8075","0.0008","90","","100.792","0.007","90","","1459.36","0.18","293","2","293.15","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C26 H38 N4 O6 -","- C26 H38 N4 O6 -","- C52 H76 N8 O12 -","2","1","","Podder, Debasish; Sasmal, Supriya; Maji, Krishnendu; Haldar, Debasish","Supramolecular tryptophan-zipper forms a tripeptide as a regular proton transporter","CrystEngComm","2016","18","22","4109","","10.1039/C5CE02005K","","","0.71073","MoKα","","0.1416","0.079","","","0.1865","0.2206","","","","","","0.963","","","","has coordinates,has disorder","185173","2020-10-21","18:00:00",""
"7223835","8.9295","0.0002","15.865","0.0004","21.5604","0.0007","90","","90","","90","","3054.39","0.14","100.01","0.1","100.01","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C27 H42 N4 O7 -","- C27 H42 N4 O7 -","- C108 H168 N16 O28 -","4","1","","Podder, Debasish; Sasmal, Supriya; Maji, Krishnendu; Haldar, Debasish","Supramolecular tryptophan-zipper forms a tripeptide as a regular proton transporter","CrystEngComm","2016","18","22","4109","","10.1039/C5CE02005K","","x-ray","0.71073","MoKα","","0.0416","0.0384","","","0.1045","0.1062","","","","","","1.152","","","","has coordinates","185173","2020-10-21","18:00:00",""
"7223836","28.2798","0.0011","28.2798","0.0011","5.9321","0.0003","90","","90","","120","","4108.6","0.3","170","2","170","","","","","","","","","3","P 65","P 65","170","","vitamin D3","","- C27 H44 O -","- C27 H44 O -","- C162 H264 O6 -","6","1","","Wang, Jian-Rong; Zhu, Bingqing; Yu, Qihui; Mei, Xuefeng","Selective crystallization of vitamin D3for the preparation of novel conformational polymorphs with distinctive chemical stability","CrystEngComm","2016","18","7","1101","","10.1039/C5CE02431E","","","0.71073","MoKα","","0.1118","0.0654","","","0.1492","0.1728","","","","","","1.021","","","","has coordinates,has disorder","177739","2020-10-21","18:00:00",""
"7223837","6.2713","0.0005","13.5593","0.0011","10.7931","0.0008","90","","97.635","0.009","90","","909.65","0.12","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C4 H6 O2 Pd S4 -","- C4 H6 O2 Pd S4 -","- C16 H24 O8 Pd4 S16 -","4","1","","Tan, Yee Seng; Halim, Siti Nadiah Abdul; Molloy, Kieran C.; Sudlow, Anna L.; Otero-de-la-Roza, A.; Tiekink, Edward R. T.","Persistence of C‒H⋯π(chelate ring) interactions in the crystal structures of Pd(S2COR)2. The utility of Pd(S2COR)2as precursors for palladium sulphide materials","CrystEngComm","2016","18","7","1105","","10.1039/C5CE02126J","","","0.71073","MoKα","","0.0714","0.0421","","","0.0709","0.0834","","","","","","1.017","","","","has coordinates","177740","2020-10-21","18:00:00",""
"7223838","7.5034","0.0004","7.2125","0.0004","20.7854","0.0012","90","","90","","90","","1124.87","0.11","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C6 H10 O2 Pd S4 -","- C6 H10 O2 Pd S4 -","- C24 H40 O8 Pd4 S16 -","4","0.5","","Tan, Yee Seng; Halim, Siti Nadiah Abdul; Molloy, Kieran C.; Sudlow, Anna L.; Otero-de-la-Roza, A.; Tiekink, Edward R. T.","Persistence of C‒H⋯π(chelate ring) interactions in the crystal structures of Pd(S2COR)2. The utility of Pd(S2COR)2as precursors for palladium sulphide materials","CrystEngComm","2016","18","7","1105","","10.1039/C5CE02126J","","","1.54178","CuKα","","0.0282","0.0251","","","0.0691","0.0721","","","","","","1.127","","","","has coordinates","177740","2020-10-21","18:00:00",""
"7223839","7.4778","0.0004","9.5272","0.0006","9.8084","0.0005","74.832","0.005","86.458","0.004","76.292","0.005","655.22","0.07","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C8 H14 O2 Pd S4 -","- C8 H14 O2 Pd S4 -","- C16 H28 O4 Pd2 S8 -","2","1","","Tan, Yee Seng; Halim, Siti Nadiah Abdul; Molloy, Kieran C.; Sudlow, Anna L.; Otero-de-la-Roza, A.; Tiekink, Edward R. T.","Persistence of C‒H⋯π(chelate ring) interactions in the crystal structures of Pd(S2COR)2. The utility of Pd(S2COR)2as precursors for palladium sulphide materials","CrystEngComm","2016","18","7","1105","","10.1039/C5CE02126J","","","0.71073","MoKα","","0.0473","0.0334","","","0.0694","0.0775","","","","","","1.068","","","","has coordinates","177740","2020-10-21","18:00:00",""
"7223840","9.9077","0.0006","5.872","0.0003","11.9621","0.0006","90","","102.752","0.005","90","","678.77","0.07","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C8 H14 O2 Pd S4 -","- C8 H14 O2 Pd S4 -","- C16 H28 O4 Pd2 S8 -","2","0.5","","Tan, Yee Seng; Halim, Siti Nadiah Abdul; Molloy, Kieran C.; Sudlow, Anna L.; Otero-de-la-Roza, A.; Tiekink, Edward R. T.","Persistence of C‒H⋯π(chelate ring) interactions in the crystal structures of Pd(S2COR)2. The utility of Pd(S2COR)2as precursors for palladium sulphide materials","CrystEngComm","2016","18","7","1105","","10.1039/C5CE02126J","","","0.71073","MoKα","","0.0313","0.0277","","","0.0718","0.0741","","","","","","1.054","","","","has coordinates","177740","2020-10-21","18:00:00",""
"7223841","5.7038","0.0004","6.7822","0.0004","10.5967","0.0008","72.42","0.006","78.467","0.006","79.852","0.005","379.94","0.05","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C10 H18 O2 Pd S4 -","- C10 H18 O2 Pd S4 -","- C10 H18 O2 Pd S4 -","1","0.5","","Tan, Yee Seng; Halim, Siti Nadiah Abdul; Molloy, Kieran C.; Sudlow, Anna L.; Otero-de-la-Roza, A.; Tiekink, Edward R. T.","Persistence of C‒H⋯π(chelate ring) interactions in the crystal structures of Pd(S2COR)2. The utility of Pd(S2COR)2as precursors for palladium sulphide materials","CrystEngComm","2016","18","7","1105","","10.1039/C5CE02126J","","","0.71073","MoKα","","0.0263","0.024","","","0.0613","0.0638","","","","","","1.103","","","","has coordinates","177740","2020-10-21","18:00:00",""
"7223842","6.0243","0.0004","8.0461","0.0006","8.9366","0.0007","111.05","0.007","99.851","0.006","103.836","0.006","376.42","0.06","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C10 H18 O2 Pd S4 -","- C10 H18 O2 Pd S4 -","- C10 H18 O2 Pd S4 -","1","0.5","","Tan, Yee Seng; Halim, Siti Nadiah Abdul; Molloy, Kieran C.; Sudlow, Anna L.; Otero-de-la-Roza, A.; Tiekink, Edward R. T.","Persistence of C‒H⋯π(chelate ring) interactions in the crystal structures of Pd(S2COR)2. The utility of Pd(S2COR)2as precursors for palladium sulphide materials","CrystEngComm","2016","18","7","1105","","10.1039/C5CE02126J","","","1.54184","CuKα","","0.0283","0.0282","","","0.0766","0.0769","","","","","","1.048","","","","has coordinates","177740","2020-10-21","18:00:00",""
"7223843","7.0663","0.0005","8.4457","0.0003","9.2536","0.0004","63.74","0.004","73.752","0.003","83.782","0.003","475.4","0.05","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H26 O2 Pd S4 -","- C14 H26 O2 Pd S4 -","- C14 H26 O2 Pd S4 -","1","0.5","","Tan, Yee Seng; Halim, Siti Nadiah Abdul; Molloy, Kieran C.; Sudlow, Anna L.; Otero-de-la-Roza, A.; Tiekink, Edward R. T.","Persistence of C‒H⋯π(chelate ring) interactions in the crystal structures of Pd(S2COR)2. The utility of Pd(S2COR)2as precursors for palladium sulphide materials","CrystEngComm","2016","18","7","1105","","10.1039/C5CE02126J","","","0.71073","MoKα","","0.0181","0.0166","","","0.0418","0.0429","","","","","","1.041","","","","has coordinates","177740","2020-10-21","18:00:00",""
"7223844","6.1398","0.0006","6.7176","0.0005","11.9393","0.001","90.02","0.007","99.397","0.007","95.377","0.007","483.63","0.07","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H26 O2 Pd S4 -","- C14 H26 O2 Pd S4 -","- C14 H26 O2 Pd S4 -","1","0.5","","Tan, Yee Seng; Halim, Siti Nadiah Abdul; Molloy, Kieran C.; Sudlow, Anna L.; Otero-de-la-Roza, A.; Tiekink, Edward R. T.","Persistence of C‒H⋯π(chelate ring) interactions in the crystal structures of Pd(S2COR)2. The utility of Pd(S2COR)2as precursors for palladium sulphide materials","CrystEngComm","2016","18","7","1105","","10.1039/C5CE02126J","","","1.54184","CuKα","","0.059","0.0563","","","0.1583","0.1636","","","","","","1.081","","","","has coordinates","177740","2020-10-21","18:00:00",""
"7223845","6.882","0.0011","7.3531","0.0012","10.0455","0.001","70.305","0.012","70.788","0.012","67.164","0.015","429.42","0.12","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C12 H22 O2 Pd S4 -","- C12 H22 O2 Pd S4 -","- C12 H22 O2 Pd S4 -","1","0.5","","Tan, Yee Seng; Halim, Siti Nadiah Abdul; Molloy, Kieran C.; Sudlow, Anna L.; Otero-de-la-Roza, A.; Tiekink, Edward R. T.","Persistence of C‒H⋯π(chelate ring) interactions in the crystal structures of Pd(S2COR)2. The utility of Pd(S2COR)2as precursors for palladium sulphide materials","CrystEngComm","2016","18","7","1105","","10.1039/C5CE02126J","","","1.54184","CuKα","","0.058","0.0543","","","0.1584","0.1659","","","","","","1.093","","","","has coordinates","177740","2020-10-21","18:00:00",""
"7223846","6.5622","0.0004","6.8643","0.0005","9.8385","0.0007","84.811","0.006","76.424","0.006","83.388","0.006","427","0.05","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C12 H22 O2 Pd S4 -","- C12 H22 O2 Pd S4 -","- C12 H22 O2 Pd S4 -","1","0.5","","Tan, Yee Seng; Halim, Siti Nadiah Abdul; Molloy, Kieran C.; Sudlow, Anna L.; Otero-de-la-Roza, A.; Tiekink, Edward R. T.","Persistence of C‒H⋯π(chelate ring) interactions in the crystal structures of Pd(S2COR)2. The utility of Pd(S2COR)2as precursors for palladium sulphide materials","CrystEngComm","2016","18","7","1105","","10.1039/C5CE02126J","","","0.71073","MoKα","","0.0327","0.0294","","","0.0781","0.0829","","","","","","1.129","","","","has coordinates","177740","2020-10-21","18:00:00",""
"7223847","6.2746","0.0003","6.3302","0.0004","11.4138","0.0006","79.69","0.005","88.152","0.004","86.065","0.005","444.89","0.04","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C12 H22 O2 Pd S4 -","- C12 H22 O2 Pd S4 -","- C12 H22 O2 Pd S4 -","1","0.5","","Tan, Yee Seng; Halim, Siti Nadiah Abdul; Molloy, Kieran C.; Sudlow, Anna L.; Otero-de-la-Roza, A.; Tiekink, Edward R. T.","Persistence of C‒H⋯π(chelate ring) interactions in the crystal structures of Pd(S2COR)2. The utility of Pd(S2COR)2as precursors for palladium sulphide materials","CrystEngComm","2016","18","7","1105","","10.1039/C5CE02126J","","","0.71073","MoKα","","0.0276","0.0234","","","0.0472","0.0492","","","","","","1.066","","","","has coordinates","177740","2020-10-21","18:00:00",""
"7223848","6.8083","0.0005","7.5446","0.0004","10.4837","0.0008","101.008","0.006","98.983","0.006","112.048","0.006","474.33","0.06","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H26 O2 Pd S4 -","- C14 H26 O2 Pd S4 -","- C14 H26 O2 Pd S4 -","1","0.5","","Tan, Yee Seng; Halim, Siti Nadiah Abdul; Molloy, Kieran C.; Sudlow, Anna L.; Otero-de-la-Roza, A.; Tiekink, Edward R. T.","Persistence of C‒H⋯π(chelate ring) interactions in the crystal structures of Pd(S2COR)2. The utility of Pd(S2COR)2as precursors for palladium sulphide materials","CrystEngComm","2016","18","7","1105","","10.1039/C5CE02126J","","","0.71073","MoKα","","0.0329","0.0291","","","0.0644","0.0678","","","","","","1.08","","","","has coordinates","177740","2020-10-21","18:00:00",""
"7223849","8.1634","0.0003","8.9539","0.0003","14.4292","0.0005","90","","90","","90","","1054.69","0.06","173","","173","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C10 H20 Cl N -","- C10 H20 Cl N -","- C40 H80 Cl4 N4 -","4","1","","Clough, Matthew T.; Geyer, Karolin; Hunt, Patricia A.; McIntosh, Alastair J. S.; Rowe, Rebecca; Welton, Tom; White, Andrew J. P.","Azoniaspiro salts: towards bridging the gap between room-temperature ionic liquids and molten salts","Phys. Chem. Chem. Phys.","2016","","","","","10.1039/C5CP07209C","","","0.71073","MoKα","","0.0467","0.0422","","","0.1053","0.1094","","","","","","1.076","","","","has coordinates","174381","2020-10-21","18:00:00",""
"7223850","12.5408","0.0003","11.0072","0.0003","14.1345","0.0004","90","","90","","90","","1951.11","0.09","173","","173","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C8 H18 Cl N O -","- C8 H18 Cl N O -","- C64 H144 Cl8 N8 O8 -","8","1","","Clough, Matthew T.; Geyer, Karolin; Hunt, Patricia A.; McIntosh, Alastair J. S.; Rowe, Rebecca; Welton, Tom; White, Andrew J. P.","Azoniaspiro salts: towards bridging the gap between room-temperature ionic liquids and molten salts","Phys. Chem. Chem. Phys.","2016","","","","","10.1039/C5CP07209C","","","0.71073","MoKα","","0.0467","0.0379","","","0.0903","0.0949","","","","","","1.068","","","","has coordinates","174381","2020-10-21","18:00:00",""
"7223851","18.583","0.001","18.583","0.001","14.503","0.001","90","0","90","0","120","0","4337.3","0.4","295","","295","","","","","","","","","5","R -3 :H","-R 3","148","","","","- C30 H21 F6 Mn O6 -","- C30 H21 F6 Mn O6 -","- C180 H126 F36 Mn6 O36 -","6","0.333333","","Carli, Stefano; Benazzi, Elisabetta; Casarin, Laura; Bernardi, Tatiana; Bertolasi, Valerio; Argazzi, Roberto; Caramori, Stefano; Bignozzi, Carlo Alberto","On the stability of manganese tris(β-diketonate) complexes as redox mediators in DSSCs.","Physical chemistry chemical physics : PCCP","2016","18","8","5949","5956","10.1039/c5cp05524e","","","0.71073","MoKα","","0.0718","0.0505","","","0.1328","0.1513","","","","","","1.046","","","","has coordinates","177937","2020-10-21","18:00:00",""
"7223852","16.325","0.001","17.663","0.001","12.491","0.001","90","","115.434","0.01","90","","3252.7","0.5","295","","295","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C28 H40 Cl Mn N2 O8 -","- C28 H40 Cl Mn N2 O8 -","- C112 H160 Cl4 Mn4 N8 O32 -","4","0.5","","Carli, Stefano; Benazzi, Elisabetta; Casarin, Laura; Bernardi, Tatiana; Bertolasi, Valerio; Argazzi, Roberto; Caramori, Stefano; Bignozzi, Carlo Alberto","On the stability of manganese tris(β-diketonate) complexes as redox mediators in DSSCs.","Physical chemistry chemical physics : PCCP","2016","18","8","5949","5956","10.1039/c5cp05524e","","","0.71073","MoKα","","0.1241","0.0844","","","0.223","0.2818","","","","","","1.038","","","","has coordinates,has disorder","177937","2020-10-21","18:00:00",""
"7223853","18.2229","0.0009","19.0407","0.001","11.7031","0.0007","90","","115.785","0.002","90","","3656.4","0.3","295","","295","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C38 H40 F4 Mn N2 O4 -","- C38 H40 F4 Mn N2 O4 -","- C152 H160 F16 Mn4 N8 O16 -","4","0.5","","Carli, Stefano; Benazzi, Elisabetta; Casarin, Laura; Bernardi, Tatiana; Bertolasi, Valerio; Argazzi, Roberto; Caramori, Stefano; Bignozzi, Carlo Alberto","On the stability of manganese tris(β-diketonate) complexes as redox mediators in DSSCs.","Physical chemistry chemical physics : PCCP","2016","18","8","5949","5956","10.1039/c5cp05524e","","","0.71073","MoKα","","0.0998","0.075","","","0.2065","0.231","","","","","","1.089","","","","has coordinates,has disorder","177937","2020-10-21","18:00:00",""
"7223854","14.7374","0.0015","10.6246","0.0009","19.2318","0.0018","90","","125.932","0.006","90","","2438.3","0.4","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C26 H21 N3 O5 -","- C26 H21 N3 O5 -","- C104 H84 N12 O20 -","4","1","","Bao, Ming; Jiang, Bo; Wang, Haiying; Li, liang","Base-mediated isocyanide-based three-component reactions: divergent synthesis of spiro-substituted furans and pyrroles","RSC Adv.","2016","","","","","10.1039/C5RA25408F","","","0.71073","MoKα","","0.1571","0.0682","","","0.1509","0.2111","","","","","","0.998","","","","has coordinates","206958","2020-10-21","18:00:00",""
"7223855","28.1196","0.0015","10.6029","0.0006","31.9973","0.0017","90","","98.631","0.003","90","","9431.9","0.9","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C26 H21 N3 O5 -","- C26 H21 N3 O5 -","- C416 H336 N48 O80 -","16","2","","Bao, Ming; Jiang, Bo; Wang, Haiying; Li, liang","Base-mediated isocyanide-based three-component reactions: divergent synthesis of spiro-substituted furans and pyrroles","RSC Adv.","2016","","","","","10.1039/C5RA25408F","","","0.71073","MoKα","","0.0784","0.0497","","","0.1207","0.1358","","","","","","1.039","","","","has coordinates","174384","2020-10-21","18:00:00",""
"7223856","23.863","0.007","23.863","0.007","16.635","0.005","90","","90","","90","","9473","5","150","2","150","2","","","","","","","","4","I 41/a","-I 4ad","88","","","","- C22 H27 F6 N3 -","- C22 H27 F6 N3 -","- C352 H432 F96 N48 -","16","","","Alonso-Moreno, Carlos; BRAVO, IVAN; Posadas, Inmaculada; Albaladejo, José; CARRILLO-HERMOSILLA, FERNANDO; Ceña, Valentín; Garzon, Andres; López-Solera, Isabel; Romero-Castillo, Laura","Phenyl-Guanidine Derivatives as Potential Therapeutic Agents for Glioblastoma Multiforme: Catalytic Syntheses, Cytotoxic Effects and DNA Affinity","RSC Adv.","2016","","","","","10.1039/C5RA17920C","","","0.71073","MoKα","","0.1337","0.0743","","","0.1653","0.1946","","","","","","1.031","","","","has coordinates,has disorder","174385","2020-10-21","18:00:00",""
"7223857","8.3207","0.0002","12.7611","0.0003","15.3831","0.0005","65.525","0.003","79.918","0.002","90.001","0.002","1458.86","0.08","290","2","290","2","","","","","","","","3","P 1","P 1","1","","","","- C29 H48 O3 -","- C29 H48 O3 -","- C58 H96 O6 -","2","2","","Huang, Shan-shan; Jian, Kai-Li; Li, Rui-Jun; Kong, Ling-Yi; Yang, Ming-Hua","Phytosteroids and triterpenoids with potent cytotoxicities from the leaves of Chisocheton cumingianus","RSC Adv.","2016","","","","","10.1039/C5RA23626F","","","1.54184","CuKα","","0.0526","0.0501","","","0.1558","0.1612","","","","","","1.059","","","","has coordinates","174386","2020-10-21","18:00:00",""
"7223858","5.1438","0.0005","6.2912","0.0009","9.9448","0.0012","91.605","0.01","104.35","0.009","101.944","0.01","303.96","0.07","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C6 H4 F8 N2 O6 -","- C6 H4 F8 N2 O6 -","- C6 H4 F8 N2 O6 -","1","0.5","","Dharavath, Srinivas; Ghule, Vikas","Synthesis of Nitrate Ester and Nitramine Derivatives of Polyfluoro Alkyl Compounds for High Energy Materials","RSC Adv.","2016","","","","","10.1039/C5RA24615F","","x-ray","1.54184","CuKα","","0.0809","0.0755","","","0.2329","0.2417","","","","","","1.9","","","","has coordinates","174387","2020-10-21","18:00:00",""
"7223859","4.99141","0.00016","20.7151","0.0008","7.2618","0.0002","90","","102.263","0.003","90","","733.72","0.04","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C8 H6 F8 N4 O8 -","- C8 H6 F8 N4 O8 -","- C16 H12 F16 N8 O16 -","2","0.5","","Dharavath, Srinivas; Ghule, Vikas","Synthesis of Nitrate Ester and Nitramine Derivatives of Polyfluoro Alkyl Compounds for High Energy Materials","RSC Adv.","2016","","","","","10.1039/C5RA24615F","","x-ray","1.54184","CuKα","","0.0489","0.0468","","","0.1758","0.1797","","","","","","1.537","","","","has coordinates","174387","2020-10-21","18:00:00",""
"7223860","11.4164","0.0017","13.6481","0.0009","4.9679","0.0008","90","","130.54","0.03","90","","588.2","0.3","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C6 H6 F4 N4 O8 -","- C6 H6 F4 N4 O8 -","- C12 H12 F8 N8 O16 -","2","0.5","","Dharavath, Srinivas; Ghule, Vikas","Synthesis of Nitrate Ester and Nitramine Derivatives of Polyfluoro Alkyl Compounds for High Energy Materials","RSC Adv.","2016","","","","","10.1039/C5RA24615F","","x-ray","1.54184","CuKα","","0.0663","0.0641","","","0.2209","0.2222","","","","","","2","","","","has coordinates","174387","2020-10-21","18:00:00",""
"7223861","14.645","0.003","14.608","0.003","20.215","0.004","90","","104.39","0.03","90","","4189","1.6","298","2","298","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C36 H48 Ni4 O16 -","- C36 H48 Ni4 O16 -","- C144 H192 Ni16 O64 -","4","1","","Amiri Rudbari, Hadi; Lloret, Francesc; Khorshidifard, Mahsa; bruno, giuseppe; Julve, Miguel","Effects of electron donating/withdrawing groups in the 5-substituted-2-hydroxybenzaldehyde on the synthesis of neutral cubanes with a NiII4O4 core: Synthesis, crystal structures and magnetic properties","RSC Adv.","2016","","","","","10.1039/C5RA25969J","","","0.71073","MoKα","","0.0536","0.0311","","","0.0624","0.0669","","","","","","0.858","","","","has coordinates","174389","2020-10-21","18:00:00",""
"7223862","18.262","0.004","17.467","0.004","14.722","0.003","90","","90.39","0.03","90","","4695.9","1.8","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C40 H56 Ni4 O16 -","- C40 H56 Ni4 O16 -","- C160 H224 Ni16 O64 -","4","1","","Amiri Rudbari, Hadi; Lloret, Francesc; Khorshidifard, Mahsa; bruno, giuseppe; Julve, Miguel","Effects of electron donating/withdrawing groups in the 5-substituted-2-hydroxybenzaldehyde on the synthesis of neutral cubanes with a NiII4O4 core: Synthesis, crystal structures and magnetic properties","RSC Adv.","2016","","","","","10.1039/C5RA25969J","","","0.71073","MoKα","","0.0571","0.0358","","","0.0844","0.0906","","","","","","0.92","","","","has coordinates","174389","2020-10-21","18:00:00",""
"7223863","14.07","0.006","14.07","0.006","19.864","0.008","90","","90","","120","","3406","2","100","2","100","2","","","","","","","synthesis as described","5","R -3 :H","-R 3","148","","Poly{[tris(mu4-biphenyl-4,4'-dicarboxylato-kO:kO':kO'':kO''')diaquatricadmium(II)]dimethylformamide}","","- C45 H35 Cd3 N O15 -","- C42 H24 Cd3 O14 -","- C126 H72 Cd9 O42 -","3","0.166667","","Fernández, Belén; Beobide, Garikoitz; Sánchez, Ignacio; Carrasco-Marín, Francisco; Seco, José M.; Calahorro, Antonio J.; Cepeda, Javier; Rodríguez-Diéguez, Antonio","Controlling interpenetration for tuning porosity and luminescence properties of flexible MOFs based on biphenyl-4,4′-dicarboxylic acid","CrystEngComm","2016","18","8","1282","","10.1039/C5CE02036K","","","0.71073","MoKα","","0.1186","0.0547","","","0.1396","0.1548","","","","","","1.006","","","","has coordinates","177755","2020-10-21","18:00:00",""
"7223864","47.928","0.004","13.828","0.001","26.187","0.002","90","","114.491","0.002","90","","15794","2","100","2","100","2","","","","","","","synthesis as described","5","C 1 2/c 1","-C 2yc","15","","Poly{[bis(mu4-biphenyl-4,4'-dicarboxylato-kO:kO':kO'':kO''')(mu4-biphenyl-4,4'-dicarboxylato-kO:kO,O':kO'':kO'',O''')(mu-1,4-bis(4-pyridyl)-2,3-diaza-1,3-butadiene)trizinc(II)]pentakisdimethylformamide}","","- C69 H69 N9 O17 Zn3 -","- C54 H34 N4 O12 Zn3 -","- C432 H272 N32 O96 Zn24 -","8","1","","Fernández, Belén; Beobide, Garikoitz; Sánchez, Ignacio; Carrasco-Marín, Francisco; Seco, José M.; Calahorro, Antonio J.; Cepeda, Javier; Rodríguez-Diéguez, Antonio","Controlling interpenetration for tuning porosity and luminescence properties of flexible MOFs based on biphenyl-4,4′-dicarboxylic acid","CrystEngComm","2016","18","8","1282","","10.1039/C5CE02036K","","","0.71073","MoKα","","0.0877","0.0538","","","0.1338","0.1443","","","","","","0.925","","","","has coordinates","177755","2020-10-21","18:00:00",""
"7223865","15.174","0.002","15.185","0.002","18.174","0.002","81.094","0.003","84.734","0.003","78.952","0.003","4052.1","0.9","100","2","100","2","","","","","","","synthesis as described","5","P -1","-P 1","2","","Poly{[bis(mu4-biphenyl-4,4'-dicarboxylato-kO:kO':kO'':kO''')(mu-1,4-bis(4-pyridyl)-2,3-diaza-1,3-butadiene)dizinc(II)]heptakisdimethylformamide}","","- C61 H75 N11 O15 Zn2 -","- C40 H26 N4 O8 Zn2 -","- C80 H52 N8 O16 Zn4 -","2","1","","Fernández, Belén; Beobide, Garikoitz; Sánchez, Ignacio; Carrasco-Marín, Francisco; Seco, José M.; Calahorro, Antonio J.; Cepeda, Javier; Rodríguez-Diéguez, Antonio","Controlling interpenetration for tuning porosity and luminescence properties of flexible MOFs based on biphenyl-4,4′-dicarboxylic acid","CrystEngComm","2016","18","8","1282","","10.1039/C5CE02036K","","","0.71073","MoKα","","0.0814","0.0598","","","0.1542","0.1605","","","","","","0.998","","","","has coordinates","177755","2020-10-21","18:00:00",""
"7223866","17.256","0.004","23.227","0.006","25.426","0.006","90","","90","","90","","10191","4","100","2","100","2","","","","","","","synthesis as described","5","P n n m","-P 2 2n","58","","Poly{[diaquatris(mu4-biphenyl-4,4'-dicarboxylato-kO:kO':kO'':kO''')dimethylformamide(mu4-oxo)tetrazinc(II)]heptakisdimethylformamidetrihydrate}","","- C66 H88 N8 O25 Zn4 -","- C47.4 H24 N1.8 O16.8 Zn4 -","- C189.6 H96 N7.2 O67.2 Zn16 -","4","0.5","","Fernández, Belén; Beobide, Garikoitz; Sánchez, Ignacio; Carrasco-Marín, Francisco; Seco, José M.; Calahorro, Antonio J.; Cepeda, Javier; Rodríguez-Diéguez, Antonio","Controlling interpenetration for tuning porosity and luminescence properties of flexible MOFs based on biphenyl-4,4′-dicarboxylic acid","CrystEngComm","2016","18","8","1282","","10.1039/C5CE02036K","","","0.71073","MoKα","","0.0747","0.0711","","","0.1975","0.2018","","","","","","1.09","","","","has coordinates,has disorder","177755","2020-10-21","18:00:00",""
"7223867","17.726","0.002","17.726","0.002","38.491","0.005","90","","90","","90","","12094","2","298","2","298","2","","","","","","","","6","I 41/a m d","-I 4bd 2","141","","","","- C24 H54 Co6 F12 N8 O43 -","- C24 H54 Co6 F12 N8 O43 -","- C192 H432 Co48 F96 N64 O344 -","8","","","Cai, Song-Liang; Zheng, Sheng-Run; Fan, Jun; Zeng, Rong-Hua; Zhang, Wei-Guang","Two new three-dimensional metal‒organic frameworks with 4-connected diamondoid and unusual (6,16)-connected net topologies based on planar tetranuclear squares as secondary building units","CrystEngComm","2016","18","7","1174","","10.1039/C5CE02138C","","","0.71073","MoKα","","0.0802","0.0531","","","0.1439","0.166","","","","","","1.038","","","","has coordinates","177737","2020-10-21","18:00:00",""
"7223868","32.9672","0.0002","32.9672","0.0002","32.9672","0.0002","90","","90","","90","","35829.9","0.4","153","2","153","2","","","","","","","","6","I -4 3 d","I -4bd 2c 3","220","","","","- C42 H24 F18 Mn7 N15 O24 -","- C42 H24 F18 Mn7 N15 O24 -","- C672 H384 F288 Mn112 N240 O384 -","16","0.333333","","Cai, Song-Liang; Zheng, Sheng-Run; Fan, Jun; Zeng, Rong-Hua; Zhang, Wei-Guang","Two new three-dimensional metal‒organic frameworks with 4-connected diamondoid and unusual (6,16)-connected net topologies based on planar tetranuclear squares as secondary building units","CrystEngComm","2016","18","7","1174","","10.1039/C5CE02138C","","","1.54178","CuKα","","0.1273","0.0795","","","0.1877","0.2056","","","","","","1.081","","","","has coordinates","177737","2020-10-21","18:00:00",""
"7223869","20.2531","0.0007","19.4998","0.0004","29.3833","0.0008","90","","122.99","0.003","90","","9733.4","0.6","100","1","100","1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C72 H62 Co4.5 N34 O12 W3 -","- C72 H54 Co4.5 N34 O12 W3 -","- C288 H216 Co18 N136 O48 W12 -","4","1","","Chorazy, Szymon; Hoczek, Anna; Kubicki, Maciej; Tokoro, Hiroko; Ohkoshi, Shin-ichi; Sieklucka, Barbara; Podgajny, Robert","The solvent effect on the structural and magnetic features of bidentate ligand-capped {CoII9[WV(CN)8]6} single-molecule magnets","CrystEngComm","2016","18","9","1495","","10.1039/C5CE02064F","","x-ray","0.71073","MoKα","","0.1443","0.0855","","","0.1817","0.2134","","","","","","1.06","","","","has coordinates","177767","2020-10-21","18:00:00",""
"7223870","19.0923","0.0003","20.3195","0.0004","31.5482","0.0006","72.427","0.001","77.063","0.001","68.621","0.001","10775.3","0.4","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C164.5 H169.5 Co9 N72.5 O28.5 W6 -","- C164.5 H142.5 Co9 N72.5 O28.5 W6 -","- C329 H285 Co18 N145 O57 W12 -","2","1","","Chorazy, Szymon; Hoczek, Anna; Kubicki, Maciej; Tokoro, Hiroko; Ohkoshi, Shin-ichi; Sieklucka, Barbara; Podgajny, Robert","The solvent effect on the structural and magnetic features of bidentate ligand-capped {CoII9[WV(CN)8]6} single-molecule magnets","CrystEngComm","2016","18","9","1495","","10.1039/C5CE02064F","","x-ray","0.71075","MoKα","","0.0458","0.0371","","","0.0885","0.0979","","","","","","1.04","","","","has coordinates","177767","2020-10-21","18:00:00",""
"7223871","19.4379","0.0004","35.2593","0.0009","30.9195","0.0006","90","","91.67","0.006","90","","21182.2","0.8","100","2","100","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C165 H164.5 Co9 N69.5 O24 W6 -","- C165 H118.5 Co9 N69.5 O24 W6 -","- C660 H474 Co36 N278 O96 W24 -","4","1","","Chorazy, Szymon; Hoczek, Anna; Kubicki, Maciej; Tokoro, Hiroko; Ohkoshi, Shin-ichi; Sieklucka, Barbara; Podgajny, Robert","The solvent effect on the structural and magnetic features of bidentate ligand-capped {CoII9[WV(CN)8]6} single-molecule magnets","CrystEngComm","2016","18","9","1495","","10.1039/C5CE02064F","","x-ray","0.71075","MoKα","","0.1307","0.107","","","0.2028","0.2123","","","","","","1.187","","","","has coordinates,has disorder","177767","2020-10-21","18:00:00",""
"7223872","9.7748","0.001","36.406","0.003","6.5704","0.0006","90","","90","","90","","2338.2","0.4","293","2","293","2","","","","","","","","4","P 21 21 2","P 2 2ab","18","","","","- C26 H34 O3 S -","- C26 H34 O3 S -","- C104 H136 O12 S4 -","4","1","","Huang, Mingming; Hu, Liangzhen; Shen, Hang; Liu, Qing; Hussain, Muhammad Ijaz; Pan, Jing; Xiong, Yan","Sulfination of alcohols with sodium sulfinates promoted by BF3·OEt2: an unexpected access","Green Chem.","2016","18","7","1874","","10.1039/C5GC02846A","","","0.71073","MoKα","","0.0657","0.0566","","","0.1607","0.1695","","","","","","1.097","","","","has coordinates","181747","2020-10-21","18:00:00",""
"7223873","9.0687","0.0006","10.7492","0.0007","12.4376","0.0013","114.884","0.008","102.785","0.007","95.489","0.005","1047.9","0.17","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C29 H20 N2 O -","- C29 H20 N2 O -","- C58 H40 N4 O2 -","2","1","","Francos, Javier; García-Garrido, Sergio E; Borge, Javier; Suárez, Francisco J; Cadierno, Victorio","Butadiene dyes based on 3-(dicyanomethylidene)indan-1-one and 1,3-bis(dicyanomethylidene)indane: Synthesis, characterization and solvatochromic behaviour","RSC Adv.","2016","","","","","10.1039/C5RA27005G","","","1.5418","CuKα","","0.0635","0.0512","","","0.1398","0.1468","","","","","","1.014","","","","has coordinates","174413","2020-10-21","18:00:00",""
"7223874","5.4077","0.0002","9.7318","0.0003","22.3871","0.0006","89.248","0.002","89.554","0.003","80.152","0.003","1160.68","0.06","297","3","297","3","","","","","","","","4","P -1","-P 1","2","","","","- C30 H14 F2 N4 -","- C30 H14 F2 N4 -","- C60 H28 F4 N8 -","2","1","","Francos, Javier; García-Garrido, Sergio E; Borge, Javier; Suárez, Francisco J; Cadierno, Victorio","Butadiene dyes based on 3-(dicyanomethylidene)indan-1-one and 1,3-bis(dicyanomethylidene)indane: Synthesis, characterization and solvatochromic behaviour","RSC Adv.","2016","","","","","10.1039/C5RA27005G","","","1.54184","CuKα","","0.0487","0.0446","","","0.1175","0.1248","","","","","","1.04","","","","has coordinates","174413","2020-10-21","18:00:00",""
"7223875","5.3517","0.001","12.832","0.003","13.987","0.003","84.942","0.006","89.208","0.006","84.987","0.006","953.1","0.4","293","","293","","","","","","","","","5","P -1","-P 1","2","","HB-UC-2","","- C19 H19 N5 O4 S -","- C19 H19 N5 O4 S -","- C38 H38 N10 O8 S2 -","2","1","","Chaube, Udit J.; Vyas, Vivek Kumar; BHATT, HARDIK GIRISHKUMAR","Design and Synthesis of Potent N-Phenylpyrimidine Derivatives for the Treatment of Skin Cancer","RSC Adv.","2016","","","","","10.1039/C5RA27017K","","","0.71075","MoKα","","","0.1382","","","","0.4083","","","","","","1.023","","","","has coordinates","174414","2020-10-21","18:00:00",""
"7223876","16.6133","0.001","6.9533","0.0004","19.4632","0.0011","90","","106.99","0.001","90","","2150.2","0.2","173","","173","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","aripiprazole; 7-(4-(4-(2,3-dichlorophenyl)-1-piperazinyl)butoxy)-3,4-dihydrocarbostyril","7-(4-(4-(2,3-Dichlorophenyl)-1-piperazinyl)butoxy)-3,4-dihydro-2(1H)-quinolinone","","- C23 H27 Cl2 N3 O2 -","- C23 H27 Cl2 N3 O2 -","- C92 H108 Cl8 N12 O8 -","4","1","","Zeidan, T. A.; Trotta, J. T.; Tilak, P. A.; Oliveira, M. A.; Chiarella, R. A.; Foxman, B. M.; Almarsson, Ö.; Hickey, M. B.","An unprecedented case of dodecamorphism: the twelfth polymorph of aripiprazole formed by seeding with its active metabolite","CrystEngComm","2016","18","9","1486","","10.1039/C5CE02467F","","","0.71073","MoKα","","0.0462","0.0345","","0.0824","0.0767","0.0824","","","","","","0.9636","","","","has coordinates,has disorder","177759","2020-10-21","18:00:00",""
"7223877","7.7282","0.0006","10.7005","0.0008","15.4954","0.0012","83.863","0.001","78.191","0.001","73.576","0.001","1201.46","0.16","173","2","173","2","","","","","","","","5","P -1","-P 1","2","aripiprazole 1-propanol solvate; 7-(4-(4-(2,3-dichlorophenyl)-1-piperazinyl)butoxy)-3,4-dihydrocarbostyril 1-propanol solvate","7-(4-(4-(2,3-dichlorophenyl)-1-piperazinyl)butoxy)-3,4-dihydroquinolin-2(1H)-one 1-propanol solvate","","- C24.5 H30.5 Cl2 N3 O2.5 -","- C24.5 H30.5 Cl2 N3 O2.5 -","- C49 H61 Cl4 N6 O5 -","2","1","","Zeidan, T. A.; Trotta, J. T.; Tilak, P. A.; Oliveira, M. A.; Chiarella, R. A.; Foxman, B. M.; Almarsson, Ö.; Hickey, M. B.","An unprecedented case of dodecamorphism: the twelfth polymorph of aripiprazole formed by seeding with its active metabolite","CrystEngComm","2016","18","9","1486","","10.1039/C5CE02467F","","x-ray","0.71073","MoKα","","0.0611","0.0411","","","0.0972","0.1099","","","","","","1.034","","","","has coordinates","177759","2020-10-21","18:00:00",""
"7223878","14.4563","0.0014","24.746","0.002","14.626","0.002","90","","112.294","0.006","90","","4841.1","0.9","150","2","150","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","phthalonitrile","","","- C30 H12 N6 O3 -","- C30 H12 N6 O3 -","- C240 H96 N48 O24 -","8","1","","Köç, Muzaffer; Zorlu, Yunus; İşci, Ümit; Berber, Savaş; Ahsen, Vefa; Dumoulin, Fabienne","A library of dimeric and trimeric phthalonitriles linked by a single aromatic ring: comparative structural and DFT investigations","CrystEngComm","2016","18","8","1416","","10.1039/C5CE02261D","","","0.71073","MoKα","","0.1219","0.0539","","","0.1045","0.1294","","","","","","1.039","","","","has coordinates","177754","2020-10-21","18:00:00",""
"7223879","8.0768","0.0005","8.5809","0.0005","13.4764","0.0008","74.672","0.003","88.214","0.003","77.262","0.003","878.24","0.09","150","2","150","2","","","","","","","","4","P -1","-P 1","2","phthalonitrile","","","- C22 H10 N4 O2 -","- C22 H10 N4 O2 -","- C44 H20 N8 O4 -","2","1","","Köç, Muzaffer; Zorlu, Yunus; İşci, Ümit; Berber, Savaş; Ahsen, Vefa; Dumoulin, Fabienne","A library of dimeric and trimeric phthalonitriles linked by a single aromatic ring: comparative structural and DFT investigations","CrystEngComm","2016","18","8","1416","","10.1039/C5CE02261D","","","0.71073","MoKα","","0.0353","0.0323","","","0.0815","0.0843","","","","","","1.099","","","","has coordinates","177754","2020-10-21","18:00:00",""
"7223880","10.2611","0.001","13.4117","0.0012","18.9648","0.0017","90","","101.601","0.006","90","","2556.6","0.4","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","phthalonitrile","","","- C30 H26 N4 O2 -","- C30 H26 N4 O2 -","- C120 H104 N16 O8 -","4","1","","Köç, Muzaffer; Zorlu, Yunus; İşci, Ümit; Berber, Savaş; Ahsen, Vefa; Dumoulin, Fabienne","A library of dimeric and trimeric phthalonitriles linked by a single aromatic ring: comparative structural and DFT investigations","CrystEngComm","2016","18","8","1416","","10.1039/C5CE02261D","","","0.71073","MoKα","","0.0909","0.0496","","","0.1109","0.1277","","","","","","1.08","","","","has coordinates","177754","2020-10-21","18:00:00",""
"7223881","20.9421","0.0011","5.0644","0.0003","32.897","0.0019","90","","90","","90","","3489","0.3","150","2","150","2","","","","","","","","4","P n a 21","P 2c -2n","33","phthalonitrile","","","- C22 H10 N4 O2 -","- C22 H10 N4 O2 -","- C176 H80 N32 O16 -","8","2","","Köç, Muzaffer; Zorlu, Yunus; İşci, Ümit; Berber, Savaş; Ahsen, Vefa; Dumoulin, Fabienne","A library of dimeric and trimeric phthalonitriles linked by a single aromatic ring: comparative structural and DFT investigations","CrystEngComm","2016","18","8","1416","","10.1039/C5CE02261D","","","0.71073","MoKα","","0.079","0.045","","","0.0758","0.0869","","","","","","1.035","","","","has coordinates","177754","2020-10-21","18:00:00",""
"7223882","13.7511","0.0006","7.3953","0.0003","17.5013","0.0008","90","","91.983","0.002","90","","1778.7","0.13","148","2","148","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","phthalonitrile","","","- C22 H10 N4 O2 -","- C22 H10 N4 O2 -","- C88 H40 N16 O8 -","4","0.5","","Köç, Muzaffer; Zorlu, Yunus; İşci, Ümit; Berber, Savaş; Ahsen, Vefa; Dumoulin, Fabienne","A library of dimeric and trimeric phthalonitriles linked by a single aromatic ring: comparative structural and DFT investigations","CrystEngComm","2016","18","8","1416","","10.1039/C5CE02261D","","","0.71073","MoKα","","0.0384","0.0341","","","0.0944","0.098","","","","","","1.109","","","","has coordinates","177754","2020-10-21","18:00:00",""
"7223883","31.3553","0.0012","31.3553","0.0012","21.721","0.0008","90","","90","","90","","21355.1","1.4","100","2","100","2","","","","","","","","10","P -4 21 m","P -4 2ab","113","","","","- C296 H264 B11 Co4 F80 N80 Na O16 P6 Ru4 -","- C296 H264 B7 Co4 F64 N80 Na O16 P6 Ru4 -","- C592 H528 B14 Co8 F128 N160 Na2 O32 P12 Ru8 -","2","0.25","","Metherell, Alexander; Ward, Michael D.","Stepwise synthesis of mixed-metal assemblies using pre-formed Ru(II) ‘complex ligands’ as building blocks","RSC Adv.","2016","","","","","10.1039/C5RA22694E","","","0.71073","MoKα","","0.1115","0.0794","","","0.2209","0.2499","","","","","","1.033","","","","has coordinates,has disorder","174499","2020-10-21","18:00:00",""
"7223884","26.036","0.005","27.068","0.006","42.869","0.01","84.34","0.005","88.764","0.005","87.336","0.008","30027","11","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C443 H399 B24 Co6 F96 N119 O25 Ru6 -","- C443 H393 B16 Co6 F64 N119 O25 Ru6 -","- C886 H786 B32 Co12 F128 N238 O50 Ru12 -","2","1","","Metherell, Alexander; Ward, Michael D.","Stepwise synthesis of mixed-metal assemblies using pre-formed Ru(II) ‘complex ligands’ as building blocks","RSC Adv.","2016","","","","","10.1039/C5RA22694E","","","0.71073","MoKα","","0.2405","0.1289","","","0.3298","0.4011","","","","","","1.062","","","","has coordinates,has disorder","174499","2020-10-21","18:00:00",""
"7223885","17.3091","0.0012","42.874","0.003","22.2336","0.0016","90","","103.101","0.0018","90","","16070","2","100","2","100","2","","","","","","","","10","P 1 21/c 1","-P 2ybc","14","","","","- C274 H235 B10 Co4 F76 N77 O2 P6 Ru4 S12 -","- C274 H231 B10 Co4 F76 N77 O2 P6 Ru4 S12 -","- C548 H462 B20 Co8 F152 N154 O4 P12 Ru8 S24 -","2","0.5","","Metherell, Alexander; Ward, Michael D.","Stepwise synthesis of mixed-metal assemblies using pre-formed Ru(II) ‘complex ligands’ as building blocks","RSC Adv.","2016","","","","","10.1039/C5RA22694E","","","0.6889","synchrotron","","0.1731","0.1088","","","0.28","0.3405","","","","","","1.021","","","","has coordinates,has disorder","174499","2020-10-21","18:00:00",""
"7223886","6.9542","0.0005","7.8665","0.0006","21.0214","0.0015","90","","95.599","0.004","90","","1144.49","0.15","173","2","173","2","","","","","","","","3","P 1 21 1","P 2yb","4","","3-[[4-(n-propyl)phenyl]ethynyl]estra-1,3,5(10)-trien-17-one","","- C29 H30 O -","- C29.015 H30.012 O -","- C58.03 H60.024 O2 -","2","1","","Ivanov, Anton; Boldt, Sebastian; Nisa, Zaib un; Shah, Syed; Ehlers, Peter; Villinger, Alexander; Schneider, Gyula; Wölfling, János; Rahman, Qamar; Iqbal, Jamshed; Langer, Peter","Synthesis and Phosphatase Inhibitory Activity of 3-Alkynylestrones and their Derivatives","RSC Adv.","2016","","","","","10.1039/C5RA25558A","","","0.71073","MoKα","","0.0913","0.0531","","","0.1184","0.1369","","","","","","1.016","","","","has coordinates,has disorder","174500","2020-10-21","18:00:00",""
"7223887","12.1041","0.0007","14.5758","0.001","16.2867","0.0009","84.266","0.005","84.771","0.004","67.853","0.006","2643.6","0.3","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C32 H27 Fe N O2 S -","- C32 H27 Fe N O2 S -","- C128 H108 Fe4 N4 O8 S4 -","4","2","","Misra, Rajneesh; Reddy, T. Sheshashena; Maragani, Ramesh; Dhokale, Bhausaheb; Shaikh, Mobin M.","Heteroatom‒Connected Ferrocenyl Substituted Naphthalimides","RSC Adv.","2016","","","","","10.1039/C5RA26369G","","","1.5418","CuKα","","0.0825","0.0572","","","0.1393","0.1604","","","","","","1.028","","","","has coordinates","182257","2020-10-21","18:00:00",""
"7223888","11.582","0.005","14.738","0.005","16.567","0.005","86.196","0.005","78.48","0.005","67.167","0.005","2553.6","1.6","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C32 H27 Fe N O3 -","- C32 H27 Fe N O3 -","- C128 H108 Fe4 N4 O12 -","4","2","","Misra, Rajneesh; Reddy, T. Sheshashena; Maragani, Ramesh; Dhokale, Bhausaheb; Shaikh, Mobin M.","Heteroatom‒Connected Ferrocenyl Substituted Naphthalimides","RSC Adv.","2016","","","","","10.1039/C5RA26369G","","","0.71073","MoKα","","0.072","0.0615","","","0.1633","0.1718","","","","","","1.087","","","","has coordinates","192220","2020-10-21","18:00:00",""
"7223889","28.746","0.003","10.5892","0.0009","16.2384","0.0015","90","","123.742","0.006","90","","4110.3","0.7","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C25 H22 F N O2 -","- C25 H22 F N O2 -","- C200 H176 F8 N8 O16 -","8","1","","Gattu, Radhakrishna; Basha R, Sidick; Ray Bagdi, Prasanta; Khan, Abu Taleb","One-pot three component regioselective synthesis of C1-functionalised 3-arylbenzo[f]quinoline","RSC Adv.","2016","","","","","10.1039/C5RA23413A","","","0.71073","MoKα","","0.21","0.0565","","","0.0845","0.1193","","","","","","0.954","","","","has coordinates","174502","2020-10-21","18:00:00",""
"7223890","10.3979","0.0002","13.6246","0.0003","13.7301","0.0002","90","","130.745","0.001","90","","1473.65","0.05","293","2","293","2","","","","","","","synthesis as described","5","P 1 21/c 1","-P 2ybc","14","","","","- C11 H23 N O5 P -","- C11 H23 N O5 P -","- C44 H92 N4 O20 P4 -","4","1","","Audran, Gérard; Bosco, Lionel; Brémond, Paul; Butscher, Teddy; Franconi, Jean-Michel; Kabitaev, Kuanysh; Marque, Sylvain R. A.; Mellet, Philippe; Parzy, Elodie; Santelli, Maurice; Thiaudière, Eric; Viel, Stéphane","β-Phosphorus hyperfine coupling constant in nitroxides: 5. Solvent effect","RSC Adv.","2016","6","7","5653","","10.1039/C5RA23521A","","x-ray","0.71073","MoKα","","0.0764","0.0519","","","0.1431","0.1718","","","","","","1.082","","","","has coordinates","174503","2020-10-21","18:00:00",""
"7223891","17.465","0.005","3.2929","0.0011","8.473","0.003","90","","103.824","0.012","90","","473.2","0.3","295","2","295","2","","","","","","","","4","C 1 2/m 1","-C 2y","12","Potassium iron Vanadium Sulfur","Potassium iron Vanadium Sulfur","","- Fe2 K S16 V8 -","- Fe2 K S16 V8 -","- Fe2 K S16 V8 -","1","0.125","","Sui, Lifang; Zhang, Xian; Tian, Zhangliu; Huang, Rongtie; Zhang, Hui; Cheng, Jinrong; Huang, Fu Qiang","Synthesis, Crystal Structure and Physical Properties of FeV4S8 and KFe2V8S16","RSC Adv.","2016","","","","","10.1039/C5RA22619H","","","0.71073","MoKα","","0.0171","0.0161","","","0.0423","0.0427","","","","","","1.102","","","","has coordinates","174504","2020-10-21","18:00:00",""
"7223892","7.9","0.0011","6.6425","0.0011","8.0327","0.0011","90","","91.202","0.005","90","","421.43","0.11","293","2","293","2","","","","","","","","3","I 1 2/m 1","-I 2y","12","","","","- Fe S8 V4 -","- Fe S8 V4 -","- Fe2 S16 V8 -","2","0.25","","Sui, Lifang; Zhang, Xian; Tian, Zhangliu; Huang, Rongtie; Zhang, Hui; Cheng, Jinrong; Huang, Fu Qiang","Synthesis, Crystal Structure and Physical Properties of FeV4S8 and KFe2V8S16","RSC Adv.","2016","","","","","10.1039/C5RA22619H","","","0.71073","MoKα","","0.0412","0.0308","","","0.0642","0.0679","","","","","","1.074","","","","has coordinates","209173","2020-10-21","18:00:00",""
"7223893","9.8229","0.0002","11.4914","0.0002","16.3886","0.0003","94.801","0.005","103.133","0.004","97.661","0.005","1772.97","0.07","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C36 H35 La N4 O13 -","- C36 H35 La N4 O13 -","- C72 H70 La2 N8 O26 -","2","1","","Karmakar, Anirban; Hazra, Susanta; Guedes da Silva, M. Fátima C.; Paul, Anup; Pombeiro, Armando J. L.","Nanoporous lanthanide metal‒organic frameworks as efficient heterogeneous catalysts for the Henry reaction","CrystEngComm","2016","18","8","1337","","10.1039/C5CE01456E","","","0.71069","MoKα","","0.0622","0.0543","","","0.1546","0.1588","","","","","","0.963","","","","has coordinates","177751","2020-10-21","18:00:00",""
"7223894","9.8826","0.0002","11.5594","0.0003","16.3655","0.0004","94.257","0.001","103.951","0.001","97.86","0.002","1786.14","0.07","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C36 H35 Ce N4 O13 -","- C36 H35 Ce N4 O13 -","- C72 H70 Ce2 N8 O26 -","2","1","","Karmakar, Anirban; Hazra, Susanta; Guedes da Silva, M. Fátima C.; Paul, Anup; Pombeiro, Armando J. L.","Nanoporous lanthanide metal‒organic frameworks as efficient heterogeneous catalysts for the Henry reaction","CrystEngComm","2016","18","8","1337","","10.1039/C5CE01456E","","","0.71073","MoKα","","0.0561","0.0505","","","0.148","0.1516","","","","","","1.078","","","","has coordinates","177751","2020-10-21","18:00:00",""
"7223895","27.0059","0.0007","27.0059","0.0007","27.0059","0.0007","90","","90","","90","","19695.9","0.9","150","2","150","2","","","","","","","","5","I a -3","-I 2b 2c 3","206","","","","- C31 H43 La N6 O14 -","- C20 H14 La N2 O10 -","- C480 H336 La24 N48 O240 -","24","0.5","","Karmakar, Anirban; Hazra, Susanta; Guedes da Silva, M. Fátima C.; Paul, Anup; Pombeiro, Armando J. L.","Nanoporous lanthanide metal‒organic frameworks as efficient heterogeneous catalysts for the Henry reaction","CrystEngComm","2016","18","8","1337","","10.1039/C5CE01456E","","","0.71073","MoKα","","0.0844","0.0648","","","0.1907","0.223","","","","","","1.049","","","","has coordinates,has disorder","177751","2020-10-21","18:00:00",""
"7223896","26.921","0.002","26.921","0.002","26.921","0.002","90","","90","","90","","19511","3","150","2","150","2","","","","","","","","5","I a -3","-I 2b 2c 3","206","","","","- C29 H36 Ce N5 O13 -","- C20 H14 Ce N2 O10 -","- C480 H336 Ce24 N48 O240 -","24","0.5","","Karmakar, Anirban; Hazra, Susanta; Guedes da Silva, M. Fátima C.; Paul, Anup; Pombeiro, Armando J. L.","Nanoporous lanthanide metal‒organic frameworks as efficient heterogeneous catalysts for the Henry reaction","CrystEngComm","2016","18","8","1337","","10.1039/C5CE01456E","","","0.71073","MoKα","","0.0588","0.0496","","","0.1343","0.1456","","","","","","1.073","","","","has coordinates,has disorder","177751","2020-10-21","18:00:00",""
"7223897","26.681","0.003","26.681","0.003","26.681","0.003","90","","90","","90","","18994","4","150","2","150","2","","","","","","","","5","I a -3","-I 2b 2c 3","206","","","","- C23 H24 N5 O13 Sm -","- C20 H14 N2 O10 Sm -","- C480 H336 N48 O240 Sm24 -","24","0.5","","Karmakar, Anirban; Hazra, Susanta; Guedes da Silva, M. Fátima C.; Paul, Anup; Pombeiro, Armando J. L.","Nanoporous lanthanide metal‒organic frameworks as efficient heterogeneous catalysts for the Henry reaction","CrystEngComm","2016","18","8","1337","","10.1039/C5CE01456E","","","0.71073","MoKα","","0.0741","0.0452","","","0.1152","0.1283","","","","","","1.025","","","","has coordinates,has disorder","177751","2020-10-21","18:00:00",""
"7223898","25.917","0.003","25.917","0.003","30.915","0.004","90","","90","","120","","17983","4","173","2","173","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C33 H43 N8 O13.17 Sm -","- C33 H43 N8 O13.1667 Sm -","- C594 H774 N144 O237 Sm18 -","18","1","","Masuya-Suzuki, Atsuko; Matsubara, Nozomi; Karashimada, Ryunosuke; Hoshino, Hitoshi; Iki, Nobuhiko","Topological modulation of the porous structure of a coordination polymer constructed from a flexible building block via framework‒guest interaction during self-assembly","CrystEngComm","2016","18","6","872","","10.1039/C5CE01804H","","","0.71073","MoKα","","0.079","0.0496","","","0.1197","0.138","","","","","","1.049","","","","has coordinates,has disorder","175963","2020-10-21","18:00:00",""
"7223899","25.758","0.004","25.758","0.004","30.055","0.004","90","","90","","120","","17269","4","173","2","173","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C30.33 H36.53 N7 O12.5 Sm -","- C30.3333 H36.99 N7 O12.5 Sm -","- C546 H665.82 N126 O225 Sm18 -","18","1","","Masuya-Suzuki, Atsuko; Matsubara, Nozomi; Karashimada, Ryunosuke; Hoshino, Hitoshi; Iki, Nobuhiko","Topological modulation of the porous structure of a coordination polymer constructed from a flexible building block via framework‒guest interaction during self-assembly","CrystEngComm","2016","18","6","872","","10.1039/C5CE01804H","","","0.71073","MoKα","","0.1306","0.0502","","","0.0925","0.1239","","","","","","1.003","","","","has coordinates,has disorder","175963","2020-10-21","18:00:00",""
"7223900","7.195","0.003","27.428","0.009","10.889","0.004","90","","107.89","0.007","90","","2045","1.3","100","2","100","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C22 H14 Hg N6 S2 -","- C22 H14 Hg N6 S2 -","- C88 H56 Hg4 N24 S8 -","4","1","","Zhang, Guoqi; Tan, Jiawen; Phoenix, Tonya; Manke, David; Golen, James A.; Rheingold, Arnold L.","Amalgamating 4'-substituted 4,2':6',4''-terpyridine ligands with double-helical chains or ladder-like networks","RSC Adv.","2016","","","","","10.1039/C5RA24044A","","","0.71073","MoKα","","0.0755","0.0579","","","0.1307","0.1391","","","","","","1.095","","","","has coordinates","174525","2020-10-21","18:00:00",""
"7223901","14.4085","0.0004","14.5536","0.0005","22.9421","0.0007","90","","99.922","0.001","90","","4738.9","0.3","200","2","200","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C24 H15 Hg N5 O2 S2 -","- C24 H15 Hg N5 O2 S2 -","- C192 H120 Hg8 N40 O16 S16 -","8","2","","Zhang, Guoqi; Tan, Jiawen; Phoenix, Tonya; Manke, David; Golen, James A.; Rheingold, Arnold L.","Amalgamating 4'-substituted 4,2':6',4''-terpyridine ligands with double-helical chains or ladder-like networks","RSC Adv.","2016","","","","","10.1039/C5RA24044A","","","1.54178","CuKα","","0.0672","0.0554","","","0.127","0.1355","","","","","","1.081","","","","has coordinates,has disorder","174525","2020-10-21","18:00:00",""
"7223902","31.4424","0.001","7.9438","0.0003","20.526","0.0006","90","","124.26","0.0005","90","","4237.3","0.2","200","2","200","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C23 H15 Hg N5 S2 -","- C23 H15 Hg N5 S2 -","- C184 H120 Hg8 N40 S16 -","8","1","","Zhang, Guoqi; Tan, Jiawen; Phoenix, Tonya; Manke, David; Golen, James A.; Rheingold, Arnold L.","Amalgamating 4'-substituted 4,2':6',4''-terpyridine ligands with double-helical chains or ladder-like networks","RSC Adv.","2016","","","","","10.1039/C5RA24044A","","","1.54178","CuKα","","0.0351","0.0346","","","0.0954","0.096","","","","","","1.095","","","","has coordinates","174525","2020-10-21","18:00:00",""
"7223903","7.3024","0.0013","26.158","0.005","11.2559","0.0019","90","","108.694","0.01","90","","2036.6","0.6","100","2","100","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","GZ-455","","","- C22 H13 Hg N6 S2 -","- C22 H13 Hg N6 S2 -","- C88 H52 Hg4 N24 S8 -","4","1","","Zhang, Guoqi; Tan, Jiawen; Phoenix, Tonya; Manke, David; Golen, James A.; Rheingold, Arnold L.","Amalgamating 4'-substituted 4,2':6',4''-terpyridine ligands with double-helical chains or ladder-like networks","RSC Adv.","2016","","","","","10.1039/C5RA24044A","","","0.71073","MoKα","","0.1","0.0743","","","0.1396","0.147","","","","","","1.263","","","","has coordinates,has disorder","174525","2020-10-21","18:00:00",""
"7223904","28.2486","0.0017","8.1596","0.0003","22.5028","0.0011","90","","99.253","0.002","90","","5119.3","0.4","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C25.5 H20.5 Cl Hg N6 S2 -","- C25.5 H20.5 Cl Hg N6 S2 -","- C204 H164 Cl8 Hg8 N48 S16 -","8","1","","Zhang, Guoqi; Tan, Jiawen; Phoenix, Tonya; Manke, David; Golen, James A.; Rheingold, Arnold L.","Amalgamating 4'-substituted 4,2':6',4''-terpyridine ligands with double-helical chains or ladder-like networks","RSC Adv.","2016","","","","","10.1039/C5RA24044A","","","0.71073","MoKα","","0.0268","0.0233","","","0.0715","0.0742","","","","","","1.005","","","","has coordinates","174525","2020-10-21","18:00:00",""
"7223905","17.3297","0.0008","9.121","0.0006","20.287","0.001","90","","92.608","0.004","90","","3203.3","0.3","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","1'-((1-(7-chloroquinolin-4-yl)-1H-1,2,3-triazol-4-yl)methyl)-6b,7,8,9-tetrahydro-6H-spiro[chromeno[3,4-a]pyrrolizine-11,3'-indoline]-2',6(6aH,11aH)-dione (5e)","","- C34 H27 Cl3 N6 O3 -","- C34 H27 Cl3 N6 O3 -","- C136 H108 Cl12 N24 O12 -","4","1","","M, Rajeswari; ghalawat, Sudesh kumari; Khurana, Jitender","One-pot four component domino strategy for the synthesis of novel spirooxindole pyrrolizine linked 1,2,3-triazoles via stereo- and regioselective [3+2] cycloaddition reaction in acidic Medium.","RSC Adv.","2016","","","","","10.1039/C5RA26093K","","","0.71073","MoKα","","0.1793","0.1009","","","0.2792","0.331","","","","","","0.955","","","","has coordinates","174526","2020-10-21","18:00:00",""
"7223906","19.21","0.0005","19.21","","6.9158","0.0002","90","","90","","90","","2552.1","0.1","100","2","100","2","","","","","","","","4","P 4/n m m :2","-P 4a 2a","129","","","","- C9 H9 Cu2 O9 -","- C9 H5 Cu2 O9 -","- C72 H40 Cu16 O72 -","8","0.5","","Ahmed, Adham; Robertson, Craig; Steiner, Alexander; Whittles, Thomas; Ho, Alexandra; Dhanak, Vidod; Zhang, Haifei","Cu(I)Cu(II)BTC, a microporous mixed-valence MOF via reduction of HKUST-1","RSC Adv.","2016","","","","","10.1039/C5RA23754H","","","0.71073","MoKα","","0.0455","0.0397","","","0.1015","0.105","","","","","","1.03","","","","has coordinates","174527","2020-10-21","18:00:00",""
"7223907","11.291","0.002","11.448","0.002","11.816","0.002","108.288","0.003","90.856","0.003","96.519","0.003","1438.7","0.4","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C26 H34 Ag F6 N4 O2 P -","- C26 H34 Ag F6 N4 O2 P -","- C52 H68 Ag2 F12 N8 O4 P2 -","2","1","","liu, qingxiang; Chen, Jun-Ren; Sun, Xiao-Feng; Zhao, Xiaojun; Zhao, Zhi-Xiang; Cai, Kang-Qing","A NHC silver(I) macrometallocycle: synthesis, structure and selective recognition of iodide anion","RSC Adv.","2016","","","","","10.1039/C5RA23814E","","","0.71073","MoKα","","0.0423","0.0382","","","0.0978","0.1016","","","","","","1.042","","","","has coordinates,has disorder","174528","2020-10-21","18:00:00",""
"7223908","11.218","0.003","19.743","0.005","13.558","0.004","90","","113.822","0.009","90","","2747","1.3","123","2","123","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C38 H24 F N O -","- C38 H24 F N O -","- C152 H96 F4 N4 O4 -","4","1","","zhang, ran; Zhao, Yun; Li, Guo-Ling; Yang, Daisheng; Ni, Zhong-Hai","A new series of pyrenyl-based triarylamines: syntheses, structures, optical properties, electrochemistry and electroluminescence","RSC Adv.","2016","","","","","10.1039/C5RA26017E","","","0.71073","MoKα","","0.1187","0.0727","","","0.2242","0.2472","","","","","","1","","","","has coordinates","174529","2020-10-21","18:00:00",""
"7223909","10.979","0.002","11.264","0.002","12.763","0.003","115.84","0.03","110.99","0.03","90.42","0.03","1301","0.7","123","2","123","2","","","","","","","","3","P -1","-P 1","2","","","","- C39 H25 N -","- C39 H25 N -","- C78 H50 N2 -","2","1","","zhang, ran; Zhao, Yun; Li, Guo-Ling; Yang, Daisheng; Ni, Zhong-Hai","A new series of pyrenyl-based triarylamines: syntheses, structures, optical properties, electrochemistry and electroluminescence","RSC Adv.","2016","","","","","10.1039/C5RA26017E","","","0.71073","MoKα","","0.0672","0.0497","","","0.1032","0.1119","","","","","","0.972","","","","has coordinates","174529","2020-10-21","18:00:00",""
"7223910","10.92","0.002","11.212","0.002","12.802","0.003","115.66","0.03","106.77","0.03","90.89","0.03","1334.7","0.7","123","2","123","2","","","","","","","","4","P -1","-P 1","2","","","","- C39 H25 N O -","- C39 H25 N O -","- C78 H50 N2 O2 -","2","1","","zhang, ran; Zhao, Yun; Li, Guo-Ling; Yang, Daisheng; Ni, Zhong-Hai","A new series of pyrenyl-based triarylamines: syntheses, structures, optical properties, electrochemistry and electroluminescence","RSC Adv.","2016","","","","","10.1039/C5RA26017E","","","0.71073","MoKα","","0.0715","0.0629","","","0.157","0.1645","","","","","","1.038","","","","has coordinates","174529","2020-10-21","18:00:00",""
"7223911","12.5531","0.0002","12.7129","0.0002","15.2681","0.0002","90","","111.566","0.0007","90","","2266","0.06","173","","173","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","M4_Acetone","","","- C26 H23 B F4 N2 O3 -","- C26 H23 B F4 N2 O3 -","- C104 H92 B4 F16 N8 O12 -","4","1","","Takagi, Koji; Yamauchi, Koji; Kubota, Seiko; Nagano, Shusaku; Hara, Mitsuo; Seki, Takahiro; Murakami, Kazuya; Ooyama, Yousuke; Ohshita, Joji; Kondo, Masaharu; Masu, Hyuma","Fused π-Conjugated Imidazolium Liquid Crystals: Synthesis, Self-Organization, and Fluorescent Properties","RSC Adv.","2016","","","","","10.1039/C5RA25496E","","","1.54178","CuKα","","0.0531","0.0453","","","0.1266","0.1345","","","","","","1.037","","","","has coordinates","174530","2020-10-21","18:00:00",""
"7223912","24.5332","","5.2575","","22.0935","","90","","112.626","","90","","2630.37","","298.15","","298.15","","","","","","","","flavonoids","4","P 1 21/a 1","-P 2yab","14","QUER-NICO","Quercetin-NIcotinamide cocrystal","","- C21 H16 N2 O8 -","- C84 H64 N8 O32 -","- C336 H256 N32 O128 -","4","1","","Vasisht, Karan; chadha, kunal; Karan, Maninder; Chadha, Renu; Bhalla, Yashika; Jena, Ashish","Enhancing biopharmaceutical parameters of bioflavonoid quercetin by cocrystallization.","CrystEngComm","2016","","","","","10.1039/C5CE01899D","powder diffraction","x-ray","1.5046","CuK/a~1~","","","","","","","","","","","","","","","","","has coordinates","206173","2020-10-21","18:00:00",""
"7223913","12.6465","","7.9602","","5.3536","","58.9404","","92.1712","","99.689","","454.322","","498.15","","498.15","","","","","","","","Flavonoids, plants and fruits","4","P 1","P 1","1","QUER-PICO","Querecetin Picolinic acid cocrystal","","- C21 H15 N O9 -","- C21 H15 N O9 -","- C21 H15 N O9 -","1","1","","Vasisht, Karan; chadha, kunal; Karan, Maninder; Chadha, Renu; Bhalla, Yashika; Jena, Ashish","Enhancing biopharmaceutical parameters of bioflavonoid quercetin by cocrystallization.","CrystEngComm","2016","","","","","10.1039/C5CE01899D","powder diffraction","x-ray","1.5046","CuKα","","","","","","","","","","","","","","","","","has coordinates","174556","2020-10-21","18:00:00",""
"7223914","14.7998","","11.2379","","10.3512","","90","","90","","90","","1721.6","","298.15","","298.15","","","","","","","","flavonoids, plants, fruits","3","P n 21 a","P -2ac -2n","33","Quercetin Dehydrate","2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-4H-chromen-4-one","","- C15 H10 O7 -","- C60 H40 O28 -","- C240 H160 O112 -","4","1","","Vasisht, Karan; chadha, kunal; Karan, Maninder; Chadha, Renu; Bhalla, Yashika; Jena, Ashish","Enhancing biopharmaceutical parameters of bioflavonoid quercetin by cocrystallization.","CrystEngComm","2016","","","","","10.1039/C5CE01899D","powder diffraction","x-ray","1.5046","CuK/a~1~","","","","","","","","","","","","","","","","","has coordinates","174556","2020-10-21","18:00:00",""
"7223915","8.2134","0.0016","16.974","0.003","19.396","0.006","90","","101.13","0.03","90","","2653.2","1.1","293","2","293","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C32 H42 Cu2 N20 O13 -","- C32 H42 Cu2 N20 O13 -","- C64 H84 Cu4 N40 O26 -","2","0.25","","Yu, Tiantian; Wang, Shimin; Li, Xuemin; Gao, Xiaoli; Zhou, Chunlin; Cheng, Jiajia; Li, Baojun; Li, Jinpeng; Chang, Junbiao; Hou, Hongwei; Liu, Zhongyi","Roles of temperature, solvent, M/L ratios and anion in preparing complexes containing a Himta ligand","CrystEngComm","2016","18","8","1350","","10.1039/C5CE02277K","","","0.71073","MoKα","","0.1526","0.0788","","","0.2186","0.2485","","","","","","0.986","","","","has coordinates","177756","2020-10-21","18:00:00",""
"7223916","4.8427","0.001","9.4938","0.0019","20.097","0.004","90","","92.37","0.03","90","","923.2","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H16 Co N10 O4 -","- C16 H16 Co N10 O4 -","- C32 H32 Co2 N20 O8 -","2","0.5","","Yu, Tiantian; Wang, Shimin; Li, Xuemin; Gao, Xiaoli; Zhou, Chunlin; Cheng, Jiajia; Li, Baojun; Li, Jinpeng; Chang, Junbiao; Hou, Hongwei; Liu, Zhongyi","Roles of temperature, solvent, M/L ratios and anion in preparing complexes containing a Himta ligand","CrystEngComm","2016","18","8","1350","","10.1039/C5CE02277K","","","0.71073","MoKα","","0.0668","0.0563","","","0.1466","0.1544","","","","","","1.131","","","","has coordinates","177756","2020-10-21","18:00:00",""
"7223917","4.914","0.001","9.3923","0.0019","20.417","0.004","90","","92.66","0.03","90","","941.3","0.3","288","2","288","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H16 Mn N10 O4 -","- C16 H16 Mn N10 O4 -","- C32 H32 Mn2 N20 O8 -","2","0.5","","Yu, Tiantian; Wang, Shimin; Li, Xuemin; Gao, Xiaoli; Zhou, Chunlin; Cheng, Jiajia; Li, Baojun; Li, Jinpeng; Chang, Junbiao; Hou, Hongwei; Liu, Zhongyi","Roles of temperature, solvent, M/L ratios and anion in preparing complexes containing a Himta ligand","CrystEngComm","2016","18","8","1350","","10.1039/C5CE02277K","","","0.71073","MoKα","","0.0768","0.0577","","","0.1021","0.11","","","","","","1.127","","","","has coordinates","177756","2020-10-21","18:00:00",""
"7223918","4.9534","0.001","9.1796","0.0018","20.865","0.004","90","","93.9","0.03","90","","946.5","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H16 Cd N10 O4 -","- C16 H16 Cd N10 O4 -","- C32 H32 Cd2 N20 O8 -","2","0.5","","Yu, Tiantian; Wang, Shimin; Li, Xuemin; Gao, Xiaoli; Zhou, Chunlin; Cheng, Jiajia; Li, Baojun; Li, Jinpeng; Chang, Junbiao; Hou, Hongwei; Liu, Zhongyi","Roles of temperature, solvent, M/L ratios and anion in preparing complexes containing a Himta ligand","CrystEngComm","2016","18","8","1350","","10.1039/C5CE02277K","","","0.71073","MoKα","","0.0476","0.0365","","","0.066","0.0706","","","","","","1.135","","","","has coordinates","177756","2020-10-21","18:00:00",""
"7223919","10.487","0.002","23.35","0.005","8.3772","0.0017","90","","90","","90","","2051.3","0.7","293","2","293","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C16 H16 N10 O4 Pb -","- C16 H16 N10 O4 Pb -","- C64 H64 N40 O16 Pb4 -","4","0.5","","Yu, Tiantian; Wang, Shimin; Li, Xuemin; Gao, Xiaoli; Zhou, Chunlin; Cheng, Jiajia; Li, Baojun; Li, Jinpeng; Chang, Junbiao; Hou, Hongwei; Liu, Zhongyi","Roles of temperature, solvent, M/L ratios and anion in preparing complexes containing a Himta ligand","CrystEngComm","2016","18","8","1350","","10.1039/C5CE02277K","","","0.71073","MoKα","","0.0874","0.0508","","","0.0687","0.0794","","","","","","1.168","","","","has coordinates","177756","2020-10-21","18:00:00",""
"7223920","7.7702","0.0016","9.0412","0.0018","9.2461","0.0018","94.47","0.03","107.46","0.03","95.08","0.03","613.5","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H28 Co N10 O10 -","- C16 H28 Co N10 O10 -","- C16 H28 Co N10 O10 -","1","0.5","","Yu, Tiantian; Wang, Shimin; Li, Xuemin; Gao, Xiaoli; Zhou, Chunlin; Cheng, Jiajia; Li, Baojun; Li, Jinpeng; Chang, Junbiao; Hou, Hongwei; Liu, Zhongyi","Roles of temperature, solvent, M/L ratios and anion in preparing complexes containing a Himta ligand","CrystEngComm","2016","18","8","1350","","10.1039/C5CE02277K","","","0.71073","MoKα","","0.0422","0.037","","","0.0791","0.082","","","","","","1.056","","","","has coordinates","177756","2020-10-21","18:00:00",""
"7223921","7.8231","0.0016","9.0961","0.0018","9.2962","0.0019","94.66","0.03","107.53","0.03","95.54","0.03","623.6","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H28 Mn N10 O10 -","- C16 H28 Mn N10 O10 -","- C16 H28 Mn N10 O10 -","1","0.5","","Yu, Tiantian; Wang, Shimin; Li, Xuemin; Gao, Xiaoli; Zhou, Chunlin; Cheng, Jiajia; Li, Baojun; Li, Jinpeng; Chang, Junbiao; Hou, Hongwei; Liu, Zhongyi","Roles of temperature, solvent, M/L ratios and anion in preparing complexes containing a Himta ligand","CrystEngComm","2016","18","8","1350","","10.1039/C5CE02277K","","","0.71073","MoKα","","0.0455","0.0396","","","0.0892","0.0927","","","","","","1.099","","","","has coordinates","177756","2020-10-21","18:00:00",""
"7223922","7.7318","0.0015","8.9961","0.0018","9.1815","0.0018","94.4","0.03","107.22","0.03","95.01","0.03","604.1","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H28 N10 Ni O10 -","- C16 H28 N10 Ni O10 -","- C16 H28 N10 Ni O10 -","1","0.5","","Yu, Tiantian; Wang, Shimin; Li, Xuemin; Gao, Xiaoli; Zhou, Chunlin; Cheng, Jiajia; Li, Baojun; Li, Jinpeng; Chang, Junbiao; Hou, Hongwei; Liu, Zhongyi","Roles of temperature, solvent, M/L ratios and anion in preparing complexes containing a Himta ligand","CrystEngComm","2016","18","8","1350","","10.1039/C5CE02277K","","","0.71073","MoKα","","0.0595","0.0486","","","0.1042","0.1105","","","","","","1.086","","","","has coordinates","177756","2020-10-21","18:00:00",""
"7223923","7.7881","0.0016","9.038","0.0018","9.1899","0.0018","94.47","0.03","107.49","0.03","95.27","0.03","610.5","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H28 N10 O10 Zn -","- C16 H28 N10 O10 Zn -","- C16 H28 N10 O10 Zn -","1","0.5","","Yu, Tiantian; Wang, Shimin; Li, Xuemin; Gao, Xiaoli; Zhou, Chunlin; Cheng, Jiajia; Li, Baojun; Li, Jinpeng; Chang, Junbiao; Hou, Hongwei; Liu, Zhongyi","Roles of temperature, solvent, M/L ratios and anion in preparing complexes containing a Himta ligand","CrystEngComm","2016","18","8","1350","","10.1039/C5CE02277K","","","0.71073","MoKα","","0.0484","0.041","","","0.0803","0.084","","","","","","1.064","","","","has coordinates","177756","2020-10-21","18:00:00",""
"7223924","30.8851","0.0018","17.4665","0.001","20.3272","0.0014","90","","127.705","0.006","90","","8675.7","1.2","113","2","113","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C62 H46 N14 O14 Zn2 -","- C62 H46 N14 O14 Zn2 -","- C248 H184 N56 O56 Zn8 -","4","0.5","","Zhang, Le; Feng, Xue Feng; Meng, Pan Pan; Gong, Le Le; Luo, Feng","Thermodynamically stable MOF showing a highly rare four-connectedhxg-d-4-Cccmnet with self-penetration, polyrotaxane, and polycatenane multi-features","CrystEngComm","2016","18","10","1693","","10.1039/C5CE02413G","","","0.71073","MoKα","","0.1326","0.1108","","","0.2973","0.3102","","","","","","1.105","","","","has coordinates","177749","2020-10-21","18:00:00",""
"7223925","10.882","0.003","11.386","0.003","20.627","0.005","100.75","0.02","103.307","0.016","103.024","0.018","2345.3","1.1","148","2","148","2","","","","","","","","5","P -1","-P 1","2","","","","- C31 H21 N7 O6 Zn -","- C31 H21 N7 O6 Zn -","- C62 H42 N14 O12 Zn2 -","2","1","","Zhang, Le; Feng, Xue Feng; Meng, Pan Pan; Gong, Le Le; Luo, Feng","Thermodynamically stable MOF showing a highly rare four-connectedhxg-d-4-Cccmnet with self-penetration, polyrotaxane, and polycatenane multi-features","CrystEngComm","2016","18","10","1693","","10.1039/C5CE02413G","","","0.71073","MoKα","","0.1348","0.0806","","","0.2046","0.2256","","","","","","0.912","","","","has coordinates","177749","2020-10-21","18:00:00",""
"7223926","9.672","0.0009","13.729","0.001","13.997","0.001","94.881","0.004","102.916","0.003","101.498","0.003","1758.8","0.2","183.1","","","","","","","","","","","6","P -1","-P 1","2","","","","- C28 H28 Cu2 Dy N5 O20 -","- C28 H28 Cu2 Dy N5 O20 -","- C56 H56 Cu4 Dy2 N10 O40 -","2","1","","Gawai, U. P.; Khawal, H. A.; Shripathi, T.; Dole, B. N.","A study on the synthesis, pair distribution function and diverse properties of cobalt doped ZnS nanowires","CrystEngComm","2016","18","8","1439","","10.1039/C5CE02253C","","","0.7107","MoKα","","","0.0321","","","","0.0957","","","","","","1.001","","","","has coordinates","177758","2020-10-21","18:00:00",""
"7223927","22.6149","0.0019","6.6814","0.0006","13.5696","0.0012","90","","100.598","0.001","90","","2015.4","0.3","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C8 H30 N4 O13 P4 -","- C8 H30 N4 O13 P4 -","- C32 H120 N16 O52 P16 -","4","0.5","","Yuan, Liangjie; Tian, Di; Chen, Shuo-ping; Li, Lang","Hydrous salts of 1-aminoethylidenediphosphonic acid and piperazidine: temperature induced reversible structural transformation in humid environment","RSC Adv.","2016","","","","","10.1039/C5RA22428D","","","0.71073","MoKα","","0.028","0.0257","","","0.0732","0.0745","","","","","","1.1","","","","has coordinates","174566","2020-10-21","18:00:00",""
"7223928","5.7389","0.0014","9.985","0.002","11.457","0.003","115.505","0.004","94.461","0.004","92.251","0.004","588.8","0.2","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C4 H18 N2 O8 P2 -","- C4 H18 N2 O8 P2 -","- C8 H36 N4 O16 P4 -","2","1","","Yuan, Liangjie; Tian, Di; Chen, Shuo-ping; Li, Lang","Hydrous salts of 1-aminoethylidenediphosphonic acid and piperazidine: temperature induced reversible structural transformation in humid environment","RSC Adv.","2016","","","","","10.1039/C5RA22428D","","","0.71073","MoKα","","0.0371","0.0328","","","0.0821","0.0841","","","","","","1.065","","","","has coordinates","174566","2020-10-21","18:00:00",""
"7223929","8.3338","0.0008","29.562","0.003","9.0991","0.0008","90","","114.598","0.003","90","","2038.3","0.3","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C44 H54 Br4 N2 -","- C44 H54 Br4 N2 -","- C88 H108 Br8 N4 -","2","0.5","","Chen, Shiyan; Ni, Xin-Long","Development of an AIE based fluorescent probe for the detection of nitrate anions in aqueous solution over a wide pH range","RSC Adv.","2016","6","9","6997","","10.1039/C5RA23369K","","","0.71073","MoKα","","0.1215","0.0869","","","0.272","0.3042","","","","","","1.075","","","","has coordinates","174567","2020-10-21","18:00:00",""
"7223930","12.6905","0.0004","29.8425","0.0013","12.0229","0.0005","90","","90","","90","","4553.3","0.3","293","2","293","2","","","","","","","","5","P n n a","-P 2a 2bc","52","","","","- C48 H66 N2 O2 Zr -","- C48 H66 N2 O2 Zr -","- C192 H264 N8 O8 Zr4 -","4","0.5","","Zhang, Yu; Sun, Qiu; Wang, Yaorong; Yuan, Dan; Yao, Yingming; Shen, Qi","Intramolecular hydroamination reactions catalyzed by zirconium complexes bearing bridged bis(phenolato) ligands","RSC Adv.","2016","","","","","10.1039/C5RA23270H","","","0.71073","MoKα","","0.1392","0.096","","","0.1831","0.1934","","","","","","1.102","","","","has coordinates","174569","2020-10-21","18:00:00",""
"7223931","11.48","0.002","14.798","0.003","25.295","0.005","90","","90","","90","","4297.1","1.4","223","2","223","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C47 H62 N2 O2 Zr -","- C47 H62 N2 O2 Zr -","- C188 H248 N8 O8 Zr4 -","4","1","","Zhang, Yu; Sun, Qiu; Wang, Yaorong; Yuan, Dan; Yao, Yingming; Shen, Qi","Intramolecular hydroamination reactions catalyzed by zirconium complexes bearing bridged bis(phenolato) ligands","RSC Adv.","2016","","","","","10.1039/C5RA23270H","","","0.71073","MoKα","","0.0523","0.0475","","","0.1213","0.1262","","","","","","1.028","","","","has coordinates,has disorder","174569","2020-10-21","18:00:00",""
"7223932","15.02","0.007","9.275","0.004","15.524","0.007","90","","93.849","0.007","90","","2157.8","1.7","273","2","273","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H14 Co N3 O10 -","- C20 H14 Co N3 O10 -","- C80 H56 Co4 N12 O40 -","4","1","","Ansari, Istikhar A.; Sama, Farasha; Shahid, M.; Uddin, Rahis; Arif, Rizwan; Khalid, Mohd; Siddiqi, Zafar A.","Isolation of proton transfer complexes containing 4‒picolinium as cation and pyridine‒2,6‒dicarboxylate complex as anion: Crystallographic and spectral investigations, antioxidant activities and molecular docking studies","RSC Adv.","2016","","","","","10.1039/C5RA25939H","","x-ray","0.71073","MoKα","","0.0822","0.0604","","","0.1692","0.1903","","","","","","1.068","","","","has coordinates","174570","2020-10-21","18:00:00",""
"7223933","15.0469","0.0003","9.2868","0.0002","15.5703","0.0004","90","","94.011","0.001","90","","2170.43","0.08","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H14 Fe N3 O10 -","- C20 H14 Fe N3 O10 -","- C80 H56 Fe4 N12 O40 -","4","1","","Ansari, Istikhar A.; Sama, Farasha; Shahid, M.; Uddin, Rahis; Arif, Rizwan; Khalid, Mohd; Siddiqi, Zafar A.","Isolation of proton transfer complexes containing 4‒picolinium as cation and pyridine‒2,6‒dicarboxylate complex as anion: Crystallographic and spectral investigations, antioxidant activities and molecular docking studies","RSC Adv.","2016","","","","","10.1039/C5RA25939H","","","0.71073","MoKα","","0.0489","0.0399","","","0.1299","0.1395","","","","","","1.014","","","","has coordinates","174570","2020-10-21","18:00:00",""
"7223934","7.7175","0.0006","13.5383","0.0011","18.6624","0.0015","90","","90.132","0.001","90","","1949.9","0.3","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","CE(OH)2","","","- C22 H26 O7 -","- C22 H26 O7 -","- C88 H104 O28 -","4","1","","Alaparthi, Madhubabu; Mariappan, Kadarkaraisamy; Dufek, Eric John; Hoffman, Mariah; Sykes, Andrew","A New Detection Mechanism involving Keto-Enol Tautomerization: Selective Fluorescence Detection of Al(III) by Dehydration of Secondary Alcohols in Mixed DMSO/Aqueous Media","RSC Adv.","2016","","","","","10.1039/C5RA23937K","","","0.71073","MoKα","","0.0412","0.0401","","","0.1048","0.1058","","","","","","1.079","","","","has coordinates","174572","2020-10-21","18:00:00",""
"7223935","12.2726","0.0005","13.7003","0.0006","22.4713","0.001","90","","96.752","0.001","90","","3752.1","0.3","100","","100","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","CE-ANTHRONE","","","- C22 H24 O6 -","- C22 H24 O6 -","- C176 H192 O48 -","8","2","","Alaparthi, Madhubabu; Mariappan, Kadarkaraisamy; Dufek, Eric John; Hoffman, Mariah; Sykes, Andrew","A New Detection Mechanism involving Keto-Enol Tautomerization: Selective Fluorescence Detection of Al(III) by Dehydration of Secondary Alcohols in Mixed DMSO/Aqueous Media","RSC Adv.","2016","","","","","10.1039/C5RA23937K","","","0.71073","MoKα","","0.0467","0.0381","","","0.0959","0.1025","","","","","","1.016","","","","has coordinates","174572","2020-10-21","18:00:00",""
"7223936","11.6503","0.0006","26.3127","0.0013","14.6567","0.0007","90","","96.091","0.001","90","","4467.7","0.4","100","","100","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","COMPOUND 6","","","- C52 H56 N6 O9 -","- C52 H56 N6 O9 -","- C208 H224 N24 O36 -","4","1","","Alaparthi, Madhubabu; Mariappan, Kadarkaraisamy; Dufek, Eric John; Hoffman, Mariah; Sykes, Andrew","A New Detection Mechanism involving Keto-Enol Tautomerization: Selective Fluorescence Detection of Al(III) by Dehydration of Secondary Alcohols in Mixed DMSO/Aqueous Media","RSC Adv.","2016","","","","","10.1039/C5RA23937K","","","0.71073","MoKα","","0.0664","0.0451","","","0.1078","0.1196","","","","","","1.026","","","","has coordinates","174572","2020-10-21","18:00:00",""
"7223937","19.897","0.004","12.667","0.003","8.4207","0.0017","90","","108.18","0.03","90","","2016.4","0.8","113","2","113","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C25 H20 N2 O2 S -","- C25 H20 N2 O2 S -","- C100 H80 N8 O8 S4 -","4","1","","Wu, Lulu; Zheng, Yin; Wang, Youming; ZHOU, Zhenghong","Organocatalyzed enantioselective [3+3] annulation for the direct synthesis of conformationally constrained cyclic tryptophan derivatives","RSC Adv.","2016","","","","","10.1039/C5RA24288F","","","0.71073","MoKα","","0.0405","0.0317","","","0.0692","0.0722","","","","","","0.971","","","","has coordinates","174573","2020-10-21","18:00:00",""
"7223938","33.227","0.002","33.227","0.002","24.546","0.002","90","","90","","90","","27100","3","103","2","103","2","","","","","","","","5","P 42 21 2","P 4n 2n","94","","","","- C160 H296 Cu12 N24 O132 -","- C144 H168 Cu12 N24 O84 -","- C576 H672 Cu48 N96 O336 -","4","0.5","","Chen, Zilu; Liu, Xianlin; Wu, Anfu; Liang, Yuning; Wang, Xinyu; Liang, Fupei","Synthesis, structure and properties of an octahedral dinuclear-based Cu12 nanocage of trimesoyltri(L-alanine)","RSC Adv.","2016","","","","","10.1039/C5RA26357C","","","0.71073","MoKα","","0.0912","0.0707","","","0.1849","0.203","","","","","","0.999","","","","has coordinates","174574","2020-10-21","18:00:00",""
"7223939","5.779","0.002","6.031","0.002","12.318","0.004","90","","90","","90","","429.3","0.2","296","","296","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","L-alanine","","- C3 H7 N O2 -","- C3 H7 N O2 -","- C12 H28 N4 O8 -","4","1","","Tsuboi, Chiaki; Aburaya, Kazuaki; Kimura, Fumiko; Maeyama, Masataka; Kimura, Tsunehisa","Single-crystal structure determination from microcrystalline powders (σim 5 μm) by an orientation attachment mountable on an in-house X-ray diffractometer","CrystEngComm","2016","18","14","2404","","10.1039/C5CE02307F","","","0.71075","MoKα","","0.045","0.0421","","","0.0977","0.1012","","","","","","1.106","","","","has coordinates","181620","2020-10-21","18:00:00",""
"7223940","5.7772","0.0015","6.035","0.0017","12.316","0.003","90","","90","","90","","429.4","0.19","296","","296","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","L-alanine","","- C3 H7 N O2 -","- C3 H7 N O2 -","- C12 H28 N4 O8 -","4","1","","Tsuboi, Chiaki; Aburaya, Kazuaki; Kimura, Fumiko; Maeyama, Masataka; Kimura, Tsunehisa","Single-crystal structure determination from microcrystalline powders (σim 5 μm) by an orientation attachment mountable on an in-house X-ray diffractometer","CrystEngComm","2016","18","14","2404","","10.1039/C5CE02307F","","","0.71075","MoKα","","0.1246","0.0991","","","0.2703","0.3083","","","","","","1.06","","","","has coordinates","181620","2020-10-21","18:00:00",""
"7223941","12.9571","0.001","9.0882","0.0008","14.8304","0.0012","90","","92.225","0.002","90","","1745.1","0.2","133","2","133","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C21 H20 N2 O3 -","- C21 H20 N2 O3 -","- C84 H80 N8 O12 -","4","1","","Shang, Yongjia; Shi, Guanghao; He, Xinwei; Xie, Meihua","Combinatorial Synthesis of Spiro[indoline-3,2'-pyrrole] Derivatives via a Three-component Reaction under Catalyst-free Conditions","RSC Adv.","2016","","","","","10.1039/C5RA23860A","","","0.71073","MoKα","","0.0416","0.0341","","","0.0807","0.0852","","","","","","1.043","","","","has coordinates","174610","2020-10-21","18:00:00",""
"7223942","9.9041","0.001","10.0867","0.0009","10.6948","0.0009","90","","94.617","0.008","90","","1064.94","0.17","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C18 H23 N3 O8 S -","- C18 H23 N3 O8 S -","- C36 H46 N6 O16 S2 -","2","1","","Kumar, Manish; Kumar, Rajesh; rana, neha; Prasad, Ashok K.","Synthesis of 3′-azido/-amino-xylobicyclonucleosides","RSC Adv.","2016","","","","","10.1039/C5RA25222A","","","0.71073","MoKα","","0.0711","0.0496","","","0.1339","0.1647","","","","","","0.839","","","","has coordinates","174611","2020-10-21","18:00:00",""
"7223943","6.5121","0.0016","6.8206","0.0014","13.045","0.004","90","","93.72","0.03","90","","578.2","0.3","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C10 H11 N5 O5 -","- C10 H11 N5 O5 -","- C20 H22 N10 O10 -","2","1","","Kumar, Manish; Kumar, Rajesh; rana, neha; Prasad, Ashok K.","Synthesis of 3′-azido/-amino-xylobicyclonucleosides","RSC Adv.","2016","","","","","10.1039/C5RA25222A","","","0.71073","MoKα","","0.0867","0.0652","","","0.1776","0.2016","","","","","","0.911","","","","has coordinates","174611","2020-10-21","18:00:00",""
"7223944","14.3594","0.0003","22.1059","0.0005","8.8264","0.0002","90","","104.71","0.002","90","","2709.91","0.11","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C26 H28 Cl2 N4 O2 S3 -","- C26 H28 Cl2 N4 O2 S3 -","- C104 H112 Cl8 N16 O8 S12 -","4","1","","Wiles, Alan A.; Fitzpatrick, Brian; McDonald, Niall A.; Westwater, Mary Margaret; Long, De-Liang; Ebenhoch, Bernd; Rotello, Vincent M.; Samuel, Ifor D. W.; Cooke, Graeme","Synthesis and properties of pteridine-2,4-dione-functionalised oligothiophenes","RSC Adv.","2016","6","10","7999","","10.1039/C5RA22402K","","","0.71073","MoKα","","0.0801","0.0576","","","0.1556","0.1775","","","","","","1.038","","","","has coordinates,has disorder","174612","2020-10-21","18:00:00",""
"7223945","14.7336","0.0008","18.2084","0.0011","9.4057","0.0006","90","","94.715","0.003","90","","2514.8","0.3","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C25 H25 Br N4 O2 S3 -","- C25 H25 Br N4 O2 S3 -","- C100 H100 Br4 N16 O8 S12 -","4","1","","Wiles, Alan A.; Fitzpatrick, Brian; McDonald, Niall A.; Westwater, Mary Margaret; Long, De-Liang; Ebenhoch, Bernd; Rotello, Vincent M.; Samuel, Ifor D. W.; Cooke, Graeme","Synthesis and properties of pteridine-2,4-dione-functionalised oligothiophenes","RSC Adv.","2016","6","10","7999","","10.1039/C5RA22402K","","","0.71073","MoKα","","0.054","0.0396","","","0.0974","0.1037","","","","","","1.051","","","","has coordinates","174612","2020-10-21","18:00:00",""
"7223946","5.837","0.0004","9.2077","0.0006","25.6068","0.0016","90","","90","","90","","1376.25","0.16","200","2","200","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C12 H14 Br N O5 -","- C12 H14 Br N O5 -","- C48 H56 Br4 N4 O20 -","4","1","","Lin, Chia-Hsin; Hong, Bor-Cherng; Lee, Gene-Hsiang","Asymmetric synthesis of functionalized pyrrolizidines by an organocatalytic and pot-economy strategy","RSC Adv.","2016","6","10","8243","","10.1039/C5RA25103F","","","0.71073","MoKα","","0.0428","0.0342","","","0.0814","0.0961","","","","","","1.117","","","","has coordinates","174675","2020-10-21","18:00:00",""
"7223947","7.6652","0.0006","7.8614","0.0006","20.6346","0.0015","90","","90","","90","","1243.42","0.16","200","2","200","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C14 H16 Cl N O -","- C14 H16 Cl N O -","- C56 H64 Cl4 N4 O4 -","4","1","","Lin, Chia-Hsin; Hong, Bor-Cherng; Lee, Gene-Hsiang","Asymmetric synthesis of functionalized pyrrolizidines by an organocatalytic and pot-economy strategy","RSC Adv.","2016","6","10","8243","","10.1039/C5RA25103F","","","0.71073","MoKα","","0.0755","0.0605","","","0.1176","0.1231","","","","","","1.109","","","","has coordinates","174675","2020-10-21","18:00:00",""
"7223948","11.659","0.006","16.166","0.017","29.13","0.03","84.62","0.09","84.17","0.05","70.44","0.07","5136","8","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H32 N4 Se2 Sn -","- C20 H32 N4 Se2 Sn -","- C160 H256 N32 Se16 Sn8 -","8","4","","Tyagi, Adish; Kedarnath, G.; Wadawale, Amey; Shah, Alpa Y.; Jain, Vimal K.; Vishwanadh, B.","Diorganotin(iv) 4,6-dimethyl-2-pyrimidyl selenolates: synthesis, structures and their utility as molecular precursors for the preparation of SnSe2nano-sheets and thin films","RSC Adv.","2016","6","10","8367","","10.1039/C5RA20578F","","","0.71069","MoKα","","0.4531","0.1132","","","0.2392","0.3834","","","","","","0.906","","","","has coordinates,has disorder","174676","2020-10-21","18:00:00",""
"7223949","14.8","0.004","7.749","0.0007","21.526","0.004","90","","95.42","0.017","90","","2457.7","0.8","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C20 H32 N4 Se2 Sn -","- C20 H32 N4 Se2 Sn -","- C80 H128 N16 Se8 Sn4 -","4","0.5","","Tyagi, Adish; Kedarnath, G.; Wadawale, Amey; Shah, Alpa Y.; Jain, Vimal K.; Vishwanadh, B.","Diorganotin(iv) 4,6-dimethyl-2-pyrimidyl selenolates: synthesis, structures and their utility as molecular precursors for the preparation of SnSe2nano-sheets and thin films","RSC Adv.","2016","6","10","8367","","10.1039/C5RA20578F","","","0.71069","MoKα","","0.0636","0.0342","","","0.0823","0.0922","","","","","","1.044","","","","has coordinates","174676","2020-10-21","18:00:00",""
"7223950","9.192","0.003","12.655","0.003","15.99","0.0018","90","","92.278","0.019","90","","1858.6","0.8","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C14 H25 Cl N2 Se Sn -","- C14 H25 Cl N2 Se Sn -","- C56 H100 Cl4 N8 Se4 Sn4 -","4","1","","Tyagi, Adish; Kedarnath, G.; Wadawale, Amey; Shah, Alpa Y.; Jain, Vimal K.; Vishwanadh, B.","Diorganotin(iv) 4,6-dimethyl-2-pyrimidyl selenolates: synthesis, structures and their utility as molecular precursors for the preparation of SnSe2nano-sheets and thin films","RSC Adv.","2016","6","10","8367","","10.1039/C5RA20578F","","","0.71069","MoKα","","0.1745","0.0482","","","0.1019","0.1484","","","","","","1.016","","","","has coordinates","174676","2020-10-21","18:00:00",""
"7223951","9.1961","0.0005","18.5027","0.001","14.0562","0.0008","90","","96.081","0.002","90","","2378.2","0.2","100","2","100","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C48 H43 Cl6 Fe3 N P2 -","- C48 H43 Cl6 Fe3 N P2 -","- C96 H86 Cl12 Fe6 N2 P4 -","2","1","","Zirakzadeh, Afrooz -; Karl, Kirchner; Roller, Alexander; Stöger, Berthold; Carvalho, Maria de Deus; Ferreira, Liliana","Synthesis, coordination behavior and structural features of chiral iron(II) PNP diferrocene complexes","RSC Adv.","2016","","","","","10.1039/C5RA26493F","","","0.71073","MoKα","","0.0382","0.0313","","","0.0631","0.0653","","","","","","1.02","","","","has coordinates,has disorder","174677","2020-10-21","18:00:00",""
"7223952","9.3238","0.0003","18.863","0.0007","13.904","0.0005","90","","97.689","0.002","90","","2423.38","0.15","100","2","100","","","","","","","","","8","P 1 21 1","P 2yb","4","","","","- C48 H46 B Br2 Cl4 Fe3 N P2 -","- C48 H46 B Br2 Cl4 Fe3 N P2 -","- C96 H92 B2 Br4 Cl8 Fe6 N2 P4 -","2","1","","Zirakzadeh, Afrooz -; Karl, Kirchner; Roller, Alexander; Stöger, Berthold; Carvalho, Maria de Deus; Ferreira, Liliana","Synthesis, coordination behavior and structural features of chiral iron(II) PNP diferrocene complexes","RSC Adv.","2016","","","","","10.1039/C5RA26493F","","","0.71073","MoKα","","0.0432","0.0356","","","0.0767","0.079","","","","","","0.993","","","","has coordinates","174677","2020-10-21","18:00:00",""
"7223953","9.3149","0.0003","18.7337","0.0007","13.9965","0.0005","90","","97.3358","0.0014","90","","2422.43","0.15","100","2","100","2","","","","","","","","7","P 1 21 1","P 2yb","4","(SFc,SFc)-11","","","- C48 H43 Br2 Cl4 Fe3 N P2 -","- C48 H42.996 Br2 Cl3.996 Fe3 N P2 -","- C96 H85.992 Br4 Cl7.992 Fe6 N2 P4 -","2","1","","Zirakzadeh, Afrooz -; Karl, Kirchner; Roller, Alexander; Stöger, Berthold; Carvalho, Maria de Deus; Ferreira, Liliana","Synthesis, coordination behavior and structural features of chiral iron(II) PNP diferrocene complexes","RSC Adv.","2016","","","","","10.1039/C5RA26493F","","","0.71073","MoKα","","0.0311","0.0284","","","0.065","0.0665","","","","","","1.025","","","","has coordinates,has disorder","174677","2020-10-21","18:00:00",""
"7223954","7.9187","0.0011","16.357","0.002","28.737","0.004","90","","90","","90","","3722.2","0.9","100","","100","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","(SFc,SFc)-11a","","","- C46 H39 Fe2 N P2 -","- C46 H39 Fe2 N P2 -","- C184 H156 Fe8 N4 P8 -","4","1","","Zirakzadeh, Afrooz -; Karl, Kirchner; Roller, Alexander; Stöger, Berthold; Carvalho, Maria de Deus; Ferreira, Liliana","Synthesis, coordination behavior and structural features of chiral iron(II) PNP diferrocene complexes","RSC Adv.","2016","","","","","10.1039/C5RA26493F","","","0.71073","MoKα","","0.1312","0.0673","","","0.1082","0.1326","","","","","","0.987","","","","has coordinates","174677","2020-10-21","18:00:00",""
"7223955","24.392","0.006","4.019","0.0005","24.609","0.017","90","","105.47","0.04","90","","2325.1","1.8","293","2","293","2","","","","","","","","3","I 1 2/c 1","-I 2yc","15","","","","- C15 H11 N3 -","- C15 H11 N3 -","- C120 H88 N24 -","8","1","","Chen, Baohua; Tang, Dong; Wang, Jing; Wu, Ping; Guo, Xin; Li, Jihui; Yang, Sen","Synthesis of 1,2,4-Triazine Derivatives via [4+2] Domino Annulations Reactions in Onepot","RSC Adv.","2016","","","","","10.1039/C5RA26638F","","","0.71","MoKα","","0.1137","0.0699","","","0.1837","0.223","","","","","","1.051","","","","has coordinates","206958","2020-10-21","18:00:00",""
"7223956","10.9412","0.0005","15.9438","0.0006","37.9153","0.0015","90","","102.511","0.004","90","","6457.1","0.5","170","","170","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C57 H52 Cl4 F2 N4 O18 -","- C57 H52 Cl4 F2 N4 O18 -","- C228 H208 Cl16 F8 N16 O72 -","4","1","","Xue, Min; Xu, Xiaoyan; An, Jianggen; Wang, Jie; Yang, Yong; Liu, Yongsong","Pillar[5]arene derivatives containing two dinitrophenyl rings: Syntheses, conformations and the tubular self assembly in the solid state","RSC Adv.","2016","","","","","10.1039/C5RA28117B","","","0.71073","MoKα","","0.0906","0.0695","","","0.1875","0.2005","","","","","","1.105","","","","has coordinates","174786","2020-10-21","18:00:00",""
"7223957","24.236","0.003","15.7969","0.001","20.4001","0.0019","90","","122.48","0.014","90","","6588.6","1.5","170","","170","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C63 H52 Cl6 N4 O20 -","- C63 H52 Cl6 N4 O20 -","- C252 H208 Cl24 N16 O80 -","4","0.5","","Xue, Min; Xu, Xiaoyan; An, Jianggen; Wang, Jie; Yang, Yong; Liu, Yongsong","Pillar[5]arene derivatives containing two dinitrophenyl rings: Syntheses, conformations and the tubular self assembly in the solid state","RSC Adv.","2016","","","","","10.1039/C5RA28117B","","","0.71073","MoKα","","0.0948","0.0603","","","0.1596","0.1856","","","","","","1.034","","","","has coordinates,has disorder","174786","2020-10-21","18:00:00",""
"7223958","11.9726","0.0005","9.2769","0.0004","11.5812","0.0005","90","","112.372","0.002","90","","1189.49","0.09","223","2","223","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","iodopentafluorobenzene and pyridine (1:1)","","- C11 H5 F5 I N -","- C11 H5 F5 I N -","- C44 H20 F20 I4 N4 -","4","1","","Vasylyeva, Vera; Catalano, Luca; Nervi, Carlo; Gobetto, Roberto; Metrangolo, Pierangelo; Resnati, Giuseppe","Characteristic redshift and intensity enhancement as far-IR fingerprints of the halogen bond involving aromatic donors","CrystEngComm","2016","18","13","2247","","10.1039/C5CE02385H","","","0.71073","MoKα","","0.0224","0.0204","","","0.0443","0.0457","","","","","","1.14","","","","has coordinates","181589","2020-10-21","18:00:00",""
"7223959","8.0031","0.0004","12.031","0.0006","13.4501","0.0006","90","","100.731","0.002","90","","1272.4","0.11","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","iodopentafluorobenzene 3-methylpyridine","iodopentafluorobenzene and 3-methylpyridine (1:1)","","- C12 H7 F5 I N -","- C12 H7 F5 I N -","- C48 H28 F20 I4 N4 -","4","1","","Vasylyeva, Vera; Catalano, Luca; Nervi, Carlo; Gobetto, Roberto; Metrangolo, Pierangelo; Resnati, Giuseppe","Characteristic redshift and intensity enhancement as far-IR fingerprints of the halogen bond involving aromatic donors","CrystEngComm","2016","18","13","2247","","10.1039/C5CE02385H","","","0.71073","MoKα","","0.0174","0.0148","","","0.0353","0.0363","","","","","","1.022","","","","has coordinates","181589","2020-10-21","18:00:00",""
"7223960","8.8544","0.0004","9.3356","0.0004","14.0154","0.0006","90","","101.478","0.001","90","","1135.36","0.09","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","bromopentafluorobenzene pyridine","bromopentafluorobenzene and pyridine (1:1)","","- C11 H5 Br F5 N -","- C11 H5 Br F5 N -","- C44 H20 Br4 F20 N4 -","4","1","","Vasylyeva, Vera; Catalano, Luca; Nervi, Carlo; Gobetto, Roberto; Metrangolo, Pierangelo; Resnati, Giuseppe","Characteristic redshift and intensity enhancement as far-IR fingerprints of the halogen bond involving aromatic donors","CrystEngComm","2016","18","13","2247","","10.1039/C5CE02385H","","","0.71073","MoKα","","0.0199","0.0183","","","0.0481","0.0487","","","","","","1.07","","","","has coordinates","181589","2020-10-21","18:00:00",""
"7223961","11.7434","0.0007","5.8599","0.0003","16.7329","0.001","90","","99.173","0.002","90","","1136.75","0.11","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","iodopentafluorobenzene tetramethylethylenediamine","iodopentafluorobenzene and TMEDA (1:1)","","- C9 H8 F5 I N -","- C9 H8 F5 I N -","- C36 H32 F20 I4 N4 -","4","1","","Vasylyeva, Vera; Catalano, Luca; Nervi, Carlo; Gobetto, Roberto; Metrangolo, Pierangelo; Resnati, Giuseppe","Characteristic redshift and intensity enhancement as far-IR fingerprints of the halogen bond involving aromatic donors","CrystEngComm","2016","18","13","2247","","10.1039/C5CE02385H","","","0.71073","MoKα","","0.0189","0.0178","","","0.0379","0.0384","","","","","","1.175","","","","has coordinates","181589","2020-10-21","18:00:00",""
"7223962","6.5585","0.0012","7.047","0.0013","38.869","0.007","90","","90","","90","","1796.4","0.6","296","2","296","2","","","","","","","Biotogether","6","P 21 21 21","P 2ac 2ab","19","cAMPNa ; CYCLIC AMP SODIUM SALT;3',5'-CYCLIC AMP SODIUM SALT","ADENOSINE-3',5'-CYCLIC PHOSPHATE SODIUM","","- C10 H21 N5 Na O11 P -","- C10 H21 N5 Na O11 P -","- C40 H84 N20 Na4 O44 P4 -","4","1","","Yang, Pengpeng; Lin, Chenguang; Zhuang, Wei; Wen, Qingshi; Zou, Fengxia; Zhou, Jingwei; Wu, Jinglan; Ying, Hanjie","Insight into a direct solid‒solid transformation: a potential approach for the removal of residual solvents","CrystEngComm","2016","18","10","1699","","10.1039/C6CE00034G","","","0.71073","MoKα","","0.0516","0.0499","","","0.1381","0.1397","","","","","","1.098","","","","has coordinates","177741","2020-10-21","18:00:00",""
"7223963","6.5021","0.001","7.0943","0.0011","39.198","0.006","90","","90","","90","","1808.1","0.5","296","2","296","2","","","","","","","nucleic acid degradation product","6","P 21 21 21","P 2ac 2ab","19","ADENOSINE-3',5'-CYCLIC PHOSPHATE SODIUM","ADENOSINE-3',5'-CYCLIC PHOSPHATE SODIUM","","- C11 H21 N5 Na O10 P -","- C11 H21 N5 Na O10 P -","- C44 H84 N20 Na4 O40 P4 -","4","1","","Yang, Pengpeng; Lin, Chenguang; Zhuang, Wei; Wen, Qingshi; Zou, Fengxia; Zhou, Jingwei; Wu, Jinglan; Ying, Hanjie","Insight into a direct solid‒solid transformation: a potential approach for the removal of residual solvents","CrystEngComm","2016","18","10","1699","","10.1039/C6CE00034G","","","0.71073","MoKα","","0.0505","0.048","","","0.1266","0.1279","","","","","","1.16","","","","has coordinates","177741","2020-10-21","18:00:00",""
"7223964","13.314","0.0011","9.7055","0.0008","7.0691","0.0009","90","","90","","90","","913.46","0.16","300","2","300","2","","","","","","","","4","P n n m","-P 2 2n","58","uranyl acrylate","","","- C6 H6 O6 U -","- C6 H6 O6 U -","- C24 H24 O24 U4 -","4","0.5","","Klepov, Vladislav V.; Vologzhanina, Anna V.; Alekseev, Evgeny V.; Pushkin, Denis V.; Serezhkina, Larisa B.; Sergeeva, Olga A.; Knyazev, Aleksandr V.; Serezhkin, Viktor N.","Structural diversity of uranyl acrylates","CrystEngComm","2016","18","10","1723","","10.1039/C5CE01957E","","","0.71073","MoKα","","0.049","0.032","","","0.0686","0.0788","","","","","","1.047","","","","has coordinates","177744","2020-10-21","18:00:00",""
"7223965","19.5621","0.0008","19.5621","0.0008","8.7321","0.0009","90","","90","","120","","2893.9","0.3","295","2","295","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- C6 H10.44 O8.22 U -","- C6 H10 O8.22333 U -","- C54 H90 O74.01 U9 -","9","0.5","","Klepov, Vladislav V.; Vologzhanina, Anna V.; Alekseev, Evgeny V.; Pushkin, Denis V.; Serezhkina, Larisa B.; Sergeeva, Olga A.; Knyazev, Aleksandr V.; Serezhkin, Viktor N.","Structural diversity of uranyl acrylates","CrystEngComm","2016","18","10","1723","","10.1039/C5CE01957E","","","0.71073","MoKα","","0.0467","0.0418","","","0.0951","0.1002","","","","","","1.065","","","","has coordinates","177744","2020-10-21","18:00:00",""
"7223966","11.6745","0.0018","12.4709","0.0004","16.003","0.002","90","","148.27","0.04","90","","1225.3","1.4","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C6 H12 O9 U -","- C6 H12 O9 U -","- C24 H48 O36 U4 -","4","1","","Klepov, Vladislav V.; Vologzhanina, Anna V.; Alekseev, Evgeny V.; Pushkin, Denis V.; Serezhkina, Larisa B.; Sergeeva, Olga A.; Knyazev, Aleksandr V.; Serezhkin, Viktor N.","Structural diversity of uranyl acrylates","CrystEngComm","2016","18","10","1723","","10.1039/C5CE01957E","","","0.71073","MoKα","","0.051","0.0353","","","0.0686","0.0773","","","","","","1.055","","","","has coordinates,has disorder","177744","2020-10-21","18:00:00",""
"7223967","10.7059","0.001","7.7322","0.0007","13.5945","0.0012","90","","107.093","0.002","90","","1075.65","0.17","150","2","150","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","Bis(acrylato-O,O')(diaqua)(dioxo)uranium(vi)","","","- C6 H10 O8 U -","- C6 H10 O8 U -","- C24 H40 O32 U4 -","4","1","","Klepov, Vladislav V.; Vologzhanina, Anna V.; Alekseev, Evgeny V.; Pushkin, Denis V.; Serezhkina, Larisa B.; Sergeeva, Olga A.; Knyazev, Aleksandr V.; Serezhkin, Viktor N.","Structural diversity of uranyl acrylates","CrystEngComm","2016","18","10","1723","","10.1039/C5CE01957E","","","0.71073","MoKα","","0.0763","0.0226","","","0.0548","0.0855","","","","","","0.997","","","","has coordinates","177744","2020-10-21","18:00:00",""
"7223968","10.724","0.006","7.721","0.004","6.897","0.004","90","","107.246","0.009","90","","545.4","0.5","250","","250","","","","","","","","","4","C 1 2/m 1","-C 2y","12","","","","- C6 H10 O8 U -","- C6 H10 O8 U -","- C12 H20 O16 U2 -","2","0.25","","Klepov, Vladislav V.; Vologzhanina, Anna V.; Alekseev, Evgeny V.; Pushkin, Denis V.; Serezhkina, Larisa B.; Sergeeva, Olga A.; Knyazev, Aleksandr V.; Serezhkin, Viktor N.","Structural diversity of uranyl acrylates","CrystEngComm","2016","18","10","1723","","10.1039/C5CE01957E","","","0.71073","MoKα","","0.0223","0.0223","","","0.0504","0.0504","","","","","","1.072","","","","has coordinates","177744","2020-10-21","18:00:00",""
"7223969","10.097","0.0009","12.8101","0.0011","10.9229","0.0011","90","","102.581","0.002","90","","1378.9","0.2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C11 H13 N5 O5 Zn -","- C11 H3 N5 O5 Zn -","- C44 H12 N20 O20 Zn4 -","4","1","","Gao, Wei; Li, Peng; Liu, Feng; Zhang, Xiu-Mei; Liu, Jie-Ping","Four metal‒organic frameworks based on the 5-(1H-tetrazol-5-yl)isophthalic acid ligand: luminescence and magnetic properties","CrystEngComm","2016","18","9","1523","","10.1039/C5CE02096D","","","1.54178","CuKα","","0.1359","0.0793","","","0.1628","0.2196","","","","","","1.044","","","","has coordinates","177764","2020-10-21","18:00:00",""
"7223970","10.4622","0.0009","7.187","0.0006","13.4544","0.0012","90","","112.694","0.002","90","","933.34","0.14","293","2","293","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C12 H16 Cd2 N5 O8.5 -","- C9 H3 Cd2 N4 O7.5 -","- C18 H6 Cd4 N8 O15 -","2","0.5","","Gao, Wei; Li, Peng; Liu, Feng; Zhang, Xiu-Mei; Liu, Jie-Ping","Four metal‒organic frameworks based on the 5-(1H-tetrazol-5-yl)isophthalic acid ligand: luminescence and magnetic properties","CrystEngComm","2016","18","9","1523","","10.1039/C5CE02096D","","","1.54178","CuKα","","0.0882","0.0642","","","0.1667","0.1811","","","","","","1.056","","","","has coordinates,has disorder","177764","2020-10-21","18:00:00",""
"7223971","19.571","0.002","11.0278","0.0009","13.2983","0.0012","90","","124.084","0.001","90","","2377.1","0.4","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C9 H7 Mn N4 Na O6 -","- C9 H7 Mn N4 Na O6 -","- C72 H56 Mn8 N32 Na8 O48 -","8","1","","Gao, Wei; Li, Peng; Liu, Feng; Zhang, Xiu-Mei; Liu, Jie-Ping","Four metal‒organic frameworks based on the 5-(1H-tetrazol-5-yl)isophthalic acid ligand: luminescence and magnetic properties","CrystEngComm","2016","18","9","1523","","10.1039/C5CE02096D","","","1.54178","CuKα","","0.1245","0.0657","","","0.1264","0.155","","","","","","1.065","","","","has coordinates","177764","2020-10-21","18:00:00",""
"7223972","7.3088","0.0008","10.1375","0.001","12.0815","0.0014","78.884","0.004","77.512","0.003","78.615","0.004","846.18","0.16","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H38 Mn3 N8 O24 -","- C18 H30 Mn3 N8 O24 -","- C18 H30 Mn3 N8 O24 -","1","0.5","","Gao, Wei; Li, Peng; Liu, Feng; Zhang, Xiu-Mei; Liu, Jie-Ping","Four metal‒organic frameworks based on the 5-(1H-tetrazol-5-yl)isophthalic acid ligand: luminescence and magnetic properties","CrystEngComm","2016","18","9","1523","","10.1039/C5CE02096D","","","0.71073","MoKα","","0.0753","0.0705","","","0.1956","0.1982","","","","","","1.072","","","","has coordinates","177764","2020-10-21","18:00:00",""
"7223973","24.029","0.001","10.9805","0.0005","24.3497","0.001","90","","90","","90","","6424.7","0.5","120","2","120","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","Sildenafil Citrate (Viagra)","1-{[3-(6,7-Dihydro-1-methyl-7-oxo-3-propyl-1H-pyrazolo[4,3-d]pyrimidin-5-yl)-4-ethoxyphenyl]sulfonyl}-4-methylpiperaziniumcitrate semihydrate","","- C28 H39 N6 O11.5 S -","- C28 H39 N6 O11.5 S -","- C224 H312 N48 O92 S8 -","8","1","","Abraham, Anuji; Apperley, David C.; Byard, Stephen J.; Ilott, Andrew J.; Robbins, Andrew J.; Zorin, Vadim; Harris, Robin K.; Hodgkinson, Paul","Characterising the role of water in sildenafil citrate by NMR crystallography","CrystEngComm","2016","18","6","1054","","10.1039/C5CE02234G","","","0.71073","Mo-Kα","","0.1071","0.0524","","","0.1263","0.1632","","","","","","0.991","","","","has coordinates","175962","2020-10-21","18:00:00",""
"7223974","9.3387","0.0002","13.9027","0.0004","16.555","0.0005","90","","90","","90","","2149.39","0.1","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","Diltiazem","","","- C22 H26 N2 O4 S -","- C22 H26 N2 O4 S -","- C88 H104 N8 O16 S4 -","4","1","","Stepanovs, D.; Jure, M.; Gosteva, M.; Popelis, J.; Kiselovs, G.; Mishnev, A.","Crystal structures and physicochemical properties of diltiazem base and its acetylsalicylate, nicotinate andl-malate salts","CrystEngComm","2016","18","7","1235","","10.1039/C5CE01204J","","","0.71073","MoKα","","0.1146","0.0638","","","0.0981","0.113","","","","","","1.014","","","","has coordinates","177735","2020-10-21","18:00:00",""
"7223975","9.9411","0.0004","10.7606","0.0003","28.5926","0.0011","90","","90","","90","","3058.61","0.19","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","Dilteazem acetylsalicylate hydrate","","","- C31 H36 N2 O9 S -","- C31 H36 N2 O9 S -","- C124 H144 N8 O36 S4 -","4","1","","Stepanovs, D.; Jure, M.; Gosteva, M.; Popelis, J.; Kiselovs, G.; Mishnev, A.","Crystal structures and physicochemical properties of diltiazem base and its acetylsalicylate, nicotinate andl-malate salts","CrystEngComm","2016","18","7","1235","","10.1039/C5CE01204J","","","0.71073","MoKα","","0.2268","0.0984","","","0.1185","0.1501","","","","","","1.077","","","","has coordinates","177735","2020-10-21","18:00:00",""
"7223976","8.7897","0.0002","6.1726","0.0001","25.1531","0.0007","90","","91.5255","0.0011","90","","1364.21","0.05","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","Diltiazem nicotinate","","","- C28 H31 N3 O6 S -","- C28 H31 N3 O6 S -","- C56 H62 N6 O12 S2 -","2","1","","Stepanovs, D.; Jure, M.; Gosteva, M.; Popelis, J.; Kiselovs, G.; Mishnev, A.","Crystal structures and physicochemical properties of diltiazem base and its acetylsalicylate, nicotinate andl-malate salts","CrystEngComm","2016","18","7","1235","","10.1039/C5CE01204J","","","0.71073","MoKα","","0.115","0.0642","","","0.1017","0.1187","","","","","","1.045","","","","has coordinates","177735","2020-10-21","18:00:00",""
"7223977","5.8962","0.0001","9.032","0.0002","50.5074","0.001","90","","90","","90","","2689.75","0.09","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","Diltiazem L-Malate","","","- C26 H32 N2 O9 S -","- C26 H32 N2 O9 S -","- C104 H128 N8 O36 S4 -","4","1","","Stepanovs, D.; Jure, M.; Gosteva, M.; Popelis, J.; Kiselovs, G.; Mishnev, A.","Crystal structures and physicochemical properties of diltiazem base and its acetylsalicylate, nicotinate andl-malate salts","CrystEngComm","2016","18","7","1235","","10.1039/C5CE01204J","","","0.71073","MoKα","","0.1467","0.0637","","","0.1021","0.1238","","","","","","0.999","","","","has coordinates","177735","2020-10-21","18:00:00",""
"7223978","36.4984","0.0017","36.4984","0.0017","10.5148","0.0004","90","","90","","120","","12130.5","0.9","123","2","123","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C63.4 H52.8 N4 O2 Sn -","- C63.4 H52.8 N4 O2 Sn -","- C570.6 H475.2 N36 O18 Sn9 -","9","0.5","","Wang, S.; Knowles, G. P.; Chaffee, A. L.; Langford, S. J.","Selective CO2uptake and vapor adsorption study within Sn(iv) porphyrin crystals","CrystEngComm","2016","18","9","1515","","10.1039/C5CE02170G","","","0.71073","MoKα","","0.0539","0.0387","","","0.1236","0.1456","","","","","","1.09","","","","has coordinates","201369","2020-10-21","18:00:00",""
"7223979","36.626","0.002","36.626","0.002","10.4295","0.0008","90","","90","","120","","12116.4","1.3","123","2","123","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C60 H44 Br2 N4 O2 Sn -","- C60 H44 Br2 N4 O2 Sn -","- C540 H396 Br18 N36 O18 Sn9 -","9","0.5","","Wang, S.; Knowles, G. P.; Chaffee, A. L.; Langford, S. J.","Selective CO2uptake and vapor adsorption study within Sn(iv) porphyrin crystals","CrystEngComm","2016","18","9","1515","","10.1039/C5CE02170G","","","0.71073","MoKα","","0.0753","0.0463","","","0.1348","0.1663","","","","","","1.126","","","","has coordinates","177766","2020-10-21","18:00:00",""
"7223980","37.09","0.002","37.09","0.002","10.1013","0.0006","90","","90","","120","","12034.3","1.2","123","2","123","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C60 H44 N6 O6 Sn -","- C60 H44 N6 O6 Sn -","- C540 H396 N54 O54 Sn9 -","9","0.5","","Wang, S.; Knowles, G. P.; Chaffee, A. L.; Langford, S. J.","Selective CO2uptake and vapor adsorption study within Sn(iv) porphyrin crystals","CrystEngComm","2016","18","9","1515","","10.1039/C5CE02170G","","","0.71073","MoKα","","0.1133","0.0711","","","0.2089","0.2417","","","","","","1.458","","","","has coordinates,has disorder","177766","2020-10-21","18:00:00",""
"7223981","24.811","0.001","24.811","0.001","21.455","0.002","90","","90","","120","","11437.9","1.2","150","2","150.15","","","","","","","","","5","R 3 2","R 3 2""","155","","","","- C72 H43 Co3 N6 O13 -","- C72 H43 Co3 N6 O13 -","- C432 H258 Co18 N36 O78 -","6","","","Shen, Jian-Qiang; Wei, Yong-Sheng; Liao, Pei-Qin; Lin, Rui-Biao; Zhou, Dong-Dong; Zhang, Jie-Peng; Chen, Xiao-Ming","Unique (3,9)-connected porous coordination polymers constructed by tripodal ligands with bent arms","CrystEngComm","2016","18","22","4115","","10.1039/C5CE02487K","","","0.71073","MoKα","","0.0571","0.038","","","0.0826","0.0914","","","","","","1.052","","","","has coordinates","185174","2020-10-21","18:00:00",""
"7223982","20.186","0.001","20.186","0.001","20.2891","0.0008","90","","90","","120","","7159.7","0.6","150","2","150.15","","","","","","","","","5","R 3","R 3","146","","","","- C72 H43 Co3 N6 O13 -","- C72 H43 Co3 N6 O13 -","- C216 H129 Co9 N18 O39 -","3","","","Shen, Jian-Qiang; Wei, Yong-Sheng; Liao, Pei-Qin; Lin, Rui-Biao; Zhou, Dong-Dong; Zhang, Jie-Peng; Chen, Xiao-Ming","Unique (3,9)-connected porous coordination polymers constructed by tripodal ligands with bent arms","CrystEngComm","2016","18","22","4115","","10.1039/C5CE02487K","","","0.71073","MoKα","","0.0535","0.0502","","","0.1258","0.1282","","","","","","1.059","","","","has coordinates","185174","2020-10-21","18:00:00",""
"7223983","27.3444","0.0008","27.3444","0.0008","71.115","0.002","90","","90","","120","","46050","2","150","2","150.15","","","","","","","","","5","R -3 c","-R 3 2""c","167","","","","- C72 H43 Co3 N30 O -","- C72 H43 Co3 N30 O -","- C864 H516 Co36 N360 O12 -","12","","","Shen, Jian-Qiang; Wei, Yong-Sheng; Liao, Pei-Qin; Lin, Rui-Biao; Zhou, Dong-Dong; Zhang, Jie-Peng; Chen, Xiao-Ming","Unique (3,9)-connected porous coordination polymers constructed by tripodal ligands with bent arms","CrystEngComm","2016","18","22","4115","","10.1039/C5CE02487K","","","0.71073","MoKα","","0.1062","0.0727","","","0.2478","0.2902","","","","","","1.031","","","","has coordinates,has disorder","185174","2020-10-21","18:00:00",""
"7223984","16.679","0.003","16.679","0.003","17.674","0.003","90","","90","","90","","4916.7","1.5","103","","103","","","","","","","","","5","I 4/m m m","-I 4 2","139","","","","- C60 H24 N8 O8 Zn3 -","- C60 H24 N8 O8 Zn3 -","- C120 H48 N16 O16 Zn6 -","2","0.0625","","Sakuma, Takao; Sakai, Hayato; Araki, Yasuyuki; Wada, Takehiko; Hasobe, Taku","Control of local structures and photophysical properties of zinc porphyrin-based supramolecular assemblies structurally organized by regioselective ligand coordination.","Physical chemistry chemical physics : PCCP","2016","18","7","5453","5463","10.1039/c5cp07110k","","","0.71075","MoKα","","","0.0889","","","","0.2511","","","","","","1.14","","","","has coordinates","177934","2020-10-21","18:00:00",""
"7223985","13.3203","0.0009","4.8791","0.0003","19.8516","0.0014","90","","100.245","0.006","90","","1269.61","0.15","100","2","100","2","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","Perfluoronaphthalene","Octafluoronaphthalene","","- C10 F8 -","- C10 F8 -","- C60 F48 -","6","1.5","","Dobrowolski, Michał A; Cyrański, Michał K; Wróbel, Zbigniew","Cyclic π-electron delocalization in non-planar linear acenes.","Physical chemistry chemical physics : PCCP","2016","18","17","11813","11820","10.1039/c5cp07056b","","","0.71073","MoKα","","0.0388","0.0256","","","0.0637","0.0663","","","","","","0.934","","","","has coordinates","182802","2020-10-21","18:00:00",""
"7223986","9.7244","0.0012","7.1739","0.0008","18.2816","0.0017","90","","98.317","0.009","90","","1261.9","0.2","100","2","100","2","","","","","","","","2","P 1 21/n 1","-P 2yn","14","Perchloronaphthalene","Octachloronaphthalene","","- C10 Cl8 -","- C10 Cl8 -","- C40 Cl32 -","4","1","","Dobrowolski, Michał A; Cyrański, Michał K; Wróbel, Zbigniew","Cyclic π-electron delocalization in non-planar linear acenes.","Physical chemistry chemical physics : PCCP","2016","18","17","11813","11820","10.1039/c5cp07056b","","","0.71073","MoKα","","0.0301","0.0197","","","0.0252","0.0257","","","","","","1.031","","","","has coordinates","182802","2020-10-21","18:00:00",""
"7223987","11.3832","0.0004","7.8114","0.0003","16.5506","0.0006","90","","90","","90","","1471.66","0.09","100","2","100","2","","","","","","","","2","P b c n","-P 2n 2ab","60","Perbromonaphthalene","Octabromonaphthalene","","- C10 Br8 -","- C10 Br8 -","- C40 Br32 -","4","0.5","","Dobrowolski, Michał A; Cyrański, Michał K; Wróbel, Zbigniew","Cyclic π-electron delocalization in non-planar linear acenes.","Physical chemistry chemical physics : PCCP","2016","18","17","11813","11820","10.1039/c5cp07056b","","","0.71073","MoKα","","0.0148","0.0109","","","0.0223","0.0227","","","","","","0.864","","","","has coordinates","182802","2020-10-21","18:00:00",""
"7223988","7.1558","0.0005","9.5084","0.0006","12.4684","0.0008","75.854","0.005","82.701","0.006","87.954","0.005","815.95","0.1","100","2","100","2","","","","","","","","2","P -1","-P 1","2","Perchloroanthracene","Decachloroanthracene","","- C14 Cl10 -","- C14 Cl10 -","- C28 Cl20 -","2","1","","Dobrowolski, Michał A; Cyrański, Michał K; Wróbel, Zbigniew","Cyclic π-electron delocalization in non-planar linear acenes.","Physical chemistry chemical physics : PCCP","2016","18","17","11813","11820","10.1039/c5cp07056b","","","0.71073","MoKα","","0.0392","0.0271","","","0.066","0.0678","","","","","","1.036","","","","has coordinates","182802","2020-10-21","18:00:00",""
"7223989","10.6168","0.0008","13.029","0.001","13.6786","0.001","90","","91.367","0.001","90","","1891.6","0.2","120","2","120","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C25 H23 N O -","- C25 H23 N O -","- C100 H92 N4 O4 -","4","1","","Varlamov, Alexey V.; Guranova, Natalia; Borisova, Tatiana N.; Khrustalev, Victor N.; Novikov, Roman; Baleeva, Nadejda; Ilyushenkova, Valentina; Voskressensky, Leonid","Synthesis of novel fluorescent 12a-aryl substituted indoxylisoquinolines via aryne-induced domino process","RSC Adv.","2016","","","","","10.1039/C5RA25323C","","","0.71073","MoKα","","0.0617","0.0454","","","0.118","0.1257","","","","","","1.073","","","","has coordinates","174840","2020-10-21","18:00:00",""
"7223990","7.4484","0.0002","13.8881","0.0005","19.3487","0.0007","90","","98.318","0.001","90","","1980.45","0.11","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C25 H17 N5 O -","- C25 H17 N5 O -","- C100 H68 N20 O4 -","4","1","","gajulapali, pratap reddy; Kanduru, Lokesh; Manjunatha, Vishwanath D.; Venkitasamy, KESAVAN","Organocatalytic Construction of Spirooxindole Naphthoquinones through Michael/hemiketalization using L-Proline derived Bifunctional Thiourea","RSC Adv.","2016","","","","","10.1039/C5RA25025K","","","0.71073","MoKα","","0.0786","0.0568","","","0.1395","0.1503","","","","","","1.085","","","","has coordinates","174841","2020-10-21","18:00:00",""
"7223991","22.8914","0.0008","5.7531","0.0002","23.238","0.0007","90","","113.464","0.004","90","","2807.3","0.18","296","2","296","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","2,6-bis(pyridine-4-ylethynyl)pyrazine","","","- C18 H10 N4 -","- C18 H10 N4 -","- C144 H80 N32 -","8","1","","Bhowmick, Sourav; Chakraborty, Sourav; Marri, Subba R.; Behera, J. N.; Das, Neeladri","Pyrazine-based donor tectons: synthesis, self-assembly and characterization","RSC Adv.","2016","6","11","8992","","10.1039/C5RA21484J","","","0.71073","MoKα","","0.0626","0.0431","","","0.1097","0.1214","","","","","","1.053","","","","has coordinates","174842","2020-10-21","18:00:00",""
"7223992","8.7624","0.0001","8.7624","0.0001","18.3758","0.0002","90","","90","","90","","1410.89","0.03","100","2","100","2","","","","","","","","4","P 43","P 4cw","78","","","","- C16 H13 N3 O3 -","- C16 H13 N3 O3 -","- C64 H52 N12 O12 -","4","1","","Wadhwa, Natasha R.; Hughes, Neil C.; Hachem, Jaafar A.; Mezei, Gellert","Metal-templated synthesis of intertwined, functionalized strands as precursors to molecularly woven materials","RSC Adv.","2016","","","","","10.1039/C5RA25584H","","","0.71073","MoKα","","0.0628","0.0436","","","0.0908","0.0995","","","","","","1.047","","","","has coordinates","174843","2020-10-21","18:00:00",""
"7223993","26.7698","0.0003","7.3672","0.0001","15.5539","0.0002","90","","97.758","0.001","90","","3039.44","0.07","100","2","100","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C32 H26 Ag N7 O9 -","- C32 H26 Ag N7 O9 -","- C128 H104 Ag4 N28 O36 -","4","1","","Wadhwa, Natasha R.; Hughes, Neil C.; Hachem, Jaafar A.; Mezei, Gellert","Metal-templated synthesis of intertwined, functionalized strands as precursors to molecularly woven materials","RSC Adv.","2016","","","","","10.1039/C5RA25584H","","","0.71073","MoKα","","0.0718","0.0389","","","0.0682","0.0778","","","","","","1.007","","","","has coordinates,has disorder","174843","2020-10-21","18:00:00",""
"7223994","15.2157","0.0002","14.5593","0.0002","22.9542","0.0003","90","","102.021","0.001","90","","4973.53","0.12","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C52 H44 Cu F6 N8 O12 P -","- C52 H44 Cu F6 N8 O12 P -","- C208 H176 Cu4 F24 N32 O48 P4 -","4","1","","Wadhwa, Natasha R.; Hughes, Neil C.; Hachem, Jaafar A.; Mezei, Gellert","Metal-templated synthesis of intertwined, functionalized strands as precursors to molecularly woven materials","RSC Adv.","2016","","","","","10.1039/C5RA25584H","","","0.71073","MoKα","","0.0673","0.0408","","","0.0928","0.1054","","","","","","1.027","","","","has coordinates","174843","2020-10-21","18:00:00",""
"7223995","14.5499","0.0002","18.864","0.0002","19.3788","0.0002","90","","105.378","0.001","90","","5128.46","0.11","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C50 H49 B Cu F4 N9 O14 -","- C50 H49 B Cu F4 N9 O14 -","- C200 H196 B4 Cu4 F16 N36 O56 -","4","1","","Wadhwa, Natasha R.; Hughes, Neil C.; Hachem, Jaafar A.; Mezei, Gellert","Metal-templated synthesis of intertwined, functionalized strands as precursors to molecularly woven materials","RSC Adv.","2016","","","","","10.1039/C5RA25584H","","","0.71073","MoKα","","0.0524","0.0359","","","0.0779","0.0857","","","","","","1.007","","","","has coordinates,has disorder","174843","2020-10-21","18:00:00",""
"7223996","14.153","0.0015","26.48","0.003","32.518","0.003","90","","114.332","0.002","90","","11104","2","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C29 H50 Co20 N24 O31 S25 -","- C25 H38 Co20 N24 O29 S25 -","- C100 H152 Co80 N96 O116 S100 -","4","1","","Mu, Bao; Wang, Qing; Huang, Rudan","The photocatalysis from a series of polyoxoazocobaltate high-nuclearity nanoclusters","RSC Adv.","2016","","","","","10.1039/C5RA26978D","","","0.71073","MoKα","","0.2267","0.1038","","","0.2204","0.2455","","","","","","1.032","","","","has coordinates,has disorder","193660","2020-10-21","18:00:00",""
"7223997","14.5685","0.0013","17.495","0.0019","25.288","0.002","89.739","0.002","79.136","0.001","66.413","0.001","5782.9","0.9","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C26 H61 Co20 N35 O34 S25 -","- C24 H25 Co20 N35 O29 S25 -","- C48 H50 Co40 N70 O58 S50 -","2","1","","Mu, Bao; Wang, Qing; Huang, Rudan","The photocatalysis from a series of polyoxoazocobaltate high-nuclearity nanoclusters","RSC Adv.","2016","","","","","10.1039/C5RA26978D","","","0.71073","MoKα","","0.1895","0.1009","","","0.2145","0.2403","","","","","","1.063","","","","has coordinates","174844","2020-10-21","18:00:00",""
"7223998","14.4302","0.0013","9.5516","0.0009","15.5504","0.0014","90","","102.986","0.001","90","","2088.5","0.3","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C40 H36 N4 O14 Zn3 -","- C40 H36 N4 O14 Zn3 -","- C80 H72 N8 O28 Zn6 -","2","0.5","","Wang, Xiao-Feng; Wang, Hongqing; Wang, Shuhong; Jun, Li; Li, Sheng-Biao; Zheng, Kangcheng; Han, Xin","Metallic Coordination Selectivity Effect the Trinuclear M3(RCOO)6 Secondary Building Units of Three Layer Metal-Carboxylate Frameworks","RSC Adv.","2016","","","","","10.1039/C6RA00213G","","","0.71073","MoKα","","0.0354","0.0291","","","0.0704","0.0803","","","","","","1.083","","","","has coordinates,has disorder","174846","2020-10-21","18:00:00",""
"7223999","9.909","0.004","12.597","0.006","16.646","0.007","74.998","0.007","89.086","0.007","87.634","0.007","2005.3","1.5","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C36 H40 Mn3 N4 O16 -","- C36 H40 Mn3 N4 O16 -","- C72 H80 Mn6 N8 O32 -","2","1","","Wang, Xiao-Feng; Wang, Hongqing; Wang, Shuhong; Jun, Li; Li, Sheng-Biao; Zheng, Kangcheng; Han, Xin","Metallic Coordination Selectivity Effect the Trinuclear M3(RCOO)6 Secondary Building Units of Three Layer Metal-Carboxylate Frameworks","RSC Adv.","2016","","","","","10.1039/C6RA00213G","","","0.71073","MoKα","","0.1427","0.0717","","","0.1875","0.2979","","","","","","1.001","","","","has coordinates","174846","2020-10-21","18:00:00",""
"7224000","14.48","0.005","9.769","0.003","17.82","0.004","90","","119.625","0.019","90","","2191.2","1.2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C40 H36 Co3 N4 O14 -","- C40 H36 Co3 N4 O14 -","- C80 H72 Co6 N8 O28 -","2","0.5","","Wang, Xiao-Feng; Wang, Hongqing; Wang, Shuhong; Jun, Li; Li, Sheng-Biao; Zheng, Kangcheng; Han, Xin","Metallic Coordination Selectivity Effect the Trinuclear M3(RCOO)6 Secondary Building Units of Three Layer Metal-Carboxylate Frameworks","RSC Adv.","2016","","","","","10.1039/C6RA00213G","","","0.71073","MoKα","","0.093","0.0724","","","0.18","0.1939","","","","","","1.066","","","","has coordinates,has disorder","174846","2020-10-21","18:00:00",""
"7224001","14.0134","0.0007","14.8016","0.0007","15.2457","0.0006","105.689","0.005","113.922","0.004","103.178","0.005","2570","0.3","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","","","- C94 H90 Mn8 N8 O28 -","- C94 H90 Mn8 N8 O28 -","- C94 H90 Mn8 N8 O28 -","1","0.5","","Yang, Fei; Deng, Yong-Kai; Guo, Ling-Yu; Su, Hai-Feng; Jagličić, Zvonko; Feng, Zhen-Yu; Zhuang, Gui-Lin; Zeng, Su-Yuan; Sun, Di","Structural, electrochemical and magnetic analyses of a new octanuclear MnIII2MnII6cluster with linked-defect cubane topology","CrystEngComm","2016","18","8","1329","","10.1039/C5CE02215K","","","1.54178","CuKα","","0.0935","0.0534","","","0.1121","0.1249","","","","","","0.888","","","","has coordinates","177753","2020-10-21","18:00:00",""
"7224002","8.127","0.003","15.764","0.011","8.041","0.003","90","","111.816","0.009","90","","956.4","0.8","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","CuClTAA3BP","","","- C7 H9 Cl Cu N2 S -","- C7 H9 Cl Cu N2 S -","- C28 H36 Cl4 Cu4 N8 S4 -","4","1","","Troyano, Javier; Perles, Josefina; Amo-Ochoa, Pilar; Zamora, Félix; Delgado, Salomé","Strong luminescent copper(i) halide coordination polymers and dinuclear complexes with thioacetamide and N,N′-donor ligands","CrystEngComm","2016","18","10","1809","","10.1039/C5CE02264A","","","0.71073","","","0.0362","0.0264","","","0.0627","0.0674","","","","","","1","","","","has coordinates","177745","2020-10-21","18:00:00",""
"7224003","8.8605","0.0002","9.6615","0.0002","11.7506","0.0002","66.423","0.001","82.85","0.001","78.316","0.001","901.79","0.03","296","2","296","2","","","","","","","","6","P -1","-P 1","2","CuClTAA/44bp","","","- C14 H18 Cl Cu N4 S2 -","- C14 H18 Cl Cu N4 S2 -","- C28 H36 Cl2 Cu2 N8 S4 -","2","1","","Troyano, Javier; Perles, Josefina; Amo-Ochoa, Pilar; Zamora, Félix; Delgado, Salomé","Strong luminescent copper(i) halide coordination polymers and dinuclear complexes with thioacetamide and N,N′-donor ligands","CrystEngComm","2016","18","10","1809","","10.1039/C5CE02264A","","","0.71073","","","0.0351","0.0272","","","0.0886","0.1089","","","","","","1.006","","","","has coordinates","177745","2020-10-21","18:00:00",""
"7224004","21.7441","0.0008","9.8378","0.0005","16.9298","0.0008","90","","90.766","0.002","90","","3621.2","0.3","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","CuBrbp","","","- C14 H18 Br Cu N4 S2 -","- C14 H18 Br Cu N4 S2 -","- C112 H144 Br8 Cu8 N32 S16 -","8","1","","Troyano, Javier; Perles, Josefina; Amo-Ochoa, Pilar; Zamora, Félix; Delgado, Salomé","Strong luminescent copper(i) halide coordination polymers and dinuclear complexes with thioacetamide and N,N′-donor ligands","CrystEngComm","2016","18","10","1809","","10.1039/C5CE02264A","","","0.71073","","","0.0415","0.0251","","","0.0691","0.0886","","","","","","1","","","","has coordinates","177745","2020-10-21","18:00:00",""
"7224005","21.91","0.003","9.9443","0.0015","16.891","0.003","90","","90.414","0.007","90","","3680.1","1","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","CuITAbp","","","- C28 H36 Cu2 I2 N8 S4 -","- C28 H36 Cu2 I2 N8 S4 -","- C112 H144 Cu8 I8 N32 S16 -","4","0.5","","Troyano, Javier; Perles, Josefina; Amo-Ochoa, Pilar; Zamora, Félix; Delgado, Salomé","Strong luminescent copper(i) halide coordination polymers and dinuclear complexes with thioacetamide and N,N′-donor ligands","CrystEngComm","2016","18","10","1809","","10.1039/C5CE02264A","","","0.71073","","","0.0224","0.0184","","","0.0582","0.0703","","","","","","1.001","","","","has coordinates","177745","2020-10-21","18:00:00",""
"7224006","7.9771","0.0001","10.673","0.0001","8.921","0.0001","90","","97.182","0.001","90","","753.571","0.015","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","CuClpyz","","","- C4 H7 Cl Cu N2 S -","- C4 H7 Cl Cu N2 S -","- C16 H28 Cl4 Cu4 N8 S4 -","4","1","","Troyano, Javier; Perles, Josefina; Amo-Ochoa, Pilar; Zamora, Félix; Delgado, Salomé","Strong luminescent copper(i) halide coordination polymers and dinuclear complexes with thioacetamide and N,N′-donor ligands","CrystEngComm","2016","18","10","1809","","10.1039/C5CE02264A","","","0.71073","","","0.0197","0.0187","","","0.052","0.0527","","","","","","1","","","","has coordinates","177745","2020-10-21","18:00:00",""
"7224007","7.4292","0.0002","8.0762","0.0002","9.614","0.0002","107.059","0.001","90.971","0.001","110.972","0.001","510.1","0.02","296","2","296","2","","","","","","","","6","P -1","-P 1","2","JA315b","","","- C4 H10 Cu I N2 S2 -","- C4 H10 Cu I N2 S2 -","- C8 H20 Cu2 I2 N4 S4 -","2","1","","Troyano, Javier; Perles, Josefina; Amo-Ochoa, Pilar; Zamora, Félix; Delgado, Salomé","Strong luminescent copper(i) halide coordination polymers and dinuclear complexes with thioacetamide and N,N′-donor ligands","CrystEngComm","2016","18","10","1809","","10.1039/C5CE02264A","","","0.71073","","","0.0221","0.0199","","","0.0503","0.0516","","","","","","1.004","","","","has coordinates","177745","2020-10-21","18:00:00",""
"7224008","13.8935","0.0005","14.0662","0.0008","18.2195","0.0011","108.577","0.002","110.263","0.003","97.592","0.003","3046.3","0.3","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C53 H42 N8 Ni O21 S3 U2 -","- C53 H40 N8 Ni O20.9999 S3 U2 -","- C106 H80 N16 Ni2 O41.9998 S6 U4 -","2","1","","Thuéry, Pierre; Harrowfield, Jack","Counter-ion control of structure in uranyl ion complexes with 2,5-thiophenedicarboxylate","CrystEngComm","2016","18","9","1550","","10.1039/C5CE02294K","","","0.71073","MoKα","","0.0511","0.0333","","","0.0881","0.0934","","","","","","1.056","","","","has coordinates","177763","2020-10-21","18:00:00",""
"7224009","10.8016","0.0004","20.409","0.0008","12.8547","0.0005","90","","105.973","0.002","90","","2724.41","0.18","150","2","150","2","","","","","","","","8","P 1 21 1","P 2yb","4","","","","- C38 H56 Cl Co N8 O26 S4 U2 -","- C38 H50 Cl Co N8 O26 S4 U2 -","- C76 H100 Cl2 Co2 N16 O52 S8 U4 -","2","1","","Thuéry, Pierre; Harrowfield, Jack","Counter-ion control of structure in uranyl ion complexes with 2,5-thiophenedicarboxylate","CrystEngComm","2016","18","9","1550","","10.1039/C5CE02294K","","","0.71073","MoKα","","0.0386","0.0338","","","0.1163","0.1194","","","","","","1.071","","","","has coordinates","177763","2020-10-21","18:00:00",""
"7224010","13.7311","0.0008","15.5105","0.0009","17.8862","0.0009","68.574","0.003","70.094","0.003","76.948","0.003","3311.7","0.3","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C128 H96 Fe2 N18 O44 S6 U5 -","- C128 H96 Fe2 N18 O44 S6 U5 -","- C128 H96 Fe2 N18 O44 S6 U5 -","1","0.5","","Thuéry, Pierre; Harrowfield, Jack","Counter-ion control of structure in uranyl ion complexes with 2,5-thiophenedicarboxylate","CrystEngComm","2016","18","9","1550","","10.1039/C5CE02294K","","","0.71073","MoKα","","0.0648","0.0519","","","0.1371","0.1436","","","","","","1.027","","","","has coordinates","177763","2020-10-21","18:00:00",""
"7224011","13.7804","0.0003","15.5944","0.0003","18.0932","0.0004","67.6388","0.0009","69.388","0.0009","76.7394","0.0011","3345.09","0.13","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C123 H87 N17 Ni2 O43 S6 U5 -","- C123 H87 N17 Ni2 O43 S6 U5 -","- C123 H87 N17 Ni2 O43 S6 U5 -","1","0.5","","Thuéry, Pierre; Harrowfield, Jack","Counter-ion control of structure in uranyl ion complexes with 2,5-thiophenedicarboxylate","CrystEngComm","2016","18","9","1550","","10.1039/C5CE02294K","","","0.71073","MoKα","","0.0746","0.0685","","","0.1862","0.1898","","","","","","1.096","","","","has coordinates","177763","2020-10-21","18:00:00",""
"7224012","26.1007","0.0003","26.1007","0.0003","6.695","0.0002","90","","90","","90","","4560.95","0.16","150","2","150","2","","","","","","","","7","P 42/n m c","-P 4ac 2a","137","","","","- C30 H26 Ag2 N6 O17 S3 U2 -","- C30 H24 Ag2 N6 O17 S3 U2 -","- C120 H96 Ag8 N24 O68 S12 U8 -","4","","","Thuéry, Pierre; Harrowfield, Jack","Counter-ion control of structure in uranyl ion complexes with 2,5-thiophenedicarboxylate","CrystEngComm","2016","18","9","1550","","10.1039/C5CE02294K","","","0.71073","MoKα","","0.0462","0.0393","","","0.0993","0.1023","","","","","","1.073","","","","has coordinates,has disorder","177763","2020-10-21","18:00:00",""
"7224013","18.4849","0.0002","26.8834","0.0006","31.5917","0.0008","90","","90","","90","","15699.1","0.6","150","2","150","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C136 H104 Ag5 N21 O41 S6 U4 -","- C136 H96 Ag5 N21 O41 S6 U4 -","- C544 H384 Ag20 N84 O164 S24 U16 -","4","1","","Thuéry, Pierre; Harrowfield, Jack","Counter-ion control of structure in uranyl ion complexes with 2,5-thiophenedicarboxylate","CrystEngComm","2016","18","9","1550","","10.1039/C5CE02294K","","","0.71073","MoKα","","0.0592","0.0446","","","0.1066","0.1107","","","","","","1.025","","","","has coordinates","177763","2020-10-21","18:00:00",""
"7224014","11.7735","0.0004","16.3609","0.0004","17.8475","0.0005","93.405","0.002","91.388","0.003","108.443","0.003","3252.19","0.17","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","Mn4La2","","- C41 H51 La2 Mn4 N11 O30 -","- C40.5 H49 La2 Mn4 N11 O30 -","- C81 H98 La4 Mn8 N22 O60 -","2","1","","Sun, Lei; Chen, Hui; Ma, Cheng-Bing; Chen, Chengneng","A New Topology of Hexanuclear [MnIII4LnIII2 ] Clusters: Syntheses, Structures, and Magnetic Properties","RSC Adv.","2016","","","","","10.1039/C5RA25526K","","","1.54184","CuKα","","0.0612","0.053","","","0.1417","0.1514","","","","","","0.871","","","","has coordinates,has disorder","175063","2020-10-21","18:00:00",""
"7224015","11.7632","0.0004","16.3266","0.0005","17.7806","0.0003","93.1011","0.0018","91.1479","0.0019","108.882","0.003","3223.78","0.17","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","Mn4Nd2","","- C41 H51 Mn4 N11 Nd2 O30 -","- C41 H49 Mn4 N11 Nd2 O30 -","- C82 H98 Mn8 N22 Nd4 O60 -","2","1","","Sun, Lei; Chen, Hui; Ma, Cheng-Bing; Chen, Chengneng","A New Topology of Hexanuclear [MnIII4LnIII2 ] Clusters: Syntheses, Structures, and Magnetic Properties","RSC Adv.","2016","","","","","10.1039/C5RA25526K","","","1.54184","CuKα","","0.0803","0.0709","","","0.1831","0.193","","","","","","0.995","","","","has coordinates,has disorder","175063","2020-10-21","18:00:00",""
"7224016","26.895","0.004","8.4616","0.001","21.724","0.003","90","","110.874","0.008","90","","4619.4","1.1","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C21 H22 Mo N4 O5 S -","- C21 H22 Mo N4 O5 S -","- C168 H176 Mo8 N32 O40 S8 -","8","1","","Maurya, Mannar R.; Saini, Neeraj; Avecilla, Fernando","Study of temperature dependent three components dynamic covalent assembly via Hantzsch reaction catalyzed by dioxido- and oxidoperoxidomolybdenum(VI) complexes under solvent free condition","RSC Adv.","2016","","","","","10.1039/C5RA24791H","","","0.71073","MoKα","","0.1808","0.0571","","","0.1223","0.1694","","","","","","0.971","","","","has coordinates","175064","2020-10-21","18:00:00",""
"7224017","9.4209","0.0008","10.7591","0.001","19.0075","0.0018","90","","93.017","0.005","90","","1923.9","0.3","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C19 H18 Mo N4 O5 -","- C19 H18 Mo N4 O5 -","- C76 H72 Mo4 N16 O20 -","4","1","","Maurya, Mannar R.; Saini, Neeraj; Avecilla, Fernando","Study of temperature dependent three components dynamic covalent assembly via Hantzsch reaction catalyzed by dioxido- and oxidoperoxidomolybdenum(VI) complexes under solvent free condition","RSC Adv.","2016","","","","","10.1039/C5RA24791H","","","0.71073","MoKα","","0.0322","0.0245","","","0.0609","0.065","","","","","","1.045","","","","has coordinates","175064","2020-10-21","18:00:00",""
"7224018","7.7039","0.0012","9.7133","0.0015","15.248","0.002","85.657","0.007","83.289","0.007","71.113","0.007","1071.3","0.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C21 H22 Mo N6 O5 -","- C21 H22 Mo N6 O5 -","- C42 H44 Mo2 N12 O10 -","2","1","","Maurya, Mannar R.; Saini, Neeraj; Avecilla, Fernando","Study of temperature dependent three components dynamic covalent assembly via Hantzsch reaction catalyzed by dioxido- and oxidoperoxidomolybdenum(VI) complexes under solvent free condition","RSC Adv.","2016","","","","","10.1039/C5RA24791H","","","0.71073","MoKα","","0.0262","0.0234","","","0.0651","0.0705","","","","","","1.146","","","","has coordinates","175064","2020-10-21","18:00:00",""
"7224019","7.6247","0.0004","17.1429","0.0009","15.4107","0.001","90","","94.512","0.003","90","","2008.1","0.2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H20 Mo N4 O6 -","- C20 H20 Mo N4 O6 -","- C80 H80 Mo4 N16 O24 -","4","1","","Maurya, Mannar R.; Saini, Neeraj; Avecilla, Fernando","Study of temperature dependent three components dynamic covalent assembly via Hantzsch reaction catalyzed by dioxido- and oxidoperoxidomolybdenum(VI) complexes under solvent free condition","RSC Adv.","2016","","","","","10.1039/C5RA24791H","","","0.71073","MoKα","","0.0575","0.0396","","","0.0902","0.1047","","","","","","1.047","","","","has coordinates","175064","2020-10-21","18:00:00",""
"7224020","7.4244","0.0002","17.9776","0.0006","16.4764","0.0005","90","","93.41","0.002","90","","2195.26","0.12","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H23 Mo N5 O7 -","- C20 H23 Mo N5 O7 -","- C80 H92 Mo4 N20 O28 -","4","1","","Maurya, Mannar R.; Saini, Neeraj; Avecilla, Fernando","Study of temperature dependent three components dynamic covalent assembly via Hantzsch reaction catalyzed by dioxido- and oxidoperoxidomolybdenum(VI) complexes under solvent free condition","RSC Adv.","2016","","","","","10.1039/C5RA24791H","","","0.71073","MoKα","","0.0596","0.0464","","","0.1159","0.1226","","","","","","1.052","","","","has coordinates","175064","2020-10-21","18:00:00",""
"7224021","15.513","0.002","15.513","0.002","26.445","0.004","90","","90","","90","","6364.1","1.5","296","2","296","2","","","","","","","","5","P 4/n n c","-P 4a 2bc","126","","","","- C28 H26 K O15 Tb -","- C28 H18 K O14 Tb -","- C224 H144 K8 O112 Tb8 -","8","","","Li, Yun; Wang, Ning; Huang, Jie-Yi; Zhang, Fei-Hua; Xiong, Yan-Ju; Cheng, Qian; Fang, Jie-Fang; Zhu, Fei-Fei; Long, Yi; Yue, Shan-Tang","KI-induced synthesis of highly connected 3D KI‒LnIIIheterobimetallic MOFs: temperature-dependent structure and physical properties","CrystEngComm","2016","18","9","1570","","10.1039/C6CE00006A","","","0.71073","MoKα","","0.1178","0.0719","","","0.205","0.2427","","","","","","0.953","","","","has coordinates","177761","2020-10-21","18:00:00",""
"7224022","15.322","0.002","15.322","0.002","26.327","0.004","90","","90","","90","","6180.6","1.5","296","2","296","2","","","","","","","","5","P 4/n n c","-P 4a 2bc","126","","","","- C28 H26 Dy K O15 -","- C28 H20 Dy K0.805 O14 -","- C224 H160 Dy8 K6.44 O112 -","8","","","Li, Yun; Wang, Ning; Huang, Jie-Yi; Zhang, Fei-Hua; Xiong, Yan-Ju; Cheng, Qian; Fang, Jie-Fang; Zhu, Fei-Fei; Long, Yi; Yue, Shan-Tang","KI-induced synthesis of highly connected 3D KI‒LnIIIheterobimetallic MOFs: temperature-dependent structure and physical properties","CrystEngComm","2016","18","9","1570","","10.1039/C6CE00006A","","","0.71073","MoKα","","0.1078","0.0822","","","0.2537","0.3021","","","","","","1.059","","","","has coordinates","177761","2020-10-21","18:00:00",""
"7224023","20.15","0.05","30.14","0.07","11.69","0.03","90","","90","","90","","7100","3","296","2","296","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C59 H39 K O28 Tb3 -","- C59 H38 K O28 Tb3 -","- C236 H152 K4 O112 Tb12 -","4","0.5","","Li, Yun; Wang, Ning; Huang, Jie-Yi; Zhang, Fei-Hua; Xiong, Yan-Ju; Cheng, Qian; Fang, Jie-Fang; Zhu, Fei-Fei; Long, Yi; Yue, Shan-Tang","KI-induced synthesis of highly connected 3D KI‒LnIIIheterobimetallic MOFs: temperature-dependent structure and physical properties","CrystEngComm","2016","18","9","1570","","10.1039/C6CE00006A","","","0.71073","MoKα","","0.1133","0.0609","","","0.1437","0.169","","","","","","1.001","","","","has coordinates","177761","2020-10-21","18:00:00",""
"7224024","19.1","0.003","28.26","0.004","11.1446","0.0019","90","","90","","90","","6015.5","1.6","293","2","293","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C59 H39 Dy3 K O28 -","- C59 H38 Dy3 K O28 -","- C236 H152 Dy12 K4 O112 -","4","0.5","","Li, Yun; Wang, Ning; Huang, Jie-Yi; Zhang, Fei-Hua; Xiong, Yan-Ju; Cheng, Qian; Fang, Jie-Fang; Zhu, Fei-Fei; Long, Yi; Yue, Shan-Tang","KI-induced synthesis of highly connected 3D KI‒LnIIIheterobimetallic MOFs: temperature-dependent structure and physical properties","CrystEngComm","2016","18","9","1570","","10.1039/C6CE00006A","","","0.71073","MoKα","","0.1007","0.0587","","","0.1349","0.1544","","","","","","1.048","","","","has coordinates","177761","2020-10-21","18:00:00",""
"7224025","8.2616","0.0005","11.0442","0.0007","11.8712","0.0007","69.313","0.004","76.743","0.004","71.691","0.004","953.45","0.11","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","E,E-N3,N3'-Bis(2-hydroxybenzylidene)-(2,2'-bipyridine)-3,3'-diamine","","- C24 H18 N4 O2 -","- C24 H18 N4 O2 -","- C48 H36 N8 O4 -","2","1","","Gumbau-Brisa, R.; Hayward, J. J.; Wallis, J. D.; Rawson, J. M.; Pilkington, M.","Structural insights into the coordination chemistry and reactivity of a 3,3′-bis-imine-2,2′-bipyridine ligand","CrystEngComm","2016","18","11","1892","","10.1039/C5CE02349A","","","0.71073","MoKα","","0.0836","0.0518","","","0.1435","0.1585","","","","","","1.376","","","","has coordinates","181612","2020-10-21","18:00:00",""
"7224026","8.3486","0.0014","27.473","0.005","11.3936","0.0017","90","","93.665","0.004","90","","2607.9","0.8","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","[6-(2'-Hydroxyphenyl)-6,7-dihydro-5H-dipyrido[3,2-d:2',3'-f][1,3]diazepine]tin(iV) tetrachloride.2C2H5OH","","- C21 H26 Cl4 N4 O3 Sn -","- C21 H26 Cl4 N4 O3 Sn -","- C84 H104 Cl16 N16 O12 Sn4 -","4","1","","Gumbau-Brisa, R.; Hayward, J. J.; Wallis, J. D.; Rawson, J. M.; Pilkington, M.","Structural insights into the coordination chemistry and reactivity of a 3,3′-bis-imine-2,2′-bipyridine ligand","CrystEngComm","2016","18","11","1892","","10.1039/C5CE02349A","","","0.71073","MoKα","","0.0731","0.0533","","","0.1327","0.1478","","","","","","1.156","","","","has coordinates,has disorder","181612","2020-10-21","18:00:00",""
"7224027","15.2508","0.001","23.2887","0.0016","12.9853","0.0008","90","","90","","90","","4612","0.5","150","2","150","2","","","","","","","","6","P n n a","-P 2a 2bc","52","","[6-(2'-Hydroxyphenyl)-6,7-dihydro-5H-dipyrido[3,2-d:2',3'-f][1,3]diazepine][salicylaldehydo]copper(II) perchlorate dimer methanol solvate","","- C49 H42 Cl2 Cu2 N8 O15 -","- C49 H42 Cl2 Cu2 N8 O15 -","- C196 H168 Cl8 Cu8 N32 O60 -","4","0.5","","Gumbau-Brisa, R.; Hayward, J. J.; Wallis, J. D.; Rawson, J. M.; Pilkington, M.","Structural insights into the coordination chemistry and reactivity of a 3,3′-bis-imine-2,2′-bipyridine ligand","CrystEngComm","2016","18","11","1892","","10.1039/C5CE02349A","","","0.71073","MoKα","","0.0619","0.0399","","","0.0959","0.1077","","","","","","1.033","","","","has coordinates,has disorder","181612","2020-10-21","18:00:00",""
"7224028","9.441","0.0005","10.9557","0.0006","10.9598","0.0006","64.848","0.003","88.44","0.004","72.81","0.003","973.92","0.1","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","[6-(2'-Hydroxyphenyl)-6,7-dihydro-5H-dipyrido[3,2-d:2',3'-f][1,3]diazepine]manganese(II)dichloride dimer","","- C38 H40 Cl4 Mn2 N8 O4 -","- C38 H40 Cl4 Mn2 N8 O4 -","- C38 H40 Cl4 Mn2 N8 O4 -","1","0.5","","Gumbau-Brisa, R.; Hayward, J. J.; Wallis, J. D.; Rawson, J. M.; Pilkington, M.","Structural insights into the coordination chemistry and reactivity of a 3,3′-bis-imine-2,2′-bipyridine ligand","CrystEngComm","2016","18","11","1892","","10.1039/C5CE02349A","","","0.71073","MoKα","","0.0448","0.0334","","","0.0784","0.0846","","","","","","1.026","","","","has coordinates,has disorder","181612","2020-10-21","18:00:00",""
"7224029","13.163","0.003","19.772","0.005","13.268","0.002","90","","92.198","0.007","90","","3450.6","1.3","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","[Bis(2-(3!-amino-2,2-bipyridin-3-imino)phenoxide)iron(III)] chlorideacetonitrile solvate","","- C38 H32 Cl Fe N10 O2 -","- C38 H32 Cl Fe N10 O2 -","- C152 H128 Cl4 Fe4 N40 O8 -","4","0.5","","Gumbau-Brisa, R.; Hayward, J. J.; Wallis, J. D.; Rawson, J. M.; Pilkington, M.","Structural insights into the coordination chemistry and reactivity of a 3,3′-bis-imine-2,2′-bipyridine ligand","CrystEngComm","2016","18","11","1892","","10.1039/C5CE02349A","","","0.71073","MoKα","","0.0745","0.042","","","0.0898","0.1016","","","","","","0.997","","","","has coordinates","181612","2020-10-21","18:00:00",""
"7224030","13.0767","0.0008","13.4441","0.0008","14.3843","0.0008","100.563","0.002","107.325","0.002","98.963","0.003","2312.8","0.2","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C52 H38 Fe2 N10 O5 -","- C52 H38 Fe2 N10 O5 -","- C104 H76 Fe4 N20 O10 -","2","1","","Gumbau-Brisa, R.; Hayward, J. J.; Wallis, J. D.; Rawson, J. M.; Pilkington, M.","Structural insights into the coordination chemistry and reactivity of a 3,3′-bis-imine-2,2′-bipyridine ligand","CrystEngComm","2016","18","11","1892","","10.1039/C5CE02349A","","","0.71073","MoKα","","0.0852","0.0719","","","0.1842","0.199","","","","","","1.266","","","","has coordinates","205752","2020-10-21","18:00:00",""
"7224031","16.9611","0.0004","11.238","0.0003","8.7019","0.0003","90","","101.676","0.002","90","","1624.34","0.08","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H24 Al N3 -","- C17 H24 Al N3 -","- C68 H96 Al4 N12 -","4","1","","Huang, Jui-Hsien; Hu, Ting-Jia; Wu, Ming-Chun; Wu, Shih-Sheng; Hu, Ching-Han; Lin, Chia-Her; Datta, Amitabha; Lin, Tzung-Han","Synthesis, Characterization and Reactivity Study of Aluminum Compounds Incorporating Bi- and Tri-dentate Pyrrole-piperazine Ligands","RSC Adv.","2016","","","","","10.1039/C6RA01694D","","","0.71073","MoKα","","0.0984","0.0513","","","0.111","0.1298","","","","","","1.025","","","","has coordinates","175148","2020-10-21","18:00:00",""
"7224032","26.8669","0.001","12.1406","0.0005","18.5317","0.0006","90","","115.23","0.002","90","","5468","0.4","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C30.5 H38.5 Al N3 O1.5 -","- C30.5 H38.5 Al N3 O1.5 -","- C244 H308 Al8 N24 O12 -","8","1","","Huang, Jui-Hsien; Hu, Ting-Jia; Wu, Ming-Chun; Wu, Shih-Sheng; Hu, Ching-Han; Lin, Chia-Her; Datta, Amitabha; Lin, Tzung-Han","Synthesis, Characterization and Reactivity Study of Aluminum Compounds Incorporating Bi- and Tri-dentate Pyrrole-piperazine Ligands","RSC Adv.","2016","","","","","10.1039/C6RA01694D","","","0.71073","MoKα","","0.1315","0.0698","","","0.173","0.2108","","","","","","1.041","","","","has coordinates","175148","2020-10-21","18:00:00",""
"7224033","16.2545","0.0007","16.3681","0.0009","19.4099","0.0007","101.233","0.004","109.15","0.004","90.535","0.004","4769.9","0.4","99.9","0.3","99.9","0.3","","","","","","","","3","P -1","-P 1","2","","","","- C84 H96 O8 -","- C84 H96 O8 -","- C168 H192 O16 -","2","1","","Iwanek, Waldemar; Stefańska, Karolina; Szumna, Agnieszka; Wierzbicki, Michał","Inherently chiral heterocyclic resorcinarenes using Diels-Alder reaction","RSC Adv.","2016","","","","","10.1039/C5RA26106F","","x-ray","0.71073","MoKα","","0.1204","0.0996","","","0.2922","0.3162","","","","","","1.217","","","","has coordinates,has disorder","175149","2020-10-21","18:00:00",""
"7224034","7.683","0.002","8.2572","0.0019","11.518","0.003","92.271","0.015","96.041","0.016","102.027","0.015","709.3","0.3","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C13 H16 N4 O3 -","- C13 H16 N4 O3 -","- C26 H32 N8 O6 -","2","1","","Dalal, Kiran Sharad; Tayade, Yogesh Ashok; Wagh, Yogesh Baburao; Trivedi, Darshak R.; Dalal, Dipak Sharadrao; Chaudhari, Bhushan Liladhar","Bovine Serum Albumin catalyzed one-pot, three-component synthesis of dihydropyrano[2,3-c]pyrazole derivatives in aqueous ethanol","RSC Adv.","2016","","","","","10.1039/C5RA13014J","","","0.71073","MoKα","","0.0978","0.0709","","","0.1779","0.2137","","","","","","0.966","","","","has coordinates","175150","2020-10-21","18:00:00",""
"7224035","8.4863","0.0004","10.0369","0.0005","10.8206","0.0005","87.988","0.003","78.876","0.003","66.293","0.003","827.1","0.07","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C17 H14 Cl N5 O2 -","- C17 H14 Cl N5 O2 -","- C34 H28 Cl2 N10 O4 -","2","1","","Dalal, Kiran Sharad; Tayade, Yogesh Ashok; Wagh, Yogesh Baburao; Trivedi, Darshak R.; Dalal, Dipak Sharadrao; Chaudhari, Bhushan Liladhar","Bovine Serum Albumin catalyzed one-pot, three-component synthesis of dihydropyrano[2,3-c]pyrazole derivatives in aqueous ethanol","RSC Adv.","2016","","","","","10.1039/C5RA13014J","","","0.71073","MoKα","","0.1161","0.0858","","","0.2616","0.2722","","","","","","1.458","","","","has coordinates","175150","2020-10-21","18:00:00",""
"7224036","6.958","0.005","3.937","0.003","45.96","0.03","90","","91.278","0.009","90","","1258.7","1.6","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","α-(3-methyl-4-(hydroxyimino)-2,5-cyclohexadien-1-ylidene)benzeneacetonitrile","","- C15 H12 N2 O -","- C15 H12 N2 O -","- C60 H48 N8 O4 -","4","1","","hong, zhi; Li, Jianjun; Chen, Guang; Jiang, Huajiang; Yang, Xiao-Feng; Pan, Heng; Su, Weike","Solvent-free mechanochemical synthesis of arylcyanomethylenequinone oximes from phenylacetonitriles and 4-unsubstituted nitroaromatic compounds using KF/nano-γ-Al2O3 as catalyst","RSC Adv.","2016","","","","","10.1039/C5RA23606A","","","0.71073","MoKα","","0.1307","0.0784","","","0.2199","0.2605","","","","","","1.033","","","","has coordinates,has disorder","175151","2020-10-21","18:00:00",""
"7224037","14.9175","0.0002","7.0467","0.0001","22.1982","0.0003","90","","105.239","0.001","90","","2251.41","0.05","140","2","140","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C26 H26 N4 O4 -","- C26 H26 N4 O4 -","- C104 H104 N16 O16 -","4","1","","Yang, Yadi; Cheng, Xuemei; Liu, Wei; Han, Zhu-zhen; Chou, Guixin; Wang, Ying; Sun, Duxin; Wang, Zhengtao; Wang, Changhong","Peganumine B-I and two enantiomers, new alkaloids from the seeds of Peganum harmala Linn and its potential cytotoxicity and cholinesterases inhibitory activities","RSC Adv.","2016","","","","","10.1039/C6RA00086J","","","1.54178","CuKα","","0.0425","0.0407","","","0.108","0.1098","","","","","","1.036","","","","has coordinates","175152","2020-10-21","18:00:00",""
"7224038","13.7436","0.0002","13.7436","0.0002","7.5954","0.0001","90","","90","","120","","1242.46","0.03","140","2","140","2","","","","","","","","4","P 32","P 32","145","","","","- C18 H22 N2 O5 -","- C18 H22 N2 O5 -","- C54 H66 N6 O15 -","3","1","","Yang, Yadi; Cheng, Xuemei; Liu, Wei; Han, Zhu-zhen; Chou, Guixin; Wang, Ying; Sun, Duxin; Wang, Zhengtao; Wang, Changhong","Peganumine B-I and two enantiomers, new alkaloids from the seeds of Peganum harmala Linn and its potential cytotoxicity and cholinesterases inhibitory activities","RSC Adv.","2016","","","","","10.1039/C6RA00086J","","","1.54178","CuKα","","0.0385","0.038","","","0.1048","0.1055","","","","","","1.052","","","","has coordinates","175152","2020-10-21","18:00:00",""
"7224039","10.7205","0.0002","11.7474","0.0001","11.4676","0.0001","90","","107.73","","90","","1375.61","0.03","140","2","140","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H17 N3 O4 -","- C15 H17 N3 O4 -","- C60 H68 N12 O16 -","4","1","","Yang, Yadi; Cheng, Xuemei; Liu, Wei; Han, Zhu-zhen; Chou, Guixin; Wang, Ying; Sun, Duxin; Wang, Zhengtao; Wang, Changhong","Peganumine B-I and two enantiomers, new alkaloids from the seeds of Peganum harmala Linn and its potential cytotoxicity and cholinesterases inhibitory activities","RSC Adv.","2016","","","","","10.1039/C6RA00086J","","","1.54178","CuKα","","0.0621","0.0592","","","0.1574","0.1674","","","","","","1.108","","","","has coordinates","175152","2020-10-21","18:00:00",""
"7224040","13.0629","0.0004","7.837","0.0002","11.6838","0.0003","90","","90","","90","","1196.12","0.06","203","2","203","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C6 H16 B2 F8 N2 O -","- C6 H16 B2 F8 N2 O -","- C24 H64 B8 F32 N8 O4 -","4","1","","Han, Xiang-Bin; Hu, Pan; Shi, Chao; Zhang, Wen","1,4-Diazabicyclo[2.2.2]octane-based disalts showing non-centrosymmetric structures and phase transition behaviors","CrystEngComm","2016","18","9","1563","","10.1039/C5CE02066B","","","1.54178","CuKα","","0.0884","0.0873","","","0.2236","0.2244","","","","","","1.052","","","","has coordinates,has disorder","177760","2020-10-21","18:00:00",""
"7224041","13.231","0.01","7.883","0.007","11.786","0.01","90","","90","","90","","1229.3","1.8","296","2","296","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C6 H16 B2 F8 N2 O -","- C6 H16 B2 F8 N2 O -","- C24 H64 B8 F32 N8 O4 -","4","1","","Han, Xiang-Bin; Hu, Pan; Shi, Chao; Zhang, Wen","1,4-Diazabicyclo[2.2.2]octane-based disalts showing non-centrosymmetric structures and phase transition behaviors","CrystEngComm","2016","18","9","1563","","10.1039/C5CE02066B","","","1.54178","CuKα","","0.0424","0.0415","","","0.1182","0.1192","","","","","","1.02","","","","has coordinates,has disorder","177760","2020-10-21","18:00:00",""
"7224042","13.357","0.01","8.073","0.007","11.836","0.01","90","","90","","90","","1276.3","1.8","293","2","293","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C6 H16 Cl2 N2 O9 -","- C6 H16 Cl2 N2 O9 -","- C24 H64 Cl8 N8 O36 -","4","1","","Han, Xiang-Bin; Hu, Pan; Shi, Chao; Zhang, Wen","1,4-Diazabicyclo[2.2.2]octane-based disalts showing non-centrosymmetric structures and phase transition behaviors","CrystEngComm","2016","18","9","1563","","10.1039/C5CE02066B","","","0.71073","MoKα","","0.0375","0.0337","","","0.0818","0.0841","","","","","","1.026","","","","has coordinates,has disorder","177760","2020-10-21","18:00:00",""
"7224043","13.296","0.01","8.069","0.006","11.772","0.009","90","","90","","90","","1263","1.6","293","2","293","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C6 H16 Cl2 N2 O9 -","- C6 H16 Cl2 N2 O9 -","- C24 H64 Cl8 N8 O36 -","4","1","","Han, Xiang-Bin; Hu, Pan; Shi, Chao; Zhang, Wen","1,4-Diazabicyclo[2.2.2]octane-based disalts showing non-centrosymmetric structures and phase transition behaviors","CrystEngComm","2016","18","9","1563","","10.1039/C5CE02066B","","","0.71073","MoKα","","0.0565","0.0553","","","0.1263","0.127","","","","","","1.173","","","","has coordinates","177760","2020-10-21","18:00:00",""
"7224044","20.7414","0.0014","32.981","0.002","9.7539","0.0007","90","","90","","90","","6672.4","0.8","296","2","296","2","","","","","","","","7","F d d 2","F 2 -2d","43","","","","- C72 H60 Cl4 Mn O4 P4 Zn -","- C72 H60 Cl4 Mn O4 P4 Zn -","- C288 H240 Cl16 Mn4 O16 P16 Zn4 -","4","0.25","","Liu, Xiaolong; Wang, Guangqiang; Dang, Yangyang; Zhang, Shaojun; Tian, Hanlin; Ren, Yan; Tao, Xutang","A new potential nonlinear optical hybrid semi-organic crystal of ZnMnCl4(TPPO)4with attractive physical properties","CrystEngComm","2016","18","10","1818","","10.1039/C5CE02002F","","","0.71073","MoKα","","0.0253","0.0243","","","0.0665","0.0671","","","","","","1.074","","","","has coordinates","177743","2020-10-21","18:00:00",""
"7224045","20.718","0.005","33.018","0.005","9.751","0.005","90","0.005","90","0.005","90","0.005","6670","4","293","2","293","2","","","","","","","","6","F d d 2","F 2 -2d","43","","","","- C36 H30 Cl2 O2 P2 Zn -","- C36 H30 Cl2 O2 P2 Zn -","- C288 H240 Cl16 O16 P16 Zn8 -","8","0.5","","Liu, Xiaolong; Wang, Guangqiang; Dang, Yangyang; Zhang, Shaojun; Tian, Hanlin; Ren, Yan; Tao, Xutang","A new potential nonlinear optical hybrid semi-organic crystal of ZnMnCl4(TPPO)4with attractive physical properties","CrystEngComm","2016","18","10","1818","","10.1039/C5CE02002F","","","0.71073","MoKα","","0.0214","0.0203","","","0.0555","0.0559","","","","","","1.052","","","","has coordinates","177743","2020-10-21","18:00:00",""
"7224046","24.999","0.003","9.782","0.001","16.742","0.002","90","","121.979","0.004","90","","3472.8","0.7","123","1","123","1","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C13 H8 Cl3 O3 P2 Re -","- C13 H8 Cl3 O3 P2 Re -","- C104 H64 Cl24 O24 P16 Re8 -","8","1","","Hollering, Manuela; Reithmeier, Richard; Meister, Simon; Herdtweck, Eberhardt; Kühn, Fritz Elmar; Rieger, Bernhard","[Re(CO)3Cl(C5H4ClP)2] and [Re(CO)2Cl(C5H4ClP)3]: Synthesis and Characterization of Two Novel Rhenium(I) Phosphinine Complexes","RSC Adv.","2016","","","","","10.1039/C5RA25904E","","","0.71073","MoKα","","0.0264","0.0211","","","0.0474","0.0512","","","","","","1.101","","","","has coordinates","175223","2020-10-21","18:00:00",""
"7224047","16.1981","0.0006","13.2331","0.0005","9.8739","0.0004","90","","90","","90","","2116.48","0.14","123","1","123","1","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C17 H12 Cl4 O2 P3 Re -","- C17 H12 Cl4 O2 P3 Re -","- C68 H48 Cl16 O8 P12 Re4 -","4","1","","Hollering, Manuela; Reithmeier, Richard; Meister, Simon; Herdtweck, Eberhardt; Kühn, Fritz Elmar; Rieger, Bernhard","[Re(CO)3Cl(C5H4ClP)2] and [Re(CO)2Cl(C5H4ClP)3]: Synthesis and Characterization of Two Novel Rhenium(I) Phosphinine Complexes","RSC Adv.","2016","","","","","10.1039/C5RA25904E","","","0.71073","MoKα","","0.0199","0.0194","","","0.0469","0.0471","","","","","","1.077","","","","has coordinates","211179","2020-10-21","18:00:00",""
"7224048","13.876","0.002","12.212","0.002","7.7376","0.0015","90","","104.205","0.018","90","","1271.1","0.4","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C13 H11 Co N O6 -","- C13 H7 Co N O6 -","- C52 H28 Co4 N4 O24 -","4","1","","Hou, Juan-Juan; Li, Xiao-Qing; Tian, Bao-Qiang; Zhang, Xian-Ming","Genuine supramolecular isomers based on Y-shaped pyridinedicarboxylate ligands with distinct topology: 2D 63layer, kgd layer to 3D rtl net","CrystEngComm","2016","18","12","2065","","10.1039/C5CE02284C","","","0.71073","MoKα","","0.1275","0.0896","","","0.2021","0.2257","","","","","","1.102","","","","has coordinates","181599","2020-10-21","18:00:00",""
"7224049","6.4032","0.0003","7.7936","0.0003","12.7782","0.0006","74.095","0.004","83.775","0.004","84.04","0.004","607.82","0.05","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C13 H11 Co N O6 -","- C13 H11 Co N O6 -","- C26 H22 Co2 N2 O12 -","2","1","","Hou, Juan-Juan; Li, Xiao-Qing; Tian, Bao-Qiang; Zhang, Xian-Ming","Genuine supramolecular isomers based on Y-shaped pyridinedicarboxylate ligands with distinct topology: 2D 63layer, kgd layer to 3D rtl net","CrystEngComm","2016","18","12","2065","","10.1039/C5CE02284C","","","0.71073","MoKα","","0.0402","0.0332","","","0.0766","0.0804","","","","","","1.066","","","","has coordinates","181599","2020-10-21","18:00:00",""
"7224050","6.4023","0.0003","16.0344","0.0006","25.698","0.001","106.588","0.001","96.084","0.001","92.993","0.001","2504.62","0.18","273","2","273","2","","","","","","","","5","P -1","-P 1","2","","","","- C13 H11 Co N O6 -","- C13 H7 Co N O6 -","- C104 H56 Co8 N8 O48 -","8","4","","Hou, Juan-Juan; Li, Xiao-Qing; Tian, Bao-Qiang; Zhang, Xian-Ming","Genuine supramolecular isomers based on Y-shaped pyridinedicarboxylate ligands with distinct topology: 2D 63layer, kgd layer to 3D rtl net","CrystEngComm","2016","18","12","2065","","10.1039/C5CE02284C","","","0.71073","MoKα","","0.0636","0.0483","","","0.1313","0.1419","","","","","","1.063","","","","has coordinates","181599","2020-10-21","18:00:00",""
"7224051","7.4584","0.0003","8.9425","0.0004","31.2167","0.0013","90","","90","","90","","2082.05","0.15","90","2","90","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","Phosphonoselenoic acid ester","","- C24 H21 O2 P Se -","- C24 H21 O2 P Se -","- C96 H84 O8 P4 Se4 -","4","1","","Murai, Toshiaki; Maekawa, Yuuki; Hirai, Yuuki; Kuwabara, Kazuma; Minoura, Mao","Phosphonoselenoic Acid Esters from the Reaction between Phosphoroselenoyl Chlorides and Grignard Reagents: Synthetic and Stereochemical Aspects","RSC Adv.","2016","","","","","10.1039/C6RA00318D","","","0.71073","MoKα","","0.0255","0.0248","","","0.0662","0.0664","","","","","","1.136","","","","has coordinates","175268","2020-10-21","18:00:00",""
"7224052","20.9498","0.0007","12.8783","0.0004","16.4392","0.0006","90","","123.777","0.002","90","","3686.6","0.2","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C18 H18 Cl2 I N -","- C18 H18 Cl2 I N -","- C144 H144 Cl16 I8 N8 -","8","1","","jin, hai-shan; sun, rui; zhou, wei; zhao, li-ming","Diastereoselective Synthesis of 3,3-Dimethylazetidines via Intramolecular Iodine-Mediated Cyclization Reaction","RSC Adv.","2016","","","","","10.1039/C5RA21872A","","","0.71073","MoKα","","0.0481","0.0329","","","0.0747","0.0823","","","","","","1.031","","","","has coordinates","175269","2020-10-21","18:00:00",""
"7224053","9.376","0.003","12.051","0.004","14.783","0.005","70.869","0.006","74.94","0.005","78.883","0.006","1513.2","0.9","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C35 H36 N4 O5 -","- C35 H36 N4 O5 -","- C70 H72 N8 O10 -","2","1","","Chatterjee, Nabanita; Maity, Shubhra Bikash; Samadder, Asmita; Mukherjee, Puspal; Khuda-Bukhsh, Anisur Rahman; Bharadwaj, Parimal K.","A Chemosensor for Al3+ Ion in Aqueous Ethanol Medium: Photophysical and Live Cell Imaging Studies","RSC Adv.","2016","","","","","10.1039/C5RA23968K","","","0.71073","MoKα","","0.0896","0.0602","","","0.1401","0.1732","","","","","","1.046","","","","has coordinates","175270","2020-10-21","18:00:00",""
"7224054","30.105","0.003","30.105","0.003","14.0549","0.0013","90","","90","","90","","12738","2","150","2","150","2","","","","","","","","6","I 41/a","-I 4ad","88","","","","- C26.12 H72.5 Na4 Nb6 O35.12 Ru2 -","- C26.1244 H48 Na4 Nb6 O35.1244 Ru2 -","- C208.995 H384 Na32 Nb48 O280.995 Ru16 -","8","","","Abramov, Pavel A.; Vicent, Cristian; Kompankov, Nikolay B.; Laricheva, Yuliya A.; Sokolov, Maksim Nailyevich","Unique solubility of polyoxoniobate salts in methanol: coordination to cations and POM methylation","RSC Adv.","2016","","","","","10.1039/C5RA23918D","","x-ray","0.71073","MoKα","","0.054","0.0351","","","0.0971","0.1093","","","","","","1.051","","","","has coordinates","175271","2020-10-21","18:00:00",""
"7224055","10.776","0.0006","11.8756","0.0007","14.1839","0.0009","113.102","0.003","92.519","0.003","111.051","0.002","1521.58","0.17","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C30 H78 Ir2 K4 Nb6 O33 -","- C30 H54 Ir2 K4 Nb6 O33 -","- C30 H54 Ir2 K4 Nb6 O33 -","1","0.5","","Abramov, Pavel A.; Vicent, Cristian; Kompankov, Nikolay B.; Laricheva, Yuliya A.; Sokolov, Maksim Nailyevich","Unique solubility of polyoxoniobate salts in methanol: coordination to cations and POM methylation","RSC Adv.","2016","","","","","10.1039/C5RA23918D","","x-ray","0.71073","MoKα","","0.0463","0.0333","","","0.0942","0.1341","","","","","","1.157","","","","has coordinates","175271","2020-10-21","18:00:00",""
"7224056","14.6139","0.0005","9.3769","0.0003","19.9504","0.0005","90","","95.964","0.001","90","","2719.07","0.14","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C24 H66 K4 Nb6 O33 Rh2 -","- C24 H36 K4 Nb6 O33 Rh2 -","- C48 H72 K8 Nb12 O66 Rh4 -","2","0.5","","Abramov, Pavel A.; Vicent, Cristian; Kompankov, Nikolay B.; Laricheva, Yuliya A.; Sokolov, Maksim Nailyevich","Unique solubility of polyoxoniobate salts in methanol: coordination to cations and POM methylation","RSC Adv.","2016","","","","","10.1039/C5RA23918D","","x-ray","0.71073","MoKα","","0.0617","0.0398","","","0.1143","0.157","","","","","","1.143","","","","has coordinates,has disorder","175271","2020-10-21","18:00:00",""
"7224057","5.776","0.003","32.024","0.016","9.608","0.004","90","","115.031","0.013","90","","1610.3","1.4","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","(S,R)-3p","(S)-7-((R)-1-(4-bromophenyl)prop-2-yn-1-yl)-1,4-dioxaspiro[4.5]decan-8-one","","- C17 H17 Br O3 -","- C17 H17 Br O3 -","- C68 H68 Br4 O12 -","4","1","","Zhang, Cheng; Hui, Yun-Ze; Zhang, De-Yang; Hu, Xiang-Ping","Highly diastereo-/enantioselective Cu-catalyzed propargylic alkylations of propargyl acetates with cyclic enamines","RSC Adv.","2016","","","","","10.1039/C5RA25627E","","","0.71073","MoKα","","0.1427","0.0938","","","0.2529","0.2839","","","","","","1.066","","","","has coordinates","175272","2020-10-21","18:00:00",""
"7224058","10.0016","0.0005","10.9336","0.0005","11.1245","0.0006","105.508","0.004","106.64","0.004","110.161","0.004","999.42","0.11","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","","","- C24 H22 F N3 -","- C24 H22 F N3 -","- C48 H44 F2 N6 -","2","1","","Pratap, Ramendra; Singh, Surjeet; Shally, Shally; Shaw, Ranjay; Yadav, Reena; Kumar, Abhinav","Microwave directed metal-free regiodivergent synthesis of 1,2-teraryls and study of supramolecular interactions","RSC Adv.","2016","","","","","10.1039/C5RA25752B","","","0.71073","MoKα","","0.0728","0.0539","","","0.1288","0.1419","","","","","","0.93","","","","has coordinates","175273","2020-10-21","18:00:00",""
"7224059","28.77","0.03","8.771","0.008","10.211","0.001","90","","108.17","0.03","90","","2448","3","100","2","100","2","","","","","","","Aspergillus niger","4","C 1 2/c 1","-C 2yc","15","Nigerloxin dioxane water solvate","Nigerloxin dioxane water solvate","","- C12 H13 N O7 -","- C12 H13 N O7 -","- C96 H104 N8 O56 -","8","1","","Singh, Shiv Shankar; Vasantha, K. Y.; Sattur, A. P.; Thakur, Tejender S.","Experimental and computational crystal structure landscape study of nigerloxin: a fungal metabolite from Aspergillus niger","CrystEngComm","2016","18","10","1740","","10.1039/C5CE02572A","","x-ray","0.71075","MoKα","","0.087","0.0636","","","0.1703","0.205","","","","","","1.105","","","","has coordinates","177746","2020-10-21","18:00:00",""
"7224060","11.277","0.004","8.788","0.003","9.851","0.004","90","","96.003","0.007","90","","970.9","0.6","100","2","100","2","","","","","","","Aspergillus niger","4","P 1 21/c 1","-P 2ybc","14","Nigerloxin monohydrate","Nigerloxin monohydrate","","- C10 H9 N O6 -","- C10 H9 N O6 -","- C40 H36 N4 O24 -","4","1","","Singh, Shiv Shankar; Vasantha, K. Y.; Sattur, A. P.; Thakur, Tejender S.","Experimental and computational crystal structure landscape study of nigerloxin: a fungal metabolite from Aspergillus niger","CrystEngComm","2016","18","10","1740","","10.1039/C5CE02572A","","x-ray","0.71075","MoKα","","0.0567","0.037","","","0.0867","0.0926","","","","","","1.042","","","","has coordinates","177746","2020-10-21","18:00:00",""
"7224061","8.4061","0.0012","8.6026","0.0012","12.582","0.002","91.647","0.005","102.618","0.005","112.149","0.004","816.1","0.2","0","2","0","2","","","","","","","","3","P -1","-P 1","2","","","","- C20 H22 O -","- C20 H22 O -","- C40 H44 O2 -","2","1","","Wang, Kuai; Meng, Ling-Guo; Zhang, Qi; Wang, Lei","Direct construction of 4-aryl tetralones via visible-light-induced cyclization of styrenes with molecular oxygen","Green Chem.","2016","18","9","2864","","10.1039/C5GC02550H","","","0.71073","MoKα","","0.0642","0.0568","","","0.1689","0.182","","","","","","0.999","","","","has coordinates","182766","2020-10-21","18:00:00",""
"7224062","8.758","0.0018","9.019","0.0018","10.089","0.002","93.78","0.03","98.83","0.03","107.13","0.03","747.3","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C17 H11 Br2 N O2 -","- C17 H11 Br2 N O2 -","- C34 H22 Br4 N2 O4 -","2","1","","Du, Ding; Lu, Tao; Xu, Junyu; Zhang, Weiguo; Liu, Yishan; Liu, Ming; Zhu, Suzhen; Hua, Xi; Chen, Siyi","Formal [3+3] Annulation of Isatin-derived 2-Bromoenals with 1, 3-Dicarbonyl Compounds Enabled by Lewis Acid/N-Heterocyclic Carbene Cooperative Catalysis","RSC Adv.","2016","","","","","10.1039/C5RA27848A","","","0.71073","MoKα","","0.1576","0.0772","","","0.1465","0.1726","","","","","","1.006","","","","has coordinates","175315","2020-10-21","18:00:00",""
"7224063","11.722","0.002","14.44","0.003","26.137","0.005","90","","93.644","0.002","90","","4415.2","1.5","93","","93","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C29 H29 K4 N Na2 O24 S8 -","- C29 H28.692 K4 N Na2 O24 S8 -","- C116 H114.768 K16 N4 Na8 O96 S32 -","4","1","","Kunda, Uma Maheswara Rao; Yamada, Manabu; Katagiri, Hiroshi; Hamada, Fumio","Self-induced organic guest packed in three dimensional architecture based on hetero-alkali metallic sulfonatothiacalix[4]arene","RSC Adv.","2016","","","","","10.1039/C5RA27640C","","","0.71075","MoKα","","0.0509","0.0444","","","0.092","0.0955","","","","","","1.123","","","","has coordinates,has disorder","175316","2020-10-21","18:00:00",""
"7224064","8.5114","0.0005","9.3301","0.0006","9.619","0.0006","68.543","0.002","88.694","0.002","86.51","0.002","709.61","0.08","123","2","123","2","","","","","","","","5","P -1","-P 1","2","","","","- C15 H19 N3 O S -","- C15 H19 N3 O S -","- C30 H38 N6 O2 S2 -","2","1","","Steinebach, Christian; Schulz-Fincke, Anna-Christina; Schnakenburg, Gregor; Gütschow, Michael","In situ generation and trapping of thioimidates: an intermolecular tandem reaction to 4-acylimino-4H-3,1-benzothiazines","RSC Adv.","2016","","","","","10.1039/C6RA00196C","","","0.71073","MoKα","","0.0447","0.0356","","","0.078","0.0851","","","","","","1.096","","","","has coordinates","175317","2020-10-21","18:00:00",""
"7224065","11.863","0.001","14.09","0.001","14.457","0.001","90","","90","","90","","2416.5","0.3","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","N-methyl-N-oxymorpholinium phenyl phosphate","4-methylmorpholino-4-ium phenyl phosphate","","- C11 H16 N O5 P -","- C11 H16 N O5 P -","- C88 H128 N8 O40 P8 -","8","1","","Materna, Magdalena; Stawinski, Jacek; Kiliszek, Agnieszka; Rypniewski, Wojciech; Sobkowski, Michal","Oxyonium phosphobetaines ‒ unusually stable nucleophilic catalyst-phosphate complexes formed from H-phosphonates and N-oxides","RSC Adv.","2016","","","","","10.1039/C5RA27465F","","","0.88561","synchrotron","","0.0475","0.0431","","","0.1216","0.1265","","","","","","1.071","","","","has coordinates","175318","2020-10-21","18:00:00",""
"7224066","6.208","0.001","7.218","0.001","12.496","0.001","90","","102.22","","90","","547.25","0.12","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","phenyl trimethyloxyammonium phosphate","phenyl (trimethylammonio) phosphate","","- C9 H14 N O4 P -","- C9 H14 N O4 P -","- C18 H28 N2 O8 P2 -","2","1","","Materna, Magdalena; Stawinski, Jacek; Kiliszek, Agnieszka; Rypniewski, Wojciech; Sobkowski, Michal","Oxyonium phosphobetaines ‒ unusually stable nucleophilic catalyst-phosphate complexes formed from H-phosphonates and N-oxides","RSC Adv.","2016","","","","","10.1039/C5RA27465F","","","0.88561","synchrotron","","0.0256","0.025","","","0.0647","0.0651","","","","","","1.046","","","","has coordinates","175318","2020-10-21","18:00:00",""
"7224067","18.537","0.002","10.3318","0.0016","9.9527","0.001","90","","90","","90","","1906.1","0.4","293","2","293","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C20 H16 N6 O2 -","- C20 H16 N6 O2 -","- C80 H64 N24 O8 -","4","0.5","","Singh, Divya Pratap; Allam, Bharat Kumar; Singh, Rahul; Singh, Krishna Nand; Singh, Vinod Prasad","A binuclear Cu(I) complex as novel catalyst towards direct synthesis of N‒2‒aryl‒substituted‒1,2,3‒triazoles from chalcones","RSC Adv.","2016","","","","","10.1039/C5RA27907K","","","0.71073","MoKα","","0.1502","0.0684","","","0.0972","0.1236","","","","","","1.053","","","","has coordinates","175319","2020-10-21","18:00:00",""
"7224068","12.557","0.0014","21.963","0.002","16.506","0.0018","90","","103.072","0.01","90","","4434.2","0.8","293","2","293","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C94 H82 Cl0 Cu2 N8 O10 P4 -","- C94 H84 Cu2 N8 O10 P4 -","- C188 H168 Cu4 N16 O20 P8 -","2","0.5","","Singh, Divya Pratap; Allam, Bharat Kumar; Singh, Rahul; Singh, Krishna Nand; Singh, Vinod Prasad","A binuclear Cu(I) complex as novel catalyst towards direct synthesis of N‒2‒aryl‒substituted‒1,2,3‒triazoles from chalcones","RSC Adv.","2016","","","","","10.1039/C5RA27907K","","","0.71073","MoKα","","0.1072","0.0565","","","0.1168","0.1407","","","","","","1.015","","","","has coordinates","175319","2020-10-21","18:00:00",""
"7224069","42.6717","0.0011","26.3547","0.0007","33.6116","0.0009","90","","113.576","0.001","90","","34644.5","1.6","150","2","150","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","{Co16 Cl4 (HCO2)4 (H2O)4 [C40H44S4O4]4 [C13FH6NO4]4}","","","- C216 H212 Cl4 Co16 F4 N4 O44 S16 -","- C216 H194 Cl4 Co16 F4 N4 O44 S16 -","- C864 H776 Cl16 Co64 F16 N16 O176 S64 -","4","0.5","","Hang, Xinxin; Wang, Shentang; Zhu, Xiaofei; Han, Haitao; Liao, Wuping","pH-dependent formation of different coordination cages based on Co4-TC4A secondary building units and bridging ligands","CrystEngComm","2016","18","26","4938","","10.1039/C6CE00028B","","","1.54178","CuKα","","0.0744","0.0638","","","0.1492","0.1543","","","","","","1.099","","","","has coordinates,has disorder","185188","2020-10-21","18:00:00",""
"7224070","30.146","0.0005","30.146","0.0005","21.5634","0.0005","90","","90","","90","","19596.4","0.6","150","2","150","2","","","","","","","","8","I 4/m","-I 4","87","{Co16 Cl4 [C40H44S4O4]4 [C13FH6NO4]8}","","","- C264 H224 Cl4 Co16 F8 N8 O48 S16 -","- C264 H56 Cl4 Co16 F8 N8 O48 S16 -","- C528 H112 Cl8 Co32 F16 N16 O96 S32 -","2","0.125","","Hang, Xinxin; Wang, Shentang; Zhu, Xiaofei; Han, Haitao; Liao, Wuping","pH-dependent formation of different coordination cages based on Co4-TC4A secondary building units and bridging ligands","CrystEngComm","2016","18","26","4938","","10.1039/C6CE00028B","","","1.54178","CuKα","","0.0908","0.0857","","","0.2686","0.278","","","","","","1.133","","","","has coordinates,has disorder","185188","2020-10-21","18:00:00",""
"7224071","42.516","0.002","28.4143","0.0014","33.6347","0.0017","90","","111.972","0.002","90","","37682","3","294","2","294","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","{Co16 Cl4 (HCO2)4 (H2O)4 [C40H44S4O4]4 [C13H7NO4]4}","","","- C216 H216 Cl4 Co16 N4 O44 S16 -","- C216 H204 Cl4 Co16 N4 O44 S16 -","- C864 H816 Cl16 Co64 N16 O176 S64 -","4","0.5","","Hang, Xinxin; Wang, Shentang; Zhu, Xiaofei; Han, Haitao; Liao, Wuping","pH-dependent formation of different coordination cages based on Co4-TC4A secondary building units and bridging ligands","CrystEngComm","2016","18","26","4938","","10.1039/C6CE00028B","","","1.54178","CuKα","","0.0864","0.0675","","","0.1865","0.1967","","","","","","1.051","","","","has coordinates","185188","2020-10-21","18:00:00",""
"7224072","30.163","0.0003","30.163","0.0003","21.6122","0.0004","90","","90","","90","","19662.9","0.5","150","2","150","2","","","","","","","","7","I 4/m","-I 4","87","{Co16 Cl4 [C40H44S4O4]4 [C13H7NO4]8}","","","- C264 H232 Cl4 Co16 N8 O48 S16 -","- C264 H56 Cl4 Co16 N8 O48 S16 -","- C528 H112 Cl8 Co32 N16 O96 S32 -","2","0.125","","Hang, Xinxin; Wang, Shentang; Zhu, Xiaofei; Han, Haitao; Liao, Wuping","pH-dependent formation of different coordination cages based on Co4-TC4A secondary building units and bridging ligands","CrystEngComm","2016","18","26","4938","","10.1039/C6CE00028B","","","1.54178","CuKα","","0.1157","0.1102","","","0.3034","0.311","","","","","","1.111","","","","has coordinates,has disorder","185188","2020-10-21","18:00:00",""
"7224073","21.0408","0.0013","21.0408","0.0013","21.0408","0.0013","90","","90","","90","","9315.1","1","173","2","173","2","","","","","","","","7","P m -3 m","-P 4 2 3","221","","","","- C168 H432 Cl18 La12 N24 Ni15 O276 -","- C168 H96 Cl14 La12 N24 Ni15 O230 -","- C168 H96 Cl14 La12 N24 Ni15 O230 -","1","0.0208333","","Zhang, Han; Yan, Zhi-Hao; Luo, Yun; Zheng, Xiu-Ying; Kong, Xiang-Jian; Long, La-Sheng; Zheng, Lan-Sun","Anion-controlled assembly of a series of heterometallic 3d‒4f compounds with 0D cluster, 1D chain, 2D network and 3D frameworks","CrystEngComm","2016","18","22","4142","","10.1039/C5CE02503F","","","0.71073","MoKα","","0.0644","0.0637","","","0.1716","0.1724","","","","","","1.036","","","","has coordinates,has disorder","185171","2020-10-21","18:00:00",""
"7224074","20.9271","0.0003","20.9271","0.0003","20.9271","0.0003","90","","90","","90","","9164.9","0.2","173","2","173","2","","","","","","","","7","P m -3 m","-P 4 2 3","221","","","","- C168 H460 Cl18 Gd12 N24 Ni15 O290 -","- C168 Cl14 Gd12 N24 Ni15 O194 -","- C168 Cl14 Gd12 N24 Ni15 O194 -","1","0.0208333","","Zhang, Han; Yan, Zhi-Hao; Luo, Yun; Zheng, Xiu-Ying; Kong, Xiang-Jian; Long, La-Sheng; Zheng, Lan-Sun","Anion-controlled assembly of a series of heterometallic 3d‒4f compounds with 0D cluster, 1D chain, 2D network and 3D frameworks","CrystEngComm","2016","18","22","4142","","10.1039/C5CE02503F","","","0.71073","MoKα","","0.2181","0.1069","","","0.2436","0.2964","","","","","","1.042","","","","has coordinates,has disorder","185171","2020-10-21","18:00:00",""
"7224075","18.7646","0.0007","9.0729","0.0002","18.6765","0.0007","90","","116.804","0.004","90","","2838.02","0.19","173","2","173.15","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C14 H30 Cl La N2 Ni O21 -","- C14 H28 Cl La N2 Ni O21 -","- C56 H112 Cl4 La4 N8 Ni4 O84 -","4","1","","Zhang, Han; Yan, Zhi-Hao; Luo, Yun; Zheng, Xiu-Ying; Kong, Xiang-Jian; Long, La-Sheng; Zheng, Lan-Sun","Anion-controlled assembly of a series of heterometallic 3d‒4f compounds with 0D cluster, 1D chain, 2D network and 3D frameworks","CrystEngComm","2016","18","22","4142","","10.1039/C5CE02503F","","","0.71073","MoKα","","0.0387","0.0319","","","0.0873","0.0894","","","","","","1.08","","","","has coordinates","185171","2020-10-21","18:00:00",""
"7224076","18.633","0.0009","8.9756","0.0004","18.637","0.0009","90","","116.699","0.003","90","","2784.6","0.2","173","2","173.15","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C14 H36 Cl N2 Nd Ni O21 -","- C14 H18 Cl N2 Nd Ni O21 -","- C56 H72 Cl4 N8 Nd4 Ni4 O84 -","4","1","","Zhang, Han; Yan, Zhi-Hao; Luo, Yun; Zheng, Xiu-Ying; Kong, Xiang-Jian; Long, La-Sheng; Zheng, Lan-Sun","Anion-controlled assembly of a series of heterometallic 3d‒4f compounds with 0D cluster, 1D chain, 2D network and 3D frameworks","CrystEngComm","2016","18","22","4142","","10.1039/C5CE02503F","","","0.71073","MoKα","","0.0358","0.0314","","","0.077","0.0786","","","","","","1.08","","","","has coordinates","185171","2020-10-21","18:00:00",""
"7224077","9.2011","0.0018","12.234","0.002","12.51","0.003","85.62","0.03","80.05","0.03","68.91","0.03","1294","0.5","173","2","173.15","","","","","","","","","6","P -1","-P 1","2","","","","- C28 H68 N6 Nd2 Ni2 O38 -","- C28 H68 N6 Nd2 Ni2 O38 -","- C28 H68 N6 Nd2 Ni2 O38 -","1","0.5","","Zhang, Han; Yan, Zhi-Hao; Luo, Yun; Zheng, Xiu-Ying; Kong, Xiang-Jian; Long, La-Sheng; Zheng, Lan-Sun","Anion-controlled assembly of a series of heterometallic 3d‒4f compounds with 0D cluster, 1D chain, 2D network and 3D frameworks","CrystEngComm","2016","18","22","4142","","10.1039/C5CE02503F","","","0.71073","MoKα","","0.0259","0.0236","","","0.0563","0.0572","","","","","","1.046","","","","has coordinates","185171","2020-10-21","18:00:00",""
"7224078","9.1672","0.0018","12.17","0.002","12.442","0.003","85.92","0.03","79.65","0.03","68.68","0.03","1272","0.5","173","2","173.15","","","","","","","","","6","P -1","-P 1","2","","","","- C28 H36 Dy2 N6 Ni2 O38 -","- C28 H36 Dy2 N6 Ni2 O38 -","- C28 H36 Dy2 N6 Ni2 O38 -","1","0.5","","Zhang, Han; Yan, Zhi-Hao; Luo, Yun; Zheng, Xiu-Ying; Kong, Xiang-Jian; Long, La-Sheng; Zheng, Lan-Sun","Anion-controlled assembly of a series of heterometallic 3d‒4f compounds with 0D cluster, 1D chain, 2D network and 3D frameworks","CrystEngComm","2016","18","22","4142","","10.1039/C5CE02503F","","","0.71073","MoKα","","0.0355","0.0316","","","0.0824","0.0985","","","","","","1.156","","","","has coordinates","185171","2020-10-21","18:00:00",""
"7224079","7.558","0.002","11.269","0.003","15.561","0.004","100.694","0.005","103.838","0.004","105.732","0.005","1193.4","0.5","173","2","173.15","","","","","","","","","7","P -1","-P 1","2","","","","- C14 H34 Cl Dy N2 Ni O16 -","- C14 H34 Cl Dy N2 Ni O16 -","- C28 H68 Cl2 Dy2 N4 Ni2 O32 -","2","1","","Zhang, Han; Yan, Zhi-Hao; Luo, Yun; Zheng, Xiu-Ying; Kong, Xiang-Jian; Long, La-Sheng; Zheng, Lan-Sun","Anion-controlled assembly of a series of heterometallic 3d‒4f compounds with 0D cluster, 1D chain, 2D network and 3D frameworks","CrystEngComm","2016","18","22","4142","","10.1039/C5CE02503F","","","0.71073","MoKα","","0.0288","0.0277","","","0.0695","0.0702","","","","","","1.093","","","","has coordinates","185171","2020-10-21","18:00:00",""
"7224080","28.11","0.004","13.7799","0.0016","14.3362","0.0017","90","","100.267","0.003","90","","5464.3","1.2","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C21 H19 Eu N7 O9 -","- C21 H19 Eu N7 O9 -","- C168 H152 Eu8 N56 O72 -","8","1","","Wu, Lan-Lan; Zhao, Junfang; Wang, Hui; Wang, Jingyuan","A lanthanide(iii) metal‒organic framework exhibiting ratiometric luminescent temperature sensing and tunable white light emission","CrystEngComm","2016","18","23","4268","","10.1039/C5CE02444G","","","0.71073","MoKα","","0.0871","0.0602","","","0.1595","0.1744","","","","","","1.08","","","","has coordinates","185284","2020-10-21","18:00:00",""
"7224081","28.282","0.004","13.564","0.0018","14.509","0.002","90","","100.155","0.003","90","","5478.7","1.3","273","2","273","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C21 H19 N7 O9 Tb -","- C21 H19 N7 O9 Tb -","- C168 H152 N56 O72 Tb8 -","8","1","","Wu, Lan-Lan; Zhao, Junfang; Wang, Hui; Wang, Jingyuan","A lanthanide(iii) metal‒organic framework exhibiting ratiometric luminescent temperature sensing and tunable white light emission","CrystEngComm","2016","18","23","4268","","10.1039/C5CE02444G","","","0.71073","MoKα","","0.0736","0.051","","","0.139","0.1527","","","","","","1.056","","","","has coordinates","185284","2020-10-21","18:00:00",""
"7224082","5.8278","0.0004","10.3521","0.0006","10.4775","0.0006","90","","102.948","0.007","90","","616.04","0.07","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- B3 Na2 O8 Sb -","- B3 Na2 O8 Sb -","- B12 Na8 O32 Sb4 -","4","1","","Yan, Dong; Hu, Chun-Li; Mao, Jiang-Gao","A2SbB3O8(A = Na, K, Rb) and β-RbSbB2O6: two types of alkali boroantimonates with 3D anionic architectures composed of SbO6octahedra and borate groups","CrystEngComm","2016","18","9","1655","","10.1039/C5CE02324F","","","0.71073","MoKα","","0.0404","0.0336","","","0.0724","0.0762","","","","","","1.004","","","","has coordinates","177765","2020-10-21","18:00:00",""
"7224083","5.9013","0.0007","11.0876","0.001","10.9497","0.0012","90","","103.218","0.007","90","","697.47","0.13","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- B3 K2 O8 Sb -","- B3 K2 O8 Sb -","- B12 K8 O32 Sb4 -","4","1","","Yan, Dong; Hu, Chun-Li; Mao, Jiang-Gao","A2SbB3O8(A = Na, K, Rb) and β-RbSbB2O6: two types of alkali boroantimonates with 3D anionic architectures composed of SbO6octahedra and borate groups","CrystEngComm","2016","18","9","1655","","10.1039/C5CE02324F","","","0.71073","MoKα","","0.0282","0.0251","","","0.0691","0.0723","","","","","","0.944","","","","has coordinates","177765","2020-10-21","18:00:00",""
"7224084","5.9381","0.0006","11.2928","0.0005","11.3181","0.0015","90","","103.754","0.015","90","","737.2","0.14","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- B3 O8 Rb2 Sb -","- B3 O8 Rb2 Sb -","- B12 O32 Rb8 Sb4 -","4","1","","Yan, Dong; Hu, Chun-Li; Mao, Jiang-Gao","A2SbB3O8(A = Na, K, Rb) and β-RbSbB2O6: two types of alkali boroantimonates with 3D anionic architectures composed of SbO6octahedra and borate groups","CrystEngComm","2016","18","9","1655","","10.1039/C5CE02324F","","","0.71073","MoKα","","0.0294","0.0267","","","0.0649","0.066","","","","","","1.115","","","","has coordinates","177765","2020-10-21","18:00:00",""
"7224085","11.7148","0.0014","7.1633","0.0006","7.4109","0.0008","90","","125.435","0.01","90","","506.71","0.11","293","2","293","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- B2 O6 Rb Sb -","- B2 O6 Rb Sb -","- B8 O24 Rb4 Sb4 -","4","1","","Yan, Dong; Hu, Chun-Li; Mao, Jiang-Gao","A2SbB3O8(A = Na, K, Rb) and β-RbSbB2O6: two types of alkali boroantimonates with 3D anionic architectures composed of SbO6octahedra and borate groups","CrystEngComm","2016","18","9","1655","","10.1039/C5CE02324F","","","0.71073","MoKα","","0.0403","0.035","","","0.0812","0.0851","","","","","","1.041","","","","has coordinates","177765","2020-10-21","18:00:00",""
"7224086","24.6165","0.0009","35.8569","0.0015","30.2783","0.0012","90","","90","","90","","26725.8","1.8","296","2","296","2","","","","","","","","5","C m c e","-C 2ac 2","64","","","","- C54 H42 Co7 N6 O35 -","- C54 H42 Co7 N6 O35 -","- C432 H336 Co56 N48 O280 -","8","0.5","","Guo, Xiao-Qing; Wang, Miao; Tang, Yan-Feng; Meng, Fei; Jiang, Guo-Qing; Zhu, Jin-Li","A new Co-nitroimidazolate‒dicarboxylate pillared-layer network with various types of channels and ultra-large cages for gas uptake","CrystEngComm","2016","18","10","1768","","10.1039/C5CE02270C","","","0.71073","MoKα","","0.1094","0.0816","","","0.23","0.2494","","","","","","0.998","","","","has coordinates","177748","2020-10-21","18:00:00",""
"7224087","5.1749","0.0002","7.2736","0.0003","9.1901","0.0004","108.304","0.002","105.213","0.002","92.434","0.002","313.95","0.02","90","2","90","2","","","","","","","","4","P -1","-P 1","2","zinc maleate tetrahydrate","Tetra-aqua-bis(hydrogen maleato)-zinc(ii)","","- C8 H14 O12 Zn -","- C8 H14 O12 Zn -","- C8 H14 O12 Zn -","1","0.5","","Ruggiero, Michael T.; Korter, Timothy M.","The crucial role of water in shaping low-barrier hydrogen bonds.","Physical chemistry chemical physics : PCCP","2016","18","7","5521","5528","10.1039/c5cp07760e","","","0.71073","MoKα","","0.029","0.026","","","0.0616","0.063","","","","","","1.145","","","","has coordinates","177935","2020-10-21","18:00:00",""
"7224088","5.142","0.0003","7.2793","0.0004","9.1121","0.0005","108.025","0.003","105.191","0.003","92.14","0.003","310.38","0.03","90","2","90","2","","","","","","","","4","P -1","-P 1","2","nickel maleate tetrahydrate","Tetra-aqua-bis(hydrogen maleato)-nickel(ii)","","- C8 H14 Ni O12 -","- C8 H14 Ni O12 -","- C8 H14 Ni O12 -","1","0.5","","Ruggiero, Michael T.; Korter, Timothy M.","The crucial role of water in shaping low-barrier hydrogen bonds.","Physical chemistry chemical physics : PCCP","2016","18","7","5521","5528","10.1039/c5cp07760e","","","0.71073","MoKα","","0.0398","0.0321","","","0.0722","0.0751","","","","","","1.068","","","","has coordinates","177935","2020-10-21","18:00:00",""
"7224089","5.1742","0.0003","7.2742","0.0004","9.2053","0.0005","108.809","0.002","105.003","0.002","92.409","0.003","313.79","0.03","90","2","90","2","","","","","","","","4","P -1","-P 1","2","cobalt maleate tetrahydrate","Tetra-aqua-bis(hydrogen maleato)-cobalt(ii)","","- C8 H14 Co O12 -","- C8 H14 Co O12 -","- C8 H14 Co O12 -","1","0.5","","Ruggiero, Michael T.; Korter, Timothy M.","The crucial role of water in shaping low-barrier hydrogen bonds.","Physical chemistry chemical physics : PCCP","2016","18","7","5521","5528","10.1039/c5cp07760e","","","0.71073","MoKα","","0.0362","0.0269","","","0.0565","0.0597","","","","","","1.069","","","","has coordinates","177935","2020-10-21","18:00:00",""
"7224090","5.2115","0.0002","7.3307","0.0003","9.2529","0.0004","109.019","0.002","105.339","0.002","92.53","0.002","318.98","0.02","90","2","90","2","","","","","","","","4","P -1","-P 1","2","iron maleate tetrahydrate","Tetra-aqua-bis(hydrogen maleato)-iron(ii)","","- C8 H14 Fe O12 -","- C8 H14 Fe O12 -","- C8 H14 Fe O12 -","1","0.5","","Ruggiero, Michael T.; Korter, Timothy M.","The crucial role of water in shaping low-barrier hydrogen bonds.","Physical chemistry chemical physics : PCCP","2016","18","7","5521","5528","10.1039/c5cp07760e","","","0.71073","MoKα","","0.0494","0.0374","","","0.0715","0.0757","","","","","","1.089","","","","has coordinates","177935","2020-10-21","18:00:00",""
"7224091","5.2823","0.0002","7.3398","0.0003","9.3651","0.0003","109.765","0.002","105.152","0.002","92.454","0.002","326.37","0.02","90","2","90","2","","","","","","","","4","P -1","-P 1","2","manganese maleate tetrahydrate","Tetra-aqua-bis(hydrogen maleato)-manganese(ii)","","- C8 H14 Mn O12 -","- C8 H14 Mn O12 -","- C8 H14 Mn O12 -","1","0.5","","Ruggiero, Michael T.; Korter, Timothy M.","The crucial role of water in shaping low-barrier hydrogen bonds.","Physical chemistry chemical physics : PCCP","2016","18","7","5521","5528","10.1039/c5cp07760e","","","0.71073","MoKα","","0.0185","0.0166","","","0.0411","0.0421","","","","","","1.067","","","","has coordinates","177935","2020-10-21","18:00:00",""
"7224092","18.0182","0.0007","18.0182","0.0007","19.6454","0.0015","90","","90","","90","","6378","0.6","296","2","296","2","","","","","","","","7","I 4/m c m","-I 4 2c","140","","","","- C28 H24 Ag9 Mo12 N16 O41 P -","- C28 H24 Ag9 Mo12 N16 O41 P -","- C112 H96 Ag36 Mo48 N64 O164 P4 -","4","0.125","","Wang, Chun-Jie; Wang, Ting-Ting; Lan, Qing; Yao, shuang; Wu, Hong-Li; Zhang, Zhi-Ming; Wang, Enbo","Polyoxometalate-Based Supramolecular Architecture Constructed from Purely Inorganic 1D Chain and Metal-Organic Layer with Efficient Catalytic Activity","RSC Adv.","2016","","","","","10.1039/C5RA23830G","","","0.71073","MoKα","","0.0725","0.0594","","","0.1511","0.1612","","","","","","0.978","","","","has coordinates,has disorder","175408","2020-10-21","18:00:00",""
"7224093","10.7467","0.0005","15.8854","0.0007","19.3945","0.001","90","","91.363","0.002","90","","3310","0.3","173","2","173","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C37 H34 Dy N O8 -","- C37 H33 Dy N O8 -","- C148 H132 Dy4 N4 O32 -","4","1","","Cao, Xiao-Man; Wei, Na; Liu, Lin; Li, Li; Han, Zheng-Bo","Luminescent Lanthanide-Organic Polyrotaxane Framework as a Turn-Off Sensor for nitrobenzene and Fe3+","RSC Adv.","2016","","","","","10.1039/C5RA25872C","","","0.71073","MoKα","","0.1015","0.0525","","","0.1124","0.1329","","","","","","1.014","","","","has coordinates,has disorder","175409","2020-10-21","18:00:00",""
"7224094","10.8481","0.001","15.9105","0.0013","19.5148","0.0016","90","","92.135","0.002","90","","3365.9","0.5","293","2","293","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C37 H34 N O8 Tb -","- C37 H24 N O8 Tb -","- C148 H96 N4 O32 Tb4 -","4","1","","Cao, Xiao-Man; Wei, Na; Liu, Lin; Li, Li; Han, Zheng-Bo","Luminescent Lanthanide-Organic Polyrotaxane Framework as a Turn-Off Sensor for nitrobenzene and Fe3+","RSC Adv.","2016","","","","","10.1039/C5RA25872C","","","0.71073","MoKα","","0.1151","0.0513","","","0.1168","0.1452","","","","","","1.038","","","","has coordinates,has disorder","175409","2020-10-21","18:00:00",""
"7224095","10.8349","0.0005","15.8724","0.0008","19.5158","0.0012","90","","92.229","0.002","90","","3353.7","0.3","293","2","293","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C37 H34 Er N O8 -","- C37 H33 Er N O8 -","- C148 H132 Er4 N4 O32 -","4","1","","Cao, Xiao-Man; Wei, Na; Liu, Lin; Li, Li; Han, Zheng-Bo","Luminescent Lanthanide-Organic Polyrotaxane Framework as a Turn-Off Sensor for nitrobenzene and Fe3+","RSC Adv.","2016","","","","","10.1039/C5RA25872C","","","0.71073","MoKα","","0.1049","0.0527","","","0.1262","0.1516","","","","","","1.022","","","","has coordinates","175409","2020-10-21","18:00:00",""
"7224096","9.6907","0.0009","21.234","0.002","8.2891","0.0008","90","","95.872","0.002","90","","1696.7","0.3","133","2","133","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H21 N2 O3 -","- C19 H21 N2 O3 -","- C76 H84 N8 O12 -","4","1","","Shao, Xusheng; Sun, Feilong; Li, Z.","Access of Indenofurans and Indenopyridines via Annulation of Heterocyclic Ketene Aminals, o-Phthalaldehyde and cyclic 1.3-diketones","RSC Adv.","2016","","","","","10.1039/C5RA23393C","","","0.71073","MoKα","","0.0526","0.0467","","","0.1205","0.1244","","","","","","1.068","","","","has coordinates","175410","2020-10-21","18:00:00",""
"7224097","9.2714","0.0009","20.4113","0.0019","9.4269","0.0009","90","","102.529","0.002","90","","1741.5","0.3","133","2","133","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C19 H23 N3 O6 -","- C19 H23 N3 O6 -","- C76 H92 N12 O24 -","4","1","","Shao, Xusheng; Sun, Feilong; Li, Z.","Access of Indenofurans and Indenopyridines via Annulation of Heterocyclic Ketene Aminals, o-Phthalaldehyde and cyclic 1.3-diketones","RSC Adv.","2016","","","","","10.1039/C5RA23393C","","","0.71073","MoKα","","0.0549","0.0455","","","0.1118","0.118","","","","","","1.03","","","","has coordinates","175410","2020-10-21","18:00:00",""
"7224098","11.2751","0.0019","9.9438","0.0019","21.032","0.004","90","","97.306","0.017","90","","2338.9","0.7","150","","150","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C32 H23 N O2 -","- C32 H23 N O2 -","- C128 H92 N4 O8 -","4","1","","Sahoo, Priya Ranjan; Kumar, Satish","Synthesis of an optically switchable salicylaldimine substituted naphthopyran for selective and reversible Cu2+ recognition in aqueous solution","RSC Adv.","2016","","","","","10.1039/C5RA24857D","","","0.71073","MoKα","","0.1522","0.0889","","","0.1732","0.2178","","","","","","1.002","","","","has coordinates","175411","2020-10-21","18:00:00",""
"7224099","7.7047","0.0005","7.7334","0.0005","16.8738","0.0008","96.643","0.005","98.87","0.004","103.083","0.006","955.67","0.1","200","1","200","1","","","","","","","","5","P -1","-P 1","2","","","","- C20 H21 N O4 S -","- C20 H21 N O4 S -","- C40 H42 N2 O8 S2 -","2","1","","Espinosa, Miguel; García Ortiz, Andrea; Blay, Gonzalo; Cardona, Luz; Muñoz, Carmen; Pedro, Jose R.","E,Z-Stereodivergent Synthesis of N-Tosyl α,β-Dehydroamino Esters via a Mukaiyama-Michael Addition","RSC Adv.","2016","","","","","10.1039/C5RA27354D","","","0.71069","MoKα","","0.0842","0.0512","","","0.1467","0.1935","","","","","","0.763","","","","has coordinates","175413","2020-10-21","18:00:00",""
"7224100","10.147","0.0002","18.659","0.0003","14.83","0.0002","90","","125.439","0.001","90","","2287.61","0.07","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C23 H27 N O6 S -","- C23 H27 N O6 S -","- C92 H108 N4 O24 S4 -","4","1","","Espinosa, Miguel; García Ortiz, Andrea; Blay, Gonzalo; Cardona, Luz; Muñoz, Carmen; Pedro, Jose R.","E,Z-Stereodivergent Synthesis of N-Tosyl α,β-Dehydroamino Esters via a Mukaiyama-Michael Addition","RSC Adv.","2016","","","","","10.1039/C5RA27354D","","","0.71073","MoKα","","0.0598","0.0466","","","0.1282","0.1572","","","","","","0.907","","","","has coordinates","175413","2020-10-21","18:00:00",""
"7224101","13.6094","0.0004","20.4337","0.0005","17.9312","0.0006","90","","108.986","0.004","90","","4715.2","0.3","180","2","180","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","tris-(1,1,1,2,2,3,3-heptafluoro-7,7-dimethyl-4,6-octadionato-O,O')-(2,2'-bipyridine-N,N')-Dysprosium(III)","","- C40 H38 Dy F21 N2 O6 -","- C40 H38 Dy F21 N2 O6 -","- C160 H152 Dy4 F84 N8 O24 -","4","1","","Gao, Chen; Yang, Qian; Wang, Bing-Wu; Wang, Zhe-Ming; Gao, Song","Evaporable lanthanide single-ion magnet","CrystEngComm","2016","18","22","4165","","10.1039/C5CE02571K","","","0.71073","MoKα","","0.0581","0.0443","","","0.1105","0.122","","","","","","1.059","","","","has coordinates","185169","2020-10-21","18:00:00",""
"7224102","14.0899","0.0003","19.8329","0.0003","17.4263","0.0003","90","","102.091","0.002","90","","4761.64","0.15","119.96","0.11","119.96","0.11","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","tris-(1,1,1,2,2,3,3-heptafluoro-7,7-dimethyl-4,6-octadionato-O,O')-(1,10-phenanthroline-N,N')-Dysprosium(III)","","- C42 H38 Dy F21 N2 O6 -","- C42 H38 Dy F21 N2 O6 -","- C168 H152 Dy4 F84 N8 O24 -","4","1","","Gao, Chen; Yang, Qian; Wang, Bing-Wu; Wang, Zhe-Ming; Gao, Song","Evaporable lanthanide single-ion magnet","CrystEngComm","2016","18","22","4165","","10.1039/C5CE02571K","","","0.71073","MoKα","","0.0945","0.0678","","","0.1776","0.2076","","","","","","1.053","","","","has coordinates","185169","2020-10-21","18:00:00",""
"7224103","20.892","0.01","24.47","0.011","25.238","0.011","90","","90","","90","","12902","10","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C32 H12 Br4 O16 Zn3 -","- C32 H12 Br4 O16 Zn3 -","- C256 H96 Br32 O128 Zn24 -","8","1","","Ma, De-Yun; Qin, Liang; Lei, Jia-Mei; Liang, Yun-Qiu; Lin, Wei-Jie; Yan, Jing-Jing; Ding, Wan-Qiu; Guo, Hai-Fu; Ling, Yun","Structural diversity of a series of coordination polymers built from 5-substituted isophthalic acid with or without a methyl-functionalized N-donor ligand","CrystEngComm","2016","18","8","1363","","10.1039/C5CE02314A","","","0.71073","MoKα","","0.126","0.0803","","","0.2071","0.2324","","","","","","0.958","","","","has coordinates","177757","2020-10-21","18:00:00",""
"7224104","14.0217","0.0002","31.3444","0.0005","27.9952","0.0004","90","","90","","90","","12303.9","0.3","223","2","223","2","","","","","","","","6","C 2 2 21","C 2c 2","20","","","","- C28 H18 Br2 N2 O8 Zn2 -","- C28 H18 Br2 N2 O8 Zn2 -","- C448 H288 Br32 N32 O128 Zn32 -","16","2","","Ma, De-Yun; Qin, Liang; Lei, Jia-Mei; Liang, Yun-Qiu; Lin, Wei-Jie; Yan, Jing-Jing; Ding, Wan-Qiu; Guo, Hai-Fu; Ling, Yun","Structural diversity of a series of coordination polymers built from 5-substituted isophthalic acid with or without a methyl-functionalized N-donor ligand","CrystEngComm","2016","18","8","1363","","10.1039/C5CE02314A","","","1.54184","CuKα","","0.1382","0.1373","","","0.3158","0.3162","","","","","","1.137","","","","has coordinates,has disorder","177757","2020-10-21","18:00:00",""
"7224105","12.882","0.005","14.292","0.006","16.936","0.008","110.255","0.009","99.167","0.011","106.39","0.009","2690","2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C64 H24 N8 O62 Zn13 -","- C64 H24 N8 O62 Zn13 -","- C64 H24 N8 O62 Zn13 -","1","0.5","","Ma, De-Yun; Qin, Liang; Lei, Jia-Mei; Liang, Yun-Qiu; Lin, Wei-Jie; Yan, Jing-Jing; Ding, Wan-Qiu; Guo, Hai-Fu; Ling, Yun","Structural diversity of a series of coordination polymers built from 5-substituted isophthalic acid with or without a methyl-functionalized N-donor ligand","CrystEngComm","2016","18","8","1363","","10.1039/C5CE02314A","","","0.71073","MoKα","","0.2034","0.1636","","","0.4142","0.4428","","","","","","1.47","","","","has coordinates","177757","2020-10-21","18:00:00",""
"7224106","12.5013","0.0005","14.5412","0.0005","8.2241","0.0003","90","","104.849","0.0009","90","","1445.08","0.09","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H22 N4 O14 Zn2 -","- C28 H22 N4 O14 Zn2 -","- C56 H44 N8 O28 Zn4 -","2","0.5","","Ma, De-Yun; Qin, Liang; Lei, Jia-Mei; Liang, Yun-Qiu; Lin, Wei-Jie; Yan, Jing-Jing; Ding, Wan-Qiu; Guo, Hai-Fu; Ling, Yun","Structural diversity of a series of coordination polymers built from 5-substituted isophthalic acid with or without a methyl-functionalized N-donor ligand","CrystEngComm","2016","18","8","1363","","10.1039/C5CE02314A","","","0.71073","MoKα","","0.0242","0.022","","","0.0629","0.0641","","","","","","1.017","","","","has coordinates","177757","2020-10-21","18:00:00",""
"7224107","8.5151","0.0006","10.0658","0.0007","11.9929","0.0008","67.113","0.002","88.027","0.002","76.771","0.002","920.16","0.11","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H16 Cd N3 O8 -","- C16 H16 Cd N3 O8 -","- C32 H32 Cd2 N6 O16 -","2","1","","Ma, De-Yun; Qin, Liang; Lei, Jia-Mei; Liang, Yun-Qiu; Lin, Wei-Jie; Yan, Jing-Jing; Ding, Wan-Qiu; Guo, Hai-Fu; Ling, Yun","Structural diversity of a series of coordination polymers built from 5-substituted isophthalic acid with or without a methyl-functionalized N-donor ligand","CrystEngComm","2016","18","8","1363","","10.1039/C5CE02314A","","","0.71073","MoKα","","0.0276","0.0257","","","0.0638","0.0651","","","","","","1.06","","","","has coordinates","177757","2020-10-21","18:00:00",""
"7224108","9.946","0.004","9.946","0.004","31.544","0.013","90","","90","","90","","3120","2","293","2","293","2","","","","","","","","5","I 41 2 2","I 4bw 2bw","98","","","","- C15 H11 N O4 Zn -","- C15 H11 N O4 Zn -","- C120 H88 N8 O32 Zn8 -","8","0.5","","Ma, De-Yun; Qin, Liang; Lei, Jia-Mei; Liang, Yun-Qiu; Lin, Wei-Jie; Yan, Jing-Jing; Ding, Wan-Qiu; Guo, Hai-Fu; Ling, Yun","Structural diversity of a series of coordination polymers built from 5-substituted isophthalic acid with or without a methyl-functionalized N-donor ligand","CrystEngComm","2016","18","8","1363","","10.1039/C5CE02314A","","","0.71073","MoKα","","0.0359","0.0282","","","0.0631","0.0678","","","","","","1.07","","","","has coordinates,has disorder","177757","2020-10-21","18:00:00",""
"7224109","9.919","0.006","16.851","0.01","10.145","0.006","90","","93.18","0.011","90","","1693.1","1.7","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C28 H36 N4 O12 Zn2 -","- C28 H36 N4 O12 Zn2 -","- C56 H72 N8 O24 Zn4 -","2","1","","Ma, De-Yun; Qin, Liang; Lei, Jia-Mei; Liang, Yun-Qiu; Lin, Wei-Jie; Yan, Jing-Jing; Ding, Wan-Qiu; Guo, Hai-Fu; Ling, Yun","Structural diversity of a series of coordination polymers built from 5-substituted isophthalic acid with or without a methyl-functionalized N-donor ligand","CrystEngComm","2016","18","8","1363","","10.1039/C5CE02314A","","","0.71073","MoKα","","0.1087","0.0651","","","0.1509","0.1771","","","","","","0.977","","","","has coordinates,has disorder","177757","2020-10-21","18:00:00",""
"7224110","20.941","0.004","8.9021","0.0018","15.065","0.003","90","","117.91","0.03","90","","2481.7","1.1","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C28 H22 N2 O8 Zn -","- C28 H22 N2 O8 Zn -","- C112 H88 N8 O32 Zn4 -","4","0.5","","Ma, De-Yun; Qin, Liang; Lei, Jia-Mei; Liang, Yun-Qiu; Lin, Wei-Jie; Yan, Jing-Jing; Ding, Wan-Qiu; Guo, Hai-Fu; Ling, Yun","Structural diversity of a series of coordination polymers built from 5-substituted isophthalic acid with or without a methyl-functionalized N-donor ligand","CrystEngComm","2016","18","8","1363","","10.1039/C5CE02314A","","","0.71073","MoKα","","0.0447","0.0402","","","0.1043","0.1081","","","","","","1.063","","","","has coordinates","177757","2020-10-21","18:00:00",""
"7224111","8.2249","0.0016","9.8672","0.0019","11.221","0.002","68.441","0.003","68.947","0.004","66.741","0.003","753.3","0.2","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C15 H14 N O5 Zn -","- C15 H14 N O5 Zn -","- C30 H28 N2 O10 Zn2 -","2","1","","Ma, De-Yun; Qin, Liang; Lei, Jia-Mei; Liang, Yun-Qiu; Lin, Wei-Jie; Yan, Jing-Jing; Ding, Wan-Qiu; Guo, Hai-Fu; Ling, Yun","Structural diversity of a series of coordination polymers built from 5-substituted isophthalic acid with or without a methyl-functionalized N-donor ligand","CrystEngComm","2016","18","8","1363","","10.1039/C5CE02314A","","","0.71073","MoKα","","0.0616","0.0536","","","0.1546","0.1654","","","","","","1.09","","","","has coordinates","177757","2020-10-21","18:00:00",""
"7224112","11.2042","0.0013","14.7102","0.0017","9.5638","0.0011","90","","90","","90","","1576.3","0.3","296","2","296","2","","","","","","","","8","P n n m","-P 2 2n","58","","","","- C8 H37 Cu4 N8 Na0 Nb3 O22 W3 -","- C8 H32 Cu4 N8 Nb3 O21 W3 -","- C16 H64 Cu8 N16 Nb6 O42 W6 -","2","0.25","","Jin, Lu; Li, Xin-Xiong; Zhao, Dan; Li, Hao-Hong; Zheng, Shou-Tian","A rare polyniobotungstate-based framework and its structural transformation in a single-crystal-to-single-crystal process induced by iodide ions","CrystEngComm","2016","18","10","1705","","10.1039/C5CE02443A","","","0.71073","MoKα","","0.0537","0.0506","","","0.1317","0.1525","","","","","","1.357","","","","has coordinates","177750","2020-10-21","18:00:00",""
"7224113","7.5292","0.0005","5.7936","0.0003","13.9668","0.0009","90","","93.766","0.004","90","","607.93","0.06","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C14 H14 N2 O2 -","- C14 H14 N2 O2 -","- C28 H28 N4 O4 -","2","1","","Chaudhary, Priyanka; Gupta, Surabhi; Muniyappan, Nalluchamy; Sabiah, Shahulhameed; Kandasamy, Jeyakumar","An efficient synthesis of N-nitrosamines under solvent, metal and acid free conditions using tert-butyl nitrite","Green Chem.","2016","18","8","2323","","10.1039/C5GC02880A","","","0.71073","MoKα","","0.0381","0.0299","","","0.0652","0.0712","","","","","","1.046","","","","has coordinates","182762","2020-10-21","18:00:00",""
"7224114","9.4323","0.0019","9.962","0.002","18.769","0.004","83.37","0.03","81.36","0.03","79","0.03","1704.7","0.6","293","2","293","2","","","","","","","","3","P -1","-P 1","2","PyTPEI","9-phenyl-10-(4-(1,2,2-triphenylvinyl)phenyl)-9H-pyreno[4,5-d]imidazole","","- C49 H32 N2 -","- C49 H32 N2 -","- C98 H64 N4 -","2","1","","Liu, Yulong; Bai, Qing; Li, Jinyu; Zhang, Shitong; Zhang, Chen; Lu, Fang; Yang, Bing; Lu, Ping","Efficient Pyrene-Imidazole Derivatives for Organic Light-emitting Diodes","RSC Adv.","2016","","","","","10.1039/C5RA25424H","","","0.71073","MoKα","","0.1069","0.0599","","","0.1792","0.2051","","","","","","1.093","","","","has coordinates","175458","2020-10-21","18:00:00",""
"7224115","9.2333","0.0002","9.5588","0.0003","20.9349","0.0005","98.156","0.002","102.649","0.002","96.981","0.002","1762.2","0.08","293","2","293","2","","","","","","","","6","P -1","-P 1","2","(2,2'-bipyridine)-bis(flumequinato)-cobalt(II)-dihydrate","(2,2'-bipyridine)-bis(7-fluoro-12-methyl-4-oxo-1-azatricyclo[7.3.1.05,13]trideca-2,5,7,9(13)-tetraene-3-carboxylato)-cobalt(II)-dihydrate","","- C38 H34 Co F2 N4 O8 -","- C38 H34 Co F2 N4 O8 -","- C76 H68 Co2 F4 N8 O16 -","2","1","","Tsitsa, Ifigenia; Tarushi, Alketa; Doukoume, Panagiota; Perdih, Franc; de Almeida, Andreia; Papadopoulos, Athanasios; Kalogiannis, Stavros; Casini, Angela; Turel, Iztok; Psomas, George L.","Structure and biological perspectives of metal complexes of flumequine","RSC Adv.","2016","","","","","10.1039/C5RA25776J","","","0.71069","MoKα","","0.059","0.0414","","","0.1064","0.1169","","","","","","1.005","","","","has coordinates,has disorder","175459","2020-10-21","18:00:00",""
"7224116","11.4479","0.0004","10.027","0.0003","18.5359","0.0007","90","","114.92","0.003","90","","1929.61","0.12","293","2","293","2","","","","","","","","6","P 1 2/c 1","-P 2yc","13","(1,10-phenanthroline)-bis(flumequinato)-cobalt(II)‒methanol‒water(1/1.6/0.4)","(1,10-phenanthroline)-bis(7-fluoro-12-methyl-4-oxo-1-azatricyclo[7.3.1.05,13]trideca-2,5,7,9(13)-tetraene-3-carboxylato)-cobalt(II)‒methanol‒water(1/1.6/0.4)","","- C41.6 H37.2 Co F2 N4 O8 -","- C41.6 H36.4 Co F2 N4 O8 -","- C83.2 H72.8 Co2 F4 N8 O16 -","2","0.5","","Tsitsa, Ifigenia; Tarushi, Alketa; Doukoume, Panagiota; Perdih, Franc; de Almeida, Andreia; Papadopoulos, Athanasios; Kalogiannis, Stavros; Casini, Angela; Turel, Iztok; Psomas, George L.","Structure and biological perspectives of metal complexes of flumequine","RSC Adv.","2016","","","","","10.1039/C5RA25776J","","","0.71073","MoKα","","0.0754","0.0612","","","0.1766","0.1887","","","","","","1.058","","","","has coordinates,has disorder","175459","2020-10-21","18:00:00",""
"7224117","11.5948","0.001","24.2372","0.0015","12.5448","0.0009","90","","101.391","0.008","90","","3456","0.5","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","(di(2-pyridyl)amine-N,N')-bis(flumequinato-O,O')-cobalt(II)‒hydrate","(di(2-pyridyl)amine-N,N')-bis(7-fluoro-12-methyl-4-oxo-1-azatricyclo[7.3.1.05,13]trideca-2,5,7,9(13)-tetraene-3-carboxylato-O,O')-cobalt(II)‒hydrate","","- C38 H33 Co F2 N5 O7 -","- C38 H31 Co F2 N5 O7 -","- C152 H124 Co4 F8 N20 O28 -","4","1","","Tsitsa, Ifigenia; Tarushi, Alketa; Doukoume, Panagiota; Perdih, Franc; de Almeida, Andreia; Papadopoulos, Athanasios; Kalogiannis, Stavros; Casini, Angela; Turel, Iztok; Psomas, George L.","Structure and biological perspectives of metal complexes of flumequine","RSC Adv.","2016","","","","","10.1039/C5RA25776J","","","0.71073","MoKα","","0.1013","0.0655","","","0.1676","0.1914","","","","","","1.035","","","","has coordinates,has disorder","175459","2020-10-21","18:00:00",""
"7224118","16.7284","0.0003","20.8912","0.0005","28.9741","0.0006","90","","90","","90","","10125.8","0.4","298","2","298","","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C42 H22 N6 O10 Zn2 -","- C42 H22 N6 O10 Zn2 -","- C336 H176 N48 O80 Zn16 -","8","1","","Wang, Wen; Xiao, Zhenyu; Lin, Huan; Wang, Rongming; Zhang, Liangliang; Sun, Daofeng","Synthesis, structure, and properties of a 3D porous Zn(II) MOF constructed from a terpyridine-based ligand","RSC Adv.","2016","","","","","10.1039/C5RA27368D","","","0.71","MoKα","","0.0911","0.0752","","","0.2317","0.2486","","","","","","1.072","","","","has coordinates","175460","2020-10-21","18:00:00",""
"7224119","8.174","0.008","14.54","0.013","13.759","0.013","90","","92.568","0.012","90","","1634","3","110","2","110","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C15 H23 B F3 O2 P -","- C15 H23 B F3 O2 P -","- C60 H92 B4 F12 O8 P4 -","4","1","","Gabbai, F. P.; Chansaenpak, Kantapat; Wang, Mengzhe; Liu, shuanglong; Wu, Zhanhong; Yuan, Hong; Conti, Peter; Li, Zibo","Synthesis and in vivo stability studies of [18F]-zwitterionic phosphonium aryltrifluoroborate/indomethacin conjugates","RSC Adv.","2016","","","","","10.1039/C5RA26323A","","","0.71073","MoKα","","0.0815","0.0483","","","0.1087","0.1228","","","","","","1.046","","","","has coordinates","175461","2020-10-21","18:00:00",""
"7224120","24.5154","0.0014","24.5154","0.0014","76.118","0.004","90","","90","","90","","45747","4","100","2","100","2","","","","","","","","5","I 41","I 4bw","80","","","","- C108 H150 Ag6 N30 O21 -","- C108 H144 Ag6 N30 O21 -","- C1728 H2304 Ag96 N480 O336 -","16","2","","Abu-Youssef, M. A. M.; Soliman, S. M.; Sharaf, M. M.; Albering, J. H.; Öhrström, L.","Topology analysis reveals supramolecular organisation of 96 large complex ions into one geometrical object","CrystEngComm","2016","18","11","1883","","10.1039/C5CE02490K","","","0.71073","MoKα","","0.0487","0.0357","","","0.0693","0.0739","","","","","","1.019","","","","has coordinates,has disorder","181605","2020-10-21","18:00:00",""
"7224121","10.4951","0.0007","8.104","0.0005","18.3689","0.0011","90","","90","","90","","1562.32","0.17","100","2","100","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","4-Pyrrolidine-1-yl-pyridine","","","- C9 H12 N2 -","- C9 H12 N2 -","- C72 H96 N16 -","8","1","","Abu-Youssef, M. A. M.; Soliman, S. M.; Sharaf, M. M.; Albering, J. H.; Öhrström, L.","Topology analysis reveals supramolecular organisation of 96 large complex ions into one geometrical object","CrystEngComm","2016","18","11","1883","","10.1039/C5CE02490K","","","0.71073","MoKα","","0.0439","0.0369","","","0.093","0.1006","","","","","","1.07","","","","has coordinates","181605","2020-10-21","18:00:00",""
"7224122","11.3787","0.001","8.1171","0.0007","21.41","0.002","90","","95.969","0.006","90","","1966.8","0.3","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C18 H24 Ag Cl N4 O4 -","- C18 H24 Ag Cl N4 O4 -","- C72 H96 Ag4 Cl4 N16 O16 -","4","1","","Abu-Youssef, M. A. M.; Soliman, S. M.; Sharaf, M. M.; Albering, J. H.; Öhrström, L.","Topology analysis reveals supramolecular organisation of 96 large complex ions into one geometrical object","CrystEngComm","2016","18","11","1883","","10.1039/C5CE02490K","","","0.71073","MoKα","","0.092","0.0488","","","0.1061","0.1252","","","","","","1.017","","","","has coordinates","181605","2020-10-21","18:00:00",""
"7224123","14.582","0.002","22.199","0.003","11.3662","0.0016","90","","90","","90","","3679.3","0.9","296","2","296","2","","","","","","","","6","P n m a","-P 2ac 2n","62","C32H33B2CoF8N11","","","- C32 H33 B2 Co F8 N11 -","- C32 H33 B2 Co F8 N11 -","- C128 H132 B8 Co4 F32 N44 -","4","0.5","","Shao, Dong; Shi, Le; Zhang, Shao-Liang; Zhao, Xin-Hua; Wu, Dong-Qing; Wei, Xiao-Qin; Wang, Xin-Yi","Syntheses, structures, and magnetic properties of three new chain compounds based on a pentagonal bipyramidal Co(ii) building block","CrystEngComm","2016","18","22","4150","","10.1039/C5CE02594J","","","0.71073","MoKα","","0.0668","0.0579","","","0.1688","0.1779","","","","","","1.058","","","","has coordinates","185166","2020-10-21","18:00:00",""
"7224124","13.8571","0.0007","16.6586","0.0008","19.6933","0.0009","68.138","0.001","88.062","0.002","88.016","0.002","4215.5","0.4","123","2","123","2","","","","","","","","6","P -1","-P 1","2","C41H41.99B2CoF8N12","","","- C41 H41.99 B2 Co F8 N12 -","- C40.9975 H41.995 B2 Co F8 N12 -","- C163.99 H167.98 B8 Co4 F32 N48 -","4","2","","Shao, Dong; Shi, Le; Zhang, Shao-Liang; Zhao, Xin-Hua; Wu, Dong-Qing; Wei, Xiao-Qin; Wang, Xin-Yi","Syntheses, structures, and magnetic properties of three new chain compounds based on a pentagonal bipyramidal Co(ii) building block","CrystEngComm","2016","18","22","4150","","10.1039/C5CE02594J","","","0.71073","MoKα","","0.1144","0.0757","","","0.1654","0.1812","","","","","","1.08","","","","has coordinates","185166","2020-10-21","18:00:00",""
"7224125","9.7431","0.0011","12.2307","0.0014","14.5005","0.0017","95.953","0.002","107.564","0.002","99.913","0.002","1600.4","0.3","123","2","123","2","","","","","","","","7","P -1","-P 1","2","C29H30B2CoF8N10O","","","- C29 H30 B2 Co F8 N10 O -","- C29 H30 B2 Co F8 N10 O -","- C58 H60 B4 Co2 F16 N20 O2 -","2","1","","Shao, Dong; Shi, Le; Zhang, Shao-Liang; Zhao, Xin-Hua; Wu, Dong-Qing; Wei, Xiao-Qin; Wang, Xin-Yi","Syntheses, structures, and magnetic properties of three new chain compounds based on a pentagonal bipyramidal Co(ii) building block","CrystEngComm","2016","18","22","4150","","10.1039/C5CE02594J","","","0.71073","MoKα","","0.0763","0.0502","","","0.1281","0.149","","","","","","1.025","","","","has coordinates,has disorder","185166","2020-10-21","18:00:00",""
"7224126","9.415","0.005","10.117","0.005","14.657","0.005","85.815","0.005","74.704","0.005","70.067","0.005","1265.7","1","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C27 H20 N2 O6 Zn -","- C27 H20 N2 O6 Zn -","- C54 H40 N4 O12 Zn2 -","2","1","","Pal, Sanchari; Pal, Tapan K.; Bharadwaj, Parimal K.","Solvothermal synthesis of coordination polymers at different temperatures and their luminescence studies","CrystEngComm","2016","18","10","1825","","10.1039/C5CE02540K","","","0.71073","MoKα","","0.0629","0.0505","","","0.1169","0.1315","","","","","","1.073","","","","has coordinates","177747","2020-10-21","18:00:00",""
"7224127","11.106","0.005","15.856","0.005","17.853","0.005","82.222","0.005","88.158","0.005","88.201","0.005","3112.2","1.9","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C27 H20 N2 O6 Zn -","- C27 H20 N2 O6 Zn -","- C108 H80 N8 O24 Zn4 -","4","2","","Pal, Sanchari; Pal, Tapan K.; Bharadwaj, Parimal K.","Solvothermal synthesis of coordination polymers at different temperatures and their luminescence studies","CrystEngComm","2016","18","10","1825","","10.1039/C5CE02540K","","","0.71073","MoKα","","0.0743","0.0601","","","0.1561","0.1613","","","","","","1.048","","","","has coordinates","177747","2020-10-21","18:00:00",""
"7224128","10.972","0.005","16.101","0.005","37.978","0.005","90","","90","","90","","6709","4","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C35 H33 N5 O7 Zn -","- C35 H33 N5 O7 Zn -","- C280 H264 N40 O56 Zn8 -","8","1","","Pal, Sanchari; Pal, Tapan K.; Bharadwaj, Parimal K.","Solvothermal synthesis of coordination polymers at different temperatures and their luminescence studies","CrystEngComm","2016","18","10","1825","","10.1039/C5CE02540K","","","0.71073","MoKα","","0.121","0.0729","","","0.1775","0.216","","","","","","1.014","","","","has coordinates","177747","2020-10-21","18:00:00",""
"7224129","9.502","0.005","11.646","0.005","13.277","0.005","84.836","0.005","73.449","0.005","84.18","0.005","1398.2","1.1","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H29 Cd N3 O8 -","- C30 H29 Cd N3 O8 -","- C60 H58 Cd2 N6 O16 -","2","1","","Pal, Sanchari; Pal, Tapan K.; Bharadwaj, Parimal K.","Solvothermal synthesis of coordination polymers at different temperatures and their luminescence studies","CrystEngComm","2016","18","10","1825","","10.1039/C5CE02540K","","","0.71073","MoKα","","0.0434","0.0385","","","0.0948","0.1016","","","","","","1.078","","","","has coordinates","177747","2020-10-21","18:00:00",""
"7224130","9.5536","0.0011","28.335","0.004","10.1074","0.0012","90","","107.415","0.003","90","","2610.7","0.6","100","2","100","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C27 H20 Co N2 O6 -","- C27 H20 Co N2 O6 -","- C108 H80 Co4 N8 O24 -","4","0.5","","Pal, Sanchari; Pal, Tapan K.; Bharadwaj, Parimal K.","Solvothermal synthesis of coordination polymers at different temperatures and their luminescence studies","CrystEngComm","2016","18","10","1825","","10.1039/C5CE02540K","","","0.71073","MoKα","","0.0539","0.05","","","0.1346","0.1377","","","","","","1.051","","","","has coordinates","177747","2020-10-21","18:00:00",""
"7224131","13.1143","0.0006","18.2637","0.0008","18.1148","0.0009","90","","91.971","0.001","90","","4336.2","0.3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C66 H54 Co3 N8 O18 -","- C66 H54 Co3 N8 O18 -","- C132 H108 Co6 N16 O36 -","2","0.5","","Pal, Sanchari; Pal, Tapan K.; Bharadwaj, Parimal K.","Solvothermal synthesis of coordination polymers at different temperatures and their luminescence studies","CrystEngComm","2016","18","10","1825","","10.1039/C5CE02540K","","","0.71073","MoKα","","0.0908","0.0579","","","0.1423","0.1528","","","","","","1.005","","","","has coordinates","177747","2020-10-21","18:00:00",""
"7224132","14.1458","0.0004","7.2193","0.0002","17.4712","0.0004","90","","98.5591","0.0013","90","","1764.34","0.08","150","","150","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","3phenyl diacid","2',5'-dihexyl-[1,1':4',1''-terphenyl]-4,4''-dicarboxylic acid","","- C36 H50 O6 S2 -","- C36 H50 O6 S2 -","- C72 H100 O12 S4 -","2","0.5","","Bowen, Alice M.; Jones, Michael W.; Lovett, Janet E.; Gaule, Thembanikosi G.; McPherson, Michael J.; Dilworth, Jonathan R.; Timmel, Christiane R.; Harmer, Jeffrey R.","Exploiting orientation-selective DEER: determining molecular structure in systems containing Cu(ii) centres.","Physical chemistry chemical physics : PCCP","2016","18","8","5981","5994","10.1039/c5cp06096f","","","0.71073","MoKα","","0.0746","0.0478","","0.1267","0.1143","0.1099","","","","","","1.0027","","","","has coordinates","177936","2020-10-21","18:00:00",""
"7224133","7.1596","0.0004","13.3572","0.0007","13.0999","0.0006","90","","98.358","0.004","90","","1239.47","0.11","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C16 H9 N O3 -","- C16 H9 N O3 -","- C64 H36 N4 O12 -","4","1","","Belal, Md; Khan, Abu Taleb","Synthesis of fused oxazole containing coumarin derivatives via oxidative cross coupling reaction using a combination of CuCl2 and TBHP","RSC Adv.","2016","","","","","10.1039/C5RA27993C","","","0.71073","MoKα","","0.1093","0.0501","","","0.1013","0.1238","","","","","","0.976","","","","has coordinates","175826","2020-10-21","18:00:00",""
"7224134","4.6985","0.0004","16.2304","0.0013","19.7042","0.0015","90","","90","","90","","1502.6","0.2","294","2","294","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C20 H12 N2 O S -","- C20 H12 N2 O S -","- C80 H48 N8 O4 S4 -","4","1","","Goswami, Shyamaprosad; Das, Avijit Kumar; Quah, Ching Kheng; Fun, Hoong Kun","Relay recognition of F¯ and a Nerve-agent Mimic diethyl cyano- phosphonate in mixed aqueous media: Discrimination of diethyl cyanophosphonate and diethyl chlorophosphate by cyclization induced fluorescence enhancement","RSC Adv.","2016","","","","","10.1039/C5RA24392K","","","0.71073","MoKα","","0.041","0.0335","","","0.0781","0.0835","","","","","","1.026","","","","has coordinates","175827","2020-10-21","18:00:00",""
"7224135","21.2784","0.0009","12.6709","0.0005","36.8622","0.0015","90","","105.143","0.001","90","","9593.6","0.7","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C43 H68 N4 O P Si4 Y -","- C43 H68 N4 O P Si4 Y -","- C344 H544 N32 O8 P8 Si32 Y8 -","8","1","","Trifonov, Alexander; Tolpygin, Aleksei; Linnikova, , Olesya; Glukhova, Tatyana; Cherkasov, Anton; Fukin, Georgii K.","Bis(amido) Rare-earth Complexes Coordinated by Tridentate Amidinate Ligand: Synthesis, Structure and Catalytic Activity in Polymerization of Isoprene and rac-Lactide","RSC Adv.","2016","","","","","10.1039/C5RA27960G","","","0.71073","MoKα","","0.0604","0.0394","","","0.0857","0.0911","","","","","","1.043","","","","has coordinates","175828","2020-10-21","18:00:00",""
"7224136","21.4494","0.0002","12.7591","0.0001","37.467","0.0004","90","","108.11","0.001","90","","9745.83","0.17","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C43 H68 N4 Nd O P Si4 -","- C43 H68 N4 Nd O P Si4 -","- C344 H544 N32 Nd8 O8 P8 Si32 -","8","1","","Trifonov, Alexander; Tolpygin, Aleksei; Linnikova, , Olesya; Glukhova, Tatyana; Cherkasov, Anton; Fukin, Georgii K.","Bis(amido) Rare-earth Complexes Coordinated by Tridentate Amidinate Ligand: Synthesis, Structure and Catalytic Activity in Polymerization of Isoprene and rac-Lactide","RSC Adv.","2016","","","","","10.1039/C5RA27960G","","","0.71073","MoKα","","0.0335","0.0287","","","0.0592","0.0606","","","","","","1.123","","","","has coordinates","175828","2020-10-21","18:00:00",""
"7224137","21.519","0.0006","12.7854","0.0003","36.8722","0.001","90","","105.513","0.003","90","","9775","0.5","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C43 H68 La N4 O P Si4 -","- C43 H68 La N4 O P Si4 -","- C344 H544 La8 N32 O8 P8 Si32 -","8","1","","Trifonov, Alexander; Tolpygin, Aleksei; Linnikova, , Olesya; Glukhova, Tatyana; Cherkasov, Anton; Fukin, Georgii K.","Bis(amido) Rare-earth Complexes Coordinated by Tridentate Amidinate Ligand: Synthesis, Structure and Catalytic Activity in Polymerization of Isoprene and rac-Lactide","RSC Adv.","2016","","","","","10.1039/C5RA27960G","","","0.71073","MoKα","","0.0849","0.0531","","","0.0746","0.0811","","","","","","1.024","","","","has coordinates","175828","2020-10-21","18:00:00",""
"7224138","5.331","0.003","15.551","0.009","4.782","0.003","90","","90","","90","","396.4","0.4","296","2","296","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- Al Li3 O5 Si -","- Al Li3 O5 Si -","- Al4 Li12 O20 Si4 -","4","1","","Chen, Xinglong; Zhang, Fangfang; Liu, Lili; Lei, Bing-Hua; Dong, Xiaoyu; Yang, Zhihua; Li, Hongyi; Pan, Shilie","Li3AlSiO5: the first aluminosilicate as a potential deep-ultraviolet nonlinear optical crystal with the quaternary diamond-like structure.","Physical chemistry chemical physics : PCCP","2016","18","6","4362","4369","10.1039/c5cp06884c","","","0.71073","MoKα","","0.0378","0.0287","","","0.0667","0.0725","","","","","","1.031","","","","has coordinates","175855","2020-10-21","18:00:00",""
"7224139","6.97","0.0006","16.1782","0.0014","17.0252","0.0014","90","","97.144","0.001","90","","1904.9","0.3","298","2","298","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C36 H38 Br2 Cl2 Cu2 N6 O4 -","- C36 H38 Br2 Cl2 Cu2 N6 O4 -","- C72 H76 Br4 Cl4 Cu4 N12 O8 -","2","0.5","","You, Zhonglu; Liu, Mingyang; Wang, Cunfang; Sheng, Gui-Hua; Zhao, Xinlu; Qu, Dan; Niu, Fang","Inhibition studies of Helicobacter pylori urease with Schiff base copper(II) complexes","RSC Adv.","2016","","","","","10.1039/C6RA00500D","","","0.71073","MoKα","","0.0369","0.0295","","","0.0727","0.0771","","","","","","1.024","","","","has coordinates","176225","2020-10-21","18:00:00",""
"7224140","6.7015","0.0004","15.2568","0.0009","17.9245","0.0011","90","","94.912","0.002","90","","1825.93","0.19","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C32 H52 Cu N6 O12 -","- C32 H52 Cu N6 O12 -","- C64 H104 Cu2 N12 O24 -","2","0.5","","You, Zhonglu; Liu, Mingyang; Wang, Cunfang; Sheng, Gui-Hua; Zhao, Xinlu; Qu, Dan; Niu, Fang","Inhibition studies of Helicobacter pylori urease with Schiff base copper(II) complexes","RSC Adv.","2016","","","","","10.1039/C6RA00500D","","","0.71073","MoKα","","0.0587","0.0428","","","0.1053","0.1161","","","","","","1.051","","","","has coordinates","176225","2020-10-21","18:00:00",""
"7224141","7.84","0.002","10.704","0.003","13.449","0.002","90","","93.458","0.003","90","","1126.6","0.5","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C22 H24 Cl2 Cu2 N2 O2 -","- C22 H24 Cl2 Cu2 N2 O2 -","- C44 H48 Cl4 Cu4 N4 O4 -","2","0.5","","You, Zhonglu; Liu, Mingyang; Wang, Cunfang; Sheng, Gui-Hua; Zhao, Xinlu; Qu, Dan; Niu, Fang","Inhibition studies of Helicobacter pylori urease with Schiff base copper(II) complexes","RSC Adv.","2016","","","","","10.1039/C6RA00500D","","","0.71073","MoKα","","0.0878","0.0759","","","0.2137","0.2235","","","","","","1.052","","","","has coordinates","176225","2020-10-21","18:00:00",""
"7224142","11.188","0.002","16.085","0.003","10.0808","0.0016","90","","115.675","0.002","90","","1635","0.5","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C30 H44 Cl4 Cu2 N4 O4 -","- C30 H44 Cl4 Cu2 N4 O4 -","- C60 H88 Cl8 Cu4 N8 O8 -","2","0.5","","You, Zhonglu; Liu, Mingyang; Wang, Cunfang; Sheng, Gui-Hua; Zhao, Xinlu; Qu, Dan; Niu, Fang","Inhibition studies of Helicobacter pylori urease with Schiff base copper(II) complexes","RSC Adv.","2016","","","","","10.1039/C6RA00500D","","","0.71073","MoKα","","0.0506","0.0353","","","0.0778","0.0836","","","","","","1.023","","","","has coordinates","176225","2020-10-21","18:00:00",""
"7224143","7.2905","0.0008","9.0921","0.001","11.8121","0.0013","100.605","0.003","98.485","0.003","91.807","0.003","759.79","0.15","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C15 H17 Cl Cu N2 O2 -","- C15 H17 Cl Cu N2 O2 -","- C30 H34 Cl2 Cu2 N4 O4 -","2","1","","You, Zhonglu; Liu, Mingyang; Wang, Cunfang; Sheng, Gui-Hua; Zhao, Xinlu; Qu, Dan; Niu, Fang","Inhibition studies of Helicobacter pylori urease with Schiff base copper(II) complexes","RSC Adv.","2016","","","","","10.1039/C6RA00500D","","","0.71073","MoKα","","0.0478","0.0417","","","0.101","0.1061","","","","","","1.074","","","","has coordinates","176225","2020-10-21","18:00:00",""
"7224144","24.219","0.003","10.2396","0.0013","15.6794","0.0019","90","","107.36","0.002","90","","3711.3","0.8","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C40 H44 Cu2 N4 O4 -","- C40 H44 Cu2 N4 O4 -","- C160 H176 Cu8 N16 O16 -","4","1","","You, Zhonglu; Liu, Mingyang; Wang, Cunfang; Sheng, Gui-Hua; Zhao, Xinlu; Qu, Dan; Niu, Fang","Inhibition studies of Helicobacter pylori urease with Schiff base copper(II) complexes","RSC Adv.","2016","","","","","10.1039/C6RA00500D","","","0.71073","MoKα","","0.0655","0.0355","","","0.0798","0.0933","","","","","","1.006","","","","has coordinates","176225","2020-10-21","18:00:00",""
"7224145","7.7486","0.0008","23.271","0.003","8.115","0.001","90","","94.353","0.011","90","","1459.1","0.3","298","2","298","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C22 H28 Br4 Cl2 Cu N4 O4 -","- C22 H28 Br4 Cl2 Cu N4 O4 -","- C44 H56 Br8 Cl4 Cu2 N8 O8 -","2","0.5","","You, Zhonglu; Liu, Mingyang; Wang, Cunfang; Sheng, Gui-Hua; Zhao, Xinlu; Qu, Dan; Niu, Fang","Inhibition studies of Helicobacter pylori urease with Schiff base copper(II) complexes","RSC Adv.","2016","","","","","10.1039/C6RA00500D","","","0.71073","MoKα","","0.1221","0.0905","","","0.2155","0.2417","","","","","","1.037","","","","has coordinates","176225","2020-10-21","18:00:00",""
"7224146","6.9863","0.0004","15.379","0.0008","13.3498","0.0008","90","","91.874","0.002","90","","1433.57","0.14","298","2","298","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C15 H13 Cu N3 O S -","- C15 H13 Cu N3 O S -","- C60 H52 Cu4 N12 O4 S4 -","4","1","","You, Zhonglu; Liu, Mingyang; Wang, Cunfang; Sheng, Gui-Hua; Zhao, Xinlu; Qu, Dan; Niu, Fang","Inhibition studies of Helicobacter pylori urease with Schiff base copper(II) complexes","RSC Adv.","2016","","","","","10.1039/C6RA00500D","","","0.71073","MoKα","","0.0487","0.0352","","","0.0797","0.086","","","","","","1.1","","","","has coordinates","176225","2020-10-21","18:00:00",""
"7224147","9.2353","0.0008","12.4758","0.0006","11.1404","0.0009","90","","109.349","0.003","90","","1211.07","0.16","298","2","298","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C24 H24 Br2 Cl2 Cu N2 O2 -","- C24 H24 Br2 Cl2 Cu N2 O2 -","- C48 H48 Br4 Cl4 Cu2 N4 O4 -","2","0.5","","You, Zhonglu; Liu, Mingyang; Wang, Cunfang; Sheng, Gui-Hua; Zhao, Xinlu; Qu, Dan; Niu, Fang","Inhibition studies of Helicobacter pylori urease with Schiff base copper(II) complexes","RSC Adv.","2016","","","","","10.1039/C6RA00500D","","","0.71073","MoKα","","0.0536","0.0338","","","0.0733","0.0824","","","","","","1.025","","","","has coordinates","176225","2020-10-21","18:00:00",""
"7224148","7.3303","0.0006","7.9078","0.0006","16.0868","0.0013","84.514","0.002","89.785","0.002","81.048","0.002","916.86","0.13","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","(E)-ethyl 1-(1-(2-(2,4-dinitrophenyl)hydrazono)ethyl)-2-methylcyclopent-2-enecarboxylate","","- C17 H20 N4 O6 -","- C17 H20 N4 O6 -","- C34 H40 N8 O12 -","2","1","","Shi, Xiaodong; Dong, Boliang; Xi, Yumeng; Su, Yijin; Ahkmedov, Novruz G.; Petersen, Jeffrey L.","Gold/Gallium-Catalyzed Annulation of 1,3-Dicarbonyl Com-pounds and Cyclopropylacetylenes for Synthesis of Substi-tuted Cyclopentenes","RSC Adv.","2016","","","","","10.1039/C6RA00896H","","","0.71073","MoKα","","0.112","0.0786","","","0.1752","0.1883","","","","","","1.061","","","","has coordinates","176226","2020-10-21","18:00:00",""
"7224149","13.5576","0.0004","14.0743","0.0004","14.1481","0.0004","115.455","0.001","92.815","0.001","116.993","0.001","2069.58","0.11","200","2","200","2","","","","","","","","8","P -1","-P 1","2","","","","- C70 H68 B4 Co2 F8 Fe2 N34 O6 -","- C70 H68 B4 Co2 F8 Fe2 N34 O6 -","- C70 H68 B4 Co2 F8 Fe2 N34 O6 -","1","0.5","","De, Siddhartha; Jimenez, Juan Ramòn; Li, Yanling; Chamoreau, Lise-Marie; Journaux, Yves; Bousseksou, Azzedine; flambard, alexandrine; Lescouëzec, Rodrigue","One synthesis: two redox states. Temperature-oriented crystallization of a charge transfer {Fe2Co2} square complex in a {FeIILSCoIIILS}2 diamagnetic or {FeIIILSCoIIHS}2 paramagnetic state.","RSC Adv.","2016","","","","","10.1039/C6RA00191B","","","0.71073","MoKα","","0.0406","0.0334","","","0.0874","0.0929","","","","","","1.026","","","","has coordinates","176227","2020-10-21","18:00:00",""
"7224150","15.0458","0.0003","17.5052","0.0004","19.0698","0.0005","85.058","0.001","78.287","0.001","84.843","0.001","4886.2","0.2","200","2","200","2","","","","","","","","8","P -1","-P 1","2","","","","- C69 H79 B4 Co2 F8 Fe2 N34 O12.5 -","- C69 H60 B4 Co2 F8 Fe2 N34 O12.5 -","- C138 H120 B8 Co4 F16 Fe4 N68 O25 -","2","1","","De, Siddhartha; Jimenez, Juan Ramòn; Li, Yanling; Chamoreau, Lise-Marie; Journaux, Yves; Bousseksou, Azzedine; flambard, alexandrine; Lescouëzec, Rodrigue","One synthesis: two redox states. Temperature-oriented crystallization of a charge transfer {Fe2Co2} square complex in a {FeIILSCoIIILS}2 diamagnetic or {FeIIILSCoIIHS}2 paramagnetic state.","RSC Adv.","2016","","","","","10.1039/C6RA00191B","","","0.71073","MoKα","","0.1276","0.0626","","","0.1598","0.1934","","","","","","1.019","","","","has coordinates,has disorder","176227","2020-10-21","18:00:00",""
"7224151","13.423","0.006","14.682","0.006","18.745","0.008","95.031","0.008","107.348","0.007","110.75","0.008","3219","2","200","2","200","","","","","","","","","5","P -1","-P 1","2","","4-(1, 2, 2-triphenylvinyl) aniline","","- C142 H118 Cl18 N6 O4 -","- C142 H118 Cl18 N6 O4 -","- C142 H118 Cl18 N6 O4 -","1","0.5","","Rananaware, Anushri; La, Duong Duc; Leslie Jackson, Sam; Bhosale, Sheshanath V.","Construction of highly efficient near-IR solid emitter based on naphthalene diimide with AIE-active tetraphenylethene periphery","RSC Adv.","2016","","","","","10.1039/C6RA00907G","","","0.71073","MoKα","","0.1916","0.0987","","","0.2503","0.2955","","","","","","0.94","","","","has coordinates,has disorder","176228","2020-10-21","18:00:00",""
"7224152","14.75","0.01","9.887","0.01","8.419","0.007","90","","90","","90","","1227.8","1.8","293","2","293","2","","","","","","","","5","C m c m","-C 2c 2","63","","","","- C5 H13 Cl N6 S2 -","- C5 H13 Cl N6 S2 -","- C20 H52 Cl4 N24 S8 -","4","0.25","","Liu, Yu-Ling; Wang, Yu-Feng; Zhang, Wen","Switchable dielectric constant in an inclusion compound bis(thiourea) imidazolium chloride","CrystEngComm","2016","18","11","1958","","10.1039/C5CE02364E","","","0.71073","MoKα","","0.0585","0.0556","","","0.1348","0.1372","","","","","","1.077","","","","has coordinates","181610","2020-10-21","18:00:00",""
"7224153","14.674","0.009","9.779","0.006","8.412","0.005","90","","90","","90","","1207.1","1.3","123","2","123","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C5 H13 Cl N6 S2 -","- C5 H13 Cl N6 S2 -","- C20 H52 Cl4 N24 S8 -","4","1","","Liu, Yu-Ling; Wang, Yu-Feng; Zhang, Wen","Switchable dielectric constant in an inclusion compound bis(thiourea) imidazolium chloride","CrystEngComm","2016","18","11","1958","","10.1039/C5CE02364E","","","0.71073","MoKα","","0.0393","0.0366","","","0.0806","0.0822","","","","","","1.021","","","","has coordinates","181610","2020-10-21","18:00:00",""
"7224154","14.7","0.013","9.771","0.008","8.414","0.007","90","","90","","90","","1208.5","1.8","143","2","143","2","","","","","","","","5","C 2 2 21","C 2c 2","20","","","","- C5 H13 Cl N6 S2 -","- C5 H13 Cl N6 S2 -","- C20 H52 Cl4 N24 S8 -","4","0.5","","Liu, Yu-Ling; Wang, Yu-Feng; Zhang, Wen","Switchable dielectric constant in an inclusion compound bis(thiourea) imidazolium chloride","CrystEngComm","2016","18","11","1958","","10.1039/C5CE02364E","","","0.71073","MoKα","","0.0386","0.0374","","","0.0885","0.0893","","","","","","1.086","","","","has coordinates","181610","2020-10-21","18:00:00",""
"7224155","7.48","0.0015","23.63","0.005","12.47","0.003","90","","98.05","0.03","90","","2182.4","0.8","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C50 H34 Cu4 N4 O15 -","- C50 H34 Cu4 N4 O15 -","- C100 H68 Cu8 N8 O30 -","2","0.5","","Song, Yang; Fan, Rui-Qing; Wang, Xin-Ming; Gao, Song; Du, Xi; Wang, Ping; Yang, Yu-Lin","Direct observation of a fast single-crystal-to-single-crystal transformation from a CuII-framework to a CuI-chain mediated by ascorbic acid","CrystEngComm","2016","18","11","1878","","10.1039/C6CE00132G","","","0.71073","MoKα","","0.0988","0.0839","","","0.2165","0.2322","","","","","","1.076","","","","has coordinates","181613","2020-10-21","18:00:00",""
"7224156","7.8383","0.0006","9.4782","0.0006","14.9216","0.0013","91.826","0.006","95.897","0.006","103.056","0.006","1072.46","0.14","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C50 H34 Cu2 N4 O14 -","- C50 H34 Cu2 N4 O14 -","- C50 H34 Cu2 N4 O14 -","1","0.5","","Song, Yang; Fan, Rui-Qing; Wang, Xin-Ming; Gao, Song; Du, Xi; Wang, Ping; Yang, Yu-Lin","Direct observation of a fast single-crystal-to-single-crystal transformation from a CuII-framework to a CuI-chain mediated by ascorbic acid","CrystEngComm","2016","18","11","1878","","10.1039/C6CE00132G","","","0.71073","MoKα","","0.0803","0.0504","","","0.1071","0.1221","","","","","","1.007","","","","has coordinates","181613","2020-10-21","18:00:00",""
"7224157","11.598","0.002","19.518","0.004","15.301","0.003","90","","91.47","0.03","90","","3462.5","1.2","153.15","","153.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C56 H100 N4 O21 V6 -","- C56 H100 N4 O21 V6 -","- C112 H200 N8 O42 V12 -","2","0.5","","Bayaguud, Aruuhan; Chen, Kun; Wei, Yongge","Facile synthesis of an organically-derivatized hexavanadate containing the remote amino group, TBA2[V6O13{(OCH2)3CNH2}2]","CrystEngComm","2016","18","22","4042","","10.1039/C5CE02534F","","","0.71073","MoKα","","0.0475","0.0431","","","0.101","0.104","","","","","","1.11","","","","has coordinates,has disorder","185175","2020-10-21","18:00:00",""
"7224158","10.381","0.002","12.311","0.003","9.6175","0.0019","90","","104.2","0.03","90","","1191.6","0.5","296","","296","","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C8 H26 N2 O23 V6 -","- C8 H26 N2 O23 V6 -","- C16 H52 N4 O46 V12 -","2","0.25","","Bayaguud, Aruuhan; Chen, Kun; Wei, Yongge","Facile synthesis of an organically-derivatized hexavanadate containing the remote amino group, TBA2[V6O13{(OCH2)3CNH2}2]","CrystEngComm","2016","18","22","4042","","10.1039/C5CE02534F","","","0.71073","MoKα","","0.0297","0.0281","","","0.0767","0.0776","","","","","","1.128","","","","has coordinates","185175","2020-10-21","18:00:00",""
"7224159","13.1741","0.0013","20.85","0.003","19.578","0.002","90","","102.558","0.006","90","","5249","1.1","123","","123","","","","","","","","Angelo Lanzillotto","5","P 1 21/c 1","-P 2ybc","14","","","","- C68 H47 N7 O Zn -","- C68 H47 N7 O Zn -","- C272 H188 N28 O4 Zn4 -","4","1","","Lanzilotto, Angelo; Büldt, Laura A.; Schmidt, Hauke C.; Prescimone, Alessandro; Wenger, Oliver S.; Constable, Edwin C.; Housecroft, Catherine E.","Improved light absorbance does not lead to better DSC performance: studies on a ruthenium porphyrin‒terpyridine conjugate","RSC Adv.","2016","6","19","15370","","10.1039/C5RA27397H","","","1.54178","CuKα","","0.1059","0.0894","","0.2583","0.2457","0.2583","","","","","","1","","","","has coordinates","176244","2020-10-21","18:00:00",""
"7224160","8.2009","0.0008","8.7089","0.0008","11.279","0.0011","78.414","0.002","83.899","0.003","73.626","0.002","756.08","0.13","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C17 H15 N2 O3 P -","- C17 H15 N2 O3 P -","- C34 H30 N4 O6 P2 -","2","1","","Gholivand, Khodayar; Ebrahimi valmoozi, Ali Asghar; asadi, lida; hodaie, merat; sharifi, mahboobeh; Mazruee Kashani, hadi; Mahzouni, Hamid R.; Ghadamyari, Mohammad; kalateh, Ali Asghar; davari, ehsan; salehi, sami; Bonsaii, Mahyar","Phosphorhydrazides inhibitors: toxicological profile and antimicrobial evaluation assay, molecular modeling and QSAR study","RSC Adv.","2016","","","","","10.1039/C5RA24209F","","","0.71073","MoKα","","0.0527","0.0415","","","0.1073","0.1128","","","","","","0.951","","","","has coordinates","176245","2020-10-21","18:00:00",""
"7224161","9.06","0.0005","9.2136","0.0005","25.37","0.0014","90","","90","","90","","2117.8","0.2","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C5 H14 N3 O3 P S -","- C5 H14 N3 O3 P S -","- C40 H112 N24 O24 P8 S8 -","8","1","","Gholivand, Khodayar; Ebrahimi valmoozi, Ali Asghar; asadi, lida; hodaie, merat; sharifi, mahboobeh; Mazruee Kashani, hadi; Mahzouni, Hamid R.; Ghadamyari, Mohammad; kalateh, Ali Asghar; davari, ehsan; salehi, sami; Bonsaii, Mahyar","Phosphorhydrazides inhibitors: toxicological profile and antimicrobial evaluation assay, molecular modeling and QSAR study","RSC Adv.","2016","","","","","10.1039/C5RA24209F","","","0.71073","MoKα","","0.05","0.0462","","","0.1046","0.1067","","","","","","1.043","","","","has coordinates,has disorder","176245","2020-10-21","18:00:00",""
"7224162","21.5619","0.0007","11.3649","0.0004","18.9777","0.0007","90","","93.367","0.003","90","","4642.4","0.3","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C183 H190 N24 O64 S8 -","- C183 H190 N24 O64 S8 -","- C183 H190 N24 O64 S8 -","1","0.125","","Lega, Dmitry A.; Gorobets, Nikolay Yu.; Chernykh, Valentine P.; Shishkina, Svetlana V.; Shemchuk, Leonid A.","Peculiarities of 2-amino-3-R-4-aryl-4H-pyranes multicomponent synthesis derived from 1H-2,1-benzothiazin-4(3H)-one 2,2-dioxide","RSC Adv.","2016","6","19","16087","","10.1039/C5RA24566D","","","0.71073","MoKα","","0.0609","0.0475","","","0.1305","0.1413","","","","","","1.046","","","","has coordinates,has disorder","176290","2020-10-21","18:00:00",""
"7224163","13.1522","0.0007","23.4963","0.0016","11.0242","0.0005","90","","90","","90","","3406.8","0.3","293","2","293","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C33 H40 N4 O8 S2 -","- C33 H40 N4 O8 S2 -","- C132 H160 N16 O32 S8 -","4","1","","Lega, Dmitry A.; Gorobets, Nikolay Yu.; Chernykh, Valentine P.; Shishkina, Svetlana V.; Shemchuk, Leonid A.","Peculiarities of 2-amino-3-R-4-aryl-4H-pyranes multicomponent synthesis derived from 1H-2,1-benzothiazin-4(3H)-one 2,2-dioxide","RSC Adv.","2016","6","19","16087","","10.1039/C5RA24566D","","","0.71073","MoKα","","0.1489","0.0669","","","0.1583","0.1885","","","","","","0.918","","","","has coordinates","176290","2020-10-21","18:00:00",""
"7224164","15.2726","0.0007","11.581","0.0005","9.1189","0.0004","90","","95.023","0.001","90","","1606.68","0.12","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H17 N3 O5 -","- C16 H17 N3 O5 -","- C64 H68 N12 O20 -","4","1","","Oruganti, Madhavi; Khade, Pavan; Das, Uttam Kumar; Trivedi, Darshak R.","The hierarchies of hydrogen bonds in salts/cocrystals of isoniazid and its Schiff base ‒ a case study","RSC Adv.","2016","6","19","15868","","10.1039/C5RA14951G","","","0.71073","MoKα","","0.0589","0.0415","","","0.1125","0.1425","","","","","","1.117","","","","has coordinates","176291","2020-10-21","18:00:00",""
"7224165","7.6313","0.0007","7.8438","0.0007","17.8835","0.0017","81.836","0.003","88.72","0.003","64.742","0.003","957.45","0.15","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C20 H19 N3 O9 -","- C20 H19 N3 O9 -","- C40 H38 N6 O18 -","2","1","","Oruganti, Madhavi; Khade, Pavan; Das, Uttam Kumar; Trivedi, Darshak R.","The hierarchies of hydrogen bonds in salts/cocrystals of isoniazid and its Schiff base ‒ a case study","RSC Adv.","2016","6","19","15868","","10.1039/C5RA14951G","","","0.71073","MoKα","","0.0587","0.0392","","","0.1034","0.1232","","","","","","0.908","","","","has coordinates","176291","2020-10-21","18:00:00",""
"7224166","8.7707","0.0004","20.4025","0.0009","9.1687","0.0004","90","","100.514","0.001","90","","1613.14","0.12","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H18 N4 O3 -","- C16 H18 N4 O3 -","- C64 H72 N16 O12 -","4","1","","Oruganti, Madhavi; Khade, Pavan; Das, Uttam Kumar; Trivedi, Darshak R.","The hierarchies of hydrogen bonds in salts/cocrystals of isoniazid and its Schiff base ‒ a case study","RSC Adv.","2016","6","19","15868","","10.1039/C5RA14951G","","","0.71073","MoKα","","0.0456","0.0399","","","0.1273","0.1413","","","","","","0.929","","","","has coordinates","176291","2020-10-21","18:00:00",""
"7224167","6.9555","0.0003","9.2797","0.0004","11.0293","0.0005","97.828","0.002","99.815","0.003","100.154","0.002","680.26","0.05","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C14 H2 N3 O5 -","- C14 H13 N3 O5 -","- C28 H26 N6 O10 -","2","1","","Oruganti, Madhavi; Khade, Pavan; Das, Uttam Kumar; Trivedi, Darshak R.","The hierarchies of hydrogen bonds in salts/cocrystals of isoniazid and its Schiff base ‒ a case study","RSC Adv.","2016","6","19","15868","","10.1039/C5RA14951G","","","0.71073","MoKα","","0.0562","0.045","","","0.1393","0.1497","","","","","","1.15","","","","has coordinates","176291","2020-10-21","18:00:00",""
"7224168","25.151","0.003","10.4057","0.0013","30.589","0.005","90","","113.035","0.002","90","","7367.2","1.8","123","2","123","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C67 H56 N11 O35 Zn4 -","- C67 H38 N11 O26 Zn4 -","- C268 H152 N44 O104 Zn16 -","4","0.5","","Chen, Li-Zhuang; Pan, Qi-Jian; Cao, Xing-Xing; Wang, Fang-Ming","Crystal structure, magnetism, and dielectric properties based on the axially chiral ligand 2,2′-dinitro-4,4′-biphenyldicarboxylic acid","CrystEngComm","2016","18","11","1944","","10.1039/C5CE02426A","","","0.71073","MoKα","","0.1346","0.0849","","","0.23","0.256","","","","","","1.035","","","","has coordinates,has disorder","181606","2020-10-21","18:00:00",""
"7224169","21.687","0.003","18.249","0.002","22.474","0.004","90","","118.15","0.002","90","","7842","2","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C72 H50 N12 Ni3 O28 -","- C72 H46 N12 Ni3 O26 -","- C288 H184 N48 Ni12 O104 -","4","0.5","","Chen, Li-Zhuang; Pan, Qi-Jian; Cao, Xing-Xing; Wang, Fang-Ming","Crystal structure, magnetism, and dielectric properties based on the axially chiral ligand 2,2′-dinitro-4,4′-biphenyldicarboxylic acid","CrystEngComm","2016","18","11","1944","","10.1039/C5CE02426A","","","0.71073","MoKα","","0.0912","0.0806","","","0.2122","0.2215","","","","","","1.03","","","","has coordinates,has disorder","181606","2020-10-21","18:00:00",""
"7224170","13.5739","0.0015","19.361","0.002","8.7636","0.0009","90","","96.151","0.001","90","","2289.9","0.4","293","2","293.15","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C24 H14 N4 Ni O8.02 -","- C24 H14 N4 Ni O8 -","- C96 H56 N16 Ni4 O32 -","4","0.5","","Chen, Li-Zhuang; Pan, Qi-Jian; Cao, Xing-Xing; Wang, Fang-Ming","Crystal structure, magnetism, and dielectric properties based on the axially chiral ligand 2,2′-dinitro-4,4′-biphenyldicarboxylic acid","CrystEngComm","2016","18","11","1944","","10.1039/C5CE02426A","","","0.71073","MoKα","","0.0824","0.0692","","","0.191","0.2003","","","","","","1.085","","","","has coordinates","181606","2020-10-21","18:00:00",""
"7224171","13.827","0.003","19.685","0.004","8.9064","0.0017","90","","97.32","0.003","90","","2404.4","0.8","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C24 H14 Mn N4 O8 -","- C24 H14 Mn N4 O8 -","- C96 H56 Mn4 N16 O32 -","4","0.5","","Chen, Li-Zhuang; Pan, Qi-Jian; Cao, Xing-Xing; Wang, Fang-Ming","Crystal structure, magnetism, and dielectric properties based on the axially chiral ligand 2,2′-dinitro-4,4′-biphenyldicarboxylic acid","CrystEngComm","2016","18","11","1944","","10.1039/C5CE02426A","","","0.71073","MoKα","","0.0777","0.0466","","","0.1042","0.1149","","","","","","1.109","","","","has coordinates,has disorder","181606","2020-10-21","18:00:00",""
"7224172","13.641","0.004","19.536","0.005","8.806","0.002","90","","96.639","0.003","90","","2331","1.1","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C12 H7 Co0.5 N2 O4.18 -","- C12 H7 Co0.5 N2 O4.18 -","- C96 H56 Co4 N16 O33.44 -","8","1","","Chen, Li-Zhuang; Pan, Qi-Jian; Cao, Xing-Xing; Wang, Fang-Ming","Crystal structure, magnetism, and dielectric properties based on the axially chiral ligand 2,2′-dinitro-4,4′-biphenyldicarboxylic acid","CrystEngComm","2016","18","11","1944","","10.1039/C5CE02426A","","","0.71073","MoKα","","0.0564","0.0486","","","0.1288","0.1344","","","","","","1.086","","","","has coordinates,has disorder","181606","2020-10-21","18:00:00",""
"7224173","7.361","0.002","15.645","0.003","26.957","0.005","90","","90","","90","","3104.4","1.2","298","2","298","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C24 H32 N4 Ni O17 -","- C24 H16 N4 Ni O9 -","- C96 H64 N16 Ni4 O36 -","4","1","","Chen, Li-Zhuang; Pan, Qi-Jian; Cao, Xing-Xing; Wang, Fang-Ming","Crystal structure, magnetism, and dielectric properties based on the axially chiral ligand 2,2′-dinitro-4,4′-biphenyldicarboxylic acid","CrystEngComm","2016","18","11","1944","","10.1039/C5CE02426A","","","0.71073","MoKα","","0.0881","0.0537","","","0.1093","0.1157","","","","","","1.152","","","","has coordinates","181606","2020-10-21","18:00:00",""
"7224174","7.9939","0.0002","9.0331","0.0004","11.1337","0.0005","89.976","0.004","83.248","0.003","85.245","0.003","795.6","0.05","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C22 H40 N14 S4 -","- C22 H40 N14 S4 -","- C22 H40 N14 S4 -","1","0.5","","Taouss, Christina; Döring, Cindy; Jones, Peter G.; Pinkert, Lukas; Strey, Mark","Single crystals that spontaneously spawn other single crystals: a ternary and a binary adduct of thiourea and 2,5-dimethylpyrazine","CrystEngComm","2016","18","10","1842","","10.1039/C6CE00100A","","","0.71073","MoKα","","0.0499","0.0377","","","0.0814","0.0864","","","","","","1.047","","","","has coordinates","177742","2020-10-21","18:00:00",""
"7224175","8.3895","0.0003","9.1961","0.0003","15.9849","0.0006","103.892","0.003","97.021","0.003","90.97","0.003","1186.83","0.07","170","2","170","2","","","","","","","","5","P -1","-P 1","2","","","","- C8 H16 N4 O S -","- C8 H16 N4 O S -","- C32 H64 N16 O4 S4 -","4","2","","Taouss, Christina; Döring, Cindy; Jones, Peter G.; Pinkert, Lukas; Strey, Mark","Single crystals that spontaneously spawn other single crystals: a ternary and a binary adduct of thiourea and 2,5-dimethylpyrazine","CrystEngComm","2016","18","10","1842","","10.1039/C6CE00100A","","","1.54184","CuKα","","0.0374","0.0344","","","0.0956","0.0987","","","","","","1.043","","","","has coordinates","177742","2020-10-21","18:00:00",""
"7224176","7.7966","0.0005","9.0094","0.0005","10.8792","0.0007","89.053","0.005","85.454","0.005","83.906","0.005","757.45","0.08","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C19 H34 N14 S4 -","- C19 H34 N14 S4 -","- C19 H34 N14 S4 -","1","0.5","","Taouss, Christina; Döring, Cindy; Jones, Peter G.; Pinkert, Lukas; Strey, Mark","Single crystals that spontaneously spawn other single crystals: a ternary and a binary adduct of thiourea and 2,5-dimethylpyrazine","CrystEngComm","2016","18","10","1842","","10.1039/C6CE00100A","","","0.71073","MoKα","","0.0397","0.0317","","","0.0749","0.0793","","","","","","1.05","","","","has coordinates,has disorder","177742","2020-10-21","18:00:00",""
"7224177","6.6617","0.0002","9.4643","0.0002","13.0807","0.0004","70.44","0.001","80.953","0.001","83.307","0.001","765.64","0.04","101","2","101","2","","","","","","","","7","P -1","-P 1","2","","","","- C12 H8 Cl2 I N2 O2 Ru -","- C12 H8 Cl2 I N2 O2 Ru -","- C24 H16 Cl4 I2 N4 O4 Ru2 -","2","1","","Ding, Xin; Tuikka, Matti J.; Hirva, Pipsa; Kukushkin, Vadim Yu.; Novikov, Alexander S.; Haukka, Matti","Fine-tuning halogen bonding properties of diiodine through halogen‒halogen charge transfer ‒ extended [Ru(2,2′-bipyridine)(CO)2X2]·I2systems (X = Cl, Br, I)","CrystEngComm","2016","18","11","1987","","10.1039/C5CE02396C","","","0.71073","MoKα","","0.0294","0.0211","","","0.044","0.0465","","","","","","1.018","","","","has coordinates","181611","2020-10-21","18:00:00",""
"7224178","6.6553","0.0001","16.3426","0.0004","10.2145","0.0002","90","","97.865","0.001","90","","1100.53","0.04","100","2","100","2","","","","","","","","8","P 1 21 1","P 2yb","4","","","","- C13 H9 Br2 Cl3 I4 N2 O2 Ru -","- C13 H9 Br2 Cl3 I2 N2 O2 Ru -","- C26 H18 Br4 Cl6 I4 N4 O4 Ru2 -","2","1","","Ding, Xin; Tuikka, Matti J.; Hirva, Pipsa; Kukushkin, Vadim Yu.; Novikov, Alexander S.; Haukka, Matti","Fine-tuning halogen bonding properties of diiodine through halogen‒halogen charge transfer ‒ extended [Ru(2,2′-bipyridine)(CO)2X2]·I2systems (X = Cl, Br, I)","CrystEngComm","2016","18","11","1987","","10.1039/C5CE02396C","","","0.71073","MoKα","","0.0308","0.0239","","","0.0542","0.0558","","","","","","0.994","","","","has coordinates","181611","2020-10-21","18:00:00",""
"7224179","15.6811","0.0006","7.3656","0.0003","9.4737","0.0004","90","","90","","90","","1094.22","0.08","100","2","100","2","","","","","","","","6","P 21 21 2","P 2 2ab","18","","","","- C12 H8 I6 N2 O2 Ru -","- C12 H8 I6 N2 O2 Ru -","- C24 H16 I12 N4 O4 Ru2 -","2","0.5","","Ding, Xin; Tuikka, Matti J.; Hirva, Pipsa; Kukushkin, Vadim Yu.; Novikov, Alexander S.; Haukka, Matti","Fine-tuning halogen bonding properties of diiodine through halogen‒halogen charge transfer ‒ extended [Ru(2,2′-bipyridine)(CO)2X2]·I2systems (X = Cl, Br, I)","CrystEngComm","2016","18","11","1987","","10.1039/C5CE02396C","","","0.71073","MoKα","","0.0208","0.0193","","","0.04","0.0404","","","","","","1.088","","","","has coordinates","181611","2020-10-21","18:00:00",""
"7224180","9.0961","0.0016","10.371","0.003","10.572","0.003","112.39","0.03","93.49","0.03","90.7","0.02","919.7","0.5","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C12 H8 I4 N2 O2 Ru -","- C12 H8 I4 N2 O2 Ru -","- C24 H16 I8 N4 O4 Ru2 -","2","1","","Ding, Xin; Tuikka, Matti J.; Hirva, Pipsa; Kukushkin, Vadim Yu.; Novikov, Alexander S.; Haukka, Matti","Fine-tuning halogen bonding properties of diiodine through halogen‒halogen charge transfer ‒ extended [Ru(2,2′-bipyridine)(CO)2X2]·I2systems (X = Cl, Br, I)","CrystEngComm","2016","18","11","1987","","10.1039/C5CE02396C","","","0.71073","MoKα","","0.0478","0.0338","","","0.0879","0.0955","","","","","","1.051","","","","has coordinates","181611","2020-10-21","18:00:00",""
"7224181","11.6841","0.0006","11.4179","0.0006","17.2077","0.0009","90","","105.946","0.001","90","","2207.3","0.2","100","2","100","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C13 H9 Br Cl3 I3 N2 O2 Ru -","- C13 H9 Br2 Cl3 I2 N2 O2 Ru -","- C52 H36 Br8 Cl12 I8 N8 O8 Ru4 -","4","1","","Ding, Xin; Tuikka, Matti J.; Hirva, Pipsa; Kukushkin, Vadim Yu.; Novikov, Alexander S.; Haukka, Matti","Fine-tuning halogen bonding properties of diiodine through halogen‒halogen charge transfer ‒ extended [Ru(2,2′-bipyridine)(CO)2X2]·I2systems (X = Cl, Br, I)","CrystEngComm","2016","18","11","1987","","10.1039/C5CE02396C","","","0.71073","MoKα","","0.0309","0.0204","","","0.0454","0.0494","","","","","","1.052","","","","has coordinates","181611","2020-10-21","18:00:00",""
"7224182","6.4683","0.0003","12.3842","0.0005","21.1414","0.0009","89.106","0.002","83.451","0.002","87.535","0.002","1680.82","0.13","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C13 H10 Cl4 N2 O2 Ru -","- C13 H10 Cl4 N2 O2 Ru -","- C52 H40 Cl16 N8 O8 Ru4 -","4","2","","Ding, Xin; Tuikka, Matti J.; Hirva, Pipsa; Kukushkin, Vadim Yu.; Novikov, Alexander S.; Haukka, Matti","Fine-tuning halogen bonding properties of diiodine through halogen‒halogen charge transfer ‒ extended [Ru(2,2′-bipyridine)(CO)2X2]·I2systems (X = Cl, Br, I)","CrystEngComm","2016","18","11","1987","","10.1039/C5CE02396C","","","0.71073","MoKα","","0.0412","0.0297","","","0.0703","0.0772","","","","","","1.035","","","","has coordinates","181611","2020-10-21","18:00:00",""
"7224183","8.3627","0.0006","6.9269","0.0005","12.705","0.0009","90","","103.49","0.002","90","","715.67","0.09","100","2","100","2","","","","","","","","6","P 1 n 1","P -2yac","7","","","","- C12 H8 Br2 N2 O2 Ru -","- C12 H8 Br2 N2 O2 Ru -","- C24 H16 Br4 N4 O4 Ru2 -","2","1","","Ding, Xin; Tuikka, Matti J.; Hirva, Pipsa; Kukushkin, Vadim Yu.; Novikov, Alexander S.; Haukka, Matti","Fine-tuning halogen bonding properties of diiodine through halogen‒halogen charge transfer ‒ extended [Ru(2,2′-bipyridine)(CO)2X2]·I2systems (X = Cl, Br, I)","CrystEngComm","2016","18","11","1987","","10.1039/C5CE02396C","","","0.71073","MoKα","","0.0272","0.0235","","","0.0552","0.0564","","","","","","1.011","","","","has coordinates","181611","2020-10-21","18:00:00",""
"7224184","13.7231","0.0015","11.922","0.0013","18.0712","0.0019","90","","90","","90","","2956.6","0.6","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C12 H8 I2 N2 O2 Ru -","- C12 H8 I2 N2 O2 Ru -","- C96 H64 I16 N16 O16 Ru8 -","8","1","","Ding, Xin; Tuikka, Matti J.; Hirva, Pipsa; Kukushkin, Vadim Yu.; Novikov, Alexander S.; Haukka, Matti","Fine-tuning halogen bonding properties of diiodine through halogen‒halogen charge transfer ‒ extended [Ru(2,2′-bipyridine)(CO)2X2]·I2systems (X = Cl, Br, I)","CrystEngComm","2016","18","11","1987","","10.1039/C5CE02396C","","","0.71073","MoKα","","0.0324","0.0235","","","0.049","0.0522","","","","","","1.079","","","","has coordinates","181611","2020-10-21","18:00:00",""
"7224185","16.2","0.01","7.378","0.007","8.793","0.006","90","","105.079","0.03","90","","1014.8","1.3","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","isoniazid-adipic acid cocrystal II","","- C18 H24 N6 O6 -","- C18 H24 N6 O6 -","- C36 H48 N12 O12 -","2","0.5","","Sarceviča, I.; Kons, A.; Orola, L.","Isoniazid cocrystallisation with dicarboxylic acids: vapochemical, mechanochemical and thermal methods","CrystEngComm","2016","18","9","1625","","10.1039/C5CE01774B","powder diffraction","","1.5418","CuKα","","","","","","","","","","7.9","","","","","","","has coordinates","177768","2020-10-21","18:00:00",""
"7224186","8.3522","0.0017","12.682","0.003","11.339","0.002","90","","94.75","0.03","90","","1196.9","0.4","293","2","293","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C8 H32 Ge2 N8 O S6 V2 -","- C8 H32 Ge2 N8 O S6 V2 -","- C16 H64 Ge4 N16 O2 S12 V4 -","2","0.5","","Qian, Li-Wen; Zhao, Xiao-Wei; Su, Hu-Chao; Bian, Guo-Qing; Zhu, Qin-Yu; Dai, Jie","Supramolecular hexagonal nano tubes assembled by vanadium diamine complexes with thiogermanates","RSC Adv.","2016","6","20","16268","","10.1039/C5RA27088J","","","0.71073","MoKα","","0.0618","0.0523","","","0.1048","0.1167","","","","","","1.088","","","","has coordinates","176324","2020-10-21","18:00:00",""
"7224187","38.284","0.005","38.284","0.005","11.17","0.002","90","","90","","120","","14178","4","293","2","293","2","","","","","","","","7","R -3 c :H","-R 3 2""c","167","","","","- C12 H40 Ge2 N8 O2 S6 V2 -","- C12 H34 Ge2 N8 O2 S6 V2 -","- C216 H612 Ge36 N144 O36 S108 V36 -","18","0.5","","Qian, Li-Wen; Zhao, Xiao-Wei; Su, Hu-Chao; Bian, Guo-Qing; Zhu, Qin-Yu; Dai, Jie","Supramolecular hexagonal nano tubes assembled by vanadium diamine complexes with thiogermanates","RSC Adv.","2016","6","20","16268","","10.1039/C5RA27088J","","","0.71073","MoKα","","0.0894","0.0876","","","0.1568","0.1577","","","","","","1.11","","","","has coordinates,has disorder","176324","2020-10-21","18:00:00",""
"7224188","5.7002","0.0004","13.2911","0.0016","16.316","0.0017","90","","90","","90","","1236.1","0.2","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","(Z)-3-benzylidenebenzo[c]thiophene-1(3H)-thione","","- C15 H10 S2 -","- C15 H10 S2 -","- C60 H40 S8 -","4","1","","Giofrè, Salvatore V.; Romeo, Roberto; Mancuso, Raffaella; Cicero, Nicola; Corriero, Nicola; Chiacchio, Ugo; Romeo, Giovanni; Gabriele, Bartolo","A new microwave-assisted thionation-heterocyclization process leading to benzo[c]thiophene-1(3H)-thione and 1H-isothiochromene-1-thione derivatives","RSC Adv.","2016","","","","","10.1039/C6RA01329E","","","0.71073","MoKα","","0.0846","0.0481","","","0.1037","0.1228","","","","","","0.969","","","","has coordinates","176325","2020-10-21","18:00:00",""
"7224189","3.9659","0.0005","16.3382","0.0004","20.518","0.005","90","","91.92","0.016","90","","1328.7","0.4","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","(Z)-3-(4-fluorobenzylidene)benzo[c]thiophene-1(3H)-thione","","- C16 H12 O S2 -","- C16 H12 O S2 -","- C64 H48 O4 S8 -","4","1","","Giofrè, Salvatore V.; Romeo, Roberto; Mancuso, Raffaella; Cicero, Nicola; Corriero, Nicola; Chiacchio, Ugo; Romeo, Giovanni; Gabriele, Bartolo","A new microwave-assisted thionation-heterocyclization process leading to benzo[c]thiophene-1(3H)-thione and 1H-isothiochromene-1-thione derivatives","RSC Adv.","2016","","","","","10.1039/C6RA01329E","","","0.71073","MoKα","","0.1313","0.0544","","","0.103","0.1278","","","","","","1.023","","","","has coordinates","176325","2020-10-21","18:00:00",""
"7224190","6.324","0.001","8.9082","0.0014","7.8468","0.0012","90","","91.684","0.004","90","","441.86","0.12","100","2","100","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","CpFe(CO)2NCS","","- C8 H5 Fe N O2 S -","- C8 H5 Fe N O2 S -","- C16 H10 Fe2 N2 O4 S2 -","2","0.5","","Poh, Hwa Tiong; Ho, Chi Lui Paul; Fan, Wai Yip","Cyclopentadienyl iron dicarbonyl (CpFe(CO)2) derivatives as apoptosis-inducing agents","RSC Adv.","2016","","","","","10.1039/C5RA23891A","","","0.71073","MoKα","","0.0405","0.031","","","0.0783","0.1073","","","","","","1.236","","","","has coordinates","176326","2020-10-21","18:00:00",""
"7224191","6.798","0.004","7.024","0.004","10.813","0.006","93.169","0.007","95.036","0.007","118.514","0.007","449.1","0.4","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","CpFe(CO)2SCN","","- C8 H5 Fe N O2 S -","- C8 H5 Fe N O2 S -","- C16 H10 Fe2 N2 O4 S2 -","2","1","","Poh, Hwa Tiong; Ho, Chi Lui Paul; Fan, Wai Yip","Cyclopentadienyl iron dicarbonyl (CpFe(CO)2) derivatives as apoptosis-inducing agents","RSC Adv.","2016","","","","","10.1039/C5RA23891A","","","0.71073","MoKα","","0.0738","0.0533","","","0.12","0.1469","","","","","","1.065","","","","has coordinates","176326","2020-10-21","18:00:00",""
"7224192","10.9102","0.0019","11.1286","0.0019","16.302","0.002","76.597","0.003","87.151","0.003","60.847","0.003","1676.8","0.5","273","2","273","2","","","","","","","","5","P -1","-P 1","2","","","","- C29 H35 N5 O7 S3 -","- C29 H35 N5 O7 S3 -","- C58 H70 N10 O14 S6 -","2","1","","Zhu, Hai-Liang; Lu, Xiao-Yuan; Wang, Zhong-Chang; Wei, Ting; Yan, Xiao-Qiang; Wang, Peng-Fei","Design, Synthesis and Evaluation of Benzenesulfonamide-substituted 1,5-Diarylpyrazoles containing Phenylacetohydrazide Derivatives as COX-1/COX-2 Agents Against Solid Tumors","RSC Adv.","2016","","","","","10.1039/C6RA02168A","","","0.71073","MoKα","","0.2136","0.0884","","","0.1939","0.2564","","","","","","1","","","","has coordinates,has disorder","176327","2020-10-21","18:00:00",""
"7224193","10.683","0.002","10.986","0.002","16.073","0.0019","91.984","0.003","100.304","0.003","117.555","0.003","1630.5","0.5","273","2","273","2","","","","","","","","6","P -1","-P 1","2","","","","- C28 H26 Br N5 O5 S3 -","- C28 H26 Br N5 O5 S3 -","- C56 H52 Br2 N10 O10 S6 -","2","1","","Zhu, Hai-Liang; Lu, Xiao-Yuan; Wang, Zhong-Chang; Wei, Ting; Yan, Xiao-Qiang; Wang, Peng-Fei","Design, Synthesis and Evaluation of Benzenesulfonamide-substituted 1,5-Diarylpyrazoles containing Phenylacetohydrazide Derivatives as COX-1/COX-2 Agents Against Solid Tumors","RSC Adv.","2016","","","","","10.1039/C6RA02168A","","","0.71073","MoKα","","0.0991","0.058","","","0.1405","0.1643","","","","","","1.013","","","","has coordinates,has disorder","176327","2020-10-21","18:00:00",""
"7224194","18.1183","0.0003","19.5986","0.0004","24.7135","0.0005","75.385","0.0007","83.625","0.0006","74.064","0.0011","8157.1","0.3","173","","173","","","","","","","","","7","P -1","-P 1","2","n-Ag2[C-ethyl tetramethoxy resorcinarene bis-thiacrown][trifluoroacetate]2 dichloromethane ethanol solvate hydrate","n-Ag2[C-ethyl tetramethoxy resorcinarene bis-thiacrown][trifluoroacetate]2 dichloromethane ethanol solvate hydrate","","- C135 H202 Ag4 Cl6 F12 O34 S12 -","- C133 H188 Ag4 Cl6 F12 O33 S12 -","- C266 H376 Ag8 Cl12 F24 O66 S24 -","2","1","","Helttunen, Kaisa; Nissinen, Maija","Inverted molecular cups: 1-D and 2-D Ag(i) coordination polymers from resorcinarene bis-thiacrowns","CrystEngComm","2016","18","26","4944","","10.1039/C6CE00243A","","","0.71073","MoKα","","0.1226","0.0952","","","0.2465","0.2636","","","","","","1.071","","","","has coordinates,has disorder","185197","2020-10-21","18:00:00",""
"7224195","14.4639","0.0003","17.1573","0.0005","19.8936","0.0008","67.754","0.003","71.544","0.003","88.853","0.002","4306.2","0.3","120","0.1","120","0.1","","","","","","","","6","P -1","-P 1","2","n-Ag3[C-ethyl tetramethoxy resorcinarene bis-thiacrown][trifluoroacetate]3 ethanol solvate hydrate","n-Ag3[C-ethyl tetramethoxy resorcinarene bis-thiacrown][trifluoroacetate]3 ethanol solvate hydrate","","- C72 H107 Ag3 F9 O19.5 S6 -","- C72 H106 Ag3 F9 O19.5 S6 -","- C144 H212 Ag6 F18 O39 S12 -","2","1","","Helttunen, Kaisa; Nissinen, Maija","Inverted molecular cups: 1-D and 2-D Ag(i) coordination polymers from resorcinarene bis-thiacrowns","CrystEngComm","2016","18","26","4944","","10.1039/C6CE00243A","","x-ray","1.54184","CuKα","","0.0996","0.0856","","","0.2508","0.272","","","","","","1.035","","","","has coordinates,has disorder","185197","2020-10-21","18:00:00",""
"7224196","14.9657","0.0003","31.1456","0.0007","22.3769","0.0006","90","","94.729","0.002","90","","10394.7","0.4","120","0.1","120","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","n-Ag4.5[C-pentyl tetramethoxy resorcinarene bis-thiacrown][trifluoroacetate]4.5 ethanol solvate hydrate","n-Ag4.5[C-pentyl tetramethoxy resorcinarene bis-thiacrown][trifluoroacetate]4.5 ethanol solvate hydrate","","- C79 H111 Ag4.5 F13.5 O20.5 S6 -","- C79 H105.5 Ag4.5 F13.5 O20.5 S6 -","- C316 H422 Ag18 F54 O82 S24 -","4","1","","Helttunen, Kaisa; Nissinen, Maija","Inverted molecular cups: 1-D and 2-D Ag(i) coordination polymers from resorcinarene bis-thiacrowns","CrystEngComm","2016","18","26","4944","","10.1039/C6CE00243A","","","1.54184","CuKα","","0.1187","0.0918","","","0.261","0.2876","","","","","","1.04","","","","has coordinates,has disorder","185197","2020-10-21","18:00:00",""
"7224197","17.7963","0.0006","20.7997","0.0006","24.3087","0.0005","92.255","0.002","98.785","0.002","106.258","0.003","8504.9","0.4","123","0.1","123","0.1","","","","","","","","6","P -1","-P 1","2","n-Ag5[C-pentyl tetramethoxy resorcinarene bis-thiacrown]2[trifluoroacetate]5 ethanol solvate hydrate","n-Ag5[C-pentyl tetramethoxy resorcinarene bis-thiacrown]2[trifluoroacetate]5 ethanol solvate hydrate","","- C153 H227 Ag5 F15 O32.5 S8 -","- C153 H225 Ag5 F15 O32.5 S8 -","- C306 H450 Ag10 F30 O65 S16 -","2","1","","Helttunen, Kaisa; Nissinen, Maija","Inverted molecular cups: 1-D and 2-D Ag(i) coordination polymers from resorcinarene bis-thiacrowns","CrystEngComm","2016","18","26","4944","","10.1039/C6CE00243A","","","1.54184","CuKα","","0.1131","0.0739","","","0.197","0.2279","","","","","","0.991","","","","has coordinates,has disorder","185197","2020-10-21","18:00:00",""
"7224198","13.163","0.005","29.199","0.011","15.137","0.005","90","","91.473","0.005","90","","5816","4","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","5,11,17,23-Tetra-tert-butyl-25,27-di[(hydrazinocarbonyl)methoxy]-26,28-di[(hydroxycarbonyl)methoxy]- 2,8,14,20-tetrathiacalix[4]arene","","- C50 H66 N4 O11 S5 -","- C50 H66 N4 O11 S5 -","- C200 H264 N16 O44 S20 -","4","1","","Podyachev, Sergey Nicolaevich; Gimazetdinova, Gulnaz; Gubaidullin, Aidar Timergalievich; Syakaev, Victor Vasil'evich; Sudakova, Svetlana; Gabidullin, Bulat; Ivanov, Vladimir Timofeevich; Gogolashvili, Edward Lavrentievich; Konovalov, Alexander Ivanovich","Synthesis, structure and coordinating properties of novel bifunctional carboxylic derivatives of 1,3-alternate tetrathiacalix[4]arene","RSC Adv.","2016","","","","","10.1039/C6RA01730D","","","0.71073","MoKα","","0.2629","0.1075","","","0.2694","0.3323","","","","","","0.856","","","","has coordinates,has disorder","176380","2020-10-21","18:00:00",""
"7224199","35.723","0.008","13.121","0.003","25.422","0.006","90","","108.104","0.003","90","","11326","5","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","5,11,17,23-Tetra-tert-butyl-25,27-di[(hydrazinocarbonyl)methoxy]-26,28-di[(hydroxycarbonyl)methoxy]- 2,8,14,20-tetrathiacalix[4]arene","","- C48 H68 N8 O10 S4 -","- C48 H68 N8 O10 S4 -","- C384 H544 N64 O80 S32 -","8","1","","Podyachev, Sergey Nicolaevich; Gimazetdinova, Gulnaz; Gubaidullin, Aidar Timergalievich; Syakaev, Victor Vasil'evich; Sudakova, Svetlana; Gabidullin, Bulat; Ivanov, Vladimir Timofeevich; Gogolashvili, Edward Lavrentievich; Konovalov, Alexander Ivanovich","Synthesis, structure and coordinating properties of novel bifunctional carboxylic derivatives of 1,3-alternate tetrathiacalix[4]arene","RSC Adv.","2016","","","","","10.1039/C6RA01730D","","","0.71073","MoKα","","0.2839","0.0952","","","0.208","0.2684","","","","","","0.751","","","","has coordinates,has disorder","176380","2020-10-21","18:00:00",""
"7224200","10.3996","0.0008","16.7027","0.0013","21.9306","0.0018","90","","90.249","0.001","90","","3809.3","0.5","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","25,27-Di[(hydrazinocarbonyl)methoxy]-26,28-di[(hydroxycarbonyl)methoxy]-2,8,14,20-tetrathiacalix[4]arene","","- C32 H40 N6 O14 S4 -","- C32 H40 N6 O14 S4 -","- C128 H160 N24 O56 S16 -","4","1","","Podyachev, Sergey Nicolaevich; Gimazetdinova, Gulnaz; Gubaidullin, Aidar Timergalievich; Syakaev, Victor Vasil'evich; Sudakova, Svetlana; Gabidullin, Bulat; Ivanov, Vladimir Timofeevich; Gogolashvili, Edward Lavrentievich; Konovalov, Alexander Ivanovich","Synthesis, structure and coordinating properties of novel bifunctional carboxylic derivatives of 1,3-alternate tetrathiacalix[4]arene","RSC Adv.","2016","","","","","10.1039/C6RA01730D","","","0.71073","MoKα","","0.0669","0.0589","","","0.1455","0.1503","","","","","","1.11","","","","has coordinates,has disorder","176380","2020-10-21","18:00:00",""
"7224201","13.783","0.013","15.091","0.014","17.68","0.02","71.891","0.012","85.063","0.018","69.735","0.012","3278","6","296","2","296","2","","","","","","","","5","P -1","-P 1","2","5,11,17,23-Tetra-tert-butyl-25,27-Di[((2-pyridinylmethylidene)hydrazinocarbonyl)-methoxy]-26,28-di[(hydroxycarbonyl)methoxy]-2,8,14,20-tetrathiacalix[4]arene","","","- C61 H70 N6 O11 S4 -","- C61 H70 N6 O11 S4 -","- C122 H140 N12 O22 S8 -","2","1","","Podyachev, Sergey Nicolaevich; Gimazetdinova, Gulnaz; Gubaidullin, Aidar Timergalievich; Syakaev, Victor Vasil'evich; Sudakova, Svetlana; Gabidullin, Bulat; Ivanov, Vladimir Timofeevich; Gogolashvili, Edward Lavrentievich; Konovalov, Alexander Ivanovich","Synthesis, structure and coordinating properties of novel bifunctional carboxylic derivatives of 1,3-alternate tetrathiacalix[4]arene","RSC Adv.","2016","","","","","10.1039/C6RA01730D","","","0.71073","MoKα","","0.3498","0.153","","","0.4178","0.469","","","","","","0.897","","","","has coordinates,has disorder","176380","2020-10-21","18:00:00",""
"7224202","9.9936","0.0009","18.4615","0.0015","20.6801","0.0017","90","","94.046","0.005","90","","3805.9","0.6","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","25,27-Di[(hydrazinocarbonyl)methoxy]-26,28-di[(ethoxycarbonyl)methoxy]-2,8,14,20-tetrathiacalix[4]arene","","- C36 H36 N4 O10 S4 -","- C36 H36 N4 O10 S4 -","- C144 H144 N16 O40 S16 -","4","1","","Podyachev, Sergey Nicolaevich; Gimazetdinova, Gulnaz; Gubaidullin, Aidar Timergalievich; Syakaev, Victor Vasil'evich; Sudakova, Svetlana; Gabidullin, Bulat; Ivanov, Vladimir Timofeevich; Gogolashvili, Edward Lavrentievich; Konovalov, Alexander Ivanovich","Synthesis, structure and coordinating properties of novel bifunctional carboxylic derivatives of 1,3-alternate tetrathiacalix[4]arene","RSC Adv.","2016","","","","","10.1039/C6RA01730D","","","0.71073","MoKα","","0.1632","0.0606","","","0.1482","0.1905","","","","","","1.01","","","","has coordinates,has disorder","176380","2020-10-21","18:00:00",""
"7224203","8.6467","0.0004","11.5046","0.0005","17.129","0.0007","90","","92.114","0.004","90","","1702.78","0.13","291.7","0.3","291.7","0.3","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C19 H17 N3 O3 -","- C19 H17 N3 O3 -","- C76 H68 N12 O12 -","4","1","","Jamatia, Ramen; Gupta, Ajay; Pal, Amarta Kumar","Nano-FGT: A Green and Sustainable Catalyst for The Synthesis of Spirooxindoles in Aqueous Medium","RSC Adv.","2016","","","","","10.1039/C5RA27552K","","","0.7107","MoKα","","0.1037","0.057903","","","","0.136652","","","","","","1.04434","","","","has coordinates","176381","2020-10-21","18:00:00",""
"7224204","10.0071","0.0013","22.038","0.003","8.246","0.0011","90","","98.552","0.012","90","","1798.3","0.4","291.76","0.1","291.76","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C21 H15 N5 O2 -","- C21 H15 N5 O2 -","- C84 H60 N20 O8 -","4","1","","Jamatia, Ramen; Gupta, Ajay; Pal, Amarta Kumar","Nano-FGT: A Green and Sustainable Catalyst for The Synthesis of Spirooxindoles in Aqueous Medium","RSC Adv.","2016","","","","","10.1039/C5RA27552K","","","0.71073","MoKα","","0.0726","0.0563","","","0.1574","0.1719","","","","","","1.2132","","","","has coordinates","176381","2020-10-21","18:00:00",""
"7224205","8.78","0.0004","11.9326","0.0006","17.9072","0.0011","90","","94.842","0.005","90","","1869.41","0.17","291.7","0.3","291.7","0.3","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C23 H18 N2 O3 -","- C23 H18 N2 O3 -","- C92 H72 N8 O12 -","4","1","","Jamatia, Ramen; Gupta, Ajay; Pal, Amarta Kumar","Nano-FGT: A Green and Sustainable Catalyst for The Synthesis of Spirooxindoles in Aqueous Medium","RSC Adv.","2016","","","","","10.1039/C5RA27552K","","","0.7107","MoKα","","0.090253","0.052441","","","","0.135589","","","","","","1.02757","","","","has coordinates","176381","2020-10-21","18:00:00",""
"7224206","11.5457","0.0004","13.4021","0.0005","29.7173","0.0012","90","","95.335","0.004","90","","4578.4","0.3","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Nitro-(N,N,N',N'-tetrabutyldiethylenetriamine)palladium(II)tetraphenylborate, tetrahydrofuran solvate","","- C48 H73 B N4 O3 Pd -","- C48 H73 B N4 O3 Pd -","- C192 H292 B4 N16 O12 Pd4 -","4","1","","Hatcher, Lauren E.","Raising the (metastable) bar: 100% photo-switching in [Pd(Bu4dien)(η1-N̲O2)]+approaches ambient temperature","CrystEngComm","2016","18","22","4180","","10.1039/C5CE02434J","","","0.71073","MoKα","","0.0756","0.0428","","","0.0761","0.0863","","","","","","1.001","","","","has coordinates","185167","2020-10-21","18:00:00",""
"7224207","11.4775","0.0004","13.3647","0.0005","29.9849","0.0008","90","","94.569","0.003","90","","4584.9","0.3","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Nitro-(N,N,N',N'-tetrabutyldiethylenetriamine)palladium(II)tetraphenylborate, tetrahydrofuran solvate","","- C48 H73 B N4 O3 Pd -","- C48 H73 B N4 O3 Pd -","- C192 H292 B4 N16 O12 Pd4 -","4","1","","Hatcher, Lauren E.","Raising the (metastable) bar: 100% photo-switching in [Pd(Bu4dien)(η1-N̲O2)]+approaches ambient temperature","CrystEngComm","2016","18","22","4180","","10.1039/C5CE02434J","","","0.71073","MoKα","","0.0785","0.0428","","","0.079","0.0901","","","","","","1.01","","","","has coordinates","185167","2020-10-21","18:00:00",""
"7224208","11.5673","0.0012","13.4937","0.0008","30.088","0.003","90","","93.738","0.01","90","","4686.3","0.7","200","2","200","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Nitro-(N,N,N',N'-tetrabutyldiethylenetriamine)palladium(II)tetraphenylborate, tetrahydrofuran solvate","","- C48 H73 B N4 O3 Pd -","- C48 H73 B N4 O3 Pd -","- C192 H292 B4 N16 O12 Pd4 -","4","1","","Hatcher, Lauren E.","Raising the (metastable) bar: 100% photo-switching in [Pd(Bu4dien)(η1-N̲O2)]+approaches ambient temperature","CrystEngComm","2016","18","22","4180","","10.1039/C5CE02434J","","","0.71073","MoKα","","0.1413","0.065","","","0.1106","0.1395","","","","","","0.989","","","","has coordinates","185167","2020-10-21","18:00:00",""
"7224209","11.583","0.0005","13.5168","0.0004","30.1137","0.0011","90","","93.57","0.004","90","","4705.6","0.3","220","2","220","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Nitro-(N,N,N',N'-tetrabutyldiethylenetriamine)palladium(II)tetraphenylborate, tetrahydrofuran solvate","","- C48 H73 B N4 O3 Pd -","- C48 H73 B N4 O3 Pd -","- C192 H292 B4 N16 O12 Pd4 -","4","1","","Hatcher, Lauren E.","Raising the (metastable) bar: 100% photo-switching in [Pd(Bu4dien)(η1-N̲O2)]+approaches ambient temperature","CrystEngComm","2016","18","22","4180","","10.1039/C5CE02434J","","","0.71073","MoKα","","0.0955","0.0505","","","0.0966","0.1141","","","","","","0.991","","","","has coordinates","185167","2020-10-21","18:00:00",""
"7224210","11.5844","0.0006","13.5468","0.0005","30.1451","0.0011","90","","93.333","0.004","90","","4722.7","0.3","240","2","240","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Nitro-(N,N,N',N'-tetrabutyldiethylenetriamine)palladium(II)tetraphenylborate, tetrahydrofuran solvate","","- C48 H73 B N4 O3 Pd -","- C48 H73 B N4 O3 Pd -","- C192 H292 B4 N16 O12 Pd4 -","4","1","","Hatcher, Lauren E.","Raising the (metastable) bar: 100% photo-switching in [Pd(Bu4dien)(η1-N̲O2)]+approaches ambient temperature","CrystEngComm","2016","18","22","4180","","10.1039/C5CE02434J","","","0.71073","MoKα","","0.0997","0.0513","","","0.1053","0.1244","","","","","","1.007","","","","has coordinates","185167","2020-10-21","18:00:00",""
"7224211","11.6183","0.0007","13.554","0.0005","30.111","0.002","90","","93.455","0.005","90","","4733.1","0.5","250","2","250","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Nitro-(N,N,N',N'-tetrabutyldiethylenetriamine)palladium(II)tetraphenylborate, tetrahydrofuran solvate","","- C48 H73 B N4 O3 Pd -","- C48 H73 B N4 O3 Pd -","- C192 H292 B4 N16 O12 Pd4 -","4","1","","Hatcher, Lauren E.","Raising the (metastable) bar: 100% photo-switching in [Pd(Bu4dien)(η1-N̲O2)]+approaches ambient temperature","CrystEngComm","2016","18","22","4180","","10.1039/C5CE02434J","","","0.71073","MoKα","","0.1325","0.0595","","","0.1085","0.1357","","","","","","1.009","","","","has coordinates,has disorder","185167","2020-10-21","18:00:00",""
"7224212","11.65","0.0005","13.5543","0.0006","30.068","0.0012","90","","93.859","0.004","90","","4737.2","0.3","260","2","260","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Nitro-(N,N,N',N'-tetrabutyldiethylenetriamine)palladium(II)tetraphenylborate, tetrahydrofuran solvate","","- C48 H73 B N4 O3 Pd -","- C48 H73 B N4 O3 Pd -","- C192 H292 B4 N16 O12 Pd4 -","4","1","","Hatcher, Lauren E.","Raising the (metastable) bar: 100% photo-switching in [Pd(Bu4dien)(η1-N̲O2)]+approaches ambient temperature","CrystEngComm","2016","18","22","4180","","10.1039/C5CE02434J","","","0.71073","MoKα","","0.0964","0.0491","","","0.0888","0.104","","","","","","1.006","","","","has coordinates","185167","2020-10-21","18:00:00",""
"7224213","11.5238","0.0007","13.4068","0.0005","29.8526","0.0013","90","","95.231","0.005","90","","4592.9","0.4","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Nitro-(N,N,N',N'-tetrabutyldiethylenetriamine)palladium(II)tetraphenylborate, tetrahydrofuran solvate","","- C48 H73 B N4 O3 Pd -","- C48 H73 B N4 O3 Pd -","- C192 H292 B4 N16 O12 Pd4 -","4","1","","Hatcher, Lauren E.","Raising the (metastable) bar: 100% photo-switching in [Pd(Bu4dien)(η1-N̲O2)]+approaches ambient temperature","CrystEngComm","2016","18","22","4180","","10.1039/C5CE02434J","","","0.71073","MoKα","","0.1061","0.0534","","","0.0946","0.1117","","","","","","1.001","","","","has coordinates,has disorder","185167","2020-10-21","18:00:00",""
"7224214","11.5241","0.0006","13.4062","0.0004","29.8989","0.0011","90","","95.061","0.004","90","","4601.2","0.3","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Nitro-(N,N,N',N'-tetrabutyldiethylenetriamine)palladium(II)tetraphenylborate, tetrahydrofuran solvate","","- C48 H73 B N4 O3 Pd -","- C48 H73 B N4 O3 Pd -","- C192 H292 B4 N16 O12 Pd4 -","4","1","","Hatcher, Lauren E.","Raising the (metastable) bar: 100% photo-switching in [Pd(Bu4dien)(η1-N̲O2)]+approaches ambient temperature","CrystEngComm","2016","18","22","4180","","10.1039/C5CE02434J","","","0.71073","MoKα","","0.096","0.051","","","0.0898","0.1048","","","","","","1.009","","","","has coordinates,has disorder","185167","2020-10-21","18:00:00",""
"7224215","11.4898","0.0007","13.3882","0.0005","29.98","0.0013","90","","94.753","0.005","90","","4595.9","0.4","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Nitro-(N,N,N',N'-tetrabutyldiethylenetriamine)palladium(II)tetraphenylborate, tetrahydrofuran solvate","","- C48 H73 B N4 O3 Pd -","- C48 H73 B N4 O3 Pd -","- C192 H292 B4 N16 O12 Pd4 -","4","1","","Hatcher, Lauren E.","Raising the (metastable) bar: 100% photo-switching in [Pd(Bu4dien)(η1-N̲O2)]+approaches ambient temperature","CrystEngComm","2016","18","22","4180","","10.1039/C5CE02434J","","","0.71073","MoKα","","0.1051","0.0534","","","0.0953","0.1134","","","","","","1.001","","","","has coordinates,has disorder","185167","2020-10-21","18:00:00",""
"7224216","11.4937","0.0003","13.381","0.0004","29.9575","0.001","90","","94.717","0.003","90","","4591.8","0.2","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Nitro-(N,N,N',N'-tetrabutyldiethylenetriamine)palladium(II)tetraphenylborate, tetrahydrofuran solvate","","- C48 H73 B N4 O3 Pd -","- C48 H73 B N4 O3 Pd -","- C192 H292 B4 N16 O12 Pd4 -","4","1","","Hatcher, Lauren E.","Raising the (metastable) bar: 100% photo-switching in [Pd(Bu4dien)(η1-N̲O2)]+approaches ambient temperature","CrystEngComm","2016","18","22","4180","","10.1039/C5CE02434J","","","0.71073","MoKα","","0.0748","0.0466","","","0.0929","0.1046","","","","","","1.023","","","","has coordinates,has disorder","185167","2020-10-21","18:00:00",""
"7224217","11.4854","0.0003","13.3693","0.0003","30.0108","0.0008","90","","94.639","0.002","90","","4593.1","0.2","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Nitro-(N,N,N',N'-tetrabutyldiethylenetriamine)palladium(II)tetraphenylborate, tetrahydrofuran solvate","","- C48 H73 B N4 O3 Pd -","- C48 H73 B N4 O3 Pd -","- C192 H292 B4 N16 O12 Pd4 -","4","1","","Hatcher, Lauren E.","Raising the (metastable) bar: 100% photo-switching in [Pd(Bu4dien)(η1-N̲O2)]+approaches ambient temperature","CrystEngComm","2016","18","22","4180","","10.1039/C5CE02434J","","","0.71073","MoKα","","0.0513","0.0329","","","0.0667","0.0728","","","","","","1.007","","","","has coordinates","185167","2020-10-21","18:00:00",""
"7224218","11.5322","0.0004","13.4261","0.0005","30.0361","0.0011","90","","94.162","0.004","90","","4638.3","0.3","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Nitro-(N,N,N',N'-tetrabutyldiethylenetriamine)palladium(II)tetraphenylborate, tetrahydrofuran solvate","","- C48 H73 B N4 O3 Pd -","- C48 H73 B N4 O3 Pd -","- C192 H292 B4 N16 O12 Pd4 -","4","1","","Hatcher, Lauren E.","Raising the (metastable) bar: 100% photo-switching in [Pd(Bu4dien)(η1-N̲O2)]+approaches ambient temperature","CrystEngComm","2016","18","22","4180","","10.1039/C5CE02434J","","","0.71073","MoKα","","0.0968","0.0514","","","0.0902","0.1054","","","","","","1.012","","","","has coordinates","185167","2020-10-21","18:00:00",""
"7224219","11.5569","0.0005","13.4632","0.0005","30.0545","0.0013","90","","93.906","0.004","90","","4665.4","0.3","180","2","180","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Nitro-(N,N,N',N'-tetrabutyldiethylenetriamine)palladium(II)tetraphenylborate, tetrahydrofuran solvate","","- C48 H73 B N4 O3 Pd -","- C48 H73 B N4 O3 Pd -","- C192 H292 B4 N16 O12 Pd4 -","4","1","","Hatcher, Lauren E.","Raising the (metastable) bar: 100% photo-switching in [Pd(Bu4dien)(η1-N̲O2)]+approaches ambient temperature","CrystEngComm","2016","18","22","4180","","10.1039/C5CE02434J","","","0.71073","MoKα","","0.1115","0.0537","","","0.0908","0.109","","","","","","1.011","","","","has coordinates","185167","2020-10-21","18:00:00",""
"7224220","11.5703","0.0005","13.4876","0.0006","30.0621","0.0014","90","","93.739","0.005","90","","4681.4","0.4","200","2","200","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Nitro-(N,N,N',N'-tetrabutyldiethylenetriamine)palladium(II)tetraphenylborate, tetrahydrofuran solvate","","- C48 H73 B N4 O3 Pd -","- C48 H73 B N4 O3 Pd -","- C192 H292 B4 N16 O12 Pd4 -","4","1","","Hatcher, Lauren E.","Raising the (metastable) bar: 100% photo-switching in [Pd(Bu4dien)(η1-N̲O2)]+approaches ambient temperature","CrystEngComm","2016","18","22","4180","","10.1039/C5CE02434J","","","0.71073","MoKα","","0.1202","0.0571","","","0.0914","0.1101","","","","","","1.006","","","","has coordinates","185167","2020-10-21","18:00:00",""
"7224221","11.6115","0.0007","13.5033","0.0007","29.982","0.0017","90","","93.955","0.005","90","","4689.8","0.5","220","2","220","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Nitro-(N,N,N',N'-tetrabutyldiethylenetriamine)palladium(II)tetraphenylborate, tetrahydrofuran solvate","","- C48 H73 B N4 O3 Pd -","- C48 H73 B N4 O3 Pd -","- C192 H292 B4 N16 O12 Pd4 -","4","1","","Hatcher, Lauren E.","Raising the (metastable) bar: 100% photo-switching in [Pd(Bu4dien)(η1-N̲O2)]+approaches ambient temperature","CrystEngComm","2016","18","22","4180","","10.1039/C5CE02434J","","","0.71073","MoKα","","0.1383","0.0628","","","0.1065","0.1333","","","","","","1","","","","has coordinates,has disorder","185167","2020-10-21","18:00:00",""
"7224222","11.646","0.0006","13.5277","0.0007","30.0138","0.0015","90","","93.953","0.005","90","","4717.2","0.4","240","2","240","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Nitro-(N,N,N',N'-tetrabutyldiethylenetriamine)palladium(II)tetraphenylborate, tetrahydrofuran solvate","","- C48 H73 B N4 O3 Pd -","- C48 H73 B N4 O3 Pd -","- C192 H292 B4 N16 O12 Pd4 -","4","1","","Hatcher, Lauren E.","Raising the (metastable) bar: 100% photo-switching in [Pd(Bu4dien)(η1-N̲O2)]+approaches ambient temperature","CrystEngComm","2016","18","22","4180","","10.1039/C5CE02434J","","","0.71073","MoKα","","0.136","0.0596","","","0.0903","0.112","","","","","","1.002","","","","has coordinates","185167","2020-10-21","18:00:00",""
"7224223","11.6422","0.0005","13.5412","0.0006","30.0467","0.0011","90","","93.985","0.004","90","","4725.4","0.3","250","2","250","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Nitro-(N,N,N',N'-tetrabutyldiethylenetriamine)palladium(II)tetraphenylborate, tetrahydrofuran solvate","","- C48 H73 B N4 O3 Pd -","- C48 H73 B N4 O3 Pd -","- C192 H292 B4 N16 O12 Pd4 -","4","1","","Hatcher, Lauren E.","Raising the (metastable) bar: 100% photo-switching in [Pd(Bu4dien)(η1-N̲O2)]+approaches ambient temperature","CrystEngComm","2016","18","22","4180","","10.1039/C5CE02434J","","","0.71073","MoKα","","0.0913","0.0474","","","0.0889","0.1029","","","","","","1.001","","","","has coordinates","185167","2020-10-21","18:00:00",""
"7224224","11.6538","0.0006","13.5552","0.0007","30.0383","0.0016","90","","93.725","0.005","90","","4735.1","0.4","260","2","260","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Nitro-(N,N,N',N'-tetrabutyldiethylenetriamine)palladium(II)tetraphenylborate, tetrahydrofuran solvate","","- C48 H73 B N4 O3 Pd -","- C48 H73 B N4 O3 Pd -","- C192 H292 B4 N16 O12 Pd4 -","4","1","","Hatcher, Lauren E.","Raising the (metastable) bar: 100% photo-switching in [Pd(Bu4dien)(η1-N̲O2)]+approaches ambient temperature","CrystEngComm","2016","18","22","4180","","10.1039/C5CE02434J","","","0.71073","MoKα","","0.1492","0.0601","","","0.0904","0.1157","","","","","","0.983","","","","has coordinates","185167","2020-10-21","18:00:00",""
"7224225","13.691","0.004","22.544","0.006","11.572","0.003","90","","96.98","0.05","90","","3545.2","1.7","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","1","","- C30 H52 N6 O17 -","- C30 H38 N6 O17 -","- C120 H152 N24 O68 -","4","0.5","","Aríñez-Soriano, J.; Albalad, J.; Pérez-Carvajal, J.; Imaz, I.; Busqué, F.; Juanhuix, J.; Maspoch, D.","Two-step synthesis of heterometallic coordination polymers using a polyazamacrocyclic linker","CrystEngComm","2016","18","22","4196","","10.1039/C5CE02520F","","","0.71073","MoKα","","0.1222","0.1019","","","0.2549","0.2711","","","","","","1.069","","","","has coordinates","185170","2020-10-21","18:00:00",""
"7224226","11.73","0.003","19.81","0.005","17.13","0.004","90","","105.77","0.03","90","","3830.7","1.7","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","3","","- C30 H45 Mn N6 Na O21 -","- C30 H35 Mn N6 Na O20.5 -","- C120 H140 Mn4 N24 Na4 O82 -","4","1","","Aríñez-Soriano, J.; Albalad, J.; Pérez-Carvajal, J.; Imaz, I.; Busqué, F.; Juanhuix, J.; Maspoch, D.","Two-step synthesis of heterometallic coordination polymers using a polyazamacrocyclic linker","CrystEngComm","2016","18","22","4196","","10.1039/C5CE02520F","","","0.6889","synchrotron","","0.1105","0.1048","","","0.2944","0.3013","","","","","","1.064","","","","has coordinates","185170","2020-10-21","18:00:00",""
"7224227","18.78","0.004","18.11","0.004","9.2","0.002","90","","106.22","0.05","90","","3004.4","1.4","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","4","","- C30 H38 N6 Ni O11 -","- C30 H36 N6 Ni O11 -","- C120 H144 N24 Ni4 O44 -","4","0.5","","Aríñez-Soriano, J.; Albalad, J.; Pérez-Carvajal, J.; Imaz, I.; Busqué, F.; Juanhuix, J.; Maspoch, D.","Two-step synthesis of heterometallic coordination polymers using a polyazamacrocyclic linker","CrystEngComm","2016","18","22","4196","","10.1039/C5CE02520F","","","0.6889","synchrotron","","0.1095","0.0841","","","0.2394","0.2671","","","","","","1.085","","","","has coordinates","185170","2020-10-21","18:00:00",""
"7224228","10.83","0.016","18.48","0.002","16.55","0.002","90","","103.9","0.02","90","","3215","5","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","5","","- C30 H40 N6 O14 Zn2 -","- C30 H34 N6 O14 Zn2 -","- C120 H136 N24 O56 Zn8 -","4","1","","Aríñez-Soriano, J.; Albalad, J.; Pérez-Carvajal, J.; Imaz, I.; Busqué, F.; Juanhuix, J.; Maspoch, D.","Two-step synthesis of heterometallic coordination polymers using a polyazamacrocyclic linker","CrystEngComm","2016","18","22","4196","","10.1039/C5CE02520F","","","0.6889","synchrotronradiation","","0.1989","0.0951","","","0.2204","0.2896","","","","","","1.018","","","","has coordinates","185170","2020-10-21","18:00:00",""
"7224229","11.36","0.003","22.08","0.003","15.56","0.003","90","","90.2","0.03","90","","3902.9","1.4","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","6","","- C30 H50 N6 Ni O19 Zn -","- C30 H34 N6 Ni O19 Zn -","- C120 H136 N24 Ni4 O76 Zn4 -","4","1","","Aríñez-Soriano, J.; Albalad, J.; Pérez-Carvajal, J.; Imaz, I.; Busqué, F.; Juanhuix, J.; Maspoch, D.","Two-step synthesis of heterometallic coordination polymers using a polyazamacrocyclic linker","CrystEngComm","2016","18","22","4196","","10.1039/C5CE02520F","","","0.70109","synchrotronradiation","","0.1127","0.1057","","","0.3426","0.3522","","","","","","1.669","","","","has coordinates","185170","2020-10-21","18:00:00",""
"7224230","37","0.004","12.5","0.004","18.68","0.004","90","","111.4","0.03","90","","8044","4","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","7","","- C30 H52 Mn N6 O20 Zn -","- C30 H34 Mn N6 O20 Zn -","- C240 H272 Mn8 N48 O160 Zn8 -","8","1","","Aríñez-Soriano, J.; Albalad, J.; Pérez-Carvajal, J.; Imaz, I.; Busqué, F.; Juanhuix, J.; Maspoch, D.","Two-step synthesis of heterometallic coordination polymers using a polyazamacrocyclic linker","CrystEngComm","2016","18","22","4196","","10.1039/C5CE02520F","","","0.70109","synchrotronradiation","","0.1171","0.1041","","","0.3237","0.345","","","","","","1.562","","","","has coordinates","185170","2020-10-21","18:00:00",""
"7224231","4.9477","0.0002","10.5762","0.0005","13.8911","0.0007","109.507","0.005","95.486","0.004","101.807","0.004","660","0.06","120","1","120","2","","","","","","","see text","4","P -1","-P 1","2","","111 GASM 14D sovate","","- C13 H15 N O8 -","- C13 H15 N O8 -","- C26 H30 N2 O16 -","2","1","","Kaur, Ramanpreet; Cherukuvada, Suryanarayan; Managutti, Praveen B.; Row, Tayur N. Guru","A gallic acid‒succinimide co-crystal landscape: polymorphism, pseudopolymorphism, variable stoichiometry co-crystals and concomitant growth of non-solvated and solvated co-crystals","CrystEngComm","2016","18","18","3191","","10.1039/C5CE01965F","","x-ray","0.71073","MoKα","","0.0389","0.034","","","0.0831","0.0862","","","","","","1.035","","","","has coordinates","182636","2020-10-21","18:00:00",""
"7224232","4.7352","0.0002","16.3413","0.0005","15.6208","0.0009","90","","91.454","0.004","90","","1208.34","0.09","110","2","110","2","","","","","","","see text","4","P 1 21/c 1","-P 2ybc","14","","111 GASM hydrate","","- C11 H13 N O8 -","- C11 H13 N O8 -","- C44 H52 N4 O32 -","4","1","","Kaur, Ramanpreet; Cherukuvada, Suryanarayan; Managutti, Praveen B.; Row, Tayur N. Guru","A gallic acid‒succinimide co-crystal landscape: polymorphism, pseudopolymorphism, variable stoichiometry co-crystals and concomitant growth of non-solvated and solvated co-crystals","CrystEngComm","2016","18","18","3191","","10.1039/C5CE01965F","","x-ray","0.71073","MoKα","","0.0728","0.046","","","0.0873","0.1005","","","","","","1.012","","","","has coordinates","182636","2020-10-21","18:00:00",""
"7224233","8.0698","0.0004","10.3449","0.0006","15.3908","0.001","102.993","0.005","91.11","0.005","109.434","0.005","1174.4","0.13","120","1","120","1","","","","","","","see text","4","P -1","-P 1","2","","221 GASM hydrate","","- C11 H12 N O7.5 -","- C11 H12 N O7.5 -","- C44 H48 N4 O30 -","4","2","","Kaur, Ramanpreet; Cherukuvada, Suryanarayan; Managutti, Praveen B.; Row, Tayur N. Guru","A gallic acid‒succinimide co-crystal landscape: polymorphism, pseudopolymorphism, variable stoichiometry co-crystals and concomitant growth of non-solvated and solvated co-crystals","CrystEngComm","2016","18","18","3191","","10.1039/C5CE01965F","","x-ray","0.71073","MoKα","","0.0741","0.0561","","","0.1406","0.1574","","","","","","1.06","","","","has coordinates","182636","2020-10-21","18:00:00",""
"7224234","11.4899","0.0007","13.1674","0.0007","13.3084","0.001","67.527","0.006","67.492","0.007","64.74","0.006","1623.5","0.2","110","2","110","2","","","","","","","see text","4","P -1","-P 1","2","","421 GASM hydrate","","- C15 H17 N2 O9.5 -","- C15 H17 N2 O9.5 -","- C60 H68 N8 O38 -","4","2","","Kaur, Ramanpreet; Cherukuvada, Suryanarayan; Managutti, Praveen B.; Row, Tayur N. Guru","A gallic acid‒succinimide co-crystal landscape: polymorphism, pseudopolymorphism, variable stoichiometry co-crystals and concomitant growth of non-solvated and solvated co-crystals","CrystEngComm","2016","18","18","3191","","10.1039/C5CE01965F","","x-ray","0.71073","MoKα","","0.0581","0.0441","","","0.108","0.1202","","","","","","1.053","","","","has coordinates","182636","2020-10-21","18:00:00",""
"7224235","8.2761","0.0004","11.6893","0.0006","14.7645","0.0007","108.269","0.004","97.664","0.004","101.744","0.004","1297.75","0.12","110","0.1","110","2","","","","","","","see text","4","P -1","-P 1","2","","221 GASM Act solvate","","- C12.5 H14 N O7.5 -","- C12.5 H14 N O7.5 -","- C50 H56 N4 O30 -","4","2","","Kaur, Ramanpreet; Cherukuvada, Suryanarayan; Managutti, Praveen B.; Row, Tayur N. Guru","A gallic acid‒succinimide co-crystal landscape: polymorphism, pseudopolymorphism, variable stoichiometry co-crystals and concomitant growth of non-solvated and solvated co-crystals","CrystEngComm","2016","18","18","3191","","10.1039/C5CE01965F","","x-ray","0.71073","MoKα","","0.0495","0.0404","","","0.1039","0.1106","","","","","","1.037","","","","has coordinates","182636","2020-10-21","18:00:00",""
"7224236","9.1318","0.0004","14.0453","0.0006","15.5062","0.0007","79.362","0.004","85.337","0.003","79.211","0.003","1917.82","0.15","110","2","110","2","","","","","","","see text","4","P -1","-P 1","2","","331 GASM EtOAc solvate","","- C37 H39 N3 O23 -","- C37 H39 N3 O23 -","- C74 H78 N6 O46 -","2","1","","Kaur, Ramanpreet; Cherukuvada, Suryanarayan; Managutti, Praveen B.; Row, Tayur N. Guru","A gallic acid‒succinimide co-crystal landscape: polymorphism, pseudopolymorphism, variable stoichiometry co-crystals and concomitant growth of non-solvated and solvated co-crystals","CrystEngComm","2016","18","18","3191","","10.1039/C5CE01965F","","x-ray","0.71073","MoKα","","0.1053","0.0591","","","0.1542","0.1873","","","","","","1.019","","","","has coordinates","182636","2020-10-21","18:00:00",""
"7224237","5.927","0.005","8.342","0.005","13.899","0.005","79.829","0.005","84.029","0.005","77.411","0.005","658.6","0.7","110","0.1","110","0.1","","","","","","","see text","4","P 1","P 1","1","","221 GASM THF solvate","","- C13 H15 N O7.5 -","- C13 H15 N O7.5 -","- C26 H30 N2 O15 -","2","2","","Kaur, Ramanpreet; Cherukuvada, Suryanarayan; Managutti, Praveen B.; Row, Tayur N. Guru","A gallic acid‒succinimide co-crystal landscape: polymorphism, pseudopolymorphism, variable stoichiometry co-crystals and concomitant growth of non-solvated and solvated co-crystals","CrystEngComm","2016","18","18","3191","","10.1039/C5CE01965F","","x-ray","0.71073","MoKα","","0.0558","0.0442","","","0.1071","0.1172","","","","","","1.035","","","","has coordinates","182636","2020-10-21","18:00:00",""
"7224238","9.931","0.003","10.822","0.003","16.924","0.005","95.265","0.005","98.127","0.004","92.686","0.005","1789.7","0.9","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","cis-dipyridylcalix[4]pyrrole","","- C39 H46 N6 O2 -","- C39 H46 N6 O2 -","- C78 H92 N12 O4 -","2","1","","Miyaji, Hidekazu; Kiriyama, Naoaki; Ebihara, Masahiro; Udagawa, Taro","Self-organization of dipyridylcalix[4]pyrrole into a supramolecular cage for dicarboxylates","RSC Adv.","2016","","","","","10.1039/C5RA21335E","","","0.71075","MoKα","","0.1547","0.0624","","","0.15","0.2069","","","","","","0.891","","","","has coordinates","176401","2020-10-21","18:00:00",""
"7224239","17.908","0.01","12.767","0.007","14.894","0.008","90","","102.821","0.01","90","","3320","3","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","trans-dipyridylcalix[4]pyrrole","","- C36 H40 N6 O -","- C36 H42 N6 O2 -","- C144 H168 N24 O8 -","4","0.5","","Miyaji, Hidekazu; Kiriyama, Naoaki; Ebihara, Masahiro; Udagawa, Taro","Self-organization of dipyridylcalix[4]pyrrole into a supramolecular cage for dicarboxylates","RSC Adv.","2016","","","","","10.1039/C5RA21335E","","","0.71075","MoKα","","0.1521","0.0861","","","0.1972","0.2344","","","","","","1.127","","","","has coordinates","176401","2020-10-21","18:00:00",""
"7224240","24.2602","0.0009","24.2602","","24.2602","","90","","90","","90","","14278.5","0.5","","","","","","","","","","","","2","F d -3 m :2","-F 4vw 2vw 3","227","","","","- O2 Si -","- O2 Si -","- O384 Si192 -","192","1","","Attfield, Martin; Feygenson, Mikhail; Neuefeind, Joerg C.; Proffen, Thomas E.; Hriljac, J. A.; Lucas, Timothy C.","Reprobing the mechanism of negative thermal expansion in siliceous faujasite","RSC Adv.","2016","","","","","10.1039/C5RA23827G","powder diffraction","neutron","","","","","","","","","","0.05822","","1.69","","","","","","","has coordinates","176402","2020-10-21","18:00:00",""
"7224241","24.2704","0.0009","24.2704","","24.2704","","90","","90","","90","","14296.5","0.5","","","","","","","","","","","","2","F d -3 m :2","-F 4vw 2vw 3","227","","","","- O2 Si -","- O2 Si -","- O384 Si192 -","192","1","","Attfield, Martin; Feygenson, Mikhail; Neuefeind, Joerg C.; Proffen, Thomas E.; Hriljac, J. A.; Lucas, Timothy C.","Reprobing the mechanism of negative thermal expansion in siliceous faujasite","RSC Adv.","2016","","","","","10.1039/C5RA23827G","powder diffraction","neutron","","","","","","","","","","0.06904","","1.85","","","","","","","has coordinates","176403","2020-10-21","18:00:00",""
"7224242","24.2489","0.0012","24.2489","","24.2489","","90","","90","","90","","14258.6","0.7","","","","","","","","","","","","2","F d -3 m :2","-F 4vw 2vw 3","227","","","","- O2 Si -","- O2 Si -","- O384 Si192 -","192","1","","Attfield, Martin; Feygenson, Mikhail; Neuefeind, Joerg C.; Proffen, Thomas E.; Hriljac, J. A.; Lucas, Timothy C.","Reprobing the mechanism of negative thermal expansion in siliceous faujasite","RSC Adv.","2016","","","","","10.1039/C5RA23827G","powder diffraction","neutron","","","","","","","","","","0.09953","","1.63","","","","","","","has coordinates","176404","2020-10-21","18:00:00",""
"7224243","24.2852","0.0008","24.2852","","24.2852","","90","","90","","90","","14322.7","0.5","","","","","","","","","","","","2","F d -3 m :2","-F 4vw 2vw 3","227","","","","- O2 Si -","- O2 Si -","- O384 Si192 -","192","1","","Attfield, Martin; Feygenson, Mikhail; Neuefeind, Joerg C.; Proffen, Thomas E.; Hriljac, J. A.; Lucas, Timothy C.","Reprobing the mechanism of negative thermal expansion in siliceous faujasite","RSC Adv.","2016","","","","","10.1039/C5RA23827G","powder diffraction","neutron","","","","","","","","","","0.04704","","1.99","","","","","","","has coordinates","176405","2020-10-21","18:00:00",""
"7224244","38.3937","0.0002","38.3937","0.0002","38.3937","0.0002","90","","90","","90","","56595.2","0.5","150","2","150","2","","","","","","","","7","I m -3 m","-I 4 2 3","229","","Ir-POF-1","","- C144 H72 Cl3 Ir3 N12 O64 Zr12 -","- C144 H72 Cl3 Ir3 N12 O64 Zr12 -","- C576 H288 Cl12 Ir12 N48 O256 Zr48 -","4","0.0416667","","Cui, Hao; Wang, Yingxia; Wang, Yanhu; Fan, Yan-Zhong; Zhang, Li; Su, Cheng-Yong","A stable and porous iridium(iii)-porphyrin metal‒organic framework: synthesis, structure and catalysis","CrystEngComm","2016","18","12","2203","","10.1039/C6CE00358C","","","1.54178","","","0.0919","0.0763","","","0.2396","0.2559","","","","","","1.063","","","","has coordinates","181598","2020-10-21","18:00:00",""
"7224245","8.3103","0.0003","9.0566","0.0005","20.1313","0.001","90","","90","","90","","1515.14","0.13","123","2","123","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C16 H19 Cu N5 O -","- C16 H19 Cu N5 O -","- C64 H76 Cu4 N20 O4 -","4","1","","shaw, Bikash kumar; Das, Mithun; Bhattacharyya, Anik; Ghosh, Biswa Nath; Roy, Susmita; Mandal, Prabhat; Rissanen, Kari; Chattopadhyay, Shouvik; saha, Shyamal Kumar","Field-induced Ferromagnetism due to Magneto-striction in 1-D helical chain","RSC Adv.","2016","","","","","10.1039/C5RA27040E","","","0.71073","MoKα","","0.0561","0.0439","","","0.0821","0.0862","","","","","","1.074","","","","has coordinates","176425","2020-10-21","18:00:00",""
"7224246","6.9439","0.0002","7.7514","0.0002","27.556","0.0008","90","","90","","90","","1483.2","0.07","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C16 H17 Cu N3 O2 -","- C16 H17 Cu N3 O2 -","- C64 H68 Cu4 N12 O8 -","4","1","","shaw, Bikash kumar; Das, Mithun; Bhattacharyya, Anik; Ghosh, Biswa Nath; Roy, Susmita; Mandal, Prabhat; Rissanen, Kari; Chattopadhyay, Shouvik; saha, Shyamal Kumar","Field-induced Ferromagnetism due to Magneto-striction in 1-D helical chain","RSC Adv.","2016","","","","","10.1039/C5RA27040E","","","0.71073","MoKα","","0.0261","0.0243","","","0.0592","0.0605","","","","","","1.074","","","","has coordinates","176425","2020-10-21","18:00:00",""
"7224247","8.385","0.002","9.168","0.003","20.215","0.006","90","","90","","90","","1554","0.8","123","2","123","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C16 H19 Cu N5 O -","- C16 H19 Cu N5 O -","- C64 H76 Cu4 N20 O4 -","4","1","","shaw, Bikash kumar; Das, Mithun; Bhattacharyya, Anik; Ghosh, Biswa Nath; Roy, Susmita; Mandal, Prabhat; Rissanen, Kari; Chattopadhyay, Shouvik; saha, Shyamal Kumar","Field-induced Ferromagnetism due to Magneto-striction in 1-D helical chain","RSC Adv.","2016","","","","","10.1039/C5RA27040E","","","0.71073","MoKα","","0.0314","0.0277","","","0.0665","0.0684","","","","","","1.049","","","","has coordinates","176425","2020-10-21","18:00:00",""
"7224248","8.3537","0.0003","9.1463","0.0004","20.1898","0.0008","90","","90","","90","","1542.61","0.11","123","2","123","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C16 H19 Cu N5 O -","- C16 H19 Cu N5 O -","- C64 H76 Cu4 N20 O4 -","4","1","","shaw, Bikash kumar; Das, Mithun; Bhattacharyya, Anik; Ghosh, Biswa Nath; Roy, Susmita; Mandal, Prabhat; Rissanen, Kari; Chattopadhyay, Shouvik; saha, Shyamal Kumar","Field-induced Ferromagnetism due to Magneto-striction in 1-D helical chain","RSC Adv.","2016","","","","","10.1039/C5RA27040E","","","0.71073","MoKα","","0.0438","0.0333","","","0.0734","0.0779","","","","","","1.006","","","","has coordinates","176425","2020-10-21","18:00:00",""
"7224249","8.3629","0.0015","9.1293","0.0017","20.174","0.004","90","","90","","90","","1540.2","0.5","123","2","123","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C16 H19 Cu N5 O -","- C16 H19 Cu N5 O -","- C64 H76 Cu4 N20 O4 -","4","1","","shaw, Bikash kumar; Das, Mithun; Bhattacharyya, Anik; Ghosh, Biswa Nath; Roy, Susmita; Mandal, Prabhat; Rissanen, Kari; Chattopadhyay, Shouvik; saha, Shyamal Kumar","Field-induced Ferromagnetism due to Magneto-striction in 1-D helical chain","RSC Adv.","2016","","","","","10.1039/C5RA27040E","","","0.71073","MoKα","","0.0306","0.0261","","","0.0641","0.0661","","","","","","1.023","","","","has coordinates","176425","2020-10-21","18:00:00",""
"7224250","7.032","0.012","7.827","0.014","27.76","0.05","90","","90","","90","","1528","5","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C16 H17 Cu N3 O2 -","- C16 H17 Cu N3 O2 -","- C64 H68 Cu4 N12 O8 -","4","1","","shaw, Bikash kumar; Das, Mithun; Bhattacharyya, Anik; Ghosh, Biswa Nath; Roy, Susmita; Mandal, Prabhat; Rissanen, Kari; Chattopadhyay, Shouvik; saha, Shyamal Kumar","Field-induced Ferromagnetism due to Magneto-striction in 1-D helical chain","RSC Adv.","2016","","","","","10.1039/C5RA27040E","","","0.71073","MoKα","","0.0331","0.0273","","","0.0745","0.0894","","","","","","0.856","","","","has coordinates","176425","2020-10-21","18:00:00",""
"7224251","13.629","0.003","19.851","0.004","19.143","0.004","90","","96.5","0.03","90","","5145.8","1.9","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C53 H79 La N2 O6 -","- C53 H79 La N2 O6 -","- C212 H316 La4 N8 O24 -","4","1","","Zhou, Yanxu; Shen, Yingzhong; Zhao, Jing; Wang, Yulong; Peng, Ling; Tao, Xian","Heteroleptic lanthanide amides complexes bearing carbon-bridged bis(phenolate) ligands: synthesis, structure and their application in the polymerization of ε-caprolactone","RSC Adv.","2016","","","","","10.1039/C5RA23520K","","","0.71073","MoKα","","0.0338","0.0301","","","0.0722","0.0757","","","","","","1.047","","","","has coordinates,has disorder","176426","2020-10-21","18:00:00",""
"7224252","13.348","0.002","14.064","0.003","16.293","0.003","75.129","0.002","69.752","0.002","62.759","0.002","2533.6","0.8","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C47 H67 Gd N2 O6 -","- C47 H67 Gd N2 O6 -","- C94 H134 Gd2 N4 O12 -","2","1","","Zhou, Yanxu; Shen, Yingzhong; Zhao, Jing; Wang, Yulong; Peng, Ling; Tao, Xian","Heteroleptic lanthanide amides complexes bearing carbon-bridged bis(phenolate) ligands: synthesis, structure and their application in the polymerization of ε-caprolactone","RSC Adv.","2016","","","","","10.1039/C5RA23520K","","","0.71073","MoKα","","0.0735","0.0594","","","0.1948","0.2048","","","","","","1.051","","","","has coordinates,has disorder","176426","2020-10-21","18:00:00",""
"7224253","13.336","0.002","14.166","0.003","16.34","0.003","75.288","0.002","70.091","0.002","63.392","0.002","2576.1","0.8","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C47 H67 La N2 O6 -","- C47 H67 La N2 O6 -","- C94 H134 La2 N4 O12 -","2","1","","Zhou, Yanxu; Shen, Yingzhong; Zhao, Jing; Wang, Yulong; Peng, Ling; Tao, Xian","Heteroleptic lanthanide amides complexes bearing carbon-bridged bis(phenolate) ligands: synthesis, structure and their application in the polymerization of ε-caprolactone","RSC Adv.","2016","","","","","10.1039/C5RA23520K","","","0.71073","MoKα","","0.0736","0.0637","","","0.2101","0.2207","","","","","","1.119","","","","has coordinates,has disorder","176426","2020-10-21","18:00:00",""
"7224254","13.74","0.002","20.389","0.004","18.914","0.003","90","","97.246","0.002","90","","5256.3","1.5","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C53 H79 Gd N2 O6 -","- C53 H79 Gd N2 O6 -","- C212 H316 Gd4 N8 O24 -","4","1","","Zhou, Yanxu; Shen, Yingzhong; Zhao, Jing; Wang, Yulong; Peng, Ling; Tao, Xian","Heteroleptic lanthanide amides complexes bearing carbon-bridged bis(phenolate) ligands: synthesis, structure and their application in the polymerization of ε-caprolactone","RSC Adv.","2016","","","","","10.1039/C5RA23520K","","","0.71073","MoKα","","0.0439","0.0313","","","0.0751","0.0797","","","","","","1.029","","","","has coordinates,has disorder","176426","2020-10-21","18:00:00",""
"7224255","8.813","0.002","23.763","0.005","14.62","0.003","90","","91.91","0.02","90","","3060.1","1.1","103","2","103","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C55 H48 I6 N10 O9 Zn2 -","- C55 H48 I6 N10 O9 Zn2 -","- C110 H96 I12 N20 O18 Zn4 -","2","0.5","","Fernandez-Palacio, Francisco; Saccone, Marco; Priimagi, Arri; Terraneo, Giancarlo; Pilati, Tullio; Metrangolo, Pierangelo; Resnati, Giuseppe","Coordination networks incorporating halogen-bond donor sites and azobenzene groups","CrystEngComm","2016","18","13","2251","","10.1039/C6CE00059B","","","0.71073","MoKα","","0.0772","0.0493","","","0.1041","0.1149","","","","","","1.04","","","","has coordinates,has disorder","181591","2020-10-21","18:00:00",""
"7224256","24.0554","0.0018","11.3346","0.0009","22.9563","0.0018","90","","98.893","0.008","90","","6184","0.8","103","2","103","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C58 H52 I6 N12 O10 Zn -","- C58 H52 I6 N12 O10 Zn -","- C232 H208 I24 N48 O40 Zn4 -","4","0.5","","Fernandez-Palacio, Francisco; Saccone, Marco; Priimagi, Arri; Terraneo, Giancarlo; Pilati, Tullio; Metrangolo, Pierangelo; Resnati, Giuseppe","Coordination networks incorporating halogen-bond donor sites and azobenzene groups","CrystEngComm","2016","18","13","2251","","10.1039/C6CE00059B","","","0.71073","MoKα","","0.0626","0.0475","","","0.1215","0.1298","","","","","","1.037","","","","has coordinates,has disorder","181591","2020-10-21","18:00:00",""
"7224257","10.1389","0.0005","14.9139","0.0008","23.1236","0.0012","90","","95.194","0.002","90","","3482.2","0.3","103","2","103","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C33.42 H35.65 N6.81 O5.81 Zn -","- C33.421 H35.649 N6.807 O5.807 Zn -","- C133.684 H142.596 N27.228 O23.228 Zn4 -","4","1","","Fernandez-Palacio, Francisco; Saccone, Marco; Priimagi, Arri; Terraneo, Giancarlo; Pilati, Tullio; Metrangolo, Pierangelo; Resnati, Giuseppe","Coordination networks incorporating halogen-bond donor sites and azobenzene groups","CrystEngComm","2016","18","13","2251","","10.1039/C6CE00059B","","","0.71073","MoKα","","0.1145","0.0789","","","0.2271","0.2566","","","","","","1.057","","","","has coordinates,has disorder","181591","2020-10-21","18:00:00",""
"7224258","19.4674","0.0004","5.92693","0.00011","31.1266","0.0007","90","","90","","90","","3591.45","0.13","223","2","223","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C32 H32 O23 Zn3 -","- C32 H32 O23 Zn3 -","- C128 H128 O92 Zn12 -","4","1","","Ohtani, Masataka; Takase, Kazutaka; Wang, Pengyu; Higashi, Kouki; Ueno, Kimiyoshi; Yasuda, Nobuhiro; Sugimoto, Kunihisa; Furuta, Mamoru; Kobiro, Kazuya","Water-triggered macroscopic structural transformation of a metal‒organic framework","CrystEngComm","2016","18","11","1866","","10.1039/C6CE00031B","","","0.78202","Synchrotron","","0.0319","0.0287","","","0.0658","0.0682","","","","","","1.069","","","","has coordinates,has disorder","181609","2020-10-21","18:00:00",""
"7224259","8.4523","0.0008","11.6846","0.0012","27.114","0.003","90","","91.952","0.004","90","","2676.3","0.5","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Mercury thiocyanate complex(zohori-(tez-Masoudi)","","- C24 H23 Hg N7 O4 S2 -","- C24 H23 Hg N7 O4 S2 -","- C96 H92 Hg4 N28 O16 S8 -","4","1","","Montazerozohori, Morteza; Masoudiasl, Ardavan; Doert, Thomas; Seykens, Heidi","Structural and computational study of some new nano-structured Hg(II) compounds: a combined X-ray, Hirshfeld Surface and NBO analyses","RSC Adv.","2016","","","","","10.1039/C5RA22899A","","","0.71073","MoKα","","0.0916","0.0822","","","0.2136","0.2204","","","","","","1.166","","","","has coordinates,has disorder","176463","2020-10-21","18:00:00",""
"7224260","7.1329","0.0003","7.3046","0.0003","14.7198","0.0007","97.922","0.002","97.425","0.002","117.095","0.0018","660.03","0.05","173","2","173","2","","","","","","","","6","P 1","P 1","1","","Mercury Iodide complex(zohori-Tez-Masoudi)","","- C22 H23 Hg I2 N5 O4 -","- C22 H23 Hg I2 N5 O4 -","- C22 H23 Hg I2 N5 O4 -","1","1","","Montazerozohori, Morteza; Masoudiasl, Ardavan; Doert, Thomas; Seykens, Heidi","Structural and computational study of some new nano-structured Hg(II) compounds: a combined X-ray, Hirshfeld Surface and NBO analyses","RSC Adv.","2016","","","","","10.1039/C5RA22899A","","","0.71073","MoKα","","0.0359","0.0326","","","0.0767","0.0778","","","","","","1.004","","","","has coordinates","176463","2020-10-21","18:00:00",""
"7224261","9.307","0.0003","16.5482","0.0005","32.8832","0.0009","90","","90","","90","","5064.5","0.3","293","2","293","","","","","","","","","4","P b c a","-P 2ac 2ab","61","Acridine","9,9-dimethyl-2-nitro-9,10-dihydroacridine","","- C15 H14 N2 O2 -","- C15 H14 N2 O2 -","- C240 H224 N32 O32 -","16","2","","Gedu, Satyanarayana; Lodi, Mahendar","Copper Catalyzed Coupling of Protecting Group Free and Sterically Hindered 2-Bromobenzyl Tertiary Alcohols with Phenols and Anilines: Facile Synthesis of Xanthenes and Dihydroacridines","RSC Adv.","2016","","","","","10.1039/C6RA03447K","","","1.54184","CuKα","","0.0611","0.0485","","","0.1289","0.1424","","","","","","1.0667","","","","has coordinates","176464","2020-10-21","18:00:00",""
"7224262","20.6263","0.0007","20.6263","0.0007","8.4471","0.0003","90","","90","","120","","3112.3","0.19","293","2","293","2","","","","","","","","3","P 31","P 31","144","xanthene","12,12-dimethyl-12H-benzo[a]xanthene","","- C19 H16 O -","- C19 H16 O -","- C171 H144 O9 -","9","3","","Gedu, Satyanarayana; Lodi, Mahendar","Copper Catalyzed Coupling of Protecting Group Free and Sterically Hindered 2-Bromobenzyl Tertiary Alcohols with Phenols and Anilines: Facile Synthesis of Xanthenes and Dihydroacridines","RSC Adv.","2016","","","","","10.1039/C6RA03447K","","","1.5418","CuKα","","0.0531","0.0468","","","0.1114","0.1202","","","","","","1.057","","","","has coordinates","176464","2020-10-21","18:00:00",""
"7224263","14.3465","0.0007","22.44","0.0011","19.3715","0.0011","90","","92.822","0.004","90","","6228.8","0.6","300","","300","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C14 H30 B16 Co2 N2 O10 -","- C14 H30 B16 Co2 N2 O10 -","- C112 H240 B128 Co16 N16 O80 -","8","1","","Boldog, Ishtvan; Bereciartua, Pablo J.; Bulánek, Roman; Kučeráková, Monika; Tomandlová, Markéta; Dušek, Michal; Macháček, Jan; De Vos, Dirk; Baše, Tomáš","10-Vertex closo-carborane: a unique ligand platform for porous coordination polymers","CrystEngComm","2016","18","12","2036","","10.1039/C5CE02501J","","x-ray","1.5418","CuKα","","0.1386","0.0809","","","0.1916","0.2055","","","","2.91","2.91","2.22","","","","has coordinates","288070","2023-12-06","12:58:05",""
"7224264","31.1622","0.0012","31.1622","0.0012","11.1615","0.0005","90","","90","","90","","10838.7","0.8","299","1","299","","","","","","","","","5","I 41 m d","I 4bw -2","109","","","","- C11 H16 B16 Cu2 O11.4 -","- C11 H16 B16 Cu2 O11.4 -","- C88 H128 B128 Cu16 O91.2 -","8","0.5","","Boldog, Ishtvan; Bereciartua, Pablo J.; Bulánek, Roman; Kučeráková, Monika; Tomandlová, Markéta; Dušek, Michal; Macháček, Jan; De Vos, Dirk; Baše, Tomáš","10-Vertex closo-carborane: a unique ligand platform for porous coordination polymers","CrystEngComm","2016","18","12","2036","","10.1039/C5CE02501J","","x-ray","1.5418","CuKα","","0.1049","0.0928","","","0.1924","0.1945","","","","4.53","4.53","4.16","","","","has coordinates","181597","2020-10-21","18:00:00",""
"7224265","20.8189","0.0004","23.3745","0.0005","12.7036","0.0003","90","","90","","90","","6182","0.2","150","0.1","150","","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C27.512 H58.127 B24 N3.102 O16.102 Zn4 -","- C27.515 H58.133 B24 N3.103 O16.103 Zn4 -","- C110.06 H232.532 B96 N12.412 O64.412 Zn16 -","4","1","","Boldog, Ishtvan; Bereciartua, Pablo J.; Bulánek, Roman; Kučeráková, Monika; Tomandlová, Markéta; Dušek, Michal; Macháček, Jan; De Vos, Dirk; Baše, Tomáš","10-Vertex closo-carborane: a unique ligand platform for porous coordination polymers","CrystEngComm","2016","18","12","2036","","10.1039/C5CE02501J","","x-ray","1.5418","CuKα","","0.0669","0.0617","","","0.1634","0.1675","","","","2.7","2.7","2.65","","","","has coordinates","288070","2023-12-06","12:58:11",""
"7224266","27.62","0.06","13.15","0.03","7.699","0.015","90","","92.16","0.03","90","","2794","10","100","2","100","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C28 H26 Cu N O8 -","- C28 H26 Cu N O8 -","- C112 H104 Cu4 N4 O32 -","4","1","","Tanaka, Koichi; Muraoka, Toshihide; Otsubo, Yasuhiro; Takahashi, Hiroki; Ohnish, Atsushi","HPLC Enantioseparation on Homochiral MOF-Silica Composite as a Novel Chiral Stationary Phase","RSC Adv.","2016","","","","","10.1039/C5RA26520G","","","0.71075","MoKα","","0.1377","0.0838","","","0.2004","0.2592","","","","","","0.992","","","","has coordinates","176498","2020-10-21","18:00:00",""
"7224267","9.845","0.003","22.697","0.006","15.055","0.004","90","","90","","90","","3364.1","1.6","100","2","100","2","","","","","","","","5","C 2 2 21","C 2c 2","20","","","","- C30 H32 N4 O10 Zn -","- C30 H32 N4 O10 Zn -","- C120 H128 N16 O40 Zn4 -","4","0.5","","Tanaka, Koichi; Muraoka, Toshihide; Otsubo, Yasuhiro; Takahashi, Hiroki; Ohnish, Atsushi","HPLC Enantioseparation on Homochiral MOF-Silica Composite as a Novel Chiral Stationary Phase","RSC Adv.","2016","","","","","10.1039/C5RA26520G","","","0.71075","MoKα","","0.0333","0.028","","","0.0538","0.0548","","","","","","0.859","","","","has coordinates,has disorder","176499","2020-10-21","18:00:00",""
"7224268","14.638","0.002","10.8203","0.0017","21.055","0.003","90","","103.524","0.002","90","","3242.4","0.8","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C33 H34 Cl2 N2 O2 Pd -","- C33 H32 Cl2 N2 O2 Pd -","- C132 H128 Cl8 N8 O8 Pd4 -","4","1","","tian, jianwen; He, Xiaohui; Liu, Jingyin; Deng, Xiaodan; Chen, Defu","Palladium(II) and copper(II) chloride complexes bearing bulky α-diimine ligands as catalysts for norbornene vinyl-addition (co)polymerization","RSC Adv.","2016","","","","","10.1039/C5RA23970B","","","0.71073","MoKα","","0.0586","0.0478","","","0.132","0.1455","","","","","","1.119","","","","has coordinates","176500","2020-10-21","18:00:00",""
"7224269","22.5512","0.0015","10.857","0.0007","17.8588","0.0012","90","","122.115","0.001","90","","3703.4","0.4","296","2","296","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C40 H44 Cl2 N2 Pd -","- C40 H44 Cl2 N2 Pd -","- C160 H176 Cl8 N8 Pd4 -","4","1","","tian, jianwen; He, Xiaohui; Liu, Jingyin; Deng, Xiaodan; Chen, Defu","Palladium(II) and copper(II) chloride complexes bearing bulky α-diimine ligands as catalysts for norbornene vinyl-addition (co)polymerization","RSC Adv.","2016","","","","","10.1039/C5RA23970B","","","0.71073","MoKα","","0.0283","0.0243","","","0.0589","0.0616","","","","","","1.011","","","","has coordinates","176500","2020-10-21","18:00:00",""
"7224270","17.819","0.002","16.0039","0.0018","19.235","0.002","90","","90","","90","","5485.3","1","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C32 H28 Cl2 Cu N2 -","- C32 H28 Cl2 Cu N2 -","- C256 H224 Cl16 Cu8 N16 -","8","1","","tian, jianwen; He, Xiaohui; Liu, Jingyin; Deng, Xiaodan; Chen, Defu","Palladium(II) and copper(II) chloride complexes bearing bulky α-diimine ligands as catalysts for norbornene vinyl-addition (co)polymerization","RSC Adv.","2016","","","","","10.1039/C5RA23970B","","","0.71073","MoKα","","0.0723","0.0423","","","0.0958","0.1105","","","","","","1.085","","","","has coordinates","176500","2020-10-21","18:00:00",""
"7224271","12.373","0.002","16.272","0.003","19.788","0.004","90","","99.265","0.003","90","","3932","1.2","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C41 H46 Cl4 Cu N2 -","- C41 H46 Cl4 Cu N2 -","- C164 H184 Cl16 Cu4 N8 -","4","2","","tian, jianwen; He, Xiaohui; Liu, Jingyin; Deng, Xiaodan; Chen, Defu","Palladium(II) and copper(II) chloride complexes bearing bulky α-diimine ligands as catalysts for norbornene vinyl-addition (co)polymerization","RSC Adv.","2016","","","","","10.1039/C5RA23970B","","","0.71073","MoKα","","0.1533","0.0691","","","0.1408","0.18","","","","","","0.966","","","","has coordinates","182989","2020-10-21","18:00:00",""
"7224272","9.394","0.003","13.133","0.004","13.181","0.005","94.687","0.006","109.956","0.007","92.579","0.004","1518.8","0.9","173.15","","173.15","","","","","","","","","6","P -1","-P 1","2","","","","- C35 H30 Cl N3 O2 S -","- C35 H30 Cl N3 O2 S -","- C70 H60 Cl2 N6 O4 S2 -","2","1","","Li, Ming; Sun, Ke-Na; Wen, Li-Rong","Acid-promoted rapid solvent-free access to substituted 1,4-dihydropyridines from β-ketothioamides","RSC Adv.","2016","","","","","10.1039/C5RA26931H","","","0.71073","MoKα","","0.1051","0.0971","","","0.2392","0.2448","","","","","","1.134","","","","has coordinates","176501","2020-10-21","18:00:00",""
"7224273","8.898","0.004","11.774","0.006","12.676","0.007","80.45","0.04","81.87","0.04","89.64","0.04","1296.2","1.2","298","","298","","","","","","","","see text","4","P -1","-P 1","2","","","","- C29 H26 N6 O2 -","- C29 H26 N6 O2 -","- C58 H52 N12 O4 -","2","1","","Imani Shakibaei, Ghazaleh; Bazgir, Ayoob","A highly efficient one-pot synthesis of indenopyridine-fused spirocyclic systems","RSC Adv.","2016","","","","","10.1039/C6RA00869K","","x-ray","0.71073","MoKα","","0.2332","0.1464","","","0.3138","0.3672","","","","","","1.109","","","","has coordinates","211179","2020-10-21","18:00:00",""
"7224274","8.0008","0.0011","11.6372","0.0018","12.3753","0.0018","87.946","0.012","72.447","0.011","85.708","0.012","1095.4","0.3","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","","","- C26 H16 N6 O2 -","- C26 H16 N6 O2 -","- C52 H32 N12 O4 -","2","1","","Imani Shakibaei, Ghazaleh; Bazgir, Ayoob","A highly efficient one-pot synthesis of indenopyridine-fused spirocyclic systems","RSC Adv.","2016","","","","","10.1039/C6RA00869K","","","0.71073","MoKα","","0.2178","0.0955","","","0.1727","0.2158","","","","","","1.038","","","","has coordinates","176502","2020-10-21","18:00:00",""
"7224275","8.5334","0.0005","10.8799","0.0007","12.6877","0.0008","69.923","0.002","79.961","0.002","84.106","0.002","1088.27","0.12","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C25 H25 N2 O2 -","- C25 H28 N2 O2 -","- C50 H56 N4 O4 -","2","1","","Pramanik, Animesh; Debnath, Kamalesh; Mukherjee, Sayan; Bodhak, Chandan","Facile one-pot three-component synthesis of diverse 2,3-disubstituted isoindolin-1-ones using ZrO2 nanoparticles as a reusable dual acid-base solid support under solvent-free conditions","RSC Adv.","2016","","","","","10.1039/C6RA00870D","","","0.71073","MoKα","","0.0986","0.0571","","","0.1887","0.2438","","","","","","0.836","","","","has coordinates","176503","2020-10-21","18:00:00",""
"7224276","11.293","0.002","12.118","0.002","14.03","0.003","90","","97.621","0.008","90","","1903","0.6","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C21 H19 F N4 O4 -","- C21 H19 F N4 O4 -","- C84 H76 F4 N16 O16 -","4","1","","Pramanik, Animesh; Debnath, Kamalesh; Mukherjee, Sayan; Bodhak, Chandan","Facile one-pot three-component synthesis of diverse 2,3-disubstituted isoindolin-1-ones using ZrO2 nanoparticles as a reusable dual acid-base solid support under solvent-free conditions","RSC Adv.","2016","","","","","10.1039/C6RA00870D","","","0.71073","MoKα","","0.096","0.0702","","","0.1378","0.149","","","","","","0.982","","","","has coordinates","176503","2020-10-21","18:00:00",""
"7224277","20.901","0.0008","9.7122","0.0004","25.5412","0.0016","90","","99.292","0.005","90","","5116.7","0.4","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C42 H24 Co Eu N6 O25 -","- C42 H24 Co Eu N6 O25 -","- C168 H96 Co4 Eu4 N24 O100 -","4","1","","Kumar, Gulshan; Kumar, Girijesh; Gupta, Rajeev","Lanthanide-based coordination polymers as the promising heterogeneous catalysts for ring-opening reactions","RSC Adv.","2016","","","","","10.1039/C5RA26283F","","","0.71073","MoKα","","0.0537","0.0442","","","0.1093","0.1142","","","","","","1.063","","","","has coordinates,has disorder","176504","2020-10-21","18:00:00",""
"7224278","11.4727","0.0012","15.695","0.002","17.302","0.002","63.879","0.013","79.754","0.01","82.5","0.01","2747.9","0.6","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C84 H52 Co2 N12 O58 Tb2 -","- C84 H52 Co2 N12 O58 Tb2 -","- C84 H52 Co2 N12 O58 Tb2 -","1","0.5","","Kumar, Gulshan; Kumar, Girijesh; Gupta, Rajeev","Lanthanide-based coordination polymers as the promising heterogeneous catalysts for ring-opening reactions","RSC Adv.","2016","","","","","10.1039/C5RA26283F","","","0.71073","MoKα","","0.1473","0.0783","","","0.1372","0.1667","","","","","","0.958","","","","has coordinates,has disorder","176504","2020-10-21","18:00:00",""
"7224279","21.638","0.005","20.983","0.005","12.364","0.005","90","","90","","90","","5614","3","100","1","100","1","","","","","","","","5","P n n a","-P 2a 2bc","52","","","","- C26 H18 Co N4 O5 -","- C26 H18 Co N4 O5 -","- C208 H144 Co8 N32 O40 -","8","1","","Pal, Arun; Chand, Santanu; Senthilkumar, S.; Neogi, Subhadip; Das, Madhab C.","Structural variation of transition metal coordination polymers based on bent carboxylate and flexible spacer ligand: polymorphism, gas adsorption and SC-SC transmetallation","CrystEngComm","2016","18","23","4323","","10.1039/C6CE00151C","","","0.71069","MoKα","","0.0843","0.0569","","","0.15","0.1727","","","","","","1.019","","","","has coordinates","185287","2020-10-21","18:00:00",""
"7224280","14.556","0.005","12.648","0.005","17.312","0.005","90","","110.84","0.005","90","","2978.7","1.8","100","1","100","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C29 H25 Co N5 O6 -","- C29 H25 Co N5 O6 -","- C116 H100 Co4 N20 O24 -","4","1","","Pal, Arun; Chand, Santanu; Senthilkumar, S.; Neogi, Subhadip; Das, Madhab C.","Structural variation of transition metal coordination polymers based on bent carboxylate and flexible spacer ligand: polymorphism, gas adsorption and SC-SC transmetallation","CrystEngComm","2016","18","23","4323","","10.1039/C6CE00151C","","","0.71069","MoKα","","0.0884","0.0728","","","0.2205","0.2355","","","","","","1.039","","","","has coordinates","185287","2020-10-21","18:00:00",""
"7224281","10.284","0.005","19.302","0.005","11.701","0.005","90","","102.472","0.005","90","","2267.9","1.6","100","1","100","1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C26 H18 N4 O5 Zn -","- C26 H18 N4 O5 Zn -","- C104 H72 N16 O20 Zn4 -","4","0.5","","Pal, Arun; Chand, Santanu; Senthilkumar, S.; Neogi, Subhadip; Das, Madhab C.","Structural variation of transition metal coordination polymers based on bent carboxylate and flexible spacer ligand: polymorphism, gas adsorption and SC-SC transmetallation","CrystEngComm","2016","18","23","4323","","10.1039/C6CE00151C","","","0.71069","MoKα","","0.0366","0.0328","","","0.0897","0.0922","","","","","","1.098","","","","has coordinates","185287","2020-10-21","18:00:00",""
"7224282","14.298","0.005","12.999","0.005","16.979","0.005","90","","108.28","0.005","90","","2996.5","1.8","100","1","100","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C29 H25 Cd N5 O6 -","- C29 H25 Cd N5 O6 -","- C116 H100 Cd4 N20 O24 -","4","1","","Pal, Arun; Chand, Santanu; Senthilkumar, S.; Neogi, Subhadip; Das, Madhab C.","Structural variation of transition metal coordination polymers based on bent carboxylate and flexible spacer ligand: polymorphism, gas adsorption and SC-SC transmetallation","CrystEngComm","2016","18","23","4323","","10.1039/C6CE00151C","","","0.71069","MoKα","","0.0638","0.0556","","","0.1573","0.1641","","","","","","1.04","","","","has coordinates","185287","2020-10-21","18:00:00",""
"7224283","14.261","0.005","13.024","0.005","17.038","0.005","90","","108.197","0.005","90","","3006.3","1.8","100","1","100","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C31 H29 Cd N5 O6 -","- C31 H29 Cd N5 O6 -","- C124 H116 Cd4 N20 O24 -","4","1","","Pal, Arun; Chand, Santanu; Senthilkumar, S.; Neogi, Subhadip; Das, Madhab C.","Structural variation of transition metal coordination polymers based on bent carboxylate and flexible spacer ligand: polymorphism, gas adsorption and SC-SC transmetallation","CrystEngComm","2016","18","23","4323","","10.1039/C6CE00151C","","","0.71069","MoKα","","0.0508","0.0357","","","0.0847","0.0929","","","","","","1.036","","","","has coordinates","185287","2020-10-21","18:00:00",""
"7224284","14.499","0.005","12.841","0.005","16.771","0.005","90","","108.244","0.005","90","","2965.5","1.8","100","1","100","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C30 H27 Cd N5 O6 -","- C30 H27 Cd N5 O6 -","- C120 H108 Cd4 N20 O24 -","4","1","","Pal, Arun; Chand, Santanu; Senthilkumar, S.; Neogi, Subhadip; Das, Madhab C.","Structural variation of transition metal coordination polymers based on bent carboxylate and flexible spacer ligand: polymorphism, gas adsorption and SC-SC transmetallation","CrystEngComm","2016","18","23","4323","","10.1039/C6CE00151C","","","0.71069","MoKα","","0.0818","0.0561","","","0.1355","0.1537","","","","","","1.073","","","","has coordinates","185287","2020-10-21","18:00:00",""
"7224285","14.268","0.005","12.993","0.005","16.902","0.005","90","","107.945","0.005","90","","2980.9","1.8","100","1","100","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C29 H25 Cu N5 O6 -","- C29 H25 Cu N5 O6 -","- C116 H100 Cu4 N20 O24 -","4","1","","Pal, Arun; Chand, Santanu; Senthilkumar, S.; Neogi, Subhadip; Das, Madhab C.","Structural variation of transition metal coordination polymers based on bent carboxylate and flexible spacer ligand: polymorphism, gas adsorption and SC-SC transmetallation","CrystEngComm","2016","18","23","4323","","10.1039/C6CE00151C","","","0.71069","MoKα","","0.1009","0.0781","","","0.1844","0.2284","","","","","","1.05","","","","has coordinates","185287","2020-10-21","18:00:00",""
"7224286","12.713","0.016","8.649","0.011","15.231","0.019","90","","103.798","0.015","90","","1626","4","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H19 N O4 -","- C18 H19 N O4 -","- C72 H76 N4 O16 -","4","1","","Ramos, Rafael Rodrigues; da Silva, Cameron Capeletti; Guimarães, Freddy Fernandes; Martins, Felipe Terra","Polymorphism and conformerism in chalcones","CrystEngComm","2016","18","12","2144","","10.1039/C5CE02591E","","","0.71073","MoKα","","0.0618","0.0402","","","0.1019","0.1168","","","","","","1.03","","","","has coordinates","181600","2020-10-21","18:00:00",""
"7224287","11.62","0.003","13.232","0.003","13.981","0.003","105.776","0.001","90.626","0.002","112.721","0.001","1891.8","0.8","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","","","- C15 H11 N O4 -","- C15 H11 N O4 -","- C90 H66 N6 O24 -","6","3","","Ramos, Rafael Rodrigues; da Silva, Cameron Capeletti; Guimarães, Freddy Fernandes; Martins, Felipe Terra","Polymorphism and conformerism in chalcones","CrystEngComm","2016","18","12","2144","","10.1039/C5CE02591E","","","0.71073","MoKα","","0.1091","0.0627","","","0.1675","0.1936","","","","","","1.05","","","","has coordinates","181600","2020-10-21","18:00:00",""
"7224288","8.7874","0.0003","12.0308","0.0007","13.8215","0.0008","90","","104.964","0.003","90","","1411.65","0.13","296","2","296","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","9,10-Diphenylanthracene 1,1,2,2-tetrachloroethane solvate","","- C30 H22 Cl8 -","- C30 H22 Cl8 -","- C60 H44 Cl16 -","2","0.5","","Fabbiani, Francesca P. A.; Bergantin, Stefano; Gavezzotti, Angelo; Rizzato, Silvia; Moret, Massimo","X-ray diffraction and computational studies of the pressure-dependent tetrachloroethane solvation of diphenylanthracene","CrystEngComm","2016","18","12","2173","","10.1039/C6CE00055J","","","0.71073","MoKα","","0.0738","0.0515","","","0.1201","0.1314","","","","","","1.062","","","","has coordinates","181601","2020-10-21","18:00:00",""
"7224289","10.4702","0.0009","13.3923","0.001","12.0158","0.0011","90","","89.931","0.008","90","","1684.9","0.2","296","2","296","2","","","","","","","","2","C 1 2/c 1","-C 2yc","15","","9,10-Diphenylanthracene","","- C26 H18 -","- C26 H18 -","- C104 H72 -","4","0.5","","Fabbiani, Francesca P. A.; Bergantin, Stefano; Gavezzotti, Angelo; Rizzato, Silvia; Moret, Massimo","X-ray diffraction and computational studies of the pressure-dependent tetrachloroethane solvation of diphenylanthracene","CrystEngComm","2016","18","12","2173","","10.1039/C6CE00055J","","","0.71073","MoKα","","0.0485","0.0365","","","0.0876","0.0954","","","","","","1.101","","","","has coordinates","181601","2020-10-21","18:00:00",""
"7224290","10.041","0.002","13.15","0.002","11.378","0.002","90","","88.483","0.017","90","","1501.8","0.5","296","2","296","2","","","","","","","","2","C 1 2/c 1","-C 2yc","15","","9,10-Diphenylanthracene","","- C26 H18 -","- C26 H18 -","- C104 H72 -","4","0.5","","Fabbiani, Francesca P. A.; Bergantin, Stefano; Gavezzotti, Angelo; Rizzato, Silvia; Moret, Massimo","X-ray diffraction and computational studies of the pressure-dependent tetrachloroethane solvation of diphenylanthracene","CrystEngComm","2016","18","12","2173","","10.1039/C6CE00055J","","","0.71073","MoKα","","0.0816","0.0528","","","0.1294","0.1475","","","","","","1.058","","","","has coordinates","181601","2020-10-21","18:00:00",""
"7224291","22.1305","0.0004","5.90728","0.00009","33.8663","0.0006","90","","106.709","0.0018","90","","4240.45","0.13","293","2","293.15","","","","","","","","","2","P 1 2/c 1","-P 2yc","13","","","","- C30 H22 -","- C30 H22 -","- C240 H176 -","8","2","","Li, Ye-Xin; Yang, Xiao-Feng; Miao, Jin-Ling; Zhang, Zhen-Wei; Sun, Guo-Xin","Effects of substitution position on crystal packing, polymorphism and crystallization-induced emission of (9-anthryl)vinylstyrylbenzene isomers","CrystEngComm","2016","18","12","2098","","10.1039/C5CE02406D","","x-ray","1.54184","CuKα","","0.0677","0.0448","","","0.1089","0.122","","","","","","1.023","","","","has coordinates","181604","2020-10-21","18:00:00",""
"7224292","32.3617","0.0007","18.5058","0.0005","7.04172","0.00013","90","","90","","90","","4217.14","0.17","293","2","293.15","","","","","","","","","2","P c c n","-P 2ab 2ac","56","","","","- C30 H22 -","- C30 H22 -","- C240 H176 -","8","1","","Li, Ye-Xin; Yang, Xiao-Feng; Miao, Jin-Ling; Zhang, Zhen-Wei; Sun, Guo-Xin","Effects of substitution position on crystal packing, polymorphism and crystallization-induced emission of (9-anthryl)vinylstyrylbenzene isomers","CrystEngComm","2016","18","12","2098","","10.1039/C5CE02406D","","x-ray","1.54184","CuKα","","0.0624","0.0484","","","0.1275","0.1403","","","","","","1.027","","","","has coordinates","181604","2020-10-21","18:00:00",""
"7224293","9.3498","0.0016","9.4481","0.0018","24.396","0.002","89.902","0.012","81.207","0.012","76.231","0.016","2067.2","0.6","293","2","293.15","","","","","","","","","2","P -1","-P 1","2","","","","- C30 H22 -","- C30 H22 -","- C120 H88 -","4","2","","Li, Ye-Xin; Yang, Xiao-Feng; Miao, Jin-Ling; Zhang, Zhen-Wei; Sun, Guo-Xin","Effects of substitution position on crystal packing, polymorphism and crystallization-induced emission of (9-anthryl)vinylstyrylbenzene isomers","CrystEngComm","2016","18","12","2098","","10.1039/C5CE02406D","","x-ray","1.54184","CuKα","","0.1684","0.1011","","","0.2633","0.3295","","","","","","1.027","","","","has coordinates","181604","2020-10-21","18:00:00",""
"7224294","13.0361","0.0007","12.7404","0.0008","20.0773","0.0016","90","","94.398","0.002","90","","3324.7","0.4","130","2","130","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","pdbpn","pdbpn","","- C18 H13 Cl N4 O Pd -","- C18 H13 Cl N4 O Pd -","- C144 H104 Cl8 N32 O8 Pd8 -","8","2","","Arumugam, Vignesh; Kaminsky, Werner; Nallasamy, Dharmaraj","Pd(ii) pincer type complex catalyzed tandem C‒H and N‒H activation of acetanilide in aqueous media: a concise access to functionalized carbazoles in a single step","Green Chem.","2016","18","11","3295","","10.1039/C5GC02937F","","","0.71073","MoKα","","0.1934","0.0553","","","0.0944","0.1258","","","","","","0.846","","","","has coordinates,has disorder","183714","2020-10-21","18:00:00",""
"7224295","18.2644","0.0011","9.0854","0.0006","19.045","0.0011","90","","90","","90","","3160.3","0.3","296","2","296","2","","","","","","","","6","P n a 21","P 2c -2n","33","pdsnah","pdsnah","","- C17 H12 Cl N3 O2 Pd -","- C17 H12 Cl N3 O2 Pd -","- C136 H96 Cl8 N24 O16 Pd8 -","8","2","","Arumugam, Vignesh; Kaminsky, Werner; Nallasamy, Dharmaraj","Pd(ii) pincer type complex catalyzed tandem C‒H and N‒H activation of acetanilide in aqueous media: a concise access to functionalized carbazoles in a single step","Green Chem.","2016","18","11","3295","","10.1039/C5GC02937F","","","0.71073","MoKα","","0.0322","0.0271","","","0.0575","0.0595","","","","","","1.024","","","","has coordinates","183714","2020-10-21","18:00:00",""
"7224296","8.993","0.0005","11.414","0.0006","11.9331","0.0006","112.083","0.003","94.293","0.004","107.174","0.004","1060.25","0.11","150","1","150","1","","","","","","","","5","P -1","-P 1","2","","","","- C44 H64 B2 Ge2 N6 -","- C44 H64 B2 Ge2 N6 -","- C44 H64 B2 Ge2 N6 -","1","0.5","","Böserle, Jiří; Alonso, Mercedes; Jambor, Roman; Růžička, Aleš; Dostál, Libor","Synthesis and reactivity of a germylene stabilized by a boraguanidinate ligand","RSC Adv.","2016","6","23","19377","","10.1039/C6RA01187J","","","0.71073","MoKα","","0.0398","0.0329","","","0.0732","0.0771","","","","","","1.07","","","","has coordinates","176720","2020-10-21","18:00:00",""
"7224297","8.6562","0.0005","10.284","0.0004","12.9948","0.0008","73.067","0.004","86.43","0.005","76.579","0.003","1076.41","0.1","150","1","150","1","","","","","","","","4","P -1","-P 1","2","","","","- C22 H34 B N3 -","- C22 H34 B N3 -","- C44 H68 B2 N6 -","2","1","","Böserle, Jiří; Alonso, Mercedes; Jambor, Roman; Růžička, Aleš; Dostál, Libor","Synthesis and reactivity of a germylene stabilized by a boraguanidinate ligand","RSC Adv.","2016","6","23","19377","","10.1039/C6RA01187J","","","0.71073","MoKα","","0.0648","0.05","","","0.1201","0.1354","","","","","","1.072","","","","has coordinates","176720","2020-10-21","18:00:00",""
"7224298","20.425","0.0016","8.554","0.0007","19.569","0.002","90","","90.855","0.007","90","","3418.6","0.5","150","1","150","1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C34 H42 B Ge N3 Se2 -","- C34 H42 B Ge N3 Se2 -","- C136 H168 B4 Ge4 N12 Se8 -","4","1","","Böserle, Jiří; Alonso, Mercedes; Jambor, Roman; Růžička, Aleš; Dostál, Libor","Synthesis and reactivity of a germylene stabilized by a boraguanidinate ligand","RSC Adv.","2016","6","23","19377","","10.1039/C6RA01187J","","","0.71073","MoKα","","0.1294","0.0962","","","0.2036","0.2222","","","","","","1.126","","","","has coordinates","176720","2020-10-21","18:00:00",""
"7224299","12.41","0.0012","15.971","0.0005","26.276","0.003","101.799","0.006","95.207","0.008","98.138","0.005","5007.9","0.8","150","1","150","1","","","","","","","","5","P -1","-P 1","2","","","","- C54 H82 B Ge N5 -","- C48 H68 B Ge N5 -","- C192 H272 B4 Ge4 N20 -","4","2","","Böserle, Jiří; Alonso, Mercedes; Jambor, Roman; Růžička, Aleš; Dostál, Libor","Synthesis and reactivity of a germylene stabilized by a boraguanidinate ligand","RSC Adv.","2016","6","23","19377","","10.1039/C6RA01187J","","","0.71073","MoKα","","0.0658","0.0449","","","0.102","0.1155","","","","","","1.087","","","","has coordinates","176720","2020-10-21","18:00:00",""
"7224300","8.334","0.0005","19.705","0.0018","42.118","0.004","90","","90","","90","","6916.7","1","150","1","150","1","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C34 H42 B Ge N3 Te2 -","- C34 H42 B Ge N3 Te2 -","- C272 H336 B8 Ge8 N24 Te16 -","8","1","","Böserle, Jiří; Alonso, Mercedes; Jambor, Roman; Růžička, Aleš; Dostál, Libor","Synthesis and reactivity of a germylene stabilized by a boraguanidinate ligand","RSC Adv.","2016","6","23","19377","","10.1039/C6RA01187J","","","0.71073","MoKα","","0.0517","0.0371","","","0.062","0.0664","","","","","","1.215","","","","has coordinates","176720","2020-10-21","18:00:00",""
"7224301","20.0901","0.0014","8.496","0.0004","19.6849","0.0016","90","","91.921","0.006","90","","3358","0.4","150","1","150","1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C34 H42 B Ge N3 S2 -","- C34 H42 B Ge N3 S2 -","- C136 H168 B4 Ge4 N12 S8 -","4","1","","Böserle, Jiří; Alonso, Mercedes; Jambor, Roman; Růžička, Aleš; Dostál, Libor","Synthesis and reactivity of a germylene stabilized by a boraguanidinate ligand","RSC Adv.","2016","6","23","19377","","10.1039/C6RA01187J","","","0.71073","MoKα","","0.0592","0.0366","","","0.0712","0.0832","","","","","","1.104","","","","has coordinates","176720","2020-10-21","18:00:00",""
"7224302","8.404","0.0003","10.24","0.0007","17.1711","0.001","99.375","0.006","92.648","0.006","107.632","0.005","1382.27","0.14","150","1","150","1","","","","","","","","5","P -1","-P 1","2","","","","- C28 H42 B Ge N3 -","- C28 H42 B Ge N3 -","- C56 H84 B2 Ge2 N6 -","2","1","","Böserle, Jiří; Alonso, Mercedes; Jambor, Roman; Růžička, Aleš; Dostál, Libor","Synthesis and reactivity of a germylene stabilized by a boraguanidinate ligand","RSC Adv.","2016","6","23","19377","","10.1039/C6RA01187J","","","0.71073","MoKα","","0.0324","0.0263","","","0.0665","0.0722","","","","","","1.119","","","","has coordinates","176720","2020-10-21","18:00:00",""
"7224303","14.72","0.0009","8.214","0.0007","21.3591","0.0015","90","","94.762","0.007","90","","2573.6","0.3","150","1","150","1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C22 H32 B Ge I2 N3 -","- C22 H32 B Ge I2 N3 -","- C88 H128 B4 Ge4 I8 N12 -","4","1","","Böserle, Jiří; Alonso, Mercedes; Jambor, Roman; Růžička, Aleš; Dostál, Libor","Synthesis and reactivity of a germylene stabilized by a boraguanidinate ligand","RSC Adv.","2016","6","23","19377","","10.1039/C6RA01187J","","","0.71073","MoKα","","0.0421","0.0313","","","0.0615","0.0663","","","","","","1.117","","","","has coordinates","176720","2020-10-21","18:00:00",""
"7224304","8.404","0.0003","11.041","0.0009","13.8139","0.001","84.933","0.005","80.365","0.004","89.771","0.004","1258.68","0.15","150","1","150","1","","","","","","","","6","P -1","-P 1","2","","","","- C23 H35 B Ge I N3 -","- C23 H35 B Ge I N3 -","- C46 H70 B2 Ge2 I2 N6 -","2","1","","Böserle, Jiří; Alonso, Mercedes; Jambor, Roman; Růžička, Aleš; Dostál, Libor","Synthesis and reactivity of a germylene stabilized by a boraguanidinate ligand","RSC Adv.","2016","6","23","19377","","10.1039/C6RA01187J","","","0.71073","MoKα","","0.0367","0.0311","","","0.0767","0.0816","","","","","","1.076","","","","has coordinates","176720","2020-10-21","18:00:00",""
"7224305","13.726","0.0007","19.8081","0.0017","14.794","0.0008","90","","117.858","0.004","90","","3556.1","0.4","150","1","150","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C40 H50 B Ge N3 -","- C40 H50 B Ge N3 -","- C160 H200 B4 Ge4 N12 -","4","1","","Böserle, Jiří; Alonso, Mercedes; Jambor, Roman; Růžička, Aleš; Dostál, Libor","Synthesis and reactivity of a germylene stabilized by a boraguanidinate ligand","RSC Adv.","2016","6","23","19377","","10.1039/C6RA01187J","","","0.71073","MoKα","","0.0516","0.0343","","","0.0663","0.075","","","","","","1.127","","","","has coordinates","176720","2020-10-21","18:00:00",""
"7224306","8.467","0.0003","9.7781","0.0005","14.5579","0.0009","79.339","0.005","76.99","0.004","79.439","0.004","1141.36","0.1","150","1","150","1","","","","","","","","6","P -1","-P 1","2","","","","- C22 H33 B Cl Ge N3 -","- C22 H33 B Cl Ge N3 -","- C44 H66 B2 Cl2 Ge2 N6 -","2","1","","Böserle, Jiří; Alonso, Mercedes; Jambor, Roman; Růžička, Aleš; Dostál, Libor","Synthesis and reactivity of a germylene stabilized by a boraguanidinate ligand","RSC Adv.","2016","6","23","19377","","10.1039/C6RA01187J","","","0.71073","MoKα","","0.0459","0.0362","","","0.0828","0.0894","","","","","","1.098","","","","has coordinates","176720","2020-10-21","18:00:00",""
"7224307","9.48","0.003","9.529","0.0011","31.902","0.006","86.052","0.012","86.293","0.016","65.709","0.016","2618.4","1.1","150","1","150","1","","","","","","","","6","P -1","-P 1","2","","","","- C22 H33 B Br3 Ge N3 -","- C22 H33 B Br3 Ge N3 -","- C88 H132 B4 Br12 Ge4 N12 -","4","2","","Böserle, Jiří; Alonso, Mercedes; Jambor, Roman; Růžička, Aleš; Dostál, Libor","Synthesis and reactivity of a germylene stabilized by a boraguanidinate ligand","RSC Adv.","2016","6","23","19377","","10.1039/C6RA01187J","","","0.71073","MoKα","","0.1052","0.086","","","0.1899","0.2011","","","","","","1.281","","","","has coordinates","176720","2020-10-21","18:00:00",""
"7224308","8.352","0.0004","10.479","0.0005","13.5181","0.001","95.684","0.005","100.864","0.006","90.338","0.004","1155.83","0.12","150","1","150","1","","","","","","","","6","P -1","-P 1","2","","","","- C22 H33 B Br Ge N3 -","- C22 H33 B Br Ge N3 -","- C44 H66 B2 Br2 Ge2 N6 -","2","1","","Böserle, Jiří; Alonso, Mercedes; Jambor, Roman; Růžička, Aleš; Dostál, Libor","Synthesis and reactivity of a germylene stabilized by a boraguanidinate ligand","RSC Adv.","2016","6","23","19377","","10.1039/C6RA01187J","","","0.71073","MoKα","","0.0477","0.0306","","","0.0627","0.0703","","","","","","1.085","","","","has coordinates","176720","2020-10-21","18:00:00",""
"7224309","9.0737","0.0006","18.081","0.0011","12.2682","0.0007","90","","111.185","0.004","90","","1876.7","0.2","293","","293","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","CS1-4FBA","3-(4-fluorobenzyl)-4-(1H-indol-3-yl)-3,4-dihydroquinazolin-2(1H)-one","","- C23 H18 F N3 O -","- C23 H18 F N3 O -","- C92 H72 F4 N12 O4 -","4","1","","Daggupati, Ramana Venkata; Botla, Vinayak; kumar, V Dileep; USN, Murthy; Chowhan, Raju; Malapaka, Chandrasekharam","Hydrophobically directed, catalyst-free, multi-component synthesis of functionalized 3, 4-dihydroquinazolin-2(1H)-ones","RSC Adv.","2016","","","","","10.1039/C6RA00381H","","","0.71075","MoKα","","","0.0546","","","","0.1792","","","","","","1.057","","","","has coordinates","176721","2020-10-21","18:00:00",""
"7224310","14.2909","0.0005","14.2909","0.0005","41.5072","0.0016","90","","90","","120","","7341.3","0.5","139.96","0.18","139.96","0.18","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","","","- C8 H14 Fe2 N O12 -","- C8.002 H14.006 Fe2 N1.001 O12 -","- C144.036 H252.108 Fe36 N18.018 O216 -","18","0.5","","Sieradzki, A.; Pawlus, S.; Tripathy, S. N.; Gągor, A; Ciupa, A.; Mączka, M; Paluch, M.","Dielectric relaxation behavior in antiferroelectric metal organic framework [(CH3)2NH2][Fe(III)Fe(II)(HCOO)6] single crystals.","Physical chemistry chemical physics : PCCP","2016","18","12","8462","8467","10.1039/c6cp00064a","","x-ray","0.71073","MoKα","","0.0367","0.0258","","","0.0651","0.0691","","","","","","1.099","","","","has coordinates,has disorder","182801","2020-10-21","18:00:00",""
"7224311","8.2603","0.0003","8.2603","0.0003","13.8466","0.0004","90","","90","","120","","818.21","0.05","159.97","0.18","159.97","0.18","","","","","","","","5","P -3 1 c","-P 3 2c","163","","","","- C8 H14 Fe2 N O12 -","- C8 H14.0016 Fe2 N1.0002 O12 -","- C16 H28.0032 Fe4 N2.0004 O24 -","2","0.166667","","Sieradzki, A.; Pawlus, S.; Tripathy, S. N.; Gągor, A; Ciupa, A.; Mączka, M; Paluch, M.","Dielectric relaxation behavior in antiferroelectric metal organic framework [(CH3)2NH2][Fe(III)Fe(II)(HCOO)6] single crystals.","Physical chemistry chemical physics : PCCP","2016","18","12","8462","8467","10.1039/c6cp00064a","","x-ray","0.71073","MoKα","","0.027","0.0216","","","0.048","0.0499","","","","","","1.041","","","","has coordinates","182801","2020-10-21","18:00:00",""
"7224312","14.2916","0.0005","14.2916","0.0005","41.4795","0.0017","90","","90","","120","","7337.1","0.5","100","0.3","100","0.3","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","","","- C8 H14 Fe2 N O12 -","- C7.998 H13.994 Fe2 N0.999 O12 -","- C143.964 H251.892 Fe36 N17.982 O216 -","18","0.5","","Sieradzki, A.; Pawlus, S.; Tripathy, S. N.; Gągor, A; Ciupa, A.; Mączka, M; Paluch, M.","Dielectric relaxation behavior in antiferroelectric metal organic framework [(CH3)2NH2][Fe(III)Fe(II)(HCOO)6] single crystals.","Physical chemistry chemical physics : PCCP","2016","18","12","8462","8467","10.1039/c6cp00064a","","x-ray","0.71073","MoKα","","0.0347","0.0246","","","0.0656","0.0704","","","","","","0.984","","","","has coordinates,has disorder","182801","2020-10-21","18:00:00",""
"7224313","14.2991","0.0005","14.2991","0.0005","41.5361","0.0013","90","","90","","120","","7354.8","0.4","149.97","0.18","149.97","0.18","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","","","- C8 H14 Fe2 N O12 -","- C8.002 H14.006 Fe2 N1.001 O12 -","- C144.036 H252.108 Fe36 N18.018 O216 -","18","0.5","","Sieradzki, A.; Pawlus, S.; Tripathy, S. N.; Gągor, A; Ciupa, A.; Mączka, M; Paluch, M.","Dielectric relaxation behavior in antiferroelectric metal organic framework [(CH3)2NH2][Fe(III)Fe(II)(HCOO)6] single crystals.","Physical chemistry chemical physics : PCCP","2016","18","12","8462","8467","10.1039/c6cp00064a","","x-ray","0.71073","MoKα","","0.0429","0.0297","","","0.0734","0.0778","","","","","","1.174","","","","has coordinates,has disorder","182801","2020-10-21","18:00:00",""
"7224314","14.2896","0.0005","14.2896","0.0005","41.483","0.0015","90","","90","","120","","7335.7","0.4","124.95","0.18","124.95","0.18","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","","","- C8 H14 Fe2 N O12 -","- C8.002 H14.006 Fe2 N1.001 O12 -","- C144.036 H252.108 Fe36 N18.018 O216 -","18","0.5","","Sieradzki, A.; Pawlus, S.; Tripathy, S. N.; Gągor, A; Ciupa, A.; Mączka, M; Paluch, M.","Dielectric relaxation behavior in antiferroelectric metal organic framework [(CH3)2NH2][Fe(III)Fe(II)(HCOO)6] single crystals.","Physical chemistry chemical physics : PCCP","2016","18","12","8462","8467","10.1039/c6cp00064a","","x-ray","0.71073","MoKα","","0.0352","0.0245","","","0.0663","0.0716","","","","","","0.989","","","","has coordinates,has disorder","182801","2020-10-21","18:00:00",""
"7224315","21.201","0.007","10.863","0.002","32.16","0.006","90","","98.94","0.04","90","","7317","3","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","5-(4-tert-butylphenyl)-15-bipyridine-porphyrin zinc","zinc{5-(4-tert-butylphenyl)-15-[4-(2,2'-bipyridine)]-porphyrinato}","","- C44 H38 N6 O Zn -","- C44 H38 N6 O Zn -","- C352 H304 N48 O8 Zn8 -","8","1","","Coutsolelos, Athanassios G.; Angaridis, Panagiots; Ferentinos, Eleftherios; Ladomenou, Kalliopi; Nikolaou, Vasilis; Charalambidis, Georgios; Sharma, Ganesh D.; Biswas, S.","Pyridyl vs bipyridyl anchoring groups of porphyrin sensitizers for dye sensitized solar cells","RSC Adv.","2016","","","","","10.1039/C5RA23445J","","","0.71073","MoKα","","0.1568","0.068","","","0.0981","0.1178","","","","","","1.035","","","","has coordinates,has disorder","176749","2020-10-21","18:00:00",""
"7224316","6.9074","0.0014","8.6886","0.0019","10.502","0.002","85.367","0.011","89.74","0.01","79.832","0.01","618.3","0.2","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C14 H14 N3 O3 -","- C14 H11 N3 O3 -","- C28 H22 N6 O6 -","2","1","","Das, Asish R.; Kausar, Nazia; Roy, Indranil; Chattopadhyay, Dipankar","Synthesis of 2,3-dihydroquinazolinones and quinazolin-4(3H)-one catalyzed by Graphene Oxide nanosheets in aqueous medium: “on-water” synthesis accompanied by carbocatalysis and selective C-C bond cleavage","RSC Adv.","2016","","","","","10.1039/C6RA00388E","","","0.71073","MoKα","","0.1574","0.0998","","","0.2841","0.3337","","","","","","1.138","","","","has coordinates","176750","2020-10-21","18:00:00",""
"7224317","10.318","0.0016","12.0004","0.0019","16.682","0.003","90","","90","","90","","2065.6","0.6","296","2","296","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C12 H14 N2 O -","- C12 H14 N2 O -","- C96 H112 N16 O8 -","8","1","","Das, Asish R.; Kausar, Nazia; Roy, Indranil; Chattopadhyay, Dipankar","Synthesis of 2,3-dihydroquinazolinones and quinazolin-4(3H)-one catalyzed by Graphene Oxide nanosheets in aqueous medium: “on-water” synthesis accompanied by carbocatalysis and selective C-C bond cleavage","RSC Adv.","2016","","","","","10.1039/C6RA00388E","","","0.71073","MoKα","","0.0698","0.0619","","","0.1957","0.2052","","","","","","0.968","","","","has coordinates","176750","2020-10-21","18:00:00",""
"7224318","8.56","0.0003","8.8072","0.0003","16.2462","0.0006","90","","93.334","0.002","90","","1222.72","0.07","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C15 H14 N2 O -","- C15 H14 N2 O -","- C60 H56 N8 O4 -","4","1","","Das, Asish R.; Kausar, Nazia; Roy, Indranil; Chattopadhyay, Dipankar","Synthesis of 2,3-dihydroquinazolinones and quinazolin-4(3H)-one catalyzed by Graphene Oxide nanosheets in aqueous medium: “on-water” synthesis accompanied by carbocatalysis and selective C-C bond cleavage","RSC Adv.","2016","","","","","10.1039/C6RA00388E","","","0.71073","MoKα","","0.0703","0.0603","","","0.1611","0.1779","","","","","","0.876","","","","has coordinates","176750","2020-10-21","18:00:00",""
"7224319","12.513","0.005","14.98","0.006","8.251","0.004","90","","92.583","0.014","90","","1545","1.2","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H12 N2 O3 S -","- C19 H12 N1.99 O2.94 S -","- C76 H48 N7.96 O11.76 S4 -","4","1","","Bhattacharyya,, Bhaswati; Kundu, Arijit; Das, Aniruddha; Dhara, Kaliprasanna; Guchhait, Nikhil","One-pot protocol for J-aggregated anthraimidazolediones catalyzed by phosphotungstic acid in PEG-400 under aerobic condition","RSC Adv.","2016","","","","","10.1039/C5RA19190D","","","0.71073","MoKα","","0.1477","0.122","","","0.3602","0.3787","","","","","","1.488","","","","has coordinates","176751","2020-10-21","18:00:00",""
"7224320","13.0733","0.0002","16.7932","0.0003","19.0162","0.0002","91.0697","0.0011","94.1916","0.0012","103.074","0.0014","4053.1","0.11","123","2","123","2","","","","","","","","4","P -1","-P 1","2","","","","- C33 H25 N5 O4 -","- C33 H25 N5 O4 -","- C198 H150 N30 O24 -","6","3","","Suhonen, Aku; Kortelainen, Minna; Nauha, Elisa; Yliniemelä-Sipari, Sanna; Pihko, Petri M.; Nissinen, Maija","Conformational properties and folding analysis of a series of seven oligoamide foldamers","CrystEngComm","2016","18","11","2005","","10.1039/C5CE02458G","","x-ray","1.54184","CuKα","","0.0472","0.0425","","","0.1137","0.117","","","","","","1.087","","","","has coordinates","181607","2020-10-21","18:00:00",""
"7224321","14.34241","0.00019","19.5568","0.0002","11.3441","0.00016","90","","94.0477","0.0012","90","","3173.99","0.07","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C37 H34 N6 O5 -","- C37 H34 N6 O5 -","- C148 H136 N24 O20 -","4","1","","Suhonen, Aku; Kortelainen, Minna; Nauha, Elisa; Yliniemelä-Sipari, Sanna; Pihko, Petri M.; Nissinen, Maija","Conformational properties and folding analysis of a series of seven oligoamide foldamers","CrystEngComm","2016","18","11","2005","","10.1039/C5CE02458G","","","0.7107","MoKα","","0.0538","0.0424","","","0.0981","0.1044","","","","","","1.024","","","","has coordinates,has disorder","181607","2020-10-21","18:00:00",""
"7224322","14.5114","0.0007","19.1956","0.0007","11.3102","0.0004","90","","97.975","0.004","90","","3120","0.2","123","2","123","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C35 H27 D6 N5 O6 S -","- C35 H27 D6 N5 O6 S -","- C140 H108 D24 N20 O24 S4 -","4","1","","Suhonen, Aku; Kortelainen, Minna; Nauha, Elisa; Yliniemelä-Sipari, Sanna; Pihko, Petri M.; Nissinen, Maija","Conformational properties and folding analysis of a series of seven oligoamide foldamers","CrystEngComm","2016","18","11","2005","","10.1039/C5CE02458G","","x-ray","1.54184","CuKα","","0.1021","0.061","","","0.1416","0.1634","","","","","","1.093","","","","has coordinates","181607","2020-10-21","18:00:00",""
"7224323","13.934","0.003","19.167","0.0019","11.1543","0.0014","90","","94.855","0.018","90","","2968.3","0.8","123","2","123","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C35 H28 N6 O4 -","- C35 H28 N6 O4 -","- C140 H112 N24 O16 -","4","1","","Suhonen, Aku; Kortelainen, Minna; Nauha, Elisa; Yliniemelä-Sipari, Sanna; Pihko, Petri M.; Nissinen, Maija","Conformational properties and folding analysis of a series of seven oligoamide foldamers","CrystEngComm","2016","18","11","2005","","10.1039/C5CE02458G","","","1.54184","CuKα","","0.1041","0.0591","","","0.1209","0.1499","","","","","","0.952","","","","has coordinates","181607","2020-10-21","18:00:00",""
"7224324","8.9343","0.0002","12.0833","0.0002","13.1298","0.0002","112.097","0.002","93.024","0.002","101.52","0.002","1274.04","0.05","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C27 H22 Cl2 N4 O3 -","- C27 H22 Cl2 N4 O3 -","- C54 H44 Cl4 N8 O6 -","2","1","","Suhonen, Aku; Kortelainen, Minna; Nauha, Elisa; Yliniemelä-Sipari, Sanna; Pihko, Petri M.; Nissinen, Maija","Conformational properties and folding analysis of a series of seven oligoamide foldamers","CrystEngComm","2016","18","11","2005","","10.1039/C5CE02458G","","","1.54178","CuKα","","0.0838","0.0657","","","0.1671","0.183","","","","","","1.052","","","","has coordinates,has disorder","181607","2020-10-21","18:00:00",""
"7224325","9.0133","0.0001","11.9653","0.0001","12","0.0001","83.142","0.001","81.233","0.001","69.213","0.001","1192.79","0.02","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C26.5 H21 Cl N4 O3 -","- C26.5 H21 Cl N4 O3 -","- C53 H42 Cl2 N8 O6 -","2","1","","Suhonen, Aku; Kortelainen, Minna; Nauha, Elisa; Yliniemelä-Sipari, Sanna; Pihko, Petri M.; Nissinen, Maija","Conformational properties and folding analysis of a series of seven oligoamide foldamers","CrystEngComm","2016","18","11","2005","","10.1039/C5CE02458G","","","1.54178","CuKα","","0.067","0.0582","","","0.1498","0.1586","","","","","","1.049","","","","has coordinates,has disorder","181607","2020-10-21","18:00:00",""
"7224326","8.189","0.0002","12.1939","0.0003","14.5599","0.0003","68.849","0.002","80.18","0.003","86.555","0.003","1336.08","0.06","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C30 H29 N5 O4 -","- C30 H29 N5 O4 -","- C60 H58 N10 O8 -","2","1","","Suhonen, Aku; Kortelainen, Minna; Nauha, Elisa; Yliniemelä-Sipari, Sanna; Pihko, Petri M.; Nissinen, Maija","Conformational properties and folding analysis of a series of seven oligoamide foldamers","CrystEngComm","2016","18","11","2005","","10.1039/C5CE02458G","","","1.54178","CuKα","","0.0813","0.0512","","","0.1195","0.1369","","","","","","1.027","","","","has coordinates,has disorder","181607","2020-10-21","18:00:00",""
"7224327","10.9333","0.0006","18.054","0.0011","21.5317","0.0014","90","","90","","90","","4250.1","0.4","173","2","173","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C26 H20 N4 O3 -","- C26 H20 N4 O3 -","- C208 H160 N32 O24 -","8","1","","Suhonen, Aku; Kortelainen, Minna; Nauha, Elisa; Yliniemelä-Sipari, Sanna; Pihko, Petri M.; Nissinen, Maija","Conformational properties and folding analysis of a series of seven oligoamide foldamers","CrystEngComm","2016","18","11","2005","","10.1039/C5CE02458G","","","1.54178","CuKα","","0.101","0.0543","","","0.1132","0.135","","","","","","1.039","","","","has coordinates","181607","2020-10-21","18:00:00",""
"7224328","8.5193","0.0003","9.8054","0.0004","14.3709","0.0004","74.437","0.003","75.224","0.003","78.208","0.003","1106.25","0.07","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","N2-(2-aminophenyl)-N6-(2-benzamidophenyl)pyridine-2,6-dicarboxamide","","- C26 H21 N5 O3 -","- C26 H21 N5 O3 -","- C52 H42 N10 O6 -","2","1","","Suhonen, Aku; Kortelainen, Minna; Nauha, Elisa; Yliniemelä-Sipari, Sanna; Pihko, Petri M.; Nissinen, Maija","Conformational properties and folding analysis of a series of seven oligoamide foldamers","CrystEngComm","2016","18","11","2005","","10.1039/C5CE02458G","","","0.7107","MoKα","","0.0568","0.0439","","","0.1054","0.1126","","","","","","1.1","","","","has coordinates","181607","2020-10-21","18:00:00",""
"7224329","12.3983","0.0002","19.7518","0.0003","14.0691","0.0002","90","","99.8562","0.0016","90","","3394.51","0.09","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C35 H25 Cl3 N6 O4 -","- C35 H25 Cl3 N6 O4 -","- C140 H100 Cl12 N24 O16 -","4","1","","Suhonen, Aku; Kortelainen, Minna; Nauha, Elisa; Yliniemelä-Sipari, Sanna; Pihko, Petri M.; Nissinen, Maija","Conformational properties and folding analysis of a series of seven oligoamide foldamers","CrystEngComm","2016","18","11","2005","","10.1039/C5CE02458G","","","0.7107","MoKα","","0.0661","0.0501","","","0.1198","0.1299","","","","","","1.024","","","","has coordinates,has disorder","181607","2020-10-21","18:00:00",""
"7224330","12.1856","0.0005","20.3897","0.0008","13.7195","0.0005","90","","95.426","0.003","90","","3393.5","0.2","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C38 H33 N7 O5 -","- C38 H33 N7 O5 -","- C152 H132 N28 O20 -","4","1","","Suhonen, Aku; Kortelainen, Minna; Nauha, Elisa; Yliniemelä-Sipari, Sanna; Pihko, Petri M.; Nissinen, Maija","Conformational properties and folding analysis of a series of seven oligoamide foldamers","CrystEngComm","2016","18","11","2005","","10.1039/C5CE02458G","","","1.54178","CuKα","","0.1275","0.0703","","","0.1653","0.2001","","","","","","1.021","","","","has coordinates","181607","2020-10-21","18:00:00",""
"7224331","12.2684","0.0004","20.2242","0.0007","13.8112","0.0005","90","","98.246","0.002","90","","3391.4","0.2","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C38 H32 N6 O5 -","- C38 H32 N6 O5 -","- C152 H128 N24 O20 -","4","1","","Suhonen, Aku; Kortelainen, Minna; Nauha, Elisa; Yliniemelä-Sipari, Sanna; Pihko, Petri M.; Nissinen, Maija","Conformational properties and folding analysis of a series of seven oligoamide foldamers","CrystEngComm","2016","18","11","2005","","10.1039/C5CE02458G","","","1.54178","CuKα","","0.1238","0.083","","","0.21","0.2409","","","","","","1.031","","","","has coordinates","181607","2020-10-21","18:00:00",""
"7224332","8.7193","0.0002","13.1332","0.0003","13.2791","0.0005","114.688","0.001","97.288","0.001","103.693","0.001","1297.73","0.07","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C30 H27 N5 O5 -","- C30 H27 N5 O5 -","- C60 H54 N10 O10 -","2","1","","Suhonen, Aku; Kortelainen, Minna; Nauha, Elisa; Yliniemelä-Sipari, Sanna; Pihko, Petri M.; Nissinen, Maija","Conformational properties and folding analysis of a series of seven oligoamide foldamers","CrystEngComm","2016","18","11","2005","","10.1039/C5CE02458G","","","0.71073","MoKα","","0.1002","0.0586","","","0.1308","0.1503","","","","","","1.062","","","","has coordinates","181607","2020-10-21","18:00:00",""
"7224333","8.7246","0.0005","13.2012","0.0005","15.2754","0.0005","97.888","0.003","104.934","0.004","104.062","0.004","1611.06","0.13","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","N2-(2-acetamidophenyl)-N6-(2-benzamidophenyl)pyridine-2,6-dicarboxamide","","- C32 H35 N5 O6 S2 -","- C32 H35 N5 O6 S2 -","- C64 H70 N10 O12 S4 -","2","1","","Suhonen, Aku; Kortelainen, Minna; Nauha, Elisa; Yliniemelä-Sipari, Sanna; Pihko, Petri M.; Nissinen, Maija","Conformational properties and folding analysis of a series of seven oligoamide foldamers","CrystEngComm","2016","18","11","2005","","10.1039/C5CE02458G","","","0.7107","MoKα","","0.0735","0.0516","","","0.1138","0.1271","","","","","","1.031","","","","has coordinates,has disorder","181607","2020-10-21","18:00:00",""
"7224334","26.4407","0.0011","8.6348","0.0003","21.4502","0.001","90","","94.284","0.002","90","","4883.6","0.3","173","2","173","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C28 H23 N5 O4 -","- C28 H23 N5 O4 -","- C224 H184 N40 O32 -","8","1","","Suhonen, Aku; Kortelainen, Minna; Nauha, Elisa; Yliniemelä-Sipari, Sanna; Pihko, Petri M.; Nissinen, Maija","Conformational properties and folding analysis of a series of seven oligoamide foldamers","CrystEngComm","2016","18","11","2005","","10.1039/C5CE02458G","","","1.54178","CuKα","","0.0901","0.0518","","","0.1129","0.1333","","","","","","1.072","","","","has coordinates","181607","2020-10-21","18:00:00",""
"7224335","9.6881","0.0006","10.6294","0.0007","15.8346","0.0009","105.487","0.005","103.244","0.005","102.241","0.005","1463.32","0.17","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C33 H33 N5 O5 -","- C33 H33 N5 O5 -","- C66 H66 N10 O10 -","2","1","","Suhonen, Aku; Kortelainen, Minna; Nauha, Elisa; Yliniemelä-Sipari, Sanna; Pihko, Petri M.; Nissinen, Maija","Conformational properties and folding analysis of a series of seven oligoamide foldamers","CrystEngComm","2016","18","11","2005","","10.1039/C5CE02458G","","","0.7107","MoKα","","0.0937","0.058","","","0.0991","0.1136","","","","","","1.037","","","","has coordinates","181607","2020-10-21","18:00:00",""
"7224336","13.8945","0.0003","19.3946","0.0004","11.2987","0.0002","90","","92.96","0.002","90","","3040.69","0.11","123","2","123","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C36 H25 D6 N5 O5 -","- C36 H25 D6 N5 O5 -","- C144 H100 D24 N20 O20 -","4","1","","Suhonen, Aku; Kortelainen, Minna; Nauha, Elisa; Yliniemelä-Sipari, Sanna; Pihko, Petri M.; Nissinen, Maija","Conformational properties and folding analysis of a series of seven oligoamide foldamers","CrystEngComm","2016","18","11","2005","","10.1039/C5CE02458G","","x-ray","1.54184","CuKα","","0.0787","0.0581","","","0.1478","0.1617","","","","","","1.077","","","","has coordinates","181607","2020-10-21","18:00:00",""
"7224337","8.837","0.003","9.956","0.002","12.431","0.004","67.08","0.02","85.63","0.03","73.08","0.02","962.9","0.5","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H14 N O4 S6 -","- C16 H14 N O4 S6 -","- C32 H28 N2 O8 S12 -","2","1","","Huo, Peng; Li, Yan-Hong; Xue, Li-Jun; Chen, Ting; Yu, Lei; Zhu, Qin-Yu; Dai, Jie","Effect of conjugated structures of bipyridinium cations on ion assembly and charge-transfer of their tetrathiafulvalene-bicarboxylate salts","CrystEngComm","2016","18","11","1904","","10.1039/C6CE00180G","","","0.71075","MoKα","","0.0577","0.0436","","","0.1033","0.1277","","","","","","1.029","","","","has coordinates","181608","2020-10-21","18:00:00",""
"7224338","9.5145","0.0019","9.96","0.002","13.139","0.003","107.14","0.03","106.56","0.03","94.37","0.03","1122.9","0.5","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C36 H40 N2 O11 S12 -","- C36 H38 N2 O11 S12 -","- C36 H38 N2 O11 S12 -","1","0.5","","Huo, Peng; Li, Yan-Hong; Xue, Li-Jun; Chen, Ting; Yu, Lei; Zhu, Qin-Yu; Dai, Jie","Effect of conjugated structures of bipyridinium cations on ion assembly and charge-transfer of their tetrathiafulvalene-bicarboxylate salts","CrystEngComm","2016","18","11","1904","","10.1039/C6CE00180G","","","0.71073","MoKα","","0.0528","0.0424","","","0.1109","0.1141","","","","","","1.071","","","","has coordinates","181608","2020-10-21","18:00:00",""
"7224339","7.5801","0.0015","11.601","0.002","12.317","0.003","89.25","0.03","74.54","0.03","88.44","0.03","1043.5","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C17 H16 N O4 S6 -","- C17 H16 N O4 S6 -","- C34 H32 N2 O8 S12 -","2","1","","Huo, Peng; Li, Yan-Hong; Xue, Li-Jun; Chen, Ting; Yu, Lei; Zhu, Qin-Yu; Dai, Jie","Effect of conjugated structures of bipyridinium cations on ion assembly and charge-transfer of their tetrathiafulvalene-bicarboxylate salts","CrystEngComm","2016","18","11","1904","","10.1039/C6CE00180G","","","0.71073","MoKα","","0.0629","0.0388","","","0.0926","0.1025","","","","","","1.041","","","","has coordinates","181608","2020-10-21","18:00:00",""
"7224340","26.74","0.02","15.068","0.012","19.967","0.016","90","","128.436","0.011","90","","6302","9","243","2","243","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","wcz","","","- C42 H70 Ca Cd Cl4 N24 O23 -","- C42 H48 Ca Cd Cl4 N24 O16 -","- C168 H192 Ca4 Cd4 Cl16 N96 O64 -","4","0.5","","Wang, Chuan-Zeng; Zhao, Wen-Xuan; Shen, Fang-Fang; Zhang, Yun-Qian; Zhu, Qian-Jiang; Xiao, Xin; Tao, Zhu","Methyl-substituted cucurbit[6]uril-based microporous supramolecular frameworks for highly selective Et2O/CH3OH adsorption","CrystEngComm","2016","18","12","2112","","10.1039/C5CE02414E","","","0.71073","MoKα","","0.1917","0.1023","","","0.2904","0.3397","","","","","","0.948","","","","has coordinates","181603","2020-10-21","18:00:00",""
"7224341","14.998","0.006","18.882","0.008","27.686","0.012","90","","92.018","0.006","90","","7836","6","243","2","243","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","wcz","","","- C42 H90 Ba2 Cd Cl6 N24 O33 -","- C42 H48 Ba2 Cd Cl6 N24 O19 -","- C168 H192 Ba8 Cd4 Cl24 N96 O76 -","4","1","","Wang, Chuan-Zeng; Zhao, Wen-Xuan; Shen, Fang-Fang; Zhang, Yun-Qian; Zhu, Qian-Jiang; Xiao, Xin; Tao, Zhu","Methyl-substituted cucurbit[6]uril-based microporous supramolecular frameworks for highly selective Et2O/CH3OH adsorption","CrystEngComm","2016","18","12","2112","","10.1039/C5CE02414E","","","0.71073","MoKα","","0.1967","0.0987","","","0.2573","0.298","","","","","","0.897","","","","has coordinates,has disorder","181603","2020-10-21","18:00:00",""
"7224342","6.8378","0.0004","12.9909","0.0008","13.6543","0.0008","74.892","0.005","77.728","0.005","77.116","0.005","1126.02","0.12","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C18 H17 F3 La N3 O10 -","- C18 H17 F3 La N3 O10 -","- C36 H34 F6 La2 N6 O20 -","2","1","","Cui, Yan-Hui; Liang, Xiao-Xiao; Gu, Jin-Zhong; Wu, Jiang; Kirillov, Alexander M.","Self-assembly synthesis, structural features, reversible temperature-induced dehydration/hydration, and magnetic and luminescence properties of lanthanide(iii) compounds derived from 5-fluoronicotinic acid","CrystEngComm","2016","18","13","2303","","10.1039/C6CE00040A","","","0.71","MoKα","","0.0544","0.0423","","","0.0618","0.0707","","","","","","1.027","","","","has coordinates","181590","2020-10-21","18:00:00",""
"7224343","6.8156","0.0008","12.914","0.0015","13.6372","0.0013","74.71","0.009","77.652","0.009","76.938","0.01","1112.6","0.2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C18 H17 F3 N3 O10 Pr -","- C18 H17 F3 N3 O10 Pr -","- C36 H34 F6 N6 O20 Pr2 -","2","1","","Cui, Yan-Hui; Liang, Xiao-Xiao; Gu, Jin-Zhong; Wu, Jiang; Kirillov, Alexander M.","Self-assembly synthesis, structural features, reversible temperature-induced dehydration/hydration, and magnetic and luminescence properties of lanthanide(iii) compounds derived from 5-fluoronicotinic acid","CrystEngComm","2016","18","13","2303","","10.1039/C6CE00040A","","","0.71073","MoKα","","0.0528","0.0418","","","0.0802","0.086","","","","","","1.006","","","","has coordinates","181590","2020-10-21","18:00:00",""
"7224344","6.806","0.0003","12.881","0.0009","13.6265","0.0008","74.631","0.006","77.655","0.005","76.893","0.005","1106.75","0.12","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C18 H17 F3 N3 Nd O10 -","- C18 H17 F3 N3 Nd O10 -","- C36 H34 F6 N6 Nd2 O20 -","2","1","","Cui, Yan-Hui; Liang, Xiao-Xiao; Gu, Jin-Zhong; Wu, Jiang; Kirillov, Alexander M.","Self-assembly synthesis, structural features, reversible temperature-induced dehydration/hydration, and magnetic and luminescence properties of lanthanide(iii) compounds derived from 5-fluoronicotinic acid","CrystEngComm","2016","18","13","2303","","10.1039/C6CE00040A","","","0.71073","MoKα","","0.0468","0.039","","","0.0749","0.0812","","","","","","1.049","","","","has coordinates","181590","2020-10-21","18:00:00",""
"7224345","6.7955","0.0004","12.8007","0.0008","13.6033","0.0009","74.644","0.005","77.629","0.005","76.699","0.005","1095.54","0.12","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C18 H17 Eu F3 N3 O10 -","- C18 H17 Eu F3 N3 O10 -","- C36 H34 Eu2 F6 N6 O20 -","2","1","","Cui, Yan-Hui; Liang, Xiao-Xiao; Gu, Jin-Zhong; Wu, Jiang; Kirillov, Alexander M.","Self-assembly synthesis, structural features, reversible temperature-induced dehydration/hydration, and magnetic and luminescence properties of lanthanide(iii) compounds derived from 5-fluoronicotinic acid","CrystEngComm","2016","18","13","2303","","10.1039/C6CE00040A","","","0.71073","MoKα","","0.0369","0.0311","","","0.0584","0.063","","","","","","1.038","","","","has coordinates","181590","2020-10-21","18:00:00",""
"7224346","6.7892","0.0005","12.7644","0.0012","13.5843","0.0016","74.594","0.009","77.659","0.009","76.719","0.008","1089.84","0.19","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C18 H17 F3 Gd N3 O10 -","- C18 H17 F3 Gd N3 O10 -","- C36 H34 F6 Gd2 N6 O20 -","2","1","","Cui, Yan-Hui; Liang, Xiao-Xiao; Gu, Jin-Zhong; Wu, Jiang; Kirillov, Alexander M.","Self-assembly synthesis, structural features, reversible temperature-induced dehydration/hydration, and magnetic and luminescence properties of lanthanide(iii) compounds derived from 5-fluoronicotinic acid","CrystEngComm","2016","18","13","2303","","10.1039/C6CE00040A","","","0.71073","MoKα","","0.0374","0.0329","","","0.0723","0.0759","","","","","","1.028","","","","has coordinates","181590","2020-10-21","18:00:00",""
"7224347","6.7859","0.0004","12.7748","0.0007","13.566","0.0008","74.689","0.005","77.546","0.005","76.536","0.005","1088.1","0.11","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C18 H17 F3 N3 O10 Tb -","- C18 H17 F3 N3 O10 Tb -","- C36 H34 F6 N6 O20 Tb2 -","2","1","","Cui, Yan-Hui; Liang, Xiao-Xiao; Gu, Jin-Zhong; Wu, Jiang; Kirillov, Alexander M.","Self-assembly synthesis, structural features, reversible temperature-induced dehydration/hydration, and magnetic and luminescence properties of lanthanide(iii) compounds derived from 5-fluoronicotinic acid","CrystEngComm","2016","18","13","2303","","10.1039/C6CE00040A","","","0.71073","MoKα","","0.0332","0.0288","","","0.0589","0.0621","","","","","","1.039","","","","has coordinates","181590","2020-10-21","18:00:00",""
"7224348","6.7196","0.0004","13.0045","0.0009","13.3399","0.0009","94.604","0.006","93.382","0.005","102.228","0.005","1132.12","0.13","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C18 H19 F3 N3 O11 Tm -","- C18 H19 F3 N3 O11 Tm -","- C36 H38 F6 N6 O22 Tm2 -","2","1","","Cui, Yan-Hui; Liang, Xiao-Xiao; Gu, Jin-Zhong; Wu, Jiang; Kirillov, Alexander M.","Self-assembly synthesis, structural features, reversible temperature-induced dehydration/hydration, and magnetic and luminescence properties of lanthanide(iii) compounds derived from 5-fluoronicotinic acid","CrystEngComm","2016","18","13","2303","","10.1039/C6CE00040A","","","0.71073","MoKα","","0.0431","0.0364","","","0.0713","0.0768","","","","","","1.107","","","","has coordinates","181590","2020-10-21","18:00:00",""
"7224349","8.6142","0.0002","27.4686","0.0009","15.3524","0.0004","90","","100.233","0.003","90","","3574.9","0.17","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C36 H28 Eu F2 N7 O10 -","- C36 H28 Eu F2 N7 O10 -","- C144 H112 Eu4 F8 N28 O40 -","4","1","","Cui, Yan-Hui; Liang, Xiao-Xiao; Gu, Jin-Zhong; Wu, Jiang; Kirillov, Alexander M.","Self-assembly synthesis, structural features, reversible temperature-induced dehydration/hydration, and magnetic and luminescence properties of lanthanide(iii) compounds derived from 5-fluoronicotinic acid","CrystEngComm","2016","18","13","2303","","10.1039/C6CE00040A","","","0.71073","MoKα","","0.0709","0.047","","","0.1078","0.1255","","","","","","1.046","","","","has coordinates","181590","2020-10-21","18:00:00",""
"7224350","13.6952","","11.1812","","10.7534","","82.39","","92.5433","","90.1698","","1630.54","","298.15","","298.15","","","","","","","","","5","P 1","P 1","1","GL-SA","","","- C19 H27 N3 O7 S -","- C19 H27 N3 O7 S -","- C19 H27 N3 O7 S -","1","1","","Chadha, Renu; Rani, Dimpy; Goyal, Parnika","Novel cocrystals of gliclazide: characterization and evaluation","CrystEngComm","2016","18","13","2275","","10.1039/C5CE02402A","powder diffraction","","1.5406","CuKα~1~","","","","","","","","","","0.782","","","","","","","has coordinates","208164","2020-10-21","18:00:00",""
"7224351","10.8484","","14.3701","","13.0037","","90","","125.84","","90","","1643.34","","298.15","","298.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","GL-MA","","","- C19 H27 N3 O8 S -","- C19 H27 N3 O8 S -","- C76 H108 N12 O32 S4 -","4","1","","Chadha, Renu; Rani, Dimpy; Goyal, Parnika","Novel cocrystals of gliclazide: characterization and evaluation","CrystEngComm","2016","18","13","2275","","10.1039/C5CE02402A","powder diffraction","","1.5406","CuKα~1~","","","","","","","","","","0.894","","","","","","","has coordinates","181593","2020-10-21","18:00:00",""
"7224352","11.6181","0.0001","12.7879","0.0001","24.72","0.0002","90","","91.4752","0.0006","90","","3671.46","0.05","294","2","294","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","(FIO)3:CH2Cl2","","","- C40 H23 Cl2 F3 N6 O6 -","- C40 H23 Cl2 F3 N6 O6 -","- C160 H92 Cl8 F12 N24 O24 -","4","1","","Mocilac, P.; Gallagher, J. F.","Halogenated tennimides and trezimides: impact of halogen bonding and solvent role on porous network formation and inclusion","CrystEngComm","2016","18","13","2375","","10.1039/C5CE02052B","","","1.54184","CuKα","","0.042","0.0347","","","0.0867","0.093","","","","","","1.032","","","","has coordinates,has disorder","181594","2020-10-21","18:00:00",""
"7224353","11.4994","0.0001","18.9382","0.0001","17.4326","0.0001","90","","91.599","0.002","90","","3794.96","0.04","294","2","294","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","(FIO)3:DMSO","","","- C41 H27 F3 N6 O7 S -","- C41 H27 F3 N6 O7 S -","- C164 H108 F12 N24 O28 S4 -","4","1","","Mocilac, P.; Gallagher, J. F.","Halogenated tennimides and trezimides: impact of halogen bonding and solvent role on porous network formation and inclusion","CrystEngComm","2016","18","13","2375","","10.1039/C5CE02052B","","","1.54184","CuKα","","0.0416","0.036","","","0.0986","0.1048","","","","","","1.044","","","","has coordinates,has disorder","181594","2020-10-21","18:00:00",""
"7224354","12.007","0.001","12.0935","0.0009","17.6041","0.0014","100.016","0.007","103.607","0.007","90.467","0.007","2443.4","0.3","294","2","294","2","","","","","","","","6","P -1","-P 1","2","(FIO)4","","","- C53 H29 Cl3 F4 N8 O8 -","- C53 H29 Cl3 F4 N8 O8 -","- C106 H58 Cl6 F8 N16 O16 -","2","1","","Mocilac, P.; Gallagher, J. F.","Halogenated tennimides and trezimides: impact of halogen bonding and solvent role on porous network formation and inclusion","CrystEngComm","2016","18","13","2375","","10.1039/C5CE02052B","","","1.54184","CuKα","","0.0821","0.0582","","","0.1588","0.1839","","","","","","1.024","","","","has coordinates,has disorder","181594","2020-10-21","18:00:00",""
"7224355","12.8052","0.0001","23.0739","0.0001","18.4579","0.0002","90","","107.394","0.001","90","","5204.29","0.08","294","2","294","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","(FIO)4:2(Acetone)","","","- C58 H40 F4 N8 O10 -","- C58 H40 F4 N8 O10 -","- C232 H160 F16 N32 O40 -","4","1","","Mocilac, P.; Gallagher, J. F.","Halogenated tennimides and trezimides: impact of halogen bonding and solvent role on porous network formation and inclusion","CrystEngComm","2016","18","13","2375","","10.1039/C5CE02052B","","","1.54184","CuKα","","0.0677","0.0638","","","0.1931","0.1966","","","","","","1.11","","","","has coordinates,has disorder","181594","2020-10-21","18:00:00",""
"7224356","55.0537","0.001","36.3597","0.0005","10.6018","0.0002","90","","90","","90","","21222","0.6","294","2","294","2","","","","","","","","6","F d d 2","F 2 -2d","43","(ClIO)3:DMSO:H2O","","","- C171.04 H129.12 Cl12 N24 O36.52 S7.52 -","- C171.04 H129.12 Cl12 N24 O36.52 S7.52 -","- C684.16 H516.48 Cl48 N96 O146.08 S30.08 -","4","0.25","","Mocilac, P.; Gallagher, J. F.","Halogenated tennimides and trezimides: impact of halogen bonding and solvent role on porous network formation and inclusion","CrystEngComm","2016","18","13","2375","","10.1039/C5CE02052B","","","1.54184","CuKα","","0.0549","0.0497","","","0.1371","0.1426","","","","","","1.053","","","","has coordinates,has disorder","181594","2020-10-21","18:00:00",""
"7224357","13.8337","0.0001","19.0181","0.0001","19.0737","0.0001","90","","90","","90","","5018.11","0.05","294","2","294","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","(ClIO)4:CH2Cl2","","","- C106 H60 Cl12 N16 O16 -","- C106 H60 Cl12 N16 O16 -","- C212 H120 Cl24 N32 O32 -","2","0.25","","Mocilac, P.; Gallagher, J. F.","Halogenated tennimides and trezimides: impact of halogen bonding and solvent role on porous network formation and inclusion","CrystEngComm","2016","18","13","2375","","10.1039/C5CE02052B","","","1.54184","CuKα","","0.0451","0.0377","","","0.1066","0.1139","","","","","","1.023","","","","has coordinates,has disorder","181594","2020-10-21","18:00:00",""
"7224358","13.9556","0.0003","19.085","0.0004","19.123","0.0003","90","","90","","90","","5093.27","0.17","294","2","294","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","MIO4:CH2Cl2","","","- C57 H42 Cl2 N8 O8 -","- C57 H42 Cl2 N8 O8 -","- C228 H168 Cl8 N32 O32 -","4","0.5","","Mocilac, P.; Gallagher, J. F.","Halogenated tennimides and trezimides: impact of halogen bonding and solvent role on porous network formation and inclusion","CrystEngComm","2016","18","13","2375","","10.1039/C5CE02052B","","","1.54184","CuKα","","0.0768","0.0611","","","0.1395","0.1476","","","","","","1.091","","","","has coordinates,has disorder","181594","2020-10-21","18:00:00",""
"7224359","14.1849","0.0002","19.089","0.0002","19.1396","0.0002","90","","90","","90","","5182.54","0.11","294","2","294","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","MIO4:CHCl3","","","- C57 H41 Cl3 N8 O8 -","- C57 H41 Cl3 N8 O8 -","- C228 H164 Cl12 N32 O32 -","4","0.5","","Mocilac, P.; Gallagher, J. F.","Halogenated tennimides and trezimides: impact of halogen bonding and solvent role on porous network formation and inclusion","CrystEngComm","2016","18","13","2375","","10.1039/C5CE02052B","","","1.54184","CuKα","","0.061","0.0445","","","0.1143","0.1271","","","","","","1.029","","","","has coordinates,has disorder","181594","2020-10-21","18:00:00",""
"7224360","13.9915","0.0006","19.1005","0.0008","19.0658","0.0007","90","","90","","90","","5095.2","0.4","294","2","294","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","ClIO4 chloroform solvate","","","- C52.8 H28.8 Cl6.4 N8 O8 -","- C52.8 H28.8 Cl6.4 N8 O8 -","- C211.2 H115.2 Cl25.6 N32 O32 -","4","0.5","","Mocilac, P.; Gallagher, J. F.","Halogenated tennimides and trezimides: impact of halogen bonding and solvent role on porous network formation and inclusion","CrystEngComm","2016","18","13","2375","","10.1039/C5CE02052B","","","1.54184","CuKα","","0.1716","0.0491","","","0.0901","0.1178","","","","","","0.703","","","","has coordinates,has disorder","181594","2020-10-21","18:00:00",""
"7224361","13.6868","0.0009","19.0571","0.0011","19.07","0.0011","90","","90","","90","","4974","0.5","294","2","294","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","ClIO4 dichloromethane solvate","","","- C52.61 H29.22 Cl5.22 N8 O8 -","- C52.61 H29.22 Cl5.22 N8 O8 -","- C210.44 H116.88 Cl20.88 N32 O32 -","4","0.5","","Mocilac, P.; Gallagher, J. F.","Halogenated tennimides and trezimides: impact of halogen bonding and solvent role on porous network formation and inclusion","CrystEngComm","2016","18","13","2375","","10.1039/C5CE02052B","","","1.54184","CuKα","","0.0845","0.0553","","","0.1458","0.1723","","","","","","1.044","","","","has coordinates,has disorder","181594","2020-10-21","18:00:00",""
"7224362","40.2669","0.001","13.9032","0.0005","25.9948","0.0009","90","","104.201","0.003","90","","14108.2","0.8","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C80 H48 Co3 N4 O16 -","- C80 H48 Co3 N4 O16 -","- C320 H192 Co12 N16 O64 -","4","0.5","","Li, Xingjun; Jiang, Feilong; Chen, Lian; Wu, Mingyan; Lu, Shan; Pang, Jiandong; Zhou, Kang; Chen, Xueyuan; Hong, Maochun","Two microporous metal‒organic frameworks constructed from trinuclear cobalt(ii) and cadmium(ii) cluster subunits","CrystEngComm","2016","18","13","2239","","10.1039/C6CE00141F","","","1.54184","CuKα","","0.0539","0.0393","","","0.0862","0.0887","","","","","","1.023","","","","has coordinates","181595","2020-10-21","18:00:00",""
"7224363","26.9364","0.0007","22.1231","0.0004","26.0462","0.0008","90","","109.737","0.003","90","","14609.5","0.7","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C80 H48 Cd3 N4 O16 -","- C80 H48 Cd3 N4 O16 -","- C320 H192 Cd12 N16 O64 -","4","1","","Li, Xingjun; Jiang, Feilong; Chen, Lian; Wu, Mingyan; Lu, Shan; Pang, Jiandong; Zhou, Kang; Chen, Xueyuan; Hong, Maochun","Two microporous metal‒organic frameworks constructed from trinuclear cobalt(ii) and cadmium(ii) cluster subunits","CrystEngComm","2016","18","13","2239","","10.1039/C6CE00141F","","","1.54184","CuKα","","0.1186","0.0826","","","0.2405","0.2709","","","","","","1.057","","","","has coordinates","181595","2020-10-21","18:00:00",""
"7224364","7.782","0.0012","12.3602","0.0019","17.89","0.003","90","","98.316","0.002","90","","1702.7","0.5","298","2","298","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C18 H19 N O5 -","- C18 H19 N O5 -","- C72 H76 N4 O20 -","4","1","","gong, Yuefa; Huang, Zhimei","A Straightforward Sequence to Alkyl 1H-Pyrrole-2,5-dicarboxylates Starting from Acylhydrazono esters and Alkyl 2-Aroyl-1-chlorocyclopropanecarboxylates","RSC Adv.","2016","","","","","10.1039/C6RA01829G","","","0.71073","MoKα","","0.0764","0.054","","","0.1543","0.1761","","","","","","1.039","","","","has coordinates","206489","2020-10-21","18:00:00",""
"7224365","6.184","0.002","9.236","0.004","16.222","0.007","89.408","0.015","86.301","0.013","82.719","0.012","917.1","0.6","173.15","","173.15","","","","","","","","","4","P -1","-P 1","2","","","","- C23 H20 N2 O2 -","- C23 H20 N2 O2 -","- C46 H40 N4 O4 -","2","1","","Cao, Guorui; Wang, Yu; Cui, Tao; Huang, Longjiang; Teng, Dawei","Synthesis of 3,4,5-trisubstituted isoxazoles via 1,3-dipolar cycloaddition/SO2 extrusion of benzoisothiazole-2,2-dioxide-3-ylidenes with nitrile oxides","RSC Adv.","2016","","","","","10.1039/C5RA26718H","","","0.71073","MoKα","","0.0896","0.0776","","","0.1989","0.2069","","","","","","1.131","","","","has coordinates","176832","2020-10-21","18:00:00",""
"7224366","24.282","0.005","19.029","0.004","16.19","0.003","90","","100.99","0.03","90","","7344","3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C38 H37 N7 O6 Zn -","- C33.5 H25.5 N5.5 O4.5 Zn -","- C268 H204 N44 O36 Zn8 -","8","2","","Ghasempour, Hosein; Azhdari Tehrani, Alireza; Morsali, Ali; Wang, Jun; Junk, Peter C.","Two pillared metal‒organic frameworks comprising a long pillar ligand used as fluorescent sensors for nitrobenzene and heterogeneous catalysts for the Knoevenagel condensation reaction","CrystEngComm","2016","18","14","2463","","10.1039/C6CE00108D","","","0.71073","Synchrotron","","0.116","0.1046","","","0.2586","0.2651","","","","","","1.066","","","","has coordinates,has disorder","181623","2020-10-21","18:00:00",""
"7224367","24.286","0.005","18.962","0.004","16.247","0.003","90","","99.84","0.03","90","","7372","3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C38 H37 Cd N7 O6 -","- C32 H21.568 Cd N5 O4 -","- C256 H172.544 Cd8 N40 O32 -","8","2","","Ghasempour, Hosein; Azhdari Tehrani, Alireza; Morsali, Ali; Wang, Jun; Junk, Peter C.","Two pillared metal‒organic frameworks comprising a long pillar ligand used as fluorescent sensors for nitrobenzene and heterogeneous catalysts for the Knoevenagel condensation reaction","CrystEngComm","2016","18","14","2463","","10.1039/C6CE00108D","","","0.71073","Synchrotron","","0.1337","0.1108","","","0.316","0.3367","","","","","","1.201","","","","has coordinates,has disorder","181623","2020-10-21","18:00:00",""
"7224368","8.5269","0.0017","26.774","0.005","12.05","0.002","90","","105.38","0.03","90","","2652.5","0.9","293","2","293","2","","","","","","","","7","P 1 21/m 1","-P 2yb","11","","","","- C21 H20 Cu Gd I N4 O7.5 -","- C21 H19 Cu Gd I N4 O7.5 -","- C84 H76 Cu4 Gd4 I4 N16 O30 -","4","1","","Zeng, Guang; Xing, Shanghua; Wang, Xiuru; Yang, Yulin; Xiao, Yang; Li, Zhenhua; Li, Guanghua; Shi, Zhan; Feng, Shouhua","Synthesis, structures and luminescence properties of 3d‒4f heterometallic‒organic frameworks (HMOFs) constructed from different copper halide clusters","CrystEngComm","2016","18","23","4336","","10.1039/C5CE02544C","","","0.71073","MoKα","","0.0634","0.0535","","","0.126","0.1302","","","","","","1.094","","","","has coordinates","185290","2020-10-21","18:00:00",""
"7224369","25.493","0.004","25.493","0.004","9.1268","0.0018","90","","90","","90","","5931.4","1.8","293","2","293","2","","","","","","","","7","I -4 2 d","I -4 2bw","122","","","","- C21 H19 Cu2 Gd I2 N4 O7 -","- C21 H14 Cu2 Gd I2 N4 O7 -","- C168 H112 Cu16 Gd8 I16 N32 O56 -","8","0.5","","Zeng, Guang; Xing, Shanghua; Wang, Xiuru; Yang, Yulin; Xiao, Yang; Li, Zhenhua; Li, Guanghua; Shi, Zhan; Feng, Shouhua","Synthesis, structures and luminescence properties of 3d‒4f heterometallic‒organic frameworks (HMOFs) constructed from different copper halide clusters","CrystEngComm","2016","18","23","4336","","10.1039/C5CE02544C","","","0.71073","MoKα","","0.0326","0.0317","","","0.0797","0.0803","","","","","","1.055","","","","has coordinates,has disorder","185290","2020-10-21","18:00:00",""
"7224370","46.009","0.003","9.7333","0.0005","20.7159","0.0016","90","","105.77","0.004","90","","8927.8","1","293","2","293","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C38 H32 Cu3 Gd I3 N3 O8 -","- C38 H31 Cu3 Gd I3 N3 O8 -","- C304 H248 Cu24 Gd8 I24 N24 O64 -","8","1","","Zeng, Guang; Xing, Shanghua; Wang, Xiuru; Yang, Yulin; Xiao, Yang; Li, Zhenhua; Li, Guanghua; Shi, Zhan; Feng, Shouhua","Synthesis, structures and luminescence properties of 3d‒4f heterometallic‒organic frameworks (HMOFs) constructed from different copper halide clusters","CrystEngComm","2016","18","23","4336","","10.1039/C5CE02544C","","","0.71073","MoKα","","0.0748","0.0369","","","0.0808","0.0936","","","","","","0.939","","","","has coordinates","185290","2020-10-21","18:00:00",""
"7224371","9.6323","0.0019","16.676","0.003","21.182","0.004","104.08","0.03","100.39","0.03","97.03","0.03","3196.4","1.3","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C46 H48 Cu4 Gd I4 N3 O13 -","- C36 H28 Cu4 Gd I4 N3 O8 -","- C72 H56 Cu8 Gd2 I8 N6 O16 -","2","1","","Zeng, Guang; Xing, Shanghua; Wang, Xiuru; Yang, Yulin; Xiao, Yang; Li, Zhenhua; Li, Guanghua; Shi, Zhan; Feng, Shouhua","Synthesis, structures and luminescence properties of 3d‒4f heterometallic‒organic frameworks (HMOFs) constructed from different copper halide clusters","CrystEngComm","2016","18","23","4336","","10.1039/C5CE02544C","","","0.71073","MoKα","","0.0553","0.0392","","","0.1141","0.1201","","","","","","1.069","","","","has coordinates","185290","2020-10-21","18:00:00",""
"7224372","9.4336","0.0019","11.524","0.002","16.608","0.003","90","","100.88","0.03","90","","1773","0.6","113","2","113","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C15 H18 Cl N5 O4 S -","- C15 H18 Cl N5 O4 S -","- C60 H72 Cl4 N20 O16 S4 -","4","1","","Hua, Xue-Wen; Chen, Ming-Gui; Zhou, Shaa; Zhang, Dong-Kai; Liu, Ming; Zhou, Sha; Liu, Jing-Bo; Lei, Kang; Song, Hai-Bin; Li, Yong-Hong; Gu, Yucheng; Li, Zhengming","Research on Controllable Degradation of Sulfonylurea Herbicides","RSC Adv.","2016","","","","","10.1039/C5RA25765D","","","0.71073","MoKα","","0.054","0.0439","","","0.109","0.1156","","","","","","1.07","","","","has coordinates","176856","2020-10-21","18:00:00",""
"7224373","14.7272","0.0004","15.6359","0.0004","16.932","0.0005","113.914","0.001","96.98","0.001","95.989","0.002","3486.8","0.17","120","","120","","","","","","","","","6","P -1","-P 1","2","","","","- C112 H174 Na6 Ni4 O42 Si12 -","- C112 H174 Na6 Ni4 O42 Si12 -","- C112 H174 Na6 Ni4 O42 Si12 -","1","0.5","","Anisimov, Anton A.; Kononevich, Yuriy N.; Zhemchugov, Pavel V.; Milenin, Sergey A.; Korlyukov, Alexander A.; Tsareva, Ul'yana S.; Peregudov, Alexander S.; Dorovatovskii, Pavel V.; Molodtsova, Yuliya A.; Takazova, Rina U.; Shchegolikhina, Olga I.; Muzafarov, Aziz M.","Synthesis and structure of new polyhedral Ni, Na- and Cu, Na-metallasiloxanes with tolyl substituent at the silicon atom","RSC Adv.","2016","6","26","22052","","10.1039/C5RA26414F","","","1.54178","CuKα","","0.0759","0.0708","","","0.2018","0.2069","","","","","","1.045","","","","has coordinates,has disorder","176857","2020-10-21","18:00:00",""
"7224374","12.919","0.0006","13.675","0.0006","23.8149","0.0011","76.271","0.0011","77.6651","0.0011","74.0613","0.001","3880","0.3","120","","120","","","","","","","","","4","P -1","-P 1","2","","","","- C60 H96 O12 Si12 -","- C60 H96 O12 Si12 -","- C120 H192 O24 Si24 -","2","1","","Anisimov, Anton A.; Kononevich, Yuriy N.; Zhemchugov, Pavel V.; Milenin, Sergey A.; Korlyukov, Alexander A.; Tsareva, Ul'yana S.; Peregudov, Alexander S.; Dorovatovskii, Pavel V.; Molodtsova, Yuliya A.; Takazova, Rina U.; Shchegolikhina, Olga I.; Muzafarov, Aziz M.","Synthesis and structure of new polyhedral Ni, Na- and Cu, Na-metallasiloxanes with tolyl substituent at the silicon atom","RSC Adv.","2016","6","26","22052","","10.1039/C5RA26414F","","","0.71073","MoKα","","0.1656","0.0771","","","0.146","0.1851","","","","","","1.011","","","","has coordinates,has disorder","176857","2020-10-21","18:00:00",""
"7224375","24.6412","0.0009","19.7915","0.0007","27.463","0.001","90","","113.73","0.002","90","","12261","0.8","120","","120","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C95.6 H119 Cu4 Na4 O29.8 Si12 -","- C95.6 H119 Cu4 Na4 O29.8 Si12 -","- C382.4 H476 Cu16 Na16 O119.2 Si48 -","4","0.5","","Anisimov, Anton A.; Kononevich, Yuriy N.; Zhemchugov, Pavel V.; Milenin, Sergey A.; Korlyukov, Alexander A.; Tsareva, Ul'yana S.; Peregudov, Alexander S.; Dorovatovskii, Pavel V.; Molodtsova, Yuliya A.; Takazova, Rina U.; Shchegolikhina, Olga I.; Muzafarov, Aziz M.","Synthesis and structure of new polyhedral Ni, Na- and Cu, Na-metallasiloxanes with tolyl substituent at the silicon atom","RSC Adv.","2016","6","26","22052","","10.1039/C5RA26414F","","","1.54178","CuKα","","0.1159","0.0883","","","0.245","0.2771","","","","","","1.038","","","","has coordinates,has disorder","176857","2020-10-21","18:00:00",""
"7224376","18.511","0.004","19.755","0.004","26.771","0.005","71.01","0.03","88.51","0.03","62.94","0.03","8157","4","120","","120","","","","","","","","","4","P -1","-P 1","2","","","","- C129 H210 O24 Si24 -","- C129 H210 O24 Si24 -","- C258 H420 O48 Si48 -","2","1","","Anisimov, Anton A.; Kononevich, Yuriy N.; Zhemchugov, Pavel V.; Milenin, Sergey A.; Korlyukov, Alexander A.; Tsareva, Ul'yana S.; Peregudov, Alexander S.; Dorovatovskii, Pavel V.; Molodtsova, Yuliya A.; Takazova, Rina U.; Shchegolikhina, Olga I.; Muzafarov, Aziz M.","Synthesis and structure of new polyhedral Ni, Na- and Cu, Na-metallasiloxanes with tolyl substituent at the silicon atom","RSC Adv.","2016","6","26","22052","","10.1039/C5RA26414F","","","0.987","synchrotron","","0.0721","0.0519","","","0.146","0.1644","","","","","","1.136","","","","has coordinates","176857","2020-10-21","18:00:00",""
"7224377","8.9523","0.0011","10.8955","0.0015","13.2918","0.0018","83.854","0.01","89.882","0.009","89.928","0.009","1289","0.3","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C H Br N O -","- C4 H2.5 Br0.25 N0.25 O0.25 -","- C64 H40 Br4 N4 O4 -","16","8","","Dhiman, Shiv; Saini, Hitesh K.; Nandwana, Nitesh k; Kumar, Dalip; Kumar, Anil","Copper-Catalyzed Synthesis of Quinoline Derivatives via Tandem Knoevenagel Condensation, Amination and Cyclization","RSC Adv.","2016","","","","","10.1039/C6RA03798D","","","0.71073","MoKα","","0.3393","0.1522","","","0.2666","0.3295","","","","","","1.36","","","","has coordinates","176858","2020-10-21","18:00:00",""
"7224378","13.4208","0.0015","6.0747","0.0007","19.193","0.002","90","","90","","90","","1564.8","0.3","93","","93","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C4 H6 Br2 N2 O2 -","- C4 H6 Br2 N2 O2 -","- C32 H48 Br16 N16 O16 -","8","1","","Aitken, Kati M.; Aitken, R. Alan; Slawin, Alexandra MZ","Novel reaction of 3,4-dibromofuran with azo diesters to give tetrahydropyridazinones","RSC Adv.","2016","","","","","10.1039/C6RA02735K","","","0.7107","MoKα","","0.0378","0.0326","","","0.0756","0.0785","","","","","","1.065","","","","has coordinates","176859","2020-10-21","18:00:00",""
"7224379","11.676","0.005","9.708","0.004","14.448","0.007","90","","92.35","0.011","90","","1636.3","1.3","93","","93","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H16 Br2 N2 O5 -","- C12 H16 Br2 N2 O5 -","- C48 H64 Br8 N8 O20 -","4","1","","Aitken, Kati M.; Aitken, R. Alan; Slawin, Alexandra MZ","Novel reaction of 3,4-dibromofuran with azo diesters to give tetrahydropyridazinones","RSC Adv.","2016","","","","","10.1039/C6RA02735K","","","0.7107","MoKα","","0.1373","0.108","","","0.2634","0.2888","","","","","","1.105","","","","has coordinates","176859","2020-10-21","18:00:00",""
"7224380","11.1634","0.0004","24.517","0.0009","17.6569","0.0006","90","","94.801","0.001","90","","4815.6","0.3","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C44 H60 N8 O6 Ti2 -","- C44 H60 N8 O6 Ti2 -","- C176 H240 N32 O24 Ti8 -","4","0.5","","Mandal, Dipa; Chakraborty, Debashis; Ramkumar, Venkatachalam; Chand, Dillip Kumar","Group 4 alkoxide complexes containing [NNO]-type scaffold: synthesis, structural characterization and polymerization studies","RSC Adv.","2016","6","26","21706","","10.1039/C5RA26721H","","","0.71073","MoKα","","0.0538","0.0384","","","0.1006","0.1113","","","","","","1.022","","","","has coordinates","176860","2020-10-21","18:00:00",""
"7224381","9.9338","0.0013","11.1209","0.0015","14.56","0.002","106.403","0.006","91.013","0.007","108.188","0.006","1456","0.3","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C48 H68 Cl4 N8 O6 Zr2 -","- C48 H68 Cl4 N8 O6 Zr2 -","- C48 H68 Cl4 N8 O6 Zr2 -","1","0.5","","Mandal, Dipa; Chakraborty, Debashis; Ramkumar, Venkatachalam; Chand, Dillip Kumar","Group 4 alkoxide complexes containing [NNO]-type scaffold: synthesis, structural characterization and polymerization studies","RSC Adv.","2016","6","26","21706","","10.1039/C5RA26721H","","","0.71073","MoKα","","0.064","0.0483","","","0.1281","0.1496","","","","","","1.111","","","","has coordinates,has disorder","176860","2020-10-21","18:00:00",""
"7224382","9.6702","0.0003","10.9556","0.0003","14.5845","0.0004","108.448","0.001","90.6828","0.0011","101.232","0.001","1433.15","0.07","298","2","298","2","","","","","","","","6","P 1","P 1","1","","","","- C46 H62 Cl6 Hf2 N8 O6 -","- C46 H62 Cl6 Hf2 N8 O6 -","- C46 H62 Cl6 Hf2 N8 O6 -","1","1","","Mandal, Dipa; Chakraborty, Debashis; Ramkumar, Venkatachalam; Chand, Dillip Kumar","Group 4 alkoxide complexes containing [NNO]-type scaffold: synthesis, structural characterization and polymerization studies","RSC Adv.","2016","6","26","21706","","10.1039/C5RA26721H","","","0.71073","MoKα","","0.0228","0.0201","","","0.0474","0.049","","","","","","1.054","","","","has coordinates","176860","2020-10-21","18:00:00",""
"7224383","17.299","0.004","13.785","0.003","27.191","0.005","90","","101.13","0.03","90","","6362","2","298","2","298","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C33 H22 F6 N4 O2 P Rh -","- C33 H22 F6 N4 O2 P Rh -","- C264 H176 F48 N32 O16 P8 Rh8 -","8","2","","Esteghamat-Panah, Roya; Farrokhpour, hossein; Hadadzadeh, Hassan; Abyar, Fatemeh; Amiri Rudbari, Hadi","An Experimental and Quantum Chemical Study on the Non-covalent Interactions of a Cyclometallated Rh(III) Complex with DNA and BSA","RSC Adv.","2016","","","","","10.1039/C5RA24540K","","","0.71073","MoKα","","0.1206","0.0732","","","0.1852","0.2023","","","","","","0.967","","","","has coordinates,has disorder","176861","2020-10-21","18:00:00",""
"7224384","9.6221","0.0009","24.191","0.003","13.991","0.0014","90","","94.128","0.006","90","","3248.2","0.6","100","2","100","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C53 H68 Br10 Cd N8 O -","- C53 H64 Br10 Cd N8 O -","- C106 H128 Br20 Cd2 N16 O2 -","2","0.5","","Li, Lei; Tong, Jian; Guo, Fang; Martí-Rujas, Javier","Crystal engineering of a hybrid metal‒organic host framework and its single-crystal-to-single-crystal guest exchange using second sphere coordination","CrystEngComm","2016","18","13","2284","","10.1039/C5CE02093J","","","1.54178","CuKα","","0.0901","0.0608","","","0.1706","0.1855","","","","","","1.055","","","","has coordinates","181588","2020-10-21","18:00:00",""
"7224385","9.585","0.0019","24.232","0.005","14.047","0.003","90","","94.31","0.03","90","","3253.4","1.2","100","2","100","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C54 H68.4 Br10 Cd N9 O0.7 -","- C54 H67 Br10 Cd N9 O0.7 -","- C108 H134 Br20 Cd2 N18 O1.4 -","2","0.5","","Li, Lei; Tong, Jian; Guo, Fang; Martí-Rujas, Javier","Crystal engineering of a hybrid metal‒organic host framework and its single-crystal-to-single-crystal guest exchange using second sphere coordination","CrystEngComm","2016","18","13","2284","","10.1039/C5CE02093J","","","0.7749","Synchrotron","","0.0828","0.0773","","","0.2281","0.2343","","","","","","1.082","","","","has coordinates","181588","2020-10-21","18:00:00",""
"7224386","7.727","0.0007","31.123","0.002","9.4423","0.0009","90","","90.283","0.007","90","","2270.7","0.3","295","2","295","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C6 H20 Cl8 P2 Sb2 -","- C6 H20 Cl8 P2 Sb2 -","- C24 H80 Cl32 P8 Sb8 -","4","1","","Wojtaś, Maciej; Bil, Andrzej; Ga̧gor, Anna; Medycki, Wojciech; Kholkin, Andrei L.","Phase stability and dynamics of hybrid organic‒inorganic crystals [(CH3)3PH][SbCl4] and [(CH3)3PH][SbBr4]: a computational and NMR approach","CrystEngComm","2016","18","14","2413","","10.1039/C6CE00160B","","","0.71073","MoKα","","0.0575","0.0445","","","0.0761","0.0777","","","","","","1.546","","","","has coordinates","181616","2020-10-21","18:00:00",""
"7224387","7.696","0.0007","30.757","0.002","9.355","0.0009","90","","90.217","0.007","90","","2214.4","0.3","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C6 H20 Cl8 P2 Sb2 -","- C6 H20 Cl8 P2 Sb2 -","- C24 H80 Cl32 P8 Sb8 -","4","1","","Wojtaś, Maciej; Bil, Andrzej; Ga̧gor, Anna; Medycki, Wojciech; Kholkin, Andrei L.","Phase stability and dynamics of hybrid organic‒inorganic crystals [(CH3)3PH][SbCl4] and [(CH3)3PH][SbBr4]: a computational and NMR approach","CrystEngComm","2016","18","14","2413","","10.1039/C6CE00160B","","","0.71073","MoKα","","0.043","0.0371","","","0.1449","0.147","","","","","","1.522","","","","has coordinates","181616","2020-10-21","18:00:00",""
"7224388","10.9103","0.0002","19.8342","0.0004","11.3617","0.0002","90","","100.744","0.002","90","","2415.54","0.08","295","2","295","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C6 H20 Br8 P2 Sb2 -","- C6 H20 Br8 P2 Sb2 -","- C24 H80 Br32 P8 Sb8 -","4","1","","Wojtaś, Maciej; Bil, Andrzej; Ga̧gor, Anna; Medycki, Wojciech; Kholkin, Andrei L.","Phase stability and dynamics of hybrid organic‒inorganic crystals [(CH3)3PH][SbCl4] and [(CH3)3PH][SbBr4]: a computational and NMR approach","CrystEngComm","2016","18","14","2413","","10.1039/C6CE00160B","","","0.71073","MoKα","","0.0377","0.029","","","0.0729","0.075","","","","","","1.157","","","","has coordinates,has disorder","181616","2020-10-21","18:00:00",""
"7224389","10.4823","0.0003","11.2379","0.0004","14.4174","0.0005","71.223","0.003","84.65","0.003","71.987","0.003","1529.12","0.1","130","0.1","130","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C29 H36 N6 S2 Zn -","- C29 H36 N6 S2 Zn -","- C58 H72 N12 S4 Zn2 -","2","1","","Montazerozohori, Morteza; Farokhiani, Sara; Masoudiasl, Ardavan; White, Jonathan M.","Crystal structure, Hirshfeld surface analyses and thermal behavior of two new rare tetrahedral terminal zinc(II) azide and thiocyanate Schiff base complexes","RSC Adv.","2016","","","","","10.1039/C5RA26864H","","x-ray","0.71073","MoKα","","0.0563","0.0451","","","0.1177","0.1247","","","","","","1.057","","","","has coordinates","176934","2020-10-21","18:00:00",""
"7224390","22.0206","0.0007","10.0698","0.0003","26.9816","0.0009","90","","105.807","0.003","90","","5756.7","0.3","130","0.1","130","0.1","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C27 H36 N10 Zn -","- C27 H36 N10 Zn -","- C216 H288 N80 Zn8 -","8","1","","Montazerozohori, Morteza; Farokhiani, Sara; Masoudiasl, Ardavan; White, Jonathan M.","Crystal structure, Hirshfeld surface analyses and thermal behavior of two new rare tetrahedral terminal zinc(II) azide and thiocyanate Schiff base complexes","RSC Adv.","2016","","","","","10.1039/C5RA26864H","","x-ray","0.71073","MoKα","","0.0857","0.052","","","0.1242","0.1404","","","","","","1.022","","","","has coordinates","176934","2020-10-21","18:00:00",""
"7224391","16.6417","0.0018","5.4913","0.0006","23.838","0.003","90","","98.603","0.002","90","","2153.9","0.4","298","2","298","2","","","","","","","synthetic","6","P 1 21/n 1","-P 2yn","14","etoricoxib-adipic acid cocrystal","5-Chloro-6'-methyl-3-[4-(methylsulfonyl)phenyl]-2,3'-bipyridine-hexane-1,6-dicarboxylic acid","","- C21 H20 Cl N2 O4 S -","- C21 H20 Cl N2 O4 S -","- C84 H80 Cl4 N8 O16 S4 -","4","1","","Mittapalli, Sudhir; Bolla, Geetha; Perumalla, Sravankumar; Nangia, Ashwini","Can we exchange water in a hydrate structure: a case study of etoricoxib","CrystEngComm","2016","18","16","2825","","10.1039/C6CE00003G","","","0.71073","MoKα","","0.0632","0.0555","","","0.1444","0.1516","","","","","","1.025","","","","has coordinates","182654","2020-10-21","18:00:00",""
"7224392","12.552","0.003","12.574","0.003","14.989","0.003","96.69","0.003","114.553","0.002","90.099","0.003","2133.8","0.8","278","2","278","2","","","","","","","synthetic","6","P -1","-P 1","2","etoricoxib-caprolactam dihydrate","5-Chloro-6-methyl-3-[4-(methylsulfonyl)phenyl]-2,3-bipyridine-Azepan-2-one dihydrate","","- C42 H45 Cl2 N5 O7 S2 -","- C42 H45 Cl2 N5 O7 S2 -","- C84 H90 Cl4 N10 O14 S4 -","2","1","","Mittapalli, Sudhir; Bolla, Geetha; Perumalla, Sravankumar; Nangia, Ashwini","Can we exchange water in a hydrate structure: a case study of etoricoxib","CrystEngComm","2016","18","16","2825","","10.1039/C6CE00003G","","","0.71073","MoKα","","0.0526","0.044","","","0.1227","0.1295","","","","","","1.037","","","","has coordinates","182654","2020-10-21","18:00:00",""
"7224393","11.8317","0.0015","12.7266","0.0016","15.772","0.002","90","","90.203","0.002","90","","2374.9","0.5","298","2","298","2","","","","","","","synthetic","6","P 1 21/n 1","-P 2yn","14","etoricoxib-gluraric acid cocrystal","5-Chloro-6'-methyl-3-[4-(methylsulfonyl)phenyl]-2,3'-bipyridine-pentanedioic acid","","- C23 H23 Cl N2 O6 S -","- C23 H23 Cl N2 O6 S -","- C92 H92 Cl4 N8 O24 S4 -","4","1","","Mittapalli, Sudhir; Bolla, Geetha; Perumalla, Sravankumar; Nangia, Ashwini","Can we exchange water in a hydrate structure: a case study of etoricoxib","CrystEngComm","2016","18","16","2825","","10.1039/C6CE00003G","","","0.71073","MoKα","","0.0517","0.0445","","","0.1219","0.1281","","","","","","1.039","","","","has coordinates","182654","2020-10-21","18:00:00",""
"7224394","9.0238","0.0003","10.1284","0.0005","14.8544","0.0009","82.766","0.005","77.64","0.004","85.386","0.004","1313.61","0.11","298","2","298","2","","","","","","","synthetic","6","P -1","-P 1","2","etoricoxib-suberic acid cocrystal","5-Chloro-6-methyl-3-[4-(methylsulfonyl)phenyl]-2,3-bipyridine-octanedioic acid","","- C26 H29 Cl N2 O6 S -","- C26 H29 Cl N2 O6 S -","- C52 H58 Cl2 N4 O12 S2 -","2","1","","Mittapalli, Sudhir; Bolla, Geetha; Perumalla, Sravankumar; Nangia, Ashwini","Can we exchange water in a hydrate structure: a case study of etoricoxib","CrystEngComm","2016","18","16","2825","","10.1039/C6CE00003G","","","1.54184","CuKα","","0.0498","0.0424","","","0.1154","0.1219","","","","","","1.044","","","","has coordinates","182654","2020-10-21","18:00:00",""
"7224395","12.2796","0.0015","12.4817","0.001","14.8713","0.0018","95.187","0.008","113.754","0.012","91.242","0.008","2073.5","0.4","298","2","298","2","","","","","","","synthetic","6","P -1","-P 1","2","etoricoxib-suberic acid cocrystal hydrate","5-Chloro-6-methyl-3-[4-(methylsulfonyl)phenyl]-2,3-bipyridine-octanedioic acid trihydrate","","- C40 H41 Cl2 N4 O9 S2 -","- C40 H41 Cl2 N4 O9 S2 -","- C80 H82 Cl4 N8 O18 S4 -","2","1","","Mittapalli, Sudhir; Bolla, Geetha; Perumalla, Sravankumar; Nangia, Ashwini","Can we exchange water in a hydrate structure: a case study of etoricoxib","CrystEngComm","2016","18","16","2825","","10.1039/C6CE00003G","","","0.71073","MoKα","","0.1562","0.0649","","","0.0936","0.1307","","","","","","0.962","","","","has coordinates","182654","2020-10-21","18:00:00",""
"7224396","17.8823","0.0003","19.5954","0.0003","17.8056","0.0003","90","","100.948","0.002","90","","6125.72","0.18","120","2","120","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C16 H45 Al N O5 Si4 -","- C16 H45 Al N O5 Si4 -","- C128 H360 Al8 N8 O40 Si32 -","8","2","","Skoda, David; Styskalik, Ales; Moravec, Zdenek; Bezdicka, Petr; Babiak, Michal; Klementova, Mariana; Barnes, Craig; Pinkas, Jiri","Novel Non-hydrolytic Templated Sol-Gel Synthesis of Mesoporous Aluminosilicates and Their Use as Aminolysis Catalysts","RSC Adv.","2016","","","","","10.1039/C5RA24563J","","","0.71075","MolybdenumKα","","0.0642","0.0498","","","0.1379","0.1491","","","","","","1.042","","","","has coordinates,has disorder","176997","2020-10-21","18:00:00",""
"7224397","11.146","0.003","9.145","0.002","24.621","0.006","90","","101.099","0.004","90","","2462.7","1","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C20 H8 B Br8 F2 N3 -","- C20 H8 B Br8 F2 N3 -","- C80 H32 B4 Br32 F8 N12 -","4","1","","Sharma, Ritambhara; Gozebe, Habtom; Chatterjee, Tamal; Karr, Paul A.; DSouza, Francis; Ravikanth, Magalampalli","High singlet oxygen production and negative solvatochromism of octabrominated 3-pyrrolyl boron dipyrromethenes","RSC Adv.","2016","","","","","10.1039/C6RA01294A","","","0.7107","MoKα","","0.0509","0.043","","","0.0954","0.1004","","","","","","0.993","","","","has coordinates","176998","2020-10-21","18:00:00",""
"7224398","8.2284","0.0005","9.8021","0.0006","9.8519","0.0006","96.266","0.001","90.993","0.001","112.429","0.001","728.61","0.08","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C9 H14 Cd N3 Na O10 -","- C9 H14 Cd N3 Na O10 -","- C18 H28 Cd2 N6 Na2 O20 -","2","1","","Bai, Yue-Ling; Xu, Liangzhen; Bao, Xiaoli; Hou, Chaoyi; Zhao, Yongmei; Zhu, Shourong","Alkaline reagent-induced structural diversity of four metal‒organic frameworks based on a flexible bicarboxylate ligand","CrystEngComm","2016","18","13","2347","","10.1039/C6CE00170J","","","0.71073","MoKα","","0.0243","0.0231","","","0.0558","0.0573","","","","","","0.962","","","","has coordinates","181592","2020-10-21","18:00:00",""
"7224399","14.2044","0.0009","7.8754","0.0005","22.2696","0.0013","90","","90","","90","","2491.2","0.3","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C9 H11 Cd N3 O8 -","- C9 H11 Cd N3 O8 -","- C72 H88 Cd8 N24 O64 -","8","1","","Bai, Yue-Ling; Xu, Liangzhen; Bao, Xiaoli; Hou, Chaoyi; Zhao, Yongmei; Zhu, Shourong","Alkaline reagent-induced structural diversity of four metal‒organic frameworks based on a flexible bicarboxylate ligand","CrystEngComm","2016","18","13","2347","","10.1039/C6CE00170J","","","0.71073","MoKα","","0.0255","0.0208","","","0.0525","0.0552","","","","","","0.919","","","","has coordinates","181592","2020-10-21","18:00:00",""
"7224400","8.5713","0.0017","9.793","0.002","9.91","0.002","97.99","0.03","90.62","0.03","112.72","0.03","757.9","0.3","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C9 H14 Cd K N3 O10 -","- C9 H14 Cd K N3 O10 -","- C18 H28 Cd2 K2 N6 O20 -","2","1","","Bai, Yue-Ling; Xu, Liangzhen; Bao, Xiaoli; Hou, Chaoyi; Zhao, Yongmei; Zhu, Shourong","Alkaline reagent-induced structural diversity of four metal‒organic frameworks based on a flexible bicarboxylate ligand","CrystEngComm","2016","18","13","2347","","10.1039/C6CE00170J","","","0.71073","MoKα","","0.0319","0.0288","","","0.0677","0.0699","","","","","","0.928","","","","has coordinates","181592","2020-10-21","18:00:00",""
"7224401","8.6333","0.0003","9.7461","0.0003","10.2243","0.0003","92.742","0.001","105.95","0.001","115.039","0.001","736","0.04","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C10 H17 Cd N4 O9 -","- C10 H17 Cd N4 O9 -","- C20 H34 Cd2 N8 O18 -","2","1","","Bai, Yue-Ling; Xu, Liangzhen; Bao, Xiaoli; Hou, Chaoyi; Zhao, Yongmei; Zhu, Shourong","Alkaline reagent-induced structural diversity of four metal‒organic frameworks based on a flexible bicarboxylate ligand","CrystEngComm","2016","18","13","2347","","10.1039/C6CE00170J","","","0.71073","MoKα","","0.0171","0.0156","","","0.048","0.0599","","","","","","1.323","","","","has coordinates","181592","2020-10-21","18:00:00",""
"7224402","28.1876","0.0012","20.8706","0.0007","17.9257","0.0007","90","","106.239","0.005","90","","10124.8","0.7","123","0.1","123","0.1","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C56 H60 N4 O12 -","- C56 H60 N4 O12 -","- C448 H480 N32 O96 -","8","1","","Puttreddy, Rakesh; Beyeh, Ngong Kodiah; Rissanen, Kari","Conformational changes in Cmethyl-resorcinarene pyridine N-oxide inclusion complexes in the solid state","CrystEngComm","2016","18","26","4971","","10.1039/C6CE00240D","","x-ray","1.54184","CuKα","","0.094","0.0651","","","0.1663","0.1891","","","","","","1.025","","","","has coordinates,has disorder","185191","2020-10-21","18:00:00",""
"7224403","9.9521","0.0007","13.7594","0.001","15.1539","0.0012","113.562","0.007","94.266","0.006","90.364","0.006","1895.3","0.3","120","","120","","","","","","","","","4","P -1","-P 1","2","","","","- C44 H46 N2 O10 -","- C44 H46 N2 O10 -","- C88 H92 N4 O20 -","2","1","","Puttreddy, Rakesh; Beyeh, Ngong Kodiah; Rissanen, Kari","Conformational changes in Cmethyl-resorcinarene pyridine N-oxide inclusion complexes in the solid state","CrystEngComm","2016","18","26","4971","","10.1039/C6CE00240D","","x-ray","0.71073","MoKα","","0.0855","0.0518","","","0.1154","0.1339","","","","","","1.05","","","","has coordinates","185191","2020-10-21","18:00:00",""
"7224404","11.6839","0.0004","13.6838","0.0006","14.7557","0.0006","67.409","0.004","89.351","0.003","67.249","0.004","1982.39","0.17","120","0.1","120","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C45 H50 N2 O11 -","- C45 H50 N2 O11 -","- C90 H100 N4 O22 -","2","1","","Puttreddy, Rakesh; Beyeh, Ngong Kodiah; Rissanen, Kari","Conformational changes in Cmethyl-resorcinarene pyridine N-oxide inclusion complexes in the solid state","CrystEngComm","2016","18","26","4971","","10.1039/C6CE00240D","","x-ray","1.54184","CuKα","","0.0431","0.037","","","0.0973","0.1031","","","","","","1.023","","","","has coordinates","185191","2020-10-21","18:00:00",""
"7224405","18.6065","0.0003","14.6623","0.0003","14.2271","0.0003","90","","102.641","0.0018","90","","3787.27","0.13","123","","123","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C44 H46 N2 O12 -","- C44 H46 N2 O12 -","- C176 H184 N8 O48 -","4","0.5","","Puttreddy, Rakesh; Beyeh, Ngong Kodiah; Rissanen, Kari","Conformational changes in Cmethyl-resorcinarene pyridine N-oxide inclusion complexes in the solid state","CrystEngComm","2016","18","26","4971","","10.1039/C6CE00240D","","x-ray","1.54184","CuKα","","0.0352","0.0324","","","0.0816","0.0839","","","","","","1.05","","","","has coordinates","185191","2020-10-21","18:00:00",""
"7224406","10.8492","0.0006","20.9713","0.0008","11.4872","0.0006","90","","107.111","0.006","90","","2497.9","0.2","120","","120","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C48 H64 N4 O20 -","- C48 H64 N4 O20 -","- C96 H128 N8 O40 -","2","1","","Puttreddy, Rakesh; Beyeh, Ngong Kodiah; Rissanen, Kari","Conformational changes in Cmethyl-resorcinarene pyridine N-oxide inclusion complexes in the solid state","CrystEngComm","2016","18","26","4971","","10.1039/C6CE00240D","","x-ray","0.71073","MoKα","","0.0814","0.0668","","","0.1763","0.1896","","","","","","1.024","","","","has coordinates,has disorder","185191","2020-10-21","18:00:00",""
"7224407","13.3203","0.0004","16.1527","0.0004","20.8931","0.0004","90","","100.307","0.002","90","","4422.79","0.19","120","0.1","120","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C54 H50 N2 O10 -","- C54 H50 N2 O10 -","- C216 H200 N8 O40 -","4","1","","Puttreddy, Rakesh; Beyeh, Ngong Kodiah; Rissanen, Kari","Conformational changes in Cmethyl-resorcinarene pyridine N-oxide inclusion complexes in the solid state","CrystEngComm","2016","18","26","4971","","10.1039/C6CE00240D","","x-ray","1.54184","CuKα","","0.0633","0.039","","","0.0943","0.1011","","","","","","0.871","","","","has coordinates","185191","2020-10-21","18:00:00",""
"7224408","16.5611","0.0004","20.8203","0.0008","14.9973","0.0004","90","","90","","90","","5171.2","0.3","123.01","0.1","123.01","0.1","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C53 H58 N2 O16 -","- C53 H58 N2 O16 -","- C212 H232 N8 O64 -","4","0.5","","Puttreddy, Rakesh; Beyeh, Ngong Kodiah; Rissanen, Kari","Conformational changes in Cmethyl-resorcinarene pyridine N-oxide inclusion complexes in the solid state","CrystEngComm","2016","18","26","4971","","10.1039/C6CE00240D","","x-ray","1.54184","CuKα","","0.067","0.0542","","","0.149","0.159","","","","","","1.058","","","","has coordinates,has disorder","185191","2020-10-21","18:00:00",""
"7224409","16.805","0.0016","8.3008","0.0008","15.7976","0.0013","90","","100.259","0.009","90","","2168.5","0.3","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","Bis-glycine squarate","Bis-glycine squarate","","- C8 H12 N2 O8 -","- C8 H12 N2 O8 -","- C64 H96 N16 O64 -","8","1","","Kumar, Binay; Tyagi, Nidhi; Sinha, Nidhi; Yadav, Harsh","Growth, Crystal structure, Hirshfield surface, Dielectric and Mechanical properties of a new organic single crystal: Bis(glycine) squarate","RSC Adv.","2016","","","","","10.1039/C5RA18983G","","","0.71073","MoKα","","0.0642","0.0589","","","0.1709","0.1759","","","","","","1.049","","","","has coordinates","177037","2020-10-21","18:00:00",""
"7224410","20.7803","0.0012","7.9154","0.0008","17.299","0.002","90","","90","","90","","2845.4","0.5","100","0.13","100","0.13","","","","","","","","5","I b a m","-I 2 2c","72","","","","- C30 H18 Cd3 N2 O18 -","- C30 H18 Cd3 N2 O18 -","- C120 H72 Cd12 N8 O72 -","4","0.25","","Xing, Xiu-Shuang; Chen, Zi-Wei; Cai, Li-Zhen; Sun, Cai; Cai, Lin-Rong; Wang, Ming-Sheng; Guo, Guo-Cong","An electron-transfer photochromic metal‒organic framework (MOF) compound with long-lived charge-separated state and high-contrast photoswitchable luminescence","RSC Adv.","2016","","","","","10.1039/C5RA25707G","","","1.5418","CuKα","","0.0768","0.0394","","","0.0879","0.1067","","","","","","0.999","","","","has coordinates,has disorder","177038","2020-10-21","18:00:00",""
"7224411","34.8","0.008","7.4221","0.0014","5.6535","0.0013","90","","95.925","0.002","90","","1452.4","0.5","273","2","273","2","","","","","","","","4","C 1 c 1","C -2yc","9","","1,4-Bis(4-chlorophenyl)-2-hydroxybutane-1,4-dione","","- C16 H12 Cl2 O3 -","- C16 H12 Cl2 O3 -","- C64 H48 Cl8 O12 -","4","1","","Liu, Yongjun; Zhao, Hengmin; Tian, Guang; Du, Feng; Qi, Yan; Wen, Yonghong","A novel coupling reaction of α-halo ketones promoted by SmI3/CuI","RSC Adv.","2016","","","","","10.1039/C5RA26604A","","","0.71073","MoKα","","0.0714","0.0568","","","0.1524","0.1629","","","","","","1.054","","","","has coordinates","177039","2020-10-21","18:00:00",""
"7224412","11.4749","0.0005","10.5376","0.0004","17.8795","0.0009","90","","100.301","0.004","90","","2127.11","0.17","150","0.1","150","0.1","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C27 H24 O3 -","- C27 H24 O3 -","- C108 H96 O12 -","4","1","","Liu, Yongjun; Zhao, Hengmin; Tian, Guang; Du, Feng; Qi, Yan; Wen, Yonghong","A novel coupling reaction of α-halo ketones promoted by SmI3/CuI","RSC Adv.","2016","","","","","10.1039/C5RA26604A","","","0.71073","MoKα","","0.0795","0.0531","","","0.1198","0.1376","","","","","","1.062","","","","has coordinates","177039","2020-10-21","18:00:00",""
"7224413","9.4485","0.0009","12.2794","0.0012","12.7142","0.0012","101.186","0.003","96.606","0.003","94.608","0.003","1429.5","0.2","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C37 H29 N3 O3 -","- C37 H29 N3 O3 -","- C74 H58 N6 O6 -","2","1","","Lu, Yu-Ling; Sun, Jing; Xie, Ya-Jing; Yan, Chao Guo","Molecular diversity of cyclization reaction of 3-methyleneoxindoles with 2-(3,4-dihydronaphthalen-1(2H)-ylidene)malononitriles","RSC Adv.","2016","","","","","10.1039/C6RA00476H","","","0.71073","MoKα","","0.1127","0.0609","","","0.1219","0.1428","","","","","","1.03","","","","has coordinates","177040","2020-10-21","18:00:00",""
"7224414","11.1264","0.0014","12.6065","0.0015","13.9086","0.0018","115.208","0.003","104.177","0.004","100.747","0.004","1614.6","0.4","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C38 H31 Cl2 N3 O2 -","- C38 H31 Cl2 N3 O2 -","- C76 H62 Cl4 N6 O4 -","2","1","","Lu, Yu-Ling; Sun, Jing; Xie, Ya-Jing; Yan, Chao Guo","Molecular diversity of cyclization reaction of 3-methyleneoxindoles with 2-(3,4-dihydronaphthalen-1(2H)-ylidene)malononitriles","RSC Adv.","2016","","","","","10.1039/C6RA00476H","","","0.71073","MoKα","","0.1092","0.0693","","","0.1722","0.1983","","","","","","1.014","","","","has coordinates","177040","2020-10-21","18:00:00",""
"7224415","9.762","0.003","12.247","0.003","12.796","0.004","102.081","0.003","97.905","0.004","93.279","0.004","1475.9","0.7","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C37 H28 Cl N3 O2 -","- C37 H28 Cl N3 O2 -","- C74 H56 Cl2 N6 O4 -","2","1","","Lu, Yu-Ling; Sun, Jing; Xie, Ya-Jing; Yan, Chao Guo","Molecular diversity of cyclization reaction of 3-methyleneoxindoles with 2-(3,4-dihydronaphthalen-1(2H)-ylidene)malononitriles","RSC Adv.","2016","","","","","10.1039/C6RA00476H","","","0.71073","MoKα","","0.0949","0.0546","","","0.1115","0.131","","","","","","1.018","","","","has coordinates","177040","2020-10-21","18:00:00",""
"7224416","21.477","0.0017","19.1094","0.0015","15.1357","0.0016","90","","115.428","0.003","90","","5610.1","0.9","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C37 H28 F N3 O2 -","- C37 H28 F N3 O2 -","- C296 H224 F8 N24 O16 -","8","1","","Lu, Yu-Ling; Sun, Jing; Xie, Ya-Jing; Yan, Chao Guo","Molecular diversity of cyclization reaction of 3-methyleneoxindoles with 2-(3,4-dihydronaphthalen-1(2H)-ylidene)malononitriles","RSC Adv.","2016","","","","","10.1039/C6RA00476H","","","0.71073","MoKα","","0.122","0.0532","","","0.1004","0.123","","","","","","1.032","","","","has coordinates","177040","2020-10-21","18:00:00",""
"7224417","10.0199","0.0014","11.734","0.0017","14.518","0.002","113.413","0.004","100.127","0.004","100.25","0.004","1482.8","0.4","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C37 H28 Cl N3 O2 -","- C37 H28 Cl N3 O2 -","- C74 H56 Cl2 N6 O4 -","2","1","","Lu, Yu-Ling; Sun, Jing; Xie, Ya-Jing; Yan, Chao Guo","Molecular diversity of cyclization reaction of 3-methyleneoxindoles with 2-(3,4-dihydronaphthalen-1(2H)-ylidene)malononitriles","RSC Adv.","2016","","","","","10.1039/C6RA00476H","","","0.71073","MoKα","","0.15","0.0668","","","0.1533","0.1873","","","","","","1.012","","","","has coordinates","177040","2020-10-21","18:00:00",""
"7224418","11.0332","0.0012","11.9112","0.0013","13.6221","0.0014","115.242","0.003","92.285","0.003","115.031","0.003","1413.2","0.3","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C33 H29 Cl N4 O3 -","- C33 H29 Cl N4 O3 -","- C66 H58 Cl2 N8 O6 -","2","1","","Lu, Yu-Ling; Sun, Jing; Xie, Ya-Jing; Yan, Chao Guo","Molecular diversity of cyclization reaction of 3-methyleneoxindoles with 2-(3,4-dihydronaphthalen-1(2H)-ylidene)malononitriles","RSC Adv.","2016","","","","","10.1039/C6RA00476H","","","0.71073","MoKα","","0.1064","0.0697","","","0.1661","0.1888","","","","","","1.046","","","","has coordinates","177040","2020-10-21","18:00:00",""
"7224419","9.6977","0.0016","12.259","0.002","12.29","0.002","97.229","0.005","102.017","0.005","92.943","0.005","1413.2","0.4","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C34 H30 Cl N3 O2 -","- C34 H30 Cl N3 O2 -","- C68 H60 Cl2 N6 O4 -","2","1","","Lu, Yu-Ling; Sun, Jing; Xie, Ya-Jing; Yan, Chao Guo","Molecular diversity of cyclization reaction of 3-methyleneoxindoles with 2-(3,4-dihydronaphthalen-1(2H)-ylidene)malononitriles","RSC Adv.","2016","","","","","10.1039/C6RA00476H","","","0.71073","MoKα","","0.1926","0.0775","","","0.1344","0.1743","","","","","","1.043","","","","has coordinates","177040","2020-10-21","18:00:00",""
"7224420","24.966","0.007","14.424","0.004","7.728","0.002","90","","96.871","0.003","90","","2762.9","1.3","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C33 H29 N3 O3 -","- C33 H29 N3 O3 -","- C132 H116 N12 O12 -","4","1","","Lu, Yu-Ling; Sun, Jing; Xie, Ya-Jing; Yan, Chao Guo","Molecular diversity of cyclization reaction of 3-methyleneoxindoles with 2-(3,4-dihydronaphthalen-1(2H)-ylidene)malononitriles","RSC Adv.","2016","","","","","10.1039/C6RA00476H","","","0.71073","MoKα","","0.0673","0.0528","","","0.1353","0.1463","","","","","","1.023","","","","has coordinates","177040","2020-10-21","18:00:00",""
"7224421","14.837","0.002","11.2462","0.0016","20.714","0.003","90","","129.956","0.008","90","","2649.4","0.7","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C32 H26 Cl N3 O3 -","- C32 H26 Cl N3 O3 -","- C128 H104 Cl4 N12 O12 -","4","1","","Lu, Yu-Ling; Sun, Jing; Xie, Ya-Jing; Yan, Chao Guo","Molecular diversity of cyclization reaction of 3-methyleneoxindoles with 2-(3,4-dihydronaphthalen-1(2H)-ylidene)malononitriles","RSC Adv.","2016","","","","","10.1039/C6RA00476H","","","0.71073","MoKα","","0.1342","0.0533","","","0.1049","0.1285","","","","","","1.007","","","","has coordinates","177040","2020-10-21","18:00:00",""
"7224422","10.113","0.004","12.254","0.004","12.833","0.004","109.262","0.009","105.103","0.01","96.708","0.01","1413.1","0.9","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C32 H26 Cl N3 O3 -","- C32 H26 Cl N3 O3 -","- C64 H52 Cl2 N6 O6 -","2","1","","Lu, Yu-Ling; Sun, Jing; Xie, Ya-Jing; Yan, Chao Guo","Molecular diversity of cyclization reaction of 3-methyleneoxindoles with 2-(3,4-dihydronaphthalen-1(2H)-ylidene)malononitriles","RSC Adv.","2016","","","","","10.1039/C6RA00476H","","","0.71073","MoKα","","0.2129","0.0634","","","0.1245","0.1517","","","","","","0.892","","","","has coordinates","177040","2020-10-21","18:00:00",""
"7224423","8.1518","0.0011","10.9237","0.0015","11.5922","0.0016","98.582","0.004","92.039","0.004","96.41","0.004","1012.9","0.2","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C25 H19 N3 O3 -","- C25 H19 N3 O3 -","- C50 H38 N6 O6 -","2","1","","Lu, Yu-Ling; Sun, Jing; Xie, Ya-Jing; Yan, Chao Guo","Molecular diversity of cyclization reaction of 3-methyleneoxindoles with 2-(3,4-dihydronaphthalen-1(2H)-ylidene)malononitriles","RSC Adv.","2016","","","","","10.1039/C6RA00476H","","","0.71073","MoKα","","0.0799","0.0604","","","0.1674","0.1846","","","","","","1.051","","","","has coordinates,has disorder","177040","2020-10-21","18:00:00",""
"7224424","9.69","0.004","10.994","0.004","14.661","0.006","111.644","0.012","92.109","0.013","107.964","0.012","1360.8","1","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C32 H27 F N2 O4 -","- C32 H27 F N2 O4 -","- C64 H54 F2 N4 O8 -","2","1","","Lu, Yu-Ling; Sun, Jing; Xie, Ya-Jing; Yan, Chao Guo","Molecular diversity of cyclization reaction of 3-methyleneoxindoles with 2-(3,4-dihydronaphthalen-1(2H)-ylidene)malononitriles","RSC Adv.","2016","","","","","10.1039/C6RA00476H","","","0.71073","MoKα","","0.1103","0.0776","","","0.2123","0.2412","","","","","","1.039","","","","has coordinates","177040","2020-10-21","18:00:00",""
"7224425","9.952","0.002","11.806","0.003","14.493","0.003","113.309","0.005","99.794","0.006","100.84","0.006","1478.4","0.6","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C37 H27 Cl N2 O3 -","- C37 H27 Cl N2 O3 -","- C74 H54 Cl2 N4 O6 -","2","1","","Lu, Yu-Ling; Sun, Jing; Xie, Ya-Jing; Yan, Chao Guo","Molecular diversity of cyclization reaction of 3-methyleneoxindoles with 2-(3,4-dihydronaphthalen-1(2H)-ylidene)malononitriles","RSC Adv.","2016","","","","","10.1039/C6RA00476H","","","0.71073","MoKα","","0.1399","0.0785","","","0.1686","0.1918","","","","","","1.062","","","","has coordinates","177040","2020-10-21","18:00:00",""
"7224426","8.8879","0.0014","10.2517","0.0015","15.125","0.002","87.979","0.005","74.042","0.005","88.22","0.005","1323.9","0.3","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C32 H26 F N3 O3 -","- C32 H26 F N3 O3 -","- C64 H52 F2 N6 O6 -","2","1","","Lu, Yu-Ling; Sun, Jing; Xie, Ya-Jing; Yan, Chao Guo","Molecular diversity of cyclization reaction of 3-methyleneoxindoles with 2-(3,4-dihydronaphthalen-1(2H)-ylidene)malononitriles","RSC Adv.","2016","","","","","10.1039/C6RA00476H","","","0.71073","MoKα","","0.1384","0.0578","","","0.1329","0.1596","","","","","","1.015","","","","has coordinates","177040","2020-10-21","18:00:00",""
"7224427","14.6","0.001","17.903","0.001","23.642","0.002","90","","90","","90","","6179.6","0.8","190","2","190","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C70 H88 O16 P2 -","- C64 H73 O16 P2 -","- C256 H292 O64 P8 -","4","1","","Barboza, T.; Pinalli, R.; Massera, C.; Dalcanale, E.","Diphosphonate cavitands as molecular cups forl-lactic acid","CrystEngComm","2016","18","26","4958","","10.1039/C6CE00270F","","","0.71069","MoKα","","0.0947","0.0754","","","0.2274","0.2523","","","","","","0.999","","","","has coordinates","185193","2020-10-21","18:00:00",""
"7224428","19.079","0.001","21.608","0.001","26.346","0.002","90","","90","","90","","10861.4","1.1","190","2","190","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C61 H68 O13 P2 -","- C61 H68 O13 P2 -","- C488 H544 O104 P16 -","8","2","","Barboza, T.; Pinalli, R.; Massera, C.; Dalcanale, E.","Diphosphonate cavitands as molecular cups forl-lactic acid","CrystEngComm","2016","18","26","4958","","10.1039/C6CE00270F","","","0.71069","MoKα","","0.1458","0.0824","","","0.2204","0.2711","","","","","","1.011","","","","has coordinates","185193","2020-10-21","18:00:00",""
"7224429","9.7558","0.0002","10.5549","0.0002","16.5111","0.0004","90","","112.447","0.002","90","","1571.36","0.06","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C8 H15 Eu N O12 P -","- C8 H15 Eu N O12 P -","- C32 H60 Eu4 N4 O48 P4 -","4","1","","Wang, Guang-Tu; Zhang, Jing-Chuan; Tang, Zeng-Yi; Zhou, Heng-Tai; Zhang, Li; Yang, Rui-Wu; Zou, Ping; Yu, Ying-Hui; Gao, Jin-Sheng; Hou, Guang-Feng","Synthesis, structures, luminescence and magnetism of nine lanthanide complexes with three-dimensional frameworks constructed from 2-(pyridyl-N-oxide)methylphosphonic acid and oxalic acid","CrystEngComm","2016","18","14","2437","","10.1039/C6CE00023A","","","0.71073","MoKα","","0.0278","0.0247","","","0.0593","0.0612","","","","","","1.025","","","","has coordinates","181624","2020-10-21","18:00:00",""
"7224430","9.7306","0.0019","10.53","0.002","16.416","0.005","90","","112.13","0.02","90","","1558.1","0.7","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C8 H15 Gd N O12 P -","- C8 H15 Gd N O12 P -","- C32 H60 Gd4 N4 O48 P4 -","4","1","","Wang, Guang-Tu; Zhang, Jing-Chuan; Tang, Zeng-Yi; Zhou, Heng-Tai; Zhang, Li; Yang, Rui-Wu; Zou, Ping; Yu, Ying-Hui; Gao, Jin-Sheng; Hou, Guang-Feng","Synthesis, structures, luminescence and magnetism of nine lanthanide complexes with three-dimensional frameworks constructed from 2-(pyridyl-N-oxide)methylphosphonic acid and oxalic acid","CrystEngComm","2016","18","14","2437","","10.1039/C6CE00023A","","","0.71073","MoKα","","0.0261","0.0246","","","0.0606","0.0614","","","","","","1.153","","","","has coordinates","181624","2020-10-21","18:00:00",""
"7224431","9.7284","0.0003","10.4717","0.0003","16.4594","0.0006","90","","112.511","0.003","90","","1549.01","0.09","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C8 H15 N O12 P Tb -","- C8 H15 N O12 P Tb -","- C32 H60 N4 O48 P4 Tb4 -","4","1","","Wang, Guang-Tu; Zhang, Jing-Chuan; Tang, Zeng-Yi; Zhou, Heng-Tai; Zhang, Li; Yang, Rui-Wu; Zou, Ping; Yu, Ying-Hui; Gao, Jin-Sheng; Hou, Guang-Feng","Synthesis, structures, luminescence and magnetism of nine lanthanide complexes with three-dimensional frameworks constructed from 2-(pyridyl-N-oxide)methylphosphonic acid and oxalic acid","CrystEngComm","2016","18","14","2437","","10.1039/C6CE00023A","","","0.71073","MoKα","","0.0243","0.022","","","0.0541","0.0552","","","","","","1.092","","","","has coordinates","181624","2020-10-21","18:00:00",""
"7224432","9.7192","0.0002","10.4517","0.0002","16.4217","0.0004","90","","112.58","0.002","90","","1540.28","0.06","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C8 H15 Dy N O12 P -","- C8 H15 Dy N O12 P -","- C32 H60 Dy4 N4 O48 P4 -","4","1","","Wang, Guang-Tu; Zhang, Jing-Chuan; Tang, Zeng-Yi; Zhou, Heng-Tai; Zhang, Li; Yang, Rui-Wu; Zou, Ping; Yu, Ying-Hui; Gao, Jin-Sheng; Hou, Guang-Feng","Synthesis, structures, luminescence and magnetism of nine lanthanide complexes with three-dimensional frameworks constructed from 2-(pyridyl-N-oxide)methylphosphonic acid and oxalic acid","CrystEngComm","2016","18","14","2437","","10.1039/C6CE00023A","","","0.71073","MoKα","","0.0264","0.0239","","","0.0605","0.0618","","","","","","1.07","","","","has coordinates","181624","2020-10-21","18:00:00",""
"7224433","9.7216","0.0003","10.4273","0.0003","16.4046","0.0006","90","","112.678","0.003","90","","1534.37","0.09","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C8 H15 Ho N O12 P -","- C8 H15 Ho N O12 P -","- C32 H60 Ho4 N4 O48 P4 -","4","1","","Wang, Guang-Tu; Zhang, Jing-Chuan; Tang, Zeng-Yi; Zhou, Heng-Tai; Zhang, Li; Yang, Rui-Wu; Zou, Ping; Yu, Ying-Hui; Gao, Jin-Sheng; Hou, Guang-Feng","Synthesis, structures, luminescence and magnetism of nine lanthanide complexes with three-dimensional frameworks constructed from 2-(pyridyl-N-oxide)methylphosphonic acid and oxalic acid","CrystEngComm","2016","18","14","2437","","10.1039/C6CE00023A","","","0.71073","MoKα","","0.0251","0.0228","","","0.0552","0.0568","","","","","","1.016","","","","has coordinates","181624","2020-10-21","18:00:00",""
"7224434","10.989","0.002","11.526","0.002","14.98","0.003","90","","90","","90","","1897.4","0.6","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C10 H14 Er2 N O16 P -","- C10 H14 Er2 N O16 P -","- C40 H56 Er8 N4 O64 P4 -","4","1","","Wang, Guang-Tu; Zhang, Jing-Chuan; Tang, Zeng-Yi; Zhou, Heng-Tai; Zhang, Li; Yang, Rui-Wu; Zou, Ping; Yu, Ying-Hui; Gao, Jin-Sheng; Hou, Guang-Feng","Synthesis, structures, luminescence and magnetism of nine lanthanide complexes with three-dimensional frameworks constructed from 2-(pyridyl-N-oxide)methylphosphonic acid and oxalic acid","CrystEngComm","2016","18","14","2437","","10.1039/C6CE00023A","","","0.71073","MoKα","","0.0161","0.0157","","","0.0396","0.0397","","","","","","1.073","","","","has coordinates","181624","2020-10-21","18:00:00",""
"7224435","10.9138","0.0003","11.4793","0.0003","14.9124","0.0003","90","","90","","90","","1868.27","0.08","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C10 H14 N O16 P Tm2 -","- C10 H14 N O16 P Tm2 -","- C40 H56 N4 O64 P4 Tm8 -","4","1","","Wang, Guang-Tu; Zhang, Jing-Chuan; Tang, Zeng-Yi; Zhou, Heng-Tai; Zhang, Li; Yang, Rui-Wu; Zou, Ping; Yu, Ying-Hui; Gao, Jin-Sheng; Hou, Guang-Feng","Synthesis, structures, luminescence and magnetism of nine lanthanide complexes with three-dimensional frameworks constructed from 2-(pyridyl-N-oxide)methylphosphonic acid and oxalic acid","CrystEngComm","2016","18","14","2437","","10.1039/C6CE00023A","","","0.71073","MoKα","","0.0338","0.033","","","0.0832","0.0839","","","","","","1.049","","","","has coordinates","181624","2020-10-21","18:00:00",""
"7224436","10.901","0.002","11.447","0.002","14.89","0.003","90","","90","","90","","1858","0.6","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C10 H14 N O16 P Yb2 -","- C10 H14 N O16 P Yb2 -","- C40 H56 N4 O64 P4 Yb8 -","4","1","","Wang, Guang-Tu; Zhang, Jing-Chuan; Tang, Zeng-Yi; Zhou, Heng-Tai; Zhang, Li; Yang, Rui-Wu; Zou, Ping; Yu, Ying-Hui; Gao, Jin-Sheng; Hou, Guang-Feng","Synthesis, structures, luminescence and magnetism of nine lanthanide complexes with three-dimensional frameworks constructed from 2-(pyridyl-N-oxide)methylphosphonic acid and oxalic acid","CrystEngComm","2016","18","14","2437","","10.1039/C6CE00023A","","","0.71073","MoKα","","0.0247","0.0234","","","0.0463","0.0466","","","","","","1.147","","","","has coordinates","181624","2020-10-21","18:00:00",""
"7224437","10.8491","0.0002","11.4465","0.0002","14.8471","0.0003","90","","90","","90","","1843.78","0.06","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C10 H14 Lu2 N O16 P -","- C10 H14 Lu2 N O16 P -","- C40 H56 Lu8 N4 O64 P4 -","4","1","","Wang, Guang-Tu; Zhang, Jing-Chuan; Tang, Zeng-Yi; Zhou, Heng-Tai; Zhang, Li; Yang, Rui-Wu; Zou, Ping; Yu, Ying-Hui; Gao, Jin-Sheng; Hou, Guang-Feng","Synthesis, structures, luminescence and magnetism of nine lanthanide complexes with three-dimensional frameworks constructed from 2-(pyridyl-N-oxide)methylphosphonic acid and oxalic acid","CrystEngComm","2016","18","14","2437","","10.1039/C6CE00023A","","","0.71073","MoKα","","0.0276","0.0257","","","0.0527","0.0535","","","","","","1.063","","","","has coordinates","181624","2020-10-21","18:00:00",""
"7224438","19.1983","0.0008","10.9513","0.0004","22.9245","0.0009","90","","96.2213","0.0016","90","","4791.4","0.3","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C24 H28 Cl2 O7 -","- C24 H28 Cl2 O7 -","- C192 H224 Cl16 O56 -","8","1","","Xing, Qian; Gan, Li-She; Mou, Xiao-Feng; Wang, Wei; Wang, Chang-Yun; Wei, Mei-Yan; Shao, Chang-Lun","Isolation, resolution and biological evaluation of pestalachlorides E and F containing both point and axial chirality","RSC Adv.","2016","6","27","22653","","10.1039/C6RA00374E","","","1.54178","CuKα","","0.0688","0.0636","","","0.1662","0.1723","","","","","","1.053","","","","has coordinates","177089","2020-10-21","18:00:00",""
"7224439","15.198","0.003","15.38","0.004","16.755","0.004","79.01","0.03","69.01","0.03","60.419","0.018","3179.5","1.5","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C128 H152 F24 N6 O24 P4 -","- C128 H152 F24 N6 O24 P4 -","- C128 H152 F24 N6 O24 P4 -","1","0.5","","Han, Ying; Liang, Tong-Ling; Hao, Xiang; Chen, Chuan-Feng","Solid-state “Russian doll”-like capsules based on a triptycene-derived macrotricyclic host with paraquat derivative and polycyclic aromatic hydrocarbons","CrystEngComm","2016","18","26","4900","","10.1039/C6CE00204H","","","0.71073","MoKα","","0.2324","0.1877","","","0.4038","0.4518","","","","","","2.114","","","","has coordinates","185187","2020-10-21","18:00:00",""
"7224440","16.467","0.004","16.942","0.005","26.1","0.007","81.578","0.009","83.78","0.011","85.515","0.012","7146","3","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C128 H148 F24 N4 O24 P4 -","- C128 H148 F24 N4 O24 P4 -","- C256 H296 F48 N8 O48 P8 -","2","1","","Han, Ying; Liang, Tong-Ling; Hao, Xiang; Chen, Chuan-Feng","Solid-state “Russian doll”-like capsules based on a triptycene-derived macrotricyclic host with paraquat derivative and polycyclic aromatic hydrocarbons","CrystEngComm","2016","18","26","4900","","10.1039/C6CE00204H","","","0.71073","MoKα","","0.23","0.1657","","","0.38","0.4074","","","","","","1.656","","","","has coordinates","185187","2020-10-21","18:00:00",""
"7224441","15.07","0.004","15.155","0.003","16.795","0.004","69.85","0.02","78.78","0.02","60.465","0.016","3131.6","1.4","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C118 H146 F24 N6 O24 P4 S4 -","- C118 H146 F24 N6 O24 P4 S4 -","- C118 H146 F24 N6 O24 P4 S4 -","1","0.5","","Han, Ying; Liang, Tong-Ling; Hao, Xiang; Chen, Chuan-Feng","Solid-state “Russian doll”-like capsules based on a triptycene-derived macrotricyclic host with paraquat derivative and polycyclic aromatic hydrocarbons","CrystEngComm","2016","18","26","4900","","10.1039/C6CE00204H","","","0.71073","MoKα","","0.1697","0.135","","","0.3082","0.3333","","","","","","1.433","","","","has coordinates","185187","2020-10-21","18:00:00",""
"7224442","15.109","0.003","15.144","0.003","16.813","0.003","79.04","0.03","69.65","0.03","60.46","0.03","3137.2","1.5","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C120 H146 F24 N6 O24 P4 S3 -","- C120 H146 F24 N6 O24 P4 S3 -","- C120 H146 F24 N6 O24 P4 S3 -","1","0.5","","Han, Ying; Liang, Tong-Ling; Hao, Xiang; Chen, Chuan-Feng","Solid-state “Russian doll”-like capsules based on a triptycene-derived macrotricyclic host with paraquat derivative and polycyclic aromatic hydrocarbons","CrystEngComm","2016","18","26","4900","","10.1039/C6CE00204H","","","0.71073","MoKα","","0.1569","0.1348","","","0.3371","0.3623","","","","","","2.13","","","","has coordinates,has disorder","185187","2020-10-21","18:00:00",""
"7224443","7.0536","0.0019","9.661","0.003","18.08","0.005","84.809","0.005","78.965","0.005","80.563","0.005","1190.7","0.6","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C20 H24 Cl3 N6 O3 Sm -","- C20 H24 Cl3 N6 O3 Sm -","- C40 H48 Cl6 N12 O6 Sm2 -","2","1","","Dasari, Srikanth; Abbas, Zafar; Kumar, Priyaranjan; Patra, Ashis K.","Photosensitized samarium(iii) and erbium(iii) complexes of planar N,N-donor heterocyclic bases: crystal structures and evaluation of biological activity","CrystEngComm","2016","18","23","4313","","10.1039/C5CE02387D","","","0.71073","MoKα","","0.028","0.0254","","","0.0618","0.063","","","","","","1.093","","","","has coordinates","185282","2020-10-21","18:00:00",""
"7224444","7.0374","0.0007","9.4788","0.001","20.619","0.002","93.687","0.003","99.462","0.003","98.885","0.002","1334.7","0.2","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C24 H26 Cl3 N6 O3 Sm -","- C24 H24 Cl3 N6 O3 Sm -","- C48 H48 Cl6 N12 O6 Sm2 -","2","1","","Dasari, Srikanth; Abbas, Zafar; Kumar, Priyaranjan; Patra, Ashis K.","Photosensitized samarium(iii) and erbium(iii) complexes of planar N,N-donor heterocyclic bases: crystal structures and evaluation of biological activity","CrystEngComm","2016","18","23","4313","","10.1039/C5CE02387D","","","0.71073","MoKα","","0.0375","0.0297","","","0.0755","0.0928","","","","","","1.194","","","","has coordinates","185282","2020-10-21","18:00:00",""
"7224445","7.8039","0.0008","12.3957","0.0013","12.9005","0.0014","75.916","0.002","75.023","0.002","82.22","0.002","1165.8","0.2","100","2","100","2","","","","","","","","6","P -1","-P 1","2","Erdpq1","","","- C20 H22 Cl3 Er N6 O2 -","- C20 H22 Cl3 Er N6 O2 -","- C40 H44 Cl6 Er2 N12 O4 -","2","1","","Dasari, Srikanth; Abbas, Zafar; Kumar, Priyaranjan; Patra, Ashis K.","Photosensitized samarium(iii) and erbium(iii) complexes of planar N,N-donor heterocyclic bases: crystal structures and evaluation of biological activity","CrystEngComm","2016","18","23","4313","","10.1039/C5CE02387D","","","0.71073","MoKα","","0.0679","0.0652","","","0.2077","0.2089","","","","","","1.381","","","","has coordinates","185282","2020-10-21","18:00:00",""
"7224446","21.54","0.004","17.225","0.003","19.377","0.004","90","","90","","90","","7189","2","100","","100","","","","","","","","","5","P c c n","-P 2ab 2ac","56","Erdppz2","","","- C36 H20 Cl3 Er N8 -","- C36 H20 Cl3 Er N8 -","- C288 H160 Cl24 Er8 N64 -","8","1","","Dasari, Srikanth; Abbas, Zafar; Kumar, Priyaranjan; Patra, Ashis K.","Photosensitized samarium(iii) and erbium(iii) complexes of planar N,N-donor heterocyclic bases: crystal structures and evaluation of biological activity","CrystEngComm","2016","18","23","4313","","10.1039/C5CE02387D","","","0.71073","MoKα","","0.0445","0.0343","","","0.0825","0.0872","","","","","","1.049","","","","has coordinates","185282","2020-10-21","18:00:00",""
"7224447","8.5167","0.0004","8.9163","0.0004","22.2579","0.001","90","","90","","90","","1690.21","0.13","295","","295","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C14 H12 Cd N4 O2 S2 -","- C14 H12 Cd N4 O2 S2 -","- C56 H48 Cd4 N16 O8 S8 -","4","1","","Nawrot, I.; Machura, B.; Kruszynski, R.","Exploration of Cd(ii)/pseudohalide/di-2-pyridyl ketone chemistry ‒ rational synthesis, structural analysis and photoluminescence","CrystEngComm","2016","18","15","2650","","10.1039/C6CE00112B","","","0.71073","MoKα","","0.0346","0.0284","","","0.0592","0.0612","","","","","","1.063","","","","has coordinates","182642","2020-10-21","18:00:00",""
"7224448","8.5984","0.0006","9.9463","0.0007","10.6576","0.0006","100.46","0.005","108.911","0.005","92.653","0.005","842.5","0.1","295","","295","","","","","","","","","6","P -1","-P 1","2","","","","- C28 H24 Cd2 N8 O4 S4 -","- C28 H24 Cd2 N8 O4 S4 -","- C28 H24 Cd2 N8 O4 S4 -","1","0.5","","Nawrot, I.; Machura, B.; Kruszynski, R.","Exploration of Cd(ii)/pseudohalide/di-2-pyridyl ketone chemistry ‒ rational synthesis, structural analysis and photoluminescence","CrystEngComm","2016","18","15","2650","","10.1039/C6CE00112B","","","0.71073","MoKα","","0.0558","0.0426","","","0.0962","0.101","","","","","","1.017","","","","has coordinates","182642","2020-10-21","18:00:00",""
"7224449","18.418","0.0005","18.418","0.0005","30.698","0.002","90","","90","","90","","10413.5","0.8","295","","295","","","","","","","","","5","I 41/a c d :2","-I 4bd 2c","142","","","","- C48 H44 Cd4 N20 O8 -","- C48 H44 Cd4 N20 O8 -","- C384 H352 Cd32 N160 O64 -","8","0.25","","Nawrot, I.; Machura, B.; Kruszynski, R.","Exploration of Cd(ii)/pseudohalide/di-2-pyridyl ketone chemistry ‒ rational synthesis, structural analysis and photoluminescence","CrystEngComm","2016","18","15","2650","","10.1039/C6CE00112B","","","0.71073","MoKα","","0.0717","0.0384","","","0.0832","0.0953","","","","","","1.031","","","","has coordinates","182642","2020-10-21","18:00:00",""
"7224450","13.498","0.0005","12.6484","0.0006","15.9441","0.0006","90","","107.628","0.004","90","","2594.28","0.19","295","","295","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C46 H40 Cd4 N20 O8 -","- C46 H40 Cd4 N20 O8 -","- C92 H80 Cd8 N40 O16 -","2","0.5","","Nawrot, I.; Machura, B.; Kruszynski, R.","Exploration of Cd(ii)/pseudohalide/di-2-pyridyl ketone chemistry ‒ rational synthesis, structural analysis and photoluminescence","CrystEngComm","2016","18","15","2650","","10.1039/C6CE00112B","","","0.71073","MoKα","","0.0513","0.0303","","","0.0596","0.0649","","","","","","0.978","","","","has coordinates","182642","2020-10-21","18:00:00",""
"7224451","18.469","0.0007","18.469","0.0007","30.558","0.002","90","","90","","90","","10423.5","0.9","295","","295","","","","","","","","","5","I 41/a c d :2","-I 4bd 2c","142","","","","- C52 H44 Cd4 N12 O12 -","- C52 H44 Cd4 N12 O12 -","- C416 H352 Cd32 N96 O96 -","8","0.25","","Nawrot, I.; Machura, B.; Kruszynski, R.","Exploration of Cd(ii)/pseudohalide/di-2-pyridyl ketone chemistry ‒ rational synthesis, structural analysis and photoluminescence","CrystEngComm","2016","18","15","2650","","10.1039/C6CE00112B","","","0.71073","MoKα","","0.0838","0.0579","","","0.1339","0.15","","","","","","0.994","","","","has coordinates","182642","2020-10-21","18:00:00",""
"7224452","13.479","0.0009","12.6998","0.0006","15.9841","0.0013","90","","106.524","0.008","90","","2623.2","0.3","295","","295","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C50 H40 Cd4 N12 O12 -","- C50 H40 Cd4 N12 O12 -","- C100 H80 Cd8 N24 O24 -","2","0.5","","Nawrot, I.; Machura, B.; Kruszynski, R.","Exploration of Cd(ii)/pseudohalide/di-2-pyridyl ketone chemistry ‒ rational synthesis, structural analysis and photoluminescence","CrystEngComm","2016","18","15","2650","","10.1039/C6CE00112B","","","0.71073","MoKα","","0.0835","0.0561","","","0.1395","0.1556","","","","","","1.029","","","","has coordinates","182642","2020-10-21","18:00:00",""
"7224453","13.4664","0.0006","12.4449","0.0005","16.1614","0.0007","90","","100.398","0.005","90","","2664","0.2","295","","295","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C46 H40 Cd4 N16 O14 -","- C46 H40 Cd4 N16 O14 -","- C92 H80 Cd8 N32 O28 -","2","0.5","","Nawrot, I.; Machura, B.; Kruszynski, R.","Exploration of Cd(ii)/pseudohalide/di-2-pyridyl ketone chemistry ‒ rational synthesis, structural analysis and photoluminescence","CrystEngComm","2016","18","15","2650","","10.1039/C6CE00112B","","","0.71073","MoKα","","0.0549","0.0376","","","0.086","0.0947","","","","","","1.058","","","","has coordinates","182642","2020-10-21","18:00:00",""
"7224454","13.3914","0.0006","12.5725","0.0005","16.135","0.0009","90","","101.274","0.004","90","","2664.1","0.2","293","0.2","293","0.2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C48 H40 Cd4 N12 O16 -","- C48 H40 Cd4 N12 O16 -","- C96 H80 Cd8 N24 O32 -","2","0.5","","Nawrot, I.; Machura, B.; Kruszynski, R.","Exploration of Cd(ii)/pseudohalide/di-2-pyridyl ketone chemistry ‒ rational synthesis, structural analysis and photoluminescence","CrystEngComm","2016","18","15","2650","","10.1039/C6CE00112B","","","0.71073","MoKα","","0.0773","0.0592","","","0.1523","0.1677","","","","","","1.046","","","","has coordinates","182642","2020-10-21","18:00:00",""
"7224455","12.5084","0.0005","19.1468","0.0009","22.4328","0.0009","90","","90","","90","","5372.6","0.4","295","","295","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C48 H40 Cd4 N12 O16 -","- C48 H40 Cd4 N12 O16 -","- C192 H160 Cd16 N48 O64 -","4","0.5","","Nawrot, I.; Machura, B.; Kruszynski, R.","Exploration of Cd(ii)/pseudohalide/di-2-pyridyl ketone chemistry ‒ rational synthesis, structural analysis and photoluminescence","CrystEngComm","2016","18","15","2650","","10.1039/C6CE00112B","","","0.71073","MoKα","","0.1019","0.0571","","","0.0979","0.1092","","","","","","1.09","","","","has coordinates","182642","2020-10-21","18:00:00",""
"7224456","39.7415","0.0016","14.3866","0.0006","15.6815","0.0006","90","","103.11","0.0016","90","","8732.1","0.6","180","","180","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C40 H46 I2 O4 -","- C40 H46 I2 O4 -","- C320 H368 I16 O32 -","8","1","","Slavík, Petr; Eigner, Václav; Lhoták, Pavel","Shaping of calix[4]arenes via double bridging of the upper rim","CrystEngComm","2016","18","26","4964","","10.1039/C6CE00314A","","","1.5418","CuKα","","0.0918","0.0809","","0.23","0.2139","0.23","","","","","","0.9725","","","","has coordinates,has disorder","185198","2020-10-21","18:00:00",""
"7224457","29.0803","0.001","9.4848","0.0003","15.2528","0.0005","90","","90","","90","","4207","0.2","180","","180","","","","101","","","","","3","P c a 21","P 2c -2ac","29","","","","- C44.82 H53.64 O9.41 -","- C44.82 H53.64 O9.414 -","- C179.28 H214.56 O37.656 -","4","1","","Slavík, Petr; Eigner, Václav; Lhoták, Pavel","Shaping of calix[4]arenes via double bridging of the upper rim","CrystEngComm","2016","18","26","4964","","10.1039/C6CE00314A","","","1.54178","CuKα","","0.0522","0.0516","","0.1246","0.1244","0.1246","","","","","","1.0377","","","","has coordinates,has disorder","185198","2020-10-21","18:00:00",""
"7224458","13.8543","0.001","13.8543","0.001","9.9079","0.001","90","","90","","90","","1901.7","0.3","180","","180","","","","101","","","","","4","P -4 21 m","P -4 2ab","113","","","","- C42.54 H45.07 Cl1.07 O6 -","- C42.536 H45.072 Cl1.072 O6 -","- C85.072 H90.144 Cl2.144 O12 -","2","0.25","","Slavík, Petr; Eigner, Václav; Lhoták, Pavel","Shaping of calix[4]arenes via double bridging of the upper rim","CrystEngComm","2016","18","26","4964","","10.1039/C6CE00314A","","","1.54184","CuKα","","0.0622","0.0584","","0.1459","0.1417","0.1459","","","","","","0.9885","","","","has coordinates,has disorder","185198","2020-10-21","18:00:00",""
"7224459","13.23816","0.00015","35.6977","0.0007","30.7491","0.0004","90","","91.61","0.0012","90","","14525.4","0.4","120","","120","","","","101","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C169 H198 Cl2 O26 -","- C169 H198 Cl2 O26 -","- C676 H792 Cl8 O104 -","4","1","","Slavík, Petr; Eigner, Václav; Lhoták, Pavel","Shaping of calix[4]arenes via double bridging of the upper rim","CrystEngComm","2016","18","26","4964","","10.1039/C6CE00314A","","","1.5418","CuKα","","0.1144","0.0919","","0.1617","0.1535","0.1616","","","","","","0.9319","","","","has coordinates,has disorder","185198","2020-10-21","18:00:00",""
"7224460","20.1608","0.0008","22.3481","0.0008","25.738","0.001","71.678","0.003","67.478","0.003","86.691","0.003","10142.9","0.7","123","2","123","2","","","","","","","","7","P -1","-P 1","2","","AM30","","- C107.5 H109 Cu F12 N8 O10.5 P2 -","- C107.5 H109 Cu F12 N8 O10.5 P2 -","- C430 H436 Cu4 F48 N32 O42 P8 -","4","2","","Meyer, Andreas; Abdullin, Dinar; Schnakenburg, Gregor; Schiemann, Olav","Single and double nitroxide labeled bis(terpyridine)-copper(ii): influence of orientation selectivity and multispin effects on PELDOR and RIDME.","Physical chemistry chemical physics : PCCP","2016","18","13","9262","9271","10.1039/c5cp07621h","","","0.71073","MoKα","","0.1895","0.0614","","","0.1036","0.1242","","","","","","0.717","","","","has coordinates","192220","2020-10-21","18:00:00",""
"7224461","9.6276","0.0013","9.6187","0.0013","14.414","0.002","90","","98.581","0.002","90","","1319.9","0.3","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C16 H14 O3 -","- C16 H14 O3 -","- C64 H56 O12 -","4","1","","Jia, Weiguo; Zhang, Hui; Li, Dan-Dan; Yan, Li-Qin","One-Pot Synthesis of Acyloxycarbonyl compounds from ketones using Pybox-Copper(II) catalysts","RSC Adv.","2016","","","","","10.1039/C6RA02186G","","","0.71073","MoKα","","0.0819","0.0449","","","0.1046","0.1221","","","","","","1.026","","","","has coordinates","177124","2020-10-21","18:00:00",""
"7224462","30.178","0.007","5.9458","0.0013","20.531","0.004","90","","122.902","0.002","90","","3093","1.2","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C17 H15 Cl O3 -","- C17 H15 Cl O3 -","- C136 H120 Cl8 O24 -","8","1","","Jia, Weiguo; Zhang, Hui; Li, Dan-Dan; Yan, Li-Qin","One-Pot Synthesis of Acyloxycarbonyl compounds from ketones using Pybox-Copper(II) catalysts","RSC Adv.","2016","","","","","10.1039/C6RA02186G","","","0.71073","MoKα","","0.092","0.0478","","","0.1157","0.1352","","","","","","1.042","","","","has coordinates","177124","2020-10-21","18:00:00",""
"7224463","15.462","0.003","9.289","0.0019","13.431","0.003","90","","108.57","0.03","90","","1828.6","0.7","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H17 N3 O2 -","- C24 H17 N3 O2 -","- C96 H68 N12 O8 -","4","1","","Chen, Qing-Qing; Li, Kaixun; Lu, Tao; Zhou, Qing-Fa","Phosphine-Catalyzed Domino Reactions of Alkynyl Ketones with Sulfonylhydrazones: Construction of Diverse Pyrazoloquinazoline Derivatives","RSC Adv.","2016","","","","","10.1039/C6RA00580B","","","0.71073","MoKα","","0.1113","0.0595","","","0.1291","0.1497","","","","","","1.002","","","","has coordinates","177125","2020-10-21","18:00:00",""
"7224464","10.0734","0.00018","9.87893","0.00013","11.00555","0.00018","90","","107.657","0.0019","90","","1043.61","0.03","173","0.2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","","3-oxo-7R-coronaridine hydroxyindolenine","","- C23 H27 N3 O4 -","- C23 H27 N3 O4 -","- C46 H54 N6 O8 -","2","1","","Liu, Zhi-Wen; Huang, Xiao-Jun; Xiao, Han-Lin; Liu, Guo; Zhang, Jian; Shi, Lei; Jiang, Renwang; Zhang, Xiao-Qi; Ye, Wen-Cai","New Iboga-Type Alkaloids from Ervatamia hainanensis","RSC Adv.","2016","","","","","10.1039/C6RA00185H","","","1.54184","CuKα","","0.0244","0.0243","","","0.0634","0.0635","","","","","","1.048","","","","has coordinates","177126","2020-10-21","18:00:00",""
"7224465","9.7015","0.0008","10.7426","0.0008","10.0282","0.001","90","","107.663","0.01","90","","995.86","0.16","173","0.3","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","","3S-(24S-hydroxyethyl)-coronaridine","","- C23 H30 N2 O3 -","- C23 H30 N2 O3 -","- C46 H60 N4 O6 -","2","1","","Liu, Zhi-Wen; Huang, Xiao-Jun; Xiao, Han-Lin; Liu, Guo; Zhang, Jian; Shi, Lei; Jiang, Renwang; Zhang, Xiao-Qi; Ye, Wen-Cai","New Iboga-Type Alkaloids from Ervatamia hainanensis","RSC Adv.","2016","","","","","10.1039/C6RA00185H","","","1.54184","CuKα","","0.0536","0.0468","","","0.1104","0.1185","","","","","","1.071","","","","has coordinates","177126","2020-10-21","18:00:00",""
"7224466","7.44984","0.00014","11.4893","0.0002","21.3736","0.0004","90","","90","","90","","1829.44","0.06","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","5-oxo-6S-hydroxycoronaridine","","- C21 H24 N2 O4 -","- C21 H24 N2 O4 -","- C84 H96 N8 O16 -","4","1","","Liu, Zhi-Wen; Huang, Xiao-Jun; Xiao, Han-Lin; Liu, Guo; Zhang, Jian; Shi, Lei; Jiang, Renwang; Zhang, Xiao-Qi; Ye, Wen-Cai","New Iboga-Type Alkaloids from Ervatamia hainanensis","RSC Adv.","2016","","","","","10.1039/C6RA00185H","","","1.54184","CuKα","","0.0264","0.0262","","","0.0676","0.0678","","","","","","1.084","","","","has coordinates","177126","2020-10-21","18:00:00",""
"7224467","8.78022","0.00019","13.8217","0.0004","15.0748","0.0004","90","","90","","90","","1829.44","0.08","173","0.1","173","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","3-oxo-7S-coronaridine hydroxyindolenine","","- C21 H24 N2 O4 -","- C21 H24 N2 O4 -","- C84 H96 N8 O16 -","4","1","","Liu, Zhi-Wen; Huang, Xiao-Jun; Xiao, Han-Lin; Liu, Guo; Zhang, Jian; Shi, Lei; Jiang, Renwang; Zhang, Xiao-Qi; Ye, Wen-Cai","New Iboga-Type Alkaloids from Ervatamia hainanensis","RSC Adv.","2016","","","","","10.1039/C6RA00185H","","","1.54184","CuKα","","0.0305","0.0289","","","0.0703","0.0717","","","","","","1.066","","","","has coordinates","177126","2020-10-21","18:00:00",""
"7224468","22.595","0.0003","25.026","0.0003","25.1004","0.0003","90","","109.726","0.001","90","","13360.4","0.3","100","2","100","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C209 H309 Cl2 N11 Nd10 O86 P4 S16 -","- C190 H220 Cl2 N8 Nd10 O76 P4 S16 -","- C380 H440 Cl4 N16 Nd20 O152 P8 S32 -","2","0.5","","Su, Kongzhao; Jiang, Feilong; Wu, Mingyan; Qian, Jinjie; Pang, Jiandong; Yuan, Daqiang; Hong, Maochun","Syntheses, structures, luminescence and magnetic properties of three high-nuclearity neodymium compounds based on mixed sulfonylcalix[4]arene-phosphonate ligands","CrystEngComm","2016","18","26","4921","","10.1039/C6CE00092D","","","1.54184","CuKα","","0.0455","0.0371","","","0.0965","0.102","","","","","","1.018","","","","has coordinates","185194","2020-10-21","18:00:00",""
"7224469","22.16","0.0002","39.5294","0.0004","32.4297","0.0003","90","","105.798","0.001","90","","27334.5","0.5","100","2","100","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C215 H309 Cl3 N19 Nd11 O81 P6 S12 -","- C204 H272 Cl3 N16 Nd11 O76 P6 S12 -","- C816 H1088 Cl12 N64 Nd44 O304 P24 S48 -","4","1","","Su, Kongzhao; Jiang, Feilong; Wu, Mingyan; Qian, Jinjie; Pang, Jiandong; Yuan, Daqiang; Hong, Maochun","Syntheses, structures, luminescence and magnetic properties of three high-nuclearity neodymium compounds based on mixed sulfonylcalix[4]arene-phosphonate ligands","CrystEngComm","2016","18","26","4921","","10.1039/C6CE00092D","","","1.54184","CuKα","","0.0906","0.0663","","","0.1667","0.179","","","","","","1.055","","","","has coordinates","185194","2020-10-21","18:00:00",""
"7224470","23.9081","0.0004","26.1353","0.0005","43.1391","0.0005","72.952","0.001","75.918","0.001","63.911","0.002","22938.8","0.7","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C326 H491 N23 Nd19 O159 P5 S20 -","- C279 H234 N12 Nd19 O134 P5 S20 -","- C558 H468 N24 Nd38 O268 P10 S40 -","2","1","","Su, Kongzhao; Jiang, Feilong; Wu, Mingyan; Qian, Jinjie; Pang, Jiandong; Yuan, Daqiang; Hong, Maochun","Syntheses, structures, luminescence and magnetic properties of three high-nuclearity neodymium compounds based on mixed sulfonylcalix[4]arene-phosphonate ligands","CrystEngComm","2016","18","26","4921","","10.1039/C6CE00092D","","","1.54184","CuKα","","0.1097","0.0662","","","0.181","0.1996","","","","","","1.074","","","","has coordinates","185194","2020-10-21","18:00:00",""
"7224471","5.764","0.003","13.551","0.007","15.03","0.007","90","","90","","90","","1174","1","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C15 H12 N O -","- C15 H13 N O -","- C60 H52 N4 O4 -","4","1","","Pan, Gao-Fei; Su, Li; Zhang, Yan-Lei; Guo, Shi-Huan; Wang, Yong-Qiang","Organocatalytic One-pot Asymmetric Synthesis of 2-Aryl-2,3-dihydro-4-quinolones","RSC Adv.","2016","","","","","10.1039/C6RA01247G","","","0.71073","MoKα","","0.1279","0.0699","","","0.1557","0.1822","","","","","","1.103","","","","has coordinates","177173","2020-10-21","18:00:00",""
"7224472","6.816","0.002","8.648","0.003","10.567","0.003","91.038","0.005","97.022","0.005","96.93","0.005","613.3","0.3","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C15 H11 F2 N O -","- C15 H11 F2 N O -","- C30 H22 F4 N2 O2 -","2","1","","Pan, Gao-Fei; Su, Li; Zhang, Yan-Lei; Guo, Shi-Huan; Wang, Yong-Qiang","Organocatalytic One-pot Asymmetric Synthesis of 2-Aryl-2,3-dihydro-4-quinolones","RSC Adv.","2016","","","","","10.1039/C6RA01247G","","","0.71073","MoKα","","0.0927","0.0626","","","0.1949","0.22","","","","","","1.028","","","","has coordinates","177173","2020-10-21","18:00:00",""
"7224473","8.048","0.004","7.321","0.004","18.167","0.009","90","","92.64","0.01","90","","1069.3","1","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C8 H8 Br2 O2 S -","- C8 H8 Br2 O2 S -","- C32 H32 Br8 O8 S4 -","4","1","","shi, jie; Tang, Xiao-Dong; Wu, Yan-Cheng; Fang, Jiefang; cao, liang; Chen, Xiao-Yun; wang, zhaoyang","A Radical Coupling Reaction of DMSO with Sodium Arylsulfinates in Air: Mild Utilization of DMSO as C1 Resource for the synthesis of arylsulfonyl dibromomethane","RSC Adv.","2016","","","","","10.1039/C6RA01393G","","","0.71073","MoKα","","0.1499","0.0669","","","0.1602","0.2148","","","","","","0.884","","","","has coordinates","177174","2020-10-21","18:00:00",""
"7224474","7.395","0.0005","5.8775","0.0004","80.76","0.006","90","","90","","90","","3510.2","0.4","296","","296","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C46 H54 O2 -","- C46 H54 O2 -","- C184 H216 O8 -","4","0.5","","Mitsui, Chikahiko; Tanaka, Yuji; Tanaka, Shota; Yamagishi, Masakazu; Nakahara, Katsumasa; Yano, Masafumi; Sato, Hiroyasu; Yamano, Akihito; Matsui, Hiroyuki; Takeya, Jun; Okamoto, Toshihiro","High Performance Oxygen-bridged N-shaped Semiconductors with Stabilized Crystal Phase and Blue Luminescence","RSC Adv.","2016","","","","","10.1039/C6RA00922K","","","1.54187","CuKα","","","0.1178","","","","0.3051","","","","","","1.06","","","","has coordinates","177175","2020-10-21","18:00:00",""
"7224475","5.946","0.003","7.516","0.004","18.704","0.01","96.63","0.02","91.21","0.02","90.083","0.018","830.1","0.8","296","","296","","","","","","","","","3","P -1","-P 1","2","","","","- C26 H22 O2 -","- C26 H14 O2 -","- C52 H28 O4 -","2","1","","Mitsui, Chikahiko; Tanaka, Yuji; Tanaka, Shota; Yamagishi, Masakazu; Nakahara, Katsumasa; Yano, Masafumi; Sato, Hiroyasu; Yamano, Akihito; Matsui, Hiroyuki; Takeya, Jun; Okamoto, Toshihiro","High Performance Oxygen-bridged N-shaped Semiconductors with Stabilized Crystal Phase and Blue Luminescence","RSC Adv.","2016","","","","","10.1039/C6RA00922K","","","1.54187","CuKα","","","0.2121","","","","0.5037","","","","","","1.473","","","","has coordinates","177175","2020-10-21","18:00:00",""
"7224476","41.774","0.01","7.4659","0.0017","5.9023","0.0013","90","","93.859","0.007","90","","1836.6","0.7","296","","296","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C46 H54 O2 -","- C46 H54 O2 -","- C92 H108 O4 -","2","0.5","","Mitsui, Chikahiko; Tanaka, Yuji; Tanaka, Shota; Yamagishi, Masakazu; Nakahara, Katsumasa; Yano, Masafumi; Sato, Hiroyasu; Yamano, Akihito; Matsui, Hiroyuki; Takeya, Jun; Okamoto, Toshihiro","High Performance Oxygen-bridged N-shaped Semiconductors with Stabilized Crystal Phase and Blue Luminescence","RSC Adv.","2016","","","","","10.1039/C6RA00922K","","","1.54187","CuKα","","","0.154","","","","0.4401","","","","","","1.412","","","","has coordinates","177175","2020-10-21","18:00:00",""
"7224477","10.454","0.005","21.985","0.009","8.731","0.004","90","","102.524","0.011","90","","1958.9","1.5","113","2","113","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H24 N4 O5 -","- C18 H24 N4 O5 -","- C72 H96 N16 O20 -","4","1","","Zhao, Hongwu; Pang, Hai-Liang; Li, Bo; Tian, Ting; Chen, Xiao-Qin; song, xiuqing; Meng, Wei; Yang, Zhao; Liu, Yue-Yang; Zhao, Yu-Di","Direct Access to Non-Aromatic 1,2,3,6-Tetrahydro -1,2,3,4-Tetrazines via [4+2] Cycloaddition of α-Halogeno Hydrazones with Azodicarboxylic Acid Derivatives","RSC Adv.","2016","","","","","10.1039/C6RA01359G","","","0.71073","MoKα","","0.0744","0.0624","","","0.1493","0.1558","","","","","","1","","","","has coordinates","177176","2020-10-21","18:00:00",""
"7224478","11.9536","0.0005","13.6314","0.0006","13.8816","0.0006","84.881","0.003","77.283","0.003","88.864","0.003","2197.64","0.17","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","(3R*,4R*,5R*)-5-phenyl-3-(triisopropylsilyloxy)-4-vinyldihydrofuran-2(3H)-one","","- C41.5 H61.5 O6 Si2 -","- C41.471 H61.413 O6 Si2 -","- C82.942 H122.826 O12 Si4 -","2","1","","Klimczak, Urszula Katarzyna; Staszewska-Krajewska, Olga; Zambroń, Bartosz Krzysztof","Reverse regioselectivity in Pd(0)/InI-mediated allylation of aldehydes with ε-amido-allylindiums generated from β-lactams. A new entry to non-racemic highly substituted γ-butyrolactones.","RSC Adv.","2016","","","","","10.1039/C6RA00517A","","","1.54178","CuKα","","0.096","0.066","","","0.2084","0.2315","","","","","","1.109","","","","has coordinates,has disorder","177177","2020-10-21","18:00:00",""
"7224479","27.509","0.003","7.6304","0.0008","16.2294","0.0017","90","","119.061","0.005","90","","2977.7","0.6","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C14 H10 N3 O4 Zn -","- C14 H10 N3 O4 Zn -","- C112 H80 N24 O32 Zn8 -","8","1","","Park, Min Kyung; Lim, Kwang Soo; Park, Ji Hey; Song, Jeong Hwa; Kang, Dong Won; Lee, Woo Ram; Hong, Chang Seop","Two- and three-dimensional Zn(ii) coordination polymers constructed from mixed ligand systems: interpenetration, structural transformation and sensing behavior","CrystEngComm","2016","18","23","4349","","10.1039/C6CE00155F","","","0.71073","MoKα","","0.0416","0.0342","","","0.092","0.0948","","","","","","1.057","","","","has coordinates","185286","2020-10-21","18:00:00",""
"7224480","10.2372","0.0003","27.0204","0.0007","8.738","0.0002","90","","95.568","0.001","90","","2405.64","0.11","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C25 H23 N5 O7 Zn -","- C25 H23 N5 O7 Zn -","- C100 H92 N20 O28 Zn4 -","4","1","","Park, Min Kyung; Lim, Kwang Soo; Park, Ji Hey; Song, Jeong Hwa; Kang, Dong Won; Lee, Woo Ram; Hong, Chang Seop","Two- and three-dimensional Zn(ii) coordination polymers constructed from mixed ligand systems: interpenetration, structural transformation and sensing behavior","CrystEngComm","2016","18","23","4349","","10.1039/C6CE00155F","","","0.71073","MoKα","","0.069","0.0567","","","0.1376","0.1523","","","","","","1.15","","","","has coordinates","185286","2020-10-21","18:00:00",""
"7224481","11.3869","0.0005","8.3323","0.0004","13.9637","0.0006","90","","96.31","0.003","90","","1316.84","0.1","296","2","296","2","","","","","","","","5","P 1 2/n 1","-P 2yac","13","","","","- C20 H14 N4 O6 Zn -","- C20 H14 N4 O6 Zn -","- C40 H28 N8 O12 Zn2 -","2","0.5","","Park, Min Kyung; Lim, Kwang Soo; Park, Ji Hey; Song, Jeong Hwa; Kang, Dong Won; Lee, Woo Ram; Hong, Chang Seop","Two- and three-dimensional Zn(ii) coordination polymers constructed from mixed ligand systems: interpenetration, structural transformation and sensing behavior","CrystEngComm","2016","18","23","4349","","10.1039/C6CE00155F","","","0.71073","MoKα","","0.0519","0.0415","","","0.1078","0.1115","","","","","","1.084","","","","has coordinates","185286","2020-10-21","18:00:00",""
"7224482","12.8815","0.0009","15.2513","0.0011","14.1699","0.001","90","","92.331","0.004","90","","2781.5","0.3","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C26 H18 N4 O6 Zn -","- C26 H18 N4 O6 Zn -","- C104 H72 N16 O24 Zn4 -","4","1","","Park, Min Kyung; Lim, Kwang Soo; Park, Ji Hey; Song, Jeong Hwa; Kang, Dong Won; Lee, Woo Ram; Hong, Chang Seop","Two- and three-dimensional Zn(ii) coordination polymers constructed from mixed ligand systems: interpenetration, structural transformation and sensing behavior","CrystEngComm","2016","18","23","4349","","10.1039/C6CE00155F","","","0.71073","MoKα","","0.0847","0.0469","","","0.1077","0.1175","","","","","","0.966","","","","has coordinates","185286","2020-10-21","18:00:00",""
"7224483","12.486","0.001","14.7786","0.001","13.7673","0.001","90","","104.077","0.003","90","","2464.1","0.3","170","2","170","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C52 H50 Br N4 O18 S2 -","- C52 H50 Br N4 O18 S2 -","- C104 H100 Br2 N8 O36 S4 -","2","0.5","","Aulakh, Darpandeep; Nicoletta, Anthony P.; Varghese, Juby R.; Wriedt, Mario","The structural diversity and properties of nine new viologen based zwitterionic metal‒organic frameworks","CrystEngComm","2016","18","12","2189","","10.1039/C6CE00284F","","","0.71073","MoKα","","0.0672","0.0386","","","0.0888","0.1009","","","","","","1.013","","","","has coordinates","181602","2020-10-21","18:00:00",""
"7224484","13.257","0.0005","13.257","0.0005","31.1199","0.0014","90","","90","","90","","5469.3","0.4","170","2","170","2","","","","","","","","6","I -4 2 d","I -4 2bw","122","","","","- C26 H20 Br Cu N2 O4 -","- C26 H20 Br Cu N2 O4 -","- C208 H160 Br8 Cu8 N16 O32 -","8","0.5","","Aulakh, Darpandeep; Nicoletta, Anthony P.; Varghese, Juby R.; Wriedt, Mario","The structural diversity and properties of nine new viologen based zwitterionic metal‒organic frameworks","CrystEngComm","2016","18","12","2189","","10.1039/C6CE00284F","","","0.71073","MoKα","","0.0969","0.0652","","","0.192","0.2188","","","","","","1.038","","","","has coordinates","181602","2020-10-21","18:00:00",""
"7224485","34.9259","0.0006","34.9259","0.0006","27.7797","0.0006","90","","90","","120","","29346.3","1","170","2","170","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C180 H198 Br2 Mn4 N12 O81 -","- C180 H198 Br2.0001 Mn4 N12 O81 -","- C1080 H1188 Br12.0006 Mn24 N72 O486 -","6","0.333333","","Aulakh, Darpandeep; Nicoletta, Anthony P.; Varghese, Juby R.; Wriedt, Mario","The structural diversity and properties of nine new viologen based zwitterionic metal‒organic frameworks","CrystEngComm","2016","18","12","2189","","10.1039/C6CE00284F","","","0.71073","MoKα","","0.1088","0.0615","","","0.1627","0.189","","","","","","1.029","","","","has coordinates,has disorder","181602","2020-10-21","18:00:00",""
"7224486","35.0155","0.0008","35.0155","0.0008","27.5842","0.0007","90","","90","","120","","29289.5","1.2","170","2","170","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C180 H204 Br2 Co4 N12 O81 -","- C180 H204 Br2.0001 Co4 N12 O81 -","- C1080 H1224 Br12.0006 Co24 N72 O486 -","6","0.333333","","Aulakh, Darpandeep; Nicoletta, Anthony P.; Varghese, Juby R.; Wriedt, Mario","The structural diversity and properties of nine new viologen based zwitterionic metal‒organic frameworks","CrystEngComm","2016","18","12","2189","","10.1039/C6CE00284F","","","0.71073","MoKα","","0.0785","0.0492","","","0.1281","0.1436","","","","","","1.02","","","","has coordinates,has disorder","181602","2020-10-21","18:00:00",""
"7224487","35.0383","0.0017","35.0383","0.0017","27.5617","0.0012","90","","90","","120","","29304","2","170","2","170","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C180 H204 Br2 N12 Ni4 O81 -","- C180 H204 Br2.0001 N12 Ni4 O81 -","- C1080 H1224 Br12.0006 N72 Ni24 O486 -","6","0.333333","","Aulakh, Darpandeep; Nicoletta, Anthony P.; Varghese, Juby R.; Wriedt, Mario","The structural diversity and properties of nine new viologen based zwitterionic metal‒organic frameworks","CrystEngComm","2016","18","12","2189","","10.1039/C6CE00284F","","","0.71073","MoKα","","0.1001","0.0645","","","0.1729","0.1942","","","","","","1.033","","","","has coordinates,has disorder","181602","2020-10-21","18:00:00",""
"7224488","12.1281","0.0002","16.5109","0.0003","23.7085","0.0005","90","","93.5049","0.001","90","","4738.65","0.15","170","2","170","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C47 H52 Cd N3 O19 -","- C47 H52 Cd N3 O19 -","- C188 H208 Cd4 N12 O76 -","4","1","","Aulakh, Darpandeep; Nicoletta, Anthony P.; Varghese, Juby R.; Wriedt, Mario","The structural diversity and properties of nine new viologen based zwitterionic metal‒organic frameworks","CrystEngComm","2016","18","12","2189","","10.1039/C6CE00284F","","","0.71073","MoKα","","0.0825","0.0439","","","0.0946","0.1123","","","","","","1","","","","has coordinates","181602","2020-10-21","18:00:00",""
"7224489","12.487","0.0006","16.035","0.0008","23.5332","0.0012","90","","94.808","0.0017","90","","4695.4","0.4","170","2","170","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C47 H52 N3 O19 Zn -","- C47 H52 N3 O19 Zn -","- C188 H208 N12 O76 Zn4 -","4","1","","Aulakh, Darpandeep; Nicoletta, Anthony P.; Varghese, Juby R.; Wriedt, Mario","The structural diversity and properties of nine new viologen based zwitterionic metal‒organic frameworks","CrystEngComm","2016","18","12","2189","","10.1039/C6CE00284F","","","0.71073","MoKα","","0.1814","0.0677","","","0.1422","0.1848","","","","","","0.985","","","","has coordinates","181602","2020-10-21","18:00:00",""
"7224490","11.9508","0.0016","17.898","0.002","16.975","0.002","90","","93.774","0.005","90","","3623","0.8","170","2","170","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C34 H36 Cu2 N6 O15 -","- C34 H36 Cu2 N6 O15 -","- C136 H144 Cu8 N24 O60 -","4","1","","Aulakh, Darpandeep; Nicoletta, Anthony P.; Varghese, Juby R.; Wriedt, Mario","The structural diversity and properties of nine new viologen based zwitterionic metal‒organic frameworks","CrystEngComm","2016","18","12","2189","","10.1039/C6CE00284F","","","0.71073","MoKα","","0.1744","0.09","","","0.1969","0.232","","","","","","1.029","","","","has coordinates,has disorder","181602","2020-10-21","18:00:00",""
"7224491","12.7183","0.0004","14.0183","0.0005","16.7134","0.0006","90","","110.776","0.0018","90","","2786.06","0.17","170","2","170","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C13 H10 Cl2 N O2.17 Zn -","- C13 H10 Cl2 N O2.16665 Zn -","- C104 H80 Cl16 N8 O17.3332 Zn8 -","8","1","","Aulakh, Darpandeep; Nicoletta, Anthony P.; Varghese, Juby R.; Wriedt, Mario","The structural diversity and properties of nine new viologen based zwitterionic metal‒organic frameworks","CrystEngComm","2016","18","12","2189","","10.1039/C6CE00284F","","","0.71073","MoKα","","0.0703","0.0507","","","0.1601","0.1778","","","","","","1.062","","","","has coordinates","181602","2020-10-21","18:00:00",""
"7224492","8.1476","0.0017","8.2521","0.0018","12.398","0.003","80.843","0.008","72.38","0.007","67.642","0.007","733.8","0.3","170","2","170","2","","","","","","","","6","P -1","-P 1","2","","","","- C26 H26 Br2 N4 O10 Pd -","- C26 H26 Br2 N4 O10 Pd -","- C26 H26 Br2 N4 O10 Pd -","1","0.5","","Aulakh, Darpandeep; Nicoletta, Anthony P.; Varghese, Juby R.; Wriedt, Mario","The structural diversity and properties of nine new viologen based zwitterionic metal‒organic frameworks","CrystEngComm","2016","18","12","2189","","10.1039/C6CE00284F","","","0.71073","MoKα","","0.0966","0.0484","","","0.0942","0.1058","","","","","","0.989","","","","has coordinates","181602","2020-10-21","18:00:00",""
"7224493","12.247","0.009","13.34","0.02","8.315","0.008","90","","77.29","0.05","90","","1325","3","","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1-pyrenyl thiourea","","- C17 H12 N2 S -","- C17 H12 N2 S -","- C68 H48 N8 S4 -","4","1","","Đud, Mateja; Magdysyuk, Oxana V.; Margetić, Davor; Štrukil, Vjekoslav","Synthesis of monosubstituted thioureas by vapour digestion and mechanochemical amination of thiocarbamoyl benzotriazoles","Green Chem.","2016","18","9","2666","","10.1039/C6GC00089D","","","0.23307","","","","","","","","","","","","","","","","","","has coordinates","182765","2020-10-21","18:00:00",""
"7224494","5.873","0.004","9.367","0.004","22.93","0.009","91.31","0.03","90","","90","","1261.1","1.1","25","2","","","","","","","","","","4","P 21/c 1 1","-P 2xac","14","","1-anthracenyl thiourea","","- C15 H12 N2 S -","- C15 H12 N2 S -","- C60 H48 N8 S4 -","4","1","","Đud, Mateja; Magdysyuk, Oxana V.; Margetić, Davor; Štrukil, Vjekoslav","Synthesis of monosubstituted thioureas by vapour digestion and mechanochemical amination of thiocarbamoyl benzotriazoles","Green Chem.","2016","18","9","2666","","10.1039/C6GC00089D","","","0.23307","","","","","","","","","","","","","","","","","","has coordinates","182765","2020-10-21","18:00:00",""
"7224495","15.909","0.003","14.083","0.002","17.085","0.003","90","","92.674","0.003","90","","3823.7","1.1","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C35 H52 Cl2 N4 O3 Pd -","- C35 H52 Cl2 N4 O3 Pd -","- C140 H208 Cl8 N16 O12 Pd4 -","4","1","","Zhao, Xiao-Yun; Zhou, Quan; Lu, Jian-Mei","Synthesis and characterization of N-heterocyclic carbene-palladium(ii) chlorides-1-methylindazole and -1-methylpyrazole complexes and their catalytic activity toward C‒N coupling of aryl chlorides","RSC Adv.","2016","6","29","24484","","10.1039/C6RA02556K","","","0.71073","MoKα","","0.0505","0.0418","","","0.1325","0.1428","","","","","","1.107","","","","has coordinates","177282","2020-10-21","18:00:00",""
"7224496","16.484","0.004","16.074","0.004","21.788","0.006","90","","109.467","0.004","90","","5443","2","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C25 H30 Cl2 N4 Pd -","- C25 H30 Cl2 N4 Pd -","- C200 H240 Cl16 N32 Pd8 -","8","2","","Zhao, Xiao-Yun; Zhou, Quan; Lu, Jian-Mei","Synthesis and characterization of N-heterocyclic carbene-palladium(ii) chlorides-1-methylindazole and -1-methylpyrazole complexes and their catalytic activity toward C‒N coupling of aryl chlorides","RSC Adv.","2016","6","29","24484","","10.1039/C6RA02556K","","","0.71073","MoKα","","0.0712","0.0464","","","0.1399","0.1626","","","","","","1.086","","","","has coordinates","177282","2020-10-21","18:00:00",""
"7224497","9.1155","0.0018","13.036","0.003","20.075","0.004","87.103","0.004","89.823","0.004","89.63","0.004","2382.4","0.9","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C23 H26 Cl2 N4 Pd -","- C23 H26 Cl2 N4 Pd -","- C92 H104 Cl8 N16 Pd4 -","4","2","","Zhao, Xiao-Yun; Zhou, Quan; Lu, Jian-Mei","Synthesis and characterization of N-heterocyclic carbene-palladium(ii) chlorides-1-methylindazole and -1-methylpyrazole complexes and their catalytic activity toward C‒N coupling of aryl chlorides","RSC Adv.","2016","6","29","24484","","10.1039/C6RA02556K","","","0.71073","MoKα","","0.0456","0.0321","","","0.089","0.1006","","","","","","1.047","","","","has coordinates","177282","2020-10-21","18:00:00",""
"7224498","10.5287","0.0011","12.2427","0.0012","26.839","0.003","90","","94.179","0.002","90","","3450.3","0.6","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C35 H44 Cl2 N4 Pd -","- C35 H44 Cl2 N4 Pd -","- C140 H176 Cl8 N16 Pd4 -","4","1","","Zhao, Xiao-Yun; Zhou, Quan; Lu, Jian-Mei","Synthesis and characterization of N-heterocyclic carbene-palladium(ii) chlorides-1-methylindazole and -1-methylpyrazole complexes and their catalytic activity toward C‒N coupling of aryl chlorides","RSC Adv.","2016","6","29","24484","","10.1039/C6RA02556K","","","0.71073","MoKα","","0.025","0.0228","","","0.0737","0.0824","","","","","","1.008","","","","has coordinates","177282","2020-10-21","18:00:00",""
"7224499","36.657","0.003","36.657","0.003","10.461","0.0012","90","","90","","120","","12174","2","123","2","123","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C62 H50 N4 O2 Sn -","- C62 H50 N4 O2 Sn -","- C558 H450 N36 O18 Sn9 -","9","0.5","","Wang, S.; Knowles, G. P.; Chaffee, A. L.; Langford, S. J.","Selective CO2uptake and vapor adsorption study within Sn(iv) porphyrin crystals","CrystEngComm","2016","18","9","1515","","10.1039/C5CE02170G","","","0.71073","MoKα","","0.0969","0.0691","","","0.1869","0.2084","","","","","","1.147","","","","has coordinates","177566","2020-10-21","18:00:00",""
"7224500","7.372","0.004","21.35","0.011","9.953","0.006","90","","105.79","0.009","90","","1507.4","1.4","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","[ZnCl(N3)(tzmb)]n","","","- C12 H10 Cl N9 Zn -","- C12 H10 Cl N9 Zn -","- C48 H40 Cl4 N36 Zn4 -","4","1","","Xiao, Yu; Wang, Shuai-Hua; Zhao, Ya-Ping; Zheng, Fa-Kun; Guo, Guo-Cong","Fluorescence and photochromic properties of a series of new Zn(ii)/Cd(ii) coordination compounds with a flexible semi-rigid tetrazole‒viologen derivative","CrystEngComm","2016","18","14","2524","","10.1039/C6CE00317F","","","0.71073","MoKα","","0.0405","0.0376","","","0.1","0.1021","","","","","","1.043","","","","has coordinates","181615","2020-10-21","18:00:00",""
"7224501","8.026","0.002","16.449","0.004","12.895","0.003","90","","102.776","0.008","90","","1660.2","0.7","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","[Zn2Cl3(OH)(tzmb)]n","","","- C12 H11 Cl3 N6 O Zn2 -","- C12 H11 Cl3 N6 O Zn2 -","- C48 H44 Cl12 N24 O4 Zn8 -","4","1","","Xiao, Yu; Wang, Shuai-Hua; Zhao, Ya-Ping; Zheng, Fa-Kun; Guo, Guo-Cong","Fluorescence and photochromic properties of a series of new Zn(ii)/Cd(ii) coordination compounds with a flexible semi-rigid tetrazole‒viologen derivative","CrystEngComm","2016","18","14","2524","","10.1039/C6CE00317F","","","0.71073","MoKα","","0.0627","0.0476","","","0.1176","0.125","","","","","","1.003","","","","has coordinates","181615","2020-10-21","18:00:00",""
"7224502","8.9251","0.0007","9.9975","0.0008","16.7168","0.0013","90","","90.338","0.006","90","","1491.6","0.2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","[Cd2(N3)2(C2O4)(tzmb)2]n","","","- C26 H20 Cd2 N18 O4 -","- C26 H20 Cd2 N18 O4 -","- C52 H40 Cd4 N36 O8 -","2","0.5","","Xiao, Yu; Wang, Shuai-Hua; Zhao, Ya-Ping; Zheng, Fa-Kun; Guo, Guo-Cong","Fluorescence and photochromic properties of a series of new Zn(ii)/Cd(ii) coordination compounds with a flexible semi-rigid tetrazole‒viologen derivative","CrystEngComm","2016","18","14","2524","","10.1039/C6CE00317F","","","0.71073","MoKα","","0.0306","0.0267","","","0.0647","0.0682","","","","","","1.108","","","","has coordinates","181615","2020-10-21","18:00:00",""
"7224503","10.467","0.003","13.587","0.004","11.9","0.004","90","","112.036","0.007","90","","1568.7","0.8","293","2","293","2","","","","","","","","6","P 1 n 1","P -2yac","7","[ZnCl(N3)(tzmb)]2??H2O","","","- C24 H22 Cl2 N18 O Zn2 -","- C24 H20 Cl2 N18 O Zn2 -","- C48 H40 Cl4 N36 O2 Zn4 -","2","1","","Xiao, Yu; Wang, Shuai-Hua; Zhao, Ya-Ping; Zheng, Fa-Kun; Guo, Guo-Cong","Fluorescence and photochromic properties of a series of new Zn(ii)/Cd(ii) coordination compounds with a flexible semi-rigid tetrazole‒viologen derivative","CrystEngComm","2016","18","14","2524","","10.1039/C6CE00317F","","","0.71073","MoKα","","0.0621","0.0522","","","0.128","0.1344","","","","","","1.063","","","","has coordinates","181615","2020-10-21","18:00:00",""
"7224504","33.046","0.004","9.0309","0.001","16.4592","0.0018","90","","90","","90","","4912","1","173","2","173","2","","","","","","","","5","F d d 2","F 2 -2d","43","","","","- C24 H32 Mn N2 O8 -","- C24 H32 Mn N2 O8 -","- C192 H256 Mn8 N16 O64 -","8","0.5","","Liao, Liang; Ingram, Conrad W.; Bacsa, John; Zhang, Z. John; Dinadayalane, Tandabany","A hydrogen bonded Co(ii) coordination complex and a triply interpenetrating 3-D manganese(ii) coordination polymer from diaza crown ether with dibenzoate sidearms","CrystEngComm","2016","18","14","2425","","10.1039/C6CE00360E","","","0.71073","MoKα","","0.0523","0.0489","","","0.1259","0.1299","","","","","","1.06","","","","has coordinates","181617","2020-10-21","18:00:00",""
"7224505","9.7472","0.0009","22.777","0.002","7.0903","0.0007","90","","131.453","0.006","90","","1179.8","0.2","100","2","100","2","","","","","","","","5","C 1 m 1","C -2y","8","","","","- C24 H32 Co N2 O8 -","- C24 H32 Co N2 O8 -","- C48 H64 Co2 N4 O16 -","2","0.5","","Liao, Liang; Ingram, Conrad W.; Bacsa, John; Zhang, Z. John; Dinadayalane, Tandabany","A hydrogen bonded Co(ii) coordination complex and a triply interpenetrating 3-D manganese(ii) coordination polymer from diaza crown ether with dibenzoate sidearms","CrystEngComm","2016","18","14","2425","","10.1039/C6CE00360E","","","0.71073","MoKα","","0.0476","0.0425","","","0.0894","0.0918","","","","","","1.031","","","","has coordinates","181617","2020-10-21","18:00:00",""
"7224506","10.6102","0.001","21.855","0.002","22.183","0.002","90","","90","","90","","5143.9","0.8","100","2","100","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C24 H34 Cl2 N2 O7 -","- C24 H34 Cl2 N2 O7 -","- C192 H272 Cl16 N16 O56 -","8","2","","Liao, Liang; Ingram, Conrad W.; Bacsa, John; Zhang, Z. John; Dinadayalane, Tandabany","A hydrogen bonded Co(ii) coordination complex and a triply interpenetrating 3-D manganese(ii) coordination polymer from diaza crown ether with dibenzoate sidearms","CrystEngComm","2016","18","14","2425","","10.1039/C6CE00360E","","","0.71073","MoKα","","0.097","0.0641","","","0.1327","0.1515","","","","","","1.028","","","","has coordinates","181617","2020-10-21","18:00:00",""
"7224507","9.261","0.003","10.162","0.003","21.929","0.007","90","","95.901","0.007","90","","2052.8","1.1","273","2","273","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C26 H19 B N2 O2 -","- C26 H19 B N2 O2 -","- C104 H76 B4 N8 O8 -","4","1","","Deng, Ruiping; Li, Leijiao; Song, Mingxing; Zhao, Shuna; Zhou, Liang; Yao, Shuang","Synthesis and optoelectronic properties of oxadiazole coordinated boron complexes","CrystEngComm","2016","18","23","4382","","10.1039/C6CE00066E","","","0.71073","MoKα","","0.1326","0.0733","","","0.1669","0.2018","","","","","","0.987","","","","has coordinates","185281","2020-10-21","18:00:00",""
"7224508","10.9419","0.0004","11.4047","0.0005","14.4901","0.0007","97.473","0.004","107.198","0.004","105.458","0.004","1621.47","0.14","223","2","223","2","","","","","","","","5","P -1","-P 1","2","","","","- C52 H62 Cu6 N10 O38 -","- C52 H62 Cu6 N10 O38 -","- C52 H62 Cu6 N10 O38 -","1","0.5","","Liu, Lu; Peng, Yan-Fen; Lv, Xiu-Xiu; Li, Ke; Li, Bao-Long; Wu, Bing","Construction of three coordination polymers based on tetranuclear copper(ii) clusters: syntheses, structures and photocatalytic properties","CrystEngComm","2016","18","14","2490","","10.1039/C5CE02492G","","","0.71073","MoKα","","0.0449","0.0356","","","0.0885","0.0934","","","","","","1.043","","","","has coordinates","181622","2020-10-21","18:00:00",""
"7224509","12.5634","0.0005","10.1057","0.0005","18.1729","0.0009","90","","105.024","0.005","90","","2228.4","0.19","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C38 H46 Cu4 N10 O18 -","- C38 H46 Cu4 N10 O18 -","- C76 H92 Cu8 N20 O36 -","2","0.5","","Liu, Lu; Peng, Yan-Fen; Lv, Xiu-Xiu; Li, Ke; Li, Bao-Long; Wu, Bing","Construction of three coordination polymers based on tetranuclear copper(ii) clusters: syntheses, structures and photocatalytic properties","CrystEngComm","2016","18","14","2490","","10.1039/C5CE02492G","","","0.71073","MoKα","","0.0489","0.0365","","","0.0832","0.0889","","","","","","1.008","","","","has coordinates","181622","2020-10-21","18:00:00",""
"7224510","10.1345","0.0007","10.674","0.0007","11.4983","0.0009","98.733","0.006","113.119","0.007","92.033","0.005","1124.48","0.15","223","2","223","2","","","","","","","","6","P -1","-P 1","2","","","","- C32 H46 Cu4 N10 O24 S2 -","- C32 H46 Cu4 N10 O24 S2 -","- C32 H46 Cu4 N10 O24 S2 -","1","0.5","","Liu, Lu; Peng, Yan-Fen; Lv, Xiu-Xiu; Li, Ke; Li, Bao-Long; Wu, Bing","Construction of three coordination polymers based on tetranuclear copper(ii) clusters: syntheses, structures and photocatalytic properties","CrystEngComm","2016","18","14","2490","","10.1039/C5CE02492G","","","0.71073","MoKα","","0.0556","0.039","","","0.0786","0.0855","","","","","","1.004","","","","has coordinates","181622","2020-10-21","18:00:00",""
"7224511","33.52","0.003","11.8717","0.0009","16.0987","0.0013","90","","105.855","0.002","90","","6162.6","0.9","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C2.13 H3.02 Br0.26 N0.55 O0.04 -","- C2.12766 H2.89362 Br0.255319 N0.553191 O0.0425532 -","- C200 H272 Br24 N52 O4 -","94","11.75","","Chen, Fei-Jian; Gao, Zi-Hao; Liang, Li-Li; Zhang, Jun; Du, Hong-Bin","Facile preparation of extra-large pore zeolite ITQ-37 based on supramolecular assemblies as structure-directing agents","CrystEngComm","2016","18","15","2735","","10.1039/C5CE02312B","","","0.71073","MoKα","","0.1202","0.0553","","","0.1496","0.173","","","","","","1.072","","","","has coordinates","182647","2020-10-21","18:00:00",""
"7224512","16.9052","0.0011","15.7416","0.001","16.3948","0.0011","90","","90","","90","","4362.9","0.5","173","2","173","2","","","","","","","","5","P n a 21","P 2c -2n","33","","tetrakisvinylpyridine bisisothiocyanato nickel(II) diindene","","- C48 H44 N6 Ni S2 -","- C48 H44 N6 Ni S2 -","- C192 H176 N24 Ni4 S8 -","4","1","","Wicht, Merrill M.; Su, Hong; Báthori, Nikoletta B.; Nassimbeni, Luigi R.","Werner clathrate formation with polyaromatic hydrocarbons: comparison of different crystallisation methods","CrystEngComm","2016","18","14","2509","","10.1039/C5CE02185E","","","0.71073","MoKα","","0.0402","0.0354","","","0.0939","0.0976","","","","","","1.04","","","","has coordinates","181625","2020-10-21","18:00:00",""
"7224513","16.8137","0.0018","16.1198","0.0019","16.3865","0.0019","90","","90","","90","","4441.3","0.9","173","2","173","2","","","","","","","","5","P n a 21","P 2c -2n","33","","Tetrakisvinylpyridine bisisothiocyanato nickel(II) dinaphthalene","","- C50 H44 N6 Ni S2 -","- C50 H44 N6 Ni S2 -","- C200 H176 N24 Ni4 S8 -","4","1","","Wicht, Merrill M.; Su, Hong; Báthori, Nikoletta B.; Nassimbeni, Luigi R.","Werner clathrate formation with polyaromatic hydrocarbons: comparison of different crystallisation methods","CrystEngComm","2016","18","14","2509","","10.1039/C5CE02185E","","","0.71073","MoKα","","0.0731","0.0424","","","0.0744","0.0849","","","","","","1.003","","","","has coordinates","181625","2020-10-21","18:00:00",""
"7224514","16.7378","0.0012","16.1297","0.0012","16.4588","0.0012","90","","90","","90","","4443.5","0.6","173","2","173","2","","","","","","","","5","P n a 21","P 2c -2n","33","","Tetrakisvinylpyridine bisisothiocyanato nickel(II) diazulene","","- C50 H44 N6 Ni S2 -","- C50 H44 N6 Ni S2 -","- C200 H176 N24 Ni4 S8 -","4","1","","Wicht, Merrill M.; Su, Hong; Báthori, Nikoletta B.; Nassimbeni, Luigi R.","Werner clathrate formation with polyaromatic hydrocarbons: comparison of different crystallisation methods","CrystEngComm","2016","18","14","2509","","10.1039/C5CE02185E","","","0.71073","MoKα","","0.0351","0.0276","","","0.0611","0.0643","","","","","","1.014","","","","has coordinates,has disorder","181625","2020-10-21","18:00:00",""
"7224515","10.3322","0.001","16.8462","0.001","22.134","0.002","84.603","0.002","84.385","0.003","74.788","0.003","3690.4","0.5","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","Tetrakisvinylpyridine bisisothiocyanato nickel(II) fluorene","","- C159 H142 N24 Ni4 S8 -","- C159 H142 N24 Ni4 S8 -","- C159 H142 N24 Ni4 S8 -","1","0.5","","Wicht, Merrill M.; Su, Hong; Báthori, Nikoletta B.; Nassimbeni, Luigi R.","Werner clathrate formation with polyaromatic hydrocarbons: comparison of different crystallisation methods","CrystEngComm","2016","18","14","2509","","10.1039/C5CE02185E","","","0.71073","MoKα","","0.1403","0.0496","","","0.0911","0.1157","","","","","","1.001","","","","has coordinates,has disorder","181625","2020-10-21","18:00:00",""
"7224516","10.1821","0.0006","23.1916","0.0014","28.6186","0.0017","74.602","0.001","85.683","0.001","81.596","0.001","6440.7","0.7","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","Tetrakisvinylpyridine bisisothiocyanato nickel(II) fluorene","","- C133 H122 N24 Ni4 S8 -","- C133 H112 N24 Ni4 S8 -","- C266 H224 N48 Ni8 S16 -","2","1","","Wicht, Merrill M.; Su, Hong; Báthori, Nikoletta B.; Nassimbeni, Luigi R.","Werner clathrate formation with polyaromatic hydrocarbons: comparison of different crystallisation methods","CrystEngComm","2016","18","14","2509","","10.1039/C5CE02185E","","","0.71073","MoKα","","0.1735","0.1101","","","0.263","0.2973","","","","","","1.033","","","","has coordinates,has disorder","181625","2020-10-21","18:00:00",""
"7224517","10.4819","0.0009","16.8458","0.0014","22.569","0.0019","100.059","0.002","100.131","0.002","102.908","0.002","3727.6","0.5","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","Tetrakisvinylpyridine bisisothiocyanato nickel(II) phenanthrene.benzene","","- C80 H72 N12 Ni2 S4 -","- C80 H72 N12 Ni2 S4 -","- C160 H144 N24 Ni4 S8 -","2","1","","Wicht, Merrill M.; Su, Hong; Báthori, Nikoletta B.; Nassimbeni, Luigi R.","Werner clathrate formation with polyaromatic hydrocarbons: comparison of different crystallisation methods","CrystEngComm","2016","18","14","2509","","10.1039/C5CE02185E","","","0.71073","MoKα","","0.0663","0.0445","","","0.1122","0.1254","","","","","","1.022","","","","has coordinates,has disorder","181625","2020-10-21","18:00:00",""
"7224518","10.3117","0.0008","16.8992","0.0014","22.3886","0.0017","81.874","0.002","83.128","0.002","76.007","0.001","3732.8","0.5","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","Tetrakisvinylpyridine bisisothiocycanato nickel(II) phenanthrene","","- C38.75 H34.25 N6 Ni S2 -","- C38.7499 H34.25 N6 Ni S1.9999 -","- C155 H137 N24 Ni4 S7.9996 -","4","2","","Wicht, Merrill M.; Su, Hong; Báthori, Nikoletta B.; Nassimbeni, Luigi R.","Werner clathrate formation with polyaromatic hydrocarbons: comparison of different crystallisation methods","CrystEngComm","2016","18","14","2509","","10.1039/C5CE02185E","","","0.71073","MoKα","","0.1261","0.0561","","","0.1454","0.1808","","","","","","1.007","","","","has coordinates,has disorder","181625","2020-10-21","18:00:00",""
"7224519","10.1289","0.0004","16.477","0.0009","20.6537","0.001","100.43","0.002","97.129","0.003","105.351","0.003","3214.8","0.3","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","Tetrakisvinylpyridine bisisothiocyanato nickel(II) anthracene","","- C67 H56 N12 Ni2 S4 -","- C67 H56 N12 Ni2 S4 -","- C134 H112 N24 Ni4 S8 -","2","1","","Wicht, Merrill M.; Su, Hong; Báthori, Nikoletta B.; Nassimbeni, Luigi R.","Werner clathrate formation with polyaromatic hydrocarbons: comparison of different crystallisation methods","CrystEngComm","2016","18","14","2509","","10.1039/C5CE02185E","","","0.71073","MoKα","","0.1188","0.0666","","","0.1707","0.1974","","","","","","1.031","","","","has coordinates,has disorder","181625","2020-10-21","18:00:00",""
"7224520","10.9587","0.0007","12.1349","0.0008","19.7621","0.0012","93.907","0.001","91.426","0.001","97.878","0.001","2595.6","0.3","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","Tetrakisvinylpyridine bisisothiocyanato nickel(II) pyrene.methanol","","- C125 H100 N12 Ni2 O S4 -","- C125 H100 N12 Ni2 O S4 -","- C125 H100 N12 Ni2 O S4 -","1","0.5","","Wicht, Merrill M.; Su, Hong; Báthori, Nikoletta B.; Nassimbeni, Luigi R.","Werner clathrate formation with polyaromatic hydrocarbons: comparison of different crystallisation methods","CrystEngComm","2016","18","14","2509","","10.1039/C5CE02185E","","","0.71073","MoKα","","0.0461","0.0365","","","0.1056","0.1138","","","","","","1.027","","","","has coordinates,has disorder","181625","2020-10-21","18:00:00",""
"7224521","10.7757","0.0013","11.2641","0.0013","12.0018","0.0014","84.249","0.002","66.118","0.002","82.085","0.002","1317.8","0.3","294","2","294","2","","","","","","","","5","P -1","-P 1","2","","","","- C32 H24 F N3 O4 -","- C32 H24 F N3 O4 -","- C64 H48 F2 N6 O8 -","2","1","","Trivedi, Rajiv; Pambala, Ramesh; Kadiyala, Srinivasa Rao; Buddana, Sudheer Kumar; Reddy Shetty, Prakasham; Balasubramanian, Sridhar","Highly efficient regio and diastereoselective synthesis of functionalized bis-spirooxindoles and their antibacterial properties","RSC Adv.","2016","","","","","10.1039/C6RA00613B","","","0.71073","MoKα","","0.0507","0.0437","","","0.1188","0.1252","","","","","","1.043","","","","has coordinates","177651","2020-10-21","18:00:00",""
"7224522","8.0729","0.0003","17.6015","0.0007","14.4311","0.0006","90","","104.488","0.004","90","","1985.38","0.14","220","0.1","220","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C19 H19 N5 O5 S2 -","- C19 H19 N5 O5 S2 -","- C76 H76 N20 O20 S8 -","4","1","","Fu, Xue; Li, Jianhui; Wang, Lianyan; Wu, Bing; Xu, Xu; Deng, Zongwu; Zhang, Hailu","Pharmaceutical Crystalline Complexes of Sulfamethazine with Saccharin: Same Interaction Site but Different Ionization States","RSC Adv.","2016","","","","","10.1039/C5RA27759K","","","1.54184","CuKα","","0.0607","0.0473","","","0.1185","0.1302","","","","","","1.051","","","","has coordinates","177653","2020-10-21","18:00:00",""
"7224523","10.5425","0.0003","16.0431","0.0004","25.3246","0.0006","90","","90","","90","","4283.26","0.19","220","0.1","220","0.1","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C19 H19 N5 O5 S2 -","- C19 H19 N5 O5 S2 -","- C152 H152 N40 O40 S16 -","8","1","","Fu, Xue; Li, Jianhui; Wang, Lianyan; Wu, Bing; Xu, Xu; Deng, Zongwu; Zhang, Hailu","Pharmaceutical Crystalline Complexes of Sulfamethazine with Saccharin: Same Interaction Site but Different Ionization States","RSC Adv.","2016","","","","","10.1039/C5RA27759K","","x-ray","0.71073","MoKα","","0.0559","0.0398","","","0.1283","0.1428","","","","","","1.013","","","","has coordinates","177653","2020-10-21","18:00:00",""
"7224524","7.0831","0.0002","10.0442","0.0002","28.1976","0.0005","90","","90","","90","","2006.09","0.08","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","S-(‒)-5,6,8-trihydroxy-4-(1?-hydroxyethyl)isocoumarin","","- C11 H10 O6 -","- C11 H10 O6 -","- C88 H80 O48 -","8","2","","Chen, Senhua; Liu, Yayue; Liu, Zhaoming; Cai, Ruilin; Lu, Yongjun; Huang, Xishan; She, Zhi-Gang","Isocoumarins and Benzofurans from the Mangrove Endophytic Fungus Talaromyces amestolkiae Possessing α-Glucosidase Inhibitory and Antibacterial Activities","RSC Adv.","2016","","","","","10.1039/C6RA02566H","","","1.54178","CuKα","","0.0312","0.0286","","","0.0722","0.0745","","","","","","1.054","","","","has coordinates","194155","2020-10-21","18:00:00",""
"7224525","16.9806","0.0005","8.6168","0.0002","20.4475","0.0006","90","","98.426","0.003","90","","2959.55","0.14","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C19 H17 N O2 -","- C19 H17 N O2 -","- C152 H136 N8 O16 -","8","1","","Liu, Yun; Sun, Zhou; Li, Song; Xiang, Kuirong; Zhang, Yuan; Li, Ying","Mg(ClO4)2-Promoted [4 + 3] Cycloaddition of Oxindole Derivatives with Conjugated Dienes: Concise Synthesis of Spirocycloheptane Oxindole Derivatives","RSC Adv.","2016","","","","","10.1039/C6RA03259A","","","1.5418","CuKα","","0.068","0.0639","","","0.1709","0.178","","","","","","1.07","","","","has coordinates","177657","2020-10-21","18:00:00",""
"7224526","10.153","0.005","10.171","0.005","12.242","0.005","77.609","0.005","78.327","0.005","75.424","0.005","1180.2","1","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","2-Fluoro-dibenzo[b,h][1,6]naphthyridine","","- C16 H9 F N2 -","- C16 H9 F N2 -","- C64 H36 F4 N8 -","4","2","","singh, jay bahadur; Bharadwaj, Kishor Chandra; Gupta, Tanu; Singh, Radhey M.","Ligand-free palladium catalyzed facile construction of tetra cyclic dibenzo[b,h][1,6]naphthyridine derivatives: Domino sequence of intramolecular C-H bond arylation and oxidation reactions","RSC Adv.","2016","","","","","10.1039/C6RA00505E","","","0.71073","MoKα","","0.0842","0.048","","","0.1035","0.1297","","","","","","1.024","","","","has coordinates","177659","2020-10-21","18:00:00",""
"7224527","27.9705","0.0015","27.9705","0.0015","27.9705","0.0015","90","","90","","90","","21883","2","296","2","296","2","","","","","","","","6","F 41 3 2","F 4d 2 3","210","","","","- C42 H42 Cl3 N3 O18 Tb2 -","- C42 H42 Cl3 N3 O18 Tb2 -","- C672 H672 Cl48 N48 O288 Tb32 -","16","0.166667","","Wang, Kai-Min; Du, Lin; Ma, Yu-Lu; Zhao, Jing-Song; Wang, Quan; Yan, Tong; Zhao, Qi-Hua","Multifunctional chemical sensors and luminescent thermometers based on lanthanide metal‒organic framework materials","CrystEngComm","2016","18","15","2690","","10.1039/C5CE02367J","","","0.71073","MoKα","","0.0578","0.0517","","","0.1575","0.1616","","","","","","1.01","","","","has coordinates,has disorder","182638","2020-10-21","18:00:00",""
"7224528","28.0835","0.0018","28.0835","0.0018","28.0835","0.0018","90","","90","","90","","22149","2","296","2","296","2","","","","","","","","6","F 41 3 2","F 4d 2 3","210","","","","- C42 H45 Cl3 N3 O18 Sm2 -","- C42 H39 Cl3 N3 O18 Sm2 -","- C672 H624 Cl48 N48 O288 Sm32 -","16","0.166667","","Wang, Kai-Min; Du, Lin; Ma, Yu-Lu; Zhao, Jing-Song; Wang, Quan; Yan, Tong; Zhao, Qi-Hua","Multifunctional chemical sensors and luminescent thermometers based on lanthanide metal‒organic framework materials","CrystEngComm","2016","18","15","2690","","10.1039/C5CE02367J","","","0.71073","MoKα","","0.0647","0.0587","","","0.1858","0.1899","","","","","","1.143","","","","has coordinates,has disorder","182638","2020-10-21","18:00:00",""
"7224529","27.8574","0.0012","27.8574","0.0012","27.8574","0.0012","90","","90","","90","","21618.3","1.6","296","2","296","2","","","","","","","","6","F 41 3 2","F 4d 2 3","210","","","","- C7 H7 Cl0.5 Er0.33 N0.5 O3 -","- C7 H7 Cl0.5 Er0.333333 N0.5 O3 -","- C672 H672 Cl48 Er32 N48 O288 -","96","1","","Wang, Kai-Min; Du, Lin; Ma, Yu-Lu; Zhao, Jing-Song; Wang, Quan; Yan, Tong; Zhao, Qi-Hua","Multifunctional chemical sensors and luminescent thermometers based on lanthanide metal‒organic framework materials","CrystEngComm","2016","18","15","2690","","10.1039/C5CE02367J","","","0.71073","MoKα","","0.0479","0.042","","","0.1253","0.1277","","","","","","1.169","","","","has coordinates,has disorder","182638","2020-10-21","18:00:00",""
"7224530","27.9996","0.0006","27.9996","0.0006","27.9996","0.0006","90","","90","","90","","21951.1","0.8","296","2","296","2","","","","","","","","6","F 41 3 2","F 4d 2 3","210","","","","- C42 H42 Cl3 Gd2 N3 O18 -","- C42 H42 Cl3 Gd2 N3 O18 -","- C672 H672 Cl48 Gd32 N48 O288 -","16","0.166667","","Wang, Kai-Min; Du, Lin; Ma, Yu-Lu; Zhao, Jing-Song; Wang, Quan; Yan, Tong; Zhao, Qi-Hua","Multifunctional chemical sensors and luminescent thermometers based on lanthanide metal‒organic framework materials","CrystEngComm","2016","18","15","2690","","10.1039/C5CE02367J","","","0.71073","MoKα","","0.0577","0.0492","","","0.1354","0.1395","","","","","","1.178","","","","has coordinates,has disorder","182638","2020-10-21","18:00:00",""
"7224531","27.849","0.002","27.849","0.002","27.849","0.002","90","","90","","90","","21599","3","296","2","296","2","","","","","","","","6","F 41 3 2","F 4d 2 3","210","","","","- C7 H7.67 Cl0.5 N0.5 O3.33 Yb0.33 -","- C7 H7.6666 Cl N0.5 O3.3333 Yb0.333333 -","- C672 H735.994 Cl96 N48 O319.997 Yb32 -","96","1","","Wang, Kai-Min; Du, Lin; Ma, Yu-Lu; Zhao, Jing-Song; Wang, Quan; Yan, Tong; Zhao, Qi-Hua","Multifunctional chemical sensors and luminescent thermometers based on lanthanide metal‒organic framework materials","CrystEngComm","2016","18","15","2690","","10.1039/C5CE02367J","","","0.71073","MoKα","","0.0633","0.0579","","","0.1869","0.1928","","","","","","1.103","","","","has coordinates,has disorder","182638","2020-10-21","18:00:00",""
"7224532","12.7068","0.0018","13.1565","0.0016","17.082","0.003","73.022","0.004","83.299","0.005","63.09","0.004","2435.1","0.6","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C14 H76 Co8 N14 O76 Si2 W18 -","- C14 H42 Co8 N14 O76 Si2 W18 -","- C14 H42 Co8 N14 O76 Si2 W18 -","1","0.5","","Zhu, Yu; Fang, Wei-Hui; Wei, Qi; Yang, Guo-Yu","Extended hybrid architectures based on tetra-CoIIsandwiched polyoxotungstates","CrystEngComm","2016","18","15","2712","","10.1039/C6CE00374E","","","0.71073","MoKα","","0.0509","0.0444","","","0.1342","0.1455","","","","","","1.077","","","","has coordinates","182639","2020-10-21","18:00:00",""
"7224533","12.0203","0.0002","14.7565","0.0004","16.2297","0.0004","95.69","0.002","109.65","0.002","92.242","0.002","2689.7","0.11","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C30 H108 Co10 N20 O72 Si2 W18 -","- C30 H100 Co10 N20 O72 Si2 W18 -","- C30 H100 Co10 N20 O72 Si2 W18 -","1","0.5","","Zhu, Yu; Fang, Wei-Hui; Wei, Qi; Yang, Guo-Yu","Extended hybrid architectures based on tetra-CoIIsandwiched polyoxotungstates","CrystEngComm","2016","18","15","2712","","10.1039/C6CE00374E","","","0.71073","MoKα","","0.0365","0.0297","","","0.0714","0.0756","","","","","","1.048","","","","has coordinates","182639","2020-10-21","18:00:00",""
"7224534","11.9641","0.0003","12.0257","0.0004","16.0944","0.0005","102.457","0.003","96.489","0.003","113.464","0.003","2022.34","0.13","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C10 H80 Co6 N10 O84 Si2 W18 -","- C10 H38 Co6 N10 O84 Si2 W18 -","- C10 H38 Co6 N10 O84 Si2 W18 -","1","0.5","","Zhu, Yu; Fang, Wei-Hui; Wei, Qi; Yang, Guo-Yu","Extended hybrid architectures based on tetra-CoIIsandwiched polyoxotungstates","CrystEngComm","2016","18","15","2712","","10.1039/C6CE00374E","","","0.71073","MoKα","","0.0513","0.0454","","","0.0955","0.0998","","","","","","1.029","","","","has coordinates","182639","2020-10-21","18:00:00",""
"7224535","7.4761","0.0005","18.313","0.0014","25.1258","0.0018","90","","93.708","0.002","90","","3432.8","0.4","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C38 H27 N5 O6 S Zn -","- C38 H27 N5 O6 S Zn -","- C152 H108 N20 O24 S4 Zn4 -","4","1","","Guo, Xianmin; Yan, Yongnian; Guo, Huadong; Qi, Yanjuan; Liu, Chunming","Seven entangled coordination polymers assembled from triphenylamine-based bisimidazole and dicarboxylates: interpenetration, self-penetration and mixed entanglement","CrystEngComm","2016","18","14","2546","","10.1039/C6CE00102E","","","0.71073","MoKα","","0.1323","0.0521","","","0.1112","0.1518","","","","","","0.989","","","","has coordinates","181619","2020-10-21","18:00:00",""
"7224536","12.2467","0.0019","19.625","0.003","13.998","0.002","90","","97.063","0.004","90","","3338.8","0.9","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C36 H25 N5 O4 Zn -","- C36 H25 N5 O4 Zn -","- C144 H100 N20 O16 Zn4 -","4","1","","Guo, Xianmin; Yan, Yongnian; Guo, Huadong; Qi, Yanjuan; Liu, Chunming","Seven entangled coordination polymers assembled from triphenylamine-based bisimidazole and dicarboxylates: interpenetration, self-penetration and mixed entanglement","CrystEngComm","2016","18","14","2546","","10.1039/C6CE00102E","","","0.71073","MoKα","","0.1544","0.0687","","","0.1879","0.2451","","","","","","0.987","","","","has coordinates","181619","2020-10-21","18:00:00",""
"7224537","10.015","0.007","11.864","0.009","12.319","0.009","98.31","0.014","99.091","0.014","91.291","0.014","1428.6","1.8","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C64 H46 N10 O8 Zn2 -","- C64 H46 N10 O8 Zn2 -","- C64 H46 N10 O8 Zn2 -","1","0.5","","Guo, Xianmin; Yan, Yongnian; Guo, Huadong; Qi, Yanjuan; Liu, Chunming","Seven entangled coordination polymers assembled from triphenylamine-based bisimidazole and dicarboxylates: interpenetration, self-penetration and mixed entanglement","CrystEngComm","2016","18","14","2546","","10.1039/C6CE00102E","","","0.71073","MoKα","","0.0606","0.0383","","","0.0976","0.1168","","","","","","1.106","","","","has coordinates","181619","2020-10-21","18:00:00",""
"7224538","12.4152","0.0009","9.8806","0.0007","27.299","0.002","90","","97.276","0.002","90","","3321.8","0.4","293","2","293","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C80 H58 N10 O8 Zn2 -","- C80 H58 N10 O8 Zn2 -","- C160 H116 N20 O16 Zn4 -","2","0.5","","Guo, Xianmin; Yan, Yongnian; Guo, Huadong; Qi, Yanjuan; Liu, Chunming","Seven entangled coordination polymers assembled from triphenylamine-based bisimidazole and dicarboxylates: interpenetration, self-penetration and mixed entanglement","CrystEngComm","2016","18","14","2546","","10.1039/C6CE00102E","","","0.71073","MoKα","","0.1373","0.0545","","","0.1286","0.1844","","","","","","1.035","","","","has coordinates","181619","2020-10-21","18:00:00",""
"7224539","16.8782","0.0007","21.3492","0.0009","20.0506","0.0011","90","","112.197","0.001","90","","6689.5","0.5","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C38 H29 Cd N5 O6 -","- C38 H27 Cd N5 O6 -","- C304 H216 Cd8 N40 O48 -","8","1","","Guo, Xianmin; Yan, Yongnian; Guo, Huadong; Qi, Yanjuan; Liu, Chunming","Seven entangled coordination polymers assembled from triphenylamine-based bisimidazole and dicarboxylates: interpenetration, self-penetration and mixed entanglement","CrystEngComm","2016","18","14","2546","","10.1039/C6CE00102E","","","0.71073","MoKα","","0.057","0.0325","","","0.0862","0.1157","","","","","","1.119","","","","has coordinates","181619","2020-10-21","18:00:00",""
"7224540","9.7159","0.0019","11.154","0.002","16.493","0.003","72.729","0.003","78.866","0.004","85.786","0.004","1674.4","0.5","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C76 H54 Cd2 N10 O8 -","- C76 H50 Cd2 N10 O8 -","- C76 H50 Cd2 N10 O8 -","1","0.5","","Guo, Xianmin; Yan, Yongnian; Guo, Huadong; Qi, Yanjuan; Liu, Chunming","Seven entangled coordination polymers assembled from triphenylamine-based bisimidazole and dicarboxylates: interpenetration, self-penetration and mixed entanglement","CrystEngComm","2016","18","14","2546","","10.1039/C6CE00102E","","","0.71073","MoKα","","0.0734","0.0459","","","0.124","0.1509","","","","","","1.08","","","","has coordinates,has disorder","181619","2020-10-21","18:00:00",""
"7224541","9.8926","0.0016","13.378","0.002","19.747","0.003","97.526","0.003","100.724","0.003","97.005","0.003","2516.7","0.7","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C96 H76 Cd3 N12 O14 -","- C90 H62 Cd3 N10 O12 -","- C90 H62 Cd3 N10 O12 -","1","0.5","","Guo, Xianmin; Yan, Yongnian; Guo, Huadong; Qi, Yanjuan; Liu, Chunming","Seven entangled coordination polymers assembled from triphenylamine-based bisimidazole and dicarboxylates: interpenetration, self-penetration and mixed entanglement","CrystEngComm","2016","18","14","2546","","10.1039/C6CE00102E","","","0.71073","MoKα","","0.0857","0.0609","","","0.1801","0.1905","","","","","","1.025","","","","has coordinates,has disorder","181619","2020-10-21","18:00:00",""
"7224542","18.2405","0.0016","35.036","0.002","22.8447","0.0014","90","","101.071","0.008","90","","14327.8","1.8","150","2","150","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C56 H80 N8 Na4 O116 P2 W18 Yb2 -","- C56 H64 N8 Na4 O116 P2 W18 Yb2 -","- C224 H256 N32 Na16 O464 P8 W72 Yb8 -","4","0.5","","Reddy, Pulikanti Guruprasad; Mamidi, Narsimha; Pradeep, Chullikkattil P.","An organic–inorganic hybrid supramolecular framework material based on a [P2W18O62]6−cluster and Yb & Na complexes of pyridine-2,6-dicarboxylic acid: a catalyst for selective oxidation of sulfides in water with H2O2","CrystEngComm","2016","18","23","4272","","10.1039/C5CE02546J","","","0.71073","MoKα","","0.1233","0.0849","","","0.2288","0.2872","","","","","","1.048","","","","has coordinates","290444","2024-03-12","09:55:30",""
"7224543","10.424","0.0006","21.2481","0.0011","11.2337","0.0006","90","","109.875","0.002","90","","2340","0.2","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Diethyl 6-amino-4-(benzofuran-2-yl)-5-cyano-1-phenyl-1,4-dihydropyridine-2,3-dicarboxylate","","- C26 H23 N3 O5 -","- C26 H23 N3 O5 -","- C104 H92 N12 O20 -","4","1","","PASHA, MOHAMED AFZAL; tabassum, sumaiya; govindaraju, santhosh; rahaman khan, riyaz ur","Ultrasound mediated, green innovation for the synthesis of polysubstituted 1,4-dihydropyridines","RSC Adv.","2016","","","","","10.1039/C6RA05441B","","","0.71073","MoKα","","0.0286","0.0276","","","0.0641","0.0654","","","","","","0.899","","","","has coordinates","178016","2020-10-21","18:00:00",""
"7224544","9.9491","0.0003","11.8834","0.0004","12.582","0.0004","112.932","0.001","99.264","0.001","109.587","0.001","1215.64","0.07","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","Diethyl 6-amino-4-(benzofuran-2-yl)-5-cyano-1-p-tolyl-1,4-dihydropyridine-2,3-dicarboxylate","","- C27 H25 N3 O5 -","- C27 H25 N3 O5 -","- C54 H50 N6 O10 -","2","1","","PASHA, MOHAMED AFZAL; tabassum, sumaiya; govindaraju, santhosh; rahaman khan, riyaz ur","Ultrasound mediated, green innovation for the synthesis of polysubstituted 1,4-dihydropyridines","RSC Adv.","2016","","","","","10.1039/C6RA05441B","","","0.71073","MoKα","","0.0341","0.0332","","","0.0775","0.0787","","","","","","1.049","","","","has coordinates","178016","2020-10-21","18:00:00",""
"7224545","7.685","0.004","9.476","0.005","10.132","0.005","99.684","0.008","102.043","0.009","94.185","0.008","706.8","0.6","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C10 H15 Cl Cu N4 O3 S -","- C10 H15 Cl Cu N4 O3 S -","- C20 H30 Cl2 Cu2 N8 O6 S2 -","2","1","","Mohamed Subarkhan, M.; Prabhu, R. N.; Raj Kumar, R.; Ramesh, R.","Antiproliferative activity of cationic and neutral thiosemicarbazone copper(ii) complexes","RSC Adv.","2016","6","30","25082","","10.1039/C5RA26071J","","","0.71073","MoKα","","0.0677","0.0465","","","0.1176","0.1288","","","","","","1.023","","","","has coordinates","178017","2020-10-21","18:00:00",""
"7224546","24.526","0.013","10.497","0.006","16.882","0.009","90","","95.056","0.008","90","","4329","4","293","2","293","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C18 H24 Cl Cu N5 O4 S -","- C18 H24 Cl Cu N5 O4 S -","- C144 H192 Cl8 Cu8 N40 O32 S8 -","8","1","","Mohamed Subarkhan, M.; Prabhu, R. N.; Raj Kumar, R.; Ramesh, R.","Antiproliferative activity of cationic and neutral thiosemicarbazone copper(ii) complexes","RSC Adv.","2016","6","30","25082","","10.1039/C5RA26071J","","","0.71073","MoKα","","0.0857","0.0676","","","0.163","0.1734","","","","","","1.047","","","","has coordinates","178017","2020-10-21","18:00:00",""
"7224547","17.342","0.0003","15.8773","0.0002","18.855","0.0003","90","","90","","90","","5191.61","0.14","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C18 H12 N6 O4 Zn -","- C18 H12 N6 O4 Zn -","- C144 H96 N48 O32 Zn8 -","8","1","","Chen, Di-Ming; Tian, Jia-Yue; Fang, Shao-Ming; Liu, Chun-Sen","Two isomeric Zn(ii)-based metal‒organic frameworks constructed from a bifunctional triazolate‒carboxylate tecton exhibiting distinct gas sorption behaviors","CrystEngComm","2016","18","14","2579","","10.1039/C6CE00126B","","x-ray","1.54184","CuKα","","0.0535","0.0477","","","0.1822","0.1884","","","","","","1.122","","","","has coordinates","181614","2020-10-21","18:00:00",""
"7224548","14.6252","0.0007","16.5703","0.0007","10.4179","0.0005","90","","90","","90","","2524.7","0.2","273","2","273.15","","","","","","","","","5","P 1 n 1","P -2yac","7","","","","- C18 H12 N6 O4 Zn -","- C18 H12 N6 O4 Zn -","- C72 H48 N24 O16 Zn4 -","4","2","","Chen, Di-Ming; Tian, Jia-Yue; Fang, Shao-Ming; Liu, Chun-Sen","Two isomeric Zn(ii)-based metal‒organic frameworks constructed from a bifunctional triazolate‒carboxylate tecton exhibiting distinct gas sorption behaviors","CrystEngComm","2016","18","14","2579","","10.1039/C6CE00126B","","x-ray","0.71073","MoKα","","0.0737","0.0691","","","0.2073","0.2112","","","","","","1.117","","","","has coordinates","181614","2020-10-21","18:00:00",""
"7224549","11.6136","0.0006","13.4816","0.0008","16.281","0.0011","89.934","0.005","78.409","0.005","71.845","0.005","2367.6","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C56 H30 Eu2 N4 O16 -","- C56 H30 Eu2 N4 O16 -","- C112 H60 Eu4 N8 O32 -","2","1","","Liu, Jingjuan; Sun, Wei; Liu, Zhiliang","White-light emitting materials with tunable luminescence based on steady Eu(iii) doping of Tb(iii) metal‒organic frameworks","RSC Adv.","2016","6","31","25689","","10.1039/C6RA01931E","","","1.54178","CuKα","","0.1036","0.0743","","","0.1696","0.1981","","","","","","1.029","","","","has coordinates","178044","2020-10-21","18:00:00",""
"7224550","24.9004","0.0016","7.9696","0.0006","27.613","0.002","90","","90","","90","","5479.7","0.7","293","2","293","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C54 H54 Co N12 O12 -","- C54 H52 Co N12 O12 -","- C216 H208 Co4 N48 O48 -","4","0.5","","Huang, Tao; Wang, Yu-Ling; Yin, Qi; Karadeniz, Bahar; Li, Hong-Fang; Lü, Jian; Cao, Rong","Cobalt coordination polymers regulated by in situ ligand transformation","CrystEngComm","2016","18","15","2742","","10.1039/C6CE00104A","","","0.71073","MoKα","","0.1167","0.0804","","","0.2067","0.2357","","","","","","1.064","","","","has coordinates","182646","2020-10-21","18:00:00",""
"7224551","11.6287","0.0003","8.0502","0.0002","23.5159","0.0006","90","","103.876","0.003","90","","2137.16","0.1","185","0.1","185","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C48 H32 Co N10 O8 -","- C48 H32 Co N10 O8 -","- C96 H64 Co2 N20 O16 -","2","0.5","","Huang, Tao; Wang, Yu-Ling; Yin, Qi; Karadeniz, Bahar; Li, Hong-Fang; Lü, Jian; Cao, Rong","Cobalt coordination polymers regulated by in situ ligand transformation","CrystEngComm","2016","18","15","2742","","10.1039/C6CE00104A","","x-ray","1.54184","CuKα","","0.0496","0.0442","","","0.1167","0.1215","","","","","","1.037","","","","has coordinates","182646","2020-10-21","18:00:00",""
"7224552","6.702","0.0003","11.4636","0.0004","17.2245","0.0006","106.65","0.003","91.064","0.004","98.714","0.004","1250.54","0.09","185","0.1","185","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C56 H34 Co3 N10 O12 -","- C56 H34 Co3 N10 O12 -","- C56 H34 Co3 N10 O12 -","1","0.5","","Huang, Tao; Wang, Yu-Ling; Yin, Qi; Karadeniz, Bahar; Li, Hong-Fang; Lü, Jian; Cao, Rong","Cobalt coordination polymers regulated by in situ ligand transformation","CrystEngComm","2016","18","15","2742","","10.1039/C6CE00104A","","x-ray","1.54184","CuKα","","0.0389","0.0351","","","0.0886","0.0909","","","","","","1.05","","","","has coordinates","182646","2020-10-21","18:00:00",""
"7224553","11.844","0.005","18.268","0.008","16.34","0.007","90","","103.291","0.005","90","","3441","3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C34 H39 Cl4 Fe N2 -","- C34 H39 Cl4 Fe N2 -","- C136 H156 Cl16 Fe4 N8 -","4","1","","Yu, Hai-Bin; Li, Hai-Tao; Zhang, Peng; Famulari, Antonino; Guo, Fang; Bargigia, Ilaria; Martí-Rujas, Javier","Exploiting polymorphism in second sphere coordination: thermal transformation, NLO properties and selective mechanochemical synthesis","CrystEngComm","2016","18","14","2408","","10.1039/C6CE00366D","","","0.71073","MoKα","","0.1665","0.1078","","","0.3086","0.3658","","","","","","0.948","","","","has coordinates","181621","2020-10-21","18:00:00",""
"7224554","19.428","0.003","14.4576","0.0015","11.916","0.0016","90","","90","","90","","3347","0.8","200","2","200","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C34 H39 Cl4 Fe N2 -","- C34 H38 Cl4 Fe N2 -","- C136 H152 Cl16 Fe4 N8 -","4","1","","Yu, Hai-Bin; Li, Hai-Tao; Zhang, Peng; Famulari, Antonino; Guo, Fang; Bargigia, Ilaria; Martí-Rujas, Javier","Exploiting polymorphism in second sphere coordination: thermal transformation, NLO properties and selective mechanochemical synthesis","CrystEngComm","2016","18","14","2408","","10.1039/C6CE00366D","","","1.54178","CuKα","","0.2161","0.1086","","","0.293","0.3592","","","","","","1.08","","","","has coordinates","181621","2020-10-21","18:00:00",""
"7224555","17.33","0.03","11.523","0.017","14.65","0.02","90","","106.739","0.017","90","","2802","7","293","2","293","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C34 H38 N2 -","- C34 H38 N2 -","- C136 H152 N8 -","4","0.5","","Yu, Hai-Bin; Li, Hai-Tao; Zhang, Peng; Famulari, Antonino; Guo, Fang; Bargigia, Ilaria; Martí-Rujas, Javier","Exploiting polymorphism in second sphere coordination: thermal transformation, NLO properties and selective mechanochemical synthesis","CrystEngComm","2016","18","14","2408","","10.1039/C6CE00366D","","","0.71073","MoKα","","0.0889","0.0539","","","0.1376","0.1607","","","","","","1","","","","has coordinates","181621","2020-10-21","18:00:00",""
"7224556","13.295","0.011","14.652","0.013","15.117","0.013","90","","103.464","0.016","90","","2864","4","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H17 N4 O12 Zn2 -","- C28 H17 N4 O12 Zn2 -","- C112 H68 N16 O48 Zn8 -","4","1","","Li, Quan-Quan; Zhang, Wen-Qian; Ren, Chun-Yan; Fan, Yan-Ping; Li, Jian-Li; Liu, Ping; Wang, Yao-Yu","Reaction-determined assemblies of 0D to 3D complexes: structural diversities and luminescence properties","CrystEngComm","2016","18","19","3358","","10.1039/C6CE00273K","","","0.71073","MoKα","","0.1273","0.0681","","","0.1756","0.21","","","","","","0.879","","","","has coordinates","185297","2020-10-21","18:00:00",""
"7224557","7.9827","0.0003","14.5526","0.0005","22.379","0.0011","90","","102.608","0.005","90","","2537.06","0.19","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H12 N4 O12 Zn2 -","- C26 H12 N4 O12 Zn2 -","- C104 H48 N16 O48 Zn8 -","4","1","","Li, Quan-Quan; Zhang, Wen-Qian; Ren, Chun-Yan; Fan, Yan-Ping; Li, Jian-Li; Liu, Ping; Wang, Yao-Yu","Reaction-determined assemblies of 0D to 3D complexes: structural diversities and luminescence properties","CrystEngComm","2016","18","19","3358","","10.1039/C6CE00273K","","","0.71073","MoKα","","0.1568","0.1465","","","0.2996","0.3159","","","","","","1.137","","","","has coordinates,has disorder","185297","2020-10-21","18:00:00",""
"7224558","11.5833","0.0005","11.7884","0.0005","13.8783","0.0006","96.027","0.008","92.924","0.006","107.066","0.009","1794.92","0.17","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C40 H22 N6 O12 Zn -","- C40 H22 N6 O12 Zn -","- C80 H44 N12 O24 Zn2 -","2","1","","Li, Quan-Quan; Zhang, Wen-Qian; Ren, Chun-Yan; Fan, Yan-Ping; Li, Jian-Li; Liu, Ping; Wang, Yao-Yu","Reaction-determined assemblies of 0D to 3D complexes: structural diversities and luminescence properties","CrystEngComm","2016","18","19","3358","","10.1039/C6CE00273K","","","0.71073","MoKα","","0.1775","0.1124","","","0.2373","0.3151","","","","","","1.069","","","","has coordinates,has disorder","185297","2020-10-21","18:00:00",""
"7224559","13.0719","0.0006","22.534","0.0011","16.8938","0.0008","90","","99.908","0.001","90","","4902.1","0.4","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C32 H8 Cd3 N4 O27 -","- C32 H8 Cd3 N4 O27 -","- C128 H32 Cd12 N16 O108 -","4","1","","Li, Quan-Quan; Zhang, Wen-Qian; Ren, Chun-Yan; Fan, Yan-Ping; Li, Jian-Li; Liu, Ping; Wang, Yao-Yu","Reaction-determined assemblies of 0D to 3D complexes: structural diversities and luminescence properties","CrystEngComm","2016","18","19","3358","","10.1039/C6CE00273K","","","0.71073","MoKα","","0.0461","0.0369","","","0.1145","0.1204","","","","","","1.008","","","","has coordinates","185297","2020-10-21","18:00:00",""
"7224560","7.52","0.007","15.85","0.015","22.8","0.02","90","","90.031","0.017","90","","2718","4","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H13 Cd2 N5 O12 -","- C26 H13 Cd2 N5 O12 -","- C104 H52 Cd8 N20 O48 -","4","1","","Li, Quan-Quan; Zhang, Wen-Qian; Ren, Chun-Yan; Fan, Yan-Ping; Li, Jian-Li; Liu, Ping; Wang, Yao-Yu","Reaction-determined assemblies of 0D to 3D complexes: structural diversities and luminescence properties","CrystEngComm","2016","18","19","3358","","10.1039/C6CE00273K","","","0.71073","MoKα","","0.0977","0.0607","","","0.1481","0.1652","","","","","","1.032","","","","has coordinates,has disorder","185297","2020-10-21","18:00:00",""
"7224561","9.8097","0.0014","11.9458","0.0017","13.1508","0.0019","99.002","0.002","93.161","0.002","110.61","0.002","1414.5","0.4","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C29 H20 Ag2 N4 O12 -","- C29 H20 Ag2 N4 O12 -","- C58 H40 Ag4 N8 O24 -","2","1","","Li, Quan-Quan; Zhang, Wen-Qian; Ren, Chun-Yan; Fan, Yan-Ping; Li, Jian-Li; Liu, Ping; Wang, Yao-Yu","Reaction-determined assemblies of 0D to 3D complexes: structural diversities and luminescence properties","CrystEngComm","2016","18","19","3358","","10.1039/C6CE00273K","","","0.71073","MoKα","","0.0517","0.0466","","","0.1522","0.1727","","","","","","1.022","","","","has coordinates","185297","2020-10-21","18:00:00",""
"7224562","9.782","0.005","13.006","0.007","16.517","0.009","105.994","0.009","93.197","0.008","109.106","0.009","1884","1.7","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C40 H24 Co2 N6 O14 -","- C40 H24 Co2 N6 O14 -","- C80 H48 Co4 N12 O28 -","2","1","","Li, Quan-Quan; Zhang, Wen-Qian; Ren, Chun-Yan; Fan, Yan-Ping; Li, Jian-Li; Liu, Ping; Wang, Yao-Yu","Reaction-determined assemblies of 0D to 3D complexes: structural diversities and luminescence properties","CrystEngComm","2016","18","19","3358","","10.1039/C6CE00273K","","","0.71073","MoKα","","0.0971","0.0691","","","0.1731","0.247","","","","","","1.016","","","","has coordinates","185297","2020-10-21","18:00:00",""
"7224563","9.7979","0.0014","12.993","0.0018","16.45","0.002","106.174","0.002","93.467","0.002","108.962","0.002","1875.7","0.4","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C40 H24 N6 Ni2 O14 -","- C40 H24 N6 Ni2 O14 -","- C80 H48 N12 Ni4 O28 -","2","1","","Li, Quan-Quan; Zhang, Wen-Qian; Ren, Chun-Yan; Fan, Yan-Ping; Li, Jian-Li; Liu, Ping; Wang, Yao-Yu","Reaction-determined assemblies of 0D to 3D complexes: structural diversities and luminescence properties","CrystEngComm","2016","18","19","3358","","10.1039/C6CE00273K","","","0.71073","MoKα","","0.0942","0.0622","","","0.1482","0.227","","","","","","1.006","","","","has coordinates","185297","2020-10-21","18:00:00",""
"7224564","10.059","0.002","11.605","0.003","16.86","0.004","77.458","0.004","79.847","0.004","79.381","0.004","1869.1","0.8","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C40 H22 Co N6 O14 -","- C40 H22 Co N6 O14 -","- C80 H44 Co2 N12 O28 -","2","1","","Li, Quan-Quan; Zhang, Wen-Qian; Ren, Chun-Yan; Fan, Yan-Ping; Li, Jian-Li; Liu, Ping; Wang, Yao-Yu","Reaction-determined assemblies of 0D to 3D complexes: structural diversities and luminescence properties","CrystEngComm","2016","18","19","3358","","10.1039/C6CE00273K","","","0.71073","MoKα","","0.1228","0.0786","","","0.2095","0.3123","","","","","","0.97","","","","has coordinates","185297","2020-10-21","18:00:00",""
"7224565","13.23","0.002","14.587","0.003","15.124","0.003","90","","98.618","0.003","90","","2885.8","0.9","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H14 N4 O12 Zn2 -","- C28 H14 N4 O12 Zn2 -","- C112 H56 N16 O48 Zn8 -","4","1","","Li, Quan-Quan; Zhang, Wen-Qian; Ren, Chun-Yan; Fan, Yan-Ping; Li, Jian-Li; Liu, Ping; Wang, Yao-Yu","Reaction-determined assemblies of 0D to 3D complexes: structural diversities and luminescence properties","CrystEngComm","2016","18","19","3358","","10.1039/C6CE00273K","","","0.71073","MoKα","","0.0954","0.0826","","","0.2185","0.2311","","","","","","1.054","","","","has coordinates,has disorder","185297","2020-10-21","18:00:00",""
"7224566","9.9263","0.0003","15.4568","0.0005","12.4445","0.0004","90","","96.737","0.003","90","","1896.16","0.1","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C20 H21 N5 O4 -","- C20 H21 N5 O4 -","- C80 H84 N20 O16 -","4","1","","Zhang, Xiaofeng; Zhi, Sanjun; Wang, Wei; Liu, Shuai; Jasinski, Jerry P.; Zhang, Wei","A pot-economical and diastereoselective synthesis involving catalyst-free click reaction for fused-triazolobenzodiazepines","Green Chem.","2016","18","9","2642","","10.1039/C6GC00497K","","","1.54184","CuKα","","0.0457","0.0416","","","0.1093","0.1141","","","","","","1.043","","","","has coordinates","182767","2020-10-21","18:00:00",""
"7224567","6.477","0.0005","10.584","0.0011","12.778","0.0014","85.883","0.005","86.565","0.006","75.6","0.006","845.45","0.15","200","2","200","2","","","","","","","","6","P -1","-P 1","2","Ofer10","semiaza-glycoluril","","- C12 H20 F3 N5 O4 S -","- C12 H20 F3 N5 O4 S -","- C24 H40 F6 N10 O8 S2 -","2","1","","Solel, Ephrath; Singh, Mandeep; Reany, Ofer; Keinan, Ehud","Enhanced anion binding by heteroatom replacement in bambusurils.","Physical chemistry chemical physics : PCCP","2016","18","19","13180","13185","10.1039/c6cp00442c","","","0.71073","MoKα","","0.0892","0.0834","","","0.2142","0.224","","","","","","1.208","","","","has coordinates","183796","2020-10-21","18:00:00",""
"7224568","6.563","0.0001","14.3405","0.0003","15.7391","0.0004","90","","94.225","0.001","90","","1477.29","0.05","110","2","110","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","N-methyl iminium glycoluril triflate salt","aza-glycoluril","","- C10 H18 F3 N5 O4 S -","- C10 H18 F3 N5 O4 S -","- C40 H72 F12 N20 O16 S4 -","4","1","","Solel, Ephrath; Singh, Mandeep; Reany, Ofer; Keinan, Ehud","Enhanced anion binding by heteroatom replacement in bambusurils.","Physical chemistry chemical physics : PCCP","2016","18","19","13180","13185","10.1039/c6cp00442c","","","0.71073","MoKα","","0.0307","0.0289","","","0.0743","0.0756","","","","","","1.046","","","","has coordinates","211332","2020-10-21","18:00:00",""
"7224569","10.389","0.003","10.393","0.003","11.05","0.003","84.703","0.004","67.159","0.004","82.242","0.004","1088.4","0.5","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C20 H29 F6 O P Ru -","- C20 H29 F6 O P Ru -","- C40 H58 F12 O2 P2 Ru2 -","2","1","","Higashi, Tomomi; Ueda, Takahiro; Mochida, Tomoyuki","Effects of substituent branching and chirality on the physical properties of ionic liquids based on cationic ruthenium sandwich complexes.","Physical chemistry chemical physics : PCCP","2016","18","15","10041","10048","10.1039/c6cp00643d","","","0.71073","MoKα","","0.0292","0.0256","","","0.0579","0.0597","","","","","","1.06","","","","has coordinates","182796","2020-10-21","18:00:00",""
"7224570","7.928","0.003","9.542","0.004","16.403","0.006","98.073","0.005","101.571","0.004","103.61","0.004","1158.3","0.8","100","","100","","","","","","","","","7","P -1","-P 1","2","","","","- C20 H29 F2 N O5 Ru S2 -","- C20 H29 F2 N O5 Ru S2 -","- C40 H58 F4 N2 O10 Ru2 S4 -","2","1","","Higashi, Tomomi; Ueda, Takahiro; Mochida, Tomoyuki","Effects of substituent branching and chirality on the physical properties of ionic liquids based on cationic ruthenium sandwich complexes.","Physical chemistry chemical physics : PCCP","2016","18","15","10041","10048","10.1039/c6cp00643d","","","0.71073","MoKα","","0.061","0.0577","","","0.1556","0.1629","","","","","","1.114","","","","has coordinates","204137","2020-10-21","18:00:00",""
"7224571","7.24","0.0009","18.137","0.002","18.786","0.002","114.703","0.001","94.018","0.002","97.896","0.002","2197.4","0.4","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C20 H29 F6 O P Ru -","- C20 H29 F6 O P Ru -","- C80 H116 F24 O4 P4 Ru4 -","4","2","","Higashi, Tomomi; Ueda, Takahiro; Mochida, Tomoyuki","Effects of substituent branching and chirality on the physical properties of ionic liquids based on cationic ruthenium sandwich complexes.","Physical chemistry chemical physics : PCCP","2016","18","15","10041","10048","10.1039/c6cp00643d","","","0.71073","MoKα","","0.0286","0.0258","","","0.0656","0.0679","","","","","","1.038","","","","has coordinates,has disorder","182796","2020-10-21","18:00:00",""
"7224572","4.7283","0.0004","5.7208","0.0004","5.0331","0.0005","90","","90","","90","","136.14","0.02","293","","293","","","","","","","","","3","P b c n","-P 2n 2ab","60","","","","- Nb2.667 O8 Zn1.333 -","- Nb2.6668 O8 Zn1.3332 -","- Nb2.6668 O8 Zn1.3332 -","1","0.125","","Zhao, Dan; Ma, Fa-Xue; Zhang, Rui-Juan; Li, Fei-Fei; Zhang, Lei; Yang, Juan; Fan, Yun-Chang; Xin, Xia","Structure modulation, band structure, density of states and luminescent properties of columbite-type ZnNb2O6","CrystEngComm","2016","18","16","2929","","10.1039/C5CE01828E","","x-ray","0.71073","MoKα","","0.0188","0.0151","","","0.0136","0.015","","","","1.18","1.18","1.17","","","","has coordinates","182652","2020-10-21","18:00:00",""
"7224573","8.044","0.002","9.357","0.002","9.822","0.002","111.23","0.002","107.301","0.002","104.268","0.002","603.6","0.2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C6 H34 Cu N4 O20 S4 -","- C6 H34 Cu N4 O20 S4 -","- C6 H34 Cu N4 O20 S4 -","1","0.5","","Chen, Chun-Hong; Mu, Rong; Zhang, Li; Xu, Guan-Cheng","Synthesis, crystal structure and disorder‒order phase transition of a new diamine templated metal sulfate, (C3H12N2)2[Cu(H2O)4(SO4)2](HSO4)2","CrystEngComm","2016","18","15","2719","","10.1039/C5CE02442K","","","0.71073","MoKα","","0.0324","0.0321","","","0.0901","0.0904","","","","","","1.085","","","","has coordinates,has disorder","182640","2020-10-21","18:00:00",""
"7224574","10.649","0.004","10.677","0.004","10.799","0.004","94.771","0.004","100.757","0.004","95.748","0.004","1193.7","0.8","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C6 H34 Cu N4 O20 S4 -","- C6 H34 Cu N4 O20 S4 -","- C12 H68 Cu2 N8 O40 S8 -","2","1","","Chen, Chun-Hong; Mu, Rong; Zhang, Li; Xu, Guan-Cheng","Synthesis, crystal structure and disorder‒order phase transition of a new diamine templated metal sulfate, (C3H12N2)2[Cu(H2O)4(SO4)2](HSO4)2","CrystEngComm","2016","18","15","2719","","10.1039/C5CE02442K","","","0.71073","MoKα","","0.0276","0.0261","","","0.0764","0.0786","","","","","","1.032","","","","has coordinates","182640","2020-10-21","18:00:00",""
"7224575","13.7632","0.0003","7.3472","0.0002","18.3748","0.0004","90","","107.385","0.002","90","","1773.2","0.08","130","2","130","2","","","","","","","","5","P 1 21 1","P 2yb","4","dipropylammonium D-(+)-10-camphorsulfonate","","","- C16 H31 N O4 S -","- C16 H31 N O4 S -","- C64 H124 N4 O16 S4 -","4","2","","Zhou, Yuelan; Chen, Tianliang; Sun, Zhihua; Zhang, Shuquan; Zhao, Sangen; Ji, Chengmin; Song, Cheng; Luo, Junhua","Reversible phase transition triggered by order‒disorder transformations and distortions in dipropylammoniumd-(+)-10-camphorsulfonate","CrystEngComm","2016","18","16","2852","","10.1039/C6CE00237D","","","1.54178","CuKα","","0.0354","0.0292","","","0.0795","0.0857","","","","","","0.992","","","","has coordinates","182655","2020-10-21","18:00:00",""
"7224576","9.3694","0.0003","7.3823","0.0002","13.8573","0.0004","90","","105.537","0.003","90","","923.45","0.05","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","dipropylammonium D-(+)-10-camphorsulfonate","","","- C16 H31 N O4 S -","- C16 H31 N O4 S -","- C32 H62 N2 O8 S2 -","2","1","","Zhou, Yuelan; Chen, Tianliang; Sun, Zhihua; Zhang, Shuquan; Zhao, Sangen; Ji, Chengmin; Song, Cheng; Luo, Junhua","Reversible phase transition triggered by order‒disorder transformations and distortions in dipropylammoniumd-(+)-10-camphorsulfonate","CrystEngComm","2016","18","16","2852","","10.1039/C6CE00237D","","","0.71073","MoKα","","0.0547","0.0481","","","0.13","0.1372","","","","","","1.043","","","","has coordinates,has disorder","182655","2020-10-21","18:00:00",""
"7224577","7.853","0.0012","8.1074","0.0013","9.729","0.0015","90","","105.589","0.006","90","","596.63","0.16","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C6 H14 N8 Ni O2 -","- C6 H14 N8 Ni O2 -","- C12 H28 N16 Ni2 O4 -","2","0.5","","Ribeiro, Ana; Karabach, Yauhen Yu.; Martins, Luísa Margarida; Mahmoud, Abdallah G.; Guedes da Silva, M. Fátima C.; Pombeiro, Armando J. L.","Nickel(II)-2-amino-4-alkoxy-1,3,5-triazapentadienate complexes as catalysts for Heck and Henry reactions","RSC Adv.","2016","","","","","10.1039/C6RA02989B","","","0.71073","MoKα","","0.0372","0.0251","","","0.0593","0.0632","","","","","","1.051","","","","has coordinates","178138","2020-10-21","18:00:00",""
"7224578","17.4047","0.001","8.4499","0.0005","9.8847","0.0005","90","","108.668","0.002","90","","1377.24","0.13","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C8 H18 N8 Ni O2 -","- C8 H18 N8 Ni O2 -","- C32 H72 N32 Ni4 O8 -","4","0.5","","Ribeiro, Ana; Karabach, Yauhen Yu.; Martins, Luísa Margarida; Mahmoud, Abdallah G.; Guedes da Silva, M. Fátima C.; Pombeiro, Armando J. L.","Nickel(II)-2-amino-4-alkoxy-1,3,5-triazapentadienate complexes as catalysts for Heck and Henry reactions","RSC Adv.","2016","","","","","10.1039/C6RA02989B","","","0.71069","MoKα","","0.0522","0.0358","","","0.0859","0.0917","","","","","","0.984","","","","has coordinates","178138","2020-10-21","18:00:00",""
"7224579","18.8071","0.0011","17.3656","0.001","21.0146","0.0012","90","","90","","90","","6863.3","0.7","150","2","150","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C44 H60 Cu2 F24 O29 Ti4 -","- C44 H60 Cu2 F24 O29 Ti4 -","- C176 H240 Cu8 F96 O116 Ti16 -","4","0.5","","Mazhar, Muhammad; Ehsan, Muhammad Ali; Naeem, Rabia; McKee, Vickie; Abbas, Hakeem; Pandikumar, Alagarsamy; Ming, Huang Nay","Electrochemical Sensing of Nitrite using Copper-Titanium Oxide Composite Derived from Hexanuclear Complex","RSC Adv.","2016","","","","","10.1039/C6RA00104A","","","0.71073","MoKα","","0.1247","0.0673","","","0.1772","0.2173","","","","","","1.015","","","","has coordinates,has disorder","178139","2020-10-21","18:00:00",""
"7224580","9.984","0.0013","12.9333","0.0014","13.6529","0.0018","117.42","0.007","99.869","0.013","96.128","0.01","1506.6","0.4","113","2","113","2","","","","","","","","5","P -1","-P 1","2","","","","- C34 H32 N4 O4 S -","- C34 H32 N4 O4 S -","- C68 H64 N8 O8 S2 -","2","1","","Zhao, Hongwu; Li, Bo; Tian, Ting; song, xiuqing; Pang, Hai-Liang; Chen, Xiao-Qin; Yang, Zhao; Meng, Wei","Facile construction of novel imidazolidine-spirooxindoles via diastereoselective cycloaddition of N-acylhydrazine-derived imines with 3-isothiocyanato oxindoles","RSC Adv.","2016","","","","","10.1039/C6RA01962E","","","0.71073","MoKα","","0.0386","0.0326","","","0.0828","0.0864","","","","","","1.033","","","","has coordinates","178140","2020-10-21","18:00:00",""
"7224581","5.937","0.0003","5.9425","0.0003","10.0505","0.0007","105.428","0.004","101.284","0.004","99.757","0.003","325.87","0.03","140","2","140","2","","","","","","","","4","P 1","P 1","1","","","","- C15 H18 N O3 -","- C15 H17 N O3 -","- C15 H17 N O3 -","1","1","","Zhang, Ya-Fei; Yin, Shao-Jie; Zhao, Min; Zhang, Jun-Qi; Li, Hai-Yan; Wang, Xingwang","Dinuclear Zinc Catalyzed Desymmetric Intramolecular Aldolization: An Enantioselective Construction of Spiro[Cyclohexanone-Oxindole] Derivatives","RSC Adv.","2016","","","","","10.1039/C6RA02296K","","","1.54178","CuKα","","0.0509","0.0508","","","0.1544","0.1544","","","","","","1.156","","","","has coordinates","178141","2020-10-21","18:00:00",""
"7224582","10.2312","0.001","11.0797","0.0012","16.1049","0.001","95.135","0.007","92.045","0.006","113.333","0.01","1664.5","0.3","294","2","294","2","","","","","","","","5","P -1","-P 1","2","","","","- C33 H31 Mg1.5 N2 O12 -","- C33 H31 Mg1.5 N2 O12 -","- C66 H62 Mg3 N4 O24 -","2","1","","Wang, Xi; Hu, Min; Tian, Jia-Yue; Liu, Chun-Sen","Structural diversification and single-crystal-to-single-crystal transformation of alkaline earth metal-based MOFs regulated by solvent effect","CrystEngComm","2016","18","16","2864","","10.1039/C6CE00552G","","","0.71073","MoKα","","0.0744","0.0514","","","0.1158","0.1292","","","","","","1.016","","","","has coordinates","182649","2020-10-21","18:00:00",""
"7224583","11.6875","0.0012","12.7337","0.001","16.6287","0.0007","107.084","0.006","106.16","0.007","98.287","0.008","2202.3","0.3","294","2","294","2","","","","","","","","5","P -1","-P 1","2","","","","- C35 H33 Mg1.5 N2 O11 -","- C35 H33 Mg1.5 N2 O11 -","- C70 H66 Mg3 N4 O22 -","2","1","","Wang, Xi; Hu, Min; Tian, Jia-Yue; Liu, Chun-Sen","Structural diversification and single-crystal-to-single-crystal transformation of alkaline earth metal-based MOFs regulated by solvent effect","CrystEngComm","2016","18","16","2864","","10.1039/C6CE00552G","","","0.71073","MoKα","","0.0965","0.0671","","","0.1896","0.2108","","","","","","1.013","","","","has coordinates","182649","2020-10-21","18:00:00",""
"7224584","14.6854","0.0004","17.3507","0.0007","17.565","0.0008","71.291","0.004","75.262","0.003","66.322","0.003","3841.3","0.3","294","2","294","2","","","","","","","","5","P -1","-P 1","2","","","","- C72 H70 Ca2.5 N2 O21 -","- C72 H70 Ca2.5 N2 O21 -","- C144 H140 Ca5 N4 O42 -","2","1","","Wang, Xi; Hu, Min; Tian, Jia-Yue; Liu, Chun-Sen","Structural diversification and single-crystal-to-single-crystal transformation of alkaline earth metal-based MOFs regulated by solvent effect","CrystEngComm","2016","18","16","2864","","10.1039/C6CE00552G","","","0.71073","MoKα","","0.0835","0.0555","","","0.1526","0.1678","","","","","","1.028","","","","has coordinates","182649","2020-10-21","18:00:00",""
"7224585","16.1122","0.0008","19.1301","0.0006","19.9491","0.0006","113.359","0.003","103.862","0.004","91.934","0.003","5423","0.4","294","2","294","2","","","","","","","","5","P -1","-P 1","2","","","","- C78 H85 Ca3 N3 O23 -","- C78 H85 Ca3 N3 O23 -","- C156 H170 Ca6 N6 O46 -","2","1","","Wang, Xi; Hu, Min; Tian, Jia-Yue; Liu, Chun-Sen","Structural diversification and single-crystal-to-single-crystal transformation of alkaline earth metal-based MOFs regulated by solvent effect","CrystEngComm","2016","18","16","2864","","10.1039/C6CE00552G","","","0.71073","MoKα","","0.1331","0.0889","","","0.2663","0.3045","","","","","","1.004","","","","has coordinates,has disorder","182649","2020-10-21","18:00:00",""
"7224586","7.9089","0.0004","11.4057","0.0006","12.6968","0.0006","65.743","0.002","77.931","0.002","85.251","0.002","1021.13","0.09","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","1","","- C21 H16 N2 O6 Pb S -","- C21 H16 N2 O6 Pb S -","- C42 H32 N4 O12 Pb2 S2 -","2","1","","Ju, Huiyeong; Lee, Eunji; Kim, Seulgi; Park, In-Hyeok; Lee, Joon-Hwa; Lee, Shim Sung","Cation-directed assembly of polyrotaxane and polycatenane","CrystEngComm","2016","18","15","2621","","10.1039/C6CE00551A","","","0.71073","MoKα","","0.0175","0.0167","","","0.0407","0.041","","","","","","1.067","","","","has coordinates","182641","2020-10-21","18:00:00",""
"7224587","47.233","0.006","11.4571","0.0017","25.455","0.004","90","","119.856","0.007","90","","11947","3","173","2","173","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","2","","- C62 H62 N10 O14 S2 Zn2 -","- C62 H62 N10 O14 S2 Zn2 -","- C496 H496 N80 O112 S16 Zn16 -","8","1","","Ju, Huiyeong; Lee, Eunji; Kim, Seulgi; Park, In-Hyeok; Lee, Joon-Hwa; Lee, Shim Sung","Cation-directed assembly of polyrotaxane and polycatenane","CrystEngComm","2016","18","15","2621","","10.1039/C6CE00551A","","","0.71073","MoKα","","0.1626","0.111","","","0.2781","0.3087","","","","","","1.089","","","","has coordinates","182641","2020-10-21","18:00:00",""
"7224588","21.368","0.0011","14.5156","0.0009","18.5708","0.0009","90","","105.412","0.005","90","","5553","0.5","173","","173","","","","","","","","","8","C 1 2/c 1","-C 2yc","15","Cp1","","","- C58 H48 Cl2 Cu2 N6 O2 P2 S2 -","- C58 H48 Cl2 Cu2 N6 O2 P2 S2 -","- C232 H192 Cl8 Cu8 N24 O8 P8 S8 -","4","0.5","","Gholivand, Khodayar; Farshadfer, Kaveh; Roe, S. Mark; Gholami, Akram; Esrafili, Mehdi D.","Structural and photophysical characterization of mono- and binuclear Cu(i) complexes based on carbohydrazones: a combined experimental and computational study","CrystEngComm","2016","18","16","2873","","10.1039/C5CE02208H","","x-ray","0.71073","MoKα","","0.075","0.055","","","0.17","0.183","","","","","","1.117","","","","has coordinates","182656","2020-10-21","18:00:00",""
"7224589","14.862","0.0003","9.93191","0.00019","18.7016","0.0004","90","","99.793","0.002","90","","2720.28","0.1","173","","173","","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","CuCl 542","","- C29 H24 Cl Cu N3 O P S -","- C29 H24 Cl Cu N3 O P S -","- C116 H96 Cl4 Cu4 N12 O4 P4 S4 -","4","1","","Gholivand, Khodayar; Farshadfer, Kaveh; Roe, S. Mark; Gholami, Akram; Esrafili, Mehdi D.","Structural and photophysical characterization of mono- and binuclear Cu(i) complexes based on carbohydrazones: a combined experimental and computational study","CrystEngComm","2016","18","16","2873","","10.1039/C5CE02208H","","x-ray","1.54184","CuKα","","0.0669","0.0378","","","0.0852","0.1325","","","","","","1.142","","","","has coordinates","182656","2020-10-21","18:00:00",""
"7224590","8.6008","0.0002","11.9216","0.0004","13.5031","0.0004","98.28","0.003","90.093","0.002","94.468","0.002","1365.83","0.07","173","","173","","","","","","","","","8","P -1","-P 1","2","","CuCl 556","","- C58 H48 Cl2 Cu2 N6 O2 P2 S2 -","- C58 H48 Cl2 Cu2 N6 O2 P2 S2 -","- C58 H48 Cl2 Cu2 N6 O2 P2 S2 -","1","0.5","","Gholivand, Khodayar; Farshadfer, Kaveh; Roe, S. Mark; Gholami, Akram; Esrafili, Mehdi D.","Structural and photophysical characterization of mono- and binuclear Cu(i) complexes based on carbohydrazones: a combined experimental and computational study","CrystEngComm","2016","18","16","2873","","10.1039/C5CE02208H","","x-ray","1.54184","CuKα","","0.032","0.0279","","","0.0731","0.0758","","","","","","1.045","","","","has coordinates","182656","2020-10-21","18:00:00",""
"7224591","8.6337","0.0006","13.7145","0.001","14.4014","0.0012","70.112","0.007","83.697","0.006","71.99","0.006","1524.9","0.2","173","","173","","","","","","","","","8","P -1","-P 1","2","Cp3","","","- C62 H54 Cu2 I2 N8 O2 P2 S2 -","- C62 H54 Cu2 I2 N8 O2 P2 S2 -","- C62 H54 Cu2 I2 N8 O2 P2 S2 -","1","0.5","","Gholivand, Khodayar; Farshadfer, Kaveh; Roe, S. Mark; Gholami, Akram; Esrafili, Mehdi D.","Structural and photophysical characterization of mono- and binuclear Cu(i) complexes based on carbohydrazones: a combined experimental and computational study","CrystEngComm","2016","18","16","2873","","10.1039/C5CE02208H","","x-ray","1.54184","CuKα","","0.0517","0.0427","","","0.1074","0.114","","","","","","0.998","","","","has coordinates","182656","2020-10-21","18:00:00",""
"7224592","8.5296","0.0009","13.6245","0.0018","14.4843","0.0017","69.313","0.011","83.252","0.009","72.076","0.01","1498.2","0.3","173","","173","","","","","","","","","8","P -1","-P 1","2","Cp2","","","- C62 H54 Br2 Cu2 N8 O2 P2 S2 -","- C62 H54 Br2 Cu2 N8 O2 P2 S2 -","- C62 H54 Br2 Cu2 N8 O2 P2 S2 -","1","0.5","","Gholivand, Khodayar; Farshadfer, Kaveh; Roe, S. Mark; Gholami, Akram; Esrafili, Mehdi D.","Structural and photophysical characterization of mono- and binuclear Cu(i) complexes based on carbohydrazones: a combined experimental and computational study","CrystEngComm","2016","18","16","2873","","10.1039/C5CE02208H","","x-ray","1.54184","CuKα","","0.0994","0.0653","","","0.1665","0.1845","","","","","","1.088","","","","has coordinates","182656","2020-10-21","18:00:00",""
"7224593","8.747","0.004","11.406","0.005","16.58","0.006","80.72","0.03","85.21","0.03","85.46","0.04","1623.2","1.2","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C19 H16 F N O4 -","- C19 H16 F N O4 -","- C76 H64 F4 N4 O16 -","4","2","","Ahankar, Hamideh; Ramazani, Ali; Ślepokura, Katarzyna; Lis, Tadeusz; Joo, Sang Woo","Synthesis of pyrrolidinone derivatives from aniline, an aldehyde and diethyl acetylenedicarboxylate in an ethanolic citric acid solution under ultrasound irradiation","Green Chem.","2016","18","12","3582","","10.1039/C6GC00157B","","","0.71073","MoKα","","0.1212","0.0678","","","0.1539","0.1707","","","","","","1.004","","","","has coordinates","183712","2020-10-21","18:00:00",""
"7224594","10.2273","0.0006","10.6788","0.0007","11.1734","0.0007","90","","90","","90","","1220.31","0.13","200","2","200","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C13 H15 N5 -","- C13 H15 N5 -","- C52 H60 N20 -","4","1","","Afraj, Shakil N.; Chen, Chinpiao; Lee, Gene-Hsiang","Synthesis of Decahydropyrrolo[1,2-a]tetrazolo[1, 5-d]pyrazines via Strecker Reaction and Intramolecular [3+2] Cycloaddition","RSC Adv.","2016","","","","","10.1039/C6RA00063K","","","0.71073","MoKα","","0.0463","0.041","","","0.0931","0.0959","","","","","","1.049","","","","has coordinates","178163","2020-10-21","18:00:00",""
"7224595","7.1934","0.0005","7.5432","0.0005","11.4096","0.0008","94.723","0.006","103.384","0.006","91.985","0.006","599.32","0.07","130.01","0.1","130.01","0.1","","","","","","","","7","P -1","-P 1","2","","","","- C20 H22 Cl2 N2 O6 Pd S2 -","- C20 H22 Cl2 N2 O6 Pd S2 -","- C20 H22 Cl2 N2 O6 Pd S2 -","1","0.5","","Sabounchei, S. J.; Ahmadianpoor, Mahmood; Yousefi, Abed; Hashemi, Ali; Bayat, Mehdi; Sedghi, Asieh; Akhlaghi Bagherjeri, Fateme; W. Gable, Robert","New Pd(II) Complexes of Sulfur Ylide; Synthesis, X-ray Characterization, Theoretical Study and Catalytic Activity toward Mizoroki-Heck Reaction","RSC Adv.","2016","","","","","10.1039/C6RA01390B","","x-ray","1.54184","CuKα","","0.0532","0.0475","","","0.1268","0.1331","","","","","","1.09","","","","has coordinates","178164","2020-10-21","18:00:00",""
"7224596","9.555","0.003","11.21","0.003","15.335","0.004","108.324","0.003","97.068","0.004","105.848","0.004","1460.2","0.7","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","N1-(2-carboxyphenyl)-N2-(4-bromophenyl)oxalamide","","- C15 H11 Br N2 O4 -","- C15 H11 Br N2 O4 -","- C60 H44 Br4 N8 O16 -","4","2","","Mamedov, Vakhid A.; Mamedova, Vera L.; Khikmatova, Gul’nas Z.; Mironova, Ekaterina V.; Krivolapov, Dmitry; Bazanova, Olga B.; Chachkov, Denis V.; Katsyuba, Sergey; Rizvanov, Ildar Kh.; Latypov, Shamil Kamil'evich","A novel acid-catalyzed rearrangement of 2-substituted-3-(2-nitrophenyl)oxiranes for the synthesis of di- and mono-oxalamides","RSC Adv.","2016","","","","","10.1039/C6RA02586B","","x-ray","0.71073","MoKα","","0.056","0.0381","","","0.1162","0.1332","","","","","","0.88","","","","has coordinates","182221","2020-10-21","18:00:00",""
"7224597","15.397","0.015","4.991","0.005","20.26","0.02","90","","97.672","0.013","90","","1543","3","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","N1-(2-carboxyphenyl)-N2-phenyloxalamide","","- C17 H16 N2 O6 -","- C17 H16 N2 O6 -","- C68 H64 N8 O24 -","4","1","","Mamedov, Vakhid A.; Mamedova, Vera L.; Khikmatova, Gul’nas Z.; Mironova, Ekaterina V.; Krivolapov, Dmitry; Bazanova, Olga B.; Chachkov, Denis V.; Katsyuba, Sergey; Rizvanov, Ildar Kh.; Latypov, Shamil Kamil'evich","A novel acid-catalyzed rearrangement of 2-substituted-3-(2-nitrophenyl)oxiranes for the synthesis of di- and mono-oxalamides","RSC Adv.","2016","","","","","10.1039/C6RA02586B","","x-ray","0.71073","MoKα","","0.0812","0.0508","","","0.1286","0.1485","","","","","","1.045","","","","has coordinates","178165","2020-10-21","18:00:00",""
"7224598","7.5627","0.0006","11.8111","0.0011","16.3455","0.0015","90","","96.024","0.002","90","","1452","0.2","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C8 H16 O5 Se Sn2 -","- C8 H16 O5 Se Sn2 -","- C32 H64 O20 Se4 Sn8 -","4","1","","Li, Qianli; Cheng, Shuang; Zhang, Rufen; Shi, Yang; ma, chunlin","Novel organotin complexes derive from 2, 2´-selenodiacetic acid： synthesis, and biological evaluation","RSC Adv.","2016","","","","","10.1039/C6RA01948J","","","0.71073","MoKα","","0.0343","0.026","","","0.0627","0.0664","","","","","","1.02","","","","has coordinates","178167","2020-10-21","18:00:00",""
"7224599","16.7533","0.0018","29.152","0.003","31.755","0.003","90","","90","","90","","15509","3","298","2","298","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C56 H116 O8 Se2 Sn4 -","- C56 H114 O8 Se2 Sn4 -","- C448 H912 O64 Se16 Sn32 -","8","1","","Li, Qianli; Cheng, Shuang; Zhang, Rufen; Shi, Yang; ma, chunlin","Novel organotin complexes derive from 2, 2´-selenodiacetic acid： synthesis, and biological evaluation","RSC Adv.","2016","","","","","10.1039/C6RA01948J","","","0.71073","MoKα","","0.2797","0.091","","","0.1939","0.2243","","","","","","1.132","","","","has coordinates","178167","2020-10-21","18:00:00",""
"7224600","14.2606","0.0012","25.221","0.002","10.0413","0.0008","90","","105.678","0.002","90","","3477.2","0.5","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H44 O8 Se2 Sn2 -","- C24 H42 O8 Se2 Sn2 -","- C96 H168 O32 Se8 Sn8 -","4","1","","Li, Qianli; Cheng, Shuang; Zhang, Rufen; Shi, Yang; ma, chunlin","Novel organotin complexes derive from 2, 2´-selenodiacetic acid： synthesis, and biological evaluation","RSC Adv.","2016","","","","","10.1039/C6RA01948J","","","0.71073","MoKα","","0.2796","0.0995","","","0.1428","0.178","","","","","","0.87","","","","has coordinates","178167","2020-10-21","18:00:00",""
"7224601","8.2944","0.0006","10.0429","0.0007","11.4961","0.0009","99.026","0.002","100.06","0.002","111.211","0.003","853.38","0.11","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C10 H22 O4 Se Sn2 -","- C10 H22 O4 Se Sn2 -","- C20 H44 O8 Se2 Sn4 -","2","1","","Li, Qianli; Cheng, Shuang; Zhang, Rufen; Shi, Yang; ma, chunlin","Novel organotin complexes derive from 2, 2´-selenodiacetic acid： synthesis, and biological evaluation","RSC Adv.","2016","","","","","10.1039/C6RA01948J","","","0.71073","MoKα","","0.0976","0.0826","","","0.2723","0.278","","","","","","1.152","","","","has coordinates","178167","2020-10-21","18:00:00",""
"7224602","32.871","0.002","32.871","0.002","24.1978","0.0015","90","","90","","120","","22643","2","293","2","293","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- C52 H54 N10 O8 -","- C52 H54 N10 O8 -","- C936 H972 N180 O144 -","18","1","","Xu, Hui; Qian, Fang-Jun; Wu, Qiao Xia; Xue, Min; Yang, Yong; Chen, Yong-Xiang","Azacalix[2]arene[2]carbazoles: Synthesis, Structure and Properties","RSC Adv.","2016","","","","","10.1039/C6RA01197G","","","1.54184","CuKα","","0.1982","0.1359","","","0.4018","0.4422","","","","","","1.345","","","","has coordinates","178168","2020-10-21","18:00:00",""
"7224603","10.2549","0.0012","11.3783","0.0013","16.1872","0.0018","72.094","0.003","76.795","0.003","86.411","0.003","1749.7","0.3","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C80 H54 N4 O18 Si2 Zn3 -","- C80 H50 N4 O16.914 Si2 Zn3 -","- C80 H50 N4 O16.914 Si2 Zn3 -","1","0.5","","Gao, Chao-Ying; Wang, Dan; Li, Jian-Ping; Wang, Yuan; Yang, Weiting","Assemblies of metal‒organic frameworks based on a tetrapodal linker for luminescence sensing of tetrahydrofuran","CrystEngComm","2016","18","16","2857","","10.1039/C6CE00169F","","","0.71073","MoKα","","0.1102","0.0656","","","0.1625","0.1907","","","","","","0.98","","","","has coordinates","182648","2020-10-21","18:00:00",""
"7224604","16.1582","0.0011","15.99","0.001","16.2334","0.001","90","","90.681","0.002","90","","4193.9","0.5","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C37 H23 N3 Ni2 O15 Si -","- C37 H23 N3 Ni2 O15.296 Si -","- C148 H92 N12 Ni8 O61.184 Si4 -","4","1","","Gao, Chao-Ying; Wang, Dan; Li, Jian-Ping; Wang, Yuan; Yang, Weiting","Assemblies of metal‒organic frameworks based on a tetrapodal linker for luminescence sensing of tetrahydrofuran","CrystEngComm","2016","18","16","2857","","10.1039/C6CE00169F","","","0.71073","MoKα","","0.0679","0.0524","","","0.1604","0.175","","","","","","0.955","","","","has coordinates","182648","2020-10-21","18:00:00",""
"7224605","10.4707","0.0009","24.487","0.002","17.3547","0.0016","90","","91.331","0.002","90","","4448.5","0.7","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C31 H23 Co2 N O13 Si -","- C31 H23 Co2 N O13 Si -","- C124 H92 Co8 N4 O52 Si4 -","4","1","","Gao, Chao-Ying; Wang, Dan; Li, Jian-Ping; Wang, Yuan; Yang, Weiting","Assemblies of metal‒organic frameworks based on a tetrapodal linker for luminescence sensing of tetrahydrofuran","CrystEngComm","2016","18","16","2857","","10.1039/C6CE00169F","","","0.71073","MoKα","","0.0745","0.0501","","","0.1282","0.1376","","","","","","0.96","","","","has coordinates","182648","2020-10-21","18:00:00",""
"7224606","12.2029","0.0013","13.6985","0.0016","14.853","0.0017","104.571","0.002","107.562","0.002","102.41","0.002","2174.2","0.4","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C43 H24 Co2 N3 O11.5 Si -","- C43 H24 Co2 N3 O11.5 Si -","- C86 H48 Co4 N6 O23 Si2 -","2","1","","Gao, Chao-Ying; Wang, Dan; Li, Jian-Ping; Wang, Yuan; Yang, Weiting","Assemblies of metal‒organic frameworks based on a tetrapodal linker for luminescence sensing of tetrahydrofuran","CrystEngComm","2016","18","16","2857","","10.1039/C6CE00169F","","","0.71073","MoKα","","0.1022","0.0736","","","0.228","0.255","","","","","","1.055","","","","has coordinates","182648","2020-10-21","18:00:00",""
"7224607","16.5492","0.0019","14.8523","0.0015","17.7313","0.0018","90","","112.758","0.002","90","","4018.9","0.7","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C36 H27 N3 O10 Si Zn2 -","- C36 H27 N3 O10 Si Zn2 -","- C144 H108 N12 O40 Si4 Zn8 -","4","1","","Gao, Chao-Ying; Wang, Dan; Li, Jian-Ping; Wang, Yuan; Yang, Weiting","Assemblies of metal‒organic frameworks based on a tetrapodal linker for luminescence sensing of tetrahydrofuran","CrystEngComm","2016","18","16","2857","","10.1039/C6CE00169F","","","0.71073","MoKα","","0.0866","0.064","","","0.2043","0.2227","","","","","","0.96","","","","has coordinates","182648","2020-10-21","18:00:00",""
"7224608","28.9402","0.0009","4.8707","0.0002","17.3118","0.0006","90","","107.785","0.002","90","","2323.63","0.15","105","","105","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C26 H32 N2 O4 -","- C26 H32 N2 O4 -","- C104 H128 N8 O16 -","4","0.5","","Fu, Chaoying; Bélanger-Gariépy, Francine; Perepichka, Dmitrii F.","Supramolecular ordering of difuryldiketopyrrolopyrrole: the effect of alkyl chains and inter-ring twisting","CrystEngComm","2016","18","23","4285","","10.1039/C6CE00383D","","x-ray","1.34139","GaKα","","0.0568","0.0528","","","0.1502","0.1521","","","","","","1.213","","","","has coordinates","185276","2020-10-21","18:00:00",""
"7224609","18.8248","0.001","4.6921","0.0003","21.4035","0.0011","90","","100.903","0.003","90","","1856.4","0.18","105","","105","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C42 H64 N2 O4 -","- C42 H64 N2 O4 -","- C84 H128 N4 O8 -","2","0.5","","Fu, Chaoying; Bélanger-Gariépy, Francine; Perepichka, Dmitrii F.","Supramolecular ordering of difuryldiketopyrrolopyrrole: the effect of alkyl chains and inter-ring twisting","CrystEngComm","2016","18","23","4285","","10.1039/C6CE00383D","","x-ray","1.34139","GaKα","","0.068","0.0446","","","0.11","0.1234","","","","","","1.013","","","","has coordinates","185276","2020-10-21","18:00:00",""
"7224610","10.5851","0.0004","10.7883","0.0005","12.8727","0.0008","73.878","0.002","67.677","0.002","81.16","0.002","1304.43","0.11","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","Poly[bis(mu4-2-diaminobenzene-1,4-dicarboxylato-kO:kO':kO'':kO''')(mu-2-diaminobenzene-1,4-dicarboxylato-k2O,O':k2O'',O''')tetra(dimethylformamide)didysprosium(III)]","","- C36 H46 Dy2 N10 O16 -","- C36 H46 Dy2 N10 O16 -","- C36 H46 Dy2 N10 O16 -","1","0.5","","Oyarzabal, Itziar; Fernández, Belén; Cepeda, Javier; Gómez-Ruiz, Santiago; Calahorro, Antonio J.; Seco, José M.; Rodríguez-Diéguez, Antonio","Slow relaxation of magnetization in 3D-MOFs based on dysprosium dinuclear entities bridged by dicarboxylic linkers","CrystEngComm","2016","18","17","3055","","10.1039/C6CE00318D","","","0.71073","MoKα","","0.0278","0.0234","","","0.0549","0.0559","","","","","","1.088","","","","has coordinates","182659","2020-10-21","18:00:00",""
"7224611","10.7673","0.0009","11.0209","0.001","13.0918","0.0011","105.064","0.002","94.854","0.003","93.847","0.003","1488.4","0.2","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","Poly[(mu-9,10-anthracenedicarboxylato-k2O,O':k2O'',O''')(mu4-9,10-anthracenedicarboxylato-kO:kO':kO'':kO''')(mu4-2-diaminobenzene-1,4-dicarboxylato-kO:kO':kO'':kO''')tetra(dimethylformamide)didysprosium(III)]","","- C52 H48 Dy2 N5 O16 -","- C52 H48 Dy2 N5 O16 -","- C52 H48 Dy2 N5 O16 -","1","0.5","","Oyarzabal, Itziar; Fernández, Belén; Cepeda, Javier; Gómez-Ruiz, Santiago; Calahorro, Antonio J.; Seco, José M.; Rodríguez-Diéguez, Antonio","Slow relaxation of magnetization in 3D-MOFs based on dysprosium dinuclear entities bridged by dicarboxylic linkers","CrystEngComm","2016","18","17","3055","","10.1039/C6CE00318D","","","0.71073","MoKα","","0.0783","0.0519","","","0.1016","0.1082","","","","","","1.021","","","","has coordinates","182659","2020-10-21","18:00:00",""
"7224612","24.5907","0.0008","17.8811","0.0008","25.0765","0.0009","90","","104.335","0.002","90","","10683","0.7","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Poly[(mu4-5-cyanide-1,3-dicarboxylato-kO:kO':kO'':kO''')bis(mu3-5-cyanide-1,3-dicarboxylato-kO:kO':k2O'',O''')tetra(dimethylformamide)didysprosium(III)]","","- C39 H37 Dy2 N7 O16 -","- C39 H37 Dy2 N7 O16 -","- C312 H296 Dy16 N56 O128 -","8","1","","Oyarzabal, Itziar; Fernández, Belén; Cepeda, Javier; Gómez-Ruiz, Santiago; Calahorro, Antonio J.; Seco, José M.; Rodríguez-Diéguez, Antonio","Slow relaxation of magnetization in 3D-MOFs based on dysprosium dinuclear entities bridged by dicarboxylic linkers","CrystEngComm","2016","18","17","3055","","10.1039/C6CE00318D","","","0.71073","MoKα","","0.0328","0.0251","","","0.0591","0.0614","","","","","","1.053","","","","has coordinates","182659","2020-10-21","18:00:00",""
"7224613","27.5538","0.0005","27.5538","0.0005","22.0582","0.0005","90","","90","","120","","14503.2","0.5","296","2","296","2","","","","","","","","8","P 63","P 6c","173","","","","- C36 H176 N9 Na9 O223 Se6 Sn6 W54 -","- C36 N9 Na3 O222 Se6 Sn6 W54 -","- C72 N18 Na6 O444 Se12 Sn12 W108 -","2","0.333333","","Chen, Wei-Chao; Qin, Chao; Wang, Xin-Long; Wu, Cai-Xia; Li, Yang-Guang; Zang, Hong-Ying; Shao, Kui-Zhan; Su, Zhong-Min; Wang, En-Bo","Trimeric hexa-dimethyltin-functionalized selenotungstate [{Sn(CH3)2(CH3COO)}3{Sn(CH3)2}3{Se2W18O62(OH)(H2O)}3]18−","CrystEngComm","2016","18","16","2820","","10.1039/C6CE00377J","","","0.71073","MoKα","","0.0426","0.0365","","","0.0877","0.0904","","","","","","1.016","","","","has coordinates","182651","2020-10-21","18:00:00",""
"7224614","7.7346","0.0007","14.8899","0.0013","23.801","0.002","90","","94.674","0.009","90","","2732","0.4","120","2","120","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Bis[1,4,8,9-tetraaza-triphenylene]-di[isothiocyanato]iron(II)","","- C30 H16 Fe N10 S2 -","- C30 H16 Fe N10 S2 -","- C120 H64 Fe4 N40 S8 -","4","0.5","","Kulmaczewski, Rafal; Halcrow, Malcolm A.","Structures and spin states of crystalline [Fe(NCS)2L2] and [FeL3]2+complexes (L = an annelated 1,10-phenanthroline derivative)","CrystEngComm","2016","18","14","2570","","10.1039/C6CE00163G","","","0.71073","MoKα","","0.085","0.0531","","","0.0963","0.1089","","","","","","1.054","","","","has coordinates,has disorder","181618","2020-10-21","18:00:00",""
"7224615","7.7581","0.0014","15.139","0.003","23.695","0.006","90","","93.796","0.018","90","","2776.9","1","290","2","290","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Bis[1,4,8,9-tetraaza-triphenylene]-di[isothiocyanato]iron(II)","","- C30 H16 Fe N10 S2 -","- C30 H16 Fe N10 S2 -","- C120 H64 Fe4 N40 S8 -","4","0.5","","Kulmaczewski, Rafal; Halcrow, Malcolm A.","Structures and spin states of crystalline [Fe(NCS)2L2] and [FeL3]2+complexes (L = an annelated 1,10-phenanthroline derivative)","CrystEngComm","2016","18","14","2570","","10.1039/C6CE00163G","","","0.71073","MoKα","","0.1048","0.0611","","","0.106","0.1217","","","","","","1.044","","","","has coordinates,has disorder","181618","2020-10-21","18:00:00",""
"7224616","7.9867","0.0004","14.6323","0.0006","28.1005","0.0015","90","","93.36","0.005","90","","3278.3","0.3","120","2","120","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Bis[iso-thiocyanato][dipyrido[3,2-a:23-c]phenazine]-iron(II)","","- C38 H20 Fe N10 S2 -","- C38 H20 Fe N10 S2 -","- C152 H80 Fe4 N40 S8 -","4","0.5","","Kulmaczewski, Rafal; Halcrow, Malcolm A.","Structures and spin states of crystalline [Fe(NCS)2L2] and [FeL3]2+complexes (L = an annelated 1,10-phenanthroline derivative)","CrystEngComm","2016","18","14","2570","","10.1039/C6CE00163G","","","1.54184","CuKα","","0.0709","0.0603","","","0.1497","0.1599","","","","","","1.066","","","","has coordinates","181618","2020-10-21","18:00:00",""
"7224617","8.0689","0.0004","14.7987","0.0006","28.0208","0.0012","90","","92.552","0.004","90","","3342.6","0.3","290","2","290","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Bis[iso-thiocyanato][dipyrido[3,2-a:23-c]phenazine]-iron(II)","","- C38 H20 Fe N10 S2 -","- C38 H20 Fe N10 S2 -","- C152 H80 Fe4 N40 S8 -","4","0.5","","Kulmaczewski, Rafal; Halcrow, Malcolm A.","Structures and spin states of crystalline [Fe(NCS)2L2] and [FeL3]2+complexes (L = an annelated 1,10-phenanthroline derivative)","CrystEngComm","2016","18","14","2570","","10.1039/C6CE00163G","","","1.54184","CuKα","","0.0745","0.0591","","","0.1481","0.1636","","","","","","1.04","","","","has coordinates,has disorder","181618","2020-10-21","18:00:00",""
"7224618","8.6431","0.0003","12.538","0.0005","16.8933","0.0007","100.234","0.003","97.965","0.003","101.09","0.003","1739.4","0.12","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","Bis[1,4,8,9-tetraaza-triphenylene]-di[isothiocyanato]iron(II)bis-(1,2-dichloroethane) solvate","","- C34 H24 Cl4 Fe N10 S2 -","- C34 H24 Cl4 Fe N10 S2 -","- C68 H48 Cl8 Fe2 N20 S4 -","2","1","","Kulmaczewski, Rafal; Halcrow, Malcolm A.","Structures and spin states of crystalline [Fe(NCS)2L2] and [FeL3]2+complexes (L = an annelated 1,10-phenanthroline derivative)","CrystEngComm","2016","18","14","2570","","10.1039/C6CE00163G","","","1.54184","CuKα","","0.0496","0.042","","","0.1074","0.1125","","","","","","1.037","","","","has coordinates,has disorder","181618","2020-10-21","18:00:00",""
"7224619","13.329","0.0009","16.1844","0.0009","17.3536","0.0008","90","","110.324","0.007","90","","3510.5","0.4","120","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Bis[1,4,8,9-tetraaza-triphenylene]-di[isothiocyanato]iron(II)di-pyridine solvate","","- C40 H26 Fe N12 S2 -","- C40 H26 Fe N12 S2 -","- C160 H104 Fe4 N48 S8 -","4","1","","Kulmaczewski, Rafal; Halcrow, Malcolm A.","Structures and spin states of crystalline [Fe(NCS)2L2] and [FeL3]2+complexes (L = an annelated 1,10-phenanthroline derivative)","CrystEngComm","2016","18","14","2570","","10.1039/C6CE00163G","","","1.54184","CuKα","","0.0462","0.0375","","","0.0896","0.0953","","","","","","1.018","","","","has coordinates,has disorder","181618","2020-10-21","18:00:00",""
"7224620","13.526","0.0006","16.3143","0.0006","17.8163","0.0008","90","","110.291","0.005","90","","3687.5","0.3","290","2","290","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Bis[1,4,8,9-tetraaza-triphenylene]-di[isothiocyanato]iron(II)di-pyridine solvate","","- C40 H26 Fe N12 S2 -","- C40 H26 Fe N12 S2 -","- C160 H104 Fe4 N48 S8 -","4","1","","Kulmaczewski, Rafal; Halcrow, Malcolm A.","Structures and spin states of crystalline [Fe(NCS)2L2] and [FeL3]2+complexes (L = an annelated 1,10-phenanthroline derivative)","CrystEngComm","2016","18","14","2570","","10.1039/C6CE00163G","","","1.54184","CuKα","","0.0733","0.0464","","","0.1117","0.128","","","","","","1.01","","","","has coordinates,has disorder","181618","2020-10-21","18:00:00",""
"7224621","24.6343","0.0009","21.2193","0.0004","18.1944","0.0005","90","","104.239","0.003","90","","9218.4","0.5","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Tris-[dipyrido[3,2-a:23-c]phenazine]iron(II) diperchlorate","","- C54 H30 Cl2 Fe N12 O8 -","- C54 H30 Cl2 Fe N12 O8 -","- C432 H240 Cl16 Fe8 N96 O64 -","8","2","","Kulmaczewski, Rafal; Halcrow, Malcolm A.","Structures and spin states of crystalline [Fe(NCS)2L2] and [FeL3]2+complexes (L = an annelated 1,10-phenanthroline derivative)","CrystEngComm","2016","18","14","2570","","10.1039/C6CE00163G","","","0.6998","synchrotron","","0.0856","0.0637","","","0.1646","0.1819","","","","","","1.024","","","","has coordinates,has disorder","181618","2020-10-21","18:00:00",""
"7224622","9.7973","0.0002","23.8139","0.0008","27.5891","0.0006","95.037","0.002","98.452","0.002","93.612","0.002","6323.5","0.3","120","2","120","2","","","","","","","","7","P -1","-P 1","2","","Tris[dipyrido[3,2-a:23-c]benzo[i]phenazine]iron(II) di-tetrafluoroborate hydrate tris-methanol solvate","","- C69 H50 B2 F8 Fe N12 O4 -","- C67.5 H42 B2 F8 Fe N12 O2.2 -","- C270 H168 B8 F32 Fe4 N48 O8.8 -","4","2","","Kulmaczewski, Rafal; Halcrow, Malcolm A.","Structures and spin states of crystalline [Fe(NCS)2L2] and [FeL3]2+complexes (L = an annelated 1,10-phenanthroline derivative)","CrystEngComm","2016","18","14","2570","","10.1039/C6CE00163G","","","1.54184","CuKα","","0.1237","0.0851","","","0.2313","0.2698","","","","","","1.036","","","","has coordinates,has disorder","181618","2020-10-21","18:00:00",""
"7224623","13.3521","0.0004","16.1985","0.0005","17.4429","0.0004","90","","110.287","0.003","90","","3538.6","0.19","160","2","160","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Bis[1,4,8,9-tetraaza-triphenylene]-di[isothiocyanato]iron(II)di-pyridine solvate","","- C40 H26 Fe N12 S2 -","- C40 H26 Fe N12 S2 -","- C160 H104 Fe4 N48 S8 -","4","1","","Kulmaczewski, Rafal; Halcrow, Malcolm A.","Structures and spin states of crystalline [Fe(NCS)2L2] and [FeL3]2+complexes (L = an annelated 1,10-phenanthroline derivative)","CrystEngComm","2016","18","14","2570","","10.1039/C6CE00163G","","","1.54184","CuKα","","0.07","0.0513","","","0.129","0.1445","","","","","","1.021","","","","has coordinates,has disorder","181618","2020-10-21","18:00:00",""
"7224624","13.4396","0.0003","16.2494","0.0003","17.5932","0.0004","90","","110.306","0.002","90","","3603.32","0.14","200","2","200","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Bis[1,4,8,9-tetraaza-triphenylene]-di[isothiocyanato]iron(II)di-pyridine solvate","","- C40 H26 Fe N12 S2 -","- C40 H26 Fe N12 S2 -","- C160 H104 Fe4 N48 S8 -","4","1","","Kulmaczewski, Rafal; Halcrow, Malcolm A.","Structures and spin states of crystalline [Fe(NCS)2L2] and [FeL3]2+complexes (L = an annelated 1,10-phenanthroline derivative)","CrystEngComm","2016","18","14","2570","","10.1039/C6CE00163G","","","1.54184","CuKα","","0.07","0.0491","","","0.1222","0.1389","","","","","","1.027","","","","has coordinates,has disorder","181618","2020-10-21","18:00:00",""
"7224625","13.4781","0.0009","16.2943","0.0012","17.6998","0.0012","90","","110.31","0.008","90","","3645.5","0.5","240","2","240","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Bis[1,4,8,9-tetraaza-triphenylene]-di[isothiocyanato]iron(II)di-pyridine solvate","","- C40 H26 Fe N12 S2 -","- C40 H26 Fe N12 S2 -","- C160 H104 Fe4 N48 S8 -","4","1","","Kulmaczewski, Rafal; Halcrow, Malcolm A.","Structures and spin states of crystalline [Fe(NCS)2L2] and [FeL3]2+complexes (L = an annelated 1,10-phenanthroline derivative)","CrystEngComm","2016","18","14","2570","","10.1039/C6CE00163G","","","1.54184","CuKα","","0.0923","0.0589","","","0.1517","0.186","","","","","","1.031","","","","has coordinates,has disorder","181618","2020-10-21","18:00:00",""
"7224626","9.1639","0.0009","21.32","0.002","10.0007","0.001","90","","109.652","0.001","90","","1840.1","0.3","110","2","110","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C22 H21.18 N2 O2.59 -","- C22 H21.178 N2 O2.589 -","- C88 H84.712 N8 O10.356 -","4","1","","Sivakumar, Reajean; Askari, Mohammad S.; Woo, Simon; Madwar, Carolin; Ottenwaelder, Xavier; Bohle, D. Scott; Cuccia, Louis A.","Homochiral crystal generation via sequential dehydration and Viedma ripening","CrystEngComm","2016","18","23","4277","","10.1039/C6CE00119J","","","0.71073","MoKα","","0.0522","0.0444","","","0.1025","0.1072","","","","","","1.083","","","","has coordinates","185280","2020-10-21","18:00:00",""
"7224627","8.2411","0.0001","14.0973","0.0002","16.1938","0.0002","90","","90","","90","","1881.35","0.04","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C22 H20 N2 O2 -","- C22 H20 N2 O2 -","- C88 H80 N8 O8 -","4","1","","Sivakumar, Reajean; Askari, Mohammad S.; Woo, Simon; Madwar, Carolin; Ottenwaelder, Xavier; Bohle, D. Scott; Cuccia, Louis A.","Homochiral crystal generation via sequential dehydration and Viedma ripening","CrystEngComm","2016","18","23","4277","","10.1039/C6CE00119J","","","1.54178","CuKα","","0.03","0.0291","","","0.071","0.0718","","","","","","1.06","","","","has coordinates","185280","2020-10-21","18:00:00",""
"7224628","8.3899","0.0007","8.3899","0.0007","27.226","0.002","90","","90","","90","","1916.4","0.3","150","2","150","2","","","","","","","","5","P 43 21 2","P 4nw 2abw","96","","","","- C10 H10 N O2 S -","- C10 H10 N O2 S -","- C80 H80 N8 O16 S8 -","8","1","","Sivakumar, Reajean; Askari, Mohammad S.; Woo, Simon; Madwar, Carolin; Ottenwaelder, Xavier; Bohle, D. Scott; Cuccia, Louis A.","Homochiral crystal generation via sequential dehydration and Viedma ripening","CrystEngComm","2016","18","23","4277","","10.1039/C6CE00119J","","","0.71073","MoKα","","0.0286","0.0271","","","0.0719","0.0729","","","","","","1.101","","","","has coordinates","185280","2020-10-21","18:00:00",""
"7224629","12.224","0.0003","13.6903","0.0003","14.0756","0.0009","90.71","0.006","105.688","0.007","90.843","0.006","2267.23","0.18","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C56 H68 Gd2 Na2 O67.07 S8 -","- C56 H68 Gd2 Na2 O67.072 S8 -","- C56 H68 Gd2 Na2 O67.072 S8 -","1","0.5","","Miller-Shakesby, David M.; Burke, Benjamin P.; Nigam, Shubhanchi; Stasiuk, Graeme J.; Prior, Timothy J.; Archibald, Stephen J.; Redshaw, Carl","Synthesis, structures and cytotoxicity studies of p-sulfonatocalix[4]arene lanthanide complexes","CrystEngComm","2016","18","26","4977","","10.1039/C6CE00209A","","","0.71073","MoKα","","0.0457","0.0443","","","0.1102","0.111","","","","","","1.12","","","","has coordinates,has disorder","185201","2020-10-21","18:00:00",""
"7224630","16.504","0.004","23.227","0.003","38.406","0.007","73.798","0.012","80.363","0.016","85.658","0.015","13932","5","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C168 H96 O195 S24 Tb8 -","- C168 H96 O195 S24 Tb8 -","- C336 H192 O390 S48 Tb16 -","2","1","","Miller-Shakesby, David M.; Burke, Benjamin P.; Nigam, Shubhanchi; Stasiuk, Graeme J.; Prior, Timothy J.; Archibald, Stephen J.; Redshaw, Carl","Synthesis, structures and cytotoxicity studies of p-sulfonatocalix[4]arene lanthanide complexes","CrystEngComm","2016","18","26","4977","","10.1039/C6CE00209A","","","0.71073","MoKα","","0.1324","0.0838","","","0.2125","0.2453","","","","","","0.823","","","","has coordinates","185201","2020-10-21","18:00:00",""
"7224631","11.9482","0.001","12.3059","0.0008","15.2457","0.0012","68.694","0.005","77.073","0.006","89.16","0.006","2030","0.3","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C29 H32 Cl2 O23 S4 -","- C29 H32 Cl2 O23 S4 -","- C58 H64 Cl4 O46 S8 -","2","1","","Miller-Shakesby, David M.; Burke, Benjamin P.; Nigam, Shubhanchi; Stasiuk, Graeme J.; Prior, Timothy J.; Archibald, Stephen J.; Redshaw, Carl","Synthesis, structures and cytotoxicity studies of p-sulfonatocalix[4]arene lanthanide complexes","CrystEngComm","2016","18","26","4977","","10.1039/C6CE00209A","","","0.71073","MoKα","","0.1462","0.0676","","","0.1521","0.176","","","","","","0.828","","","","has coordinates,has disorder","185201","2020-10-21","18:00:00",""
"7224632","9.4916","0.0009","18.1887","0.0017","22.275","0.002","91.579","0.001","97.329","0.001","102.755","0.001","3713.8","0.6","173","2","173","2","","","","","","","No.","5","P -1","-P 1","2","pCF3DTDA","4-(4-trifluormethylphenyl)-1,2,3,5-dithiadiazolyl","","- C8 H4 F3 N2 S2 -","- C8 H4 F3 N2 S2 -","- C128 H64 F48 N32 S32 -","16","8","","Boeré, René T.","Short contacts of the sulphur atoms of a 1,2,3,5-dithiadiazolyl dimer with triphenylstibine: first co-crystal with an aromatic compound","CrystEngComm","2016","18","15","2748","","10.1039/C6CE00351F","","x-ray","0.71073","MoKα","","0.1396","0.054","","","0.093","0.1185","","","","","","0.973","","","","has coordinates,has disorder","182644","2020-10-21","18:00:00",""
"7224633","11.4543","0.001","11.7399","0.001","13.948","0.0012","73.364","0.001","73.247","0.001","82.579","0.001","1718.6","0.3","263","2","263","2","","","101","","","","","6","P -1","-P 1","2","4-(4-Trifluoromethylphenyl)-1,2,3,5-dithiadiazolyl triphenylstibine 2:1","2,7-bis[4-(trifluoromethyl)phenyl]-4/l4,5/l4,9/l4,10/l4-tetrathieto[1,2-a:3,4-a']bis[1,2,3,5]dithiadiazole triphenylstibine","","- C34 H23 F6 N4 S4 Sb -","- C34 H23 F6 N4 S4 Sb -","- C68 H46 F12 N8 S8 Sb2 -","2","1","","Boeré, René T.","Short contacts of the sulphur atoms of a 1,2,3,5-dithiadiazolyl dimer with triphenylstibine: first co-crystal with an aromatic compound","CrystEngComm","2016","18","15","2748","","10.1039/C6CE00351F","","x-ray","0.71073","MoKα","","0.0404","0.0313","","","0.0789","0.0864","","","","","","1.054","","","","has coordinates,has disorder","182644","2020-10-21","18:00:00",""
"7224634","31.614","0.002","14.2436","0.0004","24.503","0.001","90","","124.645","0.007","90","","9077.3","1.1","173","2","173","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C43 H47 Br3 Cl2 N6 O3 -","- C43 H47 Br3 Cl2 N6 O3 -","- C344 H376 Br24 Cl16 N48 O24 -","8","1","","Petryk, Małgorzata; Biniek, Katarzyna; Janiak, Agnieszka; Kwit, Marcin","Unexpected narcissistic self-sorting at molecular and supramolecular levels in racemic chiral calixsalens","CrystEngComm","2016","18","26","4996","","10.1039/C6CE00256K","","","0.71073","MoKα","","0.0733","0.0448","","","0.0817","0.0911","","","","","","1.02","","","","has coordinates,has disorder","185205","2020-10-21","18:00:00",""
"7224635","14.1389","0.0002","20.7594","0.0002","32.7591","0.0004","90","","100.665","0.001","90","","9449.2","0.2","130","2","130","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C47 H57 N7 O3 -","- C46 H55.5 N6.5 O3 -","- C368 H444 N52 O24 -","8","2","","Petryk, Małgorzata; Biniek, Katarzyna; Janiak, Agnieszka; Kwit, Marcin","Unexpected narcissistic self-sorting at molecular and supramolecular levels in racemic chiral calixsalens","CrystEngComm","2016","18","26","4996","","10.1039/C6CE00256K","","","1.54184","CuKα","","0.0632","0.054","","","0.1496","0.1562","","","","","","1.037","","","","has coordinates","185205","2020-10-21","18:00:00",""
"7224636","17.3951","0.0003","26.2912","0.0004","27.8638","0.0005","90","","106.088","0.002","90","","12244.1","0.4","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C56 H75 N7 O3 -","- C56 H75 N7 O3 -","- C448 H600 N56 O24 -","8","2","","Petryk, Małgorzata; Biniek, Katarzyna; Janiak, Agnieszka; Kwit, Marcin","Unexpected narcissistic self-sorting at molecular and supramolecular levels in racemic chiral calixsalens","CrystEngComm","2016","18","26","4996","","10.1039/C6CE00256K","","","1.54184","CuKα","","0.0754","0.0517","","","0.129","0.1392","","","","","","1.002","","","","has coordinates","185205","2020-10-21","18:00:00",""
"7224637","9.5522","0.0004","9.5522","0.0004","9.5522","0.0004","90","","90","","90","","871.59","0.06","295","1","295","1","","","","","","","","3","F m -3 m","-F 4 2 3","225","","","","- C10 H15 F -","- C10 H15 F -","- C40 H60 F4 -","4","0.0208333","","Ben Hassine, B.; Negrier, Ph; Romanini, M.; Barrio, M.; Macovez, R.; Kallel, A.; Mondieig, D.; Tamarit, J. Ll","Structure and reorientational dynamics of 1-F-adamantane.","Physical chemistry chemical physics : PCCP","2016","18","16","10924","10930","10.1039/c6cp01144f","","","1.54056","CuKα~1~","","","","","","","","","","","","","","","","","has coordinates","182797","2020-10-21","18:00:00",""
"7224638","6.7776","0.0003","6.7776","0.0003","8.8235","0.0005","90","","90","","90","","405.32","0.03","100","1","100","1","","","","","","","","3","P -4 21 c","P -4 2n","114","","","","- C10 H15 F -","- C10 H15 F -","- C20 H30 F2 -","2","0.25","","Ben Hassine, B.; Negrier, Ph; Romanini, M.; Barrio, M.; Macovez, R.; Kallel, A.; Mondieig, D.; Tamarit, J. Ll","Structure and reorientational dynamics of 1-F-adamantane.","Physical chemistry chemical physics : PCCP","2016","18","16","10924","10930","10.1039/c6cp01144f","","","1.54056","CuKα~1~","","","","","","","","","","","","","","","","","has coordinates","182797","2020-10-21","18:00:00",""
"7224639","6.132","0.002","14.536","0.005","19.327","0.007","90","","90","","90","","1722.7","1","100","","100","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C23 H17 N O S -","- C23 H17 N O S -","- C92 H68 N4 O4 S4 -","4","1","","Baig, Noorullah; Madduluri, Vimal Kumar; Sah, Ajay K.","Selective oxidation of organic sulfides to sulfoxides using sugar derived cis-dioxo molybdenum(vi) complexes: kinetic and mechanistic studies","RSC Adv.","2016","6","33","28015","","10.1039/C6RA01087C","","","0.71075","MoKα","","0.1416","0.091","","","0.2135","0.2693","","","","","","1.018","","","","has coordinates","178327","2020-10-21","18:00:00",""
"7224640","5.626","0.001","12.886","0.002","24.399","0.005","90","","90","","90","","1768.8","0.6","100","","100","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C23 H17 N O2 S -","- C23 H17 N O2 S -","- C92 H68 N4 O8 S4 -","4","1","","Baig, Noorullah; Madduluri, Vimal Kumar; Sah, Ajay K.","Selective oxidation of organic sulfides to sulfoxides using sugar derived cis-dioxo molybdenum(vi) complexes: kinetic and mechanistic studies","RSC Adv.","2016","6","33","28015","","10.1039/C6RA01087C","","","0.71075","MoKα","","0.0885","0.0627","","","0.1231","0.1418","","","","","","1.083","","","","has coordinates","178327","2020-10-21","18:00:00",""
"7224641","8.085","0.005","6.71","0.004","10.341","0.006","90","","93.418","0.009","90","","560","0.6","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C10 H7 F3 N2 O2 -","- C10 H7 F3 N2 O2 -","- C20 H14 F6 N4 O4 -","2","1","","Jakhar, Ajay; Kumari, Prathibha; Nazish, Mohd; Khan, Noor-ul Hasan; Kureshy, Rukhsana Ilyas; Abdi, Sayed H. R.; Eringathodi, Suresh","Catalytic asymmetric synthesis of enantioenriched β-nitronitrile bearing a C-CF3 stereogenic center","RSC Adv.","2016","","","","","10.1039/C6RA00093B","","","0.71073","MoKα","","0.1184","0.0902","","","0.1719","0.1827","","","","","","1.187","","","","has coordinates","178328","2020-10-21","18:00:00",""
"7224642","9.7402","0.0004","11.9977","0.0007","13.1123","0.0005","71.536","0.004","83.542","0.004","81.195","0.004","1432.94","0.12","106.6","","106.6","","","","","","","","","6","P -1","-P 1","2","","","","- C28 H31 Cl2 N3 O4 S2 -","- C28 H31 Cl2 N3 O4 S2 -","- C56 H62 Cl4 N6 O8 S4 -","2","1","","Shang, Hai; Tian, Yu; Luo, Jun; Li, Ling-Yu; Tang, Yefeng; Zou, Zhong-Mei","Rhodium(II)-Catalyzed Intramolecular Annulation of 1-Sulfonyl-1,2,3-Triazoles with Indoles: Facile Synthesis of Functionalized Tetrahydro-β-Carbolines","RSC Adv.","2016","","","","","10.1039/C6RA02923J","","","0.7107","MoKα","","0.0485","0.0383","","","0.0843","0.0899","","","","","","1.036","","","","has coordinates","178329","2020-10-21","18:00:00",""
"7224643","15.8491","0.0011","10.2222","0.0008","10.1374","0.0008","90","","101.018","0.003","90","","1612.1","0.2","200","2","200","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","1-(4-chloro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzyl)-1H-tetrazole","","- C14 H18 B Cl N4 O2 -","- C14 H18 B Cl N4 O2 -","- C56 H72 B4 Cl4 N16 O8 -","4","1","","Fang, Hao-Ping; Fu, Chia-Chieh; Tai, Chin-Kuen; Chang, Ken-Hao; Yang, Ru-Han; Wu, Meng-Ju; Chen, Hsien-Chi; Li, Chia-Jung; Huang, Shi-Qing; Lien, Wan-Hsiang; Chen, Chih-Hsin; Hsieh, Chung-Hung; Wang, Bo-Cheng; Cheung, Siu-Fung; Pan, PoShen","Synthesis and Stability Study of Isocyano Aryl Boronate Esters and their Synthetic Applications","RSC Adv.","2016","","","","","10.1039/C5RA27624A","","","0.71073","MoKα","","0.0896","0.0626","","","0.1745","0.2057","","","","","","1.062","","","","has coordinates","178330","2020-10-21","18:00:00",""
"7224644","17.688","0.0011","6.98","0.0008","11.9076","0.0009","90","","108.949","0.005","90","","1390.5","0.2","200","2","200","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","1-(4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)-1H-tetrazole","","- C13 H17 B N4 O2 -","- C13 H17 B N4 O2 -","- C52 H68 B4 N16 O8 -","4","1","","Fang, Hao-Ping; Fu, Chia-Chieh; Tai, Chin-Kuen; Chang, Ken-Hao; Yang, Ru-Han; Wu, Meng-Ju; Chen, Hsien-Chi; Li, Chia-Jung; Huang, Shi-Qing; Lien, Wan-Hsiang; Chen, Chih-Hsin; Hsieh, Chung-Hung; Wang, Bo-Cheng; Cheung, Siu-Fung; Pan, PoShen","Synthesis and Stability Study of Isocyano Aryl Boronate Esters and their Synthetic Applications","RSC Adv.","2016","","","","","10.1039/C5RA27624A","","","0.71073","MoKα","","0.0966","0.0503","","","0.1003","0.1169","","","","","","1.012","","","","has coordinates","178330","2020-10-21","18:00:00",""
"7224645","11.0964","0.0005","13.2916","0.0006","10.4278","0.0007","90","","119.655","0.002","90","","1336.54","0.13","200","2","200","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","2-(4-isocyanophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane","","- C13 H16 B N O2 -","- C13 H16 B N O2 -","- C52 H64 B4 N4 O8 -","4","0.5","","Fang, Hao-Ping; Fu, Chia-Chieh; Tai, Chin-Kuen; Chang, Ken-Hao; Yang, Ru-Han; Wu, Meng-Ju; Chen, Hsien-Chi; Li, Chia-Jung; Huang, Shi-Qing; Lien, Wan-Hsiang; Chen, Chih-Hsin; Hsieh, Chung-Hung; Wang, Bo-Cheng; Cheung, Siu-Fung; Pan, PoShen","Synthesis and Stability Study of Isocyano Aryl Boronate Esters and their Synthetic Applications","RSC Adv.","2016","","","","","10.1039/C5RA27624A","","","0.71073","MoKα","","0.0453","0.0372","","","0.0925","0.0996","","","","","","1.022","","","","has coordinates","178330","2020-10-21","18:00:00",""
"7224646","8.5168","0.0008","6.307","0.0006","11.8129","0.0011","90","","107.892","0.003","90","","603.85","0.1","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C14 H12 N2 O2 -","- C14 H12 N2 O2 -","- C28 H24 N4 O4 -","2","0.5","","Yang, Jinlai; Rui, Jian; Xu, Xu; Yang, Yiqin; Su, Jun; Xu, Haijun; Wang, Yunyun; Sun, Nan; Wang, Shifa","Fluorescence staining of salicylaldehyde azine and applications in the determination of potassium tert-butoxide","RSC Adv.","2016","","","","","10.1039/C6RA01035K","","","0.71073","MoKα","","0.0518","0.0416","","","0.1133","0.1203","","","","","","1.076","","","","has coordinates","178362","2020-10-21","18:00:00",""
"7224647","8.2674","0.0004","8.3564","0.0004","10.2593","0.0005","104.702","0.005","106.043","0.004","109.624","0.006","592.71","0.07","295","2","295","2","","","","","","","","4","P -1","-P 1","2","","","","- H8 Mo4 N2 O13 -","- H8 Mo4 N2 O13 -","- H16 Mo8 N4 O26 -","2","1","","Najafi, Mahnaz; Abbasi, Alireza; Masteri-Farahani, Majid; Shahbaazi, Hamidreza; Ahmadniai Motlagh, Mahmood; Janczak, Jan","A one-dimensional polyoxomolybdate polymer as catalyst for the epoxidation of olefins","RSC Adv.","2016","","","","","10.1039/C6RA02248K","","","0.71073","MoKα","","0.0421","0.0275","","","0.0511","0.0556","","","","","","1","","","","has coordinates","178363","2020-10-21","18:00:00",""
"7224648","20.164","0.004","16.345","0.005","16.679","0.005","90","","90","","90","","5497","3","293","2","293","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C87 H72 La2 N2 O40 -","- C87 H72 La2 N2 O40 -","- C174 H144 La4 N4 O80 -","2","0.5","","Sun, Jing-Wen; Li, Shang-Ju; Yan, Peng-Fei; Yao, Xu; Li, Guang-Ming","In situ recrystallization of lanthanide coordination polymers: from 1D ladder chains to 1D linear chains","CrystEngComm","2016","18","17","3079","","10.1039/C6CE00182C","","","0.71073","MoKα","","0.1004","0.0685","","","0.1849","0.2095","","","","","","1.037","","","","has coordinates","182657","2020-10-21","18:00:00",""
"7224649","20.052","0.007","16.35","0.004","16.623","0.004","90","","90","","90","","5450","3","293","2","293","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C44 H36 Lu N O20 -","- C44 H36 Lu N O20 -","- C176 H144 Lu4 N4 O80 -","4","1","","Sun, Jing-Wen; Li, Shang-Ju; Yan, Peng-Fei; Yao, Xu; Li, Guang-Ming","In situ recrystallization of lanthanide coordination polymers: from 1D ladder chains to 1D linear chains","CrystEngComm","2016","18","17","3079","","10.1039/C6CE00182C","","","0.71073","MoKα","","0.078","0.0584","","","0.1549","0.1698","","","","","","1.076","","","","has coordinates","182657","2020-10-21","18:00:00",""
"7224650","20.14","0.004","16.625","0.003","16.701","0.003","90","","90","","90","","5592","1.8","293","2","293","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C44 H36 Gd N O20 -","- C44 H36 Gd N O20 -","- C176 H144 Gd4 N4 O80 -","4","1","","Sun, Jing-Wen; Li, Shang-Ju; Yan, Peng-Fei; Yao, Xu; Li, Guang-Ming","In situ recrystallization of lanthanide coordination polymers: from 1D ladder chains to 1D linear chains","CrystEngComm","2016","18","17","3079","","10.1039/C6CE00182C","","","0.71073","MoKα","","0.0453","0.0406","","","0.1076","0.1096","","","","","","1.096","","","","has coordinates","182657","2020-10-21","18:00:00",""
"7224651","20.285","0.004","16.776","0.003","16.805","0.003","90","","90","","90","","5718.8","1.8","293","2","293","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C44 H36 N O20 Pr -","- C44 H36 N O20 Pr -","- C176 H144 N4 O80 Pr4 -","4","1","","Sun, Jing-Wen; Li, Shang-Ju; Yan, Peng-Fei; Yao, Xu; Li, Guang-Ming","In situ recrystallization of lanthanide coordination polymers: from 1D ladder chains to 1D linear chains","CrystEngComm","2016","18","17","3079","","10.1039/C6CE00182C","","","0.71073","MoKα","","0.0689","0.0375","","","0.0856","0.0924","","","","","","0.858","","","","has coordinates","182657","2020-10-21","18:00:00",""
"7224652","9.4321","0.0019","23.555","0.005","16.669","0.003","90","","102.81","0.03","90","","3611.2","1.3","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C58 H47 La2 O31 -","- C58 H47 La2 O31 -","- C116 H94 La4 O62 -","2","1","","Sun, Jing-Wen; Li, Shang-Ju; Yan, Peng-Fei; Yao, Xu; Li, Guang-Ming","In situ recrystallization of lanthanide coordination polymers: from 1D ladder chains to 1D linear chains","CrystEngComm","2016","18","17","3079","","10.1039/C6CE00182C","","","0.71073","MoKα","","0.0593","0.0497","","","0.1334","0.1475","","","","","","1.054","","","","has coordinates,has disorder","182657","2020-10-21","18:00:00",""
"7224653","9.4048","0.0019","23.598","0.005","16.683","0.003","90","","102.47","0.03","90","","3615.2","1.3","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C58 H48 Ce2 O31 -","- C58 H48 Ce2 O31 -","- C116 H96 Ce4 O62 -","2","1","","Sun, Jing-Wen; Li, Shang-Ju; Yan, Peng-Fei; Yao, Xu; Li, Guang-Ming","In situ recrystallization of lanthanide coordination polymers: from 1D ladder chains to 1D linear chains","CrystEngComm","2016","18","17","3079","","10.1039/C6CE00182C","","","0.71073","MoKα","","0.0735","0.055","","","0.1364","0.1472","","","","","","0.981","","","","has coordinates","182657","2020-10-21","18:00:00",""
"7224654","9.333","0.0009","23.444","0.002","16.4638","0.0015","90","","103.628","0.001","90","","3500.9","0.6","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C58 H48 O31 Pr2 -","- C58 H48 O31 Pr2 -","- C116 H96 O62 Pr4 -","2","1","","Sun, Jing-Wen; Li, Shang-Ju; Yan, Peng-Fei; Yao, Xu; Li, Guang-Ming","In situ recrystallization of lanthanide coordination polymers: from 1D ladder chains to 1D linear chains","CrystEngComm","2016","18","17","3079","","10.1039/C6CE00182C","","","0.71073","MoKα","","0.0513","0.0475","","","0.1284","0.1321","","","","","","1.055","","","","has coordinates","182657","2020-10-21","18:00:00",""
"7224655","9.3238","0.0019","23.424","0.005","16.73","0.003","90","","102.7","0.03","90","","3564.5","1.3","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C57 H45 Nd2 O31 -","- C57 H45 Nd2 O31 -","- C114 H90 Nd4 O62 -","2","1","","Sun, Jing-Wen; Li, Shang-Ju; Yan, Peng-Fei; Yao, Xu; Li, Guang-Ming","In situ recrystallization of lanthanide coordination polymers: from 1D ladder chains to 1D linear chains","CrystEngComm","2016","18","17","3079","","10.1039/C6CE00182C","","","0.71073","MoKα","","0.0759","0.0558","","","0.1435","0.1784","","","","","","1.081","","","","has coordinates","182657","2020-10-21","18:00:00",""
"7224656","20.195","0.004","16.765","0.003","16.778","0.003","90","","90","","90","","5680.5","1.8","293","2","293","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C44 H36 Ce N O20 -","- C44 H36 Ce N O20 -","- C176 H144 Ce4 N4 O80 -","4","1","","Sun, Jing-Wen; Li, Shang-Ju; Yan, Peng-Fei; Yao, Xu; Li, Guang-Ming","In situ recrystallization of lanthanide coordination polymers: from 1D ladder chains to 1D linear chains","CrystEngComm","2016","18","17","3079","","10.1039/C6CE00182C","","","0.71073","MoKα","","0.036","0.0342","","","0.0972","0.0985","","","","","","1.05","","","","has coordinates","182657","2020-10-21","18:00:00",""
"7224657","20.169","0.004","16.722","0.003","16.759","0.003","90","","90","","90","","5652.2","1.8","293","2","293","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C44 H36 N Nd O20 -","- C44 H36 N Nd O20 -","- C176 H144 N4 Nd4 O80 -","4","1","","Sun, Jing-Wen; Li, Shang-Ju; Yan, Peng-Fei; Yao, Xu; Li, Guang-Ming","In situ recrystallization of lanthanide coordination polymers: from 1D ladder chains to 1D linear chains","CrystEngComm","2016","18","17","3079","","10.1039/C6CE00182C","","","0.71073","MoKα","","0.0456","0.04","","","0.1152","0.1181","","","","","","1.058","","","","has coordinates","182657","2020-10-21","18:00:00",""
"7224658","7.2055","0.0003","10.5292","0.0004","13.3705","0.0005","79.615","0.0014","75.18","0.0015","75.853","0.0015","943.38","0.06","296","2","296.15","","","","","","","","","5","P -1","-P 1","2","","","","- C32 H40 N4 O24 Zn3 -","- C32 H40 N4 O24 Zn3 -","- C32 H40 N4 O24 Zn3 -","1","0.5","","Wu, Bing; Zhang, Wen-Hua; Lang, Jian-Ping","Site-selective homo- and hetero-metallic doping of a 1D Zn-based coordination polymer to enhance the dimensionality and photocurrent responses","CrystEngComm","2016","18","17","3048","","10.1039/C6CE00187D","","","0.71073","MoKα","","0.035","0.025","","","0.0542","0.0574","","","","","","1.026","","","","has coordinates","182658","2020-10-21","18:00:00",""
"7224659","7.2017","0.0005","10.522","0.0007","13.3762","0.0009","79.622","0.003","75.172","0.003","75.896","0.003","942.78","0.11","296","2","296.15","","","","","","","","","6","P -1","-P 1","2","","","","- C16 H20 Co0.12 N2 O12 Zn1.38 -","- C16 H20 Co0.12 N2 O12 Zn1.38 -","- C32 H40 Co0.24 N4 O24 Zn2.76 -","2","1","","Wu, Bing; Zhang, Wen-Hua; Lang, Jian-Ping","Site-selective homo- and hetero-metallic doping of a 1D Zn-based coordination polymer to enhance the dimensionality and photocurrent responses","CrystEngComm","2016","18","17","3048","","10.1039/C6CE00187D","","","0.71073","MoKα","","0.0596","0.0384","","","0.0682","0.0743","","","","","","1.019","","","","has coordinates,has disorder","182658","2020-10-21","18:00:00",""
"7224660","7.2538","0.0004","10.5659","0.001","13.3762","0.0009","79.593","0.007","75.556","0.005","75.382","0.007","953.04","0.13","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C16 H20 Co0.3 N2 O12 Zn1.2 -","- C16 H20 Co0.3 N2 O12 Zn1.2 -","- C32 H40 Co0.6 N4 O24 Zn2.4 -","2","1","","Wu, Bing; Zhang, Wen-Hua; Lang, Jian-Ping","Site-selective homo- and hetero-metallic doping of a 1D Zn-based coordination polymer to enhance the dimensionality and photocurrent responses","CrystEngComm","2016","18","17","3048","","10.1039/C6CE00187D","","","0.71073","MoKα","","0.0392","0.0311","","","0.0738","0.0797","","","","","","1.029","","","","has coordinates,has disorder","182658","2020-10-21","18:00:00",""
"7224661","7.2078","0.0003","10.5186","0.0004","13.3785","0.0005","79.506","0.0014","75.031","0.0015","75.782","0.0015","942.21","0.06","296","2","296.15","","","","","","","","","6","P -1","-P 1","2","","","","- C32 H40 Co N4 O24 Zn2 -","- C32 H40 Co N4 O24 Zn2 -","- C32 H40 Co N4 O24 Zn2 -","1","0.5","","Wu, Bing; Zhang, Wen-Hua; Lang, Jian-Ping","Site-selective homo- and hetero-metallic doping of a 1D Zn-based coordination polymer to enhance the dimensionality and photocurrent responses","CrystEngComm","2016","18","17","3048","","10.1039/C6CE00187D","","","0.71073","MoKα","","0.035","0.026","","","0.0547","0.0576","","","","","","1.062","","","","has coordinates","182658","2020-10-21","18:00:00",""
"7224662","28.2608","0.0003","17.9257","0.0003","10.2348","0.0001","90","","90","","90","","5184.89","0.11","310","2","310","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C24 H24 Cl4.49 N1.5 O3 -","- C24 H24 Cl4.486 N1.5 O3 -","- C192 H192 Cl35.888 N12 O24 -","8","1","","Zeng, Siyuan; Sun, Zhihua; Ji, Chengmin; Zhang, Shuquan; Song, Cheng; Luo, Junhua","Dibenzylammonium trichloroacetate: an above-room-temperature order‒disorder switchable dielectric material","CrystEngComm","2016","18","20","3606","","10.1039/C6CE00194G","","","1.54184","CuKα","","0.0894","0.0743","","","0.2093","0.2332","","","","","","1.065","","","","has coordinates,has disorder","185234","2020-10-21","18:00:00",""
"7224663","28.2714","0.0003","17.9408","0.0002","10.2446","0.0001","90","","90","","90","","5196.18","0.09","315","2","315","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C24 H24 Cl4.49 N1.5 O3 -","- C24 H24 Cl4.4935 N1.5 O3 -","- C192 H192 Cl35.948 N12 O24 -","8","1","","Zeng, Siyuan; Sun, Zhihua; Ji, Chengmin; Zhang, Shuquan; Song, Cheng; Luo, Junhua","Dibenzylammonium trichloroacetate: an above-room-temperature order‒disorder switchable dielectric material","CrystEngComm","2016","18","20","3606","","10.1039/C6CE00194G","","","1.54184","CuKα","","0.0886","0.0775","","","0.2158","0.2301","","","","","","1.06","","","","has coordinates,has disorder","185234","2020-10-21","18:00:00",""
"7224664","28.2869","0.0004","17.9428","0.0003","10.2513","0.0001","90","","90","","90","","5203.01","0.12","320","2","320","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C24 H24 Cl4.5 N1.5 O3 -","- C24 H24 Cl4.5 N1.5 O3 -","- C192 H192 Cl36 N12 O24 -","8","1","","Zeng, Siyuan; Sun, Zhihua; Ji, Chengmin; Zhang, Shuquan; Song, Cheng; Luo, Junhua","Dibenzylammonium trichloroacetate: an above-room-temperature order‒disorder switchable dielectric material","CrystEngComm","2016","18","20","3606","","10.1039/C6CE00194G","","","1.54184","CuKα","","0.1013","0.085","","","0.2402","0.2619","","","","","","1.077","","","","has coordinates,has disorder","185234","2020-10-21","18:00:00",""
"7224665","27.9771","0.001","17.8261","0.0007","10.0751","0.0003","90","","90","","90","","5024.7","0.3","293","2","293","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C24 H24 Cl4.5 N1.5 O3 -","- C24 H24 Cl4.5 N1.5 O3 -","- C192 H192 Cl36 N12 O24 -","8","1","","Zeng, Siyuan; Sun, Zhihua; Ji, Chengmin; Zhang, Shuquan; Song, Cheng; Luo, Junhua","Dibenzylammonium trichloroacetate: an above-room-temperature order‒disorder switchable dielectric material","CrystEngComm","2016","18","20","3606","","10.1039/C6CE00194G","","","0.71073","MoKα","","0.0565","0.04","","","0.0932","0.103","","","","","","1.024","","","","has coordinates","185234","2020-10-21","18:00:00",""
"7224666","11.9822","0.0016","22.5","0.003","25.497","0.003","69.912","0.002","82.904","0.002","86.609","0.002","6405.3","1.4","296","2","296","2","","","","","","","","9","P -1","-P 1","2","","","","- C13 H72 As2 K7 N3 Na10 O115 Sn4 W22 -","- C13 H22 As2 K7 N3 Na10 O115 Sn4 W22 -","- C26 H44 As4 K14 N6 Na20 O230 Sn8 W44 -","2","1","","Ji, Li-Ping; Du, Jing; Li, Jian-Sheng; Zhang, Lan-Cui; Sang, Xiao-Jing; Yang, He; Cui, Hong-Juan; Zhu, Zai-Ming","A new boat-like tungstoarsenate functionalized by carboxyethyltin and its catalytic properties","RSC Adv.","2016","6","34","28956","","10.1039/C5RA27781G","","","0.71073","MoKα","","0.087","0.0561","","","0.139","0.1566","","","","","","1.002","","","","has coordinates,has disorder","178866","2020-10-21","18:00:00",""
"7224667","15.103","0.0003","15.103","0.0003","10.0955","0.0004","90","","90","","90","","2302.79","0.11","296","2","296","2","","","","","","","","5","P 42/n :2","-P 4bc","86","","","","- C32 H20 N4 O18 Ru4 -","- C32 H16 N4 O18 Ru4 -","- C64 H32 N8 O36 Ru8 -","2","0.25","","Yang, Jindou; Wang, Xian; Zhang, Wei-Qiang; Zhang, Guofang; Gao, Ziwei","Formation of A Robust Ru4O4 Skeleton with Two Ru2(CO)4 Units in Criss-Cross Configuration","RSC Adv.","2016","","","","","10.1039/C6RA02558G","","","0.71073","MoKα","","0.0464","0.0321","","","0.0917","0.1047","","","","","","1.116","","","","has coordinates","178867","2020-10-21","18:00:00",""
"7224668","19.8822","0.0006","8.7859","0.0003","28.4716","0.0008","90","","104.659","0.003","90","","4811.6","0.3","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C17 H18 O11 Ru2 S2 -","- C17 H18 O11 Ru2 S2 -","- C136 H144 O88 Ru16 S16 -","8","1","","Yang, Jindou; Wang, Xian; Zhang, Wei-Qiang; Zhang, Guofang; Gao, Ziwei","Formation of A Robust Ru4O4 Skeleton with Two Ru2(CO)4 Units in Criss-Cross Configuration","RSC Adv.","2016","","","","","10.1039/C6RA02558G","","","0.71073","MoKα","","0.0657","0.0546","","","0.1455","0.1569","","","","","","1.15","","","","has coordinates","178867","2020-10-21","18:00:00",""
"7224669","11.3011","0.0002","11.3011","0.0002","30.7585","0.0011","90","","90","","90","","3928.32","0.17","296","2","296","2","","","","","","","","4","P 41 21 2","P 4abw 2nw","92","","","","- C14 H12 O13 Ru2 -","- C14 H12 O13 Ru2 -","- C112 H96 O104 Ru16 -","8","1","","Yang, Jindou; Wang, Xian; Zhang, Wei-Qiang; Zhang, Guofang; Gao, Ziwei","Formation of A Robust Ru4O4 Skeleton with Two Ru2(CO)4 Units in Criss-Cross Configuration","RSC Adv.","2016","","","","","10.1039/C6RA02558G","","","0.71073","MoKα","","0.05","0.0445","","","0.0862","0.0889","","","","","","1.165","","","","has coordinates","178867","2020-10-21","18:00:00",""
"7224670","15.341","0.004","15.341","0.004","9.98","0.006","90","","90","","90","","2348.8","1.7","296","2","296","2","","","","","","","","5","P 42/n :2","-P 4bc","86","","","","- C40 H28 N8 O16 Ru4 -","- C40 H28 N8 O16 Ru4 -","- C80 H56 N16 O32 Ru8 -","2","0.25","","Yang, Jindou; Wang, Xian; Zhang, Wei-Qiang; Zhang, Guofang; Gao, Ziwei","Formation of A Robust Ru4O4 Skeleton with Two Ru2(CO)4 Units in Criss-Cross Configuration","RSC Adv.","2016","","","","","10.1039/C6RA02558G","","","0.71073","MoKα","","0.0412","0.034","","","0.0796","0.0834","","","","","","1.122","","","","has coordinates","178867","2020-10-21","18:00:00",""
"7224671","15.103","0.0003","15.103","0.0003","10.0955","0.0004","90","","90","","90","","2302.79","0.11","296","2","296","2","","","","","","","","5","P 42/n :2","-P 4bc","86","","","","- C32 H16 N4 O16 Ru4 -","- C32 H16 N4 O16 Ru4 -","- C64 H32 N8 O32 Ru8 -","2","0.25","","Yang, Jindou; Wang, Xian; Zhang, Wei-Qiang; Zhang, Guofang; Gao, Ziwei","Formation of A Robust Ru4O4 Skeleton with Two Ru2(CO)4 Units in Criss-Cross Configuration","RSC Adv.","2016","","","","","10.1039/C6RA02558G","","","0.71073","MoKα","","0.0501","0.0359","","","0.1143","0.1284","","","","","","1.148","","","","has coordinates","178867","2020-10-21","18:00:00",""
"7224672","10.0768","0.0006","14.766","0.0009","7.846","0.0005","90","","91.716","0.005","90","","1166.91","0.12","100.3","0.1","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C5 H10 Bi Br2 N S2 -","- C5 H10 Bi Br2 N S2 -","- C20 H40 Bi4 Br8 N4 S8 -","4","1","","Arda, M.; Ozturk, I. I.; Banti, C. N.; Kourkoumelis, N.; Manoli, M.; Tasiopoulos, A. J.; Hadjikakou, S. K.","Novel bismuth compounds: synthesis, characterization and biological activity against human adenocarcinoma cells","RSC Adv.","2016","6","35","29026","","10.1039/C6RA01181K","","","0.71073","MoKα","","0.0581","0.042","","","0.0991","0.1419","","","","","","1.147","","","","has coordinates","178868","2020-10-21","18:00:00",""
"7224673","10.218","0.0006","16.3552","0.0009","8.2644","0.0005","90","","100.927","0.006","90","","1356.08","0.14","100.05","0.1","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C6 H12 Bi Br N2 S4 -","- C6 H12 Bi Br N2 S4 -","- C24 H48 Bi4 Br4 N8 S16 -","4","1","","Arda, M.; Ozturk, I. I.; Banti, C. N.; Kourkoumelis, N.; Manoli, M.; Tasiopoulos, A. J.; Hadjikakou, S. K.","Novel bismuth compounds: synthesis, characterization and biological activity against human adenocarcinoma cells","RSC Adv.","2016","6","35","29026","","10.1039/C6RA01181K","","","0.71073","MoKα","","0.0499","0.0382","","","0.1032","0.1529","","","","","","1.17","","","","has coordinates","178868","2020-10-21","18:00:00",""
"7224674","9.4033","0.0003","11.2321","0.0004","17.6307","0.0006","93.566","0.003","98.144","0.003","96.906","0.003","1824.02","0.11","100.05","0.1","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C20 H40 Bi2 I2 N4 S8 -","- C20 H40 Bi2 I2 N4 S8 -","- C40 H80 Bi4 I4 N8 S16 -","2","1","","Arda, M.; Ozturk, I. I.; Banti, C. N.; Kourkoumelis, N.; Manoli, M.; Tasiopoulos, A. J.; Hadjikakou, S. K.","Novel bismuth compounds: synthesis, characterization and biological activity against human adenocarcinoma cells","RSC Adv.","2016","6","35","29026","","10.1039/C6RA01181K","","","0.71073","MoKα","","0.0295","0.024","","","0.0647","0.098","","","","","","1.185","","","","has coordinates","178868","2020-10-21","18:00:00",""
"7224675","10.2109","0.0005","16.3665","0.0007","8.2545","0.0004","90","","101.026","0.004","90","","1354","0.11","100","0.6","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C6 H12 Bi Br N2 S4 -","- C6 H12 Bi Br N2 S4 -","- C24 H48 Bi4 Br4 N8 S16 -","4","1","","Arda, M.; Ozturk, I. I.; Banti, C. N.; Kourkoumelis, N.; Manoli, M.; Tasiopoulos, A. J.; Hadjikakou, S. K.","Novel bismuth compounds: synthesis, characterization and biological activity against human adenocarcinoma cells","RSC Adv.","2016","6","35","29026","","10.1039/C6RA01181K","","","0.71073","MoKα","","0.0322","0.0271","","","0.0611","0.0637","","","","","","1.032","","","","has coordinates","178868","2020-10-21","18:00:00",""
"7224676","11.845","0.005","18.266","0.005","8.659","0.005","90","0.005","106.904","0.005","90","0.005","1792.5","1.4","100.2","0.7","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C10 H20 Bi I N2 S4 -","- C10 H20 Bi I N2 S4 -","- C40 H80 Bi4 I4 N8 S16 -","4","1","","Arda, M.; Ozturk, I. I.; Banti, C. N.; Kourkoumelis, N.; Manoli, M.; Tasiopoulos, A. J.; Hadjikakou, S. K.","Novel bismuth compounds: synthesis, characterization and biological activity against human adenocarcinoma cells","RSC Adv.","2016","6","35","29026","","10.1039/C6RA01181K","","","0.71073","MoKα","","0.0444","0.034","","","0.0635","0.0674","","","","","","0.993","","","","has coordinates","178868","2020-10-21","18:00:00",""
"7224677","23.8005","0.0012","11.1504","0.0006","8.0446","0.0005","90","","92.625","0.005","90","","2132.7","0.2","100.3","0.5","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C3 H6 Bi I2 N S2 -","- C3 H6 Bi I2 N S2 -","- C24 H48 Bi8 I16 N8 S16 -","8","1","","Arda, M.; Ozturk, I. I.; Banti, C. N.; Kourkoumelis, N.; Manoli, M.; Tasiopoulos, A. J.; Hadjikakou, S. K.","Novel bismuth compounds: synthesis, characterization and biological activity against human adenocarcinoma cells","RSC Adv.","2016","6","35","29026","","10.1039/C6RA01181K","","","1.54184","CuKα","","0.0465","0.0457","","","0.1224","0.1233","","","","","","1.13","","","","has coordinates","178868","2020-10-21","18:00:00",""
"7224678","14.7731","0.0011","18.9394","0.0014","8.7562","0.0006","90","","122.551","0.004","90","","2065.1","0.3","298","","298","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","Cd-muc-4bpdh","Cd-MOF 3","","- C20 H20 Cd N4 O5 -","- C20 H20 Cd N4 O5 -","- C80 H80 Cd4 N16 O20 -","4","0.5","","Ugale, Bharat; Nagaraja, C. M.","Construction of 2D interwoven and 3D metal‒organic frameworks (MOFs) of Cd(ii): the effect of ancillary ligands on the structure and the catalytic performance for the Knoevenagel reaction","RSC Adv.","2016","6","34","28854","","10.1039/C6RA01647B","","","0.71073","MoKα","","0.1542","0.0733","","","0.1225","0.1442","","","","","","1.038","","","","has coordinates","178869","2020-10-21","18:00:00",""
"7224679","14.294","0.0005","16.7484","0.0006","22.1104","0.0007","90","","90","","90","","5293.3","0.3","298","2","298","2","","","","","","","","5","P b c n","-P 2n 2ab","60","Cd-muc-bpa","Cd-MOF 1","","- C24 H22 Cd N3 O4 -","- C24 H22 Cd N3 O4 -","- C192 H176 Cd8 N24 O32 -","8","1","","Ugale, Bharat; Nagaraja, C. M.","Construction of 2D interwoven and 3D metal‒organic frameworks (MOFs) of Cd(ii): the effect of ancillary ligands on the structure and the catalytic performance for the Knoevenagel reaction","RSC Adv.","2016","6","34","28854","","10.1039/C6RA01647B","","","0.71073","MoKα","","0.064","0.037","","","0.0774","0.0866","","","","","","1.018","","","","has coordinates","178869","2020-10-21","18:00:00",""
"7224680","14.094","0.005","17.248","0.005","22.357","0.005","90","0.005","90","0.005","90","0.005","5435","3","298","","298","","","","","","","","","5","P b c n","-P 2n 2ab","60","Cd-muc-bpee","Cd-MOF 2","","- C24 H19 Cd N3 O4 -","- C24 H19 Cd N3 O4 -","- C192 H152 Cd8 N24 O32 -","8","1","","Ugale, Bharat; Nagaraja, C. M.","Construction of 2D interwoven and 3D metal‒organic frameworks (MOFs) of Cd(ii): the effect of ancillary ligands on the structure and the catalytic performance for the Knoevenagel reaction","RSC Adv.","2016","6","34","28854","","10.1039/C6RA01647B","","","0.71073","MoKα","","0.1064","0.0634","","","0.1311","0.1431","","","","","","1.102","","","","has coordinates","178869","2020-10-21","18:00:00",""
"7224681","7.997","0.003","11.806","0.004","17.95","0.005","90","","90","","90","","1694.7","1","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","chiral (trifluoromethyl)dihydrofuranone","(4S,5S)-5-benzoyl-4-phenyl-5-(trifluoromethyl)dihydrofuran-2(3H)-one","","- C18 H12 Cl F3 O3 -","- C18 H12 Cl F3 O3 -","- C72 H48 Cl4 F12 O12 -","4","1","","He, Xiang-Hong; Yang, Lei; Huang, Wei; Zhao, Qian; Pan, Xiao-Li; Jiang, Dao-Feng; Yang, Ming-Cheng; Peng, Cheng; Han, Bo","Catalytic cross-benzoin/Michael/acetalization cascade for asymmetric synthesis of trifluoromethylated γ-butyrolactones","RSC Adv.","2016","6","34","28960","","10.1039/C6RA03571J","","","0.71073","MoKα","","0.0843","0.0442","","","0.0916","0.1062","","","","","","1.032","","","","has coordinates","178870","2020-10-21","18:00:00",""
"7224682","7.075148","0.000088","5.664368","0.000077","9.73139","0.00013","90","","90","","90","","389.998","0.009","300","","300","","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- Eu0.13 O16 Si4 Sr7.89 -","- Eu0.12 O16 Si4 Sr7.88 -","- Eu0.12 O16 Si4 Sr7.88 -","1","0.125","","Zhiguo Xia; Shihai Miao; Maxim S. Molokeev; Mingyue Chen; Quanlin Liu","Structure and luminescence properties of Eu2+ doped LuxSr2-xSiNxO4-x phosphors evolved from chemical unit cosubstitution","Journal of Materials Chemistry C","2016","4","0","1336","1344","10.1039/C5TC04222D","powder diffraction","x-ray","1.5406","CuKα~1~~2~","","","","","","","","","1.88","1.43","","","","","","","has coordinates,has Fobs","205493","2020-10-21","18:00:00",""
"7224683","7.073702","0.000073","5.667776","0.000061","9.73626","0.0001","90","","90","","90","","390.348","0.007","300","","300","","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- Eu0.12 Lu0.02 O16 Si4 Sr7.86 -","- Eu0.13 Lu0.01 O16 Si4 Sr7.86 -","- Eu0.13 Lu0.01 O16 Si4 Sr7.86 -","1","0.125","","Zhiguo Xia; Shihai Miao; Maxim S. Molokeev; Mingyue Chen; Quanlin Liu","Structure and luminescence properties of Eu2+ doped LuxSr2-xSiNxO4-x phosphors evolved from chemical unit cosubstitution","Journal of Materials Chemistry C","2016","4","0","1336","1344","10.1039/C5TC04222D","powder diffraction","x-ray","1.5406","CuKα~1~~2~","","","","","","","","","2.09","1.609","","","","","","","has coordinates,has Fobs","205493","2020-10-21","18:00:00",""
"7224684","12.058912","0.000096","12.058912","0.000096","12.058912","0.000096","90","","90","","90","","1753.58","0.02","300","","300","","","","","","","","","6","I a -3 d","-I 4bd 2c 3","230","","","","- Al24 Ce0.48 Mg8 O96 Si8 Y23.52 -","- Al24 Ce0.48 Mg8 O96 Si8 Y23.52 -","- Al24 Ce0.48 Mg8 O96 Si8 Y23.52 -","1","0.0104167","","Haipeng Ji; Le Wang; Maxim Molokeev; Naoto Hirosaki; Zhaohui Huang; Zhiguo Xia; Otmar Melvin ten Kate; Lihong Liu; Rong-Jun Xie","New garnet structure phosphors, Lu3-xYxMgAl3SiO12:Ce3+ (x = 0, 1, 2, 3), developed by solid solution design","Journal of Materials Chemistry C","2016","4","12","2359","2366","10.1039/c6tc00089d","powder diffraction","x-ray","1.5406","CuKα~1~~2~","","","","","","","","","1.96","1.602","","","","","","","has coordinates,has Fobs","205493","2020-10-21","18:00:00",""
"7224685","12.02572","0.00011","12.02572","0.00011","12.02572","0.00011","90","","90","","90","","1739.13","0.03","300","","300","","","","","","","","","7","I a -3 d","-I 4bd 2c 3","230","","","","- Al24 Ce0.48 Lu7.84 Mg8 O96 Si8 Y15.68 -","- Al24 Ce0.48 Lu7.84 Mg8 O96 Si8 Y15.68 -","- Al24 Ce0.48 Lu7.84 Mg8 O96 Si8 Y15.68 -","1","0.0104167","","Haipeng Ji; Le Wang; Maxim Molokeev; Naoto Hirosaki; Zhaohui Huang; Zhiguo Xia; Otmar Melvin ten Kate; Lihong Liu; Rong-Jun Xie","New garnet structure phosphors, Lu3-xYxMgAl3SiO12:Ce3+ (x = 0, 1, 2, 3), developed by solid solution design","Journal of Materials Chemistry C","2016","4","12","2359","2366","10.1039/c6tc00089d","powder diffraction","x-ray","1.5406","CuKα~1~~2~","","","","","","","","","1.62","1.429","","","","","","","has coordinates,has Fobs","205493","2020-10-21","18:00:00",""
"7224686","11.995183","0.000062","11.995183","0.000062","11.995183","0.000062","90","","90","","90","","1725.92","0.015","300","","300","","","","","","","","","7","I a -3 d","-I 4bd 2c 3","230","","","","- Al24 Ce0.48 Lu15.68 Mg8 O96 Si8 Y7.84 -","- Al24 Ce0.48 Lu15.68 Mg8 O96 Si8 Y7.84 -","- Al24 Ce0.48 Lu15.68 Mg8 O96 Si8 Y7.84 -","1","0.0104167","","Haipeng Ji; Le Wang; Maxim Molokeev; Naoto Hirosaki; Zhaohui Huang; Zhiguo Xia; Otmar Melvin ten Kate; Lihong Liu; Rong-Jun Xie","New garnet structure phosphors, Lu3-xYxMgAl3SiO12:Ce3+ (x = 0, 1, 2, 3), developed by solid solution design","Journal of Materials Chemistry C","2016","4","12","2359","2366","10.1039/c6tc00089d","powder diffraction","x-ray","1.5406","CuKα~1~~2~","","","","","","","","","1.73","1.451","","","","","","","has coordinates,has Fobs","205493","2020-10-21","18:00:00",""
"7224687","11.959576","0.000064","11.959576","0.000064","11.959576","0.000064","90","","90","","90","","1710.6","0.016","300","","300","","","","","","","","","6","I a -3 d","-I 4bd 2c 3","230","","","","- Al24 Ce0.48 Lu23.52 Mg8 O96 Si8 -","- Al24 Ce0.48 Lu23.52 Mg8 O96 Si8 -","- Al24 Ce0.48 Lu23.52 Mg8 O96 Si8 -","1","0.0104167","","Haipeng Ji; Le Wang; Maxim Molokeev; Naoto Hirosaki; Zhaohui Huang; Zhiguo Xia; Otmar Melvin ten Kate; Lihong Liu; Rong-Jun Xie","New garnet structure phosphors, Lu3-xYxMgAl3SiO12:Ce3+ (x = 0, 1, 2, 3), developed by solid solution design","Journal of Materials Chemistry C","2016","4","12","2359","2366","10.1039/c6tc00089d","powder diffraction","x-ray","1.5406","CuKα~1~~2~","","","","","","","","","1.88","1.289","","","","","","","has coordinates,has Fobs","205493","2020-10-21","18:00:00",""
"7224690","9.43197","0.00015","9.43197","0.00015","6.92605","0.00012","90","","90","","120","","533.606","0.015","300","","300","","","","","","","","","6","P 63/m","-P 6c","176","","","","- Ca8.88 F2 La1.12 O24 P5 Si -","- Ca8.884 F2 La1.116 O24 P5 Si -","- Ca8.884 F2 La1.116 O24 P5 Si -","1","0.0833333","","Haikun Liu; Libing Liao; Maxim S. Molokeev; Qingfeng Guo; Yuanyuan Zhang; Lefu Mei","A novel single-phase white light emitting phosphor Ca9La(PO4)5(SiO4)F2:Dy3+: synthesis, crystal structure and luminescence properties","RSC Advances","2016","6","0","24577","24583","10.1039/c5ra23348h","powder diffraction","x-ray","1.5406","CuKα~1~~2~","","","","","","","","","1.63","1.691","","","","","","","has coordinates,has Fobs","205493","2020-10-21","18:00:00",""
"7224691","9.42716","0.00015","9.42716","0.00015","6.92158","0.00012","90","","90","","120","","532.718","0.015","300","","300","","","","","","","","","7","P 63/m","-P 6c","176","","","","- Ca8.98 Dy0.11 F2 La0.92 O24 P5 Si -","- Ca8.9758 Dy0.10242 F2 La0.9212 O24 P5 Si -","- Ca8.9758 Dy0.10242 F2 La0.9212 O24 P5 Si -","1","0.0833333","","Haikun Liu; Libing Liao; Maxim S. Molokeev; Qingfeng Guo; Yuanyuan Zhang; Lefu Mei","A novel single-phase white light emitting phosphor Ca9La(PO4)5(SiO4)F2:Dy3+: synthesis, crystal structure and luminescence properties","RSC Advances","2016","6","0","24577","24583","10.1039/c5ra23348h","powder diffraction","x-ray","1.5406","CuKα~1~~2~","","","","","","","","","2.11","1.53","","","","","","","has coordinates,has Fobs","205493","2020-10-21","18:00:00",""
"7224692","14.0292","0.0009","5.0669","0.0004","14.7229","0.0011","90","","99.433","0.007","90","","1032.42","0.13","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C26 H22 N2 O4 -","- C26 H22 N2 O4 -","- C52 H44 N4 O8 -","2","0.5","","Safin, Damir A.; Robeyns, Koen; Babashkina, Maria G.; Filinchuk, Yaroslav; Rotaru, Aurelian; Jureschi, Catalin; Mitoraj, Mariusz P.; Hooper, James; Brela, Mateusz; Garcia, Yann","Polymorphism driven optical properties of an anil dye","CrystEngComm","2016","18","38","7249","","10.1039/C6CE00266H","","","0.71073","MoKα","","0.062","0.0567","","","0.1437","0.1476","","","","","","1.081","","","","has coordinates","187029","2020-10-21","18:00:00",""
"7224693","6.7362","0.0006","24.2039","0.0015","6.8686","0.0005","90","","112.293","0.009","90","","1036.17","0.15","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C26 H22 N2 O4 -","- C26 H22 N2 O4 -","- C52 H44 N4 O8 -","2","0.5","","Safin, Damir A.; Robeyns, Koen; Babashkina, Maria G.; Filinchuk, Yaroslav; Rotaru, Aurelian; Jureschi, Catalin; Mitoraj, Mariusz P.; Hooper, James; Brela, Mateusz; Garcia, Yann","Polymorphism driven optical properties of an anil dye","CrystEngComm","2016","18","38","7249","","10.1039/C6CE00266H","","","0.71073","MoKα","","0.0519","0.0411","","","0.0985","0.1073","","","","","","1.074","","","","has coordinates","187029","2020-10-21","18:00:00",""
"7224694","7.3636","0.0001","11.5643","0.0002","12.4114","0.0002","63.403","0.001","86.766","0.001","78.916","0.001","926.89","0.03","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","","","- C24 H17 N3 O3 -","- C24 H17 N3 O3 -","- C48 H34 N6 O6 -","2","1","","Fershtat, Leonid; Larin, Alexander; Epishina, Margarita; Ovchinnikov, Igor; Kulikov, Alexander; Ananyev, Ivan V.; Makhova, Nina","Design of hybrid heterocyclic systems with furoxanylpyridine core via tandem hetero-Diels‒Alder/retro-Diels‒Alder reactions of (1,2,4-triazin-3-yl)furoxans","RSC Adv.","2016","","","","","10.1039/C6RA05110C","","","1.54178","CuKα","","0.0348","0.0315","","","0.0884","0.0917","","","","","","1.024","","","","has coordinates","179295","2020-10-21","18:00:00",""
"7224695","17.5402","0.001","17.5402","0.001","17.5402","0.001","90","","90","","90","","5396.4","0.5","293","2","293","2","","","","","","","","7","I m -3 m","-I 4 2 3","229","","","","- C36 H122 N24 Ni4 O46 P V18 -","- C36 N24 Ni4 O46 P V18 -","- C72 N48 Ni8 O92 P2 V36 -","2","0.0208333","","zhou, Yang-Yang; Kong, Ya-jie; Jia, Qianqian; Yao, shuang; Yan, Jinghui","Supermolecular assembly of polyoxoanion and metal-organic cationic units towards model of core‒shell nanostructure","RSC Adv.","2016","","","","","10.1039/C6RA00223D","","","0.71073","MoKα","","0.1044","0.074","","","0.2133","0.2484","","","","","","1.082","","","","has coordinates","179296","2020-10-21","18:00:00",""
"7224696","11.7978","0.0009","26.8599","0.0019","23.7929","0.0017","90","","90","","90","","7539.7","1","293","2","293","2","","","","","","","","7","P n m a","-P 2ac 2n","62","","","","- C24 H89 N16 Ni4 O50 P V18 -","- C24 H74 N16 Ni4 O50 P V18 -","- C96 H296 N64 Ni16 O200 P4 V72 -","4","0.5","","zhou, Yang-Yang; Kong, Ya-jie; Jia, Qianqian; Yao, shuang; Yan, Jinghui","Supermolecular assembly of polyoxoanion and metal-organic cationic units towards model of core‒shell nanostructure","RSC Adv.","2016","","","","","10.1039/C6RA00223D","","","0.71073","MoKα","","0.1076","0.0729","","","0.1484","0.1666","","","","","","1.086","","","","has coordinates,has disorder","179296","2020-10-21","18:00:00",""
"7224697","16.204","0.003","19.565","0.004","7.4534","0.0017","90","","90","","90","","2363","0.8","296","2","296","2","","","","","","","","5","P n a 21","P 2c -2n","33","1a","1a","","- C29 H25 B F2 N2 -","- C29 H25 B F2 N2 -","- C116 H100 B4 F8 N8 -","4","1","","Gai, Lizhi; Chen, Jingzhi; Zhao, Yue; Mack, John; Lu, Hua; Shen, Zhen","Synthesis and properties of azulene-functionalized BODIPYs","RSC Adv.","2016","","","","","10.1039/C6RA00743K","","","0.71073","MoKα","","0.0859","0.0442","","","0.0924","0.112","","","","","","0.98","","","","has coordinates","179297","2020-10-21","18:00:00",""
"7224698","11.913","0.0005","8.4877","0.0003","21.1543","0.0009","90","","104.391","0.001","90","","2071.88","0.14","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H17 N4 O3 P -","- C24 H17 N4 O3 P -","- C96 H68 N16 O12 P4 -","4","1","","Shaban Ragab, Sherif; Thapaliya, Ek Raj; Zhang, Yang; Tang, Sicheng; McMahan, Jeffrey Blye; Syed, Sheyum; Captain, Burjor; Raymo, Francisco M.","Synthesis in Living Cells with the Assistance of Supramolecular Nanocarriers","RSC Adv.","2016","","","","","10.1039/C6RA04335F","","","0.71073","MoKα","","0.0487","0.0391","","","0.1078","0.1153","","","","","","1.035","","","","has coordinates","179298","2020-10-21","18:00:00",""
"7224699","7.9086","0.0008","9.3782","0.0009","13.0792","0.0008","93.991","0.006","93.766","0.006","94.466","0.008","962.3","0.15","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- C22 H28 O3 -","- C22 H28 O3 -","- C44 H56 O6 -","2","1","","Shao, Jidong; Li, Li-Qi; Zhang, Jie; Hu, Jingping; XUE, Jijun; Li, Ying","Alkynylation/Dearomatizative Cyclization to Construct Spiro[5.5]undecanes","RSC Adv.","2016","","","","","10.1039/C6RA02463G","","","0.71073","MoKα","","0.0935","0.0616","","","0.1482","0.1789","","","","","","1.032","","","","has coordinates","179299","2020-10-21","18:00:00",""
"7224700","21.981","0.0003","21.981","0.0003","10.9904","0.0003","90","","90","","90","","5310.17","0.18","294","2","294","2","","","","","","","synthetic","5","I 4","I 4","79","N-(3'-acetyl-17-oxospiro[19-norandrost-4-ene-3,2'-[1,3,4]-thiadiazoline]-5'-yl)acetamide","N-(3'-acetyl-17-oxospiro[19-norandrost-4-ene-3,2'-[1,3,4]-thiadiazoline]-5'-yl)acetamide","","- C23 H31 N3 O3 S -","- C23 H31 N3 O3 S -","- C184 H248 N24 O24 S8 -","8","1","","Živković, Marijana B; Matić, Ivana Z; Rodić, Marko V; Novaković, Irena T; Sladić, Dušan; Krstic, Natalija","Synthesis, characterization and in vitro cytotoxic activities of new steroidal thiosemicarbazones and thiadiazolines","RSC Adv.","2016","","","","","10.1039/C6RA01516F","","x-ray","0.71073","MoKα","","0.0716","0.0548","","","0.1386","0.1486","","","","","","1.066","","","","has coordinates","179301","2020-10-21","18:00:00",""
"7224701","10.4247","0.0005","13.3796","0.0007","15.0146","0.0007","71.1","0.002","69.931","0.002","76.203","0.002","1841.79","0.16","223","2","223","2","","","","","","","","7","P -1","-P 1","2","","","","- C44 H78 Ca2 Cd2 Cl8 N24 O25 -","- C44 H52 Ca2 Cd2 Cl8 N24 O22 -","- C44 H52 Ca2 Cd2 Cl8 N24 O22 -","1","0.5","","Shen, Fang-Fang; Wang, Chuan-Zeng; Zhao, Wen-Xuan; Zhang, Yun-Qian; Xue, Sai-Feng; Zhu, Qian-Jiang; Tao, Zhu; Lindoy, Leonard F.; Wei, Gang","Coordination of alkaline-earth metal cations to a symmetrical octamethyl-substituted cucurbituril in the presence of polychlorido cadmium(ii) anions","CrystEngComm","2016","18","26","4988","","10.1039/C6CE00255B","","","0.71073","MoKα","","0.0461","0.0423","","","0.1188","0.1216","","","","","","1.039","","","","has coordinates","185204","2020-10-21","18:00:00",""
"7224702","10.694","0.019","13.459","0.023","15.1057","0.0027","99.314","0.028","107.545","0.018","105.669","0.018","1925","5","223","2","223","2","","","","","","","","7","P -1","-P 1","2","","","","- C44 H92 Cd2 Cl8 N24 O32 Sr2 -","- C44 H52 Cd2 Cl8 N24 O24 Sr2 -","- C44 H52 Cd2 Cl8 N24 O24 Sr2 -","1","0.5","","Shen, Fang-Fang; Wang, Chuan-Zeng; Zhao, Wen-Xuan; Zhang, Yun-Qian; Xue, Sai-Feng; Zhu, Qian-Jiang; Tao, Zhu; Lindoy, Leonard F.; Wei, Gang","Coordination of alkaline-earth metal cations to a symmetrical octamethyl-substituted cucurbituril in the presence of polychlorido cadmium(ii) anions","CrystEngComm","2016","18","26","4988","","10.1039/C6CE00255B","","","0.71073","MoKα","","0.0782","0.0675","","","0.2033","0.2125","","","","","","1.076","","","","has coordinates","185204","2020-10-21","18:00:00",""
"7224703","15.676","0.003","17.177","0.004","20.2","0.004","92.786","0.003","105.91","0.003","116.818","0.003","4573.2","1.7","223","2","223","2","","","","","","","","7","P -1","-P 1","2","","","","- C44 H130 Ba2 Cd Cl6 N24 O51 -","- C44 H52 Ba2 Cd Cl6 N24 O19 -","- C88 H104 Ba4 Cd2 Cl12 N48 O38 -","2","1","","Shen, Fang-Fang; Wang, Chuan-Zeng; Zhao, Wen-Xuan; Zhang, Yun-Qian; Xue, Sai-Feng; Zhu, Qian-Jiang; Tao, Zhu; Lindoy, Leonard F.; Wei, Gang","Coordination of alkaline-earth metal cations to a symmetrical octamethyl-substituted cucurbituril in the presence of polychlorido cadmium(ii) anions","CrystEngComm","2016","18","26","4988","","10.1039/C6CE00255B","","","0.71073","MoKα","","0.1135","0.0594","","","0.1469","0.1651","","","","","","0.818","","","","has coordinates,has disorder","185204","2020-10-21","18:00:00",""
"7224704","16.5763","0.0014","8.0259","0.0007","15.6946","0.0013","90","","109.896","0.002","90","","1963.4","0.3","273","2","273","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","6o","","- C21 H20 Br N3 O2 -","- C21 H20 Br N3 O2 -","- C84 H80 Br4 N12 O8 -","4","1","","Yang, Meng-Ru; Qin, Ya-Juan; Chen, Chen; Zhang, Ya-Liang; Li, Bo-Yan; Liu, Tian-Bao; Gong, Hai-Bin; Wang, Bao-Zhong; Zhu, Hai-Liang","Synthesis, biological evaluation and molecular docking studies of novel 1-(4,5-dihydro-1H-pyrazol-1-yl)ethanone-containing 1-methylindol derivatives as potential tubulin assembling inhibitors","RSC Adv.","2016","6","36","30412","","10.1039/C5RA28141E","","","0.71073","MoKα","","0.0821","0.0494","","","0.11","0.1265","","","","","","1.05","","","","has coordinates","179645","2020-10-21","18:00:00",""
"7224705","26.0008","0.0011","9.3211","0.0004","15.3597","0.0008","90","","113.385","0.0014","90","","3416.7","0.3","100","","100","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C19 H17 Cl I N O0.5 -","- C19 H17 Cl I N O0.5 -","- C152 H136 Cl8 I8 N8 O4 -","8","1","","Siva, Karthigha; Kalainathan, S.; Yamada, Manabu; Kondo, Yoshihiko; Hamada, Fumio","Synthesis, growth and third-order nonlinear optical properties of quinolinium single crystal-PCLQI","RSC Adv.","2016","","","","","10.1039/C6RA05055G","","","0.71075","MoKα","","","0.0165","","","","0.0414","","","","","","1.082","","","","has coordinates","206958","2020-10-21","18:00:00",""
"7224706","19.106","0.007","15.504","0.007","18.03","0.03","90","","95.648","0.015","90","","5315","9","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","1,2-Diazabicyclo(2.2.2)octane bis(thiourea)","1,2-Diazabicyclo(2.2.2)octane bis(thiourea)","","- C8 H20 N6 S2 -","- C8 H20 N6 S2 -","- C128 H320 N96 S32 -","16","2","","Ji, Chengmin; Li, Shenhui; Deng, Feng; Liu, Sijie; Asghar, Muhammad Adnan; Sun, Zhihua; Hong, Maochun; Luo, Junhua","Bistable N-HN hydrogen bonds for reversibly modulating the dynamic motion in an organic co-crystal.","Physical chemistry chemical physics : PCCP","2016","18","16","10868","10872","10.1039/c6cp01073c","","","0.71073","MoKα","","0.1099","0.0972","","","0.2683","0.2933","","","","","","1.084","","","","has coordinates,has disorder","182799","2020-10-21","18:00:00",""
"7224707","9.685","0.006","7.867","0.005","18.241","0.011","90","","95.266","0.011","90","","1384","1.5","298","2","298","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","1,2-Diazabicyclo(2.2.2)octane bis(thiourea)","1,2-Diazabicyclo(2.2.2)octane bis(thiourea)","","- C8 H20 N6 S2 -","- C8 H20 N6 S2 -","- C32 H80 N24 S8 -","4","0.5","","Ji, Chengmin; Li, Shenhui; Deng, Feng; Liu, Sijie; Asghar, Muhammad Adnan; Sun, Zhihua; Hong, Maochun; Luo, Junhua","Bistable N-HN hydrogen bonds for reversibly modulating the dynamic motion in an organic co-crystal.","Physical chemistry chemical physics : PCCP","2016","18","16","10868","10872","10.1039/c6cp01073c","","","0.71073","MoKα","","0.0597","0.0409","","","0.1154","0.1367","","","","","","0.893","","","","has coordinates","182799","2020-10-21","18:00:00",""
"7224708","5.7328","0.0009","24.849","0.004","14.405","0.002","90","","91.123","0.002","90","","2051.7","0.5","293","2","293","2","","","","","","","Synthesis","5","P 1 21/c 1","-P 2ybc","14","","Cadmiumtriphenylphosphonate","","- C18 H19 Cd O9 P3 -","- C18 H19 Cd O9 P3 -","- C72 H76 Cd4 O36 P12 -","4","1","","Wilke, Manuel; Batzdorf, Lisa; Fischer, Franziska; Rademann, Klaus; Emmerling, Franziska","Cadmium phenylphosphonates: preparation, characterisation and in situ investigation","RSC Adv.","2016","","","","","10.1039/C6RA01080F","powder diffraction","","1.5406","CuKα","","0.0053","0.0053","","","0.033","0.0331","","2.084","4","","","0.93","","","","has coordinates","179722","2020-10-21","18:00:00",""
"7224709","16.1586","0.0016","5.60337","0.00054","4.46652","0.00033","119.604","0.0072","94.4432","0.0077","101.789","0.008","336.56","0.06","293","","293","","","","","","","","mechanochemical synthesis","5","P -1","-P 1","2","Cadmiumhydrogenphenylphosphonate","","CdPhP2","- C12 H10 Cd O6 P2 -","- C12 H10 Cd O6 P2 -","- C12 H10 Cd O6 P2 -","1","0.5","","Wilke, Manuel; Batzdorf, Lisa; Fischer, Franziska; Rademann, Klaus; Emmerling, Franziska","Cadmium phenylphosphonates: preparation, characterisation and in situ investigation","RSC Adv.","2016","","","","","10.1039/C6RA01080F","powder diffraction","x-ray","1.5406","CuKα","","","","","","","","","2.694","5.08","","","","","","","has coordinates","179722","2020-10-21","18:00:00",""
"7224710","5.9198","0.0012","15.753","0.003","16.19","0.003","90","","91.91","0.03","90","","1509","0.5","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","5-NTT1","","","- C15 H13 N3 O2 S2 -","- C15 H13 N3 O2 S2 -","- C60 H52 N12 O8 S8 -","4","1","","Radhakrishnan, Rakesh; Kumaran, Sreejalekshmi Girija","Fluorophores Based on a Minimal Thienylthiazole Core: Towards Multifunctional Materials with Solid State Red Emissions, Solvatochromism and AIE Behaviour","RSC Adv.","2016","","","","","10.1039/C6RA00672H","","","0.71073","MoKα","","0.0844","0.0487","","","0.0982","0.1152","","","","","","1.016","","","","has coordinates","179723","2020-10-21","18:00:00",""
"7224711","12.6077","0.0007","7.6101","0.0004","36.685","0.002","90","","90","","90","","3519.8","0.3","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","5-TPTZ-2","5-(5-nitrothiophen-2-yl)-4-phenyl-2-(piperidin-1-yl)thiazole","","- C18 H17 N3 O2 S2 -","- C18 H17 N3 O2 S2 -","- C144 H136 N24 O16 S16 -","8","1","","Radhakrishnan, Rakesh; Kumaran, Sreejalekshmi Girija","Fluorophores Based on a Minimal Thienylthiazole Core: Towards Multifunctional Materials with Solid State Red Emissions, Solvatochromism and AIE Behaviour","RSC Adv.","2016","","","","","10.1039/C6RA00672H","","","0.71073","MoKα","","0.0866","0.0499","","","0.1015","0.1155","","","","","","1.058","","","","has coordinates","179723","2020-10-21","18:00:00",""
"7224712","5.5393","0.0003","10.8879","0.0005","17.6155","0.001","76.715","0.004","87.017","0.003","86.648","0.003","1031.4","0.1","296","2","296","2","","","","","","","","5","P -1","-P 1","2","5-TPTZ-3","4-(furan-2-yl)-5-(5-nitrothiophen-2-yl)-N,N-diphenylthiazol-2-amine","","- C23 H15 N3 O3 S2 -","- C23 H15 N3 O3 S2 -","- C46 H30 N6 O6 S4 -","2","1","","Radhakrishnan, Rakesh; Kumaran, Sreejalekshmi Girija","Fluorophores Based on a Minimal Thienylthiazole Core: Towards Multifunctional Materials with Solid State Red Emissions, Solvatochromism and AIE Behaviour","RSC Adv.","2016","","","","","10.1039/C6RA00672H","","","0.71073","MoKα","","0.0698","0.0399","","","0.0822","0.0993","","","","","","1.04","","","","has coordinates","179723","2020-10-21","18:00:00",""
"7224713","8.6678","0.0013","16.756","0.003","18.108","0.003","90","","90","","90","","2630","0.8","90","2","90","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","Piv-Aib-L-Pro-SAnt-NH-IBu","","- C24 H38 N4 O5 S -","- C24 H38 N4 O5 S -","- C96 H152 N16 O20 S4 -","4","1","","Jedhe, Ganesh S.; Vijayadas, Kuruppanthara N.; Kotmale, Amol; Sangtani, Ekta; Shinde, Dinesh R.; Gonnade, Rajesh G.; Rajamohanan, Pattuparambil R.; Sanjayan, G. J.","Residue dependent hydrogen bonding preferences in orthanilic acid-based short peptide β-turn motifs","RSC Adv.","2016","","","","","10.1039/C6RA05684A","","","0.71073","MoKα","","0.0945","0.0656","","","0.1434","0.1696","","","","","","1.041","","","","has coordinates","179725","2020-10-21","18:00:00",""
"7224714","11.074","0.003","9.322","0.002","12.53","0.003","90","","107.562","0.014","90","","1233.2","0.5","200","2","200","2","","","","","","","","5","P 1 21 1","P 2yb","4","","Piv-Gly-L-Pro-SAnt-NH-IBu","","- C22 H34 N4 O5 S -","- C22 H34 N4 O5 S -","- C44 H68 N8 O10 S2 -","2","1","","Jedhe, Ganesh S.; Vijayadas, Kuruppanthara N.; Kotmale, Amol; Sangtani, Ekta; Shinde, Dinesh R.; Gonnade, Rajesh G.; Rajamohanan, Pattuparambil R.; Sanjayan, G. J.","Residue dependent hydrogen bonding preferences in orthanilic acid-based short peptide β-turn motifs","RSC Adv.","2016","","","","","10.1039/C6RA05684A","","","0.71073","MoKα","","0.0429","0.0387","","","0.0828","0.0849","","","","","","1.062","","","","has coordinates","179725","2020-10-21","18:00:00",""
"7224715","10.3453","0.0004","11.3579","0.0004","11.0517","0.0004","90","","95.026","0.002","90","","1293.59","0.08","200","2","200","2","","","","","","","","5","P 1 21 1","P 2yb","4","","Piv-D-Pro-L-Pro-SAnt-NH-IBu","","- C25 H38 N4 O5 S -","- C25 H38 N4 O5 S -","- C50 H76 N8 O10 S2 -","2","1","","Jedhe, Ganesh S.; Vijayadas, Kuruppanthara N.; Kotmale, Amol; Sangtani, Ekta; Shinde, Dinesh R.; Gonnade, Rajesh G.; Rajamohanan, Pattuparambil R.; Sanjayan, G. J.","Residue dependent hydrogen bonding preferences in orthanilic acid-based short peptide β-turn motifs","RSC Adv.","2016","","","","","10.1039/C6RA05684A","","","0.71073","MoKα","","0.0328","0.0306","","","0.0679","0.0689","","","","","","1.053","","","","has coordinates","179725","2020-10-21","18:00:00",""
"7224716","11.0729","0.0004","11.2306","0.0004","23.8209","0.0009","90","","90","","90","","2962.26","0.19","200","2","200","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","Piv-L-tert-Leu-L-Pro-SAnt-NH-IBu","","- C26 H42 N4 O5 S -","- C26 H42 N4 O5 S -","- C104 H168 N16 O20 S4 -","4","1","","Jedhe, Ganesh S.; Vijayadas, Kuruppanthara N.; Kotmale, Amol; Sangtani, Ekta; Shinde, Dinesh R.; Gonnade, Rajesh G.; Rajamohanan, Pattuparambil R.; Sanjayan, G. J.","Residue dependent hydrogen bonding preferences in orthanilic acid-based short peptide β-turn motifs","RSC Adv.","2016","","","","","10.1039/C6RA05684A","","","0.71073","MoKα","","0.0589","0.0488","","","0.114","0.1199","","","","","","1.084","","","","has coordinates,has disorder","179725","2020-10-21","18:00:00",""
"7224717","9.9914","0.0002","21.9595","0.0004","14.1883","0.0003","90","","109.928","0.001","90","","2926.6","0.1","200","2","200","2","","","","","","","","5","P 1 21 1","P 2yb","4","","Boc-L-tert-Leu-L-Pro-SAnt-NH-IBu","","- C26 H42 N4 O6 S -","- C26 H42 N4 O6 S -","- C104 H168 N16 O24 S4 -","4","2","","Jedhe, Ganesh S.; Vijayadas, Kuruppanthara N.; Kotmale, Amol; Sangtani, Ekta; Shinde, Dinesh R.; Gonnade, Rajesh G.; Rajamohanan, Pattuparambil R.; Sanjayan, G. J.","Residue dependent hydrogen bonding preferences in orthanilic acid-based short peptide β-turn motifs","RSC Adv.","2016","","","","","10.1039/C6RA05684A","","","0.71073","MoKα","","0.0561","0.0467","","","0.0759","0.0796","","","","","","1.07","","","","has coordinates","179725","2020-10-21","18:00:00",""
"7224718","7.8517","0.001","14.459","0.002","11.5168","0.0016","90","","90","","90","","1307.5","0.3","296","2","296","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C16 H16 N2 O2 -","- C16 H16 N2 O2 -","- C64 H64 N8 O8 -","4","1","","Patil, Nitin T.; Inamdar, Suleman M.; Chakrabarty, Indradweep","A Unified Approach to Pyrrole-Embedded Aza-Heterocyclic Scaffolds Based on RCM/Isomerization/Cyclization Cascade Catalyzed by Ru/B-H Binary Catalyst System","RSC Adv.","2016","","","","","10.1039/C6RA05646F","","","0.71073","MoKα","","0.0701","0.0602","","","0.1508","0.1581","","","","","","1.11","","","","has coordinates","179726","2020-10-21","18:00:00",""
"7224719","8.0565","0.0017","9.148","0.002","10.828","0.002","79.929","0.014","71.859","0.013","66.783","0.013","695.7","0.3","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C18 H15 N3 O -","- C18 H15 N3 O -","- C36 H30 N6 O2 -","2","1","","Patil, Nitin T.; Inamdar, Suleman M.; Chakrabarty, Indradweep","A Unified Approach to Pyrrole-Embedded Aza-Heterocyclic Scaffolds Based on RCM/Isomerization/Cyclization Cascade Catalyzed by Ru/B-H Binary Catalyst System","RSC Adv.","2016","","","","","10.1039/C6RA05646F","","","0.71073","MoKα","","0.0683","0.059","","","0.1674","0.1776","","","","","","1.077","","","","has coordinates","179726","2020-10-21","18:00:00",""
"7224720","9.3684","0.0002","16.6936","0.0003","18.2672","0.0004","83.1135","0.001","88.7925","0.001","87.0863","0.0008","2832.25","0.1","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","[Tb(MAA)3(phen)]","","- C27 H29 N2 O9 Tb -","- C27 H29 N2 O9 Tb -","- C108 H116 N8 O36 Tb4 -","4","2","","Bortoluzzi, Marco; Reolon, Andrea; Castro, Jesús; Enrichi, Francesco; Albertin, Gabriele; Bragato, Carlo","The conjugate base of methyl 3-oxobutanoate as antenna-ligand in visible-emitting photoluminescent lanthanide complexes","RSC Adv.","2016","","","","","10.1039/C6RA01741J","","","1.54178","CuKα","","0.0698","0.0496","","","0.1252","0.1436","","","","","","1.063","","","","has coordinates","179727","2020-10-21","18:00:00",""
"7224721","13.1594","0.0006","16.6828","0.0008","16.7793","0.0008","88.5817","0.0016","72.2913","0.0014","66.8382","0.0014","3207.3","0.3","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","[Yb(MAA)3(phen)]","","- C27 H29 N2 O9 Yb -","- C27 H29 N2 O9 Yb -","- C108 H116 N8 O36 Yb4 -","4","2","","Bortoluzzi, Marco; Reolon, Andrea; Castro, Jesús; Enrichi, Francesco; Albertin, Gabriele; Bragato, Carlo","The conjugate base of methyl 3-oxobutanoate as antenna-ligand in visible-emitting photoluminescent lanthanide complexes","RSC Adv.","2016","","","","","10.1039/C6RA01741J","","","1.54178","CuKα","","0.0385","0.035","","","0.0998","0.1043","","","","","","1.036","","","","has coordinates","179727","2020-10-21","18:00:00",""
"7224722","5.059","0.005","10.704","0.012","11.363","0.012","90","","101.62","0.02","90","","602.7","1.1","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C12 H13 F O4 -","- C12 H13 F O4 -","- C24 H26 F2 O8 -","2","1","","Mo, Yuanzhao; Nie, HuiFang; Lei, Yang; Zhang, Dongxu; Li, XiaoYe; Wang, QiaoFeng; zhang, shengyong","Asymmetric Transfer Hydrogenation of γ-aryl α, γ-dioxo-butyric acid esters","RSC Adv.","2016","","","","","10.1039/C6RA02500E","","","0.71073","MoKα","","0.1518","0.0777","","","0.1627","0.1941","","","","","","1.064","","","","has coordinates","179728","2020-10-21","18:00:00",""
"7224723","5.0181","0.0011","11.253","0.002","22.901","0.005","90","","90.618","0.004","90","","1293.1","0.5","296","2","296","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C13 H16 O5 -","- C13 H16 O5 -","- C52 H64 O20 -","4","2","","Mo, Yuanzhao; Nie, HuiFang; Lei, Yang; Zhang, Dongxu; Li, XiaoYe; Wang, QiaoFeng; zhang, shengyong","Asymmetric Transfer Hydrogenation of γ-aryl α, γ-dioxo-butyric acid esters","RSC Adv.","2016","","","","","10.1039/C6RA02500E","","","0.71073","MoKα","","0.0868","0.0538","","","0.1144","0.1303","","","","","","1.035","","","","has coordinates","179728","2020-10-21","18:00:00",""
"7224724","5.947","0.003","8.068","0.008","13.411","0.005","90","","95.94","0.03","90","","640","0.8","296","2","296","2","350000","","","","","","","4","P 1 21/c 1","-P 2ybc","14","N,N-dimethylbipyridinium dibromide","","","- C12 H14 Br2 N2 -","- C12 H14 Br2 N2 -","- C24 H28 Br4 N4 -","2","0.5","","Anioła, Michalina; Katrusiak, Andrzej","Pressure-preferred symmetric reactions of 4,4′-bipyridine hydrobromide","CrystEngComm","2016","18","18","3223","","10.1039/C6CE00356G","","","0.71073","MoKα","","0.097","0.0879","","","0.2298","0.24","","","","","","1.041","","","","has coordinates","182635","2020-10-21","18:00:00",""
"7224725","4.8986","0.0006","7.6614","0.001","7.989","0.0009","70.464","0.011","87.005","0.01","77.176","0.011","275.44","0.06","296","2","296","2","","","","","","","","4","P -1","-P 1","2","44'-bipyridine hydrobromide","","","- C10 H10 Br2 N2 -","- C10 H10 Br2 N2 -","- C10 H10 Br2 N2 -","1","0.5","","Anioła, Michalina; Katrusiak, Andrzej","Pressure-preferred symmetric reactions of 4,4′-bipyridine hydrobromide","CrystEngComm","2016","18","18","3223","","10.1039/C6CE00356G","","","0.71073","MoKα","","0.0193","0.0184","","","0.0448","0.0451","","","","","","1.045","","","","has coordinates","182635","2020-10-21","18:00:00",""
"7224726","4.8839","0.0015","7.622","0.005","7.951","0.004","70.87","0.06","86.78","0.04","77.39","0.05","272.8","0.3","296","2","296","2","10000","","","","","","","4","P -1","-P 1","2","bipyridine hydrobromide","bipyridine hydrobromide","","- C10 H10 Br2 N2 -","- C10 H10 Br2 N2 -","- C10 H10 Br2 N2 -","1","0.5","","Anioła, Michalina; Katrusiak, Andrzej","Pressure-preferred symmetric reactions of 4,4′-bipyridine hydrobromide","CrystEngComm","2016","18","18","3223","","10.1039/C6CE00356G","","","0.71073","MoKα","","0.067","0.0623","","","0.1467","0.1523","","","","","","1.211","","","","has coordinates","182635","2020-10-21","18:00:00",""
"7224727","4.874","0.004","7.567","0.006","7.936","0.004","70.73","0.06","86.64","0.05","77.47","0.07","269.7","0.4","296","2","296","2","20000","","","","","","","4","P -1","-P 1","2","bipyridine hydrobromide","bipyridine hydrobromide","","- C10 H10 Br2 N2 -","- C10 H10 Br2 N2 -","- C10 H10 Br2 N2 -","1","0.5","","Anioła, Michalina; Katrusiak, Andrzej","Pressure-preferred symmetric reactions of 4,4′-bipyridine hydrobromide","CrystEngComm","2016","18","18","3223","","10.1039/C6CE00356G","","","0.71073","MoKα","","0.0535","0.0487","","","0.1178","0.1238","","","","","","1.048","","","","has coordinates","182635","2020-10-21","18:00:00",""
"7224728","4.845","0.0011","7.453","0.002","7.875","0.005","70.89","0.04","86.82","0.04","77.82","0.02","262.6","0.2","296","2","296","2","50000","","","","","","","4","P -1","-P 1","2","bipyridine hydrobromide","bipyridine hydrobromide","","- C10 H10 Br2 N2 -","- C10 H10 Br2 N2 -","- C10 H10 Br2 N2 -","1","0.5","","Anioła, Michalina; Katrusiak, Andrzej","Pressure-preferred symmetric reactions of 4,4′-bipyridine hydrobromide","CrystEngComm","2016","18","18","3223","","10.1039/C6CE00356G","","","0.71073","MoKα","","0.0427","0.0332","","","0.0656","0.0693","","","","","","1.438","","","","has coordinates","182635","2020-10-21","18:00:00",""
"7224729","4.8011","0.0017","7.275","0.004","7.759","0.005","71.06","0.06","86.46","0.05","78.64","0.04","251.3","0.3","296","2","296","2","100000","","","","","","","4","P -1","-P 1","2","bipyridine hydrobromide","bipyridine hydrobromide","","- C10 H10 Br2 N2 -","- C10 H10 Br2 N2 -","- C10 H10 Br2 N2 -","1","0.5","","Anioła, Michalina; Katrusiak, Andrzej","Pressure-preferred symmetric reactions of 4,4′-bipyridine hydrobromide","CrystEngComm","2016","18","18","3223","","10.1039/C6CE00356G","","","0.71073","MoKα","","0.082","0.0511","","","0.1094","0.1273","","","","","","1.006","","","","has coordinates","182635","2020-10-21","18:00:00",""
"7224730","10.33","0.0006","12.704","0.0007","12.798","0.0006","102.776","0.002","99.919","0.002","108.779","0.002","1495.87","0.14","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C15 H15 N3 O5 S -","- C15 H15 N3 O5 S -","- C60 H60 N12 O20 S4 -","4","2","","Shi, X.; El Hassan, N.; Ikni, A.; Li, W.; Guiblin, N.; Spasojević de-Biré, A.; Ghermani, N. E.","Experimental electron densities of neutral and zwitterionic forms of the drug piroxicam","CrystEngComm","2016","18","18","3289","","10.1039/C5CE02397A","","","0.71069","MoKα","","0.0226","0.0226","","","0.0402","0.0402","","","","","","0.987","","","","has coordinates","182989","2020-10-21","18:00:00",""
"7224731","7.031","0.005","14.975","0.005","13.892","0.005","90","","96.408","0.005","90","","1453.5","1.3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H13 N3 O4 S -","- C15 H13 N3 O4 S -","- C60 H52 N12 O16 S4 -","4","1","","Shi, X.; El Hassan, N.; Ikni, A.; Li, W.; Guiblin, N.; Spasojević de-Biré, A.; Ghermani, N. E.","Experimental electron densities of neutral and zwitterionic forms of the drug piroxicam","CrystEngComm","2016","18","18","3289","","10.1039/C5CE02397A","","","0.71073","MoKα","","0.0239","0.0239","","","0.0331","0.0331","","","","","","0.543","","","","has coordinates","182634","2020-10-21","18:00:00",""
"7224732","15.488","0.005","8.481","0.005","17.387","0.005","90","","112.763","0.005","90","","2106","1.5","100","2","100","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C9 H9 N3 O2 S2 -","- C9 H9 N3 O2 S2 -","- C72 H72 N24 O16 S16 -","8","2","","Shi, X.; El Hassan, N.; Ikni, A.; Li, W.; Guiblin, N.; Spasojević de-Biré, A.; Ghermani, N. E.","Experimental electron densities of neutral and zwitterionic forms of the drug piroxicam","CrystEngComm","2016","18","18","3289","","10.1039/C5CE02397A","","","0.71073","MoKα","","0.0211","0.0211","","","0.0323","0.0323","","","","","","0.474","","","","has coordinates","182989","2020-10-21","18:00:00",""
"7224733","10.7694","0.0003","8.461","0.0003","11.3742","0.0003","90","","91.626","0.001","90","","1036","0.05","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C9 H9 N3 O2 S2 -","- C9 H9 N3 O2 S2 -","- C36 H36 N12 O8 S8 -","4","1","","Shi, X.; El Hassan, N.; Ikni, A.; Li, W.; Guiblin, N.; Spasojević de-Biré, A.; Ghermani, N. E.","Experimental electron densities of neutral and zwitterionic forms of the drug piroxicam","CrystEngComm","2016","18","18","3289","","10.1039/C5CE02397A","","","0.71073","MoKα","","0.0193","0.0193","","","0.0298","0.0298","","","","","","0.517","","","","has coordinates","182634","2020-10-21","18:00:00",""
"7224734","15.3248","0.001","15.3248","0.001","23.354","0.003","90","","90","","90","","5484.7","0.9","293","","293","","","","","","","","","6","I 4/m","-I 4","87","","","","- C100 H100 Br4 Cu2 N16 O2 -","- C100 H96 Br4 Cu2 N16 O2 -","- C200 H192 Br8 Cu4 N32 O4 -","2","0.125","","Sone, Eriko; Sato, Moeko; Mochizuki, Masaru; Kamio, Chihiro; Yamanishi, Katsunori; Kondo, Mitsuru","Cationic M2L4cages for perchlorate removal from aqueous solutions and preferential perchlorate incorporation in hydrophilic solutions","CrystEngComm","2016","18","26","5004","","10.1039/C6CE00267F","","","0.7107","MoKα","","","0.0933","","","","0.1855","","","","","","1.18","","","","has coordinates","185202","2020-10-21","18:00:00",""
"7224735","15.2312","0.0008","15.2312","0.0008","23.338","0.002","90","","90","","90","","5414.2","0.6","293","","293","","","","","","","","","6","I 4/m","-I 4","87","","","","- C100 H100 Cl4 Cu2 N16 O2 -","- C100 H96 Cl4 Cu2 N16 O2 -","- C200 H192 Cl8 Cu4 N32 O4 -","2","0.125","","Sone, Eriko; Sato, Moeko; Mochizuki, Masaru; Kamio, Chihiro; Yamanishi, Katsunori; Kondo, Mitsuru","Cationic M2L4cages for perchlorate removal from aqueous solutions and preferential perchlorate incorporation in hydrophilic solutions","CrystEngComm","2016","18","26","5004","","10.1039/C6CE00267F","","","0.7107","MoKα","","","0.0783","","","","0.1696","","","","","","1.051","","","","has coordinates","185202","2020-10-21","18:00:00",""
"7224736","16.918","0.002","16.918","0.002","32.534","0.005","90","","90","","90","","9312","2","293","","293","","","","","","","","","7","P 4/n c c","-P 4a 2ac","130","","","","- C100 H98 Br2 Cu2 N16 O5 S -","- C100 H96 Br2 Cu2 N16 O5 S -","- C400 H384 Br8 Cu8 N64 O20 S4 -","4","","","Sone, Eriko; Sato, Moeko; Mochizuki, Masaru; Kamio, Chihiro; Yamanishi, Katsunori; Kondo, Mitsuru","Cationic M2L4cages for perchlorate removal from aqueous solutions and preferential perchlorate incorporation in hydrophilic solutions","CrystEngComm","2016","18","26","5004","","10.1039/C6CE00267F","","","0.7107","MoKα","","0.0974","0.0755","","","0.1341","0.1442","","","","","","1.073","","","","has coordinates","185202","2020-10-21","18:00:00",""
"7224737","16.689","0.004","16.689","0.004","32.737","0.008","90","","90","","90","","9118","4","293","","293","","","","","","","","","7","P 4/n c c","-P 4a 2ac","130","","","","- C100 H98 Cl2 Cu2 N16 O5 S -","- C100 H96 Cl2 Cu2 N16 O5 S -","- C400 H384 Cl8 Cu8 N64 O20 S4 -","4","","","Sone, Eriko; Sato, Moeko; Mochizuki, Masaru; Kamio, Chihiro; Yamanishi, Katsunori; Kondo, Mitsuru","Cationic M2L4cages for perchlorate removal from aqueous solutions and preferential perchlorate incorporation in hydrophilic solutions","CrystEngComm","2016","18","26","5004","","10.1039/C6CE00267F","","","0.71075","MoKα","","","0.1463","","","","0.3398","","","","","","1.387","","","","has coordinates","185202","2020-10-21","18:00:00",""
"7224738","4.804","0.0003","9.8809","0.0007","10.0661","0.0009","75.987","0.001","81.807","0.002","79.391","0.001","453.26","0.06","298","2","298.15","","","","","","","","","4","P -1","-P 1","2","","","","- C22 H12 Mn O8 -","- C22 H12 Mn O8 -","- C22 H12 Mn O8 -","1","0.5","","Mu, Bao; Li, Chang-Xia; Song, Ming; Ren, Yan-Li; Huang, Ru-Dan","The electrochemical properties, nitrogen adsorption, and photocatalytic activities of three 3D metal‒organic frameworks bearing the rigid terphenyl tetracarboxylates ligands","CrystEngComm","2016","18","17","3086","","10.1039/C6CE00087H","","","0.71073","MoKα","","0.0986","0.0702","","","0.1731","0.1891","","","","","","1.0052","","","","has coordinates","182662","2020-10-21","18:00:00",""
"7224739","11.0031","0.0009","11.2217","0.0011","11.6959","0.0011","69.193","0.001","79.676","0.001","81.008","0.002","1321.3","0.2","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C44 H46 Ni6 O31 -","- C44 H46 Ni6 O31 -","- C44 H46 Ni6 O31 -","1","0.5","","Mu, Bao; Li, Chang-Xia; Song, Ming; Ren, Yan-Li; Huang, Ru-Dan","The electrochemical properties, nitrogen adsorption, and photocatalytic activities of three 3D metal‒organic frameworks bearing the rigid terphenyl tetracarboxylates ligands","CrystEngComm","2016","18","17","3086","","10.1039/C6CE00087H","","","1.54178","CuKα","","0.1899","0.0947","","","0.1871","0.2865","","","","","","1.032","","","","has coordinates","182662","2020-10-21","18:00:00",""
"7224740","23.432","0.002","9.5422","0.0008","18.9958","0.0017","90","","125.964","0.002","90","","3437.7","0.5","298","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C32 H40 N4 O10 Zn -","- C32 H40 N4 O10 Zn -","- C128 H160 N16 O40 Zn4 -","4","0.5","","Mu, Bao; Li, Chang-Xia; Song, Ming; Ren, Yan-Li; Huang, Ru-Dan","The electrochemical properties, nitrogen adsorption, and photocatalytic activities of three 3D metal‒organic frameworks bearing the rigid terphenyl tetracarboxylates ligands","CrystEngComm","2016","18","17","3086","","10.1039/C6CE00087H","","","0.71073","MoKα","","0.0842","0.0448","","","0.0941","0.1147","","","","","","1.009","","","","has coordinates","182662","2020-10-21","18:00:00",""
"7224741","10.4929","0.0013","11.1254","0.0012","16.981","0.002","90.561","0.006","96.469","0.007","99.986","0.006","1939","0.4","150","2","150","2","","","","","","","","4","P -1","-P 1","2","PITE2","PITE2","","- C51 H51 N O -","- C51 H51 N O -","- C102 H102 N2 O2 -","2","1","","Sk, Bahadur; Patra, Abhijit","C‒C coupling over Schiff base condensation: a rational design strategy for a strongly fluorescent molecular material","CrystEngComm","2016","18","23","4290","","10.1039/C5CE02489G","","","0.71073","MoKα","","0.1148","0.058","","","0.1505","0.182","","","","","","1.001","","","","has coordinates","185289","2020-10-21","18:00:00",""
"7224742","9.1338","0.0002","13.6605","0.0002","16.0445","0.0003","90.823","0.001","91.397","0.001","101.432","0.001","1961.23","0.06","140","2","140","2","","","","","","","","3","P -1","-P 1","2","PITE1","PITE1","","- C51 H52 N2 -","- C51 H52 N2 -","- C102 H104 N4 -","2","1","","Sk, Bahadur; Patra, Abhijit","C‒C coupling over Schiff base condensation: a rational design strategy for a strongly fluorescent molecular material","CrystEngComm","2016","18","23","4290","","10.1039/C5CE02489G","","","0.71073","MoKα","","0.1221","0.0577","","","0.1193","0.148","","","","","","1.048","","","","has coordinates","185289","2020-10-21","18:00:00",""
"7224743","23.7419","0.0009","8.0217","0.0003","31.6881","0.0009","90","","127.152","0.002","90","","4810.1","0.3","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C25 H25 N O9 -","- C25 H25 N O9 -","- C200 H200 N8 O72 -","8","2","","Samai, Subhasis; Ghosh, Debasish; Das, Uttam K.; Atta, Sanghamitra; Manna, Saikat K.; Maiti, Dilip K.","Water ‒ the best solvent for DMAP-mediated dual cyclization towards metal-free first synthesis of fully substituted phthalimides","Green Chem.","2016","18","10","2961","","10.1039/C6GC00367B","","","0.71073","MoKα","","0.0671","0.0506","","","0.1259","0.1408","","","","","","1.024","","","","has coordinates","183711","2020-10-21","18:00:00",""
"7224744","8.133","0.003","11.671","0.004","11.708","0.003","63.061","0.014","84.432","0.014","75.914","0.014","960.8","0.6","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","","","- C21 H17 N O8 -","- C21 H17 N O8 -","- C42 H34 N2 O16 -","2","1","","Samai, Subhasis; Ghosh, Debasish; Das, Uttam K.; Atta, Sanghamitra; Manna, Saikat K.; Maiti, Dilip K.","Water ‒ the best solvent for DMAP-mediated dual cyclization towards metal-free first synthesis of fully substituted phthalimides","Green Chem.","2016","18","10","2961","","10.1039/C6GC00367B","","","0.71073","MoKα","","0.0498","0.0405","","","0.1108","0.12","","","","","","1.026","","","","has coordinates","183711","2020-10-21","18:00:00",""
"7224745","8.8215","0.0008","11.1197","0.001","21.054","0.002","90","","90","","90","","2065.2","0.3","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C5 H7 Bi N4 O8 -","- C5 H3 Bi N4 O8 -","- C40 H24 Bi8 N32 O64 -","8","1","","Kang, Li; Wei, Zhixian; Song, Jiang-Feng; Qu, Yuanyuan; Wang, Yale","Two new energetic coordination compounds based on Tetrazole-1-acetic acid: Syntheses, crystal structures and their synergistic catalytic effect for thermal decomposition of ammonium perchlorate","RSC Adv.","2016","","","","","10.1039/C6RA02034H","","","0.71073","MoKα","","0.0407","0.033","","","0.0822","0.0862","","","","","","1.068","","","","has coordinates","180613","2020-10-21","18:00:00",""
"7224746","12.0154","0.0013","20.745","0.002","16.311","0.002","90","","102.087","0.003","90","","3975.5","0.8","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C18 H22 Fe3 N25 O19 -","- C18 H22 Fe3 N25 O19 -","- C72 H88 Fe12 N100 O76 -","4","0.5","","Kang, Li; Wei, Zhixian; Song, Jiang-Feng; Qu, Yuanyuan; Wang, Yale","Two new energetic coordination compounds based on Tetrazole-1-acetic acid: Syntheses, crystal structures and their synergistic catalytic effect for thermal decomposition of ammonium perchlorate","RSC Adv.","2016","","","","","10.1039/C6RA02034H","","","0.71073","MoKα","","0.0767","0.0499","","","0.1373","0.1597","","","","","","1.107","","","","has coordinates","180613","2020-10-21","18:00:00",""
"7224747","10.4846","0.0006","15.8614","0.0008","14.735","0.0008","90","","99.128","0.005","90","","2419.4","0.2","293","","293","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C29 H28 O3 -","- C29 H28 O3 -","- C116 H112 O12 -","4","1","","Naidu, Gonna Somu; Singh, Rekha; Kumar, Mukesh; Ghosh, Sunil Kumar","Synthesis of highly functionalized [3]dendralenes and their Diels-Alder reaction displaying unexpected regioselectivity","RSC Adv.","2016","","","","","10.1039/C6RA01729K","","","1.5418","CuKα","","0.0682","0.0464","","","0.122","0.1393","","","","","","1.041","","","","has coordinates,has disorder","180644","2020-10-21","18:00:00",""
"7224748","10.4479","0.0002","20.6292","0.0003","27.0817","0.0004","90","","90","","90","","5836.97","0.16","150","2","150","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C33 H29 Br Cl N O4 -","- C33 H29 Br Cl N O4 -","- C264 H232 Br8 Cl8 N8 O32 -","8","1","","Naidu, Gonna Somu; Singh, Rekha; Kumar, Mukesh; Ghosh, Sunil Kumar","Synthesis of highly functionalized [3]dendralenes and their Diels-Alder reaction displaying unexpected regioselectivity","RSC Adv.","2016","","","","","10.1039/C6RA01729K","","","1.5418","CuKα","","0.0493","0.043","","","0.1152","0.1216","","","","","","1.045","","","","has coordinates","206489","2020-10-21","18:00:00",""
"7224749","13.0988","0.0011","27.6314","0.0014","8.4212","0.0005","90","","93.631","0.007","90","","3041.8","0.3","293","","293","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C34 H32 Br N O5 -","- C34 H32 Br N O5 -","- C136 H128 Br4 N4 O20 -","4","1","","Naidu, Gonna Somu; Singh, Rekha; Kumar, Mukesh; Ghosh, Sunil Kumar","Synthesis of highly functionalized [3]dendralenes and their Diels-Alder reaction displaying unexpected regioselectivity","RSC Adv.","2016","","","","","10.1039/C6RA01729K","","","1.5418","CuKα","","0.113","0.0787","","","0.2324","0.282","","","","","","1.049","","","","has coordinates","180644","2020-10-21","18:00:00",""
"7224750","14.7213","0.0014","12.0482","0.001","13.0935","0.001","90","","109.305","0.011","90","","2191.8","0.4","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C26 H27 N O4 -","- C26 H27 N O4 -","- C104 H108 N4 O16 -","4","1","","Naidu, Gonna Somu; Singh, Rekha; Kumar, Mukesh; Ghosh, Sunil Kumar","Synthesis of highly functionalized [3]dendralenes and their Diels-Alder reaction displaying unexpected regioselectivity","RSC Adv.","2016","","","","","10.1039/C6RA01729K","","","1.5418","CuKα","","0.0774","0.0524","","","0.1452","0.1723","","","","","","1.053","","","","has coordinates","180644","2020-10-21","18:00:00",""
"7224751","37.8452","0.0019","15.6845","0.0005","17.0802","0.001","90","","116.801","0.007","90","","9049.4","0.9","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","naonpry","Lpy-Na","","- C44 H52 N8 Na4 O4 -","- C44 H52 N8 Na4 O4 -","- C352 H416 N64 Na32 O32 -","8","1","","Chuang, Wan-Jung; Huang, Yen-Tzu; Chen, Yu-Hsieh; Lin, Yu-Shan; Lu, Wei-Yi; Lai, Yi-Chun; Chiang, Michael, Y.; Hsu, Sodio C.N.; Chen, Hsuan-Ying","Synthesis, Characterization, and Catalytic Activity of Sodium Ketminiate Complexes toward the Ring-Opening Polymerization of L-Lactide","RSC Adv.","2016","","","","","10.1039/C6RA00373G","","","0.71073","MoKα","","0.0954","0.0639","","","0.1781","0.2021","","","","","","1.038","","","","has coordinates","206489","2020-10-21","18:00:00",""
"7224752","12.0002","0.0005","12.0002","0.0005","24.7801","0.0014","93.67","0.003","93.67","0.003","103.706","0.004","3448.2","0.3","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","2-amino-6,6,8,8-tetrahydro-7,7-dimethyl-4-(3-nitrophenyl)-5-oxo-4H-chromene-3-carbonitrile","","- C18 H17 N3 O4 -","- C18 H17 N3 O4 -","- C144 H136 N24 O32 -","8","4","","Sharma, Pankaj; Gupta, Monika; Kant, Rajni; Gupta, Vivek K.","One-pot synthesis of various 2-amino-4H-chromene derivatives using a highly active supported ionic liquid catalyst","RSC Adv.","2016","6","38","32052","","10.1039/C6RA06523F","","","0.71073","MoKα","","0.2065","0.1682","","","0.4376","0.4619","","","","","","1.075","","","","has coordinates","206958","2020-10-21","18:00:00",""
"7224753","9.532","0.003","9.63","0.003","17.838","0.005","90","","98.075","0.007","90","","1621.2","0.9","150","2","150","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C21 H18 N4 -","- C21 H18 N4 -","- C84 H72 N16 -","4","1","","Hajra, Alakananda; Chakraborty, Amrita; Jana, Sourav; Kibriya, Golam; Dey, Amrita","tert-Butyl nitrite mediated azo coupling between anilines and imidazoheterocycles","RSC Adv.","2016","","","","","10.1039/C6RA03070J","","","0.71073","MoKα","","0.0992","0.0543","","","0.1278","0.1558","","","","","","0.777","","","","has coordinates","180647","2020-10-21","18:00:00",""
"7224754","9.7069","0.0019","10.878","0.002","10.907","0.002","76.5","0.03","68.03","0.03","66.04","0.03","971.5","0.4","110.15","","110.15","","","","","","","","","4","P -1","-P 1","2","Oxaprozin-1,2-bis(4-pyridyl)ethane","1:0.5 Cocrystal of Oxaprozin and 1,2-bis(4-pyridyl)ethane","","- C24 H21 N2 O3 -","- C24 H21 N2 O3 -","- C48 H42 N4 O6 -","2","1","","Aitipamula, Srinivasulu; Wong, Annie B.H.; Chow, Pui Shan; Tan, Reginald B. H.","Novel solid forms of oxaprozin: cocrystals and an extended release drug-drug salt of salbutamol","RSC Adv.","2016","","","","","10.1039/C6RA01802E","","","0.71073","MoKα","","0.0578","0.0505","","","0.1342","0.1406","","","","","","1.058","","","","has coordinates","180648","2020-10-21","18:00:00",""
"7224755","10.453","0.002","10.627","0.002","13.379","0.003","76.02","0.03","69.82","0.03","88.05","0.03","1351.7","0.6","110.15","","110.15","","","","","","","","","4","P -1","-P 1","2","Oxaprozin-Salbutamol","1:1 Salt of Oxaprozin and Salbutamol","","- C31 H36 N2 O6 -","- C31 H36 N2 O6 -","- C62 H72 N4 O12 -","2","1","","Aitipamula, Srinivasulu; Wong, Annie B.H.; Chow, Pui Shan; Tan, Reginald B. H.","Novel solid forms of oxaprozin: cocrystals and an extended release drug-drug salt of salbutamol","RSC Adv.","2016","","","","","10.1039/C6RA01802E","","","0.71073","MoKα","","0.0865","0.0786","","","0.1892","0.1956","","","","","","1.175","","","","has coordinates","180648","2020-10-21","18:00:00",""
"7224756","6.0156","0.0012","8.8644","0.0018","19.296","0.004","81.31","0.03","85.29","0.03","80.23","0.03","1000.7","0.4","110.15","","110.15","","","","","","","","","4","P -1","-P 1","2","Oxaprozin-2-Amino-3-Picoline","1:1 Salt of Oxaprozin and 2-Amino-3-Picoline","","- C24 H23 N3 O3 -","- C24 H23 N3 O3 -","- C48 H46 N6 O6 -","2","1","","Aitipamula, Srinivasulu; Wong, Annie B.H.; Chow, Pui Shan; Tan, Reginald B. H.","Novel solid forms of oxaprozin: cocrystals and an extended release drug-drug salt of salbutamol","RSC Adv.","2016","","","","","10.1039/C6RA01802E","","","0.71073","MoKα","","0.0739","0.0724","","","0.2033","0.2052","","","","","","1.16","","","","has coordinates","180648","2020-10-21","18:00:00",""
"7224757","13.422","0.003","15.305","0.003","18.618","0.004","90","","103.53","0.03","90","","3718.4","1.4","113.15","","113.15","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","Oxaprozin-4,4'-Bipyridine","1:0.5 Salt of Oxaprozin and 4,4'-Bipyridine","","- C23 H19 N2 O3 -","- C23 H19 N2 O3 -","- C184 H152 N16 O24 -","8","1","","Aitipamula, Srinivasulu; Wong, Annie B.H.; Chow, Pui Shan; Tan, Reginald B. H.","Novel solid forms of oxaprozin: cocrystals and an extended release drug-drug salt of salbutamol","RSC Adv.","2016","","","","","10.1039/C6RA01802E","","","0.71073","MoKα","","0.0605","0.057","","","0.143","0.1462","","","","","","1.139","","","","has coordinates","180648","2020-10-21","18:00:00",""
"7224758","5.8155","0.0012","7.3355","0.0015","19.744","0.004","90.14","0.03","91.13","0.03","99.08","0.03","831.5","0.3","110.15","","110.15","","","","","","","","","4","P -1","-P 1","2","Oxaprozin-piperazine","1:0.5 Salt of Oxaprozin and piperazine","","- C20 H20 N2 O3 -","- C20 H20 N2 O3 -","- C40 H40 N4 O6 -","2","1","","Aitipamula, Srinivasulu; Wong, Annie B.H.; Chow, Pui Shan; Tan, Reginald B. H.","Novel solid forms of oxaprozin: cocrystals and an extended release drug-drug salt of salbutamol","RSC Adv.","2016","","","","","10.1039/C6RA01802E","","","0.71073","MoKα","","0.0698","0.0637","","","0.1409","0.1445","","","","","","1.181","","","","has coordinates","180648","2020-10-21","18:00:00",""
"7224759","10.3129","0.0005","7.646","0.0003","36.7642","0.0015","90","","90","","90","","2898.9","0.2","100","","100","","","","","","","","","4","P b c a","-P 2ac 2ab","61","Oxaprozin","Oxaprozin","","- C18 H15 N O3 -","- C18 H15 N O3 -","- C144 H120 N8 O24 -","8","1","","Aitipamula, Srinivasulu; Wong, Annie B.H.; Chow, Pui Shan; Tan, Reginald B. H.","Novel solid forms of oxaprozin: cocrystals and an extended release drug-drug salt of salbutamol","RSC Adv.","2016","","","","","10.1039/C6RA01802E","","","0.71073","MoKα","","0.069","0.0612","","","0.1529","0.1579","","","","","","1.062","","","","has coordinates","180648","2020-10-21","18:00:00",""
"7224760","14.0046","0.0013","8.9892","0.0008","16.6","0.0015","90","","105.069","0.002","90","","2017.9","0.3","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H24 N4 O -","- C24.002 H24 N4 O -","- C96.008 H96 N16 O4 -","4","1","","Liao, Zhuang; Wang, Dan; Zheng, Jianquan; Tan, Hongwei; Zheng, Xiangjun; Jin, Lin-Pei","A Single Chemosensor for Bimetal Cu(II) and Zn(II) in Aqueous Medium","RSC Adv.","2016","","","","","10.1039/C6RA01030J","","","0.71073","MoKα","","0.155","0.072","","","0.1628","0.2045","","","","","","1.023","","","","has coordinates,has disorder","180649","2020-10-21","18:00:00",""
"7224761","8.089","0.003","20.908","0.008","13.943","0.005","90","","90.474","0.008","90","","2358","1.5","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C25 H27 Cl Cu N4 O2 -","- C25 H27 Cl Cu N4 O2 -","- C100 H108 Cl4 Cu4 N16 O8 -","4","1","","Liao, Zhuang; Wang, Dan; Zheng, Jianquan; Tan, Hongwei; Zheng, Xiangjun; Jin, Lin-Pei","A Single Chemosensor for Bimetal Cu(II) and Zn(II) in Aqueous Medium","RSC Adv.","2016","","","","","10.1039/C6RA01030J","","","0.71073","MoKα","","0.1128","0.0626","","","0.16","0.1873","","","","","","1.048","","","","has coordinates","180649","2020-10-21","18:00:00",""
"7224762","20.646","0.002","18.537","0.002","15.4375","0.0018","90","","117.913","0.002","90","","5220.8","1","296","2","296","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C22 H24 N3.2 O2.8 Zn0.8 -","- C22 H24 N3.2 O2.8 Zn0.8 -","- C220 H240 N32 O28 Zn8 -","10","2.5","","Liao, Zhuang; Wang, Dan; Zheng, Jianquan; Tan, Hongwei; Zheng, Xiangjun; Jin, Lin-Pei","A Single Chemosensor for Bimetal Cu(II) and Zn(II) in Aqueous Medium","RSC Adv.","2016","","","","","10.1039/C6RA01030J","","","0.71073","MoKα","","0.1019","0.0475","","","0.0942","0.1153","","","","","","1.022","","","","has coordinates","180649","2020-10-21","18:00:00",""
"7224763","10.398","0.002","15.38","0.003","21.47","0.004","100.71","0.03","91.19","0.03","98.85","0.03","3329.2","1.2","113","2","113","2","","","","","","","","5","P -1","-P 1","2","","","","- C80 H64 N2 Nd2 O12 -","- C80 H64 N2 Nd2 O12 -","- C160 H128 N4 Nd4 O24 -","2","1","","Shen, Hai-Yun; Wang, Wen-Min; Gao, Hong-Ling; Cui, Jian-Zhong","Near-infrared luminescence and SMM behaviors of a family of dinuclear lanthanide 8-quinolinolate complexes","RSC Adv.","2016","","","","","10.1039/C6RA02656G","","","0.71073","MoKα","","0.0445","0.0341","","","0.077","0.083","","","","","","1.025","","","","has coordinates","180650","2020-10-21","18:00:00",""
"7224764","10.371","0.002","11.93","0.002","15.273","0.003","96.82","0.03","98.56","0.03","115.13","0.03","1656.4","0.8","113","2","113","2","","","","","","","","5","P -1","-P 1","2","","","","- C80 H64 N2 O12 Tb2 -","- C80 H64 N2 O12 Tb2 -","- C80 H64 N2 O12 Tb2 -","1","0.5","","Shen, Hai-Yun; Wang, Wen-Min; Gao, Hong-Ling; Cui, Jian-Zhong","Near-infrared luminescence and SMM behaviors of a family of dinuclear lanthanide 8-quinolinolate complexes","RSC Adv.","2016","","","","","10.1039/C6RA02656G","","","0.71073","MoKα","","0.0316","0.0287","","","0.0645","0.0661","","","","","","1.073","","","","has coordinates,has disorder","180650","2020-10-21","18:00:00",""
"7224765","10.353","0.002","11.927","0.002","15.21","0.003","97.05","0.03","98.5","0.03","115.22","0.03","1643.8","0.8","113","2","113","2","","","","","","","","5","P -1","-P 1","2","","","","- C40 H32 Dy N O6 -","- C40 H32 Dy N O6 -","- C80 H64 Dy2 N2 O12 -","2","1","","Shen, Hai-Yun; Wang, Wen-Min; Gao, Hong-Ling; Cui, Jian-Zhong","Near-infrared luminescence and SMM behaviors of a family of dinuclear lanthanide 8-quinolinolate complexes","RSC Adv.","2016","","","","","10.1039/C6RA02656G","","","0.71073","MoKα","","0.0308","0.0275","","","0.0759","0.0879","","","","","","1.225","","","","has coordinates,has disorder","180650","2020-10-21","18:00:00",""
"7224766","10.345","0.002","11.963","0.002","15.2","0.003","96.96","0.03","98.56","0.03","115.21","0.03","1646.8","0.8","113","2","113","2","","","","","","","","5","P -1","-P 1","2","","","","- C40 H32 Ho N O6 -","- C40 H32 Ho N O6 -","- C80 H64 Ho2 N2 O12 -","2","1","","Shen, Hai-Yun; Wang, Wen-Min; Gao, Hong-Ling; Cui, Jian-Zhong","Near-infrared luminescence and SMM behaviors of a family of dinuclear lanthanide 8-quinolinolate complexes","RSC Adv.","2016","","","","","10.1039/C6RA02656G","","","0.71073","MoKα","","0.0345","0.0296","","","0.0703","0.0872","","","","","","1.134","","","","has coordinates,has disorder","180650","2020-10-21","18:00:00",""
"7224767","11.064","0.002","18.015","0.004","18.101","0.004","87.1","0.03","76.3","0.03","78.86","0.03","3439.1","1.4","113","2","113","2","","","","","","","","5","P -1","-P 1","2","","","","- C82 H66 Er2 N2 O12 -","- C82 H66 Er2 N2 O12 -","- C164 H132 Er4 N4 O24 -","2","1","","Shen, Hai-Yun; Wang, Wen-Min; Gao, Hong-Ling; Cui, Jian-Zhong","Near-infrared luminescence and SMM behaviors of a family of dinuclear lanthanide 8-quinolinolate complexes","RSC Adv.","2016","","","","","10.1039/C6RA02656G","","","0.71073","MoKα","","0.0491","0.04","","","0.0954","0.1077","","","","","","1.076","","","","has coordinates","180650","2020-10-21","18:00:00",""
"7224768","21.4","0.004","9.7","0.0019","25.9","0.005","90","","99","0.03","90","","5310.1","1.8","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Fc8Cu","","- C54 H62 Cu Fe2 O6 -","- C54 H62 Cu Fe2 O6 -","- C216 H248 Cu4 Fe8 O24 -","4","1","","Zhao, Haiying; Zhu, Xueyou; Shang, Yadong; Chen, Shufeng; Li, Baoguo; Bian, Zhanxi","Ferrocene and [3]ferrocenophane-based β-diketonato copper(II) and zinc(II) complexes: Synthesis, crystal structure, electrochemistry and catalytic effect on thermal decomposition of ammonium perchlorate","RSC Adv.","2016","","","","","10.1039/C6RA02588A","","","0.71073","MoKα","","0.1398","0.0799","","","0.2528","0.2809","","","","","","1.002","","","","has coordinates","180651","2020-10-21","18:00:00",""
"7224769","13.4644","0.0013","15.4909","0.0013","14.8626","0.0013","90","","110.524","0.003","90","","2903.2","0.5","110","","110","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C15 H16 I N O -","- C15 H16 I N O -","- C120 H128 I8 N8 O8 -","8","1","","Nivetha, K.; Kalainathan, S.; Yamada, Manabu; Kondo, Yoshihiko; Hamada, Fumio","Investigation on the growth, structural, HOMO-LUMO and optical studies of 1-Ethyl -2-[2-(4-hydroxy-phenyl)-vinyl]-pyridinium iodide (HSPI) - A new stilbazolium derivative for third-order NLO applications","RSC Adv.","2016","","","","","10.1039/C6RA02544G","","","0.71075","MoKα","","","0.0478","","","","0.1128","","","","","","1.12","","","","has coordinates","180652","2020-10-21","18:00:00",""
"7224770","14.32342","0.00016","19.4258","0.0002","17.3277","0.0002","90","","103.239","0.0012","90","","4693.2","0.09","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","(EDBP)Y(CH2SiMe3)(THF)3","","- C92 H149 O10 Si2 Y2 -","- C92 H149 O10 Si2 Y2 -","- C184 H298 O20 Si4 Y4 -","2","0.5","","Hong, Kan; Liang, Zhenhua; NI, Xufeng; Shen, Zhiquan","Polymerization of conjugated dienes with homogeneous Ziegler-Natta catalytic system based on carbon-bridged bis(phenolate) yttrium alkyl complex","RSC Adv.","2016","","","","","10.1039/C6RA06144C","","","1.54184","CuKα","","0.0702","0.0609","","","0.1575","0.1667","","","","","","1.053","","","","has coordinates,has disorder","198632","2020-10-21","18:00:00",""
"7224771","33.193","0.003","6.8956","0.0006","21.9291","0.0019","90","","114.468","0.002","90","","4568.5","0.7","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C58 H40 Co N4 O8 -","- C58 H40 Co N4 O8 -","- C232 H160 Co4 N16 O32 -","4","0.5","","Meng, Xiang-min; Fan, Chuan-bin; Bi, Cai-feng; Zong, Zi-ao; Zhang, Xia; Fan, Yu-hua","Syntheses, structural diversity and photocatalytic properties of various Co(ii) coordination polymers based on a “V”-shaped 1,3-di(4′-carboxyl-phenyl)benzene acid and different imidazole bridging ligands","CrystEngComm","2016","18","16","2901","","10.1039/C5CE02473K","","","0.71073","MoKα","","0.1471","0.0757","","","0.1402","0.1589","","","","","","1.045","","","","has coordinates","182650","2020-10-21","18:00:00",""
"7224772","32.836","0.003","14.4409","0.0013","14.228","0.0012","90","","101.308","0.002","90","","6615.7","1","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C80 H58 Co2 N10 O8 -","- C80 H58 Co2 N10 O8 -","- C320 H232 Co8 N40 O32 -","4","1","","Meng, Xiang-min; Fan, Chuan-bin; Bi, Cai-feng; Zong, Zi-ao; Zhang, Xia; Fan, Yu-hua","Syntheses, structural diversity and photocatalytic properties of various Co(ii) coordination polymers based on a “V”-shaped 1,3-di(4′-carboxyl-phenyl)benzene acid and different imidazole bridging ligands","CrystEngComm","2016","18","16","2901","","10.1039/C5CE02473K","","","0.71073","MoKα","","0.1692","0.0774","","","0.1816","0.2048","","","","","","1.03","","","","has coordinates","182650","2020-10-21","18:00:00",""
"7224773","32.8","0.003","12.586","0.0011","16.0471","0.0014","90","","116.928","0.003","90","","5906.3","0.9","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C70 H52 Co2 N12 O10 -","- C70 H52 Co2 N12 O10 -","- C280 H208 Co8 N48 O40 -","4","0.5","","Meng, Xiang-min; Fan, Chuan-bin; Bi, Cai-feng; Zong, Zi-ao; Zhang, Xia; Fan, Yu-hua","Syntheses, structural diversity and photocatalytic properties of various Co(ii) coordination polymers based on a “V”-shaped 1,3-di(4′-carboxyl-phenyl)benzene acid and different imidazole bridging ligands","CrystEngComm","2016","18","16","2901","","10.1039/C5CE02473K","","","0.71073","MoKα","","0.0844","0.0492","","","0.1045","0.1122","","","","","","1.066","","","","has coordinates","182650","2020-10-21","18:00:00",""
"7224774","27.805","0.003","9.381","0.0009","24.923","0.002","90","","114.715","0.003","90","","5905.4","1","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C30 H26 Co N3 O5 -","- C30 H26 Co N2.9995 O4.9995 -","- C240 H208 Co8 N23.996 O39.996 -","8","1","","Meng, Xiang-min; Fan, Chuan-bin; Bi, Cai-feng; Zong, Zi-ao; Zhang, Xia; Fan, Yu-hua","Syntheses, structural diversity and photocatalytic properties of various Co(ii) coordination polymers based on a “V”-shaped 1,3-di(4′-carboxyl-phenyl)benzene acid and different imidazole bridging ligands","CrystEngComm","2016","18","16","2901","","10.1039/C5CE02473K","","","0.71073","MoKα","","0.1123","0.0603","","","0.1627","0.1935","","","","","","1.033","","","","has coordinates,has disorder","182650","2020-10-21","18:00:00",""
"7224775","5.3407","0.0004","10.8805","0.0009","20.8512","0.0012","93.153","0.006","94.366","0.006","99.411","0.007","1189.07","0.15","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C19 H22 N O5 S6 -","- C19 H19 N O5 S6 -","- C38 H38 N2 O10 S12 -","2","1","","Huo, Peng; Xue, Li-Jun; Li, Yan-Hong; Chen, Ting; Yu, Lei; Zhu, Qin-Yu; Dai, Jie","Effects of alkyl chain length on film morphologies and photocurrent responses of tetrathiafulvalene-bipyridinium charge-transfer salts: a study in terms of structures","CrystEngComm","2016","18","16","2894","","10.1039/C5CE02479J","","","0.71073","MoKα","","0.1072","0.0792","","","0.1747","0.1959","","","","","","1.047","","","","has coordinates","182653","2020-10-21","18:00:00",""
"7224776","9.7149","0.0006","13.5293","0.0006","21.8111","0.0009","78.118","0.004","83.149","0.004","86.593","0.004","2783.5","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C46 H56 N2 O8 S12 -","- C46 H9 N2 O8 S12 -","- C92 H18 N4 O16 S24 -","2","1","","Huo, Peng; Xue, Li-Jun; Li, Yan-Hong; Chen, Ting; Yu, Lei; Zhu, Qin-Yu; Dai, Jie","Effects of alkyl chain length on film morphologies and photocurrent responses of tetrathiafulvalene-bipyridinium charge-transfer salts: a study in terms of structures","CrystEngComm","2016","18","16","2894","","10.1039/C5CE02479J","","","0.71073","MoKα","","0.1531","0.0976","","","0.1636","0.1885","","","","","","1.014","","","","has coordinates","182653","2020-10-21","18:00:00",""
"7224777","9.6659","0.0006","13.4126","0.0007","25.3171","0.0017","76.598","0.005","79.897","0.005","86.413","0.005","3142.5","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C54 H72 N2 O8 S12 -","- C53 H18.92 N2 O8 S12 -","- C106 H37.84 N4 O16 S24 -","2","1","","Huo, Peng; Xue, Li-Jun; Li, Yan-Hong; Chen, Ting; Yu, Lei; Zhu, Qin-Yu; Dai, Jie","Effects of alkyl chain length on film morphologies and photocurrent responses of tetrathiafulvalene-bipyridinium charge-transfer salts: a study in terms of structures","CrystEngComm","2016","18","16","2894","","10.1039/C5CE02479J","","","0.71073","MoKα","","0.126","0.0904","","","0.1706","0.1864","","","","","","1.153","","","","has coordinates,has disorder","182653","2020-10-21","18:00:00",""
"7224778","13.0094","0.0006","13.0094","0.0006","5.5129","0.0003","90","","90","","120","","808.03","0.07","100","2","100","2","","","","","","","","6","P -3","-P 3","147","","","","- C9 H9 F9 Li O9 P -","- C9 H9 F9 Li O9 P -","- C18 H18 F18 Li2 O18 P2 -","2","0.333333","","Malliakas, Christos D.; Leung, Kevin; Pupek, Krzysztof Z.; Shkrob, Ilya A.; Abraham, Daniel P.","Spontaneous aggregation of lithium ion coordination polymers in fluorinated electrolytes for high-voltage batteries.","Physical chemistry chemical physics : PCCP","2016","18","16","10846","10849","10.1039/c6cp01157h","","","0.71073","MoKα","","0.0506","0.0363","","","0.0966","0.1033","","","","","","1.037","","","","has coordinates","182800","2020-10-21","18:00:00",""
"7224779","24.513","0.005","18.922","0.004","17.238","0.003","90","","119.74","0.03","90","","6942","3","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C20 H15 Cu N4 O4 -","- C20 H15 Cu N4 O4 -","- C320 H240 Cu16 N64 O64 -","16","2","","Liu, Bai-Ling; Zang, Hong-Ying; Tan, Hua-Qiao; Wang, Yong-Hui; Li, Yang-Guang","Engineering the proton conductivity of metal‒organic hybrid materials by varying the coordination mode of the ligand","CrystEngComm","2016","18","18","3300","","10.1039/C6CE00299D","","","0.71073","MoKα","","0.073","0.0447","","","0.117","0.133","","","","","","0.954","","","","has coordinates","182637","2020-10-21","18:00:00",""
"7224780","7.3598","0.0015","14.818","0.003","26.434","0.005","90","","94.94","0.03","90","","2872.1","1","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C40 H38 Mo8 N8 O35 -","- C40 H38 Mo8 N8 O35 -","- C80 H76 Mo16 N16 O70 -","2","0.5","","Liu, Bai-Ling; Zang, Hong-Ying; Tan, Hua-Qiao; Wang, Yong-Hui; Li, Yang-Guang","Engineering the proton conductivity of metal‒organic hybrid materials by varying the coordination mode of the ligand","CrystEngComm","2016","18","18","3300","","10.1039/C6CE00299D","","","0.71073","MoKα","","0.0623","0.0417","","","0.0957","0.1024","","","","","","0.945","","","","has coordinates,has disorder","182637","2020-10-21","18:00:00",""
"7224781","10.9186","0.0015","17.007","0.002","35.3","0.005","90","","90","","90","","6554.9","1.5","100","2","100","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C9 H6 N12 O21 -","- C9 H6 N12 O21 -","- C108 H72 N144 O252 -","12","3","","Gidaspov, Alexander A.; Zalomlenkov, Vladimir A.; Bakharev, Vladimir V.; Parfenov, Victor E.; Yurtaev, Evgeniy V.; Struchkova, Marina I.; Palysaeva, Nadezhda V.; Suponitsky, Kyrill; Lempert, David B.; Sheremetev, Aleksei B.","Novel trinitroethanol derivatives: High energetic 2-(2,2,2-Trinitroethoxy)-1,3,5-triazines","RSC Adv.","2016","","","","","10.1039/C6RA05826D","","","0.71073","MoKα","","0.1396","0.0792","","","0.1802","0.2113","","","","","","1.041","","","","has coordinates,has disorder","180704","2020-10-21","18:00:00",""
"7224782","6.0315","0.0005","11.7427","0.001","11.9923","0.001","101.5","0.002","101.738","0.002","97.607","0.002","801.56","0.12","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C7 H6 N10 O14 -","- C7 H6 N10 O14 -","- C14 H12 N20 O28 -","2","1","","Gidaspov, Alexander A.; Zalomlenkov, Vladimir A.; Bakharev, Vladimir V.; Parfenov, Victor E.; Yurtaev, Evgeniy V.; Struchkova, Marina I.; Palysaeva, Nadezhda V.; Suponitsky, Kyrill; Lempert, David B.; Sheremetev, Aleksei B.","Novel trinitroethanol derivatives: High energetic 2-(2,2,2-Trinitroethoxy)-1,3,5-triazines","RSC Adv.","2016","","","","","10.1039/C6RA05826D","","","0.71073","MoKα","","0.0773","0.0513","","","0.1112","0.124","","","","","","1.058","","","","has coordinates,has disorder","180704","2020-10-21","18:00:00",""
"7224783","13.2903","0.0013","6.6865","0.0007","11.6787","0.0012","90","","93.175","0.002","90","","1036.24","0.18","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C5 H4 N6 O9 -","- C5 H4 N6 O9 -","- C20 H16 N24 O36 -","4","1","","Gidaspov, Alexander A.; Zalomlenkov, Vladimir A.; Bakharev, Vladimir V.; Parfenov, Victor E.; Yurtaev, Evgeniy V.; Struchkova, Marina I.; Palysaeva, Nadezhda V.; Suponitsky, Kyrill; Lempert, David B.; Sheremetev, Aleksei B.","Novel trinitroethanol derivatives: High energetic 2-(2,2,2-Trinitroethoxy)-1,3,5-triazines","RSC Adv.","2016","","","","","10.1039/C6RA05826D","","","0.71073","MoKα","","0.0624","0.0467","","","0.0884","0.0944","","","","","","1.141","","","","has coordinates","180704","2020-10-21","18:00:00",""
"7224784","14.3185","0.0016","23.454","0.004","8.7139","0.0011","90","","90","","90","","2926.4","0.7","296","","296","","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C34 H29 N3 O6 -","- C34 H29 N3 O6 -","- C136 H116 N12 O24 -","4","0.5","","Prieto, Pilar; Torres, Iván; Carrillo, Jose Ramon; Diaz, Angel; Martín, Raúl; Gómez, Maria Victoria; Stegemann, Linda; Strassert, Cristian; Orduna, Jesus; Buendía, Julia; Greciano, Elisa E.; Valera, Jorge Santos; Matesanz, Emilio; Sanchez, Luis","Self-assembly of T-shape 2H-benzo[d][1,2,3]-triazoles. Optical wadeguide and photophysical properties","RSC Adv.","2016","","","","","10.1039/C6RA02473D","","x-ray","0.71073","MoKα","","0.1679","0.0711","","","0.1593","0.2113","","","","","","1.011","","","","has coordinates","180705","2020-10-21","18:00:00",""
"7224786","7.081","0.002","8.559","0.002","9.604","0.003","67","0.02","81.82","0.02","71.19","0.02","507.1","0.3","296","","296","","","","","","","","","4","P -1","-P 1","2","5,6-dimethylbenzimidazole ethanol solvate","5,6-dimethylbenzimidazole ethanol solvate","","- C11 H16 N2 O -","- C11 H16 N2 O -","- C22 H32 N4 O2 -","2","1","","Zielinski, Witold; Katrusiak, Andrzej","Pressure-induced preference for solvation of 5,6-dimethylbenzimidazole","CrystEngComm","2016","18","18","3211","","10.1039/C6CE00419A","","","0.71073","MoKα","","0.1535","0.0905","","","0.2311","0.3014","","","","","","1.089","","","","has coordinates","182633","2020-10-21","18:00:00",""
"7224787","7.0242","0.0016","8.496","0.002","9.475","0.002","66.75","0.02","81.96","0.02","71.38","0.02","492.3","0.2","296","","296","","","","","","","","","4","P -1","-P 1","2","5,6-dimethylbenzimidazole ethanol solvate","5,6-dimethylbenzimidazole ethanol solvate","","- C11 H16 N2 O -","- C11 H16 N2 O -","- C22 H32 N4 O2 -","2","1","","Zielinski, Witold; Katrusiak, Andrzej","Pressure-induced preference for solvation of 5,6-dimethylbenzimidazole","CrystEngComm","2016","18","18","3211","","10.1039/C6CE00419A","","","0.71073","MoKα","","0.141","0.0957","","","0.253","0.31","","","","","","1.119","","","","has coordinates","182633","2020-10-21","18:00:00",""
"7224788","7.0048","0.0007","8.453","0.003","9.3834","0.0012","66.49","0.02","81.84","0.009","71.705","0.018","483.6","0.2","296","","296","","","","","","","","","4","P -1","-P 1","2","5,6-dimethylbenzimidazole ethanol solvate","5,6-dimethylbenzimidazole ethanol solvate","","- C11 H16 N2 O -","- C11 H16 N2 O -","- C22 H32 N4 O2 -","2","1","","Zielinski, Witold; Katrusiak, Andrzej","Pressure-induced preference for solvation of 5,6-dimethylbenzimidazole","CrystEngComm","2016","18","18","3211","","10.1039/C6CE00419A","","x-ray","0.71073","MoKα","","0.0833","0.0571","","","0.1414","0.1608","","","","","","1.155","","","","has coordinates","182633","2020-10-21","18:00:00",""
"7224789","6.926","0.003","8.343","0.004","9.223","0.004","66.57","0.05","81.99","0.04","72.07","0.05","465.2","0.4","296","","296","","","","","","","","","4","P -1","-P 1","2","5,6-dimethylbenzimidazole ethanol solvate","5,6-dimethylbenzimidazole ethanol solvate","","- C11 H16 N2 O -","- C11 H16 N2 O -","- C22 H32 N4 O2 -","2","1","","Zielinski, Witold; Katrusiak, Andrzej","Pressure-induced preference for solvation of 5,6-dimethylbenzimidazole","CrystEngComm","2016","18","18","3211","","10.1039/C6CE00419A","","x-ray","0.56085","AgKα","","0.2012","0.1112","","","0.282","0.3637","","","","","","1.081","","","","has coordinates","182633","2020-10-21","18:00:00",""
"7224790","9.977","0.007","7.1746","0.0003","12.7576","0.0006","90","","93.545","0.013","90","","911.5","0.6","296","","296","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","5,6-dimethylbenzimidazole methanol solvate","5,6-dimethylbenzimidazole methanol solvate","","- C10 H14 N2 O -","- C10 H14 N2 O -","- C40 H56 N8 O4 -","4","1","","Zielinski, Witold; Katrusiak, Andrzej","Pressure-induced preference for solvation of 5,6-dimethylbenzimidazole","CrystEngComm","2016","18","18","3211","","10.1039/C6CE00419A","","x-ray","0.71073","MoKα","","0.1064","0.0501","","","0.1296","0.1788","","","","","","1.034","","","","has coordinates","182633","2020-10-21","18:00:00",""
"7224791","9.96","0.012","7.1574","0.001","12.579","0.0008","90","","93.71","0.02","90","","894.8","1.1","296","","296","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","5,6-dimethylbenzimidazole methanol solvate","5,6-dimethylbenzimidazole methanol solvate","","- C10 H14 N2 O -","- C10 H14 N2 O -","- C40 H56 N8 O4 -","4","1","","Zielinski, Witold; Katrusiak, Andrzej","Pressure-induced preference for solvation of 5,6-dimethylbenzimidazole","CrystEngComm","2016","18","18","3211","","10.1039/C6CE00419A","","x-ray","0.71073","MoKα","","0.1198","0.0644","","","0.1532","0.205","","","","","","1.06","","","","has coordinates,has disorder","182633","2020-10-21","18:00:00",""
"7224792","10.11","0.006","7.1","0.0007","6.6984","0.001","114.72","0.012","94.61","0.02","90.202","0.019","435","0.3","296","","296","","","","","","","","","4","P -1","-P 1","2","5,6-dimethylbenzimidazole methanol solvate","5,6-dimethylbenzimidazole methanol solvate","","- C10 H14 N2 O -","- C10 H14 N2 O -","- C20 H28 N4 O2 -","2","1","","Zielinski, Witold; Katrusiak, Andrzej","Pressure-induced preference for solvation of 5,6-dimethylbenzimidazole","CrystEngComm","2016","18","18","3211","","10.1039/C6CE00419A","","","0.71073","MoKα","","0.0834","0.0631","","","0.1619","0.1812","","","","","","1.122","","","","has coordinates","182633","2020-10-21","18:00:00",""
"7224793","10.037","0.002","7.0477","0.001","6.6292","0.001","115.381","0.014","94.711","0.014","90.103","0.014","421.88","0.13","296","","296","","","","","","","","","4","P -1","-P 1","2","5,6-dimethylbenzimidazole methanol solvate","5,6-dimethylbenzimidazole methanol solvate","","- C10 H14 N2 O -","- C10 H14 N2 O -","- C20 H28 N4 O2 -","2","1","","Zielinski, Witold; Katrusiak, Andrzej","Pressure-induced preference for solvation of 5,6-dimethylbenzimidazole","CrystEngComm","2016","18","18","3211","","10.1039/C6CE00419A","","","0.71073","MoKα","","0.0925","0.0612","","","0.1529","0.1813","","","","","","1.059","","","","has coordinates","182633","2020-10-21","18:00:00",""
"7224794","10.007","0.003","7.0202","0.0014","6.5889","0.0012","115.903","0.019","94.821","0.018","90.068","0.019","414.53","0.18","296","","296","","","","","","","","","4","P -1","-P 1","2","5,6-dimethylbenzimidazole methanol solvate","5,6-dimethylbenzimidazole methanol solvate","","- C10 H14 N2 O -","- C10 H14 N2 O -","- C20 H28 N4 O2 -","2","1","","Zielinski, Witold; Katrusiak, Andrzej","Pressure-induced preference for solvation of 5,6-dimethylbenzimidazole","CrystEngComm","2016","18","18","3211","","10.1039/C6CE00419A","","x-ray","0.71073","MoKα","","0.0896","0.0525","","","0.1324","0.1587","","","","","","1.065","","","","has coordinates","182633","2020-10-21","18:00:00",""
"7224795","10.027","0.01","7.0054","0.0013","6.5581","0.0012","116.173","0.019","94.86","0.03","90.02","0.04","411.6","0.4","296","","296","","","","","","","","","4","P -1","-P 1","2","5,6-dimethylbenzimidazole methanol solvate","5,6-dimethylbenzimidazole methanol solvate","","- C10 H14 N2 O -","- C10 H14 N2 O -","- C20 H28 N4 O2 -","2","1","","Zielinski, Witold; Katrusiak, Andrzej","Pressure-induced preference for solvation of 5,6-dimethylbenzimidazole","CrystEngComm","2016","18","18","3211","","10.1039/C6CE00419A","","","0.71073","MoKα","","0.1133","0.0757","","","0.196","0.2366","","","","","","1.126","","","","has coordinates","182633","2020-10-21","18:00:00",""
"7224796","23.245","0.003","9.9259","0.0012","17.277","0.002","90","","106.81","0.002","90","","3815.9","0.8","298","2","298","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C18 H14 N4 O5 S Zn -","- C18 H14 N4 O5 S Zn -","- C144 H112 N32 O40 S8 Zn8 -","8","1","","Parshamoni, Srinivasulu; Konar, Sanjit","Selective CO2adsorption in four zinc(ii)-based metal organic frameworks constructed using a rigid N,N′-donor linker and various dicarboxylate ligands","CrystEngComm","2016","18","23","4395","","10.1039/C5CE02542G","","","0.71073","MoKα","","0.0238","0.0218","","","0.0506","0.0515","","","","","","0.986","","","","has coordinates","185279","2020-10-21","18:00:00",""
"7224797","8.7117","0.0012","11.0488","0.0016","13.293","0.0019","69.79","0.004","77.976","0.004","71.66","0.004","1132.6","0.3","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H16 N4 O4 Zn -","- C24 H16 N4 O4 Zn -","- C48 H32 N8 O8 Zn2 -","2","1","","Parshamoni, Srinivasulu; Konar, Sanjit","Selective CO2adsorption in four zinc(ii)-based metal organic frameworks constructed using a rigid N,N′-donor linker and various dicarboxylate ligands","CrystEngComm","2016","18","23","4395","","10.1039/C5CE02542G","","","0.71073","MoKα","","0.0595","0.0594","","","0.1421","0.1421","","","","","","0.991","","","","has coordinates","185279","2020-10-21","18:00:00",""
"7224798","24.568","0.005","10.146","0.002","17.994","0.003","90","","111.863","0.006","90","","4162.7","1.4","110","2","110","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C22 H10 N5 O5 Zn -","- C22 H10 N5 O5 Zn -","- C176 H80 N40 O40 Zn8 -","8","1","","Parshamoni, Srinivasulu; Konar, Sanjit","Selective CO2adsorption in four zinc(ii)-based metal organic frameworks constructed using a rigid N,N′-donor linker and various dicarboxylate ligands","CrystEngComm","2016","18","23","4395","","10.1039/C5CE02542G","","","0.71073","MoKα","","0.0791","0.0662","","","0.1743","0.1869","","","","","","1.045","","","","has coordinates,has disorder","185279","2020-10-21","18:00:00",""
"7224799","10.6476","0.0013","19.578","0.002","15.1746","0.0017","90","","107.808","0.004","90","","3011.7","0.6","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C50 H46 Cl2 N12 O20 Zn3 -","- C50 H46 Cl2 N12 O20 Zn3 -","- C100 H92 Cl4 N24 O40 Zn6 -","2","0.5","","Parshamoni, Srinivasulu; Konar, Sanjit","Selective CO2adsorption in four zinc(ii)-based metal organic frameworks constructed using a rigid N,N′-donor linker and various dicarboxylate ligands","CrystEngComm","2016","18","23","4395","","10.1039/C5CE02542G","","","0.71073","MoKα","","0.0416","0.0374","","","0.0821","0.084","","","","","","1.164","","","","has coordinates","185279","2020-10-21","18:00:00",""
"7224800","4.3542","0.0003","7.3675","0.0006","8.714","0.0006","72.481","0.007","83.722","0.006","84.917","0.006","264.52","0.04","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C8 H6 Br4 -","- C8 H6 Br4 -","- C8 H6 Br4 -","1","0.5","","Näther, Christian; Jess, Inke; Kuś, Piotr; Jones, Peter G.","Dimorphism of 1,4-dibromo-2,5-bis(bromomethyl)benzene: crystallographic and physico-chemical investigations","CrystEngComm","2016","18","17","3142","","10.1039/C6CE00438E","","","0.71073","MoKα","","0.0266","0.0217","","","0.0489","0.0511","","","","","","1.067","","","","has coordinates","182660","2020-10-21","18:00:00",""
"7224801","6.6114","0.0005","8.7776","0.0006","9.1807","0.0006","90","","104.041","0.007","90","","516.86","0.06","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C8 H6 Br4 -","- C8 H6 Br4 -","- C16 H12 Br8 -","2","0.5","","Näther, Christian; Jess, Inke; Kuś, Piotr; Jones, Peter G.","Dimorphism of 1,4-dibromo-2,5-bis(bromomethyl)benzene: crystallographic and physico-chemical investigations","CrystEngComm","2016","18","17","3142","","10.1039/C6CE00438E","","","0.71073","MoKα","","0.0478","0.0247","","","0.0404","0.0416","","","","","","0.874","","","","has coordinates","288501","2023-12-22","13:20:52",""
"7224802","11.447","0.004","5.0219","0.0009","15.967","0.003","90","","91.41","0.02","90","","917.6","0.4","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C8 H8 N4 S -","- C8 H8 N4 S -","- C32 H32 N16 S4 -","4","1","","Bermejo, Elena; Castiñeiras, Alfonso; García-Santos, Isabel; Rodríguez-Riobó, Raúl","In situ generation of functionalized 1,2,4-triazole-5-thiones containing pyridine or pyrazine moieties and their coordination to HgII","CrystEngComm","2016","18","19","3428","","10.1039/C6CE00338A","","","1.54184","CuKα","","0.0878","0.0581","","","0.1533","0.1751","","","","","","1.04","","","","has coordinates","185295","2020-10-21","18:00:00",""
"7224803","5.6677","0.0012","14.228","0.003","10.921","0.002","90","","100.939","0.004","90","","864.7","0.3","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C7 H7 N5 S -","- C7 H7 N5 S -","- C28 H28 N20 S4 -","4","1","","Bermejo, Elena; Castiñeiras, Alfonso; García-Santos, Isabel; Rodríguez-Riobó, Raúl","In situ generation of functionalized 1,2,4-triazole-5-thiones containing pyridine or pyrazine moieties and their coordination to HgII","CrystEngComm","2016","18","19","3428","","10.1039/C6CE00338A","","","0.71073","MoKα","","0.053","0.0395","","","0.1045","0.1126","","","","","","1.058","","","","has coordinates","185295","2020-10-21","18:00:00",""
"7224804","21.6688","0.0014","11.3368","0.0017","8.2128","0.0005","90","","107.851","0.006","90","","1920.4","0.3","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C16 H14 Hg N8 S2 -","- C16 H14 Hg N8 S2 -","- C64 H56 Hg4 N32 S8 -","4","0.5","","Bermejo, Elena; Castiñeiras, Alfonso; García-Santos, Isabel; Rodríguez-Riobó, Raúl","In situ generation of functionalized 1,2,4-triazole-5-thiones containing pyridine or pyrazine moieties and their coordination to HgII","CrystEngComm","2016","18","19","3428","","10.1039/C6CE00338A","","","0.71073","MoKα","","0.0973","0.0366","","","0.0804","0.0929","","","","","","1.018","","","","has coordinates","185295","2020-10-21","18:00:00",""
"7224805","7.7077","0.0006","16.2385","0.0014","18.9449","0.0014","80.783","0.009","86.817","0.009","86.277","0.008","2333.2","0.3","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C16 H20 Br2 Hg N8 O S2 -","- C16 H16 Br2 Hg N8 O S2 -","- C64 H64 Br8 Hg4 N32 O4 S8 -","4","2","","Bermejo, Elena; Castiñeiras, Alfonso; García-Santos, Isabel; Rodríguez-Riobó, Raúl","In situ generation of functionalized 1,2,4-triazole-5-thiones containing pyridine or pyrazine moieties and their coordination to HgII","CrystEngComm","2016","18","19","3428","","10.1039/C6CE00338A","","","0.71073","MoKα","","0.2689","0.0675","","","0.1742","0.2457","","","","","","0.962","","","","has coordinates","185295","2020-10-21","18:00:00",""
"7224806","9.726","0.002","10.608","0.002","12.611","0.003","104.613","0.004","109.647","0.004","95.734","0.004","1161.1","0.4","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C36 H38 Cl4 Hg3 N16 S4 -","- C36 H38 Cl4 Hg3 N16 S4 -","- C36 H38 Cl4 Hg3 N16 S4 -","1","0.5","","Bermejo, Elena; Castiñeiras, Alfonso; García-Santos, Isabel; Rodríguez-Riobó, Raúl","In situ generation of functionalized 1,2,4-triazole-5-thiones containing pyridine or pyrazine moieties and their coordination to HgII","CrystEngComm","2016","18","19","3428","","10.1039/C6CE00338A","","","0.71073","MoKα","","0.0439","0.0291","","","0.0614","0.0665","","","","","","0.978","","","","has coordinates","185295","2020-10-21","18:00:00",""
"7224807","13.282","0.002","18.98","0.004","8.27","0.003","90","","90.328","0.008","90","","2084.8","0.9","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C18 H18 Hg N8 S2 -","- C18 H18 Hg N8 S2 -","- C72 H72 Hg4 N32 S8 -","4","0.5","","Bermejo, Elena; Castiñeiras, Alfonso; García-Santos, Isabel; Rodríguez-Riobó, Raúl","In situ generation of functionalized 1,2,4-triazole-5-thiones containing pyridine or pyrazine moieties and their coordination to HgII","CrystEngComm","2016","18","19","3428","","10.1039/C6CE00338A","","","0.71073","MoKα","","0.2068","0.0534","","","0.1015","0.1321","","","","","","0.945","","","","has coordinates","185295","2020-10-21","18:00:00",""
"7224808","7.1597","0.0002","6.3074","0.0002","38.1938","0.001","90","","90","","90","","1724.8","0.09","100","2","100","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C14 H12 Hg N10 S2 -","- C14 H12 Hg N10 S2 -","- C56 H48 Hg4 N40 S8 -","4","1","","Bermejo, Elena; Castiñeiras, Alfonso; García-Santos, Isabel; Rodríguez-Riobó, Raúl","In situ generation of functionalized 1,2,4-triazole-5-thiones containing pyridine or pyrazine moieties and their coordination to HgII","CrystEngComm","2016","18","19","3428","","10.1039/C6CE00338A","","","0.71073","MoKα","","0.0302","0.0274","","","0.054","0.0547","","","","","","1.2","","","","has coordinates","185295","2020-10-21","18:00:00",""
"7224809","14.646","0.016","10.045","0.011","15.852","0.017","90","","116.057","0.016","90","","2095","4","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C16 H16 Hg N10 S2 -","- C16 H16 Hg N10 S2 -","- C64 H64 Hg4 N40 S8 -","4","1","","Bermejo, Elena; Castiñeiras, Alfonso; García-Santos, Isabel; Rodríguez-Riobó, Raúl","In situ generation of functionalized 1,2,4-triazole-5-thiones containing pyridine or pyrazine moieties and their coordination to HgII","CrystEngComm","2016","18","19","3428","","10.1039/C6CE00338A","","","0.71073","MoKα","","0.0529","0.0306","","","0.0597","0.0651","","","","","","1.055","","","","has coordinates","185295","2020-10-21","18:00:00",""
"7224810","29.9017","0.0019","29.9017","0.0019","96.281","0.006","90","","90","","120","","74553","8","100","","100","2","","","","","","","","3","R 3 c :H","R 3 -2""c","161","","","","- C35.54 H40.21 O10.3 -","- C35.519 H40.1572 O10.2964 -","- C2557.37 H2891.32 O741.342 -","72","4","","Oliver, Clive L.; Báthori, Nikoletta B.; Jackson, Graham E.; Kuter, David; Cruickshank, Dyanne L.","Solid-state isolation of a unique, small-molecule, supra-heterodimer of large hexameric assemblies of C-methylcalix[4]resorcinarene","CrystEngComm","2016","18","17","3015","","10.1039/C6CE00698A","","","0.71073","MoKα","","0.0846","0.0577","","","0.1501","0.1653","","","","","","1.038","","","","has coordinates,has disorder","203909","2020-10-21","18:00:00",""
"7224811","12.971","0.003","9.3225","0.0019","17.182","0.003","90","","100.12","0.03","90","","2045.4","0.7","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C22 H15 N3 O0.75 -","- C22 H15 N3 O0.764 -","- C88 H60 N12 O3.056 -","4","1","","Neshat, Abdollah","Synthesis, characterization and photophysical properties of some 3,3′-bisindolyl(aryl)methanes","RSC Adv.","2016","6","39","32839","","10.1039/C6RA01391K","","x-ray","0.71073","MoKα","","0.2048","0.0738","","","0.1559","0.175","","","","","","0.824","","","","has coordinates","181506","2020-10-21","18:00:00",""
"7224812","12.5834","0.0007","10.2983","0.0006","21.547","0.0012","90","","98.706","0.003","90","","2760.1","0.3","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C34 H26 N4 Ni O4 -","- C34 H26 N4 Ni O4 -","- C136 H104 N16 Ni4 O16 -","4","1","","Ghorai, Pravat; Chakraborty, Anindita; Panja, Anangamohan; Mondal, Tapan K.; Saha, Amrita","Mono- and di-nuclear nickel(II) complexes derived from NNO donor ligands: Syntheses, crystal structures and magnetic studies of dinuclear analogues","RSC Adv.","2016","","","","","10.1039/C6RA02982E","","","0.71073","MoKα","","0.1101","0.0572","","","0.1316","0.1598","","","","","","1.022","","","","has coordinates","181507","2020-10-21","18:00:00",""
"7224813","9.488","0.003","10.734","0.004","11.133","0.004","73.787","0.007","68.999","0.007","84.003","0.007","1016.4","0.6","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C40 H36 N8 Ni2 O4 S2 -","- C40 H36 N8 Ni2 O4 S2 -","- C40 H36 N8 Ni2 O4 S2 -","1","0.5","","Ghorai, Pravat; Chakraborty, Anindita; Panja, Anangamohan; Mondal, Tapan K.; Saha, Amrita","Mono- and di-nuclear nickel(II) complexes derived from NNO donor ligands: Syntheses, crystal structures and magnetic studies of dinuclear analogues","RSC Adv.","2016","","","","","10.1039/C6RA02982E","","","0.71073","MoKα","","0.1338","0.1037","","","0.2514","0.2849","","","","","","1.078","","","","has coordinates","181507","2020-10-21","18:00:00",""
"7224814","18.6631","0.0005","18.8121","0.0005","19.0739","0.0005","90","","90","","90","","6696.7","0.3","298","2","298","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C35 H30 N10 Ni2 O5 -","- C35 H30 N10 Ni2 O5 -","- C280 H240 N80 Ni16 O40 -","8","1","","Ghorai, Pravat; Chakraborty, Anindita; Panja, Anangamohan; Mondal, Tapan K.; Saha, Amrita","Mono- and di-nuclear nickel(II) complexes derived from NNO donor ligands: Syntheses, crystal structures and magnetic studies of dinuclear analogues","RSC Adv.","2016","","","","","10.1039/C6RA02982E","","","0.71073","MoKα","","0.0447","0.0287","","","0.0642","0.0717","","","","","","1.021","","","","has coordinates","181507","2020-10-21","18:00:00",""
"7224815","14.6327","0.0002","16.7338","0.0002","37.5113","0.0004","90","","93.836","0.001","90","","9164.46","0.19","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C52 H60 N4 O4 -","- C52 H60 N4 O4 -","- C416 H480 N32 O32 -","8","1","","D'Alessio, Daniel; Krause-Heuer, Answen M; Skelton, Brian W.; Fraser, Benjamin Hugh; Massi, Massimiliano; Ogden, Mark Ian","Synthesis, structure and conformational mobility of tetra-substituted cyanomethoxy p-tert-butylcalix[4]arenes","RSC Adv.","2016","","","","","10.1039/C6RA05865E","","","0.71073","MoKα","","0.0774","0.0504","","","0.141","0.1488","","","","","","0.985","","","","has coordinates,has disorder","181508","2020-10-21","18:00:00",""
"7224816","21.0623","0.0005","21.8364","0.0003","25.8796","0.0005","90","","109.896","0.002","90","","11192.2","0.4","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C60 H80 N4 O6 -","- C60 H80 N4 O6 -","- C480 H640 N32 O48 -","8","2","","D'Alessio, Daniel; Krause-Heuer, Answen M; Skelton, Brian W.; Fraser, Benjamin Hugh; Massi, Massimiliano; Ogden, Mark Ian","Synthesis, structure and conformational mobility of tetra-substituted cyanomethoxy p-tert-butylcalix[4]arenes","RSC Adv.","2016","","","","","10.1039/C6RA05865E","","","0.71073","MoKα","","0.095","0.07","","","0.1463","0.1582","","","","","","1.102","","","","has coordinates,has disorder","181508","2020-10-21","18:00:00",""
"7224817","11.3151","0.0008","15.0871","0.0007","17.755","0.0012","86.04","0.005","80.157","0.006","76.643","0.005","2904.2","0.3","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C62 H86 N4 O7 -","- C62 H86 N4 O7 -","- C124 H172 N8 O14 -","2","1","","D'Alessio, Daniel; Krause-Heuer, Answen M; Skelton, Brian W.; Fraser, Benjamin Hugh; Massi, Massimiliano; Ogden, Mark Ian","Synthesis, structure and conformational mobility of tetra-substituted cyanomethoxy p-tert-butylcalix[4]arenes","RSC Adv.","2016","","","","","10.1039/C6RA05865E","","","0.71073","MoKα","","0.104","0.0638","","","0.1408","0.1626","","","","","","1.014","","","","has coordinates","181508","2020-10-21","18:00:00",""
"7224818","11.2306","0.0005","12.9547","0.0005","16.8293","0.0007","78.456","0.003","71.355","0.004","75.486","0.004","2226.64","0.17","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C50 H59 N3 O4 -","- C50 H59 N3 O4 -","- C100 H118 N6 O8 -","2","1","","D'Alessio, Daniel; Krause-Heuer, Answen M; Skelton, Brian W.; Fraser, Benjamin Hugh; Massi, Massimiliano; Ogden, Mark Ian","Synthesis, structure and conformational mobility of tetra-substituted cyanomethoxy p-tert-butylcalix[4]arenes","RSC Adv.","2016","","","","","10.1039/C6RA05865E","","","0.71073","MoKα","","0.091","0.0641","","","0.1368","0.1496","","","","","","1.023","","","","has coordinates,has disorder","181508","2020-10-21","18:00:00",""
"7224819","10.6671","0.0005","12.4238","0.0005","21.0581","0.0009","81.96","0.004","79.731","0.004","84.962","0.004","2713.4","0.2","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C58 H76 N4 O6 -","- C58 H76 N4 O6 -","- C116 H152 N8 O12 -","2","1","","D'Alessio, Daniel; Krause-Heuer, Answen M; Skelton, Brian W.; Fraser, Benjamin Hugh; Massi, Massimiliano; Ogden, Mark Ian","Synthesis, structure and conformational mobility of tetra-substituted cyanomethoxy p-tert-butylcalix[4]arenes","RSC Adv.","2016","","","","","10.1039/C6RA05865E","","","0.71073","MoKα","","0.1144","0.0856","","","0.1905","0.2064","","","","","","1.088","","","","has coordinates,has disorder","181508","2020-10-21","18:00:00",""
"7224820","12.038","0.0006","14.1246","0.0007","20.2492","0.001","90","","99.247","0.001","90","","3398.3","0.3","288","2","288","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","(E)-2-(4-(2-(9-octyl-9H-carbazol-3-yl)vinyl)phenyl)-3,3-diphenylacrylonitrile","","- C43 H40 N2 -","- C43 H40 N2 -","- C172 H160 N8 -","4","1","","Zhan, Yong; Gong, Peng; Yang, Peng; Jin, Zhe; Bao, Ying; Li, Ying; Xu, Yongnan","Aggregation-induced emission and reversible mechanochromic luminescence of carbazole-based triphenylacrylonitrile derivatives","RSC Adv.","2016","6","39","32697","","10.1039/C6RA03310E","","","0.71073","MoKα","","0.0936","0.0649","","","0.1629","0.1824","","","","","","1.037","","","","has coordinates","181509","2020-10-21","18:00:00",""
"7224821","7.626","0.0015","14.043","0.003","16.787","0.003","90","","98.269","0.003","90","","1779.1","0.6","298","2","298","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C20 H12 Cl2 N2 S Zn -","- C20 H12 Cl2 N2 S Zn -","- C80 H48 Cl8 N8 S4 Zn4 -","4","1","","Zareh Jonaghani, Mohammad; Zali Boeini, Hassan; Taheri, Reza; Amiri Rudbari, Hadi; Askari, Banafshe","Naphthothiazole-Based Highly Selective and Sensitive Fluorescent and Colorimetric Chemosensor for Detection of Pollutant Metal Ions","RSC Adv.","2016","","","","","10.1039/C6RA03689A","","","0.71073","MoKα","","0.0803","0.048","","","0.1218","0.1446","","","","","","1.112","","","","has coordinates","181510","2020-10-21","18:00:00",""
"7224822","7.052","0.004","10.386","0.006","11.404","0.007","85.415","0.009","77.055","0.01","77.165","0.009","793.3","0.8","296","2","296.15","","","","","","","","","5","P -1","-P 1","2","","","","- C17 H12 Cu N4 O5 -","- C17 H12 Cu N4 O5 -","- C34 H24 Cu2 N8 O10 -","2","1","","hu, kun; Zhou, Guimei; Zhang, Zhong; Li, Jingui; Li, Feiyan; Liang, Fupei","Two hydrazone Copper (II) complexes: Synthesis, crystal structure, cytotoxicity, and action mechanism","RSC Adv.","2016","","","","","10.1039/C6RA03478K","","","0.71073","MoKα","","0.0588","0.035","","","0.0771","0.0851","","","","","","1.034","","","","has coordinates,has disorder","181846","2020-10-21","18:00:00",""
"7224823","6.9484","0.0011","15.176","0.002","16.475","0.002","90.222","0.011","90.699","0.012","91.171","0.012","1736.8","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H14 Cu N4 O6 -","- C18 H14 Cu N4 O6 -","- C72 H56 Cu4 N16 O24 -","4","2","","hu, kun; Zhou, Guimei; Zhang, Zhong; Li, Jingui; Li, Feiyan; Liang, Fupei","Two hydrazone Copper (II) complexes: Synthesis, crystal structure, cytotoxicity, and action mechanism","RSC Adv.","2016","","","","","10.1039/C6RA03478K","","","0.7107","MoKα","","0.1507","0.0861","","","0.1625","0.1925","","","","","","1.08","","","","has coordinates","181846","2020-10-21","18:00:00",""
"7224824","12.1904","0.0013","3.9703","0.0003","25.5341","0.0019","90","","90","","90","","1235.84","0.19","291","2","291.15","","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C15 H9 Br O2 -","- C15 H9 Br O2 -","- C60 H36 Br4 O8 -","4","1","","Yuan, Jinwei; Yang, Liangru; Yin, Qiuyue; Mao, Pu; Qu, Ling-Bo","KMnO4/AcOH-mediated C3-selective direct arylation of coumarins with arylboronic acids","RSC Adv.","2016","","","","","10.1039/C6RA04787D","","x-ray","0.71073","MoKα","","0.0831","0.0491","","","0.0917","0.1051","","","","","","1.016","","","","has coordinates","181847","2020-10-21","18:00:00",""
"7224825","9.9037","0.0016","10.603","0.002","13.511","0.003","71.175","0.019","88.013","0.015","88.035","0.015","1341.7","0.5","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H18 B N O2 -","- C14 H18 B N O2 -","- C56 H72 B4 N4 O8 -","4","2","","Panda, Tarun Kanti Kanti; Harinath, A.; Anga, Srinivas","Alkali Metal Catalyzed Dehydro-coupling of Boranes and Amines Leading to the Formation of B-N Bond","RSC Adv.","2016","","","","","10.1039/C6RA04125F","","","1.54184","CuKα","","0.1598","0.1084","","","0.331","0.3779","","","","","","1.135","","","","has coordinates","181848","2020-10-21","18:00:00",""
"7224826","9.135","0.0004","11.0789","0.0005","11.9804","0.0005","92.071","0.002","94.009","0.002","112.747","0.002","1112.81","0.09","298","2","298","2","","","","","","","","6","P -1","-P 1","2","coppercompound","","","- C17 H15 Cu N3 O10 S2 -","- C17 H15 Cu N3 O10 S2 -","- C34 H30 Cu2 N6 O20 S4 -","2","1","","mandal, sukhendu; sarkar, debraj; Rao, Purnachandra; Aiyappa, Harshitha Barike; Kurungot, Sreekumar; Mandal, sudip; Ramanujam, Kothandaraman","Multifunctional Copper Dimer: Structure, Band Gap Energy, Catalysis, Magnetism, Oxygen Reduction Reaction and Proton Conductivity","RSC Adv.","2016","","","","","10.1039/C6RA05961A","","","0.71073","MoKα","","0.0443","0.0387","","","0.1168","0.1217","","","","","","1.067","","","","has coordinates","181849","2020-10-21","18:00:00",""
"7224827","7.23","0.0002","13.548","0.0005","22.425","0.0007","90","","90","","90","","2196.57","0.12","133","2","133","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C24 H31 Ir N2 O -","- C24 H30 Ir N2 O -","- C96 H120 Ir4 N8 O4 -","4","1","","Kumar, Prashant; Irrgang, Torsten; Kostakis, George E.; Kempe, Rhett","Phosphine-free Chiral Iridium Catalysts for Asymmetric Catalytic Hydrogenation of Simple Ketones","RSC Adv.","2016","","","","","10.1039/C6RA04524C","","","0.71069","MoKα","","0.0281","0.0268","","","0.0632","0.0636","","","","","","1.064","","","","has coordinates","181850","2020-10-21","18:00:00",""
"7224828","34.926","0.0006","10.338","0.0003","23.438","0.0004","90","","131.149","0.003","90","","6372.4","0.4","133","2","133","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C38 H48 Ir2 N2 O -","- C38 H48 Ir2 N2 O -","- C304 H384 Ir16 N16 O8 -","8","1","","Kumar, Prashant; Irrgang, Torsten; Kostakis, George E.; Kempe, Rhett","Phosphine-free Chiral Iridium Catalysts for Asymmetric Catalytic Hydrogenation of Simple Ketones","RSC Adv.","2016","","","","","10.1039/C6RA04524C","","","0.71069","MoKα","","0.0533","0.0438","","","0.1068","0.1106","","","","","","0.963","","","","has coordinates","181850","2020-10-21","18:00:00",""
"7224829","13.383","0.0003","13.524","0.0003","17.438","0.0004","90","","90","","90","","3156.13","0.12","133","2","133","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C32 H51 Ir N4 O2 -","- C32 H51 Ir N4 O2 -","- C128 H204 Ir4 N16 O8 -","4","1","","Kumar, Prashant; Irrgang, Torsten; Kostakis, George E.; Kempe, Rhett","Phosphine-free Chiral Iridium Catalysts for Asymmetric Catalytic Hydrogenation of Simple Ketones","RSC Adv.","2016","","","","","10.1039/C6RA04524C","","","0.71069","MoKα","","0.0248","0.0239","","","0.0591","0.0594","","","","","","1.053","","","","has coordinates","181850","2020-10-21","18:00:00",""
"7224830","9.572","0.0004","10.428","0.0004","14.478","0.0007","90","","105.083","0.004","90","","1395.36","0.11","133","2","133","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C32 H44 Ir2 N2 O -","- C32 H44 Ir2 N2 O -","- C64 H88 Ir4 N4 O2 -","2","1","","Kumar, Prashant; Irrgang, Torsten; Kostakis, George E.; Kempe, Rhett","Phosphine-free Chiral Iridium Catalysts for Asymmetric Catalytic Hydrogenation of Simple Ketones","RSC Adv.","2016","","","","","10.1039/C6RA04524C","","","0.71069","MoKα","","0.072","0.0615","","","0.1541","0.1609","","","","","","0.97","","","","has coordinates","181850","2020-10-21","18:00:00",""
"7224831","11.705","0.0005","9.417","0.0004","12.445","0.0005","90","","113.115","0.003","90","","1261.64","0.1","133","2","133","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C27 H40 Ir2 N2 O -","- C27 H40 Ir2 N2 O -","- C54 H80 Ir4 N4 O2 -","2","1","","Kumar, Prashant; Irrgang, Torsten; Kostakis, George E.; Kempe, Rhett","Phosphine-free Chiral Iridium Catalysts for Asymmetric Catalytic Hydrogenation of Simple Ketones","RSC Adv.","2016","","","","","10.1039/C6RA04524C","","","0.71069","MoKα","","0.0284","0.0263","","","0.06","0.0605","","","","","","1.027","","","","has coordinates","181850","2020-10-21","18:00:00",""
"7224832","10.958","0.0006","11.29","0.0006","12.42","0.0007","90","","94.073","0.005","90","","1532.67","0.15","133","2","133","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C32 H44 Cl2 N2 O Rh2 -","- C32 H44 Cl2 N2 O Rh2 -","- C64 H88 Cl4 N4 O2 Rh4 -","2","1","","Kumar, Prashant; Irrgang, Torsten; Kostakis, George E.; Kempe, Rhett","Phosphine-free Chiral Iridium Catalysts for Asymmetric Catalytic Hydrogenation of Simple Ketones","RSC Adv.","2016","","","","","10.1039/C6RA04524C","","","0.71069","MoKα","","0.0317","0.0308","","","0.0728","0.075","","","","","","1.083","","","","has coordinates","181850","2020-10-21","18:00:00",""
"7224833","12.735","0.004","11.493","0.004","15.844","0.004","90","","123.376","0.017","90","","1936.5","1.1","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C23 H20 N4 O2 -","- C23 H20 N4 O2 -","- C92 H80 N16 O8 -","4","1","","Jiang, Yan-Hong; Xiao, Man; Yan, Chao Guo","Convenient synthesis of functionalized pyrrolo[3,4-b]pyridines and pyrrolo[3,4-b]quinolines via three-component reactions","RSC Adv.","2016","","","","","10.1039/C6RA03165J","","","0.71073","MoKα","","0.118","0.0565","","","0.1179","0.1403","","","","","","1.014","","","","has coordinates","181851","2020-10-21","18:00:00",""
"7224834","26.111","0.016","9.63","0.005","19.502","0.011","90","","110.954","0.018","90","","4579","5","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C22 H19 Cl N4 O3 -","- C22 H19 Cl N4 O3 -","- C176 H152 Cl8 N32 O24 -","8","1","","Jiang, Yan-Hong; Xiao, Man; Yan, Chao Guo","Convenient synthesis of functionalized pyrrolo[3,4-b]pyridines and pyrrolo[3,4-b]quinolines via three-component reactions","RSC Adv.","2016","","","","","10.1039/C6RA03165J","","","0.71073","MoKα","","0.0662","0.0514","","","0.1379","0.1453","","","","","","1.086","","","","has coordinates","181851","2020-10-21","18:00:00",""
"7224835","9.21","0.001","10.2429","0.0011","15.4674","0.0018","103.787","0.003","97.732","0.003","100.546","0.003","1368.7","0.3","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C27 H27 Cl N2 O4 -","- C27 H27 Cl N2 O4 -","- C54 H54 Cl2 N4 O8 -","2","1","","Jiang, Yan-Hong; Xiao, Man; Yan, Chao Guo","Convenient synthesis of functionalized pyrrolo[3,4-b]pyridines and pyrrolo[3,4-b]quinolines via three-component reactions","RSC Adv.","2016","","","","","10.1039/C6RA03165J","","","0.71073","MoKα","","0.0815","0.0553","","","0.1551","0.1664","","","","","","1.086","","","","has coordinates","181851","2020-10-21","18:00:00",""
"7224836","18.3822","0.0014","10.3349","0.0009","21.4316","0.0018","90","","90","","90","","4071.5","0.6","296","2","296","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C25 H22 N2 O3 -","- C25 H22 N2 O3 -","- C200 H176 N16 O24 -","8","1","","Jiang, Yan-Hong; Xiao, Man; Yan, Chao Guo","Convenient synthesis of functionalized pyrrolo[3,4-b]pyridines and pyrrolo[3,4-b]quinolines via three-component reactions","RSC Adv.","2016","","","","","10.1039/C6RA03165J","","","0.71073","MoKα","","0.0902","0.054","","","0.1267","0.1438","","","","","","1.022","","","","has coordinates","181851","2020-10-21","18:00:00",""
"7224837","9.8773","0.0012","10.753","0.0013","12.1284","0.0014","72.632","0.004","84.794","0.004","80.203","0.004","1210.4","0.3","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C27 H25 N3 O6 -","- C27 H25 N3 O6 -","- C54 H50 N6 O12 -","2","1","","Jiang, Yan-Hong; Xiao, Man; Yan, Chao Guo","Convenient synthesis of functionalized pyrrolo[3,4-b]pyridines and pyrrolo[3,4-b]quinolines via three-component reactions","RSC Adv.","2016","","","","","10.1039/C6RA03165J","","","0.71073","MoKα","","0.0874","0.0548","","","0.1501","0.172","","","","","","1.048","","","","has coordinates","181851","2020-10-21","18:00:00",""
"7224838","10.4623","0.0014","18.222","0.002","24.717","0.003","90","","108.973","0.005","90","","4456.1","1","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C25 H21 Br N2 O3 -","- C25 H21 Br N2 O3 -","- C200 H168 Br8 N16 O24 -","8","2","","Jiang, Yan-Hong; Xiao, Man; Yan, Chao Guo","Convenient synthesis of functionalized pyrrolo[3,4-b]pyridines and pyrrolo[3,4-b]quinolines via three-component reactions","RSC Adv.","2016","","","","","10.1039/C6RA03165J","","","0.71073","MoKα","","0.095","0.0514","","","0.1438","0.1569","","","","","","1.054","","","","has coordinates","181851","2020-10-21","18:00:00",""
"7224839","9.152","0.003","9.804","0.004","27.36","0.01","90","","90","","90","","2454.9","1.6","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C23 H35 N3 O6 -","- C23 H35 N3 O6 -","- C92 H140 N12 O24 -","4","1","","HALDAR, DEBASISH; Pramanik, Apurba; Paikar, Arpita; Das, Tanmay; Maji, Krishnendu","Self-assembled peptide microspheres for sustainable release of sulfamethoxazole","RSC Adv.","2016","","","","","10.1039/C6RA07095G","","","0.71073","MoKα","","0.0773","0.0534","","","0.1126","0.1232","","","","","","1.04","","","","has coordinates","181852","2020-10-21","18:00:00",""
"7224840","8.31575","0.00011","20.776","0.0002","29.5002","0.0004","90","","90","","90","","5096.69","0.11","100.01","0.1","100.01","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C23 H35 N3 O7 -","- C23 H35 N3 O7 -","- C184 H280 N24 O56 -","8","2","","HALDAR, DEBASISH; Pramanik, Apurba; Paikar, Arpita; Das, Tanmay; Maji, Krishnendu","Self-assembled peptide microspheres for sustainable release of sulfamethoxazole","RSC Adv.","2016","","","","","10.1039/C6RA07095G","","x-ray","1.54184","CuKα","","0.0352","0.0341","","","0.087","0.088","","","","","","1.042","","","","has coordinates","194155","2020-10-21","18:00:00",""
"7224841","11.18176","0.00015","15.2528","0.0002","19.3375","0.0003","90","","90.2091","0.0012","90","","3298.05","0.08","150","","150","","","","","","","","synthesized","5","P 1 c 1","P -2yc","7","","[HHTP.TBA.Cl]n","","- C68 H96 Cl2 N2 O12 -","- C68 H96 Cl2 N2 O12 -","- C136 H192 Cl4 N4 O24 -","2","1","","Morshedi, Mahbod; Willis, Anthony C.; White, Nicholas G.","Anion-templated 2D frameworks from hexahydroxytriphenylene","CrystEngComm","2016","18","23","4281","","10.1039/C6CE00297H","","","1.54184","CuKα","","0.0416","0.0403","","0.1067","0.1055","0.1067","","","","","","0.9297","","","","has coordinates,has disorder","185277","2020-10-21","18:00:00",""
"7224842","21.6122","0.0005","16.4917","0.0003","21.8385","0.0005","90","","117.021","0.003","90","","6934","0.3","150","","150","","","","","","","","synthesized","5","P 1 21/c 1","-P 2ybc","14","","[HHTP.TBA.I]n","","- C68 H97 I2 N2 O12.5 -","- C68 H97 I2 N2 O12.5 -","- C272 H388 I8 N8 O50 -","4","1","","Morshedi, Mahbod; Willis, Anthony C.; White, Nicholas G.","Anion-templated 2D frameworks from hexahydroxytriphenylene","CrystEngComm","2016","18","23","4281","","10.1039/C6CE00297H","","","0.71073","MoKα","","0.0542","0.0412","","0.0902","0.0825","0.0902","","","","","","0.9705","","","","has coordinates,has disorder","185277","2020-10-21","18:00:00",""
"7224843","12.7893","0.0003","16.0254","0.0004","17.4075","0.0004","90","","93.462","0.002","90","","3561.22","0.15","150","","150","","","","","","","","synthesized","5","P 1 21/n 1","-P 2yn","14","","[HHTP.TBA.H2PO4]n","","- C35 H54 N O11 P -","- C35 H54 N O11 P -","- C140 H216 N4 O44 P4 -","4","1","","Morshedi, Mahbod; Willis, Anthony C.; White, Nicholas G.","Anion-templated 2D frameworks from hexahydroxytriphenylene","CrystEngComm","2016","18","23","4281","","10.1039/C6CE00297H","","","0.71073","MoKα","","0.0692","0.0489","","0.1219","0.1056","0.1219","","","","","","0.9473","","","","has coordinates,has disorder","185277","2020-10-21","18:00:00",""
"7224844","13.0411","0.0002","16.2078","0.0003","16.6185","0.0002","90","","90.0656","0.0014","90","","3512.61","0.09","150","","150","","","","","","","","synthesized","4","P 1 21/n 1","-P 2yn","14","","[HHTP.TBA.OAc]n","","- C37 H55 N O9 -","- C37 H55 N O9 -","- C148 H220 N4 O36 -","4","1","","Morshedi, Mahbod; Willis, Anthony C.; White, Nicholas G.","Anion-templated 2D frameworks from hexahydroxytriphenylene","CrystEngComm","2016","18","23","4281","","10.1039/C6CE00297H","","","1.54184","CuKα","","0.0817","0.0771","","0.2184","0.2146","0.2184","","","","","","0.9951","","","","has coordinates,has disorder","185277","2020-10-21","18:00:00",""
"7224845","20.01455","0.00017","15.41266","0.00017","22.3318","0.00014","90","","90.0507","0.0007","90","","6888.85","0.11","150","","150","","","","","","","","synthesized","5","P 1 21/c 1","-P 2ybc","14","","[HHTP.TBA.MeOSO3]n","","- C70 H102 N2 O20 S2 -","- C70 H102 N2 O20 S2 -","- C280 H408 N8 O80 S8 -","4","1","","Morshedi, Mahbod; Willis, Anthony C.; White, Nicholas G.","Anion-templated 2D frameworks from hexahydroxytriphenylene","CrystEngComm","2016","18","23","4281","","10.1039/C6CE00297H","","","1.54184","CuKα","","0.0491","0.0469","","0.1294","0.1266","0.1294","","","","","","0.968","","","","has coordinates,has disorder","185277","2020-10-21","18:00:00",""
"7224846","11.298","0.0002","15.7065","0.0004","17.8505","0.0004","90","","90.914","0.002","90","","3167.2","0.12","150","","150","","","","","","","","syntheszied","5","P 1 21/n 1","-P 2yn","14","","[HHTP.TEA.Cl]n","","- C30 H42 Cl N O7 -","- C30 H42 Cl N O7 -","- C120 H168 Cl4 N4 O28 -","4","1","","Morshedi, Mahbod; Willis, Anthony C.; White, Nicholas G.","Anion-templated 2D frameworks from hexahydroxytriphenylene","CrystEngComm","2016","18","23","4281","","10.1039/C6CE00297H","","","0.71073","MoKα","","0.1109","0.0951","","0.2305","0.2252","0.2305","","","","","","0.9826","","","","has coordinates,has disorder","185277","2020-10-21","18:00:00",""
"7224847","24.271","0.002","14.1584","0.0014","9.641","0.0009","90","","98.97","0.009","90","","3272.5","0.5","180.01","0.1","180.01","0.1","","","","","","","none","6","C 1 2 1","C 2y","5","CuI(ph-dppb)2","","","- C73 H58 Cl2 Cu2 I2 P4 -","- C73 H58 Cl2 Cu2 I2 P4 -","- C146 H116 Cl4 Cu4 I4 P8 -","2","0.5","","Li, Xiaoyue; Zhang, Juanye; Wei, Feng; Liu, Xiaochen; Liu, Zhiwei; Bian, Zuqiang; Huang, Chunhui","A series of dinuclear cuprous iodide complexes chelated with 1,2-bis(diphenylphosphino)benzene derivatives: structural, photophysical and thermal properties","CrystEngComm","2016","18","23","4388","","10.1039/C5CE02533H","","","0.71073","MoKα","","0.0828","0.0558","","","0.1079","0.1248","","","","","","1.034","","","","has coordinates","185278","2020-10-21","18:00:00",""
"7224848","19.5414","0.0011","14.573","0.0006","26.9535","0.0014","90","","113.268","0.007","90","","7051.4","0.7","180.01","0.1","180.01","0.1","","","","","","","","7","C 1 2/c 1","-C 2yc","15","[Cu(μ-I)OMe-dppb]2","4,5-dimethoxyl-1,2-bis(diphenylphosphino) benzene","","- C67 H62 Cl6 Cu2 I2 O4 P4 -","- C67 H62 Cl6 Cu2 I2 O4 P4 -","- C268 H248 Cl24 Cu8 I8 O16 P16 -","4","0.5","","Li, Xiaoyue; Zhang, Juanye; Wei, Feng; Liu, Xiaochen; Liu, Zhiwei; Bian, Zuqiang; Huang, Chunhui","A series of dinuclear cuprous iodide complexes chelated with 1,2-bis(diphenylphosphino)benzene derivatives: structural, photophysical and thermal properties","CrystEngComm","2016","18","23","4388","","10.1039/C5CE02533H","","","0.71073","MoKα","","0.0681","0.0429","","","0.09","0.1039","","","","","","1.023","","","","has coordinates","185278","2020-10-21","18:00:00",""
"7224849","13.6302","0.0006","13.8186","0.0005","18.0831","0.0007","110.055","0.003","104.744","0.003","97.913","0.003","2997.7","0.2","100.1","0.2","100.1","0.2","","","","","","","","6","P -1","-P 1","2","[Cu(μ-I)Pr-dppb]2","4-pyrrolyl-1,2-bis(diphenylphosphino)benzene copper(I) iodine","","- C68 H54 Cu2 I2 N2 P4 -","- C68 H54 Cu2 I2 N2 P4 -","- C136 H108 Cu4 I4 N4 P8 -","2","1","","Li, Xiaoyue; Zhang, Juanye; Wei, Feng; Liu, Xiaochen; Liu, Zhiwei; Bian, Zuqiang; Huang, Chunhui","A series of dinuclear cuprous iodide complexes chelated with 1,2-bis(diphenylphosphino)benzene derivatives: structural, photophysical and thermal properties","CrystEngComm","2016","18","23","4388","","10.1039/C5CE02533H","","","0.71073","MoKα","","0.0598","0.0367","","","0.0655","0.0786","","","","","","1.0742","","","","has coordinates","185278","2020-10-21","18:00:00",""
"7224850","10.8877","0.0012","11.9296","0.0013","11.9776","0.0014","70.521","0.002","64.322","0.001","64.679","0.002","1246.2","0.2","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C15 H22 Cd4 N6 O18 -","- C15 H22 Cd4 N6 O18 -","- C30 H44 Cd8 N12 O36 -","2","1","","Li, Shuang; Song, Jian; Ni, Jue chen; Wang, Zhi Nan; Gao, Xue; Shi, Zhan; Bai, Fengying; Xing, Yong Heng","Photoelectric properties and potential nitro derivatives sensing by a highly luminescent of Zn (II) and Cd (II) metal-organic frameworks assembled by the flexible hexapodal ligand, 1,3,5-triazine-2,4,6-triamine hexaacetic acid","RSC Adv.","2016","","","","","10.1039/C6RA01933A","","","0.71073","MoKα","","0.0962","0.0535","","","0.0957","0.1154","","","","","","1.027","","","","has coordinates","181952","2020-10-21","18:00:00",""
"7224851","9.7965","0.0005","19.2984","0.001","24.7574","0.0012","90","","90","","90","","4680.6","0.4","296","2","296","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C30 H44 N12 Na2 O34 Zn5 -","- C30 H44 N12 Na2 O34 Zn5 -","- C120 H176 N48 Na8 O136 Zn20 -","4","0.5","","Li, Shuang; Song, Jian; Ni, Jue chen; Wang, Zhi Nan; Gao, Xue; Shi, Zhan; Bai, Fengying; Xing, Yong Heng","Photoelectric properties and potential nitro derivatives sensing by a highly luminescent of Zn (II) and Cd (II) metal-organic frameworks assembled by the flexible hexapodal ligand, 1,3,5-triazine-2,4,6-triamine hexaacetic acid","RSC Adv.","2016","","","","","10.1039/C6RA01933A","","","0.71073","MoKα","","0.0975","0.0472","","","0.0872","0.1015","","","","","","1.009","","","","has coordinates","181952","2020-10-21","18:00:00",""
"7224852","22.5787","0.0012","9.4591","0.0006","12.7032","0.0008","90","","118.015","0.003","90","","2395.2","0.3","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C18 H20 Ag2 N10 O6.25 -","- C18 H20 Ag2 N10 O6.25 -","- C72 H80 Ag8 N40 O25 -","4","0.5","","Ding, Bin; Guo, Chao; Liu, Shi Xin; Cheng, Yue; Wu, Xiang Xia; Su, Xiu Mei; Liu, Yuan Yuan; Li, Yan","A unique multi-functional cationic luminescent metal‒organic nanotube for highly sensitive detection of dichromate and selective high capacity adsorption of Congo red","RSC Adv.","2016","6","40","33888","","10.1039/C6RA03576K","","","0.71073","MoKα","","0.0385","0.0304","","","0.0611","0.064","","","","","","1.044","","","","has coordinates","181953","2020-10-21","18:00:00",""
"7224853","7.2563","0.0004","10.4696","0.0005","12.6154","0.0005","113.702","0.004","96.023","0.004","97.909","0.004","855.53","0.08","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","ethanol-cis-dioxo-(2-oxobenzaldehyde isonicotinylhydrazonato)tungsten(VI)","","- C16 H17 N3 O6 W -","- C16 H17 N3 O6 W -","- C32 H34 N6 O12 W2 -","2","1","","Vrdoljak, Visnja; Pisk, Jana; Prugovečki, Biserka; Agustin, Dominique; Novak, Predrag; Matković-Čalogović, Dubravka","Dioxotungsten(VI) complexes with isoniazid-related hydrazones as (pre)catalysts for olefin epoxidation: solvent and ligand substituent effects","RSC Adv.","2016","","","","","10.1039/C6RA05067K","","","0.71073","MoKα","","0.0308","0.0269","","","0.0557","0.0585","","","","","","0.995","","","","has coordinates","181954","2020-10-21","18:00:00",""
"7224854","6.782","0.0003","30.3344","0.0016","7.9111","0.0005","90","","93.335","0.005","90","","1624.78","0.15","295","2","295","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","methanol-cis-dioxo-(2-oxobenzaldehyde isonicotinylhydrazonato)tungsten(VI)","","- C15 H15 N3 O6 W -","- C15 H15 N3 O6 W -","- C60 H60 N12 O24 W4 -","4","1","","Vrdoljak, Visnja; Pisk, Jana; Prugovečki, Biserka; Agustin, Dominique; Novak, Predrag; Matković-Čalogović, Dubravka","Dioxotungsten(VI) complexes with isoniazid-related hydrazones as (pre)catalysts for olefin epoxidation: solvent and ligand substituent effects","RSC Adv.","2016","","","","","10.1039/C6RA05067K","","","0.71073","MoKα","","0.0372","0.0251","","","0.0552","0.0579","","","","","","1.096","","","","has coordinates","181954","2020-10-21","18:00:00",""
"7224855","8.1744","0.0002","12.5034","0.0002","15.3736","0.0003","90","","97.032","0.002","90","","1559.48","0.06","295","2","295","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","ethanol-cis-dioxo-(syalicilyaldehide isonicotinylhydrazone)tungsten(VI)","","- C15 H15 N3 O5 W -","- C15 H15 N3 O5 W -","- C60 H60 N12 O20 W4 -","4","1","","Vrdoljak, Visnja; Pisk, Jana; Prugovečki, Biserka; Agustin, Dominique; Novak, Predrag; Matković-Čalogović, Dubravka","Dioxotungsten(VI) complexes with isoniazid-related hydrazones as (pre)catalysts for olefin epoxidation: solvent and ligand substituent effects","RSC Adv.","2016","","","","","10.1039/C6RA05067K","","","0.71073","MoKα","","0.0416","0.0235","","","0.0419","0.0438","","","","","","0.937","","","","has coordinates","181954","2020-10-21","18:00:00",""
"7224856","7.3569","0.0004","16.2269","0.0007","13.502","0.0011","90","","95.619","0.006","90","","1604.12","0.17","295","2","295","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","bis(acetylacetonato)dioxotungsten(VI) toluene solvate (2/1)","","- C13.5 H18 O6 W -","- C13.5 H18 O6 W -","- C54 H72 O24 W4 -","4","1","","Vrdoljak, Visnja; Pisk, Jana; Prugovečki, Biserka; Agustin, Dominique; Novak, Predrag; Matković-Čalogović, Dubravka","Dioxotungsten(VI) complexes with isoniazid-related hydrazones as (pre)catalysts for olefin epoxidation: solvent and ligand substituent effects","RSC Adv.","2016","","","","","10.1039/C6RA05067K","","","0.71073","MoKα","","0.052","0.0327","","","0.0802","0.0841","","","","","","1","","","","has coordinates,has disorder","181954","2020-10-21","18:00:00",""
"7224857","8.8377","0.0008","34.635","0.003","9.0028","0.0009","90","","118.185","0.001","90","","2428.9","0.4","200","2","200","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","4","[L4ZnEt]","","- C26 H37 N3 Zn -","- C26 H37 N3 Zn -","- C104 H148 N12 Zn4 -","4","1","","Chuang, Wan-Jung; Chen, Hsing-Yin; Chen, Wei-Ting; Chang, Heng Yi; Chiang, Michael, Y.; Hsu, Sodio C.N.; Chen, Hsuan-Ying","Steric and Chelating Ring Concerns on the L-Lactide Polymerization by Asymmetric β-Diketiminato Zinc Complexes","RSC Adv.","2016","","","","","10.1039/C6RA07453G","","","0.71073","MoKα","","0.0625","0.0437","","","0.0979","0.1053","","","","","","1.025","","","","has coordinates","181955","2020-10-21","18:00:00",""
"7224858","9.6519","0.0007","9.7012","0.0007","14.3904","0.0011","76.206","0.003","88.607","0.003","63.321","0.003","1163.94","0.15","200","2","200","2","","","","","","","","4","P -1","-P 1","2","","","","- C50 H70 N6 Zn2 -","- C50 H70 N6 Zn2 -","- C50 H70 N6 Zn2 -","1","0.5","","Chuang, Wan-Jung; Chen, Hsing-Yin; Chen, Wei-Ting; Chang, Heng Yi; Chiang, Michael, Y.; Hsu, Sodio C.N.; Chen, Hsuan-Ying","Steric and Chelating Ring Concerns on the L-Lactide Polymerization by Asymmetric β-Diketiminato Zinc Complexes","RSC Adv.","2016","","","","","10.1039/C6RA07453G","","","0.71073","MoKα","","0.0339","0.031","","","0.0824","0.0842","","","","","","1.037","","","","has coordinates","181955","2020-10-21","18:00:00",""
"7224859","10.6411","0.0006","14.0394","0.0007","14.2237","0.0008","90","","97.421","0.002","90","","2107.1","0.2","200","2","200","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C23 H31 N3 Zn -","- C23 H31 N3 Zn -","- C92 H124 N12 Zn4 -","4","1","","Chuang, Wan-Jung; Chen, Hsing-Yin; Chen, Wei-Ting; Chang, Heng Yi; Chiang, Michael, Y.; Hsu, Sodio C.N.; Chen, Hsuan-Ying","Steric and Chelating Ring Concerns on the L-Lactide Polymerization by Asymmetric β-Diketiminato Zinc Complexes","RSC Adv.","2016","","","","","10.1039/C6RA07453G","","","0.71073","MoKα","","0.0493","0.0374","","","0.0982","0.1044","","","","","","1.042","","","","has coordinates","181955","2020-10-21","18:00:00",""
"7224860","8.137","0.009","9.251","0.01","14.151","0.015","79.83","0.02","78.73","0.02","76.91","0.02","1007.7","1.9","200","2","200","2","","","","","","","","4","P -1","-P 1","2","","","","- C44 H58 N6 Zn2 -","- C44 H58 N6 Zn2 -","- C44 H58 N6 Zn2 -","1","0.5","","Chuang, Wan-Jung; Chen, Hsing-Yin; Chen, Wei-Ting; Chang, Heng Yi; Chiang, Michael, Y.; Hsu, Sodio C.N.; Chen, Hsuan-Ying","Steric and Chelating Ring Concerns on the L-Lactide Polymerization by Asymmetric β-Diketiminato Zinc Complexes","RSC Adv.","2016","","","","","10.1039/C6RA07453G","","","0.71073","MoKα","","0.1526","0.0866","","","0.2035","0.24","","","","","","0.997","","","","has coordinates","181955","2020-10-21","18:00:00",""
"7224861","9.3914","0.0008","10.7363","0.001","11.2888","0.0009","99.922","0.004","100.271","0.004","101.376","0.005","1072.3","0.16","200","2","200","2","","","","","","","","3","P -1","-P 1","2","","","","- C23 H31 N3 -","- C23 H31 N3 -","- C46 H62 N6 -","2","1","","Chuang, Wan-Jung; Chen, Hsing-Yin; Chen, Wei-Ting; Chang, Heng Yi; Chiang, Michael, Y.; Hsu, Sodio C.N.; Chen, Hsuan-Ying","Steric and Chelating Ring Concerns on the L-Lactide Polymerization by Asymmetric β-Diketiminato Zinc Complexes","RSC Adv.","2016","","","","","10.1039/C6RA07453G","","","0.71073","MoKα","","0.1011","0.0886","","","0.2536","0.263","","","","","","1.075","","","","has coordinates","181955","2020-10-21","18:00:00",""
"7224862","5.9494","0.0006","22.142","0.002","36.396","0.004","90","","91.449","0.003","90","","4793","0.8","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C16 H11 F4 I N4 -","- C16 H11 F4 I N4 -","- C192 H132 F48 I12 N48 -","12","3","","Cavallo, Gabriella; Metrangolo, Pierangelo; Pilati, Tullio; Resnati, Giuseppe; Scrivanti, Alberto; Aversa, Manuela; Cariati, Elena","One “Click” access to self-complementary molecular modules for halogen bonding","RSC Adv.","2016","","","","","10.1039/C6RA05341F","","","0.71073","MoKα","","0.0814","0.0619","","","0.1427","0.1547","","","","","","1.045","","","","has coordinates","182221","2020-10-21","18:00:00",""
"7224863","10.7414","0.0006","11.2551","0.0006","16.1946","0.0008","84.01","0.003","77.531","0.003","69.651","0.003","1791.45","0.17","110","2","110","2","","","","","","","","4","P -1","-P 1","2","","","","- C46 H38 N4 O6 -","- C46 H38 N4 O6 -","- C92 H76 N8 O12 -","2","1","","Roy, Sandipan; Titi, Hatem M.; Goldberg, Israel","Supramolecular organic frameworks (SOFs) of tetrakis(4-hydroxyphenyl)porphyrin with efficient guest inclusion","CrystEngComm","2016","18","19","3372","","10.1039/C6CE00518G","","","0.71073","MoKα","","0.0686","0.0523","","","0.1322","0.1431","","","","","","1.019","","","","has coordinates","185293","2020-10-21","18:00:00",""
"7224864","13.8522","0.0015","15.6089","0.0016","15.8464","0.0015","65.532","0.003","83.496","0.003","89.872","0.003","3094.7","0.6","110","2","110","2","","","","","","","","4","P -1","-P 1","2","","","","- C92 H60 N4 O4 -","- C92 H60 N4 O4 -","- C184 H120 N8 O8 -","2","1","","Roy, Sandipan; Titi, Hatem M.; Goldberg, Israel","Supramolecular organic frameworks (SOFs) of tetrakis(4-hydroxyphenyl)porphyrin with efficient guest inclusion","CrystEngComm","2016","18","19","3372","","10.1039/C6CE00518G","","","0.71073","MoKα","","0.0874","0.0604","","","0.1476","0.1637","","","","","","1.017","","","","has coordinates","185293","2020-10-21","18:00:00",""
"7224865","13.5292","0.0005","20.5192","0.0006","11.5369","0.0004","90","","107.657","0.001","90","","3051.86","0.18","110","2","110","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C43 H30 N3 O2 -","- C43 H30 N3 O2 -","- C172 H120 N12 O8 -","4","1","","Roy, Sandipan; Titi, Hatem M.; Goldberg, Israel","Supramolecular organic frameworks (SOFs) of tetrakis(4-hydroxyphenyl)porphyrin with efficient guest inclusion","CrystEngComm","2016","18","19","3372","","10.1039/C6CE00518G","","","0.71073","MoKα","","0.0548","0.0429","","","0.1073","0.1148","","","","","","1.044","","","","has coordinates","185293","2020-10-21","18:00:00",""
"7224866","11.44","0.0007","20.592","0.0012","14.745","0.0009","90","","110.377","0.003","90","","3256.1","0.3","110","2","110","2","","","","","","","","4","C 1 2/m 1","-C 2y","12","","","","- C94 H64 N6 O4 -","- C94 H64 N6 O4 -","- C188 H128 N12 O8 -","2","0.25","","Roy, Sandipan; Titi, Hatem M.; Goldberg, Israel","Supramolecular organic frameworks (SOFs) of tetrakis(4-hydroxyphenyl)porphyrin with efficient guest inclusion","CrystEngComm","2016","18","19","3372","","10.1039/C6CE00518G","","","0.71073","MoKα","","0.0657","0.0481","","","0.1204","0.1333","","","","","","1.032","","","","has coordinates","185293","2020-10-21","18:00:00",""
"7224867","16.1034","0.0006","23.3602","0.0009","15.3638","0.0005","90","","113.178","0.002","90","","5313","0.3","110","2","110","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C66.7 H54.8 N6 O6.7 -","- C65 H48 N6 O5 -","- C260 H192 N24 O20 -","4","1","","Roy, Sandipan; Titi, Hatem M.; Goldberg, Israel","Supramolecular organic frameworks (SOFs) of tetrakis(4-hydroxyphenyl)porphyrin with efficient guest inclusion","CrystEngComm","2016","18","19","3372","","10.1039/C6CE00518G","","","0.71073","MoKα","","0.0947","0.0613","","","0.1582","0.1785","","","","","","1.015","","","","has coordinates","185293","2020-10-21","18:00:00",""
"7224868","32.937","0.004","6.2835","0.0005","29.547","0.003","90","","119.674","0.004","90","","5313.1","1","110","2","110","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C61.5 H62 N6 O9.5 -","- C56 H40 N6 O4 -","- C224 H160 N24 O16 -","4","0.5","","Roy, Sandipan; Titi, Hatem M.; Goldberg, Israel","Supramolecular organic frameworks (SOFs) of tetrakis(4-hydroxyphenyl)porphyrin with efficient guest inclusion","CrystEngComm","2016","18","19","3372","","10.1039/C6CE00518G","","","0.71073","MoKα","","0.1047","0.0645","","","0.1667","0.1813","","","","","","0.965","","","","has coordinates","185293","2020-10-21","18:00:00",""
"7224869","6.0722","0.0005","15.4167","0.0016","16.9383","0.0018","88.096","0.004","86.696","0.004","85.177","0.004","1576.8","0.3","110","2","110","2","","","","","","","","4","P -1","-P 1","2","","","","- C82 H62 N10 O6 -","- C82 H62 N10 O6 -","- C82 H62 N10 O6 -","1","0.5","","Roy, Sandipan; Titi, Hatem M.; Goldberg, Israel","Supramolecular organic frameworks (SOFs) of tetrakis(4-hydroxyphenyl)porphyrin with efficient guest inclusion","CrystEngComm","2016","18","19","3372","","10.1039/C6CE00518G","","","0.71073","MoKα","","0.0564","0.043","","","0.1042","0.1126","","","","","","1.028","","","","has coordinates","185293","2020-10-21","18:00:00",""
"7224870","11.5191","0.0006","8.0183","0.0005","12.9595","0.0008","90","","100.259","0.003","90","","1177.85","0.12","293","","293","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C9 H13 Ce O7 -","- C9 H11 Ce O7 -","- C36 H44 Ce4 O28 -","4","1","","Russell, Samantha E.; Gosset, Cyrille; Agache, Xavier; Volkringer, Christophe; Henry, Natacha; Decadt, Roel; Van Deun, Rik; Visseaux, Marc; Loiseau, Thierry","A new series of trivalent lanthanide (Ce, Pr, Nd, Sm, Eu, Gd, Tb, Dy) coordination polymers with a 1,2-cyclohexanedicarboxylate ligand: synthesis, crystal structure, luminescence and catalytic properties","CrystEngComm","2016","18","20","3594","","10.1039/C6CE00101G","","x-ray","0.71073","MoKα","","0.0484","0.0371","","","0.0453","0.0465","","","","1.3","1.3","1.24","","","","has coordinates","185235","2020-10-21","18:00:00",""
"7224871","11.5115","0.0003","7.9773","0.0002","13.0081","0.0003","90","","100.209","0.001","90","","1175.63","0.05","293","","293","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C9 H13 O7 Pr -","- C9 H11 O7 Pr -","- C36 H44 O28 Pr4 -","4","1","","Russell, Samantha E.; Gosset, Cyrille; Agache, Xavier; Volkringer, Christophe; Henry, Natacha; Decadt, Roel; Van Deun, Rik; Visseaux, Marc; Loiseau, Thierry","A new series of trivalent lanthanide (Ce, Pr, Nd, Sm, Eu, Gd, Tb, Dy) coordination polymers with a 1,2-cyclohexanedicarboxylate ligand: synthesis, crystal structure, luminescence and catalytic properties","CrystEngComm","2016","18","20","3594","","10.1039/C6CE00101G","","x-ray","0.71073","MoKα","","0.0728","0.0438","","","0.0514","0.0529","","","","2.37","2.37","2.02","","","","has coordinates","185235","2020-10-21","18:00:00",""
"7224872","11.4812","0.0002","7.9164","0.0001","12.9995","0.0003","90","","100.355","0.002","90","","1162.28","0.04","293","","293","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C9 H13 Nd O7 -","- C9 H11 Nd O7 -","- C36 H44 Nd4 O28 -","4","1","","Russell, Samantha E.; Gosset, Cyrille; Agache, Xavier; Volkringer, Christophe; Henry, Natacha; Decadt, Roel; Van Deun, Rik; Visseaux, Marc; Loiseau, Thierry","A new series of trivalent lanthanide (Ce, Pr, Nd, Sm, Eu, Gd, Tb, Dy) coordination polymers with a 1,2-cyclohexanedicarboxylate ligand: synthesis, crystal structure, luminescence and catalytic properties","CrystEngComm","2016","18","20","3594","","10.1039/C6CE00101G","","x-ray","0.71073","MoKα","","0.0826","0.0541","","","0.0621","0.0679","","","","1.19","1.19","1.1","","","","has coordinates","185235","2020-10-21","18:00:00",""
"7224873","11.4339","0.0001","7.8472","0.0001","13.0074","0.0002","90","","100.188","0.0006","90","","1148.67","0.03","293","","293","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C9 H13 O7 Sm -","- C9 H11 O7 Sm -","- C36 H44 O28 Sm4 -","4","1","","Russell, Samantha E.; Gosset, Cyrille; Agache, Xavier; Volkringer, Christophe; Henry, Natacha; Decadt, Roel; Van Deun, Rik; Visseaux, Marc; Loiseau, Thierry","A new series of trivalent lanthanide (Ce, Pr, Nd, Sm, Eu, Gd, Tb, Dy) coordination polymers with a 1,2-cyclohexanedicarboxylate ligand: synthesis, crystal structure, luminescence and catalytic properties","CrystEngComm","2016","18","20","3594","","10.1039/C6CE00101G","","x-ray","0.71073","MoKα","","0.0309","0.0198","","","0.024","0.0315","","","","1.29","1.29","1.52","","","","has coordinates","185235","2020-10-21","18:00:00",""
"7224874","11.4283","0.0006","7.8226","0.0004","13.0064","0.0006","90","","100.148","0.002","90","","1144.57","0.1","293","","293","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C9 H13 Eu O7 -","- C9 H11 Eu O7 -","- C36 H44 Eu4 O28 -","4","1","","Russell, Samantha E.; Gosset, Cyrille; Agache, Xavier; Volkringer, Christophe; Henry, Natacha; Decadt, Roel; Van Deun, Rik; Visseaux, Marc; Loiseau, Thierry","A new series of trivalent lanthanide (Ce, Pr, Nd, Sm, Eu, Gd, Tb, Dy) coordination polymers with a 1,2-cyclohexanedicarboxylate ligand: synthesis, crystal structure, luminescence and catalytic properties","CrystEngComm","2016","18","20","3594","","10.1039/C6CE00101G","","x-ray","0.71073","MoKα","","0.0719","0.0418","","","0.0431","0.0448","","","","2.41","2.41","2.08","","","","has coordinates","185235","2020-10-21","18:00:00",""
"7224875","11.3797","0.0006","7.7495","0.0004","12.9729","0.0006","90","","99.988","0.002","90","","1126.7","0.1","293","","293","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C9 H13 O7 Tb -","- C9 H11 O7 Tb -","- C36 H44 O28 Tb4 -","4","1","","Russell, Samantha E.; Gosset, Cyrille; Agache, Xavier; Volkringer, Christophe; Henry, Natacha; Decadt, Roel; Van Deun, Rik; Visseaux, Marc; Loiseau, Thierry","A new series of trivalent lanthanide (Ce, Pr, Nd, Sm, Eu, Gd, Tb, Dy) coordination polymers with a 1,2-cyclohexanedicarboxylate ligand: synthesis, crystal structure, luminescence and catalytic properties","CrystEngComm","2016","18","20","3594","","10.1039/C6CE00101G","","x-ray","0.71073","MoKα","","0.0297","0.0208","","","0.0249","0.0259","","","","1.4","1.4","1.3","","","","has coordinates","185235","2020-10-21","18:00:00",""
"7224876","11.407","0.003","7.7149","0.0016","12.942","0.003","90","","99.966","0.01","90","","1121.8","0.5","293","","293","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C9 H13 Dy O7 -","- C9 H11 Dy O7 -","- C36 H44 Dy4 O28 -","4","1","","Russell, Samantha E.; Gosset, Cyrille; Agache, Xavier; Volkringer, Christophe; Henry, Natacha; Decadt, Roel; Van Deun, Rik; Visseaux, Marc; Loiseau, Thierry","A new series of trivalent lanthanide (Ce, Pr, Nd, Sm, Eu, Gd, Tb, Dy) coordination polymers with a 1,2-cyclohexanedicarboxylate ligand: synthesis, crystal structure, luminescence and catalytic properties","CrystEngComm","2016","18","20","3594","","10.1039/C6CE00101G","","x-ray","0.71073","MoKα","","0.0434","0.0305","","","0.0347","0.0364","","","","1.15","1.15","1.09","","","","has coordinates","185235","2020-10-21","18:00:00",""
"7224877","15.2389","0.0006","15.997","0.0007","17.4713","0.0007","64.428","0.004","82.624","0.003","68.486","0.004","3571.9","0.3","200.05","0.1","200.05","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C136 H148 Mn5 N10 O32 Si4 -","- C136 H148 Mn5 N10 O32 Si4 -","- C136 H148 Mn5 N10 O32 Si4 -","1","0.5","","Vlad, Angelica; Zaltariov, Mirela-Fernanda; Sova, Sergiu; Novitchi, Ghénadie; Train, Cyrille; Cazacu, Maria","Metal-Organic Frameworks Based on Tri- and Penta-nuclear Manganese(II) Secondary Building Units Self-assembled by a V-Shaped Silicon-containing Dicarboxylate","RSC Adv.","2016","","","","","10.1039/C6RA03969C","","","0.71073","MoKα","","0.1234","0.0792","","","0.1943","0.2331","","","","","","1.043","","","","has coordinates,has disorder","181981","2020-10-21","18:00:00",""
"7224878","26.55","0.0011","17.3564","0.0005","30.9789","0.0013","90","","116.328","0.005","90","","12794.7","1","173.05","0.1","173.05","0.1","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C116 H130 Mn3 N4 O34 Si4 -","- C116 H130 Mn3 N4 O34 Si4 -","- C464 H520 Mn12 N16 O136 Si16 -","4","0.5","","Vlad, Angelica; Zaltariov, Mirela-Fernanda; Sova, Sergiu; Novitchi, Ghénadie; Train, Cyrille; Cazacu, Maria","Metal-Organic Frameworks Based on Tri- and Penta-nuclear Manganese(II) Secondary Building Units Self-assembled by a V-Shaped Silicon-containing Dicarboxylate","RSC Adv.","2016","","","","","10.1039/C6RA03969C","","","0.71073","MoKα","","0.1058","0.0736","","","0.1799","0.1994","","","","","","1.034","","","","has coordinates,has disorder","181981","2020-10-21","18:00:00",""
"7224879","5.577","0.002","7.5481","0.0007","18.06","0.003","90","","90","","90","","760.2","0.3","295","2","295","2","","","480000","","","","","3","P 21 21 21","P 2ac 2ab","19","β-D-mannose","β-D-mannopyranose","","- C6 H12 O6 -","- C6 H12 O6 -","- C24 H48 O24 -","4","1","","Patyk, Ewa; Jenczak, Anna; Katrusiak, Andrzej","Giant strain geared to transformable H-bonded network in compressed β-d-mannose.","Physical chemistry chemical physics : PCCP","2016","18","16","11474","11479","10.1039/c6cp01286h","","","0.71073","MoKα","","0.0933","0.0744","","","0.1512","0.1591","","","","","","1.006","","","","has coordinates","182798","2020-10-21","18:00:00",""
"7224880","5.3889","0.001","7.4568","0.0008","17.8288","0.0019","90","","90","","90","","716.43","0.17","295","2","295","2","","","1600000","","","","","3","P 21 21 21","P 2ac 2ab","19","β-D-mannose","β-D-mannopyranose","","- C6 H12 O6 -","- C6 H12 O6 -","- C24 H48 O24 -","4","1","","Patyk, Ewa; Jenczak, Anna; Katrusiak, Andrzej","Giant strain geared to transformable H-bonded network in compressed β-d-mannose.","Physical chemistry chemical physics : PCCP","2016","18","16","11474","11479","10.1039/c6cp01286h","","","0.71073","MoKα","","0.0719","0.055","","","0.1264","0.1386","","","","","","1.134","","","","has coordinates","182798","2020-10-21","18:00:00",""
"7224881","5.375","0.018","7.436","0.004","17.849","0.008","90","","90","","90","","713","2","295","2","295","2","","","1900000","","","","","3","P 21 21 21","P 2ac 2ab","19","β-D-mannose","β-D-mannopyranose","","- C6 H12 O6 -","- C6 H12 O6 -","- C24 H48 O24 -","4","1","","Patyk, Ewa; Jenczak, Anna; Katrusiak, Andrzej","Giant strain geared to transformable H-bonded network in compressed β-d-mannose.","Physical chemistry chemical physics : PCCP","2016","18","16","11474","11479","10.1039/c6cp01286h","","","0.71073","MoKα","","0.1005","0.0737","","","0.1274","0.1403","","","","","","1.001","","","","has coordinates","182798","2020-10-21","18:00:00",""
"7224882","4.609","0.003","8.438","0.006","17.4","0.09","90","","90","","90","","677","4","295","2","295","2","","","2020000","","","","","3","P 21 21 21","P 2ac 2ab","19","β-D-mannose","β-D-mannopyranose","","- C6 H12 O6 -","- C6 H12 O6 -","- C24 H48 O24 -","4","1","","Patyk, Ewa; Jenczak, Anna; Katrusiak, Andrzej","Giant strain geared to transformable H-bonded network in compressed β-d-mannose.","Physical chemistry chemical physics : PCCP","2016","18","16","11474","11479","10.1039/c6cp01286h","","","0.71073","MoKα","","0.1108","0.0754","","","0.1102","0.1173","","","","","","0.942","","","","has coordinates","182798","2020-10-21","18:00:00",""
"7224883","4.62","0.003","8.422","0.005","17.29","0.03","90","","90","","90","","672.7","1.3","295","2","295","2","","","2100000","","","","","3","P 21 21 21","P 2ac 2ab","19","β-D-mannose","β-D-mannopyranose","","- C6 H12 O6 -","- C6 H12 O6 -","- C24 H48 O24 -","4","1","","Patyk, Ewa; Jenczak, Anna; Katrusiak, Andrzej","Giant strain geared to transformable H-bonded network in compressed β-d-mannose.","Physical chemistry chemical physics : PCCP","2016","18","16","11474","11479","10.1039/c6cp01286h","","","0.71073","MoKα","","0.0943","0.0614","","","0.1129","0.122","","","","","","1.009","","","","has coordinates","182798","2020-10-21","18:00:00",""
"7224884","4.58","0.03","8.401","0.008","17.2","0.05","90","","90","","90","","662","5","295","2","295","2","","","2350000","","","","","3","P 21 21 21","P 2ac 2ab","19","β-D-mannose","β-D-mannopyranose","","- C6 H12 O6 -","- C6 H12 O6 -","- C24 H48 O24 -","4","1","","Patyk, Ewa; Jenczak, Anna; Katrusiak, Andrzej","Giant strain geared to transformable H-bonded network in compressed β-d-mannose.","Physical chemistry chemical physics : PCCP","2016","18","16","11474","11479","10.1039/c6cp01286h","","","0.71073","MoKα","","0.1668","0.1163","","","0.2375","0.2857","","","","","","1.007","","","","has coordinates","182798","2020-10-21","18:00:00",""
"7224885","4.5744","0.0006","8.386","0.003","17.212","0.016","90","","90","","90","","660.3","0.7","295","2","295","2","","","2850000","","","","","3","P 21 21 21","P 2ac 2ab","19","β-D-mannose","β-D-mannopyranose","","- C6 H12 O6 -","- C6 H12 O6 -","- C24 H48 O24 -","4","1","","Patyk, Ewa; Jenczak, Anna; Katrusiak, Andrzej","Giant strain geared to transformable H-bonded network in compressed β-d-mannose.","Physical chemistry chemical physics : PCCP","2016","18","16","11474","11479","10.1039/c6cp01286h","","","0.56087","AgKα","","0.0975","0.0706","","","0.158","0.1697","","","","","","1.013","","","","has coordinates","182798","2020-10-21","18:00:00",""
"7224886","5.6684","0.0002","7.572","0.0002","18.1425","0.0005","90","","90","","90","","778.7","0.04","295","2","295","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","β-D-mannose","β-D-mannopyranose","","- C6 H12 O6 -","- C6 H12 O6 -","- C24 H48 O24 -","4","1","","Patyk, Ewa; Jenczak, Anna; Katrusiak, Andrzej","Giant strain geared to transformable H-bonded network in compressed β-d-mannose.","Physical chemistry chemical physics : PCCP","2016","18","16","11474","11479","10.1039/c6cp01286h","","","1.54184","CuKα","","0.0354","0.0319","","","0.076","0.0782","","","","","","1.055","","","","has coordinates","182798","2020-10-21","18:00:00",""
"7224887","5.6537","0.0002","7.5619","0.0002","18.1266","0.0005","90","","90","","90","","774.96","0.04","250","2","250","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","β-D-mannose","β-D-mannopyranose","","- C6 H12 O6 -","- C6 H12 O6 -","- C24 H48 O24 -","4","1","","Patyk, Ewa; Jenczak, Anna; Katrusiak, Andrzej","Giant strain geared to transformable H-bonded network in compressed β-d-mannose.","Physical chemistry chemical physics : PCCP","2016","18","16","11474","11479","10.1039/c6cp01286h","","","1.54184","CuKα","","0.033","0.0306","","","0.0771","0.079","","","","","","1.038","","","","has coordinates","182798","2020-10-21","18:00:00",""
"7224888","5.64474","0.00013","7.55135","0.00017","18.1054","0.0004","90","","90","","90","","771.75","0.03","200","2","200","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","β-D-mannose","β-D-mannopyranose","","- C6 H12 O6 -","- C6 H12 O6 -","- C24 H48 O24 -","4","1","","Patyk, Ewa; Jenczak, Anna; Katrusiak, Andrzej","Giant strain geared to transformable H-bonded network in compressed β-d-mannose.","Physical chemistry chemical physics : PCCP","2016","18","16","11474","11479","10.1039/c6cp01286h","","","1.54184","CuKα","","0.0293","0.0283","","","0.0716","0.0723","","","","","","1.085","","","","has coordinates","182798","2020-10-21","18:00:00",""
"7224889","5.62999","0.00016","7.5401","0.0002","18.0919","0.0005","90","","90","","90","","768.01","0.04","150","2","150","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","β-D-mannose","β-D-mannopyranose","","- C6 H12 O6 -","- C6 H12 O6 -","- C24 H48 O24 -","4","1","","Patyk, Ewa; Jenczak, Anna; Katrusiak, Andrzej","Giant strain geared to transformable H-bonded network in compressed β-d-mannose.","Physical chemistry chemical physics : PCCP","2016","18","16","11474","11479","10.1039/c6cp01286h","","","1.54184","CuKα","","0.0274","0.0266","","","0.0666","0.067","","","","","","1.055","","","","has coordinates","182798","2020-10-21","18:00:00",""
"7224890","14.6223","0.001","16.5304","0.0012","15.2077","0.0011","90","","98.781","0.001","90","","3632.8","0.4","120","2","120","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C13 H21 I2 Mn N3 O2 -","- C13 H21 I2 Mn N3 O2 -","- C104 H168 I16 Mn8 N24 O16 -","8","2","","Drahoš, Bohuslav; Herchel, Radovan; Trávníček, Zdeněk","Structural and magnetic properties of heptacoordinated MnIIcomplexes containing a 15-membered pyridine-based macrocycle and halido/pseudohalido axial coligands","RSC Adv.","2016","6","41","34674","","10.1039/C6RA03754B","","","0.71073","MoKα","","0.0653","0.0641","","","0.1746","0.1756","","","","","","1.093","","","","has coordinates","182010","2020-10-21","18:00:00",""
"7224891","9.8283","0.0006","12.8416","0.0007","13.4703","0.0009","90","","100.3","0.002","90","","1672.7","0.18","120","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C13 H21 Mn N9 O2 -","- C13 H21 Mn N9 O2 -","- C52 H84 Mn4 N36 O8 -","4","1","","Drahoš, Bohuslav; Herchel, Radovan; Trávníček, Zdeněk","Structural and magnetic properties of heptacoordinated MnIIcomplexes containing a 15-membered pyridine-based macrocycle and halido/pseudohalido axial coligands","RSC Adv.","2016","6","41","34674","","10.1039/C6RA03754B","","","0.71073","MoKα","","0.033","0.0258","","","0.0578","0.0608","","","","","","1.088","","","","has coordinates","182010","2020-10-21","18:00:00",""
"7224892","10.1382","0.0007","11.3567","0.0008","14.0782","0.001","103.348","0.002","110.85","0.002","101.57","0.002","1400.79","0.17","120","2","120","2","","","","","","","","6","P 1","P 1","1","","","","- C15 H21 Mn N5 O2 S2 -","- C15 H21 Mn N5 O2 S2 -","- C45 H63 Mn3 N15 O6 S6 -","3","3","","Drahoš, Bohuslav; Herchel, Radovan; Trávníček, Zdeněk","Structural and magnetic properties of heptacoordinated MnIIcomplexes containing a 15-membered pyridine-based macrocycle and halido/pseudohalido axial coligands","RSC Adv.","2016","6","41","34674","","10.1039/C6RA03754B","","","0.71073","MoKα","","0.0681","0.068","","","0.1756","0.1757","","","","","","1.114","","","","has coordinates","182010","2020-10-21","18:00:00",""
"7224893","5.5906","0.0006","18.9078","0.0019","21.3233","0.0017","90","","90","","90","","2254","0.4","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","Furan","2-(2-naphthoyl)-3-(4-methoxyphenyl)-6, 6-dimethyl-2,3,6,7-tetrahydrobenzofuran-4(5H)-one","","- C28 H26 O4 -","- C28 H26 O4 -","- C112 H104 O16 -","4","1","","Raghav, Neera; Jangra, Suman; Kumar, Ajay; Bhattacharyya, Shalmoli; Wadhwa, Deepak; Sindhu, Jayant","Cathepsin B, H and L inhibitors as cell proliferating agents: design, synthesis, computational and pharmacological studies of some novel 2-(2-naphthoyl)-6,6-dimethyl-3-aryl-2,3,6,7-tetrahydrobenzofuran-4(5H)-ones","RSC Adv.","2016","6","41","34588","","10.1039/C6RA06480A","","","0.71073","MoKα","","0.0882","0.0543","","","0.1137","0.129","","","","","","0.869","","","","has coordinates","182011","2020-10-21","18:00:00",""
"7224894","7.3256","0.0007","9.0006","0.0009","13.7874","0.0014","82.024","0.001","78.267","0.001","72.345","0.001","845.25","0.15","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H16 Co N4 O4 -","- C16 H16 Co N4 O4 -","- C32 H32 Co2 N8 O8 -","2","1","","Pariyar, Anand; Gopalakrishnan, Siddharth; Stansbery, Joe; Patel, Rajakumar; Liang, Xinhua; Gerasimchuk, Nikolay; Choudhury, Amitava","1-D Coordination Polymer Route to Catalytically Active Co@C Nanoparticles","RSC Adv.","2016","","","","","10.1039/C6RA04650A","","","0.71073","MoKα","","0.0509","0.0433","","","0.1075","0.1116","","","","","","1.07","","","","has coordinates","182012","2020-10-21","18:00:00",""
"7224895","7.4418","0.0005","10.0193","0.0009","12.2838","0.001","90.054","0.005","99.653","0.005","104","0.004","875.29","0.12","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H18 N2 O7 U -","- C16 H18 N2 O7 U -","- C32 H36 N4 O14 U2 -","2","1","","Thuéry, Pierre; Harrowfield, Jack","Anchoring flexible uranyl dicarboxylate chains through stacking interactions of ancillary ligands on chiral U(vi) centres","CrystEngComm","2016","18","21","3905","","10.1039/C6CE00603E","","","0.71073","MoKα","","0.0277","0.0217","","","0.0414","0.0424","","","","","","1.02","","","","has coordinates","185241","2020-10-21","18:00:00",""
"7224896","7.4929","0.0006","11.4014","0.0006","21.3247","0.0018","90","","90","","90","","1821.8","0.2","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C19 H18 N2 O6 U -","- C19 H18 N2 O6 U -","- C76 H72 N8 O24 U4 -","4","1","","Thuéry, Pierre; Harrowfield, Jack","Anchoring flexible uranyl dicarboxylate chains through stacking interactions of ancillary ligands on chiral U(vi) centres","CrystEngComm","2016","18","21","3905","","10.1039/C6CE00603E","","","0.71073","MoKα","","0.0326","0.0297","","","0.0845","0.0857","","","","","","1.086","","","","has coordinates","185241","2020-10-21","18:00:00",""
"7224897","6.8419","0.0003","14.9035","0.001","18.3664","0.0012","90","","97.677","0.004","90","","1856","0.19","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H20 N2 O6 U -","- C18 H20 N2 O6 U -","- C72 H80 N8 O24 U4 -","4","1","","Thuéry, Pierre; Harrowfield, Jack","Anchoring flexible uranyl dicarboxylate chains through stacking interactions of ancillary ligands on chiral U(vi) centres","CrystEngComm","2016","18","21","3905","","10.1039/C6CE00603E","","","0.71073","MoKα","","0.0377","0.0294","","","0.0709","0.0731","","","","","","1.128","","","","has coordinates","185241","2020-10-21","18:00:00",""
"7224898","8.9926","0.0005","10.1782","0.0006","12.334","0.0008","74.294","0.003","69.809","0.004","75.184","0.004","1003.39","0.11","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C21 H22 N2 O6 U -","- C21 H22 N2 O6 U -","- C42 H44 N4 O12 U2 -","2","1","","Thuéry, Pierre; Harrowfield, Jack","Anchoring flexible uranyl dicarboxylate chains through stacking interactions of ancillary ligands on chiral U(vi) centres","CrystEngComm","2016","18","21","3905","","10.1039/C6CE00603E","","","0.71073","MoKα","","0.0309","0.0243","","","0.0549","0.0563","","","","","","1.001","","","","has coordinates","185241","2020-10-21","18:00:00",""
"7224899","9.2082","0.0006","13.2399","0.0012","18.1132","0.0014","73.667","0.004","78.133","0.004","83.081","0.005","2069.3","0.3","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C21 H22 N2 O6 U -","- C21 H22 N2 O6 U -","- C84 H88 N8 O24 U4 -","4","2","","Thuéry, Pierre; Harrowfield, Jack","Anchoring flexible uranyl dicarboxylate chains through stacking interactions of ancillary ligands on chiral U(vi) centres","CrystEngComm","2016","18","21","3905","","10.1039/C6CE00603E","","","0.71073","MoKα","","0.0672","0.0418","","","0.0914","0.0982","","","","","","1.044","","","","has coordinates,has disorder","185241","2020-10-21","18:00:00",""
"7224900","9.1158","0.0004","19.5111","0.0011","19.6788","0.0008","103.432","0.004","92.911","0.003","94.315","0.004","3386.2","0.3","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C33 H32 N4 O11 U2 -","- C33 H30 N4 O11 U2 -","- C132 H120 N16 O44 U8 -","4","2","","Thuéry, Pierre; Harrowfield, Jack","Anchoring flexible uranyl dicarboxylate chains through stacking interactions of ancillary ligands on chiral U(vi) centres","CrystEngComm","2016","18","21","3905","","10.1039/C6CE00603E","","","0.71073","MoKα","","0.0705","0.0383","","","0.0583","0.0644","","","","","","0.936","","","","has coordinates","185241","2020-10-21","18:00:00",""
"7224901","7.7422","0.0004","16.7494","0.0007","18.1092","0.0008","90","","97.207","0.003","90","","2329.8","0.19","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C23 H30 N2 O6 U -","- C23 H30 N2 O6 U -","- C92 H120 N8 O24 U4 -","4","1","","Thuéry, Pierre; Harrowfield, Jack","Anchoring flexible uranyl dicarboxylate chains through stacking interactions of ancillary ligands on chiral U(vi) centres","CrystEngComm","2016","18","21","3905","","10.1039/C6CE00603E","","","0.71073","MoKα","","0.0429","0.0344","","","0.0914","0.0955","","","","","","1.038","","","","has coordinates,has disorder","185241","2020-10-21","18:00:00",""
"7224902","8.0731","0.0004","17.3445","0.0006","17.4005","0.0007","90","","92.994","0.003","90","","2433.16","0.18","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C25 H30 N2 O6 U -","- C25 H30 N2 O6 U -","- C100 H120 N8 O24 U4 -","4","1","","Thuéry, Pierre; Harrowfield, Jack","Anchoring flexible uranyl dicarboxylate chains through stacking interactions of ancillary ligands on chiral U(vi) centres","CrystEngComm","2016","18","21","3905","","10.1039/C6CE00603E","","","0.71073","MoKα","","0.0767","0.0628","","","0.1733","0.1822","","","","","","1.059","","","","has coordinates,has disorder","185241","2020-10-21","18:00:00",""
"7224903","11.786","0.002","11.786","","29.019","0.006","90","","90","","90","","4031","1.1","298","2","298","2","","","","","","","","6","P 4/m n c","-P 4 2n","128","","","","- C56 H78 Cl12 N28 Ni8 O6 -","- C56 H78 Cl12 N28 Ni8 O6 -","- C112 H156 Cl24 N56 Ni16 O12 -","2","0.125","","Wang, Zhi; Jagličić, Zvonko; Han, Lu-Lu; Zhuang, Gui-Lin; Luo, Geng-Geng; Zeng, Su-Yuan; Tung, Chen-Ho; Sun, Di","Octanuclear Ni(ii) cubes based on halogen-substituted pyrazolates: synthesis, structure, electrochemistry and magnetism","CrystEngComm","2016","18","19","3462","","10.1039/C6CE00528D","","","0.71073","MoKα","","0.0486","0.0354","","","0.0852","0.093","","","","","","1.034","","","","has coordinates","185292","2020-10-21","18:00:00",""
"7224904","21.043","0.006","22.205","0.007","17.844","0.005","90","","90","","90","","8338","4","173","2","173","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C48 H62 Br12 N26 Ni8 O6 -","- C48 H62 Br12 N26 Ni8 O6 -","- C192 H248 Br48 N104 Ni32 O24 -","4","0.5","","Wang, Zhi; Jagličić, Zvonko; Han, Lu-Lu; Zhuang, Gui-Lin; Luo, Geng-Geng; Zeng, Su-Yuan; Tung, Chen-Ho; Sun, Di","Octanuclear Ni(ii) cubes based on halogen-substituted pyrazolates: synthesis, structure, electrochemistry and magnetism","CrystEngComm","2016","18","19","3462","","10.1039/C6CE00528D","","","0.71073","MoKα","","0.173","0.0898","","","0.2218","0.2527","","","","","","1.017","","","","has coordinates","185292","2020-10-21","18:00:00",""
"7224905","11.998","0.007","26.923","0.016","19.114","0.009","90","","116.81","0.03","90","","5511","5","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C36 H30 I12 N24 Ni8 O6 -","- C36 H30 I12 N24 Ni8 O6 -","- C72 H60 I24 N48 Ni16 O12 -","2","0.5","","Wang, Zhi; Jagličić, Zvonko; Han, Lu-Lu; Zhuang, Gui-Lin; Luo, Geng-Geng; Zeng, Su-Yuan; Tung, Chen-Ho; Sun, Di","Octanuclear Ni(ii) cubes based on halogen-substituted pyrazolates: synthesis, structure, electrochemistry and magnetism","CrystEngComm","2016","18","19","3462","","10.1039/C6CE00528D","","","0.71","MoKα","","0.1724","0.0997","","","0.2155","0.2408","","","","","","0.71","","","","has coordinates","185292","2020-10-21","18:00:00",""
"7224906","10.2928","0.0013","20.805","0.003","21.558","0.003","90","","90","","90","","4616.5","1.1","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C27 H17 Eu N2 O8 -","- C27 H17 Eu N2 O8 -","- C216 H136 Eu8 N16 O64 -","8","1","","Zhang, Huijie; Fan, Ruiqing; Dong, Yuwei; Chen, Wei; Du, Xi; Wang, Ping; Yang, Yulin","Assembly of one-, two-, and three-dimensional Ln(iii) complexes constructed from a novel asymmetric tricarboxylic acid: synthesis, structure, photoluminescence and tunable white-light emission","CrystEngComm","2016","18","20","3711","","10.1039/C6CE00483K","","","0.71073","MoKα","","0.2005","0.0707","","","0.1571","0.2331","","","","","","1.043","","","","has coordinates","185233","2020-10-21","18:00:00",""
"7224907","12.6658","0.0006","15.8879","0.0007","22.143","0.001","89.449","0.004","93.013","0.004","107.919","0.004","4233.8","0.3","100.01","0.1","100.01","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C57 H77 Cl3 N34 O35 -","- C57 H77 Cl3 N34 O34.869 -","- C114 H154 Cl6 N68 O69.738 -","2","1","","Danylyuk, Oksana; Butkiewicz, Helena; Sashuk, Volodymyr","Host‒guest complexes of cucurbit[6]uril with the trypanocide drug diminazene and its degradation product 4-aminobenzamidine","CrystEngComm","2016","18","26","4905","","10.1039/C6CE00257A","","","1.54184","CuKα","","0.1208","0.1052","","","0.2891","0.3125","","","","","","1.192","","","","has coordinates,has disorder","185200","2020-10-21","18:00:00",""
"7224908","12.528","0.0014","15.3546","0.0012","17.2965","0.0016","107.352","0.008","100.18","0.009","95.791","0.008","3083.7","0.5","100","0.1","100","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C43 H70 Cl3 Mg N27 O27 -","- C43 H70 Cl3 Mg N27 O27 -","- C86 H140 Cl6 Mg2 N54 O54 -","2","1","","Danylyuk, Oksana; Butkiewicz, Helena; Sashuk, Volodymyr","Host‒guest complexes of cucurbit[6]uril with the trypanocide drug diminazene and its degradation product 4-aminobenzamidine","CrystEngComm","2016","18","26","4905","","10.1039/C6CE00257A","","","1.54184","CuKα","","0.1056","0.0805","","","0.2113","0.2382","","","","","","0.92","","","","has coordinates","185200","2020-10-21","18:00:00",""
"7224909","15.8539","0.0003","19.7194","0.0003","26.8892","0.0005","98.389","0.002","94.251","0.002","109.497","0.002","7771.3","0.3","100","0.1","100","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C86 H92 Ca2 Cl5.5 N54 O77 -","- C86 H92 Ca2 Cl5.5 N54 O76.99 -","- C172 H184 Ca4 Cl11 N108 O153.98 -","2","1","","Danylyuk, Oksana; Butkiewicz, Helena; Sashuk, Volodymyr","Host‒guest complexes of cucurbit[6]uril with the trypanocide drug diminazene and its degradation product 4-aminobenzamidine","CrystEngComm","2016","18","26","4905","","10.1039/C6CE00257A","","","1.54184","CuKα","","0.1141","0.1021","","","0.2879","0.301","","","","","","1.12","","","","has coordinates,has disorder","185200","2020-10-21","18:00:00",""
"7224910","15.6491","0.001","20.9747","0.0018","35.1781","0.001","100.397","0.005","99.817","0.004","103.379","0.006","10773.6","1.3","100","0.1","100","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C128 H140 Cl2 N76 O80 -","- C128 H140 Cl2 N76 O80.069 -","- C256 H280 Cl4 N152 O160.138 -","2","1","","Danylyuk, Oksana; Butkiewicz, Helena; Sashuk, Volodymyr","Host‒guest complexes of cucurbit[6]uril with the trypanocide drug diminazene and its degradation product 4-aminobenzamidine","CrystEngComm","2016","18","26","4905","","10.1039/C6CE00257A","","","1.54184","CuKα","","0.2609","0.1567","","","0.3754","0.4392","","","","","","1.114","","","","has coordinates,has disorder","185200","2020-10-21","18:00:00",""
"7224911","10.2219","0.0004","10.7838","0.0004","11.7729","0.0004","66.92","0.001","72.435","0.001","65.051","0.001","1067.88","0.07","200","2","200","2","","","","","","","","4","P -1","-P 1","2","","","","- C29 H21 N O2 -","- C29 H21 N O2 -","- C58 H42 N2 O4 -","2","1","","Ogunlaja, Adeniyi Sunday; Hosten, Eric; Betz, Richard; Tshentu, Zenixole","Selective removal of isoquinoline and quinoline from simulated fuel using 1,1'-binaphthyl-2,2'-diol (BINOL): Crystal structure and evaluation of the adduct electronic properties","RSC Adv.","2016","","","","","10.1039/C6RA03854A","","","0.71073","MoKα","","0.0477","0.0388","","","0.1052","0.1121","","","","","","1.042","","","","has coordinates","182096","2020-10-21","18:00:00",""
"7224912","9.8716","0.0005","10.7064","0.0005","12.3284","0.0006","94.98","0.002","111.858","0.002","114.677","0.002","1052.56","0.1","200","2","200","2","","","","","","","","4","P -1","-P 1","2","","","","- C29 H21 N O2 -","- C29 H21 N O2 -","- C58 H42 N2 O4 -","2","1","","Ogunlaja, Adeniyi Sunday; Hosten, Eric; Betz, Richard; Tshentu, Zenixole","Selective removal of isoquinoline and quinoline from simulated fuel using 1,1'-binaphthyl-2,2'-diol (BINOL): Crystal structure and evaluation of the adduct electronic properties","RSC Adv.","2016","","","","","10.1039/C6RA03854A","","","0.71073","MoKα","","0.0464","0.0393","","","0.1036","0.1095","","","","","","1.055","","","","has coordinates","182096","2020-10-21","18:00:00",""
"7224913","14.2635","0.0017","14.4664","0.0016","15.3841","0.0018","103.3","0.001","113.87","0.001","97.769","0.002","2730.5","0.5","113","","113","","","","","","","","","7","P -1","-P 1","2","","","","- C54 H46 Cl4 N2 Ni2 O2 S8 -","- C54 H46 Cl4 N2 Ni2 O2 S8 -","- C108 H92 Cl8 N4 Ni4 O4 S16 -","2","1","","Song, Li-Cheng; Lu, Yu; Meng, Cao; Yang, Xi-Yue","Reactions of dinuclear Ni2 complexes [Ni(RNPyS4)]2 (RNPyS4 = 2,6-bis(2-mercaptophenylthiomethyl-4-R-pyridine) with Fe(CO)3(BDA) (BDA = benzylidene acetone) leading to heterodinuclear NiFe and mononuclear Fe complexes related to the active sites of [NiFe]- and [Fe]-hydrogenases","RSC Adv.","2016","","","","","10.1039/C6RA07488J","","","0.71073","MoKα","","0.0257","0.0235","","","0.0629","0.0639","","","","","","1.048","","","","has coordinates","182097","2020-10-21","18:00:00",""
"7224914","13.086","0.003","13.33","0.003","13.731","0.003","90","","90","","90","","2395.2","0.9","113","","113","","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C22 H14 Cl Fe N Ni O3 S4 -","- C22 H14 Cl Fe N Ni O3 S4 -","- C88 H56 Cl4 Fe4 N4 Ni4 O12 S16 -","4","1","","Song, Li-Cheng; Lu, Yu; Meng, Cao; Yang, Xi-Yue","Reactions of dinuclear Ni2 complexes [Ni(RNPyS4)]2 (RNPyS4 = 2,6-bis(2-mercaptophenylthiomethyl-4-R-pyridine) with Fe(CO)3(BDA) (BDA = benzylidene acetone) leading to heterodinuclear NiFe and mononuclear Fe complexes related to the active sites of [NiFe]- and [Fe]-hydrogenases","RSC Adv.","2016","","","","","10.1039/C6RA07488J","","","0.71073","MoKα","","0.0597","0.0533","","","0.1117","0.1167","","","","","","1.028","","","","has coordinates","182097","2020-10-21","18:00:00",""
"7224915","13.4113","0.001","14.1978","0.001","28.753","0.002","90.107","0.002","93.721","0.002","100.053","0.002","5379","0.7","113","","113","","","","","","","","","7","P -1","-P 1","2","","","","- C27.5 H22 Cl Fe N O2 S4 -","- C27.5 H21.5 Cl Fe N O2 S4 -","- C220 H172 Cl8 Fe8 N8 O16 S32 -","8","4","","Song, Li-Cheng; Lu, Yu; Meng, Cao; Yang, Xi-Yue","Reactions of dinuclear Ni2 complexes [Ni(RNPyS4)]2 (RNPyS4 = 2,6-bis(2-mercaptophenylthiomethyl-4-R-pyridine) with Fe(CO)3(BDA) (BDA = benzylidene acetone) leading to heterodinuclear NiFe and mononuclear Fe complexes related to the active sites of [NiFe]- and [Fe]-hydrogenases","RSC Adv.","2016","","","","","10.1039/C6RA07488J","","","0.71073","MoKα","","0.0335","0.0265","","","0.0649","0.0686","","","","","","1.119","","","","has coordinates,has disorder","182097","2020-10-21","18:00:00",""
"7224916","18.56","0.002","11.0529","0.0014","20.512","0.002","90","","92.173","0.003","90","","4204.8","0.8","113","","113","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C21 H17 Fe N O S5 -","- C21 H17 Fe N O S5 -","- C168 H136 Fe8 N8 O8 S40 -","8","2","","Song, Li-Cheng; Lu, Yu; Meng, Cao; Yang, Xi-Yue","Reactions of dinuclear Ni2 complexes [Ni(RNPyS4)]2 (RNPyS4 = 2,6-bis(2-mercaptophenylthiomethyl-4-R-pyridine) with Fe(CO)3(BDA) (BDA = benzylidene acetone) leading to heterodinuclear NiFe and mononuclear Fe complexes related to the active sites of [NiFe]- and [Fe]-hydrogenases","RSC Adv.","2016","","","","","10.1039/C6RA07488J","","","0.71073","MoKα","","0.0485","0.0385","","","0.0893","0.0929","","","","","","1.123","","","","has coordinates,has disorder","182097","2020-10-21","18:00:00",""
"7224917","9.8027","0.0004","12.2995","0.0004","17.4058","0.0006","99.92","0.001","94.72","0.001","109.633","0.001","1924.68","0.12","194","2","194","2","","","","","","","","5","P -1","-P 1","2","","","","- C38 H50 N6 Si2 Ti -","- C38 H50 N6 Si2 Ti -","- C76 H100 N12 Si4 Ti2 -","2","1","","Li, Wei; Su, Feng; Yuan, Shi-Fang; Duan, Xin-E; Bai, Shengdi; Liu, Diansheng","Group IV Compounds Bearing a Novel Tridentate N-donor Ligand: Synthesis, Structures and Ethylene Polymerization","RSC Adv.","2016","","","","","10.1039/C6RA01365A","","","0.71073","MoKα","","0.0475","0.0379","","","0.098","0.1054","","","","","","1.043","","","","has coordinates","182098","2020-10-21","18:00:00",""
"7224918","10.5821","0.0004","17.9611","0.0008","20.3816","0.0009","90","","95.55","0.001","90","","3855.7","0.3","194","2","194","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C38 H50 N6 Si2 Zr -","- C38 H50 N6 Si2 Zr -","- C152 H200 N24 Si8 Zr4 -","4","1","","Li, Wei; Su, Feng; Yuan, Shi-Fang; Duan, Xin-E; Bai, Shengdi; Liu, Diansheng","Group IV Compounds Bearing a Novel Tridentate N-donor Ligand: Synthesis, Structures and Ethylene Polymerization","RSC Adv.","2016","","","","","10.1039/C6RA01365A","","","0.71073","MoKα","","0.0679","0.0618","","","0.1384","0.1442","","","","","","1.012","","","","has coordinates","182098","2020-10-21","18:00:00",""
"7224919","10.5582","0.0005","17.9443","0.0008","20.4584","0.0009","90","","95.151","0.001","90","","3860.4","0.3","200","2","200","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C38 H52 Hf N6 Si2 -","- C38 H52 Hf N6 Si2 -","- C152 H208 Hf4 N24 Si8 -","4","1","","Li, Wei; Su, Feng; Yuan, Shi-Fang; Duan, Xin-E; Bai, Shengdi; Liu, Diansheng","Group IV Compounds Bearing a Novel Tridentate N-donor Ligand: Synthesis, Structures and Ethylene Polymerization","RSC Adv.","2016","","","","","10.1039/C6RA01365A","","","0.71073","MoKα","","0.0345","0.0303","","","0.1162","0.1219","","","","","","1.024","","","","has coordinates","182098","2020-10-21","18:00:00",""
"7224920","12.213","0.0005","13.3811","0.0005","16.3014","0.0007","84.48","0.001","72.53","0.001","83.835","0.001","2520.7","0.18","200","2","200","2","","","","","","","","6","P -1","-P 1","2","","","","- C46 H69 Li4 N6 O2 Si2 -","- C2.78788 H3.27273 Li0.242424 N0.363636 O0.121212 Si0.121212 -","- C92 H108 Li8 N12 O4 Si4 -","33","16.5","","Li, Wei; Su, Feng; Yuan, Shi-Fang; Duan, Xin-E; Bai, Shengdi; Liu, Diansheng","Group IV Compounds Bearing a Novel Tridentate N-donor Ligand: Synthesis, Structures and Ethylene Polymerization","RSC Adv.","2016","","","","","10.1039/C6RA01365A","","","0.71073","MoKα","","0.1105","0.083","","","0.1857","0.1895","","","","","","4.002","","","","has coordinates","182098","2020-10-21","18:00:00",""
"7224921","10.6726","0.0005","11.5721","0.0008","17.6589","0.0009","83.597","0.005","78.712","0.004","63.038","0.006","1905.6","0.2","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C42 H40 Cl2 N2 O3 P2 Ru -","- C42 H40 Cl2 N2 O3 P2 Ru -","- C84 H80 Cl4 N4 O6 P4 Ru2 -","2","1","","Francos, Javier; Menendez-Rodriguez, Lucia; Tomás-Mendivil, Eder; Crochet, Pascale; Cadierno, Victorio","Synthesis and catalytic applications of ruthenium(II)-phosphino-oxime complexes","RSC Adv.","2016","","","","","10.1039/C6RA07015A","","","1.54184","CuKα","","0.0445","0.0373","","","0.0923","0.098","","","","","","1.027","","","","has coordinates","182099","2020-10-21","18:00:00",""
"7224922","23.22","0.001","24.47","0.02","32.46","0.001","90","","90","","90","","18444","15","100","2","100","2","","","","","","","","5","P c a n","-P 2n 2c","60","","","","- C89.9 H138.6 F6.6 N2 O9.2 -","- C89.9 H138.6 F6.6 N2 O9.2 -","- C719.2 H1108.8 F52.8 N16 O73.6 -","8","1","","Brancatelli, Giovanna; Gattuso, Giuseppe; Geremia, Silvano; Manganaro, Nadia; Notti, Anna; Pappalardo, Sebastiano; Parisi, Melchiorre F.; Pisagatti, Ilenia","Encapsulation of biogenic polyamines by carboxylcalix[5]arenes: when solid-state design beats recognition in solution","CrystEngComm","2016","18","26","5012","","10.1039/C6CE00468G","","","0.7","","","0.1831","0.1298","","","0.3666","0.4113","","","","","","1.437","","","","has coordinates,has disorder","185196","2020-10-21","18:00:00",""
"7224923","23.45","0.01","23.02","0.01","32.88","0.02","90","","90","","90","","17749","15","100","2","100","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C86 H133 N2 O7 -","- C86 H133 N2 O7 -","- C688 H1064 N16 O56 -","8","1","","Brancatelli, Giovanna; Gattuso, Giuseppe; Geremia, Silvano; Manganaro, Nadia; Notti, Anna; Pappalardo, Sebastiano; Parisi, Melchiorre F.; Pisagatti, Ilenia","Encapsulation of biogenic polyamines by carboxylcalix[5]arenes: when solid-state design beats recognition in solution","CrystEngComm","2016","18","26","5012","","10.1039/C6CE00468G","","","0.6525","","","0.1338","0.1128","","","0.3043","0.3384","","","","","","1.063","","","","has coordinates,has disorder","185196","2020-10-21","18:00:00",""
"7224924","12.5712","0.0012","10.2622","0.0009","18.6905","0.0018","90","","101.379","0.003","90","","2363.8","0.4","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","bis(quinolinium) tetrabromocadmate(II) monohydrate","bis(quinolinium) tetrabromocadmate(II) monohydrate","","- C18 H20 Br4 Cd N2 O2 -","- C18 H20 Br4 Cd N2 O2 -","- C72 H80 Br16 Cd4 N8 O8 -","4","0.5","","Slabbert, C.; Rademeyer, M.","Structures and trends of neutral MXxsolvent4−xtetrahedra and anionic [MX4]2−tetrahalometallates of zinc(ii), cadmium(ii) and mercury(ii) with benzopyridine- and benzopyrazine-type N-donor ligands or cations","CrystEngComm","2016","18","24","4555","","10.1039/C6CE00568C","","","0.71073","MoKα","","0.0692","0.0374","","","0.072","0.0806","","","","","","1.002","","","","has coordinates","185224","2020-10-21","18:00:00",""
"7224925","16.448","0.002","13.1972","0.0014","12.5022","0.0014","90","","106.338","0.004","90","","2604.2","0.5","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","bis(phenazinium) tetrachloromercurate(ii) dihydrate","bis(phenazinium) tetrachloromercury(ii) dihydrate","","- C24 H22 Cl4 Hg N4 O2 -","- C24 H22 Cl4 Hg N4 O2 -","- C96 H88 Cl16 Hg4 N16 O8 -","4","1","","Slabbert, C.; Rademeyer, M.","Structures and trends of neutral MXxsolvent4−xtetrahedra and anionic [MX4]2−tetrahalometallates of zinc(ii), cadmium(ii) and mercury(ii) with benzopyridine- and benzopyrazine-type N-donor ligands or cations","CrystEngComm","2016","18","24","4555","","10.1039/C6CE00568C","","","0.71073","MoKα","","0.099","0.0447","","","0.0586","0.0685","","","","","","1.002","","","","has coordinates","185224","2020-10-21","18:00:00",""
"7224926","13.155","0.013","10.375","0.011","18.777","0.017","90","","93.87","0.03","90","","2557","4","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","bis(acridinium) tetrachloro-zinc(II)","bis(acridinium) tetrachloro-zinc(II)","","- C26 H20 Cl4 N2 Zn -","- C26 H20 Cl4 N2 Zn -","- C104 H80 Cl16 N8 Zn4 -","4","0.5","","Slabbert, C.; Rademeyer, M.","Structures and trends of neutral MXxsolvent4−xtetrahedra and anionic [MX4]2−tetrahalometallates of zinc(ii), cadmium(ii) and mercury(ii) with benzopyridine- and benzopyrazine-type N-donor ligands or cations","CrystEngComm","2016","18","24","4555","","10.1039/C6CE00568C","","","0.71073","MoKα","","0.2053","0.1423","","","0.2463","0.2719","","","","","","1.185","","","","has coordinates","185224","2020-10-21","18:00:00",""
"7224927","10.788","0.002","20.604","0.005","15.212","0.003","90","","96.743","0.003","90","","3357.9","1.2","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","tris(acridine) diaqua-dibromo-zinc(II)","tris(acridine) diaqua-dibromo-zinc(II)","","- C39 H31 Br2 N3 O2 Zn -","- C39 H31 Br2 N3 O2 Zn -","- C156 H124 Br8 N12 O8 Zn4 -","4","1","","Slabbert, C.; Rademeyer, M.","Structures and trends of neutral MXxsolvent4−xtetrahedra and anionic [MX4]2−tetrahalometallates of zinc(ii), cadmium(ii) and mercury(ii) with benzopyridine- and benzopyrazine-type N-donor ligands or cations","CrystEngComm","2016","18","24","4555","","10.1039/C6CE00568C","","","0.71073","MoKα","","0.0564","0.0391","","","0.0954","0.0996","","","","","","0.993","","","","has coordinates","185224","2020-10-21","18:00:00",""
"7224928","13.1044","0.0013","10.2306","0.0009","19.0699","0.0019","90","","92.513","0.003","90","","2554.2","0.4","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","bis(acridinium) tetrabromo-zinc (II)","bis(acridinium) tetrabromo-zinc (II)","","- C26 H20 Br4 N2 Zn -","- C26 H20 Br4 N2 Zn -","- C104 H80 Br16 N8 Zn4 -","4","0.5","","Slabbert, C.; Rademeyer, M.","Structures and trends of neutral MXxsolvent4−xtetrahedra and anionic [MX4]2−tetrahalometallates of zinc(ii), cadmium(ii) and mercury(ii) with benzopyridine- and benzopyrazine-type N-donor ligands or cations","CrystEngComm","2016","18","24","4555","","10.1039/C6CE00568C","","","0.71073","MoKα","","0.0986","0.0885","","","0.2868","0.2974","","","","","","1.218","","","","has coordinates","185224","2020-10-21","18:00:00",""
"7224929","16.5361","0.0014","13.2372","0.0011","12.7563","0.0011","90","","106.25","0.003","90","","2680.7","0.4","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","bis(phenazinium) tetrabromomercurate(II) dihydrate","bis(phenazinium) tetrabromomercurate(II) dihydrate","","- C24 H22 Br4 Hg N4 O2 -","- C24 H22 Br4 Hg N4 O2 -","- C96 H88 Br16 Hg4 N16 O8 -","4","1","","Slabbert, C.; Rademeyer, M.","Structures and trends of neutral MXxsolvent4−xtetrahedra and anionic [MX4]2−tetrahalometallates of zinc(ii), cadmium(ii) and mercury(ii) with benzopyridine- and benzopyrazine-type N-donor ligands or cations","CrystEngComm","2016","18","24","4555","","10.1039/C6CE00568C","","","0.71073","MoKα","","0.1426","0.1115","","","0.18","0.1901","","","","","","1.175","","","","has coordinates","185224","2020-10-21","18:00:00",""
"7224930","6.9401","0.0001","16.5048","0.0003","20.9602","0.0004","90","","91.82","0.03","90","","2399.67","0.08","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","bis(phenazine) diaqua-dichloro-zinc(II) monohydrate","bis(phenazine) diaqua-dichloro-zinc(II) monohydrate","","- C24 H22 Cl2 N4 O3 Zn -","- C24 H22 Cl2 N4 O3 Zn -","- C96 H88 Cl8 N16 O12 Zn4 -","4","1","","Slabbert, C.; Rademeyer, M.","Structures and trends of neutral MXxsolvent4−xtetrahedra and anionic [MX4]2−tetrahalometallates of zinc(ii), cadmium(ii) and mercury(ii) with benzopyridine- and benzopyrazine-type N-donor ligands or cations","CrystEngComm","2016","18","24","4555","","10.1039/C6CE00568C","","","0.71073","MoKα","","0.1208","0.1013","","","0.3008","0.3213","","","","","","1.141","","","","has coordinates","185224","2020-10-21","18:00:00",""
"7224931","16.2283","0.0014","12.5193","0.0011","17.939","0.002","90","","115.769","0.002","90","","3282.2","0.5","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","phenazindiium phenazine tetrachloro-zinc(II)","phenazindiium phenazine tetrachloro-zinc(II)","","- C36 H28 Cl4 N6 Zn -","- C36 H28 Cl4 N6 Zn -","- C144 H112 Cl16 N24 Zn4 -","4","0.5","","Slabbert, C.; Rademeyer, M.","Structures and trends of neutral MXxsolvent4−xtetrahedra and anionic [MX4]2−tetrahalometallates of zinc(ii), cadmium(ii) and mercury(ii) with benzopyridine- and benzopyrazine-type N-donor ligands or cations","CrystEngComm","2016","18","24","4555","","10.1039/C6CE00568C","","","0.71073","MoKα","","0.0689","0.0567","","","0.1321","0.1394","","","","","","1.115","","","","has coordinates","185224","2020-10-21","18:00:00",""
"7224932","9.6262","0.0004","10.2001","0.0005","14.7243","0.0007","97.375","0.001","93.472","0.001","113.214","0.001","1307.87","0.11","293","2","293","2","","","","","","","","5","P -1","-P 1","2","bis(acridinium) tetrabromocadmate(II)","bis(acridinium) tetrabromocadmate(II)","","- C26 H20 Br4 Cd N2 -","- C26 H20 Br4 Cd N2 -","- C52 H40 Br8 Cd2 N4 -","2","1","","Slabbert, C.; Rademeyer, M.","Structures and trends of neutral MXxsolvent4−xtetrahedra and anionic [MX4]2−tetrahalometallates of zinc(ii), cadmium(ii) and mercury(ii) with benzopyridine- and benzopyrazine-type N-donor ligands or cations","CrystEngComm","2016","18","24","4555","","10.1039/C6CE00568C","","","0.71073","MoKα","","0.0435","0.0293","","","0.0617","0.0667","","","","","","1.031","","","","has coordinates","185224","2020-10-21","18:00:00",""
"7224933","12.8432","0.0016","10.2106","0.0012","18.821","0.002","90","","92.326","0.005","90","","2466.1","0.5","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","bis(acridinium) tetrachlorocadmate (II)","bis(acridinium) tetrachlorocadmate (II)","","- C26 H20 Cd Cl4 N2 -","- C26 H20 Cd Cl4 N2 -","- C104 H80 Cd4 Cl16 N8 -","4","0.5","","Slabbert, C.; Rademeyer, M.","Structures and trends of neutral MXxsolvent4−xtetrahedra and anionic [MX4]2−tetrahalometallates of zinc(ii), cadmium(ii) and mercury(ii) with benzopyridine- and benzopyrazine-type N-donor ligands or cations","CrystEngComm","2016","18","24","4555","","10.1039/C6CE00568C","","","0.71073","MoKα","","0.0781","0.0765","","","0.2109","0.2121","","","","","","1.212","","","","has coordinates","185224","2020-10-21","18:00:00",""
"7224934","12.0377","0.0009","9.9002","0.0007","18.3254","0.0013","90","","100.72","0.002","90","","2145.8","0.3","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","bis(quinolinium) tetracholoromercurate(II) monohydrate","bis(quinolinium) tetracholoromercurate(II) monohydrate","","- C18 H20 Cl4 Hg N2 O2 -","- C18 H20 Cl4 Hg N2 O2 -","- C72 H80 Cl16 Hg4 N8 O8 -","4","0.5","","Slabbert, C.; Rademeyer, M.","Structures and trends of neutral MXxsolvent4−xtetrahedra and anionic [MX4]2−tetrahalometallates of zinc(ii), cadmium(ii) and mercury(ii) with benzopyridine- and benzopyrazine-type N-donor ligands or cations","CrystEngComm","2016","18","24","4555","","10.1039/C6CE00568C","","","0.71073","MoKα","","0.0127","0.0119","","","0.0292","0.0295","","","","","","1.094","","","","has coordinates","185224","2020-10-21","18:00:00",""
"7224935","11.4956","0.0003","21.8349","0.0007","15.5772","0.0005","90","","93.772","0.001","90","","3901.5","0.2","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","tris(acridine) aqua-diiodo-O-ipropanol-zinc(II)","tris(acridine) aqua-diiodo-O-ipropanol-zinc(II)","","- C42 H37 I2 N3 O2 Zn -","- C42 H37 I2 N3 O2 Zn -","- C168 H148 I8 N12 O8 Zn4 -","4","1","","Slabbert, C.; Rademeyer, M.","Structures and trends of neutral MXxsolvent4−xtetrahedra and anionic [MX4]2−tetrahalometallates of zinc(ii), cadmium(ii) and mercury(ii) with benzopyridine- and benzopyrazine-type N-donor ligands or cations","CrystEngComm","2016","18","24","4555","","10.1039/C6CE00568C","","","0.71073","MoKα","","0.0548","0.0364","","","0.0847","0.0951","","","","","","1.023","","","","has coordinates","185224","2020-10-21","18:00:00",""
"7224936","7.7519","0.0003","10.0771","0.0004","18.7817","0.0007","93.974","0.001","99.551","0.001","104.544","0.001","1390.97","0.09","293","2","293","2","","","","","","","","6","P -1","-P 1","2","phenazinium bis(phenazine) aqua-tribromo-zinc(II) monohydrate ethanol solvate","phenazinium bis(phenazine) aqua-tribromo-zinc(II) monohydrate ethanol solvate","","- C26 H27 Br3 N4 O3 Zn -","- C26 H27 Br3 N4 O3 Zn -","- C52 H54 Br6 N8 O6 Zn2 -","2","1","","Slabbert, C.; Rademeyer, M.","Structures and trends of neutral MXxsolvent4−xtetrahedra and anionic [MX4]2−tetrahalometallates of zinc(ii), cadmium(ii) and mercury(ii) with benzopyridine- and benzopyrazine-type N-donor ligands or cations","CrystEngComm","2016","18","24","4555","","10.1039/C6CE00568C","","","0.71073","MoKα","","0.0258","0.0237","","","0.0624","0.0634","","","","","","1.05","","","","has coordinates","185224","2020-10-21","18:00:00",""
"7224937","16.693","0.0015","13.4439","0.0012","12.7863","0.0011","90","","106.754","0.002","90","","2747.7","0.4","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","bis(phenazinium) tetrabromocadmate(II) dihydrate","bis(phenazinium) tetrabromocadmate(II) dihydrate","","- C24 H21 Br4 Cd N4 O2 -","- C24 H21 Br4 Cd N4 O2 -","- C96 H84 Br16 Cd4 N16 O8 -","4","1","","Slabbert, C.; Rademeyer, M.","Structures and trends of neutral MXxsolvent4−xtetrahedra and anionic [MX4]2−tetrahalometallates of zinc(ii), cadmium(ii) and mercury(ii) with benzopyridine- and benzopyrazine-type N-donor ligands or cations","CrystEngComm","2016","18","24","4555","","10.1039/C6CE00568C","","","0.71073","MoKα","","0.1288","0.0755","","","0.1331","0.1569","","","","","","1.126","","","","has coordinates","185224","2020-10-21","18:00:00",""
"7224938","11.2134","0.0005","21.5564","0.0011","15.1841","0.0008","90","","92.675","0.002","90","","3666.3","0.3","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","tris(acridine) aqua-O-etanol-diiodo-zinc(II)","tris(acridine) aqua-O-etanol-diiodo-zinc(II)","","- C41 H35 I2 N3 O2 Zn -","- C41 H35 I2 N3 O2 Zn -","- C164 H140 I8 N12 O8 Zn4 -","4","1","","Slabbert, C.; Rademeyer, M.","Structures and trends of neutral MXxsolvent4−xtetrahedra and anionic [MX4]2−tetrahalometallates of zinc(ii), cadmium(ii) and mercury(ii) with benzopyridine- and benzopyrazine-type N-donor ligands or cations","CrystEngComm","2016","18","24","4555","","10.1039/C6CE00568C","","","0.71073","MoKα","","0.0231","0.0211","","","0.0591","0.0617","","","","","","0.824","","","","has coordinates","185224","2020-10-21","18:00:00",""
"7224939","6.917","0.0007","16.4068","0.0015","21.562","0.002","90","","92.213","0.002","90","","2445.2","0.4","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","bis(phenazine) diaqua-dibromo-zinc(II) monohydrate","bis(phenazine) diaqua-dibromo-zinc(II) monohydrate","","- C24 H22 Br2 N4 O3 Zn -","- C24 H22 Br2 N4 O3 Zn -","- C96 H88 Br8 N16 O12 Zn4 -","4","1","","Slabbert, C.; Rademeyer, M.","Structures and trends of neutral MXxsolvent4−xtetrahedra and anionic [MX4]2−tetrahalometallates of zinc(ii), cadmium(ii) and mercury(ii) with benzopyridine- and benzopyrazine-type N-donor ligands or cations","CrystEngComm","2016","18","24","4555","","10.1039/C6CE00568C","","","0.71073","MoKα","","0.0551","0.0473","","","0.1189","0.1246","","","","","","1.065","","","","has coordinates","185224","2020-10-21","18:00:00",""
"7224940","12.0283","0.0013","8.2692","0.0009","14.3216","0.0015","90","","102.017","0.002","90","","1393.3","0.3","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","2-aminocyclopent-1-enecarbothioic dithioperoxyanhydride","","- C12 H16 N2 S4 -","- C12 H16 N2 S4 -","- C48 H64 N8 S16 -","4","1","","Samanta, Suvendu; Ray, Shounak; Ghosh, Abhisek Brata; Biswas, Papu","3, 6-Di(pyridin-2-yl)-1,2,4,5-tetrazine (pytz) mediated metal-free mild oxidation of thiols to disulfides in aqueous medium","RSC Adv.","2016","","","","","10.1039/C6RA01509C","","","0.71073","MoKα","","0.0355","0.0319","","","0.089","0.1007","","","","","","1.118","","","","has coordinates","182140","2020-10-21","18:00:00",""
"7224941","8.1982","0.0006","8.2816","0.0006","8.8622","0.0006","102.04","0.002","111.955","0.001","90.162","0.002","543.61","0.07","120","2","120","2","","","","","","","","3","P -1","-P 1","2","","3, 6-di(pyridin-2-yl)-1,4-dihydro-1,2,4,5-tetrazine","","- C12 H10 N6 -","- C12 H10 N6 -","- C24 H20 N12 -","2","1","","Samanta, Suvendu; Ray, Shounak; Ghosh, Abhisek Brata; Biswas, Papu","3, 6-Di(pyridin-2-yl)-1,2,4,5-tetrazine (pytz) mediated metal-free mild oxidation of thiols to disulfides in aqueous medium","RSC Adv.","2016","","","","","10.1039/C6RA01509C","","","0.71073","MoKα","","0.0342","0.0327","","","0.0931","0.0945","","","","","","1.03","","","","has coordinates","182140","2020-10-21","18:00:00",""
"7224942","12.61","0.003","7.764","0.0016","28.134","0.006","90","","104.02","0.03","90","","2672.4","1.1","295","2","295","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","5-Methyl-7-Methoxyflavone","Methoxyflavone","","- C17 H14 O3 -","- C17 H14 O3 -","- C136 H112 O24 -","8","2","","Gong, Ningbo; Hu, Kun; Jin, Guimin; Du, Guanhua; Lv, Yang","Concomitant polymorphs of Methoxyflavone (5-Methyl-7-Methoxyflavone)","RSC Adv.","2016","","","","","10.1039/C6RA05995C","","","1.54187","CuKα","","0.0606","0.052","","","0.1446","0.1574","","","","","","1.071","","","","has coordinates","182141","2020-10-21","18:00:00",""
"7224943","7.8301","0.0004","9.9382","0.0006","18.0845","0.0011","76.797","0.009","83.778","0.008","77.976","0.006","1337.29","0.14","293","2","293","2","","","","","","","","6","P -1","-P 1","2","(Z)-6-Amino-3-(2-bromobenzylidene)-10-(2-bromophenyl)-4-oxo-8-(p-tolyl)-2-thiaspiro[4.5]deca-6,8-diene-7-carbonitrile","(Z)-6-Amino-3-(2-bromobenzylidene)-10-(2-bromophenyl)-4-oxo-8-(p-tolyl)-2-thiaspiro[4.5]deca-6,8-diene-7-carbonitrile","","- C30 H22 Br2 N2 O S -","- C30 H22 Br2 N2 O S -","- C60 H44 Br4 N4 O2 S2 -","2","1","","Anusha Rani, Mani; Vivek Kumar, Sundaravel; Roja, Somi; Almansour, Abdulrahman Ibrahim; Kumar, Raju; Athimoolam, S.; Raju, Ranjith Kumar","Synthesis of highly functionalized 2-thiaspiro[4.5]deca-6,8-dienes via atom efficient tandem Michael addition/Thorpe-Ziegler cyclization","RSC Adv.","2016","","","","","10.1039/C6RA05572A","","","0.71073","MoKα","","0.0379","0.0288","","","0.0708","0.0736","","","","","","1.038","","","","has coordinates","182172","2020-10-21","18:00:00",""
"7224944","16.4496","0.0006","16.5567","0.0007","17.7879","0.0007","90","","90","","90","","4844.6","0.3","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C42 H66 N10 O10 -","- C42 H66 N10 O10 -","- C168 H264 N40 O40 -","4","1","","Solà, Jordi; Bolte, Michael; Alfonso, Ignacio","Metal-driven assembly of peptidic foldamers: formation of molecular tapes","CrystEngComm","2016","18","21","3793","","10.1039/C6CE00601A","","","0.71073","MoKα","","0.0562","0.0469","","","0.1045","0.1085","","","","","","1.052","","","","has coordinates","211177","2020-10-21","18:00:00",""
"7224945","16.7243","0.001","16.7433","0.0009","17.6543","0.001","90","","90","","90","","4943.6","0.5","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C44 H72 N10 O11 -","- C44 H72 N10 O11 -","- C176 H288 N40 O44 -","4","1","","Solà, Jordi; Bolte, Michael; Alfonso, Ignacio","Metal-driven assembly of peptidic foldamers: formation of molecular tapes","CrystEngComm","2016","18","21","3793","","10.1039/C6CE00601A","","","0.7107","MoKα","","0.114","0.0841","","","0.2063","0.2243","","","","","","1.094","","","","has coordinates","185247","2020-10-21","18:00:00",""
"7224946","7.4337","0.0001","9.2677","0.0001","17.007","0.0003","74.3","0.001","79.907","0.001","68.455","0.001","1045.37","0.03","296","2","296.15","","","","","","","","","4","P 1","P 1","1","","Estradiol","","- C24 H30 N2 O3 -","- C24 H30 N2 O3 -","- C48 H60 N4 O6 -","2","2","","Wang, Jian-Rong; Wang, Xiaojuan; Yang, Yong; Chen, Xiaoyan; Mei, Xuefeng","Solid-state characterization of 17β-estradiol co-crystals presenting improved dissolution and bioavailability","CrystEngComm","2016","18","19","3498","","10.1039/C6CE00433D","","","0.71073","MoKα","","0.0419","0.0364","","","0.0966","0.1011","","","","","","1.041","","","","has coordinates","194155","2020-10-21","18:00:00",""
"7224947","7.3931","0.0007","9.2277","0.0008","14.7018","0.0013","98.038","0.006","97.853","0.006","110.152","0.005","913.71","0.15","296","2","296.15","","","","","","","","","4","P 1","P 1","1","","Estradiol","","- C20 H31 N O3 -","- C20 H31 N O3 -","- C40 H62 N2 O6 -","2","2","","Wang, Jian-Rong; Wang, Xiaojuan; Yang, Yong; Chen, Xiaoyan; Mei, Xuefeng","Solid-state characterization of 17β-estradiol co-crystals presenting improved dissolution and bioavailability","CrystEngComm","2016","18","19","3498","","10.1039/C6CE00433D","","","0.71073","MoKα","","0.0896","0.0469","","","0.0883","0.1041","","","","","","1.004","","","","has coordinates","194155","2020-10-21","18:00:00",""
"7224948","7.0576","0.0006","10.7369","0.0012","24.894","0.002","90","","91.844","0.003","90","","1885.4","0.3","103","2","103","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C21 H13 F5 N4 O S -","- C21 H13 F5 N4 O S -","- C84 H52 F20 N16 O4 S4 -","4","1","","Gu, Pei-Yang; Wang, Chengyuan; Nie, Lina; Long, Guankui; Zhang, Qichun","A novel heteroacene 2-(perfluorophenyl)-1H-imidazo[4,5-b]phenazine for selective sensing of picric acid","RSC Adv.","2016","6","44","37929","","10.1039/C6RA08547D","","","0.71073","MoKα","","0.0584","0.0443","","","0.1082","0.1158","","","","","","1.04","","","","has coordinates","182202","2020-10-21","18:00:00",""
"7224949","9.6372","0.0004","15.6851","0.0007","9.8491","0.0004","90","","100.796","0.0011","90","","1462.44","0.11","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","(S)-tert-butyl 3-(2-(4-chlorophenyl)-2-oxoethyl)-2-oxo-3-(10-oxo-9,10-dihydroanthr acen-9-yl)indoline-1-carboxylate","","- C35 H28 Cl N O5 -","- C35 H28 Cl N O5 -","- C70 H56 Cl2 N2 O10 -","2","1","","Zhao, Huaili; Xiao, Mingyan; Xu, Lubin; Wang, Liang; Xiao, Jian","Bifunctional thiourea catalyzed asymmetric Michael addition of anthrone to methyleneindolinones","RSC Adv.","2016","6","45","38558","","10.1039/C5RA21614A","","","0.71073","MoKα","","0.1017","0.0824","","","0.2112","0.2394","","","","","","1.052","","","","has coordinates","182203","2020-10-21","18:00:00",""
"7224950","14.9648","0.0006","9.7262","0.0004","20.3605","0.0008","90","","99.0019","0.0012","90","","2927","0.2","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","(R)-tert-butyl 4-chloro-2-oxo-3-((S)-2-oxo-1-(10-oxo-9,10-dihydroanthracen-9-yl) -2-phenylethyl)indoline-1-carboxylate","","- C35 H28 Cl N O5 -","- C35 H28 Cl N O5 -","- C140 H112 Cl4 N4 O20 -","4","1","","Zhao, Huaili; Xiao, Mingyan; Xu, Lubin; Wang, Liang; Xiao, Jian","Bifunctional thiourea catalyzed asymmetric Michael addition of anthrone to methyleneindolinones","RSC Adv.","2016","6","45","38558","","10.1039/C5RA21614A","","","0.71073","MoKα","","0.1305","0.1001","","","0.2548","0.3042","","","","","","1.043","","","","has coordinates","182203","2020-10-21","18:00:00",""
"7224951","13.5184","0.0009","13.4639","0.0008","21.0031","0.0013","90","","106.412","0.007","90","","3667","0.4","100","0.1","100","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C39 H15 Cl4 F15 N4 -","- C39 H15 Cl4 F15 N4 -","- C156 H60 Cl16 F60 N16 -","4","1","","Śniechowska, Justyna; Paluch, Piotr; Bujacz, Grzegorz; Górecki, Marcin; Frelek, Jadwiga; Gryko, Daniel T.; Potrzebowski, Marek J.","Chiral crystals from porphyrinoids possessing a very low racemization barrier","CrystEngComm","2016","18","20","3561","","10.1039/C6CE00530F","","","0.71073","MoKα","","0.1398","0.0682","","","0.1653","0.1915","","","","","","0.8832","","","","has coordinates,has disorder","185237","2020-10-21","18:00:00",""
"7224952","7.2006","0.0001","16.7077","0.0001","30.1005","0.0003","90","","90","","90","","3621.25","0.07","100.01","0.1","100.01","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","korol","","","- C39 H15 Cl4 F15 N4 -","- C39 H15 Cl4 F15 N4 -","- C156 H60 Cl16 F60 N16 -","4","1","","Śniechowska, Justyna; Paluch, Piotr; Bujacz, Grzegorz; Górecki, Marcin; Frelek, Jadwiga; Gryko, Daniel T.; Potrzebowski, Marek J.","Chiral crystals from porphyrinoids possessing a very low racemization barrier","CrystEngComm","2016","18","20","3561","","10.1039/C6CE00530F","","x-ray","1.54184","CuKα","","0.0246","0.0244","","","0.0629","0.0631","","","","","","1.066","","","","has coordinates","185237","2020-10-21","18:00:00",""
"7224953","7.339","0.002","19.964","0.006","10.771","0.003","90","","104.306","0.005","90","","1529.2","0.8","153","2","153","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H15 N O4 -","- C18 H15 N O4 -","- C72 H60 N4 O16 -","4","1","","Zhang, Xinyuan; Jiang, Xingxing; Liu, Pengxiang; Li, Yin; Tu, Heng; Lin, Zheshuai; Xu, Degang; Zhang, Guochun; Wu, Yicheng; Yao, Jianquan","Molecular design on isoxazolone-based derivatives with large second-order harmonic generation effect and terahertz wave generation","CrystEngComm","2016","18","20","3667","","10.1039/C6CE00398B","","","0.71073","MoKα","","0.0664","0.0578","","","0.1331","0.14","","","","","","1.001","","","","has coordinates","185239","2020-10-21","18:00:00",""
"7224954","12.04","0.003","6.7907","0.0014","19.562","0.004","90","","90","","90","","1599.4","0.6","153","2","153","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C20 H18 N2 O2 -","- C20 H18 N2 O2 -","- C80 H72 N8 O8 -","4","1","","Zhang, Xinyuan; Jiang, Xingxing; Liu, Pengxiang; Li, Yin; Tu, Heng; Lin, Zheshuai; Xu, Degang; Zhang, Guochun; Wu, Yicheng; Yao, Jianquan","Molecular design on isoxazolone-based derivatives with large second-order harmonic generation effect and terahertz wave generation","CrystEngComm","2016","18","20","3667","","10.1039/C6CE00398B","","","0.71073","MoKα","","0.0562","0.0447","","","0.0907","0.0967","","","","","","1.003","","","","has coordinates,has disorder","198632","2020-10-21","18:00:00",""
"7224955","11.55","0.002","11.294","0.002","33.009","0.006","90","","90","","90","","4305.9","1.3","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C28 H20 N2 O2 -","- C28 H20 N2 O2 -","- C224 H160 N16 O16 -","8","1","","Zhang, Xinyuan; Jiang, Xingxing; Liu, Pengxiang; Li, Yin; Tu, Heng; Lin, Zheshuai; Xu, Degang; Zhang, Guochun; Wu, Yicheng; Yao, Jianquan","Molecular design on isoxazolone-based derivatives with large second-order harmonic generation effect and terahertz wave generation","CrystEngComm","2016","18","20","3667","","10.1039/C6CE00398B","","","0.71073","MoKα","","0.0905","0.0451","","","0.105","0.1273","","","","","","1.008","","","","has coordinates","185239","2020-10-21","18:00:00",""
"7224956","10.2934","0.0004","15.9246","0.0005","15.9021","0.0005","90","","102.203","0.002","90","","2547.75","0.15","273","2","273","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C21 H30 Cd Cl2 N2 Ni O7 -","- C21 H30 Cd Cl2 N2 Ni O7 -","- C84 H120 Cd4 Cl8 N8 Ni4 O28 -","4","1","","Banerjee, Saikat; Bauzá, Antonio; Frontera, Antonio; Saha, Amrita","Exploration of unconventional π‒hole and C‒H⋯H‒C types of supramolecular interactions in a trinuclear Cd(ii) and a heteronuclear Cd(ii)‒Ni(ii) complex and experimental evidence for preferential site selection of the ligand by 3d and 4d metal ions","RSC Adv.","2016","6","45","39376","","10.1039/C6RA04428J","","","0.71073","MoKα","","0.0485","0.0351","","","0.0936","0.1025","","","","","","1.043","","","","has coordinates","182218","2020-10-21","18:00:00",""
"7224957","20.0254","0.0006","8.8925","0.0002","23.9742","0.0006","90","","100.745","0.001","90","","4194.37","0.19","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C38 H40 Cd3 N6 O14 -","- C38 H40 Cd3 N6 O14 -","- C152 H160 Cd12 N24 O56 -","4","1","","Banerjee, Saikat; Bauzá, Antonio; Frontera, Antonio; Saha, Amrita","Exploration of unconventional π‒hole and C‒H⋯H‒C types of supramolecular interactions in a trinuclear Cd(ii) and a heteronuclear Cd(ii)‒Ni(ii) complex and experimental evidence for preferential site selection of the ligand by 3d and 4d metal ions","RSC Adv.","2016","6","45","39376","","10.1039/C6RA04428J","","","0.71073","MoKα","","0.0321","0.0239","","","0.0614","0.0725","","","","","","1.093","","","","has coordinates","182218","2020-10-21","18:00:00",""
"7224958","16.098","0.0009","16.098","0.0009","10.1703","0.0011","90","","90","","90","","2635.6","0.4","296","2","296","2","","","","","","","","3","I -4","I -4","82","","","","- Cs2 O10 W3 -","- Cs2.727 O13.638 W4.0921 -","- Cs21.816 O109.104 W32.7368 -","8","1","","Zhang, Min; Lian, Zhipeng; Wang, Ying; Pan, Shilie","Nonlinear optical and self-activated luminescent properties of A2W3O10(A = Rb and Cs)","RSC Adv.","2016","6","45","39234","","10.1039/C6RA03407A","","","0.71073","MoKα","","0.0484","0.0466","","","0.115","0.1167","","","","","","1.089","","","","has coordinates","182219","2020-10-21","18:00:00",""
"7224959","15.9516","0.0009","15.9516","0.0009","10.0565","0.0011","90","","90","","90","","2558.9","0.3","296","2","296","2","","","","","","","","3","I -4","I -4","82","","","","- O10 Rb2 W3 -","- O13.6379 Rb2.72703 W4.0917 -","- O109.103 Rb21.8162 W32.7336 -","8","1","","Zhang, Min; Lian, Zhipeng; Wang, Ying; Pan, Shilie","Nonlinear optical and self-activated luminescent properties of A2W3O10(A = Rb and Cs)","RSC Adv.","2016","6","45","39234","","10.1039/C6RA03407A","","","0.71073","MoKα","","0.0534","0.0488","","","0.1136","0.1174","","","","","","1.041","","","","has coordinates","182219","2020-10-21","18:00:00",""
"7224960","19.0108","0.0008","10.0865","0.0003","20.7318","0.0009","90","","116.291","0.005","90","","3564.1","0.3","294.39","0.1","294.39","0.1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C21 H16 Cl N3 O2 -","- C21 H16 Cl N3 O2 -","- C168 H128 Cl8 N24 O16 -","8","1","","Li, Jun-Long; Li, Qiang; Yang, Kai-Chuan; Li, Yi; Zhou, Liang; Han, Bo; Peng, Cheng; Gou, Xiao-Jun","A practical green chemistry approach to synthesize fused bicyclic 4H-pyranes via an amine catalysed 1,4-addition and cyclization cascade","RSC Adv.","2016","6","45","38875","","10.1039/C6RA06441H","","x-ray","1.54184","CuKα","","0.0647","0.0567","","","0.1556","0.1655","","","","","","1.034","","","","has coordinates","182220","2020-10-21","18:00:00",""
"7224961","6.2362","0.0002","16.4475","0.0006","11.5774","0.0005","90","","93.457","0.004","90","","1185.33","0.08","150","2","150","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","methyl yellow","'N,N-dimethyl-4-aminoazobenzene '","","- C14 H15 N3 -","- C14 H15 N3 -","- C56 H60 N12 -","4","1","","Cruickshank, Dyanne L.; Hendon, Christopher H.; Verbeek, Matthew J. R.; Walsh, Aron; Wilson, Chick C.","Polymorphism of the azobenzene dye compound methyl yellow","CrystEngComm","2016","18","19","3456","","10.1039/C6CE00387G","","","0.71073","MoKα","","0.0892","0.0519","","","0.1046","0.1221","","","","","","1.026","","","","has coordinates","185291","2020-10-21","18:00:00",""
"7224962","15.114","0.001","19.254","0.001","12.036","0.001","103.109","0.008","104.063","0.008","102.422","0.007","3170.8","0.4","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","","","- C70 H70 Cl6 O8 -","- C70 H70 Cl6 O8 -","- C140 H140 Cl12 O16 -","2","1","","Vita, Francesco; Vorti, Michela; Orlandini, Guido; Zanichelli, Valeria; Massera, Chiara; Ugozzoli, Franco; Arduini, Arturo; Secchi, Andrea","Synthesis and recognition properties of calix[4]arene semitubes as ditopic hosts for N-alkylpyridinium ion pairs","CrystEngComm","2016","18","26","5017","","10.1039/C6CE00268D","","","1.54178","CuKα","","0.1585","0.1087","","","0.3134","0.3501","","","","","","1.119","","","","has coordinates","185195","2020-10-21","18:00:00",""
"7224963","10.574","0.001","15.785","0.001","17.417","0.002","88.866","0.002","89.179","0.002","75.592","0.002","2815","0.5","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","","","- C64 H60 Cl4 O8 -","- C64 H60 Cl4 O8 -","- C128 H120 Cl8 O16 -","2","1","","Vita, Francesco; Vorti, Michela; Orlandini, Guido; Zanichelli, Valeria; Massera, Chiara; Ugozzoli, Franco; Arduini, Arturo; Secchi, Andrea","Synthesis and recognition properties of calix[4]arene semitubes as ditopic hosts for N-alkylpyridinium ion pairs","CrystEngComm","2016","18","26","5017","","10.1039/C6CE00268D","","","0.71069","MoKα","","0.1553","0.0998","","","0.297","0.341","","","","","","1.106","","","","has coordinates","185195","2020-10-21","18:00:00",""
"7224964","24.013","0.001","4.8573","0.0002","18.3684","0.0007","90","","110.975","0.004","90","","2000.49","0.15","295","","295","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H16 Br2 N4 O4 -","- C18 H16 Br2 N4 O4 -","- C72 H64 Br8 N16 O16 -","4","1","","Mavračić, Juraj; Cinčić, Dominik; Kaitner, Branko","Halogen bonding of N-bromosuccinimide by grinding","CrystEngComm","2016","18","19","3343","","10.1039/C6CE00638H","","","0.71073","MoKα","","0.0968","0.0328","","","0.0482","0.0522","","","","","","0.705","","","","has coordinates","185294","2020-10-21","18:00:00",""
"7224965","15.734","0.0006","7.37","0.0003","12.207","0.0004","90","","107.213","0.004","90","","1352.12","0.09","295","","295","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H12 Br N3 O2 -","- C14 H12 Br N3 O2 -","- C56 H48 Br4 N12 O8 -","4","1","","Mavračić, Juraj; Cinčić, Dominik; Kaitner, Branko","Halogen bonding of N-bromosuccinimide by grinding","CrystEngComm","2016","18","19","3343","","10.1039/C6CE00638H","","","0.71073","MoKα","","0.0595","0.031","","","0.0535","0.0565","","","","","","0.833","","","","has coordinates","185294","2020-10-21","18:00:00",""
"7224966","12.7147","0.0016","6.2855","0.0009","27.243","0.003","90","","100.679","0.009","90","","2139.5","0.5","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H26 N6 O3 S -","- C20 H26 N6 O3 S -","- C80 H104 N24 O12 S4 -","4","1","","Phukan, Nithi; Baruah, Jubaraj B.","Imine-tautomers of aminothiazole derivatives: intriguing aspects of chemical reactivities","CrystEngComm","2016","18","21","3877","","10.1039/C6CE00676K","","","0.71073","MoKα","","0.132","0.0509","","","0.0875","0.0994","","","","","","0.817","","","","has coordinates","185246","2020-10-21","18:00:00",""
"7224967","8.5882","0.0006","9.0566","0.0007","13.2569","0.0009","93.909","0.004","107.379","0.004","107.982","0.004","921.26","0.12","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C15 H19 N5 O3 S2 -","- C15 H19 N5 O3 S2 -","- C30 H38 N10 O6 S4 -","2","1","","Phukan, Nithi; Baruah, Jubaraj B.","Imine-tautomers of aminothiazole derivatives: intriguing aspects of chemical reactivities","CrystEngComm","2016","18","21","3877","","10.1039/C6CE00676K","","","0.71073","MoKα","","0.059","0.0398","","","0.0739","0.0802","","","","","","1.036","","","","has coordinates","185246","2020-10-21","18:00:00",""
"7224968","7.8556","0.0004","10.5492","0.0005","11.5009","0.0006","91.605","0.003","102.511","0.003","110.839","0.002","863.8","0.08","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C13 H16 N4 O3 S3 -","- C13 H16 N4 O3 S3 -","- C26 H32 N8 O6 S6 -","2","1","","Phukan, Nithi; Baruah, Jubaraj B.","Imine-tautomers of aminothiazole derivatives: intriguing aspects of chemical reactivities","CrystEngComm","2016","18","21","3877","","10.1039/C6CE00676K","","","0.71073","MoKα","","0.0393","0.0339","","","0.0719","0.0739","","","","","","1.037","","","","has coordinates","185246","2020-10-21","18:00:00",""
"7224969","35.437","0.002","5.1812","0.0003","19.7021","0.001","90","","94.827","0.005","90","","3604.6","0.3","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C27.6 H31.6 N10 O6 S4 Zn -","- C27.6 H31.6 N10 O6 S4 Zn -","- C110.4 H126.4 N40 O24 S16 Zn4 -","4","0.5","","Phukan, Nithi; Baruah, Jubaraj B.","Imine-tautomers of aminothiazole derivatives: intriguing aspects of chemical reactivities","CrystEngComm","2016","18","21","3877","","10.1039/C6CE00676K","","","0.71073","MoKα","","0.0844","0.0571","","","0.0983","0.11","","","","","","1.034","","","","has coordinates","185246","2020-10-21","18:00:00",""
"7224970","10.6976","0.0008","12.5934","0.0009","14.4096","0.0009","87.49","0.005","85.965","0.005","83.479","0.005","1922.7","0.2","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C11 H10 N4 O2 S2 -","- C11 H10 N4 O2 S2 -","- C66 H60 N24 O12 S12 -","6","3","","Phukan, Nithi; Baruah, Jubaraj B.","Imine-tautomers of aminothiazole derivatives: intriguing aspects of chemical reactivities","CrystEngComm","2016","18","21","3877","","10.1039/C6CE00676K","","","0.71073","MoKα","","0.1077","0.0577","","","0.1392","0.1705","","","","","","1.003","","","","has coordinates","185246","2020-10-21","18:00:00",""
"7224971","9.2653","0.0007","10.2683","0.0007","11.4407","0.0008","66.57","0.004","80.387","0.005","65.245","0.005","906.93","0.12","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C13 H15 Br N4 O4 S2 -","- C13 H15 Br N4 O4 S2 -","- C26 H30 Br2 N8 O8 S4 -","2","1","","Phukan, Nithi; Baruah, Jubaraj B.","Imine-tautomers of aminothiazole derivatives: intriguing aspects of chemical reactivities","CrystEngComm","2016","18","21","3877","","10.1039/C6CE00676K","","","0.71073","MoKα","","0.1286","0.0516","","","0.0816","0.1075","","","","","","1.004","","","","has coordinates","185246","2020-10-21","18:00:00",""
"7224972","24.018","0.0018","4.9616","0.0002","23.5481","0.0018","90","","112.834","0.009","90","","2586.3","0.3","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C11 H10 N4 O2 S2 -","- C11 H10 N4 O2 S2 -","- C88 H80 N32 O16 S16 -","8","1","","Phukan, Nithi; Baruah, Jubaraj B.","Imine-tautomers of aminothiazole derivatives: intriguing aspects of chemical reactivities","CrystEngComm","2016","18","21","3877","","10.1039/C6CE00676K","","","0.71073","MoKα","","0.0572","0.0415","","","0.1201","0.1398","","","","","","0.999","","","","has coordinates","185246","2020-10-21","18:00:00",""
"7224973","8.6923","0.0002","9.6622","0.0002","11.9422","0.0003","106.389","0.001","91.668","0.001","107.403","0.001","911.1","0.04","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C15 H19 N5 O3 S2 -","- C15 H19 N5 O3 S2 -","- C30 H38 N10 O6 S4 -","2","1","","Phukan, Nithi; Baruah, Jubaraj B.","Imine-tautomers of aminothiazole derivatives: intriguing aspects of chemical reactivities","CrystEngComm","2016","18","21","3877","","10.1039/C6CE00676K","","","0.71073","MoKα","","0.0444","0.0384","","","0.118","0.1269","","","","","","1.005","","","","has coordinates","185246","2020-10-21","18:00:00",""
"7224974","6.557","0.002","8.595","0.002","12.225","0.003","92.35","0.02","91.9","0.02","98.16","0.02","680.9","0.3","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C11 H12 N4 O4 S -","- C11 H12 N4 O4 S -","- C22 H24 N8 O8 S2 -","2","1","","Phukan, Nithi; Baruah, Jubaraj B.","Imine-tautomers of aminothiazole derivatives: intriguing aspects of chemical reactivities","CrystEngComm","2016","18","21","3877","","10.1039/C6CE00676K","","","0.71073","MoKα","","0.2901","0.1164","","","0.2735","0.3261","","","","","","1.097","","","","has coordinates","185246","2020-10-21","18:00:00",""
"7224975","8.4079","0.0008","10.8878","0.0011","13.9669","0.0014","86.117","0.006","85.722","0.006","68.541","0.005","1185.5","0.2","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C23 H25 N7 O5 S -","- C23 H25 N7 O5 S -","- C46 H50 N14 O10 S2 -","2","1","","Phukan, Nithi; Baruah, Jubaraj B.","Imine-tautomers of aminothiazole derivatives: intriguing aspects of chemical reactivities","CrystEngComm","2016","18","21","3877","","10.1039/C6CE00676K","","","0.71073","MoKα","","0.1518","0.0552","","","0.0654","0.0818","","","","","","1.001","","","","has coordinates","185246","2020-10-21","18:00:00",""
"7224976","11.7945","0.0002","20.7553","0.0002","12.0487","0.0002","90","","95.033","0.001","90","","2938.13","0.08","120","1","120","1","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C27 H36 Fe N6 O2 S2 -","- C27 H36 Fe N6 O2 S2 -","- C108 H144 Fe4 N24 O8 S8 -","4","2","","Seredyuk, Maksym; Znovjyak, Kateryna; Muñoz, M. Carmen; Galyametdinov, Yurii; Fritsky, Igor O.; Real, Jose A.","Imparting hysteretic behavior to spin transition in neutral mononuclear complexes","RSC Adv.","2016","6","46","39627","","10.1039/C6RA05342D","","","0.71069","MoKα","","0.0466","0.0396","","","0.091","0.0979","","","","","","0.982","","","","has coordinates","192220","2020-10-21","18:00:00",""
"7224977","11.923","0.005","21.342","0.005","12.365","0.005","90","0.005","94.533","0.005","90","0.005","3137","2","400","1","400","1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C27 H36 Fe N6 O2 S2 -","- C27 H36 Fe N6 O2 S2 -","- C108 H144 Fe4 N24 O8 S8 -","4","1","","Seredyuk, Maksym; Znovjyak, Kateryna; Muñoz, M. Carmen; Galyametdinov, Yurii; Fritsky, Igor O.; Real, Jose A.","Imparting hysteretic behavior to spin transition in neutral mononuclear complexes","RSC Adv.","2016","6","46","39627","","10.1039/C6RA05342D","","","0.71069","MoKα","","0.1229","0.0877","","","0.2074","0.2587","","","","","","0.954","","","","has coordinates","182236","2020-10-21","18:00:00",""
"7224978","12.217","0.013","12.431","0.013","14.535","0.016","100.436","0.01","112.654","0.009","104.495","0.01","1875","3","173","2","173.15","","","","","","","","","5","P -1","-P 1","2","","7-((2-(3',6'-bis(diethylamino)-3-oxospiro[isoindoline-1,9'-xanthen]-2-yl)ethyl)carbamoyl)-3-butyl-1-chloro-2-methylimidazo[1,5-α]pyridin-2-ium iodide","","- C42 H47 Cl N6 O3 -","- C42 H47 Cl N6 O3 -","- C84 H94 Cl2 N12 O6 -","2","1","","Song, Guang-Jie; Bai, Su-Yun; Dai, Xi; Cao, Xiao-Qun; Zhao, Bao-Xiang","A ratiometric lysosomal pH probe based on the imidazo[1,5-α]pyridine‒rhodamine FRET and ICT system","RSC Adv.","2016","","","","","10.1039/C5RA25947A","","","0.71","MoKα","","0.1447","0.067","","","0.1451","0.1835","","","","","","0.998","","","","has coordinates","182237","2020-10-21","18:00:00",""
"7224979","11.6197","0.0003","9.4493","0.0004","30.4715","0.001","90","","92.932","0.002","90","","3341.3","0.2","100","2","100","2","","","","","","","","4","C 1 c 1","C -2yc","9","","pyrrole-2,5-diacetic acid phenyl bisamide","","- C20 H19 N3 O2 -","- C20 H19 N3 O2 -","- C160 H152 N24 O16 -","8","2","","Jurczak, Janusz; Dydio, Pawel; Stepniak, Pawel; Zielinski, Tomasz","A Hybrid Macrocyclic Anion Receptor Exploiting the Pyrrole-2,5-diacetamide Unit","RSC Adv.","2016","","","","","10.1039/C6RA05804C","","","0.71073","MoKα","","0.0576","0.0549","","","0.1479","0.1512","","","","","","1.123","","","","has coordinates","182238","2020-10-21","18:00:00",""
"7224980","9","0.0018","14.045","0.003","11.779","0.002","90","","92.38","0.03","90","","1487.6","0.5","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H34 F12 N8 P2 -","- C20 H34 F12 N8 P2 -","- C40 H68 F24 N16 P4 -","2","0.5","","Hornung, Julius; Hübner, Olaf; Kaifer, Elisabeth; Himmel, Hans-Jörg","Bent and twisted: the electronic structure of 2-azapropenylium ions obtained by guanidine oxidation","RSC Adv.","2016","6","45","39323","","10.1039/C6RA04494H","","","0.71073","MoKα","","0.0821","0.0547","","","0.1406","0.159","","","","","","1.038","","","","has coordinates","182239","2020-10-21","18:00:00",""
"7224981","6.912","0.0014","8.356","0.0017","8.844","0.0018","110.9","0.03","97.94","0.03","111.5","0.03","422.2","0.2","100","","100","","","","","","","","","3","P -1","-P 1","2","","","","- C16 H28 N6 -","- C16 H28 N6 -","- C16 H28 N6 -","1","0.5","","Hornung, Julius; Hübner, Olaf; Kaifer, Elisabeth; Himmel, Hans-Jörg","Bent and twisted: the electronic structure of 2-azapropenylium ions obtained by guanidine oxidation","RSC Adv.","2016","6","45","39323","","10.1039/C6RA04494H","","","0.71073","MoKα","","0.0728","0.0463","","","0.112","0.1278","","","","","","1.038","","","","has coordinates","182239","2020-10-21","18:00:00",""
"7224982","17.8718","0.0019","7.3891","0.0009","34.001","0.003","90","","93.644","0.005","90","","4481","0.8","296","2","296","2","","","","","","","4- DIMETHYLAMINOPYRIDINE and P-HYDROXY BENZOIC ACID","4","P 1 21/c 1","-P 2ybc","14","","4- DIMETHYLAMINOPYRIDINIUM P-HYDROXY BENZOATE PENTAHYDRATE","","- C14 H19.33333 N2 O4.66667 -","- C14 H19.3333 N2 O4.66667 -","- C168 H232 N24 O56 -","12","3","","P, Sathya; S, Pugazhendhi; R, Gopalakrishnan","SELF-ASSEMBLED SUPRAMOLECULAR STRUCTURE OF 4- DIMETHYLAMINOPYRIDINIUM P-HYDROXY BENZOATE PENTAHYDRATE: SYNTHESIS, GROWTH, OPTICAL AND BIOLOGICAL PROPERTIES","RSC Adv.","2016","","","","","10.1039/C6RA00283H","","","0.71073","MoKα","","0.099","0.0471","","","0.1268","0.1806","","","","","","0.996","","","","has coordinates","192220","2020-10-21","18:00:00",""
"7224983","15.2397","0.0004","15.2397","0.0004","11.1438","0.0003","90","","90","","120","","2241.39","0.1","150","2","150","2","","","","","","","","4","R -3 m :H","-R 3 2""","166","","","","- Br8 H32 Mo6 O18 -","- Br8 H31.92 Mo6 O18 -","- Br24 H95.76 Mo18 O54 -","3","0.0833333","","Vorotnikov, Yuri A.; Efremova, Olga A.; Vorotnikova, Natalya A.; Brylev, Konstantin; Edeleva, Mariya V.; Tsygankova, Alphiya R.; Smolentsev, Anton I.; Kitamura, N.; Mironov, Yuri V.; Shestopalov, Michael A.","On the synthesis and characterisation of luminescent hybrid particles: Mo6metal cluster complex / SiO2","RSC Adv.","2016","","","","","10.1039/C6RA04321F","","","0.71073","MoKα","","0.0114","0.0107","","","0.0259","0.026","","","","","","1.124","","","","has coordinates","182241","2020-10-21","18:00:00",""
"7224984","15.7382","0.0011","15.7382","0.0011","11.3109","0.0007","90","","90","","120","","2426.3","0.3","150","2","150","2","","","","","","","","4","R -3 m :H","-R 3 2""","166","","","","- H32 I8 Mo6 O18 -","- H31.92 I8 Mo6 O18 -","- H95.76 I24 Mo18 O54 -","3","0.0833333","","Vorotnikov, Yuri A.; Efremova, Olga A.; Vorotnikova, Natalya A.; Brylev, Konstantin; Edeleva, Mariya V.; Tsygankova, Alphiya R.; Smolentsev, Anton I.; Kitamura, N.; Mironov, Yuri V.; Shestopalov, Michael A.","On the synthesis and characterisation of luminescent hybrid particles: Mo6metal cluster complex / SiO2","RSC Adv.","2016","","","","","10.1039/C6RA04321F","","","0.71073","MoKα","","0.0187","0.0166","","","0.0366","0.0373","","","","","","1.163","","","","has coordinates","182242","2020-10-21","18:00:00",""
"7224985","10.1327","0.0005","13.1142","0.0006","16.2637","0.0007","80.616","0.004","84.703","0.004","68.575","0.005","1983.63","0.17","10","5","10","5","","","","","","","","9","P -1","-P 1","2","","","","- C36 H66 B Cl F4 N O P2 Ru -","- C36 H66 B Cl F4 N2 O2 P2 Ru -","- C72 H132 B2 Cl2 F8 N4 O4 P4 Ru2 -","2","1","","Casaretto, N.; Fournier, B.; Pillet, S.; Bendeif, E. E.; Schaniel, D.; Gallien, A. K. E.; Klüfers, P.; Woike, T.","Photo-induced linkage NO isomers in the dinitrosyl complex [Ru(NO)2(PCy3)2Cl](BF4) identified by photocrystallography and IR-spectroscopy","CrystEngComm","2016","18","38","7260","","10.1039/C6CE00735J","","","0.71073","MoKα","","0.0497","0.038","","","0.079","0.085","","","","","","1.037","","","","has coordinates,has disorder","187031","2020-10-21","18:00:00",""
"7224986","10.0316","0.0014","10.0316","0.0014","17.575","0.004","90","","90","","120","","1531.7","0.5","122.1","0.1","122.1","0.1","","","","","","","","5","R 3","R 3","146","","","","- C12 H14 N12 O4 Zn2 -","- C12 H13.98 N12 O4 Zn2 -","- C36 H41.94 N36 O12 Zn6 -","3","","","Cao, Chun-Shuai; Hu, Huan-Cheng; Xu, Hang; Qiao, Wan-Zhen; Zhao, Bin","Two solvent-stable MOFs as a recyclable luminescent probe for detecting dichromate or chromate anions","CrystEngComm","2016","18","23","4445","","10.1039/C5CE02568K","","","0.71073","MoKα","","0.0807","0.0643","","","0.1534","0.1684","","","","","","1.046","","","","has coordinates","185285","2020-10-21","18:00:00",""
"7224987","8.154","0.002","10.448","0.002","21.731","0.004","90","","93.37","0.02","90","","1848.1","0.7","100","1","100","1","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C26 H22 Fe -","- C26 H22 Fe -","- C104 H88 Fe4 -","4","2","","Majchrzak, M.; Kostera, S.; Grzelak, M.; Marciniec, B.; Kubicki, M.","An efficient catalytic synthesis and characterization of new styryl-ferrocenes and their trans-π-conjugated organosilicon materials","RSC Adv.","2016","6","46","39947","","10.1039/C6RA00859C","","","0.7107","MoKα","","0.0857","0.0599","","","0.0801","0.0883","","","","","","0.91","","","","has coordinates","182252","2020-10-21","18:00:00",""
"7224988","31.5821","0.0012","31.5821","0.0012","5.8362","0.0005","90","","90","","120","","5041.3","0.5","293","2","293","2","","","","","","","","3","R -3 :H","-R 3","148","","","","- C28 H18 N6 -","- C28 H18 N6 -","- C252 H162 N54 -","9","0.5","","Martins, Marcos A. P.; Hörner, Manfredo; Beck, Johannes; Tier, Aniele Z.; Belladona, Andrei L.; Meyer, Alexandre R.; Zanatta, Nilo; Bonacorso, Helio G.; Frizzo, Clarissa P.","Polymorphism in an 18-membered macrocycle: an energetic and topological approach to understand the supramolecular structure","CrystEngComm","2016","18","21","3866","","10.1039/C5CE02123E","","","0.71073","MoKα","","0.1191","0.0411","","","0.0906","0.1006","","","","","","0.713","","","","has coordinates","185242","2020-10-21","18:00:00",""
"7224989","11.8253","0.0014","6.2971","0.0005","15.069","0.002","90","","100.9","0.005","90","","1101.9","0.2","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C28 H18 N6 -","- C28 H18 N6 -","- C56 H36 N12 -","2","0.5","","Martins, Marcos A. P.; Hörner, Manfredo; Beck, Johannes; Tier, Aniele Z.; Belladona, Andrei L.; Meyer, Alexandre R.; Zanatta, Nilo; Bonacorso, Helio G.; Frizzo, Clarissa P.","Polymorphism in an 18-membered macrocycle: an energetic and topological approach to understand the supramolecular structure","CrystEngComm","2016","18","21","3866","","10.1039/C5CE02123E","","","0.71073","MoKα","","0.1892","0.0691","","","0.1811","0.2376","","","","","","0.949","","","","has coordinates","185242","2020-10-21","18:00:00",""
"7224990","7.2379","0.001","8.6275","0.0012","12.664","0.002","102.003","0.008","100.361","0.008","91.428","0.009","759.3","0.19","150","2","150","2","","","","","","","synthesis as described","4","P -1","-P 1","2","neutral complex TMTTF_1","TMTTF_1","","- C26 H22 N6 S8 -","- C26 H22 N6 S8 -","- C26 H22 N6 S8 -","1","0.5","","Le Gal, Yann; Rajkumar, Mangaiyarkarasi; Vacher, Antoine; Dorcet, Vincent; Roisnel, Thierry; Fourmigué, Marc; Barrière, Frédéric; Guizouarn, Thierry; Lorcy, Dominique","A sulfur-rich π-electron acceptor derived from 5,5′-bithiazolidinylidene: charge-transfer complex vs. charge-transfer salt","CrystEngComm","2016","18","21","3925","","10.1039/C6CE00772D","","x-ray","0.71073","MoKα","","0.0813","0.061","","","0.1361","0.1464","","","","","","1.024","","","","has coordinates","185245","2020-10-21","18:00:00",""
"7224991","9.9664","0.0007","9.6751","0.0006","16.8053","0.0013","90","","99.922","0.005","90","","1596.2","0.2","150","2","150","2","","","","","","","synthesis as described","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H13 N5 S3 -","- C14 H13 N5 S3 -","- C56 H52 N20 S12 -","4","1","","Le Gal, Yann; Rajkumar, Mangaiyarkarasi; Vacher, Antoine; Dorcet, Vincent; Roisnel, Thierry; Fourmigué, Marc; Barrière, Frédéric; Guizouarn, Thierry; Lorcy, Dominique","A sulfur-rich π-electron acceptor derived from 5,5′-bithiazolidinylidene: charge-transfer complex vs. charge-transfer salt","CrystEngComm","2016","18","21","3925","","10.1039/C6CE00772D","","x-ray","0.71073","MoKα","","0.0527","0.0423","","","0.099","0.106","","","","","","1.053","","","","has coordinates","185245","2020-10-21","18:00:00",""
"7224992","7.2959","0.0011","8.7231","0.0012","12.7388","0.0018","102.719","0.008","101.011","0.007","91.481","0.007","774.3","0.2","293","2","293","2","","","","","","","synthesis as described","4","P -1","-P 1","2","","","","- C26 H22 N6 S8 -","- C26 H22 N6 S8 -","- C26 H22 N6 S8 -","1","0.5","","Le Gal, Yann; Rajkumar, Mangaiyarkarasi; Vacher, Antoine; Dorcet, Vincent; Roisnel, Thierry; Fourmigué, Marc; Barrière, Frédéric; Guizouarn, Thierry; Lorcy, Dominique","A sulfur-rich π-electron acceptor derived from 5,5′-bithiazolidinylidene: charge-transfer complex vs. charge-transfer salt","CrystEngComm","2016","18","21","3925","","10.1039/C6CE00772D","","x-ray","0.71073","MoKα","","0.0685","0.0417","","","0.1016","0.114","","","","","","1.065","","","","has coordinates","185245","2020-10-21","18:00:00",""
"7224993","5.3638","0.0002","7.2562","0.0003","12.7329","0.0005","77.773","0.002","80.204","0.001","69.11","0.001","450.06","0.03","294","2","294","2","","","","","","","synthesis as described","4","P -1","-P 1","2","","","","- C16 H10 N6 S4 -","- C16 H10 N6 S4 -","- C16 H10 N6 S4 -","1","0.5","","Le Gal, Yann; Rajkumar, Mangaiyarkarasi; Vacher, Antoine; Dorcet, Vincent; Roisnel, Thierry; Fourmigué, Marc; Barrière, Frédéric; Guizouarn, Thierry; Lorcy, Dominique","A sulfur-rich π-electron acceptor derived from 5,5′-bithiazolidinylidene: charge-transfer complex vs. charge-transfer salt","CrystEngComm","2016","18","21","3925","","10.1039/C6CE00772D","","x-ray","0.71073","MoKα","","0.0292","0.0261","","","0.0711","0.0747","","","","","","1.053","","","","has coordinates","185245","2020-10-21","18:00:00",""
"7224994","8.6586","0.0005","20.4937","0.0012","10.9221","0.0006","90","","109.724","0.002","90","","1824.38","0.18","150","2","150","2","","","","","","","synthesis as described","5","P 1 21/n 1","-P 2yn","14","","","","- C36 H40 Fe N6 S4 -","- C36 H40 Fe N6 S4 -","- C72 H80 Fe2 N12 S8 -","2","0.5","","Le Gal, Yann; Rajkumar, Mangaiyarkarasi; Vacher, Antoine; Dorcet, Vincent; Roisnel, Thierry; Fourmigué, Marc; Barrière, Frédéric; Guizouarn, Thierry; Lorcy, Dominique","A sulfur-rich π-electron acceptor derived from 5,5′-bithiazolidinylidene: charge-transfer complex vs. charge-transfer salt","CrystEngComm","2016","18","21","3925","","10.1039/C6CE00772D","","x-ray","0.71073","MoKα","","0.1067","0.0937","","","0.2136","0.2203","","","","","","1.279","","","","has coordinates,has disorder","287935","2023-12-01","15:08:13",""
"7224995","8.0024","0.0002","9.6519","0.0003","10.0837","0.0003","102.814","0.001","96.576","0.001","91.473","0.001","753.4","0.04","296","2","296","2","","","","","","","","3","P -1","-P 1","2","monobenzoylpyrene","phenyl(pyren-1-yl)methanone","","- C23 H14 O -","- C23 H14 O -","- C46 H28 O2 -","2","1","","Rajagopal, Shinaj K.; Reddy, V. Sivaranjana; Hariharan, Mahesh","Crystallization induced green-yellow-orange emitters based on benzoylpyrenes","CrystEngComm","2016","18","27","5089","","10.1039/C6CE00610H","","","0.71073","MoKα","","0.0511","0.0377","","","0.1208","0.1458","","","","","","1.151","","","","has coordinates","185229","2020-10-21","18:00:00",""
"7224996","10.0326","0.0003","10.6238","0.0003","11.6287","0.0004","94.489","0.001","99.49","0.002","117.263","0.001","1069.83","0.06","296","2","296","2","","","","","","","","3","P -1","-P 1","2","pyrene-1,3-diylbis(phenylmethanone)","1,3 Dibenzoylpyrene","","- C30 H18 O2 -","- C30 H18 O2 -","- C60 H36 O4 -","2","1","","Rajagopal, Shinaj K.; Reddy, V. Sivaranjana; Hariharan, Mahesh","Crystallization induced green-yellow-orange emitters based on benzoylpyrenes","CrystEngComm","2016","18","27","5089","","10.1039/C6CE00610H","","","0.71073","MoKα","","0.0503","0.0408","","","0.1147","0.1292","","","","","","1.067","","","","has coordinates","185229","2020-10-21","18:00:00",""
"7224997","5.4689","0.0003","8.251","0.0005","22.572","0.0015","90","","95.604","0.002","90","","1013.67","0.11","296","2","296","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","1,6 Dibenzoylpyrene","pyrene-1,6-diylbis(phenylmethanone)","","- C30 H18 O2 -","- C30 H18 O2 -","- C60 H36 O4 -","2","0.5","","Rajagopal, Shinaj K.; Reddy, V. Sivaranjana; Hariharan, Mahesh","Crystallization induced green-yellow-orange emitters based on benzoylpyrenes","CrystEngComm","2016","18","27","5089","","10.1039/C6CE00610H","","","0.71073","MoKα","","0.0427","0.0337","","","0.087","0.0955","","","","","","1.039","","","","has coordinates","185229","2020-10-21","18:00:00",""
"7224998","25.1722","0.0005","8.4269","0.0002","19.6579","0.0005","90","","99.886","0.001","90","","4107.99","0.17","296","2","296","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","1,8 Dibenzoylpyrene","pyrene-1,8-diylbis(phenylmethanone)","","- C30 H18 O2 -","- C30 H18 O2 -","- C240 H144 O16 -","8","1","","Rajagopal, Shinaj K.; Reddy, V. Sivaranjana; Hariharan, Mahesh","Crystallization induced green-yellow-orange emitters based on benzoylpyrenes","CrystEngComm","2016","18","27","5089","","10.1039/C6CE00610H","","","0.71073","MoKα","","0.0711","0.0482","","","0.1237","0.16","","","","","","1.155","","","","has coordinates","185229","2020-10-21","18:00:00",""
"7224999","8.9515","0.0004","11.9373","0.0005","14.2375","0.0006","104.703","0.002","102.28","0.002","109.581","0.002","1310.36","0.1","296","2","296","2","","","","","","","","3","P -1","-P 1","2","Tribenzoylpyrene","pyrene-1,3,6-triyltris(phenylmethanone)","","- C37 H22 O3 -","- C37 H22 O3 -","- C74 H44 O6 -","2","1","","Rajagopal, Shinaj K.; Reddy, V. Sivaranjana; Hariharan, Mahesh","Crystallization induced green-yellow-orange emitters based on benzoylpyrenes","CrystEngComm","2016","18","27","5089","","10.1039/C6CE00610H","","","0.71073","MoKα","","0.0855","0.0421","","","0.114","0.161","","","","","","1.082","","","","has coordinates","185229","2020-10-21","18:00:00",""
"7225000","5.6503","0.0016","20.897","0.005","12.787","0.003","90","","101.506","0.012","90","","1479.5","0.7","296","2","296","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","Tetrabenzoylpyrene","pyrene-1,3,6,8-tetrayltetrakis(phenylmethanone)","","- C44 H26 O4 -","- C44 H26 O4 -","- C88 H52 O8 -","2","0.5","","Rajagopal, Shinaj K.; Reddy, V. Sivaranjana; Hariharan, Mahesh","Crystallization induced green-yellow-orange emitters based on benzoylpyrenes","CrystEngComm","2016","18","27","5089","","10.1039/C6CE00610H","","","0.71073","MoKα","","0.0623","0.0403","","","0.1084","0.1253","","","","","","1.003","","","","has coordinates","185229","2020-10-21","18:00:00",""
"7225001","21.563","0.005","14.172","0.005","13.642","0.005","90","","106.815","0.005","90","","3991","2","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C32.2 H39.8 Cd N10.4 O8.4 -","- C22 H16 Cd N7 O5 -","- C88 H64 Cd4 N28 O20 -","4","1","","Yang, Liu; Li, Xiao; Qin, Chao; Shao, Kui-Zhan; Su, Zhong-Min","A fluorescent sensor for highly selective sensing of nitro explosives and Hg(ii) ions based on a 3D porous layer metal‒organic framework","CrystEngComm","2016","18","25","4765","","10.1039/C6CE00745G","","","0.71069","MoKα","","0.0545","0.0373","","","0.0904","0.0935","","","","","","1.04","","","","has coordinates","185210","2020-10-21","18:00:00",""
"7225002","8.522","0.0002","15.459","0.0001","15.7009","0.0002","90","","122.166","0.001","90","","1750.97","0.05","120","","120","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C15 H12 N6 O S2 Zn -","- C15 H12 N6 O S2 Zn -","- C60 H48 N24 O4 S8 Zn4 -","4","1","","Afkhami, Farhad Akbari; Khandar, Ali Akbar; Mahmoudi, Ghodrat; Maniukiewicz, Waldemar; Lipkowski, Janusz; White, Jonathan M.; Waterman, Rory; García-Granda, Santiago; Zangrando, Ennio; Bauzá, Antonio; Frontera, Antonio","Synthesis, X-ray characterization, DFT calculations and Hirshfeld surface analysis of Zn(ii) and Cd(ii) complexes based on isonicotinoylhydrazone ligand","CrystEngComm","2016","18","24","4587","","10.1039/C6CE00877A","","","1.5418","CuKα","","0.0357","0.0282","","","0.0662","0.0697","","","","","","1.06","","","","has coordinates","185225","2020-10-21","18:00:00",""
"7225003","27.2384","0.001","12.3781","0.0002","23.7446","0.0009","90","","133.803","0.007","90","","5777.9","0.7","100","1","100","1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C26 H26 N10 O9 Zn -","- C26 H25.192 N10 O8.596 Zn -","- C208 H201.536 N80 O68.768 Zn8 -","8","1","","Afkhami, Farhad Akbari; Khandar, Ali Akbar; Mahmoudi, Ghodrat; Maniukiewicz, Waldemar; Lipkowski, Janusz; White, Jonathan M.; Waterman, Rory; García-Granda, Santiago; Zangrando, Ennio; Bauzá, Antonio; Frontera, Antonio","Synthesis, X-ray characterization, DFT calculations and Hirshfeld surface analysis of Zn(ii) and Cd(ii) complexes based on isonicotinoylhydrazone ligand","CrystEngComm","2016","18","24","4587","","10.1039/C6CE00877A","","","0.71073","MoKα","","0.0303","0.0274","","","0.0626","0.0637","","","","","","1.028","","","","has coordinates","185225","2020-10-21","18:00:00",""
"7225004","12.4748","0.0003","19.5344","0.0003","10.0185","0.0002","90","","90","","90","","2441.39","0.09","130","0.1","130","0.1","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C26 H22 Cd N8 O2 -","- C26 H22 Cd N8 O2 -","- C104 H88 Cd4 N32 O8 -","4","1","","Afkhami, Farhad Akbari; Khandar, Ali Akbar; Mahmoudi, Ghodrat; Maniukiewicz, Waldemar; Lipkowski, Janusz; White, Jonathan M.; Waterman, Rory; García-Granda, Santiago; Zangrando, Ennio; Bauzá, Antonio; Frontera, Antonio","Synthesis, X-ray characterization, DFT calculations and Hirshfeld surface analysis of Zn(ii) and Cd(ii) complexes based on isonicotinoylhydrazone ligand","CrystEngComm","2016","18","24","4587","","10.1039/C6CE00877A","","","0.7107","MoKα","","0.0418","0.0289","","","0.0639","0.0711","","","","","","1.048","","","","has coordinates","185225","2020-10-21","18:00:00",""
"7225005","7.5604","0.0003","8.0042","0.0003","15.2219","0.0006","93.114","0.002","103.265","0.002","115.536","0.002","796.58","0.06","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C13 H12 I2 N4 O Zn -","- C13 H12 I2 N4 O Zn -","- C26 H24 I4 N8 O2 Zn2 -","2","1","","Afkhami, Farhad Akbari; Khandar, Ali Akbar; Mahmoudi, Ghodrat; Maniukiewicz, Waldemar; Lipkowski, Janusz; White, Jonathan M.; Waterman, Rory; García-Granda, Santiago; Zangrando, Ennio; Bauzá, Antonio; Frontera, Antonio","Synthesis, X-ray characterization, DFT calculations and Hirshfeld surface analysis of Zn(ii) and Cd(ii) complexes based on isonicotinoylhydrazone ligand","CrystEngComm","2016","18","24","4587","","10.1039/C6CE00877A","","","0.71073","MoKα","","0.038","0.0276","","","0.0613","0.0649","","","","","","1.033","","","","has coordinates","185225","2020-10-21","18:00:00",""
"7225006","7.5331","0.0009","7.832","0.001","14.7352","0.0018","93.269","0.001","103.01","0.001","116.005","0.001","749.16","0.16","132","2","132","2","","","","","","","","6","P -1","-P 1","2","","","","- C13 H12 Br2 N4 O Zn -","- C13 H12 Br2 N4 O Zn -","- C26 H24 Br4 N8 O2 Zn2 -","2","1","","Afkhami, Farhad Akbari; Khandar, Ali Akbar; Mahmoudi, Ghodrat; Maniukiewicz, Waldemar; Lipkowski, Janusz; White, Jonathan M.; Waterman, Rory; García-Granda, Santiago; Zangrando, Ennio; Bauzá, Antonio; Frontera, Antonio","Synthesis, X-ray characterization, DFT calculations and Hirshfeld surface analysis of Zn(ii) and Cd(ii) complexes based on isonicotinoylhydrazone ligand","CrystEngComm","2016","18","24","4587","","10.1039/C6CE00877A","","","0.71073","MoKα","","0.0283","0.0217","","","0.0488","0.0508","","","","","","1.044","","","","has coordinates","185225","2020-10-21","18:00:00",""
"7225007","8.874","0.003","15.738","0.005","15.117","0.007","90","","95.4","0.02","90","","2101.9","1.4","100","1","100","1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C15 H20 Cd I2 N4 O3 -","- C15 H20 Cd I2 N4 O3 -","- C60 H80 Cd4 I8 N16 O12 -","4","1","","Afkhami, Farhad Akbari; Khandar, Ali Akbar; Mahmoudi, Ghodrat; Maniukiewicz, Waldemar; Lipkowski, Janusz; White, Jonathan M.; Waterman, Rory; García-Granda, Santiago; Zangrando, Ennio; Bauzá, Antonio; Frontera, Antonio","Synthesis, X-ray characterization, DFT calculations and Hirshfeld surface analysis of Zn(ii) and Cd(ii) complexes based on isonicotinoylhydrazone ligand","CrystEngComm","2016","18","24","4587","","10.1039/C6CE00877A","","","0.71073","MoKα","","0.021","0.0203","","","0.0507","0.051","","","","","","1.161","","","","has coordinates","185225","2020-10-21","18:00:00",""
"7225008","7.8599","0.0001","14.8149","0.0002","15.7341","0.0002","90","","93.383","0.001","90","","1828.94","0.04","100","1","100","1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C14 H16 Br2 Cd N4 O2 -","- C14 H16 Br2 Cd N4 O2 -","- C56 H64 Br8 Cd4 N16 O8 -","4","1","","Afkhami, Farhad Akbari; Khandar, Ali Akbar; Mahmoudi, Ghodrat; Maniukiewicz, Waldemar; Lipkowski, Janusz; White, Jonathan M.; Waterman, Rory; García-Granda, Santiago; Zangrando, Ennio; Bauzá, Antonio; Frontera, Antonio","Synthesis, X-ray characterization, DFT calculations and Hirshfeld surface analysis of Zn(ii) and Cd(ii) complexes based on isonicotinoylhydrazone ligand","CrystEngComm","2016","18","24","4587","","10.1039/C6CE00877A","","","0.71073","MoKα","","0.028","0.0218","","","0.041","0.0427","","","","","","1.06","","","","has coordinates,has disorder","185225","2020-10-21","18:00:00",""
"7225009","26.559","0.0016","27.6534","0.0016","21.9738","0.0012","90","","120.836","0.001","90","","13857.2","1.4","296","2","296","2","","","","","","","","7","C 1 2/m 1","-C 2y","12","","","","- C34 H52 N51 O89 Si2 W24 Zn12.5 -","- C34 H35 N51 O89 Si2 W24 Zn12.5 -","- C136 H140 N204 O356 Si8 W96 Zn50 -","4","0.5","","Zhou, En-Long; Qin, Chao; Wang, Xin-Long; Shao, Kui-Zhan; Su, Zhong-Min","Assembly of two novel 3D organic‒inorganic hybrids based on Keggin-type polyoxometalates: syntheses, crystal structures and properties","CrystEngComm","2016","18","34","6370","","10.1039/C6CE00021E","","","0.71073","MoKα","","0.0874","0.0547","","","0.1268","0.1462","","","","","","1.013","","","","has coordinates,has disorder","186358","2020-10-21","18:00:00",""
"7225010","18.517","0.0008","15.842","0.0011","26.966","0.005","90","0.001","92.78","0.001","90","0.001","7901.1","1.6","298","2","298","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C50 H40 N10 O54 Pb2 Si W12 -","- C50 H40 N10 O54 Pb2 Si W12 -","- C200 H160 N40 O216 Pb8 Si4 W48 -","4","1","","Zhou, En-Long; Qin, Chao; Wang, Xin-Long; Shao, Kui-Zhan; Su, Zhong-Min","Assembly of two novel 3D organic‒inorganic hybrids based on Keggin-type polyoxometalates: syntheses, crystal structures and properties","CrystEngComm","2016","18","34","6370","","10.1039/C6CE00021E","","","0.71069","MoKα","","0.0508","0.032","","","0.0549","0.0599","","","","","","1.011","","","","has coordinates","186358","2020-10-21","18:00:00",""
"7225011","9.3446","0.0005","9.4052","0.0006","26.2178","0.0017","90","","92.274","0.003","90","","2302.4","0.2","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C42 H54 Cl6 N10 Pt -","- C42 H54 Cl6 N10 Pt -","- C84 H108 Cl12 N20 Pt2 -","2","0.5","","Serebryanskaya, Tatiyana V.; Novikov, Alexander S.; Gushchin, Pavel V.; Haukka, Matti; Asfin, Ruslan E.; Tolstoy, Peter M.; Kukushkin, Vadim Yu","Identification and H(D)-bond energies of C-H(D)Cl interactions in chloride-haloalkane clusters: a combined X-ray crystallographic, spectroscopic, and theoretical study.","Physical chemistry chemical physics : PCCP","2016","18","20","14104","14112","10.1039/c6cp00861e","","","0.71073","MoKα","","0.1306","0.0735","","","0.1266","0.1397","","","","","","1.16","","","","has coordinates","183790","2020-10-21","18:00:00",""
"7225012","12.9443","0.0005","13.0808","0.0005","15.1903","0.0006","109.653","0.002","113.249","0.002","92.7","0.002","2176.92","0.16","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C40 H50 Cl6 N10 Pt -","- C40 H50 Cl6 N10 Pt -","- C80 H100 Cl12 N20 Pt2 -","2","1","","Serebryanskaya, Tatiyana V.; Novikov, Alexander S.; Gushchin, Pavel V.; Haukka, Matti; Asfin, Ruslan E.; Tolstoy, Peter M.; Kukushkin, Vadim Yu","Identification and H(D)-bond energies of C-H(D)Cl interactions in chloride-haloalkane clusters: a combined X-ray crystallographic, spectroscopic, and theoretical study.","Physical chemistry chemical physics : PCCP","2016","18","20","14104","14112","10.1039/c6cp00861e","","","0.71073","MoKα","","0.1024","0.0601","","","0.1005","0.1129","","","","","","1.076","","","","has coordinates","183790","2020-10-21","18:00:00",""
"7225013","14.2649","0.0005","18.1921","0.0005","23.1012","0.0007","90","","90","","90","","5995","0.3","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C42 H50 Br12 Cl2 N10 Pt -","- C42 H50 Br12 Cl2 N10 Pt -","- C168 H200 Br48 Cl8 N40 Pt4 -","4","0.5","","Serebryanskaya, Tatiyana V.; Novikov, Alexander S.; Gushchin, Pavel V.; Haukka, Matti; Asfin, Ruslan E.; Tolstoy, Peter M.; Kukushkin, Vadim Yu","Identification and H(D)-bond energies of C-H(D)Cl interactions in chloride-haloalkane clusters: a combined X-ray crystallographic, spectroscopic, and theoretical study.","Physical chemistry chemical physics : PCCP","2016","18","20","14104","14112","10.1039/c6cp00861e","","","0.71073","MoKα","","0.0929","0.0587","","","0.114","0.1291","","","","","","1.115","","","","has coordinates,has disorder","183790","2020-10-21","18:00:00",""
"7225014","13.1946","0.0002","17.8886","0.0002","23.6588","0.0003","90","","90","","90","","5584.26","0.13","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C42 H46 Cl14 D2 N10 Pt -","- C42 H50 Cl14 N10 Pt -","- C168 H200 Cl56 N40 Pt4 -","4","0.5","","Serebryanskaya, Tatiyana V.; Novikov, Alexander S.; Gushchin, Pavel V.; Haukka, Matti; Asfin, Ruslan E.; Tolstoy, Peter M.; Kukushkin, Vadim Yu","Identification and H(D)-bond energies of C-H(D)Cl interactions in chloride-haloalkane clusters: a combined X-ray crystallographic, spectroscopic, and theoretical study.","Physical chemistry chemical physics : PCCP","2016","18","20","14104","14112","10.1039/c6cp00861e","","","0.71073","MoKα","","0.057","0.0288","","","0.0545","0.0626","","","","","","1.024","","","","has coordinates","183790","2020-10-21","18:00:00",""
"7225015","17.028","0.004","16.746","0.004","17.575","0.004","90","","113.781","0.003","90","","4586","1.9","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C48 H65 Co N3 O4 -","- C48 H65 Co N3 O4 -","- C192 H260 Co4 N12 O16 -","4","1","","Ghosh, Pritam; Banerjee, Priyabrata","How paramagnetic and diamagnetic LMOCs detect picric acid from surface water and the intracellular environment: a combined experimental and DFT-D3 study.","Physical chemistry chemical physics : PCCP","2016","18","33","22805","22815","10.1039/c6cp01620k","","","0.71073","MoKα","","0.0735","0.0412","","","0.0842","0.0969","","","","","","1.014","","","","has coordinates","186491","2020-10-21","18:00:00",""
"7225016","7.9146","0.0016","10.34","0.002","11.03","0.002","89.02","0.03","80.45","0.03","82.36","0.03","882.2","0.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","DFTCNQ-DPTTA","","- C46 H24 F2 N4 S4 -","- C46 H24 F2 N4 S4 -","- C46 H24 F2 N4 S4 -","1","0.5","","Qin, Yunke; Cheng, Changli; Geng, Hua; Wang, Chao; Hu, Wenping; Xu, Wei; Shuai, Zhigang; Zhu, Daoben","Efficient ambipolar transport properties in alternate stacking donor-acceptor complexes: from experiment to theory.","Physical chemistry chemical physics : PCCP","2016","18","20","14094","14103","10.1039/c6cp01509c","","","0.71073","MoKα","","0.0691","0.0546","","","0.1251","0.135","","","","","","1.088","","","","has coordinates,has disorder","183791","2020-10-21","18:00:00",""
"7225017","7.7712","0.0016","11.266","0.002","11.337","0.002","74.094","0.008","78.856","0.009","80.05","0.009","929","0.3","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","SNTCNQ-DPTTA","","- C46 H24 N6 S5 -","- C46 H24 N6 S5 -","- C46 H24 N6 S5 -","1","0.5","","Qin, Yunke; Cheng, Changli; Geng, Hua; Wang, Chao; Hu, Wenping; Xu, Wei; Shuai, Zhigang; Zhu, Daoben","Efficient ambipolar transport properties in alternate stacking donor-acceptor complexes: from experiment to theory.","Physical chemistry chemical physics : PCCP","2016","18","20","14094","14103","10.1039/c6cp01509c","","","0.71073","MoKα","","0.052","0.0489","","","0.1133","0.1154","","","","","","1.111","","","","has coordinates,has disorder","183791","2020-10-21","18:00:00",""
"7225018","7.9463","0.0016","10.099","0.002","11.251","0.002","88.15","0.03","81.09","0.03","82.6","0.03","884.5","0.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","TFTCNQ-DPTTA","","- C46 H22 F4 N4 S4 -","- C46 H22 F4 N4 S4 -","- C46 H22 F4 N4 S4 -","1","0.5","","Qin, Yunke; Cheng, Changli; Geng, Hua; Wang, Chao; Hu, Wenping; Xu, Wei; Shuai, Zhigang; Zhu, Daoben","Efficient ambipolar transport properties in alternate stacking donor-acceptor complexes: from experiment to theory.","Physical chemistry chemical physics : PCCP","2016","18","20","14094","14103","10.1039/c6cp01509c","","","0.71073","MoKα","","0.0967","0.0821","","","0.199","0.2124","","","","","","1.135","","","","has coordinates","183791","2020-10-21","18:00:00",""
"7225019","12.1246","0.0004","12.2087","0.0005","12.4991","0.0004","90","","91.394","0.003","90","","1849.64","0.11","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C6 H8 Mg N2 O6 -","- C6 H8 Mg N2 O6 -","- C48 H64 Mg8 N16 O48 -","8","2","","Mączka, Mirosław; Marinho Costa, Nathalia Leal; Gągor, Anna; Paraguassu, Waldeci; Sieradzki, Adam; Hanuza, Jerzy","Structural, thermal, dielectric and phonon properties of perovskite-like imidazolium magnesium formate.","Physical chemistry chemical physics : PCCP","2016","18","20","13993","14000","10.1039/c6cp01353h","","x-ray","0.71073","MoKα","","0.0865","0.0458","","","0.0966","0.1142","","","","","","1.025","","","","has coordinates","183792","2020-10-21","18:00:00",""
"7225020","14.4641","0.0007","11.5385","0.0005","20.0151","0.0008","90","","109.778","0.004","90","","3143.4","0.3","295","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C23 H35 Cl4 Co N9 Zn -","- C23 H35 Cl4 Co N9 Zn -","- C92 H140 Cl16 Co4 N36 Zn4 -","4","1","","Adach, Anna; Daszkiewicz, Marek; Tyszka-Czochara, Małgorzata","A family of complexes with N scorpionate- type and other N-donor ligands obtained in situ from pyrazole derivative and zerovalent cobalt. Physicochemical and cytotoxicity studies.","RSC Adv.","2016","","","","","10.1039/C6RA06439F","","","0.71073","MoKα","","0.066","0.0405","","","0.1068","0.1193","","","","","","1.091","","","","has coordinates","182377","2020-10-21","18:00:00",""
"7225021","8.7475","0.0003","26.5384","0.0011","18.0526","0.0008","90","","93.994","0.004","90","","4180.6","0.3","295","2","295","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C29 H47 Br6 Co N13 Zn2 -","- C29 H47 Br6 Co N13 Zn2 -","- C116 H188 Br24 Co4 N52 Zn8 -","4","1","","Adach, Anna; Daszkiewicz, Marek; Tyszka-Czochara, Małgorzata","A family of complexes with N scorpionate- type and other N-donor ligands obtained in situ from pyrazole derivative and zerovalent cobalt. Physicochemical and cytotoxicity studies.","RSC Adv.","2016","","","","","10.1039/C6RA06439F","","","0.71073","MoKα","","0.1105","0.0664","","","0.192","0.2102","","","","","","0.939","","","","has coordinates","182377","2020-10-21","18:00:00",""
"7225022","13.9778","0.0004","12.0741","0.0003","20.2696","0.0006","90","","110.222","0.003","90","","3210.03","0.17","295","2","295","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C23 H35 Br3 Cl Co N9 Zn -","- C23 H35 Br3 Cl Co N9 Zn -","- C92 H140 Br12 Cl4 Co4 N36 Zn4 -","4","1","","Adach, Anna; Daszkiewicz, Marek; Tyszka-Czochara, Małgorzata","A family of complexes with N scorpionate- type and other N-donor ligands obtained in situ from pyrazole derivative and zerovalent cobalt. Physicochemical and cytotoxicity studies.","RSC Adv.","2016","","","","","10.1039/C6RA06439F","","","0.71073","MoKα","","0.1181","0.076","","","0.2361","0.2777","","","","","","1.029","","","","has coordinates","182377","2020-10-21","18:00:00",""
"7225023","11.044","0.003","11.653","0.003","13.855","0.004","65.562","0.006","75.046","0.007","87.93","0.007","1563.3","0.7","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C37 H30 Cl N3 O4 -","- C37 H30 Cl N3 O4 -","- C74 H60 Cl2 N6 O8 -","2","1","","Jiang, Yan-Hong; Yan, Chao Guo","Indium chloride catalyzed three-component reaction for synthesis of 2-((oxoindolin-3-yl)-4,5,6,7-tetrahydro-1H-indol-1-yl)benzamides","RSC Adv.","2016","","","","","10.1039/C6RA08811B","","","0.71073","MoKα","","0.2478","0.1046","","","0.261","0.3222","","","","","","0.951","","","","has coordinates,has disorder","182378","2020-10-21","18:00:00",""
"7225024","32.879","0.004","11.2887","0.0013","22.666","0.003","90","","127.793","0.003","90","","6648","1.4","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C39 H34 Cl N3 O3 -","- C39 H34 Cl N3 O3 -","- C312 H272 Cl8 N24 O24 -","8","1","","Jiang, Yan-Hong; Yan, Chao Guo","Indium chloride catalyzed three-component reaction for synthesis of 2-((oxoindolin-3-yl)-4,5,6,7-tetrahydro-1H-indol-1-yl)benzamides","RSC Adv.","2016","","","","","10.1039/C6RA08811B","","","0.71073","MoKα","","0.1517","0.0799","","","0.2093","0.2574","","","","","","1.043","","","","has coordinates","182378","2020-10-21","18:00:00",""
"7225025","11.0558","0.0008","11.4753","0.0008","13.2262","0.0009","113.324","0.002","103.927","0.002","94.49","0.002","1466.93","0.18","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C34 H32 F N3 O5 -","- C34 H32 F N3 O5 -","- C68 H64 F2 N6 O10 -","2","1","","Jiang, Yan-Hong; Yan, Chao Guo","Indium chloride catalyzed three-component reaction for synthesis of 2-((oxoindolin-3-yl)-4,5,6,7-tetrahydro-1H-indol-1-yl)benzamides","RSC Adv.","2016","","","","","10.1039/C6RA08811B","","","0.71073","MoKα","","0.1361","0.0714","","","0.1608","0.1882","","","","","","1.032","","","","has coordinates","182378","2020-10-21","18:00:00",""
"7225026","11.589","0.003","12.379","0.003","13.886","0.004","113.673","0.007","103.852","0.007","101.755","0.007","1667.6","0.8","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C38 H33 Cl N4 O4 -","- C38 H33 Cl N4 O4 -","- C76 H66 Cl2 N8 O8 -","2","1","","Jiang, Yan-Hong; Yan, Chao Guo","Indium chloride catalyzed three-component reaction for synthesis of 2-((oxoindolin-3-yl)-4,5,6,7-tetrahydro-1H-indol-1-yl)benzamides","RSC Adv.","2016","","","","","10.1039/C6RA08811B","","","0.71073","MoKα","","0.1643","0.0811","","","0.2145","0.2604","","","","","","1.037","","","","has coordinates","182378","2020-10-21","18:00:00",""
"7225027","12.499","0.003","14.522","0.003","14.653","0.003","92.88","0.03","101.13","0.03","109.11","0.03","2447.3","1.1","153","2","153","2","","","","","","","","6","P -1","-P 1","2","","","","- C120 H92 Cl4 N14 O2 Rh2 -","- C120 H92 Cl4 N14 O2 Rh2 -","- C120 H92 Cl4 N14 O2 Rh2 -","1","0.5","","Xue, Zhaoli; Wang, Yemei; Mack, John; Mkhize, Scebi; Nyokong, Tebello; Fang, Yuanyuan; Ou, Zhongping; Kadish, Karl M.","Synthesis, characterization and electrochemistry of rhodium(iii) complexes of meso-substituted [14]tribenzotriphyrin(2.1.1)","RSC Adv.","2016","6","48","41919","","10.1039/C6RA03028A","","","0.71073","MoKα","","0.129","0.087","","","0.1406","0.1598","","","","","","1.116","","","","has coordinates","182379","2020-10-21","18:00:00",""
"7225028","7.1114","0.0002","14.9091","0.0004","20.5365","0.0006","90","","90","","90","","2177.37","0.11","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C11 H11 N3 O S -","- C11 H11 N3 O S -","- C88 H88 N24 O8 S8 -","8","1","","Sukhikh, Taisiya Sergeevna; Bashirov, Denis Aleksandrovich; Ogienko, Darya; Kuratieva, Natalia; Sherin, Peter Sergeevich; Rakhmanova, Marianna I.; Chulanova, Elena Aleksandrovna; Gritsan, Nina Pavlovna; Konchenko, Sergey Nikolaevich; Zibarev, Andrey Viktorovich","Novel luminescent β-ketoimine derivative of 2,1,3-benzothiadiazole: synthesis, complexation with Zn(II) and photophysical properties in comparison with related compounds","RSC Adv.","2016","","","","","10.1039/C6RA06547C","","x-ray","0.71073","MoKα","","0.0567","0.04","","","0.1047","0.112","","","","","","1.054","","","","has coordinates","182380","2020-10-21","18:00:00",""
"7225029","14.9956","0.0004","10.8026","0.0003","13.3402","0.0003","90","","91.279","0.001","90","","2160.46","0.1","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C11 H11 N3 O S -","- C11 H11 N3 O S -","- C88 H88 N24 O8 S8 -","8","2","","Sukhikh, Taisiya Sergeevna; Bashirov, Denis Aleksandrovich; Ogienko, Darya; Kuratieva, Natalia; Sherin, Peter Sergeevich; Rakhmanova, Marianna I.; Chulanova, Elena Aleksandrovna; Gritsan, Nina Pavlovna; Konchenko, Sergey Nikolaevich; Zibarev, Andrey Viktorovich","Novel luminescent β-ketoimine derivative of 2,1,3-benzothiadiazole: synthesis, complexation with Zn(II) and photophysical properties in comparison with related compounds","RSC Adv.","2016","","","","","10.1039/C6RA06547C","","x-ray","0.71073","MoKα","","0.0516","0.037","","","0.0956","0.1009","","","","","","1.053","","","","has coordinates","182380","2020-10-21","18:00:00",""
"7225030","7.3121","0.0007","22.517","0.002","13.9416","0.0012","90","","93.916","0.003","90","","2290.1","0.4","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C22 H20 N6 O2 S2 Zn -","- C22 H20 N6 O2 S2 Zn -","- C88 H80 N24 O8 S8 Zn4 -","4","0.5","","Sukhikh, Taisiya Sergeevna; Bashirov, Denis Aleksandrovich; Ogienko, Darya; Kuratieva, Natalia; Sherin, Peter Sergeevich; Rakhmanova, Marianna I.; Chulanova, Elena Aleksandrovna; Gritsan, Nina Pavlovna; Konchenko, Sergey Nikolaevich; Zibarev, Andrey Viktorovich","Novel luminescent β-ketoimine derivative of 2,1,3-benzothiadiazole: synthesis, complexation with Zn(II) and photophysical properties in comparison with related compounds","RSC Adv.","2016","","","","","10.1039/C6RA06547C","","x-ray","0.71073","MoKα","","0.0512","0.0401","","","0.0977","0.1017","","","","","","1.092","","","","has coordinates","182380","2020-10-21","18:00:00",""
"7225031","9.0977","0.0004","11.2713","0.0005","11.4682","0.0005","118.856","0.0011","92.172","0.0013","91.338","0.0012","1028.06","0.08","100","2","100","","","","","","","","","4","P -1","-P 1","2","","","","- C27 H21 N3 O2 -","- C27 H21 N3 O2 -","- C54 H42 N6 O4 -","2","1","","Maloo, Preeti; Roy, Tapta Kanchan; Sawant, Devesh M.; Pardasani, Ram T.; Salunkhe, Manikrao M.","A catalyst-free, one-pot multicomponent synthesis of spiro-benzimidazoquinazolinones via a Knoevenagel‒Michael-imine pathway: a microwave assisted approach","RSC Adv.","2016","6","48","41897","","10.1039/C6RA05322J","","","0.71073","MoKα","","0.0508","0.04","","","0.0955","0.1012","","","","","","1.055","","","","has coordinates","182381","2020-10-21","18:00:00",""
"7225032","9.2047","0.0004","14.1206","0.0007","16.658","0.0008","75.9437","0.0014","74.4957","0.0014","87.8667","0.0015","2022.99","0.17","100","2","100","","","","","","","","","4","P -1","-P 1","2","","","","- C23 H20 N4 O2 -","- C23 H20 N4 O2 -","- C92 H80 N16 O8 -","4","2","","Maloo, Preeti; Roy, Tapta Kanchan; Sawant, Devesh M.; Pardasani, Ram T.; Salunkhe, Manikrao M.","A catalyst-free, one-pot multicomponent synthesis of spiro-benzimidazoquinazolinones via a Knoevenagel‒Michael-imine pathway: a microwave assisted approach","RSC Adv.","2016","6","48","41897","","10.1039/C6RA05322J","","","0.71073","MoKα","","0.1303","0.066","","","0.1478","0.1647","","","","","","0.967","","","","has coordinates","182382","2020-10-21","18:00:00",""
"7225033","5.8732","0.0003","8.224","0.0004","33.7553","0.0017","90","","94.151","0.003","90","","1626.14","0.14","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C16 H13 F3 O4 S -","- C16 H13 F3 O4 S -","- C64 H52 F12 O16 S4 -","4","1","","Saikia, Anil; Ghosh, Priya; Kautarya, Ashutosh Kumar","Synthesis of 4-trifluoromethanesulfonate substituted 3,6-dihydropyrans and their application in various C-C coupling reactions","RSC Adv.","2016","","","","","10.1039/C6RA02343F","","","0.71073","MoKα","","0.2197","0.1452","","","0.2008","0.2402","","","","","","1.041","","","","has coordinates","182383","2020-10-21","18:00:00",""
"7225034","14.1442","0.0011","14.91","0.0011","16.0774","0.0013","117.151","0.008","92.303","0.006","91.772","0.006","3009.9","0.5","140","0.1","140","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C35 H96 N8 O27 V8 -","- C35 H96 N8 O27 V8 -","- C70 H192 N16 O54 V16 -","2","1","","Tang, Jie; Yao, Peng-Fei; Xu, Xiao-Ling; Li, Hai-Ye; Huang, Fu-Ping; Nie, Qing-Qing; Luo, Mei-Yi; Yu, Qing; Bian, He-Dong","Asymmetric Catalytic Sulfoxidation by a Novel VIV8 Cluster Catalyst in the Presence of Serum Albumin: A Simple and Green Oxidation System","RSC Adv.","2016","","","","","10.1039/C6RA08153C","","x-ray","0.71073","MoKα","","0.0753","0.0604","","","0.1446","0.1568","","","","","","1.046","","","","has coordinates","182399","2020-10-21","18:00:00",""
"7225035","12.3508","0.0003","12.2285","0.0003","17.9527","0.0003","90","","94.4756","0.0018","90","","2703.16","0.1","102.5","","102.5","","","","","","","","Paraconiothyrium sporulosum YK-03","4","P 1 21 1","P 2yb","4","","Sporulosines A (1) and B (2)","","- C15 H21 N O2 -","- C15 H21 N O2 -","- C120 H168 N8 O16 -","8","4","","Zhang, Li-Hua; Feng, Bao-Min; Chen, Gang; Li, Sheng-Ge; Sun, Yi; Wu, Hong-Hua; Bai, Jiao; Hua, Hui-Ming; Wang, Hai-Feng; Pei, Yue-Hu","Sporulaminals A and B: a pair of unusual epimeric spiroaminal derivatives from a marine-derived fungus Paraconiothyrium sporulosum YK-03","RSC Adv.","2016","6","48","42361","","10.1039/C6RA01401A","","","1.5418","CuKα","","0.0485","0.0444","","","0.1116","0.1153","","","","","","1.03","","","","has coordinates","182400","2020-10-21","18:00:00",""
"7225036","8.9724","0.0011","15.5705","0.0016","17.2632","0.0017","86.822","0.008","86.077","0.009","74.23","0.01","2313.8","0.4","140","0.3","140","0.3","","","","","","","","5","P -1","-P 1","2","","(pentafluorophenyl){3,5-bis(trifluoromethyl)phenyl}(pentachlorophenyl)borane","","- C20 H3 B Cl5 F11 -","- C20 H3 B Cl5 F11 -","- C80 H12 B4 Cl20 F44 -","4","2","","Blagg, Robin J.; Wildgoose, Gregory G.","H2activation using the first 1 : 1 : 1 hetero-tri(aryl)borane","RSC Adv.","2016","6","48","42421","","10.1039/C6RA07007H","","x-ray","0.71073","MoKα","","0.3359","0.0982","","","0.0919","0.1515","","","","","","0.95","","","","has coordinates,has disorder","182401","2020-10-21","18:00:00",""
"7225037","16.077","0.007","16.201","0.007","18.74","0.008","70.68","0.04","84.13","0.04","68.67","0.03","4290","3","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C79.6 H88.8 Cl0.5 Gd Mn3 N5.5 O22.7 S -","- C79.6 H87.6 Cl0.5 Gd Mn3 N5.5 O22.7 S -","- C159.2 H175.2 Cl Gd2 Mn6 N11 O45.4 S2 -","2","1","","Tziotzi, Thomais G.; Siczek, Milosz; Lis, Tadeusz; Inglis, Ross; Milios, Constantinos J.","Two unique star-like [MnIVMnIII2LnIII] clusters: magnetic relaxation phenomena","RSC Adv.","2016","","","","","10.1039/C6RA09066D","","","0.71073","MoKα","","0.1053","0.0639","","","0.1708","0.2008","","","","","","1.073","","","","has coordinates,has disorder","182402","2020-10-21","18:00:00",""
"7225038","13.883","0.003","5.6927","0.0011","13.226","0.003","90","","90.43","0.03","90","","1045.2","0.4","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2-tellura-1,3-dithiaferrocenophane","","- C10 H8 Fe S2 Te -","- C10 H8 Fe S2 Te -","- C40 H32 Fe4 S8 Te4 -","4","1","","Karjalainen, Minna M.; Sanchez-Perez, Clara; Rautiainen, J. Mikko; Oilunkaniemi, Raija; Laitinen, Risto S.","Chalcogen‒chalcogen secondary bonding interactions in trichalcogenaferrocenophanes","CrystEngComm","2016","18","24","4538","","10.1039/C6CE00451B","","","0.71073","MoKα","","0.0319","0.0281","","","0.0759","0.0793","","","","","","1.041","","","","has coordinates","185215","2020-10-21","18:00:00",""
"7225039","11.705","0.002","9.7452","0.0019","9.1003","0.0018","90","","90","","90","","1038","0.3","120","2","120","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","1,3-diselena-2-thia-ferrocenophane","","- C10 H8 Fe S Se2 -","- C10 H8 Fe S Se2 -","- C40 H32 Fe4 S4 Se8 -","4","1","","Karjalainen, Minna M.; Sanchez-Perez, Clara; Rautiainen, J. Mikko; Oilunkaniemi, Raija; Laitinen, Risto S.","Chalcogen‒chalcogen secondary bonding interactions in trichalcogenaferrocenophanes","CrystEngComm","2016","18","24","4538","","10.1039/C6CE00451B","","","0.71073","MoKα","","0.0457","0.0386","","","0.0882","0.0928","","","","","","1.072","","","","has coordinates","185215","2020-10-21","18:00:00",""
"7225040","14.174","0.003","5.798","0.0012","13.574","0.003","90","","90.19","0.03","90","","1115.5","0.4","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","1,3-diselena-2-telluraferrocenophane","","- C10 H8 Fe Se2 Te -","- C10 H8 Fe Se2 Te -","- C40 H32 Fe4 Se8 Te4 -","4","1","","Karjalainen, Minna M.; Sanchez-Perez, Clara; Rautiainen, J. Mikko; Oilunkaniemi, Raija; Laitinen, Risto S.","Chalcogen‒chalcogen secondary bonding interactions in trichalcogenaferrocenophanes","CrystEngComm","2016","18","24","4538","","10.1039/C6CE00451B","","","0.71073","MoKα","","0.0721","0.0483","","","0.1023","0.1166","","","","","","1.095","","","","has coordinates","185215","2020-10-21","18:00:00",""
"7225041","13.514","0.003","10.494","0.002","16.226","0.003","90","","90","","90","","2301.1","0.8","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","1,3-ditellura-2-thiaferrocenophane","","- C10 H8 Fe S Te2 -","- C10 H8 Fe S Te2 -","- C80 H64 Fe8 S8 Te16 -","8","1","","Karjalainen, Minna M.; Sanchez-Perez, Clara; Rautiainen, J. Mikko; Oilunkaniemi, Raija; Laitinen, Risto S.","Chalcogen‒chalcogen secondary bonding interactions in trichalcogenaferrocenophanes","CrystEngComm","2016","18","24","4538","","10.1039/C6CE00451B","","","0.71073","MoKα","","0.1264","0.0683","","","0.0819","0.0933","","","","","","1.168","","","","has coordinates","185215","2020-10-21","18:00:00",""
"7225042","11.8549","0.0013","16.4789","0.0018","17.32","0.0019","90","","101.091","0.002","90","","3320.4","0.6","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","L-tyrosiniumpolyiodide hydrate","compound 1","","- C18 H25 I8 N2 O6.5 -","- C18 H25 I8 N2 O6.5 -","- C72 H100 I32 N8 O26 -","4","2","","Lamberts, Kevin; Handels, Philipp; Englert, Ulli; Aubert, Emmanuel; Espinosa, Enrique","Stabilization of polyiodide chains via anion⋯anion interactions: experiment and theory","CrystEngComm","2016","18","21","3832","","10.1039/C6CE00396F","","","0.71073","MoKα","","0.0555","0.0494","","","0.1241","0.1301","","","","","","1.051","","","","has coordinates","194155","2020-10-21","18:00:00",""
"7225043","9.4953","0.0004","7.4545","0.0004","23.2683","0.001","90","","92.551","0.004","90","","1645.36","0.13","190","","190","","","","100","","","","","5","P 1 21/c 1","-P 2ybc","14","","agomelatine hemitriiodide","","- C15 H17.5 I1.5 N O2 -","- C15 H17.5 I1.5 N O2 -","- C60 H70 I6 N4 O8 -","4","1","","Skořepová, Eliška; Hušák, Michal; Ridvan, Luděk; Tkadlecová, Marcela; Havlíček, Jaroslav; Dušek, Michal","Iodine salts of the pharmaceutical compound agomelatine: the effect of the symmetric H-bond on amide protonation","CrystEngComm","2016","18","24","4518","","10.1039/C6CE00304D","","","1.5418","CuKα","","0.048","0.045","","0.1345","0.1296","0.1345","","","","","","0.9861","","","","has coordinates","185217","2020-10-21","18:00:00",""
"7225044","13.5939","0.0011","7.2782","0.0005","19.7522","0.0016","90","","109.567","0.009","90","","1841.4","0.3","301","","301","","","","100","","","","","5","P 1 21/c 1","-P 2ybc","14","","agomelatine hydriodide trihydrate","","- C15 H24 I N O5 -","- C15 H24 I N O5 -","- C60 H96 I4 N4 O20 -","4","1","","Skořepová, Eliška; Hušák, Michal; Ridvan, Luděk; Tkadlecová, Marcela; Havlíček, Jaroslav; Dušek, Michal","Iodine salts of the pharmaceutical compound agomelatine: the effect of the symmetric H-bond on amide protonation","CrystEngComm","2016","18","24","4518","","10.1039/C6CE00304D","","","0.71073","MoKα","","0.0793","0.0565","","0.1356","0.1201","0.1356","","","","","","0.9748","","","","has coordinates","185217","2020-10-21","18:00:00",""
"7225045","13.1828","0.0004","14.6064","0.0005","18.7024","0.0012","89.99","0.004","75.962","0.004","73.901","0.003","3347.9","0.3","100.01","0.1","100.01","","","","","","","","","5","P -1","-P 1","2","agomelatine iodine ‒ triiodide","agomelatine hemitriiodide iodine","","- C60 H68 I8 N4 O8 -","- C60 H70 I8 N4 O8 -","- C120 H140 I16 N8 O16 -","2","1","","Skořepová, Eliška; Hušák, Michal; Ridvan, Luděk; Tkadlecová, Marcela; Havlíček, Jaroslav; Dušek, Michal","Iodine salts of the pharmaceutical compound agomelatine: the effect of the symmetric H-bond on amide protonation","CrystEngComm","2016","18","24","4518","","10.1039/C6CE00304D","","x-ray","0.71073","MoKα","","0.0229","0.0181","","","0.0443","0.0467","","","","1.17","1.17","1.15","","","","has coordinates","185217","2020-10-21","18:00:00",""
"7225046","13.6238","0.001","14.4019","0.001","16.3902","0.0012","78.797","0.001","77.346","0.001","65.537","0.001","2836.6","0.4","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C132 H84 N18 Nd2 O17 -","- C132 H84 N18 Nd2 O17 -","- C132 H84 N18 Nd2 O17 -","1","0.5","","Xu, Bing; Cheng, Yue; Hu, Huai-Ming; Bai, Chao; Wang, Xiaofang; Yang, Meng-Lin; Xue, Ganglin","Syntheses, crystal structures and luminescence properties of lanthanide-based coordination polymers constructed from a functionalized terpyridyl carboxylate ligand","CrystEngComm","2016","18","24","4613","","10.1039/C6CE00681G","","","0.71073","MoKα","","0.0589","0.0478","","","0.1271","0.1378","","","","","","0.951","","","","has coordinates","185218","2020-10-21","18:00:00",""
"7225047","13.6332","0.0018","14.3983","0.0019","16.347","0.002","78.969","0.003","77.335","0.003","65.518","0.002","2831","0.6","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C132 H84 N18 O17 Sm2 -","- C132 H84 N18 O17 Sm2 -","- C132 H84 N18 O17 Sm2 -","1","0.5","","Xu, Bing; Cheng, Yue; Hu, Huai-Ming; Bai, Chao; Wang, Xiaofang; Yang, Meng-Lin; Xue, Ganglin","Syntheses, crystal structures and luminescence properties of lanthanide-based coordination polymers constructed from a functionalized terpyridyl carboxylate ligand","CrystEngComm","2016","18","24","4613","","10.1039/C6CE00681G","","","0.71073","MoKα","","0.1106","0.0699","","","0.1269","0.1495","","","","","","0.967","","","","has coordinates","185218","2020-10-21","18:00:00",""
"7225048","13.659","0.003","14.392","0.003","16.317","0.003","78.947","0.003","77.37","0.004","65.555","0.004","2830.8","1","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C132 H84 Eu2 N18 O17 -","- C132 H84 Eu2 N18 O17 -","- C132 H84 Eu2 N18 O17 -","1","0.5","","Xu, Bing; Cheng, Yue; Hu, Huai-Ming; Bai, Chao; Wang, Xiaofang; Yang, Meng-Lin; Xue, Ganglin","Syntheses, crystal structures and luminescence properties of lanthanide-based coordination polymers constructed from a functionalized terpyridyl carboxylate ligand","CrystEngComm","2016","18","24","4613","","10.1039/C6CE00681G","","","0.71073","MoKα","","0.1129","0.0898","","","0.1854","0.2028","","","","","","1.083","","","","has coordinates","185218","2020-10-21","18:00:00",""
"7225049","13.616","0.003","14.396","0.003","16.304","0.003","78.978","0.004","77.352","0.004","65.513","0.003","2819.6","1","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C132 H88 Gd2 N18 O17 -","- C132 H88 Gd2 N18 O17 -","- C132 H88 Gd2 N18 O17 -","1","0.5","","Xu, Bing; Cheng, Yue; Hu, Huai-Ming; Bai, Chao; Wang, Xiaofang; Yang, Meng-Lin; Xue, Ganglin","Syntheses, crystal structures and luminescence properties of lanthanide-based coordination polymers constructed from a functionalized terpyridyl carboxylate ligand","CrystEngComm","2016","18","24","4613","","10.1039/C6CE00681G","","","0.71073","MoKα","","0.1096","0.0599","","","0.0935","0.112","","","","","","0.937","","","","has coordinates","185218","2020-10-21","18:00:00",""
"7225050","13.6431","0.0017","14.3607","0.0019","16.245","0.002","79.042","0.002","77.557","0.002","65.639","0.002","2812.9","0.6","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C132 H88 N18 O17 Tb2 -","- C132 H88 N18 O17 Tb2 -","- C132 H88 N18 O17 Tb2 -","1","0.5","","Xu, Bing; Cheng, Yue; Hu, Huai-Ming; Bai, Chao; Wang, Xiaofang; Yang, Meng-Lin; Xue, Ganglin","Syntheses, crystal structures and luminescence properties of lanthanide-based coordination polymers constructed from a functionalized terpyridyl carboxylate ligand","CrystEngComm","2016","18","24","4613","","10.1039/C6CE00681G","","","0.71073","MoKα","","0.0535","0.0416","","","0.0935","0.1013","","","","","","1.027","","","","has coordinates","185218","2020-10-21","18:00:00",""
"7225051","13.6739","0.0008","14.3581","0.0008","16.2252","0.0009","79.064","0.001","77.579","0.001","65.711","0.001","2817.2","0.3","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C132 H84 Dy2 N18 O17 -","- C132 H84 Dy2 N18 O17 -","- C132 H84 Dy2 N18 O17 -","1","0.5","","Xu, Bing; Cheng, Yue; Hu, Huai-Ming; Bai, Chao; Wang, Xiaofang; Yang, Meng-Lin; Xue, Ganglin","Syntheses, crystal structures and luminescence properties of lanthanide-based coordination polymers constructed from a functionalized terpyridyl carboxylate ligand","CrystEngComm","2016","18","24","4613","","10.1039/C6CE00681G","","","0.71073","MoKα","","0.0524","0.0417","","","0.105","0.1155","","","","","","1.037","","","","has coordinates","185218","2020-10-21","18:00:00",""
"7225052","13.6709","0.0018","14.3413","0.0018","16.202","0.002","79.129","0.002","77.703","0.002","65.706","0.002","2810.6","0.6","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C132 H88 Ho2 N18 O17 -","- C132 H88 Ho2 N18 O17 -","- C132 H88 Ho2 N18 O17 -","1","0.5","","Xu, Bing; Cheng, Yue; Hu, Huai-Ming; Bai, Chao; Wang, Xiaofang; Yang, Meng-Lin; Xue, Ganglin","Syntheses, crystal structures and luminescence properties of lanthanide-based coordination polymers constructed from a functionalized terpyridyl carboxylate ligand","CrystEngComm","2016","18","24","4613","","10.1039/C6CE00681G","","","0.71073","MoKα","","0.0706","0.0506","","","0.11","0.1213","","","","","","1.003","","","","has coordinates","185218","2020-10-21","18:00:00",""
"7225053","13.6968","0.0015","14.3565","0.0017","16.2082","0.0017","79.075","0.002","77.696","0.002","65.666","0.002","2818.7","0.5","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C132 H88 Er2 N18 O17 -","- C132 H88 Er2 N18 O17 -","- C132 H88 Er2 N18 O17 -","1","0.5","","Xu, Bing; Cheng, Yue; Hu, Huai-Ming; Bai, Chao; Wang, Xiaofang; Yang, Meng-Lin; Xue, Ganglin","Syntheses, crystal structures and luminescence properties of lanthanide-based coordination polymers constructed from a functionalized terpyridyl carboxylate ligand","CrystEngComm","2016","18","24","4613","","10.1039/C6CE00681G","","","0.71073","MoKα","","0.0704","0.0492","","","0.1063","0.1222","","","","","","1.051","","","","has coordinates","185218","2020-10-21","18:00:00",""
"7225054","13.6997","0.0017","14.3367","0.0018","16.203","0.002","79.004","0.002","77.826","0.002","65.631","0.002","2814.4","0.6","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C132 H88 N18 O17 Yb2 -","- C132 H88 N18 O17 Yb2 -","- C132 H88 N18 O17 Yb2 -","1","0.5","","Xu, Bing; Cheng, Yue; Hu, Huai-Ming; Bai, Chao; Wang, Xiaofang; Yang, Meng-Lin; Xue, Ganglin","Syntheses, crystal structures and luminescence properties of lanthanide-based coordination polymers constructed from a functionalized terpyridyl carboxylate ligand","CrystEngComm","2016","18","24","4613","","10.1039/C6CE00681G","","","0.71073","MoKα","","0.0539","0.0412","","","0.0893","0.0948","","","","","","0.98","","","","has coordinates","185218","2020-10-21","18:00:00",""
"7225055","8.3992","0.0007","9.6188","0.0008","17.1946","0.0014","80.489","0.001","81.363","0.001","80.311","0.001","1339.78","0.19","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C48 H36 N6 O25 Pr2 -","- C48 H36 N6 O25 Pr2 -","- C48 H36 N6 O25 Pr2 -","1","0.5","","Xu, Bing; Cheng, Yue; Hu, Huai-Ming; Bai, Chao; Wang, Xiaofang; Yang, Meng-Lin; Xue, Ganglin","Syntheses, crystal structures and luminescence properties of lanthanide-based coordination polymers constructed from a functionalized terpyridyl carboxylate ligand","CrystEngComm","2016","18","24","4613","","10.1039/C6CE00681G","","","0.71073","MoKα","","0.032","0.0291","","","0.0684","0.0698","","","","","","1.059","","","","has coordinates","185218","2020-10-21","18:00:00",""
"7225056","7.8172","0.0008","10.1764","0.001","16.325","0.0017","82.035","0.001","86.015","0.001","69.337","0.001","1203.1","0.2","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C54 H44 N6 O14 Pr2 -","- C54 H44 N6 O14 Pr2 -","- C54 H44 N6 O14 Pr2 -","1","0.5","","Xu, Bing; Cheng, Yue; Hu, Huai-Ming; Bai, Chao; Wang, Xiaofang; Yang, Meng-Lin; Xue, Ganglin","Syntheses, crystal structures and luminescence properties of lanthanide-based coordination polymers constructed from a functionalized terpyridyl carboxylate ligand","CrystEngComm","2016","18","24","4613","","10.1039/C6CE00681G","","","0.71073","MoKα","","0.0355","0.0348","","","0.0936","0.0943","","","","","","1.089","","","","has coordinates","185218","2020-10-21","18:00:00",""
"7225057","8.2486","0.0003","8.2486","0.0003","65.782","0.004","90","","90","","90","","4475.8","0.4","296","2","296","2","","","","","","","","5","P 43 21 2","P 4nw 2abw","96","","","","- C108 H80 Er4 N12 O24 -","- C108 H80 Er4 N12 O24 -","- C216 H160 Er8 N24 O48 -","2","0.25","","Xu, Bing; Cheng, Yue; Hu, Huai-Ming; Bai, Chao; Wang, Xiaofang; Yang, Meng-Lin; Xue, Ganglin","Syntheses, crystal structures and luminescence properties of lanthanide-based coordination polymers constructed from a functionalized terpyridyl carboxylate ligand","CrystEngComm","2016","18","24","4613","","10.1039/C6CE00681G","","","0.71073","MoKα","","0.0288","0.0278","","","0.0802","0.0808","","","","","","1.072","","","","has coordinates","185218","2020-10-21","18:00:00",""
"7225058","8.959","0.0006","11.0509","0.0007","14.1615","0.0009","81.507","0.001","76.996","0.001","67.683","0.001","1260.76","0.14","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C56 H44 N6 Nd2 O12 -","- C56 H44 N6 Nd2 O12 -","- C56 H44 N6 Nd2 O12 -","1","0.5","","Xu, Bing; Cheng, Yue; Hu, Huai-Ming; Bai, Chao; Wang, Xiaofang; Yang, Meng-Lin; Xue, Ganglin","Syntheses, crystal structures and luminescence properties of lanthanide-based coordination polymers constructed from a functionalized terpyridyl carboxylate ligand","CrystEngComm","2016","18","24","4613","","10.1039/C6CE00681G","","","0.71073","MoKα","","0.0249","0.0231","","","0.0508","0.0521","","","","","","1.036","","","","has coordinates","185218","2020-10-21","18:00:00",""
"7225059","8.6593","0.0009","11.3825","0.0012","14.6811","0.0015","69.244","0.002","73.365","0.002","82.764","0.002","1296","0.2","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C60 H40 Eu2 N6 O14 -","- C60 H40 Eu2 N6 O14 -","- C60 H40 Eu2 N6 O14 -","1","0.5","","Xu, Bing; Cheng, Yue; Hu, Huai-Ming; Bai, Chao; Wang, Xiaofang; Yang, Meng-Lin; Xue, Ganglin","Syntheses, crystal structures and luminescence properties of lanthanide-based coordination polymers constructed from a functionalized terpyridyl carboxylate ligand","CrystEngComm","2016","18","24","4613","","10.1039/C6CE00681G","","","0.71073","MoKα","","0.0275","0.0241","","","0.053","0.0544","","","","","","1.048","","","","has coordinates","185218","2020-10-21","18:00:00",""
"7225060","8.6566","0.0011","11.3992","0.0015","14.6846","0.0018","69.373","0.002","73.559","0.002","82.771","0.002","1300.2","0.3","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C60 H40 Gd2 N6 O14 -","- C60 H40 Gd2 N6 O14 -","- C60 H40 Gd2 N6 O14 -","1","0.5","","Xu, Bing; Cheng, Yue; Hu, Huai-Ming; Bai, Chao; Wang, Xiaofang; Yang, Meng-Lin; Xue, Ganglin","Syntheses, crystal structures and luminescence properties of lanthanide-based coordination polymers constructed from a functionalized terpyridyl carboxylate ligand","CrystEngComm","2016","18","24","4613","","10.1039/C6CE00681G","","","0.71073","MoKα","","0.0318","0.0285","","","0.0575","0.0592","","","","","","1.087","","","","has coordinates","185218","2020-10-21","18:00:00",""
"7225061","8.5902","0.0005","11.3902","0.0007","14.602","0.0009","69.573","0.001","73.741","0.001","82.79","0.001","1284.72","0.13","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C60 H40 Er2 N6 O14 -","- C60 H40 Er2 N6 O14 -","- C60 H40 Er2 N6 O14 -","1","0.5","","Xu, Bing; Cheng, Yue; Hu, Huai-Ming; Bai, Chao; Wang, Xiaofang; Yang, Meng-Lin; Xue, Ganglin","Syntheses, crystal structures and luminescence properties of lanthanide-based coordination polymers constructed from a functionalized terpyridyl carboxylate ligand","CrystEngComm","2016","18","24","4613","","10.1039/C6CE00681G","","","0.71073","MoKα","","0.0267","0.0239","","","0.0505","0.0518","","","","","","1.029","","","","has coordinates","185218","2020-10-21","18:00:00",""
"7225062","19.5429","0.0008","4.7197","0.0001","17.2626","0.0007","90","","114.668","0.005","90","","1446.94","0.11","294","2","294","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H40 N2 O12 P4 -","- C22 H40 N2 O12 P4 -","- C44 H80 N4 O24 P8 -","2","0.5","","van Megen, M.; Frank, W.; Reiss, G. J.","A detailed comparative structural study of the hydrogen bonded networks in solids, obtained by the reaction of 4,4′-bipyridine and varied alkane-α,ω-diphosphonic acids","CrystEngComm","2016","18","20","3574","","10.1039/C5CE02156A","","","0.71073","MoKα","","0.0353","0.0335","","","0.0686","0.0692","","","","","","1.306","","","","has coordinates","185238","2020-10-21","18:00:00",""
"7225063","9.8401","0.0004","12.0388","0.0005","15.2173","0.0005","95.386","0.003","106.844","0.003","112.289","0.004","1553.6","0.12","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C13 H18 N2 O6 P2 -","- C13 H18 N2 O6 P2 -","- C52 H72 N8 O24 P8 -","4","2","","van Megen, M.; Frank, W.; Reiss, G. J.","A detailed comparative structural study of the hydrogen bonded networks in solids, obtained by the reaction of 4,4′-bipyridine and varied alkane-α,ω-diphosphonic acids","CrystEngComm","2016","18","20","3574","","10.1039/C5CE02156A","","","0.71073","MoKα","","0.0593","0.0406","","","0.0851","0.092","","","","","","1.042","","","","has coordinates","185238","2020-10-21","18:00:00",""
"7225064","9.1052","0.0002","9.5324","0.0003","20.3596","0.0006","79.976","0.002","86.857","0.002","69.836","0.002","1633.45","0.08","105","2","105","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H48 N2 O12 P4 -","- C26 H48 N2 O12 P4 -","- C52 H96 N4 O24 P8 -","2","1","","van Megen, M.; Frank, W.; Reiss, G. J.","A detailed comparative structural study of the hydrogen bonded networks in solids, obtained by the reaction of 4,4′-bipyridine and varied alkane-α,ω-diphosphonic acids","CrystEngComm","2016","18","20","3574","","10.1039/C5CE02156A","","","0.71073","MoKα","","0.0344","0.0297","","","0.0883","0.0912","","","","","","1.046","","","","has coordinates","185238","2020-10-21","18:00:00",""
"7225065","42.86","0.009","11.426","0.002","7.3826","0.0015","90","","90.59","0.03","90","","3615.2","1.2","173","2","173","2","","","","","","","","5","P 1 c 1","P -2yc","7","","","","- C28 H52 N2 O12 P4 -","- C28 H52 N2 O12 P4 -","- C112 H208 N8 O48 P16 -","4","2","","van Megen, M.; Frank, W.; Reiss, G. J.","A detailed comparative structural study of the hydrogen bonded networks in solids, obtained by the reaction of 4,4′-bipyridine and varied alkane-α,ω-diphosphonic acids","CrystEngComm","2016","18","20","3574","","10.1039/C5CE02156A","","","0.71073","MoKα","","0.0598","0.0504","","","0.1039","0.1079","","","","","","1.131","","","","has coordinates","185238","2020-10-21","18:00:00",""
"7225066","9.1687","0.0004","9.605","0.0004","17.9827","0.0007","79.13","0.003","89.668","0.003","70.32","0.003","1461.54","0.11","294","2","294","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H40 N2 O12 P4 -","- C22 H40 N2 O12 P4 -","- C44 H80 N4 O24 P8 -","2","1","","van Megen, M.; Frank, W.; Reiss, G. J.","A detailed comparative structural study of the hydrogen bonded networks in solids, obtained by the reaction of 4,4′-bipyridine and varied alkane-α,ω-diphosphonic acids","CrystEngComm","2016","18","20","3574","","10.1039/C5CE02156A","","","0.71073","MoKα","","0.0424","0.034","","","0.0875","0.093","","","","","","1.049","","","","has coordinates","185238","2020-10-21","18:00:00",""
"7225067","23.4234","0.0007","4.64205","0.00013","16.9643","0.0005","90","","104.72","0.003","90","","1784.03","0.09","106","2","106","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H28 N O6 P2 -","- C15 H28 N O6 P2 -","- C60 H112 N4 O24 P8 -","4","1","","van Megen, M.; Frank, W.; Reiss, G. J.","A detailed comparative structural study of the hydrogen bonded networks in solids, obtained by the reaction of 4,4′-bipyridine and varied alkane-α,ω-diphosphonic acids","CrystEngComm","2016","18","20","3574","","10.1039/C5CE02156A","","","0.71073","MoKα","","0.0694","0.0435","","","0.0888","0.0974","","","","","","1.019","","","","has coordinates","185238","2020-10-21","18:00:00",""
"7225068","4.7551","0.0001","8.7442","0.0003","22.6864","0.0008","81.639","0.003","87.13","0.003","88.196","0.003","931.81","0.05","122","2","122","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H30 N O6 P2 -","- C16 H30 N O6 P2 -","- C32 H60 N2 O12 P4 -","2","1","","van Megen, M.; Frank, W.; Reiss, G. J.","A detailed comparative structural study of the hydrogen bonded networks in solids, obtained by the reaction of 4,4′-bipyridine and varied alkane-α,ω-diphosphonic acids","CrystEngComm","2016","18","20","3574","","10.1039/C5CE02156A","","","0.71073","MoKα","","0.0464","0.0375","","","0.0909","0.0967","","","","","","1.049","","","","has coordinates","185238","2020-10-21","18:00:00",""
"7225069","9.1869","0.0018","9.2725","0.0019","24.348","0.005","83.68","0.03","81.01","0.03","81.4","0.03","2017.6","0.7","110","2","110","2","","","","","","","","5","P -1","-P 1","2","","","","- C34 H64 N2 O12 P4 -","- C34 H64 N2 O12 P4 -","- C68 H128 N4 O24 P8 -","2","1","","van Megen, M.; Frank, W.; Reiss, G. J.","A detailed comparative structural study of the hydrogen bonded networks in solids, obtained by the reaction of 4,4′-bipyridine and varied alkane-α,ω-diphosphonic acids","CrystEngComm","2016","18","20","3574","","10.1039/C5CE02156A","","","0.71073","MoKα","","0.0892","0.0717","","","0.1843","0.1933","","","","","","1.115","","","","has coordinates","185238","2020-10-21","18:00:00",""
"7225070","13.0898","0.0015","13.0898","0.0015","16.96","0.003","90","","90","","90","","2906","0.7","293","2","293","2","","","","","","","","8","P 4/n :2","-P 4a","85","","","","- C60 H60 B Cl F4 N8 O8 Re2 -","- C60 H60 B Cl F4 N8 O8 Re3 -","- C120 H120 B2 Cl2 F8 N16 O16 Re6 -","2","0.25","","Zhu, Xian-Dong; Li, Yong; Zhou, Wei-Xiang; Liu, Rong-Mei; Ding, Yu-Jie; Lü, Jian; Proserpio, Davide M.","Metal‒organic frameworks assembled from flexible alicyclic carboxylate and bipyridyl ligands for sensing of nitroaromatic explosives","CrystEngComm","2016","18","24","4530","","10.1039/C6CE00882H","","","0.71073","MoKα","","0.0691","0.0367","","","0.0996","0.1224","","","","","","1.315","","","","has coordinates","185223","2020-10-21","18:00:00",""
"7225071","8.7092","0.0007","17.5095","0.0015","12.4774","0.001","90","","90","","90","","1902.7","0.3","296","2","296","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C20 H24 Cd N2 O5 -","- C20 H22 Cd N2 O5 -","- C80 H88 Cd4 N8 O20 -","4","1","","Zhu, Xian-Dong; Li, Yong; Zhou, Wei-Xiang; Liu, Rong-Mei; Ding, Yu-Jie; Lü, Jian; Proserpio, Davide M.","Metal‒organic frameworks assembled from flexible alicyclic carboxylate and bipyridyl ligands for sensing of nitroaromatic explosives","CrystEngComm","2016","18","24","4530","","10.1039/C6CE00882H","","","0.71073","MoKα","","0.0317","0.0237","","","0.0636","0.0834","","","","","","1.198","","","","has coordinates","185223","2020-10-21","18:00:00",""
"7225072","10.0056","0.0005","10.264","0.0005","22.7508","0.001","84.883","0.004","81.606","0.004","63.403","0.005","2066.07","0.19","100","0.3","100","0.3","","","","","","","","5","P -1","-P 1","2","","","","- C42 H48 Cd2 N4 O8 -","- C42 H48 Cd2 N4 O8 -","- C84 H96 Cd4 N8 O16 -","2","1","","Zhu, Xian-Dong; Li, Yong; Zhou, Wei-Xiang; Liu, Rong-Mei; Ding, Yu-Jie; Lü, Jian; Proserpio, Davide M.","Metal‒organic frameworks assembled from flexible alicyclic carboxylate and bipyridyl ligands for sensing of nitroaromatic explosives","CrystEngComm","2016","18","24","4530","","10.1039/C6CE00882H","","","1.54178","CuKα","","0.0642","0.045","","","0.1058","0.1179","","","","","","1.014","","","","has coordinates,has disorder","185223","2020-10-21","18:00:00",""
"7225073","10.815","0.002","19.201","0.004","7.858","0.0016","90","","104.8","0.03","90","","1577.6","0.6","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C20 H22 N2 -","- C20 H22 N2 -","- C80 H88 N8 -","4","1","","Cai, Jinhui; Li, Feifei; Deng, Guo-Jun; Ji, Xiaochen; Huang, Huawen","The cyclopropylimine rearrangement/Povarov reaction cascade for the assembly of pyrrolo[3,2-c]quinoline derivatives","Green Chem.","2016","18","12","3503","","10.1039/C6GC00779A","","","0.71073","MoKα","","0.1286","0.076","","","0.2097","0.2812","","","","","","1.149","","","","has coordinates","206489","2020-10-21","18:00:00",""
"7225074","10.7411","0.0002","9.053","0.0002","11.5845","0.0002","90","","93.443","0.001","90","","1124.43","0.04","293","2","293.15","","","","","","","","Daphniphyllum himalense","4","P 1 21 1","P 2yb","4","","21-deoxymacropodumine D","","- C24 H35 N O5 -","- C24 H35 N O5 -","- C48 H70 N2 O10 -","2","1","","Zhang, Hua; Zhang, Dong-Dong; Li, Jing-Ya; Shyaula, Sajan L.; Li, J.; Yue, Jianmin","New alkaloids from Daphniphyllum himalense","RSC Adv.","2016","","","","","10.1039/C6RA06420E","","","1.54178","CuKα","","0.0511","0.0502","","","0.1568","0.1582","","","","","","1.074","","","","has coordinates","182446","2020-10-21","18:00:00",""
"7225075","14.9983","0.0012","8.7827","0.0006","14.3552","0.0012","90","","111.777","0.003","90","","1756","0.2","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C36 H56 N2 O4 S2 -","- C36 H56 N2 O4 S2 -","- C72 H112 N4 O8 S4 -","2","0.5","","Poduval, Mithrabinda K.; Arrechea-Marcos, Iratxe; Ruiz Delgado, M. Carmen; Park, Taiho; López Navarrete, Juan T.; Ortiz, Rocio Ponce; Kim, Tae-Hyun","Stereoisomers of an azine-linked donor-acceptor conjugated polymer: the impact of molecular conformation on electrical performance","RSC Adv.","2016","","","","","10.1039/C6RA07389A","","","0.71073","MoKα","","0.0647","0.042","","","0.0862","0.0951","","","","","","1.046","","","","has coordinates","182447","2020-10-21","18:00:00",""
"7225076","25.7143","0.0012","7.7086","0.0003","18.8672","0.0008","90","","107.439","0.001","90","","3568","0.3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C36 H56 N2 O4 S2 -","- C36 H56 N2 O4 S2 -","- C144 H224 N8 O16 S8 -","4","1","","Poduval, Mithrabinda K.; Arrechea-Marcos, Iratxe; Ruiz Delgado, M. Carmen; Park, Taiho; López Navarrete, Juan T.; Ortiz, Rocio Ponce; Kim, Tae-Hyun","Stereoisomers of an azine-linked donor-acceptor conjugated polymer: the impact of molecular conformation on electrical performance","RSC Adv.","2016","","","","","10.1039/C6RA07389A","","","0.71073","MoKα","","0.1091","0.0916","","","0.2062","0.2208","","","","","","1.038","","","","has coordinates","182447","2020-10-21","18:00:00",""
"7225077","15.4558","0.0007","18.7716","0.001","26.327","0.0012","90","","90","","90","","7638.3","0.6","294.3","0.5","294.3","0.5","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C20 H21 N4 O2.5 -","- C20 H21 N4 O2.5 -","- C320 H336 N64 O40 -","16","2","","Singh, Nongthombam Geetmani; Lily, Makroni; Devi, Shougaijam Premila; Rahman, Noimur; Ahmed, Aziz; Chandra, Asit K.; Nongkhlaw, Rishanlang","Synthetic, mechanistic and kinetic studies on the organo-nanocatalyzed synthesis of oxygen and nitrogen containing spiro compounds under ultrasonic conditions","Green Chem.","2016","18","15","4216","","10.1039/C6GC00724D","","","0.71073","MoKα","","0.0955","0.0561","","","0.1147","0.1366","","","","","","1.0392","","","","has coordinates","193656","2020-10-21","18:00:00",""
"7225078","10.3603","0.0015","13.054","0.002","14.655","0.003","75.239","0.015","84.652","0.014","69.915","0.014","1800","0.6","291.6","0.2","291.6","0.2","","","","","","","","4","P -1","-P 1","2","Spirooxindole","2'-amino-2,5'-dioxo-5'H-spiro[indoline-3,4'-pyrano[3,2-c]chromene]-3'-carbonitrile","","- C20 H11 N3 O4 -","- C20 H11 N3 O4 -","- C80 H44 N12 O16 -","4","2","","Singh, Nongthombam Geetmani; Lily, Makroni; Devi, Shougaijam Premila; Rahman, Noimur; Ahmed, Aziz; Chandra, Asit K.; Nongkhlaw, Rishanlang","Synthetic, mechanistic and kinetic studies on the organo-nanocatalyzed synthesis of oxygen and nitrogen containing spiro compounds under ultrasonic conditions","Green Chem.","2016","18","15","4216","","10.1039/C6GC00724D","","x-ray","0.71073","MoKα","","0.1796","0.0942","","","0.2287","0.2954","","","","","","0.9953","","","","has coordinates","193656","2020-10-21","18:00:00",""
"7225079","9.2607","0.0002","12.0677","0.0003","31.0183","0.0007","90","","97.604","0.003","90","","3435.98","0.14","285.9","0.6","285.9","0.6","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H18 Co3 N4 O10 -","- C24 H18 Co3 N4 O10 -","- C96 H72 Co12 N16 O40 -","4","1","","Chen, Di-Ming; Tian, Jia-Yue; Liu, Chun-Sen; Du, Miao","A CoII-based metal‒organic framework based on [Co6(μ3-OH)4] units exhibiting selective sorption of C2H2over CO2and CH4","CrystEngComm","2016","18","21","3760","","10.1039/C6CE00709K","","x-ray","0.71","MoKα","","0.0836","0.0582","","","0.1905","0.2157","","","","","","1.094","","","","has coordinates,has disorder","185244","2020-10-21","18:00:00",""
"7225080","9.9523","0.0007","9.9523","0.0007","36.798","0.003","90","","90","","90","","3644.8","0.5","293","2","293","2","","","","","","","","4","P 42/m m c","-P 4c 2","131","NNU-32","","","- C34 H14 In O8 -","- C34 H14 In O8 -","- C68 H28 In2 O16 -","2","0.125","","Li, Xingyu; Chen, Dashu; Liu, Yue; Yu, Ziyang; Xia, Qiansu; Xing, Hongzhu; Sun, Wendong","Anthracene-based indium metal‒organic framework as a promising photosensitizer for visible-light-induced atom transfer radical polymerization","CrystEngComm","2016","18","20","3696","","10.1039/C6CE00465B","","","0.71073","MoKα","","0.0756","0.0413","","","0.1038","0.1151","","","","","","0.963","","","","has coordinates","185236","2020-10-21","18:00:00",""
"7225081","12.8966","0.001","13.2531","0.0012","13.305","0.0014","87.876","0.005","80.577","0.006","70.558","0.006","2115.1","0.3","90","0.5","90","0.5","","","","","","","","7","P -1","-P 1","2","","","","- C50.23 H40.69 Cl N4 O3.62 P2 Ru -","- C49 H37 Cl N4 O3 P2 Ru -","- C98 H74 Cl2 N8 O6 P4 Ru2 -","2","1","","Thangavel, Sathiya Kamatchi; Palaniappan, kalaivani; Fronczek, Frank R.; Natarajan, Karuppannan; Prabhakaran, Rathinasabapathi","Impact of chelation on anticancer activities of organometallic ruthenium(II) complexes containing 2,5-di(1H-pyrazol-1-yl)-1,4-benzoquinone: Synthesis, structure, DNA/protein binding, antioxidant activity and cytotoxicity","RSC Adv.","2016","","","","","10.1039/C6RA05867A","","","0.71073","MoKα","","0.057","0.039","","","0.093","0.098","","","","","","1.069","","","","has coordinates","182478","2020-10-21","18:00:00",""
"7225082","12.9529","0.0009","13.5239","0.001","13.2161","0.001","88.945","0.006","81.494","0.005","69.81","0.005","2147.6","0.3","90","0.5","90","0.5","","","","","","","","7","P -1","-P 1","2","","","","- C49.77 H42.31 As2 Cl N4 O3.385 Ru -","- C49 H37 As2 Cl N4 O3 Ru -","- C98 H74 As4 Cl2 N8 O6 Ru2 -","2","1","","Thangavel, Sathiya Kamatchi; Palaniappan, kalaivani; Fronczek, Frank R.; Natarajan, Karuppannan; Prabhakaran, Rathinasabapathi","Impact of chelation on anticancer activities of organometallic ruthenium(II) complexes containing 2,5-di(1H-pyrazol-1-yl)-1,4-benzoquinone: Synthesis, structure, DNA/protein binding, antioxidant activity and cytotoxicity","RSC Adv.","2016","","","","","10.1039/C6RA05867A","","","0.71073","MoKα","","0.062","0.036","","","0.084","0.091","","","","","","1.037","","","","has coordinates","182478","2020-10-21","18:00:00",""
"7225083","9.0356","0.0002","10.3472","0.0003","16.0067","0.0005","97.804","0.003","104.923","0.002","100.186","0.002","1397.14","0.07","293","2","293","2","","","","","","","","4","P 1","P 1","1","","","","- C67 H66 N4 O12 -","- C66.99 H66 N4 O12 -","- C66.99 H66 N4 O12 -","1","1","","Bedekar, Ashutosh; Mothuku, Shyam Sundar","Synthesis of enantiomerically pure helicene-like mono 1,3-oxazines from 1,1’-binaphthyl-2,2’,7-triol and study of their chiroptical properties","RSC Adv.","2016","","","","","10.1039/C6RA10496G","","","1.54184","CuKα","","0.0446","0.0438","","","0.1189","0.12","","","","","","1.036","","","","has coordinates","182479","2020-10-21","18:00:00",""
"7225084","9.0291","0.0003","12.1317","0.0004","21.5315","0.0009","90","","90","","90","","2358.52","0.15","295","","295","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C31 H25 N O3 -","- C31 H25 N O3 -","- C124 H100 N4 O12 -","4","1","","Bedekar, Ashutosh; Mothuku, Shyam Sundar","Synthesis of enantiomerically pure helicene-like mono 1,3-oxazines from 1,1’-binaphthyl-2,2’,7-triol and study of their chiroptical properties","RSC Adv.","2016","","","","","10.1039/C6RA10496G","","","1.54184","","","0.052","0.0467","","","","0.1346","","","","","","0.807","","","","has coordinates","182479","2020-10-21","18:00:00",""
"7225085","9.9608","0.0003","9.4348","0.0003","10.0343","0.0003","90","","113.748","0.004","90","","863.16","0.05","293","","293","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C22 H16 O3 -","- C22 H16 O3 -","- C44 H32 O6 -","2","1","","Bedekar, Ashutosh; Mothuku, Shyam Sundar","Synthesis of enantiomerically pure helicene-like mono 1,3-oxazines from 1,1’-binaphthyl-2,2’,7-triol and study of their chiroptical properties","RSC Adv.","2016","","","","","10.1039/C6RA10496G","","","1.54184","","","0.0391","0.0366","","","","0.1175","","","","","","0.6369","","","","has coordinates","182479","2020-10-21","18:00:00",""
"7225086","12.3272","0.0011","12.9232","0.0011","19.308","0.0016","86.148","0.003","81.088","0.003","80.14","0.003","2991.3","0.4","198","2","198","2","","","","","","","","5","P -1","-P 1","2","","","","- C63 H61 Cl3 O4 S4 -","- C63 H61 Cl3 O4 S4 -","- C126 H122 Cl6 O8 S8 -","2","1","","Burilov, Vladimir; Valiyakhmetova, Alsu; Mironova, Diana; Safiullin, Roman; Kadirov, Marsil; Ivshin, Kamil; Kataeva, Olga; Solovieva, Svetlana; Antipin, Igor S.","“Clickable” thiacalix[4]arene derivatives bearing polymerizable 1,3-butadiyne fragments: synthesis and incorporation into polydiacetylene vesicles.","RSC Adv.","2016","","","","","10.1039/C6RA07555J","","","0.71073","MoKα","","0.1053","0.0779","","","0.2278","0.2655","","","","","","0.901","","","","has coordinates,has disorder","182480","2020-10-21","18:00:00",""
"7225087","18.0256","0.0014","15.4212","0.0011","10.3922","0.0006","90","","90","","90","","2888.8","0.3","298","2","298","2","","","","","","","","6","P n a 21","P 2c -2n","33","","2a","","- C23 H41 Cl3 N Nb O4 -","- C23.0004 H41.0013 Cl3 N Nb O4 -","- C92.0016 H164.005 Cl12 N4 Nb4 O16 -","4","1","","Roymuhury, Sagnik Kumar; Chakraborty, Debashis; V, Ramkumar","Zwitterionic niobium and tantalum complexes with bidentate aminophenol scaffolds: Synthesis, structural characterization and use in the ring opening polymerization of lactides","RSC Adv.","2016","","","","","10.1039/C6RA09789H","","","0.71073","MoKα","","0.0412","0.0334","","","0.0737","0.0778","","","","","","1.031","","","","has coordinates,has disorder","182481","2020-10-21","18:00:00",""
"7225088","14.104","0.009","12.692","0.008","7.34","0.005","90","","100.065","0.013","90","","1293.7","1.5","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","<i>N</i>-(2-nitrophenyl)-4-oxo-4<i>H</i>-chromone-3-carboxamide","","- C16 H10 N2 O5 -","- C16 H10 N2 O5 -","- C64 H40 N8 O20 -","4","1","","Borges, Fernanda; Cagide-Fagín, Fernando; Reis, Joana; Gaspar, Alexandra; Chavarria, Daniel; Klotz, Karl-Norbert; Vilar, Santiago; Gomes, Lígia R.; Kachler, Sonja; Hripcsak, George; Low, John","Discovery of the first A1 adenosine receptor ligand based on chromone scaffold","RSC Adv.","2016","","","","","10.1039/C6RA02347A","","","0.71075","MoKα","","0.1077","0.0766","","","0.1381","0.1525","","","","","","1.158","","","","has coordinates","182482","2020-10-21","18:00:00",""
"7225089","7.926","0.002","15.738","0.005","13.422","0.004","90","","100.404","0.003","90","","1646.7","0.8","93","","93","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C12 H20 B F7 N2 S -","- C12 H20 B F7 N2 S -","- C48 H80 B4 F28 N8 S4 -","4","1","","Mizuta, Satoshi; Kitamura, Kanami; Nishi, Kodai; Hashimoto, Ryo; Usui, Toshiya; Chiba, Kenya","Activity of N,N′-dialkyl-2-trifluoromethylthioimidazolium salts as phase-transfer catalyst for the alkylation of active methylene compounds","RSC Adv.","2016","6","49","43159","","10.1039/C6RA06870G","","","0.71075","MoKα","","0.0685","0.0516","","","0.1189","0.1267","","","","","","1.074","","","","has coordinates","182483","2020-10-21","18:00:00",""
"7225090","8.888","0.004","16.396","0.008","14.795","0.007","90","","90","","90","","2156","1.8","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H16 Ag2 N6 O6 -","- C18 H16 Ag2 N6 O6 -","- C72 H64 Ag8 N24 O24 -","4","1","","Miao, Shao-Bin; Li, Zhao-Hao; Xu, Chun-Ying; Ji, Bao-Ming","Syntheses, characterization, and luminescence properties of three novel Ag(i) coordination polymers based on polycarboxylic acid ligands and 1,3-di-(1,2,4-triazole-4-yl)benzene","CrystEngComm","2016","18","24","4636","","10.1039/C6CE00625F","","","0.71073","MoKα","","0.042","0.0349","","","0.1039","0.1084","","","","","","1.085","","","","has coordinates","185216","2020-10-21","18:00:00",""
"7225091","13.3465","0.0017","7.1935","0.0009","19.632","0.003","90","","102.694","0.001","90","","1838.8","0.4","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C19 H12 Ag2 N6 O6 -","- C19 H12 Ag2 N6 O6 -","- C76 H48 Ag8 N24 O24 -","4","1","","Miao, Shao-Bin; Li, Zhao-Hao; Xu, Chun-Ying; Ji, Bao-Ming","Syntheses, characterization, and luminescence properties of three novel Ag(i) coordination polymers based on polycarboxylic acid ligands and 1,3-di-(1,2,4-triazole-4-yl)benzene","CrystEngComm","2016","18","24","4636","","10.1039/C6CE00625F","","","0.71073","MoKα","","0.0481","0.0322","","","0.0713","0.0813","","","","","","1.007","","","","has coordinates","185216","2020-10-21","18:00:00",""
"7225092","18.11","0.013","14.899","0.011","10.013","0.007","90","","104.397","0.008","90","","2617","3","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H10 Ag6 N8 O8 -","- C22 H10 Ag6 N8 O8 -","- C88 H40 Ag24 N32 O32 -","4","1","","Miao, Shao-Bin; Li, Zhao-Hao; Xu, Chun-Ying; Ji, Bao-Ming","Syntheses, characterization, and luminescence properties of three novel Ag(i) coordination polymers based on polycarboxylic acid ligands and 1,3-di-(1,2,4-triazole-4-yl)benzene","CrystEngComm","2016","18","24","4636","","10.1039/C6CE00625F","","","0.71073","MoKα","","0.0733","0.0635","","","0.1672","0.1751","","","","","","0.998","","","","has coordinates","185216","2020-10-21","18:00:00",""
"7225093","13.3233","0.0005","7.3226","0.0002","8.0133","0.0003","90","","97.8638","0.0009","90","","774.44","0.05","298","","298","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C4 H4 Br K N2 O3 -","- C4 H4 Br K N2 O3 -","- C16 H16 Br4 K4 N8 O12 -","4","1","","Maini, L.; Braga, D.; Grepioni, F.; Lampronti, G. I.; Gaglioti, K.; Gobetto, R.; Chierotti, M. R.","From isomorphous to “anisomorphous” ionic co-crystals of barbituric acid upon dehydration and return","CrystEngComm","2016","18","24","4651","","10.1039/C6CE00566G","powder diffraction","x-ray","1.5406","CuKα","","","","","","","","","0.0115","2.09046","","","","","","","has coordinates","185220","2020-10-21","18:00:00",""
"7225094","14.1395","0.0006","7.374","0.0003","13.9831","0.0006","90","","102.141","0.002","90","","1425.33","0.1","298","","298","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C4 H4 Br N2 Na O3 -","- C4 H4 Br N2 Na O3 -","- C32 H32 Br8 N16 Na8 O24 -","8","1","","Maini, L.; Braga, D.; Grepioni, F.; Lampronti, G. I.; Gaglioti, K.; Gobetto, R.; Chierotti, M. R.","From isomorphous to “anisomorphous” ionic co-crystals of barbituric acid upon dehydration and return","CrystEngComm","2016","18","24","4651","","10.1039/C6CE00566G","powder diffraction","x-ray","1.5406","CuKα","","","","","","","","","0.0649","8.84972","","","","","","","has coordinates","185220","2020-10-21","18:00:00",""
"7225095","8.2776","0.0004","21.885","0.003","7.16","0.0006","90","","90","","90","","1297.1","0.2","293","2","293","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C4 H4 Br0.5 N2 O3 Rb0.5 -","- C4 H4 Br0.5 N2 O3 Rb0.5 -","- C32 H32 Br4 N16 O24 Rb4 -","8","1","","Maini, L.; Braga, D.; Grepioni, F.; Lampronti, G. I.; Gaglioti, K.; Gobetto, R.; Chierotti, M. R.","From isomorphous to “anisomorphous” ionic co-crystals of barbituric acid upon dehydration and return","CrystEngComm","2016","18","24","4651","","10.1039/C6CE00566G","","","0.71073","MoKα","","0.0438","0.0246","","","0.0476","0.0501","","","","","","0.934","","","","has coordinates","185220","2020-10-21","18:00:00",""
"7225096","13.1709","0.0004","13.5041","0.0005","14.1929","0.0005","85.631","0.003","89.267","0.002","63.403","0.003","2250.03","0.15","293","2","293.15","","","","","","","","","5","P -1","-P 1","2","","","","- C104 H80 N4 O14 Yb2 -","- C104 H80 N4 O14 Yb2 -","- C104 H80 N4 O14 Yb2 -","1","0.5","","Sun, Ou; Chen, Peng; Li, Hong-Feng; Gao, Ting; Sun, Wen-Bin; Li, Guang-Ming; Yan, Peng-Fei","A series of dinuclear lanthanide(iii) complexes constructed from Schiff base and β-diketonate ligands: synthesis, structure, luminescence and SMM behavior","CrystEngComm","2016","18","24","4627","","10.1039/C6CE00354K","","","0.71073","MoKα","","0.0431","0.0364","","","0.1021","0.1079","","","","","","1.079","","","","has coordinates","185221","2020-10-21","18:00:00",""
"7225097","13.2476","0.0004","13.6218","0.0004","14.1692","0.0005","85.747","0.002","88.605","0.003","63.083","0.003","2273.51","0.14","293","2","293.15","","","","","","","","","5","P -1","-P 1","2","","","","- C104 H80 Eu2 N4 O14 -","- C104 H80 Eu2 N4 O14 -","- C104 H80 Eu2 N4 O14 -","1","0.5","","Sun, Ou; Chen, Peng; Li, Hong-Feng; Gao, Ting; Sun, Wen-Bin; Li, Guang-Ming; Yan, Peng-Fei","A series of dinuclear lanthanide(iii) complexes constructed from Schiff base and β-diketonate ligands: synthesis, structure, luminescence and SMM behavior","CrystEngComm","2016","18","24","4627","","10.1039/C6CE00354K","","","0.71073","MoKα","","0.047","0.0375","","","0.1082","0.1149","","","","","","1.113","","","","has coordinates","185221","2020-10-21","18:00:00",""
"7225098","13.2798","0.0005","13.6291","0.0005","14.1655","0.0004","85.823","0.003","88.506","0.003","63.048","0.004","2279.23","0.16","293","2","293.15","","","","","","","","","5","P -1","-P 1","2","","","","- C104 H80 N4 O14 Sm2 -","- C104 H80 N4 O14 Sm2 -","- C104 H80 N4 O14 Sm2 -","1","0.5","","Sun, Ou; Chen, Peng; Li, Hong-Feng; Gao, Ting; Sun, Wen-Bin; Li, Guang-Ming; Yan, Peng-Fei","A series of dinuclear lanthanide(iii) complexes constructed from Schiff base and β-diketonate ligands: synthesis, structure, luminescence and SMM behavior","CrystEngComm","2016","18","24","4627","","10.1039/C6CE00354K","","","0.71073","MoKα","","0.0537","0.0433","","","0.1194","0.1272","","","","","","1.125","","","","has coordinates","185221","2020-10-21","18:00:00",""
"7225099","13.192","0.0011","13.5237","0.001","14.1426","0.0008","85.88","0.005","89.094","0.006","63.263","0.008","2247.1","0.3","293","2","293.15","","","","","","","","","5","P -1","-P 1","2","","","","- C104 H80 Dy2 N4 O14 -","- C104 H80 Dy2 N4 O14 -","- C104 H80 Dy2 N4 O14 -","1","0.5","","Sun, Ou; Chen, Peng; Li, Hong-Feng; Gao, Ting; Sun, Wen-Bin; Li, Guang-Ming; Yan, Peng-Fei","A series of dinuclear lanthanide(iii) complexes constructed from Schiff base and β-diketonate ligands: synthesis, structure, luminescence and SMM behavior","CrystEngComm","2016","18","24","4627","","10.1039/C6CE00354K","","","0.71073","MoKα","","0.0442","0.0354","","","0.0998","0.1048","","","","","","1.07","","","","has coordinates","185221","2020-10-21","18:00:00",""
"7225100","13.2572","0.0008","13.5997","0.0007","14.1795","0.0007","85.809","0.004","88.882","0.004","63.111","0.005","2273.7","0.2","293","2","293.15","","","","","","","","","5","P -1","-P 1","2","","","","- C104 H80 Gd2 N4 O14 -","- C104 H80 Gd2 N4 O14 -","- C104 H80 Gd2 N4 O14 -","1","0.5","","Sun, Ou; Chen, Peng; Li, Hong-Feng; Gao, Ting; Sun, Wen-Bin; Li, Guang-Ming; Yan, Peng-Fei","A series of dinuclear lanthanide(iii) complexes constructed from Schiff base and β-diketonate ligands: synthesis, structure, luminescence and SMM behavior","CrystEngComm","2016","18","24","4627","","10.1039/C6CE00354K","","","0.71073","MoKα","","0.0551","0.0433","","","0.1168","0.126","","","","","","1.067","","","","has coordinates","185221","2020-10-21","18:00:00",""
"7225101","50.824","0.0014","11.369","0.0003","17.604","0.0004","90","","90","","90","","10171.9","0.5","293","2","293","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C79 H79 N5 Nd6 O44 S9 -","- C79 H79 N5 Nd6 O44 S9 -","- C316 H316 N20 Nd24 O176 S36 -","4","1","","Yawer, Mohd; Kariem, Mukaddus; Sood, Puneet; Sheikh, Haq Nawaz","Lanthanide-based entangled coordination polymers connected by thiophene-2,5-dicarboxylate: solvothermal syntheses, crystal structures, luminescence and magnetic properties","CrystEngComm","2016","18","20","3617","","10.1039/C6CE00321D","","","0.71073","MoKα","","0.0442","0.0312","","","0.0576","0.0631","","","","","","1.079","","","","has coordinates,has disorder","185240","2020-10-21","18:00:00",""
"7225102","50.925","0.0014","11.3821","0.0003","17.6499","0.0004","90","","90","","90","","10230.5","0.5","293","2","293","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C79 H79 N5 O44 Pr6 S9 -","- C79 H79 N5 O44 Pr6 S9 -","- C316 H316 N20 O176 Pr24 S36 -","4","1","","Yawer, Mohd; Kariem, Mukaddus; Sood, Puneet; Sheikh, Haq Nawaz","Lanthanide-based entangled coordination polymers connected by thiophene-2,5-dicarboxylate: solvothermal syntheses, crystal structures, luminescence and magnetic properties","CrystEngComm","2016","18","20","3617","","10.1039/C6CE00321D","","","0.71073","MoKα","","0.0411","0.032","","","0.0613","0.0649","","","","","","1.025","","","","has coordinates,has disorder","185240","2020-10-21","18:00:00",""
"7225103","17.3778","0.0004","11.64042","0.00019","18.3475","0.0004","90","","110.413","0.003","90","","3478.36","0.14","150","0.1","150","0.1","","","","","","","","6","P 1 2/c 1","-P 2yc","13","","","","- C27 H28 N3 O14.5 S3 Tb2 -","- C28 H28 N2 O14.5 S3 Tb2 -","- C112 H112 N8 O58 S12 Tb8 -","4","1","","Yawer, Mohd; Kariem, Mukaddus; Sood, Puneet; Sheikh, Haq Nawaz","Lanthanide-based entangled coordination polymers connected by thiophene-2,5-dicarboxylate: solvothermal syntheses, crystal structures, luminescence and magnetic properties","CrystEngComm","2016","18","20","3617","","10.1039/C6CE00321D","","x-ray","0.71073","MoKα","","0.0323","0.0271","","","0.0698","0.0728","","","","","","1.088","","","","has coordinates","185240","2020-10-21","18:00:00",""
"7225104","17.2053","0.0008","11.6462","0.0004","18.2629","0.0009","90","","110.462","0.005","90","","3428.6","0.3","150","0.1","150","0.1","","","","","","","","6","P 1 2/c 1","-P 2yc","13","","","","- C23.5 H27 N8 O13.5 S3 Yb2 -","- C28 H28 N2 O14.5 S3 Yb2 -","- C112 H112 N8 O58 S12 Yb8 -","4","1","","Yawer, Mohd; Kariem, Mukaddus; Sood, Puneet; Sheikh, Haq Nawaz","Lanthanide-based entangled coordination polymers connected by thiophene-2,5-dicarboxylate: solvothermal syntheses, crystal structures, luminescence and magnetic properties","CrystEngComm","2016","18","20","3617","","10.1039/C6CE00321D","","x-ray","0.71073","MoKα","","0.0624","0.0566","","","0.1091","0.1118","","","","","","1.165","","","","has coordinates","185240","2020-10-21","18:00:00",""
"7225105","17.3974","0.0003","11.64531","0.00019","18.375","0.0004","90","","110.319","0.002","90","","3491.09","0.12","150","0.1","150","0.1","","","","","","","","6","P 1 2/c 1","-P 2yc","13","","","","- C28 H28 Gd2 N2 O15 S3 -","- C28 H28 Gd2 N2 O15 S3 -","- C112 H112 Gd8 N8 O60 S12 -","4","1","","Yawer, Mohd; Kariem, Mukaddus; Sood, Puneet; Sheikh, Haq Nawaz","Lanthanide-based entangled coordination polymers connected by thiophene-2,5-dicarboxylate: solvothermal syntheses, crystal structures, luminescence and magnetic properties","CrystEngComm","2016","18","20","3617","","10.1039/C6CE00321D","","x-ray","0.71073","MoKα","","0.0379","0.0323","","","0.0791","0.0827","","","","","","1.105","","","","has coordinates","185240","2020-10-21","18:00:00",""
"7225106","17.3358","0.0004","11.6348","0.0002","18.3198","0.0004","90","","110.426","0.003","90","","3462.74","0.14","150","0.1","150","0.1","","","","","","","","6","P 1 2/c 1","-P 2yc","13","","","","- C28 H28 Dy2 N2 O15 S3 -","- C28 H28 Dy2 N2 O15 S3 -","- C112 H112 Dy8 N8 O60 S12 -","4","1","","Yawer, Mohd; Kariem, Mukaddus; Sood, Puneet; Sheikh, Haq Nawaz","Lanthanide-based entangled coordination polymers connected by thiophene-2,5-dicarboxylate: solvothermal syntheses, crystal structures, luminescence and magnetic properties","CrystEngComm","2016","18","20","3617","","10.1039/C6CE00321D","","x-ray","0.71073","MoKα","","0.0384","0.0327","","","0.0733","0.0775","","","","","","1.045","","","","has coordinates","185240","2020-10-21","18:00:00",""
"7225107","51.1545","0.0014","11.4493","0.0003","17.7196","0.0005","90","","90","","90","","10378.1","0.5","293","2","293","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C79 H79 Ce6 N5 O44 S9 -","- C79 H79 Ce6 N5 O44 S9 -","- C316 H316 Ce24 N20 O176 S36 -","4","1","","Yawer, Mohd; Kariem, Mukaddus; Sood, Puneet; Sheikh, Haq Nawaz","Lanthanide-based entangled coordination polymers connected by thiophene-2,5-dicarboxylate: solvothermal syntheses, crystal structures, luminescence and magnetic properties","CrystEngComm","2016","18","20","3617","","10.1039/C6CE00321D","","","0.71073","MoKα","","0.0603","0.0549","","","0.1383","0.1417","","","","","","1.09","","","","has coordinates,has disorder","185240","2020-10-21","18:00:00",""
"7225108","50.641","0.003","11.353","0.0008","17.5277","0.001","90","","90","","90","","10077.2","1.1","293","2","293","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C79 H79 N5 O44 S9 Sm6 -","- C79 H79 N5 O44 S9 Sm6 -","- C316 H316 N20 O176 S36 Sm24 -","4","1","","Yawer, Mohd; Kariem, Mukaddus; Sood, Puneet; Sheikh, Haq Nawaz","Lanthanide-based entangled coordination polymers connected by thiophene-2,5-dicarboxylate: solvothermal syntheses, crystal structures, luminescence and magnetic properties","CrystEngComm","2016","18","20","3617","","10.1039/C6CE00321D","","","0.71073","MoKα","","0.0304","0.0268","","","0.0611","0.0622","","","","","","1.163","","","","has coordinates,has disorder","185240","2020-10-21","18:00:00",""
"7225109","11.2547","0.0005","17.5664","0.0008","16.8496","0.0009","90","","93.473","0.002","90","","3325.1","0.3","296","2","296","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C51 H47 Eu4 N3 O29 S6 -","- C51 H47 Eu4 N3 O29 S6 -","- C102 H94 Eu8 N6 O58 S12 -","2","1","","Yawer, Mohd; Kariem, Mukaddus; Sood, Puneet; Sheikh, Haq Nawaz","Lanthanide-based entangled coordination polymers connected by thiophene-2,5-dicarboxylate: solvothermal syntheses, crystal structures, luminescence and magnetic properties","CrystEngComm","2016","18","20","3617","","10.1039/C6CE00321D","","","0.71073","MoKα","","0.0328","0.0311","","","0.071","0.0718","","","","","","1.131","","","","has coordinates,has disorder","185240","2020-10-21","18:00:00",""
"7225110","28.1421","0.0011","15.566","0.0005","16.739","0.0009","90","","105.027","0.005","90","","7081.9","0.5","173","2","173","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C74 H64 Cl10 N2 P4 Ru2 -","- C74 H64 Cl10 N2 P4 Ru2 -","- C296 H256 Cl40 N8 P16 Ru8 -","4","0.5","","Fang, Xiaolong; Zhang, Chunyan; Chen, Jin; Zhu, Hongping; Yuan, Youzhu","Synthesis and catalytic performance of ruthenium complexes ligated with rigid o-(diphenylphosphino)aniline for chemoselective hydrogenation of dimethyl oxalate","RSC Adv.","2016","","","","","10.1039/C6RA00320F","","","1.54178","CuKα","","0.0498","0.0384","","","0.0947","0.101","","","","","","1.031","","","","has coordinates,has disorder","182586","2020-10-21","18:00:00",""
"7225111","18.146","0.003","23.863","0.002","18.672","0.002","90","","117.597","0.017","90","","7165.4","1.9","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C87 H79 N2 P4 Ru2 -","- C87 H79 N2 P4 Ru2 -","- C348 H316 N8 P16 Ru8 -","4","1","","Fang, Xiaolong; Zhang, Chunyan; Chen, Jin; Zhu, Hongping; Yuan, Youzhu","Synthesis and catalytic performance of ruthenium complexes ligated with rigid o-(diphenylphosphino)aniline for chemoselective hydrogenation of dimethyl oxalate","RSC Adv.","2016","","","","","10.1039/C6RA00320F","","","0.71073","MoKα","","0.1663","0.0813","","","0.1076","0.1325","","","","","","0.914","","","","has coordinates","182586","2020-10-21","18:00:00",""
"7225112","9.6626","0.0002","18.7669","0.0003","17.4652","0.0003","90","","92.018","0.002","90","","3165.12","0.1","173","2","173","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C37 H31 Cl N2 O P2 Ru -","- C37 H31 Cl N2 O P2 Ru -","- C148 H124 Cl4 N8 O4 P8 Ru4 -","4","1","","Fang, Xiaolong; Zhang, Chunyan; Chen, Jin; Zhu, Hongping; Yuan, Youzhu","Synthesis and catalytic performance of ruthenium complexes ligated with rigid o-(diphenylphosphino)aniline for chemoselective hydrogenation of dimethyl oxalate","RSC Adv.","2016","","","","","10.1039/C6RA00320F","","","0.71073","MoKα","","0.0385","0.0305","","","0.0619","0.0643","","","","","","1.07","","","","has coordinates","182586","2020-10-21","18:00:00",""
"7225113","9.4756","0.0005","12.3693","0.0006","15.0544","0.0008","102.681","0.004","104.014","0.005","106.027","0.005","1565.9","0.16","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C37 H32 N2 O P2 Ru -","- C37 H32 N2 O P2 Ru -","- C74 H64 N4 O2 P4 Ru2 -","2","1","","Fang, Xiaolong; Zhang, Chunyan; Chen, Jin; Zhu, Hongping; Yuan, Youzhu","Synthesis and catalytic performance of ruthenium complexes ligated with rigid o-(diphenylphosphino)aniline for chemoselective hydrogenation of dimethyl oxalate","RSC Adv.","2016","","","","","10.1039/C6RA00320F","","","0.71073","MoKα","","0.0398","0.0315","","","0.0739","0.078","","","","","","1.07","","","","has coordinates","182586","2020-10-21","18:00:00",""
"7225114","14.0553","0.0004","21.4168","0.0006","25.583","0.0007","90","","99.946","0.002","90","","7585.2","0.4","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C91.5 H80 N4 O2 P4 Ru2 -","- C91.5 H76 N4 O2 P4 Ru2 -","- C366 H304 N16 O8 P16 Ru8 -","4","1","","Fang, Xiaolong; Zhang, Chunyan; Chen, Jin; Zhu, Hongping; Yuan, Youzhu","Synthesis and catalytic performance of ruthenium complexes ligated with rigid o-(diphenylphosphino)aniline for chemoselective hydrogenation of dimethyl oxalate","RSC Adv.","2016","","","","","10.1039/C6RA00320F","","","0.71073","MoKα","","0.0924","0.058","","","0.1009","0.1114","","","","","","1.027","","","","has coordinates,has disorder","182586","2020-10-21","18:00:00",""
"7225115","12.4725","0.0007","44.037","0.003","16.4716","0.0009","90","","94.598","0.005","90","","9017.9","0.9","173","2","173","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C100.5 H91 Cl3 N5 O0 P5 Ru2 -","- C100.5 H91 Cl3 N5 P5 Ru2 -","- C402 H364 Cl12 N20 P20 Ru8 -","4","1","","Fang, Xiaolong; Zhang, Chunyan; Chen, Jin; Zhu, Hongping; Yuan, Youzhu","Synthesis and catalytic performance of ruthenium complexes ligated with rigid o-(diphenylphosphino)aniline for chemoselective hydrogenation of dimethyl oxalate","RSC Adv.","2016","","","","","10.1039/C6RA00320F","","","0.71073","MoKα","","0.1804","0.0968","","","0.1636","0.1929","","","","","","1.032","","","","has coordinates","182586","2020-10-21","18:00:00",""
"7225116","10.5766","0.0009","12.3448","0.0008","16.1597","0.0012","101.337","0.006","107.519","0.007","106.783","0.007","1831.1","0.3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","metallacrown","{Tb(OAc)(H2O)[15-MCCu(N)glyha-5](H2O)4}?2NO3?4H2O","","- C12 H41 Cu5 N12 O27 Tb -","- C12 H41 Cu5 N12 O27 Tb -","- C24 H82 Cu10 N24 O54 Tb2 -","2","1","","Meng, Yanxia; Yang, Hua; Li, DaCheng; Zeng, Suyuan; Chen, Guifang; Li, Shengli; Dou, Jianmin","Synthesis, Crystal Structure, DNA-Binding and Magnetism of Copper 15-Metallacrown-5 Complexes Based on Glycinehydroxamic Acid Ligand","RSC Adv.","2016","","","","","10.1039/C6RA05239H","","","0.71073","MoKα","","0.1018","0.0803","","","0.1772","0.2055","","","","","","1.083","","","","has coordinates","182587","2020-10-21","18:00:00",""
"7225117","10.4509","0.0005","12.5437","0.0006","16.3152","0.0008","71.343","0.004","76.532","0.004","76.328","0.004","1940.04","0.17","293","2","293","2","","","","","","","","6","P -1","-P 1","2","metallacrown","{La(OAc)(H2O)2[15-MCCu(N)glyha-5](H2O)4}?2NO3?5H2O","","- C12 H45 Cu5 La N12 O29 -","- C12 H45 Cu5 La N12 O29 -","- C24 H90 Cu10 La2 N24 O58 -","2","1","","Meng, Yanxia; Yang, Hua; Li, DaCheng; Zeng, Suyuan; Chen, Guifang; Li, Shengli; Dou, Jianmin","Synthesis, Crystal Structure, DNA-Binding and Magnetism of Copper 15-Metallacrown-5 Complexes Based on Glycinehydroxamic Acid Ligand","RSC Adv.","2016","","","","","10.1039/C6RA05239H","","","0.71073","MoKα","","0.106","0.0684","","","0.1575","0.1979","","","","","","1.048","","","","has coordinates","182587","2020-10-21","18:00:00",""
"7225118","10.7585","0.0009","11.4924","0.0007","16.85","0.001","72.44","0.005","87.722","0.006","73.844","0.006","1905.6","0.2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","metallacrown","{Pr(NO3)(H2O)2[15-MCCu(N)glyha-5] (H2O)}?2NO3?8H2O","","- C10 H42 Cu5 N13 O30 Pr -","- C10 H42 Cu5 N13 O30 Pr -","- C20 H84 Cu10 N26 O60 Pr2 -","2","1","","Meng, Yanxia; Yang, Hua; Li, DaCheng; Zeng, Suyuan; Chen, Guifang; Li, Shengli; Dou, Jianmin","Synthesis, Crystal Structure, DNA-Binding and Magnetism of Copper 15-Metallacrown-5 Complexes Based on Glycinehydroxamic Acid Ligand","RSC Adv.","2016","","","","","10.1039/C6RA05239H","","","1.54184","CuKα","","0.0935","0.0784","","","0.1958","0.2204","","","","","","1.021","","","","has coordinates","182587","2020-10-21","18:00:00",""
"7225119","10.7503","0.0008","11.5848","0.0011","16.9532","0.0014","72.702","0.001","87.426","0.002","74.978","0.001","1945.8","0.3","298","2","298","2","","","","","","","","6","P -1","-P 1","2","metallacrown","{Nd(NO3)(H2O)2[15-MCCu(N)glyha-5](H2O)2}?2NO3?7H2O","","- C10 H42 Cu5 N13 Nd O30 -","- C10 H42 Cu5 N13 Nd O30 -","- C20 H84 Cu10 N26 Nd2 O60 -","2","1","","Meng, Yanxia; Yang, Hua; Li, DaCheng; Zeng, Suyuan; Chen, Guifang; Li, Shengli; Dou, Jianmin","Synthesis, Crystal Structure, DNA-Binding and Magnetism of Copper 15-Metallacrown-5 Complexes Based on Glycinehydroxamic Acid Ligand","RSC Adv.","2016","","","","","10.1039/C6RA05239H","","","0.71073","MoKα","","0.07","0.048","","","0.1179","0.1318","","","","","","1.024","","","","has coordinates","182587","2020-10-21","18:00:00",""
"7225120","10.71","0.0008","11.5449","0.0009","16.8941","0.0013","72.927","0.002","87.173","0.002","74.987","0.003","1927.9","0.3","298","2","298","2","","","","","","","","6","P -1","-P 1","2","metallacrown","{Sm(NO3)(H2O)2[15-MCCu(N)glyha-5] (H2O)2}?2NO3?6H2O","","- C10 H42 Cu5 N13 O30 Sm -","- C10 H42 Cu5 N13 O30 Sm -","- C20 H84 Cu10 N26 O60 Sm2 -","2","1","","Meng, Yanxia; Yang, Hua; Li, DaCheng; Zeng, Suyuan; Chen, Guifang; Li, Shengli; Dou, Jianmin","Synthesis, Crystal Structure, DNA-Binding and Magnetism of Copper 15-Metallacrown-5 Complexes Based on Glycinehydroxamic Acid Ligand","RSC Adv.","2016","","","","","10.1039/C6RA05239H","","","0.71073","MoKα","","0.0553","0.0411","","","0.0985","0.1049","","","","","","0.988","","","","has coordinates","182587","2020-10-21","18:00:00",""
"7225121","10.5669","0.0008","12.3139","0.0009","16.1763","0.001","101.321","0.006","107.61","0.006","106.655","0.007","1827.4","0.3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","metallacrown","{Gd(OAc)(H2O)[15-MCCu(N)glyha-5] (H2O)3}?2NO3?5H2O","","- C12 H41 Cu5 Gd N12 O27 -","- C12 H41 Cu5 Gd N12 O27 -","- C24 H82 Cu10 Gd2 N24 O54 -","2","1","","Meng, Yanxia; Yang, Hua; Li, DaCheng; Zeng, Suyuan; Chen, Guifang; Li, Shengli; Dou, Jianmin","Synthesis, Crystal Structure, DNA-Binding and Magnetism of Copper 15-Metallacrown-5 Complexes Based on Glycinehydroxamic Acid Ligand","RSC Adv.","2016","","","","","10.1039/C6RA05239H","","","0.71073","MoKα","","0.0977","0.0759","","","0.1741","0.2053","","","","","","1.108","","","","has coordinates","182587","2020-10-21","18:00:00",""
"7225122","11.9474","0.0002","12.2845","0.0003","16.6972","0.0005","101.213","0.001","90.25","0.001","98.643","0.002","2375.11","0.1","223","2","223","2","","","","","","","","4","P -1","-P 1","2","","","","- C55 H52 N6 O2 -","- C55 H52 N6 O2 -","- C110 H104 N12 O4 -","2","1","","Ghosh, Kumaresh; Tarafdar, Debojyoti; Majumdar, Anupam; Daniliuc, Constantin Gabriel; Samadder, Asmita; Khuda-Bukhsh, Anisur Rahman","Dipicolylamine coupled rhodamine dyes: New clefts for highly selective naked eye sensing of Cu2+ and CN- ions","RSC Adv.","2016","","","","","10.1039/C6RA05036K","","","0.71073","MoKα","","0.1437","0.0869","","","0.1993","0.2245","","","","","","1.054","","","","has coordinates","182588","2020-10-21","18:00:00",""
"7225123","12.1284","0.0004","15.8117","0.0006","17.2351","0.0007","90","","101.641","0.002","90","","3237.2","0.2","298","","298","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C37 H40 F2 N4 O2 -","- C37 H40 F2 N4 O2 -","- C148 H160 F8 N16 O8 -","4","1","","Girgis, AS; George, Riham F.; Panda, Siva S.; Shalaby, ElSayed M.; Srour, Aladdin M.; Farag, I. S. Ahmed","Synthesis and molecular modeling studies of indole-based antitumor agents","RSC Adv.","2016","","","","","10.1039/C6RA07061B","","","0.71073","MoKα","","0.4053","0.0519","","0.1331","0.0931","0.0931","","","","","","1.097","","","","has coordinates","182589","2020-10-21","18:00:00",""
"7225124","12.3371","0.0004","16.2079","0.0007","17.0271","0.0009","90","","100.522","0.002","90","","3347.5","0.3","298","","298","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C38 H42 F2 N4 O2 -","- C38 H42 F2 N4 O2 -","- C152 H168 F8 N16 O8 -","4","1","","Girgis, AS; George, Riham F.; Panda, Siva S.; Shalaby, ElSayed M.; Srour, Aladdin M.; Farag, I. S. Ahmed","Synthesis and molecular modeling studies of indole-based antitumor agents","RSC Adv.","2016","","","","","10.1039/C6RA07061B","","","0.71073","MoKα","","0.4516","0.0683","","0.2577","0.1314","0.1314","","","","","","1.0144","","","","has coordinates","182589","2020-10-21","18:00:00",""
"7225125","14.967","0.003","6.4874","0.0012","16.903","0.003","90","","104.548","0.004","90","","1588.6","0.5","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C21 H18 O2 -","- C21 H18 O2 -","- C84 H72 O8 -","4","1","","Huang, Dayun; Yang, Weiguang; Zhang, Jianlan; Wang, Xuesong; Wang, Xinyan; Hu, Yuefei","Lewis Acid-Catalyzed Tandem Synthesis of 9-Sulfonylamino- and 9-Arylfluorenes","RSC Adv.","2016","","","","","10.1039/C6RA03889A","","","0.71073","MoKα","","0.0524","0.0391","","","0.1088","0.1186","","","","","","1.052","","","","has coordinates","182590","2020-10-21","18:00:00",""
"7225126","33.368","0.009","13.694","0.003","23.569","0.007","90","","133.022","0.01","90","","7874","4","123","2","123","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","2,4,6-tris(phenylthio)-1,3,5-triazine","","- C21 H15 N3 S3 -","- C21 H15 N3 S3 -","- C336 H240 N48 S48 -","16","2","","Mehrotra, Sonam; Angamuthu, Raja","Janus head type lone pair‒π‒lone pair and S⋯F⋯S interactions in retaining hexafluorobenzene","CrystEngComm","2016","18","23","4438","","10.1039/C6CE00496B","","","0.71073","MoKα","","0.0847","0.0523","","","0.1161","0.1345","","","","","","1.006","","","","has coordinates","185283","2020-10-21","18:00:00",""
"7225127","7.5595","0.0016","9.694","0.002","29.683","0.006","90","","96.753","0.004","90","","2160.1","0.8","123","2","123","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","2,4,6-tris(p-tolylthio)-1,3,5-triazine","","- C24 H21 N3 S3 -","- C24 H21 N3 S3 -","- C96 H84 N12 S12 -","4","1","","Mehrotra, Sonam; Angamuthu, Raja","Janus head type lone pair‒π‒lone pair and S⋯F⋯S interactions in retaining hexafluorobenzene","CrystEngComm","2016","18","23","4438","","10.1039/C6CE00496B","","","0.71073","MoKα","","0.077","0.0514","","","0.1233","0.1545","","","","","","1.083","","","","has coordinates","185283","2020-10-21","18:00:00",""
"7225128","10.233","0.003","14.35","0.004","14.563","0.004","90","","90.98","0.005","90","","2138.2","1","123","2","123","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","2,4,6-tris((4-chlorophenyl)thio)-1,3,5-triazine","","- C21 H12 Cl3 N3 S3 -","- C21 H12 Cl3 N3 S3 -","- C84 H48 Cl12 N12 S12 -","4","1","","Mehrotra, Sonam; Angamuthu, Raja","Janus head type lone pair‒π‒lone pair and S⋯F⋯S interactions in retaining hexafluorobenzene","CrystEngComm","2016","18","23","4438","","10.1039/C6CE00496B","","","0.71073","MoKα","","0.08","0.0461","","","0.1043","0.1298","","","","","","1.06","","","","has coordinates","185283","2020-10-21","18:00:00",""
"7225129","20.799","0.004","7.8317","0.0015","15.126","0.003","90","","109.382","0.005","90","","2324.3","0.8","123","2","123","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2,4,6-tris((3-nitrophenyl)thio)-1,3,5-triazine","","- C21 H12 N6 O6 S3 -","- C21 H12 N6 O6 S3 -","- C84 H48 N24 O24 S12 -","4","1","","Mehrotra, Sonam; Angamuthu, Raja","Janus head type lone pair‒π‒lone pair and S⋯F⋯S interactions in retaining hexafluorobenzene","CrystEngComm","2016","18","23","4438","","10.1039/C6CE00496B","","","0.71073","MoKα","","0.2272","0.0756","","","0.1106","0.1432","","","","","","0.964","","","","has coordinates","185283","2020-10-21","18:00:00",""
"7225130","12.642","0.003","8.916","0.002","23.281","0.005","90","","97.804","0.006","90","","2599.8","1","123","2","123","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","2,4,6-tris((2-methyl-5-nitrophenyl)thio)-1,3,5-triazine","","- C24 H18 N6 O6 S3 -","- C24 H18 N6 O6 S3 -","- C96 H72 N24 O24 S12 -","4","1","","Mehrotra, Sonam; Angamuthu, Raja","Janus head type lone pair‒π‒lone pair and S⋯F⋯S interactions in retaining hexafluorobenzene","CrystEngComm","2016","18","23","4438","","10.1039/C6CE00496B","","","0.71073","MoKα","","0.1009","0.0495","","","0.0995","0.1167","","","","","","1.007","","","","has coordinates,has disorder","185283","2020-10-21","18:00:00",""
"7225131","9.411","0.002","12.295","0.003","13.934","0.003","108.662","0.004","108.819","0.003","92.389","0.004","1426.9","0.6","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H27 F3 N3 S3 -","- C30 H27 F3 N3 S3 -","- C60 H54 F6 N6 S6 -","2","1","","Mehrotra, Sonam; Angamuthu, Raja","Janus head type lone pair‒π‒lone pair and S⋯F⋯S interactions in retaining hexafluorobenzene","CrystEngComm","2016","18","23","4438","","10.1039/C6CE00496B","","","0.71073","MoKα","","0.1076","0.093","","","0.245","0.2863","","","","","","1.163","","","","has coordinates","185283","2020-10-21","18:00:00",""
"7225132","11.446","0.002","9.9569","0.0018","22.647","0.004","90","","93.964","0.008","90","","2574.8","0.8","123","2","123","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C27 H27 N3 S3 -","- C27 H27 N3 S3 -","- C108 H108 N12 S12 -","4","1","","Mehrotra, Sonam; Angamuthu, Raja","Janus head type lone pair‒π‒lone pair and S⋯F⋯S interactions in retaining hexafluorobenzene","CrystEngComm","2016","18","23","4438","","10.1039/C6CE00496B","","","0.71073","MoKα","","0.0946","0.0508","","","0.1135","0.1324","","","","","","1.022","","","","has coordinates,has disorder","185283","2020-10-21","18:00:00",""
"7225133","13.491","0.005","10.406","0.004","23.955","0.009","90","","94.092","0.007","90","","3354","2","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C36 H45 N3 S3 -","- C36 H45 N3 S3 -","- C144 H180 N12 S12 -","4","1","","Mehrotra, Sonam; Angamuthu, Raja","Janus head type lone pair‒π‒lone pair and S⋯F⋯S interactions in retaining hexafluorobenzene","CrystEngComm","2016","18","23","4438","","10.1039/C6CE00496B","","","0.71073","MoKα","","0.2417","0.0807","","","0.127","0.1836","","","","","","0.906","","","","has coordinates","185283","2020-10-21","18:00:00",""
"7225134","9.899","0.003","12.113","0.003","20.03","0.005","90","","90","","90","","2401.7","1.1","298","2","298","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C21 H3 F12 N3 S3 -","- C21 H3 F12 N3 S3 -","- C84 H12 F48 N12 S12 -","4","1","","Mehrotra, Sonam; Angamuthu, Raja","Janus head type lone pair‒π‒lone pair and S⋯F⋯S interactions in retaining hexafluorobenzene","CrystEngComm","2016","18","23","4438","","10.1039/C6CE00496B","","","0.71073","MoKα","","0.1336","0.045","","","0.0761","0.1014","","","","","","1.001","","","","has coordinates","185283","2020-10-21","18:00:00",""
"7225135","5.4169","0.001","6.2821","0.0012","11.269","0.002","88.143","0.004","84.561","0.004","87.54","0.004","381.25","0.12","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C4 H8 Cu F6 O12 S2 -","- C4 H8 Cu F6 O12 S2 -","- C4 H8 Cu F6 O12 S2 -","1","0.5","","Zhao, Gang; Wu, Hao; Xiao, Zhiwei; Chen, Qing-Yun; Liu, Chao","Trifluoromethylation of Haloarenes with a New Trifluoromethylating Reagent Cu(O2CCF2SO2F)2","RSC Adv.","2016","","","","","10.1039/C6RA09011G","","","0.71073","MoKα","","0.0654","0.0647","","","0.1687","0.1697","","","","","","1.125","","","","has coordinates","182812","2020-10-21","18:00:00",""
"7225136","17.507","0.004","14.509","0.004","14.459","0.004","90","","121.212","0.007","90","","3141.1","1.4","296","2","296","2","","","","","","","","8","C 1 2/m 1","-C 2y","12","","","","- C16 H16 Cl Cu12 N24 O40 P W12 -","- C16 H16 Cl Cu12 N24 O40 P W12 -","- C32 H32 Cl2 Cu24 N48 O80 P2 W24 -","2","0.25","","Lu, Xin-Xin; Luo, Yu-Hui; Liu, Yu-Shuang; Ma, Wen-Wen; Xu, Yan; Zhang, Hong","Assembly of three stable POM-based pillar-layer CuIcoordination polymers with visible light driven photocatalytic properties","CrystEngComm","2016","18","20","3650","","10.1039/C6CE00332J","","","0.71073","MoKα","","0.0845","0.0643","","","0.1419","0.1479","","","","","","1.096","","","","has coordinates","185232","2020-10-21","18:00:00",""
"7225137","17.436","0.002","14.52","0.002","14.457","0.003","90","","121.431","0.004","90","","3123","0.9","293","2","293","2","","","","","","","","8","C 1 2/m 1","-C 2y","12","","","","- C16 H16 Cl Cu12 Mo12 N24 O40 P -","- C16 H16 Cl Cu12 Mo12 N24 O40 P -","- C32 H32 Cl2 Cu24 Mo24 N48 O80 P2 -","2","0.25","","Lu, Xin-Xin; Luo, Yu-Hui; Liu, Yu-Shuang; Ma, Wen-Wen; Xu, Yan; Zhang, Hong","Assembly of three stable POM-based pillar-layer CuIcoordination polymers with visible light driven photocatalytic properties","CrystEngComm","2016","18","20","3650","","10.1039/C6CE00332J","","","0.71073","MoKα","","0.0732","0.0562","","","0.1113","0.119","","","","","","1.051","","","","has coordinates","185232","2020-10-21","18:00:00",""
"7225138","8.749","0.002","9.827","0.003","10.261","0.003","108.852","0.002","107.023","0.002","103.786","0.002","742.3","0.4","153","2","153","2","","","","","","","","6","P -1","-P 1","2","","","","- C2 H12 Cl2 N8 O10 Sr -","- C2 H12 Cl2 N8 O10 Sr -","- C4 H24 Cl4 N16 O20 Sr2 -","2","1","","Mi, Zhenhao; Zhang, Tonglai; Zhang, Jianguo; Zhou, Zun-ning; Yang, Li","Synthesis, structure and characterization of 1-D polymer {[Sr(CHZ)2(ClO4)]ClO4}n: A New Concept of Designing Primary Explosives","RSC Adv.","2016","","","","","10.1039/C6RA07277A","","","0.71073","MoKα","","0.0283","0.0247","","","0.0621","0.0631","","","","","","0.949","","","","has coordinates","182835","2020-10-21","18:00:00",""
"7225139","15.241","0.0012","10.5185","0.0008","7.7546","0.0007","90","","100.767","0.008","90","","1221.27","0.18","293","","293","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C3 H5 N7 O -","- C3 H4 N7 O -","- C24 H32 N56 O8 -","8","1","","Shang, Yu; Jin, Bo; Peng, Ru-Fang; Guo, Zhicheng; Liu, Qiangqiang; Zhao, Jun; Zhang, Qingchun","Nitrogen-rich Energetic Salts of 1H,1′H-5,5′-Bistetrazole-1,1′-diolate: Synthesis, Characterization, and Thermal Behaviors","RSC Adv.","2016","","","","","10.1039/C6RA10108A","","x-ray","1.54184","CuKα","","0.0522","0.0474","","","0.1247","0.1331","","","","","","1.039","","","","has coordinates","182836","2020-10-21","18:00:00",""
"7225140","5.386","0.0005","7.2676","0.0006","11.1149","0.0011","106.362","0.007","92.344","0.013","104.613","0.009","401","0.07","113","2","113","2","","","","","","","","4","P -1","-P 1","2","","","","- C10 H18 N12 O4 -","- C10 H18 N12 O4 -","- C10 H18 N12 O4 -","1","0.5","","Shang, Yu; Jin, Bo; Peng, Ru-Fang; Guo, Zhicheng; Liu, Qiangqiang; Zhao, Jun; Zhang, Qingchun","Nitrogen-rich Energetic Salts of 1H,1′H-5,5′-Bistetrazole-1,1′-diolate: Synthesis, Characterization, and Thermal Behaviors","RSC Adv.","2016","","","","","10.1039/C6RA10108A","","","0.71073","MoKα","","0.0329","0.0313","","","0.0893","0.0904","","","","","","1.091","","","","has coordinates","182836","2020-10-21","18:00:00",""
"7225141","10.042","0.002","13.882","0.002","6.7012","0.0012","90","","98.155","0.004","90","","924.7","0.3","113","2","113","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C5 H6 N10 O2 -","- C5 H6 N10 O2 -","- C20 H24 N40 O8 -","4","1","","Shang, Yu; Jin, Bo; Peng, Ru-Fang; Guo, Zhicheng; Liu, Qiangqiang; Zhao, Jun; Zhang, Qingchun","Nitrogen-rich Energetic Salts of 1H,1′H-5,5′-Bistetrazole-1,1′-diolate: Synthesis, Characterization, and Thermal Behaviors","RSC Adv.","2016","","","","","10.1039/C6RA10108A","","","0.71073","MoKα","","0.0442","0.0422","","","0.1191","0.1213","","","","","","1.049","","","","has coordinates","182836","2020-10-21","18:00:00",""
"7225142","3.5356","0.0014","13.3","0.005","18.164","0.007","72.222","0.004","87.207","0.004","86.316","0.004","811.3","0.5","100","2","100","2","","","","","","","","4","P 1","P 1","1","","","","- C6 H18 N16 O6 -","- C6 H18 N16 O6 -","- C12 H36 N32 O12 -","2","2","","Shang, Yu; Jin, Bo; Peng, Ru-Fang; Guo, Zhicheng; Liu, Qiangqiang; Zhao, Jun; Zhang, Qingchun","Nitrogen-rich Energetic Salts of 1H,1′H-5,5′-Bistetrazole-1,1′-diolate: Synthesis, Characterization, and Thermal Behaviors","RSC Adv.","2016","","","","","10.1039/C6RA10108A","","","0.71073","MoKα","","0.0937","0.091","","","0.24","0.2425","","","","","","1.031","","","","has coordinates","182836","2020-10-21","18:00:00",""
"7225143","19.0634","0.0003","11.83085","0.00018","32.1874","0.0007","90","","95.3131","0.0017","90","","7228.2","0.2","293","","293","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C6 H12.6 N16 O3.4 -","- C6 H12.8 N16 O3.4 -","- C120 H256 N320 O68 -","20","5","","Shang, Yu; Jin, Bo; Peng, Ru-Fang; Guo, Zhicheng; Liu, Qiangqiang; Zhao, Jun; Zhang, Qingchun","Nitrogen-rich Energetic Salts of 1H,1′H-5,5′-Bistetrazole-1,1′-diolate: Synthesis, Characterization, and Thermal Behaviors","RSC Adv.","2016","","","","","10.1039/C6RA10108A","","x-ray","1.54184","CuKα","","0.0886","0.0637","","","0.179","0.2054","","","","","","1.016","","","","has coordinates","193656","2020-10-21","18:00:00",""
"7225144","30.0277","0.0016","20.3021","0.0011","32.2979","0.0017","90","","92.92","0.001","90","","19664.1","1.8","100","2","100.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C165.8 H204.8 Fe6 Na8 O52.6 Si20 -","- C165.8 H204.8 Fe6 Na8 O52.6 Si20 -","- C663.2 H819.2 Fe24 Na32 O210.4 Si80 -","4","1","","Bilyachenko, Alexey; Levitsky, Mikhail; Yalymov, Alexey; Korlyukov, Aleksander; Vologzhanina, Anna V.; Kozlov, Yuriy N.; Shul'pina, Lidia S.; Nesterov, Dmytro S.; Pombeiro, Armando J. L.; Lamaty, Frédéric; Bantreil, Xavier; Fetre, Amandine; Liu, Diyang; Martinez, Jean; Long, Jérôme; Larionova, Joulia; Guari, Yannick; Trigub, Alexander; Zubavichus, Yan V.; Golub, Igor; Filippov, Oleg A.; shubina, elena; Shul'pin, Georgiy","A Heterometallic (Fe6Na8) Cage-like Silsesquioxane: Synthesis, Structure, Spin Glass Behavior and High Catalytic Activity","RSC Adv.","2016","","","","","10.1039/C6RA07081G","","","0.71073","MoKα","","0.1257","0.0688","","","0.1729","0.2094","","","","","","1.021","","","","has coordinates,has disorder","182837","2020-10-21","18:00:00",""
"7225145","9.2965","0.001","15.3442","0.0018","27.151","0.003","90","","91.243","0.003","90","","3872.1","0.8","150","2","150","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C35 H26 Co F12 Gd N3 O10 -","- C35 H26 Co F12 Gd N3 O10 -","- C140 H104 Co4 F48 Gd4 N12 O40 -","4","1","","Patrascu, Andrei A.; Calancea, Sergiu; Cassaro, Rafael A. Allão; Soriano, Stéphane; Madalan, Augustin M.; Maxim, Catalin; Novak, Miguel A.; Vaz, Maria G. F.; Andruh, Marius","One-dimensional coordination polymers constructed from binuclear 3d‒4f nodes and isonicotinato spacer","CrystEngComm","2016","18","25","4779","","10.1039/C6CE00729E","","","0.71073","MoKα","","0.0686","0.0468","","","0.0922","0.1001","","","","","","1.059","","","","has coordinates,has disorder","185208","2020-10-21","18:00:00",""
"7225146","18.2485","0.0006","15.8544","0.0006","28.0187","0.0009","90","","90","","90","","8106.3","0.5","150","2","150","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C35 H26 F12 Gd N3 Ni O10 -","- C35 H26 F12 Gd N3 Ni O10 -","- C280 H208 F96 Gd8 N24 Ni8 O80 -","8","1","","Patrascu, Andrei A.; Calancea, Sergiu; Cassaro, Rafael A. Allão; Soriano, Stéphane; Madalan, Augustin M.; Maxim, Catalin; Novak, Miguel A.; Vaz, Maria G. F.; Andruh, Marius","One-dimensional coordination polymers constructed from binuclear 3d‒4f nodes and isonicotinato spacer","CrystEngComm","2016","18","25","4779","","10.1039/C6CE00729E","","","0.71073","MoKα","","0.0513","0.0363","","","0.0798","0.0884","","","","","","0.964","","","","has coordinates,has disorder","185208","2020-10-21","18:00:00",""
"7225147","18.235","0.0011","15.8583","0.0011","28.0209","0.0019","90","","90","","90","","8103","0.9","293","2","293","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C35 H26 Dy F12 N3 Ni O10 -","- C35 H26 Dy F12 N3 Ni O10 -","- C280 H208 Dy8 F96 N24 Ni8 O80 -","8","1","","Patrascu, Andrei A.; Calancea, Sergiu; Cassaro, Rafael A. Allão; Soriano, Stéphane; Madalan, Augustin M.; Maxim, Catalin; Novak, Miguel A.; Vaz, Maria G. F.; Andruh, Marius","One-dimensional coordination polymers constructed from binuclear 3d‒4f nodes and isonicotinato spacer","CrystEngComm","2016","18","25","4779","","10.1039/C6CE00729E","","","0.71073","MoKα","","0.062","0.0358","","","0.0741","0.0849","","","","","","1.02","","","","has coordinates,has disorder","185208","2020-10-21","18:00:00",""
"7225148","8.7174","0.0019","8.617","0.002","12.019","0.003","90","","93.283","0.006","90","","901.4","0.4","90","","90","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C6 H8 Cd N8 Ni S6 -","- C6 H8 Cd N8 Ni S6 -","- C12 H16 Cd2 N16 Ni2 S12 -","2","0.5","","Xie, Kai-Ping; Xu, Wei-Jian; He, Chun-Ting; Huang, Bo; Du, Zi-Yi; Su, Yu-Jun; Zhang, Wei-Xiong; Chen, Xiao-Ming","Order‒disorder phase transition in the first thiocyanate-bridged double perovskite-type coordination polymer: [NH4]2[NiCd(SCN)6]","CrystEngComm","2016","18","24","4495","","10.1039/C6CE00898D","","","0.71073","MoKα","","0.052","0.0457","","","0.1007","0.1037","","","","","","0.965","","","","has coordinates","185219","2020-10-21","18:00:00",""
"7225149","8.7522","0.0004","8.6342","0.0004","12.141","0.0006","90","","90.136","0.004","90","","917.47","0.07","298","","298","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C6 H8 Cd N8 Ni S6 -","- C6 H8 Cd N8 Ni S6 -","- C12 H16 Cd2 N16 Ni2 S12 -","2","0.5","","Xie, Kai-Ping; Xu, Wei-Jian; He, Chun-Ting; Huang, Bo; Du, Zi-Yi; Su, Yu-Jun; Zhang, Wei-Xiong; Chen, Xiao-Ming","Order‒disorder phase transition in the first thiocyanate-bridged double perovskite-type coordination polymer: [NH4]2[NiCd(SCN)6]","CrystEngComm","2016","18","24","4495","","10.1039/C6CE00898D","","","0.71073","MoKα","","0.0265","0.0255","","","0.0651","0.0659","","","","","","1.035","","","","has coordinates,has disorder","185219","2020-10-21","18:00:00",""
"7225150","10.6574","0.0016","14.801","0.002","7.7136","0.0011","90","","97.635","0.003","90","","1206","0.3","290","2","290","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C10 H8 Br1.35 Cl0.65 N2 Zn -","- C10 H8 Br1.346 Cl0.654 N2 Zn -","- C40 H32 Br5.384 Cl2.616 N8 Zn4 -","4","0.5","","Nauha, Elisa; Naumov, Panče; Lusi, Matteo","Fine-tuning of a thermosalient phase transition by solid solutions","CrystEngComm","2016","18","25","4699","","10.1039/C6CE00762G","","","0.71073","MoKα","","0.0864","0.0418","","","0.0769","0.088","","","","","","1.032","","","","has coordinates,has disorder","185209","2020-10-21","18:00:00",""
"7225151","10.7037","0.0016","14.806","0.002","7.7392","0.0012","90","","97.673","0.003","90","","1215.5","0.3","290","2","290","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C10 H8 Br1.51 Cl0.49 N2 Zn -","- C10 H8 Br1.512 Cl0.488 N2 Zn -","- C40 H32 Br6.048 Cl1.952 N8 Zn4 -","4","0.5","","Nauha, Elisa; Naumov, Panče; Lusi, Matteo","Fine-tuning of a thermosalient phase transition by solid solutions","CrystEngComm","2016","18","25","4699","","10.1039/C6CE00762G","","","0.71073","MoKα","","0.0425","0.0289","","","0.0691","0.0738","","","","","","1.077","","","","has coordinates,has disorder","185209","2020-10-21","18:00:00",""
"7225152","10.755","0.006","14.818","0.008","7.775","0.004","90","","97.568","0.009","90","","1228.3","1.1","300","2","300","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C10 H8 Br1.75 Cl0.25 N2 Zn -","- C10 H8 Br1.754 Cl0.246 N2 Zn -","- C40 H32 Br7.016 Cl0.984 N8 Zn4 -","4","0.5","","Nauha, Elisa; Naumov, Panče; Lusi, Matteo","Fine-tuning of a thermosalient phase transition by solid solutions","CrystEngComm","2016","18","25","4699","","10.1039/C6CE00762G","","","0.71073","MoKα","","0.0587","0.0313","","","0.0633","0.0706","","","","","","1.042","","","","has coordinates,has disorder","185209","2020-10-21","18:00:00",""
"7225153","7.5299","0.0006","8.7931","0.0007","9.0498","0.0007","112.835","0.0019","94.457","0.002","95.707","0.002","545.06","0.08","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C10 H8 Cl2 N2 Zn -","- C10 H8 Cl2 N2 Zn -","- C20 H16 Cl4 N4 Zn2 -","2","1","","Nauha, Elisa; Naumov, Panče; Lusi, Matteo","Fine-tuning of a thermosalient phase transition by solid solutions","CrystEngComm","2016","18","25","4699","","10.1039/C6CE00762G","","","0.71073","MoKα","","0.0309","0.0244","","","0.0557","0.0577","","","","","","1.038","","","","has coordinates","185209","2020-10-21","18:00:00",""
"7225154","7.5668","0.001","8.8117","0.0011","9.083","0.0011","113.005","0.0018","94.6504","0.0019","95.787","0.0019","549.79","0.12","99","2","99","2","","","","","","","","6","P -1","-P 1","2","","","","- C10 H8 Br0.19 Cl1.81 N2 Zn -","- C10 H8 Br0.1859 Cl1.8141 N2 Zn -","- C20 H16 Br0.3718 Cl3.6282 N4 Zn2 -","2","1","","Nauha, Elisa; Naumov, Panče; Lusi, Matteo","Fine-tuning of a thermosalient phase transition by solid solutions","CrystEngComm","2016","18","25","4699","","10.1039/C6CE00762G","","","0.71073","MoKα","","0.0247","0.0201","","","0.0471","0.0484","","","","","","1.073","","","","has coordinates,has disorder","185209","2020-10-21","18:00:00",""
"7225155","7.6518","0.0005","8.8233","0.0006","9.1333","0.0006","113.523","0.0013","95.1819","0.0015","95.9954","0.0015","556.37","0.06","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C10 H8 Br0.62 Cl1.38 N2 Zn -","- C10 H8 Br0.6191 Cl1.3809 N2 Zn -","- C20 H16 Br1.2382 Cl2.7618 N4 Zn2 -","2","1","","Nauha, Elisa; Naumov, Panče; Lusi, Matteo","Fine-tuning of a thermosalient phase transition by solid solutions","CrystEngComm","2016","18","25","4699","","10.1039/C6CE00762G","","","0.71073","MoKα","","0.0209","0.0175","","","0.0436","0.0448","","","","","","1.038","","","","has coordinates,has disorder","185209","2020-10-21","18:00:00",""
"7225156","7.6883","0.0008","8.8529","0.0009","9.1701","0.0009","113.7","0.0013","95.3265","0.0014","95.9991","0.0014","562.12","0.1","99","2","99","2","","","","","","","","6","P -1","-P 1","2","","","","- C10 H8 Br0.88 Cl1.12 N2 Zn -","- C10 H8 Br0.8808 Cl1.1192 N2 Zn -","- C20 H16 Br1.7616 Cl2.2384 N4 Zn2 -","2","1","","Nauha, Elisa; Naumov, Panče; Lusi, Matteo","Fine-tuning of a thermosalient phase transition by solid solutions","CrystEngComm","2016","18","25","4699","","10.1039/C6CE00762G","","","0.71073","MoKα","","0.0202","0.0175","","","0.0441","0.045","","","","","","1.066","","","","has coordinates,has disorder","185209","2020-10-21","18:00:00",""
"7225157","7.7335","0.0013","8.9213","0.0015","9.2304","0.0016","114.064","0.004","95.245","0.004","96.005","0.004","571.96","0.17","99","2","99","2","","","","","","","","6","P -1","-P 1","2","","","","- C10 H8 Br1.37 Cl0.64 N2 Zn -","- C10 H8 Br1.365 Cl0.635 N2 Zn -","- C20 H16 Br2.73 Cl1.27 N4 Zn2 -","2","1","","Nauha, Elisa; Naumov, Panče; Lusi, Matteo","Fine-tuning of a thermosalient phase transition by solid solutions","CrystEngComm","2016","18","25","4699","","10.1039/C6CE00762G","","","0.71073","MoKα","","0.0522","0.035","","","0.0785","0.0811","","","","","","0.957","","","","has coordinates,has disorder","185209","2020-10-21","18:00:00",""
"7225158","7.785","0.004","8.976","0.005","9.255","0.005","114.285","0.007","95.568","0.007","95.95","0.008","579.3","0.5","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C10 H8 Br1.71 Cl0.29 N2 Zn -","- C10 H8 Br1.711 Cl0.289 N2 Zn -","- C20 H16 Br3.422 Cl0.578 N4 Zn2 -","2","1","","Nauha, Elisa; Naumov, Panče; Lusi, Matteo","Fine-tuning of a thermosalient phase transition by solid solutions","CrystEngComm","2016","18","25","4699","","10.1039/C6CE00762G","","","0.71073","MoKα","","0.095","0.0634","","","0.1482","0.166","","","","","","1.085","","","","has coordinates,has disorder","185209","2020-10-21","18:00:00",""
"7225159","7.882","0.006","9.046","0.007","9.355","0.007","114.689","0.014","95.786","0.016","95.861","0.015","595.2","0.8","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C10 H8 Br2 N2 Zn -","- C10 H8 Br2 N2 Zn -","- C20 H16 Br4 N4 Zn2 -","2","1","","Nauha, Elisa; Naumov, Panče; Lusi, Matteo","Fine-tuning of a thermosalient phase transition by solid solutions","CrystEngComm","2016","18","25","4699","","10.1039/C6CE00762G","","","0.71073","MoKα","","0.1121","0.0719","","","0.1996","0.2251","","","","","","1.047","","","","has coordinates","185209","2020-10-21","18:00:00",""
"7225160","10.6281","0.0012","14.7546","0.0016","7.6742","0.0008","90","","97.2146","0.0016","90","","1193.9","0.2","320","2","320","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C10 H8 Br0.9 Cl1.1 N2 Zn -","- C10 H8 Br0.9 Cl1.1 N2 Zn -","- C40 H32 Br3.6 Cl4.4 N8 Zn4 -","4","0.5","","Nauha, Elisa; Naumov, Panče; Lusi, Matteo","Fine-tuning of a thermosalient phase transition by solid solutions","CrystEngComm","2016","18","25","4699","","10.1039/C6CE00762G","","","0.71073","MoKα","","0.0461","0.0354","","","0.0809","0.0846","","","","","","1.165","","","","has coordinates,has disorder","185209","2020-10-21","18:00:00",""
"7225161","10.7082","0.0005","14.7769","0.0007","7.7285","0.0003","90","","97.3492","0.0014","90","","1212.87","0.09","321","2","321","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C10 H8 Br1.36 Cl0.64 N2 Zn -","- C10 H8 Br1.358 Cl0.642 N2 Zn -","- C40 H32 Br5.432 Cl2.568 N8 Zn4 -","4","0.5","","Nauha, Elisa; Naumov, Panče; Lusi, Matteo","Fine-tuning of a thermosalient phase transition by solid solutions","CrystEngComm","2016","18","25","4699","","10.1039/C6CE00762G","","","0.71073","MoKα","","0.05","0.0289","","","0.0666","0.0732","","","","","","1.035","","","","has coordinates,has disorder","185209","2020-10-21","18:00:00",""
"7225162","10.826","0.003","14.85","0.004","7.813","0.002","90","","97.435","0.005","90","","1245.5","0.6","320","2","320","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C10 H8 Br1.77 Cl0.23 N2 Zn -","- C10 H8 Br1.766 Cl0.234 N2 Zn -","- C40 H32 Br7.064 Cl0.936 N8 Zn4 -","4","0.5","","Nauha, Elisa; Naumov, Panče; Lusi, Matteo","Fine-tuning of a thermosalient phase transition by solid solutions","CrystEngComm","2016","18","25","4699","","10.1039/C6CE00762G","","","0.71073","MoKα","","0.0586","0.0313","","","0.0696","0.0782","","","","","","1.015","","","","has coordinates,has disorder","185209","2020-10-21","18:00:00",""
"7225163","10.8238","0.0018","14.807","0.002","7.8103","0.0012","90","","97.425","0.003","90","","1241.2","0.3","320","2","320","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C10 H8 Br2 N2 Zn -","- C10 H8 Br2 N2 Zn -","- C40 H32 Br8 N8 Zn4 -","4","0.5","","Nauha, Elisa; Naumov, Panče; Lusi, Matteo","Fine-tuning of a thermosalient phase transition by solid solutions","CrystEngComm","2016","18","25","4699","","10.1039/C6CE00762G","","","0.71073","MoKα","","0.0697","0.0351","","","0.0772","0.0886","","","","","","1.026","","","","has coordinates","185209","2020-10-21","18:00:00",""
"7225164","9.3081","0.0019","14.1","0.003","18.227","0.004","90","","96.81","0.03","90","","2375.3","0.9","223","2","223","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","{[Zn(1,3-BDC)(abimb)]?H2O}n","","- C26 H21 N5 O5 Zn -","- C26 H21 N5 O5 Zn -","- C104 H84 N20 O20 Zn4 -","4","1","","Cheng, Hong-Jian; Tang, Xiao-Yan; Yuan, Rong-Xin; Lang, Jian-Ping","Structural diversity of Zn(ii) coordination polymers based on bis-imidazolyl ligands and 5-R-1,3-benzenedicarboxylate and their photocatalytic properties","CrystEngComm","2016","18","25","4851","","10.1039/C6CE00768F","","","0.71073","MoKα","","0.085","0.0654","","","0.1388","0.1505","","","","","","1.016","","","","has coordinates","185211","2020-10-21","18:00:00",""
"7225165","11.976","0.002","13.901","0.003","17.491","0.006","90","","119.05","0.02","90","","2545.5","1.2","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","[Zn(5-Br-1,3-BDC)(bimcz)]n","","- C26 H16 Br N5 O4 Zn -","- C26 H16 Br N5 O4 Zn -","- C104 H64 Br4 N20 O16 Zn4 -","4","1","","Cheng, Hong-Jian; Tang, Xiao-Yan; Yuan, Rong-Xin; Lang, Jian-Ping","Structural diversity of Zn(ii) coordination polymers based on bis-imidazolyl ligands and 5-R-1,3-benzenedicarboxylate and their photocatalytic properties","CrystEngComm","2016","18","25","4851","","10.1039/C6CE00768F","","","0.71073","MoKα","","0.2732","0.1205","","","0.1937","0.2538","","","","","","1.074","","","","has coordinates","185211","2020-10-21","18:00:00",""
"7225166","7.2124","","29.0912","","11.686","","90","","106.181","","90","","2354.8","","119.8","0.3","119.8","","","","","","","","","5","P 1 21 1","P 2yb","4","Phase 1","Sitagliptin L-tartrate Phase 1","","- C40 H44 F12 N10 O15 -","- C40 H44 F12 N10 O15 -","- C80 H88 F24 N20 O30 -","2","1","","Tieger, Eszter; Kiss, Violetta; Pokol, György; Finta, Zoltán; Dušek, Michal; Rohlíček, Jan; Skořepová, Eliška; Brázda, Petr","Studies on the crystal structure and arrangement of water in sitagliptinl-tartrate hydrates","CrystEngComm","2016","18","21","3819","","10.1039/C6CE00322B","","x-ray","1.54184","CuKα","","0.052","0.0438","","","0.1042","0.1141","","","","1.22","1.22","1.22","","","","has coordinates","185248","2020-10-21","18:00:00",""
"7225167","7.21076","0.00011","11.66322","0.00014","15.64522","0.00015","99.3299","0.0008","98.8646","0.0013","105.99","0.0012","1220.43","0.03","293","","293","","","","","","","","","5","P 1","P 1","1","Phase 2","Sitagliptin L-tartrate Phase 2","","- C20 H21 F6 N5 O7 -","- C20 H15 F6 N5 O7.5 -","- C40 H30 F12 N10 O15 -","2","2","","Tieger, Eszter; Kiss, Violetta; Pokol, György; Finta, Zoltán; Dušek, Michal; Rohlíček, Jan; Skořepová, Eliška; Brázda, Petr","Studies on the crystal structure and arrangement of water in sitagliptinl-tartrate hydrates","CrystEngComm","2016","18","21","3819","","10.1039/C6CE00322B","powder diffraction","x-ray","1.5418","CuKα","","0.0583","0.0583","","0.0759","0.0759","","","","5.91","","","","","","","has coordinates","185248","2020-10-21","18:00:00",""
"7225168","45.2368","0.0004","8.2403","0.0004","7.1817","0.0018","90","","95.326","0.004","90","","2665.5","0.7","119.98","0.1","120","","","","","","","","","5","C 1 2 1","C 2y","5","tetrahydrate","Sitagliptin L-tartrate tetrahydrate","","- C20 H20 F6 N5 O11.227 -","- C20 H20 F6 N5 O11.22 -","- C80 H80 F24 N20 O44.88 -","4","1","","Tieger, Eszter; Kiss, Violetta; Pokol, György; Finta, Zoltán; Dušek, Michal; Rohlíček, Jan; Skořepová, Eliška; Brázda, Petr","Studies on the crystal structure and arrangement of water in sitagliptinl-tartrate hydrates","CrystEngComm","2016","18","21","3819","","10.1039/C6CE00322B","","x-ray","1.54184","CuKα","","0.0716","0.0669","","","0.1678","0.1707","","","","2.51","2.51","2.42","","","","has coordinates","185248","2020-10-21","18:00:00",""
"7225169","9.6555","0.0004","10.5975","0.0005","18.1996","0.0008","86.088","0.002","85.13","0.002","68.108","0.002","1720.38","0.13","296","2","296","2","","","","","","","syntheised","3","P -1","-P 1","2","1,4-Di(17-H-tetrabenzo[a,c,g,i]fluorenemethyl)benzene","1,4-Di(tetrabenzo[a,c,g,i]fluorenemethyl)benzene","","- C45 H45 O -","- C45 H45 O -","- C90 H90 O2 -","2","1","","Sampath, Srinivasan; Boopathi, A. A.; Mandal, A. B.","""Bottom-up"" self-assembly and ""cold crystallization"" of butterfly shaped tetrabenzofluorene molecules.","Physical chemistry chemical physics : PCCP","2016","18","31","21251","21258","10.1039/c6cp02662a","","","0.71073","MoKα","","0.1393","0.0706","","","0.1714","0.2082","","","","","","1.043","","","","has coordinates","185672","2020-10-21","18:00:00",""
"7225170","28.6573","0.0003","28.6573","0.0003","28.6573","0.0003","90","","90","","90","","23534.5","0.4","293","2","293","2","","","","","","","","5","I m -3","-I 2 2 3","204","","","","- C50 H68 N14 O16 Zn2 -","- C35 H28 N9 O9 Zn2 -","- C420 H336 N108 O108 Zn24 -","12","0.25","","Han, Yun-Hu; Zhou, Zhong-Yuan; Tian, Chong-Bin; Du, Shao-Wu","A dual-walled cage MOF as an efficient heterogeneous catalyst for the conversion of CO2under mild and co-catalyst free conditions","Green Chem.","2016","18","14","4086","","10.1039/C6GC00413J","","","0.71073","MoKα","","0.0738","0.0726","","","0.2318","0.2349","","","","","","1.302","","","","has coordinates","185559","2020-10-21","18:00:00",""
"7225171","9.861","0.002","28.306","0.006","10.024","0.002","90","","102.863","0.004","90","","2727.7","1","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C30 H23 N3 O5 Zn -","- C30 H23 N3 O5 Zn -","- C120 H92 N12 O20 Zn4 -","4","1","","Yang, Yi; Shen, Kang; Lin, Jun-zhong; Zhou, Yong; Liu, Qiao-yun; Hang, Cheng; Abdelhamid, Hani Nasser; Zhang, Zhen-qin; Chen, Hong","A Zn-MOF constructed from electron-rich π-conjugated ligands with an interpenetrated graphene-like net as an efficient nitroaromatic sensor","RSC Adv.","2016","6","51","45475","","10.1039/C6RA00524A","","","0.71073","MoKα","","0.0613","0.0452","","","0.1277","0.1348","","","","","","1.035","","","","has coordinates","182881","2020-10-21","18:00:00",""
"7225172","7.0996","0.0002","17.4669","0.0006","11.5838","0.0004","90","","96.25","0.001","90","","1427.95","0.08","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C16 H17 O6.5 -","- C16 H16 O6.5 -","- C64 H64 O26 -","4","2","","Luo, Qi; Di, Lei; Yang, Xiao-Hua; Cheng, Yong-Xian","Applanatumols A and B, meroterpenoids with unprecedented skeletons from Ganoderma applanatum","RSC Adv.","2016","6","51","45963","","10.1039/C6RA05148K","","","1.54178","CuKα","","0.0539","0.053","","","0.1452","0.1466","","","","","","1.041","","","","has coordinates","194155","2020-10-21","18:00:00",""
"7225173","12.1488","0.001","10.8376","0.0008","12.125","0.0009","90","","107.254","0.003","90","","1524.6","0.2","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C11 H17 N5 O3 Sn -","- C11 H17 N5 O3 Sn -","- C44 H68 N20 O12 Sn4 -","4","1","","Kundu, Subrata; Nagapradeep, N.; Mohapatra, Balaram; Biswas, Sourav; Verma, Sandeep; Chandrasekhar, Vadapalli","Organostannoxane-supported nucleobase arrays: synthesis and supramolecular structures of polymeric and molecular organotin complexes containing guanine, uracil and 2-aminopurine","CrystEngComm","2016","18","25","4807","","10.1039/C6CE00719H","","","0.71073","MoKα","","0.0637","0.0324","","","0.0617","0.0703","","","","","","1.023","","","","has coordinates","185206","2020-10-21","18:00:00",""
"7225174","13.03","0.005","11.026","0.005","17.428","0.005","90","0.005","100.716","0.005","90","0.005","2460.2","1.6","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H35 N5 O3 Sn -","- C20 H35 N5 O3 Sn -","- C80 H140 N20 O12 Sn4 -","4","1","","Kundu, Subrata; Nagapradeep, N.; Mohapatra, Balaram; Biswas, Sourav; Verma, Sandeep; Chandrasekhar, Vadapalli","Organostannoxane-supported nucleobase arrays: synthesis and supramolecular structures of polymeric and molecular organotin complexes containing guanine, uracil and 2-aminopurine","CrystEngComm","2016","18","25","4807","","10.1039/C6CE00719H","","","0.71069","MoKα","","0.0794","0.0487","","","0.1343","0.1475","","","","","","1.043","","","","has coordinates","185206","2020-10-21","18:00:00",""
"7225175","12.117","0.005","9.762","0.005","12.936","0.005","90","","103.504","0.005","90","","1487.8","1.1","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C11 H17 N5 O3 Sn -","- C11 H17 N5 O3 Sn -","- C44 H68 N20 O12 Sn4 -","4","1","","Kundu, Subrata; Nagapradeep, N.; Mohapatra, Balaram; Biswas, Sourav; Verma, Sandeep; Chandrasekhar, Vadapalli","Organostannoxane-supported nucleobase arrays: synthesis and supramolecular structures of polymeric and molecular organotin complexes containing guanine, uracil and 2-aminopurine","CrystEngComm","2016","18","25","4807","","10.1039/C6CE00719H","","","0.71069","MoKα","","0.0455","0.0338","","","0.0782","0.0981","","","","","","1.118","","","","has coordinates","185206","2020-10-21","18:00:00",""
"7225176","16.6335","0.0008","18.0945","0.0009","15.1131","0.0008","90","","111.797","0.001","90","","4223.5","0.4","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C34 H62 N4 O9 Sn2 -","- C34 H62 N4 O9 Sn2 -","- C136 H248 N16 O36 Sn8 -","4","1","","Kundu, Subrata; Nagapradeep, N.; Mohapatra, Balaram; Biswas, Sourav; Verma, Sandeep; Chandrasekhar, Vadapalli","Organostannoxane-supported nucleobase arrays: synthesis and supramolecular structures of polymeric and molecular organotin complexes containing guanine, uracil and 2-aminopurine","CrystEngComm","2016","18","25","4807","","10.1039/C6CE00719H","","","0.71073","MoKα","","0.0408","0.0341","","","0.0827","0.0863","","","","","","1.043","","","","has coordinates","185206","2020-10-21","18:00:00",""
"7225177","10.7847","0.0006","7.4633","0.0004","19.1432","0.001","90","","100.684","0.001","90","","1514.11","0.14","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C11 H19 N5 O3 Sn -","- C11 H19 N5 O3 Sn -","- C44 H76 N20 O12 Sn4 -","4","1","","Kundu, Subrata; Nagapradeep, N.; Mohapatra, Balaram; Biswas, Sourav; Verma, Sandeep; Chandrasekhar, Vadapalli","Organostannoxane-supported nucleobase arrays: synthesis and supramolecular structures of polymeric and molecular organotin complexes containing guanine, uracil and 2-aminopurine","CrystEngComm","2016","18","25","4807","","10.1039/C6CE00719H","","","0.71073","MoKα","","0.0251","0.0223","","","0.0568","0.0599","","","","","","1.071","","","","has coordinates","185206","2020-10-21","18:00:00",""
"7225178","24.5009","0.0007","21.006","0.0006","35.5102","0.0011","90","","90","","90","","18275.9","0.9","293","2","293","2","","","","","","","","8","P b c a","-P 2ac 2ab","61","","","","- C10 H53 Ce Fe2 N6 O87 P2 W20 -","- C10 Ce0.99 Fe2 N6 O87 P2 W20 -","- C80 Ce7.92 Fe16 N48 O696 P16 W160 -","8","1","","Xue, Han; Zhang, Zhong; Pan, Rui; Yang, Bai-Feng; Liu, Hong-Sheng; Yang, Guo-Yu","Supramolecular nanotubes constructed from 3d‒4f heterometallic sandwiched polyoxotungstate dimers","CrystEngComm","2016","18","24","4643","","10.1039/C6CE00755D","","","0.71073","MoKα","","0.1415","0.0726","","","0.1401","0.1646","","","","","","1.064","","","","has coordinates","185214","2020-10-21","18:00:00",""
"7225179","24.4846","0.0014","21.2236","0.0013","35.6854","0.0016","90","","90","","90","","18544","1.8","293","2","293","2","","","","","","","","8","P b c a","-P 2ac 2ab","61","","","","- C10 H57 Fe2 La N6 O89 P2 W20 -","- C10 Fe2 La N6 O84 P2 W20 -","- C80 Fe16 La8 N48 O672 P16 W160 -","8","1","","Xue, Han; Zhang, Zhong; Pan, Rui; Yang, Bai-Feng; Liu, Hong-Sheng; Yang, Guo-Yu","Supramolecular nanotubes constructed from 3d‒4f heterometallic sandwiched polyoxotungstate dimers","CrystEngComm","2016","18","24","4643","","10.1039/C6CE00755D","","","0.71073","MoKα","","0.2144","0.0865","","","0.1245","0.151","","","","","","1.036","","","","has coordinates","185214","2020-10-21","18:00:00",""
"7225180","31.9258","0.0011","31.9258","0.0011","20.7484","0.0015","90","","90","","120","","18314.7","1.6","293","2","293","2","","","","","","","","8","P -3 c 1","-P 3 2""c","165","","","","- C12 H97 Fe2 N8 O105 P2 Sm W20 -","- C4 Fe2 O80 P2 Sm W20 -","- C24 Fe12 O480 P12 Sm6 W120 -","6","0.5","","Xue, Han; Zhang, Zhong; Pan, Rui; Yang, Bai-Feng; Liu, Hong-Sheng; Yang, Guo-Yu","Supramolecular nanotubes constructed from 3d‒4f heterometallic sandwiched polyoxotungstate dimers","CrystEngComm","2016","18","24","4643","","10.1039/C6CE00755D","","","0.71073","MoKα","","0.1255","0.0729","","","0.1463","0.1572","","","","","","1.014","","","","has coordinates","185214","2020-10-21","18:00:00",""
"7225181","31.9128","0.001","31.9128","0.001","20.7587","0.0009","90","","90","","120","","18308.8","1.1","293","2","293","2","","","","","","","","8","P -3 c 1","-P 3 2""c","165","","","","- C12 H89 Fe2 N8 O101 P2 Tb W20 -","- C8 Fe2 N4 O94.6667 P2 Tb W20 -","- C48 Fe12 N24 O568 P12 Tb6 W120 -","6","0.5","","Xue, Han; Zhang, Zhong; Pan, Rui; Yang, Bai-Feng; Liu, Hong-Sheng; Yang, Guo-Yu","Supramolecular nanotubes constructed from 3d‒4f heterometallic sandwiched polyoxotungstate dimers","CrystEngComm","2016","18","24","4643","","10.1039/C6CE00755D","","","0.71073","MoKα","","0.1124","0.0653","","","0.1512","0.1675","","","","","","1.046","","","","has coordinates","185214","2020-10-21","18:00:00",""
"7225182","28.6873","0.0009","28.6873","0.0009","15.9087","0.001","90","","90","","120","","11338.2","0.9","120","0.1","120","0.1","","","","","","","","5","R -3","-R 3","148","","dodeca(acetato)-hexa(chrysazinato)-hexa(N,N-dimethylformamide)-dodeca-cobalt(II) hexa(N,N'-dimethylformamide) solvate","","- C144 H156 Co12 N12 O60 -","- C126 H114 Co12 N6 O54 -","- C378 H342 Co36 N18 O162 -","3","","","Beldon, Patrick J.; Henke, Sebastian; Monserrat, Bartomeu; Tominaka, Satoshi; Stock, Norbert; Cheetham, Anthony K.","Transition metal coordination complexes of chrysazin","CrystEngComm","2016","18","27","5121","","10.1039/C5CE00792E","","x-ray","0.71073","MoKα","","0.1194","0.0538","","","0.1141","0.1331","","","","","","0.901","","","","has coordinates","185227","2020-10-21","18:00:00",""
"7225183","12.3354","0.0005","12.8534","0.0007","14.3146","0.0005","91.265","0.004","97.978","0.003","94.724","0.004","2238.71","0.17","121","1","121","1","","","","","","","","5","P -1","-P 1","2","","di(acetato)-di(chrysazinato)-pyridine-tri(N,N-dimethylformamide)-dodeca-cobalt(II) hexa(N,N-dimethylformamide) solvate","","- C46 H44 Co3 N4 O15 -","- C46 H44 Co3 N4 O15 -","- C92 H88 Co6 N8 O30 -","2","1","","Beldon, Patrick J.; Henke, Sebastian; Monserrat, Bartomeu; Tominaka, Satoshi; Stock, Norbert; Cheetham, Anthony K.","Transition metal coordination complexes of chrysazin","CrystEngComm","2016","18","27","5121","","10.1039/C5CE00792E","","","0.7107","MoKα","","0.0401","0.0298","","","0.0675","0.0722","","","","","","1.02","","","","has coordinates","185227","2020-10-21","18:00:00",""
"7225184","15.6278","0.0016","15.6996","0.0015","29.048","0.003","90.9201","0.001","104.139","0.0016","90.234","0.0013","6909.9","1.2","100","","100","","","","","","","","","5","P -1","-P 1","2","","di[tetra(chrysazinato)-tetra(N,N-dimethylformamide)-tetra-cobalt(II)] di(N,N-dimethylformamide) solvate hemihydrate","","- C143.05 H120.45 Co8 N10.35 O42.85 -","- C142 H118 Co8 N10 O42.5 -","- C284 H236 Co16 N20 O85 -","2","1","","Beldon, Patrick J.; Henke, Sebastian; Monserrat, Bartomeu; Tominaka, Satoshi; Stock, Norbert; Cheetham, Anthony K.","Transition metal coordination complexes of chrysazin","CrystEngComm","2016","18","27","5121","","10.1039/C5CE00792E","","","0.71075","MoKα","","0.0696","0.0627","","","0.1777","0.1829","","","","","","1.07","","","","has coordinates,has disorder","185227","2020-10-21","18:00:00",""
"7225185","13.5308","0.0003","7.7288","0.0002","19.6854","0.0004","90","","99.38","0.002","90","","2031.11","0.08","120","","120","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","di(chrysazinato)-di-copper(II)","","- C28 H12 Cu2 O8 -","- C28 H12 Cu2 O8 -","- C112 H48 Cu8 O32 -","4","1","","Beldon, Patrick J.; Henke, Sebastian; Monserrat, Bartomeu; Tominaka, Satoshi; Stock, Norbert; Cheetham, Anthony K.","Transition metal coordination complexes of chrysazin","CrystEngComm","2016","18","27","5121","","10.1039/C5CE00792E","","","1.5418","CuKα","","0.0364","0.0314","","","0.088","0.0921","","","","","","1.066","","","","has coordinates","185227","2020-10-21","18:00:00",""
"7225186","40.04","0.03","40.04","0.03","3.674","0.003","90","","90","","120","","5101","7","100","2","100","2","","","","","","","","5","R -3","-R 3","148","","di(chrysazinato)di-copper(II) N,N'-dimethylformamide solvate","","- C29.33 H15.11 Cu2 N0.44 O8.44 -","- C28 H12 Cu2 O8 -","- C252 H108 Cu18 O72 -","9","","","Beldon, Patrick J.; Henke, Sebastian; Monserrat, Bartomeu; Tominaka, Satoshi; Stock, Norbert; Cheetham, Anthony K.","Transition metal coordination complexes of chrysazin","CrystEngComm","2016","18","27","5121","","10.1039/C5CE00792E","","","0.6889","synchrotron","","0.0528","0.0503","","","0.1297","0.1317","","","","","","1.145","","","","has coordinates","185227","2020-10-21","18:00:00",""
"7225187","7.90242","0.00016","19.4909","0.0004","18.5266","0.0004","90","","90","","90","","2853.56","0.1","119.95","0.1","119.95","0.1","","","","","","","","5","P c a 21","P 2c -2ac","29","","di(chrysazinato)-bis(dimethylsulfoxide)-di-copper(II)","","- C32 H24 Cu2 O10 S2 -","- C32 H24 Cu2 O10 S2 -","- C128 H96 Cu8 O40 S8 -","4","1","","Beldon, Patrick J.; Henke, Sebastian; Monserrat, Bartomeu; Tominaka, Satoshi; Stock, Norbert; Cheetham, Anthony K.","Transition metal coordination complexes of chrysazin","CrystEngComm","2016","18","27","5121","","10.1039/C5CE00792E","","x-ray","1.54184","CuKα","","0.0402","0.0378","","","0.0996","0.1019","","","","","","1.055","","","","has coordinates,has disorder","185227","2020-10-21","18:00:00",""
"7225188","10.0131","0.0004","8.4169","0.0004","18.1414","0.0008","90","","100.448","0.004","90","","1503.59","0.12","269.95","0.1","269.95","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C34 H28 Fe N2 O10 -","- C34 H28 Fe N2 O10 -","- C68 H56 Fe2 N4 O20 -","2","0.5","","Beldon, Patrick J.; Henke, Sebastian; Monserrat, Bartomeu; Tominaka, Satoshi; Stock, Norbert; Cheetham, Anthony K.","Transition metal coordination complexes of chrysazin","CrystEngComm","2016","18","27","5121","","10.1039/C5CE00792E","","","1.54184","CuKα","","0.0444","0.0385","","","0.1055","0.1113","","","","","","1.039","","","","has coordinates","185227","2020-10-21","18:00:00",""
"7225189","8.2927","0.0004","15.5166","0.0007","15.8042","0.0006","118.226","0.004","92.344","0.004","92.239","0.004","1786.34","0.15","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","tri(chrysazinato)-di-iron(III) N,N-dimethylformamide solvate hemihydrate","","- C45 H26 Fe2 N O13.5 -","- C45 H26 Fe2 N O13.5 -","- C90 H52 Fe4 N2 O27 -","2","1","","Beldon, Patrick J.; Henke, Sebastian; Monserrat, Bartomeu; Tominaka, Satoshi; Stock, Norbert; Cheetham, Anthony K.","Transition metal coordination complexes of chrysazin","CrystEngComm","2016","18","27","5121","","10.1039/C5CE00792E","","x-ray","1.54184","CuKα","","0.0619","0.0516","","","0.1349","0.144","","","","","","1.022","","","","has coordinates","185227","2020-10-21","18:00:00",""
"7225190","28.6809","0.0007","28.6809","0.0007","15.8967","0.0004","90","","90","","120","","11324.6","0.5","120.1","0.14","120.1","0.14","","","","","","","","5","R -3","-R 3","148","","dodeca(acetato)-hexa(chrysazinato)-hexa(N,N-dimethylformamide)-tetra-cobalt(II) N,N-dimethylformamide solvate","","- C144 H156 N12 Ni12 O60 -","- C126 H114 N6 Ni12 O54 -","- C378 H342 N18 Ni36 O162 -","3","","","Beldon, Patrick J.; Henke, Sebastian; Monserrat, Bartomeu; Tominaka, Satoshi; Stock, Norbert; Cheetham, Anthony K.","Transition metal coordination complexes of chrysazin","CrystEngComm","2016","18","27","5121","","10.1039/C5CE00792E","","x-ray","1.54184","CuKα","","0.0319","0.0291","","","0.0831","0.0847","","","","","","1.048","","","","has coordinates","185227","2020-10-21","18:00:00",""
"7225191","9.7302","0.0006","13.4388","0.0005","17.0848","0.0007","95.504","0.003","97.873","0.004","95.172","0.004","2190.67","0.18","200","0.14","200","0.14","","","","","","","","5","P -1","-P 1","2","","tetra(acetato)-tetra(chrysazinato)-tetra(N,N-dimethylformamide)-hexa-nickel(II) bis(N,N-dimethylformamide) solvate","","- C88 H92 N8 Ni6 O32 -","- C88 H92 N8 Ni6 O32 -","- C88 H92 N8 Ni6 O32 -","1","0.5","","Beldon, Patrick J.; Henke, Sebastian; Monserrat, Bartomeu; Tominaka, Satoshi; Stock, Norbert; Cheetham, Anthony K.","Transition metal coordination complexes of chrysazin","CrystEngComm","2016","18","27","5121","","10.1039/C5CE00792E","","x-ray","1.54184","CuKα","","0.0719","0.0598","","","0.166","0.181","","","","","","1.025","","","","has coordinates,has disorder","185227","2020-10-21","18:00:00",""
"7225192","9.578","0.0007","11.0933","0.0008","20.1508","0.0014","90","","99.517","0.006","90","","2111.6","0.3","100","","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C40 H36 N8 Ni2 O20 -","- C40 H36 N8 Ni2 O20 -","- C80 H72 N16 Ni4 O40 -","2","0.5","","Beldon, Patrick J.; Henke, Sebastian; Monserrat, Bartomeu; Tominaka, Satoshi; Stock, Norbert; Cheetham, Anthony K.","Transition metal coordination complexes of chrysazin","CrystEngComm","2016","18","27","5121","","10.1039/C5CE00792E","","","0.71075","MoKα","","0.1422","0.0765","","","0.1479","0.1696","","","","","","1.135","","","","has coordinates","185227","2020-10-21","18:00:00",""
"7225193","9.422","0.0019","10.196","0.002","25.032","0.005","90","","96.37","0.03","90","","2389.9","0.8","298","2","298","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C54 H36 N2 O17 Zn3 -","- C54 H36 N2 O17 Zn3 -","- C108 H72 N4 O34 Zn6 -","2","1","","Hu, Shuzhi; You, Maolin; Chen, Shuhuang; Fu, Zhiyong","A fast-response photochromic host‒guest coordination polymer with a close-packed stacking structure","CrystEngComm","2016","18","38","7221","","10.1039/C6CE00727A","","","0.71073","MoKα","","0.1401","0.0593","","","0.1062","0.166","","","","","","0.974","","","","has coordinates","187032","2020-10-21","18:00:00",""
"7225194","15.7172","0.0009","4.0206","0.0002","17.5023","0.001","90","","114.595","0.001","90","","1005.67","0.1","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C10 H9 Br O3 -","- C10 H9 Br O3 -","- C40 H36 Br4 O12 -","4","1","","Veerakanellore, Giri Babu; Captain, Burjor; Ramamurthy, V.","Solid-state photochemistry of cis-cinnamic acids: a competition between [2 + 2] addition and cis‒trans isomerization","CrystEngComm","2016","18","25","4708","","10.1039/C6CE00682E","","","0.71073","MoKα","","0.0529","0.0362","","","0.0912","0.1001","","","","","","1.036","","","","has coordinates","185212","2020-10-21","18:00:00",""
"7225195","3.9208","0.0002","11.0581","0.0007","12.1034","0.0007","79.857","0.001","86.846","0.001","80.343","0.001","509.07","0.05","296","2","296","2","","","","","","","","3","P -1","-P 1","2","","","","- C11 H12 O4 -","- C11 H12 O4 -","- C22 H24 O8 -","2","1","","Veerakanellore, Giri Babu; Captain, Burjor; Ramamurthy, V.","Solid-state photochemistry of cis-cinnamic acids: a competition between [2 + 2] addition and cis‒trans isomerization","CrystEngComm","2016","18","25","4708","","10.1039/C6CE00682E","","","0.71073","MoKα","","0.0435","0.039","","","0.1037","0.1078","","","","","","1.046","","","","has coordinates","185212","2020-10-21","18:00:00",""
"7225196","4.0982","0.0003","13.3942","0.0009","20.0019","0.0014","90","","91.125","0.001","90","","1097.73","0.13","296","2","296","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C12 H12 O3 -","- C12 H12 O3 -","- C48 H48 O12 -","4","1","","Veerakanellore, Giri Babu; Captain, Burjor; Ramamurthy, V.","Solid-state photochemistry of cis-cinnamic acids: a competition between [2 + 2] addition and cis‒trans isomerization","CrystEngComm","2016","18","25","4708","","10.1039/C6CE00682E","","","0.71073","MoKα","","0.0622","0.0554","","","0.164","0.1714","","","","","","1.055","","","","has coordinates","185212","2020-10-21","18:00:00",""
"7225197","18.77","0.002","4.742","0.0005","23.122","0.003","90","","90.86","0.001","90","","2057.8","0.4","296","","296","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C10 H9 Br O3 -","- C10 H9 Br O3 -","- C80 H72 Br8 O24 -","8","1","","Veerakanellore, Giri Babu; Captain, Burjor; Ramamurthy, V.","Solid-state photochemistry of cis-cinnamic acids: a competition between [2 + 2] addition and cis‒trans isomerization","CrystEngComm","2016","18","25","4708","","10.1039/C6CE00682E","","","0.71073","MoKα","","0.055","0.0443","","","0.1043","0.1109","","","","","","1.075","","","","has coordinates","185212","2020-10-21","18:00:00",""
"7225198","9.9527","0.0005","10.3401","0.0005","12.2625","0.0006","82.421","0.0008","83.5482","0.0009","82.2157","0.0009","1233.65","0.11","296","2","296","2","","","","","","","","3","P -1","-P 1","2","","","","- C27.5 H28 O6 -","- C27.5 H28 O6 -","- C55 H56 O12 -","2","1","","Veerakanellore, Giri Babu; Captain, Burjor; Ramamurthy, V.","Solid-state photochemistry of cis-cinnamic acids: a competition between [2 + 2] addition and cis‒trans isomerization","CrystEngComm","2016","18","25","4708","","10.1039/C6CE00682E","","","0.71073","MoKα","","0.0746","0.0668","","","0.1925","0.2028","","","","","","1.042","","","","has coordinates,has disorder","185212","2020-10-21","18:00:00",""
"7225199","7.738","0.0006","8.1099","0.0006","10.0048","0.0008","71.822","0.001","84.921","0.001","64.415","0.001","537.24","0.07","296","2","296","2","","","","","","","","3","P -1","-P 1","2","","","","- C12 H12 O3 -","- C12 H12 O3 -","- C24 H24 O6 -","2","1","","Veerakanellore, Giri Babu; Captain, Burjor; Ramamurthy, V.","Solid-state photochemistry of cis-cinnamic acids: a competition between [2 + 2] addition and cis‒trans isomerization","CrystEngComm","2016","18","25","4708","","10.1039/C6CE00682E","","","0.71073","MoKα","","0.0719","0.0617","","","0.1697","0.1813","","","","","","1.062","","","","has coordinates","185212","2020-10-21","18:00:00",""
"7225200","7.5522","0.0009","8.1546","0.001","8.99","0.0011","91.546","0.002","111.209","0.002","94.653","0.002","513.5","0.11","296","2","296","2","","","","","","","","3","P -1","-P 1","2","","","","- C11 H12 O4 -","- C11 H12 O4 -","- C22 H24 O8 -","2","1","","Veerakanellore, Giri Babu; Captain, Burjor; Ramamurthy, V.","Solid-state photochemistry of cis-cinnamic acids: a competition between [2 + 2] addition and cis‒trans isomerization","CrystEngComm","2016","18","25","4708","","10.1039/C6CE00682E","","","0.71073","MoKα","","0.0669","0.0484","","","0.1301","0.1484","","","","","","1.032","","","","has coordinates","185212","2020-10-21","18:00:00",""
"7225201","8.3783","0.0004","9.3392","0.0005","9.5107","0.0005","75.719","0.001","82.633","0.001","69.677","0.001","675.55","0.06","296","2","296","2","","","","","","","","3","P -1","-P 1","2","","","","- C31 H32 O6 -","- C31 H32 O6 -","- C31 H32 O6 -","1","0.5","","Veerakanellore, Giri Babu; Captain, Burjor; Ramamurthy, V.","Solid-state photochemistry of cis-cinnamic acids: a competition between [2 + 2] addition and cis‒trans isomerization","CrystEngComm","2016","18","25","4708","","10.1039/C6CE00682E","","","0.71073","MoKα","","0.0536","0.0483","","","0.1307","0.1376","","","","","","1.045","","","","has coordinates,has disorder","185212","2020-10-21","18:00:00",""
"7225202","9.0513","0.0005","10.3906","0.0005","14.5614","0.0007","108.141","0.001","102.794","0.001","94.194","0.001","1254.09","0.11","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C22 H26 Br2 O9 -","- C22 H26 Br2 O9 -","- C44 H52 Br4 O18 -","2","1","","Veerakanellore, Giri Babu; Captain, Burjor; Ramamurthy, V.","Solid-state photochemistry of cis-cinnamic acids: a competition between [2 + 2] addition and cis‒trans isomerization","CrystEngComm","2016","18","25","4708","","10.1039/C6CE00682E","","","0.71073","MoKα","","0.0649","0.0482","","","0.1227","0.1317","","","","","","1.031","","","","has coordinates","185212","2020-10-21","18:00:00",""
"7225203","26.9829","0.001","37.6059","0.0015","19.3314","0.0007","90","","90","","90","","19615.9","1.3","296","2","296","2","","","","","","","","6","C m c e","-C 2ac 2","64","","","","- C32 H38 Cu2 Mo16 N24 O57 -","- C32 H32 Cu2 Mo16 N24 O57 -","- C256 H256 Cu16 Mo128 N192 O456 -","8","0.5","","Wang, Xiu-Li; Rong, Xing; Liu, Dan-Na; Lin, Hong-Yan; Liu, Guo-Cheng; Wang, Xiang; Song, Ge","Diverse polyoxometalate-based metal‒organic complexes constructed by a tetrazole- and pyridyl-containing asymmetric amide ligand or its in situ transformed ligand","CrystEngComm","2016","18","27","5101","","10.1039/C6CE01035K","","","0.71073","MoKα","","0.0828","0.0561","","","0.1605","0.1743","","","","","","1.081","","","","has coordinates","185230","2020-10-21","18:00:00",""
"7225204","27.09","0.0013","38.276","0.0013","19.107","0.0008","90","","90","","90","","19812","1.4","296","2","296","2","","","","","","","","6","C m c e","-C 2ac 2","64","","","","- C16 H22 Co Mo8 N12 O30 -","- C16 H16 Co Mo8 N12 O30 -","- C256 H256 Co16 Mo128 N192 O480 -","16","1","","Wang, Xiu-Li; Rong, Xing; Liu, Dan-Na; Lin, Hong-Yan; Liu, Guo-Cheng; Wang, Xiang; Song, Ge","Diverse polyoxometalate-based metal‒organic complexes constructed by a tetrazole- and pyridyl-containing asymmetric amide ligand or its in situ transformed ligand","CrystEngComm","2016","18","27","5101","","10.1039/C6CE01035K","","","0.71069","MoKα","","0.0746","0.0475","","","0.1396","0.1507","","","","","","1.082","","","","has coordinates","185230","2020-10-21","18:00:00",""
"7225205","12.932","0.0004","18.982","0.0006","21.457","0.0007","90","","102.729","0.001","90","","5137.7","0.3","296","2","296","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C32 H46 Ag4 Mo24 N24 O90 P2 -","- C32 H32 Ag4 Mo24 N24 O90 P2 -","- C64 H64 Ag8 Mo48 N48 O180 P4 -","2","0.5","","Wang, Xiu-Li; Rong, Xing; Liu, Dan-Na; Lin, Hong-Yan; Liu, Guo-Cheng; Wang, Xiang; Song, Ge","Diverse polyoxometalate-based metal‒organic complexes constructed by a tetrazole- and pyridyl-containing asymmetric amide ligand or its in situ transformed ligand","CrystEngComm","2016","18","27","5101","","10.1039/C6CE01035K","","","0.71069","MoKα","","0.0523","0.0486","","","0.1104","0.1121","","","","","","1.031","","","","has coordinates","185230","2020-10-21","18:00:00",""
"7225206","12.7322","0.001","13.6706","0.0011","16.522","0.0014","89.582","0.002","87.082","0.002","86.877","0.002","2867.7","0.4","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C21 H38 Ag N6 O49 P W12 -","- C21 H24 Ag N6 O49 P W12 -","- C42 H48 Ag2 N12 O98 P2 W24 -","2","1","","Wang, Xiu-Li; Rong, Xing; Liu, Dan-Na; Lin, Hong-Yan; Liu, Guo-Cheng; Wang, Xiang; Song, Ge","Diverse polyoxometalate-based metal‒organic complexes constructed by a tetrazole- and pyridyl-containing asymmetric amide ligand or its in situ transformed ligand","CrystEngComm","2016","18","27","5101","","10.1039/C6CE01035K","","","0.71073","MoKα","","0.0981","0.0722","","","0.1954","0.2218","","","","","","1.029","","","","has coordinates","206958","2020-10-21","18:00:00",""
"7225207","5.7985","0.0011","11.964","0.003","17.496","0.003","101.978","0.007","97.828","0.007","90.114","0.008","1175.7","0.4","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C25 H21 F4 N3 O5 S -","- C25 H21 F4 N3 O5 S -","- C50 H42 F8 N6 O10 S2 -","2","1","","Surov, Artem O.; Solanko, Katarzyna A.; Bond, Andrew D.; Bauer-Brandl, Annette; Perlovich, German L.","Cocrystals of the antiandrogenic drug bicalutamide: screening, crystal structures, formation thermodynamics and lattice energies","CrystEngComm","2016","18","25","4818","","10.1039/C6CE00931J","","","0.71073","MoKα","","0.0828","0.0536","","","0.1214","0.1308","","","","","","1.125","","","","has coordinates","185213","2020-10-21","18:00:00",""
"7225208","5.8888","0.0003","21.5969","0.0011","19.2814","0.001","90","","97.821","0.002","90","","2429.4","0.2","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C25 H21 F4 N3 O6 S -","- C25 H21 F4 N3 O6 S -","- C100 H84 F16 N12 O24 S4 -","4","1","","Surov, Artem O.; Solanko, Katarzyna A.; Bond, Andrew D.; Bauer-Brandl, Annette; Perlovich, German L.","Cocrystals of the antiandrogenic drug bicalutamide: screening, crystal structures, formation thermodynamics and lattice energies","CrystEngComm","2016","18","25","4818","","10.1039/C6CE00931J","","","0.71073","MoKα","","0.0389","0.03","","","0.0696","0.0741","","","","","","1.028","","","","has coordinates","185213","2020-10-21","18:00:00",""
"7225209","18.972","0.002","11.8654","0.0013","7.9166","0.0009","90","","90","","90","","1782.1","0.3","100","2","100","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C10 H12 F18 N P -","- C10 H12 F18 N P -","- C40 H48 F72 N4 P4 -","4","0.5","","Han, Xue; Ke, Jie; Suleiman, Norhidayah; Levason, William; Pugh, David; Zhang, Wenjian; Reid, Gillian; Licence, Peter; George, Michael W.","Phase behaviour and conductivity of supporting electrolytes in supercritical difluoromethane and 1,1-difluoroethane.","Physical chemistry chemical physics : PCCP","2016","18","21","14359","14369","10.1039/c6cp00466k","","","0.71073","MoKα","","0.0422","0.0391","","","0.1141","0.1176","","","","","","1.1","","","","has coordinates","183793","2020-10-21","18:00:00",""
"7225210","17.591","0.003","17.971","0.003","18.534","0.003","90","","90","","90","","5859.1","1.7","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C22 H36 F18 N P -","- C22 H36 F18 N P -","- C176 H288 F144 N8 P8 -","8","1","","Han, Xue; Ke, Jie; Suleiman, Norhidayah; Levason, William; Pugh, David; Zhang, Wenjian; Reid, Gillian; Licence, Peter; George, Michael W.","Phase behaviour and conductivity of supporting electrolytes in supercritical difluoromethane and 1,1-difluoroethane.","Physical chemistry chemical physics : PCCP","2016","18","21","14359","14369","10.1039/c6cp00466k","","","0.71073","MoKα","","0.097","0.0745","","","0.1165","0.124","","","","","","1.185","","","","has coordinates,has disorder","183793","2020-10-21","18:00:00",""
"7225211","13.312","0.006","28.997","0.013","13.523","0.006","90","","94.059","0.009","90","","5207","4","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C18 H36 F6 N2 O4 S2 -","- C18 H36 F6 N2 O4 S2 -","- C144 H288 F48 N16 O32 S16 -","8","4","","Han, Xue; Ke, Jie; Suleiman, Norhidayah; Levason, William; Pugh, David; Zhang, Wenjian; Reid, Gillian; Licence, Peter; George, Michael W.","Phase behaviour and conductivity of supporting electrolytes in supercritical difluoromethane and 1,1-difluoroethane.","Physical chemistry chemical physics : PCCP","2016","18","21","14359","14369","10.1039/c6cp00466k","","","0.71073","MoKα","","0.1276","0.0947","","","0.1823","0.2122","","","","","","1.097","","","","has coordinates,has disorder","183793","2020-10-21","18:00:00",""
"7225212","10.0146","0.0003","10.5472","0.0002","26.3161","0.0005","90","","90","","90","","2779.66","0.11","292.55","0.1","292.55","0.1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C30 H47 O3 -","- C30 H47 O3 -","- C120 H188 O12 -","4","1","","Liu, Hong-Xin; Chen, Kai; Tang, Gui-Hua; Yuan, Yun-Fei; Tan, Haibo; Qiu, SX","Isolation and Biomimetic Total Synthesis of Tomentodiones A-B, Terpenoid-conjugated Phloroglucinols from the Leaves of Rhodomyrtus tomentosa","RSC Adv.","2016","","","","","10.1039/C6RA08776K","","x-ray","1.54184","CuKα","","0.0514","0.0461","","","0.1177","0.1232","","","","","","1.024","","","","has coordinates","182901","2020-10-21","18:00:00",""
"7225213","18.2934","0.0004","9.6683","0.0002","18.2645","0.0003","90","","115.433","0.001","90","","2917.31","0.1","115","2","115","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C39 H32 N2 O -","- C39 H32 N2 O -","- C156 H128 N8 O4 -","4","1","","gazzeh, houda gazzeh; Boudriga, Sarra; Askri, Moheddine; Khatyr, Abderrahim; Knorr, Michael; Strohman, Carsten; Golz, Christopher; Rousselin, Yoann; Kubicki, Marek","Stoichiometry-controlled cycloaddition of nitrilimines with unsymmetrical exocyclic dienones: Microwave-assisted synthesis of novel mono- and dispiropyrazoline derivatives","RSC Adv.","2016","","","","","10.1039/C6RA09703K","","","0.71073","MoKα","","0.1095","0.0757","","","0.1832","0.2088","","","","","","1.024","","","","has coordinates,has disorder","182902","2020-10-21","18:00:00",""
"7225214","14.5227","0.0014","21.1915","0.0017","15.1214","0.0015","90","","104.682","0.009","90","","4501.8","0.7","173","","173","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","4,4''-bis(4-methoxyphenyl)-2,2'',5,5''-tetraphenyl-2,2'',4,4''-tetrahydro-2'H,4'H-dispiro[pyrazole-3,1'-naphthalene-3',3''-pyrazol]-2'-one","","- C52 H42 N4 O3 -","- C52 H42 N4 O3 -","- C208 H168 N16 O12 -","4","1","","gazzeh, houda gazzeh; Boudriga, Sarra; Askri, Moheddine; Khatyr, Abderrahim; Knorr, Michael; Strohman, Carsten; Golz, Christopher; Rousselin, Yoann; Kubicki, Marek","Stoichiometry-controlled cycloaddition of nitrilimines with unsymmetrical exocyclic dienones: Microwave-assisted synthesis of novel mono- and dispiropyrazoline derivatives","RSC Adv.","2016","","","","","10.1039/C6RA09703K","","","0.71073","MoKα","","0.1387","0.0736","","","0.1653","0.1906","","","","","","0.951","","","","has coordinates","182902","2020-10-21","18:00:00",""
"7225215","41.393","0.009","8.1687","0.0014","23.774","0.005","90","","120.926","0.002","90","","6896","2","293","","293","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","Ir-3a","","- C41 H27 F4 Ir N2 O4 -","- C41 H27 F4 Ir N2 O4 -","- C328 H216 F32 Ir8 N16 O32 -","8","1","","Okamura, Naoki; Nakamura, Taiyo; Yagi, Shigeyuki; Maeda, Takeshi; Nakazumi, Hiroyuki; Fujiwara, Hideki; Koseki, Shiro","Novel bis- and tris-cyclometalated iridium(III) complexes bearing a benzoyl group on each fluorinated 2-phenylpyridinate ligand aimed at development of blue phosphorescent materials for OLED","RSC Adv.","2016","","","","","10.1039/C6RA09385J","","","0.71075","MoKα","","","0.039","","","","0.0459","","","","","","1.067","","","","has coordinates","182903","2020-10-21","18:00:00",""
"7225216","19.19","0.003","10.3544","0.0016","23.935","0.004","90","","101.528","0.0019","90","","4660","1.3","293.1","","293","","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","Ir-3c","","- C54 H34 F6 Ir N3 O5 -","- C54 H30 F6 Ir N3 O5 -","- C216 H120 F24 Ir4 N12 O20 -","4","1","","Okamura, Naoki; Nakamura, Taiyo; Yagi, Shigeyuki; Maeda, Takeshi; Nakazumi, Hiroyuki; Fujiwara, Hideki; Koseki, Shiro","Novel bis- and tris-cyclometalated iridium(III) complexes bearing a benzoyl group on each fluorinated 2-phenylpyridinate ligand aimed at development of blue phosphorescent materials for OLED","RSC Adv.","2016","","","","","10.1039/C6RA09385J","","","0.71075","MoKα","","","0.0509","","","","0.0567","","","","","","1.088","","","","has coordinates","182903","2020-10-21","18:00:00",""
"7225217","9.125","0.002","11.439","0.003","11.631","0.003","92.611","0.008","107.49","0.008","111.309","0.008","1062.3","0.5","122","2","122","","","","","","","","","5","P -1","-P 1","2","","(1S,8aR or 1R,8aS)-1-cyano-2,3-diphenyl-1,8a-dihydroazulene-1-carboxamide","","- C25 H20 Cl2 N2 O -","- C25 H20 Cl2 N2 O -","- C50 H40 Cl4 N4 O2 -","2","1","","Cacciarini, Martina; Jevric, Martyn; Elm, Jonas; Petersen, Anne U.; Mikkelsen, Kurt V.; Nielsen, Mogens Brondsted","Fine-tuning the lifetimes and energy storage capacities of meta-stable vinylheptafulvenes via substitution at the vinyl position","RSC Adv.","2016","","","","","10.1039/C6RA06045E","","","0.71073","MoKα","","0.0372","0.0326","","","0.0821","0.0852","","","","","","1.049","","","","has coordinates","182904","2020-10-21","18:00:00",""
"7225218","9.0724","0.0007","11.201","0.0008","11.4779","0.0008","99.022","0.003","106.294","0.003","98.866","0.003","1081.27","0.14","122","","122","","","","","","","","","4","P -1","-P 1","2","","(1S,8aR or 1R,8aS)-1-cyano-2,3-diphenyl-1,8a-dihydroazulene-1-carboxamide","","- C27 H24 N2 O2 -","- C27 H24 N2 O2 -","- C54 H48 N4 O4 -","2","1","","Cacciarini, Martina; Jevric, Martyn; Elm, Jonas; Petersen, Anne U.; Mikkelsen, Kurt V.; Nielsen, Mogens Brondsted","Fine-tuning the lifetimes and energy storage capacities of meta-stable vinylheptafulvenes via substitution at the vinyl position","RSC Adv.","2016","","","","","10.1039/C6RA06045E","","","0.71073","MoKα","","0.0439","0.0368","","","0.0916","0.0969","","","","","","1.034","","","","has coordinates","182904","2020-10-21","18:00:00",""
"7225219","8.336","0.002","9.118","0.003","17.445","0.005","103.692","0.017","93.563","0.017","107.081","0.014","1219","0.6","293","2","293","2","","","","","","","see text","4","P -1","-P 1","2","","","","- C30 H16 Cl4 N2 -","- C30 H16 Cl4 N2 -","- C60 H32 Cl8 N4 -","2","1","","Ravi, Makthala; Chauhan, Parul; Singh, Shikha; Kant, Ruchir; Yadav, Prem Prakash","p-TsOH-promoted synthesis of (E)-6-phenyl-7-styryl-5,6-dihydrodibenzo[b,h][1,6]naphthyridines via cascade intramolecular aza-Michael addition/Friedlander condensation of 2'-aminochalcones in a SDS/H2O system","RSC Adv.","2016","","","","","10.1039/C6RA04837D","","","0.71075","MoKα","","0.0532","0.0383","","","0.1004","0.107","","","","","","0.973","","","","has coordinates","211179","2020-10-21","18:00:00",""
"7225220","9.823","0.003","10.668","0.002","11.585","0.003","95.708","0.003","105.487","0.005","94.881","0.003","1156.2","0.5","293","2","293","2","","","","","","","see text","5","P -1","-P 1","2","","","","- C30 H20 Cl N3 O2 -","- C30 H20 Cl N3 O2 -","- C60 H40 Cl2 N6 O4 -","2","1","","Ravi, Makthala; Chauhan, Parul; Singh, Shikha; Kant, Ruchir; Yadav, Prem Prakash","p-TsOH-promoted synthesis of (E)-6-phenyl-7-styryl-5,6-dihydrodibenzo[b,h][1,6]naphthyridines via cascade intramolecular aza-Michael addition/Friedlander condensation of 2'-aminochalcones in a SDS/H2O system","RSC Adv.","2016","","","","","10.1039/C6RA04837D","","","0.71075","MoKα","","0.0474","0.0397","","","0.1088","0.1128","","","","","","0.975","","","","has coordinates","211179","2020-10-21","18:00:00",""
"7225221","10.4245","0.0008","11.2214","0.0009","12.1997","0.001","96.489","0.001","94.707","0.001","108.616","0.001","1333.14","0.18","294","2","294","2","","","","","","","","4","P -1","-P 1","2","","","","- C34 H28 N2 O4 -","- C34 H28 N2 O4 -","- C68 H56 N4 O8 -","2","1","","Basireddy, Venkata Subba Reddy; Elala, Pravardhan Reddy; Balasubramanian, Sridhar; Yerrabelly, JayaPrakash Rao","Rhodium- catalyzed cycloaddition of carbonyl ylides for the synthesis of spiro[furo[2,3-a]xanthene-2,3'-indolin]-2'-one scaffolds","RSC Adv.","2016","","","","","10.1039/C6RA05661J","","","0.71073","MoKα","","0.0427","0.0387","","","0.1049","0.1092","","","","","","1.031","","","","has coordinates","182928","2020-10-21","18:00:00",""
"7225222","9.6224","0.0012","14.7044","0.0019","11.8502","0.0016","90","","98.565","0.004","90","","1658","0.4","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H13 N3 O2 S -","- C19 H13 N3 O2 S -","- C76 H52 N12 O8 S4 -","4","1","","Ramesh, A. B.; Pavankumar, C. S.; Sandhya, Nagarakere C.; Kumara, M. N.; Kempegowda, Mantelingu; Rangappa, Kanchugarakoppal S.","Tandem Approach for the Synthesis of 3-Sulfenylimidazo[1,5-a]pyridines from Dithioesters","RSC Adv.","2016","","","","","10.1039/C6RA03771B","","","1.54178","CuKα","","0.0368","0.0355","","","0.0938","0.0949","","","","","","1.052","","","","has coordinates","182929","2020-10-21","18:00:00",""
"7225223","12.6016","0.0004","19.0377","0.0007","11.3636","0.0004","90","","100.352","0.003","90","","2681.81","0.16","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H19 N O3 -","- C15 H19 N O3 -","- C120 H152 N8 O24 -","8","2","","Dar'in, Dmitry; Bakulina, Olga; Nikolskaya, Sofia; Gluzdikov, Ivan; Krasavin, Mikhail","The rare cis-configured trisubstituted lactam products obtained by the Castagnoli-Cushman reaction in N,N-dimethylformamide","RSC Adv.","2016","","","","","10.1039/C6RA10249B","","","0.71073","MoKα","","0.0658","0.0479","","","0.1143","0.1264","","","","","","1.031","","","","has coordinates","182930","2020-10-21","18:00:00",""
"7225224","10.6754","0.0004","8.1698","0.0002","17.8582","0.0006","90","","90.365","0.003","90","","1557.49","0.09","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H19 F N2 O3 -","- C16 H19 F N2 O3 -","- C64 H76 F4 N8 O12 -","4","1","","Dar'in, Dmitry; Bakulina, Olga; Nikolskaya, Sofia; Gluzdikov, Ivan; Krasavin, Mikhail","The rare cis-configured trisubstituted lactam products obtained by the Castagnoli-Cushman reaction in N,N-dimethylformamide","RSC Adv.","2016","","","","","10.1039/C6RA10249B","","","0.71073","MoKα","","0.0712","0.0453","","","0.0818","0.0912","","","","","","1.03","","","","has coordinates","182930","2020-10-21","18:00:00",""
"7225225","9.9465","0.0016","15.9223","0.0018","8.4185","0.0007","90","","92.142","0.011","90","","1332.3","0.3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H16 F N O3 -","- C14 H16 F N O3 -","- C56 H64 F4 N4 O12 -","4","1","","Dar'in, Dmitry; Bakulina, Olga; Nikolskaya, Sofia; Gluzdikov, Ivan; Krasavin, Mikhail","The rare cis-configured trisubstituted lactam products obtained by the Castagnoli-Cushman reaction in N,N-dimethylformamide","RSC Adv.","2016","","","","","10.1039/C6RA10249B","","","0.7107","MoKα","","0.0597","0.0418","","","0.0947","0.1077","","","","","","1.039","","","","has coordinates","182930","2020-10-21","18:00:00",""
"7225226","6.4049","0.0002","21.301","0.0006","10.8631","0.0003","90","","100.374","0.003","90","","1457.83","0.07","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H21 N O4 -","- C16 H21 N O4 -","- C64 H84 N4 O16 -","4","1","","Dar'in, Dmitry; Bakulina, Olga; Nikolskaya, Sofia; Gluzdikov, Ivan; Krasavin, Mikhail","The rare cis-configured trisubstituted lactam products obtained by the Castagnoli-Cushman reaction in N,N-dimethylformamide","RSC Adv.","2016","","","","","10.1039/C6RA10249B","","","0.7107","MoKα","","0.052","0.0464","","","0.1248","0.1302","","","","","","1.05","","","","has coordinates","182930","2020-10-21","18:00:00",""
"7225227","6.3469","0.0006","27.815","0.003","10.896","0.001","90","","99.887","0.011","90","","1895","0.3","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H21 N O4 -","- C20 H21 N O4 -","- C80 H84 N4 O16 -","4","1","","Dar'in, Dmitry; Bakulina, Olga; Nikolskaya, Sofia; Gluzdikov, Ivan; Krasavin, Mikhail","The rare cis-configured trisubstituted lactam products obtained by the Castagnoli-Cushman reaction in N,N-dimethylformamide","RSC Adv.","2016","","","","","10.1039/C6RA10249B","","","0.7107","MoKα","","0.0721","0.0549","","","0.1492","0.1652","","","","","","1.076","","","","has coordinates","182930","2020-10-21","18:00:00",""
"7225228","23.216","0.003","11.7924","0.0016","23.055","0.003","90","","103.933","0.002","90","","6126.1","1.4","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H21 N O4 -","- C16 H21 N O4 -","- C256 H336 N16 O64 -","16","4","","Dar'in, Dmitry; Bakulina, Olga; Nikolskaya, Sofia; Gluzdikov, Ivan; Krasavin, Mikhail","The rare cis-configured trisubstituted lactam products obtained by the Castagnoli-Cushman reaction in N,N-dimethylformamide","RSC Adv.","2016","","","","","10.1039/C6RA10249B","","","0.71073","MoKα","","0.0486","0.0366","","","0.087","0.0948","","","","","","1.021","","","","has coordinates","182930","2020-10-21","18:00:00",""
"7225229","6.5824","0.0009","21.392","0.002","11.5002","0.0013","90","","105.054","0.012","90","","1563.8","0.3","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H23 N O4 -","- C17 H23 N O4 -","- C68 H92 N4 O16 -","4","1","","Dar'in, Dmitry; Bakulina, Olga; Nikolskaya, Sofia; Gluzdikov, Ivan; Krasavin, Mikhail","The rare cis-configured trisubstituted lactam products obtained by the Castagnoli-Cushman reaction in N,N-dimethylformamide","RSC Adv.","2016","","","","","10.1039/C6RA10249B","","","0.7107","MoKα","","0.0915","0.0767","","","0.1865","0.198","","","","","","1.102","","","","has coordinates","182930","2020-10-21","18:00:00",""
"7225230","10.62011","0.00017","11.1647","0.0002","11.78218","0.00019","90","","90","","90","","1397.02","0.04","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C15 H19 N O4 -","- C15 H19 N O4 -","- C60 H76 N4 O16 -","4","1","","Dar'in, Dmitry; Bakulina, Olga; Nikolskaya, Sofia; Gluzdikov, Ivan; Krasavin, Mikhail","The rare cis-configured trisubstituted lactam products obtained by the Castagnoli-Cushman reaction in N,N-dimethylformamide","RSC Adv.","2016","","","","","10.1039/C6RA10249B","","","0.71073","MoKα","","0.0273","0.0265","","","0.0692","0.0699","","","","","","1.032","","","","has coordinates","182930","2020-10-21","18:00:00",""
"7225231","5.9545","0.0005","10.629","0.0008","10.1521","0.0006","90","","98.878","0.007","90","","634.83","0.08","100","2","100","2","","","","","","","","4","P 1 c 1","P -2yc","7","","","","- C14 H17 N O3 -","- C14 H17 N O3 -","- C28 H34 N2 O6 -","2","1","","Dar'in, Dmitry; Bakulina, Olga; Nikolskaya, Sofia; Gluzdikov, Ivan; Krasavin, Mikhail","The rare cis-configured trisubstituted lactam products obtained by the Castagnoli-Cushman reaction in N,N-dimethylformamide","RSC Adv.","2016","","","","","10.1039/C6RA10249B","","","0.71073","MoKα","","0.0496","0.0442","","","0.109","0.1147","","","","","","1.074","","","","has coordinates","182930","2020-10-21","18:00:00",""
"7225232","9.771","0.003","14.4414","0.0016","10.4314","0.0007","90","","107.145","0.017","90","","1406.5","0.5","100","0.2","100","0.2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H19 N O4 -","- C15 H19 N O4 -","- C60 H76 N4 O16 -","4","1","","Dar'in, Dmitry; Bakulina, Olga; Nikolskaya, Sofia; Gluzdikov, Ivan; Krasavin, Mikhail","The rare cis-configured trisubstituted lactam products obtained by the Castagnoli-Cushman reaction in N,N-dimethylformamide","RSC Adv.","2016","","","","","10.1039/C6RA10249B","","","0.7107","MoKα","","0.0447","0.038","","","0.0943","0.0988","","","","","","1.025","","","","has coordinates","182930","2020-10-21","18:00:00",""
"7225233","9.4141","0.0009","11.6808","0.0012","14.226","0.0011","104.808","0.008","91.834","0.007","113.724","0.009","1368.4","0.3","291","2","291.15","","","","","","","","","4","P -1","-P 1","2","","","","- C36 H28 N2 O -","- C36 H28 N2 O -","- C72 H56 N4 O2 -","2","1","","Shen, Jinhai; Yang, Xifa; Wang, Fuyuan; Wang, Yue; Cheng, Guolin; Cui, Xiuling","Base-Mediated Regiospecific Cascade Synthesis of N-(2-Pyridyl)pyrroles from N-Propargylic β-Enaminones","RSC Adv.","2016","","","","","10.1039/C6RA08987A","","","1.5418","CuKα","","0.0691","0.0518","","","0.1379","0.1545","","","","","","1.044","","","","has coordinates","182931","2020-10-21","18:00:00",""
"7225234","10.3484","0.0004","10.5999","0.0004","27.2911","0.0008","90","","90","","90","","2993.62","0.18","291","2","291.15","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C38 H32 N2 O -","- C38 H32 N2 O -","- C152 H128 N8 O4 -","4","1","","Shen, Jinhai; Yang, Xifa; Wang, Fuyuan; Wang, Yue; Cheng, Guolin; Cui, Xiuling","Base-Mediated Regiospecific Cascade Synthesis of N-(2-Pyridyl)pyrroles from N-Propargylic β-Enaminones","RSC Adv.","2016","","","","","10.1039/C6RA08987A","","","1.54184","CuKα","","0.0477","0.0406","","","0.103","0.11","","","","","","1.018","","","","has coordinates","182931","2020-10-21","18:00:00",""
"7225235","18.188","0.004","22.992","0.005","14.357","0.003","90","","125.36","0.03","90","","4896","3","293","2","293","2","","","","","","","","7","C 1 2 1","C 2y","5","","","","- C18 H90 Cd3 N18 O51 Sb6 V15 -","- C18 H72 Cd3 N18 O51 Sb6 V15 -","- C36 H144 Cd6 N36 O102 Sb12 V30 -","2","0.5","","Guo, Hai-Yang; Zhang, Xiao; Cui, Xiao-Bing; Huo, Qi-Sheng; Xu, Ji-Qing","Vanadoantimonates: from discrete clusters to high dimensional aggregates","CrystEngComm","2016","18","27","5130","","10.1039/C6CE00616G","","","0.71073","MoKα","","0.1059","0.083","","","0.2124","0.2305","","","","","","1.022","","","","has coordinates","185228","2020-10-21","18:00:00",""
"7225236","12.4887","0.0007","12.4887","0.0007","39.986","0.005","90","","90","","120","","5401","0.8","292","2","292","2","","","","","","","","7","R 3 :H","R 3","146","","","","- C12 H62 N12 Ni2 O48 Sb6 V15 -","- C12 H42 N12 Ni2 O48 Sb6 V15 -","- C36 H126 N36 Ni6 O144 Sb18 V45 -","3","0.333333","","Guo, Hai-Yang; Zhang, Xiao; Cui, Xiao-Bing; Huo, Qi-Sheng; Xu, Ji-Qing","Vanadoantimonates: from discrete clusters to high dimensional aggregates","CrystEngComm","2016","18","27","5130","","10.1039/C6CE00616G","","","0.71073","MoKα","","0.0995","0.089","","","0.2245","0.2432","","","","","","1.076","","","","has coordinates","185228","2020-10-21","18:00:00",""
"7225237","12.4543","0.0018","12.4543","0.0018","39.916","0.008","90","","90","","120","","5361.9","1.5","293","2","293","2","","","","","","","","7","R 3 :H","R 3","146","","","","- C12 H62 Co2 N12 O48 Sb6 V15 -","- C12 H42 Co2 N12 O48 Sb6 V15 -","- C36 H126 Co6 N36 O144 Sb18 V45 -","3","0.333333","","Guo, Hai-Yang; Zhang, Xiao; Cui, Xiao-Bing; Huo, Qi-Sheng; Xu, Ji-Qing","Vanadoantimonates: from discrete clusters to high dimensional aggregates","CrystEngComm","2016","18","27","5130","","10.1039/C6CE00616G","","","0.71073","MoKα","","0.0608","0.0501","","","0.1324","0.1415","","","","","","1.038","","","","has coordinates","185228","2020-10-21","18:00:00",""
"7225238","13.6766","0.001","11.9042","0.0005","19.2758","0.0015","90","","109.348","0.009","90","","2961","0.4","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- H16 O48 Sb8 V14 -","- O48 Sb8 V14 -","- O96 Sb16 V28 -","2","0.5","","Guo, Hai-Yang; Zhang, Xiao; Cui, Xiao-Bing; Huo, Qi-Sheng; Xu, Ji-Qing","Vanadoantimonates: from discrete clusters to high dimensional aggregates","CrystEngComm","2016","18","27","5130","","10.1039/C6CE00616G","","","0.71073","MoKα","","0.1011","0.0676","","","0.1731","0.2071","","","","","","1.021","","","","has coordinates","185228","2020-10-21","18:00:00",""
"7225239","29.05","0.006","15.812","0.003","21.821","0.004","90","","128.43","0.03","90","","7852","4","293","2","293","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C18 H70 Co2 N12 O47 Sb8 V14 -","- C18 H60 Co2 N12 O47 Sb8 V14 -","- C72 H240 Co8 N48 O188 Sb32 V56 -","4","0.5","","Guo, Hai-Yang; Zhang, Xiao; Cui, Xiao-Bing; Huo, Qi-Sheng; Xu, Ji-Qing","Vanadoantimonates: from discrete clusters to high dimensional aggregates","CrystEngComm","2016","18","27","5130","","10.1039/C6CE00616G","","","0.71073","MoKα","","0.0533","0.0405","","","0.0949","0.0988","","","","","","1.08","","","","has coordinates","185228","2020-10-21","18:00:00",""
"7225240","7.488","0.0015","13.035","0.003","15.569","0.003","105.68","0.03","101.8","0.03","90.67","0.03","1428.5","0.6","100","","100","","","","","","","","","4","P -1","-P 1","2","","","","- C33 H30 Cl2 O8 -","- C33 H30 Cl2 O8 -","- C66 H60 Cl4 O16 -","2","1","","Wojciechowski, Jonathan P.; Martin, Adam D.; Bhadbhade, Mohan; Webb, James E. A.; Thordarson, Pall","Halogen bonding influences perylene-core twists in non-core substituted perylene tetraesters","CrystEngComm","2016","18","24","4513","","10.1039/C6CE00929H","","","0.71073","MoKα","","0.0541","0.0505","","","0.1346","0.1374","","","","","","1.069","","","","has coordinates","185222","2020-10-21","18:00:00",""
"7225241","7.523","0.0015","11.901","0.002","15.487","0.003","107.5","0.03","101.49","0.03","96.92","0.03","1271.5","0.5","100","","100","","","","","","","","","3","P -1","-P 1","2","","","","- C32 H28 O8 -","- C32 H28 O8 -","- C64 H56 O16 -","2","1","","Wojciechowski, Jonathan P.; Martin, Adam D.; Bhadbhade, Mohan; Webb, James E. A.; Thordarson, Pall","Halogen bonding influences perylene-core twists in non-core substituted perylene tetraesters","CrystEngComm","2016","18","24","4513","","10.1039/C6CE00929H","","","0.71073","MoKα","","0.0636","0.0527","","","0.1349","0.1432","","","","","","1.038","","","","has coordinates","185222","2020-10-21","18:00:00",""
"7225242","26.689","0.005","15.869","0.003","7.169","0.0014","90","","101.83","0.03","90","","2971.8","1","100","","100","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C34 H28 Cl2 O8 -","- C34 H28 Cl2 O8 -","- C136 H112 Cl8 O32 -","4","0.5","","Wojciechowski, Jonathan P.; Martin, Adam D.; Bhadbhade, Mohan; Webb, James E. A.; Thordarson, Pall","Halogen bonding influences perylene-core twists in non-core substituted perylene tetraesters","CrystEngComm","2016","18","24","4513","","10.1039/C6CE00929H","","","0.71073","MoKα","","0.1024","0.0884","","","0.2488","0.2597","","","","","","1.768","","","","has coordinates","185222","2020-10-21","18:00:00",""
"7225243","7.312","0.0015","23.629","0.005","20.889","0.004","90","","90","","90","","3609.1","1.3","100","","100","","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C34 H30 Br6 O8 -","- C34 H30 Br6 O8 -","- C136 H120 Br24 O32 -","4","1","","Wojciechowski, Jonathan P.; Martin, Adam D.; Bhadbhade, Mohan; Webb, James E. A.; Thordarson, Pall","Halogen bonding influences perylene-core twists in non-core substituted perylene tetraesters","CrystEngComm","2016","18","24","4513","","10.1039/C6CE00929H","","","0.71073","MoKα","","0.0506","0.0498","","","0.1304","0.131","","","","","","1.047","","","","has coordinates","185222","2020-10-21","18:00:00",""
"7225244","17.042","0.01","19.312","0.011","25.505","0.015","111.723","0.008","93.518","0.008","102.47","0.008","7521","8","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C139 H155 N7 O26 Zn8 -","- C139 H155 N7 O26 Zn8 -","- C278 H310 N14 O52 Zn16 -","2","1","","Kumari, Harshita; Mayhan, Collin M.; Barnes, Charles L.; Deakyne, Carol A.; Atwood, Jerry L.","Metal exchange study of pyrogallol[4]arene based dimers","CrystEngComm","2016","18","26","4909","","10.1039/C6CE00639F","","","0.71073","MoKα","","0.3279","0.1297","","","0.3363","0.446","","","","","","1.006","","","","has coordinates","185189","2020-10-21","18:00:00",""
"7225245","23.519","0.004","23.519","0.004","10.8159","0.0013","90","","90","","120","","5181.2","1.4","120","2","120","2","","","","","","","","3","P 3 c 1","P 3 -2""c","158","","9,10-Dimethyl-2,3,6,7,14,15-hexa-hydroxytriptycene tetrahydrofuran solvate","","- C35.6 H45.2 O9.4 -","- C34 H42 O9 -","- C204 H252 O54 -","6","1","","Greatorex, Sam; Halcrow, Malcolm A.","Highly porous hydrogen-bond networks from a triptycene-based catechol","CrystEngComm","2016","18","25","4695","","10.1039/C6CE00966B","","","0.71073","MoKα","","0.144","0.0987","","","0.2474","0.2724","","","","","","1.103","","","","has coordinates","185207","2020-10-21","18:00:00",""
"7225246","13.3213","0.0002","13.3213","0.0002","31.0721","0.0006","90","","90","","90","","5513.96","0.16","120","2","120","2","","","","","","","","3","I 41 c d","I 4bw -2c","110","","9,10-Dimethyl-2,3,6,7,14,15-hexa-hydroxytriptycene diethyl ether solvate","","- C30 H38 O8 -","- C30 H38 O8 -","- C240 H304 O64 -","8","0.5","","Greatorex, Sam; Halcrow, Malcolm A.","Highly porous hydrogen-bond networks from a triptycene-based catechol","CrystEngComm","2016","18","25","4695","","10.1039/C6CE00966B","","","1.54184","CuKα","","0.0455","0.0451","","","0.1161","0.1168","","","","","","1.041","","","","has coordinates,has disorder","185207","2020-10-21","18:00:00",""
"7225247","8.8058","0.0005","9.1775","0.0006","14.0128","0.0008","84.071","0.005","85.136","0.004","82.927","0.005","1114.83","0.12","120","2","120","2","","","","","","","","3","P -1","-P 1","2","","9,10-Dimethyl-2,3,6,7,14,15-hexa-hydroxytriptycene ethyl acetate solvate","","- C26 H26 O8 -","- C26 H26 O8 -","- C52 H52 O16 -","2","1","","Greatorex, Sam; Halcrow, Malcolm A.","Highly porous hydrogen-bond networks from a triptycene-based catechol","CrystEngComm","2016","18","25","4695","","10.1039/C6CE00966B","","","1.54184","CuKα","","0.0719","0.0622","","","0.176","0.1941","","","","","","1.042","","","","has coordinates,has disorder","185207","2020-10-21","18:00:00",""
"7225248","23.2178","0.0016","25.566","0.002","10.7276","0.0007","90","","116.349","0.006","90","","5706.2","0.8","120","2","120","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","9,10-Dimethyl-2,3,6,7,14,15-hexa-hydroxytriptycene chloroform solvate","","- C24.15 H20.15 Cl6.44 O6 -","- C23 H19 Cl3 O6 -","- C184 H152 Cl24 O48 -","8","1","","Greatorex, Sam; Halcrow, Malcolm A.","Highly porous hydrogen-bond networks from a triptycene-based catechol","CrystEngComm","2016","18","25","4695","","10.1039/C6CE00966B","","","1.54184","CuKα","","0.1144","0.0868","","","0.2545","0.2839","","","","","","1.046","","","","has coordinates,has disorder","185207","2020-10-21","18:00:00",""
"7225249","13.1161","0.0004","11.8371","0.0003","24.858","0.0007","90","","97.306","0.003","90","","3828.03","0.19","120","2","120","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","9,10-Dimethyl-2,3,6,7-tetra-hydroxytriptycene hemihydratehemi-diethyl ether solvate","","- C24 H24 O5 -","- C24 H23 O5 -","- C192 H184 O40 -","8","2","","Greatorex, Sam; Halcrow, Malcolm A.","Highly porous hydrogen-bond networks from a triptycene-based catechol","CrystEngComm","2016","18","25","4695","","10.1039/C6CE00966B","","","1.54184","CuKα","","0.1069","0.0683","","","0.1783","0.206","","","","","","1.034","","","","has coordinates,has disorder","185207","2020-10-21","18:00:00",""
"7225250","9.6831","0.0002","11.9425","0.0002","18.3518","0.0004","90","","90","","90","","2122.21","0.07","120","2","120","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","9,10-Dimethyl-2,3,6,7-tetra-hydroxytriptycene 1,4-dioxane solvate","","- C26 H26 O6 -","- C26 H26 O6 -","- C104 H104 O24 -","4","1","","Greatorex, Sam; Halcrow, Malcolm A.","Highly porous hydrogen-bond networks from a triptycene-based catechol","CrystEngComm","2016","18","25","4695","","10.1039/C6CE00966B","","","1.54184","CuKα","","0.0401","0.038","","","0.0974","0.0994","","","","","","1.055","","","","has coordinates","185207","2020-10-21","18:00:00",""
"7225251","8.7138","0.0004","14.7312","0.0007","15.9961","0.0008","90","","90","","90","","2053.34","0.17","120","2","120","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","9,10-Dimethyl-2,3,6,7-tetra-methoxytriptycene","","- C26 H26 O4 -","- C26 H26 O4 -","- C104 H104 O16 -","4","1","","Greatorex, Sam; Halcrow, Malcolm A.","Highly porous hydrogen-bond networks from a triptycene-based catechol","CrystEngComm","2016","18","25","4695","","10.1039/C6CE00966B","","","0.71073","MoKα","","0.0745","0.0534","","","0.1147","0.1247","","","","","","1.064","","","","has coordinates","185207","2020-10-21","18:00:00",""
"7225252","5.9523","0.0005","6.7864","0.0005","12.7209","0.0011","87.987","0.003","89.585","0.003","84.399","0.004","511.08","0.07","150","","150","","","","","","","","","3","P -1","-P 1","2","Methyl propionate","Methyl propanoate","","- C4 H8 O2 -","- C4 H8 O2 -","- C16 H32 O8 -","4","2","","McFarlane, Andrew R.; Geller, Hannah; Silverwood, Ian P.; Cooper, Richard I.; Watkin, David J.; Parker, Stewart F.; Winfield, John M.; Lennon, David","The application of inelastic neutron scattering to investigate the interaction of methyl propanoate with silica.","Physical chemistry chemical physics : PCCP","2016","18","26","17210","17216","10.1039/c6cp01276k","","","0.71073","MoKα","","0.0893","0.0644","","0.212","0.1851","0.212","","","","","","0.8768","","","","has coordinates","185665","2020-10-21","18:00:00",""
"7225253","7.651","0.0015","21.538","0.004","12.283","0.003","90","","98.89","0.03","90","","1999.8","0.7","293","2","293","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C34 H36 Dy N5 O22 -","- C34 H26 Dy N5 O17 -","- C68 H52 Dy2 N10 O34 -","2","0.5","","Du, Pei-Yao; Gu, Wen; Liu, Xin","Three types of lanthanide coordination polymers from 1D to 3D based on a tetracarboxylate ligand: synthesis, structural diversities and properties","CrystEngComm","2016","18","27","5140","","10.1039/C6CE00600K","","","0.71073","MoKα","","0.0743","0.0715","","","0.1849","0.1877","","","","","","1.084","","","","has coordinates,has disorder","185226","2020-10-21","18:00:00",""
"7225254","7.6434","0.0015","21.477","0.004","12.246","0.002","90","","98.6","0.03","90","","1987.7","0.6","293","2","293","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C34 H36 Er N5 O22 -","- C34 H26 Er N5 O17 -","- C68 H52 Er2 N10 O34 -","2","0.5","","Du, Pei-Yao; Gu, Wen; Liu, Xin","Three types of lanthanide coordination polymers from 1D to 3D based on a tetracarboxylate ligand: synthesis, structural diversities and properties","CrystEngComm","2016","18","27","5140","","10.1039/C6CE00600K","","","0.71073","MoKα","","0.0734","0.0693","","","0.1758","0.1794","","","","","","1.093","","","","has coordinates,has disorder","185226","2020-10-21","18:00:00",""
"7225255","7.6624","0.0015","21.609","0.004","12.271","0.003","90","","98.79","0.03","90","","2007.9","0.7","293","2","293","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C34 H36 Gd N5 O22 -","- C34 H26 Gd N5 O17 -","- C68 H52 Gd2 N10 O34 -","2","0.5","","Du, Pei-Yao; Gu, Wen; Liu, Xin","Three types of lanthanide coordination polymers from 1D to 3D based on a tetracarboxylate ligand: synthesis, structural diversities and properties","CrystEngComm","2016","18","27","5140","","10.1039/C6CE00600K","","","0.71073","MoKα","","0.0941","0.0838","","","0.2225","0.2311","","","","","","1.1","","","","has coordinates,has disorder","185226","2020-10-21","18:00:00",""
"7225256","7.6418","0.0015","21.485","0.004","12.249","0.002","90","","98.71","0.03","90","","1987.9","0.6","293","2","293","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C34 H36 N5 O22 Tm -","- C34 H27 N5 O17 Tm -","- C68 H54 N10 O34 Tm2 -","2","0.5","","Du, Pei-Yao; Gu, Wen; Liu, Xin","Three types of lanthanide coordination polymers from 1D to 3D based on a tetracarboxylate ligand: synthesis, structural diversities and properties","CrystEngComm","2016","18","27","5140","","10.1039/C6CE00600K","","","0.71073","MoKα","","0.0687","0.0665","","","0.1764","0.179","","","","","","1.099","","","","has coordinates,has disorder","185226","2020-10-21","18:00:00",""
"7225257","5.0156","0.001","18.675","0.004","22.796","0.005","90","","95.41","0.03","90","","2125.7","0.8","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H18 N3 O10 Tm -","- C20 H18 N3 O10 Tm -","- C80 H72 N12 O40 Tm4 -","4","1","","Du, Pei-Yao; Gu, Wen; Liu, Xin","Three types of lanthanide coordination polymers from 1D to 3D based on a tetracarboxylate ligand: synthesis, structural diversities and properties","CrystEngComm","2016","18","27","5140","","10.1039/C6CE00600K","","","0.71073","MoKα","","0.0453","0.0374","","","0.074","0.0774","","","","","","1.154","","","","has coordinates","185226","2020-10-21","18:00:00",""
"7225258","6.8757","0.0014","11.325","0.002","13.463","0.003","102.54","0.03","102.36","0.03","90.49","0.03","997.9","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C19 H18 Gd N3 O11 -","- C19 H18 Gd N3 O11 -","- C38 H36 Gd2 N6 O22 -","2","1","","Du, Pei-Yao; Gu, Wen; Liu, Xin","Three types of lanthanide coordination polymers from 1D to 3D based on a tetracarboxylate ligand: synthesis, structural diversities and properties","CrystEngComm","2016","18","27","5140","","10.1039/C6CE00600K","","","0.71073","MoKα","","0.023","0.0213","","","0.0562","0.0569","","","","","","1.063","","","","has coordinates","185226","2020-10-21","18:00:00",""
"7225259","6.9004","0.0014","11.235","0.002","13.381","0.003","102.47","0.03","101.76","0.03","90.56","0.03","990.1","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C19 H18 Er N3 O11 -","- C19 H18 Er N3 O11 -","- C38 H36 Er2 N6 O22 -","2","1","","Du, Pei-Yao; Gu, Wen; Liu, Xin","Three types of lanthanide coordination polymers from 1D to 3D based on a tetracarboxylate ligand: synthesis, structural diversities and properties","CrystEngComm","2016","18","27","5140","","10.1039/C6CE00600K","","","0.71073","MoKα","","0.0535","0.044","","","0.0892","0.0931","","","","","","0.977","","","","has coordinates","185226","2020-10-21","18:00:00",""
"7225260","6.9043","0.0014","11.198","0.002","13.366","0.003","102.73","0.03","101.74","0.03","90.49","0.03","985.4","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C19 H18 N3 O11 Tm -","- C19 H18 N3 O11 Tm -","- C38 H36 N6 O22 Tm2 -","2","1","","Du, Pei-Yao; Gu, Wen; Liu, Xin","Three types of lanthanide coordination polymers from 1D to 3D based on a tetracarboxylate ligand: synthesis, structural diversities and properties","CrystEngComm","2016","18","27","5140","","10.1039/C6CE00600K","","","0.71073","MoKα","","0.0198","0.0179","","","0.0455","0.0459","","","","","","1.048","","","","has coordinates","185226","2020-10-21","18:00:00",""
"7225261","8.476","0.002","9.029","0.002","10.274","0.003","73.979","0.003","85.725","0.003","84.377","0.003","751.2","0.3","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C12 H10 Cd Cl N6 O -","- C12 H10 Cd Cl N6 O -","- C24 H20 Cd2 Cl2 N12 O2 -","2","1","","Wan, Jun; Cai, Song-Liang; Zhang, Kai; Li, Chao-Jie; Feng, Ying; Fan, Jun; Zheng, Sheng-Run; Zhang, Wei-Guang","Anion- and temperature-dependent assembly, crystal structures and luminescence properties of six new Cd(ii) coordination polymers based on 2,3,5,6-tetrakis(2-pyridyl)pyrazine","CrystEngComm","2016","18","27","5164","","10.1039/C6CE00853D","","","0.71073","MoKα","","0.0314","0.028","","","0.0696","0.072","","","","","","1.048","","","","has coordinates","185231","2020-10-21","18:00:00",""
"7225262","6.3373","0.0008","10.7022","0.0014","11.3187","0.0015","107.774","0.002","95.235","0.002","104.287","0.001","696.78","0.16","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C12 H8 Cd N7 O3 -","- C12 H8 Cd N7 O3 -","- C24 H16 Cd2 N14 O6 -","2","1","","Wan, Jun; Cai, Song-Liang; Zhang, Kai; Li, Chao-Jie; Feng, Ying; Fan, Jun; Zheng, Sheng-Run; Zhang, Wei-Guang","Anion- and temperature-dependent assembly, crystal structures and luminescence properties of six new Cd(ii) coordination polymers based on 2,3,5,6-tetrakis(2-pyridyl)pyrazine","CrystEngComm","2016","18","27","5164","","10.1039/C6CE00853D","","","0.71073","MoKα","","0.0302","0.0264","","","0.0597","0.0617","","","","","","1.058","","","","has coordinates","185231","2020-10-21","18:00:00",""
"7225263","10.5519","0.0014","12.7771","0.0017","11.4874","0.0015","90","","93.251","0.002","90","","1546.3","0.4","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C14 H13 Cd N6 O3 -","- C14 H13 Cd N6 O3 -","- C56 H52 Cd4 N24 O12 -","4","1","","Wan, Jun; Cai, Song-Liang; Zhang, Kai; Li, Chao-Jie; Feng, Ying; Fan, Jun; Zheng, Sheng-Run; Zhang, Wei-Guang","Anion- and temperature-dependent assembly, crystal structures and luminescence properties of six new Cd(ii) coordination polymers based on 2,3,5,6-tetrakis(2-pyridyl)pyrazine","CrystEngComm","2016","18","27","5164","","10.1039/C6CE00853D","","","0.71073","MoKα","","0.042","0.0292","","","0.0629","0.069","","","","","","1.013","","","","has coordinates","185231","2020-10-21","18:00:00",""
"7225264","21.508","0.004","14.936","0.003","10.109","0.002","90","","95.266","0.002","90","","3233.7","1.1","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C24 H16 Cd3 N24 -","- C24 H16 Cd3 N24 -","- C96 H64 Cd12 N96 -","4","0.5","","Wan, Jun; Cai, Song-Liang; Zhang, Kai; Li, Chao-Jie; Feng, Ying; Fan, Jun; Zheng, Sheng-Run; Zhang, Wei-Guang","Anion- and temperature-dependent assembly, crystal structures and luminescence properties of six new Cd(ii) coordination polymers based on 2,3,5,6-tetrakis(2-pyridyl)pyrazine","CrystEngComm","2016","18","27","5164","","10.1039/C6CE00853D","","","0.71073","MoKα","","0.051","0.0366","","","0.096","0.106","","","","","","1.045","","","","has coordinates","185231","2020-10-21","18:00:00",""
"7225265","24.09","0.002","14.7011","0.0014","20.418","0.002","90","","122.311","0.001","90","","6111.4","1","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C25 H20 Cd2 N14 O7 -","- C25 H20 Cd2 N14 O7 -","- C200 H160 Cd16 N112 O56 -","8","1","","Wan, Jun; Cai, Song-Liang; Zhang, Kai; Li, Chao-Jie; Feng, Ying; Fan, Jun; Zheng, Sheng-Run; Zhang, Wei-Guang","Anion- and temperature-dependent assembly, crystal structures and luminescence properties of six new Cd(ii) coordination polymers based on 2,3,5,6-tetrakis(2-pyridyl)pyrazine","CrystEngComm","2016","18","27","5164","","10.1039/C6CE00853D","","","0.71073","MoKα","","0.0546","0.0326","","","0.069","0.0795","","","","","","1.03","","","","has coordinates","185231","2020-10-21","18:00:00",""
"7225266","13.076","0.008","12.914","0.008","11.69","0.007","90","","104.749","0.008","90","","1909","2","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H11 Cd2 N12 O2 -","- C14 H11 Cd2 N12 O2 -","- C56 H44 Cd8 N48 O8 -","4","1","","Wan, Jun; Cai, Song-Liang; Zhang, Kai; Li, Chao-Jie; Feng, Ying; Fan, Jun; Zheng, Sheng-Run; Zhang, Wei-Guang","Anion- and temperature-dependent assembly, crystal structures and luminescence properties of six new Cd(ii) coordination polymers based on 2,3,5,6-tetrakis(2-pyridyl)pyrazine","CrystEngComm","2016","18","27","5164","","10.1039/C6CE00853D","","","0.71073","MoKα","","0.0559","0.0358","","","0.068","0.0764","","","","","","1.078","","","","has coordinates","185231","2020-10-21","18:00:00",""
"7225267","24.442","0.004","15.052","0.003","8.5086","0.0015","90","","108.057","0.002","90","","2976.1","0.9","125","2","125","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C34 H32 N2 O4 S2 -","- C34 H32 N2 O4 S2 -","- C136 H128 N8 O16 S8 -","4","0.5","","Payne, Abby-Jo; Hendsbee, Arthur D.; McAfee, Seth M.; Paul, Devproshad K.; Karan, Kunal; Welch, Gregory C.","Synthesis and structure-property relationships of phthalimide and naphthalimide based organic π-conjugated small molecules.","Physical chemistry chemical physics : PCCP","2016","18","21","14709","14719","10.1039/c6cp01596d","","","0.71073","MoKα","","0.0621","0.0453","","","0.1088","0.1178","","","","","","1.051","","","","has coordinates,has disorder","287940","2023-12-01","17:20:57",""
"7225268","5.271","0.007","9.681","0.013","28.26","0.04","90","","94.742","0.016","90","","1437","3","125","2","125","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C34 H32 N2 O4 S2 -","- C34 H32 N2 O4 S2 -","- C68 H64 N4 O8 S4 -","2","0.5","","Payne, Abby-Jo; Hendsbee, Arthur D.; McAfee, Seth M.; Paul, Devproshad K.; Karan, Kunal; Welch, Gregory C.","Synthesis and structure-property relationships of phthalimide and naphthalimide based organic π-conjugated small molecules.","Physical chemistry chemical physics : PCCP","2016","18","21","14709","14719","10.1039/c6cp01596d","","","0.71073","MoKα","","0.2543","0.1412","","","0.3028","0.3692","","","","","","1.013","","","","has coordinates","287940","2023-12-01","17:20:57",""
"7225269","8.87","0.013","9.773","0.014","13.13","0.03","94.98","0.02","93.06","0.02","116.609","0.015","1008","3","125","2","125","2","","","","","","","","5","P -1","-P 1","2","","","","- C48 H48 N2 O4 S2 -","- C48 H48 N2 O4 S2 -","- C48 H48 N2 O4 S2 -","1","0.5","","Payne, Abby-Jo; Hendsbee, Arthur D.; McAfee, Seth M.; Paul, Devproshad K.; Karan, Kunal; Welch, Gregory C.","Synthesis and structure-property relationships of phthalimide and naphthalimide based organic π-conjugated small molecules.","Physical chemistry chemical physics : PCCP","2016","18","21","14709","14719","10.1039/c6cp01596d","","","0.71073","MoKα","","0.2914","0.1161","","","0.2137","0.2638","","","","","","1.082","","","","has coordinates","287940","2023-12-01","17:20:57",""
"7225270","7.8929","0.0013","13.988","0.002","14.098","0.002","100.29","0.002","99.834","0.002","102.275","0.002","1460.7","0.4","125","2","125","2","","","","","","","","5","P -1","-P 1","2","","","","- C34 H32 N2 O4 S2 -","- C34 H32 N2 O4 S2 -","- C68 H64 N4 O8 S4 -","2","1","","Payne, Abby-Jo; Hendsbee, Arthur D.; McAfee, Seth M.; Paul, Devproshad K.; Karan, Kunal; Welch, Gregory C.","Synthesis and structure-property relationships of phthalimide and naphthalimide based organic π-conjugated small molecules.","Physical chemistry chemical physics : PCCP","2016","18","21","14709","14719","10.1039/c6cp01596d","","","0.71073","MoKα","","0.0707","0.0416","","","0.0905","0.1029","","","","","","1.016","","","","has coordinates","287940","2023-12-01","17:20:57",""
"7225271","11.1175","0.0003","14.8652","0.0005","22.9914","0.0007","90","","90","","90","","3799.6","0.2","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","compound 1","","- C26 H28 Cu5 I7 N2 -","- C26 H28 Cu5 I7 N2 -","- C104 H112 Cu20 I28 N8 -","4","1","","Hao, Pengfei; Qiao, Yanrong; yu, tanlai; shen, junju; Liu, Fang; fu, yunlong","Symmetrically Modulated Three Iodocuprate Hybrids by Positional Isomer and Chiral Conformation of N-benzyl-methylpyridinium","RSC Adv.","2016","","","","","10.1039/C6RA08692F","","","0.71073","MoKα","","0.0424","0.0321","","","0.0532","0.0573","","","","","","1.041","","","","has coordinates","183010","2020-10-21","18:00:00",""
"7225272","14.0832","0.0003","10.6623","0.0002","25.2274","0.0006","90","","100.572","0.002","90","","3723.83","0.14","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","compound 2","","- C26 H28 Cu5 I7 N2 -","- C26 H28 Cu5 I7 N2 -","- C104 H112 Cu20 I28 N8 -","4","1","","Hao, Pengfei; Qiao, Yanrong; yu, tanlai; shen, junju; Liu, Fang; fu, yunlong","Symmetrically Modulated Three Iodocuprate Hybrids by Positional Isomer and Chiral Conformation of N-benzyl-methylpyridinium","RSC Adv.","2016","","","","","10.1039/C6RA08692F","","","0.71073","MoKα","","0.0543","0.0397","","","0.0767","0.0823","","","","","","1.071","","","","has coordinates","183010","2020-10-21","18:00:00",""
"7225273","13.6325","0.0003","10.78869","0.00019","15.0331","0.0003","90","","104.237","0.002","90","","2143.11","0.08","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","compound 3","","- C13 H14 Cu4 I5 N O0 -","- C13 H14 Cu4 I5 N -","- C52 H56 Cu16 I20 N4 -","4","1","","Hao, Pengfei; Qiao, Yanrong; yu, tanlai; shen, junju; Liu, Fang; fu, yunlong","Symmetrically Modulated Three Iodocuprate Hybrids by Positional Isomer and Chiral Conformation of N-benzyl-methylpyridinium","RSC Adv.","2016","","","","","10.1039/C6RA08692F","","","0.71073","MoKα","","0.0418","0.032","","","0.071","0.0765","","","","","","1.048","","","","has coordinates","183010","2020-10-21","18:00:00",""
"7225274","11.725","0.002","17.259","0.003","16.041","0.003","90","","90.789","0.009","90","","3245.8","1","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C19 H21 N3 O -","- C19 H21 N3 O -","- C152 H168 N24 O8 -","8","1","","Lezana, Nicolás; Matus-Pérez, Massiel; Galdámez, Antonio; Lühr, Susan; Vilches-Herrera, Marcelo","Highly stereoselective and catalyst-free synthesis of annulated tetrahydropyridines by intramolecular imino-Diels‒Alder reaction under microwave irradiation in water","Green Chem.","2016","18","13","3712","","10.1039/C6GC00912C","","","0.71073","MoKα","","0.106","0.0982","","","0.2434","0.2486","","","","","","1.123","","","","has coordinates","185553","2020-10-21","18:00:00",""
"7225275","13.61","0.003","15.446","0.003","15.506","0.003","98.661","0.003","107.06","0.002","112.68","0.003","2743.8","1","223","2","223","2","","","","","","","","5","P -1","-P 1","2","","","","- C55 H81 N2 Nd O5 -","- C55 H81 N2 Nd O5 -","- C110 H162 N4 Nd2 O10 -","2","1","","Qin, Jie; Xu, Bin; Zhang, Yong; Yuan, Dan; Yao, Yingming","Cooperative rare earth metal‒zinc based heterometallic catalysts for copolymerization of CO2and cyclohexene oxide","Green Chem.","2016","18","15","4270","","10.1039/C6GC00511J","","","0.71075","MoKα","","0.0811","0.0672","","","0.1283","0.1376","","","","","","1.121","","","","has coordinates,has disorder","185556","2020-10-21","18:00:00",""
"7225276","15.2272","0.0013","14.1936","0.0011","24.434","0.002","90","","99.252","0.002","90","","5212.2","0.7","223","2","223","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C55 H79 N2 O4 Y -","- C55 H79 N2 O4 Y -","- C220 H316 N8 O16 Y4 -","4","1","","Qin, Jie; Xu, Bin; Zhang, Yong; Yuan, Dan; Yao, Yingming","Cooperative rare earth metal‒zinc based heterometallic catalysts for copolymerization of CO2and cyclohexene oxide","Green Chem.","2016","18","15","4270","","10.1039/C6GC00511J","","","0.71075","MoKα","","0.1297","0.0851","","","0.1648","0.189","","","","","","1.056","","","","has coordinates,has disorder","185556","2020-10-21","18:00:00",""
"7225277","25.713","0.003","25.211","0.003","25.54","0.003","90","","115.838","0.003","90","","14901","3","223","2","223","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C142 H214 N4 Nd2 O10 Zn -","- C142 H124 N4 Nd2 O10 Zn -","- C568 H496 N16 Nd8 O40 Zn4 -","4","0.5","","Qin, Jie; Xu, Bin; Zhang, Yong; Yuan, Dan; Yao, Yingming","Cooperative rare earth metal‒zinc based heterometallic catalysts for copolymerization of CO2and cyclohexene oxide","Green Chem.","2016","18","15","4270","","10.1039/C6GC00511J","","","0.71075","MoKα","","0.099","0.0813","","","0.2179","0.2378","","","","","","1.069","","","","has coordinates,has disorder","185556","2020-10-21","18:00:00",""
"7225278","15.4391","0.0012","15.4391","0.0012","31.782","0.004","90","","90","","120","","6560.8","1.1","140","1","140","1","","","","","","","","5","R -3 :H","-R 3","148","","","","- C46 H64 Br3 Cl3 O9 -","- C50.41 H40 Br3 Cl3 O4.53 -","- C302.46 H240 Br18 Cl18 O27.18 -","6","0.333333","","Islam, Md. Monarul; Akther, Thamina; Ikejiri, Yusuke; Matsumoto, Taisuke; Tanaka, Junji; Rahman, Shofiur; Georghiou, Paris Elias; Hughes, David L.; Redshaw, Carl; Yamato, Takehiko","Synthesis, structural properties, electrophilic substitution reactions and DFT computational studies of calix[3]benzofurans","RSC Adv.","2016","","","","","10.1039/C6RA06219A","","","0.71073","Mo-Kα","","0.1143","0.0722","","","0.1377","0.1491","","","","","","1.119","","","","has coordinates","183026","2020-10-21","18:00:00",""
"7225279","19.3942","0.0014","19.3942","0.0014","16.5448","0.0006","90","","90","","120","","5389.3","0.6","123","","123","","","","","","","","","3","R -3 :H","-R 3","148","","","","- C39 H42 O3 -","- C39 H42 O3 -","- C234 H252 O18 -","6","0.333333","","Islam, Md. Monarul; Akther, Thamina; Ikejiri, Yusuke; Matsumoto, Taisuke; Tanaka, Junji; Rahman, Shofiur; Georghiou, Paris Elias; Hughes, David L.; Redshaw, Carl; Yamato, Takehiko","Synthesis, structural properties, electrophilic substitution reactions and DFT computational studies of calix[3]benzofurans","RSC Adv.","2016","","","","","10.1039/C6RA06219A","","","1.54187","CuKα","","0.0708","0.0647","","","0.1425","0.1455","","","","","","1.154","","","","has coordinates","183026","2020-10-21","18:00:00",""
"7225280","12.9417","0.0002","21.8435","0.0003","15.0559","0.0002","90","","94.18","0.0013","90","","4244.86","0.1","123","1","123","1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- Cu1.5 H24.5 O52.25 P W12 -","- Cu1.5 O52.25 P W12 -","- Cu6 O209 P4 W48 -","4","1","","Bajpe, Sneha R.; Henke, Sebastian; Lee, Jung-Hoon; Bristowe, Paul D.; Cheetham, Anthony K.","Disorder and polymorphism in Cu(ii)-polyoxometalate complexes: [Cu1.5(H2O)7.5PW12O40]·4.75H2O, cis- & trans-[Cu2(H2O)10SiW12O40]·6H2O","CrystEngComm","2016","18","28","5327","","10.1039/C5CE02088C","","x-ray","0.71073","MoKα","","0.036","0.0291","","","0.0635","0.0656","","","","","","1.167","","","","has coordinates,has disorder","185267","2020-10-21","18:00:00",""
"7225281","12.9789","0.0006","22.2778","0.001","15.469","0.0005","90","","94.527","0.004","90","","4458.8","0.3","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- Cu2 H32 O56 Si W12 -","- Cu2 O56 Si W12 -","- Cu8 O224 Si4 W48 -","4","1","","Bajpe, Sneha R.; Henke, Sebastian; Lee, Jung-Hoon; Bristowe, Paul D.; Cheetham, Anthony K.","Disorder and polymorphism in Cu(ii)-polyoxometalate complexes: [Cu1.5(H2O)7.5PW12O40]·4.75H2O, cis- & trans-[Cu2(H2O)10SiW12O40]·6H2O","CrystEngComm","2016","18","28","5327","","10.1039/C5CE02088C","","x-ray","0.71073","MoKα","","0.0505","0.0373","","","0.0888","0.0969","","","","","","1.081","","","","has coordinates","185267","2020-10-21","18:00:00",""
"7225282","12.8897","0.0004","14.007","0.0005","15.3382","0.0004","63.169","0.003","71.079","0.003","63.827","0.003","2190.49","0.14","125","2","125","2","","","","","","","","5","P -1","-P 1","2","","","","- Cu2 H32 O56 Si W12 -","- Cu2 O56 Si W12 -","- Cu4 O112 Si2 W24 -","2","1","","Bajpe, Sneha R.; Henke, Sebastian; Lee, Jung-Hoon; Bristowe, Paul D.; Cheetham, Anthony K.","Disorder and polymorphism in Cu(ii)-polyoxometalate complexes: [Cu1.5(H2O)7.5PW12O40]·4.75H2O, cis- & trans-[Cu2(H2O)10SiW12O40]·6H2O","CrystEngComm","2016","18","28","5327","","10.1039/C5CE02088C","","x-ray","0.71073","MoKα","","0.031","0.0266","","","0.0576","0.059","","","","","","1.154","","","","has coordinates","185267","2020-10-21","18:00:00",""
"7225283","12.901","0.0003","22.1952","0.0004","15.3468","0.0003","90","","94.432","0.002","90","","4381.27","0.16","123.7","0.6","123.7","0.6","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- Cu2 H32 O56 Si W12 -","- Cu2 O56 Si W12 -","- Cu8 O224 Si4 W48 -","4","1","","Bajpe, Sneha R.; Henke, Sebastian; Lee, Jung-Hoon; Bristowe, Paul D.; Cheetham, Anthony K.","Disorder and polymorphism in Cu(ii)-polyoxometalate complexes: [Cu1.5(H2O)7.5PW12O40]·4.75H2O, cis- & trans-[Cu2(H2O)10SiW12O40]·6H2O","CrystEngComm","2016","18","28","5327","","10.1039/C5CE02088C","","x-ray","0.71073","MoKα","","0.0353","0.0276","","","0.0553","0.0575","","","","","","1.106","","","","has coordinates","185267","2020-10-21","18:00:00",""
"7225284","12.795","0.003","17.242","0.004","16.094","0.004","90","","111.687","0.004","90","","3299.2","1.4","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C48 H40 Cu2 Mo8 N16 O26 -","- C48 H40 Cu2 Mo8 N16 O26 -","- C96 H80 Cu4 Mo16 N32 O52 -","2","0.5","","Wu, Panfeng; Xue, Qi; Dong, Xinbo; Zhang, Yanjie; Liu, Bin; Hu, Huaiming; Xue, Ganglin","pH-Dependent assembly of three novel inorganic‒organic hybrids based on different isopolymolybdates and CuI/II(bbx)nunits","CrystEngComm","2016","18","28","5320","","10.1039/C6CE00776G","","","0.71073","MoKα","","0.0614","0.0385","","","0.0871","0.0973","","","","","","1.023","","","","has coordinates","198633","2020-10-21","18:00:00",""
"7225285","16.2672","0.0018","12.932","0.0016","13.5101","0.0016","90","","107.112","0.002","90","","2716.3","0.6","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C12 H10 Cu Mo N4 O4 -","- C12 H10 Cu Mo N4 O4 -","- C96 H80 Cu8 Mo8 N32 O32 -","8","1","","Wu, Panfeng; Xue, Qi; Dong, Xinbo; Zhang, Yanjie; Liu, Bin; Hu, Huaiming; Xue, Ganglin","pH-Dependent assembly of three novel inorganic‒organic hybrids based on different isopolymolybdates and CuI/II(bbx)nunits","CrystEngComm","2016","18","28","5320","","10.1039/C6CE00776G","","","0.71073","MoKα","","0.0666","0.0595","","","0.1596","0.1684","","","","","","1.035","","","","has coordinates","198633","2020-10-21","18:00:00",""
"7225286","11.833","0.003","13.247","0.003","13.648","0.003","90","","103.555","0.003","90","","2079.8","0.8","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C12 H12 Cu Mo4 N4 O14 -","- C12 H10 Cu Mo4 N4 O14 -","- C48 H40 Cu4 Mo16 N16 O56 -","4","1","","Wu, Panfeng; Xue, Qi; Dong, Xinbo; Zhang, Yanjie; Liu, Bin; Hu, Huaiming; Xue, Ganglin","pH-Dependent assembly of three novel inorganic‒organic hybrids based on different isopolymolybdates and CuI/II(bbx)nunits","CrystEngComm","2016","18","28","5320","","10.1039/C6CE00776G","","","0.71073","MoKα","","0.0603","0.0532","","","0.1484","0.1546","","","","","","0.996","","","","has coordinates","198633","2020-10-21","18:00:00",""
"7225287","6.2723","0.0012","6.2723","0.0012","6.2723","0.0012","90","","90","","90","","246.76","0.08","293","2","293","2","","","","","","","","5","P m -3 m","-P 4 2 3","221","","CH3NH3PbI3","","- C H6 I3 N Pb -","- C I3 N Pb -","- C I3 N Pb -","1","0.0208333","","Luan, Mengyu; Song, Junling; Wei, Xiangfeng; Chen, Fang; Liu, Jiehua","Controllable growth of bulk cubic-phase CH3NH3PbI3single crystal with exciting room-temperature stability","CrystEngComm","2016","18","28","5257","","10.1039/C6CE00375C","","","0.71073","MoKα","","0.0433","0.0418","","","0.1016","0.1036","","","","","","1.2","","","","has coordinates","185272","2020-10-21","18:00:00",""
"7225288","8.6729","0.0015","11.3034","0.0019","13.751","0.002","85.039","0.003","74.421","0.003","78.507","0.003","1271.7","0.4","293","","293","","","","","","","","","7","P -1","-P 1","2","","","","- C18 H33 B2 F8 Ir N4 O2 -","- C18 H33 B2 F8 Ir N4 O2 -","- C36 H66 B4 F16 Ir2 N8 O4 -","2","1","","Lu, Sheng-Mei; Wang, Zhijun; Li, Jun; Xiao, Jianliang; Li, Can","Base-free hydrogenation of CO2to formic acid in water with an iridium complex bearing a N,N′-diimine ligand","Green Chem.","2016","18","16","4553","","10.1039/C6GC00856A","","","0.71073","MoKα","","0.068","0.0486","","","0.1202","0.1312","","","","","","1.021","","","","has coordinates,has disorder","186446","2020-10-21","18:00:00",""
"7225289","15.22","0.003","6.8071","0.0014","15.097","0.003","90","","115.9","0.03","90","","1407","0.6","113","2","113","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C10 H11 Cl2 N5 O S Zn -","- C10 H11 Cl2 N5 O S Zn -","- C40 H44 Cl8 N20 O4 S4 Zn4 -","4","1","","Lin, Xu-Dong; Peng, Biao; Li, Shaoyong; Shao, Jia; Li, Qingzhong; Xie, Cheng-Zhi; Xu, Jing-Yuan","Novel Zn(II)-thiazolone-based Solid Fluorescent Chemosensors: Naked-eye Detection for Acid/Base and Toluene","RSC Adv.","2016","","","","","10.1039/C6RA06412D","","","0.71073","MoKα","","0.0537","0.0454","","","0.1097","0.1152","","","","","","0.99","","","","has coordinates","183042","2020-10-21","18:00:00",""
"7225290","11.624","0.002","11.064","0.002","12.437","0.003","90","","100.48","0.03","90","","1572.8","0.6","113","2","113","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C11 H13 Cl2 N5 O S Zn -","- C11 H13 Cl2 N5 O S Zn -","- C44 H52 Cl8 N20 O4 S4 Zn4 -","4","1","","Lin, Xu-Dong; Peng, Biao; Li, Shaoyong; Shao, Jia; Li, Qingzhong; Xie, Cheng-Zhi; Xu, Jing-Yuan","Novel Zn(II)-thiazolone-based Solid Fluorescent Chemosensors: Naked-eye Detection for Acid/Base and Toluene","RSC Adv.","2016","","","","","10.1039/C6RA06412D","","","0.71073","MoKα","","0.0339","0.0264","","","0.0617","0.0641","","","","","","1.002","","","","has coordinates","183042","2020-10-21","18:00:00",""
"7225291","7.8176","0.0016","10.961","0.002","17.17","0.003","90","","92.17","0.03","90","","1470.2","0.5","113","2","113","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C9 H11 Cl2 N5 O2 S Zn -","- C9 H11 Cl2 N5 O2 S Zn -","- C36 H44 Cl8 N20 O8 S4 Zn4 -","4","1","","Lin, Xu-Dong; Peng, Biao; Li, Shaoyong; Shao, Jia; Li, Qingzhong; Xie, Cheng-Zhi; Xu, Jing-Yuan","Novel Zn(II)-thiazolone-based Solid Fluorescent Chemosensors: Naked-eye Detection for Acid/Base and Toluene","RSC Adv.","2016","","","","","10.1039/C6RA06412D","","","0.71073","MoKα","","0.0733","0.0493","","","0.1043","0.118","","","","","","0.938","","","","has coordinates","183042","2020-10-21","18:00:00",""
"7225292","14.955","0.003","32.318","0.007","6.8184","0.0014","90","","90","","90","","3295.4","1.2","293","2","293","2","","","","","","","","3","P 21 21 2","P 2 2ab","18","","ciclesonide cyclohexane solvate","","- C35 H50 O7 -","- C35 H50 O7 -","- C140 H200 O28 -","4","1","","Zhou, Li na; Yin, Qiuxiang; Du, Shichao; Hao, Hongxun; Li, Yanfeng; Mingyan, Liu; Hou, Baohong","Crystal structure, thermal crystal form transformation, desolvation process and desolvation kinetics of two novel solvates of ciclesonide","RSC Adv.","2016","","","","","10.1039/C6RA08351J","","","0.71073","MoKα","","0.1226","0.0742","","","0.1484","0.1654","","","","","","1.123","","","","has coordinates","183043","2020-10-21","18:00:00",""
"7225293","11.0007","0.0011","11.0007","0.0011","25.559","0.004","90","","90","","90","","3093","0.7","386","2","386","2","","","","","","","","3","P 43","P 4cw","78","","ciclesonide methanol solvate","","- C33 H48 O8 -","- C33 H48 O8 -","- C132 H192 O32 -","4","1","","Zhou, Li na; Yin, Qiuxiang; Du, Shichao; Hao, Hongxun; Li, Yanfeng; Mingyan, Liu; Hou, Baohong","Crystal structure, thermal crystal form transformation, desolvation process and desolvation kinetics of two novel solvates of ciclesonide","RSC Adv.","2016","","","","","10.1039/C6RA08351J","","","0.71073","MoKα","","0.0343","0.0323","","","0.1011","0.1034","","","","","","1.024","","","","has coordinates","183043","2020-10-21","18:00:00",""
"7225294","25.7165","0.0008","7.5044","0.0002","16.189","0.0005","90","","113.067","0.002","90","","2874.47","0.15","294","2","294","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C32 H26 N2 O4 S2 Zn -","- C32 H26 N2 O4 S2 Zn -","- C128 H104 N8 O16 S8 Zn4 -","4","0.5","","Sinha, Chittaranjan; Patra, Chiranjit; Bhanja, Anup Kumar; Sen, Chandana; Ojha, Durbadal; Chattopadhyay, Debprasad; Mahapatra, Ambikesh","Imine functionalized thioether Zn(II) turn-on fluorescent sensor and selective sequential logic operations with H2PO4-, DFT computation and live cell imaging","RSC Adv.","2016","","","","","10.1039/C6RA07089B","","","0.71073","MoKα","","0.0544","0.0365","","","0.113","0.1269","","","","","","0.857","","","","has coordinates","183044","2020-10-21","18:00:00",""
"7225295","12.8423","0.0008","12.9467","0.0008","23.9678","0.0014","81.481","0.001","86.357","0.001","70.63","0.001","3717.5","0.4","180","2","180","2","","","","","","","","6","P -1","-P 1","2","","","","- C51 H51 Cu2 N12 O44 W10 -","- C51 H51 Cu2 N12 O44 W10 -","- C102 H102 Cu4 N24 O88 W20 -","2","1","","Shi, Dongying; Zeng, Le; Ming, Zheng; He, Cheng; Meng, Changgong; Duan, Chun-ying","A breathing MOF: Direct crystallographic observation of the site-selective C(sp3)‒H functionalization","RSC Adv.","2016","","","","","10.1039/C6RA07100G","","","0.71073","MoKα","","0.1221","0.0762","","","0.1252","0.1363","","","","","","1.075","","","","has coordinates","183045","2020-10-21","18:00:00",""
"7225296","13.0242","0.0007","13.7795","0.0008","23.9552","0.0014","81.259","0.003","86.49","0.003","70.046","0.002","3993.9","0.4","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C50 H51 Cu2 N10 O44 W10 -","- C50 H48 Cu2 N10 O44 W10 -","- C100 H96 Cu4 N20 O88 W20 -","2","1","","Shi, Dongying; Zeng, Le; Ming, Zheng; He, Cheng; Meng, Changgong; Duan, Chun-ying","A breathing MOF: Direct crystallographic observation of the site-selective C(sp3)‒H functionalization","RSC Adv.","2016","","","","","10.1039/C6RA07100G","","","0.71073","MoKα","","0.1052","0.0746","","","0.2015","0.2181","","","","","","1.049","","","","has coordinates,has disorder","183045","2020-10-21","18:00:00",""
"7225297","9.5942","0.0006","11.3101","0.0007","16.433","0.001","90","","96.693","0.001","90","","1771.01","0.19","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","9-(pyrimidin-2-yl)-1-(p-tolyl)-9H-carbazole","","- C23 H17 N3 -","- C23 H17 N3 -","- C92 H68 N12 -","4","1","","k, harsha vardhan reddy; R, Uday Kumar; V, Prakash reddy; G, Satish; Nanubolu, Jagadeesh Babu; Yadavalli, Venkata Durga Nageswar","Ru-Catalyzed highly site-selective C-H bond arylation of 9-(pyrimidin-2-yl)-9H-carbazole","RSC Adv.","2016","","","","","10.1039/C6RA09825H","","","0.71073","MoKα","","0.0415","0.0377","","","0.1041","0.1089","","","","","","1.035","","","","has coordinates","183046","2020-10-21","18:00:00",""
"7225298","10.8667","0.0011","12.1727","0.0013","15.0448","0.0016","90","","91.473","0.002","90","","1989.4","0.4","130","","130","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","2,2,2-trinitroethyl","","","- C6 H8 N10 O21 -","- C6 H8 N10 O21 -","- C24 H32 N40 O84 -","4","1","","Li, Ying; Huang, Haifeng; Lin, Xiangyang; Pan, Renming; Yang, Jun","Oxygen-rich anion based energetic salts with high detonation performances","RSC Adv.","2016","","","","","10.1039/C6RA10756G","","","0.71073","MoKα","","0.0719","0.0458","","","0.1111","0.1244","","","","","","1.012","","","","has coordinates,has disorder","183048","2020-10-21","18:00:00",""
"7225299","6.0529","0.001","9.9796","0.0017","11.0845","0.0018","77.305","0.003","82.986","0.003","80.736","0.003","642.06","0.18","130","","130","","","","","","","","","4","P -1","-P 1","2","","4-Amino-1,2,4-triazolium 2,2,2-trinitroethyl nitrocarbamate","","- C5 H7 N9 O10 -","- C5 H7 N9 O10 -","- C10 H14 N18 O20 -","2","1","","Li, Ying; Huang, Haifeng; Lin, Xiangyang; Pan, Renming; Yang, Jun","Oxygen-rich anion based energetic salts with high detonation performances","RSC Adv.","2016","","","","","10.1039/C6RA10756G","","","0.71073","MoKα","","0.0624","0.0415","","","0.091","0.1006","","","","","","1.03","","","","has coordinates","183048","2020-10-21","18:00:00",""
"7225300","29.106","0.004","7.0395","0.0009","6.465","0.0008","90","","90","","90","","1324.6","0.3","130","","130","","","","","","","","","4","P c a 21","P 2c -2ac","29","","3-Amino-1,2,4-triazolium 2,2,2-trinitroethyl nitrocarbamate","","- C5 H7 N9 O10 -","- C5 H7 N9 O10 -","- C20 H28 N36 O40 -","4","1","","Li, Ying; Huang, Haifeng; Lin, Xiangyang; Pan, Renming; Yang, Jun","Oxygen-rich anion based energetic salts with high detonation performances","RSC Adv.","2016","","","","","10.1039/C6RA10756G","","","0.71073","MoKα","","0.0438","0.0366","","","0.0805","0.0845","","","","","","1.031","","","","has coordinates","183048","2020-10-21","18:00:00",""
"7225301","14.7423","0.0016","6.4498","0.0007","12.4148","0.0013","90","","102.507","0.002","90","","1152.4","0.2","130","","130","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Ammonium 2,2,2-trinitroethyl nitrocarbamate","","- C3 H8 N6 O11 -","- C3 H8 N6 O11 -","- C12 H32 N24 O44 -","4","1","","Li, Ying; Huang, Haifeng; Lin, Xiangyang; Pan, Renming; Yang, Jun","Oxygen-rich anion based energetic salts with high detonation performances","RSC Adv.","2016","","","","","10.1039/C6RA10756G","","","0.71073","MoKα","","0.0451","0.0356","","","0.0899","0.0954","","","","","","1.064","","","","has coordinates","206958","2020-10-21","18:00:00",""
"7225302","14.7021","0.0011","7.1057","0.0008","9.676","0.0007","90","","90","","90","","1010.84","0.15","100","2","100","2","","","","","","","","5","P n m a","-P 2ac 2n","62","nitro-pentaammine-Co(III)-chloride-nitrate","nitro-pentaammine-Co(III)-chloride-nitrate","","- Cl Co H15 N7 O5 -","- Cl Co H15 N7 O5 -","- Cl4 Co4 H60 N28 O20 -","4","0.5","","Sidelnikov, A. A.; Chizhik, S. A.; Zakharov, B. A.; Chupakhin, A. P.; Boldyreva, E. V.","The effect of thermal expansion on photoisomerisation in the crystals of [Co(NH3)5NO2]Cl(NO3): different strain origins ‒ different outcomes","CrystEngComm","2016","18","38","7276","","10.1039/C6CE00840B","","","0.71073","MoKα","","0.024","0.0189","","","0.0464","0.0475","","","","","","1.023","","","","has coordinates","187030","2020-10-21","18:00:00",""
"7225303","14.7044","0.0011","7.1209","0.0008","9.6716","0.0007","90","","90","","90","","1012.7","0.16","113","2","113","2","","","","","","","","5","P n m a","-P 2ac 2n","62","nitro-pentaammine-Co(III)-chloride-nitrate","nitro-pentaammine-Co(III)-chloride-nitrate","","- Cl Co H15 N7 O5 -","- Cl Co H15 N7 O5 -","- Cl4 Co4 H60 N28 O20 -","4","0.5","","Sidelnikov, A. A.; Chizhik, S. A.; Zakharov, B. A.; Chupakhin, A. P.; Boldyreva, E. V.","The effect of thermal expansion on photoisomerisation in the crystals of [Co(NH3)5NO2]Cl(NO3): different strain origins ‒ different outcomes","CrystEngComm","2016","18","38","7276","","10.1039/C6CE00840B","","","0.71073","MoKα","","0.0245","0.0198","","","0.0481","0.0491","","","","","","1.023","","","","has coordinates","187030","2020-10-21","18:00:00",""
"7225304","14.7115","0.0011","7.1415","0.0008","9.6639","0.0007","90","","90","","90","","1015.31","0.16","133","2","133","2","","","","","","","","5","P n m a","-P 2ac 2n","62","nitro-pentaammine-Co(III)-chloride-nitrate","nitro-pentaammine-Co(III)-chloride-nitrate","","- Cl Co H15 N7 O5 -","- Cl Co H15 N7 O5 -","- Cl4 Co4 H60 N28 O20 -","4","0.5","","Sidelnikov, A. A.; Chizhik, S. A.; Zakharov, B. A.; Chupakhin, A. P.; Boldyreva, E. V.","The effect of thermal expansion on photoisomerisation in the crystals of [Co(NH3)5NO2]Cl(NO3): different strain origins ‒ different outcomes","CrystEngComm","2016","18","38","7276","","10.1039/C6CE00840B","","","0.71073","MoKα","","0.0253","0.0203","","","0.0508","0.0519","","","","","","1.024","","","","has coordinates","187030","2020-10-21","18:00:00",""
"7225305","14.7211","0.0011","7.1625","0.0008","9.6562","0.0007","90","","90","","90","","1018.15","0.16","153","2","153","2","","","","","","","","5","P n m a","-P 2ac 2n","62","nitro-pentaammine-Co(III)-chloride-nitrate","nitro-pentaammine-Co(III)-chloride-nitrate","","- Cl Co H15 N7 O5 -","- Cl Co H15 N7 O5 -","- Cl4 Co4 H60 N28 O20 -","4","0.5","","Sidelnikov, A. A.; Chizhik, S. A.; Zakharov, B. A.; Chupakhin, A. P.; Boldyreva, E. V.","The effect of thermal expansion on photoisomerisation in the crystals of [Co(NH3)5NO2]Cl(NO3): different strain origins ‒ different outcomes","CrystEngComm","2016","18","38","7276","","10.1039/C6CE00840B","","","0.71073","MoKα","","0.0261","0.0209","","","0.051","0.0523","","","","","","1.034","","","","has coordinates","187030","2020-10-21","18:00:00",""
"7225306","14.7279","0.0011","7.1809","0.0008","9.6504","0.0007","90","","90","","90","","1020.62","0.16","173","2","173","2","","","","","","","","5","P n m a","-P 2ac 2n","62","nitro-pentaammine-Co(III)-chloride-nitrate","nitro-pentaammine-Co(III)-chloride-nitrate","","- Cl Co H15 N7 O5 -","- Cl Co H15 N7 O5 -","- Cl4 Co4 H60 N28 O20 -","4","0.5","","Sidelnikov, A. A.; Chizhik, S. A.; Zakharov, B. A.; Chupakhin, A. P.; Boldyreva, E. V.","The effect of thermal expansion on photoisomerisation in the crystals of [Co(NH3)5NO2]Cl(NO3): different strain origins ‒ different outcomes","CrystEngComm","2016","18","38","7276","","10.1039/C6CE00840B","","","0.71073","MoKα","","0.0263","0.0211","","","0.0519","0.053","","","","","","1.041","","","","has coordinates","187030","2020-10-21","18:00:00",""
"7225307","14.739","0.0011","7.2001","0.0008","9.6461","0.0007","90","","90","","90","","1023.67","0.16","193","2","193","2","","","","","","","","5","P n m a","-P 2ac 2n","62","nitro-pentaammine-Co(III)-chloride-nitrate","nitro-pentaammine-Co(III)-chloride-nitrate","","- Cl Co H15 N7 O5 -","- Cl Co H15 N7 O5 -","- Cl4 Co4 H60 N28 O20 -","4","0.5","","Sidelnikov, A. A.; Chizhik, S. A.; Zakharov, B. A.; Chupakhin, A. P.; Boldyreva, E. V.","The effect of thermal expansion on photoisomerisation in the crystals of [Co(NH3)5NO2]Cl(NO3): different strain origins ‒ different outcomes","CrystEngComm","2016","18","38","7276","","10.1039/C6CE00840B","","","0.71073","MoKα","","0.0273","0.0218","","","0.0522","0.0536","","","","","","1.065","","","","has coordinates","187030","2020-10-21","18:00:00",""
"7225308","14.736","0.002","7.222","0.0011","9.6239","0.0013","90","","90","","90","","1024.2","0.3","213","2","213","2","","","","","","","","5","P n m a","-P 2ac 2n","62","nitro-pentaammine-Co(III)-chloride-nitrate","nitro-pentaammine-Co(III)-chloride-nitrate","","- Cl Co H15 N7 O5 -","- Cl Co H15 N7 O5 -","- Cl4 Co4 H60 N28 O20 -","4","0.5","","Sidelnikov, A. A.; Chizhik, S. A.; Zakharov, B. A.; Chupakhin, A. P.; Boldyreva, E. V.","The effect of thermal expansion on photoisomerisation in the crystals of [Co(NH3)5NO2]Cl(NO3): different strain origins ‒ different outcomes","CrystEngComm","2016","18","38","7276","","10.1039/C6CE00840B","","","0.71073","MoKα","","0.0313","0.0262","","","0.0603","0.0625","","","","","","1.098","","","","has coordinates","187030","2020-10-21","18:00:00",""
"7225309","14.755","0.002","7.2394","0.0011","9.6181","0.0013","90","","90","","90","","1027.4","0.3","233","2","233","2","","","","","","","","5","P n m a","-P 2ac 2n","62","nitro-pentaammine-Co(III)-chloride-nitrate","nitro-pentaammine-Co(III)-chloride-nitrate","","- Cl Co H15 N7 O5 -","- Cl Co H15 N7 O5 -","- Cl4 Co4 H60 N28 O20 -","4","0.5","","Sidelnikov, A. A.; Chizhik, S. A.; Zakharov, B. A.; Chupakhin, A. P.; Boldyreva, E. V.","The effect of thermal expansion on photoisomerisation in the crystals of [Co(NH3)5NO2]Cl(NO3): different strain origins ‒ different outcomes","CrystEngComm","2016","18","38","7276","","10.1039/C6CE00840B","","","0.71073","MoKα","","0.0324","0.0268","","","0.0613","0.0638","","","","","","1.099","","","","has coordinates","187030","2020-10-21","18:00:00",""
"7225310","14.77","0.002","7.254","0.0011","9.6152","0.0013","90","","90","","90","","1030.2","0.3","253","2","253","2","","","","","","","","5","P n m a","-P 2ac 2n","62","nitro-pentaammine-Co(III)-chloride-nitrate","nitro-pentaammine-Co(III)-chloride-nitrate","","- Cl Co H15 N7 O5 -","- Cl Co H15 N7 O5 -","- Cl4 Co4 H60 N28 O20 -","4","0.5","","Sidelnikov, A. A.; Chizhik, S. A.; Zakharov, B. A.; Chupakhin, A. P.; Boldyreva, E. V.","The effect of thermal expansion on photoisomerisation in the crystals of [Co(NH3)5NO2]Cl(NO3): different strain origins ‒ different outcomes","CrystEngComm","2016","18","38","7276","","10.1039/C6CE00840B","","","0.71073","MoKα","","0.0329","0.0273","","","0.0632","0.0658","","","","","","1.076","","","","has coordinates","187030","2020-10-21","18:00:00",""
"7225311","14.787","0.002","7.2696","0.0011","9.6113","0.0013","90","","90","","90","","1033.2","0.3","273","2","273","2","","","","","","","","5","P n m a","-P 2ac 2n","62","nitro-pentaammine-Co(III)-chloride-nitrate","nitro-pentaammine-Co(III)-chloride-nitrate","","- Cl Co H15 N7 O5 -","- Cl Co H15 N7 O5 -","- Cl4 Co4 H60 N28 O20 -","4","0.5","","Sidelnikov, A. A.; Chizhik, S. A.; Zakharov, B. A.; Chupakhin, A. P.; Boldyreva, E. V.","The effect of thermal expansion on photoisomerisation in the crystals of [Co(NH3)5NO2]Cl(NO3): different strain origins ‒ different outcomes","CrystEngComm","2016","18","38","7276","","10.1039/C6CE00840B","","","0.71073","MoKα","","0.0339","0.0272","","","0.0638","0.0663","","","","","","1.081","","","","has coordinates","187030","2020-10-21","18:00:00",""
"7225312","14.804","0.002","7.2851","0.0011","9.6112","0.0014","90","","90","","90","","1036.6","0.3","293","2","293","2","","","","","","","","5","P n m a","-P 2ac 2n","62","nitro-pentaammine-Co(III)-chloride-nitrate","nitro-pentaammine-Co(III)-chloride-nitrate","","- Cl Co H15 N7 O5 -","- Cl Co H15 N7 O5 -","- Cl4 Co4 H60 N28 O20 -","4","0.5","","Sidelnikov, A. A.; Chizhik, S. A.; Zakharov, B. A.; Chupakhin, A. P.; Boldyreva, E. V.","The effect of thermal expansion on photoisomerisation in the crystals of [Co(NH3)5NO2]Cl(NO3): different strain origins ‒ different outcomes","CrystEngComm","2016","18","38","7276","","10.1039/C6CE00840B","","","0.71073","MoKα","","0.0342","0.0268","","","0.0619","0.0647","","","","","","1.084","","","","has coordinates","187030","2020-10-21","18:00:00",""
"7225313","14.815","0.002","7.2951","0.0011","9.6129","0.0013","90","","90","","90","","1038.9","0.3","303","2","303","2","","","","","","","","5","P n m a","-P 2ac 2n","62","nitro-pentaammine-Co(III)-chloride-nitrate","nitro-pentaammine-Co(III)-chloride-nitrate","","- Cl Co H15 N7 O5 -","- Cl Co H15 N7 O5 -","- Cl4 Co4 H60 N28 O20 -","4","0.5","","Sidelnikov, A. A.; Chizhik, S. A.; Zakharov, B. A.; Chupakhin, A. P.; Boldyreva, E. V.","The effect of thermal expansion on photoisomerisation in the crystals of [Co(NH3)5NO2]Cl(NO3): different strain origins ‒ different outcomes","CrystEngComm","2016","18","38","7276","","10.1039/C6CE00840B","","","0.71073","MoKα","","0.0326","0.0266","","","0.0608","0.0631","","","","","","1.123","","","","has coordinates","187030","2020-10-21","18:00:00",""
"7225314","14.825","0.002","7.3004","0.0011","9.6126","0.0014","90","","90","","90","","1040.4","0.3","313","2","313","2","","","","","","","","5","P n m a","-P 2ac 2n","62","nitro-pentaammine-Co(III)-chloride-nitrate","nitro-pentaammine-Co(III)-chloride-nitrate","","- Cl Co H15 N7 O5 -","- Cl Co H15 N7 O5 -","- Cl4 Co4 H60 N28 O20 -","4","0.5","","Sidelnikov, A. A.; Chizhik, S. A.; Zakharov, B. A.; Chupakhin, A. P.; Boldyreva, E. V.","The effect of thermal expansion on photoisomerisation in the crystals of [Co(NH3)5NO2]Cl(NO3): different strain origins ‒ different outcomes","CrystEngComm","2016","18","38","7276","","10.1039/C6CE00840B","","","0.71073","MoKα","","0.0334","0.0268","","","0.0624","0.0647","","","","","","1.125","","","","has coordinates","187030","2020-10-21","18:00:00",""
"7225315","14.832","0.002","7.3084","0.0011","9.6102","0.0014","90","","90","","90","","1041.7","0.3","323","2","323","2","","","","","","","","5","P n m a","-P 2ac 2n","62","nitro-pentaammine-Co(III)-chloride-nitrate","nitro-pentaammine-Co(III)-chloride-nitrate","","- Cl Co H15 N7 O5 -","- Cl Co H15 N7 O5 -","- Cl4 Co4 H60 N28 O20 -","4","0.5","","Sidelnikov, A. A.; Chizhik, S. A.; Zakharov, B. A.; Chupakhin, A. P.; Boldyreva, E. V.","The effect of thermal expansion on photoisomerisation in the crystals of [Co(NH3)5NO2]Cl(NO3): different strain origins ‒ different outcomes","CrystEngComm","2016","18","38","7276","","10.1039/C6CE00840B","","","0.71073","MoKα","","0.0345","0.0273","","","0.0635","0.0661","","","","","","1.106","","","","has coordinates","187030","2020-10-21","18:00:00",""
"7225316","14.841","0.002","7.3153","0.0011","9.61","0.0013","90","","90","","90","","1043.3","0.3","333","2","333","2","","","","","","","","5","P n m a","-P 2ac 2n","62","nitro-pentaammine-Co(III)-chloride-nitrate","nitro-pentaammine-Co(III)-chloride-nitrate","","- Cl Co H15 N7 O5 -","- Cl Co H15 N7 O5 -","- Cl4 Co4 H60 N28 O20 -","4","0.5","","Sidelnikov, A. A.; Chizhik, S. A.; Zakharov, B. A.; Chupakhin, A. P.; Boldyreva, E. V.","The effect of thermal expansion on photoisomerisation in the crystals of [Co(NH3)5NO2]Cl(NO3): different strain origins ‒ different outcomes","CrystEngComm","2016","18","38","7276","","10.1039/C6CE00840B","","","0.71073","MoKα","","0.0341","0.0282","","","0.0651","0.0673","","","","","","1.106","","","","has coordinates","187030","2020-10-21","18:00:00",""
"7225317","14.851","0.002","7.3236","0.0011","9.609","0.0013","90","","90","","90","","1045.1","0.3","343","2","343","2","","","","","","","","5","P n m a","-P 2ac 2n","62","nitro-pentaammine-Co(III)-chloride-nitrate","nitro-pentaammine-Co(III)-chloride-nitrate","","- Cl Co H15 N7 O5 -","- Cl Co H15 N7 O5 -","- Cl4 Co4 H60 N28 O20 -","4","0.5","","Sidelnikov, A. A.; Chizhik, S. A.; Zakharov, B. A.; Chupakhin, A. P.; Boldyreva, E. V.","The effect of thermal expansion on photoisomerisation in the crystals of [Co(NH3)5NO2]Cl(NO3): different strain origins ‒ different outcomes","CrystEngComm","2016","18","38","7276","","10.1039/C6CE00840B","","","0.71073","MoKα","","0.0355","0.0282","","","0.0643","0.0671","","","","","","1.098","","","","has coordinates","187030","2020-10-21","18:00:00",""
"7225318","14.86","0.002","7.3294","0.0011","9.6098","0.0014","90","","90","","90","","1046.7","0.3","353","2","353","2","","","","","","","","5","P n m a","-P 2ac 2n","62","nitro-pentaammine-Co(III)-chloride-nitrate","nitro-pentaammine-Co(III)-chloride-nitrate","","- Cl Co H15 N7 O5 -","- Cl Co H15 N7 O5 -","- Cl4 Co4 H60 N28 O20 -","4","0.5","","Sidelnikov, A. A.; Chizhik, S. A.; Zakharov, B. A.; Chupakhin, A. P.; Boldyreva, E. V.","The effect of thermal expansion on photoisomerisation in the crystals of [Co(NH3)5NO2]Cl(NO3): different strain origins ‒ different outcomes","CrystEngComm","2016","18","38","7276","","10.1039/C6CE00840B","","","0.71073","MoKα","","0.0359","0.029","","","0.0645","0.067","","","","","","1.094","","","","has coordinates","187030","2020-10-21","18:00:00",""
"7225319","14.872","0.002","7.3394","0.0011","9.6071","0.0014","90","","90","","90","","1048.6","0.3","363","2","363","2","","","","","","","","5","P n m a","-P 2ac 2n","62","nitro-pentaammine-Co(III)-chloride-nitrate","nitro-pentaammine-Co(III)-chloride-nitrate","","- Cl Co H15 N7 O5 -","- Cl Co H15 N7 O5 -","- Cl4 Co4 H60 N28 O20 -","4","0.5","","Sidelnikov, A. A.; Chizhik, S. A.; Zakharov, B. A.; Chupakhin, A. P.; Boldyreva, E. V.","The effect of thermal expansion on photoisomerisation in the crystals of [Co(NH3)5NO2]Cl(NO3): different strain origins ‒ different outcomes","CrystEngComm","2016","18","38","7276","","10.1039/C6CE00840B","","","0.71073","MoKα","","0.0356","0.028","","","0.0631","0.0663","","","","","","1.056","","","","has coordinates","187030","2020-10-21","18:00:00",""
"7225320","14.877","0.002","7.3463","0.0012","9.6072","0.0014","90","","90","","90","","1050","0.3","373","2","373","2","","","","","","","","5","P n m a","-P 2ac 2n","62","nitro-pentaammine-Co(III)-chloride-nitrate","nitro-pentaammine-Co(III)-chloride-nitrate","","- Cl Co H15 N7 O5 -","- Cl Co H15 N7 O5 -","- Cl4 Co4 H60 N28 O20 -","4","0.5","","Sidelnikov, A. A.; Chizhik, S. A.; Zakharov, B. A.; Chupakhin, A. P.; Boldyreva, E. V.","The effect of thermal expansion on photoisomerisation in the crystals of [Co(NH3)5NO2]Cl(NO3): different strain origins ‒ different outcomes","CrystEngComm","2016","18","38","7276","","10.1039/C6CE00840B","","","0.71073","MoKα","","0.0377","0.0288","","","0.0643","0.0679","","","","","","1.058","","","","has coordinates","187030","2020-10-21","18:00:00",""
"7225321","14.881","0.002","7.3506","0.0012","9.6096","0.0014","90","","90","","90","","1051.1","0.3","383","2","383","2","","","","","","","","5","P n m a","-P 2ac 2n","62","nitro-pentaammine-Co(III)-chloride-nitrate","nitro-pentaammine-Co(III)-chloride-nitrate","","- Cl Co H15 N7 O5 -","- Cl Co H15 N7 O5 -","- Cl4 Co4 H60 N28 O20 -","4","0.5","","Sidelnikov, A. A.; Chizhik, S. A.; Zakharov, B. A.; Chupakhin, A. P.; Boldyreva, E. V.","The effect of thermal expansion on photoisomerisation in the crystals of [Co(NH3)5NO2]Cl(NO3): different strain origins ‒ different outcomes","CrystEngComm","2016","18","38","7276","","10.1039/C6CE00840B","","","0.71073","MoKα","","0.037","0.0288","","","0.0658","0.0689","","","","","","1.053","","","","has coordinates","187030","2020-10-21","18:00:00",""
"7225322","14.896","0.003","7.3587","0.0015","9.6062","0.0017","90","","90","","90","","1053","0.4","393","2","393","2","","","","","","","","5","P n m a","-P 2ac 2n","62","nitro-pentaammine-Co(III)-chloride-nitrate","nitro-pentaammine-Co(III)-chloride-nitrate","","- Cl Co H15 N7 O5 -","- Cl Co H15 N7 O5 -","- Cl4 Co4 H60 N28 O20 -","4","0.5","","Sidelnikov, A. A.; Chizhik, S. A.; Zakharov, B. A.; Chupakhin, A. P.; Boldyreva, E. V.","The effect of thermal expansion on photoisomerisation in the crystals of [Co(NH3)5NO2]Cl(NO3): different strain origins ‒ different outcomes","CrystEngComm","2016","18","38","7276","","10.1039/C6CE00840B","","","0.71073","MoKα","","0.0375","0.0287","","","0.0637","0.067","","","","","","1.074","","","","has coordinates","187030","2020-10-21","18:00:00",""
"7225323","10.3704","0.0006","11.6346","0.0006","15.6401","0.0009","90","","90","","90","","1887.06","0.18","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","[(+)-(1S,2R)-Z-diethylaminocarbonyl-2-aminomethyl-1-phenyl-cyclopropane]","","- C19 H28 N2 O2 -","- C19 H28 N2 O2 -","- C76 H112 N8 O8 -","4","1","","Sanfilippo, Claudia; Forni, Alessandra; Patti, Angela","Characterization of a conglomerate-forming derivative of (±)-milnacipran and its enantiomeric resolution by preferential crystallization","RSC Adv.","2016","","","","","10.1039/C6RA07745E","","","0.71073","MoKα","","0.0384","0.0345","","","0.0966","0.1003","","","","","","1.04","","","","has coordinates","183071","2020-10-21","18:00:00",""
"7225324","9.3414","0.0012","11.5761","0.0015","12.578","0.0015","116.11","0.004","106.926","0.004","96.199","0.004","1123.4","0.3","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C28 H24 N2 O3 -","- C28 H24 N2 O3 -","- C56 H48 N4 O6 -","2","1","","Lu, Yu-Ling; Sun, Jing; Jiang, Yan-Hong; Yan, Chao Guo","Diastereoselective synthesis of spiro[indene-2,2'-pyrazolo[1,2-a]pyrazoles] and spiro[indoline-3,2'-pyrazolo[1,2-a]pyrazoles] via 1,3-dipolar cycloaddition","RSC Adv.","2016","","","","","10.1039/C6RA02358D","","","0.71073","MoKα","","0.098","0.06","","","0.157","0.1803","","","","","","1.075","","","","has coordinates","183072","2020-10-21","18:00:00",""
"7225325","8.7245","0.0012","10.1071","0.0015","15.532","0.002","88.142","0.004","85.263","0.004","75.777","0.004","1323","0.3","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H28 Cl N3 O4 -","- C30 H28 Cl N3 O4 -","- C60 H56 Cl2 N6 O8 -","2","1","","Lu, Yu-Ling; Sun, Jing; Jiang, Yan-Hong; Yan, Chao Guo","Diastereoselective synthesis of spiro[indene-2,2'-pyrazolo[1,2-a]pyrazoles] and spiro[indoline-3,2'-pyrazolo[1,2-a]pyrazoles] via 1,3-dipolar cycloaddition","RSC Adv.","2016","","","","","10.1039/C6RA02358D","","","0.71073","MoKα","","0.0657","0.046","","","0.1139","0.1239","","","","","","1.016","","","","has coordinates","183072","2020-10-21","18:00:00",""
"7225326","14.07","0.004","8.4364","0.0019","20.473","0.004","90","","110.99","0.015","90","","2268.9","1","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C27 H21 Cl N2 O4 -","- C27 H21 Cl N2 O4 -","- C108 H84 Cl4 N8 O16 -","4","1","","Lu, Yu-Ling; Sun, Jing; Jiang, Yan-Hong; Yan, Chao Guo","Diastereoselective synthesis of spiro[indene-2,2'-pyrazolo[1,2-a]pyrazoles] and spiro[indoline-3,2'-pyrazolo[1,2-a]pyrazoles] via 1,3-dipolar cycloaddition","RSC Adv.","2016","","","","","10.1039/C6RA02358D","","","0.71073","MoKα","","0.1449","0.0563","","","0.1078","0.1326","","","","","","1.012","","","","has coordinates","183072","2020-10-21","18:00:00",""
"7225327","9.345","0.003","11.391","0.004","12.452","0.004","115.544","0.01","102.578","0.01","97.067","0.011","1131.3","0.7","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H18 Br2 N2 O3 -","- C26 H18 Br2 N2 O3 -","- C52 H36 Br4 N4 O6 -","2","1","","Lu, Yu-Ling; Sun, Jing; Jiang, Yan-Hong; Yan, Chao Guo","Diastereoselective synthesis of spiro[indene-2,2'-pyrazolo[1,2-a]pyrazoles] and spiro[indoline-3,2'-pyrazolo[1,2-a]pyrazoles] via 1,3-dipolar cycloaddition","RSC Adv.","2016","","","","","10.1039/C6RA02358D","","","0.71073","MoKα","","0.113","0.0737","","","0.2127","0.2407","","","","","","1.077","","","","has coordinates","183072","2020-10-21","18:00:00",""
"7225328","9.773","0.002","11.353","0.003","26.233","0.006","90","","100.26","0.008","90","","2864.1","1.2","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C35 H31 N3 O3 -","- C35 H31 N3 O3 -","- C140 H124 N12 O12 -","4","1","","Lu, Yu-Ling; Sun, Jing; Jiang, Yan-Hong; Yan, Chao Guo","Diastereoselective synthesis of spiro[indene-2,2'-pyrazolo[1,2-a]pyrazoles] and spiro[indoline-3,2'-pyrazolo[1,2-a]pyrazoles] via 1,3-dipolar cycloaddition","RSC Adv.","2016","","","","","10.1039/C6RA02358D","","","0.71073","MoKα","","0.3245","0.1198","","","0.304","0.3689","","","","","","1.066","","","","has coordinates","183072","2020-10-21","18:00:00",""
"7225329","8.4099","0.001","9.1196","0.0012","19.621","0.002","101.049","0.004","95.152","0.004","104.173","0.004","1417.1","0.3","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C34 H27 Cl2 N3 O3 -","- C34 H27 Cl2 N3 O3 -","- C68 H54 Cl4 N6 O6 -","2","1","","Lu, Yu-Ling; Sun, Jing; Jiang, Yan-Hong; Yan, Chao Guo","Diastereoselective synthesis of spiro[indene-2,2'-pyrazolo[1,2-a]pyrazoles] and spiro[indoline-3,2'-pyrazolo[1,2-a]pyrazoles] via 1,3-dipolar cycloaddition","RSC Adv.","2016","","","","","10.1039/C6RA02358D","","","0.71073","MoKα","","0.0883","0.0489","","","0.1026","0.1163","","","","","","1.018","","","","has coordinates","183072","2020-10-21","18:00:00",""
"7225330","11.8182","0.0014","12.3712","0.0013","18.764","0.002","90","","90","","90","","2743.4","0.5","298","2","298","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C27 H33 N7 O6 -","- C27 H33 N7 O6 -","- C108 H132 N28 O24 -","4","1","","Manna, Utsab; Nayak, Biswajit; Hoque, Md. Najbul; Das, Gopal","Influence of the cavity dimension on encapsulation of halides within the capsular assembly and side-cleft recognition of a sulfate‒water cluster assisted by polyammonium tripodal receptors","CrystEngComm","2016","18","26","5036","","10.1039/C6CE00220J","","","0.71073","MoKα","","0.2251","0.1122","","","0.2715","0.3493","","","","","","1.194","","","","has coordinates","185192","2020-10-21","18:00:00",""
"7225331","14.3519","0.0009","21.1721","0.0013","21.6903","0.0012","90","","90","","90","","6590.8","0.7","298","2","298","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C27 H36 Cl3 N7 O6 -","- C27 H36 Cl3 N7 O6 -","- C216 H288 Cl24 N56 O48 -","8","2","","Manna, Utsab; Nayak, Biswajit; Hoque, Md. Najbul; Das, Gopal","Influence of the cavity dimension on encapsulation of halides within the capsular assembly and side-cleft recognition of a sulfate‒water cluster assisted by polyammonium tripodal receptors","CrystEngComm","2016","18","26","5036","","10.1039/C6CE00220J","","","0.71073","MoKα","","0.067","0.0505","","","0.1341","0.1481","","","","","","0.994","","","","has coordinates,has disorder","185192","2020-10-21","18:00:00",""
"7225332","15.3493","0.0011","15.4384","0.0013","21.013","0.0016","84.839","0.006","75.566","0.005","61.549","0.005","4237.4","0.6","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C63 H103 N17 O35 S3 -","- C60 H80 N16 O34 S3 -","- C120 H160 N32 O68 S6 -","2","1","","Manna, Utsab; Nayak, Biswajit; Hoque, Md. Najbul; Das, Gopal","Influence of the cavity dimension on encapsulation of halides within the capsular assembly and side-cleft recognition of a sulfate‒water cluster assisted by polyammonium tripodal receptors","CrystEngComm","2016","18","26","5036","","10.1039/C6CE00220J","","","0.71073","MoKα","","0.1012","0.0749","","","0.2137","0.2383","","","","","","0.895","","","","has coordinates,has disorder","185192","2020-10-21","18:00:00",""
"7225333","15.1064","0.0003","15.1064","0.0003","12.4344","0.0005","90","","90","","120","","2457.41","0.12","298","2","298","2","","","","","","","","5","R 3","R 3","146","","","","- C27 H36 Br3 F7 N4 -","- C27 H36 Br3 F7 N4 -","- C81 H108 Br9 F21 N12 -","3","","","Manna, Utsab; Nayak, Biswajit; Hoque, Md. Najbul; Das, Gopal","Influence of the cavity dimension on encapsulation of halides within the capsular assembly and side-cleft recognition of a sulfate‒water cluster assisted by polyammonium tripodal receptors","CrystEngComm","2016","18","26","5036","","10.1039/C6CE00220J","","","0.71073","MoKα","","0.0937","0.0514","","","0.1164","0.1319","","","","","","0.891","","","","has coordinates","185192","2020-10-21","18:00:00",""
"7225334","15.3545","0.0017","15.5993","0.0018","21.362","0.002","83.354","0.006","72.763","0.006","62.704","0.006","4341.4","0.9","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C66 H116 Br6 N12 O24 S3 -","- C57 H79 Br6 N9 O21 S3 -","- C114 H158 Br12 N18 O42 S6 -","2","1","","Manna, Utsab; Nayak, Biswajit; Hoque, Md. Najbul; Das, Gopal","Influence of the cavity dimension on encapsulation of halides within the capsular assembly and side-cleft recognition of a sulfate‒water cluster assisted by polyammonium tripodal receptors","CrystEngComm","2016","18","26","5036","","10.1039/C6CE00220J","","","0.71073","MoKα","","0.2168","0.0843","","","0.2171","0.254","","","","","","0.837","","","","has coordinates,has disorder","185192","2020-10-21","18:00:00",""
"7225335","7.86","0.0006","11.1738","0.001","19.087","0.0017","77.214","0.006","85.475","0.005","75.105","0.006","1579.4","0.2","298","2","298","2","","","","","","","","5","P 1","P 1","1","","","","- C27 H36 Cl3 N7 O6 -","- C27 H36 Cl3 N7 O6 -","- C54 H72 Cl6 N14 O12 -","2","2","","Manna, Utsab; Nayak, Biswajit; Hoque, Md. Najbul; Das, Gopal","Influence of the cavity dimension on encapsulation of halides within the capsular assembly and side-cleft recognition of a sulfate‒water cluster assisted by polyammonium tripodal receptors","CrystEngComm","2016","18","26","5036","","10.1039/C6CE00220J","","","0.71073","MoKα","","0.1279","0.0825","","","0.1866","0.2112","","","","","","0.989","","","","has coordinates","185192","2020-10-21","18:00:00",""
"7225336","20.1102","0.0008","26.5248","0.0007","21.3634","0.0005","90","","93.228","0.003","90","","11377.6","0.6","150.01","0.1","150.01","0.1","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C86 H82 B10 N2 -","- C86 H82 B10 N2 -","- C344 H328 B40 N8 -","4","0.5","","Wang, Zhaojin; Jiang, Peng; Wang, Tianyu; Moxey, Graeme J.; Cifuentes, Marie P.; Zhang, Chi; Humphrey, Mark G.","Blue-shifted emission and enhanced quantum efficiency viaπ-bridge elongation in carbazole-carborane dyads.","Physical chemistry chemical physics : PCCP","2016","18","23","15719","15726","10.1039/c6cp02870e","","x-ray","1.54184","CuKα","","0.09","0.0634","","","0.1817","0.2023","","","","","","1.044","","","","has coordinates","183795","2020-10-21","18:00:00",""
"7225337","9.587","0.002","14.232","0.003","12.454","0.003","90","","104.76","0.005","90","","1643.2","0.6","296","2","296.15","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C20 H28 Cd3 Cl2 N8 O12 -","- C20 H28 Cd3 Cl2 N8 O12 -","- C40 H56 Cd6 Cl4 N16 O24 -","2","0.5","","Liu, Qi; Liu, Jing; Cheng, Mei-Ling; Yu, Lili; Chen, Sheng-Chun; Shao, Yongliang; Zhai, Changwei; Yin, Fengxiang","Three Metal Complexes Derived from 3-Methyl-1H-Pyrazole-4-Carboxylic Acid: Synthesis, Crystal Structures, Luminescence and Electrocatalytic Properties","RSC Adv.","2016","","","","","10.1039/C6RA10989F","","","0.71073","MoKα","","0.0832","0.0548","","","0.1279","0.1377","","","","","","1.045","","","","has coordinates","183080","2020-10-21","18:00:00",""
"7225338","7.2694","0.001","7.2818","0.0011","8.2989","0.0012","111.267","0.003","109.883","0.003","91.968","0.003","378.69","0.1","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C10 H18 Cd N4 O8 -","- C10 H18 Cd N4 O8 -","- C10 H18 Cd N4 O8 -","1","0.5","","Liu, Qi; Liu, Jing; Cheng, Mei-Ling; Yu, Lili; Chen, Sheng-Chun; Shao, Yongliang; Zhai, Changwei; Yin, Fengxiang","Three Metal Complexes Derived from 3-Methyl-1H-Pyrazole-4-Carboxylic Acid: Synthesis, Crystal Structures, Luminescence and Electrocatalytic Properties","RSC Adv.","2016","","","","","10.1039/C6RA10989F","","","0.71","MoKα","","0.0371","0.0366","","","0.0977","0.0982","","","","","","1.061","","","","has coordinates","183080","2020-10-21","18:00:00",""
"7225339","8.231","0.004","16.953","0.008","9.447","0.004","90","","99.817","0.009","90","","1298.9","1","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C16 H30 Cl2 Co N6 O8 -","- C16 H30 Cl2 Co N6 O8 -","- C32 H60 Cl4 Co2 N12 O16 -","2","0.5","","Liu, Qi; Liu, Jing; Cheng, Mei-Ling; Yu, Lili; Chen, Sheng-Chun; Shao, Yongliang; Zhai, Changwei; Yin, Fengxiang","Three Metal Complexes Derived from 3-Methyl-1H-Pyrazole-4-Carboxylic Acid: Synthesis, Crystal Structures, Luminescence and Electrocatalytic Properties","RSC Adv.","2016","","","","","10.1039/C6RA10989F","","","0.71073","MoKα","","0.1019","0.0681","","","0.1815","0.2273","","","","","","1.061","","","","has coordinates","183080","2020-10-21","18:00:00",""
"7225340","8.02","0.003","14.33","0.006","16.578","0.007","112.088","0.007","101.887","0.007","90.329","0.008","1720.3","1.2","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C34 H34 B Cl2 F2 N3 O6 -","- C34 H28 B Cl2 F2 N3 O6 -","- C68 H56 B2 Cl4 F4 N6 O12 -","2","1","","Zhang, Jian; Zhou, Junliang; Dong, Xiaochun; Zheng, Xing; Zhao, Weili","A near-infrared BODIPY-based fluorescent probe for the detection of hydrogen sulfide in fetal bovine serum and living cells","RSC Adv.","2016","","","","","10.1039/C6RA06952E","","","0.71073","MoKα","","0.0986","0.0776","","","0.2087","0.2285","","","","","","1.169","","","","has coordinates","183081","2020-10-21","18:00:00",""
"7225341","9.114","0.0016","13.231","0.002","22.242","0.004","90","","90","","90","","2682.1","0.8","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C31 H26 N2 O5 -","- C31 H26 N2 O5 -","- C124 H104 N8 O20 -","4","1","","Kumari, Prathibha; Nandi, Sekhar; Kumar, Gaurav; Khan, Noor-ul Hasan; Kureshy, Rukhsana Ilyas; Abdi, Sayed H. R.; Eringathodi, Suresh; Bajaj, Hari Chand","Construction of Highly Enantioselective Spiro-oxindole Derivatives with Fused Chromene via Organocascade Catalysis","RSC Adv.","2016","","","","","10.1039/C6RA06812J","","","0.71073","MoKα","","0.0987","0.0803","","","0.136","0.1418","","","","","","1.22","","","","has coordinates","183082","2020-10-21","18:00:00",""
"7225342","10.1947","0.0006","8.73","0.0005","34.4274","0.0016","90","","90","","90","","3064","0.3","293","2","293","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C19 H15 O P -","- C19 H15 O P -","- C152 H120 O8 P8 -","8","1","","Xue, Pengchong; Wang, Panpan; Chen, Peng; Ding, Jipeng; Lu, Ran","Enhanced room-temperature phosphorescence of triphenylphosphine derivatives without metal and heavy atoms in their crystal phase","RSC Adv.","2016","6","57","51683","","10.1039/C6RA07477D","","","0.71073","MoKα","","0.0821","0.0548","","","0.1148","0.1291","","","","","","1.065","","","","has coordinates","183095","2020-10-21","18:00:00",""
"7225343","8.5525","0.0014","10.3525","0.0017","10.5874","0.0017","114.517","0.016","99.585","0.014","90.156","0.013","838.3","0.3","293","2","293","","","","","","","","","4","P -1","-P 1","2","","","","- C20 H17 O P -","- C20 H17 O P -","- C40 H34 O2 P2 -","2","1","","Xue, Pengchong; Wang, Panpan; Chen, Peng; Ding, Jipeng; Lu, Ran","Enhanced room-temperature phosphorescence of triphenylphosphine derivatives without metal and heavy atoms in their crystal phase","RSC Adv.","2016","6","57","51683","","10.1039/C6RA07477D","","","0.71073","MoKα","","0.072","0.0516","","","0.1302","0.146","","","","","","1.03","","","","has coordinates","183095","2020-10-21","18:00:00",""
"7225344","18.8352","0.0011","19.9178","0.0007","21.3951","0.0006","90","","90","","90","","8026.5","0.6","293","2","293","2","","","","","","","synthesis as described","8","P b c a","-P 2ac 2ab","61","cis-[RuCl(CH3OH)(dppb)(bipy)](PF6)","CBMet","","- C40 H44 Cl F6 N2 O2 P3 Ru -","- C40 H44 Cl F6 N2 O2 P3 Ru -","- C320 H352 Cl8 F48 N16 O16 P24 Ru8 -","8","1","","Souza, Lanarck C.; Santos, Thiago A.; do Prado, Cássio R.A.; Lima, Benedito A. V.; Correa, Rodrigo S.; Batista, Alzir A.; Otubo, Larissa; Ellena, Javier A.; Ueno, Leonardo Tsuyoshi; Dinelli, Luís Rogério; Bogado, André Luiz","Influence of gold nanoparticles applied to catalytic hydrogenation of acetophenone with cationic complexes containing ruthenium","RSC Adv.","2016","","","","","10.1039/C6RA05616D","","x-ray","0.71073","MoKα","","0.0815","0.0516","","","0.1303","0.1464","","","","","","1.022","","","","has coordinates,has disorder","183096","2020-10-21","18:00:00",""
"7225345","10.1088","0.0003","28.6127","0.0009","11.8642","0.0002","90","","110.62","0.002","90","","3211.76","0.15","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","cis-[RuCl2(dppe)(bipy)]","","- C36 H32 Cl2 N2 P2 Ru -","- C36 H32 Cl2 N2 P2 Ru -","- C144 H128 Cl8 N8 P8 Ru4 -","4","1","","Souza, Lanarck C.; Santos, Thiago A.; do Prado, Cássio R.A.; Lima, Benedito A. V.; Correa, Rodrigo S.; Batista, Alzir A.; Otubo, Larissa; Ellena, Javier A.; Ueno, Leonardo Tsuyoshi; Dinelli, Luís Rogério; Bogado, André Luiz","Influence of gold nanoparticles applied to catalytic hydrogenation of acetophenone with cationic complexes containing ruthenium","RSC Adv.","2016","","","","","10.1039/C6RA05616D","","x-ray","0.71073","MoKα","","0.0711","0.041","","","0.0905","0.1011","","","","","","1.026","","","","has coordinates","183096","2020-10-21","18:00:00",""
"7225346","10.826","0.001","30.221","0.002","21.141","0.002","90","","94.401","0.004","90","","6896.4","1","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","cis-[RuCl2(dppp)(bipy)]","","- C37 H34 Cl2 N2 P2 Ru -","- C37 H34 Cl2 N2 P2 Ru -","- C296 H272 Cl16 N16 P16 Ru8 -","8","2","","Souza, Lanarck C.; Santos, Thiago A.; do Prado, Cássio R.A.; Lima, Benedito A. V.; Correa, Rodrigo S.; Batista, Alzir A.; Otubo, Larissa; Ellena, Javier A.; Ueno, Leonardo Tsuyoshi; Dinelli, Luís Rogério; Bogado, André Luiz","Influence of gold nanoparticles applied to catalytic hydrogenation of acetophenone with cationic complexes containing ruthenium","RSC Adv.","2016","","","","","10.1039/C6RA05616D","","x-ray","0.71073","MoKα","","0.2611","0.0896","","","0.1498","0.194","","","","","","1.009","","","","has coordinates","193656","2020-10-21","18:00:00",""
"7225347","42.3668","0.0002","42.3668","0.0002","42.3668","0.0002","90","","90","","90","","76046.1","0.6","100","0.11","100","0.11","","","","","","","","6","I a -3 d","-I 4bd 2c 3","230","","","","- C46 H44 N4 Ni O8 S2 -","- C46 H44 N4 Ni O8 S2 -","- C2208 H2112 N192 Ni48 O384 S96 -","48","0.5","","Chen, Shufang; Hu, Jiyong; Zhao, Jin'an; Zhang, Jin; Yu, Huaibin; Zhi, Shuangcheng; Zhang, Junshuai; Gong, Zhanqiang","Two cyclohexane-type octadecanuclear metalla-macrocycle-based metal organic frameworks and adsorption properties","CrystEngComm","2016","18","28","5353","","10.1039/C6CE00494F","","","1.54184","CuKα","","0.1033","0.0869","","","0.2801","0.3084","","","","","","1.051","","","","has coordinates","185269","2020-10-21","18:00:00",""
"7225348","42.559","0.0002","42.559","0.0002","42.559","0.0002","90","","90","","90","","77085.8","0.6","100","0.1","100","0.1","","","","","","","","6","I a -3 d","-I 4bd 2c 3","230","","","","- C46 H44 N4 O9 S2 Zn -","- C46 H44 N4 O9 S2 Zn -","- C2208 H2112 N192 O432 S96 Zn48 -","48","0.5","","Chen, Shufang; Hu, Jiyong; Zhao, Jin'an; Zhang, Jin; Yu, Huaibin; Zhi, Shuangcheng; Zhang, Junshuai; Gong, Zhanqiang","Two cyclohexane-type octadecanuclear metalla-macrocycle-based metal organic frameworks and adsorption properties","CrystEngComm","2016","18","28","5353","","10.1039/C6CE00494F","","","1.5418","CuKα","","0.1027","0.0716","","","0.2056","0.2479","","","","","","1.039","","","","has coordinates,has disorder","185269","2020-10-21","18:00:00",""
"7225349","12.084","0.006","9.035","0.0012","17.401","0.006","90","","100.28","0.03","90","","1869.3","1.2","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C21 H19 Cl2 N3 -","- C21 H19 Cl2 N3 -","- C84 H76 Cl8 N12 -","4","1","","Mohammad, Akbar; MISHRA, VEENU; Chandra, Prakash; Shaikh, Mobin M.","Reduction of selective polyaromatic nitrotriptycene via azoxytriptycene intermediate under ambient conditions using cobalt/cobalt oxide nanocomposite (CoNC)","RSC Adv.","2016","","","","","10.1039/C6RA12920J","","","1.54184","CuKα","","0.085","0.0812","","","0.2345","0.24","","","","","","1.076","","","","has coordinates","183144","2020-10-21","18:00:00",""
"7225350","10.6315","0.0007","11.839","0.0009","12.1481","0.0008","87.279","0.006","68.228","0.006","86.725","0.006","1417.08","0.18","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C40 H26 N2 O -","- C40 H26 N2 O -","- C80 H52 N4 O2 -","2","1","","Mohammad, Akbar; MISHRA, VEENU; Chandra, Prakash; Shaikh, Mobin M.","Reduction of selective polyaromatic nitrotriptycene via azoxytriptycene intermediate under ambient conditions using cobalt/cobalt oxide nanocomposite (CoNC)","RSC Adv.","2016","","","","","10.1039/C6RA12920J","","","1.5418","CuKα","","0.0699","0.0527","","","0.1382","0.1545","","","","","","1.027","","","","has coordinates,has disorder","183144","2020-10-21","18:00:00",""
"7225351","6.9141","0.0002","9.3897","0.0003","14.4781","0.0005","101.468","0.003","96.993","0.003","98.349","0.003","900.35","0.05","150","0.2","150","0.2","","","","","","","","4","P -1","-P 1","2","","Diammonium (2R,6S)-tetrahydro-2H-pyran-2,6-dicarboxylate.(2R,6S)-tetrahydro-2H-pyran-2,6-dicarboxylic acid","","- C7 H13 N O5 -","- C7 H13 N O5 -","- C28 H52 N4 O20 -","4","2","","Golding, Bernard Thomas; Pickles, James; Zaytsev, Andrey; Harnor, Suzannah; Henderson, Alistair; Alyasiri, Mohammed; Waddell, Paul G.; Cano, Celine; Griffin, Roger","Concise Syntheses of Bridged Morpholines","RSC Adv.","2016","","","","","10.1039/C6RA08737J","","","1.54184","CuKα","","0.0345","0.0312","","","0.0817","0.0843","","","","","","1.038","","","","has coordinates,has disorder","183145","2020-10-21","18:00:00",""
"7225352","10.7559","0.0002","5.60116","0.0001","8.3291","0.0001","90","","99.8276","0.001","90","","494.428","0.014","296","","296","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C14 H10 N2 -","- C14 H10 N2 -","- C28 H20 N4 -","2","0.5","","Fujisue, Chika; Kadoya, Tomofumi; Higashino, Toshiki; Sato, Ryonosuke; Kawamoto, Tadashi; Mori, Takehiko","Air-stable ambipolar organic transistors based on charge-transfer complexes containing dibenzopyrrolopyrrole","RSC Adv.","2016","","","","","10.1039/C6RA10606D","","","1.54187","CuKα","","","0.0347","","","","0.0958","","","","","","1.065","","","","has coordinates","183146","2020-10-21","18:00:00",""
"7225353","6.899","0.006","8.655","0.006","9.67","0.005","70.09","0.05","69.22","0.05","69.33","0.07","489.6","0.7","298","","298","","","","","","","","","3","P -1","-P 1","2","","","","- C24 H18 N6 -","- C24 H18 N6 -","- C24 H18 N6 -","1","0.5","","Fujisue, Chika; Kadoya, Tomofumi; Higashino, Toshiki; Sato, Ryonosuke; Kawamoto, Tadashi; Mori, Takehiko","Air-stable ambipolar organic transistors based on charge-transfer complexes containing dibenzopyrrolopyrrole","RSC Adv.","2016","","","","","10.1039/C6RA10606D","","","0.71069","MoKα","","","0.075","","","","0.2523","","","","","","0.944","","","","has coordinates","183146","2020-10-21","18:00:00",""
"7225354","7.0445","0.0003","8.9964","0.0004","9.7681","0.0004","74.396","0.002","71.111","0.003","65.2771","0.0017","525.56","0.04","273","","273","","","","","","","","","3","P -1","-P 1","2","","","","- C28 H18 N6 -","- C28 H18 N6 -","- C28 H18 N6 -","1","0.5","","Fujisue, Chika; Kadoya, Tomofumi; Higashino, Toshiki; Sato, Ryonosuke; Kawamoto, Tadashi; Mori, Takehiko","Air-stable ambipolar organic transistors based on charge-transfer complexes containing dibenzopyrrolopyrrole","RSC Adv.","2016","","","","","10.1039/C6RA10606D","","","1.54187","CuKα","","","0.0965","","","","0.2731","","","","","","1.005","","","","has coordinates","183146","2020-10-21","18:00:00",""
"7225355","3.9254","0.0012","6.0049","0.0018","13.818","0.004","77.96","0.004","88.838","0.004","72.527","0.004","303.54","0.16","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C12 H10 O4 S2 -","- C12 H10 O4 S2 -","- C12 H10 O4 S2 -","1","0.5","","Muthumari, Subramanian; Ramesh, Rengan","Highly efficient palladium(ii) hydrazone based catalysts for the Suzuki coupling reaction in aqueous medium","RSC Adv.","2016","6","57","52101","","10.1039/C6RA06734D","","","0.71073","MoKα","","0.0507","0.0486","","","0.125","0.1273","","","","","","1.083","","","","has coordinates","183147","2020-10-21","18:00:00",""
"7225356","9.4677","0.0005","31.1867","0.0015","10.2754","0.0005","90","","107.706","0.002","90","","2890.3","0.3","293","2","293","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C31 H26 Cl N2 O P Pd S -","- C31 H26 Cl N2 O P Pd S -","- C124 H104 Cl4 N8 O4 P4 Pd4 S4 -","4","1","","Muthumari, Subramanian; Ramesh, Rengan","Highly efficient palladium(ii) hydrazone based catalysts for the Suzuki coupling reaction in aqueous medium","RSC Adv.","2016","6","57","52101","","10.1039/C6RA06734D","","","0.71073","MoKα","","0.0395","0.0339","","","0.0763","0.0774","","","","","","1.313","","","","has coordinates","183147","2020-10-21","18:00:00",""
"7225357","9.605","0.002","18.386","0.005","19.197","0.005","112.769","0.012","101.774","0.012","97.141","0.013","2981.6","1.3","296","2","296","2","","","","","","","","8","P -1","-P 1","2","","","","- C32 H28 Cl N2 O2 P Pd S -","- C32 H28 Cl N2 O2 P Pd S -","- C128 H112 Cl4 N8 O8 P4 Pd4 S4 -","4","2","","Muthumari, Subramanian; Ramesh, Rengan","Highly efficient palladium(ii) hydrazone based catalysts for the Suzuki coupling reaction in aqueous medium","RSC Adv.","2016","6","57","52101","","10.1039/C6RA06734D","","","0.71073","MoKα","","0.0693","0.038","","","0.1168","0.1686","","","","","","0.846","","","","has coordinates","183147","2020-10-21","18:00:00",""
"7225358","7.768","0.0016","9.1578","0.0018","10.466","0.002","90.77","0.03","98.75","0.03","95.52","0.03","732.2","0.3","120","0.2","120","0.2","","","","","","","","7","P -1","-P 1","2","","","","- C13 H13 Cl2 Cu N3 O S -","- C13 H13 Cl2 Cu N3 O S -","- C26 H26 Cl4 Cu2 N6 O2 S2 -","2","1","","Qureshi, Naseem; Yufit, Dmitri S.; Steed, Kirsty M.; Howard, Judith A. K.; Steed, Jonathan W.","Anion hydrogen bonding from a ‘revealed’ urea ligand","CrystEngComm","2016","18","28","5333","","10.1039/C6CE01039C","","","0.71073","MoKα","","0.1007","0.0864","","","0.2365","0.2519","","","","","","1.036","","","","has coordinates","185268","2020-10-21","18:00:00",""
"7225359","12.6428","0.0003","9.0531","0.0002","15.2733","0.0004","90","","99.138","0.01","90","","1725.94","0.09","120","2","120","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C28 H26 Cu F6 N6 O8 S4 -","- C28 H26 Cu F6 N6 O8 S4 -","- C56 H52 Cu2 F12 N12 O16 S8 -","2","0.5","","Qureshi, Naseem; Yufit, Dmitri S.; Steed, Kirsty M.; Howard, Judith A. K.; Steed, Jonathan W.","Anion hydrogen bonding from a ‘revealed’ urea ligand","CrystEngComm","2016","18","28","5333","","10.1039/C6CE01039C","","","0.71073","Mo-Kα","","0.0594","0.0391","","","0.0981","0.1084","","","","","","1.02","","","","has coordinates","185268","2020-10-21","18:00:00",""
"7225360","6.6282","0.0003","10.3741","0.0005","11.1178","0.0005","96.7","0.01","92.305","0.01","99.927","0.01","746.47","0.07","120","2","120","2","","","","","","","","7","P -1","-P 1","2","","","","- C13 H14 B F4 N3 O S -","- C13 H14 B F4 N3 O S -","- C26 H28 B2 F8 N6 O2 S2 -","2","1","","Qureshi, Naseem; Yufit, Dmitri S.; Steed, Kirsty M.; Howard, Judith A. K.; Steed, Jonathan W.","Anion hydrogen bonding from a ‘revealed’ urea ligand","CrystEngComm","2016","18","28","5333","","10.1039/C6CE01039C","","","0.71073","MOKα","","0.0854","0.0479","","","0.1152","0.1324","","","","","","1.099","","","","has coordinates","185268","2020-10-21","18:00:00",""
"7225361","8.2365","0.0003","9.636","0.0003","11.5943","0.0004","110.59","0.02","97","0.02","103.85","0.02","814.6","0.19","120","2","120","2","","","","","","","","7","P -1","-P 1","2","","","","- C28 H26 Cu F6 N6 O8 S4 -","- C28 H26 Cu F6 N6 O8 S4 -","- C28 H26 Cu F6 N6 O8 S4 -","1","0.5","","Qureshi, Naseem; Yufit, Dmitri S.; Steed, Kirsty M.; Howard, Judith A. K.; Steed, Jonathan W.","Anion hydrogen bonding from a ‘revealed’ urea ligand","CrystEngComm","2016","18","28","5333","","10.1039/C6CE01039C","","","0.71073","Mo-Kα","","0.0804","0.0641","","","0.1579","0.1662","","","","","","0.874","","","","has coordinates","185268","2020-10-21","18:00:00",""
"7225362","8.9556","0.0003","21.6859","0.0009","7.1433","0.0004","90","","98.9","0.01","90","","1370.6","0.11","120","2","120","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C26 H26 Cu N8 O8 S2 -","- C26 H26 Cu N8 O8 S2 -","- C52 H52 Cu2 N16 O16 S4 -","2","0.5","","Qureshi, Naseem; Yufit, Dmitri S.; Steed, Kirsty M.; Howard, Judith A. K.; Steed, Jonathan W.","Anion hydrogen bonding from a ‘revealed’ urea ligand","CrystEngComm","2016","18","28","5333","","10.1039/C6CE01039C","","","0.71073","MOKα","","0.0691","0.0405","","","0.0938","0.1069","","","","","","1.063","","","","has coordinates,has disorder","185268","2020-10-21","18:00:00",""
"7225363","7.8394","0.0016","8.192","0.0016","12.372","0.003","104.4","0.03","92.42","0.03","116.28","0.03","679.3","0.4","120","0.2","120","0.2","","","","","","","","7","P -1","-P 1","2","","","","- C26 H26 Br2 Cu N6 O2 S2 -","- C26 H26 Br2 Cu N6 O2 S2 -","- C26 H26 Br2 Cu N6 O2 S2 -","1","0.5","","Qureshi, Naseem; Yufit, Dmitri S.; Steed, Kirsty M.; Howard, Judith A. K.; Steed, Jonathan W.","Anion hydrogen bonding from a ‘revealed’ urea ligand","CrystEngComm","2016","18","28","5333","","10.1039/C6CE01039C","","","0.71073","MoKα","","0.0337","0.0268","","","0.0598","0.0627","","","","","","1.021","","","","has coordinates","185268","2020-10-21","18:00:00",""
"7225364","4.2277","0.0002","11.0881","0.0008","14.3608","0.0012","90","","95.224","0.005","90","","670.4","0.08","293","2","293","2","","","","","","","synthesis as described","4","P 1 21/c 1","-P 2ybc","14","","","","- C3 H I S3 -","- C3 H I S3 -","- C12 H4 I4 S12 -","4","1","","Le Gal, Yann; Lorcy, Dominique; Jeannin, Olivier; Barrière, Frédéric; Dorcet, Vincent; Lieffrig, Julien; Fourmigué, Marc","CS⋯I halogen bonding interactions in crystalline iodinated dithiole-2-thiones and thiazole-2-thiones","CrystEngComm","2016","18","29","5474","","10.1039/C6CE00822D","","x-ray","0.71073","MoKα","","0.1504","0.0814","","","0.235","0.3345","","","","","","1.401","","","","has coordinates","185263","2020-10-21","18:00:00",""
"7225365","4.2308","0.0008","28.57","0.006","15.756","0.003","90","","95.7","0.03","90","","1895.1","0.7","293","2","293","2","","","","","","","synthesis as described","3","P 1 21/n 1","-P 2yn","14","","","","- C7 I4.67 S7 -","- C6.9999 I4.6667 S6.9999 -","- C27.9996 I18.6668 S27.9996 -","4","1","","Le Gal, Yann; Lorcy, Dominique; Jeannin, Olivier; Barrière, Frédéric; Dorcet, Vincent; Lieffrig, Julien; Fourmigué, Marc","CS⋯I halogen bonding interactions in crystalline iodinated dithiole-2-thiones and thiazole-2-thiones","CrystEngComm","2016","18","29","5474","","10.1039/C6CE00822D","","x-ray","0.71073","MoKα","","0.0629","0.0354","","","0.0687","0.079","","","","","","1.102","","","","has coordinates","185263","2020-10-21","18:00:00",""
"7225366","7.9979","0.0003","8.1038","0.0003","14.8354","0.0005","90","","96.761","0.001","90","","954.85","0.06","150","2","150","2","","","","","","","synthesis as described","5","P 1 21/n 1","-P 2yn","14","","3-ethyl-4,5-diiodothiazole-2(3H)-thione","","- C5 H5 I2 N S2 -","- C5 H5 I2 N S2 -","- C20 H20 I8 N4 S8 -","4","1","","Le Gal, Yann; Lorcy, Dominique; Jeannin, Olivier; Barrière, Frédéric; Dorcet, Vincent; Lieffrig, Julien; Fourmigué, Marc","CS⋯I halogen bonding interactions in crystalline iodinated dithiole-2-thiones and thiazole-2-thiones","CrystEngComm","2016","18","29","5474","","10.1039/C6CE00822D","","x-ray","0.71073","MoKα","","0.0332","0.0309","","","0.0753","0.0767","","","","","","1.104","","","","has coordinates","185263","2020-10-21","18:00:00",""
"7225367","6.9028","0.0013","15.231","0.003","8.4906","0.0016","90","","108.101","0.006","90","","848.5","0.3","150","2","150","2","","","","","","","synthesis as described","5","P 1 21 1","P 2yb","4","","3-ethyl-5-iodothiazole-2-thione","","- C5 H6 I N S2 -","- C5 H6 I N S2 -","- C20 H24 I4 N4 S8 -","4","2","","Le Gal, Yann; Lorcy, Dominique; Jeannin, Olivier; Barrière, Frédéric; Dorcet, Vincent; Lieffrig, Julien; Fourmigué, Marc","CS⋯I halogen bonding interactions in crystalline iodinated dithiole-2-thiones and thiazole-2-thiones","CrystEngComm","2016","18","29","5474","","10.1039/C6CE00822D","","x-ray","0.71073","MoKα","","0.0316","0.0306","","","0.0715","0.072","","","","","","1.143","","","","has coordinates","185263","2020-10-21","18:00:00",""
"7225368","12.8328","0.0012","16.1439","0.0015","16.2738","0.0015","84.645","0.002","79.837","0.002","69.372","0.002","3104","0.5","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C62 H62 N3 Ni3 O22.5 -","- C56 H34 Ni3 O22.5 -","- C112 H68 Ni6 O45 -","2","1","","Hu, Tuo-Ping; Xue, Zhi-Jia; Zheng, Bao-Hua; Wang, Xiao-Qing; Hao, Xue-Na; Song, You","Two novel nickel(ii) and cobalt(ii) metal‒organic frameworks based on a rigid aromatic multicarboxylate ligand: syntheses, structural characterization and magnetic properties","CrystEngComm","2016","18","28","5386","","10.1039/C6CE00674D","","","0.71073","MoKα","","0.0806","0.0519","","","0.1228","0.1347","","","","","","0.997","","","","has coordinates,has disorder","185271","2020-10-21","18:00:00",""
"7225369","13.8441","0.0006","17.6855","0.0007","21.1859","0.0008","90","","91.435","0.004","90","","5185.5","0.4","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C56 H46 Co3 O25 -","- C56 H42 Co3 O25 -","- C224 H168 Co12 O100 -","4","0.5","","Hu, Tuo-Ping; Xue, Zhi-Jia; Zheng, Bao-Hua; Wang, Xiao-Qing; Hao, Xue-Na; Song, You","Two novel nickel(ii) and cobalt(ii) metal‒organic frameworks based on a rigid aromatic multicarboxylate ligand: syntheses, structural characterization and magnetic properties","CrystEngComm","2016","18","28","5386","","10.1039/C6CE00674D","","","0.71","MoKα","","0.1039","0.0566","","","0.105","0.1245","","","","","","1.017","","","","has coordinates,has disorder","185271","2020-10-21","18:00:00",""
"7225370","19.0949","0.0019","9.2904","0.0009","17.9875","0.0019","90","","110.543","0.005","90","","2988.1","0.5","123","2","123","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","N-Phenyl-p-phenylenediamine+diglycolic acid","","- C16 H18 N2 O5 -","- C16 H18 N2 O5 -","- C128 H144 N16 O40 -","8","2","","Delori, Amit; Urquhart, Andrew J.; Oswald, Iain D. H.","Supramolecular hair dyes: a new application of cocrystallization","CrystEngComm","2016","18","28","5360","","10.1039/C6CE01001F","","","0.71073","MoKα","","0.0984","0.0629","","","0.176","0.2424","","","","","","1.632","","","","has coordinates","194155","2020-10-21","18:00:00",""
"7225371","17.9195","0.0015","9.1323","0.0008","18.7653","0.0015","90","","90","","90","","3070.9","0.4","296","2","296","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","N-Phenyl-p-phenylenediamine+diglycolic acid","","- C16 H18 N2 O5 -","- C16 H18 N2 O5 -","- C128 H144 N16 O40 -","8","2","","Delori, Amit; Urquhart, Andrew J.; Oswald, Iain D. H.","Supramolecular hair dyes: a new application of cocrystallization","CrystEngComm","2016","18","28","5360","","10.1039/C6CE01001F","","","0.71073","MoKα","","0.0297","0.027","","","0.0635","0.0651","","","","","","1.052","","","","has coordinates","194155","2020-10-21","18:00:00",""
"7225372","14.204","0.003","8.573","0.002","8.3934","0.0019","90","","91.851","0.013","90","","1021.5","0.4","123","2","123","2","","","","","","","","4","C 1 2/m 1","-C 2y","12","","1,4-Diaminobenzene+lawsone","","- C26 H20 N2 O6 -","- C26 H20 N2 O6 -","- C52 H40 N4 O12 -","2","0.25","","Delori, Amit; Urquhart, Andrew J.; Oswald, Iain D. H.","Supramolecular hair dyes: a new application of cocrystallization","CrystEngComm","2016","18","28","5360","","10.1039/C6CE01001F","","","0.71073","MoKα","","0.1261","0.0982","","","0.2413","0.2574","","","","","","1.134","","","","has coordinates,has disorder","185273","2020-10-21","18:00:00",""
"7225373","9.1366","0.0007","6.2639","0.0006","20.6631","0.0016","90","","94.489","0.005","90","","1178.94","0.17","123","2","123","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","1,4-Diaminobenzene+sebacic acid","","- C22 H34 N4 O4 -","- C22 H34 N4 O4 -","- C44 H68 N8 O8 -","2","0.5","","Delori, Amit; Urquhart, Andrew J.; Oswald, Iain D. H.","Supramolecular hair dyes: a new application of cocrystallization","CrystEngComm","2016","18","28","5360","","10.1039/C6CE01001F","","","0.71073","MoKα","","0.0796","0.0722","","","0.1854","0.1891","","","","","","1.213","","","","has coordinates","185273","2020-10-21","18:00:00",""
"7225374","3.9902","0.0002","17.052","0.0009","23.5518","0.0012","90","","90","","90","","1602.49","0.14","123","2","123","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","1,4-Diaminobenzene+trimesic acid+methanol","","- C16 H18 N2 O7 -","- C16 H18 N2 O7 -","- C64 H72 N8 O28 -","4","1","","Delori, Amit; Urquhart, Andrew J.; Oswald, Iain D. H.","Supramolecular hair dyes: a new application of cocrystallization","CrystEngComm","2016","18","28","5360","","10.1039/C6CE01001F","","","0.71073","MoKα","","0.0334","0.0298","","","0.0716","0.0742","","","","","","1.059","","","","has coordinates","185273","2020-10-21","18:00:00",""
"7225375","7.3698","0.0003","21.6379","0.0012","14.5584","0.0007","90","","102.509","0.004","90","","2266.47","0.19","295","2","295","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C22 H14 Cl2 F3 N3 O3 Pt S -","- C22 H14 Cl2 F3 N3 O3 Pt S -","- C88 H56 Cl8 F12 N12 O12 Pt4 S4 -","4","1","","Maroń, A.; Szlapa, A.; Czerwińska, K.; Małecki, J. G.; Krompiec, S.; Machura, B.","Solid-state and solution photoluminescence of platinum(ii) complexes with 4′-substituted terpyridine ligands ‒ structural, spectroscopic and electrochemical studies","CrystEngComm","2016","18","29","5528","","10.1039/C6CE00890A","","x-ray","0.71073","MoKα","","0.0374","0.0272","","","0.0583","0.0614","","","","","","1.034","","","","has coordinates","185265","2020-10-21","18:00:00",""
"7225376","7.4264","0.0004","21.7744","0.0014","14.5258","0.0008","90","","102.97","0.005","90","","2289","0.2","295","2","295","2","","","","","","","","9","P 1 21/c 1","-P 2ybc","14","","","","- C22 H14 Br Cl F3 N3 O3 Pt S -","- C22 H14 Br Cl F3 N3 O3 Pt S -","- C88 H56 Br4 Cl4 F12 N12 O12 Pt4 S4 -","4","1","","Maroń, A.; Szlapa, A.; Czerwińska, K.; Małecki, J. G.; Krompiec, S.; Machura, B.","Solid-state and solution photoluminescence of platinum(ii) complexes with 4′-substituted terpyridine ligands ‒ structural, spectroscopic and electrochemical studies","CrystEngComm","2016","18","29","5528","","10.1039/C6CE00890A","","x-ray","0.71073","MoKα","","0.0713","0.0545","","","0.1342","0.1448","","","","","","1.039","","","","has coordinates","185265","2020-10-21","18:00:00",""
"7225377","16.2788","0.0013","7.0245","0.0007","21.716","0.002","90","","98.966","0.007","90","","2452.9","0.4","295","2","295","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C24 H15 Cl F3 N3 O3 Pt S2 -","- C24 H15 Cl F3 N3 O3 Pt S2 -","- C96 H60 Cl4 F12 N12 O12 Pt4 S8 -","4","1","","Maroń, A.; Szlapa, A.; Czerwińska, K.; Małecki, J. G.; Krompiec, S.; Machura, B.","Solid-state and solution photoluminescence of platinum(ii) complexes with 4′-substituted terpyridine ligands ‒ structural, spectroscopic and electrochemical studies","CrystEngComm","2016","18","29","5528","","10.1039/C6CE00890A","","x-ray","0.71073","MoKα","","0.0403","0.0288","","","0.0631","0.0673","","","","","","1.041","","","","has coordinates","185265","2020-10-21","18:00:00",""
"7225378","10.325","0.008","11.063","0.003","6.087","0.001","90","","90","","90","","695.3","0.6","295","2","295","2","360000","","360000","","","","","3","P n m a","-P 2ac 2n","62","","pentachloroethane","","- C2 H Cl5 -","- C2 H Cl5 -","- C8 H4 Cl20 -","4","0.5","","Bujak, Maciej; Podsiadło, Marcin; Katrusiak, Andrzej","Halogen and hydrogen bonds in compressed pentachloroethane","CrystEngComm","2016","18","28","5393","","10.1039/C6CE01025C","","","0.71073","MoKα","","0.126","0.1066","","","0.3214","0.3494","","","","","","1.175","","","","has coordinates","185274","2020-10-21","18:00:00",""
"7225379","10.21","0.007","11.039","0.003","6.0415","0.0009","90","","90","","90","","680.9","0.5","295","2","295","2","450000","","450000","","","","","3","P n m a","-P 2ac 2n","62","","pentachloroethane","","- C2 H Cl5 -","- C2 H Cl5 -","- C8 H4 Cl20 -","4","0.5","","Bujak, Maciej; Podsiadło, Marcin; Katrusiak, Andrzej","Halogen and hydrogen bonds in compressed pentachloroethane","CrystEngComm","2016","18","28","5393","","10.1039/C6CE01025C","","","0.71073","MoKα","","0.1147","0.0997","","","0.3005","0.3193","","","","","","1.095","","","","has coordinates","185274","2020-10-21","18:00:00",""
"7225380","9.5458","0.0006","11.3671","0.0006","6.4745","0.0004","90","","111.126","0.007","90","","655.32","0.07","85","0.5","85","0.5","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","pentachloroethane","","- C2 H Cl5 -","- C2 H Cl5 -","- C8 H4 Cl20 -","4","1","","Bujak, Maciej; Podsiadło, Marcin; Katrusiak, Andrzej","Halogen and hydrogen bonds in compressed pentachloroethane","CrystEngComm","2016","18","28","5393","","10.1039/C6CE01025C","","","0.71073","MoKα","","0.0295","0.0275","","","0.0729","0.0739","","","","","","1.032","","","","has coordinates","185274","2020-10-21","18:00:00",""
"7225381","9.742","0.0009","11.5821","0.0008","6.5192","0.0006","90","","111.347","0.01","90","","685.11","0.11","230","0.1","230","0.1","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","pentachloroethane","","- C2 H Cl5 -","- C2 H Cl5 -","- C8 H4 Cl20 -","4","1","","Bujak, Maciej; Podsiadło, Marcin; Katrusiak, Andrzej","Halogen and hydrogen bonds in compressed pentachloroethane","CrystEngComm","2016","18","28","5393","","10.1039/C6CE01025C","","","0.71073","MoKα","","0.0441","0.0393","","","0.1079","0.1114","","","","","","1.076","","","","has coordinates","185274","2020-10-21","18:00:00",""
"7225382","9.519","0.0017","11.3199","0.0004","6.393","0.003","90","","111.78","0.03","90","","639.7","0.3","295","2","295","2","760000","","760000","","","","","3","P 1 21/n 1","-P 2yn","14","","pentachloroethane","","- C2 H Cl5 -","- C2 H Cl5 -","- C8 H4 Cl20 -","4","1","","Bujak, Maciej; Podsiadło, Marcin; Katrusiak, Andrzej","Halogen and hydrogen bonds in compressed pentachloroethane","CrystEngComm","2016","18","28","5393","","10.1039/C6CE01025C","","","0.71073","MoKα","","0.0501","0.0409","","","0.1115","0.1152","","","","","","1.163","","","","has coordinates","185274","2020-10-21","18:00:00",""
"7225383","9.4194","0.0009","11.22","0.0003","6.379","0.004","90","","111.75","0.03","90","","626.2","0.4","295","2","295","2","1000000","","1000000","","","","","3","P 1 21/n 1","-P 2yn","14","","pentachloroethane","","- C2 H Cl5 -","- C2 H Cl5 -","- C8 H4 Cl20 -","4","1","","Bujak, Maciej; Podsiadło, Marcin; Katrusiak, Andrzej","Halogen and hydrogen bonds in compressed pentachloroethane","CrystEngComm","2016","18","28","5393","","10.1039/C6CE01025C","","","0.71073","MoKα","","0.0305","0.0282","","","0.0732","0.0745","","","","","","1.097","","","","has coordinates","185274","2020-10-21","18:00:00",""
"7225384","4.7832","0.0005","12.0775","0.0004","16.3371","0.0005","90","","92.226","0.003","90","","943.07","0.11","290","","290","","","","","","","","synthesis","4","P 1 21/c 1","-P 2ybc","14","4-aminoquinaldine monohydrate","2-Methyl-4-quinolinamine","","- C10 H12 N2 O -","- C10 H12 N2 O -","- C40 H48 N8 O4 -","4","1","","Braun, Doris E.; Oberacher, Herbert; Arnhard, Kathrin; Orlova, Maria; Griesser, Ulrich J.","4-Aminoquinaldine monohydrate polymorphism: prediction and impurity aided discovery of a difficult to access stable form","CrystEngComm","2016","18","22","4053","","10.1039/C5CE01758K","powder diffraction","","1.54056","CuKα","","","","","","","","","7.0966","3.71","","","","","","","has coordinates","183192","2020-10-21","18:00:00",""
"7225385","10.2536","0.0002","19.8774","0.0004","14.8763","0.0007","90","","90","","90","","3032.01","0.17","150","2","150","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C30 H34 Cu N4 O8 -","- C30 H34 Cu N4 O8 -","- C120 H136 Cu4 N16 O32 -","4","0.5","","Linder-Patton, Oliver M.; Bloch, Witold M.; Coghlan, Campbell J.; Sumida, Kenji; Kitagawa, Susumu; Furukawa, Shuhei; Doonan, Christian J.; Sumby, Christopher J.","Particle size effects in the kinetic trapping of a structurally-locked form of a flexible MOF","CrystEngComm","2016","18","22","4172","","10.1039/C6CE00082G","","","0.7107","MoKα","","0.0643","0.0454","","","0.1215","0.132","","","","","","1.051","","","","has coordinates","183193","2020-10-21","18:00:00",""
"7225386","9.4","0.0002","19.5102","0.0003","14.7022","0.0002","90","","90","","90","","2696.32","0.08","150","2","150","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C21 H16 Cu N4 O12 -","- C21 H16 Cu N4 O12 -","- C84 H64 Cu4 N16 O48 -","4","0.5","","Linder-Patton, Oliver M.; Bloch, Witold M.; Coghlan, Campbell J.; Sumida, Kenji; Kitagawa, Susumu; Furukawa, Shuhei; Doonan, Christian J.; Sumby, Christopher J.","Particle size effects in the kinetic trapping of a structurally-locked form of a flexible MOF","CrystEngComm","2016","18","22","4172","","10.1039/C6CE00082G","","","0.7107","MoKα","","0.0427","0.0354","","","0.0954","0.0996","","","","","","1.11","","","","has coordinates","183193","2020-10-21","18:00:00",""
"7225387","14.6652","0.0004","8.6882","0.0003","26.0272","0.0008","90","","90","","90","","3316.23","0.18","293","","293","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C24 H16 O -","- C24 H16 O -","- C192 H128 O8 -","8","1","","Koshima, Hideko; Uchimoto, Hidetaka; Taniguchi, Takuya; Nakamura, Jun; Asahi, Tsuyoshi; Asahi, Toru","Mechanical motion of molecular crystals induced by [4 + 4] photodimerisation","CrystEngComm","2016","18","38","7305","","10.1039/C6CE00848H","","","1.54187","CuKα","","0.1105","0.0723","","","0.1949","0.2471","","","","","","1.018","","","","has coordinates","187037","2020-10-21","18:00:00",""
"7225388","14.6606","0.0018","8.689","0.0012","25.95","0.004","90","","90","","90","","3305.7","0.8","293","","293","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C24 H16 O -","- C24 H16 O -","- C192 H128 O8 -","8","1","","Koshima, Hideko; Uchimoto, Hidetaka; Taniguchi, Takuya; Nakamura, Jun; Asahi, Tsuyoshi; Asahi, Toru","Mechanical motion of molecular crystals induced by [4 + 4] photodimerisation","CrystEngComm","2016","18","38","7305","","10.1039/C6CE00848H","","","1.54187","CuKα","","0.1301","0.0648","","","0.1692","0.217","","","","","","0.912","","","","has coordinates","187037","2020-10-21","18:00:00",""
"7225389","7.742","0.004","11.18","0.005","15.075","0.007","73.813","0.011","85.765","0.012","80.157","0.01","1234.2","1","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C31 H24 N2 O4 S -","- C31 H24 N2 O4 S -","- C62 H48 N4 O8 S2 -","2","1","","Goswami, Shyamaprosad; Manna, Abhishek; Sarkar, Debasish; Quah, Ching Kheng; Fun, Hoong Kun","Single Exited State Intramolecular Proton Transfer (ESIPT) containing Rhodol based chemodosimeter for both Hg2+ and OCl-: ratiometric detection with live-cell imaging","RSC Adv.","2016","","","","","10.1039/C6RA11009F","","","0.71073","MoKα","","0.1067","0.0559","","","0.1109","0.132","","","","","","1.028","","","","has coordinates","183208","2020-10-21","18:00:00",""
"7225390","7.2967","0.0005","18.015","0.0013","15.0313","0.0011","90","","97.477","0.002","90","","1959.1","0.2","100","2","100","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C23 H23 N O3 S -","- C23 H23 N O3 S -","- C92 H92 N4 O12 S4 -","4","1","","Kuila, Bilash; Kumar, Yogesh; mahajan, Dinesh; Kumar, Kapil; Singh, Prabhpreet; Bhargava, Gaurav","A Facile and Chemoselective Synthesis of 1,4-Benzodiazepin-2-ones and Dienyl Thiazolidin-4-ones","RSC Adv.","2016","","","","","10.1039/C6RA10021J","","","0.71073","MoKα","","0.0295","0.0277","","","0.0694","0.0704","","","","","","1.053","","","","has coordinates","183209","2020-10-21","18:00:00",""
"7225391","9.918","0.002","12.032","0.003","17.307","0.004","102.339","0.003","92.109","0.003","100.314","0.003","1978.9","0.8","110.15","","110.15","","","","","","","","","5","P -1","-P 1","2","","4,8-di([1,1'-biphenyl]-2-yl)-2,2,6,6-tetraphenyl-1,3,5,7,2,6,4,8-tetraoxadisiladiborocane","","- C48 H38 B2 O4 Si2 -","- C48 H38 B2 O4 Si2 -","- C96 H76 B4 O8 Si4 -","2","1","","Mohan, Gopalakrishnan; Thirumoorthy, Krishnan; Bhuvanesh, Nattamai; Nallasamy, Palanisami","Eight Membered Cyclic-Borasiloxanes: Synthesis, Structural, Photophysical, Steric Strain and DFT calculations","RSC Adv.","2016","","","","","10.1039/C6RA02080A","","","0.71073","MoKα","","0.0602","0.0474","","","0.1215","0.1325","","","","","","1.029","","","","has coordinates","183210","2020-10-21","18:00:00",""
"7225392","9.349","0.002","12.04","0.003","16.08","0.003","86.89","0.002","82.97","0.002","83.983","0.002","1784.9","0.7","110.15","","110.15","","","","","","","","","5","P -1","-P 1","2","","4,8-bis(4-ethylphenyl)-2,2,6,6-tetraphenyl-1,3,5,7,2,6,4,8-tetraoxadisiladiborocane","","- C40 H38 B2 O4 Si2 -","- C40 H38 B2 O4 Si2 -","- C80 H76 B4 O8 Si4 -","2","1","","Mohan, Gopalakrishnan; Thirumoorthy, Krishnan; Bhuvanesh, Nattamai; Nallasamy, Palanisami","Eight Membered Cyclic-Borasiloxanes: Synthesis, Structural, Photophysical, Steric Strain and DFT calculations","RSC Adv.","2016","","","","","10.1039/C6RA02080A","","","0.71073","MoKα","","0.0527","0.0432","","","0.1106","0.1174","","","","","","1.024","","","","has coordinates,has disorder","183210","2020-10-21","18:00:00",""
"7225393","9.269","0.006","10.361","0.007","19.149","0.012","82.604","0.009","87.095","0.007","83.427","0.009","1811","2","150.15","","150.15","","","","","","","","","5","P -1","-P 1","2","","4,8-di(naphthalen-2-yl)-2,2,6,6-tetraphenyl-1,3,5,7,2,6,4,8-tetraoxadisiladiborocane 4,8-di(naphthalen-2-yl)-2,2,6,6-tetraphenyl-1,3,5,7,2,6,4,8-tetraoxadisiladiborocane","","- C44 H34 B2 O4 Si2 -","- C44 H34 B2 O4 Si2 -","- C88 H68 B4 O8 Si4 -","2","1","","Mohan, Gopalakrishnan; Thirumoorthy, Krishnan; Bhuvanesh, Nattamai; Nallasamy, Palanisami","Eight Membered Cyclic-Borasiloxanes: Synthesis, Structural, Photophysical, Steric Strain and DFT calculations","RSC Adv.","2016","","","","","10.1039/C6RA02080A","","","0.71073","MoKα","","0.0858","0.0652","","","0.1636","0.1744","","","","","","1.062","","","","has coordinates,has disorder","183210","2020-10-21","18:00:00",""
"7225394","7.4373","0.0006","9.4766","0.0006","17.5593","0.0015","90","","90","","90","","1237.59","0.17","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(2S,4S)-4-amino-2-phenyl-3,4-dihydrobenzo[c][1,2]thiazine 2-oxide","","- C14 H14 N2 O S -","- C14 H14 N2 O S -","- C56 H56 N8 O4 S4 -","4","1","","Battula, Sivarama Krishna; G. V., Subbareddy; I. E., Chakravarthy; Saravanan, Vadivelu","Stereoselective synthesis of 4-aminobenzo[c][1,2]thiazine via a modification of the Harmata benzothiazine synthesis","RSC Adv.","2016","","","","","10.1039/C6RA08590C","","","0.71073","MoKα","","0.0324","0.0311","","","0.0767","0.078","","","","","","1.034","","","","has coordinates","183211","2020-10-21","18:00:00",""
"7225395","7.3097","0.0011","10.0954","0.0015","24.274","0.004","90","","90","","90","","1791.3","0.5","298","2","298","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C19 H20 N O4 S -","- C19 H20 N O4 S -","- C76 H80 N4 O16 S4 -","4","1","","Song, Yuming; Li, Ke; Shu, Tao; Xie, Yamei; Zhang, Yixin; Qu, Jingping","Prochiral Alkyl-aminomethyl Ketones as Convenient Precursors for Efficient Synthesis of Chiral (2,3,5)- Tri-substitued Pyrrolidines via an Organo-Catalysed Tandem Reaction","RSC Adv.","2016","","","","","10.1039/C6RA10153D","","","0.71073","MoKα","","0.0353","0.0323","","","0.0873","0.089","","","","","","1.041","","","","has coordinates","183212","2020-10-21","18:00:00",""
"7225396","10.156","0.003","17.874","0.005","20.771","0.006","90","","90","","90","","3770.5","1.9","298","2","298","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C19 H22.5 N O4.5 S -","- C19 H22.5 N O4.5 S -","- C152 H180 N8 O36 S8 -","8","2","","Song, Yuming; Li, Ke; Shu, Tao; Xie, Yamei; Zhang, Yixin; Qu, Jingping","Prochiral Alkyl-aminomethyl Ketones as Convenient Precursors for Efficient Synthesis of Chiral (2,3,5)- Tri-substitued Pyrrolidines via an Organo-Catalysed Tandem Reaction","RSC Adv.","2016","","","","","10.1039/C6RA10153D","","","0.71073","MoKα","","0.1043","0.0585","","","0.1402","0.1594","","","","","","1.006","","","","has coordinates","183212","2020-10-21","18:00:00",""
"7225397","10.2257","0.0002","12.3002","0.0002","19.2829","0.0003","77.153","0.001","77.761","0.001","72.052","0.001","2222.51","0.07","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C42 H37 Ag3 Co N10 O11 -","- C42 H37 Ag3 Co N10 O11 -","- C84 H74 Ag6 Co2 N20 O22 -","2","1","","Teja Illa, Giri; Satha, Pardhasaradhi; Purohit, Chandra Shekhar","Consecutive introduction of Ag(i)to an anionic homoleptic Co(iii) complex: variable Ag(i) coordination mode","CrystEngComm","2016","18","29","5512","","10.1039/C6CE00276E","","","0.71073","MoKα","","0.0877","0.0557","","","0.1432","0.1662","","","","","","1.044","","","","has coordinates","185258","2020-10-21","18:00:00",""
"7225398","11.527","0.004","11.527","0.004","19.263","0.014","90","","90","","90","","2560","2","296","2","296","2","","","","","","","","5","I -4","I -4","82","","","","- C14 H17 Co0.25 N2.25 O -","- C14 H17 Co0.25 N2.25 O -","- C112 H136 Co2 N18 O8 -","8","1","","Teja Illa, Giri; Satha, Pardhasaradhi; Purohit, Chandra Shekhar","Consecutive introduction of Ag(i)to an anionic homoleptic Co(iii) complex: variable Ag(i) coordination mode","CrystEngComm","2016","18","29","5512","","10.1039/C6CE00276E","","","0.71073","MoKα","","0.0683","0.0524","","","0.1433","0.1604","","","","","","1.028","","","","has coordinates","185258","2020-10-21","18:00:00",""
"7225399","11.595","0.005","13.528","0.005","13.555","0.005","88.726","0.005","83.438","0.005","77.73","0.005","2064","1.4","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C42 H45 Ag Co N9 O9 -","- C42 H45 Ag Co N9 O9 -","- C84 H90 Ag2 Co2 N18 O18 -","2","1","","Teja Illa, Giri; Satha, Pardhasaradhi; Purohit, Chandra Shekhar","Consecutive introduction of Ag(i)to an anionic homoleptic Co(iii) complex: variable Ag(i) coordination mode","CrystEngComm","2016","18","29","5512","","10.1039/C6CE00276E","","","0.71073","MoKα","","0.1047","0.0808","","","0.2241","0.244","","","","","","1.092","","","","has coordinates","185258","2020-10-21","18:00:00",""
"7225400","12.288","0.003","16.136","0.004","18.416","0.005","90","","98.103","0.01","90","","3615.1","1.6","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C40 H34 Ag Co N8 O5 -","- C40 H34 Ag Co N8 O5 -","- C160 H136 Ag4 Co4 N32 O20 -","4","1","","Teja Illa, Giri; Satha, Pardhasaradhi; Purohit, Chandra Shekhar","Consecutive introduction of Ag(i)to an anionic homoleptic Co(iii) complex: variable Ag(i) coordination mode","CrystEngComm","2016","18","29","5512","","10.1039/C6CE00276E","","","0.71073","MoKα","","0.0616","0.0375","","","0.0874","0.1007","","","","","","1.03","","","","has coordinates","185258","2020-10-21","18:00:00",""
"7225401","10.6927","0.0002","7.81215","0.00015","10.6458","0.0002","90","","95.5149","0.0018","90","","885.16","0.03","110.05","0.1","110.05","0.1","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C10 H10 O5 -","- C10 H10 O5 -","- C40 H40 O20 -","4","1","","Bai, Yinjuan; De bruyn, Mario; Clark, James H.; Dodson, Jennifer R.; Farmer, Thomas J.; Honoré, Mathilde; Ingram, Ian D. V.; Naguib, Mohamed; Whitwood, Adrian C.; North, Michael","Ring opening metathesis polymerisation of a new bio-derived monomer from itaconic anhydride and furfuryl alcohol","Green Chem.","2016","18","14","3945","","10.1039/C6GC00623J","","x-ray","1.54184","CuKα","","0.0354","0.0328","","","0.0809","0.0832","","","","","","1.038","","","","has coordinates","185558","2020-10-21","18:00:00",""
"7225402","7.4179","0.0004","20.0875","0.0012","11.2037","0.0007","90","","106.071","0.002","90","","1604.19","0.16","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C26 H38 Cu N8 O10 S2 -","- C26 H38 Cu N8 O10 S2 -","- C52 H76 Cu2 N16 O20 S4 -","2","0.5","","Mahmoud, Abdallah G.; Mahmudov, Kamran T.; Guedes da Silva, M. Fátima C.; Pombeiro, Armando J. L.","Reaction of sodium 2-(2-(2,4-dioxopentan-3-ylidene)hydrazinyl) benzenesulfonate with ethylenediamine on Cu(II) and Ni(II) centres: efficient Cu(II) homogeneous catalysts for cyanosilylation of aldehydes","RSC Adv.","2016","","","","","10.1039/C6RA12274D","","","0.71073","MoKα","","0.0484","0.0372","","","0.0971","0.103","","","","","","1.059","","","","has coordinates","183256","2020-10-21","18:00:00",""
"7225403","5.1923","0.001","8.6543","0.0016","16.704","0.003","81.729","0.005","88.354","0.006","78.606","0.006","728.2","0.2","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C13 H16 Cu N4 O4 S -","- C13 H16 Cu N4 O4 S -","- C26 H32 Cu2 N8 O8 S2 -","2","1","","Mahmoud, Abdallah G.; Mahmudov, Kamran T.; Guedes da Silva, M. Fátima C.; Pombeiro, Armando J. L.","Reaction of sodium 2-(2-(2,4-dioxopentan-3-ylidene)hydrazinyl) benzenesulfonate with ethylenediamine on Cu(II) and Ni(II) centres: efficient Cu(II) homogeneous catalysts for cyanosilylation of aldehydes","RSC Adv.","2016","","","","","10.1039/C6RA12274D","","","0.71069","MoKα","","0.0709","0.0407","","","0.0826","0.089","","","","","","0.994","","","","has coordinates","183256","2020-10-21","18:00:00",""
"7225404","11.5824","0.0007","13.5921","0.0007","14.6115","0.0009","72.171","0.003","75.626","0.004","85.53","0.003","2121.2","0.2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C30 H64 N10 Ni O17 S2 -","- C28 H46 N10 Ni O10 S2 -","- C56 H92 N20 Ni2 O20 S4 -","2","1","","Mahmoud, Abdallah G.; Mahmudov, Kamran T.; Guedes da Silva, M. Fátima C.; Pombeiro, Armando J. L.","Reaction of sodium 2-(2-(2,4-dioxopentan-3-ylidene)hydrazinyl) benzenesulfonate with ethylenediamine on Cu(II) and Ni(II) centres: efficient Cu(II) homogeneous catalysts for cyanosilylation of aldehydes","RSC Adv.","2016","","","","","10.1039/C6RA12274D","","","0.71069","MoKα","","0.1335","0.0604","","","0.1469","0.1705","","","","","","1.033","","","","has coordinates,has disorder","183256","2020-10-21","18:00:00",""
"7225405","13.2688","0.0018","17.186","0.002","14.3147","0.0019","90","","103.795","0.002","90","","3170.1","0.7","173","2","173","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C54 H68 Ag4 B4 F16 O8 S4 -","- C54 H68 Ag4 B4 F16 O8 S4 -","- C108 H136 Ag8 B8 F32 O16 S8 -","2","0.5","","Park, In-Hyeok; Kim, Hyun Jee; Ju, Huiyeong; Lee, Eunji; Kim, Seulgi; Lee, Shim Sung","Macrocyclic isomer-dependent supramolecular silver(i) complexes via endo/exo-coordination modes: a tetranuclear bis(macrocycle) complex vs. a 2D coordination polymer","CrystEngComm","2016","18","28","5253","","10.1039/C6CE01003B","","","0.71073","MoKα","","0.0463","0.0371","","","0.0991","0.1055","","","","","","1.014","","","","has coordinates","185266","2020-10-21","18:00:00",""
"7225406","19.608","0.002","11.9909","0.0013","22.223","0.002","90","","90","","90","","5225","0.9","173","2","173","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C50 H52 Ag2 Cl2 O12 S4 -","- C50 H52 Ag2 Cl2 O12 S4 -","- C200 H208 Ag8 Cl8 O48 S16 -","4","1","","Park, In-Hyeok; Kim, Hyun Jee; Ju, Huiyeong; Lee, Eunji; Kim, Seulgi; Lee, Shim Sung","Macrocyclic isomer-dependent supramolecular silver(i) complexes via endo/exo-coordination modes: a tetranuclear bis(macrocycle) complex vs. a 2D coordination polymer","CrystEngComm","2016","18","28","5253","","10.1039/C6CE01003B","","","0.71073","MoKα","","0.0726","0.0517","","","0.123","0.136","","","","","","1.068","","","","has coordinates,has disorder","185266","2020-10-21","18:00:00",""
"7225407","15.4","0.002","17.15","0.003","35.343","0.006","90","","93.279","0.002","90","","9319","3","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C120 H126 La2 N76 O94 -","- C120 H126 La2 N76 O94 -","- C240 H252 La4 N152 O188 -","2","0.5","","Yang, Bo; Gao, Zhong-Zheng; Lu, Ji-Hong; Zhu, Qian-Jiang; Xue, Sai-Feng; Tao, Zhu; Prior, Timothy J.; Redshaw, Carl; Wei, Gang; Xiao, Xin","Interaction of a symmetrical α,α′,δ,δ′-tetramethyl-cucurbit[6]uril with Ln3+: potential applications for isolation of lanthanides","CrystEngComm","2016","18","26","5028","","10.1039/C6CE00134C","","","0.71073","MoKα","","0.1514","0.0911","","","0.247","0.2966","","","","","","1.026","","","","has coordinates","185190","2020-10-21","18:00:00",""
"7225408","12.3756","0.0018","32.47","0.005","15.176","0.002","90","","92.089","0.005","90","","6094.2","1.5","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C40 H44 La N27 O32.5 -","- C40 H44 La N27 O32.5 -","- C160 H176 La4 N108 O130 -","4","1","","Yang, Bo; Gao, Zhong-Zheng; Lu, Ji-Hong; Zhu, Qian-Jiang; Xue, Sai-Feng; Tao, Zhu; Prior, Timothy J.; Redshaw, Carl; Wei, Gang; Xiao, Xin","Interaction of a symmetrical α,α′,δ,δ′-tetramethyl-cucurbit[6]uril with Ln3+: potential applications for isolation of lanthanides","CrystEngComm","2016","18","26","5028","","10.1039/C6CE00134C","","","0.71073","MoKα","","0.1034","0.0558","","","0.1325","0.1575","","","","","","1.029","","","","has coordinates","185190","2020-10-21","18:00:00",""
"7225409","22.4385","0.0018","12.4556","0.001","14.7421","0.0013","90","","114.782","0.002","90","","3740.8","0.5","293","2","293","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- C40 H44 Cl3 Dy N24 O20 -","- C40 H44 Cl3 Dy N24 O20 -","- C80 H88 Cl6 Dy2 N48 O40 -","2","0.25","","Yang, Bo; Gao, Zhong-Zheng; Lu, Ji-Hong; Zhu, Qian-Jiang; Xue, Sai-Feng; Tao, Zhu; Prior, Timothy J.; Redshaw, Carl; Wei, Gang; Xiao, Xin","Interaction of a symmetrical α,α′,δ,δ′-tetramethyl-cucurbit[6]uril with Ln3+: potential applications for isolation of lanthanides","CrystEngComm","2016","18","26","5028","","10.1039/C6CE00134C","","","0.71073","MoKα","","0.0426","0.0421","","","0.1233","0.1237","","","","","","1.141","","","","has coordinates","185190","2020-10-21","18:00:00",""
"7225410","22.434","0.005","12.421","0.003","14.859","0.003","90","","115.105","0.007","90","","3749.4","1.5","293","2","293","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- C40 H44 Cl3 Ho N24 O22 -","- C40 H44 Cl3 Ho N24 O22 -","- C80 H88 Cl6 Ho2 N48 O44 -","2","0.25","","Yang, Bo; Gao, Zhong-Zheng; Lu, Ji-Hong; Zhu, Qian-Jiang; Xue, Sai-Feng; Tao, Zhu; Prior, Timothy J.; Redshaw, Carl; Wei, Gang; Xiao, Xin","Interaction of a symmetrical α,α′,δ,δ′-tetramethyl-cucurbit[6]uril with Ln3+: potential applications for isolation of lanthanides","CrystEngComm","2016","18","26","5028","","10.1039/C6CE00134C","","","0.71073","MoKα","","0.0457","0.0455","","","0.1306","0.131","","","","","","1.125","","","","has coordinates,has disorder","185190","2020-10-21","18:00:00",""
"7225411","22.429","0.003","12.4151","0.0015","14.8727","0.0018","90","","115.035","0.004","90","","3752.3","0.8","293","2","293","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- C40 H44 Cl3 Er N24 O26 -","- C40 H40 Cl3 Er N24 O26 -","- C80 H80 Cl6 Er2 N48 O52 -","2","0.25","","Yang, Bo; Gao, Zhong-Zheng; Lu, Ji-Hong; Zhu, Qian-Jiang; Xue, Sai-Feng; Tao, Zhu; Prior, Timothy J.; Redshaw, Carl; Wei, Gang; Xiao, Xin","Interaction of a symmetrical α,α′,δ,δ′-tetramethyl-cucurbit[6]uril with Ln3+: potential applications for isolation of lanthanides","CrystEngComm","2016","18","26","5028","","10.1039/C6CE00134C","","","0.71073","MoKα","","0.0733","0.0729","","","0.219","0.2199","","","","","","1.228","","","","has coordinates,has disorder","185190","2020-10-21","18:00:00",""
"7225412","22.438","0.003","12.3991","0.0018","14.869","0.002","90","","115.027","0.002","90","","3748.3","0.9","293","2","293","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- C40 H44 Cl3 N24 O20 Tm -","- C40 H48 Cl3 N24 O20 Tm -","- C80 H96 Cl6 N48 O40 Tm2 -","2","0.25","","Yang, Bo; Gao, Zhong-Zheng; Lu, Ji-Hong; Zhu, Qian-Jiang; Xue, Sai-Feng; Tao, Zhu; Prior, Timothy J.; Redshaw, Carl; Wei, Gang; Xiao, Xin","Interaction of a symmetrical α,α′,δ,δ′-tetramethyl-cucurbit[6]uril with Ln3+: potential applications for isolation of lanthanides","CrystEngComm","2016","18","26","5028","","10.1039/C6CE00134C","","","0.71073","MoKα","","0.0737","0.0732","","","0.2265","0.2275","","","","","","1.23","","","","has coordinates,has disorder","185190","2020-10-21","18:00:00",""
"7225413","22.429","0.01","12.394","0.006","14.895","0.007","90","","115.018","0.004","90","","3752","3","293","2","293","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- C40 H44 Cl3 N24 O20 Yb -","- C40 H48 Cl3 N24 O20 Yb -","- C80 H96 Cl6 N48 O40 Yb2 -","2","0.25","","Yang, Bo; Gao, Zhong-Zheng; Lu, Ji-Hong; Zhu, Qian-Jiang; Xue, Sai-Feng; Tao, Zhu; Prior, Timothy J.; Redshaw, Carl; Wei, Gang; Xiao, Xin","Interaction of a symmetrical α,α′,δ,δ′-tetramethyl-cucurbit[6]uril with Ln3+: potential applications for isolation of lanthanides","CrystEngComm","2016","18","26","5028","","10.1039/C6CE00134C","","","0.71073","MoKα","","0.0729","0.0725","","","0.2252","0.2262","","","","","","1.248","","","","has coordinates,has disorder","185190","2020-10-21","18:00:00",""
"7225414","22.372","0.005","12.33","0.003","14.778","0.003","90","","114.881","0.007","90","","3698.1","1.4","293","2","293","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- C40 H44 Cl3 Lu N24 O22 -","- C40 H48 Cl3 Lu N24 O22 -","- C80 H96 Cl6 Lu2 N48 O44 -","2","0.25","","Yang, Bo; Gao, Zhong-Zheng; Lu, Ji-Hong; Zhu, Qian-Jiang; Xue, Sai-Feng; Tao, Zhu; Prior, Timothy J.; Redshaw, Carl; Wei, Gang; Xiao, Xin","Interaction of a symmetrical α,α′,δ,δ′-tetramethyl-cucurbit[6]uril with Ln3+: potential applications for isolation of lanthanides","CrystEngComm","2016","18","26","5028","","10.1039/C6CE00134C","","","0.71073","MoKα","","0.0762","0.0742","","","0.2233","0.2261","","","","","","1.194","","","","has coordinates,has disorder","185190","2020-10-21","18:00:00",""
"7225415","15.375","0.004","17.143","0.004","35.259","0.009","90","","93.376","0.003","90","","9277","4","223","2","223","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","2'","","","- C120 H132 Ce2 N76 O64 -","- C120 H132 Ce2 N76 O64 -","- C240 H264 Ce4 N152 O128 -","2","0.5","","Yang, Bo; Gao, Zhong-Zheng; Lu, Ji-Hong; Zhu, Qian-Jiang; Xue, Sai-Feng; Tao, Zhu; Prior, Timothy J.; Redshaw, Carl; Wei, Gang; Xiao, Xin","Interaction of a symmetrical α,α′,δ,δ′-tetramethyl-cucurbit[6]uril with Ln3+: potential applications for isolation of lanthanides","CrystEngComm","2016","18","26","5028","","10.1039/C6CE00134C","","","0.71073","MoKα","","0.0939","0.057","","","0.1329","0.1473","","","","","","0.929","","","","has coordinates","185190","2020-10-21","18:00:00",""
"7225416","12.322","0.002","32.346","0.006","15.145","0.003","90","","92.505","0.002","90","","6030.5","1.9","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C40 H44 Ce N27 O33 -","- C40 H44 Ce N27 O33 -","- C160 H176 Ce4 N108 O132 -","4","1","","Yang, Bo; Gao, Zhong-Zheng; Lu, Ji-Hong; Zhu, Qian-Jiang; Xue, Sai-Feng; Tao, Zhu; Prior, Timothy J.; Redshaw, Carl; Wei, Gang; Xiao, Xin","Interaction of a symmetrical α,α′,δ,δ′-tetramethyl-cucurbit[6]uril with Ln3+: potential applications for isolation of lanthanides","CrystEngComm","2016","18","26","5028","","10.1039/C6CE00134C","","","0.71073","MoKα","","0.0754","0.0489","","","0.1241","0.1398","","","","","","1.028","","","","has coordinates,has disorder","185190","2020-10-21","18:00:00",""
"7225417","25.508","0.017","10.756","0.007","14.224","0.009","90","","90","","90","","3903","4","293","2","293","2","","","","","","","","6","P m n a","-P 2ac 2","53","","","","- C40 H44 Cl3 N25 O21 Pr2 -","- C40 H44 Cl3 N25 O21 Pr2 -","- C80 H88 Cl6 N50 O42 Pr4 -","2","0.25","","Yang, Bo; Gao, Zhong-Zheng; Lu, Ji-Hong; Zhu, Qian-Jiang; Xue, Sai-Feng; Tao, Zhu; Prior, Timothy J.; Redshaw, Carl; Wei, Gang; Xiao, Xin","Interaction of a symmetrical α,α′,δ,δ′-tetramethyl-cucurbit[6]uril with Ln3+: potential applications for isolation of lanthanides","CrystEngComm","2016","18","26","5028","","10.1039/C6CE00134C","","","0.71073","MoKα","","0.1043","0.0581","","","0.1643","0.2063","","","","","","0.949","","","","has coordinates","185190","2020-10-21","18:00:00",""
"7225418","15.507","0.008","17.145","0.009","35.161","0.019","90","","93.37","0.008","90","","9332","9","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C120 H132 N76 O56 Pr2 -","- C120 H132 N76 O56 Pr2 -","- C240 H264 N152 O112 Pr4 -","2","0.5","","Yang, Bo; Gao, Zhong-Zheng; Lu, Ji-Hong; Zhu, Qian-Jiang; Xue, Sai-Feng; Tao, Zhu; Prior, Timothy J.; Redshaw, Carl; Wei, Gang; Xiao, Xin","Interaction of a symmetrical α,α′,δ,δ′-tetramethyl-cucurbit[6]uril with Ln3+: potential applications for isolation of lanthanides","CrystEngComm","2016","18","26","5028","","10.1039/C6CE00134C","","","0.71073","MoKα","","0.0966","0.0505","","","0.1202","0.1394","","","","","","0.978","","","","has coordinates","185190","2020-10-21","18:00:00",""
"7225419","22.63","0.02","12.723","0.014","14.913","0.016","90","","116.085","0.01","90","","3856","7","293","2","293","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C40 H44 N24 O34 Pr -","- C40 H44 N24 O34 Pr -","- C80 H88 N48 O68 Pr2 -","2","0.25","","Yang, Bo; Gao, Zhong-Zheng; Lu, Ji-Hong; Zhu, Qian-Jiang; Xue, Sai-Feng; Tao, Zhu; Prior, Timothy J.; Redshaw, Carl; Wei, Gang; Xiao, Xin","Interaction of a symmetrical α,α′,δ,δ′-tetramethyl-cucurbit[6]uril with Ln3+: potential applications for isolation of lanthanides","CrystEngComm","2016","18","26","5028","","10.1039/C6CE00134C","","","0.71073","MoKα","","0.0729","0.0707","","","0.2198","0.2239","","","","","","1.153","","","","has coordinates,has disorder","185190","2020-10-21","18:00:00",""
"7225420","25.819","0.015","10.779","0.006","14.304","0.008","90","","90","","90","","3981","4","293","2","293","2","","","","","","","","6","P m n a","-P 2ac 2","53","","","","- C40 H46 Cl2 N26 Nd2 O30 -","- C40 H46 Cl2 N26 Nd2 O30.008 -","- C80 H92 Cl4 N52 Nd4 O60.016 -","2","0.25","","Yang, Bo; Gao, Zhong-Zheng; Lu, Ji-Hong; Zhu, Qian-Jiang; Xue, Sai-Feng; Tao, Zhu; Prior, Timothy J.; Redshaw, Carl; Wei, Gang; Xiao, Xin","Interaction of a symmetrical α,α′,δ,δ′-tetramethyl-cucurbit[6]uril with Ln3+: potential applications for isolation of lanthanides","CrystEngComm","2016","18","26","5028","","10.1039/C6CE00134C","","","0.71073","MoKα","","0.1303","0.0894","","","0.281","0.3194","","","","","","1.071","","","","has coordinates,has disorder","185190","2020-10-21","18:00:00",""
"7225421","15.408","0.0017","17.0805","0.0019","35.289","0.004","90","","92.852","0.001","90","","9275.7","1.8","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C120 H126 N78 Nd2 O94 -","- C120 H126 N78 Nd2 O94 -","- C240 H252 N156 Nd4 O188 -","2","0.5","","Yang, Bo; Gao, Zhong-Zheng; Lu, Ji-Hong; Zhu, Qian-Jiang; Xue, Sai-Feng; Tao, Zhu; Prior, Timothy J.; Redshaw, Carl; Wei, Gang; Xiao, Xin","Interaction of a symmetrical α,α′,δ,δ′-tetramethyl-cucurbit[6]uril with Ln3+: potential applications for isolation of lanthanides","CrystEngComm","2016","18","26","5028","","10.1039/C6CE00134C","","","0.71073","MoKα","","0.093","0.0728","","","0.2276","0.2487","","","","","","1.047","","","","has coordinates","185190","2020-10-21","18:00:00",""
"7225422","22.295","0.013","12.542","0.007","14.812","0.008","90","","116.125","0.006","90","","3719","4","293","2","293","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- C40 H44 Cl0 N24 Nd O22 -","- C40 H44 N24 Nd O22 -","- C80 H88 N48 Nd2 O44 -","2","0.25","","Yang, Bo; Gao, Zhong-Zheng; Lu, Ji-Hong; Zhu, Qian-Jiang; Xue, Sai-Feng; Tao, Zhu; Prior, Timothy J.; Redshaw, Carl; Wei, Gang; Xiao, Xin","Interaction of a symmetrical α,α′,δ,δ′-tetramethyl-cucurbit[6]uril with Ln3+: potential applications for isolation of lanthanides","CrystEngComm","2016","18","26","5028","","10.1039/C6CE00134C","","","0.71073","MoKα","","0.0347","0.0335","","","0.0972","0.0982","","","","","","1.108","","","","has coordinates,has disorder","185190","2020-10-21","18:00:00",""
"7225423","25.712","0.009","10.726","0.004","14.392","0.005","90","","90","","90","","3969","2","293","2","293","2","","","","","","","","6","P m n a","-P 2ac 2","53","","","","- C40 H44 Cl2 N26 O29 Sm2 -","- C40 H44 Cl2 N26 O29 Sm2 -","- C80 H88 Cl4 N52 O58 Sm4 -","2","0.25","","Yang, Bo; Gao, Zhong-Zheng; Lu, Ji-Hong; Zhu, Qian-Jiang; Xue, Sai-Feng; Tao, Zhu; Prior, Timothy J.; Redshaw, Carl; Wei, Gang; Xiao, Xin","Interaction of a symmetrical α,α′,δ,δ′-tetramethyl-cucurbit[6]uril with Ln3+: potential applications for isolation of lanthanides","CrystEngComm","2016","18","26","5028","","10.1039/C6CE00134C","","","0.71073","MoKα","","0.0841","0.0665","","","0.2009","0.2159","","","","","","1.056","","","","has coordinates,has disorder","185190","2020-10-21","18:00:00",""
"7225424","22.308","0.01","12.54","0.006","14.747","0.007","90","","115.685","0.004","90","","3718","3","293","2","293","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C40 H44 N24 O20 Sm -","- C40 H46 N24 O20 Sm -","- C80 H92 N48 O40 Sm2 -","2","0.25","","Yang, Bo; Gao, Zhong-Zheng; Lu, Ji-Hong; Zhu, Qian-Jiang; Xue, Sai-Feng; Tao, Zhu; Prior, Timothy J.; Redshaw, Carl; Wei, Gang; Xiao, Xin","Interaction of a symmetrical α,α′,δ,δ′-tetramethyl-cucurbit[6]uril with Ln3+: potential applications for isolation of lanthanides","CrystEngComm","2016","18","26","5028","","10.1039/C6CE00134C","","","0.71073","MoKα","","0.0377","0.0354","","","0.0993","0.1017","","","","","","1.121","","","","has coordinates,has disorder","185190","2020-10-21","18:00:00",""
"7225425","22.329","0.01","12.544","0.006","14.897","0.007","90","","116.15","0.005","90","","3745","3","293","2","293","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C40 H44 Eu N24 O22 -","- C40 H44 Eu N24 O22 -","- C80 H88 Eu2 N48 O44 -","2","0.25","","Yang, Bo; Gao, Zhong-Zheng; Lu, Ji-Hong; Zhu, Qian-Jiang; Xue, Sai-Feng; Tao, Zhu; Prior, Timothy J.; Redshaw, Carl; Wei, Gang; Xiao, Xin","Interaction of a symmetrical α,α′,δ,δ′-tetramethyl-cucurbit[6]uril with Ln3+: potential applications for isolation of lanthanides","CrystEngComm","2016","18","26","5028","","10.1039/C6CE00134C","","","0.71073","MoKα","","0.0641","0.0593","","","0.1666","0.1703","","","","","","1.088","","","","has coordinates,has disorder","185190","2020-10-21","18:00:00",""
"7225426","22.397","0.003","12.4587","0.0016","14.729","0.002","90","","115.102","0.004","90","","3721.8","0.9","293","2","293","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- C40 H44 Cl3 Gd N24 O21 -","- C40 H48 Cl3 Gd N24 O21 -","- C80 H96 Cl6 Gd2 N48 O42 -","2","0.25","","Yang, Bo; Gao, Zhong-Zheng; Lu, Ji-Hong; Zhu, Qian-Jiang; Xue, Sai-Feng; Tao, Zhu; Prior, Timothy J.; Redshaw, Carl; Wei, Gang; Xiao, Xin","Interaction of a symmetrical α,α′,δ,δ′-tetramethyl-cucurbit[6]uril with Ln3+: potential applications for isolation of lanthanides","CrystEngComm","2016","18","26","5028","","10.1039/C6CE00134C","","","0.71073","MoKα","","0.0766","0.0736","","","0.224","0.228","","","","","","1.117","","","","has coordinates,has disorder","185190","2020-10-21","18:00:00",""
"7225427","22.443","0.005","12.472","0.002","14.88","0.003","90","","115.094","0.007","90","","3771.9","1.3","293","2","293","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- C40 H44 Cl3 N24 O20 Tb -","- C40 H48 Cl3.0002 N24 O20 Tb -","- C80 H96 Cl6.0004 N48 O40 Tb2 -","2","0.25","","Yang, Bo; Gao, Zhong-Zheng; Lu, Ji-Hong; Zhu, Qian-Jiang; Xue, Sai-Feng; Tao, Zhu; Prior, Timothy J.; Redshaw, Carl; Wei, Gang; Xiao, Xin","Interaction of a symmetrical α,α′,δ,δ′-tetramethyl-cucurbit[6]uril with Ln3+: potential applications for isolation of lanthanides","CrystEngComm","2016","18","26","5028","","10.1039/C6CE00134C","","","0.71073","MoKα","","0.0547","0.0541","","","0.1665","0.1671","","","","","","1.163","","","","has coordinates,has disorder","185190","2020-10-21","18:00:00",""
"7225428","11.0265","0.0016","13.461","0.002","25.8071","0.0019","90","","98.093","0.002","90","","3792.3","0.8","291","2","291","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C143 H123 N13 O33 Zn8 -","- C143 H123 N13 O33 Zn8 -","- C143 H123 N13 O33 Zn8 -","1","0.25","","Nie, Ai-Yang; Tong, Yong-Li; Zhou, Hu; Cao, Ling-Ling; Yu, Hui; Shi, Chao; Yuan, Aihua","Eight Zn(II) and Cd(II) complexes based on the aromatic C-centered triangular multicarboxylate and N-donor mixed ligands","RSC Adv.","2016","","","","","10.1039/C6RA10144E","","","0.71073","MoKα","","0.0691","0.0553","","","0.1463","0.1485","","","","","","1.019","","","","has coordinates","183271","2020-10-21","18:00:00",""
"7225429","11.4877","0.0012","14.3195","0.0014","24.3237","0.0015","90","","99.615","0.002","90","","3945","0.6","291","2","291","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C37 H29 N3 O9 Zn2 -","- C37 H29 N3 O9 Zn2 -","- C148 H116 N12 O36 Zn8 -","4","1","","Nie, Ai-Yang; Tong, Yong-Li; Zhou, Hu; Cao, Ling-Ling; Yu, Hui; Shi, Chao; Yuan, Aihua","Eight Zn(II) and Cd(II) complexes based on the aromatic C-centered triangular multicarboxylate and N-donor mixed ligands","RSC Adv.","2016","","","","","10.1039/C6RA10144E","","","0.71073","MoKα","","0.0844","0.0402","","","0.1054","0.1248","","","","","","1.052","","","","has coordinates","183271","2020-10-21","18:00:00",""
"7225430","14.313","0.0018","23.533","0.002","10.1409","0.0013","90","","100.919","0.002","90","","3353.9","0.7","291","2","291","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C37 H27 N3 O9 Zn2 -","- C37 H27 N3 O9 Zn2 -","- C148 H108 N12 O36 Zn8 -","4","1","","Nie, Ai-Yang; Tong, Yong-Li; Zhou, Hu; Cao, Ling-Ling; Yu, Hui; Shi, Chao; Yuan, Aihua","Eight Zn(II) and Cd(II) complexes based on the aromatic C-centered triangular multicarboxylate and N-donor mixed ligands","RSC Adv.","2016","","","","","10.1039/C6RA10144E","","","0.71073","MoKα","","0.0511","0.0361","","","0.1058","0.1087","","","","","","1.012","","","","has coordinates","198632","2020-10-21","18:00:00",""
"7225431","9.405","0.003","13.541","0.003","14.045","0.002","116.75","0.02","90.123","0.01","106.568","0.018","1513","0.7","291","2","291","2","","","","","","","","5","P -1","-P 1","2","","","","- C56 H40 N2 O16 Zn3 -","- C56 H40 N2 O16 Zn3 -","- C56 H40 N2 O16 Zn3 -","1","0.5","","Nie, Ai-Yang; Tong, Yong-Li; Zhou, Hu; Cao, Ling-Ling; Yu, Hui; Shi, Chao; Yuan, Aihua","Eight Zn(II) and Cd(II) complexes based on the aromatic C-centered triangular multicarboxylate and N-donor mixed ligands","RSC Adv.","2016","","","","","10.1039/C6RA10144E","","","0.71073","MoKα","","0.0712","0.0404","","","0.1118","0.1186","","","","","","1.004","","","","has coordinates","183271","2020-10-21","18:00:00",""
"7225432","14.054","0.003","25.465","0.002","17.291","0.003","90","","102.384","0.003","90","","6044.2","1.7","291","2","291","2","","","","","","","","5","P 1 2/n 1","-P 2yac","13","","","","- C50 H44 Cd3 N2 O16 -","- C50 H44 Cd3 N2 O16 -","- C200 H176 Cd12 N8 O64 -","4","1","","Nie, Ai-Yang; Tong, Yong-Li; Zhou, Hu; Cao, Ling-Ling; Yu, Hui; Shi, Chao; Yuan, Aihua","Eight Zn(II) and Cd(II) complexes based on the aromatic C-centered triangular multicarboxylate and N-donor mixed ligands","RSC Adv.","2016","","","","","10.1039/C6RA10144E","","","0.71073","MoKα","","0.0568","0.0437","","","0.1035","0.1058","","","","","","1.039","","","","has coordinates","183271","2020-10-21","18:00:00",""
"7225433","13.3405","0.0013","9.3835","0.0012","23.3073","0.0013","90","","94.221","0.003","90","","2909.7","0.5","291","2","291","2","","","","","","","","5","P 1 2/n 1","-P 2yac","13","","","","- C54 H34 Cd3 N2 O12 -","- C54 H34 Cd3 N2 O12 -","- C108 H68 Cd6 N4 O24 -","2","0.5","","Nie, Ai-Yang; Tong, Yong-Li; Zhou, Hu; Cao, Ling-Ling; Yu, Hui; Shi, Chao; Yuan, Aihua","Eight Zn(II) and Cd(II) complexes based on the aromatic C-centered triangular multicarboxylate and N-donor mixed ligands","RSC Adv.","2016","","","","","10.1039/C6RA10144E","","","0.71073","MoKα","","0.0492","0.0462","","","0.1262","0.1274","","","","","","0.887","","","","has coordinates","183271","2020-10-21","18:00:00",""
"7225434","9.3767","0.0015","13.5246","0.0018","14.0167","0.0014","63.182","0.003","89.797","0.003","73.3358","0.0014","1503.2","0.4","291","2","291","2","","","","","","","","5","P -1","-P 1","2","","","","- C56 H36 Cd3 N2 O12 -","- C56 H36 Cd3 N2 O12 -","- C56 H36 Cd3 N2 O12 -","1","0.5","","Nie, Ai-Yang; Tong, Yong-Li; Zhou, Hu; Cao, Ling-Ling; Yu, Hui; Shi, Chao; Yuan, Aihua","Eight Zn(II) and Cd(II) complexes based on the aromatic C-centered triangular multicarboxylate and N-donor mixed ligands","RSC Adv.","2016","","","","","10.1039/C6RA10144E","","","0.71073","MoKα","","0.0524","0.0422","","","0.0993","0.103","","","","","","1.056","","","","has coordinates","183271","2020-10-21","18:00:00",""
"7225435","13.179","0.002","13.63","0.002","13.915","0.002","64.597","0.003","79.867","0.004","64.592","0.003","2039.4","0.5","291","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C70 H56 Cd3 N6 O16 -","- C70 H56 Cd3 N6 O16 -","- C70 H56 Cd3 N6 O16 -","1","0.5","","Nie, Ai-Yang; Tong, Yong-Li; Zhou, Hu; Cao, Ling-Ling; Yu, Hui; Shi, Chao; Yuan, Aihua","Eight Zn(II) and Cd(II) complexes based on the aromatic C-centered triangular multicarboxylate and N-donor mixed ligands","RSC Adv.","2016","","","","","10.1039/C6RA10144E","","","0.71073","MoKα","","0.0669","0.0532","","","0.1116","0.1154","","","","","","1.06","","","","has coordinates","183271","2020-10-21","18:00:00",""
"7225436","21.929","0.005","33.624","0.008","28.543","0.007","90","","95.706","0.005","90","","20942","9","291","2","291","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Mn4Dy4","","- C128 H158 Dy4 Mn4 N38 O58 -","- C128 H158 Dy4 Mn4 N38 O58 -","- C512 H632 Dy16 Mn16 N152 O232 -","4","1","","Wang, Feng; Peng, Hua; Yu, Ding","An Octanuclear MnIII4DyIII4 Cluster Connected via Two μ5-NO3- Bridges with Slow Relaxation of Magnetization","RSC Adv.","2016","","","","","10.1039/C6RA08314E","","","0.71073","MoKα","","0.0841","0.0547","","","0.1264","0.1357","","","","","","1.083","","","","has coordinates","183272","2020-10-21","18:00:00",""
"7225437","9.0038","0.0002","13.6511","0.0003","14.6295","0.0004","90","","102.156","0.0012","90","","1757.82","0.07","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C19 H16 Cl N O5 -","- C19 H16 Cl N O5 -","- C76 H64 Cl4 N4 O20 -","4","1","","Paramasivan Thirumalai, Perumal; nataraj, poomathi","Cinchona alkaloid and di-tert-butyldicarbonate-DMAP promoted efficient synthesis of (E)-nitroolefins","RSC Adv.","2016","","","","","10.1039/C6RA06644E","","","0.71073","MoKα","","0.046","0.0348","","","0.0722","0.0799","","","","","","0.972","","","","has coordinates","183273","2020-10-21","18:00:00",""
"7225438","4.5103","0.0003","19.8005","0.0015","12.1942","0.0008","90","","95.592","0.007","90","","1083.83","0.13","297","2","297","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C12 H9 Br N2 O -","- C12 H9 Br N2 O -","- C48 H36 Br4 N8 O4 -","4","1","","Safin, Damir A.; Babashkina, Maria G.; Robeyns, Koen; Garcia, Yann","C‒H⋯Br‒C vs. C‒Br⋯Br‒C vs. C‒Br⋯N bonding in molecular self-assembly of pyridine-containing dyes","RSC Adv.","2016","6","59","53669","","10.1039/C6RA10094E","","","0.71073","MoKα","","0.0426","0.0356","","","0.094","0.0979","","","","","","1","","","","has coordinates","183274","2020-10-21","18:00:00",""
"7225439","6.1946","0.0006","7.0152","0.0007","25.1","0.002","90","","90","","90","","1090.75","0.17","293","2","293","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C12 H9 Br N2 O -","- C12 H9 Br N2 O -","- C48 H36 Br4 N8 O4 -","4","1","","Safin, Damir A.; Babashkina, Maria G.; Robeyns, Koen; Garcia, Yann","C‒H⋯Br‒C vs. C‒Br⋯Br‒C vs. C‒Br⋯N bonding in molecular self-assembly of pyridine-containing dyes","RSC Adv.","2016","6","59","53669","","10.1039/C6RA10094E","","","0.71073","MoKα","","0.054","0.0477","","","0.1152","0.1185","","","","","","1.105","","","","has coordinates","183274","2020-10-21","18:00:00",""
"7225440","11.453","0.005","25.177","0.005","19.727","0.005","90","","101.668","0.005","90","","5571","3","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C58 H68 N8 O10 Ru -","- C58 H68 N8 O10 Ru -","- C232 H272 N32 O40 Ru4 -","4","0.5","","Narayanasamy, Vilvamani; Chhatwal, Megha; Bhowmick, Indrani; Gupta, Rinkoo Devi; Awasthi, Satish Kumar","Gold nanocomposite assemblies using functionalized Ru(II)-polypyridyl complexes","RSC Adv.","2016","","","","","10.1039/C6RA11516K","","","0.71073","MoKα","","0.1006","0.0722","","","0.137","0.1483","","","","","","1.091","","","","has coordinates","183275","2020-10-21","18:00:00",""
"7225441","8.9365","0.0007","10.9597","0.0009","11.7375","0.0009","100.397","0.002","92.839","0.002","105.871","0.002","1081.65","0.15","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C23 H21 N2 O2 S -","- C25 H22 N2 O3 S -","- C50 H44 N4 O6 S2 -","2","1","","Das, Asish R.; Saha, Moumita; Pradhan, Koyel","Facile and eco-friendly synthesis of chromeno[4,3-b]pyrrol-4(1H)-one derivatives applying magnetically recoverable nano crystalline CuFe2O4 involving a domino three-component reaction in aqueous media","RSC Adv.","2016","","","","","10.1039/C6RA06979G","","","0.71073","MoKα","","0.2291","0.1963","","","0.2","0.24","","","","","","4.875","","","","has coordinates","288245","2023-12-12","10:28:29",""
"7225442","6.104","0.0005","8.9243","0.0008","12.0304","0.0014","90","","99.516","0.008","90","","646.33","0.11","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","chlorpropamide","4-chloro-N-((propylaminocarbonyl)benzenesulfonamide","","- C10 H13 Cl N2 O3 S -","- C10 H13 Cl N2 O3 S -","- C20 H26 Cl2 N4 O6 S2 -","2","1","","Zakharov, B. A.; Goryainov, S. V.; Boldyreva, E. V.","Unusual seeding effect in the liquid-assisted high-pressure polymorphism of chlorpropamide","CrystEngComm","2016","18","29","5423","","10.1039/C6CE00711B","","","0.81984","x-rays","","0.1033","0.0665","","","0.1878","0.2044","","","","","","1.178","","","","has coordinates","185259","2020-10-21","18:00:00",""
"7225443","11.6939","0.0008","15.2594","0.0014","15.931","0.0013","90","","90","","90","","2842.8","0.4","120","2","120","2","","","","","","","","7","P b c n","-P 2n 2ab","60","","","","- C20 H28 N4 Ni O4 P2 S5 -","- C20 H28 N4 Ni O4 P2 S5 -","- C80 H112 N16 Ni4 O16 P8 S20 -","4","0.5","","Aragoni, M. Carla; Arca, Massimiliano; Coles, Simon J.; Crespo Alonso, Miriam; Coles (née Huth), Susanne L.; Davies, Robert P.; Hursthouse, Michael B.; Isaia, Francesco; Lai, Romina; Lippolis, Vito","Coordination polymers and polygons using di-pyridyl-thiadiazole spacers and substituted phosphorodithioato NiIIcomplexes: potential and limitations for inorganic crystal engineering","CrystEngComm","2016","18","30","5620","","10.1039/C6CE00991C","","","0.71073","MoKα","","0.0438","0.0331","","","0.0817","0.0903","","","","","","0.86","","","","has coordinates","185178","2020-10-21","18:00:00",""
"7225444","11.728","0.002","14.435","0.003","18.657","0.004","104.4","0.03","103.02","0.03","101.92","0.03","2862.9","1.3","120","2","120","2","","","","","","","","7","P -1","-P 1","2","","2007slh1465/ssg1554/208","","- C40 H56 N8 Ni2 O8 P4 S10 -","- C40 H56 N8 Ni2 O8 P4 S10 -","- C80 H112 N16 Ni4 O16 P8 S20 -","2","1","","Aragoni, M. Carla; Arca, Massimiliano; Coles, Simon J.; Crespo Alonso, Miriam; Coles (née Huth), Susanne L.; Davies, Robert P.; Hursthouse, Michael B.; Isaia, Francesco; Lai, Romina; Lippolis, Vito","Coordination polymers and polygons using di-pyridyl-thiadiazole spacers and substituted phosphorodithioato NiIIcomplexes: potential and limitations for inorganic crystal engineering","CrystEngComm","2016","18","30","5620","","10.1039/C6CE00991C","","","0.6893","synchrotron","","0.1277","0.0969","","","0.2445","0.2663","","","","","","1.137","","","","has coordinates","185178","2020-10-21","18:00:00",""
"7225445","6.8385","0.0002","12.0415","0.0003","22.6405","0.0004","101.922","0.002","97.35","0.002","93.086","0.002","1802.95","0.08","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C36 H28 N4 Ni P2 S5 -","- C36 H28 N4 Ni P2 S5 -","- C72 H56 N8 Ni2 P4 S10 -","2","1","","Aragoni, M. Carla; Arca, Massimiliano; Coles, Simon J.; Crespo Alonso, Miriam; Coles (née Huth), Susanne L.; Davies, Robert P.; Hursthouse, Michael B.; Isaia, Francesco; Lai, Romina; Lippolis, Vito","Coordination polymers and polygons using di-pyridyl-thiadiazole spacers and substituted phosphorodithioato NiIIcomplexes: potential and limitations for inorganic crystal engineering","CrystEngComm","2016","18","30","5620","","10.1039/C6CE00991C","","","0.71073","MoKα","","0.0684","0.0407","","","0.1033","0.114","","","","","","0.964","","","","has coordinates","185178","2020-10-21","18:00:00",""
"7225446","12.8213","0.0003","7.2342","0.0002","19.1246","0.0003","90","","106.186","0.001","90","","1703.53","0.07","120","2","120","2","","","","","","","","7","P 1 2/n 1","-P 2yac","13","","2007slh0908/189","","- C28 H28 N4 Ni O4 P2 S5 -","- C28 H28 N3.984 Ni O4 P2 S5.016 -","- C56 H56 N7.968 Ni2 O8 P4 S10.032 -","2","0.5","","Aragoni, M. Carla; Arca, Massimiliano; Coles, Simon J.; Crespo Alonso, Miriam; Coles (née Huth), Susanne L.; Davies, Robert P.; Hursthouse, Michael B.; Isaia, Francesco; Lai, Romina; Lippolis, Vito","Coordination polymers and polygons using di-pyridyl-thiadiazole spacers and substituted phosphorodithioato NiIIcomplexes: potential and limitations for inorganic crystal engineering","CrystEngComm","2016","18","30","5620","","10.1039/C6CE00991C","","","0.71073","MoKα","","0.0459","0.0372","","","0.0741","0.0778","","","","","","1.04","","","","has coordinates,has disorder","185178","2020-10-21","18:00:00",""
"7225447","16.542","0.003","7.489","0.002","20.642","0.006","90","","94.29","0.02","90","","2550","1.1","120","2","120","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C16 H20 N4 Ni O4 P2 S5 -","- C16 H20 N4 Ni O4 P2 S5 -","- C64 H80 N16 Ni4 O16 P8 S20 -","4","1","","Aragoni, M. Carla; Arca, Massimiliano; Coles, Simon J.; Crespo Alonso, Miriam; Coles (née Huth), Susanne L.; Davies, Robert P.; Hursthouse, Michael B.; Isaia, Francesco; Lai, Romina; Lippolis, Vito","Coordination polymers and polygons using di-pyridyl-thiadiazole spacers and substituted phosphorodithioato NiIIcomplexes: potential and limitations for inorganic crystal engineering","CrystEngComm","2016","18","30","5620","","10.1039/C6CE00991C","","","0.71073","MoKα","","0.0868","0.0492","","","0.1031","0.1164","","","","","","1.051","","","","has coordinates,has disorder","185178","2020-10-21","18:00:00",""
"7225448","9.7075","0.0002","10.6736","0.0002","17.4582","0.0003","73.23","0.001","87.086","0.001","72.131","0.001","1647.02","0.06","120","2","120","2","","","","","","","","7","P -1","-P 1","2","","2007slh0906/187","","- C28 H28 N4 Ni O4 P2 S5 -","- C28 H28 N4 Ni O4 P2 S5 -","- C56 H56 N8 Ni2 O8 P4 S10 -","2","1","","Aragoni, M. Carla; Arca, Massimiliano; Coles, Simon J.; Crespo Alonso, Miriam; Coles (née Huth), Susanne L.; Davies, Robert P.; Hursthouse, Michael B.; Isaia, Francesco; Lai, Romina; Lippolis, Vito","Coordination polymers and polygons using di-pyridyl-thiadiazole spacers and substituted phosphorodithioato NiIIcomplexes: potential and limitations for inorganic crystal engineering","CrystEngComm","2016","18","30","5620","","10.1039/C6CE00991C","","","0.71073","MoKα","","0.0474","0.0361","","","0.0798","0.085","","","","","","1.038","","","","has coordinates,has disorder","185178","2020-10-21","18:00:00",""
"7225449","26.52841","0.00017","25.85346","0.00016","7.00906","0.00005","90","","90","","90","","4807.17","0.05","173","2","173","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C50 H44 N4 Ni P2 S5 -","- C50.014 H44.016 N4 Ni P2 S5 -","- C200.056 H176.064 N16 Ni4 P8 S20 -","4","0.5","","Aragoni, M. Carla; Arca, Massimiliano; Coles, Simon J.; Crespo Alonso, Miriam; Coles (née Huth), Susanne L.; Davies, Robert P.; Hursthouse, Michael B.; Isaia, Francesco; Lai, Romina; Lippolis, Vito","Coordination polymers and polygons using di-pyridyl-thiadiazole spacers and substituted phosphorodithioato NiIIcomplexes: potential and limitations for inorganic crystal engineering","CrystEngComm","2016","18","30","5620","","10.1039/C6CE00991C","","","1.54184","CuKα","","0.0886","0.0861","","","0.2236","0.2246","","","","","","1.211","","","","has coordinates,has disorder","185178","2020-10-21","18:00:00",""
"7225450","14.0311","0.0013","14.9236","0.0013","12.846","0.0005","90","","113.786","0.005","90","","2461.4","0.3","120","2","120","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C16 H20 N4 Ni O4 P2 S5 -","- C16 H20 N4 Ni O4 P2 S5 -","- C64 H80 N16 Ni4 O16 P8 S20 -","4","1","","Aragoni, M. Carla; Arca, Massimiliano; Coles, Simon J.; Crespo Alonso, Miriam; Coles (née Huth), Susanne L.; Davies, Robert P.; Hursthouse, Michael B.; Isaia, Francesco; Lai, Romina; Lippolis, Vito","Coordination polymers and polygons using di-pyridyl-thiadiazole spacers and substituted phosphorodithioato NiIIcomplexes: potential and limitations for inorganic crystal engineering","CrystEngComm","2016","18","30","5620","","10.1039/C6CE00991C","","","0.71073","MoKα","","0.0739","0.0641","","","0.1917","0.1964","","","","","","1.161","","","","has coordinates,has disorder","185178","2020-10-21","18:00:00",""
"7225451","8.3025","0.0003","13.6899","0.0006","15.9951","0.0007","90.908","0.003","99.985","0.003","104.369","0.003","1731.16","0.13","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C32 H51 N5 O4 -","- C32 H51 N5 O4 -","- C64 H102 N10 O8 -","2","1","","Tarai, Arup; Baruah, Jubaraj B.","Anion assisted conformationally guided self-assemblies of multi-component cocrystals of dioxime","CrystEngComm","2016","18","29","5482","","10.1039/C6CE01157H","","","0.71073","MoKα","","0.1527","0.0839","","","0.1765","0.2225","","","","","","1.098","","","","has coordinates","185260","2020-10-21","18:00:00",""
"7225452","20.7631","0.0008","8.2356","0.0003","21.9337","0.0008","90","","107.378","0.002","90","","3579.4","0.2","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C32 H52 F N5 O4 -","- C32 H52 F N5 O4 -","- C128 H208 F4 N20 O16 -","4","1","","Tarai, Arup; Baruah, Jubaraj B.","Anion assisted conformationally guided self-assemblies of multi-component cocrystals of dioxime","CrystEngComm","2016","18","29","5482","","10.1039/C6CE01157H","","","0.71073","MoKα","","0.1286","0.0707","","","0.1388","0.1613","","","","","","1.056","","","","has coordinates","185260","2020-10-21","18:00:00",""
"7225453","19.3315","0.0009","8.5518","0.0004","22.8978","0.001","90","","95.077","0.003","90","","3770.6","0.3","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C32 H54 Cl N5 O5 -","- C32 H54 Cl N5 O5 -","- C128 H216 Cl4 N20 O20 -","4","1","","Tarai, Arup; Baruah, Jubaraj B.","Anion assisted conformationally guided self-assemblies of multi-component cocrystals of dioxime","CrystEngComm","2016","18","29","5482","","10.1039/C6CE01157H","","","0.71073","MoKα","","0.2428","0.0688","","","0.1234","0.1632","","","","","","1.076","","","","has coordinates","185260","2020-10-21","18:00:00",""
"7225454","9.7527","0.001","13.1156","0.0014","13.1419","0.0014","96.951","0.001","107.563","0.001","98.293","0.001","1561.6","0.3","296","2","296.15","","","","","","","","","7","P -1","-P 1","2","","","","- C24 H24 Cl3 Cu3 Dy N3 O9 -","- C24 H24 Cl3 Cu3 Dy N3 O9 -","- C48 H48 Cl6 Cu6 Dy2 N6 O18 -","2","1","","Dong, Ruo-Ting; Chen, Xin-Li; Cui, Xiao; Chen, Su-Su; Shen, Mo-Yuan; Li, Chu-Wen; Li, Qian-Hong; Hu, Ming-Yuan; Huang, Lan-Fen; Deng, Hong","Copper(i)‒lanthanide(iii) heterometallic metal‒organic frameworks constructed from 3-(3-pyridyl)acrylic acid: syntheses, structures, and properties","CrystEngComm","2016","18","29","5547","","10.1039/C6CE00637J","","","0.71073","MoKα","","0.0387","0.0336","","","0.0804","0.0835","","","","","","1.047","","","","has coordinates,has disorder","185261","2020-10-21","18:00:00",""
"7225455","9.7558","0.0013","13.1043","0.0017","13.1554","0.0017","97.247","0.002","98.245","0.002","107.215","0.002","1564.4","0.4","296","2","296.15","","","","","","","","","7","P -1","-P 1","2","","","","- C24 H24 Cl3 Cu3 Eu N3 O9 -","- C24 H22 Cl3 Cu3 Eu N3 O9 -","- C48 H44 Cl6 Cu6 Eu2 N6 O18 -","2","1","","Dong, Ruo-Ting; Chen, Xin-Li; Cui, Xiao; Chen, Su-Su; Shen, Mo-Yuan; Li, Chu-Wen; Li, Qian-Hong; Hu, Ming-Yuan; Huang, Lan-Fen; Deng, Hong","Copper(i)‒lanthanide(iii) heterometallic metal‒organic frameworks constructed from 3-(3-pyridyl)acrylic acid: syntheses, structures, and properties","CrystEngComm","2016","18","29","5547","","10.1039/C6CE00637J","","","0.71073","MoKα","","0.0617","0.049","","","0.1195","0.1285","","","","","","1.04","","","","has coordinates,has disorder","185261","2020-10-21","18:00:00",""
"7225456","9.75","0.002","13.103","0.003","13.133","0.003","97.405","0.003","98.215","0.003","107.29","0.003","1559.3","0.6","296","2","296.15","","","","","","","","","7","P -1","-P 1","2","","","","- C24 H24 Cl3 Cu3 Gd N3 O9 -","- C24 H22 Cl3 Cu3 Gd N3 O9 -","- C48 H44 Cl6 Cu6 Gd2 N6 O18 -","2","1","","Dong, Ruo-Ting; Chen, Xin-Li; Cui, Xiao; Chen, Su-Su; Shen, Mo-Yuan; Li, Chu-Wen; Li, Qian-Hong; Hu, Ming-Yuan; Huang, Lan-Fen; Deng, Hong","Copper(i)‒lanthanide(iii) heterometallic metal‒organic frameworks constructed from 3-(3-pyridyl)acrylic acid: syntheses, structures, and properties","CrystEngComm","2016","18","29","5547","","10.1039/C6CE00637J","","","0.71073","MoKα","","0.0683","0.0561","","","0.1447","0.1547","","","","","","1.084","","","","has coordinates","185261","2020-10-21","18:00:00",""
"7225457","9.7468","0.0013","13.1256","0.0017","13.1381","0.0017","97.029","0.002","98.26","0.002","107.433","0.002","1562.4","0.4","296","2","296.15","","","","","","","","","7","P -1","-P 1","2","","","","- C24 H24 Cl3 Cu3 N3 O9 Tb -","- C24 H22 Cl3 Cu3 N3 O9 Tb -","- C48 H44 Cl6 Cu6 N6 O18 Tb2 -","2","1","","Dong, Ruo-Ting; Chen, Xin-Li; Cui, Xiao; Chen, Su-Su; Shen, Mo-Yuan; Li, Chu-Wen; Li, Qian-Hong; Hu, Ming-Yuan; Huang, Lan-Fen; Deng, Hong","Copper(i)‒lanthanide(iii) heterometallic metal‒organic frameworks constructed from 3-(3-pyridyl)acrylic acid: syntheses, structures, and properties","CrystEngComm","2016","18","29","5547","","10.1039/C6CE00637J","","","0.71073","MoKα","","0.0512","0.0453","","","0.1154","0.12","","","","","","1.067","","","","has coordinates,has disorder","185261","2020-10-21","18:00:00",""
"7225458","22.007","0.003","9.3047","0.0012","29.38","0.005","90","","110.486","0.001","90","","5635.6","1.4","296","2","296.15","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C48 H46 Cu2 Dy2 I2 N6 O17 -","- C48 H46 Cu2 Dy2 I2 N6 O17 -","- C192 H184 Cu8 Dy8 I8 N24 O68 -","4","0.5","","Dong, Ruo-Ting; Chen, Xin-Li; Cui, Xiao; Chen, Su-Su; Shen, Mo-Yuan; Li, Chu-Wen; Li, Qian-Hong; Hu, Ming-Yuan; Huang, Lan-Fen; Deng, Hong","Copper(i)‒lanthanide(iii) heterometallic metal‒organic frameworks constructed from 3-(3-pyridyl)acrylic acid: syntheses, structures, and properties","CrystEngComm","2016","18","29","5547","","10.1039/C6CE00637J","","","0.71073","MoKα","","0.041","0.0321","","","0.0792","0.0836","","","","","","1.036","","","","has coordinates,has disorder","185261","2020-10-21","18:00:00",""
"7225459","21.998","0.002","9.2967","0.0009","29.381","0.004","90","","110.425","0.001","90","","5630.9","1.1","296","2","296.15","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C48 H46 Cu2 Gd2 I2 N6 O17 -","- C48 H44 Cu2 Gd2 I2 N6 O17 -","- C192 H176 Cu8 Gd8 I8 N24 O68 -","4","0.5","","Dong, Ruo-Ting; Chen, Xin-Li; Cui, Xiao; Chen, Su-Su; Shen, Mo-Yuan; Li, Chu-Wen; Li, Qian-Hong; Hu, Ming-Yuan; Huang, Lan-Fen; Deng, Hong","Copper(i)‒lanthanide(iii) heterometallic metal‒organic frameworks constructed from 3-(3-pyridyl)acrylic acid: syntheses, structures, and properties","CrystEngComm","2016","18","29","5547","","10.1039/C6CE00637J","","","0.71073","MoKα","","0.033","0.0273","","","0.0639","0.0669","","","","","","1.015","","","","has coordinates","185261","2020-10-21","18:00:00",""
"7225460","22.069","0.004","9.2855","0.0015","29.444","0.005","90","","110.419","0.002","90","","5654.6","1.7","296","2","296.15","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C48 H46 Cu2 I2 N6 O17 Sm2 -","- C48 H46 Cu2 I2 N6 O17 Sm2 -","- C192 H184 Cu8 I8 N24 O68 Sm8 -","4","0.5","","Dong, Ruo-Ting; Chen, Xin-Li; Cui, Xiao; Chen, Su-Su; Shen, Mo-Yuan; Li, Chu-Wen; Li, Qian-Hong; Hu, Ming-Yuan; Huang, Lan-Fen; Deng, Hong","Copper(i)‒lanthanide(iii) heterometallic metal‒organic frameworks constructed from 3-(3-pyridyl)acrylic acid: syntheses, structures, and properties","CrystEngComm","2016","18","29","5547","","10.1039/C6CE00637J","","","0.71073","MoKα","","0.0462","0.0316","","","0.0591","0.0639","","","","","","1.026","","","","has coordinates,has disorder","185261","2020-10-21","18:00:00",""
"7225461","21.9956","0.0015","9.2876","0.0006","29.387","0.003","90","","110.514","0.001","90","","5622.7","0.8","296","2","296.15","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C48 H46 Cu2 I2 N6 O17 Tb2 -","- C48 H46 Cu2 I2 N6 O17 Tb2 -","- C192 H184 Cu8 I8 N24 O68 Tb8 -","4","0.5","","Dong, Ruo-Ting; Chen, Xin-Li; Cui, Xiao; Chen, Su-Su; Shen, Mo-Yuan; Li, Chu-Wen; Li, Qian-Hong; Hu, Ming-Yuan; Huang, Lan-Fen; Deng, Hong","Copper(i)‒lanthanide(iii) heterometallic metal‒organic frameworks constructed from 3-(3-pyridyl)acrylic acid: syntheses, structures, and properties","CrystEngComm","2016","18","29","5547","","10.1039/C6CE00637J","","","0.71073","MoKα","","0.053","0.0331","","","0.0586","0.0653","","","","","","0.994","","","","has coordinates,has disorder","185261","2020-10-21","18:00:00",""
"7225462","22.078","0.002","9.3534","0.0009","28.855","0.004","90","","109.788","0.001","90","","5606.8","1.1","296","2","296.15","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C24 H24 Br Cu Eu N3 O9 -","- C24 H22 Br Cu Eu N3 O9 -","- C192 H176 Br8 Cu8 Eu8 N24 O72 -","8","1","","Dong, Ruo-Ting; Chen, Xin-Li; Cui, Xiao; Chen, Su-Su; Shen, Mo-Yuan; Li, Chu-Wen; Li, Qian-Hong; Hu, Ming-Yuan; Huang, Lan-Fen; Deng, Hong","Copper(i)‒lanthanide(iii) heterometallic metal‒organic frameworks constructed from 3-(3-pyridyl)acrylic acid: syntheses, structures, and properties","CrystEngComm","2016","18","29","5547","","10.1039/C6CE00637J","","","0.71073","MoKα","","0.0756","0.0476","","","0.1004","0.1144","","","","","","1.032","","","","has coordinates,has disorder","185261","2020-10-21","18:00:00",""
"7225463","22.315","0.004","9.4268","0.0017","29.048","0.005","90","","110.025","0.002","90","","5741.1","1.8","296","2","296.15","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C24 H24 Br Cu La N3 O9 -","- C24 H22 Br Cu La N3 O9 -","- C192 H176 Br8 Cu8 La8 N24 O72 -","8","1","","Dong, Ruo-Ting; Chen, Xin-Li; Cui, Xiao; Chen, Su-Su; Shen, Mo-Yuan; Li, Chu-Wen; Li, Qian-Hong; Hu, Ming-Yuan; Huang, Lan-Fen; Deng, Hong","Copper(i)‒lanthanide(iii) heterometallic metal‒organic frameworks constructed from 3-(3-pyridyl)acrylic acid: syntheses, structures, and properties","CrystEngComm","2016","18","29","5547","","10.1039/C6CE00637J","","","0.71073","MoKα","","0.0854","0.0483","","","0.0999","0.1165","","","","","","1.026","","","","has coordinates,has disorder","185261","2020-10-21","18:00:00",""
"7225464","22.175","0.004","9.3814","0.0017","28.994","0.005","90","","110.156","0.002","90","","5662.3","1.7","296","2","296.15","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C48 H46 Br2 Cu2 N6 Nd2 O17 -","- C48 H44 Br2 Cu2 N6 Nd2 O17 -","- C192 H176 Br8 Cu8 N24 Nd8 O68 -","4","0.5","","Dong, Ruo-Ting; Chen, Xin-Li; Cui, Xiao; Chen, Su-Su; Shen, Mo-Yuan; Li, Chu-Wen; Li, Qian-Hong; Hu, Ming-Yuan; Huang, Lan-Fen; Deng, Hong","Copper(i)‒lanthanide(iii) heterometallic metal‒organic frameworks constructed from 3-(3-pyridyl)acrylic acid: syntheses, structures, and properties","CrystEngComm","2016","18","29","5547","","10.1039/C6CE00637J","","","0.71073","MoKα","","0.0618","0.0409","","","0.0929","0.1025","","","","","","1.028","","","","has coordinates","185261","2020-10-21","18:00:00",""
"7225465","22.121","0.003","9.3741","0.0009","28.944","0.003","90","","110.003","0.002","90","","5639.9","1.1","296","2","296.15","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C48 H46 Br2 Cu2 N6 O17 Sm2 -","- C48 H44 Br2 Cu2 N6 O17 Sm2 -","- C192 H176 Br8 Cu8 N24 O68 Sm8 -","4","0.5","","Dong, Ruo-Ting; Chen, Xin-Li; Cui, Xiao; Chen, Su-Su; Shen, Mo-Yuan; Li, Chu-Wen; Li, Qian-Hong; Hu, Ming-Yuan; Huang, Lan-Fen; Deng, Hong","Copper(i)‒lanthanide(iii) heterometallic metal‒organic frameworks constructed from 3-(3-pyridyl)acrylic acid: syntheses, structures, and properties","CrystEngComm","2016","18","29","5547","","10.1039/C6CE00637J","","","0.71073","MoKα","","0.0421","0.0328","","","0.0748","0.0789","","","","","","1.033","","","","has coordinates","185261","2020-10-21","18:00:00",""
"7225466","8.1814","0.0011","8.2858","0.0011","18.974","0.003","86.452","0.003","84.078","0.002","79.676","0.002","1257.4","0.3","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C17 H20 Cu2 Eu I2 N2 O10 -","- C17 H20 Cu2 Eu I2 N2 O10 -","- C34 H40 Cu4 Eu2 I4 N4 O20 -","2","1","","Dong, Ruo-Ting; Chen, Xin-Li; Cui, Xiao; Chen, Su-Su; Shen, Mo-Yuan; Li, Chu-Wen; Li, Qian-Hong; Hu, Ming-Yuan; Huang, Lan-Fen; Deng, Hong","Copper(i)‒lanthanide(iii) heterometallic metal‒organic frameworks constructed from 3-(3-pyridyl)acrylic acid: syntheses, structures, and properties","CrystEngComm","2016","18","29","5547","","10.1039/C6CE00637J","","","0.71073","MoKα","","0.0617","0.0451","","","0.1008","0.1207","","","","","","1.069","","","","has coordinates","185261","2020-10-21","18:00:00",""
"7225467","8.161","0.003","8.25","0.003","18.961","0.006","86.444","0.007","83.969","0.006","79.622","0.006","1247.6","0.8","296","2","296.15","","","","","","","","","7","P -1","-P 1","2","","","","- C17 H20 Cu2 Gd I2 N2 O10 -","- C17 H20 Cu2 Gd I2 N2 O10 -","- C34 H40 Cu4 Gd2 I4 N4 O20 -","2","1","","Dong, Ruo-Ting; Chen, Xin-Li; Cui, Xiao; Chen, Su-Su; Shen, Mo-Yuan; Li, Chu-Wen; Li, Qian-Hong; Hu, Ming-Yuan; Huang, Lan-Fen; Deng, Hong","Copper(i)‒lanthanide(iii) heterometallic metal‒organic frameworks constructed from 3-(3-pyridyl)acrylic acid: syntheses, structures, and properties","CrystEngComm","2016","18","29","5547","","10.1039/C6CE00637J","","","0.71073","MoKα","","0.0958","0.0661","","","0.1541","0.1739","","","","","","0.954","","","","has coordinates","185261","2020-10-21","18:00:00",""
"7225468","8.2377","0.0017","8.366","0.0017","18.956","0.004","86.42","0.004","84.477","0.004","79.549","0.003","1277.4","0.5","296","2","296.15","","","","","","","","","7","P -1","-P 1","2","","","","- C17 H20 Cu2 I2 N2 Nd O10 -","- C17 H20 Cu2 I2 N2 Nd O10 -","- C34 H40 Cu4 I4 N4 Nd2 O20 -","2","1","","Dong, Ruo-Ting; Chen, Xin-Li; Cui, Xiao; Chen, Su-Su; Shen, Mo-Yuan; Li, Chu-Wen; Li, Qian-Hong; Hu, Ming-Yuan; Huang, Lan-Fen; Deng, Hong","Copper(i)‒lanthanide(iii) heterometallic metal‒organic frameworks constructed from 3-(3-pyridyl)acrylic acid: syntheses, structures, and properties","CrystEngComm","2016","18","29","5547","","10.1039/C6CE00637J","","","0.71073","MoKα","","0.0847","0.0621","","","0.1353","0.1451","","","","","","0.914","","","","has coordinates","185261","2020-10-21","18:00:00",""
"7225469","7.439","0.0017","7.797","0.002","21.617","0.005","86.532","0.004","87.711","0.004","65.178","0.004","1135.8","0.5","296","2","296.15","","","","","","","","","7","P -1","-P 1","2","","","","- C17 H16 Br2 Cu2 Gd N2 O8 -","- C17 H16 Br2 Cu2 Gd N2 O8 -","- C34 H32 Br4 Cu4 Gd2 N4 O16 -","2","1","","Dong, Ruo-Ting; Chen, Xin-Li; Cui, Xiao; Chen, Su-Su; Shen, Mo-Yuan; Li, Chu-Wen; Li, Qian-Hong; Hu, Ming-Yuan; Huang, Lan-Fen; Deng, Hong","Copper(i)‒lanthanide(iii) heterometallic metal‒organic frameworks constructed from 3-(3-pyridyl)acrylic acid: syntheses, structures, and properties","CrystEngComm","2016","18","29","5547","","10.1039/C6CE00637J","","","0.71073","MoKα","","0.1085","0.0667","","","0.1423","0.1738","","","","","","1.003","","","","has coordinates,has disorder","185261","2020-10-21","18:00:00",""
"7225470","7.4069","0.0015","7.7788","0.0015","21.614","0.004","86.456","0.003","87.677","0.004","65.171","0.003","1127.9","0.4","296","2","296.15","","","","","","","","","7","P -1","-P 1","2","","","","- C17 H16 Br2 Cu2 N2 O8 Tb -","- C17 H14 Br2 Cu2 N2 O8 Tb -","- C34 H28 Br4 Cu4 N4 O16 Tb2 -","2","1","","Dong, Ruo-Ting; Chen, Xin-Li; Cui, Xiao; Chen, Su-Su; Shen, Mo-Yuan; Li, Chu-Wen; Li, Qian-Hong; Hu, Ming-Yuan; Huang, Lan-Fen; Deng, Hong","Copper(i)‒lanthanide(iii) heterometallic metal‒organic frameworks constructed from 3-(3-pyridyl)acrylic acid: syntheses, structures, and properties","CrystEngComm","2016","18","29","5547","","10.1039/C6CE00637J","","","0.71073","MoKα","","0.0939","0.0585","","","0.12","0.1387","","","","","","0.946","","","","has coordinates,has disorder","185261","2020-10-21","18:00:00",""
"7225471","12.9013","0.0006","7.3232","0.0003","15.7261","0.0007","90","","113.248","0.005","90","","1365.14","0.12","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","5a","3-(4-phenyl-1H-1,2,3-triazol-1-yl)-2H-chromen-2-one","","- C17 H11 N3 O2 -","- C17 H11 N3 O2 -","- C68 H44 N12 O8 -","4","1","","de la Cerda-Pedro, J. E.; Arcos-Ramos, R.; Maldonado-Domínguez, M.; Rojas-Lima, S.; Romero-Ávila, M.; Carreón-Castro, M. P.; Santillan, R.; Farfán, N.; López-Ruiz, H.","Engineering organic semiconducting solids. Multicomponent access to crystalline 3-(4-aryl-1,2,3-triazolyl)coumarins","CrystEngComm","2016","18","29","5562","","10.1039/C6CE01041E","","","1.54184","CuKα","","0.054","0.0456","","","0.1215","0.131","","","","","","1.069","","","","has coordinates","185262","2020-10-21","18:00:00",""
"7225472","14.0621","0.0005","6.4884","0.0003","17.373","0.0007","90","","111.527","0.004","90","","1474.55","0.11","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","5b","6-methoxy-3-(4-phenyl-1H-1,2,3-triazol-1-yl)-2H-chromen-2-one","","- C18 H13 N3 O3 -","- C18 H13 N3 O3 -","- C72 H52 N12 O12 -","4","1","","de la Cerda-Pedro, J. E.; Arcos-Ramos, R.; Maldonado-Domínguez, M.; Rojas-Lima, S.; Romero-Ávila, M.; Carreón-Castro, M. P.; Santillan, R.; Farfán, N.; López-Ruiz, H.","Engineering organic semiconducting solids. Multicomponent access to crystalline 3-(4-aryl-1,2,3-triazolyl)coumarins","CrystEngComm","2016","18","29","5562","","10.1039/C6CE01041E","","","1.54184","CuKα","","0.0479","0.0382","","","0.0987","0.1076","","","","","","1.04","","","","has coordinates","185262","2020-10-21","18:00:00",""
"7225473","5.17677","0.00017","9.5698","0.0003","30.6216","0.0009","90","","92.127","0.003","90","","1515.97","0.08","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","5c","7-methoxy-3-(4-phenyl-1,2,3-triazol-1-yl)-chromen-2-one","","- C18 H13 N3 O3 -","- C18 H13 N3 O3 -","- C72 H52 N12 O12 -","4","1","","de la Cerda-Pedro, J. E.; Arcos-Ramos, R.; Maldonado-Domínguez, M.; Rojas-Lima, S.; Romero-Ávila, M.; Carreón-Castro, M. P.; Santillan, R.; Farfán, N.; López-Ruiz, H.","Engineering organic semiconducting solids. Multicomponent access to crystalline 3-(4-aryl-1,2,3-triazolyl)coumarins","CrystEngComm","2016","18","29","5562","","10.1039/C6CE01041E","","","1.54184","CuKα","","0.0689","0.0456","","","0.1057","0.1224","","","","","","1.037","","","","has coordinates","185262","2020-10-21","18:00:00",""
"7225474","11.7803","0.0004","19.8443","0.0006","7.6437","0.0002","90","","98.403","0.003","90","","1767.7","0.09","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","5f","7-(diethylamino)-3-(4-phenyl-1H-1,2,3-triazol-1-yl)-2H-chromen-2-one","","- C21 H20 N4 O2 -","- C21 H20 N4 O2 -","- C84 H80 N16 O8 -","4","1","","de la Cerda-Pedro, J. E.; Arcos-Ramos, R.; Maldonado-Domínguez, M.; Rojas-Lima, S.; Romero-Ávila, M.; Carreón-Castro, M. P.; Santillan, R.; Farfán, N.; López-Ruiz, H.","Engineering organic semiconducting solids. Multicomponent access to crystalline 3-(4-aryl-1,2,3-triazolyl)coumarins","CrystEngComm","2016","18","29","5562","","10.1039/C6CE01041E","","","1.54184","CuKα","","0.0612","0.0467","","","0.1259","0.141","","","","","","1.022","","","","has coordinates","185262","2020-10-21","18:00:00",""
"7225475","5.8032","0.0003","7.5652","0.0004","15.7517","0.0007","79.805","0.004","89.756","0.004","84.314","0.004","677.21","0.06","293","2","293","2","","","","","","","","5","P -1","-P 1","2","5h","3-(4-(4-fluorophenyl)-1H-1,2,3-triazol-1-yl)-2H-chromen-2-one","","- C17 H10 F N3 O2 -","- C17 H10 F N3 O2 -","- C34 H20 F2 N6 O4 -","2","1","","de la Cerda-Pedro, J. E.; Arcos-Ramos, R.; Maldonado-Domínguez, M.; Rojas-Lima, S.; Romero-Ávila, M.; Carreón-Castro, M. P.; Santillan, R.; Farfán, N.; López-Ruiz, H.","Engineering organic semiconducting solids. Multicomponent access to crystalline 3-(4-aryl-1,2,3-triazolyl)coumarins","CrystEngComm","2016","18","29","5562","","10.1039/C6CE01041E","","","1.54184","CuKα","","0.0591","0.0501","","","0.1349","0.1492","","","","","","1.047","","","","has coordinates","185262","2020-10-21","18:00:00",""
"7225476","5.8823","0.0004","7.5418","0.0004","18.0542","0.0008","78.784","0.004","83.537","0.004","83.826","0.005","777.63","0.08","293","2","293","2","","","","","","","","5","P -1","-P 1","2","5j","3-(4-(4-chlorophenyl)-1H-1,2,3-triazol-1-yl)-6-methoxy-2H-chromen-2-one","","- C18 H12 Cl N3 O3 -","- C18 H12 Cl N3 O3 -","- C36 H24 Cl2 N6 O6 -","2","1","","de la Cerda-Pedro, J. E.; Arcos-Ramos, R.; Maldonado-Domínguez, M.; Rojas-Lima, S.; Romero-Ávila, M.; Carreón-Castro, M. P.; Santillan, R.; Farfán, N.; López-Ruiz, H.","Engineering organic semiconducting solids. Multicomponent access to crystalline 3-(4-aryl-1,2,3-triazolyl)coumarins","CrystEngComm","2016","18","29","5562","","10.1039/C6CE01041E","","","1.54184","CuKα","","0.048","0.0401","","","0.1097","0.1187","","","","","","1.0481","","","","has coordinates","185262","2020-10-21","18:00:00",""
"7225477","7.2786","0.0003","5.9228","0.0003","36.7067","0.0016","90","","90.466","0.005","90","","1582.36","0.12","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","5k","7-methoxy-3-(4-(4-methoxyphenyl)-1H-1,2,3-triazol-1-yl)-2H-chromen-2-one","","- C19 H15 N3 O4 -","- C19 H15 N3 O4 -","- C76 H60 N12 O16 -","4","1","","de la Cerda-Pedro, J. E.; Arcos-Ramos, R.; Maldonado-Domínguez, M.; Rojas-Lima, S.; Romero-Ávila, M.; Carreón-Castro, M. P.; Santillan, R.; Farfán, N.; López-Ruiz, H.","Engineering organic semiconducting solids. Multicomponent access to crystalline 3-(4-aryl-1,2,3-triazolyl)coumarins","CrystEngComm","2016","18","29","5562","","10.1039/C6CE01041E","","","1.54184","CuKα","","0.0566","0.0424","","","0.1079","0.1178","","","","","","1.057","","","","has coordinates","185262","2020-10-21","18:00:00",""
"7225478","7.3822","0.0002","7.6039","0.0003","23.245","0.0008","90","","90","","90","","1304.82","0.08","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","5l","3-(4-(pyridin-2-yl)-1H-1,2,3-triazol-1-yl)-2H-chromen-2-one","","- C16 H10 N4 O2 -","- C16 H10 N4 O2 -","- C64 H40 N16 O8 -","4","1","","de la Cerda-Pedro, J. E.; Arcos-Ramos, R.; Maldonado-Domínguez, M.; Rojas-Lima, S.; Romero-Ávila, M.; Carreón-Castro, M. P.; Santillan, R.; Farfán, N.; López-Ruiz, H.","Engineering organic semiconducting solids. Multicomponent access to crystalline 3-(4-aryl-1,2,3-triazolyl)coumarins","CrystEngComm","2016","18","29","5562","","10.1039/C6CE01041E","","","1.54184","CuKα","","0.0653","0.05","","","0.1256","0.1371","","","","","","1.079","","","","has coordinates","185262","2020-10-21","18:00:00",""
"7225479","33.02","0.05","13.317","0.019","14.22","0.02","90","","101.739","0.015","90","","6122","15","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C21 H15 Eu O8 -","- C21 H15 Eu O8 -","- C168 H120 Eu8 O64 -","8","1","","Wang, Haijun; Cheng, Fujun; Zou, Changchang; Li, Qianqian; Hua, Yinying; Duan, Jingui; Jin, Wanqin","Design and synthesis of luminescent porous coordination polymers for chromaticity modulation, sensing of nitrobenzene and iodine encapsulation","CrystEngComm","2016","18","30","5639","","10.1039/C6CE00960C","","","0.71073","MoKα","","0.0886","0.0651","","","0.1721","0.1891","","","","","","1.019","","","","has coordinates","185183","2020-10-21","18:00:00",""
"7225480","33.13","0.02","13.572","0.008","14.049","0.009","90","","101.324","0.007","90","","6194","7","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C21 H15 O8 Tb -","- C21 H15 O8 Tb -","- C168 H120 O64 Tb8 -","8","1","","Wang, Haijun; Cheng, Fujun; Zou, Changchang; Li, Qianqian; Hua, Yinying; Duan, Jingui; Jin, Wanqin","Design and synthesis of luminescent porous coordination polymers for chromaticity modulation, sensing of nitrobenzene and iodine encapsulation","CrystEngComm","2016","18","30","5639","","10.1039/C6CE00960C","","","0.71073","MoKα","","0.0496","0.0375","","","0.0807","0.0832","","","","","","1.035","","","","has coordinates","185183","2020-10-21","18:00:00",""
"7225481","33.69","0.03","12.97","0.011","14.771","0.012","90","","101.572","0.009","90","","6323","9","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C21 H15 La O8 -","- C21 H15 La O8 -","- C168 H120 La8 O64 -","8","1","","Wang, Haijun; Cheng, Fujun; Zou, Changchang; Li, Qianqian; Hua, Yinying; Duan, Jingui; Jin, Wanqin","Design and synthesis of luminescent porous coordination polymers for chromaticity modulation, sensing of nitrobenzene and iodine encapsulation","CrystEngComm","2016","18","30","5639","","10.1039/C6CE00960C","","","0.71073","MoKα","","0.0543","0.0406","","","0.0918","0.096","","","","","","1.03","","","","has coordinates","185183","2020-10-21","18:00:00",""
"7225482","42.142","0.015","14.065","0.005","13.87","0.005","90","","101.996","0.005","90","","8042","5","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C27 H19 Eu O8 -","- C27 H19 Eu O8 -","- C216 H152 Eu8 O64 -","8","1","","Wang, Haijun; Cheng, Fujun; Zou, Changchang; Li, Qianqian; Hua, Yinying; Duan, Jingui; Jin, Wanqin","Design and synthesis of luminescent porous coordination polymers for chromaticity modulation, sensing of nitrobenzene and iodine encapsulation","CrystEngComm","2016","18","30","5639","","10.1039/C6CE00960C","","","0.71073","MoKα","","0.1276","0.1014","","","0.2569","0.2824","","","","","","0.994","","","","has coordinates","185183","2020-10-21","18:00:00",""
"7225483","42.145","0.007","14.296","0.003","13.771","0.002","90","","101.683","0.002","90","","8125","2","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C27 H19 O8 Tb -","- C27 H19 O8 Tb -","- C216 H152 O64 Tb8 -","8","1","","Wang, Haijun; Cheng, Fujun; Zou, Changchang; Li, Qianqian; Hua, Yinying; Duan, Jingui; Jin, Wanqin","Design and synthesis of luminescent porous coordination polymers for chromaticity modulation, sensing of nitrobenzene and iodine encapsulation","CrystEngComm","2016","18","30","5639","","10.1039/C6CE00960C","","","0.71073","MoKα","","0.0633","0.0461","","","0.1238","0.1277","","","","","","1.035","","","","has coordinates","185183","2020-10-21","18:00:00",""
"7225484","13.9999","0.001","14.647","0.0011","42.04","0.003","90","","97.948","0.001","90","","8537.8","1.1","296","2","296","2","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","","","- C27 H19 La O8 -","- C27 H19 La O8 -","- C216 H152 La8 O64 -","8","1","","Wang, Haijun; Cheng, Fujun; Zou, Changchang; Li, Qianqian; Hua, Yinying; Duan, Jingui; Jin, Wanqin","Design and synthesis of luminescent porous coordination polymers for chromaticity modulation, sensing of nitrobenzene and iodine encapsulation","CrystEngComm","2016","18","30","5639","","10.1039/C6CE00960C","","","0.71073","MoKα","","0.0748","0.0521","","","0.1314","0.1363","","","","","","1.076","","","","has coordinates","185183","2020-10-21","18:00:00",""
"7225485","24.799","0.018","13.263","0.01","14.971","0.011","90","","96.635","0.008","90","","4891","6","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C15 H11 La O8 -","- C15 H11 La O8 -","- C120 H88 La8 O64 -","8","1","","Wang, Haijun; Cheng, Fujun; Zou, Changchang; Li, Qianqian; Hua, Yinying; Duan, Jingui; Jin, Wanqin","Design and synthesis of luminescent porous coordination polymers for chromaticity modulation, sensing of nitrobenzene and iodine encapsulation","CrystEngComm","2016","18","30","5639","","10.1039/C6CE00960C","","","0.71073","MoKα","","0.057","0.0448","","","0.1228","0.1331","","","","","","1.132","","","","has coordinates","185183","2020-10-21","18:00:00",""
"7225486","29.012","0.001","7.058","0.002","32.683","0.001","90","","105.991","0.003","90","","6433.4","1.8","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C66 H90 N6 O18 -","- C66 H90 N6 O18 -","- C264 H360 N24 O72 -","4","1","","Brancatelli, Giovanna; Geremia, Silvano; Gaeta, Carmine; Della Sala, Paolo; Talotta, Carmen; De Rosa, Margherita; Neri, Placido","Solid-state assembly of a resorcin[6]arene in twin molecular capsules","CrystEngComm","2016","18","26","5045","","10.1039/C6CE00802J","","","0.7","","","0.0772","0.076","","","0.2002","0.2008","","","","","","1.191","","","","has coordinates","185203","2020-10-21","18:00:00",""
"7225487","11.91","0.01","14.88","0.01","16.83","0.01","70.96","0.02","87.15","0.01","71.42","0.02","2668","3","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C57.5 H64 O15 -","- C57.5 H64 O15 -","- C115 H128 O30 -","2","1","","Brancatelli, Giovanna; Geremia, Silvano; Gaeta, Carmine; Della Sala, Paolo; Talotta, Carmen; De Rosa, Margherita; Neri, Placido","Solid-state assembly of a resorcin[6]arene in twin molecular capsules","CrystEngComm","2016","18","26","5045","","10.1039/C6CE00802J","","","0.7","","","0.1089","0.1056","","","0.268","0.2738","","","","","","1.096","","","","has coordinates,has disorder","185203","2020-10-21","18:00:00",""
"7225488","5.3288","0.0004","18.3034","0.0013","10.3561","0.0008","90","","94.819","0.007","90","","1006.51","0.13","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C9 H7 N5 O3 -","- C9 H7 N5 O3 -","- C36 H28 N20 O12 -","4","1","","Safin, Damir A.; Robeyns, Koen; Garcia, Yann","1,2,4-Triazole-based molecular switches: crystal structures, Hirshfeld surface analysis and optical properties","CrystEngComm","2016","18","38","7284","","10.1039/C6CE00749J","","","0.71073","MoKα","","0.1234","0.0696","","","0.1405","0.167","","","","","","0.999","","","","has coordinates","187036","2020-10-21","18:00:00",""
"7225489","5.8474","0.0012","21.04","0.004","7.5567","0.0018","90","","107.25","0.02","90","","887.9","0.3","298","2","298","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C9 H8 N4 O2 -","- C9 H8 N4 O2 -","- C36 H32 N16 O8 -","4","1","","Safin, Damir A.; Robeyns, Koen; Garcia, Yann","1,2,4-Triazole-based molecular switches: crystal structures, Hirshfeld surface analysis and optical properties","CrystEngComm","2016","18","38","7284","","10.1039/C6CE00749J","","","0.71073","MoKα","","0.1607","0.0848","","","0.1722","0.1998","","","","","","1.043","","","","has coordinates","187036","2020-10-21","18:00:00",""
"7225490","19.9241","0.0013","19.9241","0.0013","5.1153","0.0005","90","","90","","90","","2030.6","0.3","298","2","298","2","","","","","","","","4","P 42/n","-P 4bc","86","","","","- C10 H10 N4 O2 -","- C10 H10 N4 O2 -","- C80 H80 N32 O16 -","8","","","Safin, Damir A.; Robeyns, Koen; Garcia, Yann","1,2,4-Triazole-based molecular switches: crystal structures, Hirshfeld surface analysis and optical properties","CrystEngComm","2016","18","38","7284","","10.1039/C6CE00749J","","","0.71073","MoKα","","0.1008","0.0662","","","0.1117","0.1221","","","","","","1.115","","","","has coordinates","187036","2020-10-21","18:00:00",""
"7225491","3.7737","0.0014","14.259","0.005","8.993","0.003","90","","101.23","0.04","90","","474.6","0.3","150","2","150","2","","","","","","","","5","P 1 c 1","P -2yc","7","","","","- C9 H7 Cl N4 O -","- C9 H7 Cl N4 O -","- C18 H14 Cl2 N8 O2 -","2","1","","Safin, Damir A.; Robeyns, Koen; Garcia, Yann","1,2,4-Triazole-based molecular switches: crystal structures, Hirshfeld surface analysis and optical properties","CrystEngComm","2016","18","38","7284","","10.1039/C6CE00749J","","","0.71073","MoKα","","0.0831","0.0727","","","0.1938","0.2008","","","","","","1.144","","","","has coordinates","187036","2020-10-21","18:00:00",""
"7225492","13.4933","0.0016","10.4263","0.0013","7.2548","0.0013","90","","93.731","0.013","90","","1018.5","0.3","180","2","180","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C9 H7 Br N4 O -","- C9 H7 Br N4 O -","- C36 H28 Br4 N16 O4 -","4","1","","Safin, Damir A.; Robeyns, Koen; Garcia, Yann","1,2,4-Triazole-based molecular switches: crystal structures, Hirshfeld surface analysis and optical properties","CrystEngComm","2016","18","38","7284","","10.1039/C6CE00749J","","","0.71073","MoKα","","0.0704","0.0561","","","0.1464","0.1573","","","","","","1.091","","","","has coordinates","187036","2020-10-21","18:00:00",""
"7225493","11.7895","0.0005","11.7895","0.0005","17.6053","0.0008","90","","90","","120","","2119.17","0.16","298","2","298","2","","","","","","","","4","P 31","P 31","144","","","","- C9 H8 N4 O2 -","- C9 H8 N4 O2 -","- C81 H72 N36 O18 -","9","3","","Safin, Damir A.; Robeyns, Koen; Garcia, Yann","1,2,4-Triazole-based molecular switches: crystal structures, Hirshfeld surface analysis and optical properties","CrystEngComm","2016","18","38","7284","","10.1039/C6CE00749J","","","0.71073","MoKα","","0.0669","0.0455","","","0.101","0.1121","","","","","","1.005","","","","has coordinates","187036","2020-10-21","18:00:00",""
"7225494","8.7625","0.0006","5.8854","0.0004","11.0081","0.0012","90","","91.833","0.007","90","","567.41","0.08","295","2","295","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C13 H10 N4 O -","- C13 H10 N4 O -","- C26 H20 N8 O2 -","2","1","","Safin, Damir A.; Robeyns, Koen; Garcia, Yann","1,2,4-Triazole-based molecular switches: crystal structures, Hirshfeld surface analysis and optical properties","CrystEngComm","2016","18","38","7284","","10.1039/C6CE00749J","","","0.71073","MoKα","","0.0618","0.052","","","0.1436","0.1587","","","","","","1.082","","","","has coordinates","187036","2020-10-21","18:00:00",""
"7225495","13.2486","0.0015","7.0891","0.0009","13.5496","0.0018","90","","114.155","0.004","90","","1161.2","0.3","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C15 H11 N O -","- C15 H11 N O -","- C60 H44 N4 O4 -","4","1","","Shi, Qing; Li, Pinhua; Zhu, Xianjin; Wang, Lei","Decarboxylative/decarbonylative C3-acylation of indoles via photocatalysis: a simple and efficient route to 3-acylindoles","Green Chem.","2016","18","18","4916","","10.1039/C6GC00516K","","","0.71073","MoKα","","0.0744","0.0567","","","0.1437","0.1532","","","","","","1.101","","","","has coordinates","187153","2020-10-21","18:00:00",""
"7225496","7.3937","0.0005","12.4939","0.0013","19.6733","0.0016","90","","91.432","0.006","90","","1816.8","0.3","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C18 H22 Br2 Cu N2 O -","- C18 H22 Br2 Cu N2 O -","- C72 H88 Br8 Cu4 N8 O4 -","4","1","","KHAN, SAMIM; Jana, Subrata; Drew, Michael G. B.; Bauza, Antonio; Frontera, Antonio; Chattopadhyay, Shouvik","A novel method for copper(II) mediated region-selective bromination of aromatic ring under mild condition","RSC Adv.","2016","","","","","10.1039/C6RA13215D","","","0.71073","MoKα","","0.1198","0.0739","","","0.1779","0.196","","","","","","1.076","","","","has coordinates","183421","2020-10-21","18:00:00",""
"7225497","7.2154","0.0002","9.4198","0.0002","10.4296","0.0003","76.342","0.002","79.372","0.002","84.642","0.001","676.09","0.03","170","2","170","2","","","","","","","","5","P -1","-P 1","2","work","","","- C16 H12 N2 O S -","- C16 H12 N2 O S -","- C32 H24 N4 O2 S2 -","2","1","","Peng, Panfeng; Wang, Jiang; Li, chunpu; Zhu, Wei; Jiang, Hualiang; Liu, Hong","Cu(II)-Catalyzed C6-Selective C-H Thiolation of 2-Pyridones Using Air as the Oxidant","RSC Adv.","2016","","","","","10.1039/C6RA04388G","","","0.71073","MoKα","","0.0492","0.0403","","","0.1105","0.116","","","","","","1.038","","","","has coordinates","183422","2020-10-21","18:00:00",""
"7225498","27.108","0.008","10.673","0.002","16.641","0.005","90","","104.241","0.008","90","","4667","2","293","2","293.15","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C34 H37 Cd2 N12 O13.5 -","- C34 H37 Cd2 N12 O13.5 -","- C136 H148 Cd8 N48 O54 -","4","0.5","","Zhao, Shan; Lv, Xiu-Xiu; Shi, Lu-Lu; Li, Bao-Long; Wu, Bing","An unusual (4,4)-connected 3D porous cadmium metal‒organic framework as a luminescent sensor for detection of nitrobenzene","RSC Adv.","2016","6","61","56035","","10.1039/C6RA10664A","","","0.7107","MoKα","","0.1031","0.0857","","","0.1848","0.1943","","","","","","1.259","","","","has coordinates","183423","2020-10-21","18:00:00",""
"7225499","3.805","0.003","7.898","0.006","15.015","0.011","84.83","0.02","82.81","0.02","83.49","0.02","443.5","0.6","","","","","","","","","","","","4","P -1","-P 1","2","","","","- C3 H10 N10 O -","- C3 H10 N10 O -","- C6 H20 N20 O2 -","2","1","","chen, fuxue; Wang, Qi; Lu, Huijie; Pang, Fu-Qing; Huang, Jinglun; Nie, Fude","Nitrogen-rich hypergolic ionic salts based on (2-methyltetrazol-5-yl)diazotates","RSC Adv.","2016","","","","","10.1039/C6RA11494F","","","","","","0.086","","","","","","","","","","","","","","","has coordinates","183425","2020-10-21","18:00:00",""
"7225500","15.703","0.005","3.7767","0.0011","16.028","0.005","90","","100.331","0.005","90","","935.1","0.5","153","2","153","2","","","","","","","","4","P 1 2/c 1","-P 2yc","13","","","","- C3 H11 N11 O -","- C3 H11 N11 O -","- C12 H44 N44 O4 -","4","1","","chen, fuxue; Wang, Qi; Lu, Huijie; Pang, Fu-Qing; Huang, Jinglun; Nie, Fude","Nitrogen-rich hypergolic ionic salts based on (2-methyltetrazol-5-yl)diazotates","RSC Adv.","2016","","","","","10.1039/C6RA11494F","","","0.71073","MoKα","","0.0597","0.0414","","","0.1033","0.1157","","","","","","1.001","","","","has coordinates","198632","2020-10-21","18:00:00",""
"7225501","11.5613","0.0007","12.0502","0.0007","13.5247","0.0007","116.093","0.006","98.2","0.005","108.429","0.005","1515.1","0.2","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H31 F3 N4 O8 -","- C30 H31 F3 N4 O8 -","- C60 H62 F6 N8 O16 -","2","1","","Sosnovskikh, Vyacheslav; Korotaev, Vladislav; Kutyashev, Igor; Barkov, Alexey; Safrygin, Alexander","One-pot synthesis of functionalized benzo[c]coumarins and their precursors via the reaction of 2-(polyfluoroalkyl)chromones with 4-alkyl-3-cyanocoumarins","RSC Adv.","2016","","","","","10.1039/C6RA12492E","","","0.7107","MoKα","","0.0915","0.0557","","","0.1617","0.1903","","","","","","1.003","","","","has coordinates","183426","2020-10-21","18:00:00",""
"7225502","17.6138","0.0012","12.2004","0.0005","14.8315","0.0013","90","","113.227","0.009","90","","2928.9","0.4","295","2","295","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C29 H29 F3 N4 O8 -","- C29 H29 F3 N4 O8 -","- C116 H116 F12 N16 O32 -","4","1","","Sosnovskikh, Vyacheslav; Korotaev, Vladislav; Kutyashev, Igor; Barkov, Alexey; Safrygin, Alexander","One-pot synthesis of functionalized benzo[c]coumarins and their precursors via the reaction of 2-(polyfluoroalkyl)chromones with 4-alkyl-3-cyanocoumarins","RSC Adv.","2016","","","","","10.1039/C6RA12492E","","","0.7107","MoKα","","0.1625","0.0634","","","0.1367","0.1832","","","","","","0.996","","","","has coordinates,has disorder","183426","2020-10-21","18:00:00",""
"7225503","13.8312","0.0006","6.5653","0.0002","20.2552","0.0009","90","","96.187","0.004","90","","1828.58","0.13","295","2","295","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C21 H11 F3 N2 O6 -","- C21 H11 F3 N2 O6 -","- C84 H44 F12 N8 O24 -","4","1","","Sosnovskikh, Vyacheslav; Korotaev, Vladislav; Kutyashev, Igor; Barkov, Alexey; Safrygin, Alexander","One-pot synthesis of functionalized benzo[c]coumarins and their precursors via the reaction of 2-(polyfluoroalkyl)chromones with 4-alkyl-3-cyanocoumarins","RSC Adv.","2016","","","","","10.1039/C6RA12492E","","","0.7107","MoKα","","0.085","0.0459","","","0.1144","0.1372","","","","","","1.002","","","","has coordinates","183426","2020-10-21","18:00:00",""
"7225504","18.0863","0.0013","12.0796","0.0006","14.2137","0.0012","90","","112.926","0.01","90","","2860","0.4","295","2","295","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C27 H24 Br2 F3 N3 O6 -","- C27 H24 Br2 F3 N3 O6 -","- C108 H96 Br8 F12 N12 O24 -","4","1","","Sosnovskikh, Vyacheslav; Korotaev, Vladislav; Kutyashev, Igor; Barkov, Alexey; Safrygin, Alexander","One-pot synthesis of functionalized benzo[c]coumarins and their precursors via the reaction of 2-(polyfluoroalkyl)chromones with 4-alkyl-3-cyanocoumarins","RSC Adv.","2016","","","","","10.1039/C6RA12492E","","","0.7107","MoKα","","0.1054","0.0527","","","0.1335","0.1659","","","","","","1.007","","","","has coordinates","183426","2020-10-21","18:00:00",""
"7225505","10.5239","0.0005","11.2068","0.0006","20.678","0.001","104.099","0.004","96.924","0.004","99.452","0.004","2300.1","0.2","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","","","- C23 H14 F3 N3 O8 -","- C23 H14 F3 N3 O8 -","- C92 H56 F12 N12 O32 -","4","2","","Sosnovskikh, Vyacheslav; Korotaev, Vladislav; Kutyashev, Igor; Barkov, Alexey; Safrygin, Alexander","One-pot synthesis of functionalized benzo[c]coumarins and their precursors via the reaction of 2-(polyfluoroalkyl)chromones with 4-alkyl-3-cyanocoumarins","RSC Adv.","2016","","","","","10.1039/C6RA12492E","","","0.7107","MoKα","","0.1581","0.0617","","","0.1317","0.1799","","","","","","1.005","","","","has coordinates,has disorder","183426","2020-10-21","18:00:00",""
"7225506","10.139","0.002","12.05","0.002","12.659","0.003","118.34","0.03","110.25","0.03","91.62","0.03","1241.9","0.7","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C17 H29 Cl4 N3 Si2 Zr -","- C17 H29 Cl4 N3 Si2 Zr -","- C34 H58 Cl8 N6 Si4 Zr2 -","2","1","","Xiao, Xia; Hao, Xiaomin; Bai, Jianliang; Chao, Jianbin; Cao, Wei; Chen, Xia","Synthesis, mechanism and ethylene polymerization catalysis of Ge(IV), Sn(II) and Zr(IV) complexes derived from substituted β-diketiminates","RSC Adv.","2016","","","","","10.1039/C6RA11097E","","","0.71073","MoKα","","0.0674","0.0545","","","0.112","0.1181","","","","","","1.048","","","","has coordinates","183427","2020-10-21","18:00:00",""
"7225507","11.7137","0.0017","15.426","0.002","11.7657","0.0017","90","","91.121","0.002","90","","2125.6","0.5","183","2","183","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C13 H33 Cl N4 Si2 Sn -","- C13 H31 Cl N4 Si2 Sn -","- C52 H124 Cl4 N16 Si8 Sn4 -","4","1","","Xiao, Xia; Hao, Xiaomin; Bai, Jianliang; Chao, Jianbin; Cao, Wei; Chen, Xia","Synthesis, mechanism and ethylene polymerization catalysis of Ge(IV), Sn(II) and Zr(IV) complexes derived from substituted β-diketiminates","RSC Adv.","2016","","","","","10.1039/C6RA11097E","","","0.71073","MoKα","","0.0626","0.0517","","","0.1577","0.1745","","","","","","1.015","","","","has coordinates","183427","2020-10-21","18:00:00",""
"7225508","8.7293","0.0016","9.6018","0.0018","10.0436","0.0019","91.651","0.002","98.999","0.002","102.452","0.002","810.2","0.3","456","2","456","2","","","","","","","","5","P -1","-P 1","2","","","","- C7 H14 Cl5 Ge2 N4 -","- C7 H14 Cl5 Ge2 N4 -","- C14 H28 Cl10 Ge4 N8 -","2","1","","Xiao, Xia; Hao, Xiaomin; Bai, Jianliang; Chao, Jianbin; Cao, Wei; Chen, Xia","Synthesis, mechanism and ethylene polymerization catalysis of Ge(IV), Sn(II) and Zr(IV) complexes derived from substituted β-diketiminates","RSC Adv.","2016","","","","","10.1039/C6RA11097E","","","0.71073","MoKα","","0.041","0.0335","","","0.0808","0.0831","","","","","","1.015","","","","has coordinates","183427","2020-10-21","18:00:00",""
"7225509","5.1789","0.0003","9.8168","0.0004","22.5328","0.001","90","","93.543","0.002","90","","1143.38","0.1","110.15","","110.15","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C13 H9 Cl N4 -","- C13 H9 Cl N4 -","- C52 H36 Cl4 N16 -","4","1","","Harisha, Mysore Bhyrappa; Nagaraj, Muthupandi; Muthusubramanian, Shanmugam; Bhuvanesh, Nattamai","Base free regioselective synthesis of α-triazolylazine derivatives","RSC Adv.","2016","","","","","10.1039/C6RA10452E","","","1.54178","CuKα","","0.0356","0.0349","","","0.0863","0.0867","","","","","","1.096","","","","has coordinates","183448","2020-10-21","18:00:00",""
"7225510","27.89","0.04","5.933","0.009","14.48","0.02","90","","90","","90","","2396","6","110.15","","110.15","","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C13 H8 Cl F N4 -","- C13 H8 Cl F N4 -","- C104 H64 Cl8 F8 N32 -","8","2","","Harisha, Mysore Bhyrappa; Nagaraj, Muthupandi; Muthusubramanian, Shanmugam; Bhuvanesh, Nattamai","Base free regioselective synthesis of α-triazolylazine derivatives","RSC Adv.","2016","","","","","10.1039/C6RA10452E","","","0.71073","MoKα","","0.0364","0.0338","","","0.079","0.0806","","","","","","1.049","","","","has coordinates","183448","2020-10-21","18:00:00",""
"7225511","9.4901","0.0006","11.3584","0.0007","20.3272","0.0013","90","","90","","90","","2191.1","0.2","200","2","200","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(Z)-2-(2,3-Dimethylphenyl)-4-((1-(2,3-dimethylphenyl)-5-hydroxy-3-methyl-1H-pyrazol-4-yl)methylene)-5-methyl-2,4-dihydro-3H-pyrazol-3-one","","- C25 H26 N4 O2 -","- C25 H26 N4 O2 -","- C100 H104 N16 O8 -","4","1","","Kaliraj, Kaliappan; Xia, Likai; Edison, Thomas Nesakumar Jebakumar Immanuel; Lee, Yong Rok","Straightforward synthesis of diverse dipyrazolylmethane derivatives and their application for fluorescence sensing of Cu2+ions","RSC Adv.","2016","6","61","56323","","10.1039/C6RA10530K","","","0.71073","MoKα","","0.1162","0.043","","","0.0639","0.0837","","","","","","0.851","","","","has coordinates","183449","2020-10-21","18:00:00",""
"7225512","8.5032","0.0005","12.9483","0.0007","18.8575","0.0011","90","","98.797","0.003","90","","2051.8","0.2","573","2","573","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Benzimidazole Phthalamide compound","","- C23 H17 N5 O6 -","- C23 H17 N5 O6 -","- C92 H68 N20 O24 -","4","1","","Rahiman, Kalilur; Mahendiran, Dharmasivam; Gandhiraj, Vinitha; Shobana, Sugumar; Viswanathan, Vijayan; Devadasan, Velmurugan","Theoretical, photophysical and biological investigations of an organic charge transfer compound 2-aminobenzimidazolium-2-oxyisoindolate-1,3-dione-2-hydroxyisoindoline-1,3-dione","RSC Adv.","2016","","","","","10.1039/C6RA03574D","","","0.71073","MoKα","","0.0575","0.0396","","","0.1016","0.1113","","","","","","1.051","","","","has coordinates","183450","2020-10-21","18:00:00",""
"7225513","11.3423","0.0006","14.2822","0.0004","16.0589","0.0007","90","","107.98","0.005","90","","2474.4","0.2","291","2","291.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C32 H24 Fe N2 O -","- C32 H24 Fe N2 O -","- C128 H96 Fe4 N8 O4 -","4","1","","Qiao, Huijie; Sun, Suyan; Yang, Fan; Zhu, Yu; Zhu, Weiguo; Wu, Yusheng; Wu, Yangjie","Palladium-catalyzed direct C-H arylation of ferrocenecarboxamides with aryl halides","RSC Adv.","2016","","","","","10.1039/C6RA11972G","","","1.54184","CuKα","","0.0531","0.0401","","","0.0962","0.1034","","","","","","1.018","","","","has coordinates","183451","2020-10-21","18:00:00",""
"7225514","14.7314","0.0002","10.30632","0.00019","17.8542","0.0004","90","","95.605","0.0017","90","","2697.78","0.09","291","2","291.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C63 H58 Cl2 Fe2 N4 O2 -","- C63 H56 Cl2 Fe2 N4 O2 -","- C126 H112 Cl4 Fe4 N8 O4 -","2","0.5","","Qiao, Huijie; Sun, Suyan; Yang, Fan; Zhu, Yu; Zhu, Weiguo; Wu, Yusheng; Wu, Yangjie","Palladium-catalyzed direct C-H arylation of ferrocenecarboxamides with aryl halides","RSC Adv.","2016","","","","","10.1039/C6RA11972G","","","1.54184","CuKα","","0.0625","0.0497","","","0.1388","0.1497","","","","","","1.053","","","","has coordinates","183451","2020-10-21","18:00:00",""
"7225515","7.1387","0.0003","16.6302","0.0005","17.1016","0.0006","90","","100.004","0.004","90","","1999.4","0.13","148","80","148","80","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H17 B F4 O3 -","- C24 H16 B F4 O3 -","- C96 H64 B4 F16 O12 -","4","1","","Beltrán, Alicia; Burguete, M. Isabel; Luis, Santiago V.; Galindo, Francisco","Characterization of amine stabilized CdSe/ZnS core‒shell quantum dots by using triarylpyrylium dyes","RSC Adv.","2016","6","61","56064","","10.1039/C6RA09614J","","","1.54184","CuKα","","0.0521","0.0442","","","0.119","0.1275","","","","","","1.034","","","","has coordinates","183452","2020-10-21","18:00:00",""
"7225516","13.5265","0.0004","9.8137","0.0003","15.2162","0.0004","90","","95.234","0.003","90","","2011.45","0.1","298","","298","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C23 H16 B Br F4 O -","- C23 H16 B Br F4 O -","- C92 H64 B4 Br4 F16 O4 -","4","1","","Beltrán, Alicia; Burguete, M. Isabel; Luis, Santiago V.; Galindo, Francisco","Characterization of amine stabilized CdSe/ZnS core‒shell quantum dots by using triarylpyrylium dyes","RSC Adv.","2016","6","61","56064","","10.1039/C6RA09614J","","","1.5418","CuKα","","0.1292","0.074","","","0.2916","0.3051","","","","","","1.439","","","","has coordinates","183452","2020-10-21","18:00:00",""
"7225517","11.165","0.005","7.545","0.005","25.708","0.005","90","0.005","96.505","0.005","90","0.005","2151.7","1.8","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C27 H19 N3 O2 -","- C27 H19 N3 O2 -","- C108 H76 N12 O8 -","4","1","","Zhang, Xin; Gan, Xiaoping; Yao, Shun; Zhu, Weiju; Yu, Jianhua; Wu, Zhichao; zhou, Hongping; Tian, Yupeng; Wu, Jieying","Branched Triphenylamine-cored Compounds: Aggregation Induced Two-photon Absorption","RSC Adv.","2016","","","","","10.1039/C6RA09701D","","","0.71069","MoKα","","0.0731","0.0454","","","0.1296","0.1559","","","","","","1","","","","has coordinates","183453","2020-10-21","18:00:00",""
"7225518","34.868","0.003","9.7729","0.0009","29.98","0.003","90","","119.721","0.003","90","","8872.1","1.5","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C36 H23 N5 O4 -","- C36 H23 N5 O4 -","- C432 H276 N60 O48 -","12","1.5","","Zhang, Xin; Gan, Xiaoping; Yao, Shun; Zhu, Weiju; Yu, Jianhua; Wu, Zhichao; zhou, Hongping; Tian, Yupeng; Wu, Jieying","Branched Triphenylamine-cored Compounds: Aggregation Induced Two-photon Absorption","RSC Adv.","2016","","","","","10.1039/C6RA09701D","","","0.71073","MoKα","","0.1199","0.0515","","","0.1431","0.1779","","","","","","0.772","","","","has coordinates","183453","2020-10-21","18:00:00",""
"7225519","9.001","0.002","9.362","0.002","14.597","0.003","90","","104.81","0.008","90","","1189.2","0.4","100","","100","","","","","","","","","5","P 1 21 1","P 2yb","4","","3'-benzyl 1'-(tert-butyl) (R)-5-bromo-1-methyl-2-oxo-1,2,5'-trihydrospiro[indole-3,2'-pyrrole]-1',3'-dicarboxylate","","- C25 H25 Br N2 O5 -","- C25 H25 Br N2 O5 -","- C50 H50 Br2 N4 O10 -","2","1","","Sankar, Muthukumar G.; Garcia-Castro, Miguel; Golz, Christopher; Strohmann, Carsten; Kumar, Kamal","l-Isoleucine derived bifunctional phosphine catalyses asymmetric [3 + 2]-annulation of allenyl-esters and -ketones with ketimines","RSC Adv.","2016","6","61","56537","","10.1039/C6RA12387B","","x-ray","0.71073","MoKα","","0.0217","0.0207","","","0.0525","0.053","","","","","","1.072","","","","has coordinates","183454","2020-10-21","18:00:00",""
"7225520","13.3263","0.0003","8.3727","0.0002","20.7908","0.0005","90","","102.872","0.0011","90","","2261.48","0.09","200","2","200","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","1","","- C38 H60 Gd2 N6 O14 -","- C38 H60 Gd2 N6 O14 -","- C76 H120 Gd4 N12 O28 -","2","0.5","","Jiang, Y.; Holmberg, R. J.; Habib, F.; Ungur, L.; Korobkov, I.; Chibotaru, L. F.; Murugesu, M.","Probing the structural and magnetic properties of a new family of centrosymmetric dinuclear lanthanide complexes","RSC Adv.","2016","6","61","56668","","10.1039/C6RA12070A","","","0.71073","MoKα","","0.0214","0.02","","","0.0503","0.051","","","","","","1.015","","","","has coordinates","183455","2020-10-21","18:00:00",""
"7225521","13.3404","0.0005","8.3937","0.0003","20.8588","0.0008","90","","102.218","0.002","90","","2282.77","0.15","200","2","200","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2","","- C38 H60 Dy2 N6 O14 -","- C38 H60 Dy2 N6 O14 -","- C76 H120 Dy4 N12 O28 -","2","0.5","","Jiang, Y.; Holmberg, R. J.; Habib, F.; Ungur, L.; Korobkov, I.; Chibotaru, L. F.; Murugesu, M.","Probing the structural and magnetic properties of a new family of centrosymmetric dinuclear lanthanide complexes","RSC Adv.","2016","6","61","56668","","10.1039/C6RA12070A","","","0.71073","MoKα","","0.0765","0.0492","","","0.1028","0.1132","","","","","","1.063","","","","has coordinates","183455","2020-10-21","18:00:00",""
"7225522","13.2891","0.0008","8.3607","0.0006","20.7052","0.0015","90","","102.908","0.004","90","","2242.3","0.3","200","2","200","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","3","","- C38 H60 Ho2 N6 O14 -","- C38 H60 Ho2 N6 O14 -","- C76 H120 Ho4 N12 O28 -","2","0.5","","Jiang, Y.; Holmberg, R. J.; Habib, F.; Ungur, L.; Korobkov, I.; Chibotaru, L. F.; Murugesu, M.","Probing the structural and magnetic properties of a new family of centrosymmetric dinuclear lanthanide complexes","RSC Adv.","2016","6","61","56668","","10.1039/C6RA12070A","","","0.71073","MoKα","","0.0849","0.0528","","","0.1034","0.1116","","","","","","1.049","","","","has coordinates","183455","2020-10-21","18:00:00",""
"7225523","8.5864","0.0006","10.3618","0.0008","13.2646","0.0009","74.961","0.003","86.219","0.003","78.632","0.003","1117.24","0.14","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","4","","- C19 H30 Er N3 O7 -","- C19 H30 Er N3 O7 -","- C38 H60 Er2 N6 O14 -","2","1","","Jiang, Y.; Holmberg, R. J.; Habib, F.; Ungur, L.; Korobkov, I.; Chibotaru, L. F.; Murugesu, M.","Probing the structural and magnetic properties of a new family of centrosymmetric dinuclear lanthanide complexes","RSC Adv.","2016","6","61","56668","","10.1039/C6RA12070A","","","0.71073","MoKα","","0.0421","0.0381","","","0.0959","0.0987","","","","","","1.059","","","","has coordinates","183455","2020-10-21","18:00:00",""
"7225524","10.9788","0.0005","15.8121","0.001","20.9085","0.0013","108.914","0.006","91.05","0.005","106.141","0.005","3274.8","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C105 H103 Gd6 N5 O68 -","- C105 H103 Gd6 N5 O68 -","- C105 H103 Gd6 N5 O68 -","1","0.5","","Tan, Qinghua; wang, yan-qin; Guo, Xiao Yu; Liu, Hou-Ting; Liu, Zhiliang","A gadolinium MOF acting as a multi-responsive and highly selective luminescent sensor for detecting o-, m- , p-nitrophenol and Fe3+ ions in aqueous phase","RSC Adv.","2016","","","","","10.1039/C6RA07244E","","","1.54184","CuKα","","0.1252","0.0772","","","0.1723","0.1991","","","","","","1.001","","","","has coordinates,has disorder","183456","2020-10-21","18:00:00",""
"7225525","10.441","0.01","13.965","0.013","5.949","0.006","90","","95.114","0.013","90","","864","1.4","296.15","","296.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C9 H6 Br N O -","- C9 H6 Br N O -","- C36 H24 Br4 N4 O4 -","4","1","","He, Yan; Xie, Yu-Yang; Wang, Ying-chun; Bin, Xiao-min; Hu, Da-chao; Wang, Hengshan; Pan, Ying-ming","TEMPO-catalyzed Synthesis of 5-Substituted Isoxazoles from Propargylic Ketones and TMSN3","RSC Adv.","2016","","","","","10.1039/C6RA11099A","","","0.71073","MoKα","","0.1021","0.0604","","","0.143","0.1599","","","","","","1.148","","","","has coordinates","183457","2020-10-21","18:00:00",""
"7225526","10.546","0.003","7.245","0.002","13.915","0.004","90","","95.843","0.01","90","","1057.7","0.5","293","2","293","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C8 H12 Cl2 Cu0.5 N -","- C8 H12 Cl2 Cu0.5 N -","- C32 H48 Cl8 Cu2 N4 -","4","1","","Ben Salah, Assila Maatar; Sayari, Nadhem; Naïli, Houcine; Norquist, Alex","Chiral and achiral copper(II) complexes: structure, bonding and biological activities","RSC Adv.","2016","","","","","10.1039/C6RA09630A","","","0.71073","MoKα","","0.0493","0.034","","","0.0795","0.0902","","","","","","0.788","","","","has coordinates","183458","2020-10-21","18:00:00",""
"7225527","10.5419","0.0003","7.2444","0.0002","13.9027","0.0004","90","","95.916","0.002","90","","1056.09","0.05","293","2","293","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C8 H12 Cl2 Cu0.5 N -","- C8 H12 Cl2 Cu0.5 N -","- C32 H48 Cl8 Cu2 N4 -","4","1","","Ben Salah, Assila Maatar; Sayari, Nadhem; Naïli, Houcine; Norquist, Alex","Chiral and achiral copper(II) complexes: structure, bonding and biological activities","RSC Adv.","2016","","","","","10.1039/C6RA09630A","","","0.71073","MoKα","","0.0554","0.0443","","","0.1148","0.1273","","","","","","0.945","","","","has coordinates","183458","2020-10-21","18:00:00",""
"7225528","7.2117","0.001","10.3511","0.0012","27.503","0.003","90","","90","","90","","2053.1","0.4","293","2","293","2","","","","","","","","5","C 2 e b","C -2ac 2","41","","","","- C8 H12 Cl2 Cu0.5 N -","- C8 H12 Cl2 Cu0.5 N -","- C64 H96 Cl16 Cu4 N8 -","8","1","","Ben Salah, Assila Maatar; Sayari, Nadhem; Naïli, Houcine; Norquist, Alex","Chiral and achiral copper(II) complexes: structure, bonding and biological activities","RSC Adv.","2016","","","","","10.1039/C6RA09630A","","","0.71073","MoKα","","0.0528","0.0381","","","0.0751","0.0813","","","","","","1.026","","","","has coordinates","183458","2020-10-21","18:00:00",""
"7225529","10.7277","0.0003","19.7595","0.0004","10.9426","0.0003","90","","115.971","0.004","90","","2085.31","0.12","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H26 Cu N2 O4 -","- C22 H26 Cu N2 O4 -","- C88 H104 Cu4 N8 O16 -","4","1","","Paul, Aparup; Mistri, Soumen; Bhunia, Apurba; Manna, Soumen; Puschmann, Horst; Manna, Subal Chandra","Synthesis, crystal structure, DFT / TDDFT calculation, photophysical properties and DNA binding studies of morpholino moiety ligand based two Cu(II) complexes in combination with carboxylates","RSC Adv.","2016","","","","","10.1039/C6RA05570B","","x-ray","0.71073","MoKα","","0.0482","0.0349","","","0.078","0.085","","","","","","1.058","","","","has coordinates","183459","2020-10-21","18:00:00",""
"7225530","10.2427","0.0003","24.3438","0.0006","9.3982","0.0004","90","","114.26","0.004","90","","2136.46","0.14","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C23 H26 Cu N2 O4 -","- C23 H26 Cu N2 O4 -","- C92 H104 Cu4 N8 O16 -","4","1","","Paul, Aparup; Mistri, Soumen; Bhunia, Apurba; Manna, Soumen; Puschmann, Horst; Manna, Subal Chandra","Synthesis, crystal structure, DFT / TDDFT calculation, photophysical properties and DNA binding studies of morpholino moiety ligand based two Cu(II) complexes in combination with carboxylates","RSC Adv.","2016","","","","","10.1039/C6RA05570B","","x-ray","0.71073","MoKα","","0.0417","0.0343","","","0.0782","0.0816","","","","","","1.023","","","","has coordinates","183459","2020-10-21","18:00:00",""
"7225531","20.1752","0.0004","7.1076","0.0002","16.929","0.0004","90","","96.619","0.001","90","","2411.39","0.1","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C22 H28 Ag F6 N4 P -","- C22 H28 Ag F6 N4 P -","- C88 H112 Ag4 F24 N16 P4 -","4","0.5","","Haque, Rosenani A.; Ghdhayeb, Mohammed Z.; Budagumpi, Srinivasa; Khadeer Ahamed, Mohamed B.; Abdul Majid, Amin Malik Shah","Synthesis, crystal structures, and in vitro anticancer properties of new N‒heterocyclic carbene (NHC) silver(I)‒ and gold(I)/(III)‒complexes: A rare example of silver(I)‒NHC complex involved in redox transmetallation","RSC Adv.","2016","","","","","10.1039/C6RA09788J","","","0.71073","MoKα","","0.0629","0.0468","","","0.0682","0.0719","","","","","","1.215","","","","has coordinates","183460","2020-10-21","18:00:00",""
"7225532","10.5279","0.0002","10.7966","0.0003","14.6437","0.0002","108.483","0.001","91.926","0.002","100.925","0.001","1542.15","0.06","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C37.42 H34.27 Ag Br0 N5.32 O1.93 -","- C37.75 H36.395 Ag N5.49 O1.21 -","- C75.5 H72.79 Ag2 N10.98 O2.42 -","2","1","","Haque, Rosenani A.; Ghdhayeb, Mohammed Z.; Budagumpi, Srinivasa; Khadeer Ahamed, Mohamed B.; Abdul Majid, Amin Malik Shah","Synthesis, crystal structures, and in vitro anticancer properties of new N‒heterocyclic carbene (NHC) silver(I)‒ and gold(I)/(III)‒complexes: A rare example of silver(I)‒NHC complex involved in redox transmetallation","RSC Adv.","2016","","","","","10.1039/C6RA09788J","","","0.71073","MoKα","","0.1861","0.1683","","","0.3752","0.3844","","","","","","2.377","","","","has coordinates,has disorder","183460","2020-10-21","18:00:00",""
"7225533","16.5289","0.0007","8.561","0.0003","14.5774","0.0006","90","","113.83","0.001","90","","1886.91","0.13","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H17 Au Cl3 N3 -","- C15 H17 Au Cl3 N3 -","- C60 H68 Au4 Cl12 N12 -","4","1","","Haque, Rosenani A.; Ghdhayeb, Mohammed Z.; Budagumpi, Srinivasa; Khadeer Ahamed, Mohamed B.; Abdul Majid, Amin Malik Shah","Synthesis, crystal structures, and in vitro anticancer properties of new N‒heterocyclic carbene (NHC) silver(I)‒ and gold(I)/(III)‒complexes: A rare example of silver(I)‒NHC complex involved in redox transmetallation","RSC Adv.","2016","","","","","10.1039/C6RA09788J","","","0.71073","MoKα","","0.0805","0.0758","","","0.2514","0.2588","","","","","","1.062","","","","has coordinates","183460","2020-10-21","18:00:00",""
"7225534","7.5995","0.0008","19.115","0.002","15.8809","0.0018","90","","95.73","0.003","90","","2295.4","0.4","100","1","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C22 H32 Au Cl N4 O2 -","- C22 H32 Au Cl N4 O2 -","- C88 H128 Au4 Cl4 N16 O8 -","4","1","","Haque, Rosenani A.; Ghdhayeb, Mohammed Z.; Budagumpi, Srinivasa; Khadeer Ahamed, Mohamed B.; Abdul Majid, Amin Malik Shah","Synthesis, crystal structures, and in vitro anticancer properties of new N‒heterocyclic carbene (NHC) silver(I)‒ and gold(I)/(III)‒complexes: A rare example of silver(I)‒NHC complex involved in redox transmetallation","RSC Adv.","2016","","","","","10.1039/C6RA09788J","","","0.71073","MoKα","","0.0845","0.065","","","0.1524","0.1608","","","","","","1.14","","","","has coordinates","183460","2020-10-21","18:00:00",""
"7225535","20.75","0.0015","7.916","0.0007","9.058","0.0005","90","","90","","90","","1487.84","0.19","330","1","330","2","","","","","","","Sigma","5","P n a 21","P 2c -2n","33","Tolbutamide form I^H^","N-(Butylcarbamoyl)-4-methylbenzenesulfonamide","","- C12 H18 N2 O3 S -","- C12 H18 N2 O3 S -","- C48 H72 N8 O12 S4 -","4","1","","Drebushchak, T. N.; Drebushchak, V. A.; Pankrushina, N. A.; Boldyreva, E. V.","Single-crystal to single-crystal conformational polymorphic transformation in tolbutamide at 313 K. Relation to other polymorphic transformations in tolbutamide and chlorpropamide","CrystEngComm","2016","18","30","5736","","10.1039/C6CE00764C","","x-ray","0.71073","MoKα","","0.1044","0.0572","","","0.1439","0.1855","","","","","","1.05","","","","has coordinates,has disorder","185176","2020-10-21","18:00:00",""
"7225536","20.2133","0.0006","7.8233","0.0002","9.0717","0.0002","90","","90","","90","","1434.55","0.06","295","2","295","2","","","","","","","","5","P n a 21","P 2c -2n","33","Tolbutamide form I^L^","N-(Butylcarbamoyl)-4-methylbenzenesulfonamide","","- C12 H18 N2 O3 S -","- C12 H18 N2 O3 S -","- C48 H72 N8 O12 S4 -","4","1","","Drebushchak, T. N.; Drebushchak, V. A.; Pankrushina, N. A.; Boldyreva, E. V.","Single-crystal to single-crystal conformational polymorphic transformation in tolbutamide at 313 K. Relation to other polymorphic transformations in tolbutamide and chlorpropamide","CrystEngComm","2016","18","30","5736","","10.1039/C6CE00764C","","x-ray","0.71073","MoKα","","0.0424","0.0399","","","0.113","0.1148","","","","","","1.042","","","","has coordinates","185176","2020-10-21","18:00:00",""
"7225537","19.7525","0.0003","7.7998","0.0001","9.0583","0.0001","90","","90","","90","","1395.57","0.03","200","2","200","2","","","","","","","","5","P n a 21","P 2c -2n","33","Tolbutamide form I^L^","N-(Butylcarbamoyl)-4-methylbenzenesulfonamide","","- C12 H18 N2 O3 S -","- C12 H18 N2 O3 S -","- C48 H72 N8 O12 S4 -","4","1","","Drebushchak, T. N.; Drebushchak, V. A.; Pankrushina, N. A.; Boldyreva, E. V.","Single-crystal to single-crystal conformational polymorphic transformation in tolbutamide at 313 K. Relation to other polymorphic transformations in tolbutamide and chlorpropamide","CrystEngComm","2016","18","30","5736","","10.1039/C6CE00764C","","x-ray","0.71073","MoKα","","0.0277","0.0266","","","0.0714","0.0717","","","","","","1.097","","","","has coordinates","185176","2020-10-21","18:00:00",""
"7225538","19.4331","0.0003","7.801","0.0001","9.0277","0.0001","90","","90","","90","","1368.58","0.03","100","2","100","2","","","","","","","","5","P n a 21","P 2c -2n","33","Tolbutamide form I^L^","N-(Butylcarbamoyl)-4-methylbenzenesulfonamide","","- C12 H18 N2 O3 S -","- C12 H18 N2 O3 S -","- C48 H72 N8 O12 S4 -","4","1","","Drebushchak, T. N.; Drebushchak, V. A.; Pankrushina, N. A.; Boldyreva, E. V.","Single-crystal to single-crystal conformational polymorphic transformation in tolbutamide at 313 K. Relation to other polymorphic transformations in tolbutamide and chlorpropamide","CrystEngComm","2016","18","30","5736","","10.1039/C6CE00764C","","x-ray","0.71073","MoKα","","0.0306","0.0277","","","0.0715","0.0724","","","","","","1.021","","","","has coordinates","185176","2020-10-21","18:00:00",""
"7225539","9.0256","0.0002","17.1443","0.0005","17.7904","0.0005","90","","94.268","0.003","90","","2745.21","0.13","100","2","100","2","","","","","","","","5","P 1 c 1","P -2yc","7","Tolbutamide form II","N-(Butylcarbamoyl)-4-methylbenzenesulfonamide","","- C12 H18 N2 O3 S -","- C12 H18 N2 O3 S -","- C96 H144 N16 O24 S8 -","8","4","","Drebushchak, T. N.; Drebushchak, V. A.; Pankrushina, N. A.; Boldyreva, E. V.","Single-crystal to single-crystal conformational polymorphic transformation in tolbutamide at 313 K. Relation to other polymorphic transformations in tolbutamide and chlorpropamide","CrystEngComm","2016","18","30","5736","","10.1039/C6CE00764C","","x-ray","0.71073","MoKα","","0.0948","0.0632","","","0.0984","0.1086","","","","","","1.036","","","","has coordinates","185176","2020-10-21","18:00:00",""
"7225540","8.7461","0.0007","10.5696","0.0008","11.8018","0.0009","95.426","0.003","105.576","0.003","95.516","0.003","1037.78","0.14","296","2","296","","","","","","","","","5","P -1","-P 1","2","","","","- C32 H28 Cd2 N16 O18 -","- C32 H28 Cd2 N16 O18 -","- C32 H28 Cd2 N16 O18 -","1","0.5","","Banik, Rupak; Roy, Subhadip; Kirillov, Alexander M.; Bauza, Antonio; Frontera, Antonio; Rodríguez-Diéguez, Antonio; Salas, Juan M.; Maniukiewicz, Waldemar; Das, Saroj Kr.; Das, Subrata","Two mixed-ligand cadmium(ii) compounds bearing 5-nitrosopyrimidine and N-donor aromatic blocks: self-assembly generation, structural and topological features, DFT studies, and Hirshfeld surface analysis","CrystEngComm","2016","18","30","5647","","10.1039/C6CE00989A","","","0.71073","MoKα","","0.0285","0.0271","","","0.0782","0.0793","","","","","","1.114","","","","has coordinates,has disorder","185177","2020-10-21","18:00:00",""
"7225541","10.529","0.0004","11.3431","0.0004","18.5469","0.0008","90","","101.742","0.002","90","","2168.73","0.15","296","2","296","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C17 H18 Cd N8 O8 -","- C17 H18 Cd N8 O8 -","- C68 H72 Cd4 N32 O32 -","4","1","","Banik, Rupak; Roy, Subhadip; Kirillov, Alexander M.; Bauza, Antonio; Frontera, Antonio; Rodríguez-Diéguez, Antonio; Salas, Juan M.; Maniukiewicz, Waldemar; Das, Saroj Kr.; Das, Subrata","Two mixed-ligand cadmium(ii) compounds bearing 5-nitrosopyrimidine and N-donor aromatic blocks: self-assembly generation, structural and topological features, DFT studies, and Hirshfeld surface analysis","CrystEngComm","2016","18","30","5647","","10.1039/C6CE00989A","","","0.71073","MoKα","","0.0409","0.0336","","","0.0755","0.0788","","","","","","1.068","","","","has coordinates","185177","2020-10-21","18:00:00",""
"7225542","9.216","0.0003","26.743","0.001","13.932","0.0005","90","","96.91","0.001","90","","3408.8","0.2","173","2","173","2","","","101.3","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C32 H48 Co N7 O6 -","- C32 H48 Co N7 O6 -","- C128 H192 Co4 N28 O24 -","4","1","","Sekine, Akiko; Ina, Sayaka; Johmoto, Kohei; Uekusa, Hidehiro","Control of the photochromic behavior of cobaloxime complexes with salicylidene-3-aminopyridine and 2-cyanoethyl groups by dual photoisomerization","CrystEngComm","2016","18","38","7330","","10.1039/C6CE01005A","","x-ray","0.71073","MoKα","","0.1208","0.0854","","","0.1948","0.2107","","","","","","1.069","","","","has coordinates,has disorder","187033","2020-10-21","18:00:00",""
"7225543","9.168","0.0006","26.964","0.002","14.024","0.0011","90","","97.328","0.002","90","","3438.5","0.4","173","2","173","2","","","101.3","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C32 H48 Co N7 O6 -","- C31.3 H44 Co N7 O5.3 -","- C125.2 H176 Co4 N28 O21.2 -","4","1","","Sekine, Akiko; Ina, Sayaka; Johmoto, Kohei; Uekusa, Hidehiro","Control of the photochromic behavior of cobaloxime complexes with salicylidene-3-aminopyridine and 2-cyanoethyl groups by dual photoisomerization","CrystEngComm","2016","18","38","7330","","10.1039/C6CE01005A","","x-ray","0.71073","MoKα","","0.153","0.0839","","","0.16","0.1922","","","","","","1.062","","","","has coordinates,has disorder","187033","2020-10-21","18:00:00",""
"7225544","8.88","0.0005","12.2","0.0008","16.687","0.0011","109.096","0.002","95.643","0.002","103.792","0.002","1628.16","0.18","173","2","173","2","","","101.3","","","","","5","P -1","-P 1","2","","","","- C31 H44 Co N7 O5 -","- C31 H44 Co N7 O5 -","- C62 H88 Co2 N14 O10 -","2","1","","Sekine, Akiko; Ina, Sayaka; Johmoto, Kohei; Uekusa, Hidehiro","Control of the photochromic behavior of cobaloxime complexes with salicylidene-3-aminopyridine and 2-cyanoethyl groups by dual photoisomerization","CrystEngComm","2016","18","38","7330","","10.1039/C6CE01005A","","x-ray","0.71073","MoKα","","0.1029","0.0569","","","0.1153","0.1328","","","","","","1.023","","","","has coordinates,has disorder","187033","2020-10-21","18:00:00",""
"7225545","8.9","0.0008","12.216","0.0012","16.818","0.0015","109.239","0.003","94.666","0.003","104.585","0.003","1643.5","0.3","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C31 H44 Co N7 O5 -","- C31 H44 Co N7 O5 -","- C62 H88 Co2 N14 O10 -","2","1","","Sekine, Akiko; Ina, Sayaka; Johmoto, Kohei; Uekusa, Hidehiro","Control of the photochromic behavior of cobaloxime complexes with salicylidene-3-aminopyridine and 2-cyanoethyl groups by dual photoisomerization","CrystEngComm","2016","18","38","7330","","10.1039/C6CE01005A","","x-ray","0.71073","MoKα","","0.1865","0.0773","","","0.1688","0.2183","","","","","","1.055","","","","has coordinates,has disorder","187033","2020-10-21","18:00:00",""
"7225546","17.211","0.0005","7.562","0.0002","21.477","0.0005","90","","107.555","0.001","90","","2665.04","0.12","173","2","173","2","","","101.3","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H30 Co N7 O6 -","- C24 H30 Co N7 O6 -","- C96 H120 Co4 N28 O24 -","4","1","","Sekine, Akiko; Ina, Sayaka; Johmoto, Kohei; Uekusa, Hidehiro","Control of the photochromic behavior of cobaloxime complexes with salicylidene-3-aminopyridine and 2-cyanoethyl groups by dual photoisomerization","CrystEngComm","2016","18","38","7330","","10.1039/C6CE01005A","","x-ray","0.71073","MoKα","","0.045","0.0376","","","0.0987","0.1017","","","","","","1.086","","","","has coordinates","187033","2020-10-21","18:00:00",""
"7225547","17.083","0.0006","7.633","0.0003","21.527","0.0008","90","","108.711","0.001","90","","2658.65","0.17","173","2","173","2","","","101.3","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H30 Co N7 O6 -","- C24.093 H30.124 Co N7.031 O6 -","- C96.372 H120.496 Co4 N28.124 O24 -","4","1","","Sekine, Akiko; Ina, Sayaka; Johmoto, Kohei; Uekusa, Hidehiro","Control of the photochromic behavior of cobaloxime complexes with salicylidene-3-aminopyridine and 2-cyanoethyl groups by dual photoisomerization","CrystEngComm","2016","18","38","7330","","10.1039/C6CE01005A","","x-ray","0.71073","MoKα","","0.059","0.0491","","","0.1228","0.1288","","","","","","1.099","","","","has coordinates,has disorder","187033","2020-10-21","18:00:00",""
"7225548","7.962","0.0007","8.407","0.0006","18.899","0.0014","90","","94.566","0.002","90","","1261.02","0.17","173","2","173","2","","","101.3","","","","","6","P 1 21 1","P 2yb","4","","","","- C23 H27 Cl Co N7 O5 -","- C23 H27 Cl Co N7 O5 -","- C46 H54 Cl2 Co2 N14 O10 -","2","1","","Sekine, Akiko; Ina, Sayaka; Johmoto, Kohei; Uekusa, Hidehiro","Control of the photochromic behavior of cobaloxime complexes with salicylidene-3-aminopyridine and 2-cyanoethyl groups by dual photoisomerization","CrystEngComm","2016","18","38","7330","","10.1039/C6CE01005A","","x-ray","0.71073","MoKα","","0.1306","0.0639","","","0.1209","0.1644","","","","","","1.069","","","","has coordinates","187033","2020-10-21","18:00:00",""
"7225549","8.401","0.0005","13.093","0.0009","13.775","0.001","63.746","0.002","89.633","0.002","75.599","0.002","1306.78","0.15","173","2","173","2","","","101.3","","","","","6","P -1","-P 1","2","","","","- C23 H27 Br Co N7 O5 -","- C23 H27 Br Co N7 O5 -","- C46 H54 Br2 Co2 N14 O10 -","2","1","","Sekine, Akiko; Ina, Sayaka; Johmoto, Kohei; Uekusa, Hidehiro","Control of the photochromic behavior of cobaloxime complexes with salicylidene-3-aminopyridine and 2-cyanoethyl groups by dual photoisomerization","CrystEngComm","2016","18","38","7330","","10.1039/C6CE01005A","","x-ray","0.71073","MoKα","","0.1276","0.0533","","","0.1151","0.1605","","","","","","1.134","","","","has coordinates,has disorder","187033","2020-10-21","18:00:00",""
"7225550","10.1677","0.0005","14.6615","0.0008","17.0409","0.0009","90","","106.069","0.001","90","","2441.1","0.2","93","2","93","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C28 H22 F6 S2 -","- C28 H22 F6 S2 -","- C112 H88 F24 S8 -","4","1","","Fujinaga, Noriko; Nishikawa, Naoki; Nishimura, Ryo; Hyodo, Kengo; Yamazoe, Seiji; Kojima, Yuko; Yamamoto, Kazuki; Tsujioka, Tsuyoshi; Morimoto, Masakazu; Yokojima, Satoshi; Nakamura, Shinichiro; Uchida, Kingo","Photoinduced topographical changes on microcrystalline surfaces of diarylethenes","CrystEngComm","2016","18","38","7229","","10.1039/C6CE00718J","","","0.71073","MoKα","","0.0443","0.0399","","","0.0919","0.0941","","","","","","1.08","","","","has coordinates","187034","2020-10-21","18:00:00",""
"7225551","21.9703","0.0011","10.0662","0.0005","21.3","0.0011","90","","93.092","0.001","90","","4703.8","0.4","93","2","93","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C28 H22 F6 S2 -","- C28 H22 F6 S2 -","- C224 H176 F48 S16 -","8","2","","Fujinaga, Noriko; Nishikawa, Naoki; Nishimura, Ryo; Hyodo, Kengo; Yamazoe, Seiji; Kojima, Yuko; Yamamoto, Kazuki; Tsujioka, Tsuyoshi; Morimoto, Masakazu; Yokojima, Satoshi; Nakamura, Shinichiro; Uchida, Kingo","Photoinduced topographical changes on microcrystalline surfaces of diarylethenes","CrystEngComm","2016","18","38","7229","","10.1039/C6CE00718J","","","0.71073","MoKα","","0.0554","0.0462","","","0.1006","0.1056","","","","","","1.116","","","","has coordinates","187034","2020-10-21","18:00:00",""
"7225552","10.7918","0.0003","13.7957","0.0005","20.5392","0.0005","83.691","0.003","87.739","0.002","86.459","0.003","3031.92","0.16","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C109.6 H131.2 Br11.2 Cl4 N20 Pt4 -","- C107 H126 Br6 Cl4 N20 Pt4 -","- C107 H126 Br6 Cl4 N20 Pt4 -","1","0.5","","Ivanov, Daniil M.; Novikov, Alexander S.; Starova, Galina L.; Haukka, Matti; Kukushkin, Vadim Yu.","A family of heterotetrameric clusters of chloride species and halomethanes held by two halogen and two hydrogen bonds","CrystEngComm","2016","18","28","5278","","10.1039/C6CE01179A","","","1.5418","CuKα","","0.0884","0.069","","","0.1624","0.1759","","","","","","1.065","","","","has coordinates","185275","2020-10-21","18:00:00",""
"7225553","9.8061","0.0005","13.1997","0.0006","13.2846","0.0006","115.493","0.002","91.131","0.002","107.138","0.002","1461.62","0.12","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C31 H23 Cl4 N5 Pt -","- C31 H23 Cl4 N5 Pt -","- C62 H46 Cl8 N10 Pt2 -","2","1","","Ivanov, Daniil M.; Novikov, Alexander S.; Starova, Galina L.; Haukka, Matti; Kukushkin, Vadim Yu.","A family of heterotetrameric clusters of chloride species and halomethanes held by two halogen and two hydrogen bonds","CrystEngComm","2016","18","28","5278","","10.1039/C6CE01179A","","","0.71073","MoKα","","0.0256","0.0206","","","0.0446","0.0461","","","","","","1.038","","","","has coordinates","185275","2020-10-21","18:00:00",""
"7225554","10.7179","0.0003","13.6861","0.0004","20.5784","0.0007","84.512","0.003","87.526","0.002","85.48","0.002","2993.46","0.16","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C109.5 H131 Cl15 N20 Pt4 -","- C109.5 H131 Cl15 N20 Pt4 -","- C109.5 H131 Cl15 N20 Pt4 -","1","0.5","","Ivanov, Daniil M.; Novikov, Alexander S.; Starova, Galina L.; Haukka, Matti; Kukushkin, Vadim Yu.","A family of heterotetrameric clusters of chloride species and halomethanes held by two halogen and two hydrogen bonds","CrystEngComm","2016","18","28","5278","","10.1039/C6CE01179A","","","0.71073","MoKα","","0.0648","0.0465","","","0.0945","0.1022","","","","","","1.109","","","","has coordinates,has disorder","185275","2020-10-21","18:00:00",""
"7225555","8.279","0.0004","8.3562","0.0004","19.2301","0.0009","100.217","0.002","98.258","0.002","96.502","0.002","1282.48","0.11","220","2","220","2","","","","","","","","5","P -1","-P 1","2","","","","- C33 H27 B F2 N2 -","- C33 H27 B F2 N2 -","- C66 H54 B2 F4 N4 -","2","1","","Obondi, Christopher O.; Lim, Gary N.; Karr, Paul A.; Nesterov, Vladimir N.; D'Souza, Francis","Photoinduced charge separation in wide-band capturing, multi-modular bis(donor styryl)BODIPY-fullerene systems.","Physical chemistry chemical physics : PCCP","2016","18","27","18187","18200","10.1039/c6cp03479a","","","0.71073","MoKα","","0.0979","0.0769","","","0.2091","0.2254","","","","","","1.003","","","","has coordinates","185669","2020-10-21","18:00:00",""
"7225556","18.2887","0.0009","27.7326","0.0014","15.9855","0.0008","90","","108.49","0.001","90","","7689.2","0.7","187","2","187","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C35 H42 Cl2 F O2 P Zr -","- C35 H42 Cl2 F O2 P Zr -","- C280 H336 Cl16 F8 O16 P8 Zr8 -","8","2","","Li, Yulian; Yang, Jixing; Wang, Bin; Li, Yuesheng","Efficient copolymerization of ethylene with norbornene and its derivatives using half-metallocene zirconium(IV) catalysts","RSC Adv.","2016","","","","","10.1039/C6RA11501B","","","0.71073","MoKα","","0.078","0.0552","","","0.1524","0.165","","","","","","0.995","","","","has coordinates","192220","2020-10-21","18:00:00",""
"7225557","20.3736","0.0016","21.5156","0.0016","13.6999","0.001","90","","90","","90","","6005.4","0.8","185","2","185","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C30 H41 Cl2 O2 P Zr -","- C30 H41 Cl2 O2 P Zr -","- C240 H328 Cl16 O16 P8 Zr8 -","8","1","","Li, Yulian; Yang, Jixing; Wang, Bin; Li, Yuesheng","Efficient copolymerization of ethylene with norbornene and its derivatives using half-metallocene zirconium(IV) catalysts","RSC Adv.","2016","","","","","10.1039/C6RA11501B","","","0.71073","MoKα","","0.0934","0.0579","","","0.1149","0.1288","","","","","","1.092","","","","has coordinates","183528","2020-10-21","18:00:00",""
"7225558","10.1876","0.0004","10.6582","0.0004","12.8044","0.0005","94.099","0.001","103.293","0.001","105.08","0.002","1293.66","0.09","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C54 H48 Br4 N8 Pb2 -","- C54 H48 Br4 N8 Pb2 -","- C54 H48 Br4 N8 Pb2 -","1","0.5","","Mahmoudi, Ghodrat; Stilinovic, Vladimir; Bauza, Antonio; Frontera, Antonio; Bartyzel, Agata; Ruiz-Perez, Catalina; Kirillov, Alexander M.","Inorganic-Organic Hybrid Materials Based on PbBr2 and Pyridine-Hydrazone Blocks ‒ Structural and Theoretical Study","RSC Adv.","2016","","","","","10.1039/C6RA13462A","","","0.71073","MoKα","","0.0301","0.0252","","","0.0597","0.0614","","","","","","1.024","","","","has coordinates","183529","2020-10-21","18:00:00",""
"7225559","7.5893","0.0003","10.6608","0.0005","10.7299","0.0009","97.04","0.005","102.644","0.005","99.802","0.005","823.1","0.09","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C12 H10 Br2 N4 O Pb -","- C12 H10 Br2 N4 O Pb -","- C24 H20 Br4 N8 O2 Pb2 -","2","1","","Mahmoudi, Ghodrat; Stilinovic, Vladimir; Bauza, Antonio; Frontera, Antonio; Bartyzel, Agata; Ruiz-Perez, Catalina; Kirillov, Alexander M.","Inorganic-Organic Hybrid Materials Based on PbBr2 and Pyridine-Hydrazone Blocks ‒ Structural and Theoretical Study","RSC Adv.","2016","","","","","10.1039/C6RA13462A","","x-ray","0.71073","MoKα","","0.0465","0.0398","","","0.1032","0.1074","","","","","","1.07","","","","has coordinates","183529","2020-10-21","18:00:00",""
"7225560","8.2036","0.0011","8.7101","0.0012","10.9517","0.0015","100.39","0.003","92.092","0.003","94.892","0.003","765.83","0.18","110","2","110","2","","","","","","","","6","P -1","-P 1","2","","","","- C13 H12 Br2 N4 O Pb -","- C13 H12 Br2 N4 O Pb -","- C26 H24 Br4 N8 O2 Pb2 -","2","1","","Mahmoudi, Ghodrat; Stilinovic, Vladimir; Bauza, Antonio; Frontera, Antonio; Bartyzel, Agata; Ruiz-Perez, Catalina; Kirillov, Alexander M.","Inorganic-Organic Hybrid Materials Based on PbBr2 and Pyridine-Hydrazone Blocks ‒ Structural and Theoretical Study","RSC Adv.","2016","","","","","10.1039/C6RA13462A","","","0.71073","MoKα","","0.0282","0.0228","","","0.05","0.0518","","","","","","1.028","","","","has coordinates","183529","2020-10-21","18:00:00",""
"7225561","9.3608","0.0003","16.1741","0.0006","10.6812","0.0004","90","","99.959","0.003","90","","1592.79","0.1","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C13 H12 Br2 N4 O Pb -","- C13 H12 Br2 N4 O Pb -","- C52 H48 Br8 N16 O4 Pb4 -","4","1","","Mahmoudi, Ghodrat; Stilinovic, Vladimir; Bauza, Antonio; Frontera, Antonio; Bartyzel, Agata; Ruiz-Perez, Catalina; Kirillov, Alexander M.","Inorganic-Organic Hybrid Materials Based on PbBr2 and Pyridine-Hydrazone Blocks ‒ Structural and Theoretical Study","RSC Adv.","2016","","","","","10.1039/C6RA13462A","","","0.71073","MoKα","","0.0722","0.0436","","","0.0726","0.0853","","","","","","0.993","","","","has coordinates","183529","2020-10-21","18:00:00",""
"7225562","7.5029","0.0001","17.6124","0.0002","14.2437","0.0002","90","","101.062","0.0007","90","","1847.25","0.04","103","2","103","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C26 H24 Br6 N8 O2 Pb3 -","- C26 H24 Br6 N8 O2 Pb3 -","- C52 H48 Br12 N16 O4 Pb6 -","2","0.5","","Mahmoudi, Ghodrat; Stilinovic, Vladimir; Bauza, Antonio; Frontera, Antonio; Bartyzel, Agata; Ruiz-Perez, Catalina; Kirillov, Alexander M.","Inorganic-Organic Hybrid Materials Based on PbBr2 and Pyridine-Hydrazone Blocks ‒ Structural and Theoretical Study","RSC Adv.","2016","","","","","10.1039/C6RA13462A","","","0.71073","MoKα","","0.0305","0.0206","","","0.039","0.0415","","","","","","0.985","","","","has coordinates","183529","2020-10-21","18:00:00",""
"7225563","7.896","0.001","8.4207","0.0007","14.3158","0.0016","80.843","0.008","81.536","0.01","89.868","0.008","929.27","0.18","173","2","173","2","","","","","","","","4","P 1","P 1","1","","","","- C21 H29 N3 O3 -","- C21 H29 N3 O3 -","- C42 H58 N6 O6 -","2","2","","Li, Yu-Ting; Gao, Xian-Da; Zhang, Wei; Huang, Xiao-Jun; Zhang, Dongmei; Jiang, Renwang; Wang, Lei; Zhang, Xiaoqi; Ye, Wen-Cai","Winchinines A and B, two unusual monoterpene indole alkaloids with a third nitrogen atom from Winchia calophylla","RSC Adv.","2016","","","","","10.1039/C6RA10137B","","","1.54184","CuKα","","0.0609","0.0556","","","0.154","0.1607","","","","","","1.117","","","","has coordinates","183530","2020-10-21","18:00:00",""
"7225564","34.468","0.006","5.0526","0.0007","15.304","0.002","90","","95.071","0.015","90","","2654.8","0.7","298","2","298","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C26 H33 N6 O6 -","- C26 H33 N3 O6 -","- C104 H132 N12 O24 -","4","1","","HALDAR, DEBASISH; Maji, Krishnendu; Pramanik, Apurba; Paikar, Arpita","Photo-responsive modulation of hybrid peptide assembly, charge transfer complex formation and gelation","RSC Adv.","2016","","","","","10.1039/C6RA13026G","","x-ray","0.71073","MoKα","","0.1396","0.078","","","0.159","0.1915","","","","","","1.086","","","","has coordinates","183531","2020-10-21","18:00:00",""
"7225565","6.7184","0.0011","9.4772","0.0014","9.9727","0.0015","94.5","0.002","96.361","0.003","98.937","0.002","620.44","0.17","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C11 H11 O7 Zn -","- C11 H5 O7 Zn -","- C22 H10 O14 Zn2 -","2","1","","Wu, Yunlong; Yang, Guo-Ping; Liu, Jiao; Yan, Yangtian; Luan, Xinjun; Zhang, Wen-Yan; Wang, Yao-Yu","Crystal structures from 1D to 3D: triggered by the different coordination morphologies of ligands in different reaction systems","CrystEngComm","2016","18","31","5901","","10.1039/C6CE00731G","","","0.71073","MoKα","","0.1004","0.0688","","","0.2055","0.3005","","","","","","1.036","","","","has coordinates","185251","2020-10-21","18:00:00",""
"7225566","7.648","0.002","16.648","0.005","11.768","0.003","90","","115.798","0.013","90","","1349","0.7","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H12 N O5 Zn -","- C14 H12 N O5 Zn -","- C56 H48 N4 O20 Zn4 -","4","1","","Wu, Yunlong; Yang, Guo-Ping; Liu, Jiao; Yan, Yangtian; Luan, Xinjun; Zhang, Wen-Yan; Wang, Yao-Yu","Crystal structures from 1D to 3D: triggered by the different coordination morphologies of ligands in different reaction systems","CrystEngComm","2016","18","31","5901","","10.1039/C6CE00731G","","","0.71073","MoKα","","0.0655","0.0416","","","0.1271","0.1851","","","","","","1.087","","","","has coordinates","185251","2020-10-21","18:00:00",""
"7225567","10.861","0.003","6.3914","0.0015","17.003","0.004","90","","105.828","0.004","90","","1135.5","0.5","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H20 O14 Zn3 -","- C22 H12 O14 Zn3 -","- C44 H24 O28 Zn6 -","2","0.5","","Wu, Yunlong; Yang, Guo-Ping; Liu, Jiao; Yan, Yangtian; Luan, Xinjun; Zhang, Wen-Yan; Wang, Yao-Yu","Crystal structures from 1D to 3D: triggered by the different coordination morphologies of ligands in different reaction systems","CrystEngComm","2016","18","31","5901","","10.1039/C6CE00731G","","","0.71073","MoKα","","0.0645","0.0472","","","0.2042","0.2375","","","","","","1.028","","","","has coordinates","185251","2020-10-21","18:00:00",""
"7225568","12.206","0.011","17.833","0.015","15.309","0.013","90","","111.229","0.014","90","","3106","5","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H31 N O15 Zn2 -","- C26 H19 N O10 Zn2 -","- C104 H76 N4 O40 Zn8 -","4","1","","Wu, Yunlong; Yang, Guo-Ping; Liu, Jiao; Yan, Yangtian; Luan, Xinjun; Zhang, Wen-Yan; Wang, Yao-Yu","Crystal structures from 1D to 3D: triggered by the different coordination morphologies of ligands in different reaction systems","CrystEngComm","2016","18","31","5901","","10.1039/C6CE00731G","","","0.71073","MoKα","","0.0652","0.0527","","","0.1584","0.1698","","","","","","0.993","","","","has coordinates","185251","2020-10-21","18:00:00",""
"7225569","7.935","0.001","6.8376","0.0009","21.605","0.003","90","","105.871","0.004","90","","1127.5","0.3","296","2","296","2","","","","","","","","4","P 1 2/c 1","-P 2yc","13","","","","- C22 H18 Cd O11 -","- C22 H10 Cd O11 -","- C44 H20 Cd2 O22 -","2","0.5","","Wu, Yunlong; Yang, Guo-Ping; Liu, Jiao; Yan, Yangtian; Luan, Xinjun; Zhang, Wen-Yan; Wang, Yao-Yu","Crystal structures from 1D to 3D: triggered by the different coordination morphologies of ligands in different reaction systems","CrystEngComm","2016","18","31","5901","","10.1039/C6CE00731G","","","0.71073","MoKα","","0.0485","0.0354","","","0.1051","0.1396","","","","","","1.07","","","","has coordinates","185251","2020-10-21","18:00:00",""
"7225570","7.5857","0.001","12.7604","0.0017","11.2862","0.0016","90","","95.635","0.002","90","","1087.2","0.3","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C22 H16 Cd2 O11 -","- C22 H10 Cd2 O11 -","- C44 H20 Cd4 O22 -","2","1","","Wu, Yunlong; Yang, Guo-Ping; Liu, Jiao; Yan, Yangtian; Luan, Xinjun; Zhang, Wen-Yan; Wang, Yao-Yu","Crystal structures from 1D to 3D: triggered by the different coordination morphologies of ligands in different reaction systems","CrystEngComm","2016","18","31","5901","","10.1039/C6CE00731G","","","0.71073","MoKα","","0.0516","0.0422","","","0.1325","0.1824","","","","","","1.048","","","","has coordinates","185251","2020-10-21","18:00:00",""
"7225571","6.881","0.001","7.7133","0.0011","9.8423","0.0014","94.799","0.002","98.494","0.002","96.112","0.002","511.09","0.13","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C11 H7 O5 Pb -","- C11 H5 O5 Pb -","- C22 H10 O10 Pb2 -","2","1","","Wu, Yunlong; Yang, Guo-Ping; Liu, Jiao; Yan, Yangtian; Luan, Xinjun; Zhang, Wen-Yan; Wang, Yao-Yu","Crystal structures from 1D to 3D: triggered by the different coordination morphologies of ligands in different reaction systems","CrystEngComm","2016","18","31","5901","","10.1039/C6CE00731G","","","0.71073","MoKα","","0.0723","0.0543","","","0.1571","0.2409","","","","","","1.065","","","","has coordinates","185251","2020-10-21","18:00:00",""
"7225572","11.248","0.002","12.241","0.002","12.431","0.003","102.219","0.006","92.044","0.007","109.964","0.006","1561.4","0.5","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C56 H58 Mn3 N10 O18 -","- C56 H58 Mn3 N10 O18 -","- C56 H58 Mn3 N10 O18 -","1","0.5","","Gao, Heng Ya; Zhang, Le; Yan, Chang Sheng; Meng, Li Na; Li, Jian Qiang; Meng, Pan Pan; Gong, Le Le; Luo, Feng","In situ identification and absolute separation of small molecules by single crystal X-ray diffraction in metal‒organic frameworks","CrystEngComm","2016","18","29","5429","","10.1039/C6CE01085G","","","0.71073","MoKα","","0.0595","0.0519","","","0.1488","0.158","","","","","","1.064","","","","has coordinates","185264","2020-10-21","18:00:00",""
"7225573","11.2155","0.0019","12.436","0.002","12.44","0.002","102.507","0.008","91.252","0.008","110.743","0.008","1574.8","0.5","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C58 H64 Mn3 N10 O18 -","- C58 H64 Mn3 N10 O18 -","- C58 H64 Mn3 N10 O18 -","1","0.5","","Gao, Heng Ya; Zhang, Le; Yan, Chang Sheng; Meng, Li Na; Li, Jian Qiang; Meng, Pan Pan; Gong, Le Le; Luo, Feng","In situ identification and absolute separation of small molecules by single crystal X-ray diffraction in metal‒organic frameworks","CrystEngComm","2016","18","29","5429","","10.1039/C6CE01085G","","","0.71073","MoKα","","0.0427","0.0374","","","0.1029","0.1088","","","","","","1.046","","","","has coordinates","185264","2020-10-21","18:00:00",""
"7225574","11.3694","0.0007","12.439","0.0007","12.4649","0.0008","102.276","0.003","110.249","0.003","92.234","0.003","1603.84","0.17","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C60 H68 Mn3 N10 O18 -","- C60 H66 Mn3 N10 O18 -","- C60 H66 Mn3 N10 O18 -","1","0.5","","Gao, Heng Ya; Zhang, Le; Yan, Chang Sheng; Meng, Li Na; Li, Jian Qiang; Meng, Pan Pan; Gong, Le Le; Luo, Feng","In situ identification and absolute separation of small molecules by single crystal X-ray diffraction in metal‒organic frameworks","CrystEngComm","2016","18","29","5429","","10.1039/C6CE01085G","","","0.71073","MoKα","","0.0674","0.056","","","0.1288","0.1395","","","","","","1.131","","","","has coordinates","185264","2020-10-21","18:00:00",""
"7225575","11.5248","0.0006","15.4562","0.0009","18.8105","0.0011","91.181","0.003","98.392","0.003","107.518","0.003","3153.7","0.3","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C60 H66 Mn3 N12 O17.5 -","- C60 H66 Mn3 N12 O17.5 -","- C120 H132 Mn6 N24 O35 -","2","1","","Gao, Heng Ya; Zhang, Le; Yan, Chang Sheng; Meng, Li Na; Li, Jian Qiang; Meng, Pan Pan; Gong, Le Le; Luo, Feng","In situ identification and absolute separation of small molecules by single crystal X-ray diffraction in metal‒organic frameworks","CrystEngComm","2016","18","29","5429","","10.1039/C6CE01085G","","","0.71073","MoKα","","0.1276","0.0892","","","0.2335","0.2719","","","","","","1.058","","","","has coordinates","185264","2020-10-21","18:00:00",""
"7225576","8.027","0.008","18.689","0.018","4.965","0.005","90","","90","","90","","744.8","1.3","296","2","296","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- Li O4 P Pb -","- Li O4 P Pb -","- Li8 O32 P8 Pb8 -","8","2","","Han, Guopeng; Liu, Qiong; Wang, Ying; Su, Xin; Yang, Zhihua; Pan, Shilie","Experimental and theoretical studies on the linear and nonlinear optical properties of lead phosphate crystals LiPbPO4.","Physical chemistry chemical physics : PCCP","2016","18","28","19123","19129","10.1039/c6cp02672a","","","0.71073","MoKα","","0.0412","0.0352","","","0.0811","0.0853","","","","","","1.024","","","","has coordinates","185674","2020-10-21","18:00:00",""
"7225577","9.3748","0.0016","7.8979","0.0013","26.98","0.004","90","","90","","90","","1997.6","0.6","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C11 H10 N2 S -","- C11 H10 N2 S -","- C88 H80 N16 S8 -","8","1","","Zeng, Fanxun; Liu, Pengjian; Li, Z.; Shao, Xusheng; Xu, Xiaoyong","Catalyst-Free and Selective Synthesis of 2-Aminothiophenes and 2-Amino-4,5-dihydrothiophenes from 4-Thiazolidinones in Water","RSC Adv.","2016","","","","","10.1039/C6RA11151C","","","0.71073","MoKα","","0.0525","0.0412","","","0.1097","0.1185","","","","","","1.05","","","","has coordinates","183667","2020-10-21","18:00:00",""
"7225578","8.477","0.0015","8.6108","0.0014","10.4033","0.0015","105.09","0.003","96.643","0.002","95.659","0.003","721.7","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C17 H11 F N2 S -","- C17 H11 F N2 S -","- C34 H22 F2 N4 S2 -","2","1","","Zeng, Fanxun; Liu, Pengjian; Li, Z.; Shao, Xusheng; Xu, Xiaoyong","Catalyst-Free and Selective Synthesis of 2-Aminothiophenes and 2-Amino-4,5-dihydrothiophenes from 4-Thiazolidinones in Water","RSC Adv.","2016","","","","","10.1039/C6RA11151C","","","0.71073","MoKα","","0.0775","0.0432","","","0.1049","0.1211","","","","","","1.025","","","","has coordinates","183667","2020-10-21","18:00:00",""
"7225579","14.29","0.005","7.43","0.005","14.697","0.005","90","0.005","116.638","0.005","90","0.005","1394.8","1.2","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","isonicotinamidium picrate","","- C12 H9 N5 O8 -","- C12 H9 N5 O8 -","- C48 H36 N20 O32 -","4","1","","Jauhar, RO. MU.; Viswanathan, V.; Vivek, P.; Vinitha, G.; Velmurugan, D.; Murugakoothan, P.","A new organic NLO material isonicotinamidium picrate (ISPA): crystal structure, structural modeling and its physico-chemical properties","RSC Adv.","2016","6","63","57977","","10.1039/C6RA10477K","","","0.71073","MoKα","","0.1095","0.0643","","","0.1482","0.1711","","","","","","1.118","","","","has coordinates","183668","2020-10-21","18:00:00",""
"7225580","9.802","0.003","11.002","0.004","14.295","0.005","85.036","0.006","87.91","0.006","65.323","0.005","1395.6","0.8","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H38 Cu N4 O10 -","- C24 H38 Cu N4 O10 -","- C48 H76 Cu2 N8 O20 -","2","1","","Mondal, Ranjan Kumar; Dhibar, Subhendu; Mukherjee, Priyanka; Chattopadhyay, Asoke Prasun; Saha, Rajat; Dey, Biswajit","A selective picomolar level fluorometric sensing of Cr(VI)-oxoanion in water medium by a novel metal-organic complex","RSC Adv.","2016","","","","","10.1039/C6RA12819J","","","0.71073","MoKα","","0.1263","0.1143","","","0.323","0.3309","","","","","","1.127","","","","has coordinates","183669","2020-10-21","18:00:00",""
"7225581","12.0439","0.0008","13.194","0.0005","25.6543","0.001","102.364","0.003","93.086","0.005","90.337","0.004","3975.7","0.3","100","1","100","1","","","","","","","","6","P -1","-P 1","2","","","","- C74 H116 Cl3 I3 N4 O12 -","- C74 H116 Cl3 I3 N4 O12 -","- C148 H232 Cl6 I6 N8 O24 -","2","1","","Pan, Fangfang; Beyeh, Ngong Kodiah; Ras, Robin H. A.; Rissanen, Kari","N-Alkyl ammonium resorcinarene polyiodides","CrystEngComm","2016","18","30","5724","","10.1039/C6CE01229A","","x-ray","1.54184","CuKα","","0.1396","0.0909","","","0.2347","0.285","","","","","","1.029","","","","has coordinates,has disorder","185180","2020-10-21","18:00:00",""
"7225582","12.2171","0.0003","13.1621","0.0003","25.6541","0.0006","77.8171","0.0019","86.247","0.002","89.7322","0.0018","4023.52","0.17","123.01","0.1","123.01","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C74 H118.6 Br3 I3 N4 O12.8 -","- C74 H118.6 Br3 I3 N4 O12.8 -","- C148 H237.2 Br6 I6 N8 O25.6 -","2","1","","Pan, Fangfang; Beyeh, Ngong Kodiah; Ras, Robin H. A.; Rissanen, Kari","N-Alkyl ammonium resorcinarene polyiodides","CrystEngComm","2016","18","30","5724","","10.1039/C6CE01229A","","x-ray","1.54184","CuKα","","0.0946","0.0831","","","0.2289","0.2472","","","","","","1.035","","","","has coordinates,has disorder","185180","2020-10-21","18:00:00",""
"7225583","15.0087","0.0004","27.3833","0.0005","16.3215","0.0004","90","","91.343","0.002","90","","6706.1","0.3","123","0.1","123","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C58 H96 Br3 I3 N4 O10 -","- C58 H96 Br3 I3 N4 O10 -","- C232 H384 Br12 I12 N16 O40 -","4","1","","Pan, Fangfang; Beyeh, Ngong Kodiah; Ras, Robin H. A.; Rissanen, Kari","N-Alkyl ammonium resorcinarene polyiodides","CrystEngComm","2016","18","30","5724","","10.1039/C6CE01229A","","x-ray","1.54184","CuKα","","0.0994","0.0692","","","0.1935","0.2275","","","","","","1.016","","","","has coordinates","185180","2020-10-21","18:00:00",""
"7225584","12.3868","0.0002","12.3868","0.0002","36.9094","0.0011","90","","90","","90","","5663.1","0.2","123","0.1","123","0.1","","","","","","","","6","P 4/n n c","-P 4a 2bc","126","","","","- C88 H128 Br7 I5 N8 O24 -","- C88 H128 Br7 I5 N8 O24 -","- C176 H256 Br14 I10 N16 O48 -","2","","","Pan, Fangfang; Beyeh, Ngong Kodiah; Ras, Robin H. A.; Rissanen, Kari","N-Alkyl ammonium resorcinarene polyiodides","CrystEngComm","2016","18","30","5724","","10.1039/C6CE01229A","","x-ray","1.54184","CuKα","","0.1237","0.1135","","","0.3201","0.3311","","","","","","1.17","","","","has coordinates,has disorder","185180","2020-10-21","18:00:00",""
"7225585","8.6095","0.0014","7.891","0.0008","21.093","0.003","90","","99.705","0.013","90","","1412.5","0.3","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C29 H45 O10 -","- C29 H45 O10 -","- C58 H90 O20 -","2","1","","Lai, Changzhi; Liu, Haibin; Liu, Jianxin; Ouyang, Qin; Pang, Shuwen; Zhou, Hua; Tian, Hai-Yan; Liu, Liang; Yao, Xin-Sheng; Tang, Jinshan","Hirundigenin type C21 steroidal glycosides from Cynanchum stauntonii and their anti-inflammatory activity","RSC Adv.","2016","","","","","10.1039/C6RA11957C","","","1.54184","CuKα","","0.0674","0.0552","","","0.1432","0.1545","","","","","","1.061","","","","has coordinates","183705","2020-10-21","18:00:00",""
"7225586","7.6171","0.0009","21.66","0.003","13.267","0.0017","90","","101.311","0.004","90","","2146.4","0.5","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C29 H22 N2 O2 -","- C29 H22 N2 O2 -","- C116 H88 N8 O8 -","4","1","","Balijapalli, Umamahesh; Manickam, Saravanakumar; Thiyagarajan, Manojkumar Dhanthalu; Iyer, Sathiyanarayanan Kulathu","Highly emissive, naked-eye solvatochromic probe based on styryl tetrahydrodibenzo[a,i]phenanthridine for acidochromic applications","RSC Adv.","2016","6","63","58549","","10.1039/C6RA09359K","","","0.71073","MoKα","","0.084","0.0516","","","0.1313","0.1688","","","","","","1.241","","","","has coordinates","183706","2020-10-21","18:00:00",""
"7225587","7.8529","0.0002","8.0661","0.0003","15.1957","0.0006","90","","102.589","0.001","90","","939.39","0.06","200","2","200","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","cis-5-fluoro-6-methoxy-1,3,6-trimethyl-5,6-dihydrouracil","","- C8 H13 F N2 O3 -","- C8 H13 F N2 O3 -","- C32 H52 F4 N8 O12 -","4","1","","Borodkin, Gennady Ivanovich; Elanov, Innokenty Romanovich; Gatilov, Yuri V.; Shubin, Vyacheslav","Promotional effect of ionic liquids in electrophilic fluorination of methylated uracils","RSC Adv.","2016","","","","","10.1039/C6RA10850D","","","0.71073","MoKα","","0.045","0.0366","","","0.1004","0.1067","","","","","","0.979","","","","has coordinates","183707","2020-10-21","18:00:00",""
"7225588","13.5048","0.0002","19.1864","0.0003","7.0567","0.0001","90","","91.4","0.002","90","","1827.91","0.05","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Diethanolammonium Picrate","","- C14 H22 N4 O10 -","- C14 H24 N4 O10 -","- C56 H96 N16 O40 -","4","1","","Khan, Tariq; Asghar, Muhammad Adnan; sun, zhihua; ji, chengmin; li, lina; Zhao, Sangen; Luo, Junhua","Temperature-triggered Order-Disorder Phase Transition in Molecular-Ionic Material N-butyldiethanolammonium Picrate Monohydrate","RSC Adv.","2016","","","","","10.1039/C6RA12178K","","","1.54184","CuKα","","0.0433","0.0413","","","0.1129","0.1145","","","","","","1.12","","","","has coordinates","183708","2020-10-21","18:00:00",""
"7225589","13.5233","0.0002","19.2674","0.0002","7.1034","0.0001","90","","91.585","0.001","90","","1850.15","0.04","185","2","185","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H23 N4 O10 -","- C14 H24 N4 O10 -","- C56 H96 N16 O40 -","4","1","","Khan, Tariq; Asghar, Muhammad Adnan; sun, zhihua; ji, chengmin; li, lina; Zhao, Sangen; Luo, Junhua","Temperature-triggered Order-Disorder Phase Transition in Molecular-Ionic Material N-butyldiethanolammonium Picrate Monohydrate","RSC Adv.","2016","","","","","10.1039/C6RA12178K","","","1.54184","CuKα","","0.0623","0.0586","","","0.1583","0.1621","","","","","","1.069","","","","has coordinates,has disorder","183708","2020-10-21","18:00:00",""
"7225590","7.13","0.0012","8.1314","0.0014","9.0571","0.0015","83.381","0.003","71.653","0.003","72.486","0.003","475.18","0.14","130","","130","","","","","","","","","4","P -1","-P 1","2","","","","- C3 H8 N10 O5 -","- C3 H8 N10 O5 -","- C6 H16 N20 O10 -","2","1","","Huang, Haifeng; Shi, Yameng; Li, Ying; Liu, Yanfang; Yang, Jun","Thermally Stable Energetic Salts Based on 3-Nitramino-4-tetrazole-furazan","RSC Adv.","2016","","","","","10.1039/C6RA12109H","","","0.71073","MoKα","","0.0449","0.0377","","","0.0978","0.1034","","","","","","1.082","","","","has coordinates","183709","2020-10-21","18:00:00",""
"7225591","12.6875","0.0004","6.8467","0.0002","33.0184","0.001","90","","95.813","0.002","90","","2853.48","0.15","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C19 H12 F N3 -","- C19 H12 F N3 -","- C152 H96 F8 N24 -","8","2","","Harsha, Kachigere B.; Rangappa, Kanchugarkoppal S.","One-step approach for the synthesis of functionalized quinoxalines mediated by T3P®‒DMSO or T3P® via a tandem oxidation‒condensation or condensation reaction","RSC Adv.","2016","6","62","57154","","10.1039/C6RA03078E","","","1.54178","CuKα","","0.0613","0.0409","","","0.1074","0.1222","","","","","","1.029","","","","has coordinates","192220","2020-10-21","18:00:00",""
"7225592","11.756","0.003","18.059","0.005","23.342","0.006","90","","104.947","0.012","90","","4788","2","293","","293","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C40 H32 Cd Cl2 N4 O4 -","- C40 H32 Cd Cl2 N4 O4 -","- C160 H128 Cd4 Cl8 N16 O16 -","4","1","","Cai, Li-Xuan; Chen, Cheng; Zhang, Ya-Jun; Yang, Xiao-Dong; Zhang, Jie","Photodimerization of an olefin-containing pyridinium-based metal‒organic complex and isomerization of its cyclobutane product upon recrystallization","CrystEngComm","2016","18","38","7347","","10.1039/C6CE00724D","","","0.71073","MoKα","","0.0663","0.0531","","","0.1588","0.1692","","","","","","0.97","","","","has coordinates","187028","2020-10-21","18:00:00",""
"7225593","27.982","0.008","12.703","0.004","16.341","0.005","90","","125.27","0.006","90","","4742","3","293","","293","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C20 H16 Cd Cl2 N2 O2 -","- C20 H16 Cd Cl2 N2 O2 -","- C160 H128 Cd8 Cl16 N16 O16 -","8","1","","Cai, Li-Xuan; Chen, Cheng; Zhang, Ya-Jun; Yang, Xiao-Dong; Zhang, Jie","Photodimerization of an olefin-containing pyridinium-based metal‒organic complex and isomerization of its cyclobutane product upon recrystallization","CrystEngComm","2016","18","38","7347","","10.1039/C6CE00724D","","","0.71073","MoKα","","0.0626","0.0466","","","0.1352","0.1426","","","","","","0.959","","","","has coordinates","187028","2020-10-21","18:00:00",""
"7225594","15.3055","0.0002","6.43674","0.00009","19.516","0.0003","87.279","0.0011","95.5964","0.0017","98.7257","0.0018","1890.31","0.05","173","2","173","2","","","","","","","see text","4","P -1","-P 1","2","sodium benzoate form II","sodium benzoate form II","","- C7 H5 Na O2 -","- C7 H5 Na O2 -","- C84 H60 Na12 O24 -","12","6","","Martin, T. W.; Gorelik, T. E.; Greim, D.; Butterhof, C.; Kolb, U.; Senker, J.; Breu, J.","Microphase separation upon crystallization of small amphiphilic molecules: ‘low’ temperature form II of sodium benzoate (E 211)","CrystEngComm","2016","18","31","5811","","10.1039/C6CE01281G","powder diffraction","","1.54175","CuKα","","","","","","","","","0.0058","2.831","","","","","","","has coordinates","287753","2023-11-23","09:34:45",""
"7225595","4.9955","0.0001","17.1031","0.0004","13.0176","0.0003","90","","100.38","0.002","90","","1094","0.04","294","2","294","1","","","","","","","","5","P 1 c 1","P -2yc","7","","(F2_23 or 11-059)","","- C13 H9 F2 N O -","- C13 H9 F2 N O -","- C52 H36 F8 N4 O4 -","4","2","","Mocilac, P.; Osman, I. A.; Gallagher, J. F.","Short C‒H⋯F interactions involving the 2,5-difluorobenzene group: understanding the role of fluorine in aggregation and complex C‒F/C‒H disorder in a 2 ×6 isomer grid","CrystEngComm","2016","18","30","5764","","10.1039/C6CE00795C","","","0.71073","MoKα","","0.0722","0.0438","","","0.0895","0.0988","","","","","","0.991","","","","has coordinates","185181","2020-10-21","18:00:00",""
"7225596","5.2115","0.0002","6.4193","0.0003","16.1911","0.0007","90","","97.894","0.004","90","","536.53","0.04","294","2","294","2","","","","","","","","5","P 1 c 1","P -2yc","7","","(23_F2 or 10-015)","","- C13 H9 F2 N O -","- C13 H9 F2 N O -","- C26 H18 F4 N2 O2 -","2","1","","Mocilac, P.; Osman, I. A.; Gallagher, J. F.","Short C‒H⋯F interactions involving the 2,5-difluorobenzene group: understanding the role of fluorine in aggregation and complex C‒F/C‒H disorder in a 2 ×6 isomer grid","CrystEngComm","2016","18","30","5764","","10.1039/C6CE00795C","","","0.71073","MoKα","","0.0492","0.0394","","","0.102","0.1061","","","","","","1.033","","","","has coordinates","185181","2020-10-21","18:00:00",""
"7225597","5.5268","0.0003","4.9905","0.0002","19.7058","0.0011","90","","90.665","0.005","90","","543.48","0.05","294","2","294","1","","","","","","","","5","P 1 n 1","P -2yac","7","","(F2_24 or 11-051)","","- C13 H9 F2 N O -","- C13 H9 F2 N O -","- C26 H18 F4 N2 O2 -","2","1","","Mocilac, P.; Osman, I. A.; Gallagher, J. F.","Short C‒H⋯F interactions involving the 2,5-difluorobenzene group: understanding the role of fluorine in aggregation and complex C‒F/C‒H disorder in a 2 ×6 isomer grid","CrystEngComm","2016","18","30","5764","","10.1039/C6CE00795C","","","0.71073","MoKα","","0.1116","0.0347","","","0.0428","0.0514","","","","","","0.767","","","","has coordinates,has disorder","185181","2020-10-21","18:00:00",""
"7225598","5.425","0.0002","7.7256","0.0003","25.4216","0.0008","90","","92.708","0.003","90","","1064.26","0.07","294","2","294","1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","(24-F2 or 10-016)","","- C13 H9 F2 N O -","- C13 H9 F2 N O -","- C52 H36 F8 N4 O4 -","4","1","","Mocilac, P.; Osman, I. A.; Gallagher, J. F.","Short C‒H⋯F interactions involving the 2,5-difluorobenzene group: understanding the role of fluorine in aggregation and complex C‒F/C‒H disorder in a 2 ×6 isomer grid","CrystEngComm","2016","18","30","5764","","10.1039/C6CE00795C","","","0.71073","MoKα","","0.131","0.0477","","","0.0782","0.0941","","","","","","0.837","","","","has coordinates","185181","2020-10-21","18:00:00",""
"7225599","24.4897","0.0016","5.0316","0.0003","8.6187","0.0006","90","","90","","90","","1062.02","0.12","294","2","294","1","","","","","","","","5","P c a 21","P 2c -2ac","29","","(F2_25 or 11-034)","","- C13 H9 F2 N O -","- C13 H9 F2 N O -","- C52 H36 F8 N4 O4 -","4","1","","Mocilac, P.; Osman, I. A.; Gallagher, J. F.","Short C‒H⋯F interactions involving the 2,5-difluorobenzene group: understanding the role of fluorine in aggregation and complex C‒F/C‒H disorder in a 2 ×6 isomer grid","CrystEngComm","2016","18","30","5764","","10.1039/C6CE00795C","","","0.71073","MoKα","","0.0665","0.0591","","","0.1595","0.1675","","","","","","1.07","","","","has coordinates","185181","2020-10-21","18:00:00",""
"7225600","5.185","0.0008","24.767","0.004","8.3089","0.0019","90","","90.206","0.017","90","","1067","0.3","294","2","294","1","","","","","","","","5","P 1 c 1","P -2yc","7","","(25_F2 or 10-017)","","- C13 H9 F2 N O -","- C13 H9 F2 N O -","- C52 H36 F8 N4 O4 -","4","2","","Mocilac, P.; Osman, I. A.; Gallagher, J. F.","Short C‒H⋯F interactions involving the 2,5-difluorobenzene group: understanding the role of fluorine in aggregation and complex C‒F/C‒H disorder in a 2 ×6 isomer grid","CrystEngComm","2016","18","30","5764","","10.1039/C6CE00795C","","","0.71073","MoKα","","0.1036","0.046","","","0.0844","0.0984","","","","","","0.82","","","","has coordinates,has disorder","185181","2020-10-21","18:00:00",""
"7225601","11.0951","0.0003","12.1037","0.0003","16.9753","0.0003","90","","94.195","0.002","90","","2273.54","0.09","294","2","294","1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","(F2_26 or 11-045)","","- C13 H9 F2 N O -","- C13 H9 F2 N O -","- C104 H72 F16 N8 O8 -","8","2","","Mocilac, P.; Osman, I. A.; Gallagher, J. F.","Short C‒H⋯F interactions involving the 2,5-difluorobenzene group: understanding the role of fluorine in aggregation and complex C‒F/C‒H disorder in a 2 ×6 isomer grid","CrystEngComm","2016","18","30","5764","","10.1039/C6CE00795C","","","0.71073","MoKα","","0.105","0.0628","","","0.1476","0.173","","","","","","1.027","","","","has coordinates","185181","2020-10-21","18:00:00",""
"7225602","10.1031","0.0018","21.838","0.003","4.8875","0.0006","90","","90","","90","","1078.3","0.3","294","2","294","1","","","","","","","","5","P n a 21","P 2c -2n","33","","(26_F2 or 11-018)","","- C13 H9 F2 N O -","- C13 H9 F2 N O -","- C52 H36 F8 N4 O4 -","4","1","","Mocilac, P.; Osman, I. A.; Gallagher, J. F.","Short C‒H⋯F interactions involving the 2,5-difluorobenzene group: understanding the role of fluorine in aggregation and complex C‒F/C‒H disorder in a 2 ×6 isomer grid","CrystEngComm","2016","18","30","5764","","10.1039/C6CE00795C","","","0.71073","MoKα","","0.0716","0.0336","","","0.0599","0.0667","","","","","","0.848","","","","has coordinates","185181","2020-10-21","18:00:00",""
"7225603","5.4841","0.0003","7.8068","0.0006","12.6875","0.0005","106.756","0.005","98.878","0.004","90.151","0.005","513.26","0.05","294","2","294","1","","","","","","","","5","P -1","-P 1","2","","(F2_34 or 11-036)","","- C13 H9 F2 N O -","- C13 H9 F2 N O -","- C26 H18 F4 N2 O2 -","2","1","","Mocilac, P.; Osman, I. A.; Gallagher, J. F.","Short C‒H⋯F interactions involving the 2,5-difluorobenzene group: understanding the role of fluorine in aggregation and complex C‒F/C‒H disorder in a 2 ×6 isomer grid","CrystEngComm","2016","18","30","5764","","10.1039/C6CE00795C","","","0.71073","MoKα","","0.0463","0.0409","","","0.1122","0.1174","","","","","","1.042","","","","has coordinates","185181","2020-10-21","18:00:00",""
"7225604","5.4519","0.0002","7.7415","0.0005","12.9335","0.0007","106.965","0.005","100.535","0.004","90.213","0.004","512.37","0.05","294","2","294","1","","","","","","","","5","P -1","-P 1","2","","(34_F2 or 10-019)","","- C13 H9 F2 N O -","- C13 H9 F2 N O -","- C26 H18 F4 N2 O2 -","2","1","","Mocilac, P.; Osman, I. A.; Gallagher, J. F.","Short C‒H⋯F interactions involving the 2,5-difluorobenzene group: understanding the role of fluorine in aggregation and complex C‒F/C‒H disorder in a 2 ×6 isomer grid","CrystEngComm","2016","18","30","5764","","10.1039/C6CE00795C","","","0.71073","MoKα","","0.0412","0.0333","","","0.0955","0.0983","","","","","","1.064","","","","has coordinates","185181","2020-10-21","18:00:00",""
"7225605","10.3601","0.0002","5.1575","0.0001","20.2429","0.0004","90","","103.012","0.002","90","","1053.85","0.04","294","2","294","1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","(F2_35 or 11-035)","","- C13 H9 F2 N O -","- C13 H9 F2 N O -","- C52 H36 F8 N4 O4 -","4","1","","Mocilac, P.; Osman, I. A.; Gallagher, J. F.","Short C‒H⋯F interactions involving the 2,5-difluorobenzene group: understanding the role of fluorine in aggregation and complex C‒F/C‒H disorder in a 2 ×6 isomer grid","CrystEngComm","2016","18","30","5764","","10.1039/C6CE00795C","","","0.71073","MoKα","","0.0384","0.034","","","0.0868","0.09","","","","","","1.042","","","","has coordinates","185181","2020-10-21","18:00:00",""
"7225606","5.1095","0.0001","9.4583","0.0004","22.2306","0.0008","90","","96.284","0.003","90","","1067.89","0.06","294","2","294","1","","","","","","","","5","P 1 n 1","P -2yac","7","","(35_F2 or 10-021)","","- C13 H9 F2 N O -","- C13 H9 F2 N O -","- C52 H36 F8 N4 O4 -","4","2","","Mocilac, P.; Osman, I. A.; Gallagher, J. F.","Short C‒H⋯F interactions involving the 2,5-difluorobenzene group: understanding the role of fluorine in aggregation and complex C‒F/C‒H disorder in a 2 ×6 isomer grid","CrystEngComm","2016","18","30","5764","","10.1039/C6CE00795C","","","0.71073","MoKα","","0.0771","0.0359","","","0.0813","0.0925","","","","","","0.857","","","","has coordinates,has disorder","185181","2020-10-21","18:00:00",""
"7225607","10.377","0.005","10.954","0.005","13.394","0.005","81.382","0.005","86.711","0.005","63.095","0.005","1342.3","1","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H20 N8 O6 Zn -","- C28 H20 N8 O6 Zn -","- C56 H40 N16 O12 Zn2 -","2","1","","Bhattacharya, Biswajit; Maity, Dilip Kumar; Layek, Animesh; Jahiruddin, Sk; Halder, Arijit; Dey, Arka; Ghosh, Saheli; Chowdhury, Chandra; Datta, Ayan; Ray, Partha Pratim; Ghoshal, Debajyoti","Multifunctional mixed ligand metal organic frameworks: X-ray structure, adsorption, luminescence and electrical conductivity with theoretical correlation","CrystEngComm","2016","18","30","5754","","10.1039/C6CE01173J","","","0.71073","MoKα","","0.0465","0.04","","","0.1075","0.1123","","","","","","1.042","","","","has coordinates,has disorder","185182","2020-10-21","18:00:00",""
"7225608","8.0366","0.0001","9.3162","0.0002","12.3132","0.0002","97.715","0.001","108.104","0.001","113.175","0.001","770.05","0.03","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C15 H15 N2 O7 Zn -","- C15 H15 N2 O7 Zn -","- C30 H30 N4 O14 Zn2 -","2","1","","Bhattacharya, Biswajit; Maity, Dilip Kumar; Layek, Animesh; Jahiruddin, Sk; Halder, Arijit; Dey, Arka; Ghosh, Saheli; Chowdhury, Chandra; Datta, Ayan; Ray, Partha Pratim; Ghoshal, Debajyoti","Multifunctional mixed ligand metal organic frameworks: X-ray structure, adsorption, luminescence and electrical conductivity with theoretical correlation","CrystEngComm","2016","18","30","5754","","10.1039/C6CE01173J","","","0.71073","MoKα","","0.0421","0.0377","","","0.1092","0.1124","","","","","","1.075","","","","has coordinates","185182","2020-10-21","18:00:00",""
"7225609","4.8563","0.0007","9.3274","0.0009","20.671","0.003","90","","103.494","0.011","90","","910.5","0.2","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","glycine-DL-tartaric acid (1:1)","glycine-DL-tartaric acid (1:1)","","- C6 H11 N O8 -","- C6 H11 N O8 -","- C24 H44 N4 O32 -","4","1","","Losev, E. A.; Zakharov, B. A.; Boldyreva, E. V.","Polymorphic transformations in glycine co-crystals at low temperature and high pressure: two new examples as a follow-up to a glycine‒glutaric acid study","CrystEngComm","2016","18","31","5869","","10.1039/C6CE00561F","","","0.71073","MoKα","","0.0774","0.0341","","","0.08","0.0957","","","","","","0.87","","","","has coordinates","185253","2020-10-21","18:00:00",""
"7225610","4.8492","0.0008","9.3222","0.0011","20.646","0.003","90","","103.324","0.013","90","","908.2","0.2","275","2","275","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","glycine-DL-tartaric acid (1:1)","glycine-DL-tartaric acid (1:1)","","- C6 H11 N O8 -","- C6 H11 N O8 -","- C24 H44 N4 O32 -","4","1","","Losev, E. A.; Zakharov, B. A.; Boldyreva, E. V.","Polymorphic transformations in glycine co-crystals at low temperature and high pressure: two new examples as a follow-up to a glycine‒glutaric acid study","CrystEngComm","2016","18","31","5869","","10.1039/C6CE00561F","","","0.71073","MoKα","","0.1","0.0351","","","0.0785","0.1048","","","","","","0.843","","","","has coordinates","185253","2020-10-21","18:00:00",""
"7225611","4.8433","0.0007","9.3162","0.001","20.618","0.003","90","","103.172","0.012","90","","905.8","0.2","250","2","250","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","glycine-DL-tartaric acid (1:1)","glycine-DL-tartaric acid (1:1)","","- C6 H11 N O8 -","- C6 H11 N O8 -","- C24 H44 N4 O32 -","4","1","","Losev, E. A.; Zakharov, B. A.; Boldyreva, E. V.","Polymorphic transformations in glycine co-crystals at low temperature and high pressure: two new examples as a follow-up to a glycine‒glutaric acid study","CrystEngComm","2016","18","31","5869","","10.1039/C6CE00561F","","","0.71073","MoKα","","0.0952","0.0377","","","0.0865","0.1155","","","","","","0.9","","","","has coordinates","185253","2020-10-21","18:00:00",""
"7225612","4.8349","0.0007","9.3138","0.001","20.579","0.003","90","","103.032","0.012","90","","902.8","0.2","225","2","225","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","glycine-DL-tartaric acid (1:1)","glycine-DL-tartaric acid (1:1)","","- C6 H11 N O8 -","- C6 H11 N O8 -","- C24 H44 N4 O32 -","4","1","","Losev, E. A.; Zakharov, B. A.; Boldyreva, E. V.","Polymorphic transformations in glycine co-crystals at low temperature and high pressure: two new examples as a follow-up to a glycine‒glutaric acid study","CrystEngComm","2016","18","31","5869","","10.1039/C6CE00561F","","","0.71073","MoKα","","0.0828","0.0358","","","0.0786","0.0964","","","","","","0.874","","","","has coordinates","185253","2020-10-21","18:00:00",""
"7225613","4.8273","0.0007","9.3086","0.0009","20.535","0.003","90","","102.85","0.011","90","","899.6","0.2","200","2","200","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","glycine-DL-tartaric acid (1:1)","glycine-DL-tartaric acid (1:1)","","- C6 H11 N O8 -","- C6 H11 N O8 -","- C24 H44 N4 O32 -","4","1","","Losev, E. A.; Zakharov, B. A.; Boldyreva, E. V.","Polymorphic transformations in glycine co-crystals at low temperature and high pressure: two new examples as a follow-up to a glycine‒glutaric acid study","CrystEngComm","2016","18","31","5869","","10.1039/C6CE00561F","","","0.71073","MoKα","","0.0839","0.0357","","","0.0815","0.1034","","","","","","0.939","","","","has coordinates","185253","2020-10-21","18:00:00",""
"7225614","4.8221","0.0006","9.3052","0.0009","20.493","0.003","90","","102.666","0.01","90","","897.2","0.2","175","2","175","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","glycine-DL-tartaric acid (1:1)","glycine-DL-tartaric acid (1:1)","","- C6 H11 N O8 -","- C6 H11 N O8 -","- C24 H44 N4 O32 -","4","1","","Losev, E. A.; Zakharov, B. A.; Boldyreva, E. V.","Polymorphic transformations in glycine co-crystals at low temperature and high pressure: two new examples as a follow-up to a glycine‒glutaric acid study","CrystEngComm","2016","18","31","5869","","10.1039/C6CE00561F","","","0.71073","MoKα","","0.0838","0.0362","","","0.0863","0.116","","","","","","0.972","","","","has coordinates","185253","2020-10-21","18:00:00",""
"7225615","4.8165","0.0006","9.3035","0.0008","20.45","0.003","90","","102.5","0.01","90","","894.65","0.19","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","glycine-DL-tartaric acid (1:1)","glycine-DL-tartaric acid (1:1)","","- C6 H11 N O8 -","- C6 H11 N O8 -","- C24 H44 N4 O32 -","4","1","","Losev, E. A.; Zakharov, B. A.; Boldyreva, E. V.","Polymorphic transformations in glycine co-crystals at low temperature and high pressure: two new examples as a follow-up to a glycine‒glutaric acid study","CrystEngComm","2016","18","31","5869","","10.1039/C6CE00561F","","","0.71073","MoKα","","0.0752","0.0354","","","0.0836","0.1057","","","","","","0.983","","","","has coordinates","185253","2020-10-21","18:00:00",""
"7225616","4.8107","0.0006","9.3013","0.0008","20.411","0.003","90","","102.337","0.01","90","","892.22","0.19","125","2","125","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","glycine-DL-tartaric acid (1:1)","glycine-DL-tartaric acid (1:1)","","- C6 H11 N O8 -","- C6 H11 N O8 -","- C24 H44 N4 O32 -","4","1","","Losev, E. A.; Zakharov, B. A.; Boldyreva, E. V.","Polymorphic transformations in glycine co-crystals at low temperature and high pressure: two new examples as a follow-up to a glycine‒glutaric acid study","CrystEngComm","2016","18","31","5869","","10.1039/C6CE00561F","","","0.71073","MoKα","","0.0744","0.0378","","","0.0892","0.1116","","","","","","1.013","","","","has coordinates","185253","2020-10-21","18:00:00",""
"7225617","4.8067","0.0006","9.3033","0.0008","20.367","0.002","90","","102.159","0.01","90","","890.34","0.16","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","glycine-DL-tartaric acid (1:1)","glycine-DL-tartaric acid (1:1)","","- C6 H11 N O8 -","- C6 H11 N O8 -","- C24 H44 N4 O32 -","4","1","","Losev, E. A.; Zakharov, B. A.; Boldyreva, E. V.","Polymorphic transformations in glycine co-crystals at low temperature and high pressure: two new examples as a follow-up to a glycine‒glutaric acid study","CrystEngComm","2016","18","31","5869","","10.1039/C6CE00561F","","","0.71073","MoKα","","0.0735","0.0392","","","0.0982","0.1264","","","","","","1.063","","","","has coordinates","185253","2020-10-21","18:00:00",""
"7225618","8.133","0.0011","11.3031","0.0013","23.884","0.004","90","","90","","90","","2195.6","0.5","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","glycine-phthalic acid (1:1)","glycine-phthalic acid (1:1)","","- C10 H11 N O6 -","- C10 H11 N O6 -","- C80 H88 N8 O48 -","8","1","","Losev, E. A.; Zakharov, B. A.; Boldyreva, E. V.","Polymorphic transformations in glycine co-crystals at low temperature and high pressure: two new examples as a follow-up to a glycine‒glutaric acid study","CrystEngComm","2016","18","31","5869","","10.1039/C6CE00561F","","","0.71073","MoKα","","0.1025","0.0538","","","0.1338","0.1783","","","","","","0.943","","","","has coordinates","185253","2020-10-21","18:00:00",""
"7225619","8.1071","0.0011","11.3252","0.0012","23.827","0.004","90","","90","","90","","2187.7","0.5","275","2","275","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","glycine-phthalic acid (1:1)","glycine-phthalic acid (1:1)","","- C10 H11 N O6 -","- C10 H11 N O6 -","- C80 H88 N8 O48 -","8","1","","Losev, E. A.; Zakharov, B. A.; Boldyreva, E. V.","Polymorphic transformations in glycine co-crystals at low temperature and high pressure: two new examples as a follow-up to a glycine‒glutaric acid study","CrystEngComm","2016","18","31","5869","","10.1039/C6CE00561F","","","0.71073","MoKα","","0.0807","0.0399","","","0.0884","0.1078","","","","","","0.923","","","","has coordinates","185253","2020-10-21","18:00:00",""
"7225620","8.0808","0.0011","11.3449","0.0012","23.766","0.004","90","","90","","90","","2178.8","0.5","250","2","250","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","glycine-phthalic acid (1:1)","glycine-phthalic acid (1:1)","","- C10 H11 N O6 -","- C10 H11 N O6 -","- C80 H88 N8 O48 -","8","1","","Losev, E. A.; Zakharov, B. A.; Boldyreva, E. V.","Polymorphic transformations in glycine co-crystals at low temperature and high pressure: two new examples as a follow-up to a glycine‒glutaric acid study","CrystEngComm","2016","18","31","5869","","10.1039/C6CE00561F","","","0.71073","MoKα","","0.0804","0.0405","","","0.0944","0.1189","","","","","","0.984","","","","has coordinates","185253","2020-10-21","18:00:00",""
"7225621","8.0565","0.001","11.3647","0.0012","23.719","0.004","90","","90","","90","","2171.7","0.5","225","2","225","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","glycine-phthalic acid (1:1)","glycine-phthalic acid (1:1)","","- C10 H11 N O6 -","- C10 H11 N O6 -","- C80 H88 N8 O48 -","8","1","","Losev, E. A.; Zakharov, B. A.; Boldyreva, E. V.","Polymorphic transformations in glycine co-crystals at low temperature and high pressure: two new examples as a follow-up to a glycine‒glutaric acid study","CrystEngComm","2016","18","31","5869","","10.1039/C6CE00561F","","","0.71073","MoKα","","0.0838","0.0465","","","0.1129","0.1474","","","","","","0.997","","","","has coordinates","185253","2020-10-21","18:00:00",""
"7225622","8.0324","0.001","11.3875","0.0011","23.665","0.003","90","","90","","90","","2164.6","0.4","200","2","200","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","glycine-phthalic acid (1:1)","glycine-phthalic acid (1:1)","","- C10 H11 N O6 -","- C10 H11 N O6 -","- C80 H88 N8 O48 -","8","1","","Losev, E. A.; Zakharov, B. A.; Boldyreva, E. V.","Polymorphic transformations in glycine co-crystals at low temperature and high pressure: two new examples as a follow-up to a glycine‒glutaric acid study","CrystEngComm","2016","18","31","5869","","10.1039/C6CE00561F","","","0.71073","MoKα","","0.0818","0.0491","","","0.124","0.1581","","","","","","1.019","","","","has coordinates","185253","2020-10-21","18:00:00",""
"7225623","8.0056","0.0009","11.4027","0.0011","23.615","0.003","90","","90","","90","","2155.7","0.4","175","2","175","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","glycine-phthalic acid (1:1)","glycine-phthalic acid (1:1)","","- C10 H11 N O6 -","- C10 H11 N O6 -","- C80 H88 N8 O48 -","8","1","","Losev, E. A.; Zakharov, B. A.; Boldyreva, E. V.","Polymorphic transformations in glycine co-crystals at low temperature and high pressure: two new examples as a follow-up to a glycine‒glutaric acid study","CrystEngComm","2016","18","31","5869","","10.1039/C6CE00561F","","","0.71073","MoKα","","0.0864","0.0565","","","0.1477","0.1754","","","","","","1.016","","","","has coordinates","185253","2020-10-21","18:00:00",""
"7225624","7.9837","0.001","11.4209","0.0012","23.589","0.003","90","","90","","90","","2150.9","0.4","150","2","150","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","glycine-phthalic acid (1:1)","glycine-phthalic acid (1:1)","","- C10 H11 N O6 -","- C10 H11 N O6 -","- C80 H88 N8 O48 -","8","1","","Losev, E. A.; Zakharov, B. A.; Boldyreva, E. V.","Polymorphic transformations in glycine co-crystals at low temperature and high pressure: two new examples as a follow-up to a glycine‒glutaric acid study","CrystEngComm","2016","18","31","5869","","10.1039/C6CE00561F","","","0.71073","MoKα","","0.0735","0.0432","","","0.104","0.1174","","","","","","0.927","","","","has coordinates","185253","2020-10-21","18:00:00",""
"7225625","7.9621","0.001","11.4304","0.0013","23.548","0.004","90","","90","","90","","2143.1","0.5","125","2","125","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","glycine-phthalic acid (1:1)","glycine-phthalic acid (1:1)","","- C10 H11 N O6 -","- C10 H11 N O6 -","- C80 H88 N8 O48 -","8","1","","Losev, E. A.; Zakharov, B. A.; Boldyreva, E. V.","Polymorphic transformations in glycine co-crystals at low temperature and high pressure: two new examples as a follow-up to a glycine‒glutaric acid study","CrystEngComm","2016","18","31","5869","","10.1039/C6CE00561F","","","0.71073","MoKα","","0.0759","0.0423","","","0.095","0.1066","","","","","","0.889","","","","has coordinates","185253","2020-10-21","18:00:00",""
"7225626","7.9445","0.0011","11.4431","0.0014","23.524","0.004","90","","90","","90","","2138.6","0.5","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","glycine-phthalic acid (1:1)","glycine-phthalic acid (1:1)","","- C10 H11 N O6 -","- C10 H11 N O6 -","- C80 H88 N8 O48 -","8","1","","Losev, E. A.; Zakharov, B. A.; Boldyreva, E. V.","Polymorphic transformations in glycine co-crystals at low temperature and high pressure: two new examples as a follow-up to a glycine‒glutaric acid study","CrystEngComm","2016","18","31","5869","","10.1039/C6CE00561F","","","0.71073","MoKα","","0.0858","0.0458","","","0.1015","0.1151","","","","","","0.894","","","","has coordinates","185253","2020-10-21","18:00:00",""
"7225627","7.8988","0.0008","11.3424","0.0012","23.327","0.01","90","","90","","90","","2089.9","0.9","293","2","293","2","500000","","500000","","","","","4","P b c a","-P 2ac 2ab","61","glycine-phthalic acid (1:1)","glycine-phthalic acid (1:1)","","- C10 H11 N O6 -","- C10 H11 N O6 -","- C80 H88 N8 O48 -","8","1","","Losev, E. A.; Zakharov, B. A.; Boldyreva, E. V.","Polymorphic transformations in glycine co-crystals at low temperature and high pressure: two new examples as a follow-up to a glycine‒glutaric acid study","CrystEngComm","2016","18","31","5869","","10.1039/C6CE00561F","","","0.71073","MoKα","","0.1999","0.0775","","","0.1747","0.2431","","","","","","1.021","","","","has coordinates","185253","2020-10-21","18:00:00",""
"7225628","4.8316","0.0003","9.291","0.002","20.4354","0.0015","90","","102.972","0.006","90","","893.9","0.2","293","2","293","2","100000","","100000","","","","","4","P 1 21/c 1","-P 2ybc","14","glycine-DL-tartaric acid (1:1)","glycine-DL-tartaric acid (1:1)","","- C6 H11 N O8 -","- C6 H11 N O8 -","- C24 H44 N4 O32 -","4","1","","Losev, E. A.; Zakharov, B. A.; Boldyreva, E. V.","Polymorphic transformations in glycine co-crystals at low temperature and high pressure: two new examples as a follow-up to a glycine‒glutaric acid study","CrystEngComm","2016","18","31","5869","","10.1039/C6CE00561F","","","0.71073","MoKα","","0.132","0.0619","","","0.1419","0.1915","","","","","","0.93","","","","has coordinates","185253","2020-10-21","18:00:00",""
"7225629","4.854","0.0004","9.3349","0.0011","19.2555","0.0015","98.866","0.008","92.311","0.006","96.887","0.008","854.31","0.14","293","2","293","2","400000","","400000","","","","","4","P -1","-P 1","2","glycine-DL-tartaric acid (1:1)","glycine-DL-tartaric acid (1:1)","","- C6 H11 N O8 -","- C6 H11 N O8 -","- C24 H44 N4 O32 -","4","2","","Losev, E. A.; Zakharov, B. A.; Boldyreva, E. V.","Polymorphic transformations in glycine co-crystals at low temperature and high pressure: two new examples as a follow-up to a glycine‒glutaric acid study","CrystEngComm","2016","18","31","5869","","10.1039/C6CE00561F","","","0.71073","MoKα","","0.1605","0.1012","","","0.2496","0.2992","","","","","","1.057","","","","has coordinates","185253","2020-10-21","18:00:00",""
"7225630","4.8193","0.0003","9.2205","0.0012","18.9807","0.0013","99.01","0.008","93.373","0.006","96.474","0.008","825.2","0.13","293","2","293","2","1010000","","1010000","","","","","4","P -1","-P 1","2","glycine-DL-tartaric acid (1:1)","glycine-DL-tartaric acid (1:1)","","- C6 H11 N O8 -","- C6 H11 N O8 -","- C24 H44 N4 O32 -","4","2","","Losev, E. A.; Zakharov, B. A.; Boldyreva, E. V.","Polymorphic transformations in glycine co-crystals at low temperature and high pressure: two new examples as a follow-up to a glycine‒glutaric acid study","CrystEngComm","2016","18","31","5869","","10.1039/C6CE00561F","","","0.71073","MoKα","","0.1571","0.0995","","","0.2501","0.3045","","","","","","1.063","","","","has coordinates","185253","2020-10-21","18:00:00",""
"7225631","4.8011","0.0003","9.1664","0.0013","18.8557","0.0016","99.072","0.009","93.873","0.006","96.313","0.008","811.42","0.15","293","2","293","2","1480000","","1010000","","","","","4","P -1","-P 1","2","glycine-DL-tartaric acid (1:1)","glycine-DL-tartaric acid (1:1)","","- C6 H11 N O8 -","- C6 H11 N O8 -","- C24 H44 N4 O32 -","4","2","","Losev, E. A.; Zakharov, B. A.; Boldyreva, E. V.","Polymorphic transformations in glycine co-crystals at low temperature and high pressure: two new examples as a follow-up to a glycine‒glutaric acid study","CrystEngComm","2016","18","31","5869","","10.1039/C6CE00561F","","","0.71073","MoKα","","0.1395","0.0623","","","0.1306","0.1527","","","","","","0.91","","","","has coordinates","185253","2020-10-21","18:00:00",""
"7225632","4.7793","0.0003","9.0995","0.0012","18.7215","0.0016","99.175","0.008","94.392","0.006","96.158","0.008","795.48","0.14","293","2","293","2","1960000","","1960000","","","","","4","P -1","-P 1","2","glycine-DL-tartaric acid (1:1)","glycine-DL-tartaric acid (1:1)","","- C6 H11 N O8 -","- C6 H11 N O8 -","- C24 H44 N4 O32 -","4","2","","Losev, E. A.; Zakharov, B. A.; Boldyreva, E. V.","Polymorphic transformations in glycine co-crystals at low temperature and high pressure: two new examples as a follow-up to a glycine‒glutaric acid study","CrystEngComm","2016","18","31","5869","","10.1039/C6CE00561F","","","0.71073","MoKα","","0.1325","0.0896","","","0.2193","0.2573","","","","","","1.03","","","","has coordinates","185253","2020-10-21","18:00:00",""
"7225633","4.7548","0.0003","9.0519","0.001","18.5909","0.0011","99.268","0.007","94.92","0.005","95.865","0.007","781.3","0.11","293","2","293","2","2460000","","2460000","","","","","4","P -1","-P 1","2","glycine-DL-tartaric acid (1:1)","glycine-DL-tartaric acid (1:1)","","- C6 H11 N O8 -","- C6 H11 N O8 -","- C24 H44 N4 O32 -","4","2","","Losev, E. A.; Zakharov, B. A.; Boldyreva, E. V.","Polymorphic transformations in glycine co-crystals at low temperature and high pressure: two new examples as a follow-up to a glycine‒glutaric acid study","CrystEngComm","2016","18","31","5869","","10.1039/C6CE00561F","","","0.71073","MoKα","","0.1369","0.0653","","","0.1322","0.1525","","","","","","0.887","","","","has coordinates","185253","2020-10-21","18:00:00",""
"7225634","4.7294","0.0003","9.015","0.0012","18.4226","0.0014","99.561","0.008","95.475","0.006","94.927","0.008","766.86","0.13","293","2","293","2","3130000","","3130000","","","","","4","P -1","-P 1","2","glycine-DL-tartaric acid (1:1)","glycine-DL-tartaric acid (1:1)","","- C6 H11 N O8 -","- C6 H11 N O8 -","- C24 H44 N4 O32 -","4","2","","Losev, E. A.; Zakharov, B. A.; Boldyreva, E. V.","Polymorphic transformations in glycine co-crystals at low temperature and high pressure: two new examples as a follow-up to a glycine‒glutaric acid study","CrystEngComm","2016","18","31","5869","","10.1039/C6CE00561F","","","0.71073","MoKα","","0.1382","0.0868","","","0.2096","0.2527","","","","","","1.043","","","","has coordinates","185253","2020-10-21","18:00:00",""
"7225635","4.7136","0.0003","8.9774","0.001","18.3305","0.0011","99.633","0.007","95.811","0.005","94.695","0.006","756.94","0.11","293","2","293","2","3570000","","3570000","","","","","4","P -1","-P 1","2","glycine-DL-tartaric acid (1:1)","glycine-DL-tartaric acid (1:1)","","- C6 H11 N O8 -","- C6 H11 N O8 -","- C24 H44 N4 O32 -","4","2","","Losev, E. A.; Zakharov, B. A.; Boldyreva, E. V.","Polymorphic transformations in glycine co-crystals at low temperature and high pressure: two new examples as a follow-up to a glycine‒glutaric acid study","CrystEngComm","2016","18","31","5869","","10.1039/C6CE00561F","","","0.71073","MoKα","","0.1464","0.0943","","","0.2387","0.2875","","","","","","1.083","","","","has coordinates","185253","2020-10-21","18:00:00",""
"7225636","4.7036","0.0003","8.9504","0.0012","18.2696","0.0014","99.64","0.008","96.012","0.006","94.585","0.008","750.37","0.13","293","2","293","2","3980000","","3980000","","","","","4","P -1","-P 1","2","glycine-DL-tartaric acid (1:1)","glycine-DL-tartaric acid (1:1)","","- C6 H11 N O8 -","- C6 H11 N O8 -","- C24 H44 N4 O32 -","4","2","","Losev, E. A.; Zakharov, B. A.; Boldyreva, E. V.","Polymorphic transformations in glycine co-crystals at low temperature and high pressure: two new examples as a follow-up to a glycine‒glutaric acid study","CrystEngComm","2016","18","31","5869","","10.1039/C6CE00561F","","","0.71073","MoKα","","0.1326","0.0829","","","0.2009","0.2423","","","","","","1.073","","","","has coordinates","185253","2020-10-21","18:00:00",""
"7225637","4.6911","0.0003","8.9235","0.0011","18.2045","0.0011","99.652","0.007","96.245","0.005","94.537","0.007","743.12","0.11","293","2","293","2","4400000","","4400000","","","","","4","P -1","-P 1","2","glycine-DL-tartaric acid (1:1)","glycine-DL-tartaric acid (1:1)","","- C6 H11 N O8 -","- C6 H11 N O8 -","- C24 H44 N4 O32 -","4","2","","Losev, E. A.; Zakharov, B. A.; Boldyreva, E. V.","Polymorphic transformations in glycine co-crystals at low temperature and high pressure: two new examples as a follow-up to a glycine‒glutaric acid study","CrystEngComm","2016","18","31","5869","","10.1039/C6CE00561F","","","0.71073","MoKα","","0.1233","0.079","","","0.197","0.2335","","","","","","1.045","","","","has coordinates","185253","2020-10-21","18:00:00",""
"7225638","4.6691","0.0003","8.8675","0.001","18.0795","0.0011","99.614","0.007","96.706","0.005","94.481","0.007","729.34","0.11","293","2","293","2","5310000","","5310000","","","","","4","P -1","-P 1","2","glycine-DL-tartaric acid (1:1)","glycine-DL-tartaric acid (1:1)","","- C6 H11 N O8 -","- C6 H11 N O8 -","- C24 H44 N4 O32 -","4","2","","Losev, E. A.; Zakharov, B. A.; Boldyreva, E. V.","Polymorphic transformations in glycine co-crystals at low temperature and high pressure: two new examples as a follow-up to a glycine‒glutaric acid study","CrystEngComm","2016","18","31","5869","","10.1039/C6CE00561F","","","0.71073","MoKα","","0.1171","0.0709","","","0.1611","0.1964","","","","","","1.032","","","","has coordinates","185253","2020-10-21","18:00:00",""
"7225639","12.0457","0.001","24.685","0.002","13.3843","0.0011","90","","99.531","0.001","90","","3924.9","0.6","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C82 H60 Eu3 N5 O22 -","- C82 H60 Eu3 N5 O22 -","- C164 H120 Eu6 N10 O44 -","2","1","","Yang, Li-Zi; Wang, Jun; Kirillov, Alexander M.; Dou, Wei; Xu, Cong; Fang, Ran; Xu, Cai-Ling; Liu, Wei-Sheng","2D lanthanide MOFs driven by a rigid 3,5-bis(3-carboxy-phenyl)pyridine building block: solvothermal syntheses, structural features, and photoluminescence and sensing properties","CrystEngComm","2016","18","34","6425","","10.1039/C6CE00885B","","","0.71073","MoKα","","0.0692","0.0538","","","0.1245","0.1325","","","","","","1.069","","","","has coordinates,has disorder","186356","2020-10-21","18:00:00",""
"7225640","12.008","0.0003","24.6141","0.0006","13.3586","0.0003","90","","99.442","0.002","90","","3894.86","0.16","173","0.1","173","0.1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C87 H70 N6 O23 Tb3 -","- C87 H70 N6 O23 Tb3 -","- C174 H140 N12 O46 Tb6 -","2","1","","Yang, Li-Zi; Wang, Jun; Kirillov, Alexander M.; Dou, Wei; Xu, Cong; Fang, Ran; Xu, Cai-Ling; Liu, Wei-Sheng","2D lanthanide MOFs driven by a rigid 3,5-bis(3-carboxy-phenyl)pyridine building block: solvothermal syntheses, structural features, and photoluminescence and sensing properties","CrystEngComm","2016","18","34","6425","","10.1039/C6CE00885B","","x-ray","0.71073","MoKα","","0.0443","0.0406","","","0.0878","0.0908","","","","","","1.014","","","","has coordinates","186356","2020-10-21","18:00:00",""
"7225641","12.0744","0.0003","24.653","0.0007","13.3768","0.0003","90","","99.52","0.002","90","","3927.04","0.17","295.06","0.1","295.06","0.1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C87 H70 N6 O23 Sm3 -","- C87 H70 N6 O23 Sm3 -","- C174 H140 N12 O46 Sm6 -","2","1","","Yang, Li-Zi; Wang, Jun; Kirillov, Alexander M.; Dou, Wei; Xu, Cong; Fang, Ran; Xu, Cai-Ling; Liu, Wei-Sheng","2D lanthanide MOFs driven by a rigid 3,5-bis(3-carboxy-phenyl)pyridine building block: solvothermal syntheses, structural features, and photoluminescence and sensing properties","CrystEngComm","2016","18","34","6425","","10.1039/C6CE00885B","","x-ray","0.71","MoKα","","0.0474","0.0408","","","0.083","0.0883","","","","","","1.031","","","","has coordinates","186356","2020-10-21","18:00:00",""
"7225642","11.9691","0.0003","24.5557","0.0007","13.3369","0.0004","90","","99.538","0.003","90","","3865.66","0.19","294.06","0.1","294.06","0.1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C87 H70 Dy3 N6 O23 -","- C87 H70 Dy3 N6 O23 -","- C174 H140 Dy6 N12 O46 -","2","1","","Yang, Li-Zi; Wang, Jun; Kirillov, Alexander M.; Dou, Wei; Xu, Cong; Fang, Ran; Xu, Cai-Ling; Liu, Wei-Sheng","2D lanthanide MOFs driven by a rigid 3,5-bis(3-carboxy-phenyl)pyridine building block: solvothermal syntheses, structural features, and photoluminescence and sensing properties","CrystEngComm","2016","18","34","6425","","10.1039/C6CE00885B","","x-ray","0.71","MoKα","","0.033","0.031","","","0.0664","0.0678","","","","","","1.031","","","","has coordinates","186356","2020-10-21","18:00:00",""
"7225643","12.0505","0.0012","24.708","0.003","13.4026","0.0013","90","","99.519","0.002","90","","3935.6","0.7","296","2","296.15","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C87 H70 Gd3 N6 O23 -","- C87 H70 Gd3 N6 O23 -","- C174 H140 Gd6 N12 O46 -","2","1","","Yang, Li-Zi; Wang, Jun; Kirillov, Alexander M.; Dou, Wei; Xu, Cong; Fang, Ran; Xu, Cai-Ling; Liu, Wei-Sheng","2D lanthanide MOFs driven by a rigid 3,5-bis(3-carboxy-phenyl)pyridine building block: solvothermal syntheses, structural features, and photoluminescence and sensing properties","CrystEngComm","2016","18","34","6425","","10.1039/C6CE00885B","","","0.71073","MoKα","","0.0576","0.0429","","","0.069","0.0753","","","","","","0.967","","","","has coordinates,has disorder","186356","2020-10-21","18:00:00",""
"7225644","9.5598","0.0006","9.6393","0.0007","18.0624","0.0012","75.207","0.006","81.884","0.006","72.871","0.006","1533.97","0.19","290.5","0.9","290.5","0.9","","","","","","","","4","P -1","-P 1","2","","","","- C17 H17 Br O2 -","- C17 H17 Br O2 -","- C68 H68 Br4 O8 -","4","2","","Chen, Dao-Qian; Guo, Chun-Huan; Zhang, Heng-Rui; Jin, Dong-Po; Li, Xue-Song; Gao, Pin; Wu, Xin-Xing; Liu, Xue-Yuan; Liang, Yong-Min","A metal-free transformation of alkynes to carbonyls directed by remote OH group","Green Chem.","2016","18","15","4176","","10.1039/C6GC01141A","","x-ray","0.71","MoKα","","0.0911","0.0673","","","0.1682","0.1845","","","","","","1.05","","","","has coordinates","185557","2020-10-21","18:00:00",""
"7225645","15.8817","0.0011","17.5053","0.0015","17.8702","0.0014","90","","90","","90","","4968.2","0.7","290","2","293","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C20 H21 Cd N4 O7.5 -","- C20 H21 Cd N4 O7.5 -","- C160 H168 Cd8 N32 O60 -","8","1","","Gao, Song; Fan, Rui Qing; Wang, Xin Ming; Wei, Li Guo; Song, Yang; Du, Xi; Xing, Kai; Wang, Ping; Yang, Yu Lin","Thermally-induced single-crystal-to-single-crystal transformations from a 2D two-fold interpenetrating square lattice layer to a 3D four-fold interpenetrating diamond framework and its application in dye-sensitized solar cells.","Physical chemistry chemical physics : PCCP","2016","18","28","19001","19010","10.1039/c6cp02530g","","","0.71073","MoKα","","0.1087","0.0875","","","0.1531","0.1917","","","","","","1.043","","","","has coordinates","185673","2020-10-21","18:00:00",""
"7225646","13.846","0.003","16.556","0.003","8.239","0.0016","90","","90","","90","","1888.7","0.6","293","2","293","2","","","","","","","","5","P n n a","-P 2a 2bc","52","","","","- C20 H14 Cd N4 O4 -","- C20 H14 Cd N4 O4 -","- C80 H56 Cd4 N16 O16 -","4","0.5","","Gao, Song; Fan, Rui Qing; Wang, Xin Ming; Wei, Li Guo; Song, Yang; Du, Xi; Xing, Kai; Wang, Ping; Yang, Yu Lin","Thermally-induced single-crystal-to-single-crystal transformations from a 2D two-fold interpenetrating square lattice layer to a 3D four-fold interpenetrating diamond framework and its application in dye-sensitized solar cells.","Physical chemistry chemical physics : PCCP","2016","18","28","19001","19010","10.1039/c6cp02530g","","","0.71073","MoKα","","0.0419","0.0318","","","0.0816","0.0865","","","","","","1.06","","","","has coordinates","185673","2020-10-21","18:00:00",""
"7225647","17.8431","0.001","7.6498","0.0004","10.3003","0.0005","90","","107.903","0.006","90","","1337.87","0.13","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C10 H12 Cl2 Cu O6 -","- C10 H12 Cl2 Cu O6 -","- C40 H48 Cl8 Cu4 O24 -","4","0.5","","Juric, Marijana; Molcanov, Kresimir; Zilic, Dijana; Kojic-Prodic, Biserka","From mononuclear to linear one-dimensional coordination species of copper(II)-chloranilate: design and characterization","RSC Adv.","2016","","","","","10.1039/C6RA13809H","","x-ray","1.54184","CuKα","","","0.0479","","","","0.1452","","","","","","1.146","","","","has coordinates","183878","2020-10-21","18:00:00",""
"7225648","9.3314","0.0005","9.488","0.0004","10.3517","0.0006","80.069","0.004","89.845","0.004","66.524","0.005","825.83","0.08","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C28 H18 Cl6 Cu2 N2 O16 -","- C28 H18 Cl6 Cu2 N2 O16 -","- C28 H18 Cl6 Cu2 N2 O16 -","1","0.5","","Juric, Marijana; Molcanov, Kresimir; Zilic, Dijana; Kojic-Prodic, Biserka","From mononuclear to linear one-dimensional coordination species of copper(II)-chloranilate: design and characterization","RSC Adv.","2016","","","","","10.1039/C6RA13809H","","x-ray","1.54179","CuKα","","","0.0356","","","","0.1053","","","","","","1.048","","","","has coordinates","183878","2020-10-21","18:00:00",""
"7225649","7.5779","0.0003","8.2261","0.0004","16.7585","0.0008","90","","94.337","0.004","90","","1041.68","0.08","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C8 H3 Cl2 Cu N O4 -","- C8 H3 Cl2 Cu N O4 -","- C32 H12 Cl8 Cu4 N4 O16 -","4","1","","Juric, Marijana; Molcanov, Kresimir; Zilic, Dijana; Kojic-Prodic, Biserka","From mononuclear to linear one-dimensional coordination species of copper(II)-chloranilate: design and characterization","RSC Adv.","2016","","","","","10.1039/C6RA13809H","","x-ray","1.54184","CuKα","","","0.0444","","","","0.1292","","","","","","1.06","","","","has coordinates","183878","2020-10-21","18:00:00",""
"7225650","8.0866","0.0006","4.8324","0.0004","12.9148","0.0009","90","","108.388","0.008","90","","478.91","0.07","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C6 H4 Cl2 Cu O6 -","- C6 H4 Cl2 Cu O6 -","- C12 H8 Cl4 Cu2 O12 -","2","0.5","","Juric, Marijana; Molcanov, Kresimir; Zilic, Dijana; Kojic-Prodic, Biserka","From mononuclear to linear one-dimensional coordination species of copper(II)-chloranilate: design and characterization","RSC Adv.","2016","","","","","10.1039/C6RA13809H","","x-ray","1.54179","CuKα","","","0.073","","","","0.1913","","","","","","1.144","","","","has coordinates","183878","2020-10-21","18:00:00",""
"7225651","25.3992","0.0008","8.1066","0.0002","14.2791","0.0004","90","","96.491","0.003","90","","2921.24","0.14","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C12 H8 Cl2 Cu N4 O4 -","- C12 H8 Cl2 Cu N4 O4 -","- C96 H64 Cl16 Cu8 N32 O32 -","8","1","","Juric, Marijana; Molcanov, Kresimir; Zilic, Dijana; Kojic-Prodic, Biserka","From mononuclear to linear one-dimensional coordination species of copper(II)-chloranilate: design and characterization","RSC Adv.","2016","","","","","10.1039/C6RA13809H","","","1.54179","CuKα","","0.0438","0.0353","","","","0.1075","","","","","","1.028","","","","has coordinates","183878","2020-10-21","18:00:00",""
"7225652","8.2635","0.001","8.7473","0.0008","9.1791","0.0007","70.332","0.008","71.57","0.009","67.319","0.01","563.05","0.11","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C18 H14 Cl4 Cu N4 O10 -","- C18 H14 Cl4 Cu N4 O10 -","- C18 H14 Cl4 Cu N4 O10 -","1","0.5","","Juric, Marijana; Molcanov, Kresimir; Zilic, Dijana; Kojic-Prodic, Biserka","From mononuclear to linear one-dimensional coordination species of copper(II)-chloranilate: design and characterization","RSC Adv.","2016","","","","","10.1039/C6RA13809H","","","1.54184","CuKα","","0.0463","0.0429","","","","0.127","","","","","","1.077","","","","has coordinates","183878","2020-10-21","18:00:00",""
"7225653","7.8459","0.0002","23.3803","0.0004","9.4868","0.0002","90","","110.37","0.003","90","","1631.43","0.07","130","2","130","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C15 H18 Bi2 Br11 N3 -","- C15 H18 Bi2 Br11 N3 -","- C30 H36 Bi4 Br22 N6 -","2","0.5","","Adonin, Sergey A.; Perekalin, Dmitry S.; Gorokh, Igor D.; Samsonenko, Denis G.; Sokolov, Maksim Nailyevich; Fedin, Vladimir P.","Heterogeneous bromination of alkenes using Bi(III) polybromide complexes as {Br2} source","RSC Adv.","2016","","","","","10.1039/C6RA10109G","","x-ray","0.71073","MoKα","","0.0319","0.0252","","","0.0532","0.0556","","","","","","1.052","","","","has coordinates","183879","2020-10-21","18:00:00",""
"7225654","14.3139","0.0005","16.859","0.0005","10.2559","0.0004","90","","90","","90","","2474.93","0.15","273","2","273","2","","","","","","","","4","P n a 21","P 2c -2n","33","tertiary amine salt","","","- C21 H35 N7 O6 -","- C21 H35 N7 O6 -","- C84 H140 N28 O24 -","4","1","","Dharmalingam, Sivanesan; Kim, Young Eun; Youn, Min Hye; Park, Ki Tae; Kim, Hak Ju; Nirmala Grace, A.; Jeong, Soon Kwan","The Salt-Based Catalytic Enhancement of CO2 Absorption by a Tertiary Amine Medium","RSC Adv.","2016","","","","","10.1039/C6RA13978G","","","0.71073","MoKα","","0.045","0.038","","","0.0998","0.1074","","","","","","0.755","","","","has coordinates","183880","2020-10-21","18:00:00",""
"7225655","10.392","0.0011","15.7128","0.0016","9.0091","0.001","90","","102.556","0.003","90","","1435.9","0.3","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C16 H8 F3 I N0 O2 -","- C16 H8 F3 I O2 -","- C64 H32 F12 I4 O8 -","4","1","","Ni, Shengyang; Cao, Jia; Mei, Haibo; Han, Jianlin; Li, Shuhua; Pan, Yi","Sunlight-promoted cyclization versus decarboxylation in the reaction of alkynoates with N-iodosuccinimide: easy access to 3-iodocoumarins","Green Chem.","2016","18","14","3935","","10.1039/C6GC01027J","","","0.71073","MoKα","","0.0402","0.0361","","","0.0996","0.1044","","","","","","1.075","","","","has coordinates","185560","2020-10-21","18:00:00",""
"7225656","7.3864","0.0004","12.0203","0.0007","12.5938","0.0007","90","","103.725","0.006","90","","1086.23","0.11","120","2","120","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C9 H16 N4 O -","- C9 H16 N4 O -","- C36 H64 N16 O4 -","4","1","","Zanatta, Marcileia; Girard, Anne-Lise; Marin, Graciane; Ebeling, Gunter; Dos Santos, Francisco P.; Valsecchi, Chiara; Stassen, Hubert; Livotto, Paolo R.; Lewis, William; Dupont, Jairton","Confined water in imidazolium based ionic liquids: a supramolecular guest@host complex case.","Physical chemistry chemical physics : PCCP","2016","18","27","18297","18304","10.1039/c6cp03112a","","x-ray","1.54184","CuKα","","0.0542","0.0509","","","0.1423","0.1456","","","","","","1.06","","","","has coordinates","185666","2020-10-21","18:00:00",""
"7225657","8.84","0.0005","15.0313","0.0009","11.9237","0.0007","90","","111.183","0.001","90","","1477.33","0.15","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","1,5-bis(trifluoromethyl)-3-[dimethylaminophenyl] methylene-2,4-pentanedione","","- C14 H11 F6 N O2 -","- C14 H11 F6 N O2 -","- C56 H44 F24 N4 O8 -","4","1","","Mróz, M M; Benedini, S.; Forni, A.; Botta, C.; Pasini, D.; Cariati, E.; Virgili, T.","Long-living optical gain induced by solvent viscosity in a push-pull molecule.","Physical chemistry chemical physics : PCCP","2016","18","27","18289","18296","10.1039/c6cp02988d","","","0.71073","MoKα","","0.0515","0.042","","","0.1095","0.1188","","","","","","1.035","","","","has coordinates","185667","2020-10-21","18:00:00",""
"7225658","9.0489","0.0007","10.2453","0.0009","10.8052","0.0009","78.224","0.002","65.746","0.002","73.57","0.002","871.59","0.13","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H20 B F4 N -","- C20 H20 B F4 N -","- C40 H40 B2 F8 N2 -","2","1","","Chen, Wei-Chen; Parthasarathy, Gandeepan; Tsai, Chia-Hung; Luo, Ching-Zong; Rajamalli, Pachaiyappan; Cheng, Chien Hong","A Concise Synthesis of Quinolinium, and Biquinolinium Salts and Biquinolines from Benzylic Azides and Alkenes Promoted by Copper(II) Species","RSC Adv.","2016","","","","","10.1039/C6RA11840B","","","0.71073","MoKα","","0.1773","0.083","","","0.2507","0.299","","","","","","0.907","","","","has coordinates,has disorder","183903","2020-10-21","18:00:00",""
"7225659","7.917","0.006","22.675","0.014","25.49","0.02","90","","90","","90","","4576","6","200","2","200","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C32 H24 N2 -","- C32 H24 N2 -","- C256 H192 N16 -","8","1","","Chen, Wei-Chen; Parthasarathy, Gandeepan; Tsai, Chia-Hung; Luo, Ching-Zong; Rajamalli, Pachaiyappan; Cheng, Chien Hong","A Concise Synthesis of Quinolinium, and Biquinolinium Salts and Biquinolines from Benzylic Azides and Alkenes Promoted by Copper(II) Species","RSC Adv.","2016","","","","","10.1039/C6RA11840B","","","0.71073","MoKα","","0.3434","0.0946","","","0.1475","0.2222","","","","","","0.915","","","","has coordinates","183903","2020-10-21","18:00:00",""
"7225660","13.2275","0.0013","12.9049","0.0011","12.2015","0.0011","90","","110.482","0.006","90","","1951.1","0.3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C48 H36 B2 F8 N2 -","- C48 H36 B2 F8 N2 -","- C96 H72 B4 F16 N4 -","2","0.5","","Chen, Wei-Chen; Parthasarathy, Gandeepan; Tsai, Chia-Hung; Luo, Ching-Zong; Rajamalli, Pachaiyappan; Cheng, Chien Hong","A Concise Synthesis of Quinolinium, and Biquinolinium Salts and Biquinolines from Benzylic Azides and Alkenes Promoted by Copper(II) Species","RSC Adv.","2016","","","","","10.1039/C6RA11840B","","","1.54178","CuKα","","0.2009","0.0857","","","0.219","0.2861","","","","","","0.67","","","","has coordinates","183903","2020-10-21","18:00:00",""
"7225661","23.891","0.004","13.986","0.004","14.697","0.003","90","","105.084","0.015","90","","4741.6","1.9","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C50 H32 F10 N6 O2 Zn -","- C49.994 H32 F10 N6 O2 Zn -","- C199.976 H128 F40 N24 O8 Zn4 -","4","0.5","","Jagadeesan, Ramesh; Sujatha, Subramaniam; Arunkumar, Chellaiah","Synthesis, Structure, Electrochemical, DNA Interaction and Antimicrobial Studies of Fluorinated Trans-Dicationic Pyridinium Porphyrins","RSC Adv.","2016","","","","","10.1039/C6RA09148B","","","0.71073","MoKα","","0.0888","0.0545","","","0.1472","0.1754","","","","","","1.041","","","","has coordinates,has disorder","211332","2020-10-21","18:00:00",""
"7225662","9.1236","0.0004","14.0611","0.0007","19.6345","0.001","90","","100.751","0.001","90","","2474.7","0.2","296","2","296","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C48 H30 F16 N6 O8 S2 Zn -","- C48 H30 F16 N6 O8 S2 Zn -","- C96 H60 F32 N12 O16 S4 Zn2 -","2","0.5","","Jagadeesan, Ramesh; Sujatha, Subramaniam; Arunkumar, Chellaiah","Synthesis, Structure, Electrochemical, DNA Interaction and Antimicrobial Studies of Fluorinated Trans-Dicationic Pyridinium Porphyrins","RSC Adv.","2016","","","","","10.1039/C6RA09148B","","","0.71073","MoKα","","0.0841","0.0547","","","0.1371","0.1587","","","","","","1.028","","","","has coordinates","183904","2020-10-21","18:00:00",""
"7225663","13.5879","0.0017","11.0738","0.001","17.13","0.002","90","","113.223","0.004","90","","2368.7","0.5","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C46 H24 F16 N6 O8 S2 -","- C46 H24 F16 N6 O8 S2 -","- C92 H48 F32 N12 O16 S4 -","2","0.5","","Jagadeesan, Ramesh; Sujatha, Subramaniam; Arunkumar, Chellaiah","Synthesis, Structure, Electrochemical, DNA Interaction and Antimicrobial Studies of Fluorinated Trans-Dicationic Pyridinium Porphyrins","RSC Adv.","2016","","","","","10.1039/C6RA09148B","","","0.71073","MoKα","","0.1302","0.0779","","","0.1632","0.2002","","","","","","1.137","","","","has coordinates,has disorder","183904","2020-10-21","18:00:00",""
"7225664","15.113","0.003","10.4895","0.0016","11.628","0.002","90","","112.085","0.009","90","","1708.1","0.5","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C21 H9 F5 N3 -","- C21 H9 F5 N3 -","- C84 H36 F20 N12 -","4","1","","Jagadeesan, Ramesh; Sujatha, Subramaniam; Arunkumar, Chellaiah","Synthesis, Structure, Electrochemical, DNA Interaction and Antimicrobial Studies of Fluorinated Trans-Dicationic Pyridinium Porphyrins","RSC Adv.","2016","","","","","10.1039/C6RA09148B","","","0.71073","MoKα","","0.1741","0.0595","","","0.0718","0.09","","","","","","0.957","","","","has coordinates","183904","2020-10-21","18:00:00",""
"7225665","31.4898","0.0016","6.7009","0.0003","22.5181","0.0012","90","","122.093","0.002","90","","4025.4","0.4","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C42 H26 F10 N6 O4 -","- C42 H18 F10 N6 O4 -","- C168 H72 F40 N24 O16 -","4","0.5","","Jagadeesan, Ramesh; Sujatha, Subramaniam; Arunkumar, Chellaiah","Synthesis, Structure, Electrochemical, DNA Interaction and Antimicrobial Studies of Fluorinated Trans-Dicationic Pyridinium Porphyrins","RSC Adv.","2016","","","","","10.1039/C6RA09148B","","","0.71073","MoKα","","0.0922","0.0518","","","0.1392","0.1735","","","","","","1.051","","","","has coordinates,has disorder","183904","2020-10-21","18:00:00",""
"7225666","10.827","0.0017","13.849","0.002","14.496","0.002","90","","90.488","0.005","90","","2173.5","0.6","113","2","113","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C24 H19 Cl N2 O6 S -","- C24 H19 Cl N2 O6 S -","- C96 H76 Cl4 N8 O24 S4 -","4","1","","Zhao, Hongwu; Chen, Xiao-Qin; Pang, Hai-Liang; Tian, Ting; Li, Bo; song, xiuqing; Meng, Wei; Yang, Zhao; Zhao, Yu-Di; Liu, Yue-Yang","Diastereoselective synthesis of highly functionalized polycyclic benzosultams via tandem cyclisations of cyclic N-sulfonylimines with in situ generated Huisgen 1,4-dipoles","RSC Adv.","2016","","","","","10.1039/C6RA12771A","","","0.71073","MoKα","","0.0312","0.0278","","","0.0752","0.077","","","","","","1.058","","","","has coordinates","183905","2020-10-21","18:00:00",""
"7225667","3.8653","0.0004","11.5522","0.0012","14.4711","0.0014","98.976","0.006","93.377","0.005","91.025","0.006","636.91","0.11","100","2","100","2","","","","","","","commercial","5","P -1","-P 1","2","","","","- C13 H11 Cl2 N O4 -","- C13 H11 Cl2 N O4 -","- C26 H22 Cl4 N2 O8 -","2","1","","Sovago, Ioana; Thomas, Lynne H.; Adam, Martin S.; Capelli, Silvia C.; Wilson, Chick C.; Farrugia, Louis J.","High resolution X-ray and neutron diffraction studies on molecular complexes of chloranilic acid and lutidines","CrystEngComm","2016","18","30","5697","","10.1039/C6CE01065B","","x-ray","0.71073","MoKα","","0.0767","0.0457","","","0.0909","0.098","","","","","","1.019","","","","has coordinates","185184","2020-10-21","18:00:00",""
"7225668","7.6305","0.0002","8.3081","0.0002","8.4348","0.0002","65.839","0.001","80.61","0.002","88.28","0.001","480.94","0.02","100","2","100","2","","","","","","","commercial","5","P -1","-P 1","2","","","","- C20 H20 Cl2 N2 O4 -","- C20 H20 Cl2 N2 O4 -","- C20 H20 Cl2 N2 O4 -","1","0.5","","Sovago, Ioana; Thomas, Lynne H.; Adam, Martin S.; Capelli, Silvia C.; Wilson, Chick C.; Farrugia, Louis J.","High resolution X-ray and neutron diffraction studies on molecular complexes of chloranilic acid and lutidines","CrystEngComm","2016","18","30","5697","","10.1039/C6CE01065B","","x-ray","0.71073","MoKα","","0.0295","0.0266","","","0.0813","0.0828","","","","","","1.063","","","","has coordinates","185184","2020-10-21","18:00:00",""
"7225669","7.6305","0.0002","8.3081","0.0002","8.4348","0.0002","65.839","0.001","80.61","0.002","88.28","0.001","480.94","0.02","100","2","100","2","","","","","","","commercial","5","P -1","-P 1","2","","","","- C20 H20 Cl2 N2 O4 -","- C20 H20 Cl2 N2 O4 -","- C20 H20 Cl2 N2 O4 -","1","0.5","","Sovago, Ioana; Thomas, Lynne H.; Adam, Martin S.; Capelli, Silvia C.; Wilson, Chick C.; Farrugia, Louis J.","High resolution X-ray and neutron diffraction studies on molecular complexes of chloranilic acid and lutidines","CrystEngComm","2016","18","30","5697","","10.1039/C6CE01065B","","x-ray","0.71073","MoKα","","0.021","0.017","","","","0.022","","","","","","1.33","","","","has coordinates","185184","2020-10-21","18:00:00",""
"7225670","5.0687","0.0002","11.2561","0.0004","11.6281","0.0003","96.274","0.002","91.96","0.002","90.609","0.001","659","0.04","100","2","100","2","","","","","","","commercial","5","P -1","-P 1","2","","","","- C13 H11 Cl2 N O4 -","- C13 H11 Cl2 N O4 -","- C26 H22 Cl4 N2 O8 -","2","1","","Sovago, Ioana; Thomas, Lynne H.; Adam, Martin S.; Capelli, Silvia C.; Wilson, Chick C.; Farrugia, Louis J.","High resolution X-ray and neutron diffraction studies on molecular complexes of chloranilic acid and lutidines","CrystEngComm","2016","18","30","5697","","10.1039/C6CE01065B","","x-ray","0.71073","MoKα","","0.0292","0.0247","","","0.0763","0.0786","","","","","","1.039","","","","has coordinates","185184","2020-10-21","18:00:00",""
"7225671","5.0687","0.0002","11.2561","0.0004","11.6281","0.0003","96.274","0.002","91.96","0.002","90.609","0.001","659","0.04","100","2","100","2","","","","","","","commercial","5","P -1","-P 1","2","","","","- C13 H11 Cl2 N O4 -","- C13 H11 Cl2 N O4 -","- C26 H22 Cl4 N2 O8 -","2","1","","Sovago, Ioana; Thomas, Lynne H.; Adam, Martin S.; Capelli, Silvia C.; Wilson, Chick C.; Farrugia, Louis J.","High resolution X-ray and neutron diffraction studies on molecular complexes of chloranilic acid and lutidines","CrystEngComm","2016","18","30","5697","","10.1039/C6CE01065B","","x-ray","0.71073","MoKα","","0.022","0.016","","","","0.02","","","","","","1.204","","","","has coordinates","185184","2020-10-21","18:00:00",""
"7225672","5.0687","0.0002","11.2561","0.0004","11.6281","0.0003","96.274","0.002","91.96","0.002","90.609","0.001","659","0.04","100","2","100","2","","","","","","","commercial","5","P -1","-P 1","2","","","","- C13 H11 Cl2 N O4 -","- C13 H11 Cl2 N O4 -","- C26 H22 Cl4 N2 O8 -","2","1","","Sovago, Ioana; Thomas, Lynne H.; Adam, Martin S.; Capelli, Silvia C.; Wilson, Chick C.; Farrugia, Louis J.","High resolution X-ray and neutron diffraction studies on molecular complexes of chloranilic acid and lutidines","CrystEngComm","2016","18","30","5697","","10.1039/C6CE01065B","","neutron","0.9484","neutron","","0.0399","0.0292","","","0.0592","0.0623","","","","","","1.055","","","","has coordinates","185184","2020-10-21","18:00:00",""
"7225673","7.5644","0.0005","15.7136","0.001","16.6651","0.0011","90","","90","","90","","1980.9","0.2","100","2","100","2","","","","","","","commercial","5","P c a b","-P 2bc 2ac","61","","","","- C20 H20 Cl2 N2 O4 -","- C20 H20 Cl2 N2 O4 -","- C80 H80 Cl8 N8 O16 -","4","0.5","","Sovago, Ioana; Thomas, Lynne H.; Adam, Martin S.; Capelli, Silvia C.; Wilson, Chick C.; Farrugia, Louis J.","High resolution X-ray and neutron diffraction studies on molecular complexes of chloranilic acid and lutidines","CrystEngComm","2016","18","30","5697","","10.1039/C6CE01065B","","x-ray","0.71073","MoKα","","0.0515","0.0368","","","0.1018","0.1079","","","","","","1.035","","","","has coordinates","185184","2020-10-21","18:00:00",""
"7225674","7.5644","0.0005","15.7136","0.001","16.6651","0.0011","90","","90","","90","","1980.9","0.2","100","2","100","2","","","","","","","commercial","5","P c a b","-P 2bc 2ac","61","","","","- C20 H20 Cl2 N2 O4 -","- C20 H20 Cl2 N2 O4 -","- C80 H80 Cl8 N8 O16 -","4","0.5","","Sovago, Ioana; Thomas, Lynne H.; Adam, Martin S.; Capelli, Silvia C.; Wilson, Chick C.; Farrugia, Louis J.","High resolution X-ray and neutron diffraction studies on molecular complexes of chloranilic acid and lutidines","CrystEngComm","2016","18","30","5697","","10.1039/C6CE01065B","","x-ray","0.71073","MoKα","","0.056","0.029","","","","0.028","","","","","","1.447","","","","has coordinates","185184","2020-10-21","18:00:00",""
"7225675","7.7415","0.0002","11.0538","0.0003","15.4495","0.0003","90","","95.514","0.001","90","","1315.94","0.06","100","2","100","2","","","","","","","commercial","5","P 1 21/c 1","-P 2ybc","14","","","","- C13 H11 Cl2 N O4 -","- C13 H11 Cl2 N O4 -","- C52 H44 Cl8 N4 O16 -","4","1","","Sovago, Ioana; Thomas, Lynne H.; Adam, Martin S.; Capelli, Silvia C.; Wilson, Chick C.; Farrugia, Louis J.","High resolution X-ray and neutron diffraction studies on molecular complexes of chloranilic acid and lutidines","CrystEngComm","2016","18","30","5697","","10.1039/C6CE01065B","","x-ray","0.71073","MoKα","","0.0372","0.0274","","","0.0816","0.0849","","","","","","1.047","","","","has coordinates","185184","2020-10-21","18:00:00",""
"7225676","7.7415","0.0002","11.0538","0.0003","15.4495","0.0003","90","","95.514","0.001","90","","1315.94","0.06","100","2","100","2","","","","","","","commercial","5","P 1 21/c 1","-P 2ybc","14","","","","- C13 H11 Cl2 N O4 -","- C13 H11 Cl2 N O4 -","- C52 H44 Cl8 N4 O16 -","4","1","","Sovago, Ioana; Thomas, Lynne H.; Adam, Martin S.; Capelli, Silvia C.; Wilson, Chick C.; Farrugia, Louis J.","High resolution X-ray and neutron diffraction studies on molecular complexes of chloranilic acid and lutidines","CrystEngComm","2016","18","30","5697","","10.1039/C6CE01065B","","x-ray","0.71073","MoKα","","0.032","0.019","","","","0.021","","","","","","1.131","","","","has coordinates","185184","2020-10-21","18:00:00",""
"7225677","7.7415","0.0002","11.0538","0.0003","15.4495","0.0003","90","","95.514","0.001","90","","1315.94","0.06","100","2","100","2","","","","","","","commercial","5","P 1 21/c 1","-P 2ybc","14","","","","- C13 H11 Cl2 N O4 -","- C13 H11 Cl2 N O4 -","- C52 H44 Cl8 N4 O16 -","4","1","","Sovago, Ioana; Thomas, Lynne H.; Adam, Martin S.; Capelli, Silvia C.; Wilson, Chick C.; Farrugia, Louis J.","High resolution X-ray and neutron diffraction studies on molecular complexes of chloranilic acid and lutidines","CrystEngComm","2016","18","30","5697","","10.1039/C6CE01065B","","neutron","0.9484","neutron","","0.0524","0.0378","","","0.0891","0.0941","","","","","","1.103","","","","has coordinates,has disorder","185184","2020-10-21","18:00:00",""
"7225678","8.087","0.0003","11.4214","0.0005","10.3253","0.0004","90","","100.451","0.002","90","","937.87","0.07","100","2","100","2","","","","","","","commercial","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H20 Cl2 N2 O4 -","- C20 H20 Cl2 N2 O4 -","- C40 H40 Cl4 N4 O8 -","2","0.5","","Sovago, Ioana; Thomas, Lynne H.; Adam, Martin S.; Capelli, Silvia C.; Wilson, Chick C.; Farrugia, Louis J.","High resolution X-ray and neutron diffraction studies on molecular complexes of chloranilic acid and lutidines","CrystEngComm","2016","18","30","5697","","10.1039/C6CE01065B","","x-ray","0.71073","MoKα","","0.0303","0.0251","","","0.0816","0.0839","","","","","","1.056","","","","has coordinates","185184","2020-10-21","18:00:00",""
"7225679","8.087","0.0003","11.4214","0.0005","10.3253","0.0004","90","","100.451","0.002","90","","937.87","0.07","100","2","100","2","","","","","","","commercial","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H20 Cl2 N2 O4 -","- C20 H20 Cl2 N2 O4 -","- C40 H40 Cl4 N4 O8 -","2","0.5","","Sovago, Ioana; Thomas, Lynne H.; Adam, Martin S.; Capelli, Silvia C.; Wilson, Chick C.; Farrugia, Louis J.","High resolution X-ray and neutron diffraction studies on molecular complexes of chloranilic acid and lutidines","CrystEngComm","2016","18","30","5697","","10.1039/C6CE01065B","","x-ray","0.71073","MoKα","","0.023","0.015","","","","0.019","","","","","","1.171","","","","has coordinates","185184","2020-10-21","18:00:00",""
"7225680","9.0071","0.0003","9.0326","0.0003","9.0768","0.0003","93.526","0.002","104.359","0.002","110.821","0.002","659.48","0.04","100","2","100","2","","","","","","","commercial","5","P -1","-P 1","2","","","","- C13 H11 Cl2 N O4 -","- C13 H11 Cl2 N O4 -","- C26 H22 Cl4 N2 O8 -","2","1","","Sovago, Ioana; Thomas, Lynne H.; Adam, Martin S.; Capelli, Silvia C.; Wilson, Chick C.; Farrugia, Louis J.","High resolution X-ray and neutron diffraction studies on molecular complexes of chloranilic acid and lutidines","CrystEngComm","2016","18","30","5697","","10.1039/C6CE01065B","","x-ray","0.71073","MoKα","","0.0346","0.0264","","","0.0799","0.083","","","","","","1.038","","","","has coordinates","185184","2020-10-21","18:00:00",""
"7225681","9.0071","0.0003","9.0326","0.0003","9.0768","0.0003","93.526","0.002","104.359","0.002","110.821","0.002","659.48","0.04","100","2","100","2","","","","","","","commercial","5","P -1","-P 1","2","","","","- C13 H11 Cl2 N O4 -","- C13 H11 Cl2 N O4 -","- C26 H22 Cl4 N2 O8 -","2","1","","Sovago, Ioana; Thomas, Lynne H.; Adam, Martin S.; Capelli, Silvia C.; Wilson, Chick C.; Farrugia, Louis J.","High resolution X-ray and neutron diffraction studies on molecular complexes of chloranilic acid and lutidines","CrystEngComm","2016","18","30","5697","","10.1039/C6CE01065B","","x-ray","0.71073","MoKα","","0.029","0.018","","","","0.02","","","","","","1.088","","","","has coordinates","185184","2020-10-21","18:00:00",""
"7225682","9.0071","0.0003","9.0326","0.0003","9.0768","0.0003","93.526","0.002","104.359","0.002","110.821","0.002","659.48","0.04","100","2","100","2","","","","","","","commercial","5","P -1","-P 1","2","","","","- C13 H11 Cl2 N O4 -","- C13 H11 Cl2 N O4 -","- C26 H22 Cl4 N2 O8 -","2","1","","Sovago, Ioana; Thomas, Lynne H.; Adam, Martin S.; Capelli, Silvia C.; Wilson, Chick C.; Farrugia, Louis J.","High resolution X-ray and neutron diffraction studies on molecular complexes of chloranilic acid and lutidines","CrystEngComm","2016","18","30","5697","","10.1039/C6CE01065B","","neutron","0.9484","neutron","","0.0409","0.0337","","","0.0779","0.0808","","","","","","1.106","","","","has coordinates,has disorder","185184","2020-10-21","18:00:00",""
"7225683","7.1427","0.0003","9.3025","0.0004","14.7753","0.0006","90","","94.526","0.002","90","","978.68","0.07","100","2","100","2","","","","","","","commercial","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H20 Cl2 N2 O4 -","- C20 H20 Cl2 N2 O4 -","- C40 H40 Cl4 N4 O8 -","2","0.5","","Sovago, Ioana; Thomas, Lynne H.; Adam, Martin S.; Capelli, Silvia C.; Wilson, Chick C.; Farrugia, Louis J.","High resolution X-ray and neutron diffraction studies on molecular complexes of chloranilic acid and lutidines","CrystEngComm","2016","18","30","5697","","10.1039/C6CE01065B","","x-ray","0.71073","MoKα","","0.0557","0.0348","","","0.0939","0.1011","","","","","","1.017","","","","has coordinates","185184","2020-10-21","18:00:00",""
"7225684","7.14","0.005","9.29","0.005","14.774","0.005","90","0.005","94.463","0.005","90","0.005","977","0.9","100","2","100","2","","","","","","","commercial","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H20 Cl2 N2 O4 -","- C20 H20 Cl2 N2 O4 -","- C40 H40 Cl4 N4 O8 -","2","0.5","","Sovago, Ioana; Thomas, Lynne H.; Adam, Martin S.; Capelli, Silvia C.; Wilson, Chick C.; Farrugia, Louis J.","High resolution X-ray and neutron diffraction studies on molecular complexes of chloranilic acid and lutidines","CrystEngComm","2016","18","30","5697","","10.1039/C6CE01065B","","x-ray","0.71073","MoKα","","0.06","0.028","","","","0.026","","","","","","1.155","","","","has coordinates","185184","2020-10-21","18:00:00",""
"7225685","7.1427","0.0003","9.3025","0.0004","14.7753","0.0006","90","","94.526","0.002","90","","978.68","0.07","100","2","100","2","","","","","","","commercial","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H20 Cl2 N2 O4 -","- C20 H20 Cl2 N2 O4 -","- C40 H40 Cl4 N4 O8 -","2","0.5","","Sovago, Ioana; Thomas, Lynne H.; Adam, Martin S.; Capelli, Silvia C.; Wilson, Chick C.; Farrugia, Louis J.","High resolution X-ray and neutron diffraction studies on molecular complexes of chloranilic acid and lutidines","CrystEngComm","2016","18","30","5697","","10.1039/C6CE01065B","","neutron","0.9484","neutron","","0.1269","0.0888","","","0.223","0.2545","","","","","","0.989","","","","has coordinates","185184","2020-10-21","18:00:00",""
"7225686","10.601","0.0002","5.1679","0.0001","24.3363","0.0004","90","","97.199","0.001","90","","1322.75","0.04","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C13 H11 Cl2 N O4 -","- C13 H11 Cl2 N O4 -","- C52 H44 Cl8 N4 O16 -","4","1","","Sovago, Ioana; Thomas, Lynne H.; Adam, Martin S.; Capelli, Silvia C.; Wilson, Chick C.; Farrugia, Louis J.","High resolution X-ray and neutron diffraction studies on molecular complexes of chloranilic acid and lutidines","CrystEngComm","2016","18","30","5697","","10.1039/C6CE01065B","","x-ray","0.71073","MoKα","","0.0509","0.0328","","","0.0909","0.0965","","","","","","1.02","","","","has coordinates","185184","2020-10-21","18:00:00",""
"7225687","10.601","0.0002","5.1679","0.0001","24.3363","0.0004","90","","97.199","0.001","90","","1322.75","0.04","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C13 H11 Cl2 N O4 -","- C13 H11 Cl2 N O4 -","- C52 H44 Cl8 N4 O16 -","4","1","","Sovago, Ioana; Thomas, Lynne H.; Adam, Martin S.; Capelli, Silvia C.; Wilson, Chick C.; Farrugia, Louis J.","High resolution X-ray and neutron diffraction studies on molecular complexes of chloranilic acid and lutidines","CrystEngComm","2016","18","30","5697","","10.1039/C6CE01065B","","x-ray","0.71073","MoKα","","0.051","0.027","","","","0.024","","","","","","1.094","","","","has coordinates","185184","2020-10-21","18:00:00",""
"7225688","7.0429","0.0002","9.3113","0.0002","14.621","0.0003","90","","90.303","0.001","90","","958.81","0.04","100","2","100","2","","","","","","","commercial","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H20 Cl2 N2 O4 -","- C20 H20 Cl2 N2 O4 -","- C40 H40 Cl4 N4 O8 -","2","0.5","","Sovago, Ioana; Thomas, Lynne H.; Adam, Martin S.; Capelli, Silvia C.; Wilson, Chick C.; Farrugia, Louis J.","High resolution X-ray and neutron diffraction studies on molecular complexes of chloranilic acid and lutidines","CrystEngComm","2016","18","30","5697","","10.1039/C6CE01065B","","x-ray","0.71073","MoKα","","0.0396","0.0333","","","0.1027","0.1065","","","","","","1.07","","","","has coordinates","185184","2020-10-21","18:00:00",""
"7225689","7.0429","0.0002","9.3113","0.0002","14.621","0.0003","90","","90.303","0.001","90","","958.81","0.04","100","2","100","2","","","","","","","commercial","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H20 Cl2 N2 O4 -","- C20 H20 Cl2 N2 O4 -","- C40 H40 Cl4 N4 O8 -","2","0.5","","Sovago, Ioana; Thomas, Lynne H.; Adam, Martin S.; Capelli, Silvia C.; Wilson, Chick C.; Farrugia, Louis J.","High resolution X-ray and neutron diffraction studies on molecular complexes of chloranilic acid and lutidines","CrystEngComm","2016","18","30","5697","","10.1039/C6CE01065B","","x-ray","0.71073","MoKα","","0.034","0.024","","","","0.033","","","","","","2.046","","","","has coordinates","185184","2020-10-21","18:00:00",""
"7225690","11.3192","0.0004","10.2762","0.0004","11.7534","0.0004","90","","100.198","0.002","90","","1345.54","0.08","100","2","100","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C13 H11 Cl2 N O4 -","- C13 H11 Cl2 N O4 -","- C52 H44 Cl8 N4 O16 -","4","1","","Sovago, Ioana; Thomas, Lynne H.; Adam, Martin S.; Capelli, Silvia C.; Wilson, Chick C.; Farrugia, Louis J.","High resolution X-ray and neutron diffraction studies on molecular complexes of chloranilic acid and lutidines","CrystEngComm","2016","18","30","5697","","10.1039/C6CE01065B","","x-ray","0.71073","MoKα","","0.0448","0.0336","","","0.0891","0.0943","","","","","","1.032","","","","has coordinates","185184","2020-10-21","18:00:00",""
"7225691","11.3192","0.0004","10.2762","0.0004","11.7534","0.0004","90","","100.198","0.002","90","","1345.54","0.08","100","2","100","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C13 H11 Cl2 N O4 -","- C13 H11 Cl2 N O4 -","- C52 H44 Cl8 N4 O16 -","4","1","","Sovago, Ioana; Thomas, Lynne H.; Adam, Martin S.; Capelli, Silvia C.; Wilson, Chick C.; Farrugia, Louis J.","High resolution X-ray and neutron diffraction studies on molecular complexes of chloranilic acid and lutidines","CrystEngComm","2016","18","30","5697","","10.1039/C6CE01065B","","x-ray","0.71073","MoKα","","0.043","0.026","","","","0.028","","","","","","1.575","","","","has coordinates","185184","2020-10-21","18:00:00",""
"7225692","7.9413","0.0003","8.901","0.0004","9.0838","0.0003","71.31","0.002","70.358","0.001","76.061","0.002","566.42","0.04","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H28 Cl2 N2 O8 -","- C20 H28 Cl2 N2 O8 -","- C20 H28 Cl2 N2 O8 -","1","0.5","","Sovago, Ioana; Thomas, Lynne H.; Adam, Martin S.; Capelli, Silvia C.; Wilson, Chick C.; Farrugia, Louis J.","High resolution X-ray and neutron diffraction studies on molecular complexes of chloranilic acid and lutidines","CrystEngComm","2016","18","30","5697","","10.1039/C6CE01065B","","x-ray","0.71073","MoKα","","0.0354","0.0289","","","0.0872","0.0903","","","","","","1.029","","","","has coordinates","185184","2020-10-21","18:00:00",""
"7225693","10.036","0.002","7.6591","0.0017","13.948","0.003","90","","99.62","0.014","90","","1057.1","0.4","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H24 Cl2 N2 O6 -","- C20 H24 Cl2 N2 O6 -","- C40 H48 Cl4 N4 O12 -","2","0.5","","Sovago, Ioana; Thomas, Lynne H.; Adam, Martin S.; Capelli, Silvia C.; Wilson, Chick C.; Farrugia, Louis J.","High resolution X-ray and neutron diffraction studies on molecular complexes of chloranilic acid and lutidines","CrystEngComm","2016","18","30","5697","","10.1039/C6CE01065B","","x-ray","0.71073","MoKα","","0.0668","0.0429","","","0.0909","0.0991","","","","","","1.04","","","","has coordinates","185184","2020-10-21","18:00:00",""
"7225694","10.6104","0.0004","17.7659","0.0007","12.3211","0.0005","90","","108.681","0.001","90","","2200.21","0.15","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H26 Cl2 N2 O7 -","- C20 H26 Cl2 N2 O7 -","- C80 H104 Cl8 N8 O28 -","4","1","","Sovago, Ioana; Thomas, Lynne H.; Adam, Martin S.; Capelli, Silvia C.; Wilson, Chick C.; Farrugia, Louis J.","High resolution X-ray and neutron diffraction studies on molecular complexes of chloranilic acid and lutidines","CrystEngComm","2016","18","30","5697","","10.1039/C6CE01065B","","x-ray","0.71073","MoKα","","0.0438","0.0334","","","0.0962","0.1008","","","","","","1.046","","","","has coordinates","185184","2020-10-21","18:00:00",""
"7225695","8.0154","0.0003","9.3997","0.0003","11.8524","0.0005","71.632","0.002","88.044","0.002","86.436","0.002","845.75","0.06","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H12 Cl3 N O6 -","- C16 H12 Cl3 N O6 -","- C32 H24 Cl6 N2 O12 -","2","1","","Sovago, Ioana; Thomas, Lynne H.; Adam, Martin S.; Capelli, Silvia C.; Wilson, Chick C.; Farrugia, Louis J.","High resolution X-ray and neutron diffraction studies on molecular complexes of chloranilic acid and lutidines","CrystEngComm","2016","18","30","5697","","10.1039/C6CE01065B","","x-ray","0.71073","MoKα","","0.0452","0.0332","","","0.0775","0.0814","","","","","","1.04","","","","has coordinates","185184","2020-10-21","18:00:00",""
"7225696","18.3393","0.0005","4.9542","0.0001","19.8433","0.0005","90","","110.869","0.001","90","","1684.62","0.07","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H12 Cl3 N O6 -","- C16 H12 Cl3 N O6 -","- C64 H48 Cl12 N4 O24 -","4","1","","Sovago, Ioana; Thomas, Lynne H.; Adam, Martin S.; Capelli, Silvia C.; Wilson, Chick C.; Farrugia, Louis J.","High resolution X-ray and neutron diffraction studies on molecular complexes of chloranilic acid and lutidines","CrystEngComm","2016","18","30","5697","","10.1039/C6CE01065B","","x-ray","0.71073","MoKα","","0.0267","0.0239","","","0.0644","0.0652","","","","","","1.064","","","","has coordinates","185184","2020-10-21","18:00:00",""
"7225697","8.4477","0.0003","10.5046","0.0003","18.2834","0.0004","99.084","0.0016","93.6611","0.0017","91.1015","0.0012","1598.14","0.08","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C29 H23 Cl5 N2 O10 -","- C29 H23 Cl5 N2 O10 -","- C58 H46 Cl10 N4 O20 -","2","1","","Sovago, Ioana; Thomas, Lynne H.; Adam, Martin S.; Capelli, Silvia C.; Wilson, Chick C.; Farrugia, Louis J.","High resolution X-ray and neutron diffraction studies on molecular complexes of chloranilic acid and lutidines","CrystEngComm","2016","18","30","5697","","10.1039/C6CE01065B","","x-ray","0.71073","MoKα","","0.0583","0.0336","","","0.0816","0.0863","","","","","","1.05","","","","has coordinates","185184","2020-10-21","18:00:00",""
"7225698","11.7516","0.0011","11.5488","0.0012","15.4398","0.0015","90","","95.931","0.006","90","","2084.2","0.4","100","2","100","2","","","","","","","commercial","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H25 Cl2 N O4 -","- C20 H25 Cl2 N O4 -","- C80 H100 Cl8 N4 O16 -","4","1","","Sovago, Ioana; Thomas, Lynne H.; Adam, Martin S.; Capelli, Silvia C.; Wilson, Chick C.; Farrugia, Louis J.","High resolution X-ray and neutron diffraction studies on molecular complexes of chloranilic acid and lutidines","CrystEngComm","2016","18","30","5697","","10.1039/C6CE01065B","","x-ray","0.71073","MoKα","","0.0791","0.0406","","","0.0862","0.1025","","","","","","1.026","","","","has coordinates","185184","2020-10-21","18:00:00",""
"7225699","20.1682","0.0002","20.1682","0.0002","20.1682","0.0002","90","","90","","90","","8203.54","0.14","296","2","296","2","","","","","","","","5","P m -3 n","-P 4n 2 3","223","","","","- C60 H37.92 In8 N36 O55 -","- C60 H37.92 In8 N36 O55 -","- C120 H75.84 In16 N72 O110 -","2","0.0416667","","Guo, Xiao-Qing; Wang, Miao; Meng, Fei; Tang, Yan-Feng; Tian, Shu; Yang, Hua-Ling; Jiang, Guo-Qing; Zhu, Jin-Li","Rational design and synthesis of an amino-functionalized hydrogen-bonded network with an ACO zeolite-like topology for gas storage","CrystEngComm","2016","18","30","5616","","10.1039/C6CE01164K","","","0.71073","MoKα","","0.0974","0.0912","","","0.2921","0.3045","","","","","","1.384","","","","has coordinates","185185","2020-10-21","18:00:00",""
"7225700","6.5991","0.0007","6.9097","0.0007","8.2602","0.0009","109.839","0.01","95.545","0.009","94.714","0.008","349.97","0.07","","","293.2","","","","","","","","","5","P 1","P 1","1","","1,5,3-dithiazepan-3-ol","","- C2.667 H6 N0.667 O0.667 S1.333 -","- C2.66667 H6 N0.666667 O0.666667 S1.33333 -","- C8 H18 N2 O2 S4 -","3","3","","Tulyabaev, Arthur R.; Mescheryakova, Ekaterina S.; Khabibullina, Guzel R.; Khalilov, Leonard M.","Intermolecular interactions and chiral crystallization effects in (1,5,3-dithiazepan-3-yl)-alkanoic acids","CrystEngComm","2016","18","30","5686","","10.1039/C6CE00708B","","x-ray","0.7107","MoKα","","0.044094","0.035372","","","","0.1103","","","","","","1.10693","","","","has coordinates","185186","2020-10-21","18:00:00",""
"7225701","6.4993","0.0006","8.663","0.0006","8.5034","0.0005","90","","104.738","0.007","90","","463.02","0.06","200","2","200.2","","","","","","","","","5","P 1 21 1","P 2yb","4","","2-(1,5,3-dithiazepan-3-yl)propanoic acid","","- C7 H13 N O2 S2 -","- C7 H13 N O2 S2 -","- C14 H26 N2 O4 S4 -","2","1","","Tulyabaev, Arthur R.; Mescheryakova, Ekaterina S.; Khabibullina, Guzel R.; Khalilov, Leonard M.","Intermolecular interactions and chiral crystallization effects in (1,5,3-dithiazepan-3-yl)-alkanoic acids","CrystEngComm","2016","18","30","5686","","10.1039/C6CE00708B","","","0.71073","MoKα","","0.0396","0.0381","","","0.1086","0.1108","","","","","","1.108","","","","has coordinates","185186","2020-10-21","18:00:00",""
"7225702","6.58182","0.00017","16.4019","0.0004","11.5843","0.0004","90","","98.923","0.003","90","","1235.44","0.06","200","2","200","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2-(1,5,3-dithiazepan-3-yl)acetic acid","","- C8 H17 N O3 S3 -","- C8 H17 N O3 S3 -","- C32 H68 N4 O12 S12 -","4","1","","Tulyabaev, Arthur R.; Mescheryakova, Ekaterina S.; Khabibullina, Guzel R.; Khalilov, Leonard M.","Intermolecular interactions and chiral crystallization effects in (1,5,3-dithiazepan-3-yl)-alkanoic acids","CrystEngComm","2016","18","30","5686","","10.1039/C6CE00708B","","","0.71073","","","0.0374","0.0318","","","0.0736","0.0762","","","","","","1.067","","","","has coordinates","185186","2020-10-21","18:00:00",""
"7225703","10.5874","0.0004","10.2833","0.0003","25.2185","0.001","90","","90","","90","","2745.62","0.17","200","2","200","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","3-(1,5,3-dithiazepan-3-yl)-2-phenylpropanoic acid","","- C13 H17 N O2 S2 -","- C13 H17 N O2 S2 -","- C104 H136 N8 O16 S16 -","8","1","","Tulyabaev, Arthur R.; Mescheryakova, Ekaterina S.; Khabibullina, Guzel R.; Khalilov, Leonard M.","Intermolecular interactions and chiral crystallization effects in (1,5,3-dithiazepan-3-yl)-alkanoic acids","CrystEngComm","2016","18","30","5686","","10.1039/C6CE00708B","","","0.71073","MoKα","","0.0558","0.0464","","","0.1113","0.1176","","","","","","1.11","","","","has coordinates","185186","2020-10-21","18:00:00",""
"7225704","10.6926","0.0006","10.9871","0.0007","21.4364","0.0015","90","","90","","90","","2518.4","0.3","200.19","0.1","200.19","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(S)-(+)-2-(1,5,3-dithiazepan-3-yl)-4-methylpentanoic acid","","- C10 H19 N O2 S2 -","- C10 H19 N O2 S2 -","- C80 H152 N8 O16 S16 -","8","2","","Tulyabaev, Arthur R.; Mescheryakova, Ekaterina S.; Khabibullina, Guzel R.; Khalilov, Leonard M.","Intermolecular interactions and chiral crystallization effects in (1,5,3-dithiazepan-3-yl)-alkanoic acids","CrystEngComm","2016","18","30","5686","","10.1039/C6CE00708B","","","0.71073","MoKα","","0.0781","0.0602","","","0.1102","0.1211","","","","","","1.012","","","","has coordinates","185186","2020-10-21","18:00:00",""
"7225705","5.0968","0.0003","6.7869","0.0003","16.636","0.001","78.801","0.005","87.344","0.005","69.141","0.005","527.34","0.05","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","2-(1,5,3-dithiazepan-3-yl)butanoic acid","","- C8 H15 N O2 S2 -","- C8 H15 N O2 S2 -","- C16 H30 N2 O4 S4 -","2","1","","Tulyabaev, Arthur R.; Mescheryakova, Ekaterina S.; Khabibullina, Guzel R.; Khalilov, Leonard M.","Intermolecular interactions and chiral crystallization effects in (1,5,3-dithiazepan-3-yl)-alkanoic acids","CrystEngComm","2016","18","30","5686","","10.1039/C6CE00708B","","","0.7107","MoKα","","0.0466","0.0384","","","0.119","0.1328","","","","","","0.943","","","","has coordinates","185186","2020-10-21","18:00:00",""
"7225706","6.8616","0.0011","8.8688","0.0008","8.9458","0.001","66.923","0.01","70.122","0.013","85.373","0.01","470.12","0.12","200","2","200","2","","","","","","","","5","P 1","P 1","1","","(S)-(+)-2-(1,5,3-dithiazepan-3-yl)-3-hydroxypropanoic acid","","- C7 H13 N O3 S2 -","- C7 H13 N O3 S2 -","- C14 H26 N2 O6 S4 -","2","2","","Tulyabaev, Arthur R.; Mescheryakova, Ekaterina S.; Khabibullina, Guzel R.; Khalilov, Leonard M.","Intermolecular interactions and chiral crystallization effects in (1,5,3-dithiazepan-3-yl)-alkanoic acids","CrystEngComm","2016","18","30","5686","","10.1039/C6CE00708B","","x-ray","0.71073","","","0.0524","0.0467","","","0.1122","0.1182","","","","","","0.864","","","","has coordinates","185186","2020-10-21","18:00:00",""
"7225707","4.9212","0.0005","30.519","0.002","6.7336","0.0004","90","","103.709","0.008","90","","982.51","0.14","200","2","200","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","3-(1,5,3-dithiazepan-3-yl)propanoic acid","","- C7 H12 N O2 S2 -","- C7 H12 N O2 S2 -","- C28 H48 N4 O8 S8 -","4","1","","Tulyabaev, Arthur R.; Mescheryakova, Ekaterina S.; Khabibullina, Guzel R.; Khalilov, Leonard M.","Intermolecular interactions and chiral crystallization effects in (1,5,3-dithiazepan-3-yl)-alkanoic acids","CrystEngComm","2016","18","30","5686","","10.1039/C6CE00708B","","","0.71073","MoKα","","0.0678","0.0536","","","0.1348","0.1448","","","","","","1.057","","","","has coordinates,has disorder","185186","2020-10-21","18:00:00",""
"7225708","6.6882","0.0003","8.6039","0.0004","8.0793","0.0004","90","","94.507","0.005","90","","463.48","0.04","200","2","200","2","","","","","","","","5","P 1 21 1","P 2yb","4","","2-(1,5,3-dithiazepan-3-yl)acetic acid","","- C6 H13 N O3 S2 -","- C6 H13 N O3 S2 -","- C12 H26 N2 O6 S4 -","2","1","","Tulyabaev, Arthur R.; Mescheryakova, Ekaterina S.; Khabibullina, Guzel R.; Khalilov, Leonard M.","Intermolecular interactions and chiral crystallization effects in (1,5,3-dithiazepan-3-yl)-alkanoic acids","CrystEngComm","2016","18","30","5686","","10.1039/C6CE00708B","","","0.71073","","","0.0313","0.0303","","","0.0865","0.0888","","","","","","0.853","","","","has coordinates","185186","2020-10-21","18:00:00",""
"7225709","7.199","0.003","11.837","0.005","25.842","0.01","90","","90","","90","","2202.1","1.6","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C20 H40 O3 Si -","- C20 H40 O3 Si -","- C80 H160 O12 Si4 -","4","1","","Pazos, Gonzalo; Pérez, Manuel; Gándara, Zoila; Gómez, Generosa; Fall, Yagamare","[3,3]-Sigmatropic rearrangement mediated synthesis of chiral building blocks for the preparation of Gemini and its analogs","RSC Adv.","2016","6","66","61073","","10.1039/C6RA08789B","","","0.71073","MoKα","","0.096","0.0435","","","0.0932","0.1149","","","","","","0.997","","","","has coordinates,has disorder","183929","2020-10-21","18:00:00",""
"7225710","12.481","0.003","10.625","0.002","17.678","0.004","90","","108.484","0.003","90","","2223.4","0.8","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C27 H11.5 F N O P -","- C27 H19 F N O P -","- C108 H76 F4 N4 O4 P4 -","4","1","","Zhang, Pengbo; Zhang, Liangliang; Gao, Yuzhen; Tang, Guo; Zhao, Yufen","Synthesis of 3-phosphinoylquinolines via a phosphinoylation‒cyclization‒aromatization process mediated by tert-butyl hydroperoxide","RSC Adv.","2016","6","65","60922","","10.1039/C6RA11426A","","","0.71073","MoKα","","0.0602","0.0563","","","0.1919","0.1958","","","","","","1.616","","","","has coordinates","183930","2020-10-21","18:00:00",""
"7225711","35.116","0.002","7.7402","0.0005","9.1539","0.0005","90","","90","","90","","2488.1","0.3","150","2","150","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C11 H18 Cl N O -","- C11 H18 Cl N O -","- C88 H144 Cl8 N8 O8 -","8","1","","Namespetra, Andrew M.; Hirsh, David A.; Hildebrand, Marcel P.; Sandre, Anthony R.; Hamaed, Hiyam; Rawson, Jeremy M.; Schurko, Robert W.","35Cl solid-state NMR spectroscopy of HCl pharmaceuticals and their polymorphs in bulk and dosage forms","CrystEngComm","2016","18","33","6213","","10.1039/C6CE01069E","","","0.71073","MoKα","","0.0585","0.0577","","","0.1075","0.1078","","","","","","1.452","","","","has coordinates","190385","2020-10-21","18:00:00",""
"7225712","5.964","0.002","20.098","0.008","14.385","0.008","90","","99.25","0.05","90","","1701.8","1.3","250","2","250","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Bis(diisobutylammonium) octabromodiantimonate(III)","","- C8 H20 Br4 N Sb -","- C8.018 H20.054 Br4 N Sb -","- C32.072 H80.216 Br16 N4 Sb4 -","4","1","","Wojciechowska, Martyna; Szklarz, Przemysław; Białońska, Agata; Baran, Jan; Janicki, Rafał; Medycki, Wojciech; Durlak, Piotr; Piecha-Bisiorek, Anna; Jakubas, Ryszard","Enormous lattice distortion through an isomorphous phase transition in an organic‒inorganic hybrid based on haloantimonate(iii)","CrystEngComm","2016","18","33","6184","","10.1039/C6CE01008C","","","0.71073","MoKα","","0.0663","0.046","","","0.1133","0.121","","","","","","0.915","","","","has coordinates,has disorder","186362","2020-10-21","18:00:00",""
"7225713","6.046","0.002","18.186","0.003","14.839","0.003","90","","96.32","0.02","90","","1621.7","0.7","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Bis(diisobutylammonium) octabromodiantimonate(III)","","- C8 H20 Br4 N Sb -","- C8 H20 Br4 N Sb -","- C32 H80 Br16 N4 Sb4 -","4","1","","Wojciechowska, Martyna; Szklarz, Przemysław; Białońska, Agata; Baran, Jan; Janicki, Rafał; Medycki, Wojciech; Durlak, Piotr; Piecha-Bisiorek, Anna; Jakubas, Ryszard","Enormous lattice distortion through an isomorphous phase transition in an organic‒inorganic hybrid based on haloantimonate(iii)","CrystEngComm","2016","18","33","6184","","10.1039/C6CE01008C","","","0.71073","MoKα","","0.0511","0.0325","","","0.0724","0.0752","","","","","","1.007","","","","has coordinates","186362","2020-10-21","18:00:00",""
"7225714","5.79","0.002","19.485","0.003","14.275","0.003","90","","101.28","0.03","90","","1579.4","0.7","250","2","250","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Bis(diisobutylammonium) octachlorodiantimonate(III)","","- C8 H20 Cl4 N Sb -","- C8 H20 Cl4 N Sb -","- C32 H80 Cl16 N4 Sb4 -","4","1","","Wojciechowska, Martyna; Szklarz, Przemysław; Białońska, Agata; Baran, Jan; Janicki, Rafał; Medycki, Wojciech; Durlak, Piotr; Piecha-Bisiorek, Anna; Jakubas, Ryszard","Enormous lattice distortion through an isomorphous phase transition in an organic‒inorganic hybrid based on haloantimonate(iii)","CrystEngComm","2016","18","33","6184","","10.1039/C6CE01008C","","","0.71073","MoKα","","0.0728","0.0343","","","0.0589","0.0645","","","","","","0.822","","","","has coordinates","186362","2020-10-21","18:00:00",""
"7225715","5.75","0.002","19.314","0.003","14.248","0.003","90","","101.99","0.02","90","","1547.8","0.7","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Bis(diisobutylammonium) octachlorodiantimonate(III)","","- C8 H20 Cl4 N Sb -","- C8 H20 Cl4 N Sb -","- C32 H80 Cl16 N4 Sb4 -","4","1","","Wojciechowska, Martyna; Szklarz, Przemysław; Białońska, Agata; Baran, Jan; Janicki, Rafał; Medycki, Wojciech; Durlak, Piotr; Piecha-Bisiorek, Anna; Jakubas, Ryszard","Enormous lattice distortion through an isomorphous phase transition in an organic‒inorganic hybrid based on haloantimonate(iii)","CrystEngComm","2016","18","33","6184","","10.1039/C6CE01008C","","","0.71073","MoKα","","0.0354","0.0287","","","0.0784","0.0803","","","","","","1.146","","","","has coordinates","186362","2020-10-21","18:00:00",""
"7225716","20.0597","0.0008","10.2411","0.0003","8.0519","0.0002","90","","90","","90","","1654.13","0.09","142","","142","","","","","","","","","5","P c a 21","P 2c -2ac","29","2-Phosphorindoline 2-oxide","2-Benzoyl-1-ethoxy-1-oxoazacyclohexano[3,2,1-h,i]phosphorindoline","","- C19 H20 N O3 P -","- C19 H20 N O3 P -","- C76 H80 N4 O12 P4 -","4","1","","Huang, Peipei; Xu, Jiaxi","Synthesis of 2-oxophosphorindolines via the copper-catalyzed intramolecular aromatic C-H insertion of diazophosphonamidates","RSC Adv.","2016","","","","","10.1039/C6RA10555F","","","0.7107","MoKα","","0.0382","0.0343","","","0.0805","0.0835","","","","","","1.025","","","","has coordinates","184010","2020-10-21","18:00:00",""
"7225717","14.27","0.017","15.761","0.018","19.565","0.018","64.33","0.05","68.53","0.06","71.15","0.06","3619","7","273","","293","","","","","","","","","5","P -1","-P 1","2","","10,10?-(9-Ethyl-9H-carbazole-3,6-diyl)bis(10H-phenothiazine","","- C47 H48 N6 O3 S2 -","- C42.5 H37.5 N4.5 O1.5 S2 -","- C170 H150 N18 O6 S8 -","4","2","","Bagdžiūnas, Gintautas; Grybauskaitė, Gintarė; Kostiv, Nataliya; Ivaniuk, Khrystyna; Volyniuk, Dmytro; Lazauskas, Algirdas","Green and red phosphorescent organic light-emitting diodes with ambipolar hosts based on phenothiazine and carbazole moieties: photoelectrical properties, morphology and efficiency","RSC Adv.","2016","6","66","61544","","10.1039/C6RA12692H","","","0.71075","MoKα","","","0.104","","","","0.3928","","","","","","0.995","","","","has coordinates","184011","2020-10-21","18:00:00",""
"7225718","9.511","0.011","10.365","0.01","11.708","0.014","75.35","0.04","88.08","0.05","64.4","0.04","1003","2","273","","293","","","","","","","","","4","P -1","-P 1","2","","10-(9-Ethyl-9H-carbazol-3-yl)-10H-phenothiazine","","- C26 H20 N2 S -","- C26 H20 N2 S -","- C52 H40 N4 S2 -","2","1","","Bagdžiūnas, Gintautas; Grybauskaitė, Gintarė; Kostiv, Nataliya; Ivaniuk, Khrystyna; Volyniuk, Dmytro; Lazauskas, Algirdas","Green and red phosphorescent organic light-emitting diodes with ambipolar hosts based on phenothiazine and carbazole moieties: photoelectrical properties, morphology and efficiency","RSC Adv.","2016","6","66","61544","","10.1039/C6RA12692H","","","0.71075","MoKα","","","0.0653","","","","0.2799","","","","","","1.017","","","","has coordinates","184011","2020-10-21","18:00:00",""
"7225719","7.786","0.003","10.872","0.005","11.188","0.005","75.96","0.005","83.809","0.004","71.052","0.004","868.5","0.7","298","2","298.15","","","","","","","","","7","P -1","-P 1","2","","2-Mercaptobenzothiazolate palladium complexes","","- C26 H0 Cl N0 O8 Pd2 S10 -","- C28 H24 N4 O4 Pd2 S8 -","- C28 H24 N4 O4 Pd2 S8 -","1","0.5","","Zhang, Hong; Wang, Chen; Zheng, Yan; Wang, Shubin; Liu, Zhaohui; Yang, Yanzhao","A 2-Mercaptobenzothiazole-functionalized ionic liquid for selective extraction of Pd(II) from hydrochloric acid medium","RSC Adv.","2016","","","","","10.1039/C6RA12002D","","","0.71","MoKα","","0.1398","0.0792","","","0.1527","0.175","","","","","","1.048","","","","has coordinates","184012","2020-10-21","18:00:00",""
"7225720","27.249","0.005","27.42","0.005","25.189","0.005","90","0.005","90","0.005","90","0.005","18820","6","293","2","293","2","","","","","","","","7","P b c n","-P 2n 2ab","60","","","","- C96 H108 Co5 N32 O100 P2 W24 -","- C96 H80 Co5 N32 O86 P2 W24 -","- C384 H320 Co20 N128 O344 P8 W96 -","4","0.5","","Zhao, Chunyan; Li, Shaobin; Ma, Huiyuan; Zhang, Chunjing; Pang, Haijun; Yu, Yan; Zhang, Zhuanfang","The factors affecting the assembly of Keggin‒metal‒bimb systems: charge/polarity of Keggin polyanions and coordination modes of metal cations","CrystEngComm","2016","18","33","6233","","10.1039/C6CE00880A","","","0.71069","MoKα","","0.0731","0.0493","","","0.1211","0.1328","","","","","","0.809","","","","has coordinates","186363","2020-10-21","18:00:00",""
"7225721","26.8635","0.0013","20.0627","0.001","13.1107","0.0006","90","","90","","90","","7066.1","0.6","293","2","293","2","","","","","","","","7","P n m a","-P 2ac 2n","62","","","","- C36 H34 Co2 Ge N12 O42 W12 -","- C36 H30 Co2 Ge N12 O40 W12 -","- C144 H120 Co8 Ge4 N48 O160 W48 -","4","0.5","","Zhao, Chunyan; Li, Shaobin; Ma, Huiyuan; Zhang, Chunjing; Pang, Haijun; Yu, Yan; Zhang, Zhuanfang","The factors affecting the assembly of Keggin‒metal‒bimb systems: charge/polarity of Keggin polyanions and coordination modes of metal cations","CrystEngComm","2016","18","33","6233","","10.1039/C6CE00880A","","","0.71073","MoKα","","0.0907","0.0689","","","0.1701","0.1834","","","","","","1.066","","","","has coordinates","186363","2020-10-21","18:00:00",""
"7225722","26.78","0.005","19.963","0.005","12.98","0.005","90","0.005","90","0.005","90","0.005","6939","3","293","2","293","2","","","","","","","","7","P n m a","-P 2ac 2n","62","","","","- C36 H34 B Co2 N12 O42 W12 -","- C36 H30 B Co2 N12 O41 W12 -","- C144 H120 B4 Co8 N48 O164 W48 -","4","0.5","","Zhao, Chunyan; Li, Shaobin; Ma, Huiyuan; Zhang, Chunjing; Pang, Haijun; Yu, Yan; Zhang, Zhuanfang","The factors affecting the assembly of Keggin‒metal‒bimb systems: charge/polarity of Keggin polyanions and coordination modes of metal cations","CrystEngComm","2016","18","33","6233","","10.1039/C6CE00880A","","","0.71069","MoKα","","0.0865","0.0555","","","0.1622","0.178","","","","","","1.161","","","","has coordinates","186363","2020-10-21","18:00:00",""
"7225723","26.548","0.005","20.076","0.005","12.964","0.005","90","0.005","90","0.005","90","0.005","6910","3","293","2","293","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C36 H38 Co2 N12 O42 W12 -","- C36 H30 Co2 N12 O40 W12 -","- C144 H120 Co8 N48 O160 W48 -","4","0.5","","Zhao, Chunyan; Li, Shaobin; Ma, Huiyuan; Zhang, Chunjing; Pang, Haijun; Yu, Yan; Zhang, Zhuanfang","The factors affecting the assembly of Keggin‒metal‒bimb systems: charge/polarity of Keggin polyanions and coordination modes of metal cations","CrystEngComm","2016","18","33","6233","","10.1039/C6CE00880A","","","0.71069","MoKα","","0.0804","0.0576","","","0.147","0.1613","","","","","","1.057","","","","has coordinates","186363","2020-10-21","18:00:00",""
"7225724","11.2301","0.0006","12.9434","0.0007","13.2453","0.0008","96.455","0.001","113.462","0.001","104.427","0.001","1661.18","0.16","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C36 H34 B Cu N12 O42 W12 -","- C36 H30 B Cu N12 O40 W12 -","- C36 H30 B Cu N12 O40 W12 -","1","0.5","","Zhao, Chunyan; Li, Shaobin; Ma, Huiyuan; Zhang, Chunjing; Pang, Haijun; Yu, Yan; Zhang, Zhuanfang","The factors affecting the assembly of Keggin‒metal‒bimb systems: charge/polarity of Keggin polyanions and coordination modes of metal cations","CrystEngComm","2016","18","33","6233","","10.1039/C6CE00880A","","","0.71073","MoKα","","0.0828","0.0662","","","0.1455","0.1525","","","","","","1.161","","","","has coordinates","186363","2020-10-21","18:00:00",""
"7225725","26.664","0.005","20.022","0.005","12.937","0.005","90","0.005","90","0.005","90","0.005","6907","3","293","2","293","2","","","","","","","","7","P n m a","-P 2ac 2n","62","","","","- C36 H41 Ag2 B N12 O42 W12 -","- C36 H30 Ag2 B N12 O41 W12 -","- C144 H120 Ag8 B4 N48 O164 W48 -","4","0.5","","Zhao, Chunyan; Li, Shaobin; Ma, Huiyuan; Zhang, Chunjing; Pang, Haijun; Yu, Yan; Zhang, Zhuanfang","The factors affecting the assembly of Keggin‒metal‒bimb systems: charge/polarity of Keggin polyanions and coordination modes of metal cations","CrystEngComm","2016","18","33","6233","","10.1039/C6CE00880A","","","0.71069","MoKα","","0.103","0.0702","","","0.176","0.1995","","","","","","0.834","","","","has coordinates","186363","2020-10-21","18:00:00",""
"7225726","25.994","0.0003","25.994","0.0003","25.994","0.0003","90","","90","","90","","17563.8","0.4","250","2","250","2","","","","","","","","5","F m -3 m","-F 4 2 3","225","","","","- C76.6 H78.2 N3 O13 Zn4 -","- C24 N3 O13 Zn4 -","- C192 N24 O104 Zn32 -","8","0.0416667","","Keenan, Luke L.; Hamzah, Harina Amer; Mahon, Mary F.; Warren, Mark R.; Burrows, Andrew D.","Secondary amine-functionalised metal‒organic frameworks: direct syntheses versus tandem post-synthetic modifications","CrystEngComm","2016","18","30","5710","","10.1039/C6CE01270A","","","0.6889","","","0.0733","0.055","","","0.1658","0.1969","","","","","","1.048","","","","has coordinates","185179","2020-10-21","18:00:00",""
"7225727","25.7627","0.0002","25.7627","0.0002","25.7627","0.0002","90","","90","","90","","17099.1","0.2","250","2","250","2","","","","","","","","5","F m -3 m","-F 4 2 3","225","","","","- C79 H83 N3 O13 Zn4 -","- C24 N3 O13 Zn4 -","- C192 N24 O104 Zn32 -","8","0.0416667","","Keenan, Luke L.; Hamzah, Harina Amer; Mahon, Mary F.; Warren, Mark R.; Burrows, Andrew D.","Secondary amine-functionalised metal‒organic frameworks: direct syntheses versus tandem post-synthetic modifications","CrystEngComm","2016","18","30","5710","","10.1039/C6CE01270A","","","0.6889","synchrotron","","0.0416","0.0365","","","0.108","0.1175","","","","","","1.155","","","","has coordinates","185179","2020-10-21","18:00:00",""
"7225728","25.77025","0.00014","25.77025","0.00014","25.77025","0.00014","90","","90","","90","","17114.2","0.16","250","2","250.15","","","","","","","","","5","F m -3 m","-F 4 2 3","225","","","","- C77.1 H83.4 N3 O13 Zn4 -","- C27 N3 O13 Zn4 -","- C216 N24 O104 Zn32 -","8","0.0416667","","Keenan, Luke L.; Hamzah, Harina Amer; Mahon, Mary F.; Warren, Mark R.; Burrows, Andrew D.","Secondary amine-functionalised metal‒organic frameworks: direct syntheses versus tandem post-synthetic modifications","CrystEngComm","2016","18","30","5710","","10.1039/C6CE01270A","","","0.6889","synchrotron","","0.0421","0.0382","","","0.1323","0.137","","","","","","1.172","","","","has coordinates","185179","2020-10-21","18:00:00",""
"7225729","25.7752","0.0002","25.7752","0.0002","25.7752","0.0002","90","","90","","90","","17124","0.2","250","2","250","2","","","","","","","","5","F m -3 m","-F 4 2 3","225","","","","- C73.98 H77.4 N3 O13 Zn4 -","- C27 N3 O13 Zn4 -","- C216 N24 O104 Zn32 -","8","0.0416667","","Keenan, Luke L.; Hamzah, Harina Amer; Mahon, Mary F.; Warren, Mark R.; Burrows, Andrew D.","Secondary amine-functionalised metal‒organic frameworks: direct syntheses versus tandem post-synthetic modifications","CrystEngComm","2016","18","30","5710","","10.1039/C6CE01270A","","","0.6889","Synchrotron","","0.0545","0.0534","","","0.1958","0.1973","","","","","","1.109","","","","has coordinates","185179","2020-10-21","18:00:00",""
"7225730","25.8577","0.0002","25.8577","0.0002","25.8577","0.0002","90","","90","","90","","17289","0.2","250","2","250","2","","","","","","","","6","F m -3 m","-F 4 2 3","225","","","","- C78.1 H74.6 N3 O13 S1.95 Zn4 -","- C24 N3 O13 Zn4 -","- C192 N24 O104 Zn32 -","8","0.0416667","","Keenan, Luke L.; Hamzah, Harina Amer; Mahon, Mary F.; Warren, Mark R.; Burrows, Andrew D.","Secondary amine-functionalised metal‒organic frameworks: direct syntheses versus tandem post-synthetic modifications","CrystEngComm","2016","18","30","5710","","10.1039/C6CE01270A","","","0.6889","Synchrotron","","0.066","0.064","","","0.1951","0.2064","","","","","","1.227","","","","has coordinates","185179","2020-10-21","18:00:00",""
"7225731","10.886","0.002","10.237","0.002","11.376","0.002","90","","94.16","0.03","90","","1264.4","0.4","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C8 H18 B Br F4 N2 O -","- C8 H18 B Br F4 N2 O -","- C32 H72 B4 Br4 F16 N8 O4 -","4","1","","Han, Xiang-Bin; Xiao, Jing-Mei","Water motion-controlled reversible phase transition and de/absorption-controlled reversible phase transformation in the hydrate crystal (BEDABCO)ClO4·H2O and its analogs","CrystEngComm","2016","18","33","6195","","10.1039/C6CE00854B","","","0.71073","MoKα","","0.0984","0.0649","","","0.1464","0.1692","","","","","","0.967","","","","has coordinates","186365","2020-10-21","18:00:00",""
"7225732","10.919","0.002","10.331","0.002","11.33","0.002","90","","94.06","0.03","90","","1274.9","0.4","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C8 H18 Cl2 N2 O5 -","- C8 H18 Cl2 N2 O5 -","- C32 H72 Cl8 N8 O20 -","4","1","","Han, Xiang-Bin; Xiao, Jing-Mei","Water motion-controlled reversible phase transition and de/absorption-controlled reversible phase transformation in the hydrate crystal (BEDABCO)ClO4·H2O and its analogs","CrystEngComm","2016","18","33","6195","","10.1039/C6CE00854B","","","0.71073","MoKα","","0.0569","0.0436","","","0.1037","0.1105","","","","","","1.055","","","","has coordinates","186365","2020-10-21","18:00:00",""
"7225733","11.018","0.002","10.388","0.002","11.406","0.002","90","","94.03","0.03","90","","1302.2","0.4","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C8 H16 Br Cl D2 N2 O5 -","- C8 H16 Br Cl D2 N2 O5 -","- C32 H64 Br4 Cl4 D8 N8 O20 -","4","1","","Han, Xiang-Bin; Xiao, Jing-Mei","Water motion-controlled reversible phase transition and de/absorption-controlled reversible phase transformation in the hydrate crystal (BEDABCO)ClO4·H2O and its analogs","CrystEngComm","2016","18","33","6195","","10.1039/C6CE00854B","","","0.71073","MoKα","","0.0634","0.046","","","0.1014","0.1094","","","","","","1.045","","","","has coordinates","186365","2020-10-21","18:00:00",""
"7225734","10.98","0.002","10.333","0.002","11.37","0.002","90","","93.92","0.03","90","","1287","0.4","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C8 H18 Br Cl N2 O5 -","- C8 H18 Br Cl N2 O5 -","- C32 H72 Br4 Cl4 N8 O20 -","4","1","","Han, Xiang-Bin; Xiao, Jing-Mei","Water motion-controlled reversible phase transition and de/absorption-controlled reversible phase transformation in the hydrate crystal (BEDABCO)ClO4·H2O and its analogs","CrystEngComm","2016","18","33","6195","","10.1039/C6CE00854B","","","0.71073","MoKα","","0.0558","0.0427","","","0.0921","0.098","","","","","","1.088","","","","has coordinates","186365","2020-10-21","18:00:00",""
"7225735","11.055","0.006","10.452","0.006","11.388","0.006","90","","94.249","0.009","90","","1312.2","1.2","333","2","333","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C8 H18 Br Cl N2 O5 -","- C8 H18 Br Cl N2 O5 -","- C32 H72 Br4 Cl4 N8 O20 -","4","1","","Han, Xiang-Bin; Xiao, Jing-Mei","Water motion-controlled reversible phase transition and de/absorption-controlled reversible phase transformation in the hydrate crystal (BEDABCO)ClO4·H2O and its analogs","CrystEngComm","2016","18","33","6195","","10.1039/C6CE00854B","","","0.71073","MoKα","","0.08","0.0521","","","0.0974","0.107","","","","","","1.11","","","","has coordinates","186365","2020-10-21","18:00:00",""
"7225736","11.067","0.002","10.483","0.002","11.404","0.002","90","","94.32","0.03","90","","1319.3","0.4","343","2","343","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C8 H18 Br Cl N2 O5 -","- C8 H18 Br Cl N2 O5 -","- C32 H72 Br4 Cl4 N8 O20 -","4","1","","Han, Xiang-Bin; Xiao, Jing-Mei","Water motion-controlled reversible phase transition and de/absorption-controlled reversible phase transformation in the hydrate crystal (BEDABCO)ClO4·H2O and its analogs","CrystEngComm","2016","18","33","6195","","10.1039/C6CE00854B","","","0.71073","MoKα","","0.131","0.0576","","","0.1074","0.1336","","","","","","0.972","","","","has coordinates","186365","2020-10-21","18:00:00",""
"7225737","6.8562","0.0005","11.9649","0.0009","20.6362","0.001","78.951","0.005","88.87","0.005","76.106","0.006","1612.26","0.19","150","","150","","","","","","","","","4","P -1","-P 1","2","","bis(n-phenylurea) bis(5-nitroisophthalic acid) dihydrate","","- C15 H15 N3 O8 -","- C15 H15 N3 O8 -","- C60 H60 N12 O32 -","4","2","","Saunders, Lucy K.; Nowell, Harriott; Raithby, Paul R.; Wilson, Chick C.","Crystal engineering urea organic acid hydrogen bonded networks with solvent inclusion properties","CrystEngComm","2016","18","31","5916","","10.1039/C6CE00872K","","x-ray","1.54184","CuKα","","0.0975","0.0848","","","0.2353","0.2446","","","","","","1.087","","","","has coordinates","287892","2023-11-30","16:04:10",""
"7225738","7.7787","0.0001","18.8747","0.0002","13.0343","0.0001","90","","91.528","0.001","90","","1913.02","0.04","150","","150","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","n-phenylurea 5-nitroisophthalic acid acetone solvate","","- C18 H19 N3 O8 -","- C18 H19 N3 O8 -","- C72 H76 N12 O32 -","4","1","","Saunders, Lucy K.; Nowell, Harriott; Raithby, Paul R.; Wilson, Chick C.","Crystal engineering urea organic acid hydrogen bonded networks with solvent inclusion properties","CrystEngComm","2016","18","31","5916","","10.1039/C6CE00872K","","x-ray","1.54184","CuKα","","0.0376","0.0345","","","0.0937","0.0969","","","","","","1.029","","","","has coordinates","185252","2020-10-21","18:00:00",""
"7225739","12.2579","0.0006","14.7289","0.0009","23.505","0.0014","94.49","0.005","91.215","0.004","90.291","0.004","4229.6","0.4","150","","150","","","","","","","","","4","P -1","-P 1","2","","Heptakis(n-phenylurea) tetrakis(5-nitroisophthalic acid) dimethanol solvate","","- C83 H84 N18 O33 -","- C83 H84 N18 O33 -","- C166 H168 N36 O66 -","2","1","","Saunders, Lucy K.; Nowell, Harriott; Raithby, Paul R.; Wilson, Chick C.","Crystal engineering urea organic acid hydrogen bonded networks with solvent inclusion properties","CrystEngComm","2016","18","31","5916","","10.1039/C6CE00872K","","x-ray","0.71073","MoKα","","0.1125","0.0553","","","0.1163","0.146","","","","","","1.015","","","","has coordinates","185252","2020-10-21","18:00:00",""
"7225740","6.9335","0.0003","12.4902","0.0007","25.4854","0.0013","89.062","0.005","83.694","0.004","74.923","0.003","2118.02","0.19","100","","100","","","","","","","","","4","P -1","-P 1","2","","tris(n-phenylurea) bis(5-nitroisophthalic acid) monohydrate ethanol solvate","","- C39 H42 N8 O17 -","- C39 H34 N8 O17 -","- C78 H68 N16 O34 -","2","1","","Saunders, Lucy K.; Nowell, Harriott; Raithby, Paul R.; Wilson, Chick C.","Crystal engineering urea organic acid hydrogen bonded networks with solvent inclusion properties","CrystEngComm","2016","18","31","5916","","10.1039/C6CE00872K","","","0.9538","synchrotron","","0.1972","0.1019","","","0.2761","0.3331","","","","","","1.005","","","","has coordinates","185252","2020-10-21","18:00:00",""
"7225741","10.0887","0.0005","12.3161","0.0005","17.3345","0.001","70.478","0.005","87.122","0.004","87.659","0.004","2026.83","0.19","150","0.14","150","","","","","","","","","4","P -1","-P 1","2","","tris(n-phenylurea) bis(5-nitroisophthalic acid) acetonitrile solvate","","- C39 H37 N9 O15 -","- C39 H37 N9 O15 -","- C78 H74 N18 O30 -","2","1","","Saunders, Lucy K.; Nowell, Harriott; Raithby, Paul R.; Wilson, Chick C.","Crystal engineering urea organic acid hydrogen bonded networks with solvent inclusion properties","CrystEngComm","2016","18","31","5916","","10.1039/C6CE00872K","","","1.54184","CuKα","","0.0526","0.0396","","","0.1018","0.1125","","","","","","1.041","","","","has coordinates","185252","2020-10-21","18:00:00",""
"7225742","12.3639","0.0007","13.0486","0.001","13.8208","0.001","71.686","0.007","89.156","0.005","87.439","0.005","2114.7","0.3","150","","150","","","","","","","","","4","P -1","-P 1","2","","'tris(n-phenylurea) bis(5-nitroisophthalic acid) acetone solvate hydrate","","- C40 H42 N8 O17 -","- C40 H42 N8 O17 -","- C80 H84 N16 O34 -","2","1","","Saunders, Lucy K.; Nowell, Harriott; Raithby, Paul R.; Wilson, Chick C.","Crystal engineering urea organic acid hydrogen bonded networks with solvent inclusion properties","CrystEngComm","2016","18","31","5916","","10.1039/C6CE00872K","","x-ray","0.71073","MoKα","","0.2373","0.0834","","","0.1392","0.2","","","","","","0.959","","","","has coordinates","185252","2020-10-21","18:00:00",""
"7225743","12.3606","0.0005","13.4644","0.0006","14.3535","0.0006","81.404","0.004","83.684","0.004","64.194","0.004","2123.72","0.17","150","0.1","150","0.1","","","","","","","","4","P -1","-P 1","2","","tris(n-phenylurea) bis(5-nitroisophthalic acid) tetrahydrofuran solvate hydrate","","- C41 H44 N8 O17 -","- C41 H44 N8 O17 -","- C82 H88 N16 O34 -","2","1","","Saunders, Lucy K.; Nowell, Harriott; Raithby, Paul R.; Wilson, Chick C.","Crystal engineering urea organic acid hydrogen bonded networks with solvent inclusion properties","CrystEngComm","2016","18","31","5916","","10.1039/C6CE00872K","","x-ray","1.54184","CuKα","","0.0633","0.0509","","","0.1348","0.147","","","","","","1.034","","","","has coordinates","185252","2020-10-21","18:00:00",""
"7225744","9.8732","0.0004","10.997","0.0003","20.4449","0.0006","80.035","0.002","89.288","0.003","77.29","0.003","2131.99","0.12","150","0.1","150","0.1","","","","","","","","4","P -1","-P 1","2","","Hepta(n-phenylurea) tetra(5-nitroisophthalic acid) ethyl acetate solvate","","- C41 H42 N8 O17 -","- C41 H42 N8 O17 -","- C82 H84 N16 O34 -","2","1","","Saunders, Lucy K.; Nowell, Harriott; Raithby, Paul R.; Wilson, Chick C.","Crystal engineering urea organic acid hydrogen bonded networks with solvent inclusion properties","CrystEngComm","2016","18","31","5916","","10.1039/C6CE00872K","","x-ray","1.54184","CuKα","","0.0687","0.0539","","","0.1404","0.1547","","","","","","1.008","","","","has coordinates","185252","2020-10-21","18:00:00",""
"7225745","9.9483","0.0008","9.9564","0.0008","10.6641","0.0007","66.488","0.007","75.79","0.007","71.335","0.007","909.16","0.13","150","0.14","150","0.14","","","","","","","","4","P -1","-P 1","2","","bis(n-phenylurea) bis(5-nitroisophthalic acid) tetrahydrofuran methanol solvate","","- C18 H21 N3 O8.5 -","- C19 H13 N3 O7.5 -","- C38 H26 N6 O15 -","2","1","","Saunders, Lucy K.; Nowell, Harriott; Raithby, Paul R.; Wilson, Chick C.","Crystal engineering urea organic acid hydrogen bonded networks with solvent inclusion properties","CrystEngComm","2016","18","31","5916","","10.1039/C6CE00872K","","x-ray","1.54184","CuKα","","0.0721","0.0642","","","0.1914","0.204","","","","","","1.081","","","","has coordinates","185252","2020-10-21","18:00:00",""
"7225746","8.9131","0.0007","9.7105","0.0008","13.3778","0.0011","71.44","0.007","78.479","0.007","83.019","0.007","1073.43","0.16","150","","150","","","","","","","","","4","P -1","-P 1","2","","bis(n-phenylurea) 5-nitroisophthalic acid","","- C22 H21 N5 O8 -","- C22 H21 N5 O8 -","- C44 H42 N10 O16 -","2","1","","Saunders, Lucy K.; Nowell, Harriott; Raithby, Paul R.; Wilson, Chick C.","Crystal engineering urea organic acid hydrogen bonded networks with solvent inclusion properties","CrystEngComm","2016","18","31","5916","","10.1039/C6CE00872K","","x-ray","0.71073","MoKα","","0.093","0.052","","","0.0933","0.1101","","","","","","1.023","","","","has coordinates","185252","2020-10-21","18:00:00",""
"7225747","15.1254","0.0003","12.7462","0.0002","16.2905","0.0004","90","","107.286","0.003","90","","2998.81","0.12","150","0.14","150","0.14","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","bis(n-phenylurea) bis(5-nitroisophthalic acid)","","- C15 H13 N3 O7 -","- C15 H13 N3 O7 -","- C120 H104 N24 O56 -","8","2","","Saunders, Lucy K.; Nowell, Harriott; Raithby, Paul R.; Wilson, Chick C.","Crystal engineering urea organic acid hydrogen bonded networks with solvent inclusion properties","CrystEngComm","2016","18","31","5916","","10.1039/C6CE00872K","","x-ray","1.54184","CuKα","","0.0659","0.0526","","","0.1358","0.1426","","","","","","1.123","","","","has coordinates","185252","2020-10-21","18:00:00",""
"7225748","6.7984","0.0009","9.8986","0.0014","18.713","0.003","90","","90","","90","","1259.3","0.3","110","2","110","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","(4aS,6aS,6bR,9aR,10aR,10bR)-8,8-Dimethyl-4,4a,6b,9a,10a,10b-hexahydro-3H-[1,3]dioxolo [4',5':4,5] furo[3,2-c]isochromen-5(6aH)-one","","- C14 H18 O5 -","- C14 H18 O5 -","- C56 H72 O20 -","4","1","","Kalmode, Hanuman; Maity, Dilip Kumar; Bhate, Prakash","Thermal and Lewis acid Promoted Intramolecular Diels-Alder Reaction of Furanose Tethered 1,3,9-Decatriene Systems: A Synthetic and Computational Investigation","RSC Adv.","2016","","","","","10.1039/C6RA10456H","","","0.71073","MoKα","","0.0517","0.0496","","","0.1074","0.1083","","","","","","1.195","","","","has coordinates","184048","2020-10-21","18:00:00",""
"7225749","7.5121","0.0005","6.9024","0.0004","12.659","0.0008","90","","98.114","0.001","90","","649.82","0.07","296","2","296","2","","","","","","","","3","P 1 21 1","P 2yb","4","","(4aR,6aS,6bR,9aR,10aR,10bS)-8,8-dimethyl-4,4a,6b,9a,10a,10b-hexahydro-3H-[1,3]dioxolo[4',5':4,5]furo[3,2-c]isochromen-5(6aH)-one","","- C14 H18 O5 -","- C14 H18 O5 -","- C28 H36 O10 -","2","1","","Kalmode, Hanuman; Maity, Dilip Kumar; Bhate, Prakash","Thermal and Lewis acid Promoted Intramolecular Diels-Alder Reaction of Furanose Tethered 1,3,9-Decatriene Systems: A Synthetic and Computational Investigation","RSC Adv.","2016","","","","","10.1039/C6RA10456H","","","0.71073","MoKα","","0.027","0.0264","","","0.0706","0.0712","","","","","","1.047","","","","has coordinates","184048","2020-10-21","18:00:00",""
"7225750","6.4993","0.0002","10.9036","0.0004","18.6419","0.0006","90","","90","","90","","1321.07","0.08","296","2","296","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","(4aS,6aS,6bR,9aR,10aR,10bS)-8,8-dimethyl-4,4a,6b,9a,10a,10b-hexahydro-3H-[1,3]dioxolo [4',5':4,5]furo[3,2-c]isochromen-5(6aH)-one","","- C14 H18 O5 -","- C14 H18 O5 -","- C56 H72 O20 -","4","1","","Kalmode, Hanuman; Maity, Dilip Kumar; Bhate, Prakash","Thermal and Lewis acid Promoted Intramolecular Diels-Alder Reaction of Furanose Tethered 1,3,9-Decatriene Systems: A Synthetic and Computational Investigation","RSC Adv.","2016","","","","","10.1039/C6RA10456H","","","0.71073","MoKα","","0.0325","0.0304","","","0.0782","0.0798","","","","","","1.037","","","","has coordinates","184048","2020-10-21","18:00:00",""
"7225751","7.0114","0.0004","8.539","0.0005","23.66","0.0013","90","","90","","90","","1416.53","0.14","296","2","296","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","(4aR,6aS,6bR,9aR,10aR,10bS)-4a,8,8-trimethyl-4,4a,6b,9a,10a,10b-hexahydro-3H-[1,3]dioxolo[4',5':4,5]furo[3,2-c] isochromen-5(6aH)-one","","- C15 H20 O5 -","- C15 H20 O5 -","- C60 H80 O20 -","4","1","","Kalmode, Hanuman; Maity, Dilip Kumar; Bhate, Prakash","Thermal and Lewis acid Promoted Intramolecular Diels-Alder Reaction of Furanose Tethered 1,3,9-Decatriene Systems: A Synthetic and Computational Investigation","RSC Adv.","2016","","","","","10.1039/C6RA10456H","","","0.71073","MoKα","","0.0382","0.0354","","","0.0882","0.0905","","","","","","1.042","","","","has coordinates","184048","2020-10-21","18:00:00",""
"7225752","8.3984","0.0008","43.043","0.004","9.1804","0.0009","90","","104.838","0.002","90","","3208","0.5","293","2","273","2","","","","","","","","3","P 1 21 1","P 2yb","4","","(3S,3aS,6aR,8aR,8bR,11aR,12aR)-3,10,10-trimethyl-3a,4,5,6,8b,11a-hexahydro-3H indeno[4'',3a'':3',4']furo[2',3':4,5]furo[2,3-d][1,3]dioxol-7(8aH)-one","","- C17 H22 O5 -","- C17 H22 O5 -","- C136 H176 O40 -","8","4","","Kalmode, Hanuman; Maity, Dilip Kumar; Bhate, Prakash","Thermal and Lewis acid Promoted Intramolecular Diels-Alder Reaction of Furanose Tethered 1,3,9-Decatriene Systems: A Synthetic and Computational Investigation","RSC Adv.","2016","","","","","10.1039/C6RA10456H","","","0.71073","MoKα","","0.0845","0.0634","","","0.1185","0.1266","","","","","","1.113","","","","has coordinates","184048","2020-10-21","18:00:00",""
"7225753","3.7805","0.00015","10.5723","0.0003","15.0385","0.0005","90","","94.249","0.003","90","","599.42","0.04","295","2","295","2","","","","","","","","4","P 1 21 1","P 2yb","4","Pyrazine-2-Amidoxime","","","- C5 H6 N4 O -","- C5 H6 N4 O -","- C20 H24 N16 O4 -","4","2","","Chylewska, Agnieszka; Ogryzek, Malgorzata; Głębocka, Angelika; Sikorski, Artur; Turecka, Katarzyna; Raczynska, Ewa; Makowski, Mariusz","Crystalline pyrazine-2-amidoxime isolated by diffusion method and its structural and behavioral analysis in the context of crystal engineering and microbiological activity","RSC Adv.","2016","","","","","10.1039/C6RA10537H","","","1.54184","CuKα","","0.0413","0.035","","","0.0842","0.0898","","","","","","1.094","","","","has coordinates","184049","2020-10-21","18:00:00",""
"7225754","10.4442","0.0007","13.1344","0.001","15.5974","0.0012","72.086","0.001","88.803","0.002","81.704","0.001","2014","0.3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C38 H34 Cl2 Ir N5 S2 -","- C38 H34 Cl2 Ir N5 S2 -","- C76 H68 Cl4 Ir2 N10 S4 -","2","1","","Mei, Qunbo; Chen, Chen; Tian, Ruqiang; Yang, Min; tong, bihai; Hua, Qingfang; Shi, Yujie; Fan, Quli; Ye, Shanghui","Highly Efficient Orange Phosphorescent Organic Light-Emitting Diodes Based on Iridium (III) Complex with Diethyldithiocarbamate (S^S) as the Ancillary Ligand","RSC Adv.","2016","","","","","10.1039/C6RA12529H","","","0.71073","MoKα","","0.037","0.0354","","","0.0955","0.0963","","","","","","3.029","","","","has coordinates","184050","2020-10-21","18:00:00",""
"7225755","4.3887","0.0003","23.7759","0.0018","11.1283","0.0009","90","","92.847","0.003","90","","1159.75","0.15","150","","150","","","","","","","","synthesis as described","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H5 I2 N O2 -","- C12 H5 I2 N O2 -","- C48 H20 I8 N4 O8 -","4","1","","HEDIDI, Madani; Erb, William; LASSAGNE, Frederic; Halauko, Yury; Ivashkevich, Oleg A.; Matulis, Vadim E.; Roisnel, Thierry; Bentabed-Ababsa, Ghenia; Mongin, Florence","Functionalization of pyridyl ketones using deprotolithiation-in situ zincation","RSC Adv.","2016","","","","","10.1039/C6RA11370B","","x-ray","0.71073","MoKα","","0.0265","0.0225","","","0.0501","0.0514","","","","","","1.217","","","","has coordinates","184051","2020-10-21","18:00:00",""
"7225756","8.1791","0.0003","15.133","0.0009","14.8514","0.001","90","","100.614","0.002","90","","1806.77","0.18","150","2","150","2","","","","","","","synthesis as described","3","P 1 21/c 1","-P 2ybc","14","","","","- C26 H16 O2 -","- C26 H16 O2 -","- C104 H64 O8 -","4","1","","HEDIDI, Madani; Erb, William; LASSAGNE, Frederic; Halauko, Yury; Ivashkevich, Oleg A.; Matulis, Vadim E.; Roisnel, Thierry; Bentabed-Ababsa, Ghenia; Mongin, Florence","Functionalization of pyridyl ketones using deprotolithiation-in situ zincation","RSC Adv.","2016","","","","","10.1039/C6RA11370B","","x-ray","0.71073","MoKα","","0.0805","0.0541","","","0.1243","0.1374","","","","","","1.045","","","","has coordinates","184051","2020-10-21","18:00:00",""
"7225757","17.4324","0.0015","4.1685","0.0004","15.7648","0.0016","90","","95.635","0.004","90","","1140.04","0.19","150","","150","","","","","","","","synthesis as described","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H5 I2 N O -","- C12 H5 I2 N O -","- C48 H20 I8 N4 O4 -","4","1","","HEDIDI, Madani; Erb, William; LASSAGNE, Frederic; Halauko, Yury; Ivashkevich, Oleg A.; Matulis, Vadim E.; Roisnel, Thierry; Bentabed-Ababsa, Ghenia; Mongin, Florence","Functionalization of pyridyl ketones using deprotolithiation-in situ zincation","RSC Adv.","2016","","","","","10.1039/C6RA11370B","","x-ray","0.71073","MoKα","","0.0471","0.0428","","","0.1039","0.106","","","","","","1.119","","","","has coordinates","184051","2020-10-21","18:00:00",""
"7225758","14.4715","0.0011","20.1344","0.0015","20.747","0.0016","90","","98.1469","0.001","90","","5984.1","0.8","90","0.2","90","0.2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C120 H120 Au8 N4 O8 P8 S2 -","- C120 H120 Au8 N4 O8 P8 S2 -","- C240 H240 Au16 N8 O16 P16 S4 -","2","0.5","","Iwasaki, Mitsuhiro; Kobayashi, Naoki; Shichibu, Yukatsu; Konishi, Katsuaki","Facile modulation of optical properties of octagold clusters through the control of ligand-mediated interactions.","Physical chemistry chemical physics : PCCP","2016","18","28","19433","19439","10.1039/c6cp03129c","","","0.71073","MoKα","","0.0769","0.0541","","","0.1386","0.1678","","","","","","1.12","","","","has coordinates,has disorder","185675","2020-10-21","18:00:00",""
"7225759","33.432","0.006","17.913","0.003","24.121","0.004","90","","102.277","0.002","90","","14115","4","90","0.2","90","0.2","","","","","","","","10","C 1 2/c 1","-C 2yc","15","","","","- C121 H122 Au8 B2 Cl4 F8 N2 O P8 S2 -","- C121 H122 Au8 B2 Cl4 F8 N2 O P8 S2 -","- C484 H488 Au32 B8 Cl16 F32 N8 O4 P32 S8 -","4","0.5","","Iwasaki, Mitsuhiro; Kobayashi, Naoki; Shichibu, Yukatsu; Konishi, Katsuaki","Facile modulation of optical properties of octagold clusters through the control of ligand-mediated interactions.","Physical chemistry chemical physics : PCCP","2016","18","28","19433","19439","10.1039/c6cp03129c","","","0.71073","MoKα","","0.1178","0.0659","","","0.1743","0.2099","","","","","","1.061","","","","has coordinates,has disorder","185675","2020-10-21","18:00:00",""
"7225760","12.494","0.0017","15.187","0.002","20.2212","0.0019","90","","126.581","0.006","90","","3081.1","0.7","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C35 H30 Co N4 O6 -","- C35 H30 Co N4 O6 -","- C140 H120 Co4 N16 O24 -","4","1","","kang, zhenhui; Li, Kaixuan; hu, hai liang; Liu, Beibei; Lin, Xiaoling; Huang, Hui; liu, yang","Coordinate-polymerized organic ligand towards efficient catalyst for selective hydrocarbons oxidation","RSC Adv.","2016","","","","","10.1039/C6RA12422D","","","0.71073","MoKα","","0.0653","0.0421","","","0.1079","0.1228","","","","","","1.009","","","","has coordinates","184070","2020-10-21","18:00:00",""
"7225761","12.2829","0.0007","14.9256","0.0008","20.7045","0.0009","90","","125.874","0.002","90","","3075.7","0.3","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C35 H30 N4 O6 Zn -","- C35 H30 N4 O6 Zn -","- C140 H120 N16 O24 Zn4 -","4","1","","kang, zhenhui; Li, Kaixuan; hu, hai liang; Liu, Beibei; Lin, Xiaoling; Huang, Hui; liu, yang","Coordinate-polymerized organic ligand towards efficient catalyst for selective hydrocarbons oxidation","RSC Adv.","2016","","","","","10.1039/C6RA12422D","","","0.71073","MoKα","","0.0707","0.0486","","","0.1176","0.1298","","","","","","1.031","","","","has coordinates","184070","2020-10-21","18:00:00",""
"7225762","11.51","0.0011","12.0412","0.0012","13.0266","0.0012","97.693","0.002","107.578","0.002","100.029","0.002","1661","0.3","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C35 H32 Cd N4 O7 -","- C35 H32 Cd N4 O7 -","- C70 H64 Cd2 N8 O14 -","2","1","","kang, zhenhui; Li, Kaixuan; hu, hai liang; Liu, Beibei; Lin, Xiaoling; Huang, Hui; liu, yang","Coordinate-polymerized organic ligand towards efficient catalyst for selective hydrocarbons oxidation","RSC Adv.","2016","","","","","10.1039/C6RA12422D","","","0.71073","MoKα","","0.0322","0.026","","","0.0646","0.0666","","","","","","1.013","","","","has coordinates","184070","2020-10-21","18:00:00",""
"7225763","7.5875","0.0006","11.9287","0.0008","15.8232","0.0013","82.931","0.003","78.678","0.002","75.529","0.003","1355.58","0.18","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","(2E)-N-(2-methylphenyl)-2-{2-[(2-oxo-2H-chromen-3-yl)methoxy]benzylidene}hydrazinecarbothioamide, 1,4-dioxane solvate","","- C29 H28 N3 O5 S -","- C29 H29 N3 O5 S -","- C58 H58 N6 O10 S2 -","2","1","","Shafiq, Zahid; Hameed, Aminah; Yaqub, Muhammad; Hussain, Mazhar; Hameed, Abdul; Ashraf, Muhammad; Asghar, Humna; Ain, Qurat-ul-; Naseer, Muhammad Moazzam; Mahmood, Khalid; Muddassar, Muhammad; Tahir, Muhammad Nawaz","Coumarin-based thiosemicarbazones as potent urease inhibitors: synthesis, solid state self-assembly and molecular docking","RSC Adv.","2016","","","","","10.1039/C6RA12827K","","","0.71073","MoKα","","0.0671","0.044","","","0.1084","0.1223","","","","","","1.028","","","","has coordinates","184071","2020-10-21","18:00:00",""
"7225764","15.2365","0.0008","12.1008","0.0006","38.373","0.002","90","","90.113","0.002","90","","7075","0.6","100.15","","100.15","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C34 H44 Br2 N10 Ni O -","- C34 H44 Br2 N10 Ni O -","- C272 H352 Br16 N80 Ni8 O8 -","8","1","","Magubane, Makhosozane N.; Nyamato, George Simba; Ojwach, Stephen O.; Munro, Orde Q.","Structural, Kinetic, and DFT Studies of the Transfer Hydro-genation of Ketones Mediated by (Pyrazole)pyridine Iron(II) and Nickel(II) Complexes","RSC Adv.","2016","","","","","10.1039/C6RA12788F","","x-ray","0.71073","MoKα","K-L~3~","0.0418","0.0307","","","0.0662","0.0688","","","","","","1.059","","","","has coordinates","184072","2020-10-21","18:00:00",""
"7225765","10.4314","0.0008","11.0104","0.0008","18.8608","0.0013","90","","103.777","0.002","90","","2103.9","0.3","100","","100","","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C15 H25 Br2 N5 Ni O4 -","- C15 H25 Br2 N5 Ni O4 -","- C60 H100 Br8 N20 Ni4 O16 -","4","1","","Magubane, Makhosozane N.; Nyamato, George Simba; Ojwach, Stephen O.; Munro, Orde Q.","Structural, Kinetic, and DFT Studies of the Transfer Hydro-genation of Ketones Mediated by (Pyrazole)pyridine Iron(II) and Nickel(II) Complexes","RSC Adv.","2016","","","","","10.1039/C6RA12788F","","x-ray","0.71073","MoKα","","0.0153","0.015","","","0.0368","0.0369","","","","","","1.042","","","","has coordinates","184072","2020-10-21","18:00:00",""
"7225766","8.2931","0.0004","21.2269","0.001","10.6232","0.0005","90","","107.716","0.002","90","","1781.39","0.15","100","","100","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C15 H21 Cl2 N5 Ni O2 -","- C15 H21 Cl2 N5 Ni O2 -","- C60 H84 Cl8 N20 Ni4 O8 -","4","1","","Magubane, Makhosozane N.; Nyamato, George Simba; Ojwach, Stephen O.; Munro, Orde Q.","Structural, Kinetic, and DFT Studies of the Transfer Hydro-genation of Ketones Mediated by (Pyrazole)pyridine Iron(II) and Nickel(II) Complexes","RSC Adv.","2016","","","","","10.1039/C6RA12788F","","x-ray","0.71073","MoKα","","0.0207","0.0201","","","0.0531","0.0534","","","","","","1.029","","","","has coordinates","184072","2020-10-21","18:00:00",""
"7225767","13.7303","0.0012","14.9885","0.0013","15.6987","0.0013","89.62","0.004","64.621","0.004","63.481","0.004","2542.7","0.4","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C36 H46 Cl12 Fe3 N10 -","- C36 H46 Cl12 Fe3 N10 -","- C72 H92 Cl24 Fe6 N20 -","2","1","","Magubane, Makhosozane N.; Nyamato, George Simba; Ojwach, Stephen O.; Munro, Orde Q.","Structural, Kinetic, and DFT Studies of the Transfer Hydro-genation of Ketones Mediated by (Pyrazole)pyridine Iron(II) and Nickel(II) Complexes","RSC Adv.","2016","","","","","10.1039/C6RA12788F","","x-ray","0.71073","MoKα","","0.0994","0.0966","","","0.2454","0.2466","","","","","","1.183","","","","has coordinates,has disorder","184072","2020-10-21","18:00:00",""
"7225768","7.355","0.002","10.208","0.003","15.14","0.005","90","","90","","90","","1136.7","0.6","296.15","","296.15","","","","","","","","","4","P n 21 a","P -2ac -2n","33","","","","- C12 H11 N3 O3 -","- C12 H11 N3 O3 -","- C48 H44 N12 O12 -","4","1","","Wu, Fu-song; Tong, Wei; Liang, Ying; Wang, Hengshan; Teng, Qing-hu; Pan, Ying-ming","Cu(I)-Catalyzed Multicomponent Cascade Reactions of Terminal Alkynes, Unactivated Primary Alkyl Bromides, CO2 and NaN3","RSC Adv.","2016","","","","","10.1039/C6RA13080A","","","0.71073","MoKα","","0.0984","0.0591","","","0.1441","0.1692","","","","","","1.062","","","","has coordinates","184073","2020-10-21","18:00:00",""
"7225769","8.5162","0.0008","8.7051","0.0008","9.9918","0.0009","88.828","0.007","73.814","0.008","64.126","0.009","635.66","0.12","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C16 H16 N2 O -","- C16 H16 N2 O -","- C32 H32 N4 O2 -","2","1","","Wu, Chun-Ku; Yang, Ding-Yah","Visible-Light-Mediated Reaction: Synthesis of Quinazolinones from 1,2-Dihydroquinazoline 3-Oxides","RSC Adv.","2016","","","","","10.1039/C6RA13972H","","x-ray","0.71073","MoKα","","0.0678","0.0544","","","0.1418","0.1521","","","","","","1.032","","","","has coordinates","184074","2020-10-21","18:00:00",""
"7225770","9.1061","0.0004","14.8919","0.0008","17.2862","0.001","90","","90","","90","","2344.1","0.2","150","2","150","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C15 H12 N2 O -","- C15 H12 N2 O -","- C120 H96 N16 O8 -","8","1","","Wu, Chun-Ku; Yang, Ding-Yah","Visible-Light-Mediated Reaction: Synthesis of Quinazolinones from 1,2-Dihydroquinazoline 3-Oxides","RSC Adv.","2016","","","","","10.1039/C6RA13972H","","x-ray","0.71073","MoKα","","0.0593","0.0471","","","0.1144","0.1225","","","","","","1.031","","","","has coordinates","184074","2020-10-21","18:00:00",""
"7225771","6.2999","0.0006","19.429","0.002","9.8817","0.001","90","","98.092","0.01","90","","1197.5","0.2","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H14 N2 O -","- C15 H14 N2 O -","- C60 H56 N8 O4 -","4","1","","Wu, Chun-Ku; Yang, Ding-Yah","Visible-Light-Mediated Reaction: Synthesis of Quinazolinones from 1,2-Dihydroquinazoline 3-Oxides","RSC Adv.","2016","","","","","10.1039/C6RA13972H","","x-ray","0.71073","MoKα","","0.0911","0.0634","","","0.1512","0.1741","","","","","","1.04","","","","has coordinates","184074","2020-10-21","18:00:00",""
"7225772","8.9602","0.0013","10.7764","0.0016","19.041","0.003","75.382","0.002","83.782","0.002","69.363","0.002","1664.5","0.4","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H28 La2 N4 O19 -","- C24 H16 La2 N4 O15 -","- C48 H32 La4 N8 O30 -","2","1","","Lin, Xiao-Ming; Niu, Ji-Liang; Wen, Pei-Xian; Lu, Yan-Na; Hu, Lei; Zhang, Da-Liang; Cai, Yue-Peng","From 1D to 3D Lanthanide Coordination Polymers Constructed with Pyridine-3, 5-dicarboxylic Acid: Synthesis, Crystal Structures, and Catalytic Properties","RSC Adv.","2016","","","","","10.1039/C6RA13242A","","","0.71073","MoKα","","0.0433","0.0395","","","0.098","0.1004","","","","","","1.038","","","","has coordinates,has disorder","184075","2020-10-21","18:00:00",""
"7225773","8.8723","0.0012","10.7152","0.0015","18.92","0.003","75.496","0.002","83.797","0.002","69.336","0.002","1629","0.4","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H28 N4 O19 Pr2 -","- C24 H20 N4 O15 Pr2 -","- C48 H40 N8 O30 Pr4 -","2","1","","Lin, Xiao-Ming; Niu, Ji-Liang; Wen, Pei-Xian; Lu, Yan-Na; Hu, Lei; Zhang, Da-Liang; Cai, Yue-Peng","From 1D to 3D Lanthanide Coordination Polymers Constructed with Pyridine-3, 5-dicarboxylic Acid: Synthesis, Crystal Structures, and Catalytic Properties","RSC Adv.","2016","","","","","10.1039/C6RA13242A","","","0.71073","MoKα","","0.0355","0.0299","","","0.0757","0.0791","","","","","","1.017","","","","has coordinates,has disorder","184075","2020-10-21","18:00:00",""
"7225774","8.8475","0.0018","10.716","0.002","18.895","0.004","75.521","0.002","83.777","0.002","69.306","0.002","1622.2","0.6","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H28 N4 O19 Sm2 -","- C24 H20 N4 O15 Sm2 -","- C48 H40 N8 O30 Sm4 -","2","1","","Lin, Xiao-Ming; Niu, Ji-Liang; Wen, Pei-Xian; Lu, Yan-Na; Hu, Lei; Zhang, Da-Liang; Cai, Yue-Peng","From 1D to 3D Lanthanide Coordination Polymers Constructed with Pyridine-3, 5-dicarboxylic Acid: Synthesis, Crystal Structures, and Catalytic Properties","RSC Adv.","2016","","","","","10.1039/C6RA13242A","","","0.71073","MoKα","","0.0622","0.0564","","","0.1547","0.1605","","","","","","1.026","","","","has coordinates","184075","2020-10-21","18:00:00",""
"7225775","10.0739","0.0019","20.13","0.004","17.349","0.003","90","","113.934","0.008","90","","3215.6","1.1","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H28 N4 O19 Tb2 -","- C22 H20 N3 O19 Tb2 -","- C88 H80 N12 O76 Tb8 -","4","1","","Lin, Xiao-Ming; Niu, Ji-Liang; Wen, Pei-Xian; Lu, Yan-Na; Hu, Lei; Zhang, Da-Liang; Cai, Yue-Peng","From 1D to 3D Lanthanide Coordination Polymers Constructed with Pyridine-3, 5-dicarboxylic Acid: Synthesis, Crystal Structures, and Catalytic Properties","RSC Adv.","2016","","","","","10.1039/C6RA13242A","","","0.71073","MoKα","","0.0304","0.0248","","","0.0555","0.058","","","","","","1.028","","","","has coordinates","198633","2020-10-21","18:00:00",""
"7225776","10.069","0.0009","20.0854","0.0019","17.3482","0.0013","90","","113.898","0.004","90","","3207.7","0.5","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H28 Ho2 N4 O19 -","- C22 H20 Ho2 N3 O19 -","- C88 H80 Ho8 N12 O76 -","4","1","","Lin, Xiao-Ming; Niu, Ji-Liang; Wen, Pei-Xian; Lu, Yan-Na; Hu, Lei; Zhang, Da-Liang; Cai, Yue-Peng","From 1D to 3D Lanthanide Coordination Polymers Constructed with Pyridine-3, 5-dicarboxylic Acid: Synthesis, Crystal Structures, and Catalytic Properties","RSC Adv.","2016","","","","","10.1039/C6RA13242A","","","0.71073","MoKα","","0.029","0.0251","","","0.063","0.0645","","","","","","1.068","","","","has coordinates","198633","2020-10-21","18:00:00",""
"7225777","21.091","0.005","11.959","0.002","9.622","0.0019","90","","100.456","0.004","90","","2386.6","0.8","296","2","296","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C21 H18 Er N3 O15 -","- C21 H18 Er N3 O15 -","- C84 H72 Er4 N12 O60 -","4","1","","Lin, Xiao-Ming; Niu, Ji-Liang; Wen, Pei-Xian; Lu, Yan-Na; Hu, Lei; Zhang, Da-Liang; Cai, Yue-Peng","From 1D to 3D Lanthanide Coordination Polymers Constructed with Pyridine-3, 5-dicarboxylic Acid: Synthesis, Crystal Structures, and Catalytic Properties","RSC Adv.","2016","","","","","10.1039/C6RA13242A","","","0.71073","MoKα","","0.0308","0.0302","","","0.079","0.0796","","","","","","1.076","","","","has coordinates","184075","2020-10-21","18:00:00",""
"7225778","20.994","0.014","11.889","0.008","9.577","0.006","90","","100.552","0.007","90","","2350","3","296","2","296","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C21 H18 Lu N3 O15 -","- C21 H18 Lu N3 O15 -","- C84 H72 Lu4 N12 O60 -","4","1","","Lin, Xiao-Ming; Niu, Ji-Liang; Wen, Pei-Xian; Lu, Yan-Na; Hu, Lei; Zhang, Da-Liang; Cai, Yue-Peng","From 1D to 3D Lanthanide Coordination Polymers Constructed with Pyridine-3, 5-dicarboxylic Acid: Synthesis, Crystal Structures, and Catalytic Properties","RSC Adv.","2016","","","","","10.1039/C6RA13242A","","","0.71073","MoKα","","0.0452","0.0412","","","0.0907","0.0939","","","","","","1.033","","","","has coordinates","184075","2020-10-21","18:00:00",""
"7225779","7.1649","0.0011","7.1976","0.0011","25.276","0.004","92.384","0.003","92.571","0.003","90.05","0.003","1301","0.3","296","2","296","2","","","","","","","","3","P -1","-P 1","2","","","","- C17 H12 O2 -","- C17 H12 O2 -","- C68 H48 O8 -","4","2","","Zhang, Wen-Zhen; Yang, Ming-Wang; Lu, Xiao-Bing","Carboxylative cyclization of substituted propenyl ketones using CO2: transition-metal-free synthesis of α-pyrones","Green Chem.","2016","18","15","4181","","10.1039/C6GC01346E","","","0.71073","MoKα","","0.0921","0.0817","","","0.251","0.2593","","","","","","1.059","","","","has coordinates","185555","2020-10-21","18:00:00",""
"7225780","17.021","0.0011","12.1614","0.0006","18.8076","0.0008","90","","97.13","0.005","90","","3863.1","0.4","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C35 H36 Cl2 Gd N7 O11 -","- C35 H36 Cl2 Gd N7 O11 -","- C140 H144 Cl8 Gd4 N28 O44 -","4","1","","Alyapyshev, Mikhail; Ashina, Julia; Dar'in, Dmitry; Kenf, Ekaterina V.; Kirsanov, Dmitry; Tkachenko, Lyudmila I.; Legin, Andrey; Starova, Galina L.; Babain, Vasiliy","1,10-phenanthroline-2,9-dicarboxamides as ligands for separation and sensing of hazardous metals","RSC Adv.","2016","","","","","10.1039/C6RA08946A","","","0.7107","MoKα","","0.1137","0.0702","","","0.1363","0.1659","","","","","","1.074","","","","has coordinates","184094","2020-10-21","18:00:00",""
"7225781","18.5779","0.0009","19.4068","0.0008","20.2775","0.001","90","","113.656","0.006","90","","6696.5","0.6","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C69 H72 Cl2 N10 O11 Zn -","- C69 H72 Cl2 N10 O11 Zn -","- C276 H288 Cl8 N40 O44 Zn4 -","4","1","","Alyapyshev, Mikhail; Ashina, Julia; Dar'in, Dmitry; Kenf, Ekaterina V.; Kirsanov, Dmitry; Tkachenko, Lyudmila I.; Legin, Andrey; Starova, Galina L.; Babain, Vasiliy","1,10-phenanthroline-2,9-dicarboxamides as ligands for separation and sensing of hazardous metals","RSC Adv.","2016","","","","","10.1039/C6RA08946A","","","0.7107","MoKα","","0.1786","0.1057","","","0.219","0.2623","","","","","","0.984","","","","has coordinates,has disorder","184094","2020-10-21","18:00:00",""
"7225782","18.4291","0.0011","19.787","0.002","20.008","0.0012","90","","113.374","0.007","90","","6697.3","1","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C69 H70 Cl2 Cu N9 O7 -","- C69 H70 Cl2 Cu N9 O7 -","- C276 H280 Cl8 Cu4 N36 O28 -","4","1","","Alyapyshev, Mikhail; Ashina, Julia; Dar'in, Dmitry; Kenf, Ekaterina V.; Kirsanov, Dmitry; Tkachenko, Lyudmila I.; Legin, Andrey; Starova, Galina L.; Babain, Vasiliy","1,10-phenanthroline-2,9-dicarboxamides as ligands for separation and sensing of hazardous metals","RSC Adv.","2016","","","","","10.1039/C6RA08946A","","","0.7107","MoKα","","0.0927","0.0676","","","0.1895","0.2102","","","","","","1.068","","","","has coordinates,has disorder","184094","2020-10-21","18:00:00",""
"7225783","24.5353","0.0009","19.3002","0.0006","17.7952","0.0006","90","","125.906","0.002","90","","6825.4","0.4","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C275 H272 Cl6 La4 N48 O64 -","- C275 H272 Cl6 La4 N48 O64 -","- C275 H272 Cl6 La4 N48 O64 -","1","0.125","","Alyapyshev, Mikhail; Ashina, Julia; Dar'in, Dmitry; Kenf, Ekaterina V.; Kirsanov, Dmitry; Tkachenko, Lyudmila I.; Legin, Andrey; Starova, Galina L.; Babain, Vasiliy","1,10-phenanthroline-2,9-dicarboxamides as ligands for separation and sensing of hazardous metals","RSC Adv.","2016","","","","","10.1039/C6RA08946A","","","0.7107","MoKα","","0.0671","0.0495","","","0.1193","0.1309","","","","","","1.044","","","","has coordinates","184094","2020-10-21","18:00:00",""
"7225784","14.2531","0.0004","16.5873","0.0005","17.4309","0.0005","69.773","0.003","81.128","0.003","70.968","0.003","3651.5","0.2","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C71 H68 Cd N11 O13 -","- C71 H68 Cd N11 O13 -","- C142 H136 Cd2 N22 O26 -","2","1","","Alyapyshev, Mikhail; Ashina, Julia; Dar'in, Dmitry; Kenf, Ekaterina V.; Kirsanov, Dmitry; Tkachenko, Lyudmila I.; Legin, Andrey; Starova, Galina L.; Babain, Vasiliy","1,10-phenanthroline-2,9-dicarboxamides as ligands for separation and sensing of hazardous metals","RSC Adv.","2016","","","","","10.1039/C6RA08946A","","","0.7107","MoKα","","0.0516","0.0443","","","0.1172","0.1224","","","","","","1.074","","","","has coordinates","184094","2020-10-21","18:00:00",""
"7225785","17.0469","0.0016","12.1752","0.0005","19.0227","0.0009","90","","96.881","0.006","90","","3919.7","0.4","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C35 H36 Cl2 N7 Nd O11 -","- C35 H36 Cl2 N7 Nd O11 -","- C140 H144 Cl8 N28 Nd4 O44 -","4","1","","Alyapyshev, Mikhail; Ashina, Julia; Dar'in, Dmitry; Kenf, Ekaterina V.; Kirsanov, Dmitry; Tkachenko, Lyudmila I.; Legin, Andrey; Starova, Galina L.; Babain, Vasiliy","1,10-phenanthroline-2,9-dicarboxamides as ligands for separation and sensing of hazardous metals","RSC Adv.","2016","","","","","10.1039/C6RA08946A","","","0.7107","MoKα","","0.1896","0.09","","","0.1107","0.1443","","","","","","0.987","","","","has coordinates","184094","2020-10-21","18:00:00",""
"7225786","12.6235","0.0002","16.225","0.0004","18.622","0.0004","90.7497","0.0018","103.79","0.0018","102.411","0.0017","3609.26","0.14","130","2","130","2","","","","","","","","6","P -1","-P 1","2","","","","- C67 H68 Cl8 I2 N4 O10 -","- C67 H68 Cl8 I2 N4 O10 -","- C134 H136 Cl16 I4 N8 O20 -","2","1","","Eichstaedt, K.; Wicher, B.; Gdaniec, M.; Połoński, T.","Halogen bonded polypseudorotaxanes based on a pillar[5]arene host","CrystEngComm","2016","18","31","5807","","10.1039/C6CE01416J","","","1.54184","CuKα","","0.0643","0.0544","","","0.1408","0.1513","","","","","","1.059","","","","has coordinates,has disorder","185249","2020-10-21","18:00:00",""
"7225787","11.6992","0.0001","14.9802","0.0002","20.2256","0.0003","72.161","0.001","83.489","0.001","73.806","0.001","3238.85","0.07","130","2","130","2","","","","","","","","5","P -1","-P 1","2","","","","- C139 H152 I4 N8 O20 -","- C139 H152 I4 N8 O20 -","- C139 H152 I4 N8 O20 -","1","0.5","","Eichstaedt, K.; Wicher, B.; Gdaniec, M.; Połoński, T.","Halogen bonded polypseudorotaxanes based on a pillar[5]arene host","CrystEngComm","2016","18","31","5807","","10.1039/C6CE01416J","","","1.54184","CuKα","","0.0362","0.0359","","","0.0987","0.0991","","","","","","1.041","","","","has coordinates,has disorder","185249","2020-10-21","18:00:00",""
"7225788","20.04603","0.00013","23.88917","0.00014","14.22073","0.0001","90","","90","","90","","6810.07","0.08","130","2","130","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C67 H68 F8 I4 N4 O12 -","- C67 H66 F8 I4 N4 O12 -","- C268 H264 F32 I16 N16 O48 -","4","0.5","","Eichstaedt, K.; Wicher, B.; Gdaniec, M.; Połoński, T.","Halogen bonded polypseudorotaxanes based on a pillar[5]arene host","CrystEngComm","2016","18","31","5807","","10.1039/C6CE01416J","","","1.54184","CuKα","","0.0471","0.046","","","0.1036","0.1041","","","","","","1.178","","","","has coordinates","185249","2020-10-21","18:00:00",""
"7225789","13.058","0.003","17.418","0.004","20.041","0.004","90","","108.21","0.03","90","","4329.9","1.8","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C38.5 H48.5 Co N9.5 O7.5 -","- C35.5 H41.5 Co N8.5 O6.5 -","- C142 H166 Co4 N34 O26 -","4","1","","Hall, Gregory S.; Angeles, Melissa J.; Hicks, Jamie; Turner, David R.","Centric and acentric networks using low-symmetry heterotopic carboxylate/pyridyl ligands","CrystEngComm","2016","18","35","6614","","10.1039/C6CE01000H","","","0.7109","synchrotron","","0.1076","0.0887","","","0.2908","0.3118","","","","","","1.246","","","","has coordinates,has disorder","186346","2020-10-21","18:00:00",""
"7225790","10.156","0.002","11.554","0.002","15.972","0.003","83.61","0.03","88.74","0.03","71.26","0.03","1763.6","0.7","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C34 H38 Cd N8 O6 -","- C34 H38 Cd N8 O6 -","- C68 H76 Cd2 N16 O12 -","2","1","","Hall, Gregory S.; Angeles, Melissa J.; Hicks, Jamie; Turner, David R.","Centric and acentric networks using low-symmetry heterotopic carboxylate/pyridyl ligands","CrystEngComm","2016","18","35","6614","","10.1039/C6CE01000H","","","0.7109","synchrotron","","0.0385","0.0342","","","0.0821","0.0841","","","","","","1.098","","","","has coordinates,has disorder","186346","2020-10-21","18:00:00",""
"7225791","10.0203","0.0004","11.3836","0.0004","15.9371","0.0005","82.852","0.001","87.396","0.001","72.518","0.001","1720.39","0.11","123","2","123","2","","","","","","","","5","P -1","-P 1","2","","","","- C34 H38 N8 O6 Zn -","- C34 H38 N8 O6 Zn -","- C68 H76 N16 O12 Zn2 -","2","1","","Hall, Gregory S.; Angeles, Melissa J.; Hicks, Jamie; Turner, David R.","Centric and acentric networks using low-symmetry heterotopic carboxylate/pyridyl ligands","CrystEngComm","2016","18","35","6614","","10.1039/C6CE01000H","","","0.71073","MoKα","","0.0545","0.0398","","","0.0911","0.0973","","","","","","1.061","","","","has coordinates,has disorder","186346","2020-10-21","18:00:00",""
"7225792","16.7033","0.0017","9.3648","0.0009","19.686","0.003","90","","108.139","0.005","90","","2926.3","0.6","123","2","123","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C31 H31 Cu N7 O5 -","- C31 H31 Cu N7 O5 -","- C124 H124 Cu4 N28 O20 -","4","0.5","","Hall, Gregory S.; Angeles, Melissa J.; Hicks, Jamie; Turner, David R.","Centric and acentric networks using low-symmetry heterotopic carboxylate/pyridyl ligands","CrystEngComm","2016","18","35","6614","","10.1039/C6CE01000H","","","0.71073","MoKα","","0.1287","0.0584","","","0.1153","0.1459","","","","","","0.961","","","","has coordinates,has disorder","186346","2020-10-21","18:00:00",""
"7225793","7.965","0.0016","8.04","0.0016","20.311","0.004","81.56","0.03","85.94","0.03","86.61","0.03","1281.8","0.5","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H26 N6 O5 Zn -","- C28 H26 N6 O5 Zn -","- C56 H52 N12 O10 Zn2 -","2","1","","Hall, Gregory S.; Angeles, Melissa J.; Hicks, Jamie; Turner, David R.","Centric and acentric networks using low-symmetry heterotopic carboxylate/pyridyl ligands","CrystEngComm","2016","18","35","6614","","10.1039/C6CE01000H","","","0.7109","synchrotron","","0.0916","0.0557","","","0.1239","0.1489","","","","","","1.043","","","","has coordinates","186346","2020-10-21","18:00:00",""
"7225794","12.344","0.0017","12.344","0.0017","17.575","0.004","90","","90","","90","","2678","0.8","100","2","100","2","","","","","","","","5","P 41 21 2","P 4abw 2nw","92","","","","- C28 H27 N6 O5.5 Zn -","- C28 H24 N6 O4 Zn -","- C112 H96 N24 O16 Zn4 -","4","0.5","","Hall, Gregory S.; Angeles, Melissa J.; Hicks, Jamie; Turner, David R.","Centric and acentric networks using low-symmetry heterotopic carboxylate/pyridyl ligands","CrystEngComm","2016","18","35","6614","","10.1039/C6CE01000H","","","0.7108","synchrotron","","0.0364","0.0362","","","0.1185","0.1189","","","","","","1.157","","","","has coordinates","186346","2020-10-21","18:00:00",""
"7225795","12.469","0.0018","12.469","0.0018","17.439","0.003","90","","90","","90","","2711.3","0.7","100","2","100","2","","","","","","","","5","P 41 21 2","P 4abw 2nw","92","","","","- C28 H27 Cd N6 O5.5 -","- C28 H24 Cd N6 O4 -","- C112 H96 Cd4 N24 O16 -","4","0.5","","Hall, Gregory S.; Angeles, Melissa J.; Hicks, Jamie; Turner, David R.","Centric and acentric networks using low-symmetry heterotopic carboxylate/pyridyl ligands","CrystEngComm","2016","18","35","6614","","10.1039/C6CE01000H","","","0.7108","synchrotron","","0.0274","0.027","","","0.0661","0.0663","","","","","","1.127","","","","has coordinates","186346","2020-10-21","18:00:00",""
"7225796","14.792","0.002","14.792","0.002","18.957","0.004","90","","90","","120","","3592.1","1","100","2","100","2","","","","","","","","5","P 31 2 1","P 31 2""","152","","","","- C28 H38 N6 Ni O11 -","- C28 H24 N6 Ni O4 -","- C84 H72 N18 Ni3 O12 -","3","0.5","","Hall, Gregory S.; Angeles, Melissa J.; Hicks, Jamie; Turner, David R.","Centric and acentric networks using low-symmetry heterotopic carboxylate/pyridyl ligands","CrystEngComm","2016","18","35","6614","","10.1039/C6CE01000H","","","0.7109","synchrotron","","0.0279","0.0271","","","0.0757","0.0762","","","","","","1.042","","","","has coordinates","186346","2020-10-21","18:00:00",""
"7225797","14.78","0.002","14.78","0.002","19.179","0.004","90","","90","","120","","3628.3","1","100","2","100","2","","","","","","","","5","P 31 2 1","P 31 2""","152","","","","- C28 H56 Co N6 O20 -","- C28 H24 Co N6 O4 -","- C84 H72 Co3 N18 O12 -","3","0.5","","Hall, Gregory S.; Angeles, Melissa J.; Hicks, Jamie; Turner, David R.","Centric and acentric networks using low-symmetry heterotopic carboxylate/pyridyl ligands","CrystEngComm","2016","18","35","6614","","10.1039/C6CE01000H","","","0.7108","synchrotron","","0.0747","0.0379","","","0.0807","0.0922","","","","","","0.92","","","","has coordinates","186346","2020-10-21","18:00:00",""
"7225798","9.484","0.0019","14.148","0.003","9.994","0.002","90","","109.45","0.03","90","","1264.5","0.5","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C14 H13 N3 O2 -","- C14 H13 N3 O2 -","- C56 H52 N12 O8 -","4","1","","Hall, Gregory S.; Angeles, Melissa J.; Hicks, Jamie; Turner, David R.","Centric and acentric networks using low-symmetry heterotopic carboxylate/pyridyl ligands","CrystEngComm","2016","18","35","6614","","10.1039/C6CE01000H","","","0.71073","synchrotron","","0.072","0.0627","","","0.164","0.1734","","","","","","1.026","","","","has coordinates","186346","2020-10-21","18:00:00",""
"7225799","9.801","0.002","13.736","0.003","14.268","0.003","79.99","0.03","80.75","0.03","85","0.03","1863.5","0.7","100","2","100","2","","","","","","","","4","P 1","P 1","1","","","","- C14 H13 N3 O2 -","- C14 H13 N3 O2 -","- C84 H78 N18 O12 -","6","6","","Hall, Gregory S.; Angeles, Melissa J.; Hicks, Jamie; Turner, David R.","Centric and acentric networks using low-symmetry heterotopic carboxylate/pyridyl ligands","CrystEngComm","2016","18","35","6614","","10.1039/C6CE01000H","","","0.7109","synchrotron","","0.0618","0.0583","","","0.159","0.1629","","","","","","1.061","","","","has coordinates","186346","2020-10-21","18:00:00",""
"7225800","9.875","0.002","9.422","0.0019","18.577","0.004","90","","104.92","0.03","90","","1670.2","0.6","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C17 H20 N4 O3 -","- C17 H20 N4 O3 -","- C68 H80 N16 O12 -","4","1","","Hall, Gregory S.; Angeles, Melissa J.; Hicks, Jamie; Turner, David R.","Centric and acentric networks using low-symmetry heterotopic carboxylate/pyridyl ligands","CrystEngComm","2016","18","35","6614","","10.1039/C6CE01000H","","","0.7108","Synchrotron","","0.0581","0.0489","","","0.1342","0.1409","","","","","","1.033","","","","has coordinates","186346","2020-10-21","18:00:00",""
"7225801","13.152","0.003","8.441","0.0017","11.502","0.002","90","","90","","90","","1276.9","0.4","100","2","100","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C14 H13 N3 O2 -","- C14 H13 N3 O2 -","- C56 H52 N12 O8 -","4","1","","Hall, Gregory S.; Angeles, Melissa J.; Hicks, Jamie; Turner, David R.","Centric and acentric networks using low-symmetry heterotopic carboxylate/pyridyl ligands","CrystEngComm","2016","18","35","6614","","10.1039/C6CE01000H","","","0.7109","synchrotron","","0.0433","0.0411","","","0.1059","0.1133","","","","","","1.069","","","","has coordinates","186346","2020-10-21","18:00:00",""
"7225802","12.4973","0.0002","24.2521","0.0003","30.8995","0.0004","90","","90","","90","","9365.2","0.2","113","2","113","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C22.25 H15.5 Cl3.5 N4 O2 S -","- C22.25 H15.5 Cl3.5 N4 O2 S -","- C356 H248 Cl56 N64 O32 S16 -","16","4","","Cui, Liying; Wang, Youming; ZHOU, Zhenghong","Enantioselective construction of novel chiral spirooxindoles incorporated thiazole nucleus","RSC Adv.","2016","","","","","10.1039/C6RA14178A","","","0.71073","MoKα","","0.0621","0.0587","","","0.1683","0.172","","","","","","1.094","","","","has coordinates,has disorder","184145","2020-10-21","18:00:00",""
"7225803","16.9751","0.0005","20.3272","0.0006","20.5345","0.0006","90.308","0.002","105.442","0.003","107.538","0.003","6484","0.4","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C36 H35 N5 O3 -","- C36 H35 N5 O3 -","- C288 H280 N40 O24 -","8","4","","Kumari, Chanda; Sain, Dibyendu; Kumar, Ashish; Debnath, Sushanta; Saha, Partha; Dey, Swapan","A real time colorimetric ‘two in one’ kit for tracking ppb levels of uric acid and Hg2+ in live HeLa S3 cells and Hg2+ induced keto‒enol tautomerism","RSC Adv.","2016","6","67","62990","","10.1039/C6RA06987H","","","0.71073","MoKα","","0.1336","0.1009","","","0.2605","0.2843","","","","","","1.018","","","","has coordinates","184146","2020-10-21","18:00:00",""
"7225804","35.1044","0.0007","35.1044","0.0007","11.7352","0.0004","90","","90","","90","","14461.5","0.6","293","2","293","2","","","","","","","","7","I 41/a","-I 4ad","88","","","","- C40 H32 Cu4 N24 O40 Si W12 -","- C40 H32 Cu4 N24 O40 Si W12 -","- C320 H256 Cu32 N192 O320 Si8 W96 -","8","","","Chen, Yan-Mei; Yu, Ying-Hui; Zhang, Han-Zhong; Hou, Guang-Feng; Gao, Jin-Sheng; Yan, Peng-Fei","Ligand-induced isomerization: from 3D to 2D→3D POMOFs constructed from silicotungstate anions, Cu(i) and 1,n-di(4H-1,2,4-triazol-4-yl)benzene (n = 3, 4) ligands","CrystEngComm","2016","18","34","6389","","10.1039/C6CE01174H","","","0.71073","MoKα","","0.1001","0.0665","","","0.1414","0.1608","","","","","","1.003","","","","has coordinates","186354","2020-10-21","18:00:00",""
"7225805","12.482","0.003","14.603","0.003","21.09","0.004","97.12","0.03","97.82","0.03","105.37","0.03","3620.3","1.5","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C40 H32 Cu4 N24 O40 Si W12 -","- C40 H32 Cu4 N24 O40 Si W12 -","- C80 H64 Cu8 N48 O80 Si2 W24 -","2","1","","Chen, Yan-Mei; Yu, Ying-Hui; Zhang, Han-Zhong; Hou, Guang-Feng; Gao, Jin-Sheng; Yan, Peng-Fei","Ligand-induced isomerization: from 3D to 2D→3D POMOFs constructed from silicotungstate anions, Cu(i) and 1,n-di(4H-1,2,4-triazol-4-yl)benzene (n = 3, 4) ligands","CrystEngComm","2016","18","34","6389","","10.1039/C6CE01174H","","","0.71073","MoKα","","0.0845","0.0571","","","0.1172","0.129","","","","","","1.029","","","","has coordinates","186354","2020-10-21","18:00:00",""
"7225806","13.433","0.002","9.4245","0.0014","17.988","0.003","90","","94.098","0.002","90","","2271.4","0.6","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C25 H15 Ag3 N2 O7 -","- C25 H15 Ag3 N2 O7 -","- C100 H60 Ag12 N8 O28 -","4","1","","Song, Yang; Fan, Ruiqing; Du, Xi; Xing, Kai; Wang, Ping; Dong, Yuwei; Yang, Yulin","Effect of noncovalent interactions on Ag(i)/Cu(ii) supramolecular architecture for dual-functional luminescence and semiconductive properties","CrystEngComm","2016","18","34","6411","","10.1039/C6CE01106C","","","0.71073","MoKα","","0.0344","0.0283","","","0.0687","0.0714","","","","","","1.041","","","","has coordinates","186355","2020-10-21","18:00:00",""
"7225807","7.9925","0.0005","11.0074","0.0007","13.5766","0.0009","73.142","0.002","73.262","0.002","71.833","0.002","1060.17","0.12","171","2","171","2","","","","","","","","5","P -1","-P 1","2","","","","- C25 H17 Ag N2 O7 -","- C25 H17 Ag N2 O7 -","- C50 H34 Ag2 N4 O14 -","2","1","","Song, Yang; Fan, Ruiqing; Du, Xi; Xing, Kai; Wang, Ping; Dong, Yuwei; Yang, Yulin","Effect of noncovalent interactions on Ag(i)/Cu(ii) supramolecular architecture for dual-functional luminescence and semiconductive properties","CrystEngComm","2016","18","34","6411","","10.1039/C6CE01106C","","","0.71073","MoKα","","0.075","0.049","","","0.1306","0.1481","","","","","","1.001","","","","has coordinates","186355","2020-10-21","18:00:00",""
"7225808","10.0949","0.0007","24.2027","0.0015","10.3445","0.0008","90","","97.76","0.003","90","","2504.3","0.3","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C27 H21 Cu I0 N4 O9 -","- C27 H22 Cu N4 O9 -","- C108 H88 Cu4 N16 O36 -","4","1","","Song, Yang; Fan, Ruiqing; Du, Xi; Xing, Kai; Wang, Ping; Dong, Yuwei; Yang, Yulin","Effect of noncovalent interactions on Ag(i)/Cu(ii) supramolecular architecture for dual-functional luminescence and semiconductive properties","CrystEngComm","2016","18","34","6411","","10.1039/C6CE01106C","","","0.71073","MoKα","","0.0949","0.0512","","","0.1283","0.1528","","","","","","0.941","","","","has coordinates","186355","2020-10-21","18:00:00",""
"7225809","9.766","0.009","14.061","0.013","23.12","0.02","82.775","0.012","80.273","0.011","72.37","0.012","2973","5","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C66 H51 Ag3 N12 O16 -","- C66 H51 Ag3 N12 O16 -","- C132 H102 Ag6 N24 O32 -","2","1","","Song, Yang; Fan, Ruiqing; Du, Xi; Xing, Kai; Wang, Ping; Dong, Yuwei; Yang, Yulin","Effect of noncovalent interactions on Ag(i)/Cu(ii) supramolecular architecture for dual-functional luminescence and semiconductive properties","CrystEngComm","2016","18","34","6411","","10.1039/C6CE01106C","","","0.71073","MoKα","","0.0768","0.0577","","","0.1183","0.1433","","","","","","1.004","","","","has coordinates","186355","2020-10-21","18:00:00",""
"7225810","14.952","0.002","14.952","0.002","9.0826","0.0018","90","","90","","90","","2030.5","0.6","293","2","293","2","","","","","","","","5","P -4","P -4","81","C28 H41.70 N12.40 O18.45 Zn4","","","- C28 H41.7 N12.4 O18.45 Zn4 -","- C28 H31.2 N12.4 O18.45 Zn4 -","- C56 H62.4 N24.8 O36.9 Zn8 -","2","0.5","","Xiao, Yu; Wang, Shuai-Hua; Xu, Jian-Gang; Sun, Cai; Li, Rong; Zhao, Ya-Ping; Yan, Yong; Zheng, Fa-Kun; Guo, Guo-Cong","An enhanced extended hook method to realize tetranuclear metal clusters embedded in energetic metal‒organic framework channels","CrystEngComm","2016","18","31","5803","","10.1039/C6CE00892E","","","0.71073","MoKα","","0.0421","0.0393","","","0.1022","0.1033","","","","","","1.007","","","","has coordinates,has disorder","185254","2020-10-21","18:00:00",""
"7225811","15.8769","0.0005","23.5103","0.0008","23.1577","0.0008","90","","101.226","0.002","90","","8478.7","0.5","193","2","193","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C168 H241 Ho4 N27 O59 P6 -","- C86 H48 Ho4 N6 O39 P6 -","- C172 H96 Ho8 N12 O78 P12 -","2","1","","Ling, Yajing; Jiao, Jingjing; Zhang, Mingxing; Liu, Huimin; Bai, Dongjie; Feng, Yunlong; He, Yabing","A porous lanthanide metal‒organic framework based on a flexible cyclotriphosphazene-functionalized hexacarboxylate exhibiting selective gas adsorption","CrystEngComm","2016","18","33","6254","","10.1039/C6CE00497K","","","0.71073","MoKα","","0.0614","0.0561","","","0.1462","0.1525","","","","","","1.006","","","","has coordinates","186369","2020-10-21","18:00:00",""
"7225812","8.898","0.0018","9.247","0.0018","14.663","0.003","93.17","0.03","98.79","0.03","114.16","0.03","1078.5","0.5","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C24 H24 Cl N O Si -","- C24 H24 Cl N O Si -","- C48 H48 Cl2 N2 O2 Si2 -","2","1","","Batisai, Eustina; Su, Hong; Nassimbeni, Luigi R.","Synergism in host‒guest selectivity of picolinium chlorides by triphenylsilanol and triphenylmethanol","CrystEngComm","2016","18","31","5952","","10.1039/C6CE01233G","","","0.71073","MoKα","","0.0816","0.0561","","","0.1456","0.164","","","","","","1.057","","","","has coordinates,has disorder","185255","2020-10-21","18:00:00",""
"7225813","8.8297","0.0018","9.1147","0.0018","14.282","0.003","91.02","0.03","99.85","0.03","115.48","0.03","1016.9","0.5","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C25 H24 Cl N O -","- C25 H24 Cl N O -","- C50 H48 Cl2 N2 O2 -","2","1","","Batisai, Eustina; Su, Hong; Nassimbeni, Luigi R.","Synergism in host‒guest selectivity of picolinium chlorides by triphenylsilanol and triphenylmethanol","CrystEngComm","2016","18","31","5952","","10.1039/C6CE01233G","","","0.71073","MoKα","","0.0596","0.0384","","","0.0934","0.1058","","","","","","1.008","","","","has coordinates","185255","2020-10-21","18:00:00",""
"7225814","10.008","0.002","14.177","0.003","14.937","0.003","64.62","0.03","72.74","0.03","77.69","0.03","1819.4","0.8","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C42 H40 Cl N O2 Si2 -","- C42 H40 Cl N O2 Si2 -","- C84 H80 Cl2 N2 O4 Si4 -","2","1","","Batisai, Eustina; Su, Hong; Nassimbeni, Luigi R.","Synergism in host‒guest selectivity of picolinium chlorides by triphenylsilanol and triphenylmethanol","CrystEngComm","2016","18","31","5952","","10.1039/C6CE01233G","","","0.71073","MoKα","","0.1022","0.0516","","","0.1099","0.1314","","","","","","1.006","","","","has coordinates,has disorder","185255","2020-10-21","18:00:00",""
"7225815","8.5764","0.0017","8.9494","0.0018","15.567","0.003","89.44","0.03","85.34","0.03","63.17","0.03","1062.2","0.5","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C25 H26 Cl N O2 -","- C25 H26 Cl N O2 -","- C50 H52 Cl2 N2 O4 -","2","1","","Batisai, Eustina; Su, Hong; Nassimbeni, Luigi R.","Synergism in host‒guest selectivity of picolinium chlorides by triphenylsilanol and triphenylmethanol","CrystEngComm","2016","18","31","5952","","10.1039/C6CE01233G","","","0.71073","MoKα","","0.0563","0.0424","","","0.1048","0.1132","","","","","","1.022","","","","has coordinates","185255","2020-10-21","18:00:00",""
"7225816","8.761","0.0018","9.6081","0.0019","23.756","0.005","91.94","0.03","93.39","0.03","113.9","0.03","1821.4","0.8","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C42 H40 Cl N O2 Si2 -","- C42 H40 Cl N O2 Si2 -","- C84 H80 Cl2 N2 O4 Si4 -","2","1","","Batisai, Eustina; Su, Hong; Nassimbeni, Luigi R.","Synergism in host‒guest selectivity of picolinium chlorides by triphenylsilanol and triphenylmethanol","CrystEngComm","2016","18","31","5952","","10.1039/C6CE01233G","","","0.71073","MoKα","","0.0695","0.0531","","","0.141","0.1541","","","","","","1.039","","","","has coordinates,has disorder","185255","2020-10-21","18:00:00",""
"7225817","14.078","0.003","9.2242","0.0018","16.232","0.003","90","","96.74","0.03","90","","2093.3","0.7","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C25 H24 Cl N O -","- C25 H24 Cl N O -","- C100 H96 Cl4 N4 O4 -","4","1","","Batisai, Eustina; Su, Hong; Nassimbeni, Luigi R.","Synergism in host‒guest selectivity of picolinium chlorides by triphenylsilanol and triphenylmethanol","CrystEngComm","2016","18","31","5952","","10.1039/C6CE01233G","","","0.71073","MoKα","","0.0665","0.0403","","","0.0907","0.1047","","","","","","1.028","","","","has coordinates","185255","2020-10-21","18:00:00",""
"7225818","8.8493","0.0018","9.1507","0.0018","14.38","0.003","91.4","0.03","99.68","0.03","115.03","0.03","1034.1","0.5","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C24.73 H24 Cl N O Si0.27 -","- C24.729 H24 Cl N O Si0.271 -","- C49.458 H48 Cl2 N2 O2 Si0.542 -","2","1","","Batisai, Eustina; Su, Hong; Nassimbeni, Luigi R.","Synergism in host‒guest selectivity of picolinium chlorides by triphenylsilanol and triphenylmethanol","CrystEngComm","2016","18","31","5952","","10.1039/C6CE01233G","","","0.71073","MoKα","","0.0722","0.0588","","","0.1435","0.1527","","","","","","1.042","","","","has coordinates,has disorder","185255","2020-10-21","18:00:00",""
"7225819","8.8549","0.0018","9.148","0.0018","14.37","0.003","91.44","0.03","99.75","0.03","115.05","0.03","1033.2","0.5","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C24.76 H24 Cl N O Si0.24 -","- C24.756 H24 Cl N O Si0.244 -","- C49.512 H48 Cl2 N2 O2 Si0.488 -","2","1","","Batisai, Eustina; Su, Hong; Nassimbeni, Luigi R.","Synergism in host‒guest selectivity of picolinium chlorides by triphenylsilanol and triphenylmethanol","CrystEngComm","2016","18","31","5952","","10.1039/C6CE01233G","","","0.71073","MoKα","","0.0845","0.0646","","","0.146","0.1585","","","","","","1.042","","","","has coordinates,has disorder","185255","2020-10-21","18:00:00",""
"7225820","26.284","0.003","26.284","0.003","12.9228","0.0015","90","","90","","90","","8927.7","1.8","150","2","150","2","","","","","","","","6","I 41/a","-I 4ad","88","","","","- C62 H88 Cl4 Fe4 N16 O24 -","- C62 H88 Cl4 Fe4 N16 O24 -","- C248 H352 Cl16 Fe16 N64 O96 -","4","","","Pan, Jia-li; Guo, Qian; Yang, Bing; Li, Yu-yi; Cao, Jin-ge; Meng, Xiang-gao; Xiao, Feng-ping","Tetra-Fe(iii) and deca-Mn(iii) metallacrowns built from bis-salicylhydrazide ligands: synthesis, structures and magnetic properties","CrystEngComm","2016","18","33","6143","","10.1039/C6CE01100D","","","0.71073","MoKα","","0.0834","0.0607","","","0.1735","0.2001","","","","","","1.007","","","","has coordinates","186368","2020-10-21","18:00:00",""
"7225821","26.292","0.005","26.292","0.005","12.959","0.002","90","","90","","90","","8958","3","150","2","150","2","","","","","","","","6","I 41/a","-I 4ad","88","","","","- C62 H88 Br4 Fe4 N16 O24 -","- C62 H88 Br4 Fe4 N16 O24 -","- C248 H352 Br16 Fe16 N64 O96 -","4","","","Pan, Jia-li; Guo, Qian; Yang, Bing; Li, Yu-yi; Cao, Jin-ge; Meng, Xiang-gao; Xiao, Feng-ping","Tetra-Fe(iii) and deca-Mn(iii) metallacrowns built from bis-salicylhydrazide ligands: synthesis, structures and magnetic properties","CrystEngComm","2016","18","33","6143","","10.1039/C6CE01100D","","","0.71073","MoKα","","0.1033","0.0577","","","0.1471","0.1761","","","","","","1.011","","","","has coordinates,has disorder","186368","2020-10-21","18:00:00",""
"7225822","20.032","0.003","21.9","0.003","27.421","0.004","113.261","0.002","92.344","0.003","96.129","0.002","10943","3","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C117 H106 Cl10 Mn10 N26 O38 -","- C117 H106 Cl10 Mn10 N26 O38 -","- C234 H212 Cl20 Mn20 N52 O76 -","2","1","","Pan, Jia-li; Guo, Qian; Yang, Bing; Li, Yu-yi; Cao, Jin-ge; Meng, Xiang-gao; Xiao, Feng-ping","Tetra-Fe(iii) and deca-Mn(iii) metallacrowns built from bis-salicylhydrazide ligands: synthesis, structures and magnetic properties","CrystEngComm","2016","18","33","6143","","10.1039/C6CE01100D","","","0.71073","MoKα","","0.1432","0.0706","","","0.1595","0.1714","","","","","","0.986","","","","has coordinates","186368","2020-10-21","18:00:00",""
"7225823","20.239","0.009","21.285","0.009","26.335","0.011","113.598","0.006","91.571","0.007","95.727","0.006","10316","8","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C117 H106 Br10 Mn10 N26 O38 -","- C117 H106 Br10 Mn10 N26 O38 -","- C234 H212 Br20 Mn20 N52 O76 -","2","1","","Pan, Jia-li; Guo, Qian; Yang, Bing; Li, Yu-yi; Cao, Jin-ge; Meng, Xiang-gao; Xiao, Feng-ping","Tetra-Fe(iii) and deca-Mn(iii) metallacrowns built from bis-salicylhydrazide ligands: synthesis, structures and magnetic properties","CrystEngComm","2016","18","33","6143","","10.1039/C6CE01100D","","","0.71073","MoKα","","0.1638","0.0989","","","0.2351","0.2597","","","","","","1.133","","","","has coordinates","186368","2020-10-21","18:00:00",""
"7225824","6.9562","0.0003","19.7321","0.0008","13.4459","0.0006","90","","93.4175","0.0013","90","","1842.31","0.14","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C6 H10 N3 O5.5 S -","- C6 H10 N3 O5.5 S -","- C48 H80 N24 O44 S8 -","8","2","","de Melo, Cristiane C.; de Sousa Carvalho, Paulo; Diniz, Luan F.; D'Vries, Richard F.; Ayala, Alejandro P.; Ellena, Javier","Supramolecular synthesis and thermochemical investigations of pharmaceutical inorganic isoniazid salts","CrystEngComm","2016","18","34","6378","","10.1039/C6CE00969G","","","0.71073","MoKα","","0.046","0.0366","","","0.0929","0.0986","","","","","","1.0594","","","","has coordinates","192220","2020-10-21","18:00:00",""
"7225825","6.6307","0.0004","16.328","0.0013","7.4836","0.0005","90","","92.183","0.007","90","","809.63","0.1","290","2","290","2","","","","","","","synthesis as described","5","P 1 21/c 1","-P 2ybc","14","","","","- C6 H8 Br N3 O -","- C6 H8 Br N3 O -","- C24 H32 Br4 N12 O4 -","4","1","","de Melo, Cristiane C.; de Sousa Carvalho, Paulo; Diniz, Luan F.; D'Vries, Richard F.; Ayala, Alejandro P.; Ellena, Javier","Supramolecular synthesis and thermochemical investigations of pharmaceutical inorganic isoniazid salts","CrystEngComm","2016","18","34","6378","","10.1039/C6CE00969G","","x-ray","0.71073","MoKα","","0.086","0.0448","","","0.1056","0.125","","","","","","0.979","","","","has coordinates","186359","2020-10-21","18:00:00",""
"7225826","6.363","0.0013","15.97","0.006","8.043","0.002","90","","92.151","0.016","90","","816.7","0.4","290","2","290","2","","","","","","","synthesis as described","4","C 1 c 1","C -2yc","9","","","","- C6 H8 N4 O4 -","- C6 H8 N4 O4 -","- C24 H32 N16 O16 -","4","1","","de Melo, Cristiane C.; de Sousa Carvalho, Paulo; Diniz, Luan F.; D'Vries, Richard F.; Ayala, Alejandro P.; Ellena, Javier","Supramolecular synthesis and thermochemical investigations of pharmaceutical inorganic isoniazid salts","CrystEngComm","2016","18","34","6378","","10.1039/C6CE00969G","","x-ray","0.71073","MoKα","","0.0636","0.0495","","","0.1261","0.1374","","","","","","1.055","","","","has coordinates","186359","2020-10-21","18:00:00",""
"7225827","7.3259","0.0002","6.3982","0.0002","19.5779","0.0007","90","","98.246","0.001","90","","908.18","0.05","290","2","290","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C6 H9 N3 O5 S -","- C6 H9 N3 O5 S -","- C24 H36 N12 O20 S4 -","4","1","","de Melo, Cristiane C.; de Sousa Carvalho, Paulo; Diniz, Luan F.; D'Vries, Richard F.; Ayala, Alejandro P.; Ellena, Javier","Supramolecular synthesis and thermochemical investigations of pharmaceutical inorganic isoniazid salts","CrystEngComm","2016","18","34","6378","","10.1039/C6CE00969G","","x-ray","0.71073","MoKα","","0.0636","0.0463","","","0.1206","0.1291","","","","","","1.052","","","","has coordinates","186359","2020-10-21","18:00:00",""
"7225828","27.6565","0.0009","10.6992","0.0003","24.5174","0.0007","90","","94.143","0.003","90","","7235.8","0.4","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C72 H78 Al2 Dy2 N6 O18 -","- C72 H78 Al2 Dy2 N6 O18 -","- C288 H312 Al8 Dy8 N24 O72 -","4","0.5","","Peng, Yan; Mereacre, Valeriu; Anson, Christopher E.; Powell, Annie K.","Multiple superhyperfine fields in a {DyFe2Dy} coordination cluster revealed using bulk susceptibility and (57)Fe Mössbauer studies.","Physical chemistry chemical physics : PCCP","2016","18","31","21469","21480","10.1039/c6cp02942f","","","0.71073","MoKα","","0.031","0.0255","","","0.0551","0.0581","","","","","","1.064","","","","has coordinates","185670","2020-10-21","18:00:00",""
"7225829","28.4714","0.0005","10.5419","0.0002","24.4309","0.0005","90","","94.949","0.002","90","","7305.4","0.2","180","2","180","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C72 H78 Dy2 Fe2 N6 O18 -","- C72 H78 Dy2 Fe2 N6 O18 -","- C288 H312 Dy8 Fe8 N24 O72 -","4","0.5","","Peng, Yan; Mereacre, Valeriu; Anson, Christopher E.; Powell, Annie K.","Multiple superhyperfine fields in a {DyFe2Dy} coordination cluster revealed using bulk susceptibility and (57)Fe Mössbauer studies.","Physical chemistry chemical physics : PCCP","2016","18","31","21469","21480","10.1039/c6cp02942f","","","0.71073","MoKα","","0.0345","0.029","","","0.0583","0.0603","","","","","","1.123","","","","has coordinates","185670","2020-10-21","18:00:00",""
"7225830","11.5545","0.0005","19.8056","0.0009","9.1539","0.0004","90","","94.097","0.003","90","","2089.46","0.16","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C25 H17 N5 Ni O3 -","- C25 H17 N5 Ni O3 -","- C100 H68 N20 Ni4 O12 -","4","1","","Majee, Karunamay; Patel, Jully; Rai, Surabhi; Das, Babulal; Panda, Binata; Padhi, Sumanta Kumar","Proton reduction by a nickel complex with an internal quinoline moiety for proton relay.","Physical chemistry chemical physics : PCCP","2016","18","31","21640","21650","10.1039/c6cp03034c","","","0.71073","MoKα","","0.1267","0.0578","","","0.1413","0.1753","","","","","","0.933","","","","has coordinates","185671","2020-10-21","18:00:00",""
"7225831","8.724","0.0014","8.8303","0.0015","12.503","0.002","78.447","0.002","74.927","0.002","60.694","0.002","808","0.2","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","1,3-dimethylimidazolium hydrotris(pyrazolyl)borate","","- C14 H19 B N8 -","- C14 H19 B N8 -","- C28 H38 B2 N16 -","2","1","","Zhang, Yun; Lu, Dongmei; Zhang, Junjie; Wu, Chao","Synthesis and Characterization of Imidazolium Poly(azolyl)borate Ionic Liquids and Their Potential Application in SO2 Absorption","RSC Adv.","2016","","","","","10.1039/C6RA10356A","","","0.71073","MoKα","","0.0672","0.0621","","","0.1977","0.2037","","","","","","1.063","","","","has coordinates","184259","2020-10-21","18:00:00",""
"7225832","8.3398","0.0004","11.7932","0.0007","16.6442","0.0009","101.577","0.005","96.639","0.004","104.437","0.005","1529.21","0.15","298","2","298.15","","","","","","","","","5","P -1","-P 1","2","","SAN-15","","- C32 H34 N2 O9 S -","- C32 H34 N2 O9 S -","- C64 H68 N4 O18 S2 -","2","1","","Reddy, R. Santhosh; Zheng, Shaojun; lagishetti, chandraiah; You, Hengyao; He, Yun","A Practical and Efficient Route to Heteraphanes: Synthesis of Structurally Simplified Analogues of Ansamycins","RSC Adv.","2016","","","","","10.1039/C6RA16247A","","","0.71073","MoKα","","0.0957","0.0625","","","0.1645","0.1876","","","","","","1.036","","","","has coordinates","184260","2020-10-21","18:00:00",""
"7225833","9.0844","0.0008","11.8316","0.001","11.9311","0.001","117.753","0.002","97.176","0.002","101.322","0.002","1077.65","0.16","273","2","273","2","","","","","","","","5","P -1","-P 1","2","","Methyl (E)-5-(5-acetyl-4-methyl-3-phenylthiazol-2(3H)-ylidene)-4-oxo-2-(phenylamino)-4,5-dihydrothiophene-3-carboxylate","","- C24 H20 N2 O4 S2 -","- C24 H20 N2 O4 S2 -","- C48 H40 N4 O8 S4 -","2","1","","Mabkhot, Yahia N.; Kheder, Nabila Abdelshafy; Barakat, Assem; Choudhary, Muhammad I.; Yousuf, Sammer; Frey, Wolfgang","Synthesis, antimicrobial, anti-cancer and molecular docking of two novel hitherto unreported thiophenes","RSC Adv.","2016","6","68","63724","","10.1039/C6RA09883E","","","0.71073","MoKα","","0.0655","0.0457","","","0.1034","0.115","","","","","","1.021","","","","has coordinates","184261","2020-10-21","18:00:00",""
"7225834","7.1651","0.0006","16.446","0.0011","19.784","0.0014","90","","100.202","0.004","90","","2294.4","0.3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(E)-5-(5-acetyl-4-methyl-3-phenylthiazol-2(3H)-ylidene)-4-oxo-2-(phenylamino)-4,5-dihydrothiophene-3-carboxylate","","- C25 H22 N2 O4 S2 -","- C25 H22 N2 O4 S2 -","- C100 H88 N8 O16 S8 -","4","1","","Mabkhot, Yahia N.; Kheder, Nabila Abdelshafy; Barakat, Assem; Choudhary, Muhammad I.; Yousuf, Sammer; Frey, Wolfgang","Synthesis, antimicrobial, anti-cancer and molecular docking of two novel hitherto unreported thiophenes","RSC Adv.","2016","6","68","63724","","10.1039/C6RA09883E","","","0.71073","MoKα","","0.0965","0.0856","","","0.2145","0.2191","","","","","","1.06","","","","has coordinates,has disorder","184261","2020-10-21","18:00:00",""
"7225835","12.4586","0.0009","14.8169","0.001","15.6249","0.0011","110.37","0.001","99.772","0.001","112.044","0.001","2351.8","0.3","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","4-(3,6-di-tert-butylcarbazol-9-yl)-N,N-bis(4-{[1,2,5]thiadiazolo[3,4-b]pyridin-6-yl}phenyl)aniline","","- C48 H40 N8 S2 -","- C48 H40 N8 S2 -","- C96 H80 N16 S4 -","2","1","","Mahalingavelar, Paramasivam; Gupta, Akhil; Nanubolu, Jagadeesh Babu; Kotamarthi, Bhanuprakash; Bhosale, Sheshanath; Vaidya, Jayathirtha Rao","Funnel shaped molecules containing benzo/pyrido[1,2,5] thiadiazole functionalities as peripheral acceptors for organic photovoltaic applications","RSC Adv.","2016","","","","","10.1039/C6RA06616J","","","0.71073","MoKα","","0.0913","0.0712","","","0.1928","0.2064","","","","","","0.998","","","","has coordinates","184262","2020-10-21","18:00:00",""
"7225836","10.1218","0.0014","11.3596","0.0016","12.4854","0.0018","101.15","0.002","109.815","0.002","92.281","0.002","1316.4","0.3","296","2","296","2","","","","","","","","3","P -1","-P 1","2","","","","- C34 H26 O5 -","- C34 H26 O5 -","- C68 H52 O10 -","2","1","","Meng, Xiang-Suo; Jiang, Shan; Xu, Xiaoyun; Wu, Qiangxian; Gu, Yucheng; SHI, De-Qing","DABCO Catalyzed Unusual Formal [4+2] Cycloaddition of 3-acyl (or alkoxycarbonyl)-1,4-enediones with 2,3-butadienoates: An Effective Access to Construct Highly Functionalized Pyrans","RSC Adv.","2016","","","","","10.1039/C6RA15117E","","","0.71073","MoKα","","0.0765","0.0502","","","0.1532","0.1789","","","","","","1.011","","","","has coordinates","184263","2020-10-21","18:00:00",""
"7225837","8.0806","0.0007","16.0141","0.0013","3.5431","0.0003","90","","101.206","0.001","90","","449.75","0.07","296","2","296","2","","","","","","","","5","C 1 m 1","C -2y","8","La0.096Y0.904Ca4O(BO3)3","La0.096Y0.904COB","","- B6 Ca8 La0.18 O20 Y1.81 -","- B6 Ca7.998 La0.176 O20 Y1.812 -","- B6 Ca7.998 La0.176 O20 Y1.812 -","1","0.25","","Qi, Hongwei; Wang, Fang; Chai, Xiangxu; Wang, Zhengping; Yu, Fapeng; Liu, Yanqing; Zhao, Xian; Xu, Xinguang","Growth and non-critical phase-matching frequency conversion properties of LaxY1−xCOB crystals","CrystEngComm","2016","18","33","6205","","10.1039/C6CE00952B","","","0.71073","MoKα","","0.0174","0.0172","","","0.041","0.0411","","","","","","0.767","","","","has coordinates","186364","2020-10-21","18:00:00",""
"7225838","8.1214","0.001","16.1024","0.0019","3.5623","0.0004","90","","101.211","0.001","90","","456.97","0.09","296","2","296","2","","","","","","","","5","C 1 m 1","C -2y","8","La0.140Y0.860Ca4O(BO3)3","La0.140Y0.860COB","","- B3 Ca4.03 La0.11 O10 Y0.86 -","- B3 Ca4.029 La0.11 O10 Y0.861 -","- B6 Ca8.058 La0.22 O20 Y1.722 -","2","0.5","","Qi, Hongwei; Wang, Fang; Chai, Xiangxu; Wang, Zhengping; Yu, Fapeng; Liu, Yanqing; Zhao, Xian; Xu, Xinguang","Growth and non-critical phase-matching frequency conversion properties of LaxY1−xCOB crystals","CrystEngComm","2016","18","33","6205","","10.1039/C6CE00952B","","","0.71073","MoKα","","0.0162","0.0158","","","0.0378","0.038","","","","","","0.757","","","","has coordinates","186364","2020-10-21","18:00:00",""
"7225839","3.8981","0.0003","13.3018","0.001","15.2307","0.0011","93.626","0.003","96.888","0.003","93.357","0.004","780.72","0.1","100","2","100","","","","","","","","","5","P -1","-P 1","2","","","","- C17 H8 Br2 F4 O2 -","- C17 H8 Br2 F4 O2 -","- C34 H16 Br4 F8 O4 -","2","1","","Zhu, Bingqing; Wang, Jian-Rong; Zhang, Qi; Mei, Xuefeng","Greener solid-state synthesis: stereo-selective [2 + 2] photodimerization of vitamin K3controlled by halogen bonding","CrystEngComm","2016","18","34","6327","","10.1039/C6CE01236A","","","0.71073","MoKα","","0.025","0.0209","","","0.0511","0.0529","","","","","","1.031","","","","has coordinates","186353","2020-10-21","18:00:00",""
"7225840","17.0631","0.0012","4.1837","0.0003","24.5252","0.0019","90","","100.088","0.005","90","","1723.7","0.2","100","2","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C17 H8 F4 I2 O2 -","- C17 H8 F4 I2 O2 -","- C68 H32 F16 I8 O8 -","4","1","","Zhu, Bingqing; Wang, Jian-Rong; Zhang, Qi; Mei, Xuefeng","Greener solid-state synthesis: stereo-selective [2 + 2] photodimerization of vitamin K3controlled by halogen bonding","CrystEngComm","2016","18","34","6327","","10.1039/C6CE01236A","","","0.71073","MoKα","","0.0537","0.0355","","","0.0725","0.0795","","","","","","1.02","","","","has coordinates","186353","2020-10-21","18:00:00",""
"7225841","6.44","0.0004","16.3764","0.001","12.5711","0.001","90","","93.626","0.002","90","","1323.14","0.16","150","0.5","150","0.5","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C31 H34 N2 O4 S -","- C31 H34 N2 O4 S -","- C62 H68 N4 O8 S2 -","2","1","","Lee, Kang-Hyun; Lee, Seung-Heon; Yun, Hoseop; Jazbinsek, Mojca; Kim, Jun Wan; Rotermund, Fabian; Kwon, O-Pil","Multi-functional supramolecular building blocks with hydroxy piperidino groups: new opportunities for developing nonlinear optical ionic crystals","CrystEngComm","2016","18","31","5832","","10.1039/C6CE00401F","","","0.71073","MoKα","","0.129","0.0581","","","0.1253","0.16","","","","","","1.122","","","","has coordinates","185257","2020-10-21","18:00:00",""
"7225842","8.435","0.006","11.431","0.008","17.048","0.012","105.141","0.014","92.907","0.018","104.043","0.016","1527.8","1.9","293","2","293","2","","","","","","","","3","P -1","-P 1","2","ortho-ethoxy-trans-cinnamic acid and 2,2'-diethoxy alpha-truxillic acid","(E)-3-(2-Ethoxyphenyl)propenoic acid and trans-2,4-bis(2-ethoxyphenyl)-trans-1,3-cyclobutane-dicarboxylic acid","","- C33 H36 O9 -","- C33 H36 O9 -","- C66 H72 O18 -","2","1","","Fernandes, M. A.; Levendis, D. C.","Photodimerisation of the α′-polymorph of ortho-ethoxy-trans-cinnamic acid occurs via a two-stage mechanism at 343 K yielding 100% α-truxillic acid","CrystEngComm","2016","18","38","7363","","10.1039/C6CE00809G","","","0.71073","MoKα","","0.367","0.1381","","","0.301","0.4215","","","","","","0.912","","","","has coordinates,has disorder","187035","2020-10-21","18:00:00",""
"7225843","8.6164","0.001","10.8765","0.0014","17.292","0.002","93.157","0.002","92.001","0.002","112.657","0.003","1490.4","0.3","173","2","173","2","","","","","","","","3","P -1","-P 1","2","(E)-3-(2-Ethoxyphenyl)propenoic acid andtrans-2,4-bis(2-ethoxyphenyl)-trans-1,3-cyclobutane-dicarboxylic acid","(E)-3-(2-Ethoxyphenyl)propenoic acid andtrans-2,4-bis(2-ethoxyphenyl)-trans-1,3-cyclobutane-dicarboxylic acid","","- C33 H36 O9 -","- C33 H36 O9 -","- C66 H72 O18 -","2","1","","Fernandes, M. A.; Levendis, D. C.","Photodimerisation of the α′-polymorph of ortho-ethoxy-trans-cinnamic acid occurs via a two-stage mechanism at 343 K yielding 100% α-truxillic acid","CrystEngComm","2016","18","38","7363","","10.1039/C6CE00809G","","","0.71069","MoKα","","0.1136","0.0516","","","0.1169","0.1416","","","","","","1.002","","","","has coordinates,has disorder","187035","2020-10-21","18:00:00",""
"7225844","8.5451","0.0015","10.8805","0.0019","17.346","0.003","94.925","0.003","91.831","0.003","111.868","0.003","1487.6","0.5","173","2","173","2","","","","","","","","3","P -1","-P 1","2","ortho-ethoxy-trans-cinnamic acid and 2,2'-diethoxy alpha-truxillic acid","(E)-3-(2-Ethoxyphenyl)propenoic acid and trans-2,4-bis(2-ethoxyphenyl)-trans-1,3-cyclobutane-dicarboxylic acid","","- C33 H36 O9 -","- C33 H36 O9 -","- C66 H72 O18 -","2","1","","Fernandes, M. A.; Levendis, D. C.","Photodimerisation of the α′-polymorph of ortho-ethoxy-trans-cinnamic acid occurs via a two-stage mechanism at 343 K yielding 100% α-truxillic acid","CrystEngComm","2016","18","38","7363","","10.1039/C6CE00809G","","","0.71073","MoKα","","0.0891","0.0566","","","0.1358","0.1535","","","","","","1.057","","","","has coordinates,has disorder","187035","2020-10-21","18:00:00",""
"7225845","8.482","0.0016","10.894","0.002","17.36","0.003","96.558","0.003","91.831","0.004","111.203","0.004","1481.1","0.5","173","2","173","2","","","","","","","","3","P -1","-P 1","2","ortho-ethoxy-trans-cinnamic acid and 2,2'-diethoxy alpha-truxillic acid","(E)-3-(2-Ethoxyphenyl)propenoic acid and trans-2,4-bis(2-ethoxyphenyl)-trans-1,3-cyclobutane-dicarboxylic acid","","- C33 H36 O9 -","- C33 H36 O9 -","- C66 H72 O18 -","2","1","","Fernandes, M. A.; Levendis, D. C.","Photodimerisation of the α′-polymorph of ortho-ethoxy-trans-cinnamic acid occurs via a two-stage mechanism at 343 K yielding 100% α-truxillic acid","CrystEngComm","2016","18","38","7363","","10.1039/C6CE00809G","","","0.71069","MoKα","","0.1159","0.0559","","","0.1352","0.1618","","","","","","1.004","","","","has coordinates,has disorder","187035","2020-10-21","18:00:00",""
"7225846","8.44","0.002","10.918","0.003","17.372","0.004","98.412","0.004","92.041","0.004","109.825","0.005","1483.5","0.6","173","2","173","2","","","","","","","","3","P -1","-P 1","2","ortho-ethoxy-trans-cinnamic acid and 2,2'-diethoxy alpha-truxillic acid","(E)-3-(2-Ethoxyphenyl)propenoic acid and trans-2,4-bis(2-ethoxyphenyl)-trans-1,3-cyclobutane-dicarboxylic acid","","- C33 H36 O9 -","- C32.9978 H35.9976 O8.9994 -","- C65.9956 H71.9952 O17.9988 -","2","1","","Fernandes, M. A.; Levendis, D. C.","Photodimerisation of the α′-polymorph of ortho-ethoxy-trans-cinnamic acid occurs via a two-stage mechanism at 343 K yielding 100% α-truxillic acid","CrystEngComm","2016","18","38","7363","","10.1039/C6CE00809G","","","0.71073","MoKα","","0.1499","0.0707","","","0.1695","0.202","","","","","","1.038","","","","has coordinates,has disorder","187035","2020-10-21","18:00:00",""
"7225847","8.37","0.003","10.992","0.004","17.276","0.006","101.552","0.005","92.358","0.006","107.262","0.006","1478.5","0.9","173","2","173","2","","","","","","","","3","P -1","-P 1","2","ortho-ethoxy-trans-cinnamic acid and 2,2'-diethoxy alpha-truxillic acid","(E)-3-(2-Ethoxyphenyl)propenoic acid andtrans-2,4-bis(2-ethoxyphenyl)-trans-1,3-cyclobutane-dicarboxylic acid","","- C33 H36 O9 -","- C33 H36 O9 -","- C66 H72 O18 -","2","1","","Fernandes, M. A.; Levendis, D. C.","Photodimerisation of the α′-polymorph of ortho-ethoxy-trans-cinnamic acid occurs via a two-stage mechanism at 343 K yielding 100% α-truxillic acid","CrystEngComm","2016","18","38","7363","","10.1039/C6CE00809G","","","0.71069","MoKα","","0.1645","0.0757","","","0.1912","0.2287","","","","","","1.027","","","","has coordinates,has disorder","187035","2020-10-21","18:00:00",""
"7225848","8.3738","0.0014","11.2351","0.0019","17.064","0.003","106.059","0.003","92.617","0.004","104.502","0.003","1482.1","0.4","173","2","173","2","","","","","","","","3","P -1","-P 1","2","ortho-ethoxy-trans-cinnamic acid and 2,2'-diethoxy alpha-truxillic acid","(E)-3-(2-Ethoxyphenyl)propenoic acid and trans-2,4-bis(2-ethoxyphenyl)-trans-1,3-cyclobutane-dicarboxylic acid","","- C33 H36 O9 -","- C33 H36 O9 -","- C66 H72 O18 -","2","1","","Fernandes, M. A.; Levendis, D. C.","Photodimerisation of the α′-polymorph of ortho-ethoxy-trans-cinnamic acid occurs via a two-stage mechanism at 343 K yielding 100% α-truxillic acid","CrystEngComm","2016","18","38","7363","","10.1039/C6CE00809G","","","0.71073","MoKα","","0.1333","0.0591","","","0.1459","0.1771","","","","","","0.982","","","","has coordinates,has disorder","187035","2020-10-21","18:00:00",""
"7225849","8.6452","0.0013","10.8577","0.0017","17.262","0.003","92.47","0.003","92.102","0.003","112.563","0.003","1492.4","0.4","173","2","173","2","","","","","","","","3","P -1","-P 1","2","ortho-ethoxy-trans-cinnamic acid and 2,2'-diethoxy alpha-truxillic acid","(E)-3-(2-Ethoxyphenyl)propenoic acid and trans-2,4-bis(2-ethoxyphenyl)-trans-1,3-cyclobutane-dicarboxylic acid","","- C33 H36 O9 -","- C33 H36 O9 -","- C66 H72 O18 -","2","1","","Fernandes, M. A.; Levendis, D. C.","Photodimerisation of the α′-polymorph of ortho-ethoxy-trans-cinnamic acid occurs via a two-stage mechanism at 343 K yielding 100% α-truxillic acid","CrystEngComm","2016","18","38","7363","","10.1039/C6CE00809G","","","0.71069","MoKα","","0.1075","0.0516","","","0.1169","0.1371","","","","","","1.024","","","","has coordinates,has disorder","187035","2020-10-21","18:00:00",""
"7225850","8.3766","0.0014","11.2383","0.0018","17.082","0.003","106.072","0.004","92.601","0.003","104.599","0.003","1483.8","0.4","173","2","173","2","","","","","","","","3","P -1","-P 1","2","ortho-ethoxy-trans-cinnamic acid and 2,2'-diethoxy alpha-truxillic acid","(E)-3-(2-Ethoxyphenyl)propenoic acid and trans-2,4-bis(2-ethoxyphenyl)-trans-1,3-cyclobutane-dicarboxylic acid","","- C33 H36 O9 -","- C33 H36 O9 -","- C66 H72 O18 -","2","1","","Fernandes, M. A.; Levendis, D. C.","Photodimerisation of the α′-polymorph of ortho-ethoxy-trans-cinnamic acid occurs via a two-stage mechanism at 343 K yielding 100% α-truxillic acid","CrystEngComm","2016","18","38","7363","","10.1039/C6CE00809G","","","0.71069","MoKα","","0.1336","0.0559","","","0.1231","0.1551","","","","","","0.99","","","","has coordinates,has disorder","187035","2020-10-21","18:00:00",""
"7225851","7.5613","0.0002","18.8087","0.0003","11.8932","0.0002","90","","104.691","0.002","90","","1636.13","0.06","150","2","150","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C12 H19 Cl N2 O2 Sn2 -","- C12 H19 Cl N2 O2 Sn2 -","- C48 H76 Cl4 N8 O8 Sn8 -","4","1","","Arjmand, F.; Sharma, S.; Usman, M.; Leu, B. M.; Hu, M. Y.; Toupet, L.; Gosztola, D.; Tabassum, S.","Vibrational dynamics (IR, Raman, NRVS) and a DFT study of a new antitumor tetranuclearstannoxane cluster, Sn(iv)-oxo-{di-o-vanillin} dimethyl dichloride.","Physical chemistry chemical physics : PCCP","2016","18","27","17805","17809","10.1039/c6cp02914k","","x-ray","1.54184","CuKα","","0.0622","0.0604","","","0.1584","0.1624","","","","","","1.097","","","","has coordinates","185668","2020-10-21","18:00:00",""
"7225852","6.0011","0.0003","18.2772","0.001","11.7435","0.0007","90","","99.398","0.002","90","","1270.78","0.12","295","2","295","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C10 H18 N4 O4 -","- C10 H18 N4 O4 -","- C40 H72 N16 O16 -","4","1","","RUBALINGAM, PADMAVATHY; N, Karthikeyan; Duraisamy, Sathya; R, Jagan; R., Mohan Kumar; Kandasamy, Sivakumar","Anion assisted supramolecular self-assemblies of succinate and malate adducts: Crystal structure and Theoretical modelling","RSC Adv.","2016","","","","","10.1039/C6RA15683E","","","0.71073","MoKα","","0.0672","0.0554","","","0.1447","0.1568","","","","","","1.068","","","","has coordinates,has disorder","184278","2020-10-21","18:00:00",""
"7225853","9.3856","0.0004","11.0691","0.0006","21.5537","0.001","90","","92.617","0.003","90","","2236.88","0.19","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H30 N2 O8 -","- C22 H30 N2 O8 -","- C88 H120 N8 O32 -","4","1","","RUBALINGAM, PADMAVATHY; N, Karthikeyan; Duraisamy, Sathya; R, Jagan; R., Mohan Kumar; Kandasamy, Sivakumar","Anion assisted supramolecular self-assemblies of succinate and malate adducts: Crystal structure and Theoretical modelling","RSC Adv.","2016","","","","","10.1039/C6RA15683E","","","0.71073","MoKα","","0.0625","0.0499","","","0.1401","0.1485","","","","","","1.094","","","","has coordinates","184278","2020-10-21","18:00:00",""
"7225854","14.32","0.002","9.6613","0.0013","17.751","0.003","90","","96.215","0.005","90","","2441.4","0.6","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C11 H15 N O5 -","- C11 H15 N O5 -","- C88 H120 N8 O40 -","8","2","","RUBALINGAM, PADMAVATHY; N, Karthikeyan; Duraisamy, Sathya; R, Jagan; R., Mohan Kumar; Kandasamy, Sivakumar","Anion assisted supramolecular self-assemblies of succinate and malate adducts: Crystal structure and Theoretical modelling","RSC Adv.","2016","","","","","10.1039/C6RA15683E","","","0.71073","MoKα","","0.0965","0.0462","","","0.1069","0.1548","","","","","","0.906","","","","has coordinates","192220","2020-10-21","18:00:00",""
"7225855","5.9736","0.0003","7.5564","0.0004","16.1174","0.0007","81.6","0.002","81.012","0.002","70.739","0.001","674.87","0.06","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C12 H17 N O6 -","- C12 H17 N O6 -","- C24 H34 N2 O12 -","2","1","","RUBALINGAM, PADMAVATHY; N, Karthikeyan; Duraisamy, Sathya; R, Jagan; R., Mohan Kumar; Kandasamy, Sivakumar","Anion assisted supramolecular self-assemblies of succinate and malate adducts: Crystal structure and Theoretical modelling","RSC Adv.","2016","","","","","10.1039/C6RA15683E","","","0.71073","MoKα","","0.045","0.0351","","","0.0911","0.0964","","","","","","1.07","","","","has coordinates,has disorder","184278","2020-10-21","18:00:00",""
"7225856","30.854","0.005","7.3079","0.0013","9.1538","0.0016","90","","103.466","0.003","90","","2007.2","0.6","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C14 H36 N6 O7 -","- C14 H36 N6 O7 -","- C56 H144 N24 O28 -","4","0.5","","Fonari, Marina S.; Antal, Sofia; Castañeda, Raúl; Ordonez, Carlos; Timofeeva, Tatiana V.","Crystalline products of CO2capture by piperazine aqueous solutions","CrystEngComm","2016","18","33","6282","","10.1039/C6CE01083K","","","0.71073","MoKα","","0.0339","0.0312","","","0.0822","0.0839","","","","","","1.055","","","","has coordinates","186367","2020-10-21","18:00:00",""
"7225857","9.856","0.003","6.681","0.002","9.172","0.003","90","","108.778","0.004","90","","571.8","0.3","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","piperazine monohydrate","","","- C4 H12 N2 O -","- C4 H12 N2 O -","- C16 H48 N8 O4 -","4","1","","Fonari, Marina S.; Antal, Sofia; Castañeda, Raúl; Ordonez, Carlos; Timofeeva, Tatiana V.","Crystalline products of CO2capture by piperazine aqueous solutions","CrystEngComm","2016","18","33","6282","","10.1039/C6CE01083K","","","0.71073","MoKα","","0.0363","0.0337","","","0.091","0.0936","","","","","","1.041","","","","has coordinates","186367","2020-10-21","18:00:00",""
"7225858","8.163","0.002","18.627","0.005","5.9869","0.0017","90","","110.214","0.004","90","","854.3","0.4","100","2","100","2","","","","","","","","4","C 1 c 1","C -2yc","9","piperazinium carbaxamide trihydrate","","","- C5 H16 N2 O5 -","- C5 H16 N2 O5 -","- C20 H64 N8 O20 -","4","1","","Fonari, Marina S.; Antal, Sofia; Castañeda, Raúl; Ordonez, Carlos; Timofeeva, Tatiana V.","Crystalline products of CO2capture by piperazine aqueous solutions","CrystEngComm","2016","18","33","6282","","10.1039/C6CE01083K","","","0.71073","MoKα","","0.0277","0.0259","","","0.0624","0.0636","","","","","","1.019","","","","has coordinates","186367","2020-10-21","18:00:00",""
"7225859","6.194","0.003","9.572","0.005","18.884","0.01","90","","90","","90","","1119.6","1","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C9 H20 N4 O2 -","- C9 H20 N4 O2 -","- C36 H80 N16 O8 -","4","1","","Fonari, Marina S.; Antal, Sofia; Castañeda, Raúl; Ordonez, Carlos; Timofeeva, Tatiana V.","Crystalline products of CO2capture by piperazine aqueous solutions","CrystEngComm","2016","18","33","6282","","10.1039/C6CE01083K","","","0.71073","MoKα","","0.0592","0.0435","","","0.0945","0.1016","","","","","","1.051","","","","has coordinates","186367","2020-10-21","18:00:00",""
"7225860","10.5503","0.0006","8.933","0.0005","20.1876","0.001","90","","90.672","0.002","90","","1902.47","0.18","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C19 H13 N2 O8 S Tb -","- C19 H13 N2 O8 S Tb -","- C76 H52 N8 O32 S4 Tb4 -","4","1","","Li, Rui; Qu, Xiang-Long; Zhang, Yi-Hua; Han, Hong-Liang; Li, Xia","Lanthanide‒organic frameworks constructed from naphthalenedisulfonates: structure, luminescence and luminescence sensing properties","CrystEngComm","2016","18","31","5890","","10.1039/C6CE01028H","","","0.71073","MoKα","","0.0467","0.0349","","","0.0785","0.0848","","","","","","1.04","","","","has coordinates","185256","2020-10-21","18:00:00",""
"7225861","8.8357","0.0008","10.6784","0.0009","10.9831","0.0009","80.877","0.002","69.329","0.002","88.555","0.002","956.76","0.14","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C19 H15 N2 O9 S Sm -","- C19 H15 N2 O9 S Sm -","- C38 H30 N4 O18 S2 Sm2 -","2","1","","Li, Rui; Qu, Xiang-Long; Zhang, Yi-Hua; Han, Hong-Liang; Li, Xia","Lanthanide‒organic frameworks constructed from naphthalenedisulfonates: structure, luminescence and luminescence sensing properties","CrystEngComm","2016","18","31","5890","","10.1039/C6CE01028H","","","0.71073","MoKα","","0.0313","0.0306","","","0.0795","0.08","","","","","","1.028","","","","has coordinates","185256","2020-10-21","18:00:00",""
"7225862","8.8196","0.0012","10.6527","0.0014","10.9383","0.0015","80.996","0.002","69.223","0.002","88.54","0.002","948.5","0.2","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C19 H15 Eu N2 O9 S -","- C19 H15 Eu N2 O9 S -","- C38 H30 Eu2 N4 O18 S2 -","2","1","","Li, Rui; Qu, Xiang-Long; Zhang, Yi-Hua; Han, Hong-Liang; Li, Xia","Lanthanide‒organic frameworks constructed from naphthalenedisulfonates: structure, luminescence and luminescence sensing properties","CrystEngComm","2016","18","31","5890","","10.1039/C6CE01028H","","","0.71073","MoKα","","0.0491","0.0405","","","0.0919","0.1109","","","","","","1.071","","","","has coordinates","185256","2020-10-21","18:00:00",""
"7225863","8.8819","0.0006","10.7645","0.0007","11.2236","0.0007","80.093","0.001","69.851","0.001","88.74","0.001","991.58","0.11","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C19 H15 La N2 O9 S -","- C19 H15 La N2 O9 S -","- C38 H30 La2 N4 O18 S2 -","2","1","","Li, Rui; Qu, Xiang-Long; Zhang, Yi-Hua; Han, Hong-Liang; Li, Xia","Lanthanide‒organic frameworks constructed from naphthalenedisulfonates: structure, luminescence and luminescence sensing properties","CrystEngComm","2016","18","31","5890","","10.1039/C6CE01028H","","","0.71073","MoKα","","0.0339","0.0297","","","0.0732","0.0763","","","","","","0.896","","","","has coordinates","185256","2020-10-21","18:00:00",""
"7225864","11.2382","0.0012","11.7405","0.0011","14.0474","0.0013","108.24","0.002","91.419","0.002","113.675","0.002","1587.9","0.3","294","2","294","2","","","","","","","","6","P -1","-P 1","2","","","","- C35 H24 La N4 O9 S2 -","- C35 H24 La N4 O9 S2 -","- C70 H48 La2 N8 O18 S4 -","2","1","","Li, Rui; Qu, Xiang-Long; Zhang, Yi-Hua; Han, Hong-Liang; Li, Xia","Lanthanide‒organic frameworks constructed from naphthalenedisulfonates: structure, luminescence and luminescence sensing properties","CrystEngComm","2016","18","31","5890","","10.1039/C6CE01028H","","","0.71073","MoKα","","0.0507","0.0411","","","0.0782","0.0833","","","","","","0.976","","","","has coordinates","185256","2020-10-21","18:00:00",""
"7225865","10.5998","0.0011","8.953","0.0009","20.265","0.002","90","","90.979","0.002","90","","1922.9","0.3","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C19 H11 Eu N2 O8 S -","- C19 H11 Eu N2 O8 S -","- C76 H44 Eu4 N8 O32 S4 -","4","1","","Li, Rui; Qu, Xiang-Long; Zhang, Yi-Hua; Han, Hong-Liang; Li, Xia","Lanthanide‒organic frameworks constructed from naphthalenedisulfonates: structure, luminescence and luminescence sensing properties","CrystEngComm","2016","18","31","5890","","10.1039/C6CE01028H","","","0.71073","MoKα","","0.095","0.0462","","","0.085","0.1026","","","","","","0.978","","","","has coordinates","185256","2020-10-21","18:00:00",""
"7225866","10.57","0.001","8.94","0.0009","20.224","0.002","90","","90.868","0.002","90","","1910.9","0.3","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C19 H13 Gd N2 O8 S -","- C19 H13 Gd N2 O8 S -","- C76 H52 Gd4 N8 O32 S4 -","4","1","","Li, Rui; Qu, Xiang-Long; Zhang, Yi-Hua; Han, Hong-Liang; Li, Xia","Lanthanide‒organic frameworks constructed from naphthalenedisulfonates: structure, luminescence and luminescence sensing properties","CrystEngComm","2016","18","31","5890","","10.1039/C6CE01028H","","","0.71073","MoKα","","0.0778","0.0381","","","0.0713","0.0839","","","","","","0.999","","","","has coordinates","185256","2020-10-21","18:00:00",""
"7225867","4.8185","0.0004","10.7128","0.0009","10.5491","0.0009","90","","97.394","0.002","90","","540.01","0.08","293","2","293","2","","","","","","","","5","P 1 c 1","P -2yc","7","","","","- C12 H6 N4 O2 Zn -","- C12 H6 N4 O2 Zn -","- C24 H12 N8 O4 Zn2 -","2","1","","Chen, Xi; Zhang, Biquan; Yu, Fan; Su, Min; Qin, Wenming; Li, Bao; Zhuang, Gui-lin; Zhang, Tianle","Synthesis, crystal structure and luminescence studies of zinc(ii) and cadmium(ii) complexes with 6-(1H-tetrazol-5-yl)-2-naphthoic acid","CrystEngComm","2016","18","34","6396","","10.1039/C6CE01273F","","","0.71073","MoKα","","0.0181","0.0175","","","0.0419","0.0422","","","","","","1.019","","","","has coordinates","186360","2020-10-21","18:00:00",""
"7225868","10.2092","0.0019","8.5034","0.0017","13.885","0.003","90","","98.655","0.005","90","","1191.7","0.4","293","2","293","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C12 H6 Cd N4 O3 -","- C12 H6 Cd N4 O3 -","- C48 H24 Cd4 N16 O12 -","4","1","","Chen, Xi; Zhang, Biquan; Yu, Fan; Su, Min; Qin, Wenming; Li, Bao; Zhuang, Gui-lin; Zhang, Tianle","Synthesis, crystal structure and luminescence studies of zinc(ii) and cadmium(ii) complexes with 6-(1H-tetrazol-5-yl)-2-naphthoic acid","CrystEngComm","2016","18","34","6396","","10.1039/C6CE01273F","","","0.71073","MoKα","","0.0262","0.0204","","","0.0526","0.0561","","","","","","1.013","","","","has coordinates","186360","2020-10-21","18:00:00",""
"7225869","17.8204","0.0016","9.9753","0.0009","15.6487","0.0014","90","","90","","90","","2781.8","0.4","100","2","100","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C8 H19 Mg N O10 -","- C8 H19 Mg N O10 -","- C64 H152 Mg8 N8 O80 -","8","2","","Eisenberg, David; Stroek, Wowa; Geels, Norbert J.; Tanase, Stefania; Ferbinteanu, Marilena; Teat, Simon J.; Mettraux, Pierre; Yan, Ning; Rothenberg, Gadi","A rational synthesis of hierarchically porous, N-doped carbon from Mg-based MOFs: understanding the link between nitrogen content and oxygen reduction electrocatalysis.","Physical chemistry chemical physics : PCCP","2016","18","30","20778","20783","10.1039/c6cp04132a","","","0.7749","synchrotron","","0.0526","0.0415","","","0.0929","0.0975","","","","","","1.03","","","","has coordinates,has disorder","185664","2020-10-21","18:00:00",""
"7225870","7.1443","0.0001","10.058","0.0002","16.3322","0.0011","90","","90.905","0.006","90","","1173.44","0.08","293","","293","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C6 H12 K Mg N O9 -","- C6 H12 K Mg N O9 -","- C24 H48 K4 Mg4 N4 O36 -","4","1","","Eisenberg, David; Stroek, Wowa; Geels, Norbert J.; Tanase, Stefania; Ferbinteanu, Marilena; Teat, Simon J.; Mettraux, Pierre; Yan, Ning; Rothenberg, Gadi","A rational synthesis of hierarchically porous, N-doped carbon from Mg-based MOFs: understanding the link between nitrogen content and oxygen reduction electrocatalysis.","Physical chemistry chemical physics : PCCP","2016","18","30","20778","20783","10.1039/c6cp04132a","","","0.71075","MoKα","","0.0424","0.0305","","","0.0682","0.0889","","","","","","1.182","","","","has coordinates","185664","2020-10-21","18:00:00",""
"7225871","9.1242","0.0001","13.8132","0.0002","9.0359","0.0001","90","","90","","90","","1138.83","0.02","100","","100","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","DimimFeCl4 (dimim=1,3-dimethylimidazolium)","","","- C5 H9 Cl4 Fe N2 -","- C5 H9 Cl4 Fe N2 -","- C20 H36 Cl16 Fe4 N8 -","4","1","","de Pedro, Imanol; Fabelo, Oscar; Garcia Saiz, Abel; Vallcorba, Oriol; Junquera, Javier; Blanco, Jesus A.; Waerenborgh, João C.; Andreica, Daniel; Wildes, Andrew; Fernandez-Diaz, Maria Teresa; Rogriguez, Jesus","Dynamically Slow Solid-to-Solid Phase Transition Induced by Thermal Treatment on DimimFeCl4 Magnetic Ionic Liquid","Phys. Chem. Chem. Phys.","2016","","","","","10.1039/C6CP02433E","powder diffraction","","0.61969","Synchrotron","","","","","","","","","0.223","6.094","","","","","","","has coordinates","184342","2020-10-21","18:00:00",""
"7225872","14.1391","0.0003","13.7039","0.0003","13.2935","0.0003","90","","115.539","0.002","90","","2324.09","0.1","220","","220","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","DimimFeCl4 (dimim=1,3-dimethylimidazolium)","","","- C5 H9 Cl4 Fe N2 -","- C5 H9 Cl4 Fe N2 -","- C40 H72 Cl32 Fe8 N16 -","8","2","","de Pedro, Imanol; Fabelo, Oscar; Garcia Saiz, Abel; Vallcorba, Oriol; Junquera, Javier; Blanco, Jesus A.; Waerenborgh, João C.; Andreica, Daniel; Wildes, Andrew; Fernandez-Diaz, Maria Teresa; Rogriguez, Jesus","Dynamically Slow Solid-to-Solid Phase Transition Induced by Thermal Treatment on DimimFeCl4 Magnetic Ionic Liquid","Phys. Chem. Chem. Phys.","2016","","","","","10.1039/C6CP02433E","powder diffraction","","0.61969","Synchrotron","","","","","","","","","0.025","8.593","","","","","","","has coordinates","184343","2020-10-21","18:00:00",""
"7225873","6.5434","0.0002","14.0286","0.0002","6.5314","0.0002","90","","89.921","0.001","90","","599.55","0.03","300","","300","","","","","","","","","5","P 1 21 1","P 2yb","4","DimimFeCl4 (dimim=1,3-dimethylimidazolium)","","","- C5 H9 Cl4 Fe N2 -","- C5 H9 Cl4 Fe N2 -","- C10 H18 Cl8 Fe2 N4 -","2","1","","de Pedro, Imanol; Fabelo, Oscar; Garcia Saiz, Abel; Vallcorba, Oriol; Junquera, Javier; Blanco, Jesus A.; Waerenborgh, João C.; Andreica, Daniel; Wildes, Andrew; Fernandez-Diaz, Maria Teresa; Rogriguez, Jesus","Dynamically Slow Solid-to-Solid Phase Transition Induced by Thermal Treatment on DimimFeCl4 Magnetic Ionic Liquid","Phys. Chem. Chem. Phys.","2016","","","","","10.1039/C6CP02433E","powder diffraction","","0.61969","Synchrotron","","","","","","","","","0.071","6.094","","","","","","","has coordinates","184344","2020-10-21","18:00:00",""
"7225874","10.117","0.003","20.587","0.006","8.167","0.003","90","","95.673","0.006","90","","1692.7","0.9","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H12 Hg2 N4 O6 -","- C14 H12 Hg2 N4 O6 -","- C56 H48 Hg8 N16 O24 -","4","1","","Shan, Fa-Shuo; Lai, Jia-Ping; Sun, Hui; Zhang, Ping; Luo, Chong; He, Yan-Hui; Feng, Huan-Ran","A facile, fast responsive and highly selective mercury (II) probe: characterized by the fluorescence quenching of 2,9-dimethyl-1,10-phenanthroline and two new metal-organic frameworks","RSC Adv.","2016","","","","","10.1039/C6RA13514E","","","0.71073","MoKα","","0.0899","0.0649","","","0.1697","0.1872","","","","","","1.035","","","","has coordinates","184345","2020-10-21","18:00:00",""
"7225875","10.435","0.002","16.024","0.003","17.348","0.003","90","","94.861","0.003","90","","2890.3","0.9","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C28 H24 Cl4 Hg3 N4 -","- C28 H24 Cl4 Hg3 N4 -","- C112 H96 Cl16 Hg12 N16 -","4","0.5","","Shan, Fa-Shuo; Lai, Jia-Ping; Sun, Hui; Zhang, Ping; Luo, Chong; He, Yan-Hui; Feng, Huan-Ran","A facile, fast responsive and highly selective mercury (II) probe: characterized by the fluorescence quenching of 2,9-dimethyl-1,10-phenanthroline and two new metal-organic frameworks","RSC Adv.","2016","","","","","10.1039/C6RA13514E","","","0.71073","MoKα","","0.0511","0.0349","","","0.0857","0.0915","","","","","","1.014","","","","has coordinates","184345","2020-10-21","18:00:00",""
"7225876","12.9314","0.0005","15.0022","0.0004","44.741","0.0012","90","","90","","90","","8679.7","0.5","293","2","293","2","","","","","","","","5","P b c m","-P 2c 2b","57","","2-(tert-Butyl)-4,5,9,10-tetrakis(4-(diphenylamino)phenyl)quinolizino[3,4,5,6-ija]quinolin-11-ium tetrafluoroborate","","- C91 H70 B F4 N5 -","- C91 H70 B F4 N5 -","- C364 H280 B4 F16 N20 -","4","0.5","","Feng, Boya; Wan, Danyang; Yan, Lipeng; Kadam, Vilas D.; You, Jingsong; Gao, Ge","A Facile Access to Substituted Cationic 12-Azapyrene Salts by Rhodium(III)-Catalyzed C‒H Annulation of N-Arylpyridinium Salts","RSC Adv.","2016","","","","","10.1039/C6RA15464F","","x-ray","1.54184","CuKα","","0.0926","0.0733","","","0.2271","0.2447","","","","","","1.058","","","","has coordinates,has disorder","184346","2020-10-21","18:00:00",""
"7225877","30.559","0.002","15.545","0.0008","22.014","0.0016","90","","132.937","0.002","90","","7656","0.9","150","2","150","2","","","","","","","","8","C 1 c 1","C -2yc","9","","","","- C28 H48 B Ce4 K N4 O74 W12 -","- C28 H48 B Ce4 K N4 O74 W12 -","- C112 H192 B4 Ce16 K4 N16 O296 W48 -","4","1","","Najafi, Atefeh; Mirzaei, Masoud; Mague, Joel T.","Structural scope of six new layered to pillar-layered hybrid inorganic‒organic networks bearing [BW12O40]5−and lanthanoid-cluster; database study toward ligand role in assemblies","CrystEngComm","2016","18","35","6724","","10.1039/C6CE01183G","","","0.71073","MoKα","","0.0516","0.0478","","","0.1006","0.1023","","","","","","1.055","","","","has coordinates","186350","2020-10-21","18:00:00",""
"7225878","30.27","0.003","15.5104","0.0013","21.842","0.003","90","","132.839","0.001","90","","7519.5","1.4","150","2","150","2","","","","","","","","8","C 1 c 1","C -2yc","9","","","","- C28 H48 B K N4 O74 Sm4 W12 -","- C28 H48 B K N4 O74 Sm4 W12 -","- C112 H192 B4 K4 N16 O296 Sm16 W48 -","4","1","","Najafi, Atefeh; Mirzaei, Masoud; Mague, Joel T.","Structural scope of six new layered to pillar-layered hybrid inorganic‒organic networks bearing [BW12O40]5−and lanthanoid-cluster; database study toward ligand role in assemblies","CrystEngComm","2016","18","35","6724","","10.1039/C6CE01183G","","","0.71073","MoKα","","0.0703","0.0647","","","0.1336","0.1375","","","","","","1.089","","","","has coordinates","186350","2020-10-21","18:00:00",""
"7225879","30.4412","0.0013","15.5369","0.0007","21.9253","0.001","90","","132.93","0.001","90","","7592.6","0.6","150","2","150","2","","","","","","","","8","C 1 c 1","C -2yc","9","","","","- C28 H48 B K N4 Nd4 O74 W12 -","- C28 H48 B K N4 Nd4 O74 W12 -","- C112 H192 B4 K4 N16 Nd16 O296 W48 -","4","1","","Najafi, Atefeh; Mirzaei, Masoud; Mague, Joel T.","Structural scope of six new layered to pillar-layered hybrid inorganic‒organic networks bearing [BW12O40]5−and lanthanoid-cluster; database study toward ligand role in assemblies","CrystEngComm","2016","18","35","6724","","10.1039/C6CE01183G","","","0.71073","MoKα","","0.0858","0.0672","","","0.127","0.1405","","","","","","1.041","","","","has coordinates","186350","2020-10-21","18:00:00",""
"7225880","16.9847","0.0011","24.2343","0.0016","36.286","0.002","90","","90","","90","","14935.8","1.6","150","2","150","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C14 H58 B Ce3 N2 O77 W12 -","- C14 H58 B Ce3 N2 O77 W12 -","- C112 H464 B8 Ce24 N16 O616 W96 -","8","1","","Najafi, Atefeh; Mirzaei, Masoud; Mague, Joel T.","Structural scope of six new layered to pillar-layered hybrid inorganic‒organic networks bearing [BW12O40]5−and lanthanoid-cluster; database study toward ligand role in assemblies","CrystEngComm","2016","18","35","6724","","10.1039/C6CE01183G","","","0.71073","MoKα","","0.0855","0.0514","","","0.1052","0.1225","","","","","","1.042","","","","has coordinates,has disorder","186350","2020-10-21","18:00:00",""
"7225881","35.825","0.002","11.9982","0.0007","17.1452","0.0009","90","","90","","90","","7369.6","0.7","150","2","150","2","","","","","","","","7","P c a 21","P 2c -2ac","29","","","","- C14 H56 B N2 O75 Sm3 W12 -","- C14 H56 B N2 O75 Sm3 W12 -","- C56 H224 B4 N8 O300 Sm12 W48 -","4","1","","Najafi, Atefeh; Mirzaei, Masoud; Mague, Joel T.","Structural scope of six new layered to pillar-layered hybrid inorganic‒organic networks bearing [BW12O40]5−and lanthanoid-cluster; database study toward ligand role in assemblies","CrystEngComm","2016","18","35","6724","","10.1039/C6CE01183G","","","0.71073","MoKα","","0.0453","0.0378","","","0.0786","0.082","","","","","","1.034","","","","has coordinates,has disorder","186350","2020-10-21","18:00:00",""
"7225882","36.263","0.002","12.0588","0.0007","16.972","0.001","90","","90","","90","","7421.7","0.7","150","2","150","2","","","","","","","","7","P c a 21","P 2c -2ac","29","","","","- C14 H60 B N2 Nd3 O77 W12 -","- C14 H60 B N2 Nd3 O77 W12 -","- C56 H240 B4 N8 Nd12 O308 W48 -","4","1","","Najafi, Atefeh; Mirzaei, Masoud; Mague, Joel T.","Structural scope of six new layered to pillar-layered hybrid inorganic‒organic networks bearing [BW12O40]5−and lanthanoid-cluster; database study toward ligand role in assemblies","CrystEngComm","2016","18","35","6724","","10.1039/C6CE01183G","","","0.71073","MoKα","","0.0467","0.0368","","","0.0773","0.0823","","","","","","1.022","","","","has coordinates,has disorder","186350","2020-10-21","18:00:00",""
"7225883","12.9435","0.0017","13.19","0.0016","17.35","0.002","90","","96.085","0.002","90","","2945.4","0.6","93","","93","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C32 H27 Br Cl3 O P -","- C32 H27 Br Cl3 O P -","- C128 H108 Br4 Cl12 O4 P4 -","4","1","","Liu, Shiyao; Suematsu, Naoki; Maruoka, Keiji; Shirakawa, Seiji","Design of bifunctional quaternary phosphonium salt catalysts for CO2fixation reaction with epoxides under mild conditions","Green Chem.","2016","18","17","4611","","10.1039/C6GC01630H","","","0.71075","MoKα","","0.0311","0.0253","","","0.0543","0.0567","","","","","","1.039","","","","has coordinates","186447","2020-10-21","18:00:00",""
"7225884","8.8686","0.0003","6.9699","0.0003","27.0903","0.001","90","","98.69","0.003","90","","1655.32","0.11","294.9","0.3","294.9","0.3","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C22 H18 O2 -","- C22 H18 O2 -","- C88 H72 O8 -","4","1","","Zhang, Zhenbei; Sun, Qiangsheng; Xu, Daqian; Xia, Chungu; Sun, Wei","Direct halogenative dearomatization of 2-naphthols by NXS (X = Cl, Br) in water","Green Chem.","2016","18","20","5485","","10.1039/C6GC01673A","","x-ray","0.71073","MoKα","","0.0868","0.0545","","","0.1229","0.1434","","","","","","1.028","","","","has coordinates","188250","2020-10-21","18:00:00",""
"7225885","7.5593","0.0003","8.502","0.0003","9.0604","0.0004","90","","90","","90","","582.3","0.04","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C4 H5 Cl O4 -","- C4 H5 Cl O4 -","- C16 H20 Cl4 O16 -","4","1","","Spaniol, Jacqueline M.; Wheeler, Kraig A.","Accessing Centnerszwer's quasiracemate ‒ molecular shape controlled molecular recognition","RSC Adv.","2016","6","69","64921","","10.1039/C6RA08131B","","","1.54178","CuKα","","0.0401","0.04","","","0.1028","0.1029","","","","","","1.116","","","","has coordinates","184384","2020-10-21","18:00:00",""
"7225886","7.5647","0.0005","8.6337","0.0007","9.238","0.0007","90","","90","","90","","603.35","0.08","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C4 H5 Br O4 -","- C4 H5 Br O4 -","- C16 H20 Br4 O16 -","4","1","","Spaniol, Jacqueline M.; Wheeler, Kraig A.","Accessing Centnerszwer's quasiracemate ‒ molecular shape controlled molecular recognition","RSC Adv.","2016","6","69","64921","","10.1039/C6RA08131B","","","1.54178","CuKα","","0.0284","0.0264","","","0.0562","0.0568","","","","","","1.063","","","","has coordinates","184384","2020-10-21","18:00:00",""
"7225887","8.0994","0.0004","8.3605","0.0004","8.8967","0.0007","101.264","0.003","106.468","0.003","118.411","0.002","467.59","0.05","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C7 H9 Br N2 O4 -","- C7 H9 Br N2 O4 -","- C14 H18 Br2 N4 O8 -","2","1","","Spaniol, Jacqueline M.; Wheeler, Kraig A.","Accessing Centnerszwer's quasiracemate ‒ molecular shape controlled molecular recognition","RSC Adv.","2016","6","69","64921","","10.1039/C6RA08131B","","","1.54178","CuKα","","0.0436","0.0425","","","0.114","0.1158","","","","","","1.103","","","","has coordinates","184384","2020-10-21","18:00:00",""
"7225888","7.2825","0.0002","8.8079","0.0003","8.0544","0.0002","90","","108.936","0.002","90","","488.68","0.03","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C7 H9 Br N2 O4 -","- C7 H9 Br N2 O4 -","- C14 H18 Br2 N4 O8 -","2","1","","Spaniol, Jacqueline M.; Wheeler, Kraig A.","Accessing Centnerszwer's quasiracemate ‒ molecular shape controlled molecular recognition","RSC Adv.","2016","6","69","64921","","10.1039/C6RA08131B","","","1.54178","CuKα","","0.0187","0.0184","","","0.0473","0.0473","","","","","","1.079","","","","has coordinates","184384","2020-10-21","18:00:00",""
"7225889","5.0265","0.0003","6.184","0.0003","8.1859","0.0004","93.095","0.003","102.264","0.003","106.883","0.003","236.1","0.02","100","2","100","2","","","","","","","","5","P 1","P 1","1","","","","- C7 H9 Cl N2 O4 -","- C7 H9 Cl N2 O4 -","- C7 H9 Cl N2 O4 -","1","1","","Spaniol, Jacqueline M.; Wheeler, Kraig A.","Accessing Centnerszwer's quasiracemate ‒ molecular shape controlled molecular recognition","RSC Adv.","2016","6","69","64921","","10.1039/C6RA08131B","","","1.54178","CuKα","","0.0238","0.0234","","","0.0575","0.0577","","","","","","1.062","","","","has coordinates","184384","2020-10-21","18:00:00",""
"7225890","8.1185","0.0008","8.2996","0.0008","8.8998","0.0009","100.911","0.005","106.931","0.005","117.952","0.004","467.58","0.09","100","2","100","2","","","","","","","","6","P 1","P 1","1","","","","- C14 H18 Br Cl N4 O8 -","- C14 H18 Br Cl N4 O8 -","- C14 H18 Br Cl N4 O8 -","1","1","","Spaniol, Jacqueline M.; Wheeler, Kraig A.","Accessing Centnerszwer's quasiracemate ‒ molecular shape controlled molecular recognition","RSC Adv.","2016","6","69","64921","","10.1039/C6RA08131B","","","1.54178","CuKα","","0.0333","0.0331","","","0.0831","0.0832","","","","","","1.141","","","","has coordinates","184384","2020-10-21","18:00:00",""
"7225891","7.7692","0.0003","9.6937","0.0005","10.7311","0.0004","102.275","0.003","93.038","0.002","107.62","0.003","746.66","0.06","100","2","100","2","","","","","","","","6","P 1","P 1","1","","","","- C28 H26 Br Cl N4 O12 -","- C28 H26 Br Cl N4 O12 -","- C28 H26 Br Cl N4 O12 -","1","1","","Spaniol, Jacqueline M.; Wheeler, Kraig A.","Accessing Centnerszwer's quasiracemate ‒ molecular shape controlled molecular recognition","RSC Adv.","2016","6","69","64921","","10.1039/C6RA08131B","","","1.54178","CuKα","","0.0361","0.0345","","","0.0794","0.0803","","","","","","1.057","","","","has coordinates,has disorder","184384","2020-10-21","18:00:00",""
"7225892","10.2557","0.001","9.723","0.0018","15.285","0.0014","90","","96.674","0.009","90","","1513.8","0.3","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","1-benzyl-3-iodopyridinium hexafluorophosphate","","","- C12 H11 F6 I N P -","- C12 H11 F6 I N P -","- C48 H44 F24 I4 N4 P4 -","4","1","","Amendola, Valeria; Bergamaschi, Greta; Boiocchi, Massimo; Fusco, Nadia; La Rocca, Mario Vincenzo; Linati, Laura; Lo Presti, Eliana; Mella, Massimo; Metrangolo, Pierangelo; Miljkovic, Ana","Novel hydrogen- and halogen-bonding anion receptors based on 3-iodopyridinium units","RSC Adv.","2016","","","","","10.1039/C6RA14703H","","","0.71073","MoKα","","0.0874","0.0604","","","0.1314","0.1538","","","","","","1.088","","","","has coordinates","184385","2020-10-21","18:00:00",""
"7225893","7.526","0.003","11.789","0.004","30.882","0.006","90","","90","","90","","2740","1.5","293","2","293","2","","","","","","","","4","P c 21 b","P -2bc -2c","29","bis(1-benzyl-3-iodopyridinium iodide)","","","- C12 H11 I2 N -","- C12 H11 I2 N -","- C96 H88 I16 N8 -","8","2","","Amendola, Valeria; Bergamaschi, Greta; Boiocchi, Massimo; Fusco, Nadia; La Rocca, Mario Vincenzo; Linati, Laura; Lo Presti, Eliana; Mella, Massimo; Metrangolo, Pierangelo; Miljkovic, Ana","Novel hydrogen- and halogen-bonding anion receptors based on 3-iodopyridinium units","RSC Adv.","2016","","","","","10.1039/C6RA14703H","","","0.71073","MoKα","","0.0403","0.0323","","","0.063","0.0677","","","","","","1.081","","","","has coordinates","193656","2020-10-21","18:00:00",""
"7225894","11.352","0.002","13.844","0.003","14.366","0.003","118.339","0.004","101.442","0.004","99.631","0.004","1856","0.7","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","1,3,5-tris(3-iodo-1-pyridiniomethyl)-2,4,6-trimethylbenzene nitrate hexafluorophosphate","","- C27 H27 F6 I3 N5 O6 P -","- C27 H27 F6 I3 N5 O6 P -","- C54 H54 F12 I6 N10 O12 P2 -","2","1","","Amendola, Valeria; Bergamaschi, Greta; Boiocchi, Massimo; Fusco, Nadia; La Rocca, Mario Vincenzo; Linati, Laura; Lo Presti, Eliana; Mella, Massimo; Metrangolo, Pierangelo; Miljkovic, Ana","Novel hydrogen- and halogen-bonding anion receptors based on 3-iodopyridinium units","RSC Adv.","2016","","","","","10.1039/C6RA14703H","","","0.71073","MoKα","","0.0926","0.073","","","0.2343","0.2561","","","","","","1.061","","","","has coordinates,has disorder","184385","2020-10-21","18:00:00",""
"7225895","24.1628","0.0019","11.4413","0.0009","27.559","0.002","90","","97.9772","0.0014","90","","7545.1","1","293","2","293","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","1,3,5-tris(3-iodo-1-pyridiniomethyl)-2,4,6-trimethylbenzene bromide hexafluorophosphate","","","- C27 H27 Br F12 I3 N3 P2 -","- C27 H27 Br F12 I3 N3 P2 -","- C216 H216 Br8 F96 I24 N24 P16 -","8","1","","Amendola, Valeria; Bergamaschi, Greta; Boiocchi, Massimo; Fusco, Nadia; La Rocca, Mario Vincenzo; Linati, Laura; Lo Presti, Eliana; Mella, Massimo; Metrangolo, Pierangelo; Miljkovic, Ana","Novel hydrogen- and halogen-bonding anion receptors based on 3-iodopyridinium units","RSC Adv.","2016","","","","","10.1039/C6RA14703H","","","0.71073","MoKα","","0.092","0.0651","","","0.1877","0.2127","","","","","","1.064","","","","has coordinates","184385","2020-10-21","18:00:00",""
"7225896","6.8882","0.0014","8.7091","0.0018","44.043","0.009","90","","94.482","0.005","90","","2634.1","0.9","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H20 Cl6 Mg O12 -","- C16 H20 Cl6 Mg O12 -","- C64 H80 Cl24 Mg4 O48 -","4","1","","Xu, Xiuling; Hu, Fan; Yan, Sai sai; Lin, Jian guang; Li, Qing; Shuai, Qi","Eco-friendly Microwave Synthesis of Mg(II) Phenoxy Carboxylic Acid Coordination Compounds with Specific Motifs Driven by Multiple Hydrogen Bonding","RSC Adv.","2016","","","","","10.1039/C6RA09589E","","","0.71073","MoKα","","0.0685","0.0557","","","0.1545","0.1666","","","","","","1.08","","","","has coordinates","184386","2020-10-21","18:00:00",""
"7225897","5.184","0.001","27.263","0.003","7.405","0.001","90","","107.443","0.002","90","","998.4","0.3","298","2","298","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C16 H20 Cl2 Mg O10 -","- C16 H20 Cl2 Mg O10 -","- C32 H40 Cl4 Mg2 O20 -","2","1","","Xu, Xiuling; Hu, Fan; Yan, Sai sai; Lin, Jian guang; Li, Qing; Shuai, Qi","Eco-friendly Microwave Synthesis of Mg(II) Phenoxy Carboxylic Acid Coordination Compounds with Specific Motifs Driven by Multiple Hydrogen Bonding","RSC Adv.","2016","","","","","10.1039/C6RA09589E","","","0.71073","MoKα","","0.0359","0.0347","","","0.097","0.0981","","","","","","1.02","","","","has coordinates","184386","2020-10-21","18:00:00",""
"7225898","32.25","0.02","7.404","0.004","10.322","0.006","90","","101.511","0.008","90","","2415","2","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C18 H28 Cl2 Mg O12 -","- C18 H28 Cl2 Mg O12 -","- C72 H112 Cl8 Mg4 O48 -","4","0.5","","Xu, Xiuling; Hu, Fan; Yan, Sai sai; Lin, Jian guang; Li, Qing; Shuai, Qi","Eco-friendly Microwave Synthesis of Mg(II) Phenoxy Carboxylic Acid Coordination Compounds with Specific Motifs Driven by Multiple Hydrogen Bonding","RSC Adv.","2016","","","","","10.1039/C6RA09589E","","","0.71073","MoKα","","0.1109","0.0867","","","0.2536","0.2662","","","","","","1.096","","","","has coordinates","184386","2020-10-21","18:00:00",""
"7225899","7.379","0.005","7.494","0.005","20.56","0.01","92.8","0.1","92.5","0.1","90.94","0.01","1134.3","1.2","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H20 Cl4 Mg O11 -","- C16 H20 Cl4 Mg O11 -","- C32 H40 Cl8 Mg2 O22 -","2","1","","Xu, Xiuling; Hu, Fan; Yan, Sai sai; Lin, Jian guang; Li, Qing; Shuai, Qi","Eco-friendly Microwave Synthesis of Mg(II) Phenoxy Carboxylic Acid Coordination Compounds with Specific Motifs Driven by Multiple Hydrogen Bonding","RSC Adv.","2016","","","","","10.1039/C6RA09589E","","","0.71073","MoKα","","0.0718","0.0687","","","0.2196","0.2418","","","","","","1.059","","","","has coordinates","184386","2020-10-21","18:00:00",""
"7225900","11.408","0.003","13.27","0.005","18.477","0.004","90","","90","","90","","2797.1","1.4","150.15","","150.15","","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C26 H30 Cl2 N2 O3 Ru S2 -","- C26 H30 Cl2 N2 O3 Ru S2 -","- C104 H120 Cl8 N8 O12 Ru4 S8 -","4","1","","Mary Sheeba, Mani; Muthu Tamizh, M.; Babu, S. Ganesh; Bhuvanesh, Nattamai; Karvembu, R.","Ru(II)-p-cymene complexes containing ester of chiral D/L-phenylalanine derived aroylthiourea ligands for enantioselective reduction of pro-chiral ketones","RSC Adv.","2016","","","","","10.1039/C6RA12428C","","","0.71073","MoKα","","0.0263","0.024","","","0.0579","0.0593","","","","","","1.051","","","","has coordinates","184388","2020-10-21","18:00:00",""
"7225901","11.398","0.002","13.064","0.003","18.578","0.004","90","","90","","90","","2766.3","1","150.15","","150.15","","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C26 H30 Cl2 N2 O4 Ru S -","- C26 H30 Cl2 N2 O4 Ru S -","- C104 H120 Cl8 N8 O16 Ru4 S4 -","4","1","","Mary Sheeba, Mani; Muthu Tamizh, M.; Babu, S. Ganesh; Bhuvanesh, Nattamai; Karvembu, R.","Ru(II)-p-cymene complexes containing ester of chiral D/L-phenylalanine derived aroylthiourea ligands for enantioselective reduction of pro-chiral ketones","RSC Adv.","2016","","","","","10.1039/C6RA12428C","","","0.71073","MoKα","","0.0296","0.0273","","","0.0711","0.0727","","","","","","1.043","","","","has coordinates","184388","2020-10-21","18:00:00",""
"7225902","11.9242","0.0006","26.5717","0.0013","5.0373","0.0003","90","","90","","90","","1596.05","0.15","110","","110","","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C17 H16 N2 O3 S -","- C17 H16 N2 O3 S -","- C68 H64 N8 O12 S4 -","4","1","","Mary Sheeba, Mani; Muthu Tamizh, M.; Babu, S. Ganesh; Bhuvanesh, Nattamai; Karvembu, R.","Ru(II)-p-cymene complexes containing ester of chiral D/L-phenylalanine derived aroylthiourea ligands for enantioselective reduction of pro-chiral ketones","RSC Adv.","2016","","","","","10.1039/C6RA12428C","","","0.71073","MoKα","","0.0751","0.0581","","","0.1084","0.1138","","","","","","1.104","","","","has coordinates","184388","2020-10-21","18:00:00",""
"7225903","8.79","0.002","15.553","0.002","16.313","0.002","90","","90","","90","","2230.2","0.6","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C25 H26 N2 O4 S -","- C25 H26 N2 O4 S -","- C100 H104 N8 O16 S4 -","4","1","","Ghandi, Mehdi; Zarezadeh, Nahid; Abbasi, Alireza","Diastereolective synthesis of novel tetra-and pentacyclic annulated coumarino-δ-sultam pyrrolidine, pyrrolizidine, pyrrolothiazole and isoxazolidine derivatives via intramolecular 1,3-dipolar cycloadditions","RSC Adv.","2016","","","","","10.1039/C6RA14169B","","","0.71073","MoKα","","0.0376","0.0343","","","0.081","0.0834","","","","","","1.042","","","","has coordinates","184389","2020-10-21","18:00:00",""
"7225904","14.898","0.003","11.159","0.002","17.179","0.003","90","","108.33","0.03","90","","2711","1","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C33 H28 N2 O5 S -","- C33 H28 N2 O5 S -","- C132 H112 N8 O20 S4 -","4","1","","Ghandi, Mehdi; Zarezadeh, Nahid; Abbasi, Alireza","Diastereolective synthesis of novel tetra-and pentacyclic annulated coumarino-δ-sultam pyrrolidine, pyrrolizidine, pyrrolothiazole and isoxazolidine derivatives via intramolecular 1,3-dipolar cycloadditions","RSC Adv.","2016","","","","","10.1039/C6RA14169B","","","0.71073","MoKα","","0.1635","0.0972","","","0.1983","0.2365","","","","","","1.079","","","","has coordinates","184389","2020-10-21","18:00:00",""
"7225905","13.148","0.003","16.285","0.003","17.991","0.006","90","","133.17","0.018","90","","2809.5","1.5","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C33 H28 N2 O4 S -","- C33 H28 N2 O4 S -","- C132 H112 N8 O16 S4 -","4","1","","Ghandi, Mehdi; Zarezadeh, Nahid; Abbasi, Alireza","Diastereolective synthesis of novel tetra-and pentacyclic annulated coumarino-δ-sultam pyrrolidine, pyrrolizidine, pyrrolothiazole and isoxazolidine derivatives via intramolecular 1,3-dipolar cycloadditions","RSC Adv.","2016","","","","","10.1039/C6RA14169B","","","0.71073","MoKα","","0.0567","0.0455","","","0.1037","0.1095","","","","","","1.075","","","","has coordinates","184389","2020-10-21","18:00:00",""
"7225906","7.1752","0.0007","10.3078","0.001","12.3995","0.0012","86.613","0.002","87.488","0.002","71.906","0.002","869.89","0.15","100","2","100","2","","","","","","","","5","P -1","-P 1","2","ethylene-9,9'-diadenine","9,9'-(1,2-ethanediyl)bis-9H-purin-6-amine tetra-1,1,1,3,3,3-hexafluoro-2-propanol solvate","","- C24 H20 F24 N10 O4 -","- C24 H20 F24 N10 O4 -","- C24 H20 F24 N10 O4 -","1","0.5","","Qi, L.; Gundersen, L.-L.; Chamgordani, E. J.; Görbitz, C. H.","Watson‒Crick base pairing in 9-methyladenine and ethylene-9,9′-diadenine structures with close to 70% solvent content","CrystEngComm","2016","18","34","6352","","10.1039/C6CE01159D","","","0.71073","MoKα","","0.0506","0.0365","","","0.0818","0.0884","","","","","","1.025","","","","has coordinates","186352","2020-10-21","18:00:00",""
"7225907","12.15","0.003","12.921","0.003","13.546","0.003","113.938","0.005","101.075","0.006","96.166","0.006","1866.3","0.8","100","2","100","2","","","","","","","","5","P -1","-P 1","2","9-methyladenine dihexafluoro-2-propanol solvate","9-methyladenine di-1,1,1,3,3,3-hexafluoro-2-propanol solvate","","- C12 H11 F12 N5 O2 -","- C12 H11 F12 N5 O2 -","- C48 H44 F48 N20 O8 -","4","2","","Qi, L.; Gundersen, L.-L.; Chamgordani, E. J.; Görbitz, C. H.","Watson‒Crick base pairing in 9-methyladenine and ethylene-9,9′-diadenine structures with close to 70% solvent content","CrystEngComm","2016","18","34","6352","","10.1039/C6CE01159D","","","0.71073","MoKα","","0.0991","0.056","","","0.1058","0.1211","","","","","","1.046","","","","has coordinates","186352","2020-10-21","18:00:00",""
"7225908","16.1748","0.0018","7.7639","0.0009","7.539","0.0008","90","","91.191","0.002","90","","946.54","0.18","300","2","300","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","BDHN-TTF","bis(4,5-dihydronaphto[1,2-d])tetrathiafulvalene","","- C22 H16 S4 -","- C22 H16 S4 -","- C44 H32 S8 -","2","0.5","","Campos, Antonio; Oxtoby, Neil; Galindo, Sergi; Pfattner, Raphael; Veciana, Jaume; Bromley, Stefan T.; Rovira, Concepció; Mas-Torrent, Marta","Structural and electronic characterisation of π-extended tetrathiafulvalene derivatives as active components in field-effect transistors.","CrystEngComm","2016","18","33","6149","6152","10.1039/c6ce01200k","","","0.71073","MoKα","","0.0463","0.036","","","0.0985","0.1062","","","","","","1.036","","","","has coordinates","188088","2020-10-21","18:00:00",""
"7225909","3.9274","0.0014","7.167","0.003","15.716","0.006","83.267","0.006","89.379","0.006","80.859","0.006","433.7","0.3","300","2","300","2","","","","","","","","3","P -1","-P 1","2","BN-TTF","bis(naphtho[1,2-d])tetrathiafulvalene","","- C22 H12 S4 -","- C22 H12 S4 -","- C22 H12 S4 -","1","0.5","","Campos, Antonio; Oxtoby, Neil; Galindo, Sergi; Pfattner, Raphael; Veciana, Jaume; Bromley, Stefan T.; Rovira, Concepció; Mas-Torrent, Marta","Structural and electronic characterisation of π-extended tetrathiafulvalene derivatives as active components in field-effect transistors.","CrystEngComm","2016","18","33","6149","6152","10.1039/c6ce01200k","","","0.71073","MoKα","","0.1119","0.0492","","","0.098","0.1131","","","","","","0.968","","","","has coordinates","188088","2020-10-21","18:00:00",""
"7225910","6.4475","0.0015","15.152","0.004","16.598","0.005","90","","90","","90","","1621.5","0.8","296","2","296","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","1,2-dihydro-1-(4-hydroxy-3-methoxyphenyl)benzo[f]chromen-3-one","","- C20 H16 O4 -","- C20 H16 O4 -","- C80 H64 O16 -","4","1","","R, Narendran; Subramaniam, Shankar; Raja, MR Charan; Venkatasubba Rao, Himesh Makala; R, Subhashree; Ulaganathan, Venkatasubramanian; Pemiah, Brindha; Kar Mahapatra, Santanu; Sivasubramanian, Aravind","Design, synthesis and in-vitro anti-leukemic evaluation of ferulic acid analogues as BCR-Abl inhibitors","RSC Adv.","2016","","","","","10.1039/C6RA10106B","","","0.71073","MoKα","","0.0305","0.0266","","","0.0604","0.0632","","","","","","1.043","","","","has coordinates","184439","2020-10-21","18:00:00",""
"7225911","8.4538","0.0006","10.1122","0.0006","11.6442","0.0007","66.97","0.003","85.59","0.003","84.25","0.003","910.71","0.1","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C20 H21 N O5 -","- C20 H21 N O5 -","- C40 H42 N2 O10 -","2","1","","R, Narendran; Subramaniam, Shankar; Raja, MR Charan; Venkatasubba Rao, Himesh Makala; R, Subhashree; Ulaganathan, Venkatasubramanian; Pemiah, Brindha; Kar Mahapatra, Santanu; Sivasubramanian, Aravind","Design, synthesis and in-vitro anti-leukemic evaluation of ferulic acid analogues as BCR-Abl inhibitors","RSC Adv.","2016","","","","","10.1039/C6RA10106B","","","0.71073","MoKα","","0.0995","0.0485","","","0.1149","0.144","","","","","","1.029","","","","has coordinates","184439","2020-10-21","18:00:00",""
"7225912","5.9188","0.0009","9.0339","0.0015","16.647","0.003","83.228","0.005","87.565","0.005","87.189","0.005","882.2","0.3","296","","296","","","","","","","","","5","P -1","-P 1","2","","","","- C21 H14 Br Cl N2 -","- C21 H14 Br Cl N2 -","- C42 H28 Br2 Cl2 N4 -","2","1","","Xue, Shuwen; Liu, Jiaming; Qing, Xushun; Wang, Cunde","Brönsted acid-mediated Annulations of 1-Cyanocyclopropane-1-carboxylates with Arylhydrazines: Efficient Strategy for Synthesis of 1,3,5-Trisubstituted Pyrazoles","RSC Adv.","2016","","","","","10.1039/C6RA14557D","","","0.71073","MoKα","","0.0758","0.0397","","","0.0948","0.106","","","","","","1.001","","","","has coordinates","184440","2020-10-21","18:00:00",""
"7225913","5.8446","0.0007","10.7346","0.0016","27.54","0.004","90","","90","","90","","1727.8","0.4","296","","296","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C21 H15 Br N2 -","- C21 H15 Br N2 -","- C84 H60 Br4 N8 -","4","1","","Xue, Shuwen; Liu, Jiaming; Qing, Xushun; Wang, Cunde","Brönsted acid-mediated Annulations of 1-Cyanocyclopropane-1-carboxylates with Arylhydrazines: Efficient Strategy for Synthesis of 1,3,5-Trisubstituted Pyrazoles","RSC Adv.","2016","","","","","10.1039/C6RA14557D","","","0.71073","MoKα","","0.1064","0.0696","","","0.1993","0.2228","","","","","","1.046","","","","has coordinates","184440","2020-10-21","18:00:00",""
"7225914","20.6551","0.0005","20.6551","0.0005","15.9903","0.0008","90","","90","","90","","6822","0.4","296","","296","","","","","","","","","4","I 41/a :2","-I 4ad","88","","","","- C21 H15 Cl N2 -","- C21 H15 Cl N2 -","- C336 H240 Cl16 N32 -","16","1","","Xue, Shuwen; Liu, Jiaming; Qing, Xushun; Wang, Cunde","Brönsted acid-mediated Annulations of 1-Cyanocyclopropane-1-carboxylates with Arylhydrazines: Efficient Strategy for Synthesis of 1,3,5-Trisubstituted Pyrazoles","RSC Adv.","2016","","","","","10.1039/C6RA14557D","","","0.71073","MoKα","","0.0477","0.0383","","","0.1039","0.1139","","","","","","1.073","","","","has coordinates","184440","2020-10-21","18:00:00",""
"7225915","9.49","0.003","12.047","0.004","16.469","0.005","100.826","0.008","99.318","0.008","90.148","0.008","1823.9","1","296","","296","","","","","","","","","5","P -1","-P 1","2","","","","- C22 H17 Cl N2 O -","- C22 H17 Cl N2 O -","- C88 H68 Cl4 N8 O4 -","4","2","","Xue, Shuwen; Liu, Jiaming; Qing, Xushun; Wang, Cunde","Brönsted acid-mediated Annulations of 1-Cyanocyclopropane-1-carboxylates with Arylhydrazines: Efficient Strategy for Synthesis of 1,3,5-Trisubstituted Pyrazoles","RSC Adv.","2016","","","","","10.1039/C6RA14557D","","","0.71073","MoKα","","0.1998","0.1081","","","0.2915","0.3159","","","","","","1.048","","","","has coordinates","184440","2020-10-21","18:00:00",""
"7225916","9.1743","0.0006","12.4421","0.0009","16.598","0.0012","90","","90","","90","","1894.6","0.2","296","","296","","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C21 H13 Br Cl2 N2 -","- C21 H13 Br Cl2 N2 -","- C84 H52 Br4 Cl8 N8 -","4","1","","Xue, Shuwen; Liu, Jiaming; Qing, Xushun; Wang, Cunde","Brönsted acid-mediated Annulations of 1-Cyanocyclopropane-1-carboxylates with Arylhydrazines: Efficient Strategy for Synthesis of 1,3,5-Trisubstituted Pyrazoles","RSC Adv.","2016","","","","","10.1039/C6RA14557D","","","0.71073","MoKα","","0.0833","0.0665","","","0.1928","0.2118","","","","","","1.042","","","","has coordinates","184440","2020-10-21","18:00:00",""
"7225917","16.599","0.004","7.731","0.002","17.121","0.004","90","","111.991","0.004","90","","2037.2","0.9","296","2","296.15","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C28 H20 N2 O -","- C28 H20 N2 O -","- C112 H80 N8 O4 -","4","1","","Zhao, He; Wang, Yongtao; Harrington, Steven; Ma, Lei; Hu, Shuzhi; Wu, Xue; Tang, Huan; Xue, Mei; Wang, Yubin","Remarkable substitution influence on the mechanochromism of cyanostilbene derivatives","RSC Adv.","2016","6","71","66477","","10.1039/C6RA14707K","","","0.71073","MoKα","","0.0695","0.0425","","","0.1016","0.1188","","","","","","1.021","","","","has coordinates","184441","2020-10-21","18:00:00",""
"7225918","16.672","0.012","13.929","0.01","8.865","0.006","90","","102.965","0.008","90","","2006","2","296","2","296.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C27 H17 Cl N2 -","- C27 H17 Cl N2 -","- C108 H68 Cl4 N8 -","4","1","","Zhao, He; Wang, Yongtao; Harrington, Steven; Ma, Lei; Hu, Shuzhi; Wu, Xue; Tang, Huan; Xue, Mei; Wang, Yubin","Remarkable substitution influence on the mechanochromism of cyanostilbene derivatives","RSC Adv.","2016","6","71","66477","","10.1039/C6RA14707K","","","0.71073","MoKα","","0.0519","0.038","","","0.0905","0.1004","","","","","","1.031","","","","has coordinates","184441","2020-10-21","18:00:00",""
"7225919","18.495","0.004","13.396","0.003","7.8586","0.0017","90","","96.436","0.004","90","","1934.8","0.7","296","2","296.15","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C27 H18 N2 -","- C27 H18 N2 -","- C108 H72 N8 -","4","1","","Zhao, He; Wang, Yongtao; Harrington, Steven; Ma, Lei; Hu, Shuzhi; Wu, Xue; Tang, Huan; Xue, Mei; Wang, Yubin","Remarkable substitution influence on the mechanochromism of cyanostilbene derivatives","RSC Adv.","2016","6","71","66477","","10.1039/C6RA14707K","","","0.71073","MoKα","","0.0839","0.0506","","","0.1193","0.1412","","","","","","1.019","","","","has coordinates","184441","2020-10-21","18:00:00",""
"7225920","16.517","0.004","13.934","0.003","9.048","0.002","90","","103.642","0.004","90","","2023.6","0.8","296","2","296.15","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C28 H20 N2 -","- C28 H20 N2 -","- C112 H80 N8 -","4","1","","Zhao, He; Wang, Yongtao; Harrington, Steven; Ma, Lei; Hu, Shuzhi; Wu, Xue; Tang, Huan; Xue, Mei; Wang, Yubin","Remarkable substitution influence on the mechanochromism of cyanostilbene derivatives","RSC Adv.","2016","6","71","66477","","10.1039/C6RA14707K","","","0.71073","MoKα","","0.1029","0.0516","","","0.1164","0.1429","","","","","","0.954","","","","has coordinates","184441","2020-10-21","18:00:00",""
"7225921","17.245","0.011","13.979","0.009","8.714","0.006","90","","103.29","0.01","90","","2044","2","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C27 H17 N3 O2 -","- C27 H17 N3 O2 -","- C108 H68 N12 O8 -","4","1","","Zhao, He; Wang, Yongtao; Harrington, Steven; Ma, Lei; Hu, Shuzhi; Wu, Xue; Tang, Huan; Xue, Mei; Wang, Yubin","Remarkable substitution influence on the mechanochromism of cyanostilbene derivatives","RSC Adv.","2016","6","71","66477","","10.1039/C6RA14707K","","","0.71073","MoKα","","0.1947","0.0857","","","0.2015","0.2691","","","","","","0.969","","","","has coordinates","184441","2020-10-21","18:00:00",""
"7225922","3.8397","0.0019","16.676","0.008","20.455","0.01","90","","93.894","0.01","90","","1306.7","1.1","273","2","273.15","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C15 H14 O6 -","- C15 H14 O6 -","- C60 H56 O24 -","4","1","","Zou, Fang; Tang, Xiao; Huang, Yuhong; Wan, Shigang; Lu, Fa; Chen, Zhe-Ning; Wu, Anan; Zhang, Hui","Fluorescence of a triple-stranded helicate iron(iii) complex from a novel bis-β-diketone ligand: synthesis, structure and spectroscopic studies","CrystEngComm","2016","18","35","6624","","10.1039/C6CE01231K","","","0.71073","MoKα","","0.1145","0.0862","","","0.1869","0.2022","","","","","","1.13","","","","has coordinates","186347","2020-10-21","18:00:00",""
"7225923","14.2812","0.0002","16.2445","0.0002","18.4229","0.0003","111.657","0.001","101.872","0.001","108.452","0.001","3506.82","0.1","173","2","173.15","","","","","","","","","5","P -1","-P 1","2","","","","- C65 H81 Fe2 N O26 -","- C45 H40 Fe2 O20 -","- C90 H80 Fe4 O40 -","2","1","","Zou, Fang; Tang, Xiao; Huang, Yuhong; Wan, Shigang; Lu, Fa; Chen, Zhe-Ning; Wu, Anan; Zhang, Hui","Fluorescence of a triple-stranded helicate iron(iii) complex from a novel bis-β-diketone ligand: synthesis, structure and spectroscopic studies","CrystEngComm","2016","18","35","6624","","10.1039/C6CE01231K","","","1.54184","CuKα","","0.0474","0.0393","","","0.1201","0.1244","","","","","","1.112","","","","has coordinates","186347","2020-10-21","18:00:00",""
"7225924","12.6126","0.0002","13.5051","0.0002","14.6564","0.0003","73.585","0.001","87.921","0.001","71.445","0.001","2266.3","0.07","173","2","173.15","","","","","","","","","5","P -1","-P 1","2","","","","- C45 H43 Cd N3 O13 -","- C45 H41 Cd N3 O13 -","- C90 H82 Cd2 N6 O26 -","2","1","","Zou, Fang; Tang, Xiao; Huang, Yuhong; Wan, Shigang; Lu, Fa; Chen, Zhe-Ning; Wu, Anan; Zhang, Hui","Fluorescence of a triple-stranded helicate iron(iii) complex from a novel bis-β-diketone ligand: synthesis, structure and spectroscopic studies","CrystEngComm","2016","18","35","6624","","10.1039/C6CE01231K","","","1.54178","CuKα","","0.0374","0.0363","","","0.1041","0.1053","","","","","","1.091","","","","has coordinates","186347","2020-10-21","18:00:00",""
"7225925","10.915","0.007","9.528","0.006","24.559","0.015","90","","101.895","0.011","90","","2499","3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C27 H26 Cd N2 O6 -","- C27 H26 Cd N2 O6 -","- C108 H104 Cd4 N8 O24 -","4","1","","Qu, Xiang-Long; Zheng, Xiaoli; Li, Xia","A Series of transition metal‒organic frameworks: Crystal structures, luminescence properties, and sensitizing for luminescent Ln(III) ions in aqueous solution","RSC Adv.","2016","","","","","10.1039/C6RA08419B","","","0.71073","MoKα","","0.0966","0.0663","","","0.1575","0.1744","","","","","","1.043","","","","has coordinates","184452","2020-10-21","18:00:00",""
"7225926","28.491","0.019","13.162","0.009","21.213","0.014","90","","102.974","0.011","90","","7752","9","296","2","296","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C82 H60 Cd4 N4 O20 -","- C82 H60 Cd4 N4 O20 -","- C328 H240 Cd16 N16 O80 -","4","1","","Qu, Xiang-Long; Zheng, Xiaoli; Li, Xia","A Series of transition metal‒organic frameworks: Crystal structures, luminescence properties, and sensitizing for luminescent Ln(III) ions in aqueous solution","RSC Adv.","2016","","","","","10.1039/C6RA08419B","","","0.71073","MoKα","","0.1242","0.0605","","","0.1221","0.1484","","","","","","1.024","","","","has coordinates","184452","2020-10-21","18:00:00",""
"7225927","12.429","0.004","7.95","0.002","18.881","0.004","90","","112.685","0.015","90","","1721.3","0.8","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H17 N3 O5.5 Zn -","- C18 H16.78 N3 O5.39 Zn -","- C72 H67.12 N12 O21.56 Zn4 -","4","1","","Qu, Xiang-Long; Zheng, Xiaoli; Li, Xia","A Series of transition metal‒organic frameworks: Crystal structures, luminescence properties, and sensitizing for luminescent Ln(III) ions in aqueous solution","RSC Adv.","2016","","","","","10.1039/C6RA08419B","","","0.71073","MoKα","","0.1109","0.1073","","","0.262","0.2637","","","","","","1.063","","","","has coordinates,has disorder","184452","2020-10-21","18:00:00",""
"7225928","19.615","0.003","13.1022","0.0019","18.765","0.003","90","","97.504","0.003","90","","4781.3","1.3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C54 H46 N4 O11 Zn2 -","- C54 H46 N4 O11 Zn2 -","- C216 H184 N16 O44 Zn8 -","4","1","","Qu, Xiang-Long; Zheng, Xiaoli; Li, Xia","A Series of transition metal‒organic frameworks: Crystal structures, luminescence properties, and sensitizing for luminescent Ln(III) ions in aqueous solution","RSC Adv.","2016","","","","","10.1039/C6RA08419B","","","0.71073","MoKα","","0.0861","0.0466","","","0.0716","0.0823","","","","","","1.002","","","","has coordinates","184452","2020-10-21","18:00:00",""
"7225929","9.272","0.0016","12.259","0.002","21.112","0.004","90","","101.067","0.003","90","","2355.1","0.7","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C27 H24 N2 O6 Zn -","- C27 H24 N2 O6 Zn -","- C108 H96 N8 O24 Zn4 -","4","1","","Qu, Xiang-Long; Zheng, Xiaoli; Li, Xia","A Series of transition metal‒organic frameworks: Crystal structures, luminescence properties, and sensitizing for luminescent Ln(III) ions in aqueous solution","RSC Adv.","2016","","","","","10.1039/C6RA08419B","","","0.71073","MoKα","","0.0726","0.0484","","","0.0934","0.1027","","","","","","1.037","","","","has coordinates","184452","2020-10-21","18:00:00",""
"7225930","10.2363","0.0014","17.779","0.003","12.1196","0.0017","90","","109.452","0.002","90","","2079.8","0.5","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H20 Cu N6 O4 -","- C22 H20 Cu N6 O4 -","- C88 H80 Cu4 N24 O16 -","4","1","","Qu, Xiang-Long; Zheng, Xiaoli; Li, Xia","A Series of transition metal‒organic frameworks: Crystal structures, luminescence properties, and sensitizing for luminescent Ln(III) ions in aqueous solution","RSC Adv.","2016","","","","","10.1039/C6RA08419B","","","0.71073","MoKα","","0.0888","0.048","","","0.0664","0.0746","","","","","","1.059","","","","has coordinates","184452","2020-10-21","18:00:00",""
"7225931","20.666","0.009","14.423","0.006","8.174","0.005","90","","97.093","0.008","90","","2418","2","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C44 H46 Co2 N12 O13 -","- C44 H46 Co2 N12 O13 -","- C88 H92 Co4 N24 O26 -","2","0.25","","Qu, Xiang-Long; Zheng, Xiaoli; Li, Xia","A Series of transition metal‒organic frameworks: Crystal structures, luminescence properties, and sensitizing for luminescent Ln(III) ions in aqueous solution","RSC Adv.","2016","","","","","10.1039/C6RA08419B","","","0.71073","MoKα","","0.0345","0.0312","","","0.0788","0.0809","","","","","","1.061","","","","has coordinates","184452","2020-10-21","18:00:00",""
"7225932","5.616","0.003","9.35","0.004","25.07","0.01","88.325","0.01","87.442","0.009","83.16","0.009","1305.4","1","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C33 H24 N2 O3 -","- C33 H24 N2 O3 -","- C66 H48 N4 O6 -","2","1","","Han, Fang-Fang; zhang, ran; Zhang, Zhao-Ming; Su, Jian-Guo; Ni, Zhong-Hai","A new TICT and AIE-active tetraphenylethene-based Schiff base with reversible piezofluorochromism","RSC Adv.","2016","","","","","10.1039/C6RA14729A","","","0.71073","MoKα","","0.1721","0.0599","","","0.0971","0.1165","","","","","","1","","","","has coordinates","184453","2020-10-21","18:00:00",""
"7225933","9.84","0.0006","10.5881","0.0006","11.9083","0.0007","101.314","0.001","111.176","0.001","93.081","0.001","1123.84","0.11","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C15 H19 La N8 O10 -","- C15 H19 La N8 O10 -","- C30 H38 La2 N16 O20 -","2","1","","Du, Ning; Gao, Xue; Song, Jian; Wang, Zhi Nan; Xing, Yong Heng; Bai, Fengying; Shi, Zhan","Optical detection small biomolecule thiamines of micromolar level by highly luminescent lanthanide complexes with tridentate N-heterocyclic ligand","RSC Adv.","2016","","","","","10.1039/C6RA10869E","","","0.71073","MoKα","","0.0379","0.0309","","","0.0646","0.0682","","","","","","1.032","","","","has coordinates","184454","2020-10-21","18:00:00",""
"7225934","9.8357","0.0011","10.5776","0.0012","11.876","0.0013","101.212","0.002","111.261","0.002","93.071","0.002","1119","0.2","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C15 H19 Ce N8 O10 -","- C15 H19 Ce N8 O10 -","- C30 H38 Ce2 N16 O20 -","2","1","","Du, Ning; Gao, Xue; Song, Jian; Wang, Zhi Nan; Xing, Yong Heng; Bai, Fengying; Shi, Zhan","Optical detection small biomolecule thiamines of micromolar level by highly luminescent lanthanide complexes with tridentate N-heterocyclic ligand","RSC Adv.","2016","","","","","10.1039/C6RA10869E","","","0.71073","MoKα","","0.03","0.0257","","","0.0613","0.0636","","","","","","1.059","","","","has coordinates","184454","2020-10-21","18:00:00",""
"7225935","9.8334","0.0006","10.5636","0.0007","11.8353","0.0008","101.147","0.001","111.309","0.001","93.068","0.001","1113.4","0.13","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C15 H19 N8 O10 Pr -","- C15 H19 N8 O10 Pr -","- C30 H38 N16 O20 Pr2 -","2","1","","Du, Ning; Gao, Xue; Song, Jian; Wang, Zhi Nan; Xing, Yong Heng; Bai, Fengying; Shi, Zhan","Optical detection small biomolecule thiamines of micromolar level by highly luminescent lanthanide complexes with tridentate N-heterocyclic ligand","RSC Adv.","2016","","","","","10.1039/C6RA10869E","","","0.71073","MoKα","","0.0325","0.0276","","","0.0654","0.0686","","","","","","1.036","","","","has coordinates","184454","2020-10-21","18:00:00",""
"7225936","9.847","0.003","10.559","0.003","11.81","0.004","100.957","0.005","111.374","0.004","93.104","0.005","1112.4","0.6","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C15 H19 N8 Nd O10 -","- C15 H19 N8 Nd O10 -","- C30 H38 N16 Nd2 O20 -","2","1","","Du, Ning; Gao, Xue; Song, Jian; Wang, Zhi Nan; Xing, Yong Heng; Bai, Fengying; Shi, Zhan","Optical detection small biomolecule thiamines of micromolar level by highly luminescent lanthanide complexes with tridentate N-heterocyclic ligand","RSC Adv.","2016","","","","","10.1039/C6RA10869E","","","0.71073","MoKα","","0.03","0.0244","","","0.0544","0.0558","","","","","","1","","","","has coordinates","184454","2020-10-21","18:00:00",""
"7225937","9.8205","0.0015","10.5371","0.0016","11.7288","0.0018","100.895","0.002","111.404","0.002","92.993","0.002","1099.8","0.3","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C15 H19 N8 O10 Sm -","- C15 H19 N8 O10 Sm -","- C30 H38 N16 O20 Sm2 -","2","1","","Du, Ning; Gao, Xue; Song, Jian; Wang, Zhi Nan; Xing, Yong Heng; Bai, Fengying; Shi, Zhan","Optical detection small biomolecule thiamines of micromolar level by highly luminescent lanthanide complexes with tridentate N-heterocyclic ligand","RSC Adv.","2016","","","","","10.1039/C6RA10869E","","","0.71073","MoKα","","0.0315","0.0267","","","0.061","0.0639","","","","","","1.035","","","","has coordinates","184454","2020-10-21","18:00:00",""
"7225938","9.8278","0.0017","10.5328","0.0017","11.7056","0.0019","100.796","0.002","111.442","0.002","93.031","0.002","1098.1","0.3","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C15 H19 Eu N8 O10 -","- C15 H19 Eu N8 O10 -","- C30 H38 Eu2 N16 O20 -","2","1","","Du, Ning; Gao, Xue; Song, Jian; Wang, Zhi Nan; Xing, Yong Heng; Bai, Fengying; Shi, Zhan","Optical detection small biomolecule thiamines of micromolar level by highly luminescent lanthanide complexes with tridentate N-heterocyclic ligand","RSC Adv.","2016","","","","","10.1039/C6RA10869E","","","0.71073","MoKα","","0.0255","0.0225","","","0.054","0.055","","","","","","1.036","","","","has coordinates","184454","2020-10-21","18:00:00",""
"7225939","9.8238","0.0006","10.5226","0.0006","11.6761","0.0007","100.699","0.001","111.474","0.001","92.982","0.001","1094.13","0.11","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C15 H19 Gd N8 O10 -","- C15 H19 Gd N8 O10 -","- C30 H38 Gd2 N16 O20 -","2","1","","Du, Ning; Gao, Xue; Song, Jian; Wang, Zhi Nan; Xing, Yong Heng; Bai, Fengying; Shi, Zhan","Optical detection small biomolecule thiamines of micromolar level by highly luminescent lanthanide complexes with tridentate N-heterocyclic ligand","RSC Adv.","2016","","","","","10.1039/C6RA10869E","","","0.71073","MoKα","","0.0248","0.0205","","","0.0481","0.0491","","","","","","1.034","","","","has coordinates","184454","2020-10-21","18:00:00",""
"7225940","9.837","0.001","10.5202","0.0011","11.6498","0.0012","100.558","0.002","111.491","0.002","92.907","0.002","1093.6","0.2","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C15 H19 N8 O10 Tb -","- C15 H19 N8 O10 Tb -","- C30 H38 N16 O20 Tb2 -","2","1","","Du, Ning; Gao, Xue; Song, Jian; Wang, Zhi Nan; Xing, Yong Heng; Bai, Fengying; Shi, Zhan","Optical detection small biomolecule thiamines of micromolar level by highly luminescent lanthanide complexes with tridentate N-heterocyclic ligand","RSC Adv.","2016","","","","","10.1039/C6RA10869E","","","0.71073","MoKα","","0.024","0.0206","","","0.046","0.0469","","","","","","1.036","","","","has coordinates","184454","2020-10-21","18:00:00",""
"7225941","14.7409","0.0005","15.3429","0.0006","22.1924","0.0008","90","","103.716","0.002","90","","4876.1","0.3","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C84 H78 N16 O26 Zn6 -","- C72 H42 N12 O22 Zn6 -","- C144 H84 N24 O44 Zn12 -","2","1","","Meng, Pan Pan; Dang, Li Long; Zhang, Xiao Jing; Ma, Lu Fang; Li, Jian Qiang; Gong, Le Le; Zhang, Le; Meng, Li Na; Luo, Feng","A novel MOF showing a ring-like planar Zn6cluster and the coexistence of a single, double, and triple wall","CrystEngComm","2016","18","34","6336","","10.1039/C6CE01007E","","","0.71073","MoKα","","0.0803","0.0641","","","0.176","0.1827","","","","","","1.026","","","","has coordinates","186357","2020-10-21","18:00:00",""
"7225942","22.7475","0.0015","11.3014","0.0007","27.0251","0.0016","90","","104.181","0.006","90","","6735.9","0.7","120.02","0.16","120.02","0.16","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C16 H13 Br Cl F3 N2 -","- C16 H13 Br Cl F3 N2 -","- C256 H208 Br16 Cl16 F48 N32 -","16","2","","Chapman, Michael R.; Kwan, Maria H. T.; King, Georgina E.; Kyffin, Benjamin A.; Blacker, A. John; Willans, Charlotte E.; Nguyen, Bao N.","Rapid, metal-free and aqueous synthesis of imidazo[1,2-a]pyridine under ambient conditions","Green Chem.","2016","18","17","4623","","10.1039/C6GC01601D","","x-ray","0.71073","MoKα","","0.1118","0.066","","","0.1191","0.1368","","","","","","1.04","","","","has coordinates,has disorder","186448","2020-10-21","18:00:00",""
"7225943","16.4865","0.0009","10.7791","0.0005","13.0845","0.0008","90","","110.686","0.006","90","","2175.3","0.2","120","0.13","120","0.13","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C9 H10 Br I N2 -","- C9 H10 Br I N2 -","- C72 H80 Br8 I8 N16 -","8","1","","Chapman, Michael R.; Kwan, Maria H. T.; King, Georgina E.; Kyffin, Benjamin A.; Blacker, A. John; Willans, Charlotte E.; Nguyen, Bao N.","Rapid, metal-free and aqueous synthesis of imidazo[1,2-a]pyridine under ambient conditions","Green Chem.","2016","18","17","4623","","10.1039/C6GC01601D","","x-ray","0.71073","MoKα","","0.0588","0.0432","","","0.0761","0.0819","","","","","","1.072","","","","has coordinates","186448","2020-10-21","18:00:00",""
"7225944","16.7925","0.0007","8.3062","0.0004","15.0809","0.0007","90","","108.294","0.005","90","","1997.2","0.17","120.01","0.1","120.01","0.1","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C9 H11 Br N2 -","- C9 H11 Br N2 -","- C72 H88 Br8 N16 -","8","1","","Chapman, Michael R.; Kwan, Maria H. T.; King, Georgina E.; Kyffin, Benjamin A.; Blacker, A. John; Willans, Charlotte E.; Nguyen, Bao N.","Rapid, metal-free and aqueous synthesis of imidazo[1,2-a]pyridine under ambient conditions","Green Chem.","2016","18","17","4623","","10.1039/C6GC01601D","","","0.71073","MoKα","","0.0623","0.0442","","","0.0869","0.0961","","","","","","1.071","","","","has coordinates","186448","2020-10-21","18:00:00",""
"7225945","7.4282","0.0007","14.952","0.0014","8.9188","0.0007","90","","94.547","0.009","90","","987.46","0.15","120.01","0.1","120.01","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C9 H11 Br N2 -","- C9 H11 Br N2 -","- C36 H44 Br4 N8 -","4","1","","Chapman, Michael R.; Kwan, Maria H. T.; King, Georgina E.; Kyffin, Benjamin A.; Blacker, A. John; Willans, Charlotte E.; Nguyen, Bao N.","Rapid, metal-free and aqueous synthesis of imidazo[1,2-a]pyridine under ambient conditions","Green Chem.","2016","18","17","4623","","10.1039/C6GC01601D","","x-ray","1.54184","CuKα","","0.0849","0.0686","","","0.174","0.1896","","","","","","1.086","","","","has coordinates","186448","2020-10-21","18:00:00",""
"7225946","3.9883","0.0006","17.853","0.002","11.2011","0.0012","90","","91.622","0.011","90","","797.23","0.17","120.01","0.16","120.01","0.16","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C8 H7 Br N2 -","- C8 H7 Br N2 -","- C32 H28 Br4 N8 -","4","1","","Chapman, Michael R.; Kwan, Maria H. T.; King, Georgina E.; Kyffin, Benjamin A.; Blacker, A. John; Willans, Charlotte E.; Nguyen, Bao N.","Rapid, metal-free and aqueous synthesis of imidazo[1,2-a]pyridine under ambient conditions","Green Chem.","2016","18","17","4623","","10.1039/C6GC01601D","","x-ray","1.54184","CuKα","","0.0797","0.0667","","","0.173","0.1847","","","","","","1.06","","","","has coordinates","186448","2020-10-21","18:00:00",""
"7225947","6.0553","0.0004","14.8323","0.001","12.439","0.001","90","","103.295","0.008","90","","1087.25","0.14","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C8 H8 Br I N2 -","- C8 H8 Br I N2 -","- C32 H32 Br4 I4 N8 -","4","1","","Chapman, Michael R.; Kwan, Maria H. T.; King, Georgina E.; Kyffin, Benjamin A.; Blacker, A. John; Willans, Charlotte E.; Nguyen, Bao N.","Rapid, metal-free and aqueous synthesis of imidazo[1,2-a]pyridine under ambient conditions","Green Chem.","2016","18","17","4623","","10.1039/C6GC01601D","","x-ray","0.71073","MoKα","","0.0602","0.0401","","","0.0692","0.0781","","","","","","1.03","","","","has coordinates","186448","2020-10-21","18:00:00",""
"7225948","11.0563","0.0012","11.1805","0.0012","12.0711","0.0012","98.874","0.009","103.353","0.009","103.781","0.009","1375","0.3","120","0.11","120","0.11","","","","","","","","6","P -1","-P 1","2","","","","- C12 H11 Br Cl F3 N2 -","- C12 H11 Br Cl F3 N2 -","- C48 H44 Br4 Cl4 F12 N8 -","4","2","","Chapman, Michael R.; Kwan, Maria H. T.; King, Georgina E.; Kyffin, Benjamin A.; Blacker, A. John; Willans, Charlotte E.; Nguyen, Bao N.","Rapid, metal-free and aqueous synthesis of imidazo[1,2-a]pyridine under ambient conditions","Green Chem.","2016","18","17","4623","","10.1039/C6GC01601D","","x-ray","0.71073","MoKα","","0.1488","0.0758","","","0.1163","0.15","","","","","","1.025","","","","has coordinates","186448","2020-10-21","18:00:00",""
"7225949","12.0869","0.0014","8.1608","0.001","19.776","0.003","90","","102.192","0.012","90","","1906.7","0.4","120.01","0.15","120.01","0.15","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C9 H6 Cl F3 N2 -","- C9 H6 Cl F3 N2 -","- C72 H48 Cl8 F24 N16 -","8","1","","Chapman, Michael R.; Kwan, Maria H. T.; King, Georgina E.; Kyffin, Benjamin A.; Blacker, A. John; Willans, Charlotte E.; Nguyen, Bao N.","Rapid, metal-free and aqueous synthesis of imidazo[1,2-a]pyridine under ambient conditions","Green Chem.","2016","18","17","4623","","10.1039/C6GC01601D","","x-ray","0.71073","MoKα","","0.1075","0.0707","","","0.1274","0.1426","","","","","","1.091","","","","has coordinates","186448","2020-10-21","18:00:00",""
"7225950","24.304","0.002","24.304","0.002","6.8579","0.0005","90","","90","","120","","3508.1","0.5","119.99","0.14","119.99","0.14","","","","","","","","4","R -3","-R 3","148","","","","- C8 H7 N3 O2 -","- C8 H7 N3 O2 -","- C144 H126 N54 O36 -","18","","","Chapman, Michael R.; Kwan, Maria H. T.; King, Georgina E.; Kyffin, Benjamin A.; Blacker, A. John; Willans, Charlotte E.; Nguyen, Bao N.","Rapid, metal-free and aqueous synthesis of imidazo[1,2-a]pyridine under ambient conditions","Green Chem.","2016","18","17","4623","","10.1039/C6GC01601D","","x-ray","0.71073","MoKα","","0.0713","0.052","","","0.1218","0.1324","","","","","","1.074","","","","has coordinates","186448","2020-10-21","18:00:00",""
"7225951","14.2","0.008","19.44","0.008","13.057","0.006","90","","121.1","0.04","90","","3086","3","296","2","296","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C18 H12 N5 -","- C18 H12 N5 -","- C144 H96 N40 -","8","1","","Garimella, Chandramouli; Lingala, Suresh; Peddakotla, Sagar Vijay Kumar; Vinodkumar, Thallada","Heterogeneous recyclable nano-CeO2 catalyst: Efficient and eco-friendly synthesis of novel fused triazolo and tetrazolo pyrimidine derivatives in aqueous medium","RSC Adv.","2016","","","","","10.1039/C6RA16307F","","","0.71073","MoKα","","0.1185","0.0721","","","0.1932","0.2388","","","","","","1.026","","","","has coordinates","184480","2020-10-21","18:00:00",""
"7225952","8.4198","0.0017","9.673","0.0019","11.146","0.002","113.95","0.03","96.34","0.03","106","0.03","771.5","0.4","113","2","113","2","","","","","","","","4","P -1","-P 1","2","","","","- C20 H19 N O -","- C20 H19 N O -","- C40 H38 N2 O2 -","2","1","","Hu, Fangzhong; Yang, Xiaobing; Wang, Yang; Kan, Xiaoli; Yang, Chi Ming; Liu, Jiahui; Liu, Pei; Zhang, qichun","Base-promoted intramolecular cyclization of N-alkyl, N-propargylic β-enaminones for the synthesis of polysubstituted pyrroles","RSC Adv.","2016","","","","","10.1039/C6RA14897B","","","0.71073","MoKα","","0.0539","0.0378","","","0.0943","0.1021","","","","","","1.062","","","","has coordinates","184481","2020-10-21","18:00:00",""
"7225953","14.067","0.003","17.217","0.003","18.001","0.004","90","","90","","90","","4359.7","1.5","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C23 H25 N2 O5 P -","- C23 H25 N2 O5 P -","- C184 H200 N16 O40 P8 -","8","1","","Cai, Yan; Li, Yuming; Zhang, Minxuan; Fu, Jiaxin; Miao, Zhiwei","Regioselective BF3·Et2O-catalyzed C-H Functionalization of Indoles and Pyrrole with Reaction of α-Diazophosphonates","RSC Adv.","2016","","","","","10.1039/C6RA15329A","","","0.71073","MoKα","","0.1314","0.0992","","","0.2308","0.2509","","","","","","1.025","","","","has coordinates,has disorder","184495","2020-10-21","18:00:00",""
"7225954","12.744","0.003","7.7256","0.0015","20.77","0.004","90","","109.09","0.03","90","","1932.5","0.8","113","2","113","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H23 N2 O5 P -","- C19 H23 N2 O5 P -","- C76 H92 N8 O20 P4 -","4","1","","Cai, Yan; Li, Yuming; Zhang, Minxuan; Fu, Jiaxin; Miao, Zhiwei","Regioselective BF3·Et2O-catalyzed C-H Functionalization of Indoles and Pyrrole with Reaction of α-Diazophosphonates","RSC Adv.","2016","","","","","10.1039/C6RA15329A","","","0.71073","MoKα","","0.2171","0.1972","","","0.5345","0.5409","","","","","","1.878","","","","has coordinates","184495","2020-10-21","18:00:00",""
"7225955","7.5691","0.0009","8.3593","0.001","10.1479","0.0012","83.336","0.002","88.008","0.002","67.085","0.001","587.38","0.12","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H7 N3 O2 S -","- C14 H7 N3 O2 S -","- C28 H14 N6 O4 S2 -","2","1","","Maji, Rajkishor; Mahapatra, Ajit Kumar; Maiti, Kalipada; Mondal, Sanchita; Ali, Syed Samim; Sahoo, Prithidipa; Mandal, Sukhendu; Uddin, Md. Raihan; Goswami, Shyamaprosad; Quah, Ching Kheng; Fun, Hoong- Kun","A highly sensitive fluorescent probe for detection of hydrazine in gas and solution phase based on the Gabriel mechanism and its bioimaging","RSC Adv.","2016","","","","","10.1039/C6RA14212E","","","0.71073","MoKα","","0.042","0.0371","","","0.0923","0.096","","","","","","1.059","","","","has coordinates","184496","2020-10-21","18:00:00",""
"7225956","14.204","0.003","15.184","0.003","17.459","0.004","113.56","0.01","108.085","0.015","94.308","0.012","3194.2","1.3","123","2","123","2","","","","","","","","5","P -1","-P 1","2","","","","- C66 H32 F21 O7 Yb -","- C66 H32 F21 O7 Yb -","- C132 H64 F42 O14 Yb2 -","2","1","","Reddy, M. L. P. Lakshmipathy; GEORGE, T M; Varughese, Sunil","Near-infrared luminescence of Nd3+and Yb3+complexes using a polyfluorinated pyrene-based β-diketonate ligand","RSC Adv.","2016","","","","","10.1039/C6RA12220E","","","0.71073","MoKα","","0.0677","0.0606","","","0.1638","0.1696","","","","","","1.178","","","","has coordinates","184510","2020-10-21","18:00:00",""
"7225957","12.9498","0.0004","8.2018","0.0003","16.5817","0.0005","90","","97.327","0.003","90","","1746.79","0.1","223","2","223","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C9 H8 Br N O -","- C9 H8 Br N O -","- C72 H64 Br8 N8 O8 -","8","2","","Xu, Xinfang; Wang, Xiangbo; Dong, Kuiyong; Yan, Bin; Zhang, Cheng; Qiu, Lihua","NBS-Mediated dinitrogen extrusion of diazoacetamides under catalyst-free conditions: a practical access to the 3-bromooxindole derivatives","RSC Adv.","2016","","","","","10.1039/C6RA16868J","","","0.71073","MoKα","","0.0538","0.0369","","","0.0799","0.0852","","","","","","1.039","","","","has coordinates","184511","2020-10-21","18:00:00",""
"7225958","6.0705","0.0005","23.4961","0.0019","21.2512","0.0017","90","","93.446","0.001","90","","3025.6","0.4","273","2","273.15","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C41 H32 N2 -","- C41 H32 N2 -","- C164 H128 N8 -","4","1","","Zhang, Ying; Wang, Jun-Hao; Han, Gaoyi; Lu, Feng; Tong, Qing-Xiao","Phenanthroimidazole derivatives as emitters for non-doped deep-blue organic light emitting devices","RSC Adv.","2016","","","","","10.1039/C6RA13605B","","","0.71073","MoKα","","0.0615","0.046","","","0.1326","0.1472","","","","","","1.061","","","","has coordinates","184512","2020-10-21","18:00:00",""
"7225959","10.2626","0.0005","11.9048","0.0006","12.571","0.0006","80.905","0.001","88.592","0.001","81.832","0.001","1501.15","0.13","297","2","296.74","","","","","","","","","3","P -1","-P 1","2","","","","- C41 H32 N2 -","- C41 H32 N2 -","- C82 H64 N4 -","2","1","","Zhang, Ying; Wang, Jun-Hao; Han, Gaoyi; Lu, Feng; Tong, Qing-Xiao","Phenanthroimidazole derivatives as emitters for non-doped deep-blue organic light emitting devices","RSC Adv.","2016","","","","","10.1039/C6RA13605B","","","0.71073","MoKα","","0.1053","0.0626","","","0.1914","0.23","","","","","","1.003","","","","has coordinates","184512","2020-10-21","18:00:00",""
"7225960","9.1648","0.0006","11.4806","0.0006","12.7298","0.0006","95.203","0.004","97.22","0.005","102.374","0.005","1288.31","0.13","287.7","0.2","287.7","0.2","","","","","","","","3","P -1","-P 1","2","","","","- C35 H28 N2 -","- C35 H28 N2 -","- C70 H56 N4 -","2","1","","Zhang, Ying; Wang, Jun-Hao; Han, Gaoyi; Lu, Feng; Tong, Qing-Xiao","Phenanthroimidazole derivatives as emitters for non-doped deep-blue organic light emitting devices","RSC Adv.","2016","","","","","10.1039/C6RA13605B","","x-ray","0.71073","MoKα","","0.0651","0.0487","","","0.1436","0.1582","","","","","","1.07","","","","has coordinates","184512","2020-10-21","18:00:00",""
"7225961","9.3542","0.0018","9.5893","0.0018","19.621","0.004","90.186","0.003","96.123","0.002","111.258","0.002","1629.2","0.6","125","2","125","2","","","","","","","","4","P -1","-P 1","2","","","","- C67 H100 Al2 N6 -","- C67 H100 Al2 N6 -","- C67 H100 Al2 N6 -","1","0.5","","Todd, Angela D.K.; McClennan, William L.; Masuda, Jason Douglas","Organoaluminum(III) complexes of the bis-N,N’-(2,6-diisopropylphenyl)imidazolin-2-imine ligand","RSC Adv.","2016","","","","","10.1039/C6RA15507C","","","0.71073","MoKα","","0.0697","0.0536","","","0.1424","0.1544","","","","","","1.148","","","","has coordinates","184513","2020-10-21","18:00:00",""
"7225962","12.6935","0.0015","16.0668","0.0019","19.437","0.002","90","","102.198","0.001","90","","3874.6","0.8","125","2","125","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C66 H91 Al F12 N6 O14 S4 -","- C66 H91 Al F12 N6 O14 S4 -","- C132 H182 Al2 F24 N12 O28 S8 -","2","1","","Todd, Angela D.K.; McClennan, William L.; Masuda, Jason Douglas","Organoaluminum(III) complexes of the bis-N,N’-(2,6-diisopropylphenyl)imidazolin-2-imine ligand","RSC Adv.","2016","","","","","10.1039/C6RA15507C","","","0.71073","MoKα","","0.058","0.0457","","","0.1063","0.1136","","","","","","1.023","","","","has coordinates,has disorder","184513","2020-10-21","18:00:00",""
"7225963","22.0069","0.0019","11.7183","0.001","20.0358","0.0017","90","","99.446","0.001","90","","5096.8","0.8","125","2","125","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C55 H75 Al N6 -","- C55 H75 Al N6 -","- C220 H300 Al4 N24 -","4","1","","Todd, Angela D.K.; McClennan, William L.; Masuda, Jason Douglas","Organoaluminum(III) complexes of the bis-N,N’-(2,6-diisopropylphenyl)imidazolin-2-imine ligand","RSC Adv.","2016","","","","","10.1039/C6RA15507C","","","0.71073","MoKα","","0.0566","0.0418","","","0.0996","0.1083","","","","","","1.024","","","","has coordinates","184513","2020-10-21","18:00:00",""
"7225964","10.5014","0.0008","14.0346","0.001","20.5119","0.0015","90","","90","","90","","3023.1","0.4","125","2","125","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C28 H38 F3 N3 O3 S -","- C28 H38 F3 N3 O3 S -","- C112 H152 F12 N12 O12 S4 -","4","1","","Todd, Angela D.K.; McClennan, William L.; Masuda, Jason Douglas","Organoaluminum(III) complexes of the bis-N,N’-(2,6-diisopropylphenyl)imidazolin-2-imine ligand","RSC Adv.","2016","","","","","10.1039/C6RA15507C","","","0.71073","MoKα","","0.0399","0.0343","","","0.0763","0.0798","","","","","","1.032","","","","has coordinates,has disorder","184513","2020-10-21","18:00:00",""
"7225965","12.9094","0.001","18.683","0.0014","21.6167","0.0016","90","","90.05","0.001","90","","5213.7","0.7","125","2","125","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C56 H79 Al N6 -","- C56 H79 Al N6 -","- C224 H316 Al4 N24 -","4","1","","Todd, Angela D.K.; McClennan, William L.; Masuda, Jason Douglas","Organoaluminum(III) complexes of the bis-N,N’-(2,6-diisopropylphenyl)imidazolin-2-imine ligand","RSC Adv.","2016","","","","","10.1039/C6RA15507C","","","0.71073","MoKα","","0.0945","0.049","","","0.0998","0.1207","","","","","","1.009","","","","has coordinates","184513","2020-10-21","18:00:00",""
"7225966","12.064","0.002","22.957","0.004","24.196","0.004","62.143","0.002","75.811","0.002","89.463","0.002","5700.5","1.7","125","2","125","2","","","","","","","","4","P -1","-P 1","2","","","","- C58 H84 Al2 N6 -","- C58 H84 Al2 N6 -","- C232 H336 Al8 N24 -","4","2","","Todd, Angela D.K.; McClennan, William L.; Masuda, Jason Douglas","Organoaluminum(III) complexes of the bis-N,N’-(2,6-diisopropylphenyl)imidazolin-2-imine ligand","RSC Adv.","2016","","","","","10.1039/C6RA15507C","","","0.71073","MoKα","","0.0917","0.0641","","","0.1718","0.1927","","","","","","1.112","","","","has coordinates","184513","2020-10-21","18:00:00",""
"7225967","11.7033","0.0009","12.5536","0.0011","13.3565","0.0013","83.73","0.002","77.379","0.001","74.224","0.001","1840.2","0.3","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C36 H24 Cl6 Eu N3 O8 -","- C36 H24 Cl6 Eu N3 O8 -","- C72 H48 Cl12 Eu2 N6 O16 -","2","1","","Wang, Ye; Shen, pan-pan; Ren, Ning; Zhang, Jian-Jun; geng, lina; Wang, Shu-Ping; Shi, Shikao","A series of lanthanide complexes with different N-donor ligands: Synthesis, structures, thermal properties and luminescent behavior","RSC Adv.","2016","","","","","10.1039/C6RA11393A","","","0.71073","MoKα","","0.1647","0.0895","","","0.2078","0.2428","","","","","","1.076","","","","has coordinates","184514","2020-10-21","18:00:00",""
"7225968","10.1571","0.0008","13.073","0.0011","15.5692","0.0013","79.315","0.002","72.115","0.001","79.624","0.002","1916.5","0.3","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C70 H54 Cl12 N4 O14 Tb2 -","- C70 H54 Cl12 N4 O14 Tb2 -","- C70 H54 Cl12 N4 O14 Tb2 -","1","0.5","","Wang, Ye; Shen, pan-pan; Ren, Ning; Zhang, Jian-Jun; geng, lina; Wang, Shu-Ping; Shi, Shikao","A series of lanthanide complexes with different N-donor ligands: Synthesis, structures, thermal properties and luminescent behavior","RSC Adv.","2016","","","","","10.1039/C6RA11393A","","","0.71073","MoKα","","0.0801","0.052","","","0.0787","0.0843","","","","","","1.007","","","","has coordinates","184514","2020-10-21","18:00:00",""
"7225969","11.1823","0.0006","26.5152","0.0014","11.5015","0.0006","90","","114.459","0.001","90","","3104.2","0.3","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C31 H40 N2 O3 S2 -","- C31 H40 N2 O3 S2 -","- C124 H160 N8 O12 S8 -","4","1","","Cao, Deng-Ke; Gao, Tao-Bao; Gong, Dan-Ping; Ward, Michael D.","Bisthienylethenes containing imidazole bridge unit and their Ir(III) complexes: influences of substituent groups on photochromism and luminescence","RSC Adv.","2016","","","","","10.1039/C6RA14555H","","","0.71073","MoKα","","0.078","0.0597","","","0.2039","0.2209","","","","","","1.027","","","","has coordinates","184515","2020-10-21","18:00:00",""
"7225970","12.9987","0.0016","13.2108","0.0016","17.001","0.002","69.213","0.002","69.523","0.002","73.873","0.002","2517.3","0.5","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C53 H55 F4 Ir N4 O3 S2 -","- C53 H55 F4 Ir N4 O3 S2 -","- C106 H110 F8 Ir2 N8 O6 S4 -","2","1","","Cao, Deng-Ke; Gao, Tao-Bao; Gong, Dan-Ping; Ward, Michael D.","Bisthienylethenes containing imidazole bridge unit and their Ir(III) complexes: influences of substituent groups on photochromism and luminescence","RSC Adv.","2016","","","","","10.1039/C6RA14555H","","","0.71073","MoKα","","0.0747","0.0461","","","0.0832","0.0894","","","","","","1.025","","","","has coordinates,has disorder","184515","2020-10-21","18:00:00",""
"7225971","12.0096","0.0005","12.6429","0.0005","19.2406","0.0008","81.34","0.002","86.3","0.002","64.743","0.002","2612.02","0.19","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C53 H40 Cl3 N5 O10 P2 Ru -","- C53 H40 Cl3 N5 O10 P2 Ru -","- C106 H80 Cl6 N10 O20 P4 Ru2 -","2","1","","Ghosh, Kaushik; Kumar, Rajan; Kumar, Sushil; Bala, Manju; Ratnam, Anand; Singh, Udai P.","Site-specific orthometallation via C‒H bond activation and syntheses of ruthenium (III) organometallics: Studies on nitric oxide (NO) reactivity and photorelease of coordinated NO","RSC Adv.","2016","","","","","10.1039/C6RA17223G","","","0.71073","MoKα","","0.0567","0.0456","","","0.1458","0.1631","","","","","","1.211","","","","has coordinates","184516","2020-10-21","18:00:00",""
"7225972","8.1989","0.0016","12.206","0.002","10.024","0.002","90","","102.81","0.03","90","","978.2","0.3","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C6 H8 N9 O0 Zn -","- C6 H8 N9 Zn -","- C24 H32 N36 Zn4 -","4","1","","Wang, Duo-Zhi; Fan, Jian-Zhong; Jia, Dianzeng; Du, Ceng-Ceng","Zinc and cadmium complexes based on bis-(1H-tetrazol-5-ylmethyl/ylethyl)-amine ligands: structures and photoluminescence properties","CrystEngComm","2016","18","35","6708","","10.1039/C6CE01311B","","","0.71073","MoKα","","0.0695","0.0629","","","0.1848","0.1964","","","","","","1.109","","","","has coordinates","186344","2020-10-21","18:00:00",""
"7225973","27.148","0.004","27.148","0.004","9.957","0.003","90","","90","","120","","6355","2","296","2","296","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C8 H10 Cd3 Cl2 N18 -","- C8 H10 Cd3 Cl2 N18 -","- C72 H90 Cd27 Cl18 N162 -","9","0.5","","Wang, Duo-Zhi; Fan, Jian-Zhong; Jia, Dianzeng; Du, Ceng-Ceng","Zinc and cadmium complexes based on bis-(1H-tetrazol-5-ylmethyl/ylethyl)-amine ligands: structures and photoluminescence properties","CrystEngComm","2016","18","35","6708","","10.1039/C6CE01311B","","","0.71073","MoKα","","0.0238","0.0211","","","0.0553","0.0569","","","","","","1.07","","","","has coordinates","186344","2020-10-21","18:00:00",""
"7225974","7.7738","0.0005","14.0313","0.0009","10.2395","0.0007","90","","100.987","0.002","90","","1096.42","0.12","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C8 H22 Mn2 N18 O6 -","- C8 H22 Mn2 N18 O6 -","- C16 H44 Mn4 N36 O12 -","2","0.5","","Wang, Duo-Zhi; Fan, Jian-Zhong; Jia, Dianzeng; Du, Ceng-Ceng","Zinc and cadmium complexes based on bis-(1H-tetrazol-5-ylmethyl/ylethyl)-amine ligands: structures and photoluminescence properties","CrystEngComm","2016","18","35","6708","","10.1039/C6CE01311B","","","0.71073","MoKα","","0.0402","0.0326","","","0.0777","0.0821","","","","","","1.049","","","","has coordinates","186344","2020-10-21","18:00:00",""
"7225975","7.776","0.004","13.987","0.006","8.352","0.004","90","","101.601","0.011","90","","889.8","0.7","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C4 H5 N9 Zn -","- C4 H5 N9 Zn -","- C16 H20 N36 Zn4 -","4","1","","Wang, Duo-Zhi; Fan, Jian-Zhong; Jia, Dianzeng; Du, Ceng-Ceng","Zinc and cadmium complexes based on bis-(1H-tetrazol-5-ylmethyl/ylethyl)-amine ligands: structures and photoluminescence properties","CrystEngComm","2016","18","35","6708","","10.1039/C6CE01311B","","","0.71073","MoKα","","0.0721","0.0488","","","0.1113","0.119","","","","","","0.986","","","","has coordinates","186344","2020-10-21","18:00:00",""
"7225976","7.7937","0.0006","14.2172","0.0012","10.3075","0.0008","90","","100.571","0.002","90","","1122.73","0.16","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C8 H22 Cd2 N18 O6 -","- C8 H22 Cd2 N18 O6 -","- C16 H44 Cd4 N36 O12 -","2","0.5","","Wang, Duo-Zhi; Fan, Jian-Zhong; Jia, Dianzeng; Du, Ceng-Ceng","Zinc and cadmium complexes based on bis-(1H-tetrazol-5-ylmethyl/ylethyl)-amine ligands: structures and photoluminescence properties","CrystEngComm","2016","18","35","6708","","10.1039/C6CE01311B","","","0.71073","MoKα","","0.0283","0.0243","","","0.0605","0.0629","","","","","","1.05","","","","has coordinates","186344","2020-10-21","18:00:00",""
"7225977","21.6492","0.0007","9.9528","0.0003","8.4146","0.0003","90","","105.597","0.001","90","","1746.33","0.1","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C8 H12 Cd2 N18 O -","- C8 H12 Cd2 N18 O -","- C32 H48 Cd8 N72 O4 -","4","0.5","","Wang, Duo-Zhi; Fan, Jian-Zhong; Jia, Dianzeng; Du, Ceng-Ceng","Zinc and cadmium complexes based on bis-(1H-tetrazol-5-ylmethyl/ylethyl)-amine ligands: structures and photoluminescence properties","CrystEngComm","2016","18","35","6708","","10.1039/C6CE01311B","","","0.71073","MoKα","","0.0227","0.0222","","","0.0639","0.0644","","","","","","1.071","","","","has coordinates","186344","2020-10-21","18:00:00",""
"7225978","6.8924","0.0003","10.06","0.0004","19.7902","0.0008","90","","90","","90","","1372.2","0.1","296","2","296","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C6 H8 Cl N12 Zn2 -","- C6 H8 Cl N12 Zn2 -","- C24 H32 Cl4 N48 Zn8 -","4","0.5","","Wang, Duo-Zhi; Fan, Jian-Zhong; Jia, Dianzeng; Du, Ceng-Ceng","Zinc and cadmium complexes based on bis-(1H-tetrazol-5-ylmethyl/ylethyl)-amine ligands: structures and photoluminescence properties","CrystEngComm","2016","18","35","6708","","10.1039/C6CE01311B","","","0.71073","MoKα","","0.0354","0.0294","","","0.0757","0.0792","","","","","","1.043","","","","has coordinates,has disorder","186344","2020-10-21","18:00:00",""
"7225979","13.4767","0.0015","7.5845","0.0009","12.9148","0.0014","90","","99.542","0.002","90","","1301.8","0.3","296","2","296","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C6 H15 Cd N9 O3 -","- C6 H15 Cd N9 O3 -","- C24 H60 Cd4 N36 O12 -","4","1","","Wang, Duo-Zhi; Fan, Jian-Zhong; Jia, Dianzeng; Du, Ceng-Ceng","Zinc and cadmium complexes based on bis-(1H-tetrazol-5-ylmethyl/ylethyl)-amine ligands: structures and photoluminescence properties","CrystEngComm","2016","18","35","6708","","10.1039/C6CE01311B","","","0.71073","MoKα","","0.0182","0.0181","","","0.0479","0.048","","","","","","1.184","","","","has coordinates","186344","2020-10-21","18:00:00",""
"7225980","10.6856","0.0006","7.3274","0.0004","18.8986","0.0011","90","","105.776","0.001","90","","1423.98","0.14","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C6 H12 Cd2 N10 O5 -","- C6 H12 Cd2 N10 O5 -","- C24 H48 Cd8 N40 O20 -","4","1","","Wang, Duo-Zhi; Fan, Jian-Zhong; Jia, Dianzeng; Du, Ceng-Ceng","Zinc and cadmium complexes based on bis-(1H-tetrazol-5-ylmethyl/ylethyl)-amine ligands: structures and photoluminescence properties","CrystEngComm","2016","18","35","6708","","10.1039/C6CE01311B","","","0.71073","MoKα","","0.0181","0.0164","","","0.0369","0.0374","","","","","","1.1","","","","has coordinates,has disorder","186344","2020-10-21","18:00:00",""
"7225981","8.0251","0.0004","10.0806","0.0006","12.6959","0.0007","89.821","0.0017","81.4586","0.0015","79.9673","0.0016","999.87","0.1","173","","173","2","","","","","","","","6","P -1","-P 1","2","","(anilinium)(trasn-syn-trans-dicyclohexano[18]crown-6)[Ni(dmit)2]","","- C32 H44 N Ni O6 S10 -","- C32 H43 N Ni O6 S10 -","- C32 H43 N Ni O6 S10 -","1","0.5","","Ohshima, Yu; Kubo, Kazuya; Matsumoto, Takashi; Ye, Heng-Yun; Noro, Shin-ichiro; Akutagawa, Tomoyuki; Nakamura, Takayoshi","One-dimensional supramolecular columnar structure of trans-syn-trans-dicyclohexano[18]crown-6 and organic ammonium cations","CrystEngComm","2016","18","41","7959","","10.1039/C6CE00980H","","","0.71075","MoKα","","0.0458","0.0425","","","0.1068","0.112","","","","","","1.158","","","","has coordinates","188077","2020-10-21","18:00:00",""
"7225982","13.4658","0.0006","19.0314","0.001","24.7402","0.001","77.941","0.006","77.593","0.006","81.569","0.006","6021.1","0.5","173","","173","","","","","","","","","7","P -1","-P 1","2","","(m-fluoroanilinium)(trasn-syn-trans-dicyclohexano[18]crown-6)[Ni(dmit)2]","","- C32 H43 F N Ni O6 S10 -","- C32 H43 F N Ni O6 S10 -","- C192 H258 F6 N6 Ni6 O36 S60 -","6","3","","Ohshima, Yu; Kubo, Kazuya; Matsumoto, Takashi; Ye, Heng-Yun; Noro, Shin-ichiro; Akutagawa, Tomoyuki; Nakamura, Takayoshi","One-dimensional supramolecular columnar structure of trans-syn-trans-dicyclohexano[18]crown-6 and organic ammonium cations","CrystEngComm","2016","18","41","7959","","10.1039/C6CE00980H","","","0.71075","MoKα","","","0.0744","","","","0.2437","","","","","","1.06","","","","has coordinates","188077","2020-10-21","18:00:00",""
"7225983","21.2784","0.0004","17.2413","0.0003","21.3529","0.0003","90","","113.452","0.002","90","","7186.6","0.2","100","1","100","1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C81 H51 Cl9 N6 O6 Pd3 -","- C81 H51 Cl9 N6 O6 Pd3 -","- C324 H204 Cl36 N24 O24 Pd12 -","4","1","","karami, kazem; Mehri lighvan, Zohreh; Alizadeh, A.; Poshteh-Shirani, Marziyeh; Khayamian, Taghi; Lipkowski, Janusz","Synthesis of a novel trinuclear palladium complex: The influence of oxime chelate ligand on biological evaluation towards double-strand DNA, BSA protein and molecular modeling studies","RSC Adv.","2016","","","","","10.1039/C6RA08744B","","","1.54184","CuKα","","0.0863","0.061","","","0.1577","0.1652","","","","","","0.994","","","","has coordinates,has disorder","184553","2020-10-21","18:00:00",""
"7225984","10.671","0.003","11.787","0.003","12.167","0.003","90.26","0.004","94.29","0.005","105.427","0.004","1470.6","0.7","296","2","296","2","","","","","","","","5","P -1","-P 1","2","Subphthalocynaine-Azobenzene-Subphthalocynaine","spc-azo-spc","","- C60 H32 B2 N14 O2 -","- C60 H32 B2 N14 O2 -","- C60 H32 B2 N14 O2 -","1","0.5","","Shi, Maohu; Zhao, Yue; Xu, Hai-Jun; Mack, John; Yin, Luan; Wang, Xiaoyong; Shen, Zhen","Photoisomerization and Optical Properties of Subphthalocyanine-azobenzene-subphthalocyanine Triad","RSC Adv.","2016","","","","","10.1039/C6RA11452K","","","0.71073","MoKα","","0.2085","0.1265","","","0.2664","0.2973","","","","","","1.003","","","","has coordinates","184554","2020-10-21","18:00:00",""
"7225985","11.0804","0.0012","16.393","0.002","16.352","0.002","104.069","0.003","96.006","0.003","94.145","0.002","2850.5","0.6","291","2","291","2","","","","","","","","7","P -1","-P 1","2","","","","- C51 H62 Cl8 Co N6 Ni O -","- C51 H62 Cl8 Co N6 Ni O -","- C102 H124 Cl16 Co2 N12 Ni2 O2 -","2","1","","Zhang, Shu; Xing, Qifeng; Sun, Wen Hua","Frustratingly synergic effect of cobalt-nickel heterometallic precatalysts on ethylene reactivity: The cobalt and its heteronickel complexes bearing 2-methyl-2,4-bis(6-iminopyridin-2-yl)-1H-1,5-benzodiazepines","RSC Adv.","2016","","","","","10.1039/C6RA13048H","","","0.71073","MoKα","","0.0521","0.0448","","","0.152","0.1549","","","","","","1.035","","","","has coordinates","184555","2020-10-21","18:00:00",""
"7225986","29.353","0.0006","29.353","0.0006","16.1124","0.0004","90","","90","","90","","13882.4","0.5","100","2","100","2","","","","","","","","5","I 41/a","-I 4ad","88","","","","- C83 H140 N8 Ni8 O59 -","- C83 H56 N8 Ni8 O59 -","- C332 H224 N32 Ni32 O236 -","4","","","Fondo, Matilde; Doejo, Jesús; García-Deibe, Ana M.; Sanmartín-Matalobos, Jesús; Vicente, Ramón","A Ni8metallacalix[4]arene and a Cu4molecular rhomboid: limiting the nuclearity of carboxysalen-like metal complexes","CrystEngComm","2016","18","35","6673","","10.1039/C6CE01384H","","","0.71073","MoKα","","0.172","0.094","","","0.2893","0.3578","","","","","","1.196","","","","has coordinates,has disorder","186345","2020-10-21","18:00:00",""
"7225987","19.086","0.0016","18.084","0.0017","15.847","0.0015","90","","107.522","0.004","90","","5215.8","0.8","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C43 H56 Cl2 Cu4 N4 O28 -","- C43 H56 Cl2 Cu4 N4 O28 -","- C172 H224 Cl8 Cu16 N16 O112 -","4","0.5","","Fondo, Matilde; Doejo, Jesús; García-Deibe, Ana M.; Sanmartín-Matalobos, Jesús; Vicente, Ramón","A Ni8metallacalix[4]arene and a Cu4molecular rhomboid: limiting the nuclearity of carboxysalen-like metal complexes","CrystEngComm","2016","18","35","6673","","10.1039/C6CE01384H","","","0.71069","MoKα","","0.0959","0.0535","","","0.1205","0.1394","","","","","","1.026","","","","has coordinates,has disorder","198632","2020-10-21","18:00:00",""
"7225988","7.2984","0.0001","16.7188","0.0003","20.5514","0.0003","90","","90","","90","","2507.69","0.07","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C26 H27 Br O2 -","- C26 H27 Br O2 -","- C104 H108 Br4 O8 -","4","1","","Ochoa, María Eugenia; Aguilar-Granda, Andrés; Ramirez-Montes, Pedro I.; Barba, Victor; López, Yliana; Santillan, Rosa; Farfán, Norberto","Designed synthesis of “L” shaped 17-halo-aryl-ethynyl steroids","CrystEngComm","2016","18","36","6830","","10.1039/C6CE01056C","","x-ray","0.71073","MoKα","","0.0668","0.0535","","","0.1376","0.1455","","","","","","1.058","","","","has coordinates","187039","2020-10-21","18:00:00",""
"7225989","7.343","0.0002","17.039","0.0004","20.654","0.005","90","","90","","90","","2584.2","0.6","273","2","273","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C26 H27 I O2 -","- C26 H27 I O2 -","- C104 H108 I4 O8 -","4","1","","Ochoa, María Eugenia; Aguilar-Granda, Andrés; Ramirez-Montes, Pedro I.; Barba, Victor; López, Yliana; Santillan, Rosa; Farfán, Norberto","Designed synthesis of “L” shaped 17-halo-aryl-ethynyl steroids","CrystEngComm","2016","18","36","6830","","10.1039/C6CE01056C","","x-ray","0.71073","MoKα","","0.0676","0.0506","","","0.1275","0.1393","","","","","","1.038","","","","has coordinates","187039","2020-10-21","18:00:00",""
"7225990","6.4755","0.0002","16.0635","0.0003","22.8738","0.0003","90","","90","","90","","2379.31","0.09","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C27 H31 I O2 -","- C27 H31 I O2 -","- C108 H124 I4 O8 -","4","1","","Ochoa, María Eugenia; Aguilar-Granda, Andrés; Ramirez-Montes, Pedro I.; Barba, Victor; López, Yliana; Santillan, Rosa; Farfán, Norberto","Designed synthesis of “L” shaped 17-halo-aryl-ethynyl steroids","CrystEngComm","2016","18","36","6830","","10.1039/C6CE01056C","","x-ray","0.71073","MoKα","","0.0503","0.0419","","","0.1029","0.1079","","","","","","1.038","","","","has coordinates","187039","2020-10-21","18:00:00",""
"7225991","6.396","","16.289","","22.678","","90","","90","","90","","2362.7","","293","2","293","2","","","","","","","synthesis as described","6","P 21 21 21","P 2ac 2ab","19","","","","- C27 H30 Br Ca0 F O2 -","- C27 H30 Br F O2 -","- C108 H120 Br4 F4 O8 -","4","1","","Ochoa, María Eugenia; Aguilar-Granda, Andrés; Ramirez-Montes, Pedro I.; Barba, Victor; López, Yliana; Santillan, Rosa; Farfán, Norberto","Designed synthesis of “L” shaped 17-halo-aryl-ethynyl steroids","CrystEngComm","2016","18","36","6830","","10.1039/C6CE01056C","","x-ray","0.71073","MoKα","","0.096","0.0667","","","0.1679","0.1897","","","","","","1.03","","","","has coordinates","187039","2020-10-21","18:00:00",""
"7225992","7.3624","0.0001","16.7118","0.0003","20.7142","0.0004","90","","90","","90","","2548.65","0.08","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C26 H25 Br F2 O2 -","- C26 H25 Br F2 O2 -","- C104 H100 Br4 F8 O8 -","4","1","","Ochoa, María Eugenia; Aguilar-Granda, Andrés; Ramirez-Montes, Pedro I.; Barba, Victor; López, Yliana; Santillan, Rosa; Farfán, Norberto","Designed synthesis of “L” shaped 17-halo-aryl-ethynyl steroids","CrystEngComm","2016","18","36","6830","","10.1039/C6CE01056C","","x-ray","0.71073","MoKα","","0.053","0.0435","","","0.1105","0.1156","","","","","","1.056","","","","has coordinates,has disorder","187039","2020-10-21","18:00:00",""
"7225993","7.2612","0.0003","15.8845","0.0006","19.4007","0.0004","90","","90","","90","","2237.69","0.13","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C26 H29 Br F O2 -","- C26 H29 Br F O2 -","- C104 H116 Br4 F4 O8 -","4","1","","Ochoa, María Eugenia; Aguilar-Granda, Andrés; Ramirez-Montes, Pedro I.; Barba, Victor; López, Yliana; Santillan, Rosa; Farfán, Norberto","Designed synthesis of “L” shaped 17-halo-aryl-ethynyl steroids","CrystEngComm","2016","18","36","6830","","10.1039/C6CE01056C","","x-ray","0.71073","MoKα","","0.0996","0.0532","","","0.1216","0.1422","","","","","","1.017","","","","has coordinates","187039","2020-10-21","18:00:00",""
"7225994","20.978","","6.314","","23.951","","90","","106.06","","90","","3048.62","","173","2","173","2","","","","","","","synthesis as described","4","C 1 2 1","C 2y","5","","","","- C35 H47 I O3 -","- C35 H47 I O3 -","- C140 H188 I4 O12 -","4","1","","Ochoa, María Eugenia; Aguilar-Granda, Andrés; Ramirez-Montes, Pedro I.; Barba, Victor; López, Yliana; Santillan, Rosa; Farfán, Norberto","Designed synthesis of “L” shaped 17-halo-aryl-ethynyl steroids","CrystEngComm","2016","18","36","6830","","10.1039/C6CE01056C","","x-ray","0.71073","MoKα","","0.0667","0.0411","","","0.075","0.0846","","","","","","1.051","","","","has coordinates","187039","2020-10-21","18:00:00",""
"7225995","6.3045","0.0001","16.0693","0.0004","22.117","0.0006","90","","90","","90","","2240.65","0.09","293","2","293","2","","","","","","","synthesis as described","4","P 21 21 21","P 2ac 2ab","19","","","","- C26 H29 I O2 -","- C26 H29 I O2 -","- C104 H116 I4 O8 -","4","1","","Ochoa, María Eugenia; Aguilar-Granda, Andrés; Ramirez-Montes, Pedro I.; Barba, Victor; López, Yliana; Santillan, Rosa; Farfán, Norberto","Designed synthesis of “L” shaped 17-halo-aryl-ethynyl steroids","CrystEngComm","2016","18","36","6830","","10.1039/C6CE01056C","","x-ray","0.71073","MoKα","","0.0482","0.0373","","","0.0796","0.0846","","","","","","1.046","","","","has coordinates","187039","2020-10-21","18:00:00",""
"7225996","7.7512","0.0016","14.839","0.003","20.627","0.004","90","","90","","90","","2372.5","0.8","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C28 H28 Br O2 -","- C28 H28 Br O2 -","- C112 H112 Br4 O8 -","4","1","","Ochoa, María Eugenia; Aguilar-Granda, Andrés; Ramirez-Montes, Pedro I.; Barba, Victor; López, Yliana; Santillan, Rosa; Farfán, Norberto","Designed synthesis of “L” shaped 17-halo-aryl-ethynyl steroids","CrystEngComm","2016","18","36","6830","","10.1039/C6CE01056C","","x-ray","0.71073","MoKα","","0.2076","0.124","","","0.3187","0.3645","","","","","","1.034","","","","has coordinates,has disorder","187039","2020-10-21","18:00:00",""
"7225997","6.5925","0.0001","22.2328","0.0006","10.2751","0.0002","90","","100.232","0.001","90","","1482.07","0.05","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C34 H36 Br O3 -","- C34 H36 Br O3 -","- C68 H72 Br2 O6 -","2","1","","Ochoa, María Eugenia; Aguilar-Granda, Andrés; Ramirez-Montes, Pedro I.; Barba, Victor; López, Yliana; Santillan, Rosa; Farfán, Norberto","Designed synthesis of “L” shaped 17-halo-aryl-ethynyl steroids","CrystEngComm","2016","18","36","6830","","10.1039/C6CE01056C","","x-ray","0.71073","MoKα","","0.0552","0.0393","","","0.0845","0.0924","","","","","","1.049","","","","has coordinates","187039","2020-10-21","18:00:00",""
"7225998","6.6335","0.0001","16.6143","0.0004","21.5766","0.0004","90","","90","","90","","2377.98","0.08","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C27 H29 I O2 -","- C27 H29 I O2 -","- C108 H116 I4 O8 -","4","1","","Ochoa, María Eugenia; Aguilar-Granda, Andrés; Ramirez-Montes, Pedro I.; Barba, Victor; López, Yliana; Santillan, Rosa; Farfán, Norberto","Designed synthesis of “L” shaped 17-halo-aryl-ethynyl steroids","CrystEngComm","2016","18","36","6830","","10.1039/C6CE01056C","","x-ray","0.71073","MoKα","","0.093","0.0491","","","0.0942","0.1093","","","","","","1.012","","","","has coordinates","187039","2020-10-21","18:00:00",""
"7225999","7.9321","0.0002","14.7305","0.0003","27.7895","0.0006","90","","90","","90","","3247.03","0.13","295","2","295","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C12 H11 Ce N4 O11 -","- C12 H11 Ce N4 O11 -","- C96 H88 Ce8 N32 O88 -","8","1","","Derakhshandeh, Parviz Gohari; Soleimannejad, Janet; Janczak, Jan; Kaczmarek, Anna M.; Van Hecke, Kristof; Van Deun, Rik","Mechanochemically synthesized crystalline luminescent 2D coordination polymers of La3+and Ce3+, doped with Sm3+, Eu3+, Tb3+, and Dy3+: synthesis, crystal structures and luminescence","CrystEngComm","2016","18","35","6738","","10.1039/C6CE01166G","","","0.71073","MoKα","","0.0388","0.0223","","","0.0402","0.0425","","","","","","1.003","","","","has coordinates","186348","2020-10-21","18:00:00",""
"7226000","7.9559","0.0005","14.7492","0.0008","27.8802","0.0018","90","","90","","90","","3271.6","0.3","295","2","295","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C12 H11 La N4 O11 -","- C12 H11 La N4 O11 -","- C96 H88 La8 N32 O88 -","8","1","","Derakhshandeh, Parviz Gohari; Soleimannejad, Janet; Janczak, Jan; Kaczmarek, Anna M.; Van Hecke, Kristof; Van Deun, Rik","Mechanochemically synthesized crystalline luminescent 2D coordination polymers of La3+and Ce3+, doped with Sm3+, Eu3+, Tb3+, and Dy3+: synthesis, crystal structures and luminescence","CrystEngComm","2016","18","35","6738","","10.1039/C6CE01166G","","","0.71073","MoKα","","0.0579","0.031","","","0.0446","0.0499","","","","","","1.01","","","","has coordinates","186348","2020-10-21","18:00:00",""
"7226001","16.492","0.003","9.8668","0.0016","17.009","0.003","90","","101.909","0.002","90","","2708.2","0.8","125","2","125","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C19 H46 N4 O Si3 Zr -","- C19 H46 N4 O Si3 Zr -","- C76 H184 N16 O4 Si12 Zr4 -","4","1","","Leshinski, Sarah; Wheaton, Craig; Sun, Hongsui; Roering, Andrew J.; Tanski, Joseph M.; Fox, Daniel J.; Hayes, Paul G.; Waterman, Rory","Triamidoamine-Supported Zirconium: Hydrogen Activation, Lewis Acidity, and rac-Lactide Polymerization","RSC Adv.","2016","","","","","10.1039/C6RA15617G","","","0.71073","MoKα","","0.0408","0.0311","","","0.0751","0.0801","","","","","","1.041","","","","has coordinates","184580","2020-10-21","18:00:00",""
"7226002","15.0018","0.0006","11.1825","0.0004","16.9177","0.0007","90","","110.262","0.004","90","","2662.45","0.19","173","0.1","173","0.1","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C37 H33 N3 -","- C37 H33 N3 -","- C148 H132 N12 -","4","1","","Meinhardt, Ute; Lodermeyer, Fabian; Schaub, Tobias A.; Kunzmann, Andreas; Dral, Pavlo O.; Sale, Anna Chiara; Hampel, Frank; Guldi, Dirk M.; Costa, Ruben D.; Kivala, Milan","N-Heterotriangulene chromophores with 4-pyridyl anchors for dye-sensitized solar cells","RSC Adv.","2016","6","71","67372","","10.1039/C6RA14799B","","","1.5418","CuKα","","0.0806","0.053","","","0.1277","0.1517","","","","","","1.056","","","","has coordinates","184581","2020-10-21","18:00:00",""
"7226003","15.6811","0.0014","18.0103","0.0015","23.9667","0.0019","90","","94.594","0.001","90","","6747","1","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C56 H72 Ag4 N8 O21 -","- C56 H72 Ag4 N8 O21 -","- C224 H288 Ag16 N32 O84 -","4","1","","Zhang, Jia; Wang, Chong-Chen; Wang, Peng; Cao, Ya-Li","Selective uptake of organic dyes in a silver-based coordination polymer","RSC Adv.","2016","","","","","10.1039/C6RA13434C","","","0.71073","MoKα","","0.196","0.0698","","","0.1447","0.172","","","","","","1.073","","","","has coordinates,has disorder","184582","2020-10-21","18:00:00",""
"7226004","11.4105","0.0003","17.6824","0.0004","22.7971","0.0006","79.762","0.002","89.224","0.002","74.592","0.002","4361","0.2","173","2","173","2","","","","","","","/","7","P -1","-P 1","2","ZnP","ZnP","","- C84 H122 N4 O17 S Si2 Zn -","- C84 H122 N4 O17 S Si2 Zn -","- C168 H244 N8 O34 S2 Si4 Zn2 -","2","1","","Alam, Md. M.; Bolze, F.; Daniel, C.; Flamigni, L.; Gourlaouen, C.; Heitz, V.; Jenni, S.; Schmitt, J.; Sour, A.; Ventura, B.","π-Extended diketopyrrolopyrrole‒porphyrin arrays: one- and two-photon photophysical investigations and theoretical studies","Phys. Chem. Chem. Phys.","2016","","","","","10.1039/C6CP01844K","","","1.54178","CuKα","","0.074","0.0471","","","0.1076","0.1187","","","","","","1.037","","","","has coordinates","184608","2020-10-21","18:00:00",""
"7226005","9.8293","0.0004","19.0054","0.0006","6.7783","0.0004","90","","90","","90","","1266.25","0.1","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C18.67 H16 O8 -","- C18.6667 H16 O8 -","- C56 H48 O24 -","3","0.75","","Liu, Yayue; Wu, Yingnan; Zhai, Rui; Liu, Zhaoming; Huang, Xishan; She, Zhi-Gang","Altenusin Derivatives from Mangrove Endophytic Fungus Alternaria sp. SK6YW3L","RSC Adv.","2016","","","","","10.1039/C6RA16214B","","","1.54178","CuKα","","0.0597","0.0544","","","0.1511","0.1578","","","","","","1.051","","","","has coordinates,has disorder","184609","2020-10-21","18:00:00",""
"7226006","9.2401","0.0003","12.8808","0.0005","10.0633","0.0003","90","","93.788","0.003","90","","1195.12","0.07","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C14 H12 O6 -","- C14 H12 O6 -","- C56 H48 O24 -","4","1","","Liu, Yayue; Wu, Yingnan; Zhai, Rui; Liu, Zhaoming; Huang, Xishan; She, Zhi-Gang","Altenusin Derivatives from Mangrove Endophytic Fungus Alternaria sp. SK6YW3L","RSC Adv.","2016","","","","","10.1039/C6RA16214B","","","1.54178","CuKα","","0.0527","0.0421","","","0.1075","0.1211","","","","","","1.141","","","","has coordinates","184609","2020-10-21","18:00:00",""
"7226007","23.342","0.003","20.685","0.003","12.5402","0.0016","90","","97.97","0.002","90","","5996.3","1.4","296","2","296","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C28 H28 Ag5 Al N14 O44 W12 -","- C28 H28 Ag5 Al N14 O44 W12 -","- C112 H112 Ag20 Al4 N56 O176 W48 -","4","0.5","","Qi, Xian-xian; Lv, Jinghua; Yu, Kai; Zhang, He; Su, Zhan-Hua; Wang, Lu; Wang, Chunmei; Zhou, Baibin","The first 3D host-guest structure based on three-fold interpenetrating Ag-pz coordination polymer network and Keggin-type aluminumtungstates with photo-/electro- catalytic properties","RSC Adv.","2016","","","","","10.1039/C6RA15196E","","","0.71073","MoKα","","0.1209","0.08","","","0.1019","0.1385","","","","","","1.073","","","","has coordinates","184610","2020-10-21","18:00:00",""
"7226008","9.6722","0.0006","26.7274","0.0015","11.2684","0.0006","90","","106.882","0.0012","90","","2787.5","0.3","103","2","103","2","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","","","- C60 H36 S4 -","- C60 H36 S4 -","- C120 H72 S8 -","2","0.5","","Yamada, Hiroko; Yamashita, Masataka; Hayashi, Hironobu; Suzuki, Mitsuharu; Kuzuhara, Daiki; Yuasa, Junpei; Kawai, Tsuyoshi; Aratani, Naoki","Bisanthra-thianthrene: synthesis, structure and oxidation properties","RSC Adv.","2016","","","","","10.1039/C6RA13036D","","","0.71075","MoKα","","0.1434","0.0772","","","0.1911","0.2263","","","","","","1.038","","","","has coordinates,has disorder","184611","2020-10-21","18:00:00",""
"7226009","12.4405","0.0007","9.4399","0.0005","40.733","0.002","90","","93.801","0.001","90","","4773","0.4","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C56 H48 B Cl2 N5 O2 Zn -","- C56 H48 B Cl2 N5 O2 Zn -","- C224 H192 B4 Cl8 N20 O8 Zn4 -","4","1","","Yamada, Hiroko; Yamashita, Masataka; Hayashi, Hironobu; Suzuki, Mitsuharu; Kuzuhara, Daiki; Yuasa, Junpei; Kawai, Tsuyoshi; Aratani, Naoki","Bisanthra-thianthrene: synthesis, structure and oxidation properties","RSC Adv.","2016","","","","","10.1039/C6RA13036D","","","0.71073","MoKα","","0.0588","0.0387","","","0.1126","0.1289","","","","","","0.888","","","","has coordinates","184611","2020-10-21","18:00:00",""
"7226010","5.7625","0.0001","23.3095","0.0005","11.9536","0.0002","90","","103.946","0.001","90","","1558.29","0.05","130","","130","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H18 N4 O6 -","- C15 H18 N4 O6 -","- C60 H72 N16 O24 -","4","1","","Zhang, Weidong; Fu, Jianjun; Liu, Zhiqian; Jin, Huizi; Zhang, Shoude; Sun, Qingyan","A concise asymmetric total synthesis for structure elucidation of 5,6-secoiridoid from Incarvillea argute","RSC Adv.","2016","","","","","10.1039/C6RA15153A","","","1.54178","CuKα","","0.0629","0.0554","","","0.1453","0.1594","","","","","","1.136","","","","has coordinates","184612","2020-10-21","18:00:00",""
"7226011","10.7462","0.0003","10.2236","0.0002","13.2338","0.0003","90","","95.619","0.002","90","","1446.94","0.06","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C9 H8 Cu3 I2 N3 O3 -","- C9 H8 Cu3 I2 N3 O3 -","- C36 H32 Cu12 I8 N12 O12 -","4","1","","Yan, Hao-Ran; WANG, JIAN; Yu, Ying-Hui; Hou, Guang-Feng; Zhang, Hong-Xing; Gao, Jin-Sheng","Two Cationic [(CuxIy)x-y]n Motifs Based Coordination Polymers and Their Photocatalytic Properties","RSC Adv.","2016","","","","","10.1039/C6RA10627G","","","0.71073","MoKα","","0.0382","0.0311","","","0.0696","0.0741","","","","","","1.067","","","","has coordinates","184613","2020-10-21","18:00:00",""
"7226012","20.8927","0.0011","14.2874","0.0006","7.2925","0.0004","90","","108.832","0.006","90","","2060.3","0.19","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C18 H17 Cu2 I N6 O6 -","- C18 H17 Cu2 I N6 O6 -","- C72 H68 Cu8 I4 N24 O24 -","4","0.5","","Yan, Hao-Ran; WANG, JIAN; Yu, Ying-Hui; Hou, Guang-Feng; Zhang, Hong-Xing; Gao, Jin-Sheng","Two Cationic [(CuxIy)x-y]n Motifs Based Coordination Polymers and Their Photocatalytic Properties","RSC Adv.","2016","","","","","10.1039/C6RA10627G","","","0.71073","MoKα","","0.0307","0.028","","","0.0705","0.0716","","","","","","1.086","","","","has coordinates","184613","2020-10-21","18:00:00",""
"7226013","11.1138","0.0009","16.303","0.002","18.1646","0.0017","90","","90","","90","","3291.2","0.6","223","2","223","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C15 H8 Cu F9 N2 -","- C15 H8 Cu F9 N2 -","- C120 H64 Cu8 F72 N16 -","8","1","","Zhang, Songlin; Bie, Wen-Feng","Isolation and Characterization of Copper(III) Trifluoromethyl Complexes and Reactivity Studies of Aerobic Trifluoromethylation of Arylboronic Acids","RSC Adv.","2016","","","","","10.1039/C6RA10302B","","","0.71073","MoKα","","0.1389","0.09","","","0.2405","0.2713","","","","","","1.088","","","","has coordinates,has disorder","184640","2020-10-21","18:00:00",""
"7226014","14.4553","0.0012","19.5245","0.0015","18.3344","0.0015","90","","94.601","0.002","90","","5157.9","0.7","273","2","273","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C53 H39 Cl3 Cu2 F12 N2 P2 -","- C53 H39 Cl3 Cu2 F12 N2 P2 -","- C212 H156 Cl12 Cu8 F48 N8 P8 -","4","1","","Zhang, Songlin; Bie, Wen-Feng","Isolation and Characterization of Copper(III) Trifluoromethyl Complexes and Reactivity Studies of Aerobic Trifluoromethylation of Arylboronic Acids","RSC Adv.","2016","","","","","10.1039/C6RA10302B","","","0.71073","MoKα","","0.0903","0.0837","","","0.2509","0.2556","","","","","","1.055","","","","has coordinates,has disorder","184640","2020-10-21","18:00:00",""
"7226015","16.3137","0.0007","18.3199","0.0009","18.585","0.0009","90","","111.592","0.001","90","","5164.6","0.4","153","2","153","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C55 H47 Ag2 Br2 Cl2 P3 -","- C55 H47 Ag2 Br2 Cl2 P3 -","- C220 H188 Ag8 Br8 Cl8 P12 -","4","1","","Zhang, Songlin; Bie, Wen-Feng","Isolation and Characterization of Copper(III) Trifluoromethyl Complexes and Reactivity Studies of Aerobic Trifluoromethylation of Arylboronic Acids","RSC Adv.","2016","","","","","10.1039/C6RA10302B","","","0.71073","MoKα","","0.0448","0.0277","","","0.0545","0.0603","","","","","","1.041","","","","has coordinates","184640","2020-10-21","18:00:00",""
"7226016","8.4669","0.0003","11.3079","0.0004","12.7311","0.0004","97.439","0.002","98.638","0.002","91.496","0.002","1193.65","0.07","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","monoaqua-bis(N-(2-Methyl-2H‒tetrazol-5-yl-kN4)-N-(1,1-dioxo-1,2-benzisothiazol-3-yl-kN)azanido)copper(II) monohydrate","","- C18 H18 Cu N12 O6 S2 -","- C18 H18 Cu N12 O6 S2 -","- C36 H36 Cu2 N24 O12 S4 -","2","1","","Ismael, Amin Lopes; Henriques, Marta Sofia da Costa; Marques, Cátia Filipa Sousa; Rodrigues, Maria João; Barreira, Luísa Afonso; Paixão, José António; Fausto, Rui; Lurdes S Cristiano, Maria","Exploring saccharinate-tetrazoles as selective Cu (II) ligands: structure, magnetic properties and cytotoxicity of copper (II) complexes based on 5-(3-aminosaccharyl)-tetrazoles","RSC Adv.","2016","","","","","10.1039/C6RA15051A","","","0.71073","MoKα","","0.0408","0.0306","","","0.078","0.0838","","","","","","1.028","","","","has coordinates","184641","2020-10-21","18:00:00",""
"7226017","8.681","0.0002","8.7004","0.0003","17.2976","0.0005","90","","90","","90","","1306.46","0.07","173","2","173","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","pseuboydone A","","","- C15 H22 O2 -","- C15 H22 O2 -","- C60 H88 O8 -","4","1","","Lan, Wenjian; Wang, Kunteng; Xu, Meng-Yang; Zhang, Jingjing; Lam, Chi-Keung; Zhong, Guohua; Xu, Jun; Yang, Depo; Li, Houjin; Wang, Laiyou","Secondary Metabolites with Chemical Diversity from the Marine-derived Fungus Pseudallescheria boydii F19-1 and Their Cytotoxic Activity","RSC Adv.","2016","","","","","10.1039/C6RA06661E","","","1.54178","CuKα","","0.0424","0.0387","","","0.0993","0.1028","","","","","","1.074","","","","has coordinates","184642","2020-10-21","18:00:00",""
"7226018","27.1928","0.0012","8.0801","0.0003","25.7427","0.0009","90","","106.876","0.004","90","","5412.6","0.4","291.73","0.1","291.73","0.1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C16 H11 Br N2 O -","- C16 H11 Br N2 O -","- C256 H176 Br16 N32 O16 -","16","2","","Liu, Xingxing; Wu, Zhaoyang; Luo, Xinliang; He, Yongqin; zhou, xiaoqiang; Fan, Yuxing; Huang, Guosheng","PhI(OAc)2 Oxidative C5 Halogenation of Quinolines Using Copper Halides Under Mild Conditions","RSC Adv.","2016","","","","","10.1039/C6RA14863H","","x-ray","0.71073","MoKα","","0.1059","0.0496","","","0.0882","0.1081","","","","","","1.011","","","","has coordinates","184643","2020-10-21","18:00:00",""
"7226019","10.9788","0.0008","25.286","0.003","16.0994","0.0007","90","","100.188","0.006","90","","4398.9","0.6","295","2","295","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","6,15-Dihexyl-7,16-diphenyl-6,15-dihydroindeno[1,2-b]indeno[2',1':5,6]indolo[2,3-h]carbazole-9,18-dione","","- C56 H48 N2 O2 -","- C56 H48 N2 O2 -","- C224 H192 N8 O8 -","4","1","","Irgashev, Roman A.; Kazin, Nikita A.; Kim, Grigory A.; Rusinov, Gennady L.; Charushin, Valery N.","A new synthetic approach to fused nine-ring systems of the indolo[3,2-b]carbazole family through double Pd-catalyzed intramolecular C‒H arylation","RSC Adv.","2016","6","74","70106","","10.1039/C6RA11796A","","","0.7107","MoKα","","0.1733","0.068","","","0.1632","0.2204","","","","","","1.001","","","","has coordinates,has disorder","184644","2020-10-21","18:00:00",""
"7226020","14.5649","0.0003","14.1256","0.0004","15.1659","0.0005","90","","103.328","0.003","90","","3036.16","0.15","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H28 Co N6 O12 -","- C28 H28 Co N6 O12 -","- C112 H112 Co4 N24 O48 -","4","1","","Chen, Wenxian; Gao, Yi-fen; Gao, Pei-Yuan; Liu, Qiu-ping; Zhuang, Gui-lin","Ionothermal Synthesis, Magnetic Transformation and Hydration-Dehydration Properties of Co(II)-based Coordination Polymers","RSC Adv.","2016","","","","","10.1039/C6RA14268K","","","0.71073","MoKα","","0.0816","0.0507","","","0.1309","0.1402","","","","","","0.988","","","","has coordinates","184645","2020-10-21","18:00:00",""
"7226021","7.1529","0.0014","15.431","0.003","14.163","0.004","90","","107.41","0.03","90","","1491.6","0.6","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H15 N3 O6 -","- C14 H14 N3 O6 -","- C56 H56 N12 O24 -","4","1","","Chen, Wenxian; Gao, Yi-fen; Gao, Pei-Yuan; Liu, Qiu-ping; Zhuang, Gui-lin","Ionothermal Synthesis, Magnetic Transformation and Hydration-Dehydration Properties of Co(II)-based Coordination Polymers","RSC Adv.","2016","","","","","10.1039/C6RA14268K","","","0.71073","MoKα","","0.1467","0.0949","","","0.2659","0.3028","","","","","","1.086","","","","has coordinates","184645","2020-10-21","18:00:00",""
"7226022","7.9839","0.0016","20.911","0.004","13.594","0.003","90","","91.7","0.03","90","","2268.5","0.8","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C36 H44 Co3 N6 O22 -","- C36 H40 Co3 N6 O22 -","- C72 H80 Co6 N12 O44 -","2","0.5","","Chen, Wenxian; Gao, Yi-fen; Gao, Pei-Yuan; Liu, Qiu-ping; Zhuang, Gui-lin","Ionothermal Synthesis, Magnetic Transformation and Hydration-Dehydration Properties of Co(II)-based Coordination Polymers","RSC Adv.","2016","","","","","10.1039/C6RA14268K","","","0.71073","MoKα","","0.0419","0.0373","","","0.1047","0.1084","","","","","","1.061","","","","has coordinates","184645","2020-10-21","18:00:00",""
"7226023","10.113","0.0007","26.6767","0.0009","10.9905","0.0005","90","","100.523","0.005","90","","2915.2","0.3","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C28 H30 Co N4 O9 -","- C28 H30 Co N4 O9 -","- C112 H120 Co4 N16 O36 -","4","1","","Chen, Wenxian; Gao, Yi-fen; Gao, Pei-Yuan; Liu, Qiu-ping; Zhuang, Gui-lin","Ionothermal Synthesis, Magnetic Transformation and Hydration-Dehydration Properties of Co(II)-based Coordination Polymers","RSC Adv.","2016","","","","","10.1039/C6RA14268K","","","0.71073","MoKα","","0.1342","0.0896","","","0.2518","0.2768","","","","","","0.961","","","","has coordinates","184645","2020-10-21","18:00:00",""
"7226024","12.508","0.006","12.508","0.006","20.747","0.01","90","","90","","120","","2811","2","293","2","293","2","","","","","","","","6","P 31","P 31","144","","","","- C36 H40 Cl6 N2 P Pd -","- C36 H40 Cl6 N2 P Pd -","- C108 H120 Cl18 N6 P3 Pd3 -","3","1","","Xu, Jian-Xing; Ye, Fei; Bai, Xing-Feng; Cui, Yuming; xu, zheng; Zheng, Zhan-Jiang; Xu, Li-Wen","A Mechanistic Study on Multifunctional Fei-Phos Ligand-controlled Asymmetric Palladium -Catalyzed Allylic Substitutions","RSC Adv.","2016","","","","","10.1039/C6RA15665G","","","0.71073","MoKα","","0.084","0.0555","","","0.1307","0.1454","","","","","","0.989","","","","has coordinates","184646","2020-10-21","18:00:00",""
"7226025","10.813","0.003","20.064","0.009","8.964","0.003","90","","90.695","0.009","90","","1944.6","1.2","200","2","200","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H21 N3 O2 -","- C24 H21 N3 O2 -","- C96 H84 N12 O8 -","4","1","","Yao, Ching-Fa; Villuri, Bharath Kumar; Kotipalli, Trimurtulu; Kavala, Veerababurao; Ichake, Sachin S.; Bandi, Vijayalakshmi; Kuo, Chun-Wei","Synthesis of Spiro Isoindolinone-indolines and 1,2-Disubstituted Indoles from 2-Iodobenzamide derivatives","RSC Adv.","2016","","","","","10.1039/C6RA15002K","","","0.71073","MoKα","","0.1674","0.0724","","","0.1622","0.2088","","","","","","1.01","","","","has coordinates","184647","2020-10-21","18:00:00",""
"7226026","7.2109","0.0005","8.7771","0.0005","16.7382","0.0012","92.017","0.004","100.699","0.004","105.215","0.003","1000.53","0.12","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H19 Br N2 O2 -","- C24 H19 Br N2 O2 -","- C48 H38 Br2 N4 O4 -","2","1","","Yao, Ching-Fa; Villuri, Bharath Kumar; Kotipalli, Trimurtulu; Kavala, Veerababurao; Ichake, Sachin S.; Bandi, Vijayalakshmi; Kuo, Chun-Wei","Synthesis of Spiro Isoindolinone-indolines and 1,2-Disubstituted Indoles from 2-Iodobenzamide derivatives","RSC Adv.","2016","","","","","10.1039/C6RA15002K","","","0.71073","MoKα","","0.0844","0.0511","","","0.1029","0.1122","","","","","","0.977","","","","has coordinates","184647","2020-10-21","18:00:00",""
"7226027","9.6989","0.0016","15.284","0.003","15.014","0.003","90","","102.462","0.006","90","","2173.2","0.7","200","2","200","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C23 H15 Br2 Cl N2 O2 -","- C23 H15 Br2 Cl N2 O2 -","- C92 H60 Br8 Cl4 N8 O8 -","4","1","","Yao, Ching-Fa; Villuri, Bharath Kumar; Kotipalli, Trimurtulu; Kavala, Veerababurao; Ichake, Sachin S.; Bandi, Vijayalakshmi; Kuo, Chun-Wei","Synthesis of Spiro Isoindolinone-indolines and 1,2-Disubstituted Indoles from 2-Iodobenzamide derivatives","RSC Adv.","2016","","","","","10.1039/C6RA15002K","","","0.71073","MoKα","","0.092","0.0552","","","0.131","0.1728","","","","","","1.183","","","","has coordinates","184647","2020-10-21","18:00:00",""
"7226028","17.3513","0.0003","14.2331","0.0002","15.8822","0.0002","90","","90","","90","","3922.31","0.1","200","2","200","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C23 H16 Br Cl N2 O2 -","- C23 H16 Br Cl N2 O2 -","- C184 H128 Br8 Cl8 N16 O16 -","8","2","","Yao, Ching-Fa; Villuri, Bharath Kumar; Kotipalli, Trimurtulu; Kavala, Veerababurao; Ichake, Sachin S.; Bandi, Vijayalakshmi; Kuo, Chun-Wei","Synthesis of Spiro Isoindolinone-indolines and 1,2-Disubstituted Indoles from 2-Iodobenzamide derivatives","RSC Adv.","2016","","","","","10.1039/C6RA15002K","","","0.71073","MoKα","","0.0591","0.0481","","","0.1126","0.1182","","","","","","1.031","","","","has coordinates","184647","2020-10-21","18:00:00",""
"7226029","7.8972","0.0003","15.0212","0.0006","16.9789","0.0005","90","","90","","90","","2014.13","0.13","200","2","200","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C23 H16 Br Cl N2 O2 -","- C23 H16 Br Cl N2 O2 -","- C92 H64 Br4 Cl4 N8 O8 -","4","1","","Yao, Ching-Fa; Villuri, Bharath Kumar; Kotipalli, Trimurtulu; Kavala, Veerababurao; Ichake, Sachin S.; Bandi, Vijayalakshmi; Kuo, Chun-Wei","Synthesis of Spiro Isoindolinone-indolines and 1,2-Disubstituted Indoles from 2-Iodobenzamide derivatives","RSC Adv.","2016","","","","","10.1039/C6RA15002K","","","0.71073","MoKα","","0.0436","0.0333","","","0.0681","0.0719","","","","","","1.029","","","","has coordinates","184647","2020-10-21","18:00:00",""
"7226030","9.8696","0.0005","10.1071","0.0005","10.6037","0.0004","96.056","0.002","94.649","0.003","98.442","0.003","1035.43","0.08","200","2","200","2","","","","","","","","4","P -1","-P 1","2","","","","- C28 H22 N2 O -","- C28 H22 N2 O -","- C56 H44 N4 O2 -","2","1","","Yao, Ching-Fa; Villuri, Bharath Kumar; Kotipalli, Trimurtulu; Kavala, Veerababurao; Ichake, Sachin S.; Bandi, Vijayalakshmi; Kuo, Chun-Wei","Synthesis of Spiro Isoindolinone-indolines and 1,2-Disubstituted Indoles from 2-Iodobenzamide derivatives","RSC Adv.","2016","","","","","10.1039/C6RA15002K","","","0.71073","MoKα","","0.047","0.0372","","","0.0903","0.0971","","","","","","1.033","","","","has coordinates","184647","2020-10-21","18:00:00",""
"7226031","11.177","0.004","10.727","0.004","29.751","0.011","90","","90","","90","","3567","2","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","FM2","","- C20 H22 N2 O6 -","- C20 H22 N2 O6 -","- C160 H176 N16 O48 -","8","1","","Zhang, Jingwen; Wang, Chao; Zhang, Lei; Wu, Huijing; Xiao, Yi; xu, yufang; Qian, Xu Hong; Zhu, Weiping","Novel nonplanar and rigid fluorophores with intensive emission in water and the application in two-photon imaging of live cells","RSC Adv.","2016","","","","","10.1039/C6RA13226J","","","0.71073","MoKα","","0.1455","0.0687","","","0.129","0.1587","","","","","","1.018","","","","has coordinates","184648","2020-10-21","18:00:00",""
"7226032","21.9466","0.0017","9.4061","0.0007","20.0971","0.0015","90","","117.266","0.0008","90","","3687.7","0.5","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C34 H38 N6 Ni2 O12 -","- C34 H38 N6 Ni2 O12 -","- C136 H152 N24 Ni8 O48 -","4","1","","White, Charmaine L.; LaDuca, Robert L.","Nickel adipate coordination polymers with isomeric dipyridylamide ligands: topological disorder and divergent magnetic properties","CrystEngComm","2016","18","36","6789","","10.1039/C6CE01368F","","","0.71073","MoKα","","0.0866","0.0638","","","0.1672","0.1867","","","","","","1.038","","","","has coordinates,has disorder","187038","2020-10-21","18:00:00",""
"7226033","11.2195","0.0018","13.111","0.002","13.874","0.002","77.375","0.002","73.49","0.002","74.612","0.002","1863.8","0.5","173","2","173.15","","","","","","","","","5","P -1","-P 1","2","","","","- C34 H39 N6 Ni2 O13 -","- C34 H39 N6 Ni2 O13 -","- C68 H78 N12 Ni4 O26 -","2","1","","White, Charmaine L.; LaDuca, Robert L.","Nickel adipate coordination polymers with isomeric dipyridylamide ligands: topological disorder and divergent magnetic properties","CrystEngComm","2016","18","36","6789","","10.1039/C6CE01368F","","","0.71073","MoKα","","0.0792","0.0517","","","0.1181","0.1299","","","","","","0.988","","","","has coordinates,has disorder","187038","2020-10-21","18:00:00",""
"7226034","6.841","0.0014","7.313","0.0015","35.529","0.007","90","","90","","90","","1777.5","0.6","293","","293","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C24 H16 N2 -","- C24 H16 N2 -","- C96 H64 N8 -","4","0.5","","Xu, Yuanxiang; Xie, Zengqi; Zhang, Houyu; Shen, Fangzhong; Ma, Yuguang","Conformational polymorphism of a twisted conjugated molecule: controllable torsional motion for crystal growth selectivity","CrystEngComm","2016","18","36","6824","","10.1039/C6CE01057A","","","0.71073","MoKα","","0.0931","0.058","","","0.1349","0.1553","","","","","","1.032","","","","has coordinates","187040","2020-10-21","18:00:00",""
"7226035","26.818","0.006","6.8919","0.0008","9.7465","0.0012","90","","100.459","0.017","90","","1771.5","0.5","293","","293","","","","","","","","","3","P 1 2/c 1","-P 2yc","13","","","","- C24 H16 N2 -","- C24 H16 N2 -","- C96 H64 N8 -","4","1","","Xu, Yuanxiang; Xie, Zengqi; Zhang, Houyu; Shen, Fangzhong; Ma, Yuguang","Conformational polymorphism of a twisted conjugated molecule: controllable torsional motion for crystal growth selectivity","CrystEngComm","2016","18","36","6824","","10.1039/C6CE01057A","","","0.71073","MoKα","","0.1426","0.079","","","0.2134","0.2549","","","","","","1.06","","","","has coordinates,has disorder","187040","2020-10-21","18:00:00",""
"7226036","10.9266","0.0009","18.0002","0.001","18.562","0.002","90","","96.911","0.01","90","","3624.3","0.5","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C70 H70 Co3 N4 O26 -","- C70 H70 Co3 N4 O26 -","- C140 H140 Co6 N8 O52 -","2","0.5","","Lin, Xiao-Ming; Niu, Ji-Liang; Chen, Dan-Ni; Lu, Yan-Na; Zhang, Gang; Cai, Yue-Peng","Four metal‒organic frameworks based on a semirigid tripodal ligand and different secondary building units: structures and electrochemical performance","CrystEngComm","2016","18","36","6841","","10.1039/C6CE01068G","","","1.54178","CuKα","","0.1405","0.1004","","","0.2714","0.3057","","","","","","1.061","","","","has coordinates","187042","2020-10-21","18:00:00",""
"7226037","16.7644","0.0003","17.8611","0.0002","16.4068","0.0002","90","","113.298","0.002","90","","4512.12","0.13","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C63 H89 Cd3 N3 O44 -","- C54 H30 Cd3 O22 -","- C108 H60 Cd6 O44 -","2","0.5","","Lin, Xiao-Ming; Niu, Ji-Liang; Chen, Dan-Ni; Lu, Yan-Na; Zhang, Gang; Cai, Yue-Peng","Four metal‒organic frameworks based on a semirigid tripodal ligand and different secondary building units: structures and electrochemical performance","CrystEngComm","2016","18","36","6841","","10.1039/C6CE01068G","","","1.54178","CuKα","","0.0646","0.0583","","","0.184","0.1912","","","","","","1.093","","","","has coordinates","187042","2020-10-21","18:00:00",""
"7226038","10.2193","0.0006","11.1861","0.0005","16.235","0.0007","95.006","0.001","91.712","0.002","112.69","0.001","1701.64","0.15","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C66 H62 Mn3 N4 O24 -","- C66 H62 Mn3 N4 O24 -","- C66 H62 Mn3 N4 O24 -","1","0.5","","Lin, Xiao-Ming; Niu, Ji-Liang; Chen, Dan-Ni; Lu, Yan-Na; Zhang, Gang; Cai, Yue-Peng","Four metal‒organic frameworks based on a semirigid tripodal ligand and different secondary building units: structures and electrochemical performance","CrystEngComm","2016","18","36","6841","","10.1039/C6CE01068G","","","0.71073","MoKα","","0.1147","0.05","","","0.1157","0.16","","","","","","1.031","","","","has coordinates","187042","2020-10-21","18:00:00",""
"7226039","12.2813","0.0002","27.3205","0.0004","16.465","0.0002","90","","102.863","0.001","90","","5385.89","0.14","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C47 H62 N4 O15 Zn2 -","- C47 H59 N4 O15 Zn2 -","- C188 H236 N16 O60 Zn8 -","4","1","","Lin, Xiao-Ming; Niu, Ji-Liang; Chen, Dan-Ni; Lu, Yan-Na; Zhang, Gang; Cai, Yue-Peng","Four metal‒organic frameworks based on a semirigid tripodal ligand and different secondary building units: structures and electrochemical performance","CrystEngComm","2016","18","36","6841","","10.1039/C6CE01068G","","","1.54178","CuKα","","0.0791","0.0687","","","0.2085","0.2204","","","","","","1.045","","","","has coordinates","187042","2020-10-21","18:00:00",""
"7226040","9.6","0.0005","14.2422","0.0007","27.0844","0.0014","90","","90","","90","","3703.1","0.3","100","","100","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","(S)-(1-(methylsulfonyl)pyrrolidin-2-yl)(2,2,6,6-tetramethyl-1,4,2,6-oxazadisilinan-4-yl)methanone","","- C12 H26 N2 O4 S Si2 -","- C12 H26 N2 O4 S Si2 -","- C96 H208 N16 O32 S8 Si16 -","8","2","","Nikolin, Alexey Aleksandrovich; Kramarova, Eugenia; Shipov, Aleksander; Baukov, Yuri; Negrebetsky, Vadim V.; Dmitry, Arkhipov E.; Korlyukov, Aleksander; Lagunin, Alexey; Bylikin, Sergey; Bassindale, Alan R.; Taylor, P. G.","N, N-bis-(dimethylfluorosilylmethyl)amides of N-organosulfonylproline and sarcosine: synthesis, structure, stereodynamic behaviour and in silico studies","RSC Adv.","2016","","","","","10.1039/C6RA14450K","","","0.71073","MoKα","","0.0384","0.0344","","","0.0775","0.0793","","","","","","1.071","","","","has coordinates","184666","2020-10-21","18:00:00",""
"7226041","7.436","0.004","9.474","0.006","14.125","0.009","90","","104.082","0.009","90","","965.2","1","100","","100","","","","","","","","","6","P 1 21 1","P 2yb","4","","(S)-(1-(methylsulfonyl)pyrrolidin-2-yl)(2,2,6,6-tetramethyl-1,4,2,6-oxazadisilinan-4-yl)methanone","","- C12 H26 N2 O4 S Si2 -","- C12 H26 N2 O4 S Si2 -","- C24 H52 N4 O8 S2 Si4 -","2","1","","Nikolin, Alexey Aleksandrovich; Kramarova, Eugenia; Shipov, Aleksander; Baukov, Yuri; Negrebetsky, Vadim V.; Dmitry, Arkhipov E.; Korlyukov, Aleksander; Lagunin, Alexey; Bylikin, Sergey; Bassindale, Alan R.; Taylor, P. G.","N, N-bis-(dimethylfluorosilylmethyl)amides of N-organosulfonylproline and sarcosine: synthesis, structure, stereodynamic behaviour and in silico studies","RSC Adv.","2016","","","","","10.1039/C6RA14450K","","","0.71073","MoKα","","0.1105","0.0714","","","0.1441","0.1534","","","","","","1.004","","","","has coordinates","184666","2020-10-21","18:00:00",""
"7226042","15.1089","0.0009","6.6275","0.0004","16.4442","0.001","90","","98.762","0.001","90","","1627.41","0.17","100","","100","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","N-methyl-N-(2-oxo-2-(2,2,6,6-tetramethyl-1,4,2,6-oxazadisilinan-4-yl)ethyl)methanesulfonamide","","- C10 H24 N2 O4 S Si2 -","- C10 H24 N2 O4 S Si2 -","- C40 H96 N8 O16 S4 Si8 -","4","1","","Nikolin, Alexey Aleksandrovich; Kramarova, Eugenia; Shipov, Aleksander; Baukov, Yuri; Negrebetsky, Vadim V.; Dmitry, Arkhipov E.; Korlyukov, Aleksander; Lagunin, Alexey; Bylikin, Sergey; Bassindale, Alan R.; Taylor, P. G.","N, N-bis-(dimethylfluorosilylmethyl)amides of N-organosulfonylproline and sarcosine: synthesis, structure, stereodynamic behaviour and in silico studies","RSC Adv.","2016","","","","","10.1039/C6RA14450K","","","0.71073","MoKα","","0.0573","0.0484","","","0.0968","0.1022","","","","","","1.034","","","","has coordinates","184666","2020-10-21","18:00:00",""
"7226043","13.0441","0.0009","15.9282","0.0011","18.298","0.0013","90","","90","","90","","3801.8","0.5","100","","100","","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","(S)-N,N-bis((fluorodimethylsilyl)methyl)-1-(methylsulfonyl)pyrrolidine-2-carboxamide","","- C12 H26 F2 N2 O3 S Si2 -","- C12 H26 F2 N2 O3 S Si2 -","- C96 H208 F16 N16 O24 S8 Si16 -","8","2","","Nikolin, Alexey Aleksandrovich; Kramarova, Eugenia; Shipov, Aleksander; Baukov, Yuri; Negrebetsky, Vadim V.; Dmitry, Arkhipov E.; Korlyukov, Aleksander; Lagunin, Alexey; Bylikin, Sergey; Bassindale, Alan R.; Taylor, P. G.","N, N-bis-(dimethylfluorosilylmethyl)amides of N-organosulfonylproline and sarcosine: synthesis, structure, stereodynamic behaviour and in silico studies","RSC Adv.","2016","","","","","10.1039/C6RA14450K","","","0.71073","MoKα","","0.0336","0.0266","","","0.0655","0.0698","","","","","","1.084","","","","has coordinates","184666","2020-10-21","18:00:00",""
"7226044","7.0419","0.0004","8.0935","0.0005","15.4614","0.0008","85.744","0.002","89.568","0.002","80.461","0.002","866.61","0.09","301","2","301","2","","","","","","","","5","P -1","-P 1","2","","5-(naphthalen-2-ylmethyl)-3-(piperidin-1-ylmethyl)-1,3,4-oxadiazole-2(3H)-thione","","- C19 H21 N3 O S -","- C19 H21 N3 O S -","- C38 H42 N6 O2 S2 -","2","1","","Mohd Aluwi, Mohd Fadhlizil Fasihi; Rullah, Kamal; Tan, Huan Huan; Chan, Kok Meng; Tan, Jie Si; Leong, Sze Wei; Mansor, Ahmad Hasnan; Yamin, Bohari M.; Wai, Lam Kok","Synthesis and effects of oxadiazole derivatives on tyrosinase activity and human SK-MEL-28 malignant melanoma cells","RSC Adv.","2016","","","","","10.1039/C6RA12754A","","","0.71073","MoKα","","0.094","0.0575","","","0.1094","0.124","","","","","","1.109","","","","has coordinates","184667","2020-10-21","18:00:00",""
"7226045","11.438","0.003","16.436","0.003","10.711","0.002","90","","115.22","0.03","90","","1821.7","0.8","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H28 Mn3 N20 O8 -","- C26 H28 Mn3 N20 O8 -","- C52 H56 Mn6 N40 O16 -","2","0.5","","wang, yan-qin; Tan, Qinghua; Guo, Xiao Yu; Liu, Hou-Ting; Liu, Zhiliang; Gao, En-Qing","Novel manganese(II) and cobalt(II) 2D polymers containing alternating chains with mixed azide and carboxylate bridges: crystal structure and magnetic properties","RSC Adv.","2016","","","","","10.1039/C6RA09143A","","","1.54184","CuKα","","0.1936","0.1134","","","0.2664","0.3664","","","","","","0.999","","","","has coordinates","184668","2020-10-21","18:00:00",""
"7226046","10.0434","0.0013","11.0274","0.0013","11.2225","0.0013","71.812","0.01","76.599","0.011","72.559","0.011","1113.4","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C34 H36 Co3 N22 O13 -","- C34 H36 Co3 N22 O13 -","- C34 H36 Co3 N22 O13 -","1","0.5","","wang, yan-qin; Tan, Qinghua; Guo, Xiao Yu; Liu, Hou-Ting; Liu, Zhiliang; Gao, En-Qing","Novel manganese(II) and cobalt(II) 2D polymers containing alternating chains with mixed azide and carboxylate bridges: crystal structure and magnetic properties","RSC Adv.","2016","","","","","10.1039/C6RA09143A","","","1.54178","CuKα","","0.2374","0.1247","","","0.278","0.3991","","","","","","0.936","","","","has coordinates","184668","2020-10-21","18:00:00",""
"7226047","12.4924","0.0009","8.6494","0.0005","20.0211","0.0014","90","","105.311","0.004","90","","2086.5","0.2","223","2","223","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","(5-Ethyl-2-hydroxyphenyl)(2'-hydroxy-[1,1':3',1''-terphenyl]-5'-yl)methanone","","- C27 H22 O3 -","- C27 H22 O3 -","- C108 H88 O12 -","4","1","","Tamargo, Ramuel John Inductivo; Poudel, Tej Narayan; Lee, Yong Rok","Mild base-promoted benzannulation for the construction of polyfunctionalized m-terphenyl derivatives and their application as potent UV-filters","RSC Adv.","2016","6","74","70311","","10.1039/C6RA15193K","","","0.71073","MoKα","","0.1085","0.0487","","","0.0968","0.1181","","","","","","1.029","","","","has coordinates","184669","2020-10-21","18:00:00",""
"7226048","7.402","0.002","12.192","0.003","14.52","0.004","69.065","0.009","86.79","0.012","73.933","0.009","1174.7","0.5","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H20 Br3 P Pb -","- C24 H20 Br3 P Pb -","- C48 H40 Br6 P2 Pb2 -","2","1","","Bartlett, Philip N.; Burt, Jennifer; Hasan, Mahboba M.; Hector, Andrew L.; Levason, W.; Reid, Gillian; Richardson, Peter W.","Haloplumbate Salts as Reagents for the Non-Aqueous Electrodeposition of Lead","RSC Adv.","2016","","","","","10.1039/C6RA12942K","","","0.71073","MoKα","","0.0236","0.0204","","","0.041","0.0415","","","","","","0.855","","","","has coordinates","184670","2020-10-21","18:00:00",""
"7226049","9.397","0.001","13.751","0.001","16.804","0.001","90","","95.736","0.001","90","","2160.5","0.3","300","2","300","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C8 Cl3 Co Cs4 N8 W -","- C8 Cl3 Co Cs4 N8 W -","- C32 Cl12 Co4 Cs16 N32 W4 -","4","1","","Nakabayashi, Koji; Chorazy, Szymon; Miyamoto, Yasuto; Fujimoto, Takashi; Yazawa, Koji; Takahashi, Daisuke; Sieklucka, Barbara; Ohkoshi, Shin-ichi","High thermal durability of a layered Cs4CoII[WV(CN)8]Cl3 framework: crystallographic and 133Cs NMR spectroscopic studies","CrystEngComm","2016","18","48","9236","","10.1039/C6CE01363E","","","0.6889","synchrotron","","0.0312","0.0278","","","0.0645","0.066","","","","","","0.972","","","","has coordinates","190071","2020-10-21","18:00:00",""
"7226050","9.427","0.001","13.785","0.001","16.814","0.001","90","","95.667","0.001","90","","2174.3","0.3","400","2","400","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C8 Cl3 Co Cs4 N8 W -","- C8 Cl3 Co Cs4 N8 W -","- C32 Cl12 Co4 Cs16 N32 W4 -","4","1","","Nakabayashi, Koji; Chorazy, Szymon; Miyamoto, Yasuto; Fujimoto, Takashi; Yazawa, Koji; Takahashi, Daisuke; Sieklucka, Barbara; Ohkoshi, Shin-ichi","High thermal durability of a layered Cs4CoII[WV(CN)8]Cl3 framework: crystallographic and 133Cs NMR spectroscopic studies","CrystEngComm","2016","18","48","9236","","10.1039/C6CE01363E","","","0.6889","synchrotron","","0.0572","0.0414","","","0.0945","0.1037","","","","","","0.877","","","","has coordinates","190071","2020-10-21","18:00:00",""
"7226051","9.45","0.001","13.796","0.001","16.753","0.001","90","","95.654","0.002","90","","2173.5","0.3","473","2","473","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C8 Cl3 Co Cs4 N8 W -","- C8 Cl3 Co Cs4 N8 W -","- C32 Cl12 Co4 Cs16 N32 W4 -","4","1","","Nakabayashi, Koji; Chorazy, Szymon; Miyamoto, Yasuto; Fujimoto, Takashi; Yazawa, Koji; Takahashi, Daisuke; Sieklucka, Barbara; Ohkoshi, Shin-ichi","High thermal durability of a layered Cs4CoII[WV(CN)8]Cl3 framework: crystallographic and 133Cs NMR spectroscopic studies","CrystEngComm","2016","18","48","9236","","10.1039/C6CE01363E","","","0.6889","synchrotron","","0.1033","0.0733","","","0.1806","0.21","","","","","","0.949","","","","has coordinates","190071","2020-10-21","18:00:00",""
"7226052","13.3522","0.0019","13.823","0.003","9.515","0.002","90","","92.847","0.018","90","","1754","0.6","293","2","293.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H18 Br N O3 -","- C19 H18 Br N O3 -","- C76 H72 Br4 N4 O12 -","4","1","","Wu, Qianqian; Wang, Zian; Li, Jiale; Qiu, Shuang; Cao, Duxia; Liu, Zhiqiang; Guan, Ruifang","3-hydroxyflavone derivatives synthesized by a new simple method as chemosensors for cyanide anions","RSC Adv.","2016","","","","","10.1039/C6RA11415F","","x-ray","0.71073","MoKα","","0.1509","0.0665","","","0.1447","0.2086","","","","","","1","","","","has coordinates","184688","2020-10-21","18:00:00",""
"7226053","7.0399","0.0007","7.3275","0.0007","17.4123","0.0017","89.658","0.008","82.561","0.008","76.168","0.008","864.53","0.15","293","2","293.15","","","","","","","","","4","P -1","-P 1","2","","","","- C20 H18 N O5 -","- C19 H18 N2 O5 -","- C38 H36 N4 O10 -","2","1","","Wu, Qianqian; Wang, Zian; Li, Jiale; Qiu, Shuang; Cao, Duxia; Liu, Zhiqiang; Guan, Ruifang","3-hydroxyflavone derivatives synthesized by a new simple method as chemosensors for cyanide anions","RSC Adv.","2016","","","","","10.1039/C6RA11415F","","x-ray","0.71073","MoKα","","0.098","0.0532","","","0.1203","0.1454","","","","","","1.013","","","","has coordinates","184688","2020-10-21","18:00:00",""
"7226054","9.2978","0.0019","18.028","0.004","14.049","0.003","90","","90","","90","","2354.9","0.9","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C16 H32 Br4 Cd N2 -","- C16 H32 Br4 Cd N2 -","- C64 H128 Br16 Cd4 N8 -","4","1","","Wang, Xiao-Li; Zhou, Lin; Ye, Qiong; Geng, Fu-Juan; Ye, Heng-Yun; Fu, Da-Wei; Zhang, Yi","A spiro-type ammonium based switchable dielectric material with two sequential reversible phase transitions above room temperature","RSC Adv.","2016","","","","","10.1039/C6RA14157A","","","0.71073","MoKα","","0.1835","0.0742","","","0.1493","0.1883","","","","","","1.001","","","","has coordinates","184689","2020-10-21","18:00:00",""
"7226055","9.407","0.012","18.17","0.02","14.37","0.017","90","","90","","90","","2456","5","348","2","348","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C16 H32 Br4 Cd N2 -","- C16 H32 Br4 Cd N2 -","- C64 H128 Br16 Cd4 N8 -","4","1","","Wang, Xiao-Li; Zhou, Lin; Ye, Qiong; Geng, Fu-Juan; Ye, Heng-Yun; Fu, Da-Wei; Zhang, Yi","A spiro-type ammonium based switchable dielectric material with two sequential reversible phase transitions above room temperature","RSC Adv.","2016","","","","","10.1039/C6RA14157A","","","0.71073","MoKα","","0.2598","0.1482","","","0.3791","0.4467","","","","","","1.216","","","","has coordinates","184689","2020-10-21","18:00:00",""
"7226056","9.99","0.02","17.24","0.04","15.09","0.03","90","","90.57","0.06","90","","2599","9","365","2","365","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H32 Br4 Cd N2 -","- C16 H32 Br4 Cd N2 -","- C64 H128 Br16 Cd4 N8 -","4","1","","Wang, Xiao-Li; Zhou, Lin; Ye, Qiong; Geng, Fu-Juan; Ye, Heng-Yun; Fu, Da-Wei; Zhang, Yi","A spiro-type ammonium based switchable dielectric material with two sequential reversible phase transitions above room temperature","RSC Adv.","2016","","","","","10.1039/C6RA14157A","","","0.71073","MoKα","","0.5385","0.301","","","0.5747","0.6737","","","","","","1.394","","","","has coordinates","184689","2020-10-21","18:00:00",""
"7226057","6.6884","0.0005","7.6318","0.0006","12.9438","0.0011","90","","100.414","0.002","90","","649.83","0.09","200","2","200","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","8 in manuscript","","","- C8 H8 O2 -","- C8 H8 O2 -","- C32 H32 O8 -","4","1","","Tšupova, Svetlana; Rominger, Frank; Rudolph, Matthias; Hashmi, A. Stephen K.","Synthesis of phenols from hydroxymethylfurfural (HMF)","Green Chem.","2016","18","21","5800","","10.1039/C6GC01622G","","","0.71073","MoKα","","0.0551","0.0421","","","0.1313","0.1366","","","","","","1.183","","","","has coordinates","188253","2020-10-21","18:00:00",""
"7226058","4.5985","0.0006","20.751","0.003","10.2612","0.0013","90","","91.893","0.003","90","","978.6","0.2","200","2","200","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","9 in manuscript","","","- C11 H14 O3 -","- C11 H14 O3 -","- C44 H56 O12 -","4","1","","Tšupova, Svetlana; Rominger, Frank; Rudolph, Matthias; Hashmi, A. Stephen K.","Synthesis of phenols from hydroxymethylfurfural (HMF)","Green Chem.","2016","18","21","5800","","10.1039/C6GC01622G","","","0.71073","MoKα","","0.0498","0.0417","","","0.1264","0.131","","","","","","1.206","","","","has coordinates","188253","2020-10-21","18:00:00",""
"7226059","10.5876","0.0004","12.4088","0.0005","12.5358","0.0005","68.982","0.004","84.668","0.003","88.342","0.003","1530.7","0.11","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","[3-cyano-4-(2-oxo-3aH-indol-3-yl)-4a, 8a-dihydrochromen-2-yl] amine; [3-cyano-4-(2-oxo-dihydro-1$l^{2}-indol-3-yl)-4a,8a-dihydro-1$l^{3}-benzopyran-2-yl]amine","","- C18 H13 N3 O2 -","- C18 H13 N3 O2 -","- C72 H52 N12 O8 -","4","2","","B, Rajarathinam; Kandhasamy, kumaravel; Gnanasambandam, Vasuki","Green Chemistry Oriented Multi-Component Strategy to Hybrid Heterocycle","RSC Adv.","2016","","","","","10.1039/C6RA11543H","","","0.71073","MoKα","","0.0668","0.0437","","","0.1243","0.141","","","","","","0.906","","","","has coordinates","184701","2020-10-21","18:00:00",""
"7226060","8.5442","0.0011","9.0229","0.0011","12.0114","0.0011","75.054","0.009","69.757","0.01","76.217","0.011","827.99","0.18","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","(trans-7,7a)-5-amino-2-methyl-1,3-dioxo-7-(p-tolyl)-2,3,7,7a-tetrahydro-1H-pyrrolo[1,2-c]imidazole-6-carbonitrile","","- C18 H14 Cl N3 O3 -","- C18 H14 Cl N3 O3 -","- C36 H28 Cl2 N6 O6 -","2","1","","B, Rajarathinam; Kandhasamy, kumaravel; Gnanasambandam, Vasuki","Green Chemistry Oriented Multi-Component Strategy to Hybrid Heterocycle","RSC Adv.","2016","","","","","10.1039/C6RA11543H","","","0.71073","MoKα","","0.0489","0.0373","","","0.1085","0.124","","","","","","0.606","","","","has coordinates","184701","2020-10-21","18:00:00",""
"7226061","8.712","0.0017","9.422","0.002","12.348","0.003","68","0.02","70.789","0.019","71.259","0.003","864.4","0.4","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","(4S)-2-amino-4-[(3R)-2-oxo-3,3a,4,5,6,7-hexahydro-2H-indol-3-yl]-6-[(oxoimino)-$l^{1}-oxidanyl]-4a,5,6,7,8,8a-hexahydro-4H-chromene-3-carbonitrile","","- C18 H12 N4 O4 -","- C18 H12 N4 O4 -","- C36 H24 N8 O8 -","2","1","","B, Rajarathinam; Kandhasamy, kumaravel; Gnanasambandam, Vasuki","Green Chemistry Oriented Multi-Component Strategy to Hybrid Heterocycle","RSC Adv.","2016","","","","","10.1039/C6RA11543H","","","0.71073","MoKα","","0.1381","0.0715","","","0.1809","0.229","","","","","","0.99","","","","has coordinates","184701","2020-10-21","18:00:00",""
"7226062","11.483","0.002","10.012","0.002","25.315","0.005","90","","90","","90","","2910.4","1","173.15","","173.15","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C18 H17 N O3 -","- C18 H17 N O3 -","- C144 H136 N8 O24 -","8","1","","Guo, Hongchao; Wu, Yang; Liu, Honglei; Zhang, Lei; Sun, Zhanhu; Xiao, Yumei; Huang, Jiaxing; Wang, Min","Ag-Catalyzed Diastereoselective [6+3] Cycloaddition of Tropone with Homoserine Lactone-Derived Azomethine Ylides: Synthesis of Tricyclic Spiropiperidine","RSC Adv.","2016","","","","","10.1039/C6RA14018A","","","0.71073","MoKα","","0.0828","0.0692","","","0.1149","0.1199","","","","","","1.217","","","","has coordinates","184702","2020-10-21","18:00:00",""
"7226063","11.3978","0.001","14.654","0.0012","21.3097","0.0019","90","","90","","90","","3559.2","0.5","99.8","","99.8","","","","","","","","Penicillium purpurogenum G59","4","P 21 21 21","P 2ac 2ab","19","","Penicimutamide A","","- C21 H23 N3 O3 -","- C21 H23 N3 O3 -","- C168 H184 N24 O24 -","8","2","","Li, Chang-Wei; Wu, Chang-Jing; Cui, Cheng-Bin; Xu, Lan-Lan; Cao, Fei; Zhu, Huajie","Penicimutamides A‒C: Rare Carbamate-containing Alkaloids from a Mutant of the Marine-derived Penicillium purpurogenum G59","RSC Adv.","2016","","","","","10.1039/C6RA14904A","","","1.5418","CuKα","","0.0584","0.0558","","","0.1327","0.1346","","","","","","1.075","","","","has coordinates","184703","2020-10-21","18:00:00",""
"7226064","11.382","0.002","9.834","0.002","14.321","0.003","90","","109.4","0.03","90","","1511.9","0.6","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","(E)-N-(2-fluoro-2-(1H-imidazol-1-yl)vinyl)-1,1-diphenylmethanimine","","- C18 H14 F N3 -","- C18 H14 F N3 -","- C72 H56 F4 N12 -","4","1","","Zhang, Donghua; Liu, Haihua; Zhu, Pengcheng; Meng, Weidong; Huang, Yangen","One-pot syntheses of N-(α-fluorovinyl)azole derivatives from N-(diphenylmethylene)-2,2,2-trifluoroethanamine","RSC Adv.","2016","","","","","10.1039/C6RA12187J","","","1.54178","CuKα","","0.0496","0.0486","","","0.1178","0.119","","","","","","1.079","","","","has coordinates","184704","2020-10-21","18:00:00",""
"7226065","10.6743","0.0011","15.6272","0.0017","18.068","0.002","90","","97.609","0.003","90","","2987.4","0.6","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","[Ni2(NO3)3(L-chloro)](H2O)0.7","","","- C24 H29.4 Cl N7 Ni2 O10.7 -","- C24 H29.4 Cl N7 Ni2 O10.7 -","- C96 H117.6 Cl4 N28 Ni8 O42.8 -","4","1","","Das, Debasis; Sanyal, Ria; Zhang, Xuepeng; Chakraborty, Prateeti; Mautner, Franz Andreas; Zhao, Cunyuan","Role of para-substitution in controlling phosphatase activity of dinuclear NiII complexes of Mannich-base ligands: experimental and DFT studies\","RSC Adv.","2016","","","","","10.1039/C6RA08705A","","","0.71073","MoKα","","0.0462","0.0352","","","0.0979","0.1044","","","","","","1.048","","","","has coordinates","204137","2020-10-21","18:00:00",""
"7226066","10.6333","0.0013","15.63","0.002","18.033","0.002","90","","97.823","0.002","90","","2969.2","0.6","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","[Ni2(NO3)3(l-methyl)]","","","- C25 H31 N7 Ni2 O10 -","- C25 H31 N7 Ni2 O10 -","- C100 H124 N28 Ni8 O40 -","4","1","","Das, Debasis; Sanyal, Ria; Zhang, Xuepeng; Chakraborty, Prateeti; Mautner, Franz Andreas; Zhao, Cunyuan","Role of para-substitution in controlling phosphatase activity of dinuclear NiII complexes of Mannich-base ligands: experimental and DFT studies†","RSC Adv.","2016","","","","","10.1039/C6RA08705A","","","0.71073","MoKα","","0.0675","0.0443","","","0.1178","0.1316","","","","","","1.052","","","","has coordinates","184705","2020-10-21","18:00:00",""
"7226067","10.6714","0.0016","16.421","0.002","18.43","0.003","90","","95.785","0.002","90","","3213.1","0.8","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","[Ni2(NO3)3(L-isopropyl)](H2O)0.80","","","- C27 H36.6 N7 Ni2 O10.8 -","- C27 H36.6 N7 Ni2 O10.8 -","- C108 H146.4 N28 Ni8 O43.2 -","4","1","","Das, Debasis; Sanyal, Ria; Zhang, Xuepeng; Chakraborty, Prateeti; Mautner, Franz Andreas; Zhao, Cunyuan","Role of para-substitution in controlling phosphatase activity of dinuclear NiII complexes of Mannich-base ligands: experimental and DFT studies†","RSC Adv.","2016","","","","","10.1039/C6RA08705A","","","0.71073","MoKα","","0.0412","0.0331","","","0.0887","0.094","","","","","","1.027","","","","has coordinates","184705","2020-10-21","18:00:00",""
"7226068","14.148","0.0005","15.3628","0.0005","17.1155","0.0006","90","","111.275","0.001","90","","3466.6","0.2","296","2","296","2","","","","","","","","5","C 1 c 1","C -2yc","9","[Ni2(NO3)3)(L-t-butyl)]","","","- C28 H37 N7 Ni2 O10 -","- C28 H37 N7 Ni2 O10 -","- C112 H148 N28 Ni8 O40 -","4","1","","Das, Debasis; Sanyal, Ria; Zhang, Xuepeng; Chakraborty, Prateeti; Mautner, Franz Andreas; Zhao, Cunyuan","Role of para-substitution in controlling phosphatase activity of dinuclear NiII complexes of Mannich-base ligands: experimental and DFT studies†","RSC Adv.","2016","","","","","10.1039/C6RA08705A","","","0.71073","MoKα","","0.0481","0.0398","","","0.1068","0.1117","","","","","","1.046","","","","has coordinates","184705","2020-10-21","18:00:00",""
"7226069","7.4515","0.0015","11.579","0.002","19.631","0.003","90","","97.168","0.006","90","","1680.5","0.5","293","","293","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C15 H16 N O P S3 -","- C15 H16 N O P S3 -","- C60 H64 N4 O4 P4 S12 -","4","1","","Groves, Brandon R.; Smithen, Deborah A.; Cameron, T. Stanley; Thompson, Alison","Thionation reactions of 2-pyrrole carboxylates","RSC Adv.","2016","6","74","69691","","10.1039/C6RA14809C","","","0.71075","MoKα","","","0.0292","","","","0.0357","","","","","","1.096","","","","has coordinates","184706","2020-10-21","18:00:00",""
"7226070","7.215","0.002","8.581","0.003","9.903","0.002","103.094","0.009","93.329","0.0016","112.892","0.009","542.8","0.3","293","","293","","","","","","","","","5","P -1","-P 1","2","","","","- C10 H15 N O S -","- C10 H15 N O S -","- C20 H30 N2 O2 S2 -","2","1","","Groves, Brandon R.; Smithen, Deborah A.; Cameron, T. Stanley; Thompson, Alison","Thionation reactions of 2-pyrrole carboxylates","RSC Adv.","2016","6","74","69691","","10.1039/C6RA14809C","","","0.71075","MoKα","","","0.0446","","","","0.0404","","","","","","1.062","","","","has coordinates","184706","2020-10-21","18:00:00",""
"7226071","7.2351","0.0006","16.6785","0.0014","11.8701","0.001","90","","98.682","0.004","90","","1416","0.2","293","","293","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C15 H19 B F2 N2 -","- C15 H19 B F2 N2 -","- C60 H76 B4 F8 N8 -","4","1","","Groves, Brandon R.; Smithen, Deborah A.; Cameron, T. Stanley; Thompson, Alison","Thionation reactions of 2-pyrrole carboxylates","RSC Adv.","2016","6","74","69691","","10.1039/C6RA14809C","","","0.71075","MoKα","","","0.0485","","","","0.0576","","","","","","1.089","","","","has coordinates","184706","2020-10-21","18:00:00",""
"7226072","39.8","0.002","17.276","0.0006","30.452","0.002","90","","121.745","0.004","90","","17805.9","1.8","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","Complex 1","","- C172 H136 Cr6 N8 Na O26 -","- C172 H136 Cr6 N8 Na O26 -","- C688 H544 Cr24 N32 Na4 O104 -","4","0.5","","Jones, Leigh Fon; Comar, Priyanka; Pitak, Mateusz; Coles, Simon; G. Ryder, Alan; Piligkos, Stergios; Brechin, Euan K.; Houton, Edel","Solvothermal Synthesis of Discrete Cages and Extended Networks Comprising {Cr(III)3O(O2CR)3(oxime)3}2- (R = H, CH3, C(CH3)3, C14H9) Building Blocks.","RSC Adv.","2016","","","","","10.1039/C6RA14811E","","","0.7107","MoKα","","0.2936","0.1343","","","0.3164","0.4039","","","","","","0.992","","","","has coordinates","184718","2020-10-21","18:00:00",""
"7226073","15.5335","0.0005","15.5335","0.0005","36.608","0.002","90","","90","","120","","7649.7","0.5","150","3","150","3","","","","","","","","6","R -3 :H","-R 3","148","[Na2Cr3]n","complex 5","","- C36 H39 Cr3 N6 Na3 O19 -","- C36 H39 Cr3 N6 Na3 O19 -","- C216 H234 Cr18 N36 Na18 O114 -","6","0.333333","","Jones, Leigh Fon; Comar, Priyanka; Pitak, Mateusz; Coles, Simon; G. Ryder, Alan; Piligkos, Stergios; Brechin, Euan K.; Houton, Edel","Solvothermal Synthesis of Discrete Cages and Extended Networks Comprising {Cr(III)3O(O2CR)3(oxime)3}2- (R = H, CH3, C(CH3)3, C14H9) Building Blocks.","RSC Adv.","2016","","","","","10.1039/C6RA14811E","","","0.7107","MoKα","","0.0523","0.0473","","","0.1281","0.1304","","","","","","1.146","","","","has coordinates","184718","2020-10-21","18:00:00",""
"7226074","17.8061","0.0018","12.4863","0.0014","22.4726","0.0018","90","","91.553","0.009","90","","4994.5","0.9","193","0.9","193","0.9","","","","","","","","6","P 1 21/n 1","-P 2yn","14","[Na3Cr6]-(2)","complex 2","","- C96 H88 Cr6 N12 Na2 O30 -","- C96 H78 Cr6 N12 Na2 O30 -","- C192 H156 Cr12 N24 Na4 O60 -","2","0.5","","Jones, Leigh Fon; Comar, Priyanka; Pitak, Mateusz; Coles, Simon; G. Ryder, Alan; Piligkos, Stergios; Brechin, Euan K.; Houton, Edel","Solvothermal Synthesis of Discrete Cages and Extended Networks Comprising {Cr(III)3O(O2CR)3(oxime)3}2- (R = H, CH3, C(CH3)3, C14H9) Building Blocks.","RSC Adv.","2016","","","","","10.1039/C6RA14811E","","","0.71073","MoKα","","0.2046","0.0967","","","0.2249","0.302","","","","","","1.035","","","","has coordinates","184718","2020-10-21","18:00:00",""
"7226075","26.9779","0.0012","26.9779","0.0012","71.622","0.004","90","","90","","120","","45143","4","150","2","150","2","","","","","","","","6","R -3 c :H","-R 3 2""c","167","[Na4Cr6]-3","complex 3","","- C132 H198 Cr6 N12 Na4 O26 -","- C132 H198 Cr6 N12 Na4 O26 -","- C1584 H2376 Cr72 N144 Na48 O312 -","12","0.333333","","Jones, Leigh Fon; Comar, Priyanka; Pitak, Mateusz; Coles, Simon; G. Ryder, Alan; Piligkos, Stergios; Brechin, Euan K.; Houton, Edel","Solvothermal Synthesis of Discrete Cages and Extended Networks Comprising {Cr(III)3O(O2CR)3(oxime)3}2- (R = H, CH3, C(CH3)3, C14H9) Building Blocks.","RSC Adv.","2016","","","","","10.1039/C6RA14811E","","","0.7107","MoKα","","0.1972","0.0907","","","0.1937","0.2509","","","","","","1.02","","","","has coordinates,has disorder","291143","2024-04-09","08:49:55",""
"7226076","26.3193","0.0011","13.1295","0.0005","22.7708","0.0012","90","","113.736","0.005","90","","7203","0.6","149.8","0.3","149.8","0.3","","","","","","","","6","I 1 2/a 1","-I 2ya","15","[Na3Cr6]-4","complex 4","","- C62 H66 Cr6 N7 Na3 O27 -","- C62 H63 Cr6 N7 Na3 O27 -","- C248 H252 Cr24 N28 Na12 O108 -","4","0.5","","Jones, Leigh Fon; Comar, Priyanka; Pitak, Mateusz; Coles, Simon; G. Ryder, Alan; Piligkos, Stergios; Brechin, Euan K.; Houton, Edel","Solvothermal Synthesis of Discrete Cages and Extended Networks Comprising {Cr(III)3O(O2CR)3(oxime)3}2- (R = H, CH3, C(CH3)3, C14H9) Building Blocks.","RSC Adv.","2016","","","","","10.1039/C6RA14811E","","","0.71073","MoKα","","0.0793","0.0483","","","0.1153","0.1315","","","","","","1.019","","","","has coordinates","184718","2020-10-21","18:00:00",""
"7226077","18.455","0.002","7.7589","0.001","18.858","0.003","90","","100.279","0.003","90","","2656.9","0.6","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C29 H35 N O7 -","- C29 H35 N O7 -","- C116 H140 N4 O28 -","4","1","","Voskressensky, Leonid; Borisova, Tatiana N.; Matveeva, Maria; Khrustalev, Victor N.; Aksenov, Alexander V.; Titov, Alexander A.; Vartanova, Anna; Varlamov, Alexey V.","Novel Multi-Component Approach to the Synthesis of Pyrrolo[2,1-a]isoquinoline Derivatives","RSC Adv.","2016","","","","","10.1039/C6RA15810B","","","0.71073","MoKα","","0.1214","0.0815","","","0.1912","0.2195","","","","","","1.001","","","","has coordinates,has disorder","184719","2020-10-21","18:00:00",""
"7226078","15.656","0.005","6.3323","0.0019","23.814","0.007","90","","91.342","0.003","90","","2360.2","1.2","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C3 H11 Li N14 O3 -","- C3 H11 Li N14 O3 -","- C24 H88 Li8 N112 O24 -","8","1","","Zhang, Zhibin; Xu, Caixia; Yin, Lei; Wang, Zhen; Yin, Xin; Zhang, Jianguo","Synthesis, Crystal Structure and Properties of a New 1D Polymeric Nitrogen-Rich Energetic Complex {TAG[Li(BTO)(H2O)]}n based on 1H,1'H-5,5'-bitetrazole-1,1'-diolate (BTO)","RSC Adv.","2016","","","","","10.1039/C6RA12649A","","","0.71073","MoKα","","0.0733","0.0563","","","0.1524","0.1656","","","","","","1.074","","","","has coordinates","184720","2020-10-21","18:00:00",""
"7226079","12.094","0.002","9.4445","0.0019","14.894","0.003","90","","107.25","0.03","90","","1624.7","0.6","295","2","295","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C16 H15 I O3 S -","- C16 H15 I O3 S -","- C64 H60 I4 O12 S4 -","4","1","","Wan, Jie-Ping; Hu, Deqing; Bai, Feicheng; Wei, Li; Liu, Yunyun","Stereoselective Z-halosulfonylation of terminal alkynes using sulfonohydrazides and CuX (X = Cl, Br, I)","RSC Adv.","2016","","","","","10.1039/C6RA13737G","","","0.71073","MoKα","","0.0452","0.04","","","0.101","0.11","","","","","","1.096","","","","has coordinates","184721","2020-10-21","18:00:00",""
"7226080","17.326","0.003","17.185","0.003","11.37","0.002","90","","108.741","0.002","90","","3205.9","1","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C19 H12 Br F N2 O -","- C19 H12 Br F N2 O -","- C152 H96 Br8 F8 N16 O8 -","8","1","","Xu, Hui; Zhou, Pan; Zhou, Bei; Zhou, Jie; Shen, Yuehai; Lu, Ling-Ling; Yu, Fu-Chao","Convenient one-step synthesis of pyrrolo[3,4-c]quinolin-1-ones via TMSCl-catalyzed cascade reactions of isatins and β-enamino ketones","RSC Adv.","2016","","","","","10.1039/C6RA15492A","","","0.71073","MoKα","","0.1492","0.048","","","0.1003","0.1347","","","","","","0.919","","","","has coordinates","184722","2020-10-21","18:00:00",""
"7226081","8.7424","0.0003","11.0479","0.0004","13.085","0.0004","71.61","0.003","83.241","0.003","85.831","0.003","1190.09","0.07","173","0.1","173","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C16 H24 Ag F6 N12 P -","- C16 H24 Ag F6 N12 P -","- C32 H48 Ag2 F12 N24 P2 -","2","1","","Huo, Jian Zhong; Su, Xiu Mei; Wu, Xiang Xia; Liu, Yuan Yuan; Ding, Bin","Hydrothermal synthesis and characterization of a series of luminescent Ag(i) coordination polymers with two new multidentate bis-(1,2,3-triazole) ligands: structural diversity, polymorphism and photoluminescent sensing","CrystEngComm","2016","18","35","6640","","10.1039/C6CE01275B","","x-ray","1.54184","CuKα","","0.0452","0.0391","","","0.0912","0.0967","","","","","","1.032","","","","has coordinates","186349","2020-10-21","18:00:00",""
"7226082","9.4022","0.0005","9.0007","0.0006","21.7341","0.0012","90","","95.977","0.005","90","","1829.28","0.19","100","0.1","100","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C24 H36 Ag2 B2 F8 N18 -","- C24 H36 Ag2 B2 F8 N18 -","- C48 H72 Ag4 B4 F16 N36 -","2","0.5","","Huo, Jian Zhong; Su, Xiu Mei; Wu, Xiang Xia; Liu, Yuan Yuan; Ding, Bin","Hydrothermal synthesis and characterization of a series of luminescent Ag(i) coordination polymers with two new multidentate bis-(1,2,3-triazole) ligands: structural diversity, polymorphism and photoluminescent sensing","CrystEngComm","2016","18","35","6640","","10.1039/C6CE01275B","","x-ray","1.54184","CuKα","","0.0856","0.0769","","","0.2059","0.2168","","","","","","1.074","","","","has coordinates","186349","2020-10-21","18:00:00",""
"7226083","9.33","0.0007","8.9872","0.0007","22.964","0.002","90","","97.11","0.007","90","","1910.7","0.3","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C24 H36 Ag2 F12 N18 P2 -","- C24 H36 Ag2 F12 N18 P2 -","- C48 H72 Ag4 F24 N36 P4 -","2","0.5","","Huo, Jian Zhong; Su, Xiu Mei; Wu, Xiang Xia; Liu, Yuan Yuan; Ding, Bin","Hydrothermal synthesis and characterization of a series of luminescent Ag(i) coordination polymers with two new multidentate bis-(1,2,3-triazole) ligands: structural diversity, polymorphism and photoluminescent sensing","CrystEngComm","2016","18","35","6640","","10.1039/C6CE01275B","","","1.54184","CuKα","","0.1338","0.1082","","","0.275","0.2995","","","","","","1.07","","","","has coordinates,has disorder","186349","2020-10-21","18:00:00",""
"7226084","5.5307","0.0003","13.1818","0.0007","12.0644","0.0006","90","","94.618","0.005","90","","876.69","0.08","173","0.1","173","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C10 H16 Ag2 N8 O6 -","- C10 H16 Ag2 N8 O6 -","- C20 H32 Ag4 N16 O12 -","2","0.5","","Huo, Jian Zhong; Su, Xiu Mei; Wu, Xiang Xia; Liu, Yuan Yuan; Ding, Bin","Hydrothermal synthesis and characterization of a series of luminescent Ag(i) coordination polymers with two new multidentate bis-(1,2,3-triazole) ligands: structural diversity, polymorphism and photoluminescent sensing","CrystEngComm","2016","18","35","6640","","10.1039/C6CE01275B","","x-ray","0.71073","MoKα","","0.0425","0.0343","","","0.0743","0.0806","","","","","","1.069","","","","has coordinates","186349","2020-10-21","18:00:00",""
"7226085","7.5701","0.0003","10.994","0.0005","12.2207","0.0006","110.593","0.004","98.841","0.004","103.512","0.004","894.11","0.08","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C24 H36 Ag2 B2 F8 N18 -","- C24 H36 Ag2 B2 F8 N18 -","- C24 H36 Ag2 B2 F8 N18 -","1","0.5","","Huo, Jian Zhong; Su, Xiu Mei; Wu, Xiang Xia; Liu, Yuan Yuan; Ding, Bin","Hydrothermal synthesis and characterization of a series of luminescent Ag(i) coordination polymers with two new multidentate bis-(1,2,3-triazole) ligands: structural diversity, polymorphism and photoluminescent sensing","CrystEngComm","2016","18","35","6640","","10.1039/C6CE01275B","","","0.71073","MoKα","","0.0742","0.0618","","","0.1484","0.1612","","","","","","1.029","","","","has coordinates,has disorder","186349","2020-10-21","18:00:00",""
"7226086","21.5319","0.0019","3.7406","0.0003","19.509","0.0018","90","","122.552","0.002","90","","1324.5","0.2","298","2","298","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C6 H10 N16 O2 -","- C6 H10 N16 O2 -","- C24 H40 N64 O8 -","4","0.5","","Zhang, Zhibin; Li, Tong; Yin, Lei; Yin, Xin; Zhang, Jianguo","A novel insensitive cocrystal explosive BTO/ATZ: preparation and performance","RSC Adv.","2016","","","","","10.1039/C6RA14510H","","","0.71073","MoKα","","0.0499","0.0412","","","0.1141","0.1227","","","","","","1.064","","","","has coordinates","184746","2020-10-21","18:00:00",""
"7226087","11.84","0.005","10.52","0.005","23.1","0.005","90","0.005","96.951","0.005","90","0.005","2856.1","1.9","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C32 H30 N4 O6 -","- C32 H30 N4 O6 -","- C128 H120 N16 O24 -","4","1","","Ghorai, Anupam; Mondal, Jahangir; Chandra, Rukmani; Patra, Goutam K.","A reversible fluorescent-colorimetric chemosensor based on a novel Schiff base for visual detection of CO32−in aqueous solution","RSC Adv.","2016","6","76","72185","","10.1039/C5RA24549D","","","0.71073","MoKα","","0.1756","0.0963","","","0.2211","0.286","","","","","","1.088","","","","has coordinates","184747","2020-10-21","18:00:00",""
"7226088","24.0967","0.0004","18.4666","0.0003","37.614","0.0007","90","","94.2641","0.0016","90","","16691.3","0.5","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C110 H100 N18 O29 Zn4 -","- C110 H98 N18 O29 Zn4 -","- C440 H392 N72 O116 Zn16 -","4","0.5","","Meng, Jiang Ping; Gong, Yun; Lin, Jianhua","Enhanced Photocurrent Response on a CdTe Incorporated Coordination Polymer Based on 3-(3-(1H-Imidazol-1-yl)phenyl)-5-(4-(1H-imidazol-1-yl)phenyl)-1-methyl-1H-1,2,4-triazole","RSC Adv.","2016","","","","","10.1039/C6RA11641H","","","1.54184","CuKα","","0.1022","0.0863","","","0.2602","0.2744","","","","","","1.108","","","","has coordinates","184748","2020-10-21","18:00:00",""
"7226089","12.4187","0.0008","12.4583","0.0009","15.3064","0.001","89.211","0.002","77.87","0.001","77.566","0.001","2259.7","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C81 H71 Cd2 N17 O13 -","- C81 H71 Cd2 N17 O13 -","- C81 H71 Cd2 N17 O13 -","1","0.5","","Meng, Jiang Ping; Gong, Yun; Lin, Jianhua","Enhanced Photocurrent Response on a CdTe Incorporated Coordination Polymer Based on 3-(3-(1H-Imidazol-1-yl)phenyl)-5-(4-(1H-imidazol-1-yl)phenyl)-1-methyl-1H-1,2,4-triazole","RSC Adv.","2016","","","","","10.1039/C6RA11641H","","","0.71073","MoKα","","0.0816","0.0605","","","0.1641","0.1817","","","","","","1.066","","","","has coordinates","184748","2020-10-21","18:00:00",""
"7226090","15.9806","0.0019","5.8569","0.0007","22.172","0.003","90","","109.263","0.008","90","","1959","0.4","93","","93","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C46 H36 Cl4 N6 -","- C46 H36 Cl4 N6 -","- C92 H72 Cl8 N12 -","2","0.5","","Akune, Yoko; Hirosawa, Risa; Takahashi, Hiromi; Shiro, Motoo; Matsumoto, Shinya","Role of flexible bulky groups and weak interactions involving halogens in the vapoluminescence of a metal-free dye","RSC Adv.","2016","","","","","10.1039/C6RA15966D","","","1.54187","CuKα","","0.0708","0.0535","","","0.1399","0.15","","","","","","1.019","","","","has coordinates","184756","2020-10-21","18:00:00",""
"7226091","17.3383","0.0007","7.7724","0.0003","15.5015","0.0006","90","","90","","90","","2088.99","0.14","296","2","296","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C22 H14 N4 O9 Zn2 -","- C22 H16 N4 O9 Zn2 -","- C88 H64 N16 O36 Zn8 -","4","0.5","","Zhang, Xiutang; Fan, Liming; Fan, Weiliu; Li, Bin; Liu, Guangzeng; Liu, Xinzheng; Zhao, Xian","Structural diversity, luminescence and photocatalytic properties of six coordination polymers based on designed bifunctional 2-(imidazol-1-yl)terephthalic acid","CrystEngComm","2016","18","36","6914","","10.1039/C6CE01296E","","","0.71073","MoKα","","0.0303","0.0291","","","0.0838","0.0852","","","","","","1.064","","","","has coordinates,has disorder","187041","2020-10-21","18:00:00",""
"7226092","17.3409","0.0006","7.7719","0.0003","15.5112","0.0006","90","","90","","90","","2090.47","0.14","296","2","296","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C22 H14 Mn2 N4 O9 -","- C22 H12 Mn2 N4 O9 -","- C88 H48 Mn8 N16 O36 -","4","0.5","","Zhang, Xiutang; Fan, Liming; Fan, Weiliu; Li, Bin; Liu, Guangzeng; Liu, Xinzheng; Zhao, Xian","Structural diversity, luminescence and photocatalytic properties of six coordination polymers based on designed bifunctional 2-(imidazol-1-yl)terephthalic acid","CrystEngComm","2016","18","36","6914","","10.1039/C6CE01296E","","","0.71073","MoKα","","0.054","0.0531","","","0.1665","0.1679","","","","","","1.116","","","","has coordinates","187041","2020-10-21","18:00:00",""
"7226093","15.2246","0.0008","7.3657","0.0004","16.7773","0.0009","90","","106.831","0.002","90","","1800.81","0.17","296","2","296","2","","","","","","","","5","P 1 2/n 1","-P 2yac","13","","","","- C34 H28 N8 O11 Zn2 -","- C34 H28 N8 O11 Zn2 -","- C68 H56 N16 O22 Zn4 -","2","0.5","","Zhang, Xiutang; Fan, Liming; Fan, Weiliu; Li, Bin; Liu, Guangzeng; Liu, Xinzheng; Zhao, Xian","Structural diversity, luminescence and photocatalytic properties of six coordination polymers based on designed bifunctional 2-(imidazol-1-yl)terephthalic acid","CrystEngComm","2016","18","36","6914","","10.1039/C6CE01296E","","","0.71073","MoKα","","0.0631","0.0419","","","0.1152","0.1245","","","","","","1.03","","","","has coordinates","187041","2020-10-21","18:00:00",""
"7226094","7.3222","0.0003","25.5967","0.001","10.3654","0.0004","90","","99.32","0.001","90","","1917.08","0.13","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C17 H19 N4 Ni O8 -","- C17 H19 N4 Ni O8 -","- C68 H76 N16 Ni4 O32 -","4","1","","Zhang, Xiutang; Fan, Liming; Fan, Weiliu; Li, Bin; Liu, Guangzeng; Liu, Xinzheng; Zhao, Xian","Structural diversity, luminescence and photocatalytic properties of six coordination polymers based on designed bifunctional 2-(imidazol-1-yl)terephthalic acid","CrystEngComm","2016","18","36","6914","","10.1039/C6CE01296E","","","0.71073","MoKα","","0.0344","0.0325","","","0.0773","0.0785","","","","","","1.035","","","","has coordinates","187041","2020-10-21","18:00:00",""
"7226095","15.566","0.003","6.9981","0.0014","17.643","0.004","90","","107.99","0.03","90","","1827.9","0.7","296","2","296","2","","","","","","","","5","P 1 2/n 1","-P 2yac","13","","","","- C36 H27 N8 O9 Zn2 -","- C36 H27 N8 O9 Zn2 -","- C72 H54 N16 O18 Zn4 -","2","0.5","","Zhang, Xiutang; Fan, Liming; Fan, Weiliu; Li, Bin; Liu, Guangzeng; Liu, Xinzheng; Zhao, Xian","Structural diversity, luminescence and photocatalytic properties of six coordination polymers based on designed bifunctional 2-(imidazol-1-yl)terephthalic acid","CrystEngComm","2016","18","36","6914","","10.1039/C6CE01296E","","","0.71073","MoKα","","0.0526","0.0394","","","0.1039","0.1115","","","","","","1.038","","","","has coordinates","187041","2020-10-21","18:00:00",""
"7226096","29.9762","0.0012","6.7809","0.0003","21.3475","0.0009","90","","121.734","0.001","90","","3690.5","0.3","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C18 H17 Cd N4 O6 -","- C18 H17 Cd N4 O6 -","- C144 H136 Cd8 N32 O48 -","8","1","","Zhang, Xiutang; Fan, Liming; Fan, Weiliu; Li, Bin; Liu, Guangzeng; Liu, Xinzheng; Zhao, Xian","Structural diversity, luminescence and photocatalytic properties of six coordination polymers based on designed bifunctional 2-(imidazol-1-yl)terephthalic acid","CrystEngComm","2016","18","36","6914","","10.1039/C6CE01296E","","","0.71073","MoKα","","0.0288","0.0256","","","0.0728","0.0839","","","","","","1.067","","","","has coordinates","187041","2020-10-21","18:00:00",""
"7226097","16.7407","0.0006","9.5561","0.0003","16.5918","0.0006","90","","90.525","0.003","90","","2654.18","0.16","120","2","120","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C20 H30 N4 O18 -","- C20 H30 N4 O18 -","- C80 H120 N16 O72 -","4","0.5","","Kerr, Hannah E.; Mason, Helen E.; Sparkes, Hazel A.; Hodgkinson, Paul","Testing the limits of NMR crystallography: the case of caffeine‒citric acid hydrate","CrystEngComm","2016","18","35","6700","","10.1039/C6CE01453D","","","0.71073","MoKα","","0.063","0.0457","","","0.1","0.1108","","","","","","1.05","","","","has coordinates,has disorder","186351","2020-10-21","18:00:00",""
"7226098","7.8642","0.0008","4.0675","0.0003","14.5155","0.0013","90","","96.896","0.008","90","","460.96","0.07","120","2","120","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","dimethyl (2R,5S,E)-2,5-dihydroxyhex-3-enedioate","","- C8 H12 O6 -","- C8 H12 O6 -","- C16 H24 O12 -","2","0.5","","Sølvhøj, Amanda; Taarning, Esben; Madsen, Robert","Methyl vinyl glycolate as a diverse platform molecule","Green Chem.","2016","18","20","5448","","10.1039/C6GC01556E","","x-ray","1.54184","CuKα","","0.06","0.0553","","","0.1654","0.1685","","","","","","1.268","","","","has coordinates","188251","2020-10-21","18:00:00",""
"7226099","11.1742","0.0007","9.5722","0.0006","34.645","0.002","90","","90","","90","","3705.7","0.4","200","2","200","2","","","","","","","Synthesized","6","P b c a","-P 2ac 2ab","61","thioester","S-phenyl 2-(5-bromo-3-(dicyanomethyl)-2-oxoindolin-3-yl)ethanethioate","","- C19 H12 Br N3 O2 S -","- C19 H12 Br N3 O2 S -","- C152 H96 Br8 N24 O16 S8 -","8","1","","Guo, Yi-Lin; Li, Yu-Hsun; Chang, Hsuan-Hao; Kuo, Ting-Shen; Han, Jeng-Liang","Molecular sieve mediated sequential Knoevenagel condensation/decarboxylative Michael addition reaction: an efficient and mild condition for the synthesis of 3,3-disubstituted oxindoles with all carbon quaternary center","RSC Adv.","2016","","","","","10.1039/C6RA16975A","","","0.71073","MoKα","","0.0418","0.0308","","","0.0941","0.1013","","","","","","1.055","","","","has coordinates","184790","2020-10-21","18:00:00",""
"7226100","8.9365","0.0008","10.0229","0.0009","10.5846","0.001","72.612","0.001","68.351","0.001","78.586","0.001","836.8","0.13","296","2","296","2","","","","","","","Synthesized","5","P -1","-P 1","2","ketone","2-(5-bromo-2-oxo-3-(2-oxo-2-phenylethyl)indolin-3-yl)malononitrile","","- C19 H12 Br N3 O2 -","- C19 H12 Br N3 O2 -","- C38 H24 Br2 N6 O4 -","2","1","","Guo, Yi-Lin; Li, Yu-Hsun; Chang, Hsuan-Hao; Kuo, Ting-Shen; Han, Jeng-Liang","Molecular sieve mediated sequential Knoevenagel condensation/decarboxylative Michael addition reaction: an efficient and mild condition for the synthesis of 3,3-disubstituted oxindoles with all carbon quaternary center","RSC Adv.","2016","","","","","10.1039/C6RA16975A","","","0.71073","MoKα","","0.038","0.0283","","","0.0624","0.0658","","","","","","1.037","","","","has coordinates","184790","2020-10-21","18:00:00",""
"7226101","10.7236","0.0003","12.3739","0.0003","14.3134","0.0004","109.83","0.002","111.959","0.003","90.014","0.002","1639.37","0.09","150.01","0.1","150.01","0.1","","","","","","","","4","P -1","-P 1","2","","10-Methyl-9-(4-trifluoromethylphenyl)-9,10-dihydroacridine","","- C42 H32 F6 N2 -","- C42 H32 F6 N2 -","- C84 H64 F12 N4 -","2","1","","Shchepochkin, Alexandr; Chupakhin, Oleg N.; Charushin, Valery; Steglenko, Dmitry; Minkin, Vladimir I.; Rusinov, Gennady; Matern, Anatoly","C-H Functionalization of azines. Anodic dehydroaromatization of 9-(hetero)aryl-9,10-dihydroacridines","RSC Adv.","2016","","","","","10.1039/C6RA17783B","","","0.7107","MoKα","","0.0596","0.0491","","","0.1554","0.17","","","","","","1.021","","","","has coordinates,has disorder","184791","2020-10-21","18:00:00",""
"7226102","5.48181","0.00013","10.7977","0.0002","24.0126","0.0006","90","","95.443","0.002","90","","1414.92","0.06","120.01","0.1","120.01","0.1","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","10-Methyl-9-phenyl-9,10-dihydroacridine","","- C20 H17 N -","- C20 H17 N -","- C80 H68 N4 -","4","1","","Shchepochkin, Alexandr; Chupakhin, Oleg N.; Charushin, Valery; Steglenko, Dmitry; Minkin, Vladimir I.; Rusinov, Gennady; Matern, Anatoly","C-H Functionalization of azines. Anodic dehydroaromatization of 9-(hetero)aryl-9,10-dihydroacridines","RSC Adv.","2016","","","","","10.1039/C6RA17783B","","","0.7107","MoKα","","0.0585","0.0473","","","0.1352","0.1459","","","","","","1","","","","has coordinates","184791","2020-10-21","18:00:00",""
"7226103","10.467","0.005","10.928","0.008","13.713","0.007","90","","99.78","0.04","90","","1545.7","1.6","295","2","295","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","9-(Furan-2-yl)-10-methyl-acridinium tetrafluoroborate","","- C18 H14 B F4 N O -","- C18 H14 B F4 N O -","- C72 H56 B4 F16 N4 O4 -","4","1","","Shchepochkin, Alexandr; Chupakhin, Oleg N.; Charushin, Valery; Steglenko, Dmitry; Minkin, Vladimir I.; Rusinov, Gennady; Matern, Anatoly","C-H Functionalization of azines. Anodic dehydroaromatization of 9-(hetero)aryl-9,10-dihydroacridines","RSC Adv.","2016","","","","","10.1039/C6RA17783B","","","0.71073","MoKα","","0.1589","0.0449","","","0.0393","0.0417","","","","","","0.966","","","","has coordinates,has disorder","184791","2020-10-21","18:00:00",""
"7226104","8.4601","0.0003","10.9097","0.0005","16.1704","0.0006","90","","94.11","0.003","90","","1488.64","0.1","150","2","150","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","10-Methyl-9-(4-aminophenyl)-9,10-dihydroacridine","","- C20 H18 N2 -","- C20 H18 N2 -","- C80 H72 N8 -","4","1","","Shchepochkin, Alexandr; Chupakhin, Oleg N.; Charushin, Valery; Steglenko, Dmitry; Minkin, Vladimir I.; Rusinov, Gennady; Matern, Anatoly","C-H Functionalization of azines. Anodic dehydroaromatization of 9-(hetero)aryl-9,10-dihydroacridines","RSC Adv.","2016","","","","","10.1039/C6RA17783B","","","0.71073","","","0.058199","0.044044","","","","0.133602","","","","","","1.05545","","","","has coordinates","184791","2020-10-21","18:00:00",""
"7226105","15.39","0.003","17.48","0.004","22.77","0.005","100.25","0.03","98.44","0.03","106.11","0.03","5665","3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H21.33 N3 O3.67 V -","- C22 H21.3333 N3 O3.66667 V -","- C264 H256 N36 O44 V12 -","12","6","","Zhang, Yingjie; Fanna, Daniel; Shepherd, Nicholas D.; Karatchevtseva, Inna; Lu, Kim; Kong, Linggen; Price, Jason R.","Dioxo-vanadium(V), oxo-rhenium(V) and dioxo-uranium(VI) complexes with a tridentate Schiff base ligand","RSC Adv.","2016","","","","","10.1039/C6RA12872F","","","0.71074","silicondoublecrystalmonochromatedsynchrotron","","0.0703","0.0605","","","0.1619","0.1703","","","","","","1.034","","","","has coordinates","184795","2020-10-21","18:00:00",""
"7226106","16.838","0.003","20.449","0.004","31.77","0.006","90","","90","","90","","10939","4","100","2","100","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C109 H127 Cl6 N19 O13 Re3 -","- C106 H122 Cl6 N18 O12 Re3 -","- C424 H488 Cl24 N72 O48 Re12 -","4","0.5","","Zhang, Yingjie; Fanna, Daniel; Shepherd, Nicholas D.; Karatchevtseva, Inna; Lu, Kim; Kong, Linggen; Price, Jason R.","Dioxo-vanadium(V), oxo-rhenium(V) and dioxo-uranium(VI) complexes with a tridentate Schiff base ligand","RSC Adv.","2016","","","","","10.1039/C6RA12872F","","","0.71074","silicondoublecrystalmonochromatedsynchrotron","","0.0794","0.0479","","","0.1108","0.1244","","","","","","1.016","","","","has coordinates,has disorder","198632","2020-10-21","18:00:00",""
"7226107","15.416","0.003","15.959","0.003","16.435","0.003","105.45","0.03","113.33","0.03","90.57","0.03","3548.1","1.6","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C66 H76 N11 O21 U2 -","- C66 H72 N11 O21 U2 -","- C132 H144 N22 O42 U4 -","2","1","","Zhang, Yingjie; Fanna, Daniel; Shepherd, Nicholas D.; Karatchevtseva, Inna; Lu, Kim; Kong, Linggen; Price, Jason R.","Dioxo-vanadium(V), oxo-rhenium(V) and dioxo-uranium(VI) complexes with a tridentate Schiff base ligand","RSC Adv.","2016","","","","","10.1039/C6RA12872F","","","0.71074","silicondoublecrystalmonochromatedsynchrotron","","0.0816","0.051","","","0.1153","0.128","","","","","","1.035","","","","has coordinates,has disorder","184795","2020-10-21","18:00:00",""
"7226108","11.447","0.002","15.65","0.003","15.962","0.003","90","","110.58","0.03","90","","2677","1","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C25 H32 N4 O9 U -","- C25 H32 N4 O9 U -","- C100 H128 N16 O36 U4 -","4","1","","Zhang, Yingjie; Fanna, Daniel; Shepherd, Nicholas D.; Karatchevtseva, Inna; Lu, Kim; Kong, Linggen; Price, Jason R.","Dioxo-vanadium(V), oxo-rhenium(V) and dioxo-uranium(VI) complexes with a tridentate Schiff base ligand","RSC Adv.","2016","","","","","10.1039/C6RA12872F","","","0.71074","silicondoublecrystalmonochromatedsynchrotron","","0.0414","0.0371","","","0.0872","0.0891","","","","","","1.134","","","","has coordinates","184795","2020-10-21","18:00:00",""
"7226109","7.5357","0.0006","17.1542","0.0011","10.8286","0.0009","90","","102.802","0.009","90","","1365","0.19","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","MP(DNP)","2,4-dinitrophenol-1-methylpiperidine (1:1)","","- C12 H17 N3 O5 -","- C12 H17 N3 O5 -","- C48 H68 N12 O20 -","4","1","","Panja, Sumit Kumar; Dwivedi, Nidhi; Saha, Satyen","Manipulating the proton transfer process in molecular complexes: synthesis and spectroscopic studies.","Physical chemistry chemical physics : PCCP","2016","18","31","21600","21609","10.1039/c6cp03797f","","","0.71073","MoKα","","0.0976","0.057","","","0.1283","0.1521","","","","","","1.025","","","","has coordinates","184814","2020-10-21","18:00:00",""
"7226110","3.8269","0.0004","15.7916","0.0015","17.2303","0.0016","90","","91.29","","90","","1041.01","0.18","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","2-(naphthalen-1-ylmethylene)malononitrile","2-(naphthalen-1-ylmethylene)malononitrile","","- C14 H8 N2 -","- C14 H8 N2 -","- C56 H32 N8 -","4","1","","Panja, Sumit Kumar; Dwivedi, Nidhi; Saha, Satyen","Manipulating the proton transfer process in molecular complexes: synthesis and spectroscopic studies.","Physical chemistry chemical physics : PCCP","2016","18","31","21600","21609","10.1039/c6cp03797f","","","0.71073","MoKα","","0.08","0.046","","","0.101","0.1224","","","","","","0.986","","","","has coordinates","184814","2020-10-21","18:00:00",""
"7226111","9.271","0.005","8.507","0.005","21.337","0.005","90","0.005","93.69","0.005","90","0.005","1679.3","1.4","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","1H-Chromene","ethyl 2-amino-4-(1-cyano-2-ethoxy-2-oxoethyl)-4H-chromene-3-carboxylate","","- C17 H18 N2 O5 -","- C17 H18 N2 O5 -","- C68 H72 N8 O20 -","4","1","","Panja, Sumit Kumar; Dwivedi, Nidhi; Saha, Satyen","Manipulating the proton transfer process in molecular complexes: synthesis and spectroscopic studies.","Physical chemistry chemical physics : PCCP","2016","18","31","21600","21609","10.1039/c6cp03797f","","","0.71073","MoKα","","0.146","0.0876","","","0.236","0.2815","","","","","","1.061","","","","has coordinates","184814","2020-10-21","18:00:00",""
"7226112","13.4746","0.0008","15.0226","0.0011","16.6745","0.0012","90","","93.667","0.004","90","","3368.4","0.4","133","2","133","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C30 H36 N8 O6 S Zn2 -","- C30 H36 N8 O6 S Zn2 -","- C120 H144 N32 O24 S4 Zn8 -","4","1","","Schmidt, Markus; Görls, Helmar; Plass, Winfried","Facile high-yield synthesis of unsymmetric end-off compartmental double Schiff-base ligands: easy access to mononuclear precursor and unsymmetric dinuclear complexes","RSC Adv.","2016","","","","","10.1039/C6RA16870A","","","0.71073","MoKα","","0.0788","0.0565","","","0.1062","0.1176","","","","","","1.177","","","","has coordinates,has disorder","184815","2020-10-21","18:00:00",""
"7226113","14.831","0.0006","7.6772","0.0003","25.8278","0.0009","90","","93.346","0.001","90","","2935.75","0.19","133","2","133","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C30 H32 N3 Ni O4 P S -","- C30 H32 N3 Ni O4 P S -","- C120 H128 N12 Ni4 O16 P4 S4 -","4","1","","Schmidt, Markus; Görls, Helmar; Plass, Winfried","Facile high-yield synthesis of unsymmetric end-off compartmental double Schiff-base ligands: easy access to mononuclear precursor and unsymmetric dinuclear complexes","RSC Adv.","2016","","","","","10.1039/C6RA16870A","","","0.71073","MoKα","","0.0591","0.0478","","","0.1153","0.1226","","","","","","1.124","","","","has coordinates","184815","2020-10-21","18:00:00",""
"7226114","9.4797","0.0008","28.175","0.002","10.1153","0.0009","90","","104.963","0.0015","90","","2610.1","0.4","103","2","103","2","","","","","","","","8","P 1 21 1","P 2yb","4","","","","- C49 H42 Cl8 N2 O2 P2 Pd2 S2 -","- C49 H42 Cl8 N2 O2 P2 Pd2 S2 -","- C98 H84 Cl16 N4 O4 P4 Pd4 S4 -","2","1","","Tay, Wee Shan; Yang, Xiangyuan; Li, Yongxin; Pullarkat, Sumod A.; Leung, Pak-Hing","Efficient and Stereo-selective Synthesis of Monomeric and Bi-metallic Pincer Complexes Containing Pd-bonded Stereogenic Carbons","RSC Adv.","2016","","","","","10.1039/C6RA16721G","","","0.71073","MoKα","","0.0386","0.0359","","","0.0766","0.078","","","","","","1.043","","","","has coordinates","184816","2020-10-21","18:00:00",""
"7226115","9.7127","0.0005","11.5076","0.0006","12.7323","0.0006","90","","105.963","0.004","90","","1368.21","0.12","103","2","103","2","","","","","","","","8","P 1 21 1","P 2yb","4","","","","- C27 H23 Cl3 N O P Pd S -","- C27 H23 Cl3 N O P Pd S -","- C54 H46 Cl6 N2 O2 P2 Pd2 S2 -","2","1","","Tay, Wee Shan; Yang, Xiangyuan; Li, Yongxin; Pullarkat, Sumod A.; Leung, Pak-Hing","Efficient and Stereo-selective Synthesis of Monomeric and Bi-metallic Pincer Complexes Containing Pd-bonded Stereogenic Carbons","RSC Adv.","2016","","","","","10.1039/C6RA16721G","","","0.71073","MoKα","","0.084","0.0543","","","0.0968","0.1103","","","","","","0.988","","","","has coordinates","184816","2020-10-21","18:00:00",""
"7226116","11.2283","0.0004","20.8486","0.0007","24.0242","0.0009","90","","90","","90","","5623.9","0.3","296","2","296","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C56 H42 O12 -","- C56 H42 O12 -","- C224 H168 O48 -","4","1","","P., Sasikumar; B., Prabha; T. R., Reshmitha; Veluthoor, Sheeba; A. K., Pradeep; K. R., Rohit; P, Dhanya B; V. V., Sivan; M. M., Jithin; N., Anil Kumar; I.G., SHIBI; P, Nisha; K. V., Radhakrishnan","Comparison of antidiabetic potential of (+) and (-)-Hopeaphenol, a pair of enantiomers isolated from Ampelocissus indica (L.) and Vateria indica Linn, with respect to inhibition of digestive enzymes and induction of glucose uptake in L6 myotubes","RSC Adv.","2016","","","","","10.1039/C6RA14334B","","","0.71073","MoKα","","0.1359","0.0698","","","0.1609","0.204","","","","","","1.011","","","","has coordinates","184817","2020-10-21","18:00:00",""
"7226117","11.2315","0.0002","20.8456","0.0005","24.0263","0.0006","90","","90","","90","","5625.2","0.2","296","2","296","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C56 H42 O12 -","- C56 H42 O12 -","- C224 H168 O48 -","4","1","","P., Sasikumar; B., Prabha; T. R., Reshmitha; Veluthoor, Sheeba; A. K., Pradeep; K. R., Rohit; P, Dhanya B; V. V., Sivan; M. M., Jithin; N., Anil Kumar; I.G., SHIBI; P, Nisha; K. V., Radhakrishnan","Comparison of antidiabetic potential of (+) and (-)-Hopeaphenol, a pair of enantiomers isolated from Ampelocissus indica (L.) and Vateria indica Linn, with respect to inhibition of digestive enzymes and induction of glucose uptake in L6 myotubes","RSC Adv.","2016","","","","","10.1039/C6RA14334B","","","0.71073","MoKα","","0.087","0.0617","","","0.1677","0.192","","","","","","1.067","","","","has coordinates","184817","2020-10-21","18:00:00",""
"7226118","10.582","0.002","26.982","0.005","25.802","0.005","90","","94.7","0.03","90","","7342","2","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C73.6 H99.2 N2 O10 W -","- C73.6 H99.2 N2 O10 W -","- C294.4 H396.8 N8 O40 W4 -","4","1","","D'Acunto, Maria Antonietta; Tommasone, Stefano; Talotta, Carmen; Brancatelli, Giovanna; Geremia, Silvano; Valletta, Elena; Marino-Merlo, Francesca; Macchi, Beatrice; Gaeta, Carmine; Neri, Placido; Spinella, Aldo","Installing Tungsten Fischer Carbene Complexes into a Calixarene Framework","RSC Adv.","2016","","","","","10.1039/C6RA17326H","","","0.7","","","0.0335","0.0302","","","0.0795","0.081","","","","","","1.036","","","","has coordinates,has disorder","184818","2020-10-21","18:00:00",""
"7226119","14.439","0.001","18.945","0.001","26.776","0.002","90","","104.056","0.004","90","","7105.2","0.8","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C73 H98 N2 O10 W -","- C73 H98 N2 O10 W -","- C292 H392 N8 O40 W4 -","4","1","","D'Acunto, Maria Antonietta; Tommasone, Stefano; Talotta, Carmen; Brancatelli, Giovanna; Geremia, Silvano; Valletta, Elena; Marino-Merlo, Francesca; Macchi, Beatrice; Gaeta, Carmine; Neri, Placido; Spinella, Aldo","Installing Tungsten Fischer Carbene Complexes into a Calixarene Framework","RSC Adv.","2016","","","","","10.1039/C6RA17326H","","","0.7","","","0.0819","0.0782","","","0.1989","0.2007","","","","","","1.208","","","","has coordinates,has disorder","184818","2020-10-21","18:00:00",""
"7226120","5.2062","0.0002","11.8917","0.0004","17.4814","0.0006","88.39","0.001","83.617","0.001","85.223","0.001","1071.64","0.07","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","","","- C22 H24 F2 N2 O2 S2 -","- C22 H24 F2 N2 O2 S2 -","- C44 H48 F4 N4 O4 S4 -","2","1","","Bodireddy, Mohan Reddy; Mahla, Ranjeet Singh; P.Md., Khaja Mohinuddin; Gundala, Trivikram Reddy; Durbaka, Vijaya Raghava Prasad; Kumar, Himanshu; Nallagondu, Chinna Gangi Reddy","Discovery of a new class of 16-membered (2Z, 11Z)-3,11-di(aryl/naphthyl)-1,13-dioxa-5,9-dithia-2,12-diazacyclohexadeca-2,11-dienes as novel anti-tumor agents","RSC Adv.","2016","","","","","10.1039/C6RA15140J","","","0.71073","MoKα","","0.0281","0.0261","","","0.063","0.0645","","","","","","1.04","","","","has coordinates","184819","2020-10-21","18:00:00",""
"7226121","4.697","0.0005","17.069","0.002","4.6127","0.0004","90","","90","","90","","369.81","0.07","","","","","","","","","","","","2","C m c m","-C 2c 2","63","","","","- Bi2 Ca -","- Bi2 Ca -","- Bi8 Ca4 -","4","0.25","","Winiarski, M.J.; Wiendlocha, B.; Golab, S.; Kushwaha, S.K.; Wisniewski, P.; Kaczorowski, D.; Thompson, J.D.; Cava, R.J.; Klimczuk, T.","Superconductivity in CaBi2","Physical Chemistry Chemical Physics","2016","18","","21737","21745","10.1039/C6CP02856J","","","","","","0.1057","","","","","","","","","","","","","","","has coordinates,has Fobs","184841","2020-10-21","18:00:00",""
"7226122","11.8183","0.0006","7.9251","0.0004","8.957","0.0005","90","","90.047","0.003","90","","838.92","0.08","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C7 H7 I N2 O -","- C7 H7 I N2 O -","- C28 H28 I4 N8 O4 -","4","1","","Koshti, Vijay S.; Thorat, Shridhar H.; Gote, Ravindra P.; Chikkali, Samir H.; Gonnade, Rajesh G.","The impact of modular substitution on crystal packing: the tale of two ureas","CrystEngComm","2016","18","37","7078","","10.1039/C6CE01324D","","","0.71073","MoKα","","0.0461","0.0369","","","0.0899","0.0952","","","","","","1.05","","","","has coordinates","187053","2020-10-21","18:00:00",""
"7226123","21.4515","0.0004","8.4446","0.0001","8.9977","0.0001","90","","90","","90","","1629.93","0.04","100","2","100","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C7 H7 I N2 O -","- C7 H7 I N2 O -","- C56 H56 I8 N16 O8 -","8","1","","Koshti, Vijay S.; Thorat, Shridhar H.; Gote, Ravindra P.; Chikkali, Samir H.; Gonnade, Rajesh G.","The impact of modular substitution on crystal packing: the tale of two ureas","CrystEngComm","2016","18","37","7078","","10.1039/C6CE01324D","","","0.71073","MoKα","","0.071","0.0465","","","0.136","0.152","","","","","","1.024","","","","has coordinates","187053","2020-10-21","18:00:00",""
"7226124","4.6211","0.0007","5.2775","0.0008","16.932","0.003","90","","96.344","0.002","90","","410.41","0.11","150","2","150","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C7 H7 I N2 O -","- C7 H7 I N2 O -","- C14 H14 I2 N4 O2 -","2","1","","Koshti, Vijay S.; Thorat, Shridhar H.; Gote, Ravindra P.; Chikkali, Samir H.; Gonnade, Rajesh G.","The impact of modular substitution on crystal packing: the tale of two ureas","CrystEngComm","2016","18","37","7078","","10.1039/C6CE01324D","","","0.71073","MoKα","","0.015","0.0148","","","0.0358","0.0359","","","","","","1.103","","","","has coordinates","187053","2020-10-21","18:00:00",""
"7226125","12.7772","0.0011","5.1405","0.0004","20.7792","0.0016","90","","99.085","0.005","90","","1347.68","0.19","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C13 H11 I N2 S -","- C13 H11 I N2 S -","- C52 H44 I4 N8 S4 -","4","1","","Koshti, Vijay S.; Thorat, Shridhar H.; Gote, Ravindra P.; Chikkali, Samir H.; Gonnade, Rajesh G.","The impact of modular substitution on crystal packing: the tale of two ureas","CrystEngComm","2016","18","37","7078","","10.1039/C6CE01324D","","","0.71073","MoKα","","0.0467","0.0395","","","0.077","0.0793","","","","","","1.186","","","","has coordinates","187053","2020-10-21","18:00:00",""
"7226126","21.0485","0.0013","4.6303","0.0003","12.8294","0.0007","90","","102.835","0.004","90","","1219.12","0.13","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C13 H11 I N2 O -","- C13 H11 I N2 O -","- C52 H44 I4 N8 O4 -","4","1","","Koshti, Vijay S.; Thorat, Shridhar H.; Gote, Ravindra P.; Chikkali, Samir H.; Gonnade, Rajesh G.","The impact of modular substitution on crystal packing: the tale of two ureas","CrystEngComm","2016","18","37","7078","","10.1039/C6CE01324D","","","0.71073","MoKα","","0.0492","0.0411","","","0.0691","0.0713","","","","","","1.225","","","","has coordinates","187053","2020-10-21","18:00:00",""
"7226127","12.6626","0.0017","7.0591","0.001","15.395","0.002","90","","94.006","0.002","90","","1372.7","0.3","200","2","200","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C13 H11 I N2 S -","- C13 H11 I N2 S -","- C52 H44 I4 N8 S4 -","4","1","","Koshti, Vijay S.; Thorat, Shridhar H.; Gote, Ravindra P.; Chikkali, Samir H.; Gonnade, Rajesh G.","The impact of modular substitution on crystal packing: the tale of two ureas","CrystEngComm","2016","18","37","7078","","10.1039/C6CE01324D","","","0.71073","MoKα","","0.0568","0.0484","","","0.1309","0.1354","","","","","","1.054","","","","has coordinates","187053","2020-10-21","18:00:00",""
"7226128","27.607","0.006","4.6224","0.0011","9.75","0.002","90","","93.235","0.003","90","","1242.2","0.5","200","2","200","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C13 H10 F I N2 O -","- C13 H10 F I N2 O -","- C52 H40 F4 I4 N8 O4 -","4","1","","Koshti, Vijay S.; Thorat, Shridhar H.; Gote, Ravindra P.; Chikkali, Samir H.; Gonnade, Rajesh G.","The impact of modular substitution on crystal packing: the tale of two ureas","CrystEngComm","2016","18","37","7078","","10.1039/C6CE01324D","","","0.71073","MoKα","","0.0409","0.0316","","","0.0792","0.0834","","","","","","1.04","","","","has coordinates","187053","2020-10-21","18:00:00",""
"7226129","12.481","0.002","9.9446","0.0016","23.867","0.004","90","","96.736","0.002","90","","2941.9","0.8","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C14 H13 I N2 O S -","- C14 H13 I N2 O S -","- C112 H104 I8 N16 O8 S8 -","8","2","","Koshti, Vijay S.; Thorat, Shridhar H.; Gote, Ravindra P.; Chikkali, Samir H.; Gonnade, Rajesh G.","The impact of modular substitution on crystal packing: the tale of two ureas","CrystEngComm","2016","18","37","7078","","10.1039/C6CE01324D","","","0.71073","MoKα","","0.0643","0.0567","","","0.1265","0.13","","","","","","1.181","","","","has coordinates","187053","2020-10-21","18:00:00",""
"7226130","8.1518","0.0006","18.2688","0.0013","9.5334","0.0007","90","","93.672","0.001","90","","1416.83","0.18","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C14 H13 I N2 O S -","- C14 H13 I N2 O S -","- C56 H52 I4 N8 O4 S4 -","4","1","","Koshti, Vijay S.; Thorat, Shridhar H.; Gote, Ravindra P.; Chikkali, Samir H.; Gonnade, Rajesh G.","The impact of modular substitution on crystal packing: the tale of two ureas","CrystEngComm","2016","18","37","7078","","10.1039/C6CE01324D","","","0.71073","MoKα","","0.0268","0.0258","","","0.058","0.0584","","","","","","1.228","","","","has coordinates","187053","2020-10-21","18:00:00",""
"7226131","14.2167","0.0019","14.5308","0.0018","6.8955","0.001","90","","90","","90","","1424.5","0.3","150","2","150","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C13 H10 I N3 O2 S -","- C13 H10 I N3 O2 S -","- C52 H40 I4 N12 O8 S4 -","4","1","","Koshti, Vijay S.; Thorat, Shridhar H.; Gote, Ravindra P.; Chikkali, Samir H.; Gonnade, Rajesh G.","The impact of modular substitution on crystal packing: the tale of two ureas","CrystEngComm","2016","18","37","7078","","10.1039/C6CE01324D","","","0.71073","MoKα","","0.0334","0.0316","","","0.0701","0.0709","","","","","","1.159","","","","has coordinates","187053","2020-10-21","18:00:00",""
"7226132","15.3895","0.0012","5.4985","0.0005","17.1612","0.0015","90","","116.18","0.004","90","","1303.2","0.2","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C13 H11 I N2 S -","- C13 H11 I N2 S -","- C52 H44 I4 N8 S4 -","4","1","","Koshti, Vijay S.; Thorat, Shridhar H.; Gote, Ravindra P.; Chikkali, Samir H.; Gonnade, Rajesh G.","The impact of modular substitution on crystal packing: the tale of two ureas","CrystEngComm","2016","18","37","7078","","10.1039/C6CE01324D","","","0.71073","MoKα","","0.0639","0.0549","","","0.1094","0.1126","","","","","","1.24","","","","has coordinates","187053","2020-10-21","18:00:00",""
"7226133","26.18","0.0017","4.6273","0.0003","9.9779","0.0007","90","","91.646","0.003","90","","1208.25","0.14","200","2","200","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C13 H11 I N2 O -","- C13 H11 I N2 O -","- C52 H44 I4 N8 O4 -","4","1","","Koshti, Vijay S.; Thorat, Shridhar H.; Gote, Ravindra P.; Chikkali, Samir H.; Gonnade, Rajesh G.","The impact of modular substitution on crystal packing: the tale of two ureas","CrystEngComm","2016","18","37","7078","","10.1039/C6CE01324D","","","0.71073","MoKα","","0.0385","0.0274","","","0.0853","0.1324","","","","","","1.187","","","","has coordinates","187053","2020-10-21","18:00:00",""
"7226134","27.253","0.005","4.6408","0.0009","9.8532","0.0018","90","","91.991","0.006","90","","1245.4","0.4","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C13 H11 I N2 O -","- C13 H11 I N2 O -","- C52 H44 I4 N8 O4 -","4","1","","Koshti, Vijay S.; Thorat, Shridhar H.; Gote, Ravindra P.; Chikkali, Samir H.; Gonnade, Rajesh G.","The impact of modular substitution on crystal packing: the tale of two ureas","CrystEngComm","2016","18","37","7078","","10.1039/C6CE01324D","","","1.54178","CuKα","","0.0717","0.057","","","0.1608","0.1728","","","","","","1.15","","","","has coordinates","187053","2020-10-21","18:00:00",""
"7226135","13.5715","0.0005","15.217","0.0005","24.985","0.0009","77.706","0.003","89.786","0.003","73.329","0.003","4820.5","0.3","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C42 Ag4 N14 O63 P2 W18 -","- C42 Ag4 N14 O63 P2 W18 -","- C84 Ag8 N28 O126 P4 W36 -","2","1","","Sha, Jing-Quan; Zhu, Pei-Pei; Yang, Xi-Ya; Sheng, Ning; Li, Ji-Shen; Sun, Long-Jiang; Yan, Hong","A rigid organic ligand-induced POMCP with a helical self-penetrating structure as a redox and acid catalyst","CrystEngComm","2016","18","37","7049","","10.1039/C6CE01358A","","","0.71073","MoKα","","0.1398","0.101","","","0.2767","0.3106","","","","","","1.057","","","","has coordinates,has disorder","187055","2020-10-21","18:00:00",""
"7226136","27.2878","0.0014","14.5549","0.0005","24.4249","0.0012","90","","115.836","0.006","90","","8731.2","0.8","298","2","298","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C36 H28 N12 O62 P2 W18 -","- C36 H28 N12 O62 P2 W18 -","- C144 H112 N48 O248 P8 W72 -","4","0.5","","Sha, Jing-Quan; Zhu, Pei-Pei; Yang, Xi-Ya; Sheng, Ning; Li, Ji-Shen; Sun, Long-Jiang; Yan, Hong","A rigid organic ligand-induced POMCP with a helical self-penetrating structure as a redox and acid catalyst","CrystEngComm","2016","18","37","7049","","10.1039/C6CE01358A","","","0.71073","MoKα","","0.0555","0.0394","","","0.095","0.1043","","","","","","1.086","","","","has coordinates","187055","2020-10-21","18:00:00",""
"7226137","21.429","0.0002","21.429","0.0002","21.429","0.0002","90","","90","","90","","9840.24","0.16","295","","295","","","","","","","","","3","I a -3 d","-I 4bd 2c 3","230","","","","- Ge362.72 K60.96 Tl3.04 -","- Ge362.72 K60.96 Tl3.04 -","- Ge362.72 K60.96 Tl3.04 -","1","0.0104167","","Zhang, Hui; Mu, Gang; Huang, Fu Qiang; Xie, Xiaoming","New Clathrates of Rb7.50(1)Tl0.50(1)Ge46 and K7.62(1)Tl0.38(1)Ge45.34(3)","RSC Adv.","2016","","","","","10.1039/C6RA14614G","powder diffraction","x-ray","1.54056","CuKα~1~","","0.1148","","","","","","","","0.668","","","","","","","has coordinates","185011","2020-10-21","18:00:00",""
"7226138","10.81559","0.00007","10.81559","0.00007","10.81559","0.00007","90","","90","","90","","1265.18","0.014","295","","295","","","","","","","","","3","P m -3 n","-P 4n 2 3","223","","","","- Ge23 Rb3.75 Tl0.25 -","- Ge23 Rb3.75 Tl0.25 -","- Ge46 Rb7.5 Tl0.5 -","2","0.0416667","","Zhang, Hui; Mu, Gang; Huang, Fu Qiang; Xie, Xiaoming","New Clathrates of Rb7.50(1)Tl0.50(1)Ge46 and K7.62(1)Tl0.38(1)Ge45.34(3)","RSC Adv.","2016","","","","","10.1039/C6RA14614G","powder diffraction","x-ray","1.54056","CuKα~1~","","0.0933","","","","","","","","0.21319","","","","","","","has coordinates","185011","2020-10-21","18:00:00",""
"7226139","5.479","0.003","7.926","0.004","18.296","0.009","78.658","0.008","86.196","0.008","79.757","0.008","766.2","0.7","294","2","294","2","","","","","","","","5","P -1","-P 1","2","","","","- C17 H17 Cl N2 O -","- C17 H17 Cl N2 O -","- C34 H34 Cl2 N4 O2 -","2","1","","Basireddy, Venkata Subba Reddy; Anjum, Rehana S.; Balasubramanian, Sridhar","A novel self-terminated Prins strategy for the synthesis of tetrahydropyran-4-one derivatives and their behavior in Fisher indole synthesis","RSC Adv.","2016","","","","","10.1039/C6RA11218H","","","0.71073","MoKα","","0.1735","0.0879","","","0.152","0.1815","","","","","","1.091","","","","has coordinates","185013","2020-10-21","18:00:00",""
"7226140","5.4739","0.0004","11.7125","0.0011","15.0667","0.0015","69.068","0.009","83.892","0.007","81.991","0.007","891.75","0.15","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C19 H15 Br Cl N3 O2 -","- C19 H15 Br Cl N3 O2 -","- C38 H30 Br2 Cl2 N6 O4 -","2","1","","Eeda, Koti Reddy; Chandran, Remya; Sajith, Ayyiliath M.; V, Dileep K; Sadasivan, C.; Shaik, Anwar","Functionalised dihydroazo pyrimidine derivatives from Morita-Baylis-Hillman Acetates: Synthesis and studies against Acetylcholinesterase inhibitors.","RSC Adv.","2016","","","","","10.1039/C6RA12507G","","x-ray","0.71073","MoKα","","0.0807","0.0574","","","0.1462","0.1597","","","","","","1.071","","","","has coordinates","206958","2020-10-21","18:00:00",""
"7226141","7.541","0.0008","7.7485","0.0008","13.2889","0.0012","82.835","0.008","83.414","0.008","81.361","0.009","758.03","0.13","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","NEW","","- C15 H16 N4 O3 -","- C15 H16 N4 O3 -","- C30 H32 N8 O6 -","2","1","","Eeda, Koti Reddy; Chandran, Remya; Sajith, Ayyiliath M.; V, Dileep K; Sadasivan, C.; Shaik, Anwar","Functionalised dihydroazo pyrimidine derivatives from Morita-Baylis-Hillman Acetates: Synthesis and studies against Acetylcholinesterase inhibitors.","RSC Adv.","2016","","","","","10.1039/C6RA12507G","","x-ray","0.71073","MoKα","","0.0718","0.0563","","","0.151","0.1709","","","","","","1.083","","","","has coordinates","185015","2020-10-21","18:00:00",""
"7226142","23.7111","0.0004","23.7111","0.0004","46.9783","0.0007","90","","90","","90","","26412","0.7","100","2","100","2","","","","","","","","6","P 41 21 2","P 4abw 2nw","92","","","","- C112 H108 Co2 N16 O4 S4 -","- C112 H108 Co2 N16 O4 S4 -","- C896 H864 Co16 N128 O32 S32 -","8","1","","Klein, Y. Maximilian; Prescimone, Alessandro; Pitak, Mateusz B.; J.Coles, Simon; Constable, Edwin C.; Housecroft, Catherine E.","Constructing chiral MOFs by functionalizing 4,2′:6′,4′′-terpyridine with long-chain alkoxy domains: rare examples of neb nets","CrystEngComm","2016","18","25","4704","","10.1039/C6CE00939E","","x-ray","0.71075","MoKα","K-L~3~","0.144","0.0901","","","0.2552","0.2795","","","","","","0.95","","","","has coordinates,has disorder","185039","2020-10-21","18:00:00",""
"7226143","23.68444","0.00016","23.68444","0.00016","46.9716","0.0004","90","","90","","90","","26348.8","0.3","100","2","100","2","","","","","","","","6","P 43 21 2","P 4nw 2abw","96","","","","- C112 H108 Co2 N16 O4 S4 -","- C112 H108 Co2 N16 O4 S4 -","- C896 H864 Co16 N128 O32 S32 -","8","1","","Klein, Y. Maximilian; Prescimone, Alessandro; Pitak, Mateusz B.; J.Coles, Simon; Constable, Edwin C.; Housecroft, Catherine E.","Constructing chiral MOFs by functionalizing 4,2′:6′,4′′-terpyridine with long-chain alkoxy domains: rare examples of neb nets","CrystEngComm","2016","18","25","4704","","10.1039/C6CE00939E","","x-ray","0.71075","MoKα","K-L~3~","0.1171","0.0894","","","0.2652","0.2836","","","","","","1.035","","","","has coordinates,has disorder","185039","2020-10-21","18:00:00",""
"7226144","23.88216","0.00009","23.88216","0.00009","46.8514","0.0003","90","","90","","90","","26722.1","0.2","100","2","100","2","","","","","","","","7","P 41 21 2","P 4abw 2nw","92","","","","- C127 H138 Cl6 Co2 N16 O5 S4 -","- C127 H138 Cl6 Co2 N16 O5 S4 -","- C1016 H1104 Cl48 Co16 N128 O40 S32 -","8","1","","Klein, Y. Maximilian; Prescimone, Alessandro; Pitak, Mateusz B.; J.Coles, Simon; Constable, Edwin C.; Housecroft, Catherine E.","Constructing chiral MOFs by functionalizing 4,2′:6′,4′′-terpyridine with long-chain alkoxy domains: rare examples of neb nets","CrystEngComm","2016","18","25","4704","","10.1039/C6CE00939E","","x-ray","0.71075","MoKα","K-L~3~","0.0954","0.0913","","","0.256","0.2615","","","","","","1.051","","","","has coordinates","185039","2020-10-21","18:00:00",""
"7226145","10.133","0.003","6.7797","0.0017","13.077","0.003","90","","91.44","0.02","90","","898.1","0.4","298","2","298","2","","","","","","","","7","P 1 21/m 1","-P 2yb","11","","","","- C15 H10 Br Hg I2 N3 O -","- C15 H10 Br Hg I2 N3 O -","- C30 H20 Br2 Hg2 I4 N6 O2 -","2","0.5","","Khavasi, Hamid Reza; Kavand, Sima","π-Stacking synthon repetitivity in coordination compounds","CrystEngComm","2016","18","25","4760","","10.1039/C6CE00838K","","","0.71073","MoKα","","0.0903","0.0718","","","0.1856","0.199","","","","","","1.099","","","","has coordinates","185040","2020-10-21","18:00:00",""
"7226146","9.8327","0.0014","6.6591","0.0013","12.8974","0.0017","90","","91.698","0.011","90","","844.1","0.2","298","2","298","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C15 H10 Br3 Hg N3 O -","- C15 H10 Br3 Hg N3 O -","- C30 H20 Br6 Hg2 N6 O2 -","2","0.5","","Khavasi, Hamid Reza; Kavand, Sima","π-Stacking synthon repetitivity in coordination compounds","CrystEngComm","2016","18","25","4760","","10.1039/C6CE00838K","","","0.71073","MoKα","","0.0952","0.0906","","","0.171","0.192","","","","","","1.149","","","","has coordinates","185040","2020-10-21","18:00:00",""
"7226147","7.8032","0.0007","9.6586","0.0009","11.4038","0.0011","78.367","0.007","81.78","0.007","76.496","0.007","814.39","0.13","298","2","298","2","","","","","","","","7","P -1","-P 1","2","","","","- C15 H10 Br Cl2 Hg N3 O -","- C15 H10 Br Cl2 Hg N3 O -","- C30 H20 Br2 Cl4 Hg2 N6 O2 -","2","1","","Khavasi, Hamid Reza; Kavand, Sima","π-Stacking synthon repetitivity in coordination compounds","CrystEngComm","2016","18","25","4760","","10.1039/C6CE00838K","","","0.71073","MoKα","","0.0704","0.041","","","0.1046","0.1101","","","","","","1.191","","","","has coordinates","185040","2020-10-21","18:00:00",""
"7226148","5.1029","0.0007","13.9355","0.0014","18.293","0.003","90","","92.318","0.011","90","","1299.8","0.3","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C15 H10 Br N3 O -","- C15 H10 Br N3 O -","- C60 H40 Br4 N12 O4 -","4","1","","Khavasi, Hamid Reza; Kavand, Sima","π-Stacking synthon repetitivity in coordination compounds","CrystEngComm","2016","18","25","4760","","10.1039/C6CE00838K","","","0.71073","MoKα","","0.091","0.085","","","0.1569","0.1962","","","","","","1.194","","","","has coordinates","185040","2020-10-21","18:00:00",""
"7226149","5.0499","0.0007","13.8172","0.0011","18.221","0.002","90","","93.432","0.01","90","","1269.1","0.2","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C15 H10 Cl N3 O -","- C15 H10 Cl N3 O -","- C60 H40 Cl4 N12 O4 -","4","1","","Khavasi, Hamid Reza; Kavand, Sima","π-Stacking synthon repetitivity in coordination compounds","CrystEngComm","2016","18","25","4760","","10.1039/C6CE00838K","","","0.71073","MoKα","","0.1609","0.0989","","","0.1368","0.1555","","","","","","1.201","","","","has coordinates","185040","2020-10-21","18:00:00",""
"7226150","8.5716","0.0007","9.8507","0.0009","11.6901","0.001","103.615","0.007","103.475","0.007","102.305","0.007","894.64","0.15","298","2","298","2","","","","","","","","7","P -1","-P 1","2","","","","- C15 H10 Cl Hg I2 N3 O -","- C15 H10 Cl Hg I2 N3 O -","- C30 H20 Cl2 Hg2 I4 N6 O2 -","2","1","","Khavasi, Hamid Reza; Kavand, Sima","π-Stacking synthon repetitivity in coordination compounds","CrystEngComm","2016","18","25","4760","","10.1039/C6CE00838K","","","0.71073","MoKα","","0.0914","0.0763","","","0.1888","0.2029","","","","","","1.044","","","","has coordinates","185040","2020-10-21","18:00:00",""
"7226151","7.8587","0.0009","9.8104","0.001","11.5257","0.0013","76.986","0.008","80.953","0.009","75.314","0.009","832.75","0.16","298","2","298","2","","","","","","","","7","P -1","-P 1","2","","","","- C15 H10 Br2 Cl Hg N3 O -","- C15 H10 Br2 Cl Hg N3 O -","- C30 H20 Br4 Cl2 Hg2 N6 O2 -","2","1","","Khavasi, Hamid Reza; Kavand, Sima","π-Stacking synthon repetitivity in coordination compounds","CrystEngComm","2016","18","25","4760","","10.1039/C6CE00838K","","","0.71073","MoKα","","0.0756","0.0479","","","0.0975","0.1078","","","","","","1.049","","","","has coordinates","185040","2020-10-21","18:00:00",""
"7226152","7.7489","0.0011","9.6446","0.0012","11.3533","0.0013","77.812","0.009","81.537","0.01","76.841","0.01","803.2","0.18","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C15 H10 Cl3 Hg N3 O -","- C15 H10 Cl3 Hg N3 O -","- C30 H20 Cl6 Hg2 N6 O2 -","2","1","","Khavasi, Hamid Reza; Kavand, Sima","π-Stacking synthon repetitivity in coordination compounds","CrystEngComm","2016","18","25","4760","","10.1039/C6CE00838K","","","0.71073","MoKα","","0.0625","0.0481","","","0.1119","0.1183","","","","","","1.085","","","","has coordinates","185040","2020-10-21","18:00:00",""
"7226153","4.8886","0.0011","6.6448","0.0015","13.171","0.003","90","","96.305","0.005","90","","425.26","0.17","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C4 Cu K2 O8 -","- C4 Cu K2 O8 -","- C8 Cu2 K4 O16 -","2","0.5","","Zhang, B.; Zhang, Y.; Zhang, J.; Yan, X.; Zhu, D.","Step by step crystal-to-crystal transformation from 1D K2Cu(C2O4)2(H2O)4(1) to 1D K2Cu(C2O4)2(H2O)2(2) and then 1D K2Cu(C2O4)2(3) by dehydration","CrystEngComm","2016","18","27","5062","","10.1039/C6CE00786D","","","0.71073","MoKα","","0.0367","0.0332","","","0.0753","0.0768","","","","","","1.174","","","","has coordinates","185041","2020-10-21","18:00:00",""
"7226154","6.904","0.002","8.66","0.003","8.929","0.003","107.95","0.004","99.637","0.004","97.637","0.004","490.9","0.3","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C4 H4 Cu K2 O10 -","- C4 H4 Cu K2 O10 -","- C8 H8 Cu2 K4 O20 -","2","1","","Zhang, B.; Zhang, Y.; Zhang, J.; Yan, X.; Zhu, D.","Step by step crystal-to-crystal transformation from 1D K2Cu(C2O4)2(H2O)4(1) to 1D K2Cu(C2O4)2(H2O)2(2) and then 1D K2Cu(C2O4)2(3) by dehydration","CrystEngComm","2016","18","27","5062","","10.1039/C6CE00786D","","","0.71073","MoKα","","0.029","0.0283","","","0.0774","0.0781","","","","","","1.075","","","","has coordinates","185041","2020-10-21","18:00:00",""
"7226155","3.7345","0.0007","14.764","0.003","10.742","0.002","90","","93.23","0.03","90","","591.3","0.2","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C4 H8 Cu K2 O12 -","- C4 H8 Cu K2 O12 -","- C8 H16 Cu2 K4 O24 -","2","0.5","","Zhang, B.; Zhang, Y.; Zhang, J.; Yan, X.; Zhu, D.","Step by step crystal-to-crystal transformation from 1D K2Cu(C2O4)2(H2O)4(1) to 1D K2Cu(C2O4)2(H2O)2(2) and then 1D K2Cu(C2O4)2(3) by dehydration","CrystEngComm","2016","18","27","5062","","10.1039/C6CE00786D","","","0.71073","MoKα","","0.0333","0.0304","","","0.0623","0.064","","","","","","1.132","","","","has coordinates","185041","2020-10-21","18:00:00",""
"7226156","8.094","0.002","8.186","0.002","13.626","0.004","104.044","0.015","92.51","0.015","99.071","0.014","861.7","0.4","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","4-diethylphosphono-4'-biphenyl carboxylic acid methyl ester","","- C18 H21 O5 P -","- C18 H21 O5 P -","- C36 H42 O10 P2 -","2","1","","Heering, Christian; Francis, Biju; Nateghi, Bahareh; Makhloufi, Gamall; Lüdeke, Steffen; Janiak, Christoph","Syntheses, structures and properties of group 12 element (Zn, Cd, Hg) coordination polymers with a mixed-functional phosphonate-biphenyl-carboxylate linker","CrystEngComm","2016","18","27","5209","","10.1039/C6CE00587J","","","0.71073","MoKα","","0.0719","0.0595","","","0.1632","0.175","","","","","","1.072","","","","has coordinates","185042","2020-10-21","18:00:00",""
"7226157","5.2848","0.0012","8.1031","0.0018","27.371","0.006","90","","91.766","0.012","90","","1171.6","0.5","173","2","173","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C13 H9 O5 P Zn -","- C13 H9 O5 P Zn -","- C52 H36 O20 P4 Zn4 -","4","0.5","","Heering, Christian; Francis, Biju; Nateghi, Bahareh; Makhloufi, Gamall; Lüdeke, Steffen; Janiak, Christoph","Syntheses, structures and properties of group 12 element (Zn, Cd, Hg) coordination polymers with a mixed-functional phosphonate-biphenyl-carboxylate linker","CrystEngComm","2016","18","27","5209","","10.1039/C6CE00587J","","","0.71073","MoKα","","0.083","0.0681","","","0.152","0.163","","","","","","1.053","","","","has coordinates,has disorder","185042","2020-10-21","18:00:00",""
"7226158","59.003","0.011","5.4907","0.0009","7.8375","0.0012","90","","93.644","0.009","90","","2534","0.7","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C13 H10 Hg O5 P -","- C13 H10 Hg O5 P -","- C104 H80 Hg8 O40 P8 -","8","1","","Heering, Christian; Francis, Biju; Nateghi, Bahareh; Makhloufi, Gamall; Lüdeke, Steffen; Janiak, Christoph","Syntheses, structures and properties of group 12 element (Zn, Cd, Hg) coordination polymers with a mixed-functional phosphonate-biphenyl-carboxylate linker","CrystEngComm","2016","18","27","5209","","10.1039/C6CE00587J","","","0.71073","MoKα","","0.0932","0.0699","","","0.1646","0.1763","","","","","","1.03","","","","has coordinates","185042","2020-10-21","18:00:00",""
"7226159","32.838","0.012","5.3763","0.0019","7.913","0.003","90","","103.531","0.011","90","","1358.2","0.9","173","2","173","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C26 H20 O14 P2 Zn5 -","- C26 H20 O14 P2 Zn5 -","- C52 H40 O28 P4 Zn10 -","2","0.5","","Heering, Christian; Francis, Biju; Nateghi, Bahareh; Makhloufi, Gamall; Lüdeke, Steffen; Janiak, Christoph","Syntheses, structures and properties of group 12 element (Zn, Cd, Hg) coordination polymers with a mixed-functional phosphonate-biphenyl-carboxylate linker","CrystEngComm","2016","18","27","5209","","10.1039/C6CE00587J","","","0.71073","MoKα","","0.051","0.0412","","","0.0819","0.0851","","","","","","1.011","","","","has coordinates","185042","2020-10-21","18:00:00",""
"7226160","6.0355","0.0004","7.298","0.0004","27.8833","0.0018","90","","90","","90","","1228.18","0.13","150","2","150","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C14 H11 I O2 -","- C14 H11 I O2 -","- C56 H44 I4 O8 -","4","1","","Heering, Christian; Francis, Biju; Nateghi, Bahareh; Makhloufi, Gamall; Lüdeke, Steffen; Janiak, Christoph","Syntheses, structures and properties of group 12 element (Zn, Cd, Hg) coordination polymers with a mixed-functional phosphonate-biphenyl-carboxylate linker","CrystEngComm","2016","18","27","5209","","10.1039/C6CE00587J","","","0.71073","MoKα","","0.0306","0.0287","","","0.0681","0.0687","","","","","","1.11","","","","has coordinates","185042","2020-10-21","18:00:00",""
"7226161","9.3961","0.0007","9.545","0.0007","27.323","0.0019","90","","90","","90","","2450.5","0.3","173","2","173","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C26 H16 Cd3 O10 P2 -","- C26 H16 Cd3 O10 P2 -","- C104 H64 Cd12 O40 P8 -","4","1","","Heering, Christian; Francis, Biju; Nateghi, Bahareh; Makhloufi, Gamall; Lüdeke, Steffen; Janiak, Christoph","Syntheses, structures and properties of group 12 element (Zn, Cd, Hg) coordination polymers with a mixed-functional phosphonate-biphenyl-carboxylate linker","CrystEngComm","2016","18","27","5209","","10.1039/C6CE00587J","","","0.71073","MoKα","","0.0322","0.032","","","0.0772","0.0773","","","","","","1.128","","","","has coordinates","185042","2020-10-21","18:00:00",""
"7226162","8.6093","0.0004","9.1855","0.0004","9.5881","0.0004","94.55","0.001","94.069","0.001","96.684","0.001","748.24","0.06","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","Complex 1","","- C15 H20 O29 Tb2 -","- C15 H20 O29 Tb2 -","- C15 H20 O29 Tb2 -","1","0.5","","Jia, Yu-Qi; Feng, Si-Si; Shen, Mei-Lin; Lu, Li-Ping","Construction of multifunctional materials based on Tb3+and croconic acid, directed by K+cations: synthesis, structures, fluorescence, magnetic and ferroelectric behaviors","CrystEngComm","2016","18","28","5344","","10.1039/C6CE00308G","","","0.71073","MoKα","","0.037","0.0362","","","0.143","0.1439","","","","","","1.338","","","","has coordinates,has disorder","185043","2020-10-21","18:00:00",""
"7226163","20.232","0.004","9.072","0.0018","16.015","0.003","90","","116.84","0.03","90","","2622.8","1.1","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Complex 2","","- C10 H12 K O16 Tb -","- C10 H12 K O16 Tb -","- C40 H48 K4 O64 Tb4 -","4","0.5","","Jia, Yu-Qi; Feng, Si-Si; Shen, Mei-Lin; Lu, Li-Ping","Construction of multifunctional materials based on Tb3+and croconic acid, directed by K+cations: synthesis, structures, fluorescence, magnetic and ferroelectric behaviors","CrystEngComm","2016","18","28","5344","","10.1039/C6CE00308G","","","0.72","synchrotron","","0.0495","0.0481","","","0.1724","0.1771","","","","","","1.014","","","","has coordinates","185043","2020-10-21","18:00:00",""
"7226164","9.483","0.0019","13.725","0.003","14.272","0.003","90","","105.18","0.03","90","","1792.7","0.7","100","2","100","2","","","","","","","","5","C 1 c 1","C -2yc","9","","Complex 3","","- C12 H16 N O15 Tb -","- C12 H16 N O15 Tb -","- C48 H64 N4 O60 Tb4 -","4","1","","Jia, Yu-Qi; Feng, Si-Si; Shen, Mei-Lin; Lu, Li-Ping","Construction of multifunctional materials based on Tb3+and croconic acid, directed by K+cations: synthesis, structures, fluorescence, magnetic and ferroelectric behaviors","CrystEngComm","2016","18","28","5344","","10.1039/C6CE00308G","","","0.72","synchrotron","","0.039","0.0387","","","0.1057","0.106","","","","","","1.116","","","","has coordinates","185043","2020-10-21","18:00:00",""
"7226165","16.031","0.003","12.505","0.003","8.4522","0.0017","90","","90","","90","","1694.4","0.6","293","2","293","2","","","","","","","","5","C m c 21","C 2c -2","36","","Complex 4","","- C10 H14 K O17 Tb -","- C10 H14 K O17 Tb -","- C40 H56 K4 O68 Tb4 -","4","0.5","","Jia, Yu-Qi; Feng, Si-Si; Shen, Mei-Lin; Lu, Li-Ping","Construction of multifunctional materials based on Tb3+and croconic acid, directed by K+cations: synthesis, structures, fluorescence, magnetic and ferroelectric behaviors","CrystEngComm","2016","18","28","5344","","10.1039/C6CE00308G","","","0.71073","MoKα","","0.0272","0.0227","","","0.0469","0.0489","","","","","","0.897","","","","has coordinates","185043","2020-10-21","18:00:00",""
"7226166","7.3614","0.0018","13.234","0.004","13.939","0.004","106.77","0.04","104.9","0.04","98.84","0.04","1217.8","0.8","105","2","105","2","","","","","","","","6","P -1","-P 1","2","","bis(2-amino-6-methylpyridinium) hexaaquazinc(II) disulfate dihydrate","","- C12 H34 N4 O16 S2 Zn -","- C12 H34 N4 O16 S2 Zn -","- C24 H68 N8 O32 S4 Zn2 -","2","1","","Saïd, Salem; Naïli, Houcine; Bataille, Thierry; Herrera, Raquel P.","Crystallisation, thermal analysis and acetal protection activity of new layered Zn(ii) hybrid polymorphs","CrystEngComm","2016","18","28","5365","","10.1039/C6CE00486E","","","0.71073","MoKα","","0.0367","0.0299","","","0.0757","0.079","","","","","","1.067","","","","has coordinates","185044","2020-10-21","18:00:00",""
"7226167","7.3453","0.0018","12.594","0.004","20.074","0.006","80.6","0.03","83.38","0.03","89.56","0.03","1819.7","0.9","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","bis(2-amino-6-methylpyridinium) hexaaquazinc(II) disulfate dihydrate","","- C12 H34 N4 O16 S2 Zn -","- C12 H34 N4 O16 S2 Zn -","- C36 H102 N12 O48 S6 Zn3 -","3","1.5","","Saïd, Salem; Naïli, Houcine; Bataille, Thierry; Herrera, Raquel P.","Crystallisation, thermal analysis and acetal protection activity of new layered Zn(ii) hybrid polymorphs","CrystEngComm","2016","18","28","5365","","10.1039/C6CE00486E","","","0.71073","MoKα","","0.0526","0.0407","","","0.1078","0.1117","","","","","","1.038","","","","has coordinates","185044","2020-10-21","18:00:00",""
"7226168","10.4863","0.0014","14.79","0.002","10.8544","0.0015","90","","116.161","0.002","90","","1511","0.4","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C13 H12 Cl2 N4 O Pb -","- C13 H12 Cl2 N4 O Pb -","- C52 H48 Cl8 N16 O4 Pb4 -","4","1","","Mahmoudi, Ghodrat; Bauzá, Antonio; Frontera, Antonio; Garczarek, Piotr; Stilinović, Vladimir; Kirillov, Alexander M.; Kennedy, Alan; Ruiz-Pérez, Catalina","Metal‒organic and supramolecular lead(ii) networks assembled from isomeric nicotinoylhydrazone blocks: the effects of ligand geometry and counter-ion on topology and supramolecular assembly","CrystEngComm","2016","18","28","5375","","10.1039/C6CE00900J","","","0.71073","MoKα","","0.0223","0.0183","","","0.0403","0.0418","","","","","","1.032","","","","has coordinates","185045","2020-10-21","18:00:00",""
"7226169","9.0862","0.0004","9.3122","0.0004","11.5175","0.0005","84.905","0.001","72.809","0.001","62.775","0.001","826.61","0.06","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","Tetranitratobis(2-acetylpyridylnicotinylhydrozone)dilead(II))","","- C13 H12 N6 O7 Pb -","- C13 H12 N6 O7 Pb -","- C26 H24 N12 O14 Pb2 -","2","1","","Mahmoudi, Ghodrat; Bauzá, Antonio; Frontera, Antonio; Garczarek, Piotr; Stilinović, Vladimir; Kirillov, Alexander M.; Kennedy, Alan; Ruiz-Pérez, Catalina","Metal‒organic and supramolecular lead(ii) networks assembled from isomeric nicotinoylhydrazone blocks: the effects of ligand geometry and counter-ion on topology and supramolecular assembly","CrystEngComm","2016","18","28","5375","","10.1039/C6CE00900J","","","0.71073","MoKα","","0.0198","0.0192","","","0.0484","0.0487","","","","","","1.079","","","","has coordinates","185045","2020-10-21","18:00:00",""
"7226170","7.5527","0.0002","14.5337","0.0005","16.8369","0.0004","102.817","0.002","94.897","0.002","98.141","0.002","1770.85","0.09","123","2","123","2","","","","","","","","6","P -1","-P 1","2","","","","- C30 H24 N12 O2 Pb2 S4 -","- C30 H24 N12 O2 Pb2 S4 -","- C60 H48 N24 O4 Pb4 S8 -","2","1","","Mahmoudi, Ghodrat; Bauzá, Antonio; Frontera, Antonio; Garczarek, Piotr; Stilinović, Vladimir; Kirillov, Alexander M.; Kennedy, Alan; Ruiz-Pérez, Catalina","Metal‒organic and supramolecular lead(ii) networks assembled from isomeric nicotinoylhydrazone blocks: the effects of ligand geometry and counter-ion on topology and supramolecular assembly","CrystEngComm","2016","18","28","5375","","10.1039/C6CE00900J","","","0.71073","MoKα","","0.0344","0.0248","","","0.0425","0.0454","","","","","","1.059","","","","has coordinates","185045","2020-10-21","18:00:00",""
"7226171","7.8658","0.0007","8.6864","0.0007","11.002","0.0009","100.321","0.004","92.891","0.005","95.189","0.004","734.82","0.11","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C13 H12 Cl2 N4 O Pb -","- C13 H12 Cl2 N4 O Pb -","- C26 H24 Cl4 N8 O2 Pb2 -","2","1","","Mahmoudi, Ghodrat; Bauzá, Antonio; Frontera, Antonio; Garczarek, Piotr; Stilinović, Vladimir; Kirillov, Alexander M.; Kennedy, Alan; Ruiz-Pérez, Catalina","Metal‒organic and supramolecular lead(ii) networks assembled from isomeric nicotinoylhydrazone blocks: the effects of ligand geometry and counter-ion on topology and supramolecular assembly","CrystEngComm","2016","18","28","5375","","10.1039/C6CE00900J","","","0.71073","MoKα","","0.0182","0.0172","","","0.0434","0.0439","","","","","","1.034","","","","has coordinates","185045","2020-10-21","18:00:00",""
"7226172","9.0537","0.0003","23.1055","0.0008","7.8698","0.0003","90","","98.458","0.001","90","","1628.38","0.1","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C13 H12 N6 O7 Pb -","- C13 H12 N6 O7 Pb -","- C52 H48 N24 O28 Pb4 -","4","1","","Mahmoudi, Ghodrat; Bauzá, Antonio; Frontera, Antonio; Garczarek, Piotr; Stilinović, Vladimir; Kirillov, Alexander M.; Kennedy, Alan; Ruiz-Pérez, Catalina","Metal‒organic and supramolecular lead(ii) networks assembled from isomeric nicotinoylhydrazone blocks: the effects of ligand geometry and counter-ion on topology and supramolecular assembly","CrystEngComm","2016","18","28","5375","","10.1039/C6CE00900J","","","0.71073","MoKα","","0.0437","0.029","","","0.0507","0.0538","","","","","","1.027","","","","has coordinates","185045","2020-10-21","18:00:00",""
"7226173","8.6135","0.0004","9.3532","0.0007","11.1952","0.001","87.356","0.007","87.566","0.005","82.906","0.005","893.46","0.11","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C15 H12 N6 O Pb S2 -","- C15 H12 N6 O Pb S2 -","- C30 H24 N12 O2 Pb2 S4 -","2","1","","Mahmoudi, Ghodrat; Bauzá, Antonio; Frontera, Antonio; Garczarek, Piotr; Stilinović, Vladimir; Kirillov, Alexander M.; Kennedy, Alan; Ruiz-Pérez, Catalina","Metal‒organic and supramolecular lead(ii) networks assembled from isomeric nicotinoylhydrazone blocks: the effects of ligand geometry and counter-ion on topology and supramolecular assembly","CrystEngComm","2016","18","28","5375","","10.1039/C6CE00900J","","x-ray","0.71073","MoKα","","0.0363","0.0319","","","0.0773","0.0793","","","","","","1.147","","","","has coordinates","185045","2020-10-21","18:00:00",""
"7226174","13.6811","0.0011","11.8839","0.0012","7.3549","0.0006","90","","90","","90","","1195.8","0.18","293","2","293","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C13 H14 N2 O3 -","- C13 H14 N2 O3 -","- C52 H56 N8 O12 -","4","1","","Chatterjee, Tanmay; Mandal, Mrinal; Mandal, Prasun K.","Solvent H-bond accepting ability induced conformational change and its influence towards fluorescence enhancement and dual fluorescence of hydroxy meta-GFP chromophore analogue.","Physical chemistry chemical physics : PCCP","2016","18","35","24332","24342","10.1039/c6cp04219h","","","0.7107","MoKα","","0.063","0.0535","","","0.13","0.1403","","","","","","1.065","","","","has coordinates","186490","2020-10-21","18:00:00",""
"7226175","8.3642","0.0005","7.8279","0.0005","20.8234","0.0014","90","","90.819","0.006","90","","1363.25","0.15","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C14 H16 N2 O3 -","- C14 H16 N2 O3 -","- C56 H64 N8 O12 -","4","1","","Chatterjee, Tanmay; Mandal, Mrinal; Mandal, Prasun K.","Solvent H-bond accepting ability induced conformational change and its influence towards fluorescence enhancement and dual fluorescence of hydroxy meta-GFP chromophore analogue.","Physical chemistry chemical physics : PCCP","2016","18","35","24332","24342","10.1039/c6cp04219h","","","0.71073","MoKα","","0.09","0.0694","","","0.2087","0.222","","","","","","1.147","","","","has coordinates","186490","2020-10-21","18:00:00",""
"7226176","8.2166","0.0006","15.0686","0.001","22.6298","0.0015","90","","90","","90","","2801.9","0.3","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","methyl 3,4,4-trimethyl-4,5-dihydroimidazo[1,5-a]quinoxaline-7-carboxylate","","- C15 H17 N3 O2 -","- C15 H17 N3 O2 -","- C120 H136 N24 O16 -","8","1","","Chen, Li-Hsun; Kao, Chih-Hsien; DHOLE, SANDIP; Barve, Indrajeet; Shen, Li-Ching; Chung, Wen-Sheng; Sun, Chung-Ming","Regioselective Synthesis of Imidazo[1,5-a]quinoxalines and Methyl N-Phenylbenzimidats on Ionic Liquid Support","RSC Adv.","2016","","","","","10.1039/C6RA11861E","","","0.71073","MoKα","","0.0585","0.0438","","","0.1096","0.1185","","","","","","1.033","","","","has coordinates","185051","2020-10-21","18:00:00",""
"7226177","11.587","0.002","10.3387","0.0017","14.091","0.002","90","","101.378","0.004","90","","1654.8","0.5","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","methyl (Z)-4-(1H-imidazol-1-yl)-3-((methoxy(phenyl)methylene)amino)benzoate","","- C19 H17 N3 O3 -","- C19 H17 N3 O3 -","- C76 H68 N12 O12 -","4","1","","Chen, Li-Hsun; Kao, Chih-Hsien; DHOLE, SANDIP; Barve, Indrajeet; Shen, Li-Ching; Chung, Wen-Sheng; Sun, Chung-Ming","Regioselective Synthesis of Imidazo[1,5-a]quinoxalines and Methyl N-Phenylbenzimidats on Ionic Liquid Support","RSC Adv.","2016","","","","","10.1039/C6RA11861E","","","0.71073","MoKα","","0.0618","0.0434","","","0.1087","0.1192","","","","","","1.035","","","","has coordinates","185051","2020-10-21","18:00:00",""
"7226178","7.7305","0.0008","7.8246","0.0008","12.9282","0.0012","90","","102.678","0.001","90","","762.94","0.13","298","2","298","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C20 H13 N O2 -","- C20 H13 N O2 -","- C40 H26 N2 O4 -","2","1","","Jiang, Bo; Fu, Rong; Qiu, Jiang-Kai; Yu, Yan; Wang, Shu-Liang; Tu, Shu-Jiang","A new [4 + 1]/[4 + 2]bicycliaztion strategy for accessing functionalized indeno[1,2-b]pyran-2-ones","RSC Adv.","2016","6","78","74372","","10.1039/C6RA16462E","","","0.71073","MoKα","","0.0821","0.0416","","","0.066","0.0765","","","","","","1.039","","","","has coordinates","185052","2020-10-21","18:00:00",""
"7226179","7.1126","0.0002","8.151","0.0002","25.807","0.0007","90","","90","","90","","1496.16","0.07","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C6 H8 O3 S -","- C6 H8 O3 S -","- C48 H64 O24 S8 -","8","2","","Mangalum, A.; Boadi, F.; Masand, S. A.; Lalancette, R. A.; Pietrangelo, A.","A Pb2±binding polychelatogen derived from thionated lactide","RSC Adv.","2016","6","78","74250","","10.1039/C6RA16230D","","","1.54178","CuKα","","0.0283","0.0277","","","0.073","0.0735","","","","","","1.053","","","","has coordinates","185053","2020-10-21","18:00:00",""
"7226180","7.7606","0.0005","10.8844","0.0008","12.686","0.001","90","","90","","90","","1071.58","0.13","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C11 H14 O3 S -","- C11 H14 O3 S -","- C44 H56 O12 S4 -","4","1","","Mangalum, A.; Boadi, F.; Masand, S. A.; Lalancette, R. A.; Pietrangelo, A.","A Pb2±binding polychelatogen derived from thionated lactide","RSC Adv.","2016","6","78","74250","","10.1039/C6RA16230D","","","1.54178","CuKα","","0.0349","0.0312","","","0.0752","0.0766","","","","","","1.006","","","","has coordinates","185053","2020-10-21","18:00:00",""
"7226181","12.8947","0.0002","8.5141","0.0001","7.3227","0.0001","90","","90","","90","","803.936","0.019","100","2","100","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C6 H8 O2 S2 -","- C6 H8 O2 S2 -","- C24 H32 O8 S8 -","4","1","","Mangalum, A.; Boadi, F.; Masand, S. A.; Lalancette, R. A.; Pietrangelo, A.","A Pb2±binding polychelatogen derived from thionated lactide","RSC Adv.","2016","6","78","74250","","10.1039/C6RA16230D","","","1.54178","CuKα","","0.0194","0.0194","","","0.0515","0.0515","","","","","","1.153","","","","has coordinates","185053","2020-10-21","18:00:00",""
"7226182","17.452","0.004","8.258","0.0017","20.121","0.004","90","","90.95","0.03","90","","2899.4","1.1","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C35 H28 N P Pt S -","- C35 H28 N P Pt S -","- C140 H112 N4 P4 Pt4 S4 -","4","1","","Niazi, Maryam; Shahsavari, Hamid R.; Golbon Haghighi, Mohsen; Halvagar, Mohammad Reza; Hatami, Samaneh; Notash, Behrouz","Reactivity of a half-lantern Pt2(II,II) complex with triphenylphosphine: Selectivity in protonation reaction","RSC Adv.","2016","","","","","10.1039/C6RA15604E","","","0.71073","MoKα","","0.117","0.0542","","","0.1014","0.1142","","","","","","0.803","","","","has coordinates","185682","2020-10-21","18:00:00",""
"7226183","42.1444","0.0017","19.0351","0.0007","24.3731","0.0008","90","","93.459","0.002","90","","19517","1.2","223","2","223","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C36 H74 Cl4 N24 O30 Zn -","- C36 H34.6667 Cl4 N24 O12 Zn -","- C432 H416 Cl48 N288 O144 Zn12 -","12","1.5","","Li, Qing; Qiu, Sheng-Chao; Zhang, Yun-Qian; Xue, Sai-Feng; Tao, Zhu; Prior, Timothy J.; Redshaw, Carl; Xiao, Xin; Zhu, Qian-Jiang","Supramolecular Assemblies Constructed from Inverted Cucurbit[7]uril and Lanthanide Cations: Synthesis, structure and sorption properties","RSC Adv.","2016","","","","","10.1039/C6RA15559F","","","0.71073","MoKα","","0.0959","0.0634","","","0.1852","0.2002","","","","","","1.019","","","","has coordinates","185683","2020-10-21","18:00:00",""
"7226184","13.154","0.019","16.62","0.02","32.83","0.05","83.342","0.019","87.62","0.02","73.813","0.018","6846","17","223","2","223","2","","","","","","","","7","P -1","-P 1","2","","","","- C72 H144 Ca4 Cl14 N48 O60 Zn3 -","- C72 H72 Ca4 Cl14 N48 O34 Zn3 -","- C144 H144 Ca8 Cl28 N96 O68 Zn6 -","2","1","","Li, Qing; Qiu, Sheng-Chao; Zhang, Yun-Qian; Xue, Sai-Feng; Tao, Zhu; Prior, Timothy J.; Redshaw, Carl; Xiao, Xin; Zhu, Qian-Jiang","Supramolecular Assemblies Constructed from Inverted Cucurbit[7]uril and Lanthanide Cations: Synthesis, structure and sorption properties","RSC Adv.","2016","","","","","10.1039/C6RA15559F","","","0.71073","MoKα","","0.209","0.1153","","","0.2931","0.3357","","","","","","1.015","","","","has coordinates,has disorder","185683","2020-10-21","18:00:00",""
"7226185","17.988","0.0009","10.6195","0.0005","10.8053","0.0005","90","","123.369","0.002","90","","1723.8","0.15","90","","90","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C7 F5 N2 S2 -","- C7 F5 N2 S2 -","- C56 F40 N16 S16 -","8","1","","Domagała, Sławomir; Haynes, Delia A.","Experimental and theoretical charge density assessments for the 4-perfluoropyridyl- and 4-perflurophenyl-1,2,3,5-dithiadiazolyl radicals","CrystEngComm","2016","18","37","7116","","10.1039/C6CE01095D","","x-ray","0.71073","MOKα","","0.01","0.01","","","0.0114","0.0114","","","","","","1.984","","","","has coordinates","187047","2020-10-21","18:00:00",""
"7226186","17.781","0.0019","9.6259","0.001","11.3461","0.0012","90","","125.714","0.002","90","","1576.8","0.3","90","","90","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","4-perfluoropyridyl-1,2,3,5-dithiadiazolyl","","- C6 F4 N3 S2 -","- C6 F4 N3 S2 -","- C48 F32 N24 S16 -","8","1","","Domagała, Sławomir; Haynes, Delia A.","Experimental and theoretical charge density assessments for the 4-perfluoropyridyl- and 4-perflurophenyl-1,2,3,5-dithiadiazolyl radicals","CrystEngComm","2016","18","37","7116","","10.1039/C6CE01095D","","x-ray","0.71073","MOKα","","0.0195","0.0133","","","0.0174","0.0177","","","","","","0.926","","","","has coordinates","187047","2020-10-21","18:00:00",""
"7226187","7.794","0.002","9.057","0.003","9.169","0.003","90.38","0.03","91.24","0.02","107.59","0.02","616.8","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C9 H7 N4 O7 Zn2 -","- C9 H7 N4 O7 Zn2 -","- C18 H14 N8 O14 Zn4 -","2","1","","Jia, Jia; Xu, Jianing; Wang, Shengyan; Wang, Pengcheng; Gao, Lijuan; Chai, Juan; Shen, Lanlan; Chen, Xiaobo; Fan, Yong; Wang, Li","Layer-structured coordination polymers based on 5-(1H-tetrazol-5-yl)isophthalic acid: structure, sensitization of lanthanide(iii) cations and small-molecule sensing","CrystEngComm","2016","18","37","7126","","10.1039/C6CE00883F","","","0.71073","MoKα","","0.0613","0.0472","","","0.1129","0.1192","","","","","","1.04","","","","has coordinates","187054","2020-10-21","18:00:00",""
"7226188","11.2006","0.0016","11.1967","0.0016","18.5221","0.0018","90","","121.7","0.006","90","","1976.3","0.5","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C21 H14 N6 O5 Pb -","- C21 H14 N6 O5 Pb -","- C84 H56 N24 O20 Pb4 -","4","1","","Jia, Jia; Xu, Jianing; Wang, Shengyan; Wang, Pengcheng; Gao, Lijuan; Chai, Juan; Shen, Lanlan; Chen, Xiaobo; Fan, Yong; Wang, Li","Layer-structured coordination polymers based on 5-(1H-tetrazol-5-yl)isophthalic acid: structure, sensitization of lanthanide(iii) cations and small-molecule sensing","CrystEngComm","2016","18","37","7126","","10.1039/C6CE00883F","","","0.71073","MoKα","","0.0241","0.0208","","","0.0513","0.0525","","","","","","1.063","","","","has coordinates","187054","2020-10-21","18:00:00",""
"7226189","7.8513","0.0002","9.1456","0.0002","10.6941","0.0003","112.083","0.002","108.443","0.002","96.463","0.001","651.18","0.03","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C9 H3 N4 O7 Pb2 -","- C9 H3 N4 O7 Pb2 -","- C18 H6 N8 O14 Pb4 -","2","1","","Jia, Jia; Xu, Jianing; Wang, Shengyan; Wang, Pengcheng; Gao, Lijuan; Chai, Juan; Shen, Lanlan; Chen, Xiaobo; Fan, Yong; Wang, Li","Layer-structured coordination polymers based on 5-(1H-tetrazol-5-yl)isophthalic acid: structure, sensitization of lanthanide(iii) cations and small-molecule sensing","CrystEngComm","2016","18","37","7126","","10.1039/C6CE00883F","","","0.71073","MoKα","","0.0481","0.0456","","","0.1273","0.1298","","","","","","1.041","","","","has coordinates","187054","2020-10-21","18:00:00",""
"7226190","10.4487","0.0011","8.0623","0.0008","20.834","0.002","90","","100.701","0.007","90","","1724.5","0.3","150","","150","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C46 H34 N4 O2 -","- C46 H34 N4 O2 -","- C92 H68 N8 O4 -","2","0.5","","Al-Azemi, Talal F; Vinodh, Mickey; Alipour, Fatemeh H.","Bis-Resorcin[4]arene-Bridged Porphyrin Conjugates: Synthesis, Fluorescence and Binding studies","RSC Adv.","2016","","","","","10.1039/C6RA13963A","","","0.71075","MoKα","","","0.0657","","","","0.245","","","","","","1.074","","","","has coordinates","185702","2020-10-21","18:00:00",""
"7226191","12.9612","0.0008","25.9173","0.0016","18.2147","0.0012","90","","94.004","0.007","90","","6103.7","0.7","150","","150","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C64 H95 Br O8 -","- C64 H95 Br O8 -","- C256 H380 Br4 O32 -","4","1","","Al-Azemi, Talal F; Vinodh, Mickey; Alipour, Fatemeh H.","Bis-Resorcin[4]arene-Bridged Porphyrin Conjugates: Synthesis, Fluorescence and Binding studies","RSC Adv.","2016","","","","","10.1039/C6RA13963A","","","0.71075","MoKα","","","0.0795","","","","0.2801","","","","","","1.086","","","","has coordinates","185702","2020-10-21","18:00:00",""
"7226192","11.0027","0.0013","9.2037","0.001","20.727","0.003","90","","104.57","0.004","90","","2031.4","0.4","298","","298","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C23 H16 N4 S2 -","- C23 H16 N4 S2 -","- C92 H64 N16 S8 -","4","1","","Zhu, Zhuangli; Shao, Ersha; Xu, Shan; Sun, Huaming; Zhang, Guofang; Xie, Zunyuan; Zhang, Wei-Qiang; Gao, Ziwei","Sigma-spacer Regulated Thiophenyl Triazine Conjugates: Synthesis, Crystal, Electronic and Luminescent Properties","RSC Adv.","2016","","","","","10.1039/C6RA13795D","","x-ray","0.71073","MoKα","","0.0895","0.0657","","","0.1986","0.2125","","","","","","1.043","","","","has coordinates","185703","2020-10-21","18:00:00",""
"7226193","11.059","0.0006","9.0657","0.0005","20.5704","0.0011","90","","103.8","0.002","90","","2002.81","0.19","100","2","100.01","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C23 H16 N4 S2 -","- C23 H16 N4 S2 -","- C92 H64 N16 S8 -","4","1","","Zhu, Zhuangli; Shao, Ersha; Xu, Shan; Sun, Huaming; Zhang, Guofang; Xie, Zunyuan; Zhang, Wei-Qiang; Gao, Ziwei","Sigma-spacer Regulated Thiophenyl Triazine Conjugates: Synthesis, Crystal, Electronic and Luminescent Properties","RSC Adv.","2016","","","","","10.1039/C6RA13795D","","","0.71073","MoKα","","0.0357","0.0311","","","0.086","0.0892","","","","","","1.094","","","","has coordinates,has disorder","185703","2020-10-21","18:00:00",""
"7226194","30.6659","0.0015","7.7991","0.0004","21.6105","0.0011","90","","97.152","0.002","90","","5128.3","0.4","293.15","","293.15","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C24 H18 N6 O2 S4 -","- C24 H18 N6 O2 S4 -","- C192 H144 N48 O16 S32 -","8","1","","Zhu, Zhuangli; Shao, Ersha; Xu, Shan; Sun, Huaming; Zhang, Guofang; Xie, Zunyuan; Zhang, Wei-Qiang; Gao, Ziwei","Sigma-spacer Regulated Thiophenyl Triazine Conjugates: Synthesis, Crystal, Electronic and Luminescent Properties","RSC Adv.","2016","","","","","10.1039/C6RA13795D","","","0.71073","MoKα","","0.0601","0.0422","","","0.1024","0.1126","","","","","","1.077","","","","has coordinates,has disorder","185703","2020-10-21","18:00:00",""
"7226195","7.169","0.003","13.975","0.006","18.344","0.009","90","","90","","90","","1837.8","1.4","298","2","298","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C7 H5 Br N4 O2 -","- C7 H5 Br N4 O2 -","- C56 H40 Br8 N32 O16 -","8","1","","Kumar, Arvind; Kumar, Satyanand; Khajuria, Yugal; Awasthi, Satish Kumar","A comparative study between heterogeneous stannous chloride loaded silica nanoparticles and a homogeneous stannous chloride catalyst in the synthesis of 5-substituted 1H-tetrazole","RSC Adv.","2016","6","79","75227","","10.1039/C6RA14352K","","","0.71073","MoKα","","0.2494","0.1185","","","0.2771","0.3868","","","","","","0.924","","","","has coordinates","185704","2020-10-21","18:00:00",""
"7226196","31.4399","0.0009","14.584","0.0005","24.243","0.0007","90","","112.519","0.003","90","","10268.3","0.6","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C50.5 H64 Cl3 N2 P Ru S -","- C50.5 H64 Cl3 N2 P Ru S -","- C404 H512 Cl24 N16 P8 Ru8 S8 -","8","1","","Smoleń, Michał; Kosnik, Wioletta; Loska, Rafał; Gajda, Roman; Malinska, Maura; Wozniak, Krzysztof; Grela, Karol","Synthesis and catalytic activity of ruthenium indenylidene complexes bearing unsymmetrical NHC containing a heteroaromatic moiety","RSC Adv.","2016","","","","","10.1039/C6RA18210K","","","0.71073","MoKα","","0.0811","0.0543","","","0.1395","0.1563","","","","","","1.074","","","","has coordinates,has disorder","185706","2020-10-21","18:00:00",""
"7226197","31.4469","0.0008","14.5027","0.0004","24.1761","0.0005","90","","112.309","0.003","90","","10200.6","0.5","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C50.5 H64 Cl3 N2 O P Ru -","- C50.5 H64 Cl3 N2 O P Ru -","- C404 H512 Cl24 N16 O8 P8 Ru8 -","8","1","","Smoleń, Michał; Kosnik, Wioletta; Loska, Rafał; Gajda, Roman; Malinska, Maura; Wozniak, Krzysztof; Grela, Karol","Synthesis and catalytic activity of ruthenium indenylidene complexes bearing unsymmetrical NHC containing a heteroaromatic moiety","RSC Adv.","2016","","","","","10.1039/C6RA18210K","","","0.71073","MoKα","","0.0638","0.0475","","","0.1253","0.1384","","","","","","1.076","","","","has coordinates,has disorder","185706","2020-10-21","18:00:00",""
"7226198","29.2136","0.0007","14.4024","0.0003","24.4525","0.001","90","","97.527","0.003","90","","10199.6","0.5","100","2","100","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C54 H65 Cl2 N2 P Ru S -","- C54 H65 Cl2 N2 P Ru S -","- C432 H520 Cl16 N16 P8 Ru8 S8 -","8","1","","Smoleń, Michał; Kosnik, Wioletta; Loska, Rafał; Gajda, Roman; Malinska, Maura; Wozniak, Krzysztof; Grela, Karol","Synthesis and catalytic activity of ruthenium indenylidene complexes bearing unsymmetrical NHC containing a heteroaromatic moiety","RSC Adv.","2016","","","","","10.1039/C6RA18210K","","","0.71073","MoKα","","0.0959","0.0662","","","0.1657","0.1802","","","","","","1.043","","","","has coordinates,has disorder","185706","2020-10-21","18:00:00",""
"7226199","32.4848","0.0012","13.6107","0.0003","24.3944","0.0007","90","","109.926","0.004","90","","10140.1","0.6","89.9","0.5","89.9","0.5","","","","","","","","7","C 1 2 1","C 2y","5","","","","- C54 H65 Cl2 N2 O P Ru -","- C54 H65 Cl2 N2 O P Ru -","- C432 H520 Cl16 N16 O8 P8 Ru8 -","8","2","","Smoleń, Michał; Kosnik, Wioletta; Loska, Rafał; Gajda, Roman; Malinska, Maura; Wozniak, Krzysztof; Grela, Karol","Synthesis and catalytic activity of ruthenium indenylidene complexes bearing unsymmetrical NHC containing a heteroaromatic moiety","RSC Adv.","2016","","","","","10.1039/C6RA18210K","","","1.54184","CuKα","","0.0732","0.0573","","","0.1661","0.1794","","","","","","1.096","","","","has coordinates,has disorder","185706","2020-10-21","18:00:00",""
"7226200","10.5766","0.0002","15.0612","0.0003","34.1951","0.0006","85.6667","0.0014","88.7614","0.0016","89.677","0.0017","5430.27","0.18","100","","100","","","","","","","","","7","P -1","-P 1","2","","","","- C27 H32 Cl2 N2 O Ru S -","- C27 H32 Cl2 N2 O Ru S -","- C216 H256 Cl16 N16 O8 Ru8 S8 -","8","4","","Smoleń, Michał; Kosnik, Wioletta; Loska, Rafał; Gajda, Roman; Malinska, Maura; Wozniak, Krzysztof; Grela, Karol","Synthesis and catalytic activity of ruthenium indenylidene complexes bearing unsymmetrical NHC containing a heteroaromatic moiety","RSC Adv.","2016","","","","","10.1039/C6RA18210K","","","0.71073","MoKα","","0.0935","0.0581","","","0.1186","0.1325","","","","","","1.083","","","","has coordinates,has disorder","185706","2020-10-21","18:00:00",""
"7226201","10.9865","0.001","11.6624","0.001","20.9","0.0017","90","","90","","90","","2677.9","0.4","566","2","566.3","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C32 H36 O3 -","- C32 H36 O3 -","- C128 H144 O12 -","4","1","","Arde, Panjab; Ramasamy, Vijaya Anand","Expedient Access to Unsymmetrical Triarylmethanes through N-Heterocyclic Carbene Catalysed 1,6-Conjugate Addition of 2-Naphthols to para-Quinone Methides","RSC Adv.","2016","","","","","10.1039/C6RA11116E","","","0.71073","MoKα","","0.1081","0.0738","","","0.2027","0.2382","","","","","","0.957","","","","has coordinates","185730","2020-10-21","18:00:00",""
"7226202","3.8416","0.0003","25.1212","0.0016","12.9636","0.0009","90","","92.567","0.002","90","","1249.8","0.15","298","2","298","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","Bis(2-hydroxy-4-methoxyphenyl)methanone","","- C15 H14 O5 -","- C15 H14 O5 -","- C60 H56 O20 -","4","1","","Rao, Maddali L. N.; Ramakrishna, Boddu S.","Rh-catalyzed direct synthesis of 2,2′-dihydroxybenzophenones and xanthones","RSC Adv.","2016","6","79","75505","","10.1039/C6RA18647E","","","0.71073","MoKα","","0.118","0.0581","","","0.1219","0.1535","","","","","","1.055","","","","has coordinates","185731","2020-10-21","18:00:00",""
"7226203","6.109","0.0006","7.6441","0.0007","15.5179","0.0014","98.759","0.002","99.355","0.002","96.627","0.001","699.34","0.11","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","","","- C19 H12 O2 S -","- C19 H12 O2 S -","- C38 H24 O4 S2 -","2","1","","Xu, Fan; Yuan, Maosen; Wang, Wenji; Du, Xianchao; Wang, Hui; Li, Na; Yu, Ruijin; Du, Zhenting; Wang, Jinyi","Symmetric and unsymmetric thienyl-substituted fluorenone dyes: static excimer-induced emission enhancement","RSC Adv.","2016","","","","","10.1039/C6RA13102F","","","0.71073","MoKα","","0.1303","0.103","","","0.269","0.2914","","","","","","1.017","","","","has coordinates","185732","2020-10-21","18:00:00",""
"7226204","11.797","0.002","3.548","0.0007","13.404","0.003","90","","106.25","0.03","90","","538.6","0.2","153.15","","153.15","","","","","","","","","5","P 1 n 1","P -2yac","7","","","","- C3 H10 N9 Na O5 -","- C3 H10 N9 Na O5 -","- C6 H20 N18 Na2 O10 -","2","1","","Guo, Weiming; Zhang, Tonglai; Zhang, Bo; Feng, Yongan; Chen, Sitong; Mi, Zhenhao","Studies on sodium polymers based on Di(1H-tetrazol-5-yl) methanone oxime","RSC Adv.","2016","","","","","10.1039/C6RA15591J","","","0.71073","MoKα","","0.0367","0.0334","","","0.0999","0.1223","","","","","","1.23","","","","has coordinates","185733","2020-10-21","18:00:00",""
"7226205","14.431","0.003","3.567","0.0007","22.642","0.008","90","","111.56","0.02","90","","1084","0.5","153.15","","153.15","","","","","","","","","5","P 1 c 1","P -2yc","7","","","","- C3 H10 N10 Na O4.5 -","- C3 H10 N10 Na O4.5 -","- C12 H40 N40 Na4 O18 -","4","2","","Guo, Weiming; Zhang, Tonglai; Zhang, Bo; Feng, Yongan; Chen, Sitong; Mi, Zhenhao","Studies on sodium polymers based on Di(1H-tetrazol-5-yl) methanone oxime","RSC Adv.","2016","","","","","10.1039/C6RA15591J","","","0.71073","MoKα","","0.0753","0.0628","","","0.1697","0.1903","","","","","","1.165","","","","has coordinates","287753","2023-11-23","09:34:45",""
"7226206","14.507","0.003","3.5938","0.0007","20.191","0.004","90","","90","","90","","1052.7","0.4","153","2","153","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C3 H9 N10 Na O4 -","- C3 H9 N10 Na O4 -","- C12 H36 N40 Na4 O16 -","4","1","","Guo, Weiming; Zhang, Tonglai; Zhang, Bo; Feng, Yongan; Chen, Sitong; Mi, Zhenhao","Studies on sodium polymers based on Di(1H-tetrazol-5-yl) methanone oxime","RSC Adv.","2016","","","","","10.1039/C6RA15591J","","","0.71073","MoKα","","0.0351","0.0338","","","0.0766","0.0777","","","","","","1.09","","","","has coordinates","185733","2020-10-21","18:00:00",""
"7226207","9.8334","0.0005","10.2673","0.0006","15.0986","0.0009","87.742","0.005","89.51","0.004","66.545","0.005","1397.31","0.15","173","","173","","","","","","","","","7","P -1","-P 1","2","C1N","","","- C30 H24 Cu N4 O P S2 -","- C30 H24 Cu N4 O P S2 -","- C60 H48 Cu2 N8 O2 P2 S4 -","2","1","","Gholivand, Khodayar; Farshadfar, Kaveh; Roe, S. Mark; Hosseini, Mahdieh; Gholami, Akram","Investigation of structure-directing interactions within copper(i)thiocyanate complexes through X-ray analyses and non-covalent interaction (NCI) theoretical approach","CrystEngComm","2016","18","37","7104","","10.1039/C6CE01339B","","x-ray","1.54184","CuKα","","0.0364","0.0295","","","0.075","0.0778","","","","","","1.022","","","","has coordinates","187044","2020-10-21","18:00:00",""
"7226208","10.7768","0.0009","11.0362","0.0008","12.2584","0.0005","85.195","0.005","78.024","0.005","80.116","0.006","1403.3","0.17","173","","173","","","","","","","","","7","P -1","-P 1","2","C1S","","","- C30 H24 Cu N4 O P S2 -","- C30 H24 Cu N4 O P S2 -","- C60 H48 Cu2 N8 O2 P2 S4 -","2","1","","Gholivand, Khodayar; Farshadfar, Kaveh; Roe, S. Mark; Hosseini, Mahdieh; Gholami, Akram","Investigation of structure-directing interactions within copper(i)thiocyanate complexes through X-ray analyses and non-covalent interaction (NCI) theoretical approach","CrystEngComm","2016","18","37","7104","","10.1039/C6CE01339B","","x-ray","0.71073","MoKα","","0.0605","0.0444","","","0.0951","0.1072","","","","","","1.113","","","","has coordinates","187044","2020-10-21","18:00:00",""
"7226209","15.7005","0.0007","8.0099","0.0004","10.3633","0.0005","90","","94.374","0.004","90","","1299.49","0.11","173","","173","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","C2P","","","- C12 H9 Cu N4 O2 S -","- C12 H9 Cu N4 O2 S -","- C48 H36 Cu4 N16 O8 S4 -","4","1","","Gholivand, Khodayar; Farshadfar, Kaveh; Roe, S. Mark; Hosseini, Mahdieh; Gholami, Akram","Investigation of structure-directing interactions within copper(i)thiocyanate complexes through X-ray analyses and non-covalent interaction (NCI) theoretical approach","CrystEngComm","2016","18","37","7104","","10.1039/C6CE01339B","","x-ray","1.54184","CuKα","","0.0488","0.0356","","","0.0866","0.0955","","","","","","1.035","","","","has coordinates","187044","2020-10-21","18:00:00",""
"7226210","9.8386","0.0007","10.1356","0.0006","14.9963","0.001","90.004","0.005","90.051","0.006","113.105","0.007","1375.48","0.17","173","","173","","","","","","","","","7","P -1","-P 1","2","C2N","","","- C30 H24 Cu N4 O2 P S -","- C30 H24 Cu N4 O2 P S -","- C60 H48 Cu2 N8 O4 P2 S2 -","2","1","","Gholivand, Khodayar; Farshadfar, Kaveh; Roe, S. Mark; Hosseini, Mahdieh; Gholami, Akram","Investigation of structure-directing interactions within copper(i)thiocyanate complexes through X-ray analyses and non-covalent interaction (NCI) theoretical approach","CrystEngComm","2016","18","37","7104","","10.1039/C6CE01339B","","x-ray","1.54184","CuKα","","0.043","0.0373","","","0.102","0.1078","","","","","","1.045","","","","has coordinates","187044","2020-10-21","18:00:00",""
"7226211","5.7469","0.0001","20.6365","0.0002","9.2801","0.0001","90","","98.204","0.001","90","","1089.32","0.02","150","2","150","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C21 H22 Cu N4 O7 -","- C21 H22 Cu N4 O7 -","- C42 H44 Cu2 N8 O14 -","2","1","","Sharma, Surbhi; Toupet, Loïc; Ahmad, Musheer; Arjmand, Farukh","Synthesis, characterization, crystal structure of RNA targeted L- and D-phenylalanine-(1, 10-phen)-copper(II) conjugate complexes; Comparative in vitro RNA binding profile of enantiomers and their biological evaluation by morphological studies and antibacterial activity","RSC Adv.","2016","","","","","10.1039/C6RA14503E","","","1.54184","CuKα","","0.0264","0.0253","","","0.0691","0.0775","","","","","","1.08","","","","has coordinates","185747","2020-10-21","18:00:00",""
"7226212","5.728","0.005","20.587","0.005","9.252","0.005","90","","98.308","0.005","90","","1079.6","1.1","150","2","150","2","","","","","","","","5","P 1 21 1","P 2yb","4","","SS12B","","- C21 H22 Cu N4 O7 -","- C21 H22 Cu N4 O7 -","- C42 H44 Cu2 N8 O14 -","2","1","","Sharma, Surbhi; Toupet, Loïc; Ahmad, Musheer; Arjmand, Farukh","Synthesis, characterization, crystal structure of RNA targeted L- and D-phenylalanine-(1, 10-phen)-copper(II) conjugate complexes; Comparative in vitro RNA binding profile of enantiomers and their biological evaluation by morphological studies and antibacterial activity","RSC Adv.","2016","","","","","10.1039/C6RA14503E","","","0.71073","MoKα","","0.034","0.0301","","","0.0669","0.0684","","","","","","1.056","","","","has coordinates","185747","2020-10-21","18:00:00",""
"7226213","11.285","0.002","14.466","0.003","13.528","0.003","90","","112.2","0.03","90","","2044.7","0.8","173.15","","173.15","","","","","","","","","4","P 1 n 1","P -2yac","7","","","","- C24 H20 N4 O2 -","- C24 H20 N4 O2 -","- C96 H80 N16 O8 -","4","2","","Guo, Hongchao; Zhou, Leijie; Sun, Zhanhu; Yuan, Chunhao","Phosphine-Catalyzed [3+2] Cycloaddition of Phthalazinium Dicyanomethanides with Allenoates: Highly Efficient Synthesis of 1,2,3,10b-Tetrahydropyrrolo[2,1-a]phthalazine Derivatives","RSC Adv.","2016","","","","","10.1039/C6RA13643E","","","0.71073","MoKα","","0.0477","0.0456","","","0.1012","0.1027","","","","","","1.037","","","","has coordinates","185748","2020-10-21","18:00:00",""
"7226214","16.156","0.003","10.118","0.002","25.816","0.005","90","","105.14","0.03","90","","4073.6","1.5","173.15","","173.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C50 H41 N6 O4 -","- C50 H41 N6 O4 -","- C200 H164 N24 O16 -","4","1","","Guo, Hongchao; Zhou, Leijie; Sun, Zhanhu; Yuan, Chunhao","Phosphine-Catalyzed [3+2] Cycloaddition of Phthalazinium Dicyanomethanides with Allenoates: Highly Efficient Synthesis of 1,2,3,10b-Tetrahydropyrrolo[2,1-a]phthalazine Derivatives","RSC Adv.","2016","","","","","10.1039/C6RA13643E","","","0.71073","MoKα","","0.0835","0.0704","","","0.1499","0.1583","","","","","","1.162","","","","has coordinates,has disorder","185748","2020-10-21","18:00:00",""
"7226215","8.427","0.005","8.87","0.05","11.531","0.007","83.9","0.03","89.32","0.03","71.399","0.019","812","5","173.15","","173.15","","","","","","","","","4","P -1","-P 1","2","","","","- C19 H17 N3 O2 -","- C19 H17 N3 O2 -","- C38 H34 N6 O4 -","2","1","","Guo, Hongchao; Zhou, Leijie; Sun, Zhanhu; Yuan, Chunhao","Phosphine-Catalyzed [3+2] Cycloaddition of Phthalazinium Dicyanomethanides with Allenoates: Highly Efficient Synthesis of 1,2,3,10b-Tetrahydropyrrolo[2,1-a]phthalazine Derivatives","RSC Adv.","2016","","","","","10.1039/C6RA13643E","","","0.71073","MoKα","","0.1078","0.0943","","","0.253","0.269","","","","","","1.112","","","","has coordinates","185748","2020-10-21","18:00:00",""
"7226216","9.234","0.003","10.079","0.003","11.771","0.004","74.328","0.011","87.518","0.014","72.598","0.01","1005.7","0.6","173.15","","173.15","","","","","","","","","5","P -1","-P 1","2","","","","- C23 H18 Br N3 O2 -","- C23 H18 Br N3 O2 -","- C46 H36 Br2 N6 O4 -","2","1","","Guo, Hongchao; Zhou, Leijie; Sun, Zhanhu; Yuan, Chunhao","Phosphine-Catalyzed [3+2] Cycloaddition of Phthalazinium Dicyanomethanides with Allenoates: Highly Efficient Synthesis of 1,2,3,10b-Tetrahydropyrrolo[2,1-a]phthalazine Derivatives","RSC Adv.","2016","","","","","10.1039/C6RA13643E","","","0.71073","MoKα","","0.0448","0.0405","","","0.0915","0.0964","","","","","","1.084","","","","has coordinates","185748","2020-10-21","18:00:00",""
"7226217","8.775","0.002","16.891","0.003","14.538","0.004","90","","93.444","0.003","90","","2150.9","0.9","173.15","","173.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H19 Br N4 O2 -","- C24 H19 Br N4 O2 -","- C96 H76 Br4 N16 O8 -","4","1","","Guo, Hongchao; Zhou, Leijie; Sun, Zhanhu; Yuan, Chunhao","Phosphine-Catalyzed [3+2] Cycloaddition of Phthalazinium Dicyanomethanides with Allenoates: Highly Efficient Synthesis of 1,2,3,10b-Tetrahydropyrrolo[2,1-a]phthalazine Derivatives","RSC Adv.","2016","","","","","10.1039/C6RA13643E","","","0.71073","MoKα","","0.0622","0.0504","","","0.1064","0.113","","","","","","1.184","","","","has coordinates,has disorder","185748","2020-10-21","18:00:00",""
"7226218","18.456","0.002","7.9351","0.0007","19.4327","0.0019","90","","90","","90","","2845.9","0.5","296","2","296","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C15 H13 B F2 N2 O2 -","- C15 H13 B F2 N2 O2 -","- C120 H104 B8 F16 N16 O16 -","8","1","","Prasannan, Dijo; Raghav, Darpan; Subramaniam, Sujatha; Hareendrakrishna kumar, Haritha; K, Rathinasamy; Arunkumar, Chellaiah","Synthesis, structure, photophysical, electrochemical properties and antibacterial activity of brominated BODIPYs","RSC Adv.","2016","","","","","10.1039/C6RA12258B","","","0.71073","MoKα","","0.0831","0.039","","","0.0907","0.1176","","","","","","1.073","","","","has coordinates","185749","2020-10-21","18:00:00",""
"7226219","11.5754","0.0008","15.3509","0.0011","9.375","0.0005","90","","112.989","0.002","90","","1533.57","0.17","296","2","296","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C15 H9 B Br2 F2 N2 O -","- C15 H9 B Br2 F2 N2 O -","- C60 H36 B4 Br8 F8 N8 O4 -","4","1","","Prasannan, Dijo; Raghav, Darpan; Subramaniam, Sujatha; Hareendrakrishna kumar, Haritha; K, Rathinasamy; Arunkumar, Chellaiah","Synthesis, structure, photophysical, electrochemical properties and antibacterial activity of brominated BODIPYs","RSC Adv.","2016","","","","","10.1039/C6RA12258B","","","0.71073","MoKα","","0.0565","0.0439","","","0.1011","0.1083","","","","","","1.102","","","","has coordinates","185749","2020-10-21","18:00:00",""
"7226220","9.1279","0.0006","11.6936","0.0009","15.8335","0.0012","90","","90","","90","","1690","0.2","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C19 H19 B F2 N2 -","- C19 H19 B F2 N2 -","- C76 H76 B4 F8 N8 -","4","1","","Prasannan, Dijo; Raghav, Darpan; Subramaniam, Sujatha; Hareendrakrishna kumar, Haritha; K, Rathinasamy; Arunkumar, Chellaiah","Synthesis, structure, photophysical, electrochemical properties and antibacterial activity of brominated BODIPYs","RSC Adv.","2016","","","","","10.1039/C6RA12258B","","","0.71073","MoKα","","0.0797","0.048","","","0.1172","0.1413","","","","","","1.051","","","","has coordinates","185749","2020-10-21","18:00:00",""
"7226221","8.0364","0.0003","8.0696","0.0004","11.0822","0.0005","88.549","0.002","84.664","0.002","71.997","0.002","680.53","0.05","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H13 B F2 N2 -","- C16 H13 B F2 N2 -","- C32 H26 B2 F4 N4 -","2","1","","Prasannan, Dijo; Raghav, Darpan; Subramaniam, Sujatha; Hareendrakrishna kumar, Haritha; K, Rathinasamy; Arunkumar, Chellaiah","Synthesis, structure, photophysical, electrochemical properties and antibacterial activity of brominated BODIPYs","RSC Adv.","2016","","","","","10.1039/C6RA12258B","","","0.71073","MoKα","","0.0569","0.0392","","","0.0851","0.1022","","","","","","1.064","","","","has coordinates","185749","2020-10-21","18:00:00",""
"7226222","8.1738","0.0005","10.1538","0.0006","27.937","0.0017","80.058","0.003","89.87","0.003","72.418","0.003","2174.1","0.2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C15.33 H11.33 B Cl F2 N2 -","- C15.3333 H11.3333 B Cl F2 N2 -","- C92 H68 B6 Cl6 F12 N12 -","6","3","","Prasannan, Dijo; Raghav, Darpan; Subramaniam, Sujatha; Hareendrakrishna kumar, Haritha; K, Rathinasamy; Arunkumar, Chellaiah","Synthesis, structure, photophysical, electrochemical properties and antibacterial activity of brominated BODIPYs","RSC Adv.","2016","","","","","10.1039/C6RA12258B","","","0.71073","MoKα","","0.0901","0.0548","","","0.122","0.1462","","","","","","1.082","","","","has coordinates,has disorder","185749","2020-10-21","18:00:00",""
"7226223","20.3794","0.0007","9.1072","0.0003","9.1422","0.0003","90","","90","","90","","1696.79","0.1","293","2","293","2","","","","","","","","3","P 21 21 2","P 2 2ab","18","","","","- C19 H26 O4 -","- C19 H26 O4 -","- C76 H104 O16 -","4","1","","Li, Xin; Li, Xiao-Ming; Li, Xiao-Dong; Xu, Gang-Ming; Liu, Yang; Wang, Bin-Gui","20-Nor-isopimarane cycloethers from the deep-sea sediment-derived fungus Aspergillus wentii SD-310","RSC Adv.","2016","6","79","75981","","10.1039/C6RA17638K","","","1.54178","CuKα","","0.0454","0.0421","","","0.1064","0.1087","","","","","","1.051","","","","has coordinates","185750","2020-10-21","18:00:00",""
"7226224","6.2051","0.0006","8.201","0.0008","34.011","0.003","90","","90","","90","","1730.8","0.3","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C19 H28 O4 -","- C19 H28 O4 -","- C76 H112 O16 -","4","1","","Li, Xin; Li, Xiao-Ming; Li, Xiao-Dong; Xu, Gang-Ming; Liu, Yang; Wang, Bin-Gui","20-Nor-isopimarane cycloethers from the deep-sea sediment-derived fungus Aspergillus wentii SD-310","RSC Adv.","2016","6","79","75981","","10.1039/C6RA17638K","","","1.54178","CuKα","","0.083","0.0584","","","0.1321","0.1522","","","","","","1.037","","","","has coordinates","185750","2020-10-21","18:00:00",""
"7226225","11.1182","0.001","12.8745","0.0011","11.7116","0.0008","90","","90.398","0.001","90","","1676.4","0.2","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","asperether C","","- C19 H26 O4 -","- C19 H26 O4 -","- C76 H104 O16 -","4","2","","Li, Xin; Li, Xiao-Ming; Li, Xiao-Dong; Xu, Gang-Ming; Liu, Yang; Wang, Bin-Gui","20-Nor-isopimarane cycloethers from the deep-sea sediment-derived fungus Aspergillus wentii SD-310","RSC Adv.","2016","6","79","75981","","10.1039/C6RA17638K","","","1.54178","CuKα","","0.1054","0.063","","","0.1096","0.1375","","","","","","1.003","","","","has coordinates,has disorder","185750","2020-10-21","18:00:00",""
"7226226","12.0282","0.0019","9.0364","0.0015","8.1578","0.0011","90","","90.601","0.009","90","","886.6","0.2","295","1","295","1","","","","","","","","4","P 1 21 1","P 2yb","4","","anhydrous sibutramine hydrochloride enantiomer","","- C17 H27 Cl2 N -","- C17 H27 Cl2 N -","- C34 H54 Cl4 N2 -","2","1","","Rosa, F.; Négrier, P.; Espeau, P.","Racemic compound and conglomerate of anhydrous sibutramine hydrochloride: a rare case of relative stability","CrystEngComm","2016","18","36","6903","","10.1039/C6CE01123C","","","1.54056","CuKα~1~","","","","","","","","","","","","","","","","","has coordinates","187043","2020-10-21","18:00:00",""
"7226227","6.7105","0.0003","7.803","0.0004","15.2397","0.0009","90","","102.694","0.002","90","","778.48","0.07","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C17 H16 O8 -","- C17 H16 O8 -","- C34 H32 O16 -","2","1","","Ding, Wei-yi; Ai, Jun; Wang, Xinlong; Qiu, Fayang; Lu, Qing; Fang, Ping; Hou, Fan-Fan; yan, yong ming; Cheng, Yongxian","Isolation of lingzhifuran A and lingzhilactones D-F from Ganoderma lucidum as specific Smad3 phosphorylation inhibitors and total synthesis of lingzhifuran A","RSC Adv.","2016","","","","","10.1039/C6RA17900B","","","1.54178","CuKα","","0.108","0.1075","","","0.289","0.2892","","","","","","1.212","","","","has coordinates","185768","2020-10-21","18:00:00",""
"7226228","7.367","0.003","8.555","0.002","15.803","0.005","94.02","0.02","102.77","0.03","89.86","0.03","968.9","0.6","240","2","240","2","","","","","","","","3","P -1","-P 1","2","","Hexachlorobenzene-pyrene adduct","","- C22 H10 Cl6 -","- C22 H10 Cl6 -","- C44 H20 Cl12 -","2","1","","Landeros-Rivera, Bruno; Moreno-Esparza, Rafael; Hernández-Trujillo, Jesús","Theoretical study of intermolecular interactions in crystalline arene-perhaloarene adducts in terms of the electron density","RSC Adv.","2016","","","","","10.1039/C6RA14957J","","","0.71073","MoKα","","0.0901","0.0663","","","0.1674","0.1847","","","","","","1.125","","","","has coordinates","185769","2020-10-21","18:00:00",""
"7226229","17.2096","0.0003","7.2895","0.0001","18.0874","0.0003","90","","116.651","0.002","90","","2027.98","0.07","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","Hexachlorobenzene-triphenylente adduct","","- C24 H12 Cl6 -","- C24 H12 Cl6 -","- C96 H48 Cl24 -","4","1","","Landeros-Rivera, Bruno; Moreno-Esparza, Rafael; Hernández-Trujillo, Jesús","Theoretical study of intermolecular interactions in crystalline arene-perhaloarene adducts in terms of the electron density","RSC Adv.","2016","","","","","10.1039/C6RA14957J","","","0.71073","MoKα","","0.0304","0.0255","","","0.0661","0.0711","","","","","","1.15","","","","has coordinates","185769","2020-10-21","18:00:00",""
"7226230","12.31578","0.00008","12.31578","0.00008","13.37214","0.00014","90","","90","","90","","2028.27","0.03","173","2","173","2","","","","","","","","4","P 43","P 4cw","78","","melohemsine D","","- C21 H24 N2 O4 -","- C21 H24 N2 O4 -","- C84 H96 N8 O16 -","4","1","","Zhang, Jian; Ding, Yun; Huang, Xiao-Jun; Jiang, Renwang; Wang, Ying; Sun, Ping-Hua; Fan, Run-zhu; Zhang, Xiao-Qi; Ye, Wen-Cai","Melohemsines A-I, melodinus-type alkaloids from Melodinus hemsleyanus","RSC Adv.","2016","","","","","10.1039/C6RA16762D","","","1.54184","CuKα","","0.047","0.0464","","","0.1314","0.1322","","","","","","1.105","","","","has coordinates","185770","2020-10-21","18:00:00",""
"7226231","23.3403","0.001","11.8569","0.0005","14.2652","0.0006","90","","104","0.002","90","","3830.5","0.3","303","2","303","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C16.5 H21 N O6.5 S Sn -","- C16 H19 N O6 S Sn -","- C128 H152 N8 O48 S8 Sn8 -","8","1","","Martins, Luísa Margarida; Hazra, Susanta; Guedes da Silva, M. Fátima C.; Pombeiro, Armando J. L.","A Sulfonated Schiff Base Dimethyltin(IV) Coordination Polymer: Synthesis, Characterization and Application as a Catalyst for Ultrasound- or Microwave-Assisted Baeyer-Villiger Oxidation under Solvent-free Conditions","RSC Adv.","2016","","","","","10.1039/C6RA14689A","","","0.71073","MoKα","","0.0383","0.0293","","","0.0714","0.0749","","","","","","1.046","","","","has coordinates","185771","2020-10-21","18:00:00",""
"7226232","60.91","0.007","60.91","0.007","60.91","0.007","90","","90","","90","","225978","4","296","2","296","2","","","","","","","","5","F 4 3 2","F 4 2 3","209","","DUT-63","","- C78 H48 Cu3 N2 O15 -","- C78 H48 Cu3 N2 O15 -","- C1248 H768 Cu48 N32 O240 -","16","0.166667","","Müller, Philipp; Grünker, Ronny; Bon, Volodymyr; Pfeffermann, Martin; Senkovska, Irena; Weiss, Manfred S.; Feng, Xinliang; Kaskel, Stefan","Topological control of 3,4-connected frameworks based on the Cu2-paddle-wheel node: tbo or pto, and why?","CrystEngComm","2016","18","42","8164","","10.1039/C6CE01513A","","x-ray","0.88561","synchrotron","","0.1126","0.054","","","0.1205","0.1394","","","","","","0.65","","","","has coordinates","188099","2020-10-21","18:00:00",""
"7226233","35.49","0.004","35.49","0.004","35.49","0.004","90","","90","","90","","44701","9","296","2","296","2","","","","","","","","5","P m -3 n","-P 4n 2 3","223","","DUT-64","","- C52 H32 Cu2 N1.33 O10 -","- C52 H32 Cu2 N1.33333 O10 -","- C312 H192 Cu12 N8 O60 -","6","0.125","","Müller, Philipp; Grünker, Ronny; Bon, Volodymyr; Pfeffermann, Martin; Senkovska, Irena; Weiss, Manfred S.; Feng, Xinliang; Kaskel, Stefan","Topological control of 3,4-connected frameworks based on the Cu2-paddle-wheel node: tbo or pto, and why?","CrystEngComm","2016","18","42","8164","","10.1039/C6CE01513A","","x-ray","0.88561","synchrotron","","0.1268","0.0771","","","0.2502","0.2861","","","","","","0.827","","","","has coordinates","188099","2020-10-21","18:00:00",""
"7226234","35.4","0.004","35.4","0.004","35.4","0.004","90","","90","","90","","44362","9","296","2","296","2","","","","","","","","5","P m -3 n","-P 4n 2 3","223","","DUT-124","","- C64 H48 Cu2 N1.33 O10 -","- C64 H48 Cu2 N1.33333 O10 -","- C384 H288 Cu12 N8 O60 -","6","0.125","","Müller, Philipp; Grünker, Ronny; Bon, Volodymyr; Pfeffermann, Martin; Senkovska, Irena; Weiss, Manfred S.; Feng, Xinliang; Kaskel, Stefan","Topological control of 3,4-connected frameworks based on the Cu2-paddle-wheel node: tbo or pto, and why?","CrystEngComm","2016","18","42","8164","","10.1039/C6CE01513A","","x-ray","0.88561","synchrotron","","0.1351","0.1101","","","0.3135","0.3458","","","","","","1.131","","","","has coordinates","188099","2020-10-21","18:00:00",""
"7226235","35.51","0.004","35.51","0.004","35.51","0.004","90","","90","","90","","44777","9","296","2","296","2","","","","","","","","5","P m -3 n","-P 4n 2 3","223","","DUT-125","","- C68 H48 Cu3 N5.33 O10 -","- C64.24 H42.24 Cu3 N5.89333 O10 -","- C385.44 H253.44 Cu18 N35.36 O60 -","6","0.125","","Müller, Philipp; Grünker, Ronny; Bon, Volodymyr; Pfeffermann, Martin; Senkovska, Irena; Weiss, Manfred S.; Feng, Xinliang; Kaskel, Stefan","Topological control of 3,4-connected frameworks based on the Cu2-paddle-wheel node: tbo or pto, and why?","CrystEngComm","2016","18","42","8164","","10.1039/C6CE01513A","","x-ray","0.895","synchrotron","","0.1009","0.0673","","","0.1999","0.2455","","","","","","1.06","","","","has coordinates","188099","2020-10-21","18:00:00",""
"7226236","35.49","0.004","35.49","0.004","35.49","0.004","90","","90","","90","","44701","9","296","2","296","2","","","","","","","","5","P m -3 n","-P 4n 2 3","223","","DUT-128","","- C82 H64 Cu3 N7.33 O10 -","- C82 H64 Cu3 N7.33333 O10 -","- C492 H384 Cu18 N44 O60 -","6","0.125","","Müller, Philipp; Grünker, Ronny; Bon, Volodymyr; Pfeffermann, Martin; Senkovska, Irena; Weiss, Manfred S.; Feng, Xinliang; Kaskel, Stefan","Topological control of 3,4-connected frameworks based on the Cu2-paddle-wheel node: tbo or pto, and why?","CrystEngComm","2016","18","42","8164","","10.1039/C6CE01513A","","x-ray","0.895","synchrotron","","0.1558","0.0998","","","0.2748","0.3243","","","","","","1.135","","","","has coordinates,has disorder","188099","2020-10-21","18:00:00",""
"7226237","6.4948","0.0013","8.222","0.0016","20.348","0.004","90","","90.842","0.002","90","","1086.5","0.4","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","4-chlorobenzaldehyde 2-(2-pyridinyl)hydrazone","","- C12 H10 Cl N3 -","- C12 H10 Cl N3 -","- C48 H40 Cl4 N12 -","4","1","","Beard, Lindsey E.; Ojala, Charles R.; Kassekert, Kara J.; Ojala, William H.","Molecular packing preferences in “bridge-flipped” isomeric aryl-2-pyridylhydrazones and 2-pyridinecarboxaldehyde arylhydrazones","CrystEngComm","2016","18","37","7036","","10.1039/C6CE01519K","","","0.71073","MoKα","","0.0513","0.0382","","","0.0942","0.1026","","","","","","1.041","","","","has coordinates","187049","2020-10-21","18:00:00",""
"7226238","11.9741","0.0017","4.533","0.0007","20.337","0.003","90","","93.807","0.002","90","","1101.4","0.3","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","2-pyridinecarboxaldehyde 2-(4-chlorophenyl)hydrazone","","- C12 H10 Cl N3 -","- C12 H10 Cl N3 -","- C48 H40 Cl4 N12 -","4","1","","Beard, Lindsey E.; Ojala, Charles R.; Kassekert, Kara J.; Ojala, William H.","Molecular packing preferences in “bridge-flipped” isomeric aryl-2-pyridylhydrazones and 2-pyridinecarboxaldehyde arylhydrazones","CrystEngComm","2016","18","37","7036","","10.1039/C6CE01519K","","","0.71073","MoKα","","0.0629","0.0386","","","0.0852","0.0952","","","","","","1.029","","","","has coordinates","187049","2020-10-21","18:00:00",""
"7226239","29.3899","0.0018","3.8643","0.0003","20.0344","0.0013","90","","108.118","0.005","90","","2162.5","0.3","123","2","123","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2pyridinecarboxaldehyde2(4chlorophenyl)hydrazone","","- C12 H10 Cl N3 -","- C12 H10 Cl N3 -","- C96 H80 Cl8 N24 -","8","2","","Beard, Lindsey E.; Ojala, Charles R.; Kassekert, Kara J.; Ojala, William H.","Molecular packing preferences in “bridge-flipped” isomeric aryl-2-pyridylhydrazones and 2-pyridinecarboxaldehyde arylhydrazones","CrystEngComm","2016","18","37","7036","","10.1039/C6CE01519K","","","1.54178","CuKα","","0.0862","0.0652","","","0.1341","0.1456","","","","","","1.101","","","","has coordinates","187049","2020-10-21","18:00:00",""
"7226240","16.787","0.004","3.9475","0.0009","17.596","0.004","90","","108.296","0.016","90","","1107.1","0.5","123","2","123","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","2pyridinecarboxaldehyde2(4bromophenyl)hydrazone","","- C12 H10 Br N3 -","- C12 H10 Br N3 -","- C48 H40 Br4 N12 -","4","1","","Beard, Lindsey E.; Ojala, Charles R.; Kassekert, Kara J.; Ojala, William H.","Molecular packing preferences in “bridge-flipped” isomeric aryl-2-pyridylhydrazones and 2-pyridinecarboxaldehyde arylhydrazones","CrystEngComm","2016","18","37","7036","","10.1039/C6CE01519K","","","1.54184","CuKα","","0.0228","0.0222","","","0.0556","0.0567","","","","","","1.066","","","","has coordinates","187049","2020-10-21","18:00:00",""
"7226241","17.057","0.0007","3.867","0.0002","18.2283","0.0007","90","","115.093","0.002","90","","1088.85","0.09","123","2","123","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","2-pyrcarboxaldehyde-2-(4-CNphenyl)hydrazone","","- C13 H10 N4 -","- C13 H10 N4 -","- C52 H40 N16 -","4","1","","Beard, Lindsey E.; Ojala, Charles R.; Kassekert, Kara J.; Ojala, William H.","Molecular packing preferences in “bridge-flipped” isomeric aryl-2-pyridylhydrazones and 2-pyridinecarboxaldehyde arylhydrazones","CrystEngComm","2016","18","37","7036","","10.1039/C6CE01519K","","","1.54178","CuKα","","0.0995","0.0798","","","0.2227","0.2489","","","","","","1.077","","","","has coordinates","187049","2020-10-21","18:00:00",""
"7226242","13.1678","0.0011","4.2065","0.0004","20.2522","0.0018","90","","93.427","0.004","90","","1119.77","0.17","123","2","123","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","2pyridinecarboxaldehyde 2(4-cyanophenyl)hydrazone","","- C13 H10 N4 -","- C13 H10 N4 -","- C52 H40 N16 -","4","1","","Beard, Lindsey E.; Ojala, Charles R.; Kassekert, Kara J.; Ojala, William H.","Molecular packing preferences in “bridge-flipped” isomeric aryl-2-pyridylhydrazones and 2-pyridinecarboxaldehyde arylhydrazones","CrystEngComm","2016","18","37","7036","","10.1039/C6CE01519K","","","1.54178","CuKα","","0.0435","0.04","","","0.1193","0.125","","","","","","1.135","","","","has coordinates","187049","2020-10-21","18:00:00",""
"7226243","12.552","0.005","3.962","0.003","25.17","0.02","90","","102.71","0.03","90","","1221.1","1.4","123","2","123","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","4-CNbenzaldehyde 2-(5Br-2pyridinyl)hydrazone","","- C13 H9 Br N4 -","- C13 H9 Br N4 -","- C52 H36 Br4 N16 -","4","1","","Beard, Lindsey E.; Ojala, Charles R.; Kassekert, Kara J.; Ojala, William H.","Molecular packing preferences in “bridge-flipped” isomeric aryl-2-pyridylhydrazones and 2-pyridinecarboxaldehyde arylhydrazones","CrystEngComm","2016","18","37","7036","","10.1039/C6CE01519K","","","1.54184","CuKα","","0.0489","0.0411","","","0.0882","0.0954","","","","","","1.128","","","","has coordinates","187049","2020-10-21","18:00:00",""
"7226244","6.7356","0.001","10.0422","0.0015","10.4886","0.0016","94.501","0.002","105.094","0.002","98.124","0.002","673.15","0.18","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","5-Br-2-pyrcarboxaldehyde-4-CNphenylhydrazoneH2O","","- C13 H11 Br N4 O -","- C13 H11 Br N4 O -","- C26 H22 Br2 N8 O2 -","2","1","","Beard, Lindsey E.; Ojala, Charles R.; Kassekert, Kara J.; Ojala, William H.","Molecular packing preferences in “bridge-flipped” isomeric aryl-2-pyridylhydrazones and 2-pyridinecarboxaldehyde arylhydrazones","CrystEngComm","2016","18","37","7036","","10.1039/C6CE01519K","","","0.71073","MoKα","","0.0332","0.0267","","","0.0597","0.0621","","","","","","1.046","","","","has coordinates","187049","2020-10-21","18:00:00",""
"7226245","17.664","0.0009","7.294","0.0003","21.4071","0.0009","90","","97.236","0.004","90","","2736.2","0.2","293","2","295","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","2-chloro-6-(4-methoxyphenyl)-5-methylpyridine-3,4-dicarbonitrile","","- C15 H10 Cl N3 O -","- C15 H10 Cl N3 O -","- C120 H80 Cl8 N24 O8 -","8","2","","Ershov, Oleg V.; Ievlev, Mikhail Yu; Belikov, Mikhail Yu; Lipin, Konstantin Vladimirovich; Naydenova, Anastasiya I.; Tafeenko, Viktor","Synthesis and Solid-State Fluorescence of Aryl Substituted 2-Halogenocinchomeronic Dinitriles","RSC Adv.","2016","","","","","10.1039/C6RA16787J","","","1.54186","CuKα","","0.0821","0.0355","","","0.0663","0.0759","","","","","","0.779","","","","has coordinates","185806","2020-10-21","18:00:00",""
"7226246","17.903","0.002","3.9651","0.0005","13.9329","0.0016","90","","98.904","0.004","90","","977.1","0.2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C8 H5 Cl2 O3 Tl -","- C8 H5 Cl2 O3 Tl -","- C32 H20 Cl8 O12 Tl4 -","4","1","","Moeinian, Maryam; Akhbari, Kamran; Kawata, Satoshi; Ishikawa, Ryuta","Solid-state Conversion of Double Helix Thallium(I) Coordination Polymer to Corrugated Tape Silver(I) Polymer","RSC Adv.","2016","","","","","10.1039/C6RA09423F","","","0.71073","MoKα","","0.0913","0.0628","","","0.148","0.1623","","","","","","1.003","","","","has coordinates","185820","2020-10-21","18:00:00",""
"7226247","15.5095","0.0011","14.4666","0.001","18.4758","0.0015","90","","99.08","0.007","90","","4093.5","0.5","293","2","293","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C27 H22 O3 -","- C27 H22 O3 -","- C216 H176 O24 -","8","1","","Shen, Guodong; Zhao, Lingyu; Wang, Yichen; Xia, Wenfang; Yang, Minsen; Zhang, Tongxin","Palladium-Copper Catalyzed C(sp3)-C(sp2) Bond C-H Activation Cross-Coupling Reaction: Selective Arylation to Synthesis 9-Aryl-9H-Xanthene and 9,9-Diaryl-Xanthene Derivatives","RSC Adv.","2016","","","","","10.1039/C6RA17546E","","","1.54184","CuKα","","0.0735","0.0449","","","0.1044","0.1247","","","","","","1.032","","","","has coordinates","185821","2020-10-21","18:00:00",""
"7226248","12.3156","0.0007","8.5081","0.0005","14.8996","0.0009","90","","114.046","0.003","90","","1425.73","0.15","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","1-(2-Bromophenyl)-4,4,6-trimethyl-3,4-dihydropyrimidine-2(1H)-thione","","- C13 H15 Br N2 S -","- C13 H15 Br N2 S -","- C52 H60 Br4 N8 S4 -","4","1","","Andleeb, Sohaila; Imtiaz-ud-Din, Imtiaz-ud-Din; Rauf, Muhammad Khawar; Azam, Syed Sikander; Badshah, Amin; Sadaf, Haseeba; Raheel, Ahmad; Tahir, Muhammad Nawaz; Raza, Saad","A One-pot Multicomponent Facile Synthesis of Dihydropyrimidin-2(1H)-thione Derivatives using Triphenylgermane as a Catalyst and its Binding Pattern Validation","RSC Adv.","2016","","","","","10.1039/C6RA19162B","","","0.71073","MoKα","","0.1158","0.0594","","","0.1457","0.1729","","","","","","1.032","","","","has coordinates","185822","2020-10-21","18:00:00",""
"7226249","9.7432","0.0008","7.155","0.0005","18.8125","0.0014","90","","91.594","0.005","90","","1310.96","0.17","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","1-(2-Fluorophenyl)-4,4,6-trimethyl-3,4-dihydropyrimidine-2(1H)-thione","","- C13 H15 F N2 S -","- C13 H15 F N2 S -","- C52 H60 F4 N8 S4 -","4","1","","Andleeb, Sohaila; Imtiaz-ud-Din, Imtiaz-ud-Din; Rauf, Muhammad Khawar; Azam, Syed Sikander; Badshah, Amin; Sadaf, Haseeba; Raheel, Ahmad; Tahir, Muhammad Nawaz; Raza, Saad","A One-pot Multicomponent Facile Synthesis of Dihydropyrimidin-2(1H)-thione Derivatives using Triphenylgermane as a Catalyst and its Binding Pattern Validation","RSC Adv.","2016","","","","","10.1039/C6RA19162B","","","0.71073","MoKα","","0.0929","0.0618","","","0.1715","0.192","","","","","","1.058","","","","has coordinates","185822","2020-10-21","18:00:00",""
"7226250","6.3088","0.0005","10.101","0.0008","12.0187","0.001","91.338","0.004","98.933","0.003","99.8","0.004","744.59","0.1","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C13 H14 Cl N3 O2 S -","- C13 H14 Cl N3 O2 S -","- C26 H28 Cl2 N6 O4 S2 -","2","1","","Andleeb, Sohaila; Imtiaz-ud-Din, Imtiaz-ud-Din; Rauf, Muhammad Khawar; Azam, Syed Sikander; Badshah, Amin; Sadaf, Haseeba; Raheel, Ahmad; Tahir, Muhammad Nawaz; Raza, Saad","A One-pot Multicomponent Facile Synthesis of Dihydropyrimidin-2(1H)-thione Derivatives using Triphenylgermane as a Catalyst and its Binding Pattern Validation","RSC Adv.","2016","","","","","10.1039/C6RA19162B","","","0.71073","MoKα","","0.0721","0.0485","","","0.1248","0.1387","","","","","","1.047","","","","has coordinates","185822","2020-10-21","18:00:00",""
"7226251","12.0474","0.0015","9.4787","0.0009","14.3337","0.0017","90","","107.574","0.003","90","","1560.4","0.3","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C14 H17 N3 O3 S -","- C14 H17 N3 O3 S -","- C56 H68 N12 O12 S4 -","4","1","","Andleeb, Sohaila; Imtiaz-ud-Din, Imtiaz-ud-Din; Rauf, Muhammad Khawar; Azam, Syed Sikander; Badshah, Amin; Sadaf, Haseeba; Raheel, Ahmad; Tahir, Muhammad Nawaz; Raza, Saad","A One-pot Multicomponent Facile Synthesis of Dihydropyrimidin-2(1H)-thione Derivatives using Triphenylgermane as a Catalyst and its Binding Pattern Validation","RSC Adv.","2016","","","","","10.1039/C6RA19162B","","","0.71073","MoKα","","0.1401","0.0587","","","0.1314","0.1612","","","","","","1.014","","","","has coordinates","185822","2020-10-21","18:00:00",""
"7226252","15.2154","0.0011","11.9065","0.0009","17.0387","0.0014","90","","90","","90","","3086.8","0.4","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C13 H13 Cl3 N2 S -","- C13 H13 Cl3 N2 S -","- C104 H104 Cl24 N16 S8 -","8","1","","Andleeb, Sohaila; Imtiaz-ud-Din, Imtiaz-ud-Din; Rauf, Muhammad Khawar; Azam, Syed Sikander; Badshah, Amin; Sadaf, Haseeba; Raheel, Ahmad; Tahir, Muhammad Nawaz; Raza, Saad","A One-pot Multicomponent Facile Synthesis of Dihydropyrimidin-2(1H)-thione Derivatives using Triphenylgermane as a Catalyst and its Binding Pattern Validation","RSC Adv.","2016","","","","","10.1039/C6RA19162B","","","0.71073","MoKα","","0.0364","0.0284","","","0.0741","0.0809","","","","","","1.033","","","","has coordinates","185822","2020-10-21","18:00:00",""
"7226253","13.4472","0.0005","9.318","0.0004","11.5805","0.0004","90","","90.109","0.004","90","","1451.05","0.1","173","","173","","","","","","","","","4","I 1 a 1","I -2ya","9","","","","- C17 H19 N O2 -","- C17 H19 N O2 -","- C68 H76 N4 O8 -","4","1","","Kumar, Prashant; Griffiths, Kieran; Lymperopoulou, Smaragda; Kostakis, George E.","Tetranuclear Zn2Ln2 Coordination Clusters as catalysts in Petasis Borono-Mannich Multicomponent Reaction","RSC Adv.","2016","","","","","10.1039/C6RA17209A","","x-ray","1.54184","CuKα","","0.0424","0.0413","","","0.1052","0.1061","","","","","","1.037","","","","has coordinates","185823","2020-10-21","18:00:00",""
"7226254","8.1208","0.0008","8.1208","0.0008","6.208","0.0008","90","","90","","90","","409.4","0.08","293","2","293","2","","","","","","","","4","I 4/m c m","-I 4 2c","140","","","","- Ga2.4 Ge1.6 K2.4 Se8 -","- Ga2.4 Ge1.6 K2.4 Se8 -","- Ga2.4 Ge1.6 K2.4 Se8 -","1","0.03125","","He, Jianqiao; Zhang, Xian; Guo, Pan; Cheng, Ye; Zheng, Chong; Huang, Fuqiang","Synthesis, structure, and optical properties of K2.4Ga2.4M1.6Q8(M = Si, Ge; Q = S, Se) crystals and glasses","RSC Adv.","2016","6","80","76789","","10.1039/C6RA11079G","","","0.71073","MoKα","","0.0242","0.0235","","","0.0554","0.0559","","","","","","1.18","","","","has coordinates","185824","2020-10-21","18:00:00",""
"7226255","8.1999","0.0004","8.1999","0.0004","6.146","0.0007","90","","90","","90","","413.25","0.06","293","2","293","2","","","","","","","","4","I 4/m c m","-I 4 2c","140","","","","- Ga2.4 K2.4 Se8 Si1.6 -","- Ga2.32 K2.4 Se8 Si1.6 -","- Ga2.32 K2.4 Se8 Si1.6 -","1","0.03125","","He, Jianqiao; Zhang, Xian; Guo, Pan; Cheng, Ye; Zheng, Chong; Huang, Fuqiang","Synthesis, structure, and optical properties of K2.4Ga2.4M1.6Q8(M = Si, Ge; Q = S, Se) crystals and glasses","RSC Adv.","2016","6","80","76789","","10.1039/C6RA11079G","","","0.71073","MoKα","","0.0526","0.0501","","","0.1326","0.1364","","","","","","1.145","","","","has coordinates","185824","2020-10-21","18:00:00",""
"7226256","7.8824","0.0009","7.8824","0.0009","5.9557","0.0007","90","","90","","90","","370.04","0.07","273","2","273","2","","","","","","","","4","I 4/m c m","-I 4 2c","140","","","","- Ga2.4 Ge1.6 K2.4 S8 -","- Ga2.4 Ge1.6 K2.4 S8 -","- Ga2.4 Ge1.6 K2.4 S8 -","1","0.03125","","He, Jianqiao; Zhang, Xian; Guo, Pan; Cheng, Ye; Zheng, Chong; Huang, Fuqiang","Synthesis, structure, and optical properties of K2.4Ga2.4M1.6Q8(M = Si, Ge; Q = S, Se) crystals and glasses","RSC Adv.","2016","6","80","76789","","10.1039/C6RA11079G","","","0.71073","MoKα","","0.0237","0.0208","","","0.0455","0.0465","","","","","","1.192","","","","has coordinates","185824","2020-10-21","18:00:00",""
"7226257","7.891","0.0007","7.891","0.0007","5.866","0.0005","90","","90","","90","","365.26","0.06","273","2","273","2","","","","","","","","4","I 4/m c m","-I 4 2c","140","","","","- Ga2.4 K2.4 S8 Si1.6 -","- Ga2.4 K2.4 S8 Si1.6 -","- Ga2.4 K2.4 S8 Si1.6 -","1","0.03125","","He, Jianqiao; Zhang, Xian; Guo, Pan; Cheng, Ye; Zheng, Chong; Huang, Fuqiang","Synthesis, structure, and optical properties of K2.4Ga2.4M1.6Q8(M = Si, Ge; Q = S, Se) crystals and glasses","RSC Adv.","2016","6","80","76789","","10.1039/C6RA11079G","","","0.71073","MoKα","","0.025","0.0247","","","0.0717","0.072","","","","","","1.245","","","","has coordinates","185824","2020-10-21","18:00:00",""
"7226258","14.075","0.002","7.9884","0.0011","17.57","0.002","90","","90","","90","","1975.5","0.5","293","2","293","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C24 H16 Cl N3 O2 -","- C24 H16 Cl N3 O2 -","- C96 H64 Cl4 N12 O8 -","4","1","","Blanco, Víctor; Abella, Dolores; Rama, Tamara; Alvariño, Cristina; García, Marcos D.; Peinador, Carlos; Quintela, José María","Guest-induced stereoselective self-assembly of quinoline-containing Pd(II) and Pt(II) metallacycles","RSC Adv.","2016","","","","","10.1039/C6RA14909J","","","0.71073","MoKα","","0.1968","0.0676","","","0.1519","0.2065","","","","","","0.975","","","","has coordinates","185825","2020-10-21","18:00:00",""
"7226259","9.751","0.0015","11.3294","0.0018","14.58","0.002","80.294","0.003","89.934","0.003","83.204","0.003","1576.2","0.4","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C52 H58 N16 O25 Pd2 -","- C52 H58 N16 O25 Pd2 -","- C52 H58 N16 O25 Pd2 -","1","0.5","","Blanco, Víctor; Abella, Dolores; Rama, Tamara; Alvariño, Cristina; García, Marcos D.; Peinador, Carlos; Quintela, José María","Guest-induced stereoselective self-assembly of quinoline-containing Pd(II) and Pt(II) metallacycles","RSC Adv.","2016","","","","","10.1039/C6RA14909J","","","0.71073","MoKα","","0.1237","0.0697","","","0.171","0.2127","","","","","","1.047","","","","has coordinates,has disorder","185825","2020-10-21","18:00:00",""
"7226260","9.7594","0.0002","18.3309","0.0004","19.7117","0.0004","97.415","0.001","90.78","0.001","102.782","0.001","3407.01","0.12","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C52 H63 N16 O31 Pd2 -","- C52 H63 N16 O31 Pd2 -","- C104 H126 N32 O62 Pd4 -","2","1","","Blanco, Víctor; Abella, Dolores; Rama, Tamara; Alvariño, Cristina; García, Marcos D.; Peinador, Carlos; Quintela, José María","Guest-induced stereoselective self-assembly of quinoline-containing Pd(II) and Pt(II) metallacycles","RSC Adv.","2016","","","","","10.1039/C6RA14909J","","","0.71073","MoKα","","0.0925","0.0667","","","0.1722","0.1934","","","","","","1.039","","","","has coordinates","185825","2020-10-21","18:00:00",""
"7226261","12.4048","0.0012","13.2527","0.0013","13.3614","0.0013","66.448","0.002","80.549","0.002","83.081","0.002","1982.6","0.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C64 H76 N16 O36 Pd2 -","- C64 H76 N16 O36 Pd2 -","- C64 H76 N16 O36 Pd2 -","1","0.5","","Blanco, Víctor; Abella, Dolores; Rama, Tamara; Alvariño, Cristina; García, Marcos D.; Peinador, Carlos; Quintela, José María","Guest-induced stereoselective self-assembly of quinoline-containing Pd(II) and Pt(II) metallacycles","RSC Adv.","2016","","","","","10.1039/C6RA14909J","","","0.71073","MoKα","","0.08","0.0645","","","0.1827","0.1947","","","","","","1.051","","","","has coordinates","185825","2020-10-21","18:00:00",""
"7226262","19.126","0.005","20.379","0.005","25.002","0.005","90","","102.801","0.005","90","","9503","4","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C92 H80 N16 O34 Pd2 -","- C92 H80 N14 O28 Pd2 -","- C368 H320 N56 O112 Pd8 -","4","0.5","","Blanco, Víctor; Abella, Dolores; Rama, Tamara; Alvariño, Cristina; García, Marcos D.; Peinador, Carlos; Quintela, José María","Guest-induced stereoselective self-assembly of quinoline-containing Pd(II) and Pt(II) metallacycles","RSC Adv.","2016","","","","","10.1039/C6RA14909J","","","0.71073","MoKα","","0.1321","0.084","","","0.2475","0.2962","","","","","","1.067","","","","has coordinates,has disorder","185825","2020-10-21","18:00:00",""
"7226263","12.049","0.003","7.1678","0.0019","35.147","0.009","90","","90","","90","","3035.5","1.4","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","2-(((propan-2-ylideneamino)oxy)methyl)phenyl benzoate","","- C17 H17 N O3 -","- C17 H17 N O3 -","- C136 H136 N8 O24 -","8","1","","Ji, Yafei; Shao, Ling-Yan; Li, Chao; Guo, Ying; Yu, Kun-Kun; Zhao, Fei-Yi; Qiao, Wen-Li; Liu, Hong-Wei; Liao, Dao-Hua","Pd-Catalyzed Direct Oxidative mono-Aroyloxylation of O-Aralkyl Substituted Acetoxime Ethers","RSC Adv.","2016","","","","","10.1039/C6RA16105G","","","0.71073","MoKα","","0.0913","0.0553","","","0.1462","0.1661","","","","","","1.023","","","","has coordinates","185826","2020-10-21","18:00:00",""
"7226264","8.8698","0.0002","10.69","0.0003","17.5273","0.0005","90","","96.988","0.003","90","","1649.56","0.08","100","2","100","2","","","","","","","","7","P 1 2/c 1","-P 2yc","13","","","","- C31 H36 Au2 Cl2 N4 O P2 -","- C31 H36 Au2 Cl2 N4 O P2 -","- C62 H72 Au4 Cl4 N8 O2 P4 -","2","0.5","","Strelnik, Igor D.; Gurzhiy, Vladislav V.; Sizov, Vladimir V.; Musina, Elvira I.; Karasik, Andrey A.; Tunik, Sergey P.; Grachova, Elena V.","A stimuli-responsive Au(i) complex based on an aminomethylphosphine template: synthesis, crystalline phases and luminescence properties","CrystEngComm","2016","18","39","7629","","10.1039/C6CE01272H","","","0.71073","MoKα","","0.0342","0.0262","","","0.0472","0.0494","","","","","","1.053","","","","has coordinates,has disorder","188067","2020-10-21","18:00:00",""
"7226265","24.029","0.004","16.9105","0.0016","12.0433","0.0018","90","","124.55","0.02","90","","4030.6","1.4","100","2","100","2","","","","","","","","7","C 1 2/m 1","-C 2y","12","","","","- C34 H42 Au2 Cl2 N4 O2 P2 -","- C34 H42 Au2 Cl2 N4 O2 P2 -","- C136 H168 Au8 Cl8 N16 O8 P8 -","4","0.5","","Strelnik, Igor D.; Gurzhiy, Vladislav V.; Sizov, Vladimir V.; Musina, Elvira I.; Karasik, Andrey A.; Tunik, Sergey P.; Grachova, Elena V.","A stimuli-responsive Au(i) complex based on an aminomethylphosphine template: synthesis, crystalline phases and luminescence properties","CrystEngComm","2016","18","39","7629","","10.1039/C6CE01272H","","","0.71073","MoKα","","0.049","0.0352","","","0.082","0.0879","","","","","","1.057","","","","has coordinates,has disorder","188067","2020-10-21","18:00:00",""
"7226266","15.3277","0.0005","8.872","0.0002","14.8008","0.0006","90","","112.309","0.004","90","","1862.07","0.12","100","2","100","2","","","","","","","","6","P 1 2/c 1","-P 2yc","13","","","","- C28 H30 Au2 Cl2 N4 P2 -","- C28 H30 Au2 Cl2 N4 P2 -","- C56 H60 Au4 Cl4 N8 P4 -","2","0.5","","Strelnik, Igor D.; Gurzhiy, Vladislav V.; Sizov, Vladimir V.; Musina, Elvira I.; Karasik, Andrey A.; Tunik, Sergey P.; Grachova, Elena V.","A stimuli-responsive Au(i) complex based on an aminomethylphosphine template: synthesis, crystalline phases and luminescence properties","CrystEngComm","2016","18","39","7629","","10.1039/C6CE01272H","","","1.54184","CuKα","","0.0508","0.0444","","","0.1093","0.1137","","","","","","1.052","","","","has coordinates","188067","2020-10-21","18:00:00",""
"7226267","5.9472","0.0011","7.7189","0.0016","17.425","0.003","92.183","0.008","95.095","0.008","106.851","0.008","760.8","0.3","150","2","150.01","","","","","","","","","6","P -1","-P 1","2","","","","- C14 H48 N2 Na2 O10 S4 -","- C14 H48 N2 Na2 O10 S4 -","- C14 H48 N2 Na2 O10 S4 -","1","0.5","","Angeloski, Alexander; Hook, James M.; Bhadbhade, Mohan; Baker, Anthony T.; McDonagh, Andrew M.","Intramolecular H⋯S interactions in metal di-(isopropyl)dithiocarbamate complexes","CrystEngComm","2016","18","37","7070","","10.1039/C6CE01475E","","","0.71073","MoKα","","0.0451","0.0323","","","0.0655","0.0702","","","","","","1.036","","","","has coordinates","187048","2020-10-21","18:00:00",""
"7226268","10.2754","0.0003","16.2306","0.0004","8.8043","0.0003","90","","111.265","0.003","90","","1368.37","0.08","120","2","120","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- C16 H36 Fe N10 Ni O6 -","- C16 H36 Fe N10 Ni O6 -","- C32 H72 Fe2 N20 Ni2 O12 -","2","0.25","","Nowicka, Beata; Heczko, Michał; Reczyński, Mateusz; Rams, Michał; Gaweł, Bartłomiej; Nitek, Wojciech; Sieklucka, Barbara","Exploration of a new building block for the construction of cyano-bridged solvatomagnetic assemblies: [Ni(cyclam)]3+","CrystEngComm","2016","18","37","7011","","10.1039/C6CE01524G","","x-ray","0.71073","MoKα","","0.0462","0.0307","","","0.0654","0.0731","","","","","","1.067","","","","has coordinates","187052","2020-10-21","18:00:00",""
"7226269","10.5579","0.0005","16.3314","0.0006","8.8748","0.0004","90","","112.254","0.003","90","","1416.26","0.11","120","2","120","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- C16 H36 Cr N10 Ni O6 -","- C16 H36 Cr N10 Ni O6 -","- C32 H72 Cr2 N20 Ni2 O12 -","2","0.25","","Nowicka, Beata; Heczko, Michał; Reczyński, Mateusz; Rams, Michał; Gaweł, Bartłomiej; Nitek, Wojciech; Sieklucka, Barbara","Exploration of a new building block for the construction of cyano-bridged solvatomagnetic assemblies: [Ni(cyclam)]3+","CrystEngComm","2016","18","37","7011","","10.1039/C6CE01524G","","","0.71073","MoKα","","0.0585","0.0367","","","0.0618","0.0679","","","","","","1.044","","","","has coordinates","187052","2020-10-21","18:00:00",""
"7226270","9.8002","0.0014","11.9983","0.0017","10.126","0.0011","90","","102.646","0.019","90","","1161.8","0.3","293","","293","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C16 Cr N10 Ni -","- C16 Cr N10 Ni -","- C32 Cr2 N20 Ni2 -","2","1","","Nowicka, Beata; Heczko, Michał; Reczyński, Mateusz; Rams, Michał; Gaweł, Bartłomiej; Nitek, Wojciech; Sieklucka, Barbara","Exploration of a new building block for the construction of cyano-bridged solvatomagnetic assemblies: [Ni(cyclam)]3+","CrystEngComm","2016","18","37","7011","","10.1039/C6CE01524G","powder diffraction","x-ray","1.5418","CuKaradiation","","0.2233","0.1852","","0.1895","0.1839","","","","3.37","","","","","","","has coordinates","187052","2020-10-21","18:00:00",""
"7226271","8.2009","0.0003","11.6802","0.0004","21.3811","0.0008","90","","90","","90","","2048.06","0.13","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C22 H23 N3 O4 -","- C22 H23 N3 O4 -","- C88 H92 N12 O16 -","4","1","","Amireddy, Mamatha; Chen, Kwunmin","Organocatalytic one-pot asymmetric synthesis of functionalized spiropyrazolones via a Michael-aldol sequential reaction","RSC Adv.","2016","6","81","77474","","10.1039/C6RA13923J","","","0.71073","MoKα","","0.1164","0.0468","","","0.0791","0.0975","","","","","","0.968","","","","has coordinates","185860","2020-10-21","18:00:00",""
"7226272","10.7611","0.0003","13.0931","0.0003","12.5506","0.0004","90","","106.821","0.0011","90","","1692.67","0.08","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C19 H19 N3 O4 -","- C19 H19 N3 O4 -","- C76 H76 N12 O16 -","4","1","","J, SELVAKUMAR; Grandhi, Gowri Sankar; Sahoo, Harekrishna; Baidya, Mahiuddin","Copper-Mediated Etherification of Arenes with Alkoxysilanes Directed by (2-Aminophenyl)pyrazole Group","RSC Adv.","2016","","","","","10.1039/C6RA18861C","","","0.71073","MoKα","","0.0545","0.0387","","","0.0908","0.1005","","","","","","1.026","","","","has coordinates","185861","2020-10-21","18:00:00",""
"7226273","12.098","0.002","8.3128","0.0011","31.328","0.006","90","","90","","90","","3150.6","0.9","296","2","296","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C17 H14 N4 O4 -","- C17 H14 N4 O4 -","- C136 H112 N32 O32 -","8","1","","J, SELVAKUMAR; Grandhi, Gowri Sankar; Sahoo, Harekrishna; Baidya, Mahiuddin","Copper-Mediated Etherification of Arenes with Alkoxysilanes Directed by (2-Aminophenyl)pyrazole Group","RSC Adv.","2016","","","","","10.1039/C6RA18861C","","","0.71073","MoKα","","0.0712","0.0424","","","0.1024","0.1221","","","","","","1.02","","","","has coordinates","185861","2020-10-21","18:00:00",""
"7226274","9.6084","0.001","11.1938","0.0017","19.649","0.003","90","","90","","90","","2113.3","0.5","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C25 H21 N3 O2 -","- C24 H20 N4 O2 -","- C96 H80 N16 O8 -","4","1","","J, SELVAKUMAR; Grandhi, Gowri Sankar; Sahoo, Harekrishna; Baidya, Mahiuddin","Copper-Mediated Etherification of Arenes with Alkoxysilanes Directed by (2-Aminophenyl)pyrazole Group","RSC Adv.","2016","","","","","10.1039/C6RA18861C","","","0.71073","MoKα","","0.0755","0.0469","","","0.0983","0.1148","","","","","","1.049","","","","has coordinates","185861","2020-10-21","18:00:00",""
"7226275","7.4504","0.0009","8.4459","0.0009","10.8382","0.0013","90","","106.345","0.012","90","","654.43","0.14","293","2","293","2","","","","","","","","3","P 1 2/n 1","-P 2yac","13","TTN1","TTN1","","- C14 H8 S4 -","- C14 H8 S4 -","- C28 H16 S8 -","2","0.5","","Sun, Yantao; Cui, Zili; Chen, Lichuan; Lu, Xiaofeng; Wu, Yuewei; Zhang, Haoli; Shao, Xiangfeng","Aryl-Fused Tetrathianaphthalene (TTN): Synthesis, Structures, Properties, and Cocrystals with Fullerenes","RSC Adv.","2016","","","","","10.1039/C6RA18945H","","","0.71073","MoKα","","0.0805","0.0505","","","0.1097","0.1433","","","","","","1.076","","","","has coordinates","185862","2020-10-21","18:00:00",""
"7226276","12.611","0.0005","10.1047","0.0005","7.3307","0.0003","90","","96.481","0.004","90","","928.18","0.07","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","TTN2","TTN2","","- C18 H16 O4 S4 -","- C18 H16 O4 S4 -","- C36 H32 O8 S8 -","2","0.5","","Sun, Yantao; Cui, Zili; Chen, Lichuan; Lu, Xiaofeng; Wu, Yuewei; Zhang, Haoli; Shao, Xiangfeng","Aryl-Fused Tetrathianaphthalene (TTN): Synthesis, Structures, Properties, and Cocrystals with Fullerenes","RSC Adv.","2016","","","","","10.1039/C6RA18945H","","","0.71073","MoKα","","0.05","0.0369","","","0.0874","0.1016","","","","","","1.044","","","","has coordinates","185862","2020-10-21","18:00:00",""
"7226277","8.8305","0.0006","7.1569","0.0005","15.003","0.0009","90","","91.764","0.006","90","","947.73","0.11","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","TTN3","TTN3","","- C15 H12 S8 -","- C15 H12 S8 -","- C30 H24 S16 -","2","0.5","","Sun, Yantao; Cui, Zili; Chen, Lichuan; Lu, Xiaofeng; Wu, Yuewei; Zhang, Haoli; Shao, Xiangfeng","Aryl-Fused Tetrathianaphthalene (TTN): Synthesis, Structures, Properties, and Cocrystals with Fullerenes","RSC Adv.","2016","","","","","10.1039/C6RA18945H","","","1.54184","CuKα","","0.0576","0.0547","","","0.1416","0.1467","","","","","","1.036","","","","has coordinates","212870","2020-10-21","18:00:00",""
"7226278","12.361","0.019","3.954","0.006","15.05","0.02","90","","97.159","0.015","90","","729.8","1.9","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","TTN4","TTN4","","- C14 F8 S4 -","- C14 F8 S4 -","- C28 F16 S8 -","2","0.5","","Sun, Yantao; Cui, Zili; Chen, Lichuan; Lu, Xiaofeng; Wu, Yuewei; Zhang, Haoli; Shao, Xiangfeng","Aryl-Fused Tetrathianaphthalene (TTN): Synthesis, Structures, Properties, and Cocrystals with Fullerenes","RSC Adv.","2016","","","","","10.1039/C6RA18945H","","","0.71073","MoKα","","0.0672","0.0428","","","0.0976","0.1101","","","","","","1.024","","","","has coordinates","185862","2020-10-21","18:00:00",""
"7226279","7.4061","0.0009","7.7951","0.0009","12.6647","0.0011","83.801","0.008","83.45","0.009","77.253","0.01","705.88","0.14","293","2","293","2","","","","","","","","3","P -1","-P 1","2","TTN6","TTN6","","- C14 H10 S5 -","- C14 H10 S5 -","- C28 H20 S10 -","2","1","","Sun, Yantao; Cui, Zili; Chen, Lichuan; Lu, Xiaofeng; Wu, Yuewei; Zhang, Haoli; Shao, Xiangfeng","Aryl-Fused Tetrathianaphthalene (TTN): Synthesis, Structures, Properties, and Cocrystals with Fullerenes","RSC Adv.","2016","","","","","10.1039/C6RA18945H","","","0.71073","MoKα","","0.0673","0.0472","","","0.1016","0.1208","","","","","","1.071","","","","has coordinates","185862","2020-10-21","18:00:00",""
"7226280","17.1106","0.0005","7.1272","0.0002","13.5589","0.0004","90","","104.115","0.003","90","","1603.59","0.08","289.9","","289.9","","","","","","","","","3","I 1 2/a 1","-I 2ya","15","TTF3","TTF3","","- C14 H12 S6 -","- C14 H12 S6 -","- C56 H48 S24 -","4","0.5","","Sun, Yantao; Cui, Zili; Chen, Lichuan; Lu, Xiaofeng; Wu, Yuewei; Zhang, Haoli; Shao, Xiangfeng","Aryl-Fused Tetrathianaphthalene (TTN): Synthesis, Structures, Properties, and Cocrystals with Fullerenes","RSC Adv.","2016","","","","","10.1039/C6RA18945H","","","1.5418","CuKα","","0.0559","0.0528","","","0.1535","0.1619","","","","","","1.094","","","","has coordinates","185862","2020-10-21","18:00:00",""
"7226281","7.8871","0.0015","11.518","0.002","18.586","0.003","90","","90","","90","","1688.4","0.5","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","TTN9","TTN9","","- C18 H12 O4 S4 -","- C18 H12 O4 S4 -","- C72 H48 O16 S16 -","4","1","","Sun, Yantao; Cui, Zili; Chen, Lichuan; Lu, Xiaofeng; Wu, Yuewei; Zhang, Haoli; Shao, Xiangfeng","Aryl-Fused Tetrathianaphthalene (TTN): Synthesis, Structures, Properties, and Cocrystals with Fullerenes","RSC Adv.","2016","","","","","10.1039/C6RA18945H","","","0.71073","MoKα","","0.0923","0.0598","","","0.1292","0.157","","","","","","1.029","","","","has coordinates","185862","2020-10-21","18:00:00",""
"7226282","9.9766","0.0004","10.6457","0.0006","10.9297","0.0006","77.433","0.005","81.22","0.004","80.005","0.004","1107.82","0.1","110","2","110","2","","","","","","","","3","P -1","-P 1","2","(TTN3)(C60)(CS2)","(TTN3)(C60)(CS2)","","- C75 H12 S8 -","- C75 H12 S8 -","- C75 H12 S8 -","1","0.5","","Sun, Yantao; Cui, Zili; Chen, Lichuan; Lu, Xiaofeng; Wu, Yuewei; Zhang, Haoli; Shao, Xiangfeng","Aryl-Fused Tetrathianaphthalene (TTN): Synthesis, Structures, Properties, and Cocrystals with Fullerenes","RSC Adv.","2016","","","","","10.1039/C6RA18945H","","","0.71073","MoKα","","0.0612","0.0526","","","0.1243","0.1301","","","","","","1.107","","","","has coordinates","185862","2020-10-21","18:00:00",""
"7226283","17.5533","0.0019","24.604","0.003","9.7837","0.0006","90","","90","","90","","4225.4","0.7","110","2","110","2","","","","","","","","3","P n m a","-P 2ac 2n","62","(TTN3)(C60)","(TTN3)(C60)","","- C74 H12 S6 -","- C74 H12 S6 -","- C296 H48 S24 -","4","0.5","","Sun, Yantao; Cui, Zili; Chen, Lichuan; Lu, Xiaofeng; Wu, Yuewei; Zhang, Haoli; Shao, Xiangfeng","Aryl-Fused Tetrathianaphthalene (TTN): Synthesis, Structures, Properties, and Cocrystals with Fullerenes","RSC Adv.","2016","","","","","10.1039/C6RA18945H","","","0.71073","MoKα","","0.0909","0.0559","","","0.1136","0.1348","","","","","","1.046","","","","has coordinates","185862","2020-10-21","18:00:00",""
"7226284","10.0905","0.0003","13.6277","0.0003","18.3146","0.0006","86.28","0.002","77.027","0.003","87.191","0.002","2447.46","0.12","110","2","110","2","","","","","","","","3","P -1","-P 1","2","(TTN3)(C70)(CS2)","(TTN3)(C70)(CS2)","","- C85 H12 S8 -","- C85 H12 S8 -","- C170 H24 S16 -","2","1","","Sun, Yantao; Cui, Zili; Chen, Lichuan; Lu, Xiaofeng; Wu, Yuewei; Zhang, Haoli; Shao, Xiangfeng","Aryl-Fused Tetrathianaphthalene (TTN): Synthesis, Structures, Properties, and Cocrystals with Fullerenes","RSC Adv.","2016","","","","","10.1039/C6RA18945H","","","1.5418","CuKα","","0.0532","0.0516","","","0.138","0.14","","","","","","1.038","","","","has coordinates","185862","2020-10-21","18:00:00",""
"7226285","10.158","0.0009","12.698","0.0009","19.16","0.0013","93.18","","99.488","0.012","104.98","","2342.2","0.3","77","1","77","1","","","","","","","","3","P -1","-P 1","2","(TTN3)(C70)","(TTN3)(C70)","","- C84 H12 S6 -","- C84 H12 S6 -","- C168 H24 S12 -","2","1","","Sun, Yantao; Cui, Zili; Chen, Lichuan; Lu, Xiaofeng; Wu, Yuewei; Zhang, Haoli; Shao, Xiangfeng","Aryl-Fused Tetrathianaphthalene (TTN): Synthesis, Structures, Properties, and Cocrystals with Fullerenes","RSC Adv.","2016","","","","","10.1039/C6RA18945H","","","0.95382","Synchrotron","","0.0702","0.0688","","","0.2102","0.212","","","","","","1.112","","","","has coordinates","185862","2020-10-21","18:00:00",""
"7226286","14.7684","0.0005","13.5962","0.0004","22.7333","0.001","90","","103.105","0.004","90","","4445.8","0.3","110","2","110","2","","","","","","","","4","I 1 2/a 1","-I 2ya","15","(TTN2)(C60)","(TTN2)(C60)","","- C78 H16 O4 S4 -","- C78 H16 O4 S4 -","- C312 H64 O16 S16 -","4","0.5","","Sun, Yantao; Cui, Zili; Chen, Lichuan; Lu, Xiaofeng; Wu, Yuewei; Zhang, Haoli; Shao, Xiangfeng","Aryl-Fused Tetrathianaphthalene (TTN): Synthesis, Structures, Properties, and Cocrystals with Fullerenes","RSC Adv.","2016","","","","","10.1039/C6RA18945H","","","1.5418","CuKα","","0.0726","0.0681","","","0.1877","0.1909","","","","","","1.138","","","","has coordinates","185862","2020-10-21","18:00:00",""
"7226287","17.97","0.04","9.81","0.02","17.28","0.06","90","","116.4","0.3","90","","2729","14","110","2","110","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","(TTN6)(C60)","(TTN6)(C60)","","- C44 H10 S5 -","- C88 H20 S10 -","- C176 H40 S20 -","2","0.5","","Sun, Yantao; Cui, Zili; Chen, Lichuan; Lu, Xiaofeng; Wu, Yuewei; Zhang, Haoli; Shao, Xiangfeng","Aryl-Fused Tetrathianaphthalene (TTN): Synthesis, Structures, Properties, and Cocrystals with Fullerenes","RSC Adv.","2016","","","","","10.1039/C6RA18945H","","","1.5418","CuKα","","0.1207","0.1064","","","0.2869","0.3027","","","","","","1.074","","","","has coordinates","185862","2020-10-21","18:00:00",""
"7226288","27.518","0.012","9.894","0.004","45.122","0.019","90","","106.22","0.02","90","","11796","9","293","2","293","2","","","","","","","","3","I 1 2/a 1","-I 2ya","15","","","","- C36 H28.5 N3.5 -","- C36 H28.5 N3.5 -","- C576 H456 N56 -","16","2","","Zhang, Tengfei; zhang, ran; Zhang, Zhao-Ming; Ni, Zhong-Hai","A series of tetraphenylethene-based benzimidazoles: syntheses, structures, aggregation-induced emission and reversible mechanochromism","RSC Adv.","2016","","","","","10.1039/C6RA16514A","","","0.71073","MoKα","","0.1743","0.0619","","","0.1232","0.1575","","","","","","1.007","","","","has coordinates","192220","2020-10-21","18:00:00",""
"7226289","7.275","0.002","9.28","0.003","23.64","0.007","83.829","0.006","88.466","0.006","79.361","0.006","1559.4","0.8","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C36.5 H34 N2 O1.5 -","- C36.5 H34 N2 O1.5 -","- C73 H68 N4 O3 -","2","1","","Zhang, Tengfei; zhang, ran; Zhang, Zhao-Ming; Ni, Zhong-Hai","A series of tetraphenylethene-based benzimidazoles: syntheses, structures, aggregation-induced emission and reversible mechanochromism","RSC Adv.","2016","","","","","10.1039/C6RA16514A","","","0.71073","MoKα","","0.2151","0.0833","","","0.1692","0.2063","","","","","","0.986","","","","has coordinates","185863","2020-10-21","18:00:00",""
"7226290","8.4368","0.001","8.4962","0.0002","11.8803","0.001","100.565","0.011","107.57","","105.95","","746.94","0.12","295","","295","","","","","","","","","5","P -1","-P 1","2","","","","- C13 H6 F4 I2 N2 -","- C13 H6 F4 I2 N2 -","- C26 H12 F8 I4 N4 -","2","1","","Nemec, Vinko; Cinčić, Dominik","Uncommon halogen bond motifs in cocrystals of aromatic amines and 1,4-diiodotetrafluorobenzene","CrystEngComm","2016","18","39","7425","","10.1039/C6CE01703G","","","0.71073","MoKα","","0.0432","0.0265","","","0.0563","0.0592","","","","","","0.882","","","","has coordinates","188069","2020-10-21","18:00:00",""
"7226291","7.5682","0.0017","13.372","0.003","14.198","0.002","90","","105.457","0.001","90","","1384.9","0.5","295","","295","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C11 H6 F4 I2 N2 -","- C11 H6 F4 I2 N2 -","- C44 H24 F16 I8 N8 -","4","1","","Nemec, Vinko; Cinčić, Dominik","Uncommon halogen bond motifs in cocrystals of aromatic amines and 1,4-diiodotetrafluorobenzene","CrystEngComm","2016","18","39","7425","","10.1039/C6CE01703G","","","0.71073","MoKα","","0.0708","0.053","","","0.1326","0.1387","","","","","","0.922","","","","has coordinates","188069","2020-10-21","18:00:00",""
"7226292","6.1553","0.0003","9.6907","0.0006","10.8382","0.0005","113.014","0.005","96.686","0.004","104.202","0.005","560.28","0.06","295","","295","","","","","","","","","6","P -1","-P 1","2","","","","- C22 H18 F4 I2 N2 O2 -","- C22 H18 F4 I2 N2 O2 -","- C22 H18 F4 I2 N2 O2 -","1","0.5","","Nemec, Vinko; Cinčić, Dominik","Uncommon halogen bond motifs in cocrystals of aromatic amines and 1,4-diiodotetrafluorobenzene","CrystEngComm","2016","18","39","7425","","10.1039/C6CE01703G","","","0.71073","MoKα","","0.0225","0.0199","","","0.0487","0.0492","","","","","","1.078","","","","has coordinates","188069","2020-10-21","18:00:00",""
"7226293","8.43","0.0007","5.6597","0.0004","31.14","0.002","90","","94.781","0.007","90","","1480.56","0.19","295","","295","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C32 H22 F4 I2 N2 O2 -","- C32 H22 F4 I2 N2 O2 -","- C64 H44 F8 I4 N4 O4 -","2","0.5","","Nemec, Vinko; Cinčić, Dominik","Uncommon halogen bond motifs in cocrystals of aromatic amines and 1,4-diiodotetrafluorobenzene","CrystEngComm","2016","18","39","7425","","10.1039/C6CE01703G","","","0.71073","MoKα","","0.0693","0.0333","","","0.0905","0.0956","","","","","","0.898","","","","has coordinates","188069","2020-10-21","18:00:00",""
"7226294","9.4529","0.0006","10.6844","0.0008","12.1719","0.0017","96.727","0.002","112.766","0.004","103.57","0.006","1071.87","0.19","295","","295","","","","","","","","","6","P -1","-P 1","2","","","","- C18 H12 F4 I2 N4 O4 -","- C18 H12 F4 I2 N4 O4 -","- C36 H24 F8 I4 N8 O8 -","2","1","","Nemec, Vinko; Cinčić, Dominik","Uncommon halogen bond motifs in cocrystals of aromatic amines and 1,4-diiodotetrafluorobenzene","CrystEngComm","2016","18","39","7425","","10.1039/C6CE01703G","","","0.71073","MoKα","","0.1048","0.0373","","","0.0795","0.141","","","","","","0.818","","","","has coordinates","188069","2020-10-21","18:00:00",""
"7226295","6.0259","0.0003","8.6495","0.0004","20.3527","0.0013","90","","93.507","0.005","90","","1058.82","0.1","295","","295","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C18 H16 F4 I2 N4 O2 -","- C18 H16 F4 I2 N4 O2 -","- C36 H32 F8 I4 N8 O4 -","2","0.5","","Nemec, Vinko; Cinčić, Dominik","Uncommon halogen bond motifs in cocrystals of aromatic amines and 1,4-diiodotetrafluorobenzene","CrystEngComm","2016","18","39","7425","","10.1039/C6CE01703G","","","0.71073","MoKα","","0.0489","0.0286","","","0.0666","0.0916","","","","","","0.995","","","","has coordinates","188069","2020-10-21","18:00:00",""
"7226296","11.2748","0.0002","6.6501","0.0001","14.17","0.0002","90","","108.596","0.001","90","","1006.98","0.03","173","2","173","2","","","","","","","","6","P 1 2/n 1","-P 2yac","13","","","","- C14 H20 Br2 Hg N2 Si2 -","- C14 H20 Br2 Hg N2 Si2 -","- C28 H40 Br4 Hg2 N4 Si4 -","2","0.5","","Choi, Eunkyung; Lee, Haeri; Noh, Tae Hwan; Jung, Ok-Sang","In situ crystalline transformation of bis(halo)mercury(ii) coordination polymers to ionic chloro-bridged-bis(halo)mercury(ii) species via UV irradiation in chloroform media","CrystEngComm","2016","18","37","6997","","10.1039/C6CE01378C","","","0.71073","MoKα","","0.0509","0.0468","","","0.1097","0.1113","","","","","","1.008","","","","has coordinates,has disorder","187045","2020-10-21","18:00:00",""
"7226297","12.8706","0.0007","8.2506","0.0005","13.8348","0.001","90","","113.876","0.005","90","","1343.4","0.16","173","2","173","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C14 H22 Br5 Cl Hg2 N2 Si2 -","- C14 H22 Br5 Cl Hg2 N2 Si2 -","- C28 H44 Br10 Cl2 Hg4 N4 Si4 -","2","0.5","","Choi, Eunkyung; Lee, Haeri; Noh, Tae Hwan; Jung, Ok-Sang","In situ crystalline transformation of bis(halo)mercury(ii) coordination polymers to ionic chloro-bridged-bis(halo)mercury(ii) species via UV irradiation in chloroform media","CrystEngComm","2016","18","37","6997","","10.1039/C6CE01378C","","","0.71073","MoKα","","0.1226","0.0594","","","0.1345","0.1436","","","","","","0.693","","","","has coordinates","187045","2020-10-21","18:00:00",""
"7226298","9.5172","0.0004","13.6206","0.0004","16.3559","0.0005","90","","98.7","0.002","90","","2095.82","0.13","173","2","173","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C14 H20 Hg I2 N2 Si2 -","- C14 H20 Hg I2 N2 Si2 -","- C56 H80 Hg4 I8 N8 Si8 -","4","0.5","","Choi, Eunkyung; Lee, Haeri; Noh, Tae Hwan; Jung, Ok-Sang","In situ crystalline transformation of bis(halo)mercury(ii) coordination polymers to ionic chloro-bridged-bis(halo)mercury(ii) species via UV irradiation in chloroform media","CrystEngComm","2016","18","37","6997","","10.1039/C6CE01378C","","","0.71073","MoKα","","0.0431","0.0423","","","0.1131","0.1141","","","","","","1.046","","","","has coordinates","187045","2020-10-21","18:00:00",""
"7226299","8.3261","0.0002","22.1706","0.0004","8.2547","0.0002","90","","111.042","0.001","90","","1422.16","0.06","194","2","194","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C14 H22 Cl2 Hg2 I4 N2 Si2 -","- C14 H22 Cl2 Hg2 I4 N2 Si2 -","- C28 H44 Cl4 Hg4 I8 N4 Si4 -","2","0.5","","Choi, Eunkyung; Lee, Haeri; Noh, Tae Hwan; Jung, Ok-Sang","In situ crystalline transformation of bis(halo)mercury(ii) coordination polymers to ionic chloro-bridged-bis(halo)mercury(ii) species via UV irradiation in chloroform media","CrystEngComm","2016","18","37","6997","","10.1039/C6CE01378C","","","0.71073","MoKα","","0.0434","0.0372","","","0.0958","0.0988","","","","","","1.046","","","","has coordinates","187045","2020-10-21","18:00:00",""
"7226300","3.68795","0.00012","3.68795","0.00012","15.1134","0.0008","90","","90","","90","","205.557","0.014","298","","298","","","","","","","","","3","I 4/m m m","-I 4 2","139","","ammonia intercalated iron sulfide","","- Fe4.48 N2 S4 -","- Fe4.484 N2 S4 -","- Fe4.484 N2 S4 -","1","0.03125","","Lai, Xiaofang; Lin, Zhiping; Bu, Kejun; Wang, Xin; Zhang, Hui; Li, Dandan; Wang, Yingqi; Gu, Yuhao; Lin, Jianhua; Huang, Fu Qiang","Ammonia and iron cointercalated iron sulfide (NH3)Fe0.25Fe2S2: hydrothermal synthesis, crystal structure, weak ferromagnetism and crossover from negative to positive magnetoresistance","RSC Adv.","2016","","","","","10.1039/C6RA17568F","powder diffraction","","1.5418","CuKα","","","","","","","","","3.3431","1.18","","","","","","","has coordinates","185890","2020-10-21","18:00:00",""
"7226301","12.7894","0.0008","17.4413","0.0012","10.9644","0.0007","90","","96.421","0.006","90","","2430.4","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C49 H43 Br2 N2 O14 -","- C49 H36 Br2 N2 O14 -","- C98 H72 Br4 N4 O28 -","2","0.5","","Yin, Shao-Jie; Zhang, Shao-Yun; Zhang, Jun-Qi; Sun, Bing-Bing; Fan, Wei-Tai; Wu, Bing; Wang, Xingwang","Organocatalytic Tandem Enantioselective Michael-Cyclization of Isatin-Derived β, γ-Unsaturated α-Ketoesters with 3-Hydroxy-4H-Chromen-4-One or 2-Hydroxy-1,4-Naphthoquinone Derivatives","RSC Adv.","2016","","","","","10.1039/C6RA17400K","","","1.54184","CuKα","","0.0942","0.0653","","","0.1966","0.2246","","","","","","1.082","","","","has coordinates","185891","2020-10-21","18:00:00",""
"7226302","12.8975","0.0004","12.8975","0.0004","5.218","0.0002","90","","90","","120","","751.7","0.04","293","2","293","2","","","","","","","","5","P 63","P 6c","173","","","","- Ag3 F O15 Se4 Ti3 -","- Ag3 F O15 Se4 Ti3 -","- Ag6 F2 O30 Se8 Ti6 -","2","0.333333","","Qian, Cheng; Kong, Fang; Mao, Jianggao","A Series of New Silver Selenites with d0-TM Cations","RSC Adv.","2016","","","","","10.1039/C6RA17867G","","","0.71073","MoKα","","0.0367","0.036","","","0.0999","0.1005","","","","","","1.078","","","","has coordinates","185892","2020-10-21","18:00:00",""
"7226303","7.364","0.0005","31.451","0.002","6.2719","0.0005","90","","90","","90","","1452.6","0.18","293","2","293","2","","","","","","","","5","C m c e","-C 2ac 2","64","","","","- Ag2 F2 O6 Se2 Zr -","- Ag2 F2 O6 Se2 Zr -","- Ag16 F16 O48 Se16 Zr8 -","8","0.5","","Qian, Cheng; Kong, Fang; Mao, Jianggao","A Series of New Silver Selenites with d0-TM Cations","RSC Adv.","2016","","","","","10.1039/C6RA17867G","","","0.71073","MoKα","","0.0335","0.0237","","","0.0433","0.0477","","","","","","1.097","","","","has coordinates","185892","2020-10-21","18:00:00",""
"7226304","10.813","0.005","7.792","0.004","7.363","0.004","90","","90","","90","","620.4","0.5","293","2","293","2","","","","","","","","4","C m c m","-C 2c 2","63","","","","- Ag Nb O7 Se2 -","- Ag Nb O7 Se2 -","- Ag4 Nb4 O28 Se8 -","4","0.25","","Qian, Cheng; Kong, Fang; Mao, Jianggao","A Series of New Silver Selenites with d0-TM Cations","RSC Adv.","2016","","","","","10.1039/C6RA17867G","","","0.71073","MoKα","","0.0301","0.0294","","","0.0723","0.0726","","","","","","1.185","","","","has coordinates","185892","2020-10-21","18:00:00",""
"7226305","10.7921","0.0011","7.8283","0.0007","7.2717","0.0006","90","","90","","90","","614.34","0.1","293","2","293","2","","","","","","","","4","C m c m","-C 2c 2","63","","","","- Ag O7 Se2 Ta -","- Ag O7 Se2 Ta -","- Ag4 O28 Se8 Ta4 -","4","0.25","","Qian, Cheng; Kong, Fang; Mao, Jianggao","A Series of New Silver Selenites with d0-TM Cations","RSC Adv.","2016","","","","","10.1039/C6RA17867G","","","0.71073","MoKα","","0.034","0.0292","","","0.0689","0.0727","","","","","","1.132","","","","has coordinates","185892","2020-10-21","18:00:00",""
"7226306","15.465","0.004","14.136","0.004","11.506","0.003","90","","90.14","0.007","90","","2515.4","1.2","170","2","170","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C25 H30 N4 O6 Si -","- C25 H30 N4 O6 Si -","- C100 H120 N16 O24 Si4 -","4","1","","Singh, Gurjaspreet; Arora, Aanchal; Chaudhary, Sunita; Maurya, Indresh K.; Aulakh, Darpandeep; Wriedt, Mario","Heteroaryl chalcone allied triazole conjugated organosilatranes: Synthesis, Spectral Analysis, Antimicrobial Screening, Photophysical and Theoretical Investigations","RSC Adv.","2016","","","","","10.1039/C6RA13949C","","","0.71073","MoKα","","0.3379","0.0738","","","0.1807","0.2767","","","","","","0.764","","","","has coordinates","185894","2020-10-21","18:00:00",""
"7226307","16.244","0.0017","13.0978","0.001","11.736","0.0012","90","","90.611","0.005","90","","2496.8","0.4","170","2","170","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C25 H26 N4 O5 S Si -","- C25 H26 N4 O5 S Si -","- C100 H104 N16 O20 S4 Si4 -","4","1","","Singh, Gurjaspreet; Arora, Aanchal; Chaudhary, Sunita; Maurya, Indresh K.; Aulakh, Darpandeep; Wriedt, Mario","Heteroaryl chalcone allied triazole conjugated organosilatranes: Synthesis, Spectral Analysis, Antimicrobial Screening, Photophysical and Theoretical Investigations","RSC Adv.","2016","","","","","10.1039/C6RA13949C","","","0.71073","MoKα","","0.2445","0.0587","","","0.1137","0.1497","","","","","","0.729","","","","has coordinates,has disorder","185894","2020-10-21","18:00:00",""
"7226308","14.7508","0.0009","16.1947","0.001","17.6138","0.0011","75.197","0.002","79.775","0.003","80.709","0.003","3973.5","0.4","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","A-2-4 HOOC-CVT, 2-H2N-4-Cl-5-Br-6-H3C-pyrimidine","","- C151 H191 Br3 Cl3 N17 O36 -","- C151 H191 Br3 Cl3 N17 O36 -","- C151 H191 Br3 Cl3 N17 O36 -","1","0.5","","Aakeröy, Christer B.; Chopade, Prashant D.; Desper, John","Ethylene-bridged asymmetric cavitands as building blocks for supramolecular polymers and capsules","CrystEngComm","2016","18","39","7457","","10.1039/C6CE00860G","","","0.71073","MoKα","","0.0979","0.0664","","","0.1843","0.2085","","","","","","1.069","","","","has coordinates,has disorder","188070","2020-10-21","18:00:00",""
"7226309","29.225","0.003","11.4565","0.0011","23.889","0.002","90","","99.091","0.005","90","","7898","1.3","120","2","120","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","A-2-6 CVT-COOH, 4,4'-bipyridyl","","- C85 H102 N5 O19 -","- C85 H102 N5 O19 -","- C340 H408 N20 O76 -","4","0.5","","Aakeröy, Christer B.; Chopade, Prashant D.; Desper, John","Ethylene-bridged asymmetric cavitands as building blocks for supramolecular polymers and capsules","CrystEngComm","2016","18","39","7457","","10.1039/C6CE00860G","","","0.71073","MoKα","","0.1113","0.0807","","","0.2301","0.2602","","","","","","1.067","","","","has coordinates,has disorder","188070","2020-10-21","18:00:00",""
"7226310","14.5185","0.0006","9.4875","0.0003","25.168","0.0012","90","","115.815","0.003","90","","3120.8","0.2","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C38 H39 N3 O1.5 -","- C38 H37 N3 O1.5 -","- C152 H148 N12 O6 -","4","1","","Panda, Tarun Kanti Kanti; Anga, Srinivas; Banerjee, Indrani; Nayek, Hari Pada","Alkali Metal Complexes Having Sterically Bulky Bis-Iminopyrrolyl Ligands ‒ Control of Dimeric to Monomeric Complex","RSC Adv.","2016","","","","","10.1039/C6RA13437H","","","0.71073","MoKα","","0.0829","0.061","","","0.1577","0.1796","","","","","","1.015","","","","has coordinates,has disorder","185922","2020-10-21","18:00:00",""
"7226311","13.7972","0.0006","14.1023","0.0008","17.3629","0.0008","66.499","0.005","88.058","0.004","64.994","0.005","2770.6","0.3","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C68 H60 N6 Na2 O -","- C68 H60 N6 Na2 O -","- C136 H120 N12 Na4 O2 -","2","1","","Panda, Tarun Kanti Kanti; Anga, Srinivas; Banerjee, Indrani; Nayek, Hari Pada","Alkali Metal Complexes Having Sterically Bulky Bis-Iminopyrrolyl Ligands ‒ Control of Dimeric to Monomeric Complex","RSC Adv.","2016","","","","","10.1039/C6RA13437H","","","1.54184","CuKα","","0.0645","0.0498","","","0.131","0.1411","","","","","","1.058","","","","has coordinates","185922","2020-10-21","18:00:00",""
"7226312","13.68","0.0005","16.187","0.0003","16.4227","0.0006","90","","108.696","0.004","90","","3444.7","0.2","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C40 H42 K N3 O2 -","- C40 H42 K N3 O2 -","- C160 H168 K4 N12 O8 -","4","0.5","","Panda, Tarun Kanti Kanti; Anga, Srinivas; Banerjee, Indrani; Nayek, Hari Pada","Alkali Metal Complexes Having Sterically Bulky Bis-Iminopyrrolyl Ligands ‒ Control of Dimeric to Monomeric Complex","RSC Adv.","2016","","","","","10.1039/C6RA13437H","","","1.54184","CuKα","","0.0436","0.0405","","","0.1123","0.1162","","","","","","1.052","","","","has coordinates","185922","2020-10-21","18:00:00",""
"7226313","13.8108","0.0005","21.2028","0.0008","21.5594","0.0007","98.47","0.003","92.153","0.003","107.438","0.003","5935","0.4","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C72 H68 Li2 N6 O2 -","- C72 H68 Li2 N6 O2 -","- C288 H272 Li8 N24 O8 -","4","2","","Panda, Tarun Kanti Kanti; Anga, Srinivas; Banerjee, Indrani; Nayek, Hari Pada","Alkali Metal Complexes Having Sterically Bulky Bis-Iminopyrrolyl Ligands ‒ Control of Dimeric to Monomeric Complex","RSC Adv.","2016","","","","","10.1039/C6RA13437H","","","1.54184","CuKα","","0.0745","0.0598","","","0.1638","0.1796","","","","","","1.046","","","","has coordinates,has disorder","185922","2020-10-21","18:00:00",""
"7226314","25.4797","0.0019","6.8484","0.0004","27.753","0.002","90","","112.294","0.008","90","","4480.8","0.6","293","2","293","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C26 H35 N3 -","- C26 H35 N3 -","- C208 H280 N24 -","8","1","","Panda, Tarun Kanti Kanti; Anga, Srinivas; Banerjee, Indrani; Nayek, Hari Pada","Alkali Metal Complexes Having Sterically Bulky Bis-Iminopyrrolyl Ligands ‒ Control of Dimeric to Monomeric Complex","RSC Adv.","2016","","","","","10.1039/C6RA13437H","","","1.54184","CuKα","","0.1128","0.0855","","","0.2789","0.3061","","","","","","0.936","","","","has coordinates","185922","2020-10-21","18:00:00",""
"7226315","7.3665","0.0004","17.5179","0.0005","32.0143","0.0014","90","","90","","90","","4131.3","0.3","293","2","293","2","","","","","","","","4","P b c m","-P 2c 2b","57","","","","- C52 H51 N3 O2 -","- C52 H43 N3 O2 -","- C208 H172 N12 O8 -","4","0.5","","Panda, Tarun Kanti Kanti; Anga, Srinivas; Banerjee, Indrani; Nayek, Hari Pada","Alkali Metal Complexes Having Sterically Bulky Bis-Iminopyrrolyl Ligands ‒ Control of Dimeric to Monomeric Complex","RSC Adv.","2016","","","","","10.1039/C6RA13437H","","","1.54184","CuKα","","0.0975","0.0727","","","0.2078","0.2194","","","","","","1.096","","","","has coordinates,has disorder","185922","2020-10-21","18:00:00",""
"7226316","9.08","0.0008","12.8271","0.001","18.6899","0.0014","92.384","0.006","95.649","0.007","106.228","0.007","2074.5","0.3","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C52 H50 Li N3 O2 -","- C52 H50 Li N3 O2 -","- C104 H100 Li2 N6 O4 -","2","1","","Panda, Tarun Kanti Kanti; Anga, Srinivas; Banerjee, Indrani; Nayek, Hari Pada","Alkali Metal Complexes Having Sterically Bulky Bis-Iminopyrrolyl Ligands ‒ Control of Dimeric to Monomeric Complex","RSC Adv.","2016","","","","","10.1039/C6RA13437H","","","1.54184","CuKα","","0.0636","0.0501","","","0.1251","0.137","","","","","","1.036","","","","has coordinates","185922","2020-10-21","18:00:00",""
"7226317","8.8522","0.0003","9.4272","0.0003","29.1528","0.0008","81.636","0.003","88.161","0.002","74.457","0.003","2318.88","0.13","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C56 H58 N3 Na O3 -","- C56 H58 N3 Na O3 -","- C112 H116 N6 Na2 O6 -","2","1","","Panda, Tarun Kanti Kanti; Anga, Srinivas; Banerjee, Indrani; Nayek, Hari Pada","Alkali Metal Complexes Having Sterically Bulky Bis-Iminopyrrolyl Ligands ‒ Control of Dimeric to Monomeric Complex","RSC Adv.","2016","","","","","10.1039/C6RA13437H","","","1.54184","CuKα","","0.0507","0.0484","","","0.1251","0.1268","","","","","","1.047","","","","has coordinates","185922","2020-10-21","18:00:00",""
"7226318","9.7401","0.0003","17.9994","0.0006","28.4384","0.0009","97.723","0.003","95.643","0.002","104.922","0.003","4727.6","0.3","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C56 H58 K N3 O3 -","- C56 H58 K N3 O3 -","- C224 H232 K4 N12 O12 -","4","2","","Panda, Tarun Kanti Kanti; Anga, Srinivas; Banerjee, Indrani; Nayek, Hari Pada","Alkali Metal Complexes Having Sterically Bulky Bis-Iminopyrrolyl Ligands ‒ Control of Dimeric to Monomeric Complex","RSC Adv.","2016","","","","","10.1039/C6RA13437H","","","1.54184","CuKα","","0.087","0.0804","","","0.2327","0.2401","","","","","","1.026","","","","has coordinates,has disorder","185922","2020-10-21","18:00:00",""
"7226319","9.1535","0.0016","18.8","0.004","17.924","0.004","90","","90.145","0.006","90","","3084.5","1.1","305","2","305","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C51.9 H16 Mg4 N3.98 O20 -","- C51.9 H16 Mg4 N3.98 O20 -","- C103.8 H32 Mg8 N7.96 O40 -","2","0.5","","Biswas, Apurba; Kim, Min-Bum; Kim, Seo-Yul; Yoon, Tae-Ung; Kim, Seung-Ik; Bae, Youn-Sang","A Novel 3D Microporous Magnesium-Based Metal-Organic Framework with Open Metal Sites","RSC Adv.","2016","","","","","10.1039/C6RA12946C","","","0.71073","MoKα","","0.1091","0.0805","","","0.216","0.2401","","","","","","1.053","","","","has coordinates,has disorder","185924","2020-10-21","18:00:00",""
"7226320","5.7556","0.0001","15.8271","0.0004","26.2952","0.0006","90","","90","","90","","2395.35","0.09","100","2","100","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","(+)-erythro-N-(N-allylthiocarbamoyl) mefloquine, (11R,12S)","","- C23 H24 F6 N4 O S -","- C23 H24 F6 N4 O S -","- C92 H96 F24 N16 O4 S4 -","4","1","","Kohout, Michal; Vandenbussche, Jelle; Roller, Alexander; Tůma, Jiří; Bogaerts, Jonathan; Bultinck, Patrick; Herrebout, Wouter; Lindner, Wolfgang","Absolute configuration of the antimalarial erythro-mefloquine ‒ Vibrational Circular Dichroism and X-ray diffraction studies of mefloquine and its thiourea derivative","RSC Adv.","2016","","","","","10.1039/C6RA19367F","","","1.54178","CuKα","","0.0273","0.0265","","","0.0695","0.0699","","","","","","1.064","","","","has coordinates","185925","2020-10-21","18:00:00",""
"7226321","5.7658","0.0001","15.8201","0.0004","26.2887","0.0006","90","","90","","90","","2397.94","0.09","100","","100","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","(-)-erythro-N-(N-allylthiocarbamoyl) mefloquine, (11S, 12R)","","- C23 H24 F6 N4 O S -","- C23 H24 F6 N4 O S -","- C92 H96 F24 N16 O4 S4 -","4","1","","Kohout, Michal; Vandenbussche, Jelle; Roller, Alexander; Tůma, Jiří; Bogaerts, Jonathan; Bultinck, Patrick; Herrebout, Wouter; Lindner, Wolfgang","Absolute configuration of the antimalarial erythro-mefloquine ‒ Vibrational Circular Dichroism and X-ray diffraction studies of mefloquine and its thiourea derivative","RSC Adv.","2016","","","","","10.1039/C6RA19367F","","","1.54178","CuKα","","0.0414","0.0356","","","0.0809","0.0835","","","","","","1.04","","","","has coordinates","185925","2020-10-21","18:00:00",""
"7226322","11.6009","0.0007","13.0363","0.0008","15.2941","0.0009","106.333","0.002","96.656","0.002","106.04","0.002","2085.7","0.2","120.15","","120.15","","","","","","","","","6","P -1","-P 1","2","","","","- C22 H23 I N O2 Se -","- C22 H23 I N O2 Se -","- C88 H92 I4 N4 O8 Se4 -","4","2","","Kuz'mina, Lyudmila G.; Vedernikov, Artem I.; Howard, Judith A. K.; Bezzubov, Stanislav I.; Alfimov, Michael V.; Gromov, Sergey P.","Peculiarities of styryl dyes of the benzoselenazole series crystal packings and their influence on solid phase [2 + 2] photocycloaddition reaction with single crystal retention","CrystEngComm","2016","18","39","7506","","10.1039/C6CE01426G","","","0.71073","MoKα","","0.0733","0.0619","","","0.1524","0.1586","","","","","","1.038","","","","has coordinates","188068","2020-10-21","18:00:00",""
"7226323","11.8766","0.0003","12.7576","0.0004","15.3353","0.0004","105.477","0.001","97.106","0.001","105.185","0.001","2113.78","0.1","120","","120.15","","","","","","","","","6","P -1","-P 1","2","","","","- C22 H23 I N O3 Se -","- C22 H23 I N O3 Se -","- C88 H92 I4 N4 O12 Se4 -","4","2","","Kuz'mina, Lyudmila G.; Vedernikov, Artem I.; Howard, Judith A. K.; Bezzubov, Stanislav I.; Alfimov, Michael V.; Gromov, Sergey P.","Peculiarities of styryl dyes of the benzoselenazole series crystal packings and their influence on solid phase [2 + 2] photocycloaddition reaction with single crystal retention","CrystEngComm","2016","18","39","7506","","10.1039/C6CE01426G","","","0.71073","MoKα","","0.0331","0.0258","","","0.0594","0.0609","","","","","","1.019","","","","has coordinates,has disorder","188068","2020-10-21","18:00:00",""
"7226324","7.3704","0.0004","10.8423","0.0005","14.5069","0.0007","107.977","0.002","100.703","0.002","93.136","0.002","1075.69","0.09","120.15","","120.15","","","","","","","","","6","P -1","-P 1","2","","","","- C21 H24 I N O3.3 Se -","- C21 H24 I N O3.3 Se -","- C42 H48 I2 N2 O6.6 Se2 -","2","1","","Kuz'mina, Lyudmila G.; Vedernikov, Artem I.; Howard, Judith A. K.; Bezzubov, Stanislav I.; Alfimov, Michael V.; Gromov, Sergey P.","Peculiarities of styryl dyes of the benzoselenazole series crystal packings and their influence on solid phase [2 + 2] photocycloaddition reaction with single crystal retention","CrystEngComm","2016","18","39","7506","","10.1039/C6CE01426G","","","0.71073","MoKα","","0.0342","0.0234","","","0.0433","0.0461","","","","","","1.0319","","","","has coordinates,has disorder","188068","2020-10-21","18:00:00",""
"7226325","15.211","0.0003","14.7644","0.0003","21.0641","0.0004","90","","108.775","0.001","90","","4478.89","0.16","120","","120.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C19 H20 I3 N O2 Se -","- C19 H20 I3 N O2 Se -","- C152 H160 I24 N8 O16 Se8 -","8","2","","Kuz'mina, Lyudmila G.; Vedernikov, Artem I.; Howard, Judith A. K.; Bezzubov, Stanislav I.; Alfimov, Michael V.; Gromov, Sergey P.","Peculiarities of styryl dyes of the benzoselenazole series crystal packings and their influence on solid phase [2 + 2] photocycloaddition reaction with single crystal retention","CrystEngComm","2016","18","39","7506","","10.1039/C6CE01426G","","","0.71073","MoKα","","0.0537","0.0283","","","0.0487","0.0543","","","","","","0.8934","","","","has coordinates","193656","2020-10-21","18:00:00",""
"7226326","7.5216","0.0004","29.2202","0.0016","11.113","0.0006","90","","93.721","0.005","90","","2437.3","0.2","120.15","","120.15","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C26 H27 N O5 S Se -","- C26 H27 N O5 S Se -","- C104 H108 N4 O20 S4 Se4 -","4","1","","Kuz'mina, Lyudmila G.; Vedernikov, Artem I.; Howard, Judith A. K.; Bezzubov, Stanislav I.; Alfimov, Michael V.; Gromov, Sergey P.","Peculiarities of styryl dyes of the benzoselenazole series crystal packings and their influence on solid phase [2 + 2] photocycloaddition reaction with single crystal retention","CrystEngComm","2016","18","39","7506","","10.1039/C6CE01426G","","","0.71073","MoKα","","0.087","0.052","","","0.0958","0.1078","","","","","","1.034","","","","has coordinates,has disorder","188068","2020-10-21","18:00:00",""
"7226327","7.5964","0.0007","29.113","0.003","10.9942","0.0009","90","","96.454","0.004","90","","2416","0.4","120","2","123.15","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C26 H27 N O5 S Se -","- C26 H27 N O5 S Se -","- C104 H108 N4 O20 S4 Se4 -","4","1","","Kuz'mina, Lyudmila G.; Vedernikov, Artem I.; Howard, Judith A. K.; Bezzubov, Stanislav I.; Alfimov, Michael V.; Gromov, Sergey P.","Peculiarities of styryl dyes of the benzoselenazole series crystal packings and their influence on solid phase [2 + 2] photocycloaddition reaction with single crystal retention","CrystEngComm","2016","18","39","7506","","10.1039/C6CE01426G","","","0.71073","MoKα","","0.1764","0.0557","","","0.0661","0.0813","","","","","","0.724","","","","has coordinates,has disorder","188068","2020-10-21","18:00:00",""
"7226328","7.2675","0.0002","12.9365","0.0006","15.3429","0.0006","108.909","0.004","92.576","0.003","96.008","0.003","1352.36","0.1","153.15","","153.15","","","","","","","","","6","P -1","-P 1","2","","","","- C29 H32 N O7 S Se -","- C29 H32 N O7 S Se -","- C58 H64 N2 O14 S2 Se2 -","2","1","","Kuz'mina, Lyudmila G.; Vedernikov, Artem I.; Howard, Judith A. K.; Bezzubov, Stanislav I.; Alfimov, Michael V.; Gromov, Sergey P.","Peculiarities of styryl dyes of the benzoselenazole series crystal packings and their influence on solid phase [2 + 2] photocycloaddition reaction with single crystal retention","CrystEngComm","2016","18","39","7506","","10.1039/C6CE01426G","","","0.71073","MoKα","","0.0687","0.0535","","","0.1073","0.114","","","","","","1.097","","","","has coordinates,has disorder","188068","2020-10-21","18:00:00",""
"7226329","7.2613","0.0003","12.9355","0.0007","15.3053","0.0009","109.055","0.005","92.175","0.004","96.618","0.004","1345.4","0.13","120.15","","120.15","","","","","","","","","6","P -1","-P 1","2","","","","- C29 H32 N O7 S Se -","- C29 H32 N O7 S Se -","- C58 H64 N2 O14 S2 Se2 -","2","1","","Kuz'mina, Lyudmila G.; Vedernikov, Artem I.; Howard, Judith A. K.; Bezzubov, Stanislav I.; Alfimov, Michael V.; Gromov, Sergey P.","Peculiarities of styryl dyes of the benzoselenazole series crystal packings and their influence on solid phase [2 + 2] photocycloaddition reaction with single crystal retention","CrystEngComm","2016","18","39","7506","","10.1039/C6CE01426G","","","0.71073","MoKα","","0.0546","0.0416","","","0.0909","0.0961","","","","","","1.037","","","","has coordinates","188068","2020-10-21","18:00:00",""
"7226330","6.241","0.004","9.506","0.007","18.651","0.013","99.873","0.015","93.89","0.015","105.674","0.014","1042","1.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C17 H27 F6 N2 O3 P -","- C17 H27 F6 N2 O3 P -","- C34 H54 F12 N4 O6 P2 -","2","1","","Su, Padi Yi-Syong; Chang, Chia-Ju; Lee, Kwang-Ming","C‒H⋯O or N‒H⋯O hydrogen bonded biomimetic dimerized rectangular secondary structural motifs formed by L-shaped fatty acid-substituted nicotinamide salts with PF6−, BF4−, NO3−and Br−anions","CrystEngComm","2016","18","39","7516","","10.1039/C6CE01511E","","","0.71073","MoKα","","0.1085","0.0748","","","0.2235","0.2456","","","","","","1.086","","","","has coordinates","188071","2020-10-21","18:00:00",""
"7226331","5.3095","0.0018","7.917","0.003","23.201","0.008","84.701","0.007","83.488","0.007","80.058","0.008","951.8","0.6","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C17 H27 N3 O6 -","- C17 H27 N3 O6 -","- C34 H54 N6 O12 -","2","1","","Su, Padi Yi-Syong; Chang, Chia-Ju; Lee, Kwang-Ming","C‒H⋯O or N‒H⋯O hydrogen bonded biomimetic dimerized rectangular secondary structural motifs formed by L-shaped fatty acid-substituted nicotinamide salts with PF6−, BF4−, NO3−and Br−anions","CrystEngComm","2016","18","39","7516","","10.1039/C6CE01511E","","","0.71073","MoKα","","0.1806","0.0685","","","0.1474","0.2048","","","","","","0.971","","","","has coordinates","188071","2020-10-21","18:00:00",""
"7226332","4.6813","0.0003","8.4396","0.0005","23.3456","0.0015","80.193","0.002","88.216","0.002","80.574","0.002","896.59","0.1","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C17 H27 Br N2 O3 -","- C17 H27 Br N2 O3 -","- C34 H54 Br2 N4 O6 -","2","1","","Su, Padi Yi-Syong; Chang, Chia-Ju; Lee, Kwang-Ming","C‒H⋯O or N‒H⋯O hydrogen bonded biomimetic dimerized rectangular secondary structural motifs formed by L-shaped fatty acid-substituted nicotinamide salts with PF6−, BF4−, NO3−and Br−anions","CrystEngComm","2016","18","39","7516","","10.1039/C6CE01511E","","","0.71073","MoKα","","0.029","0.0248","","","0.0678","0.0844","","","","","","1.23","","","","has coordinates","188071","2020-10-21","18:00:00",""
"7226333","6.9325","0.0004","9.5052","0.0006","15.5569","0.001","100.851","0.003","90.364","0.002","104.223","0.002","974.44","0.11","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C17 H27 B F4 N2 O3 -","- C17 H27 B F4 N2 O3 -","- C34 H54 B2 F8 N4 O6 -","2","1","","Su, Padi Yi-Syong; Chang, Chia-Ju; Lee, Kwang-Ming","C‒H⋯O or N‒H⋯O hydrogen bonded biomimetic dimerized rectangular secondary structural motifs formed by L-shaped fatty acid-substituted nicotinamide salts with PF6−, BF4−, NO3−and Br−anions","CrystEngComm","2016","18","39","7516","","10.1039/C6CE01511E","","","0.71073","MoKα","","0.0465","0.0398","","","0.1109","0.1233","","","","","","1.081","","","","has coordinates","188071","2020-10-21","18:00:00",""
"7226334","7.0445","0.0002","17.1474","0.0005","10.9776","0.0004","90","","107.251","0.004","90","","1266.39","0.07","110","2","110","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","(Z)-3-(4-(dimethylamino)phenyl)-2-(pyridin-4-yl)acrylonitrile","","- C16 H15 N3 -","- C16 H15 N3 -","- C64 H60 N12 -","4","1","","Percino, M. Judith; Cerón, Margarita; Ceballos, Paulina; Soriano-Moro, Guillermo; Rodríguez, Oscar; Chapela, Víctor M.; Castro, M. Eugenia; Bonilla-Cruz, J.; Siegler, Maxime A.","Changes in the luminescence emission of α,β-unsaturated acrylonitrile derivatives: morphology, polymorphism and solvent effect","CrystEngComm","2016","18","39","7554","","10.1039/C6CE01391K","","","1.54178","CuKα","","0.0446","0.0393","","","0.0989","0.1034","","","","","","1.037","","","","has coordinates","188072","2020-10-21","18:00:00",""
"7226335","8.093","0.0005","13.179","0.0007","11.412","0.0006","90","","91.431","0.019","90","","1216.8","0.12","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2-(4-nitrophenoxy)-1-phenylethanone","","- C14 H11 N O4 -","- C14 H11 N O4 -","- C56 H44 N4 O16 -","4","1","","Vaz, Wesley F.; Custodio, Jean M. F.; Silveira, Rafael G.; Castro, Adailton N.; Campos, Carlos E. M.; Anjos, Murilo M.; Oliveira, Guilherme R.; Valverde, Clodoaldo; Baseia, Basílio; Napolitano, Hamilton B.","Synthesis, characterization, and third-order nonlinear optical properties of a new neolignane analogue","RSC Adv.","2016","6","82","79215","","10.1039/C6RA14961H","","","0.71073","MoKα","","0.0488","0.0397","","","0.1064","0.1127","","","","","","1.049","","","","has coordinates","185952","2020-10-21","18:00:00",""
"7226336","8.9957","0.0011","10.0831","0.0013","10.4133","0.0014","89.154","0.005","71.747","0.005","64.264","0.005","799.87","0.18","190","2","190","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H12 Cl2 N4 O2 -","- C16 H12 Cl2 N4 O2 -","- C32 H24 Cl4 N8 O4 -","2","1","","Hutchins, Kristin M.; Kummer, Katherine A.; Groeneman, Ryan H.; Reinheimer, Eric W.; Sinnwell, Michael A.; Swenson, Dale C.; MacGillivray, Leonard R.","Thermal expansion properties of three isostructural co-crystals composed of isosteric components: interplay between halogen and hydrogen bonds","CrystEngComm","2016","18","43","8354","","10.1039/C6CE01674J","","","0.71073","MoKα","","0.041","0.0312","","","0.0783","0.0842","","","","","","1.055","","","","has coordinates","188081","2020-10-21","18:00:00",""
"7226337","9.0188","0.0009","10.1722","0.001","10.4719","0.001","88.254","0.005","71.579","0.005","64.025","0.005","812.82","0.15","290","2","290","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H12 Cl2 N4 O2 -","- C16 H12 Cl2 N4 O2 -","- C32 H24 Cl4 N8 O4 -","2","1","","Hutchins, Kristin M.; Kummer, Katherine A.; Groeneman, Ryan H.; Reinheimer, Eric W.; Sinnwell, Michael A.; Swenson, Dale C.; MacGillivray, Leonard R.","Thermal expansion properties of three isostructural co-crystals composed of isosteric components: interplay between halogen and hydrogen bonds","CrystEngComm","2016","18","43","8354","","10.1039/C6CE01674J","","","0.71073","MoKα","","0.0948","0.0445","","","0.0977","0.1201","","","","","","1.026","","","","has coordinates","188081","2020-10-21","18:00:00",""
"7226338","9.0278","0.0009","10.2654","0.001","10.6009","0.0011","75.203","0.005","70.936","0.005","64.122","0.005","828.05","0.15","190","2","190","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H12 Br2 N4 O2 -","- C16 H12 Br2 N4 O2 -","- C32 H24 Br4 N8 O4 -","2","1","","Hutchins, Kristin M.; Kummer, Katherine A.; Groeneman, Ryan H.; Reinheimer, Eric W.; Sinnwell, Michael A.; Swenson, Dale C.; MacGillivray, Leonard R.","Thermal expansion properties of three isostructural co-crystals composed of isosteric components: interplay between halogen and hydrogen bonds","CrystEngComm","2016","18","43","8354","","10.1039/C6CE01674J","","","0.71073","MoKα","","0.0287","0.021","","","0.0493","0.0517","","","","","","1.049","","","","has coordinates","188081","2020-10-21","18:00:00",""
"7226339","9.0497","0.0009","10.3158","0.001","10.669","0.0011","76.068","0.005","70.779","0.005","64.511","0.005","843.19","0.15","290","2","290","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H12 Br2 N4 O2 -","- C16 H12 Br2 N4 O2 -","- C32 H24 Br4 N8 O4 -","2","1","","Hutchins, Kristin M.; Kummer, Katherine A.; Groeneman, Ryan H.; Reinheimer, Eric W.; Sinnwell, Michael A.; Swenson, Dale C.; MacGillivray, Leonard R.","Thermal expansion properties of three isostructural co-crystals composed of isosteric components: interplay between halogen and hydrogen bonds","CrystEngComm","2016","18","43","8354","","10.1039/C6CE01674J","","","0.71073","MoKα","","0.0353","0.0239","","","0.0558","0.0603","","","","","","1.02","","","","has coordinates","188081","2020-10-21","18:00:00",""
"7226340","9.2387","0.0009","10.497","0.001","10.8284","0.0011","88.215","0.005","69.551","0.005","64.302","0.005","877.57","0.16","190","2","190","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H12 I2 N4 O2 -","- C16 H12 I2 N4 O2 -","- C32 H24 I4 N8 O4 -","2","1","","Hutchins, Kristin M.; Kummer, Katherine A.; Groeneman, Ryan H.; Reinheimer, Eric W.; Sinnwell, Michael A.; Swenson, Dale C.; MacGillivray, Leonard R.","Thermal expansion properties of three isostructural co-crystals composed of isosteric components: interplay between halogen and hydrogen bonds","CrystEngComm","2016","18","43","8354","","10.1039/C6CE01674J","","","0.71073","MoKα","","0.0198","0.0175","","","0.0408","0.0421","","","","","","1.072","","","","has coordinates","205752","2020-10-21","18:00:00",""
"7226341","9.2547","0.0009","10.6163","0.0011","10.8929","0.0011","74.976","0.005","69.459","0.005","64.157","0.005","894.76","0.16","290","2","290","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H12 I2 N4 O2 -","- C16 H12 I2 N4 O2 -","- C32 H24 I4 N8 O4 -","2","1","","Hutchins, Kristin M.; Kummer, Katherine A.; Groeneman, Ryan H.; Reinheimer, Eric W.; Sinnwell, Michael A.; Swenson, Dale C.; MacGillivray, Leonard R.","Thermal expansion properties of three isostructural co-crystals composed of isosteric components: interplay between halogen and hydrogen bonds","CrystEngComm","2016","18","43","8354","","10.1039/C6CE01674J","","","0.71073","MoKα","","0.0288","0.0235","","","0.0509","0.054","","","","","","1.046","","","","has coordinates","188081","2020-10-21","18:00:00",""
"7226342","3.7762","0.0004","5.8688","0.0007","10.3157","0.0012","90.165","0.005","95.411","0.005","99.256","0.005","224.59","0.04","190","2","190","2","","","","","","","","3","P -1","-P 1","2","","","","- C10 H8 N4 -","- C10 H8 N4 -","- C10 H8 N4 -","1","0.5","","Hutchins, Kristin M.; Kummer, Katherine A.; Groeneman, Ryan H.; Reinheimer, Eric W.; Sinnwell, Michael A.; Swenson, Dale C.; MacGillivray, Leonard R.","Thermal expansion properties of three isostructural co-crystals composed of isosteric components: interplay between halogen and hydrogen bonds","CrystEngComm","2016","18","43","8354","","10.1039/C6CE01674J","","","0.71073","MoKα","","0.0477","0.0366","","","0.0897","0.1012","","","","","","1.059","","","","has coordinates","188081","2020-10-21","18:00:00",""
"7226343","3.8373","0.0006","5.9282","0.0007","10.3247","0.0014","90.671","0.007","95.227","0.008","100.693","0.008","229.73","0.06","298","2","298","2","","","","","","","","3","P -1","-P 1","2","","","","- C10 H8 N4 -","- C10 H8 N4 -","- C10 H8 N4 -","1","0.5","","Hutchins, Kristin M.; Kummer, Katherine A.; Groeneman, Ryan H.; Reinheimer, Eric W.; Sinnwell, Michael A.; Swenson, Dale C.; MacGillivray, Leonard R.","Thermal expansion properties of three isostructural co-crystals composed of isosteric components: interplay between halogen and hydrogen bonds","CrystEngComm","2016","18","43","8354","","10.1039/C6CE01674J","","","0.71073","MoKα","","0.0953","0.0582","","","0.1378","0.1709","","","","","","1.073","","","","has coordinates","188081","2020-10-21","18:00:00",""
"7226344","6.9694","0.0014","8.0346","0.0016","15.19","0.003","84.71","0.03","77.42","0.03","87.21","0.03","826.3","0.3","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","","","- C20 H15 N3 O3 -","- C20 H15 N3 O3 -","- C40 H30 N6 O6 -","2","1","","Zali Boeini, Hassan; Norastehfar, Niloofar; Amiri Rudbari, Hadi","One-step Synthesis of Imidazo[1,2-a]pyridines in Water","RSC Adv.","2016","","","","","10.1039/C6RA17065J","","","0.71069","MoKα","","0.056","0.0331","","","0.0719","0.076","","","","","","0.837","","","","has coordinates","185975","2020-10-21","18:00:00",""
"7226345","10.393","0.002","14.018","0.003","14.24","0.003","117.59","0.03","93.18","0.03","98.27","0.03","1801.9","0.9","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C74 H66 Mg3 N12 O28 -","- C74 H66 Mg3 N12 O28 -","- C74 H66 Mg3 N12 O28 -","1","0.5","","Capon, Patrick K.; Burgun, Alexandre; Coghlan, Campbell J.; Crees, Rachel S.; Doonan, Christian J.; Sumby, Christopher J.","Hydrogen adsorption in azolium and metalated N-heterocyclic carbene containing MOFs","CrystEngComm","2016","18","37","7003","","10.1039/C6CE01549B","","","0.7108","Synchrotron","","0.065","0.0532","","","0.1332","0.1422","","","","","","1.055","","","","has coordinates","187050","2020-10-21","18:00:00",""
"7226346","20.7373","0.0016","17.9433","0.0014","10.9131","0.0008","90","","91.475","0.007","90","","4059.4","0.5","150","2","150","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- C40.25 H35.15 Br0.1 Cu2.1 N6.65 O14.45 -","- C38 H29.9 Br0.1 Cu2.1 N5.9 O13.7 -","- C152 H119.6 Br0.4 Cu8.4 N23.6 O54.8 -","4","0.5","","Capon, Patrick K.; Burgun, Alexandre; Coghlan, Campbell J.; Crees, Rachel S.; Doonan, Christian J.; Sumby, Christopher J.","Hydrogen adsorption in azolium and metalated N-heterocyclic carbene containing MOFs","CrystEngComm","2016","18","37","7003","","10.1039/C6CE01549B","","","0.71073","MoKα","","0.0788","0.0583","","","0.1579","0.1685","","","","","","1.074","","","","has coordinates,has disorder","187050","2020-10-21","18:00:00",""
"7226347","11.014","0.002","13.053","0.003","14.145","0.003","63.88","0.03","79.87","0.03","89.57","0.03","1791.8","0.8","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C72.5 H60.5 Mn3 N11.5 O26.5 -","- C68 H50 Mn3 N8 O19 -","- C68 H50 Mn3 N8 O19 -","1","0.5","","Capon, Patrick K.; Burgun, Alexandre; Coghlan, Campbell J.; Crees, Rachel S.; Doonan, Christian J.; Sumby, Christopher J.","Hydrogen adsorption in azolium and metalated N-heterocyclic carbene containing MOFs","CrystEngComm","2016","18","37","7003","","10.1039/C6CE01549B","","","0.7108","Synchrotron","","0.1094","0.0788","","","0.2133","0.233","","","","","","1.06","","","","has coordinates","187050","2020-10-21","18:00:00",""
"7226348","20.889","0.004","18.004","0.004","10.913","0.002","90","","91.36","0.03","90","","4103.1","1.4","100","2","100","2","","","","","","","","7","C 1 2/m 1","-C 2y","12","","","","- C72.25 H50.25 Br1.2 Cu1.2 N10.55 O26.15 Zn4 -","- C70 H45 Br1.2 Cu1.2 N9.8 O25.4 Zn4 -","- C140 H90 Br2.4 Cu2.4 N19.6 O50.8 Zn8 -","2","0.25","","Capon, Patrick K.; Burgun, Alexandre; Coghlan, Campbell J.; Crees, Rachel S.; Doonan, Christian J.; Sumby, Christopher J.","Hydrogen adsorption in azolium and metalated N-heterocyclic carbene containing MOFs","CrystEngComm","2016","18","37","7003","","10.1039/C6CE01549B","","","0.7108","Synchrotron","","0.0771","0.076","","","0.2121","0.2127","","","","","","1.055","","","","has coordinates,has disorder","187050","2020-10-21","18:00:00",""
"7226349","23.128","0.005","14.043","0.003","23.412","0.005","90","","95.37","0.03","90","","7571","3","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C75.5 H69.5 Co3 N12.5 O28.5 -","- C68 H52 Co3 N10 O26 -","- C272 H208 Co12 N40 O104 -","4","0.5","","Capon, Patrick K.; Burgun, Alexandre; Coghlan, Campbell J.; Crees, Rachel S.; Doonan, Christian J.; Sumby, Christopher J.","Hydrogen adsorption in azolium and metalated N-heterocyclic carbene containing MOFs","CrystEngComm","2016","18","37","7003","","10.1039/C6CE01549B","","","0.7108","Synchrotron","","0.0483","0.0453","","","0.1181","0.1199","","","","","","1.048","","","","has coordinates","187050","2020-10-21","18:00:00",""
"7226350","10.193","0.0007","5.9188","0.0004","4.6959","0.0003","90","","90","","90","","283.31","0.03","298","","298","","","","","","","","","4","P n m a","-P 2ac 2n","62","lithium cobalt phosphate","lithium cobalt phosphate","","- Co Li O4 P -","- Co Li O4 P -","- Co4 Li4 O16 P4 -","4","0.5","","Ludwig, Jennifer; Marino, Cyril; Haering, Dominik; Stinner, Christoph; Nordlund, Dennis; Doeff, Marca; Gasteiger, Hubert A.; Nilges, Tom","Facile, ethylene glycol-promoted microwave-assisted solvothermal synthesis of high-performance LiCoPO4as a high-voltage cathode material for lithium-ion batteries","RSC Adv.","2016","","","","","10.1039/C6RA19767A","powder diffraction","x-ray","0.7093","MoKα1","","0.0412","0.0409","","0.038","0.038","","","","1.35","","","","","","","has coordinates","185991","2020-10-21","18:00:00",""
"7226351","10.1931","0.0008","5.9195","0.0005","4.6961","0.0004","90","","90","","90","","283.35","0.04","298","","298","","","","","","","","","4","P n m a","-P 2ac 2n","62","lithium cobalt phosphate","lithium cobalt phosphate","","- Co Li O4 P -","- Co Li O4 P -","- Co4 Li4 O16 P4 -","4","0.5","","Ludwig, Jennifer; Marino, Cyril; Haering, Dominik; Stinner, Christoph; Nordlund, Dennis; Doeff, Marca; Gasteiger, Hubert A.; Nilges, Tom","Facile, ethylene glycol-promoted microwave-assisted solvothermal synthesis of high-performance LiCoPO4as a high-voltage cathode material for lithium-ion batteries","RSC Adv.","2016","","","","","10.1039/C6RA19767A","powder diffraction","x-ray","0.7093","MoKα1","","0.0332","0.0331","","0.0358","0.0358","","","","1.54","","","","","","","has coordinates","185991","2020-10-21","18:00:00",""
"7226352","10.1852","0.0009","5.9114","0.0005","4.6913","0.0004","90","","90","","90","","282.46","0.04","298","","298","","","","","","","","","4","P n m a","-P 2ac 2n","62","lithium cobalt phosphate","lithium cobalt phosphate","","- Co Li O4 P -","- Co Li O4 P -","- Co4 Li4 O16 P4 -","4","0.5","","Ludwig, Jennifer; Marino, Cyril; Haering, Dominik; Stinner, Christoph; Nordlund, Dennis; Doeff, Marca; Gasteiger, Hubert A.; Nilges, Tom","Facile, ethylene glycol-promoted microwave-assisted solvothermal synthesis of high-performance LiCoPO4as a high-voltage cathode material for lithium-ion batteries","RSC Adv.","2016","","","","","10.1039/C6RA19767A","powder diffraction","x-ray","0.7093","MoKα1","","0.0345","0.0344","","0.0362","0.0362","","","","1.81","","","","","","","has coordinates","185991","2020-10-21","18:00:00",""
"7226353","12.0422","0.0002","6.75793","0.00012","15.1547","0.0003","90","","103.445","0.0019","90","","1199.49","0.04","99.5","","99.5","","","","","","","","Lecanicillium sp.","3","P 1 21 1","P 2yb","4","","Lecanicillone A","","- C28 H32 O6 -","- C28 H32 O6 -","- C56 H64 O12 -","2","1","","Wang, Zai-ying; Sang, Xia-Nan; Sun, Ke; Huang, Sheng-dong; Chen, Sheng-shuang; Xue, Chunmei; Ban, Lanfeng; Li, Zhanlin; Hua, Huiming; Pei, Yuehu; Bai, Jiao","Lecanicillones A‒C, Three Dimeric Isomers of Spiciferone A with Cyclobutane Ring from an Entomopathogenic Fungus Lecanicillium sp. PR-M-3","RSC Adv.","2016","","","","","10.1039/C6RA11422A","","","1.5418","CuKα","","0.0345","0.0339","","","0.0889","0.0896","","","","","","1.034","","","","has coordinates","185993","2020-10-21","18:00:00",""
"7226354","5.6204","0.0005","25.209","0.003","6.9669","0.0006","90","","93.885","0.008","90","","984.83","0.17","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","3,5-Dimethyl-3-(4-methylpent-3-en-1-yl)pyrano[3,2-a] carbazole-11(3H)-carbaldehyde","","- C24 H25 N O2 -","- C24 H25 N O2 -","- C48 H50 N2 O4 -","2","1","","yedukondalu, nalli; Gupta, Gaurav; Nadkarni, Janhavi R.; Gupta, Vivek; Syed, Sajad Hussain; Ali, Asif","Divergent Synthesis of prenylated carbazole alkaloids (+)-S-Mahanimbine led to the discovery of Notch activator","RSC Adv.","2016","","","","","10.1039/C6RA16531A","","","0.71073","MoKα","","0.1042","0.0531","","","0.0891","0.1069","","","","","","0.934","","","","has coordinates","185994","2020-10-21","18:00:00",""
"7226355","8.4284","0.0006","18.5039","0.0014","23.3119","0.0016","90","","93.851","0.005","90","","3627.5","0.5","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","MK-POCL3-R","5,7-dimethyl-2-(propan-2-ylidene)-1,2,3,4,5,13-hexahydro-1,5- methanooxocino[3,2-a]carbazole","","- C23 H25 N O -","- C23 H25 N O -","- C184 H200 N8 O8 -","8","2","","yedukondalu, nalli; Gupta, Gaurav; Nadkarni, Janhavi R.; Gupta, Vivek; Syed, Sajad Hussain; Ali, Asif","Divergent Synthesis of prenylated carbazole alkaloids (+)-S-Mahanimbine led to the discovery of Notch activator","RSC Adv.","2016","","","","","10.1039/C6RA16531A","","","0.71073","MoKα","","0.176","0.0791","","","0.1726","0.2269","","","","","","0.989","","","","has coordinates","193656","2020-10-21","18:00:00",""
"7226356","14.174","0.004","18.194","0.005","26.052","0.006","90","","90","","90","","6718","3","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C73 H67 Na3 O26 -","- C73 H67 Na3 O26 -","- C292 H268 Na12 O104 -","4","1","","Martins, Felipe Terra; da Silva, Cleiton Moreira; Vasconcelos, Géssica Adriana; Gontijo Vaz, Boniek; Vieira, Tarcisio da Silva; Queiroz Júnior, Luiz Henrique Keng; de Fátima, Ângelo","Lower rim dimerization of a calixarene through the encapsulation of sodium ions","CrystEngComm","2016","18","37","6987","","10.1039/C6CE01387B","","","0.71073","MoKα","","0.1782","0.0677","","","0.1638","0.211","","","","","","0.982","","","","has coordinates","187046","2020-10-21","18:00:00",""
"7226357","14.84","0.002","17.911","0.003","31.01","0.005","79.663","0.011","86.268","0.011","82.469","0.012","8031","2","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C72 H61.5 Na3 O24.25 -","- C72 H61.5 Na3 O24.25 -","- C288 H246 Na12 O97 -","4","2","","Martins, Felipe Terra; da Silva, Cleiton Moreira; Vasconcelos, Géssica Adriana; Gontijo Vaz, Boniek; Vieira, Tarcisio da Silva; Queiroz Júnior, Luiz Henrique Keng; de Fátima, Ângelo","Lower rim dimerization of a calixarene through the encapsulation of sodium ions","CrystEngComm","2016","18","37","6987","","10.1039/C6CE01387B","","","0.71073","MoKα","","0.3084","0.1435","","","0.3559","0.405","","","","","","0.878","","","","has coordinates","287753","2023-11-23","09:34:45",""
"7226358","21.041","0.004","21.041","0.004","16.456","0.003","90","","90","","90","","7285","2","296","2","296","2","","","","","","","","5","P 42 b c","P 4c -2ab","106","","","","- C76 H72 Na4 O26 S2 -","- C76 H72 Na4 O26 S2 -","- C304 H288 Na16 O104 S8 -","4","0.5","","Martins, Felipe Terra; da Silva, Cleiton Moreira; Vasconcelos, Géssica Adriana; Gontijo Vaz, Boniek; Vieira, Tarcisio da Silva; Queiroz Júnior, Luiz Henrique Keng; de Fátima, Ângelo","Lower rim dimerization of a calixarene through the encapsulation of sodium ions","CrystEngComm","2016","18","37","6987","","10.1039/C6CE01387B","","","0.71073","MoKα","","0.1946","0.0689","","","0.1234","0.1666","","","","","","0.973","","","","has coordinates","187046","2020-10-21","18:00:00",""
"7226359","21.0771","0.0007","21.0771","0.0007","16.6303","0.0005","90","","90","","90","","7387.9","0.4","296","2","296","2","","","","","","","","5","P 42 b c","P 4c -2ab","106","","","","- C78 H74 N2 Na4 O26 -","- C78 H74 N2 Na4 O26 -","- C312 H296 N8 Na16 O104 -","4","0.5","","Martins, Felipe Terra; da Silva, Cleiton Moreira; Vasconcelos, Géssica Adriana; Gontijo Vaz, Boniek; Vieira, Tarcisio da Silva; Queiroz Júnior, Luiz Henrique Keng; de Fátima, Ângelo","Lower rim dimerization of a calixarene through the encapsulation of sodium ions","CrystEngComm","2016","18","37","6987","","10.1039/C6CE01387B","","","0.71073","MoKα","","0.1725","0.0662","","","0.1548","0.2141","","","","","","1.005","","","","has coordinates","187046","2020-10-21","18:00:00",""
"7226360","23.156","0.003","23.156","0.003","13.081","0.0016","90","","90","","90","","7014","1.5","296","2","296","2","","","","","","","","5","P 41 21 2","P 4abw 2nw","92","","","","- C62 H64 Cl N30 O25 -","- C62 H64 Cl N30 O27 -","- C248 H256 Cl4 N120 O108 -","4","0.5","","Li, Jie; Zhao, Yanxia; Dong, Yunhong; Yu, Yang; Cao, Liping; Wu, Biao","Supramolecular organic frameworks of cucurbit[n]uril-based [2]pseudorotaxanes in the crystalline state","CrystEngComm","2016","18","41","7929","","10.1039/C6CE01320A","","","0.71073","MoKα","","0.1112","0.0985","","","0.2363","0.2457","","","","","","1.106","","","","has coordinates,has disorder","188080","2020-10-21","18:00:00",""
"7226361","28.597","0.002","27.378","0.002","19.9414","0.0015","90","","124.639","0.001","90","","12845.3","1.6","296","2","296","2","","","","","","","","4","C 1 2/m 1","-C 2y","12","","","","- C99.5 H112.5 N56 O41 -","- C100 H115 N56 O41 -","- C400 H460 N224 O164 -","4","0.5","","Li, Jie; Zhao, Yanxia; Dong, Yunhong; Yu, Yang; Cao, Liping; Wu, Biao","Supramolecular organic frameworks of cucurbit[n]uril-based [2]pseudorotaxanes in the crystalline state","CrystEngComm","2016","18","41","7929","","10.1039/C6CE01320A","","","0.71073","MoKα","","0.1041","0.0801","","","0.2379","0.2553","","","","","","1.111","","","","has coordinates,has disorder","188080","2020-10-21","18:00:00",""
"7226362","24.382","0.002","23.126","0.002","27.053","0.003","90","","109.521","0.001","90","","14377","2","153","2","153","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C126 H142 Br6 N40 O28 -","- C126 H142 Br6 N40 O28 -","- C504 H568 Br24 N160 O112 -","4","1","","Li, Jie; Zhao, Yanxia; Dong, Yunhong; Yu, Yang; Cao, Liping; Wu, Biao","Supramolecular organic frameworks of cucurbit[n]uril-based [2]pseudorotaxanes in the crystalline state","CrystEngComm","2016","18","41","7929","","10.1039/C6CE01320A","","","0.71073","MoKα","","0.1245","0.0779","","","0.2163","0.2408","","","","","","1.059","","","","has coordinates,has disorder","188080","2020-10-21","18:00:00",""
"7226363","12.773","0.002","13.042","0.002","13.81","0.002","76.503","0.003","78.2","0.003","83.064","0.003","2183.3","0.6","173","2","173","2","","","","","","","synthesis as described","6","P -1","-P 1","2","","","","- C36 H50 Cu4 I4 N S3 -","- C36 H50 Cu4 I4 N S3 -","- C72 H100 Cu8 I8 N2 S6 -","2","1","","Bonnot, Antoine; Karsenti, Paul-Ludovic; Juvenal, Frank; Golz, Christopher; Strohmann, Carsten; Fortin, Daniel; Knorr, Michael; Harvey, Pierre D.","The 3D [(Cu2Br2){μ-EtS(CH2)4SEt}]n material: a rare example of a coordination polymer exhibiting triplet-triplet annihilation.","Physical chemistry chemical physics : PCCP","2016","18","36","24845","24849","10.1039/c6cp04728a","","x-ray","0.71073","MoKα","","0.0233","0.0187","","","0.0407","0.0417","","","","","","1.083","","","","has coordinates","187202","2020-10-21","18:00:00",""
"7226364","11.9745","0.0005","20.6966","0.0008","26.9669","0.0011","90","","98.373","0.003","90","","6612","0.5","173","2","173","2","","","","","","","synthesis as described","6","P 1 21/n 1","-P 2yn","14","","","","- C59 H89 Cu4 I4 N S4 -","- C59 H89 Cu4 I4 N S4 -","- C236 H356 Cu16 I16 N4 S16 -","4","1","","Bonnot, Antoine; Karsenti, Paul-Ludovic; Juvenal, Frank; Golz, Christopher; Strohmann, Carsten; Fortin, Daniel; Knorr, Michael; Harvey, Pierre D.","The 3D [(Cu2Br2){μ-EtS(CH2)4SEt}]n material: a rare example of a coordination polymer exhibiting triplet-triplet annihilation.","Physical chemistry chemical physics : PCCP","2016","18","36","24845","24849","10.1039/c6cp04728a","","x-ray","1.54186","CuKα","","0.1771","0.1052","","","0.2583","0.302","","","","","","0.981","","","","has coordinates","187202","2020-10-21","18:00:00",""
"7226365","6.39","0.015","10.62","0.03","14.67","0.03","90","","90","","90","","996","4","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C6 H15 O5 P -","- C6 H15 O5 P -","- C24 H60 O20 P4 -","4","1","","Khasiyatullina, Nadezhda; Mironov, Vladimir Fedorovich; Krivolapov, Dmitry; Mironova, Ekaterina V.; Gnezdilov, Oleg I.","Synthesis, Crystal Structure and Hydrolysis of Novel Isomeric Cage (P‒C/P‒O)-Phosphoranes on the basis of 4,4,5,5-Tetramethyl-2-(2-oxo-1,2-diphenylethoxy)-1,3,2-dioxaphospholane and Hexafluoroacetone","RSC Adv.","2016","","","","","10.1039/C6RA17983E","","","0.71073","MoKα","","0.0907","0.0499","","","0.1437","0.1841","","","","","","0.698","","","","has coordinates","186013","2020-10-21","18:00:00",""
"7226366","10.788","0.013","10.889","0.013","12.329","0.015","70.63","0.02","71.74","0.02","67.883","0.019","1236","3","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C23 H25 F6 O6 P -","- C23 H25 F6 O6 P -","- C46 H50 F12 O12 P2 -","2","1","","Khasiyatullina, Nadezhda; Mironov, Vladimir Fedorovich; Krivolapov, Dmitry; Mironova, Ekaterina V.; Gnezdilov, Oleg I.","Synthesis, Crystal Structure and Hydrolysis of Novel Isomeric Cage (P‒C/P‒O)-Phosphoranes on the basis of 4,4,5,5-Tetramethyl-2-(2-oxo-1,2-diphenylethoxy)-1,3,2-dioxaphospholane and Hexafluoroacetone","RSC Adv.","2016","","","","","10.1039/C6RA17983E","","","0.71073","MoKα","","0.1946","0.088","","","0.2734","0.3522","","","","","","1.047","","","","has coordinates","186013","2020-10-21","18:00:00",""
"7226367","9.485","0.006","11.002","0.007","12.115","0.008","90","","101.517","0.008","90","","1238.8","1.4","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C23 H23 F6 O5 P -","- C23 H23 F6 O5 P -","- C46 H46 F12 O10 P2 -","2","1","","Khasiyatullina, Nadezhda; Mironov, Vladimir Fedorovich; Krivolapov, Dmitry; Mironova, Ekaterina V.; Gnezdilov, Oleg I.","Synthesis, Crystal Structure and Hydrolysis of Novel Isomeric Cage (P‒C/P‒O)-Phosphoranes on the basis of 4,4,5,5-Tetramethyl-2-(2-oxo-1,2-diphenylethoxy)-1,3,2-dioxaphospholane and Hexafluoroacetone","RSC Adv.","2016","","","","","10.1039/C6RA17983E","","","0.71073","MoKα","","0.11","0.0667","","","0.1629","0.2021","","","","","","1","","","","has coordinates","186013","2020-10-21","18:00:00",""
"7226368","12.65","0.005","16.695","0.006","22.988","0.009","90","","90","","90","","4855","3","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C23 H23 F6 O5 P -","- C23 H23 F6 O5 P -","- C184 H184 F48 O40 P8 -","8","1","","Khasiyatullina, Nadezhda; Mironov, Vladimir Fedorovich; Krivolapov, Dmitry; Mironova, Ekaterina V.; Gnezdilov, Oleg I.","Synthesis, Crystal Structure and Hydrolysis of Novel Isomeric Cage (P‒C/P‒O)-Phosphoranes on the basis of 4,4,5,5-Tetramethyl-2-(2-oxo-1,2-diphenylethoxy)-1,3,2-dioxaphospholane and Hexafluoroacetone","RSC Adv.","2016","","","","","10.1039/C6RA17983E","","","0.71073","MoKα","","0.0985","0.052","","","0.1426","0.1825","","","","","","1.094","","","","has coordinates","186013","2020-10-21","18:00:00",""
"7226369","18.721","0.008","13.944","0.006","8.706","0.004","90","","95.489","0.008","90","","2262.2","1.7","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H22 F6 O7 P -","- C20 H22 F6 O7 P -","- C80 H88 F24 O28 P4 -","4","1","","Khasiyatullina, Nadezhda; Mironov, Vladimir Fedorovich; Krivolapov, Dmitry; Mironova, Ekaterina V.; Gnezdilov, Oleg I.","Synthesis, Crystal Structure and Hydrolysis of Novel Isomeric Cage (P‒C/P‒O)-Phosphoranes on the basis of 4,4,5,5-Tetramethyl-2-(2-oxo-1,2-diphenylethoxy)-1,3,2-dioxaphospholane and Hexafluoroacetone","RSC Adv.","2016","","","","","10.1039/C6RA17983E","","x-ray","0.71073","MoKα","","0.2229","0.0773","","","0.1632","0.2372","","","","","","0.899","","","","has coordinates","186013","2020-10-21","18:00:00",""
"7226370","15.489","0.006","6.174","0.002","16.745","0.007","90","","115.294","0.007","90","","1447.8","1","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C10 H12 N O11 Pr -","- C10 H12 N O11 Pr -","- C40 H48 N4 O44 Pr4 -","4","1","","Gao, Enjun; Sun, Na; Zhan, Yang; Qiu, Xue; Ding, Yuqing; Zhang, Shaozhong; Zhu, Mingchang","Spiral frameworks firstly constructed by 1,2-phenylene-dioxydiacetic acid as highly sensitive and selective luminescent probes to detect PO43- ions in aqueous solutions","RSC Adv.","2016","","","","","10.1039/C6RA13361D","","","0.71073","MoKα","","0.0537","0.0455","","","0.1119","0.1163","","","","","","1.089","","","","has coordinates","186014","2020-10-21","18:00:00",""
"7226371","15.489","0.006","6.174","0.002","16.745","0.007","90","","115.294","0.007","90","","1447.8","1","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C10 H12 La N O11 -","- C10 H12 La N O11 -","- C40 H48 La4 N4 O44 -","4","1","","Gao, Enjun; Sun, Na; Zhan, Yang; Qiu, Xue; Ding, Yuqing; Zhang, Shaozhong; Zhu, Mingchang","Spiral frameworks firstly constructed by 1,2-phenylene-dioxydiacetic acid as highly sensitive and selective luminescent probes to detect PO43- ions in aqueous solutions","RSC Adv.","2016","","","","","10.1039/C6RA13361D","","","0.71073","MoKα","","0.0163","0.0154","","","0.0366","0.0371","","","","","","1.08","","","","has coordinates","186014","2020-10-21","18:00:00",""
"7226372","15.486","0.0007","6.1777","0.0003","16.8851","0.0008","90","","115.477","0.001","90","","1458.28","0.12","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C10 H12 Ce N O11 -","- C10 H12 Ce N O11 -","- C40 H48 Ce4 N4 O44 -","4","1","","Gao, Enjun; Sun, Na; Zhan, Yang; Qiu, Xue; Ding, Yuqing; Zhang, Shaozhong; Zhu, Mingchang","Spiral frameworks firstly constructed by 1,2-phenylene-dioxydiacetic acid as highly sensitive and selective luminescent probes to detect PO43- ions in aqueous solutions","RSC Adv.","2016","","","","","10.1039/C6RA13361D","","","0.71073","MoKα","","0.0211","0.0165","","","0.0469","0.0717","","","","","","1.303","","","","has coordinates","186014","2020-10-21","18:00:00",""
"7226373","16.677","0.003","9.16","0.0018","15.041","0.003","90","","90","","90","","2297.7","0.8","293","2","293","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C20 H16 Dy N7 O9 -","- C20 H16 Dy N7 O9 -","- C80 H64 Dy4 N28 O36 -","4","0.5","","Xiao, Peng; Wang, Ping; Fan, Ruiqing; Du, Xi; Chen, Wei; Zhang, Huijie; Song, Yang; Yang, Yulin","Lanthanide MOFs Constructed Based on a Difunctional Ligand with Bimodal Emission and Eu3+ doped Dy3+ Materials: White Emission and Color Tuning.","RSC Adv.","2016","","","","","10.1039/C6RA14896D","","","0.71073","MoKα","","0.0305","0.0243","","","0.0578","0.0614","","","","","","1.086","","","","has coordinates","186015","2020-10-21","18:00:00",""
"7226374","8.41","0.0017","8.861","0.0018","12.488","0.003","105.92","0.03","108.02","0.03","99.01","0.03","820.8","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H20 Dy2 N10 O18 -","- C20 H20 Dy2 N10 O18 -","- C20 H20 Dy2 N10 O18 -","1","0.5","","Xiao, Peng; Wang, Ping; Fan, Ruiqing; Du, Xi; Chen, Wei; Zhang, Huijie; Song, Yang; Yang, Yulin","Lanthanide MOFs Constructed Based on a Difunctional Ligand with Bimodal Emission and Eu3+ doped Dy3+ Materials: White Emission and Color Tuning.","RSC Adv.","2016","","","","","10.1039/C6RA14896D","","","0.71073","MoKα","","0.0312","0.0294","","","0.0786","0.0816","","","","","","1.074","","","","has coordinates","186015","2020-10-21","18:00:00",""
"7226375","13.6605","0.001","15.0103","0.0011","18.5345","0.0014","69.051","0.002","71.145","0.002","65.014","0.002","3149.9","0.4","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C108 H128 Dy4 N24 O41 -","- C108 H128 Dy4 N24 O41 -","- C108 H128 Dy4 N24 O41 -","1","0.5","","Xiao, Peng; Wang, Ping; Fan, Ruiqing; Du, Xi; Chen, Wei; Zhang, Huijie; Song, Yang; Yang, Yulin","Lanthanide MOFs Constructed Based on a Difunctional Ligand with Bimodal Emission and Eu3+ doped Dy3+ Materials: White Emission and Color Tuning.","RSC Adv.","2016","","","","","10.1039/C6RA14896D","","","0.71073","MoKα","","0.0829","0.0545","","","0.1536","0.1789","","","","","","1.021","","","","has coordinates","186015","2020-10-21","18:00:00",""
"7226376","11.6062","0.0006","18.6702","0.0006","7.555","0.0003","90","","107.089","0.005","90","","1564.81","0.12","293","2","293","2","","","","","","","NA","5","P 1 21/c 1","-P 2ybc","14","thieno[3,2-c]pyridine","Methyl 3,5-diamino-6-(2-methoxyphenyl)-4-oxo-4,5-dihydrothieno[3,2-c]pyridine-2-carboxylate","","- C16 H15 N3 O4 S -","- C16 H15 N3 O4 S -","- C64 H60 N12 O16 S4 -","4","1","","Pratap, Ramendra; Sahu, Satya Narayan; Singh, Surjeet; Shaw, Ranjay; Shally, Shally; Ram, Vishnu Ji","One-pot and step-wise synthesis of thieno[3,2-c]pyridin-4-ones","RSC Adv.","2016","","","","","10.1039/C6RA17315B","","","0.71073","MoKα","","0.0592","0.0467","","","0.1195","0.1267","","","","","","1.029","","","","has coordinates","186016","2020-10-21","18:00:00",""
"7226377","11.52","0.003","21.866","0.006","7.63","0.002","90","","100.443","0.009","90","","1890.1","0.9","298","2","297.78","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1?,3?,3? -Trimethyl-6-acryloylspiro(2H-1-benzopyran-2,2-indoline","","- C22 H21 N O3 -","- C22 H21 N O3 -","- C88 H84 N4 O12 -","4","1","","Dunne, Aishling Catherine; Delaney, Colm; Florea, Larisa; Diamond, Dermot","Solvato-Morphologically Controlled, Reversible NIPAAm Hydrogel Photoactuators","RSC Adv.","2016","","","","","10.1039/C6RA16807H","","x-ray","0.71073","MoKα","","0.1055","0.0629","","","0.1492","0.1736","","","","","","1.029","","","","has coordinates","186017","2020-10-21","18:00:00",""
"7226378","33.96","0.007","10.34","0.002","18.59","0.004","90","","98.22","0.03","90","","6461","2","110","2","110","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C30 H36 Fe I2 N2 O3 -","- C30 H36 Fe I2 N2 O3 -","- C240 H288 Fe8 I16 N16 O24 -","8","2","","Jiang, Shuang; Zhang, Tianyong; Zhang, Xia; Zhang, Guanghui; Hai, Li; Li, Bin","Synthesis, Structural Characterization, and Chemical Properties of Pentacoordinate Model Complexes for the Active Site of [Fe]-Hydrogenase","RSC Adv.","2016","","","","","10.1039/C6RA18628A","","","0.71073","MoKα","","0.0763","0.0537","","","0.1011","0.1088","","","","","","1.054","","","","has coordinates","186060","2020-10-21","18:00:00",""
"7226379","18.49","0.004","10.356","0.002","33.072","0.007","90","","90","","90","","6333","2","113","2","113","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C30 H38 Fe I2 N2 O3 -","- C30 H38 Fe I2 N2 O3 -","- C240 H304 Fe8 I16 N16 O24 -","8","2","","Jiang, Shuang; Zhang, Tianyong; Zhang, Xia; Zhang, Guanghui; Hai, Li; Li, Bin","Synthesis, Structural Characterization, and Chemical Properties of Pentacoordinate Model Complexes for the Active Site of [Fe]-Hydrogenase","RSC Adv.","2016","","","","","10.1039/C6RA18628A","","","0.71073","MoKα","","0.0915","0.0629","","","0.1279","0.1463","","","","","","1.092","","","","has coordinates","186060","2020-10-21","18:00:00",""
"7226380","10.308","0.002","19.262","0.004","13.34","0.003","90","","93.79","0.03","90","","2642.9","1","113","2","113","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C29 H31 Fe N3 O2 S -","- C29 H31 Fe N3 O2 S -","- C116 H124 Fe4 N12 O8 S4 -","4","1","","Jiang, Shuang; Zhang, Tianyong; Zhang, Xia; Zhang, Guanghui; Hai, Li; Li, Bin","Synthesis, Structural Characterization, and Chemical Properties of Pentacoordinate Model Complexes for the Active Site of [Fe]-Hydrogenase","RSC Adv.","2016","","","","","10.1039/C6RA18628A","","","0.71073","MoKα","","0.0655","0.0462","","","0.0921","0.1002","","","","","","1.021","","","","has coordinates","186060","2020-10-21","18:00:00",""
"7226381","11.478","0.002","14.306","0.003","20.809","0.004","82.76","0.03","80.15","0.03","76.45","0.03","3259.7","1.2","113","2","113","2","","","","","","","","6","P -1","-P 1","2","","","","- C35 H41 Fe N3 O2 S -","- C35 H41 Fe N3 O2 S -","- C140 H164 Fe4 N12 O8 S4 -","4","2","","Jiang, Shuang; Zhang, Tianyong; Zhang, Xia; Zhang, Guanghui; Hai, Li; Li, Bin","Synthesis, Structural Characterization, and Chemical Properties of Pentacoordinate Model Complexes for the Active Site of [Fe]-Hydrogenase","RSC Adv.","2016","","","","","10.1039/C6RA18628A","","","0.71073","MoKα","","0.1225","0.0935","","","0.243","0.2592","","","","","","1.033","","","","has coordinates","186060","2020-10-21","18:00:00",""
"7226382","11.416","0.002","14.213","0.003","20.749","0.004","82.99","0.03","80.48","0.03","76.34","0.03","3214.2","1.2","113","2","113","2","","","","","","","","6","P -1","-P 1","2","","","","- C35 H43 Fe N3 O2 S -","- C35 H43 Fe N3 O2 S -","- C140 H172 Fe4 N12 O8 S4 -","4","2","","Jiang, Shuang; Zhang, Tianyong; Zhang, Xia; Zhang, Guanghui; Hai, Li; Li, Bin","Synthesis, Structural Characterization, and Chemical Properties of Pentacoordinate Model Complexes for the Active Site of [Fe]-Hydrogenase","RSC Adv.","2016","","","","","10.1039/C6RA18628A","","","0.71073","MoKα","","0.0836","0.0506","","","0.0969","0.1105","","","","","","0.974","","","","has coordinates","186060","2020-10-21","18:00:00",""
"7226383","7.6045","0.0015","8.7041","0.0017","22.191","0.004","89.29","0.03","87.47","0.03","71.63","0.03","1392.6","0.5","113","2","113","2","","","","","","","","6","P -1","-P 1","2","","","","- C13 H13 Fe N3 O2 S -","- C13 H13 Fe N3 O2 S -","- C52 H52 Fe4 N12 O8 S4 -","4","2","","Jiang, Shuang; Zhang, Tianyong; Zhang, Xia; Zhang, Guanghui; Hai, Li; Li, Bin","Synthesis, Structural Characterization, and Chemical Properties of Pentacoordinate Model Complexes for the Active Site of [Fe]-Hydrogenase","RSC Adv.","2016","","","","","10.1039/C6RA18628A","","","0.71073","MoKα","","0.0776","0.0566","","","0.1518","0.1565","","","","","","1.062","","","","has coordinates","186060","2020-10-21","18:00:00",""
"7226384","7.0414","0.0017","16.004","0.004","16.841","0.004","90","","98.67","0.003","90","","1876.1","0.8","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C19 H15 Cd Cl2 N3 O -","- C19 H15 Cd Cl2 N3 O -","- C76 H60 Cd4 Cl8 N12 O4 -","4","1","","Zhang, Na; Liu, Dan; Zhang, Huihui; Yu, Jianhua; Wu, Zhichao; Zhu, Qiyong; zhou, Hongping","Cadmium (II) supramolecular complexes constructed from phenylbenzoxazole-based ligand: self-assembly, structural features and nonlinear optical properties","RSC Adv.","2016","","","","","10.1039/C6RA16821C","","","0.71073","MoKα","","0.0265","0.022","","","0.0806","0.0926","","","","","","1.001","","","","has coordinates","186061","2020-10-21","18:00:00",""
"7226385","9.051","0.005","9.426","0.005","15.226","0.005","85.016","0.005","77.951","0.005","62.098","0.005","1122.6","0.9","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C40 H38 Cd2 I4 N6 O4 -","- C40 H38 Cd2 I4 N6 O4 -","- C40 H38 Cd2 I4 N6 O4 -","1","0.5","","Zhang, Na; Liu, Dan; Zhang, Huihui; Yu, Jianhua; Wu, Zhichao; Zhu, Qiyong; zhou, Hongping","Cadmium (II) supramolecular complexes constructed from phenylbenzoxazole-based ligand: self-assembly, structural features and nonlinear optical properties","RSC Adv.","2016","","","","","10.1039/C6RA16821C","","","0.71069","MoKα","","0.033","0.0314","","","0.1034","0.1069","","","","","","0.932","","","","has coordinates","186061","2020-10-21","18:00:00",""
"7226386","7.3599","0.001","8.8756","0.0012","15.374","0.002","78.357","0.001","80.819","0.002","81.586","0.002","964.2","0.2","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C19 H15 Br2 Cd N3 O -","- C19 H15 Br2 Cd N3 O -","- C38 H30 Br4 Cd2 N6 O2 -","2","1","","Zhang, Na; Liu, Dan; Zhang, Huihui; Yu, Jianhua; Wu, Zhichao; Zhu, Qiyong; zhou, Hongping","Cadmium (II) supramolecular complexes constructed from phenylbenzoxazole-based ligand: self-assembly, structural features and nonlinear optical properties","RSC Adv.","2016","","","","","10.1039/C6RA16821C","","","0.71073","MoKα","","0.0274","0.0215","","","0.063","0.0662","","","","","","1.09","","","","has coordinates","186061","2020-10-21","18:00:00",""
"7226387","8.313","0.005","27.927","0.005","9.63","0.005","90","0.005","110.883","0.005","90","0.005","2088.8","1.7","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C21 H15 Cd N5 O S2 -","- C21 H15 Cd N5 O S2 -","- C84 H60 Cd4 N20 O4 S8 -","4","1","","Zhang, Na; Liu, Dan; Zhang, Huihui; Yu, Jianhua; Wu, Zhichao; Zhu, Qiyong; zhou, Hongping","Cadmium (II) supramolecular complexes constructed from phenylbenzoxazole-based ligand: self-assembly, structural features and nonlinear optical properties","RSC Adv.","2016","","","","","10.1039/C6RA16821C","","","0.71069","MoKα","","0.0272","0.0219","","","0.0537","0.0565","","","","","","1.06","","","","has coordinates","186061","2020-10-21","18:00:00",""
"7226388","7.145","0.005","35.461","0.016","10.506","0.007","90","","133","0.11","90","","1947","4","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C20 H22 Cl N O5 Si -","- C20 H22 Cl N O5 Si -","- C80 H88 Cl4 N4 O20 Si4 -","4","1","","Armaghan, Mahsa; Amini, Mostafa M.; Khavasi, Hamid Reza; Zhang, Wen-Hua; Weng, Ng Seik","Inorganic-organic hybrid sorbent for aromatic desulfurization of hydro-carbons: Regenerative adsorption based on charge-transfer complex","RSC Adv.","2016","","","","","10.1039/C6RA17453A","","","0.71073","MoKα","","0.2226","0.1825","","","0.4127","0.4339","","","","","","1.111","","","","has coordinates","186062","2020-10-21","18:00:00",""
"7226389","10.6317","0.0008","14.511","0.001","16.1526","0.0009","90","","90","","90","","2492","0.3","298","2","298","2","","","","","","","","6","P c n b","-P 2b 2ac","60","","","","- C28 H16 Cl2 N2 O6 S -","- C28 H16 Cl2 N2 O6 S -","- C112 H64 Cl8 N8 O24 S4 -","4","0.5","","Armaghan, Mahsa; Amini, Mostafa M.; Khavasi, Hamid Reza; Zhang, Wen-Hua; Weng, Ng Seik","Inorganic-organic hybrid sorbent for aromatic desulfurization of hydro-carbons: Regenerative adsorption based on charge-transfer complex","RSC Adv.","2016","","","","","10.1039/C6RA17453A","","","0.71073","MoKα","","0.1228","0.061","","","0.1423","0.1658","","","","","","0.979","","","","has coordinates","186062","2020-10-21","18:00:00",""
"7226390","10.093","0.0007","10.8435","0.0006","16.7973","0.001","84.075","0.005","86.526","0.005","67.905","0.006","1693.8","0.2","293","2","293.15","","","","","","","","","3","P -1","-P 1","2","","","","- C46 H33 N3 -","- C46 H33 N3 -","- C92 H66 N6 -","2","1","","Han, Mengke; Chen, Ming; Ebendorff-Heidepriem, Heike; fang, cheng; Qin, Anjun; Zhang, Hu; Tang, Ben Zhong; Tang, Youhong; Ruan, Yinlan","An optical fibre sensor for remotely detecting water traces in organic solvents","RSC Adv.","2016","","","","","10.1039/C6RA17475B","","","0.71073","MoKα","","0.0954","0.0535","","","0.1193","0.1496","","","","","","1.028","","","","has coordinates","186063","2020-10-21","18:00:00",""
"7226391","10.321","0.002","6.3748","0.0013","22.799","0.005","90","","98.65","0.03","90","","1483","0.5","170","2","170","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C9 H24 N3 O6 P S -","- C9 H24 N3 O6 P S -","- C36 H96 N12 O24 P4 S4 -","4","1","","Kapdi, Anant; Bhilare, Shatrughn; Gayakhe, Vijay; Ardhapure, Ajay; Sanghvi, Yogesh S.; Schulzke, Carola; Borozdina, Yulia B.","Novel Water-Soluble Phosphatriazenes: Versatile Ligands for Suzuki-Miyaura, Sonogashira and Heck Reactions of Nucleosides","RSC Adv.","2016","","","","","10.1039/C6RA19039A","","","0.71073","MoKα","","0.0423","0.0345","","","0.0901","0.105","","","","","","1.113","","","","has coordinates","186065","2020-10-21","18:00:00",""
"7226392","12.0794","0.0012","8.0555","0.0009","20.207","0.003","90","","90","","90","","1966.3","0.4","293","2","293","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C9 H20 Ho2 O19 -","- C9 H6 Ho2 O19 -","- C36 H24 Ho8 O76 -","4","0.5","","Delgado, Fernando S.; Lorenzo-Luís, Pablo; Pasán, Jorge; Cañadillas-Delgado, Laura; Fabelo, Oscar; Hernández-Molina, María; Lozano-Gorrín, Antonio D.; Lloret, Francesc; Julve, Miguel; Ruiz-Pérez, Catalina","Crystal growth and structural remarks on malonate-based lanthanide coordination polymers","CrystEngComm","2016","18","40","7831","","10.1039/C6CE01360K","","x-ray","0.71073","Mokα","","0.0376","0.0333","","","0.0814","0.0831","","","","","","1.227","","","","has coordinates","188096","2020-10-21","18:00:00",""
"7226393","17.15","0.002","12.284","0.002","11.144","0.002","90","","127.549","0.013","90","","1861.3","0.6","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C9 H18 O18 Sm2 -","- C9 H6 O18 Sm2 -","- C36 H24 O72 Sm8 -","4","0.5","","Delgado, Fernando S.; Lorenzo-Luís, Pablo; Pasán, Jorge; Cañadillas-Delgado, Laura; Fabelo, Oscar; Hernández-Molina, María; Lozano-Gorrín, Antonio D.; Lloret, Francesc; Julve, Miguel; Ruiz-Pérez, Catalina","Crystal growth and structural remarks on malonate-based lanthanide coordination polymers","CrystEngComm","2016","18","40","7831","","10.1039/C6CE01360K","","x-ray","0.71073","Mokα","","0.043","0.0321","","","0.0797","0.0897","","","","","","1.16","","","","has coordinates","188096","2020-10-21","18:00:00",""
"7226394","11.3106","0.0007","12.6698","0.0012","14.7397","0.0015","90","","90","","90","","2112.2","0.3","293","2","293","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C9 H22 Ce2 O20 -","- C9 H6 Ce2 O20 -","- C36 H24 Ce8 O80 -","4","0.5","","Delgado, Fernando S.; Lorenzo-Luís, Pablo; Pasán, Jorge; Cañadillas-Delgado, Laura; Fabelo, Oscar; Hernández-Molina, María; Lozano-Gorrín, Antonio D.; Lloret, Francesc; Julve, Miguel; Ruiz-Pérez, Catalina","Crystal growth and structural remarks on malonate-based lanthanide coordination polymers","CrystEngComm","2016","18","40","7831","","10.1039/C6CE01360K","","x-ray","0.71073","Mokα","","0.0624","0.0415","","","0.0926","0.1024","","","","","","1.109","","","","has coordinates","188096","2020-10-21","18:00:00",""
"7226395","7.6281","0.0008","12.8621","0.0013","8.8824","0.0011","90","","101.279","0.008","90","","854.65","0.17","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C9 H16 Ce2 O17 -","- C9 H6 Ce2 O17 -","- C18 H12 Ce4 O34 -","2","1","","Delgado, Fernando S.; Lorenzo-Luís, Pablo; Pasán, Jorge; Cañadillas-Delgado, Laura; Fabelo, Oscar; Hernández-Molina, María; Lozano-Gorrín, Antonio D.; Lloret, Francesc; Julve, Miguel; Ruiz-Pérez, Catalina","Crystal growth and structural remarks on malonate-based lanthanide coordination polymers","CrystEngComm","2016","18","40","7831","","10.1039/C6CE01360K","","x-ray","0.71073","Mokα","","0.0337","0.0297","","","0.0653","0.0667","","","","","","1.078","","","","has coordinates","188096","2020-10-21","18:00:00",""
"7226396","8.9126","0.0007","10.0253","0.0007","18.9226","0.0016","90","","90.499","0.003","90","","1690.7","0.2","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C15 H14 Cu N2 O8 S -","- C15 H14 Cu N2 O8 S -","- C60 H56 Cu4 N8 O32 S4 -","4","1","","Tiago, Gonçalo A. O.; Ribeiro, Ana; Mahmudov, Kamran T.; Guedes da Silva, M. Fátima C.; Branco, Luis C.; Pombeiro, Armando J. L.","Mononuclear Copper(II) Complexes of Arylhydrazone of 1H-Indene-1,3(2H)-dione as Catalysts for the Oxidation of 1-Phenylethanol in Ionic Liquid Medium","RSC Adv.","2016","","","","","10.1039/C6RA18948B","","","0.71069","MoKα","","0.0741","0.0491","","","0.1246","0.1329","","","","","","1.051","","","","has coordinates","186078","2020-10-21","18:00:00",""
"7226397","7.4989","0.0003","19.3512","0.0006","13.6935","0.0005","90","","94.358","0.001","90","","1981.36","0.12","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C19 H18 Cu N3 O7 S -","- C19 H18 Cu N3 O7 S -","- C76 H72 Cu4 N12 O28 S4 -","4","1","","Tiago, Gonçalo A. O.; Ribeiro, Ana; Mahmudov, Kamran T.; Guedes da Silva, M. Fátima C.; Branco, Luis C.; Pombeiro, Armando J. L.","Mononuclear Copper(II) Complexes of Arylhydrazone of 1H-Indene-1,3(2H)-dione as Catalysts for the Oxidation of 1-Phenylethanol in Ionic Liquid Medium","RSC Adv.","2016","","","","","10.1039/C6RA18948B","","","0.71073","MoKα","","0.0536","0.0432","","","0.1066","0.1158","","","","","","1.098","","","","has coordinates","186078","2020-10-21","18:00:00",""
"7226398","8.3195","0.0004","13.6469","0.0006","12.8427","0.0005","90","","90","","90","","1458.1","0.11","223","2","223","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Methyl 5-(2-methoxybenzoyl)-1-methyl-2-oxo-1,2-dihydropyridine-3-carboxylate","","- C16 H15 N O5 -","- C16 H15 N O5 -","- C64 H60 N4 O20 -","4","1","","Bautista Maezono, Shizuka Mei; Poudel, Tej Narayan; Xia, Likai; Lee, Yong Rok","A green synthetic approach to synthesizing diverse 2-pyridones for their exceptional UV shielding functions","RSC Adv.","2016","6","85","82321","","10.1039/C6RA18661K","","","0.71073","MoKα","","0.0769","0.0616","","","0.1555","0.1659","","","","","","1.043","","","","has coordinates","186083","2020-10-21","18:00:00",""
"7226399","7.0251","0.0003","11.3852","0.0005","32.308","0.0015","90","","90","","90","","2584.1","0.2","150","2","150","2","","","","","","","Fungus Gymnascella dankaliensis","5","P 21 21 21","P 2ac 2ab","19","gymnastatin T","","","- C24 H38 Br N O7 -","- C24 H38 Br N O7 -","- C96 H152 Br4 N4 O28 -","4","1","","Wang, Hao; Dai, Haofu; Heering, Christian; Janiak, Christoph; Lin, Wenhan; Orfali, Raha S.; Müller, Werner E. G.; Liu, Zhen; Proksch, Peter","Targeted solid phase fermentation of the soil dwelling fungus Gymnascella dankaliensis yields new brominated tyrosine-derived alkaloids","RSC Adv.","2016","6","85","81685","","10.1039/C6RA14554J","","","0.71073","MoKα","","0.0747","0.0626","","","0.1579","0.1637","","","","","","1.092","","","","has coordinates","186084","2020-10-21","18:00:00",""
"7226400","9.516","0.005","10.397","0.005","12.669","0.005","66.973","0.005","71.019","0.005","89.378","0.005","1081","0.9","150","2","150","2","","","","","","","","5","P -1","-P 1","2","Piroxicam-Saccharin cocrystal","","","- C22 H18 N4 O7 S2 -","- C22 H18 N4 O7 S2 -","- C44 H36 N8 O14 S4 -","2","1","","Du, Jonathan J.; Váradi, Linda; Williams, Peter A.; Groundwater, Paul W.; Overgaard, Jacob; Platts, James A.; Hibbs, David E.","An analysis of the experimental and theoretical charge density distributions of the piroxicam‒saccharin co-crystal and its constituents","RSC Adv.","2016","6","85","81578","","10.1039/C6RA10411H","","","0.71073","MoKα","","0.0474","0.0355","","","0.1036","0.1102","","","","","","1.003","","","","has coordinates","186086","2020-10-21","18:00:00",""
"7226401","7.034","","14.9894","0.0001","13.8939","0.0001","90","","96.387","0.001","90","","1455.82","0.015","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Piroxicam","","- C15 H13 N3 O4 S -","- C15 H13 N3 O4 S -","- C60 H52 N12 O16 S4 -","4","1","","Du, Jonathan J.; Váradi, Linda; Williams, Peter A.; Groundwater, Paul W.; Overgaard, Jacob; Platts, James A.; Hibbs, David E.","An analysis of the experimental and theoretical charge density distributions of the piroxicam‒saccharin co-crystal and its constituents","RSC Adv.","2016","6","85","81578","","10.1039/C6RA10411H","","","0.71073","MoKα","","0.0427","0.0348","","","0.0974","0.1021","","","","","","1.045","","","","has coordinates","186086","2020-10-21","18:00:00",""
"7226402","9.444","","6.921","","11.684","","90","","103.05","","90","","743.965","","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Saccharin","","","- C7 H5 N O3 S -","- C7 H5 N O3 S -","- C28 H20 N4 O12 S4 -","4","1","","Du, Jonathan J.; Váradi, Linda; Williams, Peter A.; Groundwater, Paul W.; Overgaard, Jacob; Platts, James A.; Hibbs, David E.","An analysis of the experimental and theoretical charge density distributions of the piroxicam‒saccharin co-crystal and its constituents","RSC Adv.","2016","6","85","81578","","10.1039/C6RA10411H","","","0.71073","MoKα","","0.0264","0.0221","","","0.0694","0.0724","","","","","","1.094","","","","has coordinates","186086","2020-10-21","18:00:00",""
"7226403","17.874","0.006","27.273","0.008","11.528","0.005","90","","105.453","0.008","90","","5416","3","173","2","173","2","","","","","","","","5","C 1 m 1","C -2y","8","","","","- C12 H28 Cd Cl4 N2 -","- C12 H28 Cd Cl4 N2 -","- C144 H336 Cd12 Cl48 N24 -","12","3","","Qian, Kun; Shao, Feng; Yan, Zhihong; Pang, Jie; Chen, Xiaodong; Yang, Changxin","A perovskite-type cage compound as a temperature-triggered dielectric switchable material","CrystEngComm","2016","18","40","7671","","10.1039/C6CE01421F","","","0.71073","MoKα","","0.0589","0.0452","","","0.1047","0.1118","","","","","","1.087","","","","has coordinates","188090","2020-10-21","18:00:00",""
"7226404","27.432","0.005","8.4349","0.0017","8.0648","0.0016","90","","90","","90","","1866.1","0.6","298","2","298","2","","","","","","","","5","C m c 21","C 2c -2","36","","","","- C12 H28 Cd Cl4 N2 -","- C12 H28 Cd Cl4 N2 -","- C48 H112 Cd4 Cl16 N8 -","4","0.5","","Qian, Kun; Shao, Feng; Yan, Zhihong; Pang, Jie; Chen, Xiaodong; Yang, Changxin","A perovskite-type cage compound as a temperature-triggered dielectric switchable material","CrystEngComm","2016","18","40","7671","","10.1039/C6CE01421F","","","0.71073","MoKα","","0.0439","0.0362","","","0.0592","0.0609","","","","","","1.083","","","","has coordinates,has disorder","188090","2020-10-21","18:00:00",""
"7226405","10.5847","0.0006","8.8751","0.0005","16.2063","0.0009","90","","106.21","0.006","90","","1461.9","0.15","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C15 H13 N3 S2 -","- C15 H13 N3 S2 -","- C60 H52 N12 S8 -","4","1","","Phukan, Nithi; Baruah, Jubaraj B.","Conformational adjustments over synthons of urea and thiourea based assemblies","CrystEngComm","2016","18","40","7753","","10.1039/C6CE01326K","","","0.71073","MoKα","","0.0757","0.0531","","","0.085","0.0956","","","","","","1.017","","","","has coordinates","188093","2020-10-21","18:00:00",""
"7226406","22.884","0.003","8.3045","0.0006","15.2009","0.0012","90","","101.047","0.008","90","","2835.3","0.5","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C15 H13 N3 S2 -","- C15 H13 N3 S2 -","- C120 H104 N24 S16 -","8","1","","Phukan, Nithi; Baruah, Jubaraj B.","Conformational adjustments over synthons of urea and thiourea based assemblies","CrystEngComm","2016","18","40","7753","","10.1039/C6CE01326K","","","0.71073","MoKα","","0.0432","0.036","","","0.1107","0.1222","","","","","","1.092","","","","has coordinates","188093","2020-10-21","18:00:00",""
"7226407","7.6645","0.0006","7.8706","0.0007","12.6909","0.0012","107.745","0.006","99.244","0.007","97.038","0.006","707.6","0.11","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C15 H13 N3 S2 -","- C15 H13 N3 S2 -","- C30 H26 N6 S4 -","2","1","","Phukan, Nithi; Baruah, Jubaraj B.","Conformational adjustments over synthons of urea and thiourea based assemblies","CrystEngComm","2016","18","40","7753","","10.1039/C6CE01326K","","","0.71073","MoKα","","0.0527","0.0363","","","0.1056","0.117","","","","","","1.061","","","","has coordinates","188093","2020-10-21","18:00:00",""
"7226408","7.6357","0.0005","8.2456","0.0008","11.8464","0.0006","97.352","0.006","104.485","0.005","96.981","0.007","707","0.09","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C15 H13 N3 S2 -","- C15 H13 N3 S2 -","- C30 H26 N6 S4 -","2","1","","Phukan, Nithi; Baruah, Jubaraj B.","Conformational adjustments over synthons of urea and thiourea based assemblies","CrystEngComm","2016","18","40","7753","","10.1039/C6CE01326K","","","0.71073","MoKα","","0.05","0.0382","","","0.0648","0.0709","","","","","","1.077","","","","has coordinates","188093","2020-10-21","18:00:00",""
"7226409","12.4078","0.0012","15.0565","0.0012","15.0342","0.0011","90","","97.887","0.008","90","","2782.1","0.4","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H11 N3 S2 -","- C15 H11 N3 S2 -","- C120 H88 N24 S16 -","8","2","","Phukan, Nithi; Baruah, Jubaraj B.","Conformational adjustments over synthons of urea and thiourea based assemblies","CrystEngComm","2016","18","40","7753","","10.1039/C6CE01326K","","","0.71073","MoKα","","0.1438","0.0954","","","0.1797","0.1939","","","","","","1.094","","","","has coordinates","188093","2020-10-21","18:00:00",""
"7226410","8.079","0.005","9.344","0.006","9.702","0.006","100.825","0.013","94.448","0.013","105.221","0.012","687.9","0.7","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C15 H13 N3 O S -","- C15 H13 N3 O S -","- C30 H26 N6 O2 S2 -","2","1","","Phukan, Nithi; Baruah, Jubaraj B.","Conformational adjustments over synthons of urea and thiourea based assemblies","CrystEngComm","2016","18","40","7753","","10.1039/C6CE01326K","","","0.71073","MoKα","","0.0621","0.0394","","","0.0751","0.0793","","","","","","1.078","","","","has coordinates","188093","2020-10-21","18:00:00",""
"7226411","15.4084","0.0008","7.7845","0.0004","27.4631","0.0014","90","","90","","90","","3294.1","0.3","296","2","296","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C15 H16 Cl N3 O2 S -","- C15 H16 Cl N3 O2 S -","- C120 H128 Cl8 N24 O16 S8 -","8","1","","Phukan, Nithi; Baruah, Jubaraj B.","Conformational adjustments over synthons of urea and thiourea based assemblies","CrystEngComm","2016","18","40","7753","","10.1039/C6CE01326K","","","0.71073","MoKα","","0.0866","0.0397","","","0.0578","0.0654","","","","","","1.085","","","","has coordinates","188093","2020-10-21","18:00:00",""
"7226412","8.335","0.0016","7.321","0.0018","14.859","0.003","90","","91.577","0.013","90","","906.4","0.3","296","2","296","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C15 H16 Cl N3 O6 S -","- C15 H16 Cl N3 O6 S -","- C30 H32 Cl2 N6 O12 S2 -","2","1","","Phukan, Nithi; Baruah, Jubaraj B.","Conformational adjustments over synthons of urea and thiourea based assemblies","CrystEngComm","2016","18","40","7753","","10.1039/C6CE01326K","","","0.71073","MoKα","","0.096","0.0626","","","0.1456","0.1797","","","","","","1.057","","","","has coordinates","188093","2020-10-21","18:00:00",""
"7226413","8.3706","0.0012","18.536","0.002","21.658","0.003","90","","99.199","0.01","90","","3317.2","0.8","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C31 H49 Cl N4 O S -","- C31 H49 Cl N4 O S -","- C124 H196 Cl4 N16 O4 S4 -","4","1","","Phukan, Nithi; Baruah, Jubaraj B.","Conformational adjustments over synthons of urea and thiourea based assemblies","CrystEngComm","2016","18","40","7753","","10.1039/C6CE01326K","","","0.71073","MoKα","","0.1229","0.0609","","","0.133","0.1531","","","","","","1.094","","","","has coordinates","188093","2020-10-21","18:00:00",""
"7226414","8.4037","0.0012","10.2399","0.0015","19.874","0.003","97.051","0.007","95.211","0.007","94.056","0.007","1684.5","0.4","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C31 H51 Cl N4 O2 S -","- C31 H51 Cl N4 O2 S -","- C62 H102 Cl2 N8 O4 S2 -","2","1","","Phukan, Nithi; Baruah, Jubaraj B.","Conformational adjustments over synthons of urea and thiourea based assemblies","CrystEngComm","2016","18","40","7753","","10.1039/C6CE01326K","","","0.71073","MoKα","","0.0738","0.0497","","","0.0946","0.1024","","","","","","1.055","","","","has coordinates","188093","2020-10-21","18:00:00",""
"7226415","11.5868","0.0016","15.626","0.002","19.065","0.002","90","","98.02","0.009","90","","3418.1","0.7","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C31 H51 Cl N4 O2 S -","- C31 H51 Cl N4 O2 S -","- C124 H204 Cl4 N16 O8 S4 -","4","1","","Phukan, Nithi; Baruah, Jubaraj B.","Conformational adjustments over synthons of urea and thiourea based assemblies","CrystEngComm","2016","18","40","7753","","10.1039/C6CE01326K","","","0.71073","MoKα","","0.1919","0.0902","","","0.1919","0.2324","","","","","","1.096","","","","has coordinates","188093","2020-10-21","18:00:00",""
"7226416","8.4428","0.0008","22.3348","0.0019","7.7119","0.0007","90","","106.99","0.006","90","","1390.8","0.2","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H13 N3 O S -","- C15 H13 N3 O S -","- C60 H52 N12 O4 S4 -","4","1","","Phukan, Nithi; Baruah, Jubaraj B.","Conformational adjustments over synthons of urea and thiourea based assemblies","CrystEngComm","2016","18","40","7753","","10.1039/C6CE01326K","","","0.71073","MoKα","","0.0718","0.0439","","","0.0725","0.0811","","","","","","1.071","","","","has coordinates","188093","2020-10-21","18:00:00",""
"7226417","16.1738","0.0012","16.3065","0.0012","17.2609","0.0012","111.457","0.0019","110.595","0.002","96.01","0.002","3821.1","0.5","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C60 H60 La2 N6 O18 S6 -","- C60 H60 La2 N6 O18 S6 -","- C120 H120 La4 N12 O36 S12 -","2","1","","Rong, Jiewei; Zhang, Wenwei; Bai, Junfeng","Highly thermostable lanthanide(iii) MOFs constructed from 4,4′,4′′-s-triazine-2,4,6-triyl-tribenzoate ligand: synthesis, structure, and tunable white-light emission","CrystEngComm","2016","18","40","7728","","10.1039/C6CE01585A","","","0.71073","MoKα","","0.101","0.0869","","","0.2309","0.2367","","","","","","1.064","","","","has coordinates,has disorder","188098","2020-10-21","18:00:00",""
"7226418","16.1339","0.0006","16.3437","0.0006","17.2177","0.0006","111.101","0.001","110.695","0.001","96.1766","0.0012","3816.2","0.2","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C60 H60 Ce2 N6 O18 S6 -","- C60 H60 Ce2 N6 O18 S6 -","- C120 H120 Ce4 N12 O36 S12 -","2","1","","Rong, Jiewei; Zhang, Wenwei; Bai, Junfeng","Highly thermostable lanthanide(iii) MOFs constructed from 4,4′,4′′-s-triazine-2,4,6-triyl-tribenzoate ligand: synthesis, structure, and tunable white-light emission","CrystEngComm","2016","18","40","7728","","10.1039/C6CE01585A","","","0.71073","MoKα","","0.0737","0.0548","","","0.1619","0.1716","","","","","","1.148","","","","has coordinates,has disorder","188098","2020-10-21","18:00:00",""
"7226419","16.123","0.0008","16.3385","0.0008","17.2058","0.0008","110.634","0.001","110.904","0.001","96.368","0.001","3814.6","0.3","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C60 H60 N6 O18 Pr2 S6 -","- C60 H60 N6 O18 Pr2 S6 -","- C120 H120 N12 O36 Pr4 S12 -","2","1","","Rong, Jiewei; Zhang, Wenwei; Bai, Junfeng","Highly thermostable lanthanide(iii) MOFs constructed from 4,4′,4′′-s-triazine-2,4,6-triyl-tribenzoate ligand: synthesis, structure, and tunable white-light emission","CrystEngComm","2016","18","40","7728","","10.1039/C6CE01585A","","","0.71073","mokα","","0.0572","0.05","","","0.1496","0.156","","","","","","0.965","","","","has coordinates,has disorder","189829","2020-10-21","18:00:00",""
"7226420","16.0585","0.0007","16.3646","0.0007","17.1438","0.0007","110.363","0.0007","111.01","0.0007","96.5967","0.0008","3792.2","0.3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C119 H118 N12 O36 S11 Sm4 -","- C119 H118 N12 O36 S11 Sm4 -","- C119 H118 N12 O36 S11 Sm4 -","1","0.5","","Rong, Jiewei; Zhang, Wenwei; Bai, Junfeng","Highly thermostable lanthanide(iii) MOFs constructed from 4,4′,4′′-s-triazine-2,4,6-triyl-tribenzoate ligand: synthesis, structure, and tunable white-light emission","CrystEngComm","2016","18","40","7728","","10.1039/C6CE01585A","","","0.71073","MoKα","","0.074","0.0502","","","0.1567","0.1777","","","","","","1.123","","","","has coordinates,has disorder","188098","2020-10-21","18:00:00",""
"7226421","16.0536","0.0006","16.3481","0.0007","17.1341","0.0007","110.266","0.001","111.024","0.001","96.714","0.001","3785.3","0.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C65 H73 Eu2 N7 O20 S7 -","- C65 H73 Eu2 N7 O20 S7 -","- C130 H146 Eu4 N14 O40 S14 -","2","1","","Rong, Jiewei; Zhang, Wenwei; Bai, Junfeng","Highly thermostable lanthanide(iii) MOFs constructed from 4,4′,4′′-s-triazine-2,4,6-triyl-tribenzoate ligand: synthesis, structure, and tunable white-light emission","CrystEngComm","2016","18","40","7728","","10.1039/C6CE01585A","","","0.71073","MoKα","","0.0732","0.0543","","","0.1574","0.1765","","","","","","1.046","","","","has coordinates,has disorder","188098","2020-10-21","18:00:00",""
"7226422","16.0917","0.0006","16.3567","0.0006","17.1769","0.0006","110.724","0.001","110.848","0.001","96.387","0.001","3803.4","0.2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C59 H58 N6 Nd2 O18 S5 -","- C59 H58 N6 Nd2 O18 S5 -","- C118 H116 N12 Nd4 O36 S10 -","2","1","","Rong, Jiewei; Zhang, Wenwei; Bai, Junfeng","Highly thermostable lanthanide(iii) MOFs constructed from 4,4′,4′′-s-triazine-2,4,6-triyl-tribenzoate ligand: synthesis, structure, and tunable white-light emission","CrystEngComm","2016","18","40","7728","","10.1039/C6CE01585A","","","0.71073","MoKα","","0.0616","0.0531","","","0.1658","0.173","","","","","","1.096","","","","has coordinates","188098","2020-10-21","18:00:00",""
"7226423","16.0579","0.0007","16.2365","0.0007","17.1282","0.0008","109.654","0.001","111.356","0.001","96.945","0.001","3763","0.3","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C59 H58 Gd2 N6 O18 S5 -","- C59 H58 Gd2 N6 O18 S5 -","- C118 H116 Gd4 N12 O36 S10 -","2","1","","Rong, Jiewei; Zhang, Wenwei; Bai, Junfeng","Highly thermostable lanthanide(iii) MOFs constructed from 4,4′,4′′-s-triazine-2,4,6-triyl-tribenzoate ligand: synthesis, structure, and tunable white-light emission","CrystEngComm","2016","18","40","7728","","10.1039/C6CE01585A","","","0.71073","MoKα","","0.0757","0.0545","","","0.1762","0.1931","","","","","","1.105","","","","has coordinates","188098","2020-10-21","18:00:00",""
"7226424","16.029","0.0007","16.2743","0.0007","17.1155","0.0007","109.868","0.001","111.261","0.001","96.858","0.001","3760.3","0.3","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C59 H58 N6 O18 S5 Tb2 -","- C59 H58 N6 O18 S5 Tb2 -","- C118 H116 N12 O36 S10 Tb4 -","2","1","","Rong, Jiewei; Zhang, Wenwei; Bai, Junfeng","Highly thermostable lanthanide(iii) MOFs constructed from 4,4′,4′′-s-triazine-2,4,6-triyl-tribenzoate ligand: synthesis, structure, and tunable white-light emission","CrystEngComm","2016","18","40","7728","","10.1039/C6CE01585A","","","0.71073","MoKα","","0.0796","0.0565","","","0.1771","0.1945","","","","","","1.211","","","","has coordinates","188098","2020-10-21","18:00:00",""
"7226425","6.1741","0.0003","22.3708","0.0007","12.6253","0.0004","90","","103.267","0.004","90","","1697.26","0.12","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H21 N O3 -","- C20 H21 N O3 -","- C80 H84 N4 O12 -","4","1","","Lepikhina, Anastasia; Bakulina, Olga; Dar'in, Dmitry; Krasavin, Mikhail","The first solvent-free synthesis of privileged gamma- and delta-lactams via the Castagnoli-Cushman reaction","RSC Adv.","2016","","","","","10.1039/C6RA19196G","","","0.71073","MoKα","","0.0583","0.0436","","","0.0942","0.101","","","","","","1.031","","","","has coordinates","186117","2020-10-21","18:00:00",""
"7226426","9.2973","0.0003","9.6961","0.0003","17.2808","0.0006","90","","110.402","0.003","90","","1460.1","0.09","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H17 N O3 -","- C18 H17 N O3 -","- C72 H68 N4 O12 -","4","1","","Lepikhina, Anastasia; Bakulina, Olga; Dar'in, Dmitry; Krasavin, Mikhail","The first solvent-free synthesis of privileged gamma- and delta-lactams via the Castagnoli-Cushman reaction","RSC Adv.","2016","","","","","10.1039/C6RA19196G","","x-ray","1.54184","CuKα","","0.0511","0.0431","","","0.1103","0.1185","","","","","","1.034","","","","has coordinates","186117","2020-10-21","18:00:00",""
"7226427","10.15491","0.00019","11.7971","0.0002","14.1333","0.0003","90","","97.8247","0.0017","90","","1677.38","0.06","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H18 Cl N O3 -","- C19 H18 Cl N O3 -","- C76 H72 Cl4 N4 O12 -","4","1","","Lepikhina, Anastasia; Bakulina, Olga; Dar'in, Dmitry; Krasavin, Mikhail","The first solvent-free synthesis of privileged gamma- and delta-lactams via the Castagnoli-Cushman reaction","RSC Adv.","2016","","","","","10.1039/C6RA19196G","","","0.71073","MoKα","","0.0361","0.0322","","","0.0811","0.084","","","","","","1.028","","","","has coordinates","186117","2020-10-21","18:00:00",""
"7226428","18.0376","0.0011","22.8076","0.0014","16.8356","0.0012","90","","116.871","0.0018","90","","6178.2","0.7","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C70 H64 Cl2 N4 O9 -","- C70 H64 Cl2 N4 O9 -","- C280 H256 Cl8 N16 O36 -","4","1","","Jin, Gong; Sun, Jing; Yan, Chao Guo","Formation of zwitterionic salts via three-component reaction of benzimidazolium bromides, aromatic aldehydes and 1,3-indanedione","RSC Adv.","2016","","","","","10.1039/C6RA16838H","","","0.71073","MoKα","","0.1239","0.0723","","","0.1526","0.1746","","","","","","1.08","","","","has coordinates,has disorder","186118","2020-10-21","18:00:00",""
"7226429","8.8753","0.0017","16.06","0.003","26.02","0.005","90","","94.574","0.006","90","","3697","1.2","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C39 H42 Cl N3 O6 -","- C39 H42 Cl N3 O6 -","- C156 H168 Cl4 N12 O24 -","4","1","","Jin, Gong; Sun, Jing; Yan, Chao Guo","Formation of zwitterionic salts via three-component reaction of benzimidazolium bromides, aromatic aldehydes and 1,3-indanedione","RSC Adv.","2016","","","","","10.1039/C6RA16838H","","","0.71073","MoKα","","0.0972","0.0578","","","0.1533","0.1745","","","","","","1.057","","","","has coordinates","186118","2020-10-21","18:00:00",""
"7226430","30.451","0.002","9.3827","0.0007","25.6604","0.0015","90","","123.198","0.003","90","","6134.9","0.7","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C36 H32 N2 O3 -","- C36 H32 N2 O3 -","- C288 H256 N16 O24 -","8","1","","Jin, Gong; Sun, Jing; Yan, Chao Guo","Formation of zwitterionic salts via three-component reaction of benzimidazolium bromides, aromatic aldehydes and 1,3-indanedione","RSC Adv.","2016","","","","","10.1039/C6RA16838H","","","0.71073","MoKα","","0.1849","0.1031","","","0.2724","0.3124","","","","","","1.077","","","","has coordinates","186118","2020-10-21","18:00:00",""
"7226431","9.1914","0.0017","12.057","0.002","13.832","0.003","71.029","0.006","80.098","0.006","78.561","0.006","1411.2","0.5","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C31 H31 Cl N2 O5 -","- C31 H31 Cl N2 O5 -","- C62 H62 Cl2 N4 O10 -","2","1","","Jin, Gong; Sun, Jing; Yan, Chao Guo","Formation of zwitterionic salts via three-component reaction of benzimidazolium bromides, aromatic aldehydes and 1,3-indanedione","RSC Adv.","2016","","","","","10.1039/C6RA16838H","","","0.71073","MoKα","","0.116","0.0624","","","0.1598","0.1901","","","","","","1.036","","","","has coordinates","186118","2020-10-21","18:00:00",""
"7226432","10.3766","0.0004","24.7578","0.001","12.8736","0.0005","90","","110.917","0.001","90","","3089.3","0.2","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C32 H25 Cd N5 O11 -","- C32 H25 Cd N5 O11 -","- C128 H100 Cd4 N20 O44 -","4","1","","Wang, Xiuli; Wu, Xiaomei; Liu, Guocheng; Lin, Hongyan; Wang, Xiang","A series of pyridyl-amide-based ZnII/CdII coordination polymers and their polypyrrole-functionalized composite materials for tuning their photocatalytic properties","RSC Adv.","2016","","","","","10.1039/C6RA18428F","","","0.71073","MoKα","","0.0536","0.0335","","","0.0712","0.0785","","","","","","1","","","","has coordinates","186119","2020-10-21","18:00:00",""
"7226433","10.4806","0.0007","13.6856","0.0009","13.7734","0.001","102.637","0.002","108.656","0.001","107.219","0.001","1677.2","0.2","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C34 H29 Cd N5 O8 S -","- C34 H29 Cd N5 O8 S -","- C68 H58 Cd2 N10 O16 S2 -","2","1","","Wang, Xiuli; Wu, Xiaomei; Liu, Guocheng; Lin, Hongyan; Wang, Xiang","A series of pyridyl-amide-based ZnII/CdII coordination polymers and their polypyrrole-functionalized composite materials for tuning their photocatalytic properties","RSC Adv.","2016","","","","","10.1039/C6RA18428F","","","0.71073","MoKα","","0.0826","0.0477","","","0.0981","0.1121","","","","","","0.997","","","","has coordinates","186119","2020-10-21","18:00:00",""
"7226434","10.4913","0.0005","11.7339","0.0006","13.5701","0.0007","76.691","0.001","71.207","0.001","65.642","0.001","1431.5","0.13","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C30 H24 Cd N4 O9 S -","- C30 H24 Cd N4 O9 S -","- C60 H48 Cd2 N8 O18 S2 -","2","1","","Wang, Xiuli; Wu, Xiaomei; Liu, Guocheng; Lin, Hongyan; Wang, Xiang","A series of pyridyl-amide-based ZnII/CdII coordination polymers and their polypyrrole-functionalized composite materials for tuning their photocatalytic properties","RSC Adv.","2016","","","","","10.1039/C6RA18428F","","","0.71073","MoKα","","0.0456","0.0371","","","0.0936","0.0988","","","","","","1","","","","has coordinates","186119","2020-10-21","18:00:00",""
"7226435","10.1284","0.001","12.0926","0.0012","13.4971","0.0014","78.314","0.002","70.447","0.002","65.607","0.002","1414.7","0.2","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C30 H24 N4 O9 S Zn -","- C30 H24 N4 O9 S Zn -","- C60 H48 N8 O18 S2 Zn2 -","2","1","","Wang, Xiuli; Wu, Xiaomei; Liu, Guocheng; Lin, Hongyan; Wang, Xiang","A series of pyridyl-amide-based ZnII/CdII coordination polymers and their polypyrrole-functionalized composite materials for tuning their photocatalytic properties","RSC Adv.","2016","","","","","10.1039/C6RA18428F","","","0.71073","MoKα","","0.066","0.0457","","","0.1241","0.1359","","","","","","1","","","","has coordinates","186119","2020-10-21","18:00:00",""
"7226436","9.773","0.002","11.977","0.003","14.07","0.003","89.63","0.005","69.748","0.004","67.361","0.004","1410.7","0.6","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C32 H24 N4 O8 Zn -","- C32 H24 N4 O8 Zn -","- C64 H48 N8 O16 Zn2 -","2","1","","Wang, Xiuli; Wu, Xiaomei; Liu, Guocheng; Lin, Hongyan; Wang, Xiang","A series of pyridyl-amide-based ZnII/CdII coordination polymers and their polypyrrole-functionalized composite materials for tuning their photocatalytic properties","RSC Adv.","2016","","","","","10.1039/C6RA18428F","","","0.71073","MoKα","","0.0985","0.0807","","","0.2315","0.2404","","","","","","0.997","","","","has coordinates","186119","2020-10-21","18:00:00",""
"7226437","32.186","0.004","7.6775","0.0009","16.1688","0.0018","90","","99.03","0.002","90","","3945.9","0.8","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C40 H30 N6 O13 Zn2 -","- C40 H30 N6 O13 Zn2 -","- C160 H120 N24 O52 Zn8 -","4","0.5","","Wang, Xiuli; Wu, Xiaomei; Liu, Guocheng; Lin, Hongyan; Wang, Xiang","A series of pyridyl-amide-based ZnII/CdII coordination polymers and their polypyrrole-functionalized composite materials for tuning their photocatalytic properties","RSC Adv.","2016","","","","","10.1039/C6RA18428F","","","0.71073","MoKα","","0.1052","0.0513","","","0.1124","0.1322","","","","","","1","","","","has coordinates","186119","2020-10-21","18:00:00",""
"7226438","7.743","0.004","8.302","0.005","10.605","0.006","85.5","0.011","78.807","0.01","71.153","0.009","632.8","0.6","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","1,4-dinitroxymethyl-3,6-dinitropyrazolo[4,3-c]pyrazole","","- C6 H4 N8 O10 -","- C6 H4 N8 O10 -","- C12 H8 N16 O20 -","2","1","","Li, Yanan; Shu, Yuan-jie; Wang, Bozhou; Zhang, Shengyong; Zhai, Lian-jie","Synthesis, structure and properties of neutral energetic materials based on N-functionalization of 3,6-dinitropyrazolo[4,3-c]pyrazole","RSC Adv.","2016","","","","","10.1039/C6RA19556C","","","0.71073","MoKα","","0.1559","0.0872","","","0.2173","0.2603","","","","","","1.038","","","","has coordinates","186120","2020-10-21","18:00:00",""
"7226439","9.082","0.002","5.4849","0.0013","16.575","0.004","90","","90","","90","","825.7","0.3","296","2","296","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","1,4-diamino-3,6-dinitropyrazolo[4,3-c]pyrazole","","- C4 H4 N8 O4 -","- C4 H4 N8 O4 -","- C16 H16 N32 O16 -","4","0.5","","Li, Yanan; Shu, Yuan-jie; Wang, Bozhou; Zhang, Shengyong; Zhai, Lian-jie","Synthesis, structure and properties of neutral energetic materials based on N-functionalization of 3,6-dinitropyrazolo[4,3-c]pyrazole","RSC Adv.","2016","","","","","10.1039/C6RA19556C","","","0.71073","MoKα","","0.0307","0.0291","","","0.0816","0.0834","","","","","","1.049","","","","has coordinates","186120","2020-10-21","18:00:00",""
"7226440","5.0574","0.0014","9.395","0.003","9.872","0.003","100.11","0.004","97.281","0.004","100.102","0.004","448.6","0.2","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","3,6-dinitropyrazolo[4,3-c]-pyrazole","","- C4 H6 N6 O6 -","- C4 H6 N6 O6 -","- C8 H12 N12 O12 -","2","1","","Li, Yanan; Shu, Yuan-jie; Wang, Bozhou; Zhang, Shengyong; Zhai, Lian-jie","Synthesis, structure and properties of neutral energetic materials based on N-functionalization of 3,6-dinitropyrazolo[4,3-c]pyrazole","RSC Adv.","2016","","","","","10.1039/C6RA19556C","","","0.71073","MoKα","","0.0407","0.038","","","0.0974","0.0991","","","","","","1.051","","","","has coordinates","186120","2020-10-21","18:00:00",""
"7226441","9.7307","0.0006","10.8147","0.0005","11.1682","0.0008","68.269","0.005","72.364","0.006","69.847","0.005","1003.97","0.12","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C17 H29 N2 O5 P -","- C17 H29 N2 O5 P -","- C34 H58 N4 O10 P2 -","2","1","","Zhang, Ji-Quan; Xiong, Yan-Shi; Chan, Albert S. C.; Lu, Gui","Cu(II)-catalyzed cross-dehydrogenative coupling reaction of N’-acyl arylhydrazines and phosphites","RSC Adv.","2016","","","","","10.1039/C6RA13931K","","x-ray","1.54184","CuKα","","0.0365","0.0326","","","0.0819","0.0854","","","","","","1.052","","","","has coordinates","186121","2020-10-21","18:00:00",""
"7226442","8.9423","0.0008","10.7137","0.001","10.449","0.0009","90","","94.596","0.003","90","","997.85","0.16","293","","293","","","","","","","","","5","P 1 21 1","P 2yb","4","7-Br","tert-butyl (7-bromo-3-(2,4-dioxopentan-3-yl)-1-methyl-2-oxoindolin-3-yl)carbamate","","- C19 H23 Br N2 O5 -","- C19 H23 Br N2 O5 -","- C38 H46 Br2 N4 O10 -","2","1","","Trivedi, Rajiv; Kadiyala, Srinivasa Rao; Pambala, Ramesh; Chowhan, Raju","Asymmetric Mannich Reaction: Highly Enantioselective Synthesis of 3-Amino-oxindoles via Chiral Squaramide Based H-bond Donor Catalysis","RSC Adv.","2016","","","","","10.1039/C6RA16877A","","","0.71075","MoKα","","","0.0559","","","","0.1614","","","","","","0.952","","","","has coordinates","186122","2020-10-21","18:00:00",""
"7226443","10.7112","0.0006","11.0294","0.0006","13.696","0.0005","107.945","0.004","96.334","0.004","107.336","0.005","1432.52","0.14","293","2","293.15","","","","","","","","","4","P -1","-P 1","2","","1 PF6","","- C29 H38 F6 P2 -","- C29 H38 F6 P2 -","- C58 H76 F12 P4 -","2","1","","Li, Gaocan; Xu, Yangyang; Zhuang, Weihua; Wang, Yunbing","Preparation of organic mechanochromic fluorophores with simple structures and promising mechanochromic luminescence properties","RSC Adv.","2016","","","","","10.1039/C6RA20022B","","x-ray","0.71073","MoKα","","0.0948","0.0634","","","0.1793","0.2011","","","","","","1.068","","","","has coordinates,has disorder","186123","2020-10-21","18:00:00",""
"7226444","10.7725","0.0003","16.6577","0.0005","18.3152","0.0007","98.142","0.003","94.137","0.003","92.423","0.002","3240.38","0.18","100","0.2","100","0.2","","","","","","","","7","P -1","-P 1","2","","","","- C31 H38 F6 N O4 P S2 -","- C31 H38 F6 N O4 P S2 -","- C124 H152 F24 N4 O16 P4 S8 -","4","2","","Li, Gaocan; Xu, Yangyang; Zhuang, Weihua; Wang, Yunbing","Preparation of organic mechanochromic fluorophores with simple structures and promising mechanochromic luminescence properties","RSC Adv.","2016","","","","","10.1039/C6RA20022B","","x-ray","1.54184","CuKα","","0.0755","0.0715","","","0.1852","0.1911","","","","","","1.047","","","","has coordinates","192220","2020-10-21","18:00:00",""
"7226445","11.913627","0.000045","11.913627","0.000045","11.913627","0.000045","90","","90","","90","","1690.95","0.011","300","","300","","","","","","","","","4","I a -3 d","-I 4bd 2c 3","230","","","","- Al40 Ce0.24 Lu23.76 O96 -","- Al40 Ce0.24 Lu23.76 O96 -","- Al40 Ce0.24 Lu23.76 O96 -","1","0.0104167","","Haipeng Ji; Le Wang; Maxim Molokeev; Naoto Hirosaki; Rong-Jun Xie; Zhaohui Huang; Zhiguo Xia; Otmar Melvin ten Kate; Lihong Liu; Victor V. Atuchin","Structure evolution and photoluminescence of Lu3(Al,Mg)2(Al,Si)3O12:Ce3+ phosphors: New yellow-color converter for blue LED-driven solid state lighting","Journal of Materials Chemistry C","2016","4","0","6855","6863","10.1039/c6tc00966b","powder diffraction","x-ray","1.5406","CuKα~1~~2~","","","","","","","","","3.19","2.316","","","","","","","has coordinates,has Fobs","205493","2020-10-21","18:00:00",""
"7226446","11.938448","0.000035","11.938448","0.000035","11.938448","0.000035","90","","90","","90","","1701.55","0.009","300","","300","","","","","","","","","6","I a -3 d","-I 4bd 2c 3","230","","","","- Al32 Ce0.24 Lu23.76 Mg4 O96 Si4 -","- Al32 Ce0.24 Lu23.76 Mg4 O96 Si4 -","- Al32 Ce0.24 Lu23.76 Mg4 O96 Si4 -","1","0.0104167","","Haipeng Ji; Le Wang; Maxim Molokeev; Naoto Hirosaki; Rong-Jun Xie; Zhaohui Huang; Zhiguo Xia; Otmar Melvin ten Kate; Lihong Liu; Victor V. Atuchin","Structure evolution and photoluminescence of Lu3(Al,Mg)2(Al,Si)3O12:Ce3+ phosphors: New yellow-color converter for blue LED-driven solid state lighting","Journal of Materials Chemistry C","2016","4","0","6855","6863","10.1039/c6tc00966b","powder diffraction","x-ray","1.5406","CuKα~1~~2~","","","","","","","","","1.41","1.623","","","","","","","has coordinates,has Fobs","205493","2020-10-21","18:00:00",""
"7226447","11.959885","0.000042","11.959885","0.000042","11.959885","0.000042","90","","90","","90","","1710.73","0.01","300","","300","","","","","","","","","6","I a -3 d","-I 4bd 2c 3","230","","","","- Al24 Ce0.24 Lu23.76 Mg8 O96 Si8 -","- Al24 Ce0.24 Lu23.76 Mg8 O96 Si8 -","- Al24 Ce0.24 Lu23.76 Mg8 O96 Si8 -","1","0.0104167","","Haipeng Ji; Le Wang; Maxim Molokeev; Naoto Hirosaki; Rong-Jun Xie; Zhaohui Huang; Zhiguo Xia; Otmar Melvin ten Kate; Lihong Liu; Victor V. Atuchin","Structure evolution and photoluminescence of Lu3(Al,Mg)2(Al,Si)3O12:Ce3+ phosphors: New yellow-color converter for blue LED-driven solid state lighting","Journal of Materials Chemistry C","2016","4","0","6855","6863","10.1039/c6tc00966b","powder diffraction","x-ray","1.5406","CuKα~1~~2~","","","","","","","","","1.41","1.558","","","","","","","has coordinates,has Fobs","205493","2020-10-21","18:00:00",""
"7226448","11.979965","0.000059","11.979965","0.000059","11.979965","0.000059","90","","90","","90","","1719.36","0.015","300","","300","","","","","","","","","6","I a -3 d","-I 4bd 2c 3","230","","","","- Al16 Ce0.24 Lu23.76 Mg12 O96 Si12 -","- Al16 Ce0.24 Lu23.76 Mg12 O96 Si12 -","- Al16 Ce0.24 Lu23.76 Mg12 O96 Si12 -","1","0.0104167","","Haipeng Ji; Le Wang; Maxim Molokeev; Naoto Hirosaki; Rong-Jun Xie; Zhaohui Huang; Zhiguo Xia; Otmar Melvin ten Kate; Lihong Liu; Victor V. Atuchin","Structure evolution and photoluminescence of Lu3(Al,Mg)2(Al,Si)3O12:Ce3+ phosphors: New yellow-color converter for blue LED-driven solid state lighting","Journal of Materials Chemistry C","2016","4","0","6855","6863","10.1039/c6tc00966b","powder diffraction","x-ray","1.5406","CuKα~1~~2~","","","","","","","","","1.38","1.741","","","","","","","has coordinates,has Fobs","205493","2020-10-21","18:00:00",""
"7226449","11.985987","0.00006","11.985987","0.00006","11.985987","0.00006","90","","90","","90","","1721.95","0.015","300","","300","","","","","","","","","6","I a -3 d","-I 4bd 2c 3","230","","","","- Al8 Ce0.24 Lu23.76 Mg16 O96 Si16 -","- Al8 Ce0.24 Lu23.76 Mg16 O96 Si16 -","- Al8 Ce0.24 Lu23.76 Mg16 O96 Si16 -","1","0.0104167","","Haipeng Ji; Le Wang; Maxim Molokeev; Naoto Hirosaki; Rong-Jun Xie; Zhaohui Huang; Zhiguo Xia; Otmar Melvin ten Kate; Lihong Liu; Victor V. Atuchin","Structure evolution and photoluminescence of Lu3(Al,Mg)2(Al,Si)3O12:Ce3+ phosphors: New yellow-color converter for blue LED-driven solid state lighting","Journal of Materials Chemistry C","2016","4","0","6855","6863","10.1039/c6tc00966b","powder diffraction","x-ray","1.5406","CuKα~1~~2~","","","","","","","","","1.59","1.917","","","","","","","has coordinates,has Fobs","205493","2020-10-21","18:00:00",""
"7226450","8.7785","0.0004","9.7547","0.0004","10.2957","0.0005","93.527","0.002","101.291","0.002","102.406","0.002","839.43","0.07","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C11 H16 N10 O8 -","- C11 H16 N10 O8 -","- C22 H32 N20 O16 -","2","1","","Packiaraj, S.; Pushpaveni, A.; Govindarajan, S.; Rawson, J. M.","Structural and anti-oxidant properties of guanidinium pyrazole-3,5-dicarboxylates","CrystEngComm","2016","18","41","7978","","10.1039/C6CE00290K","","","0.71073","MoKα","","0.0437","0.0373","","","0.1066","0.1137","","","","","","1.059","","","","has coordinates","188074","2020-10-21","18:00:00",""
"7226451","12.7602","0.0004","9.0277","0.0004","17.1544","0.0007","90","","95.503","0.003","90","","1967","0.13","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C6 H11 N5 O5 -","- C6 H11 N5 O5 -","- C48 H88 N40 O40 -","8","1","","Packiaraj, S.; Pushpaveni, A.; Govindarajan, S.; Rawson, J. M.","Structural and anti-oxidant properties of guanidinium pyrazole-3,5-dicarboxylates","CrystEngComm","2016","18","41","7978","","10.1039/C6CE00290K","","","0.71073","MoKα","","0.0392","0.0342","","","0.0955","0.0996","","","","","","1.033","","","","has coordinates","188074","2020-10-21","18:00:00",""
"7226452","7.7868","0.0014","10.0032","0.0018","10.6058","0.0019","72.744","0.006","70.282","0.006","75.842","0.006","733","0.2","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C7 H19.16 N8 O6.59 -","- C7 H16 N8 O6.5833 -","- C14 H32 N16 O13.1666 -","2","1","","Packiaraj, S.; Pushpaveni, A.; Govindarajan, S.; Rawson, J. M.","Structural and anti-oxidant properties of guanidinium pyrazole-3,5-dicarboxylates","CrystEngComm","2016","18","41","7978","","10.1039/C6CE00290K","","","0.71073","MoKα","","0.0559","0.0431","","","0.1234","0.1322","","","","","","1.055","","","","has coordinates,has disorder","188074","2020-10-21","18:00:00",""
"7226453","3.9966","0.0002","12.0312","0.0006","15.5723","0.0009","71.941","0.002","89.275","0.002","84.754","0.002","708.81","0.07","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C7 H18 N10 O5 -","- C7 H18 N10 O5 -","- C14 H36 N20 O10 -","2","1","","Packiaraj, S.; Pushpaveni, A.; Govindarajan, S.; Rawson, J. M.","Structural and anti-oxidant properties of guanidinium pyrazole-3,5-dicarboxylates","CrystEngComm","2016","18","41","7978","","10.1039/C6CE00290K","","","0.71073","MoKα","","0.0532","0.0413","","","0.1095","0.1196","","","","","","0.99","","","","has coordinates","211332","2020-10-21","18:00:00",""
"7226454","7.3538","0.0004","6.7","0.0004","24.9855","0.0015","90","","95.147","0.002","90","","1226.08","0.12","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","[BIM+][SA-]","benzimidazolium salicylate","","- C14 H12 N2 O3 -","- C14 H12 N2 O3 -","- C56 H48 N8 O12 -","4","1","","de Vries, Elise J. C.; Kantengwa, Sylvia; Ayamine, Alban; Báthori, Nikoletta B.","Testing the limits of synthon engineering: salts of salicylic and sulfosalicylic acid with nucleobases and derivatives","CrystEngComm","2016","18","39","7573","","10.1039/C6CE01534D","","","0.71073","MoKα","","0.0477","0.0392","","","0.1006","0.1072","","","","","","1.06","","","","has coordinates","188066","2020-10-21","18:00:00",""
"7226455","6.9999","0.0014","16.7","0.003","11.685","0.002","90","","101.81","0.03","90","","1337","0.5","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","[ADE+][SA-]H2O","Adeninium salicylate monohydrate","","- C12 H13 N5 O4 -","- C12 H13 N5 O4 -","- C48 H52 N20 O16 -","4","1","","de Vries, Elise J. C.; Kantengwa, Sylvia; Ayamine, Alban; Báthori, Nikoletta B.","Testing the limits of synthon engineering: salts of salicylic and sulfosalicylic acid with nucleobases and derivatives","CrystEngComm","2016","18","39","7573","","10.1039/C6CE01534D","","","0.71073","MoKα","","0.0865","0.0589","","","0.1418","0.1574","","","","","","1.018","","","","has coordinates","188066","2020-10-21","18:00:00",""
"7226456","9.6386","0.0019","8.5322","0.0017","13.91","0.003","90","","109.93","0.03","90","","1075.4","0.4","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","[CYT+][SA-]","Cytosinium salicylate","","- C11 H11 N3 O4 -","- C11 H11 N3 O4 -","- C44 H44 N12 O16 -","4","1","","de Vries, Elise J. C.; Kantengwa, Sylvia; Ayamine, Alban; Báthori, Nikoletta B.","Testing the limits of synthon engineering: salts of salicylic and sulfosalicylic acid with nucleobases and derivatives","CrystEngComm","2016","18","39","7573","","10.1039/C6CE01534D","","","0.71073","MoKα","","0.0441","0.0369","","","0.0995","0.1053","","","","","","1.048","","","","has coordinates","188066","2020-10-21","18:00:00",""
"7226457","9.909","0.002","9.817","0.002","22.872","0.005","90","","102.12","0.03","90","","2175.3","0.8","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","2[BIM+][SSA-2]H2O","Di-benzimidazolium sulfosalicylate monohydrate","","- C21 H20 N4 O7 S -","- C21 H20 N4 O7 S -","- C84 H80 N16 O28 S4 -","4","1","","de Vries, Elise J. C.; Kantengwa, Sylvia; Ayamine, Alban; Báthori, Nikoletta B.","Testing the limits of synthon engineering: salts of salicylic and sulfosalicylic acid with nucleobases and derivatives","CrystEngComm","2016","18","39","7573","","10.1039/C6CE01534D","","","0.71073","MoKα","","0.0478","0.039","","","0.1012","0.107","","","","","","1.053","","","","has coordinates","188066","2020-10-21","18:00:00",""
"7226458","6.7311","0.0013","10.314","0.002","10.743","0.002","85.32","0.03","85.11","0.03","86.41","0.03","739.5","0.2","173","2","173","2","","","","","","","","5","P -1","-P 1","2","[ADE+][SSA-]H2O","Adeninium sulfosalicylate monohydrate","","- C12 H13 N5 O7 S -","- C12 H13 N5 O7 S -","- C24 H26 N10 O14 S2 -","2","1","","de Vries, Elise J. C.; Kantengwa, Sylvia; Ayamine, Alban; Báthori, Nikoletta B.","Testing the limits of synthon engineering: salts of salicylic and sulfosalicylic acid with nucleobases and derivatives","CrystEngComm","2016","18","39","7573","","10.1039/C6CE01534D","","","0.71073","MoKα","","0.0556","0.0423","","","0.1018","0.1098","","","","","","1.035","","","","has coordinates","188066","2020-10-21","18:00:00",""
"7226459","7.2974","0.0015","8.4044","0.0017","15.47","0.003","77.82","0.03","83.19","0.03","88.82","0.03","920.9","0.3","173","2","173","2","","","","","","","","5","P -1","-P 1","2","[CYT+][SAA-][CYT]H2O","Cytosinium sulfosalicylate cytosine monohydrate","","- C15 H18 N6 O9 S -","- C15 H18 N6 O9 S -","- C30 H36 N12 O18 S2 -","2","1","","de Vries, Elise J. C.; Kantengwa, Sylvia; Ayamine, Alban; Báthori, Nikoletta B.","Testing the limits of synthon engineering: salts of salicylic and sulfosalicylic acid with nucleobases and derivatives","CrystEngComm","2016","18","39","7573","","10.1039/C6CE01534D","","","0.71073","MoKα","","0.0785","0.045","","","0.1088","0.1256","","","","","","1.007","","","","has coordinates","188066","2020-10-21","18:00:00",""
"7226460","6.9579","0.0014","9.6421","0.0019","14.749","0.003","101.51","0.03","101.98","0.03","98.62","0.03","929.4","0.4","173","2","173","2","","","","","","","","6","P -1","-P 1","2","[FCYT+][SAA-][FCYT]","Fluorocytosinium sulfosalicylate fluorocytosine","","- C15 H14 F2 N6 O8 S -","- C15 H14 F2 N6 O8 S -","- C30 H28 F4 N12 O16 S2 -","2","1","","de Vries, Elise J. C.; Kantengwa, Sylvia; Ayamine, Alban; Báthori, Nikoletta B.","Testing the limits of synthon engineering: salts of salicylic and sulfosalicylic acid with nucleobases and derivatives","CrystEngComm","2016","18","39","7573","","10.1039/C6CE01534D","","","0.71073","MoKα","","0.0552","0.0387","","","0.0952","0.1048","","","","","","1.037","","","","has coordinates","188066","2020-10-21","18:00:00",""
"7226461","16.1475","0.0014","12.516","0.0011","19.8687","0.0017","90","","93.321","0.001","90","","4008.8","0.6","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C23 H11 O11 Zn2 -","- C23 H11 O11 Zn2 -","- C92 H44 O44 Zn8 -","4","1","","Li, Ling; Li, Chang-Xia; Ren, Yan-Li; Song, Ming; Ma, Yue; Huang, Ru-Dan","Novel luminescent metal‒organic frameworks based on rigid carboxylate ligands for highly selective sensing of Fe3+ions","CrystEngComm","2016","18","40","7787","","10.1039/C6CE01514J","","","0.71073","MoKα","","0.0627","0.0444","","","0.1048","0.1097","","","","","","1.047","","","","has coordinates","188091","2020-10-21","18:00:00",""
"7226462","29.218","0.003","11.1912","0.0011","22.9833","0.0017","90","","90","","90","","7515.2","1.2","293","2","293","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C29 H23 Cd2 N2 O12 -","- C29 H23 Cd2 N2 O12 -","- C232 H184 Cd16 N16 O96 -","8","1","","Li, Ling; Li, Chang-Xia; Ren, Yan-Li; Song, Ming; Ma, Yue; Huang, Ru-Dan","Novel luminescent metal‒organic frameworks based on rigid carboxylate ligands for highly selective sensing of Fe3+ions","CrystEngComm","2016","18","40","7787","","10.1039/C6CE01514J","","","0.71073","MoKα","","0.106","0.0662","","","0.1895","0.2155","","","","","","1.023","","","","has coordinates,has disorder","188091","2020-10-21","18:00:00",""
"7226463","28.166","0.003","28.166","0.003","9.7199","0.0009","90","","90","","90","","7711","1.4","298","2","298","2","","","","","","","","5","I -4 2 d","I -4 2bw","122","","","","- C56 H50 N4 O24 Zn3 -","- C56 H50 N4 O24 Zn3 -","- C224 H200 N16 O96 Zn12 -","4","0.25","","Li, Ling; Li, Chang-Xia; Ren, Yan-Li; Song, Ming; Ma, Yue; Huang, Ru-Dan","Novel luminescent metal‒organic frameworks based on rigid carboxylate ligands for highly selective sensing of Fe3+ions","CrystEngComm","2016","18","40","7787","","10.1039/C6CE01514J","","","0.71073","MoKα","","0.069","0.062","","","0.1621","0.1664","","","","","","1.051","","","","has coordinates","188091","2020-10-21","18:00:00",""
"7226464","29.22","0.002","29.22","0.002","9.3882","0.0009","90","","90","","90","","8015.7","1.1","298","2","298","2","","","","","","","","5","I -4 2 d","I -4 2bw","122","","","","- C60 H64 Cd3 N6 O24 -","- C60 H64 Cd3 N6 O24 -","- C240 H256 Cd12 N24 O96 -","4","0.25","","Li, Ling; Li, Chang-Xia; Ren, Yan-Li; Song, Ming; Ma, Yue; Huang, Ru-Dan","Novel luminescent metal‒organic frameworks based on rigid carboxylate ligands for highly selective sensing of Fe3+ions","CrystEngComm","2016","18","40","7787","","10.1039/C6CE01514J","","","0.71073","MoKα","","0.069","0.0505","","","0.1257","0.1361","","","","","","1.018","","","","has coordinates,has disorder","188091","2020-10-21","18:00:00",""
"7226465","13.4384","0.0014","17.4194","0.0018","16.514","0.0017","90","","104.02","0.001","90","","3750.6","0.7","295","2","295","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C42 H32 Ag O4 P2 S -","- C42 H32 Ag O4 P2 S -","- C168 H128 Ag4 O16 P8 S4 -","4","1","","Zheng, Xiao-Feng; Li, Wen-Qiang; Du, Jun; Luo, Xian-Zhu; Liu, Miao-Miao; Yu, Yang; Tian, Lai-Jin","Diverse structural assemblies of silver‒thiophene-2,5-dicarboxylate coordination complexes contribute to different proton-conducting performances","CrystEngComm","2016","18","40","7814","","10.1039/C6CE01689H","","","0.71073","MoKα","","0.0438","0.0352","","","0.0821","0.0866","","","","","","1.052","","","","has coordinates","188094","2020-10-21","18:00:00",""
"7226466","10.372","0.0012","5.6131","0.0006","30.25","0.003","90","","97.097","0.001","90","","1747.6","0.3","295","2","295","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C16 H14 Ag2 N4 O4 S -","- C16 H14 Ag2 N4 O4 S -","- C64 H56 Ag8 N16 O16 S4 -","4","1","","Zheng, Xiao-Feng; Li, Wen-Qiang; Du, Jun; Luo, Xian-Zhu; Liu, Miao-Miao; Yu, Yang; Tian, Lai-Jin","Diverse structural assemblies of silver‒thiophene-2,5-dicarboxylate coordination complexes contribute to different proton-conducting performances","CrystEngComm","2016","18","40","7814","","10.1039/C6CE01689H","","","0.71073","MoKα","","0.0443","0.0403","","","0.0859","0.088","","","","","","1.028","","","","has coordinates","188094","2020-10-21","18:00:00",""
"7226467","11.962","0.0014","11.315","0.0013","36.656","0.004","90","","90","","90","","4961.4","1","295","2","295","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C18 H32 Ag2 N8 O7 S -","- C18 H32 Ag2 N8 O7 S -","- C144 H256 Ag16 N64 O56 S8 -","8","1","","Zheng, Xiao-Feng; Li, Wen-Qiang; Du, Jun; Luo, Xian-Zhu; Liu, Miao-Miao; Yu, Yang; Tian, Lai-Jin","Diverse structural assemblies of silver‒thiophene-2,5-dicarboxylate coordination complexes contribute to different proton-conducting performances","CrystEngComm","2016","18","40","7814","","10.1039/C6CE01689H","","","0.71073","MoKα","","0.0378","0.0334","","","0.0768","0.0787","","","","","","1.147","","","","has coordinates","188094","2020-10-21","18:00:00",""
"7226468","10.852","0.0003","14.2506","0.0006","19.6911","0.0008","96.202","0.003","103.112","0.003","94.223","0.003","2933.2","0.2","300","1","300","2","","","","","","","","5","P -1","-P 1","2","","","","- C25 H47 N3 O5 S -","- C25 H47 N3 O5 S -","- C100 H188 N12 O20 S4 -","4","2","","Blackholly, Laura R.; Shepherd, Helena J.; Hiscock, Jennifer R.","‘Frustrated’ hydrogen bond mediated amphiphile self-assembly ‒ a solid state study","CrystEngComm","2016","18","37","7021","","10.1039/C6CE01493C","","","1.54184","CuKα","","0.0789","0.0564","","","0.1675","0.1933","","","","","","1.031","","","","has coordinates,has disorder","187051","2020-10-21","18:00:00",""
"7226469","9.33311","0.00013","18.8139","0.0003","15.7107","0.0002","90","","90","","90","","2758.68","0.07","100","1","100","1","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C24 H47 N3 O5 S -","- C24 H47 N3 O5 S -","- C96 H188 N12 O20 S4 -","4","1","","Blackholly, Laura R.; Shepherd, Helena J.; Hiscock, Jennifer R.","‘Frustrated’ hydrogen bond mediated amphiphile self-assembly ‒ a solid state study","CrystEngComm","2016","18","37","7021","","10.1039/C6CE01493C","","x-ray","1.54184","CuKα","","0.0316","0.03","","","0.075","0.0764","","","","","","1.031","","","","has coordinates","187051","2020-10-21","18:00:00",""
"7226470","19.1853","0.0005","16.9662","0.0004","19.0342","0.0005","90","","109.85","0.003","90","","5827.5","0.3","100","1","100","1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C48 H90 N8 O13 S2 -","- C48 H90 N8 O13 S2 -","- C192 H360 N32 O52 S8 -","4","0.5","","Blackholly, Laura R.; Shepherd, Helena J.; Hiscock, Jennifer R.","‘Frustrated’ hydrogen bond mediated amphiphile self-assembly ‒ a solid state study","CrystEngComm","2016","18","37","7021","","10.1039/C6CE01493C","","x-ray","1.54184","CuKα","","0.086","0.0794","","","0.2289","0.2406","","","","","","1.034","","","","has coordinates,has disorder","187051","2020-10-21","18:00:00",""
"7226471","19.4863","0.0008","16.95","0.0006","19.0704","0.0005","90","","110.145","0.004","90","","5913.5","0.4","100","1","100","0.1","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C25 H45 F3 N3 O4.5 S -","- C25 H45 F3 N3 O4.5 S -","- C200 H360 F24 N24 O36 S8 -","8","1","","Blackholly, Laura R.; Shepherd, Helena J.; Hiscock, Jennifer R.","‘Frustrated’ hydrogen bond mediated amphiphile self-assembly ‒ a solid state study","CrystEngComm","2016","18","37","7021","","10.1039/C6CE01493C","","","1.54184","CuKα","","0.069","0.0602","","","0.1485","0.1558","","","","","","1.045","","","","has coordinates,has disorder","187051","2020-10-21","18:00:00",""
"7226472","12.3465","0.0007","13.2148","0.0009","20.8662","0.001","78.866","0.005","76.851","0.004","82.631","0.005","3240.1","0.3","100","1","100","1","","","","","","","","6","P -1","-P 1","2","","","","- C26 H48 F3 N3 O4 S2.5 -","- C52 H96 F6 N6 O8 S5 -","- C104 H192 F12 N12 O16 S10 -","2","1","","Blackholly, Laura R.; Shepherd, Helena J.; Hiscock, Jennifer R.","‘Frustrated’ hydrogen bond mediated amphiphile self-assembly ‒ a solid state study","CrystEngComm","2016","18","37","7021","","10.1039/C6CE01493C","","x-ray","1.54184","CuKα","","0.0819","0.0543","","","0.1208","0.1386","","","","","","1.034","","","","has coordinates,has disorder","187051","2020-10-21","18:00:00",""
"7226473","13.3272","0.0004","20.7771","0.0006","22.3152","0.0006","90","","92.086","0.003","90","","6175","0.3","100","1","100","1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C26 H43 F6 N3 O4 S -","- C26 H43 F6 N3 O4 S -","- C208 H344 F48 N24 O32 S8 -","8","2","","Blackholly, Laura R.; Shepherd, Helena J.; Hiscock, Jennifer R.","‘Frustrated’ hydrogen bond mediated amphiphile self-assembly ‒ a solid state study","CrystEngComm","2016","18","37","7021","","10.1039/C6CE01493C","","x-ray","1.54184","CuKα","","0.058","0.0446","","","0.1054","0.1148","","","","","","1.017","","","","has coordinates,has disorder","187051","2020-10-21","18:00:00",""
"7226474","12.1225","0.0005","13.1483","0.0004","21.4144","0.0011","74.424","0.004","87.1","0.004","84.476","0.003","3271.5","0.2","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C26 H43 F6 N3 O4 S2 -","- C26 H45 F6 N3 O4 S2 -","- C104 H180 F24 N12 O16 S8 -","4","2","","Blackholly, Laura R.; Shepherd, Helena J.; Hiscock, Jennifer R.","‘Frustrated’ hydrogen bond mediated amphiphile self-assembly ‒ a solid state study","CrystEngComm","2016","18","37","7021","","10.1039/C6CE01493C","","","1.54184","CuKα","","0.1342","0.111","","","0.3006","0.3293","","","","","","1.055","","","","has coordinates,has disorder","187051","2020-10-21","18:00:00",""
"7226475","4.8741","0.0003","6.3672","0.0004","40.456","0.003","90","","90","","90","","1255.53","0.14","100","1","100","1","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C9 H10 F3 N2 Na O5 S -","- C9 H10 F3 N2 Na O5 S -","- C36 H40 F12 N8 Na4 O20 S4 -","4","1","","Blackholly, Laura R.; Shepherd, Helena J.; Hiscock, Jennifer R.","‘Frustrated’ hydrogen bond mediated amphiphile self-assembly ‒ a solid state study","CrystEngComm","2016","18","37","7021","","10.1039/C6CE01493C","","x-ray","1.54184","CuKα","","0.0288","0.0279","","","0.0697","0.0701","","","","","","1.066","","","","has coordinates","187051","2020-10-21","18:00:00",""
"7226476","9.1526","0.0003","12.9487","0.0005","13.3592","0.0006","93.444","0.004","97.949","0.003","92.527","0.003","1563.01","0.11","100","1","100","1","","","","","","","","6","P -1","-P 1","2","","","","- C14 H14 F3 N3 O4 S -","- C14 H14 F3 N3 O4 S -","- C56 H56 F12 N12 O16 S4 -","4","2","","Blackholly, Laura R.; Shepherd, Helena J.; Hiscock, Jennifer R.","‘Frustrated’ hydrogen bond mediated amphiphile self-assembly ‒ a solid state study","CrystEngComm","2016","18","37","7021","","10.1039/C6CE01493C","","x-ray","1.54184","CuKα","","0.0441","0.0424","","","0.1103","0.1113","","","","","","1.128","","","","has coordinates","187051","2020-10-21","18:00:00",""
"7226477","13.5515","0.0011","3.9004","0.0003","20.9865","0.0016","90","","94.725","0.004","90","","1105.5","0.15","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C13 H13 N3 O -","- C13 H13 N3 O -","- C52 H52 N12 O4 -","4","1","","Sousa, Ana Catarina; Piedade, M. Fátima M. M.; Martins, Lígia O.; Robalo, M. Paula","Eco-friendly synthesis of indo dyes mediated by a bacterial laccase","Green Chem.","2016","18","22","6063","","10.1039/C6GC02050J","","","0.71073","MoKα","","0.0603","0.0399","","","0.1021","0.1106","","","","","","1.043","","","","has coordinates","190218","2020-10-21","18:00:00",""
"7226478","10.8078","0.0006","6.1587","0.0003","7.7148","0.0004","90","","104.196","0.005","90","","497.83","0.05","95","0.8","95","0.8","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Dichlorophosphanyl Isocyanate","","","- C Cl2 N O P -","- C Cl2 N O P -","- C4 Cl8 N4 O4 P4 -","4","1","","Li, Dingqing; Schwabedissen, Jan; Stammler, Hans-Georg; Mitzel, Norbert W.; Willner, Helge; Zeng, Xiaoqing","Dichlorophosphanyl isocyanate - spectroscopy, conformation and molecular structure in the gas phase and the solid state.","Physical chemistry chemical physics : PCCP","2016","18","37","26245","26253","10.1039/c6cp05377g","","","0.7107","MoKα","","0.0315","0.0286","","","0.0698","0.0717","","","","","","1.092","","","","has coordinates","187203","2020-10-21","18:00:00",""
"7226479","11.5762","0.0002","24.1976","0.0004","24.6149","0.0004","90","","90","","90","","6895","0.2","200","0.1","200","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C80 H72 Mn2 N6 O12 -","- C80 H72 Mn2 N6 O12 -","- C320 H288 Mn8 N24 O48 -","4","1","","Andruh, Marius; Dinca, Alina Simona; Candu, Natalia; Julve, Miguel; Lloret, Francesc; Sova, Sergiu; Parvulescu, Vasile i","A new chiral dimanganese(III) complex: synthesis, crystal structure, spectroscopic, magnetic, and catalytic properties","RSC Adv.","2016","","","","","10.1039/C6RA18989J","","","0.71073","MoKα","","0.0532","0.0429","","","0.094","0.0995","","","","","","1.037","","","","has coordinates,has disorder","186216","2020-10-21","18:00:00",""
"7226480","11.5575","0.0003","24.1622","0.0006","24.5872","0.0007","90","","90","","90","","6866.1","0.3","200","0.1","200","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C80 H72 Mn2 N6 O12 -","- C80 H72 Mn2 N6 O12 -","- C320 H288 Mn8 N24 O48 -","4","1","","Andruh, Marius; Dinca, Alina Simona; Candu, Natalia; Julve, Miguel; Lloret, Francesc; Sova, Sergiu; Parvulescu, Vasile i","A new chiral dimanganese(III) complex: synthesis, crystal structure, spectroscopic, magnetic, and catalytic properties","RSC Adv.","2016","","","","","10.1039/C6RA18989J","","","0.71073","MoKα","","0.092","0.0658","","","0.1335","0.1517","","","","","","1.026","","","","has coordinates,has disorder","186216","2020-10-21","18:00:00",""
"7226481","9.1004","0.0011","10.5785","0.0019","11.775","0.002","90","","90","","90","","1133.6","0.3","293","2","293","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C13 H12 N2 O -","- C13 H12 N2 O -","- C52 H48 N8 O4 -","4","1","","Singh, Anoop S.; Kumar, Dhananjay; Mishra, Nidhi; Tiwari, Vinod K.","An efficient one-pot synthesis of N,N′-disubstituted ureas and carbamates from N-acylbenzotriazoles","RSC Adv.","2016","6","87","84512","","10.1039/C6RA14131E","","","0.71073","MoKα","","0.0926","0.0481","","","0.0785","0.0991","","","","","","1.062","","","","has coordinates","287876","2023-11-30","07:26:55",""
"7226482","4.4436","0.0014","6.641","0.002","20.957","0.006","90","","90","","90","","618.4","0.3","273","2","273","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C7 H5 N O2 -","- C7 H5 N O2 -","- C28 H20 N4 O8 -","4","1","","Singh, Anoop S.; Kumar, Dhananjay; Mishra, Nidhi; Tiwari, Vinod K.","An efficient one-pot synthesis of N,N′-disubstituted ureas and carbamates from N-acylbenzotriazoles","RSC Adv.","2016","6","87","84512","","10.1039/C6RA14131E","","","0.71073","MoKα","","0.0431","0.0386","","","0.0941","0.0969","","","","","","1.061","","","","has coordinates","186217","2020-10-21","18:00:00",""
"7226483","17.9837","0.0003","13.1145","0.0002","32.7662","0.0006","90","","102.828","0.0019","90","","7534.9","0.2","150","0.1","150","0.1","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","phenyl beta-aminobisulfonate","","- C44 H72 Br K9 N4 O37 S8 -","- C44 H72 Br K9 N4 O37 S8 -","- C176 H288 Br4 K36 N16 O148 S32 -","4","1","","Cardona, Maria A.; Kveder, Marina; Baisch, Ulrich; Probert, Michael R.; Magri, David C.","Water-soluble β-aminobisulfonate building blocks for pH and Cu2+indicators","RSC Adv.","2016","6","88","84712","","10.1039/C6RA17791C","","x-ray","1.54184","CuKα","","0.1636","0.148","","","0.3662","0.3843","","","","","","1.536","","","","has coordinates,has disorder","186218","2020-10-21","18:00:00",""
"7226484","8.2498","0.0003","22.5592","0.0007","8.7439","0.0003","90","","90","","90","","1627.32","0.1","150.01","0.1","150.01","0.1","","","","","","","","6","P n m a","-P 2ac 2n","62","","phenyl beta-aminobisulfonate","","- C10 H17 K2 N O8 S2 -","- C10 H17 K2 N O8 S2 -","- C40 H68 K8 N4 O32 S8 -","4","0.5","","Cardona, Maria A.; Kveder, Marina; Baisch, Ulrich; Probert, Michael R.; Magri, David C.","Water-soluble β-aminobisulfonate building blocks for pH and Cu2+indicators","RSC Adv.","2016","6","88","84712","","10.1039/C6RA17791C","","x-ray","0.71073","MoKα","","0.0308","0.0242","","","0.0567","0.0606","","","","","","1.082","","","","has coordinates","186218","2020-10-21","18:00:00",""
"7226485","8.2673","0.0011","18.169","0.003","14.955","0.002","90","","91.962","0.013","90","","2245.1","0.6","295","2","295","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","4'-Hydroxy-3'-(4-methoxybenzoyl)-1'-phenyl-2H,4H-spiro-[furo[3,2-c]chromene-3,2'-pyrrole]-2,4,5'(1'H)-trione","","- C28 H17 N O8 -","- C28 H17 N O8 -","- C112 H68 N4 O32 -","4","1","","Dubovtsev, Alexey Yu.; Silaichev, Pavel S.; Nazarov, Mikhail A.; Dmitriev, Maksim V.; Maslivets, Andrey N.; Rubin, Michael","Spiro-condensation of 5-methoxycarbonyl-1H-pyrrole-2,3-diones with cyclic enoles to form spiro substituted furo[3,2-c]-coumarins and quinolines","RSC Adv.","2016","6","88","84730","","10.1039/C6RA16889B","","","0.71073","MoKα","","0.0658","0.048","","","0.1208","0.1333","","","","","","1.032","","","","has coordinates","186219","2020-10-21","18:00:00",""
"7226486","10.048","0.0016","10.5278","0.0012","13.317","0.0016","83.352","0.01","74.653","0.013","89.492","0.011","1349","0.3","295","2","295.15","","","","","","","","","4","P -1","-P 1","2","","3'-Benzoyl-4'-hydroxy-5-methyl-1'-(4-tolyl)-2H-spiro?[furo?[3,2-c]quinoline-3,2'-pyrrole]-2,4,5'(1'H,5H)-trione","","- C31 H23 N3 O6 -","- C31 H23 N3 O6 -","- C62 H46 N6 O12 -","2","1","","Dubovtsev, Alexey Yu.; Silaichev, Pavel S.; Nazarov, Mikhail A.; Dmitriev, Maksim V.; Maslivets, Andrey N.; Rubin, Michael","Spiro-condensation of 5-methoxycarbonyl-1H-pyrrole-2,3-diones with cyclic enoles to form spiro substituted furo[3,2-c]-coumarins and quinolines","RSC Adv.","2016","6","88","84730","","10.1039/C6RA16889B","","x-ray","0.71073","MoKα","","0.0729","0.0515","","","0.1284","0.1455","","","","","","1.035","","","","has coordinates,has disorder","186219","2020-10-21","18:00:00",""
"7226487","7.3977","0.0005","11.6656","0.0007","20.3981","0.0013","76.247","0.003","83.564","0.003","88.301","0.004","1699.07","0.19","130","2","130","2","","","","","","","","4","P -1","-P 1","2","CDME","","","- C22 H17 N O4 -","- C22 H17 N O4 -","- C88 H68 N4 O16 -","4","2","","Lifshits, Liubov M.; Budkina, Darya S.; Singh, Varun; Matveev, Sergey M.; Tarnovsky, Alexander N.; Klosterman, Jeremy K.","Solution-state photophysics of N-carbazolyl benzoate esters: dual emission and order of states in twisted push-pull chromophores.","Physical chemistry chemical physics : PCCP","2016","18","39","27671","27683","10.1039/c6cp04619c","","","1.54178","CuKα","","0.0645","0.0478","","","0.1004","0.109","","","","","","1.048","","","","has coordinates","188311","2020-10-21","18:00:00",""
"7226488","20.7631","0.0005","3.953","0.0001","18.9724","0.0004","90","","99.996","0.001","90","","1533.55","0.06","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","CME","CPB 2","","- C21 H17 N O2 -","- C21 H17 N O2 -","- C84 H68 N4 O8 -","4","1","","Lifshits, Liubov M.; Budkina, Darya S.; Singh, Varun; Matveev, Sergey M.; Tarnovsky, Alexander N.; Klosterman, Jeremy K.","Solution-state photophysics of N-carbazolyl benzoate esters: dual emission and order of states in twisted push-pull chromophores.","Physical chemistry chemical physics : PCCP","2016","18","39","27671","27683","10.1039/c6cp04619c","","","1.54178","CuKα","","0.0548","0.0423","","","0.0934","0.0995","","","","","","1.062","","","","has coordinates","188311","2020-10-21","18:00:00",""
"7226489","10.1492","0.0006","17.5386","0.0011","7.7817","0.0005","90","","105.257","0.002","90","","1336.34","0.14","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H10 Br N3 O3 -","- C14 Br N3 O3 -","- C56 Br4 N12 O12 -","4","1","","Yang, Chao; Cheng, Guanyun; Huang, Baofu; Xue, Fengtian; Jiang, Chao","Metal-free regioselective construction of indolin-3-ones via hypervalent iodine oxidation of N-substituted indoles","RSC Adv.","2016","","","","","10.1039/C6RA19741H","","","0.71073","MoKα","","0.0444","0.0401","","","0.1496","0.1557","","","","","","1.293","","","","has coordinates","206489","2020-10-21","18:00:00",""
"7226490","24.9088","0.0007","7.7954","0.00017","22.8886","0.0006","90","","103.302","0.003","90","","4325.1","0.2","173","0.1","173","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C185 H183.72 N15 O39 -","- C185 H183.724 N15 O39 -","- C185 H183.724 N15 O39 -","1","0.25","","Liang, Lijuan; Zhao, Liancheng; Zeng, Xianshun","Synthesis, optical, and chemical properties of a π-extended rhodol derivative and its derivatives with selectivity and sensitivity for sensing Hg2+in aqueous media","RSC Adv.","2016","6","88","85165","","10.1039/C6RA17024B","","x-ray","1.54184","CuKα","","0.1004","0.0874","","","0.2535","0.2728","","","","","","1.037","","","","has coordinates,has disorder","186278","2020-10-21","18:00:00",""
"7226491","7.3322","0.0002","7.7451","0.0002","12.5621","0.0003","91.438","0.0006","90.042","0.0007","96.986","0.0007","707.86","0.03","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C15 H10 Br N O2 S -","- C15 H10 Br N O2 S -","- C30 H20 Br2 N2 O4 S2 -","2","1","","Salunke-Gawali, Sunita; Agarwal, Gunjan; Lande, Deepali N.; Chakravarty, Debamitra; Gejji, Shridhar P.; Patil, Amit Shrinivas; Gosavi, Prajkta","Bromine substituted aminonaphthoquinones: Synthesis, Characterization, DFT and metal ion binding studies†","RSC Adv.","2016","","","","","10.1039/C6RA20970J","","","0.71073","MoKα","","0.1027","0.0592","","","0.0907","0.0938","","","","","","2.305","","","","has coordinates","186279","2020-10-21","18:00:00",""
"7226492","25.2419","0.0004","4.4686","0.0001","27.7323","0.0004","90","","108.09","0.0008","90","","2973.47","0.09","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C17 H13 Br N2 O2 -","- C17 H13 Br N2 O2 -","- C136 H104 Br8 N16 O16 -","8","1","","Salunke-Gawali, Sunita; Agarwal, Gunjan; Lande, Deepali N.; Chakravarty, Debamitra; Gejji, Shridhar P.; Patil, Amit Shrinivas; Gosavi, Prajkta","Bromine substituted aminonaphthoquinones: Synthesis, Characterization, DFT and metal ion binding studies†","RSC Adv.","2016","","","","","10.1039/C6RA20970J","","","0.71073","MoKα","","0.0768","0.0524","","","0.0846","0.0886","","","","","","1.651","","","","has coordinates","186279","2020-10-21","18:00:00",""
"7226493","12.9287","0.0002","7.7026","0.0001","14.6188","0.0002","90","0.0006","109.18","0.0005","90","0.0006","1375","0.03","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H11 Br N2 O2 -","- C16 H11 Br N2 O2 -","- C64 H44 Br4 N8 O8 -","4","1","","Salunke-Gawali, Sunita; Agarwal, Gunjan; Lande, Deepali N.; Chakravarty, Debamitra; Gejji, Shridhar P.; Patil, Amit Shrinivas; Gosavi, Prajkta","Bromine substituted aminonaphthoquinones: Synthesis, Characterization, DFT and metal ion binding studies†","RSC Adv.","2016","","","","","10.1039/C6RA20970J","","","0.71073","MoKα","","0.0468","0.0419","","","0.1073","0.1108","","","","","","1.075","","","","has coordinates","186279","2020-10-21","18:00:00",""
"7226494","4.8997","0.0003","14.5291","0.0008","19.5248","0.001","90","","96.879","0.002","90","","1379.93","0.13","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C16 H11 Br N2 O2 -","- C16 H11 Br N2 O2 -","- C64 H44 Br4 N8 O8 -","4","1","","Salunke-Gawali, Sunita; Agarwal, Gunjan; Lande, Deepali N.; Chakravarty, Debamitra; Gejji, Shridhar P.; Patil, Amit Shrinivas; Gosavi, Prajkta","Bromine substituted aminonaphthoquinones: Synthesis, Characterization, DFT and metal ion binding studies†","RSC Adv.","2016","","","","","10.1039/C6RA20970J","","","1.54178","CuKα","","0.1219","0.1018","","","0.2511","0.276","","","","","","1.089","","","","has coordinates","186279","2020-10-21","18:00:00",""
"7226495","23.3217","0.0011","4.4264","0.0002","14.6193","0.0007","90","","91.381","0.003","90","","1508.73","0.12","296","2","296","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C16 H12 Br N O2 S -","- C16 H12 Br N O2 S -","- C64 H48 Br4 N4 O8 S4 -","4","1","","Salunke-Gawali, Sunita; Agarwal, Gunjan; Lande, Deepali N.; Chakravarty, Debamitra; Gejji, Shridhar P.; Patil, Amit Shrinivas; Gosavi, Prajkta","Bromine substituted aminonaphthoquinones: Synthesis, Characterization, DFT and metal ion binding studies†","RSC Adv.","2016","","","","","10.1039/C6RA20970J","","","1.54178","CuKα","","0.0889","0.0665","","","0.2109","0.2459","","","","","","0.94","","","","has coordinates","186279","2020-10-21","18:00:00",""
"7226496","6.5579","0.0007","7.6349","0.0006","15.6331","0.0014","84.549","0.007","86.322","0.008","78.859","0.008","763.67","0.12","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C11 H8 Cl4 O3 -","- C11 H8 Cl4 O3 -","- C22 H16 Cl8 O6 -","2","1","","Zeng, Xianghua; Gong, Chunhua; Zhang, Junyong; Xie, Jingli","A simple and highly diasteroselective approach for the vicinal dichlorination of functional olefins","RSC Adv.","2016","6","88","85182","","10.1039/C6RA20101F","","","0.71","MoKα","","0.3172","0.3061","","","0.7294","0.7473","","","","","","1.065","","","","has coordinates","186280","2020-10-21","18:00:00",""
"7226497","7.1786","0.0003","20.0394","0.0012","20.1954","0.0008","90","","90","","90","","2905.2","0.2","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C15 H12 Cl2 O3 -","- C15 H12 Cl2 O3 -","- C120 H96 Cl16 O24 -","8","1","","Zeng, Xianghua; Gong, Chunhua; Zhang, Junyong; Xie, Jingli","A simple and highly diasteroselective approach for the vicinal dichlorination of functional olefins","RSC Adv.","2016","6","88","85182","","10.1039/C6RA20101F","","","1.54184","CuKα","","0.1305","0.124","","","0.3392","0.3637","","","","","","1.083","","","","has coordinates","186280","2020-10-21","18:00:00",""
"7226498","10.249","0.0006","7.6979","0.0004","19.7126","0.0011","90","","95.778","0.006","90","","1547.34","0.15","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C29 H48 Cl2 O2 -","- C29 H48 Cl2 O2 -","- C58 H96 Cl4 O4 -","2","1","","Zeng, Xianghua; Gong, Chunhua; Zhang, Junyong; Xie, Jingli","A simple and highly diasteroselective approach for the vicinal dichlorination of functional olefins","RSC Adv.","2016","6","88","85182","","10.1039/C6RA20101F","","","1.54184","CuKα","","0.0654","0.0587","","","0.1551","0.1649","","","","","","1.046","","","","has coordinates","186280","2020-10-21","18:00:00",""
"7226499","11.196","0.0007","13.4174","0.0009","16.1522","0.001","70.32","0.001","70.03","0.001","86.337","0.001","2143.7","0.2","150","2","150","2","","","","","","","","5","P -1","-P 1","2","1","","","- C24 H32 N10 O34 Pr2 -","- C24 H36 N10 O34 Pr2 -","- C48 H72 N20 O68 Pr4 -","2","1","","Hu, Yue-Qiao; Li, Mu-Qing; Li, Teng; Wang, Yan-Yan; Zheng, Zhiping; Zheng, Yan-Zhen","An alkali-ion insertion approach to structurally transform metal‒organic frameworks","CrystEngComm","2016","18","40","7680","","10.1039/C6CE00540C","","","0.71073","MoKα","","0.0228","0.019","","","0.0469","0.05","","","","","","1.04","","","","has coordinates","188092","2020-10-21","18:00:00",""
"7226500","15.0627","0.001","16.6949","0.0011","18.0047","0.0012","115.295","0.001","101.985","0.001","90.845","0.001","3976.8","0.5","150","2","150","2","","","","","","","","7","P -1","-P 1","2","2","","","- C55 H45 Cu7 I7 N13 O22.5 Pr3 -","- C55 H45 Cu7 I7 N13 O22.5 Pr3 -","- C110 H90 Cu14 I14 N26 O45 Pr6 -","2","1","","Hu, Yue-Qiao; Li, Mu-Qing; Li, Teng; Wang, Yan-Yan; Zheng, Zhiping; Zheng, Yan-Zhen","An alkali-ion insertion approach to structurally transform metal‒organic frameworks","CrystEngComm","2016","18","40","7680","","10.1039/C6CE00540C","","","0.71073","MoKα","","0.024","0.0197","","","0.043","0.0444","","","","","","1.011","","","","has coordinates","188092","2020-10-21","18:00:00",""
"7226501","15.289","0.006","8.168","0.003","28.995","0.011","90","","100.646","0.005","90","","3559","2","150","2","150","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","3","","","- C42 H39 Cu8 I8 N9 O16.5 Pr2 -","- C44 H32 Cu8 I8 N10 O17 Pr2 -","- C88 H64 Cu16 I16 N20 O34 Pr4 -","2","0.5","","Hu, Yue-Qiao; Li, Mu-Qing; Li, Teng; Wang, Yan-Yan; Zheng, Zhiping; Zheng, Yan-Zhen","An alkali-ion insertion approach to structurally transform metal‒organic frameworks","CrystEngComm","2016","18","40","7680","","10.1039/C6CE00540C","","","0.71073","MoKα","","0.0435","0.0367","","","0.0931","0.0972","","","","","","1.041","","","","has coordinates","188092","2020-10-21","18:00:00",""
"7226502","15.095","0.0004","25.0532","0.0008","29.7588","0.0008","90","","107.936","0.001","90","","10707.2","0.5","150","2","150","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","4-Pr","","","- C69 H70 Cu12 I12 N14 O23 Pr3 -","- C69 H70 Cu12 I12 N14 O23 Pr3 -","- C276 H280 Cu48 I48 N56 O92 Pr12 -","4","1","","Hu, Yue-Qiao; Li, Mu-Qing; Li, Teng; Wang, Yan-Yan; Zheng, Zhiping; Zheng, Yan-Zhen","An alkali-ion insertion approach to structurally transform metal‒organic frameworks","CrystEngComm","2016","18","40","7680","","10.1039/C6CE00540C","","","0.71073","MoKα","","0.0364","0.0318","","","0.0731","0.0752","","","","","","1.046","","","","has coordinates","188092","2020-10-21","18:00:00",""
"7226503","17.8961","0.0019","31.932","0.003","25.078","0.003","90","","90","","90","","14331","3","150","2","150","2","","","","","","","","8","C 2 2 21","C 2c 2","20","2-Pr","","","- C48 H40 Cu8 I8 N8 Na2 O25 Pr2 -","- C48 H40 Cu8 I8 N8 Na2 O25 Pr2 -","- C192 H160 Cu32 I32 N32 Na8 O100 Pr8 -","4","0.5","","Hu, Yue-Qiao; Li, Mu-Qing; Li, Teng; Wang, Yan-Yan; Zheng, Zhiping; Zheng, Yan-Zhen","An alkali-ion insertion approach to structurally transform metal‒organic frameworks","CrystEngComm","2016","18","40","7680","","10.1039/C6CE00540C","","","0.71073","MoKα","","0.106","0.0862","","","0.2128","0.229","","","","","","1.06","","","","has coordinates","188092","2020-10-21","18:00:00",""
"7226504","30.332","0.004","46.354","0.006","18.13","0.003","90","","116.729","0.002","90","","22767","6","150","2","150","2","","","","","","","","8","C 1 2/m 1","-C 2y","12","6","","","- C58.6 H40 Cu12 I12 K N10 O30.4 Pr3 -","- C58.6 H40 Cu12 I12 K N10 O30.4 Pr3 -","- C234.4 H160 Cu48 I48 K4 N40 O121.6 Pr12 -","4","0.5","","Hu, Yue-Qiao; Li, Mu-Qing; Li, Teng; Wang, Yan-Yan; Zheng, Zhiping; Zheng, Yan-Zhen","An alkali-ion insertion approach to structurally transform metal‒organic frameworks","CrystEngComm","2016","18","40","7680","","10.1039/C6CE00540C","","","0.71073","MoKα","","0.223","0.1302","","","0.3437","0.4407","","","","","","1.08","","","","has coordinates","188092","2020-10-21","18:00:00",""
"7226505","42.221","0.005","30.379","0.004","27.178","0.003","90","","90","","90","","34859","7","293","2","293","2","","","","","","","","8","P b c n","-P 2n 2ab","60","7","","","- C51 H32 Cs0 Cu8 I8 N10 O31 Pr4 -","- C51 H39 Cu8 I8 N10 O31 Pr4 -","- C408 H312 Cu64 I64 N80 O248 Pr32 -","8","1","","Hu, Yue-Qiao; Li, Mu-Qing; Li, Teng; Wang, Yan-Yan; Zheng, Zhiping; Zheng, Yan-Zhen","An alkali-ion insertion approach to structurally transform metal‒organic frameworks","CrystEngComm","2016","18","40","7680","","10.1039/C6CE00540C","","","0.71073","MoKα","","0.1046","0.0639","","","0.1834","0.2025","","","","","","1.041","","","","has coordinates","188092","2020-10-21","18:00:00",""
"7226506","5.0952","0.001","13.021","0.003","6.8264","0.0014","90","","105.26","0.03","90","","436.93","0.17","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C H2 Hg N5 -","- C H2 Hg N5 -","- C4 H8 Hg4 N20 -","4","1","","Liu, Dong-Sheng; Chen, Wen-Tong; Huang, Jian-Gen; Cheng, Xiao-Di; Wang, Jie; Sui, Yan","Syntheses, structures and investigation of the properties of mercury coordination polymers based on 5-amino-tetrazolate ligands","CrystEngComm","2016","18","40","7865","","10.1039/C6CE01790H","","","0.71073","MoKα","","0.0618","0.0594","","","0.1491","0.1528","","","","","","1.087","","","","has coordinates","188097","2020-10-21","18:00:00",""
"7226507","8.1233","0.0013","6.9274","0.0011","8.7456","0.0014","90","","93.122","0.002","90","","491.41","0.14","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C H2 Cl Hg N5 -","- C H2 Cl Hg N5 -","- C4 H8 Cl4 Hg4 N20 -","4","1","","Liu, Dong-Sheng; Chen, Wen-Tong; Huang, Jian-Gen; Cheng, Xiao-Di; Wang, Jie; Sui, Yan","Syntheses, structures and investigation of the properties of mercury coordination polymers based on 5-amino-tetrazolate ligands","CrystEngComm","2016","18","40","7865","","10.1039/C6CE01790H","","","0.71073","MoKα","","0.0259","0.0249","","","0.065","0.0658","","","","","","1.055","","","","has coordinates","188097","2020-10-21","18:00:00",""
"7226508","5.8459","0.0013","6.9731","0.0015","6.1725","0.0013","90","","94.27","0.002","90","","250.92","0.09","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C H2 Cl Hg N5 -","- C H2 Cl Hg N5 -","- C2 H4 Cl2 Hg2 N10 -","2","1","","Liu, Dong-Sheng; Chen, Wen-Tong; Huang, Jian-Gen; Cheng, Xiao-Di; Wang, Jie; Sui, Yan","Syntheses, structures and investigation of the properties of mercury coordination polymers based on 5-amino-tetrazolate ligands","CrystEngComm","2016","18","40","7865","","10.1039/C6CE01790H","","","0.71073","MoKα","","0.0604","0.054","","","0.1323","0.1405","","","","","","1.131","","","","has coordinates","188097","2020-10-21","18:00:00",""
"7226509","7.2488","0.001","6.2654","0.0008","10.1326","0.0013","90","","90","","90","","460.19","0.1","296","2","296","2","","","","","","","","5","P m m a","-P 2a 2a","51","","","","- C7 H6 Hg N6 O2 -","- C7 H6 Hg N6 O2 -","- C14 H12 Hg2 N12 O4 -","2","0.25","","Liu, Dong-Sheng; Chen, Wen-Tong; Huang, Jian-Gen; Cheng, Xiao-Di; Wang, Jie; Sui, Yan","Syntheses, structures and investigation of the properties of mercury coordination polymers based on 5-amino-tetrazolate ligands","CrystEngComm","2016","18","40","7865","","10.1039/C6CE01790H","","","0.71073","MoKα","","0.0432","0.0431","","","0.1065","0.1067","","","","","","1.001","","","","has coordinates","188097","2020-10-21","18:00:00",""
"7226510","8.5999","0.0014","11.7125","0.0015","11.9133","0.0017","87.194","0.006","70.275","0.006","77.739","0.005","1103.5","0.3","293","2","293","2","","","","","","","","4","P -1","-P 1","2","Mustafa_091115","","","- C26 H20 N6 O2 -","- C26 H20 N6 O2 -","- C52 H40 N12 O4 -","2","1","","Mostafa, Mostafa S.; Elnagdi, Mohamed H.; Al-Mousawi, Saleh","Use of a novel multicomponent reaction under high pressure for the efficient construction of the new pyridazino[5,4,3-de][1,6]naphthyridine tricyclic system","RSC Adv.","2016","","","","","10.1039/C6RA19535K","","","0.71075","MoKα","","0.1544","0.058","","","0.1223","0.1644","","","","","","0.954","","","","has coordinates,has disorder","186316","2020-10-21","18:00:00",""
"7226511","13.79","0.06","7.03","0.03","29.43","0.11","90","","90","","90","","2853","2","293","","293","","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C16 H10 N6 O -","- C16 H10 N6 O -","- C128 H80 N48 O8 -","8","1","","Mostafa, Mostafa S.; Elnagdi, Mohamed H.; Al-Mousawi, Saleh","Use of a novel multicomponent reaction under high pressure for the efficient construction of the new pyridazino[5,4,3-de][1,6]naphthyridine tricyclic system","RSC Adv.","2016","","","","","10.1039/C6RA19535K","","","0.71075","MoKα","","","0.0794","","","","0.2455","","","","","","0.974","","","","has coordinates","186316","2020-10-21","18:00:00",""
"7226512","7.038","0.006","11.242","0.009","13.208","0.011","69.924","0.012","75.476","0.018","82.35","0.02","948.9","1.4","150","","150","","","","","","","","","4","P -1","-P 1","2","","","","- C21 H20 N6 O2 -","- C21 H20 N6 O2 -","- C42 H40 N12 O4 -","2","1","","Mostafa, Mostafa S.; Elnagdi, Mohamed H.; Al-Mousawi, Saleh","Use of a novel multicomponent reaction under high pressure for the efficient construction of the new pyridazino[5,4,3-de][1,6]naphthyridine tricyclic system","RSC Adv.","2016","","","","","10.1039/C6RA19535K","","","0.71075","MoKα","","","0.0544","","","","0.1543","","","","","","0.933","","","","has coordinates","186316","2020-10-21","18:00:00",""
"7226513","7.6611","0.0004","7.7237","0.0004","17.5068","0.001","79.714","0.003","83.229","0.003","61.736","0.003","897.08","0.09","295","","295","","","","","","","","","5","P -1","-P 1","2","","Diaqua-bis(ethylenediamine)-copper(ii)bis(mefenamate)","","- C34 H48 Cu N6 O6 -","- C34 H48 Cu N6 O6 -","- C34 H48 Cu N6 O6 -","1","0.5","","Sharma, Raj Pal; Kumar, Santosh; Venugopalan, P.; Ferretti, Valeria; Tarushi, Alketa; Psomas, George L.; Witwicki, Maciej","New copper(II) complexes of anti-inflammatory drug mefenamic acid: a concerted study including synthesis, physicochemical characterization and their biological evaluation","RSC Adv.","2016","","","","","10.1039/C6RA14706B","","","0.71073","MoKα","","0.0618","0.0432","","","0.1061","0.1137","","","","","","1.08","","","","has coordinates","186317","2020-10-21","18:00:00",""
"7226514","11.2953","0.0005","11.3767","0.0006","16.1337","0.0007","93.629","0.003","99.882","0.003","108.993","0.003","1915.41","0.16","295","","295","","","","","","","","","5","P -1","-P 1","2","","","","- C84 H88 Cu2 N8 O10 -","- C84 H88 Cu2 N8 O10 -","- C84 H88 Cu2 N8 O10 -","1","0.5","","Sharma, Raj Pal; Kumar, Santosh; Venugopalan, P.; Ferretti, Valeria; Tarushi, Alketa; Psomas, George L.; Witwicki, Maciej","New copper(II) complexes of anti-inflammatory drug mefenamic acid: a concerted study including synthesis, physicochemical characterization and their biological evaluation","RSC Adv.","2016","","","","","10.1039/C6RA14706B","","","0.71073","MoKα","","0.151","0.0672","","","0.166","0.2003","","","","","","1.049","","","","has coordinates","186317","2020-10-21","18:00:00",""
"7226515","9.7835","0.0006","10.265","0.0006","14.8005","0.0009","91.427","0.001","107.718","0.001","91.263","0.001","1414.75","0.15","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C8 H20 La4 Mo4 O28 -","- C8 H20 La4 Mo4 O28 -","- C16 H40 La8 Mo8 O56 -","2","1","","Li, Yang-Guang; sun, meng; Ma, Yuan-Yuan; Tan, Hua-Qiao; Yan, Jian; Zang, Hongying; Shi, Hongfei; Wang, Yong-Hui","Lanthanum Molybdenum Oxide as a New Platform for Highly Selective Adsorption and Fast Separation of Organic Dyes","RSC Adv.","2016","","","","","10.1039/C6RA14179J","","","0.71073","MoKα","","0.06","0.0308","","","0.0704","0.0827","","","","","","0.989","","","","has coordinates","186318","2020-10-21","18:00:00",""
"7226516","15.7341","0.0018","19.19","0.002","8.3925","0.001","90","","90","","90","","2534","0.5","296","2","296","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C27 H18 N2 O7 Zn -","- C27 H18 N2 O7 Zn -","- C108 H72 N8 O28 Zn4 -","4","1","","Liu, Bo; Zhou, Hui-Fang; Guan, Zheng-Hui; Hou, Lei; Cui, Bin; Wang, Yao-Yu","Cleavage of a C‒C σ bond between two phenyl groups under mild conditions during the construction of Zn(ii) organic frameworks","Green Chem.","2016","18","20","5418","","10.1039/C6GC01686C","","","0.71073","MoKα","","0.1014","0.0702","","","0.1932","0.2214","","","","","","1.079","","","","has coordinates","188252","2020-10-21","18:00:00",""
"7226517","10.8088","0.0015","10.8088","0.0015","16.283","0.005","90","","90","","90","","1902.3","0.7","123","2","123","2","","","","","","","","5","P 4/m m m","-P 4 2","123","","","","- C28 H18 N2 O8 Zn2 -","- C28 H18 N2 O8 Zn2 -","- C28 H18 N2 O8 Zn2 -","1","0.0625","","Liu, Bo; Zhou, Hui-Fang; Guan, Zheng-Hui; Hou, Lei; Cui, Bin; Wang, Yao-Yu","Cleavage of a C‒C σ bond between two phenyl groups under mild conditions during the construction of Zn(ii) organic frameworks","Green Chem.","2016","18","20","5418","","10.1039/C6GC01686C","","","0.71073","MoKα","","0.0968","0.0863","","","0.2481","0.2583","","","","","","1.145","","","","has coordinates,has disorder","188252","2020-10-21","18:00:00",""
"7226518","10.661","0.002","11.234","0.002","25.712","0.005","90","","90","","90","","3079.4","1","110.15","","110.15","","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C18 H14 B F2 N O S -","- C18 H14 B F2 N O S -","- C144 H112 B8 F16 N8 O8 S8 -","8","1","","Shanmugapriya, Jayabalan; Rajaguru, Kandasamy; Sivaraman, Gandhi; Muthusubramanian, Shanmugam; Bhuvanesh, Nattamai","Boranil dye based “turn-on” fluorescent probes for detection of hydrogen peroxide and their cell imaging application","RSC Adv.","2016","6","89","85838","","10.1039/C6RA17863D","","","0.71073","MoKα","","0.0675","0.0458","","","0.0822","0.0915","","","","","","1.06","","","","has coordinates","186504","2020-10-21","18:00:00",""
"7226519","21.2631","0.0007","14.0448","0.0004","16.208","0.0009","90","","129.299","0.001","90","","3745.7","0.3","110.15","","110.15","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C23 H18 N4 O -","- C23 H18 N4 O -","- C184 H144 N32 O8 -","8","1","","Shanmugapriya, Jayabalan; Rajaguru, Kandasamy; Sivaraman, Gandhi; Muthusubramanian, Shanmugam; Bhuvanesh, Nattamai","Boranil dye based “turn-on” fluorescent probes for detection of hydrogen peroxide and their cell imaging application","RSC Adv.","2016","6","89","85838","","10.1039/C6RA17863D","","","1.54178","CuKα","","0.0353","0.0341","","","0.0878","0.0889","","","","","","1.063","","","","has coordinates","186504","2020-10-21","18:00:00",""
"7226520","6.27813","0.00014","10.3446","0.0002","27.8319","0.0006","90","","90","","90","","1807.54","0.07","173","0.1","173","0.1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C83 H110 O20 -","- C83 H110 O20 -","- C83 H110 O20 -","1","0.25","","Song, Jia-Ling; Yuan, Yao; Tan, Hai-Bo; Wu, Jie-Wei; Huang, Ri-Ming; Li, Heng; Xu, Zhi-Fang; Na, Ning; Qiu, Sheng-Xiang","Euryachins A and B, a new type of diterpenoids from Eurya chinensis with potent NO production inhibitory activity","RSC Adv.","2016","6","89","85958","","10.1039/C6RA11994H","","x-ray","1.54184","CuKα","","0.0369","0.0365","","","0.0984","0.0987","","","","","","1.093","","","","has coordinates,has disorder","186505","2020-10-21","18:00:00",""
"7226521","29.269","0.004","38.689","0.005","6.4704","0.0009","90","","90","","90","","7327","1.7","100","0.5","100","0.5","","","","","","","","7","F d d 2","F 2 -2d","43","utksc01","","","- C14 H17 Cl2 Fe I N2 O3 -","- C14 H17 Cl2 Fe I N2 O3 -","- C224 H272 Cl32 Fe16 I16 N32 O48 -","16","1","","Das, Parthapratim; Elder, Thomas J.; Brennessel, William W.; Chmely, Stephen C.","Iron piano-stool complexes containing NHC ligands outfitted with pendent arms: synthesis, characterization, and screening for catalytic transfer hydrogenation","RSC Adv.","2016","","","","","10.1039/C6RA20764B","","","0.71073","MoKα","","0.0362","0.0317","","","0.0799","0.0817","","","","","","1.063","","","","has coordinates","186506","2020-10-21","18:00:00",""
"7226522","10.8596","0.0011","8.8254","0.0009","23.959","0.003","90","","101.211","0.002","90","","2252.4","0.4","100","0.5","100","0.5","","","","","","","","5","P 1 21/n 1","-P 2yn","14","utksc03","","","- C25 H30 Fe N2 O3 -","- C25 H30 Fe N2 O3 -","- C100 H120 Fe4 N8 O12 -","4","1","","Das, Parthapratim; Elder, Thomas J.; Brennessel, William W.; Chmely, Stephen C.","Iron piano-stool complexes containing NHC ligands outfitted with pendent arms: synthesis, characterization, and screening for catalytic transfer hydrogenation","RSC Adv.","2016","","","","","10.1039/C6RA20764B","","","0.71073","MoKα","","0.0656","0.0438","","","0.1041","0.1133","","","","","","1.045","","","","has coordinates","186506","2020-10-21","18:00:00",""
"7226523","11.6943","0.0005","5.11536","0.00016","36.4078","0.0014","90","","94.254","0.004","90","","2171.93","0.14","293","","293","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C27 H23 Cl O5 -","- C27 H23 Cl O5 -","- C108 H92 Cl4 O20 -","4","1","","Bai, Yue-Feng; Chen, Li-Qin; Xiang, Shi-Kai; Zhang, Kan; Li, Qiang-Gen; Feng, chun; Hu, Ping; Wang, Bi-Qin; Zhao, Keqing","Synthesis, structure and properties of polysubstituted benzo[g]chrysene by FeCl3-promoted from diphenylacetypene and phenylacetaldehyde derivatives","RSC Adv.","2016","","","","","10.1039/C6RA17701H","","x-ray","1.54184","CuKα","","0.0758","0.0576","","","0.1554","0.1746","","","","","","1.037","","","","has coordinates","186507","2020-10-21","18:00:00",""
"7226524","20.3555","0.0004","16.0201","0.0003","15.054","0.0003","90","","131.898","0.002","90","","3653.99","0.17","293","2","293","2","","","","","","","","5","C 1 c 1","C -2yc","9","","compound 1","","- C26 H22 Ag4 I6 N4 -","- C26 H22 Ag4 I6 N4 -","- C104 H88 Ag16 I24 N16 -","4","1","","Hao, Pengfei; Qiao, Yanrong; yu, tanlai; shen, junju; Dai, Dongting; fu, yunlong","Spontaneous Chiral Resolution and Hierarchical Directing Effects of Two-winged Propeller-like SDAs on the Construction of Noncentrosymmetric Iodoargentates/Iodocuprates","RSC Adv.","2016","","","","","10.1039/C6RA15159K","","","1.54178","CuKα","","0.093","0.0892","","","0.219","0.2271","","","","","","1.032","","","","has coordinates","186508","2020-10-21","18:00:00",""
"7226525","8.7403","0.0003","10.9631","0.0004","13.0161","0.0005","90","","106.319","0.004","90","","1196.97","0.08","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","[BCP][CuI2CuIII5]?2H2O","compound 2","","- C13 H15 Cu3 I5 N2 O2 -","- C13 H11 Cu3 I5 N2 O2 -","- C26 H22 Cu6 I10 N4 O4 -","2","1","","Hao, Pengfei; Qiao, Yanrong; yu, tanlai; shen, junju; Dai, Dongting; fu, yunlong","Spontaneous Chiral Resolution and Hierarchical Directing Effects of Two-winged Propeller-like SDAs on the Construction of Noncentrosymmetric Iodoargentates/Iodocuprates","RSC Adv.","2016","","","","","10.1039/C6RA15159K","","","0.71073","MoKα","","0.038","0.0319","","","0.0622","0.0651","","","","","","1.012","","","","has coordinates","186508","2020-10-21","18:00:00",""
"7226526","12.9435","0.0011","4.5716","0.0003","20.997","0.002","90","","101.605","0.009","90","","1217.05","0.18","293","2","293","2","","","","","","","","5","P 1 n 1","P -2yac","7","[BQL][Ag4I5]","compound 3","","- C16 H14 Ag4 I5 N -","- C16 H14 Ag4 I5 N -","- C32 H28 Ag8 I10 N2 -","2","1","","Hao, Pengfei; Qiao, Yanrong; yu, tanlai; shen, junju; Dai, Dongting; fu, yunlong","Spontaneous Chiral Resolution and Hierarchical Directing Effects of Two-winged Propeller-like SDAs on the Construction of Noncentrosymmetric Iodoargentates/Iodocuprates","RSC Adv.","2016","","","","","10.1039/C6RA15159K","","","0.71073","MoKα","","0.0493","0.0441","","","0.1029","0.1078","","","","","","1.03","","","","has coordinates","186508","2020-10-21","18:00:00",""
"7226527","27.5988","0.0008","10.9911","0.0003","27.3011","0.0007","90","","105.089","0.003","90","","7996","0.4","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","[BQL]2[Cu5I7]","compound 4","","- C32 H28 Cu5 I7 N2 -","- C32 H28 Cu5 I7 N2 -","- C256 H224 Cu40 I56 N16 -","8","1","","Hao, Pengfei; Qiao, Yanrong; yu, tanlai; shen, junju; Dai, Dongting; fu, yunlong","Spontaneous Chiral Resolution and Hierarchical Directing Effects of Two-winged Propeller-like SDAs on the Construction of Noncentrosymmetric Iodoargentates/Iodocuprates","RSC Adv.","2016","","","","","10.1039/C6RA15159K","","","0.71073","MoKα","","0.049","0.0341","","","0.0627","0.0678","","","","","","1.092","","","","has coordinates","186508","2020-10-21","18:00:00",""
"7226528","18.7531","0.0008","25.0061","0.0011","10.5276","0.0005","90","","91.259","0.001","90","","4935.6","0.4","173.15","","173.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C28 H31.5 N0.5 O6 -","- C28 H31.5 N0.5 O6 -","- C224 H252 N4 O48 -","8","2","","Payne, Richard M.; Oliver, Clive L.","Single-crystal-to-single-crystal transformation of the desolvation of a cyclotriveratrylene‒acetonitrile inclusion complex via a gating mechanism with subsequent polymorphism","CrystEngComm","2016","18","41","7965","","10.1039/C6CE01078D","","","0.71073","MoKα","","0.0925","0.0476","","","0.1117","0.1322","","","","","","1.023","","","","has coordinates","188075","2020-10-21","18:00:00",""
"7226529","18.606","0.002","24.551","0.003","10.4027","0.0013","90","","90.819","0.003","90","","4751.4","1","153","2","153.15","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C27 H30 O6 -","- C27 H30 O6 -","- C216 H240 O48 -","8","2","","Payne, Richard M.; Oliver, Clive L.","Single-crystal-to-single-crystal transformation of the desolvation of a cyclotriveratrylene‒acetonitrile inclusion complex via a gating mechanism with subsequent polymorphism","CrystEngComm","2016","18","41","7965","","10.1039/C6CE01078D","","","0.71073","MoKα","","0.0696","0.0444","","","0.1005","0.1122","","","","","","1.027","","","","has coordinates","188075","2020-10-21","18:00:00",""
"7226530","8.7775","0.0009","9.6775","0.001","9.8961","0.001","81.46","0.004","69.986","0.005","78.63","0.004","771.35","0.14","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C13 H15 N3 O7 Zn -","- C13 H15 N3 O7 Zn -","- C26 H30 N6 O14 Zn2 -","2","1","","Karmakar, Anirban; Rúbio, Guilherme M. D. M.; Guedes da Silva, M. Fátima C.; Ribeiro, Ana; Pombeiro, Armando J. L.","ZnII and CdII MOFs based on Amidoisophthalic acid ligand: Synthesis, Structure and Catalytic Application in Transesterification","RSC Adv.","2016","","","","","10.1039/C6RA17518J","","","0.71073","MoKα","","0.0523","0.039","","","0.0978","0.1046","","","","","","1.07","","","","has coordinates","186537","2020-10-21","18:00:00",""
"7226531","11.777","0.002","15.197","0.003","17.163","0.003","115.964","0.006","103.286","0.007","90.579","0.007","2666.2","0.9","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C48 H58 N8 O18 Zn2 -","- C48 H58 N8 O18 Zn2 -","- C96 H116 N16 O36 Zn4 -","2","1","","Karmakar, Anirban; Rúbio, Guilherme M. D. M.; Guedes da Silva, M. Fátima C.; Ribeiro, Ana; Pombeiro, Armando J. L.","ZnII and CdII MOFs based on Amidoisophthalic acid ligand: Synthesis, Structure and Catalytic Application in Transesterification","RSC Adv.","2016","","","","","10.1039/C6RA17518J","","","0.71073","MoKα","","0.0532","0.0396","","","0.0986","0.1062","","","","","","1.085","","","","has coordinates,has disorder","186537","2020-10-21","18:00:00",""
"7226532","24.9839","0.0007","24.9839","0.0007","10.2525","0.0003","90","","90","","90","","6399.6","0.3","296","2","296","2","","","","","","","","5","I 41 c d","I 4bw -2c","110","","","","- C14 H16 Cd N2 O6 -","- C14 H16 Cd N2 O6 -","- C224 H256 Cd16 N32 O96 -","16","1","","Karmakar, Anirban; Rúbio, Guilherme M. D. M.; Guedes da Silva, M. Fátima C.; Ribeiro, Ana; Pombeiro, Armando J. L.","ZnII and CdII MOFs based on Amidoisophthalic acid ligand: Synthesis, Structure and Catalytic Application in Transesterification","RSC Adv.","2016","","","","","10.1039/C6RA17518J","","","0.71073","MoKα","","0.0271","0.0262","","","0.0628","0.0639","","","","","","1.068","","","","has coordinates","186537","2020-10-21","18:00:00",""
"7226533","15.439","0.011","10.758","0.007","28.81","0.02","90","","90.73","0.03","90","","4785","6","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C25 H19 N3 O7 Zn -","- C25 H19 N3 O7 Zn -","- C200 H152 N24 O56 Zn8 -","8","1","","Karmakar, Anirban; Rúbio, Guilherme M. D. M.; Guedes da Silva, M. Fátima C.; Ribeiro, Ana; Pombeiro, Armando J. L.","ZnII and CdII MOFs based on Amidoisophthalic acid ligand: Synthesis, Structure and Catalytic Application in Transesterification","RSC Adv.","2016","","","","","10.1039/C6RA17518J","","","0.71073","MoKα","","0.1224","0.0956","","","0.2488","0.2761","","","","","","1.045","","","","has coordinates,has disorder","186537","2020-10-21","18:00:00",""
"7226534","13.0001","0.0006","10.0706","0.0005","20.0881","0.001","90","","105.006","0.002","90","","2540.2","0.2","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C27 H23 Cd N5 O7 -","- C27 H23 Cd N5 O7 -","- C108 H92 Cd4 N20 O28 -","4","1","","Karmakar, Anirban; Rúbio, Guilherme M. D. M.; Guedes da Silva, M. Fátima C.; Ribeiro, Ana; Pombeiro, Armando J. L.","ZnII and CdII MOFs based on Amidoisophthalic acid ligand: Synthesis, Structure and Catalytic Application in Transesterification","RSC Adv.","2016","","","","","10.1039/C6RA17518J","","","0.71073","MoKα","","0.0429","0.0346","","","0.0794","0.0835","","","","","","1.123","","","","has coordinates","186537","2020-10-21","18:00:00",""
"7226535","11.6617","0.0017","11.7716","0.0017","13.3406","0.0019","90","","96.674","0.005","90","","1818.9","0.5","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C21 H21 N3 O3 -","- C21 H21 N3 O3 -","- C84 H84 N12 O12 -","4","1","","Das, Asish R.; Kausar, Nazia; Mukherjee, Prasun","A practical carbocatalysis by Graphene Oxide nanosheets in aqueous medium towards the synthesis of diversified dibenzo[1,4]diazepine scaffold","RSC Adv.","2016","","","","","10.1039/C6RA17520A","","","0.71073","MoKα","","0.0717","0.0483","","","0.1612","0.1945","","","","","","0.692","","","","has coordinates","186538","2020-10-21","18:00:00",""
"7226536","18.9978","0.001","14.8384","0.0007","23.5789","0.0012","90","","92.516","0.001","90","","6640.4","0.6","295","2","295","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C34 H26 Cd3 N3 O11 P2 -","- C34 H26 Cd3 N3 O11 P2 -","- C272 H208 Cd24 N24 O88 P16 -","8","1","","Zhao, Zhou; Yang, Dan; Xing, Bo; Ma, Chao; Sun, Zhen-Gang; Zhu, Yanyu; Li, Huan-Yu; Li, Jing","Cadmium(II) carboxyphosphonates based on the mixed ligands：syntheses, crystal structures and recognition properties for amino acids","RSC Adv.","2016","","","","","10.1039/C6RA20434A","","","0.71073","MoKα","","0.0237","0.0207","","","0.0479","0.0492","","","","","","1.094","","","","has coordinates","186539","2020-10-21","18:00:00",""
"7226537","15.0118","0.0011","19.319","0.0013","6.725","0.0003","90","","90","","90","","1950.3","0.2","293","2","293","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C16 H21 Cd N4 O7 P -","- C16 H21 Cd N4 O7 P -","- C64 H84 Cd4 N16 O28 P4 -","4","1","","Zhao, Zhou; Yang, Dan; Xing, Bo; Ma, Chao; Sun, Zhen-Gang; Zhu, Yanyu; Li, Huan-Yu; Li, Jing","Cadmium(II) carboxyphosphonates based on the mixed ligands：syntheses, crystal structures and recognition properties for amino acids","RSC Adv.","2016","","","","","10.1039/C6RA20434A","","","0.71073","MoKα","","0.0475","0.0371","","","0.0857","0.094","","","","","","1.069","","","","has coordinates","186539","2020-10-21","18:00:00",""
"7226538","14.095","0.0005","15.667","0.0005","21.182","0.0008","86.503","0.003","76.211","0.003","69.422","0.003","4251.6","0.3","120","1","120","1","","","","","","","","6","P -1","-P 1","2","","compound 1","","- C95 H74 B2 Cl6 Fe N16 -","- C95 H70 B2 Cl6 Fe N16 -","- C190 H140 B4 Cl12 Fe2 N32 -","2","1","","Adam, Rosa; Ballesteros-Garrido, Rafael; Ferrer, Sacramento; Abarca, Belén; Ballesteros, Rafael; Real, José Antonio; Muñoz, M. Carmen","From six-coordinate to eight-coordinate iron(ii) complexes with pyridyltriazolo-pyridine frameworks","CrystEngComm","2016","18","41","7950","","10.1039/C6CE01540A","","","0.71069","MoKα","","0.1551","0.0909","","","0.2557","0.3255","","","","","","1.022","","","","has coordinates","188078","2020-10-21","18:00:00",""
"7226539","12.328","0.0006","20.697","0.0008","17.7258","0.001","90","","117.72","0.004","90","","4003.7","0.4","120","1","120","1","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","compound 2","","- C32 H23 Br2 F6 Fe N12 O8.5 S2 -","- C32 H18 Br2 F6 Fe N12 O8.5 S2 -","- C128 H72 Br8 F24 Fe4 N48 O34 S8 -","4","1","","Adam, Rosa; Ballesteros-Garrido, Rafael; Ferrer, Sacramento; Abarca, Belén; Ballesteros, Rafael; Real, José Antonio; Muñoz, M. Carmen","From six-coordinate to eight-coordinate iron(ii) complexes with pyridyltriazolo-pyridine frameworks","CrystEngComm","2016","18","41","7950","","10.1039/C6CE01540A","","","0.71073","MoKα","","0.1649","0.0885","","","0.2422","0.3225","","","","","","0.952","","","","has coordinates","188078","2020-10-21","18:00:00",""
"7226540","18.0922","0.0015","28.182","0.002","16.7188","0.0012","90","","90","","90","","8524.5","1.1","296","2","296","2","","","","","","","","4","P 21 21 2","P 2 2ab","18","","","","- C30 H20 Cu2 N4 -","- C30 H20 Cu2 N4 -","- C360 H240 Cu24 N48 -","12","3","","Grzywa, Maciej; Denysenko, Dmytro; Schaller, Andreas; Kalytta-Mewes, Andreas; Volkmer, Dirk","Flexible chiral pyrazolate-based metal‒organic framework containing saddle-type CuI4(pyrazolate)4units","CrystEngComm","2016","18","40","7883","","10.1039/C6CE01594H","","","0.71073","MoKα","","0.2443","0.1496","","","0.2879","0.3181","","","","","","1.426","","","","has coordinates","188095","2020-10-21","18:00:00",""
"7226541","18.2348","0.0006","18.2348","0.0006","16.395","0.0004","90","","90","","120","","4721.1","0.2","100","2","100","2","","","","","","","","5","P 32 2 1","P 32 2""","154","","","","- C31 H24 Cu2 N4 O -","- C30 H20 Cu2 N4 -","- C180 H120 Cu12 N24 -","6","1","","Grzywa, Maciej; Denysenko, Dmytro; Schaller, Andreas; Kalytta-Mewes, Andreas; Volkmer, Dirk","Flexible chiral pyrazolate-based metal‒organic framework containing saddle-type CuI4(pyrazolate)4units","CrystEngComm","2016","18","40","7883","","10.1039/C6CE01594H","","","0.71073","MoKα","","0.0458","0.0409","","","0.1097","0.1129","","","","","","1.059","","","","has coordinates,has disorder","188095","2020-10-21","18:00:00",""
"7226542","10.0179","0.0008","12.2989","0.0011","17.6698","0.0016","100.592","0.005","95.431","0.005","102.457","0.005","2069.1","0.3","298","2","298.15","","","","","","","","","7","P -1","-P 1","2","","","","- C34 H24 Eu F12 N O8 S4 -","- C34 H24 Eu F12 N O8 S4 -","- C68 H48 Eu2 F24 N2 O16 S8 -","2","1","","Yi, Sijing; Yao, Meihuan; Wang, Jiao; Chen, Xiao","Highly luminescent and stable lyotropic liquid crystals based on a europium β-diketonate complex bridged by an ethylammonium cation.","Physical chemistry chemical physics : PCCP","2016","18","39","27603","27612","10.1039/c6cp05940f","","","0.71","MoKα","","0.0446","0.038","","","0.1012","0.1072","","","","","","1.058","","","","has coordinates","187201","2020-10-21","18:00:00",""
"7226543","10.5089","0.0011","7.7759","0.0008","20.04","0.002","90","","93.658","0.002","90","","1634.3","0.3","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","[Mn2(4-Apha)4(H2O)2].2H2O","","- C28 H36 Mn2 N8 O12 -","- C28 H36 Mn2 N8 O12 -","- C56 H72 Mn4 N16 O24 -","2","0.5","","Jiang, Peng; Peng, Fen; Chen, Yanmei","Temperature-induced single-crystal-to-single-crystal transformation of a binuclear Mn(II) complex into a 1D chain polymer","RSC Adv.","2016","","","","","10.1039/C6RA14364D","","","0.71073","MoKα","","0.0356","0.0295","","","0.0771","0.0805","","","","","","1.054","","","","has coordinates","186559","2020-10-21","18:00:00",""
"7226544","12.6392","0.0014","17.209","0.003","6.7442","0.0008","90","","90","","90","","1466.9","0.3","296","2","296","2","","","","","","","","5","I b a 2","I 2 -2c","45","","[Mn(4-Apha)2]","","- C14 H14 Mn N4 O4 -","- C14 H14 Mn N4 O4 -","- C56 H56 Mn4 N16 O16 -","4","0.5","","Jiang, Peng; Peng, Fen; Chen, Yanmei","Temperature-induced single-crystal-to-single-crystal transformation of a binuclear Mn(II) complex into a 1D chain polymer","RSC Adv.","2016","","","","","10.1039/C6RA14364D","","","0.71073","MoKα","","0.034","0.0268","","","0.0608","0.064","","","","","","0.996","","","","has coordinates","186559","2020-10-21","18:00:00",""
"7226545","8.7368","0.0006","14.7568","0.0011","17.2163","0.0011","83.552","0.006","77.427","0.006","76.645","0.006","2103.3","0.3","120","0.1","120","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C50 H56 N2 Si2 -","- C50 H56 N2 Si2 -","- C100 H112 N4 Si4 -","2","1","","Hoff, John J.; Zhu, Lei; Dong, Yutong; Albers, Thomas; Steel, Peter J.; Cui, Xianwei; Wen, Ying; Lebedyeva, Iryna; Miao, Shaobin","Diazapentacene derivatives: synthesis, properties, and structures","RSC Adv.","2016","6","90","86824","","10.1039/C6RA15359C","","x-ray","1.54184","CuKα","","0.1313","0.0967","","","0.251","0.3022","","","","","","1.021","","","","has coordinates","186560","2020-10-21","18:00:00",""
"7226546","11.4998","0.0002","13.7588","0.0003","22.6844","0.0005","73.434","0.001","80.412","0.001","65.515","0.001","3126.02","0.11","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C30 H50 Co2 Mo10 N6 O48 Zn2 -","- C30 H24 Co2 Mo10 N6 O48 Zn2 -","- C60 H48 Co4 Mo20 N12 O96 Zn4 -","2","1","","Fei, Fei; An, Haiyan; Xu, Tieqi; Meng, Changgong","Syntheses, structures and catalytic properties of organic‒inorganic hybrid materials constructed from Evans−Showell-type polyoxometalates and zinc-organic coordination units","RSC Adv.","2016","","","","","10.1039/C6RA14894H","","","0.71073","MoKα","","0.0336","0.027","","","0.0682","0.0721","","","","","","1.022","","","","has coordinates,has disorder","186561","2020-10-21","18:00:00",""
"7226547","23.2424","0.0017","15.4023","0.0012","22.1388","0.0015","90","","115.004","0.004","90","","7182.6","0.9","296","2","296","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C36 H58 Co2 Mo10 N6 O46 Zn2 -","- C36 H32 Co2 Mo10 N6 O46 Zn2 -","- C144 H128 Co8 Mo40 N24 O184 Zn8 -","4","0.5","","Fei, Fei; An, Haiyan; Xu, Tieqi; Meng, Changgong","Syntheses, structures and catalytic properties of organic‒inorganic hybrid materials constructed from Evans−Showell-type polyoxometalates and zinc-organic coordination units","RSC Adv.","2016","","","","","10.1039/C6RA14894H","","","0.71073","MoKα","","0.0644","0.0416","","","0.1037","0.1159","","","","","","1.036","","","","has coordinates,has disorder","186561","2020-10-21","18:00:00",""
"7226548","18.9648","0.0016","12.209","0.001","26.576","0.002","90","","107.899","0.001","90","","5855.6","0.8","296","2","296","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C26 H48 Co2 Mo10 N4 O44 Zn -","- C26 H32 Co2 Mo10 N4 O44 Zn -","- C104 H128 Co8 Mo40 N16 O176 Zn4 -","4","1","","Fei, Fei; An, Haiyan; Xu, Tieqi; Meng, Changgong","Syntheses, structures and catalytic properties of organic‒inorganic hybrid materials constructed from Evans−Showell-type polyoxometalates and zinc-organic coordination units","RSC Adv.","2016","","","","","10.1039/C6RA14894H","","","0.71073","MoKα","","0.0587","0.0374","","","0.0879","0.1004","","","","","","0.983","","","","has coordinates,has disorder","186561","2020-10-21","18:00:00",""
"7226549","15.368","0.004","16.952","0.004","25.834","0.006","90","","99.678","0.003","90","","6634","3","273","2","273","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C12 H60 Co2 Mo10 N18 O56 Zn3 -","- C12 H18 Co2 Mo10 N18 O56 Zn3 -","- C48 H72 Co8 Mo40 N72 O224 Zn12 -","4","0.5","","Fei, Fei; An, Haiyan; Xu, Tieqi; Meng, Changgong","Syntheses, structures and catalytic properties of organic‒inorganic hybrid materials constructed from Evans−Showell-type polyoxometalates and zinc-organic coordination units","RSC Adv.","2016","","","","","10.1039/C6RA14894H","","","0.71073","MoKα","","0.0831","0.0702","","","0.146","0.151","","","","","","1.199","","","","has coordinates","186561","2020-10-21","18:00:00",""
"7226550","7.6484","0.0005","16.6146","0.0011","11.9576","0.0007","90","","108.111","0.001","90","","1444.23","0.16","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H11 N3 O6 -","- C15 H11 N3 O6 -","- C60 H44 N12 O24 -","4","1","","Mekala, R.; Mani, Rajaboopathi; Rietveld, Ivo B.; Jagdish, P.; Mathammal, R.; Jiang, Huaidong","Crystal growth and physical properties of the organic salt benzimidazolium 3-nitrophthalate","CrystEngComm","2016","18","42","8194","","10.1039/C6CE01712F","","","0.71073","MoKα","","0.047","0.0358","","","0.0846","0.0953","","","","","","1.049","","","","has coordinates","188100","2020-10-21","18:00:00",""
"7226551","15.769","0.003","18.047","0.003","18.752","0.003","102.985","0.003","91.397","0.002","91.223","0.003","5196.5","1.6","298","2","298","2","","","","","","","","7","P -1","-P 1","2","","","","- C89 H107 F12 N8 O14 P2 S2 -","- C89 H107 F12 N8 O14 P2 S2 -","- C178 H214 F24 N16 O28 P4 S4 -","2","1","","Geng, Yong-Jie; Zhang, Ai-Qin; Wu, Kun-Xian; Xue, Dong-Xu; Liu, Zhi-Hong","A unique (3,10)-connected magnesium/nickel-based metal‒organic framework constructed from an unusual kgd supermolecular building layer via mixed linkers and solid solution approach","CrystEngComm","2016","18","43","8358","","10.1039/C6CE01629D","","","0.71073","MoKα","","0.129","0.0698","","","0.1945","0.2242","","","","","","0.926","","","","has coordinates","188086","2020-10-21","18:00:00",""
"7226552","6.605","","13.973","","16.2","","90","","94.04","","90","","1491.41","","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H20 N2 O2 S -","- C14 H20 N2 O2 S -","- C56 H80 N8 O8 S4 -","4","1","","Bansode, Prakash; jadhav, jagannath shrimant; Kurane, Rajanikant; Choudhari, Prafulla; Bhatia, Manish S.; Khanapure, Sharanbasappa; Salunkhe, Rajashri S.; Rashinkar, Gajanan Shankarrao","Potentially antibreast cancer enamidines via azide-alkyne-amine coupling and their molecular docking studies","RSC Adv.","2016","","","","","10.1039/C6RA20583F","","","0.71073","MoKα","","0.0536","0.0474","","","0.1303","0.1395","","","","","","1.041","","","","has coordinates","186576","2020-10-21","18:00:00",""
"7226553","10.0225","0.0015","19.081","0.006","21.963","0.003","90","","93.606","0.013","90","","4191.9","1.6","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C50 H36 N4 O8 -","- C50 H36 N4 O8 -","- C200 H144 N16 O32 -","4","1","","Zhulanov, Vladimir E.; Dmitriev, Maksim V.; Maslivets, Andrey N.; Rubin, Michael","New method for in-situ generation of enolate-iminium 1,4-dipoles for [4+2] and [4+1] dipolar heterocycloaddition reactions","RSC Adv.","2016","","","","","10.1039/C6RA21981K","","","0.71073","MoKα","","0.1301","0.0608","","","0.1307","0.1614","","","","","","0.99","","","","has coordinates","186577","2020-10-21","18:00:00",""
"7226554","11.941","0.003","18.538","0.003","12.5422","0.0017","90","","91.318","0.017","90","","2775.6","0.9","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C32 H23 Br N2 O5 -","- C32 H23 Br N2 O5 -","- C128 H92 Br4 N8 O20 -","4","1","","Zhulanov, Vladimir E.; Dmitriev, Maksim V.; Maslivets, Andrey N.; Rubin, Michael","New method for in-situ generation of enolate-iminium 1,4-dipoles for [4+2] and [4+1] dipolar heterocycloaddition reactions","RSC Adv.","2016","","","","","10.1039/C6RA21981K","","","0.71073","MoKα","","0.1113","0.0617","","","0.1737","0.2028","","","","","","1.112","","","","has coordinates","186577","2020-10-21","18:00:00",""
"7226555","11.0358","0.0018","11.317","0.002","22.376","0.007","90","","94.18","0.02","90","","2787.2","1.1","295","2","295","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C32 H22 Br N3 O4 -","- C32 H22 Br N3 O4 -","- C128 H88 Br4 N12 O16 -","4","1","","Zhulanov, Vladimir E.; Dmitriev, Maksim V.; Maslivets, Andrey N.; Rubin, Michael","New method for in-situ generation of enolate-iminium 1,4-dipoles for [4+2] and [4+1] dipolar heterocycloaddition reactions","RSC Adv.","2016","","","","","10.1039/C6RA21981K","","","0.71073","MoKα","","0.123","0.0543","","","0.1188","0.1408","","","","","","1.025","","","","has coordinates,has disorder","186577","2020-10-21","18:00:00",""
"7226556","11.6231","0.0017","10.6422","0.0016","21.254","0.003","90","","96.894","0.013","90","","2610","0.7","295","2","295","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C29 H34 N2 O5 -","- C29 H34 N2 O5 -","- C116 H136 N8 O20 -","4","1","","Zhulanov, Vladimir E.; Dmitriev, Maksim V.; Maslivets, Andrey N.; Rubin, Michael","New method for in-situ generation of enolate-iminium 1,4-dipoles for [4+2] and [4+1] dipolar heterocycloaddition reactions","RSC Adv.","2016","","","","","10.1039/C6RA21981K","","","0.71073","MoKα","","0.0764","0.0579","","","0.151","0.1631","","","","","","1.038","","","","has coordinates","186577","2020-10-21","18:00:00",""
"7226557","7.2763","0.0012","10.4418","0.0018","21.71","0.002","91.501","0.011","93.402","0.012","108.619","0.016","1558.6","0.4","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","","","- C36 H32 Cl N3 O4 -","- C36 H32 Cl N3 O4 -","- C72 H64 Cl2 N6 O8 -","2","1","","Zhulanov, Vladimir E.; Dmitriev, Maksim V.; Maslivets, Andrey N.; Rubin, Michael","New method for in-situ generation of enolate-iminium 1,4-dipoles for [4+2] and [4+1] dipolar heterocycloaddition reactions","RSC Adv.","2016","","","","","10.1039/C6RA21981K","","","0.71073","MoKα","","0.1186","0.0644","","","0.1319","0.158","","","","","","0.986","","","","has coordinates","186577","2020-10-21","18:00:00",""
"7226558","9.914","0.002","12.182","0.003","12.358","0.003","99.856","0.006","99.466","0.006","107.794","0.006","1362.2","0.6","273","2","273","2","","","","","","","","5","P -1","-P 1","2","","Methyl 1-(4-(4-chlorobenzoyl)-3-(p-tolyl)isoxazol-5-yl)-9-ethyl-9H-pyrido[3,4-b]indole-3-carboxylate","","- C32 H24 Cl N3 O4 -","- C32 H24 Cl N3 O4 -","- C64 H48 Cl2 N6 O8 -","2","1","","Singh, Dharmender; Devi, Nisha; Kumar, Vipin; Malakar, Chandi C.; Mehra, Saloni; Rawal, Ravindra K.; Kaith, B. S.; Singh, Virender","Metal-free 1,3-dipolar cycloaddition approach towards the regioselective synthesis of β-carboline and isoxazole based molecular hybrids","RSC Adv.","2016","6","91","88066","","10.1039/C6RA15875G","","","0.71073","MoKα","","0.1684","0.0715","","","0.1846","0.2343","","","","","","1.023","","","","has coordinates","186578","2020-10-21","18:00:00",""
"7226559","9.2893","0.0019","9.6941","0.0019","13.155","0.003","69","0.03","74.34","0.03","73.14","0.03","1040","0.5","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","","","- C24 H23 N3 S -","- C24 H23 N3 S -","- C48 H46 N6 S2 -","2","1","","Shiri, Morteza; Faghihi, Zeinab; Oskouei, Hossein A.; Heravi, Majid M.; Fazelzadeh, Shima; Notash, Behrouz","The Synthesis of Iminothiophenone-Fused Quinolines and Evaluation of Their Serendipitous Reactions","RSC Adv.","2016","","","","","10.1039/C6RA11469E","","","0.71073","MoKα","","0.1137","0.0763","","","0.1912","0.2252","","","","","","1.051","","","","has coordinates","186579","2020-10-21","18:00:00",""
"7226560","14.19","0.003","8.068","0.0016","22.427","0.005","90","","100.06","0.03","90","","2528.1","1","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","ebp-terpyridine","ebptpy","","- C30 H23 N3 O2 -","- C30 H23 N3 O2 -","- C120 H92 N12 O8 -","4","1","","Lee, Young Hoon; Kim, Jee Young; Kim, Yang; Hayami, Shinya; Shin, Jong Won; Harrowfield, Jack; Stefankiewicz, Artur R.","Lattice interactions of terpyridines and their derivatives ‒ free terpyridines and their protonated forms","CrystEngComm","2016","18","41","8059","","10.1039/C6CE01435F","","","0.7","Synchrotron","","0.0658","0.0487","","","0.1508","0.1608","","","","","","1.127","","","","has coordinates","188079","2020-10-21","18:00:00",""
"7226561","22.883","0.005","8.352","0.0017","14.445","0.003","90","","106.61","0.03","90","","2645.5","1","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","etp-terpyridine","etptpy","","- C36 H27 N3 O2 -","- C36 H27 N3 O2 -","- C144 H108 N12 O8 -","4","1","","Lee, Young Hoon; Kim, Jee Young; Kim, Yang; Hayami, Shinya; Shin, Jong Won; Harrowfield, Jack; Stefankiewicz, Artur R.","Lattice interactions of terpyridines and their derivatives ‒ free terpyridines and their protonated forms","CrystEngComm","2016","18","41","8059","","10.1039/C6CE01435F","","","0.7","Synchrotron","","0.0563","0.0499","","","0.1422","0.148","","","","","","1.063","","","","has coordinates","188079","2020-10-21","18:00:00",""
"7226562","6.527","0.0013","7.903","0.0016","18.016","0.004","95.78","0.03","95.32","0.03","94.15","0.03","917.5","0.3","100","2","100","2","","","","","","","","4","P -1","-P 1","2","pfpatpy","pfpatpy","","- C23 H10 F5 N3 -","- C23 H10 F5 N3 -","- C46 H20 F10 N6 -","2","1","","Lee, Young Hoon; Kim, Jee Young; Kim, Yang; Hayami, Shinya; Shin, Jong Won; Harrowfield, Jack; Stefankiewicz, Artur R.","Lattice interactions of terpyridines and their derivatives ‒ free terpyridines and their protonated forms","CrystEngComm","2016","18","41","8059","","10.1039/C6CE01435F","","","0.63","Synchrotron","","0.0766","0.0662","","","0.183","0.1991","","","","","","1.046","","","","has coordinates","188079","2020-10-21","18:00:00",""
"7226563","5.714","0.0011","16.831","0.003","17.555","0.004","90","","92.54","0.03","90","","1686.6","0.6","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","bzo-terpyridine","bzotpy","","- C22 H17 N3 O -","- C22 H17 N3 O -","- C88 H68 N12 O4 -","4","1","","Lee, Young Hoon; Kim, Jee Young; Kim, Yang; Hayami, Shinya; Shin, Jong Won; Harrowfield, Jack; Stefankiewicz, Artur R.","Lattice interactions of terpyridines and their derivatives ‒ free terpyridines and their protonated forms","CrystEngComm","2016","18","41","8059","","10.1039/C6CE01435F","","","0.7","Synchrotron","","0.0514","0.0443","","","0.1262","0.1307","","","","","","1.077","","","","has coordinates","188079","2020-10-21","18:00:00",""
"7226564","13.742","0.006","10.981","0.005","23.785","0.01","90","","103.153","0.006","90","","3495","3","100","2","100","2","","","","","","","","5","P 1 2/n 1","-P 2yac","13","","","","- C66 H36 Eu2 N6 O15 -","- C66 H36 Eu2 N6 O15 -","- C132 H72 Eu4 N12 O30 -","2","0.5","","Qiang, Dajiao; Yang, Xiaogang; Deng, Xuebin; Sun, Hao-Ling","Two novel eight-connected self-penetrating porous lanthanide‒organic frameworks: structures, luminescence, and gas adsorption properties","CrystEngComm","2016","18","42","8159","","10.1039/C6CE01527A","","","0.71073","MoKα","","0.0605","0.0436","","","0.0908","0.0968","","","","","","1.022","","","","has coordinates","188109","2020-10-21","18:00:00",""
"7226565","13.502","0.004","26.611","0.008","18.609","0.006","90","","90","","90","","6686","4","100","2","100","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C66 H36 Eu2 N6 O15 -","- C66 H36 Eu2 N6 O15 -","- C264 H144 Eu8 N24 O60 -","4","0.5","","Qiang, Dajiao; Yang, Xiaogang; Deng, Xuebin; Sun, Hao-Ling","Two novel eight-connected self-penetrating porous lanthanide‒organic frameworks: structures, luminescence, and gas adsorption properties","CrystEngComm","2016","18","42","8159","","10.1039/C6CE01527A","","","0.71073","MoKα","","0.1047","0.0491","","","0.1025","0.1208","","","","","","1.006","","","","has coordinates,has disorder","188109","2020-10-21","18:00:00",""
"7226566","12.1013","0.0003","12.1013","0.0003","24.5291","0.0009","90","","90","","90","","3592.08","0.18","173","2","173","2","","","","","","","","4","P 43 21 2","P 4nw 2abw","96","","","","- C36 H40 N6 O7 -","- C36 H34 N6 O7 -","- C144 H136 N24 O28 -","4","0.5","","Ganß, Alexander; Xu, Chaojie; Guenet, Aurélie; Kelm, Harald; Kyritsakas, Nathalie; Planeix, Jean-Marc; Kubik, Stefan; Hosseini, Mir Wais","Molecular tectonics: homochiral coordination polymers based on pyridyl-substituted cyclic tetrapeptides","CrystEngComm","2016","18","40","7685","","10.1039/C6CE01944G","","","0.71073","MoKα","","0.1147","0.0999","","","0.3109","0.3351","","","","","","1.079","","","","has coordinates","188089","2020-10-21","18:00:00",""
"7226567","8.1558","0.0002","12.8129","0.0003","22.6191","0.0004","90","","90","","90","","2363.68","0.09","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C24 H30 N6 O6 -","- C24 H30 N6 O6 -","- C96 H120 N24 O24 -","4","1","","Ganß, Alexander; Xu, Chaojie; Guenet, Aurélie; Kelm, Harald; Kyritsakas, Nathalie; Planeix, Jean-Marc; Kubik, Stefan; Hosseini, Mir Wais","Molecular tectonics: homochiral coordination polymers based on pyridyl-substituted cyclic tetrapeptides","CrystEngComm","2016","18","40","7685","","10.1039/C6CE01944G","","","1.54184","CuKα","","0.0399","0.0395","","","0.1051","0.1055","","","","","","1.085","","","","has coordinates","188089","2020-10-21","18:00:00",""
"7226568","23.6335","0.0014","4.9941","0.0002","18.5991","0.0012","90","","123.025","0.004","90","","1840.5","0.2","173","2","173","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C34 H30 Cd Cl2 N6 O4 -","- C34 H30 Cd Cl2 N6 O4 -","- C68 H60 Cd2 Cl4 N12 O8 -","2","0.5","","Ganß, Alexander; Xu, Chaojie; Guenet, Aurélie; Kelm, Harald; Kyritsakas, Nathalie; Planeix, Jean-Marc; Kubik, Stefan; Hosseini, Mir Wais","Molecular tectonics: homochiral coordination polymers based on pyridyl-substituted cyclic tetrapeptides","CrystEngComm","2016","18","40","7685","","10.1039/C6CE01944G","","","0.71073","MoKα","","0.0561","0.052","","","0.1504","0.1541","","","","","","1.025","","","","has coordinates","188089","2020-10-21","18:00:00",""
"7226569","23.604","0.004","4.9826","0.0008","18.294","0.003","90","","124.204","0.003","90","","1779.4","0.5","173","2","173","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C34 H30 Cl2 Hg N6 O4 -","- C34 H30 Cl2 Hg N6 O4 -","- C68 H60 Cl4 Hg2 N12 O8 -","2","0.5","","Ganß, Alexander; Xu, Chaojie; Guenet, Aurélie; Kelm, Harald; Kyritsakas, Nathalie; Planeix, Jean-Marc; Kubik, Stefan; Hosseini, Mir Wais","Molecular tectonics: homochiral coordination polymers based on pyridyl-substituted cyclic tetrapeptides","CrystEngComm","2016","18","40","7685","","10.1039/C6CE01944G","","","0.71073","MoKα","","0.0486","0.0443","","","0.1062","0.1086","","","","","","1.03","","","","has coordinates","188089","2020-10-21","18:00:00",""
"7226570","10.5415","0.0004","23.0604","0.0013","35.42","0.0014","90","","90","","90","","8610.3","0.7","173","2","173","2","","","","","","","","6","C 2 2 21","C 2c 2","20","","","","- C69 H78 Cl6 Hg3 N18 O15 -","- C69 H78 Cl6 Hg3 N18 O15 -","- C276 H312 Cl24 Hg12 N72 O60 -","4","0.5","","Ganß, Alexander; Xu, Chaojie; Guenet, Aurélie; Kelm, Harald; Kyritsakas, Nathalie; Planeix, Jean-Marc; Kubik, Stefan; Hosseini, Mir Wais","Molecular tectonics: homochiral coordination polymers based on pyridyl-substituted cyclic tetrapeptides","CrystEngComm","2016","18","40","7685","","10.1039/C6CE01944G","","","0.71073","MoKα","","0.0862","0.0844","","","0.2068","0.2076","","","","","","1.005","","","","has coordinates","188089","2020-10-21","18:00:00",""
"7226571","10.229","0.003","10.526","0.004","12.346","0.004","66.68","0.01","78.973","0.011","67.688","0.01","1128","0.7","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C13 H10 F2 N2 -","- C13 H10 F2 N2 -","- C52 H40 F8 N8 -","4","2","","Dey, Dhananjay; Chopra, Deepak","Solvatomorphism in (Z)-4-fluoro-N′-(3-fluorophenyl)benzimidamide: the role of intermolecular O‒H⋯F interaction","CrystEngComm","2016","18","42","8291","","10.1039/C6CE01668E","","","0.71073","MoKα","","0.0797","0.0495","","","0.1091","0.1227","","","","","","1.03","","","","has coordinates,has disorder","188103","2020-10-21","18:00:00",""
"7226572","9.8216","0.0003","11.6073","0.0004","12.2477","0.0004","105.726","0.002","111.775","0.001","105.364","0.002","1139","0.07","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H22 F4 N4 O -","- C26 H22 F4 N4 O -","- C52 H44 F8 N8 O2 -","2","1","","Dey, Dhananjay; Chopra, Deepak","Solvatomorphism in (Z)-4-fluoro-N′-(3-fluorophenyl)benzimidamide: the role of intermolecular O‒H⋯F interaction","CrystEngComm","2016","18","42","8291","","10.1039/C6CE01668E","","","0.71073","MoKα","","0.0412","0.037","","","0.0917","0.0942","","","","","","1.037","","","","has coordinates,has disorder","188103","2020-10-21","18:00:00",""
"7226573","11.8755","0.0003","10.7481","0.0002","18.0005","0.0004","90","","104.253","0.002","90","","2226.84","0.09","173","2","173","2","","","","","","","","3","C 1 2 1","C 2y","5","","","","- C23 H36 O8 -","- C23 H36 O8 -","- C92 H144 O32 -","4","1","","Zhang, Peng-Wei; Tian, Hai-Yan; Nie, Qiu-Lin; Wang, Lei; Zhou, Shi-Wen; Ye, Wen-Cai; Zhang, Dong-Mei; Jiang, Ren-Wang","Structures and inhibitory activity against breast cancer cells of new bufadienolides from the eggs of toad Bufo bufo gargarizans","RSC Adv.","2016","","","","","10.1039/C6RA18676A","","","1.54178","CuKα","","0.0383","0.0376","","","0.1018","0.1029","","","","","","1.085","","","","has coordinates","186623","2020-10-21","18:00:00",""
"7226574","10.7367","0.0005","11.1799","0.0005","16.8458","0.0009","90","","90","","90","","2022.09","0.17","173","2","173","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C23 H32 O6 -","- C23 H32 O6 -","- C92 H128 O24 -","4","1","","Zhang, Peng-Wei; Tian, Hai-Yan; Nie, Qiu-Lin; Wang, Lei; Zhou, Shi-Wen; Ye, Wen-Cai; Zhang, Dong-Mei; Jiang, Ren-Wang","Structures and inhibitory activity against breast cancer cells of new bufadienolides from the eggs of toad Bufo bufo gargarizans","RSC Adv.","2016","","","","","10.1039/C6RA18676A","","","1.54178","CuKα","","0.0662","0.0633","","","0.1777","0.1817","","","","","","1.062","","","","has coordinates","186623","2020-10-21","18:00:00",""
"7226575","9.096","0.0018","11.993","0.002","14.283","0.003","74.2","0.03","75.55","0.03","89.72","0.03","1448.5","0.6","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C34 H35 Cl N2 O2 Ru -","- C34 H35 Cl N2 O2 Ru -","- C68 H70 Cl2 N4 O4 Ru2 -","2","1","","Pitchaimani, J.; Raja, MR Charan; Srinivasan, Sujatha; Kar Mahapatra, Santanu; Moon, Dohyun; Anthony, Savarimuthu Philip; Madhu, Vedichi","Arene Ruthenium (II) Complexes with Chalcone, Aminoantipyrine and Aminopyrimidine Based Ligands: Synthesis, Structure and Preliminary Evaluation of Anti-leukemia Activity","RSC Adv.","2016","","","","","10.1039/C6RA18504E","","","0.61","synchrotron","","0.0314","0.0272","","","0.075","0.0762","","","","","","1.07","","","","has coordinates","186624","2020-10-21","18:00:00",""
"7226576","12.175","0.002","11.563","0.002","30.76","0.006","90","","97.18","0.03","90","","4296.4","1.4","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C21 H27 Cl2 N3 O Ru -","- C21 H27 Cl2 N3 O Ru -","- C168 H216 Cl16 N24 O8 Ru8 -","8","1","","Pitchaimani, J.; Raja, MR Charan; Srinivasan, Sujatha; Kar Mahapatra, Santanu; Moon, Dohyun; Anthony, Savarimuthu Philip; Madhu, Vedichi","Arene Ruthenium (II) Complexes with Chalcone, Aminoantipyrine and Aminopyrimidine Based Ligands: Synthesis, Structure and Preliminary Evaluation of Anti-leukemia Activity","RSC Adv.","2016","","","","","10.1039/C6RA18504E","","","0.61","synchrotron","","0.0378","0.0326","","","0.0859","0.0875","","","","","","1.133","","","","has coordinates","186624","2020-10-21","18:00:00",""
"7226577","9.329","0.0019","10.369","0.002","11.557","0.002","94.36","0.03","96.55","0.03","112.79","0.03","1015.1","0.4","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C19 H22 B Cl F4 N4 Ru -","- C19 H22 B Cl F4 N4 Ru -","- C38 H44 B2 Cl2 F8 N8 Ru2 -","2","1","","Pitchaimani, J.; Raja, MR Charan; Srinivasan, Sujatha; Kar Mahapatra, Santanu; Moon, Dohyun; Anthony, Savarimuthu Philip; Madhu, Vedichi","Arene Ruthenium (II) Complexes with Chalcone, Aminoantipyrine and Aminopyrimidine Based Ligands: Synthesis, Structure and Preliminary Evaluation of Anti-leukemia Activity","RSC Adv.","2016","","","","","10.1039/C6RA18504E","","","0.61","synchrotron","","0.0398","0.0336","","","0.0893","0.0916","","","","","","1.008","","","","has coordinates","186624","2020-10-21","18:00:00",""
"7226578","9.029","0.003","9.545","0.003","17.249","0.005","90","","98.859","0.004","90","","1468.8","0.8","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C16 H10 Br N3 O3 -","- C16 H10 Br N3 O3 -","- C64 H40 Br4 N12 O12 -","4","1","","Zhu, Xiaolei; Qiao, Li; Ye, Pingping; Ying, Beibei; Xu, Jun; Shen, Chao; Zhang, Peng-Fei","Copper-catalyzed rapid C-H nitration of 8-aminoquinolines by using sodium nitrite as the nitro source under mild conditions","RSC Adv.","2016","","","","","10.1039/C6RA19583K","","","0.71073","MoKα","","0.0463","0.0338","","","0.0792","0.0836","","","","","","1.068","","","","has coordinates","186625","2020-10-21","18:00:00",""
"7226579","10.538","0.0005","10.8294","0.0006","11.2159","0.0006","78.167","0.005","84.072","0.004","77.604","0.005","1221.2","0.11","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C50 H54 Ag2 N2 P2 S4 -","- C50 H54 Ag2 N2 P2 S4 -","- C50 H54 Ag2 N2 P2 S4 -","1","0.5","","Bharty, M. K.; Nath, Paras; Singh, Nand Kishor; Maiti, Biswajit; Bharty, A.; Butcher, R. J; Wikaira, Jan L.","Ag(I), Cu(II), Co(III), Hg(II) complexes and metal assisted products derived from 4-methyl-piperidine-carbodithioate: Synthesis, structures, thermal analysis, redox behaviour and fluorescence properties","RSC Advances","2016","6","96","93867","93880","10.1039/C6RA15186H","","","0.71073","MoKα","","0.0646","0.0445","","","0.1118","0.1299","","","","","","0.968","","","","has coordinates","264413","2021-04-22","12:43:38",""
"7226580","8.8763","0.0015","10.0172","0.0017","11.405","0.002","87.26","0.015","74.873","0.016","76.569","0.014","952.1","0.3","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C15 H26 N2 S4 -","- C15 H26 N2 S4 -","- C30 H52 N4 S8 -","2","1","","Bharty, M. K.; Nath, Paras; Singh, Nand Kishor; Maiti, Biswajit; Bharty, A.; Butcher, R. J; Wikaira, Jan L.","Ag(I), Cu(II), Co(III), Hg(II) complexes and metal assisted products derived from 4-methyl-piperidine-carbodithioate: Synthesis, structures, thermal analysis, redox behaviour and fluorescence properties","RSC Advances","2016","6","96","93867","93880","10.1039/C6RA15186H","","","0.71073","MoKα","","0.1396","0.0936","","","0.3293","0.3757","","","","","","0.837","","","","has coordinates","264413","2021-04-22","12:43:39",""
"7226581","8.799","0.005","15.123","0.009","11.633","0.007","90","","108.238","0.009","90","","1470.2","1.5","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C13 H17 Hg N S2 -","- C13 H17 Hg N S2 -","- C52 H68 Hg4 N4 S8 -","4","1","","Bharty, M. K.; Nath, Paras; Singh, Nand Kishor; Maiti, Biswajit; Bharty, A.; Butcher, R. J; Wikaira, Jan L.","Ag(I), Cu(II), Co(III), Hg(II) complexes and metal assisted products derived from 4-methyl-piperidine-carbodithioate: Synthesis, structures, thermal analysis, redox behaviour and fluorescence properties","RSC Advances","2016","6","96","93867","93880","10.1039/C6RA15186H","","","0.71073","MoKα","","0.0679","0.0408","","","0.0987","0.1111","","","","","","0.962","","","","has coordinates","264413","2021-04-22","12:43:39",""
"7226582","10.2666","0.0002","12.0914","0.0004","14.7203","0.0005","113.488","0.003","94.486","0.002","105.773","0.002","1576.39","0.09","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","","","- C22 H37 Cl3 Co N3 S6 -","- C22 H37 Cl3 Co N3 S6 -","- C44 H74 Cl6 Co2 N6 S12 -","2","1","","Bharty, M. K.; Nath, Paras; Singh, Nand Kishor; Maiti, Biswajit; Bharty, A.; Butcher, R. J; Wikaira, Jan L.","Ag(I), Cu(II), Co(III), Hg(II) complexes and metal assisted products derived from 4-methyl-piperidine-carbodithioate: Synthesis, structures, thermal analysis, redox behaviour and fluorescence properties","RSC Advances","2016","6","96","93867","93880","10.1039/C6RA15186H","","","1.54184","CuKα","","0.049","0.0471","","","0.1269","0.1288","","","","","","1.027","","","","has coordinates","264413","2021-04-22","12:43:39",""
"7226583","12.7159","0.0008","6.4218","0.0004","22.3157","0.0014","90","","104.133","0.006","90","","1767.1","0.2","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H24 N2 S4 -","- C14 H24 N2 S4 -","- C56 H96 N8 S16 -","4","1","","Bharty, M. K.; Nath, Paras; Singh, Nand Kishor; Maiti, Biswajit; Bharty, A.; Butcher, R. J; Wikaira, Jan L.","Ag(I), Cu(II), Co(III), Hg(II) complexes and metal assisted products derived from 4-methyl-piperidine-carbodithioate: Synthesis, structures, thermal analysis, redox behaviour and fluorescence properties","RSC Advances","2016","6","96","93867","93880","10.1039/C6RA15186H","","","1.54184","CuKα","","0.0647","0.0508","","","0.1305","0.1448","","","","","","1.011","","","","has coordinates,has disorder","264413","2021-04-22","12:43:39",""
"7226584","8.4525","0.0003","18.6204","0.0006","12.1412","0.0004","90","","106.579","0.004","90","","1831.45","0.11","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H24 Cu N2 S4 -","- C14 H24 Cu N2 S4 -","- C56 H96 Cu4 N8 S16 -","4","1","","Bharty, M. K.; Nath, Paras; Singh, Nand Kishor; Maiti, Biswajit; Bharty, A.; Butcher, R. J; Wikaira, Jan L.","Ag(I), Cu(II), Co(III), Hg(II) complexes and metal assisted products derived from 4-methyl-piperidine-carbodithioate: Synthesis, structures, thermal analysis, redox behaviour and fluorescence properties","RSC Advances","2016","6","96","93867","93880","10.1039/C6RA15186H","","","1.54184","CuKα","","0.0582","0.0563","","","0.1541","0.157","","","","","","1.076","","","","has coordinates","264413","2021-04-22","12:43:39",""
"7226585","10.464","0.0004","12.0162","0.0005","13.1846","0.0005","83.78","0.003","86.014","0.003","75.659","0.004","1595.12","0.11","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H35 Eu N4 O12 -","- C28 H35 Eu N4 O12 -","- C56 H70 Eu2 N8 O24 -","2","1","","Qian, Jinjie; Yu, Panpan; Huang, Shaoming","A microporous europium‒organic framework anchored with open ‒COOH groups for selective cation sensing","CrystEngComm","2016","18","41","7955","","10.1039/C6CE01801G","","","0.71073","MoKα","","0.035","0.0305","","","0.0672","0.0697","","","","","","1.036","","","","has coordinates","188076","2020-10-21","18:00:00",""
"7226586","10.4702","0.0004","12.0131","0.0005","13.1765","0.0006","83.827","0.004","85.92","0.004","75.686","0.004","1594.86","0.12","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H20 Eu N2 O10 -","- C22 H20 Eu N2 O10 -","- C44 H40 Eu2 N4 O20 -","2","1","","Qian, Jinjie; Yu, Panpan; Huang, Shaoming","A microporous europium‒organic framework anchored with open ‒COOH groups for selective cation sensing","CrystEngComm","2016","18","41","7955","","10.1039/C6CE01801G","","","1.54184","CuKα","","0.0292","0.0278","","","0.0725","0.0731","","","","","","1.044","","","","has coordinates","188076","2020-10-21","18:00:00",""
"7226587","8.3723","0.0005","10.0412","0.0005","15.094","0.0008","90","","90","","90","","1268.92","0.12","180.15","","180.15","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C5 H5 Br I3 N Pb -","- C5 H5 Br I3 N Pb -","- C20 H20 Br4 I12 N4 Pb4 -","4","1","","Gómez, Verónica; Fuhr, Olaf; Ruben, Mario","Structural diversity in substituted-pyridinium iodo- and bromoplumbates: a matter of halide and temperature","CrystEngComm","2016","18","42","8207","","10.1039/C6CE01684G","","x-ray","0.71073","MoKα","","0.054","0.053","","","0.1298","0.1312","","","","","","1.1","","","","has coordinates","188108","2020-10-21","18:00:00",""
"7226588","23.01","0.002","9.6665","0.0007","11.1481","0.0012","90","","107.617","0.008","90","","2363.3","0.4","180.15","","180.15","","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- C20 H20 Br4 I10 N4 Pb3 -","- C20 H20 Br4 I10 N4 Pb3 -","- C40 H40 Br8 I20 N8 Pb6 -","2","0.25","","Gómez, Verónica; Fuhr, Olaf; Ruben, Mario","Structural diversity in substituted-pyridinium iodo- and bromoplumbates: a matter of halide and temperature","CrystEngComm","2016","18","42","8207","","10.1039/C6CE01684G","","x-ray","0.71073","MoKα","","0.0245","0.0232","","","0.0559","0.0564","","","","","","1.124","","","","has coordinates,has disorder","188108","2020-10-21","18:00:00",""
"7226589","12.1436","0.0014","8.7824","0.0006","9.4776","0.0011","90","","99.676","0.009","90","","996.41","0.18","180.15","","180.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C10 H10 Br2 I4 N2 Pb -","- C10 H10 Br2 I4 N2 Pb -","- C20 H20 Br4 I8 N4 Pb2 -","2","0.5","","Gómez, Verónica; Fuhr, Olaf; Ruben, Mario","Structural diversity in substituted-pyridinium iodo- and bromoplumbates: a matter of halide and temperature","CrystEngComm","2016","18","42","8207","","10.1039/C6CE01684G","","","0.71073","MoKα","","0.0782","0.0683","","","0.1872","0.2024","","","","","","1.051","","","","has coordinates","188108","2020-10-21","18:00:00",""
"7226590","12.0812","0.0011","22.6","0.002","8.8122","0.0008","90","","102.175","0.007","90","","2351.9","0.4","180.15","","180.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C20 H20 Br4 I10 N4 Pb3 -","- C20 H20 Br4 I10 N4 Pb3 -","- C40 H40 Br8 I20 N8 Pb6 -","2","0.5","","Gómez, Verónica; Fuhr, Olaf; Ruben, Mario","Structural diversity in substituted-pyridinium iodo- and bromoplumbates: a matter of halide and temperature","CrystEngComm","2016","18","42","8207","","10.1039/C6CE01684G","","x-ray","0.71073","MoKα","","0.136","0.08","","","0.1879","0.214","","","","","","0.978","","","","has coordinates,has disorder","188108","2020-10-21","18:00:00",""
"7226591","11.0224","0.0007","14.7278","0.0007","8.0001","0.0005","90","","100.14","0.005","90","","1278.42","0.13","180.15","","180.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C5 H5 Cl I3 N Pb -","- C5 H5 Cl I3 N Pb -","- C20 H20 Cl4 I12 N4 Pb4 -","4","1","","Gómez, Verónica; Fuhr, Olaf; Ruben, Mario","Structural diversity in substituted-pyridinium iodo- and bromoplumbates: a matter of halide and temperature","CrystEngComm","2016","18","42","8207","","10.1039/C6CE01684G","","x-ray","0.71073","MoKα","","0.0309","0.0277","","","0.07","0.0717","","","","","","1.07","","","","has coordinates","188108","2020-10-21","18:00:00",""
"7226592","20.9773","0.001","8.314","0.0003","14.4916","0.0008","90","","90","","90","","2527.4","0.2","180.15","","180.15","","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C5 H5 Cl I3 N Pb -","- C5 H5 Cl I3 N Pb -","- C40 H40 Cl8 I24 N8 Pb8 -","8","2","","Gómez, Verónica; Fuhr, Olaf; Ruben, Mario","Structural diversity in substituted-pyridinium iodo- and bromoplumbates: a matter of halide and temperature","CrystEngComm","2016","18","42","8207","","10.1039/C6CE01684G","","x-ray","0.71073","MoKα","","0.0409","0.026","","","0.0452","0.0474","","","","","","0.871","","","","has coordinates","188108","2020-10-21","18:00:00",""
"7226593","8.6645","0.0004","22.3952","0.001","12.1729","0.0005","90","","103.179","0.003","90","","2299.86","0.18","180.15","","180.15","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C20 H20 Cl4 I10 N4 Pb3 -","- C20 H20 Cl4 I10 N4 Pb3 -","- C40 H40 Cl8 I20 N8 Pb6 -","2","1","","Gómez, Verónica; Fuhr, Olaf; Ruben, Mario","Structural diversity in substituted-pyridinium iodo- and bromoplumbates: a matter of halide and temperature","CrystEngComm","2016","18","42","8207","","10.1039/C6CE01684G","","","0.71073","MoKα","","0.0953","0.0872","","","0.215","0.2238","","","","","","1.048","","","","has coordinates","188108","2020-10-21","18:00:00",""
"7226594","14.9503","0.001","8.0231","0.0006","21.786","0.002","90","","90","","90","","2613.2","0.4","180.15","","180.15","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C6 H8 I3 N Pb -","- C6 H8 I3 N Pb -","- C48 H64 I24 N8 Pb8 -","8","1","","Gómez, Verónica; Fuhr, Olaf; Ruben, Mario","Structural diversity in substituted-pyridinium iodo- and bromoplumbates: a matter of halide and temperature","CrystEngComm","2016","18","42","8207","","10.1039/C6CE01684G","","x-ray","0.71073","MoKα","","0.0281","0.0187","","","0.0348","0.0365","","","","","","0.929","","","","has coordinates","188108","2020-10-21","18:00:00",""
"7226595","7.9441","0.0006","10.5453","0.0003","15.663","0.0006","90","","90","","90","","1312.14","0.12","180.15","","180.15","","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C6 H8 I3 N Pb -","- C6 H8 I3 N Pb -","- C24 H32 I12 N4 Pb4 -","4","0.5","","Gómez, Verónica; Fuhr, Olaf; Ruben, Mario","Structural diversity in substituted-pyridinium iodo- and bromoplumbates: a matter of halide and temperature","CrystEngComm","2016","18","42","8207","","10.1039/C6CE01684G","","x-ray","0.71073","MoKα","","0.0326","0.0256","","","0.0613","0.0635","","","","","","0.975","","","","has coordinates,has disorder","188108","2020-10-21","18:00:00",""
"7226596","9.1279","0.0006","8.0558","0.0004","15.7073","0.0011","90","","103.014","0.006","90","","1125.33","0.12","180.15","","180.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C5 H5 Br4 N Pb -","- C5 H5 Br4 N Pb -","- C20 H20 Br16 N4 Pb4 -","4","1","","Gómez, Verónica; Fuhr, Olaf; Ruben, Mario","Structural diversity in substituted-pyridinium iodo- and bromoplumbates: a matter of halide and temperature","CrystEngComm","2016","18","42","8207","","10.1039/C6CE01684G","","","0.71073","MoKα","","0.0435","0.0383","","","0.0927","0.0948","","","","","","0.994","","","","has coordinates","188108","2020-10-21","18:00:00",""
"7226597","8.2011","0.0005","24.015","0.002","9.0459","0.0005","90","","90","","90","","1781.6","0.2","180.15","","180.15","","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C10 H10 Br6 N2 Pb -","- C10 H10 Br6 N2 Pb -","- C40 H40 Br24 N8 Pb4 -","4","0.5","","Gómez, Verónica; Fuhr, Olaf; Ruben, Mario","Structural diversity in substituted-pyridinium iodo- and bromoplumbates: a matter of halide and temperature","CrystEngComm","2016","18","42","8207","","10.1039/C6CE01684G","","x-ray","0.71073","MoKα","","0.1123","0.0805","","","0.1887","0.204","","","","","","0.955","","","","has coordinates","188108","2020-10-21","18:00:00",""
"7226598","20.1312","0.0007","8.0508","0.0003","13.6068","0.0007","90","","90","","90","","2205.28","0.16","180.15","","180.15","","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C5 H5 Br4 N Pb -","- C5 H5 Br4 N Pb -","- C40 H40 Br32 N8 Pb8 -","8","2","","Gómez, Verónica; Fuhr, Olaf; Ruben, Mario","Structural diversity in substituted-pyridinium iodo- and bromoplumbates: a matter of halide and temperature","CrystEngComm","2016","18","42","8207","","10.1039/C6CE01684G","","x-ray","0.71073","MoKα","","0.0315","0.0273","","","0.0642","0.0656","","","","","","1.022","","","","has coordinates","188108","2020-10-21","18:00:00",""
"7226599","19.8954","0.0018","8.0101","0.0006","13.5899","0.0012","90","","90","","90","","2165.7","0.3","180.15","","180.15","","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C5 H5 Br3 Cl N Pb -","- C5 H5 Br3 Cl N Pb -","- C40 H40 Br24 Cl8 N8 Pb8 -","8","2","","Gómez, Verónica; Fuhr, Olaf; Ruben, Mario","Structural diversity in substituted-pyridinium iodo- and bromoplumbates: a matter of halide and temperature","CrystEngComm","2016","18","42","8207","","10.1039/C6CE01684G","","x-ray","0.71073","MoKα","","0.0461","0.031","","","0.0651","0.069","","","","","","0.936","","","","has coordinates","188108","2020-10-21","18:00:00",""
"7226600","9.2804","0.0007","8.029","0.0004","15.4764","0.0012","90","","103.89","0.006","90","","1119.46","0.14","180.15","","180.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C6 H8 Br3 N Pb -","- C6 H8 Br3 N Pb -","- C24 H32 Br12 N4 Pb4 -","4","1","","Gómez, Verónica; Fuhr, Olaf; Ruben, Mario","Structural diversity in substituted-pyridinium iodo- and bromoplumbates: a matter of halide and temperature","CrystEngComm","2016","18","42","8207","","10.1039/C6CE01684G","","x-ray","0.71073","MoKα","","0.0397","0.024","","","0.0441","0.0466","","","","","","0.877","","","","has coordinates","188108","2020-10-21","18:00:00",""
"7226601","13.842","0.003","7.74","0.0015","21.22","0.004","90","","90","","90","","2273.4","0.8","180.15","","180.15","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C6 H8 Br3 N Pb -","- C6 H8 Br3 N Pb -","- C48 H64 Br24 N8 Pb8 -","8","1","","Gómez, Verónica; Fuhr, Olaf; Ruben, Mario","Structural diversity in substituted-pyridinium iodo- and bromoplumbates: a matter of halide and temperature","CrystEngComm","2016","18","42","8207","","10.1039/C6CE01684G","","","0.71073","MoKα","","0.0322","0.022","","","0.0454","0.0477","","","","","","0.934","","","","has coordinates","188108","2020-10-21","18:00:00",""
"7226602","18.7062","0.0012","8.1149","0.0005","28.815","0.002","90","","106.281","0.007","90","","4198.7","0.5","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C27 H22 N2 O -","- C27 H22 N2 O -","- C216 H176 N16 O8 -","8","1","","Mishra, Pawan K.; Verma, Akhilesh K.","Metal-free regioselective tandem synthesis of diversely substituted benzimidazo-fused polyheterocycles in aqueous medium","Green Chem.","2016","18","23","6367","","10.1039/C6GC02330D","","x-ray","0.71073","MoKα","","0.1113","0.0634","","","0.1215","0.1453","","","","","","1.06","","","","has coordinates","190223","2020-10-21","18:00:00",""
"7226603","24.6455","0.0008","10.5901","0.0004","7.9658","0.0002","90","","106.662","0.002","90","","1991.77","0.11","120","2","120","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","bis[8-(methylselanyl)naphthyl] 1,1'-diselenide","","- C22 H18 Se4 -","- C22 H18 Se4 -","- C88 H72 Se16 -","4","0.5","","Nakanishi, Waro; Tsubomoto, Yutaka; HAYASHI, Satoko","Nature of S2Se2σ(4c−6e) at naphthalene 1,8-positions and models, elucidated by QTAIM dual functional analysis","RSC Adv.","2016","","","","","10.1039/C6RA17767K","","","0.71073","MoKα","","0.0238","0.0201","","","0.0423","0.0437","","","","","","1.08","","","","has coordinates","186709","2020-10-21","18:00:00",""
"7226604","8.0476","0.0005","8.1366","0.0005","23.2624","0.0014","90","","94.493","0.002","90","","1518.54","0.16","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H19 N O2 -","- C19 H19 N O2 -","- C76 H76 N4 O8 -","4","1","","Huang, Sheng-Han; Shih, Yu-Wei; Huang, Wen-Tse; Li, Deng-Hong; Yang, Te-Fang","Tandem additions of 3,4-dihydroisoquinolines to γ-hydroxy -α,β-unsaturated ketones: a green and new access to oxazolo[2,3-a]tetrahydroisoquinolines","RSC Adv.","2016","","","","","10.1039/C6RA20708A","","x-ray","0.71073","MoKα","","0.0496","0.042","","","0.1093","0.1178","","","","","","1.044","","","","has coordinates","186710","2020-10-21","18:00:00",""
"7226605","5.6823","0.0004","7.0109","0.0005","21.9839","0.0017","90","","93.665","0.007","90","","874","0.11","150","2","150","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C21 H23 N O3 -","- C21 H23 N O3 -","- C42 H46 N2 O6 -","2","1","","Huang, Sheng-Han; Shih, Yu-Wei; Huang, Wen-Tse; Li, Deng-Hong; Yang, Te-Fang","Tandem additions of 3,4-dihydroisoquinolines to γ-hydroxy -α,β-unsaturated ketones: a green and new access to oxazolo[2,3-a]tetrahydroisoquinolines","RSC Adv.","2016","","","","","10.1039/C6RA20708A","","x-ray","0.71073","MoKα","","0.2153","0.2032","","","0.5003","0.5222","","","","","","1.818","","","","has coordinates","186710","2020-10-21","18:00:00",""
"7226606","10.998","0.0005","7.5779","0.0003","38.7212","0.0013","90","","90","","90","","3227.1","0.2","200","2","200","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C19 H18 Br N O2 -","- C19 H18 Br N O2 -","- C152 H144 Br8 N8 O16 -","8","1","","Huang, Sheng-Han; Shih, Yu-Wei; Huang, Wen-Tse; Li, Deng-Hong; Yang, Te-Fang","Tandem additions of 3,4-dihydroisoquinolines to γ-hydroxy -α,β-unsaturated ketones: a green and new access to oxazolo[2,3-a]tetrahydroisoquinolines","RSC Adv.","2016","","","","","10.1039/C6RA20708A","","","1.54178","CuKα","","0.0718","0.0473","","","0.1262","0.1514","","","","","","0.934","","","","has coordinates","186710","2020-10-21","18:00:00",""
"7226607","12.7974","0.001","21.2232","0.0016","22.6373","0.0015","90","","90.014","0.002","90","","6148.3","0.8","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C39 H30 N4 O3 -","- C39 H30 N4 O3 -","- C312 H240 N32 O24 -","8","2","","Sun, Shichao; Shu, Qinghai; Lin, Pengchao; Li, Yanyue; Jin, Shaohua; Chen, Xin; Wang, De-Quan","Triphenylamine based lab-on-a-molecule for the highly selective and sensitive detection of Zn2+ and CN- in aqueous solution","RSC Adv.","2016","","","","","10.1039/C6RA17354C","","","0.71073","MoKα","","0.1494","0.1117","","","0.2994","0.333","","","","","","1.027","","","","has coordinates","186711","2020-10-21","18:00:00",""
"7226608","22.268","","8.67","","7.99","","90","","95.1","","90","","1536.47","","120","","120","","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","","Acetone","Acetone","- C3 O -","- C3 O -","- C48 O16 -","16","4","","Ferrer, P.; da Silva, I.; Puente-Orench, I.","Solid acetone structure dependence on pressure: a new fibre textured thin film crystallographic structure studied by grazing-incidence X-ray diffraction","CrystEngComm","2016","18","42","8220","","10.1039/C6CE01333C","powder diffraction","x-ray","0.826","synchrotron","","","","","","","","","","","","","","","","","has coordinates","188107","2020-10-21","18:00:00",""
"7226609","21.8891","0.0018","9.107","0.0008","32.038","0.003","90","","124.121","0.002","90","","5287.2","0.8","298","2","298","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C42 H26 N2 O8 Tb -","- C42 H26 N2 O8 Tb -","- C168 H104 N8 O32 Tb4 -","4","1","","Yao, Qingxia; Fan, Yerong; Wang, Zhan; Duan, Wenzeng; Wang, Suna; Li, Yunwu; Li, Dacheng; Zhang, Qingfu; Du, Yuchang; Dou, Jianmin","Coexistence of self- and interpenetration in two (3,6)-connected porous coordination polymers","CrystEngComm","2016","18","44","8574","","10.1039/C6CE01705C","","","0.71073","MoKα","","0.1024","0.0548","","","0.0992","0.1051","","","","","","1.01","","","","has coordinates,has disorder","190090","2020-10-21","18:00:00",""
"7226610","20.4117","0.0019","7.2937","0.0008","6.2","0.0005","90","","97.731","0.003","90","","914.65","0.15","200","2","200","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","furan/phenylene co-oligomer BPFB","1,4-bis(5-phenylfuran-2-yl)benzene","","- C26 H18 O2 -","- C26 H18 O2 -","- C52 H36 O4 -","2","0.5","","Kazantsev, Maxim S.; Frantseva, Ekaterina Sergeevna; Kudryashova, Ludmila Gennadievna; Konstantinov, Vladislav Georgievich; Mannanov, Artur Amirovich; Rybalova, T. V.; Karpova, Elena Viktorovna; Shundrina, Inna; Kamaev, Gennadiy Nikolayevich; Pshenischnikov, Maxim; Mostovich, Evgeny A.; Paraschuk, Dmitry","Highly-Emissive Solution-Grown Furan/Phenylene Co-Oligomer Single Crystals","RSC Adv.","2016","","","","","10.1039/C6RA23160H","","","0.71073","MoKα","","0.0589","0.0369","","","0.098","0.1237","","","","","","1.186","","","","has coordinates","186737","2020-10-21","18:00:00",""
"7226611","11.935","0.001","19.752","0.001","8.362","0.001","90","","99.27","0.01","90","","1945.5","0.3","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","1,4,7,10,13-Pentaoxa-16,19-dithiacycloheneicos-17-ene-17,18-dicarbonitrile","","- C16 H24 N2 O5 S2 -","- C16 H24 N2 O5 S2 -","- C64 H96 N8 O20 S8 -","4","1","","Shao, Jiang-Yang; Li, Dongmei; Tang, Kun; Zhong, Yu-Wu; Meng, Qingbo","Simple Biphenyl or Carbazole Derivatives with Four Di(anisyl)amino Substituents as Efficient Hole-Transporting Materials for Perovskite Solar Cells","RSC Adv.","2016","","","","","10.1039/C6RA20614J","","","0.71073","MoKα","","0.0521","0.0426","","0.112","0.1038","","","","1.038","1.062","1.062","","","","","has coordinates","186738","2020-10-21","18:00:00",""
"7226612","23.6442","0.0012","4.2788","0.0002","14.2732","0.0007","90","","90.614","0.004","90","","1443.92","0.12","293","2","293","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C16 H12 Cl N O2 S -","- C16 H12 Cl N O2 S -","- C64 H48 Cl4 N4 O8 S4 -","4","1","","Parthiban, C.; Ciattini, Samuele; Chelazzi, Laura; Elango, Kuppanagounder P.","Selective colorimetric sensing of fluoride in an aqueous solution by amino-naphthoquinone and its Co(ii), Ni(ii), Cu(ii) and Zn(ii) complexes ‒ effect of complex formation on sensing behaviour","RSC Adv.","2016","6","94","91265","","10.1039/C6RA19309A","","x-ray","0.71073","MoKα","","0.0586","0.0453","","","","0.1254","","","","","","1.042","","","","has coordinates","186764","2020-10-21","18:00:00",""
"7226613","17.5783","0.0003","22.7463","0.0004","25.9258","0.0005","102.255","0.0007","96.1105","0.0007","101.03","0.0007","9825.3","0.3","213","","213","","","","","","","","","9","P 1","P 1","1","","","","- C42.5 H114.3 K1.2 La N8.5 Na2 O110 P2 W22 -","- C32.5 K0.666667 La N6.5 O102.833 P2 W22 -","- C97.5 K2 La3 N19.5 O308.5 P6 W66 -","3","3","","Iijima, Jun; Naruke, Haruo; Sanji, Takanobu","On chirality induction in the crystalline solid-containing sandwich-type [Ln(α-PW11O39)2]11−polyoxotungstate and proline","RSC Adv.","2016","6","94","91494","","10.1039/C6RA22278A","","","0.71075","MoKα","","0.0661","0.0563","","","0.1366","0.1433","","","","","","1.044","","","","has coordinates","186765","2020-10-21","18:00:00",""
"7226614","12.826","0.0005","13.3186","0.0005","19.8495","0.0007","103.758","0.0009","93.0038","0.001","97.6501","0.0009","3251.7","0.2","193","","193","","","","","","","","","9","P 1","P 1","1","","","","- C41.5 H115.2 K1.3 N8.3 Na3.2 Nd O111.6 P2 W22 -","- C17.5 K N3.5 Na Nd O98 P2 W22 -","- C17.5 K N3.5 Na Nd O98 P2 W22 -","1","1","","Iijima, Jun; Naruke, Haruo; Sanji, Takanobu","On chirality induction in the crystalline solid-containing sandwich-type [Ln(α-PW11O39)2]11−polyoxotungstate and proline","RSC Adv.","2016","6","94","91494","","10.1039/C6RA22278A","","","0.71075","MoKα","","0.0402","0.0377","","","0.095","0.0974","","","","","","1.044","","","","has coordinates","186766","2020-10-21","18:00:00",""
"7226615","12.8341","0.0003","13.2819","0.0003","19.7712","0.0004","103.714","0.0008","93.0424","0.0007","97.6039","0.0007","3232.85","0.12","213","","213","","","","","","","","","9","P 1","P 1","1","","","","- C41.5 H122.2 K1.3 N8.3 Na3.2 O115.1 P2 Sm W22 -","- C18 K N3.5 Na1.5 O96 P2 Sm W22 -","- C18 K N3.5 Na1.5 O96 P2 Sm W22 -","1","1","","Iijima, Jun; Naruke, Haruo; Sanji, Takanobu","On chirality induction in the crystalline solid-containing sandwich-type [Ln(α-PW11O39)2]11−polyoxotungstate and proline","RSC Adv.","2016","6","94","91494","","10.1039/C6RA22278A","","","0.71075","MoKα","","0.0476","0.0455","","","0.1216","0.1237","","","","","","1.067","","","","has coordinates","186766","2020-10-21","18:00:00",""
"7226616","17.4826","","22.6885","","25.8377","","102.26","","96.378","","100.699","","9719.15","","213","","213","","","","","","","","","9","P 1","P 1","1","","","","- C42.5 H120.3 Eu K1.2 N8 Na2 O113 P2 W22 -","- C26.6667 Eu K1.2 N5.33333 O96.3333 P2 W22 -","- C80 Eu3 K3.6 N16 O289 P6 W66 -","3","3","","Iijima, Jun; Naruke, Haruo; Sanji, Takanobu","On chirality induction in the crystalline solid-containing sandwich-type [Ln(α-PW11O39)2]11−polyoxotungstate and proline","RSC Adv.","2016","6","94","91494","","10.1039/C6RA22278A","","","0.71075","MoKα","","0.069","0.0539","","","0.1275","0.1367","","","","","","1.057","","","","has coordinates","186766","2020-10-21","18:00:00",""
"7226617","12.8744","0.0006","13.3048","0.0007","19.7946","0.0009","103.687","0.0013","93.1594","0.0011","97.526","0.0013","3252.9","0.3","213","","213","","","","","","","","","9","P 1","P 1","1","","","","- C41.5 H133.2 Gd K1.3 N8.3 Na3.2 O120.6 P2 W22 -","- C17.5 Gd K N3.5 Na1.5 O98.5 P2 W22 -","- C17.5 Gd K N3.5 Na1.5 O98.5 P2 W22 -","1","1","","Iijima, Jun; Naruke, Haruo; Sanji, Takanobu","On chirality induction in the crystalline solid-containing sandwich-type [Ln(α-PW11O39)2]11−polyoxotungstate and proline","RSC Adv.","2016","6","94","91494","","10.1039/C6RA22278A","","","0.71075","MoKα","","0.0771","0.0635","","","0.16","0.1719","","","","","","1.044","","","","has coordinates","186766","2020-10-21","18:00:00",""
"7226618","12.8558","0.0004","13.2973","0.0004","19.7631","0.0007","103.706","0.0009","92.9304","0.001","97.5649","0.0009","3241.77","0.18","213","","213","","","","","","","","","9","P 1","P 1","1","","","","- C41.5 H118.2 K1.3 N8.3 Na3.2 O113.1 P2 Tb W22 -","- C20 K N4 Na0.5 O94 P2 Tb W22 -","- C20 K N4 Na0.5 O94 P2 Tb W22 -","1","1","","Iijima, Jun; Naruke, Haruo; Sanji, Takanobu","On chirality induction in the crystalline solid-containing sandwich-type [Ln(α-PW11O39)2]11−polyoxotungstate and proline","RSC Adv.","2016","6","94","91494","","10.1039/C6RA22278A","","","0.71075","MoKα","","0.0548","0.0492","","","0.1196","0.124","","","","","","1.039","","","","has coordinates","186766","2020-10-21","18:00:00",""
"7226619","12.8751","0.0006","13.3","0.0007","19.7296","0.001","103.88","0.0013","92.7303","0.0012","97.6425","0.0013","3239.6","0.3","213","","213","","","","","","","","","9","P 1","P 1","1","","","","- C41.5 H117.2 Dy K1.3 N8.3 Na3.2 O112.6 P2 W22 -","- C12.5 Dy K N2.5 Na0.5 O95 P2 W22 -","- C12.5 Dy K N2.5 Na0.5 O95 P2 W22 -","1","1","","Iijima, Jun; Naruke, Haruo; Sanji, Takanobu","On chirality induction in the crystalline solid-containing sandwich-type [Ln(α-PW11O39)2]11−polyoxotungstate and proline","RSC Adv.","2016","6","94","91494","","10.1039/C6RA22278A","","","0.71075","MoKα","","0.0814","0.071","","","0.1931","0.2111","","","","","","1.113","","","","has coordinates","186766","2020-10-21","18:00:00",""
"7226620","12.841","0.0004","13.2876","0.0004","19.8313","0.0006","103.579","0.0009","93.9442","0.0008","97.6353","0.0009","3242.39","0.17","213","","213","","","","","","","","","9","P 1","P 1","1","","","","- C41.5 H109.2 Er K1.3 N8.3 Na3.2 O108.6 P2 W22 -","- C20 Er K N4 Na2 O100.5 P2 W22 -","- C20 Er K N4 Na2 O100.5 P2 W22 -","1","1","","Iijima, Jun; Naruke, Haruo; Sanji, Takanobu","On chirality induction in the crystalline solid-containing sandwich-type [Ln(α-PW11O39)2]11−polyoxotungstate and proline","RSC Adv.","2016","6","94","91494","","10.1039/C6RA22278A","","","0.71075","MoKα","","0.0435","0.0413","","","0.1071","0.1087","","","","","","1.064","","","","has coordinates","186766","2020-10-21","18:00:00",""
"7226621","12.8257","0.0004","13.2693","0.0004","19.832","0.0006","103.605","0.0009","93.8931","0.0009","97.6665","0.001","3233.83","0.17","203","","203","","","","","","","","","9","P 1","P 1","1","","","","- C41.5 H119.2 K1.3 N8.3 Na3.2 O113.6 P2 Tm W22 -","- C20 K N4 Na O102.5 P2 Tm W22 -","- C20 K N4 Na O102.5 P2 Tm W22 -","1","1","","Iijima, Jun; Naruke, Haruo; Sanji, Takanobu","On chirality induction in the crystalline solid-containing sandwich-type [Ln(α-PW11O39)2]11−polyoxotungstate and proline","RSC Adv.","2016","6","94","91494","","10.1039/C6RA22278A","","","0.71075","MoKα","","0.0386","0.0365","","","0.0899","0.092","","","","","","1.037","","","","has coordinates","186766","2020-10-21","18:00:00",""
"7226622","12.8441","0.0003","13.2571","0.0003","19.6876","0.0004","103.795","0.0007","93.0243","0.0007","97.5524","0.0007","3215.05","0.12","213","","213","","","","","","","","","9","P 1","P 1","1","","","","- C41.5 H115.2 K1.3 N8.3 Na3.2 O111.6 P2 W22 Yb -","- C20 K N4 Na O98.5 P2 W22 Yb -","- C20 K N4 Na O98.5 P2 W22 Yb -","1","1","","Iijima, Jun; Naruke, Haruo; Sanji, Takanobu","On chirality induction in the crystalline solid-containing sandwich-type [Ln(α-PW11O39)2]11−polyoxotungstate and proline","RSC Adv.","2016","6","94","91494","","10.1039/C6RA22278A","","","0.71075","MoKα","","0.041","0.04","","","0.1059","0.1069","","","","","","1.069","","","","has coordinates","186766","2020-10-21","18:00:00",""
"7226623","12.8442","0.0006","13.2756","0.0006","19.7854","0.0009","103.646","0.0012","93.522","0.0012","97.6179","0.0012","3234.4","0.3","193","","193","","","","","","","","","9","P 1","P 1","1","","","","- C41.5 H105.2 K1.3 N8.3 Na3.2 O106 P2 W22 Y -","- C20 K N4 Na O101.5 P2 W22 Y -","- C20 K N4 Na O101.5 P2 W22 Y -","1","1","","Iijima, Jun; Naruke, Haruo; Sanji, Takanobu","On chirality induction in the crystalline solid-containing sandwich-type [Ln(α-PW11O39)2]11−polyoxotungstate and proline","RSC Adv.","2016","6","94","91494","","10.1039/C6RA22278A","","","0.71075","MoKα","","0.0569","0.0517","","","0.1279","0.1327","","","","","","1.058","","","","has coordinates","186766","2020-10-21","18:00:00",""
"7226624","7.3983","0.0009","7.6242","0.0009","11.7823","0.0014","90","","94.006","0.002","90","","662.97","0.14","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C6 H2 N10 O10 -","- C6 H2 N10 O10 -","- C12 H4 N20 O20 -","2","0.5","","Tang, Yongxing; Gao, Haixiang; Imler, Gregory H.; Parrish, Damon A.; Shreeve, Jean'ne M.","Energetic dinitromethyl group functionalized azofurazan and its azofurazanates","RSC Adv.","2016","6","94","91477","","10.1039/C6RA22007J","","","0.71073","MoKα","","0.0706","0.0418","","","0.0811","0.0903","","","","","","1.043","","","","has coordinates","186767","2020-10-21","18:00:00",""
"7226625","7.2868","0.0005","7.7602","0.0005","12.5498","0.0008","90","","90.952","0.001","90","","709.56","0.08","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C6 F2 N10 O10 -","- C6 F2 N10 O10 -","- C12 F4 N20 O20 -","2","0.5","","Tang, Yongxing; Gao, Haixiang; Imler, Gregory H.; Parrish, Damon A.; Shreeve, Jean'ne M.","Energetic dinitromethyl group functionalized azofurazan and its azofurazanates","RSC Adv.","2016","6","94","91477","","10.1039/C6RA22007J","","","0.71073","MoKα","","0.0316","0.0298","","","0.0768","0.0783","","","","","","1.044","","","","has coordinates","186767","2020-10-21","18:00:00",""
"7226626","18.4148","0.0009","29.5574","0.0015","16.3155","0.0008","90","","119.269","0.001","90","","7746.7","0.7","296.15","","296.15","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C104 H66 Cd6 N2 Na6 O51 -","- C104 H66 Cd6 N2 Na6 O51 -","- C208 H132 Cd12 N4 Na12 O102 -","2","0.25","","Wang, Kangcai; Liu, Tianlin; Liu, Yuji; Tian, Xin; Sun, Jie; Zhang, Qinghua","Fluorescent heterometallic MOFs: tunable framework charges and application for explosives detection","CrystEngComm","2016","18","42","8301","","10.1039/C6CE01818A","","","0.71073","MoKα","","0.0552","0.0406","","","0.1128","0.1234","","","","","","1.025","","","","has coordinates","188102","2020-10-21","18:00:00",""
"7226627","18.9895","0.0013","28.481","0.002","16.9587","0.0018","90","","119.896","0.002","90","","7951.4","1.2","100","2","100.15","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C96 H48 Cd6 K2 Na4 O51 -","- C96 H48 Cd6 K2 Na4 O51 -","- C192 H96 Cd12 K4 Na8 O102 -","2","0.25","","Wang, Kangcai; Liu, Tianlin; Liu, Yuji; Tian, Xin; Sun, Jie; Zhang, Qinghua","Fluorescent heterometallic MOFs: tunable framework charges and application for explosives detection","CrystEngComm","2016","18","42","8301","","10.1039/C6CE01818A","","","0.71073","MoKα","","0.0899","0.0549","","","0.1456","0.1707","","","","","","1.048","","","","has coordinates","188102","2020-10-21","18:00:00",""
"7226628","19.2145","0.0017","26.4088","0.0017","17.7174","0.0012","90","","118.431","0.002","90","","7906.1","1","296.15","","296.15","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C63 H49 Cd3 K3 N4 O29 -","- C63 H49 Cd3 K3 N4 O29 -","- C252 H196 Cd12 K12 N16 O116 -","4","0.5","","Wang, Kangcai; Liu, Tianlin; Liu, Yuji; Tian, Xin; Sun, Jie; Zhang, Qinghua","Fluorescent heterometallic MOFs: tunable framework charges and application for explosives detection","CrystEngComm","2016","18","42","8301","","10.1039/C6CE01818A","","","0.71073","MoKα","","0.0979","0.0697","","","0.1629","0.1934","","","","","","1.072","","","","has coordinates,has disorder","188102","2020-10-21","18:00:00",""
"7226629","18.5166","0.0007","29.4652","0.0008","16.385","0.0004","90","","119.388","0.003","90","","7789.2","0.5","294.39","","294.39","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C104 H66 Cd6 Mg6 N2 O57 -","- C104 H66 Cd6 Mg6 N2 O57 -","- C208 H132 Cd12 Mg12 N4 O114 -","2","0.25","","Wang, Kangcai; Liu, Tianlin; Liu, Yuji; Tian, Xin; Sun, Jie; Zhang, Qinghua","Fluorescent heterometallic MOFs: tunable framework charges and application for explosives detection","CrystEngComm","2016","18","42","8301","","10.1039/C6CE01818A","","","1.54178","CuKα","","0.0836","0.0624","","","0.1628","0.1829","","","","","","1.031","","","","has coordinates","188102","2020-10-21","18:00:00",""
"7226630","19.999","0.0011","18.6284","0.0011","35.123","0.002","90","","90","","90","","13085.1","1.3","296","2","296","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C76 H67 Ca2 Cd4 N5 O35 -","- C76 H67 Ca2 Cd4 N5 O35 -","- C304 H268 Ca8 Cd16 N20 O140 -","4","1","","Wang, Kangcai; Liu, Tianlin; Liu, Yuji; Tian, Xin; Sun, Jie; Zhang, Qinghua","Fluorescent heterometallic MOFs: tunable framework charges and application for explosives detection","CrystEngComm","2016","18","42","8301","","10.1039/C6CE01818A","","","0.71073","MoKα","","0.083","0.0736","","","0.1774","0.1819","","","","","","1.05","","","","has coordinates","188102","2020-10-21","18:00:00",""
"7226631","20.8809","0.001","10.6287","0.0004","16.6021","0.0007","90","","115.3","0.005","90","","3331.2","0.3","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C14 H18 Cd N4 O5 -","- C14 H18 Cd N4 O5 -","- C112 H144 Cd8 N32 O40 -","8","1","","Yang, Jin-Xia; Qin, Ye-Yan; Ye, Run-Ping; Zhang, Xin; Yao, Yuan-Gen","Employing mixed-ligand strategy to construct a series of luminescent Cd(ii) compounds with structural diversities","CrystEngComm","2016","18","42","8309","","10.1039/C6CE01607C","","","0.71073","MoKα","","0.0375","0.0289","","","0.0626","0.0675","","","","","","1.006","","","","has coordinates","188104","2020-10-21","18:00:00",""
"7226632","7.5703","0.0005","7.9467","0.0005","10.1633","0.0007","76.859","0.006","81.936","0.006","68.543","0.006","553.03","0.07","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C7 H11 Cd N3 O6 -","- C7 H11 Cd N3 O6 -","- C14 H22 Cd2 N6 O12 -","2","1","","Yang, Jin-Xia; Qin, Ye-Yan; Ye, Run-Ping; Zhang, Xin; Yao, Yuan-Gen","Employing mixed-ligand strategy to construct a series of luminescent Cd(ii) compounds with structural diversities","CrystEngComm","2016","18","42","8309","","10.1039/C6CE01607C","","","0.71073","MoKα","","0.0256","0.0228","","","0.0546","0.0561","","","","","","1.064","","","","has coordinates","188104","2020-10-21","18:00:00",""
"7226633","9.3607","0.0004","8.3293","0.0004","15.9905","0.001","90","","113.611","0.004","90","","1142.38","0.11","293","2","293","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C10 H13 Cd N2 O4 -","- C10 H13 Cd N2 O4 -","- C40 H52 Cd4 N8 O16 -","4","1","","Yang, Jin-Xia; Qin, Ye-Yan; Ye, Run-Ping; Zhang, Xin; Yao, Yuan-Gen","Employing mixed-ligand strategy to construct a series of luminescent Cd(ii) compounds with structural diversities","CrystEngComm","2016","18","42","8309","","10.1039/C6CE01607C","","","0.71073","MoKα","","0.0453","0.0316","","","0.0796","0.0931","","","","","","1.042","","","","has coordinates","188104","2020-10-21","18:00:00",""
"7226634","5.1689","0.0004","8.3362","0.0007","9.9402","0.0008","102.695","0.007","95.013","0.007","93.047","0.007","415.09","0.06","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H20 Cd N4 O4 -","- C16 H20 Cd N4 O4 -","- C16 H20 Cd N4 O4 -","1","0.5","","Yang, Jin-Xia; Qin, Ye-Yan; Ye, Run-Ping; Zhang, Xin; Yao, Yuan-Gen","Employing mixed-ligand strategy to construct a series of luminescent Cd(ii) compounds with structural diversities","CrystEngComm","2016","18","42","8309","","10.1039/C6CE01607C","","","0.71073","MoKα","","0.0305","0.03","","","0.0697","0.0702","","","","","","1.059","","","","has coordinates","188104","2020-10-21","18:00:00",""
"7226635","17.6907","0.0005","16.1672","0.0004","16.8283","0.0004","90","","90","","90","","4813","0.2","293","2","293","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C18 H34 Cd N4 O7 -","- C18 H34 Cd N4 O7 -","- C144 H272 Cd8 N32 O56 -","8","1","","Yang, Jin-Xia; Qin, Ye-Yan; Ye, Run-Ping; Zhang, Xin; Yao, Yuan-Gen","Employing mixed-ligand strategy to construct a series of luminescent Cd(ii) compounds with structural diversities","CrystEngComm","2016","18","42","8309","","10.1039/C6CE01607C","","","0.71073","MoKα","","0.0786","0.0631","","","0.2166","0.2317","","","","","","1.019","","","","has coordinates","188104","2020-10-21","18:00:00",""
"7226636","8.8482","0.0005","10.5491","0.0005","12.8133","0.0006","86.422","0.004","73.769","0.004","83.139","0.004","1139.58","0.1","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C19 H21 Cd2 N6 O8 -","- C19 H21 Cd2 N6 O8 -","- C38 H42 Cd4 N12 O16 -","2","1","","Yang, Jin-Xia; Qin, Ye-Yan; Ye, Run-Ping; Zhang, Xin; Yao, Yuan-Gen","Employing mixed-ligand strategy to construct a series of luminescent Cd(ii) compounds with structural diversities","CrystEngComm","2016","18","42","8309","","10.1039/C6CE01607C","","","0.71073","MoKα","","0.0349","0.0271","","","0.0566","0.0615","","","","","","1.015","","","","has coordinates","188104","2020-10-21","18:00:00",""
"7226637","28.3889","0.0016","7.3715","0.0005","9.0819","0.0005","90","","92.276","0.005","90","","1899.1","0.2","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C8 H9 Cd N2 O4 -","- C8 H9 Cd N2 O4 -","- C64 H72 Cd8 N16 O32 -","8","1","","Yang, Jin-Xia; Qin, Ye-Yan; Ye, Run-Ping; Zhang, Xin; Yao, Yuan-Gen","Employing mixed-ligand strategy to construct a series of luminescent Cd(ii) compounds with structural diversities","CrystEngComm","2016","18","42","8309","","10.1039/C6CE01607C","","","0.71073","MoKα","","0.0255","0.0232","","","0.0603","0.0622","","","","","","1.025","","","","has coordinates","188104","2020-10-21","18:00:00",""
"7226638","8.3519","0.0003","10.8757","0.0008","18.006","0.001","106.753","0.006","91.98","0.004","94.345","0.004","1558.89","0.16","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H45 Cd N6 O9 -","- C24 H45 Cd N6 O9 -","- C48 H90 Cd2 N12 O18 -","2","1","","Yang, Jin-Xia; Qin, Ye-Yan; Ye, Run-Ping; Zhang, Xin; Yao, Yuan-Gen","Employing mixed-ligand strategy to construct a series of luminescent Cd(ii) compounds with structural diversities","CrystEngComm","2016","18","42","8309","","10.1039/C6CE01607C","","","0.71073","MoKα","","0.0867","0.0663","","","0.1677","0.1858","","","","","","1.054","","","","has coordinates","188104","2020-10-21","18:00:00",""
"7226639","12.403","0.004","19.548","0.007","18.963","0.007","90","","103.787","0.006","90","","4465","3","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C74 H84 Co2 Dy4 N10 O34 -","- C74 H84 Co2 Dy4 N10 O34 -","- C148 H168 Co4 Dy8 N20 O68 -","2","0.5","","Zhang, Haifeng; Liu, Rui; Zhang, Jin; Li, Yahong; Liu, Wei","Chair-like [LnIII4CoIII2] (Ln = Dy, Eu, Gd, Tb) clusters including a [DyIII4CoIII2] single molecule magnet","CrystEngComm","2016","18","42","8246","","10.1039/C6CE01589A","","","0.71073","MoKα","","0.0562","0.0324","","","0.0763","0.085","","","","","","1.018","","","","has coordinates","188105","2020-10-21","18:00:00",""
"7226640","12.4424","0.0019","19.73","0.003","19.024","0.003","90","","104.094","0.002","90","","4529.6","1.2","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C74 H84 Co2 Eu4 N10 O34 -","- C74 H84 Co2 Eu4 N10 O34 -","- C148 H168 Co4 Eu8 N20 O68 -","2","0.5","","Zhang, Haifeng; Liu, Rui; Zhang, Jin; Li, Yahong; Liu, Wei","Chair-like [LnIII4CoIII2] (Ln = Dy, Eu, Gd, Tb) clusters including a [DyIII4CoIII2] single molecule magnet","CrystEngComm","2016","18","42","8246","","10.1039/C6CE01589A","","","0.71073","MoKα","","0.0702","0.0385","","","0.0918","0.1059","","","","","","1.049","","","","has coordinates","188105","2020-10-21","18:00:00",""
"7226641","12.443","0.003","19.742","0.004","19.009","0.004","90","","104.077","0.003","90","","4529.3","1.7","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C74 H84 Co2 Gd4 N10 O34 -","- C74 H84 Co2 Gd4 N10 O34 -","- C148 H168 Co4 Gd8 N20 O68 -","2","0.5","","Zhang, Haifeng; Liu, Rui; Zhang, Jin; Li, Yahong; Liu, Wei","Chair-like [LnIII4CoIII2] (Ln = Dy, Eu, Gd, Tb) clusters including a [DyIII4CoIII2] single molecule magnet","CrystEngComm","2016","18","42","8246","","10.1039/C6CE01589A","","","0.71073","MoKα","","0.069","0.046","","","0.1184","0.132","","","","","","0.995","","","","has coordinates","188105","2020-10-21","18:00:00",""
"7226642","12.371","0.002","19.544","0.003","18.941","0.003","90","","103.988","0.003","90","","4443.7","1.2","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C74 H84 Co2 N10 O34 Tb4 -","- C74 H84 Co2 N10 O34 Tb4 -","- C148 H168 Co4 N20 O68 Tb8 -","2","0.5","","Zhang, Haifeng; Liu, Rui; Zhang, Jin; Li, Yahong; Liu, Wei","Chair-like [LnIII4CoIII2] (Ln = Dy, Eu, Gd, Tb) clusters including a [DyIII4CoIII2] single molecule magnet","CrystEngComm","2016","18","42","8246","","10.1039/C6CE01589A","","","0.71073","MoKα","","0.0923","0.047","","","0.0907","0.1059","","","","","","1.019","","","","has coordinates","188105","2020-10-21","18:00:00",""
"7226643","11.717","0.006","17.333","0.009","8.824","0.005","90","","106.29","0.006","90","","1720.1","1.6","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C34 H36 N8 O6 -","- C34 H36 N8 O6 -","- C68 H72 N16 O12 -","2","0.5","","Tedesco, Consiglia; Meli, Alessandra; Macedi, Eleonora; Iuliano, Veronica; Ricciardulli, Antonio G.; De Riccardis, Francesco; Vaughan, Gavin B. M.; Smith, Vincent J.; Barbour, Leonard J.; Izzo, Irene","Ring size effect on the solid state assembly of propargyl substituted hexa- and octacyclic peptoids","CrystEngComm","2016","18","46","8838","","10.1039/C6CE01800A","","","0.2952","Synchrotron","","0.0809","0.0678","","","0.2034","0.2189","","","","","","1.113","","","","has coordinates","190069","2020-10-21","18:00:00",""
"7226644","13.022","0.002","17.377","0.003","8.6788","0.0015","90","","102.255","0.004","90","","1919.1","0.6","100","0.5","100","0.5","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C34 H46 N6 O10 S2 -","- C34 H42 N6 O10 S2 -","- C68 H84 N12 O20 S4 -","2","0.5","","Tedesco, Consiglia; Meli, Alessandra; Macedi, Eleonora; Iuliano, Veronica; Ricciardulli, Antonio G.; De Riccardis, Francesco; Vaughan, Gavin B. M.; Smith, Vincent J.; Barbour, Leonard J.; Izzo, Irene","Ring size effect on the solid state assembly of propargyl substituted hexa- and octacyclic peptoids","CrystEngComm","2016","18","46","8838","","10.1039/C6CE01800A","","x-ray","0.71073","MoKα","","0.1987","0.1145","","","0.2724","0.363","","","","","","1.003","","","","has coordinates","190069","2020-10-21","18:00:00",""
"7226645","29.138","0.011","8.033","0.002","21.635","0.008","90","","118.774","0.007","90","","4439","3","100","2","100","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C42 H48 N8 O10 -","- C42 H48 N8 O10 -","- C168 H192 N32 O40 -","4","0.5","","Tedesco, Consiglia; Meli, Alessandra; Macedi, Eleonora; Iuliano, Veronica; Ricciardulli, Antonio G.; De Riccardis, Francesco; Vaughan, Gavin B. M.; Smith, Vincent J.; Barbour, Leonard J.; Izzo, Irene","Ring size effect on the solid state assembly of propargyl substituted hexa- and octacyclic peptoids","CrystEngComm","2016","18","46","8838","","10.1039/C6CE01800A","","","0.71073","MoKα","","0.2229","0.089","","","0.1798","0.2361","","","","","","0.977","","","","has coordinates","190069","2020-10-21","18:00:00",""
"7226646","29.227","0.011","7.997","0.003","21.68","0.008","90","","119.615","0.007","90","","4405","3","100","0.5","100","0.5","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C41 H48 N8 O11 -","- C41 H45 N8 O11 -","- C164 H180 N32 O44 -","4","0.5","","Tedesco, Consiglia; Meli, Alessandra; Macedi, Eleonora; Iuliano, Veronica; Ricciardulli, Antonio G.; De Riccardis, Francesco; Vaughan, Gavin B. M.; Smith, Vincent J.; Barbour, Leonard J.; Izzo, Irene","Ring size effect on the solid state assembly of propargyl substituted hexa- and octacyclic peptoids","CrystEngComm","2016","18","46","8838","","10.1039/C6CE01800A","","x-ray","0.71073","MoKα","","0.1474","0.0967","","","0.238","0.2725","","","","","","1.063","","","","has coordinates,has disorder","190069","2020-10-21","18:00:00",""
"7226647","29.25","0.012","7.997","0.003","21.648","0.009","90","","120.242","0.009","90","","4375","3","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C40 H48 N8 O12 -","- C40 H40 N8 O12 -","- C160 H160 N32 O48 -","4","0.5","","Tedesco, Consiglia; Meli, Alessandra; Macedi, Eleonora; Iuliano, Veronica; Ricciardulli, Antonio G.; De Riccardis, Francesco; Vaughan, Gavin B. M.; Smith, Vincent J.; Barbour, Leonard J.; Izzo, Irene","Ring size effect on the solid state assembly of propargyl substituted hexa- and octacyclic peptoids","CrystEngComm","2016","18","46","8838","","10.1039/C6CE01800A","","","0.71073","MoKα","","0.2658","0.1178","","","0.2771","0.3762","","","","","","0.988","","","","has coordinates,has disorder","190069","2020-10-21","18:00:00",""
"7226648","29.177","0.01","7.999","0.002","21.586","0.007","90","","119.075","0.007","90","","4403","2","100","0.5","100","0.5","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C41.56 H48 N8 O10.44 -","- C41.564 H46.692 N8 O10.436 -","- C166.256 H186.768 N32 O41.744 -","4","0.5","","Tedesco, Consiglia; Meli, Alessandra; Macedi, Eleonora; Iuliano, Veronica; Ricciardulli, Antonio G.; De Riccardis, Francesco; Vaughan, Gavin B. M.; Smith, Vincent J.; Barbour, Leonard J.; Izzo, Irene","Ring size effect on the solid state assembly of propargyl substituted hexa- and octacyclic peptoids","CrystEngComm","2016","18","46","8838","","10.1039/C6CE01800A","","","0.71073","MoKα","","0.2146","0.1105","","","0.2591","0.3272","","","","","","1.083","","","","has coordinates,has disorder","190069","2020-10-21","18:00:00",""
"7226649","19.3577","0.0013","19.3577","0.0013","11.0242","0.0015","90","","90","","90","","4131","0.7","293","2","293","2","","","","","","","","6","P 4/n m m :2","-P 4a 2a","129","","","","- C28 H20 Cu8 I4 N4 O20 -","- C28 H12 Cu8 I4 N4 O20 -","- C56 H24 Cu16 I8 N8 O40 -","2","0.125","","Wang, Guoming; Xue, Zhenzhen; Pan, Jie; Wei, Li; Han, Songde; Qian, Jinjie; Wang, Zonghua","Ligand-oriented assembly of a porous metal‒organic framework by [CuI4I4] clusters and paddle-wheel [CuII2(COO)4(H2O)2] subunits","CrystEngComm","2016","18","43","8362","","10.1039/C6CE01954D","","","0.71073","MoKα","","0.0791","0.07","","","0.1972","0.2075","","","","","","1.012","","","","has coordinates","188087","2020-10-21","18:00:00",""
"7226650","20.235","0.005","6.3778","0.0015","25.095","0.006","90","","110.477","0.004","90","","3034","1.3","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C14 H15 Ag3 N26 O14 -","- C14 H15 Ag3 N26 O14 -","- C56 H60 Ag12 N104 O56 -","4","0.5","","Song, Xiaxia; zhang, sheng; Zhao, Guowei; Zhang, Wendou; Chen, Dongpo; Yang, Qi; Wei, Qing; Xie, Gang; Yang, Desuo; Chen, Sanping; Gao, Sheng-li","Ag(I)-based high-energy metal organic frameworks (HE-MOFs) incorporating the coordinated moieties in channels: Synthesis, structure and physicochemical properties","RSC Adv.","2016","","","","","10.1039/C6RA21132A","","","0.71073","MoKα","","0.0923","0.0522","","","0.1248","0.1648","","","","","","1.063","","","","has coordinates","186778","2020-10-21","18:00:00",""
"7226651","11.8817","0.0003","13.3685","0.0004","12.8886","0.0003","90","","99.081","0.001","90","","2021.57","0.09","150","2","150","2","","","","","","","synthesized by the authors","4","P 1 21/n 1","-P 2yn","14","","","","- C38 H68 Si4 Ti2 -","- C38 H68 Si4 Ti2 -","- C76 H136 Si8 Ti4 -","2","0.5","","Gyepes, Róbert; Pinkas, Jiri; Císařová, Ivana; Kubišta, Jiří; Horacek, Michal; Mach, Karel","Synthesis, molecular and electronic structure of a stacked half-sandwich dititanium complex incorporating a cyclic π-faced bridging ligand","RSC Adv.","2016","","","","","10.1039/C6RA14940E","","","0.71073","MoKα","","0.0271","0.0235","","","0.0652","0.0693","","","","","","0.947","","","","has coordinates","198632","2020-10-21","18:00:00",""
"7226652","10.4202","0.0007","12.1455","0.0008","12.5464","0.0008","61.406","0.0013","71.1351","0.0014","78.7175","0.0014","1317.7","0.15","150","2","150","2","","","","","","","","5","P -1","-P 1","2","ic17312","3f","","- C25 H26 Br2 N2 O7 -","- C25 H26 Br2 N2 O7 -","- C50 H52 Br4 N4 O14 -","2","1","","Peng, Chieh-Hung; Hong, Bor-Cherng; Raja, Arun; Chang, Chun-Wei; Lee, Gene-Hsiang","Constructing Densely Functionalized Hajos‒Parrish-type Ketones with Six Contiguous Stereogenic Centers and Two Quaternary Carbons in a Formal [2 + 2 + 2] Cycloaddition Cascade","RSC Adv.","2016","","","","","10.1039/C6RA22430J","","","0.71073","MoKα","","0.0579","0.043","","","0.0929","0.0998","","","","","","1.035","","","","has coordinates,has disorder","186791","2020-10-21","18:00:00",""
"7226653","11.4563","0.0007","6.771","0.0004","25.4114","0.0015","90","","93.8075","0.0014","90","","1966.8","0.2","200","2","200","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","ic17001","3a","","- C22 H22 N2 O6 -","- C22 H22 N2 O6 -","- C88 H88 N8 O24 -","4","1","","Peng, Chieh-Hung; Hong, Bor-Cherng; Raja, Arun; Chang, Chun-Wei; Lee, Gene-Hsiang","Constructing Densely Functionalized Hajos‒Parrish-type Ketones with Six Contiguous Stereogenic Centers and Two Quaternary Carbons in a Formal [2 + 2 + 2] Cycloaddition Cascade","RSC Adv.","2016","","","","","10.1039/C6RA22430J","","","0.71073","MoKα","","0.0758","0.0586","","","0.1365","0.146","","","","","","1.109","","","","has coordinates","186791","2020-10-21","18:00:00",""
"7226654","9.3887","0.0002","11.6113","0.0003","19.7433","0.0005","90","","90","","90","","2152.32","0.09","200","2","200","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","first crystal ic17971","3i","","- C22 H20 N4 O10 -","- C22 H20 N4 O10 -","- C88 H80 N16 O40 -","4","1","","Peng, Chieh-Hung; Hong, Bor-Cherng; Raja, Arun; Chang, Chun-Wei; Lee, Gene-Hsiang","Constructing Densely Functionalized Hajos‒Parrish-type Ketones with Six Contiguous Stereogenic Centers and Two Quaternary Carbons in a Formal [2 + 2 + 2] Cycloaddition Cascade","RSC Adv.","2016","","","","","10.1039/C6RA22430J","","","1.54178","CuKα","","0.0258","0.0255","","","0.0698","0.0701","","","","","","1.047","","","","has coordinates","186791","2020-10-21","18:00:00",""
"7226655","9.3839","0.0002","11.609","0.0002","19.7514","0.0004","90","","90","","90","","2151.67","0.07","200","2","200","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","second crystal ic18028","3i","","- C22 H20 N4 O10 -","- C22 H20 N4 O10 -","- C88 H80 N16 O40 -","4","1","","Peng, Chieh-Hung; Hong, Bor-Cherng; Raja, Arun; Chang, Chun-Wei; Lee, Gene-Hsiang","Constructing Densely Functionalized Hajos‒Parrish-type Ketones with Six Contiguous Stereogenic Centers and Two Quaternary Carbons in a Formal [2 + 2 + 2] Cycloaddition Cascade","RSC Adv.","2016","","","","","10.1039/C6RA22430J","","","1.54178","CuKα","","0.0245","0.024","","","0.0617","0.0621","","","","","","1.051","","","","has coordinates","186791","2020-10-21","18:00:00",""
"7226656","9.3881","0.0001","11.607","0.0002","19.7468","0.0003","90","","90","","90","","2151.76","0.05","200","2","200","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","third crystal ic18028-1","3i","","- C22 H20 N4 O10 -","- C22 H20 N4 O10 -","- C88 H80 N16 O40 -","4","1","","Peng, Chieh-Hung; Hong, Bor-Cherng; Raja, Arun; Chang, Chun-Wei; Lee, Gene-Hsiang","Constructing Densely Functionalized Hajos‒Parrish-type Ketones with Six Contiguous Stereogenic Centers and Two Quaternary Carbons in a Formal [2 + 2 + 2] Cycloaddition Cascade","RSC Adv.","2016","","","","","10.1039/C6RA22430J","","","1.54178","CuKα","","0.0253","0.0247","","","0.0629","0.0634","","","","","","1.031","","","","has coordinates","186791","2020-10-21","18:00:00",""
"7226657","6.6053","0.0001","16.3208","0.0003","18.4301","0.0003","90","","90","","90","","1986.83","0.06","200","2","200","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","ic18058-1","5a","","- C22 H22 N2 O6 -","- C22 H22 N2 O6 -","- C88 H88 N8 O24 -","4","1","","Peng, Chieh-Hung; Hong, Bor-Cherng; Raja, Arun; Chang, Chun-Wei; Lee, Gene-Hsiang","Constructing Densely Functionalized Hajos‒Parrish-type Ketones with Six Contiguous Stereogenic Centers and Two Quaternary Carbons in a Formal [2 + 2 + 2] Cycloaddition Cascade","RSC Adv.","2016","","","","","10.1039/C6RA22430J","","","1.54178","CuKα","","0.0326","0.0318","","","0.0793","0.08","","","","","","1.065","","","","has coordinates","186791","2020-10-21","18:00:00",""
"7226658","12.572","0.003","16.149","0.004","19.077","0.005","90","","100.52","0.005","90","","3808","1.6","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C35 H31 N7 O6.5 Pb S2 -","- C35 H31 N7 O6.5 Pb S2 -","- C140 H124 N28 O26 Pb4 S8 -","4","1","","Sousa-Pedrares, Antonio; Crespo, Augusto; Durán, María L.; García-Vázquez, José A.","Directing effects of aminosulfonyl groups on the crystal packing of tin and lead complexes","CrystEngComm","2016","18","43","8419","","10.1039/C6CE01567K","","","0.71073","MoKα","","0.1513","0.0551","","","0.1082","0.1477","","","","","","1.022","","","","has coordinates","188082","2020-10-21","18:00:00",""
"7226659","14.5188","0.0004","7.6162","0.0002","27.7076","0.0007","90","","102.505","0.002","90","","2991.17","0.14","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C25 H29 N7 O7 S2 Sn -","- C25 H29 N7 O7 S2 Sn -","- C100 H116 N28 O28 S8 Sn4 -","4","1","","Sousa-Pedrares, Antonio; Crespo, Augusto; Durán, María L.; García-Vázquez, José A.","Directing effects of aminosulfonyl groups on the crystal packing of tin and lead complexes","CrystEngComm","2016","18","43","8419","","10.1039/C6CE01567K","","","0.71073","MoKα","","0.0603","0.0415","","","0.0735","0.078","","","","","","1.102","","","","has coordinates","188082","2020-10-21","18:00:00",""
"7226660","10.0349","0.0003","15.1394","0.0005","26.2883","0.0009","90","","97.571","0.002","90","","3959","0.2","100","2","100","2","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C39 H37 N9 O6 S2 Sn -","- C39 H37 N9 O6 S2 Sn -","- C156 H148 N36 O24 S8 Sn4 -","4","0.5","","Sousa-Pedrares, Antonio; Crespo, Augusto; Durán, María L.; García-Vázquez, José A.","Directing effects of aminosulfonyl groups on the crystal packing of tin and lead complexes","CrystEngComm","2016","18","43","8419","","10.1039/C6CE01567K","","","0.71073","MoKα","","0.021","0.019","","","0.0455","0.0464","","","","","","1.045","","","","has coordinates","188082","2020-10-21","18:00:00",""
"7226661","14.6879","0.0003","18.3871","0.0004","12.6439","0.0003","90","","90","","90","","3414.71","0.13","100","2","100","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C35 H31 N7 O6 S2 Sn -","- C35 H31 N7 O6 S2 Sn -","- C140 H124 N28 O24 S8 Sn4 -","4","0.5","","Sousa-Pedrares, Antonio; Crespo, Augusto; Durán, María L.; García-Vázquez, José A.","Directing effects of aminosulfonyl groups on the crystal packing of tin and lead complexes","CrystEngComm","2016","18","43","8419","","10.1039/C6CE01567K","","","0.71073","MoKα","","0.0309","0.0248","","","0.0566","0.0586","","","","","","1.052","","","","has coordinates","188082","2020-10-21","18:00:00",""
"7226662","10.3584","0.001","10.854","0.001","10.4469","0.001","90","","108.403","0.002","90","","1114.48","0.18","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","Clevudine (Form 1)","1-(2-Deoxy-2-fluoro-ß-L-arabinofuranosyl)-5-methyl-2,4-(1H,3H)-pyrimidinedione","","- C10 H13 F N2 O5 -","- C10 H13 F N2 O5 -","- C40 H52 F4 N8 O20 -","4","2","","Noonan, T. J.; Mzondo, B.; Bourne, S. A.; Caira, M. R.","Polymorphism of the antiviral agent clevudine","CrystEngComm","2016","18","42","8172","","10.1039/C6CE01975G","","","0.71073","MoKα","","0.0433","0.0418","","","0.1038","0.1049","","","","","","1.041","","","","has coordinates,has disorder","188106","2020-10-21","18:00:00",""
"7226663","8.9716","0.0009","5.3099","0.0005","11.8624","0.0011","90","","105.98","0.002","90","","543.27","0.09","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","Clevudine (Form 2)","1-(2-Deoxy-2-fluoro-ß-L-arabinofuranosyl)-5-methyl-2,4-(1H,3H)-pyrimidinedione","","- C10 H13 F N2 O5 -","- C10 H13 F N2 O5 -","- C20 H26 F2 N4 O10 -","2","1","","Noonan, T. J.; Mzondo, B.; Bourne, S. A.; Caira, M. R.","Polymorphism of the antiviral agent clevudine","CrystEngComm","2016","18","42","8172","","10.1039/C6CE01975G","","","0.71073","MoKα","","0.0295","0.0293","","","0.0767","0.0769","","","","","","1.053","","","","has coordinates","188106","2020-10-21","18:00:00",""
"7226664","10.4391","0.0013","16.017","0.002","13.8687","0.0018","90","","101.604","0.002","90","","2271.5","0.5","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","Clevudine (Form 3)","1-(2-Deoxy-2-fluoro-ß-L-arabinofuranosyl)-5-methyl-2,4-(1H,3H)-pyrimidinedione","","- C10 H13 F N2 O5 -","- C10 H13 F N2 O5 -","- C80 H104 F8 N16 O40 -","8","4","","Noonan, T. J.; Mzondo, B.; Bourne, S. A.; Caira, M. R.","Polymorphism of the antiviral agent clevudine","CrystEngComm","2016","18","42","8172","","10.1039/C6CE01975G","","","0.71073","MoKα","","0.0419","0.0355","","","0.0831","0.0862","","","","","","1.031","","","","has coordinates","188106","2020-10-21","18:00:00",""
"7226665","17.6078","0.0006","15.0214","0.0005","18.074","0.0006","90","","90","","90","","4780.5","0.3","100","2","100.15","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C14 H12 Ag F18 N4 P -","- C14 H12 Ag F18 N4 P -","- C112 H96 Ag8 F144 N32 P8 -","8","1","","Pliquett, Daniel; Schulz, Peter S.; Heinemann, Frank W.; Bause, Angela; Wasserscheid, Peter","Liquid silver tris(perfluoroethyl)trifluorophosphate salts as new media for propene/propane separation.","Physical chemistry chemical physics : PCCP","2016","18","40","28242","28253","10.1039/c6cp05653a","","","0.71073","MoKα","","0.0687","0.0426","","","0.0873","0.099","","","","","","1.145","","","","has coordinates,has disorder","188316","2020-10-21","18:00:00",""
"7226666","9.6624","0.0019","14.99","0.003","12.85","0.003","90","","93.695","0.003","90","","1857.3","0.7","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C10 H6 Ag F18 N2 P -","- C10 H6 Ag F18 N2 P -","- C40 H24 Ag4 F72 N8 P4 -","4","1","","Pliquett, Daniel; Schulz, Peter S.; Heinemann, Frank W.; Bause, Angela; Wasserscheid, Peter","Liquid silver tris(perfluoroethyl)trifluorophosphate salts as new media for propene/propane separation.","Physical chemistry chemical physics : PCCP","2016","18","40","28242","28253","10.1039/c6cp05653a","","","0.71073","MoKα","","0.034","0.0227","","","0.0494","0.0552","","","","","","1.068","","","","has coordinates,has disorder","188316","2020-10-21","18:00:00",""
"7226667","12.8087","0.0016","10.5095","0.0014","16.822","0.002","90","","100.596","0.002","90","","2225.8","0.5","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C16 H10 Ag F18 N2 P -","- C16 H10 Ag F18 N2 P -","- C64 H40 Ag4 F72 N8 P4 -","4","1","","Pliquett, Daniel; Schulz, Peter S.; Heinemann, Frank W.; Bause, Angela; Wasserscheid, Peter","Liquid silver tris(perfluoroethyl)trifluorophosphate salts as new media for propene/propane separation.","Physical chemistry chemical physics : PCCP","2016","18","40","28242","28253","10.1039/c6cp05653a","","","0.71073","MoKα","","0.0243","0.0194","","","0.0438","0.0466","","","","","","0.964","","","","has coordinates","188316","2020-10-21","18:00:00",""
"7226668","7.8102","0.0002","11.8025","0.0003","10.2102","0.0002","90","","90","","90","","941.18","0.04","100","2","100","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C9 H16 N O2 -","- C9 H16 N O2 -","- C36 H64 N4 O8 -","4","1","","Nelyubina, Yu. V.; Ananyev, I. V.; Novikov, V. V.; Lyssenko, K. A.","Invariom approach to electron density studies of open-shell compounds: the case of an organic nitroxide radical","RSC Adv.","2016","6","94","91694","","10.1039/C6RA21365K","","","0.71073","MoKα","","0.0402","0.0303","","","0.0735","0.0809","","","","","","1.048","","","","has coordinates","186819","2020-10-21","18:00:00",""
"7226669","8.134","0.004","13.499","0.007","18.02","0.009","91.257","0.009","90.449","0.009","98.596","0.009","1955.8","1.7","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C32 H16 Cu4 F12 N9 O9 -","- C32 H16 Cu4 F12 N9 O9 -","- C64 H32 Cu8 F24 N18 O18 -","2","1","","Liu, Xiangyu; Cen, Peipei; Li, Feifei; Ma, Xiaohui; Zhou, Huiliang; Chen, Xiaoyan; Song, Weiming; Xie, Gang; Chen, Sanping","A unusual two-dimensional azido-Cu(II) network with benzoate derivative as coligand exhibiting ferromagnetic order and slow magnetic relaxation","RSC Adv.","2016","","","","","10.1039/C6RA20830D","","","0.71073","MoKα","","0.1912","0.0821","","","0.1861","0.2489","","","","","","0.996","","","","has coordinates","186820","2020-10-21","18:00:00",""
"7226670","9.5392","0.0007","12.9758","0.0009","13.6796","0.0009","95.066","0.006","96.544","0.006","107.057","0.006","1595","0.2","298","","298","2","","","","","","","","5","P -1","-P 1","2","","Ps Ai 1","","- C36.75 H35 Br N2 O -","- C36.75 H35 Br N2 O -","- C73.5 H70 Br2 N4 O2 -","2","1","","Sarkar, Piyali; Mukhopadhyay, Chhanda","The synthesis of new 8-imino-1-one acridine derivatives catalyzed by a calix[4]arene mono-acid core","Green Chem.","2016","18","24","6556","","10.1039/C6GC02144A","","x-ray","1.54184","CuKα","","0.0979","0.0696","","","0.193","0.2061","","","","","","1.149","","","","has coordinates","190220","2020-10-21","18:00:00",""
"7226671","26.576","0.002","14.451","0.002","27.285","0.002","90","","111.21","0.04","90","","9769","3","100","2","100","2","","","","","","","","6","P 1 2/n 1","-P 2yac","13","Gua5[EuDOTMP]*12.5H2O","","","- C17 H79 Eu N19 O24.5 P4 -","- C17 H46 Eu N19 O24.5 P4 -","- C136 H368 Eu8 N152 O196 P32 -","8","2","","Janicki, Rafał; Kędziorski, Andrzej; Mondry, Anna","The first example of ab initio calculations of f-f transitions for the case of [Eu(DOTP)](5-) complex-experiment versus theory.","Physical chemistry chemical physics : PCCP","2016","18","40","27808","27817","10.1039/c6cp05284c","","","0.71073","MoKα","","0.0628","0.0518","","","0.1507","0.1627","","","","","","1.16","","","","has coordinates","188319","2020-10-21","18:00:00",""
"7226672","12.5231","0.001","12.5231","0.001","24.8781","0.0004","90","","90","","90","","3901.6","0.4","100","2","100","2","","","","","","","","7","P 4 c c","P 4 -2c","103","","","","- C12 H46 Eu K5 N4 O23 P4 -","- C12 H24 Eu K5 N4 O23 P4 -","- C48 H96 Eu4 K20 N16 O92 P16 -","4","0.5","","Janicki, Rafał; Kędziorski, Andrzej; Mondry, Anna","The first example of ab initio calculations of f-f transitions for the case of [Eu(DOTP)](5-) complex-experiment versus theory.","Physical chemistry chemical physics : PCCP","2016","18","40","27808","27817","10.1039/c6cp05284c","","","0.71073","MoKα","","0.0532","0.0447","","","0.134","0.1399","","","","","","1.19","","","","has coordinates","188319","2020-10-21","18:00:00",""
"7226673","10.1347","0.0004","10.8799","0.0005","12.0819","0.0005","90","","101.789","0.002","90","","1304.1","0.1","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H14 N O5 -","- C15 H14 N O5 -","- C60 H56 N4 O20 -","4","1","","Saikia, Basanta; Khatioda, Rajiv; Bora, Pranita; Sarma, Bipul","Pyridine N-oxides as coformers in the development of drug cocrystals","CrystEngComm","2016","18","43","8454","","10.1039/C6CE01838F","","","0.71073","MoKα","","0.0899","0.0527","","","0.1347","0.1603","","","","","","0.804","","","","has coordinates","188084","2020-10-21","18:00:00",""
"7226674","11.6691","0.0009","6.8681","0.0005","14.3968","0.0009","90","","95.62","0.005","90","","1148.28","0.14","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C13 H13 N O3 -","- C13 H13 N O3 -","- C52 H52 N4 O12 -","4","1","","Saikia, Basanta; Khatioda, Rajiv; Bora, Pranita; Sarma, Bipul","Pyridine N-oxides as coformers in the development of drug cocrystals","CrystEngComm","2016","18","43","8454","","10.1039/C6CE01838F","","","0.71073","MoKα","","0.1009","0.0524","","","0.1293","0.1665","","","","","","0.79","","","","has coordinates","188084","2020-10-21","18:00:00",""
"7226675","15.589","0.0013","5.2685","0.0004","12.4962","0.001","90","","90","","90","","1026.32","0.14","296","2","296","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C10 H12 N2 O4 -","- C10 H12 N2 O4 -","- C40 H48 N8 O16 -","4","0.5","","Saikia, Basanta; Khatioda, Rajiv; Bora, Pranita; Sarma, Bipul","Pyridine N-oxides as coformers in the development of drug cocrystals","CrystEngComm","2016","18","43","8454","","10.1039/C6CE01838F","","","0.71073","MoKα","","0.2077","0.0422","","","0.1343","0.1713","","","","","","1.114","","","","has coordinates","188084","2020-10-21","18:00:00",""
"7226676","9.4702","0.0002","15.5487","0.0003","18.2269","0.0004","90","","102.059","0.0013","90","","2624.67","0.1","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C58 H80 N2 O6 -","- C58 H80 N2 O6 -","- C116 H160 N4 O12 -","2","0.5","","Saikia, Basanta; Khatioda, Rajiv; Bora, Pranita; Sarma, Bipul","Pyridine N-oxides as coformers in the development of drug cocrystals","CrystEngComm","2016","18","43","8454","","10.1039/C6CE01838F","","","0.71073","MoKα","","0.0569","0.0435","","","0.1113","0.1212","","","","","","1.05","","","","has coordinates","188084","2020-10-21","18:00:00",""
"7226677","10.977","0.003","12.112","0.004","16.439","0.005","90","","90","","90","","2185.6","1.1","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C24 H22 N4 O6 -","- C24 H22 N4 O6 -","- C96 H88 N16 O24 -","4","0.5","","Saikia, Basanta; Khatioda, Rajiv; Bora, Pranita; Sarma, Bipul","Pyridine N-oxides as coformers in the development of drug cocrystals","CrystEngComm","2016","18","43","8454","","10.1039/C6CE01838F","","","0.71073","MoKα","","0.0586","0.0418","","","0.1127","0.1294","","","","","","0.868","","","","has coordinates","188084","2020-10-21","18:00:00",""
"7226678","10.5317","0.0011","8.5508","0.0008","21.75","0.002","90","","91.055","0.007","90","","1958.4","0.3","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C19 H17 N5 O4 S2 -","- C19 H17 N5 O4 S2 -","- C76 H68 N20 O16 S8 -","4","1","","Saikia, Basanta; Khatioda, Rajiv; Bora, Pranita; Sarma, Bipul","Pyridine N-oxides as coformers in the development of drug cocrystals","CrystEngComm","2016","18","43","8454","","10.1039/C6CE01838F","","","0.71073","MoKα","","0.1539","0.0548","","","0.1443","0.1908","","","","","","0.75","","","","has coordinates","188084","2020-10-21","18:00:00",""
"7226679","12.3648","0.0003","7.733","0.0002","19.4502","0.0004","90","","114.44","0.001","90","","1693.13","0.07","170","2","170","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Sanguinarine","","- C21 H17 N O5 -","- C21 H17 N O5 -","- C84 H68 N4 O20 -","4","1","","Zhang, Qi; Jia, Lina; Wang, Jian-Rong; Mei, Xuefeng","Absolute asymmetric synthesis of a sanguinarine derivative through crystal‒solution interactions","CrystEngComm","2016","18","46","8834","","10.1039/C6CE01765G","","","1.54178","CuKα","","0.0469","0.0409","","","0.1013","0.1069","","","","","","1.046","","","","has coordinates","190068","2020-10-21","18:00:00",""
"7226680","7.7154","0.0002","9.5901","0.0003","22.5595","0.0006","90","","90","","90","","1669.21","0.08","170","2","170","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","Sanguinarine","","- C21 H17 N O5 -","- C21 H17 N O5 -","- C84 H68 N4 O20 -","4","1","","Zhang, Qi; Jia, Lina; Wang, Jian-Rong; Mei, Xuefeng","Absolute asymmetric synthesis of a sanguinarine derivative through crystal‒solution interactions","CrystEngComm","2016","18","46","8834","","10.1039/C6CE01765G","","","1.54178","CuKα","","0.0421","0.037","","","0.0959","0.0999","","","","","","1.035","","","","has coordinates","190068","2020-10-21","18:00:00",""
"7226681","7.723","0.0002","9.6004","0.0003","22.5562","0.0007","90","","90","","90","","1672.4","0.09","170","2","170","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","Sanguinarine","","- C21 H17 N O5 -","- C21 H17 N O5 -","- C84 H68 N4 O20 -","4","1","","Zhang, Qi; Jia, Lina; Wang, Jian-Rong; Mei, Xuefeng","Absolute asymmetric synthesis of a sanguinarine derivative through crystal‒solution interactions","CrystEngComm","2016","18","46","8834","","10.1039/C6CE01765G","","","1.54178","CuKα","","0.0391","0.0346","","","0.0996","0.1053","","","","","","0.98","","","","has coordinates","190068","2020-10-21","18:00:00",""
"7226682","12.415","0.0018","15.719","0.002","16.661","0.002","97.375","0.002","103.26","0.002","105.382","0.002","2988.7","0.7","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C60 H66 N9 O13 Sm -","- C60 H66 N9 O13 Sm -","- C120 H132 N18 O26 Sm2 -","2","1","","Qin, Wei; Zheng, Zhi-Peng; Feng, Hai-Xin; Hong, Xu-Jia; Huang, Xia; Peng, Hai-Jun; Cai, Yue-Peng","Two samarium(III) complexes with tunable fluorescence from in situ reactions of 2-ethoxy-6-((pyridin-2-ylmethylimino)methyl)phenol with Sm3+ion","RSC Adv.","2016","","","","","10.1039/C6RA20957B","","","0.71073","MoKα","","0.1195","0.0709","","","0.1617","0.1923","","","","","","1.013","","","","has coordinates,has disorder","186851","2020-10-21","18:00:00",""
"7226683","10.675","0.004","11.181","0.004","13.204","0.004","79.82","0.006","81.137","0.006","65.029","0.006","1400.6","0.8","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C50 H64 N10 O14 Sm2 -","- C50 H64 N10 O14 Sm2 -","- C50 H64 N10 O14 Sm2 -","1","0.5","","Qin, Wei; Zheng, Zhi-Peng; Feng, Hai-Xin; Hong, Xu-Jia; Huang, Xia; Peng, Hai-Jun; Cai, Yue-Peng","Two samarium(III) complexes with tunable fluorescence from in situ reactions of 2-ethoxy-6-((pyridin-2-ylmethylimino)methyl)phenol with Sm3+ion","RSC Adv.","2016","","","","","10.1039/C6RA20957B","","","0.71073","","","0.0658","0.0476","","","0.0994","0.1112","","","","","","1.034","","","","has coordinates","186851","2020-10-21","18:00:00",""
"7226684","51.107","0.013","9.448","0.003","18.492","0.005","90","","102.189","0.007","90","","8728","4","90","","90","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","UBMOF-3","","- C101 H61.01 N7 O27 Zn6 -","- C101 H61 N7 O27 Zn6 -","- C202 H122 N14 O54 Zn12 -","2","0.25","","Walton, Ian M.; Cox, Jordan M.; Mitchell, Travis B.; Bizier, Nicholas P.; Benedict, Jason B.","Structural response to desolvation in a pyridyl-phenanthrene diarylethene-based metal‒organic framework","CrystEngComm","2016","18","41","7972","","10.1039/C6CE01783E","","x-ray","0.71073","MoKα","","0.1527","0.1054","","","0.2852","0.3082","","","","","","1.039","","","","has coordinates,has disorder","188073","2020-10-21","18:00:00",""
"7226685","39.751","0.004","9.7399","0.0011","18.388","0.002","90","","91.374","0.004","90","","7117.2","1.3","90","","90","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C112 H48 N4 O24 S4 Zn6 -","- C112 H48 N4 O24 S4 Zn6 -","- C224 H96 N8 O48 S8 Zn12 -","2","0.25","","Walton, Ian M.; Cox, Jordan M.; Mitchell, Travis B.; Bizier, Nicholas P.; Benedict, Jason B.","Structural response to desolvation in a pyridyl-phenanthrene diarylethene-based metal‒organic framework","CrystEngComm","2016","18","41","7972","","10.1039/C6CE01783E","","x-ray","0.71073","MoKα","","0.1081","0.079","","","0.2163","0.2305","","","","","","1.087","","","","has coordinates,has disorder","188073","2020-10-21","18:00:00",""
"7226686","10.3907","0.0002","11.7359","0.0003","14.0932","0.0003","68.809","0.005","86.046","0.006","86.623","0.006","1597.49","0.08","150","","150","","","","","","","","","6","P -1","-P 1","2","","","","- C35 H38 N2 O5 P S -","- C35 H38 N2 O5 P S -","- C70 H76 N4 O10 P2 S2 -","2","1","","Akutsu, Hiroki; Ishihara, Keita; Yamada, Jun-ichi; Nakatsuji, Shin'ichi; Turner, Scott S.; Nakazawa, Yasuhiro","A strongly polarized organic conductor","CrystEngComm","2016","18","42","8151","","10.1039/C6CE01865C","","","0.71075","MoKα","","0.0401","0.0347","","","0.0875","0.092","","","","","","1.091","","","","has coordinates","188101","2020-10-21","18:00:00",""
"7226687","11.3672","0.0002","8.53265","0.00015","45.911","0.003","90","","90","","90","","4453","0.3","150","","150","","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C31 H40 N2 O8 S17 -","- C31 H40 N2 O8 S17 -","- C124 H160 N8 O32 S68 -","4","1","","Akutsu, Hiroki; Ishihara, Keita; Yamada, Jun-ichi; Nakatsuji, Shin'ichi; Turner, Scott S.; Nakazawa, Yasuhiro","A strongly polarized organic conductor","CrystEngComm","2016","18","42","8151","","10.1039/C6CE01865C","","","0.71075","MoKα","","0.0391","0.0342","","","0.0765","0.0784","","","","","","1.093","","","","has coordinates","188101","2020-10-21","18:00:00",""
"7226688","13.659","0.0012","14.6041","0.0013","18.4079","0.0016","94.569","0.001","101.034","0.002","98.8","0.002","3539.1","0.5","298","2","298","2","","","","","","","","6","P 1","P 1","1","","Complex 1","","- C68 H72 Cl4 Cu4 N4 O12 -","- C68 H72 Cl4 Cu4 N4 O12 -","- C136 H144 Cl8 Cu8 N8 O24 -","2","2","","Niu, Meiju; Li, Zhen; Li, Xiao; Huang, Xianqiang","Two Chiral Alkanolamine Schiff base Cu (II) Complexes as Potential Anticancer Agents: Synthesis, Structure, DNA/protein Interactions and Cytotoxic Activity","RSC Adv.","2016","","","","","10.1039/C6RA17830H","","","0.71073","MoKα","","0.1947","0.1141","","","0.2843","0.3292","","","","","","1.073","","","","has coordinates","192220","2020-10-21","18:00:00",""
"7226689","23.21","0.002","14.8103","0.0012","11.4882","0.0009","90","","113.779","0.002","90","","3613.8","0.5","293","2","293","2","","","","","","","","6","C 1 2 1","C 2y","5","","Complex 2","","- C68 H72 Cl4 Cu4 N4 O12 -","- C68 H72 Cl4 Cu4 N4 O12 -","- C136 H144 Cl8 Cu8 N8 O24 -","2","0.5","","Niu, Meiju; Li, Zhen; Li, Xiao; Huang, Xianqiang","Two Chiral Alkanolamine Schiff base Cu (II) Complexes as Potential Anticancer Agents: Synthesis, Structure, DNA/protein Interactions and Cytotoxic Activity","RSC Adv.","2016","","","","","10.1039/C6RA17830H","","","0.71073","MoKα","","0.1748","0.0801","","","0.1251","0.1621","","","","","","0.839","","","","has coordinates","186875","2020-10-21","18:00:00",""
"7226690","8.7142","0.0007","14.7858","0.0008","14.5751","0.0009","90","","106.346","0.007","90","","1802","0.2","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C20 H23 N3 O2 -","- C20 H23 N3 O2 -","- C80 H92 N12 O8 -","4","1","","Bhattacharjee, Deboshikha; Kshiar, Baskhemlang; Myrboh, Bekington","L-Proline as an efficient enantioinduction organo-catalyst in the solvent-free synthesis of pyrazolo[3,4-b]quinoline derivatives via one-pot multi-component reaction","RSC Adv.","2016","","","","","10.1039/C6RA22429F","","","0.71073","MoKα","","0.1686","0.1321","","","0.3486","0.3845","","","","","","1.407","","","","has coordinates","186876","2020-10-21","18:00:00",""
"7226691","9.995","0.002","10.493","0.002","13.571","0.003","79.34","0.03","70.61","0.03","68.37","0.03","1244.8","0.5","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C29 H23 Br N P Pt -","- C29 H23 Br N P Pt -","- C58 H46 Br2 N2 P2 Pt2 -","2","1","","Niazi, Maryam; Shahsavari, Hamid R.; Golbon Haghighi, Mohsen; Halvagar, Mohammad Reza; Hatami, Samaneh; Notash, Behrouz","Carbon‒Sulfur Bond Reductive Coupling from a Platinum(II) Thiolate Complex","RSC Adv.","2016","","","","","10.1039/C6RA21756G","","","0.71073","MoKα","","0.1881","0.0849","","","0.1622","0.2296","","","","","","0.876","","","","has coordinates","186877","2020-10-21","18:00:00",""
"7226692","17.402","0.004","9.3857","0.0019","17.827","0.004","90","","111.51","0.03","90","","2708.9","1.2","298","2","298","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C29 H27 I N O2 P Pt -","- C29 H23 I N O2 P Pt -","- C116 H92 I4 N4 O8 P4 Pt4 -","4","1","","Niazi, Maryam; Shahsavari, Hamid R.; Golbon Haghighi, Mohsen; Halvagar, Mohammad Reza; Hatami, Samaneh; Notash, Behrouz","Carbon‒Sulfur Bond Reductive Coupling from a Platinum(II) Thiolate Complex","RSC Adv.","2016","","","","","10.1039/C6RA21756G","","","0.71073","MoKα","","0.1747","0.0808","","","0.1491","0.1745","","","","","","0.89","","","","has coordinates","186877","2020-10-21","18:00:00",""
"7226693","9.969","0.002","10.317","0.002","13.607","0.003","79.1","0.03","70.81","0.03","68","0.03","1222","0.5","293","2","293","2","","","","","","","Syn","6","P -1","-P 1","2","","","","- C29 H23 Cl N P Pt -","- C29 H23 Cl N P Pt -","- C58 H46 Cl2 N2 P2 Pt2 -","2","1","","Niazi, Maryam; Shahsavari, Hamid R.; Golbon Haghighi, Mohsen; Halvagar, Mohammad Reza; Hatami, Samaneh; Notash, Behrouz","Carbon‒Sulfur Bond Reductive Coupling from a Platinum(II) Thiolate Complex","RSC Adv.","2016","","","","","10.1039/C6RA21756G","","x-ray","0.71073","MoKα","","0.0519","0.0379","","","0.0763","0.0786","","","","","","1.002","","","","has coordinates","186877","2020-10-21","18:00:00",""
"7226694","20.818","0.004","10.72","0.002","27.89","0.006","90","","98.7","0.03","90","","6153","2","298","2","298","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C64 H52 Cl2 F6 N3 P3 Pt2 S -","- C64 H52 Cl2 F6 N3 P3 Pt2 S -","- C256 H208 Cl8 F24 N12 P12 Pt8 S4 -","4","1","","Niazi, Maryam; Shahsavari, Hamid R.; Golbon Haghighi, Mohsen; Halvagar, Mohammad Reza; Hatami, Samaneh; Notash, Behrouz","Carbon‒Sulfur Bond Reductive Coupling from a Platinum(II) Thiolate Complex","RSC Adv.","2016","","","","","10.1039/C6RA21756G","","","0.71073","MoKα","","0.1467","0.0609","","","0.105","0.1221","","","","","","0.803","","","","has coordinates","186877","2020-10-21","18:00:00",""
"7226695","15.63","0.0011","12.6171","0.0007","5.4481","0.0004","90","","92.926","0.007","90","","1072.99","0.12","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C8 H4 Br2 Ca O5 -","- C8 H4 Br2 Ca O5 -","- C32 H16 Br8 Ca4 O20 -","4","0.5","","Sun, Yuexin; Sun, Yayong; Zheng, Hao; Wang, Hongli; Han, Yi; Yang, Yu; Wang, Lei","Four calcium(ii) coordination polymers based on 2,5-dibromoterephthalic acid and different N-donor organic species: syntheses, structures, topologies, and luminescence properties","CrystEngComm","2016","18","44","8664","","10.1039/C6CE01709F","","","0.7107","MoKα","","0.0446","0.0365","","","0.0819","0.0896","","","","","","1.096","","","","has coordinates","190084","2020-10-21","18:00:00",""
"7226696","11.0693","0.0005","12.9647","0.0003","13.6267","0.0004","90","","90","","90","","1955.57","0.11","293","2","293","2","","","","","","","","6","P n n n","-P 2ab 2bc","48","","","","- C40 H30 Br4 Ca N4 O8 -","- C40 H30 Br4 Ca N4 O8 -","- C80 H60 Br8 Ca2 N8 O16 -","2","","","Sun, Yuexin; Sun, Yayong; Zheng, Hao; Wang, Hongli; Han, Yi; Yang, Yu; Wang, Lei","Four calcium(ii) coordination polymers based on 2,5-dibromoterephthalic acid and different N-donor organic species: syntheses, structures, topologies, and luminescence properties","CrystEngComm","2016","18","44","8664","","10.1039/C6CE01709F","","","0.7107","MoKα","","0.0476","0.0347","","","0.0796","0.0864","","","","","","1.035","","","","has coordinates","190084","2020-10-21","18:00:00",""
"7226697","10.0545","0.0006","11.5943","0.0006","12.401","0.0007","74.417","0.005","84.716","0.005","83.3","0.005","1380.21","0.14","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C44 H32 Br8 Ca3 N4 O22 -","- C44 H32 Br8 Ca3 N4 O22 -","- C44 H32 Br8 Ca3 N4 O22 -","1","0.5","","Sun, Yuexin; Sun, Yayong; Zheng, Hao; Wang, Hongli; Han, Yi; Yang, Yu; Wang, Lei","Four calcium(ii) coordination polymers based on 2,5-dibromoterephthalic acid and different N-donor organic species: syntheses, structures, topologies, and luminescence properties","CrystEngComm","2016","18","44","8664","","10.1039/C6CE01709F","","","0.7107","MoKα","","0.0464","0.0342","","","0.0732","0.0791","","","","","","1.044","","","","has coordinates","190084","2020-10-21","18:00:00",""
"7226698","7.7834","0.0004","10.1301","0.0005","10.3277","0.0008","103.873","0.005","91.797","0.005","90.935","0.004","789.92","0.08","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C13 H10 Br2 Ca N O6 -","- C13 H10 Br2 Ca N O6 -","- C26 H20 Br4 Ca2 N2 O12 -","2","1","","Sun, Yuexin; Sun, Yayong; Zheng, Hao; Wang, Hongli; Han, Yi; Yang, Yu; Wang, Lei","Four calcium(ii) coordination polymers based on 2,5-dibromoterephthalic acid and different N-donor organic species: syntheses, structures, topologies, and luminescence properties","CrystEngComm","2016","18","44","8664","","10.1039/C6CE01709F","","","0.7107","MoKα","","0.0479","0.0354","","","0.0679","0.0736","","","","","","1.043","","","","has coordinates","190084","2020-10-21","18:00:00",""
"7226699","10.1252","0.0003","10.2626","0.0004","13.4382","0.0005","97.847","0.001","97.577","0.001","113.879","0.002","1237.61","0.08","223","2","223","2","","","","","","","","4","P -1","-P 1","2","","","","- C32 H24 N5 O -","- C32 H24 N5 O -","- C64 H48 N10 O2 -","2","1","","Dresselhaus, Thomas; Eusterwiemann, Steffen; Matuschek, David R.; Daniliuc, Constantin G.; Janka, Oliver; Pöttgen, Rainer; Studer, Armido; Neugebauer, Johannes","Black-box determination of temperature-dependent susceptibilities for crystalline organic radicals with complex magnetic topologies.","Physical chemistry chemical physics : PCCP","2016","18","40","28262","28273","10.1039/c6cp05875b","","","0.71073","MoKα","","0.0633","0.0498","","","0.118","0.1274","","","","","","1.018","","","","has coordinates","188318","2020-10-21","18:00:00",""
"7226700","19.1687","0.0002","16.52","0.0003","17.427","0.0003","90","","123.08","0.001","90","","4624.05","0.14","223","2","223","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C25 H23 N4 O Si -","- C25 H23 N4 O Si -","- C200 H184 N32 O8 Si8 -","8","1","","Dresselhaus, Thomas; Eusterwiemann, Steffen; Matuschek, David R.; Daniliuc, Constantin G.; Janka, Oliver; Pöttgen, Rainer; Studer, Armido; Neugebauer, Johannes","Black-box determination of temperature-dependent susceptibilities for crystalline organic radicals with complex magnetic topologies.","Physical chemistry chemical physics : PCCP","2016","18","40","28262","28273","10.1039/c6cp05875b","","","0.71073","MoKα","","0.0914","0.0631","","","0.1138","0.1306","","","","","","1.096","","","","has coordinates,has disorder","188318","2020-10-21","18:00:00",""
"7226701","10.513","0.001","18.2406","0.0006","10.6648","0.0006","90","","119.261","0.004","90","","1784.2","0.2","223","2","223","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H15 N4 O -","- C22 H15 N4 O -","- C88 H60 N16 O4 -","4","1","","Dresselhaus, Thomas; Eusterwiemann, Steffen; Matuschek, David R.; Daniliuc, Constantin G.; Janka, Oliver; Pöttgen, Rainer; Studer, Armido; Neugebauer, Johannes","Black-box determination of temperature-dependent susceptibilities for crystalline organic radicals with complex magnetic topologies.","Physical chemistry chemical physics : PCCP","2016","18","40","28262","28273","10.1039/c6cp05875b","","","1.54178","CuKα","","0.0681","0.0462","","","0.1115","0.1274","","","","","","1.035","","","","has coordinates","188318","2020-10-21","18:00:00",""
"7226702","6.246","0.0012","9.551","0.0019","11.301","0.002","97.11","0.03","96.87","0.03","106.95","0.03","631.3","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H28 Co N2 O6 -","- C28 H28 Co N2 O6 -","- C28 H28 Co N2 O6 -","1","0.5","","Asgharpour, Zeinab; Farzaneh, Faezeh; Abbasi, Alireza","Synthesis, characterization and immobilization of a new cobalt (II) complex on modified magnetic nanoparticles as catalyst for epoxidation of alkenes and oxidation of activated alkanes","RSC Adv.","2016","","","","","10.1039/C6RA18154F","","","0.71073","MoKα","","0.0543","0.0459","","","0.0977","0.1015","","","","","","1.031","","","","has coordinates","186897","2020-10-21","18:00:00",""
"7226703","21.595","0.0012","11.9233","0.0006","18.1759","0.0009","90","","125.106","0.002","90","","3828.7","0.4","296","","296","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C25 H21 N O2 -","- C25 H21 N O2 -","- C200 H168 N8 O16 -","8","1","","Qing, Xushun; Wang, Ting; Zhang, Feixiang; Wang, Cunde","One-Pot Synthesis of 2,4,6-Triarylpyridines from β-Nitrostyrenes, Substituted Salicylic Aldehydes and Ammonium Acetate","RSC Adv.","2016","","","","","10.1039/C6RA18630K","","","0.71073","MoKα","","0.0677","0.0453","","","0.1126","0.1248","","","","","","1.038","","","","has coordinates","186898","2020-10-21","18:00:00",""
"7226704","11.8148","0.0003","11.8148","0.0003","20.5068","0.0008","90","","90","","90","","2862.53","0.15","120","2","120","2","","","","","","","","6","P -4 21 c","P -4 2n","114","","","","- C56 H56 Cl2 Co N8 O16 -","- C56 H56 Cl2 Co N8 O16 -","- C112 H112 Cl4 Co2 N16 O32 -","2","0.25","","DALAI, SUDIPTA; Jana, Swapan Kumar; Mandal, Amit; Kumar, Anoop; Puschmann, Horst; Hossain, Maidul","Sensing of tryptophan by a non-toxic Cobalt(II) complex","RSC Adv.","2016","","","","","10.1039/C6RA16086G","","x-ray","0.71073","MoKα","","0.051","0.0419","","","0.082","0.0849","","","","","","1.091","","","","has coordinates","186899","2020-10-21","18:00:00",""
"7226705","10.8724","0.0003","11.7198","0.0004","11.7222","0.0004","90","","104.078","0.003","90","","1448.81","0.08","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H16 Fe O2 -","- C19 H16 Fe O2 -","- C76 H64 Fe4 O8 -","4","1","","Kumar, Abhinav; Chauhan, Ratna; Yadav, Reena; Singh, Ashish Kumar; Trivedi, Manoj; Kociok-Kohn, Gabriele; Rane, Sunit; Gosavi, Suresh","Ferrocenyl Chalcones with Phenolic and Pyridyl Anchors as Potential Sensitizers in Dye-Sensitized Solar Cells","RSC Adv.","2016","","","","","10.1039/C6RA23034B","","","0.71073","MoKα","","0.0417","0.0321","","","0.0669","0.0713","","","","","","1.052","","","","has coordinates","186900","2020-10-21","18:00:00",""
"7226706","11.1055","0.0004","11.4922","0.0003","11.4191","0.0004","90","","98.713","0.003","90","","1440.56","0.08","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H16 Fe O2 -","- C19 H16 Fe O2 -","- C76 H64 Fe4 O8 -","4","1","","Kumar, Abhinav; Chauhan, Ratna; Yadav, Reena; Singh, Ashish Kumar; Trivedi, Manoj; Kociok-Kohn, Gabriele; Rane, Sunit; Gosavi, Suresh","Ferrocenyl Chalcones with Phenolic and Pyridyl Anchors as Potential Sensitizers in Dye-Sensitized Solar Cells","RSC Adv.","2016","","","","","10.1039/C6RA23034B","","","0.71073","MoKα","","0.0531","0.0366","","","0.0821","0.0894","","","","","","1.025","","","","has coordinates","186900","2020-10-21","18:00:00",""
"7226707","11.7994","0.0004","10.9413","0.0003","11.2628","0.0003","90","","100.824","0.003","90","","1428.17","0.07","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H16 Fe O2 -","- C19 H16 Fe O2 -","- C76 H64 Fe4 O8 -","4","1","","Kumar, Abhinav; Chauhan, Ratna; Yadav, Reena; Singh, Ashish Kumar; Trivedi, Manoj; Kociok-Kohn, Gabriele; Rane, Sunit; Gosavi, Suresh","Ferrocenyl Chalcones with Phenolic and Pyridyl Anchors as Potential Sensitizers in Dye-Sensitized Solar Cells","RSC Adv.","2016","","","","","10.1039/C6RA23034B","","","0.71073","MoKα","","0.0388","0.0309","","","0.0698","0.073","","","","","","1.062","","","","has coordinates","186900","2020-10-21","18:00:00",""
"7226708","26.012","0.003","6.7475","0.0008","16.049","0.0018","90","","90","","90","","2816.9","0.6","293","2","293","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C15 H14 N3 O2 -","- C15 H14 N3 O2 -","- C120 H112 N24 O16 -","8","1","","Feng, Haiyan; Wang, Tao; Chen, Songtao; Huang, Yangfei; Yu, Weijie; huang, yuanyuan; Xiong, Fei","Copper-catalyzed [3+2] cycloaddition reaction: Synthesis of substituted pyrazolo[1,5-c]quinazolines with N-iminoquinazolinium ylide and olefin as starting materials","RSC Adv.","2016","","","","","10.1039/C6RA22006A","","","0.71073","MoKα","","0.0949","0.0627","","","0.1571","0.1943","","","","","","1.002","","","","has coordinates","186901","2020-10-21","18:00:00",""
"7226709","8.0388","0.0006","9.3156","0.0011","12.0288","0.0013","90","","90.792","0.008","90","","900.71","0.16","375","2","375","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C10 H22 Al N2 Na O12 -","- C10 H22 Al N2 Na O12 -","- C20 H44 Al2 N4 Na2 O24 -","2","0.5","","Ptak, Maciej; Mączka, Mirosław; Gągor, Anna; Sieradzki, Adam; Bondzior, Bartosz; Dereń, Przemysław; Pawlus, S.","Phase transitions and chromium(iii) luminescence in perovskite-type [C2H5NH3][Na0.5CrxAl0.5-x(HCOO)3] (x = 0, 0.025, 0.5), correlated with structural, dielectric and phonon properties.","Physical chemistry chemical physics : PCCP","2016","18","42","29629","29640","10.1039/c6cp05151k","","x-ray","0.71073","MoKα","","0.0931","0.0543","","","0.1201","0.1456","","","","","","1.033","","","","has coordinates,has disorder","188320","2020-10-21","18:00:00",""
"7226710","8.0343","0.0003","9.231","0.0004","11.9465","0.0005","90","","90.966","0.003","90","","885.88","0.06","270","2","270","2","","","","","","","","6","P 1 n 1","P -2yac","7","","","","- C10 H22 Al N2 Na O12 -","- C10 H22 Al N2 Na O12 -","- C20 H44 Al2 N4 Na2 O24 -","2","1","","Ptak, Maciej; Mączka, Mirosław; Gągor, Anna; Sieradzki, Adam; Bondzior, Bartosz; Dereń, Przemysław; Pawlus, S.","Phase transitions and chromium(iii) luminescence in perovskite-type [C2H5NH3][Na0.5CrxAl0.5-x(HCOO)3] (x = 0, 0.025, 0.5), correlated with structural, dielectric and phonon properties.","Physical chemistry chemical physics : PCCP","2016","18","42","29629","29640","10.1039/c6cp05151k","","x-ray","0.71073","MoKα","","0.0661","0.05","","","0.0932","0.1047","","","","","","1.039","","","","has coordinates","287753","2023-11-23","09:34:45",""
"7226711","8.10474","0.00009","9.26392","0.00011","12.04593","0.00014","90","","91.1766","0.001","90","","904.238","0.018","297","2","297","2","","","","","","","","6","P 1 n 1","P -2yac","7","","","","- C10 H22 Cr N2 Na O12 -","- C10 H22 Cr N2 Na O12 -","- C20 H44 Cr2 N4 Na2 O24 -","2","1","","Ptak, Maciej; Mączka, Mirosław; Gągor, Anna; Sieradzki, Adam; Bondzior, Bartosz; Dereń, Przemysław; Pawlus, S.","Phase transitions and chromium(iii) luminescence in perovskite-type [C2H5NH3][Na0.5CrxAl0.5-x(HCOO)3] (x = 0, 0.025, 0.5), correlated with structural, dielectric and phonon properties.","Physical chemistry chemical physics : PCCP","2016","18","42","29629","29640","10.1039/c6cp05151k","","","0.71073","MoKα","","0.0295","0.0247","","","0.0576","0.06","","","","","","1.178","","","","has coordinates","188320","2020-10-21","18:00:00",""
"7226712","8.1066","0.0006","9.3455","0.0011","12.1283","0.0013","90","","91.062","0.008","90","","918.68","0.16","400","2","400","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C10 H22 Cr N2 Na O12 -","- C10 H22 Cr N2 Na O12 -","- C20 H44 Cr2 N4 Na2 O24 -","2","0.5","","Ptak, Maciej; Mączka, Mirosław; Gągor, Anna; Sieradzki, Adam; Bondzior, Bartosz; Dereń, Przemysław; Pawlus, S.","Phase transitions and chromium(iii) luminescence in perovskite-type [C2H5NH3][Na0.5CrxAl0.5-x(HCOO)3] (x = 0, 0.025, 0.5), correlated with structural, dielectric and phonon properties.","Physical chemistry chemical physics : PCCP","2016","18","42","29629","29640","10.1039/c6cp05151k","","","0.71073","MoKα","","0.0622","0.0407","","","0.0954","0.1039","","","","","","1.056","","","","has coordinates,has disorder","188320","2020-10-21","18:00:00",""
"7226713","30.641","0.005","11.325","0.005","24.008","0.005","90","0.005","115.764","0.005","90","0.005","7503","4","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C45 H37 Cl3 Fe N2 O2 -","- C45 H37 Cl3 Fe N2 O2 -","- C360 H296 Cl24 Fe8 N16 O16 -","8","1","","pasupathy, saravanan; Shanmugam, Sundaramoorthy; R, Raghunathan","Regioselective synthesis of spiroxindolopyrrolidine: A one step cycoladdition reaction twists inherent optical and fluorescence property of Ferrocene-Anthracene dyad","RSC Adv.","2016","","","","","10.1039/C6RA22482B","","","0.71073","MoKα","","0.1399","0.0532","","","0.1255","0.1598","","","","","","1.016","","","","has coordinates","186931","2020-10-21","18:00:00",""
"7226714","14.5618","0.0003","16.5325","0.0004","31.0145","0.0007","90","","100.296","0.0009","90","","7346.3","0.3","93","2","93","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C41 H34 F6 O4 S2 -","- C41 H34 F6 O4 S2 -","- C328 H272 F48 O32 S16 -","8","2","","Morimoto, Masakazu; Kashihara, Ryota; Mutoh, Katsuya; Kobayashi, Yoichi; Abe, Jiro; Sotome, Hikaru; Ito, Syoji; Miyasaka, Hiroshi; Irie, Masahiro","Turn-on mode fluorescence photoswitching of diarylethene single crystals","CrystEngComm","2016","18","38","7241","","10.1039/C6CE00725B","","","1.54178","","","0.049","0.0464","","","0.1175","0.1197","","","","","","1.067","","","","has coordinates,has disorder","186974","2020-10-21","18:00:00",""
"7226715","15.0294","0.0002","15.1977","0.0002","10.6992","0.0001","90","","107.778","0.0005","90","","2327.13","0.05","223","2","223","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C25 H18 F6 O4 S2 -","- C25 H18 F6 O4 S2 -","- C100 H72 F24 O16 S8 -","4","0.5","","Morimoto, Masakazu; Kashihara, Ryota; Mutoh, Katsuya; Kobayashi, Yoichi; Abe, Jiro; Sotome, Hikaru; Ito, Syoji; Miyasaka, Hiroshi; Irie, Masahiro","Turn-on mode fluorescence photoswitching of diarylethene single crystals","CrystEngComm","2016","18","38","7241","","10.1039/C6CE00725B","","","1.54178","","","0.0372","0.0371","","","0.0964","0.0965","","","","","","1.035","","","","has coordinates","186974","2020-10-21","18:00:00",""
"7226716","22.287","0.008","7.31","0.002","5.3371","0.0017","90","","91.683","0.012","90","","869.1","0.5","293","2","293","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C7 H13 N O4 -","- C7 H13 N O4 -","- C28 H52 N4 O16 -","4","1","","Adhikari, Soma; Kar, Tanusree; Seth, Saikat Kumar","Synthesis, crystal growth and characterization of Di-valine maleic - a new nonlinear optical material","RSC Adv.","2016","","","","","10.1039/C6RA21466E","","","0.71073","MoKα","","0.0319","0.0314","","","0.0787","0.0792","","","","","","1.068","","","","has coordinates","186975","2020-10-21","18:00:00",""
"7226717","28.977","0.003","16.7308","0.0017","44.363","0.004","90","","97.407","0.002","90","","21328","4","293","2","293","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C150 H120 N30 Ni7 O81.08 P2 W22 -","- C150 H122.16 N30 Ni7 O81.08 P2 W22 -","- C600 H488.64 N120 Ni28 O324.32 P8 W88 -","4","0.5","","Wang, Chun-Jie; Yao, shuang; Chen, Yi-Zhen; Zhang, Zhi-Ming; Wang, Enbo","Assembly of polyoxometalates and Ni-bpy cationic units into the molecular core‒shell structures as the bifunctional electrocatalysts","RSC Adv.","2016","","","","","10.1039/C6RA19257B","","","0.71073","MoKα","","0.1051","0.0549","","","0.1261","0.1471","","","","","","0.991","","","","has coordinates,has disorder","186976","2020-10-21","18:00:00",""
"7226718","46.643","0.003","14.3057","0.0008","25.9696","0.0014","90","","90.006","0.002","90","","17328.5","1.7","296","2","296.15","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C65 H52 B N13 Ni2.5 O41 W12 -","- C65 H52 B N13 Ni2.5 O41 W12 -","- C520 H416 B8 N104 Ni20 O328 W96 -","8","1","","Wang, Chun-Jie; Yao, shuang; Chen, Yi-Zhen; Zhang, Zhi-Ming; Wang, Enbo","Assembly of polyoxometalates and Ni-bpy cationic units into the molecular core‒shell structures as the bifunctional electrocatalysts","RSC Adv.","2016","","","","","10.1039/C6RA19257B","","","0.71073","MoKα","","0.0671","0.0442","","","0.1008","0.1108","","","","","","1.029","","","","has coordinates","186976","2020-10-21","18:00:00",""
"7226719","46.756","0.009","14.374","0.003","26.151","0.005","90","","90.35","0.03","90","","17575","6","293","2","293","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C65 H52 Ge N13 Ni2.5 O41 W12 -","- C65 H52 Ge N13 Ni2.5 O41 W12 -","- C520 H416 Ge8 N104 Ni20 O328 W96 -","8","1","","Wang, Chun-Jie; Yao, shuang; Chen, Yi-Zhen; Zhang, Zhi-Ming; Wang, Enbo","Assembly of polyoxometalates and Ni-bpy cationic units into the molecular core‒shell structures as the bifunctional electrocatalysts","RSC Adv.","2016","","","","","10.1039/C6RA19257B","","","0.71073","MoKα","","0.1475","0.0728","","","0.1416","0.1692","","","","","","0.996","","","","has coordinates","186976","2020-10-21","18:00:00",""
"7226720","9.1414","0.0017","17.714","0.003","17.405","0.003","90","","114.274","0.008","90","","2569.2","0.8","291","2","291","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C26 H25 N7 O5 -","- C26 H25 N7 O5 -","- C104 H100 N28 O20 -","4","1","","Geng, Jiao; Xu, Dan; Zhao, Xiao-Lei; Feng, Ya-Nan; Qian, Hui-Fen; Dai, Yuan; Huang, Wei","N-acylamino-pyridine-2,6-dione based heterocyclic dyes and their oxidative ring-degradation under alkaline condition","RSC Adv.","2016","","","","","10.1039/C6RA21019H","","","0.71073","MoKα","","0.0892","0.062","","","0.1606","0.1823","","","","","","1.051","","","","has coordinates","186977","2020-10-21","18:00:00",""
"7226721","17.441","0.005","24.502","0.007","4.8317","0.0015","90","","90","","90","","2064.8","1.1","291","2","291","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C20 H22 N6 O6 -","- C20 H22 N6 O6 -","- C80 H88 N24 O24 -","4","1","","Geng, Jiao; Xu, Dan; Zhao, Xiao-Lei; Feng, Ya-Nan; Qian, Hui-Fen; Dai, Yuan; Huang, Wei","N-acylamino-pyridine-2,6-dione based heterocyclic dyes and their oxidative ring-degradation under alkaline condition","RSC Adv.","2016","","","","","10.1039/C6RA21019H","","","0.71073","MoKα","","0.1429","0.0461","","","0.0849","0.1166","","","","","","0.964","","","","has coordinates","186977","2020-10-21","18:00:00",""
"7226722","9.7678","0.0007","8.9291","0.0005","12.0069","0.0008","90","","109.007","0.005","90","","990.12","0.12","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C16 H24 N4 S4 -","- C16 H24 N4 S4 -","- C32 H48 N8 S8 -","2","0.5","","Opris, Dorina; Caspari, Philip; Nueesch, Frank; Neels, Antonia","Mild synthesis of mercaptonitriles from vinyl nitriles and their cyclization reactions","RSC Adv.","2016","","","","","10.1039/C6RA21948A","","","0.71073","MoKα","","0.0579","0.0525","","","0.151","0.1653","","","","","","1.06","","","","has coordinates","186978","2020-10-21","18:00:00",""
"7226723","15.704","0.0008","7.7645","0.0004","15.7661","0.0009","90","","133.64","0.003","90","","1391.24","0.15","173","2","173","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C6 H8 N2 S -","- C6 H8 N2 S -","- C48 H64 N16 S8 -","8","1","","Opris, Dorina; Caspari, Philip; Nueesch, Frank; Neels, Antonia","Mild synthesis of mercaptonitriles from vinyl nitriles and their cyclization reactions","RSC Adv.","2016","","","","","10.1039/C6RA21948A","","","0.71073","MoKα","","0.0357","0.0301","","","0.0876","0.0969","","","","","","1.149","","","","has coordinates","186978","2020-10-21","18:00:00",""
"7226724","17.3808","0.001","9.7356","0.0005","16.4358","0.0009","90","","131.088","0.003","90","","2096.2","0.2","173","2","173","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C10 H11 N3 -","- C10 H11 N3 -","- C80 H88 N24 -","8","1","","Opris, Dorina; Caspari, Philip; Nueesch, Frank; Neels, Antonia","Mild synthesis of mercaptonitriles from vinyl nitriles and their cyclization reactions","RSC Adv.","2016","","","","","10.1039/C6RA21948A","","","0.71073","MoKα","","0.0607","0.0489","","","0.1298","0.1413","","","","","","1.061","","","","has coordinates","186978","2020-10-21","18:00:00",""
"7226725","24.2823","0.0009","24.2823","0.0009","13.0875","0.0006","90","","90","","120","","6682.9","0.5","173","2","173","2","","","","","","","","6","P -3","-P 3","147","","","","- C42 H54 Cl2 N3.33 O3 Pd -","- C42 H52 Cl2 N3.33333 O2 Pd -","- C252 H312 Cl12 N20 O12 Pd6 -","6","1","","Wang, Tao; Liu, Lantao; Xu, Kai; Xie, Huanping; Shen, Hui; Zhao, Wen-Xian","Synthesis and characterization of trinuclear N-heterocyclic carbene-palladium(II) complexes and their applications in the Suzuki-Miyaura cross-coupling reaction","RSC Adv.","2016","","","","","10.1039/C6RA20852E","","","0.71073","MoKα","","0.102","0.0921","","","0.2307","0.2406","","","","","","1.052","","","","has coordinates","186979","2020-10-21","18:00:00",""
"7226726","14.697","0.003","6.6112","0.0011","17.826","0.003","90","","96.96","0.004","90","","1719.3","0.5","298","1","298","1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","(Z)-Diphenyl(styryl)phosphine sulfide","","- C20 H17 P S -","- C20 H17 P S -","- C80 H68 P4 S4 -","4","1","","Moglie, Yanina; González-Soria, María José; Martín-García, Iris; Radivoy, Gabriel; Alonso, Francisco","Catalyst- and solvent-free hydrophosphination and multicomponent hydrothiophosphination of alkenes and alkynes","Green Chem.","2016","18","18","4896","","10.1039/C6GC00903D","","","0.71073","MoKα","","0.0538","0.0395","","","0.097","0.1062","","","","","","1.028","","","","has coordinates","186980","2020-10-21","18:00:00",""
"7226727","5.719","0.0003","17.9432","0.001","9.0209","0.0005","90","","99.0333","0.0015","90","","914.22","0.09","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","(S)-[(4-Isopropylcyclohex-1-en-1-yl)methyl]diphenylphosphine oxide","","- C22 H27 O P -","- C22 H27 O P -","- C44 H54 O2 P2 -","2","1","","Moglie, Yanina; González-Soria, María José; Martín-García, Iris; Radivoy, Gabriel; Alonso, Francisco","Catalyst- and solvent-free hydrophosphination and multicomponent hydrothiophosphination of alkenes and alkynes","Green Chem.","2016","18","18","4896","","10.1039/C6GC00903D","","","1.54178","CuKα","","0.0308","0.0305","","","0.0741","0.0744","","","","","","1.123","","","","has coordinates","186981","2020-10-21","18:00:00",""
"7226728","16.6796","0.0002","16.6796","0.0002","11.9659","0.0002","90","","90","","90","","3329.02","0.08","173","2","173","2","","","","","","","","5","P 42/n :2","-P 4bc","86","","","","- C60 H84 N4 O12 S8 -","- C60 H80 N4 O12 S8 -","- C120 H160 N8 O24 S16 -","2","0.25","","Ovsyannikov, A. S.; Lang, M. N.; Ferlay, S.; Solovieva, S. E.; Antipin, I. S.; Konovalov, A. I.; Kyritsakas, N.; Hosseini, M. W.","Molecular tectonics: tetracarboxythiacalix[4]arene derivatives as tectons for the formation of hydrogen-bonded networks","CrystEngComm","2016","18","44","8622","","10.1039/C6CE02026G","","","0.71073","MoKα","","0.0743","0.0523","","","0.1536","0.1763","","","","","","1.052","","","","has coordinates,has disorder","190086","2020-10-21","18:00:00",""
"7226729","12.7393","0.0003","15.3611","0.0003","17.4026","0.0004","64.301","0.001","82.054","0.001","80.592","0.001","3018.67","0.12","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C56 H72 O8 S8 -","- C56 H72 O8 S8 -","- C112 H144 O16 S16 -","2","1","","Ovsyannikov, A. S.; Lang, M. N.; Ferlay, S.; Solovieva, S. E.; Antipin, I. S.; Konovalov, A. I.; Kyritsakas, N.; Hosseini, M. W.","Molecular tectonics: tetracarboxythiacalix[4]arene derivatives as tectons for the formation of hydrogen-bonded networks","CrystEngComm","2016","18","44","8622","","10.1039/C6CE02026G","","","0.71073","MoKα","","0.1074","0.0573","","","0.13","0.1552","","","","","","1.03","","","","has coordinates,has disorder","190086","2020-10-21","18:00:00",""
"7226730","15.1566","0.0009","13.6474","0.0007","28.4065","0.0019","90","","92.503","0.002","90","","5870.2","0.6","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C57 H73 Cl3 O12 S4 -","- C57 H73 Cl3 O12 S4 -","- C228 H292 Cl12 O48 S16 -","4","1","","Ovsyannikov, A. S.; Lang, M. N.; Ferlay, S.; Solovieva, S. E.; Antipin, I. S.; Konovalov, A. I.; Kyritsakas, N.; Hosseini, M. W.","Molecular tectonics: tetracarboxythiacalix[4]arene derivatives as tectons for the formation of hydrogen-bonded networks","CrystEngComm","2016","18","44","8622","","10.1039/C6CE02026G","","","0.71073","MoKα","","0.1787","0.0943","","","0.2132","0.2653","","","","","","1.043","","","","has coordinates","190086","2020-10-21","18:00:00",""
"7226731","12.2472","0.0003","15.6106","0.0004","20.633","0.0006","92.39","0.002","96.895","0.001","96.801","0.001","3882.4","0.18","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C145 H150 Cl2 O18 S16 -","- C145 H144 Cl2 O18 S16 -","- C145 H144 Cl2 O18 S16 -","1","0.5","","Ovsyannikov, A. S.; Lang, M. N.; Ferlay, S.; Solovieva, S. E.; Antipin, I. S.; Konovalov, A. I.; Kyritsakas, N.; Hosseini, M. W.","Molecular tectonics: tetracarboxythiacalix[4]arene derivatives as tectons for the formation of hydrogen-bonded networks","CrystEngComm","2016","18","44","8622","","10.1039/C6CE02026G","","","0.71073","MoKα","","0.0854","0.0616","","","0.1956","0.2153","","","","","","1.105","","","","has coordinates","190086","2020-10-21","18:00:00",""
"7226732","41.2998","0.0017","16.5977","0.0007","29.4977","0.0011","90","","125.525","0.001","90","","16456.4","1.2","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C138 H196 N16 O21 S16 -","- C138 H196 N16 O21 S16 -","- C552 H784 N64 O84 S64 -","4","0.5","","Ovsyannikov, A. S.; Lang, M. N.; Ferlay, S.; Solovieva, S. E.; Antipin, I. S.; Konovalov, A. I.; Kyritsakas, N.; Hosseini, M. W.","Molecular tectonics: tetracarboxythiacalix[4]arene derivatives as tectons for the formation of hydrogen-bonded networks","CrystEngComm","2016","18","44","8622","","10.1039/C6CE02026G","","","0.71073","MoKα","","0.2029","0.1084","","","0.2986","0.3609","","","","","","1.045","","","","has coordinates","190086","2020-10-21","18:00:00",""
"7226733","40.449","0.01","10.2346","0.0017","33.844","0.008","90","","90","","90","","14011","5","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C76 H76 N8 O12 S4 -","- C76 H76 N8 O12 S4 -","- C608 H608 N64 O96 S32 -","8","2","","Ovsyannikov, A. S.; Lang, M. N.; Ferlay, S.; Solovieva, S. E.; Antipin, I. S.; Konovalov, A. I.; Kyritsakas, N.; Hosseini, M. W.","Molecular tectonics: tetracarboxythiacalix[4]arene derivatives as tectons for the formation of hydrogen-bonded networks","CrystEngComm","2016","18","44","8622","","10.1039/C6CE02026G","","","0.71073","MoKα","","0.2248","0.0887","","","0.1599","0.1925","","","","","","1.026","","","","has coordinates","190086","2020-10-21","18:00:00",""
"7226734","11.0804","0.0005","22.8508","0.001","19.1244","0.0006","90","","105.727","0.001","90","","4660.9","0.3","173","2","173","2","","","","","","","","5","P 1 2/n 1","-P 2yac","13","","","","- C92 H112 N8 O10 S8 -","- C92 H104 N8 O10 S8 -","- C184 H208 N16 O20 S16 -","2","0.5","","Ovsyannikov, A. S.; Lang, M. N.; Ferlay, S.; Solovieva, S. E.; Antipin, I. S.; Konovalov, A. I.; Kyritsakas, N.; Hosseini, M. W.","Molecular tectonics: tetracarboxythiacalix[4]arene derivatives as tectons for the formation of hydrogen-bonded networks","CrystEngComm","2016","18","44","8622","","10.1039/C6CE02026G","","","0.71073","MoKα","","0.2288","0.1264","","","0.2812","0.3383","","","","","","1.019","","","","has coordinates,has disorder","190086","2020-10-21","18:00:00",""
"7226735","33.2961","0.001","11.7323","0.0003","20.7114","0.0005","90","","114.114","0.001","90","","7384.7","0.3","173","2","173","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C133 H186 N8 O18 S16 -","- C133 H184 N8 O18 S16 -","- C266 H368 N16 O36 S32 -","2","0.5","","Ovsyannikov, A. S.; Lang, M. N.; Ferlay, S.; Solovieva, S. E.; Antipin, I. S.; Konovalov, A. I.; Kyritsakas, N.; Hosseini, M. W.","Molecular tectonics: tetracarboxythiacalix[4]arene derivatives as tectons for the formation of hydrogen-bonded networks","CrystEngComm","2016","18","44","8622","","10.1039/C6CE02026G","","","0.71073","MoKα","","0.0951","0.066","","","0.1821","0.2051","","","","","","1.021","","","","has coordinates","190086","2020-10-21","18:00:00",""
"7226736","19.711","0.005","8.983","0.002","26.52","0.006","90","","90","","90","","4695.7","1.9","100","2","100","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C48 H34 N6 O2 -","- C48 H34 N6 O2 -","- C192 H136 N24 O8 -","4","0.5","","Salpage, Sahan R.; Xu, Yuewen; Som, Bozumeh; Sindt, Ammon J.; Smith, Mark D.; Shimizu, Linda S.","Pyridyl-phenylethynylene Bis-Urea Macrocycle: Self-assembly and Utility as a Nanoreactor for the Selective Photoreaction of Isoprene","RSC Adv.","2016","","","","","10.1039/C6RA18681E","","","0.71073","MoKα","","0.0909","0.0596","","","0.1732","0.1868","","","","","","1.08","","","","has coordinates","187016","2020-10-21","18:00:00",""
"7226737","9.6662","0.0004","18.89","0.0008","14.4567","0.0006","90","","91.464","0.001","90","","2638.85","0.19","150","2","150","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C61 H58 Cl2 N8 O2 -","- C61 H59 Cl1.98 N8 O2 -","- C122 H118 Cl3.96 N16 O4 -","2","0.5","","Salpage, Sahan R.; Xu, Yuewen; Som, Bozumeh; Sindt, Ammon J.; Smith, Mark D.; Shimizu, Linda S.","Pyridyl-phenylethynylene Bis-Urea Macrocycle: Self-assembly and Utility as a Nanoreactor for the Selective Photoreaction of Isoprene","RSC Adv.","2016","","","","","10.1039/C6RA18681E","","","0.71073","MoKα","","0.1066","0.075","","","0.2161","0.241","","","","","","1.017","","","","has coordinates,has disorder","187016","2020-10-21","18:00:00",""
"7226738","5.6838","0.0009","11.4266","0.0019","13.585","0.002","90","","95.904","0.004","90","","877.6","0.2","150","","150","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C6 H20 Cu3 O16 S2 -","- C6 H20 Cu3 O16 S2 -","- C12 H40 Cu6 O32 S4 -","2","0.5","","Fujita, Wataru; Tokumitu, Akio; Fujii, Yutaka; Kikuchi, Hikomitsu","Crystal growth, structures and magnetic properties of copper hydroxide compounds with distorted diamond chain magnetic networks","CrystEngComm","2016","18","44","8614","","10.1039/C6CE01631F","","","0.71075","MoKα","","0.0667","0.0574","","","0.1457","0.1598","","","","","","1.188","","","","has coordinates","190085","2020-10-21","18:00:00",""
"7226739","5.608","0.0004","8.6585","0.0007","17.5909","0.0019","88.075","0.005","89.276","0.005","77.558","0.005","833.62","0.13","150","","150","","","","","","","","","5","P -1","-P 1","2","","","","- C20 H50 Cu3 O16 S2 -","- C20 H50 Cu3 O16 S2 -","- C20 H50 Cu3 O16 S2 -","1","0.5","","Fujita, Wataru; Tokumitu, Akio; Fujii, Yutaka; Kikuchi, Hikomitsu","Crystal growth, structures and magnetic properties of copper hydroxide compounds with distorted diamond chain magnetic networks","CrystEngComm","2016","18","44","8614","","10.1039/C6CE01631F","","","0.71075","MoKα","","0.0351","0.0315","","","0.0784","0.0811","","","","","","1.044","","","","has coordinates","190085","2020-10-21","18:00:00",""
"7226740","5.7415","0.0004","8.794","0.0006","27.737","0.002","83.89","0.004","89.704","0.005","80.177","0.004","1371.97","0.17","150","","150","","","","","","","","","5","P -1","-P 1","2","","","","- C18 H30 Cu3 O16 S2 -","- C18 H30 Cu3 O16 S2 -","- C36 H60 Cu6 O32 S4 -","2","1","","Fujita, Wataru; Tokumitu, Akio; Fujii, Yutaka; Kikuchi, Hikomitsu","Crystal growth, structures and magnetic properties of copper hydroxide compounds with distorted diamond chain magnetic networks","CrystEngComm","2016","18","44","8614","","10.1039/C6CE01631F","","","0.71075","MoKα","","0.0498","0.0367","","","0.089","0.0936","","","","","","0.912","","","","has coordinates","190085","2020-10-21","18:00:00",""
"7226741","5.766","0.002","8.639","0.004","15.848","0.007","101.4","0.007","99.046","0.009","100.39","0.011","745.8","0.5","150","","150","","","","","","","","","5","P -1","-P 1","2","","","","- C20 H34 Cu3 O16 S2 -","- C20 H34 Cu3 O16 S2 -","- C20 H34 Cu3 O16 S2 -","1","0.5","","Fujita, Wataru; Tokumitu, Akio; Fujii, Yutaka; Kikuchi, Hikomitsu","Crystal growth, structures and magnetic properties of copper hydroxide compounds with distorted diamond chain magnetic networks","CrystEngComm","2016","18","44","8614","","10.1039/C6CE01631F","","","0.71075","MoKα","","0.0466","0.0402","","","0.1254","0.1434","","","","","","1.145","","","","has coordinates","190085","2020-10-21","18:00:00",""
"7226742","17.2932","0.0013","5.7712","0.0002","31.2089","0.0019","90","","93.088","0.004","90","","3110.2","0.3","150","","150","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H32 Cu3 O17 S2 -","- C24 H30 Cu3 O17 S2 -","- C96 H120 Cu12 O68 S8 -","4","1","","Fujita, Wataru; Tokumitu, Akio; Fujii, Yutaka; Kikuchi, Hikomitsu","Crystal growth, structures and magnetic properties of copper hydroxide compounds with distorted diamond chain magnetic networks","CrystEngComm","2016","18","44","8614","","10.1039/C6CE01631F","","","0.71075","MoKα","","0.0756","0.0489","","","0.1018","0.1166","","","","","","1.052","","","","has coordinates","190085","2020-10-21","18:00:00",""
"7226743","5.6096","0.0002","8.9824","0.0006","12.1172","0.0009","86.288","0.006","77.183","0.006","77.676","0.006","581.53","0.06","173","","173","","","","","","","","","5","P -1","-P 1","2","","","","- C14 H22 Cu3 O16 S2 -","- C14 H22 Cu3 O16 S2 -","- C14 H22 Cu3 O16 S2 -","1","0.5","","Fujita, Wataru; Tokumitu, Akio; Fujii, Yutaka; Kikuchi, Hikomitsu","Crystal growth, structures and magnetic properties of copper hydroxide compounds with distorted diamond chain magnetic networks","CrystEngComm","2016","18","44","8614","","10.1039/C6CE01631F","","","0.71075","MoKα","","0.0333","0.0298","","","0.0752","0.0774","","","","","","1.101","","","","has coordinates","190085","2020-10-21","18:00:00",""
"7226744","9.2709","0.0007","10.6339","0.0017","11.848","0.002","82.673","0.016","70.523","0.014","69.251","0.012","1029.7","0.3","150","","150","","","","","","","","","5","P -1","-P 1","2","","","","- C14 H18 Cu3 O14 S2 -","- C14 H18 Cu3 O14 S2 -","- C28 H36 Cu6 O28 S4 -","2","1","","Fujita, Wataru; Tokumitu, Akio; Fujii, Yutaka; Kikuchi, Hikomitsu","Crystal growth, structures and magnetic properties of copper hydroxide compounds with distorted diamond chain magnetic networks","CrystEngComm","2016","18","44","8614","","10.1039/C6CE01631F","","","0.71075","MoKα","","0.0388","0.031","","","0.0782","0.0864","","","","","","0.983","","","","has coordinates","190085","2020-10-21","18:00:00",""
"7226745","14.2783","0.0002","9.93551","0.00015","14.7043","0.0003","90","","99.5877","0.0017","90","","2056.85","0.06","292.36","0.1","292.36","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","AP/B18C6 cocrystal","","- C16 H28 Cl N O10 -","- C16 H28 Cl N O10 -","- C64 H112 Cl4 N4 O40 -","4","1","","Cheng, Minmin; Liu, Xun; Luo, Qingping; Duan, Xiaohui; Pei, Chonghua","Cocrystals of ammonium perchlorate with a series of crown ethers: preparation, structures, and properties","CrystEngComm","2016","18","43","8487","","10.1039/C6CE01455K","","x-ray","1.54184","CuKα","","0.0774","0.0706","","","0.2059","0.2167","","","","","","1.055","","","","has coordinates","188085","2020-10-21","18:00:00",""
"7226746","12.6348","0.0002","12.918","0.0002","20.7752","0.0003","90","","107.36","0.0017","90","","3236.39","0.09","294.39","0.1","294.39","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","AP/DB18C6 cocrystal","","- C30 H40 Cl N O13 -","- C30 H40 Cl N O13 -","- C120 H160 Cl4 N4 O52 -","4","1","","Cheng, Minmin; Liu, Xun; Luo, Qingping; Duan, Xiaohui; Pei, Chonghua","Cocrystals of ammonium perchlorate with a series of crown ethers: preparation, structures, and properties","CrystEngComm","2016","18","43","8487","","10.1039/C6CE01455K","","x-ray","1.54184","CuKα","","0.0894","0.0823","","","0.248","0.26","","","","","","1.049","","","","has coordinates","188085","2020-10-21","18:00:00",""
"7226747","21.9447","0.0009","8.6823","0.0003","22.5551","0.0011","90","","118.257","0.006","90","","3785.3","0.3","176.41","0.1","176.41","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","AP/18C6","cocrystal","","- C12 H28 Cl N O10 -","- C12 H28 Cl N O10 -","- C96 H224 Cl8 N8 O80 -","8","2","","Cheng, Minmin; Liu, Xun; Luo, Qingping; Duan, Xiaohui; Pei, Chonghua","Cocrystals of ammonium perchlorate with a series of crown ethers: preparation, structures, and properties","CrystEngComm","2016","18","43","8487","","10.1039/C6CE01455K","","x-ray","1.54184","CuKα","","0.0672","0.0585","","","0.1616","0.1727","","","","","","1.041","","","","has coordinates","194155","2020-10-21","18:00:00",""
"7226748","18.0441","0.0008","18.0441","0.0008","8.3135","0.0007","90","","90","","90","","2706.8","0.3","100","2","100","2","","","","","","","","6","I 41/a","-I 4ad","88","","","","- C24 H20 Dy N8 Na O8 -","- C24 H20 Dy N8 Na O8 -","- C96 H80 Dy4 N32 Na4 O32 -","4","","","Fernández, Belén; Oyarzabal, Itziar; Fischer-Fodor, Eva; Macavei, Sergiu; Sánchez, Ignacio; Seco, José M.; Gómez-Ruiz, Santiago; Rodríguez-Diéguez, Antonio","Multifunctional applications of a dysprosium-based metal‒organic chain with single-ion magnet behaviour","CrystEngComm","2016","18","45","8718","","10.1039/C6CE01810F","","","0.71069","MoKα","","0.0719","0.0459","","","0.1205","0.1508","","","","","","1.231","","","","has coordinates","190083","2020-10-21","18:00:00",""
"7226749","7.3261","0.0005","20.1659","0.0012","13.1676","0.0008","90","","102.555","0.007","90","","1898.8","0.2","100.01","0.1","100.01","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","3-(2-methoxypyridin-3-yl)-1,1-dimethylurea","","- C9 H13 N3 O2 -","- C9 H13 N3 O2 -","- C72 H104 N24 O16 -","8","2","","Rassadin, Valentin A.; Zimin, Dmitry P.; Raskil'dina, Gulnara Z.; Ivanov, Alexander Yu.; Boyarskiy, Vadim P.; Zlotskii, Semen S.; Kukushkin, Vadim Yu.","Solvent- and halide-free synthesis of pyridine-2-yl substituted ureas through facile C‒H functionalization of pyridine N-oxides","Green Chem.","2016","18","24","6630","","10.1039/C6GC02556K","","","0.71073","MoKα","","0.0737","0.0542","","","0.1212","0.1325","","","","","","1.05","","","","has coordinates","190219","2020-10-21","18:00:00",""
"7226750","4.18964","0.00013","21.1953","0.0008","10.4364","0.0004","90","","95.814","0.003","90","","921.99","0.06","100.01","0.1","100.01","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","3-(6-bromopyridin-2-yl)-1,1-dimethylurea","","- C8 H10 Br N3 O -","- C8 H10 Br N3 O -","- C32 H40 Br4 N12 O4 -","4","1","","Rassadin, Valentin A.; Zimin, Dmitry P.; Raskil'dina, Gulnara Z.; Ivanov, Alexander Yu.; Boyarskiy, Vadim P.; Zlotskii, Semen S.; Kukushkin, Vadim Yu.","Solvent- and halide-free synthesis of pyridine-2-yl substituted ureas through facile C‒H functionalization of pyridine N-oxides","Green Chem.","2016","18","24","6630","","10.1039/C6GC02556K","","","0.71073","MoKα","","0.0657","0.0503","","","0.0946","0.1016","","","","","","1.132","","","","has coordinates","190219","2020-10-21","18:00:00",""
"7226751","4.1274","0.0003","20.8167","0.0012","10.4887","0.0006","90","","95.909","0.005","90","","896.39","0.1","100.01","0.1","100.01","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","3-(6-chloropyridin-2-yl)-1,1-dimethylurea","","- C8 H10 Cl N3 O -","- C8 H10 Cl N3 O -","- C32 H40 Cl4 N12 O4 -","4","1","","Rassadin, Valentin A.; Zimin, Dmitry P.; Raskil'dina, Gulnara Z.; Ivanov, Alexander Yu.; Boyarskiy, Vadim P.; Zlotskii, Semen S.; Kukushkin, Vadim Yu.","Solvent- and halide-free synthesis of pyridine-2-yl substituted ureas through facile C‒H functionalization of pyridine N-oxides","Green Chem.","2016","18","24","6630","","10.1039/C6GC02556K","","","0.71073","MoKα","","0.0552","0.0416","","","0.0926","0.1028","","","","","","1.075","","","","has coordinates","190219","2020-10-21","18:00:00",""
"7226752","11.9094","0.0013","7.3443","0.0008","30.494","0.004","90","","91.547","0.004","90","","2666.2","0.5","295","2","295","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C31 H32 N2 O4 -","- C31 H32 N2 O4 -","- C124 H128 N8 O16 -","4","1","","Mahapatra, Ajit Kumar; Ali, Syed Samim; Maiti, Kalipada; Mondal, Sanchita; Maji, Rajkishor; Manna, Srimanta; Manna, Saikat Kumar; Uddin, Md. Raihan; Mandal, Sukhendu","Highly Sensitive Ratiometric Fluorescence Probes for Nitric Oxide Based on Dihydropyridine and Potentially Useful in Bioimaging","RSC Adv.","2016","","","","","10.1039/C6RA23139J","","","0.71073","MoKα","","0.1066","0.0877","","","0.2118","0.2272","","","","","","1.028","","","","has coordinates,has disorder","187224","2020-10-21","18:00:00",""
"7226753","8.69","0.005","9.93","0.005","13.591","0.005","90","0.005","90.853","0.005","90","0.005","1172.7","1","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C29 H22 N O4 -","- C29 H22 N O4 -","- C58 H44 N2 O8 -","2","1","","Mahapatra, Ajit Kumar; Ali, Syed Samim; Maiti, Kalipada; Mondal, Sanchita; Maji, Rajkishor; Manna, Srimanta; Manna, Saikat Kumar; Uddin, Md. Raihan; Mandal, Sukhendu","Highly Sensitive Ratiometric Fluorescence Probes for Nitric Oxide Based on Dihydropyridine and Potentially Useful in Bioimaging","RSC Adv.","2016","","","","","10.1039/C6RA23139J","","","0.71073","MoKα","","0.1038","0.0867","","","0.2181","0.2417","","","","","","1.047","","","","has coordinates","187224","2020-10-21","18:00:00",""
"7226754","13.3748","0.0007","15.9256","0.0008","26.3938","0.0013","90","","90","","90","","5621.9","0.5","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C19 H26 N4 O2 -","- C19 H26 N4 O2 -","- C228 H312 N48 O24 -","12","3","","Balachandran, Chandrasekar; Chennakesava Rao, K.; Arun, Y.; Emi, N.; Yamamoto, Naoki; Inaguma, Yoko; Okamoto, Akinao; Easwaramoorthi, K.; Paramasivan Thirumalai, Perumal","Synthetic investigation on chirally pure Mannich derivatives of pseudophenylpropanolamine and their anticancer properties against HepG-2 cells with inhibition of JAK2/STAT3","RSC Adv.","2016","","","","","10.1039/C6RA22480F","","","0.71073","MoKα","","0.1326","0.0592","","","0.1323","0.1653","","","","","","0.954","","","","has coordinates","187225","2020-10-21","18:00:00",""
"7226755","10.7017","0.0001","23.314","0.0004","13.8832","0.0002","90","","103.094","0.0009","90","","3373.79","0.08","295","","295","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C39 H38 Cl2 N2 O Ru -","- C39 H38 Cl2 N2 O Ru -","- C156 H152 Cl8 N8 O4 Ru4 -","4","1","","Perfetto, Alessandra; Bertolasi, Valerio; Costabile, Chiara; Paradiso, Veronica; Caruso, Tonino; Longo, Pasquale; Grisi, Fabia","Methyl and phenyl substituent effects on the catalytic behavior of NHC ruthenium complexes","RSC Adv.","2016","6","98","95793","","10.1039/C6RA20608E","","","0.71073","MoKα","","0.0443","0.0299","","","0.0654","0.0696","","","","","","1.015","","","","has coordinates","187226","2020-10-21","18:00:00",""
"7226756","10.2032","0.0002","19.764","0.0005","14.072","0.0003","90","","97.576","0.0013","90","","2812.93","0.11","295","","295","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C27 H32 Cl N2 Rh -","- C27 H32 Cl N2 Rh -","- C108 H128 Cl4 N8 Rh4 -","4","1","","Perfetto, Alessandra; Bertolasi, Valerio; Costabile, Chiara; Paradiso, Veronica; Caruso, Tonino; Longo, Pasquale; Grisi, Fabia","Methyl and phenyl substituent effects on the catalytic behavior of NHC ruthenium complexes","RSC Adv.","2016","6","98","95793","","10.1039/C6RA20608E","","","0.71073","MoKα","","0.0538","0.0416","","","0.1235","0.1308","","","","","","1.067","","","","has coordinates","187226","2020-10-21","18:00:00",""
"7226757","20.1677","0.0006","15.692","0.0004","21.7767","0.0006","90","","100.467","0.0016","90","","6777","0.3","295","","295","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C37 H38 Cl N2 Rh -","- C37 H38 Cl N2 Rh -","- C296 H304 Cl8 N16 Rh8 -","8","1","","Perfetto, Alessandra; Bertolasi, Valerio; Costabile, Chiara; Paradiso, Veronica; Caruso, Tonino; Longo, Pasquale; Grisi, Fabia","Methyl and phenyl substituent effects on the catalytic behavior of NHC ruthenium complexes","RSC Adv.","2016","6","98","95793","","10.1039/C6RA20608E","","","0.71073","MoKα","","0.0703","0.0408","","","0.1025","0.1126","","","","","","1.05","","","","has coordinates","187226","2020-10-21","18:00:00",""
"7226758","8.2473","0.0002","18.8543","0.0007","10.5818","0.0003","90","","111.131","0.0017","90","","1534.8","0.08","295","","295","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C37 H38 Cl N2 Rh -","- C37 H38 Cl N2 Rh -","- C74 H76 Cl2 N4 Rh2 -","2","1","","Perfetto, Alessandra; Bertolasi, Valerio; Costabile, Chiara; Paradiso, Veronica; Caruso, Tonino; Longo, Pasquale; Grisi, Fabia","Methyl and phenyl substituent effects on the catalytic behavior of NHC ruthenium complexes","RSC Adv.","2016","6","98","95793","","10.1039/C6RA20608E","","","0.71073","MoKα","","0.0497","0.0392","","","0.0962","0.102","","","","","","1.042","","","","has coordinates,has disorder","187226","2020-10-21","18:00:00",""
"7226759","11.6821","0.0003","16.0026","0.0006","22.6928","0.0009","93.279","0.0019","103.21","0.003","91.676","0.002","4119.4","0.3","295","","295","","","","","","","","","5","P -1","-P 1","2","","","","- C47.5 H43 Cl2 N2 Rh -","- C47.5 H43 Cl2 N2 Rh -","- C190 H172 Cl8 N8 Rh4 -","4","2","","Perfetto, Alessandra; Bertolasi, Valerio; Costabile, Chiara; Paradiso, Veronica; Caruso, Tonino; Longo, Pasquale; Grisi, Fabia","Methyl and phenyl substituent effects on the catalytic behavior of NHC ruthenium complexes","RSC Adv.","2016","6","98","95793","","10.1039/C6RA20608E","","","0.71073","MoKα","","0.1207","0.0649","","","0.1579","0.1803","","","","","","1.037","","","","has coordinates","187226","2020-10-21","18:00:00",""
"7226760","5.981","0.004","14.384","0.004","19.951","0.003","90","","92.31","0.03","90","","1715","1.3","296","2","296","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","1,4-bis(3-(4-butylphenyl)quinoxalin-2-yl)benzene","","- C42 H38 N4 -","- C42 H38 N4 -","- C84 H76 N8 -","2","0.5","","Yang, Jun Wei; Zhu, Haoyun; Huang, Yu Li; Huang, Wei; Wang, Weizhi","Design and Synthesis of Extended Quinoxaline Derivativesis and Their Charge Transport Properties","RSC Adv.","2016","","","","","10.1039/C6RA22677A","","","0.71073","MoKα","","0.1107","0.0621","","","0.1459","0.1596","","","","","","1.085","","","","has coordinates","187227","2020-10-21","18:00:00",""
"7226761","10.2321","0.0004","11.9576","0.0005","12.27","0.0005","91.001","0.001","99.561","0.001","100.188","0.001","1455.36","0.1","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","(Z)-3-(3,4-dimethoxyphenyl)-2-(4-nitrophenyl)acrylonitrile","","- C17 H14 N2 O4 -","- C17 H14 N2 O4 -","- C68 H56 N8 O16 -","4","2","","Jha, Kunal Kumar; Dutta, Sanjay; Kumar, Vijay; Munshi, Parthapratim","Isostructural polymorphs: qualitative insights from energy frameworks","CrystEngComm","2016","18","43","8497","","10.1039/C6CE01501H","","","0.71073","MoKα","","0.0557","0.0405","","","0.0942","0.1017","","","","","","1.038","","","","has coordinates","188083","2020-10-21","18:00:00",""
"7226762","8.6636","0.0004","11.9452","0.0006","14.3305","0.0007","100.527","0.002","90.917","0.002","95.64","0.002","1450.15","0.12","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","(Z)-3-(3,4-dimethoxyphenyl)-2-(4-nitrophenyl)acrylonitrile","","- C17 H14 N2 O4 -","- C17 H14 N2 O4 -","- C68 H56 N8 O16 -","4","2","","Jha, Kunal Kumar; Dutta, Sanjay; Kumar, Vijay; Munshi, Parthapratim","Isostructural polymorphs: qualitative insights from energy frameworks","CrystEngComm","2016","18","43","8497","","10.1039/C6CE01501H","","","0.71073","MoKα","","0.0883","0.0628","","","0.139","0.1495","","","","","","1.106","","","","has coordinates","188083","2020-10-21","18:00:00",""
"7226763","7.6956","0.0002","12.3234","0.0004","15.6647","0.0005","82.079","0.001","86.38","0.001","84.459","0.001","1462.66","0.08","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","(Z)-3-(3,4-dimethoxyphenyl)-2-(4-nitrophenyl)acrylonitrile","","- C17 H14 N2 O4 -","- C17 H14 N2 O4 -","- C68 H56 N8 O16 -","4","2","","Jha, Kunal Kumar; Dutta, Sanjay; Kumar, Vijay; Munshi, Parthapratim","Isostructural polymorphs: qualitative insights from energy frameworks","CrystEngComm","2016","18","43","8497","","10.1039/C6CE01501H","","","0.71073","MoKα","","0.0609","0.0457","","","0.1047","0.1122","","","","","","1.053","","","","has coordinates","188083","2020-10-21","18:00:00",""
"7226766","10.7602","0.0007","10.3933","0.0006","21.0922","0.0011","90","","113.25","0.003","90","","2167.3","0.2","298","2","298","2","","","","","","","","6","P 1 2/c 1","-P 2yc","13","","","","- C18 H12.5 Eu N2.5 O13.5 Zn -","- C18 H11.5 Eu N2.5 O13.5 Zn -","- C72 H46 Eu4 N10 O54 Zn4 -","4","1","","Zheng, Sheng-Run; Tan, Jing-Bo; Cai, Song-Liang; Fan, Jun; Zhang, Wei-Guang","Construction of six new luminescent Ln(iii)‒Zn(ii) heterometallic coordination polymers based on heterometallic secondary building units","CrystEngComm","2016","18","44","8672","","10.1039/C6CE01184E","","","0.71073","MoKα","","0.0236","0.0207","","","0.0499","0.0515","","","","","","1.006","","","","has coordinates,has disorder","190087","2020-10-21","18:00:00",""
"7226767","12.4323","0.0017","12.9418","0.0018","15.241","0.002","90","","95.588","0.002","90","","2440.6","0.6","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C22 H12 Eu N3 O15 Zn -","- C22 H12 Eu N3 O15 Zn -","- C88 H48 Eu4 N12 O60 Zn4 -","4","1","","Zheng, Sheng-Run; Tan, Jing-Bo; Cai, Song-Liang; Fan, Jun; Zhang, Wei-Guang","Construction of six new luminescent Ln(iii)‒Zn(ii) heterometallic coordination polymers based on heterometallic secondary building units","CrystEngComm","2016","18","44","8672","","10.1039/C6CE01184E","","","0.71073","MoKα","","0.0305","0.0272","","","0.0663","0.068","","","","","","1.071","","","","has coordinates","190087","2020-10-21","18:00:00",""
"7226768","12.4296","0.0012","12.9364","0.0012","15.1888","0.0014","90","","95.66","0.001","90","","2430.4","0.4","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C22 H12 N3 O15 Tb Zn -","- C22 H12 N3 O15 Tb Zn -","- C88 H48 N12 O60 Tb4 Zn4 -","4","1","","Zheng, Sheng-Run; Tan, Jing-Bo; Cai, Song-Liang; Fan, Jun; Zhang, Wei-Guang","Construction of six new luminescent Ln(iii)‒Zn(ii) heterometallic coordination polymers based on heterometallic secondary building units","CrystEngComm","2016","18","44","8672","","10.1039/C6CE01184E","","","0.71073","MoKα","","0.026","0.0228","","","0.0555","0.0571","","","","","","1.084","","","","has coordinates","190087","2020-10-21","18:00:00",""
"7226769","16.8984","0.0011","24.3162","0.0016","22.832","0.0015","90","","99.333","0.001","90","","9257.6","1.1","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C32 H15.5 Eu N4.5 O19 Zn2 -","- C32 H15.5 Eu N4.5 O19 Zn2 -","- C256 H124 Eu8 N36 O152 Zn16 -","8","1","","Zheng, Sheng-Run; Tan, Jing-Bo; Cai, Song-Liang; Fan, Jun; Zhang, Wei-Guang","Construction of six new luminescent Ln(iii)‒Zn(ii) heterometallic coordination polymers based on heterometallic secondary building units","CrystEngComm","2016","18","44","8672","","10.1039/C6CE01184E","","","0.71073","MoKα","","0.0536","0.0413","","","0.1279","0.1376","","","","","","1.027","","","","has coordinates,has disorder","190087","2020-10-21","18:00:00",""
"7226770","10.4803","0.0011","17.8855","0.0019","17.8364","0.0018","90","","105.744","0.001","90","","3217.9","0.6","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C22 H12 Eu N3 O15 Zn -","- C22 H12 Eu N3 O15 Zn -","- C88 H48 Eu4 N12 O60 Zn4 -","4","1","","Zheng, Sheng-Run; Tan, Jing-Bo; Cai, Song-Liang; Fan, Jun; Zhang, Wei-Guang","Construction of six new luminescent Ln(iii)‒Zn(ii) heterometallic coordination polymers based on heterometallic secondary building units","CrystEngComm","2016","18","44","8672","","10.1039/C6CE01184E","","","0.71073","MoKα","","0.0509","0.0366","","","0.1112","0.1195","","","","","","1.061","","","","has coordinates,has disorder","190087","2020-10-21","18:00:00",""
"7226771","11.589","0.003","17.792","0.005","16.441","0.005","90","","109.73","0.004","90","","3191","1.6","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C22 H12 N3 O15 Tb Zn -","- C22 H10 N3 O16 Tb Zn -","- C88 H40 N12 O64 Tb4 Zn4 -","4","1","","Zheng, Sheng-Run; Tan, Jing-Bo; Cai, Song-Liang; Fan, Jun; Zhang, Wei-Guang","Construction of six new luminescent Ln(iii)‒Zn(ii) heterometallic coordination polymers based on heterometallic secondary building units","CrystEngComm","2016","18","44","8672","","10.1039/C6CE01184E","","","0.71073","MoKα","","0.1304","0.081","","","0.2199","0.27","","","","","","1.065","","","","has coordinates,has disorder","190087","2020-10-21","18:00:00",""
"7226772","7.034","","14.9894","0.0001","13.8939","0.0001","90","","96.387","0.001","90","","1455.82","0.015","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Piroxicam","","- C15 H13 N3 O4 S -","- C15 H13 N3 O4 S -","- C60 H52 N12 O16 S4 -","4","1","","Lai, Felcia; Du, Jonathan J.; Williams, Peter A.; Váradi, Linda; Baker, Daniel; Groundwater, Paul W.; Overgaard, Jacob; Platts, James A.; Hibbs, David E.","A comparison of the experimental and theoretical charge density distributions in two polymorphic modifications of piroxicam.","Physical chemistry chemical physics : PCCP","2016","18","41","28802","28818","10.1039/c6cp02690g","","","0.71073","MoKα","","0.0427","0.0348","","","0.0974","0.1021","","","","","","1.045","","","","has coordinates","188312","2020-10-21","18:00:00",""
"7226773","10.3465","0.0001","12.7126","0.0001","12.8098","0.0001","102.78","0.001","99.985","0.001","108.728","0.001","1500.67","0.03","150","2","150","2","","","","","","","","5","P -1","-P 1","2","Piroxicam monohydrate","Piroxicam monohydrate","","- C15 H15 N3 O5 S -","- C15 H15 N3 O5 S -","- C60 H60 N12 O20 S4 -","4","2","","Lai, Felcia; Du, Jonathan J.; Williams, Peter A.; Váradi, Linda; Baker, Daniel; Groundwater, Paul W.; Overgaard, Jacob; Platts, James A.; Hibbs, David E.","A comparison of the experimental and theoretical charge density distributions in two polymorphic modifications of piroxicam.","Physical chemistry chemical physics : PCCP","2016","18","41","28802","28818","10.1039/c6cp02690g","","","0.71073","MoKα","","0.0515","0.0367","","","0.1011","0.1121","","","","","","1.066","","","","has coordinates","188312","2020-10-21","18:00:00",""
"7226774","11.1124","0.0005","11.4404","0.0005","13.6416","0.0007","94.291","0.001","112.91","0.001","97.524","0.001","1568.61","0.13","185","2","185","2","","","","","","","","5","P -1","-P 1","2","","1","","- C68 H66 N4 O18 Sm2 -","- C68 H66 N4 O18 Sm2 -","- C68 H66 N4 O18 Sm2 -","1","0.5","","Lin, Shuang-Yan; Wang, Chunlai; Xu, Zhikun","Syntheses, Structures and Magnetic Properties of Symmetrical Schiff-base Supported Dinuclear Ln(III) Compounds","RSC Adv.","2016","","","","","10.1039/C6RA16669E","","","0.71073","MoKα","","0.0428","0.0338","","","0.0721","0.0765","","","","","","1.024","","","","has coordinates","187257","2020-10-21","18:00:00",""
"7226775","11.1487","0.0007","11.3872","0.0007","13.6878","0.0008","94.287","0.001","113.068","0.001","97.695","0.001","1568.86","0.17","185","2","185","2","","","","","","","","5","P -1","-P 1","2","","2","","- C68 H66 Dy2 N4 O18 -","- C68 H66 Dy2 N4 O18 -","- C68 H66 Dy2 N4 O18 -","1","0.5","","Lin, Shuang-Yan; Wang, Chunlai; Xu, Zhikun","Syntheses, Structures and Magnetic Properties of Symmetrical Schiff-base Supported Dinuclear Ln(III) Compounds","RSC Adv.","2016","","","","","10.1039/C6RA16669E","","","0.71073","MoKα","","0.0272","0.0248","","","0.0642","0.0659","","","","","","1.045","","","","has coordinates","187257","2020-10-21","18:00:00",""
"7226776","13.988","0.002","15.402","0.002","15.741","0.002","90","","98.823","0.002","90","","3351.2","0.8","185","2","185","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","3","","- C66 H76 Dy2 N6 O18 -","- C66 H76 Dy2 N6 O18 -","- C132 H152 Dy4 N12 O36 -","2","0.5","","Lin, Shuang-Yan; Wang, Chunlai; Xu, Zhikun","Syntheses, Structures and Magnetic Properties of Symmetrical Schiff-base Supported Dinuclear Ln(III) Compounds","RSC Adv.","2016","","","","","10.1039/C6RA16669E","","","0.71073","MoKα","","0.0573","0.0374","","","0.083","0.0933","","","","","","1.029","","","","has coordinates","187257","2020-10-21","18:00:00",""
"7226777","16.6099","0.0014","14.2716","0.0011","26.463","0.003","90","","93.849","0.002","90","","6258.9","1","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C40 H48 Mo8 N24 O32 -","- C40 H48 Mo8 N24 O32 -","- C160 H192 Mo32 N96 O128 -","4","0.5","","Luo, Hai Qiang; Zhang, Pan; Yang, Yong Xi; Gong, Yun; Lin, Jianhua","Two Polymolybdate-Based Complexes and Their Graphene Composites with Visible-Light Photo-Responses","RSC Adv.","2016","","","","","10.1039/C6RA19805H","","","0.71073","MoKα","","0.0461","0.0307","","","0.0645","0.0734","","","","","","1.067","","","","has coordinates","187258","2020-10-21","18:00:00",""
"7226778","7.99","0.0012","12.086","0.003","16.78","0.003","107.73","0.02","91.705","0.014","101.866","0.017","1503","0.6","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H18 Mo4 N14 O13 -","- C18 H18 Mo4 N14 O13 -","- C36 H36 Mo8 N28 O26 -","2","1","","Luo, Hai Qiang; Zhang, Pan; Yang, Yong Xi; Gong, Yun; Lin, Jianhua","Two Polymolybdate-Based Complexes and Their Graphene Composites with Visible-Light Photo-Responses","RSC Adv.","2016","","","","","10.1039/C6RA19805H","","","1.54178","CuKα","","0.0864","0.0749","","","0.2345","0.2607","","","","","","1.116","","","","has coordinates","187258","2020-10-21","18:00:00",""
"7226779","14.649","0.0007","14.7296","0.0007","23.2685","0.0012","103.447","0.001","96.362","0.002","91.092","0.002","4847.8","0.4","100","2","100","2","","","","","","","","7","P -1","-P 1","2","[Os(H)(CO)(bpy)(tpp)2]+.PF6-.C7 H8","","","- C54 H47 F6 N2 O Os P6 -","- C54 H46.5 F6 N2 O Os P3 -","- C216 H186 F24 N8 O4 Os4 P12 -","4","2","","Kamecka, Anna; Suwińska, Kinga; Kapturkiewicz, Andrzej","Heteroleptic [Os(H)(CO)(N(∧)N)(tpp)2](+) and [Os(Cl)(CO)(N(∧)N)(tpp)2](+) complexes - comparative studies of their luminescence properties.","Physical chemistry chemical physics : PCCP","2016","18","41","28982","28996","10.1039/c6cp05856f","","","0.71073","MoKα","","0.0558","0.0441","","","0.0859","0.0886","","","","","","1.286","","","","has coordinates,has disorder","188313","2020-10-21","18:00:00",""
"7226780","28.557","0.002","28.557","0.002","11.9682","0.0009","90","","90","","90","","9760.1","1.2","100","2","100","2","","","","","","","","8","P 42/n","-P 4bc","86","[Os(Cl)(CO)(bpy)(tpp)2]+.PF6-.0.5toluene","","","- C50.5 H42 Cl F6 N2 O Os P3 -","- C50.5 H42 Cl F6 N2 O Os P2.8125 -","- C404 H336 Cl8 F48 N16 O8 Os8 P22.5 -","8","","","Kamecka, Anna; Suwińska, Kinga; Kapturkiewicz, Andrzej","Heteroleptic [Os(H)(CO)(N(∧)N)(tpp)2](+) and [Os(Cl)(CO)(N(∧)N)(tpp)2](+) complexes - comparative studies of their luminescence properties.","Physical chemistry chemical physics : PCCP","2016","18","41","28982","28996","10.1039/c6cp05856f","","","0.71073","MoKα","","0.0686","0.0486","","","0.0842","0.0895","","","","","","1.108","","","","has coordinates,has disorder","188313","2020-10-21","18:00:00",""
"7226781","16.1119","0.0011","7.0151","0.0006","21.1805","0.0014","90","","96.396","0.005","90","","2379.1","0.3","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C26 H34 Co N4 O4 -","- C26 H34 Co N4 O4 -","- C104 H136 Co4 N16 O16 -","4","1","","Peng, Yan; Bodenstein, Tilmann; Fink, Karin; Mereacre, Valeriu; Anson, Christopher E.; Powell, Annie K.","Magnetic anisotropy of a Co(II) single ion magnet with distorted trigonal prismatic coordination: theory and experiment.","Physical chemistry chemical physics : PCCP","2016","18","43","30135","30143","10.1039/c6cp03157a","","","0.71073","MoKα","","0.0415","0.0326","","","0.0842","0.0867","","","","","","0.989","","","","has coordinates","188315","2020-10-21","18:00:00",""
"7226782","12.4724","0.0004","13.4637","0.0005","19.9965","0.0008","90","","92.523","0.004","90","","3354.7","0.2","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C10 H17 Ag7 I9 N3 O -","- C10 H17 Ag7 I9 N3 O -","- C40 H68 Ag28 I36 N12 O4 -","4","1","","shen, junju; wang, feng; li, xiangxia; yu, tanlai; Hao, Pengfei; Fu, Yunlong","Two Photochromic Methylated Nicotinohydrazide Iodoargentate Hybrids","RSC Adv.","2016","","","","","10.1039/C6RA20084B","","","0.71073","MoKα","","0.1033","0.0655","","","0.1624","0.1958","","","","","","1.041","","","","has coordinates","187299","2020-10-21","18:00:00",""
"7226783","11.2079","0.0008","25.1506","0.0019","8.4668","0.0005","90","","105.661","0.007","90","","2298.1","0.3","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C10 H17 Ag3 I5 N3 O -","- C10 H17 Ag3 I5 N3 O -","- C40 H68 Ag12 I20 N12 O4 -","4","1","","shen, junju; wang, feng; li, xiangxia; yu, tanlai; Hao, Pengfei; Fu, Yunlong","Two Photochromic Methylated Nicotinohydrazide Iodoargentate Hybrids","RSC Adv.","2016","","","","","10.1039/C6RA20084B","","","0.71073","MoKα","","0.0958","0.0727","","","0.1605","0.1752","","","","","","1.072","","","","has coordinates,has disorder","187299","2020-10-21","18:00:00",""
"7226784","12.2643","0.0007","10.4917","0.0006","12.4618","0.0007","90","","113.61","0.002","90","","1469.28","0.15","293","2","293","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C27 H32 Cu2 N4 O10 -","- C27 H32 Cu2 N4 O10 -","- C54 H64 Cu4 N8 O20 -","2","0.5","","Das, Debasis; Das, Sudhanshu; Adhikary, Jaydeep; Chakraborty, Prateeti; Chakraborty, Tonmoy","Macrocyclization of N, N′-propylenebis(3-formyl-5-tert butylsalicylaldimine): a ratiometric fluorescence chemodosimeter for ZnII","RSC Adv.","2016","","","","","10.1039/C6RA05478A","","","0.71073","MoKα","","0.0486","0.0396","","","0.1047","0.1102","","","","","","1.069","","","","has coordinates,has disorder","187300","2020-10-21","18:00:00",""
"7226785","7.1937","0.0015","19.343","0.004","11.985","0.003","90","","103.105","0.009","90","","1624.3","0.6","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C30 H38 N6 O8 Zn2 -","- C30 H38 N6 O8 Zn2 -","- C60 H76 N12 O16 Zn4 -","2","0.5","","Das, Debasis; Das, Sudhanshu; Adhikary, Jaydeep; Chakraborty, Prateeti; Chakraborty, Tonmoy","Macrocyclization of N, N′-propylenebis(3-formyl-5-tert butylsalicylaldimine): a ratiometric fluorescence chemodosimeter for ZnII","RSC Adv.","2016","","","","","10.1039/C6RA05478A","","","0.71073","MoKα","","0.0388","0.0309","","","0.0816","0.0855","","","","","","1.093","","","","has coordinates","187300","2020-10-21","18:00:00",""
"7226786","15.2764","0.001","18.6423","0.0012","17.4632","0.0012","90","","95.039","0.004","90","","4954.1","0.6","296","2","296","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C53 H42 As2 Br Cl3 N2 O2 Ru -","- C53 H42 As2 Br Cl3 N2 O2 Ru -","- C212 H168 As8 Br4 Cl12 N8 O8 Ru4 -","4","1","","Manikandan, Thimma Sambamoorthy; Ramesh, Rengan; Semeril, David","Synthesis and characterisation of cycloruthenated benzhydrazone complexes: catalytic application to selective oxidative cleavage of olefins to aldehydes","RSC Adv.","2016","6","99","97107","","10.1039/C6RA19044H","","","0.71073","MoKα","","0.0752","0.0487","","","0.1282","0.1489","","","","","","1.043","","","","has coordinates,has disorder","187301","2020-10-21","18:00:00",""
"7226787","15.5853","0.001","18.629","0.0012","17.3913","0.0011","90","","95.754","0.004","90","","5023.9","0.6","296","2","296","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C54 H45 As2 Cl3 N2 O3 Ru -","- C54 H45 As2 Cl3 N2 O3 Ru -","- C216 H180 As8 Cl12 N8 O12 Ru4 -","4","1","","Manikandan, Thimma Sambamoorthy; Ramesh, Rengan; Semeril, David","Synthesis and characterisation of cycloruthenated benzhydrazone complexes: catalytic application to selective oxidative cleavage of olefins to aldehydes","RSC Adv.","2016","6","99","97107","","10.1039/C6RA19044H","","","0.71073","MoKα","","0.0882","0.0567","","","0.1569","0.1937","","","","","","1.103","","","","has coordinates,has disorder","187301","2020-10-21","18:00:00",""
"7226788","7.8028","0.0006","17.6121","0.0012","18.6177","0.0012","90","","90","","90","","2558.5","0.3","273","2","273.15","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C28 H37 N3 O4 S -","- C28 H37 N3 O4 S -","- C112 H148 N12 O16 S4 -","4","1","","Kong, Minmin; Fu, Xue; Li, Jiaoyang; Li, Jianhui; Chen, Minhua; Deng, Zongwu; Zhang, Hailu","Sweet pharmaceutical salts of stanozolol with enhanced solubility and physical stability","CrystEngComm","2016","18","45","8739","","10.1039/C6CE01876A","","","0.71073","MoKα","","0.0399","0.0352","","","0.0837","0.086","","","","","","1.035","","","","has coordinates","190081","2020-10-21","18:00:00",""
"7226789","7.3761","0.0005","17.7987","0.0015","9.5359","0.0009","90","","98.633","0.006","90","","1237.74","0.18","223","0.1","223","0.1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C25 H37 N3 O5 S -","- C25 H37 N3 O5 S -","- C50 H74 N6 O10 S2 -","2","1","","Kong, Minmin; Fu, Xue; Li, Jiaoyang; Li, Jianhui; Chen, Minhua; Deng, Zongwu; Zhang, Hailu","Sweet pharmaceutical salts of stanozolol with enhanced solubility and physical stability","CrystEngComm","2016","18","45","8739","","10.1039/C6CE01876A","","","0.71073","MoKα","","0.0644","0.0462","","","0.114","0.1345","","","","","","0.825","","","","has coordinates","190081","2020-10-21","18:00:00",""
"7226790","15.6898","0.0004","10.314","0.0002","13.7275","0.0003","90","","90","","90","","2221.45","0.09","296","2","296","2","","","","","","","","3","P n a 21","P 2c -2n","33","methoxyphenyl phenyl benzo cyclohepta benzofuran","6-(2-methoxyphenyl)-5a-phenyl-5aH-benzo[4,5]cyclohepta[1,2-b]benzofuran","","- C30 H22 O2 -","- C30 H22 O2 -","- C120 H88 O8 -","4","1","","Gai, Rafaela; do Carmo Pinheiro, Roberto; Neto, José S. S.; Iglesias, Bernardo A.; Acunha, Thiago V.; Back, Davi F.; Zeni, Gilson","The intramolecular 5-exo, 7-endo-dig transition metal-free cyclization sequence of (2-alkynylphenyl) benzyl ethers: synthesis of seven-membered fused benzo[b]furans","Green Chem.","2016","18","24","6648","","10.1039/C6GC02423H","","","1.54178","CuKα","","0.0294","0.0291","","","0.0753","0.0757","","","","","","1.083","","","","has coordinates","190221","2020-10-21","18:00:00",""
"7226791","11.309","0.002","12.473","0.003","16.361","0.004","111.827","0.018","92.561","0.018","104.099","0.012","2054.3","0.9","296","2","296","2","","","","","","","","4","P -1","-P 1","2","fluorophenyl phenyl benzo cyclohepta benzofuran","5a-(4- fluorophenyl)-6- phenyl-5aH-benzo[4,5]cyclohepta[1,2-b]benzofuran","","- C29 H19 F O -","- C29 H19 F O -","- C116 H76 F4 O4 -","4","2","","Gai, Rafaela; do Carmo Pinheiro, Roberto; Neto, José S. S.; Iglesias, Bernardo A.; Acunha, Thiago V.; Back, Davi F.; Zeni, Gilson","The intramolecular 5-exo, 7-endo-dig transition metal-free cyclization sequence of (2-alkynylphenyl) benzyl ethers: synthesis of seven-membered fused benzo[b]furans","Green Chem.","2016","18","24","6648","","10.1039/C6GC02423H","","","1.54178","CuKα","","0.1016","0.0508","","","0.1069","0.1292","","","","","","1.013","","","","has coordinates","193656","2020-10-21","18:00:00",""
"7226792","9.5556","0.0017","18.935","0.003","11.627","0.003","90","","96.866","0.008","90","","2088.6","0.7","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","chlorophenyl phenyl benzo cyclohepta benzofuran","5a-(4-chlorophenyl)-6-phenyl-5aH-benzo[4,5]cyclohepta[1,2-b]benzofuran","","- C29 H19 Cl O -","- C29 H19 Cl O -","- C116 H76 Cl4 O4 -","4","1","","Gai, Rafaela; do Carmo Pinheiro, Roberto; Neto, José S. S.; Iglesias, Bernardo A.; Acunha, Thiago V.; Back, Davi F.; Zeni, Gilson","The intramolecular 5-exo, 7-endo-dig transition metal-free cyclization sequence of (2-alkynylphenyl) benzyl ethers: synthesis of seven-membered fused benzo[b]furans","Green Chem.","2016","18","24","6648","","10.1039/C6GC02423H","","","0.71073","MoKα","","0.1013","0.0626","","","0.1381","0.1546","","","","","","1.027","","","","has coordinates","190221","2020-10-21","18:00:00",""
"7226793","12.8422","0.0012","13.4375","0.0012","17.1011","0.0017","84.713","0.003","87.183","0.003","64.505","0.002","2652.2","0.4","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C68 H57 B Fe N2 P2 -","- C68 H57 B Fe N2 P2 -","- C136 H114 B2 Fe2 N4 P4 -","2","1","","Albertin, Gabriele; Antoniutti, Stefano; Bortoluzzi, Marco; Botter, Alessandra; Castro, Jesús; Sibilla, Francesca","Preparation of diazoalkane complexes of iron(ii)","RSC Adv.","2016","6","100","97650","","10.1039/C6RA22051G","","","0.71073","MoKα","","0.1264","0.0771","","","0.1202","0.1347","","","","","","1.102","","","","has coordinates","187314","2020-10-21","18:00:00",""
"7226794","6.766","0.0006","7.2849","0.0007","10.7541","0.0009","109.069","0.002","98.932","0.001","103.404","0.002","471.7","0.07","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C8 H14 N16 Na2 O6 -","- C8 H14 N16 Na2 O6 -","- C8 H14 N16 Na2 O6 -","1","0.5","","Qin, Jian; Li, Tong; Zhang, Jianguo; Zhang, Zhibin","Nitrogen-rich energetic compounds of 4-carboxamide-5-(1H-tetrazol-5-yl)-1H-1,2,3-triazole and its 1D sodium complex: synthesis and properties","RSC Adv.","2016","","","","","10.1039/C6RA22151C","","","0.71073","MoKα","","0.0901","0.0676","","","0.168","0.1811","","","","","","1.042","","","","has coordinates","187315","2020-10-21","18:00:00",""
"7226795","3.6672","0.0003","16.3613","0.0014","11.3345","0.0008","90","","97.76","0.001","90","","673.84","0.09","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C4 H5 N5 O2 -","- C4 H5 N5 O2 -","- C16 H20 N20 O8 -","4","1","","Qin, Jian; Li, Tong; Zhang, Jianguo; Zhang, Zhibin","Nitrogen-rich energetic compounds of 4-carboxamide-5-(1H-tetrazol-5-yl)-1H-1,2,3-triazole and its 1D sodium complex: synthesis and properties","RSC Adv.","2016","","","","","10.1039/C6RA22151C","","","0.71073","MoKα","","0.0894","0.0556","","","0.1325","0.1491","","","","","","1.018","","","","has coordinates","187315","2020-10-21","18:00:00",""
"7226796","4.6484","0.0002","13.9788","0.0007","19.2908","0.0009","105.132","0.002","90.17","0.003","98.42","0.003","1195.88","0.1","200","2","200","2","","","","","","","","4","P -1","-P 1","2","","","","- C53 H57 N S8 -","- C53 H57 N S8 -","- C53 H57 N S8 -","1","0.5","","Magnan, François; Gabidullin, Bulat; Brusso, Jaclyn L.","Applying thieno[3,2-b]thiophene as a building block in the design of rigid extended thienoacenes","RSC Adv.","2016","6","99","97420","","10.1039/C6RA18897D","","","0.71073","MoKα","","0.0725","0.0519","","","0.1274","0.133","","","","","","1.153","","","","has coordinates,has disorder","187316","2020-10-21","18:00:00",""
"7226797","6.0216","0.0001","18.9648","0.0004","19.659","0.0005","90","","90","","90","","2245.03","0.08","298","","298","","","","","","","","","3","P c 21 n","P -2n -2ac","33","","","","- C28 H27 N3 -","- C28 H27 N3 -","- C112 H108 N12 -","4","1","","Girgis, AS; Ismail, Nasser Saad; George, Riham F.; Serya, Rabah; Baselious, Fady N.; El-Manawaty, May; Shalaby, ElSayed M.","Rational design, synthesis and 2D-QSAR studies of antiproliferative tropane-based compounds","RSC Adv.","2016","","","","","10.1039/C6RA21486J","","","0.71073","MoKα","","0.1819","0.0376","","0.1017","0.0775","0.0775","","","","","","1.067","","","","has coordinates","187332","2020-10-21","18:00:00",""
"7226798","7.5857","0.0007","11.5743","0.0011","6.8175","0.0011","90","","106.587","0.003","90","","573.66","0.12","296","2","296","2","","","","","","","","4","C 1 2/m 1","-C 2y","12","","","","- Ge4 Na9 S12 Sb -","- Ge4 Na9 S12 Sb -","- Ge4 Na9 S12 Sb -","1","0.125","","Wu, Xiaowen; Hu, Yi; Pan, Hui; Su, Zhi","Na9Sb(Ge2Q6)2 (Q = S, Se): two new antimony (III) quaternary chalcogenides with ethane-like [Ge2Q6]6− ligands","RSC Adv.","2016","","","","","10.1039/C6RA22000B","","","0.71073","MoKα","","0.0212","0.0184","","","0.0421","0.0429","","","","","","1.081","","","","has coordinates","187333","2020-10-21","18:00:00",""
"7226799","8.95","0.01","24.33","0.03","7.066","0.008","90","","122.103","0.011","90","","1303","3","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- Ge4 Na9 Sb Se12 -","- Ge4 Na9 Sb Se12 -","- Ge8 Na18 Sb2 Se24 -","2","0.25","","Wu, Xiaowen; Hu, Yi; Pan, Hui; Su, Zhi","Na9Sb(Ge2Q6)2 (Q = S, Se): two new antimony (III) quaternary chalcogenides with ethane-like [Ge2Q6]6− ligands","RSC Adv.","2016","","","","","10.1039/C6RA22000B","","","0.71073","MoKα","","0.1208","0.0534","","","0.1193","0.1462","","","","","","1.01","","","","has coordinates","187333","2020-10-21","18:00:00",""
"7226800","40.484","0.004","8.4074","0.0008","21.803","0.002","90","","115.093","0.003","90","","6720.6","1.1","150","","150","","","","","","","","synthesis as described","7","C 1 2/c 1","-C 2yc","15","","","","- C28 H32 Cl2 Ir N2 O2 P -","- C28 H32 Cl2 Ir N2 O2 P -","- C224 H256 Cl16 Ir8 N16 O16 P8 -","8","1","","Sahoo, Apurba Ranjan; Jiang, Fan; Bruneau, Christian; Sharma, Gangavaram VM; Suresh, Surisetti; Achard, Mathieu","Acetals from Primary Alcohols with the Use of Tridentate Proton Responsive Phosphinepyridonate Iridium Catalysts","RSC Adv.","2016","","","","","10.1039/C6RA23946C","","x-ray","0.71073","MoKα","","0.1265","0.0999","","","0.2702","0.2959","","","","","","1.181","","","","has coordinates","187335","2020-10-21","18:00:00",""
"7226801","12.976","0.0003","9.0107","0.0002","12.2487","0.0003","90","","102.498","0.002","90","","1398.22","0.06","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C13 H22 N2 O2 -","- C13 H22 N2 O2 -","- C52 H88 N8 O8 -","4","1","","Kim, Hyejin; Choi, Sung Ho; Ahn, Duseong; Kim, Yoseph; Ryu, Ji Yeon; Lee, Junseong; Kim, Youngjo","Facile synthesis of a dimeric titanium(iv) complex with terminal TiO moieties and its application as a catalyst for the cycloaddition reaction of CO2to epoxides","RSC Adv.","2016","6","100","97800","","10.1039/C6RA23255H","","","0.71073","MoKα","","0.0522","0.0373","","","0.0872","0.0947","","","","","","1.009","","","","has coordinates","187336","2020-10-21","18:00:00",""
"7226802","10.1045","0.0002","14.8386","0.0003","14.7511","0.0003","90","","103.949","0.001","90","","2146.51","0.08","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C19 H34 N2 O4 Ti -","- C19 H33.43 N2 O4 Ti -","- C76 H133.72 N8 O16 Ti4 -","4","1","","Kim, Hyejin; Choi, Sung Ho; Ahn, Duseong; Kim, Yoseph; Ryu, Ji Yeon; Lee, Junseong; Kim, Youngjo","Facile synthesis of a dimeric titanium(iv) complex with terminal TiO moieties and its application as a catalyst for the cycloaddition reaction of CO2to epoxides","RSC Adv.","2016","6","100","97800","","10.1039/C6RA23255H","","","0.71073","MoKα","","0.0441","0.0322","","","0.0816","0.0876","","","","","","1.021","","","","has coordinates,has disorder","187336","2020-10-21","18:00:00",""
"7226803","9.597","0.0003","19.6755","0.0006","9.9008","0.0003","90","","105.588","0.002","90","","1800.76","0.1","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C28 H42 Cl6 N4 O6 Ti2 -","- C28 H42 Cl6 N4 O6 Ti2 -","- C56 H84 Cl12 N8 O12 Ti4 -","2","0.5","","Kim, Hyejin; Choi, Sung Ho; Ahn, Duseong; Kim, Yoseph; Ryu, Ji Yeon; Lee, Junseong; Kim, Youngjo","Facile synthesis of a dimeric titanium(iv) complex with terminal TiO moieties and its application as a catalyst for the cycloaddition reaction of CO2to epoxides","RSC Adv.","2016","6","100","97800","","10.1039/C6RA23255H","","","0.71073","MoKα","","0.051","0.0396","","","0.0955","0.1022","","","","","","1.03","","","","has coordinates","187336","2020-10-21","18:00:00",""
"7226804","10.4181","0.0016","13.682","0.002","18.006","0.003","90","","90","","90","","2566.6","0.7","100","","100","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C30 H34 N2 O4 -","- C30 H34 N2 O4 -","- C120 H136 N8 O16 -","4","1","","Gangar, Mukesh; Ittuveetil, Avinash; Goyal, Sandeep; Pal, Anang; M., Harikrishnan; Nair, Vipin A.","Anti selective glycolate aldol reactions of (S)-4-isopropyl-1-[(R)-1-phenylethyl]imidazolidin-2-one: application towards the asymmetric synthesis of 8-4'-oxyneolignans","RSC Adv.","2016","","","","","10.1039/C6RA22026F","","","0.71075","MoKα","","0.063","0.0554","","","0.1391","0.1477","","","","","","1.012","","","","has coordinates","187358","2020-10-21","18:00:00",""
"7226805","6.747","0.002","6.1736","0.0016","15.97","0.005","90","","94.412","0.013","90","","663.2","0.3","300","2","300","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C10 H14 Ag2 O6 P2 -","- C10 H14 Ag2 O6 P2 -","- C20 H28 Ag4 O12 P4 -","2","0.5","","Hou, Xiaomin; Tang, Sifu","Four new silver phosphonates constructed from semi-rigid phosphonate ligands: syntheses, structures and properties","RSC Adv.","2016","","","","","10.1039/C6RA21382K","","","0.71073","MoKα","","0.0477","0.0329","","","0.0737","0.0794","","","","","","1.06","","","","has coordinates","187362","2020-10-21","18:00:00",""
"7226806","8.3751","0.0009","9.2734","0.0009","10.7848","0.0013","86.327","0.004","89.491","0.004","63.771","0.003","749.64","0.14","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C9 H12 Ag3 O9 P3 -","- C9 H12 Ag3 O9 P3 -","- C18 H24 Ag6 O18 P6 -","2","1","","Hou, Xiaomin; Tang, Sifu","Four new silver phosphonates constructed from semi-rigid phosphonate ligands: syntheses, structures and properties","RSC Adv.","2016","","","","","10.1039/C6RA21382K","","","0.71073","MoKα","","0.0799","0.0386","","","0.058","0.067","","","","","","1.006","","","","has coordinates","187362","2020-10-21","18:00:00",""
"7226807","10.4999","0.0007","12.186","0.0008","15.1329","0.0009","97.139","0.002","103.613","0.002","99.718","0.002","1827.5","0.2","289","2","289","2","","","","","","","","6","P -1","-P 1","2","","","","- C35 H40 Ag2 N4 O10 P3 -","- C35 H40 Ag2 N4 O10 P3 -","- C70 H80 Ag4 N8 O20 P6 -","2","1","","Hou, Xiaomin; Tang, Sifu","Four new silver phosphonates constructed from semi-rigid phosphonate ligands: syntheses, structures and properties","RSC Adv.","2016","","","","","10.1039/C6RA21382K","","","0.71073","MoKα","","0.0747","0.0458","","","0.0999","0.1157","","","","","","1.03","","","","has coordinates","187362","2020-10-21","18:00:00",""
"7226808","11.757","0.0014","4.6361","0.0005","16.3047","0.0018","90","","102.766","0.004","90","","866.75","0.17","287","2","287","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C14 H18 Ag2 N2 O6 P2 -","- C14 H18 Ag2 N2 O6 P2 -","- C28 H36 Ag4 N4 O12 P4 -","2","0.5","","Hou, Xiaomin; Tang, Sifu","Four new silver phosphonates constructed from semi-rigid phosphonate ligands: syntheses, structures and properties","RSC Adv.","2016","","","","","10.1039/C6RA21382K","","","0.71073","MoKα","","0.0387","0.0261","","","0.0565","0.0617","","","","","","1.064","","","","has coordinates","187362","2020-10-21","18:00:00",""
"7226809","23.2472","0.0017","11.0567","0.0008","17.3281","0.0013","90","","121.004","0.001","90","","3817.6","0.5","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C32 H44 N Ni S8 -","- C32 H44 N Ni S8 -","- C128 H176 N4 Ni4 S32 -","4","0.5","","Yu, Qin; Ge, Jing-Yuan; Lv, Zhong-Peng; Wang, Hai-Ying; Zuo, Jing-Lin","Structure-dependent electronic transitions in a new type of -electron delocalized multi-sulfur bis(dithiolene) nickel complexes","RSC Adv.","2016","","","","","10.1039/C6RA20109A","","","0.71073","MoKα","","0.065","0.0444","","","0.1254","0.1414","","","","","","1.03","","","","has coordinates","187386","2020-10-21","18:00:00",""
"7226810","9.685","0.002","15.561","0.003","15.636","0.003","67.636","0.004","87.435","0.004","74.465","0.004","2095.3","0.7","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C36 H52 N Ni S8 -","- C36 H52 N Ni S8 -","- C72 H104 N2 Ni2 S16 -","2","1","","Yu, Qin; Ge, Jing-Yuan; Lv, Zhong-Peng; Wang, Hai-Ying; Zuo, Jing-Lin","Structure-dependent electronic transitions in a new type of -electron delocalized multi-sulfur bis(dithiolene) nickel complexes","RSC Adv.","2016","","","","","10.1039/C6RA20109A","","","0.71073","MoKα","","0.0768","0.0524","","","0.1066","0.1194","","","","","","0.977","","","","has coordinates","187386","2020-10-21","18:00:00",""
"7226811","9.3127","0.0011","11.4047","0.0013","23.822","0.003","78.383","0.002","89.598","0.002","69.845","0.002","2321.2","0.5","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C37 H53 Cl3 N Ni O4 S8 -","- C37 H53 Cl3 N Ni O4 S8 -","- C74 H106 Cl6 N2 Ni2 O8 S16 -","2","1","","Yu, Qin; Ge, Jing-Yuan; Lv, Zhong-Peng; Wang, Hai-Ying; Zuo, Jing-Lin","Structure-dependent electronic transitions in a new type of -electron delocalized multi-sulfur bis(dithiolene) nickel complexes","RSC Adv.","2016","","","","","10.1039/C6RA20109A","","","0.71073","MoKα","","0.0591","0.0512","","","0.1447","0.1531","","","","","","1.049","","","","has coordinates","187386","2020-10-21","18:00:00",""
"7226812","22.52","0.002","18.0442","0.0018","19.7173","0.0019","90","","103.374","0.002","90","","7794.9","1.3","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C64 H72 F16 N2 Ni2 S16 -","- C64 H72 F16 N2 Ni2 S16 -","- C256 H288 F64 N8 Ni8 S64 -","4","1","","Yu, Qin; Ge, Jing-Yuan; Lv, Zhong-Peng; Wang, Hai-Ying; Zuo, Jing-Lin","Structure-dependent electronic transitions in a new type of -electron delocalized multi-sulfur bis(dithiolene) nickel complexes","RSC Adv.","2016","","","","","10.1039/C6RA20109A","","","0.71073","MoKα","","0.0578","0.0351","","","0.0828","0.0979","","","","","","1.025","","","","has coordinates,has disorder","187386","2020-10-21","18:00:00",""
"7226813","6.5029","0.0009","4.7911","0.0007","43.18","0.006","90","","90.145","0.004","90","","1345.3","0.3","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","CPAM","","- C15 H11 Br F N O3 -","- C15 H11 Br F N O3 -","- C60 H44 Br4 F4 N4 O12 -","4","1","","Misra, Kaushik; Nag, Ahindra; Sonwane, Avinash","N-(2-Bromo-4-fluorophenyl)-3-(3,4-dihydroxyphenyl)-acrylamide (CPAM) a small catecholic amide as antioxidant, anti diabetic and antibacterial compound","RSC Adv.","2016","","","","","10.1039/C6RA16222C","","","0.71073","MoKα","","0.0824","0.0523","","","0.1216","0.1468","","","","","","1.163","","","","has coordinates","187387","2020-10-21","18:00:00",""
"7226814","24.576","0.0019","12.416","0.001","18.094","0.001","90","","102.534","0.006","90","","5389.5","0.7","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C98 H132 Cd2 Fe2 N10 Na O38 -","- C84 H76 Cd2 Fe2 N4 Na O30 -","- C168 H152 Cd4 Fe4 N8 Na2 O60 -","2","0.5","","Ma, Li; Du, Peng; Yang, Jin; Liu, Ying-Ying; Liu, Xiao-Li; Ma, Jian-Fang","Two heterotrimetallic organic frameworks constructed using a functionalized Schiff base ligand: syntheses, structures and visible photocatalytic activities for the degradation of chlorophenols","RSC Adv.","2016","6","101","98611","","10.1039/C6RA18817F","","","0.71069","MoKα","","0.164","0.0983","","","0.2526","0.2849","","","","","","1.161","","","","has coordinates","187388","2020-10-21","18:00:00",""
"7226815","24.05","0.02","12.458","0.013","18.14","0.03","90","","104.466","0.008","90","","5263","11","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C48 H58 Fe N4 Na O17 Zn -","- C42 H38 Fe N2 Na O13.8 Zn -","- C168 H152 Fe4 N8 Na4 O55.2 Zn4 -","4","1","","Ma, Li; Du, Peng; Yang, Jin; Liu, Ying-Ying; Liu, Xiao-Li; Ma, Jian-Fang","Two heterotrimetallic organic frameworks constructed using a functionalized Schiff base ligand: syntheses, structures and visible photocatalytic activities for the degradation of chlorophenols","RSC Adv.","2016","6","101","98611","","10.1039/C6RA18817F","","","0.71073","MoKα","","0.19","0.1","","","0.2424","0.2714","","","","","","1.179","","","","has coordinates","187388","2020-10-21","18:00:00",""
"7226816","9.209","0.007","8.898","0.007","15.07","0.012","90","","90","","90","","1234.9","1.7","296","2","296","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C13 H14 F N O3 -","- C13 H14 F N O3 -","- C52 H56 F4 N4 O12 -","4","1","","Li, Jian; Jiang, Hui; Jie, Haohua","Scandium triflate-catalyzed selective ring opening and rearrangement reaction of spiro-epoxyoxindole and carbonyl compound","RSC Adv.","2016","","","","","10.1039/C6RA21264F","","","0.71073","MoKα","","0.0324","0.0285","","","0.0688","0.0715","","","","","","1.056","","","","has coordinates","187389","2020-10-21","18:00:00",""
"7226817","11.2493","0.0011","16.5313","0.0017","8.4611","0.0008","90","","90","","90","","1573.5","0.3","295","2","295","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C20 H38 Cu2 N4 O17 -","- C20 H38 Cu2 N4 O17 -","- C40 H76 Cu4 N8 O34 -","2","0.5","","Zhang, Zhi-Hui; Yang, Xu-Sheng; Zhang, Qing-Qing; Wang, Liang; He, Ming-Yang; Chen, Qun; huang, Xian-Feng","Structure-Induced Catalysis Enhancement of Cu-Amino Catalysts for Rapidly Selective Oxidation of Sulfides in the Presence of H2O2","RSC Adv.","2016","","","","","10.1039/C6RA22393A","","","0.71073","MoKα","","0.0229","0.0219","","","0.0645","0.0663","","","","","","1.072","","","","has coordinates","187390","2020-10-21","18:00:00",""
"7226818","7.2507","0.0016","16.263","0.004","7.3756","0.0016","90","","93.652","0.004","90","","868","0.3","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C13 H24 Cu N2 O7 -","- C13 H24 Cu N2 O7 -","- C26 H48 Cu2 N4 O14 -","2","1","","Zhang, Zhi-Hui; Yang, Xu-Sheng; Zhang, Qing-Qing; Wang, Liang; He, Ming-Yang; Chen, Qun; huang, Xian-Feng","Structure-Induced Catalysis Enhancement of Cu-Amino Catalysts for Rapidly Selective Oxidation of Sulfides in the Presence of H2O2","RSC Adv.","2016","","","","","10.1039/C6RA22393A","","","0.71073","MoKα","","0.0224","0.021","","","0.0616","0.0762","","","","","","0.844","","","","has coordinates","187390","2020-10-21","18:00:00",""
"7226819","15.2428","0.0004","16.714","0.0003","16.7757","0.0004","96.7233","0.0018","99.379","0.002","113.656","0.002","3782.91","0.17","119.9","0.14","120","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C60 H118 Co5 N6 O20 -","- C60 H98 Co5 N6 O20 -","- C120 H196 Co10 N12 O40 -","2","1","","Schmitz, Sebastian; Monakhov, Kirill; van Leusen, Jan; Izarova, Natalya V.; Heß, Volkmar; Kögerler, Paul","{Co(II/III)5} horseshoe and {Ni(II)4} lacunary cubane coordination clusters: the isobutyrate/N-butyldiethanolamine reaction system","RSC Adv.","2016","","","","","10.1039/C6RA19232G","","","0.71073","MoKα","","0.1033","0.0604","","","0.1355","0.1607","","","","","","1.05","","","","has coordinates","187391","2020-10-21","18:00:00",""
"7226820","13.0935","0.00014","19.21243","0.00019","22.816","0.0003","90","","90","","90","","5739.55","0.11","120","0.1","120","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C46 H92 N4 Ni4 O16 -","- C46 N4 Ni4 O16 -","- C184 N16 Ni16 O64 -","4","1","","Schmitz, Sebastian; Monakhov, Kirill; van Leusen, Jan; Izarova, Natalya V.; Heß, Volkmar; Kögerler, Paul","{Co(II/III)5} horseshoe and {Ni(II)4} lacunary cubane coordination clusters: the isobutyrate/N-butyldiethanolamine reaction system","RSC Adv.","2016","","","","","10.1039/C6RA19232G","","","0.71073","MoKα","","0.0712","0.0513","","","0.1264","0.1392","","","","","","1.073","","","","has coordinates,has disorder","187391","2020-10-21","18:00:00",""
"7226821","7.1776","0.0019","9.8366","0.0015","13.673","0.006","94.51","0.02","105.05","0.03","104.13","0.018","893.6","0.5","293.16","0.13","293.16","0.13","","","","","","","","4","P -1","-P 1","2","","","","- C17 H22 N4 O3 -","- C17 H22 N4 O3 -","- C34 H44 N8 O6 -","2","1","","Hu, JingHan; Sun, You; Qi, Jing; Pei, Peng-Xiang; Lin, Qi; Zhang, You-Ming","A colorimetric and “turn-on” fluorimetric chemosensor for selective detection of cyanide and its application in food sample","RSC Adv.","2016","","","","","10.1039/C6RA16378E","","x-ray","0.71073","MoKα","","0.1944","0.0563","","","0.1101","0.1296","","","","","","0.707","","","","has coordinates,has disorder","187392","2020-10-21","18:00:00",""
"7226823","11.1871","0.001","10.6211","0.0009","9.5987","0.0008","90","","94.301","0.002","90","","1137.3","0.17","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C9 H6 Cl N7 Zn -","- C9 H6 Cl N7 Zn -","- C36 H24 Cl4 N28 Zn4 -","4","1","","Du, Jian-Long; Li, Chao-Ping; Gao, Ju-Ping; Zhang, Xiao-Ying; Jing, Xu; Mu, Yajuan; Li, Li-Jun","Zn(II) and Cd(II) coordination networks based on N-donor ligand: synthesis, crystal structures, and sensing of nitroaromatic explosives","RSC Adv.","2016","","","","","10.1039/C6RA22875E","","","0.71073","MoKα","","0.0355","0.0293","","","0.0747","0.078","","","","","","1.108","","","","has coordinates","187421","2020-10-21","18:00:00",""
"7226824","6.8339","0.0014","7.4174","0.0015","14.147","0.003","90","","92.38","0.03","90","","716.5","0.3","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C9 H6 Cd2 Cl3 N7 -","- C9 H6 Cd2 Cl3 N7 -","- C18 H12 Cd4 Cl6 N14 -","2","1","","Du, Jian-Long; Li, Chao-Ping; Gao, Ju-Ping; Zhang, Xiao-Ying; Jing, Xu; Mu, Yajuan; Li, Li-Jun","Zn(II) and Cd(II) coordination networks based on N-donor ligand: synthesis, crystal structures, and sensing of nitroaromatic explosives","RSC Adv.","2016","","","","","10.1039/C6RA22875E","","","0.71073","MoKα","","0.0132","0.0131","","","0.0307","0.0307","","","","","","1.093","","","","has coordinates","187421","2020-10-21","18:00:00",""
"7226825","7.4214","0.0005","7.6426","0.0005","9.4988","0.001","99.814","0.002","97.755","0.002","110.091","0.001","487.55","0.07","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H16 N14 O2 Zn -","- C18 H16 N14 O2 Zn -","- C18 H16 N14 O2 Zn -","1","0.5","","Du, Jian-Long; Li, Chao-Ping; Gao, Ju-Ping; Zhang, Xiao-Ying; Jing, Xu; Mu, Yajuan; Li, Li-Jun","Zn(II) and Cd(II) coordination networks based on N-donor ligand: synthesis, crystal structures, and sensing of nitroaromatic explosives","RSC Adv.","2016","","","","","10.1039/C6RA22875E","","","0.71073","MoKα","","0.0253","0.0236","","","0.0586","0.0596","","","","","","1.085","","","","has coordinates","187421","2020-10-21","18:00:00",""
"7226826","7.5563","0.0008","7.734","0.0008","9.5778","0.0016","99.045","0.002","98.024","0.002","110.369","0.002","506.66","0.11","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H16 Cd N14 O2 -","- C18 H16 Cd N14 O2 -","- C18 H16 Cd N14 O2 -","1","0.5","","Du, Jian-Long; Li, Chao-Ping; Gao, Ju-Ping; Zhang, Xiao-Ying; Jing, Xu; Mu, Yajuan; Li, Li-Jun","Zn(II) and Cd(II) coordination networks based on N-donor ligand: synthesis, crystal structures, and sensing of nitroaromatic explosives","RSC Adv.","2016","","","","","10.1039/C6RA22875E","","","0.71073","MoKα","","0.0187","0.0184","","","0.0474","0.0477","","","","","","1.085","","","","has coordinates","187421","2020-10-21","18:00:00",""
"7226827","10.6236","0.0017","13.53","0.002","16.128","0.002","66.459","0.015","87.591","0.012","78.066","0.014","2077.2","0.6","100","1","100","1","","","","","","","","6","P -1","-P 1","2","","","","- C60 H74 Cl4 Fe2 N16 O22 -","- C60 H74 Cl4 Fe2 N16 O22 -","- C60 H74 Cl4 Fe2 N16 O22 -","1","0.5","","Gorczyński, Adam; Kubicki, Maciej; Szymkowiak, Klaudia; Łuczak, Teresa; Patroniak, Violetta","Utilization of new gold/schiff-base iron(III) complex composite as highly sensitive voltammetric sensor for determination of epinephrine in the presence of ascorbic acid","RSC Adv.","2016","","","","","10.1039/C6RA22028B","","x-ray","0.71073","MoKα","","0.2002","0.0986","","","0.1547","0.1833","","","","","","0.932","","","","has coordinates","187422","2020-10-21","18:00:00",""
"7226828","11.4426","0.0005","13.0011","0.0005","24.5126","0.001","90.991","0.003","91.953","0.004","92.005","0.004","3641.7","0.3","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","","","- C32 H38 Cl2 N8 O9.5 -","- C32 H38 Cl2 N8 O9.5 -","- C128 H152 Cl8 N32 O38 -","4","2","","Gorczyński, Adam; Kubicki, Maciej; Szymkowiak, Klaudia; Łuczak, Teresa; Patroniak, Violetta","Utilization of new gold/schiff-base iron(III) complex composite as highly sensitive voltammetric sensor for determination of epinephrine in the presence of ascorbic acid","RSC Adv.","2016","","","","","10.1039/C6RA22028B","","","1.5418","CuKα","","0.1469","0.102","","","0.2313","0.2603","","","","","","1.046","","","","has coordinates","193656","2020-10-21","18:00:00",""
"7226829","10.7683","0.0004","13.4401","0.0005","8.4892","0.0003","90","","93.755","0.002","90","","1225.98","0.08","155","2","155","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C14 H12 N2 O3 -","- C14 H12 N2 O3 -","- C56 H48 N8 O12 -","4","1","","Banerjee, Saikat; Brandao, Paula; Saha, Amrita","A Robust Fluorescent Chemosensor for Aluminium Ion Detection Based on Schiff base Ligand with Azo Arm and Application in Molecular Logic Gate","RSC Adv.","2016","","","","","10.1039/C6RA21217D","","","0.71073","MoKα","","0.0378","0.0331","","","0.0812","0.0842","","","","","","1.029","","","","has coordinates","187423","2020-10-21","18:00:00",""
"7226830","8.648","0.002","11.051","0.003","13.816","0.004","91.833","0.009","97.71","0.009","92.902","0.008","1305.8","0.6","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C31 H30 N6 O4 -","- C31 H30 N6 O4 -","- C62 H60 N12 O8 -","2","1","","Banerjee, Saikat; Brandao, Paula; Saha, Amrita","A Robust Fluorescent Chemosensor for Aluminium Ion Detection Based on Schiff base Ligand with Azo Arm and Application in Molecular Logic Gate","RSC Adv.","2016","","","","","10.1039/C6RA21217D","","","0.71073","MoKα","","0.2097","0.1616","","","0.4275","0.4619","","","","","","1.753","","","","has coordinates","187423","2020-10-21","18:00:00",""
"7226831","7.161","0.0002","7.161","0.0002","8.0474","0.0004","90","","90","","120","","357.38","0.02","293","2","293","2","","","","","","","","5","P 63 2 2","P 6c 2c","182","","ammonium nickel formate","","- C3 H7 N Ni O6 -","- C3 H7.0002 N Ni O6 -","- C6 H14.0004 N2 Ni2 O12 -","2","0.166667","","Collings, Ines E.; Bykov, Maxim; Bykova, Elena; Tucker, Matthew G.; Petitgirard, Sylvain; Hanfland, Michael; Glazyrin, Konstantin; van Smaalen, Sander; Goodwin, Andrew L.; Dubrovinsky, Leonid; Dubrovinskaia, Natalia","Structural distortions in the high-pressure polar phases of ammonium metal formates","CrystEngComm","2016","18","46","8849","","10.1039/C6CE01891B","","","0.41168","synchrotron","","0.0604","0.0499","","","0.1216","0.1369","","","","","","1.239","","","","has coordinates","190064","2020-10-21","18:00:00",""
"7226832","7.1208","0.0006","7.1208","0.0006","8.0513","0.0004","90","","90","","120","","353.55","0.05","293","2","293","2","","","","","","","","5","P 63 2 2","P 6c 2c","182","","ammonium nickel formate","","- C3 H7 N Ni O6 -","- C3 H7.0002 N Ni O6 -","- C6 H14.0004 N2 Ni2 O12 -","2","0.166667","","Collings, Ines E.; Bykov, Maxim; Bykova, Elena; Tucker, Matthew G.; Petitgirard, Sylvain; Hanfland, Michael; Glazyrin, Konstantin; van Smaalen, Sander; Goodwin, Andrew L.; Dubrovinsky, Leonid; Dubrovinskaia, Natalia","Structural distortions in the high-pressure polar phases of ammonium metal formates","CrystEngComm","2016","18","46","8849","","10.1039/C6CE01891B","","","0.41168","synchrotron","","0.0682","0.0496","","","0.1086","0.1276","","","","","","1.1","","","","has coordinates","190064","2020-10-21","18:00:00",""
"7226833","6.306","0.013","8.0599","0.0014","7.25","0.013","90","","115.6","0.2","90","","332.3","1.1","293","","293","","","","","","","","","5","P 1 21 1","P 2yb","4","","ammonium nickel formate","","- C3 H7 N Ni O6 -","- C3 H3 N Ni O6 -","- C6 H6 N2 Ni2 O12 -","2","1","","Collings, Ines E.; Bykov, Maxim; Bykova, Elena; Tucker, Matthew G.; Petitgirard, Sylvain; Hanfland, Michael; Glazyrin, Konstantin; van Smaalen, Sander; Goodwin, Andrew L.; Dubrovinsky, Leonid; Dubrovinskaia, Natalia","Structural distortions in the high-pressure polar phases of ammonium metal formates","CrystEngComm","2016","18","46","8849","","10.1039/C6CE01891B","","x-ray","0.41168","synchrotron","","0.1801","0.1111","","","0.1271","0.1417","","","","2.97","2.97","2.19","","","","has coordinates","190064","2020-10-21","18:00:00",""
"7226834","7.2864","0.00016","7.2864","0.00016","8.05248","0.00018","90","","90","","120","","370.243","0.014","293","2","293","2","","","","","","","","5","P 63 2 2","P 6c 2c","182","","ammonium nickel formate","","- C3 H7 N Ni O6 -","- C3 H7.0002 N Ni O6 -","- C6 H14.0004 N2 Ni2 O12 -","2","0.166667","","Collings, Ines E.; Bykov, Maxim; Bykova, Elena; Tucker, Matthew G.; Petitgirard, Sylvain; Hanfland, Michael; Glazyrin, Konstantin; van Smaalen, Sander; Goodwin, Andrew L.; Dubrovinsky, Leonid; Dubrovinskaia, Natalia","Structural distortions in the high-pressure polar phases of ammonium metal formates","CrystEngComm","2016","18","46","8849","","10.1039/C6CE01891B","","","0.71073","MoKα","","0.0257","0.021","","","0.0448","0.0455","","","","","","1.169","","","","has coordinates","190064","2020-10-21","18:00:00",""
"7226835","7.26097","0.00016","7.26097","0.00016","8.0811","0.0002","90","","90","","120","","368.969","0.015","100","2","100","2","","","","","","","","5","P 63 2 2","P 6c 2c","182","","ammonium nickel formate","","- C3 H7 N Ni O6 -","- C3 H7 N Ni O6 -","- C6 H14 N2 Ni2 O12 -","2","0.166667","","Collings, Ines E.; Bykov, Maxim; Bykova, Elena; Tucker, Matthew G.; Petitgirard, Sylvain; Hanfland, Michael; Glazyrin, Konstantin; van Smaalen, Sander; Goodwin, Andrew L.; Dubrovinsky, Leonid; Dubrovinskaia, Natalia","Structural distortions in the high-pressure polar phases of ammonium metal formates","CrystEngComm","2016","18","46","8849","","10.1039/C6CE01891B","","","0.71073","MoKα","","0.0188","0.0179","","","0.0473","0.0477","","","","","","1.176","","","","has coordinates","190064","2020-10-21","18:00:00",""
"7226836","6.668","0.006","8.298","0.004","7.393","0.006","90","","116.64","0.11","90","","365.6","0.6","293","","293","","","","","","","","","5","P 1 21 1","P 2yb","4","","ammonium iron formate","","- C3 H7 Fe N O6 -","- C3 H3 Fe N O6 -","- C6 H6 Fe2 N2 O12 -","2","1","","Collings, Ines E.; Bykov, Maxim; Bykova, Elena; Tucker, Matthew G.; Petitgirard, Sylvain; Hanfland, Michael; Glazyrin, Konstantin; van Smaalen, Sander; Goodwin, Andrew L.; Dubrovinsky, Leonid; Dubrovinskaia, Natalia","Structural distortions in the high-pressure polar phases of ammonium metal formates","CrystEngComm","2016","18","46","8849","","10.1039/C6CE01891B","","x-ray","0.2903","synchrotron","","0.1914","0.1431","","","0.1562","0.1657","","","","3.31","3.31","2.44","","","","has coordinates","190064","2020-10-21","18:00:00",""
"7226837","3.8271","0.0003","19.192","0.002","10.816","0.002","90","","91.771","0.011","90","","794.05","0.18","299","2","299","2","500000","","500000","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C9 H6 F2 O2 -","- C9 H6 F2 O2 -","- C36 H24 F8 O8 -","4","1","","Galica, T.; Bąkowicz, J.; Konieczny, K.; Turowska-Tyrk, I.","Structural transformations in crystals induced by radiation and pressure. Part 5. The influence of pressure on the course of the photochemical reaction in crystals of 2,6-difluorocinnamic acid","CrystEngComm","2016","18","46","8871","","10.1039/C6CE01652A","","","0.71073","MoKα","","0.1198","0.0502","","","0.099","0.1181","","","","","","1.006","","","","has coordinates","190066","2020-10-21","18:00:00",""
"7226838","3.84","0.002","19.183","0.016","10.87","0.018","90","","91.94","0.08","90","","800.3","1.5","299","2","299","2","500000","","500000","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C9 H6 F2 O2 -","- C9 H6 F2 O2 -","- C36 H24 F8 O8 -","4","1","","Galica, T.; Bąkowicz, J.; Konieczny, K.; Turowska-Tyrk, I.","Structural transformations in crystals induced by radiation and pressure. Part 5. The influence of pressure on the course of the photochemical reaction in crystals of 2,6-difluorocinnamic acid","CrystEngComm","2016","18","46","8871","","10.1039/C6CE01652A","","","0.71073","MoKα","","0.2555","0.1334","","","0.3255","0.3985","","","","","","1.144","","","","has coordinates,has disorder","190066","2020-10-21","18:00:00",""
"7226839","3.7896","0.0004","19.207","0.002","10.703","0.003","90","","91.51","0.011","90","","778.8","0.2","299","2","299","2","1100000","","1100000","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C9 H6 F2 O2 -","- C9 H6 F2 O2 -","- C36 H24 F8 O8 -","4","1","","Galica, T.; Bąkowicz, J.; Konieczny, K.; Turowska-Tyrk, I.","Structural transformations in crystals induced by radiation and pressure. Part 5. The influence of pressure on the course of the photochemical reaction in crystals of 2,6-difluorocinnamic acid","CrystEngComm","2016","18","46","8871","","10.1039/C6CE01652A","","","0.71073","MoKα","","0.1633","0.0908","","","0.2382","0.2958","","","","","","1.043","","","","has coordinates","190066","2020-10-21","18:00:00",""
"7226840","3.7768","0.0005","19.151","0.003","10.824","0.004","90","","91.839","0.017","90","","782.5","0.3","299","2","299","2","1100000","","1100000","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C9 H6 F2 O2 -","- C9.009 H6.006 F2.002 O2.002 -","- C36.036 H24.024 F8.008 O8.008 -","4","1","","Galica, T.; Bąkowicz, J.; Konieczny, K.; Turowska-Tyrk, I.","Structural transformations in crystals induced by radiation and pressure. Part 5. The influence of pressure on the course of the photochemical reaction in crystals of 2,6-difluorocinnamic acid","CrystEngComm","2016","18","46","8871","","10.1039/C6CE01652A","","","0.71073","MoKα","","0.2136","0.1106","","","0.3012","0.3677","","","","","","1.115","","","","has coordinates,has disorder","190066","2020-10-21","18:00:00",""
"7226841","3.7692","0.0006","19.123","0.003","10.849","0.004","90","","91.978","0.018","90","","781.5","0.3","299","2","299","2","1100000","","1100000","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C9 H6 F2 O2 -","- C8.991 H5.994 F1.998 O1.998 -","- C35.964 H23.976 F7.992 O7.992 -","4","1","","Galica, T.; Bąkowicz, J.; Konieczny, K.; Turowska-Tyrk, I.","Structural transformations in crystals induced by radiation and pressure. Part 5. The influence of pressure on the course of the photochemical reaction in crystals of 2,6-difluorocinnamic acid","CrystEngComm","2016","18","46","8871","","10.1039/C6CE01652A","","","0.71073","MoKα","","0.2793","0.1424","","","0.3454","0.4247","","","","","","1.226","","","","has coordinates,has disorder","190066","2020-10-21","18:00:00",""
"7226842","3.7692","0.0008","19.124","0.004","10.887","0.006","90","","91.98","0.03","90","","784.3","0.5","299","2","299","2","1100000","","1100000","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C9 H6 F2 O2 -","- C9 H6 F2 O2 -","- C36 H24 F8 O8 -","4","1","","Galica, T.; Bąkowicz, J.; Konieczny, K.; Turowska-Tyrk, I.","Structural transformations in crystals induced by radiation and pressure. Part 5. The influence of pressure on the course of the photochemical reaction in crystals of 2,6-difluorocinnamic acid","CrystEngComm","2016","18","46","8871","","10.1039/C6CE01652A","","","0.71073","MoKα","","0.2691","0.1352","","","0.3264","0.4037","","","","","","1.157","","","","has coordinates,has disorder","190066","2020-10-21","18:00:00",""
"7226843","3.6777","0.0015","19.13","0.01","10.443","0.011","90","","90.52","0.05","90","","734.7","0.9","299","2","299","2","2100000","","2100000","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C9 H6 F2 O2 -","- C9 H6 F2 O2 -","- C36 H24 F8 O8 -","4","1","","Galica, T.; Bąkowicz, J.; Konieczny, K.; Turowska-Tyrk, I.","Structural transformations in crystals induced by radiation and pressure. Part 5. The influence of pressure on the course of the photochemical reaction in crystals of 2,6-difluorocinnamic acid","CrystEngComm","2016","18","46","8871","","10.1039/C6CE01652A","","","0.71073","MoKα","","0.0835","0.0474","","","0.0995","0.1141","","","","","","1.023","","","","has coordinates","190066","2020-10-21","18:00:00",""
"7226844","3.6652","0.0005","19.07","0.003","10.517","0.003","90","","90.798","0.016","90","","735","0.3","299","2","299","2","2100000","","2100000","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C9 H6 F2 O2 -","- C9 H6 F2 O2 -","- C36 H24 F8 O8 -","4","1","","Galica, T.; Bąkowicz, J.; Konieczny, K.; Turowska-Tyrk, I.","Structural transformations in crystals induced by radiation and pressure. Part 5. The influence of pressure on the course of the photochemical reaction in crystals of 2,6-difluorocinnamic acid","CrystEngComm","2016","18","46","8871","","10.1039/C6CE01652A","","","0.71073","MoKα","","0.1287","0.0686","","","0.1758","0.2297","","","","","","1.062","","","","has coordinates,has disorder","190066","2020-10-21","18:00:00",""
"7226845","3.6528","0.0011","19.053","0.006","10.581","0.006","90","","90.9","0.03","90","","736.3","0.5","299","2","299","2","2100000","","2100000","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C9 H6 F2 O2 -","- C9 H6 F2 O2 -","- C36 H24 F8 O8 -","4","1","","Galica, T.; Bąkowicz, J.; Konieczny, K.; Turowska-Tyrk, I.","Structural transformations in crystals induced by radiation and pressure. Part 5. The influence of pressure on the course of the photochemical reaction in crystals of 2,6-difluorocinnamic acid","CrystEngComm","2016","18","46","8871","","10.1039/C6CE01652A","","","0.71073","MoKα","","0.1622","0.0785","","","0.2033","0.2632","","","","","","1.049","","","","has coordinates,has disorder","190066","2020-10-21","18:00:00",""
"7226846","3.642","0.0007","19.023","0.004","10.626","0.005","90","","91.14","0.02","90","","736","0.4","299","2","299","2","2100000","","2100000","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C9 H6 F2 O2 -","- C9 H6 F2 O2 -","- C36 H24 F8 O8 -","4","1","","Galica, T.; Bąkowicz, J.; Konieczny, K.; Turowska-Tyrk, I.","Structural transformations in crystals induced by radiation and pressure. Part 5. The influence of pressure on the course of the photochemical reaction in crystals of 2,6-difluorocinnamic acid","CrystEngComm","2016","18","46","8871","","10.1039/C6CE01652A","","","0.71073","MoKα","","0.1778","0.097","","","0.2552","0.3109","","","","","","1.056","","","","has coordinates,has disorder","190066","2020-10-21","18:00:00",""
"7226847","3.639","0.0007","19.002","0.004","10.645","0.005","90","","91.14","0.02","90","","735.9","0.4","299","2","299","2","2100000","","2100000","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C9 H6 F2 O2 -","- C9.009 H6.006 F2.002 O2.002 -","- C36.036 H24.024 F8.008 O8.008 -","4","1","","Galica, T.; Bąkowicz, J.; Konieczny, K.; Turowska-Tyrk, I.","Structural transformations in crystals induced by radiation and pressure. Part 5. The influence of pressure on the course of the photochemical reaction in crystals of 2,6-difluorocinnamic acid","CrystEngComm","2016","18","46","8871","","10.1039/C6CE01652A","","","0.71073","MoKα","","0.2146","0.1094","","","0.2902","0.3538","","","","","","1.072","","","","has coordinates,has disorder","190066","2020-10-21","18:00:00",""
"7226848","3.6358","0.0017","18.973","0.011","10.701","0.013","90","","91.72","0.06","90","","737.8","1.1","299","2","299","2","2100000","","2100000","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C9 H6 F2 O2 -","- C9.009 H6.006 F2.002 O2.002 -","- C36.036 H24.024 F8.008 O8.008 -","4","1","","Galica, T.; Bąkowicz, J.; Konieczny, K.; Turowska-Tyrk, I.","Structural transformations in crystals induced by radiation and pressure. Part 5. The influence of pressure on the course of the photochemical reaction in crystals of 2,6-difluorocinnamic acid","CrystEngComm","2016","18","46","8871","","10.1039/C6CE01652A","","","0.71073","MoKα","","0.2524","0.1204","","","0.306","0.3922","","","","","","1.085","","","","has coordinates,has disorder","190066","2020-10-21","18:00:00",""
"7226849","3.6223","0.0014","18.978","0.009","10.755","0.014","90","","91.34","0.06","90","","739.1","1.1","299","2","299","2","2100000","","2100000","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C9 H6 F2 O2 -","- C9 H6 F2 O2 -","- C36 H24 F8 O8 -","4","1","","Galica, T.; Bąkowicz, J.; Konieczny, K.; Turowska-Tyrk, I.","Structural transformations in crystals induced by radiation and pressure. Part 5. The influence of pressure on the course of the photochemical reaction in crystals of 2,6-difluorocinnamic acid","CrystEngComm","2016","18","46","8871","","10.1039/C6CE01652A","","","0.71073","MoKα","","0.2846","0.1191","","","0.2824","0.392","","","","","","1.029","","","","has coordinates,has disorder","190066","2020-10-21","18:00:00",""
"7226850","19.7883","0.0017","10.4567","0.0009","20.906","0.0018","90","","95.94","0.001","90","","4302.6","0.6","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","SC352","RingBDT(T3CHO)2","","- C48 H40 O4 S8 -","- C48 H40 O4 S8 -","- C192 H160 O16 S32 -","4","1","","Venkatesan, Swaminathan; Sun, Jianyuan; Zhang, Lianjie; Dubey, Ashish; Sykes, Andrew; Lin, Ting-Yu; Hung, Yu-Chueh; Qiao, Qiquan; Zhang, Cheng","An Oligothiophene Chromophore with a Macrocyclic Side Chain: Synthesis, Morphology, Charge Transport, and Photovoltaic Performance","RSC Adv.","2016","","","","","10.1039/C6RA21681A","","","0.71073","MoKα","","0.1011","0.0687","","","0.1742","0.1988","","","","","","1.043","","","","has coordinates,has disorder","187450","2020-10-21","18:00:00",""
"7226851","17.271","0.003","10.5858","0.0018","12.465","0.0018","90","","109.392","0.004","90","","2149.7","0.6","200","2","200","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C19 H38 Al N3 -","- C19 H38 Al N3 -","- C76 H152 Al4 N12 -","4","0.5","","Han, HongFei; Guo, Zhiqiang; Zhang, ShaoFeng; Li, Jie; Wei, Xuehong","Guanidinatoaluminum Complexes: Synthesis, Crystal Structures and Reactivities","RSC Adv.","2016","","","","","10.1039/C6RA18367K","","","0.71073","MoKα","","0.0612","0.043","","","0.1119","0.1228","","","","","","1.014","","","","has coordinates","187451","2020-10-21","18:00:00",""
"7226852","27.518","0.006","12.706","0.003","12.306","0.003","90","","90.849","0.004","90","","4302.2","1.7","200","2","200","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C38 H76 Al2 N6 O2 -","- C38 H76 Al2 N6 O2 -","- C152 H304 Al8 N24 O8 -","4","0.5","","Han, HongFei; Guo, Zhiqiang; Zhang, ShaoFeng; Li, Jie; Wei, Xuehong","Guanidinatoaluminum Complexes: Synthesis, Crystal Structures and Reactivities","RSC Adv.","2016","","","","","10.1039/C6RA18367K","","","0.71073","MoKα","","0.0558","0.0425","","","0.1124","0.1236","","","","","","1.052","","","","has coordinates","187451","2020-10-21","18:00:00",""
"7226853","8.3047","0.0003","16.8422","0.0006","15.7434","0.0006","90","","103.654","0.001","90","","2139.79","0.14","200","2","200","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C42 H60 Al2 N6 O2 -","- C42 H60 Al2 N6 O2 -","- C84 H120 Al4 N12 O4 -","2","0.5","","Han, HongFei; Guo, Zhiqiang; Zhang, ShaoFeng; Li, Jie; Wei, Xuehong","Guanidinatoaluminum Complexes: Synthesis, Crystal Structures and Reactivities","RSC Adv.","2016","","","","","10.1039/C6RA18367K","","","0.71073","MoKα","","0.0607","0.0463","","","0.1241","0.136","","","","","","1.06","","","","has coordinates","187451","2020-10-21","18:00:00",""
"7226854","24.964","0.004","10.0221","0.0018","17.071","0.003","90","","131.848","0.003","90","","3181.6","1","200","2","200","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C32 H48 Al N5 -","- C32 H48 Al N5 -","- C128 H192 Al4 N20 -","4","1","","Han, HongFei; Guo, Zhiqiang; Zhang, ShaoFeng; Li, Jie; Wei, Xuehong","Guanidinatoaluminum Complexes: Synthesis, Crystal Structures and Reactivities","RSC Adv.","2016","","","","","10.1039/C6RA18367K","","","0.71073","MoKα","","0.0921","0.054","","","0.1307","0.1512","","","","","","0.988","","","","has coordinates","187451","2020-10-21","18:00:00",""
"7226855","12.464","0.003","20.316","0.004","13.201","0.003","90","","94.897","0.004","90","","3330.5","1.3","200","2","200","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C36 H44 Al N5 -","- C36 H44 Al N5 -","- C144 H176 Al4 N20 -","4","1","","Han, HongFei; Guo, Zhiqiang; Zhang, ShaoFeng; Li, Jie; Wei, Xuehong","Guanidinatoaluminum Complexes: Synthesis, Crystal Structures and Reactivities","RSC Adv.","2016","","","","","10.1039/C6RA18367K","","","0.71073","MoKα","","0.0898","0.0565","","","0.1477","0.1714","","","","","","1.023","","","","has coordinates","187451","2020-10-21","18:00:00",""
"7226856","11.1562","0.0004","16.8733","0.0006","16.4632","0.0004","90","","129.232","0.002","90","","2400.51","0.15","200","2","200","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C40 H82 Al4 N6 O2 -","- C40 H82 Al4 N6 O2 -","- C80 H164 Al8 N12 O4 -","2","0.5","","Han, HongFei; Guo, Zhiqiang; Zhang, ShaoFeng; Li, Jie; Wei, Xuehong","Guanidinatoaluminum Complexes: Synthesis, Crystal Structures and Reactivities","RSC Adv.","2016","","","","","10.1039/C6RA18367K","","","0.71073","MoKα","","0.106","0.0638","","","0.1474","0.1721","","","","","","1.071","","","","has coordinates,has disorder","187451","2020-10-21","18:00:00",""
"7226857","9.9266","0.0019","10.066","0.002","12.602","0.002","67.169","0.005","68.259","0.005","63.613","0.005","1009.3","0.3","200","2","200","2","","","","","","","","4","P -1","-P 1","2","","","","- C19 H32 Al N3 -","- C19 H32 Al N3 -","- C38 H64 Al2 N6 -","2","1","","Han, HongFei; Guo, Zhiqiang; Zhang, ShaoFeng; Li, Jie; Wei, Xuehong","Guanidinatoaluminum Complexes: Synthesis, Crystal Structures and Reactivities","RSC Adv.","2016","","","","","10.1039/C6RA18367K","","","0.71073","MoKα","","0.099","0.0695","","","0.1744","0.1991","","","","","","1.056","","","","has coordinates","187451","2020-10-21","18:00:00",""
"7226858","25.555","0.003","6.4995","0.0009","23.831","0.003","90","","120.629","0.002","90","","3406","0.8","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C35 H55 Al N6 -","- C35 H55 Al N6 -","- C140 H220 Al4 N24 -","4","0.5","","Han, HongFei; Guo, Zhiqiang; Zhang, ShaoFeng; Li, Jie; Wei, Xuehong","Guanidinatoaluminum Complexes: Synthesis, Crystal Structures and Reactivities","RSC Adv.","2016","","","","","10.1039/C6RA18367K","","","0.71073","MoKα","","0.0581","0.0426","","","0.0966","0.1047","","","","","","1.021","","","","has coordinates","187451","2020-10-21","18:00:00",""
"7226859","10.9347","0.0015","14.4261","0.0014","13.9266","0.0016","90","","107.794","0.013","90","","2091.8","0.5","130","2","130","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C19 H35 N Ni O P2 -","- C19 H35 N Ni O P2 -","- C76 H140 N4 Ni4 O4 P8 -","4","1","","Garcia-Ventura, Uzi; Flores-Álamo, Marcos; Garcia, Juventino J.","Carbon-Carbon vs. Carbon-Oxygen bond activation in 2- and 3-Furonitriles with Nickel.","RSC Adv.","2016","","","","","10.1039/C6RA20244F","","","0.71073","MoKα","","0.0765","0.0428","","","0.08","0.0939","","","","","","1.078","","","","has coordinates","187452","2020-10-21","18:00:00",""
"7226860","15.6451","0.0009","14.6989","0.0013","19.3297","0.0015","90","","103.432","0.006","90","","4323.6","0.6","130","2","130","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C19 H35 N Ni O P2 -","- C19 H35 N Ni O P2 -","- C152 H280 N8 Ni8 O8 P16 -","8","2","","Garcia-Ventura, Uzi; Flores-Álamo, Marcos; Garcia, Juventino J.","Carbon-Carbon vs. Carbon-Oxygen bond activation in 2- and 3-Furonitriles with Nickel.","RSC Adv.","2016","","","","","10.1039/C6RA20244F","","","0.71073","MoKα","","0.1064","0.0591","","","0.1437","0.1738","","","","","","1.089","","","","has coordinates","187452","2020-10-21","18:00:00",""
"7226861","7.6855","0.0015","7.8344","0.0016","8.1579","0.0016","91.15","0.03","104.78","0.03","116.81","0.03","418.7","0.2","293","2","293","2","","","","","","","","6","P 1","P 1","1","","","","- C13 H14 Hg I2 N4 O2 -","- C13 H12 Hg I2 N4 O2 -","- C13 H12 Hg I2 N4 O2 -","1","1","","Mahmoudi, Ghodrat; Bauzá, Antonio; Gurbanov, Atash V.; Zubkov, Fedor I.; Maniukiewicz, Waldemar; Rodríguez-Diéguez, Antonio; López-Torres, Elena; Frontera, Antonio","The role of unconventional stacking interactions in the supramolecular assemblies of Hg(ii) coordination compounds","CrystEngComm","2016","18","47","9056","","10.1039/C6CE02073A","","","0.71073","MoKα","","0.0368","0.0323","","","0.0788","0.0814","","","","","","1.041","","","","has coordinates","190095","2020-10-21","18:00:00",""
"7226862","9.2294","0.0003","11.4544","0.0003","18.2305","0.0006","80.471","0.003","77.234","0.003","87.169","0.003","1853.54","0.1","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C18 H14 Cl2 Hg N4 O -","- C18 H14 Cl2 Hg N4 O -","- C72 H56 Cl8 Hg4 N16 O4 -","4","2","","Mahmoudi, Ghodrat; Bauzá, Antonio; Gurbanov, Atash V.; Zubkov, Fedor I.; Maniukiewicz, Waldemar; Rodríguez-Diéguez, Antonio; López-Torres, Elena; Frontera, Antonio","The role of unconventional stacking interactions in the supramolecular assemblies of Hg(ii) coordination compounds","CrystEngComm","2016","18","47","9056","","10.1039/C6CE02073A","","","1.54184","CuKα","","0.0371","0.0349","","","0.0904","0.0927","","","","","","0.94","","","","has coordinates","190095","2020-10-21","18:00:00",""
"7226863","9.3269","0.0006","11.5055","0.0009","18.7159","0.0012","79.29","0.006","77.048","0.006","86.951","0.006","1923.1","0.2","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C18 H14 Br2 Hg N4 O -","- C18 H14 Br2 Hg N4 O -","- C72 H56 Br8 Hg4 N16 O4 -","4","2","","Mahmoudi, Ghodrat; Bauzá, Antonio; Gurbanov, Atash V.; Zubkov, Fedor I.; Maniukiewicz, Waldemar; Rodríguez-Diéguez, Antonio; López-Torres, Elena; Frontera, Antonio","The role of unconventional stacking interactions in the supramolecular assemblies of Hg(ii) coordination compounds","CrystEngComm","2016","18","47","9056","","10.1039/C6CE02073A","","","1.54184","CuKα","","0.0739","0.0705","","","0.1801","0.1871","","","","","","1.053","","","","has coordinates","190095","2020-10-21","18:00:00",""
"7226864","19.9763","0.0002","11.8392","0.0001","17.7194","0.0002","90","","103.328","0.001","90","","4077.83","0.07","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C18 H14 Hg I2 N4 O -","- C18 H14 Hg I2 N4 O -","- C144 H112 Hg8 I16 N32 O8 -","8","2","","Mahmoudi, Ghodrat; Bauzá, Antonio; Gurbanov, Atash V.; Zubkov, Fedor I.; Maniukiewicz, Waldemar; Rodríguez-Diéguez, Antonio; López-Torres, Elena; Frontera, Antonio","The role of unconventional stacking interactions in the supramolecular assemblies of Hg(ii) coordination compounds","CrystEngComm","2016","18","47","9056","","10.1039/C6CE02073A","","","1.54184","CuKα","","0.0322","0.029","","","0.0708","0.0728","","","","","","1.062","","","","has coordinates","190095","2020-10-21","18:00:00",""
"7226865","7.3839","0.0007","12.574","0.0011","15.6783","0.0013","90","","91.892","0.005","90","","1454.9","0.2","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C12 H10 Br2 Hg N4 O -","- C12 H10 Br2 Hg N4 O -","- C48 H40 Br8 Hg4 N16 O4 -","4","1","","Mahmoudi, Ghodrat; Bauzá, Antonio; Gurbanov, Atash V.; Zubkov, Fedor I.; Maniukiewicz, Waldemar; Rodríguez-Diéguez, Antonio; López-Torres, Elena; Frontera, Antonio","The role of unconventional stacking interactions in the supramolecular assemblies of Hg(ii) coordination compounds","CrystEngComm","2016","18","47","9056","","10.1039/C6CE02073A","","","0.71073","MoKα","","0.04","0.03","","","0.0575","0.06","","","","","","1.039","","","","has coordinates","190095","2020-10-21","18:00:00",""
"7226866","8.8275","0.0002","9.8653","0.0002","10.7261","0.0003","92.093","0.002","91.266","0.002","114.712","0.001","847.26","0.04","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C13 H14 Br2 Hg N4 O2 -","- C13 H14 Br2 Hg N4 O2 -","- C26 H28 Br4 Hg2 N8 O4 -","2","1","","Mahmoudi, Ghodrat; Bauzá, Antonio; Gurbanov, Atash V.; Zubkov, Fedor I.; Maniukiewicz, Waldemar; Rodríguez-Diéguez, Antonio; López-Torres, Elena; Frontera, Antonio","The role of unconventional stacking interactions in the supramolecular assemblies of Hg(ii) coordination compounds","CrystEngComm","2016","18","47","9056","","10.1039/C6CE02073A","","","0.71069","MoKα","","0.0679","0.0398","","","0.0963","0.1246","","","","","","1.062","","","","has coordinates","190095","2020-10-21","18:00:00",""
"7226867","7.9297","0.0016","13.566","0.003","14.212","0.003","90","","90.29","0.03","90","","1528.8","0.6","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C13 H12 Cl2 Hg N4 O -","- C13 H12 Cl2 Hg N4 O -","- C52 H48 Cl8 Hg4 N16 O4 -","4","1","","Mahmoudi, Ghodrat; Bauzá, Antonio; Gurbanov, Atash V.; Zubkov, Fedor I.; Maniukiewicz, Waldemar; Rodríguez-Diéguez, Antonio; López-Torres, Elena; Frontera, Antonio","The role of unconventional stacking interactions in the supramolecular assemblies of Hg(ii) coordination compounds","CrystEngComm","2016","18","47","9056","","10.1039/C6CE02073A","","","0.71073","MoKα","","0.0478","0.0266","","","0.054","0.0591","","","","","","1.03","","","","has coordinates","190095","2020-10-21","18:00:00",""
"7226868","8.1943","0.0002","13.4627","0.0002","14.4493","0.0003","90","","90.865","0.002","90","","1593.83","0.06","190","2","190","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C13 H12 Br2 Hg N4 O -","- C13 H12 Br2 Hg N4 O -","- C52 H48 Br8 Hg4 N16 O4 -","4","1","","Mahmoudi, Ghodrat; Bauzá, Antonio; Gurbanov, Atash V.; Zubkov, Fedor I.; Maniukiewicz, Waldemar; Rodríguez-Diéguez, Antonio; López-Torres, Elena; Frontera, Antonio","The role of unconventional stacking interactions in the supramolecular assemblies of Hg(ii) coordination compounds","CrystEngComm","2016","18","47","9056","","10.1039/C6CE02073A","","","0.71073","MoKα","","0.0586","0.0368","","","0.0638","0.0728","","","","","","1.036","","","","has coordinates","190095","2020-10-21","18:00:00",""
"7226869","10.6087","0.0004","14.778","0.0007","15.9432","0.0008","98.559","0.004","106.58","0.004","104.976","0.004","2246.3","0.2","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C90 H86 Cu9 N14 O32 -","- C90 H86 Cu9 N14 O32 -","- C90 H86 Cu9 N14 O32 -","1","0.5","","Jiao, Chengli; Jiang, Xia; Chu, Hailiang; Jiang, Heqing; Sun, Lixian","A mixed-valent CuI/CuII metal‒organic framework with selective chemical sensing properties","CrystEngComm","2016","18","44","8683","","10.1039/C6CE01827K","","","1.54184","CuKα","","0.067","0.0566","","","0.1507","0.1626","","","","","","1.039","","","","has coordinates","190089","2020-10-21","18:00:00",""
"7226870","12.006801","0.000054","12.006801","0.000054","12.006801","0.000054","90","","90","","90","","1730.94","0.013","300","","300","","","","","","","","","6","I a -3 d","-I 4bd 2c 3","230","","","","- Al32 Ba8 Ce0.32 O96 Si8 Y15.68 -","- Al32 Ba8 Ce0.32 O96 Si8 Y15.68 -","- Al32 Ba8 Ce0.32 O96 Si8 Y15.68 -","1","0.0104167","","Haipeng Ji; Le Wang; Yujin Cho; Naoto Hirosaki; Maxim Molokeev; Zhiguo Xia; Zhaohui Huang; Rong-Jun Xie","New Y2BaAl4SiO12:Ce3+ yellow microcrystal-glass powder phosphor with high thermal emission stability","Journal of Materials Chemistry C","2016","4","0","9872","9878","10.1039/C6TC03422E","powder diffraction","x-ray","1.5406","CuKα~1~~2~","","","","","","","","","3.38","1.287","","","","","","","has coordinates","205493","2020-10-21","18:00:00",""
"7226871","16.2974","0.0015","12.0853","0.0011","21.305","0.002","90","","93.339","0.003","90","","4189.1","0.7","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C21 H24 Cl2 Cu N3 O0.5 -","- C21 H24 Cl2 Cu N3 O0.5 -","- C168 H192 Cl16 Cu8 N24 O4 -","8","2","","Chakravarty, Akhil R.; Bhattacharyya, Arnab; Dixit, Akanksha; Banerjee, Samya; Roy, Bijan; Kumar, Arun; Karande, Anjali A.","BODIPY appended copper(II) complexes for cellular imaging and singlet oxygen mediated anticancer activity in visible light","RSC Adv.","2016","","","","","10.1039/C6RA23118G","","","0.71073","MoKα","","0.0943","0.0505","","","0.1025","0.1178","","","","","","1.021","","","","has coordinates","192220","2020-10-21","18:00:00",""
"7226872","27.601","0.01","10.773","0.004","7.699","0.003","90","","90","","90","","2289.3","1.5","100","2","100","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C25 H19 F3 N2 O5 S -","- C25 H19 F3 N2 O5 S -","- C100 H76 F12 N8 O20 S4 -","4","1","","Emenike, Bright U.; Bey, Sara N.; Spinelle, Ronald A.; Jones, Jacob T.; Yoo, Barney; Zeller, Matthias","Cationic CHπ interactions as a function of solvation.","Physical chemistry chemical physics : PCCP","2016","18","45","30940","30945","10.1039/c6cp06800f","","","0.71073","MoKα","","0.0589","0.0389","","","0.0821","0.0912","","","","","","1.03","","","","has coordinates,has disorder","190284","2020-10-21","18:00:00",""
"7226873","10.4808","0.0012","9.5955","0.0008","22.932","0.002","90","","93.828","0.005","90","","2301.1","0.4","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C26 H24 Cu N2 O4 -","- C26 H24 Cu N2 O4 -","- C104 H96 Cu4 N8 O16 -","4","1","","Balakrishnan, C.; NATARAJAN, SATHEESH; Neelakantan, M. A.","Exploration of Biological Activities of Alkyne Arms containing Cu(II) and Ni(II) Complexes: Syntheses, Crystal Structures and DFT Calculations","RSC Adv.","2016","","","","","10.1039/C6RA20650F","","","0.71073","MoKα","","0.096","0.0483","","","0.1318","0.1675","","","","","","1.007","","","","has coordinates","187503","2020-10-21","18:00:00",""
"7226874","7.8251","0.0005","19.6656","0.0013","14.6693","0.0011","90","","100.416","0.003","90","","2220.2","0.3","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C26 H24 N2 Ni O4 -","- C26 H24 N2 Ni O4 -","- C104 H96 N8 Ni4 O16 -","4","1","","Balakrishnan, C.; NATARAJAN, SATHEESH; Neelakantan, M. A.","Exploration of Biological Activities of Alkyne Arms containing Cu(II) and Ni(II) Complexes: Syntheses, Crystal Structures and DFT Calculations","RSC Adv.","2016","","","","","10.1039/C6RA20650F","","","0.71073","MoKα","","0.0686","0.0427","","","0.1153","0.1387","","","","","","1.084","","","","has coordinates","187503","2020-10-21","18:00:00",""
"7226875","16.7513","0.0015","18.1923","0.0017","12.0258","0.0011","90","","123.87","0.001","90","","3042.9","0.5","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C30 H22 Mg2 N4 O10 -","- C30 H22 Mg2 N4 O10 -","- C120 H88 Mg8 N16 O40 -","4","0.5","","Xu, Jin; Yu, Yang; Li, Guanghua; Wang, Shanshan; Liu, Yongxin; Liu, Dan; Wang, Cheng","A Porous Magnesium Metal‒Organic Framework Showing Selective Adsorption and Separation of Nitrile Guest Molecules","RSC Adv.","2016","","","","","10.1039/C6RA16784E","","","0.71073","MoKα","","0.0727","0.0516","","","0.1358","0.1494","","","","","","1.058","","","","has coordinates","187504","2020-10-21","18:00:00",""
"7226876","17.655","0.004","17.638","0.004","12.956","0.003","90","","127.421","0.004","90","","3204.2","1.3","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C32 H22 Mg2 N4 O10 -","- C32 H22 Mg2 N4 O10 -","- C128 H88 Mg8 N16 O40 -","4","0.5","","Xu, Jin; Yu, Yang; Li, Guanghua; Wang, Shanshan; Liu, Yongxin; Liu, Dan; Wang, Cheng","A Porous Magnesium Metal‒Organic Framework Showing Selective Adsorption and Separation of Nitrile Guest Molecules","RSC Adv.","2016","","","","","10.1039/C6RA16784E","","","0.71073","MoKα","","0.1294","0.0661","","","0.1745","0.2102","","","","","","1.039","","","","has coordinates","187504","2020-10-21","18:00:00",""
"7226877","18.3066","0.0019","16.979","0.0018","13.8035","0.0015","90","","130.134","0.001","90","","3280.3","0.6","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C34 H26 Mg2 N4 O10 -","- C34 H26 Mg2 N4 O10 -","- C136 H104 Mg8 N16 O40 -","4","0.5","","Xu, Jin; Yu, Yang; Li, Guanghua; Wang, Shanshan; Liu, Yongxin; Liu, Dan; Wang, Cheng","A Porous Magnesium Metal‒Organic Framework Showing Selective Adsorption and Separation of Nitrile Guest Molecules","RSC Adv.","2016","","","","","10.1039/C6RA16784E","","","0.71073","MoKα","","0.0796","0.0562","","","0.1537","0.1731","","","","","","1.053","","","","has coordinates","187504","2020-10-21","18:00:00",""
"7226878","18.1652","0.0013","17.2466","0.0012","13.4921","0.001","90","","129.4","0.001","90","","3266.3","0.4","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C34 H26 Mg2 N4 O10 -","- C34 H26 Mg2 N4 O10 -","- C136 H104 Mg8 N16 O40 -","4","0.5","","Xu, Jin; Yu, Yang; Li, Guanghua; Wang, Shanshan; Liu, Yongxin; Liu, Dan; Wang, Cheng","A Porous Magnesium Metal‒Organic Framework Showing Selective Adsorption and Separation of Nitrile Guest Molecules","RSC Adv.","2016","","","","","10.1039/C6RA16784E","","","0.71073","MoKα","","0.0664","0.0499","","","0.1312","0.1446","","","","","","1.041","","","","has coordinates","187504","2020-10-21","18:00:00",""
"7226879","6.8827","0.001","16.544","0.002","17.51","0.002","90","","90","","90","","1993.8","0.4","188","2","188","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C20 H21 N5 O2 -","- C20 H21 N5 O2 -","- C80 H84 N20 O8 -","4","1","","Khattab, Tawfik A.; Tiu, Brylee David Buada; Adas, Sonya; Bunge, Scott Daniel; Advincula, Rigoberto","Solvatochromic, Thermochromic and pH-Sensory DCDHF-Hydrazone Molecular Switch: Response to Alkaline Analytes","RSC Adv.","2016","","","","","10.1039/C6RA24113A","","","0.71073","MoKα","","0.0882","0.0477","","","0.1193","0.1496","","","","","","0.862","","","","has coordinates","187505","2020-10-21","18:00:00",""
"7226880","7.3821","0.0012","9.844","0.0017","10.9083","0.0018","94.965","0.002","103.154","0.002","109.687","0.002","715.2","0.2","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C16 H18 N2 O3 -","- C16 H18 N2 O3 -","- C32 H36 N4 O6 -","2","1","","Liu, Jin; Yan, Sheng-Jiao; Cao, Zheng-Mao; Cui, Shi-Sheng; Lin, Jun","Synthesis of bicyclic 2-pyridones by regioselective annulations of heterocyclic ketene aminals with anhydride","RSC Adv.","2016","","","","","10.1039/C6RA23451H","","","0.71073","MoKα","","0.0978","0.0633","","","0.1611","0.191","","","","","","1.071","","","","has coordinates","187515","2020-10-21","18:00:00",""
"7226881","30.656","0.003","27.727","0.005","3.7908","0.0004","90","","90","","90","","3222.2","0.7","120","2","120","2","","","","","","","","4","F d d 2","F 2 -2d","43","","","","- C9 H7 N3 O2 -","- C9 H7 N3 O2 -","- C144 H112 N48 O32 -","16","1","","Rahmani, M.; Salimi, A.; Mohammadzadeh, S.; Sparkes, H. A.","The supramolecular effect of aromaticity on the crystal packing of furan/thiophene carboxamide compounds","CrystEngComm","2016","18","46","8953","","10.1039/C6CE01945E","","","0.71073","MoKα","","0.0566","0.0499","","","0.1221","0.1282","","","","","","1.074","","","","has coordinates","190062","2020-10-21","18:00:00",""
"7226882","7.9507","0.0004","11.7608","0.0005","10.1981","0.0004","90","","110.216","0.005","90","","894.85","0.07","120","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C9 H7 N3 O S -","- C9 H7 N3 O S -","- C36 H28 N12 O4 S4 -","4","1","","Rahmani, M.; Salimi, A.; Mohammadzadeh, S.; Sparkes, H. A.","The supramolecular effect of aromaticity on the crystal packing of furan/thiophene carboxamide compounds","CrystEngComm","2016","18","46","8953","","10.1039/C6CE01945E","","","0.71073","MoKα","","0.0339","0.0312","","","0.0771","0.0787","","","","","","1.075","","","","has coordinates","190062","2020-10-21","18:00:00",""
"7226889","8.4892","0.0006","17.7731","0.0015","9.0884","0.0007","90","","107.345","0.008","90","","1308.9","0.18","150","2","150","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C19 H13 N -","- C19 H13 N -","- C76 H52 N4 -","4","1","","Senadi, Gopal Chandru; Dhandabani, Ganesh Kumar; Hu, Wan-Ping; Wang, Jeh-Jeng","Metal-free annulation/aerobic oxidative dehydrogenation of cyclohexanones with o-acylanilines: efficient syntheses of acridines","Green Chem.","2016","18","23","6241","","10.1039/C6GC02396G","","x-ray","0.71073","MoKα","","0.1114","0.0639","","","0.1252","0.1479","","","","","","1.012","","","","has coordinates","190224","2020-10-21","18:00:00",""
"7226890","7.5233","0.0011","9.2661","0.0015","11.5013","0.0015","109.068","0.014","96.475","0.012","105.036","0.013","714.5","0.2","297","2","297","2","","","","","","","","4","P -1","-P 1","2","","","","- C19 H12 Cl N -","- C19 H12 Cl N -","- C38 H24 Cl2 N2 -","2","1","","Senadi, Gopal Chandru; Dhandabani, Ganesh Kumar; Hu, Wan-Ping; Wang, Jeh-Jeng","Metal-free annulation/aerobic oxidative dehydrogenation of cyclohexanones with o-acylanilines: efficient syntheses of acridines","Green Chem.","2016","18","23","6241","","10.1039/C6GC02396G","","x-ray","0.71073","MoKα","","0.2208","0.0807","","","0.1897","0.2825","","","","","","0.984","","","","has coordinates","190224","2020-10-21","18:00:00",""
"7226891","9.0735","0.0009","9.1093","0.001","9.1688","0.0009","71.085","0.003","75.202","0.003","85.168","0.004","693.13","0.12","150","2","150","2","","","","","","","","3","P -1","-P 1","2","","","","- C19 H17 N -","- C19 H17 N -","- C38 H34 N2 -","2","1","","Senadi, Gopal Chandru; Dhandabani, Ganesh Kumar; Hu, Wan-Ping; Wang, Jeh-Jeng","Metal-free annulation/aerobic oxidative dehydrogenation of cyclohexanones with o-acylanilines: efficient syntheses of acridines","Green Chem.","2016","18","23","6241","","10.1039/C6GC02396G","","x-ray","0.71073","MoKα","","0.107","0.0689","","","0.1792","0.209","","","","","","1.029","","","","has coordinates","190224","2020-10-21","18:00:00",""
"7226892","8.2767","0.0007","8.6984","0.0006","11.4987","0.0009","110.318","0.002","90.656","0.003","115.299","0.003","689.29","0.1","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C19 H15 N O -","- C19 H15 N O -","- C38 H30 N2 O2 -","2","1","","Senadi, Gopal Chandru; Dhandabani, Ganesh Kumar; Hu, Wan-Ping; Wang, Jeh-Jeng","Metal-free annulation/aerobic oxidative dehydrogenation of cyclohexanones with o-acylanilines: efficient syntheses of acridines","Green Chem.","2016","18","23","6241","","10.1039/C6GC02396G","","x-ray","0.71073","MoKα","","0.0619","0.0533","","","0.1515","0.1625","","","","","","1.021","","","","has coordinates","190224","2020-10-21","18:00:00",""
"7226893","8.296","0.003","10.559","0.004","22.575","0.008","87.07","0.018","89.387","0.016","82.151","0.019","1956.4","1.2","193","2","193","2","","","","","","","","5","P -1","-P 1","2","","","","- C40 H55 N O11 S -","- C40 H55 N O11 S -","- C80 H110 N2 O22 S2 -","2","1","","Soulié, Marine; Carayon, Chantal; Saffon, Nathalie; Blanc, Sylvie; Fery-Forgues, Suzanne","A comparative study of nine berberine salts in the solid state: optimization of the photoluminescence and self-association properties through the choice of the anion.","Physical chemistry chemical physics : PCCP","2016","18","43","29999","30008","10.1039/c6cp05848e","","","0.71073","MoKα","","0.2252","0.0885","","","0.2031","0.272","","","","","","1","","","","has coordinates,has disorder","188314","2020-10-21","18:00:00",""
"7226894","7.1974","0.0005","12.5766","0.001","14.1544","0.0011","78.981","0.005","87.111","0.005","83.558","0.005","1249.13","0.17","193","2","193","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H29 N O8 S -","- C28 H29 N O8 S -","- C56 H58 N2 O16 S2 -","2","1","","Soulié, Marine; Carayon, Chantal; Saffon, Nathalie; Blanc, Sylvie; Fery-Forgues, Suzanne","A comparative study of nine berberine salts in the solid state: optimization of the photoluminescence and self-association properties through the choice of the anion.","Physical chemistry chemical physics : PCCP","2016","18","43","29999","30008","10.1039/c6cp05848e","","","0.71073","MoKα","","0.0698","0.0449","","","0.1072","0.1204","","","","","","1.032","","","","has coordinates","188314","2020-10-21","18:00:00",""
"7226895","13.2946","0.0012","11.5487","0.001","22.664","0.002","90","","101.108","0.005","90","","3414.5","0.5","193","2","193","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C44 H38 B N O4 -","- C44 H38 B N O4 -","- C176 H152 B4 N4 O16 -","4","1","","Soulié, Marine; Carayon, Chantal; Saffon, Nathalie; Blanc, Sylvie; Fery-Forgues, Suzanne","A comparative study of nine berberine salts in the solid state: optimization of the photoluminescence and self-association properties through the choice of the anion.","Physical chemistry chemical physics : PCCP","2016","18","43","29999","30008","10.1039/c6cp05848e","","","0.71073","MoKα","","0.096","0.0492","","","0.1042","0.1235","","","","","","1.027","","","","has coordinates,has disorder","188314","2020-10-21","18:00:00",""
"7226896","11.301","0.0005","6.6661","0.0003","43.6661","0.0019","90","","96.49","0.003","90","","3268.4","0.3","193","2","193","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C32 H49 N O10 -","- C32 H49 N O10 -","- C128 H196 N4 O40 -","4","1","","Soulié, Marine; Carayon, Chantal; Saffon, Nathalie; Blanc, Sylvie; Fery-Forgues, Suzanne","A comparative study of nine berberine salts in the solid state: optimization of the photoluminescence and self-association properties through the choice of the anion.","Physical chemistry chemical physics : PCCP","2016","18","43","29999","30008","10.1039/c6cp05848e","","","0.71073","MoKα","","0.1765","0.0565","","","0.1089","0.133","","","","","","0.838","","","","has coordinates,has disorder","188314","2020-10-21","18:00:00",""
"7226897","43.206","0.009","7.075","0.0016","22.126","0.005","90","","111.687","0.012","90","","6285","2","193","2","193","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C32 H44 N O8.5 S -","- C32 H44 N O8.5 S -","- C256 H352 N8 O68 S8 -","8","1","","Soulié, Marine; Carayon, Chantal; Saffon, Nathalie; Blanc, Sylvie; Fery-Forgues, Suzanne","A comparative study of nine berberine salts in the solid state: optimization of the photoluminescence and self-association properties through the choice of the anion.","Physical chemistry chemical physics : PCCP","2016","18","43","29999","30008","10.1039/c6cp05848e","","","0.71073","MoKα","","0.2102","0.091","","","0.2005","0.2611","","","","","","1.03","","","","has coordinates,has disorder","188314","2020-10-21","18:00:00",""
"7226898","7.9779","0.0004","14.2778","0.0007","21.8106","0.0011","86.203","0.002","80.015","0.002","89.901","0.002","2441.3","0.2","193","2","193","2","","","","","","","","6","P -1","-P 1","2","","","","- C22 H18 F6 N2 O8 S2 -","- C22 H18 F6 N2 O8 S2 -","- C88 H72 F24 N8 O32 S8 -","4","2","","Soulié, Marine; Carayon, Chantal; Saffon, Nathalie; Blanc, Sylvie; Fery-Forgues, Suzanne","A comparative study of nine berberine salts in the solid state: optimization of the photoluminescence and self-association properties through the choice of the anion.","Physical chemistry chemical physics : PCCP","2016","18","43","29999","30008","10.1039/c6cp05848e","","","0.71073","MoKα","","0.051","0.0417","","","0.1094","0.116","","","","","","1.018","","","","has coordinates","188314","2020-10-21","18:00:00",""
"7226899","30.0058","0.0013","21.244","0.0009","19.5943","0.0009","90","","93.87","0.001","90","","12461.8","0.9","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C42 H37 Eu2 N4 O16 -","- C42 H37 Eu2 N4 O16 -","- C336 H296 Eu16 N32 O128 -","8","1","","Rong, Jiewei; Zhang, Wen-Wei; Bai, Junfeng","Syntheses, structures, color tunable and white‒light emitting lanthanide metal‒organic framework materials constructed from conjugated 1, 1'-butadiynebenzene-3, 3', 5, 5'-tetracarboxylate ligand","RSC Adv.","2016","","","","","10.1039/C6RA22001K","","","0.71073","MoKα","","0.0858","0.0595","","","0.1998","0.2174","","","","","","1.07","","","","has coordinates,has disorder","187549","2020-10-21","18:00:00",""
"7226900","29.9342","0.0011","21.16","0.0007","19.5148","0.0007","90","","93.935","0.001","90","","12331.7","0.8","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C42 H37 N4 O16 Tb2 -","- C42 H37 N4 O16 Tb2 -","- C336 H296 N32 O128 Tb16 -","8","1","","Rong, Jiewei; Zhang, Wen-Wei; Bai, Junfeng","Syntheses, structures, color tunable and white‒light emitting lanthanide metal‒organic framework materials constructed from conjugated 1, 1'-butadiynebenzene-3, 3', 5, 5'-tetracarboxylate ligand","RSC Adv.","2016","","","","","10.1039/C6RA22001K","","","0.71073","MoKα","","0.0585","0.0508","","","0.1564","0.1646","","","","","","1.033","","","","has coordinates,has disorder","187549","2020-10-21","18:00:00",""
"7226901","29.9537","0.0012","21.1398","0.0009","19.4385","0.0008","90","","93.98","0.001","90","","12279.1","0.9","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C42 H37 Dy2 N4 O16 -","- C42 H37 Dy2 N4 O16 -","- C336 H296 Dy16 N32 O128 -","8","1","","Rong, Jiewei; Zhang, Wen-Wei; Bai, Junfeng","Syntheses, structures, color tunable and white‒light emitting lanthanide metal‒organic framework materials constructed from conjugated 1, 1'-butadiynebenzene-3, 3', 5, 5'-tetracarboxylate ligand","RSC Adv.","2016","","","","","10.1039/C6RA22001K","","","0.71073","MoKα","","0.0964","0.0684","","","0.214","0.2342","","","","","","1.013","","","","has coordinates","187549","2020-10-21","18:00:00",""
"7226902","29.9258","0.001","21.0418","0.0007","19.4326","0.0006","90","","94","0.001","90","","12206.8","0.7","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C42 H37 Er2 N4 O16 -","- C42 H37 Er2 N4 O16 -","- C336 H296 Er16 N32 O128 -","8","1","","Rong, Jiewei; Zhang, Wen-Wei; Bai, Junfeng","Syntheses, structures, color tunable and white‒light emitting lanthanide metal‒organic framework materials constructed from conjugated 1, 1'-butadiynebenzene-3, 3', 5, 5'-tetracarboxylate ligand","RSC Adv.","2016","","","","","10.1039/C6RA22001K","","","0.71073","MoKα","","0.0913","0.066","","","0.2122","0.2296","","","","","","1.082","","","","has coordinates","187549","2020-10-21","18:00:00",""
"7226903","29.8541","0.001","20.9459","0.0006","19.3789","0.0006","90","","94.071","0.001","90","","12087.5","0.7","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C42 H37 N4 O16 Yb2 -","- C42 H37 N4 O16 Yb2 -","- C336 H296 N32 O128 Yb16 -","8","1","","Rong, Jiewei; Zhang, Wen-Wei; Bai, Junfeng","Syntheses, structures, color tunable and white‒light emitting lanthanide metal‒organic framework materials constructed from conjugated 1, 1'-butadiynebenzene-3, 3', 5, 5'-tetracarboxylate ligand","RSC Adv.","2016","","","","","10.1039/C6RA22001K","","","0.71073","MoKα","","0.0821","0.0618","","","0.1951","0.2084","","","","","","1.099","","","","has coordinates,has disorder","187549","2020-10-21","18:00:00",""
"7226910","13.066","0.005","19.265","0.005","20.892","0.005","97.447","0.005","101.774","0.005","99.064","0.005","5012","3","298","2","298.15","","","","","","","","","8","P -1","-P 1","2","","","","- Cr Cs5 H24 K2 O90 Si2 Ta6 W18 -","- Cr Cs5 K2 O83 Si2 Ta6 W18 -","- Cr2 Cs10 K4 O166 Si4 Ta12 W36 -","2","1","","Huang, Peng; Han, Xi-Guang; Li, Xiu-Ling; Qin, Chao; Wang, Xin-Long; Su, Zhong-Min","Self-assembly and photocatalytic properties of Ta/W mixed-addendum polyoxometalate and transition-metal cations","CrystEngComm","2016","18","45","8722","","10.1039/C6CE01953F","","","0.71069","MoKα","","0.0978","0.079","","","0.2087","0.2226","","","","","","0.971","","","","has coordinates","190080","2020-10-21","18:00:00",""
"7226911","34.419","0.005","16.271","0.005","21.596","0.005","90","0.005","114.928","0.005","90","0.005","10968","5","298","2","298.15","","","","","","","","","9","C 1 2/m 1","-C 2y","12","","","","- Cl2 Cs3 Fe H36 K4 O95 Si2 Ta6 W18 -","- Cl2 Cs4 Fe K4 O93 Si2 Ta6 W18 -","- Cl8 Cs16 Fe4 K16 O372 Si8 Ta24 W72 -","4","0.5","","Huang, Peng; Han, Xi-Guang; Li, Xiu-Ling; Qin, Chao; Wang, Xin-Long; Su, Zhong-Min","Self-assembly and photocatalytic properties of Ta/W mixed-addendum polyoxometalate and transition-metal cations","CrystEngComm","2016","18","45","8722","","10.1039/C6CE01953F","","","0.71069","MoKα","","0.0743","0.049","","","0.1242","0.1399","","","","","","1.02","","","","has coordinates","190080","2020-10-21","18:00:00",""
"7226912","31.07","0.04","10.5077","0.0013","8.559","0.0009","90","","90","","90","","2794","4","299","2","299","2","500000","","500000","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C19 H18 O -","- C19 H18 O -","- C152 H144 O8 -","8","1","","Bąkowicz, J.; Turowska-Tyrk, I.","Structural transformations in crystals induced by radiation and pressure. Part 4. The complex influence of high pressure on the path and kinetics of the [2 + 2] photodimerization","CrystEngComm","2016","18","46","8898","","10.1039/C6CE01650B","","","0.71073","MoKα","","0.2111","0.1183","","","0.3153","0.3792","","","","","","1.093","","","","has coordinates,has disorder","190063","2020-10-21","18:00:00",""
"7226913","31.16","0.06","10.4812","0.0019","8.5557","0.0014","90","","90","","90","","2794","5","299","2","299","2","500000","","500000","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C19 H18 O -","- C19 H18 O -","- C152 H144 O8 -","8","1","","Bąkowicz, J.; Turowska-Tyrk, I.","Structural transformations in crystals induced by radiation and pressure. Part 4. The complex influence of high pressure on the path and kinetics of the [2 + 2] photodimerization","CrystEngComm","2016","18","46","8898","","10.1039/C6CE01650B","","","0.71073","MoKα","","0.2434","0.1371","","","0.3601","0.4245","","","","","","1.316","","","","has coordinates,has disorder","190063","2020-10-21","18:00:00",""
"7226914","31.05","0.05","10.491","0.0016","8.5775","0.0013","90","","90","","90","","2794","5","299","2","299","2","500000","","500000","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C19 H18 O -","- C19 H18 O -","- C152 H144 O8 -","8","1","","Bąkowicz, J.; Turowska-Tyrk, I.","Structural transformations in crystals induced by radiation and pressure. Part 4. The complex influence of high pressure on the path and kinetics of the [2 + 2] photodimerization","CrystEngComm","2016","18","46","8898","","10.1039/C6CE01650B","","","0.71073","MoKα","","0.2364","0.1329","","","0.3763","0.4351","","","","","","1.356","","","","has coordinates,has disorder","190063","2020-10-21","18:00:00",""
"7226915","31.05","0.05","10.491","0.0016","8.5625","0.0013","90","","90","","90","","2789","5","299","2","299","2","500000","","500000","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C19 H18 O -","- C19 H18 O -","- C152 H144 O8 -","8","1","","Bąkowicz, J.; Turowska-Tyrk, I.","Structural transformations in crystals induced by radiation and pressure. Part 4. The complex influence of high pressure on the path and kinetics of the [2 + 2] photodimerization","CrystEngComm","2016","18","46","8898","","10.1039/C6CE01650B","","","0.71073","MoKα","","0.2683","0.1456","","","0.3814","0.4502","","","","","","1.411","","","","has coordinates,has disorder","190063","2020-10-21","18:00:00",""
"7226916","30.99","0.03","10.5162","0.0012","8.5388","0.0009","90","","90","","90","","2783","3","299","2","299","2","500000","","500000","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C19 H18 O -","- C19 H18 O -","- C152 H144 O8 -","8","1","","Bąkowicz, J.; Turowska-Tyrk, I.","Structural transformations in crystals induced by radiation and pressure. Part 4. The complex influence of high pressure on the path and kinetics of the [2 + 2] photodimerization","CrystEngComm","2016","18","46","8898","","10.1039/C6CE01650B","","","0.71073","MoKα","","0.2247","0.1203","","","0.3024","0.3732","","","","","","1.054","","","","has coordinates,has disorder","190063","2020-10-21","18:00:00",""
"7226917","30.83","0.03","10.5572","0.0011","8.5066","0.0009","90","","90","","90","","2769","3","299","2","299","2","500000","","500000","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C19 H18 O -","- C19 H18 O -","- C152 H144 O8 -","8","1","","Bąkowicz, J.; Turowska-Tyrk, I.","Structural transformations in crystals induced by radiation and pressure. Part 4. The complex influence of high pressure on the path and kinetics of the [2 + 2] photodimerization","CrystEngComm","2016","18","46","8898","","10.1039/C6CE01650B","","","0.71073","MoKα","","0.1812","0.1032","","","0.2518","0.3041","","","","","","1.037","","","","has coordinates","190063","2020-10-21","18:00:00",""
"7226918","30.88","0.04","10.2558","0.0009","8.4545","0.0009","90","","90","","90","","2678","3","299","2","299","2","1000000","","1200000","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C19 H18 O -","- C19 H18 O -","- C152 H144 O8 -","8","1","","Bąkowicz, J.; Turowska-Tyrk, I.","Structural transformations in crystals induced by radiation and pressure. Part 4. The complex influence of high pressure on the path and kinetics of the [2 + 2] photodimerization","CrystEngComm","2016","18","46","8898","","10.1039/C6CE01650B","","","0.71073","MoKα","","0.1557","0.0886","","","0.2595","0.2959","","","","","","1.106","","","","has coordinates,has disorder","190063","2020-10-21","18:00:00",""
"7226919","30.68","0.03","10.3153","0.0007","8.3651","0.0006","90","","90","","90","","2647","3","299","2","299","2","1000000","","1200000","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C19 H18 O -","- C19 H18 O -","- C152 H144 O8 -","8","1","","Bąkowicz, J.; Turowska-Tyrk, I.","Structural transformations in crystals induced by radiation and pressure. Part 4. The complex influence of high pressure on the path and kinetics of the [2 + 2] photodimerization","CrystEngComm","2016","18","46","8898","","10.1039/C6CE01650B","","","0.71073","MoKα","","0.1099","0.0662","","","0.1734","0.2017","","","","","","1.063","","","","has coordinates","190063","2020-10-21","18:00:00",""
"7226920","30.37","0.03","10.2318","0.0012","8.3984","0.0009","90","","90","","90","","2610","3","299","2","299","2","1200000","","1200000","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C19 H18 O -","- C19 H18 O -","- C152 H144 O8 -","8","1","","Bąkowicz, J.; Turowska-Tyrk, I.","Structural transformations in crystals induced by radiation and pressure. Part 4. The complex influence of high pressure on the path and kinetics of the [2 + 2] photodimerization","CrystEngComm","2016","18","46","8898","","10.1039/C6CE01650B","","","0.71073","MoKα","","0.1957","0.0923","","","0.2315","0.2998","","","","","","1.049","","","","has coordinates,has disorder","190063","2020-10-21","18:00:00",""
"7226921","30.46","0.03","10.2338","0.001","8.3341","0.0009","90","","90","","90","","2598","3","299","2","299","2","1200000","","1200000","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C19 H18 O -","- C19 H18 O -","- C152 H144 O8 -","8","1","","Bąkowicz, J.; Turowska-Tyrk, I.","Structural transformations in crystals induced by radiation and pressure. Part 4. The complex influence of high pressure on the path and kinetics of the [2 + 2] photodimerization","CrystEngComm","2016","18","46","8898","","10.1039/C6CE01650B","","","0.71073","MoKα","","0.182","0.1028","","","0.2758","0.3321","","","","","","1.075","","","","has coordinates","190063","2020-10-21","18:00:00",""
"7226922","30.934","0.002","10.379","0.003","8.5247","0.0012","90","","90","","90","","2737","0.9","299","2","299","2","700000","","700000","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C19 H18 O -","- C19 H18 O -","- C152 H144 O8 -","8","1","","Bąkowicz, J.; Turowska-Tyrk, I.","Structural transformations in crystals induced by radiation and pressure. Part 4. The complex influence of high pressure on the path and kinetics of the [2 + 2] photodimerization","CrystEngComm","2016","18","46","8898","","10.1039/C6CE01650B","","","0.71073","MoKα","","0.1657","0.0852","","","0.1963","0.2429","","","","","","1.036","","","","has coordinates,has disorder","190063","2020-10-21","18:00:00",""
"7226923","30.841","0.002","10.374","0.003","8.5367","0.0013","90","","90","","90","","2731.3","0.9","299","2","299","2","700000","","700000","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C19 H18 O -","- C19 H18 O -","- C152 H144 O8 -","8","1","","Bąkowicz, J.; Turowska-Tyrk, I.","Structural transformations in crystals induced by radiation and pressure. Part 4. The complex influence of high pressure on the path and kinetics of the [2 + 2] photodimerization","CrystEngComm","2016","18","46","8898","","10.1039/C6CE01650B","","","0.71073","MoKα","","0.2251","0.1224","","","0.301","0.3602","","","","","","1.061","","","","has coordinates,has disorder","190063","2020-10-21","18:00:00",""
"7226924","7.8304","0.0009","15.1834","0.0018","12.9152","0.0015","90","","103.176","0.005","90","","1495.1","0.3","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Mp-p1B-H5 F5-I-benzene, [1,2,3]Triazolo[1,5-a]quinoline","","- C16 H7 F5 I N3 -","- C16 H7 F5 I N3 -","- C64 H28 F20 I4 N12 -","4","1","","Perera, M. D.; Desper, J.; Sinha, A. S.; Aakeröy, C. B.","Impact and importance of electrostatic potential calculations for predicting structural patterns of hydrogen and halogen bonding","CrystEngComm","2016","18","44","8631","","10.1039/C6CE02089E","","","0.71073","MoKα","","0.035","0.0265","","","0.0604","0.0651","","","","","","1.055","","","","has coordinates","190088","2020-10-21","18:00:00",""
"7226925","6.6906","0.0014","9.568","0.002","10.618","0.002","64.954","0.006","79.728","0.005","87.328","0.005","605.6","0.2","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","Mp-p1b-Hb7 1,4-diiodotetrafluorobenzene, ([1,2,3]Triazolo[1,5-a]quinoline)2","","- C26 H14 F4 I2 N6 -","- C26 H14 F4 I2 N6 -","- C26 H14 F4 I2 N6 -","1","0.5","","Perera, M. D.; Desper, J.; Sinha, A. S.; Aakeröy, C. B.","Impact and importance of electrostatic potential calculations for predicting structural patterns of hydrogen and halogen bonding","CrystEngComm","2016","18","44","8631","","10.1039/C6CE02089E","","","0.71073","MoKα","","0.0188","0.0181","","","0.0457","0.0464","","","","","","1.105","","","","has coordinates","190088","2020-10-21","18:00:00",""
"7226926","6.9843","0.0006","25.501","0.002","6.8129","0.0006","90","","108.111","0.004","90","","1153.3","0.17","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Mp-p1b-H11 {[1,2,3]Triazolo[1,5-a]quinoline}2, HOOC-(CH2)4-COOH","","- C26 H24 N6 O4 -","- C26 H24 N6 O4 -","- C52 H48 N12 O8 -","2","0.5","","Perera, M. D.; Desper, J.; Sinha, A. S.; Aakeröy, C. B.","Impact and importance of electrostatic potential calculations for predicting structural patterns of hydrogen and halogen bonding","CrystEngComm","2016","18","44","8631","","10.1039/C6CE02089E","","","0.71073","MoKα","","0.0642","0.0477","","","0.1181","0.1309","","","","","","1.097","","","","has coordinates","190088","2020-10-21","18:00:00",""
"7226927","10.9465","0.001","8.6731","0.0008","50.527","0.005","90","","93.861","0.004","90","","4786.2","0.8","120","2","120","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","Mp-p1b-H10 [1,2,3]Triazolo[1,5-a]quinoline","","- C10 H7 N3 -","- C10 H7 N3 -","- C240 H168 N72 -","24","3","","Perera, M. D.; Desper, J.; Sinha, A. S.; Aakeröy, C. B.","Impact and importance of electrostatic potential calculations for predicting structural patterns of hydrogen and halogen bonding","CrystEngComm","2016","18","44","8631","","10.1039/C6CE02089E","","","0.71073","MoKα","","0.1308","0.0697","","","0.1808","0.2101","","","","","","1.065","","","","has coordinates","190088","2020-10-21","18:00:00",""
"7226928","6.3976","0.0015","20.616","0.005","10.876","0.003","90","","98.126","0.009","90","","1420.1","0.6","120","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Mp-p1b-H21 [1,2,3]Triazolo[1,5-a]quinoline, 2-F-PhCOOH","","- C17 H12 F N3 O2 -","- C17 H12 F N3 O2 -","- C68 H48 F4 N12 O8 -","4","1","","Perera, M. D.; Desper, J.; Sinha, A. S.; Aakeröy, C. B.","Impact and importance of electrostatic potential calculations for predicting structural patterns of hydrogen and halogen bonding","CrystEngComm","2016","18","44","8631","","10.1039/C6CE02089E","","","0.71073","MoKα","","0.071","0.0504","","","0.1288","0.1439","","","","","","1.104","","","","has coordinates,has disorder","190088","2020-10-21","18:00:00",""
"7226929","28.065","0.011","36.966","0.014","4.2708","0.0016","90","","90","","90","","4431","3","120","2","120","2","","","","","","","","4","F d d 2","F 2 -2d","43","","Mp-p1b-H15 {[1,2,3]Triazolo[1,5-a]quinoline}2, HOOC-(CH2)3-COOH","","- C25 H22 N6 O4 -","- C25 H22 N6 O4 -","- C200 H176 N48 O32 -","8","0.5","","Perera, M. D.; Desper, J.; Sinha, A. S.; Aakeröy, C. B.","Impact and importance of electrostatic potential calculations for predicting structural patterns of hydrogen and halogen bonding","CrystEngComm","2016","18","44","8631","","10.1039/C6CE02089E","","","0.71073","MoKα","","0.0899","0.0533","","","0.1095","0.126","","","","","","0.986","","","","has coordinates","190088","2020-10-21","18:00:00",""
"7226930","6.658","0.0008","9.8155","0.0011","10.4663","0.0013","65.256","0.004","79.993","0.004","84.833","0.004","611.63","0.13","120","2","120","2","","","","","","","","6","P 1","P 1","1","","Mp-p1b-H24 {[1,2,3]Triazolo[1,5-a]quinoline}2, 4-I-F4-PhCOOH","","- C27 H15 F4 I N6 O2 -","- C27 H15 F4 I N6 O2 -","- C27 H15 F4 I N6 O2 -","1","1","","Perera, M. D.; Desper, J.; Sinha, A. S.; Aakeröy, C. B.","Impact and importance of electrostatic potential calculations for predicting structural patterns of hydrogen and halogen bonding","CrystEngComm","2016","18","44","8631","","10.1039/C6CE02089E","","","0.71073","MoKα","","0.026","0.0257","","","0.0629","0.0633","","","","","","1.031","","","","has coordinates,has disorder","190088","2020-10-21","18:00:00",""
"7226931","9.3698","0.0006","13.7351","0.0009","12.2408","0.0008","90","","90.6496","0.0015","90","","1575.23","0.18","120","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Mp-p1b-H29 [1,2,3]Triazolo[1,5-a]pyridine, 1,3,5-F3-2,4,6-I3-benzene","","- C12 H5 F3 I3 N3 -","- C12 H5 F3 I3 N3 -","- C48 H20 F12 I12 N12 -","4","1","","Perera, M. D.; Desper, J.; Sinha, A. S.; Aakeröy, C. B.","Impact and importance of electrostatic potential calculations for predicting structural patterns of hydrogen and halogen bonding","CrystEngComm","2016","18","44","8631","","10.1039/C6CE02089E","","","0.71073","MoKα","","0.0335","0.0288","","","0.0585","0.0598","","","","","","1.21","","","","has coordinates","190088","2020-10-21","18:00:00",""
"7226932","8.1237","0.0017","7.1542","0.0015","12.318","0.003","90","","92.502","0.007","90","","715.2","0.3","120","2","120","2","","","","","","","","5","P 1 21 1","P 2yb","4","","Mp-p1b-H28 [1,2,3]triazolo[1,5-a]pyridine, 1,2-diiodotetrafluorobenzene","","- C12 H5 F4 I2 N3 -","- C12 H5 F4 I2 N3 -","- C24 H10 F8 I4 N6 -","2","1","","Perera, M. D.; Desper, J.; Sinha, A. S.; Aakeröy, C. B.","Impact and importance of electrostatic potential calculations for predicting structural patterns of hydrogen and halogen bonding","CrystEngComm","2016","18","44","8631","","10.1039/C6CE02089E","","","0.71073","MoKα","","0.0187","0.018","","","0.0499","0.0502","","","","","","1.113","","","","has coordinates","190088","2020-10-21","18:00:00",""
"7226933","11.3897","0.0016","8.3907","0.0012","26.863","0.003","90","","100.495","0.012","90","","2524.3","0.6","293","2","293.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C27 H24 N4 O5 S -","- C27 H24 N4 O5 S -","- C108 H96 N16 O20 S4 -","4","1","","Chen, Dianpeng; Xing, Gangdong; Yao, Jinzhong; Zhou, Hongwei","Construction of Highly Functionalized Naphthalenes Using in situ Ene−Allene Strategy","RSC Adv.","2016","","","","","10.1039/C6RA21889J","","","0.71073","MoKα","","0.0875","0.0467","","","0.1007","0.1208","","","","","","1.012","","","","has coordinates","187586","2020-10-21","18:00:00",""
"7226934","6.8995","0.0015","8.5875","0.0019","22.797","0.004","90","","98.652","0.007","90","","1335.3","0.5","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C28 H30 N4 O4 Pd S2 -","- C28 H30 N4 O4 Pd S2 -","- C56 H60 N8 O8 Pd2 S4 -","2","0.5","","Sanmartin, Jesus; Gonzalez, Concepcion; Briones-Miguéns, Lucía; Fondo, Matilde; Garcia-Deibe, Ana M.","Degradation of the active species in the catalytic system Pd(OAc)2/NEt3","RSC Adv.","2016","","","","","10.1039/C6RA20886J","","","0.71073","MoKα","","0.1066","0.0692","","","0.1561","0.1794","","","","","","1.042","","","","has coordinates","288574","2023-12-31","01:38:45",""
"7226935","10.046","0.0009","10.9526","0.001","11.2956","0.001","106.357","0.008","108.462","0.008","106.315","0.008","1033.4","0.2","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C27 H26 O -","- C27 H26 O -","- C54 H52 O2 -","2","1","","Saulnier, Steve; Golovanov, Alexander; Vasilyev, Aleksander","A controlled tandem transformation of conjugated enynones with arenes under superelectrophilic activation leading to aryl-substituted dienones and indenes","RSC Adv.","2016","","","","","10.1039/C6RA21965A","","","0.71073","MoKα","","0.0673","0.0489","","","0.1097","0.1223","","","","","","1.029","","","","has coordinates","187588","2020-10-21","18:00:00",""
"7226936","14.5377","0.0009","14.391","0.0008","17.5761","0.0015","90","","106.774","0.008","90","","3520.7","0.4","100","0.1","100","0.1","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C18 H22 N4 O2 -","- C18 H22 N4 O2 -","- C144 H176 N32 O16 -","8","1","","Li, Zhenghua; zhao, yaping; Tian, Guilong; He, Yi; Song, Gonghua; Van Meervelt, Luc; Van der Eycken, Erik V�lery","Synthesis of novel imidazole-based triheterocycles via a domino Ugi/Michael reaction and silver-catalyzed heteroannulation","RSC Adv.","2016","","","","","10.1039/C6RA23180B","","x-ray","0.71073","MoKα","","0.0449","0.0396","","","0.0946","0.0978","","","","","","1.082","","","","has coordinates","187589","2020-10-21","18:00:00",""
"7226937","9.7178","0.0001","16.9875","0.0002","19.0128","0.0002","90","","90","","90","","3138.65","0.06","130","","130","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C34 H44 O11 -","- C34 H44 O11 -","- C136 H176 O44 -","4","1","","Chen, Li-Ping; Wu, Guo-Zhen; Dong, Hong-yuan; Yang, Niao; Zhang, Weidong; Li, Hui-Liang","Lineariifolianoids I-L, four rare sesquiterpene lactone dimers inhibiting NO production from Inula lineariifolia","RSC Adv.","2016","","","","","10.1039/C6RA23092J","","","1.54178","CuKα","","0.0333","0.0322","","","0.083","0.0839","","","","","","1.028","","","","has coordinates","187590","2020-10-21","18:00:00",""
"7226938","8.7671","0.0001","17.4066","0.0003","18.8236","0.0004","90","","90","","90","","2872.58","0.09","130","","130","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C32 H40 O8 -","- C32 H40 O8 -","- C128 H160 O32 -","4","1","","Chen, Li-Ping; Wu, Guo-Zhen; Dong, Hong-yuan; Yang, Niao; Zhang, Weidong; Li, Hui-Liang","Lineariifolianoids I-L, four rare sesquiterpene lactone dimers inhibiting NO production from Inula lineariifolia","RSC Adv.","2016","","","","","10.1039/C6RA23092J","","","1.54178","CuKα","","0.0437","0.0416","","","0.1093","0.1117","","","","","","1.045","","","","has coordinates","187590","2020-10-21","18:00:00",""
"7226939","27.2662","0.0006","11.5396","0.0003","13.9678","0.0003","90","","90","","90","","4394.84","0.18","220","2","220","2","","","","","","","","4","P m n a","-P 2ac 2","53","","","","- C15 H8 Ni0.75 O6.75 -","- C15 H8 Ni0.75 O6.765 -","- C120 H64 Ni6 O54.12 -","8","1","","Zhou, Zhen; Yang, Lu; Wang, Yefei; He, Cheng; liu, tao; Duan, Chunying","Construction of Solvent-dependent Self-assembly Porous Ni(II)-Coordinated Frameworks Effectively Catalysis for Chemical Transformation of CO2","RSC Adv.","2016","","","","","10.1039/C6RA22971A","","","0.71073","MoKα","","0.1003","0.0921","","","0.2896","0.2963","","","","","","1.147","","","","has coordinates","187591","2020-10-21","18:00:00",""
"7226940","26.25","0.0004","26.25","0.0004","11.2436","0.0005","90","","90","","120","","6709.6","0.3","220","2","220","2","","","","","","","","4","P 6/m m m","-P 6 2","191","Ni-2","","","- C3.75 H2.25 Ni0.25 O1.34 -","- C3.75 H2.25 Ni0.25 O1.34167 -","- C90 H54 Ni6 O32.2 -","24","1","","Zhou, Zhen; Yang, Lu; Wang, Yefei; He, Cheng; liu, tao; Duan, Chunying","Construction of Solvent-dependent Self-assembly Porous Ni(II)-Coordinated Frameworks Effectively Catalysis for Chemical Transformation of CO2","RSC Adv.","2016","","","","","10.1039/C6RA22971A","","","0.71073","MoKα","","0.114","0.0983","","","0.3269","0.3359","","","","","","1.047","","","","has coordinates,has disorder","187591","2020-10-21","18:00:00",""
"7226941","18.855","0.002","5.622","0.0004","16.886","0.002","90","","121.342","0.017","90","","1528.8","0.4","295","2","295","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C10 H14 Cu N6 O S2 -","- C10 H14 Cu N6 O S2 -","- C40 H56 Cu4 N24 O4 S8 -","4","0.5","","Świtlicka, A.; Czerwińska, K.; Machura, B.; Penkala, M.; Bieńko, A.; Bieńko, D.; Zierkiewicz, W.","Thiocyanate copper complexes with pyrazole-derived ligands ‒ synthesis, crystal structures, DFT calculations and magnetic properties","CrystEngComm","2016","18","47","9042","","10.1039/C6CE01739H","","","0.71073","MoKα","","0.044","0.0348","","","0.0794","0.0837","","","","","","1.066","","","","has coordinates","190094","2020-10-21","18:00:00",""
"7226942","9.8235","0.0005","10.5552","0.0006","15.0423","0.0006","77.423","0.004","79.796","0.004","63.616","0.006","1357.95","0.14","295","2","295","2","","","","","","","","6","P -1","-P 1","2","","","","- C38 H56 Cu3 N18 O2 S6 -","- C38 H56 Cu3 N18 O2 S6 -","- C38 H56 Cu3 N18 O2 S6 -","1","0.5","","Świtlicka, A.; Czerwińska, K.; Machura, B.; Penkala, M.; Bieńko, A.; Bieńko, D.; Zierkiewicz, W.","Thiocyanate copper complexes with pyrazole-derived ligands ‒ synthesis, crystal structures, DFT calculations and magnetic properties","CrystEngComm","2016","18","47","9042","","10.1039/C6CE01739H","","","0.71073","MoKα","","0.0568","0.0344","","","0.0778","0.0835","","","","","","0.951","","","","has coordinates","190094","2020-10-21","18:00:00",""
"7226943","20.3583","0.0015","7.8165","0.0004","21.6675","0.0017","90","","116.1","0.009","90","","3096.4","0.4","295","2","295","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C25 H32 Cu2 N11 S3 -","- C25 H32 Cu2 N11 S3 -","- C100 H128 Cu8 N44 S12 -","4","1","","Świtlicka, A.; Czerwińska, K.; Machura, B.; Penkala, M.; Bieńko, A.; Bieńko, D.; Zierkiewicz, W.","Thiocyanate copper complexes with pyrazole-derived ligands ‒ synthesis, crystal structures, DFT calculations and magnetic properties","CrystEngComm","2016","18","47","9042","","10.1039/C6CE01739H","","","0.71073","MoKα","","0.0853","0.0503","","","0.1147","0.1293","","","","","","0.983","","","","has coordinates","190094","2020-10-21","18:00:00",""
"7226944","12.7902","0.0007","8.3391","0.0003","15.9931","0.0007","90","","113.001","0.006","90","","1570.19","0.14","295","2","295","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C13 H9 Cu N7 S2 -","- C13 H9 Cu N7 S2 -","- C52 H36 Cu4 N28 S8 -","4","1","","Świtlicka, A.; Czerwińska, K.; Machura, B.; Penkala, M.; Bieńko, A.; Bieńko, D.; Zierkiewicz, W.","Thiocyanate copper complexes with pyrazole-derived ligands ‒ synthesis, crystal structures, DFT calculations and magnetic properties","CrystEngComm","2016","18","47","9042","","10.1039/C6CE01739H","","","0.71073","MoKα","","0.0417","0.0299","","","0.0743","0.0789","","","","","","1.04","","","","has coordinates","190094","2020-10-21","18:00:00",""
"7226945","7.3284","0.0006","22.5119","0.0017","11.7209","0.0009","90","","107.342","0.001","90","","1845.8","0.2","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C9 H6 F3 N9 O15 -","- C9 H6 F3 N9 O15 -","- C36 H24 F12 N36 O60 -","4","1","","Gidaspov, Alexander A.; Bakharev, Vladimir V.; Suponitsky, Kyrill; Nikitin, Valery G.; Sheremetev, Aleksei B.","High-Density Insensitive Energetic Materials: 2,4,6-Tris(2-fluoro-2,2-dinitroethoxy)-1,3,5-triazine","RSC Adv.","2016","","","","","10.1039/C6RA24629J","","","0.71073","MoKα","","0.0836","0.044","","","0.0796","0.0956","","","","","","1.007","","","","has coordinates,has disorder","187616","2020-10-21","18:00:00",""
"7226946","7.4308","0.0004","22.8382","0.0012","11.8801","0.0006","90","","107.593","0.001","90","","1921.83","0.17","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C9 H6 F3 N9 O15 -","- C9 H6 F3 N9 O15 -","- C36 H24 F12 N36 O60 -","4","1","","Gidaspov, Alexander A.; Bakharev, Vladimir V.; Suponitsky, Kyrill; Nikitin, Valery G.; Sheremetev, Aleksei B.","High-Density Insensitive Energetic Materials: 2,4,6-Tris(2-fluoro-2,2-dinitroethoxy)-1,3,5-triazine","RSC Adv.","2016","","","","","10.1039/C6RA24629J","","","0.71073","MoKα","","0.0685","0.0432","","","0.106","0.1224","","","","","","1.036","","","","has coordinates,has disorder","187616","2020-10-21","18:00:00",""
"7226947","7.9476","0.0005","13.7447","0.001","16.6566","0.0013","67.955","0.003","89.956","0.003","83.98","0.003","1675.7","0.2","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C31 H34 Br2 Cl2 N4 Ni Se2 -","- C31 H34 Br2 Cl2 N4 Ni Se2 -","- C62 H68 Br4 Cl4 N8 Ni2 Se4 -","2","1","","Dresch, Lucielle Codeim; de Araújo, Bruno Bercini; CASAGRANDE, OSVALDO DE LAZARO; Stieler, Rafael","A novel class of nickel(II) complexes containing selenium-based bidentate ligands applied in ethylene oligomerization","RSC Adv.","2016","","","","","10.1039/C6RA18987C","","x-ray","0.71073","MoKα","","0.0387","0.0272","","","0.0629","0.0669","","","","","","1.023","","","","has coordinates","211418","2020-10-21","18:00:00",""
"7226948","9.4392","0.0003","12.6456","0.0005","31.178","0.001","90","","90","","90","","3721.5","0.2","298","2","298","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C44 H50 O6 -","- C44 H50 O6 -","- C176 H200 O24 -","4","1","","Mukherjee, Mana Mohan; Basu, Nabamita; Ghosh, Rina","Iron(III) Chloride Modulated Selective 1,2-trans Glycosylation Based on Glycosyl Trichloroacetimidate Donors and its Application in Orthogonal Glycosylation","RSC Adv.","2016","","","","","10.1039/C6RA21859H","","","0.71073","MoKα","","0.1034","0.0605","","","0.1378","0.1635","","","","","","1.029","","","","has coordinates","187618","2020-10-21","18:00:00",""
"7226949","12.1145","0.0011","8.2023","0.0008","18.5724","0.0016","90","","106.188","0.005","90","","1772.3","0.3","170","2","170","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C11 H6 O2 S -","- C11 H6 O2 S -","- C88 H48 O16 S8 -","8","1","","Yang, Yuhong; Qi, Xueyu; Liu, Ruiling; He, Qian; Yang, Chunhao","One-pot transition-metal-free cascade synthesis of thieno[2,3-c]coumarins from chromones","RSC Adv.","2016","","","","","10.1039/C6RA21776A","","","0.71073","MoKα","","0.0492","0.0361","","","0.0892","0.096","","","","","","1.057","","","","has coordinates","187645","2020-10-21","18:00:00",""
"7226950","9.3531","0.0009","3.6477","0.0004","6.647","0.0007","90","","111.643","0.001","90","","210.79","0.04","296","2","296","2","","","","","","","","4","C 1 2/m 1","-C 2y","12","","","","- Li Mo O6 V -","- Li Mo O6 V -","- Li2 Mo2 O12 V2 -","2","0.25","","Tao, Xutang; Wang, Zheng; Wu, Qian; Zhu, Min; Gao, Zeliang; Tian, Xiangxin; Xia, Sheng-Qing; sun, youxuan","Top-seeded solution growth and Characterization of Raman crystal LiVMoO6","RSC Adv.","2016","","","","","10.1039/C6RA24321E","","","0.71073","MoKα","","0.0116","0.0113","","","0.0304","0.0306","","","","","","1.232","","","","has coordinates","187646","2020-10-21","18:00:00",""
"7226951","7.2285","0.0006","7.6427","0.0009","7.6586","0.0007","62.479","0.01","67.121","0.008","63.114","0.009","325.9","0.07","111","","111","","","","","","","","","4","P -1","-P 1","2","","","","- C14 H18 O4 Pd -","- C14 H18 O4 Pd -","- C14 H18 O4 Pd -","1","0.5","","Assim, K.; Melzer, M.; Korb, M.; Rüffer, T.; Jakob, A.; Noll, J.; Georgi, C.; Schulz, S. E.; Lang, H.","Bis(β-diketonato)- and allyl-(β-diketonato)-palladium(ii) complexes: synthesis, characterization and MOCVD application","RSC Adv.","2016","6","104","102557","","10.1039/C6RA22887A","","","0.71073","MoKα","","0.0233","0.0231","","","0.0552","0.0552","","","","","","1.094","","","","has coordinates,has disorder","187647","2020-10-21","18:00:00",""
"7226952","14.4316","0.0005","6.5451","0.0002","15.6537","0.0005","90","","90","","90","","1478.59","0.08","115","","115","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C16 H22 O4 Pd -","- C16 H22 O4 Pd -","- C64 H88 O16 Pd4 -","4","0.5","","Assim, K.; Melzer, M.; Korb, M.; Rüffer, T.; Jakob, A.; Noll, J.; Georgi, C.; Schulz, S. E.; Lang, H.","Bis(β-diketonato)- and allyl-(β-diketonato)-palladium(ii) complexes: synthesis, characterization and MOCVD application","RSC Adv.","2016","6","104","102557","","10.1039/C6RA22887A","","","0.71073","MoKα","","0.0362","0.0269","","","0.0626","0.0671","","","","","","1.054","","","","has coordinates","187647","2020-10-21","18:00:00",""
"7226953","24.443","0.007","5.4443","0.0009","23.838","0.008","90","","111.49","0.03","90","","2951.7","1.5","120","","120","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C15 H25 O2.5 Pd -","- C15 H25 O2.5 Pd -","- C120 H200 O20 Pd8 -","8","1","","Assim, K.; Melzer, M.; Korb, M.; Rüffer, T.; Jakob, A.; Noll, J.; Georgi, C.; Schulz, S. E.; Lang, H.","Bis(β-diketonato)- and allyl-(β-diketonato)-palladium(ii) complexes: synthesis, characterization and MOCVD application","RSC Adv.","2016","6","104","102557","","10.1039/C6RA22887A","","","0.71073","MoKα","","0.1141","0.0786","","","0.1772","0.1969","","","","","","1.065","","","","has coordinates","206958","2020-10-21","18:00:00",""
"7226954","15.907","0.002","11.3687","0.0016","17.799","0.003","90","","99.223","0.002","90","","3177.2","0.8","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H14 F3 N O2 -","- C18 H14 F3 N O2 -","- C144 H112 F24 N8 O16 -","8","2","","Choudhary, Manoj Kumar; Ganga, Venkata Subba Rao; Menapara, TusharKumar; Kureshy, Rukhsana Ilyas; Khan, Noor-ul H.; Abdi, Sayed H. R.; Eringathodi, Suresh","Cascade reaction for the construction of CF3 containing tetrasubstituted furan ring","RSC Adv.","2016","","","","","10.1039/C6RA19782E","","","0.71073","MoKα","","0.0754","0.0571","","","0.153","0.1695","","","","","","1.043","","","","has coordinates","187648","2020-10-21","18:00:00",""
"7226955","16.2924","0.0016","11.4971","0.0011","17.3169","0.0017","90","","113.234","0.002","90","","2980.7","0.5","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C17 H11 F4 N O2 -","- C17 H11 F4 N O2 -","- C136 H88 F32 N8 O16 -","8","2","","Choudhary, Manoj Kumar; Ganga, Venkata Subba Rao; Menapara, TusharKumar; Kureshy, Rukhsana Ilyas; Khan, Noor-ul H.; Abdi, Sayed H. R.; Eringathodi, Suresh","Cascade reaction for the construction of CF3 containing tetrasubstituted furan ring","RSC Adv.","2016","","","","","10.1039/C6RA19782E","","","0.71073","MoKα","","0.0888","0.0727","","","0.1408","0.1481","","","","","","1.227","","","","has coordinates","187648","2020-10-21","18:00:00",""
"7226956","6.8042","0.0008","10.4803","0.0013","10.7532","0.0013","94.479","0.002","93.483","0.002","102.53","0.002","743.88","0.16","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C15 H9 Cl F3 N O2 S -","- C15 H9 Cl F3 N O2 S -","- C30 H18 Cl2 F6 N2 O4 S2 -","2","1","","Choudhary, Manoj Kumar; Ganga, Venkata Subba Rao; Menapara, TusharKumar; Kureshy, Rukhsana Ilyas; Khan, Noor-ul H.; Abdi, Sayed H. R.; Eringathodi, Suresh","Cascade reaction for the construction of CF3 containing tetrasubstituted furan ring","RSC Adv.","2016","","","","","10.1039/C6RA19782E","","","0.71073","MoKα","","0.053","0.0484","","","0.1621","0.1673","","","","","","1.185","","","","has coordinates","187648","2020-10-21","18:00:00",""
"7226957","8.754","0.0002","13.5346","0.0003","11.9125","0.0003","90","","96.941","0.001","90","","1401.07","0.06","200","2","200","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","(E)‒4‒(4‒Nitrophenylmethylenimino)‒2,6‒dimethylphenol","","- C15 H16 N2 O4 -","- C15 H16 N2 O4 -","- C60 H64 N8 O16 -","4","1","","Stock, Rafaela I.; de Melo, Carlos E. A.; Schramm, Adriana D. S.; Nicoleti, Celso R.; Bortoluzzi, Adailton J.; Heying, Renata da S; Machado, Vanderlei G.; Rezende, Marcos C.","Structure-behavior study of a family of ""hybrid cyanine"" dyes which exhibit inverted solvatochromism.","Physical chemistry chemical physics : PCCP","2016","18","47","32256","32265","10.1039/c6cp06708e","","","0.71073","MoKα","","0.048","0.0398","","","0.1108","0.1191","","","","","","1.064","","","","has coordinates","190285","2020-10-21","18:00:00",""
"7226958","8.5277","0.0003","10.575","0.0004","15.1816","0.0005","93.258","0.001","101.706","0.001","92.719","0.001","1336","0.08","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","(E)‒4‒(4‒Nitrophenylmethylenimino)‒2,6‒dibromophenol","","- C13 H8 Br2 N2 O3 -","- C13 H8 Br2 N2 O3 -","- C52 H32 Br8 N8 O12 -","4","2","","Stock, Rafaela I.; de Melo, Carlos E. A.; Schramm, Adriana D. S.; Nicoleti, Celso R.; Bortoluzzi, Adailton J.; Heying, Renata da S; Machado, Vanderlei G.; Rezende, Marcos C.","Structure-behavior study of a family of ""hybrid cyanine"" dyes which exhibit inverted solvatochromism.","Physical chemistry chemical physics : PCCP","2016","18","47","32256","32265","10.1039/c6cp06708e","","","0.71073","MoKα","","0.0308","0.0251","","","0.0535","0.0563","","","","","","1.059","","","","has coordinates","190285","2020-10-21","18:00:00",""
"7226959","11.8923","0.0003","12.959","0.0003","12.7118","0.0003","90","","97.638","0.001","90","","1941.66","0.08","200","2","200","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(E)‒2,6‒Diphenyl‒4‒(4‒nitrostyryl)phenol","","- C26 H19 N O3 -","- C26 H19 N O3 -","- C104 H76 N4 O12 -","4","1","","Stock, Rafaela I.; de Melo, Carlos E. A.; Schramm, Adriana D. S.; Nicoleti, Celso R.; Bortoluzzi, Adailton J.; Heying, Renata da S; Machado, Vanderlei G.; Rezende, Marcos C.","Structure-behavior study of a family of ""hybrid cyanine"" dyes which exhibit inverted solvatochromism.","Physical chemistry chemical physics : PCCP","2016","18","47","32256","32265","10.1039/c6cp06708e","","","0.71073","MoKα","","0.0693","0.0494","","","0.1296","0.1442","","","","","","1.023","","","","has coordinates","190285","2020-10-21","18:00:00",""
"7226960","8.7179","0.0003","13.577","0.0005","11.6351","0.0004","90","","96.555","0.001","90","","1368.16","0.08","200","2","200","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","(E)‒4‒(4‒Nitrophenylmethylenimino)‒2,6‒dichlorophenol","","- C13 H10 Cl2 N2 O4 -","- C13 H10 Cl2 N2 O4 -","- C52 H40 Cl8 N8 O16 -","4","1","","Stock, Rafaela I.; de Melo, Carlos E. A.; Schramm, Adriana D. S.; Nicoleti, Celso R.; Bortoluzzi, Adailton J.; Heying, Renata da S; Machado, Vanderlei G.; Rezende, Marcos C.","Structure-behavior study of a family of ""hybrid cyanine"" dyes which exhibit inverted solvatochromism.","Physical chemistry chemical physics : PCCP","2016","18","47","32256","32265","10.1039/c6cp06708e","","","0.71073","MoKα","","0.0427","0.0347","","","0.0935","0.1","","","","","","1.028","","","","has coordinates","190285","2020-10-21","18:00:00",""
"7226961","6.6932","0.0004","7.6756","0.0005","15.1649","0.0009","86.795","0.002","85.596","0.002","68.438","0.002","722.1","0.08","200","2","200","2","","","","","","","","4","P -1","-P 1","2","","(E)‒4‒(2,4‒Dinitrophenylmethylenimino)‒2,6‒dimethylphenol (2h)","","- C15 H13 N3 O5 -","- C15 H13 N3 O5 -","- C30 H26 N6 O10 -","2","1","","Stock, Rafaela I.; de Melo, Carlos E. A.; Schramm, Adriana D. S.; Nicoleti, Celso R.; Bortoluzzi, Adailton J.; Heying, Renata da S; Machado, Vanderlei G.; Rezende, Marcos C.","Structure-behavior study of a family of ""hybrid cyanine"" dyes which exhibit inverted solvatochromism.","Physical chemistry chemical physics : PCCP","2016","18","47","32256","32265","10.1039/c6cp06708e","","","0.71073","MoKα","","0.0567","0.0382","","","0.0934","0.1022","","","","","","1.023","","","","has coordinates","190285","2020-10-21","18:00:00",""
"7226962","11.0695","0.0004","12.3229","0.0005","13.1699","0.0005","79.16","0.003","66.215","0.003","72.255","0.003","1561.31","0.11","298","2","298","2","","","","","","","","7","P -1","-P 1","2","","","","- C16 H16 Ag10 Mo12 N24 O44 P -","- C16 H16 Ag10 Mo12 N24 O44 P -","- C16 H16 Ag10 Mo12 N24 O44 P -","1","0.5","","Sha, JingQuan; Yang, Xi-Ya; Zhu, Pei-Pei; Lan, Ya-Qian; Sheng, Ning","Two new silver triazole frameworks with polyoxometalate templates","RSC Adv.","2016","","","","","10.1039/C6RA23809B","","","0.71073","MoKα","","0.0653","0.0493","","","0.0974","0.1036","","","","","","1.044","","","","has coordinates","187682","2020-10-21","18:00:00",""
"7226963","12.1615","0.0003","12.1615","0.0003","10.4558","0.0005","90","","90","","120","","1339.25","0.08","273","2","273","2","","","","","","","","7","P -3 1 m","-P 3 2","162","","","","- C12 H12 Ag5 Mo12 N18 O40 P -","- C12 H12 Ag5 Mo12 N18 O40 P -","- C12 H12 Ag5 Mo12 N18 O40 P -","1","0.0833333","","Sha, JingQuan; Yang, Xi-Ya; Zhu, Pei-Pei; Lan, Ya-Qian; Sheng, Ning","Two new silver triazole frameworks with polyoxometalate templates","RSC Adv.","2016","","","","","10.1039/C6RA23809B","","","0.71073","MoKα","","0.067","0.0534","","","0.1224","0.1291","","","","","","1.036","","","","has coordinates,has disorder","187682","2020-10-21","18:00:00",""
"7226964","15.3316","0.0006","19.0247","0.0005","21.5272","0.0009","78.723","0.003","71.13","0.004","73.949","0.003","5670.9","0.4","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C140 H228 Cl O144 S20 Yb7 -","- C140 H80 Cl O144 S20 Yb7 -","- C140 H80 Cl O144 S20 Yb7 -","1","0.5","","Ling, Irene; Sobolev, Alexandre N.; Raston, Colin L.","Functional heterocyclic molecular inclusion in p-sulfonatocalix[5]arene and lanthanide(iii) complexes","RSC Adv.","2016","6","104","102695","","10.1039/C6RA23283C","","","1.54178","CuKα","","0.2174","0.1521","","","0.3364","0.368","","","","","","1.037","","","","has coordinates,has disorder","187683","2020-10-21","18:00:00",""
"7226965","17.214","0.003","18.887","0.007","20.574","0.003","77.93","0.02","70.96","0.01","75.49","0.02","6062","3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C179 H236 Cl2 O135 S20 Yb4.67 -","- C179 H112 Cl2 O135 S20 Yb4.6666 -","- C179 H112 Cl2 O135 S20 Yb4.6666 -","1","0.5","","Ling, Irene; Sobolev, Alexandre N.; Raston, Colin L.","Functional heterocyclic molecular inclusion in p-sulfonatocalix[5]arene and lanthanide(iii) complexes","RSC Adv.","2016","6","104","102695","","10.1039/C6RA23283C","","","1.54178","CuKα","","0.1989","0.147","","","0.3627","0.3914","","","","","","1.008","","","","has coordinates,has disorder","187683","2020-10-21","18:00:00",""
"7226966","11.1318","0.0002","17.7181","0.0004","52.0066","0.0012","97.634","0.002","95.167","0.002","100.468","0.002","9928.5","0.4","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C290 H386 Gd4 N16 Na4 O159 S30 -","- C290 H272 Gd4 N16 Na4 O159 S30 -","- C290 H272 Gd4 N16 Na4 O159 S30 -","1","0.5","","Ling, Irene; Sobolev, Alexandre N.; Raston, Colin L.","Functional heterocyclic molecular inclusion in p-sulfonatocalix[5]arene and lanthanide(iii) complexes","RSC Adv.","2016","6","104","102695","","10.1039/C6RA23283C","","","1.54178","CuKα","","0.165","0.1409","","","0.3344","0.3502","","","","","","1.138","","","","has coordinates,has disorder","187683","2020-10-21","18:00:00",""
"7226967","10.6867","0.0009","12.6297","0.0012","14.2706","0.0013","113.964","0.004","104.709","0.004","97.42","0.004","1642.6","0.3","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C46 H50 Cl4 Mn6 N28 O10 -","- C46 H50 Cl4 Mn6 N28 O10 -","- C46 H50 Cl4 Mn6 N28 O10 -","1","0.5","","Giannopoulos, Dimosthenis; Cunha-Silva, Luis; Ballesteros-Garrido, Rafael; Ballesteros, Rafael; Abarca, Belén; Escuer, Albert; Stamatatos, Theocharis","New structural motifs in Mn cluster chemistry from the ketone/gem-diol and bis(gem¬-diol) forms of 2,6-di-(2-pyridylcarbonyl)pyridine: {MnII4MnIII2} and {MnII4MnIII6} complexes","RSC Adv.","2016","","","","","10.1039/C6RA22953K","","","0.71073","MoKα","","0.0833","0.0584","","","0.1242","0.1372","","","","","","1.06","","","","has coordinates","187702","2020-10-21","18:00:00",""
"7226968","29.294","0.006","28.311","0.006","16.462","0.003","90","","100.953","0.007","90","","13404","5","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C94 H105 Mn10 N57 O24 -","- C94 H88 Mn10 N57 O24 -","- C376 H352 Mn40 N228 O96 -","4","1","","Giannopoulos, Dimosthenis; Cunha-Silva, Luis; Ballesteros-Garrido, Rafael; Ballesteros, Rafael; Abarca, Belén; Escuer, Albert; Stamatatos, Theocharis","New structural motifs in Mn cluster chemistry from the ketone/gem-diol and bis(gem¬-diol) forms of 2,6-di-(2-pyridylcarbonyl)pyridine: {MnII4MnIII2} and {MnII4MnIII6} complexes","RSC Adv.","2016","","","","","10.1039/C6RA22953K","","","0.71073","MoKα","","0.1555","0.0978","","","0.221","0.2596","","","","","","0.871","","","","has coordinates","187702","2020-10-21","18:00:00",""
"7226969","18","0.0009","18.933","0.001","28.187","0.002","76.131","0.002","71.402","0.003","86.574","0.003","8837.5","0.9","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C152 H142 N16 O47 S8 -","- C152 H112 N16 O47 S8 -","- C304 H224 N32 O94 S16 -","2","1","","Leśniewska, Barbara; Coleman, Anthony W.; Tauran, Yannick; Perret, Florent; Suwińska, Kinga","Pseudopolymorphs ‒ a variety of self-organization of para-sulphonato-calix[8]arene and phenanthroline in the solid state","CrystEngComm","2016","18","46","8858","","10.1039/C6CE01753C","","","0.71073","MoKα","","0.3207","0.22","","","0.4847","0.5243","","","","","","1.678","","","","has coordinates,has disorder","190065","2020-10-21","18:00:00",""
"7226970","34.8241","0.0009","11.9401","0.0002","41.747","0.001","90","","98.01","0.003","90","","17189.2","0.7","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C180 H182 N20 O55 S8 -","- C180 H140 N20 O55 S8 -","- C720 H560 N80 O220 S32 -","4","0.5","","Leśniewska, Barbara; Coleman, Anthony W.; Tauran, Yannick; Perret, Florent; Suwińska, Kinga","Pseudopolymorphs ‒ a variety of self-organization of para-sulphonato-calix[8]arene and phenanthroline in the solid state","CrystEngComm","2016","18","46","8858","","10.1039/C6CE01753C","","","1.5418","CuKα","","0.1485","0.1372","","","0.3708","0.3747","","","","","","1.203","","","","has coordinates,has disorder","190065","2020-10-21","18:00:00",""
"7226971","14.8749","0.0004","20.9698","0.0008","30.2225","0.0009","97.318","0.003","99.924","0.002","95.529","0.003","9142.6","0.5","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C388 H375 N46 O112 S16 -","- C388 H327 N46 O112 S16 -","- C388 H327 N46 O112 S16 -","1","0.5","","Leśniewska, Barbara; Coleman, Anthony W.; Tauran, Yannick; Perret, Florent; Suwińska, Kinga","Pseudopolymorphs ‒ a variety of self-organization of para-sulphonato-calix[8]arene and phenanthroline in the solid state","CrystEngComm","2016","18","46","8858","","10.1039/C6CE01753C","","","1.5418","CuKα","","0.0978","0.0778","","","0.246","0.2607","","","","","","0.946","","","","has coordinates,has disorder","190065","2020-10-21","18:00:00",""
"7226972","16.746","0.006","34.094","0.013","19.114","0.008","90","","104.321","0.006","90","","10574","7","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C78 H84 Mg4 N2 O27 -","- C78 H84 Mg4 N2 O27 -","- C312 H336 Mg16 N8 O108 -","4","1","","Vishnoi, Pratap; Kaleeswaran, D.; Kalita, Alok Ch.; Murugavel, Ramaswamy","Dependence of the SBU length on the size of metal ions in alkaline earth MOFs derived from a flexible C3-symmetric tricarboxylic acid","CrystEngComm","2016","18","47","9130","","10.1039/C6CE01821A","","","0.71075","MoKα","","0.1528","0.0967","","","0.2591","0.2925","","","","","","1.034","","","","has coordinates","190093","2020-10-21","18:00:00",""
"7226973","15.547","0.006","20.203","0.01","20.451","0.012","118.19","0.03","95.92","0.07","103.52","0.05","5331","6","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C72 H79 Ca4 Cl N2 O26 -","- C72 H79 Ca4 Cl N2 O26 -","- C144 H158 Ca8 Cl2 N4 O52 -","2","1","","Vishnoi, Pratap; Kaleeswaran, D.; Kalita, Alok Ch.; Murugavel, Ramaswamy","Dependence of the SBU length on the size of metal ions in alkaline earth MOFs derived from a flexible C3-symmetric tricarboxylic acid","CrystEngComm","2016","18","47","9130","","10.1039/C6CE01821A","","","0.71073","MoKα","","0.1977","0.1417","","","0.3812","0.4188","","","","","","1.114","","","","has coordinates","190093","2020-10-21","18:00:00",""
"7226974","16.331","0.006","19.681","0.005","21.132","0.004","59.93","0.017","71.32","0.02","83.87","0.02","5556","3","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C92 H114 N6 O28 Sr4 -","- C92 H114 N6 O28 Sr4 -","- C184 H228 N12 O56 Sr8 -","2","1","","Vishnoi, Pratap; Kaleeswaran, D.; Kalita, Alok Ch.; Murugavel, Ramaswamy","Dependence of the SBU length on the size of metal ions in alkaline earth MOFs derived from a flexible C3-symmetric tricarboxylic acid","CrystEngComm","2016","18","47","9130","","10.1039/C6CE01821A","","","0.71075","MoKα","","0.1618","0.1064","","","0.2324","0.2687","","","","","","1.042","","","","has coordinates","190093","2020-10-21","18:00:00",""
"7226975","19.519","0.004","19.943","0.003","32.106","0.007","76.687","0.014","83.425","0.015","61.034","0.009","10641","4","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C188 H234 Ba9 N20 O68 -","- C188 H234 Ba9 N20 O68 -","- C376 H468 Ba18 N40 O136 -","2","1","","Vishnoi, Pratap; Kaleeswaran, D.; Kalita, Alok Ch.; Murugavel, Ramaswamy","Dependence of the SBU length on the size of metal ions in alkaline earth MOFs derived from a flexible C3-symmetric tricarboxylic acid","CrystEngComm","2016","18","47","9130","","10.1039/C6CE01821A","","","0.71073","MoKα","","0.0448","0.0308","","","0.0597","0.0637","","","","","","0.72","","","","has coordinates","190093","2020-10-21","18:00:00",""
"7226976","3.7798","0.0004","18.113","0.0013","10.051","0.0008","90","","95.479","0.004","90","","684.98","0.1","110","2","110","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C7 H3 Cl F2 O -","- C7 H3 Cl F2 O -","- C28 H12 Cl4 F8 O4 -","4","1","","Dey, Dhananjay; Bhandary, Subhrajyoti; Thomas, Sajesh P.; Spackman, Mark A.; Chopra, Deepak","Energy frameworks and a topological analysis of the supramolecular features in in situ cryocrystallized liquids: tuning the weak interaction landscape via fluorination.","Physical chemistry chemical physics : PCCP","2016","18","46","31811","31820","10.1039/c6cp05917a","","","0.71073","MoKα","","0.0296","0.0279","","","0.084","0.087","","","","","","1.081","","","","has coordinates","190281","2020-10-21","18:00:00",""
"7226977","13.4138","0.0005","5.1617","0.0002","20.5882","0.0007","90","","97.546","0.002","90","","1413.14","0.09","110","2","110","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C7 H2 Cl F3 O -","- C7 H2 Cl F3 O -","- C56 H16 Cl8 F24 O8 -","8","2","","Dey, Dhananjay; Bhandary, Subhrajyoti; Thomas, Sajesh P.; Spackman, Mark A.; Chopra, Deepak","Energy frameworks and a topological analysis of the supramolecular features in in situ cryocrystallized liquids: tuning the weak interaction landscape via fluorination.","Physical chemistry chemical physics : PCCP","2016","18","46","31811","31820","10.1039/c6cp05917a","","","0.71073","MoKα","","0.0322","0.029","","","0.0741","0.0763","","","","","","1.049","","","","has coordinates","190281","2020-10-21","18:00:00",""
"7226978","3.8275","0.0005","10.9838","0.0012","16.3303","0.0016","90","","95.919","0.008","90","","682.87","0.13","230","2","230","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C7 H4 Cl F O -","- C7 H4 Cl F O -","- C28 H16 Cl4 F4 O4 -","4","1","","Dey, Dhananjay; Bhandary, Subhrajyoti; Thomas, Sajesh P.; Spackman, Mark A.; Chopra, Deepak","Energy frameworks and a topological analysis of the supramolecular features in in situ cryocrystallized liquids: tuning the weak interaction landscape via fluorination.","Physical chemistry chemical physics : PCCP","2016","18","46","31811","31820","10.1039/c6cp05917a","","","0.71073","MoKα","","0.1096","0.0869","","","0.2187","0.2332","","","","","","1.079","","","","has coordinates,has disorder","190281","2020-10-21","18:00:00",""
"7226979","7.2652","0.0003","8.7072","0.0005","27.5665","0.0016","90.574","0.005","90.342","0.004","112.714","0.005","1608.43","0.16","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C35 H25 F6 N3 O5 S -","- C35 H23 F6 N3 O5 S -","- C70 H46 F12 N6 O10 S2 -","2","1","","Cui, Shiqiang; Tang, Yongjuan; Lu, Ruimin; Pu, Shouzhi","A multi-addressable diarylethene for selective detection of Al3+ and construction of logic circuit","RSC Adv.","2016","","","","","10.1039/C6RA23295G","","","0.71073","MoKα","","0.0806","0.0586","","","0.1423","0.1568","","","","","","1.079","","","","has coordinates,has disorder","187719","2020-10-21","18:00:00",""
"7226980","11.477","0.005","19.264","0.008","21.97","0.009","90","","90.732","0.005","90","","4857","4","298","2","298","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C27 H29 N O3 S -","- C27 H29 N O3 S -","- C216 H232 N8 O24 S8 -","8","4","","Sun, Xiaohua; Fei, Jie; Zou, Chuncheng; Lu, Min; Ye, Jinxing","Remote Stereocontrolled Asymmetric 1,6-Addition/1,4-Addition Cascade Reactions between Cyclic Dienones and 2-Indolinethiones","RSC Adv.","2016","","","","","10.1039/C6RA19916J","","","0.71073","MoKα","","0.0839","0.0512","","","0.1162","0.1253","","","","","","0.873","","","","has coordinates","187720","2020-10-21","18:00:00",""
"7226981","7.4511","0.0008","8.0164","0.0008","28.243","0.003","90","","90","","90","","1687","0.3","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C19 H21 N O3 S -","- C19 H21 N O3 S -","- C76 H84 N4 O12 S4 -","4","1","","Sun, Xiaohua; Fei, Jie; Zou, Chuncheng; Lu, Min; Ye, Jinxing","Remote Stereocontrolled Asymmetric 1,6-Addition/1,4-Addition Cascade Reactions between Cyclic Dienones and 2-Indolinethiones","RSC Adv.","2016","","","","","10.1039/C6RA19916J","","","0.71073","MoKα","","0.0434","0.04","","","0.095","0.0974","","","","","","1.039","","","","has coordinates","187720","2020-10-21","18:00:00",""
"7226982","7.8324","0.0019","10.981","0.003","20.695","0.005","90","","90","","90","","1779.9","0.8","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C19 H21 N O3 S -","- C19 H21 N O3 S -","- C76 H84 N4 O12 S4 -","4","1","","Sun, Xiaohua; Fei, Jie; Zou, Chuncheng; Lu, Min; Ye, Jinxing","Remote Stereocontrolled Asymmetric 1,6-Addition/1,4-Addition Cascade Reactions between Cyclic Dienones and 2-Indolinethiones","RSC Adv.","2016","","","","","10.1039/C6RA19916J","","","0.71073","MoKα","","0.0508","0.0416","","","0.0945","0.0998","","","","","","1.016","","","","has coordinates","187720","2020-10-21","18:00:00",""
"7226983","7.828","0.009","10.579","0.011","20.74","0.02","89.827","0.014","81.363","0.015","89.786","0.015","1698","3","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C19 H12 F3 N3 O2 -","- C19 H12 F3 N3 O2 -","- C76 H48 F12 N12 O8 -","4","2","","Liu, Gang; Sun, Xuechun; Chen, Ling; Wu, Yueci; Han, Jing; Chen, Jie; Deng, Hongmei; Shao, Min; Zhang, Hui; Cao, Weiguo","Facile Synthesis of Quinoxaline Annulated Perfluoroalkylated Benzoazepine Derivatives","RSC Adv.","2016","","","","","10.1039/C6RA22727A","","","0.71073","MoKα","","0.1904","0.1206","","","0.3291","0.3577","","","","","","1.086","","","","has coordinates","187721","2020-10-21","18:00:00",""
"7226984","14.2255","0.0014","6.0009","0.0006","13.9246","0.0013","90","","114.398","0.001","90","","1082.53","0.18","130","","130","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C13 H13 F O2 -","- C13 H13 F O2 -","- C52 H52 F4 O8 -","4","1","","Tian, Qingshan; Chen, Bin; Zhang, Guozhu","Silver-initiated radical ring expansion/fluorination of ethynyl cyclobutanols: efficient synthesis of monofluoroethenyl cyclopentanones","Green Chem.","2016","18","23","6236","","10.1039/C6GC02656G","","","0.71073","MoKα","","0.066","0.0552","","","0.1464","0.1576","","","","","","1.039","","","","has coordinates","190222","2020-10-21","18:00:00",""
"7226986","17.382","0.019","6.286","0.007","17.04","0.018","90","","117.003","0.018","90","","1659","3","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H14 Cl O -","- C22 H14 Cl O -","- C88 H56 Cl4 O4 -","4","1","","Saikia, Anil; Ghosh, Priya; Deka, Manash Jyoti; Borah, Madhurjya","Synthesis of dihydroindeno[1,2-c]isochromene via cascade cyclization and Friedel-Crafts reaction","RSC Adv.","2016","","","","","10.1039/C6RA22329J","","","0.71073","MoKα","","0.0915","0.0683","","","0.1508","0.1664","","","","","","1.016","","","","has coordinates","187782","2020-10-21","18:00:00",""
"7226987","6.9223","0.0013","8.2857","0.0016","16.275","0.003","79.871","0.005","78.545","0.004","82.818","0.005","896.7","0.3","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","isoliquiritigenin-isonicotinamide cocrystal","","- C21 H18 N2 O5 -","- C21 H18 N2 O5 -","- C42 H36 N4 O10 -","2","1","","Xu, Jia; Huang, Yuting; Ruan, Sida; Chi, Zongliang; Qin, Kunming; Cai, Baochang; Cai, Ting","Cocrystals of isoliquiritigenin with enhanced pharmacokinetic performance","CrystEngComm","2016","18","45","8776","","10.1039/C6CE01809B","","","0.71073","MoKα","","0.1303","0.0744","","","0.1727","0.2","","","","","","1.023","","","","has coordinates","190082","2020-10-21","18:00:00",""
"7226988","21.909","0.006","3.7898","0.0013","23.918","0.007","90","","114.968","0.008","90","","1800.3","1","296","2","296","2","","","","","","","","4","P 1 2/n 1","-P 2yac","13","","isoliquiritigenin-nicotinamide cocrystal","","- C21 H18 N2 O5 -","- C21 H18 N2 O5 -","- C84 H72 N8 O20 -","4","1","","Xu, Jia; Huang, Yuting; Ruan, Sida; Chi, Zongliang; Qin, Kunming; Cai, Baochang; Cai, Ting","Cocrystals of isoliquiritigenin with enhanced pharmacokinetic performance","CrystEngComm","2016","18","45","8776","","10.1039/C6CE01809B","","","0.71073","MoKα","","0.1738","0.1314","","","0.2294","0.2442","","","","","","1.193","","","","has coordinates","190082","2020-10-21","18:00:00",""
"7226989","5.8589","0.0003","20.01","0.0012","10.2562","0.0005","90","","100.97","0.005","90","","1180.43","0.11","120","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H24 N2 O6 S2 -","- C24 H24 N2 O6 S2 -","- C48 H48 N4 O12 S4 -","2","0.5","","Pop, Flavia; Lewis, William; Amabilino, David B.","Solid state supramolecular structure of diketopyrrolopyrrole chromophores: correlating stacking geometry with visible light absorption","CrystEngComm","2016","18","46","8933","","10.1039/C6CE02157C","","x-ray","1.54184","CuKα","","0.045","0.0399","","","0.1041","0.109","","","","","","1.041","","","","has coordinates,has disorder","190070","2020-10-21","18:00:00",""
"7226990","15.3622","0.0008","5.6904","0.0003","24.0819","0.001","90","","90","","90","","2105.17","0.18","120","2","120","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C22 H20 N2 O6 S2 -","- C22 H20 N2 O6 S2 -","- C88 H80 N8 O24 S8 -","4","1","","Pop, Flavia; Lewis, William; Amabilino, David B.","Solid state supramolecular structure of diketopyrrolopyrrole chromophores: correlating stacking geometry with visible light absorption","CrystEngComm","2016","18","46","8933","","10.1039/C6CE02157C","","x-ray","1.54184","CuKα","","0.0797","0.0783","","","0.2017","0.2026","","","","","","1.115","","","","has coordinates","190070","2020-10-21","18:00:00",""
"7226991","13.7666","0.0008","4.7286","0.0003","25.9341","0.0013","90","","97.914","0.006","90","","1672.15","0.17","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H14 N2 O4 S2 -","- C18 H14 N2 O4 S2 -","- C72 H56 N8 O16 S8 -","4","1","","Pop, Flavia; Lewis, William; Amabilino, David B.","Solid state supramolecular structure of diketopyrrolopyrrole chromophores: correlating stacking geometry with visible light absorption","CrystEngComm","2016","18","46","8933","","10.1039/C6CE02157C","","x-ray","1.54184","CuKα","","0.0737","0.0576","","","0.1482","0.1623","","","","","","1.032","","","","has coordinates","190070","2020-10-21","18:00:00",""
"7226992","39.546","0.004","39.546","0.004","5.9306","0.0008","90","","90","","120","","8032.2","1.6","120","2","120","2","","","","","","","","5","R 3","R 3","146","","","","- C19 H18 N2 O2 S2 -","- C19 H18 N2 O2 S2 -","- C342 H324 N36 O36 S36 -","18","","","Pop, Flavia; Lewis, William; Amabilino, David B.","Solid state supramolecular structure of diketopyrrolopyrrole chromophores: correlating stacking geometry with visible light absorption","CrystEngComm","2016","18","46","8933","","10.1039/C6CE02157C","","x-ray","1.54184","CuKα","","0.1233","0.0837","","","0.2238","0.2655","","","","","","1.008","","","","has coordinates,has disorder","190070","2020-10-21","18:00:00",""
"7226993","10.1252","0.0004","14.6758","0.0004","34.2996","0.0009","90","","90","","90","","5096.8","0.3","120","2","120","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C25 H27 Br N2 O4 S2 -","- C25 H27 Br N2 O4 S2 -","- C200 H216 Br8 N16 O32 S16 -","8","1","","Pop, Flavia; Lewis, William; Amabilino, David B.","Solid state supramolecular structure of diketopyrrolopyrrole chromophores: correlating stacking geometry with visible light absorption","CrystEngComm","2016","18","46","8933","","10.1039/C6CE02157C","","x-ray","0.6889","","","0.0967","0.0755","","","0.2206","0.2391","","","","","","1.08","","","","has coordinates,has disorder","190070","2020-10-21","18:00:00",""
"7226994","15.8547","0.0005","6.138","0.0002","37.0248","0.0012","90","","90","","90","","3603.1","0.2","120","2","120","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C19 H16 N2 O4 S2 -","- C19 H16 N2 O4 S2 -","- C152 H128 N16 O32 S16 -","8","2","","Pop, Flavia; Lewis, William; Amabilino, David B.","Solid state supramolecular structure of diketopyrrolopyrrole chromophores: correlating stacking geometry with visible light absorption","CrystEngComm","2016","18","46","8933","","10.1039/C6CE02157C","","x-ray","1.54184","CuKα","","0.1357","0.1318","","","0.3771","0.3826","","","","","","1.754","","","","has coordinates,has disorder","190070","2020-10-21","18:00:00",""
"7226995","10.18976","0.0001","14.54422","0.00015","26.2201","0.0003","90","","99.5359","0.0011","90","","3832.18","0.07","120","2","120","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C40 H38 Br2 N4 O4 S4 -","- C40 H38 Br2 N4 O4 S4 -","- C160 H152 Br8 N16 O16 S16 -","4","1","","Pop, Flavia; Lewis, William; Amabilino, David B.","Solid state supramolecular structure of diketopyrrolopyrrole chromophores: correlating stacking geometry with visible light absorption","CrystEngComm","2016","18","46","8933","","10.1039/C6CE02157C","","x-ray","1.54184","CuKα","","0.0345","0.0325","","","0.0959","0.0981","","","","","","1.06","","","","has coordinates,has disorder","190070","2020-10-21","18:00:00",""
"7226996","15.855","0.0002","5.37336","0.00005","16.575","0.0002","90","","112.663","0.0015","90","","1303.07","0.03","120","2","120","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C26 H30 Br2 N2 O2 S2 -","- C26 H30 Br2 N2 O2 S2 -","- C52 H60 Br4 N4 O4 S4 -","2","0.5","","Pop, Flavia; Lewis, William; Amabilino, David B.","Solid state supramolecular structure of diketopyrrolopyrrole chromophores: correlating stacking geometry with visible light absorption","CrystEngComm","2016","18","46","8933","","10.1039/C6CE02157C","","x-ray","1.54184","CuKα","","0.0254","0.0248","","","0.0694","0.0699","","","","","","1.097","","","","has coordinates","190070","2020-10-21","18:00:00",""
"7226997","16.0248","0.0004","5.61472","0.00012","25.7171","0.0006","90","","106.106","0.003","90","","2223.07","0.1","120","2","120","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C24 H28 N2 O2 S2 -","- C24 H28 N2 O2 S2 -","- C96 H112 N8 O8 S8 -","4","2","","Pop, Flavia; Lewis, William; Amabilino, David B.","Solid state supramolecular structure of diketopyrrolopyrrole chromophores: correlating stacking geometry with visible light absorption","CrystEngComm","2016","18","46","8933","","10.1039/C6CE02157C","","x-ray","1.54184","CuKα","","0.04","0.0362","","","0.0953","0.0982","","","","","","1.049","","","","has coordinates","190070","2020-10-21","18:00:00",""
"7226998","21.477","0.003","10.2253","0.0014","12.3312","0.0017","90","","98.717","0.003","90","","2676.8","0.6","298","2","298","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C10 H16 N6 O4 -","- C10 H16 N6 O4 -","- C80 H128 N48 O32 -","8","1","","Jia, Xin-Jian; Wang, Jinshu; Zhong, Di-Chang; Wu, Junshu; Zhao, Bingxin; den Engelsen, Daniel; Luo, xuzhong","A thermo-sensitive supramolecular hydrogel derived from an onium salt with the property of solution-gel-crystal transition","RSC Adv.","2016","","","","","10.1039/C6RA23761D","","","0.71073","MoKα","","0.0445","0.0393","","","0.1096","0.1158","","","","","","1.027","","","","has coordinates","187805","2020-10-21","18:00:00",""
"7226999","5.3295","0.0004","14.0859","0.0009","15.0058","0.001","66.095","0.001","86.329","0.001","81.284","0.001","1017.97","0.12","295","2","295.15","","","","","","","","","5","P -1","-P 1","2","","","","- C18 H21.5 O6 P2 Pb -","- C18 H21.5 O6 P2 Pb -","- C36 H43 O12 P4 Pb2 -","2","1","","Xing, Bo; Li, Huan-Yu; Zhu, Yanyu; Zhao, Zhou; Sun, Zhen-Gang; Yang, Dan; Li, Jing","Two fluorescent lead phosphonates for highly selective sensing of nitro aromatics (NACs), Fe3+ and MnO4− ions","RSC Adv.","2016","","","","","10.1039/C6RA21403G","","","0.71073","MoKα","","0.0335","0.0266","","","0.0584","0.0612","","","","","","1.022","","","","has coordinates,has disorder","187807","2020-10-21","18:00:00",""
"7227000","12.142","0.0005","15.4695","0.0006","15.6819","0.0006","96.676","0.001","94.121","0.001","111.124","0.001","2708.33","0.19","295","2","295.15","","","","","","","","","5","P -1","-P 1","2","","","","- C51 H47 O21 P3 Pb3 -","- C51 H48 O21 P3 Pb3 -","- C102 H96 O42 P6 Pb6 -","2","1","","Xing, Bo; Li, Huan-Yu; Zhu, Yanyu; Zhao, Zhou; Sun, Zhen-Gang; Yang, Dan; Li, Jing","Two fluorescent lead phosphonates for highly selective sensing of nitro aromatics (NACs), Fe3+ and MnO4− ions","RSC Adv.","2016","","","","","10.1039/C6RA21403G","","","0.71073","MoKα","","0.0565","0.0358","","","0.0756","0.083","","","","","","1.014","","","","has coordinates,has disorder","187807","2020-10-21","18:00:00",""
"7227001","26.146","0.002","10.396","0.0005","20.1104","0.0016","90","","127.778","0.012","90","","4320.5","0.9","150","2","150","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","siprobichroman dianhydride","4,4,4',4'-tetramethyl-3,3',4,4'-tetrahydro-2,2'-spirobi[furo[3,4-g]chromene]-6,6',8,8'-tetraone","","- C25 H20 O8 -","- C25 H20 O8 -","- C200 H160 O64 -","8","1","","Tang, I-Chun; Wang, Meng Wei; Wu, Chien-Hsin; Dai, Shenghong A.; Jeng, Ru-Jong; Lin, Ching_Husuan","A strategy for preparing spirobichroman dianhydride from bisphenol A and its resulting polyimide with low dielectric characteristic","RSC Adv.","2016","","","","","10.1039/C6RA25648A","","x-ray","0.71073","MoKα","","0.0883","0.0529","","","0.1014","0.1176","","","","","","1.024","","","","has coordinates","187808","2020-10-21","18:00:00",""
"7227002","18.209","0.002","14.0476","0.0017","18.549","0.002","90","","100.905","0.002","90","","4659","0.9","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C48 H44 Cu2 N6 O15 -","- C48 H44 Cu2 N6 O15 -","- C192 H176 Cu8 N24 O60 -","4","1","","Patel, Ram Niwas; Singh, Yogendra Pratap; Singh, Yogendra; Butcher, R. J; Zeller, Matthias","Unprecedented copper(II) mediated in situ formation of gem-diol binuclear complexes: A combined experimental and computational study","RSC Adv.","2016","","","","","10.1039/C6RA20367A","","","0.71073","MoKα","","0.0715","0.0493","","","0.1324","0.1449","","","","","","1.053","","","","has coordinates,has disorder","187857","2020-10-21","18:00:00",""
"7227003","18.1632","0.0014","14.0696","0.0012","18.5365","0.0015","90","","100.797","0.001","90","","4653.1","0.7","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C48 H40 Cu2 N6 O13 -","- C48 H40 Cu2 N6 O13 -","- C192 H160 Cu8 N24 O52 -","4","1","","Patel, Ram Niwas; Singh, Yogendra Pratap; Singh, Yogendra; Butcher, R. J; Zeller, Matthias","Unprecedented copper(II) mediated in situ formation of gem-diol binuclear complexes: A combined experimental and computational study","RSC Adv.","2016","","","","","10.1039/C6RA20367A","","","0.71073","MoKα","","0.0655","0.0436","","","0.1162","0.1254","","","","","","1.072","","","","has coordinates,has disorder","187857","2020-10-21","18:00:00",""
"7227004","28.0134","0.0007","17.8914","0.0004","12.7629","0.0003","90","","90","","90","","6396.8","0.3","293","2","293","2","","","","","","","","7","C m c e","-C 2ac 2","64","","","","- C56 H36 Mg8 N4 Ni12 O89 P4 -","- C56 H36 Mg8 N4 Ni12 O89 P4 -","- C112 H72 Mg16 N8 Ni24 O178 P8 -","2","0.125","","Geng, Yong-Jie; Zhang, Ai-Qin; Wu, Kun-Xian; Xue, Dong-Xu; Liu, Zhi-Hong","A unique (3,10)-connected magnesium/nickel-based metal‒organic framework constructed from an unusual kgd supermolecular building layer via mixed linkers and solid solution approach","CrystEngComm","2016","18","43","8358","","10.1039/C6CE01629D","","","0.71073","MoKα","","0.0821","0.0778","","","0.1886","0.1899","","","","","","1.095","","","","has coordinates","187996","2020-10-21","18:00:00",""
"7227005","11.759","0.0007","11.759","0.0007","11.759","0.0007","90","","90","","90","","1625.96","0.17","113","2","113","2","","","","","","","","5","F m -3 m","-F 4 2 3","225","","","","- C12 H16 Co K N8 -","- C12 H16.0032 Co K N8 -","- C48 H64.0128 Co4 K4 N32 -","4","0.0208333","","Qian, Kun; Shao, Feng; Yan, Zhihong; Pang, Jie; Chen, Xiaodong; Yang, Changxin","A perovskite-type cage compound as a temperature-triggered dielectric switchable material","CrystEngComm","2016","18","40","7671","","10.1039/C6CE01421F","","","0.71073","MoKα","","0.0285","0.0274","","","0.0808","0.0812","","","","","","1.018","","","","has coordinates","187997","2020-10-21","18:00:00",""
"7227006","11.8233","0.0015","11.8233","0.0015","11.8233","0.0015","90","","90","","90","","1652.8","0.4","293","2","293","2","","","","","","","","5","P m -3 m","-P 4 2 3","221","","","","- C12 H16 Co K N8 -","- C12.0008 H16.0032 Co K N8 -","- C48.0032 H64.0128 Co4 K4 N32 -","4","0.0833333","","Qian, Kun; Shao, Feng; Yan, Zhihong; Pang, Jie; Chen, Xiaodong; Yang, Changxin","A perovskite-type cage compound as a temperature-triggered dielectric switchable material","CrystEngComm","2016","18","40","7671","","10.1039/C6CE01421F","","","0.71073","MoKα","","0.0452","0.0405","","","0.1336","0.1353","","","","","","1.053","","","","has coordinates","187997","2020-10-21","18:00:00",""
"7227007","8.6301","0.0005","7.7579","0.0007","23.769","0.002","90","","98.599","0.004","90","","1573.5","0.2","150","2","150","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","","(N,N'-Dibromo-5,5-dimethylhydantoin)(4-cyanopyridine)(1,2-dichloroethane)0.5","","- C12 H12 Br2 Cl N4 O2 -","- C12 H12 Br2 Cl N4 O2 -","- C48 H48 Br8 Cl4 N16 O8 -","4","0.5","","Nicolas, Irène; Jeannin, Olivier; Pichon, Delphine; Fourmigué, Marc","Dibromohydantoins as halogen bond (XB) donors: a route toward the introduction of chirality in halogen bonded systems","CrystEngComm","2016","18","48","9325","","10.1039/C6CE02175A","","x-ray","0.71073","MoKα","","0.0658","0.0536","","","0.1346","0.1428","","","","","","1.058","","","","has coordinates","190078","2020-10-21","18:00:00",""
"7227008","7.714","0.0004","8.0925","0.0004","9.1626","0.0004","64.045","0.003","81.55","0.004","85.532","0.004","508.65","0.04","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","(N,N'-Dibromo-5,5-dimethylhydantoin)2(pyrazine)","","- C7 H8 Br2 N3 O2 -","- C7 H8 Br2 N3 O2 -","- C14 H16 Br4 N6 O4 -","2","1","","Nicolas, Irène; Jeannin, Olivier; Pichon, Delphine; Fourmigué, Marc","Dibromohydantoins as halogen bond (XB) donors: a route toward the introduction of chirality in halogen bonded systems","CrystEngComm","2016","18","48","9325","","10.1039/C6CE02175A","","x-ray","0.71073","MoKα","","0.0357","0.0282","","","0.075","0.0775","","","","","","1.108","","","","has coordinates","190078","2020-10-21","18:00:00",""
"7227009","6.1692","0.0008","7.97","0.001","15.743","0.002","88.236","0.005","81.458","0.005","85.411","0.005","762.88","0.17","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","(N,N'-Dibromo-5,5-dimethylhydantoin)(methylisonicotinate)","","- C12 H13 Br2 N3 O4 -","- C12 H13 Br2 N3 O4 -","- C24 H26 Br4 N6 O8 -","2","1","","Nicolas, Irène; Jeannin, Olivier; Pichon, Delphine; Fourmigué, Marc","Dibromohydantoins as halogen bond (XB) donors: a route toward the introduction of chirality in halogen bonded systems","CrystEngComm","2016","18","48","9325","","10.1039/C6CE02175A","","x-ray","0.71073","MoKα","","0.072","0.0559","","","0.1645","0.1774","","","","","","1.035","","","","has coordinates,has disorder","190078","2020-10-21","18:00:00",""
"7227010","6.5779","0.0005","7.9462","0.0005","32.486","0.002","90","","90","","90","","1698","0.2","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(N,N'-Dibromo-(S)-5-isobutylhydantoin)(methylisonicotinate)","","- C14 H17 Br2 N3 O4 -","- C14 H17 Br2 N3 O4 -","- C56 H68 Br8 N12 O16 -","4","1","","Nicolas, Irène; Jeannin, Olivier; Pichon, Delphine; Fourmigué, Marc","Dibromohydantoins as halogen bond (XB) donors: a route toward the introduction of chirality in halogen bonded systems","CrystEngComm","2016","18","48","9325","","10.1039/C6CE02175A","","x-ray","0.71073","MoKα","","0.0436","0.0313","","","0.0545","0.0574","","","","","","1.048","","","","has coordinates","190078","2020-10-21","18:00:00",""
"7227011","9.4108","0.0004","7.9826","0.0003","19.9558","0.001","90","","97.418","0.002","90","","1486.59","0.11","150","2","150","2","","","","","","","synthesis as described","6","P 1 21/c 1","-P 2ybc","14","","(N,N'-Dibromo-5,5-dimethylhydantoin)(4-trifluoromethylpyridine)","","- C11 H10 Br2 F3 N3 O2 -","- C11 H10 Br2 F3 N3 O2 -","- C44 H40 Br8 F12 N12 O8 -","4","1","","Nicolas, Irène; Jeannin, Olivier; Pichon, Delphine; Fourmigué, Marc","Dibromohydantoins as halogen bond (XB) donors: a route toward the introduction of chirality in halogen bonded systems","CrystEngComm","2016","18","48","9325","","10.1039/C6CE02175A","","x-ray","0.71073","MoKα","","0.0523","0.0339","","","0.0928","0.1177","","","","","","0.819","","","","has coordinates","190078","2020-10-21","18:00:00",""
"7227012","9.2276","0.0005","11.6453","0.0006","12.8446","0.0007","89.771","0.001","76.772","0.001","76.684","0.001","1305.78","0.12","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H26 Cu N4 O8 -","- C28 H26 Cu N4 O8 -","- C56 H52 Cu2 N8 O16 -","2","1","","Wang, Xiuli; Zhao, Jing; Le, Mao; Lin, Hongyan; Liu, Guocheng; Wang, Xiang","A series of bis(pyridyl)-bis(amide)-modulated metal-1,2-phenylenediacetate coordination polymers: construction and selective dye adsorption","CrystEngComm","2016","18","48","9316","","10.1039/C6CE01970F","","","0.71073","MoKα","","0.0379","0.0318","","","0.0832","0.0859","","","","","","1.019","","","","has coordinates","190079","2020-10-21","18:00:00",""
"7227013","9.0062","0.0006","19.4623","0.0014","16.0701","0.0012","90","","94.442","0.001","90","","2808.3","0.3","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H32 Cu N4 O8 -","- C28 H32 Cu N4 O8 -","- C112 H128 Cu4 N16 O32 -","4","1","","Wang, Xiuli; Zhao, Jing; Le, Mao; Lin, Hongyan; Liu, Guocheng; Wang, Xiang","A series of bis(pyridyl)-bis(amide)-modulated metal-1,2-phenylenediacetate coordination polymers: construction and selective dye adsorption","CrystEngComm","2016","18","48","9316","","10.1039/C6CE01970F","","","0.71073","MoKα","","0.084","0.0509","","","0.116","0.1306","","","","","","1.02","","","","has coordinates","190079","2020-10-21","18:00:00",""
"7227014","18.447","0.0002","21.014","0.0003","28.775","0.0004","90","","90","","90","","11154.5","0.3","296","2","296","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C56 H58 N8 Ni2 O13 -","- C56 H58 N8 Ni2 O13 -","- C448 H464 N64 Ni16 O104 -","8","1","","Wang, Xiuli; Zhao, Jing; Le, Mao; Lin, Hongyan; Liu, Guocheng; Wang, Xiang","A series of bis(pyridyl)-bis(amide)-modulated metal-1,2-phenylenediacetate coordination polymers: construction and selective dye adsorption","CrystEngComm","2016","18","48","9316","","10.1039/C6CE01970F","","","0.71073","MoKα","","0.1024","0.0541","","","0.1084","0.124","","","","","","1","","","","has coordinates","190079","2020-10-21","18:00:00",""
"7227015","5.7315","0.0019","8.915","0.003","18.554","0.006","76.76","0.006","81.312","0.006","82.111","0.006","907","0.5","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C36 H34 Cu3 N4 O12 -","- C36 H34 Cu3 N4 O12 -","- C36 H34 Cu3 N4 O12 -","1","0.5","","Wang, Xiuli; Zhao, Jing; Le, Mao; Lin, Hongyan; Liu, Guocheng; Wang, Xiang","A series of bis(pyridyl)-bis(amide)-modulated metal-1,2-phenylenediacetate coordination polymers: construction and selective dye adsorption","CrystEngComm","2016","18","48","9316","","10.1039/C6CE01970F","","","0.71073","MoKα","","0.1066","0.0855","","","0.2207","0.2399","","","","","","1.019","","","","has coordinates","190079","2020-10-21","18:00:00",""
"7227016","16.4579","0.0008","7.6329","0.0003","15.1328","0.0007","90","","115.053","0.001","90","","1722.15","0.13","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H18 Co N2 O6 -","- C18 H18 Co N2 O6 -","- C72 H72 Co4 N8 O24 -","4","1","","Wang, Xiuli; Zhao, Jing; Le, Mao; Lin, Hongyan; Liu, Guocheng; Wang, Xiang","A series of bis(pyridyl)-bis(amide)-modulated metal-1,2-phenylenediacetate coordination polymers: construction and selective dye adsorption","CrystEngComm","2016","18","48","9316","","10.1039/C6CE01970F","","","0.71073","MoKα","","0.0297","0.0269","","","0.0781","0.0799","","","","","","1.048","","","","has coordinates","190079","2020-10-21","18:00:00",""
"7227017","25.879","0.016","14.409","0.008","16.235","0.01","90","","105.016","0.01","90","","5847","6","296","2","296.15","","","","","","","","","7","C 1 2/m 1","-C 2y","12","","","","- C6 H94 Bi2 Mn6 N3 O113 W18 -","- C6 Bi2 Mn6 N3 O113 W18 -","- C12 Bi4 Mn12 N6 O226 W36 -","2","0.25","","Jia, Jiage; Zhang, Yanhui; Zhang, Panpan; Ma, Pengtao; Zhang, Dongdi; Wang, Jingping; Niu, Jingyang","Synthesis and characterization of a series of novel polyoxometalate-supported carbonyl manganese derivatives","RSC Adv.","2016","","","","","10.1039/C6RA23547F","","","0.71073","MoKα","","0.0998","0.0516","","","0.1156","0.1385","","","","","","1.01","","","","has coordinates","188033","2020-10-21","18:00:00",""
"7227018","16.4654","0.0012","14.4945","0.001","25.9004","0.0018","90","","105.381","0.001","90","","5959.9","0.7","296","2","296.15","","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C14 H116 Mn6 N2 Na6 O118 Sb2 W18 -","- C14 H24 Mn6 N2 Na6 O118 Sb2 W18 -","- C28 H48 Mn12 N4 Na12 O236 Sb4 W36 -","2","0.5","","Jia, Jiage; Zhang, Yanhui; Zhang, Panpan; Ma, Pengtao; Zhang, Dongdi; Wang, Jingping; Niu, Jingyang","Synthesis and characterization of a series of novel polyoxometalate-supported carbonyl manganese derivatives","RSC Adv.","2016","","","","","10.1039/C6RA23547F","","","0.71073","MoKα","","0.0502","0.0333","","","0.0708","0.077","","","","","","1.025","","","","has coordinates","188033","2020-10-21","18:00:00",""
"7227019","12.581","0.0019","13.282","0.002","19.926","0.003","77.307","0.002","86.633","0.002","63.697","0.002","2909.1","0.8","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C14 H92 Mn7.5 N2 O106 Sb2 W18.5 -","- C14 H24 Mn7.5 N2 O106 Sb2 W18.5 -","- C14 H24 Mn7.5 N2 O106 Sb2 W18.5 -","1","0.5","","Jia, Jiage; Zhang, Yanhui; Zhang, Panpan; Ma, Pengtao; Zhang, Dongdi; Wang, Jingping; Niu, Jingyang","Synthesis and characterization of a series of novel polyoxometalate-supported carbonyl manganese derivatives","RSC Adv.","2016","","","","","10.1039/C6RA23547F","","","0.71073","MoKα","","0.0505","0.0397","","","0.0977","0.1028","","","","","","1.032","","","","has coordinates,has disorder","188033","2020-10-21","18:00:00",""
"7227020","12.663","0.003","13.412","0.003","20.342","0.005","76.453","0.004","85.953","0.004","63.542","0.004","3004.6","1.2","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C14 H92 Bi2 Mn7.5 N2 O106 W18.5 -","- C14 H24 Bi2 Mn7.5 N2 O106 W18.5 -","- C14 H24 Bi2 Mn7.5 N2 O106 W18.5 -","1","0.5","","Jia, Jiage; Zhang, Yanhui; Zhang, Panpan; Ma, Pengtao; Zhang, Dongdi; Wang, Jingping; Niu, Jingyang","Synthesis and characterization of a series of novel polyoxometalate-supported carbonyl manganese derivatives","RSC Adv.","2016","","","","","10.1039/C6RA23547F","","","0.71073","MoKα","","0.1129","0.0591","","","0.1249","0.1498","","","","","","0.951","","","","has coordinates,has disorder","188033","2020-10-21","18:00:00",""
"7227021","10.099","0.0004","10.099","0.0004","8.858","0.0005","90","","90","","120","","782.39","0.06","296","2","296","2","","","","","","","","5","R 3 m :H","R 3 -2""","160","","","","- B6 Br0.67 Cl0.33 K3 O10 -","- B6 Br0.651 Cl0.349 K3 O10 -","- B18 Br1.953 Cl1.047 K9 O30 -","3","0.166667","","Xia, Mingjun; Hou, Zhanyu; Yang, Yi; Xu, Bo; Liu, Lijuan; Wang, Xiaoyang; Lin, Zheshuai; Li, R.K.; Chen, Chuangtian","Chemical engineering of mixed halide hexaborates as nonlinear optical materials","RSC Adv.","2016","","","","","10.1039/C6RA21584J","","","0.71073","MoKα","","0.0202","0.02","","","0.0483","0.0484","","","","","","1.126","","","","has coordinates","188034","2020-10-21","18:00:00",""
"7227022","10.1051","0.0006","10.1051","0.0006","8.855","0.0007","90","","90","","120","","783.07","0.09","296","2","296","2","","","","","","","","5","R 3 m :H","R 3 -2""","160","","","","- B6 Br0.79 Cl0.21 K3 O10 -","- B6 Br0.792 Cl0.208 K3 O10 -","- B18 Br2.376 Cl0.624 K9 O30 -","3","0.166667","","Xia, Mingjun; Hou, Zhanyu; Yang, Yi; Xu, Bo; Liu, Lijuan; Wang, Xiaoyang; Lin, Zheshuai; Li, R.K.; Chen, Chuangtian","Chemical engineering of mixed halide hexaborates as nonlinear optical materials","RSC Adv.","2016","","","","","10.1039/C6RA21584J","","","0.71073","MoKα","","0.0163","0.0163","","","0.0392","0.0392","","","","","","1.156","","","","has coordinates","188035","2020-10-21","18:00:00",""
"7227023","10.0938","0.0004","10.0938","0.0004","8.8593","0.0005","90","","90","","120","","781.7","0.06","296","2","296","2","","","","","","","","5","R 3 m :H","R 3 -2""","160","","","","- B6 Br0.53 Cl0.47 K3 O10 -","- B6 Br0.527 Cl0.473 K3 O10 -","- B18 Br1.581 Cl1.419 K9 O30 -","3","0.166667","","Xia, Mingjun; Hou, Zhanyu; Yang, Yi; Xu, Bo; Liu, Lijuan; Wang, Xiaoyang; Lin, Zheshuai; Li, R.K.; Chen, Chuangtian","Chemical engineering of mixed halide hexaborates as nonlinear optical materials","RSC Adv.","2016","","","","","10.1039/C6RA21584J","","","0.71073","MoKα","","0.0127","0.0125","","","0.0325","0.0328","","","","","","1.009","","","","has coordinates","188036","2020-10-21","18:00:00",""
"7227024","10.0855","0.0004","10.0855","0.0004","8.8613","0.0004","90","","90","","120","","780.59","0.06","296","2","296","2","","","","","","","","5","R 3 m :H","R 3 -2""","160","","","","- B6 Br0.25 Cl0.75 K3 O10 -","- B6 Br0.254 Cl0.746 K3 O10 -","- B18 Br0.762 Cl2.238 K9 O30 -","3","0.166667","","Xia, Mingjun; Hou, Zhanyu; Yang, Yi; Xu, Bo; Liu, Lijuan; Wang, Xiaoyang; Lin, Zheshuai; Li, R.K.; Chen, Chuangtian","Chemical engineering of mixed halide hexaborates as nonlinear optical materials","RSC Adv.","2016","","","","","10.1039/C6RA21584J","","","0.71073","MoKα","","0.0139","0.0137","","","0.0337","0.0342","","","","","","1.119","","","","has coordinates","188037","2020-10-21","18:00:00",""
"7227025","10.0907","0.0004","10.0907","0.0004","8.8573","0.0005","90","","90","","120","","781.04","0.06","296","2","296","2","","","","","","","","5","R 3 m :H","R 3 -2""","160","","","","- B6 Br0.43 Cl0.57 K3 O10 -","- B6 Br0.43 Cl0.57 K3 O10 -","- B18 Br1.29 Cl1.71 K9 O30 -","3","0.166667","","Xia, Mingjun; Hou, Zhanyu; Yang, Yi; Xu, Bo; Liu, Lijuan; Wang, Xiaoyang; Lin, Zheshuai; Li, R.K.; Chen, Chuangtian","Chemical engineering of mixed halide hexaborates as nonlinear optical materials","RSC Adv.","2016","","","","","10.1039/C6RA21584J","","","0.71073","MoKα","","0.0153","0.0151","","","0.0368","0.0369","","","","","","1.081","","","","has coordinates","188038","2020-10-21","18:00:00",""
"7227026","10.0748","0.0007","10.0748","0.0007","8.8641","0.001","90","","90","","120","","779.18","0.12","296","2","296","2","","","","","","","","4","R 3 m :H","R 3 -2""","160","","","","- B6 Cl K3 O10 -","- B6 Cl K3 O10 -","- B18 Cl3 K9 O30 -","3","0.166667","","Xia, Mingjun; Hou, Zhanyu; Yang, Yi; Xu, Bo; Liu, Lijuan; Wang, Xiaoyang; Lin, Zheshuai; Li, R.K.; Chen, Chuangtian","Chemical engineering of mixed halide hexaborates as nonlinear optical materials","RSC Adv.","2016","","","","","10.1039/C6RA21584J","","","0.71073","MoKα","","0.0146","0.0146","","","0.0403","0.0403","","","","","","1.153","","","","has coordinates","188039","2020-10-21","18:00:00",""
"7227027","10.259","0.0006","10.642","0.0008","11.9099","0.0006","68.806","0.008","64.658","0.007","77.909","0.009","1093.35","0.14","113","2","113","2","","","","","","","","5","P -1","-P 1","2","","","","- C23 H30 N3 O2 S -","- C23 H30 N3 O2 S -","- C46 H60 N6 O4 S2 -","2","1","","Zhu, Yujie; Guo, Xiaofeng; Fan, Zhijin; Chen, Lai; Ma, Liu Yong; Wang, Hai-Xia; Wei, Yu; Xu, Xuan-Ming; Lin, Jianping; Bakulev, Vasiliy Alekseevich","Approach to Thiazole Containing Thiazole-Containing Tetrahydropyridines via Aza‒Rauhut‒Currier Reaction and Their Potent Biological Fungicidal and Insecticidal Activity","RSC Adv.","2016","","","","","10.1039/C6RA24342H","","","0.71073","MoKα","","0.0535","0.0485","","","0.1455","0.1488","","","","","","1.062","","","","has coordinates,has disorder","188040","2020-10-21","18:00:00",""
"7227028","10.588","0.002","10.777","0.002","12.326","0.003","76.88","0.03","77.78","0.03","72.35","0.03","1289.7","0.5","113","2","113","2","","","","","","","mushroom amanita muscaria","5","P -1","-P 1","2","spirocompound","Ethyl 9-benzyl-3-(tert-butyl)-4-oxo-2-thioxo-6-(m-tolyl)-1-thia-3-azaspiro[4.4]non-7-ene-7-car- Boxylate","","- C28 H31 N O3 S2 -","- C28 H31 N O3 S2 -","- C56 H62 N2 O6 S4 -","2","1","","Zhang, Jiayong; Zhang, Minxuan; Li, Yuming; Liu, Shuang; Miao, Zhiwei","Diastereoselective Synthesis of Cyclopentene Spiro-rhodanines Containing Three Contiguous Stereocenters via Phosphine-catalyzed [3+2] Cycloaddition or One-pot Sequential [3+2]/[3+2] Cycloaddition","RSC Adv.","2016","","","","","10.1039/C6RA23399F","","","0.71073","MoKα","","0.0538","0.0393","","","0.1063","0.1132","","","","","","1.013","","","","has coordinates","188041","2020-10-21","18:00:00",""
"7227029","14.042","0.009","18.453","0.011","17.33","0.011","90","","110.124","0.007","90","","4216","5","296","2","296","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C24 H15 Br3 Cu3 O15 -","- C24 H15 Br3 Cu3 O15 -","- C96 H60 Br12 Cu12 O60 -","4","0.5","","Cheng, Fujun; Wang, Haijun; Hua, Yinying; Cao, Haifei; Zhou, Bihang; Duan, Jingui; Jin, Wanqin","Halogen bonded supramolecular porous structures with a kgm layer","CrystEngComm","2016","18","48","9227","","10.1039/C6CE02247B","","","0.71073","MoKα","","0.1629","0.0869","","","0.1753","0.1925","","","","","","1.022","","","","has coordinates","190073","2020-10-21","18:00:00",""
"7227030","12.9017","0.0003","17.3862","0.0005","9.3722","0.0002","90","","100.322","0.003","90","","2068.27","0.09","100.01","0.1","100.01","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C21 H18 Br2 Cu2 N4 -","- C21 H18 Br2 Cu2 N4 -","- C84 H72 Br8 Cu8 N16 -","4","1","","Dong, Yu-Bin; Zhu, Neng-Xiu; Zhao, Chao-Wei; Yang, Jing; Wang, Xue-Ru; Ma, Jian-Ping","Synthesis, structure and multifunctional catalytic properties of Cu(I)-coordination polymer with outer-hanging CuBr2","RSC Adv.","2016","","","","","10.1039/C6RA20767G","","","0.71073","MoKα","","0.0547","0.0383","","","0.0848","0.0928","","","","","","1.033","","","","has coordinates","188349","2020-10-21","18:00:00",""
"7227031","10.749","0.003","10.987","0.003","11.774","0.003","68.908","0.004","64.794","0.004","76.046","0.004","1167.4","0.5","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C23 H22 Br2 Cu2 N4 -","- C23 H22 Br2 Cu2 N4 -","- C46 H44 Br4 Cu4 N8 -","2","1","","Dong, Yu-Bin; Zhu, Neng-Xiu; Zhao, Chao-Wei; Yang, Jing; Wang, Xue-Ru; Ma, Jian-Ping","Synthesis, structure and multifunctional catalytic properties of Cu(I)-coordination polymer with outer-hanging CuBr2","RSC Adv.","2016","","","","","10.1039/C6RA20767G","","","0.71073","MoKα","","0.1236","0.0513","","","0.0853","0.1014","","","","","","0.783","","","","has coordinates,has disorder","188349","2020-10-21","18:00:00",""
"7227032","14.43","0.009","10.33","0.009","8.417","0.007","90","","90","","90","","1254.7","1.7","273","2","273","2","","","","","","","","5","C m c m","-C 2c 2","63","","","","- C20 H48 Cl4 N20 S12 -","- C20 H48 Cl4 N20 S12 -","- C20 H48 Cl4 N20 S12 -","1","0.0625","","Liu, Yu-Ling; Wang, Zhongxia; Han, Xiang-Bin; Sun, Yu-Ling; Pryor, Donald E.","Orientational ordering of guests induced structural phase transition coupled with switchable dielectric property in a host-guest crystal: bis(Thiourea) thiazolium chloride","RSC Adv.","2016","","","","","10.1039/C6RA23952H","","","0.71073","MoKα","","0.0728","0.0644","","","0.1861","0.1945","","","","","","1.128","","","","has coordinates","188350","2020-10-21","18:00:00",""
"7227033","14.311","0.01","10.228","0.007","8.393","0.006","90","","90","","90","","1228.5","1.5","133","2","133","2","","","","","","","","5","P m c n","-P 2n 2a","62","","","","- C5 H12 Cl N5 S3 -","- C5 H12 Cl N5 S3 -","- C20 H48 Cl4 N20 S12 -","4","0.5","","Liu, Yu-Ling; Wang, Zhongxia; Han, Xiang-Bin; Sun, Yu-Ling; Pryor, Donald E.","Orientational ordering of guests induced structural phase transition coupled with switchable dielectric property in a host-guest crystal: bis(Thiourea) thiazolium chloride","RSC Adv.","2016","","","","","10.1039/C6RA23952H","","","0.71073","MoKα","","0.0622","0.0517","","","0.1183","0.1239","","","","","","1.224","","","","has coordinates","188350","2020-10-21","18:00:00",""
"7227034","8.1438","0.0007","9.3009","0.0007","13.943","0.0013","76.176","0.007","88.325","0.007","78.354","0.007","1004.2","0.15","293.1","0.5","293.1","0.5","","","","","","","","5","P -1","-P 1","2","","","","- C18 H17 Br N2 O2 -","- C18 H17 Br N2 O2 -","- C36 H34 Br2 N4 O4 -","2","1","","Nongrum, Ridaphun; Nongthombam, Geetmani Singh; Kharkongor, Mattilang; Rani, Jims World Star; Rahman, Noimur; Kathing, Chingrishon; Myrboh, Bekington; Nongkhlaw, Rishanlang","A Nano-organo catalyzed route towards the efficient synthesis of benzo[b]pyran derivatives under Ultrasonic irradiation.","RSC Adv.","2016","","","","","10.1039/C6RA24108E","","","0.71073","MoKα","","0.1026","0.0595","","","0.1356","0.1602","","","","","","1.0073","","","","has coordinates","188351","2020-10-21","18:00:00",""
"7227035","14.2687","0.001","8.0116","0.0007","16.751","0.0011","90","","96.487","0.006","90","","1902.6","0.2","294.12","0.18","294.12","0.18","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C21 H25 N O4 -","- C21 H25 N O4 -","- C84 H100 N4 O16 -","4","1","","Nongrum, Ridaphun; Nongthombam, Geetmani Singh; Kharkongor, Mattilang; Rani, Jims World Star; Rahman, Noimur; Kathing, Chingrishon; Myrboh, Bekington; Nongkhlaw, Rishanlang","A Nano-organo catalyzed route towards the efficient synthesis of benzo[b]pyran derivatives under Ultrasonic irradiation.","RSC Adv.","2016","","","","","10.1039/C6RA24108E","","","0.71073","MoKα","","0.0822","0.0607","","","0.1627","0.1804","","","","","","1.0267","","","","has coordinates","188351","2020-10-21","18:00:00",""
"7227036","8.6633","0.0007","10.4989","0.0011","10.9588","0.001","99.683","0.008","100.554","0.007","92.904","0.007","962.52","0.16","294.3","0.3","294.3","0.3","","","","","","","","5","P -1","-P 1","2","","","","- C21 H16 Br N O5 -","- C21 H16 Br N O5 -","- C42 H32 Br2 N2 O10 -","2","1","","Nongrum, Ridaphun; Nongthombam, Geetmani Singh; Kharkongor, Mattilang; Rani, Jims World Star; Rahman, Noimur; Kathing, Chingrishon; Myrboh, Bekington; Nongkhlaw, Rishanlang","A Nano-organo catalyzed route towards the efficient synthesis of benzo[b]pyran derivatives under Ultrasonic irradiation.","RSC Adv.","2016","","","","","10.1039/C6RA24108E","","","0.71073","MoKα","","0.0762","0.045","","","0.1033","0.1219","","","","","","1.0226","","","","has coordinates","188351","2020-10-21","18:00:00",""
"7227037","6.957","0.0006","9.0926","0.001","12.0788","0.0012","110.282","0.009","100.464","0.007","96.922","0.008","690.69","0.13","150","0.1","150","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C10 H10 Cl3 N O4 S -","- C10 H10 Cl3 N O4 S -","- C20 H20 Cl6 N2 O8 S2 -","2","1","","Ávila, Eloah Pereira; Souza, Isabella; de Oliveira, Alline B. V.; Kartnaller, Vinicius; Cajaíba, João; de Souza, Rodrigo Octavio M. A.; Corrêa, Charlane Cimini; Amarante, Giovanni Wilson","Catalyst Free Decarboxylative Trichloromethylation of Aldimines","RSC Adv.","2016","","","","","10.1039/C6RA23936F","","","0.71073","MoKα","","0.0651","0.0402","","","0.0746","0.0853","","","","","","1.027","","","","has coordinates","188352","2020-10-21","18:00:00",""
"7227038","4.6432","0.00008","34.6471","0.0006","7.77338","0.00014","90","","93.4634","0.0009","90","","1248.25","0.04","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C26 H30 Br2 N4 O2 -","- C26 H30 Br2 N4 O2 -","- C52 H60 Br4 N8 O4 -","2","0.5","","Ashizawa, Minoru; Hasegawa, Tsukasa; Kawauchi, Susumu; Masunaga, Hiroyasu; Hikima, Takaaki; Sato, Hiroyasu; Matsumoto, Hidetoshi","Structure-Property Relationship of Two Structural Isomers of Thiophene-Flanked Diazaisoindigo on Carrier-Transport Properties","RSC Adv.","2016","","","","","10.1039/C6RA17424H","","","1.54187","CuKα","","0.0475","0.0436","","","0.1432","0.146","","","","","","0.945","","","","has coordinates","188353","2020-10-21","18:00:00",""
"7227039","5.02134","0.00009","9.79352","0.00018","16.0988","0.0003","99.8742","0.001","98.6417","0.0011","101.485","0.001","750.27","0.02","296","","296","","","","","","","","","5","P -1","-P 1","2","","","","- C34 H36 N4 O2 S2 -","- C34 H36 N4 O2 S2 -","- C34 H36 N4 O2 S2 -","1","0.5","","Ashizawa, Minoru; Hasegawa, Tsukasa; Kawauchi, Susumu; Masunaga, Hiroyasu; Hikima, Takaaki; Sato, Hiroyasu; Matsumoto, Hidetoshi","Structure-Property Relationship of Two Structural Isomers of Thiophene-Flanked Diazaisoindigo on Carrier-Transport Properties","RSC Adv.","2016","","","","","10.1039/C6RA17424H","","","1.54187","CuKα","","0.052","0.0474","","","0.1286","0.1362","","","","","","1.154","","","","has coordinates,has disorder","188353","2020-10-21","18:00:00",""
"7227040","14.008","0.00015","5.00611","0.00006","21.3879","0.0003","90","","104.373","0.0012","90","","1452.89","0.03","93","","93","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C34 H36 N4 O2 S2 -","- C34 H36 N4 O2 S2 -","- C68 H72 N8 O4 S4 -","2","0.5","","Ashizawa, Minoru; Hasegawa, Tsukasa; Kawauchi, Susumu; Masunaga, Hiroyasu; Hikima, Takaaki; Sato, Hiroyasu; Matsumoto, Hidetoshi","Structure-Property Relationship of Two Structural Isomers of Thiophene-Flanked Diazaisoindigo on Carrier-Transport Properties","RSC Adv.","2016","","","","","10.1039/C6RA17424H","","","1.54187","CuKα","","0.0502","0.0467","","","0.1323","0.1359","","","","","","1.056","","","","has coordinates","188353","2020-10-21","18:00:00",""
"7227043","7.5189","0.0007","8.8078","0.0007","13.135","0.001","87.752","0.006","89.74","0.007","80.065","0.007","856.16","0.12","130","2","130.01","0.1","","","","","","","","3","P -1","-P 1","2","","","","- C22 H14 N5 -","- C22 H14 N5 -","- C44 H28 N10 -","2","1","","Sutton, Ashley L.; Abrahams, Brendan F.; D'Alessandro, Deanna M.; Hudson, Timothy A.; Robson, Richard; Usov, Pavel M.","Structural and optical investigations of charge transfer complexes involving the radical anions of TCNQ and F4TCNQ","CrystEngComm","2016","18","46","8906","","10.1039/C6CE02015A","","","1.5418","CuKα","","0.0722","0.0619","","","0.1713","0.1793","","","","","","1.031","","","","has coordinates","190067","2020-10-21","18:00:00",""
"7227044","8.3571","0.0003","15.9841","0.0005","12.6113","0.0005","90","","93.225","0.003","90","","1681.96","0.1","130","2","130.01","0.1","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C22 H14 N5 -","- C22 H14 N5 -","- C88 H56 N20 -","4","1","","Sutton, Ashley L.; Abrahams, Brendan F.; D'Alessandro, Deanna M.; Hudson, Timothy A.; Robson, Richard; Usov, Pavel M.","Structural and optical investigations of charge transfer complexes involving the radical anions of TCNQ and F4TCNQ","CrystEngComm","2016","18","46","8906","","10.1039/C6CE02015A","","","1.5418","CuKα","","0.0494","0.0403","","","0.1095","0.1174","","","","","","1.07","","","","has coordinates","190067","2020-10-21","18:00:00",""
"7227045","11.9675","0.0003","10.4959","0.0003","14.5659","0.0003","90","","92.307","0.002","90","","1828.14","0.08","130","2","130","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H10 F4 N5 -","- C22 H10 F4 N5 -","- C88 H40 F16 N20 -","4","1","","Sutton, Ashley L.; Abrahams, Brendan F.; D'Alessandro, Deanna M.; Hudson, Timothy A.; Robson, Richard; Usov, Pavel M.","Structural and optical investigations of charge transfer complexes involving the radical anions of TCNQ and F4TCNQ","CrystEngComm","2016","18","46","8906","","10.1039/C6CE02015A","","","1.5418","CuKα","","0.0721","0.0646","","","0.1812","0.1891","","","","","","1.085","","","","has coordinates","190067","2020-10-21","18:00:00",""
"7227046","7.1083","0.0002","25.3703","0.0005","12.9159","0.0003","90","","100.474","0.002","90","","2290.44","0.1","130","2","130","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C25 H21 F4 N6 O2 -","- C25 H21 F4 N6 O2 -","- C100 H84 F16 N24 O8 -","4","1","","Sutton, Ashley L.; Abrahams, Brendan F.; D'Alessandro, Deanna M.; Hudson, Timothy A.; Robson, Richard; Usov, Pavel M.","Structural and optical investigations of charge transfer complexes involving the radical anions of TCNQ and F4TCNQ","CrystEngComm","2016","18","46","8906","","10.1039/C6CE02015A","","","1.54184","CuKα","","0.0417","0.0338","","","0.085","0.0902","","","","","","1.028","","","","has coordinates","190067","2020-10-21","18:00:00",""
"7227047","7.088","0.0003","12.1413","0.0006","13.3964","0.0007","110.968","0.005","93.792","0.004","103.933","0.004","1029.99","0.1","130","2","130","2","","","","","","","","4","P -1","-P 1","2","","","","- C25 H17 N6 O2 -","- C25 H17 N6 O2 -","- C50 H34 N12 O4 -","2","1","","Sutton, Ashley L.; Abrahams, Brendan F.; D'Alessandro, Deanna M.; Hudson, Timothy A.; Robson, Richard; Usov, Pavel M.","Structural and optical investigations of charge transfer complexes involving the radical anions of TCNQ and F4TCNQ","CrystEngComm","2016","18","46","8906","","10.1039/C6CE02015A","","","1.5418","CuKα","","0.0476","0.0444","","","0.1229","0.1263","","","","","","1.056","","","","has coordinates","190067","2020-10-21","18:00:00",""
"7227048","7.3694","0.0003","11.4503","0.0005","14.4977","0.0008","66.999","0.004","82.796","0.004","88.216","0.003","1116.98","0.1","130","2","130","2","","","","","","","","4","P -1","-P 1","2","","","","- C25 H25 N6 O2 -","- C25 H25 N6 O2 -","- C50 H50 N12 O4 -","2","1","","Sutton, Ashley L.; Abrahams, Brendan F.; D'Alessandro, Deanna M.; Hudson, Timothy A.; Robson, Richard; Usov, Pavel M.","Structural and optical investigations of charge transfer complexes involving the radical anions of TCNQ and F4TCNQ","CrystEngComm","2016","18","46","8906","","10.1039/C6CE02015A","","","1.5418","CuKα","","0.0579","0.0497","","","0.1527","0.1572","","","","","","1.122","","","","has coordinates","190067","2020-10-21","18:00:00",""
"7227049","7.8219","0.0004","12.454","0.0005","13.5137","0.0006","117.204","0.004","90.126","0.004","104.916","0.005","1120.3","0.1","130","2","130","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C26 H23 N6 O3 -","- C26 H23 N6 O2.995 -","- C52 H46 N12 O5.99 -","2","1","","Sutton, Ashley L.; Abrahams, Brendan F.; D'Alessandro, Deanna M.; Hudson, Timothy A.; Robson, Richard; Usov, Pavel M.","Structural and optical investigations of charge transfer complexes involving the radical anions of TCNQ and F4TCNQ","CrystEngComm","2016","18","46","8906","","10.1039/C6CE02015A","","","1.5418","CuKα","","0.0643","0.0547","","","0.1385","0.1457","","","","","","1.083","","","","has coordinates,has disorder","190067","2020-10-21","18:00:00",""
"7227050","7.3613","0.0002","37.7897","0.0007","7.9918","0.0002","90","","115.71","0.004","90","","2003.08","0.11","130","2","130","2","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C24 H15 N6 O2 -","- C24 H15 N6 O2 -","- C96 H60 N24 O8 -","4","1","","Sutton, Ashley L.; Abrahams, Brendan F.; D'Alessandro, Deanna M.; Hudson, Timothy A.; Robson, Richard; Usov, Pavel M.","Structural and optical investigations of charge transfer complexes involving the radical anions of TCNQ and F4TCNQ","CrystEngComm","2016","18","46","8906","","10.1039/C6CE02015A","","","1.5418","CuKα","","0.0455","0.0382","","","0.0957","0.1004","","","","","","1.1","","","","has coordinates","190067","2020-10-21","18:00:00",""
"7227051","9.6649","0.0003","7.056","0.0002","16.1763","0.0006","90","","96.103","0.003","90","","1096.9","0.06","130","2","130","2","","","","","","","","3","P 1 21/m 1","-P 2yb","11","","","","- C26 H23 N6 -","- C26 H23 N6 -","- C52 H46 N12 -","2","0.5","","Sutton, Ashley L.; Abrahams, Brendan F.; D'Alessandro, Deanna M.; Hudson, Timothy A.; Robson, Richard; Usov, Pavel M.","Structural and optical investigations of charge transfer complexes involving the radical anions of TCNQ and F4TCNQ","CrystEngComm","2016","18","46","8906","","10.1039/C6CE02015A","","","1.5418","CuKα","","0.063","0.0563","","","0.1452","0.1568","","","","","","1.062","","","","has coordinates","190067","2020-10-21","18:00:00",""
"7227052","6.6808","0.0002","13.9762","0.0005","18.9142","0.0007","96.805","0.003","100.163","0.003","95.734","0.003","1712.87","0.1","130","2","130","2","","","","","","","","3","P -1","-P 1","2","","","","- C40 H28 N12 -","- C40 H28 N12 -","- C80 H56 N24 -","2","1","","Sutton, Ashley L.; Abrahams, Brendan F.; D'Alessandro, Deanna M.; Hudson, Timothy A.; Robson, Richard; Usov, Pavel M.","Structural and optical investigations of charge transfer complexes involving the radical anions of TCNQ and F4TCNQ","CrystEngComm","2016","18","46","8906","","10.1039/C6CE02015A","","","1.54184","CuKα","","0.0428","0.0344","","","0.0915","0.0964","","","","","","1.052","","","","has coordinates","190067","2020-10-21","18:00:00",""
"7227053","7.1455","0.0004","9.884","0.0007","16.27","0.0009","82.795","0.005","89.046","0.005","82.02","0.006","1128.97","0.12","130","2","130","2","","","","","","","","4","P -1","-P 1","2","","","","- C26 H19 F4 N6 -","- C26 H19 F4 N6 -","- C52 H38 F8 N12 -","2","1","","Sutton, Ashley L.; Abrahams, Brendan F.; D'Alessandro, Deanna M.; Hudson, Timothy A.; Robson, Richard; Usov, Pavel M.","Structural and optical investigations of charge transfer complexes involving the radical anions of TCNQ and F4TCNQ","CrystEngComm","2016","18","46","8906","","10.1039/C6CE02015A","","","1.5418","CuKα","","0.0973","0.0781","","","0.2886","0.3038","","","","","","1.245","","","","has coordinates","190067","2020-10-21","18:00:00",""
"7227054","7.7053","0.0005","10.2744","0.0007","12.1391","0.0009","90.196","0.006","97.753","0.006","97.1","0.006","944.74","0.11","130","2","130.01","0.1","","","","","","","","3","P -1","-P 1","2","","","","- C50 H30 N10 -","- C50 H30 N10 -","- C50 H30 N10 -","1","0.5","","Sutton, Ashley L.; Abrahams, Brendan F.; D'Alessandro, Deanna M.; Hudson, Timothy A.; Robson, Richard; Usov, Pavel M.","Structural and optical investigations of charge transfer complexes involving the radical anions of TCNQ and F4TCNQ","CrystEngComm","2016","18","46","8906","","10.1039/C6CE02015A","","","1.5418","CuKα","","0.0594","0.046","","","0.1203","0.1313","","","","","","1.01","","","","has coordinates","190067","2020-10-21","18:00:00",""
"7227055","13.555","0.0014","26.637","0.003","28.386","0.003","90","","99.374","0.002","90","","10112.3","1.9","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C96 H71.5 Co5 N25.5 O14.5 -","- C96 H66 Co5 N24 O6 -","- C384 H264 Co20 N96 O24 -","4","1","","Feng, S. S.; Zheng, J. F.; Lu, L. P.; Lu, H. G.; Gao, Z. Q.; Dong, Y. H.","Metal-responsive activation of C‒O and C‒C bonds of an aromatic vicinal diol in hydrothermal conditions: synthesis, structure, mechanism and magnetic properties","CrystEngComm","2016","18","47","9077","","10.1039/C6CE01708H","","","0.71073","MoKα","","0.2395","0.0637","","","0.1295","0.1641","","","","","","0.642","","","","has coordinates","190096","2020-10-21","18:00:00",""
"7227056","41.0956","0.0015","24.8982","0.0009","28.2361","0.0011","90","","104.629","0.002","90","","27954.7","1.8","123","2","123","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C102 H87 Br4 Co5 N26 O11.5 -","- C102 H80 Br4 Co5 N26 O8 -","- C816 H640 Br32 Co40 N208 O64 -","8","1","","Feng, S. S.; Zheng, J. F.; Lu, L. P.; Lu, H. G.; Gao, Z. Q.; Dong, Y. H.","Metal-responsive activation of C‒O and C‒C bonds of an aromatic vicinal diol in hydrothermal conditions: synthesis, structure, mechanism and magnetic properties","CrystEngComm","2016","18","47","9077","","10.1039/C6CE01708H","","","0.71073","MoKα","","0.2717","0.11","","","0.261","0.3578","","","","","","0.96","","","","has coordinates","190096","2020-10-21","18:00:00",""
"7227057","13.241","0.003","26.889","0.005","28.423","0.006","90","","101.13","0.03","90","","9929","4","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C97 H73 Cl Co5 N24 O12 -","- C96 H66 Co5 N24 O6 -","- C384 H264 Co20 N96 O24 -","4","1","","Feng, S. S.; Zheng, J. F.; Lu, L. P.; Lu, H. G.; Gao, Z. Q.; Dong, Y. H.","Metal-responsive activation of C‒O and C‒C bonds of an aromatic vicinal diol in hydrothermal conditions: synthesis, structure, mechanism and magnetic properties","CrystEngComm","2016","18","47","9077","","10.1039/C6CE01708H","","","0.72","synchrotron","","0.0946","0.0693","","","0.2013","0.2236","","","","","","1.065","","","","has coordinates","190096","2020-10-21","18:00:00",""
"7227058","12.9691","0.0011","26.539","0.002","29.04","0.002","90","","104.905","0.007","90","","9658.9","1.3","123","2","123","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C96 H72 Cl4 Fe2 N24 O9 Zn3 -","- C96 H66 Cl4 Fe2 N24 O6 Zn3 -","- C384 H264 Cl16 Fe8 N96 O24 Zn12 -","4","1","","Feng, S. S.; Zheng, J. F.; Lu, L. P.; Lu, H. G.; Gao, Z. Q.; Dong, Y. H.","Metal-responsive activation of C‒O and C‒C bonds of an aromatic vicinal diol in hydrothermal conditions: synthesis, structure, mechanism and magnetic properties","CrystEngComm","2016","18","47","9077","","10.1039/C6CE01708H","","","0.71073","MoKα","","0.3355","0.1192","","","0.2639","0.3849","","","","","","0.963","","","","has coordinates","190096","2020-10-21","18:00:00",""
"7227059","10.9907","0.0011","14.3055","0.0015","18.0914","0.0019","72.806","0.006","87.022","0.006","72.711","0.006","2592.6","0.5","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C37 H41 Br4 Cl Cu N10 O2 -","- C37 H35 Br4 Cl Cu N10 -","- C74 H70 Br8 Cl2 Cu2 N20 -","2","1","","Feng, S. S.; Zheng, J. F.; Lu, L. P.; Lu, H. G.; Gao, Z. Q.; Dong, Y. H.","Metal-responsive activation of C‒O and C‒C bonds of an aromatic vicinal diol in hydrothermal conditions: synthesis, structure, mechanism and magnetic properties","CrystEngComm","2016","18","47","9077","","10.1039/C6CE01708H","","","0.71073","MoKα","","0.2313","0.1057","","","0.2536","0.3193","","","","","","0.982","","","","has coordinates","190096","2020-10-21","18:00:00",""
"7227060","15.327","0.003","15.327","0.003","25.887","0.005","90","","90","","90","","6081","2","100","2","100","2","","","","","","","","6","P 4/n c c","-P 4a 2ac","130","","","","- C57 H49 Cl Cu2 N18 O8 -","- C56 H48 Cl Cu2 N18 O6 -","- C224 H192 Cl4 Cu8 N72 O24 -","4","","","Feng, S. S.; Zheng, J. F.; Lu, L. P.; Lu, H. G.; Gao, Z. Q.; Dong, Y. H.","Metal-responsive activation of C‒O and C‒C bonds of an aromatic vicinal diol in hydrothermal conditions: synthesis, structure, mechanism and magnetic properties","CrystEngComm","2016","18","47","9077","","10.1039/C6CE01708H","","","0.72","synchrotron","","0.1662","0.1543","","","0.3389","0.3501","","","","","","1.678","","","","has coordinates","190096","2020-10-21","18:00:00",""
"7227063","7.3884","0.0007","11.2382","0.001","14.808","0.0013","94.017","0.005","96.891","0.005","109.057","0.005","1145.92","0.18","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C24 H18 N4 O9 -","- C24 H18 N4 O9 -","- C48 H36 N8 O18 -","2","1","","Tarai, Arup; Baruah, Jubaraj B.","Quaternary and senary sub-assemblies in cocrystals and salts of quinoline-4-carbaldoxime with aromatic carboxylic acids","CrystEngComm","2016","18","47","9095","","10.1039/C6CE02170K","","","0.71073","MoKα","","0.126","0.0515","","","0.1042","0.1284","","","","","","1","","","","has coordinates","190091","2020-10-21","18:00:00",""
"7227064","14.4119","0.0006","7.3071","0.0003","15.2855","0.0007","90","","106.646","0.003","90","","1542.25","0.12","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H13 N3 O5 -","- C17 H13 N3 O5 -","- C68 H52 N12 O20 -","4","1","","Tarai, Arup; Baruah, Jubaraj B.","Quaternary and senary sub-assemblies in cocrystals and salts of quinoline-4-carbaldoxime with aromatic carboxylic acids","CrystEngComm","2016","18","47","9095","","10.1039/C6CE02170K","","","0.71073","MoKα","","0.0707","0.0438","","","0.1166","0.135","","","","","","1.031","","","","has coordinates","190091","2020-10-21","18:00:00",""
"7227065","6.5509","0.0004","9.5558","0.0007","24.5384","0.0017","90","","91.662","0.004","90","","1535.44","0.18","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H13 N3 O5 -","- C17 H13 N3 O5 -","- C68 H52 N12 O20 -","4","1","","Tarai, Arup; Baruah, Jubaraj B.","Quaternary and senary sub-assemblies in cocrystals and salts of quinoline-4-carbaldoxime with aromatic carboxylic acids","CrystEngComm","2016","18","47","9095","","10.1039/C6CE02170K","","","0.71073","MoKα","","0.096","0.0553","","","0.1441","0.1713","","","","","","1.013","","","","has coordinates","190091","2020-10-21","18:00:00",""
"7227066","9.0241","0.0015","11.982","0.002","14.549","0.002","90","","107.874","0.019","90","","1497.2","0.4","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H14 N2 O4 -","- C17 H14 N2 O4 -","- C68 H56 N8 O16 -","4","1","","Tarai, Arup; Baruah, Jubaraj B.","Quaternary and senary sub-assemblies in cocrystals and salts of quinoline-4-carbaldoxime with aromatic carboxylic acids","CrystEngComm","2016","18","47","9095","","10.1039/C6CE02170K","","","0.71073","MoKα","","0.1722","0.0928","","","0.1547","0.1945","","","","","","1.063","","","","has coordinates","190091","2020-10-21","18:00:00",""
"7227067","3.9318","0.0005","11.7049","0.0015","16.914","0.002","99.084","0.008","94.248","0.008","94.176","0.008","763.7","0.17","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C18 H16 N2 O3 -","- C18 H16 N2 O3 -","- C36 H32 N4 O6 -","2","1","","Tarai, Arup; Baruah, Jubaraj B.","Quaternary and senary sub-assemblies in cocrystals and salts of quinoline-4-carbaldoxime with aromatic carboxylic acids","CrystEngComm","2016","18","47","9095","","10.1039/C6CE02170K","","","0.71073","MoKα","","0.1602","0.0555","","","0.1151","0.1705","","","","","","1.022","","","","has coordinates","190091","2020-10-21","18:00:00",""
"7227068","16.7216","0.0018","10.9118","0.0011","18.807","0.002","90","","113.093","0.006","90","","3156.6","0.6","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C17 H15 N2 O5.5 -","- C17 H15 N2 O5.5 -","- C136 H120 N16 O44 -","8","1","","Tarai, Arup; Baruah, Jubaraj B.","Quaternary and senary sub-assemblies in cocrystals and salts of quinoline-4-carbaldoxime with aromatic carboxylic acids","CrystEngComm","2016","18","47","9095","","10.1039/C6CE02170K","","","0.71073","MoKα","","0.0926","0.0514","","","0.1046","0.1204","","","","","","1.068","","","","has coordinates","206958","2020-10-21","18:00:00",""
"7227069","14.9671","0.0009","7.0737","0.0004","15.0978","0.0009","90","","96.54","0.004","90","","1588.04","0.16","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C17 H16 N2 O6 -","- C17 H16 N2 O6 -","- C68 H64 N8 O24 -","4","1","","Tarai, Arup; Baruah, Jubaraj B.","Quaternary and senary sub-assemblies in cocrystals and salts of quinoline-4-carbaldoxime with aromatic carboxylic acids","CrystEngComm","2016","18","47","9095","","10.1039/C6CE02170K","","","0.71073","MoKα","","0.1155","0.0541","","","0.1265","0.1535","","","","","","1.027","","","","has coordinates","190091","2020-10-21","18:00:00",""
"7227070","27.622","0.006","10.446","0.002","23.476","0.005","90","","107.661","0.003","90","","6454","2","113","2","113","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C49 H35 Br2 Cu F30 Gd N6 O14 -","- C49 H35 Br2 Cu F30 Gd N6 O14 -","- C196 H140 Br8 Cu4 F120 Gd4 N24 O56 -","4","0.5","","Yang, Meng; Sun, Juan; Guo, Jianni; Sun, Guifang; Li, Licun","Cu‒Ln compounds based on nitronyl nitroxide radicals: synthesis, structure, and magnetic and fluorescence properties","CrystEngComm","2016","18","48","9345","","10.1039/C6CE02049F","","","0.71073","MoKα","","0.0558","0.0494","","","0.1473","0.1551","","","","","","1.018","","","","has coordinates","190072","2020-10-21","18:00:00",""
"7227071","27.435","0.005","10.4861","0.0017","23.51","0.005","90","","107.52","0.004","90","","6450","2","113","2","113","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C49 H35 Br2 Cu Dy F30 N6 O14 -","- C49 H35 Br2 Cu Dy F30 N6 O14 -","- C196 H140 Br8 Cu4 Dy4 F120 N24 O56 -","4","0.5","","Yang, Meng; Sun, Juan; Guo, Jianni; Sun, Guifang; Li, Licun","Cu‒Ln compounds based on nitronyl nitroxide radicals: synthesis, structure, and magnetic and fluorescence properties","CrystEngComm","2016","18","48","9345","","10.1039/C6CE02049F","","","0.71073","MoKα","","0.0627","0.0498","","","0.1434","0.1524","","","","","","1.014","","","","has coordinates","190072","2020-10-21","18:00:00",""
"7227072","11.73","0.0008","14.9975","0.0013","16.8333","0.0013","82.081","0.005","71.866","0.004","79.621","0.005","2757.6","0.4","113","2","113","2","","","","","","","","8","P -1","-P 1","2","","","","- C37 H22 Br Cu F30 Gd N3 O13 -","- C37 H22 Br Cu F30 Gd N3 O13 -","- C74 H44 Br2 Cu2 F60 Gd2 N6 O26 -","2","1","","Yang, Meng; Sun, Juan; Guo, Jianni; Sun, Guifang; Li, Licun","Cu‒Ln compounds based on nitronyl nitroxide radicals: synthesis, structure, and magnetic and fluorescence properties","CrystEngComm","2016","18","48","9345","","10.1039/C6CE02049F","","","0.71073","MoKα","","0.0622","0.0499","","","0.1339","0.1475","","","","","","1.021","","","","has coordinates","190072","2020-10-21","18:00:00",""
"7227073","17.578","0.004","14.131","0.003","22.056","0.004","90","","106.7","0.03","90","","5248","2","113","2","113","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C37 H22 Br Cu Dy F30 N3 O13 -","- C37 H22 Br Cu Dy F30 N3 O13 -","- C148 H88 Br4 Cu4 Dy4 F120 N12 O52 -","4","1","","Yang, Meng; Sun, Juan; Guo, Jianni; Sun, Guifang; Li, Licun","Cu‒Ln compounds based on nitronyl nitroxide radicals: synthesis, structure, and magnetic and fluorescence properties","CrystEngComm","2016","18","48","9345","","10.1039/C6CE02049F","","","0.71073","MoKα","","0.0558","0.0465","","","0.1309","0.1391","","","","","","1.012","","","","has coordinates","190072","2020-10-21","18:00:00",""
"7227074","14.835","0.003","19.359","0.004","18.279","0.004","90","","100.87","0.03","90","","5155.4","1.9","113","2","113","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C37 H22 Br Cu F30 La N3 O13 -","- C37 H22 Br Cu F30 La N3 O13 -","- C148 H88 Br4 Cu4 F120 La4 N12 O52 -","4","1","","Yang, Meng; Sun, Juan; Guo, Jianni; Sun, Guifang; Li, Licun","Cu‒Ln compounds based on nitronyl nitroxide radicals: synthesis, structure, and magnetic and fluorescence properties","CrystEngComm","2016","18","48","9345","","10.1039/C6CE02049F","","","0.71073","MoKα","","0.0654","0.0485","","","0.1237","0.137","","","","","","1.005","","","","has coordinates","190072","2020-10-21","18:00:00",""
"7227075","14.802","0.002","19.305","0.002","18.193","0.002","90","","100.899","0.004","90","","5104.9","1","113","2","113","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C37 H22 Br Cu F30 N3 O13 Pr -","- C37 H22 Br Cu F30 N3 O13 Pr -","- C148 H88 Br4 Cu4 F120 N12 O52 Pr4 -","4","1","","Yang, Meng; Sun, Juan; Guo, Jianni; Sun, Guifang; Li, Licun","Cu–Ln compounds based on nitronyl nitroxide radicals: synthesis, structure, and magnetic and fluorescence properties","CrystEngComm","2016","18","48","9345","","10.1039/C6CE02049F","","","0.71073","MoKα","","0.0343","0.0268","","","0.071","0.0725","","","","","","1.02","","","","has coordinates","288245","2023-12-12","10:28:29",""
"7227076","27.231","0.006","10.521","0.002","23.519","0.005","90","","107.426","0.003","90","","6429","2","113","2","113","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C49 H35 Br2 Cu F30 N6 O14 Tb -","- C49 H35 Br2 Cu F30 N6 O14 Tb -","- C196 H140 Br8 Cu4 F120 N24 O56 Tb4 -","4","0.5","","Yang, Meng; Sun, Juan; Guo, Jianni; Sun, Guifang; Li, Licun","Cu‒Ln compounds based on nitronyl nitroxide radicals: synthesis, structure, and magnetic and fluorescence properties","CrystEngComm","2016","18","48","9345","","10.1039/C6CE02049F","","","0.71073","MoKα","","0.053","0.0467","","","0.1411","0.1489","","","","","","1.023","","","","has coordinates","190072","2020-10-21","18:00:00",""
"7227077","17.6067","0.0018","14.1422","0.001","22.0961","0.0017","90","","106.795","0.005","90","","5267.2","0.8","113","2","113","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C37 H22 Br Cu F30 N3 O13 Tb -","- C37 H22 Br Cu F30 N3 O13 Tb -","- C148 H88 Br4 Cu4 F120 N12 O52 Tb4 -","4","1","","Yang, Meng; Sun, Juan; Guo, Jianni; Sun, Guifang; Li, Licun","Cu‒Ln compounds based on nitronyl nitroxide radicals: synthesis, structure, and magnetic and fluorescence properties","CrystEngComm","2016","18","48","9345","","10.1039/C6CE02049F","","","0.71073","MoKα","","0.0388","0.0368","","","0.1258","0.1277","","","","","","1.019","","","","has coordinates","190072","2020-10-21","18:00:00",""
"7227078","10.638","0.0003","11.0224","0.0004","11.0417","0.0004","85.008","0.002","68.905","0.002","81.393","0.002","1193.57","0.07","293","","293","","","","","","","","","5","P -1","-P 1","2","","","","- C52 H34 Ho2 N6 O14 -","- C52 H34 Ho2 N6 O14 -","- C52 H34 Ho2 N6 O14 -","1","0.5","","D'Vries, Richard Fernando; Gómez, Germán; Lionello, Diego E.; Fuertes, Cecilia; Soler-Illia, Galo; Ellena, Javier A.","Luminescence, Chemical Sensing and Mechanical Properties of Crystalline Materials Based on Lanthanide-Sulfonate Coordination Polymers","RSC Adv.","2016","","","","","10.1039/C6RA23516F","","","0.71073","MoKα","","0.0908","0.0532","","","0.1149","0.1272","","","","","","0.991","","","","has coordinates","188395","2020-10-21","18:00:00",""
"7227079","9.2352","0.0006","11.8774","0.0007","12.6755","0.0008","106.681","0.003","110.149","0.003","99.171","0.003","1197.69","0.14","298","","298","","","","","","","","","6","P -1","-P 1","2","","","","- C22 H20 Eu N2 O11 S2 -","- C22 H20 Eu N2 O10.5747 S2 -","- C44 H40 Eu2 N4 O21.1494 S4 -","2","1","","D'Vries, Richard Fernando; Gómez, Germán; Lionello, Diego E.; Fuertes, Cecilia; Soler-Illia, Galo; Ellena, Javier A.","Luminescence, Chemical Sensing and Mechanical Properties of Crystalline Materials Based on Lanthanide-Sulfonate Coordination Polymers","RSC Adv.","2016","","","","","10.1039/C6RA23516F","","","0.71073","MoKα","","0.0541","0.0354","","","0.0803","0.0894","","","","","","1.05","","","","has coordinates","188395","2020-10-21","18:00:00",""
"7227080","14.2425","0.0008","17.0358","0.0009","18.8857","0.001","90","","99.03","0.002","90","","4525.5","0.4","296","2","296.15","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C44 H34 Er2 N4 O18 S4 -","- C44 H34 Er2 N4 O18 S4 -","- C176 H136 Er8 N16 O72 S16 -","4","1","","D'Vries, Richard Fernando; Gómez, Germán; Lionello, Diego E.; Fuertes, Cecilia; Soler-Illia, Galo; Ellena, Javier A.","Luminescence, Chemical Sensing and Mechanical Properties of Crystalline Materials Based on Lanthanide-Sulfonate Coordination Polymers","RSC Adv.","2016","","","","","10.1039/C6RA23516F","","","0.71073","MoKα","","0.0349","0.0242","","","0.0531","0.0588","","","","","","1.094","","","","has coordinates","188395","2020-10-21","18:00:00",""
"7227081","14.2341","0.0003","17.0149","0.0004","18.8852","0.0004","90","","98.991","0.001","90","","4517.64","0.17","296","2","296.15","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C44 H34 Ho2 N4 O18 S4 -","- C44 H34 Ho2 N4 O18 S4 -","- C176 H136 Ho8 N16 O72 S16 -","4","1","","D'Vries, Richard Fernando; Gómez, Germán; Lionello, Diego E.; Fuertes, Cecilia; Soler-Illia, Galo; Ellena, Javier A.","Luminescence, Chemical Sensing and Mechanical Properties of Crystalline Materials Based on Lanthanide-Sulfonate Coordination Polymers","RSC Adv.","2016","","","","","10.1039/C6RA23516F","","","0.71073","MoKα","","0.0452","0.0305","","","0.06","0.0658","","","","","","1.02","","","","has coordinates","188395","2020-10-21","18:00:00",""
"7227082","14.2586","0.0006","17.0438","0.0007","18.9287","0.0007","90","","99.071","0.001","90","","4542.5","0.3","296","2","296.15","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C44 H32 Dy2 N4 O17.9 S4 -","- C44 H32 Dy2 N4 O17.9049 S4 -","- C176 H128 Dy8 N16 O71.6196 S16 -","4","1","","D'Vries, Richard Fernando; Gómez, Germán; Lionello, Diego E.; Fuertes, Cecilia; Soler-Illia, Galo; Ellena, Javier A.","Luminescence, Chemical Sensing and Mechanical Properties of Crystalline Materials Based on Lanthanide-Sulfonate Coordination Polymers","RSC Adv.","2016","","","","","10.1039/C6RA23516F","","x-ray","0.71073","MoKα","","0.0627","0.0361","","","0.0751","0.087","","","","","","1.034","","","","has coordinates","188395","2020-10-21","18:00:00",""
"7227083","14.2636","0.0006","17.0354","0.0007","18.9491","0.0007","90","","99.088","0.002","90","","4546.6","0.3","296","2","296","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C44 H34 N4 O18 S4 Tb2 -","- C44 H34 N4 O18 S4 Tb2 -","- C176 H136 N16 O72 S16 Tb8 -","4","1","","D'Vries, Richard Fernando; Gómez, Germán; Lionello, Diego E.; Fuertes, Cecilia; Soler-Illia, Galo; Ellena, Javier A.","Luminescence, Chemical Sensing and Mechanical Properties of Crystalline Materials Based on Lanthanide-Sulfonate Coordination Polymers","RSC Adv.","2016","","","","","10.1039/C6RA23516F","","","0.71073","MoKα","","0.0678","0.0365","","","0.0765","0.0927","","","","","","1.119","","","","has coordinates","188395","2020-10-21","18:00:00",""
"7227084","14.2136","0.0004","17.0112","0.0005","18.8325","0.0005","90","","99.014","0.001","90","","4497.3","0.2","296","2","296.15","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C44 H34 N4 O18 S4 Yb2 -","- C44 H34 N4 O18 S4 Yb2 -","- C176 H136 N16 O72 S16 Yb8 -","4","1","","D'Vries, Richard Fernando; Gómez, Germán; Lionello, Diego E.; Fuertes, Cecilia; Soler-Illia, Galo; Ellena, Javier A.","Luminescence, Chemical Sensing and Mechanical Properties of Crystalline Materials Based on Lanthanide-Sulfonate Coordination Polymers","RSC Adv.","2016","","","","","10.1039/C6RA23516F","","","0.71073","MoKα","","0.0442","0.0276","","","0.0519","0.0576","","","","","","1.027","","","","has coordinates","188395","2020-10-21","18:00:00",""
"7227085","8.938","0.004","11.742","0.005","12.745","0.006","90","","90","","90","","1337.6","1","299","2","299","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","3-(2'-hydroxybenzylidene)nopinone","","- C16 H18 O2 -","- C16 H18 O2 -","- C64 H72 O8 -","4","1","","Yang, Jinlai; Xu, Xu; Yang, Yiqin; Rui, Jian; Zhang, Yan; Kuang, Hongbo; Wang, Shifa; Wu, Liangru","Synthesis, optical properties, and acid-base indicating performance of novel ketene hydroxybenzylidene nopinone derivatives","RSC Adv.","2016","","","","","10.1039/C6RA20809F","","","0.71073","MoKα","","0.0561","0.0464","","","0.121","0.128","","","","","","1.03","","","","has coordinates","206489","2020-10-21","18:00:00",""
"7227086","11.9333","0.0003","6.7797","0.0002","12.1298","0.0003","90","","116.667","0.001","90","","876.97","0.04","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","(Z)-1-phenyl-3-(phenylamino)-4-(4-methylphenyl)but-2-en-1-one","","- C23 H21 N O -","- C23 H21 N O -","- C46 H42 N2 O2 -","2","1","","Young, Jonathon; Schäfer, Christian; Solan, Agnes; Baldrica, Anthony; Belcher, Miranda; Nişanci, Bilal; Wheeler, Kraig A.; R. Trivedi, Evan; Török, Béla; Dembinski, Roman","Regioselective “hydroamination” of alk-3-ynones with non-symmetrical o-phenylenediamines. Synthesis of diversely substituted 3H-1,5-benzodiazepines via (Z)-3-amino-2-alkenones","RSC Adv.","2016","6","108","107081","","10.1039/C6RA24291J","","","1.54178","CuKα","","0.0332","0.0299","","","0.0722","0.0745","","","","","","1.066","","","","has coordinates","188397","2020-10-21","18:00:00",""
"7227087","5.8282","0.0002","10.3586","0.0003","13.2061","0.0004","77.465","0.002","86.009","0.002","76.595","0.001","756.91","0.04","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H18 Cl N O -","- C18 H18 Cl N O -","- C36 H36 Cl2 N2 O2 -","2","1","","Young, Jonathon; Schäfer, Christian; Solan, Agnes; Baldrica, Anthony; Belcher, Miranda; Nişanci, Bilal; Wheeler, Kraig A.; R. Trivedi, Evan; Török, Béla; Dembinski, Roman","Regioselective “hydroamination” of alk-3-ynones with non-symmetrical o-phenylenediamines. Synthesis of diversely substituted 3H-1,5-benzodiazepines via (Z)-3-amino-2-alkenones","RSC Adv.","2016","6","108","107081","","10.1039/C6RA24291J","","","1.54178","CuKα","","0.0316","0.0301","","","0.0785","0.0798","","","","","","1.059","","","","has coordinates","188397","2020-10-21","18:00:00",""
"7227088","21.4737","0.001","16.0302","0.0008","5.5546","0.0003","90","","90","","90","","1912.05","0.17","100","2","100","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C23 H19 N3 O2 -","- C23 H19 N3 O2 -","- C92 H76 N12 O8 -","4","1","","Young, Jonathon; Schäfer, Christian; Solan, Agnes; Baldrica, Anthony; Belcher, Miranda; Nişanci, Bilal; Wheeler, Kraig A.; R. Trivedi, Evan; Török, Béla; Dembinski, Roman","Regioselective “hydroamination” of alk-3-ynones with non-symmetrical o-phenylenediamines. Synthesis of diversely substituted 3H-1,5-benzodiazepines via (Z)-3-amino-2-alkenones","RSC Adv.","2016","6","108","107081","","10.1039/C6RA24291J","","","1.54178","CuKα","","0.076","0.0472","","","0.1067","0.1208","","","","","","0.997","","","","has coordinates","188397","2020-10-21","18:00:00",""
"7227089","12.2036","0.0007","10.1274","0.0005","15.5213","0.0008","90","","93.535","0.003","90","","1914.64","0.18","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H24 N2 O -","- C24 H24 N2 O -","- C96 H96 N8 O4 -","4","1","","Young, Jonathon; Schäfer, Christian; Solan, Agnes; Baldrica, Anthony; Belcher, Miranda; Nişanci, Bilal; Wheeler, Kraig A.; R. Trivedi, Evan; Török, Béla; Dembinski, Roman","Regioselective “hydroamination” of alk-3-ynones with non-symmetrical o-phenylenediamines. Synthesis of diversely substituted 3H-1,5-benzodiazepines via (Z)-3-amino-2-alkenones","RSC Adv.","2016","6","108","107081","","10.1039/C6RA24291J","","","1.54178","CuKα","","0.0466","0.0387","","","0.0994","0.1042","","","","","","1.038","","","","has coordinates","188397","2020-10-21","18:00:00",""
"7227090","7.5902","0.0003","14.0682","0.0005","18.3473","0.0007","90","","97.945","0.003","90","","1940.33","0.13","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C25 H24 N2 -","- C25 H24 N2 -","- C100 H96 N8 -","4","1","","Young, Jonathon; Schäfer, Christian; Solan, Agnes; Baldrica, Anthony; Belcher, Miranda; Nişanci, Bilal; Wheeler, Kraig A.; R. Trivedi, Evan; Török, Béla; Dembinski, Roman","Regioselective “hydroamination” of alk-3-ynones with non-symmetrical o-phenylenediamines. Synthesis of diversely substituted 3H-1,5-benzodiazepines via (Z)-3-amino-2-alkenones","RSC Adv.","2016","6","108","107081","","10.1039/C6RA24291J","","","1.54178","CuKα","","0.0454","0.0384","","","0.0992","0.1035","","","","","","1.038","","","","has coordinates","188397","2020-10-21","18:00:00",""
"7227092","9.406","0.0004","17.1884","0.001","36.1133","0.0019","90","","90","","90","","5838.6","0.5","296","2","296","2","","","","","","","","9","P b c a","-P 2ac 2ab","61","","Chloro-(4-(furan-2-ylcarbonyl)piperazine-1-carbodithioato-S,S') -tri(4-flourophenylphosphine)-platinum(ii)","","- C28 H23 Cl F3 N2 O2 P Pt S2 -","- C28 H23 Cl F3 N2 O2 P Pt S2 -","- C224 H184 Cl8 F24 N16 O16 P8 Pt8 S16 -","8","1","","Amir, Muhammad Kashif; Rehman, Zia-ur-; Hayat, Faisal; Khan, Shahan Zeb; Hogarth, G.; Kondratyuk, Tamara P.; Pezzuto, J. M.; Tahir, Muhammad Nawaz","Monofunctional platinum(II) dithiocarbamate complexes: Synthesis, characterization and anticancer activity","RSC Adv.","2016","","","","","10.1039/C6RA19469A","","","0.71073","MoKα","","0.0939","0.0483","","","0.0881","0.1003","","","","","","1.099","","","","has coordinates,has disorder","188405","2020-10-21","18:00:00",""
"7227093","20.5863","0.0015","9.345","0.0007","18.461","0.0013","90","","114.952","0.003","90","","3220","0.4","296","2","296","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","Chloro-(4-(4-methoxyphenyl)piperazine-1-carbodithioato-S,S') -tri(4-chlorophenylphosphine)-platinum(ii)","","- C30 H27 Cl4 N2 O P Pt S2 -","- C30 H27 Cl4 N2 O P Pt S2 -","- C120 H108 Cl16 N8 O4 P4 Pt4 S8 -","4","1","","Amir, Muhammad Kashif; Rehman, Zia-ur-; Hayat, Faisal; Khan, Shahan Zeb; Hogarth, G.; Kondratyuk, Tamara P.; Pezzuto, J. M.; Tahir, Muhammad Nawaz","Monofunctional platinum(II) dithiocarbamate complexes: Synthesis, characterization and anticancer activity","RSC Adv.","2016","","","","","10.1039/C6RA19469A","","","0.71073","MoKα","","0.1193","0.0815","","","0.1588","0.1702","","","","","","1.132","","","","has coordinates,has disorder","188405","2020-10-21","18:00:00",""
"7227094","19.2669","0.0011","9.892","0.0006","16.4584","0.0009","90","","96.837","0.003","90","","3114.5","0.3","296","2","296","2","","","","","","","","9","P 1 21/c 1","-P 2ybc","14","","Chloro-(4-(4-methoxyphenyl)piperazine-1-carbodithioato-S,S') -tri(4-fluorophenylphosphine)-platinum(ii)","","- C30 H27 Cl F3 N2 O P Pt S2 -","- C30 H27 Cl F3 N2 O P Pt S2 -","- C120 H108 Cl4 F12 N8 O4 P4 Pt4 S8 -","4","1","","Amir, Muhammad Kashif; Rehman, Zia-ur-; Hayat, Faisal; Khan, Shahan Zeb; Hogarth, G.; Kondratyuk, Tamara P.; Pezzuto, J. M.; Tahir, Muhammad Nawaz","Monofunctional platinum(II) dithiocarbamate complexes: Synthesis, characterization and anticancer activity","RSC Adv.","2016","","","","","10.1039/C6RA19469A","","","0.71073","MoKα","","0.0752","0.0386","","","0.0663","0.076","","","","","","0.976","","","","has coordinates,has disorder","188405","2020-10-21","18:00:00",""
"7227095","7.2591","0.0003","18.757","0.001","12.209","0.0005","90","","103.578","0.004","90","","1615.9","0.13","296.15","","296.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C17 H16 Cl N3 O3 -","- C17 H16 Cl N3 O3 -","- C68 H64 Cl4 N12 O12 -","4","1","","jungang, deng; Yunpeng, Du; Wei, Chen; Xiang, Fu; Hang, Deng","Synthesis and biological evaluation of heterocyclic hydrazone transition metal complexes as potential anticancer agents","RSC Adv.","2016","","","","","10.1039/C6RA23477A","","","0.71073","MoKα","","0.0867","0.0466","","","0.0956","0.1135","","","","","","1.026","","","","has coordinates","188406","2020-10-21","18:00:00",""
"7227096","11.839","0.003","12.193","0.004","13.482","0.004","70.196","0.005","80.076","0.005","61.321","0.005","1606.3","0.8","296.15","","296.15","","","","","","","","","5","P -1","-P 1","2","","","","- C34 H24 Cu N6 O4 -","- C34 H24 Cu N6 O4 -","- C68 H48 Cu2 N12 O8 -","2","1","","jungang, deng; Yunpeng, Du; Wei, Chen; Xiang, Fu; Hang, Deng","Synthesis and biological evaluation of heterocyclic hydrazone transition metal complexes as potential anticancer agents","RSC Adv.","2016","","","","","10.1039/C6RA23477A","","","0.71073","MoKα","","0.1699","0.0723","","","0.1505","0.1919","","","","","","0.97","","","","has coordinates","188406","2020-10-21","18:00:00",""
"7227097","19.0235","0.0014","18.0362","0.0013","9.648","0.0007","90","","104.398","0.002","90","","3206.4","0.4","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C30 H26 Cu2 N16 O2 -","- C30 H26 Cu2 N16 O2 -","- C120 H104 Cu8 N64 O8 -","4","1","","Song, Yang; Fan, Ruiqing; Du, Xi; Xing, Kai; Dong, Yuwei; Wang, Ping; Yang, Yulin","Dual functional fluorescent sensor for selectively detecting acetone and Fe3+ based on {Cu2N4} substructure bridged Cu(I) coordination polymer","RSC Adv.","2016","","","","","10.1039/C6RA23694D","","","0.71073","MoKα","","0.0816","0.051","","","0.1422","0.1692","","","","","","1.09","","","","has coordinates","188407","2020-10-21","18:00:00",""
"7227098","17.5317","0.0012","17.5317","0.0012","15.757","0.002","90","","90","","90","","4843.1","0.8","296","2","296","2","","","","","","","","6","P 42/n m c :2","-P 4ac 2a","137","NJU-Bai18","","","- C17 H11 Cl Co N2 O2 -","- C17 H11 Cl Co N2 O2 -","- C136 H88 Cl8 Co8 N16 O16 -","8","0.5","","Liu, Huiyan; Meng, Fei; Lu, Zhiyong; Bai, Junfeng","A S4N4-like [Co4(μ-Cl)4] based metal‒organic framework with sum topology and selective CO2 uptake","CrystEngComm","2016","18","47","9003","","10.1039/C6CE02047J","","","0.71073","MoKα","","0.0526","0.0472","","","0.1633","0.1679","","","","","","1.061","","","","has coordinates,has disorder","190092","2020-10-21","18:00:00",""
"7227099","10.048","0.003","20.458","0.005","10.462","0.003","90","","92.797","0.005","90","","2148","1","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H20 Mn N2 O8 -","- C24 H20 Mn N2 O8 -","- C96 H80 Mn4 N8 O32 -","4","1","","Hu, Lei; Lin, Xiao-Ming; Lin, Jia; Zhang, Ru-Qiao; Zhang, Da-Liang; Cai, Yue-Peng","Structural diversity of Mn(ii), Zn(ii) and Pb(ii) coordination polymers constructed from isomeric pyridylbenzoate N-oxide ligands: structures and electrochemical properties","CrystEngComm","2016","18","48","9307","","10.1039/C6CE02071B","","","0.71073","MoKα","","0.0862","0.059","","","0.129","0.149","","","","","","1.022","","","","has coordinates","190074","2020-10-21","18:00:00",""
"7227100","12.38","0.005","6.836","0.003","13.578","0.005","90","","114.624","0.007","90","","1044.6","0.7","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H9 N O4 Zn -","- C12 H8 N O4 Zn -","- C48 H32 N4 O16 Zn4 -","4","1","","Hu, Lei; Lin, Xiao-Ming; Lin, Jia; Zhang, Ru-Qiao; Zhang, Da-Liang; Cai, Yue-Peng","Structural diversity of Mn(ii), Zn(ii) and Pb(ii) coordination polymers constructed from isomeric pyridylbenzoate N-oxide ligands: structures and electrochemical properties","CrystEngComm","2016","18","48","9307","","10.1039/C6CE02071B","","","0.71073","MoKα","","0.1071","0.0597","","","0.1275","0.145","","","","","","1.094","","","","has coordinates","190074","2020-10-21","18:00:00",""
"7227101","15.864","0.002","10.2331","0.0014","8.453","0.0011","90","","93.405","0.002","90","","1369.8","0.3","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H10 N2 O7 Pb -","- C12 H10 N2 O7 Pb -","- C48 H40 N8 O28 Pb4 -","4","1","","Hu, Lei; Lin, Xiao-Ming; Lin, Jia; Zhang, Ru-Qiao; Zhang, Da-Liang; Cai, Yue-Peng","Structural diversity of Mn(ii), Zn(ii) and Pb(ii) coordination polymers constructed from isomeric pyridylbenzoate N-oxide ligands: structures and electrochemical properties","CrystEngComm","2016","18","48","9307","","10.1039/C6CE02071B","","","0.71073","MoKα","","0.0587","0.0495","","","0.1439","0.1568","","","","","","1.014","","","","has coordinates","190074","2020-10-21","18:00:00",""
"7227102","13.412","0.003","15.726","0.003","12.078","0.003","90","","92.315","0.004","90","","2545.4","1","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C50 H54 Mn3 N4 O26 -","- C50 H42 Mn3 N4 O26 -","- C100 H84 Mn6 N8 O52 -","2","0.5","","Hu, Lei; Lin, Xiao-Ming; Lin, Jia; Zhang, Ru-Qiao; Zhang, Da-Liang; Cai, Yue-Peng","Structural diversity of Mn(ii), Zn(ii) and Pb(ii) coordination polymers constructed from isomeric pyridylbenzoate N-oxide ligands: structures and electrochemical properties","CrystEngComm","2016","18","48","9307","","10.1039/C6CE02071B","","","0.71073","MoKα","","0.1313","0.0911","","","0.2806","0.323","","","","","","1.064","","","","has coordinates","190074","2020-10-21","18:00:00",""
"7227103","21.133","0.008","7.397","0.003","15.679","0.006","90","","118.019","0.007","90","","2163.7","1.5","296","2","296","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C24 H20 N2 O8 Zn -","- C24 H16 N2 O8 Zn -","- C96 H64 N8 O32 Zn4 -","4","1","","Hu, Lei; Lin, Xiao-Ming; Lin, Jia; Zhang, Ru-Qiao; Zhang, Da-Liang; Cai, Yue-Peng","Structural diversity of Mn(ii), Zn(ii) and Pb(ii) coordination polymers constructed from isomeric pyridylbenzoate N-oxide ligands: structures and electrochemical properties","CrystEngComm","2016","18","48","9307","","10.1039/C6CE02071B","","","0.71073","MoKα","","0.1168","0.0906","","","0.2572","0.2743","","","","","","1.068","","","","has coordinates","190074","2020-10-21","18:00:00",""
"7227104","20.213","0.005","17.232","0.005","7.666","0.002","90","","95.997","0.005","90","","2655.5","1.2","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H16 N2 O6 Pb -","- C24 H16 N2 O6 Pb -","- C96 H64 N8 O24 Pb4 -","4","1","","Hu, Lei; Lin, Xiao-Ming; Lin, Jia; Zhang, Ru-Qiao; Zhang, Da-Liang; Cai, Yue-Peng","Structural diversity of Mn(ii), Zn(ii) and Pb(ii) coordination polymers constructed from isomeric pyridylbenzoate N-oxide ligands: structures and electrochemical properties","CrystEngComm","2016","18","48","9307","","10.1039/C6CE02071B","","","0.71073","MoKα","","0.0597","0.0389","","","0.0902","0.0945","","","","","","1.064","","","","has coordinates","190074","2020-10-21","18:00:00",""
"7227105","8.811","0.003","7.782","0.003","11.657","0.004","90","","90","","90","","799.3","0.5","290","2","290","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C3 H8 Fe N2 O6 -","- C3 H8 Fe N2 O6 -","- C12 H32 Fe4 N8 O24 -","4","1","","Mączka, Mirosław; Pasińska, Katarzyna; Ptak, Maciej; Paraguassu, Waldeci; da Silva, Tercio Almeida; Sieradzki, Adam; Pikul, Adam","Effect of solvent, temperature and pressure on the stability of chiral and perovskite metal formate frameworks of [NH2NH3][M(HCOO)3] (M = Mn, Fe, Zn).","Physical chemistry chemical physics : PCCP","2016","18","46","31653","31663","10.1039/c6cp06648h","","","0.71073","MoKα","","0.024","0.02","","","0.0494","0.051","","","","","","1.061","","","","has coordinates","190280","2020-10-21","18:00:00",""
"7227106","8.736","0.003","11.763","0.004","7.871","0.003","90","","90","","90","","808.8","0.5","360","2","360","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C3 H8 Fe N2 O6 -","- C3 H8 Fe N2 O6 -","- C12 H32 Fe4 N8 O24 -","4","0.5","","Mączka, Mirosław; Pasińska, Katarzyna; Ptak, Maciej; Paraguassu, Waldeci; da Silva, Tercio Almeida; Sieradzki, Adam; Pikul, Adam","Effect of solvent, temperature and pressure on the stability of chiral and perovskite metal formate frameworks of [NH2NH3][M(HCOO)3] (M = Mn, Fe, Zn).","Physical chemistry chemical physics : PCCP","2016","18","46","31653","31663","10.1039/c6cp06648h","","","0.71073","MoKα","","0.0384","0.0282","","","0.0737","0.0788","","","","","","1.102","","","","has coordinates","190280","2020-10-21","18:00:00",""
"7227107","7.946","0.003","7.946","0.003","7.618","0.003","90","","90","","120","","416.6","0.3","360","2","360","2","","","","","","","","5","P 63","P 6c","173","","","","- C3 H8 Fe N2 O6 -","- C3 H7.9995 Fe N1.9998 O6 -","- C6 H15.999 Fe2 N3.9996 O12 -","2","0.333333","","Mączka, Mirosław; Pasińska, Katarzyna; Ptak, Maciej; Paraguassu, Waldeci; da Silva, Tercio Almeida; Sieradzki, Adam; Pikul, Adam","Effect of solvent, temperature and pressure on the stability of chiral and perovskite metal formate frameworks of [NH2NH3][M(HCOO)3] (M = Mn, Fe, Zn).","Physical chemistry chemical physics : PCCP","2016","18","46","31653","31663","10.1039/c6cp06648h","","","0.71073","MoKα","","0.0409","0.0295","","","0.0595","0.0628","","","","","","1.053","","","","has coordinates","190280","2020-10-21","18:00:00",""
"7227108","7.988","0.003","7.988","0.003","7.807","0.003","90","","90","","120","","431.4","0.3","310","2","310","2","","","","","","","","5","P 63","P 6c","173","","","","- C3 H8 Mn N2 O6 -","- C3 H7.9995 Mn N1.9998 O6 -","- C6 H15.999 Mn2 N3.9996 O12 -","2","0.333333","","Mączka, Mirosław; Pasińska, Katarzyna; Ptak, Maciej; Paraguassu, Waldeci; da Silva, Tercio Almeida; Sieradzki, Adam; Pikul, Adam","Effect of solvent, temperature and pressure on the stability of chiral and perovskite metal formate frameworks of [NH2NH3][M(HCOO)3] (M = Mn, Fe, Zn).","Physical chemistry chemical physics : PCCP","2016","18","46","31653","31663","10.1039/c6cp06648h","","","0.71073","MoKα","","0.0185","0.0171","","","0.0415","0.0419","","","","","","1.096","","","","has coordinates","190280","2020-10-21","18:00:00",""
"7227109","11.1965","0.0004","13.5143","0.0005","12.9627","0.0005","90","","95.488","0.003","90","","1952.43","0.13","120","","120","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C13 H23 Br2 N7 O4 Zn -","- C13 H23 Br2 N7 O4 Zn -","- C52 H92 Br8 N28 O16 Zn4 -","4","1","","Mączka, Mirosław; Pasińska, Katarzyna; Ptak, Maciej; Paraguassu, Waldeci; da Silva, Tercio Almeida; Sieradzki, Adam; Pikul, Adam","Effect of solvent, temperature and pressure on the stability of chiral and perovskite metal formate frameworks of [NH2NH3][M(HCOO)3] (M = Mn, Fe, Zn).","Physical chemistry chemical physics : PCCP","2016","18","46","31653","31663","10.1039/c6cp06648h","","x-ray","0.71073","MoKα","","0.0394","0.0302","","","0.0712","0.0737","","","","1.75","1.75","1.65","","","","has coordinates","190280","2020-10-21","18:00:00",""
"7227110","7.5332","0.0004","11.2812","0.0005","15.5208","0.0006","101.693","0.004","98.883","0.004","105.224","0.004","1215.85","0.11","120","0.14","120","","","","","","","","","7","P -1","-P 1","2","","","","- C13 H23 Br2 Cl2 N7 O4 Zn2 -","- C13 H23 Br1.9998 Cl1.9998 N7 O4 Zn1.9999 -","- C26 H46 Br3.9996 Cl3.9996 N14 O8 Zn3.9998 -","2","1","","Mączka, Mirosław; Pasińska, Katarzyna; Ptak, Maciej; Paraguassu, Waldeci; da Silva, Tercio Almeida; Sieradzki, Adam; Pikul, Adam","Effect of solvent, temperature and pressure on the stability of chiral and perovskite metal formate frameworks of [NH2NH3][M(HCOO)3] (M = Mn, Fe, Zn).","Physical chemistry chemical physics : PCCP","2016","18","46","31653","31663","10.1039/c6cp06648h","","x-ray","0.7107","MoKα","","0.0532","0.0411","","","0.1118","0.119","","","","1.74","1.74","1.65","","","","has coordinates","190280","2020-10-21","18:00:00",""
"7227111","16.137","0.005","7.605","0.003","16.14","0.005","90","","119.984","0.003","90","","1715.6","1","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C12 H32 Mn4 N8 O24 -","- C12 H31.9995 Mn4 N7.9998 O24 -","- C24 H63.999 Mn8 N15.9996 O48 -","2","1","","Mączka, Mirosław; Pasińska, Katarzyna; Ptak, Maciej; Paraguassu, Waldeci; da Silva, Tercio Almeida; Sieradzki, Adam; Pikul, Adam","Effect of solvent, temperature and pressure on the stability of chiral and perovskite metal formate frameworks of [NH2NH3][M(HCOO)3] (M = Mn, Fe, Zn).","Physical chemistry chemical physics : PCCP","2016","18","46","31653","31663","10.1039/c6cp06648h","","","0.71073","MoKα","","0.0336","0.0294","","","0.0565","0.058","","","","","","1.043","","","","has coordinates,has disorder","190280","2020-10-21","18:00:00",""
"7227112","11.311","0.003","9.796","0.003","14.305","0.004","90","","106.827","0.003","90","","1517.2","0.7","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C14 H14 Cl2 N2 O Zn -","- C14 H14 Cl2 N2 O Zn -","- C56 H56 Cl8 N8 O4 Zn4 -","4","1","","Dong, Yuwei; Fan, Ruiqing; Chen, Wei; Zhang, Huijie; Song, Yang; Du, Xi; Wang, Ping; Wei, Liguo; Yang, Yulin","Luminescent Properties of Zn(II) Supramolecular Framework: Easily Tunable Optical Properties by Variation of the Alkyl Substitution of (E)-N-(Pyridine-2-ylethylidyne)arylamine Ligands","RSC Adv.","2016","","","","","10.1039/C6RA20377A","","","0.71073","MoKα","","0.0479","0.0336","","","0.0807","0.0873","","","","","","1.023","","","","has coordinates","188456","2020-10-21","18:00:00",""
"7227113","9.5582","0.0005","10.9115","0.0005","13.6401","0.0006","90","","92.856","0.004","90","","1420.82","0.12","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C13 H12 Cl2 N2 Zn -","- C13 H12 Cl2 N2 Zn -","- C52 H48 Cl8 N8 Zn4 -","4","1","","Dong, Yuwei; Fan, Ruiqing; Chen, Wei; Zhang, Huijie; Song, Yang; Du, Xi; Wang, Ping; Wei, Liguo; Yang, Yulin","Luminescent Properties of Zn(II) Supramolecular Framework: Easily Tunable Optical Properties by Variation of the Alkyl Substitution of (E)-N-(Pyridine-2-ylethylidyne)arylamine Ligands","RSC Adv.","2016","","","","","10.1039/C6RA20377A","","","0.71073","MoKα","","0.0583","0.039","","","0.1119","0.1309","","","","","","0.808","","","","has coordinates","188456","2020-10-21","18:00:00",""
"7227114","8.108","0.005","13.089","0.008","15.69","0.009","71.786","0.007","76.105","0.007","84.537","0.007","1535","1.6","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H14 Cl2 N2 Zn -","- C14 H14 Cl2 N2 Zn -","- C56 H56 Cl8 N8 Zn4 -","4","2","","Dong, Yuwei; Fan, Ruiqing; Chen, Wei; Zhang, Huijie; Song, Yang; Du, Xi; Wang, Ping; Wei, Liguo; Yang, Yulin","Luminescent Properties of Zn(II) Supramolecular Framework: Easily Tunable Optical Properties by Variation of the Alkyl Substitution of (E)-N-(Pyridine-2-ylethylidyne)arylamine Ligands","RSC Adv.","2016","","","","","10.1039/C6RA20377A","","","0.71073","MoKα","","0.0681","0.0382","","","0.0944","0.1084","","","","","","1.034","","","","has coordinates,has disorder","188456","2020-10-21","18:00:00",""
"7227115","9.0958","0.0004","11.7426","0.0005","15.0944","0.0007","90","","91.716","0.001","90","","1611.48","0.12","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C15 H16 Cl2 N2 Zn -","- C15 H16 Cl2 N2 Zn -","- C60 H64 Cl8 N8 Zn4 -","4","1","","Dong, Yuwei; Fan, Ruiqing; Chen, Wei; Zhang, Huijie; Song, Yang; Du, Xi; Wang, Ping; Wei, Liguo; Yang, Yulin","Luminescent Properties of Zn(II) Supramolecular Framework: Easily Tunable Optical Properties by Variation of the Alkyl Substitution of (E)-N-(Pyridine-2-ylethylidyne)arylamine Ligands","RSC Adv.","2016","","","","","10.1039/C6RA20377A","","","0.71073","MoKα","","0.0541","0.0405","","","0.1224","0.135","","","","","","1.003","","","","has coordinates","188456","2020-10-21","18:00:00",""
"7227116","32.804","0.014","13.39","0.005","16.187","0.006","90","","96.815","0.008","90","","7060","5","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C16 H18 Cl2 N2 Zn -","- C16 H18 Cl2 N2 Zn -","- C256 H288 Cl32 N32 Zn16 -","16","2","","Dong, Yuwei; Fan, Ruiqing; Chen, Wei; Zhang, Huijie; Song, Yang; Du, Xi; Wang, Ping; Wei, Liguo; Yang, Yulin","Luminescent Properties of Zn(II) Supramolecular Framework: Easily Tunable Optical Properties by Variation of the Alkyl Substitution of (E)-N-(Pyridine-2-ylethylidyne)arylamine Ligands","RSC Adv.","2016","","","","","10.1039/C6RA20377A","","","0.71073","MoKα","","0.0515","0.0405","","","0.1454","0.158","","","","","","1.063","","","","has coordinates","188456","2020-10-21","18:00:00",""
"7227117","6.874","0.0005","20.814","0.0014","12.75","0.0008","90","","93.7","0.001","90","","1820.4","0.2","296","2","296","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C14 H29 Cr Cu Mo6 N4 O30 -","- C14 H23 Cr Cu Mo6 N4 O30 -","- C28 H46 Cr2 Cu2 Mo12 N8 O60 -","2","1","","Wang, Xiuli; Sun, Junjun; Lin, Hongyan; Chang, Zhihan; Liu, Guocheng; Wang, Xiang","pH-tuned diverse structures and properties: Two Anderson-type polyoxometalate-based metal-organic complexes for selective photocatalysis and adsorption of organic dyes","RSC Adv.","2016","","","","","10.1039/C6RA22836D","","","0.71069","MoKα","","0.0514","0.0402","","","0.0958","0.1017","","","","","","1.001","","","","has coordinates","188512","2020-10-21","18:00:00",""
"7227118","12.185","0.0005","12.693","0.0005","14.144","0.0006","71.378","0.001","85.02","0.001","62.056","0.001","1826.17","0.13","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C28 H58 Cr2 Cu5 Mo12 N8 O64 -","- C28 H48 Cr2 Cu5 Mo12 N8 O64 -","- C28 H48 Cr2 Cu5 Mo12 N8 O64 -","1","0.5","","Wang, Xiuli; Sun, Junjun; Lin, Hongyan; Chang, Zhihan; Liu, Guocheng; Wang, Xiang","pH-tuned diverse structures and properties: Two Anderson-type polyoxometalate-based metal-organic complexes for selective photocatalysis and adsorption of organic dyes","RSC Adv.","2016","","","","","10.1039/C6RA22836D","","","0.71069","MoKα","","0.0329","0.0258","","","0.062","0.0649","","","","","","1.002","","","","has coordinates","188512","2020-10-21","18:00:00",""
"7227119","16.6972","0.0012","7.7291","0.0005","20.8746","0.0015","90","","98.503","0.002","90","","2664.3","0.3","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","PYP","","","- C15 H12 O2 S -","- C15 H12 O2 S -","- C120 H96 O16 S8 -","8","2","","Li, Wei; Chu, Wenlei; Jin, Wen; Han, Xijiang; Ma, Yufei; Dai, Bin; Xu, Ping; Liang, Yiwei; Chen, DengTai","In-situ SERS monitored Photoactive Yellow Protein (PYP) chromophore model elimination, nano-catalyzed phenyl redox and I2 addition reactions","RSC Adv.","2016","","","","","10.1039/C6RA16823J","","","0.71073","MoKα","","0.0592","0.0392","","","0.0947","0.1074","","","","","","0.975","","","","has coordinates","188513","2020-10-21","18:00:00",""
"7227123","16.923","0.003","4.7963","0.0007","9.884","0.0015","90","","101.424","0.005","90","","786.4","0.2","420","2","420","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C5 H11 N O2 S -","- C5 H11 N O2 S -","- C20 H44 N4 O8 S4 -","4","1","","Smets, M. M. H.; Brugman, S. J. T.; van Eck, E. R. H.; Tinnemans, P.; Meekes, H.; Cuppen, H. M.","Understanding the single-crystal-to-single-crystal solid-state phase transition of dl-methionine","CrystEngComm","2016","18","48","9363","","10.1039/C6CE02079H","","","0.71073","MoKα","","0.0815","0.0723","","","0.2234","0.2377","","","","","","1.05","","","","has coordinates,has disorder","190075","2020-10-21","18:00:00",""
"7227124","16.894","0.002","4.7953","0.0006","9.8686","0.0013","90","","101.318","0.004","90","","783.93","0.17","338","2","338","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C5 H11 N O2 S -","- C5 H11 N O2 S -","- C20 H44 N4 O8 S4 -","4","1","","Smets, M. M. H.; Brugman, S. J. T.; van Eck, E. R. H.; Tinnemans, P.; Meekes, H.; Cuppen, H. M.","Understanding the single-crystal-to-single-crystal solid-state phase transition of dl-methionine","CrystEngComm","2016","18","48","9363","","10.1039/C6CE02079H","","","0.71073","MoKα","","0.0773","0.0711","","","0.2252","0.2368","","","","","","1.055","","","","has coordinates,has disorder","190075","2020-10-21","18:00:00",""
"7227129","26.9629","0.0003","26.9629","0.0003","27.5365","0.0004","90","","90","","90","","20019","0.4","293","2","293","2","","","","","","","","7","I 41/a c d","-I 4bd 2c","142","","","","- C66 H84 Cu2 N13 O50 P W12 -","- C54 H44 Cu2 N9 O40 P W12 -","- C432 H352 Cu16 N72 O320 P8 W96 -","8","","","Huo, Miao; Yang, Wenbin; Zhang, Hai-Long; Zhang, Lei; Liao, Jian-Zhen; Lin, Lang; Lu, Can-Zhong","A New POM-MOF hybrid Microporous Material with Ultrahigh Thermal Stability And Selective Adsorption of Organic Dyes","RSC Adv.","2016","","","","","10.1039/C6RA10422C","","","1.54184","CuKα","","0.048","0.0407","","","0.1065","0.1146","","","","","","1.144","","","","has coordinates","188530","2020-10-21","18:00:00",""
"7227130","33.835","0.005","33.835","0.005","39.859","0.008","90","","90","","120","","39517","11","293","2","100","2","","","","","","","","5","R 3 2","R 3 2""","155","(R)-MOF-1A","","","- C78 H64 Cu2 N3 O16 -","- C78 H64 Cu2 N3 O16 -","- C1404 H1152 Cu36 N54 O288 -","18","","","Tanaka, Koichi; Nagase, Shohei; Anami, Suguru; Wierzbicki, Michal; Urbanczyk-Lipkowska, Zofia","Enantioselective Diels‒Alder reaction in confined space of homochiral metal‒organic frameworks","RSC Adv.","2016","","","","","10.1039/C6RA23740A","","","0.6888","synchrotron","","0.0751","0.0732","","","0.223","0.2263","","","","","","1.041","","","","has coordinates,has disorder","188553","2020-10-21","18:00:00",""
"7227137","17.5019","0.001","9.8634","0.0005","25.5915","0.0015","90","","108.725","0.002","90","","4184","0.4","153","2","153","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C47 H40 F6 O3 P2 Pd -","- C47 H36 F6 O3 P2 Pd -","- C188 H144 F24 O12 P8 Pd4 -","4","1","","Zhang, Song-Lin; Deng, Zhu-Qin","Synthesis and reductive elimination of arylPd(ii) trifluoromethyl complexes: a remarkable concentration effect on chemoselectivity.","Physical chemistry chemical physics : PCCP","2016","18","48","32664","32667","10.1039/c6cp07093k","","","0.71073","MoKα","","0.0874","0.0711","","","0.1743","0.1803","","","","","","1.156","","","","has coordinates,has disorder","190282","2020-10-21","18:00:00",""
"7227138","21.713","0.003","21.713","0.003","21.713","0.003","90","","90","","90","","10237","2","282","1","282","1","","","","","","","","5","F m -3 m","-F 4 2 3","225","","","","- C96 H48 Eu12 N48 O64 -","- C96 H48 Eu12 N48 O64 -","- C192 H96 Eu24 N96 O128 -","2","0.0104167","","Yi, Pengda; Huang, Hongliang; Peng, Yaguang; Liu, Dahuan; Zhong, Chongli","A series of europium-based metal organic frameworks with tuned intrinsic luminescence properties and detection capacities","RSC Adv.","2016","","","","","10.1039/C6RA23263A","","","0.71073","MoKα","","0.0552","0.0529","","","0.1739","0.1763","","","","","","1.202","","","","has coordinates","188612","2020-10-21","18:00:00",""
"7227150","13.4976","0.0008","7.1793","0.0004","7.8799","0.0005","90","","123.405","0.002","90","","637.44","0.07","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C4 H4 Mn O6 -","- C4 H4 Mn O6 -","- C16 H16 Mn4 O24 -","4","0.5","","Hendon, Christopher H.; Pradaux-Caggiano, Fabienne; Hatcher, Lauren E.; Gee, William J.; Wilson, Chick C.; Butler, Keith T.; Carbery, David R.; Walsh, Aron; Melot, Brent C.","Magnetic coupling in a hybrid Mn(ii) acetylene dicarboxylate.","Physical chemistry chemical physics : PCCP","2016","18","48","33329","33334","10.1039/c6cp06886c","","","0.7749","synchrotron","","0.0182","0.0174","","","0.0458","0.0462","","","","","","1.114","","","","has coordinates","190283","2020-10-21","18:00:00",""
"7227151","8.3771","0.0009","6.2358","0.0008","14.5374","0.0013","90","","99.659","0.009","90","","748.64","0.14","298","2","298","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C17 H12 N4 S -","- C17 H12 N4 S -","- C34 H24 N8 S2 -","2","1","","Singh, Rupinder; Gogoi, Abhijit; Das, Gopal","Benzothiazole based multi-analyte sensor for selective sensing of Zn2+ and Cd2+ and subsequent sensing of inorganic phosphates (Pi) in mixed aqueous medium","RSC Adv.","2016","","","","","10.1039/C6RA22840B","","","0.71073","MoKα","","0.1047","0.0604","","","0.1258","0.1546","","","","","","1.022","","","","has coordinates","188625","2020-10-21","18:00:00",""
"7227156","9.785","0.001","10.4737","0.001","14.8053","0.001","80.999","0.01","89.131","0.01","70.023","0.01","1407.3","0.2","120","","120","","","","100","","","","","5","P -1","-P 1","2","","","","- C26 H33 Cl2 N5 O5 -","- C26 H33 Cl2 N5 O5 -","- C52 H66 Cl4 N10 O10 -","2","1","","Tieger, Eszter; Kiss, Violetta; Pokol, György; Finta, Zoltán; Rohlíček, Jan; Skořepová, Eliška; Dušek, Michal","Rationalization of the formation and stability of bosutinib solvated forms","CrystEngComm","2016","18","48","9260","","10.1039/C6CE01834C","","","1.5418","CuKα","","0.0603","0.0467","","0.1177","0.1087","0.1176","","","","","","0.9712","","","","has coordinates","190076","2020-10-21","18:00:00",""
"7227157","14.6736","0.0006","14.8453","0.0005","15.2727","0.0006","90","","114.517","0.005","90","","3027","0.2","120","","120","","","","100","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C30 H39 Cl2 N5 O4 -","- C30 H39 Cl2 N5 O4 -","- C120 H156 Cl8 N20 O16 -","4","1","","Tieger, Eszter; Kiss, Violetta; Pokol, György; Finta, Zoltán; Rohlíček, Jan; Skořepová, Eliška; Dušek, Michal","Rationalization of the formation and stability of bosutinib solvated forms","CrystEngComm","2016","18","48","9260","","10.1039/C6CE01834C","","","1.5418","CuKα","","0.0574","0.0488","","0.1306","0.1215","0.1305","","","","","","0.9782","","","","has coordinates","190076","2020-10-21","18:00:00",""
"7227158","9.1549","0.001","13.0427","0.001","15.0857","0.001","69.094","0.01","88.905","0.01","77.835","0.01","1641.8","0.3","120","","120","","","","100","","","","","5","P -1","-P 1","2","","","","- C26 H43 Cl2 N5 O10 -","- C26 H43 Cl2 N5 O10 -","- C52 H86 Cl4 N10 O20 -","2","1","","Tieger, Eszter; Kiss, Violetta; Pokol, György; Finta, Zoltán; Rohlíček, Jan; Skořepová, Eliška; Dušek, Michal","Rationalization of the formation and stability of bosutinib solvated forms","CrystEngComm","2016","18","48","9260","","10.1039/C6CE01834C","","","1.54184","CuKα","","0.0604","0.0492","","0.1367","0.1267","0.1367","","","","","","0.9762","","","","has coordinates","190076","2020-10-21","18:00:00",""
"7227159","10.3869","0.0004","10.6513","0.0004","14.8652","0.0005","104.472","0.003","97.659","0.003","91.287","0.003","1575.54","0.1","120","","120","","","","100","","","","","5","P -1","-P 1","2","","","","- C29 H41 Cl2 N5 O6 -","- C29 H41 Cl2 N5 O6 -","- C58 H82 Cl4 N10 O12 -","2","1","","Tieger, Eszter; Kiss, Violetta; Pokol, György; Finta, Zoltán; Rohlíček, Jan; Skořepová, Eliška; Dušek, Michal","Rationalization of the formation and stability of bosutinib solvated forms","CrystEngComm","2016","18","48","9260","","10.1039/C6CE01834C","","","1.5418","CuKα","","0.0637","0.0536","","0.1525","0.138","0.1523","","","","","","0.9695","","","","has coordinates","190076","2020-10-21","18:00:00",""
"7227160","12.3231","0.001","13.9721","0.001","30.2678","0.001","90","","90","","90","","5211.5","0.6","120","","120","","","","100","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C26 H31 Cl2 N5 O4 -","- C26 H31 Cl2 N5 O4 -","- C208 H248 Cl16 N40 O32 -","8","1","","Tieger, Eszter; Kiss, Violetta; Pokol, György; Finta, Zoltán; Rohlíček, Jan; Skořepová, Eliška; Dušek, Michal","Rationalization of the formation and stability of bosutinib solvated forms","CrystEngComm","2016","18","48","9260","","10.1039/C6CE01834C","","","1.5418","CuKα","","0.0446","0.0404","","0.0933","0.0913","0.0932","","","","","","0.9177","","","","has coordinates,has disorder","190076","2020-10-21","18:00:00",""
"7227161","10.6335","0.0002","14.8355","0.0003","22.083","0.0004","72.0962","0.0017","81.9476","0.0017","81.2892","0.0017","3260.49","0.11","120","","120","","","","100","","","","","6","P -1","-P 1","2","","","","- C28 H41 Cl2 N5 O7 S -","- C28 H41 Cl2 N5 O7 S -","- C112 H164 Cl8 N20 O28 S4 -","4","2","","Tieger, Eszter; Kiss, Violetta; Pokol, György; Finta, Zoltán; Rohlíček, Jan; Skořepová, Eliška; Dušek, Michal","Rationalization of the formation and stability of bosutinib solvated forms","CrystEngComm","2016","18","48","9260","","10.1039/C6CE01834C","","","1.5418","CuKα","","0.0606","0.0561","","0.152","0.1452","0.152","","","","","","0.9303","","","","has coordinates","190076","2020-10-21","18:00:00",""
"7227162","12.3214","0.0002","12.7934","0.0002","20.7918","0.0003","90","","102.051","0.0012","90","","3205.24","0.09","120","","120","","","","100","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C26 H41 Cl2 N5 O9 -","- C26 H41 Cl2 N5 O9 -","- C104 H164 Cl8 N20 O36 -","4","1","","Tieger, Eszter; Kiss, Violetta; Pokol, György; Finta, Zoltán; Rohlíček, Jan; Skořepová, Eliška; Dušek, Michal","Rationalization of the formation and stability of bosutinib solvated forms","CrystEngComm","2016","18","48","9260","","10.1039/C6CE01834C","","","1.5418","CuKα","","0.0349","0.0312","","0.0797","0.0772","0.0797","","","","","","0.9744","","","","has coordinates","190076","2020-10-21","18:00:00",""
"7227163","10.294","0.001","11.1936","0.001","14.8961","0.001","107.974","0.01","98.064","0.01","90.706","0.01","1613.7","0.3","120","","120","","","","100","","","","","5","P -1","-P 1","2","","","","- C30 H41 Cl2 N5 O7 -","- C30 H41 Cl2 N5 O7 -","- C60 H82 Cl4 N10 O14 -","2","1","","Tieger, Eszter; Kiss, Violetta; Pokol, György; Finta, Zoltán; Rohlíček, Jan; Skořepová, Eliška; Dušek, Michal","Rationalization of the formation and stability of bosutinib solvated forms","CrystEngComm","2016","18","48","9260","","10.1039/C6CE01834C","","","1.5418","CuKα","","0.0447","0.0423","","0.1126","0.1102","0.1126","","","","","","0.9439","","","","has coordinates","190076","2020-10-21","18:00:00",""
"7227164","15.0423","0.001","11.6835","0.001","31.4491","0.001","90","","92.372","0.01","90","","5522.3","0.6","120","","120","","","","100","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C27 H33 Cl2 N5 O4 -","- C27 H33 Cl2 N5 O4 -","- C216 H264 Cl16 N40 O32 -","8","2","","Tieger, Eszter; Kiss, Violetta; Pokol, György; Finta, Zoltán; Rohlíček, Jan; Skořepová, Eliška; Dušek, Michal","Rationalization of the formation and stability of bosutinib solvated forms","CrystEngComm","2016","18","48","9260","","10.1039/C6CE01834C","","","1.54184","CuKα","","0.102","0.0556","","0.151","0.1209","0.1507","","","","","","0.92","","","","has coordinates","190076","2020-10-21","18:00:00",""
"7227165","24.1866","0.0011","8.1122","0.0002","13.0215","0.0006","90","","91.868","0.003","90","","2553.55","0.18","293","","293","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","Bosutinib anhydrate","","- C26 H29 Cl2 N5 O3 -","- C26 H29 Cl2 N5 O3 -","- C104 H116 Cl8 N20 O12 -","4","1","","Tieger, Eszter; Kiss, Violetta; Pokol, György; Finta, Zoltán; Rohlíček, Jan; Skořepová, Eliška; Dušek, Michal","Rationalization of the formation and stability of bosutinib solvated forms","CrystEngComm","2016","18","48","9260","","10.1039/C6CE01834C","powder diffraction","x-ray","1.5418","CuKα","","0.077","0.0766","","0.1022","0.1022","","","","3.88","","","","","","","has coordinates","190076","2020-10-21","18:00:00",""
"7227166","9.5877","0.0006","12.476","0.0012","12.9719","0.0007","80.606","0.004","77.792","0.004","71.174","0.004","1427.84","0.19","293","","293","","","","","","","","","5","P -1","-P 1","2","","","","- C26 H28 Cl2 N5 O4 -","- C26 H28 Cl2 N5 O4 -","- C52 H56 Cl4 N10 O8 -","2","1","","Tieger, Eszter; Kiss, Violetta; Pokol, György; Finta, Zoltán; Rohlíček, Jan; Skořepová, Eliška; Dušek, Michal","Rationalization of the formation and stability of bosutinib solvated forms","CrystEngComm","2016","18","48","9260","","10.1039/C6CE01834C","powder diffraction","x-ray","1.5418","CuKα","","0.0876","0.0841","","0.0769","0.0766","","","","1.93","","","","","","","has coordinates","190076","2020-10-21","18:00:00",""
"7227167","23.385","0.002","5.3635","0.0004","17.4866","0.0016","90","","110.455","0.01","90","","2055","0.3","123","2","123","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C28 H20 N2 O4 -","- C28 H20 N2 O4 -","- C112 H80 N8 O16 -","4","0.5","","Calvo-Castro, Jesus; Maczka, Sebastian; Thomson, Connor; Morris, Graeme; Kennedy, Alan R.; McHugh, Callum J.","Twist and shout: a surprising synergy between aryl and N-substituents defines the computed charge transport properties in a series of crystalline diketopyrrolopyrroles","CrystEngComm","2016","18","48","9382","","10.1039/C6CE02261H","","","1.5418","CuKα","","0.0974","0.0508","","","0.1113","0.1346","","","","","","1.04","","","","has coordinates","190077","2020-10-21","18:00:00",""
"7227168","5.5724","0.0003","11.3414","0.0007","17.3547","0.0009","90","","96.822","0.005","90","","1089.03","0.11","123","2","123","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C28 H20 N2 O2 S2 -","- C28 H20 N2 O2 S2 -","- C56 H40 N4 O4 S4 -","2","0.5","","Calvo-Castro, Jesus; Maczka, Sebastian; Thomson, Connor; Morris, Graeme; Kennedy, Alan R.; McHugh, Callum J.","Twist and shout: a surprising synergy between aryl and N-substituents defines the computed charge transport properties in a series of crystalline diketopyrrolopyrroles","CrystEngComm","2016","18","48","9382","","10.1039/C6CE02261H","","","1.5418","CuKα","","0.0692","0.0569","","","0.1514","0.1642","","","","","","1.077","","","","has coordinates","190077","2020-10-21","18:00:00",""
"7227169","10.6964","0.0011","25.365","0.003","6.2244","0.0006","90","","90","","90","","1688.8","0.3","103","2","103","2","","","","","","","","4","P n a 21","P 2c -2n","33","","5-methyl-6,9-dioxobicyclo[3.3.1]nonan-2-yl 3,5-dinitrobenzoate","","- C17 H16 N2 O8 -","- C17 H16 N2 O8 -","- C68 H64 N8 O32 -","4","1","","Marson, C. M.; Richard, Jean-Alexandre; Promontorio, Rossella","Domino Michael-Aldol Annulations for the Stereocontrolled Synthesis of Bicyclo[3.3.1]nonane and Bicyclo[3.2.1]octane Derivatives","RSC Adv.","2016","","","","","10.1039/C6RA23523A","","","0.71073","MoKα","","0.0542","0.0446","","","0.1037","0.1094","","","","","","1.009","","","","has coordinates","188645","2020-10-21","18:00:00",""
"7227170","12.6185","0.0016","6.4539","0.0008","28.975","0.004","90","","100.15","0.002","90","","2322.8","0.5","103","2","103","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","1,3,3,7-tetramethylbicyclo[3.3.1]nonane-2,6,9-trione","","- C13 H18 O3 -","- C13 H18 O3 -","- C104 H144 O24 -","8","2","","Marson, C. M.; Richard, Jean-Alexandre; Promontorio, Rossella","Domino Michael-Aldol Annulations for the Stereocontrolled Synthesis of Bicyclo[3.3.1]nonane and Bicyclo[3.2.1]octane Derivatives","RSC Adv.","2016","","","","","10.1039/C6RA23523A","","","0.71073","MoKα","","0.0846","0.0623","","","0.1622","0.1786","","","","","","1.029","","","","has coordinates","188645","2020-10-21","18:00:00",""
"7227171","7.4292","0.0002","10.7679","0.0002","20.5682","0.0004","90","","90","0.001","90","","1645.39","0.06","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C17.05 H16.14 I N O S -","- C16.873 H15.619 I N O S -","- C67.492 H62.476 I4 N4 O4 S4 -","4","1","","Mekhzoum, M. E. M.; Essassi, E. M.; Qaiss, A.; Bouhfid, R.","Fluorescent bio-nanocomposites based on chitosan reinforced hemicyanine dye-modified montmorillonite","RSC Adv.","2016","6","112","111472","","10.1039/C6RA23320A","","x-ray","0.71073","MoKα","","0.0473","0.0311","","","0.0755","0.086","","","","","","1.021","","","","has coordinates,has disorder","188660","2020-10-21","18:00:00",""
"7227172","7.7022","0.0008","10.3394","0.0011","11.3339","0.0012","97.09","0.004","99.284","0.004","91.95","0.004","882.61","0.16","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C18 H18 I N O S -","- C18 H18 I N O S -","- C36 H36 I2 N2 O2 S2 -","2","1","","Mekhzoum, M. E. M.; Essassi, E. M.; Qaiss, A.; Bouhfid, R.","Fluorescent bio-nanocomposites based on chitosan reinforced hemicyanine dye-modified montmorillonite","RSC Adv.","2016","6","112","111472","","10.1039/C6RA23320A","","","0.71073","MoKα","","0.0285","0.0225","","","0.061","0.0774","","","","","","1.182","","","","has coordinates","188660","2020-10-21","18:00:00",""
"7227177","5.5709","0.0011","15.994","0.003","16.547","0.003","90","","90","","90","","1474.4","0.5","173","2","173","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C15 H24 O5 -","- C15 H24 O5 -","- C60 H96 O20 -","4","1","","Lin, Jie; Wang, Renlei; Xu, Guohua; Ding, Zhengfeng; Zhu, Xueshen; Liu, Xingzhong; Zou, Jian; Chen, Guodong; Li, Li; Liu, Ling","New cadinane sesquiterpenoids from the basidiomycetous fungus Pholiota sp.","RSC Adv.","2016","","","","","10.1039/C6RA22448B","","","0.71073","MoKα","","0.0471","0.045","","","0.1089","0.1104","","","","","","1.11","","","","has coordinates,has disorder","188669","2020-10-21","18:00:00",""
"7227178","16.315","0.003","17.05","0.003","5.2386","0.001","90","","90","","90","","1457.2","0.5","173","2","173","2","","","","","","","","3","P 21 21 2","P 2 2ab","18","","","","- C15 H23 O3.5 -","- C15 H23 O3.5 -","- C60 H92 O14 -","4","1","","Lin, Jie; Wang, Renlei; Xu, Guohua; Ding, Zhengfeng; Zhu, Xueshen; Liu, Xingzhong; Zou, Jian; Chen, Guodong; Li, Li; Liu, Ling","New cadinane sesquiterpenoids from the basidiomycetous fungus Pholiota sp.","RSC Adv.","2016","","","","","10.1039/C6RA22448B","","","0.71073","MoKα","","0.0439","0.043","","","0.1026","0.1031","","","","","","1.112","","","","has coordinates","206958","2020-10-21","18:00:00",""
"7227188","13.2828","0.0014","14.5265","0.0015","22.502","0.002","90","","90","","90","","4341.8","0.7","294","2","294","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C23 H27 N O5 S -","- C23 H27 N O5 S -","- C184 H216 N8 O40 S8 -","8","1","","Basireddy, Venkata Subba Reddy; reddy, rajashekhar; Kumar, ravi; Yarlagadda, suresh; reddy, ravikumar; Yadav, Jhillu S.; Balasubramanian, Sridhar","Sequential hydroarylation/Prins cyclization: An efficient strategy for the synthesis of angularly fused tetrahydro-2H-pyrano[3,4-c]quinolines","RSC Adv.","2016","","","","","10.1039/C6RA21375H","","","0.71073","MoKα","","0.0762","0.0658","","","0.1599","0.1672","","","","","","1.158","","","","has coordinates","188736","2020-10-21","18:00:00",""
"7227189","7.251","0.003","10.585","0.003","14.082","0.004","78.553","0.014","78.63","0.017","78.805","0.017","1024.9","0.6","150","1","150","1","","","","","","","","4","P -1","-P 1","2","","PTCDI-C6 and coronene cocrystal","","- C60 H42 N2 O4 -","- C60 H42 N2 O4 -","- C60 H42 N2 O4 -","1","0.5","","Wang, Chen; Wang, Jianlin; Wu, Na; Xu, Miao; Yang, Xiaomei; lu, yalin; Zang, Ling","Donor-Acceptor Single Cocrystal of Coronene and Perylene Diimide: Molecular Self-Assembly and Charge-Transfer Photoluminescence","RSC Adv.","2016","","","","","10.1039/C6RA25447K","","","0.71073","MoKα","","0.119","0.0627","","","0.155","0.1923","","","","","","1.02","","","","has coordinates","188737","2020-10-21","18:00:00",""
"7227214","27.1936","0.0017","12.096","0.0005","22.8296","0.0011","90","","113.511","0.007","90","","6886","0.7","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C36 H40 Br2 Co N2 -","- C36 H40 Br2 Co N2 -","- C288 H320 Br16 Co8 N16 -","8","2","","Alnajrani, Mohammed; Alshmimri, Sultan A.; Alsager, Omar A.","Alpha and beta diimine cobalt complexes in isoprene polymerization: a comparative study","RSC Adv.","2016","","","","","10.1039/C6RA23308B","","","0.71073","MoKα","","0.104","0.0751","","","0.1654","0.1763","","","","","","1.143","","","","has coordinates","203412","2020-10-21","18:00:00",""
"7227215","19.4172","0.0012","7.9998","0.0003","21.5","0.0011","90","","101.005","0.005","90","","3278.3","0.3","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C30 H44 Br2 Cl2 Co N2 -","- C30 H44 Br2 Cl2 Co N2 -","- C120 H176 Br8 Cl8 Co4 N8 -","4","1","","Alnajrani, Mohammed; Alshmimri, Sultan A.; Alsager, Omar A.","Alpha and beta diimine cobalt complexes in isoprene polymerization: a comparative study","RSC Adv.","2016","","","","","10.1039/C6RA23308B","","","0.71073","MoKα","","0.0759","0.045","","","0.0803","0.0904","","","","","","1.022","","","","has coordinates","188804","2020-10-21","18:00:00",""
"7227223","15.9526","0.0005","7.7424","0.0003","24.6748","0.001","90","","106.237","0.004","90","","2926.1","0.2","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C30 H32 B Cl F4 N4 Ru -","- C30 H32 B Cl F4 N4 Ru -","- C120 H128 B4 Cl4 F16 N16 Ru4 -","4","1","","Khamrang, Themmila; Kartikeyan, Radhakrishnan; Velusamy, Marappan; Rajendiran, Venugopal; R, Dhivya; Perumalsamy, Balaji; M. A., Akbarsha; Palaniandavar, Mallayan","Synthesis, Structures, and DNA and Protein Binding of Ruthenium(II)-p-Cymene Complexes of Substituted Pyridylimidazo[1,5-a]pyridine: Enhanced Cytotoxicity of Complexes of Ligands Appended with Carbazole Moiety","RSC Adv.","2016","","","","","10.1039/C6RA23663D","","","0.71073","MoKα","","0.0564","0.0426","","","0.0932","0.1013","","","","","","1.092","","","","has coordinates","188834","2020-10-21","18:00:00",""
"7227224","12.4248","0.0003","11.9615","0.0004","24.8642","0.0006","90","","97.198","0.002","90","","3666.18","0.18","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C40 H36 B Cl F4 N4 Ru -","- C40 H36 B Cl F4 N4 Ru -","- C160 H144 B4 Cl4 F16 N16 Ru4 -","4","1","","Khamrang, Themmila; Kartikeyan, Radhakrishnan; Velusamy, Marappan; Rajendiran, Venugopal; R, Dhivya; Perumalsamy, Balaji; M. A., Akbarsha; Palaniandavar, Mallayan","Synthesis, Structures, and DNA and Protein Binding of Ruthenium(II)-p-Cymene Complexes of Substituted Pyridylimidazo[1,5-a]pyridine: Enhanced Cytotoxicity of Complexes of Ligands Appended with Carbazole Moiety","RSC Adv.","2016","","","","","10.1039/C6RA23663D","","","0.71073","MoKα","","0.0742","0.0526","","","0.1437","0.1623","","","","","","1.074","","","","has coordinates","188834","2020-10-21","18:00:00",""
"7227225","12.0308","0.0005","11.1279","0.0004","27.6398","0.0009","90","","102.338","0.004","90","","3614.9","0.2","293","2","293","2","","","","","","","","9","P 1 21/n 1","-P 2yn","14","","","","- C40 H34 B Cl F4 N4 O Ru S0 -","- C40 H34 B Cl F4 N4 O Ru -","- C160 H136 B4 Cl4 F16 N16 O4 Ru4 -","4","1","","Khamrang, Themmila; Kartikeyan, Radhakrishnan; Velusamy, Marappan; Rajendiran, Venugopal; R, Dhivya; Perumalsamy, Balaji; M. A., Akbarsha; Palaniandavar, Mallayan","Synthesis, Structures, and DNA and Protein Binding of Ruthenium(II)-p-Cymene Complexes of Substituted Pyridylimidazo[1,5-a]pyridine: Enhanced Cytotoxicity of Complexes of Ligands Appended with Carbazole Moiety","RSC Adv.","2016","","","","","10.1039/C6RA23663D","","","0.71073","MoKα","","0.098","0.0686","","","0.1767","0.1997","","","","","","1.054","","","","has coordinates","188834","2020-10-21","18:00:00",""
"7227226","11.1799","0.0011","22.336","0.002","8.894","0.0009","90","","112.803","0.002","90","","2047.4","0.3","120","2","120","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C22 H17 Cl N4 O2 S -","- C22 H17 Cl N4 O2 S -","- C88 H68 Cl4 N16 O8 S4 -","4","1","","Luo, Hua-Ying; Li, Jin-Yu; Li, Yue; Zhang, Li; Li, Jin-Yao; jia, dianzeng; Xu, Guan-Cheng","Cadmium(II) complexes with 4-acyl pyrazolone derivative and co-ligands: crystal structure and antitumor activity","RSC Adv.","2016","","","","","10.1039/C6RA23938B","","","0.71073","MoKα","","0.0369","0.0341","","","0.0876","0.0897","","","","","","1.042","","","","has coordinates","188835","2020-10-21","18:00:00",""
"7227227","28.215","0.002","9.7235","0.0008","17.3731","0.0014","90","","100.069","0.001","90","","4692.9","0.6","120","2","120","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C47 H44 Cd Cl2 N8 O7 S2 -","- C47 H44 Cd Cl2 N8 O7 S2 -","- C188 H176 Cd4 Cl8 N32 O28 S8 -","4","0.5","","Luo, Hua-Ying; Li, Jin-Yu; Li, Yue; Zhang, Li; Li, Jin-Yao; jia, dianzeng; Xu, Guan-Cheng","Cadmium(II) complexes with 4-acyl pyrazolone derivative and co-ligands: crystal structure and antitumor activity","RSC Adv.","2016","","","","","10.1039/C6RA23938B","","","0.71073","MoKα","","0.0732","0.0677","","","0.2191","0.2289","","","","","","1.092","","","","has coordinates","188835","2020-10-21","18:00:00",""
"7227228","12.1579","0.0014","20.045","0.002","21.961","0.002","90","","94.411","0.002","90","","5336.2","0.9","120","2","120","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C56 H48 Cd Cl2 N10 O6 S2 -","- C56 H48 Cd Cl2 N10 O6 S2 -","- C224 H192 Cd4 Cl8 N40 O24 S8 -","4","1","","Luo, Hua-Ying; Li, Jin-Yu; Li, Yue; Zhang, Li; Li, Jin-Yao; jia, dianzeng; Xu, Guan-Cheng","Cadmium(II) complexes with 4-acyl pyrazolone derivative and co-ligands: crystal structure and antitumor activity","RSC Adv.","2016","","","","","10.1039/C6RA23938B","","","0.71073","MoKα","","0.1123","0.0681","","","0.1694","0.1982","","","","","","1.072","","","","has coordinates","188835","2020-10-21","18:00:00",""
"7227229","10.309","0.003","12.277","0.003","21.891","0.006","85.849","0.003","88.224","0.003","87.932","0.003","2760.4","1.3","120","2","120","2","","","","","","","","7","P -1","-P 1","2","","","","- C115 H92 Cd2 Cl4 N20 O11 S4 -","- C115 H92 Cd2 Cl4 N20 O11 S4 -","- C115 H92 Cd2 Cl4 N20 O11 S4 -","1","0.5","","Luo, Hua-Ying; Li, Jin-Yu; Li, Yue; Zhang, Li; Li, Jin-Yao; jia, dianzeng; Xu, Guan-Cheng","Cadmium(II) complexes with 4-acyl pyrazolone derivative and co-ligands: crystal structure and antitumor activity","RSC Adv.","2016","","","","","10.1039/C6RA23938B","","","0.71073","MoKα","","0.0764","0.0649","","","0.1842","0.1946","","","","","","1.099","","","","has coordinates","188835","2020-10-21","18:00:00",""
"7227230","11.7844","0.0005","24.2257","0.0011","16.382","0.0007","90","","101.332","0.002","90","","4585.6","0.3","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- H44 K0.5 N3.5 O54 P V14 -","- H41.576 K0.496 N3.504 O54 P V14 -","- H166.304 K1.984 N14.016 O216 P4 V56 -","4","0.5","","Postal, Kahoana; Maluf, Daniela Florêncio; Valdameri, Glaucio; Rüdiger, André Luis; Hughes, David L.; Sa, Eduardo Lemos de; Ribeiro, Ronny R.; Souza, Emanuel Maltempi de; Fernandes Soares, Jaisa; Nunes, Giovana G.","Chemoprotective activity of mixed valence polyoxovanadates against diethylsulfate in E. coli cultures: insights from chemichal speciation studies","RSC Adv.","2016","","","","","10.1039/C6RA15826A","","","0.71073","MoKα","","0.0357","0.0252","","","0.0654","0.0693","","","","","","1.041","","","","has coordinates,has disorder","188880","2020-10-21","18:00:00",""
"7227239","16.979","0.005","15.13","0.005","10.163","0.005","90","0.005","90","0.005","90","0.005","2610.8","1.7","293","2","293","2","","","","","","","","5","P n 21 a","P -2ac -2n","33","","","","- C26 H26 Fe N8 O3 -","- C26 H26 Fe N8 O3 -","- C104 H104 Fe4 N32 O12 -","4","1","","Ghosh, Kaushik; Tyagi, Nidhi; Singh, Ovender; Singh, Udai P.","Nitric oxide (NO) reactivity studies on mononuclear Iron(II) complexes supported by a tetradentate Schiff base Ligand","RSC Adv.","2016","","","","","10.1039/C6RA21659E","","","0.71073","MoKα","","0.0582","0.0367","","","0.0964","0.116","","","","","","0.813","","","","has coordinates","188971","2020-10-21","18:00:00",""
"7227240","9.885","0.004","12.712","0.005","13.207","0.005","94.82","0.02","111.057","0.019","101.56","0.02","1495.1","1.1","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C27 H21 Cl2 Fe N9 O2 -","- C27 H21 Cl2 Fe N9 O2 -","- C54 H42 Cl4 Fe2 N18 O4 -","2","1","","Ghosh, Kaushik; Tyagi, Nidhi; Singh, Ovender; Singh, Udai P.","Nitric oxide (NO) reactivity studies on mononuclear Iron(II) complexes supported by a tetradentate Schiff base Ligand","RSC Adv.","2016","","","","","10.1039/C6RA21659E","","","0.71073","MoKα","","0.1668","0.0988","","","0.2669","0.2877","","","","","","1.102","","","","has coordinates","188971","2020-10-21","18:00:00",""
"7227256","31.935","0.002","31.935","0.002","6.3894","0.0005","90","","90","","120","","5643.2","0.7","296","2","296","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- C13 H11 N3 Se -","- C13 H11 N3 Se -","- C234 H198 N54 Se18 -","18","1","","Sharma, Nidhi; Kumar, Sanjeev; Maurya, Indresh K.; Bhasin, K. K.; Verma, Ajay; Wangoo, Nishima; Bhasin, Aman K. K.; Mehta, S. K.; Kumar, Sangit; Sharma, Rohit K.","Synthesis, structural analysis, antimicrobial evaluation and synergistic studies of imidazo[1,2-a]pyrimidine chalcogenides","RSC Adv.","2016","6","115","114224","","10.1039/C6RA24020H","","x-ray","0.71073","MoKα","","0.076","0.0442","","","0.1088","0.1186","","","","","","1.102","","","","has coordinates","189025","2020-10-21","18:00:00",""
"7227265","23.4161","0.0015","37.487","0.002","32.528","0.002","90","","92.683","0.003","90","","28522","3","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C384 H324 N12 O12 Zn2 -","- C384 H324 N12 O12 Zn2 -","- C1536 H1296 N48 O48 Zn8 -","4","0.5","","Escudero, Eduardo Carmelo; Bauza, Antonio; Hernández-Eguía, Laura P; Würthner, Frank; Ballester, Pablo; Frontera, Antonio","Solid-state Inclusion of C60 and C70 in a Co-polymer Induced by Metal-Ligand Coordination of a Zn-Porphyrin Cage with a bis-pyridyl Perylene Derivative","CrystEngComm","2016","","","","","10.1039/C6CE02341J","","","0.71073","MoKα","","0.1472","0.1076","","","0.2956","0.3372","","","","","","1.041","","","","has coordinates,has disorder","189113","2020-10-21","18:00:00",""
"7227266","12.5655","0.0004","29.3398","0.0006","31.6215","0.0009","65.535","0.002","88.865","0.002","84.862","0.002","10566.6","0.5","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C254 H249 N12 O12 Zn2 -","- C254 H249 N12 O12 Zn2 -","- C508 H498 N24 O24 Zn4 -","2","1","","Escudero, Eduardo Carmelo; Bauza, Antonio; Hernández-Eguía, Laura P; Würthner, Frank; Ballester, Pablo; Frontera, Antonio","Solid-state Inclusion of C60 and C70 in a Co-polymer Induced by Metal-Ligand Coordination of a Zn-Porphyrin Cage with a bis-pyridyl Perylene Derivative","CrystEngComm","2016","","","","","10.1039/C6CE02341J","","","0.7107","MoKα","","0.121","0.0707","","","0.1848","0.2093","","","","","","1.034","","","","has coordinates,has disorder","189113","2020-10-21","18:00:00",""
"7227267","23.33","0.004","37.315","0.006","32.612","0.005","90","","92.835","0.004","90","","28356","8","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C374 H324 N12 O12 Zn2 -","- C374 H324 N12 O12 Zn2 -","- C1496 H1296 N48 O48 Zn8 -","4","0.5","","Escudero, Eduardo Carmelo; Bauza, Antonio; Hernández-Eguía, Laura P; Würthner, Frank; Ballester, Pablo; Frontera, Antonio","Solid-state Inclusion of C60 and C70 in a Co-polymer Induced by Metal-Ligand Coordination of a Zn-Porphyrin Cage with a bis-pyridyl Perylene Derivative","CrystEngComm","2016","","","","","10.1039/C6CE02341J","","","0.71073","MoKα","","0.1343","0.0629","","","0.1498","0.1852","","","","","","0.988","","","","has coordinates,has disorder","189113","2020-10-21","18:00:00",""
"7227273","8.955","0.0014","10.0767","0.0016","15.856","0.002","90","","98.022","0.002","90","","1416.8","0.4","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C25 H44 N3 Si2 Y -","- C25 H44 N3 Si2 Y -","- C50 H88 N6 Si4 Y2 -","2","1","","Chai, Zhuo; Chu, Jiang; Qi, Yunyi; Tang, Mujun; Hou, Jinsong; Yang, Gaosheng","Half-Sandwich Chiral Rare-Earth Metal Complexes with Linked Tridentate Amido-Indenyl Ligand: Synthesis, Characterization, and Catalytic Properties for Intramolecular Hydroamination","RSC Adv.","2016","","","","","10.1039/C6RA26537E","","","0.71073","MoKα","","0.062","0.0406","","","0.0861","0.0945","","","","","","0.978","","","","has coordinates","189176","2020-10-21","18:00:00",""
"7227274","8.9674","0.0007","10.0942","0.0008","16.0127","0.0012","90","","98.006","0.001","90","","1435.32","0.19","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C25 H44 N3 Si2 Sm -","- C25 H44 N3 Si2 Sm -","- C50 H88 N6 Si4 Sm2 -","2","1","","Chai, Zhuo; Chu, Jiang; Qi, Yunyi; Tang, Mujun; Hou, Jinsong; Yang, Gaosheng","Half-Sandwich Chiral Rare-Earth Metal Complexes with Linked Tridentate Amido-Indenyl Ligand: Synthesis, Characterization, and Catalytic Properties for Intramolecular Hydroamination","RSC Adv.","2016","","","","","10.1039/C6RA26537E","","","0.71073","MoKα","","0.0204","0.0187","","","0.0443","0.0451","","","","","","1","","","","has coordinates","189176","2020-10-21","18:00:00",""
"7227275","8.9592","0.0012","10.1194","0.0013","15.698","0.002","90","","98.047","0.001","90","","1409.2","0.3","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C25 H44 Lu N3 Si2 -","- C25 H44 Lu N3 Si2 -","- C50 H88 Lu2 N6 Si4 -","2","1","","Chai, Zhuo; Chu, Jiang; Qi, Yunyi; Tang, Mujun; Hou, Jinsong; Yang, Gaosheng","Half-Sandwich Chiral Rare-Earth Metal Complexes with Linked Tridentate Amido-Indenyl Ligand: Synthesis, Characterization, and Catalytic Properties for Intramolecular Hydroamination","RSC Adv.","2016","","","","","10.1039/C6RA26537E","","","0.71073","MoKα","","0.0225","0.0204","","","0.0467","0.0477","","","","","","1.021","","","","has coordinates","189176","2020-10-21","18:00:00",""
"7227276","8.9897","0.0009","10.1575","0.001","15.3828","0.0015","90","","97.86","0.001","90","","1391.5","0.2","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C25 H44 N3 Sc Si2 -","- C25 H44 N3 Sc Si2 -","- C50 H88 N6 Sc2 Si4 -","2","1","","Chai, Zhuo; Chu, Jiang; Qi, Yunyi; Tang, Mujun; Hou, Jinsong; Yang, Gaosheng","Half-Sandwich Chiral Rare-Earth Metal Complexes with Linked Tridentate Amido-Indenyl Ligand: Synthesis, Characterization, and Catalytic Properties for Intramolecular Hydroamination","RSC Adv.","2016","","","","","10.1039/C6RA26537E","","","0.71073","MoKα","","0.0522","0.0383","","","0.089","0.0957","","","","","","0.974","","","","has coordinates","189176","2020-10-21","18:00:00",""
"7227277","15.5031","0.0004","15.5031","0.0004","12.0934","0.0004","90","","90","","90","","2906.6","0.14","293","2","293","2","","","","","","","","5","I 41/a","-I 4ad","88","","","","- C12 H12 N22 O12 Zn5 -","- C12 H12 N22 O12 Zn5 -","- C48 H48 N88 O48 Zn20 -","4","","","Ye, Yingxiang; Wu, Xiuzhen; Yao, Zizhu; Wu, Ling; Cai, Zetao; Wang, Lihua; Ma, Xiuling; Chen, Qian-Huo; Zhang, Zhangjing; Xiang, Shengchang","Metal‒organic frameworks with a large breathing effect to host hydroxyl compounds for high anhydrous proton conductivity over a wide temperature range from subzero to 125 °C","J. Mater. Chem. A","2016","4","11","4062","4070","10.1039/c5ta10765b","","","1.54184","CuKα","","0.0402","0.032","","","0.0781","0.0847","","","","","","1.04","","","","has coordinates,has disorder","189226","2020-10-21","18:00:00",""
"7227278","11.9442","0.0016","19.1318","0.001","9.2109","0.0007","90","","109.821","0.012","90","","1980.1","0.4","293","2","293","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C10 H6 N3 O4 Zn1.5 -","- C10 H6 N3 O4 Zn1.5 -","- C40 H24 N12 O16 Zn6 -","4","0.5","","Ye, Yingxiang; Wu, Xiuzhen; Yao, Zizhu; Wu, Ling; Cai, Zetao; Wang, Lihua; Ma, Xiuling; Chen, Qian-Huo; Zhang, Zhangjing; Xiang, Shengchang","Metal‒organic frameworks with a large breathing effect to host hydroxyl compounds for high anhydrous proton conductivity over a wide temperature range from subzero to 125 °C","J. Mater. Chem. A","2016","4","11","4062","4070","10.1039/c5ta10765b","","","1.54184","CuKα","","0.0639","0.0428","","","0.0956","0.1043","","","","","","1.008","","","","has coordinates","189226","2020-10-21","18:00:00",""
"7227279","9.1768","0.0005","10.9017","0.0008","11.3961","0.0009","117.938","0.008","100.535","0.005","98.517","0.005","953.71","0.15","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C34 H36 N8 O12 Zn3 -","- C34 H36 N8 O12 Zn3 -","- C34 H36 N8 O12 Zn3 -","1","0.5","","Ye, Yingxiang; Wu, Xiuzhen; Yao, Zizhu; Wu, Ling; Cai, Zetao; Wang, Lihua; Ma, Xiuling; Chen, Qian-Huo; Zhang, Zhangjing; Xiang, Shengchang","Metal‒organic frameworks with a large breathing effect to host hydroxyl compounds for high anhydrous proton conductivity over a wide temperature range from subzero to 125 °C","J. Mater. Chem. A","2016","4","11","4062","4070","10.1039/c5ta10765b","","x-ray","1.54184","CuKα","","0.0956","0.081","","","0.2161","0.2326","","","","","","1.021","","","","has coordinates","189226","2020-10-21","18:00:00",""
"7227280","9.2142","0.0006","11.1531","0.0019","11.3582","0.0019","112.294","0.016","99.494","0.009","99.046","0.009","1033.8","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C10 H6 N3 O4 Zn1.5 -","- C10 H6 N3 O4 Zn1.5 -","- C20 H12 N6 O8 Zn3 -","2","1","","Ye, Yingxiang; Wu, Xiuzhen; Yao, Zizhu; Wu, Ling; Cai, Zetao; Wang, Lihua; Ma, Xiuling; Chen, Qian-Huo; Zhang, Zhangjing; Xiang, Shengchang","Metal‒organic frameworks with a large breathing effect to host hydroxyl compounds for high anhydrous proton conductivity over a wide temperature range from subzero to 125 °C","J. Mater. Chem. A","2016","4","11","4062","4070","10.1039/c5ta10765b","","","1.54184","CuKα","","0.1124","0.0835","","","0.1996","0.2213","","","","","","1.017","","","","has coordinates","189226","2020-10-21","18:00:00",""
"7227281","9.1743","0.0004","10.8488","0.0005","11.3458","0.0005","113.479","0.004","98.726","0.004","98.016","0.004","998.57","0.09","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C38 H47 N6 O11 Zn3 -","- C38 H47 N6 O11 Zn3 -","- C38 H47 N6 O11 Zn3 -","1","0.5","","Ye, Yingxiang; Wu, Xiuzhen; Yao, Zizhu; Wu, Ling; Cai, Zetao; Wang, Lihua; Ma, Xiuling; Chen, Qian-Huo; Zhang, Zhangjing; Xiang, Shengchang","Metal‒organic frameworks with a large breathing effect to host hydroxyl compounds for high anhydrous proton conductivity over a wide temperature range from subzero to 125 °C","J. Mater. Chem. A","2016","4","11","4062","4070","10.1039/c5ta10765b","","","1.54184","CuKα","","0.074","0.067","","","0.185","0.1937","","","","","","1.047","","","","has coordinates","189226","2020-10-21","18:00:00",""
"7227282","12.1742","0.0004","18.9858","0.0005","9.198","0.0003","90","","108.81","0.004","90","","2012.45","0.12","293","2","293","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C20 H12 N6 O8 Zn3 -","- C20 H12 N6 O8 Zn3 -","- C40 H24 N12 O16 Zn6 -","2","0.25","","Ye, Yingxiang; Wu, Xiuzhen; Yao, Zizhu; Wu, Ling; Cai, Zetao; Wang, Lihua; Ma, Xiuling; Chen, Qian-Huo; Zhang, Zhangjing; Xiang, Shengchang","Metal‒organic frameworks with a large breathing effect to host hydroxyl compounds for high anhydrous proton conductivity over a wide temperature range from subzero to 125 °C","J. Mater. Chem. A","2016","4","11","4062","4070","10.1039/c5ta10765b","","","1.54184","CuKα","","0.0284","0.0255","","","0.0748","0.0769","","","","","","1.079","","","","has coordinates","189226","2020-10-21","18:00:00",""
"7227283","8.6854","0.0005","19.7877","0.0008","7.9849","0.0005","90","","113.775","0.007","90","","1255.86","0.14","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C10 H6 N3 O4 Zn1.5 -","- C10 H6 N3 O4 Zn1.5 -","- C40 H24 N12 O16 Zn6 -","4","1","","Ye, Yingxiang; Wu, Xiuzhen; Yao, Zizhu; Wu, Ling; Cai, Zetao; Wang, Lihua; Ma, Xiuling; Chen, Qian-Huo; Zhang, Zhangjing; Xiang, Shengchang","Metal‒organic frameworks with a large breathing effect to host hydroxyl compounds for high anhydrous proton conductivity over a wide temperature range from subzero to 125 °C","J. Mater. Chem. A","2016","4","11","4062","4070","10.1039/c5ta10765b","","x-ray","1.54184","CuKα","","0.0608","0.042","","","0.1009","0.1119","","","","","","1.008","","","","has coordinates","189226","2020-10-21","18:00:00",""
"7234518","9.9507","0.0009","14.1404","0.0014","15.7474","0.0011","90","","90","","90","","2215.8","0.3","173","0.14","173","0.14","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C28 H22 F2 O2 -","- C28 H22 F2 O2 -","- C112 H88 F8 O8 -","4","1","","Zhiyong Yang; Wei Qin; Nelson L. C. Leung; Mathieu Arseneault; Jacky W. Y. Lam; Guodong Liang; Herman H. Y. Sung; Ian D. Williams; Ben Zhong Tang","A mechanistic study of AIE processes of TPE luminogens: intramolecular rotation vs. configurational isomerization","Journal of Materials Chemistry C","2016","4","","99","107","10.1039/C5TC02924D","","x-ray","1.5418","CuKα","","0.0465","0.0388","","","0.1006","0.1059","","","","","","1.009","","","","has coordinates","219245","2020-10-21","18:00:00",""
"7234519","9.9658","0.0005","10.8639","0.0005","10.6141","0.0005","90","","102.33","0.005","90","","1122.65","0.1","173","0.14","173","0.14","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C28 H22 F2 O2 -","- C28 H22 F2 O2 -","- C56 H44 F4 O4 -","2","1","","Zhiyong Yang; Wei Qin; Nelson L. C. Leung; Mathieu Arseneault; Jacky W. Y. Lam; Guodong Liang; Herman H. Y. Sung; Ian D. Williams; Ben Zhong Tang","A mechanistic study of AIE processes of TPE luminogens: intramolecular rotation vs. configurational isomerization","Journal of Materials Chemistry C","2016","4","","99","107","10.1039/C5TC02924D","","x-ray","0.7107","MoKα","","0.0716","0.0557","","","0.0975","0.1038","","","","","","1.003","","","","has coordinates","219245","2020-10-21","18:00:00",""
"7234520","10.717","0.005","21.264","0.005","11.42","0.005","90","0.005","113.404","0.005","90","0.005","2388.3","1.6","110","2","110","2","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","","","","- C35 H24 -","- C35 H24 -","- C140 H96 -","4","1","","Shiv Kumar; Deepak Kumar; Yogesh Patil; Satish Patil","Fluoranthene derivatives as blue fluorescent materials for non-doped organic light-emitting diodes","Journal of Materials Chemistry C","2016","4","","193","200","10.1039/C5TC02926K","","","0.71073","MoKα","","0.1048","0.0878","","","0.1669","0.1753","","","","","","1.116","","","","has coordinates","219246","2020-10-21","18:00:00",""
"7234521","10.4175","0.0004","24.6449","0.0011","8.6723","0.0004","90","","92.512","0.004","90","","2224.37","0.17","110","2","110","2","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","","","","- C34 H22 -","- C34 H22 -","- C136 H88 -","4","1","","Shiv Kumar; Deepak Kumar; Yogesh Patil; Satish Patil","Fluoranthene derivatives as blue fluorescent materials for non-doped organic light-emitting diodes","Journal of Materials Chemistry C","2016","4","","193","200","10.1039/C5TC02926K","","","0.71073","MoKα","","0.0508","0.0406","","","0.0945","0.1031","","","","","","1.009","","","","has coordinates","219246","2020-10-21","18:00:00",""
"7234522","10.6612","0.0005","12.3458","0.0005","13.5451","0.0005","65.985","0.004","69.792","0.004","64.799","0.004","1441.18","0.12","110","2","110","2","","","","","","","","3","P -1","-P 1","2","","","","- C40 H34 O -","- C40 H34 O -","- C80 H68 O2 -","2","1","","Shiv Kumar; Deepak Kumar; Yogesh Patil; Satish Patil","Fluoranthene derivatives as blue fluorescent materials for non-doped organic light-emitting diodes","Journal of Materials Chemistry C","2016","4","","193","200","10.1039/C5TC02926K","","","0.71073","MoKα","","0.051","0.0435","","","0.1067","0.1134","","","","","","1.07","","","","has coordinates","219246","2020-10-21","18:00:00",""
"7234523","13.735","0.0016","17.809","0.002","10.8399","0.0012","90","","112.052","0.003","90","","2457.5","0.5","298","2","298","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C35 H21 N -","- C35 H21 N -","- C140 H84 N4 -","4","1","","Shiv Kumar; Deepak Kumar; Yogesh Patil; Satish Patil","Fluoranthene derivatives as blue fluorescent materials for non-doped organic light-emitting diodes","Journal of Materials Chemistry C","2016","4","","193","200","10.1039/C5TC02926K","","","0.71073","MoKα","","0.0807","0.06","","","0.1688","0.2027","","","","","","1.1","","","","has coordinates","219246","2020-10-21","18:00:00",""
"7234524","12.5215","0.0016","24.786","0.003","15.897","0.002","90","","108.858","0.003","90","","4668.9","1","298","2","298","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C56 H63 O4.5 -","- C52 H50 O2 -","- C208 H200 O8 -","4","1","","Shiv Kumar; Deepak Kumar; Yogesh Patil; Satish Patil","Fluoranthene derivatives as blue fluorescent materials for non-doped organic light-emitting diodes","Journal of Materials Chemistry C","2016","4","","193","200","10.1039/C5TC02926K","","","0.71073","MoKα","","0.247","0.1392","","","0.3497","0.4037","","","","","","1.226","","","","has coordinates","219246","2020-10-21","18:00:00",""
"7234525","12.7268","0.0006","17.1535","0.0007","7.0352","0.0003","90","","90","","90","","1535.85","0.12","293","2","293","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C6 H8 Cl5 Fe N2 O3 -","- C6 H8 Cl5 Fe N2 O3 -","- C24 H32 Cl20 Fe4 N8 O12 -","4","0.5","","Tianliang Chen; Zhihua Sun; Sangen Zhao; Chengmin Ji; Junhua Luo","An organic-inorganic hybrid co-crystal complex as a high-performance solid-state nonlinear optical switch","Journal of Materials Chemistry C","2016","4","","266","271","10.1039/C5TC03278D","","","0.71073","MoKα","","0.0497","0.0421","","","0.1188","0.1272","","","","","","1.045","","","","has coordinates","219249","2020-10-21","18:00:00",""
"7234526","6.9337","0.0002","12.7285","0.0004","16.9517","0.0007","90","","90","","90","","1496.08","0.09","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C6 H20 Cl5 Fe N2 O3 -","- C6 H20 Cl5 Fe N2 O3 -","- C24 H80 Cl20 Fe4 N8 O12 -","4","1","","Tianliang Chen; Zhihua Sun; Sangen Zhao; Chengmin Ji; Junhua Luo","An organic-inorganic hybrid co-crystal complex as a high-performance solid-state nonlinear optical switch","Journal of Materials Chemistry C","2016","4","","266","271","10.1039/C5TC03278D","","","0.71073","MoKα","","0.0354","0.0301","","","0.064","0.068","","","","","","1.065","","","","has coordinates","219249","2020-10-21","18:00:00",""
"7234541","20.8833","0.0006","17.2831","0.0004","19.1606","0.0008","90","","121.054","0.001","90","","5924.5","0.3","147","2","147","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C38 H24 Co N6 O2 -","- C38 H24 Co N6 O2 -","- C304 H192 Co8 N48 O16 -","8","1","","R. A. Taylor; A. J. Lough; M. T. Lemaire","Spin-crossover in a homoleptic cobalt(ii) complex containing a redox-active NNO ligand","Journal of Materials Chemistry C","2016","4","","455","459","10.1039/C5TC03137K","","","1.54178","CuKα","","0.0489","0.0368","","","0.0852","0.0912","","","","","","1.031","","","","has coordinates","219278","2020-10-21","18:00:00",""
"7234542","21.2693","0.0009","17.2515","0.0007","19.103","0.0008","90","","120.899","0.002","90","","6014.6","0.5","325","2","325","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C38 H24 Co N6 O2 -","- C38 H24 Co N6 O2 -","- C304 H192 Co8 N48 O16 -","8","1","","R. A. Taylor; A. J. Lough; M. T. Lemaire","Spin-crossover in a homoleptic cobalt(ii) complex containing a redox-active NNO ligand","Journal of Materials Chemistry C","2016","4","","455","459","10.1039/C5TC03137K","","","1.54178","CuKα","","0.0566","0.0368","","","0.083","0.0935","","","","","","1.021","","","","has coordinates","219278","2020-10-21","18:00:00",""
"7234543","8.708","0.0004","15.9311","0.0009","9.559","0.0006","90","","111.714","0.004","90","","1232","0.12","150","1","150","1","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C15 H12 N4 -","- C15 H12 N4 -","- C60 H48 N16 -","4","1","","Filip Bures; Daniel Cvejn; Klara Melanova; Ludvik Benes; Jan Svoboda; Vitezslav Zima; Oldrich Pytela; Tomas Mikysek; Zdenka Ruzickova; I. V. Kityk; Artur Wojciechowski; Nasser AlZayed","Effect of intercalation and chromophore arrangement on the linear and nonlinear optical properties of model aminopyridine push-pull molecules","Journal of Materials Chemistry C","2016","4","","468","478","10.1039/C5TC03499J","","","0.71073","MoKα","","0.0599","0.0427","","","0.0914","0.1038","","","","","","1.123","","","","has coordinates","219280","2020-10-21","18:00:00",""
"7234544","8.2837","0.0017","15.617","0.006","25.025","0.007","90","","91.261","0.016","90","","3236.6","1.7","113","2","113","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C21 H16 N2 O3 -","- C21 H16 N2 O3 -","- C168 H128 N16 O24 -","8","2","","Guohui Yin; Yawen Ma; Yao Xiong; Xiaohui Cao; Yang Li; Ligong Chen","Enhanced AIE and different stimuli-responses in red fluorescent (1,3-dimethyl)barbituric acid-functionalized anthracenes","Journal of Materials Chemistry C","2016","4","","751","757","10.1039/C5TC03629A","","","0.71073","MoKα","","0.056","0.0425","","","0.1221","0.1296","","","","","","1.045","","","","has coordinates","219281","2020-10-21","18:00:00",""
"7234545","10.011","0.0009","6.9999","0.0006","11.576","0.001","90","","101.36","0.01","90","","795.31","0.12","100","","100","","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","","","- C19 H15 N3 O2 -","- C19 H15 N3 O2 -","- C38 H30 N6 O4 -","2","0.5","","Martin Ipuy; Yuan-Yuan Liao; Erwann Jeanneau; Patrice L. Baldeck; Yann Bretonniere; Chantal Andraud","Solid state red biphotonic excited emission from small dipolar fluorophores","Journal of Materials Chemistry C","2016","4","","766","779","10.1039/C5TC03465E","","","1.5418","CuKα","","0.0465","0.0448","","0.1059","0.1043","0.1059","","","","","","0.9391","","","","has coordinates","219284","2020-10-21","18:00:00",""
"7234546","8.0071","0.0005","15.2572","0.0008","14.989","0.001","90","","102.87","0.006","90","","1785.14","0.19","150","","150","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H17 N3 O3 -","- C20 H17 N3 O3 -","- C80 H68 N12 O12 -","4","1","","Martin Ipuy; Yuan-Yuan Liao; Erwann Jeanneau; Patrice L. Baldeck; Yann Bretonniere; Chantal Andraud","Solid state red biphotonic excited emission from small dipolar fluorophores","Journal of Materials Chemistry C","2016","4","","766","779","10.1039/C5TC03465E","","","1.5418","CuKα","","0.0502","0.0462","","0.0858","0.08","0.0858","","","","","","1.0087","","","","has coordinates","219284","2020-10-21","18:00:00",""
"7234547","13.854","0.002","15.11","0.002","16.697","0.003","90","","90","","90","","3495.2","0.9","150","","150","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C20 H17 N3 O3 -","- C20 H17 N3 O3 -","- C160 H136 N24 O24 -","8","1","","Martin Ipuy; Yuan-Yuan Liao; Erwann Jeanneau; Patrice L. Baldeck; Yann Bretonniere; Chantal Andraud","Solid state red biphotonic excited emission from small dipolar fluorophores","Journal of Materials Chemistry C","2016","4","","766","779","10.1039/C5TC03465E","","","1.5418","CuKα","","0.0755","0.0621","","0.1105","0.0947","0.1105","","","","","","1.0253","","","","has coordinates","219284","2020-10-21","18:00:00",""
"7234548","10.397","0.002","9.828","0.001","17.179","0.002","90","","94.99","0.01","90","","1748.7","0.4","150","","150","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H17 N3 O3 -","- C20 H17 N3 O3 -","- C80 H68 N12 O12 -","4","1","","Martin Ipuy; Yuan-Yuan Liao; Erwann Jeanneau; Patrice L. Baldeck; Yann Bretonniere; Chantal Andraud","Solid state red biphotonic excited emission from small dipolar fluorophores","Journal of Materials Chemistry C","2016","4","","766","779","10.1039/C5TC03465E","","","1.5418","CuKα","","0.0837","0.0661","","0.2043","0.1605","0.2043","","","","","","0.9987","","","","has coordinates","219284","2020-10-21","18:00:00",""
"7234549","15.229","0.002","7.5088","0.0007","16.639","0.001","90","","92.397","0.007","90","","1901","0.3","150","","150","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C21 H19 N3 O4 -","- C21 H19 N3 O4 -","- C84 H76 N12 O16 -","4","1","","Martin Ipuy; Yuan-Yuan Liao; Erwann Jeanneau; Patrice L. Baldeck; Yann Bretonniere; Chantal Andraud","Solid state red biphotonic excited emission from small dipolar fluorophores","Journal of Materials Chemistry C","2016","4","","766","779","10.1039/C5TC03465E","","x-ray","1.54184","CuKα","","0.0762","0.0693","","0.1412","0.1247","0.1412","","","","","","1.074","","","","has coordinates","219284","2020-10-21","18:00:00",""
"7234550","17.121","0.001","6.9428","0.0005","15.446","0.001","90","","90","","90","","1836","0.2","150","","150","","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C20 H17 N3 O3 -","- C20 H17 N3 O3 -","- C80 H68 N12 O12 -","4","0.5","","Martin Ipuy; Yuan-Yuan Liao; Erwann Jeanneau; Patrice L. Baldeck; Yann Bretonniere; Chantal Andraud","Solid state red biphotonic excited emission from small dipolar fluorophores","Journal of Materials Chemistry C","2016","4","","766","779","10.1039/C5TC03465E","","","1.5418","CuKα","","0.0422","0.0392","","0.1128","0.1081","0.1128","","","","","","1.0111","","","","has coordinates","219284","2020-10-21","18:00:00",""
"7234551","16.2981","0.0011","16.4911","0.0009","7.1281","0.0005","90","","100.738","0.006","90","","1882.3","0.2","100","","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C21 H19 N3 O4 -","- C21 H19 N3 O4 -","- C84 H76 N12 O16 -","4","1","","Martin Ipuy; Yuan-Yuan Liao; Erwann Jeanneau; Patrice L. Baldeck; Yann Bretonniere; Chantal Andraud","Solid state red biphotonic excited emission from small dipolar fluorophores","Journal of Materials Chemistry C","2016","4","","766","779","10.1039/C5TC03465E","","","1.54184","CuKα","","0.0812","0.0733","","","0.1925","0.2046","","","","","","1.067","","","","has coordinates","219284","2020-10-21","18:00:00",""
"7234552","11.627","","15.555","","22.222","","90","","90","","90","","4019.03","","296","2","296","2","","","","","","","","5","P m m m","-P 2 2","47","","","","- C66 H34 N6 O12 Zn2 -","- C66 H34 N6 O12 Zn2 -","- C66 H34 N6 O12 Zn2 -","1","0.125","","Zhiyong Guo; Dillip K. Panda; Krishnendu Maity; David Lindsey; T. Gannon Parker; Thomas E. Albrecht-Schmitt; Jorge L. Barreda-Esparza; Peng Xiong; Wei Zhou; Sourav Saha","Modulating the electrical conductivity of metal-organic framework films with intercalated guest pi-systems","Journal of Materials Chemistry C","2016","4","","894","899","10.1039/C5TC02232K","","","0.71073","MoKα","","","","","","","","","","","","","","","","","has coordinates","219287","2020-10-21","18:00:00",""
"7234553","27.2477","0.0011","21.3076","0.0011","8.9486","0.0004","90","","91.472","0.002","90","","5193.7","0.4","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C36 H23 N3 O -","- C36 H23 N3 O -","- C288 H184 N24 O8 -","8","2","","Pachaiyappan Rajamalli; Natarajan Senthilkumar; Parthasarathy Gandeepan; Chen-Zheng Ren-Wu; Hao-Wu Lin; Chien-Hong Cheng","A thermally activated delayed blue fluorescent emitter with reversible externally tunable emission","Journal of Materials Chemistry C","2016","4","","900","904","10.1039/C5TC03943F","","","0.71073","MoKα","","0.1153","0.0752","","","0.1821","0.2194","","","","","","1.057","","","","has coordinates","219288","2020-10-21","18:00:00",""
"7234554","22.1463","0.0003","10.5116","0.0001","8.1653","0.0001","90","","90","","90","","1900.83","0.04","133","2","133","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C19 H21 N3 O3 S2 -","- C19 H21 N3 O3 S2 -","- C76 H84 N12 O12 S8 -","4","1","","S. H. Habenicht; S. Schramm; S. Fischer; T. Sachse; F. Herrmann-Westendorf; A. Bellmann; B. Dietzek; M. Presselt; D. Weiss; R. Beckert; H. Gorls","Tuning the polarity and surface activity of hydroxythiazoles - extending the applicability of highly fluorescent self-assembling chromophores to supra-molecular photonic structures","Journal of Materials Chemistry C","2016","4","","958","971","10.1039/C5TC03632A","","","0.71073","MoKα","","0.0222","0.0217","","","0.0588","0.0593","","","","","","1.076","","","","has coordinates","219289","2020-10-21","18:00:00",""
"7234555","7.0339","0.0001","12.5011","0.0003","12.5338","0.0003","76.065","0.001","89.022","0.001","75.506","0.001","1034.54","0.04","133","2","133","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H22 N4 O5 S2 -","- C20 H22 N4 O5 S2 -","- C40 H44 N8 O10 S4 -","2","1","","S. H. Habenicht; S. Schramm; S. Fischer; T. Sachse; F. Herrmann-Westendorf; A. Bellmann; B. Dietzek; M. Presselt; D. Weiss; R. Beckert; H. Gorls","Tuning the polarity and surface activity of hydroxythiazoles - extending the applicability of highly fluorescent self-assembling chromophores to supra-molecular photonic structures","Journal of Materials Chemistry C","2016","4","","958","971","10.1039/C5TC03632A","","","0.71073","MoKα","","0.0339","0.0316","","","0.0794","0.0817","","","","","","1.067","","","","has coordinates","219289","2020-10-21","18:00:00",""
"7234556","8.7383","0.0001","18.1604","0.0002","6.7072","0.0001","90","","90","","90","","1064.37","0.02","297","2","297","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C6 H12 Dy N O8 -","- C6 H12 Dy N O8 -","- C24 H48 Dy4 N4 O32 -","4","1","","Maciej Ptak; Miroslaw Maczka; Anna Gagor; Pawel Gluchowski; Lucyna Macalik","Synthesis, structure and optical properties of two novel luminescent polar dysprosium metal-organic frameworks: [(CH3)2NH2][Dy(HCOO)4] and [N2H5][Dy(HCOO)4]","Journal of Materials Chemistry C","2016","4","","1019","1028","10.1039/C5TC04264J","","","0.71073","MoKα","","0.0131","0.0122","","","0.027","0.0273","","","","","","1.105","","","","has coordinates","219290","2020-10-21","18:00:00",""
"7234557","18.3359","0.0005","6.60183","0.00017","7.6049","0.0002","90","","90","","90","","920.58","0.04","298","2","298","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C4 H9 Dy N2 O8 -","- C4 H9 Dy N2 O8 -","- C16 H36 Dy4 N8 O32 -","4","1","","Maciej Ptak; Miroslaw Maczka; Anna Gagor; Pawel Gluchowski; Lucyna Macalik","Synthesis, structure and optical properties of two novel luminescent polar dysprosium metal-organic frameworks: [(CH3)2NH2][Dy(HCOO)4] and [N2H5][Dy(HCOO)4]","Journal of Materials Chemistry C","2016","4","","1019","1028","10.1039/C5TC04264J","","","0.7107","MoKα","","0.0151","0.0147","","","0.0375","0.0377","","","","","","1.116","","","","has coordinates","219290","2020-10-21","18:00:00",""
"7234558","33.005","0.012","3.7442","0.0013","10.782","0.004","90","","90","","90","","1332.4","0.8","93","","93","","","","","","","","","4","P m n 21","P 2ac -2","31","","B4PyMFB","","- C38 H25 F N4 -","- C38 H25 F N4 -","- C76 H50 F2 N8 -","2","0.5","","Takahiro Kamata; Hisahiro Sasabe; Yuichirio Watanabe; Daisuke Yokoyama; Hiroshi Katagiri; Junji Kido","A series of fluorinated phenylpyridine-based electron-transporters for blue phosphorescent OLEDs","Journal of Materials Chemistry C","2016","4","","1104","1110","10.1039/C5TC03879K","","","0.71075","MoKα","","0.0373","0.0335","","","0.0915","0.1054","","","","","","1.107","","","","has coordinates","219291","2020-10-21","18:00:00",""
"7234559","8.2294","0.0002","8.2294","0.0002","14.1221","0.0005","90","","90","","120","","828.26","0.04","298","2","298","2","","","","","","","","5","P -3 1 c","-P 3 2c","163","","","","- C8 H14 Fe2 N O12 -","- C7.9999 H14.0016 Fe2 N O12 -","- C15.9998 H28.0032 Fe4 N2 O24 -","2","0.166667","","Miroslaw Maczka; Aneta Ciupa; Anna Gagor; Adam Sieradzki; Adam Pikul; Maciej Ptak","Structural, magnetic and dielectric properties of two novel mixed-valence iron(ii)-iron(iii) metal formate frameworks","Journal of Materials Chemistry C","2016","4","","1186","1193","10.1039/C5TC03683F","","","0.7107","MoKα","","0.0458","0.0379","","","0.1059","0.1128","","","","","","1.093","","","","has coordinates,has disorder","219292","2020-10-21","18:00:00",""
"7234560","8.4483","0.0002","8.4483","0.0002","13.7058","0.0004","90","","90","","120","","847.18","0.04","260","2","260","2","","","","","","","","5","P -3 1 c","-P 3 2c","163","","","","- C10 H18 Fe2 N O12 -","- C9.9996 H17.9994 Fe2 N0.9999 O12 -","- C19.9992 H35.9988 Fe4 N1.9998 O24 -","2","0.166667","","Miroslaw Maczka; Aneta Ciupa; Anna Gagor; Adam Sieradzki; Adam Pikul; Maciej Ptak","Structural, magnetic and dielectric properties of two novel mixed-valence iron(ii)-iron(iii) metal formate frameworks","Journal of Materials Chemistry C","2016","4","","1186","1193","10.1039/C5TC03683F","","","0.71073","MoKα","","0.0337","0.0292","","","0.0771","0.0793","","","","","","1.084","","","","has coordinates,has disorder","219292","2020-10-21","18:00:00",""
"7234561","6.841","0.0014","7.313","0.0015","35.529","0.007","90","","90","","90","","1777.5","0.6","293","2","293","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C24 H16 N2 -","- C24 H16 N2 -","- C96 H64 N8 -","4","0.5","","Yuanxiang Xu; Kai Wang; Yujian Zhang; Zengqi Xie; Bo Zou; Yuguang Ma","Fluorescence mutation and structural evolution of a pi-conjugated molecular crystal during phase transition","Journal of Materials Chemistry C","2016","4","","1257","1262","10.1039/C5TC03745J","","","0.71073","MoKα","","0.0916","0.0565","","","0.129","0.1489","","","","","","1.034","","","","has coordinates","219293","2020-10-21","18:00:00",""
"7234562","26.93","0.006","6.9117","0.0014","9.772","0.002","90","","100.45","0.03","90","","1788.7","0.7","293","2","293","2","","","","","","","","3","P 1 2/c 1","-P 2yc","13","","","","- C24 H16 N2 -","- C24 H16 N2 -","- C96 H64 N8 -","4","1","","Yuanxiang Xu; Kai Wang; Yujian Zhang; Zengqi Xie; Bo Zou; Yuguang Ma","Fluorescence mutation and structural evolution of a pi-conjugated molecular crystal during phase transition","Journal of Materials Chemistry C","2016","4","","1257","1262","10.1039/C5TC03745J","","","0.71073","MoKα","","0.1382","0.0924","","","0.3063","0.3333","","","","","","1.063","","","","has coordinates","219293","2020-10-21","18:00:00",""
"7234563","9.0707","0.001","10.207","0.0012","16.8469","0.0019","76.256","0.002","79.265","0.002","85.927","0.002","1488","0.3","100","2","100","2","","","","","","","no","4","P -1","-P 1","2","TPM-i-TAZ","3,5,6-tris(3-(pyrimidin-5-yl)phenyl)-1,2,4-triazine","","- C34 H22 Cl3 N9 -","- C34 H22 Cl3 N9 -","- C68 H44 Cl6 N18 -","2","1","","Xiaojun Yin; Dongcheng Chen; Qiming Peng; Yepeng Xiang; Guohua Xie; Zece Zhu; Cheng Zhong; Feng Li; Shijian Su; Chuluo Yang","Rational utilization of intramolecular and intermolecular hydrogen bonds to achieve desirable electron transporting materials with high mobility and high triplet energy","Journal of Materials Chemistry C","2016","4","","1482","1489","10.1039/C5TC04198H","","","0.71073","MoKα","","0.0612","0.0492","","","0.1428","0.1656","","","","","","1.05","","","","has coordinates","219294","2020-10-21","18:00:00",""
"7234564","12.689","0.006","7.276","0.004","28.901","0.015","90","","94.641","0.007","90","","2660","2","296","2","296","2","","","","","","","no","3","P 1 21/n 1","-P 2yn","14","TPM-TAZ","2,4,6-tris(3-(pyrimidin-5-yl)phenyl)-1,3,5-triazine","","- C33 H21 N9 -","- C33 H21 N9 -","- C132 H84 N36 -","4","1","","Xiaojun Yin; Dongcheng Chen; Qiming Peng; Yepeng Xiang; Guohua Xie; Zece Zhu; Cheng Zhong; Feng Li; Shijian Su; Chuluo Yang","Rational utilization of intramolecular and intermolecular hydrogen bonds to achieve desirable electron transporting materials with high mobility and high triplet energy","Journal of Materials Chemistry C","2016","4","","1482","1489","10.1039/C5TC04198H","","","0.71073","MoKα","","0.0936","0.0555","","","0.1526","0.1836","","","","","","1.041","","","","has coordinates","219294","2020-10-21","18:00:00",""
"7234565","13.25","0.008","9.163","0.006","23.928","0.015","90","","102.006","0.008","90","","2842","3","296","2","296","2","","","","","","","no","3","P 1 21/c 1","-P 2ybc","14","TPM-TPB","1,3,5-tri(3-(pyrimidin-5-yl)phenyl)benzene","","- C36 H24 N6 -","- C36 H24 N6 -","- C144 H96 N24 -","4","1","","Xiaojun Yin; Dongcheng Chen; Qiming Peng; Yepeng Xiang; Guohua Xie; Zece Zhu; Cheng Zhong; Feng Li; Shijian Su; Chuluo Yang","Rational utilization of intramolecular and intermolecular hydrogen bonds to achieve desirable electron transporting materials with high mobility and high triplet energy","Journal of Materials Chemistry C","2016","4","","1482","1489","10.1039/C5TC04198H","","","0.71073","MoKα","","0.08","0.0585","","","0.18","0.2034","","","","","","1.081","","","","has coordinates,has disorder","219294","2020-10-21","18:00:00",""
"7234572","18.9533","0.0012","9.1195","0.0006","21.5823","0.0013","90","","113.281","0.002","90","","3426.6","0.4","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C41 H38 N4 O3 S -","- C41 H38 N4 O3 S -","- C164 H152 N16 O12 S4 -","4","1","","Wen Li; Yu-Mo Zhang; Ting Zhang; Weiran Zhang; Minjie Li; Sean Xiao-An Zhang","Tunable RGB luminescence of a single molecule with high quantum yields through a rational design","Journal of Materials Chemistry C","2016","4","","1527","1532","10.1039/C5TC03378K","","","0.71073","MoKα","","0.1242","0.0584","","","0.133","0.1604","","","","","","1.027","","","","has coordinates,has disorder","219325","2020-10-21","18:00:00",""
"7234573","7.96476","0.00007","7.96476","","7.96476","","90","","90","","90","","505.264","0.004","310","","310","","","","","","","","","4","F m -3 m","-F 4 2 3","225","","Pb2FeMoO6","","- Fe0.18 Mo0.15 O Pb0.33 -","- Fe0.183333 Mo0.15 O Pb0.333333 -","- Fe4.4 Mo3.6 O24 Pb8 -","24","0.125","","F. Mezzadri; D. Delmonte; F. Orlandi; C. Pernechele; G. Calestani; M. Solzi; M. Lantieri; G. Spina; R. Cabassi; F. Bolzoni; M. Fittipaldi; M. Merlini; A. Migliori; P. Manuel; E. Gilioli","Structural and magnetic characterization of the double perovskite Pb2FeMoO6","Journal of Materials Chemistry C","2016","4","","1533","1542","10.1039/C5TC03529E","powder diffraction","","","","","","","","","","","","","","","","","","","","has coordinates","219326","2020-10-21","18:00:00",""
"7234574","25.333","0.013","24.73","0.01","40.341","0.019","90","","97.579","0.016","90","","25052","2","190","1","190","1","","","","","","","","7","P 1 2/n 1","-P 2yac","13","","","","- C280 H356 Cd22 Cl14 La6 N20 O99 -","- C280 H356 Cd22 Cl14 La6 N20 O99 -","- C560 H712 Cd44 Cl28 La12 N40 O198 -","2","0.5","","Xiaoping Yang; Shiqing Wang; Lijie Zhang; Shaoming Huang; Zongping Li; Chengri Wang; Ting Zhu; Le Bo","First NIR luminescent polymeric high-nuclearity Cd-Ln nanoclusters from a long-chain Schiff base ligand","Journal of Materials Chemistry C","2016","4","","1589","1593","10.1039/C5TC04103A","","","0.710747","MoKα","","0.1488","0.0932","","","0.244","0.2715","","","","","","1.047","","","","has coordinates,has disorder","219327","2020-10-21","18:00:00",""
"7234575","24.724","0.005","24.125","0.005","39.007","0.008","90","","97.61","0.03","90","","23061","8","190","1","190","1","","","","","","","","7","P 1 2/n 1","-P 2yac","13","","","","- C280 H356 Cd22 Cl14 N20 Nd6 O99 -","- C280 H356 Cd22 Cl14 N20 Nd6 O99 -","- C560 H712 Cd44 Cl28 N40 Nd12 O198 -","2","0.5","","Xiaoping Yang; Shiqing Wang; Lijie Zhang; Shaoming Huang; Zongping Li; Chengri Wang; Ting Zhu; Le Bo","First NIR luminescent polymeric high-nuclearity Cd-Ln nanoclusters from a long-chain Schiff base ligand","Journal of Materials Chemistry C","2016","4","","1589","1593","10.1039/C5TC04103A","","","0.710747","MoKα","","0.0873","0.0561","","","0.1375","0.148","","","","","","1.068","","","","has coordinates,has disorder","219327","2020-10-21","18:00:00",""
"7234576","41.918","0.008","23.335","0.005","41.805","0.008","90","","113.62","0.03","90","","37466","16","190","1","190","1","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C254 H320 Cd18 Cl6 N18 O94 Yb6 -","- C254 H320 Cd18 Cl6 N18 O94 Yb6 -","- C1016 H1280 Cd72 Cl24 N72 O376 Yb24 -","4","0.5","","Xiaoping Yang; Shiqing Wang; Lijie Zhang; Shaoming Huang; Zongping Li; Chengri Wang; Ting Zhu; Le Bo","First NIR luminescent polymeric high-nuclearity Cd-Ln nanoclusters from a long-chain Schiff base ligand","Journal of Materials Chemistry C","2016","4","","1589","1593","10.1039/C5TC04103A","","","0.710747","MoKα","","0.0598","0.0428","","","0.0986","0.1036","","","","","","1.05","","","","has coordinates,has disorder","219327","2020-10-21","18:00:00",""
"7234577","10.4125","0.0002","12.731","0.0003","12.7806","0.0003","79.093","0.001","72.634","0.001","73.834","0.001","1542.61","0.06","150","2","150","2","","","","","","","","3","P -1","-P 1","2","","","","- C44 H26 S2 -","- C44 H26 S2 -","- C88 H52 S4 -","2","1","","Maxime Romain; Cassandre Quinton; Denis Tondelier; Bernard Geffroy; Olivier Jeannin; Joelle Rault-Berthelot; Cyril Poriel","Thioxanthene and dioxothioxanthene dihydroindeno[2,1-b]fluorenes: synthesis, properties and applications in green and sky blue phosphorescent OLEDs","Journal of Materials Chemistry C","2016","4","","1692","1703","10.1039/C5TC04039F","","x-ray","0.71073","MoKα","","0.0481","0.0377","","","0.1049","0.1238","","","","","","1.127","","","","has coordinates","219328","2020-10-21","18:00:00",""
"7234578","10.565","0.0009","14.5906","0.0015","14.793","0.0015","83.042","0.005","69.919","0.004","76.494","0.004","2080.4","0.4","150","2","150","2","","","","","","","synthesis as described","5","P -1","-P 1","2","","","","- C46 H28 Cl6 O4 S2 -","- C46 H28 Cl6 O4 S2 -","- C92 H56 Cl12 O8 S4 -","2","1","","Maxime Romain; Cassandre Quinton; Denis Tondelier; Bernard Geffroy; Olivier Jeannin; Joelle Rault-Berthelot; Cyril Poriel","Thioxanthene and dioxothioxanthene dihydroindeno[2,1-b]fluorenes: synthesis, properties and applications in green and sky blue phosphorescent OLEDs","Journal of Materials Chemistry C","2016","4","","1692","1703","10.1039/C5TC04039F","","x-ray","0.71073","MoKα","","0.0591","0.0448","","","0.1249","0.1495","","","","","","1.129","","","","has coordinates","219328","2020-10-21","18:00:00",""
"7234579","17.5098","0.0006","29.3221","0.0007","29.4471","0.0009","90","","98.14","0.002","90","","14966.5","0.8","293","2","293","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C152 H143 Ag6 Cl13 Cu O10 P9 -","- C152 H143 Ag6 Cl13 Cu O10 P9 -","- C608 H572 Ag24 Cl52 Cu4 O40 P36 -","4","1","","Liang-Jin Xu; Xu Zhang; Jin-Yun Wang; Zhong-Ning Chen","High-efficiency solution-processed OLEDs based on cationic Ag6Cu heteroheptanuclear cluster complexes with aromatic acetylides","Journal of Materials Chemistry C","2016","4","","1787","1794","10.1039/C5TC03886C","","","0.71073","MoKα","","0.0957","0.0884","","","0.226","0.2343","","","","","","1.046","","","","has coordinates,has disorder","219329","2020-10-21","18:00:00",""
"7234580","30.958","0.0002","30.958","0.0002","30.958","0.0002","90","","90","","90","","29670.1","0.3","293","2","293","2","","","","","","","","8","P a -3","-P 2ac 2ab 3","205","","","","- C149 H137 Ag6 Cl7 Cu O4 P9 S6 -","- C146 H131 Ag6 Cl0.5 Cu O2 P9 S6 -","- C1168 H1048 Ag48 Cl4 Cu8 O16 P72 S48 -","8","0.333333","","Liang-Jin Xu; Xu Zhang; Jin-Yun Wang; Zhong-Ning Chen","High-efficiency solution-processed OLEDs based on cationic Ag6Cu heteroheptanuclear cluster complexes with aromatic acetylides","Journal of Materials Chemistry C","2016","4","","1787","1794","10.1039/C5TC03886C","","","0.71073","MoKα","","0.0624","0.0614","","","0.1848","0.1862","","","","","","1.127","","","","has coordinates","219329","2020-10-21","18:00:00",""
"7234581","7.149","0.003","24.171","0.01","7.334","0.003","90","","90","","90","","1267.3","0.9","173","2","173","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C5 H16 Cl4 Mn N2 -","- C5 H16 Cl4 Mn N2 -","- C20 H64 Cl16 Mn4 N8 -","4","0.5","","Xing-Hui Lv; Wei-Qiang Liao; Peng-Fei Li; Zhong-Xia Wang; Chen-Yu Mao; Yi Zhang","Dielectric and photoluminescence properties of a layered perovskite-type organic-inorganic hybrid phase transition compound: NH3(CH2)5NH3MnCl4","Journal of Materials Chemistry C","2016","4","","1881","1885","10.1039/C5TC04114G","","","0.71073","MoKα","","0.0323","0.0288","","","0.0789","0.0814","","","","","","1.013","","","","has coordinates","219330","2020-10-21","18:00:00",""
"7234582","23.94","0.02","7.191","0.005","7.399","0.006","90","","90","","90","","1273.8","1.7","333","2","333","2","","","","","","","","5","I m m a","-I 2b 2","74","","","","- C5 H16 Cl4 Mn N2 -","- C5 H18 Cl4 Mn N2 -","- C20 H72 Cl16 Mn4 N8 -","4","0.25","","Xing-Hui Lv; Wei-Qiang Liao; Peng-Fei Li; Zhong-Xia Wang; Chen-Yu Mao; Yi Zhang","Dielectric and photoluminescence properties of a layered perovskite-type organic-inorganic hybrid phase transition compound: NH3(CH2)5NH3MnCl4","Journal of Materials Chemistry C","2016","4","","1881","1885","10.1039/C5TC04114G","","","0.71073","MoKα","","0.0312","0.0295","","","0.08","0.0814","","","","","","1.007","","","","has coordinates","219330","2020-10-21","18:00:00",""
"7234583","11.4422","0.0004","13.6499","0.0005","23.9769","0.0008","92.915","0.003","103.671","0.003","112.821","0.003","3311.2","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C118 H138 Eu4 N4 O43 -","- C118 H108 Eu4 N4 O43 -","- C118 H108 Eu4 N4 O43 -","1","0.5","","Liang Li; Qiang Chen; Zhigang Niu; Xinhui Zhou; Tao Yang; Wei Huang","Lanthanide metal-organic frameworks assembled from a fluorene-based ligand: selective sensing of Pb2+ and Fe3+ ions","Journal of Materials Chemistry C","2016","4","","1900","1905","10.1039/C5TC04320D","","","0.71073","MoKα","","0.1221","0.1089","","","0.297","0.3022","","","","","","1.224","","","","has coordinates","219331","2020-10-21","18:00:00",""
"7234584","11.4957","0.0004","13.6804","0.0004","23.9693","0.0008","76.328","0.003","76.214","0.003","66.917","0.003","3324.5","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C118 H138 Gd4 N4 O43 -","- C118 H108 Gd4 N4 O43 -","- C118 H108 Gd4 N4 O43 -","1","0.5","","Liang Li; Qiang Chen; Zhigang Niu; Xinhui Zhou; Tao Yang; Wei Huang","Lanthanide metal-organic frameworks assembled from a fluorene-based ligand: selective sensing of Pb2+ and Fe3+ ions","Journal of Materials Chemistry C","2016","4","","1900","1905","10.1039/C5TC04320D","","","0.71073","MoKα","","0.0781","0.0455","","","0.1085","0.1189","","","","","","1.03","","","","has coordinates","219331","2020-10-21","18:00:00",""
"7234585","11.4087","0.0008","13.6584","0.0008","24.023","0.0012","93.171","0.004","103.627","0.005","112.671","0.006","3312","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C118 H138 N4 O43 Sm4 -","- C118 H108 N4 O43 Sm4 -","- C118 H108 N4 O43 Sm4 -","1","0.5","","Liang Li; Qiang Chen; Zhigang Niu; Xinhui Zhou; Tao Yang; Wei Huang","Lanthanide metal-organic frameworks assembled from a fluorene-based ligand: selective sensing of Pb2+ and Fe3+ ions","Journal of Materials Chemistry C","2016","4","","1900","1905","10.1039/C5TC04320D","","","0.71073","MoKα","","0.1113","0.0899","","","0.2464","0.2595","","","","","","1.225","","","","has coordinates","219331","2020-10-21","18:00:00",""
"7234586","11.4646","0.0004","13.6288","0.0005","23.7978","0.0007","92.929","0.003","103.548","0.003","112.494","0.003","3298.6","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C118 H138 N4 O43 Tb4 -","- C118 H108 N4 O43 Tb4 -","- C118 H108 N4 O43 Tb4 -","1","0.5","","Liang Li; Qiang Chen; Zhigang Niu; Xinhui Zhou; Tao Yang; Wei Huang","Lanthanide metal-organic frameworks assembled from a fluorene-based ligand: selective sensing of Pb2+ and Fe3+ ions","Journal of Materials Chemistry C","2016","4","","1900","1905","10.1039/C5TC04320D","","","0.71073","MoKα","","0.0617","0.0503","","","0.1269","0.1314","","","","","","1.23","","","","has coordinates","219331","2020-10-21","18:00:00",""
"7234587","7.3303","0.0002","23.9278","0.0007","17.5078","0.0006","90","","99.1818","0.0017","90","","3031.49","0.16","100","","100","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","protonated BTImP","","- C35 H28 Cl N3 O3 S -","- C35 H28 Cl N3 O3 S -","- C140 H112 Cl4 N12 O12 S4 -","4","1","","Ken-ichi Sakai; Saki Tsuchiya; Takemitsu Kikuchi; Tomoyuki Akutagawa","An ESIPT fluorophore with a switchable intramolecular hydrogen bond for applications in solid-state fluorochromism and white light generation","Journal of Materials Chemistry C","2016","4","","2011","2016","10.1039/C5TC04290A","","","1.54187","CuKα","","0.1729","0.1044","","","0.2405","0.3273","","","","","","0.976","","","","has coordinates","219332","2020-10-21","18:00:00",""
"7234588","9.809","0.0003","12.1454","0.0003","15.3153","0.0004","110.622","0.0015","90.1616","0.0017","109.23","0.0014","1597.74","0.08","100","","100","","","","","","","","","5","P -1","-P 1","2","","BTImP","","- C39 H33 N3 O4 S -","- C39 H33 N3 O4 S -","- C78 H66 N6 O8 S2 -","2","1","","Ken-ichi Sakai; Saki Tsuchiya; Takemitsu Kikuchi; Tomoyuki Akutagawa","An ESIPT fluorophore with a switchable intramolecular hydrogen bond for applications in solid-state fluorochromism and white light generation","Journal of Materials Chemistry C","2016","4","","2011","2016","10.1039/C5TC04290A","","","1.54187","CuKα","","0.0937","0.0661","","","0.1417","0.1624","","","","","","0.959","","","","has coordinates","219332","2020-10-21","18:00:00",""
"7234589","8.7593","0.0004","13.946","0.0005","15.6865","0.0005","90","","95.93","0.003","90","","1905.96","0.13","110","2","110","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C32 H64 O6 P2 Ru -","- C32 H64 O6 P2 Ru -","- C64 H128 O12 P4 Ru2 -","2","0.5","","Janine Jeschke; Stefan Mockel; Marcus Korb; Tobias Ruffer; Khaybar Assim; Marcel Melzer; Gordon Herwig; Colin Georgi; Stefan E. Schulz; Heinrich Lang","Chemical vapor deposition of ruthenium-based layers by a single-source approach","Journal of Materials Chemistry C","2016","4","","2319","2328","10.1039/C5TC03930D","","","0.71073","MoKα","","0.0376","0.0318","","","0.0696","0.0715","","","","","","1.082","","","","has coordinates","219333","2020-10-21","18:00:00",""
"7234590","22.4889","0.0008","9.0891","0.0004","38.7408","0.0012","90","","102.185","0.003","90","","7740.4","0.5","109.95","0.1","110","","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C34 H68 O6 P2 Ru -","- C34 H68 O6 P2 Ru -","- C272 H544 O48 P16 Ru8 -","8","1","","Janine Jeschke; Stefan Mockel; Marcus Korb; Tobias Ruffer; Khaybar Assim; Marcel Melzer; Gordon Herwig; Colin Georgi; Stefan E. Schulz; Heinrich Lang","Chemical vapor deposition of ruthenium-based layers by a single-source approach","Journal of Materials Chemistry C","2016","4","","2319","2328","10.1039/C5TC03930D","","","0.71073","MoKα","","0.0339","0.0272","","","0.0625","0.0652","","","","","","1.047","","","","has coordinates","219333","2020-10-21","18:00:00",""
"7234591","8.3401","0.0008","31.639","0.003","15.0063","0.0016","90","","91.517","0.011","90","","3958.4","0.7","110","","110","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C32 H64 O8 P2 Ru -","- C32 H64 O8 P2 Ru -","- C128 H256 O32 P8 Ru4 -","4","0.5","","Janine Jeschke; Stefan Mockel; Marcus Korb; Tobias Ruffer; Khaybar Assim; Marcel Melzer; Gordon Herwig; Colin Georgi; Stefan E. Schulz; Heinrich Lang","Chemical vapor deposition of ruthenium-based layers by a single-source approach","Journal of Materials Chemistry C","2016","4","","2319","2328","10.1039/C5TC03930D","","","1.54184","CuKα","","0.0511","0.0488","","","0.1303","0.1343","","","","","","1.042","","","","has coordinates","219333","2020-10-21","18:00:00",""
"7234592","18.0972","0.0004","14.0559","0.0003","15.2263","0.0003","90","","94.708","0.002","90","","3860.08","0.14","110","","110","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C30 H54 F6 O6 P2 Ru -","- C30 H54 F6 O6 P2 Ru -","- C120 H216 F24 O24 P8 Ru4 -","4","1","","Janine Jeschke; Stefan Mockel; Marcus Korb; Tobias Ruffer; Khaybar Assim; Marcel Melzer; Gordon Herwig; Colin Georgi; Stefan E. Schulz; Heinrich Lang","Chemical vapor deposition of ruthenium-based layers by a single-source approach","Journal of Materials Chemistry C","2016","4","","2319","2328","10.1039/C5TC03930D","","","0.71073","MoKα","","0.0489","0.0366","","","0.0779","0.0824","","","","","","1.023","","","","has coordinates,has disorder","219333","2020-10-21","18:00:00",""
"7234593","23.178","0.0005","9.2295","0.0003","38.6832","0.0008","90","","102.737","0.002","90","","8071.5","0.4","109.85","0.1","109.85","0.1","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C32 H54 F10 O6 P2 Ru -","- C32 H54 F10 O6 P2 Ru -","- C256 H432 F80 O48 P16 Ru8 -","8","1","","Janine Jeschke; Stefan Mockel; Marcus Korb; Tobias Ruffer; Khaybar Assim; Marcel Melzer; Gordon Herwig; Colin Georgi; Stefan E. Schulz; Heinrich Lang","Chemical vapor deposition of ruthenium-based layers by a single-source approach","Journal of Materials Chemistry C","2016","4","","2319","2328","10.1039/C5TC03930D","","","0.71073","MoKα","","0.0361","0.0307","","","0.0781","0.0811","","","","","","1.041","","","","has coordinates","219333","2020-10-21","18:00:00",""
"7234594","17.656","0.006","5.5064","0.0019","15.448","0.006","90","","90.25","0.02","90","","1501.9","0.9","299","2","299","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","DTID-Hep2, Form 1","2,6-di(thiophen-2-yl)-s-indacene-1,5-dione-3,7-diyl diheptanoate","","- C60 H40 N O S -","- C68 H64 O12 S4 -","- C68 H64 O12 S4 -","1","0.25","","Xiaoqin Shen; Yonghao Zheng; Fred Wudl","Thermally induced reversible solid-state transformation of novel s-indacene 1,3,5,7-tetraone derivatives","Journal of Materials Chemistry C","2016","4","","2427","2431","10.1039/C5TC03953C","","","0.71073","MoKα","","0.1628","0.0742","","","0.0999","0.1065","","","","","","1.743","","","","has coordinates","219334","2020-10-21","18:00:00",""
"7234595","31.156","0.005","6.3506","0.0009","18.772","0.003","90","","124.84","0.011","90","","3048.4","0.9","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","DTID-Hep2 Form 2","2,6-di(thiophen-2-yl)-s-indacene-1,5-dione-3,7-diyl diheptanoate","","- C34 H34 O6 S2 -","- C33.544 H10 O6 S1.544 -","- C134.176 H40 O24 S6.176 -","4","0.5","","Xiaoqin Shen; Yonghao Zheng; Fred Wudl","Thermally induced reversible solid-state transformation of novel s-indacene 1,3,5,7-tetraone derivatives","Journal of Materials Chemistry C","2016","4","","2427","2431","10.1039/C5TC03953C","","","0.71073","MoKα","","0.1476","0.0808","","","0.2027","0.239","","","","","","1","","","","has coordinates","219334","2020-10-21","18:00:00",""
"7234596","20.427","0.018","28.01","0.03","5.26","0.005","90","","90","","90","","3010","5","100","2","100","2","","","","","","","","4","P 21 21 2","P 2 2ab","18","iso-DTID-Hep2","3,5-dioxo-2,6-di(thiophen-2-yl)-3,5-dihydro-s-indacene-1,7-diyl diheptanoate","","- C34 H34 O6 S2 -","- C34 H33 O6 S2 -","- C136 H132 O24 S8 -","4","1","","Xiaoqin Shen; Yonghao Zheng; Fred Wudl","Thermally induced reversible solid-state transformation of novel s-indacene 1,3,5,7-tetraone derivatives","Journal of Materials Chemistry C","2016","4","","2427","2431","10.1039/C5TC03953C","","","0.71073","MoKα","","0.139","0.0686","","","0.1169","0.1341","","","","","","1.12","","","","has coordinates","219334","2020-10-21","18:00:00",""
"7234618","16.469","0.002","15.5386","0.0012","14.54","0.003","90","","117.5","0.019","90","","3300.4","1","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C34 H32 Mg2 N2 O14 -","- C34 H32 Mg2 N2 O14 -","- C136 H128 Mg8 N8 O56 -","4","0.5","","Zhao-Feng Wu; Bin Tan; Zai-Lai Xie; Jing-Jing Fu; Xiao-Ying Huang","A photochromic dual-functional Mg-CP exhibits white-emission after modification with CuI","Journal of Materials Chemistry C","2016","4","","2438","2441","10.1039/C6TC00244G","","","0.71073","MoKα","","0.0768","0.0586","","","0.1587","0.1727","","","","","","1.017","","","","has coordinates","219354","2020-10-21","18:00:00",""
"7234619","6.2039","0.0004","12.3689","0.001","42.218","0.004","90","","90","","90","","3239.6","0.5","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","Amino-BODIPY","Ammonia-BODIPY","","- C15 H6 B Br F7 N3 -","- C15 H6 B Br F7 N3 -","- C120 H48 B8 Br8 F56 N24 -","8","1","","Masood Ayoub Kaloo; Adiki Raja Sekhar; R. V. Ramana Reddy; Ramya Sunder Raman; Jeyaraman Sankar","A facile and visual approach for the detection of trace level ammonia vapours under ambient conditions","Journal of Materials Chemistry C","2016","4","","2452","2456","10.1039/C6TC00426A","","","0.71073","MoKα","","0.0994","0.0507","","","0.1089","0.1276","","","","","","1.02","","","","has coordinates","219355","2020-10-21","18:00:00",""
"7234620","9.765","0.0012","18.091","0.002","11.2978","0.0015","90","","91.058","0.002","90","","1995.5","0.4","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C23 H13 Br F4 O3 -","- C23 H13 Br F4 O3 -","- C92 H52 Br4 F16 O12 -","4","1","","Shuzhen Li; Yanjun Lin; Dongpeng Yan","Two-component molecular cocrystals of 9-acetylanthracene with highly tunable one-/two-photon fluorescence and aggregation induced emission","Journal of Materials Chemistry C","2016","4","","2527","2534","10.1039/C6TC00067C","","","0.71073","MoKα","","0.083","0.0495","","","0.127","0.1482","","","","","","1.02","","","","has coordinates","219356","2020-10-21","18:00:00",""
"7234621","14.4098","0.0014","8.1627","0.0006","17.1171","0.0011","90","","95.71","0.007","90","","2003.4","0.3","100.6","","100.6","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C26 H14 N4 O -","- C26 H14 N4 O -","- C104 H56 N16 O4 -","4","1","","Shuzhen Li; Yanjun Lin; Dongpeng Yan","Two-component molecular cocrystals of 9-acetylanthracene with highly tunable one-/two-photon fluorescence and aggregation induced emission","Journal of Materials Chemistry C","2016","4","","2527","2534","10.1039/C6TC00067C","","","0.7107","MoKα","","0.0978","0.0536","","","0.0866","0.1061","","","","","","1.012","","","","has coordinates","219356","2020-10-21","18:00:00",""
"7234622","7.912","0.005","14.265","0.009","16.133","0.01","90","","94.637","0.012","90","","1815","2","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C22 H14 F4 O3 -","- C22 H14 F4 O3 -","- C88 H56 F16 O12 -","4","1","","Shuzhen Li; Yanjun Lin; Dongpeng Yan","Two-component molecular cocrystals of 9-acetylanthracene with highly tunable one-/two-photon fluorescence and aggregation induced emission","Journal of Materials Chemistry C","2016","4","","2527","2534","10.1039/C6TC00067C","","","0.71073","MoKα","","0.0904","0.0454","","","0.1064","0.1277","","","","","","1.011","","","","has coordinates","219356","2020-10-21","18:00:00",""
"7234623","11.5602","0.0007","13.855","0.0005","13.7535","0.0007","90","","113.907","0.006","90","","2013.9","0.2","103.4","","103.4","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C26 H12 F8 O -","- C26 H12 F8 O -","- C104 H48 F32 O4 -","4","1","","Shuzhen Li; Yanjun Lin; Dongpeng Yan","Two-component molecular cocrystals of 9-acetylanthracene with highly tunable one-/two-photon fluorescence and aggregation induced emission","Journal of Materials Chemistry C","2016","4","","2527","2534","10.1039/C6TC00067C","","","0.7107","MoKα","","0.0722","0.0473","","","0.1047","0.119","","","","","","1.049","","","","has coordinates","219356","2020-10-21","18:00:00",""
"7234624","9.304","0.0019","16.24","0.003","19.48","0.004","72.15","0.03","85.46","0.03","89.18","0.03","2792.7","1.1","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C60 H66 F6 Ir N6 P -","- C60 H66 F6 Ir N6 P -","- C120 H132 F12 Ir2 N12 P2 -","2","1","","Zhongming Song; Rui Liu; Yuhao Li; Hong Shi; Jinyang Hu; Xiao Cai; Hongjun Zhu","AIE-active Ir(iii) complexes with tunable emissions, mechanoluminescence and their application for data security protection","Journal of Materials Chemistry C","2016","4","","2553","2559","10.1039/C6TC00237D","","","0.71073","MoKα","","0.0985","0.0671","","","0.1529","0.1689","","","","","","1.003","","","","has coordinates","219357","2020-10-21","18:00:00",""
"7234625","10.2152","0.0002","10.8813","0.0002","15.7154","0.0002","96.105","0.001","104.356","0.001","104.287","0.002","1613.63","0.05","223","2","223","2","","","","","","","","6","P -1","-P 1","2","","","","- C35 H29 F2 N4 P Pt -","- C35 H29 F2 N4 P Pt -","- C70 H58 F4 N8 P2 Pt2 -","2","1","","Jan Sanning; Linda Stegemann; Pascal R. Ewen; Christian Schwermann; Constantin G. Daniliuc; Dongdong Zhang; Na Lin; Lian Duan; Daniel Wegner; Nikos L. Doltsinis; Cristian A. Strassert","Colour-tunable asymmetric cyclometalated Pt(ii) complexes and STM-assisted stability assessment of ancillary ligands for OLEDs","Journal of Materials Chemistry C","2016","4","","2560","2565","10.1039/C6TC00093B","","","0.71073","MoKα","","0.0479","0.042","","","0.0946","0.0979","","","","","","1.04","","","","has coordinates","219358","2020-10-21","18:00:00",""
"7234626","21.2263","0.0002","18.317","0.0003","16.6102","0.0002","90","","111.06","0.001","90","","6026.71","0.14","223","2","223","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C31 H37 F2 N5 O Pt -","- C31 H37 F2 N5 O Pt -","- C248 H296 F16 N40 O8 Pt8 -","8","1","","Jan Sanning; Linda Stegemann; Pascal R. Ewen; Christian Schwermann; Constantin G. Daniliuc; Dongdong Zhang; Na Lin; Lian Duan; Daniel Wegner; Nikos L. Doltsinis; Cristian A. Strassert","Colour-tunable asymmetric cyclometalated Pt(ii) complexes and STM-assisted stability assessment of ancillary ligands for OLEDs","Journal of Materials Chemistry C","2016","4","","2560","2565","10.1039/C6TC00093B","","","0.71073","MoKα","","0.0443","0.0345","","","0.0795","0.0871","","","","","","1.038","","","","has coordinates,has disorder","219358","2020-10-21","18:00:00",""
"7234627","24.0158","0.001","3.6946","0.0001","24.1833","0.0008","90","","117.592","0.001","90","","1901.71","0.11","101","2","101","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C12 H6 F2 N2 -","- C12 H6 F2 N2 -","- C96 H48 F16 N16 -","8","2","","Jan Sanning; Linda Stegemann; Pascal R. Ewen; Christian Schwermann; Constantin G. Daniliuc; Dongdong Zhang; Na Lin; Lian Duan; Daniel Wegner; Nikos L. Doltsinis; Cristian A. Strassert","Colour-tunable asymmetric cyclometalated Pt(ii) complexes and STM-assisted stability assessment of ancillary ligands for OLEDs","Journal of Materials Chemistry C","2016","4","","2560","2565","10.1039/C6TC00093B","","","0.71073","MoKα","","0.0507","0.036","","","0.0816","0.088","","","","","","1.049","","","","has coordinates","219358","2020-10-21","18:00:00",""
"7234628","13.0779","0.0006","6.7374","0.0003","14.8646","0.0007","90","","90","","90","","1309.74","0.1","296","2","296","2","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- C16 H12 N4 -","- C16 H12 N4 -","- C64 H48 N16 -","4","0.5","","Yang Zhang; Jaume Garcia-Amoros; Burjor Captain; Francisco M. Raymo","A fluorescent and halochromic indolizine switch","Journal of Materials Chemistry C","2016","4","","2744","2747","10.1039/C5TC03331D","","","0.71073","MoKα","","0.042","0.0377","","","0.1014","0.1074","","","","","","1.052","","","","has coordinates","219359","2020-10-21","18:00:00",""
"7234629","8.601","0.0004","21.0213","0.001","11.9369","0.0006","90","","104.717","0.001","90","","2087.43","0.17","100","","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H14 F6 N4 O4 -","- C20 H14 F6 N4 O4 -","- C80 H56 F24 N16 O16 -","4","1","","Yang Zhang; Jaume Garcia-Amoros; Burjor Captain; Francisco M. Raymo","A fluorescent and halochromic indolizine switch","Journal of Materials Chemistry C","2016","4","","2744","2747","10.1039/C5TC03331D","","","0.71073","MoKα","","0.0493","0.0381","","","0.0951","0.1029","","","","","","1.02","","","","has coordinates","219359","2020-10-21","18:00:00",""
"7234630","9.6963","0.0013","32.629","0.004","11.449","0.0016","90","","113.025","0.002","90","","3333.7","0.8","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","DAC-TP","6,12-bis-(10-[1,1';3',1'']terphenyl-5'-yl-anthracen-9-yl)-chrysene","","- C94 H60 Cl4 -","- C94 H60 Cl4 -","- C188 H120 Cl8 -","2","0.5","","Jaehyun Lee; Hyocheol Jung; Hwangyu Shin; Joonghan Kim; Daisuke Yokoyama; Hidetaka Nishimura; Atsushi Wakamiya; Jongwook Park","Excimer emission based on the control of molecular structure and intermolecular interactions","Journal of Materials Chemistry C","2016","4","","2784","2792","10.1039/C5TC03289J","","","0.71073","MoKa","","0.0838","0.0467","","","0.1049","0.1334","","","","","","1.047","","","","has coordinates","219360","2020-10-21","18:00:00",""
"7234631","7.558","0.002","13.561","0.003","14.948","0.004","88.586","0.011","88.421","0.012","89.548","0.011","1531","0.7","193","2","193","2","","","","","","","","4","P -1","-P 1","2","","","","- C19 H15 N3 O2 -","- C19 H15 N3 O2 -","- C76 H60 N12 O8 -","4","2","","Abdelhamid Ghodbane; W. Brett Fellows; John R. Bright; Debashree Ghosh; Nathalie Saffon; Laren M. Tolbert; Suzanne Fery-Forgues; Kyril M. Solntsev","Effects of the benzoxazole group on green fluorescent protein chromophore crystal structure and solid state photophysics","Journal of Materials Chemistry C","2016","4","","2793","2801","10.1039/C5TC03776J","","","0.71073","MoKα","","0.2605","0.1283","","","0.2928","0.362","","","","","","1.024","","","","has coordinates","219361","2020-10-21","18:00:00",""
"7234632","4.6778","0.0005","34.671","0.004","11.6713","0.0016","90","","101.338","0.006","90","","1856","0.4","193","2","193","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H21 N3 O2 -","- C22 H21 N3 O2 -","- C88 H84 N12 O8 -","4","1","","Abdelhamid Ghodbane; W. Brett Fellows; John R. Bright; Debashree Ghosh; Nathalie Saffon; Laren M. Tolbert; Suzanne Fery-Forgues; Kyril M. Solntsev","Effects of the benzoxazole group on green fluorescent protein chromophore crystal structure and solid state photophysics","Journal of Materials Chemistry C","2016","4","","2793","2801","10.1039/C5TC03776J","","","0.71073","MoKα","","0.1597","0.0562","","","0.1195","0.1517","","","","","","0.942","","","","has coordinates,has disorder","219361","2020-10-21","18:00:00",""
"7234633","7.4065","0.0003","22.5576","0.0007","12.0964","0.0004","90","","95.776","0.002","90","","2010.72","0.12","193","2","193","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C23 H23 N3 O2 -","- C23 H23 N3 O2 -","- C92 H92 N12 O8 -","4","1","","Abdelhamid Ghodbane; W. Brett Fellows; John R. Bright; Debashree Ghosh; Nathalie Saffon; Laren M. Tolbert; Suzanne Fery-Forgues; Kyril M. Solntsev","Effects of the benzoxazole group on green fluorescent protein chromophore crystal structure and solid state photophysics","Journal of Materials Chemistry C","2016","4","","2793","2801","10.1039/C5TC03776J","","","0.71073","MoKα","","0.1046","0.0545","","","0.1315","0.157","","","","","","1.015","","","","has coordinates,has disorder","219361","2020-10-21","18:00:00",""
"7234634","25.4404","0.0009","7.3304","0.0003","13.9803","0.0004","90","","98.003","0.001","90","","2581.77","0.16","193","2","193","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C30 H37 N3 O2 -","- C30 H37 N3 O2 -","- C120 H148 N12 O8 -","4","1","","Abdelhamid Ghodbane; W. Brett Fellows; John R. Bright; Debashree Ghosh; Nathalie Saffon; Laren M. Tolbert; Suzanne Fery-Forgues; Kyril M. Solntsev","Effects of the benzoxazole group on green fluorescent protein chromophore crystal structure and solid state photophysics","Journal of Materials Chemistry C","2016","4","","2793","2801","10.1039/C5TC03776J","","","0.71073","MoKα","","0.0681","0.0396","","","0.0854","0.0961","","","","","","1.034","","","","has coordinates,has disorder","219361","2020-10-21","18:00:00",""
"7234635","6.5345","0.0013","13.047","0.003","24.3","0.005","90","","95.76","0.03","90","","2061.3","0.8","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C25 H19 B F2 N2 O -","- C25 H19 B F2 N2 O -","- C100 H76 B4 F8 N8 O4 -","4","1","","Zhenqi Zhang; Zhu Wu; Jingbo Sun; Boqi Yao; Pengchong Xue; Ran Lu","beta-Iminoenolate boron complex with terminal triphenylamine exhibiting polymorphism and mechanofluorochromism","Journal of Materials Chemistry C","2016","4","","2854","2861","10.1039/C5TC02386F","","","0.71073","MoKα","","0.0691","0.0487","","","0.1088","0.1204","","","","","","1.07","","","","has coordinates","219362","2020-10-21","18:00:00",""
"7234636","10.093","0.0007","10.8435","0.0006","16.7973","0.001","84.075","0.005","86.526","0.005","67.905","0.006","1693.8","0.2","293","2","293.15","","","","","","","","","3","P -1","-P 1","2","","","","- C46 H33 N3 -","- C46 H33 N3 -","- C92 H66 N6 -","2","1","","Ming Chen; Han Nie; Bo Song; Lingzhi Li; Jing Zhi Sun; Anjun Qin; Ben Zhong Tang","Triphenylamine-functionalized tetraphenylpyrazine: facile preparation and multifaceted functionalities","Journal of Materials Chemistry C","2016","4","","2901","2908","10.1039/C5TC03299G","","","0.71073","MoKα","","0.0954","0.0535","","","0.1193","0.1496","","","","","","1.028","","","","has coordinates","219363","2020-10-21","18:00:00",""
"7234637","23.5825","0.0014","23.5825","0.0014","6.2166","0.0005","90","","90","","90","","3457.3","0.4","296","2","296","2","","","","","","","","3","I 41/a :2","-I 4ad","88","","","","- C10 H9 N3 -","- C10 H9 N3 -","- C160 H144 N48 -","16","1","","Ajith R. Mallia; Ramarani Sethy; Vinayak Bhat; Mahesh Hariharan","Crystallization induced enhanced emission in conformational polymorphs of a rotationally flexible molecule","Journal of Materials Chemistry C","2016","4","","2931","2935","10.1039/C5TC03188E","","","0.71073","MoKα","","0.0511","0.0418","","","0.1206","0.1375","","","","","","1.144","","","","has coordinates","219364","2020-10-21","18:00:00",""
"7234638","15.2009","0.0019","9.7035","0.0011","12.0827","0.0015","90","","90","","90","","1782.2","0.4","296","2","296","2","","","","","","","","3","P c c n","-P 2ab 2ac","56","","","","- C10 H9 N3 -","- C10 H9 N3 -","- C80 H72 N24 -","8","1","","Ajith R. Mallia; Ramarani Sethy; Vinayak Bhat; Mahesh Hariharan","Crystallization induced enhanced emission in conformational polymorphs of a rotationally flexible molecule","Journal of Materials Chemistry C","2016","4","","2931","2935","10.1039/C5TC03188E","","","0.71073","MoKα","","0.0743","0.0511","","","0.1385","0.163","","","","","","1.086","","","","has coordinates","219364","2020-10-21","18:00:00",""
"7234639","18.26","0.002","18.26","0.002","5.0477","0.0008","90","","90","","120","","1457.6","0.3","296","2","296","2","","","","","","","","3","P 65","P 65","170","","","","- C10 H9 N3 -","- C10 H9 N3 -","- C60 H54 N18 -","6","1","","Ajith R. Mallia; Ramarani Sethy; Vinayak Bhat; Mahesh Hariharan","Crystallization induced enhanced emission in conformational polymorphs of a rotationally flexible molecule","Journal of Materials Chemistry C","2016","4","","2931","2935","10.1039/C5TC03188E","","","0.71073","MoKα","","0.0923","0.053","","","0.1471","0.1777","","","","","","1.132","","","","has coordinates","219364","2020-10-21","18:00:00",""
"7234640","9.5341","0.0003","14.4282","0.0004","18.4781","0.0004","85.0625","0.0017","77.5714","0.0016","80.3446","0.0013","2443.82","0.12","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C53 H70 Br O2 P S2 -","- C53 H70 Br O2 P S2 -","- C106 H140 Br2 O4 P2 S4 -","2","1","","Zisu Wang; Benjamin S. Gelfand; Pengcheng Dong; Simon Trudel; Thomas Baumgartner","Tuning the aggregation-induced enhanced emission behavior and self-assembly of phosphole-lipids","Journal of Materials Chemistry C","2016","4","","2936","2944","10.1039/C5TC03311J","","","0.71073","MoKα","","0.1021","0.0682","","","0.1164","0.1309","","","","","","1.117","","","","has coordinates,has disorder","219365","2020-10-21","18:00:00",""
"7234641","14.689","0.005","18.897","0.005","15.282","0.005","90","0.005","98.117","0.005","90","0.005","4199","2","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C52 H43 N5 -","- C52 H43 N5 -","- C208 H172 N20 -","4","1","","Yuyang Zhang; Huifang Li; Gaobin Zhang; Xianyun Xu; Lin Kong; Xutang Tao; Yupeng Tian; Jiaxiang Yang","Aggregation-induced emission enhancement and mechanofluorochromic properties of alpha-cyanostilbene functionalized tetraphenyl imidazole derivatives","Journal of Materials Chemistry C","2016","4","","2971","2978","10.1039/C5TC03348A","","","0.71069","MoKα","","0.1589","0.0614","","","0.1481","0.2073","","","","","","0.94","","","","has coordinates","219366","2020-10-21","18:00:00",""
"7234642","9.8096","0.0014","14.224","0.002","14.627","0.002","88.198","0.002","83.699","0.002","71.647","0.002","1925.4","0.5","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C48 H34 N4 O -","- C48 H34 N4 O -","- C96 H68 N8 O2 -","2","1","","Yuyang Zhang; Huifang Li; Gaobin Zhang; Xianyun Xu; Lin Kong; Xutang Tao; Yupeng Tian; Jiaxiang Yang","Aggregation-induced emission enhancement and mechanofluorochromic properties of alpha-cyanostilbene functionalized tetraphenyl imidazole derivatives","Journal of Materials Chemistry C","2016","4","","2971","2978","10.1039/C5TC03348A","","","0.71073","MoKα","","0.1605","0.0784","","","0.2192","0.2577","","","","","","1.193","","","","has coordinates","219366","2020-10-21","18:00:00",""
"7234643","11.9266","0.0011","9.3889","0.0008","15.6279","0.0014","90","","97.498","0.001","90","","1735","0.3","296","2","296","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","2-(bis(4-dimethylaminophenyl)methylene)malonitrile","1,1-Dicyano-2,2-bis(4-dimethylaminophenyl)ethylene","","- C20 H20 N4 -","- C20 H20 N4 -","- C80 H80 N16 -","4","0.5","","Chiara Botta; Sara Benedini; Lucia Carlucci; Alessandra Forni; Daniele Marinotto; Andrea Nitti; Dario Pasini; Stefania Righetto; Elena Cariati","Polymorphism-dependent aggregation induced emission of a push-pull dye and its multi-stimuli responsive behavior","Journal of Materials Chemistry C","2016","4","","2979","2989","10.1039/C5TC03352G","","","0.71073","MoKα","","0.062","0.0428","","","0.1112","0.1242","","","","","","1.017","","","","has coordinates","219367","2020-10-21","18:00:00",""
"7234644","8.492","0.0007","13.9497","0.0011","15.075","0.0014","90","","100.062","0.001","90","","1758.3","0.3","296","2","296","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","2-(bis(4-dimethylaminophenyl)methylene)malonitrile","1,1-Dicyano-2,2-bis(4-dimethylaminophenyl)ethylene","","- C20 H20 N4 -","- C20 H20 N4 -","- C80 H80 N16 -","4","0.5","","Chiara Botta; Sara Benedini; Lucia Carlucci; Alessandra Forni; Daniele Marinotto; Andrea Nitti; Dario Pasini; Stefania Righetto; Elena Cariati","Polymorphism-dependent aggregation induced emission of a push-pull dye and its multi-stimuli responsive behavior","Journal of Materials Chemistry C","2016","4","","2979","2989","10.1039/C5TC03352G","","","0.71073","MoKα","","0.0686","0.0462","","","0.1265","0.1429","","","","","","1.043","","","","has coordinates","219367","2020-10-21","18:00:00",""
"7234645","9.7959","0.0012","9.9417","0.0012","17.678","0.002","90","","94.478","0.001","90","","1716.4","0.4","150","2","150","2","","","","","","","","3","P 1 21 1","P 2yb","4","2-(bis(4-dimethylaminophenyl)methylene)malonitrile","1,1-Dicyano-2,2-bis(4-dimethylaminophenyl)ethylene","","- C20 H20 N4 -","- C20 H20 N4 -","- C80 H80 N16 -","4","2","","Chiara Botta; Sara Benedini; Lucia Carlucci; Alessandra Forni; Daniele Marinotto; Andrea Nitti; Dario Pasini; Stefania Righetto; Elena Cariati","Polymorphism-dependent aggregation induced emission of a push-pull dye and its multi-stimuli responsive behavior","Journal of Materials Chemistry C","2016","4","","2979","2989","10.1039/C5TC03352G","","","0.71073","MoKα","","0.0788","0.0489","","","0.0982","0.1096","","","","","","1.01","","","","has coordinates","219367","2020-10-21","18:00:00",""
"7234646","12.5444","0.0008","22.3085","0.0014","7.5898","0.0005","90","","105.35","0.001","90","","2048.2","0.2","180","2","180","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","2-(bis(4-dimethylaminophenyl)methylene)malonitrile","1,1-Dicyano-2,2-bis(4-dimethylaminophenyl)ethylene dichloromethane solvate","","- C21 H22 Cl2 N4 -","- C21 H22 Cl2 N4 -","- C84 H88 Cl8 N16 -","4","1","","Chiara Botta; Sara Benedini; Lucia Carlucci; Alessandra Forni; Daniele Marinotto; Andrea Nitti; Dario Pasini; Stefania Righetto; Elena Cariati","Polymorphism-dependent aggregation induced emission of a push-pull dye and its multi-stimuli responsive behavior","Journal of Materials Chemistry C","2016","4","","2979","2989","10.1039/C5TC03352G","","","0.71073","MoKα","","0.0704","0.0541","","","0.1253","0.136","","","","","","1.04","","","","has coordinates","219367","2020-10-21","18:00:00",""
"7234650","15.751","0.008","14.741","0.007","8.621","0.004","90","","90","","90","","2001.7","1.7","296","2","296","2","","","","","","","","4","P c c a","-P 2a 2ac","54","","","","- C24 H19 N O4 -","- C24 H19 N O4 -","- C96 H76 N4 O16 -","4","0.5","","Lin Kong; Yun Liu; Hui Wang; Xiao-he Tian; Qi-yu Chen; Yu-peng Tian; Sheng-li Li; Zhao-ming Xue; Jia-xiang Yang","Effect of solvent, pH and metal ions on the self-assembly process and optical properties of an A-pi-D-pi-A type triphenylamine carboxylic acid derivative","Journal of Materials Chemistry C","2016","4","","2990","3001","10.1039/C5TC03351A","","","0.71073","MoKα","","0.0585","0.0398","","","0.0981","0.1267","","","","","","1.09","","","","has coordinates","219382","2020-10-21","18:00:00",""
"7234651","16.4099","0.0017","6.9907","0.0007","16.3466","0.0017","90","","114.88","0.001","90","","1701.2","0.3","296.15","","296.15","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","1,3,6,8-Tetramethylthiopyrene","Pyrene, 1,3,6,8-tetrakis(methylthio)-","","- C44 H34 S4 -","- C44 H34 S4 -","- C88 H68 S8 -","2","0.5","","Tarek H. El-Assaad; Manuel Auer; Raul Castaneda; Kassem M. Hallal; Fadi M. Jradi; Lorenzo Mosca; Rony S. Khnayzer; Digambara Patra; Tatiana V. Timofeeva; Jean-Luc Bredas; Emil J. W. List-Kratochvil; Brigitte Wex; Bilal R. Kaafarani","Tetraaryl pyrenes: photophysical properties, computational studies, crystal structures, and application in OLEDs","Journal of Materials Chemistry C","2016","4","","3041","3058","10.1039/C5TC02849C","","","0.71073","MoKα","","0.1097","0.0576","","","0.136","0.163","","","","","","1.019","","","","has coordinates","219383","2020-10-21","18:00:00",""
"7234652","3.914","0.003","11.932","0.01","27.87","0.02","90","","90.739","0.012","90","","1301.5","1.7","100","","100","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","Pyrene, 1,3,6,8-tetrakis(4-fluorophenyl)-","","- C40 H22 F4 -","- C40 H22 F4 -","- C80 H44 F8 -","2","0.5","","Tarek H. El-Assaad; Manuel Auer; Raul Castaneda; Kassem M. Hallal; Fadi M. Jradi; Lorenzo Mosca; Rony S. Khnayzer; Digambara Patra; Tatiana V. Timofeeva; Jean-Luc Bredas; Emil J. W. List-Kratochvil; Brigitte Wex; Bilal R. Kaafarani","Tetraaryl pyrenes: photophysical properties, computational studies, crystal structures, and application in OLEDs","Journal of Materials Chemistry C","2016","4","","3041","3058","10.1039/C5TC02849C","","","0.71073","MoKα","","0.1332","0.1071","","","0.2833","0.3119","","","","","","1.0639","","","","has coordinates","219383","2020-10-21","18:00:00",""
"7234653","4.795","0.005","14.347","0.014","28.88","0.03","90","","92.154","0.014","90","","1985","4","100","","100","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","Pyrene, 1,3,6,8-tetrakis[3,5-bis(trifluoromethyl)phenyl]-","","- C48 H18 F24 -","- C48 H18 F24 -","- C96 H36 F48 -","2","0.5","","Tarek H. El-Assaad; Manuel Auer; Raul Castaneda; Kassem M. Hallal; Fadi M. Jradi; Lorenzo Mosca; Rony S. Khnayzer; Digambara Patra; Tatiana V. Timofeeva; Jean-Luc Bredas; Emil J. W. List-Kratochvil; Brigitte Wex; Bilal R. Kaafarani","Tetraaryl pyrenes: photophysical properties, computational studies, crystal structures, and application in OLEDs","Journal of Materials Chemistry C","2016","4","","3041","3058","10.1039/C5TC02849C","","","0.71073","MoKα","","0.1607","0.0764","","","0.1668","0.2068","","","","","","1.005","","","","has coordinates,has disorder","219383","2020-10-21","18:00:00",""
"7234654","15.87","0.03","7.203","0.012","19.66","0.03","90","","106.884","0.017","90","","2150","6","100","","100","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","Pyrene, 1,3,6,8-tetrakis(4-phenoxyphenyl)-","","- C64 H42 O4 -","- C64 H42 O4 -","- C128 H84 O8 -","2","0.5","","Tarek H. El-Assaad; Manuel Auer; Raul Castaneda; Kassem M. Hallal; Fadi M. Jradi; Lorenzo Mosca; Rony S. Khnayzer; Digambara Patra; Tatiana V. Timofeeva; Jean-Luc Bredas; Emil J. W. List-Kratochvil; Brigitte Wex; Bilal R. Kaafarani","Tetraaryl pyrenes: photophysical properties, computational studies, crystal structures, and application in OLEDs","Journal of Materials Chemistry C","2016","4","","3041","3058","10.1039/C5TC02849C","","","0.71073","MoKα","","0.0979","0.0557","","","0.1159","0.1365","","","","","","1.0903","","","","has coordinates,has disorder","219383","2020-10-21","18:00:00",""
"7234655","13.688","0.003","8.4634","0.0016","10.987","0.002","90","","111.999","0.003","90","","1180.1","0.4","100.15","","100.15","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","Thiophene, 2,2',2'',2'''-(1,3,6,8-pyrenetetrayl)tetrakis-","","- C32 H18 S4 -","- C32 H18 S4 -","- C64 H36 S8 -","2","0.5","","Tarek H. El-Assaad; Manuel Auer; Raul Castaneda; Kassem M. Hallal; Fadi M. Jradi; Lorenzo Mosca; Rony S. Khnayzer; Digambara Patra; Tatiana V. Timofeeva; Jean-Luc Bredas; Emil J. W. List-Kratochvil; Brigitte Wex; Bilal R. Kaafarani","Tetraaryl pyrenes: photophysical properties, computational studies, crystal structures, and application in OLEDs","Journal of Materials Chemistry C","2016","4","","3041","3058","10.1039/C5TC02849C","","","0.71073","MoKα","","0.0396","0.0335","","","0.0891","0.0931","","","","","","1.06","","","","has coordinates,has disorder","219383","2020-10-21","18:00:00",""
"7234656","12.3292","0.0018","14.816","0.002","23.194","0.003","90","","90","","90","","4236.8","1","100.15","","100.15","","","","","","","","","2","P c a b","-P 2bc 2ac","61","","Pyrene, 1,3,6,8-tetrakis[4-(1,1-dimethylethyl)phenyl]-","","- C56 H58 -","- C56 H58 -","- C224 H232 -","4","0.5","","Tarek H. El-Assaad; Manuel Auer; Raul Castaneda; Kassem M. Hallal; Fadi M. Jradi; Lorenzo Mosca; Rony S. Khnayzer; Digambara Patra; Tatiana V. Timofeeva; Jean-Luc Bredas; Emil J. W. List-Kratochvil; Brigitte Wex; Bilal R. Kaafarani","Tetraaryl pyrenes: photophysical properties, computational studies, crystal structures, and application in OLEDs","Journal of Materials Chemistry C","2016","4","","3041","3058","10.1039/C5TC02849C","","","0.71073","MoKα","","0.061","0.0485","","","0.1296","0.1366","","","","","","1.05","","","","has coordinates","219383","2020-10-21","18:00:00",""
"7234657","7.905","0.007","13.915","0.013","22.51","0.02","105.216","0.017","95.622","0.015","91.927","0.016","2373","4","100","2","100","2","","","","","","","","6","P -1","-P 1","2","yld_124","yld_124","","- C50 H63 F3 N4 O3 S2 -","- C50 H63 F3 N4 O3 S2 -","- C100 H126 F6 N8 O6 S4 -","2","1","","Wenwei Jin; Peter V. Johnston; Delwin L. Elder; Karl T. Manner; Kerry E. Garrett; Werner Kaminsky; Ruimin Xu; Bruce H. Robinson; Larry R. Dalton","Structure-function relationship exploration for enhanced thermal stability and electro-optic activity in monolithic organic NLO chromophores","Journal of Materials Chemistry C","2016","4","","3119","3124","10.1039/C6TC00358C","","","0.71073","MoKα","","0.2711","0.1484","","","0.3505","0.4243","","","","","","1.115","","","","has coordinates","219384","2020-10-21","18:00:00",""
"7234658","7.5283","0.0006","35.261","0.003","18.8417","0.0014","90","","90","","90","","5001.6","0.7","100","2","100","2","","","","","","","","4","P n m a","-P 2ac 2n","62","2-(9H-carbazol-9-yl)-3,5,5-trimethylcyclohex-2-en-1-one","2-(carbazol-9-yl)-3,5,5-trimethylcycloh ex-2-en-1-one","","- C21 H21 N O -","- C21 H21 N O -","- C252 H252 N12 O12 -","12","1.5","","Wenwei Jin; Peter V. Johnston; Delwin L. Elder; Karl T. Manner; Kerry E. Garrett; Werner Kaminsky; Ruimin Xu; Bruce H. Robinson; Larry R. Dalton","Structure-function relationship exploration for enhanced thermal stability and electro-optic activity in monolithic organic NLO chromophores","Journal of Materials Chemistry C","2016","4","","3119","3124","10.1039/C6TC00358C","","","0.71073","MoKα","","0.0803","0.0715","","","0.1371","0.1414","","","","","","1.23","","","","has coordinates","219384","2020-10-21","18:00:00",""
"7234659","10.8186","0.0002","10.0198","0.0002","23.1493","0.0005","90","","103.09","0.001","90","","2444.18","0.09","293","","293","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","3-[(5-Bromo-1,3-dihydro-3,3-dimethyl-2H-indol-2-ylidene)methyl]-5- [(5-bromo-3,3-dimethyl-3H-indol-2-yl)methylene]-4-hydroxy-3-5 cyclopentene-1,2-dione","","- C27 H22 Br2 N2 O3 -","- C27 H22 Br2 N2 O3 -","- C108 H88 Br8 N8 O12 -","4","1","","A. Punzi; M. A. M. Capozzi; V. Fino; C. Carlucci; M. Suriano; E. Mesto; E. Schingaro; E. Orgiu; S. Bonacchi; T. Leydecker; P. Samori; R. Musio; G. M. Farinola","Croconaines as molecular materials for organic electronics: synthesis, solid state structure and use in transistor devices","Journal of Materials Chemistry C","2016","4","","3138","3142","10.1039/C6TC00264A","","","0.71073","MoKα","","0.0647","0.0417","","0.0914","0.0854","0.0914","","","","","","0.9696","","","","has coordinates","219385","2020-10-21","18:00:00",""
"7234660","11.0823","0.0003","14.6505","0.0005","18.1033","0.0006","66.188","0.002","81.891","0.002","72.294","0.002","2561.12","0.15","293","","293","","","","","","","","","4","P -1","-P 1","2","","","","- C27 H24 N2 O3 -","- C27 H24 N2 O3 -","- C108 H96 N8 O12 -","4","2","","A. Punzi; M. A. M. Capozzi; V. Fino; C. Carlucci; M. Suriano; E. Mesto; E. Schingaro; E. Orgiu; S. Bonacchi; T. Leydecker; P. Samori; R. Musio; G. M. Farinola","Croconaines as molecular materials for organic electronics: synthesis, solid state structure and use in transistor devices","Journal of Materials Chemistry C","2016","4","","3138","3142","10.1039/C6TC00264A","","","0.71073","MoKα","","0.1105","0.0593","","0.1601","0.1514","0.1601","","","","","","0.9025","","","","has coordinates","219385","2020-10-21","18:00:00",""
"7234661","8.5477","0.0002","15.282","0.0003","13.6085","0.0003","90","","90.06","0.002","90","","1777.62","0.07","90","0.4","90","0.4","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C10 H20 Mn2 N2 O12 -","- C10 H20 Mn2 N2 O12 -","- C40 H80 Mn8 N8 O48 -","4","1","","Miroslaw Maczka; Anna Gagor; Nathalia Leal Marinho Costa; Waldeci Paraguassu; Adam Sieradzki; Adam Pikul","Temperature- and pressure-induced phase transitions in the niccolite-type formate framework of [H3N(CH3)4NH3][Mn2(HCOO)6]","Journal of Materials Chemistry C","2016","4","","3185","3194","10.1039/C6TC00611F","","x-ray","0.71073","MoKα","","0.0281","0.0255","","","0.0539","0.0554","","","","","","1.032","","","","has coordinates","219386","2020-10-21","18:00:00",""
"7234662","8.5542","0.0002","15.299","0.0003","13.6149","0.0003","90","","90.1","0.002","90","","1781.79","0.07","159.99","0.17","159.99","0.17","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C10 H20 Mn2 N2 O12 -","- C10 H20 Mn2 N2 O12 -","- C40 H80 Mn8 N8 O48 -","4","1","","Miroslaw Maczka; Anna Gagor; Nathalia Leal Marinho Costa; Waldeci Paraguassu; Adam Sieradzki; Adam Pikul","Temperature- and pressure-induced phase transitions in the niccolite-type formate framework of [H3N(CH3)4NH3][Mn2(HCOO)6]","Journal of Materials Chemistry C","2016","4","","3185","3194","10.1039/C6TC00611F","","x-ray","0.71073","MoKα","","0.0295","0.0256","","","0.0571","0.0603","","","","","","1.038","","","","has coordinates","219386","2020-10-21","18:00:00",""
"7234663","8.5685","0.0002","15.3292","0.0004","13.6602","0.0003","90","","90.226","0.002","90","","1794.23","0.07","345","2","345","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C10 H20 Mn2 N2 O12 -","- C10 H18.804 Mn2 N2 O12 -","- C40 H75.216 Mn8 N8 O48 -","4","1","","Miroslaw Maczka; Anna Gagor; Nathalia Leal Marinho Costa; Waldeci Paraguassu; Adam Sieradzki; Adam Pikul","Temperature- and pressure-induced phase transitions in the niccolite-type formate framework of [H3N(CH3)4NH3][Mn2(HCOO)6]","Journal of Materials Chemistry C","2016","4","","3185","3194","10.1039/C6TC00611F","","x-ray","0.71073","MoKα","","0.0426","0.0307","","","0.0624","0.0669","","","","","","0.977","","","","has coordinates","219386","2020-10-21","18:00:00",""
"7234664","8.6962","0.0002","8.6962","0.0002","13.6572","0.0006","90","","90","","120","","894.44","0.05","360","2","360","2","","","","","","","","5","P -3 1 c","-P 3 2c","163","","","","- C10 H20 Mn2 N2 O12 -","- C9.9998 H19.9986 Mn2 N1.9998 O12 -","- C19.9996 H39.9972 Mn4 N3.9996 O24 -","2","0.166667","","Miroslaw Maczka; Anna Gagor; Nathalia Leal Marinho Costa; Waldeci Paraguassu; Adam Sieradzki; Adam Pikul","Temperature- and pressure-induced phase transitions in the niccolite-type formate framework of [H3N(CH3)4NH3][Mn2(HCOO)6]","Journal of Materials Chemistry C","2016","4","","3185","3194","10.1039/C6TC00611F","","x-ray","0.71073","MoKα","","0.0523","0.0478","","","0.1392","0.1429","","","","","","1.201","","","","has coordinates,has disorder","219386","2020-10-21","18:00:00",""
"7234665","8.5608","0.0002","15.3339","0.0003","13.6433","0.0003","90","","90.19","0.002","90","","1790.95","0.07","298","2","298","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C10 H20 Mn2 N2 O12 -","- C10 H20 Mn2 N2 O12 -","- C40 H80 Mn8 N8 O48 -","4","1","","Miroslaw Maczka; Anna Gagor; Nathalia Leal Marinho Costa; Waldeci Paraguassu; Adam Sieradzki; Adam Pikul","Temperature- and pressure-induced phase transitions in the niccolite-type formate framework of [H3N(CH3)4NH3][Mn2(HCOO)6]","Journal of Materials Chemistry C","2016","4","","3185","3194","10.1039/C6TC00611F","","x-ray","0.71073","MoKα","","0.0347","0.0327","","","0.0823","0.0836","","","","","","1.1","","","","has coordinates","219386","2020-10-21","18:00:00",""
"7234666","10.976","0.005","18.029","0.005","9.697","0.005","90","","90.728","0.005","90","","1918.7","1.4","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(<i>E</i>)-3-[5-(Diphenylamino)thiophen-2-yl]-1-(pyridin-3-yl)prop-2-en-1-one","","- C24 H18 N2 O S -","- C24 H18 N2 O S -","- C96 H72 N8 O4 S4 -","4","1","","Jingyun Tan; Yujin Zhang; Meirong Zhang; Xiaohe Tian; Yiming Wang; Shengli Li; Chuankui Wang; Hongping Zhou; Jiaxiang Yang; Yupeng Tian; Jieying Wu","Small molecules of chalcone derivatives with high two-photon absorption activities in the near-IR region","Journal of Materials Chemistry C","2016","4","","3256","3267","10.1039/C6TC00382F","","","0.71069","MoKα","","0.0583","0.0388","","","0.117","0.1377","","","","","","0.947","","","","has coordinates","219387","2020-10-21","18:00:00",""
"7234667","11.145","0.006","18.243","0.009","9.722","0.005","90","","90.995","0.006","90","","1976.4","1.8","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(E)-3-(5-(diphenylamino)thiophen-2-yl)-1-phenylprop-2-en-1-one","","- C25 H19 N O S -","- C25 H19 N O S -","- C100 H76 N4 O4 S4 -","4","1","","Jingyun Tan; Yujin Zhang; Meirong Zhang; Xiaohe Tian; Yiming Wang; Shengli Li; Chuankui Wang; Hongping Zhou; Jiaxiang Yang; Yupeng Tian; Jieying Wu","Small molecules of chalcone derivatives with high two-photon absorption activities in the near-IR region","Journal of Materials Chemistry C","2016","4","","3256","3267","10.1039/C6TC00382F","","","0.71073","MoKα","","0.0726","0.0431","","","0.1092","0.123","","","","","","0.992","","","","has coordinates","219387","2020-10-21","18:00:00",""
"7234668","5.5078","0.0009","13.846","0.002","16.264","0.003","85.22","0.002","84.223","0.002","85.091","0.002","1226","0.4","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","(E)-3-(5-(bis(4-ethoxyphenyl)amino)thiophen-2-yl)-1-phenylprop-2-en-1-one","","- C29 H27 N O3 S -","- C29 H27 N O3 S -","- C58 H54 N2 O6 S2 -","2","1","","Jingyun Tan; Yujin Zhang; Meirong Zhang; Xiaohe Tian; Yiming Wang; Shengli Li; Chuankui Wang; Hongping Zhou; Jiaxiang Yang; Yupeng Tian; Jieying Wu","Small molecules of chalcone derivatives with high two-photon absorption activities in the near-IR region","Journal of Materials Chemistry C","2016","4","","3256","3267","10.1039/C6TC00382F","","","0.71073","MoKα","","0.071","0.0481","","","0.1399","0.1616","","","","","","1.036","","","","has coordinates","219387","2020-10-21","18:00:00",""
"7234669","7.406","0.005","11.831","0.009","14.142","0.01","89.231","0.009","81.249","0.009","89.949","0.009","1224.6","1.5","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","(E)-3-(5-(bis(4-ethoxyphenyl)amino)thiophen-2-yl)-1- (pyridin-2-yl)prop-2-en-1-one","","- C28 H26 N2 O3 S -","- C28 H26 N2 O3 S -","- C56 H52 N4 O6 S2 -","2","1","","Jingyun Tan; Yujin Zhang; Meirong Zhang; Xiaohe Tian; Yiming Wang; Shengli Li; Chuankui Wang; Hongping Zhou; Jiaxiang Yang; Yupeng Tian; Jieying Wu","Small molecules of chalcone derivatives with high two-photon absorption activities in the near-IR region","Journal of Materials Chemistry C","2016","4","","3256","3267","10.1039/C6TC00382F","","","0.71073","MoKα","","0.0636","0.0421","","","0.0994","0.108","","","","","","0.97","","","","has coordinates,has disorder","219387","2020-10-21","18:00:00",""
"7234670","9.185","0.004","11.757","0.005","12.715","0.005","100.884","0.006","101.591","0.005","106.3","0.005","1246.3","0.9","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","(E)-3-(5-(bis(4-ethoxyphenyl)amino)thiophen-2-yl)-1- (pyridin-3-yl)prop-2-en-1-one","","- C28 H26 N2 O3 S -","- C28 H26 N2 O3 S -","- C56 H52 N4 O6 S2 -","2","1","","Jingyun Tan; Yujin Zhang; Meirong Zhang; Xiaohe Tian; Yiming Wang; Shengli Li; Chuankui Wang; Hongping Zhou; Jiaxiang Yang; Yupeng Tian; Jieying Wu","Small molecules of chalcone derivatives with high two-photon absorption activities in the near-IR region","Journal of Materials Chemistry C","2016","4","","3256","3267","10.1039/C6TC00382F","","","0.71073","MoKα","","0.134","0.053","","","0.1083","0.1381","","","","","","0.931","","","","has coordinates,has disorder","219387","2020-10-21","18:00:00",""
"7234671","10.931","0.005","18.464","0.005","9.657","0.005","90","0.005","90","0.005","90","0.005","1949.1","1.4","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(E)-3-(5-(diphenylamino)thiophen-2-yl)-1-(pyridin-2-yl)prop-2-en-1-one","","- C24 H18 N2 O S -","- C24 H18 N2 O S -","- C96 H72 N8 O4 S4 -","4","1","","Jingyun Tan; Yujin Zhang; Meirong Zhang; Xiaohe Tian; Yiming Wang; Shengli Li; Chuankui Wang; Hongping Zhou; Jiaxiang Yang; Yupeng Tian; Jieying Wu","Small molecules of chalcone derivatives with high two-photon absorption activities in the near-IR region","Journal of Materials Chemistry C","2016","4","","3256","3267","10.1039/C6TC00382F","","","0.71069","MoKα","","0.1628","0.0724","","","0.1775","0.2062","","","","","","0.97","","","","has coordinates","219387","2020-10-21","18:00:00",""
"7234672","38.393","0.017","14.694","0.006","18.872","0.008","90","","95.907","0.01","90","","10590","8","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C39 H58 N14 O26 Zn4 -","- C39 H58 N14 O26 Zn4 -","- C312 H464 N112 O208 Zn32 -","8","1","","Hao Zhang; Tianlu Sheng; Shengmin Hu; Chao Zhuo; Ruibiao Fu; Yuehong Wen; Haoran Li; Xintao Wu","Confinement of an electron-capturing unit within an electron-donating framework for X-ray detection","Journal of Materials Chemistry C","2016","4","","3431","3436","10.1039/C6TC00116E","","","0.71073","MoKα","","0.1272","0.099","","","0.2357","0.2576","","","","","","1.066","","","","has coordinates","219388","2020-10-21","18:00:00",""
"7234679","6.0345","0.0003","7.6843","0.0004","22.6054","0.0016","92.827","0.007","96.554","0.007","90.103","0.006","1040.09","0.11","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","BSPAnt","","- C28 H22 S2 -","- C28 H22 S2 -","- C56 H44 S4 -","2","1","","Lijia Yan; Yang Zhao; Hongtao Yu; Zhao Hu; Yaowu He; Aiyuan Li; Osamu Goto; Chaoyi Yan; Ting Chen; Runfeng Chen; Yueh-Lin Loo; Dmitrii F. Perepichka; Hong Meng; Wei Huang","Influence of heteroatoms on the charge mobility of anthracene derivatives","Journal of Materials Chemistry C","2016","4","","3517","3522","10.1039/C6TC01088A","","","1.54178","CuKα","","0.1132","0.0952","","","0.2718","0.2984","","","","","","1.135","","","","has coordinates","219396","2020-10-21","18:00:00",""
"7234680","7.4376","0.0002","6.1629","0.0001","42.296","0.003","90","","90","","90","","1938.73","0.15","293","2","293","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","BOPAnt","","- C28 H22 O2 -","- C28 H22 O2 -","- C112 H88 O8 -","4","0.5","","Lijia Yan; Yang Zhao; Hongtao Yu; Zhao Hu; Yaowu He; Aiyuan Li; Osamu Goto; Chaoyi Yan; Ting Chen; Runfeng Chen; Yueh-Lin Loo; Dmitrii F. Perepichka; Hong Meng; Wei Huang","Influence of heteroatoms on the charge mobility of anthracene derivatives","Journal of Materials Chemistry C","2016","4","","3517","3522","10.1039/C6TC01088A","","","1.54178","CuKα","","0.0469","0.0405","","","0.1071","0.1114","","","","","","1.085","","","","has coordinates","219396","2020-10-21","18:00:00",""
"7234681","22.662","0.0015","7.7188","0.0001","6.0426","0.0001","90","","92.479","0.007","90","","1056","0.07","293","2","293","2","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","","BEPAnt","","- C30 H26 -","- C30 H26 -","- C60 H52 -","2","0.5","","Lijia Yan; Yang Zhao; Hongtao Yu; Zhao Hu; Yaowu He; Aiyuan Li; Osamu Goto; Chaoyi Yan; Ting Chen; Runfeng Chen; Yueh-Lin Loo; Dmitrii F. Perepichka; Hong Meng; Wei Huang","Influence of heteroatoms on the charge mobility of anthracene derivatives","Journal of Materials Chemistry C","2016","4","","3517","3522","10.1039/C6TC01088A","","","1.54187","CuKα","","0.0799","0.071","","","0.1786","0.189","","","","","","1.101","","","","has coordinates,has disorder","219396","2020-10-21","18:00:00",""
"7234682","9.4128","0.0002","10.2247","0.0002","22.8025","0.0006","90","","90","","90","","2194.58","0.09","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C28 H22 N2 O -","- C28 H22 N2 O -","- C112 H88 N8 O4 -","4","1","","Vanga Mukundam; Kunchala Dhanunjayarao; Ramesh Mamidala; Krishnan Venkatasubbaiah","Synthesis, characterization and aggregation induced enhanced emission properties of tetraaryl pyrazole decorated cyclophosphazenes","Journal of Materials Chemistry C","2016","4","","3523","3530","10.1039/C6TC00909C","","","0.71073","MoKα","","0.1002","0.0502","","","0.1024","0.1294","","","","","","1.011","","","","has coordinates","219397","2020-10-21","18:00:00",""
"7234683","12.6054","0.0003","17.2285","0.0004","18.9581","0.0005","64.294","0.001","89.501","0.001","80.523","0.001","3649.95","0.16","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C164 H124 N14 O17 P6 -","- C164 H124 N14 O17 P6 -","- C164 H124 N14 O17 P6 -","1","0.5","","Vanga Mukundam; Kunchala Dhanunjayarao; Ramesh Mamidala; Krishnan Venkatasubbaiah","Synthesis, characterization and aggregation induced enhanced emission properties of tetraaryl pyrazole decorated cyclophosphazenes","Journal of Materials Chemistry C","2016","4","","3523","3530","10.1039/C6TC00909C","","","0.71073","MoKα","","0.1145","0.0705","","","0.2206","0.262","","","","","","1.045","","","","has coordinates","219397","2020-10-21","18:00:00",""
"7234684","9.686","0.003","10.175","0.003","16.709","0.006","90","","102.177","0.005","90","","1609.7","0.9","297","2","297","2","","","","","","","","4","P 1 21 1","P 2yb","4","6-p-Methoxyphenyl HPIP","","","- C20 H16 N2 O2 -","- C20 H16 N2 O2 -","- C80 H64 N8 O8 -","4","2","","Toshiki Mutai; Tatsuya Ohkawa; Hideaki Shono; Koji Araki","The development of aryl-substituted 2-phenylimidazo[1,2-a]pyridines (PIP) with various colors of excited-state intramolecular proton transfer (ESIPT) luminescence in the solid state","Journal of Materials Chemistry C","2016","4","","3599","3606","10.1039/C6TC00376A","","","0.71075","MoKα","","0.0623","0.0419","","","0.078","0.0862","","","","","","0.917","","","","has coordinates","219398","2020-10-21","18:00:00",""
"7234685","11.24","0.001","12.113","0.001","13.506","0.001","100.474","0.002","103.159","0.002","104.477","0.002","1677.2","0.2","298","2","298","2","","","","","","","","4","P -1","-P 1","2","6-p-Methoxycarbonylphenyl HPIP","","","- C21 H16 N2 O3 -","- C21 H16 N2 O3 -","- C84 H64 N8 O12 -","4","2","","Toshiki Mutai; Tatsuya Ohkawa; Hideaki Shono; Koji Araki","The development of aryl-substituted 2-phenylimidazo[1,2-a]pyridines (PIP) with various colors of excited-state intramolecular proton transfer (ESIPT) luminescence in the solid state","Journal of Materials Chemistry C","2016","4","","3599","3606","10.1039/C6TC00376A","","","1.54184","CuKα","","0.0805","0.0729","","","0.1879","0.1948","","","","","","1.099","","","","has coordinates","219398","2020-10-21","18:00:00",""
"7234686","12.846","0.001","17.232","0.001","7.549","0.001","90","","96.393","0.001","90","","1660.7","0.3","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","8-p-Methoxycarbonylphenyl HPIP","","","- C21 H16 N2 O3 -","- C21 H16 N2 O3 -","- C84 H64 N8 O12 -","4","1","","Toshiki Mutai; Tatsuya Ohkawa; Hideaki Shono; Koji Araki","The development of aryl-substituted 2-phenylimidazo[1,2-a]pyridines (PIP) with various colors of excited-state intramolecular proton transfer (ESIPT) luminescence in the solid state","Journal of Materials Chemistry C","2016","4","","3599","3606","10.1039/C6TC00376A","","","1.54184","CuKα","","0.0632","0.0598","","","0.1488","0.1521","","","","","","1.111","","","","has coordinates","219398","2020-10-21","18:00:00",""
"7234687","10.436","0.001","14.221","0.001","12.88","0.001","90","","103.362","0.002","90","","1859.8","0.3","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","6,8-Diphenyl HPIP","","","- C25 H18 N2 O -","- C25 H18 N2 O -","- C100 H72 N8 O4 -","4","1","","Toshiki Mutai; Tatsuya Ohkawa; Hideaki Shono; Koji Araki","The development of aryl-substituted 2-phenylimidazo[1,2-a]pyridines (PIP) with various colors of excited-state intramolecular proton transfer (ESIPT) luminescence in the solid state","Journal of Materials Chemistry C","2016","4","","3599","3606","10.1039/C6TC00376A","","","1.54184","CuKα","","0.1008","0.0925","","","0.1794","0.1836","","","","","","1.299","","","","has coordinates","219398","2020-10-21","18:00:00",""
"7234688","17.318","0.004","6.2349","0.0012","7.3422","0.0015","90","","96.81","0.03","90","","787.2","0.3","113","2","113","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C24 H16 N2 -","- C24 H16 N2 -","- C48 H32 N4 -","2","0.5","","Jie Liu; Weigang Zhu; Ke Zhou; Zongrui Wang; Ye Zou; Qing Meng; Jie Li; Yonggang Zhen; Wenping Hu","Pyridyl-substituted anthracene derivatives with solid-state emission and charge transport properties","Journal of Materials Chemistry C","2016","4","","3621","3627","10.1039/C6TC00499G","","","0.71073","MoKα","","0.0479","0.0404","","","0.1091","0.1131","","","","","","1.063","","","","has coordinates","219399","2020-10-21","18:00:00",""
"7234689","7.4367","0.0015","6.2803","0.0013","35.03","0.007","90","","90","","90","","1636.1","0.6","123","2","123","2","","","","","","","","3","P c a 21","P 2c -2ac","29","","","","- C24 H16 N2 -","- C24 H16 N2 -","- C96 H64 N8 -","4","1","","Jie Liu; Weigang Zhu; Ke Zhou; Zongrui Wang; Ye Zou; Qing Meng; Jie Li; Yonggang Zhen; Wenping Hu","Pyridyl-substituted anthracene derivatives with solid-state emission and charge transport properties","Journal of Materials Chemistry C","2016","4","","3621","3627","10.1039/C6TC00499G","","","0.71073","MoKα","","0.1004","0.0816","","","0.1974","0.2145","","","","","","0.997","","","","has coordinates","219399","2020-10-21","18:00:00",""
"7234690","12.582","0.01","5.997","0.005","10.882","0.009","90","","103.308","0.013","90","","799","1.1","173.15","","173.15","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C24 H16 N2 -","- C24 H16 N2 -","- C48 H32 N4 -","2","0.5","","Jie Liu; Weigang Zhu; Ke Zhou; Zongrui Wang; Ye Zou; Qing Meng; Jie Li; Yonggang Zhen; Wenping Hu","Pyridyl-substituted anthracene derivatives with solid-state emission and charge transport properties","Journal of Materials Chemistry C","2016","4","","3621","3627","10.1039/C6TC00499G","","","0.71073","MoKα","","0.0825","0.0746","","","0.1722","0.1775","","","","","","1.194","","","","has coordinates","219399","2020-10-21","18:00:00",""
"7234704","3.7736","0.0002","18.7721","0.0013","20.9421","0.0015","90","","95.267","0.005","90","","1477.24","0.17","93","","93","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","4,4'-BPy3","","- C42 H28 N6 -","- C42 H28 N6 -","- C84 H56 N12 -","2","0.5","","Yuichiro Watanabe; Hisahiro Sasabe; Daisuke Yokoyama; Teruo Beppu; Hiroshi Katagiri; Junji Kido","Synthesis, properties, and OLED characteristics of 2,2'-bipyridine-based electron-transport materials: the synergistic effect of molecular shape anisotropy and a weak hydrogen-bonding network on molecular orientation","Journal of Materials Chemistry C","2016","4","","3699","3704","10.1039/C5TC03737A","","","0.71075","MoKα","","0.048","0.0439","","","0.1182","0.1212","","","","","","1.055","","","","has coordinates,has disorder","219414","2020-10-21","18:00:00",""
"7234705","32.776","0.012","3.8953","0.0014","23.75","0.009","90","","95.426","0.005","90","","3018.6","1.9","93","","93","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","6,6'-BPy3","","- C42 H28 N6 -","- C42 H28 N6 -","- C168 H112 N24 -","4","0.5","","Yuichiro Watanabe; Hisahiro Sasabe; Daisuke Yokoyama; Teruo Beppu; Hiroshi Katagiri; Junji Kido","Synthesis, properties, and OLED characteristics of 2,2'-bipyridine-based electron-transport materials: the synergistic effect of molecular shape anisotropy and a weak hydrogen-bonding network on molecular orientation","Journal of Materials Chemistry C","2016","4","","3699","3704","10.1039/C5TC03737A","","","0.71075","MoKα","","0.0601","0.0505","","","0.1237","0.1316","","","","","","1.083","","","","has coordinates,has disorder","219414","2020-10-21","18:00:00",""
"7234706","26.891","0.003","7.4319","0.0004","18.017","0.002","90","","125.41","0.017","90","","2934.7","0.8","170","","170","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","DBTO-PTZ","","- C36 H22 N2 O2 S3 -","- C36 H22 N2 O2 S3 -","- C144 H88 N8 O8 S12 -","4","0.5","","Shifeng Gan; Wenwen Luo; Bairong He; Long Chen; Han Nie; Rongrong Hu; Anjun Qin; Zujin Zhao; Ben Zhong Tang","Integration of aggregation-induced emission and delayed fluorescence into electronic donor-acceptor conjugates","Journal of Materials Chemistry C","2016","4","","3705","3708","10.1039/C5TC03588K","","","0.71073","MoKα","","0.059","0.0473","","","0.1208","0.1274","","","","","","1.084","","","","has coordinates","219415","2020-10-21","18:00:00",""
"7234707","4.94184","0.00003","32.8876","0.0002","19.72071","0.00013","90","","96.1585","0.0006","90","","3186.62","0.03","180","0.14","180","0.14","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","DCV-SN6_Hex","","- C34 H30 N6 S4 -","- C34 H30 N6 S4 -","- C136 H120 N24 S16 -","4","1","","Christoph Wetzel; Amaresh Mishra; Elena Mena-Osteritz; Karsten Walzer; Martin Pfeiffer; Peter Bauerle","Development of strongly absorbing S,N-heterohexacene-based donor materials for efficient vacuum-processed organic solar cells","Journal of Materials Chemistry C","2016","4","","3715","3725","10.1039/C5TC03539B","","x-ray","1.54184","CuKα","","0.0353","0.0341","","","0.0864","0.0872","","","","","","1.074","","","","has coordinates,has disorder","219416","2020-10-21","18:00:00",""
"7234708","10.4212","0.0016","15.6794","0.0018","23.613","0.003","90","","100.008","0.004","90","","3799.6","0.9","173","","173","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C40 H36 F10 Ir N4 P -","- C40 H36 F10 Ir N4 P -","- C160 H144 F40 Ir4 N16 P4 -","4","1","","Adam F. Henwood; Ashu K. Bansal; David B. Cordes; Alexandra M. Z. Slawin; Ifor D. W. Samuel; Eli Zysman-Colman","Solubilised bright blue-emitting iridium complexes for solution processed OLEDs","Journal of Materials Chemistry C","2016","4","","3726","3737","10.1039/C6TC00151C","","","0.71075","MoKα","","0.0959","0.0537","","","0.1164","0.134","","","","","","0.998","","","","has coordinates","219417","2020-10-21","18:00:00",""
"7234709","11.239","0.004","16.275","0.005","20.538","0.006","112.85","0.02","94.28","0.02","98.581","0.018","3387","2","173","","173","","","","","","","","","7","P -1","-P 1","2","","","","- C64 H70 F10 Ir N4 O P -","- C64 H70 F10 Ir N4 O P -","- C128 H140 F20 Ir2 N8 O2 P2 -","2","1","","Adam F. Henwood; Ashu K. Bansal; David B. Cordes; Alexandra M. Z. Slawin; Ifor D. W. Samuel; Eli Zysman-Colman","Solubilised bright blue-emitting iridium complexes for solution processed OLEDs","Journal of Materials Chemistry C","2016","4","","3726","3737","10.1039/C6TC00151C","","","1.54187","CuKα","","0.1239","0.106","","","0.2923","0.3111","","","","","","1.079","","","","has coordinates","219417","2020-10-21","18:00:00",""
"7234710","45.7191","0.001","9.4584","0.0017","33.211","0.007","90","","125.688","0.003","90","","11664","3","93","","93","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C58 H54 F10 Ir N6 O P -","- C58 H54 F10 Ir N6 O P -","- C464 H432 F80 Ir8 N48 O8 P8 -","8","1","","Adam F. Henwood; Ashu K. Bansal; David B. Cordes; Alexandra M. Z. Slawin; Ifor D. W. Samuel; Eli Zysman-Colman","Solubilised bright blue-emitting iridium complexes for solution processed OLEDs","Journal of Materials Chemistry C","2016","4","","3726","3737","10.1039/C6TC00151C","","","0.71075","MoKα","","0.1173","0.0772","","","0.1992","0.2938","","","","","","1.21","","","","has coordinates","219417","2020-10-21","18:00:00",""
"7234711","11.2797","0.0002","31.164","0.0005","11.8865","0.0002","90","","111.64","0.002","90","","3883.86","0.13","100","0.1","100","0.1","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C36 H30 Cl6 F4 Ir N3 O4 -","- C36 H30 Cl6 F4 Ir N3 O4 -","- C144 H120 Cl24 F16 Ir4 N12 O16 -","4","1","","Yafei Wang; Ning Sun; Basile F. E. Curchod; Louise Male; Dongge Ma; Jiang Fan; Yu Liu; Weiguo Zhu; Etienne Baranoff","Tuning the oxidation potential of 2-phenylpyridine-based iridium complexes to improve the performance of bluish and white OLEDs","Journal of Materials Chemistry C","2016","4","","3738","3746","10.1039/C5TC02355F","","x-ray","1.54184","CuKα","","0.0339","0.0298","","","0.071","0.0738","","","","","","1.012","","","","has coordinates","219418","2020-10-21","18:00:00",""
"7234712","13.2592","0.0003","17.0439","0.0004","17.1957","0.0004","113.094","0.002","105.613","0.0019","99.0525","0.0018","3287.63","0.16","100","0.1","100","0.1","","","","","","","","7","P -1","-P 1","2","","","","- C33.5 H32 Cl F4 Ir N2 O4 -","- C33.5 H32 Cl F4 Ir N2 O4 -","- C134 H128 Cl4 F16 Ir4 N8 O16 -","4","2","","Yafei Wang; Ning Sun; Basile F. E. Curchod; Louise Male; Dongge Ma; Jiang Fan; Yu Liu; Weiguo Zhu; Etienne Baranoff","Tuning the oxidation potential of 2-phenylpyridine-based iridium complexes to improve the performance of bluish and white OLEDs","Journal of Materials Chemistry C","2016","4","","3738","3746","10.1039/C5TC02355F","","x-ray","0.71073","MoKα","","0.0359","0.0268","","","0.0552","0.0601","","","","","","1.064","","","","has coordinates,has disorder","219418","2020-10-21","18:00:00",""
"7234713","9.4809","0.0004","12.3964","0.0005","12.9136","0.0005","83.4164","0.0014","84.3822","0.0014","75.5048","0.0014","1455.94","0.1","120","","120","","","","","","","","","5","P -1","-P 1","2","","2,7-Bis(phenoxazin-10-yl)-9,9-dimethylthioxanthene-S,S-dioxide","","- C39 H28 N2 O4 S -","- C39 H28 N2 O4 S -","- C78 H56 N4 O8 S2 -","2","1","","Paloma L. Santos; Jonathan S. Ward; Przemyslaw Data; Andrei S. Batsanov; Martin R. Bryce; Fernando B. Dias; Andrew P. Monkman","Engineering the singlet-triplet energy splitting in a TADF molecule","Journal of Materials Chemistry C","2016","4","","3815","3824","10.1039/C5TC03849A","","x-ray","0.71073","MoKα","","0.0625","0.0442","","","0.1045","0.1132","","","","","","1.027","","","","has coordinates","219419","2020-10-21","18:00:00",""
"7234714","11.024","0.001","15.0242","0.0013","18.1498","0.0016","109.274","0.004","96.649","0.003","109.556","0.003","2586","0.4","123","","123","","","","","","","","S. Keller","8","P -1","-P 1","2","","","","- C52.6 H48 Cl2 Cu F6 N2 O1.4 P3 -","- C52.6 H48 Cl2 Cu F6 N2 O1.4 P3 -","- C105.2 H96 Cl4 Cu2 F12 N4 O2.8 P6 -","2","1","","Sarah Keller; Antonio Pertegas; Giulia Longo; Laura Martinez; Jesus Cerda; Jose M. Junquera-Hernandez; Alessandro Prescimone; Edwin C. Constable; Catherine E. Housecroft; Enrique Orti; Henk J. Bolink","Shine bright or live long: substituent effects in [Cu(N/Ν)(P/Π)]±based light-emitting electrochemical cells where N/Ν is a 6-substituted 2,2'-bipyridine","Journal of Materials Chemistry C","2016","4","","3857","3871","10.1039/C5TC03725E","","","1.5418","CuKα","","0.0673","0.066","","0.177","0.1763","0.177","","","","","","1.0065","","","","has coordinates","219420","2020-10-21","18:00:00",""
"7234715","11.352","0.0007","14.0919","0.0009","14.8225","0.001","89.24","0.002","68.865","0.002","88.481","0.002","2210.9","0.2","123","","123","","","","","","","","S.Keller","7","P -1","-P 1","2","","","","- C51 H44 Cu F6 N2 O P3 -","- C51 H44 Cu F6 N2 O P3 -","- C102 H88 Cu2 F12 N4 O2 P6 -","2","1","","Sarah Keller; Antonio Pertegas; Giulia Longo; Laura Martinez; Jesus Cerda; Jose M. Junquera-Hernandez; Alessandro Prescimone; Edwin C. Constable; Catherine E. Housecroft; Enrique Orti; Henk J. Bolink","Shine bright or live long: substituent effects in [Cu(N/Ν)(P/Π)]±based light-emitting electrochemical cells where N/Ν is a 6-substituted 2,2'-bipyridine","Journal of Materials Chemistry C","2016","4","","3857","3871","10.1039/C5TC03725E","","","1.54178","CuKα","","0.0563","0.0549","","0.1386","0.138","0.1385","","","","","","0.8779","","","","has coordinates","219420","2020-10-21","18:00:00",""
"7234716","9.8765","0.001","14.2651","0.0015","18.6704","0.0019","103.932","0.003","95.012","0.003","107.013","0.003","2405.8","0.4","123","","123","","","","","","","","Sarah Keller","7","P -1","-P 1","2","","","","- C52 H50 Cu F6 N2 O2 P3 -","- C52 H50 Cu F6 N2 O2 P3 -","- C104 H100 Cu2 F12 N4 O4 P6 -","2","1","","Sarah Keller; Antonio Pertegas; Giulia Longo; Laura Martinez; Jesus Cerda; Jose M. Junquera-Hernandez; Alessandro Prescimone; Edwin C. Constable; Catherine E. Housecroft; Enrique Orti; Henk J. Bolink","Shine bright or live long: substituent effects in [Cu(N/Ν)(P/Π)]±based light-emitting electrochemical cells where N/Ν is a 6-substituted 2,2'-bipyridine","Journal of Materials Chemistry C","2016","4","","3857","3871","10.1039/C5TC03725E","","","1.5418","CuKα","","0.0537","0.0534","","0.1356","0.1355","0.1356","","","","","","1.023","","","","has coordinates","219420","2020-10-21","18:00:00",""
"7234717","11.7097","0.0007","14.094","0.0008","16.9221","0.001","110.418","0.002","105.114","0.002","96.608","0.002","2460.4","0.3","123","","123","","","","","","","","Sarah Keller","7","P -1","-P 1","2","","","","- C56 H50 Cu F6 N2 O2 P3 -","- C56 H50 Cu F6 N2 O2 P3 -","- C112 H100 Cu2 F12 N4 O4 P6 -","2","1","","Sarah Keller; Antonio Pertegas; Giulia Longo; Laura Martinez; Jesus Cerda; Jose M. Junquera-Hernandez; Alessandro Prescimone; Edwin C. Constable; Catherine E. Housecroft; Enrique Orti; Henk J. Bolink","Shine bright or live long: substituent effects in [Cu(N/Ν)(P/Π)]±based light-emitting electrochemical cells where N/Ν is a 6-substituted 2,2'-bipyridine","Journal of Materials Chemistry C","2016","4","","3857","3871","10.1039/C5TC03725E","","","1.54178","CuKα","","0.0425","0.0421","","0.1095","0.1093","0.1094","","","","","","0.977","","","","has coordinates","219420","2020-10-21","18:00:00",""
"7234718","10.9607","0.0007","15.129","0.001","18.4236","0.0013","110.648","0.004","96.075","0.004","108.716","0.003","2623.7","0.3","123","","123","","","","","","","","Sarah Keller","8","P -1","-P 1","2","","","","- C52 H49 Cl2 Cu F6 N2 O2.5 P3 -","- C52 H49 Cl2 Cu F6 N2 O2.5 P3 -","- C104 H98 Cl4 Cu2 F12 N4 O5 P6 -","2","1","","Sarah Keller; Antonio Pertegas; Giulia Longo; Laura Martinez; Jesus Cerda; Jose M. Junquera-Hernandez; Alessandro Prescimone; Edwin C. Constable; Catherine E. Housecroft; Enrique Orti; Henk J. Bolink","Shine bright or live long: substituent effects in [Cu(N/Ν)(P/Π)]±based light-emitting electrochemical cells where N/Ν is a 6-substituted 2,2'-bipyridine","Journal of Materials Chemistry C","2016","4","","3857","3871","10.1039/C5TC03725E","","","1.5418","CuKα","","0.0756","0.0694","","0.1894","0.186","0.1894","","","","","","0.6844","","","","has coordinates","219420","2020-10-21","18:00:00",""
"7234719","10.1842","0.0007","29.746","0.002","16.163","0.0012","90","","98.762","0.003","90","","4839.3","0.6","123","","123","","","","","","","","Sarah Keller","7","P 1 21/n 1","-P 2yn","14","","","","- C55 H44 Cu F6 N2 O P3 -","- C55 H44 Cu F6 N2 O P3 -","- C220 H176 Cu4 F24 N8 O4 P12 -","4","1","","Sarah Keller; Antonio Pertegas; Giulia Longo; Laura Martinez; Jesus Cerda; Jose M. Junquera-Hernandez; Alessandro Prescimone; Edwin C. Constable; Catherine E. Housecroft; Enrique Orti; Henk J. Bolink","Shine bright or live long: substituent effects in [Cu(N/Ν)(P/Π)]±based light-emitting electrochemical cells where N/Ν is a 6-substituted 2,2'-bipyridine","Journal of Materials Chemistry C","2016","4","","3857","3871","10.1039/C5TC03725E","","","1.54178","CuKα","","0.0616","0.0442","","0.1159","0.0715","0.1159","","","","","","1.0005","","","","has coordinates","219420","2020-10-21","18:00:00",""
"7234720","37.95","0.008","3.8","0.0008","23.96","0.005","90","","122.05","0.03","90","","2928.6","1.4","100","","100","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","2,7,13,18-tetramethoxytetrabenzo[f,h,r,t]rubicene","","- C92 H60 O8 -","- C92 H60 O8 -","- C184 H120 O16 -","2","0.25","","Sambasiva R. Bheemireddy; Pamela C. Ubaldo; Aaron D. Finke; Lichang Wang; Kyle N. Plunkett","Contorted aromatics via a palladium-catalyzed cyclopentannulation strategy","Journal of Materials Chemistry C","2016","4","","3963","3969","10.1039/C5TC02305J","","","0.61933","synchrotron","","0.0565","0.0547","","","0.1565","0.1582","","","","","","1.059","","","","has coordinates","219421","2020-10-21","18:00:00",""
"7234721","14.339","0.006","9.36","0.003","17.092","0.007","90","","108.095","0.015","90","","2180.5","1.5","110","","110","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C26 H23 B F2 N4 -","- C26 H23 B F2 N4 -","- C104 H92 B4 F8 N16 -","4","1","","Samantha Novoa; Joseph A. Paquette; Stephanie M. Barbon; Ryan R. Maar; Joe B. Gilroy","Side-chain boron difluoride formazanate polymers via ring-opening metathesis polymerization","Journal of Materials Chemistry C","2016","4","","3987","3994","10.1039/C5TC03287C","","","0.71073","MoKα","","0.0985","0.0622","","","0.1425","0.1621","","","","","","1.036","","","","has coordinates,has disorder","219422","2020-10-21","18:00:00",""
"7234722","10.4721","0.0007","20.8688","0.0013","14.2792","0.001","90","","98.592","0.004","90","","3085.6","0.4","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","SSB-10-102","Nelson04","","- C37 H39 N O4 -","- C37 H39 N O4 -","- C148 H156 N4 O16 -","4","1","","Subhashini Selvaraju; Santosh Adhikari; RaiAnna A. Hopson; Shuo Dai; Arnold L. Rheingold; Mario F. Borunda; Toby L. Nelson","Effects of structural variations on the optical and electronic properties of eumelanin-inspired small molecules","Journal of Materials Chemistry C","2016","4","","3995","3999","10.1039/C5TC03982G","","","0.71073","MoKα","","0.1031","0.0559","","","0.1349","0.1592","","","","","","1.025","","","","has coordinates","219423","2020-10-21","18:00:00",""
"7234723","14.0196","0.0003","13.8603","0.0004","12.8511","0.0004","90","","90.778","0.001","90","","2496.94","0.12","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","SSB-14-17","Nelson05","","- C29 H21 N3 O8 -","- C29 H21 N3 O8 -","- C116 H84 N12 O32 -","4","1","","Subhashini Selvaraju; Santosh Adhikari; RaiAnna A. Hopson; Shuo Dai; Arnold L. Rheingold; Mario F. Borunda; Toby L. Nelson","Effects of structural variations on the optical and electronic properties of eumelanin-inspired small molecules","Journal of Materials Chemistry C","2016","4","","3995","3999","10.1039/C5TC03982G","","","0.71073","MoKα","","0.0553","0.0399","","","0.098","0.1082","","","","","","1.036","","","","has coordinates","219423","2020-10-21","18:00:00",""
"7234724","23.809","0.004","13.756","0.003","7.2297","0.0012","90","","90","","90","","2367.8","0.8","100","2","100","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","Nelson002","","- C29 H21 F2 N O4 -","- C29 H21 F2 N O4 -","- C116 H84 F8 N4 O16 -","4","1","","Subhashini Selvaraju; Santosh Adhikari; RaiAnna A. Hopson; Shuo Dai; Arnold L. Rheingold; Mario F. Borunda; Toby L. Nelson","Effects of structural variations on the optical and electronic properties of eumelanin-inspired small molecules","Journal of Materials Chemistry C","2016","4","","3995","3999","10.1039/C5TC03982G","","","0.71073","MoKα","","0.1051","0.0671","","","0.1461","0.1652","","","","","","0.942","","","","has coordinates","219423","2020-10-21","18:00:00",""
"7234725","19.825","0.003","7.4082","0.001","22.347","0.003","90","","95.552","0.002","90","","3266.7","0.8","133","2","133","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","8,8'-dimethyl-4,4'-diphenyl-2,2'-di-p-tolyl-6,6'-biquinoline","","- C46 H36 N2 -","- C46 H36 N2 -","- C184 H144 N8 -","4","1","","Mehran J. Umerani; David J. Dibble; Austin G. Wardrip; Amir Mazaheripour; Eriberto Vargas; Joseph W. Ziller; Alon A. Gorodetsky","Synthesis of polyquinolines via an AA/BB-type aza-Diels-Alder polymerization reaction","Journal of Materials Chemistry C","2016","4","","4060","4066","10.1039/C5TC03974F","","","0.71073","MoKα","","0.0816","0.0515","","","0.139","0.1591","","","","","","1.021","","","","has coordinates","219424","2020-10-21","18:00:00",""
"7234726","10.659","0.0019","12.327","0.002","18.406","0.004","90","","90","","90","","2418.4","0.8","293","2","293","2","","","","","","","","6","I 2 2 2","I 2 2","23","","","","- C16 H8 Dy0.5 N8 O12 Zn2 -","- C16 H8 Dy0.5 N8 O12 Zn2 -","- C64 H32 Dy2 N32 O48 Zn8 -","4","0.5","","Yu-Fei Li; Dan Wang; Zhuang Liao; Yang Kang; Wei-Hua Ding; Xiang-Jun Zheng; Lin-Pei Jin","Luminescence tuning of the Dy-Zn metal-organic framework and its application in the detection of Fe(iii) ions","Journal of Materials Chemistry C","2016","4","","4211","4217","10.1039/C6TC00832A","","","0.71073","MoKα","","0.0478","0.0455","","","0.144","0.1457","","","","","","1.166","","","","has coordinates,has disorder","219425","2020-10-21","18:00:00",""
"7234727","13.201","0.0004","15.9948","0.0004","19.217","0.0007","90.118","0.003","97.538","0.003","95.431","0.002","4004.1","0.2","143","0.1","143","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C45 H31 Ir N6 O2 -","- C45 H31 Ir N6 O2 -","- C180 H124 Ir4 N24 O8 -","4","2","","Yan Jiao; Ming Li; Ning Wang; Tao Lu; Liang Zhou; Yan Huang; Zhiyun Lu; Daibing Luo; Xuemei Pu","A facile color-tuning strategy for constructing a library of Ir(iii) complexes with fine-tuned phosphorescence from bluish green to red using a synergetic substituent effect of -OCH3 and -CN at only the C-ring of C/Ν ligand","Journal of Materials Chemistry C","2016","4","","4269","4277","10.1039/C6TC00153J","","","0.71073","MoKα","","0.1133","0.0633","","","0.1242","0.143","","","","","","0.962","","","","has coordinates,has disorder","219426","2020-10-21","18:00:00",""
"7234728","12.9834","0.0005","12.9966","0.0006","17.3152","0.0007","107.588","0.004","97.441","0.003","110.78","0.004","2510.5","0.2","143","0.1","143","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C47 H35 Ir N6 O4 -","- C47 H35 Ir N6 O4 -","- C94 H70 Ir2 N12 O8 -","2","1","","Yan Jiao; Ming Li; Ning Wang; Tao Lu; Liang Zhou; Yan Huang; Zhiyun Lu; Daibing Luo; Xuemei Pu","A facile color-tuning strategy for constructing a library of Ir(iii) complexes with fine-tuned phosphorescence from bluish green to red using a synergetic substituent effect of -OCH3 and -CN at only the C-ring of C/Ν ligand","Journal of Materials Chemistry C","2016","4","","4269","4277","10.1039/C6TC00153J","","","0.71073","MoKα","","0.1081","0.101","","","0.2738","0.279","","","","","","1.074","","","","has coordinates","219426","2020-10-21","18:00:00",""
"7234729","24.588","0.002","14.8019","0.0005","18.5369","0.0015","90","","137.444","0.016","90","","4562.7","1.5","140","0.1","140","0.1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C45 H31 Ir N6 O2 -","- C45 H31 Ir N6 O2 -","- C180 H124 Ir4 N24 O8 -","4","0.5","","Yan Jiao; Ming Li; Ning Wang; Tao Lu; Liang Zhou; Yan Huang; Zhiyun Lu; Daibing Luo; Xuemei Pu","A facile color-tuning strategy for constructing a library of Ir(iii) complexes with fine-tuned phosphorescence from bluish green to red using a synergetic substituent effect of -OCH3 and -CN at only the C-ring of C/Ν ligand","Journal of Materials Chemistry C","2016","4","","4269","4277","10.1039/C6TC00153J","","","0.71073","MoKα","","0.0415","0.0362","","","0.087","0.0894","","","","","","1.079","","","","has coordinates","219426","2020-10-21","18:00:00",""
"7234730","13.1742","0.0003","13.1742","0.0003","28.3375","0.0008","90","","90","","90","","4918.2","0.2","143.05","0.1","143.05","0.1","","","","","","","","5","P 41 21 2","P 4abw 2nw","92","","","","- C47 H35 Ir N6 O4 -","- C47 H35 Ir N6 O4 -","- C188 H140 Ir4 N24 O16 -","4","0.5","","Yan Jiao; Ming Li; Ning Wang; Tao Lu; Liang Zhou; Yan Huang; Zhiyun Lu; Daibing Luo; Xuemei Pu","A facile color-tuning strategy for constructing a library of Ir(iii) complexes with fine-tuned phosphorescence from bluish green to red using a synergetic substituent effect of -OCH3 and -CN at only the C-ring of C/Ν ligand","Journal of Materials Chemistry C","2016","4","","4269","4277","10.1039/C6TC00153J","","","0.71073","MoKα","","0.064","0.0597","","","0.1261","0.1279","","","","","","1.173","","","","has coordinates","219426","2020-10-21","18:00:00",""
"7234766","8.632","0.002","5.2017","0.0017","14.695","0.004","90","","91","0.03","90","","659.7","0.3","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","BOXD","2,2-bis(phenyl)-bi-1,3,4-oxadiazole","","- C32 H20 N8 O4 -","- C32 H20 N8 O4 -","- C32 H20 N8 O4 -","1","0.25","","Fangyi Chen; Taiji Tian; Binglian Bai; Jian Wang; Haitao Wang; Min Li","Crystal structures, intermolecular interactions and fluorescence properties of a series of symmetrical bi-1,3,4-oxadiazole derivatives","Journal of Materials Chemistry C","2016","4","","4451","4458","10.1039/C6TC00324A","","","0.71073","MoKα","","0.0757","0.0469","","","0.0925","0.1047","","","","","","1.077","","","","has coordinates","220064","2020-10-21","18:00:00",""
"7234767","6.73","0.0013","7.8225","0.0016","13.239","0.003","90","","92.76","0.03","90","","696.2","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","BOXD-m-F","2,2-bis(3-fluorophenyl)-bi-1,3,4-oxadiazole","","- C16 H8 F2 N4 O2 -","- C16 H8 F2 N4 O2 -","- C32 H16 F4 N8 O4 -","2","0.5","","Fangyi Chen; Taiji Tian; Binglian Bai; Jian Wang; Haitao Wang; Min Li","Crystal structures, intermolecular interactions and fluorescence properties of a series of symmetrical bi-1,3,4-oxadiazole derivatives","Journal of Materials Chemistry C","2016","4","","4451","4458","10.1039/C6TC00324A","","","0.71073","MoKα","","0.0546","0.0477","","","0.1208","0.1263","","","","","","1.104","","","","has coordinates","220064","2020-10-21","18:00:00",""
"7234768","8.0707","0.0016","6.187","0.0012","13.704","0.003","90","","95.88","0.03","90","","680.7","0.2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","BOXD-o-F","2,2-bis(2-fluorophenyl)-bi-1,3,4-oxadiazole","","- C16 H8 F2 N4 O2 -","- C16 H8 F2 N4 O2 -","- C32 H16 F4 N8 O4 -","2","0.5","","Fangyi Chen; Taiji Tian; Binglian Bai; Jian Wang; Haitao Wang; Min Li","Crystal structures, intermolecular interactions and fluorescence properties of a series of symmetrical bi-1,3,4-oxadiazole derivatives","Journal of Materials Chemistry C","2016","4","","4451","4458","10.1039/C6TC00324A","","","0.71073","MoKα","","0.0853","0.0577","","","0.1578","0.177","","","","","","1.089","","","","has coordinates","220064","2020-10-21","18:00:00",""
"7234769","3.9373","0.0008","11.632","0.002","16.943","0.003","90","","96.33","0.03","90","","771.2","0.3","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","BOXD-o-OCH3","2,2-bis(2-methyloxyphenyl)-bi-1,3,4-oxadiazole","","- C18 H14 N4 O4 -","- C18 H14 N4 O4 -","- C36 H28 N8 O8 -","2","0.5","","Fangyi Chen; Taiji Tian; Binglian Bai; Jian Wang; Haitao Wang; Min Li","Crystal structures, intermolecular interactions and fluorescence properties of a series of symmetrical bi-1,3,4-oxadiazole derivatives","Journal of Materials Chemistry C","2016","4","","4451","4458","10.1039/C6TC00324A","","","0.71073","MoKα","","0.0457","0.0392","","","0.1106","0.1146","","","","","","1.104","","","","has coordinates","220064","2020-10-21","18:00:00",""
"7234770","13.425","0.003","3.8641","0.0008","27.628","0.006","90","","99.63","0.03","90","","1413","0.5","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","BOXD-p-F","2,2-bis(4-fluorophenyl)-bi-1,3,4-oxadiazole","","- C16 H8 F2 N4 O2 -","- C16 H8 F2 N4 O2 -","- C64 H32 F8 N16 O8 -","4","1","","Fangyi Chen; Taiji Tian; Binglian Bai; Jian Wang; Haitao Wang; Min Li","Crystal structures, intermolecular interactions and fluorescence properties of a series of symmetrical bi-1,3,4-oxadiazole derivatives","Journal of Materials Chemistry C","2016","4","","4451","4458","10.1039/C6TC00324A","","","0.71073","MoKα","","0.0932","0.0433","","","0.0952","0.1127","","","","","","0.926","","","","has coordinates","220064","2020-10-21","18:00:00",""
"7234771","3.8535","0.0008","15.665","0.003","10.114","0.002","90","","97.98","0.03","90","","604.6","0.2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","TBOXD","2,2-bis(thienyl)-bi-1,3,4-oxadiazole","","- C12 H6 N4 O2 S2 -","- C12 H6 N4 O2 S2 -","- C24 H12 N8 O4 S4 -","2","0.5","","Fangyi Chen; Taiji Tian; Binglian Bai; Jian Wang; Haitao Wang; Min Li","Crystal structures, intermolecular interactions and fluorescence properties of a series of symmetrical bi-1,3,4-oxadiazole derivatives","Journal of Materials Chemistry C","2016","4","","4451","4458","10.1039/C6TC00324A","","","0.71073","MoKα","","0.0519","0.0428","","","0.1091","0.114","","","","","","1.092","","","","has coordinates","220064","2020-10-21","18:00:00",""
"7234772","11.4915","0.0012","14.5392","0.0016","15.7532","0.0017","90","","90","","90","","2632","0.5","296","2","296","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C33 H18 B F2 N3 O3 -","- C33 H18 B F2 N3 O3 -","- C132 H72 B4 F8 N12 O12 -","4","1","","Yanping Wu; Sisi Wang; Zhifang Li; Zhen Shen; Hua Lu","Chiral binaphthyl-linked BODIPY analogues: synthesis and spectroscopic properties","Journal of Materials Chemistry C","2016","4","","4668","4674","10.1039/C6TC00975A","","","0.71073","MoKα","","0.0624","0.0387","","","0.0812","0.0918","","","","","","1.015","","","","has coordinates","220065","2020-10-21","18:00:00",""
"7234773","11.4844","0.0015","14.5457","0.0016","15.7575","0.0019","90","","90","","90","","2632.3","0.6","296","2","296","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C33 H18 B F2 N3 O3 -","- C33 H18 B F2 N3 O3 -","- C132 H72 B4 F8 N12 O12 -","4","1","","Yanping Wu; Sisi Wang; Zhifang Li; Zhen Shen; Hua Lu","Chiral binaphthyl-linked BODIPY analogues: synthesis and spectroscopic properties","Journal of Materials Chemistry C","2016","4","","4668","4674","10.1039/C6TC00975A","","","0.71073","MoKα","","0.068","0.0407","","","0.0855","0.1049","","","","","","1.035","","","","has coordinates","220065","2020-10-21","18:00:00",""
"7234774","8.9442","0.0009","25.154","0.002","6.7966","0.0007","90","","98.632","0.007","90","","1511.8","0.3","200","2","200","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C28 H20 O20 Sr2 -","- C28 H16 O20 Sr2 -","- C56 H32 O40 Sr4 -","2","0.5","","Muhammad Usman; Golam Haider; Shruti Mendiratta; Tzuoo-Tsair Luo; Yang-Fang Chen; Kuang-Lieh Lu","Continuous broadband emission from a metal-organic framework as a human-friendly white light source","Journal of Materials Chemistry C","2016","4","","4728","4732","10.1039/C6TC00839A","","","0.71073","MoKα","","0.0702","0.0496","","","0.1169","0.1276","","","","","","1.043","","","","has coordinates","220081","2020-10-21","18:00:00",""
"7234775","5.9071","0.0005","8.9508","0.0008","20.8754","0.0013","99.023","0.006","96.445","0.006","95.404","0.007","1076.15","0.15","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C32 H22 O -","- C32 H22 O -","- C64 H44 O2 -","2","1","","Zhiju Zhao; Taixin Chen; Shuting Jiang; Zhengping Liu; Decai Fang; Yong Qiang Dong","The construction of a multicolored mechanochromic luminogen with high contrast through the combination of a large conjugation core and peripheral phenyl rings","Journal of Materials Chemistry C","2016","4","","4800","4804","10.1039/C6TC00972G","","","0.71073","MoKα","","0.074","0.0493","","","0.1062","0.1181","","","","","","1.052","","","","has coordinates","220082","2020-10-21","18:00:00",""
"7234776","5.5225","0.0004","8.0712","0.0004","31.0578","0.0015","94.482","0.004","92.994","0.005","105.696","0.005","1324.76","0.14","123","2","123","2","","","","","","","","4","P -1","-P 1","2","","2,7-dioctyloxy-[1]benzothieno[3,2,b]benzothiophene","","- C30 H40 O2 S2 -","- C30 H40 O2 S2 -","- C60 H80 O4 S4 -","2","1","","Christian Ruzie; Jolanta Karpinska; Anne Laurent; Lionel Sanguinet; Simon Hunter; Thomas D. Anthopoulos; Vincent Lemaur; Jerome Cornil; Alan R. Kennedy; Oliver Fenwick; Paolo Samori; Guillaume Schweicher; Basab Chattopadhyay; Yves Henri Geerts","Design, synthesis, chemical stability, packing, cyclic voltammetry, ionisation potential, and charge transport of [1]benzothieno[3,2-b][1]benzothiophene derivatives","Journal of Materials Chemistry C","2016","4","","4863","4879","10.1039/C6TC01409G","","","0.71073","MoKα","","0.0939","0.0537","","","0.0918","0.104","","","","","","1.054","","","","has coordinates","220094","2020-10-21","18:00:00",""
"7234777","7.639","0.003","7.759","0.003","42.556","0.017","90","","90","","90","","2522.3","1.7","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C28 H36 O2 S2 -","- C28 H36 O2 S2 -","- C112 H144 O8 S8 -","4","1","","Christian Ruzie; Jolanta Karpinska; Anne Laurent; Lionel Sanguinet; Simon Hunter; Thomas D. Anthopoulos; Vincent Lemaur; Jerome Cornil; Alan R. Kennedy; Oliver Fenwick; Paolo Samori; Guillaume Schweicher; Basab Chattopadhyay; Yves Henri Geerts","Design, synthesis, chemical stability, packing, cyclic voltammetry, ionisation potential, and charge transport of [1]benzothieno[3,2-b][1]benzothiophene derivatives","Journal of Materials Chemistry C","2016","4","","4863","4879","10.1039/C6TC01409G","","","0.71073","MoKα","","0.0511","0.0489","","","0.1207","0.1232","","","","","","1.064","","","","has coordinates","220094","2020-10-21","18:00:00",""
"7234778","23.0898","0.0013","5.6492","0.0003","11.3886","0.0008","90","","93.482","0.005","90","","1482.77","0.16","123","2","123","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C30 H30 F10 O2 S2 -","- C30 H30 F10 O2 S2 -","- C60 H60 F20 O4 S4 -","2","0.5","","Christian Ruzie; Jolanta Karpinska; Anne Laurent; Lionel Sanguinet; Simon Hunter; Thomas D. Anthopoulos; Vincent Lemaur; Jerome Cornil; Alan R. Kennedy; Oliver Fenwick; Paolo Samori; Guillaume Schweicher; Basab Chattopadhyay; Yves Henri Geerts","Design, synthesis, chemical stability, packing, cyclic voltammetry, ionisation potential, and charge transport of [1]benzothieno[3,2-b][1]benzothiophene derivatives","Journal of Materials Chemistry C","2016","4","","4863","4879","10.1039/C6TC01409G","","","0.71073","MoKα","","0.0632","0.0452","","","0.1025","0.1156","","","","","","1.024","","","","has coordinates","220094","2020-10-21","18:00:00",""
"7234779","49.296","0.002","5.4166","0.0003","10.2355","0.0006","90","","96.31","0.005","90","","2716.5","0.2","123","2","123","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C28 H36 O4 S4 -","- C28 H36 O4 S4 -","- C112 H144 O16 S16 -","4","0.5","","Christian Ruzie; Jolanta Karpinska; Anne Laurent; Lionel Sanguinet; Simon Hunter; Thomas D. Anthopoulos; Vincent Lemaur; Jerome Cornil; Alan R. Kennedy; Oliver Fenwick; Paolo Samori; Guillaume Schweicher; Basab Chattopadhyay; Yves Henri Geerts","Design, synthesis, chemical stability, packing, cyclic voltammetry, ionisation potential, and charge transport of [1]benzothieno[3,2-b][1]benzothiophene derivatives","Journal of Materials Chemistry C","2016","4","","4863","4879","10.1039/C6TC01409G","","","1.5418","CuKα","","0.036","0.0333","","","0.0879","0.0912","","","","","","1.041","","","","has coordinates","220094","2020-10-21","18:00:00",""
"7234780","11.4145","0.0002","11.5693","0.0002","17.3062","0.0003","90","","90","","90","","2285.42","0.07","323","2","323","2","","","","","","","","3","I b a m","-I 2 2c","72","","","","- C18 Co N10 -","- C17.96 Co N10 -","- C71.84 Co4 N40 -","4","0.25","","J. M. Bermudez-Garcia; M. Sanchez-Andujar; S. Yanez-Vilar; S. Castro-Garcia; R. Artiaga; J. Lopez-Beceiro; L. Botana; A. Alegria; M. A. Senaris-Rodriguez","Multiple phase and dielectric transitions on a novel multi-sensitive [TPrA][M(dca)3] (M: Fe2+, Co2+ and Ni2+) hybrid inorganic-organic perovskite family","Journal of Materials Chemistry C","2016","4","","4889","4898","10.1039/C6TC00723F","","","0.71073","MoKα","","0.0491","0.0402","","","0.1145","0.1251","","","","","","1.115","","","","has coordinates","220095","2020-10-21","18:00:00",""
"7234781","17.2246","0.0006","23.0205","0.0009","22.831","0.0008","90","","90","","90","","9052.9","0.6","300","2","300","2","","","","","","","","4","P n n a","-P 2a 2bc","52","","","","- C18 H28 Co N10 -","- C18 H10.5 Co N10 -","- C288 H168 Co16 N160 -","16","2","","J. M. Bermudez-Garcia; M. Sanchez-Andujar; S. Yanez-Vilar; S. Castro-Garcia; R. Artiaga; J. Lopez-Beceiro; L. Botana; A. Alegria; M. A. Senaris-Rodriguez","Multiple phase and dielectric transitions on a novel multi-sensitive [TPrA][M(dca)3] (M: Fe2+, Co2+ and Ni2+) hybrid inorganic-organic perovskite family","Journal of Materials Chemistry C","2016","4","","4889","4898","10.1039/C6TC00723F","","","0.71073","MoKα","","0.137","0.0747","","","0.2068","0.2717","","","","","","1.036","","","","has coordinates","220096","2020-10-21","18:00:00",""
"7234782","16.1258","0.0004","16.1258","0.0004","17.1229","0.0004","90","","90","","90","","4452.66","0.19","200","2","200","2","","","","","","","","4","P -4 21 c","P -4 2n","114","","","","- C18 H28 Co N10 -","- C18 H7 Co N10 -","- C144 H56 Co8 N80 -","8","1","","J. M. Bermudez-Garcia; M. Sanchez-Andujar; S. Yanez-Vilar; S. Castro-Garcia; R. Artiaga; J. Lopez-Beceiro; L. Botana; A. Alegria; M. A. Senaris-Rodriguez","Multiple phase and dielectric transitions on a novel multi-sensitive [TPrA][M(dca)3] (M: Fe2+, Co2+ and Ni2+) hybrid inorganic-organic perovskite family","Journal of Materials Chemistry C","2016","4","","4889","4898","10.1039/C6TC00723F","","","0.71073","MoKα","","0.0529","0.0507","","","0.1389","0.1409","","","","","","1.198","","","","has coordinates","220097","2020-10-21","18:00:00",""
"7234783","11.39","0.005","11.39","0.005","17.301","0.005","90","0.005","90","0.005","90","0.005","2244.5","1.5","368","2","368","2","","","","","","","","3","I 4/m c m","-I 4 2c","140","","","","- C18 N10 Ni -","- C18 N10 Ni -","- C72 N40 Ni4 -","4","0.125","","J. M. Bermudez-Garcia; M. Sanchez-Andujar; S. Yanez-Vilar; S. Castro-Garcia; R. Artiaga; J. Lopez-Beceiro; L. Botana; A. Alegria; M. A. Senaris-Rodriguez","Multiple phase and dielectric transitions on a novel multi-sensitive [TPrA][M(dca)3] (M: Fe2+, Co2+ and Ni2+) hybrid inorganic-organic perovskite family","Journal of Materials Chemistry C","2016","4","","4889","4898","10.1039/C6TC00723F","","","0.71073","MoKα","","0.048","0.0402","","","0.1157","0.1282","","","","","","1.154","","","","has coordinates","220098","2020-10-21","18:00:00",""
"7234784","11.3524","0.0003","11.5038","0.0003","17.1916","0.0004","90","","90","","90","","2245.15","0.1","323","2","323","2","","","","","","","","4","I b a m","-I 2 2c","72","","","","- C18 H28 N10 Ni -","- C17.96 N10 Ni -","- C71.84 N40 Ni4 -","4","0.25","","J. M. Bermudez-Garcia; M. Sanchez-Andujar; S. Yanez-Vilar; S. Castro-Garcia; R. Artiaga; J. Lopez-Beceiro; L. Botana; A. Alegria; M. A. Senaris-Rodriguez","Multiple phase and dielectric transitions on a novel multi-sensitive [TPrA][M(dca)3] (M: Fe2+, Co2+ and Ni2+) hybrid inorganic-organic perovskite family","Journal of Materials Chemistry C","2016","4","","4889","4898","10.1039/C6TC00723F","","","0.71073","MoKα","","0.047","0.0382","","","0.1019","0.114","","","","","","1.091","","","","has coordinates","220099","2020-10-21","18:00:00",""
"7234785","17.1299","0.0005","22.9364","0.0006","22.6975","0.0006","90","","90","","90","","8917.8","0.4","300","2","300","2","","","","","","","","4","P n n a","-P 2a 2bc","52","","","","- C18 H28 N10 Ni -","- C18 H17.5 N10 Ni -","- C288 H280 N160 Ni16 -","16","2","","J. M. Bermudez-Garcia; M. Sanchez-Andujar; S. Yanez-Vilar; S. Castro-Garcia; R. Artiaga; J. Lopez-Beceiro; L. Botana; A. Alegria; M. A. Senaris-Rodriguez","Multiple phase and dielectric transitions on a novel multi-sensitive [TPrA][M(dca)3] (M: Fe2+, Co2+ and Ni2+) hybrid inorganic-organic perovskite family","Journal of Materials Chemistry C","2016","4","","4889","4898","10.1039/C6TC00723F","","","0.71073","MoKα","","0.1075","0.0671","","","0.1814","0.2257","","","","","","1.042","","","","has coordinates","220100","2020-10-21","18:00:00",""
"7234786","16.083","0.0004","16.083","0.0004","17.0185","0.0004","90","","90","","90","","4402.05","0.19","180","2","180","2","","","","","","","","4","P -4 21 c","P -4 2n","114","","","","- C18 H28 N10 Ni -","- C18 H14 N10 Ni -","- C144 H112 N80 Ni8 -","8","1","","J. M. Bermudez-Garcia; M. Sanchez-Andujar; S. Yanez-Vilar; S. Castro-Garcia; R. Artiaga; J. Lopez-Beceiro; L. Botana; A. Alegria; M. A. Senaris-Rodriguez","Multiple phase and dielectric transitions on a novel multi-sensitive [TPrA][M(dca)3] (M: Fe2+, Co2+ and Ni2+) hybrid inorganic-organic perovskite family","Journal of Materials Chemistry C","2016","4","","4889","4898","10.1039/C6TC00723F","","","0.71073","MoKα","","0.074","0.072","","","0.1724","0.1757","","","","","","1.262","","","","has coordinates","220101","2020-10-21","18:00:00",""
"7234787","11.498","0.0002","11.498","0.0002","17.498","0.0003","90","","90","","90","","2313.31","0.07","368","2","368","2","","","","","","","","3","I 4/m c m","-I 4 2c","140","","","","- C18 Fe N10 -","- C18 Fe N10 -","- C72 Fe4 N40 -","4","0.125","","J. M. Bermudez-Garcia; M. Sanchez-Andujar; S. Yanez-Vilar; S. Castro-Garcia; R. Artiaga; J. Lopez-Beceiro; L. Botana; A. Alegria; M. A. Senaris-Rodriguez","Multiple phase and dielectric transitions on a novel multi-sensitive [TPrA][M(dca)3] (M: Fe2+, Co2+ and Ni2+) hybrid inorganic-organic perovskite family","Journal of Materials Chemistry C","2016","4","","4889","4898","10.1039/C6TC00723F","","","0.71073","MoKα","","0.0574","0.0479","","","0.1508","0.1643","","","","","","1.137","","","","has coordinates","220102","2020-10-21","18:00:00",""
"7234788","11.5219","0.0004","11.5355","0.0004","17.3841","0.0005","90","","90","","90","","2310.54","0.13","323","2","323","2","","","","","","","","4","I b a m","-I 2 2c","72","","","","- C18 H28 Fe N10 -","- C18 Fe N10 -","- C72 Fe4 N40 -","4","0.25","","J. M. Bermudez-Garcia; M. Sanchez-Andujar; S. Yanez-Vilar; S. Castro-Garcia; R. Artiaga; J. Lopez-Beceiro; L. Botana; A. Alegria; M. A. Senaris-Rodriguez","Multiple phase and dielectric transitions on a novel multi-sensitive [TPrA][M(dca)3] (M: Fe2+, Co2+ and Ni2+) hybrid inorganic-organic perovskite family","Journal of Materials Chemistry C","2016","4","","4889","4898","10.1039/C6TC00723F","","","0.71073","MoKα","","0.0605","0.0445","","","0.127","0.1423","","","","","","1.037","","","","has coordinates","220103","2020-10-21","18:00:00",""
"7234789","16.1494","0.0006","16.1494","0.0006","17.2252","0.0005","90","","90","","90","","4492.4","0.3","200","2","200","2","","","","","","","","4","P -4 21 c","P -4 2n","114","","","","- C18 H28 Fe N10 -","- C18 H7 Fe N10 -","- C144 H56 Fe8 N80 -","8","1","","J. M. Bermudez-Garcia; M. Sanchez-Andujar; S. Yanez-Vilar; S. Castro-Garcia; R. Artiaga; J. Lopez-Beceiro; L. Botana; A. Alegria; M. A. Senaris-Rodriguez","Multiple phase and dielectric transitions on a novel multi-sensitive [TPrA][M(dca)3] (M: Fe2+, Co2+ and Ni2+) hybrid inorganic-organic perovskite family","Journal of Materials Chemistry C","2016","4","","4889","4898","10.1039/C6TC00723F","","","0.71073","MoKα","","0.0549","0.048","","","0.1315","0.137","","","","","","1.142","","","","has coordinates","220104","2020-10-21","18:00:00",""
"7234790","11.4551","0.0002","11.4551","0.0002","17.4294","0.0003","90","","90","","90","","2287.07","0.07","368","2","368","2","","","","","","","","3","I 4/m c m","-I 4 2c","140","","","","- C18 Co N10 -","- C18 Co N10 -","- C72 Co4 N40 -","4","0.125","","J. M. Bermudez-Garcia; M. Sanchez-Andujar; S. Yanez-Vilar; S. Castro-Garcia; R. Artiaga; J. Lopez-Beceiro; L. Botana; A. Alegria; M. A. Senaris-Rodriguez","Multiple phase and dielectric transitions on a novel multi-sensitive [TPrA][M(dca)3] (M: Fe2+, Co2+ and Ni2+) hybrid inorganic-organic perovskite family","Journal of Materials Chemistry C","2016","4","","4889","4898","10.1039/C6TC00723F","","","0.71073","MoKα","","0.0602","0.0505","","","0.1449","0.1591","","","","","","1.105","","","","has coordinates","220105","2020-10-21","18:00:00",""
"7234819","22.126","0.005","11.533","0.002","18.308","0.004","90","","109.595","0.004","90","","4401.3","1.6","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","ST_tBu","","- C50 H50 N6 Si -","- C50 H50 N6 Si -","- C200 H200 N24 Si4 -","4","0.5","","Seungjun Yi; Woo-Ri Bae; Jin-Hyoung Kim; Ah-Rang Lee; Woo-Young Kim; Won-Sik Han; Ho-Jin Son; Sang Ook Kang","Electronic alteration of end-on phenyl groups of bis-triazolyl-silanes: electron-transport materials for blue phosphorescent OLEDs","Journal of Materials Chemistry C","2016","4","","4978","4987","10.1039/C6TC00017G","","","0.71073","MoKα","","0.1202","0.0559","","","0.1352","0.1807","","","","","","1.016","","","","has coordinates","220355","2020-10-21","18:00:00",""
"7234820","10.1268","0.0007","32.36","0.003","8.71","0.0006","90","","108.832","0.004","90","","2701.5","0.4","173","2","173","2","","","","","","","","4","C 1 c 1","C -2yc","9","","1,3-bis(Dicyanomethylene)-2-(4-(dimethylamino)benzylidene) -2,3-dihydro-1H-indene-5-carboxylic acetic anhydride benzene solvate","","- C33 H23 N5 O3 -","- C33 H23 N5 O3 -","- C132 H92 N20 O12 -","4","1","","Kaspars Traskovskis; Valdis Kokars; Andrejs Tokmakovs; Igors Mihailovs; Edgars Nitiss; Marina Petrova; Sergey Belyakov; Martins Rutkis","Stereoselective synthesis and properties of 1,3-bis(dicyanomethylidene)indane-5-carboxylic acid acceptor fragment containing nonlinear optical chromophores","Journal of Materials Chemistry C","2016","4","","5019","5030","10.1039/C6TC00203J","","","0.71073","MoKα","","0.1657","0.0864","","","0.1782","0.2108","","","","","","1.069","","","","has coordinates","220356","2020-10-21","18:00:00",""
"7234821","22.1451","0.0008","16.0302","0.0006","10.211","0.0004","90","","100.04","0.004","90","","3569.3","0.2","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C15 H15 O12 Tb -","- C15 H15 O12 Tb -","- C120 H120 O96 Tb8 -","8","1","","E. Bartolome; J. Bartolome; A. Arauzo; J. Luzon; L. Badia; R. Cases; F. Luis; S. Melnic; D. Prodius; S. Shova; C. Turta","Antiferromagnetic single-chain magnet slow relaxation in the {Tb(alpha-fur)3}n polymer with non-Kramers ions","Journal of Materials Chemistry C","2016","4","","5038","5050","10.1039/C6TC00919K","","","0.71073","MoKα","","0.0489","0.0396","","","0.0907","0.0987","","","","","","1.074","","","","has coordinates,has disorder","220357","2020-10-21","18:00:00",""
"7234822","16.505","0.003","16.849","0.003","23.262","0.005","90","","95.08","0.03","90","","6444","2","293","2","293","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C134 H73 B2 F48 Ir2 N10 O2 -","- C134 H73 B2 F48 Ir2 N10 O2 -","- C268 H146 B4 F96 Ir4 N20 O4 -","2","1","","Dongxin Ma; Lian Duan; Yong Qiu","Orange-red- and white-emitting diodes fabricated by vacuum evaporation deposition of sublimable cationic iridium complexes","Journal of Materials Chemistry C","2016","4","","5051","5058","10.1039/C6TC00738D","","","0.71073","MoKα","","0.0519","0.0629","","","0.1059","0.1268","","","","","","1.067","","","","has coordinates","220358","2020-10-21","18:00:00",""
"7234823","8.07","0.05","11.393","0.007","12.568","0.007","106.171","0.01","106.915","0.008","99.301","0.003","1024","6","173.15","","173.15","","","","","","","","","4","P -1","-P 1","2","","","","- C46 H52 S2 Si2 -","- C46 H52 S2 Si2 -","- C46 H52 S2 Si2 -","1","0.5","","Longbin Ren; Chunming Liu; Zhaohui Wang; Xiaozhang Zhu","Isomeric indacenedibenzothiophenes: synthesis, photoelectric properties and ambipolar semiconductivity","Journal of Materials Chemistry C","2016","4","","5202","5206","10.1039/C6TC01808D","","","0.71073","MoKα","","0.1614","0.1151","","","0.1893","0.2133","","","","","","1.15","","","","has coordinates","220359","2020-10-21","18:00:00",""
"7234824","18.517","0.003","18.517","0.003","7.2125","0.0014","90","","90","","90","","2473","0.7","153","2","153","2","","","","","","","","4","I -4","I -4","82","","","","- C32 H21 N6 O0.5 -","- C32 H20 N6 O0.5 -","- C128 H80 N24 O2 -","4","0.5","","Jianghong Tan; Bo Wang; Zhi Huang; Xialei Lv; Wei Yi; Shaoqing Zhuang; Lei Wang","Design, synthesis, characterization and application of a novel electron-deficient moiety 1,5-diazacarbazole in high triplet energy host materials","Journal of Materials Chemistry C","2016","4","","5222","5230","10.1039/C6TC01266C","","","0.71073","MoKα","","0.0772","0.0542","","","0.1309","0.142","","","","","","1.02","","","","has coordinates","220360","2020-10-21","18:00:00",""
"7234825","14.646","0.003","16.035","0.003","12.956","0.003","90","","93.24","0.03","90","","3037.8","1.1","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H13 N O S -","- C19 H13 N O S -","- C152 H104 N8 O8 S8 -","8","2","","Pengchong Xue; Jipeng Ding; Peng Chen; Panpan Wang; Boqi Yao; Jiabao Sun; Jingbo Sun; Ran Lu","Mechanical force-induced luminescence enhancement and chromism of a nonplanar D-A phenothiazine derivative","Journal of Materials Chemistry C","2016","4","","5275","5280","10.1039/C6TC01193D","","","0.71073","MoKα","","0.0583","0.0425","","","0.1061","0.1157","","","","","","1.059","","","","has coordinates","220361","2020-10-21","18:00:00",""
"7234826","9.4098","0.001","10.0034","0.001","13.9777","0.0014","76.368","0.003","84.054","0.003","66.078","0.003","1168.8","0.2","288","2","288","2","","","","","","","","5","P -1","-P 1","2","CA-V(IV)","ammonium citrato-oxovanadate (IV)","","- C12 H28 N4 O18 V2 -","- C12 H28 N4 O18 V2 -","- C24 H56 N8 O36 V4 -","2","1","","Jing Zhang; Hong Tian; Liang Hao; Xin Jin; Chunming Yang; Jing Wang; Xinmin Cui; Conghui Wang; Ce Zhang; Cong Zhang; Yao Xu","Thermochromic VO2 films from ammonium citrato-oxovanadate(iv) with excellent optical and phase transition properties","Journal of Materials Chemistry C","2016","4","","5281","5288","10.1039/C6TC00315J","","","0.71073","MoKα","","0.0395","0.0344","","","0.0938","0.0974","","","","","","1.061","","","","has coordinates","220362","2020-10-21","18:00:00",""
"7234827","9.8811","0.0006","21.9613","0.0011","11.8955","0.0007","90","","106.396","0.007","90","","2476.4","0.3","93","2","93","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C27 H19 B F2 I2 N2 -","- C27 H19 B F2 I2 N2 -","- C108 H76 B4 F8 I8 N8 -","4","1","","Madoka Yamaguchi; Shunichiro Ito; Amane Hirose; Kazuo Tanaka; Yoshiki Chujo","Modulation of sensitivity to mechanical stimulus in mechanofluorochromic properties by altering substituent positions in solid-state emissive diiodo boron diiminates","Journal of Materials Chemistry C","2016","4","","5314","5319","10.1039/C6TC01111J","","","0.71075","MoKα","","0.0402","0.0347","","","0.1108","0.1159","","","","","","0.923","","","","has coordinates","220363","2020-10-21","18:00:00",""
"7234828","10.1509","0.0019","10.2761","0.0019","13.098","0.002","73.482","0.005","71.61","0.005","76.301","0.005","1226.6","0.4","93","2","93","2","","","","","","","","7","P -1","-P 1","2","","","","- C27 H19 B F2 I2 N2 O0 -","- C27 H19 B F2 I2 N2 -","- C54 H38 B2 F4 I4 N4 -","2","1","","Madoka Yamaguchi; Shunichiro Ito; Amane Hirose; Kazuo Tanaka; Yoshiki Chujo","Modulation of sensitivity to mechanical stimulus in mechanofluorochromic properties by altering substituent positions in solid-state emissive diiodo boron diiminates","Journal of Materials Chemistry C","2016","4","","5314","5319","10.1039/C6TC01111J","","","0.71075","MoKα","","0.0549","0.0441","","","0.1352","0.1506","","","","","","1.031","","","","has coordinates","220363","2020-10-21","18:00:00",""
"7234829","9.714","0.002","10.007","0.002","13.415","0.003","104.363","0.007","99.942","0.007","99.426","0.007","1214.8","0.4","93","2","93","2","","","","","","","","7","P -1","-P 1","2","","","","- C27 H19 B F2 I2 N2 O0 -","- C27 H19 B F2 I2 N2 -","- C54 H38 B2 F4 I4 N4 -","2","1","","Madoka Yamaguchi; Shunichiro Ito; Amane Hirose; Kazuo Tanaka; Yoshiki Chujo","Modulation of sensitivity to mechanical stimulus in mechanofluorochromic properties by altering substituent positions in solid-state emissive diiodo boron diiminates","Journal of Materials Chemistry C","2016","4","","5314","5319","10.1039/C6TC01111J","","","0.71075","MoKα","","0.1048","0.081","","","0.2002","0.2198","","","","","","1.187","","","","has coordinates","220363","2020-10-21","18:00:00",""
"7234830","7.4834","0.0008","20.9617","0.0019","15.6517","0.0015","90","","94.901","0.007","90","","2446.2","0.4","296","2","296","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C27 H19 B F2 I2 N2 O0 -","- C27 H19 B F2 I2 N2 -","- C108 H76 B4 F8 I8 N8 -","4","1","","Madoka Yamaguchi; Shunichiro Ito; Amane Hirose; Kazuo Tanaka; Yoshiki Chujo","Modulation of sensitivity to mechanical stimulus in mechanofluorochromic properties by altering substituent positions in solid-state emissive diiodo boron diiminates","Journal of Materials Chemistry C","2016","4","","5314","5319","10.1039/C6TC01111J","","","0.71075","MoKα","","0.0597","0.0477","","","0.1377","0.1496","","","","","","1.003","","","","has coordinates","220363","2020-10-21","18:00:00",""
"7234831","9.407","0.002","26.048","0.007","24.745","0.006","90","","94.94","0.003","90","","6041","3","173.15","","173.15","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","4,4?-((2?,5?-bis((4-(dimesitylboryl)phenyl)ethynyl)-[1,1?:4?,1?-terphenyl] -4,4?-diyl)bis(1,2-diphenylethene-2,1-diyl))bis(N,N-diphenylaniline)","","- C134 H110 B2 N2 -","- C134 H110 B2 N2 -","- C268 H220 B4 N4 -","2","0.5","","Shuhong Li; Yanli Shang; Lifang Wang; Ryan T. K. Kwok; Ben Zhong Tang","Donor-acceptor pi-conjugated aggregation-induced emission molecules for reversible nanometer-scale data storage","Journal of Materials Chemistry C","2016","4","","5363","5369","10.1039/C6TC00803H","","","0.71073","MoKα","","0.2101","0.1681","","","0.3635","0.3789","","","","","","1.822","","","","has coordinates,has disorder","220364","2020-10-21","18:00:00",""
"7234832","22.277","0.005","13.12","0.003","52.44","0.012","90","","90","","90","","15327","6","296","2","296.15","","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C32 H86 Dy2 N6 O100 P2 W22 -","- C32 H76 Dy2 N6 O100 P2 W22 -","- C128 H304 Dy8 N24 O400 P8 W88 -","4","1","","Pengtao Ma; Feng Hu; Rong Wan; Yu Huo; Dongdi Zhang; Jingyang Niu; Jingping Wang","Magnetic double-tartaric bridging mono-lanthanide substituted phosphotungstates with photochromic and switchable luminescence properties","Journal of Materials Chemistry C","2016","4","","5424","5433","10.1039/C6TC00960C","","","0.71073","MoKα","","0.1056","0.0625","","","0.1367","0.1602","","","","","","1.026","","","","has coordinates,has disorder","220365","2020-10-21","18:00:00",""
"7234833","22.1047","0.0014","13.0665","0.0009","52.158","0.004","90","","90","","90","","15064.9","1.8","296","2","296.15","","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C32 H86 Er2 N6 O100 P2 W22 -","- C32 H76 Er2 N6 O100 P2 W22 -","- C128 H304 Er8 N24 O400 P8 W88 -","4","1","","Pengtao Ma; Feng Hu; Rong Wan; Yu Huo; Dongdi Zhang; Jingyang Niu; Jingping Wang","Magnetic double-tartaric bridging mono-lanthanide substituted phosphotungstates with photochromic and switchable luminescence properties","Journal of Materials Chemistry C","2016","4","","5424","5433","10.1039/C6TC00960C","","","0.71073","MoKα","","0.1021","0.0591","","","0.1245","0.1454","","","","","","1.032","","","","has coordinates,has disorder","220365","2020-10-21","18:00:00",""
"7234834","22.1006","0.0013","13.0302","0.0007","51.964","0.003","90","","90","","90","","14964.3","1.5","296","2","296.15","","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C32 H86 N6 O100 P2 W22 Yb2 -","- C32 H76 N6 O100 P2 W22 Yb2 -","- C128 H304 N24 O400 P8 W88 Yb8 -","4","1","","Pengtao Ma; Feng Hu; Rong Wan; Yu Huo; Dongdi Zhang; Jingyang Niu; Jingping Wang","Magnetic double-tartaric bridging mono-lanthanide substituted phosphotungstates with photochromic and switchable luminescence properties","Journal of Materials Chemistry C","2016","4","","5424","5433","10.1039/C6TC00960C","","","0.71073","MoKα","","0.1148","0.0648","","","0.137","0.1618","","","","","","1.017","","","","has coordinates,has disorder","220365","2020-10-21","18:00:00",""
"7234835","29.5811","0.0002","29.5811","0.0002","5.99453","0.00005","90","","90","","90","","5245.46","0.07","298","","298","","","","","","","","","6","I 41 m d","I 4bw -2","109","Ga_acetone","","","- C28.5 H24 Cl2 Ga N2 O0.5 -","- C28.5 H24 Cl2 Ga N2 O0.5 -","- C228 H192 Cl16 Ga8 N16 O4 -","8","0.5","","Shunichiro Ito; Amane Hirose; Madoka Yamaguchi; Kazuo Tanaka; Yoshiki Chujo","Size-discrimination of volatile organic compounds utilizing gallium diiminate by luminescent chromism of crystallization-induced emission via encapsulation-triggered crystal-crystal transition","Journal of Materials Chemistry C","2016","4","","5564","5571","10.1039/C6TC01819J","powder diffraction","","1.54059","CuKα~1~","","","","","","","","","","1.0864","","","","","","","has coordinates","220366","2020-10-21","18:00:00",""
"7234836","29.549","0.004","29.549","0.004","6.0559","0.0008","90","","90","","90","","5287.7","1.2","298","","298","","","","","","","","","5","I 41 m d","I 4bw -2","109","Ga_benzene","","","- C30 H24 Cl2 Ga N2 -","- C30 H23.75 Cl2 Ga N2 -","- C240 H190 Cl16 Ga8 N16 -","8","0.5","","Shunichiro Ito; Amane Hirose; Madoka Yamaguchi; Kazuo Tanaka; Yoshiki Chujo","Size-discrimination of volatile organic compounds utilizing gallium diiminate by luminescent chromism of crystallization-induced emission via encapsulation-triggered crystal-crystal transition","Journal of Materials Chemistry C","2016","4","","5564","5571","10.1039/C6TC01819J","powder diffraction","","1.54059","CuKα~1~","","","","","","","","","","0.9592","","","","","","","has coordinates","220366","2020-10-21","18:00:00",""
"7234837","29.526","0.005","29.526","0.005","6.0428","0.0012","90","","90","","90","","5268","1.6","298","","298","","","","","","","","","5","I 41 m d","I 4bw -2","109","Ga_pyridine","","","- C29.5 H23.5 Cl2 Ga N2.5 -","- C29.25 H23.5 Cl2 Ga N2.5 -","- C234 H188 Cl16 Ga8 N20 -","8","0.5","","Shunichiro Ito; Amane Hirose; Madoka Yamaguchi; Kazuo Tanaka; Yoshiki Chujo","Size-discrimination of volatile organic compounds utilizing gallium diiminate by luminescent chromism of crystallization-induced emission via encapsulation-triggered crystal-crystal transition","Journal of Materials Chemistry C","2016","4","","5564","5571","10.1039/C6TC01819J","powder diffraction","","1.54059","CuKα~1~","","","","","","","","","","0.9397","","","","","","","has coordinates","220366","2020-10-21","18:00:00",""
"7234838","29.637","0.004","29.637","0.004","5.9954","0.0009","90","","90","","90","","5266.1","1.3","298","","298","","","","","","","","","6","I 41 m d","I 4bw -2","109","Ga_dioxane","","","- C29 H25 Cl2 Ga N2 O -","- C28.75 H25 Cl2 Ga N2 O -","- C230 H200 Cl16 Ga8 N16 O8 -","8","0.5","","Shunichiro Ito; Amane Hirose; Madoka Yamaguchi; Kazuo Tanaka; Yoshiki Chujo","Size-discrimination of volatile organic compounds utilizing gallium diiminate by luminescent chromism of crystallization-induced emission via encapsulation-triggered crystal-crystal transition","Journal of Materials Chemistry C","2016","4","","5564","5571","10.1039/C6TC01819J","powder diffraction","","1.54059","CuKα~1~","","","","","","","","","","0.9806","","","","","","","has coordinates","220366","2020-10-21","18:00:00",""
"7234839","29.6117","0.0003","29.6117","0.0003","6.01011","0.0001","90","","90","","90","","5269.98","0.12","298","","298","","","","","","","","","6","I 41 m d","I 4bw -2","109","Ga_THF","","","- C29 H25 Cl2 Ga N2 O0.5 -","- C29 H25 Cl2 Ga N2 O0.5 -","- C232 H200 Cl16 Ga8 N16 O4 -","8","0.5","","Shunichiro Ito; Amane Hirose; Madoka Yamaguchi; Kazuo Tanaka; Yoshiki Chujo","Size-discrimination of volatile organic compounds utilizing gallium diiminate by luminescent chromism of crystallization-induced emission via encapsulation-triggered crystal-crystal transition","Journal of Materials Chemistry C","2016","4","","5564","5571","10.1039/C6TC01819J","powder diffraction","","1.54059","CuKα","","","","","","","","","","1.1934","","","","","","","has coordinates","220366","2020-10-21","18:00:00",""
"7234840","11.299","0.0003","12.8774","0.0003","17.2581","0.0004","90","","105.688","0.0005","90","","2417.54","0.1","298","","298","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","Ga_pristine","","","- C27 H21 Cl2 Ga N2 -","- C27 H21 Cl2 Ga N2 -","- C108 H84 Cl8 Ga4 N8 -","4","1","","Shunichiro Ito; Amane Hirose; Madoka Yamaguchi; Kazuo Tanaka; Yoshiki Chujo","Size-discrimination of volatile organic compounds utilizing gallium diiminate by luminescent chromism of crystallization-induced emission via encapsulation-triggered crystal-crystal transition","Journal of Materials Chemistry C","2016","4","","5564","5571","10.1039/C6TC01819J","powder diffraction","","1.54059","CuKα~1~","","","","","","","","","","1.4272","","","","","","","has coordinates","220366","2020-10-21","18:00:00",""
"7234841","29.5356","0.0007","29.5356","0.0007","5.99455","0.00014","90","","90","","90","","5229.4","0.2","298","","298","","","","","","","","","6","I 41 m d","I 4bw -2","109","Ga_furan","","","- C29 H23 Cl2 Ga N2 O0.5 -","- C28.75 H23 Cl2 Ga N2 O0.5 -","- C230 H184 Cl16 Ga8 N16 O4 -","8","0.5","","Shunichiro Ito; Amane Hirose; Madoka Yamaguchi; Kazuo Tanaka; Yoshiki Chujo","Size-discrimination of volatile organic compounds utilizing gallium diiminate by luminescent chromism of crystallization-induced emission via encapsulation-triggered crystal-crystal transition","Journal of Materials Chemistry C","2016","4","","5564","5571","10.1039/C6TC01819J","powder diffraction","","1.54059","CuKα~1~","","","","","","","","","","1.0409","","","","","","","has coordinates","220366","2020-10-21","18:00:00",""
"7234860","36.085","0.007","17.076","0.003","17.762","0.004","90","","110.34","0.03","90","","10262","4","153","2","153","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C56 H31 B F20 Ir N5 O2 -","- C56 H31 B F20 Ir N5 O2 -","- C448 H248 B8 F160 Ir8 N40 O16 -","8","1","","Dongxin Ma; Chen Zhang; Yong Qiu; Lian Duan","Highly efficient blue-green organic light-emitting diodes achieved by controlling the anionic migration of cationic iridium(iii) complexes","Journal of Materials Chemistry C","2016","4","","5731","5738","10.1039/C6TC01302C","","","0.71073","MoKα","","0.0501","0.0477","","","0.1102","0.1116","","","","","","1.197","","","","has coordinates,has disorder","220537","2020-10-21","18:00:00",""
"7234861","10.625","0.002","15.478","0.003","32.301","0.007","90","","90","","90","","5312","1.8","","","153","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C30 H23 B F3.569 Ir N5 -","- C30 H23 B F3.58 Ir N5 -","- C240 H184 B8 F28.64 Ir8 N40 -","8","1","","Dongxin Ma; Chen Zhang; Yong Qiu; Lian Duan","Highly efficient blue-green organic light-emitting diodes achieved by controlling the anionic migration of cationic iridium(iii) complexes","Journal of Materials Chemistry C","2016","4","","5731","5738","10.1039/C6TC01302C","","","0.71073","MoKα","","0.1104","0.0898","","","0.2274","0.251","","","","","","1.4862","","","","has coordinates,has disorder","220537","2020-10-21","18:00:00",""
"7234862","9.2347","0.001","15.8096","0.0017","12.127","0.001","90","","113.975","0.006","90","","1617.8","0.3","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H21 N O2 -","- C20 H21 N O2 -","- C80 H84 N4 O8 -","4","1","","Yanze Liu; Yunxiang Lei; Miaochang Liu; Fei Li; Hongping Xiao; Jiuxi Chen; Xiaobo Huang; Wenxia Gao; Huayue Wu; Yixiang Cheng","The effect of N-alkyl chain length on the photophysical properties of indene-1,3-dionemethylene-1,4-dihydropyridine derivatives","Journal of Materials Chemistry C","2016","4","","5970","5980","10.1039/C6TC01877G","","","0.71073","MoKα","","0.0393","0.0354","","","0.1067","0.1104","","","","","","1.034","","","","has coordinates","220538","2020-10-21","18:00:00",""
"7234863","7.9388","0.0015","8.0318","0.0015","17.599","0.003","82.094","0.003","88.252","0.003","65.864","0.003","1013.9","0.3","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","","","- C24 H29 N O2 -","- C24 H29 N O2 -","- C48 H58 N2 O4 -","2","1","","Yanze Liu; Yunxiang Lei; Miaochang Liu; Fei Li; Hongping Xiao; Jiuxi Chen; Xiaobo Huang; Wenxia Gao; Huayue Wu; Yixiang Cheng","The effect of N-alkyl chain length on the photophysical properties of indene-1,3-dionemethylene-1,4-dihydropyridine derivatives","Journal of Materials Chemistry C","2016","4","","5970","5980","10.1039/C6TC01877G","","","0.71073","MoKα","","0.0778","0.0719","","","0.2329","0.245","","","","","","1.096","","","","has coordinates","220538","2020-10-21","18:00:00",""
"7234864","8.9842","0.0017","25.762","0.004","15.533","0.002","90","","124.28","0.007","90","","2970.6","0.9","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C69 H62 N2 O5 -","- C69 H62 N2 O5 -","- C138 H124 N4 O10 -","2","0.5","","Yanze Liu; Yunxiang Lei; Miaochang Liu; Fei Li; Hongping Xiao; Jiuxi Chen; Xiaobo Huang; Wenxia Gao; Huayue Wu; Yixiang Cheng","The effect of N-alkyl chain length on the photophysical properties of indene-1,3-dionemethylene-1,4-dihydropyridine derivatives","Journal of Materials Chemistry C","2016","4","","5970","5980","10.1039/C6TC01877G","","","0.71073","MoKα","","0.1266","0.0787","","","0.2046","0.2459","","","","","","1.004","","","","has coordinates","220538","2020-10-21","18:00:00",""
"7234865","8.5014","0.0004","12.7359","0.0006","16.5492","0.0008","109.704","0.002","97.327","0.002","95.42","0.002","1654.91","0.14","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C37 H35 Cl3 N O3 -","- C37 H35 Cl3 N O3 -","- C74 H70 Cl6 N2 O6 -","2","1","","Yanze Liu; Yunxiang Lei; Miaochang Liu; Fei Li; Hongping Xiao; Jiuxi Chen; Xiaobo Huang; Wenxia Gao; Huayue Wu; Yixiang Cheng","The effect of N-alkyl chain length on the photophysical properties of indene-1,3-dionemethylene-1,4-dihydropyridine derivatives","Journal of Materials Chemistry C","2016","4","","5970","5980","10.1039/C6TC01877G","","","1.54178","CuKα","","0.1711","0.0869","","","0.226","0.2588","","","","","","0.992","","","","has coordinates","220538","2020-10-21","18:00:00",""
"7234866","8.286","0.003","10.555","0.004","7.814","0.004","90","","95.42","0.03","90","","680.3","0.5","298","","298","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","DMeO-BTBT","","- C16 H12 O2 S2 -","- C16 H12 O2 S2 -","- C32 H24 O4 S4 -","2","0.5","","Toshiki Higashino; Masaki Dogishi; Tomofumi Kadoya; Ryonosuke Sato; Tadashi Kawamoto; Takehiko Mori","Air-stable n-channel organic field-effect transistors based on charge-transfer complexes including dimethoxybenzothienobenzothiophene and tetracyanoquinodimethane derivatives","Journal of Materials Chemistry C","2016","4","","5981","5987","10.1039/C6TC01532H","","","0.71069","MoKα","","","0.0327","","","","0.0947","","","","","","1.018","","","","has coordinates","220539","2020-10-21","18:00:00",""
"7234867","8.693","0.003","9.371","0.004","7.302","0.004","93.55","0.04","97.81","0.04","89.44","0.03","588.2","0.5","298","","298","","","","","","","","","5","P -1","-P 1","2","","(DMeO-BTBT)(TCNQ)","","- C28 H16 N4 O2 S2 -","- C28 H16 N4 O2 S2 -","- C28 H16 N4 O2 S2 -","1","0.5","","Toshiki Higashino; Masaki Dogishi; Tomofumi Kadoya; Ryonosuke Sato; Tadashi Kawamoto; Takehiko Mori","Air-stable n-channel organic field-effect transistors based on charge-transfer complexes including dimethoxybenzothienobenzothiophene and tetracyanoquinodimethane derivatives","Journal of Materials Chemistry C","2016","4","","5981","5987","10.1039/C6TC01532H","","","0.71069","MoKα","","","0.0396","","","","0.1055","","","","","","1.03","","","","has coordinates","220539","2020-10-21","18:00:00",""
"7234868","7.777","0.002","11.695","0.004","7.117","0.003","94.34","0.03","105.31","0.03","72.63","0.02","595.9","0.4","298","","298","","","","","","","","","6","P -1","-P 1","2","","(DMeO-BTBT)(F2-TCNQ)","","- C28 H14 F2 N4 O2 S2 -","- C28 H14 F2 N4 O2 S2 -","- C28 H14 F2 N4 O2 S2 -","1","0.5","","Toshiki Higashino; Masaki Dogishi; Tomofumi Kadoya; Ryonosuke Sato; Tadashi Kawamoto; Takehiko Mori","Air-stable n-channel organic field-effect transistors based on charge-transfer complexes including dimethoxybenzothienobenzothiophene and tetracyanoquinodimethane derivatives","Journal of Materials Chemistry C","2016","4","","5981","5987","10.1039/C6TC01532H","","","0.71069","MoKα","","","0.0568","","","","0.1597","","","","","","0.955","","","","has coordinates,has disorder","220539","2020-10-21","18:00:00",""
"7234869","7.971","0.003","11.72","0.006","7.066","0.003","94.55","0.04","105.54","0.03","71.28","0.03","602.3","0.5","298","","298","","","","","","","","","6","P -1","-P 1","2","","(DMeO-BTBT)(F4-TCNQ)","","- C28 H12 F4 N4 O2 S2 -","- C28 H12 F4 N4 O2 S2 -","- C28 H12 F4 N4 O2 S2 -","1","0.5","","Toshiki Higashino; Masaki Dogishi; Tomofumi Kadoya; Ryonosuke Sato; Tadashi Kawamoto; Takehiko Mori","Air-stable n-channel organic field-effect transistors based on charge-transfer complexes including dimethoxybenzothienobenzothiophene and tetracyanoquinodimethane derivatives","Journal of Materials Chemistry C","2016","4","","5981","5987","10.1039/C6TC01532H","","","0.71069","MoKα","","","0.0964","","","","0.3494","","","","","","1.311","","","","has coordinates","220539","2020-10-21","18:00:00",""
"7234870","12.9601","0.0006","16.5337","0.0008","18.6183","0.001","90","","105.737","0.005","90","","3840","0.3","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C46 H0.25 N6 O2 Pt2 S2 -","- C46 H30 N6 O2 Pt2 S2 -","- C184 H120 N24 O8 Pt8 S8 -","4","1","","Wenjing Xiong; Fanyuan Meng; Hua Tan; Yafei Wang; Pu Wang; Youming Zhang; Qiang Tao; Shijian Su; Weiguo Zhu","Dinuclear platinum complexes containing aryl-isoquinoline and oxadiazole-thiol with an efficiency of over 8.8%: in-depth investigation of the relationship between their molecular structure and near-infrared electroluminescent properties in PLEDs","Journal of Materials Chemistry C","2016","4","","6007","6015","10.1039/C6TC00825A","","x-ray","0.71073","MoKα","","0.1136","0.0733","","","0.1669","0.2022","","","","","","0.994","","","","has coordinates","220540","2020-10-21","18:00:00",""
"7234871","23.492","0.0015","9.2655","0.0005","22.1072","0.0012","90","","92.766","0.004","90","","4806.4","0.5","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C31 H23 N O S2 -","- C31 H23 N O S2 -","- C248 H184 N8 O8 S16 -","8","1","","G. Turkoglu; M. E. Cinar; A. Buyruk; E. Tekin; S. P. Mucur; K. Kaya; T. Ozturk","Novel organoboron compounds derived from thieno[3,2-b]thiophene and triphenylamine units for OLED devices","Journal of Materials Chemistry C","2016","4","","6045","6053","10.1039/C6TC01285J","","","0.71073","MoKα","","0.036","0.0323","","","0.084","0.0878","","","","","","1.026","","","","has coordinates","220541","2020-10-21","18:00:00",""
"7234872","37.895","0.011","11.54","0.003","16.393","0.005","90","","102.316","0.009","90","","7004","3","100","2","100","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C41 H36 B N O2 S2 -","- C41 H36 B N O2 S2 -","- C328 H288 B8 N8 O16 S16 -","8","2","","G. Turkoglu; M. E. Cinar; A. Buyruk; E. Tekin; S. P. Mucur; K. Kaya; T. Ozturk","Novel organoboron compounds derived from thieno[3,2-b]thiophene and triphenylamine units for OLED devices","Journal of Materials Chemistry C","2016","4","","6045","6053","10.1039/C6TC01285J","","","0.71073","MoKα","","0.041","0.0354","","","0.0792","0.0817","","","","","","0.999","","","","has coordinates","220541","2020-10-21","18:00:00",""
"7234873","12.7147","0.0006","13.4286","0.0006","13.6609","0.0006","118.723","0.002","97.87","0.002","94.81","0.002","1995.91","0.16","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C49 H44 B N O S2 -","- C49 H44 B N O S2 -","- C98 H88 B2 N2 O2 S4 -","2","1","","G. Turkoglu; M. E. Cinar; A. Buyruk; E. Tekin; S. P. Mucur; K. Kaya; T. Ozturk","Novel organoboron compounds derived from thieno[3,2-b]thiophene and triphenylamine units for OLED devices","Journal of Materials Chemistry C","2016","4","","6045","6053","10.1039/C6TC01285J","","","0.71073","MoKα","","0.0524","0.0407","","","0.1062","0.1158","","","","","","1.001","","","","has coordinates","220541","2020-10-21","18:00:00",""
"7234874","13.445","0.003","3.727","0.0007","9.646","0.0019","90","","106.44","0.03","90","","463.6","0.18","293","2","293","2","","","","","","","","2","C 1 2/m 1","-C 2y","12","","Tri gadolinium di nickel","","- Gd3 Ni2 -","- Gd3 Ni2 -","- Gd12 Ni8 -","4","0.5","","Alessia Provino; Volodymyr Smetana; Durga Paudyal; Karl A. Gschneidner, Jr.; Anja-Verena Mudring; Vitalij K. Pecharsky; Pietro Manfrinetti; Marina Putti","Gd3Ni2 and Gd3CoxNi2-x: magnetism and unexpected Co/Ni crystallographic ordering","Journal of Materials Chemistry C","2016","4","","6078","6089","10.1039/C6TC01035K","","","0.71073","MoKα","","0.0619","0.0379","","","0.0633","0.0685","","","","","","1.037","","","","has coordinates","220542","2020-10-21","18:00:00",""
"7234875","13.407","0.002","3.8118","0.0007","9.5351","0.0019","90","","109.079","0.01","90","","460.52","0.15","296","2","296","2","","","","","","","","3","C 1 2/m 1","-C 2y","12","","Tri gadolinium cobalt nickel","","- Co Gd3 Ni -","- Co Gd3 Ni -","- Co4 Gd12 Ni4 -","4","0.5","","Alessia Provino; Volodymyr Smetana; Durga Paudyal; Karl A. Gschneidner, Jr.; Anja-Verena Mudring; Vitalij K. Pecharsky; Pietro Manfrinetti; Marina Putti","Gd3Ni2 and Gd3CoxNi2-x: magnetism and unexpected Co/Ni crystallographic ordering","Journal of Materials Chemistry C","2016","4","","6078","6089","10.1039/C6TC01035K","","","0.71073","MoKα","","0.0389","0.0315","","","0.0755","0.1096","","","","","","1.234","","","","has coordinates","220542","2020-10-21","18:00:00",""
"7234876","12.7978","0.0001","14.9854","0.0003","16.8833","0.0003","84.385","0.008","74.318","0.008","70.229","0.007","2933.52","0.19","293","2","293","2","","","","","","","","9","P -1","-P 1","2","","","","- C107 H88 Au2 Cl8 N2 O8 P6 Pt S2 -","- C104 H82 Au2 Cl2 N2 O8 P6 Pt S2 -","- C104 H82 Au2 Cl2 N2 O8 P6 Pt S2 -","1","0.5","","Xian-Chong Zeng; Jin-Yun Wang; Liang-Jin Xu; Hui-Min Wen; Zhong-Ning Chen","Solution-processed OLEDs based on phosphorescent PtAu2 complexes with phenothiazine-functionalized acetylides","Journal of Materials Chemistry C","2016","4","","6096","6103","10.1039/C6TC01539E","","","0.71073","MoKα","","0.0574","0.0489","","","0.144","0.1482","","","","","","0.995","","","","has coordinates","220543","2020-10-21","18:00:00",""
"7234877","10.0671","0.0005","10.865","0.0005","19.0097","0.0012","101.792","0.003","101.965","0.003","104.347","0.002","1897.56","0.18","295","","295.15","","","","","","","","","5","P -1","-P 1","2","","","","- C72 H68 Dy2 N16 O22 -","- C72 H68 Dy2 N16 O22 -","- C72 H68 Dy2 N16 O22 -","1","0.5","","Soumyabrata Roy; Oinam Bijeta Chanu; Sumanta Sarkar; Sebastian C. Peter","Selective colorimetric detection of Cu2+ by lanthanide based hybrid complexes associated with a single crystal growth mediated transformation","Journal of Materials Chemistry C","2016","4","","6256","6269","10.1039/C6TC00785F","","","0.71073","MoKα","","0.1171","0.0653","","","0.1615","0.2162","","","","","","1.044","","","","has coordinates","220544","2020-10-21","18:00:00",""
"7234878","8.3654","0.0011","9.0861","0.0013","17.047","0.003","76.876","0.006","89.866","0.006","67.226","0.005","1158.2","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C32 H44 N4 Nd2 O24 -","- C32 H44 N4 Nd2 O24 -","- C32 H44 N4 Nd2 O24 -","1","0.5","","Soumyabrata Roy; Oinam Bijeta Chanu; Sumanta Sarkar; Sebastian C. Peter","Selective colorimetric detection of Cu2+ by lanthanide based hybrid complexes associated with a single crystal growth mediated transformation","Journal of Materials Chemistry C","2016","4","","6256","6269","10.1039/C6TC00785F","","","0.71073","MoKα","","0.0485","0.0387","","","0.0896","0.0948","","","","","","1.067","","","","has coordinates,has disorder","220544","2020-10-21","18:00:00",""
"7234879","17.3672","0.0015","7.1242","0.0006","14.5591","0.0013","90","","101.285","0.005","90","","1766.5","0.3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H32 Cu2 N4 O24 -","- C28 H32 Cu2 N4 O24 -","- C56 H64 Cu4 N8 O48 -","2","0.5","","Soumyabrata Roy; Oinam Bijeta Chanu; Sumanta Sarkar; Sebastian C. Peter","Selective colorimetric detection of Cu2+ by lanthanide based hybrid complexes associated with a single crystal growth mediated transformation","Journal of Materials Chemistry C","2016","4","","6256","6269","10.1039/C6TC00785F","","","0.71073","MoKα","","0.1013","0.0623","","","0.1544","0.1795","","","","","","1.073","","","","has coordinates","220544","2020-10-21","18:00:00",""
"7234883","21.49","0.02","7.949","0.009","15.222","0.017","90","","90.696","0.013","90","","2600","5","296","2","296","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- H4 La2 N10 Na4 O32 -","- H4 La2 N10 Na4 O32 -","- H16 La8 N40 Na16 O128 -","4","1","","Bing-Hua Lei; Qingrong Kong; Zhihua Yang; Yun Yang; Ying Wang; Shilie Pan","Hierarchized band gap and enhanced optical responses of trivalent rare-earth metal nitrates due to (d-p)pi conjugation interactions","Journal of Materials Chemistry C","2016","4","","6295","6301","10.1039/C6TC01512C","","","0.71073","MoKα","","0.0994","0.0449","","","0.0833","0.1053","","","","","","0.932","","","","has coordinates","220589","2020-10-21","18:00:00",""
"7234884","34.635","0.003","7.3106","0.0007","6.5139","0.0006","90","","90.186","0.002","90","","1649.3","0.3","296","2","296","2","","","","","","","","4","C 1 2/m 1","-C 2y","12","","","","- Cl Gd3 H8 O8 -","- Cl Gd3 O8 -","- Cl8 Gd24 O64 -","8","1","","Yanyan Wang; Lei Qin; Guo-Jun Zhou; Xinxin Ye; Jiaqing He; Yan-Zhen Zheng","High-performance low-temperature magnetic refrigerants made of gadolinium-hydroxy-chloride","Journal of Materials Chemistry C","2016","4","","6473","6477","10.1039/C6TC01291D","","","0.71073","MoKα","","0.0609","0.0526","","","0.1411","0.1531","","","","","","1.176","","","","has coordinates","220590","2020-10-21","18:00:00",""
"7234885","6.18","0.007","3.757","0.004","6.734","0.007","90","","111.075","0.017","90","","145.9","0.3","293","2","293","2","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","","","- Cl Gd H2 O2 -","- Cl Gd H2 O2 -","- Cl2 Gd2 H4 O4 -","2","0.5","","Yanyan Wang; Lei Qin; Guo-Jun Zhou; Xinxin Ye; Jiaqing He; Yan-Zhen Zheng","High-performance low-temperature magnetic refrigerants made of gadolinium-hydroxy-chloride","Journal of Materials Chemistry C","2016","4","","6473","6477","10.1039/C6TC01291D","","","0.71073","MoKα","","0.0379","0.0342","","","0.0858","0.0882","","","","","","1.118","","","","has coordinates","220590","2020-10-21","18:00:00",""
"7234886","14.74","0.003","14.827","0.003","18.17","0.004","90","","90","","90","","3971.1","1.4","110","","110","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C18 H18 B F2 N5 O4 -","- C18 H18 B F2 N5 O4 -","- C144 H144 B8 F16 N40 O32 -","8","1","","Ryan R. Maar; Joe B. Gilroy","Aggregation-induced emission enhancement in boron difluoride complexes of 3-cyanoformazanates","Journal of Materials Chemistry C","2016","4","","6478","6482","10.1039/C6TC01782G","","","1.54178","CuKα","","0.0313","0.0296","","","0.074","0.0753","","","","","","1.034","","","","has coordinates","220591","2020-10-21","18:00:00",""
"7234887","5.6328","0.0005","11.2617","0.001","11.2686","0.001","86.443","0.001","77.439","0.001","85.486","0.001","694.81","0.11","100","2","100","2","","","","","","","","4","P -1","-P 1","2","2-(4-dicyanomethylenecyclohexa-2,5-dieny1idene)-imidazolidine.DMF","","","- C15 H17 N5 O -","- C15 H17 N5 O -","- C30 H34 N10 O2 -","2","1","","P. Srujana; Tarun Gera; T. P. Radhakrishnan","Fluorescence enhancement in crystals tuned by a molecular torsion angle: a model to analyze structural impact","Journal of Materials Chemistry C","2016","4","","6510","6515","10.1039/C6TC01610C","","","0.71073","MoKα","","0.0375","0.036","","","0.1","0.1016","","","","","","1.047","","","","has coordinates","220592","2020-10-21","18:00:00",""
"7234888","14.7692","0.0012","7.355","0.0006","24.42","0.002","90","","105.388","0.001","90","","2557.6","0.4","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","2-(4-dicyanomethylenecyclohexa-2,5-dieny1idene)-1-ethylimidazolidine.","","","- C28 H30 N8 O -","- C28 H30 N8 O -","- C112 H120 N32 O4 -","4","1","","P. Srujana; Tarun Gera; T. P. Radhakrishnan","Fluorescence enhancement in crystals tuned by a molecular torsion angle: a model to analyze structural impact","Journal of Materials Chemistry C","2016","4","","6510","6515","10.1039/C6TC01610C","","","0.71073","MoKα","","0.073","0.0594","","","0.121","0.1278","","","","","","1.127","","","","has coordinates","220592","2020-10-21","18:00:00",""
"7234889","9.1349","0.0006","11.5867","0.0007","11.7632","0.0007","90","","98.442","0.001","90","","1231.57","0.13","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","2-(4-dicyanomethylenecyclohexa-2,5-dieny1idene)-1,3-dimethylimidazolidine","","","- C14 H14 N4 -","- C14 H14 N4 -","- C56 H56 N16 -","4","1","","P. Srujana; Tarun Gera; T. P. Radhakrishnan","Fluorescence enhancement in crystals tuned by a molecular torsion angle: a model to analyze structural impact","Journal of Materials Chemistry C","2016","4","","6510","6515","10.1039/C6TC01610C","","","0.71073","MoKα","","0.0378","0.0353","","","0.0905","0.0925","","","","","","1.05","","","","has coordinates","220592","2020-10-21","18:00:00",""
"7234890","9.5084","0.0006","10.1887","0.0006","29.8085","0.0017","87.885","0.004","83.205","0.004","80.832","0.004","2830.4","0.3","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C60 H78 N6 O6 -","- C60 H78 N6 O6 -","- C120 H156 N12 O12 -","2","1","","Suraj Kumar Pathak; Balaram Pradhan; Ravindra Kumar Gupta; Monika Gupta; Santanu Kumar Pal; Ammathnadu S. Achalkumar","Aromatic pi-pi driven supergelation, aggregation induced emission and columnar self-assembly of star-shaped 1,2,4-oxadiazole derivatives","Journal of Materials Chemistry C","2016","4","","6546","6561","10.1039/C6TC01939K","","","0.71073","MoKα","","0.1543","0.0674","","","0.1695","0.2203","","","","","","1.029","","","","has coordinates","220593","2020-10-21","18:00:00",""
"7234891","19.0077","0.0007","15.6418","0.0006","8.2319","0.0003","90","","97.654","0.004","90","","2425.66","0.16","175","","175","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H26 Br2 O2 S2 -","- C26 H26 Br2 O2 S2 -","- C104 H104 Br8 O8 S8 -","4","1","","Gilles H. Roche; Yu-Tang Tsai; Simon Clevers; Damien Thuau; Frederic Castet; Yves H. Geerts; Joel J. E. Moreau; Guillaume Wantz; Olivier J. Dautel","The role of H-bonds in the solid state organization of [1]benzothieno[3,2-b][1]benzothiophene (BTBT) structures: bis(hydroxy-hexyl)-BTBT, as a functional derivative offering efficient air stable organic field effect transistors (OFETs)","Journal of Materials Chemistry C","2016","4","","6742","6749","10.1039/C6TC01814A","","","1.5418","CuKα","","0.1223","0.1194","","0.1133","0.1096","0.1096","","","","","","0.9036","","","","has coordinates","220594","2020-10-21","18:00:00",""
"7234892","8.446","0.0003","5.58942","0.00019","50.2534","0.0015","90","","92.829","0.003","90","","2369.48","0.14","293","","293","","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","","","- C26 H32 O2 S2 -","- C26 H32 O2 S2 -","- C104 H128 O8 S8 -","4","0.5","","Gilles H. Roche; Yu-Tang Tsai; Simon Clevers; Damien Thuau; Frederic Castet; Yves H. Geerts; Joel J. E. Moreau; Guillaume Wantz; Olivier J. Dautel","The role of H-bonds in the solid state organization of [1]benzothieno[3,2-b][1]benzothiophene (BTBT) structures: bis(hydroxy-hexyl)-BTBT, as a functional derivative offering efficient air stable organic field effect transistors (OFETs)","Journal of Materials Chemistry C","2016","4","","6742","6749","10.1039/C6TC01814A","","","0.71073","MoKα","","0.0403","0.0357","","0.0303","0.0272","0.0272","","","","","","1.0996","","","","has coordinates","220594","2020-10-21","18:00:00",""
"7234894","14.4602","0.001","12.4339","0.0009","23.7507","0.0017","90","","107.564","0.001","90","","4071.2","0.5","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C56 H120 As8 In8 -","- C56 H120 As8 In8 -","- C112 H240 As16 In16 -","2","0.5","","Peter Marchand; Sanjayan Sathasivam; Benjamin A. D. Williamson; David Pugh; Salem M. Bawaked; Sulaiman N. Basahel; Abdullah Y. Obaid; David O. Scanlon; Ivan P. Parkin; Claire J. Carmalt","A single-source precursor approach to solution processed indium arsenide thin films","Journal of Materials Chemistry C","2016","4","","6761","6768","10.1039/C6TC02293F","","","0.71075","MoKα","","0.0482","0.0324","","","0.0678","0.0749","","","","","","1.05","","","","has coordinates,has disorder","222409","2020-10-21","18:00:00",""
"7234895","10.1788","0.0005","12.4494","0.0007","12.8652","0.0006","67.749","0.005","85.414","0.004","78.057","0.005","1476.21","0.14","150","0.1","150","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C40 H27 N3 O S -","- C41 H30 N3 O S -","- C82 H60 N6 O2 S2 -","2","1","","Sunil Kumar; Meenu Singh; Jwo-Huei Jou; Subrata Ghosh","Trend breaking substitution pattern of phenothiazine with acceptors as a rational design platform for blue emitters","Journal of Materials Chemistry C","2016","4","","6769","6777","10.1039/C6TC01367H","","x-ray","0.71073","MoKα","","0.0758","0.0662","","","0.1728","0.181","","","","","","1.09","","","","has coordinates,has disorder","222425","2020-10-21","18:00:00",""
"7234896","14.328","0.0009","15.8222","0.0008","16.519","0.001","90","","93.784","0.005","90","","3736.7","0.4","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C42 H38 N6 O5 S -","- C42 H38 N6 O5 S -","- C168 H152 N24 O20 S4 -","4","1","","Sunil Kumar; Meenu Singh; Jwo-Huei Jou; Subrata Ghosh","Trend breaking substitution pattern of phenothiazine with acceptors as a rational design platform for blue emitters","Journal of Materials Chemistry C","2016","4","","6769","6777","10.1039/C6TC01367H","","x-ray","0.71073","MoKα","","0.1289","0.0855","","","0.2458","0.2836","","","","","","1.038","","","","has coordinates","222425","2020-10-21","18:00:00",""
"7234897","10.4101","0.0006","12.6325","0.0006","13.2754","0.0006","91.976","0.004","92.533","0.004","113.252","0.005","1599.86","0.15","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C34 H30 F3 N3 O7 -","- C34 H30 F3 N3 O7 -","- C68 H60 F6 N6 O14 -","2","1","","Ling Chen; Shao-Yun Yin; Mei Pan; Kai Wu; Hai-Ping Wang; Ya-Nan Fan; Cheng-Yong Su","A naked eye colorimetric sensor for alcohol vapor discrimination and amplified spontaneous emission (ASE) from a highly fluorescent excited-state intramolecular proton transfer (ESIPT) molecule","Journal of Materials Chemistry C","2016","4","","6962","6966","10.1039/C6TC01308B","","","0.71","MoKα","","0.1111","0.0739","","","0.1701","0.1921","","","","","","1.071","","","","has coordinates,has disorder","222461","2020-10-21","18:00:00",""
"7234898","9.4844","0.0005","11.976","0.0006","12.6807","0.0006","70.466","0.004","70.427","0.004","75.767","0.004","1264.39","0.12","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H22 F3 N2 O6 -","- C30 H21 F3 N2 O6 -","- C60 H42 F6 N4 O12 -","2","1","","Ling Chen; Shao-Yun Yin; Mei Pan; Kai Wu; Hai-Ping Wang; Ya-Nan Fan; Cheng-Yong Su","A naked eye colorimetric sensor for alcohol vapor discrimination and amplified spontaneous emission (ASE) from a highly fluorescent excited-state intramolecular proton transfer (ESIPT) molecule","Journal of Materials Chemistry C","2016","4","","6962","6966","10.1039/C6TC01308B","","","0.71073","MoKα","","0.0824","0.0492","","","0.1055","0.1212","","","","","","1.001","","","","has coordinates","222461","2020-10-21","18:00:00",""
"7234899","10.3694","0.0003","12.9551","0.0005","13.3347","0.0005","87.15","0.003","86.739","0.003","66.714","0.003","1642.03","0.11","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C35 H31 F3 N4 O7 -","- C35 H31 F3 N4 O7 -","- C70 H62 F6 N8 O14 -","2","1","","Ling Chen; Shao-Yun Yin; Mei Pan; Kai Wu; Hai-Ping Wang; Ya-Nan Fan; Cheng-Yong Su","A naked eye colorimetric sensor for alcohol vapor discrimination and amplified spontaneous emission (ASE) from a highly fluorescent excited-state intramolecular proton transfer (ESIPT) molecule","Journal of Materials Chemistry C","2016","4","","6962","6966","10.1039/C6TC01308B","","","1.54178","CuKα","","0.0457","0.0383","","","0.1028","0.1099","","","","","","1.039","","","","has coordinates","222461","2020-10-21","18:00:00",""
"7234900","9.1127","0.0003","12.7452","0.0007","14.6534","0.0009","89.06","0.005","89.138","0.004","69.885","0.004","1597.79","0.15","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C35 H32 F3 N3 O7 -","- C35 H32 F3 N3 O7 -","- C70 H64 F6 N6 O14 -","2","1","","Ling Chen; Shao-Yun Yin; Mei Pan; Kai Wu; Hai-Ping Wang; Ya-Nan Fan; Cheng-Yong Su","A naked eye colorimetric sensor for alcohol vapor discrimination and amplified spontaneous emission (ASE) from a highly fluorescent excited-state intramolecular proton transfer (ESIPT) molecule","Journal of Materials Chemistry C","2016","4","","6962","6966","10.1039/C6TC01308B","","","0.71073","MoKα","","0.0754","0.0545","","","0.1348","0.1473","","","","","","0.999","","","","has coordinates","222461","2020-10-21","18:00:00",""
"7234901","14.8457","0.0002","20.0452","0.0003","16.2309","0.0002","90","","104.788","0.001","90","","4670.09","0.11","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C29 H17 F3 N2 O5 -","- C29 H17 F3 N2 O5 -","- C232 H136 F24 N16 O40 -","8","2","","Ling Chen; Shao-Yun Yin; Mei Pan; Kai Wu; Hai-Ping Wang; Ya-Nan Fan; Cheng-Yong Su","A naked eye colorimetric sensor for alcohol vapor discrimination and amplified spontaneous emission (ASE) from a highly fluorescent excited-state intramolecular proton transfer (ESIPT) molecule","Journal of Materials Chemistry C","2016","4","","6962","6966","10.1039/C6TC01308B","","","0.71","MoKα","","0.0612","0.0476","","","0.1341","0.1483","","","","","","1.035","","","","has coordinates","222461","2020-10-21","18:00:00",""
"7234902","14.1247","0.0005","10.541","0.0004","14.3333","0.0004","90","","93.617","0.003","90","","2129.81","0.13","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C27 H17 F3 N2 O -","- C27 H17 F3 N2 O -","- C108 H68 F12 N8 O4 -","4","1","","Ling Chen; Shao-Yun Yin; Mei Pan; Kai Wu; Hai-Ping Wang; Ya-Nan Fan; Cheng-Yong Su","A naked eye colorimetric sensor for alcohol vapor discrimination and amplified spontaneous emission (ASE) from a highly fluorescent excited-state intramolecular proton transfer (ESIPT) molecule","Journal of Materials Chemistry C","2016","4","","6962","6966","10.1039/C6TC01308B","","","0.71073","MoKα","","0.0923","0.0522","","","0.1509","0.1789","","","","","","1.046","","","","has coordinates","222461","2020-10-21","18:00:00",""
"7234903","9.6401","0.0003","26.2037","0.0008","9.8735","0.0004","90","","109.829","0.004","90","","2346.23","0.15","97.2","0.6","97.2","0.6","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C28 H28 N2 O4 -","- C28 H28 N2 O4 -","- C112 H112 N8 O16 -","4","1","","Qiuhua Zhu; Weijie Yang; Sichao Zheng; Herman H. Y. Sung; Ian D. Williams; Shuwen Liu; Ben Zhong Tang","Reversible thermo-stimulus solid-state fluorescence-colour/on-off switching and uses as sensitive fluorescent thermometers in different temperature ranges","Journal of Materials Chemistry C","2016","4","","7383","7386","10.1039/C6TC01887D","","x-ray","1.5418","CuKα","","0.0501","0.0456","","","0.1159","0.1217","","","","","","1.003","","","","has coordinates","222509","2020-10-21","18:00:00",""
"7234904","9.65524","0.00016","26.2814","0.0003","9.90428","0.00018","90","","110.134","0.002","90","","2359.66","0.07","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C28 H28 N2 O4 -","- C28 H28 N2 O4 -","- C112 H112 N8 O16 -","4","1","","Qiuhua Zhu; Weijie Yang; Sichao Zheng; Herman H. Y. Sung; Ian D. Williams; Shuwen Liu; Ben Zhong Tang","Reversible thermo-stimulus solid-state fluorescence-colour/on-off switching and uses as sensitive fluorescent thermometers in different temperature ranges","Journal of Materials Chemistry C","2016","4","","7383","7386","10.1039/C6TC01887D","","","1.54184","CuKα","","0.0424","0.0356","","","0.0874","0.0912","","","","","","1.06","","","","has coordinates,has disorder","222509","2020-10-21","18:00:00",""
"7234905","9.6807","0.0002","26.3829","0.0006","9.9379","0.0003","90","","110.33","0.003","90","","2380.08","0.11","200","2","200","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C28 H28 N2 O4 -","- C28 H28 N2 O4 -","- C112 H112 N8 O16 -","4","1","","Qiuhua Zhu; Weijie Yang; Sichao Zheng; Herman H. Y. Sung; Ian D. Williams; Shuwen Liu; Ben Zhong Tang","Reversible thermo-stimulus solid-state fluorescence-colour/on-off switching and uses as sensitive fluorescent thermometers in different temperature ranges","Journal of Materials Chemistry C","2016","4","","7383","7386","10.1039/C6TC01887D","","","1.54184","CuKα","","0.0609","0.0423","","","0.0996","0.1093","","","","","","0.997","","","","has coordinates,has disorder","222509","2020-10-21","18:00:00",""
"7234906","12.279","0.003","16.264","0.003","36.106","0.007","90","","90","","90","","7211","3","293","2","293","2","","","","","","","","3","P c a 21","P 2c -2ac","29","","","","- C48 H34 N4 -","- C48 H34 N4 -","- C384 H272 N32 -","8","2","","Chuan Li; Muddasir Hanif; Xianglong Li; Shitong Zhang; Zengqi Xie; Linlin Liu; Bing Yang; Shijian Su; Yuguang Ma","Effect of cyano-substitution in distyrylbenzene derivatives on their fluorescence and electroluminescence properties","Journal of Materials Chemistry C","2016","4","","7478","7484","10.1039/C6TC01886F","","","0.71073","MoKα","","0.2423","0.0531","","","0.0843","0.1358","","","","","","0.823","","","","has coordinates","222523","2020-10-21","18:00:00",""
"7234907","9.5046","0.0019","9.874","0.002","19.372","0.004","81.04","0.03","81.1","0.03","89.66","0.03","1773.9","0.7","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- C48 H34 N4 -","- C48 H34 N4 -","- C96 H68 N8 -","2","1","","Chuan Li; Muddasir Hanif; Xianglong Li; Shitong Zhang; Zengqi Xie; Linlin Liu; Bing Yang; Shijian Su; Yuguang Ma","Effect of cyano-substitution in distyrylbenzene derivatives on their fluorescence and electroluminescence properties","Journal of Materials Chemistry C","2016","4","","7478","7484","10.1039/C6TC01886F","","","0.71073","MoKα","","0.2824","0.089","","","0.2266","0.3725","","","","","","0.878","","","","has coordinates","222523","2020-10-21","18:00:00",""
"7234908","9.4129","0.0003","9.5475","0.0003","23.9584","0.0007","90","","90","","90","","2153.13","0.12","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C12 H32 Br4 Cu N2 -","- C12 H32 Br4 Cu N2 -","- C48 H128 Br16 Cu4 N8 -","4","1","","Muhammad Adnan Asghar; Shuquan Zhang; Tariq Khan; Zhihua Sun; Aurang Zeb; Chengmin Ji; Lina Li; Sangen Zhao; Junhua Luo","Reversible phase transition driven by order-disorder transformations of metal-halide moieties in [(C6H14)NH2]2.CuBr4","Journal of Materials Chemistry C","2016","4","","7537","7540","10.1039/C6TC02034H","","","1.54184","CuKα","","0.044","0.0431","","","0.1092","0.1105","","","","","","1.042","","","","has coordinates","222548","2020-10-21","18:00:00",""
"7234909","9.4357","0.0005","9.5934","0.0005","24.6862","0.0008","90","","90","","90","","2234.61","0.18","173","2","273","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C12 H32 Br4 Cu N2 -","- C12 H32 Br4 Cu N2 -","- C48 H128 Br16 Cu4 N8 -","4","1","","Muhammad Adnan Asghar; Shuquan Zhang; Tariq Khan; Zhihua Sun; Aurang Zeb; Chengmin Ji; Lina Li; Sangen Zhao; Junhua Luo","Reversible phase transition driven by order-disorder transformations of metal-halide moieties in [(C6H14)NH2]2.CuBr4","Journal of Materials Chemistry C","2016","4","","7537","7540","10.1039/C6TC02034H","","","1.54184","CuKα","","0.0509","0.0334","","","0.0702","0.0788","","","","","","1","","","","has coordinates,has disorder","222548","2020-10-21","18:00:00",""
"7234910","20.8899","0.0013","20.488","0.001","23.843","0.002","90","","106.869","0.008","90","","9765.5","1.2","293","2","293.15","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C54 H60 B2 Si -","- C54 H60 B2 Si -","- C432 H480 B16 Si8 -","8","1","","Bin Chen; Han Nie; Rongrong Hu; Anjun Qin; Zujin Zhao; Ben Zhong Tang","Insights into the correlation between the molecular conformational change and AIE activity of 2,5-bis(dimesitylboryl)-3,4-diphenylsiloles","Journal of Materials Chemistry C","2016","4","","7541","7545","10.1039/C6TC02738E","","","0.71073","MoKα","","0.1378","0.0708","","","0.191","0.2273","","","","","","0.989","","","","has coordinates","222582","2020-10-21","18:00:00",""
"7234911","10.788","0.01","23.33","0.02","13.186","0.012","90","","97.821","0.009","90","","3288","5","298","2","298","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C42 H40 B N -","- C42 H40 B N -","- C168 H160 B4 N4 -","4","1","","Chen Wang; Yi Yuan; Sheng-Yong Li; Zuo-Bang Sun; Zuo-Quan Jiang; Cui-Hua Zhao","A highly twisted triarylborane-based biphenyl as an efficient host for blue and green phosphorescent OLEDs","Journal of Materials Chemistry C","2016","4","","7607","7613","10.1039/C6TC02451C","","","0.71","MoKα","","0.1191","0.064","","","0.1417","0.1757","","","","","","1.043","","","","has coordinates","222647","2020-10-21","18:00:00",""
"7234912","17.866","0.003","9.2669","0.0017","21.413","0.004","90","","110.057","0.0019","90","","3330.2","1","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C42 H0.25 B N -","- C42 H40 B N -","- C168 H160 B4 N4 -","4","1","","Chen Wang; Yi Yuan; Sheng-Yong Li; Zuo-Bang Sun; Zuo-Quan Jiang; Cui-Hua Zhao","A highly twisted triarylborane-based biphenyl as an efficient host for blue and green phosphorescent OLEDs","Journal of Materials Chemistry C","2016","4","","7607","7613","10.1039/C6TC02451C","","","0.71","MoKα","","0.0947","0.0539","","","0.1268","0.1517","","","","","","1.055","","","","has coordinates","222647","2020-10-21","18:00:00",""
"7234913","5.3294","0.0002","10.3097","0.0005","19.2218","0.0009","90","","90","","90","","1056.13","0.08","298","2","298","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C8 H11 Cl N2 O6 -","- C8 H11 Cl N2 O6 -","- C32 H44 Cl4 N8 O24 -","4","1","","Maciej Wojtas; Anna Gagor; Andrei L. Kholkin","Strong piezoelectricity in [H-beta-(2-pyridyl)-Ala-OH][BF4] and [H-beta-(2-pyridyl)-Ala-OH][ClO4] - new amino acid based hybrid crystals","Journal of Materials Chemistry C","2016","4","","7622","7631","10.1039/C6TC02206E","","","0.71073","MoKα","","0.0447","0.0325","","","0.0781","0.0832","","","","","","0.852","","","","has coordinates","222668","2020-10-21","18:00:00",""
"7234914","5.0586","0.0002","9.4971","0.0004","11.2012","0.0005","87.637","0.004","80.166","0.003","89.255","0.003","529.76","0.04","298","2","298","2","","","","","","","","6","P 1","P 1","1","","","","- C8 H11 B F4 N2 O2 -","- C8 H11 B F4 N2 O2 -","- C16 H22 B2 F8 N4 O4 -","2","2","","Maciej Wojtas; Anna Gagor; Andrei L. Kholkin","Strong piezoelectricity in [H-beta-(2-pyridyl)-Ala-OH][BF4] and [H-beta-(2-pyridyl)-Ala-OH][ClO4] - new amino acid based hybrid crystals","Journal of Materials Chemistry C","2016","4","","7622","7631","10.1039/C6TC02206E","","x-ray","0.71073","MoKα","","0.0599","0.0492","","","0.1102","0.1192","","","","","","1.137","","","","has coordinates,has disorder","222668","2020-10-21","18:00:00",""
"7234915","5.012","0.0002","9.4413","0.0004","11.0484","0.0005","88.242","0.004","80.518","0.003","89.255","0.003","515.41","0.04","100","2","100","2","","","","","","","","6","P 1","P 1","1","","","","- C8 H11 B F4 N2 O2 -","- C8 H11 B F4.0005 N2 O2 -","- C16 H22 B2 F8.001 N4 O4 -","2","2","","Maciej Wojtas; Anna Gagor; Andrei L. Kholkin","Strong piezoelectricity in [H-beta-(2-pyridyl)-Ala-OH][BF4] and [H-beta-(2-pyridyl)-Ala-OH][ClO4] - new amino acid based hybrid crystals","Journal of Materials Chemistry C","2016","4","","7622","7631","10.1039/C6TC02206E","","x-ray","0.71073","MoKα","","0.0495","0.0468","","","0.1174","0.1201","","","","","","1.156","","","","has coordinates","222668","2020-10-21","18:00:00",""
"7235011","47.441","0.002","5.6576","0.0003","35.9697","0.0017","90","","105.817","0.003","90","","9288.8","0.8","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C58 H42 Cl3 N2 -","- C58 H42 Cl3 N2 -","- C464 H336 Cl24 N16 -","8","1","","Ruizhi Tang; Xinyang Wang; Wanzheng Zhang; Xiaodong Zhuang; Shuai Bi; Wenbei Zhang; Fan Zhang","Aromatic azaheterocycle-cored luminogens with tunable physical properties via nitrogen atoms for sensing strong acids","Journal of Materials Chemistry C","2016","4","","7640","7648","10.1039/C6TC02591A","","","1.54178","CuKα","","0.1647","0.1473","","","0.398","0.4133","","","","","","1.121","","","","has coordinates","227651","2020-10-21","18:00:00",""
"7235012","45.0139","0.0016","5.615","0.0002","19.2525","0.0007","90","","112.628","0.002","90","","4491.5","0.3","173","2","173","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C57 H42 Cl2 N2 O -","- C57 H42 Cl2 N2 O -","- C228 H168 Cl8 N8 O4 -","4","1","","Ruizhi Tang; Xinyang Wang; Wanzheng Zhang; Xiaodong Zhuang; Shuai Bi; Wenbei Zhang; Fan Zhang","Aromatic azaheterocycle-cored luminogens with tunable physical properties via nitrogen atoms for sensing strong acids","Journal of Materials Chemistry C","2016","4","","7640","7648","10.1039/C6TC02591A","","","1.54178","CuKα","","0.117","0.108","","","0.2904","0.3189","","","","","","1.452","","","","has coordinates,has disorder","227651","2020-10-21","18:00:00",""
"7235013","17.199","0.002","9.8597","0.0013","16.463","0.002","90","","90","","90","","2791.7","0.6","296","2","296","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C26 H22 N12 Ni O2 S2 -","- C26 H22 N12 Ni O2 S2 -","- C104 H88 N48 Ni4 O8 S8 -","4","1","","Lin Sun; Sheng Zhang; Sanping Chen; Bing Yin; Yichen Sun; Zhenxing Wang; Zhongwen Ouyang; Jianlin Ren; Wenyuan Wang; Qing Wei; Gang Xie; Shengli Gao","A two-dimensional cobalt(ii) network with a remarkable positive axial anisotropy parameter exhibiting field-induced single-ion magnet behavior","Journal of Materials Chemistry C","2016","4","","7798","7808","10.1039/C6TC02234K","","","0.71073","MoKα","","0.0605","0.046","","","0.1173","0.1279","","","","","","1.049","","","","has coordinates","227652","2020-10-21","18:00:00",""
"7235014","17.246","0.007","9.876","0.004","16.48","0.007","90","","90","","90","","2807","2","296","2","296","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C26 H22 Co N12 O2 S2 -","- C26 H22 Co N12 O2 S2 -","- C104 H88 Co4 N48 O8 S8 -","4","1","","Lin Sun; Sheng Zhang; Sanping Chen; Bing Yin; Yichen Sun; Zhenxing Wang; Zhongwen Ouyang; Jianlin Ren; Wenyuan Wang; Qing Wei; Gang Xie; Shengli Gao","A two-dimensional cobalt(ii) network with a remarkable positive axial anisotropy parameter exhibiting field-induced single-ion magnet behavior","Journal of Materials Chemistry C","2016","4","","7798","7808","10.1039/C6TC02234K","","","0.71073","MoKα","","0.1992","0.0923","","","0.2039","0.2491","","","","","","0.913","","","","has coordinates","227652","2020-10-21","18:00:00",""
"7235015","5.016","0.001","5.466","0.0011","16.124","0.003","93.12","0.03","96.16","0.03","93.03","0.03","438.11","0.15","","","","","","","","","","","","4","P -1","-P 1","2","","","","- C4.5 H5 N O0.5 -","- C4.5 H5 N O0.5 -","- C18 H20 N4 O2 -","4","2","","Yang-Hui Luo; Qing-Ling Liu; Li-Jing Yang; Yu Sun; Jin-Wen Wang; Chao-Qun You; Bai-Wang Sun","Magnetic observation of above room-temperature spin transition in vesicular nano-spheres","Journal of Materials Chemistry C","2016","4","","8061","8069","10.1039/C6TC02796B","","","0.71073","MoKα","","0.1943","0.0795","","","0.1699","0.2173","","","","","","0.9548","","","","has coordinates","227653","2020-10-21","18:00:00",""
"7235016","10.1984","0.0003","10.1984","0.0003","8.7126","0.0004","90","","90","","120","","784.77","0.05","293","2","293","2","","","","","","","","5","P 3 1 c","P 3 -2c","159","","","","- B10 Ba3 H5 Li O21 -","- B10 Ba3 H4.98 Li O20.99 -","- B20 Ba6 H9.96 Li2 O41.98 -","2","0.333333","","Chao Wu; Junling Song; Longhua Li; Mark G. Humphrey; Chi Zhang","Alkali metal-alkaline earth metal borate crystal LiBa3(OH)(B9O16)[B(OH)4] as a new deep-UV nonlinear optical material","Journal of Materials Chemistry C","2016","4","","8189","8196","10.1039/C6TC02306A","","","0.71073","MoKα","","0.0214","0.021","","","0.0455","0.0456","","","","","","1.13","","","","has coordinates","227654","2020-10-21","18:00:00",""
"7235017","19.293","0.003","4.0674","0.0007","20.37","0.004","90","","118.107","0.003","90","","1410","0.4","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C20 H12 N2 -","- C20 H12 N2 -","- C80 H48 N8 -","4","1","","Lingyan Zhu; Fei Tong; Norhan Zaghloul; Omar Baz; Christopher J. Bardeen; Rabih O. Al-Kaysi","Characterization of a P-type photomechanical molecular crystal based on the E -> Z photoisomerization of 9-divinylanthracene malonitrile","Journal of Materials Chemistry C","2016","4","","8245","8252","10.1039/C6TC02517J","","","0.71073","MoKα","","0.0809","0.0519","","","0.1248","0.1413","","","","","","1.024","","","","has coordinates","227655","2020-10-21","18:00:00",""
"7235018","10.167","0.011","10.88","0.011","14.496","0.015","73.632","0.013","79.944","0.012","89.367","0.013","1514","3","296","2","296","2","","","","","","","","3","P -1","-P 1","2","","","","- C2.19 H2.19 Br0.13 -","- C2.19355 H2.19355 Br0.129032 -","- C68 H68 Br4 -","31","15.5","","Jie Yang; Qingxun Guo; Xiaodong Wen; Xuming Gao; Qian Peng; Qianqian Li; Dongge Ma; Zhen Li","Pyrene-based blue AIEgens: tunable intramolecular conjugation, good hole mobility and reversible mechanochromism","Journal of Materials Chemistry C","2016","4","","8506","8513","10.1039/C6TC02533A","","","0.71073","MoKα","","0.1025","0.0472","","","0.1352","0.1494","","","","","","1.091","","","","has coordinates","227664","2020-10-21","18:00:00",""
"7235019","5.8265","0.0001","7.6208","0.0002","31.9178","0.0009","90","","90","","90","","1417.23","0.06","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","""poly-[(mu4-thiobenzoato-kO:kS:kS:kS)silver(I)]""","","- C7 H5 Ag O S -","- C7 H5 Ag O S -","- C56 H40 Ag8 O8 S8 -","8","1","","Javier Troyano; Oscar Castillo; Pilar Amo-Ochoa; Vanesa Fernandez-Moreira; Carlos J. Gomez-Garcia; Felix Zamora; Salome Delgado","A crystalline and free-standing silver thiocarboxylate thin-film showing high green to yellow luminescence","Journal of Materials Chemistry C","2016","4","","8545","8551","10.1039/C6TC02401G","","","0.71073","MoKα","","0.0523","0.0299","","","0.0559","0.0625","","","","","","1.081","","","","has coordinates","227665","2020-10-21","18:00:00",""
"7235020","5.781","0.005","7.593","0.006","31.74","0.03","90","","90","","90","","1393","2","110","2","110","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","""poly-[(mu4-thiobenzoato-kO:kS:kS:kS)silver(I)]""","","- C7 H5 Ag O S -","- C7 H5 Ag O S -","- C56 H40 Ag8 O8 S8 -","8","1","","Javier Troyano; Oscar Castillo; Pilar Amo-Ochoa; Vanesa Fernandez-Moreira; Carlos J. Gomez-Garcia; Felix Zamora; Salome Delgado","A crystalline and free-standing silver thiocarboxylate thin-film showing high green to yellow luminescence","Journal of Materials Chemistry C","2016","4","","8545","8551","10.1039/C6TC02401G","","","0.71073","MoKα","","0.0384","0.032","","","0.0635","0.0656","","","","","","1.149","","","","has coordinates","227665","2020-10-21","18:00:00",""
"7235021","7.262","0.0005","7.4725","0.0006","23.2818","0.0016","90","","91.999","0.002","90","","1262.62","0.16","293","2","293","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C20 H32 Cl4 Cu N2 -","- C20 H32 Cl4 Cu N2 -","- C40 H64 Cl8 Cu2 N4 -","2","0.5","","Bo Huang; Bao-Ying Wang; Zi-Yi Du; Wei Xue; Wei-Jian Xu; Yu-Jun Su; Wei-Xiong Zhang; Ming-Hua Zeng; Xiao-Ming Chen","Importing spontaneous polarization into a Heisenberg ferromagnet for a potential single-phase multiferroic","Journal of Materials Chemistry C","2016","4","","8704","8710","10.1039/C6TC02715F","","","0.71073","MoKα","","0.0585","0.0496","","","0.1449","0.155","","","","","","1.058","","","","has coordinates,has disorder","227667","2020-10-21","18:00:00",""
"7235022","7.4531","0.0004","7.4531","0.0004","23.317","0.0016","90","","90","","90","","1295.23","0.13","350","2","350","2","","","","","","","","5","P 4/m b m","-P 4 2ab","127","","","","- C20 H32 Cl4 Cu N2 -","- C20 H32 Cl4 Cu N2 -","- C40 H64 Cl8 Cu2 N4 -","2","0.125","","Bo Huang; Bao-Ying Wang; Zi-Yi Du; Wei Xue; Wei-Jian Xu; Yu-Jun Su; Wei-Xiong Zhang; Ming-Hua Zeng; Xiao-Ming Chen","Importing spontaneous polarization into a Heisenberg ferromagnet for a potential single-phase multiferroic","Journal of Materials Chemistry C","2016","4","","8704","8710","10.1039/C6TC02715F","","","0.71073","MoKα","","0.0808","0.0471","","","0.1083","0.1241","","","","","","1.126","","","","has coordinates,has disorder","227667","2020-10-21","18:00:00",""
"7235023","27.6628","0.0014","7.4916","0.0005","29.4231","0.0018","90","","101.819","0.002","90","","5968.3","0.6","120","2","120","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C20 H32 Cl4 Cu N2 -","- C20 H32 Cl4 Cu N2 -","- C200 H320 Cl40 Cu10 N20 -","10","5","","Bo Huang; Bao-Ying Wang; Zi-Yi Du; Wei Xue; Wei-Jian Xu; Yu-Jun Su; Wei-Xiong Zhang; Ming-Hua Zeng; Xiao-Ming Chen","Importing spontaneous polarization into a Heisenberg ferromagnet for a potential single-phase multiferroic","Journal of Materials Chemistry C","2016","4","","8704","8710","10.1039/C6TC02715F","","","0.71073","MoKα","","0.0862","0.0632","","","0.1546","0.1746","","","","","","0.985","","","","has coordinates,has disorder","227667","2020-10-21","18:00:00",""
"7235024","7.6772","0.0006","15.0035","0.0013","47.276","0.003","90","","95.078","0.001","90","","5424.1","0.7","298","2","298","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C39 H28 O -","- C39 H28 O -","- C312 H224 O8 -","8","2","","Xianchao Du; Fan Xu; Mao-Sen Yuan; Pengchong Xue; Lei Zhao; Dong-En Wang; Wenji Wang; Qin Tu; Shu-Wei Chen; Jinyi Wang","Reversible luminescence color switching in the crystal polymorphs of 2,7-bis(2'-methyl-[1,1'-biphenyl]-4-yl)-fluorenone by thermal and mechanical stimuli","Journal of Materials Chemistry C","2016","4","","8724","8730","10.1039/C6TC02804G","","","0.71073","MoKα","","0.2603","0.1421","","","0.2996","0.3524","","","","","","1.071","","","","has coordinates,has disorder","227668","2020-10-21","18:00:00",""
"7235025","27.852","0.003","5.163","0.0004","20.8582","0.0018","90","","115.191","0.003","90","","2714.1","0.4","298","2","298","2","","","","","","","","3","C 1 2 1","C 2y","5","","","","- C39 H28 O -","- C39 H28 O -","- C156 H112 O4 -","4","1","","Xianchao Du; Fan Xu; Mao-Sen Yuan; Pengchong Xue; Lei Zhao; Dong-En Wang; Wenji Wang; Qin Tu; Shu-Wei Chen; Jinyi Wang","Reversible luminescence color switching in the crystal polymorphs of 2,7-bis(2'-methyl-[1,1'-biphenyl]-4-yl)-fluorenone by thermal and mechanical stimuli","Journal of Materials Chemistry C","2016","4","","8724","8730","10.1039/C6TC02804G","","","0.71073","MoKα","","0.1232","0.0631","","","0.1088","0.1225","","","","","","1.042","","","","has coordinates,has disorder","227668","2020-10-21","18:00:00",""
"7235026","6.7436","0.0015","6.7436","0.0015","5.6182","0.0013","90","","90","","120","","221.26","0.09","173","2","173","2","","","","","","","","5","P -3 m 1","-P 3 2""","164","","","","- Cl3 Cu3 H6 O6 Y -","- Cl3 Cu3 H6 O6 Y -","- Cl3 Cu3 H6 O6 Y -","1","0.0833333","","Wei Sun; Ya-Xi Huang; Sergiy Nokhrin; Yuanming Pan; Jin-Xiao Mi","Perfect Kagome lattices in YCu3(OH)6Cl3: a new candidate for the quantum spin liquid state","Journal of Materials Chemistry C","2016","4","","8772","8777","10.1039/C6TC02399A","","","0.71073","MoKα","","0.0137","0.0137","","","0.042","0.042","","","","","","1.062","","","","has coordinates","227669","2020-10-21","18:00:00",""
"7235027","6.749","0.0009","6.749","0.0009","5.6244","0.0011","90","","90","","120","","221.86","0.06","295","2","295","2","","","","","","","","5","P -3 m 1","-P 3 2""","164","","","","- Cl3 Cu3 H6 O6 Y -","- Cl3 Cu3 H6 O6 Y0.999 -","- Cl3 Cu3 H6 O6 Y0.999 -","1","0.0833333","","Wei Sun; Ya-Xi Huang; Sergiy Nokhrin; Yuanming Pan; Jin-Xiao Mi","Perfect Kagome lattices in YCu3(OH)6Cl3: a new candidate for the quantum spin liquid state","Journal of Materials Chemistry C","2016","4","","8772","8777","10.1039/C6TC02399A","","","0.71073","MoKα","","0.028","0.0265","","","0.0683","0.0691","","","","","","1.079","","","","has coordinates","227669","2020-10-21","18:00:00",""
"7235028","10.1994","0.0003","10.2834","0.0004","23.9507","0.0008","84.458","0.003","79.792","0.003","72.903","0.003","2360.4","0.15","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C56 H45 Cl2 N3 O2 S -","- C56 H42 Cl2 N3 O2 S -","- C112 H84 Cl4 N6 O4 S2 -","2","1","","Guang Li; Juewen Zhao; Dan Zhang; Zhichun Shi; Zelin Zhu; Huanquan Song; Jieji Zhu; Silu Tao; Feng Lu; Qingxiao Tong","Mechanochromic asymmetric sulfone derivatives for use in efficient blue organic light-emitting diodes","Journal of Materials Chemistry C","2016","4","","8787","8794","10.1039/C6TC02917E","","","0.71073","MoKα","","0.123","0.0995","","","0.2945","0.3217","","","","","","1.046","","","","has coordinates,has disorder","227670","2020-10-21","18:00:00",""
"7235029","10.0674","0.0005","10.1635","0.0008","28.2487","0.0008","89.93","0.004","80.73","0.003","74.382","0.006","2744.6","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C62 H46 N3 O2 S -","- C61 H46 N3 O2 S -","- C122 H92 N6 O4 S2 -","2","1","","Guang Li; Juewen Zhao; Dan Zhang; Zhichun Shi; Zelin Zhu; Huanquan Song; Jieji Zhu; Silu Tao; Feng Lu; Qingxiao Tong","Mechanochromic asymmetric sulfone derivatives for use in efficient blue organic light-emitting diodes","Journal of Materials Chemistry C","2016","4","","8787","8794","10.1039/C6TC02917E","","","0.71073","MoKα","","0.1226","0.0897","","","0.269","0.3037","","","","","","0.982","","","","has coordinates,has disorder","227670","2020-10-21","18:00:00",""
"7235030","21.7114","0.0004","4.9659","0.0001","26.7513","0.0005","90","","90.2752","0.0009","90","","2884.2","0.1","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C32 H38 N2 O4 S -","- C32 H38 N2 O4 S -","- C128 H152 N8 O16 S4 -","4","1","","Wangqiao Chen; Masahiro Nakano; Ji-Hoon Kim; Kazuo Takimiya; Qichun Zhang","Naphtho[2,3-b]thiophene diimide (NTI): a mono-functionalisable core-extended naphthalene diimide for electron-deficient architectures","Journal of Materials Chemistry C","2016","4","","8879","8883","10.1039/C6TC03476D","","","1.54187","CuKα","","0.0733","0.0618","","","0.191","0.2025","","","","","","1.464","","","","has coordinates,has disorder","227671","2020-10-21","18:00:00",""
"7235031","7.5568","0.0005","32.8316","0.0017","10.9474","0.0007","90","","109.928","0.003","90","","2553.4","0.3","93","","93","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","1,4-bis(4,2':6'4''-terpyridin-4'-yl)benzene","","- C36 H24 N6 -","- C36 H24 N6 -","- C144 H96 N24 -","4","1","","Yuichiro Watanabe; Ryo Yoshioka; Hisahiro Sasabe; Takahiro Kamata; Hiroshi Katagiri; Daisuke Yokoyama; Junji Kido","Fundamental functions of peripheral and core pyridine rings in a series of bis-terpyridine derivatives for high-performance organic light-emitting devices","Journal of Materials Chemistry C","2016","4","","8980","8988","10.1039/C6TC02631A","","","0.71075","MoKα","","0.0488","0.0449","","","0.1237","0.1279","","","","","","1.06","","","","has coordinates","227699","2020-10-21","18:00:00",""
"7235032","9.6557","0.0019","16.827","0.003","7.3429","0.0015","90","","90","","90","","1193","0.4","293","2","293","2","","","","","","","","7","C m c m","-C 2c 2","63","","","","- C6 H12 Cd Cl2 N2 O4 S -","- C6 H12 Cd Cl2 N2 O4 S -","- C24 H48 Cd4 Cl8 N8 O16 S4 -","4","0.25","","Cheng Chen; Wan-Ying Zhang; Heng-Yun Ye; Qiong Ye; Da-Wei Fu","Rapid dielectric bistable switching materials without a time/temperature responsive blind area in the linarite-like type molecular large-size single crystals","Journal of Materials Chemistry C","2016","4","","9009","9020","10.1039/C6TC02166B","","","0.71073","MoKα","","0.0394","0.0376","","","0.2152","0.2222","","","","","","1.076","","","","has coordinates","227700","2020-10-21","18:00:00",""
"7235033","16.939","0.011","7.303","0.005","9.723","0.007","90","","90","","90","","1202.8","1.4","193","2","193","2","","","","","","","","7","P n m a","-P 2ac 2n","62","","","","- C6 H12 Cd Cl2 N2 O4 S -","- C6 H12 Cd Cl2 N2 O4 S -","- C24 H48 Cd4 Cl8 N8 O16 S4 -","4","0.5","","Cheng Chen; Wan-Ying Zhang; Heng-Yun Ye; Qiong Ye; Da-Wei Fu","Rapid dielectric bistable switching materials without a time/temperature responsive blind area in the linarite-like type molecular large-size single crystals","Journal of Materials Chemistry C","2016","4","","9009","9020","10.1039/C6TC02166B","","","0.71073","MoKα","","0.0475","0.0454","","","0.1492","0.1551","","","","","","1.064","","","","has coordinates","227700","2020-10-21","18:00:00",""
"7235034","9.773","0.005","17.299","0.01","7.551","0.004","90","","90","","90","","1276.6","1.2","293","2","293","2","","","","","","","","7","C m c m","-C 2c 2","63","","","","- C6 H12 Br2 Cd N2 O3 S -","- C6 H12 Br2 Cd N2 O3 S -","- C24 H48 Br8 Cd4 N8 O12 S4 -","4","0.25","","Cheng Chen; Wan-Ying Zhang; Heng-Yun Ye; Qiong Ye; Da-Wei Fu","Rapid dielectric bistable switching materials without a time/temperature responsive blind area in the linarite-like type molecular large-size single crystals","Journal of Materials Chemistry C","2016","4","","9009","9020","10.1039/C6TC02166B","","","0.71073","MoKα","","0.0679","0.0549","","","0.1687","0.1964","","","","","","1.241","","","","has coordinates","227700","2020-10-21","18:00:00",""
"7235035","9.752","0.007","17.244","0.012","7.521","0.005","90","","90","","90","","1264.8","1.5","223","2","223","2","","","","","","","","7","C m c m","-C 2c 2","63","","","","- C6 H12 Br2 Cd N2 O4 S -","- C6 H12 Br2 Cd N2 O4 S -","- C24 H48 Br8 Cd4 N8 O16 S4 -","4","0.25","","Cheng Chen; Wan-Ying Zhang; Heng-Yun Ye; Qiong Ye; Da-Wei Fu","Rapid dielectric bistable switching materials without a time/temperature responsive blind area in the linarite-like type molecular large-size single crystals","Journal of Materials Chemistry C","2016","4","","9009","9020","10.1039/C6TC02166B","","","0.71073","MoKα","","0.0903","0.0838","","","0.2475","0.2546","","","","","","1.973","","","","has coordinates","227700","2020-10-21","18:00:00",""
"7235036","9.67202","0.000084","9.67202","0.000084","7.25393","0.000071","90","","90","","120","","587.677","0.009","300","","300","","","","","","","","","5","P 63/m","-P 6c","176","","","","- Ca O12 P2 Si Sr4 -","- Ca0.022 O4.21467 P0.881 Si0.119 Sr1.64467 -","- Ca0.132 O25.288 P5.286 Si0.714 Sr9.868 -","6","0.5","","Manli Zhang; Zhiguo Xia; Maxim S. Molokeev; Lin Shi; Quanlin Liu","New insight into the crystal structure of Sr4Ca(PO4)2SiO4 and the photoluminescence tuning of Sr4Ca(PO4)2SiO4:Ce3+,Na+,Eu2+ phosphors","Journal of Materials Chemistry C","2016","4","","9078","9084","10.1039/C6TC03373C","powder diffraction","x-ray","1.5406","CuKα~1~~2~","","","","","","","","","1.93","2.19","","","","","","","has coordinates","227701","2020-10-21","18:00:00",""
"7235037","6.9099","0.0003","6.9099","0.0003","11.9332","0.0011","90","","90","","120","","493.44","0.05","293","2","293","2","","","","","","","","5","P 63 m c","P 6c -2c","186","","","","- Cs H12 Mg O10 P -","- Cs H12 Mg O10 P -","- Cs2 H24 Mg2 O20 P2 -","2","0.166667","","Yuqiao Zhou; Liling Cao; Chensheng Lin; Min Luo; Tao Yan; Ning Ye; Wendan Cheng","AMgPO4.6H2O (A = Rb, Cs): strong SHG responses originated from orderly PO4 groups","Journal of Materials Chemistry C","2016","4","","9219","9226","10.1039/C6TC03295H","","","0.71073","MoKα","","0.0163","0.0154","","","0.0316","0.0319","","","","","","1.01","","","","has coordinates","227702","2020-10-21","18:00:00",""
"7235038","6.896","0.006","6.191","0.005","11.341","0.009","90","","90","","90","","484.2","0.7","293","2","293","2","","","","","","","","5","P m n 21","P 2ac -2","31","","","","- H12 Mg O10 P Rb -","- H12 Mg O10 P Rb -","- H24 Mg2 O20 P2 Rb2 -","2","0.5","","Yuqiao Zhou; Liling Cao; Chensheng Lin; Min Luo; Tao Yan; Ning Ye; Wendan Cheng","AMgPO4.6H2O (A = Rb, Cs): strong SHG responses originated from orderly PO4 groups","Journal of Materials Chemistry C","2016","4","","9219","9226","10.1039/C6TC03295H","","","0.71073","MoKα","","0.071","0.0501","","","0.0897","0.0937","","","","","","1.29","","","","has coordinates","227702","2020-10-21","18:00:00",""
"7235039","5.7908","0.0006","11.3325","0.0013","17.388","0.0019","90","","90","","90","","1141.1","0.2","173.15","","173.15","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C10 H4 Br2 O2 S2 -","- C10 H4 Br2 O2 S2 -","- C40 H16 Br8 O8 S8 -","4","1","","Weifeng Zhang; Zupan Mao; Naihang Zheng; Jiabin Zou; Liping Wang; Congyuan Wei; Jianyao Huang; Dong Gao; Gui Yu","Highly planar cross-conjugated alternating polymers with multiple conformational locks: synthesis, characterization and their field-effect properties","Journal of Materials Chemistry C","2016","4","","9266","9275","10.1039/C6TC02891H","","","0.71073","MoKα","","0.0297","0.0277","","","0.0571","0.0582","","","","","","1.069","","","","has coordinates","227704","2020-10-21","18:00:00",""
"7235040","14.0019","0.001","14.0989","0.0011","20.1686","0.0013","78.253","0.003","78.004","0.002","82.267","0.003","3795.3","0.5","123","2","123","2","","","","","","","","3","P -1","-P 1","2","","","","- C52.75 H37.5 Cl1.5 -","- C52.75 H37.5 Cl1.5 -","- C211 H150 Cl6 -","4","2","","Yingying Zhang; Bairong He; Wenwen Luo; Huiren Peng; Shuming Chen; Rongrong Hu; Anjun Qin; Zujin Zhao; Ben Zhong Tang","Aggregation-enhanced emission and through-space conjugation of tetraarylethanes and folded tetraarylethenes","Journal of Materials Chemistry C","2016","4","","9316","9324","10.1039/C6TC03767D","","","0.71073","MoKα","","0.1795","0.082","","","0.1845","0.2426","","","","","","1.073","","","","has coordinates,has disorder","227707","2020-10-21","18:00:00",""
"7235041","7.7741","0.0004","11.8714","0.0008","21.2066","0.0013","84.073","0.005","82.043","0.005","86.516","0.005","1925.8","0.2","293","2","293.15","","","","","","","","","2","P -1","-P 1","2","","","","- C58 H38 -","- C58 H38 -","- C116 H76 -","2","1","","Yingying Zhang; Bairong He; Wenwen Luo; Huiren Peng; Shuming Chen; Rongrong Hu; Anjun Qin; Zujin Zhao; Ben Zhong Tang","Aggregation-enhanced emission and through-space conjugation of tetraarylethanes and folded tetraarylethenes","Journal of Materials Chemistry C","2016","4","","9316","9324","10.1039/C6TC03767D","","","0.71073","MoKα","","0.0738","0.0459","","","0.1031","0.1212","","","","","","1.04","","","","has coordinates","227707","2020-10-21","18:00:00",""
"7235042","9.8761","0.0007","18.5457","0.0014","19.1881","0.0015","95.226","0.002","93.21","0.002","94.902","0.002","3479.9","0.5","173","2","173","2","","","","","","","","2","P -1","-P 1","2","","","","- C50 H36 -","- C50 H36 -","- C200 H144 -","4","2","","Yingying Zhang; Bairong He; Wenwen Luo; Huiren Peng; Shuming Chen; Rongrong Hu; Anjun Qin; Zujin Zhao; Ben Zhong Tang","Aggregation-enhanced emission and through-space conjugation of tetraarylethanes and folded tetraarylethenes","Journal of Materials Chemistry C","2016","4","","9316","9324","10.1039/C6TC03767D","","","0.71073","MoKα","","0.1379","0.0562","","","0.098","0.1333","","","","","","1.043","","","","has coordinates","227707","2020-10-21","18:00:00",""
"7235043","12.797","0.004","13.085","0.005","27.664","0.009","90","","92.323","0.012","90","","4628","3","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C62.5 H49 Cl N2 -","- C62.5 H49 Cl N2 -","- C250 H196 Cl4 N8 -","4","1","","Yingying Zhang; Bairong He; Wenwen Luo; Huiren Peng; Shuming Chen; Rongrong Hu; Anjun Qin; Zujin Zhao; Ben Zhong Tang","Aggregation-enhanced emission and through-space conjugation of tetraarylethanes and folded tetraarylethenes","Journal of Materials Chemistry C","2016","4","","9316","9324","10.1039/C6TC03767D","","","0.71073","MoKα","","0.1364","0.0582","","","0.1139","0.1414","","","","","","1.047","","","","has coordinates","227707","2020-10-21","18:00:00",""
"7235044","12.5537","0.0008","6.3103","0.0004","23.6534","0.0017","90","","99.738","0.006","90","","1846.8","0.2","170","","170","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(E)-2'-[2-(benzo[d]thiazol-2-yl)vinyl]-N, N-dimethyl-(1,1'-biphenyl)-4-amine","","- C23 H20 N2 S -","- C23 H20 N2 S -","- C92 H80 N8 S4 -","4","1","","Xiao-Lin Lu; Min Xia","Multi-stimuli response of a novel half-cut cruciform and its application as a security ink","Journal of Materials Chemistry C","2016","4","","9350","9358","10.1039/C6TC02618D","","","0.71073","MoKα","","0.064","0.0437","","","0.1003","0.1125","","","","","","1.04","","","","has coordinates","227708","2020-10-21","18:00:00",""
"7235045","12.365","0.0004","14.4741","0.0004","15.2565","0.0004","64.148","0.001","71.704","0.001","89.432","0.001","2307.11","0.12","100","0.2","100","0.2","","","","","","","","5","P -1","-P 1","2","","CC-MP7","","- C57 H51 B N2 S2 -","- C57 H51 B N2 S2 -","- C114 H102 B2 N4 S4 -","2","1","","Yu-Jen Cheng; Siao-Yin Yu; Song-Cheng Lin; Jiann T. Lin; Li-Yin Chen; Dai-Sin Hsiu; Yuh Sheng Wen; Mandy M. Lee; Shih-Sheng Sun","A phenothiazine/dimesitylborane hybrid material as a bipolar transport host of red phosphor","Journal of Materials Chemistry C","2016","4","","9499","9508","10.1039/C6TC03335K","","","0.71073","MoKα","","0.0551","0.0412","","","0.1033","0.1179","","","","","","1.076","","","","has coordinates","227709","2020-10-21","18:00:00",""
"7235046","12.7131","0.0004","31.5821","0.0011","13.1493","0.0004","90","","96.177","0.002","90","","5248.9","0.3","100","0.2","100","0.2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","CC-MP8","","- C63 H65 B2 N S -","- C63 H65 B2 N S -","- C252 H260 B8 N4 S4 -","4","1","","Yu-Jen Cheng; Siao-Yin Yu; Song-Cheng Lin; Jiann T. Lin; Li-Yin Chen; Dai-Sin Hsiu; Yuh Sheng Wen; Mandy M. Lee; Shih-Sheng Sun","A phenothiazine/dimesitylborane hybrid material as a bipolar transport host of red phosphor","Journal of Materials Chemistry C","2016","4","","9499","9508","10.1039/C6TC03335K","","","0.71073","MoKα","","0.0763","0.0532","","","0.1233","0.1394","","","","","","1.04","","","","has coordinates,has disorder","227709","2020-10-21","18:00:00",""
"7235047","8.4398","0.0003","13.9346","0.0004","41.3013","0.0013","90","","95.627","0.002","90","","4833.8","0.3","100","0.2","100","0.2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","CC-MP4","","- C117 H109 B2 N4 S4 -","- C117 H109 B2 N4.0026 S4 -","- C234 H218 B4 N8.0052 S8 -","2","0.5","","Yu-Jen Cheng; Siao-Yin Yu; Song-Cheng Lin; Jiann T. Lin; Li-Yin Chen; Dai-Sin Hsiu; Yuh Sheng Wen; Mandy M. Lee; Shih-Sheng Sun","A phenothiazine/dimesitylborane hybrid material as a bipolar transport host of red phosphor","Journal of Materials Chemistry C","2016","4","","9499","9508","10.1039/C6TC03335K","","","0.71073","MoKα","","0.0942","0.0785","","","0.2022","0.2167","","","","","","1.056","","","","has coordinates,has disorder","227709","2020-10-21","18:00:00",""
"7235050","4.7412","0.0003","7.7243","0.0006","16.8734","0.0014","95.985","0.007","90.633","0.006","92.942","0.006","613.68","0.08","173","","173","","","","","","","","","5","P -1","-P 1","2","","","","- C26 H26 Br2 N4 O2 -","- C26 H26 Br2 N4 O2 -","- C26 H26 Br2 N4 O2 -","1","0.5","","Wan Yue; Mark Nikolka; Mingfei Xiao; Aditya Sadhanala; Christian B. Nielsen; Andrew J. P. White; Hung-Yang Chen; Ada Onwubiko; Henning Sirringhaus; Iain McCulloch","Azaisoindigo conjugated polymers for high performance n-type and ambipolar thin film transistor applications","Journal of Materials Chemistry C","2016","4","","9704","9710","10.1039/C6TC03000A","","","1.54184","CuKα","","0.0516","0.0417","","","0.096","0.1021","","","","","","1.03","","","","has coordinates","227764","2020-10-21","18:00:00",""
"7235051","12.9459","0.0008","17.2178","0.001","14.0795","0.0008","90","","110.666","0.002","90","","2936.4","0.3","123","","123","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C31 H23 Cl F6 N5 P Ru -","- C31 H23 Cl F6 N5 P Ru -","- C124 H92 Cl4 F24 N20 P4 Ru4 -","4","1","","Felix Brunner; Nathalie Marinakis; Cedric Wobill; Markus Willgert; Cathrin D. Ertl; Tatjana Kosmalski; Markus Neuburger; Biljana Bozic-Weber; Thilo Glatzel; Edwin C. Constable; Catherine E. Housecroft","Modular synthesis of simple cycloruthenated complexes with state-of-the-art performance in p-type DSCs","Journal of Materials Chemistry C","2016","4","","9823","9833","10.1039/C6TC03874C","","","1.54178","CuKα","","0.0311","0.0257","","0.036","0.0266","0.0251","","","","","","1.1321","","","","has coordinates","227765","2020-10-21","18:00:00",""
"7235052","28.0947","0.0013","28.0947","0.0013","3.71428","0.00016","90","","90","","120","","2538.9","0.2","298","","298","","","","","","","","see text","4","R 3 :H","R 3","146","","","eu_antr3","- C45 H27 Eu O6 -","- C45 H27 Eu O6 -","- C135 H81 Eu3 O18 -","3","0.333333","","Valentina V. Utochnikova; Alena S. Kalyakina; Ivan S. Bushmarinov; Andrey A. Vashchenko; Lukasz Marciniak; Anna M. Kaczmarek; Rik Van Deun; Stefan Brase; Natalia P. Kuzmina","Lanthanide 9-anthracenate: solution processable emitters for efficient purely NIR emitting host-free OLEDs","Journal of Materials Chemistry C","2016","4","","9848","9855","10.1039/C6TC03586H","powder diffraction","x-ray","1.5406","CuKα~1~","","","","","","","","","0.006","2.448","","","","","","","has coordinates","227766","2020-10-21","18:00:00",""
"7235053","21.337","0.003","21.337","0.003","8.7908","0.0011","90","","90","","120","","3466","0.8","100","","100","","","","","","","","","5","R 3 :H","R 3","146","","","","- C51 H45.64 O9.48 S3 Yb -","- C51 H45.64 O9.48 S3 Yb -","- C153 H136.92 O28.44 S9 Yb3 -","3","0.333333","","Valentina V. Utochnikova; Alena S. Kalyakina; Ivan S. Bushmarinov; Andrey A. Vashchenko; Lukasz Marciniak; Anna M. Kaczmarek; Rik Van Deun; Stefan Brase; Natalia P. Kuzmina","Lanthanide 9-anthracenate: solution processable emitters for efficient purely NIR emitting host-free OLEDs","Journal of Materials Chemistry C","2016","4","","9848","9855","10.1039/C6TC03586H","","x-ray","1.54178","CuKα","","0.0177","0.0177","","","0.0426","0.0427","","","","","","1.062","","","","has coordinates,has disorder","227766","2020-10-21","18:00:00",""
"7235054","26.426","0.007","6.8665","0.0017","13.432","0.004","90","","93.45","0.005","90","","2432.9","1.1","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C33 H23 F N2 -","- C33 H23 F N2 -","- C132 H92 F4 N8 -","4","1","","Yujian Zhang; Moge Qile; Jingwei Sun; Minhong Xu; Kai Wang; Feng Cao; Weijun Li; Qingbao Song; Bo Zou; Cheng Zhang","Ratiometric pressure sensors based on cyano-substituted oligo(p-phenylene vinylene) derivatives in the hybridized local and charge-transfer excited state","Journal of Materials Chemistry C","2016","4","","9954","9960","10.1039/C6TC03157A","","","0.71073","MoKα","","0.0785","0.0451","","","0.1091","0.123","","","","","","1.004","","","","has coordinates","227767","2020-10-21","18:00:00",""
"7235055","9.6528","0.001","16.9821","0.0017","13.8598","0.0013","90","","91.648","0.004","90","","2271","0.4","296","2","296","2","","","","","","","chemical","4","P 1 21/n 1","-P 2yn","14","9-(triphenylsilyl)-9H-carbazole","CzSi","","- C30 H23 N Si -","- C30 H23 N Si -","- C120 H92 N4 Si4 -","4","1","","Huanhuan Li; Lijia Xu; Yuting Tang; Ye Tao; Shen Xu; Chao Zheng; Guichuan Xing; Xinhui Zhou; Wei Huang; Runfeng Chen","Direct silicon-nitrogen bonded host materials with enhanced sigma-pi conjugation for blue phosphorescent organic light-emitting diodes","Journal of Materials Chemistry C","2016","4","","10047","10052","10.1039/C6TC03877H","","","0.71073","MoKα","","0.0605","0.046","","","0.1233","0.1352","","","","","","1.073","","","","has coordinates","227768","2020-10-21","18:00:00",""
"7235056","14.382","0.004","9.215","0.002","21.897","0.005","90","","111.629","0.014","90","","2697.7","1.2","293","2","293","2","","","","","","","synthesis","4","P 1 21/c 1","-P 2ybc","14","di(9H-carbazol-9-yl)diphenylsilane","DCzSi","","- C36 H26 N2 Si -","- C36 H26 N2 Si -","- C144 H104 N8 Si4 -","4","1","","Huanhuan Li; Lijia Xu; Yuting Tang; Ye Tao; Shen Xu; Chao Zheng; Guichuan Xing; Xinhui Zhou; Wei Huang; Runfeng Chen","Direct silicon-nitrogen bonded host materials with enhanced sigma-pi conjugation for blue phosphorescent organic light-emitting diodes","Journal of Materials Chemistry C","2016","4","","10047","10052","10.1039/C6TC03877H","","","0.71073","MoKα","","0.0645","0.0569","","","0.1425","0.1529","","","","","","1.036","","","","has coordinates","227768","2020-10-21","18:00:00",""
"7235057","11.684","0.003","11.696","0.003","12.506","0.003","107.411","0.003","96.921","0.003","101.986","0.003","1564.3","0.7","296","2","296","2","","","","","","","synthesis","4","P -1","-P 1","2","3,6-di-tert-butyl-9-(triphenylsilyl)-9H-carbazole","BuCzSi","","- C38 H39 N Si -","- C38 H39 N Si -","- C76 H78 N2 Si2 -","2","1","","Huanhuan Li; Lijia Xu; Yuting Tang; Ye Tao; Shen Xu; Chao Zheng; Guichuan Xing; Xinhui Zhou; Wei Huang; Runfeng Chen","Direct silicon-nitrogen bonded host materials with enhanced sigma-pi conjugation for blue phosphorescent organic light-emitting diodes","Journal of Materials Chemistry C","2016","4","","10047","10052","10.1039/C6TC03877H","","","0.71073","MoKα","","0.0587","0.044","","","0.1261","0.1573","","","","","","1.125","","","","has coordinates","227768","2020-10-21","18:00:00",""
"7235058","16.008","0.003","18.367","0.004","15.659","0.003","90","","102.9","0.003","90","","4487.8","1.6","296","2","296","2","","","","","","","synthesis","4","C 1 2/c 1","-C 2yc","15","bis(3,6-di-tert-butyl-9H-carbazol-9-yl)diphenylsilane","DBuCzSi","","- C52 H58 N2 Si -","- C52 H58 N2 Si -","- C208 H232 N8 Si4 -","4","0.5","","Huanhuan Li; Lijia Xu; Yuting Tang; Ye Tao; Shen Xu; Chao Zheng; Guichuan Xing; Xinhui Zhou; Wei Huang; Runfeng Chen","Direct silicon-nitrogen bonded host materials with enhanced sigma-pi conjugation for blue phosphorescent organic light-emitting diodes","Journal of Materials Chemistry C","2016","4","","10047","10052","10.1039/C6TC03877H","","","0.71073","MoKα","","0.0899","0.0731","","","0.2113","0.231","","","","","","1.05","","","","has coordinates","227768","2020-10-21","18:00:00",""
"7235059","12.39","0.003","5.9175","0.0012","23.356","0.005","90","","95.62","0.03","90","","1704.2","0.7","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C47 H32 N2 -","- C47 H32 N2 -","- C94 H64 N4 -","2","1","","Chenglong Li; Jinbei Wei; Jianxiong Han; Zhiqiang Li; Xiaoxian Song; Zuolun Zhang; Jingying Zhang; Yue Wang","Efficient deep-blue OLEDs based on phenanthro[9,10-d]imidazole-containing emitters with AIE and bipolar transporting properties","Journal of Materials Chemistry C","2016","4","","10120","10129","10.1039/C6TC03923E","","","0.71073","MoKα","","0.1367","0.0699","","","0.1546","0.1839","","","","","","1.003","","","","has coordinates","227769","2020-10-21","18:00:00",""
"7235060","9.907","0.002","14.375","0.003","16.621","0.003","97.46","0.03","91.84","0.03","105.68","0.03","2254.1","0.9","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","DPAC-DBTDO","","- C62 H42 N2 O2 S -","- C62 H42 N2 O2 S -","- C124 H84 N4 O4 S2 -","2","1","","Xin He; Tong Shan; Xiangyang Tang; Yu Gao; Jinyu Li; Bing Yang; Ping Lu","Highly efficient organic light emitting diodes based on a D-A-D type dibenzothiophene derivative exhibiting thermally activated delayed fluorescence with small deltaEST","Journal of Materials Chemistry C","2016","4","","10205","10208","10.1039/C6TC03382B","","","0.71073","MoKα","","0.0714","0.0485","","","0.1427","0.1627","","","","","","1.03","","","","has coordinates","227770","2020-10-21","18:00:00",""
"7235061","8.3049","0.0011","16.413","0.002","29.185","0.003","90","","92.477","0.009","90","","3974.4","0.8","105.5","","105.54","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C44 H37 N6 O10.25 S2 -","- C44 H37 N6 O10.25 S2 -","- C176 H148 N24 O41 S8 -","4","1","","Morteza Adinehnia; Bryan Borders; Michael Ruf; Bhaskar Chilukuri; K. W. Hipps; Ursula Mazur","Comprehensive structure-function correlation of photoactive ionic pi-conjugated supermolecular assemblies: an experimental and computational study","Journal of Materials Chemistry C","2016","4","","10223","10239","10.1039/C6TC03957J","","","1.54178","CuKα","","0.1059","0.0625","","","0.1588","0.1822","","","","","","1.0312","","","","has coordinates","227771","2020-10-21","18:00:00",""
"7235062","32.451","0.007","10.272","0.002","15.874","0.003","90","","92.58","0.03","90","","5286","1.8","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Ir(dfpypy)2(fptz)","","- C28 H14 F7 Ir N8 -","- C28 H14 F7 Ir N8 -","- C224 H112 F56 Ir8 N64 -","8","1","","Yansong Feng; Xuming Zhuang; Dongxia Zhu; Yu Liu; Yue Wang; Martin R. Bryce","Rational design and characterization of heteroleptic phosphorescent iridium(iii) complexes for highly efficient deep-blue OLEDs","Journal of Materials Chemistry C","2016","4","","10246","10252","10.1039/C6TC04119A","","","0.71073","MoKα","","0.0381","0.0256","","","0.0566","0.0689","","","","","","1.068","","","","has coordinates,has disorder","227772","2020-10-21","18:00:00",""
"7235063","10.423","0.002","16.123","0.003","17.439","0.004","90","","96.28","0.03","90","","2913","1","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Ir(Medfpypy)2(fptz).fcf","","- C30 H18 F7 Ir N8 -","- C30 H18 F7 Ir N8 -","- C120 H72 F28 Ir4 N32 -","4","1","","Yansong Feng; Xuming Zhuang; Dongxia Zhu; Yu Liu; Yue Wang; Martin R. Bryce","Rational design and characterization of heteroleptic phosphorescent iridium(iii) complexes for highly efficient deep-blue OLEDs","Journal of Materials Chemistry C","2016","4","","10246","10252","10.1039/C6TC04119A","","","0.71073","MoKα","","0.0557","0.0358","","","0.0662","0.0715","","","","","","1.067","","","","has coordinates,has disorder","227772","2020-10-21","18:00:00",""
"7235064","21.848","0.002","15.4782","0.0016","19.843","0.002","90","","106.46","0.002","90","","6435.3","1.1","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C73 H58 Au2 Cl2 N2 O8 P4 -","- C73 H58 Au2 Cl2 N2 O8 P4 -","- C292 H232 Au8 Cl8 N8 O32 P16 -","4","1","","Csaba Jobbagy; Peter Baranyai; Gabor Marsi; Barbara Racz; Liang Li; Pance Naumov; Andrea Deak","Novel gold(i) diphosphine-based dimers with aurophilicity triggered multistimuli light-emitting properties","Journal of Materials Chemistry C","2016","4","","10253","10264","10.1039/C6TC01427E","","","0.71073","MoKα","","0.0393","0.024","","","0.0417","0.0455","","","","","","0.999","","","","has coordinates","227773","2020-10-21","18:00:00",""
"7235065","22.275","0.003","16.505","0.002","19.91","0.003","90","","105.095","0.002","90","","7067.3","1.7","100","2","100","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C75 H58 Au2 Cl2 F6 O8 P4 S2 -","- C75 H58 Au2 Cl2 F6 O8 P4 S2 -","- C300 H232 Au8 Cl8 F24 O32 P16 S8 -","4","1","","Csaba Jobbagy; Peter Baranyai; Gabor Marsi; Barbara Racz; Liang Li; Pance Naumov; Andrea Deak","Novel gold(i) diphosphine-based dimers with aurophilicity triggered multistimuli light-emitting properties","Journal of Materials Chemistry C","2016","4","","10253","10264","10.1039/C6TC01427E","","","0.71073","MoKα","","0.0513","0.0336","","","0.0752","0.0846","","","","","","1.011","","","","has coordinates,has disorder","227774","2020-10-21","18:00:00",""
"7235066","21.8263","0.0018","16.0732","0.0013","19.7116","0.0016","90","","106.692","0.003","90","","6623.8","0.9","100","2","100","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C73 H58 Au2 B2 Cl2 F8 O2 P4 -","- C73 H58 Au2 B2 Cl2 F8 O2 P4 -","- C292 H232 Au8 B8 Cl8 F32 O8 P16 -","4","1","","Csaba Jobbagy; Peter Baranyai; Gabor Marsi; Barbara Racz; Liang Li; Pance Naumov; Andrea Deak","Novel gold(i) diphosphine-based dimers with aurophilicity triggered multistimuli light-emitting properties","Journal of Materials Chemistry C","2016","4","","10253","10264","10.1039/C6TC01427E","","","0.71073","MoKα","","0.0596","0.0363","","","0.0716","0.0791","","","","","","1.016","","","","has coordinates","227775","2020-10-21","18:00:00",""
"7235067","22.2139","0.0017","16.1798","0.0012","19.9656","0.0015","90","","105.74","0.001","90","","6906.9","0.9","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C73 H58 Au2 Cl2 F12 O2 P6 -","- C73 H58 Au2 Cl2 F12 O2 P6 -","- C292 H232 Au8 Cl8 F48 O8 P24 -","4","1","","Csaba Jobbagy; Peter Baranyai; Gabor Marsi; Barbara Racz; Liang Li; Pance Naumov; Andrea Deak","Novel gold(i) diphosphine-based dimers with aurophilicity triggered multistimuli light-emitting properties","Journal of Materials Chemistry C","2016","4","","10253","10264","10.1039/C6TC01427E","","","0.71073","MoKα","","0.0506","0.0314","","","0.0613","0.0685","","","","","","1.011","","","","has coordinates","227776","2020-10-21","18:00:00",""
"7235068","12.5913","0.0004","13.4958","0.0004","23.9939","0.0009","91.744","0.001","101.643","0.001","112.048","0.001","3675.9","0.2","98","2","98","2","","","","","","","","7","P -1","-P 1","2","","","","- C75.56 H65.11 Au2 Cl7.11 N2 O9 P4 -","- C75.557 H65.114 Au2 Cl7.114 N2 O9 P4 -","- C151.114 H130.228 Au4 Cl14.228 N4 O18 P8 -","2","1","","Csaba Jobbagy; Peter Baranyai; Gabor Marsi; Barbara Racz; Liang Li; Pance Naumov; Andrea Deak","Novel gold(i) diphosphine-based dimers with aurophilicity triggered multistimuli light-emitting properties","Journal of Materials Chemistry C","2016","4","","10253","10264","10.1039/C6TC01427E","","","0.71075","MoKα","","0.0644","0.0514","","","0.1185","0.1217","","","","","","1.176","","","","has coordinates","227777","2020-10-21","18:00:00",""
"7235069","22.6394","0.0016","16.3498","0.0011","20.1213","0.0014","90","","105.23","0.001","90","","7186.3","0.9","100","2","100","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C73 H58 Au2 Cl2 F12 O2 P4 Sb2 -","- C73 H58 Au2 Cl2 F12 O2 P4 Sb2 -","- C292 H232 Au8 Cl8 F48 O8 P16 Sb8 -","4","1","","Csaba Jobbagy; Peter Baranyai; Gabor Marsi; Barbara Racz; Liang Li; Pance Naumov; Andrea Deak","Novel gold(i) diphosphine-based dimers with aurophilicity triggered multistimuli light-emitting properties","Journal of Materials Chemistry C","2016","4","","10253","10264","10.1039/C6TC01427E","","","0.71073","MoKα","","0.0421","0.0302","","","0.0699","0.0767","","","","","","1.026","","","","has coordinates,has disorder","227778","2020-10-21","18:00:00",""
"7235113","5.917849","0.000038","5.917849","0.000038","20.75995","0.00038","90","","90","","120","","629.629","0.013","","","4","","","","","","","","","5","P 31 2 1","P 31 2""","152","","","vesignieite","- Ba Cu3 D2 O10 V2 -","- Ba Cu3 D2 H0 O10 V2 -","- Ba3 Cu9 D6 H0 O30 V6 -","3","0.5","","David Boldrin; Kevin Knight; Andrew S. Wills","Orbital frustration in the S = 1/2 kagome magnet vesignieite, BaCu3V2O8(OH)2","Journal of Materials Chemistry C","2016","4","","10315","10322","10.1039/C6TC02935C","","neutron","","","","","","","","","","","","","","","","","","","has coordinates","227869","2020-10-21","18:00:00",""
"7235114","12.067","0.003","7.0775","0.0017","15.484","0.004","90","","110.374","0.003","90","","1239.7","0.5","153.15","","153.15","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","ht-dma","","","- C13 H13 N5 -","- C13 H13 N5 -","- C52 H52 N20 -","4","1","","Ting Han; Xinggui Gu; Jacky W. Y. Lam; Anakin C. S. Leung; Ryan T. K. Kwok; Tianyu Han; Bin Tong; Jianbing Shi; Yuping Dong; Ben Zhong Tang","Diaminomaleonitrile-based Schiff bases: aggregation-enhanced emission, red fluorescence, mechanochromism and bioimaging applications","Journal of Materials Chemistry C","2016","4","","10430","10434","10.1039/C6TC03883B","","x-ray","0.71073","MoKα","","0.0487","0.0403","","","0.1047","0.1107","","","","","","1.001","","","","has coordinates","227870","2020-10-21","18:00:00",""
"7235115","13.594","0.003","13.655","0.003","20.363","0.004","90","","98.363","0.002","90","","3739.7","1.4","153.15","","153.15","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C19 H25 N5 -","- C19 H25 N5 -","- C152 H200 N40 -","8","2","","Ting Han; Xinggui Gu; Jacky W. Y. Lam; Anakin C. S. Leung; Ryan T. K. Kwok; Tianyu Han; Bin Tong; Jianbing Shi; Yuping Dong; Ben Zhong Tang","Diaminomaleonitrile-based Schiff bases: aggregation-enhanced emission, red fluorescence, mechanochromism and bioimaging applications","Journal of Materials Chemistry C","2016","4","","10430","10434","10.1039/C6TC03883B","","","0.71073","MoKα","","0.0643","0.0545","","","0.144","0.1516","","","","","","1.001","","","","has coordinates,has disorder","227870","2020-10-21","18:00:00",""
"7235116","9.4059","0.0004","11.4024","0.0005","15.4542","0.0005","94.338","0.003","105.333","0.003","92.789","0.003","1589.82","0.11","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C38 H30 F6 N P -","- C38 H30 F6 N P -","- C76 H60 F12 N2 P2 -","2","1","","Rui Xue Zhang; Peng Fei Li; Wen Juan Zhang; Nan Li; Na Zhao","A highly sensitive fluorescent sensor with aggregation-induced emission characteristics for the detection of iodide and mercury ions in aqueous solution","Journal of Materials Chemistry C","2016","4","","10479","10485","10.1039/C6TC03696A","","","1.54184","CuKα","","0.135","0.1202","","","0.4019","0.4268","","","","","","1.833","","","","has coordinates","227871","2020-10-21","18:00:00",""
"7235117","8.547","0.0016","7.1652","0.0013","10.8277","0.0018","90","","90.898","0.011","90","","663","0.2","296","2","296","2","","","","","","","","4","P 1 n 1","P -2yac","7","","","","- Cs O15 P5 Pb2 -","- Cs O15 P5 Pb2 -","- Cs2 O30 P10 Pb4 -","2","1","","Maierhaba Abudoureheman; Shujuan Han; Bing-Hua Lei; Zhihua Yang; Xifa Long; Shilie Pan","KPb2(PO3)5: a novel nonlinear optical lead polyphosphate with a short deep-UV cutoff edge","Journal of Materials Chemistry C","2016","4","","10630","10637","10.1039/C6TC03424A","","","0.71073","MoKα","","0.0552","0.0511","","","0.1382","0.1424","","","","","","1.077","","","","has coordinates","227872","2020-10-21","18:00:00",""
"7235118","8.5207","0.0008","7.1635","0.0007","10.6027","0.001","90","","90.882","0.006","90","","647.09","0.11","296","2","296","2","","","","","","","","4","P 1 n 1","P -2yac","7","","","","- K O15 P5 Pb2 -","- K O15 P5 Pb2 -","- K2 O30 P10 Pb4 -","2","1","","Maierhaba Abudoureheman; Shujuan Han; Bing-Hua Lei; Zhihua Yang; Xifa Long; Shilie Pan","KPb2(PO3)5: a novel nonlinear optical lead polyphosphate with a short deep-UV cutoff edge","Journal of Materials Chemistry C","2016","4","","10630","10637","10.1039/C6TC03424A","","","0.71073","MoKα","","0.0314","0.0282","","","0.0579","0.0597","","","","","","1.02","","","","has coordinates","227872","2020-10-21","18:00:00",""
"7235119","8.5503","0.0008","7.1666","0.0006","10.7861","0.001","90","","91.03","0.006","90","","660.83","0.1","296","2","296","2","","","","","","","","4","P 1 n 1","P -2yac","7","","","","- O15 P5 Pb2 Rb -","- O15 P5 Pb2 Rb -","- O30 P10 Pb4 Rb2 -","2","1","","Maierhaba Abudoureheman; Shujuan Han; Bing-Hua Lei; Zhihua Yang; Xifa Long; Shilie Pan","KPb2(PO3)5: a novel nonlinear optical lead polyphosphate with a short deep-UV cutoff edge","Journal of Materials Chemistry C","2016","4","","10630","10637","10.1039/C6TC03424A","","","0.71073","MoKα","","0.0288","0.0273","","","0.055","0.0558","","","","","","1.043","","","","has coordinates","227872","2020-10-21","18:00:00",""
"7235120","10.8077","0.0005","17.3778","0.0008","18.139","0.0009","90","","90.09","0.004","90","","3406.8","0.3","150","0.1","150","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C29 H60 N4 O3 Zr -","- C29 H60 N4 O3 Zr -","- C116 H240 N16 O12 Zr4 -","4","1","","Amanda L. Catherall; Michael S. Hill; Andrew L. Johnson; Gabriele Kociok-Kohn; Mary F. Mahon","Homoleptic zirconium amidates: single source precursors for the aerosol-assisted chemical vapour deposition of ZrO2","Journal of Materials Chemistry C","2016","4","","10731","10739","10.1039/C6TC03631G","","x-ray","0.71073","MoKα","","0.071","0.0521","","","0.1245","0.136","","","","","","1.026","","","","has coordinates,has disorder","227873","2020-10-21","18:00:00",""
"7235121","20.1357","0.0005","15.0949","0.0004","12.2443","0.0003","90","","98.836","0.002","90","","3677.44","0.16","150","2","150","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C32 H64 N4 O4 Zr -","- C32 H64 N4 O4 Zr -","- C128 H256 N16 O16 Zr4 -","4","1","","Amanda L. Catherall; Michael S. Hill; Andrew L. Johnson; Gabriele Kociok-Kohn; Mary F. Mahon","Homoleptic zirconium amidates: single source precursors for the aerosol-assisted chemical vapour deposition of ZrO2","Journal of Materials Chemistry C","2016","4","","10731","10739","10.1039/C6TC03631G","","x-ray","0.71073","MoKα","","0.0649","0.0517","","","0.146","0.1553","","","","","","1.024","","","","has coordinates","227873","2020-10-21","18:00:00",""
"7235122","11.7212","0.0006","16.1788","0.0009","19.0915","0.001","68.599","0.005","79.594","0.004","81.912","0.005","3304.3","0.3","150","0.3","150","0.3","","","","","","","","5","P -1","-P 1","2","","","","- C28 H56 N4 O4 Zr -","- C28 H56 N4 O4 Zr -","- C112 H224 N16 O16 Zr4 -","4","2","","Amanda L. Catherall; Michael S. Hill; Andrew L. Johnson; Gabriele Kociok-Kohn; Mary F. Mahon","Homoleptic zirconium amidates: single source precursors for the aerosol-assisted chemical vapour deposition of ZrO2","Journal of Materials Chemistry C","2016","4","","10731","10739","10.1039/C6TC03631G","","x-ray","0.71073","MoKα","","0.0924","0.0464","","","0.0701","0.0756","","","","","","0.81","","","","has coordinates","227873","2020-10-21","18:00:00",""
"7235123","18.3482","0.0007","11.992","0.0005","8.9002","0.0004","90","","112.527","0.002","90","","1808.9","0.13","150","2","150","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C32 H64 N4 O4 Zr -","- C32 H64 N4 O4 Zr -","- C64 H128 N8 O8 Zr2 -","2","0.5","","Amanda L. Catherall; Michael S. Hill; Andrew L. Johnson; Gabriele Kociok-Kohn; Mary F. Mahon","Homoleptic zirconium amidates: single source precursors for the aerosol-assisted chemical vapour deposition of ZrO2","Journal of Materials Chemistry C","2016","4","","10731","10739","10.1039/C6TC03631G","","","0.71069","MoKα","","0.0342","0.0318","","","0.0631","0.0643","","","","","","1.061","","","","has coordinates,has disorder","227873","2020-10-21","18:00:00",""
"7235124","7.7718","0.0016","7.7718","0.0016","19.077","0.007","90","","90","","90","","1152.3","0.5","153.15","","153.15","","","","","","","","","4","I 4/m c m","-I 4 2c","140","","","","- Ge4 Mn2 Na4 Se12 -","- Ge4 Mn2 Na4 Se12 -","- Ge8 Mn4 Na8 Se24 -","2","0.0625","","Molin Zhou; Wenlong Yin; Fei Liang; Arthur Mar; Zheshuai Lin; Jiyong Yao; Yicheng Wu","Na2MnGe2Se6: a new Mn-based antiferromagnetic chalcogenide with large Mn...Mn separation","Journal of Materials Chemistry C","2016","4","","10812","10819","10.1039/C6TC03825E","","","0.71073","MoKα","","0.0587","0.0448","","","0.1059","0.1141","","","","","","1.148","","","","has coordinates","227874","2020-10-21","18:00:00",""
"7235125","13.0582","0.0005","15.5436","0.0005","16.7528","0.0006","90","","111.039","0.002","90","","3173.7","0.2","240","2","240","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C26 H25 Cu F12 N4 O6 -","- C26 H25 Cu F12 N4 O6 -","- C104 H100 Cu4 F48 N16 O24 -","4","1","","N. A. Artiukhova; G. V. Romanenko; A. S. Bogomyakov; I. Yu. Barskaya; S. L. Veber; M. V. Fedin; K. Yu. Maryunina; K. Inoue; V. I. Ovcharenko","Cu(ii) complex with nitronyl nitroxide whose paramagnetism is suppressed by temperature decrease and/or pressure increase","Journal of Materials Chemistry C","2016","4","","11157","11163","10.1039/C6TC03216H","","","0.71073","MoKα","","0.0691","0.0414","","","0.1065","0.1164","","","","","","0.948","","","","has coordinates,has disorder","227875","2020-10-21","18:00:00",""
"7235126","18.0709","0.0005","11.8731","0.0004","16.624","0.0005","90","","115.725","0.001","90","","3213.29","0.17","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H23 N4 O2 -","- C16 H23 N4 O2 -","- C128 H184 N32 O16 -","8","2","","N. A. Artiukhova; G. V. Romanenko; A. S. Bogomyakov; I. Yu. Barskaya; S. L. Veber; M. V. Fedin; K. Yu. Maryunina; K. Inoue; V. I. Ovcharenko","Cu(ii) complex with nitronyl nitroxide whose paramagnetism is suppressed by temperature decrease and/or pressure increase","Journal of Materials Chemistry C","2016","4","","11157","11163","10.1039/C6TC03216H","","","1.54178","CuKα","","0.0645","0.0554","","","0.1617","0.171","","","","","","1.074","","","","has coordinates,has disorder","227875","2020-10-21","18:00:00",""
"7235127","13.113","0.006","15.597","0.007","16.766","0.008","90","","111.173","0.019","90","","3198","3","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C26 H25 Cu F12 N4 O6 -","- C26 H25 Cu F12 N4 O6 -","- C104 H100 Cu4 F48 N16 O24 -","4","1","","N. A. Artiukhova; G. V. Romanenko; A. S. Bogomyakov; I. Yu. Barskaya; S. L. Veber; M. V. Fedin; K. Yu. Maryunina; K. Inoue; V. I. Ovcharenko","Cu(ii) complex with nitronyl nitroxide whose paramagnetism is suppressed by temperature decrease and/or pressure increase","Journal of Materials Chemistry C","2016","4","","11157","11163","10.1039/C6TC03216H","","","0.71073","MoKα","","0.1081","0.0495","","","0.1164","0.1391","","","","","","1.004","","","","has coordinates,has disorder","227875","2020-10-21","18:00:00",""
"7235128","12.9049","0.0006","15.4562","0.0007","16.6873","0.0008","90","","110.803","0.002","90","","3111.5","0.3","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C26 H25 Cu F12 N4 O6 -","- C26 H25 Cu F12 N4 O6 -","- C104 H100 Cu4 F48 N16 O24 -","4","1","","N. A. Artiukhova; G. V. Romanenko; A. S. Bogomyakov; I. Yu. Barskaya; S. L. Veber; M. V. Fedin; K. Yu. Maryunina; K. Inoue; V. I. Ovcharenko","Cu(ii) complex with nitronyl nitroxide whose paramagnetism is suppressed by temperature decrease and/or pressure increase","Journal of Materials Chemistry C","2016","4","","11157","11163","10.1039/C6TC03216H","","","0.71073","MoKα","","0.061","0.0408","","","0.1061","0.113","","","","","","1.033","","","","has coordinates,has disorder","227875","2020-10-21","18:00:00",""
"7235129","11.4229","0.0009","11.441","0.0009","14.0936","0.0011","105.066","0.005","95.834","0.005","109.95","0.006","1634.7","0.2","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C26 H25 Cu F12 N4 O6 -","- C26 H25 Cu F12 N4 O6 -","- C52 H50 Cu2 F24 N8 O12 -","2","1","","N. A. Artiukhova; G. V. Romanenko; A. S. Bogomyakov; I. Yu. Barskaya; S. L. Veber; M. V. Fedin; K. Yu. Maryunina; K. Inoue; V. I. Ovcharenko","Cu(ii) complex with nitronyl nitroxide whose paramagnetism is suppressed by temperature decrease and/or pressure increase","Journal of Materials Chemistry C","2016","4","","11157","11163","10.1039/C6TC03216H","","","0.71073","MoKα","","0.1822","0.0549","","","0.1385","0.1855","","","","","","0.909","","","","has coordinates,has disorder","227875","2020-10-21","18:00:00",""
"7235130","13.481","0.002","14.38","0.002","16.521","0.003","90","","111.68","0.007","90","","2976.2","0.8","110","2","110","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C26 H25 Cu F12 N4 O6 -","- C26 H25 Cu F12 N4 O6 -","- C104 H100 Cu4 F48 N16 O24 -","4","1","","N. A. Artiukhova; G. V. Romanenko; A. S. Bogomyakov; I. Yu. Barskaya; S. L. Veber; M. V. Fedin; K. Yu. Maryunina; K. Inoue; V. I. Ovcharenko","Cu(ii) complex with nitronyl nitroxide whose paramagnetism is suppressed by temperature decrease and/or pressure increase","Journal of Materials Chemistry C","2016","4","","11157","11163","10.1039/C6TC03216H","","","0.71073","MoKα","","0.1474","0.068","","","0.1558","0.1989","","","","","","1.043","","","","has coordinates,has disorder","227875","2020-10-21","18:00:00",""
"7235131","8.1795","0.0004","11.5234","0.0006","8.0835","0.0004","90","","90","","90","","761.92","0.07","100","2","100","2","","","","","","","","5","P n m a","-P 2ac 2n","62","methylammonium formato nickel(ii)","","","- C4 H9 N Ni O6 -","- C4 H9 N Ni O6 -","- C16 H36 N4 Ni4 O24 -","4","0.5","","B. Pato-Doldan; L. C. Gomez-Aguirre; A. P. Hansen; J. Mira; S. Castro-Garcia; M. Sanchez-Andujar; M. A. Senaris-Rodriguez; V. S. Zapf; J. Singleton","Magnetic transitions and isotropic versus anisotropic magnetic behaviour of [CH3NH3][M(HCOO)3] M = Mn2+, Co2+, Ni2+, Cu2+ metal-organic perovskites","Journal of Materials Chemistry C","2016","4","","11164","11172","10.1039/C6TC03992H","","","0.71073","MoKα","","0.0271","0.0215","","","0.0605","0.0661","","","","","","0.807","","","","has coordinates","227876","2020-10-21","18:00:00",""
"7235132","18.4219","0.0009","16.0449","0.0008","18.5278","0.0009","90","","112.218","0.002","90","","5069.8","0.4","200","2","200","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C48 H60 Ir Mo4 N5 O13 -","- C48 H60 Ir Mo4 N5 O13 -","- C192 H240 Ir4 Mo16 N20 O52 -","4","1","","P. Bolle; H. Serier-Brault; R. Genois; E. Faulques; A. Boulmier; O. Oms; M. Lepeltier; J. Marrot; A. Dolbecq; P. Mialane; R. Dessapt","Drastic solid-state luminescence color tuning of an archetypal Ir(iii) complex using polyoxometalates and its application as a vapoluminescence chemosensor","Journal of Materials Chemistry C","2016","4","","11392","11395","10.1039/C6TC04341K","","","0.71073","MoKα","","0.0906","0.0679","","","0.1457","0.1737","","","","","","1.228","","","","has coordinates,has disorder","227877","2020-10-21","18:00:00",""
"7235133","12.3566","0.0013","13.4083","0.0015","21.918","0.003","90","","92.173","0.005","90","","3628.8","0.7","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C72 H66 Ir2 Mo4 N8 O18 -","- C72 H66 Ir2 Mo4 N8 O18 -","- C144 H132 Ir4 Mo8 N16 O36 -","2","0.5","","P. Bolle; H. Serier-Brault; R. Genois; E. Faulques; A. Boulmier; O. Oms; M. Lepeltier; J. Marrot; A. Dolbecq; P. Mialane; R. Dessapt","Drastic solid-state luminescence color tuning of an archetypal Ir(iii) complex using polyoxometalates and its application as a vapoluminescence chemosensor","Journal of Materials Chemistry C","2016","4","","11392","11395","10.1039/C6TC04341K","","","0.71073","MoKα","","0.0305","0.0227","","","0.0573","0.0627","","","","","","0.847","","","","has coordinates","227878","2020-10-21","18:00:00",""
"7235134","39.372","0.004","13.8234","0.0012","29.806","0.003","90","","125.343","0.004","90","","13232","2","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C128 H96 Ir4 Mo8 N16 O26 -","- C128 H96 Ir4 Mo8 N16 O26 -","- C512 H384 Ir16 Mo32 N64 O104 -","4","0.5","","P. Bolle; H. Serier-Brault; R. Genois; E. Faulques; A. Boulmier; O. Oms; M. Lepeltier; J. Marrot; A. Dolbecq; P. Mialane; R. Dessapt","Drastic solid-state luminescence color tuning of an archetypal Ir(iii) complex using polyoxometalates and its application as a vapoluminescence chemosensor","Journal of Materials Chemistry C","2016","4","","11392","11395","10.1039/C6TC04341K","","","0.71073","MoKα","","0.187","0.0941","","","0.2007","0.2421","","","","","","1.116","","","","has coordinates","227879","2020-10-21","18:00:00",""
"7235135","15.2896","0.0002","15.2896","0.0002","15.6713","0.0004","90","","90","","120","","3172.69","0.1","296","2","296","2","","","","","","","","6","P -3 c 1","-P 3 2""c","165","","","","- C66 H48 Ir2 N6 O19 W6 -","- C66 H48 Ir2 N6 O19 W6 -","- C132 H96 Ir4 N12 O38 W12 -","2","0.166667","","P. Bolle; H. Serier-Brault; R. Genois; E. Faulques; A. Boulmier; O. Oms; M. Lepeltier; J. Marrot; A. Dolbecq; P. Mialane; R. Dessapt","Drastic solid-state luminescence color tuning of an archetypal Ir(iii) complex using polyoxometalates and its application as a vapoluminescence chemosensor","Journal of Materials Chemistry C","2016","4","","11392","11395","10.1039/C6TC04341K","","","0.71073","MoKα","","0.0453","0.0361","","","0.0982","0.1046","","","","","","1.115","","","","has coordinates","227880","2020-10-21","18:00:00",""
"7235136","8.6563","0.0009","9.064","0.0009","13.2673","0.0013","106.62","0.001","92.775","0.001","100.439","0.001","975.4","0.17","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C17 H19 Cd N5 O5 S -","- C17 H19 Cd N5 O5 S -","- C34 H38 Cd2 N10 O10 S2 -","2","1","","Ying-Jiao Yang; Meng-Jie Wang; Kou-Lin Zhang","A novel photoluminescent Cd(ii)-organic framework exhibiting rapid and efficient multi-responsive fluorescence sensing for trace amounts of Fe3+ ions and some NACs, especially for 4-nitroaniline and 2-methyl-4-nitroaniline","Journal of Materials Chemistry C","2016","4","","11404","11418","10.1039/C6TC04195G","","","0.71073","MoKα","","0.039","0.0383","","","0.1043","0.105","","","","","","1.075","","","","has coordinates","227882","2020-10-21","18:00:00",""
"7235137","9.224","0.005","15.412","0.008","16.217","0.008","90","","99.827","0.014","90","","2272","2","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C28 H28 B N -","- C28 H28 B N -","- C112 H112 B4 N4 -","4","1","","Kalluvettukuzhy K. Neena; Pakkirisamy Thilagar","Replacing the non-polarized C[double bond, length as m-dash]C bond with an isoelectronic polarized B-N unit for the design and development of smart materials","Journal of Materials Chemistry C","2016","4","","11465","11473","10.1039/C6TC04470K","","","0.71073","MoKα","","0.0889","0.0675","","","0.1858","0.2023","","","","","","1.042","","","","has coordinates","227883","2020-10-21","18:00:00",""
"7235138","9.418","0.004","15.613","0.006","16.741","0.007","90","","94.846","0.011","90","","2452.9","1.7","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C30 H32 B N -","- C30 H32 B N -","- C120 H128 B4 N4 -","4","1","","Kalluvettukuzhy K. Neena; Pakkirisamy Thilagar","Replacing the non-polarized C[double bond, length as m-dash]C bond with an isoelectronic polarized B-N unit for the design and development of smart materials","Journal of Materials Chemistry C","2016","4","","11465","11473","10.1039/C6TC04470K","","","0.71073","MoKα","","0.0969","0.0662","","","0.1914","0.2148","","","","","","0.962","","","","has coordinates","227883","2020-10-21","18:00:00",""
"7235139","17.373","0.003","9.3612","0.0014","18.579","0.003","90","","113.262","0.007","90","","2775.9","0.8","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C32 H37 B N2 -","- C32 H37 B N2 -","- C128 H148 B4 N8 -","4","1","","Kalluvettukuzhy K. Neena; Pakkirisamy Thilagar","Replacing the non-polarized C[double bond, length as m-dash]C bond with an isoelectronic polarized B-N unit for the design and development of smart materials","Journal of Materials Chemistry C","2016","4","","11465","11473","10.1039/C6TC04470K","","","0.71073","MoKα","","0.0889","0.049","","","0.1214","0.1374","","","","","","0.966","","","","has coordinates","227883","2020-10-21","18:00:00",""
"7235140","20.5005","0.0012","12.535","0.0007","14.2586","0.0008","90","","105.861","0.002","90","","3524.6","0.3","295","2","295","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C17 H21 B0.5 N1.5 -","- C17 H21 B0.5 N1.5 -","- C136 H168 B4 N12 -","8","1","","Kalluvettukuzhy K. Neena; Pakkirisamy Thilagar","Replacing the non-polarized C[double bond, length as m-dash]C bond with an isoelectronic polarized B-N unit for the design and development of smart materials","Journal of Materials Chemistry C","2016","4","","11465","11473","10.1039/C6TC04470K","","","0.71073","MoKα","","0.0929","0.061","","","0.1691","0.1821","","","","","","1.128","","","","has coordinates","227883","2020-10-21","18:00:00",""
"7236027","12.675","0.002","14.423","0.003","9.5745","0.0017","90","","100.568","0.003","90","","1720.6","0.5","296","2","296","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C8 H28 Al12 Mg4 N4 O73 P16 -","- C8 H28 Al12 Mg4 N4 O73 P16 -","- C8 H28 Al12 Mg4 N4 O73 P16 -","1","0.25","","Jiao, Xuejiao; Wang, Yanyan; Mu, Ying; Sun, Yanjun; Li, Jiyang","A new magnesium-containing aluminophosphate with a zeolite-like structure","RSC Advances","2016","6","2","1098","","10.1039/C5RA22194C","","","0.71073","MoKα","","0.0754","0.0487","","","0.1287","0.1461","","","","","","0.992","","","","has coordinates","233846","2020-10-21","18:00:00",""
"7236029","15.92","0.0007","11.6967","0.0005","15.9254","0.0006","90","","104.515","0.0015","90","","2870.8","0.2","100","","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","[Fe(p-hydrocoumaric hydroxamate)3]","","","- C27 H34 Fe N3 O11 -","- C27 H34 Fe N3 O11 -","- C108 H136 Fe4 N12 O44 -","4","1","","Orlowska, Ewelina; Roller, Alexander; Wiesinger, Hubert; Pignitter, Marc; Jirsa, Franz; Krachler, Regina; Kandioller, Wolfgang; Keppler, Bernhard K.","Benzoic hydroxamate-based iron complexes as model compounds for humic substances: synthesis, characterization and algal growth experiments","RSC Advances","2016","6","46","40238","","10.1039/C5RA25256C","","","0.71073","MoKα","","0.0462","0.0446","","","0.1087","0.1097","","","","","","1.183","","","","has coordinates,has disorder","233852","2020-10-21","18:00:00",""
"7236030","12.4686","0.0006","11.1309","0.0005","17.4694","0.001","90","","94.456","0.003","90","","2417.2","0.2","100","","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","[Fe2(hypogallic hydroxamate)4Cl2]","","","- C38 H52 Cl2 Fe2 N4 O20 -","- C38 H52 Cl2 Fe2 N4 O20 -","- C76 H104 Cl4 Fe4 N8 O40 -","2","0.5","","Orlowska, Ewelina; Roller, Alexander; Wiesinger, Hubert; Pignitter, Marc; Jirsa, Franz; Krachler, Regina; Kandioller, Wolfgang; Keppler, Bernhard K.","Benzoic hydroxamate-based iron complexes as model compounds for humic substances: synthesis, characterization and algal growth experiments","RSC Advances","2016","6","46","40238","","10.1039/C5RA25256C","","","0.71073","MoKα","","0.0802","0.0498","","","0.1086","0.1202","","","","","","1.057","","","","has coordinates,has disorder","233852","2020-10-21","18:00:00",""
"7236031","11.1864","0.0004","21.2415","0.0007","25.3894","0.0009","90","","90","","90","","6032.9","0.4","100","","100","","","","","","","","","5","P b c a","-P 2ac 2ab","61","[Fe(3-hydroxybenzoic hydroxamate)3]","","","- C27 H30 Fe N3 O11 -","- C27 H30 Fe N3 O11 -","- C216 H240 Fe8 N24 O88 -","8","1","","Orlowska, Ewelina; Roller, Alexander; Wiesinger, Hubert; Pignitter, Marc; Jirsa, Franz; Krachler, Regina; Kandioller, Wolfgang; Keppler, Bernhard K.","Benzoic hydroxamate-based iron complexes as model compounds for humic substances: synthesis, characterization and algal growth experiments","RSC Advances","2016","6","46","40238","","10.1039/C5RA25256C","","","0.71073","MoKα","","0.0642","0.048","","","0.1104","0.1162","","","","","","1.074","","","","has coordinates","233852","2020-10-21","18:00:00",""
"7236032","23.1974","0.0008","13.7678","0.0008","22.332","0.0011","90","","109.575","0.003","90","","6720.1","0.6","100","","100","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","[Fe(salicylic hydroxamate)3]","","","- C25.5 H27 Fe N3 O10.5 -","- C25.5 H27 Fe N3 O10.5 -","- C204 H216 Fe8 N24 O84 -","8","1","","Orlowska, Ewelina; Roller, Alexander; Wiesinger, Hubert; Pignitter, Marc; Jirsa, Franz; Krachler, Regina; Kandioller, Wolfgang; Keppler, Bernhard K.","Benzoic hydroxamate-based iron complexes as model compounds for humic substances: synthesis, characterization and algal growth experiments","RSC Advances","2016","6","46","40238","","10.1039/C5RA25256C","","","0.71073","MoKα","","0.1097","0.0898","","","0.2531","0.2701","","","","","","1.084","","","","has coordinates","233852","2020-10-21","18:00:00",""
"7236033","16.0853","0.0015","28.696","0.003","7.0062","0.0006","90","","96.758","0.003","90","","3211.5","0.5","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","[Fe(cinammic hydroxamate)3]","","","- C28.8 H30.2 Fe N3 O7.3 -","- C28.8 H30.2 Fe N3 O7.3 -","- C115.2 H120.8 Fe4 N12 O29.2 -","4","1","","Orlowska, Ewelina; Roller, Alexander; Wiesinger, Hubert; Pignitter, Marc; Jirsa, Franz; Krachler, Regina; Kandioller, Wolfgang; Keppler, Bernhard K.","Benzoic hydroxamate-based iron complexes as model compounds for humic substances: synthesis, characterization and algal growth experiments","RSC Advances","2016","6","46","40238","","10.1039/C5RA25256C","","","0.71073","MoKα","","0.1101","0.0729","","","0.1747","0.1899","","","","","","1.105","","","","has coordinates,has disorder","233852","2020-10-21","18:00:00",""
"7236034","12.0485","0.0007","13.291","0.0007","13.4446","0.0007","69.9928","0.0019","78.6474","0.0019","68.339","0.002","1874.03","0.18","100","","100","","","","","","","","","5","P -1","-P 1","2","[Fe(eudesmic hydroxamate)3]","","","- C30 H44 Fe N3 O19 -","- C30 H44 Fe N3 O19 -","- C60 H88 Fe2 N6 O38 -","2","1","","Orlowska, Ewelina; Roller, Alexander; Wiesinger, Hubert; Pignitter, Marc; Jirsa, Franz; Krachler, Regina; Kandioller, Wolfgang; Keppler, Bernhard K.","Benzoic hydroxamate-based iron complexes as model compounds for humic substances: synthesis, characterization and algal growth experiments","RSC Advances","2016","6","46","40238","","10.1039/C5RA25256C","","","0.71073","MoKα","","0.0896","0.06","","","0.1507","0.1622","","","","","","1.042","","","","has coordinates","233852","2020-10-21","18:00:00",""
"7236035","17.1427","0.0014","14.5854","0.0013","17.4812","0.0014","90","0.002","100.604","0.002","90","0.002","4296.2","0.6","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C44 H53 Fe N4 O6 -","- C44 H53 Fe N4 O6 -","- C176 H212 Fe4 N16 O24 -","4","1","","Sutradhar, Manas; Alegria, Elisabete C. B. A.; Mahmudov, Kamran T.; Guedes da Silva, M. Fátima C.; Pombeiro, Armando J. L.","Iron(iii) and cobalt(iii) complexes with both tautomeric (keto and enol) forms of aroylhydrazone ligands: catalysts for the microwave assisted oxidation of alcohols","RSC Advances","2016","6","10","8079","","10.1039/C5RA25774C","","","0.71069","MoKα","","0.1924","0.0705","","","0.1486","0.1778","","","","","","0.858","","","","has coordinates,has disorder","233854","2020-10-21","18:00:00",""
"7236036","18.5211","0.001","11.1131","0.0006","12.9945","0.0006","90","","90","","90","","2674.6","0.2","150","2","150","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C30 H27 Co N4 O9 -","- C30 H27 Co N4 O9 -","- C120 H108 Co4 N16 O36 -","4","1","","Sutradhar, Manas; Alegria, Elisabete C. B. A.; Mahmudov, Kamran T.; Guedes da Silva, M. Fátima C.; Pombeiro, Armando J. L.","Iron(iii) and cobalt(iii) complexes with both tautomeric (keto and enol) forms of aroylhydrazone ligands: catalysts for the microwave assisted oxidation of alcohols","RSC Advances","2016","6","10","8079","","10.1039/C5RA25774C","","","0.71069","MoKα","","0.0694","0.0431","","","0.0852","0.0946","","","","","","1.025","","","","has coordinates","233854","2020-10-21","18:00:00",""
"7236037","8.9865","0.0009","9.5514","0.0007","14.1428","0.0012","90","","90.203","0.001","90","","1213.92","0.18","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H12 N2 O4 -","- C14 H12 N2 O4 -","- C56 H48 N8 O16 -","4","1","","Sutradhar, Manas; Alegria, Elisabete C. B. A.; Mahmudov, Kamran T.; Guedes da Silva, M. Fátima C.; Pombeiro, Armando J. L.","Iron(iii) and cobalt(iii) complexes with both tautomeric (keto and enol) forms of aroylhydrazone ligands: catalysts for the microwave assisted oxidation of alcohols","RSC Advances","2016","6","10","8079","","10.1039/C5RA25774C","","","0.71073","MoKα","","0.0557","0.0381","","","0.1076","0.1223","","","","","","1.005","","","","has coordinates","233854","2020-10-21","18:00:00",""
"7236038","25.1433","0.0007","25.1433","0.0007","10.6879","0.0003","90","","90","","90","","6756.7","0.3","120","2","120","2","","","","","","","","5","I -4 2 d","I -4 2bw","122","","","","- C30 H24 Co N6 O6 -","- C30 H24 Co N6 O6 -","- C240 H192 Co8 N48 O48 -","8","0.5","","Bhattacharya, Sudeshna; Bala, Sukhen; Mondal, Raju","Design of chiral Co(ii)-MOFs and their application in environmental remediation and waste water treatment","RSC Advances","2016","6","30","25149","","10.1039/C5RA26154F","","","0.71073","MoKα","","0.0464","0.0414","","","0.112","0.1174","","","","","","1.073","","","","has coordinates","233857","2020-10-21","18:00:00",""
"7236039","14.5169","0.0009","9.0637","0.0006","18.5938","0.0012","90","","90.689","0.002","90","","2446.3","0.3","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H18 Co N3 O9 -","- C24 H18 Co N3 O9 -","- C96 H72 Co4 N12 O36 -","4","1","","Bhattacharya, Sudeshna; Bala, Sukhen; Mondal, Raju","Design of chiral Co(ii)-MOFs and their application in environmental remediation and waste water treatment","RSC Advances","2016","6","30","25149","","10.1039/C5RA26154F","","","0.71073","MoKα","","0.1978","0.1178","","","0.2818","0.328","","","","","","1.434","","","","has coordinates","233857","2020-10-21","18:00:00",""
"7236040","8.449","0.0005","8.449","0.0005","57.241","0.003","90","","90","","120","","3538.7","0.3","120","2","120","2","","","","","","","","5","P 61 2 2","P 61 2 (0 0 5)","178","","","","- C24 H22 Co N6 O7 -","- C24 H22 Co N6 O7 -","- C144 H132 Co6 N36 O42 -","6","0.5","","Bhattacharya, Sudeshna; Bala, Sukhen; Mondal, Raju","Design of chiral Co(ii)-MOFs and their application in environmental remediation and waste water treatment","RSC Advances","2016","6","30","25149","","10.1039/C5RA26154F","","","0.71073","MoKα","","0.1036","0.0658","","","0.1483","0.1729","","","","","","1.111","","","","has coordinates","233857","2020-10-21","18:00:00",""
"7236041","26.393","0.004","11.0092","0.0015","24.857","0.005","90","","118.483","0.004","90","","6348.4","1.8","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C25 H14 Co F6 N3 O5 -","- C25 H13 Co F6 N3 O5 -","- C200 H104 Co8 F48 N24 O40 -","8","1","","Bhattacharya, Sudeshna; Bala, Sukhen; Mondal, Raju","Design of chiral Co(ii)-MOFs and their application in environmental remediation and waste water treatment","RSC Advances","2016","6","30","25149","","10.1039/C5RA26154F","","","0.71073","MoKα","","0.1658","0.1006","","","0.265","0.3034","","","","","","1.945","","","","has coordinates,has disorder","233857","2020-10-21","18:00:00",""
"7236042","16.7245","0.001","11.3341","0.0006","9.6962","0.0005","90","","105.028","0.005","90","","1775.12","0.17","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C21 H16 N2 O3 -","- C21 H16 N2 O3 -","- C84 H64 N8 O12 -","4","1","","Pandey, Abha; Kumar, Ajit; Vishwakarma, Siddharth; Upadhyay, K. K.","A highly specific ‘turn-on’ fluorescent detection of Mg2+ through a xanthene based fluorescent molecular probe","RSC Advances","2016","6","8","6724","","10.1039/C5RA26531B","","","0.71073","MoKα","","0.0856","0.0515","","","0.1104","0.1321","","","","","","1.053","","","","has coordinates","233859","2020-10-21","18:00:00",""
"7236043","14.1362","0.0007","14.3909","0.0005","18.0057","0.0008","66.933","0.004","67.968","0.004","89.57","0.003","3081.9","0.3","120","0.1","120","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C17 H13 F3 N4 O -","- C17 H13 F3 N4 O -","- C136 H104 F24 N32 O8 -","8","4","","Sosnovskikh, Vyacheslav Y.; Safrygin, Alexander V.; Irgashev, Roman A.; Ezhikova, Marina A.; Kodess, Mikhail I.","Synthesis of 4-arylamino-3-(trifluoromethyl)pyridazines and pyridazino[3,4-b]quinoxalines (as by-products) from 3-aroylmethyl-2-(trifluoromethyl)quinoxalines and hydrazine hydrate","RSC Advances","2016","6","36","30056","","10.1039/C5RA27032D","","","0.7107","MoKα","","0.081","0.0497","","","0.1046","0.1225","","","","","","1.026","","","","has coordinates,has disorder","233861","2020-10-21","18:00:00",""
"7236044","11.0546","0.0015","19.664","0.003","17.9966","0.0016","90","","105.746","0.01","90","","3765.3","0.9","295","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C19 H17 F3 N5 O -","- C19 H17 F3 N5 O -","- C152 H136 F24 N40 O8 -","8","1","","Sosnovskikh, Vyacheslav Y.; Safrygin, Alexander V.; Irgashev, Roman A.; Ezhikova, Marina A.; Kodess, Mikhail I.","Synthesis of 4-arylamino-3-(trifluoromethyl)pyridazines and pyridazino[3,4-b]quinoxalines (as by-products) from 3-aroylmethyl-2-(trifluoromethyl)quinoxalines and hydrazine hydrate","RSC Advances","2016","6","36","30056","","10.1039/C5RA27032D","","","0.71073","MoKα","","0.1291","0.0406","","","0.0686","0.0729","","","","","","1.012","","","","has coordinates","233861","2020-10-21","18:00:00",""
"7236121","9.9843","0.0011","12.0891","0.0013","21.21","0.002","81.7599","0.0014","81.9494","0.0014","73.6137","0.0013","2417.3","0.4","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C79 H18 O2 S6 -","- C79 H18 O2 S6 -","- C158 H36 O4 S12 -","2","1","","Huang, Shaohua; Zhang, Guangye; Knutson, Nicholas S.; Fontana, Matthew T.; Huber, Rachel C.; Ferreira, Amy S.; Tolbert, Sarah H.; Schwartz, Benjamin J.; Rubin, Yves","Beyond PCBM: methoxylated 1,4-bisbenzyl[60]fullerene adducts for efficient organic solar cells","Journal of Materials Chemistry A","2016","4","2","416","","10.1039/C5TA07688A","","","0.71073","MoKα","","0.0876","0.0719","","","0.1799","0.1887","","","","","","1.131","","","","has coordinates,has disorder","233935","2020-10-21","18:00:00",""
"7236122","22.5676","0.0011","10.4737","0.0005","19.3379","0.001","90","","91.007","0.004","90","","4570.1","0.4","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C79 H22 O4 S2 -","- C79 H22 O4 S2 -","- C316 H88 O16 S8 -","4","1","","Huang, Shaohua; Zhang, Guangye; Knutson, Nicholas S.; Fontana, Matthew T.; Huber, Rachel C.; Ferreira, Amy S.; Tolbert, Sarah H.; Schwartz, Benjamin J.; Rubin, Yves","Beyond PCBM: methoxylated 1,4-bisbenzyl[60]fullerene adducts for efficient organic solar cells","Journal of Materials Chemistry A","2016","4","2","416","","10.1039/C5TA07688A","","","1.54178","CuKα","","0.1405","0.0853","","","0.1937","0.222","","","","","","1.023","","","","has coordinates","233935","2020-10-21","18:00:00",""
"7236123","7.864","0.003","10.055","0.004","15.262","0.006","73.795","0.006","81.426","0.007","81.877","0.007","1139.6","0.8","273","2","273","2","","","","","","","","4","P -1","-P 1","2","","","","- C22 H30 N4 O8 -","- C22 H30 N4 O8 -","- C44 H60 N8 O16 -","2","1","","Bera, Santu; Haldar, Debasish","A rechargeable self-healing safety fuel gel","Journal of Materials Chemistry A","2016","4","18","6933","","10.1039/C5TA08010J","","","0.71073","MoKα","","0.08","0.0455","","","0.1165","0.1506","","","","","","0.779","","","","has coordinates","233937","2020-10-21","18:00:00",""
"7236124","18.5126","0.0012","18.5126","0.0012","22.922","0.003","90","","90","","90","","7855.7","1.3","296","2","296","2","","","","","","","","6","I -4 2 m","I -4 2","121","","","","- C27 H36.5 N3 Ni1.5 O12.25 P3 -","- C27 H27.5 N3 Ni1.5 O12.25 P3 -","- C216 H220 N24 Ni12 O98 P24 -","8","0.5","","Zhao, Xuebo; Bell, Jon G.; Tang, Si-Fu; Li, Liangjun; Thomas, K. Mark","Kinetic molecular sieving, thermodynamic and structural aspects of gas/vapor sorption on metal organic framework [Ni1.5(4,4′-bipyridine)1.5(H3L)(H2O)3][H2O]7 where H6L = 2,4,6-trimethylbenzene-1,3,5-triyl tris(methylene)triphosphonic acid","Journal of Materials Chemistry A","2016","4","4","1353","","10.1039/C5TA08261G","","","0.71073","MoKα","","0.1179","0.0585","","","0.1313","0.1468","","","","","","0.857","","","","has coordinates","233940","2020-10-21","18:00:00",""
"7236125","18.5564","0.0016","18.5564","0.0016","22.937","0.004","90","","90","","90","","7898.1","1.7","296","2","296","2","","","","","","","","6","I -4 2 m","I -4 2","121","","","","- C27 H37 N3 Ni1.5 O12.5 P3 -","- C27 H27.5 N3 Ni1.5 O12.5 P3 -","- C216 H220 N24 Ni12 O100 P24 -","8","0.5","","Zhao, Xuebo; Bell, Jon G.; Tang, Si-Fu; Li, Liangjun; Thomas, K. Mark","Kinetic molecular sieving, thermodynamic and structural aspects of gas/vapor sorption on metal organic framework [Ni1.5(4,4′-bipyridine)1.5(H3L)(H2O)3][H2O]7 where H6L = 2,4,6-trimethylbenzene-1,3,5-triyl tris(methylene)triphosphonic acid","Journal of Materials Chemistry A","2016","4","4","1353","","10.1039/C5TA08261G","","","0.71073","MoKα","","0.1402","0.0856","","","0.1941","0.2226","","","","","","1.025","","","","has coordinates","233940","2020-10-21","18:00:00",""
"7236126","31.535","0.0002","31.535","0.0002","31.535","0.0002","90","","90","","90","","31360.2","0.3","298","2","298","2","","","","","","","","7","I a -3 d","-I 4bd 2c 3","230","","","","- C108 H88 Mo24 N24 O82 P2 Zn3 -","- C108 H84 Mo24 N24 O80 P2 Zn3 -","- C864 H672 Mo192 N192 O640 P16 Zn24 -","8","0.0833333","","Yang, Xiaojian; Feng, Xiaojia; Tan, Huaqiao; Zang, Hongying; Wang, Xinlong; Wang, Yonghui; Wang, Enbo; Li, Yangguang","N-Doped graphene-coated molybdenum carbide nanoparticles as highly efficient electrocatalysts for the hydrogen evolution reaction","Journal of Materials Chemistry A","2016","4","10","3947","","10.1039/C5TA09507G","","","0.71073","MoKα","","0.0814","0.0715","","","0.1245","0.129","","","","","","1.086","","","","has coordinates,has disorder","233942","2020-10-21","18:00:00",""
"7236127","13.7949","0.0005","18.8786","0.0006","19.6726","0.0008","90","","105.417","0.004","90","","4938.9","0.3","298","2","298","2","","","","","","","","8","P 1 21/m 1","-P 2yb","11","","","","- C64 H84 Cl Mo13 N17 O48 P Zn3 -","- C64 H40 Cl Mo13 N17 O45 P Zn3 -","- C128 H80 Cl2 Mo26 N34 O90 P2 Zn6 -","2","0.5","","Yang, Xiaojian; Feng, Xiaojia; Tan, Huaqiao; Zang, Hongying; Wang, Xinlong; Wang, Yonghui; Wang, Enbo; Li, Yangguang","N-Doped graphene-coated molybdenum carbide nanoparticles as highly efficient electrocatalysts for the hydrogen evolution reaction","Journal of Materials Chemistry A","2016","4","10","3947","","10.1039/C5TA09507G","","","0.71073","MoKα","","0.072","0.0468","","","0.1146","0.1295","","","","","","1.082","","","","has coordinates,has disorder","233942","2020-10-21","18:00:00",""
"7236128","16.562","0.009","5.114","0.003","25.032","0.014","90","","90","","90","","2120","2","150","2","150","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C5 H4 N8 O7 -","- C5 H4 N8 O7 -","- C40 H32 N64 O56 -","8","2","","Tang, Yongxing; He, Chunlin; Mitchell, Lauren A.; Parrish, Damon A.; Shreeve, Jean'ne M.","C‒N bonded energetic biheterocyclic compounds with good detonation performance and high thermal stability","Journal of Materials Chemistry A","2016","4","10","3879","","10.1039/C5TA09803C","","","0.71073","MoKα","","0.1055","0.0447","","","0.077","0.0984","","","","","","0.894","","","","has coordinates,has disorder","233944","2020-10-21","18:00:00",""
"7236129","9.1184","0.0006","5.8156","0.0004","18.7848","0.001","90","","91.848","0.005","90","","995.62","0.11","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H18 Br2 Ge2 O6 -","- C18 H18 Br2 Ge2 O6 -","- C36 H36 Br4 Ge4 O12 -","2","0.5","","Kitschke, Philipp; Walter, Marc; Rüffer, Tobias; Seifert, Andreas; Speck, Florian; Seyller, Thomas; Spange, Stefan; Lang, Heinrich; Auer, Alexander A.; Kovalenko, Maksym V.; Mehring, Michael","Porous Ge@C materials via twin polymerization of germanium(ii) salicyl alcoholates for Li-ion batteries","Journal of Materials Chemistry A","2016","4","7","2705","","10.1039/C5TA09891B","","","0.71073","MoKα","","0.0589","0.0398","","","0.0891","0.0927","","","","","","0.916","","","","has coordinates","233946","2020-10-21","18:00:00",""
"7236130","11.5755","0.0003","16.1191","0.001","11.8463","0.0004","90","","110.168","0.004","90","","2074.83","0.16","100","","100","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C21 H18 Ge3 O6 -","- C21 H18 Ge3 O6 -","- C84 H72 Ge12 O24 -","4","1","","Kitschke, Philipp; Walter, Marc; Rüffer, Tobias; Seifert, Andreas; Speck, Florian; Seyller, Thomas; Spange, Stefan; Lang, Heinrich; Auer, Alexander A.; Kovalenko, Maksym V.; Mehring, Michael","Porous Ge@C materials via twin polymerization of germanium(ii) salicyl alcoholates for Li-ion batteries","Journal of Materials Chemistry A","2016","4","7","2705","","10.1039/C5TA09891B","","","1.54184","CuKα","","0.0366","0.0345","","","0.0909","0.093","","","","","","1.031","","","","has coordinates","233946","2020-10-21","18:00:00",""
"7236131","5.04","0.0008","5.7142","0.0006","13.393","0.002","78.607","0.011","81.131","0.014","89.16","0.011","373.54","0.09","110","","110","","","","","","","","","4","P -1","-P 1","2","","","","- C16 H16 Ge2 O4 -","- C16 H16 Ge2 O4 -","- C16 H16 Ge2 O4 -","1","0.5","","Kitschke, Philipp; Walter, Marc; Rüffer, Tobias; Seifert, Andreas; Speck, Florian; Seyller, Thomas; Spange, Stefan; Lang, Heinrich; Auer, Alexander A.; Kovalenko, Maksym V.; Mehring, Michael","Porous Ge@C materials via twin polymerization of germanium(ii) salicyl alcoholates for Li-ion batteries","Journal of Materials Chemistry A","2016","4","7","2705","","10.1039/C5TA09891B","","","0.71073","MoKα","","0.062","0.0597","","","0.1783","0.1798","","","","","","1.104","","","","has coordinates","233946","2020-10-21","18:00:00",""
"7236132","14.4998","0.0003","14.4998","0.0003","14.6335","0.0006","90","","90","","90","","3076.61","0.15","110","","110","","","","","","","","","4","I -4","I -4","82","","","","- C61 H60 Ge8 O16 -","- C61 H60 Ge8 O16 -","- C122 H120 Ge16 O32 -","2","0.25","","Kitschke, Philipp; Walter, Marc; Rüffer, Tobias; Seifert, Andreas; Speck, Florian; Seyller, Thomas; Spange, Stefan; Lang, Heinrich; Auer, Alexander A.; Kovalenko, Maksym V.; Mehring, Michael","Porous Ge@C materials via twin polymerization of germanium(ii) salicyl alcoholates for Li-ion batteries","Journal of Materials Chemistry A","2016","4","7","2705","","10.1039/C5TA09891B","","","0.71073","MoKα","","0.0235","0.0219","","","0.0458","0.0463","","","","","","1.041","","","","has coordinates","233946","2020-10-21","18:00:00",""
"7236133","9.1162","0.0006","7.8445","0.0005","14.193","0.0009","90","","104.811","0.002","90","","981.25","0.11","100","","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C5 H9 N9 O3 -","- C5 H9 N9 O3 -","- C20 H36 N36 O12 -","4","1","","Yin, Ping; He, Chunlin; Shreeve, Jean'ne M.","Fused heterocycle-based energetic salts: alliance of pyrazole and 1,2,3-triazole","Journal of Materials Chemistry A","2016","4","4","1514","","10.1039/C5TA09999D","","x-ray","0.71073","MoKα","","0.0479","0.0354","","","0.0824","0.0882","","","","","","1.052","","","","has coordinates","233948","2020-10-21","18:00:00",""
"7236134","21.0998","0.0014","3.843","0.0003","25.414","0.002","90","","93.027","0.002","90","","2057.9","0.3","100","","100","","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","","","- C5 H10 N10 O3 -","- C5 H10 N10 O3 -","- C40 H80 N80 O24 -","8","1","","Yin, Ping; He, Chunlin; Shreeve, Jean'ne M.","Fused heterocycle-based energetic salts: alliance of pyrazole and 1,2,3-triazole","Journal of Materials Chemistry A","2016","4","4","1514","","10.1039/C5TA09999D","","x-ray","0.71073","MoKα","","0.0554","0.0391","","","0.082","0.0887","","","","","","1.111","","","","has coordinates","233948","2020-10-21","18:00:00",""
"7236135","3.7431","0.0002","14.0603","0.0008","21.1275","0.0011","90","","93.387","0.003","90","","1109.98","0.1","180","2","180","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C12 H F8 N S -","- C12 H F8 N S -","- C48 H4 F32 N4 S4 -","4","1","","Kaur, Aman Preet; Casselman, Matthew D.; Elliott, Corrine F.; Parkin, Sean R.; Risko, Chad; Odom, Susan A.","Overcharge protection of lithium-ion batteries above 4 V with a perfluorinated phenothiazine derivative","Journal of Materials Chemistry A","2016","4","15","5410","","10.1039/C5TA10375D","","","1.54178","CuKα","","0.0488","0.0428","","","0.1003","0.1033","","","","","","1.079","","","","has coordinates","233950","2020-10-21","18:00:00",""
"7236136","15.9072","0.0011","5.9576","0.0004","16.081","0.001","90","","115.262","0.003","90","","1378.23","0.16","250","2","250","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C14 H5 F8 N S -","- C14 H5 F8 N S -","- C56 H20 F32 N4 S4 -","4","1","","Kaur, Aman Preet; Casselman, Matthew D.; Elliott, Corrine F.; Parkin, Sean R.; Risko, Chad; Odom, Susan A.","Overcharge protection of lithium-ion batteries above 4 V with a perfluorinated phenothiazine derivative","Journal of Materials Chemistry A","2016","4","15","5410","","10.1039/C5TA10375D","","","1.54178","CuKα","","0.0495","0.0407","","","0.1085","0.1158","","","","","","1.053","","","","has coordinates","233950","2020-10-21","18:00:00",""
"7236137","29.2116","0.0009","29.2116","0.0009","29.2116","0.0009","90","","90","","90","","24926.8","1.3","100","","150","","","","","","","","","5","F m -3 m","-F 4 2 3","225","","","","- C84 H52 Hf6 N18 O32 -","- C84 H52 Hf6 N18 O32 -","- C336 H208 Hf24 N72 O128 -","4","0.0208333","","Marshall, Ross J.; Hobday, Claire L.; Murphie, Colin F.; Griffin, Sarah L.; Morrison, Carole A.; Moggach, Stephen A.; Forgan, Ross S.","Amino acids as highly efficient modulators for single crystals of zirconium and hafnium metal‒organic frameworks","Journal of Materials Chemistry A","2016","4","18","6955","","10.1039/C5TA10401G","","x-ray","0.71073","MoKα","","0.0901","0.0739","","0.1729","0.1634","0.1729","","","","","","0.9884","","","","has coordinates","233952","2020-10-21","18:00:00",""
"7236138","26.74515","0.00008","26.74515","0.00008","26.74515","0.00008","90","","90","","90","","19130.9","0.1","120","","120","","","","","","","","","4","F m -3 m","-F 4 2 3","225","","","","- C84 H52 Hf6 O32 -","- C84 H52 Hf6 O32 -","- C336 H208 Hf24 O128 -","4","0.0208333","","Marshall, Ross J.; Hobday, Claire L.; Murphie, Colin F.; Griffin, Sarah L.; Morrison, Carole A.; Moggach, Stephen A.; Forgan, Ross S.","Amino acids as highly efficient modulators for single crystals of zirconium and hafnium metal‒organic frameworks","Journal of Materials Chemistry A","2016","4","18","6955","","10.1039/C5TA10401G","","x-ray","1.54178","CuKα","","0.0385","0.0373","","0.1017","0.1001","0.1017","","","","","","1.0529","","","","has coordinates","233952","2020-10-21","18:00:00",""
"7236139","16.7581","0.0007","18.8268","0.0009","38.9998","0.0018","90","","90","","90","","12304.5","1","100","2","100","2","","","","","","","","6","F d d d :2","-F 2uv 2vw","70","","VNU-15","","- C18 H21 Fe2 N2 O14 S2 -","- C18 H21 Fe2 N2 O14 S2 -","- C288 H336 Fe32 N32 O224 S32 -","16","0.5","","Tu, Thach N.; Phan, Nghi Q.; Vu, Thanh T.; Nguyen, Ha L.; Cordova, Kyle E.; Furukawa, Hiroyasu","High proton conductivity at low relative humidity in an anionic Fe-based metal‒organic framework","Journal of Materials Chemistry A","2016","4","10","3638","","10.1039/C5TA10467J","","","1.54178","CuKα","","0.0768","0.0547","","","0.1226","0.1324","","","","","","1.07","","","","has coordinates,has disorder","233954","2020-10-21","18:00:00",""
"7236140","12.9672","0.0005","4.22937","0.00014","24.0975","0.0008","90","","100.972","0.004","90","","1297.42","0.08","298","","298","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","BPY@PA","2,2'-bipyridinium-5,5'-diamino hydrogen Phosphate monohydreate","","- C10 H15 N4 O5 P -","- C10 H15 N4 O5 P -","- C40 H60 N16 O20 P4 -","4","1","","Shinde, Digambar Balaji; Aiyappa, Harshitha Barike; Bhadra, Mohitosh; Biswal, Bishnu P.; Wadge, Pritish; Kandambeth, Sharath; Garai, Bikash; Kundu, Tanay; Kurungot, Sreekumar; Banerjee, Rahul","A mechanochemically synthesized covalent organic framework as a proton-conducting solid electrolyte","Journal of Materials Chemistry A","2016","4","7","2682","","10.1039/C5TA10521H","","x-ray","0.71073","MoKα","","0.0555","0.0465","","","0.1138","0.1205","","","","","","1.084","","","","has coordinates","233956","2020-10-21","18:00:00",""
"7236141","8.6237","0.0009","8.9142","0.001","10.2301","0.0008","73.441","0.009","85.209","0.008","83.669","0.009","748.09","0.13","298","","298","","","","","","","","","5","P -1","-P 1","2","2,2'-bipyridinium-5-amino5'-ammonium bis-dihydrogen Phosphate","BiPy-PA","","- C10 H16 N4 O8 P2 -","- C10 H16 N4 O8 P2 -","- C20 H32 N8 O16 P4 -","2","1","","Shinde, Digambar Balaji; Aiyappa, Harshitha Barike; Bhadra, Mohitosh; Biswal, Bishnu P.; Wadge, Pritish; Kandambeth, Sharath; Garai, Bikash; Kundu, Tanay; Kurungot, Sreekumar; Banerjee, Rahul","A mechanochemically synthesized covalent organic framework as a proton-conducting solid electrolyte","Journal of Materials Chemistry A","2016","4","7","2682","","10.1039/C5TA10521H","","x-ray","0.71073","MoKα","","0.0507","0.0414","","","0.098","0.1066","","","","","","1.054","","","","has coordinates","233956","2020-10-21","18:00:00",""
"7236142","6.7212","0.0017","11.023","0.003","11.825","0.003","87.77","0.009","82.156","0.008","78.806","0.007","851.3","0.4","113","","113","","","","","","","","","4","P -1","-P 1","2","","","","- C4 H10 N8 O3 -","- C4 H10 N8 O3 -","- C16 H40 N32 O12 -","4","2","","Liu, Qiangqiang; Jin, Bo; Peng, Rufang; Guo, Zhicheng; Zhao, Jun; Zhang, Qingchun; Shang, Yu","Synthesis, characterization and properties of nitrogen-rich compounds based on cyanuric acid: a promising design in the development of new energetic materials","Journal of Materials Chemistry A","2016","4","13","4971","","10.1039/C5TA10688E","","","0.71075","MoKα","","0.0404","0.0338","","","0.0987","0.1059","","","","","","1.064","","","","has coordinates","233959","2020-10-21","18:00:00",""
"7236143","5.4748","0.0011","9.655","0.002","9.881","0.002","66.29","0.02","75.35","0.03","72.33","0.03","450.5","0.19","113","2","113","2","","","","","","","","4","P -1","-P 1","2","","","","- C4 H8 N8 O4 -","- C4 H8 N8 O4 -","- C8 H16 N16 O8 -","2","1","","Liu, Qiangqiang; Jin, Bo; Peng, Rufang; Guo, Zhicheng; Zhao, Jun; Zhang, Qingchun; Shang, Yu","Synthesis, characterization and properties of nitrogen-rich compounds based on cyanuric acid: a promising design in the development of new energetic materials","Journal of Materials Chemistry A","2016","4","13","4971","","10.1039/C5TA10688E","","","0.71075","MoKα","","0.0823","0.0729","","","0.1961","0.2125","","","","","","1.046","","","","has coordinates","233959","2020-10-21","18:00:00",""
"7236144","9.4591","0.0015","6.7214","0.001","9.6711","0.0015","90","","101.349","0.003","90","","602.85","0.16","113","2","113","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C3 H7 N5 O3 -","- C3 H7 N5 O3 -","- C12 H28 N20 O12 -","4","1","","Liu, Qiangqiang; Jin, Bo; Peng, Rufang; Guo, Zhicheng; Zhao, Jun; Zhang, Qingchun; Shang, Yu","Synthesis, characterization and properties of nitrogen-rich compounds based on cyanuric acid: a promising design in the development of new energetic materials","Journal of Materials Chemistry A","2016","4","13","4971","","10.1039/C5TA10688E","","","0.71073","MoKα","","0.0269","0.0254","","","0.0782","0.0792","","","","","","1.056","","","","has coordinates","233959","2020-10-21","18:00:00",""
"7236157","14.3436","0.001","13.8575","0.0009","18.0804","0.0012","90","","112.786","0.002","90","","3313.3","0.4","90","0.5","90","0.5","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C41 H35.4 N O3.7 P S -","- C41 H34 N O3 P S -","- C164 H136 N4 O12 P4 S4 -","4","1","","Galpothdeniya, Waduge Indika S.; Fronczek, Frank R.; Cong, Mingyan; Bhattarai, Nimisha; Siraj, Noureen; Warner, Isiah M.","Tunable GUMBOS-based sensor array for label-free detection and discrimination of proteins","Journal of Materials Chemistry B","2016","4","8","1414","","10.1039/C5TB02038G","","","1.54184","CuKα","","0.0606","0.0493","","","0.142","0.1445","","","","","","1.078","","","","has coordinates","233971","2020-10-21","18:00:00",""
"7236158","10.0089","0.0004","10.4658","0.0004","10.8995","0.0004","61.537","0.002","78.686","0.002","66.103","0.002","917.68","0.06","90","0.5","90","0.5","","","","","","","","7","P 1","P 1","1","","","","- C43 H38 Cl2 N O3 P S -","- C43 H38 Cl2 N O3 P S -","- C43 H38 Cl2 N O3 P S -","1","1","","Galpothdeniya, Waduge Indika S.; Fronczek, Frank R.; Cong, Mingyan; Bhattarai, Nimisha; Siraj, Noureen; Warner, Isiah M.","Tunable GUMBOS-based sensor array for label-free detection and discrimination of proteins","Journal of Materials Chemistry B","2016","4","8","1414","","10.1039/C5TB02038G","","","0.71073","MoKα","","0.0501","0.0412","","","0.1001","0.1064","","","","","","1.04","","","","has coordinates","233971","2020-10-21","18:00:00",""
"7236159","10.3977","0.0004","18.2132","0.0007","17.4211","0.0006","90","","102.071","0.003","90","","3226.2","0.2","90","0.5","90","0.5","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C33 H50 N O3 P S -","- C33 H50 N O3 P S -","- C132 H200 N4 O12 P4 S4 -","4","1","","Galpothdeniya, Waduge Indika S.; Fronczek, Frank R.; Cong, Mingyan; Bhattarai, Nimisha; Siraj, Noureen; Warner, Isiah M.","Tunable GUMBOS-based sensor array for label-free detection and discrimination of proteins","Journal of Materials Chemistry B","2016","4","8","1414","","10.1039/C5TB02038G","","","1.54184","CuKα","","0.1341","0.0702","","","0.1605","0.1902","","","","","","1.017","","","","has coordinates","233971","2020-10-21","18:00:00",""
"7236160","14.0408","0.0005","7.0121","0.0002","18.5908","0.0006","90","","90","","90","","1830.37","0.1","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C18 H16 Cl2 Cu N4 -","- C18 H16 Cl2 Cu N4 -","- C72 H64 Cl8 Cu4 N16 -","4","0.5","","Kitos, Alexandros A.; Moushi, Eleni E.; Manos, Manolis J.; Papatriantafyllopoulou, Constantina; Tasiopoulos, Anastasios J.; Perlepes, Spyros P.; Nastopoulos, Vassilios","Solvent-dependent access to mono- and dinuclear copper(ii) assemblies based on a flexible imidazole ligand","CrystEngComm","2016","18","25","4733","","10.1039/C6CE00445H","","","0.71073","MoKα","","0.0318","0.0256","","","0.0641","0.0681","","","","","","1.08","","","","has coordinates","234702","2020-10-21","18:00:00",""
"7236161","12.4401","0.0002","11.2487","0.0002","15.3872","0.0003","90","","93.715","0.002","90","","2148.68","0.07","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C40 H46 Cu2 N10 O10 -","- C40 H46 Cu2 N10 O10 -","- C80 H92 Cu4 N20 O20 -","2","0.5","","Kitos, Alexandros A.; Moushi, Eleni E.; Manos, Manolis J.; Papatriantafyllopoulou, Constantina; Tasiopoulos, Anastasios J.; Perlepes, Spyros P.; Nastopoulos, Vassilios","Solvent-dependent access to mono- and dinuclear copper(ii) assemblies based on a flexible imidazole ligand","CrystEngComm","2016","18","25","4733","","10.1039/C6CE00445H","","","0.71073","MoKα","","0.0301","0.0258","","","0.0696","0.0706","","","","","","1.042","","","","has coordinates","234702","2020-10-21","18:00:00",""
"7236162","18.3728","0.0003","12.264","0.0002","15.3996","0.0002","90","","96.439","0.002","90","","3448.01","0.09","100","2","100","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C36 H32 Cu N10 O6 -","- C36 H32 Cu N10 O6 -","- C144 H128 Cu4 N40 O24 -","4","1","","Kitos, Alexandros A.; Moushi, Eleni E.; Manos, Manolis J.; Papatriantafyllopoulou, Constantina; Tasiopoulos, Anastasios J.; Perlepes, Spyros P.; Nastopoulos, Vassilios","Solvent-dependent access to mono- and dinuclear copper(ii) assemblies based on a flexible imidazole ligand","CrystEngComm","2016","18","25","4733","","10.1039/C6CE00445H","","","0.71073","MoKα","","0.0383","0.0336","","","0.0767","0.0794","","","","","","1.06","","","","has coordinates","234702","2020-10-21","18:00:00",""
"7236163","7.8022","0.0002","22.6506","0.0006","11.4896","0.0003","90","","92.226","0.002","90","","2028.96","0.09","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C38 H38 Cl2 Cu2 N8 O10 -","- C38 H38 Cl2 Cu2 N8 O10 -","- C76 H76 Cl4 Cu4 N16 O20 -","2","0.5","","Kitos, Alexandros A.; Moushi, Eleni E.; Manos, Manolis J.; Papatriantafyllopoulou, Constantina; Tasiopoulos, Anastasios J.; Perlepes, Spyros P.; Nastopoulos, Vassilios","Solvent-dependent access to mono- and dinuclear copper(ii) assemblies based on a flexible imidazole ligand","CrystEngComm","2016","18","25","4733","","10.1039/C6CE00445H","","","0.71073","MoKα","","0.0427","0.0343","","","0.0763","0.0811","","","","","","1.059","","","","has coordinates","234702","2020-10-21","18:00:00",""
"7236164","17.4049","0.0009","17.5945","0.001","11.9876","0.0007","90","","90","","90","","3671","0.4","100","2","100","2","","","","","","","","6","A e a 2","A 2 -2ab","41","","","","- C36 H32 Cl2 Cu N8 O8 -","- C36 H32 Cl2 Cu N8 O8 -","- C144 H128 Cl8 Cu4 N32 O32 -","4","0.5","","Kitos, Alexandros A.; Moushi, Eleni E.; Manos, Manolis J.; Papatriantafyllopoulou, Constantina; Tasiopoulos, Anastasios J.; Perlepes, Spyros P.; Nastopoulos, Vassilios","Solvent-dependent access to mono- and dinuclear copper(ii) assemblies based on a flexible imidazole ligand","CrystEngComm","2016","18","25","4733","","10.1039/C6CE00445H","","","0.71073","MoKα","","0.0355","0.0317","","","0.0762","0.0787","","","","","","1.053","","","","has coordinates","234702","2020-10-21","18:00:00",""
"7236165","11.2175","0.0006","27.351","0.002","12.9381","0.0009","90","","99.598","0.006","90","","3914","0.5","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C38 H38 Cu2 F6 N8 O2 Si -","- C38 H38 Cu2 F6 N8 O2 Si -","- C152 H152 Cu8 F24 N32 O8 Si4 -","4","1","","Kitos, Alexandros A.; Moushi, Eleni E.; Manos, Manolis J.; Papatriantafyllopoulou, Constantina; Tasiopoulos, Anastasios J.; Perlepes, Spyros P.; Nastopoulos, Vassilios","Solvent-dependent access to mono- and dinuclear copper(ii) assemblies based on a flexible imidazole ligand","CrystEngComm","2016","18","25","4733","","10.1039/C6CE00445H","","","1.5418","CuKα","","0.0501","0.035","","","0.0805","0.0877","","","","","","1.017","","","","has coordinates,has disorder","234702","2020-10-21","18:00:00",""
"7236166","10.6138","0.0002","11.0181","0.0002","16.4294","0.0004","90","","100.83","0.002","90","","1887.1","0.07","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C36 H32 Cu2 N8 O8 S2 -","- C36 H32 Cu2 N8 O8 S2 -","- C72 H64 Cu4 N16 O16 S4 -","2","0.5","","Kitos, Alexandros A.; Moushi, Eleni E.; Manos, Manolis J.; Papatriantafyllopoulou, Constantina; Tasiopoulos, Anastasios J.; Perlepes, Spyros P.; Nastopoulos, Vassilios","Solvent-dependent access to mono- and dinuclear copper(ii) assemblies based on a flexible imidazole ligand","CrystEngComm","2016","18","25","4733","","10.1039/C6CE00445H","","","0.71073","MoKα","","0.0417","0.0339","","","0.0772","0.0823","","","","","","1.059","","","","has coordinates","234702","2020-10-21","18:00:00",""
"7236167","4.6147","0.0006","6.5781","0.0012","12.9004","0.0016","90","","90.418","0.009","90","","391.59","0.1","223","1","223","1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","methyl urea","","","- C2 H6 N2 O -","- C2 H6 N2 O -","- C8 H24 N8 O4 -","4","1","","Baaklini, G.; Gbabode, G.; Clevers, S.; Négrier, P.; Mondieig, D.; Coquerel, G.","Trimorphism of N-methylurea: crystal structures, phase transitions and thermodynamic stabilities","CrystEngComm","2016","18","25","4772","","10.1039/C6CE00652C","","x-ray","1.54056","CuKα~1~","","","","","","0.0731","","","","","","","","","","","has coordinates","234705","2020-10-21","18:00:00",""
"7236168","4.6604","0.0003","7.4079","0.0007","10.4566","0.0006","90","","92.007","0.004","90","","360.78","0.05","100","1","100","1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","methyl urea","","","- C2 H6 N2 O -","- C2 H6 N2 O -","- C8 H24 N8 O4 -","4","1","","Baaklini, G.; Gbabode, G.; Clevers, S.; Négrier, P.; Mondieig, D.; Coquerel, G.","Trimorphism of N-methylurea: crystal structures, phase transitions and thermodynamic stabilities","CrystEngComm","2016","18","25","4772","","10.1039/C6CE00652C","","x-ray","1.54056","CuKα~1~","","","","","","0.1058","","","","","","","","","","","has coordinates","234705","2020-10-21","18:00:00",""
"7236169","10.5995","0.0002","12.1967","0.0003","16.3411","0.0004","98.732","0.002","107.645","0.002","109.102","0.002","1826.92","0.09","288.53","0.1","288.53","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C68 H56 Co7 N10 O39 -","- C68 H52 Co7 N10 O39 -","- C68 H52 Co7 N10 O39 -","1","0.5","","Xu, Yu-Ci; Chen, Yu; Qiu, Hai-Jiang; Zeng, Xiao-Shan; Xu, Hui-Ling; Li, Jie; Zeng, Yong-Fei; Xiao, Dong-Rong","Metal nuclearity affects network connectivity: a series of highly connected metal‒organic frameworks based on polynuclear metal clusters as secondary building units","CrystEngComm","2016","18","42","8182","","10.1039/C6CE01287F","","x-ray","1.54184","CuKα","","0.0473","0.0349","","","0.0799","0.0854","","","","","","1.027","","","","has coordinates,has disorder","234710","2020-10-21","18:00:00",""
"7236170","11.8454","0.00014","28.3935","0.0003","34.5364","0.0003","90","","90","","90","","11615.7","0.2","291.57","0.1","291.57","0.1","","","","","","","","5","C c c a :2","-C 2a 2ac","68","","","","- C52 H50 N8 Ni5 O30 -","- C52 H50 N8 Ni5 O30 -","- C416 H400 N64 Ni40 O240 -","8","0.5","","Xu, Yu-Ci; Chen, Yu; Qiu, Hai-Jiang; Zeng, Xiao-Shan; Xu, Hui-Ling; Li, Jie; Zeng, Yong-Fei; Xiao, Dong-Rong","Metal nuclearity affects network connectivity: a series of highly connected metal‒organic frameworks based on polynuclear metal clusters as secondary building units","CrystEngComm","2016","18","42","8182","","10.1039/C6CE01287F","","","1.54184","CuKα","","0.0506","0.0486","","","0.1337","0.1355","","","","","","1.086","","","","has coordinates,has disorder","234710","2020-10-21","18:00:00",""
"7236171","9.6379","0.0004","10.2081","0.0003","12.1115","0.0005","112.98","0.003","99.703","0.003","95.828","0.003","1062.79","0.08","290.88","0.19","290.88","0.19","","","","","","","","5","P -1","-P 1","2","","","","- C42 H24 N6 O19 Zn3 -","- C42 H24 N6 O19 Zn3 -","- C42 H24 N6 O19 Zn3 -","1","0.5","","Xu, Yu-Ci; Chen, Yu; Qiu, Hai-Jiang; Zeng, Xiao-Shan; Xu, Hui-Ling; Li, Jie; Zeng, Yong-Fei; Xiao, Dong-Rong","Metal nuclearity affects network connectivity: a series of highly connected metal‒organic frameworks based on polynuclear metal clusters as secondary building units","CrystEngComm","2016","18","42","8182","","10.1039/C6CE01287F","","x-ray","1.54184","CuKα","","0.0483","0.0467","","","0.143","0.1445","","","","","","1.103","","","","has coordinates,has disorder","234710","2020-10-21","18:00:00",""
"7236172","9.67809","0.00016","10.27573","0.00015","11.9152","0.0002","112.179","0.0015","101.863","0.0014","93.0017","0.0013","1062.75","0.03","288.53","0.1","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C45 H30 N6 O19 Zn3 -","- C45 H30 N6 O19 Zn3 -","- C45 H30 N6 O19 Zn3 -","1","0.5","","Xu, Yu-Ci; Chen, Yu; Qiu, Hai-Jiang; Zeng, Xiao-Shan; Xu, Hui-Ling; Li, Jie; Zeng, Yong-Fei; Xiao, Dong-Rong","Metal nuclearity affects network connectivity: a series of highly connected metal‒organic frameworks based on polynuclear metal clusters as secondary building units","CrystEngComm","2016","18","42","8182","","10.1039/C6CE01287F","","","1.54184","CuKα","","0.0318","0.0316","","","0.0797","0.0798","","","","","","1.108","","","","has coordinates,has disorder","234710","2020-10-21","18:00:00",""
"7236173","9.8669","0.0002","10.425","0.0002","12.4397","0.0003","111.316","0.0019","102.568","0.0018","93.8625","0.0017","1148.29","0.05","290.56","0.17","290.56","0.17","","","","","","","","5","P -1","-P 1","2","","","","- C36 H34 Cd3 N6 O21 -","- C36 H34 Cd3 N6 O21 -","- C36 H34 Cd3 N6 O21 -","1","0.5","","Xu, Yu-Ci; Chen, Yu; Qiu, Hai-Jiang; Zeng, Xiao-Shan; Xu, Hui-Ling; Li, Jie; Zeng, Yong-Fei; Xiao, Dong-Rong","Metal nuclearity affects network connectivity: a series of highly connected metal‒organic frameworks based on polynuclear metal clusters as secondary building units","CrystEngComm","2016","18","42","8182","","10.1039/C6CE01287F","","x-ray","1.54184","CuKα","","0.0352","0.0342","","","0.1097","0.1106","","","","","","1.131","","","","has coordinates","234710","2020-10-21","18:00:00",""
"7236174","9.6701","0.0002","10.2782","0.0002","11.9406","0.0003","112.322","0.002","101.936","0.002","92.9815","0.0019","1062.89","0.05","288.85","0.12","288.85","0.12","","","","","","","","5","P -1","-P 1","2","","","","- C45 H30 Co3 N6 O19 -","- C45 H30 Co3 N6 O19 -","- C45 H30 Co3 N6 O19 -","1","0.5","","Xu, Yu-Ci; Chen, Yu; Qiu, Hai-Jiang; Zeng, Xiao-Shan; Xu, Hui-Ling; Li, Jie; Zeng, Yong-Fei; Xiao, Dong-Rong","Metal nuclearity affects network connectivity: a series of highly connected metal‒organic frameworks based on polynuclear metal clusters as secondary building units","CrystEngComm","2016","18","42","8182","","10.1039/C6CE01287F","","x-ray","1.54184","CuKα","","0.0454","0.0396","","","0.097","0.1004","","","","","","1.054","","","","has coordinates,has disorder","234710","2020-10-21","18:00:00",""
"7236175","9.7826","0.0002","10.3101","0.0002","12.1333","0.0003","112.088","0.002","101.488","0.002","94.1132","0.0018","1096.65","0.05","289.03","0.1","289.03","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C42 H26 Mn3 N6 O20 -","- C42 H26 Mn3 N6 O20 -","- C42 H26 Mn3 N6 O20 -","1","0.5","","Xu, Yu-Ci; Chen, Yu; Qiu, Hai-Jiang; Zeng, Xiao-Shan; Xu, Hui-Ling; Li, Jie; Zeng, Yong-Fei; Xiao, Dong-Rong","Metal nuclearity affects network connectivity: a series of highly connected metal‒organic frameworks based on polynuclear metal clusters as secondary building units","CrystEngComm","2016","18","42","8182","","10.1039/C6CE01287F","","x-ray","1.54184","CuKα","","0.044","0.0425","","","0.1281","0.1298","","","","","","1.112","","","","has coordinates,has disorder","234710","2020-10-21","18:00:00",""
"7236176","8.6354","0.0003","21.9273","0.0007","18.4048","0.0006","90","","108.339","0.003","90","","3308","0.2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C32 H21 Co N5 O6 -","- C32 H21 Co N5 O6 -","- C128 H84 Co4 N20 O24 -","4","1","","Wang, Xiao-Xiao; Wang, Xiao-Qing; Niu, Xiao-Yan; Hu, Tuo-Ping","Three novel metal‒organic frameworks based on an unsymmetrical rigid carboxylate ligand for luminescence sensing of nitrobenzene derivatives and magnetic properties","CrystEngComm","2016","18","39","7471","","10.1039/C6CE01457G","","","0.71073","MoKα","","0.1576","0.0648","","","0.1459","0.1823","","","","","","0.963","","","","has coordinates","234713","2020-10-21","18:00:00",""
"7236177","31.98","0.03","7.904","0.007","26.8","0.03","90","","90","","90","","6774","12","296","2","296.15","","","","","","","","","5","A e a 2","A 2 -2ab","41","","","","- C64 H42 Cd3 N10 O13 -","- C64 H42 Cd3 N10 O13 -","- C256 H168 Cd12 N40 O52 -","4","0.5","","Wang, Xiao-Xiao; Wang, Xiao-Qing; Niu, Xiao-Yan; Hu, Tuo-Ping","Three novel metal‒organic frameworks based on an unsymmetrical rigid carboxylate ligand for luminescence sensing of nitrobenzene derivatives and magnetic properties","CrystEngComm","2016","18","39","7471","","10.1039/C6CE01457G","","","0.71073","MoKα","","0.0488","0.0458","","","0.0989","0.0999","","","","","","1.105","","","","has coordinates","234713","2020-10-21","18:00:00",""
"7236178","9.856","0.007","10.988","0.008","17.309","0.013","80.255","0.007","75.531","0.006","86.663","0.007","1789","2","296","2","296.15","","","","","","","","","5","P -1","-P 1","2","","","","- C82 H58 Mn3 N14 O16 -","- C82 H58 Mn3 N14 O16 -","- C82 H58 Mn3 N14 O16 -","1","0.5","","Wang, Xiao-Xiao; Wang, Xiao-Qing; Niu, Xiao-Yan; Hu, Tuo-Ping","Three novel metal‒organic frameworks based on an unsymmetrical rigid carboxylate ligand for luminescence sensing of nitrobenzene derivatives and magnetic properties","CrystEngComm","2016","18","39","7471","","10.1039/C6CE01457G","","","0.71073","MoKα","","0.1393","0.0596","","","0.1075","0.134","","","","","","0.965","","","","has coordinates,has disorder","234713","2020-10-21","18:00:00",""
"7236179","23.751","0.003","30.607","0.004","23.764","0.003","90","","90","","90","","17275","4","100","2","100","2","","","","","","","","7","C c c a :2","-C 2a 2ac","68","","","","- C39 H35 Cd2 Cl5 Cr3 N7 O16 -","- C39 H31 Cd2 Cl5 Cr3 N7 O16 -","- C312 H248 Cd16 Cl40 Cr24 N56 O128 -","8","0.5","","Yang, Qing-Yuan; Chen, Kai-Jie; Schoedel, Alexander; Wojtas, Lukasz; Perry IV, John J.; Zaworotko, Michael J.","Network diversity through two-step crystal engineering of a decorated 6-connected primary molecular building block","CrystEngComm","2016","18","44","8578","","10.1039/C6CE01544A","","","0.71073","MoKα","","0.1758","0.0939","","","0.2555","0.3387","","","","","","1.066","","","","has coordinates,has disorder","234716","2020-10-21","18:00:00",""
"7236180","20.772","0.009","20.772","0.009","21.053","0.001","90","","90","","120","","7867","5","100","2","100","2","","","","","","","","6","P 63/m","-P 6c","176","","","","- C36 H54 Cr3 Cu3 N13 O49 -","- C36 H24 Cr3 Cu3 N6 O28 -","- C72 H48 Cr6 Cu6 N12 O56 -","2","0.166667","","Yang, Qing-Yuan; Chen, Kai-Jie; Schoedel, Alexander; Wojtas, Lukasz; Perry IV, John J.; Zaworotko, Michael J.","Network diversity through two-step crystal engineering of a decorated 6-connected primary molecular building block","CrystEngComm","2016","18","44","8578","","10.1039/C6CE01544A","","","1.54178","CuKα","","0.0887","0.0726","","","0.2137","0.2411","","","","","","1.089","","","","has coordinates","234716","2020-10-21","18:00:00",""
"7236181","20.608","0.002","20.608","0.002","22.35","0.002","90","","90","","90","","9491.8","1.6","100","2","100","2","","","","","","","","6","P -4 21 c","P -4 2n","114","","","","- C46 H70 Cd2 Cr3 N11 O41 -","- C46 H51 Cd2 Cr3 N10 O38 -","- C184 H204 Cd8 Cr12 N40 O152 -","4","0.5","","Yang, Qing-Yuan; Chen, Kai-Jie; Schoedel, Alexander; Wojtas, Lukasz; Perry IV, John J.; Zaworotko, Michael J.","Network diversity through two-step crystal engineering of a decorated 6-connected primary molecular building block","CrystEngComm","2016","18","44","8578","","10.1039/C6CE01544A","","","0.41328","synchrotron","","0.0738","0.0562","","","0.1568","0.1716","","","","","","1.103","","","","has coordinates,has disorder","234716","2020-10-21","18:00:00",""
"7236182","21.6177","0.0006","21.6177","0.0006","61.464","0.004","90","","90","","120","","24875.4","1.9","100","2","100.11","","","","","","","","","7","R -3 c :H","-R 3 2""c","167","","","","- C117 H155 Cl14 Cr6 Cu6 N27 O42 -","- C117 H153 Cl13.9998 Cr6 Cu6 N27 O41.9999 -","- C702 H918 Cl83.9988 Cr36 Cu36 N162 O251.999 -","6","0.166667","","Yang, Qing-Yuan; Chen, Kai-Jie; Schoedel, Alexander; Wojtas, Lukasz; Perry IV, John J.; Zaworotko, Michael J.","Network diversity through two-step crystal engineering of a decorated 6-connected primary molecular building block","CrystEngComm","2016","18","44","8578","","10.1039/C6CE01544A","","","1.54178","CuKα","","0.0742","0.0634","","","0.1631","0.1695","","","","","","1.105","","","","has coordinates,has disorder","234716","2020-10-21","18:00:00",""
"7236183","22.045","0.002","22.045","0.002","21.768","0.002","90","","90","","120","","9161.6","1.4","100","2","100.15","","","","","","","","","7","P 63/m c m","-P 6c 2","193","","","","- C78 H84 Cl6 Cr6 Mn3 N14 O44 -","- C78 H48 Cl6 Cr6 Mn3 N12 O38 -","- C156 H96 Cl12 Cr12 Mn6 N24 O76 -","2","0.0833333","","Yang, Qing-Yuan; Chen, Kai-Jie; Schoedel, Alexander; Wojtas, Lukasz; Perry IV, John J.; Zaworotko, Michael J.","Network diversity through two-step crystal engineering of a decorated 6-connected primary molecular building block","CrystEngComm","2016","18","44","8578","","10.1039/C6CE01544A","","","0.41328","synchrotron","","0.0961","0.0601","","","0.1945","0.2415","","","","","","1.079","","","","has coordinates,has disorder","234716","2020-10-21","18:00:00",""
"7236184","14.0391","0.0009","13.7146","0.0008","21.6343","0.0014","90","","105.838","0.002","90","","4007.3","0.4","173","2","173","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C41 H42 Cl F6 Ir N O P3 -","- C41 H42 Cl F6 Ir N O P3 -","- C164 H168 Cl4 F24 Ir4 N4 O4 P12 -","4","1","","Naicker, Dunesha; Friedrich, Holger B.; Pansuriya, Pramod B.","Iridium and rhodium “PNP” aminodiphosphine complexes used as catalysts in the oxidation of styrene","RSC Advances","2016","6","37","31005","","10.1039/C6RA01276K","","","0.71073","MoKα","","0.0399","0.0274","","","0.0559","0.0612","","","","","","1.015","","","","has coordinates","235240","2020-10-21","18:00:00",""
"7236185","14.048","0.0004","13.716","0.0006","21.6798","0.0009","90","","105.898","0.002","90","","4017.5","0.3","173","2","173","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C41 H42 Cl F6 N O P3 Rh -","- C41 H42 Cl F6 N O P3 Rh -","- C164 H168 Cl4 F24 N4 O4 P12 Rh4 -","4","1","","Naicker, Dunesha; Friedrich, Holger B.; Pansuriya, Pramod B.","Iridium and rhodium “PNP” aminodiphosphine complexes used as catalysts in the oxidation of styrene","RSC Advances","2016","6","37","31005","","10.1039/C6RA01276K","","","0.71073","MoKα","","0.1018","0.0464","","","0.0981","0.1213","","","","","","1.034","","","","has coordinates","235240","2020-10-21","18:00:00",""
"7236186","17.5194","0.001","12.9278","0.0008","18.8945","0.0011","90","","90","","90","","4279.4","0.4","173","2","173","2","","","","","","","","7","P n m a","-P 2ac 2n","62","","","","- C40 H48 Cl3 F6 Ir N P3 -","- C40 H46 Cl3 F6 Ir N P3 -","- C160 H184 Cl12 F24 Ir4 N4 P12 -","4","0.5","","Naicker, Dunesha; Friedrich, Holger B.; Pansuriya, Pramod B.","Iridium and rhodium “PNP” aminodiphosphine complexes used as catalysts in the oxidation of styrene","RSC Advances","2016","6","37","31005","","10.1039/C6RA01276K","","","0.71073","MoKα","","0.0649","0.0388","","","0.0881","0.0984","","","","","","1.031","","","","has coordinates,has disorder","235240","2020-10-21","18:00:00",""
"7236187","33.109","0.002","7.952","0.0005","18.4662","0.0012","90","","111.031","0.001","90","","4538","0.5","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C26.5 H24.5 N2.5 O10.5 Zn2 -","- C22 H12 N2 O10 Zn2 -","- C88 H48 N8 O40 Zn8 -","4","0.5","","Liu, Jian-Qiang; Wu, Jian; Li, Fu-Mei; Liu, Wei-Cong; Li, Bao-Hong; Wang, Jun; Li, Qin-Ling; Yadav, Reena; Kumar, Abhinav","Luminescent sensing from a new Zn(ii) metal‒organic framework","RSC Advances","2016","6","37","31161","","10.1039/C6RA01709F","","","0.71073","MoKα","","0.0451","0.0348","","","0.0934","0.0981","","","","","","1.005","","","","has coordinates,has disorder","235242","2020-10-21","18:00:00",""
"7236188","7.0081","0.0003","13.8198","0.0007","14.2897","0.0008","90","","99.282","0.005","90","","1365.84","0.12","293","","293","","","","","","","","","6","I 1 2/c 1","-I 2yc","15","","","","- C12 H12 Cu N2 O6 S -","- C12 H12 Cu N2 O6 S -","- C48 H48 Cu4 N8 O24 S4 -","4","0.5","","Kamath, Amarjit; Mishra, Dipu Kumar; Brahman, Dhiraj; Pilet, Guillaume; Sinha, Biswajit; Tamang, Abiral","Poly[diaquo(1,10-phenanthroline-κ2N1:N10)(μ2-sulphato-κ2O:O′)copper(ii)]: hydrothermal synthesis, crystal structure and magnetic properties","RSC Advances","2016","6","51","46030","","10.1039/C6RA03493D","","","0.71069","MoKα","","0.0257","0.0243","","0.0273","0.0268","0.0267","","","","","","1.0787","","","","has coordinates","235245","2020-10-21","18:00:00",""
"7236189","7.1854","0.0014","12.877","0.003","13.705","0.003","90","","93.63","0.03","90","","1265.5","0.5","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","BB","","- C15 H10 B F2 N O2 -","- C15 H10 B F2 N O2 -","- C60 H40 B4 F8 N4 O8 -","4","1","","Zhang, Zhenqi; Wu, Zhu; Sun, Jingbo; Xue, Pengchong; Lu, Ran","Multi-color solid-state emission of β-iminoenolate boron complexes tuned by methoxyl groups: aggregation-induced emission and mechanofluorochromism","RSC Advances","2016","6","49","43755","","10.1039/C6RA03722D","","","0.71073","MoKα","","0.058","0.0416","","","0.1094","0.1155","","","","","","1.024","","","","has coordinates","235248","2020-10-21","18:00:00",""
"7236190","7.7022","0.0015","8.6623","0.0017","21.644","0.004","90","","99.29","0.03","90","","1425.1","0.5","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","B2B","","- C16 H12 B F2 N O3 -","- C16 H12 B F2 N O3 -","- C64 H48 B4 F8 N4 O12 -","4","1","","Zhang, Zhenqi; Wu, Zhu; Sun, Jingbo; Xue, Pengchong; Lu, Ran","Multi-color solid-state emission of β-iminoenolate boron complexes tuned by methoxyl groups: aggregation-induced emission and mechanofluorochromism","RSC Advances","2016","6","49","43755","","10.1039/C6RA03722D","","","0.71073","MoKα","","0.1327","0.0775","","","0.1362","0.1461","","","","","","0.966","","","","has coordinates","235248","2020-10-21","18:00:00",""
"7236191","7.1557","0.0014","8.6916","0.0017","22.455","0.005","90","","92.46","0.03","90","","1395.3","0.5","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","B3B","","- C16 H12 B F2 N O3 -","- C16 H12 B F2 N O3 -","- C64 H48 B4 F8 N4 O12 -","4","1","","Zhang, Zhenqi; Wu, Zhu; Sun, Jingbo; Xue, Pengchong; Lu, Ran","Multi-color solid-state emission of β-iminoenolate boron complexes tuned by methoxyl groups: aggregation-induced emission and mechanofluorochromism","RSC Advances","2016","6","49","43755","","10.1039/C6RA03722D","","","0.71073","MoKα","","0.0711","0.0488","","","0.1264","0.1341","","","","","","1.067","","","","has coordinates","235248","2020-10-21","18:00:00",""
"7236192","7.1368","0.0014","15.475","0.003","13.122","0.003","90","","103.1","0.03","90","","1411.5","0.5","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","B4B","","- C16 H12 B F2 N O3 -","- C16 H12 B F2 N O3 -","- C64 H48 B4 F8 N4 O12 -","4","1","","Zhang, Zhenqi; Wu, Zhu; Sun, Jingbo; Xue, Pengchong; Lu, Ran","Multi-color solid-state emission of β-iminoenolate boron complexes tuned by methoxyl groups: aggregation-induced emission and mechanofluorochromism","RSC Advances","2016","6","49","43755","","10.1039/C6RA03722D","","","0.71073","MoKα","","0.1079","0.0493","","","0.1111","0.1313","","","","","","0.927","","","","has coordinates","235248","2020-10-21","18:00:00",""
"7236193","8.6901","0.0017","8.0756","0.0016","22.705","0.005","90","","100.06","0.03","90","","1568.9","0.6","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","B24B","","- C17 H14 B F2 N O4 -","- C17 H14 B F2 N O4 -","- C68 H56 B4 F8 N4 O16 -","4","1","","Zhang, Zhenqi; Wu, Zhu; Sun, Jingbo; Xue, Pengchong; Lu, Ran","Multi-color solid-state emission of β-iminoenolate boron complexes tuned by methoxyl groups: aggregation-induced emission and mechanofluorochromism","RSC Advances","2016","6","49","43755","","10.1039/C6RA03722D","","","0.71073","MoKα","","0.085","0.0472","","","0.1114","0.1281","","","","","","1.031","","","","has coordinates","235248","2020-10-21","18:00:00",""
"7236194","7.7008","0.0015","11.481","0.002","18.166","0.005","90","","104.52","0.03","90","","1554.8","0.6","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","B25B","","- C17 H14 B F2 N O4 -","- C17 H14 B F2 N O4 -","- C68 H56 B4 F8 N4 O16 -","4","1","","Zhang, Zhenqi; Wu, Zhu; Sun, Jingbo; Xue, Pengchong; Lu, Ran","Multi-color solid-state emission of β-iminoenolate boron complexes tuned by methoxyl groups: aggregation-induced emission and mechanofluorochromism","RSC Advances","2016","6","49","43755","","10.1039/C6RA03722D","","","0.71073","MoKα","","0.0649","0.0452","","","0.1186","0.1278","","","","","","1.068","","","","has coordinates","235248","2020-10-21","18:00:00",""
"7236195","11.023","0.002","10.298","0.002","25.687","0.005","90","","100.5","0.03","90","","2867","1","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C29 H32 N6 Ni S2 -","- C29 H32 N6 Ni S2 -","- C116 H128 N24 Ni4 S8 -","4","1","","Gupta, Rakesh Kumar; Kumar, Vinod; Srivastava, Anchal; Pandey, Daya Shankar","Dipyrrin complex assisted in situ synthesis of ultra-small gold nanoparticles decorated on a partially reduced graphene oxide nanocomposite for efficient catalytic reduction of Cr(vi) to Cr(iii)","RSC Advances","2016","6","47","40911","","10.1039/C6RA03835B","","","0.71073","MoKα","","0.0708","0.0534","","","0.1545","0.1672","","","","","","1.071","","","","has coordinates","235251","2020-10-21","18:00:00",""
"7236196","7.51","0.001","9.471","0.002","11.878","0.002","85.63","0.03","79.47","0.04","68.96","0.03","775.2","0.3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","ClPBA + Theophylline","","","- C13 H14 B Cl N4 O4 -","- C13 H14 B Cl N4 O4 -","- C26 H28 B2 Cl2 N8 O8 -","2","1","","TalwelkarShimpi, Mayura; Öberg, Sven; Giri, Lopamudra; Pedireddi, V. R.","Experimental and theoretical studies of molecular complexes of theophylline with some phenylboronic acids","RSC Advances","2016","6","49","43060","","10.1039/C6RA04100K","","","0.71073","MoKα","","0.0924","0.0753","","","0.1845","0.1947","","","","","","1.161","","","","has coordinates","235253","2020-10-21","18:00:00",""
"7236197","7.475","0.0001","9.623","0.002","11.957","0.003","87.25","0.01","80.94","0.01","71.63","0.01","806.1","0.3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","IPBA + Theophylline","","","- C13 H14 B I N4 O4 -","- C13 H14 B I N4 O4 -","- C26 H28 B2 I2 N8 O8 -","2","1","","TalwelkarShimpi, Mayura; Öberg, Sven; Giri, Lopamudra; Pedireddi, V. R.","Experimental and theoretical studies of molecular complexes of theophylline with some phenylboronic acids","RSC Advances","2016","6","49","43060","","10.1039/C6RA04100K","","","0.71073","MoKα","","0.0653","0.0597","","","0.1522","0.1583","","","","","","1.116","","","","has coordinates","235253","2020-10-21","18:00:00",""
"7236198","12.858","0.003","8.2154","0.0017","14.199","0.003","90","","98.03","0.004","90","","1485.2","0.6","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","HPBA + Theophylline","","","- C13 H15 B N4 O5 -","- C13 H15 B N4 O5 -","- C52 H60 B4 N16 O20 -","4","1","","TalwelkarShimpi, Mayura; Öberg, Sven; Giri, Lopamudra; Pedireddi, V. R.","Experimental and theoretical studies of molecular complexes of theophylline with some phenylboronic acids","RSC Advances","2016","6","49","43060","","10.1039/C6RA04100K","","","0.71073","MoKα","","0.0575","0.0456","","","0.1397","0.1461","","","","","","1.048","","","","has coordinates","235253","2020-10-21","18:00:00",""
"7236199","8.528","0.002","8.711","0.002","9.661","0.003","109.74","0.01","94.47","0.01","104.78","","642.5","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","1,4-benezenediboronic acid+ theophylline","","","- C20 H24 B2 N8 O8.5 -","- C20 H24 B2 N8 O8.5 -","- C20 H24 B2 N8 O8.5 -","1","0.5","","TalwelkarShimpi, Mayura; Öberg, Sven; Giri, Lopamudra; Pedireddi, V. R.","Experimental and theoretical studies of molecular complexes of theophylline with some phenylboronic acids","RSC Advances","2016","6","49","43060","","10.1039/C6RA04100K","","","0.71073","MoKα","","0.098","0.0773","","","0.1681","0.177","","","","","","1.209","","","","has coordinates","235253","2020-10-21","18:00:00",""
"7236200","7.683","0.004","12.17","0.006","13.064","0.006","85.699","0.006","81.017","0.007","86.489","0.006","1201.6","1","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C31 H23 B F2 N2 O2 -","- C31 H23 B F2 N2 O2 -","- C62 H46 B2 F4 N4 O4 -","2","1","","Wang, Jun; Wu, Qinghua; Xu, Yajun; Yu, Changjiang; Wei, Yun; Mu, Xiaolong; Hao, Erhong; Jiao, Lijuan","Synthesis, structure and photophysical properties of near-infrared 3,5-diarylbenzoBODIPY fluorophores","RSC Advances","2016","6","57","52180","","10.1039/C6RA04412C","","","0.71073","MoKα","","0.1144","0.0721","","","0.187","0.2199","","","","","","1.033","","","","has coordinates","235258","2020-10-21","18:00:00",""
"7236201","12.1936","0.0018","15.062","0.002","12.2515","0.0018","90","","97.131","0.002","90","","2232.7","0.6","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C29 H17 B F4 N2 -","- C29 H17 B F4 N2 -","- C116 H68 B4 F16 N8 -","4","1","","Wang, Jun; Wu, Qinghua; Xu, Yajun; Yu, Changjiang; Wei, Yun; Mu, Xiaolong; Hao, Erhong; Jiao, Lijuan","Synthesis, structure and photophysical properties of near-infrared 3,5-diarylbenzoBODIPY fluorophores","RSC Advances","2016","6","57","52180","","10.1039/C6RA04412C","","","0.71073","MoKα","","0.0873","0.0517","","","0.1215","0.1418","","","","","","0.999","","","","has coordinates","235258","2020-10-21","18:00:00",""
"7236202","10.2591","0.001","10.3442","0.001","12.7331","0.0012","96.535","0.001","104.574","0.001","104.618","0.001","1242.6","0.2","293.15","","293.15","","","","","","","","","6","P -1","-P 1","2","","","","- C31 H23 B F2 N2 O2 -","- C31 H23 B F2 N2 O2 -","- C62 H46 B2 F4 N4 O4 -","2","1","","Wang, Jun; Wu, Qinghua; Xu, Yajun; Yu, Changjiang; Wei, Yun; Mu, Xiaolong; Hao, Erhong; Jiao, Lijuan","Synthesis, structure and photophysical properties of near-infrared 3,5-diarylbenzoBODIPY fluorophores","RSC Advances","2016","6","57","52180","","10.1039/C6RA04412C","","","0.71073","MoKα","","0.0704","0.0483","","","0.1151","0.1291","","","","","","1.007","","","","has coordinates","235258","2020-10-21","18:00:00",""
"7236203","12.1894","0.0009","9.6526","0.0007","20.0169","0.0017","90","","109.306","0.006","90","","2222.7","0.3","293","2","293.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H18 Cl N3 O -","- C26 H18 Cl N3 O -","- C104 H72 Cl4 N12 O4 -","4","1","","Shu, Ke; Shao, Jiaan; Li, Hong; Chen, Binhui; Tang, Pai; Liu, Xingyu; Chen, Wenteng; Yu, Yongping","Base-mediated synthesis of highly functionalized 2-aminonicotinonitriles from α-keto vinyl azides and α,α-dicyanoalkenes","RSC Advances","2016","6","54","49123","","10.1039/C6RA04669J","","","0.71073","MoKα","","0.0906","0.0512","","","0.1103","0.1309","","","","","","1.023","","","","has coordinates","235260","2020-10-21","18:00:00",""
"7236204","14.6904","0.0008","13.1346","0.0006","12.3812","0.0006","90","","114.424","0.007","90","","2175.2","0.2","291","2","291","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C23 H22 N2 O2 S2 -","- C23 H22 N2 O2 S2 -","- C92 H88 N8 O8 S8 -","4","1","","Gao, Lingfeng; Fu, Kai; Zheng, Gengxiu","Quickly FeCl3-catalyzed highly chemo- and stereo-selective [3 + 2] dipolar cycloaddition of aziridines with isothiocyanates","RSC Advances","2016","6","53","47192","","10.1039/C6RA04923K","","","1.54184","CuKα","","0.0601","0.0491","","","0.144","0.1591","","","","","","1.035","","","","has coordinates","235262","2020-10-21","18:00:00",""
"7236205","10.0198","0.0016","14.171","0.003","21.521","0.004","70.946","0.006","78.528","0.008","70.905","0.007","2714.9","0.9","113","","113","","","","","","","","","7","P -1","-P 1","2","","","","- C53 H67 F6 Fe N4 O10 P -","- C53 H67 F6 Fe N4 O10 P -","- C106 H134 F12 Fe2 N8 O20 P2 -","2","1","","Yu, Gilbert; Suzaki, Yuji; Osakada, Kohtaro","Ferrocene-containing [1]-, [2]-, [3]- and [4]rotaxanes synthesized from a common precursor","RSC Advances","2016","6","47","41369","","10.1039/C6RA05688A","","","0.7107","MoKα","","","0.0516","","","","0.1543","","","","","","1.035","","","","has coordinates","235264","2020-10-21","18:00:00",""
"7236206","15.042","0.005","11.404","0.004","32.856","0.01","90","","95.094","0.005","90","","5614","3","296","2","296","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C16 H8 S3 -","- C16 H8 S3 -","- C256 H128 S48 -","16","2","","Huang, Wei; Zhu, Haoyun; Huang, Yuli; Yang, Junwei; Wang, Weizhi","Controllable synthesis of conjugated thio-phenylethyne-based compounds with different chain lengths","RSC Advances","2016","6","46","40343","","10.1039/C6RA05709H","","","0.71073","MoKα","","0.1181","0.0881","","","0.198","0.2094","","","","","","1.067","","","","has coordinates","235266","2020-10-21","18:00:00",""
"7236207","31.81","0.006","14.993","0.003","13.22","0.003","90","","96.01","0.03","90","","6270","2","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C23 H0 Eu N5 O8 -","- C23 Eu N5 O8 -","- C184 Eu8 N40 O64 -","8","1","","Wang, Di; Sun, Libo; Hao, Chuanqing; Yan, Yan; Liang, Zhiqiang","Lanthanide metal‒organic frameworks based on a 1,2,3-triazole-containing tricarboxylic acid ligand for luminescence sensing of metal ions and nitroaromatic compounds","RSC Advances","2016","6","63","57828","","10.1039/C6RA06303A","","","0.71073","MoKα","","0.0842","0.0596","","","0.1638","0.1852","","","","","","1.092","","","","has coordinates","235268","2020-10-21","18:00:00",""
"7236208","32.118","0.003","15.2133","0.0017","13.1789","0.0014","90","","95.256","0.002","90","","6412.4","1.2","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C49 H0 La2 N11 O17 -","- C49 La2 N11 O17 -","- C196 La8 N44 O68 -","4","0.5","","Wang, Di; Sun, Libo; Hao, Chuanqing; Yan, Yan; Liang, Zhiqiang","Lanthanide metal‒organic frameworks based on a 1,2,3-triazole-containing tricarboxylic acid ligand for luminescence sensing of metal ions and nitroaromatic compounds","RSC Advances","2016","6","63","57828","","10.1039/C6RA06303A","","","0.71073","MoKα","","0.0947","0.0582","","","0.1634","0.1886","","","","","","1.007","","","","has coordinates,has disorder","235268","2020-10-21","18:00:00",""
"7236209","31.6491","0.0017","14.9143","0.0009","13.2656","0.0007","90","","96.466","0.001","90","","6221.9","0.6","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C23 H0 N5 O8 Tb -","- C23 N5 O8 Tb -","- C184 N40 O64 Tb8 -","8","1","","Wang, Di; Sun, Libo; Hao, Chuanqing; Yan, Yan; Liang, Zhiqiang","Lanthanide metal‒organic frameworks based on a 1,2,3-triazole-containing tricarboxylic acid ligand for luminescence sensing of metal ions and nitroaromatic compounds","RSC Advances","2016","6","63","57828","","10.1039/C6RA06303A","","","0.71073","MoKα","","0.0997","0.0664","","","0.1969","0.2234","","","","","","1.066","","","","has coordinates","235268","2020-10-21","18:00:00",""
"7236210","9.9204","0.0004","11.2869","0.0004","13.6057","0.0006","69.094","0.003","76.462","0.003","77.265","0.003","1367.79","0.1","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","Ethyl (1'S,2'S,3R)-1''-butyl-5''-methyl-2,2''-dioxo-1'-phenyl-1'',2'',5',6',7',7a'-hexahydro-1'H-dispiro[indoline-3,3'-pyrrolizine-2',3''-pyrrole]-4''-carboxylate","","- C31 H35 N3 O4 -","- C31 H35 N3 O4 -","- C62 H70 N6 O8 -","2","1","","Cores, Ángel; Estévez, Verónica; Villacampa, Mercedes; Menéndez, J. Carlos","Three-component access to 2-pyrrolin-5-ones and their use in target-oriented and diversity-oriented synthesis","RSC Advances","2016","6","45","39433","","10.1039/C6RA06317A","","","1.54178","CuKα","","0.1601","0.1261","","","0.3169","0.3544","","","","","","1.957","","","","has coordinates","235270","2020-10-21","18:00:00",""
"7236211","11.4898","0.0008","8.3928","0.0008","20.0409","0.0017","90","","94.127","0.008","90","","1927.6","0.3","295.2","0.8","295.2","0.8","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","AP-BIN-8","","- C20 H15 Cl N4 O6 -","- C20 H15 Cl N4 O6 -","- C80 H60 Cl4 N16 O24 -","4","1","","Dam, Binoyargha; Saha, Mithu; Jamatia, Ramen; Pal, Amarta Kumar","Nano-ferrite supported glutathione as a reusable nano-organocatalyst for the synthesis of phthalazine-trione and dione derivatives under solvent-free conditions","RSC Advances","2016","6","60","54768","","10.1039/C6RA06376D","","","0.71073","MoKα","","0.0892","0.0586","","","0.1642","0.1889","","","","","","1.113","","","","has coordinates","235272","2020-10-21","18:00:00",""
"7236212","53.119","0.008","5.8356","0.0006","9.0022","0.0013","90","","95.343","0.015","90","","2778.4","0.6","123","2","123","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C26 H6 F26 S2 -","- C26 H6 F26 S2 -","- C104 H24 F104 S8 -","4","0.5","","Martínez-Tong, Daniel E.; Gbabode, Gabin; Ruzié, Christian; Chattopadhyay, Basab; Schweicher, Guillaume; Kennedy, Alan R.; Geerts, Yves H.; Sferrazza, Michele","Self-assembled π-conjugated organic nanoplates: from hexagonal to triangular motifs","RSC Advances","2016","6","50","44921","","10.1039/C6RA06431K","","","1.5418","CuKα","","0.0995","0.0628","","","0.163","0.2022","","","","","","1.05","","","","has coordinates","235274","2020-10-21","18:00:00",""
"7236213","7.619","0.002","9.692","0.003","15.884","0.005","75.952","0.005","79.091","0.005","71.433","0.005","1070.6","0.6","294","2","294","2","","","","","","","","3","P -1","-P 1","2","","","","- C24 H26 N6 -","- C24 H26 N6 -","- C48 H52 N12 -","2","1","","Kumar, Avnish; Shinde, Sundar S.; Tiwari, Dharmendra Kumar; Sridhar, Balasubramanian; Likhar, Pravin R.","Palladium catalyzed domino reaction of 1,4-disubstituted 1,2,3-triazoles via double C‒H functionalization: one-pot synthesis of triazolo[1,5-f]phenanthridines","RSC Advances","2016","6","49","43638","","10.1039/C6RA06755G","","","0.71073","MoKα","","0.1166","0.0906","","","0.2623","0.2933","","","","","","0.998","","","","has coordinates,has disorder","235276","2020-10-21","18:00:00",""
"7236214","10.6863","0.0005","11.6232","0.0006","11.9288","0.0006","76.255","0.001","64.109","0.001","88.571","0.001","1289.5","0.11","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","7-Nitro-3-phenyl-3a,8b-dihydrofuro[3,2-b]benzofuran","","- C6.5 H6.5 N6.5 O6.5 -","- C16 H11 N O4 -","- C64 H44 N4 O16 -","4","2","","Hu, Xiao-Hui; Pu, Xiao-Qiu; Liu, Rui; Cui, Chun-Xiao; Yang, Jun; Yang, Xian-Jin","A facile access to cis-dihydrofurobenzofuran from 2-(2,5-dihydro-furan-2-yl)-phenol","RSC Advances","2016","6","63","58613","","10.1039/C6RA06840E","","","0.71073","MoKα","","0.0592","0.0406","","","0.111","0.1289","","","","","","1.04","","","","has coordinates","235277","2020-10-21","18:00:00",""
"7236215","9.795","0.005","22.599","0.005","7.252","0.005","90","0.005","105.001","0.005","90","0.005","1550.6","1.4","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H15 N O2 -","- C22 H15 N O2 -","- C88 H60 N4 O8 -","4","1","","Panja, Sumit Kumar; Dwivedi, Nidhi; Saha, Satyen","Highly stable naphthalene core based novel cleft-shaped strain molecule: influence of intermolecular H-bonding architectures","RSC Advances","2016","6","64","59574","","10.1039/C6RA06855C","","","0.71073","MoKα","","0.0654","0.045","","","0.0998","0.1123","","","","","","1.02","","","","has coordinates","235279","2020-10-21","18:00:00",""
"7236216","16.3005","0.0007","6.3588","0.0002","6.4725","0.0003","90","","90","","90","","670.89","0.05","153","2","153","2","","","","","","","","4","P b a m","-P 2 2ab","55","","","","- C H2 Ag2 N8 -","- C H4 Ag2 N8 -","- C4 H16 Ag8 N32 -","4","0.5","","Qu, Xiaoni; Yang, Qi; Han, Jing; Wei, Qing; Xie, Gang; Chen, Sanping; Gao, Shengli","High performance 5-aminotetrazole-based energetic MOF and its catalytic effect on decomposition of RDX","RSC Advances","2016","6","52","46212","","10.1039/C6RA07301H","","","0.71073","MoKα","","0.0444","0.0426","","","0.211","0.2145","","","","","","1.833","","","","has coordinates","235280","2020-10-21","18:00:00",""
"7236217","14.7833","0.0003","11.8128","0.0003","30.1691","0.0008","90","","100.552","0.002","90","","5179.4","0.2","295","2","295","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C30 H19 Cl N3 O3 Re -","- C30 H19 Cl N3 O3 Re -","- C240 H152 Cl8 N24 O24 Re8 -","8","2","","Klemens, Tomasz; Świtlicka-Olszewska, Anna; Machura, Barbara; Grucela, Marzena; Janeczek, Henryk; Schab-Balcerzak, Ewa; Szlapa, Agata; Kula, Slawomir; Krompiec, Stanisław; Smolarek, Karolina; Kowalska, Dorota; Mackowski, Sebastian; Erfurt, Karol; Lodowski, Piotr","Synthesis, photophysical properties and application in organic light emitting devices of rhenium(i) carbonyls incorporating functionalized 2,2′:6′,2′′-terpyridines","RSC Advances","2016","6","61","56335","","10.1039/C6RA08981J","","","0.71073","MoKα","","0.0385","0.0266","","","0.0512","0.0544","","","","","","1.04","","","","has coordinates","235282","2020-10-21","18:00:00",""
"7236218","9.4121","0.0006","20.5407","0.0009","11.8912","0.0007","90","","104.084","0.006","90","","2229.8","0.2","295","2","295","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C24 H14 Cl2 N3 O3 Re -","- C24 H14 Cl2 N3 O3 Re -","- C96 H56 Cl8 N12 O12 Re4 -","4","1","","Klemens, Tomasz; Świtlicka-Olszewska, Anna; Machura, Barbara; Grucela, Marzena; Janeczek, Henryk; Schab-Balcerzak, Ewa; Szlapa, Agata; Kula, Slawomir; Krompiec, Stanisław; Smolarek, Karolina; Kowalska, Dorota; Mackowski, Sebastian; Erfurt, Karol; Lodowski, Piotr","Synthesis, photophysical properties and application in organic light emitting devices of rhenium(i) carbonyls incorporating functionalized 2,2′:6′,2′′-terpyridines","RSC Advances","2016","6","61","56335","","10.1039/C6RA08981J","","","0.71073","MoKα","","0.054","0.0387","","","0.0677","0.0716","","","","","","1.106","","","","has coordinates","235282","2020-10-21","18:00:00",""
"7236219","9.4203","0.0006","20.6584","0.0008","11.8992","0.0007","90","","104.218","0.006","90","","2244.7","0.2","295","2","295","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C24 H14 Br Cl N3 O3 Re -","- C24 H14 Br Cl N3 O3 Re -","- C96 H56 Br4 Cl4 N12 O12 Re4 -","4","1","","Klemens, Tomasz; Świtlicka-Olszewska, Anna; Machura, Barbara; Grucela, Marzena; Janeczek, Henryk; Schab-Balcerzak, Ewa; Szlapa, Agata; Kula, Slawomir; Krompiec, Stanisław; Smolarek, Karolina; Kowalska, Dorota; Mackowski, Sebastian; Erfurt, Karol; Lodowski, Piotr","Synthesis, photophysical properties and application in organic light emitting devices of rhenium(i) carbonyls incorporating functionalized 2,2′:6′,2′′-terpyridines","RSC Advances","2016","6","61","56335","","10.1039/C6RA08981J","","","0.71073","MoKα","","0.0581","0.0451","","","0.0971","0.1036","","","","","","1.085","","","","has coordinates","235282","2020-10-21","18:00:00",""
"7236220","7.2934","0.0003","11.1958","0.0006","15.1296","0.0006","91.434","0.004","92.141","0.003","107.978","0.004","1173.41","0.1","295","2","295","2","","","","","","","","6","P -1","-P 1","2","","","","- C26 H20 Cl N4 O3 Re -","- C26 H20 Cl N4 O3 Re -","- C52 H40 Cl2 N8 O6 Re2 -","2","1","","Klemens, Tomasz; Świtlicka-Olszewska, Anna; Machura, Barbara; Grucela, Marzena; Janeczek, Henryk; Schab-Balcerzak, Ewa; Szlapa, Agata; Kula, Slawomir; Krompiec, Stanisław; Smolarek, Karolina; Kowalska, Dorota; Mackowski, Sebastian; Erfurt, Karol; Lodowski, Piotr","Synthesis, photophysical properties and application in organic light emitting devices of rhenium(i) carbonyls incorporating functionalized 2,2′:6′,2′′-terpyridines","RSC Advances","2016","6","61","56335","","10.1039/C6RA08981J","","","0.71073","MoKα","","0.0409","0.0309","","","0.0646","0.0863","","","","","","1.143","","","","has coordinates","235282","2020-10-21","18:00:00",""
"7236221","17.2707","0.0005","26.2035","0.0008","12.8526","0.0004","90","","98.014","0.002","90","","5759.7","0.3","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Hamada_167_19_10_15","","","- C30 H19 Cl4 N5 O2 -","- C30 H19 Cl4 N5 O2 -","- C240 H152 Cl32 N40 O16 -","8","2","","Behbehani, Haider; Ibrahim, Hamada Mohamed","An efficient ultrasonic-mediated one-pot synthesis of 2,3,6,7,9-pentaazabicyclo[3.3.1]nonanes via a N,N-dimethylformamide dimethylacetal catalyzed Mannich-like reaction","RSC Advances","2016","6","58","52700","","10.1039/C6RA09210A","","","1.54178","","","0.1869","0.089","","","0.2411","0.3199","","","","","","1.007","","","","has coordinates","235284","2020-10-21","18:00:00",""
"7236222","25.9316","0.0014","10.1997","0.0006","25.1998","0.0018","90","","104.459","0.007","90","","6454.1","0.7","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","3s","","","- C30 H29 Cl2 N7 O3 S3 -","- C30 H29 Cl2 N7 O3 S3 -","- C240 H232 Cl16 N56 O24 S24 -","8","1","","Behbehani, Haider; Ibrahim, Hamada Mohamed","An efficient ultrasonic-mediated one-pot synthesis of 2,3,6,7,9-pentaazabicyclo[3.3.1]nonanes via a N,N-dimethylformamide dimethylacetal catalyzed Mannich-like reaction","RSC Advances","2016","6","58","52700","","10.1039/C6RA09210A","","","0.71075","MoKα","","0.0618","0.0477","","","0.1411","0.1551","","","","","","1.122","","","","has coordinates,has disorder","235284","2020-10-21","18:00:00",""
"7236223","16.9635","0.0011","22.4316","0.0007","13.2574","0.0004","90","","98.895","0.007","90","","4984","0.4","150","","150","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C30 H21 F2 N5 O2 -","- C30 H21 F2 N5 O2 -","- C240 H168 F16 N40 O16 -","8","2","","Behbehani, Haider; Ibrahim, Hamada Mohamed","An efficient ultrasonic-mediated one-pot synthesis of 2,3,6,7,9-pentaazabicyclo[3.3.1]nonanes via a N,N-dimethylformamide dimethylacetal catalyzed Mannich-like reaction","RSC Advances","2016","6","58","52700","","10.1039/C6RA09210A","","","0.71075","MoKα","","","0.0548","","","","0.1437","","","","","","1.017","","","","has coordinates","235284","2020-10-21","18:00:00",""
"7236224","27.31","0.003","12.2123","0.0012","8.398","0.0008","90","","91.531","0.006","90","","2799.9","0.5","150","","150","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C32 H25 F2 N5 O2 -","- C32 H25 F2 N5 O2 -","- C128 H100 F8 N20 O8 -","4","1","","Behbehani, Haider; Ibrahim, Hamada Mohamed","An efficient ultrasonic-mediated one-pot synthesis of 2,3,6,7,9-pentaazabicyclo[3.3.1]nonanes via a N,N-dimethylformamide dimethylacetal catalyzed Mannich-like reaction","RSC Advances","2016","6","58","52700","","10.1039/C6RA09210A","","","0.71075","MoKα","","","0.0539","","","","0.1741","","","","","","1.071","","","","has coordinates","235284","2020-10-21","18:00:00",""
"7236225","8.1459","0.0005","10.9387","0.0005","17.8507","0.0009","88.824","0.004","88.463","0.004","88.991","0.004","1589.46","0.15","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C30 H26 Cl2 N8 O8 Ru -","- C30 H26 Cl2 N8 O8 Ru -","- C60 H52 Cl4 N16 O16 Ru2 -","2","1","","Patil, Sagar K.; Ghosh, Rajib; Kennedy, Princy; Mobin, Shaikh M.; Das, Dipanwita","Potential anion sensing properties by a redox and substitution series of [Ru(bpy)3−n(Hdpa)n]2+, n = 1‒3; Hdpa = 2,2′-dipyridylamine: selective recognition and stoichiometric binding with cyanide and fluoride ions","RSC Advances","2016","6","67","62310","","10.1039/C6RA09566F","","","0.71073","MoKα","","0.1003","0.0903","","","0.2689","0.2838","","","","","","1.166","","","","has coordinates","235286","2020-10-21","18:00:00",""
"7236226","13.0588","0.0003","13.0588","0.0003","31.5888","0.0011","90","","90","","120","","4665.2","0.2","293","2","293","2","","","","","","","","6","P 32 2 1","P 32 2""","154","","[Ru(bpy)2(dpa)](BF4)","","- C30 H24 B F4 N7 Ru -","- C30 H24 B F4 N7 Ru -","- C180 H144 B6 F24 N42 Ru6 -","6","1","","Patil, Sagar K.; Ghosh, Rajib; Kennedy, Princy; Mobin, Shaikh M.; Das, Dipanwita","Potential anion sensing properties by a redox and substitution series of [Ru(bpy)3−n(Hdpa)n]2+, n = 1‒3; Hdpa = 2,2′-dipyridylamine: selective recognition and stoichiometric binding with cyanide and fluoride ions","RSC Advances","2016","6","67","62310","","10.1039/C6RA09566F","","","0.71073","MoKα","","0.0982","0.0879","","","0.2427","0.2582","","","","","","1.108","","","","has coordinates","235286","2020-10-21","18:00:00",""
"7236227","11.555","0.004","10.932","0.004","20.204","0.007","90","","92.21","0.003","90","","2550.3","1.6","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C52 H60 Ag2 N10 O6 -","- C52 H60 Ag2 N10 O6 -","- C104 H120 Ag4 N20 O12 -","2","0.5","","Zhang, Han; Xu, Yuling; Wu, Huilu; Aderinto, Stephen Opeyemi; Fan, Xuyang","Mono-, bi- and multi-nuclear silver complexes constructed from bis(benzimidazole)-2-oxapropane ligands and methacrylate: syntheses, crystal structures, DNA-binding properties and antioxidant activities","RSC Advances","2016","6","87","83697","","10.1039/C6RA09733B","","","0.71073","MoKα","","0.0316","0.028","","","0.0775","0.0799","","","","","","1.071","","","","has coordinates","235288","2020-10-21","18:00:00",""
"7236228","9.0046","0.0004","12.9691","0.0009","13.8963","0.0009","70.317","0.006","79.808","0.005","73.946","0.005","1462.11","0.17","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C34 H31 Ag N4 O3 -","- C34 H31 Ag N4 O3 -","- C68 H62 Ag2 N8 O6 -","2","1","","Zhang, Han; Xu, Yuling; Wu, Huilu; Aderinto, Stephen Opeyemi; Fan, Xuyang","Mono-, bi- and multi-nuclear silver complexes constructed from bis(benzimidazole)-2-oxapropane ligands and methacrylate: syntheses, crystal structures, DNA-binding properties and antioxidant activities","RSC Advances","2016","6","87","83697","","10.1039/C6RA09733B","","","0.71073","MoKα","","0.0489","0.0365","","","0.0736","0.0813","","","","","","1.05","","","","has coordinates","235288","2020-10-21","18:00:00",""
"7236229","18.7281","0.0016","8.7563","0.0007","17.4903","0.0015","90","","92.334","0.001","90","","2865.8","0.4","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C30 H32 Ag2 N4 O5 -","- C30 H32 Ag2 N4 O5 -","- C120 H128 Ag8 N16 O20 -","4","0.5","","Zhang, Han; Xu, Yuling; Wu, Huilu; Aderinto, Stephen Opeyemi; Fan, Xuyang","Mono-, bi- and multi-nuclear silver complexes constructed from bis(benzimidazole)-2-oxapropane ligands and methacrylate: syntheses, crystal structures, DNA-binding properties and antioxidant activities","RSC Advances","2016","6","87","83697","","10.1039/C6RA09733B","","","0.71073","MoKα","","0.0267","0.0248","","","0.0636","0.069","","","","","","1.113","","","","has coordinates","235288","2020-10-21","18:00:00",""
"7236230","19.2891","0.0014","35.214","0.003","12.0446","0.0009","90","","90","","90","","8181.3","1.1","200","2","200","2","","","","","","","","6","F d d 2","F 2 -2d","43","","","","- C10 H28 N2 Na O16 Y -","- C10 H28 N2 Na O16 Y -","- C160 H448 N32 Na16 O256 Y16 -","16","1","","Holmberg, Rebecca J.; Korobkov, Ilia; Murugesu, Muralee","Enchaining EDTA-chelated lanthanide molecular magnets into ordered 1D networks","RSC Advances","2016","6","76","72510","","10.1039/C6RA09831B","","","0.71073","MoKα","","0.0776","0.0749","","","0.1985","0.201","","","","","","1.013","","","","has coordinates,has disorder","235290","2020-10-21","18:00:00",""
"7236231","35.4573","0.0008","19.4184","0.0004","12.0642","0.0003","90","","90","","90","","8306.5","0.3","200","2","200","2","","","","","","","","6","F d d 2","F 2 -2d","43","","","","- C10 H28 Dy N2 Na O16 -","- C10 H28 Dy N2 Na O16 -","- C160 H448 Dy16 N32 Na16 O256 -","16","1","","Holmberg, Rebecca J.; Korobkov, Ilia; Murugesu, Muralee","Enchaining EDTA-chelated lanthanide molecular magnets into ordered 1D networks","RSC Advances","2016","6","76","72510","","10.1039/C6RA09831B","","","0.71073","MoKα","","0.0571","0.057","","","0.136","0.1361","","","","","","1.056","","","","has coordinates,has disorder","235290","2020-10-21","18:00:00",""
"7236232","35.4574","0.0009","19.4184","0.0004","12.0642","0.0003","90","","90","","90","","8306.5","0.3","293","2","293","2","","","","","","","","6","F d d 2","F 2 -2d","43","","","","- C10 H28 Eu N2 Na O16 -","- C10 H28 Eu N2 Na O16 -","- C160 H448 Eu16 N32 Na16 O256 -","16","1","","Holmberg, Rebecca J.; Korobkov, Ilia; Murugesu, Muralee","Enchaining EDTA-chelated lanthanide molecular magnets into ordered 1D networks","RSC Advances","2016","6","76","72510","","10.1039/C6RA09831B","","","0.71073","MoKα","","0.0214","0.0213","","","0.0545","0.0545","","","","","","1.205","","","","has coordinates,has disorder","235290","2020-10-21","18:00:00",""
"7236233","35.306","0.003","19.2934","0.0015","12.0542","0.001","90","","90","","90","","8211","1.2","200","2","200","2","","","","","","","","6","F d d 2","F 2 -2d","43","","","","- C10 H28 N2 Na O16 Tb -","- C10 H28 N2 Na O16 Tb -","- C160 H448 N32 Na16 O256 Tb16 -","16","1","","Holmberg, Rebecca J.; Korobkov, Ilia; Murugesu, Muralee","Enchaining EDTA-chelated lanthanide molecular magnets into ordered 1D networks","RSC Advances","2016","6","76","72510","","10.1039/C6RA09831B","","","0.71073","MoKα","","0.0335","0.0333","","","0.0846","0.0847","","","","","","1.296","","","","has coordinates,has disorder","235290","2020-10-21","18:00:00",""
"7236234","11.954","0.002","9.278","0.0018","12.604","0.002","90","","93.422","0.003","90","","1395.4","0.4","296","2","296","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C17 H18 O3 -","- C17 H18 O3 -","- C68 H72 O12 -","4","1","","Hu, Jiadong; Xu, Dongyang; Zhang, Qiang; Shang, Yang; Shi, Mumin; Huangfu, Yucui; Liu, Leilei; Rong liang, Rong liang; Lai, Yisheng; He, Yupeng; Gao, Jin-ming; Xie, Weiqing","Tandem allylic alcohol isomerization/oxo-Michael addition reaction promoted by Re2O7","RSC Advances","2016","6","58","52583","","10.1039/C6RA10399E","","","0.71073","MoKα","","0.2297","0.1489","","","0.4068","0.4561","","","","","","1.46","","","","has coordinates","235292","2020-10-21","18:00:00",""
"7236235","8.8854","0.0004","11.6472","0.0005","16.093","0.0006","90","","101.034","0.002","90","","1634.68","0.12","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C34 H32 Cu3 N6 O10 -","- C34 H32 Cu3 N6 O10 -","- C68 H64 Cu6 N12 O20 -","2","0.5","","Datta, Amitabha; Das, Kuheli; Mane, Sandeep B.; Mendiratta, Shruti; El Fallah, Mohamed Salah; Garribba, Eugenio; Bauzá, Antonio; Frontera, Antonio; Hung, Chen-Hsiung; Sinha, Chittaranjan","A rare doubly nitrato and phenoxido bridged trimetallic CuII complex: EPR, antiferromagnetic coupling and theoretical rationalization","RSC Advances","2016","6","60","54856","","10.1039/C6RA10674A","","","0.71073","MoKα","","0.0435","0.0309","","","0.0669","0.0726","","","","","","1.002","","","","has coordinates","235294","2020-10-21","18:00:00",""
"7236236","13.594","0.004","14.583","0.003","15.223","0.003","117.706","0.011","91.142","0.011","108.782","0.016","2477.2","1.1","100","","100","","","","","","","","fungus Fusarium decemcellulare LG53","4","P 1","P 1","1","","","","- C30 H55 N5 O5 -","- C30 H55 N5 O5 -","- C90 H165 N15 O15 -","3","3","","Li, Gang; Kusari, Souvik; Golz, Christopher; Strohmann, Carsten; Spiteller, Michael","Three cyclic pentapeptides and a cyclic lipopeptide produced by endophytic Fusarium decemcellulare LG53","RSC Advances","2016","6","59","54092","","10.1039/C6RA10905E","","","1.54178","CuKα","","0.0501","0.0461","","","0.1148","0.1187","","","","","","1.05","","","","has coordinates","235296","2020-10-21","18:00:00",""
"7236237","11.9179","0.0014","12.1517","0.0014","15.1464","0.0018","102.667","0.002","92.928","0.002","100.128","0.001","2097.6","0.4","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C42 H47 Cu4 N5 O12 -","- C42 H47 Cu4 N5 O12 -","- C84 H94 Cu8 N10 O24 -","2","1","","Mitra, Merry; Kundu, Tanay; Kaur, Gurpreet; Sharma, Gyaneswar; Choudhury, Angshuman Roy; Singh, Yogesh; Ghosh, Rajarshi","Catecholase and phenoxazinone synthase activities of a ferromagnetically coupled tetranuclear Cu(ii) complex","RSC Advances","2016","6","63","58831","","10.1039/C6RA11433D","","","0.71073","MoKα","","0.0345","0.0272","","","0.0644","0.068","","","","","","1.047","","","","has coordinates","235298","2020-10-21","18:00:00",""
"7236238","9.0291","0.0001","14.3287","0.0003","14.8824","0.0003","90","","90","","90","","1925.41","0.06","123","2","123","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C22 H24 N2 O4 -","- C22 H24 N2 O4 -","- C88 H96 N8 O16 -","4","1","","Nazarian, Zohreh; Forsyth, Craig","Double cyclization of O-acylated hydroxyamides generates 1,6-dioxa-3,9-diazaspiro[4.4]nonanes a new class of oxy-oxazolidinones","RSC Advances","2016","6","60","55534","","10.1039/C6RA11604C","","","1.54184","CuKα","","0.0231","0.0226","","","0.0589","0.0595","","","","","","1.052","","","","has coordinates","235300","2020-10-21","18:00:00",""
"7236239","10.0012","0.0012","10.368","0.001","12.5874","0.0017","90","","90","","90","","1305.2","0.3","123","2","123","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C14 H16 N2 O4 -","- C14 H16 N2 O4 -","- C56 H64 N8 O16 -","4","1","","Nazarian, Zohreh; Forsyth, Craig","Double cyclization of O-acylated hydroxyamides generates 1,6-dioxa-3,9-diazaspiro[4.4]nonanes a new class of oxy-oxazolidinones","RSC Advances","2016","6","60","55534","","10.1039/C6RA11604C","","","1.54184","CuKα","","0.0242","0.0239","","","0.0619","0.0621","","","","","","1.091","","","","has coordinates","235300","2020-10-21","18:00:00",""
"7236240","10.1661","0.0006","8.2577","0.0004","10.5397","0.0006","90","","102.382","0.006","90","","864.21","0.08","123","2","123","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C20 H20 N2 O4 -","- C20 H20 N2 O4 -","- C40 H40 N4 O8 -","2","1","","Nazarian, Zohreh; Forsyth, Craig","Double cyclization of O-acylated hydroxyamides generates 1,6-dioxa-3,9-diazaspiro[4.4]nonanes a new class of oxy-oxazolidinones","RSC Advances","2016","6","60","55534","","10.1039/C6RA11604C","","","1.54184","CuKα","","0.0585","0.0569","","","0.1498","0.1525","","","","","","1.083","","","","has coordinates","235300","2020-10-21","18:00:00",""
"7236241","13.4929","0.0002","15.4584","0.0002","16.6251","0.0004","90","","123.758","0.001","90","","2882.97","0.1","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C31 H33 N2 P Se -","- C31 H33 N2 P Se -","- C124 H132 N8 P4 Se4 -","4","1","","Anga, Srinivas; Carpentier, Jean-François; Panda, Tarun K.; Roisnel, Thierry; Sarazin, Yann","Calcium complexes with imino-phosphinanilido chalcogenide ligands for heterofunctionalisation catalysis","RSC Advances","2016","6","63","57835","","10.1039/C6RA13117D","","","1.54184","CuKα","","0.0574","0.05","","","0.1407","0.1494","","","","","","1.047","","","","has coordinates","235303","2020-10-21","18:00:00",""
"7236242","10.204","0.004","16.193","0.007","17.708","0.007","65.515","0.014","85.943","0.012","73.318","0.014","2546.8","1.8","150","2","150","2","","","","","","","synthesis as described","8","P -1","-P 1","2","","","","- C41 H58 Ca N3 O P Se Si2 -","- C41 H58 Ca N3 O P Se Si2 -","- C82 H116 Ca2 N6 O2 P2 Se2 Si4 -","2","1","","Anga, Srinivas; Carpentier, Jean-François; Panda, Tarun K.; Roisnel, Thierry; Sarazin, Yann","Calcium complexes with imino-phosphinanilido chalcogenide ligands for heterofunctionalisation catalysis","RSC Advances","2016","6","63","57835","","10.1039/C6RA13117D","","x-ray","0.71073","MoKα","","0.1289","0.0879","","","0.2587","0.2821","","","","","","1.148","","","","has coordinates","235303","2020-10-21","18:00:00",""
"7236243","22.6518","0.0006","10.3398","0.0002","25.6988","0.0007","90","","115.912","0.003","90","","5413.9","0.3","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C62 H64 Ca N4 P2 S2 -","- C62 H64 Ca N4 P2 S2 -","- C248 H256 Ca4 N16 P8 S8 -","4","0.5","","Anga, Srinivas; Carpentier, Jean-François; Panda, Tarun K.; Roisnel, Thierry; Sarazin, Yann","Calcium complexes with imino-phosphinanilido chalcogenide ligands for heterofunctionalisation catalysis","RSC Advances","2016","6","63","57835","","10.1039/C6RA13117D","","","1.54184","CuKα","","0.0421","0.0372","","","0.0967","0.1017","","","","","","1.05","","","","has coordinates","235303","2020-10-21","18:00:00",""
"7236244","7.7545","0.0013","8.7537","0.0013","13.97","0.0011","75.507","0.01","83.103","0.01","65.615","0.015","836.1","0.2","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C28 H30 Cl4 Cu2 N6 O12 -","- C28 H30 Cl4 Cu2 N6 O12 -","- C28 H30 Cl4 Cu2 N6 O12 -","1","0.5","","Adak, Piyali; Ghosh, Bipinbihari; Bauzá, Antonio; Frontera, Antonio; Blake, Alexander J.; Corbella, Montserrat; Das Mukhopadhyay, Chitrangada; Chattopadhyay, Shyamal Kumar","Catecholase activity, DNA binding and cytotoxicity studies of a Cu(ii) complex of a pyridoxal schiff base: synthesis, X-ray crystal structure, spectroscopic, electrochemical and theoretical studies","RSC Advances","2016","6","90","86851","","10.1039/C6RA14059A","","x-ray","1.54184","CuKα","","0.061","0.0572","","","0.154","0.159","","","","","","1.043","","","","has coordinates","235305","2020-10-21","18:00:00",""
"7236245","8.4757","0.0006","23.0572","0.0018","9.7935","0.0008","90","","103.534","0.005","90","","1860.8","0.3","230","2","230","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C17 H24 N4 O2 S2 -","- C17 H24 N4 O2 S2 -","- C68 H96 N16 O8 S8 -","4","1","","Leeza Zaidi, Saadia; Agarwal, Subhash M.; Chavalitshewinkoon-Petmitr, Porntip; Suksangpleng, Thidarat; Ahmad, Kamal; Avecilla, Fernando; Azam, Amir","Thienopyrimidine sulphonamide hybrids: design, synthesis, antiprotozoal activity and molecular docking studies","RSC Advances","2016","6","93","90371","","10.1039/C6RA15181G","","","0.71073","MoKα","","0.0631","0.0437","","","0.1092","0.1222","","","","","","1.028","","","","has coordinates,has disorder","235308","2020-10-21","18:00:00",""
"7236246","16.3801","0.0011","10.1789","0.0007","24.6397","0.0019","90","","107.967","0.004","90","","3907.9","0.5","100","2","100","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C20 H22 N4 O2 S2 -","- C20 H22 N4 O2 S2 -","- C160 H176 N32 O16 S16 -","8","1","","Leeza Zaidi, Saadia; Agarwal, Subhash M.; Chavalitshewinkoon-Petmitr, Porntip; Suksangpleng, Thidarat; Ahmad, Kamal; Avecilla, Fernando; Azam, Amir","Thienopyrimidine sulphonamide hybrids: design, synthesis, antiprotozoal activity and molecular docking studies","RSC Advances","2016","6","93","90371","","10.1039/C6RA15181G","","","0.71073","MoKα","","0.0399","0.0327","","","0.0828","0.0876","","","","","","1.058","","","","has coordinates","235308","2020-10-21","18:00:00",""
"7236247","12.3881","0.0002","13.1663","0.0002","13.5475","0.0002","81.201","0.001","64.451","0.002","81.228","0.002","1960.84","0.06","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C92 H70 N4 O4 P4 Ru -","- C92 H70 N4 O4 P4 Ru -","- C92 H70 N4 O4 P4 Ru -","1","0.5","","Shen, Chang; Yu, Fei; Chu, Wing-Kin; Xiang, Jing; Tan, Peng; Luo, Ya; Feng, Hua; Guo, Zheng-Qing; Leung, Chi-Fai; Lau, Tai-Chu","Synthesis, structures and photophysical properties of luminescent cyanoruthenate(ii) complexes with hydroxylated bipyridine and phenanthroline ligands","RSC Advances","2016","6","90","87389","","10.1039/C6RA16319J","","","0.71073","MoKα","","0.0455","0.0375","","","0.1047","0.1079","","","","","","1.085","","","","has coordinates","235310","2020-10-21","18:00:00",""
"7236248","9.5781","0.0006","20.6594","0.0012","25.4364","0.0015","109.328","0.002","94.237","0.002","101.367","0.002","4603.5","0.5","123","2","123","2","","","","","","","","6","P -1","-P 1","2","","","","- C113 H84 N10 O6 P4 Ru2 -","- C113 H84 N10 O6 P4 Ru2 -","- C226 H168 N20 O12 P8 Ru4 -","2","1","","Shen, Chang; Yu, Fei; Chu, Wing-Kin; Xiang, Jing; Tan, Peng; Luo, Ya; Feng, Hua; Guo, Zheng-Qing; Leung, Chi-Fai; Lau, Tai-Chu","Synthesis, structures and photophysical properties of luminescent cyanoruthenate(ii) complexes with hydroxylated bipyridine and phenanthroline ligands","RSC Advances","2016","6","90","87389","","10.1039/C6RA16319J","","","0.71073","MoKα","","0.0683","0.0445","","","0.1052","0.1173","","","","","","0.951","","","","has coordinates,has disorder","235310","2020-10-21","18:00:00",""
"7236249","13.813","","33.186","","13.971","","90","","118.69","","90","","5618.03","","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C72 H40 K3 O67 -","- C72 H40 K3 O67 -","- C144 H80 K6 O134 -","2","1","","Sha, Jing-Quan; Zhong, Xiao-Hua; Wu, Lian-He; Liu, Guo-Dong; Sheng, Ning","Nontoxic and renewable metal‒organic framework based on α-cyclodextrin with efficient drug delivery","RSC Advances","2016","6","86","82977","","10.1039/C6RA16549D","","","0.71073","MoKα","","0.08","0.075","","","0.2096","0.217","","","","","","1.056","","","","has coordinates","235312","2020-10-21","18:00:00",""
"7236250","9.3667","0.0008","20.0172","0.0014","25.3123","0.0018","90","","90","","90","","4745.9","0.6","298","2","298","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C36 H14 O31 -","- C36 H14 O31 -","- C144 H56 O124 -","4","1","","Sha, Jing-Quan; Zhong, Xiao-Hua; Wu, Lian-He; Liu, Guo-Dong; Sheng, Ning","Nontoxic and renewable metal‒organic framework based on α-cyclodextrin with efficient drug delivery","RSC Advances","2016","6","86","82977","","10.1039/C6RA16549D","","","0.71073","MoKα","","0.1297","0.1003","","","0.2653","0.2911","","","","","","1.026","","","","has coordinates,has disorder","235312","2020-10-21","18:00:00",""
"7236251","13.971","0.005","9.619","0.005","27.144","0.005","90","0.005","101.106","0.005","90","0.005","3579","2","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C38 H25.5 N10 S2 Zn -","- C38 H28 N10 S2 Zn -","- C152 H112 N40 S8 Zn4 -","4","1","","Liu, Dan; Zhang, Na; Zhang, Xinyu; Kong, Shuai; Yu, Jianhua; Wu, Zhichao; Wu, Jieying; Tian, Yupeng; Zhou, Hongping","New zinc(ii) dyes with enhanced two-photon absorption cross sections based on the imidazolyl ligand","RSC Advances","2016","6","81","77849","","10.1039/C6RA16817E","","","0.71069","MoKα","","0.0656","0.0388","","","0.0869","0.0991","","","","","","1.006","","","","has coordinates","235315","2020-10-21","18:00:00",""
"7236252","10.1732","0.001","7.3747","0.0007","19.0117","0.0019","90","","94.747","0.002","90","","1421.4","0.2","293","2","293","2","","","","","","","synthesis as described","6","P 1 21/c 1","-P 2ybc","14","","","","- C16 H13 B F2 N2 O2 -","- C16 H13 B F2 N2 O2 -","- C64 H52 B4 F8 N8 O8 -","4","1","","Mtiraoui, Hasan; Gharbi, Rafik; Msaddek, Moncef; Bretonnière, Yann; Andraud, Chantal; Renard, Pierre-Yves; Sabot, Cyrille","Solution and solid-state fluorescence of 2-(2′-hydroxyphenyl)-1,5-benzodiazepin-2-one (HBD) borate complexes","RSC Advances","2016","6","89","86352","","10.1039/C6RA19246G","","x-ray","0.71073","MoKα","","0.042","0.0357","","","0.0977","0.1022","","","","","","1.061","","","","has coordinates,has disorder","235317","2020-10-21","18:00:00",""
"7236253","7.9203","0.0002","10.4738","0.0003","16.8627","0.0006","90","","90","","90","","1398.86","0.07","296","2","296","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C19 H14 N2 -","- C19 H14 N2 -","- C76 H56 N8 -","4","1","","Chen, Zhengwang; Wen, Yuelu; Luo, Guotian; Ye, Min; Wang, Qinghao","Transition-metal-free C‒C bond cleavage and formation: efficient synthesis of 2,3-diarylimidazo[1,2-α]pyridines from 2-aminopyridines and alkynoates","RSC Advances","2016","6","89","86464","","10.1039/C6RA19291B","","","0.71073","MoKα","","0.0838","0.0553","","","0.1258","0.1409","","","","","","1.06","","","","has coordinates","235319","2020-10-21","18:00:00",""
"7236254","14.437","0.0012","15.0453","0.0012","9.43","0.0008","90","","122.287","0.0009","90","","1731.6","0.2","173","","173","","","","","","","","","6","C 1 c 1","C -2yc","9","LiMM4411","","","- C10 H28 Li N O9 S2 -","- C10 H28 Li N O9 S2 -","- C40 H112 Li4 N4 O36 S8 -","4","1","","Hosseini-Bab-Anari, Elham; Boschin, Andrea; Mandai, Toshihiko; Masu, Hyuma; Moth-Poulsen, Kasper; Johansson, Patrik","Fluorine-free salts for aqueous lithium-ion and sodium-ion battery electrolytes","RSC Advances","2016","6","88","85194","","10.1039/C6RA19623C","","","0.71073","MoKα","","0.0354","0.0302","","","0.0642","0.0672","","","","","","1.072","","","","has coordinates","235321","2020-10-21","18:00:00",""
"7236255","29.6781","0.0016","10.9086","0.0006","9.8067","0.0005","90","","104.142","0.0006","90","","3078.7","0.3","173","","173","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","NaMM4411","","","- C10 H22 N Na O7 S2 -","- C10 H22 N Na O7 S2 -","- C80 H176 N8 Na8 O56 S16 -","8","1","","Hosseini-Bab-Anari, Elham; Boschin, Andrea; Mandai, Toshihiko; Masu, Hyuma; Moth-Poulsen, Kasper; Johansson, Patrik","Fluorine-free salts for aqueous lithium-ion and sodium-ion battery electrolytes","RSC Advances","2016","6","88","85194","","10.1039/C6RA19623C","","","0.71073","MoKα","","0.0462","0.0359","","","0.1228","0.1398","","","","","","1.051","","","","has coordinates","235321","2020-10-21","18:00:00",""
"7236256","29.155","0.003","11.0593","0.0013","31.58","0.005","90","","115.607","0.002","90","","9182","2","296.15","","296.15","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C44 H38.5 N2.5 O19 Tb3 -","- C44 H32.5 N2.5 O16 Tb3 -","- C352 H260 N20 O128 Tb24 -","8","1","","Zhang, Mengfei; Han, Jing; Wu, Haipeng; Wei, Qing; Xie, Gang; Chen, Sanping; Gao, Shengli","Tb-MOF: a naked-eye and regenerable fluorescent probe for selective and quantitative detection of Fe3+and Al3+ions","RSC Advances","2016","6","97","94622","","10.1039/C6RA20359K","","","0.71073","MoKα","","0.076","0.0422","","","0.096","0.1097","","","","","","1.01","","","","has coordinates,has disorder","235326","2020-10-21","18:00:00",""
"7236257","10.3931","0.0006","11.4141","0.0007","12.5948","0.0008","90","","100.798","0.006","90","","1467.64","0.16","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C15 H15 Cl F N O3 -","- C15 H15 Cl F N O3 -","- C60 H60 Cl4 F4 N4 O12 -","4","1","","Sharma, Chiranjeev; Singh, Ashawani K.; Joy, Jyothish; Jemmis, Eluvathingal D.; Awasthi, Satish K.","Experimental and theoretical study of intramolecular O⋯O interaction in structurally rigid β-keto carboxylic esters","RSC Advances","2016","6","94","91689","","10.1039/C6RA20483J","","","0.71073","MoKα","","0.0482","0.0418","","","0.1086","0.1129","","","","","","1.088","","","","has coordinates","235328","2020-10-21","18:00:00",""
"7236258","14.5283","0.0009","6.1794","0.0004","17.9542","0.0014","90","","101.022","0.007","90","","1582.13","0.19","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H15 Cl2 N O4 -","- C14 H15 Cl2 N O4 -","- C56 H60 Cl8 N4 O16 -","4","1","","Sharma, Chiranjeev; Singh, Ashawani K.; Joy, Jyothish; Jemmis, Eluvathingal D.; Awasthi, Satish K.","Experimental and theoretical study of intramolecular O⋯O interaction in structurally rigid β-keto carboxylic esters","RSC Advances","2016","6","94","91689","","10.1039/C6RA20483J","","","0.71073","MoKα","","0.0684","0.0563","","","0.1889","0.2059","","","","","","0.824","","","","has coordinates","235328","2020-10-21","18:00:00",""
"7236259","4.5426","0.0005","16.585","0.002","22.273","0.003","90","","92.979","0.012","90","","1675.8","0.4","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H21 N O6 -","- C16 H21 N O6 -","- C64 H84 N4 O24 -","4","1","","Sharma, Chiranjeev; Singh, Ashawani K.; Joy, Jyothish; Jemmis, Eluvathingal D.; Awasthi, Satish K.","Experimental and theoretical study of intramolecular O⋯O interaction in structurally rigid β-keto carboxylic esters","RSC Advances","2016","6","94","91689","","10.1039/C6RA20483J","","","0.71073","MoKα","","0.1088","0.0757","","","0.1671","0.1848","","","","","","1.129","","","","has coordinates","235328","2020-10-21","18:00:00",""
"7236260","6.2728","0.0006","9.4396","0.0011","26.241","0.004","90","","90","","90","","1553.8","0.3","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C15 H18 Cl N O4 -","- C15 H18 Cl N O4 -","- C60 H72 Cl4 N4 O16 -","4","1","","Sharma, Chiranjeev; Singh, Ashawani K.; Joy, Jyothish; Jemmis, Eluvathingal D.; Awasthi, Satish K.","Experimental and theoretical study of intramolecular O⋯O interaction in structurally rigid β-keto carboxylic esters","RSC Advances","2016","6","94","91689","","10.1039/C6RA20483J","","","0.71073","MoKα","","0.0643","0.0508","","","0.1096","0.1163","","","","","","1.023","","","","has coordinates","235328","2020-10-21","18:00:00",""
"7236261","11.8566","0.0005","19.7359","0.0008","26.2178","0.001","90","","100.164","0.004","90","","6038.7","0.4","296","2","296","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C36 H60 Mo5 N8 O34 P2 Zn2 -","- C36 H36 Mo5 N8 O34 P2 Zn2 -","- C144 H144 Mo20 N32 O136 P8 Zn8 -","4","1","","Gong, Chunhua; Zeng, Xianghua; Zhu, Chengfeng; Shu, Jiahui; Xiao, Pingxiu; Xu, Hao; Liu, Lichun; Zhang, Junyong; Zeng, Qingdao; Xie, Jingli","A series of organic‒inorganic hybrid materials consisting of flexible organic amine modified polyoxomolybdates: synthesis, structures and properties","RSC Advances","2016","6","108","106248","","10.1039/C6RA21603J","","x-ray","0.71073","MoKα","","0.0942","0.0731","","","0.1708","0.1789","","","","","","1.127","","","","has coordinates","235331","2020-10-21","18:00:00",""
"7236262","16.674","0.0004","15.927","0.0003","19.1977","0.0004","90","","90","","90","","5098.27","0.19","296","2","296","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C36 H36 Mo8 N8 O26 Zn2 -","- C36 H36 Mo8 N8 O26 Zn2 -","- C144 H144 Mo32 N32 O104 Zn8 -","4","0.5","","Gong, Chunhua; Zeng, Xianghua; Zhu, Chengfeng; Shu, Jiahui; Xiao, Pingxiu; Xu, Hao; Liu, Lichun; Zhang, Junyong; Zeng, Qingdao; Xie, Jingli","A series of organic‒inorganic hybrid materials consisting of flexible organic amine modified polyoxomolybdates: synthesis, structures and properties","RSC Advances","2016","6","108","106248","","10.1039/C6RA21603J","","","0.71073","MoKα","","0.0291","0.0214","","","0.0472","0.0495","","","","","","1.055","","","","has coordinates","235331","2020-10-21","18:00:00",""
"7236263","16.7082","0.0003","15.9095","0.0003","19.2987","0.0003","90","","90","","90","","5129.96","0.16","296","2","296","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C36 H36 Co2 Mo8 N8 O26 -","- C36 H36 Co2 Mo8 N8 O26 -","- C144 H144 Co8 Mo32 N32 O104 -","4","0.5","","Gong, Chunhua; Zeng, Xianghua; Zhu, Chengfeng; Shu, Jiahui; Xiao, Pingxiu; Xu, Hao; Liu, Lichun; Zhang, Junyong; Zeng, Qingdao; Xie, Jingli","A series of organic‒inorganic hybrid materials consisting of flexible organic amine modified polyoxomolybdates: synthesis, structures and properties","RSC Advances","2016","6","108","106248","","10.1039/C6RA21603J","","","0.71073","MoKα","","0.034","0.0237","","","0.0508","0.0547","","","","","","1.057","","","","has coordinates","235331","2020-10-21","18:00:00",""
"7236264","11.2559","0.0004","24.1685","0.0011","25.7463","0.0009","90","","100.287","0.004","90","","6891.4","0.5","296","2","296","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C42 H42 Mo12 N9 Ni2 O43 P -","- C42 H42 Mo12 N9 Ni2 O43 P -","- C168 H168 Mo48 N36 Ni8 O172 P4 -","4","1","","Gong, Chunhua; Zeng, Xianghua; Zhu, Chengfeng; Shu, Jiahui; Xiao, Pingxiu; Xu, Hao; Liu, Lichun; Zhang, Junyong; Zeng, Qingdao; Xie, Jingli","A series of organic‒inorganic hybrid materials consisting of flexible organic amine modified polyoxomolybdates: synthesis, structures and properties","RSC Advances","2016","6","108","106248","","10.1039/C6RA21603J","","","1.54184","CuKα","","0.0935","0.0525","","","0.1122","0.1315","","","","","","1.059","","","","has coordinates","235331","2020-10-21","18:00:00",""
"7236265","12.2553","0.0004","15.3666","0.0004","15.4604","0.0005","90","","110.489","0.004","90","","2727.35","0.16","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C36 H40 Mo8 N8 Ni2 O28 -","- C36 H40 Mo8 N8 Ni2 O28 -","- C72 H80 Mo16 N16 Ni4 O56 -","2","0.5","","Gong, Chunhua; Zeng, Xianghua; Zhu, Chengfeng; Shu, Jiahui; Xiao, Pingxiu; Xu, Hao; Liu, Lichun; Zhang, Junyong; Zeng, Qingdao; Xie, Jingli","A series of organic‒inorganic hybrid materials consisting of flexible organic amine modified polyoxomolybdates: synthesis, structures and properties","RSC Advances","2016","6","108","106248","","10.1039/C6RA21603J","","x-ray","0.71073","MoKα","","0.0394","0.0292","","","0.0634","0.0692","","","","","","1.0559","","","","has coordinates","235331","2020-10-21","18:00:00",""
"7236266","14.4947","0.0006","15.7549","0.0004","15.8183","0.0006","99.314","0.003","116.519","0.004","91.546","0.003","3169.4","0.2","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C72 H99 Cr3 Cu4 Mo18 N16 O76 -","- C72 H99 Cr3 Cu4 Mo18 N16 O76 -","- C72 H99 Cr3 Cu4 Mo18 N16 O76 -","1","0.5","","Gong, Chunhua; Zeng, Xianghua; Zhu, Chengfeng; Shu, Jiahui; Xiao, Pingxiu; Xu, Hao; Liu, Lichun; Zhang, Junyong; Zeng, Qingdao; Xie, Jingli","A series of organic‒inorganic hybrid materials consisting of flexible organic amine modified polyoxomolybdates: synthesis, structures and properties","RSC Advances","2016","6","108","106248","","10.1039/C6RA21603J","","x-ray","0.71073","MoKα","","0.0392","0.028","","","0.061","0.0651","","","","","","1.021","","","","has coordinates,has disorder","235331","2020-10-21","18:00:00",""
"7236267","16.876","0.0003","15.908","0.0003","18.9788","0.0003","90","","90","","90","","5095.11","0.15","296","2","296","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C36 H36 Cu2 Mo8 N8 O26 -","- C36 H36 Cu2 Mo8 N8 O26 -","- C144 H144 Cu8 Mo32 N32 O104 -","4","0.5","","Gong, Chunhua; Zeng, Xianghua; Zhu, Chengfeng; Shu, Jiahui; Xiao, Pingxiu; Xu, Hao; Liu, Lichun; Zhang, Junyong; Zeng, Qingdao; Xie, Jingli","A series of organic‒inorganic hybrid materials consisting of flexible organic amine modified polyoxomolybdates: synthesis, structures and properties","RSC Advances","2016","6","108","106248","","10.1039/C6RA21603J","","","0.71073","MoKα","","0.0386","0.026","","","0.0521","0.0582","","","","","","1.051","","","","has coordinates","235331","2020-10-21","18:00:00",""
"7236268","8.33","0.0017","22.67","0.005","16.96","0.003","90","","100.4","0.03","90","","3150.1","1.1","173.15","","173.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C29 H32 Cl5 Cr N3 -","- C29 H32 Cl5 Cr N3 -","- C116 H128 Cl20 Cr4 N12 -","4","1","","Zhang, Youfu; Huang, Chuanbing; Hao, Xiang; Hu, Xinquan; Sun, Wen-Hua","Accessing highly linear polyethylenes by 2-(1-aryliminoethyl)-7-arylimino-6,6-dimethylcyclopenta[b]pyridylchromium(iii) chlorides","RSC Advances","2016","6","94","91401","","10.1039/C6RA21914D","","","0.71073","MoKα","","0.1164","0.1035","","","0.191","0.1987","","","","","","1.0441","","","","has coordinates","235334","2020-10-21","18:00:00",""
"7236269","10.8752","0.0005","32.4799","0.0013","10.9891","0.0004","90","","98.199","0.003","90","","3842","0.3","295","2","295","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C18 H12 Cl3 N2 O3 Re -","- C18 H12 Cl3 N2 O3 Re -","- C144 H96 Cl24 N16 O24 Re8 -","8","2","","Świtlicka, Anna; Klemens, Tomasz; Machura, Barbara; Schab-Balcerzak, Ewa; Laba, Katarzyna; Lapkowski, Mieczyslaw; Grucela, Marzena; Nycz, Jacek; Szala, Marcin; Kania, Magdalena","Rhenium(i) complexes with phenanthrolines bearing electron-withdrawing Cl and electron-donating CH3 substituents ‒ synthesis, photophysical, thermal, and electrochemical properties with electroluminescence ability","RSC Advances","2016","6","114","112908","","10.1039/C6RA23935H","","","0.71073","MoKα","","0.0631","0.0494","","","0.0965","0.1008","","","","","","1.115","","","","has coordinates","235336","2020-10-21","18:00:00",""
"7236270","6.6848","0.0005","20.9252","0.0016","12.6551","0.0007","90","","100.71","0.007","90","","1739.4","0.2","295","2","295","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C15 H5 Cl4 N2 O3 Re -","- C15 H5 Cl4 N2 O3 Re -","- C60 H20 Cl16 N8 O12 Re4 -","4","1","","Świtlicka, Anna; Klemens, Tomasz; Machura, Barbara; Schab-Balcerzak, Ewa; Laba, Katarzyna; Lapkowski, Mieczyslaw; Grucela, Marzena; Nycz, Jacek; Szala, Marcin; Kania, Magdalena","Rhenium(i) complexes with phenanthrolines bearing electron-withdrawing Cl and electron-donating CH3 substituents ‒ synthesis, photophysical, thermal, and electrochemical properties with electroluminescence ability","RSC Advances","2016","6","114","112908","","10.1039/C6RA23935H","","","0.71073","MoKα","","0.0801","0.0566","","","0.1067","0.1122","","","","","","1.233","","","","has coordinates,has disorder","235336","2020-10-21","18:00:00",""
"7236271","8.3105","0.0003","9.7851","0.0004","12.3202","0.0005","84.319","0.003","85.261","0.003","67.529","0.004","920.16","0.07","295","2","295","2","","","","","","","","6","P -1","-P 1","2","","","","- C17 H10 Cl2 N3 O3 Re -","- C17 H10 Cl2 N3 O3 Re -","- C34 H20 Cl4 N6 O6 Re2 -","2","1","","Świtlicka, Anna; Klemens, Tomasz; Machura, Barbara; Schab-Balcerzak, Ewa; Laba, Katarzyna; Lapkowski, Mieczyslaw; Grucela, Marzena; Nycz, Jacek; Szala, Marcin; Kania, Magdalena","Rhenium(i) complexes with phenanthrolines bearing electron-withdrawing Cl and electron-donating CH3 substituents ‒ synthesis, photophysical, thermal, and electrochemical properties with electroluminescence ability","RSC Advances","2016","6","114","112908","","10.1039/C6RA23935H","","","0.71073","MoKα","","0.0404","0.0298","","","0.0484","0.0512","","","","","","0.971","","","","has coordinates","235336","2020-10-21","18:00:00",""
"7236272","7.8023","0.0003","19.2183","0.0008","16.1293","0.0006","90","","91.994","0.004","90","","2417.07","0.16","","","293","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C18 H20 N5 O14 Y Zn -","- C18 H20 N5 O14 Y Zn -","- C72 H80 N20 O56 Y4 Zn4 -","4","1","","Long, Jérôme; Mamontova, Ekaterina; Freitas, Vania; Luneau, Dominique; Vieru, Veacheslav; Chibotaru, Liviu F.; Ferreira, Rute A. S.; Félix, Gautier; Guari, Yannick; Carlos, Luis D.; Larionova, Joulia","Study of the influence of magnetic dilution over relaxation processes in a Zn/Dy single-ion magnet by correlation between luminescence and magnetism","RSC Advances","2016","6","110","108810","","10.1039/C6RA24115H","","x-ray","0.71073","MoKα","","0.0474","0.0368","","","0.0915","0.0982","","","","","","1.0509","","","","has coordinates,has disorder","235338","2020-10-21","18:00:00",""
"7236273","9.0364","0.00025","18.7601","0.0005","7.32887","0.00012","90","","105.84","0.0013","90","","1195.24","0.05","293","","293","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C11 H15 N2 O4 -","- C11 H15 N2 O4 -","- C44 H60 N8 O16 -","4","1","","Udagawa, Akihiro; Johnston, Priscilla; Sakon, Aya; Toyoshima, Ryosuke; Uekusa, Hidehiro; Koshima, Hideko; Saito, Kei; Asahi, Toru","Crystal-to-crystal photo-reversible polymerization mechanism of bis-thymine derivative","RSC Advances","2016","6","109","107317","","10.1039/C6RA24229D","powder diffraction","x-ray","1.54059","Kα~1~","","","","","","","","0.08759","","4.58","","","","","","","has coordinates","235340","2020-10-21","18:00:00",""
"7236292","10.5201","0.0003","16.2972","0.0004","20.9582","0.0006","68.652","0.002","80.004","0.002","71.759","0.002","3171.29","0.16","120","","120","","","","","","","","","4","P -1","-P 1","2","SFX-MeOTAD","2, 2?, 7, 7?-Tetrakis (N, N-di(4-methoxyphenyl)amino) - spiro (fluorene-9, 9?-xanthene)","","- C81 H68 N4 O9 -","- C81 H68 N4 O9 -","- C162 H136 N8 O18 -","2","1","","Maciejczyk, Michal; Ivaturi, Aruna; Robertson, Neil","SFX as a low-cost ‘Spiro’ hole-transport material for efficient perovskite solar cells","Journal of Materials Chemistry A","2016","4","13","4855","","10.1039/C6TA00110F","","x-ray","1.54184","CuKα","","0.0727","0.0609","","","0.1571","0.1668","","","","","","1.037","","","","has coordinates","235378","2020-10-21","18:00:00",""
"7236293","9.5612","0.0002","23.4614","0.0004","46.6024","0.001","90","","90","","90","","10453.8","0.4","150","","150","","","","","","","","","4","P b c a","-P 2ac 2ab","61","SFX-TCz","2, 2?, 7, 7?-Tetrakis (N, N- carbazolo) - spiro (fluorene-9, 9?-xanthene)","","- C73 H44 N4 O -","- C73 H44 N4 O -","- C584 H352 N32 O8 -","8","1","","Maciejczyk, Michal; Ivaturi, Aruna; Robertson, Neil","SFX as a low-cost ‘Spiro’ hole-transport material for efficient perovskite solar cells","Journal of Materials Chemistry A","2016","4","13","4855","","10.1039/C6TA00110F","","","0.71073","MoKα","","0.1404","0.0916","","","0.2309","0.2673","","","","","","1.039","","","","has coordinates,has disorder","235378","2020-10-21","18:00:00",""
"7236294","35.54","0.0014","9.8814","0.0002","36.3474","0.0014","90","","119.018","0.005","90","","11162.3","0.8","120","","120","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","SFX-TPTZ","2, 2?, 7, 7?-Tetrakis (N- phenothiazylo) - spiro (fluorene-9, 9?-xanthene)","","- C76 H51 N4 O S4 -","- C73 H44 N4 O S4 -","- C584 H352 N32 O8 S32 -","8","1","","Maciejczyk, Michal; Ivaturi, Aruna; Robertson, Neil","SFX as a low-cost ‘Spiro’ hole-transport material for efficient perovskite solar cells","Journal of Materials Chemistry A","2016","4","13","4855","","10.1039/C6TA00110F","","x-ray","1.54178","CuKα","","0.081","0.0698","","","0.1817","0.1953","","","","","","1.042","","","","has coordinates,has disorder","235378","2020-10-21","18:00:00",""
"7236295","28.1333","0.0009","28.1333","0.0009","69.411","0.005","90","","90","","120","","47577","4","293","2","293","2","","","","","","","","4","R -3 m :H","-R 3 2""","166","","","","- C96 H42 O16 Zr3 -","- C96 H42 O16 Zr3 -","- C1152 H504 O192 Zr36 -","12","0.333333","","Chen, Dashu; Xing, Hongzhu; Wang, Chungang; Su, Zhongmin","Highly efficient visible-light-driven CO2 reduction to formate by a new anthracene-based zirconium MOF via dual catalytic routes","Journal of Materials Chemistry A","2016","4","7","2657","","10.1039/C6TA00429F","","","0.71073","MoKα","","0.1125","0.0488","","","0.1289","0.1429","","","","","","0.927","","","","has coordinates","235380","2020-10-21","18:00:00",""
"7236296","7.0482","0.0007","15.5415","0.0018","9.6301","0.0009","90","","94.891","0.003","90","","1051.04","0.19","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C4 H7 N9 O6 -","- C4 H7 N9 O6 -","- C16 H28 N36 O24 -","4","1","","Zhao, X. X.; Li, S. H.; Wang, Y.; Li, Y. C.; Zhao, F. Q.; Pang, S. P.","Design and synthesis of energetic materials towards high density and positive oxygen balance by N-dinitromethyl functionalization of nitroazoles","Journal of Materials Chemistry A","2016","4","15","5495","","10.1039/C6TA01501H","","","0.71073","MoKα","","0.0786","0.0392","","","0.0763","0.0881","","","","","","1.028","","","","has coordinates","235384","2020-10-21","18:00:00",""
"7236297","6.3136","0.0005","15.3604","0.0013","9.3411","0.0008","90","","98.223","0.002","90","","896.58","0.13","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C3 H5.26 N7 O6.13 -","- C3 H5.256 N7 O6.128 -","- C12 H21.024 N28 O24.512 -","4","1","","Zhao, X. X.; Li, S. H.; Wang, Y.; Li, Y. C.; Zhao, F. Q.; Pang, S. P.","Design and synthesis of energetic materials towards high density and positive oxygen balance by N-dinitromethyl functionalization of nitroazoles","Journal of Materials Chemistry A","2016","4","15","5495","","10.1039/C6TA01501H","","","0.71073","MoKα","","0.0763","0.0424","","","0.0762","0.0865","","","","","","1.02","","","","has coordinates","235384","2020-10-21","18:00:00",""
"7236298","12.707","0.0008","11.6741","0.0008","10.8273","0.0008","90","","99.727","0.007","90","","1583.06","0.19","101.7","","101.7","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C4 H3 N5 O6 -","- C4 H3 N5 O6 -","- C32 H24 N40 O48 -","8","2","","Zhao, X. X.; Li, S. H.; Wang, Y.; Li, Y. C.; Zhao, F. Q.; Pang, S. P.","Design and synthesis of energetic materials towards high density and positive oxygen balance by N-dinitromethyl functionalization of nitroazoles","Journal of Materials Chemistry A","2016","4","15","5495","","10.1039/C6TA01501H","","","0.7107","MoKα","","0.0748","0.0587","","","0.1484","0.1637","","","","","","1.054","","","","has coordinates","235384","2020-10-21","18:00:00",""
"7236299","6.4094","0.0009","16.106","0.002","9.1462","0.0011","90","","100.123","0.004","90","","929.5","0.2","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C3 H6 N8 O6 -","- C3 H6 N8 O6 -","- C12 H24 N32 O24 -","4","1","","Zhao, X. X.; Li, S. H.; Wang, Y.; Li, Y. C.; Zhao, F. Q.; Pang, S. P.","Design and synthesis of energetic materials towards high density and positive oxygen balance by N-dinitromethyl functionalization of nitroazoles","Journal of Materials Chemistry A","2016","4","15","5495","","10.1039/C6TA01501H","","","0.71073","MoKα","","0.1081","0.0508","","","0.0931","0.1107","","","","","","1.027","","","","has coordinates","235384","2020-10-21","18:00:00",""
"7236300","9.1227","0.0005","7.064","0.0004","16.2597","0.0011","90","","103.139","0.006","90","","1020.39","0.11","98.7","","98.7","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C3 H6 N10 O6 -","- C3 H6 N10 O6 -","- C12 H24 N40 O24 -","4","1","","Zhao, X. X.; Li, S. H.; Wang, Y.; Li, Y. C.; Zhao, F. Q.; Pang, S. P.","Design and synthesis of energetic materials towards high density and positive oxygen balance by N-dinitromethyl functionalization of nitroazoles","Journal of Materials Chemistry A","2016","4","15","5495","","10.1039/C6TA01501H","","","0.7107","MoKα","","0.0448","0.0368","","","0.084","0.0893","","","","","","1.062","","","","has coordinates","235384","2020-10-21","18:00:00",""
"7236301","4.9109","0.0004","27.172","0.002","6.947","0.0006","90","","106.073","0.008","90","","890.76","0.13","101.7","","101.7","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C4 H5.54 N6 O6.54 -","- C4 H5.535 N6 O6.535 -","- C16 H22.14 N24 O26.14 -","4","1","","Zhao, X. X.; Li, S. H.; Wang, Y.; Li, Y. C.; Zhao, F. Q.; Pang, S. P.","Design and synthesis of energetic materials towards high density and positive oxygen balance by N-dinitromethyl functionalization of nitroazoles","Journal of Materials Chemistry A","2016","4","15","5495","","10.1039/C6TA01501H","","","0.7107","MoKα","","0.0542","0.0436","","","0.0979","0.1038","","","","","","1.09","","","","has coordinates","235384","2020-10-21","18:00:00",""
"7236302","11.481","0.003","6.6275","0.0016","12.722","0.003","90","","110.433","0.003","90","","907.1","0.4","153","2","153","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C3 H3 N7 O7 -","- C3 H3 N7 O7 -","- C12 H12 N28 O28 -","4","1","","Zhao, X. X.; Li, S. H.; Wang, Y.; Li, Y. C.; Zhao, F. Q.; Pang, S. P.","Design and synthesis of energetic materials towards high density and positive oxygen balance by N-dinitromethyl functionalization of nitroazoles","Journal of Materials Chemistry A","2016","4","15","5495","","10.1039/C6TA01501H","","","0.71073","MoKα","","0.0418","0.0402","","","0.0853","0.0862","","","","","","0.999","","","","has coordinates","235384","2020-10-21","18:00:00",""
"7236303","4.8027","0.0002","27.5834","0.0014","7.2531","0.0004","90","","104.94","0.006","90","","928.37","0.08","101.7","","101.7","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C4 H7 N7 O6 -","- C4 H7 N7 O6 -","- C16 H28 N28 O24 -","4","1","","Zhao, X. X.; Li, S. H.; Wang, Y.; Li, Y. C.; Zhao, F. Q.; Pang, S. P.","Design and synthesis of energetic materials towards high density and positive oxygen balance by N-dinitromethyl functionalization of nitroazoles","Journal of Materials Chemistry A","2016","4","15","5495","","10.1039/C6TA01501H","","","0.7107","MoKα","","0.0849","0.0771","","","0.1669","0.1726","","","","","","1.054","","","","has coordinates","235384","2020-10-21","18:00:00",""
"7236304","6.43139","0.00019","16.4647","0.0004","16.8638","0.0005","90","","90","","90","","1785.72","0.09","99.4","","99.4","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C2 H5 N9 O6 -","- C2 H5 N9 O6 -","- C16 H40 N72 O48 -","8","1","","Zhao, X. X.; Li, S. H.; Wang, Y.; Li, Y. C.; Zhao, F. Q.; Pang, S. P.","Design and synthesis of energetic materials towards high density and positive oxygen balance by N-dinitromethyl functionalization of nitroazoles","Journal of Materials Chemistry A","2016","4","15","5495","","10.1039/C6TA01501H","","","0.7107","MoKα","","0.04","0.0333","","","0.0772","0.0808","","","","","","1.034","","","","has coordinates","235384","2020-10-21","18:00:00",""
"7236305","8.0847","0.0003","7.5557","0.0003","14.1232","0.0006","90","","99.661","0.004","90","","850.49","0.06","98.7","","98.7","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C2 H4 N8 O6 -","- C2 H4 N8 O6 -","- C8 H16 N32 O24 -","4","1","","Zhao, X. X.; Li, S. H.; Wang, Y.; Li, Y. C.; Zhao, F. Q.; Pang, S. P.","Design and synthesis of energetic materials towards high density and positive oxygen balance by N-dinitromethyl functionalization of nitroazoles","Journal of Materials Chemistry A","2016","4","15","5495","","10.1039/C6TA01501H","","","0.7107","MoKα","","0.0393","0.0319","","","0.0744","0.0786","","","","","","1.07","","","","has coordinates","235384","2020-10-21","18:00:00",""
"7236306","4.9037","0.0003","25.6452","0.0014","7.3737","0.0004","90","","106.189","0.006","90","","890.52","0.09","101.7","","101.7","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C4 H6 N6 O6 -","- C4 H6 N6 O6 -","- C16 H24 N24 O24 -","4","1","","Zhao, X. X.; Li, S. H.; Wang, Y.; Li, Y. C.; Zhao, F. Q.; Pang, S. P.","Design and synthesis of energetic materials towards high density and positive oxygen balance by N-dinitromethyl functionalization of nitroazoles","Journal of Materials Chemistry A","2016","4","15","5495","","10.1039/C6TA01501H","","","0.7107","MoKα","","0.0542","0.0397","","","0.0807","0.0884","","","","","","1.085","","","","has coordinates","235384","2020-10-21","18:00:00",""
"7236307","8.1268","0.0005","9.3064","0.0004","14.0786","0.0009","90","","92.296","0.007","90","","1063.93","0.11","101.8","","101.8","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C5 H8 N8 O6 -","- C5 H8 N8 O6 -","- C20 H32 N32 O24 -","4","1","","Zhao, X. X.; Li, S. H.; Wang, Y.; Li, Y. C.; Zhao, F. Q.; Pang, S. P.","Design and synthesis of energetic materials towards high density and positive oxygen balance by N-dinitromethyl functionalization of nitroazoles","Journal of Materials Chemistry A","2016","4","15","5495","","10.1039/C6TA01501H","","","0.7107","MoKα","","0.0512","0.0403","","","0.0943","0.1023","","","","","","1.087","","","","has coordinates","235384","2020-10-21","18:00:00",""
"7236308","6.4054","0.0009","15.829","0.002","8.9085","0.001","90","","99.085","0.004","90","","891.9","0.2","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C3 H5 N7 O7 -","- C3 H5 N7 O7 -","- C12 H20 N28 O28 -","4","1","","Zhao, X. X.; Li, S. H.; Wang, Y.; Li, Y. C.; Zhao, F. Q.; Pang, S. P.","Design and synthesis of energetic materials towards high density and positive oxygen balance by N-dinitromethyl functionalization of nitroazoles","Journal of Materials Chemistry A","2016","4","15","5495","","10.1039/C6TA01501H","","","0.71073","MoKα","","0.0941","0.0458","","","0.068","0.0787","","","","","","1.03","","","","has coordinates","235384","2020-10-21","18:00:00",""
"7236309","10.859","0.002","15.719","0.003","17.294","0.003","90","","100.957","0.003","90","","2898.1","0.9","153","2","153","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Co-BTM-AG","","- C12 H27 Co N36 -","- C12 H27 Co N36 -","- C48 H108 Co4 N144 -","4","1","","Feng, Yongan; Bi, Yangang; Zhao, Wenyuan; Zhang, Tonglai","Anionic metal‒organic frameworks lead the way to eco-friendly high-energy-density materials","Journal of Materials Chemistry A","2016","4","20","7596","","10.1039/C6TA02340A","","","0.71073","MoKα","","0.0619","0.0547","","","0.1511","0.1593","","","","","","1.002","","","","has coordinates","235389","2020-10-21","18:00:00",""
"7236310","11.59","0.005","10.2064","0.0005","8.269","0.004","90","","107.1","0.05","90","","934.9","0.7","101.8","","101.8","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Cu-BTM-AG","","- C8 H18 Cu N24 -","- C8 H18 Cu N24 -","- C16 H36 Cu2 N48 -","2","0.5","","Feng, Yongan; Bi, Yangang; Zhao, Wenyuan; Zhang, Tonglai","Anionic metal‒organic frameworks lead the way to eco-friendly high-energy-density materials","Journal of Materials Chemistry A","2016","4","20","7596","","10.1039/C6TA02340A","","","0.7107","MoKα","","0.0333","0.0293","","","0.0663","0.068","","","","","","1.091","","","","has coordinates","235389","2020-10-21","18:00:00",""
"7236311","7.6782","0.0004","10.4292","0.0006","8.3545","0.0004","90","","112.18","0.003","90","","619.5","0.06","100","","100","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C6 H4 N8 O10 -","- C6 H4 N8 O10 -","- C12 H8 N16 O20 -","2","0.5","","Zhang, Jiaheng; Yin, Ping; Mitchell, Lauren A.; Parrish, Damon A.; Shreeve, Jean'ne M.","N-functionalized nitroxy/azido fused-ring azoles as high-performance energetic materials","Journal of Materials Chemistry A","2016","4","19","7430","","10.1039/C6TA02384C","","x-ray","1.54178","CuKα","","0.053","0.04","","","0.0864","0.0924","","","","","","1.1","","","","has coordinates","235391","2020-10-21","18:00:00",""
"7236312","10.523","0.007","5.429","0.004","10.246","0.007","90","","105.233","0.01","90","","564.8","0.7","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C6 H4 N8 O8 -","- C6 H4 N8 O8 -","- C12 H8 N16 O16 -","2","0.5","","Zhang, Jiaheng; Yin, Ping; Mitchell, Lauren A.; Parrish, Damon A.; Shreeve, Jean'ne M.","N-functionalized nitroxy/azido fused-ring azoles as high-performance energetic materials","Journal of Materials Chemistry A","2016","4","19","7430","","10.1039/C6TA02384C","","","0.71073","MoKα","","0.0793","0.0445","","","0.1229","0.1609","","","","","","1.04","","","","has coordinates,has disorder","235391","2020-10-21","18:00:00",""
"7236313","12.7227","0.0014","11.8045","0.0013","8.1445","0.0009","90","","96.2","0.004","90","","1216","0.2","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C7 H4 N8 O8 -","- C7 H4 N8 O8 -","- C28 H16 N32 O32 -","4","1","","Zhang, Jiaheng; Yin, Ping; Mitchell, Lauren A.; Parrish, Damon A.; Shreeve, Jean'ne M.","N-functionalized nitroxy/azido fused-ring azoles as high-performance energetic materials","Journal of Materials Chemistry A","2016","4","19","7430","","10.1039/C6TA02384C","","","0.71073","MoKα","","0.0963","0.0479","","","0.1182","0.1411","","","","","","1.012","","","","has coordinates","235391","2020-10-21","18:00:00",""
"7236314","6.4891","0.0003","8.1203","0.0004","13.7172","0.0007","98.647","0.001","92.085","0.001","109.154","0.002","672.18","0.06","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C6 H4 N10 O10 -","- C6 H4 N10 O10 -","- C12 H8 N20 O20 -","2","1","","Zhang, Jiaheng; Yin, Ping; Mitchell, Lauren A.; Parrish, Damon A.; Shreeve, Jean'ne M.","N-functionalized nitroxy/azido fused-ring azoles as high-performance energetic materials","Journal of Materials Chemistry A","2016","4","19","7430","","10.1039/C6TA02384C","","","0.71073","MoKα","","0.0426","0.0333","","","0.0862","0.094","","","","","","1.088","","","","has coordinates","235391","2020-10-21","18:00:00",""
"7236315","5.3875","0.0003","29.3488","0.0015","5.9481","0.0003","90","","113.925","0.002","90","","859.68","0.08","296","2","296","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C6 H9 N7 -","- C6 H9 N7 -","- C24 H36 N28 -","4","1","","Kumar, Dheeraj; He, Chunlin; Mitchell, Lauren A.; Parrish, Damon A.; Shreeve, Jean'ne M.","Connecting energetic nitropyrazole and aminotetrazole moieties with N,N′-ethylene bridges: A promising approach for fine tuning energetic properties","Journal of Materials Chemistry A","2016","4","23","9220","","10.1039/C6TA02387H","","","0.71073","MoKα","","0.0778","0.0492","","","0.1102","0.1209","","","","","","1.054","","","","has coordinates","235393","2020-10-21","18:00:00",""
"7236316","13.6239","0.0004","8.6674","0.0003","10.3971","0.0003","90","","109.82","0.001","90","","1155","0.06","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C6 H9 N9 O5 -","- C6 H9 N9 O5 -","- C24 H36 N36 O20 -","4","1","","Kumar, Dheeraj; He, Chunlin; Mitchell, Lauren A.; Parrish, Damon A.; Shreeve, Jean'ne M.","Connecting energetic nitropyrazole and aminotetrazole moieties with N,N′-ethylene bridges: A promising approach for fine tuning energetic properties","Journal of Materials Chemistry A","2016","4","23","9220","","10.1039/C6TA02387H","","","0.71073","MoKα","","0.0501","0.0363","","","0.104","0.1149","","","","","","0.972","","","","has coordinates","235393","2020-10-21","18:00:00",""
"7236317","6.7935","0.0003","16.52","0.0007","8.3969","0.0004","90","","98.104","0.002","90","","932.96","0.07","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C6 H8 N8 O -","- C6 H8 N8 O -","- C24 H32 N32 O4 -","4","1","","Kumar, Dheeraj; He, Chunlin; Mitchell, Lauren A.; Parrish, Damon A.; Shreeve, Jean'ne M.","Connecting energetic nitropyrazole and aminotetrazole moieties with N,N′-ethylene bridges: A promising approach for fine tuning energetic properties","Journal of Materials Chemistry A","2016","4","23","9220","","10.1039/C6TA02387H","","","0.71073","MoKα","","0.0726","0.0371","","","0.0891","0.1011","","","","","","1.049","","","","has coordinates","235393","2020-10-21","18:00:00",""
"7236318","20.688","0.004","5.4867","0.0011","12.0035","0.0019","90","","104.552","0.012","90","","1318.8","0.4","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C6 H6 Cl N10 O7 -","- C6 H6 Cl N10 O7 -","- C24 H24 Cl4 N40 O28 -","4","1","","Kumar, Dheeraj; He, Chunlin; Mitchell, Lauren A.; Parrish, Damon A.; Shreeve, Jean'ne M.","Connecting energetic nitropyrazole and aminotetrazole moieties with N,N′-ethylene bridges: A promising approach for fine tuning energetic properties","Journal of Materials Chemistry A","2016","4","23","9220","","10.1039/C6TA02387H","","","1.54178","CuKα","","0.1011","0.0743","","","0.1752","0.1893","","","","","","1.136","","","","has coordinates","235393","2020-10-21","18:00:00",""
"7236319","8.6681","0.0016","9.2226","0.0017","14.411","0.003","90","","103.053","0.002","90","","1122.3","0.4","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C5 H7 Br N6 O6 -","- C5 H7 Br N6 O6 -","- C20 H28 Br4 N24 O24 -","4","1","","Kumar, Dheeraj; He, Chunlin; Mitchell, Lauren A.; Parrish, Damon A.; Shreeve, Jean'ne M.","Connecting energetic nitropyrazole and aminotetrazole moieties with N,N′-ethylene bridges: A promising approach for fine tuning energetic properties","Journal of Materials Chemistry A","2016","4","23","9220","","10.1039/C6TA02387H","","","0.71073","MoKα","","0.0256","0.0228","","","0.0538","0.0551","","","","","","1.086","","","","has coordinates","235393","2020-10-21","18:00:00",""
"7236320","7.1049","0.0002","9.063","0.0003","17.4419","0.0005","93.227","0.002","100.858","0.002","92.641","0.002","1099.42","0.06","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C6 H8 N10 O4 -","- C6 H8 N10 O4 -","- C24 H32 N40 O16 -","4","2","","Kumar, Dheeraj; He, Chunlin; Mitchell, Lauren A.; Parrish, Damon A.; Shreeve, Jean'ne M.","Connecting energetic nitropyrazole and aminotetrazole moieties with N,N′-ethylene bridges: A promising approach for fine tuning energetic properties","Journal of Materials Chemistry A","2016","4","23","9220","","10.1039/C6TA02387H","","","1.54178","CuKα","","0.0958","0.0571","","","0.1364","0.162","","","","","","1.02","","","","has coordinates","235393","2020-10-21","18:00:00",""
"7236321","14.623","0.0005","18.453","0.0006","10.3923","0.0003","90","","90","","90","","2804.24","0.16","147","2","147","2","","","","","","","","5","P n m a","-P 2ac 2n","62","Cl-BsubNc","(Chloro)(subnaphthalocyaninato)boron","","- C36 H16.87 B Cl2.13 N6 -","- C36 H16.866 B Cl2.134 N6 -","- C144 H67.464 B4 Cl8.536 N24 -","4","0.5","","Dang, Jeremy D.; Josey, David S.; Lough, Alan J.; Li, Yiying; Sifate, Alaa; Lu, Zheng-Hong; Bender, Timothy P.","The mixed alloyed chemical composition of chloro-(chloro)n-boron subnaphthalocyanines dictates their physical properties and performance in organic photovoltaic devices","Journal of Materials Chemistry A","2016","4","24","9566","","10.1039/C6TA02457B","","","1.54178","CuKα","","0.06","0.0494","","","0.1263","0.1366","","","","","","1.042","","","","has coordinates,has disorder","235395","2020-10-21","18:00:00",""
"7236322","14.9062","0.0005","18.3548","0.0006","10.7766","0.0003","90","","90","","90","","2948.48","0.16","147","2","147","2","","","","","","","","5","P n m a","-P 2ac 2n","62","Cl-BsubNc","(Chloro)(subnaphthalocyaninato)boron","","- C36 H15.04 B Cl3.96 N6 -","- C36 H15.042 B Cl3.958 N6 -","- C144 H60.168 B4 Cl15.832 N24 -","4","0.5","","Dang, Jeremy D.; Josey, David S.; Lough, Alan J.; Li, Yiying; Sifate, Alaa; Lu, Zheng-Hong; Bender, Timothy P.","The mixed alloyed chemical composition of chloro-(chloro)n-boron subnaphthalocyanines dictates their physical properties and performance in organic photovoltaic devices","Journal of Materials Chemistry A","2016","4","24","9566","","10.1039/C6TA02457B","","","1.54178","CuKα","","0.0486","0.041","","","0.1005","0.1084","","","","","","1.095","","","","has coordinates,has disorder","235395","2020-10-21","18:00:00",""
"7236323","6.1712","0.0003","8.0425","0.0005","10.4934","0.0004","90","","98.806","0.004","90","","514.67","0.05","293","2","293","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C4 H20 B2 N P -","- C4 H20 B2 N P -","- C8 H40 B4 N2 P2 -","2","0.5","","Zhang, Wenquan; Qi, Xiujuan; Huang, Shi; Li, Jianling; Tang, Chenglong; Li, Jinshan; Zhang, Qinghua","Bis(borano)hypophosphite-based ionic liquids as ultrafast-igniting hypergolic fuels","Journal of Materials Chemistry A","2016","4","23","8978","","10.1039/C6TA02699K","","","1.54184","CuKα","","0.0674","0.0614","","","0.177","0.1863","","","","","","1.116","","","","has coordinates,has disorder","235397","2020-10-21","18:00:00",""
"7236324","18.6923","0.0004","18.6923","0.0004","38.2023","0.0006","90","","90","","120","","11559.7","0.4","150.02","0.1","150.02","0.1","","","","","","","","5","R -3 m :H","-R 3 2""","166","","","","- C11.5 H4 Cu N0 O6 -","- C11.5 H4 Cu O6 -","- C207 H72 Cu18 O108 -","18","0.5","","Liu, Xiuping; Xiao, Zhenyu; Xu, Jing; Xu, Wenbin; Sang, Pengpeng; Zhao, Lianming; Zhu, Houyu; Sun, Daofeng; Guo, Wenyue","A NbO-type copper metal‒organic framework decorated with carboxylate groups exhibiting highly selective CO2adsorption and separation of organic dyes","Journal of Materials Chemistry A","2016","4","36","13844","","10.1039/C6TA02908F","","","1.54184","CuKα","","0.0833","0.0789","","","0.2742","0.2887","","","","","","1.344","","","","has coordinates","235398","2020-10-21","18:00:00",""
"7236325","18.302","0.007","5.631","0.002","11.142","0.004","90","","97.094","0.01","90","","1139.5","0.7","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C6 H6 Cl N9 O4 -","- C6 H6 Cl N9 O4 -","- C24 H24 Cl4 N36 O16 -","4","1","","Kumar, Dheeraj; Mitchell, Lauren A.; Parrish, Damon A.; Shreeve, Jean'ne M.","Asymmetric N,N′-ethylene-bridged azole-based compounds: Two way control of the energetic properties of compounds","Journal of Materials Chemistry A","2016","4","25","9931","","10.1039/C6TA03536A","","","0.71073","MoKα","","0.1","0.0751","","","0.2088","0.2396","","","","","","1.033","","","","has coordinates","235401","2020-10-21","18:00:00",""
"7236326","7.9667","0.0005","12.8656","0.0009","10.6222","0.0007","90","","108.131","0.002","90","","1034.68","0.12","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C5 H6 N10 O4 -","- C5 H6 N10 O4 -","- C20 H24 N40 O16 -","4","1","","Kumar, Dheeraj; Mitchell, Lauren A.; Parrish, Damon A.; Shreeve, Jean'ne M.","Asymmetric N,N′-ethylene-bridged azole-based compounds: Two way control of the energetic properties of compounds","Journal of Materials Chemistry A","2016","4","25","9931","","10.1039/C6TA03536A","","","0.71073","MoKα","","0.0595","0.037","","","0.0812","0.0903","","","","","","1.018","","","","has coordinates","235401","2020-10-21","18:00:00",""
"7236327","10.042","0.008","6.453","0.005","27.04","0.02","90","","99.147","0.011","90","","1730","2","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C4 H6 N10 O2 -","- C4 H6 N10 O2 -","- C32 H48 N80 O16 -","8","2","","Kumar, Dheeraj; Mitchell, Lauren A.; Parrish, Damon A.; Shreeve, Jean'ne M.","Asymmetric N,N′-ethylene-bridged azole-based compounds: Two way control of the energetic properties of compounds","Journal of Materials Chemistry A","2016","4","25","9931","","10.1039/C6TA03536A","","","0.71073","MoKα","","0.1221","0.0933","","","0.2689","0.2974","","","","","","1.143","","","","has coordinates","235401","2020-10-21","18:00:00",""
"7236328","14.8551","0.0019","5.9407","0.0007","28.617","0.003","90","","105.001","0.009","90","","2439.4","0.5","150","2","150","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C6 H6 N14 O2 -","- C6 H6 N14 O2 -","- C48 H48 N112 O16 -","8","1","","Kumar, Dheeraj; Mitchell, Lauren A.; Parrish, Damon A.; Shreeve, Jean'ne M.","Asymmetric N,N′-ethylene-bridged azole-based compounds: Two way control of the energetic properties of compounds","Journal of Materials Chemistry A","2016","4","25","9931","","10.1039/C6TA03536A","","","0.71073","MoKα","","0.1369","0.0631","","","0.1467","0.1752","","","","","","1.02","","","","has coordinates","235401","2020-10-21","18:00:00",""
"7236329","10.7252","0.0007","8.3018","0.0006","11.0809","0.0007","90","","106.203","0.003","90","","947.44","0.11","100","","100","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C4 H2 N8 O8 -","- C4 H2 N8 O8 -","- C16 H8 N32 O32 -","4","1","","He, Chunlin; Tang, Yongxing; Mitchell, Lauren A.; Parrish, Damon A.; Shreeve, Jean'ne M.","N-Oxides light up energetic performances: synthesis and characterization of dinitraminobisfuroxans and their salts","Journal of Materials Chemistry A","2016","4","23","8969","","10.1039/C6TA03619H","","x-ray","0.71073","MoKα","","0.0416","0.0307","","","0.0692","0.0743","","","","","","1.043","","","","has coordinates","235403","2020-10-21","18:00:00",""
"7236330","5.7692","0.0007","7.321","0.001","8.4065","0.001","64.804","0.004","87.429","0.004","67.479","0.004","293.79","0.07","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C4 H8 N10 O8 -","- C4 H8 N10 O8 -","- C4 H8 N10 O8 -","1","0.5","","He, Chunlin; Tang, Yongxing; Mitchell, Lauren A.; Parrish, Damon A.; Shreeve, Jean'ne M.","N-Oxides light up energetic performances: synthesis and characterization of dinitraminobisfuroxans and their salts","Journal of Materials Chemistry A","2016","4","23","8969","","10.1039/C6TA03619H","","","0.71073","MoKα","","0.0337","0.0314","","","0.09","0.0922","","","","","","1.056","","","","has coordinates","235403","2020-10-21","18:00:00",""
"7236331","36.24","0.004","36.24","","36.24","","90","","90","","90","","47595","5","123","2","123","2","","","","","","","","5","F m -3 m","-F 4 2 3","225","","","","- C928 H496 Cu96 N32 O456 -","- C928.32 H498.24 Cu96 N31.68 O456 -","- C928.32 H498.24 Cu96 N31.68 O456 -","1","0.00520833","","Liu, Jianqiang; Liu, Guoliang; Gu, Chuying; Liu, Weicong; Xu, Jingwen; Li, Baohong; Wang, Wenjing","Rational synthesis of a novel 3,3,5-c polyhedral metal‒organic framework with high thermal stability and hydrogen storage capability","Journal of Materials Chemistry A","2016","4","30","11630","","10.1039/C6TA03675A","","","0.71073","MoKα","","0.1138","0.0909","","","0.2623","0.2816","","","","","","1.188","","","","has coordinates,has disorder","235406","2020-10-21","18:00:00",""
"7236332","8.5821","0.0003","8.5821","0.0003","21.7678","0.0008","90","","90","","120","","1388.46","0.09","293","2","293","2","","","","","","","","5","P 63/m m c","-P 6c 2c","194","MAIB","Trimethylammonium dibismuth nonaiodide","","- C3 H9 Bi2 I9 N3 -","- C3 Bi2 I9 N3 -","- C6 Bi4 I18 N6 -","2","0.0833333","","Abulikemu, Mutalifu; Ould-Chikh, Samy; Miao, Xiaohe; Alarousu, Erkki; Murali, Banavoth; Ngongang Ndjawa, Guy Olivier; Barbé, Jérémy; El Labban, Abdulrahman; Amassian, Aram; Del Gobbo, Silvano","Optoelectronic and photovoltaic properties of the air-stable organohalide semiconductor (CH3NH3)3Bi2I9","Journal of Materials Chemistry A","2016","4","32","12504","","10.1039/C6TA04657F","","x-ray","0.71073","MoKα","","0.0422","0.0357","","","0.0909","0.0959","","","","","","1.105","","","","has coordinates","235409","2020-10-21","18:00:00",""
"7236333","23.3588","0.0003","23.3588","0.0003","31.3531","0.001","90","","90","","90","","17107.3","0.6","103","2","103","2","","","","","","","","6","I 41/a :2","-I 4ad","88","","","","- C54 H36 Co3 N42 O0 S6 -","- C54 H36 Co3 N42 S6 -","- C432 H288 Co24 N336 S48 -","8","0.5","","Liang, Linfeng; Chen, Qihui; Jiang, Feilong; Yuan, Daqiang; Qian, Jinjie; Lv, Guangxun; Xue, Hui; Liu, Luyao; Jiang, Hai-Long; Hong, Maochun","In situ large-scale construction of sulfur-functionalized metal‒organic framework and its efficient removal of Hg(ii) from water","Journal of Materials Chemistry A","2016","4","40","15370","","10.1039/C6TA04927C","","","1.54184","CuKα","","0.0983","0.0839","","","0.2475","0.2598","","","","","","1.067","","","","has coordinates","235411","2020-10-21","18:00:00",""
"7236334","10.0682","0.0005","9.943","0.0005","10.5715","0.0006","90","","97.524","0.001","90","","1049.18","0.1","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C4 H9 N11 O3 -","- C4 H9 N11 O3 -","- C16 H36 N44 O12 -","4","1","","Tang, Yongxing; He, Chunlin; Imler, Gregory H.; Parrish, Damon A.; Shreeve, Jean'ne M.","Design and synthesis of N-methylene-C linked tetrazole and nitramino-1,2,4-triazole: an approach to promising energetic materials","Journal of Materials Chemistry A","2016","4","36","13923","","10.1039/C6TA05057C","","","0.71073","MoKα","","0.0334","0.0313","","","0.0859","0.0887","","","","","","1.054","","","","has coordinates","235414","2020-10-21","18:00:00",""
"7236335","3.8438","0.0008","14.463","0.003","23.861","0.005","90","","90.988","0.003","90","","1326.3","0.5","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C4 H13 N13 O7 -","- C4 H13 N13 O7 -","- C16 H52 N52 O28 -","4","1","","Tang, Yongxing; He, Chunlin; Imler, Gregory H.; Parrish, Damon A.; Shreeve, Jean'ne M.","Design and synthesis of N-methylene-C linked tetrazole and nitramino-1,2,4-triazole: an approach to promising energetic materials","Journal of Materials Chemistry A","2016","4","36","13923","","10.1039/C6TA05057C","","","0.71073","MoKα","","0.1541","0.061","","","0.1097","0.1363","","","","","","0.97","","","","has coordinates","235414","2020-10-21","18:00:00",""
"7236336","16.6803","0.0014","3.7404","0.0003","42.897","0.004","90","","90","","90","","2676.4","0.4","150","2","150","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C4 H14 N15 O4.5 -","- C4 H14 N15 O4.5 -","- C32 H112 N120 O36 -","8","2","","Tang, Yongxing; He, Chunlin; Imler, Gregory H.; Parrish, Damon A.; Shreeve, Jean'ne M.","Design and synthesis of N-methylene-C linked tetrazole and nitramino-1,2,4-triazole: an approach to promising energetic materials","Journal of Materials Chemistry A","2016","4","36","13923","","10.1039/C6TA05057C","","","1.54178","CuKα","","0.051","0.0493","","","0.1281","0.1299","","","","","","1.076","","","","has coordinates","235414","2020-10-21","18:00:00",""
"7236337","10.131","0.002","19.071","0.004","20.791","0.004","90","","90","","90","","4017","1.4","298","2","298.15","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C18 H11 Co N7 O6 -","- C18 H11 Co N7 O6 -","- C144 H88 Co8 N56 O48 -","8","1","","Han, Xiao; Chen, Wen-Miao; Han, Xiguang; Tan, Yuan-Zhi; Sun, Di","Nitrogen-rich MOF derived porous Co3O4/N‒C composites with superior performance in lithium-ion batteries","Journal of Materials Chemistry A","2016","4","34","13040","","10.1039/C6TA05096D","","","0.71","MoKα","","0.0577","0.037","","","0.0836","0.0933","","","","","","1.039","","","","has coordinates","235416","2020-10-21","18:00:00",""
"7236338","12.4957","0.001","15.3163","0.0014","24.254","0.002","90","","102.304","0.002","90","","4535.3","0.7","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H10 N O11 Zn2 -","- C22 H10 N O11 Zn2 -","- C88 H40 N4 O44 Zn8 -","4","1","","He, Hongming; Sun, Fuxing; Aguila, Briana; Perman, Jason A.; Ma, Shengqian; Zhu, Guangshan","A bifunctional metal‒organic framework featuring the combination of open metal sites and Lewis basic sites for selective gas adsorption and heterogeneous cascade catalysis","Journal of Materials Chemistry A","2016","4","39","15240","","10.1039/C6TA05098K","","","0.71073","MoKα","","0.0671","0.0474","","","0.1407","0.1489","","","","","","0.988","","","","has coordinates","235418","2020-10-21","18:00:00",""
"7236339","15.014","0.003","18.539","0.004","19.763","0.004","89.57","0.03","78.43","0.03","70.48","0.03","5069","2","173","2","173","2","","","","","","","","5","P -1","-P 1","2","ZnMOFazo","","","- C104 H88 N24 O20 Zn4 -","- C104 H80 N24 O20 Zn4 -","- C208 H160 N48 O40 Zn8 -","2","1","","Jeoung, Sungeun; Sahgong, Sun Hye; Kim, Jae Hyung; Hwang, Soo Min; Kim, Youngsik; Moon, Hoi Ri","Upcycling of nonporous coordination polymers: controllable-conversion toward porosity-tuned N-doped carbons and their electrocatalytic activity in seawater batteries","Journal of Materials Chemistry A","2016","4","35","13468","","10.1039/C6TA05102B","","","0.71073","MoKα","","0.0906","0.0499","","","0.1367","0.1693","","","","","","1.084","","","","has coordinates","235420","2020-10-21","18:00:00",""
"7236340","12.076","0.002","10.117","0.002","15.042","0.003","90","","111.41","0.03","90","","1710.9","0.7","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","ZnBDCazo","","","- C19 H13 N3 O4 Zn -","- C19 H13 N3 O4 Zn -","- C76 H52 N12 O16 Zn4 -","4","1","","Jeoung, Sungeun; Sahgong, Sun Hye; Kim, Jae Hyung; Hwang, Soo Min; Kim, Youngsik; Moon, Hoi Ri","Upcycling of nonporous coordination polymers: controllable-conversion toward porosity-tuned N-doped carbons and their electrocatalytic activity in seawater batteries","Journal of Materials Chemistry A","2016","4","35","13468","","10.1039/C6TA05102B","","","0.7","synchrotron","","0.0525","0.0429","","","0.116","0.1293","","","","","","1.144","","","","has coordinates","235420","2020-10-21","18:00:00",""
"7236341","33.712","0.007","19.058","0.004","33.611","0.007","90","","90","","90","","21595","8","293","2","293","2","","","","","","","","6","C m c m","-C 2c 2","63","","","","- C136 H180 Cu8 I4 N24 O32 -","- C88 H68 Cu8 I4 N8 O16 -","- C352 H272 Cu32 I16 N32 O64 -","4","0.25","","Yao, Shuo; Sun, Xiaodong; Liu, Bing; Krishna, Rajamani; Li, Guanghua; Huo, Qisheng; Liu, Yunling","Two heterovalent copper‒organic frameworks with multiple secondary building units: high performance for gas adsorption and separation and I2 sorption and release","Journal of Materials Chemistry A","2016","4","39","15081","","10.1039/C6TA05142A","","","0.71073","MoKα","","0.075","0.0492","","","0.1465","0.1575","","","","","","1.034","","","","has coordinates","235423","2020-10-21","18:00:00",""
"7236342","34.9115","0.0008","41.3131","0.0009","28.971","0.0006","90","","90","","90","","41784.9","1.6","296","2","296","2","","","","","","","","6","P n n m","-P 2 2n","58","","JLU-32","","- C123 H185 Cu7 I4 N25 O34 -","- C63 H45 Cu7 I4 N5 O13.75 -","- C504 H360 Cu56 I32 N40 O110 -","8","1","","Yao, Shuo; Sun, Xiaodong; Liu, Bing; Krishna, Rajamani; Li, Guanghua; Huo, Qisheng; Liu, Yunling","Two heterovalent copper‒organic frameworks with multiple secondary building units: high performance for gas adsorption and separation and I2 sorption and release","Journal of Materials Chemistry A","2016","4","39","15081","","10.1039/C6TA05142A","","","0.71073","MoKα","","0.1302","0.0499","","","0.1173","0.1332","","","","","","0.836","","","","has coordinates,has disorder","235423","2020-10-21","18:00:00",""
"7236343","11.371","0.003","16.642","0.004","19.433","0.005","89.699","0.014","85.466","0.005","78.305","0.004","3589.6","1.6","100","2","100","2","","","","","","","","7","P -1","-P 1","2","4merNH-TFSI","","","- C48 H72 F12 N4 O16 S4 Si8 -","- C48 H72 F12 N4 O16 S4 Si8 -","- C96 H144 F24 N8 O32 S8 Si16 -","2","1","","Chinnam, Parameswara Rao; Chatare, Vijay; Chereddy, Sumanth; Mantravadi, Ramya; Gau, Michael; Schwab, Joe; Wunder, Stephanie L.","Multi-ionic lithium salts increase lithium ion transference numbers in ionic liquid gel separators","Journal of Materials Chemistry A","2016","4","37","14380","","10.1039/C6TA05499D","","","0.71073","MoKα","","0.1137","0.0759","","","0.193","0.2185","","","","","","1.047","","","","has coordinates","235425","2020-10-21","18:00:00",""
"7236344","11.7616","0.0005","11.7616","0.0005","11.7616","0.0005","90","","90","","90","","1627.04","0.12","298.3","0.3","298.3","0.3","","","","","","","","5","F m -3 m","-F 4 2 3","225","","Methylammonium Thallium bismuth bromide double perovskite","","- C2 Bi Br6 N2 Tl -","- C2.0004 Bi Br6 N2.0004 Tl -","- C8.0016 Bi4 Br24 N8.0016 Tl4 -","4","0.0208333","","Deng, Zeyu; Wei, Fengxia; Sun, Shijing; Kieslich, Gregor; Cheetham, Anthony K.; Bristowe, Paul D.","Exploring the properties of lead-free hybrid double perovskites using a combined computational-experimental approach","Journal of Materials Chemistry A","2016","4","31","12025","","10.1039/C6TA05817E","","x-ray","0.71073","MoKα","","0.0546","0.0424","","","0.1059","0.1166","","","","","","1.095","","","","has coordinates,has disorder","235427","2020-10-21","18:00:00",""
"7236345","9.1422","0.0018","25.938","0.005","20.301","0.004","90","","101.89","0.03","90","","4710.7","1.7","113.15","","113.15","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C41 H42 N6 O16 Zn2 -","- C41 H40 N6 O16 Zn2 -","- C164 H160 N24 O64 Zn8 -","4","0.5","","Lv, Rui; Wang, Jingyao; Zhang, Yanping; Li, Hui; Yang, Linyan; Liao, Shengyun; Gu, Wen; Liu, Xin","An amino-decorated dual-functional metal‒organic framework for highly selective sensing of Cr(iii) and Cr(vi) ions and detection of nitroaromatic explosives","Journal of Materials Chemistry A","2016","4","40","15494","","10.1039/C6TA05965A","","","0.71073","MoKα","","0.0625","0.0543","","","0.1443","0.1506","","","","","","1.077","","","","has coordinates","235429","2020-10-21","18:00:00",""
"7236347","15.178","0.0005","15.178","0.0005","12.0813","0.0005","90","","90","","90","","2783.19","0.17","129.6","0.1","129.6","0.1","","","","","","","","4","I 41 2 2","I 4bw 2bw","98","","","","- C8 H3 Ni O6 -","- C8 H3 Ni O6 -","- C64 H24 Ni8 O48 -","8","0.5","","Zhang, Xiaoping; Chen, Wenjie; Shi, Wei; Cheng, Peng","Highly selective sorption of CO2 and N2O and strong gas-framework interactions in a nickel(ii) organic material","Journal of Materials Chemistry A","2016","4","41","16198","","10.1039/C6TA06572D","","","0.7107","MoKα","","0.0732","0.0691","","","0.1735","0.1792","","","","","","1.066","","","","has coordinates","235433","2020-10-21","18:00:00",""
"7236348","34.7078","0.0006","34.7078","0.0006","18.0586","0.0003","90","","90","","90","","21754","0.6","100","2","100","2","","","","","","","synthesis as described","6","I 41/a :2","-I 4ad","88","","","","- C80 H23 Cl Ir N O2 -","- C80 H23 Cl Ir N O2 -","- C1280 H368 Cl16 Ir16 N16 O32 -","16","1","","María Girón, Rosa; Marco-Martínez, Juan; Bellani, Sebastiano; Insuasty, Alberto; Comas Rojas, Hansel; Tullii, Gabriele; Antognazza, Maria Rosa; Filippone, Salvatore; Martín, Nazario","Synthesis of modified fullerenes for oxygen reduction reactions","Journal of Materials Chemistry A","2016","4","37","14284","","10.1039/C6TA06573B","","x-ray","1.54184","CuKα","","0.0835","0.0461","","","0.1022","0.1129","","","","","","0.918","","","","has coordinates","235434","2020-10-21","18:00:00",""
"7236349","10.04","0.006","12.65","0.008","33.76","0.02","86.692","0.01","88.631","0.008","79.903","0.009","4214","4","90","2","90","2","","","","","","","","4","P -1","-P 1","2","","","","- C114 H30 N4 Zn -","- C114 H30 N4 Zn -","- C228 H60 N8 Zn2 -","2","1","","Tamura, Yuto; Kuzuhara, Daiki; Suzuki, Mitsuharu; Hayashi, Hironobu; Aratani, Naoki; Yamada, Hiroko","Fullerene-linked tetrabenzoporphyrins for solution-processed organic photovoltaics: flexible vs. rigid linkers","Journal of Materials Chemistry A","2016","4","40","15333","","10.1039/C6TA06599F","","","0.78203","synchrotron","","0.3872","0.199","","","0.341","0.4152","","","","","","0.885","","","","has coordinates","235436","2020-10-21","18:00:00",""
"7236350","8.6354","0.0009","13.1366","0.0013","12.4095","0.0014","90","","96.847","0.006","90","","1397.7","0.3","200","2","200","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Bis(1,1-bis(2-pyridyl)ethane)copper(II)","","- C24 H24 Cu F12 N4 P2 -","- C24 H24 Cu F12 N4 P2 -","- C48 H48 Cu2 F24 N8 P4 -","2","0.5","","Cong, Jiayan; Kinschel, Dominik; Daniel, Quentin; Safdari, Majid; Gabrielsson, Erik; Chen, Hong; Svensson, Per H.; Sun, Licheng; Kloo, Lars","Bis(1,1-bis(2-pyridyl)ethane)copper(i/ii) as an efficient redox couple for liquid dye-sensitized solar cells","Journal of Materials Chemistry A","2016","4","38","14550","","10.1039/C6TA06782D","","","0.71073","MoKα","","0.069","0.0473","","","0.1349","0.1419","","","","","","1.059","","","","has coordinates","235438","2020-10-21","18:00:00",""
"7236351","8.6828","0.0007","13.1764","0.001","12.4831","0.0011","90","","95.945","0.003","90","","1420.5","0.2","295.54","","295.54","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C24 H24 Cu F12 N4 P2 -","- C24 H24 Cu F12 N4 P2 -","- C48 H48 Cu2 F24 N8 P4 -","2","0.5","","Cong, Jiayan; Kinschel, Dominik; Daniel, Quentin; Safdari, Majid; Gabrielsson, Erik; Chen, Hong; Svensson, Per H.; Sun, Licheng; Kloo, Lars","Bis(1,1-bis(2-pyridyl)ethane)copper(i/ii) as an efficient redox couple for liquid dye-sensitized solar cells","Journal of Materials Chemistry A","2016","4","38","14550","","10.1039/C6TA06782D","","","0.71073","MoKα","","0.0772","0.0574","","","0.1634","0.1954","","","","","","1.1253","","","","has coordinates","235438","2020-10-21","18:00:00",""
"7236352","9.6706","0.001","11.7551","0.0013","12.3115","0.0013","90","","99.269","0.001","90","","1381.3","0.3","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C6 H16 Eu N O12 -","- C6 H16 Eu N O12 -","- C24 H64 Eu4 N4 O48 -","4","1","","Wang, Xin; Qin, Tao; Bao, Song-Song; Zhang, Yu-Chi; Shen, Xuan; Zheng, Li-Min; Zhu, Dunru","Facile synthesis of a water stable 3D Eu-MOF showing high proton conductivity and its application as a sensitive luminescent sensor for Cu2+ ions","Journal of Materials Chemistry A","2016","4","42","16484","","10.1039/C6TA06792A","","","0.71073","MoKα","","0.0513","0.0313","","","0.0543","0.0584","","","","","","0.985","","","","has coordinates","235440","2020-10-21","18:00:00",""
"7236353","17.235","0.003","15.1338","0.0019","21.39","0.003","90","","109.327","0.002","90","","5264.8","1.4","123","2","123","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Cd-PDA","","- C52 H22 Cd2 N5 O16 -","- C52 H22 Cd2 N5 O16 -","- C208 H88 Cd8 N20 O64 -","4","1","","Wu, Pengyan; Liu, Yanhong; Li, Yang; Jiang, Min; Li, Xiu-ling; Shi, Yanhui; Wang, Jian","A cadmium(ii)-based metal‒organic framework for selective trace detection of nitroaniline isomers and photocatalytic degradation of methylene blue in neutral aqueous solution","Journal of Materials Chemistry A","2016","4","42","16349","","10.1039/C6TA06997E","","","0.71075","MoKα","","0.047","0.0388","","","0.1111","0.1141","","","","","","1.079","","","","has coordinates","235442","2020-10-21","18:00:00",""
"7236354","5.9062","0.0007","7.7504","0.0009","42.123","0.005","87","0.002","89.311","0.002","86.21","0.002","1921.3","0.4","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","N,N-bis(4-(phenyldiazenyl)phenyl)docosa-10,12-diynediamide","","- C46 H52 N6 O2 -","- C46 H52 N6 O2 -","- C92 H104 N12 O4 -","2","1","","Han, Ggoch Ddeul; Park, Sarah S.; Liu, Yun; Zhitomirsky, David; Cho, Eugene; Dincă, Mircea; Grossman, Jeffrey C.","Photon energy storage materials with high energy densities based on diacetylene‒azobenzene derivatives","Journal of Materials Chemistry A","2016","4","41","16157","","10.1039/C6TA07086H","","","0.71073","MoKα","","0.103","0.0738","","","0.1927","0.2094","","","","","","1.044","","","","has coordinates","235444","2020-10-21","18:00:00",""
"7236368","25.164","0.007","25.164","0.007","28.417","0.01","90","","90","","120","","15584","8","293","2","293","2","","","","","","","","6","P 6/m c c","-P 6 2c","192","","","","- C28 H33 In N3 O10.5 S -","- C20 H10 In O8 S -","- C240 H120 In12 O96 S12 -","12","0.5","","Han, Yun-Hu; Ye, Yingxiang; Tian, Chongbin; Zhang, Zhangjing; Du, Shao-Wu; Xiang, Shengchang","High proton conductivity in an unprecedented anionic metalloring organic framework (MROF) containing novel metalloring clusters with the largest diameter","Journal of Materials Chemistry A","2016","4","48","18742","","10.1039/C6TA07939C","","","0.71073","MoKα","","0.0795","0.0632","","","0.1863","0.1998","","","","","","1.015","","","","has coordinates","235452","2020-10-21","18:00:00",""
"7236369","14.3822","0.0016","9.5669","0.0011","11.2707","0.0013","90","","90","","90","","1550.8","0.3","150","2","150","2","","","","","","","","4","P n a 21","P 2c -2n","33","JZ 7-1","","","- C7 H8 N12 O8 -","- C7 H8 N12 O8 -","- C28 H32 N48 O32 -","4","1","","Zhang, Jiaheng; Dharavath, Srinivas; Mitchell, Lauren A.; Parrish, Damon A.; Shreeve, Jean'ne M.","Bridged bisnitramide-substituted furazan-based energetic materials","Journal of Materials Chemistry A","2016","4","43","16961","","10.1039/C6TA08055C","","","0.71073","MoKα","","0.0229","0.022","","","0.0566","0.0573","","","","","","1.018","","","","has coordinates","235454","2020-10-21","18:00:00",""
"7236370","9.2994","0.0008","8.8927","0.0008","9.8472","0.0009","90","","100.317","0.003","90","","801.17","0.12","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C10 H6 N12 O8 -","- C10 H6 N12 O8 -","- C20 H12 N24 O16 -","2","0.5","","Zhang, Jiaheng; Dharavath, Srinivas; Mitchell, Lauren A.; Parrish, Damon A.; Shreeve, Jean'ne M.","Bridged bisnitramide-substituted furazan-based energetic materials","Journal of Materials Chemistry A","2016","4","43","16961","","10.1039/C6TA08055C","","","0.71073","MoKα","","0.0682","0.0391","","","0.1183","0.1521","","","","","","1.025","","","","has coordinates,has disorder","235454","2020-10-21","18:00:00",""
"7236380","10.125","0.002","8.345","0.0017","10.583","0.002","90","","106.1","0.03","90","","859.1","0.3","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C6 H8 N4 O6 -","- C6 H8 N4 O6 -","- C24 H32 N16 O24 -","4","1","","Xu, Yuangang; Shen, Cheng; Lin, Qiuhan; Wang, Pengcheng; Jiang, Chao; Lu, Ming","1-Nitro-2-trinitromethyl substituted imidazoles: a new family of high performance energetic materials","Journal of Materials Chemistry A","2016","4","45","17791","","10.1039/C6TA08831G","","","0.71073","MoKα","","0.0708","0.0492","","","0.1269","0.1433","","","","","","1","","","","has coordinates","235464","2020-10-21","18:00:00",""
"7236381","20.437","0.004","6.241","0.0012","20.588","0.004","90","","113.82","0.03","90","","2402.3","1","298","2","298","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C6 H6 N6 O10 -","- C6 H6 N6 O10 -","- C48 H48 N48 O80 -","8","2","","Xu, Yuangang; Shen, Cheng; Lin, Qiuhan; Wang, Pengcheng; Jiang, Chao; Lu, Ming","1-Nitro-2-trinitromethyl substituted imidazoles: a new family of high performance energetic materials","Journal of Materials Chemistry A","2016","4","45","17791","","10.1039/C6TA08831G","","","0.71073","MoKα","","0.181","0.0785","","","0.1403","0.1715","","","","","","1","","","","has coordinates","235464","2020-10-21","18:00:00",""
"7236382","8.415","0.0017","10.916","0.002","12.774","0.003","72.3","0.03","83.98","0.03","83.6","0.03","1107.8","0.4","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C5 H6 N6 O8 -","- C5 H6 N6 O8 -","- C20 H24 N24 O32 -","4","2","","Xu, Yuangang; Shen, Cheng; Lin, Qiuhan; Wang, Pengcheng; Jiang, Chao; Lu, Ming","1-Nitro-2-trinitromethyl substituted imidazoles: a new family of high performance energetic materials","Journal of Materials Chemistry A","2016","4","45","17791","","10.1039/C6TA08831G","","","0.71073","MoKα","","0.1339","0.0667","","","0.152","0.181","","","","","","1.004","","","","has coordinates","235464","2020-10-21","18:00:00",""
"7236383","8.699","0.0017","8.789","0.0018","10.723","0.002","86.59","0.03","89.54","0.03","72.16","0.03","779","0.3","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C8 H8 N6 O12 -","- C8 H8 N6 O12 -","- C16 H16 N12 O24 -","2","1","","Xu, Yuangang; Shen, Cheng; Lin, Qiuhan; Wang, Pengcheng; Jiang, Chao; Lu, Ming","1-Nitro-2-trinitromethyl substituted imidazoles: a new family of high performance energetic materials","Journal of Materials Chemistry A","2016","4","45","17791","","10.1039/C6TA08831G","","","0.71073","MoKα","","0.1022","0.0635","","","0.1597","0.1889","","","","","","1.003","","","","has coordinates","235464","2020-10-21","18:00:00",""
"7236384","10.821","0.002","8.82","0.0018","11.286","0.002","90","","93.44","0.03","90","","1075.2","0.4","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C5 H6 N6 O8 -","- C5 H6 N6 O8 -","- C20 H24 N24 O32 -","4","2","","Xu, Yuangang; Shen, Cheng; Lin, Qiuhan; Wang, Pengcheng; Jiang, Chao; Lu, Ming","1-Nitro-2-trinitromethyl substituted imidazoles: a new family of high performance energetic materials","Journal of Materials Chemistry A","2016","4","45","17791","","10.1039/C6TA08831G","","","0.71073","MoKα","","0.1087","0.0525","","","0.0828","0.0981","","","","","","1.001","","","","has coordinates","235464","2020-10-21","18:00:00",""
"7236385","21.39","0.004","12.501","0.003","9.957","0.002","90","","95.08","0.03","90","","2652","1","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C8 H10 N6 O8 -","- C8 H10 N6 O8 -","- C64 H80 N48 O64 -","8","1","","Xu, Yuangang; Shen, Cheng; Lin, Qiuhan; Wang, Pengcheng; Jiang, Chao; Lu, Ming","1-Nitro-2-trinitromethyl substituted imidazoles: a new family of high performance energetic materials","Journal of Materials Chemistry A","2016","4","45","17791","","10.1039/C6TA08831G","","","0.71073","MoKα","","0.0921","0.0556","","","0.1492","0.1711","","","","","","1.018","","","","has coordinates","235464","2020-10-21","18:00:00",""
"7236386","11.267","0.002","10.248","0.002","11.444","0.002","90","","91.41","0.03","90","","1321","0.4","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C8 H10 N6 O8 -","- C8 H10 N6 O8 -","- C32 H40 N24 O32 -","4","1","","Xu, Yuangang; Shen, Cheng; Lin, Qiuhan; Wang, Pengcheng; Jiang, Chao; Lu, Ming","1-Nitro-2-trinitromethyl substituted imidazoles: a new family of high performance energetic materials","Journal of Materials Chemistry A","2016","4","45","17791","","10.1039/C6TA08831G","","","0.71073","MoKα","","0.1462","0.0692","","","0.1322","0.1569","","","","","","1.002","","","","has coordinates","235464","2020-10-21","18:00:00",""
"7236387","11.531","0.002","7.53","0.0015","17.166","0.003","90","","98.46","0.03","90","","1474.3","0.5","293","2","293","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C4 H6 N4 O6 -","- C4 H6 N4 O6 -","- C32 H48 N32 O48 -","8","2","","Xu, Yuangang; Shen, Cheng; Lin, Qiuhan; Wang, Pengcheng; Jiang, Chao; Lu, Ming","1-Nitro-2-trinitromethyl substituted imidazoles: a new family of high performance energetic materials","Journal of Materials Chemistry A","2016","4","45","17791","","10.1039/C6TA08831G","","","0.71073","MoKα","","0.0758","0.057","","","0.1528","0.1644","","","","","","1.041","","","","has coordinates","235464","2020-10-21","18:00:00",""
"7236388","25.4756","0.0019","16.5543","0.0011","19.534","0.0013","90","","107.428","0.008","90","","7859.9","1","293","2","293","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C90 H72 N4 O9 S2 -","- C92.796 H73.204 N5 O10 S2 -","- C371.184 H292.816 N20 O40 S8 -","4","1","","Rakstys, Kasparas; Paek, Sanghyun; Sohail, Muhammad; Gao, Peng; Cho, Kyung Taek; Gratia, Paul; Lee, Yonghui; Dahmen, Klaus H.; Nazeeruddin, Mohammad Khaja","A highly hindered bithiophene-functionalized dispiro-oxepine derivative as an efficient hole transporting material for perovskite solar cells","Journal of Materials Chemistry A","2016","4","47","18259","","10.1039/C6TA09028A","","","1.54178","CuKα","","0.143","0.0891","","","0.2314","0.2758","","","","","","1.024","","","","has coordinates,has disorder","235466","2020-10-21","18:00:00",""
"7236420","53.673","0.005","6.5539","0.0006","14.3225","0.0014","90","","103.843","0.001","90","","4891.9","0.8","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C33 H24 N2 O -","- C33 H24 N2 O -","- C264 H192 N16 O8 -","8","1","","Ge, Xinping; Gan, Xiaoping; Yao, Shun; Wang, Kang; Zhu, Weiju; Yu, Jianhua; Wu, Jieying; Tian, Yupeng; Zhou, Hongping","Rationally designed two-photon absorption compounds based on benzoxazole derivatives: structure‒property relationships and bio-imaging applications","Journal of Materials Chemistry B","2016","4","16","2785","","10.1039/C6TB00201C","","","0.71073","MoKα","","0.077","0.0436","","","0.1183","0.1484","","","","","","1.043","","","","has coordinates","235495","2020-10-21","18:00:00",""
"7236421","7.589","0.002","9.368","0.003","28.167","0.008","90","","90","","90","","2002.5","1","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C25 H24 N2 O -","- C25 H24 N2 O -","- C100 H96 N8 O4 -","4","1","","Ge, Xinping; Gan, Xiaoping; Yao, Shun; Wang, Kang; Zhu, Weiju; Yu, Jianhua; Wu, Jieying; Tian, Yupeng; Zhou, Hongping","Rationally designed two-photon absorption compounds based on benzoxazole derivatives: structure‒property relationships and bio-imaging applications","Journal of Materials Chemistry B","2016","4","16","2785","","10.1039/C6TB00201C","","","0.71073","MoKα","","0.1291","0.0829","","","0.2126","0.2426","","","","","","1.048","","","","has coordinates","235495","2020-10-21","18:00:00",""
"7236422","5.0966","0.0011","12.219","0.003","20.093","0.004","96.803","0.003","96.243","0.003","97.956","0.003","1220.5","0.5","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C30 H29 N O5 -","- C30 H29 N O5 -","- C60 H58 N2 O10 -","2","1","","Ge, Xinping; Gan, Xiaoping; Yao, Shun; Wang, Kang; Zhu, Weiju; Yu, Jianhua; Wu, Jieying; Tian, Yupeng; Zhou, Hongping","Rationally designed two-photon absorption compounds based on benzoxazole derivatives: structure‒property relationships and bio-imaging applications","Journal of Materials Chemistry B","2016","4","16","2785","","10.1039/C6TB00201C","","","0.71073","MoKα","","0.1781","0.0838","","","0.2072","0.263","","","","","","1.199","","","","has coordinates,has disorder","235495","2020-10-21","18:00:00",""
"7236423","22.153","0.003","9.6897","0.0014","17.251","0.003","90","","95.937","0.002","90","","3683.2","1","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C24 H16.5 N1.5 O -","- C24 H16.5 N1.5 O -","- C192 H132 N12 O8 -","8","1","","Ge, Xinping; Gan, Xiaoping; Yao, Shun; Wang, Kang; Zhu, Weiju; Yu, Jianhua; Wu, Jieying; Tian, Yupeng; Zhou, Hongping","Rationally designed two-photon absorption compounds based on benzoxazole derivatives: structure‒property relationships and bio-imaging applications","Journal of Materials Chemistry B","2016","4","16","2785","","10.1039/C6TB00201C","","","0.71073","MoKα","","0.0571","0.0454","","","0.133","0.1446","","","","","","1.031","","","","has coordinates","235495","2020-10-21","18:00:00",""
"7236424","12.507","0.005","16.431","0.005","13.315","0.005","90","0.005","108.61","0.005","90","0.005","2593.2","1.6","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C31 H29 N5 O S -","- C31 H29 N5 O S -","- C124 H116 N20 O4 S4 -","4","1","","Wang, Hui; Tian, Xiaohe; Guan, Lijuan; Zhang, Qiong; Zhang, Shengyi; Zhou, Hongping; Wu, Jieying; Tian, Yupeng","Targeting mitochondrial DNA with a two-photon active Ru(ii) phenanthroline derivative","Journal of Materials Chemistry B","2016","4","17","2895","","10.1039/C6TB00433D","","","0.71069","MoKα","","0.0761","0.0525","","","0.1447","0.1684","","","","","","0.965","","","","has coordinates","235497","2020-10-21","18:00:00",""
"7236425","12.5395","0.0012","24.454","0.002","25.013","0.002","90","","93.069","0.002","90","","7659","1.1","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","POM-pyrene 1","","- C74 H108 N4 O19 V6 -","- C74 H108 N4 O19 V6 -","- C296 H432 N16 O76 V24 -","4","0.5","","Ju, Wen; Song, Xiuling; Yan, Gang; Xu, Kun; Wang, Juan; Yin, Dehui; Li, Li; Qu, Xiaofeng; Li, Yangguang; Li, Juan","Layer-by-layer assembly of polyoxometalate‒pyrene-decorated fluorescent microspheres for the suspension immunoassay of Listeria monocytogenes","Journal of Materials Chemistry B","2016","4","24","4287","","10.1039/C6TB00986G","","","0.71073","MoKα","","0.1293","0.0682","","","0.1654","0.2023","","","","","","1.001","","","","has coordinates,has disorder","235499","2020-10-21","18:00:00",""
"7236426","8.7921","0.0009","19.2348","0.0019","20.091","0.002","90","","98.119","0.002","90","","3363.6","0.6","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C38 H33 Cl2 N5 O -","- C38 H33 Cl2 N5 O -","- C152 H132 Cl8 N20 O4 -","4","1","","Wang, Xiaohang; Guo, Zhiqian; Zhu, Shiqin; Liu, Yajing; Shi, Ping; Tian, He; Zhu, Wei-Hong","Rational design of novel near-infrared fluorescent DCM derivatives and their application in bioimaging","Journal of Materials Chemistry B","2016","4","27","4683","","10.1039/C6TB01096B","","","0.71073","MoKα","","0.1532","0.0663","","","0.1648","0.2018","","","","","","1.011","","","","has coordinates,has disorder","235501","2020-10-21","18:00:00",""
"7236427","8.8941","0.0017","10.241","0.002","15.811","0.003","79.53","0.002","86.87","0.002","70.65","0.002","1336.1","0.4","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C34 H25 N5 O -","- C34 H25 N5 O -","- C68 H50 N10 O2 -","2","1","","Wang, Hui; Tian, Xiaohe; Du, Wei; Zhang, Qiong; Guan, Lijuan; Wang, Aidong; Zhang, Yujin; Wang, Chuankui; Zhou, Hongping; Wu, Jieying; Tian, Yupeng","A two-photon fluorescent RNA probe screened from a series of oxime-functionalized 2,2′:6′,2′′-terpyridine ZnX2(X = Cl, Br, I) complexes","Journal of Materials Chemistry B","2016","4","28","4818","","10.1039/C6TB01202G","","","0.71073","MoKα","","0.1197","0.0789","","","0.2216","0.2498","","","","","","1.093","","","","has coordinates","235503","2020-10-21","18:00:00",""
"7236428","11.057","0.005","14.625","0.005","21.079","0.005","90","0.005","91.805","0.005","90","0.005","3407","2","298","2","298","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C35 H27 Br2 Cl2 N5 O Zn -","- C35 H27 Br2 Cl2 N5 O Zn -","- C140 H108 Br8 Cl8 N20 O4 Zn4 -","4","1","","Wang, Hui; Tian, Xiaohe; Du, Wei; Zhang, Qiong; Guan, Lijuan; Wang, Aidong; Zhang, Yujin; Wang, Chuankui; Zhou, Hongping; Wu, Jieying; Tian, Yupeng","A two-photon fluorescent RNA probe screened from a series of oxime-functionalized 2,2′:6′,2′′-terpyridine ZnX2(X = Cl, Br, I) complexes","Journal of Materials Chemistry B","2016","4","28","4818","","10.1039/C6TB01202G","","","0.71069","MoKα","","0.0936","0.0705","","","0.2269","0.2453","","","","","","1.09","","","","has coordinates,has disorder","235503","2020-10-21","18:00:00",""
"7236429","11.124","0.005","14.265","0.005","20.97","0.005","90","0.005","92.901","0.005","90","0.005","3323","2","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C36 H25 Cl2 N6 O Zn -","- C36 H28 Cl2 N6 O Zn -","- C144 H112 Cl8 N24 O4 Zn4 -","4","1","","Wang, Hui; Tian, Xiaohe; Du, Wei; Zhang, Qiong; Guan, Lijuan; Wang, Aidong; Zhang, Yujin; Wang, Chuankui; Zhou, Hongping; Wu, Jieying; Tian, Yupeng","A two-photon fluorescent RNA probe screened from a series of oxime-functionalized 2,2′:6′,2′′-terpyridine ZnX2(X = Cl, Br, I) complexes","Journal of Materials Chemistry B","2016","4","28","4818","","10.1039/C6TB01202G","","","0.71069","MoKα","","0.078","0.0491","","","0.1409","0.1632","","","","","","0.984","","","","has coordinates","235503","2020-10-21","18:00:00",""
"7236430","11.166","0.004","14.692","0.005","21.336","0.008","90","","91.616","0.005","90","","3499","2","296","2","296","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C138 H96 Cl4 I8 N22 O4 Zn4 -","- C138.064 H96 Cl4 I8 N22.16 O4 Zn4 -","- C138.064 H96 Cl4 I8 N22.16 O4 Zn4 -","1","0.25","","Wang, Hui; Tian, Xiaohe; Du, Wei; Zhang, Qiong; Guan, Lijuan; Wang, Aidong; Zhang, Yujin; Wang, Chuankui; Zhou, Hongping; Wu, Jieying; Tian, Yupeng","A two-photon fluorescent RNA probe screened from a series of oxime-functionalized 2,2′:6′,2′′-terpyridine ZnX2(X = Cl, Br, I) complexes","Journal of Materials Chemistry B","2016","4","28","4818","","10.1039/C6TB01202G","","","0.71073","MoKα","","0.1968","0.0962","","","0.2745","0.3171","","","","","","1","","","","has coordinates,has disorder","235503","2020-10-21","18:00:00",""
"7236431","11.759","0.005","12.636","0.005","13.141","0.005","100.106","0.005","103.238","0.005","114.716","0.005","1643.4","1.1","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C36 H27 Br2 N5 O Zn -","- C36 H27 Br2 N5 O Zn -","- C72 H54 Br4 N10 O2 Zn2 -","2","1","","Wang, Hui; Tian, Xiaohe; Du, Wei; Zhang, Qiong; Guan, Lijuan; Wang, Aidong; Zhang, Yujin; Wang, Chuankui; Zhou, Hongping; Wu, Jieying; Tian, Yupeng","A two-photon fluorescent RNA probe screened from a series of oxime-functionalized 2,2′:6′,2′′-terpyridine ZnX2(X = Cl, Br, I) complexes","Journal of Materials Chemistry B","2016","4","28","4818","","10.1039/C6TB01202G","","","0.71069","MoKα","","0.0879","0.049","","","0.1348","0.1609","","","","","","0.963","","","","has coordinates","235503","2020-10-21","18:00:00",""
"7236432","14.796","0.005","14.776","0.005","16.532","0.005","90","0.005","114.555","0.005","90","0.005","3287.5","1.9","298","2","298","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C36 H27 Cl2 N5 O Zn -","- C36 H30 Cl2 N4 O2 Zn -","- C144 H120 Cl8 N16 O8 Zn4 -","4","1","","Wang, Hui; Tian, Xiaohe; Du, Wei; Zhang, Qiong; Guan, Lijuan; Wang, Aidong; Zhang, Yujin; Wang, Chuankui; Zhou, Hongping; Wu, Jieying; Tian, Yupeng","A two-photon fluorescent RNA probe screened from a series of oxime-functionalized 2,2′:6′,2′′-terpyridine ZnX2(X = Cl, Br, I) complexes","Journal of Materials Chemistry B","2016","4","28","4818","","10.1039/C6TB01202G","","","0.71069","MoKα","","0.0729","0.0642","","","0.2056","0.2179","","","","","","1.011","","","","has coordinates","235503","2020-10-21","18:00:00",""
"7236433","10.82","0.006","11.364","0.007","12.581","0.007","90.262","0.007","91.648","0.007","112.836","0.007","1424.9","1.4","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C27 H33 F6 N2 O4 P -","- C27 H33 F6 N2 O4 P -","- C54 H66 F12 N4 O8 P2 -","2","1","","Zhao, Meng; Zhu, Yingzhong; Su, Jian; Geng, Qian; Tian, Xiaohe; Zhang, Jun; Zhou, Hongping; Zhang, Shengyi; Wu, Jieying; Tian, Yupeng","A water-soluble two-photon fluorescence chemosensor for ratiometric imaging of mitochondrial viscosity in living cells","Journal of Materials Chemistry B","2016","4","35","5907","","10.1039/C6TB01240J","","","0.71073","MoKα","","0.1751","0.0829","","","0.2277","0.2624","","","","","","1.105","","","","has coordinates,has disorder","235505","2020-10-21","18:00:00",""
"7236434","9.8545","0.0004","10.7534","0.0005","17.1587","0.0008","88.737","0.004","75.181","0.004","63.066","0.005","1557.83","0.15","173","0.3","173","0.3","","","","","","","","4","P -1","-P 1","2","","","","- C40 H33 N O3 -","- C40 H33 N O3 -","- C80 H66 N2 O6 -","2","1","","Lou, Xiaoding; Zhang, Mengshi; Zhao, Zujin; Min, Xuehong; Hakeem, Abdul; Huang, Fujian; Gao, Pengcheng; Xia, Fan; Tang, Ben Zhong","A photostable AIE fluorogen for lysosome-targetable imaging of living cells","Journal of Materials Chemistry B","2016","4","32","5412","","10.1039/C6TB01293K","","x-ray","1.5418","CuKα","","0.0402","0.0372","","","0.1016","0.1046","","","","","","1.002","","","","has coordinates","235507","2020-10-21","18:00:00",""
"7236435","10.2888","0.0005","16.2882","0.001","13.248","0.0006","90","","91.491","0.005","90","","2219.4","0.2","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C27 H24 N2 O3 -","- C27 H24 N2 O3 -","- C108 H96 N8 O12 -","4","1","","Meher, Niranjan; Chowdhury, Sayan Roy; Iyer, Parameswar Krishnan","Aggregation induced emission enhancement and growth of naphthalimide nanoribbons via J-aggregation: insight into disaggregation induced unfolding and detection of ferritin at the nanomolar level","Journal of Materials Chemistry B","2016","4","36","6023","","10.1039/C6TB01746K","","","0.71073","MoKα","","0.1447","0.0799","","","0.2671","0.3323","","","","","","1.062","","","","has coordinates","235509","2020-10-21","18:00:00",""
"7236436","8.2646","0.0005","14.0049","0.0009","19.183","0.0012","90","","98.03","0.006","90","","2198.6","0.2","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","1","","- C28 H25 N O3 -","- C28 H25 N O3 -","- C112 H100 N4 O12 -","4","1","","Meher, Niranjan; Chowdhury, Sayan Roy; Iyer, Parameswar Krishnan","Aggregation induced emission enhancement and growth of naphthalimide nanoribbons via J-aggregation: insight into disaggregation induced unfolding and detection of ferritin at the nanomolar level","Journal of Materials Chemistry B","2016","4","36","6023","","10.1039/C6TB01746K","","","0.71073","MoKα","","0.0999","0.0635","","","0.2338","0.2911","","","","","","0.962","","","","has coordinates","235509","2020-10-21","18:00:00",""
"7236443","18.1453","0.0019","11.7409","0.0012","18.0797","0.0019","90","","106.363","0.002","90","","3695.7","0.7","273","2","273","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C53 H35 N3 -","- C53 H35 N3 -","- C212 H140 N12 -","4","1","","Li, Chenglong; Wei, Jinbei; Song, Xiaoxian; Ye, Kaiqi; Zhang, Hongyu; Zhang, Jingying; Wang, Yue","Non-doped luminescent material based organic light-emitting devices displaying high brightness under very low driving voltage","Journal of Materials Chemistry C","2016","4","29","7013","","10.1039/C6TC01975G","","","0.71073","MoKα","","0.0699","0.0456","","","0.0961","0.1081","","","","","","1.035","","","","has coordinates","235517","2020-10-21","18:00:00",""
"7236444","18.418","0.002","13.6974","0.0015","17.2557","0.0019","90","","106.726","0.002","90","","4169.1","0.8","273","2","273","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C57 H43 N3 -","- C57 H43 N3 -","- C228 H172 N12 -","4","1","","Li, Chenglong; Wei, Jinbei; Song, Xiaoxian; Ye, Kaiqi; Zhang, Hongyu; Zhang, Jingying; Wang, Yue","Non-doped luminescent material based organic light-emitting devices displaying high brightness under very low driving voltage","Journal of Materials Chemistry C","2016","4","29","7013","","10.1039/C6TC01975G","","","0.71073","MoKα","","0.0896","0.0558","","","0.1109","0.1255","","","","","","1.046","","","","has coordinates","235517","2020-10-21","18:00:00",""
"7238068","11.2652","0.0015","12.2246","0.0015","12.2787","0.0018","94.758","0.011","115.462","0.014","111.252","0.012","1364.4","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H24 N12 O4 Zn -","- C26 H24 N12 O4 Zn -","- C52 H48 N24 O8 Zn2 -","2","1","","Yang, Wei; Liu, Chenxi; Ma, Qi; Wang, Chiming; Wang, Hailong; Jiang, Jianzhuang","Metallomacrocycle-supported interpenetration networks assembled from binary N-containing ligands","CrystEngComm","2016","18","19","3506","","10.1039/C6CE00057F","","","0.71073","MoKα","","0.0839","0.0575","","","0.1467","0.1616","","","","","","1.031","","","","has coordinates","288505","2023-12-22","15:12:04",""
"7238069","8.2082","0.0006","10.6317","0.0008","12.4526","0.001","79.48","0.007","74.303","0.007","69.897","0.007","977.6","0.14","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H13 Cd N10 O -","- C20 H13 Cd N10 O -","- C40 H26 Cd2 N20 O2 -","2","1","","Yang, Wei; Liu, Chenxi; Ma, Qi; Wang, Chiming; Wang, Hailong; Jiang, Jianzhuang","Metallomacrocycle-supported interpenetration networks assembled from binary N-containing ligands","CrystEngComm","2016","18","19","3506","","10.1039/C6CE00057F","","","0.71073","MoKα","","0.0299","0.0256","","","0.0534","0.055","","","","","","1.053","","","","has coordinates","288505","2023-12-22","15:12:04",""
"7238070","28.6376","0.0015","10.5812","0.0004","22.7685","0.001","90","","90","","90","","6899.3","0.5","293","2","293","2","","","","","","","","5","P c c a","-P 2a 2ac","54","","","","- C30 H29 Cd N13 O3 -","- C30 H29 Cd N13 O3 -","- C240 H232 Cd8 N104 O24 -","8","1","","Yang, Wei; Liu, Chenxi; Ma, Qi; Wang, Chiming; Wang, Hailong; Jiang, Jianzhuang","Metallomacrocycle-supported interpenetration networks assembled from binary N-containing ligands","CrystEngComm","2016","18","19","3506","","10.1039/C6CE00057F","","","0.71073","MoKα","","0.0793","0.0517","","","0.1339","0.1458","","","","","","1.047","","","","has coordinates,has disorder","288505","2023-12-22","15:12:04",""
"7238071","5.9576","0.0007","16.05","0.0018","16.1222","0.0018","90","","100.028","0.002","90","","1518","0.3","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H12 N8 O2 -","- C14 H12 N8 O2 -","- C56 H48 N32 O8 -","4","1","","Yang, Wei; Liu, Chenxi; Ma, Qi; Wang, Chiming; Wang, Hailong; Jiang, Jianzhuang","Metallomacrocycle-supported interpenetration networks assembled from binary N-containing ligands","CrystEngComm","2016","18","19","3506","","10.1039/C6CE00057F","","","0.71073","MoKα","","0.0399","0.0332","","","0.0855","0.0886","","","","","","1.078","","","","has coordinates","288505","2023-12-22","15:12:04",""
"7702041","28.105","0.003","12.885","0.0015","17.816","0.002","90","","108.596","0.002","90","","6114.9","1.2","140","2","140","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C36 H36 Al N2 O2 -","- C36 H36 Al N2 O2 -","- C288 H288 Al8 N16 O16 -","8","1","","Kan, Chao; Ge, Jilei; Ma, Haiyan","Aluminum methyl, alkoxide and α-alkoxy ester complexes supported by 6,6'-dimethylbiphenyl-bridged salen ligands: synthesis, characterization and catalysis for rac-lactide polymerization.","Dalton transactions (Cambridge, England : 2003)","2016","45","15","6682","6695","10.1039/c5dt04633e","","","0.71073","MoKα","","0.0911","0.0515","","","0.1324","0.1561","","","","","","1.015","","","","has coordinates","233448","2020-10-21","18:00:00",""
"7702042","29.421","0.005","11.873","0.002","20.751","0.004","90","","109.235","0.003","90","","6844","2","140","2","140","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C39 H45 Al N2 O2 -","- C39 H45 Al N2 O2 -","- C312 H360 Al8 N16 O16 -","8","1","","Kan, Chao; Ge, Jilei; Ma, Haiyan","Aluminum methyl, alkoxide and α-alkoxy ester complexes supported by 6,6'-dimethylbiphenyl-bridged salen ligands: synthesis, characterization and catalysis for rac-lactide polymerization.","Dalton transactions (Cambridge, England : 2003)","2016","45","15","6682","6695","10.1039/c5dt04633e","","","0.71073","MoKα","","0.1712","0.0717","","","0.1589","0.2116","","","","","","0.965","","","","has coordinates","233448","2020-10-21","18:00:00",""
"7702043","15.337","0.003","18.328","0.003","22.205","0.004","112.83","0.003","90.449","0.003","110.283","0.003","5322.4","1.7","140","2","140","2","","","","","","","","5","P -1","-P 1","2","","","","- C65 H65 Al N2 O2 -","- C65 H65 Al N2 O2 -","- C260 H260 Al4 N8 O8 -","4","2","","Kan, Chao; Ge, Jilei; Ma, Haiyan","Aluminum methyl, alkoxide and α-alkoxy ester complexes supported by 6,6'-dimethylbiphenyl-bridged salen ligands: synthesis, characterization and catalysis for rac-lactide polymerization.","Dalton transactions (Cambridge, England : 2003)","2016","45","15","6682","6695","10.1039/c5dt04633e","","","0.71073","MoKα","","0.166","0.071","","","0.176","0.2407","","","","","","0.947","","","","has coordinates","233448","2020-10-21","18:00:00",""
"7702044","11.4917","0.0018","17.564","0.003","18.529","0.003","106.22","0.003","107.539","0.003","102.51","0.003","3234","0.9","140","2","140","2","","","","","","","","5","P -1","-P 1","2","","","","- C77 H83 Al2 N2 O2 -","- C77 H83 Al2 N2 O2 -","- C154 H166 Al4 N4 O4 -","2","1","","Kan, Chao; Ge, Jilei; Ma, Haiyan","Aluminum methyl, alkoxide and α-alkoxy ester complexes supported by 6,6'-dimethylbiphenyl-bridged salen ligands: synthesis, characterization and catalysis for rac-lactide polymerization.","Dalton transactions (Cambridge, England : 2003)","2016","45","15","6682","6695","10.1039/c5dt04633e","","","0.71073","MoKα","","0.1331","0.0781","","","0.2039","0.2653","","","","","","1.026","","","","has coordinates","233448","2020-10-21","18:00:00",""
"7702045","29.753","0.003","12.0799","0.001","21.3364","0.0019","90","","104.425","0.002","90","","7426.8","1.2","140","2","140","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C41 H49 Al N2 O3 -","- C41 H49 Al N2 O3 -","- C328 H392 Al8 N16 O24 -","8","1","","Kan, Chao; Ge, Jilei; Ma, Haiyan","Aluminum methyl, alkoxide and α-alkoxy ester complexes supported by 6,6'-dimethylbiphenyl-bridged salen ligands: synthesis, characterization and catalysis for rac-lactide polymerization.","Dalton transactions (Cambridge, England : 2003)","2016","45","15","6682","6695","10.1039/c5dt04633e","","","0.71073","MoKα","","0.1505","0.0572","","","0.1106","0.1437","","","","","","0.955","","","","has coordinates","233448","2020-10-21","18:00:00",""
"7702046","14.049","0.0014","16.357","0.0017","21.74","0.002","91.197","0.002","94.859","0.002","113.992","0.002","4539.4","0.8","143","2","143","2","","","","","","","","5","P -1","-P 1","2","","","","- C43 H51 Al N2 O5 -","- C43 H51 Al N2 O5 -","- C172 H204 Al4 N8 O20 -","4","2","","Kan, Chao; Ge, Jilei; Ma, Haiyan","Aluminum methyl, alkoxide and α-alkoxy ester complexes supported by 6,6'-dimethylbiphenyl-bridged salen ligands: synthesis, characterization and catalysis for rac-lactide polymerization.","Dalton transactions (Cambridge, England : 2003)","2016","45","15","6682","6695","10.1039/c5dt04633e","","","0.71073","MoKα","","0.1835","0.071","","","0.1533","0.1793","","","","","","0.861","","","","has coordinates","233448","2020-10-21","18:00:00",""
"7702047","12.2232","0.0013","15.5668","0.0016","20.211","0.002","90","","90","","90","","3845.7","0.7","140","2","140","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C45 H49 Al N2 O3 -","- C45 H49 Al N2 O3 -","- C180 H196 Al4 N8 O12 -","4","1","","Kan, Chao; Ge, Jilei; Ma, Haiyan","Aluminum methyl, alkoxide and α-alkoxy ester complexes supported by 6,6'-dimethylbiphenyl-bridged salen ligands: synthesis, characterization and catalysis for rac-lactide polymerization.","Dalton transactions (Cambridge, England : 2003)","2016","45","15","6682","6695","10.1039/c5dt04633e","","","0.71073","MoKα","","0.1248","0.0614","","","0.1092","0.1319","","","","","","0.993","","","","has coordinates","233448","2020-10-21","18:00:00",""
"7702048","9.975","0.0019","30.06","0.007","10.719","0.002","90","","90","","90","","3214.1","1.1","130","","130","","","","","","","","","4","A e a 2","A 2 -2ab","41","","","","- C38 H44 N2 O2 -","- C38 H44 N2 O2 -","- C152 H176 N8 O8 -","4","0.5","","Kan, Chao; Ge, Jilei; Ma, Haiyan","Aluminum methyl, alkoxide and α-alkoxy ester complexes supported by 6,6'-dimethylbiphenyl-bridged salen ligands: synthesis, characterization and catalysis for rac-lactide polymerization.","Dalton transactions (Cambridge, England : 2003)","2016","45","15","6682","6695","10.1039/c5dt04633e","","","0.71073","MoKα","","0.0706","0.0521","","","0.1235","0.135","","","","","","1.02","","","","has coordinates","233448","2020-10-21","18:00:00",""
"7702049","13.95","0.003","16.296","0.003","21.63","0.004","91.07","0.003","95.849","0.003","114.041","0.003","4457.4","1.5","130","","130","","","","","","","","","5","P -1","-P 1","2","","","","- C42 H48 Al N2 O5 -","- C42 H48 Al N2 O5 -","- C168 H192 Al4 N8 O20 -","4","2","","Kan, Chao; Ge, Jilei; Ma, Haiyan","Aluminum methyl, alkoxide and α-alkoxy ester complexes supported by 6,6'-dimethylbiphenyl-bridged salen ligands: synthesis, characterization and catalysis for rac-lactide polymerization.","Dalton transactions (Cambridge, England : 2003)","2016","45","15","6682","6695","10.1039/c5dt04633e","","","0.71073","MoKα","","0.1131","0.0787","","","0.2097","0.2237","","","","","","1.105","","","","has coordinates,has disorder","233448","2020-10-21","18:00:00",""
"7702050","15.436","0.0006","9.9516","0.0004","26.6168","0.0009","90","","91.816","0.003","90","","4086.6","0.3","150","","150","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C36 H48 Cd Cl N5 O7 Se2 -","- C36 H48 Cd Cl N5 O7 Se2 -","- C144 H192 Cd4 Cl4 N20 O28 Se8 -","4","1","","Naga Babu, Chatla; Srinivas, Katam; Prabusankar, Ganesan","Facile access to zinc and cadmium selones: highly active catalysts for Barbier reactions in aqueous media.","Dalton transactions (Cambridge, England : 2003)","2016","45","15","6456","6465","10.1039/c5dt04871k","","x-ray","1.54184","CuKα","","0.076","0.069","","","0.1884","0.2036","","","","","","1.0375","","","","has coordinates","233452","2020-10-21","18:00:00",""
"7702051","39.4115","0.0004","39.4115","0.0004","39.4115","0.0004","90","","90","","90","","61216.6","1.1","293","","293","","","","","","","","","7","F -4 3 c","F -4a 2 3","219","","","","- C216 H288 Cd3 Cl5 N24 O44 Se12 -","- C216 H288 Cd3 Cl4.99996 N24 O44 Se12 -","- C1728 H2304 Cd24 Cl39.9997 N192 O352 Se96 -","8","0.0833333","","Naga Babu, Chatla; Srinivas, Katam; Prabusankar, Ganesan","Facile access to zinc and cadmium selones: highly active catalysts for Barbier reactions in aqueous media.","Dalton transactions (Cambridge, England : 2003)","2016","45","15","6456","6465","10.1039/c5dt04871k","","x-ray","1.54184","CuKα","","0.052911","0.041308","","","","0.12664","","","","","","1.05267","","","","has coordinates","233452","2020-10-21","18:00:00",""
"7702052","38.8082","0.0005","38.8082","0.0005","38.8082","0.0005","90","","90","","90","","58448.1","1.3","150","","150","","","","","","","","","7","F -4 3 c","F -4a 2 3","219","","","","- C216 H288 Cl5 N24 O52 Se12 Zn3 -","- C216 H288 Cl4.99996 N24 O52 Se12 Zn3 -","- C1728 H2304 Cl39.9997 N192 O416 Se96 Zn24 -","8","0.0833333","","Naga Babu, Chatla; Srinivas, Katam; Prabusankar, Ganesan","Facile access to zinc and cadmium selones: highly active catalysts for Barbier reactions in aqueous media.","Dalton transactions (Cambridge, England : 2003)","2016","45","15","6456","6465","10.1039/c5dt04871k","","x-ray","1.54184","CuKα","","0.062882","0.057438","","","","0.171034","","","","","","1.02092","","","","has coordinates","233452","2020-10-21","18:00:00",""
"7702053","7.35782","0.00016","11.7976","0.0003","21.8444","0.0005","90","","93.068","0.002","90","","1893.48","0.08","298","","298","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C15 H18 Cd Cl2 N2 O2 Se -","- C15 H18 Cd Cl2 N2 O2 Se -","- C60 H72 Cd4 Cl8 N8 O8 Se4 -","4","1","","Naga Babu, Chatla; Srinivas, Katam; Prabusankar, Ganesan","Facile access to zinc and cadmium selones: highly active catalysts for Barbier reactions in aqueous media.","Dalton transactions (Cambridge, England : 2003)","2016","45","15","6456","6465","10.1039/c5dt04871k","","x-ray","1.54184","CuKα","","0.0392","0.0362","","","0.104","0.1077","","","","","","1.0447","","","","has coordinates","233452","2020-10-21","18:00:00",""
"7702054","14.618","0.0003","14.618","0.0003","45.0966","0.001","90","","90","","120","","8345.5","0.3","293","","293","","","","","","","","","7","R -3 :H","-R 3","148","","","","- C45 H54 Cd Cl2 N6 O10 Se3 -","- C45 H54 Cd Cl2 N6 O10 Se3 -","- C270 H324 Cd6 Cl12 N36 O60 Se18 -","6","0.333333","","Naga Babu, Chatla; Srinivas, Katam; Prabusankar, Ganesan","Facile access to zinc and cadmium selones: highly active catalysts for Barbier reactions in aqueous media.","Dalton transactions (Cambridge, England : 2003)","2016","45","15","6456","6465","10.1039/c5dt04871k","","x-ray","1.54184","CuKα","","0.045","0.0417","","","0.1416","0.1482","","","","","","1.0384","","","","has coordinates","233452","2020-10-21","18:00:00",""
"7702055","11.82385","0.00011","11.82385","0.00011","28.549","0.0004","90","","90","","90","","3991.25","0.08","150","","150","","","","","","","","","7","P 43 2 2","P 4cw 2c","95","","","","- C30 H41 Cl2 N4 O15 Se2 Zn -","- C30 H41 Cl2 N4 O15 Se2 Zn -","- C120 H164 Cl8 N16 O60 Se8 Zn4 -","4","0.5","","Naga Babu, Chatla; Srinivas, Katam; Prabusankar, Ganesan","Facile access to zinc and cadmium selones: highly active catalysts for Barbier reactions in aqueous media.","Dalton transactions (Cambridge, England : 2003)","2016","45","15","6456","6465","10.1039/c5dt04871k","","x-ray","1.54184","CuKα","","0.0672","0.0619","","","0.1744","0.1838","","","","","","1.0404","","","","has coordinates","233452","2020-10-21","18:00:00",""
"7702056","7.6495","0.0003","12.469","0.0005","16.5823","0.0006","90","","92.492","0.003","90","","1580.15","0.11","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H18 N2 O3 Se -","- C14 H18 N2 O3 Se -","- C56 H72 N8 O12 Se4 -","4","1","","Naga Babu, Chatla; Srinivas, Katam; Prabusankar, Ganesan","Facile access to zinc and cadmium selones: highly active catalysts for Barbier reactions in aqueous media.","Dalton transactions (Cambridge, England : 2003)","2016","45","15","6456","6465","10.1039/c5dt04871k","","x-ray","1.54184","CuKα","","0.0514","0.0403","","","0.1088","0.1213","","","","","","1.0692","","","","has coordinates","233452","2020-10-21","18:00:00",""
"7702057","13.5916","0.0008","11.5913","0.0007","7.3557","0.0004","90","","90","","90","","1158.85","0.12","100","2","100","2","","","","","","","","4","P n a 21","P 2c -2n","33","MeO-oHBI","(Z)-5-(2-hydroxy-5-methoxybenzylidene)-2,3-dimethyl-3,5-dihydro-4H-imidazol-4-one","","- C13 H14 N2 O3 -","- C13 H14 N2 O3 -","- C52 H56 N8 O12 -","4","1","","Dolgopolova, E. A.; Moore, T. M.; Fellows, W. B.; Smith, M. D.; Shustova, N. B.","Photophysics of GFP-related chromophores imposed by a scaffold design.","Dalton transactions (Cambridge, England : 2003)","2016","45","24","9884","9891","10.1039/c5dt05063d","","x-ray","0.71073","MoKα","","0.0349","0.0334","","","0.0913","0.0925","","","","","","1.064","","","","has coordinates","233456","2020-10-21","18:00:00",""
"7702058","53.077","0.002","53.077","0.002","53.077","0.002","90","","90","","90","","149527","10","100","2","100","2","","","","","","","","5","F m -3 c","-F 4a 2 3","226","","","","- C45 H39 N3 O30 Zn6 -","- C45 H33 N3 O30 Zn6 -","- C2880 H2112 N192 O1920 Zn384 -","64","0.333333","","Dolgopolova, E. A.; Moore, T. M.; Fellows, W. B.; Smith, M. D.; Shustova, N. B.","Photophysics of GFP-related chromophores imposed by a scaffold design.","Dalton transactions (Cambridge, England : 2003)","2016","45","24","9884","9891","10.1039/c5dt05063d","","x-ray","0.71073","MoKα","","0.0916","0.0709","","","0.2086","0.2184","","","","","","1.065","","","","has coordinates","233456","2020-10-21","18:00:00",""
"7702059","24.226","0.002","20.495","0.002","12.7686","0.0012","90","","90","","90","","6339.8","1","293","2","293","2","","","","","","","","6","C m c e","-C 2ac 2","64","","","","- C26 H20 Co N6 O6 S -","- C26 H20 Co N6 O6 S -","- C208 H160 Co8 N48 O48 S8 -","8","0.5","","Yan, Wei; Hao, Han; Zheng, Hegen","Four coordination polymers derived from a one-pot reaction and their controlled synthesis.","Dalton transactions (Cambridge, England : 2003)","2016","45","15","6418","6423","10.1039/c6dt00349d","","","0.71073","MoKα","","0.0618","0.0469","","","0.1453","0.154","","","","","","1.093","","","","has coordinates","234721","2020-10-21","18:00:00",""
"7702060","7.0828","0.0007","12.9378","0.0013","12.9943","0.0013","109.355","0.001","92.922","0.001","101.733","0.001","1090.91","0.19","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C21 H15 Co N2 O6 S -","- C21 H15 Co N2 O6 S -","- C42 H30 Co2 N4 O12 S2 -","2","1","","Yan, Wei; Hao, Han; Zheng, Hegen","Four coordination polymers derived from a one-pot reaction and their controlled synthesis.","Dalton transactions (Cambridge, England : 2003)","2016","45","15","6418","6423","10.1039/c6dt00349d","","","0.71073","MoKα","","0.0335","0.0322","","","0.1131","0.1143","","","","","","1.036","","","","has coordinates","234721","2020-10-21","18:00:00",""
"7702061","10.503","0.002","17.689","0.004","14.495","0.003","90","","102.17","0.03","90","","2632.5","1","113.15","","113.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H24 Co2 N2 O7 -","- C20 H24 Co2 N2 O7 -","- C80 H96 Co8 N8 O28 -","4","1","","Jiang, Lin; Zhang, Dong-Yan; Suo, Jing-Jing; Gu, Wen; Tian, Jin-Lei; Liu, Xin; Yan, Shi-Ping","Synthesis, magnetism and spectral studies of six defective dicubane tetranuclear {M4O6} (M = Ni(II), Co(II), Zn(II)) and three trinuclear Cd(II) complexes with polydentate Schiff base ligands.","Dalton transactions (Cambridge, England : 2003)","2016","45","25","10233","10248","10.1039/c6dt00380j","","","0.71073","MoKα","","0.0925","0.0664","","","0.1647","0.1768","","","","","","0.989","","","","has coordinates","234724","2020-10-21","18:00:00",""
"7702062","9.4859","0.0019","19.986","0.004","14.498","0.003","90","","97.14","0.03","90","","2727.3","1","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C46 H60 Cl6 N4 Ni4 O16 -","- C46 H60 Cl6 N4 Ni4 O16 -","- C92 H120 Cl12 N8 Ni8 O32 -","2","0.5","","Jiang, Lin; Zhang, Dong-Yan; Suo, Jing-Jing; Gu, Wen; Tian, Jin-Lei; Liu, Xin; Yan, Shi-Ping","Synthesis, magnetism and spectral studies of six defective dicubane tetranuclear {M4O6} (M = Ni(II), Co(II), Zn(II)) and three trinuclear Cd(II) complexes with polydentate Schiff base ligands.","Dalton transactions (Cambridge, England : 2003)","2016","45","25","10233","10248","10.1039/c6dt00380j","","","0.71073","MoKα","","0.1038","0.0857","","","0.2325","0.2506","","","","","","1.07","","","","has coordinates","234724","2020-10-21","18:00:00",""
"7702063","17.1056","0.0004","11.7616","0.0002","27.3199","0.0008","90","","104.388","0.002","90","","5324.1","0.2","125.4","0.14","125.4","0.14","","","","","","","","6","I 1 2/c 1","-I 2yc","15","","","","- C44 H54 Br4 Co4 N4 O17 -","- C44 H54 Br4 Co4 N4 O17 -","- C176 H216 Br16 Co16 N16 O68 -","4","0.5","","Jiang, Lin; Zhang, Dong-Yan; Suo, Jing-Jing; Gu, Wen; Tian, Jin-Lei; Liu, Xin; Yan, Shi-Ping","Synthesis, magnetism and spectral studies of six defective dicubane tetranuclear {M4O6} (M = Ni(II), Co(II), Zn(II)) and three trinuclear Cd(II) complexes with polydentate Schiff base ligands.","Dalton transactions (Cambridge, England : 2003)","2016","45","25","10233","10248","10.1039/c6dt00380j","","","0.71073","MoKα","","0.0396","0.0318","","","0.0736","0.077","","","","","","1.0662","","","","has coordinates","234724","2020-10-21","18:00:00",""
"7702064","12.212","0.002","16.6","0.003","13.056","0.003","90","","90.21","0.03","90","","2646.7","0.9","113.15","","113.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C46 H68 N4 O18 Zn4 -","- C46 H68 N4 O18 Zn4 -","- C92 H136 N8 O36 Zn8 -","2","0.5","","Jiang, Lin; Zhang, Dong-Yan; Suo, Jing-Jing; Gu, Wen; Tian, Jin-Lei; Liu, Xin; Yan, Shi-Ping","Synthesis, magnetism and spectral studies of six defective dicubane tetranuclear {M4O6} (M = Ni(II), Co(II), Zn(II)) and three trinuclear Cd(II) complexes with polydentate Schiff base ligands.","Dalton transactions (Cambridge, England : 2003)","2016","45","25","10233","10248","10.1039/c6dt00380j","","","0.71073","MoKα","","0.0357","0.0312","","","0.0708","0.0739","","","","","","1.0333","","","","has coordinates","234724","2020-10-21","18:00:00",""
"7702065","11.22","0.002","12.342","0.003","13.322","0.003","66.12","0.03","80.13","0.03","79.1","0.03","1647.2","0.7","113.15","","113.15","","","","","","","","","5","P -1","-P 1","2","","","","- C28 H42 N8 Ni2 O9 -","- C28 H42 N8 Ni2 O9 -","- C56 H84 N16 Ni4 O18 -","2","1","","Jiang, Lin; Zhang, Dong-Yan; Suo, Jing-Jing; Gu, Wen; Tian, Jin-Lei; Liu, Xin; Yan, Shi-Ping","Synthesis, magnetism and spectral studies of six defective dicubane tetranuclear {M4O6} (M = Ni(II), Co(II), Zn(II)) and three trinuclear Cd(II) complexes with polydentate Schiff base ligands.","Dalton transactions (Cambridge, England : 2003)","2016","45","25","10233","10248","10.1039/c6dt00380j","","","0.71073","MoKα","","0.0766","0.0576","","","0.1672","0.1824","","","","","","1.033","","","","has coordinates","234724","2020-10-21","18:00:00",""
"7702066","15.9377","0.0005","15.2966","0.0004","21.3004","0.0007","90","","109.035","0.003","90","","4908.9","0.3","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C44 H53 Cd3 N4 O16 -","- C44 H53 Cd3 N4 O16 -","- C176 H212 Cd12 N16 O64 -","4","1","","Jiang, Lin; Zhang, Dong-Yan; Suo, Jing-Jing; Gu, Wen; Tian, Jin-Lei; Liu, Xin; Yan, Shi-Ping","Synthesis, magnetism and spectral studies of six defective dicubane tetranuclear {M4O6} (M = Ni(II), Co(II), Zn(II)) and three trinuclear Cd(II) complexes with polydentate Schiff base ligands.","Dalton transactions (Cambridge, England : 2003)","2016","45","25","10233","10248","10.1039/c6dt00380j","","","0.71073","MoKα","","0.0375","0.0326","","","0.0741","0.0764","","","","","","1.09","","","","has coordinates","234724","2020-10-21","18:00:00",""
"7702067","16.133","0.003","15.107","0.003","24.295","0.009","90","","116.57","0.02","90","","5296","3","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C43 H46 Br4 Cd3 N4 O15 -","- C43 H46 Br4 Cd3 N4 O15 -","- C172 H184 Br16 Cd12 N16 O60 -","4","1","","Jiang, Lin; Zhang, Dong-Yan; Suo, Jing-Jing; Gu, Wen; Tian, Jin-Lei; Liu, Xin; Yan, Shi-Ping","Synthesis, magnetism and spectral studies of six defective dicubane tetranuclear {M4O6} (M = Ni(II), Co(II), Zn(II)) and three trinuclear Cd(II) complexes with polydentate Schiff base ligands.","Dalton transactions (Cambridge, England : 2003)","2016","45","25","10233","10248","10.1039/c6dt00380j","","","0.71073","MoKα","","0.0478","0.0348","","","0.076","0.0805","","","","","","1.037","","","","has coordinates","234724","2020-10-21","18:00:00",""
"7702068","15.432","0.003","19.782","0.004","15.142","0.003","90","","90","","90","","4622.5","1.6","113.15","","113.15","","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C38 H40 Cd3 Cl2 N4 O10 -","- C38 H40 Cd3 Cl2 N4 O10 -","- C152 H160 Cd12 Cl8 N16 O40 -","4","0.5","","Jiang, Lin; Zhang, Dong-Yan; Suo, Jing-Jing; Gu, Wen; Tian, Jin-Lei; Liu, Xin; Yan, Shi-Ping","Synthesis, magnetism and spectral studies of six defective dicubane tetranuclear {M4O6} (M = Ni(II), Co(II), Zn(II)) and three trinuclear Cd(II) complexes with polydentate Schiff base ligands.","Dalton transactions (Cambridge, England : 2003)","2016","45","25","10233","10248","10.1039/c6dt00380j","","","0.71073","MoKα","","0.048","0.0431","","","0.1519","0.1569","","","","","","1.187","","","","has coordinates","234724","2020-10-21","18:00:00",""
"7702069","27.937","0.01","11.757","0.004","16.933","0.006","90","","111.483","0.004","90","","5175","3","113","","113","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C44 H54 Br4 N4 Ni4 O17 -","- C44 H52 Br4 N4 Ni4 O17 -","- C176 H208 Br16 N16 Ni16 O68 -","4","0.5","","Jiang, Lin; Zhang, Dong-Yan; Suo, Jing-Jing; Gu, Wen; Tian, Jin-Lei; Liu, Xin; Yan, Shi-Ping","Synthesis, magnetism and spectral studies of six defective dicubane tetranuclear {M4O6} (M = Ni(II), Co(II), Zn(II)) and three trinuclear Cd(II) complexes with polydentate Schiff base ligands.","Dalton transactions (Cambridge, England : 2003)","2016","45","25","10233","10248","10.1039/c6dt00380j","","","0.71073","MoKα","","0.0673","0.0542","","","0.1706","0.1757","","","","","","1.271","","","","has coordinates","234724","2020-10-21","18:00:00",""
"7702070","9.22763","0.00008","9.28611","0.00007","9.37888","0.00006","85.2128","0.0005","77.3119","0.0006","89.3472","0.0006","781.285","0.01","","","293","","","","","","","","","6","P -1","-P 1","2","aluminophosphate chabazite","triclinic AlPO4-34","","- C7.83 Al3 F N2 O12 P3 -","- C7.83334 Al3 F N2 O12 P3 -","- C15.6667 Al6 F2 N4 O24 P6 -","2","1","","Lee, Jeong Hwan; Kim, Eun Jeong; López-Arbeloa, Fernando; Hong, Suk Bong; Camblor, Miguel A.","Microporous aluminophosphates synthesized with 1,2,3-trimethylimidazolium and fluoride.","Dalton transactions (Cambridge, England : 2003)","2016","45","18","7616","7626","10.1039/c6dt00734a","powder diffraction","x-ray","0.82548","","","","","","","","","0.06202","","2.61","","","","","","","has coordinates","234728","2020-10-21","18:00:00",""
"7702071","13.1713","0.0014","15.9359","0.0016","31.481","0.003","90","","90","","90","","6607.8","1.2","90","2","90.15","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C28 H38.19 Cu N10 O12.19 -","- C28 H38.19 Cu N10 O12.19 -","- C224 H305.52 Cu8 N80 O97.52 -","8","1","","Ramogida, Caterina F.; Boros, Eszter; Patrick, Brian O.; Zeisler, Stefan K.; Kumlin, Joel; Adam, Michael J.; Schaffer, Paul; Orvig, Chris","Evaluation of H2CHXdedpa, H2dedpa- and H2CHXdedpa-N,N'-propyl-2-NI ligands for (64)Cu(ii) radiopharmaceuticals.","Dalton transactions (Cambridge, England : 2003)","2016","45","33","13082","13090","10.1039/c6dt00932h","","","0.71073","MoKα","","0.0592","0.036","","","0.0809","0.0903","","","","","","1.008","","","","has coordinates,has disorder","234730","2020-10-21","18:00:00",""
"7702072","8.344","0.001","8.344","","44.637","0.006","90","","90","","90","","3107.7","0.6","90","2","90","2","","","","","","","","5","P 41","P 4w","76","","","","- C32 H37 Cu N10 O8 -","- C32 H37 Cu N10 O8 -","- C128 H148 Cu4 N40 O32 -","4","1","","Ramogida, Caterina F.; Boros, Eszter; Patrick, Brian O.; Zeisler, Stefan K.; Kumlin, Joel; Adam, Michael J.; Schaffer, Paul; Orvig, Chris","Evaluation of H2CHXdedpa, H2dedpa- and H2CHXdedpa-N,N'-propyl-2-NI ligands for (64)Cu(ii) radiopharmaceuticals.","Dalton transactions (Cambridge, England : 2003)","2016","45","33","13082","13090","10.1039/c6dt00932h","","","0.71073","MoKα","","0.0405","0.0371","","","0.0734","0.0746","","","","","","1.076","","","","has coordinates","234730","2020-10-21","18:00:00",""
"7702073","13.3974","0.0009","12.4285","0.0009","14.1808","0.001","90","","90","","90","","2361.2","0.3","100","2","100","2","","","","","","","","5","P c a 21","P 2c -2ac","29","[NbBr4(DMPE)2]]","","","- C12 H32 Br4 Nb P4 -","- C12 H32 Br4 Nb P4 -","- C48 H128 Br16 Nb4 P16 -","4","1","","Benjamin, Sophie L.; Chang, Yao-Pang; Hector, Andrew L.; Jura, Marek; Levason, William; Reid, Gillian; Stenning, Gavin","Niobium tetrahalide complexes with neutral diphosphine ligands.","Dalton transactions (Cambridge, England : 2003)","2016","45","19","8192","8200","10.1039/c6dt01099g","","","0.71073","MoKα","","0.025","0.0221","","","0.0424","0.0435","","","","","","1.036","","","","has coordinates","234732","2020-10-21","18:00:00",""
"7702074","10.5571","0.0005","11.6652","0.0005","11.9053","0.0008","90","","95.008","0.007","90","","1460.55","0.14","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C20 H48 Cl4 Nb P4 -","- C20 H48 Cl4 Nb P4 -","- C40 H96 Cl8 Nb2 P8 -","2","1","","Benjamin, Sophie L.; Chang, Yao-Pang; Hector, Andrew L.; Jura, Marek; Levason, William; Reid, Gillian; Stenning, Gavin","Niobium tetrahalide complexes with neutral diphosphine ligands.","Dalton transactions (Cambridge, England : 2003)","2016","45","19","8192","8200","10.1039/c6dt01099g","","","0.71073","MoKα","","0.017","0.0166","","","0.0402","0.0404","","","","","","1.066","","","","has coordinates,has disorder","234732","2020-10-21","18:00:00",""
"7702075","8.9876","0.0007","8.9876","0.0007","16.1482","0.0011","90","","90","","90","","1304.4","0.17","100","2","100","2","","","","","","","","5","I -4 2 m","I -4 2","121","[NbCl4(o-DMPB)2]","","","- C20 H32 Cl4 Nb P4 -","- C20 H32 Cl4 Nb P4 -","- C40 H64 Cl8 Nb2 P8 -","2","0.125","","Benjamin, Sophie L.; Chang, Yao-Pang; Hector, Andrew L.; Jura, Marek; Levason, William; Reid, Gillian; Stenning, Gavin","Niobium tetrahalide complexes with neutral diphosphine ligands.","Dalton transactions (Cambridge, England : 2003)","2016","45","19","8192","8200","10.1039/c6dt01099g","","","0.71073","MoKα","","0.0523","0.0477","","","0.1111","0.1149","","","","","","1.114","","","","has coordinates","234732","2020-10-21","18:00:00",""
"7702076","10.7216","0.0009","11.2891","0.001","9.4711","0.0009","90","","90","","90","","1146.36","0.18","100","2","100","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","[NbCl4(DMPE)2]","","","- C12 H32 Cl4 Nb P4 -","- C12 H32 Cl4 Nb P4 -","- C24 H64 Cl8 Nb2 P8 -","2","0.5","","Benjamin, Sophie L.; Chang, Yao-Pang; Hector, Andrew L.; Jura, Marek; Levason, William; Reid, Gillian; Stenning, Gavin","Niobium tetrahalide complexes with neutral diphosphine ligands.","Dalton transactions (Cambridge, England : 2003)","2016","45","19","8192","8200","10.1039/c6dt01099g","","","0.71075","MoKα","","0.0223","0.0209","","","0.0453","0.0457","","","","","","1.045","","","","has coordinates","234732","2020-10-21","18:00:00",""
"7702077","9.8162","0.0003","11.6449","0.0003","20.2185","0.0014","90","","95.496","0.007","90","","2300.53","0.19","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","[{NbOCl3(DEPE)2}(DEPE)]","","","- C30 H72 Cl6 Nb2 O2 P6 -","- C30 H72 Cl6 Nb2 O2 P6 -","- C60 H144 Cl12 Nb4 O4 P12 -","2","0.5","","Benjamin, Sophie L.; Chang, Yao-Pang; Hector, Andrew L.; Jura, Marek; Levason, William; Reid, Gillian; Stenning, Gavin","Niobium tetrahalide complexes with neutral diphosphine ligands.","Dalton transactions (Cambridge, England : 2003)","2016","45","19","8192","8200","10.1039/c6dt01099g","","","0.71073","MoKα","","0.0358","0.0288","","","0.0637","0.0665","","","","","","1.072","","","","has coordinates","234732","2020-10-21","18:00:00",""
"7702078","12.011","0.003","12.011","0.003","11.065","0.004","90","","90","","90","","1596.3","0.8","100","2","100","2","","","","","","","","7","P 4/n :2","-P 4a","85","","","","- C14 H35 Br8 N Nb2 O P4 -","- C14 H32 Br8 N Nb2 O P4 -","- C28 H64 Br16 N2 Nb4 O2 P8 -","2","0.25","","Benjamin, Sophie L.; Chang, Yao-Pang; Hector, Andrew L.; Jura, Marek; Levason, William; Reid, Gillian; Stenning, Gavin","Niobium tetrahalide complexes with neutral diphosphine ligands.","Dalton transactions (Cambridge, England : 2003)","2016","45","19","8192","8200","10.1039/c6dt01099g","","","0.71073","MoKα","","0.0198","0.0188","","","0.0486","0.049","","","","","","1.081","","","","has coordinates","234732","2020-10-21","18:00:00",""
"7702079","8.6119","0.0006","7.1821","0.0005","9.3626","0.0008","90","","92.212","0.004","90","","578.66","0.08","298","","298","","","","","","","","","2","I 1 2/m 1","-I 2y","12","Niobium(IV) Tetrabromoide","Niobium(IV) Tetrabromoide","","- Br4 Nb -","- Br4 Nb -","- Br16 Nb4 -","4","0.5","","Benjamin, Sophie L.; Chang, Yao-Pang; Hector, Andrew L.; Jura, Marek; Levason, William; Reid, Gillian; Stenning, Gavin","Niobium tetrahalide complexes with neutral diphosphine ligands.","Dalton transactions (Cambridge, England : 2003)","2016","45","19","8192","8200","10.1039/c6dt01099g","powder diffraction","x-ray","1.54184","CuKα","","","","","","","","0.04651","","3.31","","","","","","","has coordinates","234732","2020-10-21","18:00:00",""
"7702080","16.6512","0.0013","8.7599","0.0005","32.962","0.002","90","","97.279","0.006","90","","4769.2","0.5","150","2","149.71","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C22 H40 B N P2 -","- C22 H40 B N P2 -","- C176 H320 B8 N8 P16 -","8","1","","Fan, Louie; Stephan, Douglas W.","PNPCB heterocycles via thermal and Lewis acid catalyzed trans-hydroborations.","Dalton transactions (Cambridge, England : 2003)","2016","45","22","9229","9234","10.1039/c6dt01659f","","","0.71073","MoKα","","0.0806","0.0445","","","0.0947","0.1124","","","","","","1.0318","","","","has coordinates","234737","2020-10-21","18:00:00",""
"7702081","8.9183","0.0005","16.6266","0.0008","17.4581","0.001","90","","91.698","0.002","90","","2587.6","0.2","150","2","149.7","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C26 H38 B N P2 -","- C26 H38 B N P2 -","- C104 H152 B4 N4 P8 -","4","1","","Fan, Louie; Stephan, Douglas W.","PNPCB heterocycles via thermal and Lewis acid catalyzed trans-hydroborations.","Dalton transactions (Cambridge, England : 2003)","2016","45","22","9229","9234","10.1039/c6dt01659f","","","0.71073","MoKα","","0.0646","0.0421","","","0.1017","0.1146","","","","","","1.042","","","","has coordinates,has disorder","234737","2020-10-21","18:00:00",""
"7702082","9.7047","0.0007","16.3976","0.0009","15.2998","0.001","90","","105.659","0.004","90","","2344.4","0.3","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H40 B N P2 -","- C22 H40 B N P2 -","- C88 H160 B4 N4 P8 -","4","1","","Fan, Louie; Stephan, Douglas W.","PNPCB heterocycles via thermal and Lewis acid catalyzed trans-hydroborations.","Dalton transactions (Cambridge, England : 2003)","2016","45","22","9229","9234","10.1039/c6dt01659f","","","0.71073","MoKα","","0.185","0.0846","","","0.137","0.1711","","","","","","1.034","","","","has coordinates,has disorder","234737","2020-10-21","18:00:00",""
"7702083","8.8873","0.0004","9.6687","0.0005","15.5632","0.0008","85.608","0.002","88.203","0.002","65.678","0.002","1215.05","0.11","150","2","149.7","","","","","","","","","5","P -1","-P 1","2","","","","- C20 H44 B N P2 -","- C20 H44 B N P2 -","- C40 H88 B2 N2 P4 -","2","1","","Fan, Louie; Stephan, Douglas W.","PNPCB heterocycles via thermal and Lewis acid catalyzed trans-hydroborations.","Dalton transactions (Cambridge, England : 2003)","2016","45","22","9229","9234","10.1039/c6dt01659f","","","0.71073","MoKα","","0.0424","0.0336","","","0.0825","0.0889","","","","","","1.0354","","","","has coordinates","234737","2020-10-21","18:00:00",""
"7702084","17.191","0.0012","9.0756","0.0008","17.2932","0.0013","90","","111.777","0.004","90","","2505.5","0.3","150","2","149.69","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C26 H32 B N P2 -","- C26 H32 B N P2 -","- C104 H128 B4 N4 P8 -","4","1","","Fan, Louie; Stephan, Douglas W.","PNPCB heterocycles via thermal and Lewis acid catalyzed trans-hydroborations.","Dalton transactions (Cambridge, England : 2003)","2016","45","22","9229","9234","10.1039/c6dt01659f","","","0.71073","MoKα","","0.0889","0.0463","","","0.0925","0.11","","","","","","1.0222","","","","has coordinates","234737","2020-10-21","18:00:00",""
"7702085","8.3977","0.0008","9.8974","0.0008","17.1444","0.0014","86.08","0.005","78.918","0.004","65.594","0.004","1273.3","0.2","150","2","149.7","","","","","","","","","5","P -1","-P 1","2","","","","- C22 H46 B N P2 -","- C22 H46 B N P2 -","- C44 H92 B2 N2 P4 -","2","1","","Fan, Louie; Stephan, Douglas W.","PNPCB heterocycles via thermal and Lewis acid catalyzed trans-hydroborations.","Dalton transactions (Cambridge, England : 2003)","2016","45","22","9229","9234","10.1039/c6dt01659f","","","0.71073","MoKα","","0.0454","0.0351","","","0.0843","0.0904","","","","","","1.0571","","","","has coordinates","234737","2020-10-21","18:00:00",""
"7702086","10.3495","0.0007","15.2609","0.0011","16.9887","0.0012","108.455","0.003","104.696","0.003","92.445","0.004","2439.8","0.3","150","2","149.97","","","","","","","","","5","P -1","-P 1","2","","","","- C52 H64 B2 N2 P4 -","- C52 H64 B2 N2 P4 -","- C104 H128 B4 N4 P8 -","2","1","","Fan, Louie; Stephan, Douglas W.","PNPCB heterocycles via thermal and Lewis acid catalyzed trans-hydroborations.","Dalton transactions (Cambridge, England : 2003)","2016","45","22","9229","9234","10.1039/c6dt01659f","","","0.71073","MoKα","","0.046","0.0375","","","0.0971","0.1041","","","","","","1.042","","","","has coordinates","234737","2020-10-21","18:00:00",""
"7702087","41.0051","0.0009","41.0051","0.0009","41.0051","0.0009","90","","90","","90","","68947","3","293","2","293","2","","","","","","","","5","F m -3 c","-F 4a 2 3","226","","","","- C960 H192 O552 S192 Sr104 -","- C960 H192 O552 S192 Sr104 -","- C960 H192 O552 S192 Sr104 -","1","0.00520833","","Shen, Yu; Fan, Cong-Cong; Wei, Yu-Zhen; Du, Jie; Zhu, Hai-Bin; Zhao, Yue","An anionic zeolite-like metal-organic framework (AZMOF) with a Moravia network for organic dye absorption through cation-exchange.","Dalton transactions (Cambridge, England : 2003)","2016","45","27","10909","10915","10.1039/c6dt01697a","","","0.71073","MoKα","","0.1052","0.0859","","","0.2517","0.2671","","","","","","1.853","","","","has coordinates","234740","2020-10-21","18:00:00",""
"7702088","18.6702","0.0004","7.6361","0.0003","37.4789","0.0012","90","","90","","90","","5343.3","0.3","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C35 H24 F2 N P Pt -","- C35 H24 F2 N P Pt -","- C280 H192 F16 N8 P8 Pt8 -","8","1","","Shaw, Paul A.; Phillips, Jessica M.; Clarkson, Guy J.; Rourke, Jonathan P.","Trapping five-coordinate platinum(iv) intermediates.","Dalton transactions (Cambridge, England : 2003)","2016","45","28","11397","11406","10.1039/c6dt02088g","","","0.71073","MoKα","","0.0618","0.0372","","","0.0539","0.0565","","","","","","0.936","","","","has coordinates","234743","2020-10-21","18:00:00",""
"7702089","8.39188","0.00017","12.5024","0.0003","22.3193","0.0005","85.0481","0.0018","80.9008","0.0018","83.973","0.0017","2293.66","0.09","150","2","150","2","","","","","","","","8","P -1","-P 1","2","","","","- C20 H16 Cl5 F2 N O Pt S -","- C20 H16 Cl5 F2 N O Pt S -","- C80 H64 Cl20 F8 N4 O4 Pt4 S4 -","4","2","","Shaw, Paul A.; Phillips, Jessica M.; Clarkson, Guy J.; Rourke, Jonathan P.","Trapping five-coordinate platinum(iv) intermediates.","Dalton transactions (Cambridge, England : 2003)","2016","45","28","11397","11406","10.1039/c6dt02088g","","","1.54184","CuKα","","0.0592","0.0568","","","0.1367","0.1385","","","","","","1.13","","","","has coordinates,has disorder","234743","2020-10-21","18:00:00",""
"7702090","8.116","0.0004","10.4007","0.0005","14.6707","0.0006","78.098","0.004","79.63","0.004","75.596","0.004","1162.8","0.1","150","2","150","2","","","","","","","","8","P -1","-P 1","2","","","","- C20 H16 Cl5 F2 N O Pt S -","- C20 H16 Cl5 F2 N O Pt S -","- C40 H32 Cl10 F4 N2 O2 Pt2 S2 -","2","1","","Shaw, Paul A.; Phillips, Jessica M.; Clarkson, Guy J.; Rourke, Jonathan P.","Trapping five-coordinate platinum(iv) intermediates.","Dalton transactions (Cambridge, England : 2003)","2016","45","28","11397","11406","10.1039/c6dt02088g","","x-ray","0.71073","MoKα","","0.0469","0.0414","","","0.1037","0.1082","","","","","","1.052","","","","has coordinates","234743","2020-10-21","18:00:00",""
"7702091","8.97222","0.00014","9.20765","0.00017","15.2259","0.0003","106.61","0.0016","92.0547","0.0013","106.673","0.0015","1145.14","0.04","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C26 H30 F2 N P Pt -","- C26 H30 F2 N P Pt -","- C52 H60 F4 N2 P2 Pt2 -","2","1","","Shaw, Paul A.; Phillips, Jessica M.; Clarkson, Guy J.; Rourke, Jonathan P.","Trapping five-coordinate platinum(iv) intermediates.","Dalton transactions (Cambridge, England : 2003)","2016","45","28","11397","11406","10.1039/c6dt02088g","","x-ray","0.71073","MoKα","","0.0217","0.0194","","","0.0414","0.0428","","","","","","1.074","","","","has coordinates","234743","2020-10-21","18:00:00",""
"7702092","18.3851","0.0002","12.6327","0.0002","11.0342","0.0001","90","","90","","90","","2562.73","0.05","150","2","150","2","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C26 H30 Cl2 F2 N P Pt -","- C26 H30 Cl2 F2 N P Pt -","- C104 H120 Cl8 F8 N4 P4 Pt4 -","4","1","","Shaw, Paul A.; Phillips, Jessica M.; Clarkson, Guy J.; Rourke, Jonathan P.","Trapping five-coordinate platinum(iv) intermediates.","Dalton transactions (Cambridge, England : 2003)","2016","45","28","11397","11406","10.1039/c6dt02088g","","x-ray","0.71073","MoKα","","0.0287","0.0223","","","0.0394","0.0412","","","","","","1.028","","","","has coordinates","234743","2020-10-21","18:00:00",""
"7702093","18.2105","0.0002","17.9198","0.0001","17.5935","0.0001","90","","90","","90","","5741.26","0.08","150","2","150","2","","","","","","","","7","A e a 2","A 2 -2ab","41","","","","- C29.5 H34 Cl2 F2 N P Pt -","- C29.5 H34 Cl2 F2 N P Pt -","- C236 H272 Cl16 F16 N8 P8 Pt8 -","8","1","","Shaw, Paul A.; Phillips, Jessica M.; Clarkson, Guy J.; Rourke, Jonathan P.","Trapping five-coordinate platinum(iv) intermediates.","Dalton transactions (Cambridge, England : 2003)","2016","45","28","11397","11406","10.1039/c6dt02088g","","x-ray","1.54178","CuKα","","0.0285","0.0264","","","0.0641","0.0656","","","","","","1.051","","","","has coordinates,has disorder","234743","2020-10-21","18:00:00",""
"7702094","14.306","0.004","5.8675","0.0013","7.407","0.004","90","","101.04","0.03","90","","610.2","0.4","","","300","","","","100","","","","","4","P 1 21/c 1","-P 2ybc","14","Iodosobenzene","Iodosylbenzene","","- C6 H5 I O -","- C6 H5 I O -","- C24 H20 I4 O4 -","4","1","","Wegeberg, Christina; Frankær, Christian Grundahl; McKenzie, Christine J.","Reduction of hypervalent iodine by coordination to iron(iii) and the crystal structures of PhIO and PhIO<sub>2</sub>.","Dalton transactions (Cambridge, England : 2003)","2016","45","44","17714","17722","10.1039/c6dt02937j","powder diffraction","x-ray","1.54051","Kα~1,2~","","","","","","0.10058","","0.14546","","7.279","","","","","","","has coordinates","234749","2020-10-21","18:00:00",""
"7702095","23.1413","0.0015","23.1413","","6.4155","0.0002","90","","90","","120","","2975.3","0.2","","","300","","","","100","","","","","4","R 3 c :H","R 3 -2""c","161","","Iodylbenzene","","- C6 H5 I O2 -","- C6 H5 I O2 -","- C108 H90 I18 O36 -","18","1","","Wegeberg, Christina; Frankær, Christian Grundahl; McKenzie, Christine J.","Reduction of hypervalent iodine by coordination to iron(iii) and the crystal structures of PhIO and PhIO<sub>2</sub>.","Dalton transactions (Cambridge, England : 2003)","2016","45","44","17714","17722","10.1039/c6dt02937j","powder diffraction","x-ray","1.54051","Kα~1,2~","","","","","","0.09728","","0.36267","","8.224","","","","","","","has coordinates","234749","2020-10-21","18:00:00",""
"7702096","10.685","0.0005","12.3759","0.0005","14.1909","0.0007","90","","106.821","0.005","90","","1796.26","0.15","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C32 H32 Cl4 Nb2 Se6 -","- C32 H32 Cl4 Nb2 Se6 -","- C64 H64 Cl8 Nb4 Se12 -","2","0.5","","Chang, Yao-Pang; Levason, William; Light, Mark E.; Reid, Gillian","Niobium tetrachloride complexes with thio-, seleno- and telluro-ether coordination - synthesis and structures.","Dalton transactions (Cambridge, England : 2003)","2016","45","41","16262","16274","10.1039/c6dt02979e","","x-ray","0.71073","MoKα","","0.0854","0.0498","","","0.0939","0.1052","","","","","","1.017","","","","has coordinates","234753","2020-10-21","18:00:00",""
"7702097","6.4589","0.0002","10.1598","0.0004","13.1644","0.0005","90","","94.499","0.004","90","","861.2","0.05","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C4 H12 Cl8 Nb2 S2 -","- C4 H12 Cl8 Nb2 S2 -","- C8 H24 Cl16 Nb4 S4 -","2","0.5","","Chang, Yao-Pang; Levason, William; Light, Mark E.; Reid, Gillian","Niobium tetrachloride complexes with thio-, seleno- and telluro-ether coordination - synthesis and structures.","Dalton transactions (Cambridge, England : 2003)","2016","45","41","16262","16274","10.1039/c6dt02979e","","","0.71073","MoKα","","0.0233","0.0205","","","0.0509","0.0521","","","","","","1.03","","","","has coordinates","234753","2020-10-21","18:00:00",""
"7702098","10.4725","0.0008","7.2592","0.0005","22.5009","0.0012","90","","90","","90","","1710.6","0.2","100","2","100","2","","","","","","","","5","C m c e","-C 2ac 2","64","","","","- C4 H12 Cl8 Nb2 Se2 -","- C4 H12 Cl8 Nb2 Se2 -","- C16 H48 Cl32 Nb8 Se8 -","4","0.25","","Chang, Yao-Pang; Levason, William; Light, Mark E.; Reid, Gillian","Niobium tetrachloride complexes with thio-, seleno- and telluro-ether coordination - synthesis and structures.","Dalton transactions (Cambridge, England : 2003)","2016","45","41","16262","16274","10.1039/c6dt02979e","","","0.71073","MoKα","","0.0391","0.0291","","","0.0603","0.0638","","","","","","1.089","","","","has coordinates","234753","2020-10-21","18:00:00",""
"7702099","10.4835","0.0001","10.4835","0.0001","12.0612","0.0002","90","","90","","90","","1325.57","0.03","100","2","100","2","","","","","","","","5","P 42 21 2","P 4n 2n","94","","","","- C8 H24 Cl8 Nb2 Te4 -","- C8 H24 Cl8 Nb2 Te4 -","- C16 H48 Cl16 Nb4 Te8 -","2","0.25","","Chang, Yao-Pang; Levason, William; Light, Mark E.; Reid, Gillian","Niobium tetrachloride complexes with thio-, seleno- and telluro-ether coordination - synthesis and structures.","Dalton transactions (Cambridge, England : 2003)","2016","45","41","16262","16274","10.1039/c6dt02979e","","","0.71073","MoKα","","0.012","0.0119","","","0.0295","0.0295","","","","","","1.081","","","","has coordinates","234753","2020-10-21","18:00:00",""
"7702100","9.141","0.0004","9.141","0.0004","20.5742","0.0018","90","","90","","90","","1719.14","0.18","100","2","100","2","","","","","","","","5","P 43 21 2","P 4nw 2abw","96","","","","- C8 H20 Cl4 Nb S4 -","- C8 H20 Cl4 Nb S4 -","- C32 H80 Cl16 Nb4 S16 -","4","0.5","","Chang, Yao-Pang; Levason, William; Light, Mark E.; Reid, Gillian","Niobium tetrachloride complexes with thio-, seleno- and telluro-ether coordination - synthesis and structures.","Dalton transactions (Cambridge, England : 2003)","2016","45","41","16262","16274","10.1039/c6dt02979e","","","0.71073","MoKα","","0.0326","0.0266","","","0.0558","0.0577","","","","","","1.038","","","","has coordinates","234753","2020-10-21","18:00:00",""
"7702101","8.7424","0.0004","9.2175","0.0003","19.6381","0.0009","90","","98.649","0.004","90","","1564.5","0.11","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C8 H18 Cl4 Nb S2 -","- C8 H18 Cl4 Nb S2 -","- C32 H72 Cl16 Nb4 S8 -","4","1","","Chang, Yao-Pang; Levason, William; Light, Mark E.; Reid, Gillian","Niobium tetrachloride complexes with thio-, seleno- and telluro-ether coordination - synthesis and structures.","Dalton transactions (Cambridge, England : 2003)","2016","45","41","16262","16274","10.1039/c6dt02979e","","","0.71073","MoKα","","0.1053","0.0614","","","0.1221","0.1403","","","","","","1.034","","","","has coordinates","234753","2020-10-21","18:00:00",""
"7702102","9.964","0.003","9.964","0.003","25.113","0.012","90","","90","","90","","2493.3","1.6","100","2","100","2","","","","","","","","5","I -4 2 d","I -4 2bw","122","","","","- C5 H12 Cl4 Nb S2 -","- C5 H12 Cl4 Nb S2 -","- C40 H96 Cl32 Nb8 S16 -","8","0.5","","Chang, Yao-Pang; Levason, William; Light, Mark E.; Reid, Gillian","Niobium tetrachloride complexes with thio-, seleno- and telluro-ether coordination - synthesis and structures.","Dalton transactions (Cambridge, England : 2003)","2016","45","41","16262","16274","10.1039/c6dt02979e","","","0.71073","MoKα","","0.0821","0.0521","","","0.1205","0.1338","","","","","","1.038","","","","has coordinates","234753","2020-10-21","18:00:00",""
"7702103","7.2443","0.0003","11.2723","0.0004","7.9616","0.0003","90","","116.177","0.005","90","","583.46","0.05","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C4 H10 Cl4 Nb S2 -","- C4 H10 Cl4 Nb S2 -","- C8 H20 Cl8 Nb2 S4 -","2","1","","Chang, Yao-Pang; Levason, William; Light, Mark E.; Reid, Gillian","Niobium tetrachloride complexes with thio-, seleno- and telluro-ether coordination - synthesis and structures.","Dalton transactions (Cambridge, England : 2003)","2016","45","41","16262","16274","10.1039/c6dt02979e","","","0.71073","MoKα","","0.0178","0.0177","","","0.045","0.0452","","","","","","1.044","","","","has coordinates","234753","2020-10-21","18:00:00",""
"7702104","9.9381","0.0002","9.9381","0.0002","26.2651","0.0011","90","","90","","90","","2594.09","0.13","100","2","100","2","","","","","","","","5","I 41/a :2","-I 4ad","88","","","","- C5 H12 Cl4 Nb Se2 -","- C5 H12 Cl4 Nb Se2 -","- C40 H96 Cl32 Nb8 Se16 -","8","0.5","","Chang, Yao-Pang; Levason, William; Light, Mark E.; Reid, Gillian","Niobium tetrachloride complexes with thio-, seleno- and telluro-ether coordination - synthesis and structures.","Dalton transactions (Cambridge, England : 2003)","2016","45","41","16262","16274","10.1039/c6dt02979e","","","0.71073","MoKα","","0.0302","0.0281","","","0.0689","0.0697","","","","","","1.049","","","","has coordinates","234753","2020-10-21","18:00:00",""
"7702105","19.407","0.009","12.502","0.006","7.084","0.003","90","","90","","90","","1718.8","1.4","100","2","100","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C12 H18 Cl4 Nb S2 -","- C12 H18 Cl4 Nb S2 -","- C48 H72 Cl16 Nb4 S8 -","4","0.5","","Chang, Yao-Pang; Levason, William; Light, Mark E.; Reid, Gillian","Niobium tetrachloride complexes with thio-, seleno- and telluro-ether coordination - synthesis and structures.","Dalton transactions (Cambridge, England : 2003)","2016","45","41","16262","16274","10.1039/c6dt02979e","","","0.71073","MoKα","","0.0486","0.0328","","","0.0681","0.0738","","","","","","1.03","","","","has coordinates","234753","2020-10-21","18:00:00",""
"7702106","14.3522","0.0011","14.9254","0.0007","7.9099","0.0005","90","","97.049","0.007","90","","1681.59","0.19","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C2 H6 Cl3 Nb O S -","- C2 H6 Cl3 Nb O S -","- C16 H48 Cl24 Nb8 O8 S8 -","8","2","","Chang, Yao-Pang; Levason, William; Light, Mark E.; Reid, Gillian","Niobium tetrachloride complexes with thio-, seleno- and telluro-ether coordination - synthesis and structures.","Dalton transactions (Cambridge, England : 2003)","2016","45","41","16262","16274","10.1039/c6dt02979e","","","0.71073","MoKα","","0.0743","0.0409","","","0.0694","0.08","","","","","","1.027","","","","has coordinates","234753","2020-10-21","18:00:00",""
"7702107","6.7898","0.0003","6.9745","0.0003","7.2523","0.0004","108.917","0.004","99.404","0.004","113.677","0.004","279.93","0.03","100","2","100","2","","","","","","","","6","P 1","P 1","1","","","","- C4 H10 Cl3 Nb O S2 -","- C4 H10 Cl3 Nb O S2 -","- C4 H10 Cl3 Nb O S2 -","1","1","","Chang, Yao-Pang; Levason, William; Light, Mark E.; Reid, Gillian","Niobium tetrachloride complexes with thio-, seleno- and telluro-ether coordination - synthesis and structures.","Dalton transactions (Cambridge, England : 2003)","2016","45","41","16262","16274","10.1039/c6dt02979e","","","0.71073","MoKα","","0.0266","0.0252","","","0.0624","0.0628","","","","","","1.072","","","","has coordinates","234753","2020-10-21","18:00:00",""
"7702108","9.3739","0.0019","7.5698","0.0015","15.028","0.003","90","","90","","90","","1066.4","0.4","200","2","200","2","","","","","","","","3","P n m a","-P 2ac 2n","62","","[PBr4][IBr2]","","- Br6 I P -","- Br6 I P -","- Br24 I4 P4 -","4","0.5","","Hausmann, David; Köppe, Ralf; Wolf, Silke; Roesky, Peter W.; Feldmann, Claus","Ionic-liquid-assisted synthesis of the phosphorus interhalides [PBr<sub>4</sub>][IBr<sub>2</sub>] and [PBr<sub>4</sub>][I<sub>5</sub>Br<sub>7</sub>].","Dalton transactions (Cambridge, England : 2003)","2016","45","41","16526","16532","10.1039/c6dt03303b","","","0.71073","MoKα","","0.0539","0.0469","","","0.1317","0.1373","","","","","","1.128","","","","has coordinates","234756","2020-10-21","18:00:00",""
"7702109","9.2316","0.0018","9.5736","0.0019","9.6641","0.0019","91.12","0.03","92.47","0.03","111.88","0.03","791.3","0.3","200","2","200","2","","","","","","","","3","P -1","-P 1","2","","[PBr4]2[I5Br7]","","- Br15 I5 P2 -","- Br15 I5 P2 -","- Br15 I5 P2 -","1","0.5","","Hausmann, David; Köppe, Ralf; Wolf, Silke; Roesky, Peter W.; Feldmann, Claus","Ionic-liquid-assisted synthesis of the phosphorus interhalides [PBr<sub>4</sub>][IBr<sub>2</sub>] and [PBr<sub>4</sub>][I<sub>5</sub>Br<sub>7</sub>].","Dalton transactions (Cambridge, England : 2003)","2016","45","41","16526","16532","10.1039/c6dt03303b","","","0.71073","MoKα","","0.0575","0.0497","","","0.1228","0.1262","","","","","","0.979","","","","has coordinates","234756","2020-10-21","18:00:00",""
"7702110","10.8775","0.0004","12.9198","0.0004","7.1307","0.0003","90","","103.352","0.004","90","","975.03","0.06","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C8 H6 Cl Eu O5 -","- C8 H6 Cl Eu O5 -","- C32 H24 Cl4 Eu4 O20 -","4","1","","Feng, Hui-Jun; Xu, Ling; Liu, Bing; Jiao, Huan","Europium metal-organic frameworks as recyclable and selective turn-off fluorescent sensors for aniline detection.","Dalton transactions (Cambridge, England : 2003)","2016","45","43","17392","17400","10.1039/c6dt03358j","","","0.71073","MoKα","","0.023","0.0206","","","0.0555","0.0571","","","","","","1.032","","","","has coordinates","234759","2020-10-21","18:00:00",""
"7702111","13.0533","0.0004","13.1471","0.0003","14.0537","0.0004","90","","104.088","0.003","90","","2339.26","0.12","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C22 H19 Cl Eu N2 O8 -","- C22 H19 Cl Eu N2 O8 -","- C88 H76 Cl4 Eu4 N8 O32 -","4","1","","Feng, Hui-Jun; Xu, Ling; Liu, Bing; Jiao, Huan","Europium metal-organic frameworks as recyclable and selective turn-off fluorescent sensors for aniline detection.","Dalton transactions (Cambridge, England : 2003)","2016","45","43","17392","17400","10.1039/c6dt03358j","","","0.71073","MoKα","","0.0572","0.0436","","","0.1149","0.1264","","","","","","1.0352","","","","has coordinates","234759","2020-10-21","18:00:00",""
"7702112","10.6681","0.0005","12.9245","0.0005","6.8298","0.0005","90","","95.245","0.005","90","","937.75","0.09","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C9 H5 Eu O6 -","- C9 H5 Eu O6 -","- C36 H20 Eu4 O24 -","4","1","","Feng, Hui-Jun; Xu, Ling; Liu, Bing; Jiao, Huan","Europium metal-organic frameworks as recyclable and selective turn-off fluorescent sensors for aniline detection.","Dalton transactions (Cambridge, England : 2003)","2016","45","43","17392","17400","10.1039/c6dt03358j","","","0.71073","MoKα","","0.0524","0.0483","","","0.1185","0.1227","","","","","","1.0283","","","","has coordinates","234759","2020-10-21","18:00:00",""
"7702113","12.0317","0.0003","19.515","0.0005","17.2834","0.0004","90","","122.332","0.002","90","","3428.96","0.16","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C31 H25 Cl Eu2 N2 O12 -","- C31 H25 Cl Eu2 N2 O12 -","- C124 H100 Cl4 Eu8 N8 O48 -","4","1","","Feng, Hui-Jun; Xu, Ling; Liu, Bing; Jiao, Huan","Europium metal-organic frameworks as recyclable and selective turn-off fluorescent sensors for aniline detection.","Dalton transactions (Cambridge, England : 2003)","2016","45","43","17392","17400","10.1039/c6dt03358j","","","0.71073","MoKα","","0.0313","0.0253","","","0.0605","0.0644","","","","","","1.074","","","","has coordinates","234759","2020-10-21","18:00:00",""
"7702114","18.1011","0.0008","19.3828","0.0008","10.2749","0.0004","90","","90","","90","","3604.9","0.3","293","2","293","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C32 H28 Cl Eu3 O22 -","- C32 H28 Cl Eu3 O22 -","- C128 H112 Cl4 Eu12 O88 -","4","0.5","","Feng, Hui-Jun; Xu, Ling; Liu, Bing; Jiao, Huan","Europium metal-organic frameworks as recyclable and selective turn-off fluorescent sensors for aniline detection.","Dalton transactions (Cambridge, England : 2003)","2016","45","43","17392","17400","10.1039/c6dt03358j","","","0.71073","MoKα","","0.0573","0.053","","","0.1603","0.1641","","","","","","1.041","","","","has coordinates,has disorder","234759","2020-10-21","18:00:00",""
"7702115","8.0451","0.0005","21.3785","0.0012","18.3326","0.001","90","","90.035","0.005","90","","3153.1","0.3","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C30 H13 Cl Eu2 N2 O12 -","- C30 H13 Cl Eu2 N2 O12 -","- C120 H52 Cl4 Eu8 N8 O48 -","4","1","","Feng, Hui-Jun; Xu, Ling; Liu, Bing; Jiao, Huan","Europium metal-organic frameworks as recyclable and selective turn-off fluorescent sensors for aniline detection.","Dalton transactions (Cambridge, England : 2003)","2016","45","43","17392","17400","10.1039/c6dt03358j","","","0.71073","MoKα","","0.0966","0.0792","","","0.2109","0.2252","","","","","","1.022","","","","has coordinates","234759","2020-10-21","18:00:00",""
"7702116","19.1758","0.0006","10.9867","0.0003","33.4105","0.0012","90","","103.273","0.003","90","","6850.9","0.4","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C32 H27 Cl Eu2 N2 O12 -","- C32 H27 Cl Eu2 N2 O12 -","- C256 H216 Cl8 Eu16 N16 O96 -","8","1","","Feng, Hui-Jun; Xu, Ling; Liu, Bing; Jiao, Huan","Europium metal-organic frameworks as recyclable and selective turn-off fluorescent sensors for aniline detection.","Dalton transactions (Cambridge, England : 2003)","2016","45","43","17392","17400","10.1039/c6dt03358j","","","0.71073","MoKα","","0.0414","0.0384","","","0.0805","0.0818","","","","","","1.071","","","","has coordinates","234759","2020-10-21","18:00:00",""
"8000227","10.73807","0.00019","18.8417","0.0003","27.9758","0.0005","90","","90","","90","","5660.16","0.17","123","","123","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C66 H78 O6 -","- C66 H78 O6 -","- C264 H312 O24 -","4","1","","Kosaka, Tomoyo; Inoue, Yoshihisa; Mori, Tadashi","Toroidal Interaction and Propeller Chirality of Hexaarylbenzenes. Dynamic Domino Inversion Revealed by Combined Experimental and Theoretical Circular Dichroism Studies.","The journal of physical chemistry letters","2016","7","5","783","788","10.1021/acs.jpclett.6b00179","","","1.54187","CuKα","","","0.0661","","","","0.1876","","","","","","1.055","","","","has coordinates","177426","2020-10-21","18:00:00",""
"8000228","14.5496","0.0009","25.3475","0.0014","10.4535","0.0007","90","","100.915","0.003","90","","3785.5","0.4","123","","123","","","","","","","","","3","C 1 c 1","C -2yc","9","","","","- C48 H42 O6 -","- C48 H42 O6 -","- C192 H168 O24 -","4","1","","Kosaka, Tomoyo; Inoue, Yoshihisa; Mori, Tadashi","Toroidal Interaction and Propeller Chirality of Hexaarylbenzenes. Dynamic Domino Inversion Revealed by Combined Experimental and Theoretical Circular Dichroism Studies.","The journal of physical chemistry letters","2016","7","5","783","788","10.1021/acs.jpclett.6b00179","","","1.54187","CuKα","","0.218","0.064","","","0.121","0.1767","","","","","","0.846","","","","has coordinates","177426","2020-10-21","18:00:00",""
"8000229","18.5264","0.001","17.9056","0.001","8.901","0.0005","90","","114.856","0.001","90","","2679.2","0.3","298","2","298","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","hexa-aqua-nickel(II) bis(1,3-diethyl-2-thiobarbiturate) dihydrate","","- C16 H38 N4 Ni O12 S2 -","- C16 H38 N4 Ni O12 S2 -","- C64 H152 N16 Ni4 O48 S8 -","4","0.5","","N.N. Golovnev; M.S. Molokeev; M.K. Lesnikov; V.V. Atuchin","First outer-sphere 1,3-diethyl-2-thiobarbituric compounds [M(H2O)6](1,3-diethyl-2-thiobarbiturate)2*2H2O (M = Co2+, Ni2+): crystal structure, spectroscopic and thermal properties.","Chemical Physics Letters","2016","653","0","54","59","10.1016/j.cplett.2016.04.059","","","0.71073","MoKα","","0.0447","0.0328","","","0.084","0.0895","","","","","","1.034","","","","has coordinates,has Fobs","182260","2020-10-21","18:00:00",""
"8000230","18.5729","0.0013","18.0013","0.0012","8.8812","0.0006","90","","114.882","0.001","90","","2693.7","0.3","298","2","298","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","hexa-aqua-cobalt(II) bis(1,3-diethyl-2-thiobarbiturate) dihydrate","","- C16 H38 Co N4 O12 S2 -","- C16 H38 Co N4 O12 S2 -","- C64 H152 Co4 N16 O48 S8 -","4","0.5","","N.N. Golovnev; M.S. Molokeev; M.K. Lesnikov; V.V. Atuchin","First outer-sphere 1,3-diethyl-2-thiobarbituric compounds [M(H2O)6](1,3-diethyl-2-thiobarbiturate)2*2H2O (M = Co2+, Ni2+): crystal structure, spectroscopic and thermal properties.","Chemical Physics Letters","2016","653","0","54","59","10.1016/j.cplett.2016.04.059","","","0.71073","MoKα","","0.0531","0.0344","","","0.0801","0.0895","","","","","","1.027","","","","has coordinates,has Fobs","182261","2020-10-21","18:00:00",""
"8000231","22.9575","0.0012","13.5678","0.0007","10.0581","0.0005","90","","90","","90","","3132.9","0.3","90","","90","","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C37 H39 N2 O2 -","- C37 H39 N2 O2 -","- C148 H156 N8 O8 -","4","1","","Kobayashi, Yoichi; Shima, Kentaro; Mutoh, Katsuya; Abe, Jiro","Fast Photochromism Involving Thermally-Activated Valence Isomerization of Phenoxyl-Imidazolyl Radical Complex Derivatives.","The journal of physical chemistry letters","2016","7","16","3067","3072","10.1021/acs.jpclett.6b01271","","","0.71073","MoKα","","0.0553","0.0486","","","0.1231","0.128","","","","","","0.99","","","","has coordinates,has disorder","186255","2020-10-21","18:00:00",""
"8000232","14.2277","0.0006","17.004","0.0009","17.1275","0.0006","95.533","0.002","91.1547","0.0014","104.605","0.002","3986.8","0.3","90","2","90","2","","","","","","","","4","P -1","-P 1","2","","","","- C51 H51.42 N2 O -","- C51 H51.4255 N2 O -","- C204 H205.702 N8 O4 -","4","2","","Kobayashi, Yoichi; Shima, Kentaro; Mutoh, Katsuya; Abe, Jiro","Fast Photochromism Involving Thermally-Activated Valence Isomerization of Phenoxyl-Imidazolyl Radical Complex Derivatives.","The journal of physical chemistry letters","2016","7","16","3067","3072","10.1021/acs.jpclett.6b01271","","","0.71073","MoKα","","0.0875","0.0609","","","0.1584","0.178","","","","","","1.03","","","","has coordinates,has disorder","186255","2020-10-21","18:00:00",""
"8000233","8.8117","0.0008","8.8117","0.0008","12.674","0.002","90","","90","","90","","984.1","0.2","180","2","180","2","","","","","","","","3","I 4/m c m","-I 4 2c","140","","","","- I6 N8 Pb2 -","- I6 N8 Pb2 -","- I12 N16 Pb4 -","2","0.0625","","G, Sharada; Mahale, Pratibha; Kore, Bhushan P.; Mukherjee, Somdutta; Pavan, Mysore S.; De, Chandan; Ghara, Somnath; Sundaresan, A.; Pandey, Anshu; Guru Row, Tayur N.; Sarma, D. D.","Is CH3NH3PbI3 Polar?","The journal of physical chemistry letters","2016","7","13","2412","2419","10.1021/acs.jpclett.6b00803","","","0.71073","MoKα","","0.0684","0.0612","","","0.1898","0.1962","","","","","","0.972","","","","has coordinates","211175","2020-10-21","18:00:00",""
"8000234","8.8767","0.0009","12.64","0.0014","8.5879","0.001","90","","90","","90","","963.58","0.18","100","2","100","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C H6 I3 N Pb -","- C H6 I3 N Pb -","- C4 H24 I12 N4 Pb4 -","4","0.5","","G, Sharada; Mahale, Pratibha; Kore, Bhushan P.; Mukherjee, Somdutta; Pavan, Mysore S.; De, Chandan; Ghara, Somnath; Sundaresan, A.; Pandey, Anshu; Guru Row, Tayur N.; Sarma, D. D.","Is CH3NH3PbI3 Polar?","The journal of physical chemistry letters","2016","7","13","2412","2419","10.1021/acs.jpclett.6b00803","","","0.71073","MoKα","","0.0918","0.0688","","","0.2354","0.2437","","","","","","1.068","","","","has coordinates","211175","2020-10-21","18:00:00",""
"8000349","6.6764","0.001","13.184","0.003","17.361","0.003","73.665","0.009","83.571","0.01","83.54","0.01","1452","0.5","383","2","383","2","","","","","","","","3","P -1","-P 1","2","","","","- C60 H86 O6 -","- C60 H86 O6 -","- C60 H86 O6 -","1","0.5","","Roy, Syamantak; Hazra, Arpan; Bandyopadhyay, Arkamita; Raut, Devraj; Madhuri, P. Lakshmi; Rao, D. S. Shankar; Ramamurty, Upadrasta; Pati, Swapan Kumar; Krishna Prasad, S.; Maji, Tapas Kumar","Reversible Polymorphism, Liquid Crystallinity, and Stimuli-Responsive Luminescence in a Bola-amphiphilic π-System: Structure-Property Correlations Through Nanoindentation and DFT Calculations.","The journal of physical chemistry letters","2016","7","20","4086","4092","10.1021/acs.jpclett.6b01891","","","0.71073","MoKα","","0.4051","0.137","","","0.2264","0.3438","","","","","","1.018","","","","has coordinates","236642","2020-10-21","18:00:00",""
"8000350","7.1245","0.0003","12.6264","0.0006","16.7681","0.001","101.132","0.002","101.941","0.002","103.882","0.002","1385.09","0.12","298","2","298","2","","","","","","","","3","P -1","-P 1","2","","","","- C60 H86 O6 -","- C60 H86 O6 -","- C60 H86 O6 -","1","0.5","","Roy, Syamantak; Hazra, Arpan; Bandyopadhyay, Arkamita; Raut, Devraj; Madhuri, P. Lakshmi; Rao, D. S. Shankar; Ramamurty, Upadrasta; Pati, Swapan Kumar; Krishna Prasad, S.; Maji, Tapas Kumar","Reversible Polymorphism, Liquid Crystallinity, and Stimuli-Responsive Luminescence in a Bola-amphiphilic π-System: Structure-Property Correlations Through Nanoindentation and DFT Calculations.","The journal of physical chemistry letters","2016","7","20","4086","4092","10.1021/acs.jpclett.6b01891","","","0.71073","MoKα","","0.1568","0.0668","","","0.1798","0.2436","","","","","","1.017","","","","has coordinates","236643","2020-10-21","18:00:00",""
"8000351","5.6873","0.0004","11.0563","0.0009","21.3282","0.0017","76.848","0.002","83.218","0.002","89.785","0.003","1296.44","0.17","110","2","110","2","","","","","","","","3","P -1","-P 1","2","","","","- C60 H86 O6 -","- C60 H86 O6 -","- C60 H86 O6 -","1","0.5","","Roy, Syamantak; Hazra, Arpan; Bandyopadhyay, Arkamita; Raut, Devraj; Madhuri, P. Lakshmi; Rao, D. S. Shankar; Ramamurty, Upadrasta; Pati, Swapan Kumar; Krishna Prasad, S.; Maji, Tapas Kumar","Reversible Polymorphism, Liquid Crystallinity, and Stimuli-Responsive Luminescence in a Bola-amphiphilic π-System: Structure-Property Correlations Through Nanoindentation and DFT Calculations.","The journal of physical chemistry letters","2016","7","20","4086","4092","10.1021/acs.jpclett.6b01891","","","0.71073","MoKα","","0.0985","0.0542","","","0.1465","0.2084","","","","","","1.067","","","","has coordinates","236645","2020-10-21","18:00:00",""
"8000352","8.1868","0.0007","8.2071","0.0007","29.482","0.003","84.999","0.007","84.042","0.006","63.879","0.005","1767.1","0.3","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C31 H51 B Cl Co N9 O3 -","- C31 H51 B Cl Co N9 O3 -","- C62 H102 B2 Cl2 Co2 N18 O6 -","2","1","","Pavlov, Alexander A.; Nelyubina, Yulia V.; Kats, Svitlana V.; Penkova, Larysa V.; Efimov, Nikolay N.; Dmitrienko, Artem O.; Vologzhanina, Anna V.; Belov, Alexander S.; Voloshin, Yan Z.; Novikov, Valentin V.","Polymorphism in a Cobalt-Based Single-Ion Magnet Tuning Its Barrier to Magnetization Relaxation.","The journal of physical chemistry letters","2016","7","20","4111","4116","10.1021/acs.jpclett.6b02091","","","1.54178","CuKα","","0.1516","0.1451","","","0.3514","0.3567","","","","","","2.465","","","","has coordinates","236647","2020-10-21","18:00:00",""
"8000353","32.44","0.007","8.0312","0.0016","13.936","0.003","90","","90.734","0.004","90","","3630.5","1.3","150","2","150","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C31 H51 B Cl Co N9 O3 -","- C31 H51 B Cl Co N9 O3 -","- C124 H204 B4 Cl4 Co4 N36 O12 -","4","1","","Pavlov, Alexander A.; Nelyubina, Yulia V.; Kats, Svitlana V.; Penkova, Larysa V.; Efimov, Nikolay N.; Dmitrienko, Artem O.; Vologzhanina, Anna V.; Belov, Alexander S.; Voloshin, Yan Z.; Novikov, Valentin V.","Polymorphism in a Cobalt-Based Single-Ion Magnet Tuning Its Barrier to Magnetization Relaxation.","The journal of physical chemistry letters","2016","7","20","4111","4116","10.1021/acs.jpclett.6b02091","","","0.71073","MoKα","","0.0989","0.0753","","","0.1816","0.1975","","","","","","1.012","","","","has coordinates","236648","2020-10-21","18:00:00",""
"8000354","4.266","0.005","13.533","0.005","19.669","0.005","90","0.005","90","0.005","90","0.005","1135.5","1.4","296","2","296","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C16 H9 Br -","- C16 H9 Br -","- C64 H36 Br4 -","4","1","","Philip, Abbey M.; Mallia, Ajith R.; Hariharan, Mahesh","Prolonged Charge Separated States in Twisted Stacks of All-Carbon Donor and Acceptor Chromophores.","The journal of physical chemistry letters","2016","7","22","4751","4756","10.1021/acs.jpclett.6b02310","","","0.71073","MoKα","","0.0591","0.0379","","","0.0744","0.0851","","","","","","1.1","","","","has coordinates","236650","2020-10-21","18:00:00",""
"8000355","30.4984","0.0011","3.9613","0.0002","16.2415","0.0006","90","","92.412","0.003","90","","1960.45","0.14","296","2","296","2","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","","","","- C32 H18 -","- C32 H18 -","- C128 H72 -","4","1","","Philip, Abbey M.; Mallia, Ajith R.; Hariharan, Mahesh","Prolonged Charge Separated States in Twisted Stacks of All-Carbon Donor and Acceptor Chromophores.","The journal of physical chemistry letters","2016","7","22","4751","4756","10.1021/acs.jpclett.6b02310","","","0.71073","MoKα","","0.1065","0.0489","","","0.1106","0.1373","","","","","","1.011","","","","has coordinates","236650","2020-10-21","18:00:00",""
"8104524","25.92153","0.0002","15.6783","0.0001","6.74948","0.000048","90","","90","","90","","2743.03","0.03","300","","300","","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","[Au(MAOx)(PPh3)]","[(2-Anthracenoxazolthiolato)(triphenylphosphine)gold(I)]","","- C33 H23 Au N O P S -","- C33 H23 Au N O P S -","- C132 H92 Au4 N4 O4 P4 S4 -","4","1","","Christoph Partes; Bodach, Alexander; Fink, Lothar","Syntheses and structures of two [Au(I)PPh3]-complexes with 2-aceneoxazolethiolates as ligands","Zeitschrift für Kristallographie","2016","231","12","709","714","","powder diffraction","","1.5406","CuKα~1~","","","","","","","","","0.01288","1.389","","","","","","","has coordinates","205493","2020-10-21","18:00:00",""
"8104525","13.42872","0.000087","10.97719","0.000088","9.00771","0.000073","80.9303","0.00071","112.011","0.00066","113.876","0.00065","1125.67","0.017","300","","300","","","","","","","","","7","P -1","-P 1","2","[Au(MBOx)(PPh3)]","[(2-Benzoxazolthiolato)(triphenylphosphine)gold(I)]","","- C25 H19 Au N O P S -","- C25 H19 Au N O P S -","- C50 H38 Au2 N2 O2 P2 S2 -","2","1","","Christoph Partes; Bodach, Alexander; Fink, Lothar","Syntheses and structures of two [Au(I)PPh3]-complexes with 2-aceneoxazolethiolates as ligands","Zeitschrift für Kristallographie","2016","231","12","709","714","","powder diffraction","","1.5406","CuKα~1~","","","","","","","","","0.01741","1.696","","","","","","","has coordinates","205493","2020-10-21","18:00:00",""
"8106768","7.945","0.0004","21.0079","0.001","8.5285","0.0003","90","","101.24","0.002","90","","1396.17","0.11","200","2","200","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","<i>rac</i>)-4,4,4-trifluoro-3-hydroxy-3-methylbutanoic acid","<i>rac</i>)-4,4,4-trifluoro-3-hydroxy-3-methylbutanoic acid","","- C5 H7 F3 O3 -","- C5.00135 H7 F3 O3.00135 -","- C40.0108 H56 F24 O24.0108 -","8","2","","Sephton, Bereneice; Sephton, Abigail; Hickson, Matthew; Dugmore, Travis; Betz, Richard","Crystal structure of rac-4,4,4-trifluoro-3-hydroxy-3-methylbutanoic acid, C5H7O2F3","Zeitschrift für Kristallographie - New Crystal Structures","2016","231","1","1","3","10.1515/ncrs-2014-8193","","","0.71073","MoKα","","0.0461","0.0374","","","0.095","0.1005","","","","","","1.035","","","","has coordinates,has disorder","280872","2023-02-13","09:39:32",""
"8106769","32.6674","0.0008","6.0061","0.0002","23.2786","0.0006","90","","103.368","0.002","90","","4443.6","0.2","298","2","298","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C12 H14 O4 -","- C12 H14 O4 -","- C192 H224 O64 -","16","2","","Yuan, Xian-You; Jia, Guo-Kai; Zhang, Min; Yuan, Lin","Crystal structure of 5-methyl-2-phenyl-1,3-dioxane-5-carboxylic acid, C12H14O4","Zeitschrift für Kristallographie - New Crystal Structures","2016","231","1","5","7","10.1515/ncrs-2014-9009","","","0.71073","MoKα","","0.0623","0.0459","","","0.1412","0.1711","","","","","","1.094","","","","has coordinates","280873","2023-02-13","09:42:28",""
"8106770","12.582","0.004","14.79","0.005","21.406","0.008","90","","92.572","0.013","90","","3979","2","298","1","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","ethyl 2-(2-(2-(4-chlorophenyl)-3-methylbutanamido)thiazol-4-yl)acetate","","- C18 H21 Cl N2 O3 S -","- C18 H21 Cl N2 O3 S -","- C144 H168 Cl8 N16 O24 S8 -","8","2","","Wang, Zong-Cheng; Zhao, Jin-Hao; Cheng, Jing-Li; Jiang, Hong-Yu; Liu, Xiao-Wen","Crystal structure of ethyl 2-(2-(2-(4-chlorophenyl)-3-methylbutanamido)thiazol-4-yl)acetate, C18H21ClN2O3S","Zeitschrift für Kristallographie - New Crystal Structures","2016","231","1","9","11","10.1515/ncrs-2014-9011","","","0.71075","MoKα","","","0.0464","","","","0.1298","","","","","","1.001","","","","has coordinates","280874","2023-02-13","09:53:43",""
"8106771","30.732","0.002","30.732","0.002","18.6315","0.0015","90","","90","","120","","15239.1","1.9","293","2","293","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- C36 H42 N8 O3 -","- C36 H40 N8 O3 -","- C648 H720 N144 O54 -","18","1","","Zhang, Hui; Cao, Xin; Zhang, Bingguang; Liu, Yuhai","The crystal structure of (4E,11E,31E,38E)-1,4,12,15,18,26,31,39-Octaaza-7,21,24-trihydroxy-penta-cyclo[13·13·13·16,10·120,24·133,37]tetratetraconta-4,6(44),7,9,11,18,20(43),21,23,25,31,33(42),34,36,38-pentadecaene, C36H42N8O3","Zeitschrift für Kristallographie - New Crystal Structures","2016","231","1","13","15","10.1515/ncrs-2014-9044","","","0.71073","MoKα","","0.1102","0.0447","","","0.1126","0.1315","","","","","","0.815","","","","has coordinates,has disorder","280875","2023-02-13","09:58:11",""
"8106772","7.3343","0.0002","42.2275","0.0012","7.5118","0.0002","90","","100.988","0.003","90","","2283.82","0.11","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H16 Co2 N3 O11 -","- C24 H16 Co2 N3 O11 -","- C96 H64 Co8 N12 O44 -","4","1","","Yao, Li-Ping; Zhao, Yan","Crystal structure of poly[diaqua-μ5-4-(3,5-dicarboxylato-κ 3 O 1:O 2:O 3-phenoxy)phthalato-κ 3 O 5,O 7:O 8)(μ2-4-(1H-pyrazol-5-yl)pyridine-κ 2 N:N′)dicobalt(II)] C24H16N3O11Co2","Zeitschrift für Kristallographie - New Crystal Structures","2016","231","1","17","19","10.1515/ncrs-2014-9051","","","1.54178","CuKα","","0.0436","0.0365","","","0.104","0.1142","","","","","","1.176","","","","has coordinates","280876","2023-02-13","10:02:58",""
"8106773","8.9287","0.0007","15.0252","0.0012","18.4531","0.0014","90","","90","","90","","2475.6","0.3","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C27 H23 N O3 Sn -","- C27 H23 N O3 Sn -","- C108 H92 N4 O12 Sn4 -","4","1","","Wang, Qi-Bao; Ding, Rui-Fang; Sun, Shan-Shan; Ding, Lin","Crystal structure of catena-poly[(μ2-acetamido-benzoato-κ2 O:O′)triphenyltin(IV)], C27H23NO3Sn","Zeitschrift für Kristallographie - New Crystal Structures","2016","231","1","21","23","10.1515/ncrs-2014-9058","","","0.71073","MoKα","","0.0368","0.0315","","","0.0823","0.0861","","","","","","1.025","","","","has coordinates","280878","2023-02-14","09:27:19",""
"8106774","8.7346","0.0003","15.2594","0.0005","13.9586","0.0006","90","","93.445","0.003","90","","1857.11","0.12","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C20 H20 Cl Fe N2 O2 -","- C20 H20 Cl Fe N2 O2 -","- C80 H80 Cl4 Fe4 N8 O8 -","4","2","","Chen, Xia; Xue, Chongchong; Zhang, Daopeng","Crystal structure of chlorido(2,2′-((1E,1′E)-(((1R,2R)-cyclohexane-1,2-diyl)bis(azanylylidene))bis(methylylidene))diphenolato-κ 4 N,N′,O,O′)iron(III), C20H20ClFeN2O2","Zeitschrift für Kristallographie - New Crystal Structures","2016","231","1","25","27","10.1515/ncrs-2014-9074","","","0.71073","MoKα","","0.0545","0.0425","","","0.0896","0.0988","","","","","","1.031","","","","has coordinates","280879","2023-02-14","09:30:00",""
"8106775","5.9172","0.0003","7.5758","0.0006","33.1334","0.0016","90","","93.666","0.005","90","","1482.25","0.16","180","0.1","180","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H17 Cl O -","- C18 H17 Cl O -","- C72 H68 Cl4 O4 -","4","1","","Dong, Meng-Ya; Mei, Xiang-Dong; Li, Yao-Fa; Zhang, Lan-Xiang; Pan, Wen-Liang; Gao, Zhan-Lin; Ning, Jun","Crystal structure of (E)-3-(4-tert-butyl)phenyl)-1-(3-chlorophenyl)prop-2-en-1-one, C18H17CIO","Zeitschrift für Kristallographie - New Crystal Structures","2016","231","1","29","30","10.1515/ncrs-2014-9076","","","0.7107","MoKα","","0.0682","0.0453","","","0.0985","0.1116","","","","","","1.049","","","","has coordinates","280880","2023-02-14","09:46:06",""
"8106776","17.567","0.002","13.1375","0.0017","13.4212","0.0017","90","","124.084","0.001","90","","2565.3","0.5","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","trans-1,2-bis(pyridinium-4-yl)ethylene-2-carboxy-4-methylbenzoate","","- C15 H16 N O4 -","- C15 H16 N O4 -","- C120 H128 N8 O32 -","8","1","","Jing, Liu; Min-Le, Han","Crystal structure of trans-1,2-bis(pyridinium-4-yl)ethylene–2-carboxy-4-methylbenzoate (1/2), C30H26N2O8","Zeitschrift für Kristallographie - New Crystal Structures","2016","231","1","31","33","10.1515/ncrs-2014-9081","","","0.71073","MoKα","","0.0629","0.0379","","","0.0744","0.0839","","","","","","1.154","","","","has coordinates","280881","2023-02-14","09:50:27",""
"8106777","7.4992","0.0006","8.289","0.0007","11.8236","0.001","101.604","0.001","106.54","0.001","98.931","0.001","672.25","0.1","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","catena-((μ5-Ethylenediamine-tetraacetato)-plumbum(ii)-zinc(ii) monohydrate)","","- C10 H14 N2 O9 Pb Zn -","- C10 H14 N2 O9 Pb Zn -","- C20 H28 N4 O18 Pb2 Zn2 -","2","1","","Zhang, Rong-Hua; Zhao, Dan; Ma, Fa-Xue","Crystal structure of poly[aqua-ethylenediamine-tetraacetatolead(II)zinc(II)]","Zeitschrift für Kristallographie - New Crystal Structures","2016","231","1","35","36","10.1515/ncrs-2014-9086","","","0.71073","MoKα","","0.0203","0.0188","","","0.0437","0.0442","","","","","","1.037","","","","has coordinates","280882","2023-02-14","09:53:18",""
"8106778","12.3339","0.0018","37.764","0.005","8.2077","0.0012","90","","109.053","0.002","90","","3613.5","0.9","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C32 H33 N11 O14 -","- C32 H33 N11 O14 -","- C128 H132 N44 O56 -","4","1","","Feng, Xun; Tian, Ai-Qin; Wang, Cai-Lu; Wang, Yang","Crystal structure of (E)-2-((2-(2,4-dinitrophenyl)hydrazono)methyl)-4-nitrophenol — triethylamine (2/1), C32H33N11O14","Zeitschrift für Kristallographie - New Crystal Structures","2016","231","1","37","39","10.1515/ncrs-2014-9087","","","0.71073","MoKα","","0.1816","0.0622","","","0.1266","0.1781","","","","","","0.962","","","","has coordinates","280883","2023-02-14","09:56:02",""
"8106779","6.9812","0.0009","8.6834","0.0011","11.5157","0.0015","86.649","0.001","88.686","0.001","85.008","0.001","694.14","0.15","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","catena-poly[diaqua-bis(μ~2~-5-carboxy-2-(pyridin-4-yl)benzoato-κ^2^<i>O</i>:<i>N</i>)cadmium(II)] dihydrate","","- C26 H24 Cd N2 O12 -","- C26 H24 Cd N2 O12 -","- C26 H24 Cd N2 O12 -","1","0.5","","Zhao, Yan; Guo, Dai-Jian","Crystal structure of catena-poly[diaqua-bis-(μ2-5-carboxy-2-(pyridin-4-yl)benzoato-κ2 O:N)cadmium(II)] dihydrate, C26H24N2O12Cd","Zeitschrift für Kristallographie - New Crystal Structures","2016","231","1","41","42","10.1515/ncrs-2014-9092","","","0.71073","MoKα","","0.0271","0.0271","","","0.0815","0.0815","","","","","","1.146","","","","has coordinates","280884","2023-02-14","10:18:07",""
"8106780","8.2232","0.0009","8.5833","0.001","12.5916","0.0013","101.45","0.005","100.713","0.005","100.508","0.004","833.39","0.16","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C15 H19 Cl N2 O5 -","- C15 H19 Cl N2 O5 -","- C30 H38 Cl2 N4 O10 -","2","1","","Bhatt, Nilay; Samipillai, Marivale; Das, Sukant Kishore; Kruger, Hendrik Gert; Govender, Thavendran; Maguire, Glenn E.M.","Crystal structure of 2-(ethoxycarbonyl)-2-(2-nitro-1-phenylethyl)-3-oxopyrrolidinium chloride, C15H19N2O5Cl","Zeitschrift für Kristallographie - New Crystal Structures","2016","231","1","43","45","10.1515/ncrs-2014-9095","","","0.71073","MoKα","","0.0464","0.0331","","","0.0815","0.087","","","","","","1.03","","","","has coordinates","280885","2023-02-14","10:21:11",""
"8106781","12.05","0.003","5.5218","0.0013","8.1813","0.0019","90","","107.934","0.006","90","","517.9","0.2","296","2","296","2","","","","","","","","5","P 1 c 1","P -2yc","7","","","","- C11 H10 N2 O S -","- C11 H10 N2 O S -","- C22 H20 N4 O2 S2 -","2","1","","Yan, Hao-Jie; Wang, Zhi-Peng; Zhang, Qi-Qi; Chen, Wen-Hua","Crystal structure of 4-((pyridin-4-ylmethyl)sulfinyl)pyridine, C11H10N2OS","Zeitschrift für Kristallographie - New Crystal Structures","2016","231","1","47","48","10.1515/ncrs-2014-9102","","","0.71073","MoKα","","0.0586","0.0483","","","0.1176","0.1247","","","","","","1.024","","","","has coordinates","280886","2023-02-14","10:25:07",""
"8106782","10.1291","0.001","25.731","0.003","10.2395","0.001","90","","106.521","0.001","90","","2558.6","0.5","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C32 H28 N2 O2 -","- C32 H28 N2 O2 -","- C128 H112 N8 O8 -","4","1","","Liu, Zhao-Di; Sun, Fei; Wang, Fan; Xu, Hua-Jie","Crystal structure of 2,5-diethoxy-1,4-bis[2-(quinoline)ethenyl]benzene, C32H28N2O2","Zeitschrift für Kristallographie - New Crystal Structures","2016","231","1","49","51","10.1515/ncrs-2014-9118","","","0.71073","MoKα","","0.0694","0.0402","","","0.1045","0.1254","","","","","","1","","","","has coordinates","280887","2023-02-14","10:27:27",""
"8106783","14.5349","0.0005","17.3183","0.0005","20.8872","0.0007","90","","90","","90","","5257.7","0.3","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C27 H25 N4 O9 Zn -","- C27 H25 N4 O9 Zn -","- C216 H200 N32 O72 Zn8 -","8","1","","Xiao-Ling, Li; Ke-Qiang, Wang; Zhao-Xiao, Li; Xue, Zhang","Crystal structure of diaqua(μ2-1,1′-biphenyl-4,4′-diylbis(1H-imidazole)-κ2 N:N′)tetrakis(3-carboxy-5-ethylpyridine-2-carboxylato-κ2 N,O)dizinc(II), C54H50N8O18Zn2","Zeitschrift für Kristallographie - New Crystal Structures","2016","231","1","53","55","10.1515/ncrs-2014-9119","","","0.71073","MoKα","","0.0551","0.0401","","","0.1088","0.1185","","","","","","1.049","","","","has coordinates","281186","2023-03-01","08:07:23",""
"8106784","8.6114","0.0017","12.665","0.003","16.997","0.003","96.53","0.03","103.28","0.03","97.89","0.03","1766.7","0.7","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","catena-(μ~3~-3,4,5,6-tetrachlorophthalato)- (μ~2~-3,4,5,6-tetrachlorophthalato)-di-(μ~2~-aqua)- tetraaqua-potassium–neodymium(iii) 4,4'-bipyridine solvate","","- C26 H19 Cl8 K N2 Nd O13.5 -","- C26 H18 Cl8 K N2 Nd O13.5 -","- C52 H36 Cl16 K2 N4 Nd2 O27 -","2","1","","Zhang, Fan; Qu, Ya-Jie; Wu, Wen-Hua; Deng, Yu-Heng","Crystal structure of a poly[bis(3,4,5,6-tetrachlorophthalato)neodym(III)potassium(I)] — 4,4′-bipyridine — water (1/1/5.5)","Zeitschrift für Kristallographie - New Crystal Structures","2016","231","1","57","59","10.1515/ncrs-2014-9125","","","0.71073","MoK~α~","","0.0277","0.0254","","","0.0749","0.0838","","","","","","1.008","","","","has coordinates","281187","2023-03-01","08:15:17",""
"8106785","12.8444","0.0003","15.798","0.0005","14.1803","0.0004","90","","98.293","0.002","90","","2847.32","0.14","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C9 H18 N4 S3 -","- C9 H18 N4 S3 -","- C72 H144 N32 S24 -","8","2","","Wang, Peizhi; Zeng, Huahui; Wu, Xiangxiang","The second polymorph of triethylammonium 2,4,6-trisulfanylidene-1,3,5-triazinan-1-ide, C9H18N4S3","Zeitschrift für Kristallographie - New Crystal Structures","2016","231","1","61","63","10.1515/ncrs-2014-9138","","","0.71073","MoKα","","0.0754","0.051","","","0.1312","0.1466","","","","","","1.112","","","","has coordinates","281188","2023-03-01","08:18:24",""
"8106786","10.0254","0.0005","11.2726","0.0006","13.4494","0.0007","111.535","0.002","92.068","0.002","102.644","0.002","1368.16","0.13","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","2,2'-diamino[1,1'-biphenyl]-4,4'-dicarboxylic acid dihydrate","","- C14 H16 N2 O6 -","- C14 H16 N2 O6 -","- C56 H64 N8 O24 -","4","2","","Dikhtiarenko, Alla; Olivos Suarez, Alma I.; Pustovarenko, Alexey; García-Granda, Santiago; Gascon, Jorge","Crystal structure of 2,2′-diamino-[1,1′-biphenyl]-4,4′-dicarboxylic acid dihydrate, C14H16N2O6","Zeitschrift für Kristallographie - New Crystal Structures","2016","231","1","65","67","10.1515/ncrs-2014-9143","","","0.71073","MoKα","","0.0728","0.047","","","0.1181","0.1328","","","","","","1.012","","","","has coordinates","281189","2023-03-01","08:23:22",""
"8106787","8.1583","0.0016","16.525","0.003","13.134","0.003","90","","117.96","0.03","90","","1564","0.7","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H12 Mn N4 O6 -","- C12 H12 Mn N4 O6 -","- C48 H48 Mn4 N16 O24 -","4","1","","Wang, Yuan-Rui; Gao, Wen-Yuan; Li, Ya-Feng","Crystal structure of the catena-poly[bis(1H-imidazole-κN)-(μ2-furan-2,5-dicarboxylato-κ2 O 1:O 4)manganese(II)]monohydrate, C12H12MnN4O6","Zeitschrift für Kristallographie - New Crystal Structures","2016","231","1","69","70","10.1515/ncrs-2015-0017","","","0.71073","MoKα","","0.0566","0.0503","","","0.1579","0.1631","","","","","","1.097","","","","has coordinates","281190","2023-03-01","08:26:52",""
"8106788","7.484","0.0011","11.7312","0.0017","17.438","0.002","76.259","0.002","89.549","0.002","74.023","0.002","1427","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C33 H27 Ir N2 O6 -","- C33 H27 Ir N2 O6 -","- C66 H54 Ir2 N4 O12 -","2","1","","Ren, Yun-Lai; Wang, Wen-Hui; Wang, Bin-Yu; Wang, Zhi-Qiang","Crystal structure of (acetylacetonato-κ2 O:O′)bis-((1-(2-hydroxyphenyl)-3-(pyridin-2-yl)prop-2-en-1-one)-κ2 C,N)iridium(III), C33H27IrN2O6","Zeitschrift für Kristallographie - New Crystal Structures","2016","231","1","71","73","10.1515/ncrs-2015-0030","","","0.71073","MoKα","","0.0319","0.028","","","0.0677","0.0697","","","","","","1.014","","","","has coordinates","281191","2023-03-01","08:29:28",""
"8106789","8.6414","0.0008","20.755","0.002","10.1157","0.0008","90","","104.686","0.009","90","","1755","0.3","291","2","291.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C16 H16 F6 N3 P -","- C16 H16 F6 N3 P -","- C64 H64 F24 N12 P4 -","4","1","","Wang, Zhi-Qiang; Wang, Wen-Hui; Ren, Yun-Lai","Crystal structure of 1-benzyl-3-(4-methylpyridin-2-yl)-1H-imidazol-3-ium hexafluorophosphate, C16H16F6N3P","Zeitschrift für Kristallographie - New Crystal Structures","2016","231","1","75","76","10.1515/ncrs-2015-0031","","","1.54184","CuKα","","0.0698","0.0547","","","0.1496","0.1642","","","","","","1.054","","","","has coordinates","281192","2023-03-01","08:37:05",""
"8106790","11.477","0.003","6.858","0.001","21.254","0.005","90","","92.96","0.01","90","","1670.7","0.6","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C15 H23 N3 O7 -","- C15 H23 N3 O7 -","- C60 H92 N12 O28 -","4","1","","Schutte-Smith, Marietjie; Visser, Hendrik G.; Roodt, Andreas","Crystal structure of tetraethylammonium 3,5-dinitrosalicylate, C15H23N3O7","Zeitschrift für Kristallographie - New Crystal Structures","2016","231","1","77","79","10.1515/ncrs-2015-0032","","","0.71073","MoKα","","0.0748","0.0462","","","","0.1279","","","","","","1.022","","","","has coordinates","281194","2023-03-01","08:50:30",""
"8106791","11.6665","0.0003","5.7483","0.0002","14.7695","0.0004","90","","103.841","0.001","90","","961.72","0.05","296","2","296","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C21 H18 F N3 O3 S -","- C21 H18 F N3 O3 S -","- C42 H36 F2 N6 O6 S2 -","2","1","","Aydın, Abdullah; Bilginer, Sinan; Gul, Halise Inci; Akkurt, Mehmet; Mete, Ebru","Crystal structure of 4-[5-(4-fluorophenyl)-3-(4-hydroxyphenyl)-4,5-dihydropyrazol-1-yl] benzenesulfonamide, C21H18FN3O3S","Zeitschrift für Kristallographie - New Crystal Structures","2016","231","1","81","83","10.1515/ncrs-2015-0034","","","0.71073","MoKα","","0.0409","0.034","","","0.081","0.0852","","","","","","1.041","","","","has coordinates","281205","2023-03-01","09:21:58",""
"8106792","11.884","0.002","11.902","0.002","10.509","0.002","90","","90","","90","","1486.4","0.5","293","2","293","2","","","","","","","","4","P c c n","-P 2ab 2ac","56","","","","- C14 H6 Cl4 O3 -","- C14 H6 Cl4 O3 -","- C56 H24 Cl16 O12 -","4","0.5","","Qu, Hai-Tao; Fu, Ying; Ye, Fei","Crystal structure of 2,4-dichlorobenzene anhydride, C14H6Cl4O3","Zeitschrift für Kristallographie - New Crystal Structures","2016","231","1","85","86","10.1515/ncrs-2015-0036","","","0.71073","MoKα","","0.0542","0.044","","","0.1047","0.1106","","","","","","1.096","","","","has coordinates","281206","2023-03-01","09:24:40",""
"8106793","11.0161","0.0004","11.0161","0.0004","33.1459","0.0008","90","","90","","120","","3483.5","0.2","295","2","295","2","","","","","","","","5","P 65 2 2","P 65 2 (0 0 1)","179","","","","- C26 H24 N2 Ni O6 -","- C26 H24 N2 Ni O6 -","- C156 H144 N12 Ni6 O36 -","6","0.5","","Zhao, Cheng-Liang; Zhang, Heng-Qiang; Jin, Ying; Song, You-Xin; Meng, Xiang-Wei","Crystal structure of bis(2-hydroxy-2-phenylacetato-κ 2 O,O′)bis(pyridine-κ N)nickel(II), C26H24N2NiO6","Zeitschrift für Kristallographie - New Crystal Structures","2016","231","1","87","88","10.1515/ncrs-2015-0037","","","0.71073","MoKα","","0.0432","0.0351","","","0.067","0.0697","","","","","","1.081","","","","has coordinates","281207","2023-03-01","09:35:25",""
"8106794","19.5516","0.0019","4.8474","0.0005","19.3396","0.0019","90","","90","","90","","1832.9","0.3","190","2","190","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C17 H22 B N3 O7 -","- C17 H22 B N3 O7 -","- C68 H88 B4 N12 O28 -","4","1","","Ge, Chunhua; Liu, Juanjuan; Xü, Zhe; Zhang, Yang; Zhang, Xiangdong","Crystal structure of (E)-4-nitro-2-(((3-(tetrahydro-8λ4-[1,3,2]oxazaborolo[2,3-b][1,3,2]oxaborol-8-yl)phenyl)imino)methyl)phenol – water (1/2), C17H18BN3O5·2H2O","Zeitschrift für Kristallographie - New Crystal Structures","2016","231","1","89","91","10.1515/ncrs-2015-0046","","","0.71073","MoKα","","0.0681","0.055","","","0.1003","0.1065","","","","","","1.12","","","","has coordinates","281208","2023-03-01","09:37:54",""
"8106795","7.6228","0.0012","10.5401","0.0016","14.669","0.002","94.801","0.002","91.188","0.002","105.664","0.002","1129.7","0.3","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C13 H9 N O5 -","- C13 H9 N O5 -","- C52 H36 N4 O20 -","4","2","","Du, Xi-Gang; Wang, Chun-Wei","Crystal structure of 5-(4-carboxyphenoxy)-nicotinic acid, C13H9NO5","Zeitschrift für Kristallographie - New Crystal Structures","2016","231","1","93","95","10.1515/ncrs-2015-0048","","","0.71073","MoKα","","0.0532","0.0382","","","0.0963","0.1072","","","","","","1.024","","","","has coordinates","281209","2023-03-01","09:40:39",""
"8106796","10.2","0.002","19.893","0.004","11.3785","0.0017","90","","123.118","0.012","90","","1933.7","0.7","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H21 Mn N3 O10 -","- C16 H21 Mn N3 O10 -","- C64 H84 Mn4 N12 O40 -","4","1","","Wei-Dong, Yin; Yu-Hao, Duan; Gui-Lian, Li","Crystal structure of catena-poly[hexaaquabis(μ2-3-nitrophthalate-κ2 O:O′)-(μ2-1,4-bis(4-pyridylmethyl)piperazine-κ2 N:N′)dimanganese(II)] dihydrate, C32H42Mn2N6O20","Zeitschrift für Kristallographie - New Crystal Structures","2016","231","1","97","99","10.1515/ncrs-2015-0050","","","0.71073","MoKα","","0.0762","0.0602","","","0.1551","0.1673","","","","","","1.077","","","","has coordinates","281210","2023-03-01","09:43:42",""
"8106797","9.6654","0.0011","10.5458","0.0012","10.7081","0.0012","108.522","0.001","92.064","0.001","111.476","0.001","948.62","0.19","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C19 H18 Cd N2 O5 -","- C19 H18 Cd N2 O5 -","- C38 H36 Cd2 N4 O10 -","2","1","","Hai-Xia, Wu; Hai-Yan, Zhang; Ling-Yun, Xin","Crystal structure of diaquabis(bicyclo[2.2.1]hept-5-ene-2,3-dicarboxylate-κ 4O, O′:/O′′,O′′′)bis-(2,2′-bipyridine-κ 2N, N′)dicadmium(II) hydrate","Zeitschrift für Kristallographie - New Crystal Structures","2016","231","1","101","103","10.1515/ncrs-2015-0051","","","0.71073","MoKα","","0.0211","0.02","","","0.0535","0.0541","","","","","","1.058","","","","has coordinates","281211","2023-03-01","10:09:33",""
"8106798","7.1583","0.0009","28.524","0.004","7.6021","0.0008","90","","94.443","0.011","90","","1547.6","0.3","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","(R)-1-(1-(6-fluorobenzo[d]thiazol-2-yl)ethyl)-3-phenylthiourea","(R)-1-(1-(6-fluorobenzo[d]thiazol-2-yl)ethyl)-3-phenylthiourea","","- C16 H14 F N3 S2 -","- C16 H14 F N3 S2 -","- C64 H56 F4 N12 S8 -","4","2","","Wang, Xiao-Juan","Crystal structure of (R)-1-(1-(6-fluorobenzo[d]thiazol-2-yl)ethyl)-3-phenylthiourea","Zeitschrift für Kristallographie - New Crystal Structures","2016","231","1","105","107","10.1515/ncrs-2015-0052","","","0.71073","MoKα","","0.0761","0.0547","","","0.1201","0.1346","","","","","","1.085","","","","has coordinates","281212","2023-03-01","10:11:57",""
"8106799","11.4709","0.0019","13.328","0.002","20.062","0.003","90","","94.305","0.003","90","","3058.5","0.8","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C34 H26 N4 Ni O6 -","- C34 H26 N4 Ni O6 -","- C136 H104 N16 Ni4 O24 -","4","1","","Yan, Yongnian; Qi, Yanjuan","Crystal structure of poly[(μ 2-1,4-bis((1H-imidiazol-1-yl)methyl)benzene-κ 2 N:N′)-(μ 2-4,4′-(1,2-phenylenebis(oxy)dibenzoato-κ 4 O,O′:O′′,O′′′)nickel(II)], C34H26O6N4Ni","Zeitschrift für Kristallographie - New Crystal Structures","2016","231","1","109","111","10.1515/ncrs-2015-0053","","","0.71073","MoKα","","0.0704","0.0393","","","0.0868","0.0983","","","","","","1.014","","","","has coordinates","281213","2023-03-01","10:15:49",""
"8106800","11.667","0.0004","11.3338","0.0004","11.6415","0.0004","90","","110.269","0.001","90","","1444.05","0.09","295","2","295","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C17 H14 O7 -","- C17 H14 O7 -","- C68 H56 O28 -","4","1","","Brito, Iván; Simirgiotis, Mario; Jerz, Gerold; Werner, Miriam Rodríguez; Bórques, Jorge; Winterhalter, Peter; Cárdenas, Alejandro","Crystal structure of 3′,4′,5-trihydroxy-3,7-dimethoxyflavone, C17H14O7","Zeitschrift für Kristallographie - New Crystal Structures","2016","231","1","113","115","10.1515/ncrs-2015-0054","","","1.54178","CuKα","","0.0531","0.0383","","","0.0926","0.1005","","","","","","1.04","","","","has coordinates","281230","2023-03-02","07:58:30",""
"8106801","10.075","0.0003","10.7593","0.0007","13.3097","0.0006","74.619","0.005","86.861","0.003","88.582","0.004","1388.93","0.12","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C20 H41 Cl N2 S4 Sn -","- C20 H41 Cl N2 S4 Sn -","- C40 H82 Cl2 N4 S8 Sn2 -","2","1","","Abdul Muthalib, Amirah Faizah; Baba, Ibrahim; Abdul Halim, Siti Nadiah; Tiekink, Edward R. T.","Crystal structure of n-butyl-chlorido-bis[N-sec-butyl,N-n-propyl-carbamodithioato κ 2 S,S′]-tin(IV), C20H41ClN2S4Sn","Zeitschrift für Kristallographie - New Crystal Structures","2016","231","1","117","120","10.1515/ncrs-2015-0055","","","0.71073","MoKα","","0.0545","0.0439","","","0.0971","0.1055","","","","","","1.055","","","","has coordinates,has disorder","281231","2023-03-02","08:02:16",""
"8106802","9.3604","0.0011","11.7945","0.0014","19.805","0.002","94.227","0.002","98.39","0.002","98.965","0.002","2126.2","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C47 H31 Co2 N2 O12 -","- C47 H31 Co2 N2 O12 -","- C94 H62 Co4 N4 O24 -","2","1","","Gao, Ye","Crystal structure of poly[bis(μ4-4,4′-(1,2-phenylenebis(oxy))dibenzoato-κ4 O:O′:O′′:O′′′)bis(μ3-4,4′-(1,2-phenylenebis(oxy))dibenzoato–κ3 O:O′:O′′)(μ2-1-(4-((1H-imidazol-1-yl)methyl)benzyl)-1H-imidazole-κ2 N:N′)tetracobalt(II)], C94H62O24N4Co4","Zeitschrift für Kristallographie - New Crystal Structures","2016","231","1","121","123","10.1515/ncrs-2015-0056","","","0.71073","MoKα","","0.1042","0.054","","","0.1163","0.138","","","","","","0.949","","","","has coordinates","281232","2023-03-02","08:05:03",""
"8106803","10.164","0.007","13.927","0.009","11.409","0.008","90","","111.863","0.01","90","","1498.8","1.8","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C28 H30 F4 N2 Ni O8 -","- C28 H30 F4 N2 Ni O8 -","- C56 H60 F8 N4 Ni2 O16 -","2","0.5","","Hou-Qun, Yuan; Wei, Xiao; Chun-Yan, Hu; Guang-Ming, Bao","Crystal structure of catenapoly[diaqua-(μ 24,4′-bipyridine)-κ 2 N:N′)-bis(2,6-difluorobenzoate)-κO)nickel(II)] ethanol monosolvate, C28H30F4N2O8Ni","Zeitschrift für Kristallographie - New Crystal Structures","2016","231","1","125","127","10.1515/ncrs-2015-0057","","","0.71073","MoKα","","0.0536","0.0389","","","0.0957","0.1037","","","","","","1.04","","","","has coordinates","281233","2023-03-02","08:07:30",""
"8106804","19.813","0.0012","8.1643","0.0005","14.9521","0.0009","90","","90","","90","","2418.6","0.3","100","2","100","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C14 H11 N3 S -","- C14 H11 N3 S -","- C112 H88 N24 S8 -","8","1","","Hijazi, Ahmed K.; Abu-Salem, Qutaiba; Ajlouni, Abdulaziz; Taha, Ziyad A.","Crystal structure of 2-(9H-fluoren-9-ylidene)hydrazine-1-carbothioamide, C14H11N3S","Zeitschrift für Kristallographie - New Crystal Structures","2016","231","1","129","131","10.1515/ncrs-2015-0058","","","0.71073","MoKα","","0.0376","0.0308","","","0.0845","0.088","","","","","","1.055","","","","has coordinates","281234","2023-03-02","08:11:38",""
"8106805","12.1735","0.0003","7.36483","0.00018","16.1137","0.0004","90","","103.028","0.002","90","","1407.5","0.06","291","2","291.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H16 N2 O -","- C18 H16 N2 O -","- C72 H64 N8 O4 -","4","1","","Li, Hong-Mei; Zu, En-Pu; Xu, Chen","Crystal structure of 2-(4-methoxyphenyl)-2,3-dihydro-1H-perimidine, C18H16N2O","Zeitschrift für Kristallographie - New Crystal Structures","2016","231","1","133","134","10.1515/ncrs-2015-0059","","","1.54184","CuKα","","0.0449","0.0387","","","0.1031","0.1087","","","","","","1.037","","","","has coordinates","281235","2023-03-02","08:15:09",""
"8106806","8.1731","0.0016","8.715","0.0017","15.396","0.003","75.4","0.03","79.26","0.03","71.82","0.03","1001.3","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H18 N2 O7 Zn -","- C22 H18 N2 O7 Zn -","- C44 H36 N4 O14 Zn2 -","2","1","","Xu, Chunying; Li, Jili; Lei, Song; Li, Shenshen; Su, Tong","Crystal structure of catena-poly[diaquabis(μ2-3-carboxybenzene-1,2-dicarboxylato-1:2κ2 O:O′)-(μ2-1,4-bis(2-ethylbenzimidazol-1-ylmethyl)-benzene-1:1′κ2 N:N′)dizinc(II)], [Zn2(C26H26N4)(C9H4O6)2(H2O)2]","Zeitschrift für Kristallographie - New Crystal Structures","2016","231","1","135","138","10.1515/ncrs-2015-0060","","","0.71073","MoKα","","0.0345","0.032","","","0.0768","0.0783","","","","","","1.086","","","","has coordinates","281236","2023-03-02","08:17:43",""
"8106807","11.612","0.002","5.2119","0.0011","13.762","0.003","90","","101.151","0.003","90","","817.2","0.3","296","2","296","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C16 H18 O8 Zn -","- C16 H18 O8 Zn -","- C32 H36 O16 Zn2 -","2","0.5","","Xiao, Wei; Yuan, Hou-Qun; Li, Yan-Xia; Hu, Chun-Yan; Bao, Guang-Ming","Crystal structure of diaquabis(phenoxyacetato-κ2 O,O′)-zinc(II), C16H18O8Zn","Zeitschrift für Kristallographie - New Crystal Structures","2016","231","1","139","140","10.1515/ncrs-2015-0061","","","0.71073","MoKα","","0.0255","0.0248","","","0.0786","0.079","","","","","","1.135","","","","has coordinates","281237","2023-03-02","08:20:40",""
"8106808","11.8213","0.0011","10.361","0.001","11.8552","0.0011","90","","101.154","0.001","90","","1424.6","0.2","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H14 Fe N4 -","- C17 H14 Fe N4 -","- C68 H56 Fe4 N16 -","4","1","","Wang, Xin-Ling; Li, Hong-Mei","Crystal structure of 4-(1H-imidazol-1-yl)-6-pyrimidinylferrocene, C17H14FeN4","Zeitschrift für Kristallographie - New Crystal Structures","2016","231","1","141","143","10.1515/ncrs-2015-0062","","","0.71073","MoKα","","0.0261","0.0233","","","0.0632","0.0653","","","","","","1.05","","","","has coordinates","281239","2023-03-02","08:23:01",""
"8106809","30.1968","0.0008","30.1968","0.0008","11.4611","0.0003","90","","90","","120","","9050.6","0.4","291","2","291.15","","","","","","","","","6","R 3 m :H","R 3 -2""","160","","","","- C38 H45 Cl N4 O Pd -","- C38 H45 Cl N4 O Pd -","- C342 H405 Cl9 N36 O9 Pd9 -","9","0.5","","Wang, Xin-Ling; Li, Hong-Mei","Crystal structure of [2-(4-methoxyphenyl)pyrazine-κ2 C,N) chlorido[N,N′-bis-(2,6-diisopropyl-phenyl)imidazol-2-ylidene-κC)] palladium(II), C38H45ClN4OPd","Zeitschrift für Kristallographie - New Crystal Structures","2016","231","1","145","147","10.1515/ncrs-2015-0063","","","0.71073","MoKα","","0.0481","0.0397","","","0.1011","0.1053","","","","","","1.041","","","","has coordinates,has disorder","281240","2023-03-02","08:26:32",""
"8106810","13.6464","0.0002","18.1592","0.0003","13.9829","0.0002","90","","107.557","0.001","90","","3303.66","0.09","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","2-(4-Acetyl-2,6-dimethyl-phenyl)-5,6-dichloro-isoindole-1,3-dione","2-(4-Acetyl-2,6-dimethyl-phenyl)-5,6-dichloro-isoindole-1,3-dione","","- C18 H13 Cl2 N O3 -","- C18 H13 Cl2 N O3 -","- C144 H104 Cl16 N8 O24 -","8","2","","Li, Feng-Cui; Shi, Qi-Lin; Zhou, Xiao-Hu; Ren, Yang; Xu, Hai","Crystal structure of 2-(4-acetyl-2,6-dimethyl-phenyl)-5,6-dichloro-isoindole-1,3-dione, C18H13Cl2NO3","Zeitschrift für Kristallographie - New Crystal Structures","2016","231","1","149","151","10.1515/ncrs-2015-0064","","","0.71073","MoKα","","0.0334","0.0291","","","0.0734","0.0768","","","","","","1.021","","","","has coordinates","281241","2023-03-02","08:29:14",""
"8106811","10.101","0.005","10.589","0.006","10.705","0.006","93.183","0.008","108.614","0.008","97.323","0.008","1070.6","1","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C26 H18 N2 O8 -","- C26 H18 N2 O8 -","- C52 H36 N4 O16 -","2","1","","Yao, Li-Ping; Zhao, Yan","Crystal structure of 4,4′-bipyridin-1-ium 3,3′,5′-tricarboxy-[1,1′-biphenyl]-2-carboxylate, (C26H18N2O8)","Zeitschrift für Kristallographie - New Crystal Structures","2016","231","1","153","155","10.1515/ncrs-2015-0065","","","0.71073","MoKα","","0.0464","0.0399","","","0.1027","0.1084","","","","","","1.044","","","","has coordinates","281242","2023-03-02","08:32:18",""
"8106812","7.6612","0.0006","8.0725","0.0007","16.3021","0.001","89.394","0.006","77.966","0.006","69.868","0.008","923.75","0.13","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C40 H40 N4 Ni O12 -","- C40 H40 N4 Ni O12 -","- C40 H40 N4 Ni O12 -","1","0.5","","Li, Shi-Hui; Hu, Xu-Ze; Zhao, Yan","Crystal structure of catena-poly[diaqua-μ2-4,4′-biphenyl-4,4′-diyldipyridine-κ2 N:N′-bis(5-carboxy-2,6-dimethylpyridine-3-carboxylato-κO)nickel(II)] dihydrate, C40H40N4O12Ni","Zeitschrift für Kristallographie - New Crystal Structures","2016","231","1","157","159","10.1515/ncrs-2015-0066","","","0.71073","MoKα","","0.0658","0.0492","","","0.1309","0.1644","","","","","","1.156","","","","has coordinates","281244","2023-03-02","08:47:43",""
"8106813","8.977","0.002","11.751","0.003","14.224","0.004","90","","90","","90","","1500.5","0.7","296","2","296","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C16 H10 Cd N2 O4 S -","- C16 H10 Cd N2 O4 S -","- C64 H40 Cd4 N8 O16 S4 -","4","1","","Yao, Li-Ping; Zhang, Li","Crystal structure of poly-[μ 2-4,4′-bipyridine-κ 2 N:N′−μ 3-thiophene-2,3-di-carboxylato-κ 4 O,O′, O′′:O′′′ -cadmium(II)]","Zeitschrift für Kristallographie - New Crystal Structures","2016","231","1","161","163","10.1515/ncrs-2015-0067","","","0.71073","MoKα","","0.0206","0.0188","","","0.0431","0.0444","","","","","","1.04","","","","has coordinates,has disorder","281245","2023-03-02","08:51:19",""
"8106814","6.5076","0.001","8.4923","0.0013","9.8092","0.0015","66.618","0.001","86.903","0.002","82.235","0.002","493.02","0.13","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C12 H18 Mn O14 S2 -","- C12 H18 Mn O14 S2 -","- C12 H18 Mn O14 S2 -","1","0.5","","Zhao, Yan; Li, Shi-Hui; Zhang, Li","Crystal structure of hexaaquamanganese(II) bis(3-carboxythiophene-2-carboxylate) C12H18MnO14S2","Zeitschrift für Kristallographie - New Crystal Structures","2016","231","1","165","167","10.1515/ncrs-2015-0069","","","0.71073","MoKα","","0.0596","0.0569","","","0.1756","0.1792","","","","","","1.051","","","","has coordinates","281246","2023-03-02","08:54:26",""
"8106815","11.75","0.018","8.194","0.013","12.91","0.02","90","","102.306","0.019","90","","1214","3","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H10 N4 O2 -","- C14 H10 N4 O2 -","- C56 H40 N16 O8 -","4","1","","Zhao, Yan; Zhang, Li","Crystal structure of 4-(3-(pyridin-3-yl)-1H-1,2,4-triazol-5-yl)benzoic acid, C14H10N4O2","Zeitschrift für Kristallographie - New Crystal Structures","2016","231","1","169","170","10.1515/ncrs-2015-0070","","","0.71073","MoKα","","0.1017","0.0505","","","0.1098","0.1327","","","","","","1.028","","","","has coordinates","281247","2023-03-02","09:22:22",""
"8106816","9.5737","0.0005","12.0958","0.0004","12.2705","0.0007","64.083","0.005","80.907","0.004","82.8","0.004","1259.44","0.12","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C15 H9 N3 S -","- C15 H9 N3 S -","- C60 H36 N12 S4 -","4","2","","De-La-Torre, Pedro; Gutierrez, Margarita; Caballero, Julio; Trilleras, Jorge; Astudillo, Luis; Cardenas, Alejandro; Brito, Ivan","Crystal structure of (E)-2-(benzo[d]thiazol-2-yl)-3-(pyridin-3-yl)acrylonitrile)","Zeitschrift für Kristallographie - New Crystal Structures","2016","231","1","171","173","10.1515/ncrs-2015-0073","","","0.71073","MoKα","","0.0379","0.0344","","","0.0946","0.0974","","","","","","1.073","","","","has coordinates","281248","2023-03-02","09:26:39",""
"8106817","6.78","0.002","27.939","0.008","11.546","0.004","90","","101.63","0.004","90","","2142.2","1.2","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H15 N4 O9 Sm -","- C24 H15 N4 O9 Sm -","- C96 H60 N16 O36 Sm4 -","4","1","","Zhang, Li; Zhu, Mei","Crystal structure of catena-poly[2,2′-bipyridinyl-6,6′-dicarboxylato-κ 4 N,N′,O,O′)-(μ 2-2,2′-bipyridinyl-6′-carboxyl-6-carboxylato-κ 5 N,N′,O,O′:O′′)samarium(III)] monohydrate, C24H13N4O8Sm · H2O","Zeitschrift für Kristallographie - New Crystal Structures","2016","231","1","175","177","10.1515/ncrs-2015-0074","","","0.71073","MoKα","","0.0245","0.0221","","","0.0587","0.0647","","","","","","1.131","","","","has coordinates","281249","2023-03-02","09:30:26",""
"8106818","6.826","0.005","9.04","0.007","10.93","0.008","101.068","0.008","95.054","0.008","96.278","0.008","653.8","0.8","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H22 Cu N8 O6 -","- C28 H22 Cu N8 O6 -","- C28 H22 Cu N8 O6 -","1","0.5","","Zhao, Yan; Zhu, Mei","Crystal structure of catena-poly[bis(μ 2-4-(3-(pyridin-3-yl)-1H-1,2,4-triazol-5-yl)benzoato)-κ 2 N:O)copper(II)] dihydrate, C28H22N8O6Cu","Zeitschrift für Kristallographie - New Crystal Structures","2016","231","1","179","181","10.1515/ncrs-2015-0075","","","0.71073","MoKα","","0.064","0.0469","","","0.1063","0.1163","","","","","","1.072","","","","has coordinates","281250","2023-03-02","09:44:33",""
"8106819","7.051","0.009","7.807","0.01","9.752","0.012","79.374","0.013","86.453","0.014","72.699","0.014","503.7","1.1","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","catena-[(μ2-4,4'-bipyridine)-tetra-aqua-zinc(ii) fumarate tetrahedrate]","","- C14 H26 N2 O12 Zn -","- C14 H26 N2 O12 Zn -","- C14 H26 N2 O12 Zn -","1","0.5","","Yang, Zhi-Jun; Ni, Tian-Jun; He, Guang-Jie","Crystal structure of catena-poly[tetraaqua-(μ 2-4,4′-bipyridine-k2 N:N′)-zinc(II)] fumarate tetrahydrate, C14H26N2O12Zn","Zeitschrift für Kristallographie - New Crystal Structures","2016","231","1","183","184","10.1515/ncrs-2015-0076","","","0.71073","MoKα","","0.0315","0.0296","","","0.0783","0.0797","","","","","","1.339","","","","has coordinates","281251","2023-03-02","09:55:05",""
"8106820","15.7653","0.0019","16.955","0.002","18.838","0.002","70.355","0.002","87.782","0.002","63.737","0.002","4216.5","0.8","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","(tri-aqua-(1,10-phenanthroline)-dihydrogen 3,3',3''-(2,4,6-trioxo-1,3,5-triazinane-1,3,5-triyl)tripropanoato)- cobalt(II) dihydrogen 3,3',3''-(2,4,6-trioxo-1,3,5-triazinane- 1,3,5-triyl)tripropanoate.","","- C72 H82 Co2 N16 O42 -","- C72 H82 Co2 N16 O42 -","- C144 H164 Co4 N32 O84 -","2","1","","He, Guang-Jie; Ni, Tian-Jun; Yang, Zhi-Jun","Crystal structure of triaqua-(1,10-phenanthroline)-(dihydrogen-3,3′,3′′-(2,4,6-trioxo-1,3,5-triazinane-1,3,5-triyl)tripropanoato) cobalt(II)dihydrogen-3,3′,3′′-(2,4,6-trioxo-1,3,5-triazinane-1,3,5-triyl)tripropanoate, C72H82Co2N16O42","Zeitschrift für Kristallographie - New Crystal Structures","2016","231","1","185","189","10.1515/ncrs-2015-0078","","","0.71073","MoKα","","0.147","0.0735","","","0.1405","0.1772","","","","","","1.024","","","","has coordinates","281252","2023-03-02","10:00:14",""
"8106821","32.262","0.011","4.2743","0.0015","16.205","0.006","90","","115.582","0.004","90","","2015.6","1.2","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C22 H16 Br2 N2 Pb -","- C22 H16 Br2 N2 Pb -","- C88 H64 Br8 N8 Pb4 -","4","0.5","","Zhao, Yan; Hu, Xu-Ze; Zhang, Rui","Crystal structure of poly[dibromido-(μ 2–4,4′-bis-(pyrid-4-yl)biphenyl-κ 2 N:N′)lead(II)], C22H16N2PbBr2","Zeitschrift für Kristallographie - New Crystal Structures","2016","231","1","191","192","10.1515/ncrs-2015-0079","","","0.71073","MoKα","","0.1093","0.0578","","","0.125","0.1462","","","","","","1.079","","","","has coordinates","281253","2023-03-02","10:08:02",""
"8106822","6.892","0.003","8.469","0.004","11.306","0.005","86.963","0.006","88.691","0.005","85.404","0.006","656.8","0.5","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H24 Co N2 O12 -","- C26 H24 Co N2 O12 -","- C26 H24 Co N2 O12 -","1","0.5","","Zhao, Yan; Hu, Xu-Ze; Li, Shi-Hui","Crystal structure of catena-poly[diaqua-bis(μ2-5-carboxy-2-(pyridin-4-yl)benzoato-κ2 O:N)-cobalt(II)]dihydrate, C26H24N2O12Co","Zeitschrift für Kristallographie - New Crystal Structures","2016","231","1","193","194","10.1515/ncrs-2015-0080","","","0.71073","MoKα","","0.0999","0.0561","","","0.1319","0.1554","","","","","","1.032","","","","has coordinates","281254","2023-03-02","10:13:17",""
"8106823","8.157","0.002","9.262","0.002","15.465","0.004","87.887","0.004","89.803","0.004","72.727","0.004","1114.9","0.5","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","","","- C25 H23 N5 O4 -","- C25 H23 N5 O4 -","- C50 H46 N10 O8 -","2","1","","Xu, Wen-Jun; Qi, De-Qiang; You, Jin-Zong; Wang, Xue-Jie; Zhang, Yi-Ping; Hu, Fei-Fei; Bian, Jia-Ying; Yang, Chun-Xia; Huang, Juan","Crystal structure of 5-(4-pyridyl)pyrimidine–4,4′-bipyridine–1,3,5-benzenetriol–water (1:1:1:1), C25H23N5O4","Zeitschrift für Kristallographie - New Crystal Structures","2016","231","1","195","197","10.1515/ncrs-2015-0083","","","0.71073","MoKα","","0.1177","0.0755","","","0.1653","0.184","","","","","","1.029","","","","has coordinates","281255","2023-03-02","10:23:39",""
"8106824","7.4445","0.0003","13.7846","0.0007","14.0875","0.0009","109.945","0.005","101.686","0.004","101.735","0.004","1271.14","0.13","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C32 H24 N2 O7 -","- C32 H24 N2 O7 -","- C64 H48 N4 O14 -","2","1","","Benites, Julio; Valderrama, Jaime A.; Estela, Cynthia; Ríos, David; Cárdenas, Alejandro; Brito, Iván","Crystal structure of 5-hydroxy-4-((4-hydroxyphenyl)imino)naphthalen-1(4H)-one monohydrate, C16H11NO3 · 0.5H2O","Zeitschrift für Kristallographie - New Crystal Structures","2016","231","1","199","201","10.1515/ncrs-2015-0086","","","1.5418","CuKα","","0.0392","0.0337","","","0.0872","0.0928","","","","","","1.045","","","","has coordinates","281257","2023-03-02","10:33:24",""
"8106825","13.5536","0.0009","5.073","0.0003","17.6641","0.0012","90","","100.448","0.002","90","","1194.4","0.13","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C14 H14 N2 O2 -","- C14 H14 N2 O2 -","- C56 H56 N8 O8 -","4","1","","Mabkhot, Yahia Nasser; Barakat, Assem; Ghabbour, Hazem A.; Fun, Hoong-Kun","Crystal structure of 2-amino-N-(4-methoxyphenyl)benzamide, C14H14N2O2","Zeitschrift für Kristallographie - New Crystal Structures","2016","231","1","203","204","10.1515/ncrs-2015-0089","","","0.71073","MoKα","","0.0665","0.0461","","","0.1135","0.125","","","","","","1.029","","","","has coordinates","281258","2023-03-02","10:36:08",""
"8106826","8.2996","0.0005","8.3739","0.0004","10.7565","0.0005","94.942","0.003","112.199","0.004","102.752","0.004","663.09","0.07","299","2","299.52","","","","","","","","","3","P -1","-P 1","2","","","","- C15 H14 O6 -","- C15 H14 O6 -","- C30 H28 O12 -","2","1","","Benites, Julio; Valderrama, Jaime A.; Ríos, David; Cárdenas, Alejandro; Brito, Iván","Crystal structure of (2,5-dihydroxyphenyl)-(4-hydroxy-3,5-dimethoxyphenyl)methanone, C15H14O6","Zeitschrift für Kristallographie - New Crystal Structures","2016","231","1","205","206","10.1515/ncrs-2015-0090","","","1.54178","CuKα","","0.0449","0.0443","","","0.1126","0.1134","","","","","","1.127","","","","has coordinates","281263","2023-03-02","10:40:10",""
"8106827","20.7287","0.0017","14.4602","0.0011","11.2765","0.0009","90","","90","0.001","90","","3380","0.5","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C39 H31 Cl2 N3 O6 Zn -","- C39 H31 Cl2 N3 O6 Zn -","- C156 H124 Cl8 N12 O24 Zn4 -","4","0.5","","Li, Yaping; Sun, Dajun; Ming, Julia; Su, Guanfang","Crystal structure of dichlorido[bis(2-hydroxyethyl)5′-([2,2′:6′,2′′-terpyridin]-4′-yl)-[1,1′:3′,1′′-terphenyl]-4,4′′-dicarboxylato]zinc(II), C39H31Cl2N3O6Zn","Zeitschrift für Kristallographie - New Crystal Structures","2016","231","1","207","209","10.1515/ncrs-2015-0092","","","0.71073","MoKα","","0.0672","0.0487","","","0.1334","0.1466","","","","","","1.039","","","","has coordinates","281264","2023-03-02","10:43:45",""
"8106828","29.701","0.002","11.194","0.0008","13.1275","0.0009","90","","97.393","0.006","90","","4328.3","0.5","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C48 H40 F4 N6 O10 -","- C48 H40 F4 N6 O10 -","- C192 H160 F16 N24 O40 -","4","0.5","","An, Zhe; Zhu, Ling; Zhao, Xin-Hua","Crystal structure of bis[4-(3-carboxy-6-fluoro-1-(4-fluorophenyl)-4-oxo-1,4-dihydroquinolin-7-yl)piperazin-1-ium] benzene-1,4-dicarboxylate (C20H18F2N3O3)2(C8H4O4), C48H40F4N6O10","Zeitschrift für Kristallographie - New Crystal Structures","2016","231","1","211","212","10.1515/ncrs-2015-0093","","","0.71073","MoKα","","0.0839","0.0462","","","0.1136","0.1337","","","","","","1.004","","","","has coordinates","281648","2023-03-06","08:00:10",""
"8106829","22.6015","0.0012","7.1344","0.0004","7.3789","0.0004","90","","90","","90","","1189.83","0.11","298","2","298","","","","","","","","","3","P c a 21","P 2c -2ac","29","","","","- C14 H12 O4 -","- C14 H12 O4 -","- C56 H48 O16 -","4","1","","Benites, Julio; Valderrama, Jaime A.; Ríos, David; Cárdenas, Alejandro; Brito, Iván","Crystal structure of (2,5-dihydroxyphenyl)-(4-methoxyphenyl)methanone, C14H12O4","Zeitschrift für Kristallographie - New Crystal Structures","2016","231","1","213","214","10.1515/ncrs-2015-0094","","","0.71073","MoKα","","0.0827","0.0647","","","0.1667","0.1864","","","","","","1.062","","","","has coordinates","281649","2023-03-06","08:03:24",""
"8106830","6.4504","0.0002","16.9752","0.0004","22.8762","0.0006","90","","91.779","0.001","90","","2503.66","0.12","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C29 H22 F6 O S2 -","- C29 H22 F6 O S2 -","- C116 H88 F24 O4 S8 -","4","1","","Fan, Congbin; Fu, Yinglong; Pu, Shouzhi","Crystal structure of photochromic 1-(2-methyl-5-phenyl-3-thienyl-2-[2-methyl-5-(4-ethoxylphenyl)-3-thienyl] 3,3,4,4,5,5-hexafluoro-cyclopent-1-ene, C29H22F6OS2","Zeitschrift für Kristallographie - New Crystal Structures","2016","231","1","215","217","10.1515/ncrs-2015-0095","","","0.71073","MoKα","","0.0495","0.0377","","","0.1","0.1156","","","","","","1.078","","","","has coordinates","281650","2023-03-06","08:05:51",""
"8106831","22.286","0.007","22.725","0.007","14.056","0.005","90","","90","","90","","7119","4","296","2","296","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C82 H64 Co2 N12 O11 -","- C82 H62 Co2 N12 O11 -","- C328 H248 Co8 N48 O44 -","4","0.5","","Zi, Wang; Guo-Wang, Xu; Hai-Bin, Wang; Zhi-Hang, Zhou; Dong-Sheng, Li","Crystal structure of poly[diaquabis(μ2-biphenyl-2,4′-dicarboxylato-κ2 O:O′)tris(μ2-1,1′-biphenyl-4,4′-diylbis(1H-imidazole)-κ2 N:N′)dicobalt(II)] monohydrat, C82H64N12O11Co2","Zeitschrift für Kristallographie - New Crystal Structures","2016","231","1","219","221","10.1515/ncrs-2015-0096","","","0.71073","MoKα","","0.085","0.0582","","","0.1445","0.1634","","","","","","1.061","","","","has coordinates","281651","2023-03-06","08:15:58",""
"8106832","13.2109","0.0011","10.957","0.001","20.2646","0.0018","90","","101.411","0.009","90","","2875.4","0.4","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C16 H12 F2 N2 O2 -","- C16 H12 F2 N2 O2 -","- C128 H96 F16 N16 O16 -","8","1","","Zhang, Guang-Hui","Crystal structure of 2-amino-4-(3,4-difluorophenyl)-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile, C16H12N2O2F2","Zeitschrift für Kristallographie - New Crystal Structures","2016","231","1","223","224","10.1515/ncrs-2015-0097","","","0.71073","MoKα","","0.0754","0.0529","","","0.1445","0.1649","","","","","","1.026","","","","has coordinates","281652","2023-03-06","08:22:32",""
"8106833","5.8671","0.0013","15.661","0.003","6.9649","0.0015","90","","100.343","0.004","90","","629.6","0.2","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C3 H2 Na O7 Zn -","- C3 H2 Na O7 Zn -","- C12 H8 Na4 O28 Zn4 -","4","1","","Zhou, Fang-Xia","Crystal structure of poly[(di-μ2-aqua-κ2 O:O)bis(μ5-oxalato-1:2κ2 O 1; 1κ1 O 2; 3:4:5κ3 O 3; 3κ1 O 4)(μ4-oxalato-1:2κ2 O 1; 2:3κ2 O 2; 3:4κ2 O 3; 4:1κ2 O 4)dizinc(II)disodium(I)]","Zeitschrift für Kristallographie - New Crystal Structures","2016","231","1","225","226","10.1515/ncrs-2015-0098","","","0.71073","MoKα","","0.1127","0.0488","","","0.0852","0.104","","","","","","0.945","","","","has coordinates","281653","2023-03-06","08:26:20",""
"8106834","7.155","0.004","10.009","0.006","11.629","0.004","90","","98.487","0.005","90","","823.7","0.7","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C8 H20 Cl6 N Ta -","- C8 H20 Cl6 N Ta -","- C16 H40 Cl12 N2 Ta2 -","2","0.5","","Koen, Renier; Visser, Hendrik G.; Roodt, Andreas","Crystal structure of tetraethylammonium hexachloridotantalate(V), C8H20Cl6NTa","Zeitschrift für Kristallographie - New Crystal Structures","2016","231","1","227","229","10.1515/ncrs-2015-0099","","x-ray","0.71073","MoKα","","0.0264","0.0207","","","0.0501","0.0531","","","","","","1.026","","","","has coordinates,has disorder","281654","2023-03-06","08:31:00",""
"8106835","12.794","0.003","7.2041","0.0015","14.862","0.003","90","","93.355","0.005","90","","1367.5","0.5","293","","293","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C13 H8 Br2 N2 O3 -","- C13 H8 Br2 N2 O3 -","- C52 H32 Br8 N8 O12 -","4","1","","Hong, Yong; Huang, Dushu; Liu, Wei; Zhang, Yinghong","Crystal structure of (E)-2,4-dibromo-6-(((2-nitrophenyl)imino)methyl)phenol, C13H8Br2N2O3","Zeitschrift für Kristallographie - New Crystal Structures","2016","231","1","231","232","10.1515/ncrs-2015-0100","","","1.54178","CuKα","","0.0414","0.0398","","","0.0921","0.0938","","","","","","1.107","","","","has coordinates","281655","2023-03-06","08:34:16",""
"8106836","7.686","0.005","10.161","0.005","19.899","0.005","90","0.005","90","0.005","90","0.005","1554.1","1.3","100","2","100","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","6-Chloro-2,4-diphenylquinoline","","- C21 H14 Cl N -","- C21 H14 Cl N -","- C84 H56 Cl4 N4 -","4","1","","Van Tonder, Johannes; Visser, Hendrik G.; Koen, Renier","The crystal structure of 6-chloro-2,4-diphenylquinoline","Zeitschrift für Kristallographie - New Crystal Structures","2016","231","1","233","235","10.1515/ncrs-2015-0102","","","0.71073","MoKα","","0.034","0.0318","","","0.0765","0.0783","","","","","","1.066","","","","has coordinates","281656","2023-03-06","08:36:51",""
"8106837","7.066","0.003","9.996","0.004","12.873","0.005","86.007","0.014","74.861","0.014","69.596","0.013","822.4","0.6","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","5-methyl(2-(1,10-phenanthrolin-5-ylimino)methyl)phenol hydrate","","- C20 H17 N3 O2 -","- C20 H17 N3 O2 -","- C40 H34 N6 O4 -","2","1","","Tsosane, Mampotso S.; Visser, Hendrik G.; Brink, Alice","Crystal structure of (E)-2-(((1,10-phenanthrolin-5-yl)imino)methyl)-5-methylphenol monohydrate, C20H15N3O·H2O","Zeitschrift für Kristallographie - New Crystal Structures","2016","231","1","237","239","10.1515/ncrs-2015-0103","","","0.71073","MoKα","","0.0507","0.0424","","","","0.1241","","","","","","1.073","","","","has coordinates","281657","2023-03-06","08:39:31",""
"8106838","13.331","0.0013","13.331","0.0013","58.07","0.009","90","","90","","120","","8937.3","1.9","296","2","296","2","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","[Tri(3-(2-pyridyl)pyrazole)zinc(II)] Zinc(II) Tetrachloride","","- C24 H21 Cl4 N9 Zn2 -","- C24 H21 Cl4 N9 Zn2 -","- C288 H252 Cl48 N108 Zn24 -","12","0.333333","","Zhu, Guang-Zhou; Li, Chun-Ling; Wang, Ao-Lan; Wang, Shi-Yu; Zou, Dan-Ling; Zhang, Xiao-Jing; Yang, Feng-Lei","Crystal structure of tris(3-(2-pyridyl)pyrazole)zinc(II)tetrachlorido zincate(II), C24H21Cl4N9Zn2","Zeitschrift für Kristallographie - New Crystal Structures","2016","231","1","241","242","10.1515/ncrs-2015-0104","","","0.71073","MoKα","","0.0725","0.0408","","","0.1132","0.1491","","","","","","1.006","","","","has coordinates","281658","2023-03-06","09:12:14",""
"8106839","8.7253","0.0003","8.9973","0.0004","9.3025","0.0004","90.982","0.002","110.76","0.001","94.662","0.002","679.78","0.05","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C12 H20 Cl N5 -","- C12 H20 Cl N5 -","- C24 H40 Cl2 N10 -","2","1","","Ghabbour, Hazem A.; El-Faham, Ayman","Crystal structure of 4-chloro-N,N-diethyl-6-(piperidin-1-yl)-1,3,5-triazin-2-amine, C12H20ClN5","Zeitschrift für Kristallographie - New Crystal Structures","2016","231","1","243","245","10.1515/ncrs-2015-0106","","","0.71073","MoKα","","0.0639","0.0452","","","0.1082","0.1162","","","","","","1.035","","","","has coordinates","281659","2023-03-06","09:15:00",""
"8106840","11.0784","0.0003","14.491","0.0004","7.1565","0.0002","90","","97.668","0.002","90","","1138.61","0.05","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C12 H13 N3 O -","- C12 H13 N3 O -","- C48 H52 N12 O4 -","4","1","","Karczmarzyk, Zbigniew; Pitucha, Monika; Woś, Maciej; Wysocki, Waldemar; Urbańczyk-Lipkowska, Zofia; Morawiak, Maja","The crystal structure of 4-allyl-5-benzyl-2,4-dihydro-3H-1,2,4-triazol-3-one, C12H13N3O","Zeitschrift für Kristallographie - New Crystal Structures","2016","231","1","247","248","10.1515/ncrs-2015-0107","","","1.54178","CuKα","","0.071","0.0432","","","0.1117","0.1328","","","","","","1.041","","","","has coordinates","281660","2023-03-06","09:43:50",""
"8106841","18.983","0.004","5.057","0.001","20.304","0.004","90","","106.1","0.03","90","","1872.7","0.7","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H20 N2 O4 S -","- C19 H20 N2 O4 S -","- C76 H80 N8 O16 S4 -","4","1","","Meng-Xue, Wang; Zheng, Fang; Kai, Guo","Crystal structure of diethyl 2-(((2-(pyridin-3-ylthio)phenyl)amino)methylene)malonate, C19H20N2O4S","Zeitschrift für Kristallographie - New Crystal Structures","2016","231","1","249","250","10.1515/ncrs-2015-0108","","","0.71073","MoKα","","0.1526","0.068","","","0.1179","0.1423","","","","","","1.002","","","","has coordinates","281661","2023-03-06","09:46:56",""
"8106842","8.2805","0.0003","13.7325","0.0005","16.356","0.0006","90","","92.431","0.002","90","","1858.2","0.12","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","<i>fac</i>-[(Tricarbonyl)(2-(isopropylimino)methyl- 5-methylphenolatido)(pyridinyl)rhenium(I)]","","- C19 H19 N2 O4 Re -","- C19 H19 N2 O4 Re -","- C76 H76 N8 O16 Re4 -","4","1","","Marake, Daniel Thabo; Roodt, Andreas; Brink, Alice","Crystal structure of fac-tricarbonyl(2-(isopropylimino)methyl-5-methylphenolatido-κ2 N,O)(pyridine-κN)rhenium(I), C19H19N2O4Re","Zeitschrift für Kristallographie - New Crystal Structures","2016","231","1","251","254","10.1515/ncrs-2015-0110","","","0.71073","MoKα","","0.0423","0.0347","","","","0.093","","","","","","1.027","","","","has coordinates","281662","2023-03-06","09:52:13",""
"8106843","9.638","0.005","9.851","0.005","11.615","0.006","69.149","0.007","67.313","0.006","61.805","0.006","876","0.8","296","2","296","2","","","","","","","","3","P -1","-P 1","2","","","","- C44 H34 S4 -","- C44 H34 S4 -","- C44 H34 S4 -","1","0.5","","Li-Hua, Xu; Zhong-Hai, Ni","Crystal structure of 1,3,6,8-tetrakis(p-tolylthio)pyrene, C44H34S4","Zeitschrift für Kristallographie - New Crystal Structures","2016","231","1","255","257","10.1515/ncrs-2015-0113","","","0.71073","MoKα","","0.0806","0.0529","","","0.1332","0.1467","","","","","","1.021","","","","has coordinates","281663","2023-03-06","10:03:21",""
"8106844","16.387","0.004","12.389","0.003","11.167","0.003","90","","90","","90","","2267.1","1","296","2","296","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C21 H26 Co N2 O9 -","- C21 H26 Co N2 O9 -","- C84 H104 Co4 N8 O36 -","4","1","","Xing-Hong, Chang","Crystal structure of catena-poly-(diaqua-(μ 2-1,2-bis(4-pyridyl)ethene-κ2 N:N′)-(4-methylphthalato-κ2 O,O′)-cobalt(II)trihydrate, C21H26CoN2O9","Zeitschrift für Kristallographie - New Crystal Structures","2016","231","1","259","261","10.1515/ncrs-2015-0114","","","0.71073","MoKα","","0.1187","0.0444","","","0.0666","0.0839","","","","","","0.664","","","","has coordinates","281664","2023-03-06","10:06:14",""
"8106845","9.161","0.005","10.283","0.005","12.974","0.005","87.739","0.005","78.339","0.005","75.047","0.005","1156.3","1","100","2","101","2","","","","","","","","6","P -1","-P 1","2","","","","- C16 H21 F6 N2 O8 Re -","- C16 H21 F6 N2 O8 Re -","- C32 H42 F12 N4 O16 Re2 -","2","1","","Manicum, Amanda-Lee; Schutte-Smith, Marietjie; Visser, Hendrik G.; Pretorius, Carla; Roodt, Andreas","Crystal structure of tetraethylammonium fac-tricarbonyl(hexafluoroacetylacetonato-κ 2O,O′)-(nitrato-κO)rhenium(I), C16H21O8N2F6Re","Zeitschrift für Kristallographie - New Crystal Structures","2016","231","1","263","266","10.1515/ncrs-2015-0115","","","0.71073","MoKα","","0.0434","0.037","","","","0.1012","","","","","","1.008","","","","has coordinates,has disorder","281665","2023-03-06","10:10:35",""
"8106846","10.2852","0.0005","10.1649","0.0005","14.7694","0.0008","90","","107.442","0.002","90","","1473.11","0.13","296","","296","","","","","","","","see text","5","P 1 21/n 1","-P 2yn","14","","","","- C15 H15 N3 O S -","- C15 H15 N3 O S -","- C60 H60 N12 O4 S4 -","4","1","","Barakat, Assem; Shivalingegowda, Naveen; Renuka, Nagamallu; Kariyappa, Ajay Kumar; Abdoh, Muneer; Warad, Ismail; Lokanath, Neratur Krishnappagowda","Crystal structure of 3-(thiophen-2-yl)-5-(p-tolyl)-4,5-dihydro-1H-pyrazole-1-carboxamide","Zeitschrift für Kristallographie - New Crystal Structures","2016","231","1","267","269","10.1515/ncrs-2015-0116","","x-ray","1.54178","CuKα","","0.048","0.0449","","","0.1241","0.1275","","","","","","1.068","","","","has coordinates","281666","2023-03-06","10:13:14",""
"8106847","13.8943","0.0017","10.282","0.0013","14.7986","0.0018","90","","94.241","0.003","90","","2108.4","0.5","273","2","273","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","bis(1-ethyl-3-methylimidazolium) tetrabromidocadmate(II)","","- C12 H22 Br4 Cd N4 -","- C12 H22 Br4 Cd N4 -","- C48 H88 Br16 Cd4 N16 -","4","1","","Gou, Lei; Liu, Dan; Zhao, Kun; Yi-Yang, Mao","Crystal structure of bis(1-ethyl-3-methylimidazolium) tetrabromidocadmate(II), [C6H11N2]2[CdBr4]","Zeitschrift für Kristallographie - New Crystal Structures","2016","231","1","271","272","10.1515/ncrs-2015-0117","","","0.71073","MoKα","","0.0889","0.0477","","","0.1127","0.1332","","","","","","1.007","","","","has coordinates","281667","2023-03-06","10:15:59",""
"8106848","8.0251","0.0007","10.1627","0.0009","17.0686","0.0016","90","","90","","90","","1392.1","0.2","100","2","100","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C16 H19 N3 O -","- C16 H19 N3 O -","- C64 H76 N12 O4 -","4","1","","Al-Abdullah, Ebtehal S.; Ghabbour, Hazem A.; Al-Jabal, Maher M.; Fun, Hoong-Kun; El-Emam, Ali A.","Crystal structure of N′-(adamantan-2-ylidene)-isonicotinohydrazide, C16H19N3O","Zeitschrift für Kristallographie - New Crystal Structures","2016","231","1","273","275","10.1515/ncrs-2015-0118","","","0.71073","MoKα","","0.0712","0.0472","","","0.0961","0.1036","","","","","","1.039","","","","has coordinates","281668","2023-03-06","10:18:53",""
"8106849","8.0756","0.0002","17.4328","0.0004","11.5696","0.0002","90","","106.477","0.001","90","","1561.88","0.06","296","2","296","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C20 H28 Cl2 Co N4 O18 S2 -","- C20 H28 Cl2 Co N4 O18 S2 -","- C40 H56 Cl4 Co2 N8 O36 S4 -","2","0.5","","Zhou, Rong; Jie Liu, An; Zhang, Fan","Crystal structure of trans-tetraaquabis(4-(pyridin-4-ylsulfonyl)pyridine-κN)cobalt(II) diperchlorate dihydrate, C20H28Cl2CoN4O18S2","Zeitschrift für Kristallographie - New Crystal Structures","2016","231","1","277","279","10.1515/ncrs-2015-0119","","","0.71073","MoKα","","0.0562","0.0456","","","0.1222","0.1298","","","","","","1.048","","","","has coordinates","281683","2023-03-07","08:35:52",""
"8106850","10.305","0.003","10.4528","0.0016","10.6351","0.0017","113.368","0.003","101.139","0.004","101.31","0.004","983.4","0.4","295","2","295","2","","","","","","","","4","P -1","-P 1","2","","","","- C23 H21 N3 O2 -","- C23 H21 N3 O2 -","- C46 H42 N6 O4 -","2","1","","Zhang, Bao-Qi; Zhang, Lin; Zhang, Heng-Qiang; Zhao, Cheng-Liang; Chen, Bin","Crystal structure of (Z)-4-(furan-2-yl(p-tolylamino)methylene)-3-methyl-1-p-tolyl-1H-pyrazol-5(4H)-one, C23H21N3O2","Zeitschrift für Kristallographie - New Crystal Structures","2016","231","1","281","283","10.1515/ncrs-2015-0120","","","0.71073","MoKα","","0.1185","0.0559","","","0.1274","0.1607","","","","","","0.997","","","","has coordinates","281684","2023-03-07","08:43:21",""
"8106851","5.6885","0.0003","9.4378","0.0004","15.0736","0.0007","84.037","0.004","81.442","0.004","74.271","0.004","768.56","0.07","100.3","0.7","100.3","0.7","","","","","","","","6","P -1","-P 1","2","","","","- C16 H16 F N3 O S -","- C16 H16 F N3 O S -","- C32 H32 F2 N6 O2 S2 -","2","1","","El-Emam, Ali A.; Ghabbour, Hazem A.; Al-Deeb, Omar A.; Abdelbaky, Mohammed S. M.; García-Granda, Santiago","Crystal structure of 2-[(4-fluorobenzyl)sulfanyl]-4-(2-methylpropyl)-6-oxo-1,6-dihydropyrimidine-5-carbonitrile, C16H16FN3OS","Zeitschrift für Kristallographie - New Crystal Structures","2016","231","1","285","287","10.1515/ncrs-2015-0123","","x-ray","1.5418","CuKα","","0.0581","0.0518","","","0.1363","0.143","","","","","","1.041","","","","has coordinates","281685","2023-03-07","08:49:27",""
"8106852","9.2405","0.0001","10.6952","0.0001","10.8307","0.0001","86.239","0.001","84.014","0.001","81.367","0.001","1051.13","0.018","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C30 H34 La4 O38 -","- C30 H34 La4 O38 -","- C30 H34 La4 O38 -","1","0.5","","Qiao, Wen-Tao; Zhao, Dan; Ma, Fa-Xue","Crystal structure of poly[octaaqua-tris(benzene-1,2,4,5-tetracarboxylato)tetralanthanum(III)] hexahydrate, C30H34La4O38","Zeitschrift für Kristallographie - New Crystal Structures","2016","231","1","289","291","10.1515/ncrs-2015-0125","","","0.71073","MoKα","","0.0487","0.0329","","","0.0659","0.072","","","","","","1.022","","","","has coordinates","281686","2023-03-07","08:54:52",""
"8106853","8.0835","0.0016","17.389","0.004","11.576","0.002","90","","106.59","0.03","90","","1559.4","0.6","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C20 H28 Cl2 N4 O18 S2 Zn -","- C20 H28 Cl2 N4 O18 S2 Zn -","- C40 H56 Cl4 N8 O36 S4 Zn2 -","2","0.5","","Zhou, Rong; Liu, An Jie","Crystal structure of trans-tetraaqua-bis(4,4′-sulfonyldipyridine-κN)zinc(II) diperchlorate dihydrate, C20H28Cl2ZnN4O18S2","Zeitschrift für Kristallographie - New Crystal Structures","2016","231","1","293","294","10.1515/ncrs-2015-0128","","","0.71073","MoKα","","0.0595","0.0506","","","0.1433","0.1508","","","","","","1.079","","","","has coordinates","281687","2023-03-07","08:57:36",""
"8106854","11.7169","0.0018","8.2671","0.0012","28.478","0.004","90","","93.396","0.002","90","","2753.7","0.7","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C5 H3 N O4 S -","- C5 H3 N O4 S -","- C80 H48 N16 O64 S16 -","16","4","","Zhang, Tian; Jia, Yuan-Yuan; Sun, Xiao-Ling","Crystal structure of 4-nitro-thiophene-2-carboxylic acid, a structure with a Z′ = 4, C5H3NO4S","Zeitschrift für Kristallographie - New Crystal Structures","2016","231","1","295","297","10.1515/ncrs-2015-0133","","","0.71073","MoKα","","0.0542","0.0385","","","0.0974","0.1074","","","","","","1.036","","","","has coordinates","281688","2023-03-07","09:01:04",""
"8106855","6.4183","0.0009","11.6262","0.0017","14.454","0.002","90","","90","","90","","1078.6","0.3","173","2","173","2","","","","","","","","3","I b a m","-I 2 2c","72","","dirubidium trimercury(II) tetraselenide","","- Hg3 Rb2 Se4 -","- Hg3 Rb2 Se4 -","- Hg12 Rb8 Se16 -","4","0.25","","Kim, Kang-Woo","Crystal structure of dirubidium trimercury(II) tetraselenide, Rb2Hg3Se4","Zeitschrift für Kristallographie - New Crystal Structures","2016","231","1","299","300","10.1515/ncrs-2015-0138","","","0.71073","MoKα","","0.0503","0.0381","","","0.126","0.1421","","","","","","1.085","","","","has coordinates","281690","2023-03-07","09:05:14",""
"8106856","7.0418","0.0002","10.8802","0.0003","23.5506","0.0006","90","","90","","90","","1804.36","0.08","100.3","0.6","100.3","0.6","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C19 H22 Cl N3 O S -","- C19 H22 Cl N3 O S -","- C76 H88 Cl4 N12 O4 S4 -","4","1","","Al-Alshaikh, Monirah A.; Ghabbour, Hazem A.; Al-Tamimi, Abdul-Malek S.; Abdelbaky, Mohammed S.M.; Garcia-Granda, Santiago; El-Emam, Ali A.","Crystal structure of 5-(adamantan-1-yl)-3-[(4-chloroanilino)methyl]-2,3-dihydro-1,3,4-oxadiazole-2-thione, C19H22ClN3OS","Zeitschrift für Kristallographie - New Crystal Structures","2016","231","1","301","303","10.1515/ncrs-2015-0151","","x-ray","1.54184","CuKα","","0.0416","0.0413","","","0.1106","0.111","","","","","","0.969","","","","has coordinates","281691","2023-03-07","09:09:03",""
"8106857","9.856","0.008","6.582","0.005","18.276","0.013","90","","90","","90","","1185.6","1.6","293","2","293","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C2 H12 Mg N8 O8 -","- C2 H12 Mg N8 O8 -","- C8 H48 Mg4 N32 O32 -","4","0.5","","Xiaojun, Wang; Jin, Shaohua; Li, Lijie; Chen, Shusen; Shu, Qinghai","Crystal structure of hexaaquamagnesium(II) 5,5′-bitetrazole-1,1′-diolate, C2H12N8O8Mg","Zeitschrift für Kristallographie - New Crystal Structures","2016","231","1","305","306","10.1515/ncrs-2015-0155","","","0.71073","MoKα","","0.0263","0.0245","","","0.0682","0.0693","","","","","","1.093","","","","has coordinates","281692","2023-03-07","09:11:58",""
"8106858","17.501","0.008","9.896","0.004","12.768","0.007","90","","124.84","0.11","90","","1815","3","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C20 H14 Ag N5 O3 -","- C20 H14 Ag N5 O3 -","- C80 H56 Ag4 N20 O12 -","4","0.5","","Xu, Guo-Wang; Tao, Hong-Hong; Wang, Zhong-Long","The crystal structure of catena-poly[(μ2-1,1′-benzene-1,4-diylbis(1H-benzimidazole-κ 2 N:N′)silver(I)] nitrate, C20H14N5AgO3","Zeitschrift für Kristallographie - New Crystal Structures","2016","231","1","307","308","10.1515/ncrs-2015-0157","","","0.71073","MoKα","","0.0697","0.0484","","","0.0931","0.1022","","","","","","1.061","","","","has coordinates","281693","2023-03-07","09:15:29",""
"8106859","13.448","0.007","7.6635","0.0005","13.638","0.006","90","","117.14","0.06","90","","1250.8","1.1","104.8","","104.8","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1-(2-(4-chlorophenoxy)-4-chlorophenyl)ethanone","","- C14 H10 Cl2 O2 -","- C14 H10 Cl2 O2 -","- C56 H40 Cl8 O8 -","4","1","","Jianlong, Wang; Lizhen, Chen","The crystal structure of 1-(2-(4-chlorophenoxy)-4-chlorophenyl)ethanone, C14H10Cl2O2","Zeitschrift für Kristallographie - New Crystal Structures","2016","231","1","309","310","10.1515/ncrs-2015-0160","","","0.7107","MoKα","","0.0384","0.0318","","","0.0738","0.0771","","","","","","1.048","","","","has coordinates","281694","2023-03-07","09:34:55",""
"8106860","5.8128","0.0013","17.2389","0.0014","7.1072","0.0006","90","","112.056","0.016","90","","660.07","0.18","103","","103","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","3,5-dinitro-1,3,5-oxadiazinane","","- C3 H6 N4 O5 -","- C3 H6 N4 O5 -","- C12 H24 N16 O20 -","4","1","","Jing, Li; Jianlong, Wang","The crystal structure of 3,5-dinitro-1,3,5-oxadiazinane, C3H6N4O5","Zeitschrift für Kristallographie - New Crystal Structures","2016","231","1","311","312","10.1515/ncrs-2015-0161","","","0.7107","MoKα","","0.0397","0.033","","","0.0801","0.0752","","","","","","1.053","","","","has coordinates","281695","2023-03-07","09:45:30",""
"8106861","7.8956","0.0006","5.8304","0.0004","22.0407","0.0016","90","","91.919","0.003","90","","1014.06","0.13","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C11 H11 N O3 -","- C11 H11 N O3 -","- C44 H44 N4 O12 -","4","1","","Attia, Mohamed I.; Ghabbour, Hazem A.; Fun, Hoong-Kun","Crystal structure of methyl 5-methoxy 1H-indole-2-carboxylate, C11H11NO3","Zeitschrift für Kristallographie - New Crystal Structures","2016","231","1","313","314","10.1515/ncrs-2015-0162","","","0.71073","MoKα","","0.0575","0.0446","","","0.1151","0.1246","","","","","","1.091","","","","has coordinates","281696","2023-03-07","09:49:00",""
"8106862","9.1811","0.0004","16.0396","0.0006","10.133","0.0005","90","","98.64","0.005","90","","1475.26","0.11","294.29","0.1","294.29","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C19 H15 N O3 -","- C19 H15 N O3 -","- C76 H60 N4 O12 -","4","1","","Li, Gang; Zhou, Wei-Min; Zhu, Li-Chun; Wang, Li","Crystal structure of (Z)-1-(((3-acetyl-2-hydroxyphenyl)amino)methylene)naphthalen-2(1H)-one, C19H15NO3","Zeitschrift für Kristallographie - New Crystal Structures","2016","231","1","315","317","10.1515/ncrs-2015-0166","","","0.71073","MoKα","","0.0816","0.0539","","","0.1208","0.1373","","","","","","1.047","","","","has coordinates","281697","2023-03-07","10:04:20",""
"8106863","4.4065","0.0007","12.326","0.002","13.399","0.002","91.807","0.006","96.032","0.006","96.667","0.006","718.1","0.2","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C12 H12 Cl N O2 S3 -","- C12 H12 Cl N O2 S3 -","- C24 H24 Cl2 N2 O4 S6 -","2","1","","Barakat, Assem; Ghabbour, Hazem A.; Al-Majid, Abdullah Mohammed; Said, Mohamed M.; El Tamany, El Sayed H.; Fun, Hoong-Kun","Crystal structure of (Z)-5-(4-chlorobenzylidene)-2-thioxothiazolidin-4-one —dimethylsulfoxide (1:1), C12H12ClNO2S3","Zeitschrift für Kristallographie - New Crystal Structures","2016","231","1","319","320","10.1515/ncrs-2015-0167","","","0.71073","MoKα","","0.0751","0.0668","","","0.1605","0.1644","","","","","","1.16","","","","has coordinates","281698","2023-03-07","10:06:53",""
"8106864","11.0768","0.0004","15.662","0.0005","16.683","0.0005","90","","90","","90","","2894.25","0.16","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C25 H30 Cl2 F3 N5 O6 -","- C25 H30 Cl2 F3 N5 O6 -","- C100 H120 Cl8 F12 N20 O24 -","4","1","","Barakat, Assem; Ghabbour, Hazem A.; Al-Majid, Abdullah Mohammed; Quah, Ching-Kheng; Fun, Hoong-Kun","Crystal structure of 5,5′-((4-(trifluoromethyl)phenyl)methylene)bis(1,3-dimethylpyrimidine-2,4,6(1H,3H,5H)-trione) – diethylamine – dichloromethane (1/1/1) C25H32Cl2F3N5O6","Zeitschrift für Kristallographie - New Crystal Structures","2016","231","1","321","323","10.1515/ncrs-2015-0170","","","0.71073","MoKα","","0.0615","0.0509","","","0.1406","0.1498","","","","","","1.035","","","","has coordinates,has disorder","281699","2023-03-07","10:09:53",""
"8106865","7.71","0.002","5.701","0.002","19.053","0.006","90","","99.031","0.006","90","","827.1","0.4","296","2","296","2","","","","","","","","5","P 1 c 1","P -2yc","7","","","","- C18 H19 N O3 S -","- C18 H19 N O3 S -","- C36 H38 N2 O6 S2 -","2","1","","Dong, Yan","Crystal structure of 2-(dimethylsulfanylidene)-N-(4-methoxyphenyl)-3-oxo-3-phenylpropanamide","Zeitschrift für Kristallographie - New Crystal Structures","2016","231","1","325","327","10.1515/ncrs-2015-0188","","","0.71073","MoKα","","0.0449","0.0361","","","0.0835","0.0885","","","","","","1.043","","","","has coordinates","281700","2023-03-07","10:13:22",""
"8106866","7.3318","0.0007","15.13","0.0015","12.5924","0.0013","90","","90.379","0.002","90","","1396.8","0.2","183","2","183","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","(1,10-Phenanthroline-κ^2^<i>N,N'</i>)bis(thiocyanato-κ<i>N</i>)platinum(II)","","- C14 H8 N4 Pt S2 -","- C14 H8 N4 Pt S2 -","- C56 H32 N16 Pt4 S8 -","4","1","","Ha, Kwang","Crystal structure of (1,10-phenanthroline-κ2 N,N′)bis(thiocyanato-κN)platinum(II), C14H8N4PtS2","Zeitschrift für Kristallographie - New Crystal Structures","2016","231","1","329","330","10.1515/ncrs-2015-0202","","","0.71073","MoKα","","0.0445","0.0349","","","0.0634","0.0668","","","","","","1.169","","","","has coordinates","281701","2023-03-07","10:18:26",""
"8106867","7.2249","0.0006","17.0538","0.0014","8.4291","0.0007","90","","112.211","0.002","90","","961.5","0.14","200","2","200","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","di(μ~2~-chlorido)bis[2-(2-pyridyl)phenyl-κ^2^<i>N,C</i>^1^]dipalladium(II)","","- C22 H16 Cl2 N2 Pd2 -","- C22 H16 Cl2 N2 Pd2 -","- C44 H32 Cl4 N4 Pd4 -","2","0.5","","Ha, Kwang","Crystal structure of di(μ2-chlorido)bis[2-(2-pyridyl)phenyl-κ2 N,C 1]dipalladium(II), C22H16Cl2N2Pd2","Zeitschrift für Kristallographie - New Crystal Structures","2016","231","1","331","332","10.1515/ncrs-2015-0203","","","0.71073","MoKα","","0.0295","0.0217","","","0.0462","0.0496","","","","","","1.237","","","","has coordinates,has disorder","281702","2023-03-07","10:21:04",""
"8106868","5.6549","0.0003","7.021","0.0003","7.7723","0.0004","80.031","0.003","84.601","0.002","89.222","0.002","302.58","0.03","223","2","223","2","","","","","","","","5","P -1","-P 1","2","","<i>trans</i>-dibromidodi(pyridine-κ<i>N</i>)palladium(II)","","- C10 H10 Br2 N2 Pd -","- C10 H10 Br2 N2 Pd -","- C10 H10 Br2 N2 Pd -","1","0.5","","Ha, Kwang","Crystal structure of trans-dibromidodi(pyridine-κN)palladium(II), PdBr2(C5H5N)2","Zeitschrift für Kristallographie - New Crystal Structures","2016","231","1","333","334","10.1515/ncrs-2015-0204","","","0.71073","MoKα","","0.0453","0.0309","","","0.0743","0.0841","","","","","","1.091","","","","has coordinates","281703","2023-03-07","10:24:04",""
"8106869","10.167","0.007","17.57","0.01","19.95","0.01","90","","98.75","0.01","90","","3522","4","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C30 H22 N4 O18 Re2 -","- C30 H16 N4 O18 Re2 -","- C120 H64 N16 O72 Re8 -","4","1","","Schutte-Smith, Marietjie; Visser, Hendrik G.; Roodt, Andreas","Crystal structure of fac-hexacarbonylbisμ2-(3-carboxy-3′-carboxylato-2,2′-bipyridine)-κ3 N,N′:O-dirhenium(I) tetrahydrate, C30H22N4O18Re2","Zeitschrift für Kristallographie - New Crystal Structures","2016","231","2","335","338","10.1515/ncrs-2013-8010","","","0.71073","MoKα","","0.0403","0.028","","","","0.0647","","","","","","1.063","","","","has coordinates,has disorder","281726","2023-03-08","07:59:42",""
"8106870","10.46","0.002","12.653","0.003","17.566","0.003","90","","94.452","0.007","90","","2317.9","0.8","273","2","273","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C25 H36 N4 -","- C25 H36 N4 -","- C100 H144 N16 -","4","1","","Lian, Zhi-Min; Sun, Juan","The crystal structure of bis(4-(2,4-dimethylphenyl)piperazin-1-yl)methane, C25H36N4","Zeitschrift für Kristallographie - New Crystal Structures","2016","231","2","339","341","10.1515/ncrs-2013-8055","","","0.71073","MoKα","","0.0791","0.0489","","","0.1153","0.1325","","","","","","1.032","","","","has coordinates","281727","2023-03-08","08:04:49",""
"8106871","9.0101","0.001","10.9001","0.0012","13.1749","0.0015","76.306","0.001","74.078","0.001","78.373","0.002","1195.9","0.2","298","2","298","2","","","","","","","","7","P -1","-P 1","2","","","","- C48 H42 Ag2 B2 F8 N8 P2 -","- C48 H42 Ag2 B2 F8 N8 P2 -","- C48 H42 Ag2 B2 F8 N8 P2 -","1","0.5","","Wang, Guo; Cui, Yang-Zhe; Qiu, Qi-Ming; Hu, Ke-Yi; Jin, Qiong-Hua","Crystal structure of bis(triphenylphosphine-κP)bis(μ2-1H,1′H-2,2′-biimidazole-κ3 N,N′:N′)disilver(I) bis(tetrafluoroborate), C48H42Ag2B2F8N8P2","Zeitschrift für Kristallographie - New Crystal Structures","2016","231","2","343","345","10.1515/ncrs-2013-8081","","","0.71073","MoKα","","0.0443","0.0316","","","0.0689","0.0771","","","","","","1.055","","","","has coordinates,has disorder","281728","2023-03-08","08:09:52",""
"8106872","11.2912","0.0009","9.4979","0.0006","14.5778","0.001","90","","109.955","0.003","90","","1469.5","0.18","200","2","200","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","bis(pyrazinecarboxylicacid)-<i>ortho</i>-phenylenediamide","1,2-bis(2-pyrazinecarboxamido)-benzene","","- C16 H12 N6 O2 -","- C16 H12 N6 O2 -","- C64 H48 N24 O8 -","4","1","","Habarurema, Gratien; Gerber, Thomas I. A.; Hosten, Eric C.; Betz, Richard","The crystal structure of 1,2-bis(2-pyrazinecarboxamido)-benzene, C16H12N6O2","Zeitschrift für Kristallographie - New Crystal Structures","2016","231","2","347","349","10.1515/ncrs-2014-8191","","","0.71073","MoKα","","0.0743","0.0421","","","0.0928","0.1049","","","","","","1.011","","","","has coordinates","281729","2023-03-08","08:12:46",""
"8106873","5.9992","0.0004","4.7064","0.0004","25.149","0.002","90","","92.283","0.004","90","","709.51","0.1","200","2","200","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","3-bromobenzoic acid","3-bromobenzoic acid","","- C7 H5 Br O2 -","- C7 H5 Br O2 -","- C28 H20 Br4 O8 -","4","1","","Ndima, Lubabalo; Betz, Richard","Redetermination of the crystal structure of 3-bromobenzoic acid, C7H5BrO2","Zeitschrift für Kristallographie - New Crystal Structures","2016","231","2","351","353","10.1515/ncrs-2014-9004","","","0.71073","MoKα","","0.06","0.0363","","","0.0778","0.0857","","","","","","1.02","","","","has coordinates","281730","2023-03-08","08:15:13",""
"8106874","24.6469","0.0009","12.4301","0.0005","25.5369","0.0009","90","","91.016","0.002","90","","7822.3","0.5","200","2","200","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","bis(ethyltriphenylphosphonium) tetrabromidocuprate(II)","bis(ethyltriphenylphosphonium) tetrabromidocuprate(II)","","- C40 H40 Br4 Cu P2 -","- C40 H40 Br4 Cu P2 -","- C320 H320 Br32 Cu8 P16 -","8","2","","Hosten, Eric C.; Betz, Richard","Crystal structure of bis(ethyltriphenylphos-phonium) tetrabromidocuprate(II), (C20H20P)2[CuBr4]","Zeitschrift für Kristallographie - New Crystal Structures","2016","231","2","355","359","10.1515/ncrs-2014-9028","","","0.71069","MoKα","","0.1326","0.0733","","","0.1603","0.1806","","","","","","1.09","","","","has coordinates","281731","2023-03-08","08:39:29",""
"8106875","11.506","0.005","12.176","0.005","11.327","0.005","90","","90","","90","","1586.9","1.2","296","2","296.15","","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C19 H17 Br N2 -","- C19 H17 Br N2 -","- C76 H68 Br4 N8 -","4","0.5","","Yuan, Lin; Li, Zhong-Yan; Zhang, Min; Yuan, Xian-You","Crystal structure of 2-(4-bromophenyl)-1,3-dimethyl-2,3-dihydro-1H-perimidine, C19H17BrN2","Zeitschrift für Kristallographie - New Crystal Structures","2016","231","2","361","363","10.1515/ncrs-2014-9071","","","0.71073","MoKα","","0.0525","0.0409","","","0.096","0.1051","","","","","","1.081","","","","has coordinates","281732","2023-03-08","08:43:18",""
"8106876","10.613","0.008","12.412","0.009","9.217","0.007","90","","113.821","0.009","90","","1110.7","1.4","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H18 Co N12 O2 -","- C22 H18 Co N12 O2 -","- C44 H36 Co2 N24 O4 -","2","0.5","","Liu, Jing","Crystal structure of trans-diaqua-bis(3-(pyrazin-2-yl)-5-(pyridin-4-yl)1,2,4-triazol-1-ido-κ2 N,N′)-cobalt(II),C22H18CoN12O2","Zeitschrift für Kristallographie - New Crystal Structures","2016","231","2","365","367","10.1515/ncrs-2014-9083","","","0.71073","MoKα","","0.0544","0.0429","","","0.1285","0.1435","","","","","","1.044","","","","has coordinates","281733","2023-03-08","08:52:29",""
"8106877","6.211","0.005","7.146","0.005","38.895","0.005","90","0.005","91.283","0.005","90","0.005","1725.9","1.9","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","hexaaquamanganese(II) bis((E)-4-((4-(dimethylamino)phenyl)diazenyl) benzenesulfonate)","","- C28 H40 Mn N6 O12 S2 -","- C28 H40 Mn N6 O12 S2 -","- C56 H80 Mn2 N12 O24 S4 -","2","0.5","","Oh, In-Hwan; Kim, Jee Yeon; Park, Seong-Hun","Crystal structure of hexaaquamanganese(II) bis((E)-4-((4-(dimethylamino)phenyl)diazenyl)benzenesulfonate), C28H40MnN6O12S2","Zeitschrift für Kristallographie - New Crystal Structures","2016","231","2","369","371","10.1515/ncrs-2014-9088","","","0.71069","MoKα","","0.1585","0.0639","","","0.1094","0.1307","","","","","","1.029","","","","has coordinates","281734","2023-03-08","08:56:22",""
"8106878","9.229","0.002","16.995","0.004","11.084","0.003","90","","99.985","0.011","90","","1712.2","0.7","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","butyl-2-(3,5-dimethyl-1,1-dioxido-2H-1,2,6-thiadiazin-4-yl)benzoate","","- C16 H20 N2 O4 S -","- C16 H20 N2 O4 S -","- C64 H80 N8 O16 S4 -","4","1","","Bhatt, Nilay; Samipillai, Marivel; Bhatt, Pralav; Govender, Thavendran; Kruger, Hendrik G.; Maguire, Glenn E.M.","Crystal structure of butyl 2-(3,5-dimethyl-1,1-dioxido-2H-1,2,6-thiadiazin-4-yl)benzoate, C16H20N2O4S","Zeitschrift für Kristallographie - New Crystal Structures","2016","231","2","373","374","10.1515/ncrs-2014-9094","","","0.71073","MoKα","","0.0425","0.0393","","","0.1039","0.1081","","","","","","1.054","","","","has coordinates,has disorder","281735","2023-03-08","08:59:42",""
"8106879","13.458","0.007","14.095","0.008","14.679","0.008","90","","96.535","0.007","90","","2766","3","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C48 H40 Mn4 N24 O16 -","- C48 H40 Mn4 N24 O16 -","- C96 H80 Mn8 N48 O32 -","2","0.5","","Xue-Feng, Wei; Juan, Miao; Ling-Ling, Shi","Crystal structure of hexaaquabis(μ2-3-(6-carboxylatopyridin-2-yl)-5-(pyrazin-2-yl)-1,2,4-triazol-1-ido)bis(μ3-3-(6-carboxylatopyridin-2-yl)-5-(pyrazin-2-yl)-1,2,4-triazol-1-ido)tetra-manganese(II) dihydrate, C48H40Mn4N24O16","Zeitschrift für Kristallographie - New Crystal Structures","2016","231","2","375","377","10.1515/ncrs-2014-9097","","","0.71073","MoKα","","0.1512","0.057","","","0.0989","0.1273","","","","","","1.002","","","","has coordinates","281736","2023-03-08","09:47:23",""
"8106880","9.5489","0.0005","9.7236","0.0005","11.82","0.0006","110.012","0.003","93.335","0.003","91.943","0.003","1027.78","0.09","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C38 H50 Cd N8 O10 -","- C38 H50 Cd N8 O10 -","- C38 H50 Cd N8 O10 -","1","0.5","","Ju, Feng-Yang; Li, Yun-Ping; Li, Gui-Lian","Crystal structure of catena-poly[diaqua-bis(μ2-1,3-di(pyridin-4-yl)propane-κ 2 N:N′)cadmate(II)] bis(2-aminoisonicotinate) tetrahydrate, C38H50CdN8O10","Zeitschrift für Kristallographie - New Crystal Structures","2016","231","2","379","381","10.1515/ncrs-2014-9100","","","0.71073","MoKα","","0.0394","0.034","","","0.0758","0.0783","","","","","","0.973","","","","has coordinates","281737","2023-03-08","09:50:04",""
"8106881","7.3024","0.0006","10.7115","0.0007","11.2743","0.0006","109.491","0.005","100.496","0.005","107.86","0.005","750.44","0.1","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C15 H16 N2 O4 S -","- C15 H16 N2 O4 S -","- C30 H32 N4 O8 S2 -","2","1","","Wang, Zhi-Peng; Zhang, Fan; Zhang, Qi-Qi; Sun, Xin-Zhan","Crystal structure of succinic acid — 4-((pyridin-4-ylmethyl)sulfanylpyridine (1/1), C15H16N2O4S","Zeitschrift für Kristallographie - New Crystal Structures","2016","231","2","383","384","10.1515/ncrs-2014-9122","","","0.71073","MoKα","","0.1358","0.0691","","","0.1739","0.2136","","","","","","1.079","","","","has coordinates","281738","2023-03-08","09:53:59",""
"8106882","8.7209","0.0005","12.9753","0.0007","14.768","0.0008","84.584","0.004","89.392","0.004","87.913","0.004","1662.49","0.16","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C30 H32 Cu2 N4 O8 S2 -","- C30 H32 Cu2 N4 O8 S2 -","- C60 H64 Cu4 N8 O16 S4 -","2","1","","Han, Shu-Yan; Zhang, Fan; Feng, San-Yang; Chen, Wen-Hua; Yan, Hao-Jie","Crystal structure of tetrakis(μ2-acetato-κ2 O:O′)bis(2-((pyridin-4-ylmethyl)sulfanyl)pyridine-κN)dicopper(II), C30H32N4O8S2Cu2","Zeitschrift für Kristallographie - New Crystal Structures","2016","231","2","385","387","10.1515/ncrs-2014-9123","","","0.71073","MoKα","","0.0728","0.0469","","","0.1102","0.1252","","","","","","1.034","","","","has coordinates","281739","2023-03-08","09:57:47",""
"8106883","7.9928","0.0016","8.7582","0.0018","11.692","0.002","97","0.03","105.63","0.03","99.16","0.03","766.4","0.3","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C18 H19 N O3 -","- C18 H19 N O3 -","- C36 H38 N2 O6 -","2","1","","Fu, Ying; Wang, Yun-Kai; Yang, Fei; Ye, Fei","Crystal structure of 1-((2R,3S)-2,3-dimethyl-2,3-dihydro-4H-benzo[b][1,4]oxazin-4-yl)-2-phenoxyethan-1-one, C18H19NO3","Zeitschrift für Kristallographie - New Crystal Structures","2016","231","2","389","391","10.1515/ncrs-2014-9124","","","0.71073","MoKα","","0.0582","0.0447","","","0.1235","0.1313","","","","","","1.026","","","","has coordinates","281740","2023-03-08","10:00:21",""
"8106884","12.5603","0.0019","11.5744","0.0017","8.9054","0.0011","90","","90","","90","","1294.6","0.3","296","2","296","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C10 H18 N2 O3 S -","- C10 H18 N2 O3 S -","- C40 H72 N8 O12 S4 -","4","1","","Wang, Peizhi; Zeng, Huahui; Wu, Xiangxiang","Crystal structure of tetramethylammonium sulfanilate, C10H18N2O3S","Zeitschrift für Kristallographie - New Crystal Structures","2016","231","2","393","394","10.1515/ncrs-2014-9139","","","0.71073","MoKα","","0.062","0.0406","","","0.1007","0.1122","","","","","","1.025","","","","has coordinates","281741","2023-03-08","10:04:21",""
"8106885","8.3727","0.0006","9.7374","0.0007","12.3559","0.0008","80.826","0.004","73.432","0.004","75.425","0.004","930.28","0.11","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C20 H25 N O4 -","- C20 H25 N O4 -","- C40 H50 N2 O8 -","2","1","","Hou, Yimin; Zeng, Huahui; Wu, Xiangxiang","Crystal structure of triethylammonium 2′-carboxy-[1,1′-biphenyl]-2-carboxylate, C20H25NO4","Zeitschrift für Kristallographie - New Crystal Structures","2016","231","2","395","397","10.1515/ncrs-2014-9140","","","0.71073","MoKα","","0.0602","0.0454","","","0.1253","0.1374","","","","","","1.052","","","","has coordinates,has disorder","281742","2023-03-08","10:07:43",""
"8106886","13.6464","0.0002","18.1592","0.0003","13.9829","0.0002","90","","107.557","0.001","90","","3303.66","0.09","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","2-(4-acetyl-2,6-dimethylphenyl)-5,6-dichloro-1H-isoindole-1,3(2H)-dione","2-(4-acetyl-2,6-dimethylphenyl)-5,6-dichloro-1H-isoindole-1,3(2H)-dione","","- C18 H13 Cl2 N O3 -","- C18 H13 Cl2 N O3 -","- C144 H104 Cl16 N8 O24 -","8","2","","Li, Feng-cui; Shi, Qi-lin; Zhou, Xiao-hu; Ren, Yang; Xu, Hai","Crystal structure of 2-(4-acetyl-2,6-dimethylphenyl)-5,6-dichloro-1H-isoindole-1,3(2H)-dione, C18H13Cl2NO3","Zeitschrift für Kristallographie - New Crystal Structures","2016","231","2","399","401","10.1515/ncrs-2015-0021","","","0.71073","MoKα","","0.0334","0.0291","","","0.0734","0.0768","","","","","","1.021","","","","has coordinates","281743","2023-03-08","10:10:12",""
"8106887","10.3597","0.0015","10.3597","0.0015","32.729","0.01","90","","90","","90","","3512.6","1.3","296","2","296","2","","","","","","","","6","I 41/a :2","-I 4ad","88","","","","- C14 H16 Cl N2 Nd O8 -","- C14 H16 Cl N2 Nd O8 -","- C112 H128 Cl8 N16 Nd8 O64 -","8","0.5","","Li, Rong-Fang; Li, Jin; Wang, Ke-Qiang; Huo, Su Zhen","Crystal structure of diaqua-bis(μ3-2-methyl-6-oxidopyridinium-4-carboxylato-κ3 O:O′:O′′)neodymium(III) chloride, C14H16ClN2O8Nd","Zeitschrift für Kristallographie - New Crystal Structures","2016","231","2","403","404","10.1515/ncrs-2015-0024","","","0.71073","MoKα","","0.0313","0.0234","","","0.0588","0.0625","","","","","","0.998","","","","has coordinates","281744","2023-03-08","10:13:00",""
"8106888","10.48","0.003","14.608","0.004","8.3398","0.0017","90","","106.753","0.018","90","","1222.6","0.6","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C12 H15 N3 O2 -","- C12 H15 N3 O2 -","- C48 H60 N12 O8 -","4","1","","Lei, Chao; Shen-Tu, Chao; Wu, Hong-Ke; Liu, Xing-Hai","Crystal structure of 5-methoxy-4-methyl-2-(2-methylbenzyl)-2,4-dihydro-3H-1,2,4-triazol-3-one, C12H15N3O2","Zeitschrift für Kristallographie - New Crystal Structures","2016","231","2","405","406","10.1515/ncrs-2015-0026","","","0.71073","MoKα","","0.1333","0.07","","","0.1896","0.2377","","","","","","0.923","","","","has coordinates","281745","2023-03-08","10:15:11",""
"8106889","7.8485","0.0008","8.042","0.0008","8.8701","0.0009","107.434","0.001","106.307","0.001","101.971","0.001","485.98","0.09","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","1-(4-(2-chloroethoxy)phenyl)ethanone","","- C10 H11 Cl O2 -","- C10 H11 Cl O2 -","- C20 H22 Cl2 O4 -","2","1","","Li, Meng; Bai, XueFeng; Hou, YanJun","The crystal structure of 1-(4-(2-chloroethoxy)phenyl)ethanone","Zeitschrift für Kristallographie - New Crystal Structures","2016","231","2","407","408","10.1515/ncrs-2015-0041","","","0.71073","MoKα","","0.0571","0.0513","","","0.1351","0.1405","","","","","","1.045","","","","has coordinates","281746","2023-03-08","10:18:08",""
"8106890","8.402","0.002","9.035","0.002","11.692","0.003","102.382","0.004","109.303","0.004","97.122","0.004","799.7","0.3","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","(E)-4-(2-(4-(diethylamino)phenyl)diazen-1-ium-1-yl)benzenesulfonate monohydrate","","- C16 H21 N3 O4 S -","- C16 H21 N3 O4 S -","- C32 H42 N6 O8 S2 -","2","1","","Oh, In-Hwan; Park, Seong-Hun","Crystal structure of (E)-4-(2-(4-(diethylamino)phenyl)diazen-1-ium-1-yl)benzenesulfonate monohydrate","Zeitschrift für Kristallographie - New Crystal Structures","2016","231","2","409","410","10.1515/ncrs-2015-0042","","","0.71073","MoKα","","0.0552","0.041","","","0.1078","0.1172","","","","","","1.052","","","","has coordinates","281763","2023-03-09","09:15:52",""
"8106891","5.668","0.002","23.957","0.009","10.16","0.004","90","","100.215","0.004","90","","1357.7","0.9","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C9 H10 N4 S4 -","- C9 H10 N4 S4 -","- C36 H40 N16 S16 -","4","1","","Du, Xi-Gang; Wang, Chun-Wei","Crystal structure of 2,2′-[(1E)-prop-1-ene-1,2-diyldisulfanediyl]bis(5-methyl-2,5-dihydro-1,3,4-thiadiazole, C9H10N4S4","Zeitschrift für Kristallographie - New Crystal Structures","2016","231","2","411","412","10.1515/ncrs-2015-0049","","","0.71073","MoKα","","0.0542","0.0356","","","0.0807","0.0901","","","","","","1.03","","","","has coordinates","281764","2023-03-09","09:23:12",""
"8106892","10.5139","0.0013","12.5642","0.0015","10.4197","0.0013","90","","93.813","0.001","90","","1373.4","0.3","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C10 H13 Ce O9 -","- C10 H11 Ce O9 -","- C40 H44 Ce4 O36 -","4","1","","Zhang, Rui; Li, Shi-Hui","Crystal structure of poly [μ2-acetato-κ3-O,O′:O′)diaqua(μ3-isophthalato-κ4 O,O′:O′′:O′′′)cerium(III)] monohydrate (C10H13O9Ce)","Zeitschrift für Kristallographie - New Crystal Structures","2016","231","2","413","414","10.1515/ncrs-2015-0068","","","0.71073","MoKα","","0.0216","0.0196","","","0.047","0.048","","","","","","1.066","","","","has coordinates","281765","2023-03-09","09:33:12",""
"8106893","8.469","0.003","19.345","0.006","19.517","0.006","90","","95.337","0.005","90","","3183.7","1.8","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C36 H27 N7 O3 -","- C36 H27 N7 O3 -","- C144 H108 N28 O12 -","4","1","","Yin, Xiao-Gang; Zuo, Zhen-Yu; Chen, Zhi-Ming; Gong, Wei; Chen, Zhuo","Crystal structure of tris((2-(2,2-dicyanovinyl)phenoxy)ethyl)amine, C36H27N7O3","Zeitschrift für Kristallographie - New Crystal Structures","2016","231","2","415","417","10.1515/ncrs-2015-0072","","","0.71073","MoKα","","0.1444","0.0538","","","0.0958","0.1187","","","","","","0.87","","","","has coordinates","281766","2023-03-09","09:36:15",""
"8106894","8.033","0.004","9.641","0.005","10.724","0.005","77.318","0.005","68.181","0.005","69.813","0.005","719.7","0.6","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","catena[diaqua-(bis(μ~2~-1,3-bis((1<i>H</i>tetrazol-1-yl) methyl)benzene-κ^2^<i>N</i>:<i>N</i>')copper(II)] dinitrate","","- C20 H24 Cu N18 O8 -","- C20 H24 Cu N18 O8 -","- C20 H24 Cu N18 O8 -","1","0.5","","Yang, Zhi-Jun; Ni, Tian-Jun; He, Guang-Jie","Crystal structure of catena[diaqua-bis(μ 2-1,3-bis((1H-tetrazol-1-yl)methyl)benzene-κ2 N:N′)copper(II)] dinitrate, C20H24CuN18O8","Zeitschrift für Kristallographie - New Crystal Structures","2016","231","2","419","421","10.1515/ncrs-2015-0077","","","0.71073","MoKα","","0.0311","0.0292","","","0.0726","0.074","","","","","","1.015","","","","has coordinates","281767","2023-03-09","09:49:49",""
"8106895","12.6344","0.0008","9.7274","0.0006","15.7567","0.001","90","","109.063","0.001","90","","1830.3","0.2","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H15 Ag N4 O4 -","- C20 H15 Ag N4 O4 -","- C80 H60 Ag4 N16 O16 -","4","1","","Sheng, Liang-Quan","Crystal structure of (4-(1H-imidazol-5-yl)benzoic acid-κN) (4-(1H-imidazol-5-yl)benzoato-κN)silver(I), C20H15N4O4Ag","Zeitschrift für Kristallographie - New Crystal Structures","2016","231","2","423","425","10.1515/ncrs-2015-0087","","","0.71073","MoKα","","0.0328","0.0244","","","0.0632","0.0674","","","","","","1.048","","","","has coordinates","281768","2023-03-09","09:52:31",""
"8106896","9.5271","0.0008","17.2629","0.0009","10.556","0.0009","90","","113.526","0.004","90","","1591.8","0.2","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H15 F3 N2 O2 -","- C18 H15 F3 N2 O2 -","- C72 H60 F12 N8 O8 -","4","1","","Meng, Qinghua; Zhang, Shuan","Crystal structure of 2-amino-3-cyano-7,7-dimethyl-5-oxo-4-(3,4,5-trifluorophenyl)-4H-5,6,7,8-tetrahydrobenzo[b]pyran, C18H15F3N2O2","Zeitschrift für Kristallographie - New Crystal Structures","2016","231","2","427","428","10.1515/ncrs-2015-0091","","","0.71073","MoKα","","0.0441","0.0417","","","0.1177","0.1203","","","","","","1.008","","","","has coordinates","281769","2023-03-09","09:56:28",""
"8106897","14.201","0.0008","24.4565","0.0015","7.8551","0.0005","90","","90","","90","","2728.1","0.3","296","2","296","2","","","","","","","","4","P c c n","-P 2ab 2ac","56","","","","- C26 H36 Cl2 O7 -","- C26 H36 Cl2 O7 -","- C104 H144 Cl8 O28 -","4","0.5","","Yuan, Lin; Zhang, Xing-Yu; Yuan, Xian-You","Crystal structure of (2-(2-chlorophenyl)-5-ethyl-1,3-dioxan-5-yl)methanol hemihydrate, C13H17ClO3 · 0.5 H2O","Zeitschrift für Kristallographie - New Crystal Structures","2016","231","2","429","430","10.1515/ncrs-2015-0109","","","0.71073","MoKα","","0.0561","0.0434","","","0.1164","0.1291","","","","","","1.067","","","","has coordinates","281770","2023-03-09","10:16:36",""
"8106898","7.6409","0.0015","10.438","0.002","11.246","0.002","90.86","0.03","107.87","0.03","100.22","0.03","837.8","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H30 N10 O12 Zn -","- C30 H30 N10 O12 Zn -","- C30 H30 N10 O12 Zn -","1","0.5","","Jian, Shou-Jun; Liang, Zhen; Yang, Yan-Qiu; Yang, Huai-Xia","Crystal structure of catena-poly[diaqua-bis(benzene-1,2,4,5-tetracarboxylato-κN)(m2-2-(1H-1,2,4-trizol-1-ylmethyl)-1H-3,1-benzimidazol-3-ium-κ2 O:O′)zinc(II)] dihydrate, C30H30N10O12Zn","Zeitschrift für Kristallographie - New Crystal Structures","2016","231","2","431","433","10.1515/ncrs-2015-0111","","","0.71073","MoKα","","0.042","0.0377","","","0.0793","0.0819","","","","","","0.989","","","","has coordinates","281771","2023-03-09","10:19:54",""
"8106899","10.986","0.005","10.986","0.005","18.187","0.008","90","","90","","90","","2195","1.7","293","2","293","2","","","","","","","","5","P 41 21 2","P 4abw 2nw","92","","","","- C28 H22 N2 O4 Zn -","- C28 H22 N2 O4 Zn -","- C112 H88 N8 O16 Zn4 -","4","0.5","","Xu, Qiang; Li, Guo Qiang; Meng, Jiang Ping; He, Jia Hong","Crystal structure of [2,2′-((((ethane-1,2-diylbis(oxy-κ2 O,O′))bis(2,1-phenylene))bis(azanylylidene-κ2 N,N′))bis(methanylylidene))diphenolato-κ2 O′′,O′′′]zinc(II), C28H22N2O4Zn","Zeitschrift für Kristallographie - New Crystal Structures","2016","231","2","435","436","10.1515/ncrs-2015-0112","","","0.71073","MoKα","","0.0668","0.044","","","0.0872","0.0942","","","","","","1.071","","","","has coordinates","281772","2023-03-09","10:22:06",""
"8106900","7.7486","0.0004","8.5148","0.0003","19.9822","0.0009","90","","100.341","0.002","90","","1296.97","0.1","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C13 H17 N O3 -","- C13 H17 N O3 -","- C52 H68 N4 O12 -","4","1","","Ghorab, Mostafa M.; Alsaid, Mansour S.; Ghabbour, Hazem A.; Fun, Hoong-Kun","Crystal structure of (E)-1-(3,4-dimethoxyphenyl)-3-(dimethylamino)prop-2-en-1-one, C13H17NO3","Zeitschrift für Kristallographie - New Crystal Structures","2016","231","2","437","438","10.1515/ncrs-2015-0121","","","0.71073","MoKα","","0.0936","0.062","","","0.1574","0.1814","","","","","","1.047","","","","has coordinates","281773","2023-03-09","10:29:04",""
"8106901","9.0557","0.0019","9.2766","0.0017","12.641","0.003","109.115","0.011","97.058","0.011","108.767","0.011","918.6","0.4","173.15","","173.15","","","","","","","","","5","P -1","-P 1","2","","","","- C20 H10 F2 N2 O8 -","- C20 H10 F2 N2 O8 -","- C40 H20 F4 N4 O16 -","2","1","","Chen, Wei; Ji, Mian; Yang, Shiyong","Crystal structure of bis(2-fluoro-4-nitrophenyl) terephthalate C20H10F2N2O8","Zeitschrift für Kristallographie - New Crystal Structures","2016","231","2","439","440","10.1515/ncrs-2015-0122","","","0.71073","MoKα","","0.0582","0.0537","","","0.1381","0.1416","","","","","","1.134","","","","has coordinates","281774","2023-03-09","10:31:23",""
"8106902","9.6432","0.001","8.8336","0.001","42.379","0.005","90","","92.053","0.001","90","","3607.7","0.7","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C42 H36 Mn N4 O9 -","- C42 H36 Mn N4 O9 -","- C168 H144 Mn4 N16 O36 -","4","1","","Wei-Dong, Yin; Gui-Lian, Li","Crystal structure of catena-[aqua((4-carboxyphenyl)acetato-κO)(μ2-(4-carboxyphenyl)acetato-κ2 O:O′)bis(4,4′-ethene-1,2-diyldipyridine-κN)manganese(II)], C42H36N4O9Mn","Zeitschrift für Kristallographie - New Crystal Structures","2016","231","2","441","444","10.1515/ncrs-2015-0124","","","0.71073","MoKα","","0.0766","0.0434","","","0.0789","0.091","","","","","","1.029","","","","has coordinates","281775","2023-03-09","10:34:10",""
"8106903","8.2642","0.0004","6.0481","0.0003","25.6897","0.0011","90","","95.319","0.003","90","","1278.51","0.1","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H15 N3 O2 -","- C14 H15 N3 O2 -","- C56 H60 N12 O8 -","4","1","","Qiao, Wen-Tao; Li, Hai-Yan; Wang, Yuan","Crystal structure of N′-(2-hydroxybenzylidene)-3,4-dimethyl-1H-pyrrole-2-carbohydrazide, C14H15N3O2","Zeitschrift für Kristallographie - New Crystal Structures","2016","231","2","445","446","10.1515/ncrs-2015-0127","","","0.71073","MoKα","","0.121","0.0493","","","0.1132","0.1398","","","","","","1.003","","","","has coordinates","281776","2023-03-09","10:36:30",""
"8106904","5.2227","0.0001","10.9412","0.0001","16.7603","0.0002","96.292","0.001","95.972","0.001","100.01","0.001","930.02","0.02","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C36 H42 Cu N10 O12 -","- C36 H42 Cu N10 O12 -","- C36 H42 Cu N10 O12 -","1","0.5","","Zhu, Ling; Zhou, Tian","Crystal structure of bis(8-ethyl-5-oxo-2-(piperazin-4-ium-1-yl)-5,8-dihydropyrido[2,3-d]pyrimidine-6-carboxylato-κ2 O,O′)copper(II) benzene-1,4-dicarboxylate dihydrate, C36H42CuN10O12","Zeitschrift für Kristallographie - New Crystal Structures","2016","231","2","447","449","10.1515/ncrs-2015-0130","","","0.71073","MoKα","","0.0577","0.0494","","","0.1344","0.1543","","","","","","1.189","","","","has coordinates","281777","2023-03-09","10:39:02",""
"8106905","9.4907","0.0015","11.6769","0.0019","13.905","0.002","110.882","0.002","101.247","0.002","92.841","0.002","1400.1","0.4","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C60 H56 F2 N6 O16 Zn2 -","- C60 H56 F2 N6 O16 Zn2 -","- C60 H56 F2 N6 O16 Zn2 -","1","0.5","","An, Zhe; Zhu, Ling; Zhao, Xin-Hua","Crystal structure of diaquabis(μ2-biphenyl-2,2′-dicarboxylato-κ2 O:O′)bis(1-ethyl-6-fluoro-1,4-dihydro-4-oxo-7-(1-piperazinyl)-3-quinolinecarboxylato)zinc(II), C60H56N6Zn2O16F2","Zeitschrift für Kristallographie - New Crystal Structures","2016","231","2","451","453","10.1515/ncrs-2015-0131","","","0.71073","MoKα","","0.0452","0.0328","","","0.0872","0.1104","","","","","","1.148","","","","has coordinates","281778","2023-03-09","10:41:07",""
"8106906","13.2587","0.0016","10.8816","0.0011","19.75","0.003","90","","101.803","0.012","90","","2789.2","0.6","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C16 H13 F N2 O2 -","- C16 H13 F N2 O2 -","- C128 H104 F8 N16 O16 -","8","1","","Meng, Xian-Fang; Liu, Li-Zeng; Bai, Zheng-Chen","Crystal structure of 2-amino-4-(4-fluorophenyl)-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile, C16H13FN2O2","Zeitschrift für Kristallographie - New Crystal Structures","2016","231","2","455","456","10.1515/ncrs-2015-0134","","","0.71073","MoKα","","0.0623","0.0423","","","0.102","0.1158","","","","","","1.018","","","","has coordinates","281798","2023-03-10","08:59:22",""
"8106907","10.56","0.005","31.243","0.005","12.383","0.004","90","","116.51","0.03","90","","3656","2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C60 H76 Gd2 N18 O32 -","- C60 H76 Gd2 N18 O32 -","- C120 H152 Gd4 N36 O64 -","2","0.5","","Chen, Qifan; Huang, Fang; Quan, Wenjing; Lu, Yanhua; Zhang, Fang; Liu, Fei","The crystal structure of hexaqua(μ2-3-(3-(pyridin-4-yl)-1,2,4-oxadiazol-5-yl)propanoato-1κ2 O,O′;2κO′)(3-(3-(pyridin-4-yl)-1,2,4-oxadiazol-5-yl)propanoato-κO)(3-(3-(pyridin-4-yl)-1,2,4-oxadiazol-5-yl)propanoato-κ2 O,O′)digadolinium(III) octahydrate, C60H76Gd2N18O32","Zeitschrift für Kristallographie - New Crystal Structures","2016","231","2","457","460","10.1515/ncrs-2015-0136","","","0.71069","MoKα","","0.0586","0.047","","","0.0947","0.1013","","","","","","1.098","","","","has coordinates","281799","2023-03-10","09:11:58",""
"8106908","12.165","0.008","19.027","0.011","18.848","0.014","90","","108.735","0.002","90","","4131","5","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C43 H34 N O8 P Re2 S2 -","- C43 H34 N O8 P Re2 S2 -","- C172 H136 N4 O32 P4 Re8 S8 -","4","1","","Nkoe, Pheello Isaac; Koen, Renier; Brink, Alice; Schutte-Smith, Marietjie","Crystal structure of hexacarbonyl bis(μ2-2-methoxybenzenethiolato-κ2 S)pyridine(triphenylphosphane)dirhenium(I), C43H34NO8PS2Re2","Zeitschrift für Kristallographie - New Crystal Structures","2016","231","2","461","464","10.1515/ncrs-2015-0139","","","0.71073","MoKα","","0.0483","0.0308","","","","0.0683","","","","","","1.038","","","","has coordinates","281800","2023-03-10","09:16:23",""
"8106909","11.7112","0.0008","10.0135","0.0005","14.6411","0.001","90","","104.21","0.007","90","","1664.43","0.19","293.33","0.1","293.33","0.1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C34 H49 N O6 S -","- C34 H49 N O6 S -","- C68 H98 N2 O12 S2 -","2","1","","Shang, Ruofeng; Yi, Yunpeng; Liang, Jianping","Crystal structure of 14-((1-(benzyloxycarbonyl-amino)-2-methylpropan-2-yl)sulfanyl)acetate Mutilin, C34H49NO6S","Zeitschrift für Kristallographie - New Crystal Structures","2016","231","2","465","467","10.1515/ncrs-2015-0142","","x-ray","0.71073","MoKα","","0.1382","0.0659","","","0.1174","0.1593","","","","","","1.028","","","","has coordinates","281801","2023-03-10","09:20:17",""
"8106910","10.2246","0.0007","21.2529","0.0007","10.6924","0.0006","90","","116.99","0.008","90","","2070.4","0.2","102","","102","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","2-methoxy-6-(((2-(1-methyl-1H-benzo[d] imidazol-2-yl)phenyl) imino)methyl)phenol - ethanol (1/1)","","- C24 H25 N3 O3 -","- C24 H25 N3 O3 -","- C96 H100 N12 O12 -","4","1","","Zhang, Dong-Mei; Zhou, Ting-Ting; Li, Jia-Wen; Zhang, Fan","Crystal structure of 2-methoxy-6-(((2-(1-methyl-1H-benzo[d] imidazol-2-yl)phenyl)imino)methyl)phenol — ethanol (1/1), C24H25N3O3","Zeitschrift für Kristallographie - New Crystal Structures","2016","231","2","469","471","10.1515/ncrs-2015-0143","","","0.7107","MoKα","","0.076","0.0499","","","0.1015","0.1155","","","","","","1.033","","","","has coordinates","281802","2023-03-10","09:23:37",""
"8106911","8.097","0.0009","8.8152","0.001","9.8217","0.001","76.269","0.005","69.539","0.004","82.065","0.005","636.87","0.12","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C13 H14 O2 S2 -","- C13 H14 O2 S2 -","- C26 H28 O4 S4 -","2","1","","Mabkhot, Yahia N.; Barakat, Assem; Al-Showiman, Salim S.; Soliman, Saied M.; Frey, Wolfgang; Ghabbour, Hazem A.","Crystal structure of 2-(bis(methylthio)methylene)-1-phenylbutane-1,3-dione, C13H14O2S2","Zeitschrift für Kristallographie - New Crystal Structures","2016","231","2","473","474","10.1515/ncrs-2015-0144","","","0.71073","MoKα","","0.0291","0.0264","","","0.0714","0.0729","","","","","","1.052","","","","has coordinates","281803","2023-03-10","09:48:01",""
"8106912","10.6164","0.0009","8.4131","0.0006","20.2448","0.0016","90","","100.021","0.004","90","","1780.6","0.2","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C19 H20 N2 O S2 -","- C19 H20 N2 O S2 -","- C76 H80 N8 O4 S8 -","4","1","","Mabkhot, Yahia N.; Barakat, Assem; Al-Showiman, Salim S.; Soliman, Saied M.; Frey, Wolfgang; Ghabbour, Hazem A.","Crystal structure of (E)-2-(bis(methylthio)methylene)-1-phenyl-3-(2-phenylhydrazono)butan-1-one, C19H20N2OS2","Zeitschrift für Kristallographie - New Crystal Structures","2016","231","2","475","476","10.1515/ncrs-2015-0145","","","0.71073","MoKα","","0.0351","0.0288","","","0.0779","0.081","","","","","","1.066","","","","has coordinates","281804","2023-03-10","09:52:14",""
"8106913","10.1222","0.0005","18.6435","0.001","7.619","0.0004","90","","90","","90","","1437.81","0.13","101.8","","101.8","","","","","","","","","5","P n a 21","P 2c -2n","33","","dichlorido(2-(1-methyl-1<i>H</i>benzo[d]imidazol-2-yl)aniline-κ^2^<i>N</i>, <i>N</i>')zinc(II), C~14~H~13~Cl~2~N~3~Zn","","- C14 H13 Cl2 N3 Zn -","- C14 H13 Cl2 N3 Zn -","- C56 H52 Cl8 N12 Zn4 -","4","1","","Zhou, Ting-Ting; Zhang, Dong-Mei; Li, Jia-Wen; Zhang, Fan","Crystal structure of dichlorido(2-(1-methyl-1H-benzo[d]imidazol-2-yl)aniline-κ2 N,N′)zinc(II)","Zeitschrift für Kristallographie - New Crystal Structures","2016","231","2","477","478","10.1515/ncrs-2015-0146","","","0.7107","MoKα","","0.0486","0.0407","","","0.0741","0.078","","","","","","1.036","","","","has coordinates","281805","2023-03-10","09:55:46",""
"8106914","11.8083","0.001","5.6681","0.0005","7.689","0.0007","90","","95.299","0.001","90","","512.43","0.08","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C4 H6 Hg N8 S2 -","- C4 H6 Hg N8 S2 -","- C8 H12 Hg2 N16 S4 -","2","0.5","","Liu, Gang; Zhang, Shuang","Crystal structure of bis(1-methyl-1H-tetrazole-5-thiolato)mercury(II)","Zeitschrift für Kristallographie - New Crystal Structures","2016","231","2","479","480","10.1515/ncrs-2015-0147","","","0.71073","MoKα","","0.0226","0.0193","","","0.0566","0.0583","","","","","","1.082","","","","has coordinates","281806","2023-03-10","10:02:09",""
"8106915","8.6762","0.0009","12.4684","0.0012","19.256","0.002","90","","97.496","0.006","90","","2065.3","0.4","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C24 H19 Fe N3 O2 S -","- C24 H19 Fe N3 O2 S -","- C96 H76 Fe4 N12 O8 S4 -","4","1","","Wang, Lu-Yao; Guo, Xiao-Long; Li, Lu","Crystal structure of (E)-2-styryl-1-ferrocenylsulfonyl-1H-imidazo[4,5-b]pyridine, C24H19FeN3O2S","Zeitschrift für Kristallographie - New Crystal Structures","2016","231","2","481","483","10.1515/ncrs-2015-0148","","","0.71073","MoKα","","0.0394","0.0302","","","0.0749","0.0794","","","","","","1.034","","","","has coordinates","281807","2023-03-10","10:05:09",""
"8106916","15.6688","0.0005","14.2411","0.0004","22.0126","0.001","90","","124.327","0.003","90","","4056.4","0.3","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C40 H46 Cu F2 N6 O14 S -","- C40 H46 Cu F2 N6 O14 S -","- C160 H184 Cu4 F8 N24 O56 S4 -","4","1","","Fan, Zhuo-Wen; Li, Long; Wang, Liang-Liang; Liu, Ji-Zhi","Crystal structure of aquabis(1-cyclopropyl-6-fluoro-4-oxo-7-(piperazin-4-ium-1-yl)-1,4-dihydroquinoline-3-carboxylato-κ2 O,O′)copper(II) thiophene-2,5-dicarboxylate trihydrate, [Cu(C17H18N3FO3)2(H2O)](C6H2SO4)·3(H2O)","Zeitschrift für Kristallographie - New Crystal Structures","2016","231","2","485","487","10.1515/ncrs-2015-0149","","","0.71073","MoKα","","0.0618","0.0436","","","0.104","0.1175","","","","","","1.027","","","","has coordinates","281808","2023-03-10","10:08:04",""
"8106917","8.5266","0.0007","11.2217","0.0009","11.5785","0.0009","113.355","0.008","103.305","0.007","98.461","0.007","953.91","0.16","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H16 Cl2 N2 O2 -","- C18 H16 Cl2 N2 O2 -","- C36 H32 Cl4 N4 O4 -","2","1","","Sui, Feng; Li, Jing","Crystal structure of 2-amino-4-(2,6-dichlorophenyl)-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile, C18H16Cl2N2O2","Zeitschrift für Kristallographie - New Crystal Structures","2016","231","2","489","490","10.1515/ncrs-2015-0150","","","0.71073","MoKα","","0.0669","0.0524","","","0.1587","0.1747","","","","","","1.094","","","","has coordinates","281809","2023-03-10","10:12:59",""
"8106918","9.5358","0.0012","13.2415","0.0016","23.621","0.003","90","","90","","90","","2982.6","0.6","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C6 H6.66 N12 O12.33 -","- C6 H6.6666 N12 O12.3333 -","- C48 H53.3328 N96 O98.6664 -","8","1","","Yu, Yuehai; Jin, Shaohua; Zhu, Jiaping; Li, Lijie; Chen, Shusen; Shu, Qinghai","Crystal structure of 2,4,6,8,10,12-hexanitro-2,4,6,8,10,12-hexaazatetracyclo[5·5·0·05·9·03·11]dodecane 1/3 hydrate, C6H8N12O13","Zeitschrift für Kristallographie - New Crystal Structures","2016","231","2","491","492","10.1515/ncrs-2015-0156","","","0.71073","MoKα","","0.0466","0.0374","","","0.0922","0.0988","","","","","","1.031","","","","has coordinates","281810","2023-03-10","10:15:33",""
"8106919","9.2781","0.0015","10.1405","0.0015","13.303","0.002","99.789","0.005","107.971","0.005","94.089","0.005","1162.9","0.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","Carbonyl Rhodium(I)triphenylarsine cupferrate","","","- C25 H20 As N2 O3 Rh -","- C25 H20 As N2 O3 Rh -","- C50 H40 As2 N4 O6 Rh2 -","2","1","","Drost, Ruben M.; Koen, Renier; Roodt, Andreas; Venter, Johan A.","Crystal structure of monocarbonyl(N-nitroso-N-oxido-phenylamine-κ2 O,O′)(triphenylarsine-κAs)rhodium(I), C25H20AsN2O3Rh","Zeitschrift für Kristallographie - New Crystal Structures","2016","231","2","493","495","10.1515/ncrs-2015-0158","","","0.71073","MoKα","","0.1327","0.0578","","","0.1357","0.1833","","","","","","0.89","","","","has coordinates","281811","2023-03-10","10:18:37",""
"8106920","5.8499","0.0003","8.6822","0.0004","24.6389","0.0013","90","","90","","90","","1251.41","0.11","113.9","","113.9","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","1-(4-(4-chlorophenoxy)-2-chlorophenyl)ethanone","","- C14 H10 Cl2 O2 -","- C14 H10 Cl2 O2 -","- C56 H40 Cl8 O8 -","4","1","","Lizhen, Chen; Jianlong, Wang","The crystal structure of 1-(4-(4-chlorophenoxy)-2-chlorophenyl)ethanone, C14H10Cl2O2","Zeitschrift für Kristallographie - New Crystal Structures","2016","231","2","497","498","10.1515/ncrs-2015-0159","","","0.7107","MoKα","","0.0388","0.0355","","","0.0743","0.0764","","","","","","1.058","","","","has coordinates","281812","2023-03-10","10:21:59",""
"8106921","8.6698","0.0017","9.4692","0.0019","14.855","0.003","87.8","0.03","76.32","0.03","77.88","0.03","1158.4","0.4","113","2","113","2","","","","","","","","5","P -1","-P 1","2","","","","- C25 H26 N4 O4 S -","- C25 H26 N4 O4 S -","- C50 H52 N8 O8 S2 -","2","1","","Liu, Si-Jie; Shang, Ruo-Feng; Jia, PengFei; Wang, Xin; Song, Yu-Pin","Crystal structure of N,N-diethyl-2-(2-(6-(4-methoxybenzyl)-7-oxo-7H-thiazolo[3,3-b][1,2,4]triazin-3-yl)phenoxy)acetamide, C25H26N4O4S","Zeitschrift für Kristallographie - New Crystal Structures","2016","231","2","499","501","10.1515/ncrs-2015-0163","","","0.71073","MoKα","","0.0525","0.0429","","","0.1192","0.126","","","","","","1.129","","","","has coordinates","281813","2023-03-10","10:24:26",""
"8106922","7.6249","0.0018","7.846","0.0016","11.723","0.003","70.52","0.008","85.079","0.01","64.007","0.007","592.8","0.2","153","2","153","2","","","","","","","","5","P -1","-P 1","2","","","","- C4 H10 Ba N8 O6 -","- C4 H10 Ba N8 O6 -","- C8 H20 Ba2 N16 O12 -","2","1","","Zhu, Jiaping; Jin, Shaohua; Wan, Li; Li, Lijie; Chen, Shusen; Shu, Qinghai","Crystal structure of tetraqua((E)-4,4′-(diazene-1,2-diyl)bis(5-oxo-4,5-dihydro-1,2,4-triazol-1-ide)-κ2 N:O)barium(II), C4H10N8O6Ba","Zeitschrift für Kristallographie - New Crystal Structures","2016","231","2","503","504","10.1515/ncrs-2015-0164","","","0.71073","MoKα","","0.037","0.0333","","","0.0658","0.068","","","","","","1.09","","","","has coordinates","281834","2023-03-13","08:56:19",""
"8106923","8.5476","0.001","8.7361","0.001","13.0076","0.0012","80.085","0.008","79.197","0.01","81.655","0.01","933.43","0.18","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C22 H18 N2 O3 -","- C22 H18 N2 O3 -","- C44 H36 N4 O6 -","2","1","","Qu, Ying-Juan","Crystal structure of 2-amino-4-(3-phenoxyphenyl)-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile, C22H18N2O3","Zeitschrift für Kristallographie - New Crystal Structures","2016","231","2","505","506","10.1515/ncrs-2015-0168","","","0.71073","MoKα","","0.0831","0.0582","","","0.1512","0.1886","","","","","","1.061","","","","has coordinates","281835","2023-03-13","09:00:37",""
"8106924","9.5772","0.0003","15.9466","0.0005","15.838","0.0005","90","","103.951","0.001","90","","2347.49","0.13","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C23 H30 F N5 O6 -","- C23 H30 F N5 O6 -","- C92 H120 F4 N20 O24 -","4","1","","Barakat, Assem; Ghabbour, Hazem A.; Al-Majid, Abdullah Mohammed; El Ashry, El Sayed H.; Warad, Ismail; Fun, Hoong-Kun","Crystal structure of diethylammonium 5-((4-fluorophenyl)(6-hydroxy-1,3-dimethyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)methyl)-1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-olate, C23H30FN5O6","Zeitschrift für Kristallographie - New Crystal Structures","2016","231","2","507","509","10.1515/ncrs-2015-0169","","","0.71073","MoKα","","0.0474","0.0423","","","0.1142","0.1193","","","","","","1.051","","","","has coordinates,has disorder","281836","2023-03-13","10:01:13",""
"8106925","8.777","0.0008","8.8227","0.0008","10.194","0.0009","75.08","0.008","73.618","0.008","74.829","0.008","716.43","0.12","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H12 F2 N2 O2 -","- C16 H12 F2 N2 O2 -","- C32 H24 F4 N4 O4 -","2","1","","Li, Jiang-Tao","Crystal structure of 2-amino-4-(3,5-difluoro-phenyl)-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile, C16H12F2N2O2","Zeitschrift für Kristallographie - New Crystal Structures","2016","231","2","511","512","10.1515/ncrs-2015-0171","","","0.71073","MoKα","","0.0683","0.0479","","","0.1182","0.1387","","","","","","1.04","","","","has coordinates","281837","2023-03-13","10:10:18",""
"8106926","13.07","0.004","10.165","0.003","15.109","0.004","90","","92.198","0.01","90","","2005.9","1","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H15 N6 Nb O7 -","- C18 H15 N6 Nb O7 -","- C72 H60 N24 Nb4 O28 -","4","1","","Belay, Alebel N.; Koen, Renier; Venter, Johan A.; Drost, Ruben M.","Crystal structure of tris(N-nitroso-N-oxyanilino-κ2 O, O′) oxidoniobium(V), C18H15N6O7Nb","Zeitschrift für Kristallographie - New Crystal Structures","2016","231","2","513","515","10.1515/ncrs-2015-0172","","","0.71073","MoKα","","0.0388","0.0318","","","0.0824","0.0876","","","","","","1.041","","","","has coordinates","281838","2023-03-13","10:14:12",""
"8106927","8.2737","0.0005","16.6403","0.0009","17.733","0.001","86.372","0.003","86.317","0.004","78.607","0.003","2385.2","0.2","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","'1-(5-benzoyl-4-methyl-2-(phenylamino)thiophen-3-yl)ethan-1-one'","","- C20 H17 N O2 S -","- C20 H17 N O2 S -","- C120 H102 N6 O12 S6 -","6","3","","Mabkhot, Yahia N.; Barakat, Assem; Al-Showiman, Salim S.; Frey, Wolfgang; Hamdi, Ahmad Hadi; Ghabbour, Hazem A.","Crystal structure of 1-(5-benzoyl-4-methyl-2-(phenylamino)thiophen-3-yl)ethan-1-one, a structure with Z′ = 6, C20H17NO2S","Zeitschrift für Kristallographie - New Crystal Structures","2016","231","2","517","520","10.1515/ncrs-2015-0173","","","0.71073","MoKα","","0.0786","0.0429","","","0.0977","0.1086","","","","","","1.048","","","","has coordinates","281839","2023-03-13","10:18:57",""
"8106928","7.1921","0.0006","18.6304","0.0014","13.3739","0.0011","90","","92.681","0.004","90","","1790","0.2","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","'Compound Y11'","","- C19 H17.75 O4.13 S2 -","- C19 H17.77 O4.13 S2 -","- C76 H71.08 O16.52 S8 -","4","1","","Mabkhot, Yahia N.; Barakat, Assem; Al-Showiman, Salim S.; Frey, Wolfgang; Uzzaman, Shams; Ghabbour, Hazem A.","Crystal structure of diethyl-3-methyl-4-phenylthieno[2,3-b]thiophene-2,5-dicarboxylate, C19H18O4S2","Zeitschrift für Kristallographie - New Crystal Structures","2016","231","2","521","523","10.1515/ncrs-2015-0174","","","0.71073","MoKα","","0.099","0.0478","","","0.0819","0.0913","","","","","","1.016","","","","has coordinates,has disorder","281840","2023-03-13","10:23:11",""
"8106929","7.7057","0.0004","15.2617","0.0008","20.7669","0.0009","83.186","0.004","81.95","0.004","87.651","0.004","2400.3","0.2","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C24 H22 N2 O12 -","- C24 H22 N2 O12 -","- C96 H88 N8 O48 -","4","2","","Li, Sa-Ying; Li, Ping","Crystal structure of 3,5-dicarboxybenzoate — benzene-1,3,5-tricarboxylic acid (1/1), C24H22N2O12","Zeitschrift für Kristallographie - New Crystal Structures","2016","231","2","525","528","10.1515/ncrs-2015-0175","","","0.71073","MoKα","","0.0947","0.0667","","","0.1772","0.1935","","","","","","1.072","","","","has coordinates","281841","2023-03-13","10:26:35",""
"8106930","16.811","0.003","14.357","0.003","17.523","0.003","90","","90","","90","","4229.3","1.4","123","2","123","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","2-chloro-1,3-bis(2,4,6-trimethylphenyl)-4,4-dimethyl-1,3,2λ^3^,4-\ diazaphosphasiletidine","","- C19.88 H27.64 Cl1.12 N2 P Si -","- C19.879 H27.637 Cl1.121 N2 P Si -","- C159.032 H221.096 Cl8.968 N16 P8 Si8 -","8","1","","Breuers, Verena; Frank, Walter","The crystal structure of 2-chloro-1,3-bis(2,4,6-trimethylphenyl)-4,4-dimethyl-1,3,2λ3,4-diazaphosphasiletidine","Zeitschrift für Kristallographie - New Crystal Structures","2016","231","2","529","532","10.1515/ncrs-2015-0176","","","0.71073","MoKα","","0.0426","0.0387","","","0.1066","0.1089","","","","","","1.103","","","","has coordinates,has disorder","281842","2023-03-13","10:29:17",""
"8106931","12.843","0.0003","10.1138","0.0002","11.4484","0.0003","90","","110.438","0.003","90","","1393.44","0.06","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- B12 H28 Mn2 O34 -","- B12 H28 Mn2 O34 -","- B24 H56 Mn4 O68 -","2","0.5","","Li, Ping; Fan, Cai-Hong; Ge, Jun-Feng","Crystal structure of hexaquamanganese(II) bis(hexaborato-κ 3O,O′,O′′)manganese(II) dihydrate, B12H28Mn2O34","Zeitschrift für Kristallographie - New Crystal Structures","2016","231","2","533","535","10.1515/ncrs-2015-0177","","","0.71073","MoKα","","0.022","0.0201","","","0.0573","0.0583","","","","","","1.037","","","","has coordinates","281843","2023-03-13","10:32:01",""
"8106932","9.5108","0.0017","15.659","0.003","10.356","0.002","90","","90.367","0.003","90","","1542.3","0.5","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C7 H17 B5 N2 O10 -","- C7 H17 B5 N2 O10 -","- C28 H68 B20 N8 O40 -","4","1","","Li, Ping; Fan, Cai-Hong; Ge, Jun-Feng","Crystal structure of 1-propyl-3-methylimidazolium pentaborate, [C7H13N2][B5O6(OH)4]","Zeitschrift für Kristallographie - New Crystal Structures","2016","231","2","537","539","10.1515/ncrs-2015-0178","","","0.71073","MoKα","","0.051","0.0402","","","0.0858","0.0893","","","","","","1.301","","","","has coordinates,has disorder","281844","2023-03-13","10:35:13",""
"8106933","12.405","0.002","11.5703","0.0018","19.459","0.003","90","","96.358","0.002","90","","2775.8","0.8","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","3-(4-fluorophenyl)-11,13-dihydro-1H-benzo[h]indazolo[6,7-b] [1, 6]naphthyridin-12(6H)-one - dimethylformamide - water (1/2/1)","","- C29 H31 F N6 O4 -","- C29 H31 F N6 O4 -","- C116 H124 F4 N24 O16 -","4","1","","Xie, Heng-Shen; Wang, Jun-qiang; Su, Ling; Lu, Jing-yang; Zhao, Xiao-qian","Crystal structure of 13-(4-fluorophenyl)-11,13-dihydro-1H-benzo[h]indazolo[6,7-b] [1, 6]naphthyridin-12(6H)-one — dimethylformamide — water (1/2/1), C29H31FN6O4","Zeitschrift für Kristallographie - New Crystal Structures","2016","231","2","541","543","10.1515/ncrs-2015-0179","","","0.71073","MoKα","","0.0577","0.0457","","","0.1191","0.1329","","","","","","1.031","","","","has coordinates,has disorder","281845","2023-03-13","10:38:27",""
"8106934","7.2044","0.0006","24.975","0.002","7.8562","0.0008","90","","115.231","0.001","90","","1278.7","0.2","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C14 H12 Cl N O3 -","- C14 H12 Cl N O3 -","- C56 H48 Cl4 N4 O12 -","4","1","","Su, Hongliang; Guo, Xiaoxiong; Zhou, Lunan; Du, Zhenting","Crystal structure of 1-(2-chlorophenyl)-2-(2-nitrophenyl)ethan-1-ol, C14H12ClNO3","Zeitschrift für Kristallographie - New Crystal Structures","2016","231","2","545","546","10.1515/ncrs-2015-0180","","","0.71073","MoKα","","0.0973","0.0538","","","0.1183","0.143","","","","","","1.022","","","","has coordinates","281885","2023-03-15","09:46:22",""
"8106935","12.567","0.003","8.717","0.0017","12.773","0.003","90","","111.41","0.03","90","","1302.7","0.6","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C15 H10 Br N O -","- C15 H10 Br N O -","- C60 H40 Br4 N4 O4 -","4","1","","Shi, Da-Bin; Meng, Chao; Chen, Yong-Zheng","Crystal structure of (Z)-2-((2-bromo-1-phenylvinyl)oxy)benzonitrile, C15H10BrNO","Zeitschrift für Kristallographie - New Crystal Structures","2016","231","2","547","548","10.1515/ncrs-2015-0181","","","0.71073","MoKα","","0.1053","0.051","","","0.1267","0.1707","","","","","","1.084","","","","has coordinates","281886","2023-03-15","09:48:54",""
"8106936","7.4932","0.0015","18.454","0.0037","12.967","0.0026","90","","99.862","0.03","90","","1766.6","0.6","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C36 H34 Cl4 N4 Zn2 -","- C36 H34 Cl4 N4 Zn2 -","- C72 H68 Cl8 N8 Zn4 -","2","0.5","","Li, Xiaokang; Jiang, Yangqing; Xu, Guohai","Crystal structure of tetrachlorido(1E,1′E)-N,N′-((1,4-phenylenebis(propane-2,2-diyl))bis(4,1-phenylene))bis(1-(pyridin-2-yl-κN)methanimine-κN)dizinc(II), C36H34N4Zn2Cl4","Zeitschrift für Kristallographie - New Crystal Structures","2016","231","2","549","550","10.1515/ncrs-2015-0183","","","0.71073","MoKα","","0.0559","0.04","","","0.1115","0.1184","","","","","","1.067","","","","has coordinates","281887","2023-03-15","09:52:38",""
"8106937","23.942","0.005","12.3661","0.0014","6.823","0.003","90","","90","","90","","2020.1","1","153","2","153","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C24 H20 N4 O4 -","- C24 H20 N4 O4 -","- C96 H80 N16 O16 -","4","1","","Liu, Zhi-Min","Crystal structure of 2,6-bis(3-methylpyridinyl)hexahydro-4,8-ethenopyrrolo-[3,4-f]isoindole-1,3,5,7(2H,6H)-tetrone, C24H20N4O4","Zeitschrift für Kristallographie - New Crystal Structures","2016","231","2","551","552","10.1515/ncrs-2015-0185","","","0.71073","MoKα","","0.0754","0.0457","","","0.0847","0.0963","","","","","","1.179","","","","has coordinates","281888","2023-03-15","09:56:07",""
"8106938","19.3607","0.0004","13.426","0.0003","11.2917","0.0002","90","","125.299","0.001","90","","2395.5","0.09","123","2","123","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C18 H36 Co N4 O11 -","- C18 H36 Co N4 O11 -","- C72 H144 Co4 N16 O44 -","4","0.5","","Kang, Jaeun; Ok, Kang Min; Do, Junghwan","Crystal structure of trans-bis(2-methylmaleato-κ 2O,O′) bis(piperazinium-κ N) cobalt(II) trihydrate, C18H36CoN4O11","Zeitschrift für Kristallographie - New Crystal Structures","2016","231","2","553","555","10.1515/ncrs-2015-0186","","","0.71073","MoKα","","0.0275","0.0251","","","0.0699","0.0719","","","","","","1.05","","","","has coordinates","281889","2023-03-15","09:58:35",""
"8106939","10.0099","0.0003","16.2337","0.0006","21.0714","0.0007","90","","91.324","0.003","90","","3423.1","0.2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H20 Cl N3 O -","- C18 H20 Cl N3 O -","- C144 H160 Cl8 N24 O8 -","8","2","","Jiang, Xue-Yue; Chen, Lan-Lan; Hu, Sen-Sen; Liu, He-Yu; Xu, Hua-Jie; Song, Chong-Fu","Crystal structure of (E)-4-chloro-N′-(4-(diethylamino)benzylidene)benzohydrazide, C18H20ClN3O","Zeitschrift für Kristallographie - New Crystal Structures","2016","231","2","557","559","10.1515/ncrs-2015-0187","","","0.71073","MoKα","","0.0936","0.0381","","","0.0927","0.1065","","","","","","0.713","","","","has coordinates,has disorder","281890","2023-03-15","10:01:22",""
"8106940","10.2582","0.0004","13.6507","0.0004","20.7982","0.0009","90","","101.194","0.004","90","","2857","0.19","173","0.1","173","0.1","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C18 H13 N5 -","- C18 H13 N5 -","- C144 H104 N40 -","8","2","","Meng, Jiang ping; Xu, Qiang","Crystal structure of 3,6-di(1H-imidazol-1-yl)-9H-carbazole, C18H13N5","Zeitschrift für Kristallographie - New Crystal Structures","2016","231","2","561","563","10.1515/ncrs-2015-0191","","x-ray","0.71073","MoKα","","0.0874","0.0594","","","0.133","0.1536","","","","","","1.073","","","","has coordinates","281977","2023-03-22","09:28:49",""
"8106941","7.3496","0.0015","9.3709","0.0017","9.4112","0.0016","104.712","0.006","96.261","0.007","103.4","0.007","600.1","0.2","299","2","299","2","","","","","","","","4","P -1","-P 1","2","","","","- C16 H11 N O2 -","- C16 H11 N O2 -","- C32 H22 N2 O4 -","2","1","","Shi, Da-Bin; Meng, Chao; Chen, Yong-Zheng","Crystal structure of 4-(4-pyridinyl)-1-naphthoic acid, C16H11NO2","Zeitschrift für Kristallographie - New Crystal Structures","2016","231","2","565","567","10.1515/ncrs-2015-0192","","","0.71073","MoKα","","0.0872","0.0466","","","0.1039","0.1203","","","","","","1.006","","","","has coordinates","281978","2023-03-22","10:07:51",""
"8106942","22.4995","0.0006","9.937","0.0003","21.6466","0.0006","90","","115.941","0.001","90","","4352.1","0.2","296.2","","296.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1,1'-diformyl-4,4'-(6<i>H</i>,12<i>H</i>-5,11-methano- dibenzo[<i>b</i>,<i>f</i>][<i>1</i>1,<i>5</i>]diazocine-2,8-diyl)dibenzene","","- C29 H22 N2 O2 -","- C29 H22 N2 O2 -","- C232 H176 N16 O16 -","8","2","","Qiu, Feng; Wan, Yu; Huang, Shu-ying; Zhou, Qiu-ju; Cui, Hao; Chu, Yan-huan; Zhou, Sheng-Liang; Han, Xiang-en; Wu, Hui","Crystal structure of 1,1′-diformyl-4,4′-(6H,12H-5,11-methano-dibenzo[b,f][11,5]diazocine-2,8-diyl)dibenzene, C29H22N2O2","Zeitschrift für Kristallographie - New Crystal Structures","2016","231","2","569","572","10.1515/ncrs-2015-0193","","","0.71073","MoKα","","0.0764","0.0437","","","0.1012","0.1213","","","","","","1.008","","","","has coordinates,has disorder","281993","2023-03-23","07:51:56",""
"8106943","8.0381","0.0005","10.4499","0.0008","17.1228","0.0013","90","","90","","90","","1438.27","0.18","100","2","100","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C16 H19 N3 O -","- C16 H19 N3 O -","- C64 H76 N12 O4 -","4","1","","Al-Tamimi, Abdul-Malek S.; Ghabbour, Hazem A.; El-Emam, Ali A.","Crystal structure of N′-(adamantan-2-ylidene)pyridine-3-carbohydrazide, C16H19N3O","Zeitschrift für Kristallographie - New Crystal Structures","2016","231","2","573","575","10.1515/ncrs-2015-0194","","","0.71073","MoKα","","0.0766","0.0499","","","0.0995","0.1105","","","","","","1.025","","","","has coordinates","281994","2023-03-23","07:58:00",""
"8106944","4.426","0.0009","14.502","0.004","11.455","0.003","90","","96.319","0.005","90","","730.8","0.3","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H18 N4 O2 -","- C14 H18 N4 O2 -","- C28 H36 N8 O4 -","2","0.5","","Radi, Smaail; El-Massaoudi, Mohamed; Mabkhot, Yahia N.; Barakat, Assem; Ghabbour, Hazem A.","Crystal structure of 1,1′-(butane-1,4-diyl)bis(5-methyl-1H-pyrazole-3-carbaldehyde), C14H18N4O2","Zeitschrift für Kristallographie - New Crystal Structures","2016","231","2","577","578","10.1515/ncrs-2015-0196","","","0.71073","MoKα","","0.0964","0.0712","","","0.1807","0.1946","","","","","","1.145","","","","has coordinates,has disorder","281995","2023-03-23","08:06:55",""
"8106945","7.542","0.0007","11.6929","0.0011","22.657","0.002","90","","90","","90","","1998.1","0.3","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C21 H34 O3 -","- C21 H34 O3 -","- C84 H136 O12 -","4","1","","Brito, Iván; Bórquez, Jorge; Simirgiotis, Mario; Cárdenas, Alejandro; Molina-Salinas, Gloria M.; Jerz, Gerold; Peña-Rodriguez, Luis Manuel; Winterhalter, Peter","Crystal structure of methyl 8-hydroxy-3-isopropyl-5a,8-dimethyl-2,3,4,5,5a,6,7,8,10a,10b-decahydrocyclohepta[e]indene-3a(1H)-carboxylate, C21H34O3","Zeitschrift für Kristallographie - New Crystal Structures","2016","231","2","579","582","10.1515/ncrs-2015-0197","","","1.54178","CuKα","","0.04","0.0383","","","0.1069","0.1132","","","","","","1.067","","","","has coordinates","281996","2023-03-23","08:28:51",""
"8106946","4.6579","0.0002","9.6316","0.0005","13.6654","0.0007","87.982","0.002","87.33","0.002","78.403","0.002","599.69","0.05","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C11 H15 N3 O S -","- C11 H15 N3 O S -","- C22 H30 N6 O2 S2 -","2","1","","Al-Tamimi, Abdul-Malek S.; Ghabbour, Hazem A.; El-Emam, Ali A.","Crystal structure of 6-oxo-4-propyl-2-(propylthio)-1,6-dihydropyrimidine-5-carbonitrile, C11H15N3OS","Zeitschrift für Kristallographie - New Crystal Structures","2016","231","2","583","585","10.1515/ncrs-2015-0198","","","0.71073","MoKα","","0.0553","0.045","","","0.1214","0.1282","","","","","","1.053","","","","has coordinates","281997","2023-03-23","08:37:39",""
"8106947","7.52","0.005","11.662","0.007","13.666","0.009","90","","98.519","0.008","90","","1185.3","1.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H22 N8 Ni O4 -","- C26 H22 N8 Ni O4 -","- C52 H44 N16 Ni2 O8 -","2","0.5","","Liang, En-Xiang; Liu, Li-Chao; He, Bin-Hong; Yang, Chang-An; Ren, Shao","Crystal structure of poly[diacetato(μ2-1,4-bis(1H-imidazol-1-yl)benzene-κ 2 N:N′)nickel(II)], C26H22N8NiO4","Zeitschrift für Kristallographie - New Crystal Structures","2016","231","2","587","589","10.1515/ncrs-2015-0199","","","0.71073","MoKα","","0.0438","0.0345","","","0.096","0.1007","","","","","","1.078","","","","has coordinates","281998","2023-03-23","08:40:22",""
"8106948","14.6518","0.0008","9.6738","0.0005","11.1907","0.0006","90","","121.182","0.008","90","","1357","0.17","296","2","296","2","","","","","","","","7","C 1 2 1","C 2y","5","","","","- C28 H18 Br4 Cu F2 N2 O2 -","- C28 H18 Br4 Cu F2 N2 O2 -","- C56 H36 Br8 Cu2 F4 N4 O4 -","2","0.5","","Lu, Qiong; Lei, KeWei","Crystal structure of bis(2,4-dibromo-6-{(E)[(4-fluorobenzyl)imino]methyl}phenolato-κ2 N,O) copper(II), C28H18Br4F2N2O2Cu","Zeitschrift für Kristallographie - New Crystal Structures","2016","231","2","591","592","10.1515/ncrs-2015-0200","","","","","","0.0863","0.0723","","","0.1796","0.1966","","","","","","1.057","","","","has coordinates","288219","2023-12-11","21:40:11",""
"8106949","12.0579","0.0007","11.1213","0.0005","21.9741","0.0013","90","","90","","90","","2946.7","0.3","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C17 H22 N2 S -","- C17 H22 N2 S -","- C136 H176 N16 S8 -","8","1","","Al-Wahaibi, Lamya H.; Ghabbour, Hazem A.; Mostafa, Gamal A. E.; Almutairi, Maha S.; El-Emam, Ali A.","Crystal structure of 1-(adamantan-1-yl)-3-phenylthiourea, C17H22N2S","Zeitschrift für Kristallographie - New Crystal Structures","2016","231","2","593","595","10.1515/ncrs-2015-0205","","","0.71073","MoKα","","0.0743","0.047","","","0.1027","0.1125","","","","","","1.046","","","","has coordinates","282000","2023-03-23","09:00:50",""
"8106950","12.2755","0.0004","6.2753","0.0002","30.379","0.0008","90","","112.475","0.002","90","","2162.42","0.12","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C25 H23 N7 O -","- C25 H23 N7 O -","- C100 H92 N28 O4 -","4","1","","Amr, Abd El-Galil E.; Al-Omar, Mohamed A.; Khalifa, Nagy M.; Ghabbour, Hazem A.; Ali, Korany K.","Crystal structure of 3-(6-(5-amino-1-phenyl-1H-pyrazol-3-yl)pyridin-2-yl)-1-phenyl-1H-pyrazol-5-amine – dioxan (2/1), C25H23N7O","Zeitschrift für Kristallographie - New Crystal Structures","2016","231","2","597","599","10.1515/ncrs-2015-0206","","","1.54178","CuKα","","0.0694","0.052","","","0.1465","0.1619","","","","","","1.05","","","","has coordinates","282001","2023-03-23","09:04:12",""
"8106951","4.8885","0.0002","10.3414","0.0005","12.6056","0.0006","95.162","0.002","97.487","0.001","101.494","0.001","614.73","0.05","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C13 H14 N2 O2 S -","- C13 H14 N2 O2 S -","- C26 H28 N4 O4 S2 -","2","1","","Al-Wabli, Reem I.; Ghabbour, Hazem A.; Lahsasni, Siham; Al-Abdullah, Ebtehal S.; El-Emam, Ali A.","Crystal structure of 5-ethyl-6-[(3-methylphenyl)sulfanyl]pyrimidine-2,4(1H,3H)-dione, C13H14N2O2S","Zeitschrift für Kristallographie - New Crystal Structures","2016","231","2","601","603","10.1515/ncrs-2015-0207","","","0.71073","MoKα","","0.0818","0.0507","","","0.1047","0.1149","","","","","","1.034","","","","has coordinates","282002","2023-03-23","09:13:20",""
"8106952","15.315","0.003","14.259","0.003","18.118","0.003","90","","105.252","0.003","90","","3817.2","1.3","185","2","185","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C44 H54 Mn N4 -","- C44 H54 Mn N4 -","- C176 H216 Mn4 N16 -","4","0.5","","Ji, Xiangdong; Gao, Wei; Mu, Ying","Crystal structure of (((1E,1′E)-(cyclohexane-1,2-diylbis(azanylylidene-κ2 N,N′))bis(methanylylidene))bis(2,1-phenylene))bis((2,6-diisopropylphenyl)amide-κ2 N′′,N′′′)manganese(II), C44H54N4Mn","Zeitschrift für Kristallographie - New Crystal Structures","2016","231","2","605","607","10.1515/ncrs-2015-0208","","","0.71073","MoKα","","0.0627","0.0472","","","0.1177","0.1287","","","","","","1.035","","","","has coordinates","282003","2023-03-23","09:19:07",""
"8106953","9.3751","0.0002","17.334","0.0003","13.3828","0.0002","90","","98.46","0.001","90","","2151.15","0.07","150","2","150","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","prop-2-en-1-yl-2-oxo-2<i>H</i>-1-benzopyran-3-carboxylate","","- C13 H10 O4 -","- C13 H10 O4 -","- C104 H80 O32 -","8","2","","Škoch, Karel; Císařová, Ivana; Štěpnička, Petr","Crystal structure of prop-2-en-1-yl 2-oxo-2H-1-benzopyran-3-carboxylate, C13H10O4","Zeitschrift für Kristallographie - New Crystal Structures","2016","231","2","609","611","10.1515/ncrs-2015-0209","","","0.71073","MoKα","","0.0477","0.0381","","","0.0995","0.1065","","","","","","1.055","","","","has coordinates","288183","2023-12-08","14:43:01",""
"8106954","7.737","0.004","9.483","0.005","11.309","0.006","101.852","0.015","102.513","0.015","101.48","0.015","766.6","0.7","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C34 H24 Mn2 N2 O8 -","- C34 H24 Mn2 N2 O8 -","- C34 H24 Mn2 N2 O8 -","1","0.5","","Mokolokolo, Pennie P.; Brink, Alice; Visser, Hendrik G.","Crystal structure of bis(μ2-2-((3-methylphenyl)imino)methylphenolato-κ2 N,O:O)hexacarbonyldimanganese(I), C34H24Mn2N2O8","Zeitschrift für Kristallographie - New Crystal Structures","2016","231","2","613","615","10.1515/ncrs-2015-0210","","","0.71073","MoKα","","","0.0478","","","","0.1297","","","","","","1.032","","","","has coordinates","282005","2023-03-23","09:33:02",""
"8106955","6.6954","0.0007","7.6325","0.0008","9.8928","0.0011","95.908","0.009","92.81","0.009","108.36","0.008","475.49","0.09","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","(2Z)-3-hydroxy-1-(1,5-dimethyl-1H-pyrazol-3-yl)but-2-en-1-one","","- C9 H12 N2 O2 -","- C9 H12 N2 O2 -","- C18 H24 N4 O4 -","2","1","","Radi, Smaail; Tighadouini, Said; Hadda, Taibi Ben; Akkurt, Mehmet; Özdemir, Namık; Sirajuddin, Muhammad; Mabkhot, Yahia N.","Crystal structure of (Z)-1-(1,5-dimethyl-1H-pyrazol-3-yl)-3-hydroxybut-2-en-1-one C9H12N2O2","Zeitschrift für Kristallographie - New Crystal Structures","2016","231","2","617","618","10.1515/ncrs-2015-0212","","","0.71073","MoKα","","0.1012","0.0606","","","0.1376","0.1549","","","","","","1.091","","","","has coordinates","282006","2023-03-23","09:36:02",""
"8106956","16.5979","0.0005","8.5654","0.0002","11.8418","0.0004","90","","108.537","0.004","90","","1596.18","0.09","190","2","190","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","2-[5-(2-formylphenoxy)pentoxy]benzaldehyde)","2,2'-[pentane-1,5-diylbis(oxy)]dibenzaldehyde","","- C19 H20 O4 -","- C19 H20 O4 -","- C76 H80 O16 -","4","1","","Balić, Tomislav; Marković, Berislav","Crystal structure of 2,2′-[pentane-1,5-diylbis(oxy)]dibenzaldehyde, C19H20O4","Zeitschrift für Kristallographie - New Crystal Structures","2016","231","2","619","621","10.1515/ncrs-2015-0213","","","0.7107","MoKα","","0.0446","0.0385","","","0.0931","0.0973","","","","","","1.038","","","","has coordinates","282007","2023-03-23","09:39:06",""
"8106957","8.0873","0.0004","12.782","0.0007","13.5574","0.0007","74.88","0.002","75.421","0.002","76.391","0.002","1287.61","0.12","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H13 N O2 S -","- C16 H13 N O2 S -","- C64 H52 N4 O8 S4 -","4","2","","Ghabbour, Hazem A.","Crystal structure of 2-phenyl-5,6,7,8-tetrahydro-4H-benzo[4,5]thieno[2,3-d][1,3]oxazin-4-one, C16H13NO2S","Zeitschrift für Kristallographie - New Crystal Structures","2016","231","2","623","625","10.1515/ncrs-2015-0214","","","0.71073","MoKα","","0.061","0.0413","","","0.098","0.1075","","","","","","1.075","","","","has coordinates","282008","2023-03-23","09:42:46",""
"8106958","3.9518","0.0018","10.495","0.005","27.875","0.015","90","","91.224","0.008","90","","1155.8","1","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C13 H9 Cl2 N -","- C13 H9 Cl2 N -","- C52 H36 Cl8 N4 -","4","1","","Liang, En-Xiang; He, Bin-Hong; Xu, Yi-Xue; Yi, Jian-Min; Ren, Shao","Crystal structure of (E)-1-(2-chlorophenyl)-N-(4-chlorophenyl)methanimine, C13H9Cl2N","Zeitschrift für Kristallographie - New Crystal Structures","2016","231","2","627","628","10.1515/ncrs-2015-0215","","","0.71073","MoKα","","0.098","0.0719","","","0.1725","0.1862","","","","","","1.097","","","","has coordinates","282009","2023-03-23","09:45:29",""
"8106959","11.2669","0.0005","8.3859","0.0003","19.4047","0.0008","90","","95.207","0.002","90","","1825.85","0.13","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C6 H7 Br N2 O2 S -","- C6 H7 Br N2 O2 S -","- C48 H56 Br8 N16 O16 S8 -","8","2","","Ghabbour, Hazem A.","Crystal structure of ethyl 2-amino-5-bromothiazole-4-carboxylate, C6H7BrN2O2S","Zeitschrift für Kristallographie - New Crystal Structures","2016","231","2","629","630","10.1515/ncrs-2015-0216","","","0.71073","MoKα","","0.1119","0.0556","","","0.1339","0.1619","","","","","","1.032","","","","has coordinates","282010","2023-03-23","09:47:54",""
"8106960","8.7214","0.0004","15.4388","0.0007","20.1249","0.001","90","","92.176","0.002","90","","2707.8","0.2","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C32 H31 B N2 S -","- C32 H31 B N2 S -","- C128 H124 B4 N8 S4 -","4","1","","Mostafa, Gamal A. E.; Ghabbour, Hazem A.; Abdel-Aziz, Hatem A.","Crystal structure of 2-benzylisothiouronium tetraphenylborate, C32H31BN2S","Zeitschrift für Kristallographie - New Crystal Structures","2016","231","2","631","633","10.1515/ncrs-2015-0219","","","0.71073","MoKα","","0.0908","0.0586","","","0.1406","0.1588","","","","","","1.029","","","","has coordinates","282011","2023-03-23","09:50:40",""
"8106961","20.262","0.007","9.53","0.003","11.444","0.003","90","","117.095","0.005","90","","1967.3","1.1","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C24 H16 Cu N2 O4 -","- C24 H16 Cu N2 O4 -","- C96 H64 Cu4 N8 O16 -","4","0.5","","Liang, En-Xiang; He, Bin-Hong; Xu, Yi-Xue; Yi, Jian-Min; Ren, Shao","Crystal structure of poly[(μ2-biphenyl-2,2′-dicarboxylato-κ4 O,O′:O′′,O′′′)(μ2-4,4′-bipyridine-κ2 N:N′)copper(II)], C24H16CuN2O4","Zeitschrift für Kristallographie - New Crystal Structures","2016","231","2","635","636","10.1515/ncrs-2015-0220","","","0.71073","MoKα","","0.0298","0.0271","","","0.0978","0.0998","","","","","","1.069","","","","has coordinates","282012","2023-03-23","09:53:09",""
"8106962","12.3163","0.0007","9.0436","0.0005","15.0774","0.0008","90","","103.245","0.0018","90","","1634.7","0.16","200","2","200","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H23 Cl2 O Ti -","- C14 H23 Cl2 O Ti -","- C56 H92 Cl8 O4 Ti4 -","4","1","","Oswald, Tim; Schmidtmann, Marc; Beckhaus, Ruediger","Crystal structure of (η 5-pentamethylcyclopentadienyl)titanium(III)dichloride (THF), C14H23Cl2OTi","Zeitschrift für Kristallographie - New Crystal Structures","2016","231","2","637","639","10.1515/ncrs-2015-0221","","","0.71073","MoKα","","0.0494","0.0418","","","0.1086","0.1142","","","","","","1.086","","","","has coordinates","282013","2023-03-23","09:59:08",""
"8106963","13.1372","0.0006","9.6866","0.0005","15.97","0.0008","90","","92.499","0.002","90","","2030.33","0.17","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C23 H19 Fe N3 O3 S -","- C23 H19 Fe N3 O3 S -","- C92 H76 Fe4 N12 O12 S4 -","4","1","","Wang, Yu-Xian; Wang, Lu-Yao; Guo, Xiao-Long; Li, Lu","Crystal structure of 3-ferrocenylsulfonyl-2-(4-methoxyphenyl)-3H-imidazo[4,5-b]pyridine, C23H19FeN3O3S","Zeitschrift für Kristallographie - New Crystal Structures","2016","231","2","641","643","10.1515/ncrs-2015-0223","","","0.71073","MoKα","","0.0348","0.0294","","","0.0764","0.0807","","","","","","1.028","","","","has coordinates","282014","2023-03-23","10:01:50",""
"8106964","21.221","0.013","6.325","0.004","22.732","0.014","90","","108.922","0.016","90","","2886","3","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C18 H11 F N2 O -","- C18 H11 F N2 O -","- C144 H88 F8 N16 O8 -","8","1","","Yang, Pinghua; Wang, Changqing","Crystal structure of 2-benzoyl-3-(4-fluorophenyl)cyclopropane-1,1-dicarbonitrile, C18H11FN2O","Zeitschrift für Kristallographie - New Crystal Structures","2016","231","2","645","646","10.1515/ncrs-2015-0224","","","0.71073","MoKα","","0.0662","0.041","","","0.0986","0.1139","","","","","","1.026","","","","has coordinates","282015","2023-03-23","10:04:07",""
"8106965","13.6316","0.0005","5.7462","0.0002","14.1562","0.0005","90","","91.758","0.004","90","","1108.33","0.07","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C11 H15 N O2 S -","- C11 H15 N O2 S -","- C44 H60 N4 O8 S4 -","4","1","","Li, Guo Qiang; Meng, Jiang Ping; Zhou, Xia; Wang, Qing; Xu, Qiang","Crystal structure of 1,6-ditosyl-1,6-diazecane, C22H30N2O4S2","Zeitschrift für Kristallographie - New Crystal Structures","2016","231","2","647","648","10.1515/ncrs-2015-0228","","","1.54184","CuKα","","0.0547","0.0464","","","0.1174","0.1249","","","","","","1.048","","","","has coordinates","282016","2023-03-23","10:06:35",""
"8106966","16.2353","0.0011","16.8474","0.0012","36.028","0.002","90","","90","","90","","9854.5","1.1","163","2","163","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C13 H12 N4 O2 -","- C13 H12 N4 O2 -","- C416 H384 N128 O64 -","32","4","","Pansuriya, Pramod B.; Patel, Chintan; Friedrich, Holger B.; Maguire, Glenn E. M.","Crystal structure of N-phenyl-2-(pyridin-4-ylcarbonyl)hydrazinecarboxamide with Z′ = 4, C13H12N4O2","Zeitschrift für Kristallographie - New Crystal Structures","2016","231","2","649","652","10.1515/ncrs-2015-0229","","","0.71073","MoKα","","0.1138","0.0903","","","0.1746","0.1773","","","","","","2.578","","","","has coordinates","282017","2023-03-23","10:09:26",""
"8106967","15.8251","0.0019","10.3667","0.0012","15.9","0.002","90","","107.225","0.003","90","","2491.5","0.5","153","2","153","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C30 H31 N P2 -","- C30 H31 N P2 -","- C120 H124 N4 P8 -","4","1","","Naicker, Dunesha; Pansuriya, Pramod B.; Friedrich, Holger B.","Crystal structure of N,N-bis(diphenylphosphanyl)cyclohexylamine, C30H31NP2","Zeitschrift für Kristallographie - New Crystal Structures","2016","231","2","653","656","10.1515/ncrs-2015-0231","","","0.71073","MoKα","","0.0543","0.039","","","0.0858","0.0935","","","","","","1.02","","","","has coordinates","282018","2023-03-23","10:12:10",""
"8106968","7.9882","0.0002","11.4053","0.0003","16.2381","0.0005","90","","90","","90","","1479.42","0.07","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H17 N O3 -","- C16 H17 N O3 -","- C64 H68 N4 O12 -","4","1","","Mierina, Inese; Gudelis, Emilis; Stepanovs, Dmitrijs; Jure, Mara; Mishnev, Anatoly; Kolympadi, Maria; Marković, Dean","Crystal structure of 3-(4-hydroxy-3-methoxyphenyl)-N-phenylpropanamide, C16H17NO3","Zeitschrift für Kristallographie - New Crystal Structures","2016","231","2","657","659","10.1515/ncrs-2015-0235","","","0.71073","MoKα","","0.079","0.048","","","0.0879","0.0991","","","","","","1.06","","","","has coordinates","282019","2023-03-23","10:24:31",""
"8106969","18.9361","0.0002","11.5248","0.0001","6.0142","0.0001","90","","90","","90","","1312.51","0.03","100","0.14","100","0.14","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C15 H9 F N4 S -","- C15 H9 F N4 S -","- C60 H36 F4 N16 S4 -","4","1","","Al-Alshaikh, Monirah A.; Ghabbour, Hazem A.; Abdelbaky, Mohammed S. M.; García-Granda, Santiago; El-Emam, Ali A.","Crystal structure of 6-(2-fluorophenyl)-3-phenyl-[1,2,4]-triazolo[3,4-b][1,3,4]thiadiazole, C15H9FN4S","Zeitschrift für Kristallographie - New Crystal Structures","2016","231","2","661","663","10.1515/ncrs-2015-0236","","x-ray","1.54184","CuKα","","0.0267","0.0263","","","0.0702","0.0706","","","","","","1.055","","","","has coordinates","282020","2023-03-23","10:27:11",""
"8106970","9.6729","0.0007","18.9327","0.0013","15.0121","0.0008","90","","118.323","0.003","90","","2420.1","0.3","110","2","110","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C22 H20 Cd Cu N8 O5 -","- C22 H20 Cd Cu N8 O5 -","- C88 H80 Cd4 Cu4 N32 O20 -","4","1","","Liu, Yuhai; Li, Weihua; Lu, Hui; Sun, Jianhua","Crystal structure of catena-poly[aqua(dicyanoazanido-2κN-μ2-dicyanoazanido-1κN:2κN′)(μ2-2-methoxy-6-(((2-((3-methoxy-2-oxidobenzylidene)amino)ethyl)imino)methyl)phenolato-1κ2N,N′,2κ2O,O′,1κ2O′′,O′′′:2κ2O′′,O′′′)cadmium(II)copper(II)], C22H20CdCuN8O5","Zeitschrift für Kristallographie - New Crystal Structures","2016","231","2","665","667","10.1515/ncrs-2015-0237","","","0.71073","MoKα","","0.0228","0.0213","","","0.0554","0.056","","","","","","1.119","","","","has coordinates","282021","2023-03-23","10:30:04",""
"8106971","8.54","0.002","11.371","0.003","23.441","0.005","90","","95.298","0.003","90","","2266.6","0.9","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H18 Co N4 O6 -","- C22 H18 Co N4 O6 -","- C88 H72 Co4 N16 O24 -","4","1","","Liu, Jing","Crystal structure of poly[aqua(μ2-2,5-bis(4-pyridyl)-1,3,4-oxadiazole-κ2 N,N)(μ2-1,3-phenylenediacetato-κ3 O,O′:O′′)cobalt(II)], C22H18CoN4O6","Zeitschrift für Kristallographie - New Crystal Structures","2016","231","3","669","671","10.1515/ncrs-2013-8083","","","0.71073","MoKα","","0.0955","0.0652","","","0.1583","0.1743","","","","","","1.093","","","","has coordinates","282033","2023-03-24","08:01:41",""
"8106972","30.13","0.008","8.825","0.002","16.021","0.004","90","","103.293","0.004","90","","4145.8","1.8","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C24 H22 N2 O3 -","- C24 H22 N2 O3 -","- C192 H176 N16 O24 -","8","1","","Li, Jing; Sui, Feng","Crystal structure of 2-amino-7,7-dimethyl-5-oxo-4-(3-phenoxy-phenyl)-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile","Zeitschrift für Kristallographie - New Crystal Structures","2016","231","3","673","675","10.1515/ncrs-2015-0082","","","0.71073","MoKα","","0.049","0.0445","","","0.1212","0.1258","","","","","","1.034","","","","has coordinates","282034","2023-03-24","08:05:09",""
"8106973","13.463","0.005","6.526","0.002","14.068","0.005","90","","95.961","0.005","90","","1229.3","0.7","153","2","153","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C6 H5 N11 O6 -","- C6 H5 N11 O6 -","- C24 H20 N44 O24 -","4","1","","Zhu, Jiaping; Jin, Shaohua; Yu, Yuehai; Chen, Shusen; Shu, Qinghai","Crystal structure of (E)-4,4′-(diazene-1,2-diyl)bis(1-nitro-1H-1,2,4-triazol-5(4H)-one)—acetonitrile (1:1), C6H5N11O6","Zeitschrift für Kristallographie - New Crystal Structures","2016","231","3","677","678","10.1515/ncrs-2015-0126","","","0.71073","MoKα","","0.0509","0.042","","","0.0985","0.1041","","","","","","1.103","","","","has coordinates,has disorder","282035","2023-03-24","08:09:28",""
"8106974","7.983","0.002","9.731","0.002","12.3","0.004","84.689","0.009","86.779","0.009","69.45","0.007","890.6","0.4","153","2","153","2","","","","","","","","5","P -1","-P 1","2","","","","- C9 H11 K N16 O5 -","- C9 H11 K N16 O5 -","- C18 H22 K2 N32 O10 -","2","1","","Zhao, Benbo; Ge, Zhen; Luo, Yunjun","Crystal structure of potassium (E)-5-oxo-4-((5-oxo-1H-1,2,4-triazol-4(5H)-yl)diazenyl)-4,5-dihydro-1,2,4-triazol-1-ide – (E)-4,4-diazene-1,2-diylbis(2,4-dihydro-3H-1,2,4-triazol-3-one) – methanol (1/1/1), C9H11N16KO5","Zeitschrift für Kristallographie - New Crystal Structures","2016","231","3","679","680","10.1515/ncrs-2015-0218","","","0.71073","MoKα","","0.0571","0.0396","","","0.0813","0.0878","","","","","","1.002","","","","has coordinates","282036","2023-03-24","08:12:48",""
"8106975","9.054","0.001","10.5416","0.0011","20.148","0.002","91.115","0.002","95.15","0.002","99.63","0.002","1887.1","0.3","185","2","185","2","","","","","","","","5","P -1","-P 1","2","","","","- C44 H48 N4 O V -","- C44 H48 N4 O V -","- C88 H96 N8 O2 V2 -","2","1","","Ji, Xiangdong; Gao, Wei; Mu, Ying","Crystal structure of (N,N′-bis(2-(((2,6-diisopropylphenyl)imino)methyl)phenyl)benzene-1,2-diamido-κ4 O,O′,O′′,O′′′)oxidovanadium(IV), C44H48N4OV","Zeitschrift für Kristallographie - New Crystal Structures","2016","231","3","681","684","10.1515/ncrs-2015-0222","","","0.71073","MoKα","","0.0827","0.0618","","","0.1453","0.1553","","","","","","1.035","","","","has coordinates","282037","2023-03-24","09:27:08",""
"8106976","11.86217","0.00015","11.86217","0.00015","13.9664","0.0003","90","","90","","90","","1965.23","0.05","293","2","293","2","","","","","","","","4","P 41 21 2","P 4abw 2nw","92","","","","- C23 H14 I2 N2 -","- C23 H14 I2 N2 -","- C92 H56 I8 N8 -","4","0.5","","Yin, Guo-jie","Crystal structure of 5,5-bis(4-iodophenyl)-5H-cyclopenta[2,1-b:3,4-b′]dipyridine, C23H14I2N2","Zeitschrift für Kristallographie - New Crystal Structures","2016","231","3","685","686","10.1515/ncrs-2015-0225","","","1.54184","CuKα","","0.0405","0.0387","","","0.1015","0.1035","","","","","","1.045","","","","has coordinates","282038","2023-03-24","09:30:06",""
"8106977","7.8093","0.0003","23.167","0.003","14.0254","0.0004","90","","91.747","0.003","90","","2536.3","0.4","291","2","291.15","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C22 H24 Cl2 Hg N10 O -","- C22 H24 Cl2 Hg N10 O -","- C88 H96 Cl8 Hg4 N40 O4 -","4","0.5","","Yang, Hai-Yan","Crystal structure of aquadichloridobis(1-((2-methyl-1H-imidazol-1-yl)methyl)-1H-benotriazole-κN)mercury(II), C22H24Cl2HgN10O","Zeitschrift für Kristallographie - New Crystal Structures","2016","231","3","687","688","10.1515/ncrs-2015-0226","","","0.7107","MoKα","","0.0341","0.0283","","","0.0469","0.0491","","","","","","1.026","","","","has coordinates","282039","2023-03-24","09:51:32",""
"8106978","8.0382","0.0005","10.0185","0.0006","15.2333","0.0009","81.853","0.002","76.189","0.002","84.7","0.002","1177.07","0.12","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C26 H24 N4 O5 -","- C26 H24 N4 O5 -","- C52 H48 N8 O10 -","2","1","","Guang-Zhen, Liu; Xin-Wei, Li; Yun-Ping, Li","Crystal structure of 2-[4-(1H-imidazol-1-yl)phenyl]-1H-benzimidazol-3-ium [2-(carboxymethyl)phenyl]acetate monohydrate, C26H24N4O5","Zeitschrift für Kristallographie - New Crystal Structures","2016","231","3","689","691","10.1515/ncrs-2015-0233","","","0.71073","MoKα","","0.0757","0.0507","","","0.1267","0.1449","","","","","","1.029","","","","has coordinates,has disorder","282040","2023-03-24","09:55:31",""
"8106979","9.6661","0.0008","7.3063","0.0006","19.327","0.0015","90","","90","","90","","1364.94","0.19","173","2","173","2","","","","","","","","5","C m c e","-C 2ac 2","64","","4,4'bipiperidinium dichloride 0.12 hydrate","","- C10 H22.24 Cl2 N2 O0.12 -","- C10 H22.24 Cl2 N2 O0.12 -","- C40 H88.96 Cl8 N8 O0.48 -","4","0.25","","Socha, Paweƚ; Dobrzycki, Lukasz","Crystal structure of 4,4′-bipiperidinium dichloride 0.12 hydrate, C10H22N2Cl2 · 0.12 H2O","Zeitschrift für Kristallographie - New Crystal Structures","2016","231","3","693","694","10.1515/ncrs-2015-0234","","","0.71073","MoKα","","0.0448","0.0359","","","0.0947","0.1009","","","","","","1.066","","","","has coordinates","282041","2023-03-24","09:59:30",""
"8106980","6.9662","0.0008","9.0381","0.001","13.4863","0.0015","71.43","0.001","79.568","0.001","85.621","0.001","791.44","0.15","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H40 N4 Ni O15 -","- C26 H38 N4 Ni O15 -","- C26 H38 N4 Ni O15 -","1","0.5","","Li, Guan Feng; Liu, Qiu Xia; Li, Rong Fang; Feng, Xun","Crystal structure of catena-poly[tetraaqua(μ2-4,4′(E)-ethene-1,2-diyldipyridine-κ2 N:N′)nickel(II)] bis(6-methyl-2-oxo-1,2-dihydro-pyridine-4-carboxylate) pentahydrate, C26H42N4O15Ni","Zeitschrift für Kristallographie - New Crystal Structures","2016","231","3","695","697","10.1515/ncrs-2015-0238","","","0.71073","MoKα","","0.0425","0.0364","","","0.0961","0.0998","","","","","","1.062","","","","has coordinates","282042","2023-03-24","10:05:01",""
"8106981","10.4031","0.0005","11.3191","0.0005","13.254","0.0006","97.666","0.002","102.252","0.002","110.182","0.002","1394.73","0.11","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C12 H11 N5 O6 -","- C12 H11 N5 O6 -","- C48 H44 N20 O24 -","4","2","","Ghorab, Mostafa M.; Alsaid, Mansour S.; Ghabbour, Hazem A.","Crystal structure of ethyl-5-amino-1-(2,4-dinitrophenyl)-1H-pyrazole-4-carboxylate, C12H11N5O6","Zeitschrift für Kristallographie - New Crystal Structures","2016","231","3","699","701","10.1515/ncrs-2015-0239","","","0.71073","MoKα","","0.0451","0.0348","","","0.096","0.103","","","","","","1.031","","","","has coordinates","282043","2023-03-24","10:08:20",""
"8106982","3.578","0.0012","10.932","0.004","20.866","0.007","90","","94.792","0.011","90","","813.3","0.5","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C7 H4 N O4 Rh -","- C7 H4 N O4 Rh -","- C28 H16 N4 O16 Rh4 -","4","1","","Elmakki, Mohammed Abdelaziz; Koen, Renier; Venter, Johan Andries; Drost, Ruben","Crystal structure of dicarbonyl(pyridin-2-olate-1-oxido-κ2 O,O′)rhodium(I), C7H4NO4Rh","Zeitschrift für Kristallographie - New Crystal Structures","2016","231","3","703","705","10.1515/ncrs-2015-0240","","","0.71073","MoKα","","0.0397","0.0345","","","0.0712","0.0731","","","","","","1.169","","","","has coordinates","282044","2023-03-24","10:12:06",""
"8106983","17.2134","0.0006","8.2251","0.0002","22.522","0.0007","90","","90","","90","","3188.71","0.17","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C17 H21 Cl N2 S -","- C17 H21 Cl N2 S -","- C136 H168 Cl8 N16 S8 -","8","1","","Al-Omary, Fatmah A. M.; Ghabbour, Hazem A.; AlRabiah, Haitham; Al-Abdullah, Ebtehal S.; El-Emam, Ali A.","Crystal structure of 1-(adamantan-1-yl)-3-(4-chlorophenyl)thiourea, C17H21ClN2S","Zeitschrift für Kristallographie - New Crystal Structures","2016","231","3","707","709","10.1515/ncrs-2015-0241","","","0.71073","MoKα","","0.0551","0.0371","","","0.0867","0.0933","","","","","","1.066","","","","has coordinates","282045","2023-03-24","10:17:08",""
"8106984","8.1178","0.0004","7.2367","0.0004","15.2585","0.0008","90","","101.506","0.002","90","","878.36","0.08","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C9 H5 Cl N4 -","- C9 H5 Cl N4 -","- C36 H20 Cl4 N16 -","4","1","","Ghorab, Mostafa M.; Alsaid, Mansour S.; Al-Mishari, Abdullah A.; AlRuqi, Obaid S.; Ghabbour, Hazem A.","Crystal structure of 2-((2-chloropyridin-3-ylamino)methylene)malononitrile, C9H5ClN4","Zeitschrift für Kristallographie - New Crystal Structures","2016","231","3","711","713","10.1515/ncrs-2015-0242","","","0.71073","MoKα","","0.0546","0.0466","","","0.1128","0.117","","","","","","1.124","","","","has coordinates","282046","2023-03-24","10:19:33",""
"8106985","8.9531","0.0018","9.0657","0.0018","16.911","0.003","75.56","0.03","81.96","0.03","73.84","0.03","1273","0.5","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C52 H40 Cl4 N4 O12 Sr2 -","- C52 H40 Cl4 N4 O12 Sr2 -","- C52 H40 Cl4 N4 O12 Sr2 -","1","0.5","","Hu, Ling-Xia; Zhang, Bi-Song; Qiu, Jing-Ping; Wu, Chang-Sheng; Liu, Zhen-Xiang","Crystal structure of tetraaquabis(μ2-4-chlorobenzoato-κ2 O:O,O′)bis(4-chlorobenzoato-κO)bis(1,10-phenanthroline-κ2 N,N′)distrontium(II), C52H40Cl4N4O12Sr2","Zeitschrift für Kristallographie - New Crystal Structures","2016","231","3","715","717","10.1515/ncrs-2015-0243","","","0.71073","MoKα","","0.0464","0.0347","","","0.0716","0.076","","","","","","1.054","","","","has coordinates","282047","2023-03-24","10:22:46",""
"8106986","10.3868","0.0009","7.7695","0.0007","26.576","0.002","90","","90","","90","","2144.7","0.3","298","2","298","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C14 H11 N O2 -","- C14 H11 N O2 -","- C112 H88 N8 O16 -","8","1","","Xiao, Zheng-Kang; Lu, Jian-Mei","Crystal structure of 3-hydroxy-3-phenyl-1,3-dihydro-2H-indol-2-one, C14H11NO2","Zeitschrift für Kristallographie - New Crystal Structures","2016","231","3","719","720","10.1515/ncrs-2015-0244","","","0.71073","MoKα","","0.0401","0.0348","","","0.0878","0.0911","","","","","","1.069","","","","has coordinates","282048","2023-03-24","10:26:19",""
"8106987","7.6445","0.0015","7.9378","0.0016","25.741","0.005","94.51","0.03","91.76","0.03","97.34","0.03","1543.1","0.5","290","2","290","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H22 N9 Nd O17 -","- C24 H22 N9 Nd O17 -","- C48 H44 N18 Nd2 O34 -","2","1","","Bi-Song, Zhang; Ling-Xia, Hu; Chang-Sheng, Wu; Zhen-Xiang, Liu","Crystal structures of bis(1,10-phenanthrolin-1-ium) aquapentakis(nitrato-κ2 O,O′)neodym(III) monohydrate, C24H22N9NdO17","Zeitschrift für Kristallographie - New Crystal Structures","2016","231","3","721","723","10.1515/ncrs-2015-0245","","","0.71073","MoKα","","0.0301","0.0274","","","0.0662","0.0686","","","","","","1.037","","","","has coordinates","282049","2023-03-24","10:28:44",""
"8106988","9.9562","0.0008","10.7465","0.0009","13.7925","0.0011","95.143","0.004","109.97","0.003","112.229","0.004","1242.62","0.19","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","2-ethyl-1-tert-butyl 3-oxo-2-[phenyl(tert-butoxycarbonylamino)methyl]-1,2-pyrrolidinedicarboxylate","","- C24 H34 N2 O7 -","- C24 H34 N2 O7 -","- C48 H68 N4 O14 -","2","1","","Makhathini, Sifiso. S.; Samipillai, Marivel; Kruger, Hendrik G.; Govender, Thavendran; Naicker, Tricia","Crystal structure of 2-ethyl-1-tert-butyl 3-oxo-2-[phenyl(tert-butoxycarbonylamino)methyl]-1,2-pyrrolidinedicarboxylate, C24H34N2O7","Zeitschrift für Kristallographie - New Crystal Structures","2016","231","3","725","727","10.1515/ncrs-2015-0249","","","0.71073","MoKα","","0.0548","0.046","","","0.1255","0.1337","","","","","","1.058","","","","has coordinates","282050","2023-03-24","10:32:32",""
"8106989","35.076","0.003","7.5997","0.0007","18.548","0.0018","90","","117.856","0.001","90","","4371.4","0.7","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C38 H34 Cd3 N12 O18 -","- C38 H34 Cd3 N12 O18 -","- C152 H136 Cd12 N48 O72 -","4","0.5","","Miao, Shao-Bin","Crystal structure of poly[diaquabis(μ4-benzene-1,3,5-tricarboxylato-κO 1,κO 2:κO 3,κO 4:κO 5:κO 6)-bis(μ2-4,4′-benzene-1,3-diylbis(4H-1,2,4-triazole-κ2 N:N′)tricadmium(II)] tetrahydrate, C38H34Cd3N12O18","Zeitschrift für Kristallographie - New Crystal Structures","2016","231","3","729","731","10.1515/ncrs-2015-0250","","","0.71073","MoKα","","0.0352","0.0314","","","0.1194","0.1265","","","","","","1.09","","","","has coordinates","282051","2023-03-24","10:35:31",""
"8106990","16.7821","0.0007","17.1436","0.0008","11.1431","0.0005","90","","90","","90","","3205.9","0.2","150","2","150","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C20 H15.5 Cl N1.5 Pd0.5 -","- C40 H31 Cl2 N3 Pd -","- C160 H124 Cl8 N12 Pd4 -","4","0.5","","Teci, Matthieu; Brenner, Eric; Matt, Dominique; Toupet, Loïc","Crystal structure of trans-dichlorido[1,3-bis(9-methyl-9H-fluoren-9-yl) benzimidazol-2-ylidene](pyridine)palladium(II) – a compound with anagostic CH–Pd interactions, C40H31Cl2N3Pd","Zeitschrift für Kristallographie - New Crystal Structures","2016","231","3","733","735","10.1515/ncrs-2015-0251","","","0.71073","MoKα","","0.0834","0.0394","","","0.0752","0.0817","","","","","","0.837","","","","has coordinates","282197","2023-04-03","07:09:42",""
"8106991","9.94","0.0009","10.1638","0.0008","13.0867","0.0011","97.678","0.007","94.73","0.007","98.694","0.007","1288.09","0.19","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H22 N6 O5 Zn -","- C28 H22 N6 O5 Zn -","- C56 H44 N12 O10 Zn2 -","2","1","","Miao, Juan; Wei, Xue-Feng; Shi, Ling-Ling","Crystal structure of catena-poly[(μ3-5-(4-(tetrazol-1-id-5-yl)phenoxy)benzene-1,3-dicarboxyato-κ3 O:O′:N)(4-(3-(pyridin-4-yl)propyl)pyridinium-κN)zinc(II)], C28H22ZnN6O5","Zeitschrift für Kristallographie - New Crystal Structures","2016","231","3","737","739","10.1515/ncrs-2015-0252","","","0.71073","MoKα","","0.1072","0.0692","","","0.1404","0.1587","","","","","","1.097","","","","has coordinates","282198","2023-04-03","07:20:59",""
"8106992","8.9817","0.0014","11.5791","0.0019","12.065","0.002","90","","102.289","0.004","90","","1226","0.3","173","2","173","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C15 H9 N5 -","- C15 H9 N5 -","- C60 H36 N20 -","4","1","","Gichumbi, Joel M.; Friedrich, Holger B.; Omondi, Bernard","Crystal structure of 3,6-di-2-pyridinyl-4-pyridazine carbonitrile, C15H9N5","Zeitschrift für Kristallographie - New Crystal Structures","2016","231","3","741","743","10.1515/ncrs-2015-0253","","","0.71073","MoKα","","0.0912","0.0533","","","0.1327","0.1512","","","","","","1.061","","","","has coordinates","282199","2023-04-03","07:29:17",""
"8106993","6.222","0.002","13.705","0.005","21.903","0.008","90","","90","","90","","1867.7","1.1","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C20 H34 O4 -","- C20 H34 O4 -","- C80 H136 O16 -","4","1","","Zhao, Chen-Liang; Zhang, Jing-Jie; Zhang, Qi-Long; Pan, Lu-Tai","Crystal structure of 5,5,9,13-tetramethyltetracyclo[10·2·1·01,10·04,9]pentadecane-3,7,14-triol, C20H34O4","Zeitschrift für Kristallographie - New Crystal Structures","2016","231","3","745","746","10.1515/ncrs-2015-0254","","","0.71073","MoKα","","0.1091","0.0627","","","0.1393","0.1736","","","","","","1.033","","","","has coordinates","282200","2023-04-03","07:32:49",""
"8106994","10.707","0.005","8.749","0.005","15.002","0.006","90","","103.65","0.02","90","","1365.6","1.2","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C16 H12 N2 O3 -","- C16 H12 N2 O3 -","- C64 H48 N8 O12 -","4","1","","Song, Jing","Crystal structure of 2-amino-7-methyl-5-oxo-4-phenyl-4H,5H-pyrano[4,3-b]pyran-3-carbonitrile, C16H12N2O3","Zeitschrift für Kristallographie - New Crystal Structures","2016","231","3","747","748","10.1515/ncrs-2015-0255","","","0.71073","MoKα","","0.1156","0.0557","","","0.1013","0.1309","","","","","","1.059","","","","has coordinates","282201","2023-04-03","07:35:21",""
"8106995","8.3116","0.0017","19.439","0.004","11.437","0.002","90","","98.11","0.03","90","","1829.4","0.6","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C21 H16 N2 O6 Pb -","- C21 H16 N2 O6 Pb -","- C84 H64 N8 O24 Pb4 -","4","1","","Qiao, Mu; Wang, Dehui; Sun, Linping","Crystal structure of the poly[(1,10-phenanthroline-κ2 N,N′)(μ3-carboxylatophenoxyacetato-κ4 O,O′:O′′;O′′′)lead(II)] monohydrate, C21H16N2O6Pb","Zeitschrift für Kristallographie - New Crystal Structures","2016","231","3","749","750","10.1515/ncrs-2015-0256","","","0.71073","MoKα","","0.0867","0.0485","","","0.08","0.0895","","","","","","1.034","","","","has coordinates","282202","2023-04-03","07:38:28",""
"8106996","13.174","0.003","21.479","0.004","17.797","0.006","90","","124.23","0.02","90","","4164","2","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C94 H64 N4 O16 Pr2 S4 -","- C94 H64 N4 O16 Pr2 S4 -","- C188 H128 N8 O32 Pr4 S8 -","2","0.5","","Qiao, Mu; Wang, Dehui; Lin-ping, Sun","Crystal structure of the poly[(μ4-biphenyl-4,4′-dicarboxylato-κ4 O:O′:O′′:O′′′) bis(μ3-8-(11-(oxysulfonyl)-4-silbenyl)-2-(oxysulfonyl)stilbene-κ4 O:O′:O′′,O′′′) bis(1,10-phenanthroline-k2 N,N′) dipraseodymium(III)], C94H64N4O16Pr2S4","Zeitschrift für Kristallographie - New Crystal Structures","2016","231","3","751","753","10.1515/ncrs-2015-0257","","","0.71073","MoKα","","0.1144","0.0599","","","0.1148","0.1364","","","","","","1.04","","","","has coordinates","282203","2023-04-03","07:41:26",""
"8106997","9.2343","0.0019","10.218","0.002","10.4199","0.0018","72.629","0.008","74.494","0.007","86.61","0.009","904","0.3","153","2","153","2","","","","","","","","4","P -1","-P 1","2","","","","- C19 H17 I O7 -","- C19 H17 I O7 -","- C38 H34 I2 O14 -","2","1","","Wang, Shuang-Yan; Wei, Qun","Crystal structure of 3-iodo-5-methoxy-7-(methoxymethoxy)-4-(3-methoxyphenoxy)-2H-chromen-2-one, C19H17IO7","Zeitschrift für Kristallographie - New Crystal Structures","2016","231","3","755","757","10.1515/ncrs-2015-0258","","","0.71073","MoKα","","0.0338","0.0289","","","0.0644","0.067","","","","","","0.999","","","","has coordinates,has disorder","282204","2023-04-03","08:08:35",""
"8106998","13.828","0.003","15.892","0.003","15.634","0.003","90","","95.687","0.002","90","","3418.7","1.2","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C36 H33 Er N4 O16 -","- C36 H33 Er N4 O16 -","- C144 H132 Er4 N16 O64 -","4","0.5","","Wang, Xiao-Ning; Li, Fei-Fei","Crystal structure of poly[(5-carboxy-2,6-dimethylpyridinium-3-carboxylato-κO)tris(μ2-2,6-dimethylpyridinium-3,5-dicarboxylato-κ3 O,O′:O′′)erbium(III)], C36H33ErN4O16","Zeitschrift für Kristallographie - New Crystal Structures","2016","231","3","759","761","10.1515/ncrs-2015-0259","","","0.71073","MoKα","","0.0245","0.0216","","","0.049","0.0501","","","","","","1.061","","","","has coordinates","282205","2023-04-03","08:22:26",""
"8106999","6.002","0.0012","6.765","0.0014","11.831","0.002","89.39","0.03","86.29","0.03","66.5","0.03","439.55","0.18","293","2","293","2","","","","","","","","6","P 1","P 1","1","","","","- C17 H20 F2 N4 O3 S -","- C17 H20 F2 N4 O3 S -","- C17 H20 F2 N4 O3 S -","1","1","","Wang, Kun-Yan; Yang, Xiao-Li","This molecule targets at type 2 diabetes - a single crystal study on (2R,3S,5R)-2-(2,5-difluorophenyl)-5-[2-(methylsulfonyl)-2,6-dihydropyrrolo[3,4-c]pyrazol-5(4H)-yl] tetrahydro-2H-pyran-3-amine (Omarigliptin), C17H20F2N4O3S","Zeitschrift für Kristallographie - New Crystal Structures","2016","231","3","763","765","10.1515/ncrs-2015-0260","","","0.71073","MoKα","","0.0611","0.0543","","","0.1506","0.1568","","","","","","1.002","","","","has coordinates","282206","2023-04-03","08:26:03",""
"8107000","8.9023","0.0006","9.9553","0.0007","13.2658","0.001","111.048","0.002","96.277","0.002","105.763","0.002","1027.58","0.13","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H19 N5 O4 Zn -","- C22 H19 N5 O4 Zn -","- C44 H38 N10 O8 Zn2 -","2","1","","Jing, Liu; Di, Wang; Ying-Ying, Wu","Crystal structure of poly[(μ2-2,2′-benzene-1,2-diyldiacetato-κ2 O:O′), (μ2-1-(4-(1H-imidazol-1-yl)benzyl)-1H-1,2,4-triazole-κ2 N:N′)zinc(II)], C22H19N5O4Zn","Zeitschrift für Kristallographie - New Crystal Structures","2016","231","3","767","769","10.1515/ncrs-2015-0261","","","0.71073","MoKα","","0.0463","0.0371","","","0.085","0.0896","","","","","","1.059","","","","has coordinates","282207","2023-04-03","08:30:16",""
"8107001","14.5686","0.0005","7.9292","0.0003","18.6519","0.0006","90","","111.302","0.001","90","","2007.41","0.12","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H20 Mn O15 -","- C16 H20 Mn O15 -","- C64 H80 Mn4 O60 -","4","1","","Jing, Liu; Jing-Wen, Li","Crystal structure of tetraaqua(μ2-3-(3,5-dicarboxyphenoxy)benzene-1,2-dicarboxylato-κ2 O:O′)manganese(II) dihydrate, C16H20O15Mn","Zeitschrift für Kristallographie - New Crystal Structures","2016","231","3","771","773","10.1515/ncrs-2015-0262","","","0.71073","MoKα","","0.0303","0.0267","","","0.0711","0.0735","","","","","","1.036","","","","has coordinates","282208","2023-04-03","08:34:08",""
"8107002","7.2964","0.0001","13.1899","0.0002","10.6087","0.0002","90","","94.763","0.001","90","","1017.44","0.03","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C10 H8 N2 O2 S -","- C10 H8 N2 O2 S -","- C40 H32 N8 O8 S4 -","4","0.5","","Chen, Hui; Liu, Rui-Heng; Guo, Hui","Crystal structure of 4,4′-sulfonyldipyridine, C10H8N2O2S","Zeitschrift für Kristallographie - New Crystal Structures","2016","231","3","775","776","10.1515/ncrs-2015-0264","","","0.71073","MoKα","","0.0389","0.0344","","","0.0983","0.1025","","","","","","1.057","","","","has coordinates","282209","2023-04-03","08:37:26",""
"8107003","7.5459","0.0003","25.4267","0.0009","17.0478","0.0006","90","","91.718","0.002","90","","3269.4","0.2","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C18 H15 Cl F N3 O -","- C18 H15 Cl F N3 O -","- C144 H120 Cl8 F8 N24 O8 -","8","2","","Aljohar, Haya I.; Ghabbour, Hazem A.; Al-Tamimi, Abdul-Malek S.; AlRabiah, Haitham; El-Emam, Ali A.","Crystal structure of 4-[(E)-(2-chloro-6-fluorobenzylidene)amino]-1,2-dihydro-2,3-dimethyl-1-phenylpyrazol-5-one, C18H15ClFN3O","Zeitschrift für Kristallographie - New Crystal Structures","2016","231","3","777","780","10.1515/ncrs-2015-0265","","","1.54178","CuKα","","0.1696","0.0669","","","0.104","0.1263","","","","","","1.031","","","","has coordinates,has disorder","282210","2023-04-03","08:40:16",""
"8107004","9.1734","0.0016","9.5433","0.0018","12.342","0.002","92.4","0.006","105.46","0.005","99.472","0.005","1023","0.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","Carbonyl-(2-oxopyridin-1(2<i>H</i>)-olato-κ^2^<i>O</i>, <i>O</i>')(triphenylphosphine)rhodium(I)","","- C24 H19 N O3 P Rh -","- C24 H19 N O3 P Rh -","- C48 H38 N2 O6 P2 Rh2 -","2","1","","Elmakki, Mohammed A.; Koen, Renier; Drost, Ruben M.; Alexander, Orbett T.; Venter, Gertruida J. S.; Venter, Johan A.","Crystal structure of carbonyl(2-oxopyridin-1(2H)-olato-κ2 O, O′)(triphenylphosphine-κP)rhodium(I), C24H19NO3PRh","Zeitschrift für Kristallographie - New Crystal Structures","2016","231","3","781","783","10.1515/ncrs-2015-0266","","","0.71073","MoKα","","0.0265","0.0236","","","0.0576","0.06","","","","","","1.083","","","","has coordinates,has disorder","282211","2023-04-03","08:42:58",""
"8107005","15.2953","0.0019","14.9696","0.0019","12.4221","0.0015","90","","92.725","0.002","90","","2841","0.6","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C22 H22 Br2 Co N4 O13 -","- C22 H22 Br2 Co N4 O13 -","- C88 H88 Br8 Co4 N16 O52 -","4","0.5","","Ding, Rui-Fang; Sun, Shan-Shan","Crystal structure of diaquabis(2-(3-bromophenyl)-5-carboxy-1H-imidazol-4-carboxylato-κ2 O,N) cobalt(II) trihydrate, C22H22Br2CoN4O13","Zeitschrift für Kristallographie - New Crystal Structures","2016","231","3","785","787","10.1515/ncrs-2015-0267","","","0.71073","MoKα","","0.0482","0.0356","","","0.0924","0.0967","","","","","","1.057","","","","has coordinates","282236","2023-04-04","08:50:10",""
"8107006","12.0784","0.0004","5.3304","0.0002","8.937","0.0003","90","","108.263","0.002","90","","546.4","0.03","296","2","296","2","","","","","","","","5","P 1 c 1","P -2yc","7","","","","- C11 H10 N2 O2 S -","- C11 H10 N2 O2 S -","- C22 H20 N4 O4 S2 -","2","1","","Liu, Rui-Heng; Qin, Zhao-Xian; Guo, Hui","Crystal structure of 4-(pyridin-4-ylmethylsulfonyl)pyridine, C11H10N2O2S","Zeitschrift für Kristallographie - New Crystal Structures","2016","231","3","789","790","10.1515/ncrs-2015-0268","","","0.71073","MoKα","","0.0335","0.0303","","","0.0759","0.0782","","","","","","1.058","","","","has coordinates","282237","2023-04-04","08:55:27",""
"8107007","8.6567","0.0009","4.9722","0.0005","12.0437","0.0011","90","","112.676","0.006","90","","478.32","0.08","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C2 H3 Cu N4 S -","- C2 H3 Cu N4 S -","- C8 H12 Cu4 N16 S4 -","4","1","","Liu, Gang; Zhang, Shuang","Crystal structure of poly[(μ4-1-methyl-1H-tetrazole-5-thiolato-κ3 S:S:N:N′)copper(I)], C2H3CuN4S","Zeitschrift für Kristallographie - New Crystal Structures","2016","231","3","791","792","10.1515/ncrs-2015-0269","","","0.71073","MoKα","","0.0254","0.0246","","","0.085","0.0862","","","","","","1.007","","","","has coordinates","282238","2023-04-04","08:57:36",""
"8107008","20.4949","0.0009","9.9752","0.0003","16.8927","0.0006","90","","124.945","0.004","90","","2830.9","0.2","296","2","296","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C20 H24 Cl2 N4 O14 S2 Zn -","- C20 H24 Cl2 N4 O14 S2 Zn -","- C80 H96 Cl8 N16 O56 S8 Zn4 -","4","0.5","","Qin, Zhao-Xian; Han, Shu-Yan; Liu, Rui-Heng","Crystal structure of poly[diaquabis(μ2-4,4′-sulfinyldipyridine-κ2 N,N′)zinc(II)] diperchlorate dihydrate, C20H24N4O14S2Cl2Zn","Zeitschrift für Kristallographie - New Crystal Structures","2016","231","3","793","794","10.1515/ncrs-2015-0270","","","0.71073","MoKα","","0.0631","0.0406","","","0.1011","0.1135","","","","","","1.04","","","","has coordinates,has disorder","282239","2023-04-04","09:01:33",""
"8107009","9.8678","0.0004","13.874","0.0006","14.7557","0.0006","90","","90","","90","","2020.14","0.15","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C18 H25 Br2 N3 Pd -","- C18 H25 Br2 N3 Pd -","- C72 H100 Br8 N12 Pd4 -","4","1","","Li, Guo-Xing","Crystal structure of (1-((1-benzylpyrrolidin-2-yl-κN)methyl)-3-isopropyl-1H-imidazol-2(3H)-ylidene–κC)dibromidopalladium(II), C18H25Br2N3Pd","Zeitschrift für Kristallographie - New Crystal Structures","2016","231","3","795","796","10.1515/ncrs-2015-0271","","","0.71073","MoKα","","0.0194","0.0182","","","0.0443","0.0445","","","","","","1.088","","","","has coordinates","282240","2023-04-04","09:04:11",""
"8107010","6.0371","0.0003","16.6146","0.0007","6.7815","0.0003","90","","90","","90","","680.21","0.05","295","","295","","","","","","","","","3","P b c m","-P 2c 2b","57","","pentacalcium tetranitridovanadate(V) mononitride","","- Ca5 N5 V -","- Ca5 N5 V -","- Ca20 N20 V4 -","4","0.5","","Ovchinnikov, Alexander; Höhn, Peter","Crystal structure of pentacalcium tetranitridovanadate(V) mononitride based on a powder diffraction study, Ca5[VN4]N","Zeitschrift für Kristallographie - New Crystal Structures","2016","231","3","797","798","10.1515/ncrs-2015-0272","powder diffraction","","1.54056","CuKα~1~","","0.0348","0.0335","","0.0379","0.0378","","","","0.9","","","","","","","has coordinates","282241","2023-04-04","09:22:29",""
"8107011","9.646","0.0018","13.883","0.003","14.52","0.003","90","","90","","90","","1944.5","0.7","298","2","298","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C17 H23 Cl2 N3 Pd -","- C17 H23 Cl2 N3 Pd -","- C68 H92 Cl8 N12 Pd4 -","4","1","","Qian, Peng-Cheng","Crystal structure of ((1-((1-benzylpyrrolidin-2-yl)methyl)-3-ethyl-1H-imidazol-2(3H)-ylidene)-κ2 C,N)dichloridopalladium(II), C17H23Cl2N3Pd","Zeitschrift für Kristallographie - New Crystal Structures","2016","231","3","799","800","10.1515/ncrs-2015-0273","","","0.71073","MoKα","","0.0381","0.0373","","","0.0911","0.0917","","","","","","1.168","","","","has coordinates,has disorder","282242","2023-04-04","09:25:24",""
"8107012","8.996","0.0002","15.9202","0.0004","13.2049","0.0003","90","","94.369","0.001","90","","1885.69","0.08","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H17 Cl2 N O2 -","- C22 H17 Cl2 N O2 -","- C88 H68 Cl8 N4 O8 -","4","1","","Sultan, Mujeeb A.; Karama, Usama; Almansour, Abdulrahman I.; Al-saeedi, Adel; Ghabbour, Hazem A.","Crystal structure of 9-allyl-4,5-dichloro-12-cyano-9,10-dihydro-9,10-ethanoanthracen-12-yl acetate, C22H17Cl2NO2","Zeitschrift für Kristallographie - New Crystal Structures","2016","231","3","801","803","10.1515/ncrs-2015-0274","","","1.54178","CuKα","","0.0487","0.042","","","0.1179","0.1237","","","","","","1.053","","","","has coordinates","282245","2023-04-04","09:28:36",""
"8107013","9.0429","0.0007","9.5752","0.0011","11.8422","0.0015","70.954","0.011","84.794","0.008","72.691","0.008","925.34","0.19","173.01","0.1","173.01","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C18 H19 Br N2 O5 -","- C18 H19 Br N2 O5 -","- C36 H38 Br2 N4 O10 -","2","1","","Dong, Xiu-Yan; Liu, Jia-Cheng","Crystal structure of 4-bromo-2-(8-(3-ethoxy-2-hydroxyphenyl)-3,6-dioxa-2,7-diazaocta-1,7-dien-1-yl)phenol, C18H19BrN2O5","Zeitschrift für Kristallographie - New Crystal Structures","2016","231","3","805","807","10.1515/ncrs-2015-0275","","","0.71073","MoKα","","0.0887","0.0511","","","0.0737","0.0876","","","","","","0.997","","","","has coordinates","282247","2023-04-04","09:32:27",""
"8107014","7.5411","0.0002","11.5148","0.0002","12.537","0.0002","90","","90","","90","","1088.64","0.04","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C11 H14 N2 O2 -","- C11 H14 N2 O2 -","- C44 H56 N8 O8 -","4","1","","El-Hiti, Gamal A.; Smith, Keith; Hegazy, Amany S.; Alanazi, Saud A.; Kariuki, Benson M.","Crystal structure of 3-tert-butyl-3-hydroxy-1,3-dihydro-2H-pyrrolo[3,2-c]pyridin-2-one, C11H14N2O2","Zeitschrift für Kristallographie - New Crystal Structures","2016","231","3","809","810","10.1515/ncrs-2015-0276","","","1.54184","CuKα","","0.0323","0.0301","","","0.081","0.0826","","","","","","1.036","","","","has coordinates","282252","2023-04-04","09:35:21",""
"8107015","13.76","0.004","14.079","0.004","16.317","0.005","90","","98.604","0.006","90","","3125.5","1.6","293","2","293","2","","","","","","","","6","P 1 2/c 1","-P 2yc","13","","","","- C26 H20 Br4 N8 Ni O3 -","- C26 H20 Br4 N8 Ni O3 -","- C104 H80 Br16 N32 Ni4 O12 -","4","1","","Meng, Jiang Ping; Liu, Xuan Lin; Xu, Qiang","Crystal structure of diaquabis(3-(3,5-dibromophenyl)-5-(pyridin-2-yl)-1,2,4-triazol-4-ido-κ2 N,N′)nickel(II) mono hydrate, C26H20Br4N8NiO3","Zeitschrift für Kristallographie - New Crystal Structures","2016","231","3","811","813","10.1515/ncrs-2015-0277","","","0.71073","MoKα","","0.2223","0.0719","","","0.1144","0.1376","","","","","","1.19","","","","has coordinates,has disorder","282258","2023-04-04","09:38:11",""
"8107016","13.1987","0.0005","10.2772","0.0004","14.173","0.0006","90","","92.655","0.002","90","","1920.44","0.13","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C20 H22 F3 N3 O S -","- C20 H22 F3 N3 O S -","- C80 H88 F12 N12 O4 S4 -","4","1","","Al-Wabli, Reem I.; El-Emam, Nada A.; Ghabbour, Hazem A.; Haress, Nadia G.; El-Emam, Ali A.","Crystal structure of 5-(adamantan-1-yl)-3-[(2-trifluoromethylanilino)methyl]-2,3-dihydro-1,3,4-oxadiazole-2-thione, C20H22F3N3OS","Zeitschrift für Kristallographie - New Crystal Structures","2016","231","3","815","817","10.1515/ncrs-2015-0278","","","0.71073","MoKα","","0.0577","0.0536","","","0.1532","0.1612","","","","","","1.092","","","","has coordinates","282265","2023-04-04","09:44:11",""
"8107017","11.0118","0.0007","11.5684","0.0007","11.7276","0.0007","112.294","0.001","100.557","0.001","105.775","0.002","1259.57","0.14","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H33 F N2 O7 -","- C24 H33 F N2 O7 -","- C48 H66 F2 N4 O14 -","2","1","","Makhathini, Sifiso S.; Samipillai, Marivel; Govender, Thavendran; Naicker, Tricia","Crystal structure of 2-ethyl-1-tert-butyl-2-((4-fluorophenyl)(tert-butoxycarbonylamino)methyl)-3-oxo-pyrrolidine-1,2-dicarboxylate, C24H33FN2O7","Zeitschrift für Kristallographie - New Crystal Structures","2016","231","3","819","821","10.1515/ncrs-2015-0280","","","0.71073","MoKα","","0.0586","0.0411","","","0.0956","0.105","","","","","","1.022","","","","has coordinates","282371","2023-04-05","07:00:31",""
"8107018","10.745","0.002","10.993","0.002","11.141","0.002","84.45","0.03","81.22","0.03","69.46","0.03","1216.5","0.5","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C52 H32 F4 N6 O14 Tb2 -","- C52 H32 F4 N6 O14 Tb2 -","- C52 H32 F4 N6 O14 Tb2 -","1","0.5","","Wen-Hua, Wu; Du, Lin; Zheng, Yan-Rui; Qu, Ya-Jie","Crystal structure of bis(μ2-2-fluorobenzoato-κ2 O:O:O′) bis(μ2-2-fluorobenzoato-κ2 O:O′)dinitrato-κ2 O,O′ bis(1,10-phenathroline-κ2 N,N′)diterbium(III), C52H32F4N6O14Tb2","Zeitschrift für Kristallographie - New Crystal Structures","2016","231","3","823","825","10.1515/ncrs-2015-0282","","","0.71073","MoKα","","0.0421","0.0345","","","0.0887","0.0992","","","","","","1.113","","","","has coordinates,has disorder","282372","2023-04-05","07:04:11",""
"8107019","9.5273","0.0001","14.885","0.0002","17.582","0.0002","90","","91.188","0.001","90","","2492.84","0.05","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H43.33 N2 O3.67 S -","- C22 H43.3334 N2 O3.6667 S -","- C88 H173.334 N8 O14.6668 S4 -","4","1","","Cai, Yuanyuan; Sun, Ning","Crystal structure of tetrabutylammonium 4-aminobenzenesulfonate 2/3 hydrate, C22H42N2O3S · 2/3 H2O","Zeitschrift für Kristallographie - New Crystal Structures","2016","231","3","827","829","10.1515/ncrs-2015-0283","","","0.71073","MoKα","","0.0843","0.0526","","","0.1278","0.1459","","","","","","1.02","","","","has coordinates","282373","2023-04-05","07:13:16",""
"8107020","7.1396","0.0004","9.2946","0.0005","13.4298","0.0007","90","","115.688","0.004","90","","803.12","0.08","296","2","296","2","","","","","","","","5","P 1 c 1","P -2yc","7","","","","- C14 H26 N2 O3 S -","- C14 H26 N2 O3 S -","- C28 H52 N4 O6 S2 -","2","1","","Sun, Ning; Cai, Yuanyuan","Crystal structure of tetraethylammonium 4-aminobenzenesulfonate, C14H26N2O3S","Zeitschrift für Kristallographie - New Crystal Structures","2016","231","3","831","832","10.1515/ncrs-2015-0284","","","0.71073","MoKα","","0.0364","0.0341","","","0.0941","0.0961","","","","","","1.054","","","","has coordinates","282374","2023-04-05","07:18:22",""
"8107021","7.0287","0.0013","10.1881","0.002","15.3494","0.0029","86.513","0.003","88.854","0.003","75.047","0.003","1060","0.3","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C18 H20 N6 O9 -","- C18 H20 N6 O9 -","- C36 H40 N12 O18 -","2","1","","Wu, Xiangxiang; Liu, Xianghua","Crystal structure of bis(guanidinium) 3,3′-oxybis(6-carboxybenzoate), C18H20N6O9","Zeitschrift für Kristallographie - New Crystal Structures","2016","231","3","833","834","10.1515/ncrs-2015-0285","","","0.71073","MoKα","","0.0504","0.0427","","","0.1336","0.1409","","","","","","1.123","","","","has coordinates","282375","2023-04-05","07:21:08",""
"8107022","10.9734","0.0004","11.8835","0.0005","13.0996","0.0005","78.581","0.002","78.542","0.001","83.725","0.002","1636.68","0.11","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C18 H16 N4 O2 -","- C18 H16 N4 O2 -","- C72 H64 N16 O8 -","4","2","","Karrouchi, Khalid; Radi, Smaail; Ansar, M'hammed; Taoufik, Jamal; Ghabbour, Hazem A.; Mabkhot, Yahia N.","Crystal structure of N′-(4-methoxybenzylidene)-5-phenyl-1H-pyrazole-3-carbohydrazide, C18H16N4O2","Zeitschrift für Kristallographie - New Crystal Structures","2016","231","3","835","837","10.1515/ncrs-2015-0286","","","0.71073","MoKα","","0.0587","0.0439","","","0.1104","0.1182","","","","","","1.045","","","","has coordinates","282376","2023-04-05","07:23:33",""
"8107023","20.1049","0.0008","11.1534","0.0004","6.889","0.0003","90","","97.224","0.002","90","","1532.51","0.11","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H13 N5 O3 -","- C17 H13 N5 O3 -","- C68 H52 N20 O12 -","4","1","","Karrouchi, Khalid; Radi, Smaail; Ansar, Mhammed; Taoufik, Jamal; Ghabbour, Hazem A.; Mabkhot, Yahia N.","Crystal structure of N′-(4-nitrobenzylidene)-5-phenyl-1H-pyrazole-3-carbohydrazide, C17H13N5O3","Zeitschrift für Kristallographie - New Crystal Structures","2016","231","3","839","841","10.1515/ncrs-2015-0287","","","0.71073","MoKα","","0.0619","0.0451","","","0.1054","0.1153","","","","","","1.033","","","","has coordinates","282377","2023-04-05","07:26:38",""
"8107024","7.71","0.002","5.701","0.002","19.053","0.006","90","","99.031","0.006","90","","827.1","0.4","296","2","296","2","","","","","","","","5","P 1 c 1","P -2yc","7","","","","- C18 H19 N O3 S -","- C18 H19 N O3 S -","- C36 H38 N2 O6 S2 -","2","1","","Barakat, Assem; Ali, M.; Al-Majid, Abdullah Mohammed; Islam, Mohammad Shahidul; Ghabbour, Hazem A.","Crystal structure of 5-((4-bromophenyl)(2-hydroxy-6-oxocyclohex-1-en-1-yl)methyl)-6-hydroxy-1,3-dimethylpyrimidine-2,4(1H,3H)-dione, C19H19BrN2O5","Zeitschrift für Kristallographie - New Crystal Structures","2016","231","3","843","845","10.1515/ncrs-2015-0288","","","0.71073","MoKα","","0.0449","0.0361","","","0.0835","0.0885","","","","","","1.043","","","","has coordinates","282378","2023-04-05","07:29:36",""
"8107025","18.228","0.002","10.039","0.0011","11.0314","0.0012","90","","107.484","0.003","90","","1925.4","0.4","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H31 Cl N2 O2 -","- C19 H31 Cl N2 O2 -","- C76 H124 Cl4 N8 O8 -","4","1","","Ghabbour, Hazem A.; El-Bendary, Eman R.; El-Ashmawy, Mahmoud B.; El-Kerdawy, Mohamed M.","Crystal structure of 3-(((cyclohexyl(phenyl)methylidene)amino)oxy)-2-hydroxy-N-(propan-2-yl)propan-1-aminium chloride, C19H31ClN2O2","Zeitschrift für Kristallographie - New Crystal Structures","2016","231","3","847","848","10.1515/ncrs-2015-0289","","","0.71073","MoKα","","0.0781","0.0627","","","0.1533","0.1626","","","","","","1.037","","","","has coordinates","282379","2023-04-05","07:32:54",""
"8107026","10.392","0.0006","10.7709","0.0008","14.881","0.0011","90","","90","","90","","1665.6","0.2","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C19 H20 N2 O5 -","- C19 H20 N2 O5 -","- C76 H80 N8 O20 -","4","1","","Barakat, Assem; Al-Majid, Abdullah Mohammed; Ali, M.; Ghabbour, Hazem A.; Al-Marashdah, M.S.; Siddiqui, Mohammed Rafiq","Crystal structure of 6-hydroxy-5-((2-hydroxy-6-oxocyclohex-1-en-1-yl)(phenyl)methyl)-1,3-dimethylpyrimidine-2,4(1H,3H)-dione, C19H20N2O5","Zeitschrift für Kristallographie - New Crystal Structures","2016","231","3","849","851","10.1515/ncrs-2015-0290","","","0.71073","MoKα","","0.0941","0.0504","","","0.0934","0.1068","","","","","","1.053","","","","has coordinates","282380","2023-04-05","07:35:18",""
"8107027","11.2908","0.0002","8.3281","0.0002","16.1037","0.0003","90","","94.453","0.001","90","","1509.67","0.05","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C17 H9 Br N2 O2 S -","- C17 H9 Br N2 O2 S -","- C68 H36 Br4 N8 O8 S4 -","4","1","","Ghabbour, Hazem A.; Kadi, Adnan A.; El-Subbagh, Hussein I.","Crystal structure of 2-(4-(4-bromophenyl)thiazol-2-yl)isoindoline-1,3-dione, C17H9BrN2O2S","Zeitschrift für Kristallographie - New Crystal Structures","2016","231","3","853","854","10.1515/ncrs-2015-0291","","","1.54178","CuKα","","0.0376","0.0348","","","0.1168","0.1204","","","","","","1.034","","","","has coordinates","282381","2023-04-05","07:38:44",""
"8107028","13.642","0.003","10.787","0.002","11.551","0.002","90","","110.73","0.03","90","","1589.8","0.6","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C24 H16 O -","- C24 H16 O -","- C96 H64 O4 -","4","1","","Ran, Zhang; Fang-Fang, Han; Li-Fang, Zhang","Crystal structure of 2-(4-methylbenzoyl)pyrene, C24H16O","Zeitschrift für Kristallographie - New Crystal Structures","2016","231","3","855","857","10.1515/ncrs-2015-0292","","","0.71073","MoKα","","0.0572","0.0506","","","0.1424","0.1482","","","","","","1.013","","","","has coordinates","282382","2023-04-05","07:41:53",""
"8107029","9.8377","0.0005","9.6008","0.0005","17.5784","0.0011","90","","113.107","0.004","90","","1527.08","0.15","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C14 H14 Br Cl N2 O S -","- C14 H14 Br Cl N2 O S -","- C56 H56 Br4 Cl4 N8 O4 S4 -","4","1","","Ghabbour, Hazem A.; Al-Omar, Mohamed A.","Crystal structure of N-(5-bromo-4-(p-tolyl)thiazol-2-yl)-4-chlorobutanamide, C14H14BrClN2OS","Zeitschrift für Kristallographie - New Crystal Structures","2016","231","3","859","860","10.1515/ncrs-2015-0293","","","1.54178","CuKα","","0.0724","0.0665","","","0.1556","0.1597","","","","","","0.979","","","","has coordinates","282383","2023-04-05","07:44:55",""
"8107030","6.8853","0.0003","23.8495","0.001","7.5689","0.0003","90","","96.585","0.002","90","","1234.7","0.09","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H12 N2 S -","- C15 H12 N2 S -","- C60 H48 N8 S4 -","4","1","","Ghabbour, Hazem A.; Abdel-Aziz, Hatem A.; AlRabiah, Haitham; Alruqi, Obaid S.","Crystal structure of 4,5-diphenylthiazol-2-amine, C15H12N2S","Zeitschrift für Kristallographie - New Crystal Structures","2016","231","3","861","862","10.1515/ncrs-2015-0294","","","0.71073","MoKα","","0.0755","0.0506","","","0.1143","0.1243","","","","","","1.016","","","","has coordinates","282384","2023-04-05","07:47:21",""
"8107031","9.4277","0.0016","10.9506","0.0018","12.689","0.002","86.356","0.002","76.565","0.002","89.669","0.002","1271.5","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H18 N8 O4 Pb -","- C28 H18 N8 O4 Pb -","- C56 H36 N16 O8 Pb2 -","2","1","","Chen, Shi-Jun; Li, Lei; Liu, Bao-Wei; Ji, Ke-Zhi; Xia, Xiao-Dong; Mu, Kai; Liu, Wei","Crystal structure of poly[bis(μ2-4-(3-(pyridin-3-yl)-1H-1,2,4-triazol-5-yl)benzoato-κ3 N:O,O′)-lead(II)], C28H18O4N8Pb","Zeitschrift für Kristallographie - New Crystal Structures","2016","231","3","863","865","10.1515/ncrs-2015-0296","","","0.71073","MoKα","","0.0388","0.0295","","","0.0614","0.0808","","","","","","1.123","","","","has coordinates","282385","2023-04-05","07:50:04",""
"8107032","10.1973","0.0003","9.9487","0.0004","23.1332","0.0008","90","","90","","90","","2346.86","0.14","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C11 H14 N2 O3 S -","- C11 H14 N2 O3 S -","- C88 H112 N16 O24 S8 -","8","1","","Ghorab, Mostafa M.; Alsaid, Mansour S.; Ghabbour, Hazem A.; Al-Mishari, Abdullah A.","Crystal structure of (Z)-4-(4-oxopent-2-en-2-ylamino)benzenesulfonamide, C11H14N2O3S","Zeitschrift für Kristallographie - New Crystal Structures","2016","231","3","867","869","10.1515/ncrs-2015-0297","","","0.71073","MoKα","","0.0611","0.0527","","","0.1341","0.1407","","","","","","1.042","","","","has coordinates","282386","2023-04-05","07:53:18",""
"8107033","22.818","0.005","10.714","0.002","19.163","0.004","90","","102.43","0.03","90","","4575","1.7","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C44 H54 Cd2 N4 O12 -","- C44 H54 Cd2 N4 O12 -","- C176 H216 Cd8 N16 O48 -","4","0.5","","Li, Shi-Hui; Zhang, Li","Crystal structure of poly[(μ2-2-methyl-1-(4-(2-methyl-2H-benzo[d] imidazol-1(7aH)-yl)butyl)-1H-benzo[d]imidazole-κ2 N:N′)bis(μ3-5-tert-butylbenzene-1,3-dicarboxylato-κ4 O:O,O′:O′′,O′′′)dicadmium(II)] tetrahydrate, C44H54Cd2N4O12","Zeitschrift für Kristallographie - New Crystal Structures","2016","231","3","871","873","10.1515/ncrs-2015-0299","","","0.71073","MoKα","","0.0465","0.0381","","","0.0955","0.1077","","","","","","1.156","","","","has coordinates","282387","2023-04-05","07:56:09",""
"8107034","11.8533","0.0004","7.1975","0.0003","23.549","0.0007","90","","115.181","0.002","90","","1818.14","0.12","293","2","293","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C42 H28 Cd N2 O17 -","- C42 H28 Cd N2 O17 -","- C84 H56 Cd2 N4 O34 -","2","0.5","","Xia, Wei; Liu, Peng-Jun; Li, Gui-Juan","Crystal structure of catena-poly-[aqua(μ2-4,4′-bipyridine-κ2 N:N′)bis(3′,5,5′-tricarboxybiphenyl-2-carboxylato-κ2 O,O′)cadmium(II)], C42H28N2O17Cd","Zeitschrift für Kristallographie - New Crystal Structures","2016","231","3","875","877","10.1515/ncrs-2015-0301","","","0.71073","MoKα","","0.024","0.022","","","0.0601","0.0615","","","","","","1.076","","","","has coordinates","282388","2023-04-05","08:26:28",""
"8107035","19.3","0.002","10.8262","0.0011","15.4282","0.0016","90","","100.457","0.004","90","","3170.1","0.6","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C15 H20 Cl N3 O -","- C15 H20 Cl N3 O -","- C120 H160 Cl8 N24 O8 -","8","1","","Wan-Ming, Xiong; Juan-Hua, Kong; Jing, Chen; Jin-Zhu, Chen; Xu-Liang, Nie","Crystal structure of (2RS,3RS)-1-(4-chlorophenyl)-4,4-dimethyl-2-(1H-1,2,4-triazol-1-yl)pentan-3-ol, C15H20ClN3O","Zeitschrift für Kristallographie - New Crystal Structures","2016","231","3","879","881","10.1515/ncrs-2015-0302","","","0.71073","MoKα","","0.0523","0.0409","","","0.105","0.115","","","","","","1.077","","","","has coordinates,has disorder","282389","2023-04-05","08:29:12",""
"8107036","11.8865","0.0006","12.6289","0.0007","13.5579","0.0007","74.552","0.002","83.174","0.002","62.534","0.002","1740.56","0.16","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C19 H19 N5 O -","- C19 H19 N5 O -","- C76 H76 N20 O4 -","4","2","","Karrouchi, Khalid; Radi, Smaail; Ansar, M-hammed; Taoufik, Jamal; Ghabbour, Hazem A.; Mabkhot, Yahia N.","Crystal structure of N′-(4-(dimethylamino)benzylidene)-5-phenyl-1H-pyrazole-3-carbohydrazide, C19H19N5O","Zeitschrift für Kristallographie - New Crystal Structures","2016","231","3","883","886","10.1515/ncrs-2015-0303","","","0.71073","MoKα","","0.099","0.061","","","0.1472","0.1713","","","","","","1.005","","","","has coordinates","282390","2023-04-05","08:36:34",""
"8107037","14.9084","0.0006","11.2339","0.0004","9.4417","0.0004","90","","102.331","0.002","90","","1544.81","0.11","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C18 H14 F N3 O S -","- C18 H14 F N3 O S -","- C72 H56 F4 N12 O4 S4 -","4","1","","El-Hiti, Gamal A.; Abdel-Wahab, Bakr F.; Baashen, Mohammed; Ghabbour, Hazem A.; Alruqi, Obaid S.","Crystal structure of 3-(benzofuran-2-yl)-5-(4-fluorophenyl)-4,5-dihydro-1Hpyrazole-1-carbothioamide, C18H14FN3OS","Zeitschrift für Kristallographie - New Crystal Structures","2016","231","3","887","888","10.1515/ncrs-2015-0304","","","0.71073","MoKα","","0.0466","0.0365","","","0.0899","0.0953","","","","","","1.048","","","","has coordinates,has disorder","282392","2023-04-05","08:39:42",""
"8107038","11.1339","0.0016","6.1262","0.0009","14.771","0.002","90","","103.567","0.005","90","","979.4","0.2","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C22 H30 O6 -","- C22 H30 O6 -","- C44 H60 O12 -","2","1","","Ye, Jiang-Hai; Zhang, Jing-Jie; Zhao, Chen-Liang; Zhang, Qi-Long; Pan, Lu-Tai","Crystal structure of ent-1β-acetoxy-7α,14α-di-hydroxy-7β,20-epoxykaur-16-en-15-one, C22H30O6","Zeitschrift für Kristallographie - New Crystal Structures","2016","231","3","889","890","10.1515/ncrs-2015-0305","","","0.71073","MoKα","","0.0467","0.0412","","","0.1066","0.1165","","","","","","1.001","","","","has coordinates","282393","2023-04-05","08:42:52",""
"8107039","5.979","0.004","16.735","0.012","20.323","0.015","90","","90","","90","","2033","2","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C22 H30 O6 -","- C22 H30 O6 -","- C88 H120 O24 -","4","1","","Liu, Ya-Hua; Zhang, Jing-Jie; Ye, Jiang-Hai; Zhao, Chen-Liang; Pan, Lu-Tai","Crystal structure of 1α,7β-dihydroxy-11β-acetoxy-ent-7β,20-epoxykaur-16-en-15-one, C22H30O6","Zeitschrift für Kristallographie - New Crystal Structures","2016","231","3","891","892","10.1515/ncrs-2015-0306","","","0.71073","MoKα","","0.0888","0.0498","","","0.1052","0.1209","","","","","","0.991","","","","has coordinates","282394","2023-04-05","08:47:11",""
"8107040","9.111","0.003","9.535","0.003","11.331","0.004","90","","92.703","0.004","90","","983.3","0.6","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C22 H32 O6 -","- C22 H32 O6 -","- C44 H64 O12 -","2","1","","Lv, Jun; Ye, Jiang-Hai; Yang, Li-Yong; Zhao, Chen-Liang; Zhang, Jing-Jie; Pan, Lu-Tai","Crystal structure of 7β,14β,15β-trihydroxy-1α-acetoxy-7α,20-epoxy-ent-kaurane, C22H32O6","Zeitschrift für Kristallographie - New Crystal Structures","2016","231","3","893","894","10.1515/ncrs-2015-0307","","","0.71073","MoKα","","0.0465","0.0418","","","0.1097","0.1152","","","","","","1.064","","","","has coordinates","282395","2023-04-05","08:49:24",""
"8107041","8.435","0.003","11.693","0.004","18.015","0.006","90","","90","","90","","1776.8","1.1","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C20 H28 O5 -","- C20 H28 O5 -","- C80 H112 O20 -","4","1","","Xin, Lai-Xiang; Zhang, Jing-Jie; Ye, Jiang-Hai; Zhao, Chen-Liang; Pan, Lu-Tai","Crystal structure of ent-1β,7α,11α-trihydroxy-7β,20-epoxykaur-16-en-15-one, C20H28O5","Zeitschrift für Kristallographie - New Crystal Structures","2016","231","3","895","896","10.1515/ncrs-2015-0308","","","0.71073","MoKα","","0.0391","0.0364","","","0.0914","0.0933","","","","","","1.073","","","","has coordinates","282450","2023-04-06","06:40:02",""
"8107042","7.4196","0.0002","16.7276","0.0004","15.4905","0.0003","90","","113.207","0.001","90","","1767","0.07","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H34 O32 Zn5 -","- C20 H34 O32 Zn5 -","- C40 H68 O64 Zn10 -","2","0.5","","Ma, Fa-Xue; Zhao, Dan; Yang, Rui-Juan; Huang, Min","Crystal structure of poly-[tetraaquabis(μ8-benzene-1,2,4,5-tetracarboxylato-1κ3 O 4:O 6:O 8:2κ4 O 2:O 2:O 5:O 5:3κ4 O 1:O 3:O 5:O 7)(di-μ3-hydroxido)-pentazinc(II)] decahydrate, C20H34O32Zn5","Zeitschrift für Kristallographie - New Crystal Structures","2016","231","3","897","899","10.1515/ncrs-2015-0310","","","0.71073","MoKα","","0.0829","0.0503","","","0.1283","0.1432","","","","","","1.027","","","","has coordinates","282451","2023-04-06","06:45:47",""
"8107043","7.4803","0.0003","8.4562","0.0003","9.3531","0.0003","67.688","0.001","74.017","0.001","85.008","0.001","526.07","0.03","200","2","200","2","","","","","","","","4","P -1","-P 1","2","","1-(4-methylthiazol-2-yl)-3-propylthiourea","","- C8 H13 N3 S2 -","- C8 H13 N3 S2 -","- C16 H26 N6 S4 -","2","1","","Jambi, Suhair M.S.; Al-Obaid, Abdulrahman M.; Hosten, Eric C.; Betz, Richard; Bari, Ahmed","Crystal structure of 1-(4-methylthiazol-2-yl)-3-propylthiourea, C8H13N3S2","Zeitschrift für Kristallographie - New Crystal Structures","2016","231","3","901","902","10.1515/ncrs-2016-0001","","","0.71073","MoKα","","0.028","0.0256","","","0.0714","0.0736","","","","","","1.056","","","","has coordinates","282452","2023-04-06","06:49:33",""
"8107044","5.9245","0.0002","17.7243","0.0006","10.2915","0.0004","90","","95.352","0.001","90","","1075.97","0.07","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C11 H17 N O2 -","- C11 H17 N O2 -","- C44 H68 N4 O8 -","4","1","","Ghorab, Mostafa M.; Alsaid, Mansour S.; Ghabbour, Hazem A.; Al-Mishari, Abdullah A.","Crystal structure of 2-((dimethylamino)methylene)-5,5-Dimethylcyclohexane-1,3-dione, C11H17NO2","Zeitschrift für Kristallographie - New Crystal Structures","2016","231","3","903","905","10.1515/ncrs-2016-0002","","","0.71073","MoKα","","0.0599","0.0419","","","0.1057","0.1156","","","","","","0.973","","","","has coordinates","282453","2023-04-06","06:52:31",""
"8107045","22.112","0.004","9.21","0.0018","22.977","0.005","90","","93.24","0.03","90","","4671.8","1.6","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C24 H19 Cd N2 O5 -","- C24 H19 Cd N2 O5 -","- C192 H152 Cd8 N16 O40 -","8","1","","Xu, Chunying; Chu, Wenjuan; Lei, Song; Yang, Xuechun","Crystal structure of poly[1,4-bis(2-methylbenzimidazol)butane-κ2 N:N′)bis(4,4′-oxybis(benzoato-κ4 O,O′:O′′,O′′′)dicadmium] monohydrate, C48H38Cd2N4O10","Zeitschrift für Kristallographie - New Crystal Structures","2016","231","3","907","909","10.1515/ncrs-2016-0003","","","0.71073","MoKα","","0.0389","0.0341","","","0.0834","0.0868","","","","","","1.056","","","","has coordinates","282454","2023-04-06","06:54:58",""
"8107046","6.4955","0.0002","14.6143","0.0005","22.6492","0.0008","90","","94.568","0.001","90","","2143.2","0.12","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C26 H17 Cl F N3 O S -","- C26 H17 Cl F N3 O S -","- C104 H68 Cl4 F4 N12 O4 S4 -","4","1","","El-Hiti, Gamal A.; Abdel-Wahab, Bakr F.; Baashen, Mohammed; Ghabbour, Hazem A.","Crystal structure of 2-(3-(benzofuran-2-yl)-5-(4-fluorophenyl)-4,5-dihydro-1H-pyrazol-1-yl)-4-(4-chlorophenyl)thiazole, C26H17ClFN3OS","Zeitschrift für Kristallographie - New Crystal Structures","2016","231","3","911","912","10.1515/ncrs-2016-0004","","","0.71073","MoKα","","0.0781","0.0461","","","0.0969","0.1069","","","","","","1.014","","","","has coordinates","282455","2023-04-06","06:57:42",""
"8107047","8.7451","0.0017","8.9609","0.0018","12.81","0.003","80.31","0.03","82.66","0.03","69.9","0.03","926.6","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H19 N2 O4 Zn -","- C22 H19 N2 O4 Zn -","- C44 H38 N4 O8 Zn2 -","2","1","","Xu, Chunying; Liu, Lu; Su, Tong; Li, Shenshen","Crystal structure of bis(μ3-isophthalato-κ 3 O:O′:O′′)(μ2-1,4-\ bis((2-propyl-1H-benzo[d]imidazol-1-yl)methyl)benzene-κ2 N:N′)dizinc(II), C22H19N2O4Zn","Zeitschrift für Kristallographie - New Crystal Structures","2016","231","3","913","915","10.1515/ncrs-2016-0005","","","0.71073","MoKα","","0.0398","0.0358","","","0.0737","0.0763","","","","","","0.983","","","","has coordinates,has disorder","282456","2023-04-06","07:15:54",""
"8107048","13.144","0.003","9.0091","0.0018","15.468","0.003","90","","112.56","0.03","90","","1691.5","0.7","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H19 N2 O4 Zn -","- C18 H19 N2 O4 Zn -","- C72 H76 N8 O16 Zn4 -","4","1","","Xu, Chunying; Fu, Liyan; Lou, Xinhua","Crystal structure of poly[bis(adipate-κ4 O,O′:O′′, O′′′)(1,4-bis(2-methyl-1H-benzo[d]imidazol-1-yl)benzene-κ2 N:N′)dizinc(II), C36H38N4O8Zn2","Zeitschrift für Kristallographie - New Crystal Structures","2016","231","3","917","919","10.1515/ncrs-2016-0006","","","0.71073","MoKα","","0.0538","0.0468","","","0.0938","0.098","","","","","","1.053","","","","has coordinates","282457","2023-04-06","07:20:51",""
"8107049","14.4148","0.0006","16.7684","0.0007","13.7178","0.0005","90","","102.791","0.001","90","","3233.5","0.2","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C40 H45 B N2 O -","- C40 H45 B N2 O -","- C160 H180 B4 N8 O4 -","4","1","","Ghabbour, Hazem A.; Al-Majed, Abdulrahman; Alruqi, Obaid S.; Mostafa, Gamal A. E.","Crystal structure of N-(2-(2-oxoindolin-4-yl)ethyl)-N-propylpropan-1-aminium tetraphenylborate, C40H45BN2O","Zeitschrift für Kristallographie - New Crystal Structures","2016","231","3","921","923","10.1515/ncrs-2016-0007","","","0.71073","MoKα","","0.0649","0.0424","","","0.1007","0.1128","","","","","","1.046","","","","has coordinates","282458","2023-04-06","07:26:20",""
"8107050","12.4674","0.0006","6.7357","0.0003","14.0709","0.0006","90","","98.189","0.002","90","","1169.58","0.09","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C12 H11 N O S2 -","- C12 H11 N O S2 -","- C48 H44 N4 O4 S8 -","4","1","","Mabkhot, Yahia N.; Ghabbour, Hazem A.; Al-Aizari, Faiz A.; Al-Showiman, Salim","Crystal structure of 1-(2,3-dihydro-4-methyl-3-phenyl-2-thioxothiazol-5-yl)-1-ethanone, C12H11NOS2","Zeitschrift für Kristallographie - New Crystal Structures","2016","231","3","925","926","10.1515/ncrs-2016-0008","","","0.71073","MoKα","","0.0434","0.0316","","","0.0738","0.0802","","","","","","1.037","","","","has coordinates","282459","2023-04-06","07:28:32",""
"8107051","14.7561","0.0008","24.6766","0.0013","7.7811","0.0004","90","","95.888","0.002","90","","2818.4","0.3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C31 H36 F2 N6 S -","- C31 H36 F2 N6 S -","- C124 H144 F8 N24 S4 -","4","1","","Al-Alshaikh, Monirah A.; Ghabbour, Hazem A.; Abuelizz, Hatem A.; Alruqi, Obaid S.; El-Emam, Ali A.","Crystal structure of 3-(adamantan-1-yl)-1-[(4-benzylpiperazin-1-yl)methyl]-4-[(E)-(2,6-difluorobenzylidene)amino]-1H-1,2,4-triazole-5(4H)-thione, C31H36F2N6S","Zeitschrift für Kristallographie - New Crystal Structures","2016","231","3","927","929","10.1515/ncrs-2016-0009","","","0.71073","MoKα","","0.0921","0.0624","","","0.1332","0.1445","","","","","","1.088","","","","has coordinates","282460","2023-04-06","07:32:09",""
"8107052","10.2342","0.0009","11.9953","0.001","12.098","0.0009","90","","116.283","0.006","90","","1331.6","0.2","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C13 H7 Cl N4 S2 -","- C13 H7 Cl N4 S2 -","- C52 H28 Cl4 N16 S8 -","4","1","","Al-Omary, Fatmah A. M.; Ghabbour, Hazem A.; AlRabiah, Haitham; Al-Wahaibi, Lamya H.; El-Emam, Ali A.","Crystal structure of 6-(4-chlorophenyl)-3-(thiophen-2-yl)-[1,2,4]triazolo[3,4-b][1,3,4]-thiadiazole, C13H7ClN4S2","Zeitschrift für Kristallographie - New Crystal Structures","2016","231","3","931","932","10.1515/ncrs-2016-0010","","","0.71073","MoKα","","0.0878","0.0573","","","0.1456","0.1675","","","","","","1.014","","","","has coordinates","282461","2023-04-06","07:36:59",""
"8107053","16.8578","0.0005","7.6646","0.0002","16.744","0.0005","90","","94.7894","0.0015","90","","2155.91","0.11","293","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C4 H16 N2 Pd Se12 -","- C4 H16 N2 Pd Se12 -","- C16 H64 N8 Pd4 Se48 -","4","0.5","","Kim, Kang-Woo; Wang, Di","Crystal structure of bis(ethanaminium) poly[bis(hexaselenido-κ 2 Se 1,Se 6)palladate(II)], C4H16N2PdSe12","Zeitschrift für Kristallographie - New Crystal Structures","2016","231","3","933","934","10.1515/ncrs-2016-0011","","","0.71073","MoKα","","0.0428","0.0351","","","0.0702","0.0722","","","","","","1.089","","","","has coordinates","282463","2023-04-06","07:40:31",""
"8107054","13.0921","0.0019","5.674","0.0008","14.417","0.002","90","","106.217","0.005","90","","1028.3","0.3","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C26 H19 N3 O S -","- C26 H19 N3 O S -","- C52 H38 N6 O2 S2 -","2","1","","El-Hiti, Gamal A.; Abdel-Wahab, Bakr F.; Ajarim, Mansour D.; Alobaid, Abdulrahman M.; Ghabbour, Hazem A.","Crystal structure of 2-(3-(benzofuran-2-yl)-5-phenyl-4,5-dihydro-1H-pyrazol-1-yl)-4-phenylthiazole, C26H19N3OS","Zeitschrift für Kristallographie - New Crystal Structures","2016","231","3","935","936","10.1515/ncrs-2016-0012","","","0.71073","MoKα","","0.1164","0.0564","","","0.0773","0.0913","","","","","","1.028","","","","has coordinates","282464","2023-04-06","07:44:05",""
"8107055","8.5232","0.0017","9.947","0.002","11.555","0.002","72.76","0.03","77.78","0.03","70.13","0.03","873.2","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H15 N2 O5 Zn -","- C20 H15 N2 O5 Zn -","- C40 H30 N4 O10 Zn2 -","2","1","","Xu, Chunying; Lou, Xinhua; Wang, Shimin","Crystal structure of poly-[bis(μ 3-5-hydroxyisophtalato-κ3 O:O′:O′′)(μ 2-1,4-bis(2-ethylbenzimidazol-1-ylmethyl)benzene-κ2 N:N′)dizinc(II)], C40H30N4O5Zn2","Zeitschrift für Kristallographie - New Crystal Structures","2016","231","3","937","938","10.1515/ncrs-2016-0013","","","0.71073","MoKα","","0.0416","0.0363","","","0.0821","0.0852","","","","","","1.049","","","","has coordinates","282471","2023-04-06","08:21:47",""
"8107056","9.5486","0.0019","10.578","0.002","11.088","0.002","98.7","0.03","102.22","0.03","114.43","0.03","960","0.5","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C44 H38 N4 O8 Zn2 -","- C44 H38 N4 O8 Zn2 -","- C44 H38 N4 O8 Zn2 -","1","0.5","","Xu, Chunying; Liu, Lu; Xinhua, Lou; Wang, Shimin","Crystal structure of poly-[(μ-1,4-bis(2-ethylbenzimidazol-1-ylmethyl)benzene-κ2 N:N′)-bis(μ4-2,2′-(1,3-phenylene)diacetate-κ4 O:O′:O′′:O′′′)dizinc(II)], C44H38N4O8Zn2","Zeitschrift für Kristallographie - New Crystal Structures","2016","231","3","939","941","10.1515/ncrs-2016-0014","","","0.71073","MoKα","","0.033","0.0305","","","0.0633","0.0645","","","","","","1.062","","","","has coordinates","282472","2023-04-06","08:24:30",""
"8107057","14.91","0.0005","17.2508","0.0006","16.0857","0.0006","90","","90","","90","","4137.4","0.3","173","2","173","2","","","","","","","","4","P c c a","-P 2a 2ac","54","","","","- C42 H46 N2 O4 -","- C42 H46 N2 O4 -","- C168 H184 N8 O16 -","4","0.5","","Elaieb, Fethi; Sémeril, David; Matt, Dominique; Hedhli, Ahmed","Crystal structure of 5,17-bis-cyano-25,26,27,28-tetrapropyloxy-calix[4]arene, C42H46N2O4","Zeitschrift für Kristallographie - New Crystal Structures","2016","231","3","943","945","10.1515/ncrs-2016-0015","","","0.71073","MoKα","","0.0934","0.071","","","0.2152","0.2308","","","","","","1.071","","","","has coordinates,has disorder","282473","2023-04-06","08:36:17",""
"8107058","10.314","0.002","18.29","0.004","16.516","0.006","90","","113.91","0.02","90","","2848.3","1.4","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C64 H54 Cd2 N8 O11 -","- C64 H54 Cd2 N8 O11 -","- C128 H108 Cd4 N16 O22 -","2","0.5","","Xu, Chunying; Liu, Lu; Lou, Xinhua","Crystal structure of poly-[μ-1,4-bis(2-ethylbenzimidazol-1-ylmethyl)benzene-κ2 N:N′)-bis(μ3-5-hydroxyisophthalate(2–)-κ3 O,O′:O′′)dicadmium(II)] monohydrate, C64H54N8O11Cd2","Zeitschrift für Kristallographie - New Crystal Structures","2016","231","3","947","949","10.1515/ncrs-2016-0017","","","0.71073","MoKα","","0.0526","0.044","","","0.084","0.089","","","","","","1.033","","","","has coordinates","282502","2023-04-07","06:55:27",""
"8107059","9.0684","0.0018","12.585","0.003","12.697","0.003","101.14","0.03","106.98","0.03","102.06","0.03","1304.3","0.7","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C52 H42 Cd2 N4 O14 -","- C52 H38 Cd2 N4 O12 S2 -","- C52 H38 Cd2 N4 O12 S2 -","1","0.5","","Xu, Chunying; Tang, Siye; Chu, Wenjuan","Crystal structure of poly-[μ-1,4-bis(2-ethylbenzimidazol-1-ylmethyl)benzene-κ2 N:N′)-bis(μ4-4,4′-sulfonyldibenzoato-κ4 O:O′:O′′:O′′′)dicadmium(II)] monohydrate, C52H42N4O14Cd2","Zeitschrift für Kristallographie - New Crystal Structures","2016","231","3","951","953","10.1515/ncrs-2016-0018","","","0.71073","MoKα","","0.0303","0.0276","","","0.083","0.0853","","","","","","1.04","","","","has coordinates","282503","2023-04-07","06:59:28",""
"8107060","13.24","0.003","9.0565","0.0018","15.553","0.003","90","","112.85","0.03","90","","1718.6","0.7","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C38 H42 N4 O8 Zn2 -","- C38 H42 N4 O8 Zn2 -","- C76 H84 N8 O16 Zn4 -","2","0.5","","Xu, Chunying; Tang, Siye; Lou, Xinhua","Crystal structure of poly-[bis(μ4-adipato-κ4 O:O′:O′′:O′′′)(μ2-1,4-bis((2-ethyl-1H-benzo[d]imidazol-1-yl)methyl)benzene-κ2 N:N′)dizinc(II)], C38H42N4O8Zn2","Zeitschrift für Kristallographie - New Crystal Structures","2016","231","3","955","956","10.1515/ncrs-2016-0019","","","0.71073","MoKα","","0.063","0.0549","","","0.0911","0.0948","","","","","","1.035","","","","has coordinates","282504","2023-04-07","07:02:21",""
"8107061","10.0231","0.0014","10.7318","0.0016","11.2419","0.0017","90","","106.637","0.007","90","","1158.6","0.3","296","2","296.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C12 H15 Cl O3 -","- C12 H15 Cl O3 -","- C48 H60 Cl4 O12 -","4","1","","Li, Zhong-Yan; Yuan, Lin; Zhang, Min; Yuan, Xian-You","Crystal structure of (2-(2-chlorophenyl)-5-methyl-1,3-dioxan-5-yl)methanol, C12H15ClO3","Zeitschrift für Kristallographie - New Crystal Structures","2016","231","3","957","958","10.1515/ncrs-2016-0020","","","0.71073","MoKα","","0.1548","0.0493","","","0.1607","0.1879","","","","","","1.155","","","","has coordinates","282505","2023-04-07","07:04:46",""
"8107062","12.872","0.004","8.311","0.002","24.598","0.007","90","","92.556","0.003","90","","2628.9","1.3","296","2","296.15","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C13 H15 Br O4 -","- C13 H15 Br O4 -","- C104 H120 Br8 O32 -","8","2","","Jia, Guo-Kai; Yuan, Lin; Zhang, Min; Yuan, Xian-You","Crystal structure of 2-(4-Bromophenyl)-5-ethyl-1,3-dioxane-5-carboxylic acid, C13H15BrO4","Zeitschrift für Kristallographie - New Crystal Structures","2016","231","3","959","960","10.1515/ncrs-2016-0021","","","0.71073","MoKα","","0.0454","0.0357","","","0.0874","0.0932","","","","","","1.0454","","","","has coordinates","282506","2023-04-07","07:07:16",""
"8107063","9.8235","0.0007","10.3354","0.0007","13.9981","0.001","99.853","0.003","95.106","0.003","108.139","0.003","1315.22","0.16","296","2","296.15","","","","","","","","","4","P -1","-P 1","2","","","","- C13 H17 Br O3 -","- C13 H17 Br O3 -","- C52 H68 Br4 O12 -","4","2","","Zhang, Xing-Yu; Yuan, Lin; Zhang, Min; Yuan, Xian-You","Crystal structure of (2-(4-bromophenyl)-5-ethyl-1,3-dioxan-5-yl)methanol, C13H17BrO3","Zeitschrift für Kristallographie - New Crystal Structures","2016","231","3","961","963","10.1515/ncrs-2016-0022","","","0.71073","MoKα","","0.0435","0.034","","","0.1014","0.1245","","","","","","1.076","","","","has coordinates","282507","2023-04-07","07:11:21",""
"8107064","8.2615","0.0007","8.7262","0.0007","11.6521","0.0009","105.872","0.007","104.107","0.007","95.738","0.007","771.02","0.12","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C17 H13 F3 N2 O2 -","- C17 H13 F3 N2 O2 -","- C34 H26 F6 N4 O4 -","2","1","","Liu, Zhi-Min","Crystal structure of 3-((1,3,5,7-tetraoxo-6-(pyridin-3-ylmethyl)-3,3a,4,4a,5,6,7,7a,8,8a-decahydro-4,8-ethenopyrrolo[3,4-f]isoindol-2(1H)-yl)methyl)pyridin-1-ium-κN-trichloridocobalt(II) hemihydrate, C24H22Cl3CoN4O4.5","Zeitschrift für Kristallographie - New Crystal Structures","2016","231","3","965","966","10.1515/ncrs-2016-0024","","","0.71073","MoKα","","0.0797","0.0548","","","0.1137","0.1332","","","","","","0.854","","","","has coordinates,has disorder","282508","2023-04-07","07:14:24",""
"8107065","32.98","0.002","24.6827","0.0018","4.4872","0.0003","90","","90","","90","","3652.7","0.4","293","2","293","2","","","","","","","","5","F d d 2","F 2 -2d","43","","","","- C17 H15 Cl3 N2 O4 -","- C17 H15 Cl3 N2 O4 -","- C136 H120 Cl24 N16 O32 -","8","0.5","","Li, Xu; Li, Na; Zhao, Li","Crystal structure of 4-chloro-4′,6′-dichloro-2,2′-[propane-1,3-diyldioxybis(nitrilomethylidyne)]-diphenol, C17H14Cl3N2O4","Zeitschrift für Kristallographie - New Crystal Structures","2016","231","3","967","968","10.1515/ncrs-2016-0025","","","0.71073","MoKα","","0.0938","0.0787","","","0.1817","0.1892","","","","","","1.196","","","","has coordinates,has disorder","282509","2023-04-07","07:17:06",""
"8107066","8.2615","0.0007","8.7262","0.0007","11.6521","0.0009","105.872","0.007","104.107","0.007","95.738","0.007","771.02","0.12","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C17 H13 F3 N2 O2 -","- C17 H13 F3 N2 O2 -","- C34 H26 F6 N4 O4 -","2","1","","Bu, Xian-Zhong; Shi, Juan-Juan; Gao, Ke; Long, Tao","Crystal structure of 2-amino-4-(3-trifluoromethylphenyl)-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile, C17H13F3N2O2","Zeitschrift für Kristallographie - New Crystal Structures","2016","231","3","969","970","10.1515/ncrs-2016-0026","","","0.71073","MoKα","","0.0797","0.0548","","","0.1137","0.1332","","","","","","0.854","","","","has coordinates,has disorder","282510","2023-04-07","07:21:59",""
"8107067","18.661","0.007","12.003","0.004","21.043","0.008","90","","111.632","0.004","90","","4381","3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C48 H32 N10 O4 Zn -","- C48 H32 N10 O4 Zn -","- C192 H128 N40 O16 Zn4 -","4","1","","Zheng, Huirong; Lou, Benyong; Zhang, Mei","Crystal structure of bis(benzoato-κO)bis(4,4′-((1H-1,2,4-triazol-1-yl)methylene)dibenzonitrile-κN)zinc(II), C48H32N10O4Zn","Zeitschrift für Kristallographie - New Crystal Structures","2016","231","3","971","973","10.1515/ncrs-2016-0027","","","0.71073","MoKα","","0.079","0.0539","","","0.1093","0.121","","","","","","1.092","","","","has coordinates","282511","2023-04-07","07:52:48",""
"8107068","6.524","0.003","17.561","0.009","6.989","0.004","90","","100.058","0.007","90","","788.4","0.7","296","2","296","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C10 H8 O2 -","- C10 H8 O2 -","- C40 H32 O8 -","4","1","","Fan-Xin, Zeng; Xu-Liang, Nie; Xin-Chen, Shang-guan; Zhong-Ping, Yin; Da-Yong, Peng","Crystal structure of 3-methyl-2H-chromen-2-one, C10H8O2","Zeitschrift für Kristallographie - New Crystal Structures","2016","231","3","975","976","10.1515/ncrs-2016-0028","","","0.71073","MoKα","","0.0817","0.0418","","","0.091","0.1069","","","","","","0.972","","","","has coordinates","282512","2023-04-07","07:55:52",""
"8107069","11.0862","0.0019","11.77","0.002","12.37","0.002","83.124","0.002","70.915","0.002","86.075","0.002","1513.7","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C34 H24 Co N4 O10 -","- C34 H24 Co N4 O10 -","- C68 H48 Co2 N8 O20 -","2","1","","Xia, Wei; Liu, Peng-Jun; Li, Gui-Juan","Crystal structure of catena-poly-[aqua-(2-carboxy-5-(3-carboxy-5-carboxylatophenoxy)benzoato-κO)(μ2-4,4′-di(1H-imidazol-1-yl)-1,1′-biphenyl-κ2 N:N′)cobalt(II)], C34H24N4O10Co","Zeitschrift für Kristallographie - New Crystal Structures","2016","231","3","977","979","10.1515/ncrs-2016-0029","","","0.71073","MoKα","","0.0702","0.0458","","","0.1191","0.1505","","","","","","1.093","","","","has coordinates","282513","2023-04-07","07:59:19",""
"8107070","10.5381","0.001","11.2172","0.0011","14.0925","0.0013","73.912","0.003","68.626","0.003","62.739","0.003","1366.7","0.2","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- C36 H28 N8 -","- C35.5 H27.9 N8.4 -","- C71 H55.8 N16.8 -","2","1","","Wu, Hai-Xia; Zheng, Min; Guo, Jin-Bo","Crystal structure of 4,4′-di(1H-imidazol-1-yl)-1,1′-biphenyl, C36H28N8","Zeitschrift für Kristallographie - New Crystal Structures","2016","231","3","981","982","10.1515/ncrs-2016-0031","","","0.71073","MoKα","","0.0947","0.0593","","","0.1295","0.1429","","","","","","1.162","","","","has coordinates,has disorder","282514","2023-04-07","08:02:50",""
"8107071","15.7303","0.0006","9.1129","0.0003","19.9295","0.0008","90","","109.143","0.002","90","","2698.89","0.18","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C32 H37 B Cl N -","- C32 H37 B Cl N -","- C128 H148 B4 Cl4 N4 -","4","1","","Mostafa, Gamal A.E.; Ghabbour, Hazem A.","Crystal structure of 1-(3-chloropropyl)piperidin-1-ium tetraphenylborate, C32H37BClN","Zeitschrift für Kristallographie - New Crystal Structures","2016","231","3","983","985","10.1515/ncrs-2016-0035","","","0.71073","MoKα","","0.074","0.0483","","","0.1123","0.1265","","","","","","0.961","","","","has coordinates","282515","2023-04-07","08:05:28",""
"8107072","24.367","0.003","6.2556","0.0006","20.854","0.002","90","","110.016","0.002","90","","2986.8","0.5","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C17 H17 N O4 -","- C17 H17 N O4 -","- C136 H136 N8 O32 -","8","1","","Sun, Weixuan; Fang, Xuedong; Zang, Hu","Crystal structure of dimethyl 5-(benzylamino)isophthalate, C17H17NO4","Zeitschrift für Kristallographie - New Crystal Structures","2016","231","3","987","988","10.1515/ncrs-2016-0039","","","0.71073","MoKα","","0.1146","0.0539","","","0.1251","0.1578","","","","","","0.985","","","","has coordinates","282516","2023-04-07","08:08:41",""
"8107073","13.492","0.006","9.259","0.004","15.993","0.008","90","","94.009","0.009","90","","1993","1.6","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C24 H23 N O4 -","- C24 H23 N O4 -","- C96 H92 N4 O16 -","4","1","","Li, Yaping; Sun, Dajun; Ming, Julia; Su, Guanfang","Crystal structure of dimethyl 5-(dibenzylamino)isophthalate, C24H23NO4","Zeitschrift für Kristallographie - New Crystal Structures","2016","231","3","989","990","10.1515/ncrs-2016-0043","","","0.71073","MoKα","","0.0744","0.0409","","","0.1015","0.1201","","","","","","1.022","","","","has coordinates","282517","2023-04-07","08:11:52",""
"8107074","9.8658","0.0007","11.7298","0.0009","31.96","0.002","90","","90","","90","","3698.5","0.5","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C21 H29 N3 S -","- C21 H29 N3 S -","- C168 H232 N24 S8 -","8","1","","Al-Abdullah, Ebtehal S.; Ghabbour, Hazem A.; Alkahtani, Hamad M.; Al-Tamimi, Abdul-Malek S.; El-Emam, Ali A.","Crystal structure of N-(adamantan-1-yl)-4-phenylpiperazine-1-carbothioamide, C21H29N3S","Zeitschrift für Kristallographie - New Crystal Structures","2016","231","3","991","993","10.1515/ncrs-2016-0056","","","0.71073","MoKα","","0.0703","0.0644","","","0.1631","0.1684","","","","","","1.056","","","","has coordinates","282518","2023-04-07","08:14:32",""
"8107075","8.0695","0.0003","14.5673","0.0005","19.1743","0.0006","90","","99.692","0.003","90","","2221.78","0.13","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C22 H28 Br Mn N2 O4 -","- C22 H28 Br Mn N2 O4 -","- C88 H112 Br4 Mn4 N8 O16 -","4","1","","Li, Shengli; Li, Zhenhua; Kong, Lingqian; Ju, Xiuping","Crystal structure of (2,2′(cyclohexane-1,2-diylbis(nitrilo(E)methylylidene))diphenolato-κ4 O,O′,N,N′)dimethanolmanganese(III) bromide, C22H28BrMnN2O4","Zeitschrift für Kristallographie - New Crystal Structures","2016","231","3","995","997","10.1515/ncrs-2014-8069","","","0.71073","MoKα","","0.0601","0.0413","","","0.0848","0.0929","","","","","","1.078","","","","has coordinates","282519","2023-04-07","08:22:42",""
"8107076","11.9915","0.0006","18.993","0.001","10.5332","0.0005","90","","112.155","0.002","90","","2221.9","0.2","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H34.34 N3 O5.67 -","- C22 H34.334 N3 O5.667 -","- C88 H137.336 N12 O22.668 -","4","1","","Schutte-Smith, Marietjie; Eselem Bungu, Paul Severin; Steyl, Gideon; Roodt, Andreas","Crystal structure of 3,5,7-tris(morpholinomethyl)tropolone·0.67 hydrate, C22H33N3O5·0.67H2O","Zeitschrift für Kristallographie - New Crystal Structures","2016","231","3","999","1002","10.1515/ncrs-2016-0083","","","0.71073","MoKα","","0.0573","0.0412","","","","0.1139","","","","","","1.054","","","","has coordinates","282520","2023-04-07","08:26:13",""
"8107077","10.066","0.0003","14.0604","0.0002","14.8204","0.0003","106.697","0.001","100.308","0.001","102.378","0.001","1896.46","0.08","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C49 H34 N3 O8 -","- C49 H34 N3 O8 -","- C98 H68 N6 O16 -","2","1","","Xin-Hong, Chang; Shi-Hui, Li; De-Guang, Du","Crystal structure of biphenyl-2,3′,5,5′-tetracarboxylic acid – 4,4′-biphenyl-4,4′-diyldipyridine (3/2), C49H34N3O8","Zeitschrift für Kristallographie - New Crystal Structures","2016","231","3","1003","1006","10.1515/ncrs-2016-0088","","","0.71073","MoKα","","0.0779","0.0541","","","0.1132","0.1258","","","","","","0.993","","","","has coordinates","282521","2023-04-07","08:29:45",""
"8107078","10.4372","0.0005","11.4647","0.0005","17.0628","0.001","90","","122.508","0.004","90","","1721.82","0.17","293","2","293","2","","","","","","","","6","P 1 2/c 1","-P 2yc","13","","","","- C32 H44 F2 N6 Ni O11 -","- C32 H44 F2 N6 Ni O11 -","- C64 H88 F4 N12 Ni2 O22 -","2","0.5","","An, Zhe; Zhu, Ling; Zhao, Xin-Hua","Crystal structure of the catena-poly-[bis(μ2-1-ethyl-6-fluoro-4-oxo-7-(piperazin-1-yl-κN)-1,4-dihydroquinoline-3-carboxylato-κ2 O,O′)nickel(II)] 5.5 hydrate, C32H44N6NiO11F2","Zeitschrift für Kristallographie - New Crystal Structures","2016","231","4","1007","1008","10.1515/ncrs-2015-0132","","","0.71073","MoKα","","0.0834","0.0509","","","0.1227","0.138","","","","","","0.991","","","","has coordinates","282720","2023-04-19","07:33:25",""
"8107079","12.5272","0.0004","28.7754","0.001","7.7485","0.0003","90","","96.627","0.001","90","","2774.48","0.17","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C28 H20 Cd Cl4 N2 O4 -","- C28 H20 Cd Cl4 N2 O4 -","- C112 H80 Cd4 Cl16 N8 O16 -","4","1","","Li, Shi-Hui; Zhao, Yan; Zhang, Li","Crystal structure of catena-poly-[(μ2-2-(2-((2,6-dimethylphenyl)amino)phenyl)acetato-κ2 O:O′)(μ2-2-(2-((2,6-dimethylphenyl)amino)phenyl)acetate-κ3 O,O′:O′)cadmium(II)], C28H20N2Cl4O4Cd","Zeitschrift für Kristallographie - New Crystal Structures","2016","231","4","1009","1011","10.1515/ncrs-2015-0298","","","0.71073","MoKα","","0.0517","0.0341","","","0.0725","0.0787","","","","","","1.037","","","","has coordinates","282721","2023-04-19","07:39:20",""
"8107080","8.036","0.004","7.113","0.003","13.556","0.006","90","","104.725","0.005","90","","749.4","0.6","296","2","296","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C13 H11 Cd Cl2 N O5 -","- C13 H11 Cd Cl2 N O5 -","- C26 H22 Cd2 Cl4 N2 O10 -","2","1","","Li, Shi-Hui; Zheng, Min","Crystal structure of catena-poly[dichlorido-(μ2-4-(pyridin-4-yl)-isophthalate-κ2 O, O′)cadmium(II)] monohydrate, C13H11NO5Cl2Cd","Zeitschrift für Kristallographie - New Crystal Structures","2016","231","4","1013","1014","10.1515/ncrs-2015-0300","","","0.71073","MoKα","","0.0237","0.022","","","0.0562","0.0575","","","","","","1.081","","","","has coordinates","282722","2023-04-19","07:56:44",""
"8107081","8.9924","0.0005","17.1818","0.001","12.1009","0.0007","90","","90","","90","","1869.66","0.19","293","2","293","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C18 H22 N4 Ni O4 -","- C18 H22 N4 Ni O4 -","- C72 H88 N16 Ni4 O16 -","4","1","","Li, Wei; Sun, Xuan; Suo, Jian; Xing, Yanpeng; Wang, Daguang","Crystal structure of poly-{[μ2-(E)-1,4-di(1H-imidazol-1-yl)but-2-ene-κ2 N:N′][μ2-cyclohexane-1,4-dicarboxylato-κ4 O,O′:O′′,O′′′]nickel(II)}, C18H22N4NiO4","Zeitschrift für Kristallographie - New Crystal Structures","2016","231","4","1015","1016","10.1515/ncrs-2016-0023","","","0.71073","MoKα","","0.04","0.0328","","","0.0767","0.0798","","","","","","1.046","","","","has coordinates","282723","2023-04-19","08:13:39",""
"8107082","9.5953","0.0008","22.1448","0.0017","16.3937","0.0013","90","","90.528","0.001","90","","3483.3","0.5","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C40 H27 Cd N4 O9.5 -","- C40 H27 Cd N4 O9.5 -","- C160 H108 Cd4 N16 O38 -","4","1","","Yao, Li-Ping; Zhao, Yan; Zhang, Rui","Crystal structure of aqua (5,5′-dicarboxy-(1,1′-biphenyl)-2,3′-dicarboxylato-κO) bis(1,10-phenanthroline-κ2 N,N′)cadmium monohydrate, C40H28CdN4O10","Zeitschrift für Kristallographie - New Crystal Structures","2016","231","4","1017","1019","10.1515/ncrs-2016-0030","","","0.71073","MoKα","","0.0924","0.0568","","","0.1179","0.1343","","","","","","1.27","","","","has coordinates","282724","2023-04-19","08:17:18",""
"8107083","6.0486","0.0002","17.4704","0.0007","11.9215","0.0004","90","","96.327","0.001","90","","1252.09","0.08","100","2","100","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C27 H24 Cl F N4 O4 S -","- C27 H24 Cl F N4 O4 S -","- C54 H48 Cl2 F2 N8 O8 S2 -","2","1","","Haress, Nadia G.; Ghabbour, Hazem A.; Almutairi, Maha S.; Fun, Hoong-Kun; Attia, Mohamed I.","Crystal structure of 5-methoxy-N′-[(3Z)-5-chloro-1-(4-fluorobenzyl)-2-oxo-1,2-dihydro-3H-indol-3-ylidene]-1H-indole-2-carbohydrazide-DMSO (1/1), C25H18ClFN4O3 · C2H6OS","Zeitschrift für Kristallographie - New Crystal Structures","2016","231","4","1021","1023","10.1515/ncrs-2016-0032","","","0.71073","MoKα","","0.0758","0.0476","","","0.0918","0.1004","","","","","","0.999","","","","has coordinates","282725","2023-04-19","08:36:49",""
"8107084","10.1996","0.0005","11.4836","0.0006","12.1907","0.0008","100.728","0.002","100.807","0.002","114.612","0.002","1218.03","0.12","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C27 H25 F N4 O4 S -","- C27 H25 F N4 O4 S -","- C54 H50 F2 N8 O8 S2 -","2","1","","Almutairi, Maha S.; Ghabbour, Hazem A.; Haress, Nadia G.; Attia, Mohamed I.","Crystal structure of 5-methoxy-N′-[(3Z)-1-benzyl-5-fluoro-2-oxo-1,2-dihydro-3H-indol-3-ylidene]-1H-indole-2-carbohydrazide-DMSO (1/1), C27H25FN4O4S","Zeitschrift für Kristallographie - New Crystal Structures","2016","231","4","1025","1027","10.1515/ncrs-2016-0033","","","0.71073","MoKα","","0.1026","0.0542","","","0.1138","0.1319","","","","","","0.953","","","","has coordinates","282726","2023-04-19","08:39:37",""
"8107085","9.708","0.005","10.954","0.005","15.014","0.005","97.858","0.005","98.584","0.005","104.798","0.005","1500.6","1.1","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C36 H25 Cd N5 O4 -","- C36 H25 Cd N5 O4 -","- C72 H50 Cd2 N10 O8 -","2","1","","Bai, Helong; Zhang, Ping","Crystal structure of poly-[bis{μ2-N-(4-(1H-imidazol-1-yl)phenyl)-4-(1H-imidazol-1-yl)-N-phenylaniline-κ2 N:N′)}-(μ2-naphthalene-2,6-dicarboxylato)-(μ4-naphthalene-2,6-dicarboxylato)dicadmium(II)], C36H25N5O4Cd","Zeitschrift für Kristallographie - New Crystal Structures","2016","231","4","1029","1031","10.1515/ncrs-2016-0034","","","0.71069","MoKα","","0.0405","0.0297","","","0.0711","0.0904","","","","","","1.126","","","","has coordinates","282727","2023-04-19","08:47:06",""
"8107086","17.0675","0.0007","8.3422","0.0003","22.597","0.0008","90","","90","","90","","3217.4","0.2","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C17 H21 Br N2 S -","- C17 H21 Br N2 S -","- C136 H168 Br8 N16 S8 -","8","1","","Al-Omary, Fatmah A. M.; Al-Rasheed, Lamees S.; Ghabbour, Hazem A.; El-Emam, Ali A.","Crystal structure of 1-(adamantan-1-yl)-3-(4-bromophenyl)thiourea, C17H21BrN2S","Zeitschrift für Kristallographie - New Crystal Structures","2016","231","4","1033","1035","10.1515/ncrs-2016-0037","","","0.71073","MoKα","","0.0647","0.0329","","","0.0637","0.0724","","","","","","1.026","","","","has coordinates","282730","2023-04-19","09:01:35",""
"8107087","8.1023","0.0002","18.7063","0.0004","22.5509","0.0006","90","","90","","90","","3417.91","0.14","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C18 H20 Cl2 N2 O -","- C18 H20 Cl2 N2 O -","- C144 H160 Cl16 N16 O8 -","8","1","","Aljohar, Haya I.; Ghabbour, Hazem A.; Abdelbaky, Mohammed S.M.; Garcia-Granda, Santiago; El-Emam, Ali A.","Crystal structure of N′-[(1E)-(2,6-dichlorophenyl)-methylidene]adamantane-1-carbohydrazide, C18H20Cl2N2O","Zeitschrift für Kristallographie - New Crystal Structures","2016","231","4","1037","1039","10.1515/ncrs-2016-0038","","","1.5418","CuKα","","0.0558","0.0496","","","0.147","0.1535","","","","","","1.056","","","","has coordinates","282731","2023-04-19","09:07:48",""
"8107088","20.717","0.0016","14.4553","0.0011","11.2717","0.0008","90","","90.072","0.002","90","","3375.5","0.4","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C39 H31 Cl2 N3 O6 Zn -","- C39 H31 Cl2 N3 O6 Zn -","- C156 H124 Cl8 N12 O24 Zn4 -","4","0.5","","Li, Yaping; Sun, Dajun; Ming, Julia; Su, Guanfang","Crystal structure of dichlorido{bis(2-hydroxyethyl)-5′-([2,2′:6′,2′′-terpyridin]-4′-yl)-[1,1′:3′,1′′-terphenyl]-4,4′′-dicarboxylate-κ3 N,N′,N′′}zinc(II), C39H31Cl2N3O6Zn","Zeitschrift für Kristallographie - New Crystal Structures","2016","231","4","1041","1042","10.1515/ncrs-2016-0041","","","0.71073","MoKα","","0.0674","0.0489","","","0.1339","0.1469","","","","","","1.042","","","","has coordinates","282732","2023-04-19","09:12:23",""
"8107089","7.7679","0.0019","11","0.003","13.37","0.003","75.682","0.005","81.286","0.005","69.905","0.005","1036.8","0.4","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C26 H18 N2 O8 -","- C26 H18 N2 O8 -","- C52 H36 N4 O16 -","2","1","","Li, Yaping; Sun, Dajun; Ming, Julia; Su, Guanfang","Crystal structure of 4,4′-(1,3,5,7-tetraoxo-3a,4,4a,5,7,7a,8,8a-octahydro-4,8-ethenopyrrolo [3,4-f]isoindole-2,6(1H,3H)-diyl)dibenzoic acid, C26H18N2O8","Zeitschrift für Kristallographie - New Crystal Structures","2016","231","4","1043","1044","10.1515/ncrs-2016-0042","","","0.71073","MoKα","","0.1245","0.0643","","","0.1325","0.168","","","","","","0.957","","","","has coordinates","282733","2023-04-19","09:15:08",""
"8107090","9.1238","0.0004","13.0575","0.0004","14.374","0.0005","90","","104.616","0.004","90","","1657.02","0.11","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C17 H16 Cl2 N2 O2 -","- C17 H16 Cl2 N2 O2 -","- C68 H64 Cl8 N8 O8 -","4","1","","Zhao, Li; Wang, Fei; An, Qin-Qin; Zhao, Ji-Xing","Crystal structure of (E)-1-(4-(((E)-3,5-dichloro-2-hydroxybenzylidene)amino)phenyl)ethan-1-one O-ethyl oxime, C17H16Cl2N2O2","Zeitschrift für Kristallographie - New Crystal Structures","2016","231","4","1045","1046","10.1515/ncrs-2016-0044","","","0.71073","MoKα","","0.074","0.046","","","0.0958","0.112","","","","","","1.058","","","","has coordinates","282736","2023-04-19","09:18:57",""
"8107091","6.774","0.0014","12.309","0.003","32.776","0.007","90","","90","","90","","2732.9","1.1","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C11 H13 Cr N2 O9 -","- C11 H13 Cr N2 O9 -","- C88 H104 Cr8 N16 O72 -","8","1","","Xie, Ling; Feng, Sisi; Lu, Liping; Zhu, Miaoli","The crystal structure of diaqua-(N-(2-hydroxy-5-nitrobenzyl)iminodiacetato-κ4-N,O,O′,O′′)chromium(III) based on synchrotron data, C11H13CrN2O9","Zeitschrift für Kristallographie - New Crystal Structures","2016","231","4","1047","1049","10.1515/ncrs-2016-0045","","","0.72","Synchrotron","","0.0337","0.0302","","","0.0843","0.0867","","","","","","1.048","","","","has coordinates","282737","2023-04-19","09:21:22",""
"8107092","24.7576","0.0012","5.0596","0.0002","16.9165","0.0008","90","","101.63","0.002","90","","2075.52","0.16","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C21 H19 N5 O3 S2 -","- C21 H19 N5 O3 S2 -","- C84 H76 N20 O12 S8 -","4","1","","El-Hiti, Gamal A.; Abdel-Wahab, Bakr F.; Baashen, Mohammed; Ghabbour, Hazem A.","Crystal structure of ethyl 5-amino-3-(methylthio)-1-(1-phenyl-5-(thiophen-2-yl)-1H-pyrazole-3-carbonyl)-1H-pyrazole-4-carboxylate, C21H19N5O3S2","Zeitschrift für Kristallographie - New Crystal Structures","2016","231","4","1051","1052","10.1515/ncrs-2016-0046","","","0.71073","MoKα","","0.0674","0.0427","","","0.0945","0.104","","","","","","1.114","","","","has coordinates","282738","2023-04-19","09:24:04",""
"8107093","9.2648","0.0014","13.3034","0.0016","14.51","0.002","90","","105.261","0.015","90","","1725.3","0.4","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C17 H16 Br2 N2 O2 -","- C17 H16 Br2 N2 O2 -","- C68 H64 Br8 N8 O8 -","4","1","","Zhao, Li; Zhao, Ji-Xing; An, Qin-Qin; Wang, Fei","Crystal structure of (E)-1-(4-(((E)-3,5-dibromo-2-hydroxybenzylidene)amino)phenyl)ethan-1-one O-methyl oxime, C17H16Br2N2O2","Zeitschrift für Kristallographie - New Crystal Structures","2016","231","4","1053","1054","10.1515/ncrs-2016-0047","","","1.54184","CuKα","","0.0788","0.0679","","","0.1564","0.1657","","","","","","1.605","","","","has coordinates","282739","2023-04-19","09:26:50",""
"8107094","10.8433","0.0005","11.8395","0.0005","18.7871","0.0008","90","","90","","90","","2411.87","0.18","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","μ-oxalato-κ^2^O,O:κ^2^O',O'-bis[(bromido)(η^6^-<i>p</i>-cymene)-osmium(II)]","","- C22 H28 Br2 O4 Os2 -","- C22 H28 Br2 O4 Os2 -","- C88 H112 Br8 O16 Os8 -","4","0.5","","Clayton, Hadley S.; Tapala, Kgaugelo C.; Lemmerer, Andreas","Crystal structure of dibromido μ-oxalato-κ2 O,O′:κ2 O′′,O′′′−η6-p-cymenediosmium(II), C22H28Br2O4Os2","Zeitschrift für Kristallographie - New Crystal Structures","2016","231","4","1055","1056","10.1515/ncrs-2016-0048","","","0.71073","MoKα","","0.0555","0.0511","","","0.1041","0.1061","","","","","","1.381","","","","has coordinates","282762","2023-04-20","08:15:44",""
"8107095","21.324","0.006","5.8597","0.0016","14.966","0.004","90","","95.558","0.005","90","","1861.2","0.9","296","2","296","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C18 H19 Br Cl N O2 S -","- C18 H19 Br Cl N O2 S -","- C72 H76 Br4 Cl4 N4 O8 S4 -","4","1","","Zhang, Jingfang; Liu, Yulong; Borjihan, Gereltu; He, Wei","Crystal structure of 2-(bromomethyl)-4-(4-chlorophenyl)-1-tosylpyrrolidine, C18H19BrClNO2S2","Zeitschrift für Kristallographie - New Crystal Structures","2016","231","4","1057","1058","10.1515/ncrs-2016-0049","","","0.71073","MoKα","","0.089","0.0454","","","0.0961","0.1258","","","","","","1.026","","","","has coordinates","282763","2023-04-20","08:19:07",""
"8107096","5.7471","0.0004","7.8734","0.0006","13.3112","0.0011","75.546","0.003","78.183","0.003","77.54","0.003","562.22","0.07","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C13 H11 F N2 O3 -","- C13 H11 F N2 O3 -","- C26 H22 F2 N4 O6 -","2","1","","Barakat, Assem; Ghabbour, Hazem A.; Al-Qahtani, Bandar M.; Ali, M.; Mohammed Al-Majid, Abdullah","Crystal structure of 5-(3-fluorobenzylidene)-1,3-dimethylpyrimidine-2,4,6(1H,3H,5H)-trione; C13H11FN2O3","Zeitschrift für Kristallographie - New Crystal Structures","2016","231","4","1059","1061","10.1515/ncrs-2016-0050","","","0.71073","MoKα","","0.0619","0.0444","","","0.1139","0.1234","","","","","","1.044","","","","has coordinates,has disorder","282764","2023-04-20","08:22:07",""
"8107097","4.4714","0.0002","17.869","0.0007","14.6323","0.0006","90","","95.272","0.001","90","","1164.17","0.08","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C10 H19 N3 O3 -","- C10 H19 N3 O3 -","- C40 H76 N12 O12 -","4","1","","Barakat, Assem; Ghabbour, Hazem A.; Al-Majid, Abdullah Mohammed; Islam, Mohammad Shahidul; Shaik, Mohammed Rafi","Crystal structure of diethylammonium 1,3-dimethyl-2,4,6-trioxohexahydropyrimidin-5-ide, C10H19N3O3","Zeitschrift für Kristallographie - New Crystal Structures","2016","231","4","1063","1064","10.1515/ncrs-2016-0051","","","0.71073","MoKα","","0.0853","0.0518","","","0.1211","0.137","","","","","","0.921","","","","has coordinates","282765","2023-04-20","08:25:32",""
"8107098","10.7388","0.0006","9.8449","0.0005","21.1259","0.0014","90","","90","","90","","2233.5","0.2","296","2","296","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C11 H16 N2 O -","- C11 H16 N2 O -","- C88 H128 N16 O8 -","8","1","","El-Hiti, Gamal A.; Smith, Keith; Alshammari, Mohammed B.; Alotaibi, Mohammad Hayal; Kariuki, Benson M.","Crystal structure of 1,1-dimethyl-3-(2-phenylethyl)urea, C11H16N2O","Zeitschrift für Kristallographie - New Crystal Structures","2016","231","4","1065","1066","10.1515/ncrs-2016-0052","","","0.71073","MoKα","","0.09","0.0582","","","0.1533","0.1795","","","","","","1.036","","","","has coordinates","282766","2023-04-20","08:28:17",""
"8107099","14.182","0.003","5.9674","0.0006","26.683","0.004","90","","101.162","0.017","90","","2215.5","0.6","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C13 H10 N2 O S -","- C13 H10 N2 O S -","- C104 H80 N16 O8 S8 -","8","2","","El-Hiti, Gamal A.; Smith, Keith; Hegazy, Amany S.; Alanazi, Saud A.; Kariuki, Benson M.","Crystal structure of 2-(4-methoxyphenyl)-1,3-thiazolo[4,5-b]pyridine, C13H10N2OS","Zeitschrift für Kristallographie - New Crystal Structures","2016","231","4","1067","1068","10.1515/ncrs-2016-0053","","","0.71073","MoKα","","0.1173","0.0634","","","0.133","0.1514","","","","","","0.928","","","","has coordinates","282767","2023-04-20","08:36:07",""
"8107100","7.3227","0.0003","10.9955","0.0004","26.3709","0.0009","90","","90","","90","","2123.3","0.14","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C11 H14 N2 O2 -","- C11 H14 N2 O2 -","- C88 H112 N16 O16 -","8","2","","El-Hiti, Gamal A.; Smith, Keith; Hegazy, Amany S.; Masmali, Ali M.; Kariuki, Benson M.","Crystal structure of 3-tert-butyl-7-azadioxindole, C11H14N2O2","Zeitschrift für Kristallographie - New Crystal Structures","2016","231","4","1069","1070","10.1515/ncrs-2016-0054","","","1.54184","CuKα","","0.0452","0.0372","","","0.0851","0.0907","","","","","","1.056","","","","has coordinates","282768","2023-04-20","09:03:36",""
"8107101","30.486","0.01","7.497","0.003","18.669","0.006","90","","120.184","0.005","90","","3688","2","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C26 H17 Br Fe -","- C26 H17 Br Fe -","- C208 H136 Br8 Fe8 -","8","1","","Ran, Zhang; Zhong-Hai, Ni","Crystal structure of 1-ferrocenyl-6-bromopyrene, C26H17BrFe","Zeitschrift für Kristallographie - New Crystal Structures","2016","231","4","1071","1072","10.1515/ncrs-2016-0055","","","0.71073","MoKα","","0.0743","0.0407","","","0.0892","0.1015","","","","","","1.004","","","","has coordinates","282769","2023-04-20","09:07:54",""
"8107102","14.6734","0.0006","11.1226","0.0005","9.4184","0.0004","90","","102.524","0.002","90","","1500.57","0.11","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C16 H13 Br F N3 S -","- C16 H13 Br F N3 S -","- C64 H52 Br4 F4 N12 S4 -","4","1","","Ghabbour, Hazem A.; Abdel-Wahab, Bakr F.; Baashen, Mohammed; Mohammad Asmari, Majid; El-Hiti, Gamal A.","Crystal structure of 3-(4-bromophenyl)-5-(4-fluorophenyl)-4,5-dihydro-1H-pyrazole-1-carbothioamide, C16H13BrFN3S","Zeitschrift für Kristallographie - New Crystal Structures","2016","231","4","1073","1074","10.1515/ncrs-2016-0057","","","0.71073","MoKα","","0.0795","0.0473","","","0.1028","0.1182","","","","","","1.033","","","","has coordinates","282770","2023-04-20","09:10:44",""
"8107103","8.6192","0.0006","10.0012","0.0011","12.8047","0.0008","110.699","0.008","95.859","0.006","99.141","0.007","1004.36","0.16","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C2.35 H1.88 F0.71 N0.24 O0.24 -","- C2.35294 H1.88235 F0.705882 N0.235294 O0.235294 -","- C40 H32 F12 N4 O4 -","17","8.5","","Liu, Zhi-Jun; li, Yan; Lu, Shi-Qing; Xu, Yan-Li","Crystal structure of 2-amino-4-(3,5-ditrifluoromethylphenyl)-3-cyano-7,7-dimethyl-5-oxo-4H-5,6,7,8-tetrahydrobenzo[b]pyran, C20H16F6N2O2","Zeitschrift für Kristallographie - New Crystal Structures","2016","231","4","1075","1076","10.1515/ncrs-2016-0060","","","0.71073","MoKα","","0.1245","0.0777","","","0.1489","0.1918","","","","","","0.585","","","","has coordinates","282771","2023-04-20","09:14:10",""
"8107104","13.8536","0.0012","11.0922","0.0007","20.432","0.002","90","","108.491","0.01","90","","2977.6","0.5","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C16 H13 N3 O4 -","- C16 H13 N3 O4 -","- C128 H104 N24 O32 -","8","1","","Luo, Yunchun; Yi, Wen; Yao, Yuzhou; Zhu, Ni; Qin, Pengfei","The crystal structure of 2-amino-4-(4-nitrophenyl)-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile, C16H13N3O4","Zeitschrift für Kristallographie - New Crystal Structures","2016","231","4","1077","1078","10.1515/ncrs-2016-0063","","","0.71073","MoKα","","0.093","0.0533","","","0.1278","0.1452","","","","","","1.028","","","","has coordinates","282772","2023-04-20","09:22:31",""
"8107105","24.944","0.003","8.9007","0.0008","16.377","0.0018","90","","119.71","0.01","90","","3158","0.7","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C16 H12 Cl2 N2 O2 -","- C16 H12 Cl2 N2 O2 -","- C128 H96 Cl16 N16 O16 -","8","1","","He, Lian-Man; Gao, Chuan-Yu","Crystal structure of 2-amino-4-(2, 4-dichlorophenyl)-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile, C16H12Cl2N2O2","Zeitschrift für Kristallographie - New Crystal Structures","2016","231","4","1079","1080","10.1515/ncrs-2016-0065","","","0.71073","MoKα","","0.0822","0.0527","","","0.1339","0.1602","","","","","","1.055","","","","has coordinates","282773","2023-04-20","09:25:53",""
"8107106","12.736","0.002","18.187","0.002","12.335","0.002","90","","109.053","0.004","90","","2700.6","0.7","101","2","101","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C56 H58 Cl2 O4 P4 Pd2 -","- C56 H58 Cl2 O4 P4 Pd2 -","- C112 H116 Cl4 O8 P8 Pd4 -","2","0.5","","Kama, Dumisani V.; Brink, Alice; Visser, Hendrik G.","Crystal structure of bis(μ 2-chlorido)-bis(di-p-tolylhydroxyphosphine-κP)-bis(di-p-tolylphosphite-κP)dipalladium(II), C56H58Cl2O4P4Pd2","Zeitschrift für Kristallographie - New Crystal Structures","2016","231","4","1081","1083","10.1515/ncrs-2016-0067","","","0.71069","MoKα","","0.0396","0.034","","","","0.0955","","","","","","1.039","","","","has coordinates","282774","2023-04-20","09:29:34",""
"8107107","7.188","0.002","8.895","0.003","9.771","0.003","63.148","0.003","76.75","0.003","66.225","0.003","509.2","0.3","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C12 H22 Cd N4 O14 -","- C12 H22 Cd N4 O14 -","- C12 H22 Cd N4 O14 -","1","0.5","","Xiong, Zhi-Qiang; Song, Xiu-Ying; Nie, Xu-Liang","Crystal structure of diaqua-bis(2-methyl-1H-imidazole-4,5-dicarboxylato-κ2-O,N)cadmium(II) tetrahydrate, C12H22CdN4O14","Zeitschrift für Kristallographie - New Crystal Structures","2016","231","4","1085","1086","10.1515/ncrs-2016-0068","","","0.71073","MoKα","","0.0255","0.0253","","","0.0674","0.0676","","","","","","1.083","","","","has coordinates","282775","2023-04-20","09:32:34",""
"8107108","7.208","0.003","21.72","0.008","11.098","0.005","90","","99.085","0.017","90","","1715.7","1.2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H13 Cu N3 O6 -","- C19 H13 Cu N3 O6 -","- C76 H52 Cu4 N12 O24 -","4","1","","Tang, Zhiwei; Xie, Guixiang; Dong, Yan; Wen, Decai","Crystal structure of aqua-(5-nitrosalicylato-κ2 O,O′)-(1,10-phenanthroline-κ2 N,N′)copper(II), C19H13CuN3O6","Zeitschrift für Kristallographie - New Crystal Structures","2016","231","4","1087","1088","10.1515/ncrs-2016-0069","","","0.71073","MoKα","","0.0812","0.0428","","","0.0934","0.1044","","","","","","0.915","","","","has coordinates","282776","2023-04-20","09:35:17",""
"8107109","8.9828","0.0011","10.1648","0.0012","13.2961","0.0015","81.273","0.002","72.201","0.002","82.271","0.002","1137.5","0.2","140","2","140","2","","","","","","","","3","P -1","-P 1","2","","Bis(4–(2–phenylpentan–2–yl)phenyl)Amine","","- C30 H31 N -","- C30 H31 N -","- C60 H62 N2 -","2","1","","Wang, Limin; Wang, Shengpei; Liu, Shenggao","Crystal structure of bis(4-(2-phenylpropan-2-yl)phenyl)amine, C30H31N","Zeitschrift für Kristallographie - New Crystal Structures","2016","231","4","1089","1090","10.1515/ncrs-2016-0070","","","0.71073","MoKα","","0.0994","0.0581","","","0.1323","0.1545","","","","","","1.037","","","","has coordinates","282804","2023-04-24","08:04:02",""
"8107110","11.619","0.003","9.481","0.002","14.555","0.003","90","","98.799","0.004","90","","1584.5","0.6","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H16 F2 N2 O2 -","- C18 H16 F2 N2 O2 -","- C72 H64 F8 N8 O8 -","4","1","","Lou, He","Crystal structure of 2-amino-4-(3,5-difluorophenyl)-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile, C18H16F2N2O2","Zeitschrift für Kristallographie - New Crystal Structures","2016","231","4","1091","1092","10.1515/ncrs-2016-0072","","","0.71073","MoKα","","0.0435","0.0404","","","0.1107","0.1139","","","","","","1.019","","","","has coordinates","282819","2023-04-25","07:56:55",""
"8107111","8.3288","0.0005","8.6385","0.0008","11.6004","0.0008","111.488","0.007","94.705","0.006","99.107","0.006","757.87","0.11","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H11 F3 N2 O2 -","- C16 H11 F3 N2 O2 -","- C32 H22 F6 N4 O4 -","2","1","","Zhang, Xi-Ping; Yu, Fei-Jiang; He, Xiang-Ming; Zou, De-Hong","Crystal structure of 2-amino-4-(3,4,5-trifluorophenyl)-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile, C16H11F3N2O2","Zeitschrift für Kristallographie - New Crystal Structures","2016","231","4","1093","1094","10.1515/ncrs-2016-0073","","","0.71073","MoKα","","0.0611","0.0435","","","0.0789","0.0954","","","","","","0.568","","","","has coordinates","282820","2023-04-25","08:01:57",""
"8107112","8.807","0.0003","11.9544","0.0005","12.3447","0.0005","66.7623","0.0013","89.0505","0.0013","80.9952","0.0013","1178.06","0.08","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C60 H66 N2 Ti2 -","- C60 H66 N2 Ti2 -","- C60 H66 N2 Ti2 -","1","0.5","","Oswald, Tim; Frey, Annika; Schmidtmann, Marc; Beckhaus, Rüdiger","Crystal structure of an isomeric bis[(η 5:η 1-6,6-di-p-tolylpentafulvene)(η 5-pentamethylcyclopentadienyl)titanium(III)]-μ 2,η 1:η 1-dinitrogen complex, C60H66N2Ti2","Zeitschrift für Kristallographie - New Crystal Structures","2016","231","4","1095","1097","10.1515/ncrs-2016-0074","","","0.71073","MoKα","","0.0614","0.0426","","","0.1046","0.1145","","","","","","1.025","","","","has coordinates","282821","2023-04-25","08:07:06",""
"8107113","9.7013","0.0013","12.0797","0.001","9.7587","0.0007","90","","93.962","0.011","90","","1140.9","0.2","105.3","","105.3","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","3,4-dinitropyrazole","3,4-dinitro-1H-pyrazole","","- C3 H2 N4 O4 -","- C3 H2 N4 O4 -","- C24 H16 N32 O32 -","8","2","","Lizhen, Chen; Liang, Song; Duanlin, Cao; Jianlong, Wang","Crystal structure of 3,4-dinitropyrazole, C3H2N4O4","Zeitschrift für Kristallographie - New Crystal Structures","2016","231","4","1099","1100","10.1515/ncrs-2016-0075","","","0.7107","MoKα","","0.0535","0.0408","","","0.0928","0.1001","","","","","","1.076","","","","has coordinates","282822","2023-04-25","08:10:24",""
"8107114","17.8179","0.0008","15.6453","0.0006","17.4603","0.0007","90","","116.588","0.002","90","","4352.6","0.3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C25 H22 Cl N Sn -","- C25 H22 Cl N Sn -","- C200 H176 Cl8 N8 Sn8 -","8","2","","Reuter, Hans; Gieschen, Tobias","Crystal structure of (4-vinylpyridine-κN)triphenyl tin(IV) chloride, C25H22ClNSn","Zeitschrift für Kristallographie - New Crystal Structures","2016","231","4","1101","1104","10.1515/ncrs-2016-0076","","","0.71073","MoKα","","0.0381","0.0297","","","0.0637","0.0681","","","","","","1.077","","","","has coordinates","282823","2023-04-25","08:59:22",""
"8107115","6.9042","0.0005","7.199","0.0005","18.2633","0.0013","86.727","0.006","79.214","0.006","69.876","0.007","837.24","0.11","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C19 H17 Cl N4 -","- C19 H17 Cl N4 -","- C38 H34 Cl2 N8 -","2","1","","El-Hiti, Gamal A.; Abdel-Wahab, Bakr F.; Baashen, Mohammed; Hegazy, Amany S.; Kariuki, Benson M.","Crystal structure of (Z)-4-((E)-(4-chlorobenzyli-dene)hydrazono)-1-p-tolylpyrrolidine-3-carbonitrile, C19H17ClN4","Zeitschrift für Kristallographie - New Crystal Structures","2016","231","4","1109","1110","10.1515/ncrs-2016-0079","","","0.71073","MoKα","","0.1062","0.0553","","","0.1155","0.1406","","","","","","1.024","","","","has coordinates","282936","2023-05-02","07:58:05",""
"8107116","10.026","0.004","12.064","0.004","13.385","0.005","112.473","0.003","105.835","0.004","91.309","0.004","1424.5","0.9","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C62 H57 F2 N6 O16.5 Zn2 -","- C62 H57 F2 N6 O16.5 Zn2 -","- C62 H57 F2 N6 O16.5 Zn2 -","1","0.5","","Hu, Yong-Jun; Zhu, Ling; An, Zhe; Zhou, Tian","Crystal structure of bis(biphenyl-2,2′-dicarboxylato-κ2 O:O′)-bis(1-cyclopropyl-6-fluoro-4-oxo-7-(1-piperazinyl)-1,4-dihydroquinoline-3-carboxylato-κ2 O,O′)dizinc(II)2.5 hydrate, C62H57N6Zn2O16.5F2","Zeitschrift für Kristallographie - New Crystal Structures","2016","231","4","1111","1113","10.1515/ncrs-2016-0080","","","0.71073","MoKα","","0.029","0.0266","","","0.0694","0.0707","","","","","","1.089","","","","has coordinates","282937","2023-05-02","08:08:07",""
"8107117","7.3325","0.001","9.1317","0.0014","13.161","0.002","105.927","0.004","95.407","0.004","96.752","0.004","834.1","0.2","296","2","296.15","","","","","","","","","6","P -1","-P 1","2","","","","- C32 H24 Cl6 Fe2 N4 O4 -","- C32 H24 Cl6 Fe2 N4 O4 -","- C32 H24 Cl6 Fe2 N4 O4 -","1","0.5","","Fuentealba, Mauricio; González, Deborah; Artigas, Vania","Crystal structure of dichloridobis{μ2-2,2′-((1E,1′E)-(ethane-1,2-diylbis(azanylylidene))bis(methanylylidene))bis(4-chlorophenolato)-κ5O,N,N′,O′:O′}diiron(III), C32H24Cl6Fe2N4O4","Zeitschrift für Kristallographie - New Crystal Structures","2016","231","4","1115","1116","10.1515/ncrs-2016-0081","","","0.71073","MoKα","","0.0692","0.0382","","","0.0784","0.0897","","","","","","1.035","","","","has coordinates","282938","2023-05-02","08:26:56",""
"8107118","6.7503","0.0002","14.0026","0.0007","21.954","0.001","90","","96.892","0.003","90","","2060.14","0.15","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H23 N3 O5 S -","- C20 H23 N3 O5 S -","- C80 H92 N12 O20 S4 -","4","1","","Ghorab, Mostafa M.; Alsaid, Mansour S.; Ghabbour, Hazem A.; Al-Mishari, Abdullah A.; AlRuqi, Obaid S.","Crystal structure of 4-((4,4-dimethyl-2, 6-dioxocyclohexylidine)methylamino)-N-(3,4-dimethylisoxazol-5-yl)benzenesulfonamide, C20H23N3O5S","Zeitschrift für Kristallographie - New Crystal Structures","2016","231","4","1117","1119","10.1515/ncrs-2016-0082","","","0.71073","MoKα","","0.1063","0.0545","","","0.1024","0.1192","","","","","","1.024","","","","has coordinates","282939","2023-05-02","08:31:01",""
"8107119","30.715","0.003","7.8833","0.0008","5.8202","0.0006","90","","90","","90","","1409.3","0.2","296","2","296","2","","","","","","","","4","I m a 2","I 2 -2a","46","","","","- C14 H12 Cd O7 -","- C14 H12 Cd O7 -","- C56 H48 Cd4 O28 -","4","0.5","","Guang-Ming, Bao; Wei, Xiao; Ting-Ting, Sun; Chun-Yan, Hu; Yi-Hua, Wang; Hou-Qun, Yuan","Crystal structure of poly-[aqua-μ 2-aqua-μ 2-(4,4′-oxybis(benzoato)-κ 4 O,O′:O′′,O′′′)cadmium(II)], C14H12O7Cd","Zeitschrift für Kristallographie - New Crystal Structures","2016","231","4","1121","1122","10.1515/ncrs-2016-0084","","","0.71073","MoKα","","0.016","0.0159","","","0.0399","0.04","","","","","","1.195","","","","has coordinates","282940","2023-05-02","08:34:06",""
"8107120","9.749","0.004","12.884","0.005","13.869","0.005","70.103","0.004","80.201","0.004","68.648","0.004","1523.5","1","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C62 H60 Cd2 F2 N6 O19 -","- C62 H60 Cd2 F2 N6 O19 -","- C62 H60 Cd2 F2 N6 O19 -","1","0.5","","Zhu, Ling; Hu, Yong-Jun; An, Zhe; Zhou, Tian","Crystal structure of aqua(μ2-biphenyl-2,2′-dicarboxylato-κ3 O,O′:O′′)-(μ2-1-cyclopropyl-6-fluoro-4-oxo-7-(1-piperazinyl)-1,4-dihydroquinoline-3-carboxylato-κ2 O,O′)cadmium(II) 1.5 hydrate, C62H60N6Cd2O19F2","Zeitschrift für Kristallographie - New Crystal Structures","2016","231","4","1123","1125","10.1515/ncrs-2016-0085","","","0.71073","MoKα","","0.0629","0.0549","","","0.1567","0.1716","","","","","","1.087","","","","has coordinates","282941","2023-05-02","08:39:17",""
"8107121","9.5638","0.0009","20.2142","0.0019","12.0825","0.0011","90","","94.696","0.001","90","","2328","0.4","100","2","100.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C46 H48 Cu2 N8 O12 -","- C46 H48 Cu2 N8 O12 -","- C92 H96 Cu4 N16 O24 -","2","0.5","","Qiang Li, Guo; Hong He, Jia; Yun Hui, Cai; Xu, Qiang","Crystal structure of dimethanolo-bis[μ-(2-(2-(5-(pyridin-2-yl)-1H-1,2,4-triazol-3-yl)phenoxy)benzoato)-κ5 O,O′,N:N′,N′′]dicopper(II) — methanol (1/2), C46H48Cu2N8O12","Zeitschrift für Kristallographie - New Crystal Structures","2016","231","4","1127","1129","10.1515/ncrs-2016-0087","","","0.71073","MoKα","","0.0323","0.0273","","","0.0688","0.0711","","","","","","1.056","","","","has coordinates","282942","2023-05-02","08:41:43",""
"8107122","10.5417","0.0004","12.0923","0.0006","12.432","0.0004","82.373","0.003","81.126","0.003","89.446","0.003","1551.83","0.11","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C33 H26 Dy O13 -","- C33 H26 Dy O13 -","- C66 H52 Dy2 O26 -","2","1","","Zhu, Xiao-fei; Yang, Yu; Xie, Xiao-yan; Li, Ya-feng","Crystal structure of poly-[tetraaqua-bis(μ4-2,5-dibenzoyl-1,4-benzenedicarboxylato-κ4 O 1:O 2:O 3:O 4)-μ2-2,5-dibenzoyl-1,4-benzenedicarboxylato-k4 O 5,O 6: O 5′,O 6′-didysprosium(III)] tetrahydrate C33H26O13Dy","Zeitschrift für Kristallographie - New Crystal Structures","2016","231","4","1131","1133","10.1515/ncrs-2016-0089","","","0.71073","MoKα","","0.0417","0.0357","","","0.0785","0.082","","","","","","1.036","","","","has coordinates","282943","2023-05-02","08:56:42",""
"8107123","10.609","0.005","31.215","0.005","12.407","0.004","90","","116.54","0.03","90","","3676","2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C60 H76 N18 Nd2 O32 -","- C60 H76 N18 Nd2 O32 -","- C120 H152 N36 Nd4 O64 -","2","0.5","","Zhang, Fang; Huang, Fang; Zhang, Zhaoqun; Lu, Yanhua; Chen, Qifan; Liu, Fei","Crystal structure of hexaaqua-bis(3-(3-pyridin-4-yl-[1,2,4]oxadiazol-5-yl) propionato-κ3O,O′:O′)-bis(3-(3-pyridin-4-yl-[1,2,4]oxadiazol-5-yl)propionato-κO)-bis(3-(3-pyridin-4-yl-[1,2,4]oxadiazol-5-yl)propionato-κ2O,O′)dineodymium(III) octahydrate, C60H76N18O32Nd2","Zeitschrift für Kristallographie - New Crystal Structures","2016","231","4","1135","1137","10.1515/ncrs-2016-0091","","","0.71069","MoKα","","0.0509","0.045","","","0.0884","0.091","","","","","","1.287","","","","has coordinates","282982","2023-05-04","07:38:26",""
"8107124","6.2167","0.0003","9.7769","0.0005","29.6562","0.0015","90","","93.292","0.001","90","","1799.53","0.16","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C15 H7 F8 O9 Pr -","- C15 H7 F8 O9 Pr -","- C60 H28 F32 O36 Pr4 -","4","1","","Feng, Xun; Li, Rong Fang; Wang, Yang; Tian, Pan Hao","Crystal structure of poly-[triaqua-(μ3-3,4,5,6-tetrafluoro-1,2-phthalato-κ4 O:O′:O′′,O′′′) (2,3,4,5-tetrafluoro-benzoato-κ2 O,O′) praseodymium(III)], C15H7F8O9Pr","Zeitschrift für Kristallographie - New Crystal Structures","2016","231","4","1139","1141","10.1515/ncrs-2016-0092","","","0.71073","MoKα","","0.0336","0.0317","","","0.0721","0.0729","","","","","","1.072","","","","has coordinates","282983","2023-05-04","07:40:56",""
"8107125","10.3988","0.0008","12.1983","0.001","12.9114","0.001","85.034","0.001","89.123","0.001","79.519","0.001","1604.4","0.2","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C34 H39 Cl2 N3 O2 Pd -","- C34 H39 Cl2 N3 O2 Pd -","- C68 H78 Cl4 N6 O4 Pd2 -","2","1","","Liu, Feng; Li, Guo-Xing","The crystal structure of dichlorido (1,3-dimesityl-1H-3λ4-imidazol-2-yl)(isoquinoline-κN)palladium(IV) – ethylacetate (1/1), C34H39Cl2N3O2Pd","Zeitschrift für Kristallographie - New Crystal Structures","2016","231","4","1143","1144","10.1515/ncrs-2016-0093","","","0.71073","MoKα","","0.0483","0.0472","","","0.1276","0.1285","","","","","","1.073","","","","has coordinates","282984","2023-05-04","07:55:06",""
"8107126","24.7394","0.0017","15.9451","0.0011","27.4301","0.0019","90","","107.865","0.001","90","","10298.7","1.2","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C28 H27 Cl2 N3 Pd -","- C28 H27 Cl2 N3 Pd -","- C448 H432 Cl32 N48 Pd16 -","16","2","","Liu, Feng; Li, Guo-Xing","Crystal structure of dichlorido(1,3-bis(2,6-dimethyl-phenyl)-1H-3λ4-imidazol-2-yl)(isoquinolinyl)palladium(IV), C28H27Cl2N3Pd","Zeitschrift für Kristallographie - New Crystal Structures","2016","231","4","1145","1147","10.1515/ncrs-2016-0094","","","0.71073","MoKα","","0.0283","0.0249","","","0.1085","0.1168","","","","","","1.04","","","","has coordinates","282985","2023-05-04","08:17:47",""
"8107127","8.9705","0.001","25.494","0.003","10.2372","0.0012","90","","112.888","0.002","90","","2156.9","0.4","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","5-(4-(1<i>H</i>-tetrazol-5-yl)phenyl)-1<i>H</i>- imidazol-3-ium 7-carboxy-1,3-dioxo-1<i>H</i>,3<i>H</i>-benzo[<i>de</i>] isochromene-6-carboxylate monohydrate","","- C24 H16 N6 O8 -","- C24 H16 N6 O8 -","- C96 H64 N24 O32 -","4","1","","Sheng, Liang-Quan; Xu, Hua-Jie","Crystal structure of 5-(4-(1H-tetrazol-5-yl)phenyl)-1H-imidazol-3-ium 7-carboxy-1,3-dioxo-1H,3H-benzo[de]isochromene-6-carboxylate monohydrate 4,5-anhydride, C24H16N6O8","Zeitschrift für Kristallographie - New Crystal Structures","2016","231","4","1149","1151","10.1515/ncrs-2016-0095","","","0.71073","MoKα","","0.073","0.0467","","","0.1156","0.1296","","","","","","1.031","","","","has coordinates","282986","2023-05-04","08:21:40",""
"8107128","7.4175","0.0011","13.786","0.002","7.4934","0.0011","90","","93.835","0.002","90","","764.54","0.19","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C8 H8 Cd N6 O6 S2 -","- C8 H8 Cd N6 O6 S2 -","- C16 H16 Cd2 N12 O12 S4 -","2","0.5","","Chen, Min-Dong; Zhang, Xing; Xiao, Bo; Chen, Feng-Hua","Crystal structure of poly-[diaqua-bis(μ2-2-((1H-1,2,4-triazol-5-yl)thio)acetato-κ2 N:O) cadmium(II)], C8H8CdN6O6S2","Zeitschrift für Kristallographie - New Crystal Structures","2016","231","4","1153","1154","10.1515/ncrs-2016-0096","","","0.71073","MoKα","","0.0206","0.0193","","","0.0569","0.0581","","","","","","1.077","","","","has coordinates","282987","2023-05-04","08:24:08",""
"8107129","5.5354","0.0007","16.983","0.002","31.211","0.004","90","","91.535","0.008","90","","2933","0.6","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C37 H32 O6 -","- C37 H32 O6 -","- C148 H128 O24 -","4","1","","Kuo, Chen-Miao; Hill, Tania N.; Bezuidenhoudt, Barend C. B.","Crystal Structure of (E)-3-(4-methoxyphenyl)-1-(2,3,4-tris(benzyloxy)-6-hydroxyphenyl)prop-2-en-1-one, C37H32O6","Zeitschrift für Kristallographie - New Crystal Structures","2016","231","4","1155","1157","10.1515/ncrs-2016-0098","","","0.71073","MoKα","","0.181","0.0584","","","0.1255","0.1738","","","","","","0.961","","","","has coordinates","282988","2023-05-04","08:30:56",""
"8107130","8.492","0.018","11.23","0.02","14.75","0.03","68.93","0.02","74.9","0.02","68.35","0.02","1207","4","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H18 F7 N S -","- C26 H18 F7 N S -","- C52 H36 F14 N2 S2 -","2","1","","Zheng, Chunhong; Feng, Erting; Fan, Congbin; Pu, Shouzhi","Structure and photochromism of 1-(1,2-dimethylindol-3-yl)-2-[2-methyl-5-(3-fluorophenyl)-3-thienyl]-3,3,4,4,5,5-hexafluorocyclopent-1-ene, C26H18F7NS","Zeitschrift für Kristallographie - New Crystal Structures","2016","231","4","1159","1161","10.1515/ncrs-2016-0100","","","0.71073","MoKα","","0.0664","0.0511","","","0.1511","0.1643","","","","","","1.046","","","","has coordinates,has disorder","282989","2023-05-04","08:35:56",""
"8107131","8.5804","0.0017","13.79","0.003","13.969","0.003","90","","104.37","0.03","90","","1601.2","0.6","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C5 H5 N5 Ni O3 -","- C5 H5 N5 Ni O3 -","- C40 H40 N40 Ni8 O24 -","8","1","","Youzhu, Yu; Yuhua, Guo; Liguo, Yang; Yongsheng, Niu","Crystal structure of two-dimensional coordination polymer poly-[μ2-azido-aqua-(μ2-pyrazine-2-carboxylato-κ3 O,N:N′)nickel(II)], C5H5N5O3Ni","Zeitschrift für Kristallographie - New Crystal Structures","2016","231","4","1163","1164","10.1515/ncrs-2016-0101","","","0.71073","MoKα","","0.0209","0.0203","","","0.0545","0.055","","","","","","1.004","","","","has coordinates","282990","2023-05-04","08:38:54",""
"8107132","11.8113","0.0007","7.8929","0.0003","21.4129","0.0018","90","","105.012","0.007","90","","1928.1","0.2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C21 H10 F6 N2 O3 -","- C21 H10 F6 N2 O3 -","- C84 H40 F24 N8 O12 -","4","1","","Zhai, Yunhui; Li, Jing","Crystal structure of 2-amino-5-oxo-4-(3,5-bis(trifluoromethyl)phenyl)-4H,5H-pyrano [3,2-c]chromene-3-carbonitrile, C21H10F6N2O3","Zeitschrift für Kristallographie - New Crystal Structures","2016","231","4","1165","1166","10.1515/ncrs-2016-0104","","","0.71073","MoKα","","0.1043","0.0632","","","0.115","0.1347","","","","","","1.09","","","","has coordinates","282991","2023-05-04","08:43:57",""
"8107133","18.264","0.002","11.6302","0.0014","8.9289","0.001","90","","101.683","0.007","90","","1857.3","0.4","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C21 H18 N4 S -","- C21 H18 N4 S -","- C84 H72 N16 S4 -","4","1","","Sun, Guo-Xiang; Sun, Zhao-Hui; Yang, Ming-Yan; Wu, Hong-Ke","Crystal structure of 4-(5-((2-methylbenzyl)thio)-4-phenyl-4H-1,2,4-triazol-3-yl)pyridine, C21H18N4S","Zeitschrift für Kristallographie - New Crystal Structures","2016","231","4","1167","1168","10.1515/ncrs-2016-0106","","","0.71073","MoKα","","0.0781","0.0435","","","0.1013","0.1122","","","","","","1.057","","","","has coordinates","282992","2023-05-04","08:47:42",""
"8107134","9.195","0.0005","23.975","0.0013","9.5514","0.0005","90","","111.136","0.002","90","","1963.96","0.18","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C18 H16 Cl2 N4 O2 S -","- C18 H16 Cl2 N4 O2 S -","- C72 H64 Cl8 N16 O8 S4 -","4","1","","El-Hiti, Gamal A.; Abdel-Wahab, Bakr F.; Alamri, Mesfer; Al-Omar, Mohamed A.; Ghabbour, Hazem A.","Crystal structure of 5-(2-chloro-5-nitrophenyl)-3-(4-chlorophenyl)-N-ethyl-4,5-dihydro-1H-pyrazole-1-carbothioamide, C18H16Cl2N4O2S","Zeitschrift für Kristallographie - New Crystal Structures","2016","231","4","1169","1170","10.1515/ncrs-2016-0109","","","0.71073","MoKα","","0.0735","0.0516","","","0.1271","0.1389","","","","","","1.036","","","","has coordinates","283607","2023-05-09","07:00:17",""
"8107135","9.5719","0.0005","10.7499","0.0006","10.9238","0.0005","95.47","0.004","102.133","0.004","97.962","0.004","1079.3","0.1","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C28 H20 F N3 O S -","- C28 H20 F N3 O S -","- C56 H40 F2 N6 O2 S2 -","2","1","","El-Hiti, Gamal A.; Abdel-Wahab, Bakr F.; Hegazy, Amany S.; Ajarim, Mansour D.; Kariuki, Benson M.","Crystal structure of 4-(benzofuran-2-yl)-2-(3-(4-fluorophenyl)-3,3a,4,5-tetrahydro-2H-benzo[g]indazol-2-yl)thiazole, C28H20FN3OS","Zeitschrift für Kristallographie - New Crystal Structures","2016","231","4","1171","1173","10.1515/ncrs-2016-0113","","","0.71073","MoKα","","0.0683","0.0482","","","0.1006","0.1143","","","","","","1.043","","","","has coordinates","283608","2023-05-09","07:32:41",""
"8107136","9.741","0.0015","15.511","0.002","14.162","0.002","90","","110","0.003","90","","2010.7","0.5","223","2","223","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C40 H36 Co N18 -","- C40 H36 Co N18 -","- C80 H72 Co2 N36 -","2","0.5","","Zhu, Xia; Wang, Yong-feng","Crystal structure of bis(dicyanamido-κ1 N)-tetrakis[1-benzyl-1H-1,2,4-triazole-κ1 N]cobalt(II), CoC40H36N18","Zeitschrift für Kristallographie - New Crystal Structures","2016","231","4","1175","1176","10.1515/ncrs-2016-0115","","","0.7107","MoKα","","0.0458","0.0395","","","0.0838","0.0869","","","","","","1.073","","","","has coordinates","283609","2023-05-09","07:35:33",""
"8107137","9.933","0.002","22.12","0.006","10.487","0.003","90","","90.16","0.007","90","","2304.2","1","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C13 H14 N2 O -","- C13 H14 N2 O -","- C104 H112 N16 O8 -","8","2","","Zhong, Qi-Di; Zhu, Hao; Bai, Shao-Fei; Yan, Hong","Crystal structure of 1-benzyl-6-hydroxy-1,4,5,6-tetrahydropyridine-3-carbonitrile, C13H14N2O","Zeitschrift für Kristallographie - New Crystal Structures","2016","231","4","1177","1178","10.1515/ncrs-2016-0122","","","0.71073","MoKα","","0.0546","0.0452","","","0.0783","0.0808","","","","","","1.048","","","","has coordinates","283610","2023-05-09","07:39:19",""
"8107138","9.4647","0.0007","11.8726","0.0007","12.5732","0.0008","90","","92.262","0.004","90","","1411.76","0.16","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H10 F2 N2 O3 -","- C16 H10 F2 N2 O3 -","- C64 H40 F8 N8 O12 -","4","1","","Zheng, Dongjing; Yang, Yige; Li, Jing","Crystal structure of 2-amino-7-methyl-4-(3,4-difluoro-phenyl)-5-oxo-4H,5H-pyrano[4,3-b]pyran-3-carbonitrile, C16H10F2N2O3","Zeitschrift für Kristallographie - New Crystal Structures","2016","231","4","1179","1180","10.1515/ncrs-2016-0123","","","0.71073","MoKα","","0.0489","0.0459","","","0.1259","0.1285","","","","","","1.047","","","","has coordinates","283611","2023-05-09","07:42:50",""
"8107139","7.1173","0.0004","25.051","0.002","9.3822","0.0008","90","","100.484","0.006","90","","1644.9","0.2","296","2","296","2","","","","","","","","4","P 1 21/a 1","-P 2yab","14","4-[(Benzo[1,3]dioxol-5-ylmethylene)-amino]-1,5-dimethyl-2-phenyl-1,2-dihydro -pyrazol-3-one","4-[(Benzo[1,3]dioxol-5-ylmethylene)-amino]-1,5-dimethyl-2-phenyl-1,2-dihydro -pyrazol-3-one","","- C19 H17 N3 O3 -","- C19 H17 N3 O3 -","- C76 H68 N12 O12 -","4","1","","Aqlan, Faisal M. S.; Nadeem Arshad, Muhammad; Asiri, Abdullah M.; Khan, Khalid A.; Zayed, Mohie E. M.","The crystal structure of 4-[(benzo[1,3]dioxol-5-ylmethylene)-amino]-1,5-dimethyl-2-phenyl-1,2-dihydro-pyrazol-3-one, C19H17N3O3","Zeitschrift für Kristallographie - New Crystal Structures","2016","231","4","1181","1183","10.1515/ncrs-2016-0125","","","0.7107","MoKα","","0.1034","0.0571","","","0.1237","0.1457","","","","","","1.036","","","","has coordinates","283612","2023-05-09","07:50:02",""
"8107140","5.4475","0.0003","12.2779","0.0007","18.0975","0.0011","90","","90","","90","","1210.43","0.12","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H12 N2 O -","- C16 H12 N2 O -","- C64 H48 N8 O4 -","4","1","","Amr, Abd El-Galil E.; Hafez, Naglaa A. Abdel; Ali, Korany A.; Al-Omar, Mohamed A.; Ghabbour, Hazem A.","Crystal structure of 1,4-dihydro-1-phenylchromeno[4,3-c]pyrazole, C16H12N2O","Zeitschrift für Kristallographie - New Crystal Structures","2016","231","4","1185","1187","10.1515/ncrs-2016-0126","","","0.71073","MoKα","","0.0351","0.0326","","","0.0836","0.0855","","","","","","1.075","","","","has coordinates","283613","2023-05-09","07:52:59",""
"8107141","10.0424","0.0005","10.4142","0.0004","18.742","0.001","91.746","0.004","90.169","0.004","100.878","0.004","1923.92","0.16","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C21 H17 N3 O4 S -","- C21 H17 N3 O4 S -","- C84 H68 N12 O16 S4 -","4","2","","Yu, Wen-Bo; Xu, Jun; Zhang, Peng-fei","Crystal structure of N-(5-((3,5-dimethylisoxazol-4-yl)sulfonyl)quinolin-8-yl)benzamide, C21H17N3O4S","Zeitschrift für Kristallographie - New Crystal Structures","2016","231","4","1189","1191","10.1515/ncrs-2016-0127","","","0.71073","MoKα","","0.0744","0.0487","","","0.0896","0.1036","","","","","","1.046","","","","has coordinates","283614","2023-05-09","08:12:35",""
"8107142","13.4768","0.0007","6.9225","0.0003","18.284","0.0008","90","","107.601","0.002","90","","1625.92","0.13","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C21 H16 N2 O2 -","- C21 H16 N2 O2 -","- C84 H64 N8 O8 -","4","1","","El-Agrody, Ahmed M.; Amr, Abd El-Galil E.; Sabry, Nermien M.; Al-Omar, Mohamed A.; Ghabbour, Hazem A.","Crystal structure of 3-amino-9-methoxy-1-phenyl-1H-benzo[f]chromene-2-carbonitrile, C21H16N2O2","Zeitschrift für Kristallographie - New Crystal Structures","2016","231","4","1193","1195","10.1515/ncrs-2016-0128","","","0.71073","MoKα","","0.1188","0.0593","","","0.1245","0.1529","","","","","","1.014","","","","has coordinates","283615","2023-05-09","08:14:55",""
"8107143","48.3041","0.0018","6.054","0.0002","28.5445","0.0011","90","","105.519","0.002","90","","8043","0.5","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C23 H20 F3 N O3 -","- C23 H20 F3 N O3 -","- C368 H320 F48 N16 O48 -","16","2","","Amr, Abd El-Galil E.; Hosni, Hanaa M.; Ghabbour, Hazem A.","Crystal structure of 1,2-bis(4-methoxyphenyl)-2-((3-(trifluoromethyl)phenyl)amino)ethan-1-one, C23H20F3NO3","Zeitschrift für Kristallographie - New Crystal Structures","2016","231","4","1197","1199","10.1515/ncrs-2016-0130","","","0.71073","MoKα","","0.0851","0.0557","","","0.1245","0.1404","","","","","","1.041","","","","has coordinates","283616","2023-05-09","08:17:27",""
"8107144","8.3222","0.0006","10.8926","0.0007","11.6941","0.0008","78.182","0.006","86.96","0.006","76.646","0.006","1009.53","0.12","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C21 H16 N4 O8 -","- C21 H16 N4 O8 -","- C42 H32 N8 O16 -","2","1","","Zhou, Wei-Hua","Crystal structure of 2-amino-4-(2,4-dinitrophenyl)-5-oxo-4H,5H-pyrano[3,2-c]chromene-3-carbonitrile – ethanol (1:1), C21H16N4O8","Zeitschrift für Kristallographie - New Crystal Structures","2016","231","4","1201","1202","10.1515/ncrs-2016-0131","","","0.71073","MoKα","","0.0725","0.0556","","","0.1657","0.185","","","","","","1.079","","","","has coordinates","283617","2023-05-09","08:29:30",""
"8107145","10.6434","0.0004","12.6191","0.0004","12.8532","0.0005","93.998","0.003","109.121","0.003","112.773","0.003","1465.16","0.11","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C31 H27 F N3 O9.5 S Zn -","- C31 H27 F N3 O9.5 S Zn -","- C62 H54 F2 N6 O19 S2 Zn2 -","2","1","","Fan, Zhuo-Wen; Wang, Liang-Liang; Cui, Kuo; Meng, Ying; Liu, Ji-Zhi","Crystal structure of catena-poly-[(1-cyclopropyl-6-fluoro-4-oxo-7-(piperazin-1-ium-1-yl)-1,4-dihydroquinoline-3-carboxylate-κ 2 O,O′)-(μ2-4,4′-sulfonyldibenzoato-κ 4 O,O′:O′′,O′′′)zinc(II)] hemihydrate, C31H27ZnFN3O9.5S","Zeitschrift für Kristallographie - New Crystal Structures","2016","231","4","1203","1205","10.1515/ncrs-2016-0132","","","0.71073","MoKα","","0.0438","0.0354","","","0.0943","0.1012","","","","","","1.032","","","","has coordinates","283618","2023-05-09","08:32:39",""
"8107146","9.599","0.002","14.399","0.003","9.2361","0.0019","90","","100.182","0.002","90","","1256.5","0.5","296","2","296.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C12 H14 Br O4 -","- C12 H13 Br O4 -","- C48 H52 Br4 O16 -","4","1","","Jia, Guo-Kai; Yuan, Lin; Zhang, Min; Yuan, Xian-You; Liu, Fang","Crystal structure of 2-(2-bromophenyl)-5-methyl-1,3-dioxane-5-carboxylic acid, C12H13BrO4","Zeitschrift für Kristallographie - New Crystal Structures","2016","231","4","1207","1208","10.1515/ncrs-2016-0135","","","0.71073","MoKα","","0.0335","0.0285","","","0.0745","0.0779","","","","","","1.09","","","","has coordinates","283619","2023-05-09","08:35:36",""
"8107147","15.894","0.003","7.6064","0.0016","21.571","0.004","90","","90","","90","","2607.9","0.9","296","2","296.15","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C13 H15 Br O4 -","- C13 H15 Br O4 -","- C104 H120 Br8 O32 -","8","1","","Yuan, Lin; Yuan, Xian-You; Li, Zhong-Yan; Zhang, Min","Crystal structure of 2-(2-bromophenyl)-5-ethyl-1,3-dioxane-5-carboxylic acid, C13H15BrO4","Zeitschrift für Kristallographie - New Crystal Structures","2016","231","4","1209","1210","10.1515/ncrs-2016-0136","","","0.71073","MoKα","","0.033","0.0268","","","0.0668","0.0702","","","","","","1.044","","","","has coordinates","283620","2023-05-09","08:39:02",""
"8107148","12.257","0.003","12.451","0.003","17.325","0.003","92.05","0.03","107.04","0.03","93.96","0.03","2517.5","1.1","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","(E)-2,2'-(3-((3-bromophenyl)imino)-5-(tert-butyl)-3H-pyrrolo [3,2,1-ij] cinnoline-2,8-diyl)bis(prop-an-2-ol)","","- C26 H30 Br N3 O2 -","- C26 H30 Br N3 O2 -","- C104 H120 Br4 N12 O8 -","4","2","","Yuan, Yue-Hua; Yin, Qiang-Feng; Tian, Mao-Zhong; Feng, Feng","Crystal structure of 4-(4-((3-bromophenyl)amino)-6-(tert-butyl)-3-(2-hydroxypropan-2-yl)cinnolin-8-yl)-2-methylbut-3-yn-2-ol, C26H30BrN3O2","Zeitschrift für Kristallographie - New Crystal Structures","2016","231","4","1211","1213","10.1515/ncrs-2016-0138","","","0.71073","MoKα","","0.084","0.0722","","","0.1837","0.1929","","","","","","1.084","","","","has coordinates","283621","2023-05-09","08:45:12",""
"8107149","11.7546","0.0016","19.769","0.003","9.5012","0.0013","90","","106.252","0.002","90","","2119.6","0.5","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H19 Cd N5 O4 -","- C22 H19 Cd N5 O4 -","- C88 H76 Cd4 N20 O16 -","4","1","","Xin, Ling-Yun; Li, Xiao-Ling; Liu, Guang-Zhen","Crystal structure poly-(μ2-1-(4-(1H-imidazol-1-yl)benzyl)-1H-1,2,4-triazolyl-κ2 N N 1:N 2 N)-(μ3-2,2′-(1,2-phenylene)diacetato-κ5-O 1,O 2:O 2:O 3,O 4)cadmium(II), C22H19CdN5O4","Zeitschrift für Kristallographie - New Crystal Structures","2016","231","4","1215","1217","10.1515/ncrs-2016-0139","","","0.71073","MoKα","","0.0487","0.0348","","","0.0814","0.0884","","","","","","1.01","","","","has coordinates","283622","2023-05-09","08:47:27",""
"8107150","5.4709","0.0002","10.41","0.0004","17.3373","0.0006","95.014","0.002","92.041","0.002","103.223","0.002","955.96","0.06","296","2","296.15","","","","","","","","","6","P -1","-P 1","2","","","","- C38 H42 Cu F2 N8 O12 -","- C38 H42 Cu F2 N8 O12 -","- C38 H42 Cu F2 N8 O12 -","1","0.5","","Cui, Kuo; Wang, Liang-Liang; Zhang, Wen-Wei; Liu, Fu-Xin; Zhang, Wen-Jun; Fan, Zhuo-Wen","Crystal structure of bis(1-ethyl-6-fluoro-4-oxido-7-(piperazin-1-ium-1-yl)-1,8-naphthyridin-1-ium-3-carboxylate-κ2 O,O′)copper(II) benzene-1, 4-dicarboxylate dihydrate, C38H42F2CuN8O12","Zeitschrift für Kristallographie - New Crystal Structures","2016","231","4","1219","1220","10.1515/ncrs-2016-0140","","","0.71073","MoKα","","0.0413","0.0347","","","0.0971","0.1125","","","","","","1.135","","","","has coordinates","283623","2023-05-09","08:50:14",""
"8107151","10.606","0.001","7.742","0.001","12.845","0.002","90","","90","","90","","1054.7","0.2","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- H2 K Li Mo O5 -","- H2 K Li Mo O5 -","- H16 K8 Li8 Mo8 O40 -","8","1","","Park, Garam; Oh, In-Hwan; Kyeong Yu, Su; Park, Hyun-Min; Kim, Ho-Sung","Redetermination of the crystal structure of potassium lithium molybdate monohydrate, KLiMoO4·H2O","Zeitschrift für Kristallographie - New Crystal Structures","2016","231","4","1221","1222","10.1515/ncrs-2016-0141","","","0.71073","MoKα","","0.0447","0.0333","","","0.0748","0.0795","","","","","","1.179","","","","has coordinates","283624","2023-05-09","08:54:22",""
"8107152","35.652","0.004","14.1314","0.0016","25.141","0.003","90","","105.113","0.002","90","","12228","2","103","2","103","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C60 H51 Cl3 Co2 N16 O16 -","- C60 H51 Cl3 Co2 N16 O16 -","- C480 H408 Cl24 Co16 N128 O128 -","8","2","","Zhang, Ting-Ting; Li, Guan-Nan; Nie, Feng-Mei","Crystal structure of [tris(2-benzimidazolylmethyl)amine-κ3 N](isonicotinate-κO) cobalt(II) [tris(2-benzimidazolylmethyl)amine-κ3 N](isonicotinic acid-κO) cobalt(II) triperchlorate, C60H51N16O16Cl3Co2","Zeitschrift für Kristallographie - New Crystal Structures","2016","231","4","1223","1227","10.1515/ncrs-2016-0142","","","0.71073","MoKα","","0.0905","0.0651","","","0.1501","0.1663","","","","","","1.003","","","","has coordinates,has disorder","283625","2023-05-09","08:58:55",""
"8107153","15.589","0.003","13.118","0.002","29.118","0.005","90","","92.285","0.002","90","","5949.8","1.8","273","2","273","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","tris(μ2-1,3-bis(4,4,4-Trifluoro-3-oxido-1-(oxo)but-2-en-1-yl)phenyl)- bis(1,2-dimethoxyethane-O,O')-di-Cerium(iii)","","- C50 H38 Ce2 F18 O16 -","- C50 H38 Ce2 F18 O16 -","- C200 H152 Ce8 F72 O64 -","4","0.5","","Liu, Yang; Shi, Jing; Hou, YanJun; Chu, WenYi; Sun, ZhiZhong","The crystal structure of tris(μ2-1,3-bis(4,4,4-trifluoro-3-oxido-1-(oxo)but-2-en-1-yl)phenyl-κ4 O,O′:O′′,O′′′)-bis(1,2-dimethoxyethane-κ2 O,O′)dicerium(III), C50H38F18O16Ce2","Zeitschrift für Kristallographie - New Crystal Structures","2016","231","4","1229","1231","10.1515/ncrs-2016-0143","","","0.71073","MoKα","","0.0505","0.0452","","","0.1269","0.1321","","","","","","1.069","","","","has coordinates","283626","2023-05-09","09:11:59",""
"8107154","6.2427","0.0016","9.553","0.002","16.932","0.004","90","","100.094","0.007","90","","994.1","0.4","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C10 H19 N O -","- C10 H19 N O -","- C40 H76 N4 O4 -","4","1","","Yang, Xiao-Li; Wang, Kun-Yan","Crystal structure of 8-isopropyl-8-aza-bicyclo[3.2.1]octan-3-ol, C10H19NO","Zeitschrift für Kristallographie - New Crystal Structures","2016","231","4","1233","1234","10.1515/ncrs-2016-0147","","","0.71073","MoKα","","0.15","0.0596","","","0.0796","0.0941","","","","","","1.038","","","","has coordinates","283627","2023-05-09","09:14:20",""
"8107155","12.7728","0.0019","7.9765","0.0012","20.451","0.003","90","","123.946","0.007","90","","1728.5","0.5","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H19 N O2 -","- C22 H19 N O2 -","- C88 H76 N4 O8 -","4","1","","Wang, Kai; Chen, Qiang; Xiao, Jian","Crystal structure of 2,4-dibenzoyl-N,N-dimethylbenzenamine, C22H19NO2","Zeitschrift für Kristallographie - New Crystal Structures","2016","231","4","1235","1236","10.1515/ncrs-2016-0151","","","0.71073","MoKα","","0.06","0.0492","","","0.141","0.1502","","","","","","1.09","","","","has coordinates","283628","2023-05-09","09:16:50",""
"8107156","10.5972","0.0011","11.0497","0.0012","12.0241","0.0012","89.499","0.004","77.169","0.004","79.758","0.004","1350.2","0.2","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C35 H28 N4 O -","- C35 H28 N4 O -","- C70 H56 N8 O2 -","2","1","","Maluleka, Marole M.; Mphahlele, Malose J.","The crystal structure of 2-(4-methoxyphenyl)-6,8-diphenyl-4-(phenylamino)quinazoline — acetonitrile (1/1), C35H28N4O","Zeitschrift für Kristallographie - New Crystal Structures","2016","231","4","1237","1239","10.1515/ncrs-2016-0166","","","0.71073","MoKα","","0.0843","0.0717","","","0.1494","0.1541","","","","","","1.179","","","","has coordinates","283629","2023-05-09","09:19:31",""
"9017251","10.049","","10.205","","6.083","","91.79","","99.7","","98.02","","607.921","","","","100","","","","","","","","Foote Lithium Company mine, Kings Mountain district, North Carolina, USA","6","P -1","-P 1","2","","","Kayrobertsonite","- Al2 Ca0.03 H14 Mn0.97 O16 P2 -","- Al2 Ca0.03 H14 Mn0.97 O16 P2 -","- Al4 Ca0.06 H28 Mn1.94 O32 P4 -","2","1","","Mills, S. J.; Grey, I. E.; Kampf, A. R.; Birch, W. D.; Macrae, C. M.; Smith, J. B.; Keck, E.","Kayrobertsonite, MnAl2(PO4)2(OH)2*6H2O, a new phosphate mineral related to nordgauite Note: T = 100 K","European Journal of Mineralogy","2016","28","","649","654","","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:53",""
"9017252","25.333","","6.299","","15.161","","90","","90.03","","90","","2419.28","","","","","","","","","","","","Foote Lithium Company mine, Kings Mountain district, North Carolina, USA","8","I 1 2/m 1","-I 2y","12","","","Ferraioloite","- Al1.76 Fe2.24 H44 Mg Mn4 O56 P8 Zn4 -","- Al1.76 Fe2.24 H44 Mg Mn4 O56 P8 Zn4 -","- Al3.52 Fe4.48 H88 Mg2 Mn8 O112 P16 Zn8 -","2","0.25","","Mills, S. J.; Grey, I. E.; Kampf, A. R.; Macrae, C. M.; Smith, J. B.; Davidson, C. J.; Glenn, A. M.","Ferraioloite, MgMn2+4(Fe2+0.5Al3+0.5)4Zn4(PO4)8(OH)4(H2O)20, a new secondary phosphate mineral from the Foote mine, USA","European Journal of Mineralogy","2016","28","","655","661","","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:53",""
"9017253","24.199","","24.199","","7.6476","","90","","90","","120","","3878.38","","","","","","","","","","","","Saint Felix de Pailleres, France","4","R -3 :H","-R 3","148","","","Fibroferrite","- Fe H11 O10 S -","- Fe18 H198 O180 S18 -","- Fe18 H198 O180 S18 -","","","","Ventruti, G.; Ventura, G. D.; Bellatreccia, F.; Lacalamita, M.; Schingaro, E.","Hydrogen bond system and vibrational spectroscopy of the iron sulfate fibroferrite, Fe(OH)SO4*5H2O","European Journal of Mineralogy","2016","28","","943","952","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","07:57:50",""
"9017254","14.975","","7.1645","","9.928","","90","","110.65","","90","","996.725","","","","","","","","","","","","Tom's quarry, South Australia, Australia","9","P 1 2/a 1","-P 2ya","13","","","Jahnsite-(CaFeMg)","- Al0.01 Ca0.7 Fe3.23 H18 Mg1.33 Mn0.59 Na0.17 O26 P4 -","- Al0.01 Ca0.7 Fe3.23 H18 Mg1.33 Mn0.59 Na0.17 O26 P4 -","- Al0.02 Ca1.4 Fe6.46 H36 Mg2.66 Mn1.18 Na0.34 O52 P8 -","2","0.5","","Elliott, P.","Jahnsite-(CaFeMg), a new mineral from Tom's quarry, South Australia: description and crystal structure","European Journal of Mineralogy","2016","28","","991","996","","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:53",""
"9017352","7.6492","","6.1262","","8.9241","","90","","112.195","","90","","387.202","","","","","","","","","","","","Sierra de Cordoba, Argentina","8","P 1 21/m 1","-P 2yb","11","","","Brackebuschite","- As0.02 Fe0.09 H Mn0.82 O9 Pb2 V1.98 Zn0.09 -","- As0.04 Fe0.18 H2 Mn1.64 O18 Pb4 V3.96 Zn0.18 -","- As0.04 Fe0.18 H2 Mn1.64 O18 Pb4 V3.96 Zn0.18 -","","","","Lafuente, B.; Downs, R. T.","Redetermination of brackebuschite, Pb2Mn3+(VO4)2(OH)","Acta Crystallographica, Section E","2016","72","","293","296","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","07:57:57",""
"9017353","9.036","","6.1683","","11.9601","","90","","91.433","","90","","666.409","","","","","","","","","","","","Wessels mine, Northern Cape Province, South Africa","9","C 1 2 1","C 2y","5","","","Ruizite","- Al0.05 Ca1.9 Fe0.07 H8 Mg0.04 Mn1.88 O17 Si4 Sr0.06 -","- Al0.1 Ca3.8 Fe0.14 H16 Mg0.08 Mn3.76 O34 Si8 Sr0.12 -","- Al0.1 Ca3.8 Fe0.14 H16 Mg0.08 Mn3.76 O34 Si8 Sr0.12 -","","","","Fendrich, K. V.; Downs, R. T.; Origlieri, M. J.","Redetermination of ruizite, Ca2Mn3+2[Si4O11(OH)](OH)2*2H2O","Acta Crystallographica, Section E","2016","72","","959","963","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","07:57:57",""
"9017354","6.2059","","7.0635","","7.7516","","93.166","","96.548","","105.883","","323.359","","","","","","","","","","","","Blue Cap mine, San Juan County, Utah, USA","4","P -1","-P 1","2","","","Metarossite","- Ca0.968 H4 O8 V1.885 -","- Ca0.968 H4 O8 V1.885 -","- Ca1.936 H8 O16 V3.77 -","2","1","","Kobsch, A.; Downs, R. T.; Domanik, K. J.","Redetermination of metarossite, CaV5+2O6*2H2O","Acta Crystallographica, Section E","2016","72","","1280","1284","","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:53",""
"9017707","9.8786","","9.8786","","10.8489","","90","","90","","90","","1058.71","","","","","","","","","","","","Lengenbach quarry, Binn Valley, Wallis, Switzerland","9","I -4 2 m","I -4 2","121","","","Ferrostalderite","- Ag0.3 As1.96 Cu0.75 Fe1.36 Hg0.06 S6 Sb0.04 Tl Zn0.53 -","- Ag1.2 As7.84 Cu3 Fe5.44 Hg0.24 S24 Sb0.16 Tl4 Zn2.12 -","- Ag1.2 As7.84 Cu3 Fe5.44 Hg0.24 S24 Sb0.16 Tl4 Zn2.12 -","","","","Biagioni, C.; Bindi, L.; Nestola, F.; Cannon, R.; Roth, P.; Raber, T.","Ferrostalderite, CuFe2TlAs2S6, a new mineral from Lengenbach, Switzerland: occurrence, crystal structure, and emphasis on the role of iron in sulfosalts","Mineralogical Magazine","2016","80","","175","186","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","08:29:03",""
"9017708","6.633","","8.831","","8.773","","90","","96.106","","90","","510.972","","","","","","","","","","","","Monte Falo mine, Coiromonte, Piedmont, Italy","5","P 1 21/n 1","-P 2yn","14","","","Albertiniite","- Fe0.774 H6 Mn0.282 O6 S -","- Fe3.096 H24 Mn1.128 O24 S4 -","- Fe3.096 H24 Mn1.128 O24 S4 -","","","","Vignola, P.; Gatta, G. D.; Rotiroti, N.; Gentile, P.; Hatert, F.; Baijot, M.; Bersani, D.; Risplendente, A.; Pavese, A.","Albertiniite, Fe2+(SO3)*3H2O, a new sulfite mineral species from the Monte Falo Pb-Zn mine, Coiromonte, Armeno Municipality, Verbano Cusio Ossola Province, Piedmont, Italy","Mineralogical Magazine","2016","80","","985","994","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","08:29:03",""
"9017709","5.316","","10.62","","7.118","","107.33","","111.33","","72.22","","348.453","","","","","","","","","","","","Hagendorf Sud pegmatite, Bavaria","8","P -1","-P 1","2","","","Kummerite","- Al0.982 Fe1.368 H18 Mg0.27 Mn0.37 O18 P2 Zn0.03 -","- Al0.982 Fe1.368 H18 Mg0.27 Mn0.37 O18 P2 Zn0.03 -","- Al0.982 Fe1.368 H18 Mg0.27 Mn0.37 O18 P2 Zn0.03 -","","","","Grey, I. E.; Keck, E.; Mumme, W. G.; Pring, A.; Macrae, C. M.; Glenn, A. M.; Davidson, C. J.; Shanks, F. L.; Mills, S. J.","Kummerite, Mn2+Fe3+Al(PO4)2(OH)2*8H2O, a new laueite-group mineral from the Hagendorf Sud pegmatite, Bavaria, with ordering of Al and Fe3+","Mineralogical Magazine","2016","80","","1243","1254","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","08:29:03",""
"9017758","4.918","","6.001","","3.57","","90","","90","","90","","105.361","","","","","","","","","","","","Predborice Deposit, Central Bohemia Region, Czech Republic","3","P n n m","-P 2 2n","58","","","Petricekite","- Cu0.53 Fe0.47 Se2 -","- Cu1.06 Fe0.94 Se4 -","- Cu1.06 Fe0.94 Se4 -","","","","Bindi, L.; Forster, H. J.; Grundmann, G.; Keutsch, F. N.; Stanley, C. J.","Petricekite, CuSe2, a new member of the marcasite group from the Predborice Deposit, Central Bohemia Region, Czech Republic","Minerals","2016","6","","","33","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","08:29:20",""
"9017759","8.9338","","31.891","","8.472","","90","","117.943","","90","","2132.33","","","","","","","","","","","","Pollone mine, Valdicastello Carducci, Pietrasanta, Tuscany, Italy","4","P 1 21/m 1","-P 2yb","11","","","Jordanite","- As3.78 Pb14 S23 Sb2.22 -","- As7.56 Pb28 S46 Sb4.44 -","- As7.56 Pb28 S46 Sb4.44 -","","","","Biagioni, C.; Dini, A.; Orlandi, P.; Moelo, Y.; Pasero, M.; Zaccarini, F.","Lead-antimony sulfosalts from Tuscany (Italy). XX. Members of the jordanite-geocronite series from the Pollone mine, Valdicastello Carducci: Occurrence and crystal structures Note: Sb-bearing jordanite","Minerals","2016","6","","","doi:10.3390","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","08:29:20",""
"9017760","8.9554","","31.9228","","8.4937","","90","","117.981","","90","","2144.34","","","","","","","","","","","","Pollone mine, Valdicastello Carducci, Pietrasanta, Tuscany, Italy","4","P 1 21/m 1","-P 2yb","11","","","Jordanite","- As1.067 Pb4.667 S7.667 Sb0.933 -","- As6.404 Pb28 S46 Sb5.596 -","- As6.404 Pb28 S46 Sb5.596 -","","","","Biagioni, C.; Dini, A.; Orlandi, P.; Moelo, Y.; Pasero, M.; Zaccarini, F.","Lead-antimony sulfosalts from Tuscany (Italy). XX. Members of the jordanite-geocronite series from the Pollone mine, Valdicastello Carducci: Occurrence and crystal structures Note: Sb-rich jordanite","Minerals","2016","6","","","doi:10.3390","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","08:29:20",""
"9017761","8.972","","31.953","","8.4888","","90","","117.964","","90","","2149.45","","","","","","","","","","","","Pollone mine, Valdicastello Carducci, Pietrasanta, Tuscany, Italy","4","P 1 21/m 1","-P 2yb","11","","","Geocronite","- As0.847 Pb4.667 S7.667 Sb1.153 -","- As5.08 Pb28 S46 Sb6.92 -","- As5.08 Pb28 S46 Sb6.92 -","","","","Biagioni, C.; Dini, A.; Orlandi, P.; Moelo, Y.; Pasero, M.; Zaccarini, F.","Lead-antimony sulfosalts from Tuscany (Italy). XX. Members of the jordanite-geocronite series from the Pollone mine, Valdicastello Carducci: Occurrence and crystal structures Note: As-bearing geocronite","Minerals","2016","6","","","doi:10.3390","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","08:29:20",""
"9017873","13.2197","","13.2197","","5.8591","","90","","90","","120","","886.757","","","","","","","","","","","","Yavapai County, Arizona, USA","14","P 63/m","-P 6c","176","","","Petersite-(Ce)","- Ca0.42 Ce0.18 Cu6 Dy0.01 Gd0.03 H12 La0.12 Nd0.09 O21 P2.85 Pr0.02 Si0.15 Sm0.01 Y0.16 -","- Ca0.42 Ce0.18 Cu6 Dy0.01 Gd0.03 H12 La0.12 Nd0.09 O21 P2.85 Pr0.02 Si0.15 Sm0.01 Y0.16 -","- Ca0.84 Ce0.36 Cu12 Dy0.02 Gd0.06 H24 La0.24 Nd0.18 O42 P5.7 Pr0.04 Si0.3 Sm0.02 Y0.32 -","2","0.166667","","Morrison, S. M.; Domanik, K. J.; Yang, H.; Downs, R. T.","Petersite-(Ce), Cu2+6Ce(PO4)3(OH)6*3H2O, a new mixite group mineral from Yavapai County, Arizona, USA","The Canadian Mineralogist","2016","54","","1505","1511","","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:53",""
"9017881","6.91","","7.634","","7.643","","90","","118","","90","","355.983","","","","","","","","","","","","Synthetic","4","C 1 2/c 1","-C 2yc","15","","","Kieserite","- H2 Mg O5 S -","- H8 Mg4 O20 S4 -","- H8 Mg4 O20 S4 -","","","","Bechtold, A.; Wildner, M.","Crystal chemistry of the kieserite-cobaltkieserite solid solution, Mg1-xCox(SO4)*H2O: well-behaved oddities","European Journal of Mineralogy","2016","28","","43","52","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","08:29:28",""
"9017882","6.929","","7.623","","7.641","","90","","118.19","","90","","355.724","","","","","","","","","","","","Synthetic","5","C 1 2/c 1","-C 2yc","15","","","Kieserite","- Co0.279 H2 Mg0.721 O5 S -","- Co1.116 H8 Mg2.884 O20 S4 -","- Co1.116 H8 Mg2.884 O20 S4 -","","","","Bechtold, A.; Wildner, M.","Crystal chemistry of the kieserite-cobaltkieserite solid solution, Mg1-xCox(SO4)*H2O: well-behaved oddities Note: sample Mg0.76Co0.28","European Journal of Mineralogy","2016","28","","43","52","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","08:29:28",""
"9017883","6.943","","7.614","","7.639","","90","","118.33","","90","","355.461","","","","","","","","","","","","Synthetic","5","C 1 2/c 1","-C 2yc","15","","","Cobaltkieserite","- Co0.509 H2 Mg0.491 O5 S -","- Co2.036 H8 Mg1.964 O20 S4 -","- Co2.036 H8 Mg1.964 O20 S4 -","","","","Bechtold, A.; Wildner, M.","Crystal chemistry of the kieserite-cobaltkieserite solid solution, Mg1-xCox(SO4)*H2O: well-behaved oddities Note: sample Mg0.49Co0.51","European Journal of Mineralogy","2016","28","","43","52","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","08:29:28",""
"9017884","6.963","","7.601","","7.633","","90","","118.5","","90","","355.027","","","","","","","","","","","","Synthetic","5","C 1 2/c 1","-C 2yc","15","","","Cobaltkieserite","- Co0.858 H2 Mg0.142 O5 S -","- Co3.432 H8 Mg0.568 O20 S4 -","- Co3.432 H8 Mg0.568 O20 S4 -","","","","Bechtold, A.; Wildner, M.","Crystal chemistry of the kieserite-cobaltkieserite solid solution, Mg1-xCox(SO4)*H2O: well-behaved oddities Note: sample Mg0.14Co0.86","European Journal of Mineralogy","2016","28","","43","52","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","08:29:28",""
"9017885","6.97","","7.595","","7.632","","90","","118.58","","90","","354.787","","","","","","","","","","","","Synthetic","4","C 1 2/c 1","-C 2yc","15","","","Cobaltkieserite","- Co H2 O5 S -","- Co4 H8 O20 S4 -","- Co4 H8 O20 S4 -","","","","Bechtold, A.; Wildner, M.","Crystal chemistry of the kieserite-cobaltkieserite solid solution, Mg1-xCox(SO4)*H2O: well-behaved oddities","European Journal of Mineralogy","2016","28","","43","52","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","08:29:28",""
"9017912","10.4983","","17.8372","","7.1154","","90","","100.125","","90","","1311.68","","","","","","","","","","","","Nuevo Cuyo, Argentina","7","P 1 21/n 1","-P 2yn","14","","","Botryogen","- Fe H15 Mg0.773 Mn0.047 O16 S2 Zn0.165 -","- Fe4 H60 Mg3.092 Mn0.188 O64 S8 Zn0.66 -","- Fe4 H60 Mg3.092 Mn0.188 O64 S8 Zn0.66 -","","","","Majzlan, J.; Plasil, J.; Dachs, E.; Benisek, A.; Koch, C. B.","Crystal chemistry, Mossbauer spectroscopy. and thermodynamic properties of botryogen","Neues Jahrbuch fur Mineralogie, Abhandlungen","2016","193","","147","159","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","08:29:29",""